#DEFINITION	Reference Metabolome for Solidago canadensis
#IDENTTFIER	RefMeta-Solidago canadensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Solidago canadensis
#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 Solidago canadensis was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.52
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49892	3.0
69.50299	0.6
71.01275	39.2
71.04889	0.6
72.99185	1.8
73.02448	0.5
73.02842	10.3
75.00784	0.7
81.03362	0.6
83.01281	6.7
83.04920	0.8
85.02848	15.6
86.88509	0.5
87.00770	2.7
87.04408	3.5
89.02342	14.7
89.02895	0.8
93.03355	2.3
93.82199	0.4
95.01288	3.0
95.46082	0.4
96.95935	0.5
97.02880	2.1
98.20512	0.7
99.00780	4.7
101.02351	29.3
101.05988	6.5
102.02672	0.4
108.02096	0.9
109.02859	0.6
111.00790	1.5
113.02361	21.0
119.03416	6.5
119.04963	1.2
123.00771	0.8
125.02335	1.9
129.01814	0.5
131.03445	1.1
133.02876	0.8
134.03703	0.7
135.04417	1.5
138.03140	0.5
139.00349	0.5
143.03432	2.8
144.18358	0.4
145.02852	1.1
149.04536	0.8
152.01044	0.6
153.01836	0.9
153.05524	0.9
155.03386	0.6
159.02983	2.2
161.02510	2.8
161.04514	10.9
162.03119	1.4
163.03995	1.2
165.05467	0.5
168.04160	0.6
170.30618	0.5
173.04515	1.1
176.01100	0.8
177.01820	0.6
179.03439	1.0
179.05606	2.6
191.03603	0.9
191.05582	6.4
192.04254	1.1
192.05899	0.9
193.01344	0.7
193.05075	1.2
193.74159	0.4
195.08150	1.1
207.06653	0.9
208.03726	0.8
223.06100	1.8
227.07529	0.4
255.19719	2.4
269.08221	0.4
297.20770	1.8
315.19513	0.6
333.20908	2.9
341.75540	0.4
351.21664	1.3
381.22968	1.1
399.23969	94.6
400.24274	9.7
417.25046	56.4
418.25327	6.2
459.26117	100.0
460.26489	9.3
477.11740	0.5
495.26138	9.7
496.26489	1.2
502.26730	0.6
537.14191	1.2
553.13647	1.5
641.23639	0.5
819.29102	0.7
999.34802	2.0
1000.36401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52322	0.3
69.52729	0.6
70.92702	0.1
71.01268	2.4
73.02835	2.2
75.00752	0.4
81.03365	0.2
83.01287	0.9
85.02856	0.7
89.02358	0.3
90.86480	0.1
93.03354	0.3
96.95898	0.2
97.02848	2.0
97.06481	0.5
98.19855	0.2
99.00809	0.2
101.02353	2.4
109.02853	0.3
111.04484	0.2
113.02364	0.8
119.03439	0.2
119.04939	0.2
119.31318	0.1
121.06490	0.3
123.00818	0.2
123.08097	0.8
125.02399	0.2
127.07572	5.2
128.07973	0.1
131.03400	0.2
135.04434	0.2
143.03423	0.2
145.06502	0.2
145.10164	0.1
146.07315	0.2
147.08092	1.2
149.04430	0.5
151.59123	0.1
155.03418	0.2
159.08141	0.2
159.11671	0.3
161.02426	0.2
161.04498	0.9
161.09686	1.7
161.13290	0.1
163.03914	0.5
163.07600	0.4
163.11221	2.3
165.05511	0.1
165.09146	0.4
171.08041	0.2
173.09766	0.2
175.07677	0.1
175.11269	0.2
177.05591	0.2
185.09627	0.1
187.07645	0.4
188.08405	0.1
189.05550	0.3
189.09248	0.3
191.05679	0.6
191.07104	15.0
192.07483	0.7
197.06104	0.1
201.09180	1.2
202.09856	0.3
203.05576	0.4
203.10770	1.2
203.14365	0.4
204.11470	0.2
205.08687	11.7
206.09239	1.0
207.10220	0.3
221.06366	0.2
221.08331	1.3
229.08727	0.7
233.07986	0.1
241.15820	0.1
243.13899	0.2
260.84845	0.2
269.19180	1.0
270.19327	0.2
285.18768	0.3
287.20258	0.5
313.14462	0.2
313.18173	3.8
314.18399	0.3
327.19858	0.4
329.17615	0.7
329.21310	0.7
330.18008	0.5
331.19223	100.0
332.19556	8.3
345.20728	0.9
347.18698	0.2
348.18857	0.2
349.20279	37.7
350.20599	3.8
355.19275	0.6
363.21808	1.3
373.20288	8.4
374.20648	0.8
385.20483	0.3
391.21387	4.5
392.21741	0.4
403.21249	0.4
415.21268	0.8
421.22754	0.4
433.22430	0.2
475.23584	0.9
493.24673	0.3
553.13495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03352	2.0
69.40907	4.3
69.41341	4.0
71.01270	40.7
72.99220	2.0
73.02831	14.7
75.00759	2.1
78.95786	1.1
81.03348	1.1
83.01279	6.4
85.02841	21.4
87.00766	2.3
89.02341	12.9
90.36247	1.0
93.03358	5.0
95.01297	3.0
96.95925	7.2
97.02872	3.3
98.19869	2.5
99.00772	4.0
101.02354	30.5
108.02083	26.2
109.02903	6.3
111.00761	1.3
111.04438	1.4
113.02361	21.6
119.03450	5.7
119.04929	3.7
121.02889	1.6
123.04433	1.0
123.08074	1.3
125.02379	2.1
127.07571	9.1
133.02869	3.4
134.03658	4.1
135.04475	7.3
136.01553	1.0
136.04655	1.1
137.02377	1.8
139.03923	1.7
143.03427	3.9
147.08060	1.2
149.04465	3.7
152.01089	47.3
153.01630	2.4
153.05539	1.2
155.03430	1.1
159.02888	1.1
161.02417	8.1
161.04492	15.5
161.09624	1.5
163.03938	4.6
163.11293	1.5
173.04520	5.7
173.05791	1.3
175.03917	1.7
177.01930	1.8
179.03491	5.6
179.05548	3.5
191.05560	21.8
191.07124	12.5
192.05901	1.5
193.04942	1.7
195.06673	1.3
203.10709	1.2
205.08679	9.7
206.09288	1.1
207.10202	1.0
221.06505	1.7
221.08408	1.4
242.37569	1.1
256.09491	1.3
267.41110	1.0
271.02692	5.4
299.02054	9.8
300.02615	1.6
313.03665	1.7
313.18167	5.0
315.07593	1.3
329.17639	2.3
329.21362	1.4
331.19220	100.0
332.19580	11.9
337.03421	1.1
337.09369	1.9
339.05307	2.2
347.18738	2.9
349.20270	81.1
350.20520	7.9
351.21094	1.5
353.08826	1.8
354.09064	1.0
371.18671	1.6
373.20309	7.0
381.22845	1.5
391.21313	3.6
399.23914	19.1
400.24332	1.6
429.10403	3.9
439.23456	2.4
440.23627	2.5
441.25037	63.9
442.25696	6.3
447.11597	7.5
480.77249	1.0
485.24701	1.8
513.10315	2.3
672.79950	1.2
911.39374	1.4
953.40546	40.7
954.40820	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	995.6134
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51772	0.2
71.52125	0.1
78.95794	44.7
96.96861	3.2
99.04461	0.2
100.94369	0.1
115.81647	0.1
122.00034	0.2
140.01125	2.2
140.64961	0.1
152.99525	9.6
171.00592	9.4
172.55327	0.1
195.80960	0.1
196.03795	0.9
214.04852	3.1
261.22299	0.4
273.22351	0.1
279.23343	100.0
280.23672	7.2
303.61328	0.1
353.54971	0.1
402.24268	1.5
403.24631	0.2
453.75079	0.1
467.81683	0.1
475.34644	0.1
476.27914	92.7
477.28253	8.9
1020.99597	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5971
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03351	3.0
70.60685	0.3
70.61058	0.4
71.01272	21.9
71.04919	0.2
72.01614	0.3
72.99202	1.8
73.02834	3.4
75.00760	0.7
81.03349	1.0
83.01277	2.6
83.04916	0.3
85.02845	5.3
85.44397	0.2
86.00007	0.3
87.00775	5.2
87.04415	0.3
89.02338	20.1
90.02675	0.4
91.03907	0.6
95.01283	1.4
95.04965	0.3
97.02856	4.0
99.00772	1.8
99.04418	0.4
101.02349	19.2
102.02665	0.4
103.00278	0.4
109.02834	0.3
111.00807	0.5
111.04427	1.0
113.02362	9.3
115.03912	0.5
119.02579	0.3
119.03422	5.6
121.02892	0.4
124.01622	0.2
125.02371	8.7
126.02675	0.3
129.01917	0.2
131.03429	0.8
133.04996	0.8
139.03970	0.7
141.01926	0.3
143.03442	3.2
149.02480	0.2
149.04485	0.5
161.04506	4.1
167.03421	0.3
169.05026	0.3
179.05585	4.1
185.04515	0.4
199.06143	0.4
217.07198	0.5
219.05138	0.2
221.06688	1.6
233.22716	0.2
235.08252	9.6
236.08542	0.5
245.06767	0.6
253.09329	1.3
263.07797	0.9
272.19699	0.2
275.20175	0.2
275.23907	0.3
277.21783	59.8
278.22116	4.6
287.07761	3.1
288.08304	0.2
289.10309	0.2
305.08871	3.9
306.09174	0.2
319.22855	11.0
320.23035	0.9
323.09894	1.1
379.12515	0.5
397.13593	100.0
398.13919	6.4
415.14667	30.8
416.15009	1.8
644.53442	0.2
675.36127	9.7
676.36310	1.5
988.45087	0.2
1007.81818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03352	0.6
71.01273	4.5
71.01665	0.3
71.57438	0.3
72.99202	0.3
73.02840	1.1
75.00793	0.1
79.84779	0.1
81.03349	0.9
83.01283	0.6
83.04923	1.2
84.25485	0.2
85.02847	2.4
87.00771	1.1
89.00218	0.1
89.02346	1.5
93.03359	10.8
94.03696	0.6
95.01305	0.3
97.02859	0.9
97.06503	0.1
99.00800	0.5
99.04456	0.2
101.02358	2.3
107.04938	0.1
109.02866	0.8
111.00794	0.4
111.03264	0.1
111.04430	4.7
113.02369	1.8
117.03378	4.7
119.04947	69.7
120.05264	2.4
121.02888	0.5
122.68623	0.1
125.02367	0.2
127.03913	0.9
127.07573	1.0
129.01883	0.4
133.02881	0.4
134.03688	0.7
135.04483	0.7
137.02390	1.9
143.03438	0.3
145.02890	22.0
146.03214	0.8
149.04488	0.1
150.03157	0.2
155.03445	6.2
156.03795	0.2
161.02405	0.3
161.04485	0.7
163.03958	100.0
164.04288	4.1
165.05519	0.3
173.04515	33.7
174.04860	1.4
177.01819	0.3
178.02672	0.5
179.03461	0.3
179.05565	0.2
191.05589	12.5
191.07138	1.4
192.05922	0.4
193.05023	0.1
198.04427	0.1
203.05724	0.2
205.08652	1.2
211.07608	0.4
221.08282	0.2
237.09048	0.1
278.37823	0.1
299.02020	0.2
309.07333	0.2
313.18314	0.9
319.08289	34.3
320.08655	2.4
327.08850	0.2
331.19229	8.9
332.19479	0.8
337.09363	67.3
338.09714	4.6
349.20251	6.6
350.20651	0.4
360.14301	0.2
363.21561	0.2
373.20340	0.3
391.21033	0.2
397.22424	1.7
439.23486	7.3
440.23907	0.5
449.14703	0.2
450.15768	0.2
481.17291	0.9
482.17627	1.1
483.12979	13.5
483.63400	0.5
484.13577	1.5
511.25586	1.4
623.14996	0.2
995.38721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	0.2
69.43732	0.6
69.44154	0.3
71.01270	1.3
71.04916	0.3
73.02831	0.5
75.00764	0.1
81.03339	0.5
83.01261	0.2
83.04923	0.7
83.81345	0.1
85.02844	1.7
87.00767	1.5
89.02328	0.3
91.97230	0.1
93.03358	8.4
94.03685	0.5
97.02866	0.3
99.00796	0.2
99.04425	0.2
101.02357	0.4
109.02880	0.3
111.00816	0.1
111.04429	3.5
112.04734	0.1
113.02368	0.4
117.03373	2.0
119.04944	54.5
120.05280	1.9
121.02866	0.3
123.08087	0.6
125.02322	0.1
127.03935	0.7
127.07560	0.2
129.01823	0.2
133.02875	0.1
134.03656	0.3
135.04500	0.5
137.02354	0.8
143.03458	0.1
145.02887	7.3
145.27960	0.1
146.03217	0.3
150.78204	0.1
155.02188	0.2
155.03441	3.6
156.03758	0.2
161.04500	0.2
163.03955	100.0
164.04291	4.3
164.05693	0.1
173.04507	15.9
174.04874	0.8
179.03424	0.1
189.09209	0.2
191.05582	22.2
192.05913	0.7
205.08644	0.1
211.07680	0.3
219.13774	0.1
234.09013	0.1
257.08276	0.1
263.12781	0.1
265.08707	0.1
285.03931	0.1
309.07727	0.2
319.08289	17.1
320.08582	1.2
327.08734	0.3
329.17676	1.5
330.17868	0.2
337.09354	73.2
338.09714	5.2
338.12833	0.1
338.13889	0.2
347.18668	1.8
348.18881	0.1
371.18845	0.2
389.19858	0.1
410.11176	0.3
420.66101	0.1
439.23529	0.5
450.14471	0.1
457.92654	0.1
461.12997	0.1
481.17294	0.9
482.17581	1.1
483.12970	15.7
483.62671	0.2
484.13394	1.8
491.21490	0.2
669.29523	1.2
670.29626	0.2
711.29749	0.1
733.39081	0.1
993.39453	1.0
994.40601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58725	0.2
71.59117	0.3
80.54185	0.2
83.01277	0.3
89.49160	0.1
93.03369	0.4
103.37752	0.1
107.01298	1.4
108.02097	0.4
109.02861	0.8
121.02853	1.1
125.02336	0.2
134.03590	0.2
135.00719	0.3
135.04445	0.7
137.02327	0.2
142.76794	0.2
148.01643	0.4
149.02429	0.2
150.99133	0.3
151.00323	5.8
151.01538	0.4
152.00974	0.2
153.01894	0.2
159.04395	0.3
161.02399	0.3
163.00359	1.4
164.01122	0.3
165.01830	0.2
169.01387	0.5
173.02324	0.2
173.04559	0.2
178.99823	2.8
179.03430	0.9
183.04500	0.3
187.03929	0.2
189.05969	0.2
190.99834	0.3
191.03862	0.2
191.05598	1.9
199.03947	0.4
211.03972	0.6
216.04233	0.2
226.02692	0.7
227.03529	1.2
229.05138	0.3
239.03586	0.2
243.03015	5.0
244.03493	0.4
245.04504	0.8
254.02237	1.3
255.03018	14.2
256.03464	1.2
271.02539	27.5
272.02969	2.9
273.04001	0.5
283.02466	0.5
284.03021	0.2
299.01935	1.0
300.02820	51.5
301.03537	22.1
302.03961	1.4
311.01575	0.2
343.04874	0.4
353.08884	1.6
403.71487	0.2
609.14740	100.0
610.15082	12.6
618.31708	0.2
633.31525	0.2
675.19940	0.2
772.66803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60824	0.2
70.79111	0.4
71.01269	28.1
72.01594	0.5
72.99192	1.1
73.02825	0.4
75.00755	0.3
83.01292	0.7
84.01591	0.2
84.02039	1.1
85.02843	43.2
86.03197	0.7
87.00772	1.6
89.02337	10.4
90.02690	0.3
93.03360	0.5
94.42021	0.2
95.01283	15.9
96.01659	0.2
96.95922	0.6
97.02850	0.5
99.00774	0.7
101.02341	1.4
111.00797	0.3
112.01591	0.3
113.02356	81.6
114.02688	2.0
125.02344	0.6
127.03941	0.3
131.03452	1.0
138.88963	0.2
139.00299	1.0
143.03433	2.5
149.04486	0.9
161.04504	16.1
162.04855	0.3
165.01862	0.2
191.05579	1.2
195.06639	0.4
311.09991	1.3
331.19232	0.3
434.56104	0.3
439.32275	2.2
497.27261	0.3
795.41919	0.8
799.35883	0.3
836.87659	0.3
917.90143	0.4
927.46161	100.0
928.46533	25.2
960.41815	0.6
960.91986	0.4
961.42157	0.4
989.92438	0.4
991.42346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5922
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	0.9
71.00905	0.5
71.01274	8.0
71.59441	0.4
71.59865	0.4
72.99202	0.8
73.02829	1.5
75.00732	0.3
81.03330	0.5
83.01258	1.2
83.04914	0.4
85.02838	2.1
87.00760	2.0
89.02333	6.9
90.53822	0.3
91.92863	0.3
93.03329	0.3
95.01270	0.4
97.02859	1.7
97.06486	0.3
99.00790	0.6
99.08040	1.1
101.01704	0.4
101.02346	6.7
102.08620	0.2
107.21439	0.2
111.04418	0.6
111.08048	0.5
112.38078	0.2
112.87409	0.3
113.02359	2.6
113.09622	0.9
118.97259	0.3
119.03380	2.0
123.08053	0.5
125.02373	2.6
125.09653	1.1
127.11215	1.9
129.09149	2.0
131.03429	0.3
133.02805	0.3
133.04893	0.3
135.04411	0.3
137.09618	0.4
139.11209	3.3
143.03467	1.4
151.11209	0.4
153.09138	0.6
155.10680	1.0
161.02380	0.5
161.04466	1.7
163.11346	0.3
165.09224	0.4
167.10632	0.4
169.12286	0.9
171.10220	18.0
172.10559	0.7
177.12695	0.3
179.03421	0.3
179.05576	1.5
181.12329	1.8
181.13791	0.3
183.10254	1.2
183.13861	1.0
185.11772	2.5
191.05528	0.4
193.12328	0.4
195.13834	0.3
195.35100	0.3
197.11810	3.5
199.13332	1.5
201.11319	3.5
211.11452	0.5
211.13388	6.0
217.07185	0.3
221.06609	0.7
223.37019	0.2
235.08212	3.3
245.06653	0.5
253.09322	0.8
263.07648	0.6
265.21698	0.5
275.20139	1.4
277.21777	20.2
278.22205	1.3
280.78488	0.3
287.07791	1.3
293.21274	8.3
294.21671	0.6
305.08804	1.4
309.20728	0.3
311.22339	100.0
312.22699	6.9
323.09760	0.5
397.13586	38.6
398.13846	1.9
415.14676	12.4
416.15070	0.7
515.27600	0.3
675.36115	2.4
676.36426	0.5
686.34344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5922
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	0.9
71.00905	0.5
71.01274	8.0
71.59441	0.4
71.59865	0.4
72.99202	0.8
73.02829	1.5
75.00732	0.3
81.03330	0.5
83.01258	1.2
83.04914	0.4
85.02838	2.1
87.00760	2.0
89.02333	6.9
90.53822	0.3
91.92863	0.3
93.03329	0.3
95.01270	0.4
97.02859	1.7
97.06486	0.3
99.00790	0.6
99.08040	1.1
101.01704	0.4
101.02346	6.7
102.08620	0.2
107.21439	0.2
111.04418	0.6
111.08048	0.5
112.38078	0.2
112.87409	0.3
113.02359	2.6
113.09622	0.9
118.97259	0.3
119.03380	2.0
123.08053	0.5
125.02373	2.6
125.09653	1.1
127.11215	1.9
129.09149	2.0
131.03429	0.3
133.02805	0.3
133.04893	0.3
135.04411	0.3
137.09618	0.4
139.11209	3.3
143.03467	1.4
151.11209	0.4
153.09138	0.6
155.10680	1.0
161.02380	0.5
161.04466	1.7
163.11346	0.3
165.09224	0.4
167.10632	0.4
169.12286	0.9
171.10220	18.0
172.10559	0.7
177.12695	0.3
179.03421	0.3
179.05576	1.5
181.12329	1.8
181.13791	0.3
183.10254	1.2
183.13861	1.0
185.11772	2.5
191.05528	0.4
193.12328	0.4
195.13834	0.3
195.35100	0.3
197.11810	3.5
199.13332	1.5
201.11319	3.5
211.11452	0.5
211.13388	6.0
217.07185	0.3
221.06609	0.7
223.37019	0.2
235.08212	3.3
245.06653	0.5
253.09322	0.8
263.07648	0.6
265.21698	0.5
275.20139	1.4
277.21777	20.2
278.22205	1.3
280.78488	0.3
287.07791	1.3
293.21274	8.3
294.21671	0.6
305.08804	1.4
309.20728	0.3
311.22339	100.0
312.22699	6.9
323.09760	0.5
397.13586	38.6
398.13846	1.9
415.14676	12.4
416.15070	0.7
515.27600	0.3
675.36115	2.4
676.36426	0.5
686.34344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62380	0.7
71.01269	1.0
73.02839	0.4
77.03845	0.1
83.01259	0.1
85.02849	0.6
89.03882	0.2
93.03361	0.1
96.95905	0.2
98.19796	0.2
101.02362	0.6
104.02593	0.2
105.03364	0.5
107.04922	0.2
113.02357	0.3
115.01785	0.2
117.03385	0.5
121.02872	0.1
123.04443	0.3
132.02084	2.0
132.17097	0.1
133.02882	33.2
134.03273	1.1
135.04453	8.0
136.04759	0.3
136.43170	0.1
137.02357	0.7
139.03915	0.2
150.03085	0.1
159.04457	0.5
160.01619	0.2
161.02390	100.0
162.02728	4.1
163.04065	0.1
175.03937	0.1
178.02670	0.3
179.03461	5.1
180.03839	0.2
191.05574	0.1
201.01941	0.1
203.03487	0.5
299.02118	0.1
493.20926	4.2
494.21295	0.5
535.21942	77.2
536.22290	11.5
561.19989	0.1
579.20203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03335	1.4
69.83300	1.1
69.83698	1.4
71.01267	40.6
72.99195	2.2
73.02834	16.2
81.03358	0.6
83.01276	8.4
85.02840	17.1
86.62661	0.6
87.00752	4.4
89.02338	15.7
93.03351	1.7
95.01269	3.4
97.02850	10.9
97.06485	0.8
98.20530	0.9
99.00774	4.2
101.02349	30.9
109.02876	0.9
111.04439	0.8
113.02353	29.1
117.03341	0.7
119.03418	5.2
125.02349	1.7
125.09647	0.7
131.03397	1.8
137.02303	0.6
143.03444	5.7
145.02832	0.8
149.04478	1.6
159.02948	1.6
160.01550	0.5
161.04501	27.0
163.03952	0.8
163.11237	0.8
165.09172	1.3
173.04500	1.2
179.05565	1.4
189.09142	0.6
191.05537	0.9
191.10760	1.5
203.05544	1.1
221.06699	1.0
238.89044	0.5
263.16357	0.6
287.20383	0.7
297.18747	0.8
299.01895	0.9
303.19818	1.2
305.21390	2.4
313.16666	2.3
315.19693	8.3
316.19781	0.7
319.36072	0.6
331.19217	1.4
333.20752	34.6
334.21130	3.3
349.20309	1.1
351.46091	0.6
355.17697	1.6
357.20657	0.8
375.22040	1.0
417.22766	0.6
429.22760	1.6
429.28421	0.5
477.25027	57.8
478.25269	7.1
495.26096	34.3
496.26404	3.7
537.27148	100.0
538.27478	12.9
770.20831	0.6
844.65021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	0.2
71.01268	3.3
71.55714	0.1
72.99218	0.2
73.02834	1.4
77.00515	0.1
81.03352	0.1
83.01281	0.7
85.02842	1.8
87.00757	0.3
89.02332	0.8
89.03863	0.4
91.05429	0.5
93.03372	0.8
94.03667	0.2
95.01281	0.2
97.02852	0.2
99.00813	0.7
101.02354	2.7
102.02668	0.1
105.03371	0.3
106.04147	0.2
107.01290	0.3
107.04929	1.5
108.02086	0.2
109.02888	0.5
113.02341	1.3
115.03914	0.2
117.03385	1.3
119.04951	0.2
121.02922	0.2
123.04436	0.2
125.02307	0.2
131.03415	0.2
132.02092	0.8
133.02882	14.6
134.03687	5.3
135.04446	81.3
136.04784	3.1
137.02386	0.4
143.03424	0.2
143.04936	0.2
147.04448	0.1
149.04501	0.1
151.00269	0.2
151.03903	0.2
152.01053	0.1
159.02908	0.3
159.04332	0.1
161.02388	45.6
161.04553	1.6
162.02722	2.1
163.04074	0.1
171.04422	0.5
172.04861	0.2
173.04510	0.4
175.04007	0.3
177.01930	0.1
179.03458	51.1
180.03795	2.3
183.04388	0.1
187.03960	0.3
191.05583	2.0
192.05980	0.2
199.03993	1.5
200.04291	0.3
201.01910	0.3
215.03416	0.6
215.05458	0.2
226.02675	0.2
227.03513	0.6
228.03880	0.2
229.01364	0.2
233.06596	0.2
242.02263	0.2
243.03001	1.1
244.03406	0.3
255.03113	0.3
269.10410	0.9
271.02527	10.2
272.02859	2.7
273.03110	0.5
299.02026	32.5
300.02399	9.1
301.02631	1.5
331.17834	0.2
339.05103	0.2
351.07288	0.2
353.08743	0.2
373.18533	0.3
401.14499	0.2
563.17792	100.0
564.18146	14.0
718.09265	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	981.363
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03376	0.1
71.01268	4.4
72.99184	0.1
73.02831	2.2
75.00755	0.2
78.95770	0.2
79.85492	0.1
83.01270	0.6
85.02839	2.2
87.00780	0.2
89.02341	1.1
89.03876	0.3
93.03355	0.2
95.01295	0.2
97.02843	0.3
99.00775	0.9
101.02341	3.4
105.03355	0.4
106.57792	0.1
107.04911	0.3
109.02870	0.2
113.02362	1.7
115.01839	0.2
115.03920	0.1
117.03384	1.4
123.04439	0.4
125.02374	0.3
131.03450	0.3
132.02084	1.8
133.02879	30.5
134.03410	0.8
135.04446	14.3
136.04781	0.6
137.02367	0.3
138.69159	0.1
143.03448	0.2
159.02930	0.5
160.01607	0.1
161.02388	98.0
161.04565	2.6
162.02725	4.3
173.04510	0.2
179.03461	7.8
180.03812	0.3
191.05560	0.5
192.47928	0.1
233.06699	0.3
233.09520	0.2
269.10358	2.2
270.10767	0.3
271.02945	0.1
331.17813	0.2
353.09018	0.2
373.18753	0.4
393.00208	0.1
401.14618	1.1
510.05847	0.1
526.89294	0.1
563.17798	100.0
564.18134	12.0
565.18463	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	979.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.2
71.01273	43.8
71.04924	0.7
71.57401	1.1
72.99188	2.6
73.02449	1.0
73.02840	14.8
75.00745	1.6
81.03371	1.0
83.01267	6.5
83.73347	0.8
85.02353	1.3
85.02847	21.1
87.00755	4.0
89.02336	14.4
90.96500	0.7
93.03321	2.3
95.01289	3.8
96.95902	2.7
97.02841	7.9
99.00789	3.9
99.04410	1.0
101.02348	33.6
111.00816	1.3
111.04430	0.9
113.02351	20.2
119.03420	4.8
125.02377	2.1
127.07528	2.3
131.03391	0.9
133.02881	1.9
135.04411	2.3
143.03389	3.5
155.03435	0.8
159.02905	2.8
161.02361	2.1
161.04488	13.0
173.04474	1.4
179.03445	1.6
179.05458	1.8
189.12796	6.5
191.05597	7.5
191.07133	1.5
198.12357	0.9
203.05574	2.3
205.08731	3.8
207.10228	1.6
213.92285	0.9
237.18636	2.6
249.18645	1.4
269.19144	2.7
271.02481	2.0
272.54333	0.8
283.16940	1.1
299.02090	4.3
313.03632	1.3
313.18167	42.4
314.18509	3.6
331.19229	51.8
332.19583	4.7
353.08862	0.8
355.19205	2.2
373.20172	2.6
381.22894	44.5
382.23141	3.2
399.23969	62.3
400.24313	5.7
439.23505	1.0
441.25027	100.0
442.25308	10.3
903.84149	1.0
979.36475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92749	0.4
70.93136	0.3
71.01277	0.7
81.46849	0.2
83.04908	0.3
83.61975	0.2
85.02344	0.3
85.02845	4.9
87.00755	1.1
89.03821	0.2
91.05423	0.3
93.03359	3.0
99.04424	0.2
106.04176	0.2
107.04971	0.8
109.02861	0.7
111.04437	1.6
117.03371	0.5
121.02891	0.3
125.02357	0.2
127.03931	1.6
129.01901	0.2
132.02153	0.2
133.02873	2.1
134.03685	3.1
135.04453	49.2
136.04782	1.9
137.02377	0.4
142.48613	0.2
151.00302	0.7
155.03436	1.4
161.02396	5.6
162.02750	0.3
163.00327	0.2
171.02916	0.3
173.03070	0.3
173.04521	4.1
177.01849	0.2
179.03461	43.5
180.03793	2.1
180.74771	0.2
191.05586	92.4
192.05919	3.1
227.03627	0.3
234.47412	0.2
243.02992	0.5
245.04375	0.2
255.03040	1.6
271.02539	3.6
272.03021	0.2
299.02237	0.3
300.02829	4.8
301.03525	2.5
302.03668	0.2
323.05569	0.5
324.05560	0.2
335.07745	0.6
351.07495	0.3
352.07977	0.3
353.08847	100.0
354.09232	7.4
463.08942	2.8
464.08841	0.4
465.08600	0.2
491.12576	0.2
515.12018	8.8
516.12561	1.3
609.14886	0.3
625.11853	0.2
729.97321	0.2
979.21881	0.5
980.20636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03344	0.3
69.43843	0.7
69.44272	0.6
71.01276	0.9
73.02819	0.3
81.03351	0.2
83.01289	0.3
83.04914	0.6
85.02841	5.3
85.94236	0.2
87.00774	1.3
89.03812	0.2
93.03360	5.5
94.03676	0.2
99.04428	0.3
105.03345	0.3
107.01336	0.3
107.04945	1.0
108.02081	0.2
109.02846	1.0
111.00801	0.2
111.04426	2.7
113.02357	0.3
117.03371	0.3
121.02850	0.3
123.04464	0.2
125.02343	0.1
127.03934	1.6
133.02885	3.5
134.03677	3.4
135.04451	54.6
136.04782	2.4
137.02356	1.3
144.94006	0.2
151.00307	1.2
155.03426	2.5
159.04474	0.2
161.02390	8.4
162.02751	0.3
163.00328	0.3
171.02975	0.4
173.04512	13.8
174.04863	0.5
177.01909	0.3
179.03459	54.4
180.03780	2.6
187.03827	0.2
191.05583	94.6
192.05939	3.7
227.03505	0.3
235.53949	0.2
243.02951	0.7
251.07077	0.4
255.03014	2.2
256.03470	0.5
265.05072	0.2
268.13422	0.2
270.99738	0.3
271.02548	4.4
271.05469	0.3
272.02933	0.9
273.03668	0.2
299.02090	0.4
300.02823	6.6
301.03470	3.7
302.03876	0.5
308.41016	0.2
323.05643	0.8
335.07809	1.5
336.08441	0.2
351.07367	0.4
352.07864	0.6
353.08844	100.0
354.09198	8.0
386.56564	0.2
463.08969	3.8
464.09311	0.7
515.12067	24.6
516.12415	3.2
625.11877	0.2
879.24011	0.2
979.21466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99704	1.0
69.03361	1.0
71.01271	20.3
71.13792	0.5
72.99197	3.4
73.02849	2.6
75.00770	3.4
75.34918	0.5
78.95792	1.1
81.03363	0.6
83.01273	2.6
85.02850	13.8
85.03364	0.9
87.00769	3.9
89.02342	14.1
93.03360	4.8
95.01291	5.0
96.95892	1.0
97.02847	1.0
99.00790	6.1
101.02350	6.3
106.69478	0.5
109.02819	0.7
111.00793	3.7
111.04434	1.2
112.01591	0.8
113.01620	1.0
113.02355	11.7
117.03405	0.6
119.03442	2.4
119.04956	2.7
119.30076	0.5
125.02386	2.9
129.01884	1.0
131.03423	2.2
133.02870	1.4
134.03679	4.5
135.04462	2.4
136.01578	0.7
137.02380	1.8
139.00290	4.2
139.04044	0.6
143.03386	0.7
145.02847	1.6
146.03661	0.8
147.04469	0.5
147.27971	0.4
149.02371	0.6
149.04488	0.6
149.05988	0.6
150.03162	3.3
150.55565	0.5
151.03929	1.3
155.03445	0.7
157.01393	1.1
160.01627	1.6
161.02382	1.9
161.04555	1.6
162.03154	1.6
163.03970	2.0
165.01834	0.6
165.05493	3.5
173.04555	3.4
175.04028	1.3
176.28250	0.5
177.01949	0.8
177.05507	0.6
179.03488	1.1
179.05577	2.6
179.06955	0.6
181.05032	0.7
181.93388	0.5
191.05568	8.7
191.07140	0.8
193.05054	2.7
194.05464	0.5
195.06616	2.6
199.03973	0.5
211.07570	0.5
231.10231	0.7
255.03069	1.0
267.07233	1.3
275.09290	3.2
279.06790	0.8
283.02612	1.7
323.09775	0.8
359.14963	0.8
421.15350	0.7
449.14603	1.9
455.31726	1.3
503.33987	2.1
617.37219	1.2
645.24915	0.6
647.38519	1.3
665.39075	10.1
666.39642	2.2
689.17621	0.7
693.38495	1.2
761.41681	2.1
779.41705	2.3
811.32166	1.0
973.46899	100.0
974.47375	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	973.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99701	0.9
70.17590	0.5
70.17995	0.9
71.01273	19.7
72.99203	3.5
73.02837	2.7
75.00766	2.8
78.95798	2.4
82.82751	0.3
83.01287	2.9
84.02071	0.3
85.02846	15.8
85.99975	0.6
87.00771	2.0
89.02341	10.2
90.02712	0.3
95.01292	6.9
96.96873	1.4
97.02851	0.6
98.19804	0.3
99.00784	8.2
101.02348	6.1
103.00267	0.4
111.00803	4.1
112.01585	3.4
113.02361	13.4
115.61736	0.3
119.03427	0.7
129.01868	0.8
131.03407	1.6
134.03636	0.2
139.00313	4.4
141.01854	0.4
143.03403	0.5
149.04443	0.3
157.01370	1.3
161.04512	0.6
233.09491	2.7
326.23636	0.3
337.72308	0.3
409.31247	0.4
411.32849	0.6
427.32291	0.8
439.32101	0.5
459.34824	1.1
503.33948	0.8
577.19745	0.6
781.40930	0.3
973.46735	100.0
974.47083	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99709	1.5
69.03352	0.6
70.93878	0.8
71.01273	24.7
72.01615	0.3
72.99202	4.3
73.02831	3.4
75.00771	2.9
83.00809	0.3
83.01283	3.9
85.02848	19.8
85.99986	0.6
87.00786	2.7
89.02343	10.5
93.03377	1.4
95.01291	9.4
95.01902	0.4
95.73986	0.3
97.02850	0.8
99.00782	8.6
101.02354	8.0
108.02083	0.4
109.02827	0.3
111.00070	0.4
111.00801	5.3
111.04417	0.5
112.01587	3.8
113.02361	18.3
114.02625	0.6
119.03413	0.5
119.04926	0.6
125.02352	0.3
129.01836	0.9
131.03444	1.4
133.02904	0.3
134.03624	0.9
134.87509	0.3
135.04477	0.6
137.02385	0.5
138.44531	0.3
139.00310	4.9
143.03444	0.3
145.02916	0.4
147.04419	0.3
149.04366	0.3
157.01404	1.5
159.02975	0.5
161.02368	0.4
161.04500	0.7
163.03967	0.7
173.04497	0.8
179.03452	0.4
191.05588	2.8
193.05026	0.6
243.05035	1.1
249.05974	0.3
252.65775	0.3
267.07486	0.4
283.02661	0.4
327.09351	0.3
387.10941	0.7
409.30923	0.4
427.32297	0.7
433.17133	0.4
437.23810	0.3
439.32495	0.6
459.34860	1.4
503.33789	0.4
571.35059	0.3
771.86957	0.3
886.00714	0.3
973.46735	100.0
974.47089	21.9
991.99811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	0.9
71.01273	58.6
71.57658	0.8
71.67973	0.4
72.01618	1.0
72.99203	2.6
73.02836	19.3
75.00768	1.2
81.03363	0.8
83.01285	9.0
85.02844	28.1
87.00777	4.2
89.02340	16.0
93.03365	8.7
93.03933	0.8
94.03664	0.6
95.01286	4.1
96.95919	1.1
97.02852	1.5
99.00778	8.0
101.02347	40.8
102.02726	0.8
109.02886	0.8
111.00820	0.7
111.04433	1.0
113.02356	26.4
114.02695	0.6
117.03405	0.8
119.03416	7.1
119.04939	1.9
121.01332	0.5
121.02898	1.5
122.03674	2.8
123.00829	0.5
123.04377	0.5
125.02369	1.9
127.79334	0.5
129.01849	1.3
131.03415	1.8
133.02856	0.9
134.03687	3.2
135.04488	2.1
136.01567	3.8
136.98582	0.4
137.02376	2.0
143.03433	4.6
145.02873	1.4
146.03670	0.6
147.04456	0.6
149.02406	3.4
149.04466	1.6
149.06032	0.5
150.03165	12.4
151.00285	1.7
151.03931	4.4
159.02943	4.7
160.01620	1.1
161.02536	2.5
161.04504	24.9
162.01895	0.8
162.03189	10.9
162.04634	0.9
163.03984	2.1
164.04712	0.6
165.01848	4.3
165.05527	11.6
166.02663	2.8
166.05838	0.6
173.04526	4.1
175.03973	1.0
177.01904	0.9
177.05524	7.6
178.02914	0.5
178.05864	0.5
179.03506	1.4
179.05574	6.2
179.07021	0.8
180.04305	2.6
181.05038	4.1
191.05566	7.8
191.07138	0.7
192.05981	0.5
193.05042	1.9
194.05765	0.6
195.06609	10.2
195.08318	0.7
196.07013	0.6
203.05618	1.1
205.03448	0.8
210.05370	0.7
221.06615	1.1
225.07651	2.3
237.18710	1.4
275.09305	1.4
283.02527	0.9
311.11603	0.6
337.75888	0.5
357.12122	2.0
381.22839	3.6
387.14578	2.6
388.14981	0.7
399.23956	49.7
400.24338	5.1
417.15399	0.8
441.25018	100.0
442.25412	11.2
443.22815	1.0
449.14685	6.2
450.15067	1.1
451.14838	0.5
482.96759	0.5
485.24118	4.1
486.24310	0.6
565.20801	1.6
577.20813	0.8
613.23181	2.4
773.29193	1.1
809.29803	1.5
810.29663	0.5
812.14545	0.5
971.34729	2.1
971.53955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.359
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99715	0.6
69.67493	2.6
71.01273	51.7
72.01608	0.5
72.99207	5.0
73.02837	2.1
75.00753	0.4
78.95770	0.4
82.97731	0.4
83.01277	2.7
85.02848	10.6
87.00781	5.6
89.02341	55.0
90.02708	0.5
93.03362	10.7
94.03683	0.5
95.01288	4.5
96.95938	0.7
97.02843	0.7
99.00792	1.3
99.04423	0.8
101.02352	29.0
108.02068	1.5
109.02865	1.9
111.00812	0.7
111.04425	0.9
111.10284	0.3
113.02364	20.3
115.39935	0.4
117.03394	2.1
119.03425	22.7
119.04926	1.6
120.03770	0.5
121.02876	7.3
122.03664	15.8
123.00813	1.1
123.04408	1.5
124.01600	1.2
125.02382	1.0
129.01904	0.4
131.03448	3.7
133.02876	4.2
133.66193	0.3
134.03674	4.4
135.04466	3.5
136.01599	13.6
137.02386	5.8
138.03207	0.5
139.00261	0.4
139.04013	0.4
143.03439	7.1
145.02892	6.9
146.03702	3.6
147.00781	0.5
147.04446	1.3
148.05293	1.0
149.02393	21.7
149.04497	3.1
149.05879	0.8
150.03174	100.0
151.00327	5.7
151.03967	22.8
152.01094	1.5
152.04283	1.2
153.01906	0.5
153.05479	0.6
155.03470	0.5
159.04474	0.8
160.01616	1.4
161.02419	6.8
161.04515	7.3
161.06026	1.5
162.03178	45.6
163.03786	2.8
163.07608	1.1
164.04730	4.4
165.01897	8.1
165.05528	94.0
166.02673	15.2
166.05841	3.7
167.03348	1.3
173.04533	3.4
175.04019	1.9
175.07634	0.4
176.04691	0.5
177.02100	2.0
177.05536	27.2
178.02701	1.0
178.05914	1.4
179.03535	2.3
179.05592	23.2
179.07089	2.0
180.04263	13.8
180.05798	0.7
181.05028	17.0
182.05396	0.5
187.04045	0.4
189.01874	0.5
189.05594	0.4
190.06316	0.6
191.03557	1.1
191.05569	6.6
191.07146	0.7
192.04291	0.8
192.05913	0.5
193.05077	1.9
194.05762	0.5
195.06612	69.2
196.06934	2.8
203.03653	0.4
204.04202	0.6
205.05038	1.7
207.06641	1.2
209.11781	0.5
210.05409	1.1
219.06654	1.1
220.07310	0.9
225.07674	3.7
275.09457	1.2
283.02637	0.6
301.10822	0.4
311.11551	0.4
327.08945	0.5
329.10562	0.5
357.12283	4.8
359.11401	0.5
372.12411	1.0
373.12781	0.7
387.10919	0.7
387.14801	6.0
388.15042	0.5
399.23999	1.5
402.13162	1.0
403.14502	0.5
416.15326	0.5
417.15634	7.3
418.15829	0.5
441.25293	2.3
449.14594	5.4
450.14957	0.6
451.15717	0.4
467.15756	0.8
471.16785	0.6
477.16519	0.4
489.27255	0.5
495.80054	0.4
550.18500	0.6
563.19202	0.9
565.21075	5.1
566.21173	1.0
577.20862	6.9
578.21545	1.0
583.20978	1.3
595.22034	1.0
613.22992	7.4
614.23663	1.3
667.24707	0.6
725.26025	2.8
726.26147	0.8
761.28687	1.7
773.28497	6.5
774.29010	1.7
775.28253	2.0
776.29285	0.6
791.28540	0.8
809.30353	5.6
810.31439	1.6
917.37012	0.5
923.32721	2.2
924.35382	0.5
953.34674	0.6
971.35437	5.0
971.52942	0.8
972.36493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90312	0.6
68.99715	0.7
69.53357	3.2
69.53764	1.1
71.01273	37.1
72.01620	0.7
72.99208	3.8
73.02837	1.0
73.49649	0.5
74.76392	0.5
75.00783	0.9
81.03384	0.6
82.96291	0.5
83.01274	1.4
85.02845	8.5
87.00781	5.2
89.02343	45.4
93.03360	12.1
95.01300	3.1
97.02866	0.6
98.19806	1.1
99.00782	0.6
101.02349	20.0
101.03014	1.1
105.03388	0.8
107.04940	0.6
108.02098	1.2
109.02866	2.4
111.00812	0.7
111.04443	1.5
113.02362	15.3
117.03372	1.2
119.03424	20.2
119.04871	1.4
120.03694	0.7
121.02882	7.1
122.03668	15.9
123.00761	1.4
123.04455	1.5
124.01593	1.2
125.02355	0.8
131.03450	3.5
132.02034	0.8
132.79892	0.5
133.02896	4.8
134.03685	6.0
135.04475	2.8
136.01596	18.5
137.02414	8.3
138.03180	0.5
139.03922	1.0
143.03438	4.7
143.05099	0.6
145.02913	8.3
146.03702	4.7
147.04474	3.0
148.05257	12.5
149.02390	27.6
149.04460	1.6
149.05713	2.1
150.03174	100.0
151.00401	3.5
151.03967	39.4
152.01073	1.4
152.04401	2.1
153.01901	1.2
159.04425	1.1
160.01637	1.0
160.05261	0.9
161.02422	7.2
161.04517	7.0
161.06026	3.7
162.03178	61.2
163.03737	3.3
163.07610	14.4
164.04787	5.9
164.07944	2.4
165.01891	1.8
165.05533	86.8
166.02676	11.7
166.05801	2.9
167.03387	1.5
173.04501	4.4
175.03983	1.8
176.04706	0.7
177.01906	2.3
177.05539	36.4
178.02646	1.2
178.05884	1.8
179.03514	2.1
179.05573	19.0
179.07109	4.0
180.04280	7.3
181.05034	15.8
184.03734	1.0
187.03946	1.2
191.03632	1.2
191.05565	5.4
191.07130	1.0
192.04202	1.9
193.05020	2.7
195.06618	46.4
196.06886	2.9
205.05006	3.9
207.06583	2.3
219.06590	1.6
220.07373	2.2
221.07993	0.6
225.07663	0.6
230.76909	0.6
248.00246	0.6
266.05923	0.8
267.07236	0.7
275.09323	4.1
298.84912	0.6
315.08716	0.7
347.92380	0.5
357.12045	4.1
372.12042	0.8
373.12750	1.0
386.13586	0.8
387.10675	1.5
387.14957	3.1
401.12744	0.6
402.13156	0.8
403.13702	0.6
416.14825	0.6
417.15659	10.2
418.15854	0.8
421.15082	1.1
449.14661	11.3
450.14835	1.1
535.16589	0.8
550.18781	1.3
563.19141	1.8
564.19678	0.8
565.20898	16.4
566.21393	2.9
577.21033	4.7
583.20880	0.7
595.21906	1.9
612.22345	1.1
613.23102	9.8
614.23242	1.4
645.24200	0.9
667.23901	1.3
713.26385	0.7
725.14117	1.1
725.26196	14.2
726.26141	2.4
743.26904	1.0
746.98773	0.6
755.27118	1.0
761.28284	5.9
762.29669	1.3
773.28516	11.1
774.28418	2.3
775.28192	1.7
791.29260	2.5
809.30298	10.3
810.31091	3.2
923.33868	7.9
924.33850	1.6
953.34503	0.8
971.34821	8.0
972.35516	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	969.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03367	0.9
71.01272	35.3
71.60724	0.6
71.61126	0.5
72.99205	1.1
73.02835	9.8
75.00791	1.0
83.01286	4.7
85.02846	16.3
87.00783	1.8
88.99716	0.6
89.02345	8.5
93.03329	1.3
95.01284	3.2
97.02844	3.0
99.00787	4.8
101.02351	24.0
111.04436	0.7
113.02356	17.5
119.03388	2.7
119.04948	1.1
121.08257	0.5
123.08075	2.0
125.02370	0.9
127.07571	7.8
129.01895	0.6
137.09671	1.0
143.03455	2.8
145.02863	0.8
148.47780	0.6
151.54555	0.6
159.02957	2.6
161.04503	12.4
162.22473	0.5
163.03951	1.3
165.05510	1.2
165.12848	0.6
173.04532	1.3
179.05574	1.8
184.14941	0.6
191.05574	4.6
191.07133	11.5
192.07509	0.6
203.14481	0.9
205.08679	8.5
206.09354	1.3
207.10095	0.6
209.15491	8.4
221.08217	1.4
221.15446	0.5
269.19235	0.6
277.10950	0.6
283.17294	0.6
313.18149	7.8
329.21384	0.8
331.19232	71.4
332.19504	7.3
349.20279	67.8
350.20657	5.6
353.19766	21.1
354.20151	1.4
371.20804	34.2
372.21170	2.7
373.20309	2.4
391.21500	1.4
413.21902	100.0
414.22311	8.5
511.25705	3.1
922.59100	0.6
970.54095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90312	0.6
68.99715	0.7
69.53357	3.2
69.53764	1.1
71.01273	37.1
72.01620	0.7
72.99208	3.8
73.02837	1.0
73.49649	0.5
74.76392	0.5
75.00783	0.9
81.03384	0.6
82.96291	0.5
83.01274	1.4
85.02845	8.5
87.00781	5.2
89.02343	45.4
93.03360	12.1
95.01300	3.1
97.02866	0.6
98.19806	1.1
99.00782	0.6
101.02349	20.0
101.03014	1.1
105.03388	0.8
107.04940	0.6
108.02098	1.2
109.02866	2.4
111.00812	0.7
111.04443	1.5
113.02362	15.3
117.03372	1.2
119.03424	20.2
119.04871	1.4
120.03694	0.7
121.02882	7.1
122.03668	15.9
123.00761	1.4
123.04455	1.5
124.01593	1.2
125.02355	0.8
131.03450	3.5
132.02034	0.8
132.79892	0.5
133.02896	4.8
134.03685	6.0
135.04475	2.8
136.01596	18.5
137.02414	8.3
138.03180	0.5
139.03922	1.0
143.03438	4.7
143.05099	0.6
145.02913	8.3
146.03702	4.7
147.04474	3.0
148.05257	12.5
149.02390	27.6
149.04460	1.6
149.05713	2.1
150.03174	100.0
151.00401	3.5
151.03967	39.4
152.01073	1.4
152.04401	2.1
153.01901	1.2
159.04425	1.1
160.01637	1.0
160.05261	0.9
161.02422	7.2
161.04517	7.0
161.06026	3.7
162.03178	61.2
163.03737	3.3
163.07610	14.4
164.04787	5.9
164.07944	2.4
165.01891	1.8
165.05533	86.8
166.02676	11.7
166.05801	2.9
167.03387	1.5
173.04501	4.4
175.03983	1.8
176.04706	0.7
177.01906	2.3
177.05539	36.4
178.02646	1.2
178.05884	1.8
179.03514	2.1
179.05573	19.0
179.07109	4.0
180.04280	7.3
181.05034	15.8
184.03734	1.0
187.03946	1.2
191.03632	1.2
191.05565	5.4
191.07130	1.0
192.04202	1.9
193.05020	2.7
195.06618	46.4
196.06886	2.9
205.05006	3.9
207.06583	2.3
219.06590	1.6
220.07373	2.2
221.07993	0.6
225.07663	0.6
230.76909	0.6
248.00246	0.6
266.05923	0.8
267.07236	0.7
275.09323	4.1
298.84912	0.6
315.08716	0.7
347.92380	0.5
357.12045	4.1
372.12042	0.8
373.12750	1.0
386.13586	0.8
387.10675	1.5
387.14957	3.1
401.12744	0.6
402.13156	0.8
403.13702	0.6
416.14825	0.6
417.15659	10.2
418.15854	0.8
421.15082	1.1
449.14661	11.3
450.14835	1.1
535.16589	0.8
550.18781	1.3
563.19141	1.8
564.19678	0.8
565.20898	16.4
566.21393	2.9
577.21033	4.7
583.20880	0.7
595.21906	1.9
612.22345	1.1
613.23102	9.8
614.23242	1.4
645.24200	0.9
667.23901	1.3
713.26385	0.7
725.14117	1.1
725.26196	14.2
726.26141	2.4
743.26904	1.0
746.98773	0.6
755.27118	1.0
761.28284	5.9
762.29669	1.3
773.28516	11.1
774.28418	2.3
775.28192	1.7
791.29260	2.5
809.30298	10.3
810.31091	3.2
923.33868	7.9
924.33850	1.6
953.34503	0.8
971.34821	8.0
972.35516	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	967.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03371	0.9
69.84335	1.8
70.90472	0.3
71.01274	33.0
72.01618	0.4
72.99233	1.2
73.02840	9.7
75.46513	0.3
83.01282	4.6
83.01707	0.4
85.02844	16.2
86.03204	0.4
87.00789	1.8
89.02344	8.1
92.29900	0.3
95.01278	3.6
96.95908	4.6
97.02862	2.2
99.00797	3.5
99.92513	0.6
101.02353	19.6
102.02713	0.4
103.08308	0.4
109.02907	0.9
111.00818	0.6
111.04464	0.3
112.01593	1.8
113.02362	18.7
114.02719	0.6
116.92780	3.2
119.03418	2.3
119.04910	0.4
121.24345	0.3
125.02418	1.3
129.01953	0.4
131.03476	1.0
135.04512	0.4
142.02779	0.3
143.03456	2.0
149.04529	1.3
159.02942	1.7
161.04501	6.2
161.05833	0.4
165.12833	0.6
179.05659	0.5
191.05588	0.9
203.05571	0.5
221.06805	0.5
273.22284	1.8
299.20117	1.7
315.18274	0.9
317.21295	19.4
318.21606	1.5
335.78757	0.3
357.19299	1.2
413.23621	0.6
461.25583	100.0
462.25946	13.3
462.32504	0.6
479.26620	35.3
480.26895	4.6
521.27692	61.3
522.28052	9.2
652.24060	0.4
743.86194	0.4
968.41052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	1.4
71.01276	58.1
71.58297	1.0
72.01576	1.3
72.28833	0.7
72.99202	4.3
73.02853	3.6
75.00771	1.8
83.01277	2.2
84.02044	1.4
85.02851	61.8
86.03197	1.1
87.00780	10.5
88.98692	1.3
89.02345	28.1
95.00717	1.5
95.01291	21.8
96.95910	2.9
97.02837	2.6
99.00788	14.2
101.02355	15.8
108.02000	0.8
113.02366	100.0
114.02687	1.7
116.92763	1.8
117.01857	3.4
119.03403	7.3
125.02366	1.5
131.03412	2.6
133.02815	1.1
135.04431	1.3
137.02406	0.8
139.00253	1.6
143.03436	12.9
149.04533	1.3
161.02368	1.6
161.04520	37.9
162.04953	0.9
179.03783	0.8
179.05583	16.9
184.78857	0.8
191.05598	4.2
195.06505	1.1
261.87204	0.7
308.03418	0.8
313.17953	1.3
341.11093	1.7
439.32300	19.6
440.32602	2.5
537.94421	1.0
569.44098	0.9
584.39954	1.0
661.18555	0.8
701.98376	0.9
825.43060	95.4
826.43469	20.7
968.91687	3.2
969.15662	1.1
969.47260	21.6
970.47852	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	967.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03350	0.6
71.01269	24.0
71.56876	0.7
72.01624	0.4
72.99213	1.0
73.02836	7.4
73.93947	0.4
75.00741	0.4
78.95798	0.8
82.09896	0.3
83.01277	3.8
85.02844	12.0
87.00771	1.4
89.02332	3.1
89.03863	1.7
89.87100	0.4
90.75008	0.4
91.30743	0.4
93.03363	1.3
95.01291	2.2
97.02855	2.8
99.00784	3.3
99.04465	0.4
101.02344	16.0
109.12808	0.3
111.00786	0.7
113.02356	11.3
117.03380	4.3
119.03461	0.4
119.04931	0.8
121.02885	0.5
123.04453	0.5
124.01604	0.5
125.02357	5.1
132.02090	8.7
133.02878	2.7
134.03665	56.9
135.04062	1.6
136.01633	0.5
137.02393	1.0
143.03426	1.1
147.04489	0.5
149.02267	0.4
149.06020	7.7
150.06296	0.5
151.00304	1.3
151.03908	0.6
155.03490	0.5
158.03691	2.9
159.02965	2.1
160.01604	51.7
161.02435	5.7
161.04488	11.5
161.05862	0.8
162.04871	0.7
163.03867	0.4
172.05267	0.7
173.04523	1.0
173.06046	3.7
174.03194	0.8
175.03961	64.9
176.04341	3.3
177.01915	0.6
178.02678	1.6
179.03444	0.9
179.05598	0.5
191.05585	3.6
191.07133	1.3
193.05031	49.2
194.05356	3.5
195.06702	0.5
200.04813	0.6
201.01913	3.6
202.02713	5.1
203.05583	0.8
207.10304	0.5
213.05630	0.4
215.07104	0.5
215.22905	0.4
216.04341	0.7
217.05040	10.0
218.05479	0.8
230.05743	0.5
231.06642	1.3
241.93658	0.4
243.05125	3.0
244.05409	0.8
245.05470	0.5
298.28064	0.4
299.02353	0.5
301.03763	0.7
301.07211	9.0
302.07675	0.5
313.16721	0.7
327.08914	0.6
331.17688	27.0
332.18048	2.6
337.09656	0.4
355.06799	1.1
364.08060	1.2
367.10449	2.8
368.10663	1.6
369.10938	1.1
373.18753	29.7
374.19287	1.9
379.10416	100.0
380.10748	9.8
387.16791	2.6
417.17578	1.0
463.12454	2.4
505.13660	26.3
506.13989	3.1
549.19781	5.9
550.20575	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	967.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03340	1.8
69.73439	2.5
71.01270	36.5
72.01608	0.4
72.99194	1.9
73.02836	41.0
75.00759	0.8
83.01278	13.9
85.02851	7.2
87.00777	1.6
89.02340	9.9
89.03870	1.6
93.03340	0.9
95.01295	2.5
97.02856	2.6
99.00767	1.3
99.04446	0.6
101.02349	41.7
102.02699	0.9
109.41953	0.4
111.00785	0.7
113.02357	17.6
114.02750	0.5
117.03387	4.5
119.03434	7.0
119.04879	0.6
123.00817	0.7
124.01527	0.5
125.02366	6.5
131.03435	4.7
132.02100	10.8
133.02907	2.8
134.03665	65.1
135.03975	2.6
136.01570	0.4
137.02394	0.6
137.39789	0.4
143.03445	5.9
146.03731	0.5
147.04404	0.6
149.02522	0.5
149.04497	11.6
149.06009	7.2
151.00354	1.3
155.03448	1.7
158.03696	3.1
160.01610	60.3
161.02367	3.5
161.04492	20.8
162.03180	0.6
162.04823	0.6
163.04051	0.4
172.05247	0.9
173.04539	0.9
173.06023	3.2
174.03145	0.9
175.03961	73.8
176.04312	4.2
177.01930	0.9
177.05518	0.7
178.02711	1.8
179.03455	1.9
179.05582	1.7
184.05342	0.5
187.03894	0.5
189.05443	0.4
191.05562	3.0
191.07072	1.0
193.05038	52.6
194.05408	3.8
200.04779	0.5
201.01962	2.9
202.02711	5.9
203.05528	2.6
215.07155	1.1
216.04243	1.0
217.05045	8.9
218.05563	0.7
221.06648	9.5
222.07048	0.5
230.05937	0.5
231.06604	1.3
247.06093	0.4
259.06216	1.1
259.12357	0.4
267.92957	0.4
283.06119	0.4
299.01956	0.6
301.07242	10.4
302.07645	0.7
313.16632	0.7
318.34512	0.4
319.07999	0.6
327.08716	0.5
331.17755	2.8
337.09421	1.1
355.06714	1.2
362.31284	0.4
364.08200	0.7
367.10428	2.1
368.10849	1.0
369.10867	1.3
373.18756	9.3
374.62012	0.4
379.10422	100.0
380.10800	9.3
381.10904	0.6
463.12689	1.8
505.13635	30.1
506.13934	3.8
528.76654	0.4
627.33514	0.4
707.39984	0.5
733.21765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	1.4
69.03343	0.8
69.33582	1.9
71.01268	3.6
72.99239	0.2
73.02837	1.6
73.57187	0.2
75.98929	0.2
81.03352	0.6
83.01277	0.4
83.04917	0.7
85.02838	5.0
87.00767	3.6
89.02328	1.0
89.03861	0.4
91.05400	0.3
93.03357	14.2
94.03712	0.5
99.00784	0.5
99.04430	0.3
101.02338	2.3
104.43647	0.2
107.04919	0.6
109.02861	0.8
111.04427	4.2
113.02365	1.3
115.03912	0.2
117.03375	2.3
117.51298	0.2
118.95676	0.2
119.03440	0.4
127.03925	1.7
129.01898	0.5
132.02113	0.5
133.02885	2.9
134.03667	28.2
135.04453	41.0
136.04776	1.7
137.02325	1.0
139.79558	0.2
143.03418	0.4
149.06027	2.3
155.03430	2.3
160.01605	1.6
161.02380	7.6
161.04541	0.6
162.02722	0.2
171.02956	0.3
171.96051	0.2
173.04504	10.3
175.03893	1.6
178.02625	0.5
179.03456	34.8
180.03789	1.7
187.13423	0.5
191.05580	100.0
192.05923	3.7
192.07664	0.2
193.05029	23.6
194.05397	1.1
299.01935	0.4
331.17755	1.6
335.07751	1.1
349.09369	1.6
349.18753	2.3
353.08835	45.4
354.09198	4.0
367.10403	48.3
368.10760	4.4
379.10510	0.3
391.19846	3.0
392.20267	0.5
485.26096	0.3
505.13705	0.3
529.13623	23.7
530.14081	3.3
661.20117	0.3
813.65216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5708
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27402	0.6
69.27826	0.4
71.01272	0.3
78.95792	6.3
83.04926	0.3
83.67247	0.1
94.98944	0.1
97.06445	0.1
104.97379	0.2
110.98442	4.6
127.07600	0.2
137.00032	0.1
152.99506	0.5
155.46048	0.1
167.01112	1.5
185.02174	4.7
191.05574	0.1
205.19695	0.1
233.22838	0.5
238.82281	0.1
259.20667	0.7
265.30811	0.1
275.20297	0.5
275.22867	0.1
277.21774	100.0
278.22119	7.8
279.23315	0.3
417.55554	0.1
445.23688	57.0
446.24023	5.1
504.30896	0.3
528.58215	0.1
548.30518	0.1
615.17572	0.1
710.33191	0.1
848.40222	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	963.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01763	0.4
70.17997	1.2
71.01270	39.9
72.01617	0.4
72.99197	1.4
73.02837	1.0
83.01270	1.3
84.02056	1.4
85.02844	57.3
86.03174	1.1
87.00787	1.5
89.02338	14.2
93.03368	0.5
95.01287	22.1
96.95901	0.6
97.02831	0.6
99.00766	0.9
101.02350	1.2
113.02358	100.0
114.02709	1.9
124.31373	0.3
125.02404	0.6
131.03444	1.5
134.03722	0.3
135.04387	0.4
139.00285	1.4
141.66266	0.3
143.03403	2.5
149.04500	1.1
161.04501	15.0
162.04865	0.4
178.56076	0.3
191.05571	1.0
252.13387	0.2
285.03461	0.3
311.09882	0.8
439.32162	2.6
440.32922	0.3
473.29269	0.3
544.32574	0.3
565.18671	0.3
795.41571	0.6
927.46167	78.2
928.46539	17.2
962.92120	0.9
963.41632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01778	8.6
69.03341	2.1
71.01269	3.5
71.04902	0.1
72.99197	0.3
73.02825	0.4
75.00760	0.2
81.03358	1.8
83.01259	0.2
83.04916	1.5
85.02844	2.2
87.00771	11.8
88.84940	0.1
89.02343	0.2
93.03359	69.8
94.03697	1.6
95.01292	0.3
97.02866	0.2
97.06475	0.3
99.00784	1.4
99.04424	1.2
101.02349	0.5
108.02076	0.4
109.02865	1.0
111.00780	0.4
111.04430	9.5
112.04745	0.2
113.02369	1.6
115.03909	0.6
117.03326	0.2
119.04941	0.3
121.02853	0.2
124.01579	0.5
125.02375	0.4
126.03130	0.2
127.03928	0.5
129.01860	1.5
132.02133	0.5
133.02896	0.8
134.03667	6.7
135.04460	5.8
136.04802	0.2
137.02365	1.1
139.03967	0.2
143.03416	0.7
145.02888	0.5
149.02405	0.3
150.03160	0.4
151.03961	1.0
153.01784	0.1
155.03441	2.4
159.04416	0.1
160.01610	2.0
161.02396	2.0
162.03165	5.3
163.03891	0.4
173.04512	32.3
174.04843	0.9
175.03966	0.1
177.01901	0.5
178.02696	0.3
179.03481	1.4
180.04144	0.1
181.04871	0.1
187.07619	0.2
191.05582	18.6
192.05916	0.6
193.04948	0.3
195.06444	0.2
199.13393	0.6
209.67296	0.1
215.05493	0.1
229.76750	0.1
231.10278	0.2
249.06204	0.4
257.08237	0.7
275.09317	5.1
276.09668	0.3
307.08270	0.4
308.09055	0.9
331.19150	1.1
349.20349	0.3
351.07330	1.5
352.08008	1.8
405.20987	0.3
449.14624	100.0
450.14960	8.9
496.57657	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	961.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01778	5.9
69.03339	1.6
71.01271	3.3
71.58176	0.4
73.02847	0.6
75.00766	0.2
77.03848	0.2
78.95805	0.4
81.03353	1.5
83.04918	1.5
85.02843	2.1
87.00776	9.7
88.81056	0.2
89.02354	0.4
89.03864	0.3
93.03362	55.2
94.03679	1.4
95.01289	0.5
95.04905	0.7
97.02864	0.4
97.06485	1.1
99.00782	1.1
99.04412	1.0
101.02332	0.7
105.03377	3.0
108.02051	0.3
109.02852	0.9
111.04430	10.7
112.71964	0.2
113.02344	1.4
115.03934	0.5
117.03377	1.6
119.04938	1.5
121.02870	0.9
123.04446	0.8
124.01550	0.3
125.02352	0.3
127.03936	0.5
127.07579	0.3
129.01868	1.7
132.02107	0.3
133.02887	10.3
134.03668	30.1
135.04477	8.1
136.04831	0.3
137.02370	2.3
139.03934	0.3
143.03410	0.5
145.02910	1.6
149.02374	1.0
150.03165	0.3
151.00299	0.3
151.03946	0.5
155.03455	3.9
159.04424	0.4
160.01675	1.2
161.02402	4.0
162.03175	17.5
163.03964	1.1
171.08943	0.2
173.04518	28.1
174.04858	0.9
175.03989	0.2
177.01892	2.3
178.02673	1.9
179.03409	0.8
185.11804	0.2
187.07651	0.8
191.05585	13.6
192.05934	0.6
193.05037	0.3
203.10780	0.7
213.09119	0.3
225.51791	0.2
227.03665	0.4
231.10287	23.0
232.10640	1.3
241.08806	0.3
255.03070	0.5
257.08197	0.5
267.07327	0.3
275.09320	86.6
276.09622	5.4
283.02328	0.3
284.03339	0.4
285.04138	2.1
286.04361	0.3
308.09106	0.4
331.19305	1.4
332.19495	0.4
337.09167	0.4
349.19089	1.0
351.07294	0.7
352.08035	0.6
364.58032	0.2
405.21326	0.4
449.14648	100.0
450.14999	10.9
511.25430	0.4
955.77942	0.3
961.35864	0.8
974.65802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01269	0.3
71.08540	0.2
78.95796	6.0
83.04900	0.2
97.06508	0.1
104.97380	0.1
110.98443	4.3
115.86012	0.1
127.07554	0.2
133.02823	0.1
152.99509	0.6
167.01117	1.5
185.02174	4.3
205.19719	0.1
233.22748	0.4
251.96275	0.1
259.20746	0.4
275.20166	0.6
277.21783	100.0
278.22125	8.2
435.93701	0.1
445.23706	50.8
446.24039	5.7
461.61383	0.1
464.10410	0.1
490.07175	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	959.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38046	0.5
71.01279	0.3
78.95795	5.1
83.04901	0.3
95.55020	0.1
104.97351	0.2
110.98439	3.8
152.99503	0.5
167.01108	1.4
185.02171	3.9
191.05530	0.4
233.22839	0.3
259.20724	0.5
261.25079	0.1
261.40451	0.2
265.77383	0.2
271.02472	0.2
275.20276	0.5
277.21777	100.0
278.22137	7.2
281.59598	0.1
445.23703	51.1
446.24060	4.8
470.97906	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	959.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01780	6.8
68.02122	0.2
69.03346	2.0
70.54349	0.6
71.01268	3.9
71.04909	0.6
72.99193	0.4
73.02839	0.9
75.00784	0.2
77.03873	0.5
80.16120	0.2
81.03355	2.1
83.04925	2.3
85.02855	1.9
87.00776	9.4
89.02361	0.3
89.03835	0.3
93.03362	56.0
94.03703	1.6
95.01273	0.3
95.04934	1.0
97.02843	0.4
97.06477	1.7
99.00774	1.3
99.04401	1.2
101.02355	0.5
105.03378	4.3
105.83578	0.2
108.02055	0.4
109.02859	0.7
111.00805	0.4
111.04430	10.1
112.04783	0.3
113.02344	1.1
115.03931	0.5
117.03376	1.4
119.04962	0.9
121.02863	0.6
123.04436	1.6
123.08091	0.6
127.03941	0.7
129.01857	1.2
132.02116	0.3
133.02887	14.8
134.03668	37.0
135.04478	11.3
136.04788	0.4
137.02394	2.2
139.03975	0.4
143.03465	0.5
145.02919	1.5
145.06538	0.5
149.02399	1.0
150.03197	0.5
151.03999	0.3
155.03441	5.0
159.04492	0.3
160.01628	1.0
161.02397	4.3
162.03177	15.9
163.03741	0.8
172.05164	0.3
173.04517	29.3
174.04883	0.7
175.03902	0.3
177.01909	2.3
178.02675	1.4
179.03424	0.7
187.07594	1.3
189.09258	0.4
191.05589	13.3
192.05966	0.4
203.03447	0.2
203.10793	0.8
205.08691	0.4
213.14995	0.3
231.10286	28.6
232.10677	1.9
255.03157	0.4
257.08231	0.5
263.13171	0.3
275.09317	100.0
276.09641	7.3
283.02655	0.3
294.22424	0.2
308.08945	0.2
313.15997	0.2
329.17642	1.8
347.18610	1.8
351.07120	0.5
352.08142	0.7
441.14545	0.3
449.14633	99.9
450.14999	9.9
520.80792	0.2
593.54462	0.2
958.49170	0.3
959.49066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01782	1.1
68.99711	1.2
69.03357	0.5
69.10529	0.3
71.01273	19.9
71.59818	0.3
71.60235	0.6
72.99204	4.0
73.02834	1.7
75.00771	6.5
78.95804	2.3
83.01276	2.6
83.04881	0.4
84.02067	0.5
85.02846	15.3
87.00774	3.8
89.02343	11.4
93.03367	2.1
95.00703	0.6
95.01288	5.6
96.95922	0.6
96.96888	1.8
97.02843	0.9
99.00784	10.9
101.02358	3.8
109.02884	0.5
111.00792	5.7
111.04455	0.5
112.01589	0.7
113.02364	13.0
114.02724	0.3
115.00276	0.7
117.03362	0.3
119.03436	0.3
119.04974	1.0
121.06375	0.3
123.04422	0.3
127.03803	0.3
129.01869	1.0
131.03427	1.4
133.02963	0.7
134.03717	1.8
135.04414	1.1
137.02339	0.8
139.00307	4.1
145.02882	0.5
149.04471	0.5
149.05997	0.4
151.00294	0.5
157.01399	1.5
161.02347	0.9
163.03914	1.1
173.04503	1.5
174.86063	0.3
175.02454	0.3
175.03955	0.5
178.02701	0.5
178.99763	0.3
179.03418	0.4
191.05562	3.6
192.05882	0.4
193.05081	1.0
233.09451	2.3
243.05147	0.6
249.06187	0.8
267.07288	0.9
275.09256	0.7
398.54321	0.4
449.15311	0.4
453.30087	0.6
455.31738	1.9
471.31216	0.7
483.31326	0.7
485.32587	0.7
491.21429	6.5
492.21896	0.9
501.32123	0.6
503.33902	3.9
504.34515	0.7
531.33453	0.4
599.36145	4.3
600.36700	0.7
617.36658	2.6
618.37476	0.4
705.20563	1.3
811.41492	0.5
957.47375	100.0
958.47760	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	957.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01764	0.4
69.03336	0.3
71.01273	39.2
72.01604	0.4
72.99211	1.0
73.02840	0.7
75.00749	0.4
83.01276	1.8
84.02063	1.5
85.02847	58.4
86.03195	0.8
87.00773	1.3
89.02341	10.5
93.03381	0.2
95.01288	23.1
96.01630	0.5
96.95911	0.7
97.02882	0.4
98.20568	0.4
99.00777	0.5
101.02337	1.1
104.62605	0.2
112.01609	0.4
113.02361	100.0
114.02698	2.2
116.92778	0.3
125.02380	0.4
131.03456	1.0
137.02362	0.2
139.00313	1.3
143.03426	2.8
149.04451	0.9
161.04506	10.6
162.04877	0.2
191.05592	1.0
231.06619	0.3
262.81378	0.2
311.09906	0.8
313.17874	0.2
321.23257	0.2
331.19104	0.5
410.52246	0.2
432.20157	0.2
439.32217	1.2
889.43689	0.2
939.46851	0.5
957.47229	60.3
958.47504	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	957.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01815	0.3
68.26578	0.3
69.03352	4.5
70.70325	0.3
70.70669	0.8
71.01273	81.6
72.01598	1.2
72.99204	6.9
73.02852	2.2
75.00780	0.9
75.66573	0.3
81.03355	1.6
81.72025	0.3
83.01282	4.2
85.02848	13.3
87.00771	3.5
89.02342	92.1
90.02692	1.3
93.03355	0.4
95.01287	6.0
96.95939	1.5
97.02858	6.7
99.00788	0.5
99.04458	0.4
101.02352	37.2
102.02698	0.4
107.03414	0.4
109.02876	0.9
111.04424	0.7
113.02362	30.5
114.02705	0.6
119.03422	27.1
120.03743	0.4
123.00771	0.3
125.02370	43.1
126.02722	1.1
131.03455	3.5
137.02332	0.4
137.18251	0.3
139.00182	0.3
139.03940	4.3
143.03450	5.3
149.04510	3.0
161.02403	0.4
161.04500	6.2
163.91682	0.3
167.03465	2.1
177.01938	0.6
179.05580	45.1
180.05956	1.1
191.05571	1.7
191.07112	0.4
192.04274	0.5
207.06487	0.3
254.60765	0.3
255.03145	0.4
283.02469	0.9
297.14575	0.3
305.08865	8.7
306.08597	0.4
323.09921	10.6
324.10236	0.5
331.19159	1.3
439.32288	8.7
440.32733	1.5
802.97839	0.4
930.48608	0.4
957.47241	100.0
958.47559	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01771	2.1
68.99713	2.3
69.03347	0.7
69.48167	1.0
69.48592	2.5
71.01271	24.0
72.99198	6.1
73.02827	3.1
75.00764	4.9
77.72798	0.4
83.01277	5.3
84.02074	0.6
85.02847	19.9
86.00008	0.5
86.03189	0.7
87.00769	3.5
89.02343	12.4
91.63483	0.4
93.03377	2.4
95.01288	8.8
96.95908	0.5
97.02843	1.8
99.00782	10.4
99.04420	1.0
101.02351	7.6
111.00790	7.7
112.01587	5.3
113.02366	15.9
114.02686	0.4
119.03433	0.8
119.04920	1.2
125.02363	0.8
129.01865	1.4
131.03406	1.6
133.02866	0.5
134.03661	1.7
135.04434	1.1
137.02350	1.0
139.00308	5.0
145.02914	0.8
150.03140	0.5
155.03409	0.7
157.01347	1.7
159.02911	0.6
160.01611	0.8
161.02362	0.8
161.04478	0.8
163.03923	1.1
164.04739	0.8
173.04562	2.6
175.03934	0.6
179.03386	1.0
179.07118	1.0
191.05589	6.1
192.05931	0.6
193.04984	1.5
246.49724	0.4
275.09247	0.6
285.04208	0.4
300.02786	0.5
327.08475	0.5
461.20441	0.8
487.34265	0.7
640.64233	0.5
701.43756	0.5
774.86774	0.4
795.29010	0.5
806.23602	0.5
825.42963	0.6
843.37189	0.5
957.47333	100.0
958.47595	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	1.6
68.99711	1.8
69.03332	0.6
71.01273	21.2
71.60187	0.4
72.99198	5.6
73.02831	3.0
75.00766	4.4
78.95795	0.5
83.01281	4.0
85.02848	15.5
85.99984	0.8
87.00777	3.1
89.02339	10.3
93.03361	1.8
95.01292	7.8
96.95902	0.6
96.96867	0.3
97.02853	1.2
99.00783	8.5
99.04424	0.8
101.01694	0.4
101.02354	6.6
109.02823	0.3
111.00800	5.4
111.04469	0.5
111.50258	0.3
112.01584	3.6
113.02364	14.6
119.03407	0.7
119.04934	1.0
121.02833	0.3
125.02370	0.3
129.01849	1.1
131.03415	1.5
132.64671	0.3
133.02850	0.5
134.03647	1.3
135.04463	0.6
137.02350	0.6
139.00319	4.1
143.03345	0.3
145.02893	0.4
147.04453	0.3
149.04539	0.3
155.03383	0.4
157.01370	1.1
159.02921	0.4
160.01634	0.6
161.02397	0.6
161.04501	0.7
163.03909	0.6
164.04643	0.8
165.05507	0.2
173.04497	1.1
175.03889	0.6
179.03386	0.4
179.07059	0.6
181.05183	0.3
191.05577	3.7
192.06026	0.6
193.05043	0.8
194.05383	0.2
233.09412	0.3
248.62407	0.3
259.56451	0.3
267.07123	0.4
275.09360	0.4
283.02472	0.3
294.17166	0.3
327.08722	0.3
367.10544	0.6
367.27753	0.3
379.10281	0.3
411.32889	0.2
449.14713	0.4
461.20370	0.5
487.34201	0.6
765.40564	0.4
957.47302	100.0
958.47607	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	957.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99692	0.3
69.03346	1.2
71.01270	75.1
71.08605	0.8
72.01603	0.8
72.99197	5.6
73.02838	2.0
75.00773	0.9
81.03358	1.3
83.01276	2.4
84.02071	0.5
84.47568	0.2
85.02844	38.3
86.03197	0.9
87.00778	2.5
89.02338	80.4
90.02680	1.3
95.01289	4.7
97.02844	5.5
97.92682	0.3
99.00777	1.1
99.04408	1.4
101.02345	18.7
109.02920	0.5
111.00796	0.6
111.04360	0.3
113.02357	48.5
114.02717	1.4
115.03903	0.7
119.03419	13.1
125.02373	4.9
127.03937	1.6
131.03421	7.8
133.02855	0.3
137.02364	0.6
139.00334	0.7
143.03435	25.4
144.03740	0.6
145.05000	0.8
149.04500	15.1
150.03163	0.7
150.04733	0.5
155.03497	0.4
161.02328	0.4
161.04482	4.3
165.01907	0.5
165.05507	0.9
176.25218	0.3
177.01842	0.4
179.05574	27.1
180.04234	1.3
180.05939	0.8
185.04533	0.5
189.12825	0.8
191.05605	0.9
192.04298	0.6
195.06625	1.9
205.08737	0.6
207.06587	0.7
225.07713	1.4
243.25598	0.3
249.13794	0.3
269.08862	0.3
285.47937	0.3
293.08896	1.2
313.18155	4.3
314.18533	0.7
329.10962	1.8
366.30984	0.3
374.36435	0.3
421.15033	0.4
439.32254	11.6
440.32697	2.0
487.34512	0.7
550.16479	0.3
894.52039	0.3
933.38031	0.4
957.47211	100.0
958.47540	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	957.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01771	0.6
68.99724	0.1
69.03350	0.3
70.91681	0.2
70.92048	0.3
71.01272	43.6
72.01600	0.4
72.99202	1.7
73.02834	0.7
75.00766	0.3
81.17355	0.1
83.01284	1.7
84.02068	1.8
85.02846	55.7
86.03178	0.8
87.00774	1.9
89.02341	17.8
90.02699	0.4
91.20078	0.1
93.03341	0.1
95.01289	22.2
96.01612	0.6
96.95913	0.2
97.02856	0.3
99.00816	0.5
101.02354	5.6
107.03368	0.1
112.01591	0.4
113.02361	100.0
114.02694	2.1
115.04023	0.1
117.32840	0.1
119.03422	3.7
121.35306	0.1
125.02363	0.5
131.03455	1.4
133.02832	0.1
133.14172	0.1
134.03711	0.2
135.04486	0.2
139.00307	1.3
143.03444	4.9
149.04500	0.5
161.04507	31.0
162.04808	0.8
165.05472	0.1
179.05580	10.5
180.05966	0.3
191.05611	0.4
195.06590	0.1
258.56781	0.1
331.19302	0.2
341.10812	0.8
439.32306	3.5
440.32712	0.6
490.92868	0.1
512.57617	0.1
537.20154	0.1
781.44397	0.2
825.43195	0.8
876.34790	0.3
876.84424	0.2
957.47235	32.2
958.47595	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	957.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	38.7
71.60458	0.4
71.61039	0.8
72.01602	0.5
72.99206	2.1
73.02835	0.8
75.00764	0.8
83.01274	2.0
84.02053	1.2
85.02843	49.8
86.03206	0.8
86.40476	0.5
87.00777	2.1
88.98727	0.6
89.02338	17.9
93.03381	0.6
95.01286	19.0
96.95924	1.9
99.00813	0.5
101.02349	5.6
113.02359	100.0
114.02681	2.2
119.03421	4.8
119.04916	0.8
125.02364	0.6
131.01869	0.5
131.03424	1.5
135.04453	0.5
139.00284	1.6
143.03444	5.4
161.04506	30.1
162.03169	2.4
162.04716	0.7
177.05524	1.3
178.69833	0.5
179.03853	0.6
179.05580	11.3
180.05862	0.4
191.05579	2.3
191.07124	1.0
205.08795	0.5
209.08150	0.9
243.84360	0.5
331.19226	4.6
358.00427	0.5
393.58087	0.6
403.13708	0.6
439.32239	4.6
501.25748	0.6
825.43848	1.1
876.35205	3.4
876.84515	1.3
886.37567	0.7
957.47247	38.9
958.47589	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	955.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.2
71.01269	1.7
71.54463	0.1
71.55631	0.1
71.55975	0.1
72.99206	0.1
73.02831	1.3
75.00768	0.4
78.95795	0.1
81.03350	0.5
83.01275	0.5
85.02831	0.3
85.06480	0.1
89.02322	0.2
93.03365	0.2
95.01289	0.1
95.04904	0.1
96.95915	0.1
97.02850	1.6
97.06480	0.2
99.00772	0.1
101.02357	1.0
107.04989	0.1
109.02856	0.5
109.06481	0.3
111.04424	0.4
113.02358	0.5
119.04922	0.1
121.02866	0.1
121.06503	0.2
122.03635	0.1
123.00782	0.1
123.04401	0.1
123.08088	1.3
125.02339	0.9
127.07567	3.3
128.07875	0.1
133.02878	0.2
135.04422	0.4
137.02394	0.2
139.03909	0.1
143.03423	0.1
145.02869	0.2
145.10216	0.1
147.08063	0.3
149.02385	0.2
149.04401	0.1
149.05994	0.1
149.09698	0.1
151.00259	0.2
151.04004	0.1
151.07593	3.7
152.07945	0.2
155.03377	0.2
155.04565	0.1
161.02414	0.5
161.04500	0.2
161.05917	0.2
161.09671	0.3
163.03957	0.2
163.07628	0.2
163.11188	0.1
165.05498	0.4
165.09132	0.3
167.03458	0.1
169.08598	0.1
173.09509	0.1
175.07672	0.1
175.11223	0.1
177.05518	0.1
177.09189	0.1
179.03410	0.2
179.07120	0.1
181.08698	0.1
187.11142	0.1
189.05524	0.3
189.09183	0.2
189.12524	0.1
191.07103	18.6
192.07442	1.0
195.06601	9.2
196.06918	0.5
199.03899	0.1
201.05502	0.1
203.05482	0.2
203.07208	0.1
203.10748	0.2
203.14325	0.5
205.08682	13.3
206.09286	1.3
207.10254	0.6
209.08188	0.3
211.07664	0.2
215.07166	0.1
219.06628	2.5
219.10110	0.1
220.06816	0.2
221.06111	0.1
221.08205	2.5
222.08522	0.2
229.08653	0.1
230.09502	0.1
233.08092	0.1
237.07690	0.8
238.08357	0.1
243.03308	0.1
249.07660	0.2
259.13391	0.1
269.19138	0.4
271.02591	0.5
271.17160	0.1
285.18826	0.1
287.20319	0.2
289.18210	0.1
299.02005	0.9
300.02466	0.1
305.21136	0.1
311.20181	0.1
313.18170	2.8
314.18481	0.3
315.19601	0.2
329.17978	0.1
329.21176	0.5
331.19208	100.0
332.19550	8.8
345.20560	0.3
349.20264	22.5
350.20584	1.9
353.09015	0.1
355.19415	0.5
357.11984	4.5
358.12265	0.3
363.21887	1.0
364.22357	0.1
373.20261	4.4
374.20605	0.3
385.20322	0.2
391.21393	2.3
392.21643	0.2
403.21301	0.3
415.21634	0.1
421.22763	0.1
475.23813	0.1
479.72037	0.1
493.24612	0.1
553.26788	0.3
612.34650	0.1
746.36267	0.1
788.75269	0.1
903.13452	0.1
955.45453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22405	2.5
71.01273	14.8
71.59120	3.3
83.04931	4.1
83.21626	2.9
85.02861	3.4
87.00792	3.9
89.01847	3.1
89.02333	14.2
90.60926	2.6
95.38938	2.5
95.54501	2.4
96.80677	2.9
101.02322	13.2
113.02339	5.7
116.92757	5.5
119.03470	3.9
125.02372	4.7
127.07301	2.9
151.01158	2.9
161.04514	5.2
163.11198	2.8
165.12869	4.0
179.05563	4.0
180.97542	2.8
191.05605	5.1
209.11841	100.0
210.12148	7.4
227.12897	25.4
235.08214	5.0
246.47435	2.8
255.42628	2.7
277.21835	59.9
278.22025	4.4
282.55264	3.1
379.12491	19.5
397.13641	63.0
398.14063	4.0
415.14664	9.8
467.50143	3.6
558.49194	2.8
589.25189	12.4
607.26428	7.6
613.75336	3.2
657.34894	8.8
675.36139	15.4
867.47711	5.1
953.49042	58.3
954.50476	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01282	0.1
71.57430	0.1
74.11507	0.1
74.30867	0.1
93.03369	0.1
95.01318	0.1
97.02852	0.2
111.04438	1.6
119.04964	0.1
121.02895	0.2
123.00783	0.2
124.01580	1.5
124.02440	0.1
125.02387	0.1
135.04459	0.1
139.03940	1.0
149.99542	0.1
151.07622	0.2
152.01093	12.6
153.01459	0.4
161.02365	0.2
163.04021	0.1
165.01878	1.0
166.02718	0.4
166.06253	0.2
166.73627	0.1
173.04460	0.1
176.04735	0.8
177.05534	0.3
179.03445	0.3
181.89558	0.1
191.05801	0.4
191.06902	0.4
193.05074	0.1
194.05821	12.1
195.06512	1.1
209.08186	100.0
210.08522	4.4
226.04845	0.2
278.60385	0.1
299.01880	0.2
413.09265	0.1
413.14639	2.2
414.15012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42330	0.2
69.03344	1.0
71.01270	10.3
71.04904	0.3
71.32164	0.5
72.99204	1.3
73.02837	5.7
75.00758	0.6
81.03341	2.1
83.01263	2.7
85.02839	3.8
85.06485	0.5
87.00777	1.5
87.04385	0.4
89.02341	4.0
93.03364	0.7
95.01304	1.1
95.04930	0.6
97.02849	1.1
97.06486	0.6
99.00786	1.4
99.04417	1.0
101.02345	9.6
107.04940	0.3
107.86036	0.2
109.02870	0.5
109.06506	2.1
111.04433	2.7
113.02355	5.4
113.05963	0.4
119.03435	1.6
121.02876	0.5
121.06490	0.3
121.57368	0.2
122.03668	0.7
123.00777	0.3
123.04459	0.7
125.02367	4.6
125.09647	0.3
127.07571	0.4
131.03421	0.7
135.04446	0.5
137.06039	0.3
137.09650	0.8
139.03868	0.4
139.07607	1.8
139.59392	0.2
143.03436	0.8
149.02397	0.7
149.04500	0.9
151.00381	0.5
151.07587	25.9
152.01050	0.3
152.07918	1.3
153.05493	0.3
155.07089	0.4
155.10670	0.3
157.08636	0.7
159.02934	0.7
161.04506	4.2
163.07657	0.3
165.05478	0.3
167.10696	0.5
169.08716	0.4
177.05536	0.5
179.03528	0.6
179.05579	0.5
179.07051	0.3
181.08685	0.6
185.11798	5.8
191.05608	1.4
191.07143	0.8
194.05898	0.3
195.06599	94.6
196.06956	4.6
203.05566	0.4
209.08197	1.6
219.06622	15.6
220.06924	1.3
221.06546	0.4
227.13008	0.6
237.07692	6.2
249.07767	1.8
269.14032	2.6
297.10104	0.4
321.04285	0.3
329.16122	10.6
330.16507	0.8
339.05087	1.2
347.17142	9.4
348.17615	0.7
353.08813	0.5
357.11972	100.0
358.12308	8.9
359.12585	0.3
385.11438	0.3
389.18246	29.6
390.18558	2.5
399.12744	0.4
433.21014	0.7
468.23083	0.3
513.10455	1.3
519.17780	0.5
610.14899	0.3
705.16479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03354	0.4
71.01270	0.7
71.59507	0.2
73.02858	0.2
78.39369	0.1
83.01257	0.2
85.02866	0.2
88.59558	0.1
89.03897	0.2
91.05428	0.2
93.03359	0.3
95.01318	0.1
97.02847	1.3
101.02362	0.3
101.09295	0.1
102.79339	0.1
102.84325	0.1
103.90422	0.1
105.03378	0.5
107.04945	0.4
109.02837	0.4
111.04469	0.1
113.02360	0.3
115.01846	0.3
117.03407	0.7
121.02895	0.3
125.01471	0.2
125.02377	3.7
130.46469	0.1
132.02101	1.6
133.02884	31.9
134.03607	1.9
135.04451	38.0
136.04781	1.6
137.02361	0.7
139.03946	0.2
145.02950	0.2
149.02310	0.2
159.04436	0.4
160.01506	0.1
161.02393	100.0
162.02728	4.9
163.04089	0.1
173.06024	0.2
175.03975	0.5
177.05533	0.5
178.02705	0.4
179.03464	24.7
180.03827	1.0
191.05608	0.8
201.01877	0.4
203.03522	0.9
292.16370	0.1
323.07770	0.6
329.11493	0.2
353.08813	0.5
365.08856	10.7
366.09326	1.0
373.18799	0.2
409.67569	0.2
433.60297	0.1
449.10941	3.9
450.11188	0.5
491.12057	97.5
492.12393	12.8
493.12613	0.3
535.11145	0.3
815.15558	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	949.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03346	0.4
69.28565	2.0
71.01271	23.1
72.99199	0.3
73.02835	6.0
75.00764	0.5
78.95824	0.2
78.96828	0.2
81.03355	2.4
83.01276	3.6
85.02845	8.7
86.03172	0.2
87.00775	0.8
89.02332	0.7
93.03360	0.6
94.10277	0.2
95.01295	1.3
97.02851	0.8
99.00783	2.7
99.04420	100.0
100.04738	1.9
101.02345	29.1
102.02692	0.4
113.02354	7.8
115.05457	0.6
119.04950	0.2
123.04407	0.2
123.08056	0.2
125.02368	40.3
126.02741	0.9
129.01918	0.2
131.04944	1.9
133.06522	3.0
135.04469	0.3
139.07571	0.2
143.03436	7.4
143.04568	0.4
145.02820	0.3
150.92580	0.2
155.03433	0.4
159.02959	1.3
161.02382	0.4
161.04504	11.1
165.05476	0.3
173.04500	0.5
191.05647	1.5
191.10699	0.6
203.05592	20.9
204.05933	0.8
225.07712	0.5
243.08786	4.3
244.09065	0.4
278.17569	0.2
295.11984	1.6
296.12354	0.2
329.17606	0.5
337.13010	10.1
337.31351	0.3
338.13330	0.9
347.18744	0.7
351.07751	0.2
377.16034	2.6
395.17099	1.5
432.07959	0.2
439.16183	70.0
440.16528	7.0
947.66840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.426
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01806	0.2
67.17213	0.2
68.99710	0.3
69.03340	1.6
71.01270	29.7
72.01608	0.3
72.99200	1.2
73.02835	12.5
74.03189	0.3
75.00768	0.7
81.03349	0.3
83.01273	5.6
83.70206	0.2
84.02069	0.3
85.02843	18.3
85.99534	0.2
86.00008	0.9
87.00763	1.8
87.04398	0.5
89.02338	4.8
94.42477	0.2
95.01292	2.7
97.02848	1.6
99.00780	6.7
99.04479	0.3
101.02346	25.3
111.00787	0.7
112.01568	1.0
113.02356	15.8
114.02718	0.4
115.03908	0.2
119.03426	0.6
125.02331	1.4
127.03843	0.2
128.05244	0.2
129.01849	0.6
131.03410	0.7
135.04401	0.3
143.03430	2.2
159.02934	3.0
161.04497	14.4
162.04832	0.3
174.52681	0.2
191.05652	0.7
203.07098	0.5
205.03448	0.5
222.15302	0.2
269.10361	11.8
270.10724	0.9
275.23901	0.9
319.22839	0.3
378.68198	0.2
383.13525	4.0
401.14600	100.0
402.14938	8.4
437.29291	0.2
439.32339	0.6
440.32562	0.3
443.15674	9.1
444.15948	1.0
463.27191	3.4
481.28165	15.9
482.28357	2.3
523.29236	51.4
524.29602	6.5
548.67993	0.3
770.34839	0.5
842.87250	0.7
843.37054	0.4
847.40869	1.0
865.42706	1.5
879.39148	0.2
879.89374	0.3
907.43610	2.8
908.43536	0.8
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
68.09598	7.1
71.01280	24.7
71.83772	5.8
81.36201	6.5
83.04933	7.5
87.00780	11.3
89.02340	18.5
101.02345	13.5
113.02335	13.9
119.03432	7.4
125.02370	9.8
162.77016	7.0
191.05559	15.3
198.94127	5.8
209.11810	100.0
210.12196	43.6
211.12376	12.1
222.64615	6.9
227.12874	9.8
228.13353	7.2
229.13397	7.3
235.08202	11.8
255.23425	8.5
277.21793	52.0
278.22104	31.2
279.22403	11.5
293.21301	9.2
397.13657	33.8
398.13867	18.2
399.14108	21.7
417.15027	8.1
506.78250	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	949.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22713	0.3
67.55779	0.3
69.31020	2.2
69.31448	0.9
71.01271	0.9
83.04905	0.4
84.10670	0.3
85.02840	6.0
85.98480	0.3
87.00774	1.3
93.03352	3.8
99.04426	0.4
107.04928	0.9
109.02864	0.5
111.04427	2.0
117.03347	0.4
125.02365	0.5
127.03916	2.1
133.02873	3.0
134.03683	3.5
135.04445	54.9
136.04779	3.1
150.08362	0.3
153.19994	0.3
155.03453	1.5
161.02397	9.1
162.02713	0.8
171.02930	0.5
173.04500	3.8
179.03453	49.8
180.03795	3.7
181.04063	0.4
191.05577	100.0
192.05914	5.6
193.05968	1.2
265.33817	0.3
335.07739	0.5
353.08832	85.6
354.09143	9.5
355.09412	2.3
388.22467	0.3
491.12106	2.9
515.12085	7.9
516.12402	1.3
517.12927	0.4
648.77100	0.3
648.88678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01771	0.3
69.03324	0.1
69.09098	0.1
71.01276	1.4
71.55717	0.2
73.02829	0.9
75.93718	0.1
78.95795	0.2
81.03369	0.4
83.01266	0.2
83.04919	0.5
85.02855	1.2
87.00763	0.7
89.02344	0.4
89.03854	0.7
93.02774	0.2
93.03362	4.0
97.02869	0.1
101.02345	1.4
106.04139	0.2
109.02883	0.3
111.04438	2.5
113.02361	0.5
117.03377	6.0
119.03441	0.3
119.04935	0.3
125.02314	0.2
127.03965	0.5
129.01875	0.4
131.03496	0.2
133.02901	1.0
133.03780	0.2
134.03665	64.0
135.04504	5.7
136.04814	0.3
137.02373	0.5
149.06021	6.7
155.03450	3.5
160.01605	0.2
161.02403	2.5
161.04503	0.4
173.04520	7.1
174.04871	0.3
175.03990	0.4
178.02657	0.4
179.03459	5.7
180.03795	0.3
191.05585	17.6
192.05974	0.6
193.05032	100.0
194.05365	4.1
204.20509	0.1
271.02603	0.1
299.02100	0.5
300.02570	0.2
301.03448	0.1
316.87576	0.1
331.17758	0.2
335.07761	1.1
339.05228	0.2
349.09479	0.2
349.19022	0.2
353.08832	6.8
354.09164	0.7
367.10406	89.0
368.10745	6.4
373.18823	0.4
401.14481	0.2
529.13647	5.1
530.14093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.577
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01767	0.2
69.03344	3.5
69.99768	0.6
70.03664	0.1
71.01263	0.2
71.04903	1.7
78.95797	4.9
83.04913	0.8
84.33481	0.1
85.02848	0.2
85.08614	0.1
89.02334	0.2
93.03391	0.1
95.04914	0.1
96.96860	0.5
97.02859	3.3
97.06485	1.0
99.04419	19.5
100.04779	0.4
101.02351	0.6
107.04926	0.1
109.06502	0.4
111.04423	1.3
111.08041	0.3
113.02355	0.2
115.03933	0.6
121.06492	0.9
123.08080	2.2
124.08384	0.2
125.09653	0.7
133.02798	0.1
135.04466	0.2
135.08095	0.2
137.09627	0.1
147.08026	0.1
149.09674	0.2
151.11212	0.3
152.99522	8.7
153.99866	1.2
154.99956	0.6
163.11250	1.4
167.10786	0.2
171.00587	0.4
173.04533	0.1
173.09743	0.2
173.76793	0.1
187.11237	0.5
189.12851	0.2
191.05600	0.4
191.14355	0.2
203.14388	0.4
205.15948	0.3
217.16023	0.2
219.17566	0.5
221.15396	0.1
233.19041	0.1
245.19174	0.2
253.09442	0.2
257.19232	0.3
261.22226	0.3
271.20746	0.5
273.18704	0.3
273.22363	0.5
274.41739	0.1
277.21747	2.1
278.22064	0.3
283.17102	0.3
287.20276	0.7
289.21777	1.1
291.23160	0.2
299.20154	0.4
301.18115	0.5
301.21469	0.1
303.19730	0.6
305.21115	0.2
307.22949	0.5
317.21262	1.2
333.20789	0.5
355.26462	1.1
356.26953	0.2
376.67023	0.1
387.25461	1.2
388.25830	0.2
399.25461	1.3
400.26001	0.2
401.23480	0.2
415.25046	0.4
431.21927	1.5
432.22369	1.7
433.26047	100.0
434.26379	10.2
434.32672	0.2
650.25000	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	947.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	3.5
69.03342	0.8
69.47519	1.3
69.47925	0.3
71.01268	3.5
73.02831	0.5
81.03351	0.7
83.04916	0.9
85.02837	1.6
87.00759	0.9
89.02327	0.3
89.03863	0.3
91.90083	0.2
93.03358	22.4
94.03684	0.8
98.20522	0.4
99.00777	0.5
99.04421	0.3
101.02350	0.4
109.02847	0.9
111.00811	1.2
111.04433	5.5
113.02374	0.6
117.03374	2.1
119.04926	0.3
127.03958	0.6
129.01807	0.2
133.02878	1.0
134.03662	26.7
135.04469	5.9
136.04749	0.3
137.02377	5.3
141.22884	0.2
145.02893	0.3
149.06018	2.3
153.00658	0.2
153.01846	0.2
155.03435	5.0
161.02390	2.9
161.04448	0.3
163.03989	0.2
165.05394	0.3
173.04507	100.0
174.04846	2.6
175.03966	0.2
178.02618	0.3
179.03453	5.9
180.03868	0.3
191.05576	15.1
192.05911	0.6
193.05029	28.3
194.05348	1.2
217.05078	0.2
290.85861	0.2
307.76416	0.2
327.74380	0.2
335.07727	1.0
349.09406	0.3
353.08823	6.2
354.09171	0.5
367.10400	90.7
368.10760	5.4
368.14468	0.1
373.18796	0.5
529.13660	13.1
530.14124	1.3
897.17023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01771	0.3
69.03324	0.1
69.09098	0.1
71.01276	1.4
71.55717	0.2
73.02829	0.9
75.93718	0.1
78.95795	0.2
81.03369	0.4
83.01266	0.2
83.04919	0.5
85.02855	1.2
87.00763	0.7
89.02344	0.4
89.03854	0.7
93.02774	0.2
93.03362	4.0
97.02869	0.1
101.02345	1.4
106.04139	0.2
109.02883	0.3
111.04438	2.5
113.02361	0.5
117.03377	6.0
119.03441	0.3
119.04935	0.3
125.02314	0.2
127.03965	0.5
129.01875	0.4
131.03496	0.2
133.02901	1.0
133.03780	0.2
134.03665	64.0
135.04504	5.7
136.04814	0.3
137.02373	0.5
149.06021	6.7
155.03450	3.5
160.01605	0.2
161.02403	2.5
161.04503	0.4
173.04520	7.1
174.04871	0.3
175.03990	0.4
178.02657	0.4
179.03459	5.7
180.03795	0.3
191.05585	17.6
192.05974	0.6
193.05032	100.0
194.05365	4.1
204.20509	0.1
271.02603	0.1
299.02100	0.5
300.02570	0.2
301.03448	0.1
316.87576	0.1
331.17758	0.2
335.07761	1.1
339.05228	0.2
349.09479	0.2
349.19022	0.2
353.08832	6.8
354.09164	0.7
367.10406	89.0
368.10745	6.4
373.18823	0.4
401.14481	0.2
529.13647	5.1
530.14093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01785	0.2
69.03329	0.2
69.87337	0.3
69.87696	0.8
71.01272	0.9
73.02840	0.4
78.68334	0.1
81.03352	0.2
83.01286	0.1
83.04922	0.4
85.02837	4.2
87.00763	1.1
91.05441	0.3
93.03355	3.0
95.04912	0.1
98.30568	0.1
101.02361	0.2
105.03357	0.4
106.07773	0.1
107.01287	0.3
107.04956	0.9
109.02166	0.2
109.02872	0.6
111.04425	1.9
117.03362	0.4
119.04955	0.3
121.02863	0.4
123.04430	0.2
127.03941	1.4
129.01854	0.2
133.02882	4.5
134.03682	2.9
135.04442	48.0
136.04773	1.7
137.02365	0.4
145.02859	0.3
149.02347	0.2
151.00311	1.1
155.03432	1.7
161.02380	5.9
162.02762	0.2
163.00273	0.2
163.03918	0.3
171.02936	0.3
173.04507	4.7
173.06015	0.2
174.04875	0.2
177.01883	1.6
179.00241	1.0
179.03450	50.4
180.03793	2.3
183.10223	0.6
191.05576	100.0
192.05911	3.0
201.53194	0.1
243.02888	0.2
255.03035	0.9
271.02487	1.1
300.02725	2.5
301.03580	2.6
302.03760	0.2
302.85245	0.1
331.54446	0.2
335.07828	0.8
351.07309	2.4
352.07504	0.5
353.08826	99.0
354.09161	6.8
433.07968	0.2
463.08710	0.3
486.84009	0.2
513.10168	0.4
515.12036	9.1
516.12219	1.1
529.19421	0.5
729.18781	0.1
773.17242	0.7
774.17059	0.3
947.23163	1.1
948.23199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05067	0.1
71.05418	0.2
73.87318	0.1
78.95793	53.2
79.70935	0.1
89.84647	0.1
96.96861	6.7
99.04411	0.7
101.27348	0.1
101.77778	0.1
102.79129	0.1
140.49954	0.1
147.69460	0.1
150.97964	2.2
152.99524	100.0
153.99866	1.1
160.76028	0.1
171.00600	4.4
179.25171	0.1
191.05624	0.2
209.11737	0.1
273.68097	0.1
277.21732	0.9
387.25406	0.1
419.28561	0.1
431.22070	40.6
432.22421	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	945.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
68.82842	0.4
69.03359	0.7
70.39249	0.4
71.01273	15.1
71.26904	0.3
72.99209	1.2
73.02466	0.5
73.02825	2.5
80.02572	0.9
80.96411	0.5
81.03348	1.5
83.01270	2.0
83.04926	4.9
84.02045	0.6
85.02844	3.6
87.00764	3.8
89.02345	10.7
95.01293	1.5
95.04918	0.7
96.25311	0.3
97.02863	2.5
99.00784	0.7
99.04417	0.5
101.02348	10.6
109.02866	0.4
111.00841	0.4
113.02370	6.2
115.03925	0.5
119.03430	3.1
125.02379	5.2
125.06001	0.5
131.03441	0.8
133.01343	0.4
139.03954	0.5
141.01888	0.4
143.03448	2.3
149.02357	0.4
154.39413	0.3
161.04483	3.1
163.11224	3.3
165.12860	2.0
167.03442	0.4
175.46265	0.4
179.05591	3.0
181.12265	0.5
185.04413	0.4
191.05573	0.5
191.10745	0.8
199.06119	0.5
209.11829	100.0
210.12187	4.2
212.66440	0.3
221.06657	1.1
224.34499	0.4
227.12892	12.8
227.15169	0.6
233.22862	0.4
235.08263	5.1
245.06592	0.5
251.13023	0.5
253.09381	0.8
259.08340	0.5
263.07730	0.5
277.21796	53.9
278.22137	4.0
287.07837	2.1
305.08890	2.5
323.09842	1.0
349.23740	0.4
379.12549	10.7
380.12964	0.6
397.13614	41.3
398.13763	2.6
415.14630	8.1
416.14850	0.6
521.58698	0.4
589.25134	1.8
603.71271	0.4
607.26147	2.3
657.34723	1.0
675.35748	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03358	0.5
70.03735	0.2
70.65276	0.7
70.65614	0.2
71.01272	11.6
71.01668	0.6
71.04922	0.3
72.99210	1.1
73.02837	2.0
75.00748	0.4
80.02563	1.0
81.03346	1.3
83.01266	1.7
83.04916	5.4
83.07468	0.3
84.02057	0.8
85.02838	3.6
87.00761	3.5
89.02338	10.2
91.03899	0.3
95.01281	0.9
95.04908	0.9
96.62741	0.2
97.02856	2.1
97.06464	0.3
99.00764	0.7
100.05996	0.3
101.02345	9.7
108.00095	0.3
109.06506	0.4
111.04411	0.3
113.02361	5.4
115.03913	0.3
119.03419	2.9
125.02374	4.9
125.03249	0.4
125.05955	0.6
131.03407	0.5
133.04971	0.4
135.08168	0.5
141.01898	0.4
143.03429	2.2
149.04488	0.3
161.04515	2.4
163.11229	4.1
165.12837	2.4
167.03439	0.4
179.05577	3.6
181.12321	1.0
191.05569	0.5
191.10756	1.1
192.44673	0.3
199.06126	0.4
204.61790	0.3
209.11819	100.0
210.12163	5.0
217.07130	0.8
221.06683	1.2
224.68874	0.2
227.12889	10.5
233.11679	0.3
235.08238	4.5
251.12938	0.6
253.09377	0.6
259.08246	0.8
263.07733	0.4
277.21786	41.1
278.22165	3.6
281.08807	0.3
287.07889	1.7
305.09003	1.8
323.09961	1.1
336.90042	0.3
379.12549	9.3
380.12814	0.7
397.13605	33.6
398.13916	2.0
415.14661	6.3
589.25159	2.0
607.26141	3.5
608.25861	0.5
657.34961	0.8
675.36053	1.2
880.28424	0.3
885.48798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08052	0.4
69.03346	1.8
71.01272	27.6
72.99207	3.1
73.02836	4.7
75.00784	0.8
80.02571	1.2
81.03345	3.4
83.01286	3.4
83.04924	3.1
85.02848	7.7
87.00772	7.1
88.28250	0.5
89.02340	19.3
93.03369	0.8
95.01291	1.9
95.04908	0.5
97.02853	12.3
97.06502	0.5
98.19827	1.3
99.00793	4.0
101.02347	18.4
106.43702	0.5
107.04958	1.3
109.02910	0.7
109.06503	31.7
110.03661	1.6
110.06818	0.8
111.00819	0.7
111.04447	1.5
113.02367	10.4
119.03442	5.2
121.06519	2.1
123.04438	1.0
123.08068	0.6
125.02374	8.0
129.01886	0.7
131.03410	1.2
135.08087	4.8
136.05231	1.9
137.02353	0.6
139.03909	1.0
141.01851	1.9
142.02646	3.0
143.03453	3.1
145.10228	0.5
161.04514	5.0
161.09662	2.3
163.11247	19.5
164.11610	0.8
179.05598	5.0
179.10773	1.1
181.12338	3.5
189.09209	2.5
199.06052	0.7
207.10258	100.0
208.10596	5.8
209.11815	2.2
217.07201	1.0
221.06732	2.5
225.11334	37.3
226.11649	2.5
229.55351	0.6
235.08263	6.1
243.12428	1.1
253.09346	1.3
263.07590	0.8
277.21793	76.7
278.22095	6.9
281.13968	0.7
287.07822	1.5
299.15073	1.2
305.08878	2.7
323.09799	1.3
361.11801	0.8
379.12527	10.1
380.12796	0.7
397.13605	56.2
398.14017	5.1
415.14713	14.5
416.14932	1.1
441.33768	1.3
587.23651	2.0
605.24426	6.3
606.24628	1.1
623.25653	4.0
657.35138	1.0
675.36249	3.8
676.37177	0.8
836.83026	0.6
865.45612	2.4
866.45374	0.7
883.47168	67.0
884.47473	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99715	0.4
69.03351	1.9
70.82613	1.2
71.01270	22.6
71.04942	0.5
72.01630	0.6
72.99184	2.0
73.02843	3.6
75.00780	0.5
80.02574	0.8
81.03346	3.0
83.01270	1.8
83.04922	3.2
84.02057	0.5
85.02840	5.3
87.00765	5.9
89.02337	14.5
93.03374	1.2
95.01304	1.4
95.04935	1.0
97.02856	10.8
97.03488	0.6
97.06483	0.5
98.03247	0.4
99.00770	3.3
99.04427	0.6
101.02348	14.9
102.02663	0.4
106.04181	0.4
107.04947	0.8
109.02902	0.5
109.06503	36.2
110.03659	1.3
110.06843	1.1
111.00791	0.8
113.02359	9.4
119.03398	4.6
121.02888	0.5
121.06517	2.0
123.04430	1.1
123.36711	0.4
125.02370	6.0
125.09634	0.9
131.03445	0.7
133.05025	0.7
133.06563	0.4
135.08092	4.1
136.05197	1.2
139.03920	0.9
139.40910	0.5
141.01891	1.7
142.02658	3.0
143.03445	3.0
145.10210	0.7
149.04581	0.5
151.07527	0.5
161.04518	4.2
161.09686	1.9
161.48048	0.4
163.11237	19.5
164.11610	0.6
167.03392	0.4
167.82970	0.4
179.05589	5.5
179.10771	1.2
181.12312	5.4
182.12659	0.4
187.72052	0.4
189.09233	2.6
203.05650	0.4
207.10255	100.0
208.10611	6.8
209.11813	3.1
217.07193	0.5
221.06705	3.0
225.11324	46.3
226.11668	2.5
235.08282	4.8
243.12488	2.0
245.06717	0.5
249.11357	0.7
253.09238	0.8
263.07797	0.5
277.21790	54.5
278.22153	5.0
281.13998	0.7
287.07849	1.4
291.23898	0.5
299.15085	1.2
305.08966	1.9
321.08469	0.5
323.09961	1.3
379.12531	7.6
379.17072	0.7
380.12772	0.7
397.13593	39.2
398.13931	3.3
415.14667	13.7
416.15146	1.3
441.34039	1.2
443.19406	0.9
447.30774	0.4
565.98877	0.4
587.23688	3.7
588.24420	0.5
605.24615	10.4
606.25159	1.8
623.25745	6.9
624.25940	1.2
625.74463	0.5
657.35199	1.0
675.35498	1.8
676.36316	0.6
724.23090	0.4
773.58209	0.4
865.45258	2.3
866.46600	0.6
883.47156	54.7
884.47528	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	943.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01782	1.2
68.99697	1.0
69.03342	0.3
69.29259	2.2
71.01272	16.6
72.99196	3.2
73.02837	0.5
75.00764	3.4
78.00552	0.2
78.95795	1.3
83.01283	2.3
85.02844	11.9
87.00779	1.5
89.02341	9.0
89.02908	0.3
93.03357	0.6
95.01286	5.1
96.96859	1.0
97.02834	0.8
98.20579	0.5
99.00789	5.2
101.02361	1.5
111.00789	5.4
112.01565	0.3
113.02361	9.7
119.03367	0.3
119.04926	0.3
129.01837	0.6
131.03441	1.4
135.04567	0.3
139.00308	4.8
149.04466	0.5
150.03123	0.3
155.03491	0.3
157.01335	1.0
158.73573	0.3
162.32022	0.2
173.04536	0.5
180.73145	0.2
191.05597	1.6
233.09541	1.1
265.24713	0.2
367.73083	0.2
441.30103	0.4
453.30060	0.8
455.31775	1.9
471.31277	0.9
483.31311	0.7
485.32599	1.1
501.32455	0.7
503.33960	6.2
504.34137	0.8
531.33136	1.1
585.34369	0.7
599.36163	4.8
600.36310	1.0
617.37036	2.9
618.37146	0.5
635.38330	0.3
811.41632	3.2
812.41608	0.6
930.34882	0.3
943.45660	100.0
944.45996	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	943.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58300	0.4
69.03343	1.9
71.01274	17.9
71.04910	1.4
71.61159	0.8
72.99203	2.4
73.02834	3.2
75.00771	1.6
77.21651	0.5
81.03363	1.4
83.01295	2.3
83.04929	1.0
85.02836	5.2
85.03289	0.5
87.00783	6.9
89.02339	9.1
93.03368	0.6
95.01303	1.6
97.02850	11.8
97.06504	1.6
99.00780	20.7
101.02351	10.5
109.02841	0.9
109.06513	3.1
110.03671	1.3
111.04477	0.8
113.02361	5.2
115.00279	0.9
119.03399	1.4
123.00837	0.6
123.08041	1.0
125.02361	8.3
125.09657	5.5
133.01422	0.5
135.08115	1.6
136.05244	1.4
141.01830	0.6
142.02667	3.5
143.03403	1.5
145.01387	0.6
161.04497	1.6
161.09656	0.7
163.10005	0.3
163.11232	9.8
168.87805	0.5
173.36760	0.4
173.98413	0.5
179.05598	1.8
179.10852	0.6
181.12314	23.1
182.12643	0.8
191.05582	0.9
197.11819	1.0
199.13411	3.6
203.05556	0.8
207.10257	63.9
208.10634	4.0
209.11932	0.6
221.06712	1.7
223.13585	0.7
225.11336	93.3
226.11714	5.1
235.08217	2.9
243.12405	31.2
244.12682	2.2
253.09154	0.7
263.07800	1.4
267.12378	1.0
276.17554	0.5
277.21783	51.2
278.22147	4.5
287.07840	0.8
299.15137	1.1
317.16220	2.4
352.42709	0.5
379.12555	1.8
387.16550	0.6
397.13666	7.9
405.17773	0.6
415.14700	1.9
425.17911	0.7
443.19321	1.0
577.37238	0.7
605.24677	31.9
606.25092	4.1
607.25299	0.5
623.25720	26.7
624.26312	2.8
883.47198	100.0
884.47565	25.3
893.90289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01769	1.5
68.99696	1.3
69.03345	0.6
71.01271	16.9
72.99200	2.4
73.02847	2.0
75.00766	3.3
83.01285	3.2
84.02045	0.6
85.02845	45.0
86.03166	0.9
87.00780	2.1
89.02335	7.7
93.03365	1.1
95.01295	5.0
97.02847	1.0
99.00781	8.7
101.02349	2.0
102.74770	0.3
108.36127	0.4
108.44059	0.4
109.02876	0.4
111.00796	4.7
111.01496	0.6
111.04435	0.5
112.01575	0.4
113.02362	32.8
114.02672	0.8
114.07142	0.3
131.03424	7.1
133.02924	0.4
134.03618	0.5
135.04460	0.5
139.00317	4.5
149.04530	0.6
149.91151	0.3
152.01118	0.4
157.01387	1.6
173.04521	0.6
191.05606	2.1
221.29660	0.4
255.03072	0.4
353.86328	0.4
441.30423	0.4
453.30026	1.4
455.31812	2.2
456.32053	0.5
457.17874	0.6
471.31458	1.8
483.31177	2.2
485.32690	1.3
486.33017	0.5
503.33926	5.1
504.34329	0.8
531.33600	1.3
532.33588	0.4
585.34265	0.6
599.36163	2.3
617.37195	1.3
730.62622	0.4
840.96356	0.4
943.45721	100.0
944.45990	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	943.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01779	2.6
68.99696	1.3
69.03339	0.8
69.34608	4.7
69.93896	0.4
71.01273	25.2
72.99198	5.5
73.02841	5.5
75.00764	6.0
78.70869	0.4
78.95807	0.9
83.01267	4.7
85.02846	18.0
85.99990	3.7
87.00771	17.7
89.01827	0.8
89.02342	14.1
93.03374	3.1
94.03701	0.4
95.01285	5.5
96.95905	2.0
96.96876	0.5
97.02857	0.8
99.00777	7.5
101.02355	8.9
105.39266	0.5
108.02106	1.3
109.02878	0.6
111.00790	5.7
111.04424	0.9
113.02358	18.4
119.03398	0.7
119.04929	1.6
121.02876	0.6
129.01854	1.2
130.04021	0.4
131.03432	32.5
132.03778	0.8
133.02896	0.7
134.03683	1.8
135.04428	1.6
137.02380	1.0
139.00317	5.7
139.03935	0.5
142.32820	0.5
145.02846	0.8
149.04498	3.9
149.05582	0.6
149.05965	0.4
150.03174	1.3
152.01076	2.3
155.03450	0.7
157.01352	1.8
160.01611	0.8
161.02357	0.9
161.04561	0.5
162.03108	0.8
163.03909	1.5
165.01912	0.5
165.05498	1.2
168.87857	0.4
173.04494	2.3
175.03926	0.9
175.79510	0.5
179.03566	0.7
179.05554	0.5
180.04146	0.5
191.05588	24.4
192.05940	0.8
193.05043	1.5
195.06522	1.0
269.76553	0.5
271.02579	0.5
275.09341	1.0
299.02023	1.8
375.20044	0.6
441.30414	0.6
449.14972	1.3
453.30203	1.7
455.31735	2.6
471.31323	1.5
483.31369	1.4
485.32468	1.2
487.67468	0.5
501.32648	0.7
503.33832	7.8
504.34326	1.1
522.33893	0.6
531.33490	2.1
599.36176	3.8
617.37085	1.7
943.45795	100.0
944.46088	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01779	2.6
68.99696	1.3
69.03339	0.8
69.34608	4.7
69.93896	0.4
71.01273	25.2
72.99198	5.5
73.02841	5.5
75.00764	6.0
78.70869	0.4
78.95807	0.9
83.01267	4.7
85.02846	18.0
85.99990	3.7
87.00771	17.7
89.01827	0.8
89.02342	14.1
93.03374	3.1
94.03701	0.4
95.01285	5.5
96.95905	2.0
96.96876	0.5
97.02857	0.8
99.00777	7.5
101.02355	8.9
105.39266	0.5
108.02106	1.3
109.02878	0.6
111.00790	5.7
111.04424	0.9
113.02358	18.4
119.03398	0.7
119.04929	1.6
121.02876	0.6
129.01854	1.2
130.04021	0.4
131.03432	32.5
132.03778	0.8
133.02896	0.7
134.03683	1.8
135.04428	1.6
137.02380	1.0
139.00317	5.7
139.03935	0.5
142.32820	0.5
145.02846	0.8
149.04498	3.9
149.05582	0.6
149.05965	0.4
150.03174	1.3
152.01076	2.3
155.03450	0.7
157.01352	1.8
160.01611	0.8
161.02357	0.9
161.04561	0.5
162.03108	0.8
163.03909	1.5
165.01912	0.5
165.05498	1.2
168.87857	0.4
173.04494	2.3
175.03926	0.9
175.79510	0.5
179.03566	0.7
179.05554	0.5
180.04146	0.5
191.05588	24.4
192.05940	0.8
193.05043	1.5
195.06522	1.0
269.76553	0.5
271.02579	0.5
275.09341	1.0
299.02023	1.8
375.20044	0.6
441.30414	0.6
449.14972	1.3
453.30203	1.7
455.31735	2.6
471.31323	1.5
483.31369	1.4
485.32468	1.2
487.67468	0.5
501.32648	0.7
503.33832	7.8
504.34326	1.1
522.33893	0.6
531.33490	2.1
599.36176	3.8
617.37085	1.7
943.45795	100.0
944.46088	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01774	1.3
68.99702	1.8
69.03340	0.4
71.01273	15.7
72.99200	3.2
73.02830	1.9
75.00777	3.8
79.29742	0.3
83.01274	3.4
84.02047	0.9
85.02844	42.4
86.03176	0.8
87.00777	2.1
89.02342	7.9
93.03366	3.4
95.01284	4.4
96.95934	0.7
97.02850	0.7
99.00780	9.3
101.02330	2.1
106.22712	0.3
108.02060	0.7
109.02870	0.7
111.00785	4.3
111.04418	0.4
113.02359	29.9
114.02688	0.7
119.04935	0.5
121.02941	0.4
129.01843	0.6
131.03416	7.2
133.02821	0.4
134.03661	0.9
135.04483	0.8
138.53229	0.4
139.00301	4.1
143.03459	0.4
149.04503	0.7
152.01117	0.9
153.01913	0.4
157.01353	1.1
161.02380	0.9
161.04582	0.4
162.03166	1.2
163.03932	1.1
163.07585	0.4
173.04553	2.0
178.06293	0.6
179.03357	0.5
182.66205	0.4
185.77039	0.4
187.01227	0.3
191.05582	4.3
192.05869	0.5
193.08685	0.6
195.06549	0.5
230.73071	0.5
255.03078	0.6
265.62927	0.3
275.09265	2.0
283.02670	0.9
285.04123	0.7
329.17566	0.4
347.19064	0.5
389.19299	0.4
441.30145	0.6
449.14819	4.2
453.30084	1.6
455.31839	2.2
456.31741	0.4
471.31152	2.4
483.31332	1.2
485.32571	2.9
501.32336	0.8
503.34006	6.9
504.34277	1.0
531.33539	1.4
585.34412	0.7
593.13141	0.5
599.36188	3.0
600.35999	0.4
617.37476	1.8
618.36780	0.6
943.45673	100.0
944.45978	24.3
944.65540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	4.6
71.01276	21.3
71.04902	0.8
72.99201	2.2
73.02854	2.9
81.03333	0.9
83.01283	2.1
83.04900	1.0
85.02837	4.9
87.00774	4.5
89.02341	16.1
95.01305	2.6
96.27109	0.8
97.02866	2.5
99.00813	1.1
101.02357	12.7
113.02359	9.2
119.03422	2.9
124.73466	0.8
125.02354	6.4
143.03448	3.2
161.04443	3.9
167.10696	3.7
171.33299	0.9
174.83177	0.7
179.05603	6.9
179.10883	0.8
179.14375	2.9
195.12271	1.1
195.13895	10.9
197.60406	0.7
205.12331	10.4
221.06549	1.4
223.13408	100.0
224.13768	5.3
235.08217	4.3
253.09261	1.3
255.23450	2.1
277.21793	57.5
278.22339	3.9
287.07941	1.7
301.09436	0.8
305.08841	2.3
305.17706	1.9
323.09839	1.5
379.12613	10.2
397.13599	39.9
398.13885	2.8
415.14636	8.6
531.85730	0.8
603.26868	14.1
604.27411	1.9
621.27869	16.8
622.28168	2.7
657.35034	1.6
675.35870	3.4
746.13995	0.8
846.45380	1.0
881.49323	5.8
882.49896	1.3
941.54291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01767	1.7
68.99719	1.5
69.03339	0.3
69.35693	0.4
69.36096	1.8
71.01272	22.0
72.01619	0.3
72.99205	3.6
73.02837	0.8
74.12544	0.2
75.00770	5.6
83.01281	3.0
84.02074	0.5
85.02843	13.4
87.00771	2.1
89.02340	12.9
93.03357	0.2
95.01286	6.0
97.02916	0.3
97.81106	0.2
99.00778	5.7
99.70574	0.2
101.02354	2.7
111.00795	6.9
112.01620	0.5
113.02364	12.6
114.02708	0.3
115.00243	0.3
127.00333	0.3
127.03954	0.2
129.01863	1.1
131.03447	1.6
139.00304	5.3
149.04495	0.4
157.01363	0.8
175.02286	0.2
191.05617	0.6
299.02530	0.2
333.48859	0.3
409.27200	0.3
421.27698	0.3
425.30807	0.5
437.30716	1.1
439.32343	3.2
440.32724	0.4
455.31821	0.9
467.31854	0.9
469.33423	1.4
485.32794	1.5
487.34445	5.9
488.34720	0.8
515.33942	0.7
583.36536	6.2
584.36835	1.0
601.37549	3.8
602.38031	0.4
795.42285	1.0
902.89459	1.5
903.39240	0.8
941.47729	100.0
942.48083	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01768	0.5
69.03349	0.4
69.46160	0.7
69.46583	0.5
71.01272	39.5
72.01608	0.6
72.99200	1.3
73.02840	0.9
73.03192	0.1
83.01286	1.4
84.02065	1.6
85.02846	58.1
86.03176	1.1
87.00777	1.4
89.02341	11.7
93.03272	0.1
95.01287	23.3
96.01621	0.6
97.02863	0.7
99.00787	0.7
101.02361	1.3
112.01593	0.3
113.02361	100.0
114.02698	1.8
115.03869	0.2
119.04996	0.2
125.02370	0.6
131.03435	1.4
135.04463	0.2
139.00323	1.1
143.03442	3.3
145.02960	0.2
149.04543	1.7
150.03110	0.2
161.04506	20.3
162.04851	0.5
191.05627	0.6
222.85123	0.1
248.47098	0.1
272.74359	0.1
275.59006	0.1
311.09894	1.3
312.09894	0.1
331.19440	0.3
439.32309	0.3
941.47729	40.7
942.48016	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	941.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01766	0.5
69.03343	0.3
71.01270	40.0
71.59840	0.3
72.01596	0.3
72.99200	1.4
73.02854	0.7
82.64297	0.2
83.01276	1.5
84.02039	1.2
85.02842	56.8
86.03178	0.9
87.00768	1.4
89.01769	0.3
89.02335	10.7
95.01284	21.5
96.01587	0.4
96.95911	0.8
97.02879	0.5
99.00771	0.9
101.02345	1.5
101.43010	0.2
104.96258	0.2
111.50037	0.2
112.01549	0.3
113.02354	100.0
114.02705	2.0
120.01144	0.3
125.02345	0.7
131.03427	1.7
135.04443	0.3
139.00287	1.5
143.03438	3.8
149.04478	1.3
161.02328	0.7
161.04500	21.0
162.04811	0.5
167.41870	0.2
167.94179	0.2
191.05562	0.5
191.07115	0.4
299.02029	0.7
311.10089	1.2
331.19205	2.2
332.19501	0.2
343.00372	0.2
387.14590	0.5
439.32092	0.9
795.42065	0.6
941.47632	49.8
942.48120	12.3
942.61584	0.2
942.67413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01785	1.1
68.99705	0.8
69.03333	0.5
69.30856	2.5
70.05357	0.2
71.01272	44.1
71.32076	0.2
72.01614	0.5
72.99200	2.4
73.02840	1.0
75.00745	1.4
78.06758	0.2
81.03349	0.2
83.01287	2.4
84.02052	1.7
85.02846	57.5
86.03188	0.8
87.00777	2.5
88.98707	1.8
89.02341	16.0
93.03399	0.3
95.01289	24.3
96.01606	0.6
97.02870	1.0
99.00775	2.8
101.02352	2.0
109.02861	0.3
111.00783	1.8
112.01646	0.3
113.02361	100.0
114.02711	2.2
125.02374	0.8
127.03941	0.3
129.93156	0.2
131.03441	1.9
135.04504	0.5
139.00296	2.7
139.41777	0.2
140.00615	0.3
143.03438	3.6
149.04521	1.9
157.01427	0.3
161.04507	22.1
162.04817	0.3
173.04436	0.3
191.05560	0.6
195.06636	0.3
272.47470	0.2
311.09903	1.3
331.19254	0.4
369.19272	0.2
377.32822	0.2
437.31052	0.3
439.32202	1.3
467.31787	0.5
487.34470	1.4
488.34882	0.4
583.36493	1.9
601.37469	1.2
713.07983	0.3
795.42932	0.3
941.47729	71.8
942.48053	18.9
950.92493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.421
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01783	0.4
69.03324	0.3
71.01272	5.4
71.59947	0.5
71.60317	0.5
72.99206	0.8
73.02844	0.8
73.17127	0.3
81.03336	0.7
85.02847	5.5
87.00792	1.9
88.00288	0.4
88.98701	10.3
88.99251	0.6
89.02342	3.8
91.01793	1.3
93.03396	0.4
95.01334	0.9
96.95887	1.0
97.02861	0.7
99.00789	0.6
99.04413	0.5
101.02346	0.8
103.03908	0.7
107.04945	0.4
109.02886	1.5
112.09315	0.3
113.02352	5.7
114.02666	0.3
116.92770	0.6
122.03642	1.6
125.02383	0.5
131.03398	0.6
133.10236	0.3
134.03676	0.4
135.00819	4.7
135.04451	0.7
136.01613	0.4
137.02367	2.9
143.03458	2.1
146.03670	7.3
147.00853	0.6
147.04164	0.5
149.02370	0.4
149.04555	0.5
150.03273	0.4
151.03955	0.4
153.01909	4.1
161.02458	0.6
161.04518	1.0
161.06038	1.9
161.09689	0.4
163.03947	0.5
163.06099	1.1
164.01147	0.4
164.04726	4.6
165.01886	24.1
165.05498	0.7
166.02231	0.8
173.09695	0.4
179.03474	8.3
179.07089	7.5
180.04256	13.9
181.04651	0.4
187.11308	0.6
189.05482	0.5
189.12827	16.8
190.13182	0.7
191.05605	1.0
191.07109	3.6
194.05780	2.0
195.06618	19.4
196.06934	0.6
205.08687	11.5
210.05330	3.6
225.07697	20.5
226.08075	1.0
243.13824	0.6
269.19073	2.4
283.02786	0.6
297.06213	1.2
299.09259	2.8
311.16531	0.6
313.18173	100.0
314.18558	8.5
327.08847	7.6
328.09174	0.8
331.19254	1.7
332.19553	0.4
342.11139	8.4
343.11600	0.7
357.13519	24.1
358.14063	1.5
401.53201	0.3
405.15906	9.8
406.16196	0.6
941.47711	8.7
942.49176	1.5
942.65906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01277	0.6
71.60952	0.2
72.24369	0.1
78.99768	0.1
81.03370	0.4
85.02850	0.5
88.70357	0.1
93.03350	1.0
95.01321	0.2
95.04960	0.2
95.78631	0.1
96.95929	0.4
97.02876	0.5
97.06503	0.4
99.04449	0.1
105.03393	0.4
107.04993	0.1
108.02113	0.2
109.02913	0.4
113.01620	0.1
113.02367	0.5
121.02875	1.7
122.03670	4.2
122.04556	0.2
123.04428	0.5
124.01610	0.2
125.02429	0.1
133.02904	0.6
133.06580	0.1
133.10211	0.2
134.03683	0.2
135.08070	0.4
136.01648	0.3
137.02414	0.2
145.06519	0.3
147.04477	0.2
147.08141	0.2
149.01431	0.2
149.02390	12.5
150.03177	25.9
151.03767	1.2
151.07541	0.2
153.05515	0.2
153.16422	0.1
157.56381	0.1
159.08101	0.5
160.05234	0.3
161.02400	4.4
161.04472	0.2
161.09612	0.7
162.02913	0.3
163.07654	0.3
164.04744	2.8
165.05528	28.7
166.05888	1.2
173.09709	0.8
175.07639	0.6
176.04761	2.8
177.05536	0.2
179.03473	8.0
180.04231	2.2
185.67134	0.1
187.11275	0.8
189.05562	0.4
189.12833	17.1
190.13155	0.9
191.05594	0.3
191.07111	4.3
192.07483	0.3
192.88097	0.1
193.08757	0.2
194.05824	7.3
195.06610	23.4
196.06970	1.1
203.14459	0.2
204.75133	0.1
205.06677	0.3
205.08696	12.2
206.09061	0.8
207.10181	0.7
209.08191	13.4
210.08583	0.6
221.08275	0.3
243.13989	0.4
255.23279	0.1
267.06604	0.2
267.75165	0.2
269.19180	2.3
270.19614	0.3
283.17081	0.4
285.18665	0.2
293.08456	0.1
298.08679	0.2
310.08594	0.4
313.18173	100.0
314.18512	9.1
327.08807	0.2
331.19217	5.2
332.19583	0.5
342.11163	2.6
343.11459	0.2
357.13528	12.3
358.13754	0.9
405.15625	11.7
406.16058	1.1
830.25476	0.2
834.03827	0.1
941.46771	0.5
969.45288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01782	0.8
69.03345	0.5
70.71257	0.3
70.71592	0.5
71.01271	40.5
72.01612	0.6
72.99205	1.2
73.02836	0.8
73.31570	0.2
74.50676	0.3
83.01273	1.3
84.02059	1.5
85.02843	57.4
86.03173	1.4
87.00774	2.0
87.04428	0.3
88.98689	0.3
89.02336	11.4
93.03360	0.4
95.01286	23.2
96.01598	0.4
96.95914	1.2
97.02850	0.4
99.00783	0.6
100.10644	0.2
101.02340	1.4
102.89890	0.2
112.01525	0.3
113.02357	100.0
114.02690	1.9
117.41530	0.2
125.02381	0.9
131.03426	1.6
133.02884	0.3
135.04454	0.7
135.70192	0.2
139.00293	1.7
143.02336	0.4
143.03427	3.6
149.04486	2.3
161.04503	27.2
162.03183	1.2
162.04790	0.6
173.04494	0.3
177.05547	0.7
179.03510	0.5
189.12901	0.2
191.05585	2.1
209.08113	0.5
224.52373	0.2
228.97209	0.2
271.02524	0.3
299.02075	0.4
311.09897	1.5
313.18143	1.9
439.32312	1.2
497.92310	0.2
576.67004	0.2
795.43219	0.3
836.60333	0.2
939.46198	45.6
940.46484	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	941.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01774	1.3
68.99740	1.1
69.03337	1.8
71.01272	26.2
71.57502	0.5
72.99203	9.1
73.02852	1.9
75.00764	12.8
80.02572	6.5
81.03362	1.5
83.01285	1.3
83.04937	0.7
85.02847	24.0
87.00772	8.1
89.02342	5.3
93.03339	4.8
95.01297	5.4
96.95926	1.7
97.92471	0.6
99.00780	11.6
99.04419	5.4
101.02342	2.8
103.00271	1.6
108.02112	0.8
109.02906	0.9
111.00837	0.8
112.01610	0.9
113.02361	28.9
115.00280	1.7
117.01851	1.4
117.03395	0.9
119.04948	100.0
120.05253	4.1
121.02840	0.9
121.06550	1.4
125.02411	0.8
129.01807	1.6
131.03424	0.9
133.02811	0.8
134.48518	0.6
135.04460	1.1
136.01535	0.6
137.02367	1.7
145.02893	2.8
149.04530	0.8
151.03992	1.1
155.03461	0.6
157.01363	1.1
161.02385	1.9
161.04541	0.9
163.03960	44.6
164.04338	1.6
173.04510	2.6
174.10574	0.6
175.02463	1.9
175.03938	0.8
179.03458	1.2
189.12819	23.1
190.13176	1.4
191.05573	8.2
195.06578	1.1
205.05273	0.9
205.07213	2.2
207.05086	0.8
207.13914	9.3
208.14255	0.7
209.12201	0.6
233.11855	1.9
249.06195	8.0
251.12930	7.0
267.07281	16.6
283.02353	0.9
311.09421	1.3
439.19702	8.9
440.20273	0.8
457.13614	12.9
458.13849	1.5
483.18924	4.1
497.72562	0.7
501.20007	3.8
673.25049	1.3
856.61682	0.8
910.91388	1.2
941.32996	94.7
942.33447	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	939.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01777	1.8
68.99705	1.1
69.03304	0.2
70.67590	0.5
70.67976	0.4
71.01270	21.8
72.01605	0.5
72.99204	3.6
73.02821	1.2
75.00764	5.0
79.95646	0.6
81.03339	0.3
82.41286	0.2
83.01279	3.2
84.02042	0.3
85.02844	19.0
85.98907	0.2
86.00008	0.2
86.03175	0.5
87.00771	1.7
87.04395	0.9
88.98728	0.2
89.02341	10.9
93.03348	0.3
95.01285	8.0
96.01659	0.4
96.95911	6.5
96.96858	0.3
97.02839	0.6
98.95507	0.5
99.00169	0.4
99.00784	6.4
100.01089	0.2
101.02357	1.9
109.02853	0.4
111.00798	6.1
112.01581	0.4
113.02358	21.3
114.02698	0.5
115.03942	0.3
119.03428	0.2
119.04971	0.5
125.02354	0.8
129.01875	1.3
131.03409	1.1
139.00314	5.2
140.00705	0.2
143.03436	1.3
149.04504	0.6
157.01393	1.0
161.04497	1.7
173.04539	0.4
175.02444	0.2
191.05576	1.7
241.87355	0.2
313.18222	0.4
331.19174	0.6
399.82770	0.2
409.27438	0.3
421.27460	0.3
425.30954	0.6
437.30670	1.0
439.32227	3.1
440.32501	0.4
455.31702	1.1
467.31793	2.1
469.33441	1.0
485.33115	1.2
487.34412	6.3
488.34863	0.9
515.33887	0.5
569.34967	0.2
581.34613	0.7
583.36591	4.4
584.36902	0.7
599.35864	1.1
601.37646	1.6
795.42053	0.8
894.34662	0.2
939.46191	100.0
940.46460	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	937.373
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00211	0.5
69.03341	0.3
69.54834	0.9
71.01262	0.9
73.02820	0.6
73.89290	0.1
78.95821	0.3
80.02565	0.2
81.03345	4.5
82.03703	0.1
83.01278	1.2
85.02846	0.4
85.06492	0.7
87.00758	0.1
87.04419	0.5
89.02346	0.2
93.03360	0.3
95.04975	0.1
96.95930	0.2
96.96848	0.3
97.02883	0.2
101.02348	0.6
103.78297	0.1
107.01285	0.7
108.02026	0.2
109.02864	0.1
109.06497	2.7
110.06853	0.2
111.04428	4.4
112.04743	0.1
113.02354	0.3
119.04971	0.1
121.02852	0.2
121.76046	0.1
122.03642	1.4
123.04463	0.2
123.08076	0.7
124.08424	0.2
125.02367	6.1
126.02707	0.4
127.07557	0.2
131.03381	0.1
133.02808	0.2
133.06563	0.2
135.04459	0.3
136.05226	0.1
137.02390	0.2
139.03912	0.1
148.01620	0.1
149.02408	0.5
151.00354	1.1
151.07587	31.6
152.01018	0.3
152.07939	2.1
153.05507	0.4
153.08124	0.2
161.02325	0.3
161.04501	0.2
162.03104	0.2
167.03436	0.2
177.01820	0.1
177.05580	0.9
177.81358	0.1
179.03424	0.2
191.03688	0.2
191.05566	1.0
191.07161	0.7
192.07410	0.2
195.06606	100.0
196.06938	7.6
197.07149	1.0
198.07516	0.1
205.08717	0.4
206.08955	0.2
207.06602	0.2
209.08163	0.3
219.06631	1.9
220.07025	0.5
221.07040	0.1
237.07671	1.0
238.08028	0.3
239.08171	0.1
249.07660	0.3
251.50484	0.1
261.07770	0.1
264.04282	0.1
271.02264	0.1
283.02460	0.4
299.01941	0.6
313.03525	0.2
313.18170	0.2
329.17618	1.7
330.17957	1.5
331.18210	0.6
339.10956	0.1
345.66483	0.1
357.11966	3.5
358.12280	0.4
368.27451	0.1
396.55179	0.1
399.13019	1.9
400.13370	1.3
401.13525	1.0
493.24615	0.3
535.25580	9.1
536.26031	1.1
553.26349	0.2
688.30524	0.2
689.31219	0.6
844.37634	0.1
893.38422	4.3
894.38171	0.8
937.34961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30407	0.7
69.30828	2.0
70.96118	0.2
71.01270	2.1
73.02832	0.4
83.01308	0.2
85.02834	2.2
87.04411	0.5
89.02340	0.3
89.03860	3.0
97.02837	0.3
98.19753	0.4
99.00807	0.8
99.04443	0.3
101.02354	0.7
106.04135	0.5
108.02071	0.3
113.02366	2.0
117.03385	8.7
119.04924	0.2
121.02873	0.5
125.02341	0.4
127.07522	0.4
131.03448	0.3
132.01166	0.4
132.02116	6.4
133.02904	1.6
134.03667	95.0
135.03963	2.6
137.02396	0.5
143.03471	0.6
145.02925	0.3
146.03693	0.5
147.04485	0.4
148.05246	6.7
149.06033	9.0
150.06485	0.3
151.07599	0.6
158.02441	0.4
158.03679	4.8
159.04170	0.4
160.01608	36.8
161.01993	1.2
161.04477	0.9
163.07597	3.1
165.05559	0.3
173.06003	4.2
174.03181	0.5
175.03963	48.7
176.04347	2.1
178.02634	0.6
179.03423	0.4
188.04724	0.4
191.05536	0.7
191.07126	1.1
193.05037	100.0
194.05383	4.2
195.06602	2.6
201.01924	4.9
202.02693	7.8
203.03281	0.3
217.05052	17.4
218.05515	1.2
233.08252	0.3
247.06345	0.4
259.06293	0.4
295.78241	0.2
319.08188	0.4
331.19238	0.8
349.20102	0.9
364.08044	0.6
379.10428	71.8
380.10779	5.8
393.11856	0.5
399.12997	0.6
439.31989	0.9
483.16458	0.3
501.18222	1.4
532.16431	0.3
543.18835	15.3
544.19165	1.6
770.35181	0.8
770.84967	0.5
793.12738	0.3
836.37854	0.3
842.87366	0.4
908.37598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	5.4
71.55084	0.4
72.99177	0.4
73.02838	1.7
74.15453	0.2
75.16827	0.2
81.03344	1.8
83.01269	1.8
85.02843	2.6
85.06494	0.3
87.00779	0.5
87.04413	0.4
89.02337	1.1
93.03305	0.3
95.01279	0.6
95.12111	0.3
97.02863	0.4
99.00776	0.7
100.90330	0.2
101.02350	4.9
102.98535	0.3
107.01282	0.3
108.02074	0.2
109.06496	1.1
111.04400	2.1
113.02352	2.4
116.06342	0.2
119.03381	0.5
122.03612	0.6
123.04423	0.5
125.02376	4.5
134.03674	0.5
135.04475	0.6
139.03951	0.5
149.02402	0.7
151.00334	0.8
151.07585	27.7
152.01083	0.3
152.07945	1.4
153.05504	0.3
161.02438	0.4
161.04539	2.3
165.05542	0.5
167.03291	0.2
169.85649	0.2
177.05576	0.5
179.03462	0.6
179.07082	0.5
191.05576	1.0
191.07135	0.6
193.05055	0.6
194.05627	0.5
195.06602	100.0
196.06952	5.1
207.06596	0.6
209.08212	1.9
215.20520	0.2
219.06621	16.8
220.06979	0.9
237.07693	6.9
238.07993	0.5
248.42039	0.2
249.07695	1.9
259.88168	0.2
279.08777	0.3
283.04904	0.5
297.09875	0.7
331.17688	5.5
332.18051	0.4
339.10968	0.4
353.08859	0.3
357.11975	85.7
358.07632	0.4
358.12268	7.1
359.12543	0.4
373.13968	0.5
373.18726	10.9
374.14392	0.2
374.19009	1.3
375.16406	0.4
406.76392	0.3
486.98196	0.2
519.17651	0.3
581.15094	0.3
705.08331	0.3
907.44232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00208	0.3
65.45181	0.1
69.03358	0.2
69.40856	1.4
71.01264	0.3
71.04899	0.4
80.02570	0.1
81.03346	3.9
83.01283	0.6
85.02863	0.2
85.06481	0.6
87.04419	0.5
93.03371	0.3
95.04939	0.4
96.95930	0.2
97.02848	0.5
107.01295	0.3
107.04946	0.2
108.02066	0.2
109.02879	0.3
109.06497	2.1
110.63460	0.1
111.04435	3.1
113.02392	0.2
121.02852	0.4
122.03661	1.2
123.04436	0.4
123.08064	4.3
125.02370	5.8
127.07522	0.2
135.04440	0.2
137.02306	0.2
139.03931	0.5
144.71005	0.2
146.03664	0.1
147.08237	0.2
149.02383	1.0
149.05988	0.2
151.00345	0.9
151.07584	36.0
152.01073	0.4
152.07928	1.4
153.05522	0.4
161.09581	0.2
163.07506	0.2
165.05522	0.5
167.03447	0.4
175.00317	0.5
175.03761	0.2
177.05524	0.7
179.03424	0.2
179.07095	0.6
191.05635	0.3
191.07104	3.7
192.07437	0.2
193.05074	0.1
194.05809	0.2
195.06601	100.0
196.06938	4.9
201.05528	0.3
205.08681	2.4
206.09363	0.3
207.06622	0.8
208.07329	0.2
209.08192	1.9
219.06624	13.6
220.07057	0.8
221.08156	0.9
237.07678	5.7
238.08141	0.2
249.07715	1.6
261.07712	0.3
285.18494	0.3
299.01935	0.3
329.17636	26.8
330.17996	2.6
339.10797	1.3
347.18784	1.5
348.19083	0.2
357.11966	3.4
379.51276	0.2
381.11987	0.4
399.13022	32.6
400.13354	3.3
533.16742	1.3
687.30359	7.1
688.30688	1.4
729.31683	0.3
795.07849	0.2
829.32507	0.2
917.38934	0.2
958.75366	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01769	0.1
67.79009	0.1
69.70043	0.6
71.01276	2.0
72.99200	0.1
73.02842	0.8
83.01291	0.4
85.02840	0.9
87.00780	0.3
89.02336	0.6
93.03362	0.9
95.01320	0.1
98.19733	0.1
99.00835	0.2
101.02338	1.3
111.00787	0.1
111.04444	0.2
113.02399	0.5
119.03468	0.2
119.04950	0.4
121.02859	0.5
121.06469	0.1
122.03663	0.3
133.02939	0.2
133.06456	0.1
134.03662	0.2
135.04443	0.4
137.02361	0.1
145.02945	0.1
147.04500	0.8
148.05243	94.8
149.05576	5.3
150.03125	0.1
150.05856	0.3
159.02904	0.1
161.04568	0.2
163.07597	100.0
164.07927	5.8
164.09343	0.2
165.05476	0.1
165.08188	0.2
173.04536	0.8
179.03540	0.2
187.07584	0.1
191.05597	1.6
192.05954	0.1
201.14993	0.3
203.05559	0.3
275.09381	0.2
337.09351	0.4
359.28198	0.7
367.14056	3.3
368.14343	0.4
449.14462	0.4
483.12897	0.1
520.32050	0.3
521.33417	8.3
522.33752	0.8
933.28113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.584
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01779	0.9
69.03345	23.0
70.03683	0.4
71.01274	0.7
71.04908	1.0
78.95370	0.6
78.95797	6.5
83.04904	0.6
85.02833	1.8
85.06500	1.6
91.26029	0.4
96.96844	0.4
97.02853	45.2
98.03177	0.8
99.04420	2.8
100.04726	0.6
101.06001	1.8
115.03926	10.3
121.06510	2.8
122.06849	0.4
123.08058	0.3
133.02904	0.6
135.04474	0.5
135.08041	0.4
145.71001	0.4
152.99541	3.6
156.15530	0.4
161.02444	0.7
163.11172	0.3
165.12823	0.5
168.04250	2.1
177.01709	0.3
179.03311	0.4
191.05605	1.2
224.06981	1.0
242.08009	3.8
259.20734	0.5
271.20758	0.4
275.20468	0.5
275.23883	1.6
277.21777	100.0
278.22116	9.7
279.22470	0.6
289.21985	0.4
301.21768	3.1
315.19531	0.5
319.22855	24.1
320.23306	2.3
320.96985	0.3
329.28473	1.3
335.22482	0.5
373.27515	2.5
415.25021	1.4
416.25266	2.5
417.26544	52.6
418.26968	6.2
502.29529	91.2
503.29868	12.3
504.30383	0.7
555.95660	0.4
638.16083	0.4
663.42535	0.4
875.50769	0.9
934.58344	2.6
935.57788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01792	0.4
71.01273	1.2
71.57079	0.4
73.02824	0.3
81.03349	0.3
83.04922	0.3
85.02844	5.1
87.00782	1.3
93.03366	3.9
95.94896	0.3
107.04937	1.0
108.89621	0.2
109.02889	0.6
111.04433	1.9
113.02347	0.4
127.03942	1.6
133.02885	2.0
134.03677	3.1
135.04451	52.0
136.04787	2.5
137.02382	1.0
155.03436	2.7
161.02390	6.7
171.02913	0.7
173.04509	9.3
174.04802	0.5
179.03461	50.3
180.03796	2.6
191.05583	92.7
192.05914	3.5
335.07755	1.1
348.79279	0.3
353.08847	100.0
354.09186	8.6
386.95667	0.3
515.12054	17.8
516.12549	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	933.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78935	1.0
71.01267	0.8
72.30348	0.1
73.02848	0.5
75.57338	0.1
81.03369	0.3
83.01308	0.2
83.04923	0.5
85.02840	4.5
87.00755	0.8
89.02364	0.2
91.05455	0.2
93.03358	2.6
101.02358	0.6
107.04955	0.8
109.02866	0.6
111.04428	1.6
113.02376	0.4
113.88940	0.2
127.03920	1.6
129.01918	0.2
133.02896	1.8
134.03694	2.8
135.04449	48.7
136.04770	2.1
137.02382	0.4
143.03494	0.3
155.03438	2.0
161.02400	5.6
161.04430	0.2
162.02773	0.3
171.02934	0.3
173.04515	4.0
174.04921	0.2
179.03458	52.9
180.03801	2.2
191.05583	100.0
192.05930	3.2
195.06720	0.2
300.72906	0.2
335.07968	0.5
351.07416	0.3
352.07318	0.2
353.08841	95.7
354.09198	7.5
355.09445	0.2
436.82761	0.2
491.12195	0.3
515.12054	8.8
516.12280	1.7
548.95599	0.2
935.82648	0.2
961.25824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.29
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03344	0.2
69.28145	1.6
71.01278	1.2
73.02827	0.6
79.14027	0.2
80.84855	0.2
81.03348	1.0
83.01273	0.4
85.02861	0.3
85.06454	0.3
89.03854	1.4
93.03365	0.2
94.19481	0.2
95.04955	0.3
97.02879	0.3
99.04404	0.4
101.02370	0.3
108.02106	0.2
109.02821	0.2
109.06492	0.4
111.04398	1.1
112.97264	0.2
113.02304	0.2
117.03375	6.8
118.03680	0.2
121.02882	0.2
122.03651	0.5
125.02365	1.9
132.02089	0.9
133.02922	1.0
133.05003	0.3
134.03662	69.3
135.03949	2.3
136.01584	0.2
137.02364	0.9
139.03989	0.4
147.04440	0.6
149.02393	0.6
149.04845	0.4
149.06021	6.8
150.06413	0.2
151.00365	0.4
151.03955	0.3
151.07587	11.0
152.07910	0.4
159.08046	0.2
160.01599	8.3
160.05215	0.4
161.02313	0.6
162.06834	0.2
162.37383	0.2
165.05449	0.4
175.03961	11.1
176.04370	0.3
177.01826	0.4
177.05501	0.2
178.02660	0.6
179.03470	0.3
189.05428	0.3
190.88840	0.2
191.05516	1.0
191.07063	0.2
193.05032	100.0
194.05370	4.7
195.06601	34.9
196.06963	1.5
202.06367	0.5
209.08203	0.6
219.06609	6.5
220.06992	0.5
232.07565	0.3
237.07680	2.1
249.07700	0.6
282.12308	0.2
294.07513	0.5
300.79276	0.2
309.09860	30.9
310.10242	1.9
324.61880	0.2
353.08871	0.6
357.11987	35.7
358.12372	2.5
369.07202	0.4
369.11957	8.2
370.12247	0.6
403.89877	0.2
410.21451	0.2
413.14566	0.4
560.09552	0.3
592.32501	0.2
808.31189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5811
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07372	0.2
67.01762	0.2
69.03349	2.1
70.38901	0.2
70.39242	0.5
71.01283	1.0
71.04907	0.5
72.63686	0.2
73.02833	0.2
75.00760	0.3
81.03347	0.5
83.04912	1.1
85.02845	0.7
85.06487	0.3
87.00784	0.2
89.02333	0.6
93.03357	0.4
93.06966	0.3
95.04969	0.2
97.02828	0.2
97.06474	0.9
99.04417	90.6
99.66306	0.2
100.04759	1.8
101.02349	0.5
101.05972	1.3
105.07019	0.2
107.04892	0.3
109.06504	1.1
111.04413	0.2
111.08050	0.6
113.02354	0.3
121.06520	0.3
121.10149	0.7
123.08078	0.9
125.05977	0.7
135.02885	0.4
135.04469	0.3
135.08051	0.2
137.09636	0.4
141.09167	0.1
145.10147	0.4
147.08092	0.3
147.11739	0.5
149.09679	1.5
151.09358	0.2
151.11209	1.4
153.12766	0.3
161.04543	0.2
161.99312	0.1
163.11223	4.0
163.12506	0.3
165.12825	1.8
169.12288	0.2
171.10249	0.2
173.04482	0.2
177.12790	0.4
181.12286	2.8
185.11790	0.4
187.14885	0.6
189.12822	0.5
191.05623	1.0
195.10211	0.4
197.11789	0.7
201.11313	0.7
201.16457	0.4
203.18066	1.0
205.15907	1.0
209.11810	0.9
213.11470	0.4
217.15938	0.5
221.19208	0.2
233.11795	0.2
235.08173	0.4
253.09319	1.3
259.20831	0.2
261.22232	0.8
265.65198	0.2
271.20612	0.2
273.22293	27.1
274.22632	2.4
277.21780	8.3
277.24832	0.4
278.22171	0.7
289.21829	0.6
291.23376	4.0
292.23752	0.5
317.21173	0.6
318.21539	0.2
319.22745	0.3
329.28305	0.2
335.22403	1.8
336.22809	0.2
349.64166	0.2
355.26620	1.3
356.27267	0.2
357.95810	0.2
373.27548	42.4
374.27875	5.2
379.12564	0.2
397.13455	0.8
417.26541	100.0
418.26874	11.9
501.33493	0.2
606.89801	0.2
871.46899	0.2
899.46661	0.5
931.48969	0.8
932.48822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77811	0.2
70.78155	0.5
78.95789	6.5
90.70466	0.2
96.96857	0.6
150.97862	0.2
152.99522	13.6
171.00533	0.8
180.55394	0.2
209.93770	0.2
227.03249	2.1
237.22119	0.2
245.04253	1.2
255.23325	100.0
256.23666	8.3
279.23309	0.8
444.01685	0.2
447.24951	0.3
483.27390	80.0
484.27740	9.9
484.34952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	3.7
71.01270	2.0
71.04897	0.2
72.99192	0.2
73.02853	0.6
73.03179	0.1
81.03320	0.1
83.01276	0.2
83.04909	0.3
85.02834	0.6
87.00771	0.3
89.02328	1.5
93.03355	0.2
95.01304	0.3
97.02864	0.1
97.06484	0.2
99.00779	0.2
99.04424	27.2
100.04783	0.6
101.02357	2.2
111.04447	0.3
111.08042	0.2
113.02351	1.1
119.03474	0.6
121.06535	0.1
123.08080	0.5
125.02369	0.3
125.09669	1.3
126.09911	0.1
131.08601	0.2
135.02893	0.2
143.03435	0.1
149.13312	0.3
157.04976	0.1
161.04535	1.0
163.11247	0.2
165.12820	0.4
167.10748	0.9
167.14388	0.7
169.12302	0.2
171.10176	0.1
179.05540	0.2
185.11830	0.4
189.12862	0.2
190.59247	0.1
191.05635	0.5
191.14435	0.1
195.10394	0.3
201.11343	0.2
209.11816	0.5
213.11331	0.4
218.94882	0.1
221.19102	0.1
228.96432	0.1
229.77042	0.1
233.22948	0.2
235.08234	1.8
235.10426	0.2
253.09338	13.0
254.09718	0.5
259.20673	0.2
261.22256	1.4
271.20804	0.2
273.22345	1.2
274.22681	0.2
275.20132	0.2
277.21790	71.7
278.22134	6.2
289.21942	0.3
291.23349	1.0
298.64249	0.1
299.20279	0.7
301.18152	0.2
305.21310	1.8
306.21591	0.2
314.12772	0.1
317.21298	10.3
318.21661	0.8
335.22375	46.0
336.22717	4.9
379.12650	0.2
397.13925	0.6
399.25507	0.5
400.25943	0.1
417.26575	100.0
418.26910	13.2
418.32858	0.2
513.30469	0.7
931.48651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85835	0.4
67.01769	0.9
68.99715	0.6
69.03345	1.4
71.01272	67.1
72.01611	1.1
72.99197	2.3
73.02838	28.1
75.00761	1.7
76.49330	0.4
79.79004	0.4
81.03377	0.8
83.01278	11.4
83.04913	0.7
84.02074	0.5
85.02847	35.6
86.03165	0.6
87.00785	4.5
89.02341	10.5
93.03361	10.8
95.01300	5.4
96.95924	1.7
97.02853	2.6
98.20593	0.7
99.00775	10.0
101.02351	47.4
102.02710	1.1
111.00793	0.7
111.04432	1.3
113.02360	30.5
114.02697	0.6
115.03955	0.7
119.03458	2.7
119.04950	1.7
123.04462	0.7
125.02369	3.8
129.01857	1.8
131.03450	1.8
133.02855	0.6
134.03647	1.6
135.04451	2.0
135.92819	0.5
137.02386	8.4
138.02760	0.6
143.03465	4.0
143.52283	0.4
145.02872	1.6
146.03528	0.4
149.04506	2.0
151.00296	0.8
155.03574	0.9
159.02965	5.7
160.01567	0.5
160.90627	0.4
161.02357	1.9
161.04504	25.5
162.04886	1.1
163.03978	1.5
163.07567	0.8
173.04514	4.9
175.04016	0.7
176.00073	0.5
178.02583	0.7
179.03455	0.9
179.05605	0.5
191.05577	11.1
191.07326	0.5
192.05972	1.0
195.06662	1.0
203.05595	1.2
205.03409	0.9
221.06616	1.4
226.06166	0.6
233.06705	0.9
237.18568	2.0
251.07294	0.6
255.03035	1.0
275.09265	1.1
283.02554	1.8
287.49945	0.4
293.08932	0.6
301.03516	0.5
313.16653	5.3
314.17154	0.5
327.09134	0.5
353.12854	0.5
381.22852	2.4
399.23969	53.9
400.24313	6.2
441.25034	100.0
442.25342	11.3
443.22916	1.1
445.11017	1.8
445.20883	57.1
446.21158	6.0
449.14694	3.5
481.17355	1.6
485.24106	3.5
657.78186	0.6
848.94958	0.5
887.34009	0.7
931.33398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85835	0.4
67.01769	0.9
68.99715	0.6
69.03345	1.4
71.01272	67.1
72.01611	1.1
72.99197	2.3
73.02838	28.1
75.00761	1.7
76.49330	0.4
79.79004	0.4
81.03377	0.8
83.01278	11.4
83.04913	0.7
84.02074	0.5
85.02847	35.6
86.03165	0.6
87.00785	4.5
89.02341	10.5
93.03361	10.8
95.01300	5.4
96.95924	1.7
97.02853	2.6
98.20593	0.7
99.00775	10.0
101.02351	47.4
102.02710	1.1
111.00793	0.7
111.04432	1.3
113.02360	30.5
114.02697	0.6
115.03955	0.7
119.03458	2.7
119.04950	1.7
123.04462	0.7
125.02369	3.8
129.01857	1.8
131.03450	1.8
133.02855	0.6
134.03647	1.6
135.04451	2.0
135.92819	0.5
137.02386	8.4
138.02760	0.6
143.03465	4.0
143.52283	0.4
145.02872	1.6
146.03528	0.4
149.04506	2.0
151.00296	0.8
155.03574	0.9
159.02965	5.7
160.01567	0.5
160.90627	0.4
161.02357	1.9
161.04504	25.5
162.04886	1.1
163.03978	1.5
163.07567	0.8
173.04514	4.9
175.04016	0.7
176.00073	0.5
178.02583	0.7
179.03455	0.9
179.05605	0.5
191.05577	11.1
191.07326	0.5
192.05972	1.0
195.06662	1.0
203.05595	1.2
205.03409	0.9
221.06616	1.4
226.06166	0.6
233.06705	0.9
237.18568	2.0
251.07294	0.6
255.03035	1.0
275.09265	1.1
283.02554	1.8
287.49945	0.4
293.08932	0.6
301.03516	0.5
313.16653	5.3
314.17154	0.5
327.09134	0.5
353.12854	0.5
381.22852	2.4
399.23969	53.9
400.24313	6.2
441.25034	100.0
442.25342	11.3
443.22916	1.1
445.11017	1.8
445.20883	57.1
446.21158	6.0
449.14694	3.5
481.17355	1.6
485.24106	3.5
657.78186	0.6
848.94958	0.5
887.34009	0.7
931.33398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01285	0.1
78.95793	1.7
79.95629	2.9
84.18704	0.1
87.00758	0.1
88.98689	0.5
89.02354	0.1
94.92424	0.1
94.97970	0.2
96.95914	100.0
97.95863	0.3
105.65724	0.1
111.04426	0.1
122.03719	0.1
125.02360	0.2
150.34122	0.1
151.07585	0.9
155.92281	0.1
171.10274	0.1
191.05560	0.2
195.06602	3.2
196.06970	0.2
197.11697	0.1
219.06651	0.6
229.82425	0.1
237.07712	0.2
293.03653	0.1
313.18158	0.4
337.14188	0.1
357.11993	1.9
358.12317	0.2
455.08749	0.1
671.30646	0.2
771.66833	0.1
931.33313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.458
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01748	0.3
69.03344	3.8
71.01272	94.4
71.04887	0.3
71.57678	0.4
72.01610	1.2
72.99198	4.1
73.02838	100.0
74.03172	1.6
75.00765	2.5
81.03355	1.0
81.61612	0.3
83.01279	37.1
84.01613	0.6
84.02059	0.3
85.02440	0.2
85.02846	9.6
87.00773	3.6
89.02341	16.2
93.03366	1.2
95.01287	3.5
97.02853	3.4
99.00806	1.6
99.04419	0.7
101.02350	90.2
102.02677	1.7
105.03374	0.3
109.02860	0.6
111.00810	0.5
113.02359	36.1
114.02690	0.8
115.03889	0.3
115.61971	0.3
117.01858	0.6
119.03423	10.5
119.04926	1.0
119.25024	0.3
123.00761	0.3
123.08076	0.9
125.02370	4.0
127.03964	0.3
127.07573	7.0
131.03436	11.0
133.02875	0.7
134.03654	0.3
135.04446	0.5
143.03433	13.6
145.02820	0.4
147.02910	0.8
147.08131	1.3
149.02408	2.4
149.04495	23.8
150.03175	1.3
150.04855	0.9
155.03435	4.2
156.02658	0.3
161.04507	34.4
161.09665	1.0
162.04892	0.8
163.03955	1.0
163.11253	1.4
164.04732	0.9
164.11577	0.3
165.05510	1.8
165.09148	0.3
165.59267	0.3
173.04524	1.1
175.34428	0.3
179.03452	0.5
179.05632	1.2
187.07588	0.3
191.05563	3.5
191.07129	10.8
192.07384	0.6
195.06606	0.7
201.09221	0.4
203.05580	5.8
203.10805	0.7
203.14287	0.4
205.08687	7.5
206.09273	0.8
207.10370	0.4
215.07271	0.3
221.06636	15.2
222.07120	0.3
229.08740	0.4
255.03105	0.3
269.19214	0.6
283.02563	0.4
284.03351	0.4
285.04092	0.9
285.18640	0.3
286.23111	0.3
313.14822	0.4
313.18207	3.9
314.11530	1.3
327.12451	0.3
329.13995	3.3
329.17609	1.3
329.21146	0.5
330.18011	0.6
331.19220	69.7
332.19568	7.8
345.20883	0.5
347.18674	0.4
349.20285	50.1
350.20587	5.1
350.97134	0.3
363.21942	0.4
373.20273	4.4
374.20676	0.4
377.15900	1.4
391.21439	2.0
403.21356	0.4
418.13766	0.3
418.64221	0.7
420.20975	0.8
515.21381	0.3
528.66382	0.3
745.11273	0.3
931.38525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00208	0.7
67.01774	1.8
69.03327	0.4
69.25465	0.2
71.01272	2.0
71.57101	0.4
73.02838	0.5
78.95795	2.6
81.03351	0.6
83.01289	1.1
83.04932	0.6
85.02847	4.3
87.00780	3.3
89.02333	0.3
91.01789	0.5
93.03361	14.5
94.03768	0.3
95.01290	0.6
96.96873	2.2
99.04396	0.4
101.02352	0.9
107.01302	2.8
108.02082	0.5
109.02851	1.4
111.04440	1.9
113.02364	0.8
115.00281	0.4
117.03391	2.3
119.01321	0.2
119.04950	8.5
121.02856	0.4
127.03932	1.3
129.01848	0.5
130.04153	0.3
131.03433	0.2
131.04973	0.5
132.02061	0.5
133.02895	0.6
133.06514	0.3
134.03661	0.3
135.00819	0.7
135.04463	0.4
137.02361	0.9
141.07031	0.3
143.04953	2.1
145.02895	7.6
145.06535	0.5
146.03270	0.4
147.00754	0.2
151.00330	3.8
151.69179	0.3
153.01846	0.6
154.04160	0.5
155.03427	1.2
156.05850	0.3
157.01338	0.2
157.06544	1.0
158.03777	0.3
159.04451	1.8
161.02388	0.5
161.04745	0.3
161.06055	0.9
163.00320	2.7
163.02689	0.4
163.03960	6.0
164.01068	0.5
165.01933	0.6
167.04991	0.7
169.01363	1.0
169.06540	1.1
171.03099	0.5
171.04503	1.2
173.04530	4.6
173.05994	0.5
182.03680	0.4
183.04489	0.4
185.02429	0.4
185.06062	2.9
187.03983	3.9
189.05556	1.5
191.05586	40.5
192.05945	1.3
195.04518	0.7
196.05318	0.3
197.06073	1.1
199.03944	1.2
201.05531	0.8
205.05048	0.7
211.04025	2.2
211.07582	2.5
212.04655	0.4
212.07996	0.2
213.05556	2.6
214.02737	0.7
223.07652	1.4
227.03511	10.9
228.03893	0.7
229.05084	13.2
230.05417	0.7
233.09473	1.0
237.09200	1.0
239.03502	1.8
240.04207	1.2
241.05130	2.0
243.02937	0.5
243.05121	0.3
249.09264	0.5
251.10719	0.6
255.03038	17.0
256.03647	3.3
257.04590	8.1
258.04938	0.3
265.08707	1.1
267.03024	0.9
283.02591	0.4
283.09848	0.4
283.99960	0.4
284.03336	24.7
285.04108	100.0
286.04434	7.1
307.08325	0.9
309.07657	0.7
327.08844	2.0
337.09464	0.8
379.10434	0.5
447.09628	1.4
465.23376	0.3
501.13937	0.5
593.13190	6.6
594.13428	1.1
645.18170	3.1
650.23059	0.3
677.48871	0.3
713.19135	0.7
750.43353	0.3
757.17932	6.8
758.18420	1.3
795.67102	0.3
931.23187	26.2
932.23639	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	931.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00227	0.9
67.01785	1.8
69.03363	0.7
69.40997	2.1
71.01267	2.6
72.39516	0.2
72.99203	0.3
73.02842	0.8
76.14806	0.2
78.95805	0.6
81.03378	0.5
83.01274	1.4
83.04926	0.7
83.78915	0.3
85.02839	4.4
85.03271	0.3
85.52786	0.3
87.00777	3.3
89.02348	0.6
91.01800	0.5
93.03362	16.1
94.03706	0.4
94.39586	0.2
95.01299	0.7
96.95908	1.8
96.99258	0.3
97.02875	0.3
99.00810	1.0
99.04430	0.3
101.02345	1.2
107.01291	3.0
108.02103	0.5
109.02877	1.8
111.00804	0.3
111.04446	2.0
113.02384	1.0
115.00322	1.1
115.03960	0.3
116.92818	0.4
117.03376	1.2
117.10324	0.3
119.04963	1.8
121.02912	0.3
121.06506	0.3
123.00782	0.3
123.04443	0.3
127.03967	1.0
129.01883	0.5
130.04190	0.4
131.04971	0.7
133.02905	0.9
134.03662	0.7
135.00836	1.0
135.04427	0.6
137.02400	1.1
141.07019	0.4
143.04968	3.1
145.02887	1.6
145.06549	0.7
147.04417	0.3
151.00296	3.5
153.01889	0.8
155.03487	1.2
155.05014	0.4
156.05795	0.3
157.01445	0.3
157.06544	1.1
159.04462	1.7
161.02376	0.5
161.04526	0.5
161.05920	0.3
163.00320	2.7
163.03951	1.3
164.01082	0.3
165.01898	0.4
167.04958	0.6
169.01398	1.0
169.06595	1.1
171.04503	0.9
173.04530	4.8
173.05928	0.4
174.03178	0.3
174.05060	0.3
175.04056	0.6
179.03621	0.4
183.04503	0.6
185.06070	3.7
187.03947	4.2
189.05518	1.8
191.05589	25.9
192.05949	1.2
193.05046	0.5
195.04510	1.0
196.05237	0.3
197.06067	0.9
199.04021	1.4
200.04926	0.3
201.05554	0.9
210.05096	0.3
210.06886	1.0
211.04175	2.0
211.07645	9.4
212.04781	0.5
212.08020	0.6
213.05554	3.1
214.02698	0.3
215.03439	0.5
223.04068	0.3
223.07677	0.6
227.03511	7.2
228.03960	0.6
229.05081	13.9
230.05348	1.0
235.07608	0.6
237.09264	1.1
239.03568	1.7
239.10948	0.3
240.04317	0.7
241.05035	2.2
243.03027	0.5
250.06653	0.3
253.08749	0.4
255.03023	10.6
256.03796	1.8
257.04617	8.4
265.08792	2.7
267.03055	1.1
283.02670	0.7
284.00043	0.3
284.03333	13.8
285.04114	100.0
286.04465	7.0
291.06708	0.4
294.05511	0.3
309.07803	0.7
327.08731	2.4
328.09158	0.4
331.06711	0.4
331.19138	0.9
447.09204	2.4
543.14966	0.4
593.13013	0.9
645.18561	4.0
646.18884	0.6
713.18854	0.8
737.20764	0.4
739.17047	1.0
757.17902	4.9
758.18207	0.9
931.23035	18.3
932.23602	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	931.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00230	0.4
67.01775	1.4
69.03363	0.6
69.51787	1.0
71.01274	1.4
71.97254	0.1
72.99210	0.3
73.02841	0.3
78.95832	0.1
81.03370	0.5
83.01279	0.7
83.04930	0.3
85.02850	3.5
86.47720	0.1
87.00778	2.5
89.02346	0.1
91.01820	0.4
93.03366	11.5
94.03696	0.3
95.01301	0.5
96.95934	0.5
97.02856	0.2
99.00806	0.5
99.04419	0.3
101.02379	0.4
107.01303	2.7
108.02099	0.2
109.02882	1.5
111.00800	0.2
111.04424	1.3
113.02358	0.7
114.50403	0.1
115.00291	0.7
116.92764	0.1
117.03360	0.7
119.01318	0.3
119.04951	1.4
121.02876	0.2
123.00751	0.2
123.04436	0.3
124.01660	0.1
125.02433	0.2
127.03931	0.8
129.01883	0.3
130.04195	0.4
131.04944	0.5
132.02167	0.2
133.02908	0.4
134.03668	0.4
135.00797	1.0
135.04463	1.2
136.03552	0.1
137.02403	0.7
139.00327	0.4
140.50575	0.1
141.07013	0.3
143.04965	2.4
145.02890	1.1
145.06479	0.3
147.04515	0.2
148.47690	0.1
149.06006	0.1
151.00317	2.3
152.00992	0.1
153.01918	0.6
154.04201	0.4
155.03427	0.6
155.04941	0.2
156.05757	0.2
157.01373	0.4
157.02827	0.2
157.06546	0.8
158.03690	0.3
159.04466	1.7
161.02348	0.3
161.05959	0.2
163.00330	2.5
163.03929	0.8
163.11194	0.2
164.01059	0.3
165.01889	0.4
167.04987	0.8
168.05789	0.2
169.01453	0.8
169.06551	1.0
171.03105	0.2
171.04433	0.9
173.02325	0.3
173.02982	0.2
173.04541	2.8
173.06000	0.4
174.03075	0.2
175.03954	0.2
179.03456	0.7
182.03687	0.2
183.04517	0.5
184.05223	0.3
185.06058	3.1
187.03995	3.9
188.04294	0.2
189.05540	1.3
191.05592	19.6
192.00693	0.2
192.05908	0.8
195.04527	0.9
196.05190	0.4
197.06044	1.2
198.03209	0.3
198.06459	0.1
198.26538	0.1
199.03964	0.8
200.04494	0.2
201.05548	0.9
203.03638	0.2
209.06079	0.2
210.06853	1.3
211.04048	2.1
211.07643	23.4
212.04689	0.3
212.07954	1.4
213.05562	2.4
214.02725	0.5
215.03473	0.4
219.05086	0.1
223.03981	0.3
223.07726	0.3
227.03526	5.5
228.03947	0.4
229.05084	12.8
230.05415	0.6
235.07690	0.2
237.09270	0.9
239.03488	1.6
240.02119	0.1
240.04272	0.8
241.05087	1.7
243.03032	0.5
250.06117	0.1
253.08844	0.1
255.00247	0.3
255.03030	7.2
256.03717	2.0
257.04602	7.9
258.04922	0.5
265.08780	1.6
266.89404	0.1
267.03076	1.0
267.05701	0.1
267.07050	0.1
268.03812	0.2
283.02600	0.3
283.09839	0.2
284.03336	9.3
285.04120	100.0
286.04465	6.7
291.06686	0.2
293.04678	0.1
294.05106	0.2
309.07675	0.4
327.08789	1.4
337.09360	0.3
351.08722	0.2
353.06772	0.2
373.07761	0.3
447.09424	2.4
448.09943	0.3
471.13196	0.2
527.08441	0.2
543.15430	0.2
573.16333	0.2
585.15930	0.3
593.13141	0.8
645.18439	6.1
646.19031	0.8
665.15356	0.2
713.18439	0.4
719.13904	0.2
738.21265	0.1
739.16754	0.8
740.18201	0.1
757.17950	2.2
758.17896	0.4
931.23016	15.3
932.23492	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	931.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99930	0.2
65.00222	0.9
67.01778	1.8
67.02091	0.3
69.03341	0.5
69.37436	1.9
73.02394	0.2
73.02836	0.5
78.95795	3.9
81.03338	0.6
83.01287	1.2
83.04920	0.6
85.02845	7.6
85.83730	0.2
87.00774	2.6
91.01803	0.4
93.03360	13.7
94.03656	0.3
95.01302	0.4
96.95950	0.3
96.96868	3.1
97.02884	0.3
99.00826	0.3
99.04408	0.4
101.02365	0.4
104.76131	0.2
107.01297	3.2
108.02090	0.2
109.02861	1.8
111.00782	0.3
111.04432	2.5
112.79768	0.2
113.02364	0.4
117.03375	3.4
118.93955	0.2
119.04948	16.5
120.05286	0.7
123.04433	0.3
127.03950	1.9
131.04941	0.3
132.02100	0.3
133.02896	0.3
133.06511	0.4
134.03645	0.3
135.00824	1.0
137.02393	0.8
143.04984	1.1
145.02892	13.3
145.06549	0.3
146.03217	0.6
147.04491	0.2
151.00316	5.2
153.01897	0.8
154.04216	0.5
155.03441	1.0
156.05759	0.2
157.06526	0.8
159.04465	1.7
161.02432	0.5
161.06058	0.6
163.00354	2.2
163.03955	10.9
164.01071	0.6
164.04306	0.5
165.01913	0.3
167.05025	0.5
169.01392	1.2
169.06523	0.9
171.03015	0.5
171.04472	1.0
173.02298	0.3
173.04518	4.7
173.05988	0.4
174.03192	0.3
174.04637	0.3
178.99782	0.3
179.03500	0.3
183.04515	0.7
185.02512	0.2
185.06081	2.9
187.03973	3.5
189.05464	1.3
191.05588	68.1
192.05905	2.1
195.04530	0.9
196.05273	0.2
197.06061	0.9
199.03896	1.1
200.04800	0.3
201.05605	0.8
205.04953	0.5
211.04008	2.4
211.07570	0.6
212.04745	0.7
213.05589	2.4
214.02750	0.4
215.03519	0.3
223.04031	0.4
223.07646	1.6
225.05283	0.2
226.02713	0.3
227.03510	17.2
228.03915	1.2
229.05067	10.7
230.05429	0.6
233.09500	4.4
237.09256	0.6
239.03487	1.8
240.04285	0.7
241.05084	2.0
243.02995	0.5
243.05200	0.7
247.07843	0.4
249.21681	0.2
255.03029	33.7
256.03711	5.7
257.04581	7.5
258.05008	0.4
265.07040	0.4
267.03055	0.8
268.03778	0.3
283.02512	0.8
284.03333	48.1
285.04105	100.0
286.04456	6.2
307.08295	1.7
309.07886	0.6
327.05002	0.5
337.09366	2.3
337.84692	0.2
379.10550	0.5
447.09369	1.8
483.12817	0.3
542.28241	0.2
593.13153	18.6
594.13373	2.2
645.18365	1.8
697.36835	0.4
713.18817	1.2
739.17395	0.5
757.17914	12.6
758.18079	2.0
931.23212	33.0
932.23523	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	929.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	0.9
69.52064	5.1
71.01270	47.3
71.04532	1.0
71.04911	18.9
72.01621	0.7
72.99185	1.9
73.02837	15.3
75.00761	2.2
78.10446	0.7
81.03328	1.0
83.01276	7.8
85.02843	22.6
87.00772	3.7
87.18026	0.6
89.02332	11.9
93.03378	0.7
93.99828	0.6
95.01286	3.8
95.97365	0.6
96.95910	2.4
97.02837	9.1
99.00777	5.2
101.02345	36.0
108.02039	0.7
109.02830	1.8
111.04429	1.2
111.07267	0.6
113.02357	20.5
119.03422	4.2
119.04963	0.8
121.06552	1.2
123.07170	1.3
123.08071	24.2
124.08358	0.8
125.02401	0.9
125.09670	1.1
127.07576	6.5
129.01845	0.6
133.10139	1.6
135.04404	2.6
137.02348	0.7
143.03419	2.1
149.02333	0.9
150.03220	1.1
152.89029	0.6
159.02925	3.7
159.08014	0.8
161.02454	3.2
161.04494	17.6
161.09663	1.0
162.04909	0.8
163.03978	2.2
165.05527	2.1
171.13844	2.0
173.04555	1.5
175.07561	0.7
177.09178	1.2
179.03371	1.1
179.05579	1.1
189.09180	17.5
190.09450	1.0
191.05565	4.5
191.07118	10.7
195.06606	0.8
201.12901	0.8
203.05534	0.8
203.10712	0.9
205.08699	11.5
217.15974	2.6
219.13889	4.3
221.08229	2.2
231.13980	1.9
243.13927	0.8
245.11816	4.4
255.06613	0.9
259.20834	0.8
259.39041	0.6
261.14874	0.9
263.12909	7.1
271.02521	1.6
275.12985	2.6
285.18716	1.5
287.12961	2.4
287.16119	0.7
299.02191	3.4
300.02856	0.8
303.19687	3.8
315.18185	6.5
327.19818	1.1
329.17639	81.3
330.17972	6.4
333.19247	45.5
334.19623	3.1
337.09671	0.8
343.19202	1.3
347.18695	100.0
348.19086	7.5
361.20374	1.5
371.18723	13.4
372.19113	0.9
375.20303	65.6
376.20499	4.6
389.19870	8.2
419.22339	0.6
640.63916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.4
69.39988	3.7
71.01272	53.8
71.04897	0.6
72.99211	2.9
73.02837	22.3
74.76817	0.5
75.00766	1.5
76.65154	0.4
81.03355	1.2
83.01279	7.4
83.01765	0.6
83.04932	0.7
85.02847	24.8
86.03188	0.7
87.00777	3.1
87.04471	0.5
89.02338	15.9
93.03381	0.7
95.01284	4.6
97.02850	4.7
97.06482	6.9
99.00783	7.2
99.04437	0.7
101.02350	39.6
102.02718	1.0
108.02079	1.0
109.02859	0.8
111.00773	0.9
111.04472	0.6
113.02358	24.9
119.03411	4.4
123.08088	1.4
125.02345	2.2
127.03885	0.5
127.07574	8.7
129.01859	1.0
131.03436	1.1
132.18695	0.4
135.04463	0.5
137.65771	0.4
143.03432	3.8
147.08112	0.6
149.04509	0.8
149.83760	0.5
151.11221	0.8
152.01099	1.3
159.02927	3.7
161.04512	19.6
162.04834	0.7
163.03975	0.5
165.05528	0.9
165.37740	0.4
169.12347	1.0
178.04709	0.5
179.05576	3.3
181.12166	0.4
182.91737	0.4
191.05568	2.4
191.07104	14.8
203.05626	4.4
203.14435	1.0
205.08687	10.4
206.09268	1.2
207.10281	1.4
211.13402	0.8
221.08191	2.3
233.10312	2.3
243.63420	0.4
253.14462	0.6
269.19125	1.0
285.18582	0.5
287.20184	0.5
299.02087	0.7
313.16504	29.7
314.16879	2.6
329.21463	0.6
331.19196	94.6
332.19675	9.3
335.38300	0.5
345.20667	0.7
349.20288	76.0
350.20630	6.8
363.21924	0.7
373.18762	100.0
374.19040	8.8
391.21457	3.1
403.21078	0.6
417.21338	0.9
435.29361	0.4
511.25653	5.0
512.26135	0.9
741.80090	0.5
929.28949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84727	0.3
68.99718	0.3
69.03342	1.2
69.27177	2.6
71.01271	53.9
71.04911	0.5
72.01641	0.6
72.99200	2.7
73.02837	18.9
74.03178	0.3
75.00771	1.9
81.03371	0.6
83.01279	7.7
83.76619	0.3
84.02068	0.3
85.02846	24.3
86.03168	0.5
87.00777	2.9
87.04408	0.8
89.02341	13.8
93.03345	0.9
95.01284	5.8
95.04943	0.3
97.02850	4.4
97.06496	4.3
99.00784	6.1
99.01432	0.4
99.04419	0.4
101.02348	36.5
102.02692	0.8
109.02852	0.7
111.00792	1.1
111.04411	0.3
113.02361	23.4
114.02727	0.3
115.03889	0.5
119.03426	4.5
119.04848	0.3
123.08087	1.8
125.02375	2.1
127.07576	10.0
128.07918	0.3
129.01878	0.8
131.03458	1.1
135.04482	0.5
137.02411	0.3
139.00336	0.3
143.03441	3.5
147.08112	0.3
147.38802	0.3
149.04539	0.5
149.86980	0.3
151.11194	0.5
152.01117	0.5
159.02953	3.6
161.04501	17.5
161.09673	0.5
162.04909	0.3
163.03975	0.4
163.07599	0.3
163.11203	0.3
165.05537	0.9
165.09222	0.6
169.12270	1.1
173.04507	0.4
175.14928	0.3
179.05611	2.4
181.12274	0.6
185.35886	0.3
191.05577	3.1
191.07101	16.1
192.07472	0.6
203.05573	3.2
203.14433	1.0
205.08682	11.0
206.09338	1.7
207.10262	0.9
211.13416	0.6
221.08276	2.7
233.10374	1.4
250.90482	0.3
265.14490	0.3
269.19110	0.6
271.02573	0.6
285.18979	0.4
299.02094	0.8
313.16504	25.0
314.16803	1.3
329.17697	0.5
329.21255	0.5
331.19122	86.0
332.19635	7.1
337.09326	0.4
345.20847	0.4
349.20279	67.8
350.20590	5.3
363.22043	0.8
373.18747	100.0
374.19107	7.5
391.21280	3.2
403.21359	0.5
417.21603	0.8
427.41846	0.3
511.25525	3.6
512.26428	0.4
527.12653	0.4
693.22028	0.4
863.62091	0.3
929.29901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01778	0.6
69.03327	0.3
71.01273	3.8
71.04908	3.3
72.01629	0.4
72.99198	0.7
73.02848	0.5
75.00764	0.6
81.03374	0.3
83.01269	0.8
83.04910	0.6
85.02848	6.7
86.03172	0.8
87.00781	0.6
89.02357	1.7
93.03368	2.1
93.97444	0.3
95.01276	1.1
95.04960	0.4
96.95922	0.8
97.02834	0.6
97.06496	0.3
98.76659	0.3
99.00774	1.9
101.02343	1.0
109.02898	0.6
109.06506	0.6
111.00769	0.9
111.04420	0.5
113.02365	5.1
114.02694	0.7
119.04919	0.6
121.02879	2.5
121.06470	0.4
122.03646	1.9
123.04476	0.3
123.08083	19.6
124.08440	0.5
127.07506	0.3
131.03439	1.0
133.02879	0.7
134.03674	0.7
135.04445	0.7
137.02379	0.9
143.03452	0.5
145.02939	0.7
146.03700	0.3
147.04507	0.6
147.07974	0.3
149.02388	38.9
150.03189	12.6
151.03761	0.4
161.02448	0.6
161.04494	0.5
161.09717	1.4
162.03133	0.3
163.03943	1.0
163.11314	0.7
164.03429	0.6
164.04747	7.3
165.01915	1.5
165.05527	14.3
166.06270	1.8
167.07130	2.2
173.04575	0.8
175.03920	0.6
179.03447	1.1
180.04286	1.6
181.08691	0.8
189.09227	1.6
191.05565	4.1
191.07121	14.6
192.07428	0.7
193.05089	0.4
195.04822	0.4
195.06622	7.9
196.07021	0.7
201.12811	0.4
203.03142	0.3
203.07242	0.4
205.08685	15.3
206.09094	1.3
207.10258	1.2
209.08075	0.6
219.13934	0.9
221.08224	1.8
225.07686	1.7
225.11336	1.1
231.14043	0.5
245.11942	1.8
263.12930	0.7
271.09750	0.4
283.02728	0.5
283.09930	1.6
285.11359	0.3
285.18625	2.4
303.19702	1.1
311.16611	0.5
314.11676	17.5
315.12076	1.3
327.12558	0.3
329.13992	53.9
329.17676	100.0
330.14307	4.8
330.18036	9.9
331.19217	9.2
332.19577	1.4
347.18723	20.1
348.19107	2.4
371.18814	0.7
377.16135	21.5
378.16571	2.4
387.14233	0.4
389.19803	0.5
488.34821	0.7
491.22964	0.9
499.88000	0.3
528.58679	0.4
659.32788	0.5
707.35071	1.0
776.61902	0.4
928.46503	3.9
929.46936	15.9
930.47131	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01752	0.1
71.01263	0.5
71.62962	0.1
71.63377	0.2
72.99210	0.1
73.02817	0.2
73.89867	0.1
78.95786	0.1
85.02830	0.4
89.02303	0.1
93.03368	0.9
95.01270	0.2
95.04895	0.1
96.95916	0.3
97.02871	0.3
100.49146	0.1
101.02341	0.2
108.02071	0.2
109.02862	0.1
111.04409	0.2
113.02339	0.3
115.04256	0.1
119.04929	0.5
121.02868	1.5
122.03687	1.2
123.04434	0.1
123.08077	0.2
127.07557	0.2
132.02081	0.2
133.02893	0.2
134.03651	0.2
135.04407	0.4
136.01555	0.2
137.02373	0.4
145.02898	0.3
146.02533	0.2
146.03674	3.5
147.04373	0.3
147.08058	0.4
149.02388	14.3
150.03177	10.1
151.03650	0.4
152.01086	0.3
153.05525	0.1
153.12752	0.4
161.02388	0.2
161.05995	1.1
162.03247	0.1
163.04019	0.6
164.04739	5.2
165.05525	11.1
166.05843	0.4
167.03432	0.1
173.04495	0.5
175.03984	0.2
177.01852	0.2
177.05499	0.1
179.03511	0.3
179.07112	3.5
180.04289	0.8
181.04932	0.1
191.05582	1.9
191.07106	18.0
192.07405	1.0
193.05141	0.2
195.06619	5.3
196.06956	0.2
197.11833	0.3
205.08691	14.1
206.09294	1.1
207.10179	0.5
221.08212	2.4
222.08617	0.1
225.11369	0.3
253.08447	0.2
255.06665	0.2
267.07217	0.1
268.07498	0.3
269.08176	0.2
269.19403	0.1
280.07474	0.3
281.08292	0.3
283.02618	0.2
283.09726	0.6
297.07700	0.2
312.10110	6.2
313.10391	0.5
313.18079	0.3
327.12448	16.9
328.12814	1.6
329.17569	0.2
331.19220	100.0
332.19556	9.5
347.18726	0.2
349.20273	2.8
350.20706	0.3
375.14578	6.7
376.14905	0.4
440.33160	0.1
443.98386	0.1
929.42889	0.5
933.13458	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	929.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01774	0.1
69.03320	0.1
71.01266	0.5
71.07408	0.2
73.02845	0.3
78.95802	0.4
81.03345	0.1
81.08130	0.1
83.04926	0.3
85.02839	3.9
87.00768	0.9
89.03860	0.2
91.05433	0.2
93.03358	2.0
99.04430	0.6
101.02329	0.2
107.04948	0.9
109.02879	0.3
111.04426	1.5
113.02370	0.2
117.03393	0.2
125.02348	0.2
127.03941	1.2
129.01894	0.2
133.02881	1.3
134.03679	2.4
135.04445	40.2
136.04765	1.6
137.02362	0.3
151.03951	0.2
152.99559	0.2
155.03416	1.3
161.02374	4.3
162.02745	0.2
171.02930	0.3
173.04503	2.6
174.04895	0.1
177.01955	0.2
179.03453	39.3
180.03795	1.4
191.05577	75.3
192.05911	2.8
237.86789	0.1
335.07755	0.6
351.07303	0.2
352.07758	0.2
353.08829	100.0
354.09192	8.5
354.12732	0.1
411.14389	0.1
413.14862	0.3
448.40576	0.1
487.65149	0.1
515.12048	9.0
516.12402	1.4
946.52570	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	929.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01783	0.4
68.99699	1.6
69.03355	1.6
70.57847	0.3
71.01273	2.1
71.04906	0.5
73.02856	0.4
81.03337	0.6
83.01283	1.1
85.02831	2.4
87.00771	14.5
88.01137	0.3
89.02345	0.5
93.03343	2.5
95.01280	0.5
95.04910	0.6
96.95898	0.5
97.02856	1.5
98.19784	0.8
99.00783	0.9
101.02335	0.3
109.02840	0.7
109.61047	0.3
111.00797	2.5
111.04481	0.4
113.02360	0.9
114.52093	0.3
115.00312	0.6
115.05451	5.6
117.03375	28.0
118.03695	1.1
119.04945	33.0
120.05273	1.1
121.02867	1.9
123.00813	0.3
123.04462	0.4
123.08044	0.4
125.02238	0.3
127.03937	0.4
129.01834	0.6
133.02901	0.5
134.03726	0.4
137.02373	0.7
139.03958	0.5
141.01851	0.8
143.04962	100.0
144.05289	4.4
145.02887	83.1
146.03212	3.2
147.04454	12.5
148.04764	0.7
149.02361	1.0
150.03169	0.5
157.04906	0.3
159.04472	0.4
161.06032	6.2
162.03163	1.5
162.06381	0.4
163.03955	29.5
164.04385	1.6
165.05452	0.5
167.16402	0.3
173.04536	0.3
177.05481	0.8
178.05902	0.3
183.02953	1.3
185.06044	0.6
187.03978	55.7
188.04370	2.9
189.09215	0.7
191.05579	2.8
191.07115	0.7
191.24850	0.3
195.06548	0.3
199.07631	0.4
201.04031	15.7
201.05904	0.8
205.08641	0.5
215.07103	1.1
217.05031	0.8
303.19708	0.3
313.07251	1.2
314.11728	0.5
329.13904	1.6
329.17706	0.9
331.19254	2.3
332.19568	1.7
333.20261	1.1
346.30713	0.3
347.07803	0.8
347.18668	2.9
348.19083	0.5
349.09341	32.9
350.09723	2.5
365.10309	0.9
375.07214	0.5
377.16061	0.6
389.08853	10.2
390.09210	0.8
417.08133	0.4
431.12598	0.4
433.13092	0.7
477.12051	3.9
477.25076	0.6
493.15634	0.3
495.13074	2.6
496.13455	0.3
519.26178	0.4
537.14136	57.8
538.14557	7.6
928.45496	0.6
929.46570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01774	1.5
68.99695	1.1
69.03354	0.4
71.01272	17.4
71.04898	0.6
71.58354	0.3
72.99200	3.6
73.02843	2.2
75.00767	3.7
81.03330	0.3
83.01273	4.0
84.02048	0.7
85.02844	41.2
86.00050	0.3
86.03174	0.7
87.00794	1.9
89.02340	8.8
93.03347	1.0
95.01283	4.5
96.01642	0.4
96.95904	1.1
97.02856	1.0
99.00778	8.6
101.02361	2.1
109.02893	0.5
111.00797	4.3
111.04478	0.3
112.01585	0.6
113.02360	27.8
113.38635	0.3
114.02686	0.5
115.00280	0.4
117.03360	0.4
119.04929	1.0
121.02885	0.4
122.03715	0.3
123.08055	1.5
125.02364	0.6
125.93796	0.2
129.01877	0.6
131.03427	6.4
133.02919	0.4
135.04463	0.6
136.01555	0.5
137.02330	0.4
139.00323	3.5
143.03436	0.3
145.02924	0.5
146.03671	0.3
149.02379	1.2
149.04518	0.4
150.03154	1.8
151.00356	0.3
151.03931	0.8
151.07578	1.1
157.01357	1.4
161.02409	0.5
161.04497	0.3
162.03094	0.3
163.03960	0.8
164.04781	0.6
165.05527	2.5
173.04518	1.1
175.03856	0.3
177.01810	0.3
179.03519	0.6
179.07123	0.7
180.04199	0.3
181.05009	0.4
191.05576	3.7
191.07152	1.3
194.05885	0.4
195.06604	3.9
196.07047	0.4
205.08682	1.1
209.08244	0.6
209.11830	0.9
219.06409	0.3
221.08315	0.4
227.03429	0.3
255.03040	0.7
263.07764	0.5
283.02603	1.7
284.02960	0.4
303.19974	0.4
312.10284	0.3
318.08151	0.3
326.65237	0.3
327.12503	1.4
329.17651	7.4
330.17990	1.0
331.19193	1.2
347.18713	2.6
357.12454	0.8
370.58063	0.3
373.15076	0.5
375.14563	1.0
423.32388	0.3
439.10538	0.3
455.31866	0.8
467.31851	0.5
469.33340	1.9
483.30905	0.4
485.32898	1.5
487.28131	0.3
487.34418	6.9
488.34799	1.0
495.26056	0.4
509.24039	0.3
515.33856	1.3
531.33575	0.7
569.35089	0.9
583.36481	2.7
584.36743	0.3
601.37738	1.0
619.38196	0.3
663.37817	0.4
705.32739	0.8
927.46191	100.0
928.46564	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	927.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	1.3
68.99691	1.4
69.03361	0.5
69.87407	1.3
69.87816	0.7
71.01270	19.2
72.99203	3.3
73.02834	1.6
75.00762	4.8
78.95771	0.7
83.01289	3.4
85.02843	47.9
86.03166	0.8
87.00778	1.5
87.85713	0.3
88.98716	0.5
89.02341	8.3
90.02697	0.4
93.03351	0.8
95.01292	6.1
96.95914	15.3
96.96845	0.7
97.02866	0.5
98.20501	0.6
99.00787	9.4
101.02312	1.8
111.00786	5.8
112.01588	0.4
113.02358	36.6
114.02699	0.8
116.54539	0.4
119.04945	0.6
125.02405	0.6
129.01852	0.7
131.03424	8.6
134.03725	0.5
135.04480	0.5
139.00298	6.1
149.04501	1.1
151.07555	0.5
157.01360	2.2
161.02438	0.5
173.04552	0.5
179.03477	0.5
191.05565	3.1
191.07132	1.1
193.05040	0.4
195.06592	1.4
205.08813	0.4
223.06226	0.5
259.67203	0.4
329.17587	1.0
331.19159	5.7
332.19553	0.8
349.20099	0.5
423.29053	0.6
425.30670	1.2
437.30728	1.1
439.32202	0.9
455.31720	3.0
456.31757	0.4
467.31735	2.1
468.32516	0.4
469.33398	1.3
487.34357	7.7
488.34628	1.0
515.33862	1.3
569.34619	0.8
583.36707	2.4
601.37323	0.9
619.38416	0.7
731.44202	0.5
927.46191	100.0
928.46552	26.4
936.84088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01761	1.1
68.99702	1.8
69.03342	0.6
71.01269	16.6
71.38599	0.2
71.38934	0.3
72.99191	3.0
73.02840	1.3
75.00762	4.0
81.03352	0.2
83.01273	2.9
84.02061	0.6
85.02842	42.8
86.03170	0.7
87.00774	1.2
89.02338	7.9
93.03352	0.5
93.35838	0.2
95.01285	4.4
96.95907	0.6
97.02870	0.7
99.00780	8.7
100.01152	0.2
101.02347	1.5
109.02896	0.3
111.00788	4.8
112.01605	0.3
113.02357	32.0
114.02709	0.7
114.04890	0.2
115.00294	0.2
118.49287	0.2
129.01880	0.6
131.03424	6.7
131.04408	0.4
133.02885	0.3
135.04442	0.6
137.02371	0.2
139.00307	3.6
143.03473	0.4
149.04480	0.6
157.01350	1.2
161.02374	0.5
161.04535	0.2
173.04454	0.4
179.03435	0.5
191.05548	1.9
203.52367	0.1
203.95407	0.1
266.29205	0.2
299.01965	0.3
316.05487	0.2
359.41959	0.2
391.30130	0.2
393.32162	0.2
423.29333	0.2
425.30914	0.9
437.30716	2.2
439.10883	0.2
439.32190	2.6
440.32458	0.3
449.30579	0.3
455.31732	2.4
456.31934	0.3
467.31604	2.3
468.32285	0.3
469.33359	2.0
470.33844	0.4
485.32709	0.4
487.34467	5.6
488.35007	0.7
515.33899	1.6
516.34235	0.2
543.33148	0.3
569.34717	0.6
583.36548	3.0
584.36859	0.2
601.37677	0.9
602.38403	0.2
619.38641	0.4
663.38190	0.3
909.44470	0.2
927.46136	100.0
928.46478	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01778	0.7
68.99711	0.4
69.03327	0.4
71.01270	41.1
72.01600	0.3
72.99196	1.3
73.02830	1.0
79.74598	0.2
83.01271	1.7
84.02056	1.5
85.02840	59.6
86.03171	1.0
87.00775	1.5
89.02335	11.6
95.01283	23.9
96.01627	0.4
96.95911	0.3
97.02866	0.7
98.19838	0.5
99.00768	0.7
99.04433	0.2
101.02339	1.6
112.01531	0.2
113.02354	100.0
114.02682	2.1
125.02364	0.7
131.03465	1.2
133.02921	0.3
139.00281	1.0
143.03430	4.2
149.04494	1.9
153.57480	0.2
161.04498	22.1
162.04840	0.6
163.03877	0.2
191.05554	0.5
218.27559	0.2
228.97510	0.2
245.02968	0.2
311.09869	1.6
331.19208	0.5
399.24359	0.2
424.05560	0.2
439.32114	2.0
440.32611	0.4
456.44479	0.2
554.54279	0.2
740.83344	0.2
795.41797	0.9
927.46149	52.6
928.46484	12.6
947.03882	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35751	0.6
67.01777	1.3
68.99673	0.9
70.91615	0.6
71.00903	1.1
71.01273	18.2
71.39566	1.6
72.99203	4.5
73.02829	4.4
75.00768	5.2
77.92979	0.5
83.01276	4.4
85.02841	16.7
85.99998	2.8
87.00773	15.4
89.02342	11.0
93.03392	0.7
95.01288	7.1
96.95889	2.1
99.00790	6.4
101.02341	8.5
111.00795	5.9
111.04359	0.8
112.01574	0.8
113.02357	18.0
115.00250	0.7
125.02318	0.9
129.01863	1.1
131.03427	28.4
132.03741	0.7
135.04443	2.4
137.02411	0.6
139.00310	5.8
149.04510	4.7
151.07530	0.7
157.01361	1.8
161.02417	2.9
173.04572	0.8
179.03484	1.5
191.05576	16.7
192.06036	0.7
194.29012	0.5
195.06610	2.3
233.06636	0.7
271.02518	1.4
299.02002	3.4
299.05011	0.7
313.03583	0.8
331.18994	0.7
339.04965	0.8
437.30731	0.7
455.31888	2.9
467.31580	2.5
469.33228	1.7
479.05984	0.7
487.34454	9.1
488.34641	1.7
515.33789	1.2
543.33856	0.8
568.70026	0.7
583.36804	3.1
596.92731	0.6
601.37494	1.5
786.62128	0.8
897.38605	2.5
927.46204	100.0
928.46436	22.8
942.18372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76495	0.4
67.01760	0.5
69.03335	0.5
71.01271	36.3
71.59742	0.4
71.60143	0.6
72.99187	1.2
73.02837	12.7
75.00768	1.1
80.64025	0.5
83.01270	1.2
84.02071	1.3
85.02844	58.1
86.03194	1.1
87.00780	1.9
88.98719	0.7
89.02341	6.7
93.03316	0.7
95.01290	20.1
95.01911	1.0
96.95934	2.5
97.02824	0.5
99.00782	63.0
100.01113	1.2
101.02320	3.2
113.02358	80.7
114.02712	1.5
131.03419	5.8
135.04483	1.0
139.00287	1.3
143.03419	2.4
149.04500	1.0
161.02422	0.6
161.04494	5.9
162.49728	0.5
179.03424	0.7
191.05582	19.9
192.05878	0.6
215.07242	0.5
267.15112	0.5
353.09055	0.6
405.71637	0.5
439.32385	4.6
766.72858	0.6
927.46185	100.0
928.46417	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	927.462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01770	1.3
68.99699	1.3
69.03330	0.5
71.01272	20.7
71.37733	0.7
72.99197	3.8
73.02832	5.0
75.00764	12.7
83.01279	3.1
85.02845	17.8
86.00006	2.5
87.00776	14.7
89.02342	15.6
89.02905	0.6
95.01290	5.1
97.02855	0.8
99.00779	5.3
101.02351	7.0
111.00790	5.8
112.01592	0.4
113.02361	17.1
129.01845	0.7
130.98634	0.3
131.03432	29.4
132.03729	0.6
134.42699	0.3
135.04451	0.3
139.00308	5.7
143.03403	0.7
149.04485	6.1
157.01321	1.5
161.02377	0.6
161.04539	0.4
165.05531	0.4
168.88860	0.3
184.12419	0.3
191.05583	14.5
192.05963	0.5
226.71066	0.3
233.06644	1.1
240.93718	0.3
264.06543	0.6
313.18091	0.7
329.17603	0.4
331.19202	0.7
378.71878	0.4
425.30704	0.7
437.30804	1.7
439.32269	2.9
455.31699	2.1
467.31689	2.0
469.33484	2.7
470.33212	0.3
485.32806	0.7
487.34409	7.7
488.35031	0.9
515.34033	1.7
569.34900	0.9
583.36658	4.0
584.37463	0.7
601.37769	2.4
729.25348	0.4
733.41412	0.4
927.46179	100.0
928.46564	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	927.462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01804	1.0
68.99695	0.8
69.03355	0.3
71.01272	13.2
72.99199	2.2
73.02822	0.8
75.00360	0.3
75.00764	4.7
78.33123	0.2
81.70502	0.2
83.01275	1.8
84.02069	0.2
85.02843	11.7
86.03160	0.3
87.00775	0.9
89.02341	6.7
95.01287	5.3
96.95917	0.2
97.02860	0.4
99.00783	5.4
99.01433	0.3
101.02358	0.9
111.00790	3.5
112.01597	0.3
113.02360	10.5
114.02699	0.4
115.00323	0.3
121.02896	0.2
127.00343	0.2
129.01886	0.9
131.03429	1.0
139.00304	5.2
149.04506	0.3
157.01373	1.4
191.05574	0.5
250.79140	0.2
391.30090	0.3
393.31305	0.3
400.05853	0.2
425.30624	0.4
437.30634	0.8
439.32318	3.6
440.32471	0.5
455.31680	1.4
467.31818	1.4
469.33289	1.0
470.34076	0.2
485.32739	1.0
487.34433	9.6
488.34967	1.2
515.33801	1.0
543.33405	0.4
569.35040	0.8
583.36523	4.6
584.36932	0.6
601.37701	2.5
602.37891	0.4
603.35547	0.4
619.38727	0.3
733.41626	0.3
795.41980	3.1
796.42688	0.7
837.56482	0.2
927.46179	100.0
928.46521	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	927.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01769	1.0
68.99710	0.7
69.03355	0.4
70.50414	1.3
71.01270	16.6
72.99196	3.4
73.02840	1.8
73.46059	0.3
75.00359	0.5
75.00765	6.5
78.91788	0.6
80.94659	0.3
83.01268	1.5
85.02846	15.8
85.03361	0.8
87.00780	1.7
89.02341	10.4
89.61060	0.4
95.01292	5.2
96.95898	0.5
97.02845	0.6
99.00161	0.6
99.00779	8.9
101.02348	1.4
111.00787	4.8
113.02361	17.3
119.03445	0.3
120.21407	0.3
121.02810	0.4
127.03945	0.4
129.01845	1.5
131.03419	1.3
139.00313	4.4
157.01424	2.0
161.04454	0.5
175.02528	0.4
191.05600	0.9
269.89249	0.3
274.64548	0.3
296.87903	0.4
391.30234	0.4
437.30786	1.5
439.32230	4.3
440.32861	0.5
455.31549	2.0
467.31677	1.6
469.33328	1.5
485.32870	1.1
487.34381	10.7
488.34723	1.8
515.33978	1.1
569.35107	0.6
583.36560	5.7
584.36926	1.3
601.37860	1.8
602.38544	0.5
624.90979	0.4
751.44403	0.4
795.41846	3.1
796.42493	0.6
888.89520	0.9
889.39099	0.7
910.40143	0.9
927.46210	100.0
928.46509	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	927.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37162	0.6
69.03333	2.3
71.01270	61.2
71.04910	15.8
72.01621	0.8
72.99191	2.4
73.02837	53.4
75.00754	3.1
77.61324	0.6
78.58958	0.6
81.03336	1.2
83.01276	15.3
83.04926	1.0
85.02843	18.8
87.00756	3.2
89.02339	16.8
93.03362	5.4
95.01297	3.7
95.04916	0.6
97.02844	8.3
98.20565	1.4
99.00777	4.1
101.02348	63.9
102.02695	1.3
107.04900	0.7
109.02853	1.9
109.06570	0.6
110.41159	0.6
111.00773	0.8
113.02357	31.4
119.03412	9.2
119.04914	1.4
121.06467	1.2
123.08079	21.6
124.08389	1.2
125.02340	2.3
127.07568	5.1
128.07961	0.7
131.03416	4.8
133.10139	1.2
135.04431	0.7
137.02367	3.7
143.03436	6.8
145.10156	0.9
149.04503	9.9
151.11238	0.6
155.03462	1.2
159.02930	2.2
161.02434	1.2
161.04492	29.3
161.09653	1.2
162.04782	1.0
169.12296	1.0
179.05586	2.3
179.07074	0.7
189.09187	19.1
190.09639	1.1
191.05536	2.8
191.07118	9.8
203.05640	2.7
205.08675	9.7
217.15929	1.0
219.13898	2.7
221.06615	6.7
221.08142	0.7
229.44608	0.6
231.13948	1.5
245.11775	3.3
259.13528	1.1
259.20688	0.8
261.15308	0.6
263.12912	5.1
275.12921	1.8
285.18704	1.9
287.13000	2.2
287.16055	0.7
303.19727	3.7
313.16650	18.6
314.16898	1.3
327.19800	1.2
329.17645	72.9
330.17917	7.4
331.17679	38.0
331.40872	0.7
332.18140	3.0
347.18707	100.0
348.19028	11.1
361.20297	2.2
371.18729	12.5
372.19150	1.4
373.18759	66.1
374.19086	6.3
383.18771	1.0
389.19687	8.0
390.20218	0.7
417.21307	1.8
571.87952	0.6
790.59064	0.7
909.41284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37162	0.6
69.03333	2.3
71.01270	61.2
71.04910	15.8
72.01621	0.8
72.99191	2.4
73.02837	53.4
75.00754	3.1
77.61324	0.6
78.58958	0.6
81.03336	1.2
83.01276	15.3
83.04926	1.0
85.02843	18.8
87.00756	3.2
89.02339	16.8
93.03362	5.4
95.01297	3.7
95.04916	0.6
97.02844	8.3
98.20565	1.4
99.00777	4.1
101.02348	63.9
102.02695	1.3
107.04900	0.7
109.02853	1.9
109.06570	0.6
110.41159	0.6
111.00773	0.8
113.02357	31.4
119.03412	9.2
119.04914	1.4
121.06467	1.2
123.08079	21.6
124.08389	1.2
125.02340	2.3
127.07568	5.1
128.07961	0.7
131.03416	4.8
133.10139	1.2
135.04431	0.7
137.02367	3.7
143.03436	6.8
145.10156	0.9
149.04503	9.9
151.11238	0.6
155.03462	1.2
159.02930	2.2
161.02434	1.2
161.04492	29.3
161.09653	1.2
162.04782	1.0
169.12296	1.0
179.05586	2.3
179.07074	0.7
189.09187	19.1
190.09639	1.1
191.05536	2.8
191.07118	9.8
203.05640	2.7
205.08675	9.7
217.15929	1.0
219.13898	2.7
221.06615	6.7
221.08142	0.7
229.44608	0.6
231.13948	1.5
245.11775	3.3
259.13528	1.1
259.20688	0.8
261.15308	0.6
263.12912	5.1
275.12921	1.8
285.18704	1.9
287.13000	2.2
287.16055	0.7
303.19727	3.7
313.16650	18.6
314.16898	1.3
327.19800	1.2
329.17645	72.9
330.17917	7.4
331.17679	38.0
331.40872	0.7
332.18140	3.0
347.18707	100.0
348.19028	11.1
361.20297	2.2
371.18729	12.5
372.19150	1.4
373.18759	66.1
374.19086	6.3
383.18771	1.0
389.19687	8.0
390.20218	0.7
417.21307	1.8
571.87952	0.6
790.59064	0.7
909.41284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.9
71.01271	60.9
71.04526	1.2
71.04906	15.8
72.01633	0.7
72.35025	0.6
72.99206	2.9
73.02837	45.7
75.00765	2.7
78.86591	0.5
81.03362	0.8
83.01279	13.6
85.02839	19.0
87.00768	4.7
89.02341	17.3
89.65331	0.7
90.58286	0.5
93.03362	10.8
95.01290	4.3
97.02849	7.9
99.00772	4.7
101.02348	58.6
102.02673	1.2
109.02878	2.4
111.00773	1.1
113.02357	28.7
119.03422	8.3
119.04973	0.7
121.02860	0.8
121.06467	0.7
123.08084	19.5
124.08402	1.2
125.02357	2.5
127.07548	5.3
129.01907	0.6
131.03448	4.2
133.10164	1.7
135.04459	1.6
137.02390	11.3
138.02661	0.7
141.30676	0.6
143.03453	6.4
145.10161	1.3
149.04501	8.4
155.03464	1.4
159.02928	2.6
161.02437	1.4
161.04506	26.2
161.09593	1.2
162.04837	0.7
163.03893	0.7
169.12289	1.1
175.07706	0.8
179.03423	1.1
179.05556	3.1
179.10690	1.2
181.12331	1.2
189.09181	18.8
190.09541	1.1
190.18095	0.7
191.05554	4.0
191.07129	9.7
201.12895	0.8
203.05594	3.8
205.08679	9.1
206.09116	0.9
217.15906	1.8
219.13887	3.6
221.06551	4.3
221.07806	0.8
221.08476	1.2
231.13959	1.1
237.15034	1.5
243.17537	1.0
245.11777	3.8
255.68196	0.6
259.20657	1.3
261.15073	0.8
263.12943	5.8
271.02478	1.4
275.12927	1.8
285.18674	1.7
287.12988	1.6
299.02011	2.8
300.02646	1.1
303.19678	3.2
311.27673	0.7
313.16656	19.2
314.16907	1.7
327.19617	1.7
329.17651	77.0
330.17914	9.1
331.17691	43.0
332.18152	3.6
343.19119	1.3
347.18710	100.0
348.19034	9.1
353.08926	0.7
361.20227	1.9
371.18744	14.1
372.19055	0.9
373.18765	69.9
374.19077	5.8
389.19791	7.6
390.19955	1.1
417.12186	1.1
417.21286	4.6
456.17581	0.7
609.14838	0.7
780.21222	0.7
855.98041	0.7
871.74908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01278	2.2
71.04914	4.4
71.59212	0.2
72.99175	0.3
73.02832	0.5
75.00766	0.4
78.95786	0.3
80.75149	0.2
83.01315	0.2
83.04935	0.4
85.02858	1.4
87.00767	0.6
89.02338	0.7
93.03364	2.0
95.01300	0.3
95.04913	0.3
96.95919	0.6
97.02831	0.6
99.00770	0.3
101.02362	1.2
105.73272	0.2
107.04938	0.5
108.02108	0.4
109.02877	1.2
109.06499	0.2
111.04469	0.4
113.02344	1.3
119.04936	0.6
121.02872	3.3
121.06501	0.6
122.03670	2.6
123.00746	0.2
123.04497	0.3
123.08081	20.2
124.08405	0.7
125.02287	0.2
131.03477	0.5
132.02119	0.2
133.02859	0.7
133.10158	0.3
134.03633	0.6
135.04460	1.0
135.07990	0.2
136.01581	0.4
137.02386	0.5
137.90947	0.2
143.92598	0.2
145.02904	0.4
145.06560	0.3
146.03677	6.9
147.04460	1.2
147.08073	0.4
149.02385	28.0
150.03181	19.2
151.00328	0.4
151.03473	1.0
152.01108	0.3
159.04587	0.2
161.02394	0.8
161.04541	0.6
161.06039	2.0
161.09656	1.3
162.03151	0.3
162.22260	0.2
163.03931	0.8
163.11226	0.3
164.04741	10.8
165.05530	22.1
166.02650	0.6
166.05832	1.3
173.04475	0.7
175.03983	0.4
177.01854	0.2
177.12825	0.5
179.03467	0.3
179.07104	8.2
180.04277	1.2
180.07443	0.4
181.05054	1.0
181.06427	0.2
189.09183	3.2
191.05577	1.9
191.07106	15.3
192.07471	0.8
193.05078	0.4
195.06618	12.1
196.06976	0.7
201.12842	0.2
205.08688	14.3
205.12309	0.6
206.09209	1.1
207.10286	0.3
209.11819	1.3
217.15878	0.2
219.13852	1.1
221.08244	1.7
231.13942	0.7
245.11908	1.5
251.07172	0.3
255.02942	0.2
263.12903	0.9
268.07413	0.6
269.08228	0.4
271.02524	0.2
275.12891	0.4
280.07477	0.5
281.08289	0.4
283.02505	0.5
283.09848	1.2
284.10373	0.3
285.18710	1.9
287.16739	0.3
297.07675	0.6
303.19757	1.6
311.16568	0.4
312.10120	10.5
313.10413	0.7
327.12463	35.7
328.12827	3.4
329.17657	100.0
330.18005	11.1
331.19269	0.2
347.18719	28.6
348.19101	3.2
371.18762	0.7
375.14581	10.3
376.15018	1.2
381.14728	0.2
389.19772	0.5
417.15460	0.5
449.14618	0.6
463.35770	0.2
491.22952	0.7
657.31311	0.4
705.32611	0.5
706.32123	0.2
866.23804	0.2
910.39575	0.3
926.90594	0.3
927.47028	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00211	0.8
65.26647	0.1
70.32059	0.5
70.53171	0.1
83.01289	0.7
87.45999	0.1
91.01775	0.2
93.03365	0.3
107.01297	2.1
108.02087	0.9
109.02865	0.9
121.02882	1.5
124.01505	0.2
125.02354	0.2
135.00821	0.6
135.04459	0.2
148.01575	0.8
149.02370	0.3
151.00310	8.3
152.00890	0.2
159.04428	0.3
161.02425	0.2
163.00320	1.7
164.01064	0.5
169.01390	0.4
171.04390	0.1
172.05183	0.1
173.06085	0.1
178.99818	3.8
180.00226	0.2
183.04433	0.4
187.03908	0.3
190.99846	0.3
191.05450	0.3
192.00600	0.4
199.03987	0.4
201.05496	0.3
203.03477	0.2
211.04039	0.7
214.02631	0.2
215.03523	0.4
216.04237	0.5
226.02692	1.3
227.03505	1.8
228.03909	0.1
229.05057	0.5
239.03436	0.2
240.83380	0.1
242.02324	0.1
243.03012	7.1
244.03589	0.6
245.04556	0.8
254.02243	1.6
255.03023	18.9
256.03436	1.2
257.04626	0.2
271.02533	42.3
272.02942	3.7
273.04013	0.8
283.02509	0.8
299.02042	1.3
300.02808	74.7
301.03522	30.6
302.03958	1.8
313.03427	0.1
343.04694	0.3
365.08981	0.1
446.73871	0.2
461.07458	0.1
462.07837	0.3
463.08914	100.0
464.09225	9.2
567.30365	0.1
892.13690	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	925.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25977	0.6
69.03349	4.2
70.30993	0.6
71.01272	82.7
72.01602	1.6
72.99196	3.8
73.02838	88.1
74.03168	0.8
75.00771	1.4
78.95789	6.9
81.03321	1.0
81.28324	0.5
83.01278	28.8
84.01586	0.7
85.02844	14.4
87.00762	3.8
89.02338	18.9
90.02682	0.7
93.03352	1.7
95.01281	4.4
96.96857	7.5
97.02856	2.6
98.19705	1.0
99.00792	4.1
99.04438	1.0
101.02349	100.0
102.02677	1.4
103.03883	0.7
113.02358	41.5
119.03424	14.0
125.02376	5.1
127.03848	0.6
127.33909	0.7
129.01826	0.6
131.03429	10.5
133.02838	0.9
143.03442	12.9
147.02910	0.9
149.04503	29.6
155.03477	3.2
159.02928	1.3
161.04504	44.5
162.04845	1.6
167.15005	0.6
171.22728	0.6
173.04463	1.4
179.05563	1.5
191.05620	3.8
203.05603	5.9
221.06676	17.4
229.18901	0.7
233.06946	1.1
233.09473	6.5
247.07443	2.6
270.94073	0.6
273.12347	0.7
278.50510	0.7
289.52890	0.6
333.19305	3.8
335.12445	1.5
373.22171	1.0
415.23471	7.3
424.94046	0.6
427.42700	0.6
436.00989	0.7
465.23505	44.4
466.23843	4.7
467.77618	0.6
491.21371	2.2
619.19135	0.6
691.26483	0.7
691.47278	1.7
899.16193	0.7
925.40167	1.4
925.89294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01764	1.1
68.99706	3.3
69.03336	0.7
69.91609	1.0
69.92019	0.8
71.01272	15.3
72.96351	0.3
72.99191	3.0
73.02847	1.7
75.00768	4.2
83.01274	2.4
84.02068	0.4
85.02845	39.3
86.03194	0.7
87.00762	1.9
89.02341	8.5
93.03379	0.7
95.01286	3.9
96.95911	6.9
97.02853	0.7
99.00787	8.4
101.02360	1.9
111.00786	4.7
113.02361	30.1
114.02694	0.6
115.79709	0.3
125.02377	0.4
129.01888	0.4
130.09694	0.4
131.03424	7.9
133.02919	0.5
135.04448	0.7
139.00301	4.4
146.03667	3.9
146.98703	0.3
149.04507	0.7
157.01372	1.2
161.02423	0.5
161.06007	1.0
163.04021	0.5
164.04753	3.0
169.06561	0.4
173.04495	0.5
179.03592	0.6
179.07100	9.5
180.07375	0.5
189.12820	2.9
191.05579	2.0
191.07117	0.9
195.06548	0.3
205.08707	2.7
213.14786	0.3
259.75998	0.4
270.02194	0.3
296.99847	0.4
304.15112	0.3
313.18173	21.7
314.18555	2.2
329.10397	0.4
331.19098	1.2
341.10165	0.7
344.12796	1.1
345.20724	0.6
359.15082	2.0
371.14963	0.9
389.16315	1.6
409.31250	0.7
437.30719	0.4
439.32257	1.4
449.30798	1.0
453.30273	0.4
467.31778	8.1
468.32065	1.1
485.32867	5.5
486.33105	1.2
487.34119	0.5
513.32507	1.9
541.31598	0.4
560.93085	0.4
567.33069	0.8
581.34784	4.2
582.35132	0.6
599.36127	2.0
600.36188	0.5
925.44647	100.0
926.44965	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	925.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43594	0.3
69.03351	2.2
71.01273	37.4
71.58156	0.4
72.01619	0.4
72.02030	0.3
72.99204	1.8
73.02838	49.8
74.03192	0.6
75.00771	0.7
79.36152	0.4
81.03349	1.2
83.01279	15.0
83.04910	0.4
84.01620	0.4
85.02838	3.6
87.00793	0.9
89.02344	1.4
93.03363	0.7
95.01294	0.8
97.02847	3.5
99.00784	1.6
99.04416	0.9
101.02350	27.1
102.02685	0.7
106.04140	0.3
107.01313	0.3
108.02062	0.4
109.02847	0.5
111.00809	0.6
111.04453	0.4
113.02362	9.3
115.94283	0.3
119.03451	0.6
119.04887	0.4
121.10115	0.5
125.02386	6.3
127.03942	0.4
127.07571	2.8
131.03423	1.3
133.02820	0.5
135.04411	0.8
138.03163	1.9
143.03439	9.7
147.08054	1.0
149.04504	0.4
151.11227	4.3
155.03452	4.1
161.02452	0.5
161.04504	5.1
161.09683	1.1
162.03157	0.5
163.07582	0.3
165.09167	100.0
166.09506	3.7
177.05540	0.3
177.09178	0.4
177.28413	0.3
179.03406	0.5
179.05603	0.6
179.10741	19.9
180.11093	1.0
181.12309	0.4
189.03941	0.6
189.09158	0.8
191.05562	1.6
191.07127	2.4
191.10780	0.9
194.57314	0.3
203.05597	13.9
205.08731	2.3
207.10255	23.2
208.10605	1.0
209.11816	0.8
219.10252	0.9
221.08141	0.5
225.11328	0.4
237.11369	3.7
255.03065	0.7
261.11411	0.3
267.12488	0.8
271.02597	2.7
272.02960	0.4
299.02051	4.8
300.02658	2.2
301.03470	1.1
309.13489	2.7
313.18033	1.1
331.19232	19.8
332.19434	1.7
335.07629	0.4
341.10413	0.5
342.10870	0.6
347.18784	0.3
349.20279	17.4
350.20618	1.4
353.08975	0.5
369.15515	2.8
373.20255	1.7
391.21417	1.1
463.08887	0.6
625.11597	2.2
626.12634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00213	9.6
71.01293	1.2
71.87912	0.7
73.52081	0.7
83.01273	7.6
83.89914	0.7
85.02811	1.1
90.24690	0.6
93.03331	1.6
95.01288	2.8
96.65828	0.6
96.95917	1.2
98.20561	1.8
107.01295	20.8
109.02846	5.9
111.00763	1.4
113.02322	0.8
121.02909	3.8
123.00768	1.8
123.04452	0.8
124.01588	6.1
125.02380	5.0
135.04407	0.8
137.02357	1.6
139.00345	0.9
139.03926	0.8
145.02872	1.7
147.04480	1.7
148.01598	2.6
149.02379	5.8
149.94597	0.8
151.00313	67.0
152.01097	15.5
153.01923	3.9
161.02406	3.9
163.00278	4.0
165.01788	1.0
169.01402	12.7
169.02786	1.5
171.04387	0.9
173.02370	0.8
174.03174	1.0
175.00275	3.4
175.03996	4.8
178.99825	72.1
180.00145	2.3
183.04530	1.3
187.03981	1.4
189.01942	1.7
190.99763	3.3
191.03496	1.3
191.05598	2.4
192.00616	4.6
193.01418	10.8
198.03165	2.9
199.03964	3.5
203.03505	9.8
211.03960	3.2
213.01910	2.4
214.02728	2.9
215.03508	4.3
217.01448	0.9
219.61861	0.7
225.02031	2.3
226.02773	6.1
227.03493	11.4
228.04204	2.2
229.01480	1.8
229.05095	2.5
230.02197	0.8
231.02826	1.7
237.01929	4.3
238.02672	1.1
239.03522	3.4
240.04214	2.0
241.01433	3.0
241.05215	1.6
242.02129	2.3
243.03061	5.0
244.03752	1.7
245.04694	1.2
249.05861	0.8
253.01500	5.4
254.02232	9.2
255.03017	15.6
256.03543	2.9
257.00830	1.3
259.02475	1.1
266.02203	1.6
267.03082	4.0
268.03745	1.0
269.00980	11.8
270.01596	1.7
271.02521	19.9
272.03000	2.2
273.03964	0.8
277.05081	1.3
281.00940	4.4
281.04086	0.9
282.01639	2.2
283.02554	3.9
284.03198	1.3
285.04099	0.9
291.03085	1.4
291.06628	1.2
293.04660	1.7
294.01868	0.9
295.02539	4.0
296.03363	2.0
297.00443	1.8
297.04144	2.0
298.01251	1.7
299.02014	8.5
300.02621	1.6
305.04706	1.3
309.03903	1.1
311.01993	2.7
313.03708	1.4
317.04749	1.5
319.02728	0.9
319.06079	1.0
320.03180	1.1
321.04138	1.6
323.05399	1.2
333.04031	2.3
335.01999	0.8
335.05627	1.6
340.02365	1.3
341.02936	4.8
345.04190	1.5
346.04776	1.1
347.05676	2.5
349.03555	1.1
351.04938	0.9
359.05817	0.8
361.03622	2.5
363.05081	2.2
364.05862	1.0
365.03055	2.2
365.30075	0.7
371.09882	1.2
373.03619	1.2
374.04495	0.9
375.05179	3.6
377.02988	2.0
377.07040	1.2
379.04520	1.2
388.01834	1.0
389.03162	7.3
390.03690	2.0
391.04477	2.6
392.05231	1.2
393.06183	1.4
398.88242	0.8
403.04645	1.3
404.05295	2.3
405.06458	12.6
406.03091	2.3
407.04129	10.5
408.04431	1.7
409.05542	2.3
417.02344	1.5
418.03302	1.7
419.04129	9.1
420.04858	1.7
421.05841	5.7
422.05722	0.8
433.02069	7.9
435.03445	1.1
446.02997	0.8
447.03705	3.0
448.04236	1.2
449.05069	2.8
451.03128	3.2
463.03040	1.3
473.01108	0.8
569.09113	1.3
583.05035	4.6
599.05164	1.3
600.05927	1.2
601.06378	20.9
602.06537	2.5
745.10938	1.1
762.11456	1.6
763.11658	71.3
764.12024	11.1
812.13361	0.9
925.17041	100.0
926.17346	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	925.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00221	8.7
68.62286	1.0
71.01283	1.8
71.57642	2.2
74.89761	1.0
83.01273	7.8
83.26897	1.0
85.02844	1.3
91.57183	1.0
93.03335	3.1
95.01268	2.8
107.01301	24.7
109.02854	7.2
111.00786	1.6
121.02874	5.7
123.00780	2.8
124.01559	6.3
125.02338	4.0
126.77097	1.3
129.51019	1.0
133.02863	1.1
135.04417	1.1
137.02388	1.5
139.00360	1.3
139.03874	1.6
143.59470	1.1
145.02861	2.4
147.00778	1.2
148.01547	2.8
149.02325	5.8
151.00310	73.6
152.01117	18.2
153.01823	3.0
159.04349	1.4
161.02357	4.2
163.00269	4.7
163.03922	1.1
169.01422	12.5
169.02800	2.2
175.00294	4.6
175.03943	5.4
178.99814	90.5
180.00108	4.4
183.04535	1.4
185.02390	1.4
189.01840	1.4
190.99738	2.0
191.05586	3.9
192.00618	5.4
193.01407	18.2
197.02248	1.2
198.03151	2.7
199.03932	2.5
201.01961	1.5
203.03481	9.3
211.03928	3.0
213.01852	2.1
214.02666	2.9
215.03487	3.8
217.01364	1.5
225.01938	2.2
226.02751	6.4
227.03519	11.3
228.04141	3.3
229.01463	1.1
229.04871	1.6
237.01892	4.2
239.03503	4.3
240.04260	1.2
241.01392	2.1
241.05193	1.4
242.02277	3.5
243.02995	4.6
244.03705	2.3
245.04507	1.8
251.03523	1.5
253.01405	9.1
253.04106	1.2
253.04924	1.1
254.02226	11.1
255.03017	16.3
256.03622	3.2
263.03644	1.0
266.02338	1.8
267.03073	4.8
268.03665	1.8
269.01059	13.5
269.04178	2.1
270.01688	2.6
271.02545	21.2
272.03214	2.5
281.00995	3.5
282.01675	3.0
283.02606	6.4
283.05237	1.0
293.04520	1.9
295.02646	5.0
296.03409	2.4
297.00748	1.4
297.04062	4.1
298.01062	1.4
299.02048	11.5
300.02554	2.0
307.02820	1.1
307.06088	1.6
309.04083	1.3
311.02005	2.8
312.02771	1.4
313.03561	2.4
317.04636	1.2
319.02499	1.6
319.06232	1.7
321.04086	2.8
331.06119	1.2
333.04044	2.0
335.05960	1.8
339.01453	1.2
339.05103	1.4
340.02179	1.4
341.03088	6.8
345.04123	2.0
347.05743	3.2
349.03656	2.2
353.09152	1.2
360.02774	1.2
361.03452	1.9
362.04504	1.1
363.00894	1.1
363.05127	2.7
365.03073	2.9
373.03326	1.5
375.05240	4.7
377.02991	2.5
377.07089	1.6
378.03372	1.7
379.04547	2.1
388.02194	1.4
389.03149	9.8
390.03699	2.4
391.04532	2.5
392.05072	2.0
393.06189	1.7
403.04736	3.3
404.05585	2.9
405.06351	15.7
406.03253	3.5
407.04111	13.6
408.04443	3.0
409.05756	2.3
415.00723	1.1
416.01819	1.1
417.02551	1.5
418.03317	2.3
419.04196	10.1
420.04926	4.0
421.05743	6.8
422.06149	1.2
429.02463	1.7
431.03922	2.1
433.02173	9.1
434.02570	2.1
435.03760	1.7
447.03473	3.6
447.09128	1.6
448.04422	1.9
449.05148	3.8
451.03140	3.8
452.03973	1.5
463.03070	1.5
479.02356	1.8
569.09271	2.3
583.05096	4.4
599.05029	2.5
600.05756	2.6
601.06219	15.8
602.06000	2.0
627.10693	1.2
674.04810	1.2
763.11597	65.8
764.12195	12.0
925.16980	100.0
926.17206	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	922.5231
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25962	0.6
70.26379	1.2
71.01294	0.4
76.43234	0.3
78.95797	24.0
89.02243	0.3
98.19869	0.5
104.97375	0.3
110.98450	1.9
122.00049	1.0
127.07619	0.4
129.16248	0.4
134.98546	0.4
140.01123	5.8
152.99518	2.6
153.83333	0.3
166.02708	0.3
167.01067	0.7
185.02142	1.8
191.05563	0.4
196.03780	10.0
211.84846	0.3
214.04858	2.4
261.22299	0.7
277.21786	56.7
278.22168	4.2
279.23349	100.0
280.23685	9.5
280.26773	0.5
422.47729	0.3
445.23706	27.5
446.24023	2.8
476.27936	91.1
477.28268	10.7
902.73730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.357
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01292	0.3
71.57349	0.2
71.57723	0.3
81.03400	0.3
85.02850	0.3
88.98701	100.0
89.99034	1.2
94.42225	0.2
96.95911	0.9
109.06443	0.2
111.04435	0.5
122.03641	0.3
123.86889	0.2
125.02404	1.0
151.07588	5.4
152.07918	0.3
167.97722	0.2
173.04558	0.2
191.05598	0.8
195.06613	17.2
196.06917	1.7
201.12721	0.2
205.08609	0.3
209.08156	0.4
219.06625	3.0
220.07092	0.4
237.07683	1.2
266.42599	0.2
313.18161	1.7
314.18680	0.3
357.11987	9.9
358.12329	1.7
359.12625	0.5
422.64548	0.2
450.78101	0.2
671.30914	0.7
923.36316	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	921.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.4
69.34534	5.9
69.34954	4.3
71.01266	13.0
71.04907	1.2
72.99196	1.8
73.02830	2.8
77.73951	1.1
81.03343	1.7
83.01284	1.9
85.02868	5.4
87.00770	3.9
89.02349	5.9
94.93237	1.0
97.02853	9.5
98.20586	2.3
99.00779	15.0
101.02360	8.7
109.06491	2.9
113.02361	4.7
117.59238	1.3
119.03427	2.3
123.08057	1.3
125.02360	5.1
125.09647	4.4
161.04491	1.7
163.11237	8.1
181.12289	13.3
207.10254	40.2
208.10605	2.1
209.11877	2.4
221.06664	1.5
225.11328	57.3
226.11647	3.3
235.08321	2.2
243.12428	18.4
255.23340	51.1
256.23712	3.7
379.12625	2.4
397.13559	11.2
415.14508	2.1
439.09689	1.1
450.74576	1.3
605.24603	15.7
606.24994	3.6
623.26147	6.6
653.37347	1.2
861.48706	100.0
862.49097	21.2
958.38428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01277	13.4
71.59402	1.0
72.99191	1.7
73.02853	1.6
78.95802	1.1
81.03368	2.1
83.04914	3.3
85.02835	2.5
87.00764	4.3
89.02346	12.1
97.02806	1.6
101.02343	10.6
113.02362	5.3
119.03429	4.9
125.02377	5.3
130.37234	0.8
143.03406	2.1
161.04514	4.1
163.11191	1.9
167.93793	0.7
171.10281	1.7
179.05626	4.4
209.11823	100.0
210.12184	6.5
217.07195	1.6
221.06584	2.3
227.12898	30.9
227.15166	1.6
235.08228	5.1
277.21796	58.9
278.22162	5.2
287.07709	3.0
305.08905	2.5
319.83340	0.8
323.09808	3.1
335.30258	0.9
379.12491	15.2
380.13043	1.1
397.13605	72.8
398.13882	4.6
414.02441	0.8
415.14691	13.3
416.15106	1.7
423.67200	0.9
505.79776	1.0
566.76453	0.9
589.24976	8.0
607.25824	5.6
657.34692	4.3
658.35986	1.3
675.35974	8.2
676.36755	1.6
867.48022	2.8
921.46429	37.8
922.46576	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	921.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	1.9
71.01270	28.8
71.58457	3.3
72.99200	2.1
73.02814	2.9
81.03357	3.2
83.01275	4.2
83.04898	3.7
85.02832	7.5
87.00787	8.9
89.02335	20.1
95.01313	4.6
97.02859	10.8
99.00800	2.4
101.02353	21.1
109.05811	2.6
109.06515	34.5
110.03639	2.0
110.06928	2.0
111.00793	1.8
112.93073	1.7
113.02351	11.6
119.03391	6.1
121.06482	2.3
125.02341	7.7
135.08066	3.8
142.02608	3.8
143.03464	4.9
149.04463	1.8
161.04520	4.4
163.11235	16.7
179.05530	4.5
181.12282	4.2
184.76768	1.7
207.10257	100.0
208.10609	3.3
209.11859	3.3
213.04503	1.8
221.06737	1.9
225.11340	38.8
226.11609	2.6
235.08211	6.4
255.23357	86.9
256.23691	5.6
287.07529	2.3
301.44760	1.9
305.08939	3.9
307.26202	1.8
379.12640	9.5
397.08475	2.7
397.13605	52.6
398.13849	3.1
415.14594	10.4
605.24390	6.5
623.25641	3.4
635.36194	3.8
653.37378	9.3
843.47650	3.0
861.48773	70.2
862.49109	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	921.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03358	0.8
70.22529	0.6
70.96413	1.1
71.01267	19.9
72.01614	1.2
72.55071	0.5
72.99207	0.9
73.02858	1.0
74.97414	0.5
80.02560	0.8
81.03360	1.0
83.01276	1.7
83.04900	3.2
85.02837	3.1
87.00763	4.2
89.01821	1.0
89.02341	10.3
89.02840	1.0
93.03370	0.6
95.01289	0.8
97.02842	2.0
101.02341	10.8
101.03007	0.7
113.02354	5.1
119.03431	3.9
125.02380	5.2
131.03471	1.0
133.02782	0.6
137.59335	0.5
143.03433	2.4
161.04526	3.3
163.11269	3.1
165.12802	1.7
167.03294	0.8
171.10234	4.1
172.10579	1.3
179.05577	6.7
191.05540	1.8
193.56590	0.5
199.09856	0.7
201.11275	0.9
202.11681	0.7
207.10249	1.6
209.11819	100.0
210.12181	5.6
217.07114	0.8
219.10043	1.0
221.06650	1.7
225.11320	0.7
227.12909	21.6
228.13258	1.5
230.52003	0.6
235.08209	5.7
251.13060	0.8
253.09219	0.8
259.08356	0.9
277.21780	49.2
278.22134	5.8
279.22571	1.2
287.07751	2.0
305.08774	2.6
323.10092	3.1
341.10880	0.9
374.00974	0.6
379.12570	15.1
380.12958	1.8
397.13593	58.3
398.13812	5.2
399.13629	0.6
415.14642	12.2
416.14981	1.4
427.19720	0.7
589.25024	8.6
590.25342	0.8
607.26147	9.3
608.26172	1.1
644.84973	0.7
657.34552	3.0
675.36133	4.1
676.36438	0.7
859.46112	0.7
867.48096	2.6
868.47882	0.7
885.48206	1.4
921.46442	34.8
922.46863	9.9
933.61450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03361	0.4
71.01274	9.9
71.60973	0.3
72.99205	5.4
73.02838	3.1
75.00763	0.3
78.95802	0.4
83.01281	2.2
85.02843	5.9
85.99998	0.7
87.00780	1.0
89.02341	1.9
93.03353	1.3
95.01286	0.7
96.95913	1.0
97.02878	0.5
99.00785	3.0
101.02352	7.8
111.00777	0.6
111.04426	0.3
113.02357	4.3
116.83950	0.2
117.03385	1.1
117.26572	0.2
119.04948	100.0
120.05267	4.2
121.02856	0.7
125.02364	0.3
129.01871	0.5
131.03426	0.3
133.06511	0.4
135.04419	0.4
137.02386	0.3
143.03441	0.3
145.02916	1.9
154.72031	0.2
159.02977	0.4
161.02380	0.6
161.04503	0.9
161.06000	0.8
162.03139	0.4
163.03960	57.8
164.04303	2.6
170.09122	0.3
173.04590	0.6
178.89482	0.3
185.05931	0.3
191.05620	2.8
192.06020	0.3
205.05077	1.1
265.33279	0.3
325.09540	0.4
331.19049	0.3
409.19003	0.3
439.12256	1.3
441.25256	0.4
457.13626	46.4
457.98819	0.3
458.13959	4.3
467.88303	0.3
481.28186	8.3
482.28503	1.2
902.89191	0.7
903.39056	0.4
921.41461	32.5
922.41760	8.1
922.60602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18504	0.1
69.03371	0.1
70.33041	0.1
71.01270	1.1
71.04908	0.4
71.57977	0.1
71.58362	0.2
73.02838	0.6
75.00766	0.2
81.03346	0.2
83.01256	0.3
85.02840	0.5
89.02341	0.3
93.03360	0.2
95.01322	0.2
95.04957	0.1
97.02853	0.4
99.00772	0.1
101.02357	0.8
109.02869	1.3
110.03684	0.2
111.04450	0.1
113.02361	0.6
119.03410	0.2
119.05000	0.2
121.02870	0.8
121.06567	0.2
122.03677	0.4
123.08061	0.9
126.33713	0.1
127.07543	0.1
129.01855	0.2
135.04442	0.2
137.02365	0.2
137.09657	0.2
147.04498	1.1
148.05241	100.0
149.05554	3.7
149.17818	0.2
161.02386	0.3
161.04500	0.2
162.03119	0.4
163.07596	97.0
164.07942	3.6
177.05505	0.3
179.03511	0.2
179.05589	0.2
179.07126	0.2
189.09225	0.2
191.05594	0.7
191.07120	0.2
193.05052	0.2
193.15993	0.2
203.05569	0.3
205.08710	0.4
217.16003	0.3
219.13847	0.3
259.20679	0.2
261.14948	0.3
275.20358	0.2
299.01901	0.1
303.19733	5.0
304.20187	0.4
327.19504	0.3
329.17682	3.5
330.17981	0.3
347.18719	20.1
348.19009	1.6
361.20203	0.3
367.14066	2.2
368.14612	0.2
371.18674	1.1
389.19742	1.0
401.19943	0.2
509.20087	0.2
535.25696	0.5
609.95575	0.1
634.12720	0.1
757.22253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18504	0.1
69.03371	0.1
70.33041	0.1
71.01270	1.1
71.04908	0.4
71.57977	0.1
71.58362	0.2
73.02838	0.6
75.00766	0.2
81.03346	0.2
83.01256	0.3
85.02840	0.5
89.02341	0.3
93.03360	0.2
95.01322	0.2
95.04957	0.1
97.02853	0.4
99.00772	0.1
101.02357	0.8
109.02869	1.3
110.03684	0.2
111.04450	0.1
113.02361	0.6
119.03410	0.2
119.05000	0.2
121.02870	0.8
121.06567	0.2
122.03677	0.4
123.08061	0.9
126.33713	0.1
127.07543	0.1
129.01855	0.2
135.04442	0.2
137.02365	0.2
137.09657	0.2
147.04498	1.1
148.05241	100.0
149.05554	3.7
149.17818	0.2
161.02386	0.3
161.04500	0.2
162.03119	0.4
163.07596	97.0
164.07942	3.6
177.05505	0.3
179.03511	0.2
179.05589	0.2
179.07126	0.2
189.09225	0.2
191.05594	0.7
191.07120	0.2
193.05052	0.2
193.15993	0.2
203.05569	0.3
205.08710	0.4
217.16003	0.3
219.13847	0.3
259.20679	0.2
261.14948	0.3
275.20358	0.2
299.01901	0.1
303.19733	5.0
304.20187	0.4
327.19504	0.3
329.17682	3.5
330.17981	0.3
347.18719	20.1
348.19009	1.6
361.20203	0.3
367.14066	2.2
368.14612	0.2
371.18674	1.1
389.19742	1.0
401.19943	0.2
509.20087	0.2
535.25696	0.5
609.95575	0.1
634.12720	0.1
757.22253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04430	0.5
68.99699	0.9
69.03330	0.8
71.01273	100.0
71.61784	1.0
72.01605	1.5
72.99220	1.7
73.02840	3.0
75.00788	0.9
80.96407	0.9
81.03358	1.2
83.01272	2.2
83.04940	0.9
85.02854	5.8
87.00785	4.5
89.02347	15.0
93.03351	0.9
95.01260	0.9
96.95921	1.5
97.02860	4.7
99.00793	2.2
101.02352	14.6
108.02091	0.7
109.06512	2.5
111.00807	0.6
111.04448	0.9
113.02368	9.1
114.31819	0.6
115.63098	0.6
119.03421	4.1
121.02906	0.6
125.02378	5.1
125.09676	2.1
127.11221	2.1
127.98735	0.6
129.01828	0.7
131.03482	0.9
139.03914	0.6
141.01912	0.7
143.03444	2.8
155.10793	0.7
161.04491	2.5
163.11261	3.2
167.03438	0.7
168.20558	0.6
171.10233	47.9
172.10622	2.2
173.04329	0.6
179.05608	3.1
181.08746	0.7
181.12302	0.8
191.05608	2.3
199.09743	9.3
201.11327	8.2
202.11617	0.7
207.10292	13.0
208.10625	1.2
221.06749	2.1
225.11345	9.2
226.11655	0.7
235.08270	4.9
243.12405	1.4
253.09247	0.7
265.14862	1.7
277.21796	52.3
278.22131	4.8
287.07867	1.2
293.50159	0.7
305.08948	1.5
379.12549	3.8
380.12750	0.7
397.13605	33.2
398.14041	2.1
415.14700	8.6
471.34940	3.9
605.24902	1.2
623.25531	1.4
675.36328	1.0
857.46326	1.4
883.47205	6.9
883.60461	0.7
884.48083	2.8
919.48950	6.8
920.49713	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	919.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	1.7
71.01271	100.0
71.49831	0.8
72.01616	0.7
72.99196	2.1
73.02842	4.1
73.13933	0.4
75.00740	0.6
75.56216	0.4
78.95776	0.6
81.03342	1.3
83.01298	2.3
83.04924	0.9
85.02843	20.6
86.03195	1.2
87.00761	5.0
89.02343	16.3
93.03371	0.8
95.01285	1.9
95.39362	0.5
96.95913	0.5
97.02863	5.2
97.06512	0.9
98.55406	0.5
99.00805	2.9
101.02354	17.1
109.02897	0.7
109.06522	5.5
111.00846	0.6
113.02377	9.3
115.03891	0.4
119.03425	4.4
121.06527	0.8
125.02364	6.6
125.09644	2.8
127.11218	2.5
131.03392	1.1
133.04974	0.7
135.08131	0.8
136.05237	0.6
137.09641	0.9
141.01857	0.9
143.03481	3.1
145.05029	0.6
153.09102	1.0
155.10722	1.3
161.04549	3.2
163.11266	3.4
171.10226	45.8
172.10564	2.1
179.05557	4.5
181.08687	0.8
181.12357	2.6
185.11766	0.8
191.05632	1.4
197.11836	0.7
199.06181	0.6
199.09735	11.6
199.13351	1.4
201.11295	13.5
207.10251	18.2
208.10580	1.4
209.11760	1.1
209.65227	0.5
215.12895	1.0
217.07176	0.8
221.06644	2.1
225.11330	14.8
226.11700	0.6
235.08273	6.0
243.12450	2.3
253.09315	0.8
263.07687	0.8
277.21786	66.6
278.22122	5.8
279.64322	0.5
287.07748	1.6
291.23422	0.6
304.53802	0.5
305.08887	1.5
323.09915	1.4
379.12500	6.2
397.13620	40.0
398.13995	3.4
403.25082	1.7
404.25601	1.4
405.26135	1.7
415.14700	8.8
416.15009	1.0
579.22937	1.2
605.24640	2.2
623.25842	2.0
675.36066	0.9
857.45074	2.2
858.46234	0.9
883.47235	9.0
884.47229	2.6
901.48566	2.7
902.48608	0.7
917.38739	0.6
919.49176	11.7
920.49738	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	919.494
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99706	0.8
69.03335	2.0
69.61656	1.0
69.62070	2.5
71.01273	100.0
72.01607	1.5
72.67049	0.6
72.99188	2.0
73.02836	5.1
81.03353	1.9
83.01276	2.2
83.04913	1.5
85.02841	7.2
87.00776	5.5
89.02341	16.7
93.03339	1.1
95.01285	2.4
95.04905	0.7
97.02853	5.4
98.19835	0.8
99.00786	3.6
99.04415	0.6
99.90530	0.4
101.02353	16.0
109.02871	0.7
109.06506	9.4
110.03664	0.5
111.00787	0.9
111.04441	0.7
113.02367	10.3
113.03162	0.6
119.03410	5.2
121.48515	0.5
124.01543	0.5
125.02380	6.8
125.09629	2.4
127.11211	3.2
130.40041	0.5
131.03458	0.8
135.08119	1.3
137.09685	1.3
141.01878	1.2
142.02679	1.0
143.03404	3.4
149.04507	0.7
153.09184	1.3
155.10756	1.7
161.04517	4.1
163.11256	5.7
165.09081	0.5
167.03488	0.7
171.10233	63.2
172.10559	2.3
173.04489	0.8
179.05574	5.8
181.08693	1.4
181.12283	2.5
185.11778	1.3
189.09085	0.6
191.05611	2.3
197.11787	0.8
199.09743	14.5
199.13451	1.7
200.09990	0.8
201.11307	24.7
202.11755	1.0
207.10255	25.1
208.10594	1.1
209.11891	0.8
215.12956	0.8
217.07190	1.1
217.10826	0.8
221.06653	4.1
222.07043	0.5
225.11333	19.4
226.11732	0.7
235.08250	5.2
243.12408	2.9
253.09364	1.8
263.07721	1.4
277.21799	59.4
278.22110	4.7
287.07767	1.8
305.08875	1.9
323.10019	1.5
379.12540	5.6
397.13599	35.1
398.13953	2.9
415.14676	10.9
416.15118	0.8
475.43695	0.5
491.74594	0.6
551.23383	0.6
569.24707	1.0
579.23010	1.5
597.23944	3.7
605.24475	2.3
606.25104	0.8
623.25769	4.8
857.45764	3.5
858.46429	1.3
883.47070	11.8
883.62872	0.8
884.47528	4.6
901.47485	2.4
919.49377	13.8
920.49811	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	919.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23543	3.3
71.01270	15.1
71.57895	6.3
85.02863	2.8
88.98700	23.8
89.02352	23.2
91.79636	3.4
96.95902	15.8
97.02853	6.3
101.02370	12.5
109.06525	20.1
113.02381	9.6
119.03412	4.9
125.02305	4.2
143.03448	3.5
149.21251	3.1
161.04518	6.4
163.11244	8.9
179.05556	5.2
207.10265	76.1
209.11868	4.7
225.11316	32.1
235.08264	9.1
277.21802	62.6
278.22110	4.2
379.12448	11.6
397.13620	84.5
398.14035	5.9
415.14685	16.5
415.25198	8.7
587.23480	4.9
605.24762	11.2
657.35535	4.5
675.36554	15.8
865.46619	10.7
883.47241	100.0
884.47034	25.2
919.44977	45.6
920.45203	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	919.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01277	12.4
71.29166	4.8
81.03355	2.2
85.02837	4.5
87.00784	4.2
88.98714	8.6
89.02349	14.8
96.95922	7.0
97.02856	6.9
99.00790	4.8
101.02341	12.4
109.06509	19.9
113.02383	10.7
119.03427	3.6
125.02386	8.8
143.03438	3.0
154.62585	2.3
161.04500	5.7
163.11226	11.2
179.05582	5.0
181.12331	2.7
191.05653	2.2
191.83875	2.4
199.13402	5.0
201.11337	3.4
207.10275	83.3
208.10629	3.0
209.11900	4.8
225.11353	39.6
235.08218	6.0
277.21777	49.1
278.22131	4.6
287.07779	2.7
305.08755	3.1
379.12711	12.0
397.13617	62.2
398.13931	7.9
415.14639	17.7
468.93277	2.5
587.22968	5.2
605.24561	22.9
623.25677	14.2
657.35083	4.0
675.36078	6.6
865.46289	5.8
883.47186	100.0
884.47589	24.1
902.43829	2.3
919.45099	46.4
920.46173	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	919.363
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00222	0.4
66.49264	0.1
68.98167	0.1
69.03351	0.2
70.75172	0.3
71.00915	0.1
71.01266	0.7
81.03352	3.4
82.03670	0.1
83.01276	0.6
85.02886	0.1
85.06480	0.6
87.04433	0.5
89.02359	0.1
93.03362	0.3
95.01300	0.2
95.04928	0.5
96.95922	0.3
97.02866	0.4
107.01260	0.2
109.02899	0.2
109.06499	2.1
109.07178	0.2
111.04427	3.2
113.02385	0.2
113.06038	0.2
116.92798	0.1
121.02894	0.2
122.03654	1.3
123.00800	0.1
123.04461	0.4
123.08088	0.3
125.02374	5.6
126.02740	0.2
127.07570	0.3
133.06575	0.1
135.00839	0.1
135.04446	0.2
135.08151	0.1
137.02371	0.2
139.03935	0.3
147.08145	0.1
149.02396	1.1
151.00327	1.0
151.07593	35.1
152.01131	0.3
152.07928	1.3
153.05507	0.3
161.02374	0.1
161.05945	0.1
162.03143	0.1
163.07553	0.3
165.05531	0.6
165.09125	0.1
167.03439	0.3
175.00317	0.4
177.05646	0.6
179.03409	0.2
179.07109	0.5
187.11314	0.1
189.12831	1.7
191.05574	0.1
191.07106	1.3
193.04980	0.1
193.08731	0.2
194.05872	0.3
195.06609	100.0
196.06946	4.8
197.11789	0.1
201.05550	0.3
205.08678	1.3
207.06606	0.8
208.07452	0.2
209.08183	1.9
209.11794	0.4
210.12140	0.2
219.06631	14.2
220.07016	0.8
221.08110	0.2
233.08176	0.1
237.07697	6.2
238.08009	0.2
243.14017	0.1
244.61740	0.1
249.07687	1.8
261.07684	0.3
269.19150	0.2
279.08658	0.2
309.20923	0.3
313.18173	12.7
314.18515	1.1
331.19241	0.3
339.10870	1.2
357.11993	8.8
358.12259	0.6
381.12115	0.6
397.13654	0.2
399.13034	40.2
400.13403	3.8
671.30884	2.1
672.31268	0.4
713.31219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01781	0.3
69.03342	1.1
71.01273	1.6
71.04889	0.3
71.61379	0.3
73.02831	0.6
78.95799	0.3
80.96415	0.3
83.01286	0.2
83.04924	4.3
85.02850	27.6
86.03193	0.5
87.00772	0.7
89.02345	1.1
93.03356	0.6
99.04420	0.5
101.02339	1.2
106.90614	0.2
109.06509	0.7
111.04435	0.4
111.08089	1.0
113.02371	0.8
119.03441	0.2
119.29686	0.2
121.06543	0.3
123.08080	2.1
125.84421	0.2
127.04005	0.2
145.02780	0.2
145.77513	0.2
149.09601	0.3
154.29189	0.2
159.04475	0.2
161.04498	0.4
161.13356	0.3
163.11223	0.6
170.97913	0.2
173.04478	0.2
179.05606	0.2
191.05602	2.3
192.05945	0.3
211.13416	0.2
235.08292	1.1
245.37810	0.2
253.09331	7.2
254.09782	0.2
257.19418	0.2
257.53439	0.2
275.20245	0.3
277.21802	44.2
278.22141	4.2
299.20248	0.5
317.21292	8.4
318.21838	0.9
332.39230	0.2
385.23508	0.2
403.25003	100.0
404.25333	12.7
469.07767	0.2
482.71823	0.2
513.30841	0.4
642.78680	0.2
783.78711	0.2
904.52905	0.2
917.47522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	1.2
71.01274	13.7
71.61236	0.6
72.99211	1.0
73.02840	1.5
75.00737	0.6
80.02572	1.3
80.96395	0.6
81.03355	1.6
83.01276	1.8
83.04919	4.4
84.02071	1.0
85.02843	3.3
87.00786	2.6
89.02343	10.5
92.25457	0.4
93.03374	1.1
95.01276	1.1
95.04932	0.8
97.02827	2.1
99.00761	0.6
99.04434	1.6
101.02350	9.1
106.60970	0.4
109.02836	0.5
110.57592	0.4
113.02354	5.6
119.03419	3.2
121.78075	0.4
125.02360	5.1
125.06010	0.6
126.02739	0.4
131.03387	0.6
135.04451	0.5
135.08104	0.8
139.03966	0.6
143.03429	2.1
147.26399	0.4
161.04514	3.1
163.11275	3.3
165.12825	2.7
173.04520	0.5
179.03430	0.4
179.05576	3.3
181.12296	0.6
191.05626	2.1
191.10767	0.9
209.11829	100.0
210.12181	5.3
217.07190	0.7
218.70763	0.3
221.06624	1.2
227.12900	9.7
228.13243	0.5
235.08218	3.3
251.12869	0.8
253.09360	0.8
259.08429	0.5
259.15552	0.6
277.21793	41.1
278.22134	3.7
287.07797	1.6
305.08829	1.4
323.09848	0.9
340.49973	0.4
379.12503	7.5
397.13608	31.0
398.13809	2.5
415.14716	6.8
416.14621	0.7
417.26593	1.9
499.30893	0.5
532.27771	0.4
551.29834	0.5
589.25043	1.2
607.26367	2.8
608.26385	0.7
657.34882	0.7
675.35962	1.0
755.44617	0.5
917.52429	0.8
918.50226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33326	1.1
67.93474	1.0
71.01270	34.9
72.99201	1.6
73.02835	10.6
74.05228	0.9
83.01283	4.1
84.02114	0.9
85.02843	17.2
87.00768	1.8
88.05959	1.0
89.02349	4.0
91.01820	1.1
93.03357	2.3
95.01296	3.1
97.02837	2.6
98.17345	1.0
99.00810	5.9
99.08070	5.5
101.02354	17.3
108.79414	1.0
109.02845	1.5
111.04417	1.4
111.63120	1.0
113.02349	17.2
118.71965	0.9
119.03430	2.6
119.04958	1.8
123.08063	1.7
125.02378	1.7
127.07571	10.3
127.11220	7.1
130.08774	0.9
135.00795	3.6
137.09686	1.1
139.11220	4.9
143.03448	1.1
153.01868	3.7
154.77348	1.1
155.10706	1.4
157.12280	26.8
158.12665	1.1
159.02951	2.2
161.02411	2.3
161.04498	9.9
163.03943	2.8
169.12302	1.5
173.04535	2.6
177.01866	1.3
179.03369	1.3
179.05547	1.3
179.12961	0.9
179.97592	0.9
191.05553	9.9
191.07138	14.0
192.05968	1.4
203.05513	5.5
203.14389	2.1
205.08690	10.3
206.09264	2.4
207.10309	1.0
221.08067	1.5
228.30945	1.0
271.02481	5.0
299.02017	13.3
300.02249	1.9
301.16595	1.8
313.18210	7.2
314.42761	1.2
319.17673	9.4
331.19220	100.0
332.19501	8.5
337.09222	1.2
349.20270	70.5
350.20544	6.6
361.18750	78.1
362.18979	5.6
364.62408	1.2
373.20151	3.9
384.73993	1.1
391.21274	3.4
405.12170	2.1
406.20648	2.4
511.25558	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	917.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	1.2
71.01274	13.7
71.61236	0.6
72.99211	1.0
73.02840	1.5
75.00737	0.6
80.02572	1.3
80.96395	0.6
81.03355	1.6
83.01276	1.8
83.04919	4.4
84.02071	1.0
85.02843	3.3
87.00786	2.6
89.02343	10.5
92.25457	0.4
93.03374	1.1
95.01276	1.1
95.04932	0.8
97.02827	2.1
99.00761	0.6
99.04434	1.6
101.02350	9.1
106.60970	0.4
109.02836	0.5
110.57592	0.4
113.02354	5.6
119.03419	3.2
121.78075	0.4
125.02360	5.1
125.06010	0.6
126.02739	0.4
131.03387	0.6
135.04451	0.5
135.08104	0.8
139.03966	0.6
143.03429	2.1
147.26399	0.4
161.04514	3.1
163.11275	3.3
165.12825	2.7
173.04520	0.5
179.03430	0.4
179.05576	3.3
181.12296	0.6
191.05626	2.1
191.10767	0.9
209.11829	100.0
210.12181	5.3
217.07190	0.7
218.70763	0.3
221.06624	1.2
227.12900	9.7
228.13243	0.5
235.08218	3.3
251.12869	0.8
253.09360	0.8
259.08429	0.5
259.15552	0.6
277.21793	41.1
278.22134	3.7
287.07797	1.6
305.08829	1.4
323.09848	0.9
340.49973	0.4
379.12503	7.5
397.13608	31.0
398.13809	2.5
415.14716	6.8
416.14621	0.7
417.26593	1.9
499.30893	0.5
532.27771	0.4
551.29834	0.5
589.25043	1.2
607.26367	2.8
608.26385	0.7
657.34882	0.7
675.35962	1.0
755.44617	0.5
917.52429	0.8
918.50226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33326	1.1
67.93474	1.0
71.01270	34.9
72.99201	1.6
73.02835	10.6
74.05228	0.9
83.01283	4.1
84.02114	0.9
85.02843	17.2
87.00768	1.8
88.05959	1.0
89.02349	4.0
91.01820	1.1
93.03357	2.3
95.01296	3.1
97.02837	2.6
98.17345	1.0
99.00810	5.9
99.08070	5.5
101.02354	17.3
108.79414	1.0
109.02845	1.5
111.04417	1.4
111.63120	1.0
113.02349	17.2
118.71965	0.9
119.03430	2.6
119.04958	1.8
123.08063	1.7
125.02378	1.7
127.07571	10.3
127.11220	7.1
130.08774	0.9
135.00795	3.6
137.09686	1.1
139.11220	4.9
143.03448	1.1
153.01868	3.7
154.77348	1.1
155.10706	1.4
157.12280	26.8
158.12665	1.1
159.02951	2.2
161.02411	2.3
161.04498	9.9
163.03943	2.8
169.12302	1.5
173.04535	2.6
177.01866	1.3
179.03369	1.3
179.05547	1.3
179.12961	0.9
179.97592	0.9
191.05553	9.9
191.07138	14.0
192.05968	1.4
203.05513	5.5
203.14389	2.1
205.08690	10.3
206.09264	2.4
207.10309	1.0
221.08067	1.5
228.30945	1.0
271.02481	5.0
299.02017	13.3
300.02249	1.9
301.16595	1.8
313.18210	7.2
314.42761	1.2
319.17673	9.4
331.19220	100.0
332.19501	8.5
337.09222	1.2
349.20270	70.5
350.20544	6.6
361.18750	78.1
362.18979	5.6
364.62408	1.2
373.20151	3.9
384.73993	1.1
391.21274	3.4
405.12170	2.1
406.20648	2.4
511.25558	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	917.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03846	0.2
67.01778	4.0
69.03339	1.5
71.01270	2.7
71.01630	0.3
72.24055	0.2
73.02833	0.6
75.00794	0.2
77.12766	0.2
78.54357	0.2
81.03354	1.0
81.67029	0.2
83.01302	0.3
83.04922	0.8
85.02343	0.4
85.02845	6.1
87.00771	7.0
93.03361	32.1
94.03721	0.9
95.69476	0.2
96.95916	7.0
97.02864	1.5
99.00780	0.8
99.04411	0.5
101.02371	0.6
103.00291	0.2
108.02085	0.4
109.02886	1.1
111.04436	4.2
112.04751	0.3
113.02376	0.6
115.03941	0.2
117.03385	0.5
117.42354	0.2
119.04948	10.5
120.05293	0.4
127.03917	1.6
127.07578	0.5
127.22412	0.2
129.01891	0.9
133.06458	0.2
134.03647	0.3
135.04512	0.2
137.02394	0.5
143.03380	0.3
145.02893	2.2
153.01855	0.3
155.03444	1.4
163.03963	9.2
164.04324	0.5
165.05637	0.3
166.02782	0.2
166.95576	0.2
171.03023	0.5
173.04514	10.7
174.04810	0.4
175.30133	0.2
189.12875	0.4
191.05586	100.0
192.05930	3.4
205.08704	0.6
223.04384	0.2
230.10181	0.3
239.07442	0.5
273.07767	0.5
283.02426	0.2
311.11716	0.3
313.18201	2.1
314.18491	0.3
331.19434	1.0
337.09363	27.7
338.09723	2.3
369.10510	0.2
379.10367	0.3
389.25061	0.4
433.23923	0.8
435.21463	0.2
449.14371	0.2
456.72202	0.2
477.23007	0.7
495.24072	2.5
496.24542	0.5
554.14392	0.2
651.28339	1.3
665.29010	0.2
669.29340	18.0
670.29614	3.5
711.30414	0.9
755.34167	0.2
831.34399	0.5
873.35681	13.7
874.35956	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	917.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01135	0.4
67.01770	1.3
69.03334	0.5
69.56294	1.2
69.56719	2.3
71.01276	3.1
73.02827	1.0
78.95798	1.7
79.95645	0.4
81.03325	0.5
85.02840	4.7
87.00776	2.5
89.02340	0.5
93.03361	10.2
96.96867	1.0
99.04423	0.5
101.02353	1.1
107.04878	1.1
108.02083	2.5
109.02869	1.6
111.04427	3.0
113.02364	1.4
117.03390	0.7
119.04949	7.0
121.43864	0.4
127.03904	1.4
128.75990	0.5
133.02859	2.6
134.03674	3.1
135.04451	36.6
136.04788	2.3
137.02390	0.9
145.02858	2.3
151.03967	0.5
152.01100	4.1
155.03432	1.9
161.02377	7.6
161.04478	0.8
163.03955	14.2
164.04312	0.8
167.42656	0.5
173.04518	8.2
173.05981	0.5
177.01793	0.5
179.03455	39.3
180.03818	1.7
191.05582	100.0
192.05966	3.3
195.06581	1.4
225.88214	0.5
233.09428	1.1
294.05536	0.5
299.02118	0.7
319.08221	1.4
335.07785	0.7
337.09348	30.3
338.09619	1.9
353.08844	70.7
354.09161	5.7
373.18845	0.6
466.46426	0.5
499.12561	23.7
500.12888	2.4
665.15247	0.8
823.22913	0.5
917.29712	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	917.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	1.1
69.03332	0.3
71.01274	2.2
73.02840	1.0
75.00747	0.2
78.95810	0.5
81.03360	0.4
83.01284	0.5
83.04919	0.3
85.02843	4.5
87.00764	2.1
87.01215	0.2
89.02383	0.2
93.03362	9.5
94.03680	0.3
95.01290	0.3
96.96860	0.3
99.00819	0.4
101.02325	1.4
107.04933	0.6
108.02068	0.9
109.02873	0.7
111.04431	2.6
113.02359	0.8
117.03394	0.9
119.04944	9.9
120.05293	0.2
127.03928	1.1
128.04379	0.2
129.01903	0.5
133.02878	2.1
134.03696	2.3
135.04451	37.5
136.04784	1.4
137.02379	0.7
140.03314	0.2
143.03424	0.2
145.02901	2.0
149.04495	0.2
152.01112	1.6
153.01685	0.1
153.63817	0.2
155.03433	2.4
161.02396	6.3
161.04533	0.5
163.03960	19.3
164.04288	0.9
170.92371	0.2
173.04517	7.7
174.04846	0.2
177.01979	0.2
179.03459	36.9
180.03795	1.7
191.05585	100.0
192.05939	3.3
218.59454	0.2
233.09651	0.3
247.17746	0.2
271.02594	0.2
300.02740	0.2
319.08234	1.1
331.17819	0.2
335.07828	1.1
337.09363	33.0
338.09732	2.5
353.08841	64.2
354.09201	5.0
373.19055	0.4
455.22708	0.5
499.12564	20.5
500.13174	2.2
627.58606	0.2
635.69806	0.2
637.89807	0.2
895.56165	0.2
917.29993	1.0
918.29468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.503
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11600	0.4
69.66602	1.8
69.67013	0.7
78.95795	29.8
80.96408	0.5
87.00781	0.4
93.03366	1.1
96.95933	0.9
96.96835	2.3
135.04422	0.8
150.98001	0.5
152.99530	46.5
153.99861	0.5
165.66649	0.3
171.00604	11.4
173.04512	0.6
179.03497	0.6
191.05635	2.7
227.03284	2.4
245.04352	54.5
246.04622	1.9
253.21765	20.7
254.22153	1.6
262.68069	0.4
272.75638	0.4
288.88501	0.3
353.09106	0.6
431.56921	0.3
433.23795	2.1
481.25833	100.0
482.26129	11.4
787.32782	0.4
915.47772	0.5
916.48230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99910	0.1
65.00237	0.2
67.49519	0.1
71.01278	0.3
71.58469	0.1
73.02836	0.1
81.03364	0.1
85.02843	0.2
87.00774	0.1
87.04430	0.1
89.02351	0.2
93.03349	0.5
95.01299	0.2
96.95899	0.2
97.02870	0.1
101.02329	0.2
105.05623	0.1
111.04436	2.1
112.04745	0.1
113.02395	0.2
117.03407	0.1
119.04971	0.1
121.02875	0.1
123.00800	0.3
123.08034	0.1
124.01585	1.7
125.02380	0.1
129.73303	0.1
133.02870	0.2
134.03676	0.1
135.04472	0.3
137.02386	0.1
139.03934	1.2
148.05273	0.1
148.52277	0.1
149.02388	0.2
149.99521	0.1
150.03165	0.2
151.00282	0.1
151.07602	0.4
152.01096	13.4
153.01422	0.5
155.03381	0.1
161.02324	0.4
161.04544	0.1
163.03999	0.1
163.07628	0.1
165.01884	1.1
165.05511	0.2
165.09114	0.1
166.02721	0.3
166.06297	0.2
173.04492	0.3
176.04750	0.7
177.05490	0.3
179.03418	0.6
184.00049	0.1
191.05586	1.0
191.07120	0.5
193.05005	0.1
194.05824	11.5
195.06564	1.7
205.08717	0.2
209.08186	100.0
210.08514	5.0
226.04892	0.2
227.09148	0.1
271.02551	0.2
299.01974	0.4
329.17661	0.6
331.17841	0.1
347.18610	0.2
353.08829	0.1
353.12628	0.2
373.18628	0.1
375.14548	0.2
413.14627	1.3
414.14951	0.2
423.16528	0.3
449.14374	0.2
457.17148	0.2
467.15939	0.3
654.77972	0.1
723.22260	0.1
770.12756	0.1
914.44720	0.1
915.30701	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	913.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67983	0.9
67.37737	0.9
69.03355	1.3
70.07417	4.0
71.01267	88.9
72.01582	1.0
72.99191	4.0
73.02432	1.7
73.02829	19.2
75.00754	1.8
77.68367	0.9
78.95793	1.4
83.01276	9.1
85.02839	32.8
85.45325	0.8
87.00775	5.5
89.02336	40.3
90.02648	1.0
93.03361	2.3
95.01292	5.8
96.95889	0.9
97.02837	3.0
99.00784	7.3
99.04470	0.9
101.02344	50.3
102.02692	1.5
107.93837	0.9
109.02860	1.2
111.00731	1.3
113.02354	35.5
115.14091	0.8
118.19023	0.8
119.03414	17.9
119.04981	1.1
125.02356	1.6
126.70103	1.0
129.83186	0.9
131.03403	2.4
133.02911	2.3
134.03630	1.6
135.04463	1.9
139.00325	0.9
143.03438	7.1
149.04459	1.5
155.03397	0.9
159.02922	4.8
161.02490	1.3
161.04498	32.0
169.12311	1.8
173.04436	1.1
179.03415	1.2
179.04002	1.4
179.05548	11.9
191.05591	8.3
192.05887	1.1
203.05511	1.0
227.74141	0.9
233.09546	1.2
271.02524	3.5
299.02100	8.1
300.02499	2.5
306.03159	1.0
313.16541	7.4
331.17657	59.8
332.17859	4.8
333.20822	2.6
353.08664	1.6
373.18735	100.0
374.19089	9.2
379.10562	1.1
417.17676	1.2
477.25000	9.1
495.26105	77.1
496.26382	7.4
537.27258	6.0
736.06439	1.1
895.38000	2.3
895.89703	2.2
910.33838	1.1
917.67377	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00197	0.6
66.65222	0.3
69.03342	0.4
71.01272	22.8
71.04922	0.4
72.99196	0.9
73.02841	7.6
73.85346	0.3
78.95785	0.4
79.98664	0.3
81.03380	0.4
83.01278	3.6
85.02844	10.0
87.00745	1.0
89.02335	5.9
93.03359	0.5
95.01292	1.9
96.95905	3.3
97.02841	1.2
97.06463	0.8
98.20581	0.7
99.00795	2.5
101.02348	15.5
101.68850	0.3
107.01292	0.8
108.02077	0.3
109.02851	1.4
113.02360	10.0
114.02699	0.4
119.03438	3.0
119.04917	0.7
120.99560	0.4
122.46281	0.3
123.08048	0.4
125.02353	0.9
127.07593	1.8
129.01836	0.4
131.05008	0.3
133.02892	3.1
135.04414	1.4
143.03416	1.2
143.04987	0.5
145.02913	0.4
147.00894	0.4
147.04485	0.5
147.08037	0.4
149.04483	1.0
150.03133	0.5
151.00285	1.4
157.02820	0.8
159.02998	2.0
159.04193	0.5
161.02466	2.1
161.04506	9.1
161.09593	0.8
163.03972	0.6
163.11212	1.2
165.01790	0.4
166.02632	0.3
171.04492	1.7
173.02310	0.8
174.42220	0.3
175.03946	1.1
178.99873	0.4
179.03429	0.8
179.05589	1.1
183.04446	0.7
187.03998	0.8
189.05583	0.4
191.05536	2.5
191.07121	7.2
193.04962	0.5
195.06636	2.2
197.02304	0.5
198.03104	0.5
199.03990	5.5
200.04269	0.5
201.01979	2.0
201.09129	0.5
203.03386	0.4
203.10674	1.0
205.08696	6.2
205.10468	0.3
205.12675	0.3
214.02646	0.6
215.03499	2.1
221.08229	0.7
226.02768	0.8
227.03496	2.7
228.03749	0.3
229.01529	0.4
229.08708	0.8
242.02193	0.9
243.03017	3.6
255.03009	1.2
269.19031	0.6
271.02542	39.7
272.02887	4.1
277.44748	0.3
287.20282	0.3
297.17148	0.3
299.02045	100.0
300.02383	10.6
300.05688	0.7
305.21375	0.3
306.57565	0.4
313.03586	0.4
313.18036	1.1
314.04730	0.4
315.18192	20.8
316.18457	1.2
329.21268	0.9
331.19232	74.3
332.19547	6.1
345.20844	0.6
349.20294	13.3
350.20605	1.1
355.19022	0.5
357.19269	23.1
358.19568	1.6
359.17432	0.4
363.21844	1.2
373.20279	9.2
374.20340	0.6
385.20724	0.4
391.21390	5.8
392.21524	0.4
401.18326	1.6
403.21680	1.6
421.22516	0.6
433.22617	0.9
451.23441	0.8
469.53717	0.3
511.25858	1.9
531.99426	0.4
569.12946	1.0
574.92377	0.4
913.44513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03350	1.1
69.12358	0.9
69.39742	3.2
69.40171	3.9
71.01270	88.8
72.01596	1.3
72.99209	4.2
73.02834	19.0
75.00756	1.6
83.01279	10.0
85.02444	0.5
85.02844	35.1
87.00784	5.0
89.02338	44.8
90.02702	1.0
95.01273	7.3
97.02859	3.0
99.00774	7.7
101.02350	60.9
102.02748	1.1
113.02360	40.8
119.03420	17.9
125.02382	2.0
127.88993	0.9
129.01880	1.5
131.03426	3.2
133.02870	1.0
135.04472	1.2
143.03442	7.5
149.04494	2.6
158.54190	0.9
159.02940	6.4
161.02467	1.6
161.04507	29.2
169.12308	2.1
173.04482	1.5
179.04021	1.5
179.05562	14.2
191.05611	5.3
191.10739	1.0
192.05928	0.9
201.97931	0.8
203.05476	1.1
240.38934	0.9
271.02560	1.0
299.02176	1.3
313.16611	7.8
315.19742	1.3
331.17700	59.9
332.18076	5.8
333.20752	2.8
373.18747	100.0
374.19092	9.7
405.50754	1.0
433.39362	0.9
477.25003	10.7
478.25647	2.2
495.26093	83.3
496.26569	10.6
537.27332	7.3
538.27332	1.1
737.58545	0.9
895.38397	1.5
895.87518	1.1
941.74866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	0.5
69.80537	2.0
71.01267	29.0
72.01646	0.5
72.99203	1.2
73.02837	12.9
75.00761	1.4
81.03336	0.5
83.01274	5.3
85.02843	13.9
85.03358	0.7
87.00775	1.3
89.02340	7.0
93.03373	0.5
95.01276	2.8
96.95916	1.8
97.02859	2.1
97.06527	0.8
99.00792	3.9
101.02348	20.6
107.01308	0.5
109.02867	0.9
111.00804	0.4
111.04398	0.4
113.02355	14.4
114.02693	0.7
119.03431	3.6
119.04906	0.4
120.99609	0.6
123.08073	0.9
125.02357	0.8
127.07567	1.8
131.03435	1.2
133.02867	1.8
134.03674	0.7
135.04434	1.0
143.03423	1.5
147.08060	0.8
149.04469	1.8
149.34222	0.4
151.03966	0.5
152.01115	0.5
155.03403	0.4
159.02950	2.3
159.04166	0.4
161.02359	1.8
161.04506	12.7
161.09673	1.0
163.11211	1.7
171.04428	1.2
173.04549	0.7
175.03940	1.0
179.03473	1.0
179.05536	1.0
183.04468	0.5
184.77773	0.4
187.03990	0.5
191.05557	2.1
191.07086	11.3
192.07414	0.5
195.06599	1.2
199.03989	2.7
200.04439	0.4
201.01888	0.8
201.09181	0.9
203.03548	0.6
203.05527	0.9
203.10764	1.2
204.11481	0.5
205.08691	8.1
206.09325	0.9
215.03502	1.1
221.06430	0.5
221.08260	1.3
227.03444	1.1
229.08720	0.6
243.03046	1.1
269.19055	0.7
271.02536	18.1
272.02914	1.8
283.02359	0.5
287.20200	0.6
299.02026	40.6
300.02435	4.6
313.18338	0.9
315.18192	25.2
316.18521	1.8
329.21255	0.8
331.19211	100.0
332.19571	10.2
336.90829	0.5
349.20285	17.0
350.20660	1.0
355.18729	0.5
356.17606	0.6
357.19260	27.7
358.19553	1.7
363.21753	0.9
373.20255	12.2
374.20682	1.1
385.20337	0.5
391.21289	8.0
392.21655	0.6
401.18411	2.0
403.21286	1.8
451.23471	0.7
511.25757	1.0
569.13184	0.7
602.68036	0.4
913.41754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01274	0.4
71.37471	0.2
78.95751	0.2
81.03349	0.6
85.02848	0.4
87.00739	0.1
88.77275	0.1
91.08212	0.1
92.87424	0.1
93.03349	0.6
95.01278	0.2
95.04915	0.4
96.95921	0.3
97.02847	0.5
97.06500	0.3
99.04453	0.3
108.02101	0.2
109.02892	0.2
113.02359	0.3
121.02863	2.5
122.03667	3.3
123.04418	0.5
132.02116	0.4
133.02872	0.3
133.06526	0.2
133.10162	0.3
134.03677	0.3
135.04474	0.3
135.08092	0.5
135.11678	0.2
146.03641	0.3
147.04475	0.3
147.08110	0.2
149.02385	34.3
150.03178	10.7
151.03534	0.5
153.05493	0.1
157.06367	0.2
159.08096	0.5
161.09665	0.7
163.11227	0.2
164.04739	7.9
165.05528	11.8
166.06285	2.0
167.07117	1.6
173.09706	0.8
179.03496	0.2
179.07056	0.3
180.04221	0.6
181.05096	0.2
181.08734	0.9
187.11218	0.9
189.05510	0.5
189.12828	18.0
190.13145	1.2
191.05579	0.6
191.07100	3.8
192.07446	0.2
195.06612	5.1
196.06888	0.5
203.14493	0.2
205.08693	12.5
206.09036	0.8
207.10252	0.5
209.71938	0.1
221.08286	0.3
243.13930	0.6
267.17654	0.2
269.19177	2.5
270.08862	0.3
273.61795	0.2
282.08926	0.2
283.02646	0.3
283.09778	1.3
283.17029	0.3
285.11383	0.6
285.18753	0.4
287.20148	0.2
295.17175	0.2
313.18170	100.0
314.11676	14.9
314.18457	10.8
315.12079	1.3
315.18661	0.6
327.12784	0.2
328.12680	0.1
329.14011	46.4
329.50208	0.2
330.14355	4.2
331.19165	3.0
332.19409	0.5
334.85016	0.2
359.15317	0.3
376.14917	0.2
377.16132	21.5
378.16458	2.3
912.45917	0.2
913.47705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.6017
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95792	90.2
95.96114	0.2
96.96862	71.8
112.32637	0.1
113.01688	0.1
119.45279	0.1
129.96104	0.1
233.09491	100.0
234.09825	4.6
341.53891	0.1
488.68848	0.1
491.29630	0.1
677.49762	0.3
911.60114	5.1
912.60437	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.373
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18243	0.6
69.03339	24.4
69.28054	7.5
70.45057	0.6
71.01269	10.5
71.04923	1.0
72.99158	0.7
73.02841	6.3
74.98680	0.7
76.93479	0.6
83.01271	2.0
85.02842	7.0
85.06493	3.2
87.00764	1.3
89.02364	0.8
90.72044	0.7
93.03377	1.1
95.04915	0.6
97.02855	56.4
98.03180	1.6
101.02341	6.9
104.60969	0.6
113.01704	0.9
113.02361	7.4
115.03930	13.0
121.02895	0.8
123.04433	1.2
125.02341	0.9
139.03947	0.8
143.03467	0.7
150.39853	0.6
161.04483	1.4
165.05611	0.9
191.05569	2.8
209.98450	0.6
213.60562	0.6
214.15112	0.7
275.23837	2.6
299.02072	0.7
301.21741	2.3
319.22849	25.5
320.23276	2.1
329.28610	0.8
373.27625	1.4
417.26596	18.5
418.26923	2.7
441.26532	1.0
561.30750	4.3
579.31909	4.0
580.32684	1.0
603.31775	4.2
621.32965	100.0
622.33185	15.8
663.33954	11.6
664.34290	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	911.467
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01771	1.1
68.99703	1.0
69.03339	0.4
69.45660	2.2
71.01270	15.1
71.86913	0.2
72.01598	0.2
72.99201	2.8
73.02840	1.5
75.00765	3.1
83.01282	3.0
84.02074	0.6
85.02845	36.0
86.00021	0.3
86.03168	0.6
87.00784	1.7
89.02339	7.4
93.03367	0.3
95.01295	4.5
96.95879	0.5
97.02845	0.7
98.19783	0.3
99.00786	7.1
101.02321	1.7
111.00779	5.4
112.01591	0.8
113.02359	28.2
114.02710	0.8
121.02874	0.3
129.01813	0.4
131.02472	0.4
131.03433	7.0
139.00319	3.5
149.04492	0.7
157.01294	0.9
162.50223	0.3
177.38887	0.3
191.05589	1.4
195.06647	0.3
236.97209	0.2
439.32397	0.8
451.32101	0.4
453.33905	3.0
454.34369	0.3
467.31683	0.4
469.32938	1.3
471.34900	6.7
472.35202	1.1
499.34415	1.9
500.34915	0.5
515.34052	0.9
516.34906	0.3
527.33594	0.6
540.38403	0.3
553.35260	0.7
567.37000	3.7
568.37103	0.8
585.38220	1.8
586.38074	0.3
911.46680	100.0
912.47003	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	911.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01776	1.4
67.14215	0.6
68.99704	0.9
71.01273	16.0
71.59832	1.1
71.60218	0.8
72.01604	0.7
72.99196	4.1
73.02844	1.5
75.00767	4.3
83.01274	4.5
83.66514	0.7
85.02845	29.6
85.03362	1.5
87.00769	4.5
89.02335	9.1
95.01288	4.7
96.95917	1.7
97.02859	0.7
99.00788	7.9
101.02365	2.1
101.87118	0.7
111.00800	6.7
113.02358	21.6
120.24785	0.6
129.01930	1.0
131.03427	9.7
135.04460	1.0
135.16956	0.7
137.75992	0.8
139.00339	4.4
149.04451	1.3
150.03210	0.8
157.01372	1.5
173.04584	1.0
179.03406	0.7
189.12871	1.8
191.05569	5.6
195.06641	1.3
203.07103	0.7
205.08720	1.0
271.02530	1.3
299.01990	3.2
313.18146	3.4
314.18564	1.2
351.45746	0.6
423.32794	0.8
439.32193	1.2
453.34015	1.4
469.33377	0.8
471.35477	4.8
472.35010	0.9
499.34344	2.5
567.37018	2.7
585.37970	1.5
768.51007	0.7
911.46692	100.0
912.46985	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64958	0.4
66.76553	0.4
67.01773	1.2
68.99702	1.2
69.03343	0.7
69.48153	2.8
69.48575	0.9
71.01270	15.1
72.99208	2.5
73.02837	2.4
75.00768	4.0
81.03372	0.4
83.01267	3.6
84.02068	0.6
85.02841	37.8
86.03168	0.9
87.00774	1.9
89.02333	7.5
93.03343	0.8
95.01284	4.5
96.95899	3.1
97.02876	0.8
98.20625	0.6
99.00777	9.2
101.02345	1.1
111.00786	4.6
112.01628	0.5
113.02357	26.4
114.02715	0.8
125.02381	0.5
129.01854	0.4
131.03433	6.6
133.02878	0.7
135.04482	1.1
137.02374	0.5
139.00304	3.7
140.00671	0.4
148.73325	0.4
149.04517	0.6
157.01360	0.9
161.02361	0.9
173.04533	0.7
179.03424	0.4
191.05626	3.5
299.01929	0.6
439.10617	0.6
439.32281	1.1
453.34015	2.5
465.59702	0.5
469.33206	1.7
471.34882	7.8
472.35266	1.1
487.33627	0.5
499.34341	1.5
508.05884	0.4
515.34064	1.4
527.33936	0.5
553.35260	1.2
567.36963	2.8
585.38159	1.4
587.36383	0.4
631.24237	0.5
911.46680	100.0
912.47046	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	911.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01779	1.7
68.99709	1.5
69.03360	0.3
71.01273	17.0
71.04898	0.3
71.58830	0.3
72.01612	0.4
72.99201	3.6
73.02837	1.5
75.00368	0.3
75.00766	4.2
83.01276	3.9
85.02842	12.1
86.03197	0.3
87.00790	2.0
89.02339	10.2
93.03366	0.5
95.00655	0.2
95.01286	6.3
97.02875	0.5
99.00785	6.5
101.02348	2.0
104.90975	0.3
109.02864	0.4
111.00798	8.2
111.01577	0.4
112.01579	0.7
113.02361	11.8
115.00362	0.3
121.02888	0.3
123.08067	0.7
124.08382	0.3
126.45265	0.2
129.01872	1.4
131.03416	1.9
135.04472	0.5
136.01601	1.5
137.01942	0.3
138.99269	0.3
139.00304	4.7
149.02318	0.3
149.04509	0.6
150.03174	0.6
151.03970	1.9
151.07559	0.4
151.73259	0.2
152.04326	0.3
157.01389	1.3
157.02455	0.2
161.02438	0.4
165.05498	0.7
173.04515	0.3
175.02394	0.3
191.05728	1.2
191.07130	1.1
195.06644	1.3
196.06813	0.3
205.08707	1.0
271.02631	0.2
284.02850	0.2
297.07535	0.4
299.02103	0.5
302.11414	0.2
309.07715	0.6
312.10013	0.2
324.10022	0.4
327.12354	0.9
329.17654	1.9
330.17960	1.5
331.19217	7.4
332.19574	0.9
339.12521	0.7
347.18915	1.0
348.18979	0.6
357.13440	1.2
358.13647	0.7
359.13812	0.4
368.15707	0.2
423.32864	0.6
437.30521	0.3
439.32434	1.1
453.33878	1.3
469.33405	1.6
471.34976	5.5
472.35202	1.0
499.34433	1.4
505.18710	0.8
513.36334	0.3
527.33759	0.6
553.20776	0.5
553.35413	0.9
567.28149	0.4
567.37018	5.4
568.37054	1.1
585.38104	3.5
586.38672	0.4
587.35400	0.3
629.37592	0.3
647.38129	0.4
717.42462	0.5
779.42230	4.7
780.43097	1.4
844.06732	0.3
880.89203	0.3
881.39838	0.4
911.46692	100.0
912.47070	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91677	0.2
67.01769	1.0
68.21010	0.2
68.99692	0.7
69.03336	0.3
71.01269	19.0
71.57154	0.3
72.01608	0.3
72.99194	4.2
73.02834	3.3
75.00763	3.5
82.79115	0.2
83.01277	4.2
84.02045	0.2
85.02841	12.7
85.99989	3.2
86.03185	0.3
87.00769	15.1
89.02335	11.7
93.03368	0.5
95.01281	5.2
96.95911	1.0
97.02847	0.5
99.00780	5.3
99.04445	0.3
101.02349	6.4
101.03012	0.4
102.02773	0.2
103.00256	0.5
111.00790	5.8
113.02358	10.8
114.02686	0.2
115.00298	0.2
119.03388	0.3
122.73415	0.2
123.08074	0.3
129.01842	0.5
131.03426	26.2
132.03784	0.7
133.02855	0.5
134.03690	0.2
134.08958	0.2
135.04457	0.5
139.00310	3.6
149.04497	4.4
153.09120	0.7
155.03423	0.3
157.01344	1.0
161.02391	0.6
173.04431	0.3
178.02533	0.2
179.03366	0.3
191.05577	12.6
192.05959	0.5
209.11943	0.2
233.06638	1.1
299.01929	0.3
302.71158	0.2
315.23132	0.3
323.09833	0.3
331.19312	0.4
439.32388	0.8
453.33844	0.9
454.34109	0.3
467.32108	0.3
469.33319	1.0
471.28189	0.4
471.34891	7.3
471.41412	0.5
472.35178	1.2
499.34262	1.5
515.33746	0.9
527.33624	0.4
553.35834	1.4
562.93195	0.3
567.36902	3.2
568.37671	0.4
585.38025	1.3
586.38953	0.2
587.36359	0.3
588.09045	0.2
752.34052	0.3
911.46649	100.0
912.46997	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01768	1.4
68.99687	0.6
71.01276	16.8
71.57550	0.5
72.99205	3.5
73.02847	3.3
75.00774	3.2
83.01283	3.5
85.02840	12.1
85.99975	2.0
87.00772	12.8
89.02340	9.0
89.37348	0.5
95.01282	4.2
96.95898	1.1
99.00786	3.6
101.02358	5.7
111.00764	4.2
112.01559	1.1
113.02360	11.9
129.01865	0.7
131.03430	23.8
132.03705	0.6
135.04449	0.4
139.00331	3.1
149.04474	3.9
157.01370	1.2
163.16722	0.4
179.03352	0.5
191.05574	13.0
191.97449	0.4
223.12685	0.5
229.92097	0.4
233.06726	0.7
453.34146	2.3
469.33231	0.7
471.34946	6.5
472.34897	1.1
499.34366	1.4
515.33740	1.0
527.33643	0.8
554.35779	0.5
567.37158	3.2
568.37347	0.6
585.38098	1.5
700.20953	0.5
911.46692	100.0
912.46930	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	911.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
67.69973	0.4
68.99716	0.7
69.03347	0.7
69.83643	1.2
69.84045	2.9
71.01271	100.0
71.04901	0.7
72.01616	1.5
72.99199	7.1
73.02836	18.2
75.00771	1.6
81.03350	1.1
83.01279	10.0
85.02846	34.1
85.99992	0.7
86.03175	1.0
87.00771	7.2
89.02341	81.5
93.03375	1.1
95.01283	8.3
96.95895	0.8
97.02854	2.9
97.06492	25.5
98.06815	0.8
99.00785	6.7
101.02348	66.9
102.02654	1.3
107.04935	1.2
109.02866	0.7
109.06510	1.5
111.00824	1.0
112.01534	0.6
113.02362	46.5
114.02673	0.6
115.03888	0.7
119.03426	31.7
120.03779	0.7
121.02838	0.8
123.47004	0.5
125.02341	2.3
125.09581	0.7
125.28204	0.5
129.01834	1.1
131.03426	7.7
133.02878	0.9
134.03645	1.7
134.29005	0.5
135.04462	1.5
139.00298	1.2
143.02382	0.7
143.03448	12.6
145.02849	0.8
149.02362	1.8
149.04510	5.9
150.03136	2.2
151.11191	1.5
152.01093	0.6
153.01839	0.8
159.02986	2.8
159.04050	0.6
160.01555	0.5
161.02353	1.3
161.04512	24.0
164.04726	0.6
165.05490	2.6
173.04503	1.1
175.02690	0.5
178.02573	0.6
179.05573	39.8
180.04245	0.9
180.05873	1.0
183.19635	0.5
191.05609	6.0
191.07138	1.2
193.05035	1.2
195.06602	4.1
199.60080	0.6
205.03616	0.5
208.03783	1.6
221.06595	0.7
223.06134	3.9
227.03375	0.7
261.22195	1.2
271.02423	1.8
271.16849	1.0
299.02042	4.9
300.02429	1.4
313.03348	0.8
313.16644	48.1
314.03809	0.6
314.16946	3.6
329.17575	1.4
331.19214	23.5
332.19473	2.1
347.18524	0.8
349.20279	33.2
350.20688	2.6
353.08783	0.7
355.17709	52.6
356.17993	5.1
357.15643	1.2
373.20071	1.3
399.16510	1.8
419.13351	1.6
471.34564	0.9
572.02649	0.6
581.18774	0.8
910.88495	1.8
911.47296	13.1
911.90295	0.7
912.46771	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	911.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25336	0.3
68.99704	0.5
69.03335	1.5
69.92008	0.8
69.92419	1.6
71.01270	100.0
71.04906	0.3
72.01603	0.9
72.99202	4.5
73.02837	21.5
75.00758	1.5
81.03349	0.6
83.01279	9.2
84.02076	0.8
85.02844	36.1
85.16547	0.4
85.99947	0.5
86.03193	0.9
87.00772	4.5
89.02338	52.0
90.02657	0.7
93.03391	0.4
95.01284	8.4
97.02840	2.9
97.06474	2.1
99.00774	7.9
101.02347	56.3
102.02700	0.9
107.03418	0.4
109.02866	1.9
111.04399	0.5
113.02358	43.0
114.02693	0.8
115.03876	0.5
119.03419	22.3
123.04430	0.4
125.02352	2.4
129.01859	1.6
131.03455	3.5
133.02870	0.7
135.04486	1.0
143.03441	9.7
149.04521	3.1
159.02950	5.8
161.02335	1.0
161.04504	31.6
162.04813	0.9
163.11269	0.5
170.63654	0.4
173.04500	0.9
176.91034	0.5
179.05573	26.6
180.05908	0.6
191.05536	1.8
191.07092	9.9
193.05075	0.3
203.05560	1.0
205.03609	0.8
205.08681	8.0
206.09140	0.6
206.39566	0.3
207.10258	5.2
211.33966	0.5
221.08208	1.2
269.33856	0.4
271.02582	2.2
274.40656	0.4
299.02054	5.8
300.02518	1.0
313.18188	45.8
314.18463	4.1
331.17685	48.4
332.18100	3.2
373.18756	53.0
374.19095	4.4
375.16498	0.8
417.17435	2.5
475.23615	0.8
493.24539	22.5
494.24918	3.1
515.18549	0.4
535.25641	0.5
677.54852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97858	0.7
69.03345	1.1
69.67381	3.7
69.67789	2.1
71.01270	41.0
72.99189	2.9
73.02837	9.7
75.00762	1.3
83.01290	5.9
83.99722	0.7
85.02843	20.7
87.00781	2.2
89.02337	19.0
93.03368	0.8
95.01293	3.4
97.02850	3.4
98.20527	1.8
99.00779	4.8
100.76029	0.8
101.02347	30.0
102.02724	1.2
109.02864	1.5
113.02359	22.1
113.03156	1.3
113.12176	0.8
119.03406	6.9
123.08099	1.3
127.07565	11.4
135.04453	2.6
143.03421	3.2
147.08040	0.9
159.02907	1.1
161.02403	1.8
161.04489	13.9
161.09694	1.1
163.11275	2.6
165.09073	1.0
169.62856	0.8
179.05553	2.2
191.05540	2.1
191.07114	14.9
192.07524	0.7
201.09291	0.8
205.08682	11.4
206.09308	1.8
207.10295	0.9
221.08275	2.2
271.02603	3.4
285.08047	1.0
299.02063	6.8
300.02335	1.1
309.20773	0.8
313.16568	52.8
314.17020	3.8
331.19208	100.0
332.19598	9.9
346.52066	1.0
349.20267	77.9
350.20511	7.2
353.08978	0.9
355.17694	44.8
356.17911	4.2
363.21875	1.3
373.20316	9.1
374.20584	1.1
378.42374	0.9
391.21307	4.2
399.16449	1.3
403.21216	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	0.2
69.26792	0.7
69.27225	0.6
71.01262	1.0
71.04885	0.2
72.70638	0.1
75.00764	0.2
81.03354	0.2
84.02106	0.1
84.55975	0.1
85.02848	1.3
88.98699	0.3
89.02302	0.3
95.01276	0.3
96.95935	0.2
97.02863	0.2
97.06482	0.5
99.00778	0.2
99.71844	0.1
101.02372	0.3
107.04953	0.2
108.02077	0.1
109.02847	0.5
111.00785	0.1
113.02370	1.3
121.02834	0.2
123.00797	0.4
123.04420	0.2
123.08073	1.0
125.02358	0.2
125.09631	0.2
127.03979	0.2
127.07596	0.2
135.04425	0.2
137.02377	1.7
139.00331	0.1
139.03911	0.2
145.06494	0.2
147.08109	2.1
149.02386	0.5
150.03120	0.2
151.00308	3.5
151.03922	0.4
151.07549	0.1
152.01044	0.4
152.04707	0.4
161.04565	0.2
161.05969	0.1
161.09666	1.3
162.03154	0.2
163.03944	0.3
163.11244	2.6
164.04671	0.2
164.11591	0.2
165.01918	0.1
165.05554	0.1
165.09264	0.1
166.02667	10.6
167.03282	0.8
175.03989	0.3
177.01909	0.5
177.05569	0.2
179.03458	0.2
179.07109	0.2
181.05031	10.7
182.05344	0.6
183.08383	0.1
184.03812	0.1
189.05528	0.4
190.06258	0.2
191.05748	0.8
191.07106	19.5
192.04272	0.3
192.07426	1.3
193.05092	0.2
195.06625	0.2
205.08684	14.8
206.09155	1.2
207.06609	0.2
207.10156	0.2
219.06606	0.2
221.08212	1.9
222.08521	0.2
245.15604	0.1
267.16168	0.3
269.19214	1.0
271.06140	0.3
285.18649	0.2
286.08398	0.2
287.20334	0.2
301.10941	0.4
307.70477	0.2
311.16699	0.8
313.18250	0.7
314.11612	0.2
329.14008	0.4
329.17728	0.2
331.19220	100.0
332.19550	10.8
347.18811	0.2
348.19101	0.2
349.20239	2.3
350.20364	0.2
359.11392	0.3
387.10977	2.0
388.11243	0.2
402.13293	1.2
403.13824	0.1
417.15649	13.2
418.16083	1.5
439.90280	0.1
501.35641	0.1
504.52979	0.1
807.35345	0.2
816.36566	0.2
851.38373	0.1
872.89935	0.3
881.39624	0.2
882.38055	0.8
911.47076	0.8
912.48132	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	0.3
70.14989	1.0
71.01250	0.8
72.99214	0.3
81.03320	1.1
82.60726	0.3
85.02830	1.1
87.00726	0.7
89.02309	0.6
93.03353	1.2
95.04906	0.3
97.02824	0.8
97.06503	0.3
99.00766	0.3
99.04441	0.3
101.02336	0.3
104.21396	0.2
109.02847	0.6
113.02322	0.7
115.70441	0.3
121.02221	0.3
121.02878	3.1
122.03659	4.3
123.04434	0.5
123.08048	0.5
129.68491	0.2
131.03413	0.8
133.02806	0.3
134.03642	0.4
135.04393	0.7
135.08015	0.3
136.01591	6.6
137.02342	0.5
146.03673	5.1
147.04356	0.5
147.08070	0.8
149.02382	21.9
150.03178	19.2
151.03960	9.3
151.07558	0.4
159.08049	0.5
161.02345	0.6
161.04738	0.2
161.06010	1.4
161.09650	1.1
162.03070	0.3
163.03941	0.6
163.11261	1.7
164.04741	8.8
165.05524	23.0
166.05858	0.9
173.04485	0.3
173.09633	0.7
179.03499	0.3
179.07091	7.3
180.04242	1.3
180.07439	0.3
187.11218	0.6
189.05522	0.5
189.12822	16.3
190.13170	1.1
191.05573	1.4
191.07097	12.7
192.07442	0.4
195.06599	14.6
196.06972	0.6
205.08684	19.0
206.09055	1.3
207.10208	0.7
221.08182	1.3
243.13896	0.7
268.07465	0.5
269.08255	0.5
269.19141	2.9
271.02579	1.2
280.07553	0.4
283.09760	0.7
297.08115	0.3
299.02103	1.6
300.02676	0.4
312.10098	8.9
313.18161	100.0
314.18521	10.0
314.22195	0.5
327.12442	28.6
328.12744	2.7
329.17722	0.5
331.19217	55.1
332.19543	5.6
342.11255	0.4
349.20233	2.0
357.13467	5.8
357.17484	0.4
358.14157	0.4
375.14551	11.9
376.14951	1.1
708.52496	0.3
754.73383	0.3
911.46582	4.8
912.46130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37627	0.3
70.38000	0.3
71.01269	1.3
71.04896	0.4
72.01600	0.2
72.10027	0.2
72.99178	0.1
73.02837	0.2
75.00758	0.3
79.84322	0.1
81.49969	0.1
83.01279	0.2
85.02834	1.5
87.00780	0.2
89.02336	0.6
93.03354	0.5
95.01258	0.2
96.95902	0.2
97.02846	0.3
99.00766	0.3
101.02332	0.6
108.02055	0.3
109.02879	0.3
113.02354	1.2
119.04955	0.3
121.02908	0.7
122.03642	0.4
123.00735	0.2
123.08090	1.2
124.08412	0.3
127.03926	0.3
131.03413	0.3
134.03653	0.2
135.04399	0.1
136.01596	10.7
137.02312	0.7
137.03397	0.1
139.00188	0.1
147.08073	0.5
149.06023	0.1
150.03134	0.1
151.00337	0.5
151.03946	12.2
152.00887	0.2
152.04309	0.5
159.04396	0.2
160.05214	0.3
161.04567	0.4
162.03125	0.3
163.03967	0.6
164.04590	0.1
166.02682	1.6
167.03017	0.3
173.04410	0.2
177.05441	0.3
181.05026	1.7
182.05354	0.4
189.05516	0.2
189.09158	0.3
191.05626	1.3
191.07101	20.9
192.07500	1.3
195.06604	0.3
205.08681	15.9
206.09181	1.6
207.10251	0.3
213.14867	0.2
221.08202	3.0
261.14957	0.3
269.19278	0.2
271.06204	0.2
286.08444	0.2
301.10916	0.4
302.11343	0.2
309.07828	0.2
311.16681	0.2
327.12390	0.5
329.17603	2.7
329.23312	0.3
330.18015	2.4
331.19205	100.0
332.19559	9.2
339.12531	0.2
342.11240	0.5
347.18671	1.1
348.18945	1.0
349.20230	2.5
357.13519	7.6
358.13995	0.7
383.12369	0.1
387.11029	0.2
389.11472	0.3
395.11472	0.2
403.14319	0.2
404.12979	0.2
417.15561	1.2
418.15979	1.4
419.16385	0.8
431.12216	0.2
814.87622	0.2
820.86139	0.2
821.36993	0.3
821.87524	0.3
844.87500	0.3
880.38885	0.2
880.88318	0.8
881.38373	0.5
910.89630	1.4
911.40918	1.1
911.90625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00208	0.3
67.01794	0.2
69.03362	0.2
70.38318	0.7
71.01263	1.3
71.04929	0.2
72.99187	0.2
73.02823	0.3
75.00793	0.3
75.01218	0.2
78.95807	0.3
79.70964	0.2
81.03349	2.6
82.03722	0.2
83.01266	0.9
85.02844	1.2
85.06480	0.4
87.00761	0.2
87.04413	0.4
88.98705	0.2
89.02340	0.5
93.03359	0.7
95.01299	0.3
95.04930	0.3
96.95928	0.8
97.02845	0.5
99.00814	0.3
101.02356	0.4
101.39618	0.2
107.01355	0.2
107.04924	0.2
108.02087	0.3
109.02914	0.3
109.06489	1.7
111.00751	0.2
111.04427	3.1
113.02374	1.0
113.06020	0.3
119.04928	0.3
119.43021	0.2
121.02886	0.3
121.06552	0.2
122.03669	1.1
123.04430	0.4
123.08070	0.3
125.02370	5.4
127.07611	0.4
134.03691	0.4
135.04439	0.4
139.03902	0.4
143.57001	0.2
149.02382	1.1
149.05878	0.2
150.03088	0.3
151.00327	0.9
151.07590	33.4
152.01109	0.6
152.07950	1.5
153.05461	0.2
161.02350	0.3
162.03195	0.6
163.07619	0.2
165.05536	0.7
167.03487	0.3
173.04509	0.4
175.00313	0.5
177.05518	1.3
179.03423	0.4
179.07108	1.1
191.05569	1.1
191.07130	2.7
194.05750	0.4
195.06609	100.0
196.06935	6.0
201.05605	0.3
205.08733	1.4
207.06633	0.6
208.07617	0.2
209.08209	2.3
209.11945	0.4
209.33664	0.2
213.46315	0.2
219.06628	18.1
220.06998	1.1
221.08221	0.4
223.06085	0.3
234.05429	0.3
237.07704	6.9
238.08096	0.5
249.07713	2.1
257.30704	0.2
261.07742	0.3
283.02637	0.3
297.09903	0.6
299.01926	0.3
308.10620	0.2
329.17578	0.9
331.19223	16.8
332.19580	2.2
339.10950	1.2
341.81924	0.2
347.18622	0.3
349.20187	0.8
357.11990	60.4
358.12323	5.4
389.16110	0.3
396.27792	0.2
689.31885	5.0
690.32324	1.6
814.86420	0.3
910.88800	1.0
911.44159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99680	0.2
69.03352	0.8
70.66902	0.1
71.01274	7.9
71.61243	0.3
72.99192	1.4
73.02840	3.0
75.00787	0.3
76.63491	0.2
78.81222	0.2
81.03368	0.4
81.33126	0.2
83.01272	1.7
85.02847	6.8
87.00771	0.6
88.98701	0.6
89.02345	1.4
93.03368	0.9
95.01292	1.8
96.95913	0.7
97.02852	0.7
99.00784	2.0
101.02348	5.1
102.02733	0.1
105.43189	0.2
107.04961	0.2
108.02082	57.3
109.02898	11.7
110.03191	0.4
111.00773	0.3
111.04440	0.2
111.94391	0.2
113.02367	3.6
119.03429	0.2
119.04932	0.8
121.02895	0.8
122.03716	0.2
123.00808	1.4
123.04441	0.9
125.02360	0.7
129.01877	0.3
131.03471	0.4
132.23874	0.1
133.02904	0.5
134.03690	1.2
135.04443	1.5
137.02362	0.4
143.03398	0.4
145.02902	0.5
147.04456	0.2
149.06058	0.3
150.03177	0.2
151.00267	0.3
151.03949	1.4
152.01097	100.0
153.01869	6.5
154.02216	0.2
159.02927	0.4
160.01573	0.2
161.02382	0.3
161.04478	2.0
163.03961	5.8
164.04341	0.2
165.01859	0.3
173.04494	0.5
175.03981	0.5
177.01880	1.3
177.05446	0.2
179.03503	0.9
181.05063	0.2
187.03990	0.2
191.05598	2.4
191.07132	0.4
192.05887	0.3
193.05048	0.7
198.10014	0.1
205.08586	0.2
207.03001	1.2
219.02905	0.2
271.08298	0.7
277.47888	0.2
283.02576	0.3
285.04105	0.2
297.06183	0.9
315.07214	1.5
329.17737	0.2
331.19293	1.4
347.18558	0.2
349.20276	0.4
355.17651	0.2
429.10495	8.4
430.11017	0.8
447.11530	14.2
448.11826	1.3
457.12943	0.2
481.28064	0.2
814.85980	0.2
866.19116	0.2
880.87604	0.5
881.37561	0.3
911.39398	59.2
912.39752	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	911.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00211	0.3
67.01786	0.4
69.03326	0.3
69.80060	0.2
70.35860	0.7
71.00651	0.2
71.01273	4.0
72.01588	0.2
72.99205	0.7
73.02844	0.7
75.00766	1.1
80.14605	0.2
81.03353	2.5
83.01270	1.0
85.02844	4.0
85.06491	0.3
86.03177	0.3
87.00776	0.6
87.04417	0.4
89.02334	1.7
92.39109	0.2
93.03367	0.4
94.79667	0.2
95.01283	1.0
95.04926	0.3
97.02871	0.5
99.00785	1.9
101.02349	0.6
107.01267	0.2
109.02847	0.3
109.06499	1.7
111.00799	1.0
111.04426	2.8
113.02365	2.9
113.05987	0.3
114.02699	0.3
121.02841	0.5
122.03673	1.5
123.04450	0.4
123.08108	0.5
125.02373	5.8
125.03248	0.4
127.07607	0.3
129.01874	0.3
131.03461	0.6
131.18661	0.2
135.04422	0.3
136.01587	0.3
136.69974	0.2
139.00285	0.5
139.03963	0.5
149.02399	1.3
150.03006	0.2
151.00301	0.9
151.04015	0.5
151.07594	33.1
152.01024	0.2
152.07936	1.8
153.05498	0.5
157.01366	0.3
163.04018	0.2
163.07629	0.4
165.05551	0.9
167.03423	0.3
175.00308	0.3
177.05594	0.5
179.03546	0.3
179.07089	0.5
181.04988	0.2
191.05571	1.0
191.07138	2.3
193.04890	0.2
194.05855	0.4
195.06615	100.0
196.06966	5.1
201.05632	0.3
205.08739	1.0
207.06631	0.5
208.07237	0.3
209.08185	1.8
219.06633	16.7
220.07024	1.0
221.08177	0.4
234.05444	0.2
237.07704	6.8
238.07994	0.4
249.07678	2.2
250.07817	0.3
261.07721	0.2
271.06253	0.2
283.02701	0.4
285.04169	0.2
291.11078	0.2
297.09866	0.6
329.17630	0.6
330.18054	0.3
331.19235	12.8
332.19595	1.5
339.10913	1.2
347.18976	0.4
348.18768	0.3
349.20251	0.5
357.12006	60.7
358.12344	5.3
369.73486	0.2
370.18445	0.2
439.32288	0.3
453.34155	0.2
455.73483	0.2
469.33142	0.2
471.35031	1.1
472.35162	0.2
519.17688	0.3
567.36945	0.5
585.38727	0.3
613.46002	0.2
689.31897	7.0
690.32428	1.9
779.42853	0.5
814.87170	1.0
838.87714	0.7
880.39618	0.6
880.89233	5.1
881.39478	1.8
881.88849	0.5
882.40314	0.3
911.46777	11.6
912.47040	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	909.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01776	1.4
69.03340	1.8
71.01273	21.2
71.39445	1.9
72.99213	7.1
73.02831	4.2
75.00771	11.0
83.01273	2.6
85.02845	13.2
85.99972	2.2
87.00770	14.8
89.02342	10.4
93.03347	1.8
95.01287	5.8
96.95905	3.2
97.02840	3.6
99.00771	13.9
103.00314	1.4
111.00781	5.3
112.01532	0.9
113.02362	13.9
114.02708	0.8
123.89250	0.8
125.02448	0.8
129.01855	2.0
130.99806	0.8
131.03430	27.7
133.02864	1.1
135.04428	2.1
139.00310	5.6
149.04485	4.3
150.03181	0.8
157.01389	2.5
161.02361	1.4
163.36823	0.9
173.04419	1.0
179.03433	1.1
191.05576	14.5
191.07162	1.4
195.06657	1.9
199.62953	0.8
220.38873	0.9
298.70300	0.8
299.02002	2.2
313.18185	1.5
423.11575	1.0
439.32007	1.0
453.29504	1.2
457.73526	0.8
467.31662	2.9
468.32227	1.0
469.33325	5.6
471.35419	0.9
497.32904	1.7
565.35382	2.3
583.36908	1.1
802.28558	0.9
909.45209	100.0
910.45514	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	909.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01776	1.4
69.03340	1.8
71.01273	21.2
71.39445	1.9
72.99213	7.1
73.02831	4.2
75.00771	11.0
83.01273	2.6
85.02845	13.2
85.99972	2.2
87.00770	14.8
89.02342	10.4
93.03347	1.8
95.01287	5.8
96.95905	3.2
97.02840	3.6
99.00771	13.9
103.00314	1.4
111.00781	5.3
112.01532	0.9
113.02362	13.9
114.02708	0.8
123.89250	0.8
125.02448	0.8
129.01855	2.0
130.99806	0.8
131.03430	27.7
133.02864	1.1
135.04428	2.1
139.00310	5.6
149.04485	4.3
150.03181	0.8
157.01389	2.5
161.02361	1.4
163.36823	0.9
173.04419	1.0
179.03433	1.1
191.05576	14.5
191.07162	1.4
195.06657	1.9
199.62953	0.8
220.38873	0.9
298.70300	0.8
299.02002	2.2
313.18185	1.5
423.11575	1.0
439.32007	1.0
453.29504	1.2
457.73526	0.8
467.31662	2.9
468.32227	1.0
469.33325	5.6
471.35419	0.9
497.32904	1.7
565.35382	2.3
583.36908	1.1
802.28558	0.9
909.45209	100.0
910.45514	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	909.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03737	0.4
69.93697	2.2
71.01266	1.2
81.03341	0.4
85.02847	1.1
88.98702	0.9
89.02387	0.5
89.03060	0.4
93.03378	0.6
95.04942	0.4
96.95923	1.0
97.06493	0.5
98.20557	0.6
109.02837	0.5
113.02338	1.3
121.02859	1.6
122.03662	2.3
133.02875	0.8
134.03667	2.4
134.04521	0.3
135.04399	0.8
139.07753	0.4
149.02354	2.1
150.03163	7.9
151.63879	0.4
161.02368	1.5
161.09648	0.6
162.03174	83.3
163.03525	3.8
165.05527	8.7
173.04523	0.4
173.09660	0.7
177.05530	68.2
178.05870	3.1
179.03473	0.5
180.04190	0.4
187.11214	0.7
189.12810	16.0
190.13060	0.8
191.05550	1.2
191.07133	3.5
195.06604	5.4
205.08682	9.5
206.09074	0.7
207.10362	0.7
243.13911	1.1
249.05493	0.5
262.06360	0.5
267.06885	0.5
269.19147	1.7
271.02606	3.2
278.05765	1.0
280.10342	0.4
281.08313	0.6
295.06064	0.5
299.02029	6.8
300.02371	0.7
310.08594	0.4
313.18161	100.0
314.18506	9.7
325.10883	3.6
329.17886	0.4
331.18982	0.7
358.10599	0.4
373.13055	2.3
433.15021	1.4
469.98093	0.4
595.20520	0.8
909.43170	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00207	0.4
66.51233	0.1
68.14751	0.2
69.51250	1.3
71.01283	0.4
71.04906	0.5
74.17030	0.1
81.03350	2.6
83.01279	0.6
85.02840	0.2
85.06483	0.3
87.04408	0.4
89.02364	0.2
91.28351	0.2
93.03377	0.3
95.01273	0.3
95.04936	0.2
95.16026	0.1
97.02863	0.5
101.02365	0.2
107.01266	0.2
107.04935	0.3
109.02872	0.2
109.06507	1.6
111.04424	2.7
112.04729	0.2
121.02847	0.2
121.06443	0.2
122.03649	1.0
123.04422	0.5
123.08078	3.7
125.01445	0.3
125.02372	5.9
127.07523	0.3
131.01317	0.2
135.04439	0.2
137.02411	0.3
139.03957	0.4
139.07567	0.2
147.08109	0.2
149.02408	0.8
151.00371	0.7
151.07593	33.4
152.01082	0.3
152.07925	1.3
153.05539	0.4
163.07501	0.2
165.05548	0.6
167.03429	0.3
175.00359	0.5
177.05603	0.7
179.03416	0.2
179.07089	0.5
189.09145	0.2
191.05499	0.3
191.07112	2.9
192.07462	0.1
193.08667	0.2
194.05774	0.4
195.06612	100.0
196.06955	4.7
201.05595	0.3
205.08693	2.2
207.06584	0.6
208.07518	0.3
209.08206	2.1
219.06633	17.0
220.06979	1.0
221.08157	0.6
234.05348	0.2
237.07700	7.0
238.08084	0.4
249.07709	1.7
261.07678	0.3
283.02423	0.2
285.18747	0.2
297.10010	0.3
303.19644	0.2
327.12448	0.3
329.17651	25.1
330.18088	2.1
339.10919	1.6
347.18759	1.6
357.11996	43.7
358.12314	3.6
365.74014	0.2
687.30365	8.5
688.30573	1.6
836.86664	0.3
837.37769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.285
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02296	0.5
63.03576	0.1
65.00199	0.8
71.01266	0.3
71.59296	0.1
79.01760	0.1
80.87469	0.1
81.03349	0.1
83.01286	0.4
85.02847	0.2
87.00784	0.2
89.00216	0.1
89.02348	0.3
91.56822	0.1
93.03323	0.2
96.95907	0.5
101.02343	0.2
107.01295	1.1
109.02870	0.9
113.02357	0.2
117.03364	0.2
119.04939	0.1
121.02895	0.4
122.03637	0.2
123.00871	0.2
129.32878	0.1
131.03604	0.1
133.02876	3.0
134.03618	0.2
135.00789	0.3
135.04402	0.4
143.04961	1.1
145.02881	0.4
147.00735	0.4
147.04491	0.4
149.02365	0.4
150.03181	0.8
151.00327	1.4
155.04970	0.5
157.02864	0.8
159.04431	0.4
161.02405	2.6
162.03177	8.1
163.03610	0.3
165.05504	0.8
169.01407	0.2
169.02940	0.2
171.04482	2.4
172.04805	0.1
173.02397	0.4
173.04536	0.2
173.09712	0.1
175.00360	0.1
175.03987	1.4
177.05533	6.0
178.99846	0.3
179.03442	0.4
182.03705	0.2
183.04485	0.7
187.04022	1.0
189.02023	0.2
189.05484	0.3
189.12798	1.8
191.05574	0.7
191.07097	0.3
195.06598	0.4
197.02409	0.5
198.03119	0.8
199.03995	6.1
200.04274	0.3
201.01901	2.0
203.03484	0.6
205.08684	0.9
213.01927	0.2
214.02734	0.3
215.03481	2.4
225.01990	0.3
226.02710	1.2
227.03506	3.4
228.03802	0.3
231.02898	0.1
242.02184	0.9
243.03026	4.1
244.03452	0.2
255.03052	1.1
270.01675	0.2
271.02539	41.1
272.02914	2.6
282.01746	0.4
299.02036	100.0
300.02405	7.3
301.03632	0.9
313.03546	0.4
313.18170	9.1
314.18536	0.5
325.10873	0.3
353.08841	0.1
498.40320	0.2
577.78949	0.1
609.26056	0.3
651.71039	0.2
732.41339	0.1
791.28339	0.1
897.51288	0.2
909.45544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.285
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02296	0.5
63.03576	0.1
65.00199	0.8
71.01266	0.3
71.59296	0.1
79.01760	0.1
80.87469	0.1
81.03349	0.1
83.01286	0.4
85.02847	0.2
87.00784	0.2
89.00216	0.1
89.02348	0.3
91.56822	0.1
93.03323	0.2
96.95907	0.5
101.02343	0.2
107.01295	1.1
109.02870	0.9
113.02357	0.2
117.03364	0.2
119.04939	0.1
121.02895	0.4
122.03637	0.2
123.00871	0.2
129.32878	0.1
131.03604	0.1
133.02876	3.0
134.03618	0.2
135.00789	0.3
135.04402	0.4
143.04961	1.1
145.02881	0.4
147.00735	0.4
147.04491	0.4
149.02365	0.4
150.03181	0.8
151.00327	1.4
155.04970	0.5
157.02864	0.8
159.04431	0.4
161.02405	2.6
162.03177	8.1
163.03610	0.3
165.05504	0.8
169.01407	0.2
169.02940	0.2
171.04482	2.4
172.04805	0.1
173.02397	0.4
173.04536	0.2
173.09712	0.1
175.00360	0.1
175.03987	1.4
177.05533	6.0
178.99846	0.3
179.03442	0.4
182.03705	0.2
183.04485	0.7
187.04022	1.0
189.02023	0.2
189.05484	0.3
189.12798	1.8
191.05574	0.7
191.07097	0.3
195.06598	0.4
197.02409	0.5
198.03119	0.8
199.03995	6.1
200.04274	0.3
201.01901	2.0
203.03484	0.6
205.08684	0.9
213.01927	0.2
214.02734	0.3
215.03481	2.4
225.01990	0.3
226.02710	1.2
227.03506	3.4
228.03802	0.3
231.02898	0.1
242.02184	0.9
243.03026	4.1
244.03452	0.2
255.03052	1.1
270.01675	0.2
271.02539	41.1
272.02914	2.6
282.01746	0.4
299.02036	100.0
300.02405	7.3
301.03632	0.9
313.03546	0.4
313.18170	9.1
314.18536	0.5
325.10873	0.3
353.08841	0.1
498.40320	0.2
577.78949	0.1
609.26056	0.3
651.71039	0.2
732.41339	0.1
791.28339	0.1
897.51288	0.2
909.45544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52386	35.9
101.06006	100.0
102.06333	30.7
117.28990	13.2
139.60347	13.6
153.64746	13.0
153.66020	16.9
155.16632	12.6
191.05501	31.5
654.35645	16.2
908.84448	15.8
926.43018	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	909.176
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02270	0.7
65.00194	0.7
69.47395	0.7
71.01262	0.4
75.36636	0.1
79.68879	0.1
83.01284	0.3
85.02833	0.3
85.56027	0.1
87.00767	0.2
89.00218	0.2
91.01772	0.1
92.51315	0.1
93.03336	0.3
94.10455	0.1
95.01275	0.2
96.95905	0.4
98.19762	0.1
101.02325	0.2
101.03920	0.1
107.01295	1.2
107.04981	0.1
108.02094	0.1
109.02864	1.3
109.88668	0.1
111.92206	0.1
113.02329	0.2
115.05441	0.2
117.03348	0.2
119.01299	0.2
119.04935	0.3
121.02847	0.2
131.04951	0.2
133.01985	0.2
133.02888	2.3
134.03191	0.1
135.00819	0.4
135.04465	0.1
143.04961	1.0
145.02881	0.3
147.00824	0.4
147.04440	0.2
148.75888	0.1
149.02419	0.1
151.00323	1.6
153.03491	0.1
155.04927	0.4
157.02890	0.7
159.04430	0.3
161.02382	0.4
161.05988	0.1
163.00220	0.1
163.04013	0.3
169.01408	0.1
169.02966	0.1
170.03648	0.2
171.04475	2.5
172.04759	0.2
173.02422	0.6
173.04512	0.3
175.03967	1.4
176.04120	0.1
178.99777	0.2
179.03455	0.2
180.71988	0.1
182.03723	0.2
183.04437	0.4
185.02394	0.3
187.03995	1.1
189.01910	0.1
189.05556	0.2
191.03758	0.2
191.05573	0.8
197.02455	0.6
198.03191	0.7
199.03992	6.1
200.04277	0.3
201.01938	2.0
203.03560	0.5
210.57152	0.1
213.01810	0.2
214.02734	0.2
215.03485	2.7
216.03835	0.2
225.01949	0.3
226.02657	1.2
227.03506	3.4
228.03819	0.2
229.01357	0.2
240.37750	0.1
241.01482	0.3
242.02271	0.8
243.03024	3.9
244.03369	0.3
254.02174	0.1
255.03038	1.7
256.03339	0.2
270.01663	0.2
271.02536	46.8
272.02875	3.4
275.09576	0.1
282.01749	0.3
299.02036	100.0
300.02530	10.8
301.03528	1.4
313.03568	0.3
329.17642	0.3
347.18753	0.3
449.14343	0.1
491.21771	0.2
574.01392	0.1
607.12787	0.1
609.14752	6.9
610.14594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23858	0.9
71.01270	1.4
72.99190	0.1
73.02830	0.2
78.95792	79.0
83.01317	0.1
85.02827	0.4
87.00782	0.1
89.02350	0.8
95.01309	0.1
95.96095	0.1
96.96861	63.4
97.02850	0.4
101.02340	1.2
109.02861	0.1
113.02355	0.7
119.03419	0.5
119.04871	0.1
121.14053	0.1
127.07590	0.8
134.03703	0.1
135.04422	0.2
149.04584	0.1
151.00258	0.2
161.02345	0.1
161.04520	0.1
162.29260	0.1
166.13979	0.1
176.92818	0.1
178.99716	0.1
179.03423	0.2
180.03850	0.1
191.05600	0.8
191.07083	0.1
205.08640	0.1
207.10138	0.1
233.09492	100.0
234.09827	4.5
234.12263	0.2
253.27293	0.1
281.30032	0.1
301.10812	0.1
313.18152	0.6
331.19379	0.5
367.14029	0.1
373.20374	0.2
375.07141	0.1
380.87195	0.1
421.22415	0.1
433.02328	0.1
451.23315	0.2
493.24536	8.2
494.24911	0.9
511.25577	14.8
512.25977	2.1
535.25421	0.4
539.72339	0.1
547.25562	0.2
553.26215	0.4
613.15741	0.1
613.28882	0.2
673.17511	0.1
673.28076	0.1
907.41162	4.6
908.41443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	0.3
71.60709	0.1
78.95795	62.7
85.02843	0.2
87.00772	0.1
89.02333	0.3
93.03358	0.1
95.96107	0.2
96.96866	50.1
97.02837	0.2
101.02361	0.2
102.98508	0.0
103.45707	0.1
109.02866	0.1
113.02351	0.1
119.03436	0.2
119.04947	0.1
125.02415	0.1
127.07559	0.3
135.04497	0.1
137.02393	0.1
146.85487	0.0
149.00034	0.1
150.00882	0.1
161.04497	0.1
163.03951	0.1
173.04510	0.1
179.05585	0.6
191.05595	0.4
191.07138	0.2
203.14354	0.1
205.08752	0.2
207.04211	0.1
221.06628	0.1
223.09793	0.1
233.09499	100.0
234.09831	4.1
243.05173	0.4
272.60028	0.0
313.18088	0.3
323.09918	0.1
331.15271	0.1
331.19244	1.6
332.19583	0.2
349.20282	4.9
350.20663	0.4
391.10263	0.1
442.60025	0.0
511.25415	0.1
515.90607	0.1
557.20160	0.4
583.30719	0.1
673.30780	0.1
859.57745	0.1
907.41241	2.8
908.41638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.516
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01283	0.6
78.95794	7.8
79.43700	0.4
96.95881	0.5
96.96909	0.3
109.92728	0.3
122.00085	0.4
133.02876	0.5
140.01123	2.7
147.83839	0.4
152.99529	1.1
173.04539	0.5
182.20367	0.3
191.05568	1.1
196.03757	1.5
214.04845	3.4
221.85959	0.4
259.20593	0.5
275.20258	0.6
277.21790	100.0
278.22147	8.1
278.25040	0.7
473.29465	0.4
474.26352	68.6
475.26688	7.5
519.22528	0.3
531.72980	0.3
553.64709	0.4
618.51343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09930	0.1
69.03365	0.1
69.46835	0.6
71.01271	2.7
72.99202	0.2
73.02837	1.0
75.00796	0.1
80.21901	0.1
83.01275	0.7
83.79941	0.1
85.02840	1.4
87.00768	0.3
89.02339	0.8
93.03375	0.1
95.01302	0.3
97.02882	0.1
99.00796	0.5
101.02346	2.4
111.00755	0.1
113.02361	0.9
119.03454	0.1
119.04961	0.1
121.02874	0.4
121.06584	0.1
122.03667	0.2
125.02307	0.2
134.03662	0.1
135.04417	0.1
143.03438	0.2
147.04474	0.9
147.11751	0.2
148.05241	89.8
149.05568	3.8
159.02933	0.1
161.04510	0.5
163.07599	100.0
164.07924	4.4
164.09338	0.1
173.04561	0.2
179.95723	0.1
185.29521	0.1
188.08395	0.5
189.09163	0.3
191.05573	0.4
193.05042	0.1
203.05598	0.3
249.15045	0.3
261.15097	0.2
289.21597	0.1
315.19675	0.1
329.17786	0.1
331.18961	0.2
333.20624	0.2
351.21930	0.1
367.14066	2.4
368.14600	0.2
379.21210	0.1
411.20374	3.3
412.20572	0.3
423.20331	2.7
424.20538	0.3
451.27069	1.1
459.23773	0.1
470.40805	0.1
477.25052	6.0
478.25354	0.6
495.26129	2.3
496.26279	0.2
719.97540	0.1
720.10852	0.1
835.95313	0.1
847.21259	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27097	0.4
65.34150	0.5
69.59325	1.2
69.59741	2.9
74.13148	0.4
77.96046	0.5
85.02831	0.5
87.00773	1.9
95.18457	0.4
101.05986	100.0
102.06328	2.1
113.02335	0.7
115.07564	2.1
125.02370	0.8
143.03442	0.9
157.66335	0.6
170.06677	0.5
341.10931	0.5
370.70102	0.6
376.99164	0.5
425.17038	0.7
458.48712	0.6
473.20514	0.7
491.21201	3.7
509.22525	5.0
575.27228	1.9
593.28284	16.4
594.28674	1.9
677.33789	5.9
678.34418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.6178
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87167	0.3
65.83479	0.3
69.03344	2.7
71.01248	0.3
71.49765	0.4
71.50111	0.6
83.04916	9.0
99.04418	12.5
100.00404	0.3
100.04766	0.5
101.05985	100.0
102.06306	1.8
165.12799	0.4
206.78969	0.4
209.11861	1.1
255.23320	1.0
275.23880	4.4
299.20276	2.9
301.21790	6.3
302.22113	0.8
312.44629	0.4
317.21323	3.5
318.21802	0.5
319.22876	5.1
335.22263	1.6
355.26413	0.8
359.94553	0.4
370.90201	0.4
397.13309	0.5
399.25504	22.6
400.25760	2.7
401.27103	1.1
402.27350	0.8
403.28629	73.2
404.28937	8.9
468.73331	0.4
501.32349	81.1
502.32660	11.5
503.33127	0.8
567.98169	0.4
807.54791	0.4
822.64966	0.4
905.50433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.384
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	0.7
69.67460	0.3
71.01270	21.6
71.57249	0.3
71.57731	0.5
72.01596	0.5
72.99190	1.6
73.02836	21.3
75.00770	0.7
78.95807	0.5
83.01271	6.2
85.02358	0.4
85.02840	5.9
87.00766	1.3
89.02346	4.3
95.01289	1.5
96.95903	1.0
97.02845	1.3
99.00783	1.1
99.04416	0.4
101.02349	16.3
102.02668	0.3
113.02362	7.1
119.03397	1.5
125.02377	0.9
127.07505	0.5
131.03413	1.2
133.02858	0.3
135.04411	0.6
143.03441	1.0
148.05243	10.6
149.04523	0.5
149.05595	0.6
155.03444	0.5
161.02380	0.7
161.04510	2.0
163.07582	3.2
173.04538	0.5
177.05754	0.3
182.80498	0.4
189.12761	0.6
191.05566	1.4
191.07114	4.2
205.08691	3.8
207.10262	0.8
313.18185	3.8
314.18442	0.5
331.19226	1.2
439.32391	1.1
475.23529	2.1
493.24536	13.6
494.24826	1.9
535.25598	100.0
536.25916	15.9
553.26477	6.9
554.26825	0.8
887.38702	1.0
887.88904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00208	0.3
65.03858	0.1
71.01276	2.3
71.59747	0.2
72.99181	0.2
73.02831	0.7
75.00759	0.5
75.02278	0.2
78.95824	0.4
83.01283	0.4
85.02853	0.7
87.00779	0.3
89.02337	3.1
91.01794	7.8
92.02090	0.2
92.02589	0.3
93.03361	21.1
94.03727	0.4
94.04243	0.1
95.01292	0.4
96.96855	0.3
97.02833	0.2
99.00787	1.2
101.02352	1.9
107.04938	1.8
108.02101	0.6
113.02380	1.0
117.03365	0.2
117.29078	0.1
119.01304	3.4
119.03388	0.2
119.04942	0.4
120.01649	0.1
121.02876	10.5
122.03210	0.3
123.04389	0.1
125.02372	0.2
131.03429	0.5
133.02910	0.6
134.03636	0.4
135.04506	0.5
136.01604	0.7
137.02379	41.7
138.02719	1.5
143.03442	0.5
145.02888	0.2
147.04433	0.1
149.02484	0.8
149.04501	2.4
151.03954	100.0
152.03123	0.2
152.04297	3.7
152.33516	0.1
155.03418	0.1
159.04391	0.1
161.02354	0.7
161.04533	0.2
161.05914	0.1
163.03973	0.6
171.03177	0.1
173.04509	0.5
175.03938	0.2
177.05463	0.1
179.03479	1.0
187.03993	0.2
191.03499	0.4
191.05583	1.9
192.05908	0.1
193.05035	0.4
194.05438	0.2
205.05046	0.3
211.07689	0.1
221.06638	0.3
223.07512	0.1
233.04552	0.2
251.07782	0.4
263.05664	2.3
264.05972	0.2
281.06741	17.7
282.07068	1.0
285.04013	0.1
311.09830	0.2
319.08200	0.1
323.07794	16.2
324.08215	1.1
327.08588	0.1
337.09604	0.1
341.08905	0.1
355.10269	0.3
367.06595	0.2
397.14368	0.3
398.14597	0.2
505.26706	4.3
506.27045	0.4
652.18243	0.3
652.68085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.347
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65149	0.3
69.65546	1.2
71.01263	2.2
73.02841	0.6
78.62585	0.2
83.01270	0.4
85.02847	0.7
89.01800	0.2
89.02349	0.7
93.03318	0.3
99.00793	0.2
101.02332	1.4
105.03368	0.3
108.02096	0.2
112.70676	0.2
113.02367	0.8
117.03380	1.1
121.02849	0.4
132.02127	1.2
133.02881	27.3
134.03305	0.9
135.03416	0.4
135.04445	7.6
136.04811	0.2
137.02370	0.5
145.02975	0.2
147.04465	0.4
148.05238	28.7
149.05580	1.4
160.01605	0.2
161.02390	99.6
162.02728	4.0
163.07593	26.4
164.07912	1.5
165.05550	0.2
177.03995	0.2
177.05498	0.3
179.03459	4.9
179.06937	0.2
180.03839	0.3
184.98471	0.2
185.05363	0.2
191.05597	0.4
203.07040	0.3
219.12753	0.2
221.04475	0.4
251.05769	0.2
265.38684	0.2
281.06717	0.4
311.59329	0.2
331.19446	0.3
352.76758	0.2
367.14212	0.4
493.20895	100.0
494.21237	13.5
582.01123	0.2
609.71857	0.2
790.19299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01789	1.5
68.99700	2.5
69.03329	1.3
71.01271	6.8
72.99201	0.9
73.02834	1.0
75.00758	1.0
76.62601	0.2
81.03346	0.5
83.01281	1.3
85.02840	7.3
85.99999	0.5
87.00784	2.3
89.02322	2.2
90.74733	0.3
91.03899	1.7
91.05438	0.7
93.03363	1.0
95.01291	2.4
95.04926	0.3
97.02845	0.9
99.00777	0.4
100.01558	0.4
101.02316	0.8
103.00282	0.3
109.06507	0.3
111.00786	2.3
111.04432	0.7
113.02355	7.7
115.00266	0.3
115.03904	0.3
117.03419	0.4
119.03516	0.3
121.02872	96.4
122.03189	2.6
125.02370	1.1
129.01857	0.9
135.04440	0.9
139.00262	1.3
143.03445	0.3
149.02307	0.3
151.00356	0.3
151.07582	5.2
153.62041	0.3
157.01361	0.9
161.02371	1.0
161.04483	0.3
169.05013	0.7
179.03444	0.4
191.05611	1.2
192.05977	0.3
195.06610	19.1
196.06938	1.0
209.08315	0.4
219.06636	3.1
231.05064	1.8
237.07643	1.7
249.06004	1.9
263.07773	20.8
264.08084	0.9
267.07291	6.5
341.12549	1.1
353.08762	1.3
357.11993	11.9
358.12320	0.8
383.09976	0.9
385.11478	100.0
386.07025	0.6
386.11810	7.8
470.01794	0.3
471.15149	0.5
535.08221	0.3
725.82654	0.3
870.10028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.7
71.01272	26.9
71.57468	0.4
71.57954	0.5
72.01604	0.9
72.99209	2.2
73.02841	3.6
75.00758	0.7
79.19633	0.4
80.02570	1.1
80.96422	0.7
81.03331	1.9
83.01289	2.6
83.04916	5.1
84.02048	1.0
85.02841	6.6
87.00780	5.0
87.04421	0.4
89.02341	18.2
90.02700	0.7
93.03360	1.2
95.01326	2.0
95.04913	1.2
97.02847	3.9
97.06461	0.8
99.00786	1.2
99.04401	0.5
101.02345	16.9
102.02655	0.6
109.02894	0.5
109.06475	0.9
111.00732	0.7
111.04450	0.6
113.02354	10.4
115.87508	0.4
119.03408	4.0
121.02870	0.6
125.02371	7.6
125.05991	0.8
125.09637	2.8
127.03844	0.6
127.11227	4.0
131.03421	1.3
133.04988	0.5
135.08084	0.6
137.09619	0.4
139.03914	0.6
139.11165	0.4
141.01865	0.5
143.03429	3.7
149.04478	0.7
155.10718	1.5
157.76620	0.4
161.04523	4.2
163.11230	4.1
165.09154	1.8
165.12794	2.2
167.03563	0.5
171.10239	6.2
172.10551	1.1
172.94579	0.4
179.05569	4.5
181.12257	0.8
183.10292	0.9
185.04497	0.5
191.05579	2.1
191.10799	0.9
199.09724	1.8
201.11305	81.5
202.11638	5.1
207.10301	1.0
209.11821	100.0
210.12160	5.9
217.07155	1.3
221.06714	2.3
225.11391	2.3
226.11684	1.0
227.12920	11.4
235.08267	6.4
251.12990	0.5
253.09401	0.9
259.08328	1.0
263.07861	0.6
277.21786	66.9
278.22122	7.6
279.22336	0.6
287.07861	2.2
305.08871	2.0
323.10007	1.1
361.11566	0.7
379.12567	10.2
380.12823	1.0
397.13611	54.9
398.13910	4.1
399.13968	1.1
415.14664	13.6
416.14972	1.0
443.31689	0.6
461.32541	0.9
581.24500	3.2
589.25305	2.3
599.25739	3.0
607.26483	2.0
608.26990	0.7
657.34888	1.2
658.35596	0.6
675.36218	4.3
676.36676	1.0
859.47101	0.9
885.47443	1.0
903.48291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	0.2
71.01268	1.4
71.62573	0.2
72.37652	0.2
73.02814	0.2
74.04145	0.2
75.00743	0.5
81.50885	0.2
84.87165	0.2
85.02845	1.5
87.00732	0.2
89.02326	0.3
95.01263	0.3
96.95889	0.5
97.02848	2.2
97.06470	0.3
99.00721	0.2
101.02325	0.6
105.01753	0.2
107.04917	0.2
109.02823	0.3
113.02357	1.6
114.28565	0.2
119.03400	0.3
119.04961	0.2
121.02856	0.3
123.08081	1.3
125.02298	0.3
127.07579	6.7
128.07912	0.2
135.04390	0.3
137.02357	0.3
143.03455	0.3
147.08119	1.0
161.04385	0.3
161.09709	1.1
163.03951	0.3
163.11246	1.4
165.05446	0.5
165.09193	0.4
173.04356	0.2
189.05418	0.3
189.09154	0.3
191.05759	0.9
191.07120	16.2
192.07469	1.0
201.09132	0.5
203.10753	0.6
203.14386	0.8
204.11832	0.2
205.08701	12.4
206.09337	1.2
207.10194	0.7
209.08231	0.2
221.08240	2.1
256.09631	0.2
269.19141	0.9
285.18604	0.3
287.20328	0.4
289.18082	0.2
305.21124	0.3
313.18237	4.2
314.18506	0.3
329.17667	0.3
329.21414	0.6
331.19244	100.0
332.19589	9.5
345.20966	0.4
349.20303	40.4
350.20609	3.5
355.19437	0.3
363.21793	0.8
373.20300	5.2
374.20660	0.6
391.21381	2.7
392.21954	0.3
403.21365	0.3
415.21317	0.3
433.22324	0.3
522.38422	0.2
646.46057	0.2
902.90723	0.4
903.41351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03340	0.2
70.75349	0.4
71.01273	1.2
72.99191	0.2
73.02821	0.4
75.00761	0.4
81.03342	0.2
83.01248	0.3
85.02850	1.3
87.00768	0.3
87.49397	0.2
89.02319	0.2
93.03366	1.0
95.01275	0.5
96.95872	0.2
97.02851	2.3
97.06478	0.3
99.00784	0.1
99.04442	0.2
100.01546	0.3
101.02332	0.7
109.02882	0.7
111.00764	0.2
111.04417	0.4
113.02366	1.5
119.03433	0.2
119.04913	0.7
121.06512	0.3
123.00769	0.2
123.04479	0.3
123.08081	1.4
127.07579	6.6
128.07898	0.3
135.04369	0.2
141.09108	0.2
143.03432	0.2
143.04984	1.1
145.02846	0.3
147.08104	0.5
155.03377	0.2
161.04518	0.3
161.09654	0.3
163.03937	0.6
163.11166	0.2
165.05547	0.8
165.09148	0.5
169.08633	0.4
173.04500	0.4
173.09636	0.2
175.11275	0.1
177.09155	0.2
181.08609	0.2
187.11302	0.2
189.05527	0.2
189.09209	0.3
191.05569	2.6
191.07106	17.5
192.05922	0.2
192.07455	1.1
203.10703	0.2
203.14369	0.9
205.08694	12.5
206.09253	1.3
207.10252	0.9
215.07063	0.2
221.08202	2.3
221.92644	0.2
222.08575	0.2
262.84344	0.1
269.19171	0.7
285.04105	0.3
285.18649	0.3
287.20206	0.3
305.21204	0.2
311.20212	0.2
313.18188	4.5
314.18494	0.4
327.08939	0.3
329.21338	0.5
331.19229	100.0
332.19574	10.6
349.20285	45.0
350.20593	4.5
355.19348	0.6
363.21857	0.7
366.50879	0.1
373.20261	4.1
374.20660	0.5
385.20294	0.2
391.10468	0.5
391.16296	0.3
391.21365	4.3
392.11481	0.2
392.21582	0.7
403.21371	0.3
421.22348	0.2
432.88242	0.1
433.22372	0.2
445.22427	0.2
493.24622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	0.1
69.52715	1.3
71.00967	0.1
71.01277	1.4
71.04881	0.2
73.02813	0.4
75.00740	0.4
81.07104	0.1
83.01251	0.2
83.70175	0.1
85.02832	1.5
89.02319	0.5
93.03307	0.2
95.01276	0.4
96.95893	0.4
97.02846	1.9
97.06491	0.3
99.00771	0.2
100.38688	0.2
101.02341	0.9
107.04906	0.1
109.02833	0.4
113.02355	1.6
119.03368	0.3
121.06492	0.3
123.08070	1.0
125.09662	0.2
127.07572	8.1
128.07860	0.2
135.04453	0.2
143.03444	0.3
145.06471	0.2
147.08098	1.7
159.08134	0.3
159.11700	0.2
161.04539	0.3
161.05916	0.2
161.08624	0.1
161.09695	1.6
161.13399	0.2
163.07585	0.4
163.10022	0.2
163.11249	2.3
165.09109	0.6
173.09776	0.1
175.11276	0.2
179.05629	0.2
187.07568	0.3
189.05545	0.3
189.09164	0.2
191.07109	14.0
192.07484	0.7
201.09178	0.7
202.09839	0.3
203.10773	0.9
203.14326	0.3
204.11282	0.2
205.08687	11.3
206.09352	1.0
207.10236	0.5
221.08157	1.6
229.08704	0.4
256.09454	0.2
269.19196	1.0
283.17117	0.2
285.18802	0.3
287.20309	0.4
309.20917	0.2
313.18182	4.2
314.18378	0.3
314.60373	0.1
329.21222	0.6
331.19226	100.0
332.19568	10.0
345.20569	0.5
349.20288	46.3
350.20599	4.6
355.19434	0.2
363.21848	0.6
373.20294	6.0
374.20688	0.6
385.20425	0.2
391.21353	3.5
392.21741	0.3
403.21451	0.5
415.21826	0.2
421.22540	0.3
433.22546	0.3
493.24503	0.2
663.38824	0.2
681.40991	0.2
902.90552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.477
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39011	0.2
69.53554	1.4
70.61787	0.2
71.01270	1.3
73.02806	0.5
77.10330	0.2
78.95757	0.3
81.03315	0.2
83.01254	0.2
85.02845	1.5
89.02316	0.6
93.03374	0.3
95.01286	0.2
96.95911	1.6
97.02268	0.2
97.02849	2.5
97.06464	0.3
99.00746	0.3
99.04439	0.2
101.02307	0.6
109.02852	0.5
113.02367	1.6
119.28998	0.2
121.06466	0.2
123.08096	1.1
125.02312	0.3
127.07575	5.9
131.03395	0.2
137.02388	0.2
143.03401	0.3
147.08078	0.4
147.79456	0.2
161.09628	0.4
163.03842	0.2
163.11134	0.2
165.05478	0.7
165.09081	0.5
189.09140	0.2
191.05589	1.8
191.07101	18.4
192.07437	0.8
203.14362	0.7
205.08681	13.2
206.09232	1.6
207.10197	0.6
219.10213	0.2
221.08215	2.3
269.19165	0.6
271.17053	0.2
285.18613	0.2
305.21252	0.3
311.20316	0.3
313.10721	0.2
313.14520	0.2
313.18152	4.1
314.18411	0.3
329.21201	0.3
331.19214	100.0
332.19540	9.4
349.20276	39.7
350.20566	3.8
355.19189	0.3
363.21844	0.7
373.12964	0.4
373.20255	3.2
374.20667	0.4
391.21390	2.0
626.33917	0.2
872.88654	0.3
873.38574	0.2
873.88342	0.2
902.89886	0.6
903.40405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	0.2
70.50388	0.3
70.50734	0.2
71.01270	1.8
71.04921	0.2
72.55969	0.1
72.99185	0.2
73.02834	0.8
75.00764	0.5
80.98887	0.1
83.01263	0.3
85.02842	1.5
87.00798	0.2
89.02332	0.4
93.03364	0.4
95.01260	0.2
97.02848	2.2
97.06487	0.4
99.00748	0.2
100.01559	0.3
101.02357	1.1
107.04922	0.2
109.02844	0.4
111.00784	0.2
111.04446	0.3
113.02371	1.7
119.03383	0.5
119.04939	0.4
121.06517	0.3
123.08080	0.9
125.02350	0.2
125.09621	0.1
125.20274	0.1
127.03906	0.2
127.07573	9.2
128.07907	0.2
132.66682	0.1
133.02963	0.1
133.94630	0.1
135.04390	0.2
137.02382	0.1
139.00296	0.1
143.03426	0.3
143.10715	0.4
145.06528	0.3
146.07297	0.2
147.08102	1.4
149.06046	0.2
159.08093	0.2
159.11739	0.3
161.04492	0.3
161.09680	1.7
163.03979	0.3
163.07648	0.4
163.11224	2.0
164.11618	0.1
165.05501	0.1
165.09171	0.5
169.08609	0.3
173.04459	0.2
173.09625	0.2
175.11296	0.3
187.07622	0.3
187.11165	0.1
189.05499	0.2
189.09207	0.4
189.12823	0.1
191.05617	0.9
191.07100	13.5
192.07472	0.8
201.09200	0.9
202.09985	0.2
203.10660	0.9
203.14342	0.6
204.11475	0.3
205.08682	11.1
206.09142	0.9
207.10260	0.7
219.10347	0.2
221.08173	1.6
224.10645	0.2
229.08675	0.4
247.09825	0.2
256.09344	0.1
269.19131	1.0
285.18628	0.3
287.20212	0.6
289.18256	0.1
297.91943	0.1
304.22137	0.1
311.20441	0.2
313.18195	4.0
314.18472	0.2
327.19833	0.2
329.17923	0.2
329.21176	0.7
331.19217	100.0
332.19556	10.8
341.10358	0.5
345.20541	0.6
346.20828	0.2
349.20273	51.4
350.20615	5.3
355.19278	0.3
363.21906	0.9
373.20291	8.2
374.20563	1.1
385.20416	0.4
391.21378	6.2
392.21658	0.8
403.21243	0.8
415.21600	0.3
421.22424	0.4
433.22537	0.5
445.22604	0.3
451.23303	0.3
493.24466	0.5
663.39270	0.5
681.39856	0.3
682.41864	0.1
724.41577	0.1
903.38202	0.3
903.88202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.1
70.74922	2.1
71.01270	29.5
72.99197	2.5
73.02836	6.5
75.00770	1.0
78.81956	0.7
80.96407	1.5
81.03336	1.3
83.01267	2.4
83.04927	1.0
85.02828	9.0
87.00764	6.5
89.02341	20.9
93.03350	1.9
95.01275	3.9
95.04913	3.0
96.95892	1.6
97.02851	5.8
99.00789	1.3
99.04416	1.1
101.02341	21.0
106.04116	0.8
109.02865	0.9
109.06485	3.4
110.03670	1.2
111.00804	0.8
111.04401	1.7
113.02360	12.1
113.03085	1.3
116.92778	0.8
119.03424	5.6
121.02924	0.9
125.02374	9.7
125.09647	1.8
127.11201	3.1
131.03419	0.8
135.04454	0.7
137.09691	0.7
138.16196	0.7
139.07622	0.6
141.01814	0.8
143.03447	4.0
153.09193	1.0
155.10681	0.9
161.04512	6.6
161.09682	1.6
162.98070	0.7
163.11201	5.5
167.03436	0.9
167.10593	0.8
171.10223	100.0
172.10541	5.8
177.01826	0.7
179.05563	7.6
179.10840	1.0
181.12328	2.0
185.11826	1.7
189.09163	2.3
191.05550	1.8
197.11807	2.3
199.06053	0.7
201.11299	10.2
203.05765	0.8
207.10254	14.7
211.13356	0.9
213.11427	1.1
213.65749	0.7
215.12814	0.8
217.07146	1.6
221.06650	3.0
222.11862	0.7
225.11324	49.2
226.11713	3.2
235.08232	7.4
243.12419	5.1
253.09245	1.6
259.08197	1.6
259.20743	1.0
263.07761	0.9
277.21777	75.0
278.22125	7.4
287.07849	2.8
293.21237	1.2
305.08835	2.1
323.09668	1.6
361.11823	0.9
379.12576	16.2
380.12943	1.2
397.13577	45.5
398.13953	4.3
415.14694	12.0
439.14832	1.2
551.23627	6.8
569.24457	5.6
605.24646	5.6
623.25500	9.5
624.26001	1.8
657.35315	2.8
675.36249	3.6
714.98633	0.8
829.45691	1.0
883.46783	9.2
884.47644	2.2
901.47601	3.2
902.39166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99712	0.5
69.03348	1.0
70.38863	0.6
70.39257	1.0
71.01270	20.9
71.04910	1.8
72.99198	1.7
73.02838	3.4
75.00774	0.8
78.49066	0.4
78.59224	0.4
80.96409	0.7
81.03347	1.0
82.45628	0.4
83.01292	2.2
83.04907	0.8
85.02847	4.8
87.00777	4.3
89.02345	11.2
93.03361	0.6
95.01283	1.0
95.04935	1.1
97.02849	5.9
97.06506	1.4
99.00788	13.2
99.04395	0.7
101.02351	13.0
106.06707	0.4
109.02851	0.5
109.06537	1.6
110.03671	0.7
111.04410	0.7
113.02364	6.4
115.03904	0.4
119.03436	3.0
123.04486	0.5
123.08093	1.0
125.02380	4.1
125.09661	5.1
127.11188	1.2
129.01939	0.4
131.03448	0.5
133.05014	0.4
135.08073	1.1
136.05278	0.5
139.04033	0.4
141.01912	0.7
142.02667	1.1
143.03450	1.2
151.11217	0.6
153.12694	0.5
161.04497	2.6
161.09660	0.7
163.11235	8.9
171.10237	11.3
173.04599	0.4
179.05597	1.5
179.10793	1.1
181.12308	15.4
182.12669	1.3
183.10272	0.5
189.09268	0.8
191.05644	2.0
197.11827	1.8
199.09787	0.9
199.13379	16.1
200.13737	0.6
201.11322	2.3
207.10265	36.4
208.10606	1.8
215.12860	0.5
221.06679	3.7
225.11334	56.9
226.11644	2.9
235.08272	2.0
240.31422	0.4
243.12418	17.2
244.12660	0.9
253.09531	0.5
259.08420	0.5
259.20624	0.5
263.07874	0.6
266.06827	0.4
277.21780	30.7
278.22073	3.7
282.56912	0.4
285.16956	0.4
300.27856	0.5
305.08786	0.4
317.16187	0.6
323.09857	0.7
379.12546	2.4
397.13605	12.3
398.13943	0.8
415.14621	3.3
483.31784	0.6
551.23816	0.5
605.24915	3.5
606.25153	0.7
623.25421	5.5
624.26099	0.9
641.27606	0.6
657.35742	0.5
675.36249	0.7
675.55743	0.4
840.20081	0.5
883.47211	11.3
884.47290	4.3
901.48218	100.0
902.48615	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	901.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08842	0.4
67.01761	0.5
67.65641	0.4
69.03336	1.5
69.47671	3.1
70.74519	0.3
71.01271	22.5
71.04926	2.1
71.50333	0.3
71.60256	0.3
72.99200	2.2
73.02838	4.0
73.57185	0.4
74.71164	0.4
75.00791	0.5
79.95627	0.5
80.02541	0.5
80.96419	1.4
81.03342	1.2
83.01293	1.9
83.04916	0.9
85.02849	6.3
87.00766	4.9
89.02345	14.3
90.02688	0.6
93.03367	1.0
95.01294	1.8
95.04918	1.3
95.66965	0.4
97.02854	6.7
97.06496	2.4
99.00782	12.3
99.01435	0.6
101.02354	13.8
109.02881	0.6
109.06510	2.6
110.03661	0.5
111.00769	0.6
111.04408	1.1
113.01624	0.6
113.02357	6.8
116.29881	0.3
119.03424	3.8
121.02932	0.6
121.06498	0.4
123.08089	1.6
125.02364	5.0
125.09653	6.4
127.11240	1.2
131.03441	0.9
133.02908	0.6
135.08134	0.8
136.05139	0.5
137.02417	0.4
137.20998	0.4
139.04007	0.4
141.01918	0.5
142.02658	1.2
143.03430	2.0
149.04478	0.4
153.12733	0.7
155.14427	0.4
161.04486	2.7
161.09663	0.7
163.03979	0.4
163.11237	8.3
171.10226	15.6
172.10596	0.8
173.04533	0.8
179.03539	0.5
179.05574	2.2
179.10722	0.6
181.10791	0.7
181.12311	10.9
182.12663	0.5
185.11749	0.6
189.09186	1.1
191.05559	2.0
197.11841	1.8
199.06049	0.6
199.09787	1.8
199.13383	9.4
200.13715	0.5
201.11322	4.4
207.10260	30.2
208.10561	1.7
209.11896	0.7
215.12901	1.0
217.07199	0.4
221.06628	1.9
223.09618	0.4
225.11337	42.9
226.11646	2.7
229.24120	0.4
233.22466	0.5
235.08223	3.3
243.12419	8.7
244.12836	0.9
253.09261	0.8
275.20309	0.4
277.21790	50.8
278.22101	5.0
287.07739	0.5
296.75287	0.4
305.08841	1.0
317.15985	0.4
323.09848	0.5
374.84912	0.5
379.12485	3.6
386.96185	0.5
397.13605	17.3
398.13937	1.3
415.14709	4.3
507.52222	0.4
551.23578	0.9
597.24048	0.4
605.24695	3.5
623.25592	3.9
624.26685	0.5
675.36145	1.5
757.96600	0.5
825.27838	0.4
857.45929	1.4
883.47211	13.9
884.47540	3.4
901.48193	100.0
902.48602	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.4
71.01277	2.3
71.04910	9.5
71.57579	0.5
72.99188	0.4
73.02814	0.7
75.00747	0.9
80.75021	0.3
81.03343	0.4
83.01262	0.5
83.04900	0.5
85.02847	2.7
89.02320	0.9
89.34226	0.3
93.03348	0.4
95.01274	0.6
96.95887	1.2
97.02856	6.6
97.06454	0.9
100.84782	0.3
101.02303	1.2
107.04890	0.4
108.07870	0.4
109.02873	1.7
109.06483	0.5
111.04399	0.8
113.02354	2.9
113.55430	0.3
121.06494	1.0
121.43464	0.3
123.08080	19.7
124.08407	0.4
127.07571	10.4
133.10170	0.7
135.04443	0.5
145.06389	0.4
145.10150	0.6
147.08081	1.8
159.11754	0.4
161.02394	0.4
161.04588	0.4
161.09673	2.9
163.07562	0.4
163.11244	2.7
165.09135	0.8
169.08730	0.4
170.12700	0.4
175.07600	0.6
175.09749	0.4
175.11191	0.7
177.09122	0.6
179.10757	0.4
187.07596	0.4
189.09169	10.0
190.09512	0.5
191.05743	1.5
191.07109	24.9
192.07446	1.0
195.06464	0.5
201.09138	1.1
201.12856	0.7
203.10771	1.2
205.08678	21.3
206.09108	1.9
207.10246	0.7
209.11725	0.6
215.14241	0.4
217.15933	1.0
219.13893	2.1
221.08214	2.4
229.08751	0.8
231.13885	1.1
243.14101	0.5
245.11853	2.7
259.13260	0.5
260.13980	0.4
261.15002	0.6
263.12906	3.5
269.19107	0.9
275.12994	1.1
285.18723	1.9
287.12888	1.3
287.20447	0.7
293.21335	0.4
303.19803	3.0
313.18161	3.1
327.19730	1.0
329.17657	71.3
330.17953	7.1
331.19226	100.0
332.19595	8.6
343.19226	0.7
345.20944	0.6
347.18713	54.0
348.19025	5.1
349.20279	35.1
350.20566	2.9
353.17816	0.5
355.18997	0.5
361.20416	1.0
363.21912	0.9
371.18729	8.7
372.19141	1.0
373.20319	5.9
374.20508	0.7
389.19791	4.0
390.20224	0.6
391.21402	3.7
401.19620	0.6
403.21466	0.4
413.19720	0.5
491.22922	0.5
902.39484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01264	2.8
71.04520	1.1
71.04906	11.1
71.57722	0.9
73.02844	0.7
75.00758	1.0
81.03374	1.1
81.74258	0.6
83.04926	0.9
85.02826	2.5
89.02326	1.2
95.01249	1.0
96.95906	4.3
97.02842	9.0
97.06509	1.1
101.02345	2.5
107.04946	0.9
109.02857	2.5
111.04495	0.8
113.02361	2.6
119.03400	0.8
121.06496	1.7
123.08076	20.5
127.07570	11.9
134.03513	0.8
145.10201	0.9
147.08086	1.4
161.09654	3.3
163.07588	0.9
163.11215	3.0
189.09203	11.4
189.12845	2.8
191.03650	0.7
191.05562	2.5
191.07101	20.8
192.07480	1.3
201.09319	0.9
203.10786	1.4
205.08678	22.5
206.09254	2.1
207.10335	1.4
209.11765	1.6
217.15927	2.6
219.13866	2.1
221.08208	2.4
229.08603	0.8
231.13943	0.8
240.03859	0.7
245.11833	3.6
261.15076	1.5
263.12952	3.8
269.19287	1.5
275.12891	1.1
285.18634	2.1
287.12979	1.9
287.16742	0.8
303.19699	4.2
313.18188	11.8
327.19791	2.2
329.17651	74.8
330.18005	6.5
331.19217	100.0
332.19620	8.6
347.18719	77.6
348.19025	7.7
349.20294	33.0
350.20490	3.5
361.20007	1.0
363.21762	1.1
365.19772	9.4
366.19980	1.3
371.18774	14.4
372.18860	1.6
373.20215	9.0
374.20587	0.8
389.19797	10.0
390.20007	1.1
391.21439	4.8
401.19302	0.9
403.21164	1.3
419.20560	1.3
902.38690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32769	0.3
69.03307	0.3
70.91359	0.8
70.91704	0.3
71.01283	1.3
71.04912	14.1
73.02805	0.8
75.00743	1.1
76.49538	0.3
81.03313	0.3
83.04872	0.5
85.02857	1.8
89.02323	0.5
95.01257	0.5
96.95910	0.5
97.02853	5.6
101.02296	1.1
107.04940	0.8
109.02847	2.1
109.06494	0.6
111.04395	0.7
113.02353	1.8
121.06469	1.0
121.10124	0.4
123.04501	0.3
123.08082	25.8
124.08340	0.8
125.02347	0.4
125.09622	0.4
127.07581	8.7
128.07878	0.3
133.10104	0.9
135.04373	0.3
145.10043	0.5
147.08009	1.2
159.11671	0.3
161.08682	0.3
161.09686	2.8
163.11238	1.8
165.09102	0.5
175.07549	0.9
175.11186	0.5
177.09053	0.7
177.12769	0.4
179.10690	0.6
184.94371	0.3
187.07619	0.4
189.09189	9.9
190.09499	0.4
191.07112	23.0
192.07452	1.3
201.12762	0.7
203.07098	0.5
203.10625	0.9
205.08685	20.8
206.09201	1.6
207.10205	0.6
215.14368	0.3
217.16006	1.3
219.13870	3.0
221.08145	3.5
229.08598	0.7
231.13936	2.2
243.13800	0.4
245.11894	2.8
246.12708	0.3
257.12082	0.4
259.13397	0.9
259.20724	1.0
261.14966	0.4
263.12964	3.3
264.13284	0.3
269.18976	0.7
275.12903	1.1
283.20728	0.4
285.18744	2.1
287.03113	0.3
287.12930	2.0
287.16287	0.6
289.14511	0.6
293.21353	0.4
303.19678	4.1
304.20081	0.4
313.18185	2.8
313.57346	0.3
314.18497	0.4
327.19650	1.3
329.17651	100.0
330.18002	9.7
331.19223	70.3
332.19598	5.9
343.19162	0.5
345.20837	0.5
347.18713	73.6
348.14832	0.4
348.18991	6.9
349.20276	29.9
350.20706	2.6
353.17416	0.3
355.19247	0.5
361.20142	1.8
363.21820	0.4
371.18692	8.5
372.18985	1.0
373.20288	5.5
374.20935	0.5
389.19751	6.9
390.20111	0.8
391.21262	2.2
419.20673	0.4
430.25870	0.3
661.38464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	0.4
69.03348	4.9
69.60979	1.6
71.01273	13.7
71.04916	1.4
72.99202	1.3
73.02840	2.4
75.00775	0.4
78.16260	0.2
81.03349	0.6
83.01283	1.5
83.04922	0.6
85.02853	3.2
87.00770	1.9
89.02342	8.7
93.03361	0.4
95.01296	1.0
97.02855	2.0
97.06510	0.8
98.19764	0.3
98.90266	0.2
99.00794	1.3
99.04425	0.4
99.40622	0.2
101.02352	8.5
108.02071	0.4
109.02856	0.6
111.00819	0.6
111.04440	0.6
113.02353	4.0
114.62373	0.2
114.77845	0.2
115.03912	0.3
119.03405	2.2
123.08070	1.0
125.02368	2.0
125.09658	1.9
131.03470	0.4
135.08145	0.2
137.02353	0.3
137.09688	0.5
141.01866	0.3
143.03464	0.6
149.04494	0.3
149.09656	0.5
151.11241	2.6
153.12817	0.8
161.04536	0.8
161.09668	3.5
162.10097	0.2
169.12300	1.2
179.05522	0.7
179.10741	5.3
191.05617	0.5
197.11824	38.3
198.12192	2.0
221.06651	1.7
223.09628	1.1
235.08295	1.3
241.10867	2.2
253.09351	0.5
259.20764	0.4
275.20239	0.3
277.21802	34.1
278.22131	3.3
397.13644	2.4
415.14487	0.3
621.24323	0.6
688.85480	0.3
726.65289	0.3
785.69751	0.2
881.45764	0.3
899.46710	100.0
900.47083	22.6
900.66125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.3
68.99725	0.3
69.03345	3.9
70.65202	0.7
71.01273	14.5
71.04915	1.4
72.99205	1.7
73.02842	2.5
75.00778	0.4
78.95840	0.2
80.96419	0.5
81.03355	0.7
83.01289	1.5
83.04916	0.4
83.87086	0.2
85.02844	3.7
87.00770	2.4
89.02341	9.4
93.03388	0.4
94.95849	0.3
95.01296	1.0
97.02856	2.1
97.06514	0.5
98.19899	0.3
99.00780	1.2
101.02351	9.0
109.02885	0.4
111.00811	0.3
111.04446	0.6
111.67057	0.3
113.02360	4.0
117.02400	0.2
119.03431	1.8
121.02889	0.3
123.08064	0.9
125.02369	2.1
125.09650	1.9
131.03371	0.4
131.09306	0.2
137.09673	0.4
143.03447	0.8
149.09703	0.5
151.11249	1.9
153.12802	1.4
161.04471	1.3
161.09669	2.5
162.09981	0.3
169.12334	0.8
173.04411	0.3
179.05597	0.8
179.10741	5.3
191.05519	1.0
195.10330	0.4
197.11819	58.7
198.12157	2.8
205.08722	0.8
209.11864	0.3
221.06636	2.4
223.09818	2.0
225.00987	0.3
233.22697	0.3
235.08273	1.1
241.10837	4.8
242.11128	0.2
253.09338	0.4
259.20654	0.4
263.07666	0.4
277.21793	21.0
278.22064	1.6
305.08957	0.3
309.20645	0.4
326.10043	0.3
397.13736	3.2
398.13895	0.3
415.14655	0.9
621.24084	0.6
639.25317	1.0
789.87256	0.3
881.45642	1.4
899.46710	100.0
900.47040	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	899.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59793	0.6
69.03345	0.8
71.01272	35.7
71.57211	1.0
72.01615	0.8
72.99178	1.0
73.02834	14.5
75.00793	0.6
78.95777	0.9
83.01279	5.7
83.04906	0.6
85.02846	20.8
85.03362	1.1
87.00775	2.2
88.98711	0.6
89.02329	4.2
95.01280	2.9
96.95905	2.9
97.02866	2.1
99.00786	6.6
101.02344	32.9
102.02697	0.7
109.02855	0.9
113.02357	15.8
119.03439	1.1
123.08090	0.8
125.02365	2.1
129.01872	1.2
131.03471	0.6
133.02863	0.7
135.04451	1.0
136.01610	1.6
143.03458	2.4
148.51309	0.6
150.03174	0.7
151.03926	1.7
152.99529	0.7
159.02940	4.5
161.02487	3.9
161.04494	24.5
162.02765	0.8
162.04793	1.0
165.05446	0.9
165.09125	0.7
166.02589	0.6
173.04492	0.9
177.01921	0.8
179.03429	1.3
191.05560	2.7
195.06732	1.0
205.03447	0.7
209.11900	1.3
231.13927	0.6
260.49896	0.6
297.17108	0.7
299.02023	1.1
315.18195	58.3
316.18478	4.6
329.17627	2.6
330.17831	0.8
331.18723	0.9
334.58017	0.6
335.22665	0.8
347.18674	1.0
348.19046	0.8
355.17688	0.9
356.18103	0.8
357.19260	100.0
358.19586	7.3
359.17169	1.0
372.17981	5.8
373.18167	0.7
375.20474	0.7
401.18268	9.4
403.74734	0.7
479.26758	0.8
495.22052	0.8
496.22961	1.5
497.27792	50.0
498.28104	5.7
499.28119	0.8
541.26837	1.0
819.08588	0.8
890.34601	1.1
890.86023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	0.5
71.01279	1.3
71.04908	14.0
71.57755	0.2
72.05236	0.2
72.99176	0.2
73.02832	1.0
75.00766	0.8
81.03348	0.3
83.01300	0.2
83.04905	0.6
85.02846	1.4
89.02352	0.3
93.03368	0.4
95.01292	0.4
96.95915	0.7
97.02852	6.0
97.06479	0.4
101.02341	0.5
107.04942	0.8
109.02876	1.8
109.06499	0.4
111.04453	0.6
113.02359	1.8
116.92771	1.9
116.97205	0.2
117.01840	0.3
119.03410	0.2
119.96296	0.2
121.06546	1.1
121.10172	0.2
123.08080	28.6
124.08396	1.1
125.02392	0.3
125.09660	0.4
127.07571	3.6
133.10153	1.4
135.04355	0.2
135.08133	0.3
141.59756	0.2
145.10196	0.6
147.08064	0.5
149.02438	0.2
149.09692	0.2
151.03961	0.2
157.10167	0.2
159.08092	0.2
161.09662	2.0
163.03969	0.3
163.07581	0.2
163.11214	0.4
165.05533	0.5
173.09668	0.3
174.06837	0.2
175.07587	1.0
175.11285	0.4
177.09183	0.5
177.12808	0.6
179.10756	0.5
181.08665	0.2
185.09677	0.2
187.07680	0.3
189.09181	11.6
190.09541	0.8
191.05655	0.6
191.07098	15.8
191.14336	0.4
192.07526	0.6
199.11310	0.2
200.00941	0.2
201.12833	0.7
203.07123	0.5
203.10764	0.3
205.08687	15.5
206.09155	1.2
207.10173	0.4
215.14478	0.3
217.12251	0.2
217.15945	0.9
219.10342	0.2
219.13910	2.7
220.14200	0.2
221.08215	2.2
229.08681	0.4
229.15982	0.2
230.09212	0.2
231.13954	1.4
233.15356	0.2
243.13953	0.4
243.17622	0.5
245.11835	2.9
246.11911	0.2
247.25403	0.2
259.13461	0.6
259.20709	0.7
261.15070	0.4
263.12958	3.4
264.13379	0.2
269.15491	0.3
273.15005	0.3
275.12961	1.5
277.14459	0.2
283.20813	0.3
285.18683	1.7
287.12967	2.0
287.16599	0.6
289.14594	0.5
303.19720	3.2
313.18170	0.5
327.19806	1.4
329.17645	100.0
330.17993	9.9
330.23911	0.2
341.17700	0.2
343.19232	0.8
347.18707	56.5
348.19073	5.6
353.17569	0.5
361.20203	1.7
367.10349	0.2
371.18713	9.2
372.18881	1.2
383.18808	0.2
389.19800	5.7
390.20032	0.6
399.73239	0.2
419.21313	0.2
443.20596	0.2
899.48578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	0.7
69.18491	0.3
69.69051	1.1
71.01268	1.6
71.04906	14.6
73.02808	0.6
75.00733	1.0
75.01091	0.2
81.03317	0.4
83.04891	0.7
84.63383	0.2
85.02831	1.4
89.02332	0.5
93.03311	0.5
95.04873	0.3
97.02264	0.4
97.02853	6.7
97.06459	0.4
99.04414	0.3
100.01555	0.4
101.02378	1.2
101.02944	0.2
103.48660	0.2
107.04922	0.4
109.02845	1.6
109.06435	0.5
111.04415	1.0
113.02346	1.6
119.03385	0.2
121.06503	1.6
121.73087	0.2
123.08076	27.6
124.08399	1.2
125.02396	0.3
125.09672	0.3
127.06754	0.4
127.07579	4.1
133.10172	1.3
134.47252	0.3
135.04424	0.3
145.10176	0.6
159.08089	0.4
161.02348	0.3
161.04523	0.2
161.06140	0.2
161.09660	2.3
163.03941	0.3
163.11272	0.5
165.05525	0.4
169.08627	0.4
175.07562	1.0
175.11166	0.3
177.09160	0.6
177.12773	0.4
179.05408	0.3
179.10742	0.5
187.11214	0.3
189.09183	13.0
190.09471	0.7
191.05638	0.9
191.07112	13.6
191.14468	0.3
192.07472	0.5
199.11436	0.3
199.14934	0.3
201.12766	1.0
203.07101	0.7
203.10703	0.3
205.08694	13.7
206.09245	0.9
207.10245	0.3
215.14320	0.4
217.15921	1.3
219.13893	2.8
221.08221	2.1
223.36884	0.2
231.13896	1.4
237.29404	0.2
243.14023	0.4
243.17561	0.7
245.11899	3.3
245.15578	0.4
259.13474	0.8
259.20697	0.7
261.14975	0.6
263.12927	3.9
264.13400	0.5
273.15076	0.4
275.12878	1.5
283.20868	0.4
285.18604	1.7
287.12961	2.3
287.16470	0.6
289.14386	0.5
303.19690	3.1
304.20126	0.5
327.19656	1.6
329.17639	100.0
330.17963	10.5
341.17542	0.3
343.19162	1.0
344.19333	0.3
347.18698	68.0
348.19034	7.1
353.18015	0.4
354.18170	0.3
361.20319	2.0
371.18689	12.2
372.19107	1.3
389.19830	8.0
390.19968	1.2
401.19681	0.6
413.19318	0.3
419.21130	0.4
618.14209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01776	0.7
69.03353	2.3
69.41756	4.6
69.42165	0.8
71.01267	40.4
72.01585	0.8
72.99200	4.5
73.02838	9.0
75.00777	1.7
81.03371	0.7
83.01267	4.1
85.02837	11.8
86.00005	1.5
87.00773	15.6
89.02337	31.6
90.02683	1.0
95.01285	4.6
96.95906	2.1
97.02869	4.1
99.00801	2.7
99.04401	0.7
101.02346	30.6
102.02712	0.8
109.02888	1.9
111.00793	2.6
111.04453	0.9
113.02355	19.5
114.02731	0.9
119.03400	7.0
121.02876	0.8
124.01641	0.6
125.02370	9.6
127.03960	0.7
131.03433	9.6
132.03764	0.8
133.02899	2.2
135.04460	2.1
137.02373	0.9
139.00281	1.5
143.03409	4.5
149.04483	1.3
161.02412	1.5
161.04495	7.4
173.04549	0.6
177.52708	0.6
179.03468	2.2
179.05559	9.1
191.05608	4.0
192.05934	0.8
203.05620	1.8
221.06712	5.4
235.08217	3.2
253.09250	1.8
263.07724	1.0
277.09634	0.8
277.21786	16.6
278.22134	1.1
280.71280	0.6
281.04636	1.0
323.09924	1.0
331.19290	0.7
344.68555	0.8
353.08691	0.8
379.12323	2.9
383.12042	1.3
397.13654	8.6
415.14734	5.1
449.12875	0.9
485.15259	2.4
497.11060	1.2
552.38287	0.6
559.18890	100.0
560.19220	11.1
577.19989	30.9
578.20105	3.1
837.41101	9.5
838.42432	3.2
879.33313	1.0
896.47491	6.8
897.30042	1.1
897.47729	21.4
898.48260	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	897.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02268	0.3
65.00208	0.5
71.01266	1.8
71.56366	0.4
72.57302	0.2
72.99174	0.3
73.02819	0.5
81.91016	0.2
83.01279	0.7
85.02848	2.3
87.00742	0.6
89.02338	0.6
93.03363	1.0
95.01291	0.2
96.95898	0.3
99.00775	0.5
100.36031	0.2
101.02371	1.0
101.22795	0.2
107.01286	1.7
108.02071	0.7
109.02865	0.9
111.04450	0.3
113.02353	1.7
115.00292	0.2
119.03336	0.3
121.02877	1.2
125.02424	0.4
129.01849	0.3
133.02863	0.3
134.03662	0.7
135.00835	0.6
135.04465	1.0
137.02377	0.4
139.03899	0.2
145.02864	0.3
148.01628	0.6
149.02374	0.4
150.03171	0.5
150.99136	0.4
151.00311	7.1
152.00990	0.3
153.01852	0.2
156.61142	0.2
159.04422	0.4
161.02376	0.5
161.04523	0.4
163.00313	1.7
164.01114	0.4
165.01886	1.0
165.05489	0.4
169.01401	0.4
173.04515	0.9
178.99834	3.6
179.03468	0.6
180.04239	0.6
183.04584	0.3
183.10213	0.8
187.03967	0.3
191.05573	4.7
193.04982	0.3
195.05029	0.2
195.06622	1.3
203.03487	0.4
207.02977	0.2
211.04013	0.6
215.03531	0.3
216.04288	0.3
226.02711	0.7
227.03534	2.0
229.05031	0.4
239.03421	0.3
243.03049	4.8
244.03654	0.5
245.04590	0.7
249.06155	0.8
254.02277	1.3
255.03023	14.7
256.03421	1.1
267.07333	1.9
271.02536	33.5
272.03018	2.6
273.03894	0.7
283.02493	1.2
299.02075	0.9
300.02823	64.2
301.03534	31.1
302.04016	2.5
316.02280	0.4
329.16058	0.9
347.17227	1.8
353.08878	0.6
389.18311	3.1
390.18787	0.3
433.17065	8.9
434.17484	1.0
463.08920	100.0
464.09241	10.7
465.09259	0.5
479.08145	1.2
543.11414	0.3
601.22888	0.5
633.84235	0.3
649.25482	0.3
735.21747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02298	0.6
65.00225	0.6
65.99395	0.2
69.56010	0.5
69.56424	1.0
71.01263	0.5
71.12788	0.2
83.01292	0.4
85.02842	0.8
87.00780	0.4
89.02312	0.2
93.03371	0.3
96.95912	0.3
99.00780	0.2
107.01299	1.0
109.02852	1.3
113.02338	0.6
115.05434	0.2
119.04960	0.2
121.02915	0.2
127.03909	0.2
131.04968	0.2
132.02072	0.3
133.02882	2.8
134.03680	0.3
135.00792	0.4
135.04434	1.0
143.04974	0.9
145.02881	0.6
147.00816	0.5
147.04440	0.6
151.00322	1.5
151.07590	0.4
155.04895	0.4
157.02895	0.8
159.04425	0.3
161.02380	1.3
169.01422	0.3
171.04459	2.5
173.02429	0.9
175.03967	1.9
178.02536	0.2
179.03433	0.6
182.03555	0.2
183.04492	0.4
187.03914	1.1
189.05574	0.3
191.05577	1.3
191.07047	0.3
193.04961	0.9
195.06642	1.4
197.02435	0.6
198.03183	0.7
199.03992	6.3
200.04283	0.5
201.01895	2.7
203.03497	0.7
214.02737	0.3
215.03477	2.9
216.03712	0.2
225.01880	0.3
226.02695	1.3
227.03500	3.3
229.01494	0.2
241.01517	0.2
242.02205	0.8
243.03000	3.7
244.03304	0.3
255.03137	1.0
271.02536	44.7
272.02847	2.6
282.01874	0.6
299.02026	100.0
300.02390	7.5
300.05267	0.1
301.03354	0.3
331.19250	1.0
354.70407	0.2
553.13751	0.4
553.22821	0.2
581.16547	0.2
878.38489	0.5
878.89063	0.6
879.38416	0.3
879.88361	0.2
896.40363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40829	0.1
69.56096	0.5
69.56518	0.6
75.80132	0.1
78.95795	5.1
81.72691	0.1
110.98434	3.7
130.45613	0.1
140.88994	0.1
152.99524	0.5
167.01080	1.9
185.00482	0.2
185.02148	3.3
185.03683	0.3
242.63055	0.2
245.50903	0.2
261.22253	0.4
279.23337	100.0
280.23691	7.6
284.10242	0.2
331.22980	0.2
353.70236	0.2
447.25244	43.7
448.19391	0.2
448.25577	4.0
448.31461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98407	0.4
65.00193	0.5
65.99112	0.3
69.03291	0.4
69.98557	0.3
71.01251	0.6
71.61657	0.7
81.03350	2.8
83.01261	0.8
85.06495	0.6
87.04373	0.3
95.04903	0.4
104.63708	0.3
107.01307	0.6
109.06514	2.2
111.04448	2.7
122.03655	1.5
125.02380	5.5
126.02726	0.9
149.02370	1.1
151.00365	0.9
151.07596	34.2
152.07941	5.2
153.08141	1.3
165.05486	0.4
166.02675	0.3
167.03479	0.4
172.33766	0.3
179.07219	0.5
189.12852	1.2
191.07111	1.4
195.06613	100.0
196.06953	20.7
197.07123	7.8
198.07416	1.5
205.08760	1.0
206.74405	0.3
206.76416	0.3
208.07385	0.4
209.08195	2.2
210.08490	0.6
219.06635	17.8
220.06998	4.4
221.07253	1.4
237.07713	7.1
238.08029	1.8
239.08342	0.7
249.07780	1.6
261.07779	0.4
283.02548	0.8
284.02939	0.3
284.25809	0.3
297.09909	0.5
313.14456	0.5
313.18170	9.7
314.18527	2.6
315.18771	1.4
317.95810	0.3
331.19006	0.5
339.10980	1.3
357.12000	67.5
358.12326	16.8
359.12585	9.6
360.12885	3.3
480.67349	0.4
671.31049	4.8
672.31134	1.2
673.31030	1.0
674.31396	1.0
679.23938	0.4
896.35620	4.9
897.36359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01763	1.1
68.99704	1.1
69.03333	0.5
71.01272	15.6
72.99197	3.8
73.02836	1.7
75.00764	5.6
83.01278	5.0
84.02056	0.5
85.02845	31.5
86.03165	0.8
87.00766	1.0
89.02343	6.7
91.70683	0.3
93.03367	0.3
95.01286	4.9
97.02862	2.2
99.00787	10.7
101.02344	1.5
111.00076	0.5
111.00794	7.7
112.01525	0.6
113.02360	22.8
114.02682	0.4
119.04928	0.4
129.01863	0.8
131.03436	5.5
135.04398	0.2
135.74748	0.2
139.00294	2.7
143.03461	0.4
149.04552	0.5
157.01389	1.7
173.04503	0.5
191.05627	1.7
193.51181	0.3
267.70187	0.3
287.34094	0.2
317.36792	0.3
321.48273	0.3
377.28000	0.3
385.54877	0.3
407.33017	0.4
437.34296	0.8
439.10934	0.5
447.72192	0.2
453.33789	3.1
454.34259	0.5
455.35416	5.6
456.35706	0.7
483.34863	3.1
484.35391	0.5
497.36261	0.5
511.34457	1.1
512.34692	0.3
523.37958	0.7
537.35870	0.7
551.37585	2.9
552.37878	0.4
569.38617	2.0
631.38751	0.7
877.44537	0.4
895.47180	100.0
896.47479	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44938	0.4
67.01774	1.4
68.99704	1.1
69.03322	0.4
69.65810	1.1
69.66222	2.0
71.01273	15.8
72.99201	5.1
73.02854	2.3
75.00766	4.6
83.01279	4.8
85.02844	12.7
85.99991	1.9
87.00776	10.9
89.02339	9.7
90.02643	0.5
90.87778	0.3
95.01302	4.3
96.95902	0.7
97.02845	2.0
99.00792	5.9
101.02343	4.2
110.13827	0.4
111.00788	6.4
112.01593	0.5
113.02364	10.5
129.01833	1.3
131.03432	20.5
133.71339	0.4
139.00310	3.3
141.01642	0.6
144.38271	0.4
149.04482	3.1
157.01357	0.7
191.05595	9.8
192.05724	0.5
197.61942	0.4
233.06610	0.9
384.31091	0.4
437.34457	1.1
453.33798	2.3
455.35416	5.8
456.35641	1.3
483.34882	3.5
484.34909	0.5
511.34491	0.7
537.36078	2.1
551.37628	3.0
552.37982	0.7
569.38806	1.7
683.41589	0.7
895.47192	100.0
896.47522	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	893.384
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00204	0.6
71.01267	0.7
81.03353	2.8
82.65408	0.3
83.01285	0.7
83.92764	0.3
85.02850	0.3
85.06491	0.7
85.22219	0.3
88.92581	0.3
88.98715	0.3
93.03374	0.5
96.95929	3.5
97.02858	0.4
107.01308	0.6
107.04852	0.3
108.00834	0.3
109.06504	1.9
111.04437	2.8
113.02347	1.0
122.03678	0.8
123.04449	0.4
125.02381	6.3
126.17022	0.3
135.04469	0.6
149.02405	0.9
151.00278	0.7
151.07596	33.1
152.07918	1.3
153.05481	0.4
161.02373	0.4
163.07411	0.3
177.01970	0.5
177.05565	0.6
179.07118	0.6
188.22392	0.3
189.12781	1.4
191.05611	0.8
191.07115	1.2
195.06618	100.0
196.06981	4.2
205.08662	0.8
209.08145	1.4
219.06630	13.4
220.07010	0.6
227.03595	0.6
237.07742	5.0
249.07767	1.4
253.90100	0.3
255.03070	2.0
283.02557	5.0
284.03177	0.8
285.04062	0.5
313.18195	9.5
314.18427	0.8
327.12650	0.6
339.11121	0.7
357.12009	39.9
358.12354	2.7
405.59775	0.4
414.49622	0.4
445.42245	0.3
624.43536	0.4
671.30939	19.4
672.31238	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	893.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00219	0.4
67.01768	0.1
69.52931	0.7
69.53350	0.4
71.01273	0.5
73.41222	0.1
81.03349	2.8
81.83647	0.1
83.01273	0.4
85.02847	0.2
85.06475	0.4
87.00735	0.2
87.04397	0.4
88.03542	0.1
89.02336	0.2
93.03365	0.6
95.04930	0.3
96.95909	0.4
97.02852	0.4
104.23837	0.1
107.01296	0.5
107.01999	0.1
109.02875	0.2
109.06496	1.4
110.06804	0.1
111.04422	2.5
113.06008	0.3
121.02862	0.2
122.03645	1.3
123.04435	0.5
123.08096	0.2
124.01542	0.2
125.01443	0.3
125.02368	5.7
126.02721	0.2
127.07578	0.2
133.02863	0.2
134.03647	0.2
135.04430	0.4
137.02296	0.2
139.03932	0.4
149.02400	0.8
151.00310	1.2
151.07587	32.7
152.01085	0.4
152.07950	1.4
153.05515	0.3
159.04463	0.1
161.02354	0.4
163.07610	0.4
165.05521	0.6
167.03406	0.2
173.04501	0.2
175.00319	0.4
177.05534	0.6
179.03448	0.4
179.07072	0.6
189.12830	1.2
191.05553	1.1
191.07129	1.2
192.05984	0.2
193.08656	0.2
194.05853	0.3
195.06604	100.0
196.06940	4.6
196.08716	0.3
201.05536	0.4
205.08723	0.9
207.06593	0.6
208.07457	0.2
209.08145	2.2
219.06621	18.2
220.07002	0.9
221.08156	0.3
227.03500	0.5
237.07715	7.3
238.07939	0.4
249.07680	2.2
250.07968	0.2
255.02992	1.3
261.07751	0.4
269.19138	0.3
270.01648	0.2
271.02466	0.3
283.02505	2.6
284.03226	0.4
285.04019	0.6
297.10107	0.7
299.01959	0.8
309.07748	0.2
312.10104	0.2
313.18170	11.6
314.18576	1.1
327.12454	0.5
331.19162	0.5
339.10834	1.4
353.08792	0.1
357.11987	65.1
358.12289	4.1
501.15994	0.3
671.30835	4.1
672.31226	0.6
821.85925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01781	0.2
69.03343	11.1
70.03657	0.3
70.72577	0.5
71.01272	2.0
73.02831	0.8
75.00790	0.1
79.01774	2.4
81.03363	0.5
83.01270	0.4
85.02840	1.6
87.00775	0.3
89.02338	0.5
95.01291	1.5
96.95921	0.2
97.02850	6.8
99.00780	0.3
101.02346	1.1
107.01302	7.4
108.02081	19.5
109.02424	0.6
113.02357	1.0
121.02912	0.2
123.00808	2.1
125.02367	14.2
126.02693	0.5
135.00809	37.8
136.01125	1.4
137.02348	0.3
143.03372	0.2
147.04420	0.2
151.00314	2.0
152.01093	62.7
153.01421	1.9
161.04514	0.5
174.27621	0.2
191.05602	0.3
195.06444	0.2
197.06122	0.3
242.05876	1.8
243.06651	100.0
244.06995	6.7
244.09529	0.3
247.28891	0.2
269.08069	0.2
285.07739	1.4
304.72470	0.2
308.50150	0.2
315.18228	1.1
327.08777	0.5
339.07428	0.2
357.19254	0.5
387.10950	4.5
388.11264	0.5
416.82565	0.2
437.18439	0.2
447.13086	2.2
448.13452	0.3
461.85831	0.2
513.65997	0.2
535.25562	0.9
788.31470	0.6
788.81360	0.4
790.60529	0.2
821.36670	0.9
821.86481	0.6
889.24524	0.2
892.85669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50510	1.0
71.01287	0.2
78.95796	6.3
81.39894	0.1
83.04920	0.2
98.61224	0.1
104.97381	0.3
110.98442	4.5
111.49648	0.1
127.07600	0.3
130.51266	0.1
145.58069	0.1
152.99524	0.5
161.02356	0.1
167.01120	1.7
185.02174	3.9
222.68956	0.1
233.22823	0.3
259.20691	0.5
275.20203	0.5
277.21777	100.0
278.22125	9.0
378.75952	0.1
445.23700	50.7
446.24060	5.9
446.30429	0.2
505.54346	0.1
534.09912	0.2
887.70581	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	891.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	1.2
69.56926	2.1
71.01277	1.0
72.86377	0.3
76.57520	0.2
81.03345	2.6
83.01285	0.3
85.02844	0.3
85.06475	0.6
87.04408	0.6
87.15038	0.3
88.26968	0.3
88.98710	0.7
89.02374	0.4
93.03387	0.5
95.04912	0.5
96.95913	2.0
97.02839	0.6
98.20515	0.6
100.55550	0.3
109.02921	0.3
109.06511	2.0
111.04429	2.9
113.06009	0.3
116.92773	0.6
119.04936	0.5
121.02889	0.4
122.03658	1.2
123.04395	0.3
123.08090	0.3
125.02368	5.8
127.07551	0.4
135.04453	0.3
139.03900	0.3
149.02365	1.2
149.24158	0.2
151.00287	0.8
151.07591	32.0
152.01122	0.5
152.07912	1.6
153.05507	0.5
161.02397	0.6
163.07574	0.3
165.05542	0.5
175.00330	0.6
177.05539	0.5
179.07051	0.4
191.05583	1.3
191.07103	0.7
194.05818	0.4
195.06607	100.0
196.06949	5.0
201.05629	0.4
207.06622	0.4
209.08206	2.3
219.06639	18.4
220.06998	1.2
221.08311	0.4
227.03490	0.4
237.07715	6.2
238.07895	0.5
249.07709	2.0
255.02936	0.9
261.07892	0.4
283.02420	2.9
285.04037	0.5
297.09979	0.4
311.16602	9.6
312.16962	0.8
329.17377	0.3
339.10876	1.8
357.11981	50.6
358.08035	0.5
358.12280	4.7
457.95505	0.3
465.24225	0.3
627.57672	0.3
632.65436	0.3
669.29395	7.7
670.29761	1.8
900.49274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.6225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	0.6
69.88190	0.6
70.16756	2.2
91.17997	0.5
99.04422	1.0
108.27787	0.6
150.04169	1.2
171.10242	2.3
191.05489	1.2
250.36974	0.5
277.21802	2.1
336.03946	0.6
343.45142	0.6
397.13593	1.3
417.26721	1.6
430.83127	0.6
466.24615	0.5
471.34930	100.0
472.35333	15.2
473.35687	1.2
594.25201	0.7
626.81085	0.7
782.70154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	1.2
71.01273	17.0
71.28153	0.4
71.37845	0.7
72.99197	1.7
73.02835	2.5
75.00803	0.5
78.95787	0.4
80.96432	0.8
81.03356	0.5
82.68643	0.4
83.01289	1.7
85.02847	4.2
87.00774	4.7
89.02343	13.5
93.03353	0.4
95.01302	1.7
97.02847	2.8
99.00766	1.0
101.02347	12.2
104.33935	0.4
111.04469	0.5
113.02362	6.8
116.92779	1.3
119.03410	4.1
121.02895	0.4
125.02374	7.0
125.09636	0.9
127.11210	1.5
131.03409	0.6
133.04988	0.5
139.03967	0.5
141.01891	0.5
143.03470	2.9
149.04565	0.5
153.09138	0.7
161.04503	3.6
161.53123	0.4
167.03476	1.0
171.10233	100.0
172.10585	3.9
179.05598	3.8
185.11870	0.5
191.05656	0.6
199.05995	0.6
213.11407	0.5
217.07161	1.5
221.06685	0.9
235.08264	6.8
240.11545	0.4
253.09326	0.5
259.08295	1.1
277.21799	69.5
278.22079	4.7
280.14160	0.5
287.07837	1.6
291.23465	1.0
305.08902	2.3
323.09933	1.5
348.51364	0.5
379.12564	16.9
380.12900	1.2
380.65131	0.4
397.13617	46.0
398.13928	3.6
415.14706	7.7
551.23462	3.5
569.24451	3.3
632.59528	0.4
657.35126	2.7
675.35999	3.9
676.36475	0.6
889.47620	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67996	0.3
69.02567	0.4
69.03352	0.9
70.73563	0.3
70.73913	1.1
71.01268	15.9
72.01570	0.4
72.99204	1.6
73.02823	2.5
75.00763	0.4
78.95801	0.7
80.96392	0.6
81.03355	1.0
81.15759	0.3
83.01278	1.9
84.16247	0.4
85.02840	4.3
87.00777	4.4
89.02336	14.1
90.59671	0.3
91.03934	0.5
92.26279	0.3
93.03354	0.5
94.68721	0.3
95.01302	1.2
97.02849	3.0
99.00801	1.1
101.02343	11.9
109.02889	0.5
111.00797	0.5
111.04433	0.8
113.02361	7.1
114.02673	0.5
116.92779	0.6
119.03408	3.3
125.02365	6.7
125.09637	1.3
127.11181	2.0
131.03455	0.6
139.03960	0.7
143.03389	1.9
149.04526	0.6
153.09131	0.6
161.04510	4.5
167.03429	0.7
171.10222	100.0
172.10542	4.7
179.05568	3.3
185.11841	0.5
191.05582	0.7
199.06038	1.0
209.11830	1.3
209.38040	0.4
210.12126	0.5
213.11269	0.5
217.07198	1.5
221.06651	1.5
222.73535	0.4
235.08237	5.2
253.09406	0.8
259.08374	1.0
277.21777	58.7
278.22186	5.1
279.23431	0.8
287.07800	2.4
301.09421	0.5
305.08670	2.0
323.09872	1.3
334.33054	0.4
361.11435	0.5
379.12537	16.1
380.12909	1.4
397.13593	40.9
398.13910	3.3
415.14651	8.0
416.15121	0.7
463.49210	0.4
551.23584	5.5
552.23804	0.7
569.24646	4.8
570.25330	0.5
657.34967	1.5
675.36377	2.0
676.36304	0.6
889.47968	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	1.8
70.88014	2.6
70.88348	1.4
71.01272	86.6
72.99190	3.6
73.02838	31.7
75.00774	1.7
78.95807	3.1
81.03363	2.4
83.01281	12.0
85.02845	37.1
87.00789	3.4
89.02340	17.0
93.03329	2.3
95.01292	5.4
96.95908	2.1
96.96877	2.5
97.02859	4.9
99.00792	12.0
99.04413	1.3
101.02347	61.4
103.03925	4.9
113.02352	33.9
113.03152	1.8
119.03371	5.9
119.04884	1.1
125.02361	8.3
134.03680	2.4
135.04453	2.9
143.03452	5.4
148.05211	4.5
149.04517	1.5
159.02956	6.8
161.02467	2.1
161.04509	41.4
163.03897	1.7
163.06065	6.1
163.07463	2.7
173.04498	1.8
187.11244	2.5
191.05614	7.6
193.05051	3.3
203.05539	1.4
205.03558	1.9
207.65462	1.2
221.06648	1.5
233.09427	1.4
243.05127	2.2
256.11633	1.3
292.53806	1.3
299.02014	1.8
307.10391	8.3
313.16617	2.4
331.17703	85.1
332.18106	6.7
367.10678	1.9
373.18771	100.0
374.19147	9.3
375.16483	2.0
417.17612	2.6
427.19913	3.6
467.05679	1.2
477.14212	1.6
582.97559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86882	1.0
67.01775	1.8
69.03336	2.2
71.01270	100.0
71.60588	1.7
72.01602	2.8
72.99194	6.4
73.02839	65.8
74.49178	1.0
75.00771	5.8
78.95806	1.4
81.03357	1.6
83.01278	26.6
83.24433	1.0
85.02843	66.8
86.03206	1.0
87.00763	6.9
89.02340	23.3
93.03375	2.7
95.01276	11.4
96.95917	5.2
97.02865	4.8
99.00781	13.9
99.04431	3.7
101.02349	92.0
102.02688	1.8
109.02888	1.4
111.00784	5.5
113.02360	66.0
114.02678	2.0
119.03407	9.0
119.04940	1.3
125.02362	4.2
127.03908	5.4
129.01808	1.9
131.03421	13.6
133.02841	1.3
134.03654	1.1
135.04440	2.2
137.02364	2.4
139.00284	3.0
143.03445	12.4
145.05042	1.3
149.04515	14.4
149.80005	1.1
155.03423	3.2
159.02937	4.8
161.02451	1.9
161.04509	44.0
162.04840	1.4
173.04497	3.3
175.04025	1.1
179.03423	2.1
179.05580	2.9
191.05536	8.9
193.05095	2.0
201.14500	1.3
203.05609	3.7
221.06564	6.6
226.98741	1.1
260.10379	1.2
267.07507	1.4
315.14505	2.5
315.18188	49.4
316.18484	2.7
316.44800	1.1
357.19250	55.1
358.19534	5.3
381.22919	2.7
399.23996	22.5
400.24435	1.1
401.18314	4.9
404.87939	1.1
439.23386	3.0
439.32144	1.6
440.23605	2.7
441.24988	54.0
442.25354	4.3
463.22806	5.5
463.72775	3.2
487.34543	7.2
488.34616	2.1
524.90344	1.1
529.13678	2.0
821.36597	27.3
821.86920	15.0
822.36969	4.8
887.38702	52.4
887.88794	44.9
888.39093	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	887.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86882	1.0
67.01775	1.8
69.03336	2.2
71.01270	100.0
71.60588	1.7
72.01602	2.8
72.99194	6.4
73.02839	65.8
74.49178	1.0
75.00771	5.8
78.95806	1.4
81.03357	1.6
83.01278	26.6
83.24433	1.0
85.02843	66.8
86.03206	1.0
87.00763	6.9
89.02340	23.3
93.03375	2.7
95.01276	11.4
96.95917	5.2
97.02865	4.8
99.00781	13.9
99.04431	3.7
101.02349	92.0
102.02688	1.8
109.02888	1.4
111.00784	5.5
113.02360	66.0
114.02678	2.0
119.03407	9.0
119.04940	1.3
125.02362	4.2
127.03908	5.4
129.01808	1.9
131.03421	13.6
133.02841	1.3
134.03654	1.1
135.04440	2.2
137.02364	2.4
139.00284	3.0
143.03445	12.4
145.05042	1.3
149.04515	14.4
149.80005	1.1
155.03423	3.2
159.02937	4.8
161.02451	1.9
161.04509	44.0
162.04840	1.4
173.04497	3.3
175.04025	1.1
179.03423	2.1
179.05580	2.9
191.05536	8.9
193.05095	2.0
201.14500	1.3
203.05609	3.7
221.06564	6.6
226.98741	1.1
260.10379	1.2
267.07507	1.4
315.14505	2.5
315.18188	49.4
316.18484	2.7
316.44800	1.1
357.19250	55.1
358.19534	5.3
381.22919	2.7
399.23996	22.5
400.24435	1.1
401.18314	4.9
404.87939	1.1
439.23386	3.0
439.32144	1.6
440.23605	2.7
441.24988	54.0
442.25354	4.3
463.22806	5.5
463.72775	3.2
487.34543	7.2
488.34616	2.1
524.90344	1.1
529.13678	2.0
821.36597	27.3
821.86920	15.0
822.36969	4.8
887.38702	52.4
887.88794	44.9
888.39093	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	887.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	7.6
65.19701	1.1
65.31361	1.0
71.01267	8.3
71.60283	2.3
72.99194	1.3
73.02824	2.2
85.02836	4.7
87.00758	1.8
89.02316	2.9
93.03327	2.7
95.01309	1.1
96.95919	7.9
101.02350	2.3
105.01823	3.3
111.00774	1.7
113.02322	4.0
113.90876	1.1
116.92746	1.9
121.02814	1.3
133.02879	1.7
135.04485	2.3
136.01578	2.9
143.03462	1.2
146.03642	2.2
147.04482	1.2
149.02379	9.0
150.03186	6.1
151.03958	7.4
161.02353	1.9
161.04539	2.2
163.07562	6.5
164.04716	3.8
165.05533	10.3
173.04488	1.4
179.07071	4.9
181.05060	1.5
189.12758	1.7
191.05504	5.2
191.07091	11.6
195.06610	8.3
205.08630	9.5
206.09152	1.4
236.38174	1.4
297.11331	1.8
312.10092	4.2
313.10556	1.6
313.18179	28.4
314.18460	3.0
315.19696	2.4
327.12466	22.1
331.19208	100.0
332.19489	5.4
333.20682	4.6
349.20224	7.1
357.13211	2.2
361.12848	2.6
363.07465	1.3
375.14444	6.9
421.56329	1.3
495.26035	2.6
511.21002	2.2
621.39941	4.0
638.39160	1.7
639.40485	2.2
887.36475	50.6
888.37250	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	887.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01778	0.6
69.03341	0.2
71.01261	0.7
71.55141	0.2
73.02828	0.2
81.03370	0.4
83.04912	0.3
85.02843	6.1
86.03204	0.1
87.00766	1.7
88.92130	0.1
93.03357	4.6
97.02813	0.1
99.04398	0.4
101.02374	0.2
108.40736	0.1
109.02866	0.8
111.04433	1.5
113.02345	0.2
119.07599	0.1
125.02370	0.2
127.03942	1.9
131.07117	0.1
134.03644	1.5
151.07578	0.5
153.01837	0.1
155.03441	0.3
160.01588	0.3
161.02316	0.2
171.02940	0.5
173.04494	2.5
175.03954	0.3
179.03468	0.2
191.05582	100.0
192.05928	3.4
193.05034	1.2
195.06581	1.4
196.06895	0.2
219.06615	0.3
281.47852	0.1
357.11963	0.7
367.10406	26.3
368.10754	2.4
794.61053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	0.5
65.00204	0.5
69.03339	0.2
71.01278	1.4
71.56214	0.4
72.99187	0.2
75.00787	0.3
78.95784	0.2
79.47889	0.2
81.03345	2.6
83.01277	0.6
85.02846	2.3
85.06486	0.4
85.41965	0.2
87.00811	0.3
89.02329	0.5
93.03371	0.2
95.01291	0.5
95.04892	0.3
96.95905	0.4
97.02851	0.4
99.00748	0.3
101.02316	0.4
107.01303	0.5
109.02911	0.2
109.06489	1.5
111.04426	2.2
113.02356	1.9
122.03647	0.8
123.00783	0.3
123.04452	0.3
124.01545	0.2
125.01463	0.3
125.02373	4.9
127.03931	0.5
127.07542	0.4
131.03436	0.5
133.02922	0.2
135.04410	0.4
139.03961	0.5
143.03461	0.2
147.07957	0.2
149.02405	1.0
151.00328	0.8
151.07590	29.1
152.01048	0.4
152.07948	1.5
153.05527	0.3
161.02350	0.5
163.03940	0.3
163.07564	0.4
165.05516	0.4
167.03391	0.3
175.00333	0.4
177.05540	0.6
179.03493	0.4
179.07042	0.5
191.05588	0.8
191.07133	1.2
194.05798	0.3
195.06606	100.0
196.06953	4.5
201.05664	0.3
205.08778	0.3
207.06596	0.7
209.08192	2.0
219.06624	16.0
220.06979	0.9
221.08153	0.3
236.85768	0.2
237.07703	7.0
238.07977	0.5
249.07692	2.6
261.07755	0.5
271.30765	0.2
277.53122	0.2
279.08954	0.2
297.09952	0.3
299.02097	0.3
318.38724	0.2
323.57501	0.2
331.19223	9.2
332.19522	0.9
339.10898	1.0
357.11984	57.1
358.12317	3.8
389.02811	0.2
420.53128	0.2
439.32346	0.8
440.32562	0.2
519.17322	0.8
689.31897	9.1
690.32062	2.4
735.03192	0.2
748.33209	0.2
821.36188	1.0
821.87012	0.7
851.37561	0.4
887.37677	2.9
887.88843	1.9
888.38031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	0.3
68.78275	0.1
68.99674	0.3
69.03348	1.2
69.46442	0.8
71.01270	16.5
71.04902	0.2
72.01623	0.2
72.99197	1.3
73.02837	2.4
75.00766	0.5
78.95802	0.2
79.95620	0.1
80.02565	1.4
80.96422	0.6
81.03355	2.1
83.01278	2.0
83.04916	5.4
84.02050	0.9
85.02393	0.1
85.02841	3.7
87.00770	3.9
87.04382	0.1
89.02337	12.0
90.02675	0.2
91.03892	0.3
93.03358	0.4
94.97985	0.2
95.01286	1.4
95.04929	1.0
97.02847	2.8
97.06472	0.2
99.00793	0.8
99.04423	0.3
101.02346	12.3
102.02661	0.2
103.00285	0.2
103.03989	0.2
107.04963	0.1
109.02863	0.4
109.06506	0.5
111.00819	0.4
111.04440	0.5
111.08036	0.1
113.02357	6.3
113.05994	0.2
115.03915	0.3
119.03419	3.3
121.02861	0.2
123.00816	0.2
123.04486	0.2
124.01603	0.2
125.02370	5.9
125.05977	0.6
125.09642	0.2
127.03929	0.3
131.03427	0.7
133.02859	0.1
133.04991	0.3
135.08075	0.5
139.03967	0.6
141.01828	0.3
141.89278	0.1
143.03436	2.5
144.73492	0.1
145.04976	0.2
147.11765	0.3
149.04504	0.4
149.09669	0.1
155.03464	0.1
161.04483	2.7
161.09618	0.1
163.11234	4.5
165.12822	2.2
166.13211	0.1
167.03395	0.3
169.05031	0.3
173.04439	0.2
179.03790	0.2
179.05565	3.5
181.05035	0.2
181.12323	0.7
185.04523	0.2
191.05638	0.2
191.10803	1.1
199.06091	0.5
199.13396	0.2
203.05598	0.2
207.10190	0.7
208.10611	0.2
209.11816	100.0
210.12154	5.7
210.14194	0.2
211.13438	0.1
217.07156	0.7
221.06630	1.2
223.13417	0.2
225.11273	0.4
226.11713	0.2
227.12895	11.9
228.13266	0.7
233.11824	0.2
233.22720	0.2
235.08238	5.0
236.08574	0.2
245.06683	0.3
251.12993	0.7
253.09293	0.9
255.23026	0.1
259.08279	0.4
259.20615	0.2
263.07773	0.3
269.06662	0.2
275.20300	0.3
277.21774	46.3
278.19028	0.2
278.22119	4.4
287.07813	1.7
288.08075	0.2
291.23401	0.4
305.08902	1.7
319.23221	0.1
323.09979	1.1
341.11084	0.2
361.11298	0.4
379.12524	6.6
380.12744	0.4
397.13574	35.1
398.13892	2.5
413.17966	0.2
415.14651	8.8
416.14883	0.4
417.47308	0.2
427.19351	0.1
589.25195	0.8
607.26190	1.0
619.07507	0.1
657.34930	0.2
675.36182	0.6
885.48047	1.2
886.47845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13820	0.1
67.90179	0.1
68.99696	0.2
69.03345	0.9
71.01274	14.0
71.04914	0.2
72.01604	0.2
72.99203	1.0
73.02837	2.2
75.00768	0.2
77.39617	0.1
79.01697	0.1
80.02570	1.3
81.03350	2.0
83.01285	1.7
83.04921	5.4
84.02076	0.7
84.05250	0.2
85.02848	3.4
85.99999	0.1
87.00779	3.4
87.04412	0.1
89.02343	10.6
90.02666	0.1
91.03896	0.2
93.03365	0.2
95.01303	1.2
95.04952	0.7
97.02853	2.4
97.06496	0.2
99.00797	0.6
99.04437	0.3
101.02354	9.9
102.02737	0.2
103.00295	0.1
107.04937	0.1
109.02866	0.3
109.06527	0.5
111.00802	0.3
111.04449	0.3
111.08066	0.1
112.01576	0.1
113.02365	6.2
115.03939	0.2
119.03423	2.8
121.02876	0.3
123.04452	0.3
124.01563	0.1
124.73971	0.1
125.02374	5.3
125.06003	0.5
125.09666	0.2
125.92267	0.1
126.02806	0.1
127.03934	0.3
127.07552	0.1
131.03441	0.5
133.04991	0.3
135.08109	0.8
137.02376	0.1
139.03952	0.4
139.07632	0.1
141.01837	0.3
143.03438	2.2
145.05020	0.2
147.11740	0.3
149.04489	0.3
161.04504	3.1
161.09801	0.1
163.11244	3.9
164.11581	0.3
165.12814	2.4
166.13133	0.1
167.03452	0.4
169.04967	0.2
179.05580	3.6
181.05008	0.2
181.12294	0.6
185.04608	0.1
189.12814	0.1
191.05733	0.1
191.10789	0.9
192.11307	0.1
199.06197	0.4
199.13425	0.1
203.05533	0.1
207.10248	0.2
208.10609	0.1
209.11830	100.0
210.12155	5.5
217.07133	0.9
219.05103	0.1
221.06697	1.8
223.13388	0.2
225.11369	0.4
226.11636	0.2
227.12907	10.6
228.13243	0.5
233.11803	0.1
235.08261	4.5
236.08562	0.1
241.75250	0.1
245.06700	0.2
251.12906	0.6
253.09317	0.8
259.08273	0.5
259.20670	0.2
263.07819	0.4
269.06842	0.1
275.20065	0.1
277.21790	41.5
278.22156	3.2
287.07758	1.6
288.08234	0.1
291.23376	0.3
301.09357	0.1
305.08896	1.7
319.23068	0.1
323.09882	1.1
341.11005	0.1
361.11548	0.3
379.12552	6.2
380.12903	0.5
397.13605	29.5
398.13922	2.3
410.09833	0.1
413.18173	0.2
415.14694	7.4
416.15088	0.6
427.20062	0.1
445.23767	0.2
497.20078	0.1
589.25037	0.7
590.26270	0.1
607.26282	1.6
608.26276	0.2
625.26831	0.1
657.35370	0.3
675.36279	0.4
885.47351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98729	0.1
64.45218	0.1
67.01782	0.1
68.99701	0.2
69.03353	0.9
70.19036	0.4
71.01275	15.6
71.04916	0.3
72.01621	0.2
72.99200	1.5
73.02840	2.3
75.00759	0.4
78.95815	0.1
80.02566	1.2
80.96410	0.3
81.03354	1.9
83.00803	0.1
83.01286	1.9
83.04921	5.2
84.02065	1.0
84.05217	0.1
85.02850	3.8
86.03168	0.1
87.00775	3.7
87.04417	0.2
89.02343	11.6
91.03906	0.3
93.03363	0.4
95.01296	1.4
95.04937	0.8
97.02863	2.3
97.06474	0.2
99.00787	1.0
99.04417	0.3
101.02357	11.1
102.02692	0.2
107.04948	0.1
109.02876	0.5
109.06511	0.4
111.00810	0.4
111.04468	0.5
111.08045	0.1
113.02364	6.4
113.06002	0.1
115.03939	0.3
119.03429	2.8
119.04254	0.2
119.80494	0.1
121.02865	0.3
123.00819	0.1
124.01570	0.2
125.02380	5.5
125.06006	0.5
125.09634	0.1
126.02726	0.1
127.03944	0.2
127.07577	0.1
131.03452	0.6
133.05034	0.3
134.82144	0.1
135.08127	0.6
137.02364	0.3
139.03992	0.5
141.01851	0.3
143.03442	2.2
145.05002	0.2
147.11745	0.1
149.04492	0.4
157.05074	0.1
159.29387	0.1
161.04515	3.1
163.04012	0.1
163.11247	4.2
164.11534	0.2
164.98640	0.1
165.12810	2.6
166.13193	0.1
167.03441	0.4
169.04951	0.2
173.04530	0.1
178.22552	0.1
179.05579	3.4
180.05988	0.1
181.12337	0.6
185.04552	0.2
191.05727	0.1
191.10774	1.0
199.06117	0.5
203.05705	0.2
207.10272	0.1
209.11836	100.0
210.12172	5.3
217.07182	0.7
219.05083	0.2
221.06694	1.6
223.13437	0.1
225.11368	0.4
226.11664	0.2
227.12910	11.4
228.13203	0.5
233.11903	0.2
233.22758	0.2
235.08269	4.7
245.06755	0.4
251.12996	0.5
253.09325	0.8
259.08356	0.4
259.20712	0.3
263.07758	0.4
269.06833	0.2
275.20087	0.2
277.21802	45.9
277.63629	0.1
278.22153	4.1
284.28284	0.1
287.07822	1.7
291.23361	0.1
305.08875	1.9
306.09106	0.1
319.22882	0.2
323.09912	1.1
361.11603	0.2
379.12564	6.6
380.12918	0.5
397.13626	35.1
398.13937	2.7
415.14700	8.1
415.18878	0.1
415.20566	0.1
416.15057	0.5
445.23450	0.2
589.25269	0.7
590.25079	0.2
607.26056	1.2
608.26465	0.2
625.26428	0.1
652.19385	0.1
657.35455	0.2
675.36188	0.5
676.36536	0.1
885.48657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98724	2.3
68.16151	0.4
69.03320	0.5
70.71435	0.9
70.71780	0.7
71.01276	2.5
75.00750	1.2
81.03342	0.9
83.01272	0.6
85.02825	1.8
86.23106	0.4
89.02322	0.7
95.01279	0.7
95.04876	0.6
96.95924	6.5
97.02865	8.2
97.06485	0.6
101.02361	0.8
109.02800	0.7
113.02373	3.2
115.75362	0.4
119.03432	0.8
119.04900	0.4
122.03654	1.4
123.08056	1.5
125.02398	0.5
127.07579	8.4
128.07887	0.6
133.06604	0.4
133.10367	0.5
135.04440	0.4
147.08087	0.6
154.99818	0.9
159.08025	0.6
161.04468	0.7
161.09622	0.9
163.11201	0.6
165.05472	0.6
173.01031	0.6
173.09717	0.5
174.72269	0.5
175.07646	0.6
177.09209	0.5
182.10353	0.5
187.11266	0.7
189.12828	16.0
190.13039	0.9
191.05617	1.7
191.07115	17.1
192.07460	0.8
202.13109	0.6
203.14462	1.1
205.08691	22.0
206.09192	1.9
207.10277	2.1
209.11876	0.7
221.08258	2.2
243.13942	0.8
264.60037	0.5
269.19217	3.7
283.17078	1.7
287.20419	0.6
313.18182	83.0
314.18488	7.9
331.19238	100.0
332.19562	10.8
349.20303	35.3
350.20648	3.8
355.19174	2.6
363.21622	0.6
369.31299	0.5
373.20331	5.4
374.20535	0.6
391.21399	1.3
645.53888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	1.4
71.01299	2.9
71.30882	0.9
71.31256	0.5
73.02814	0.7
75.00757	0.7
81.03342	0.5
85.02834	2.0
89.02308	0.9
95.01334	0.6
96.95924	9.1
97.02851	8.8
97.06447	0.8
99.00793	0.6
101.02338	1.4
107.85349	0.6
108.05314	0.5
109.02914	0.6
113.02349	3.3
119.03473	0.6
122.03658	1.1
123.08080	1.0
125.02328	0.8
127.07571	6.3
135.08099	0.6
138.81837	0.5
161.04411	0.9
161.09654	1.8
161.88556	0.4
163.11327	0.5
165.05548	1.1
165.09181	0.5
173.00824	0.7
173.09615	0.8
174.53592	0.6
187.11267	0.9
189.09204	0.6
189.12834	15.7
190.13156	0.8
191.05589	1.8
191.07103	16.2
192.07530	0.5
203.14401	1.4
205.08688	19.9
206.09212	1.7
207.10205	1.8
209.11711	0.7
215.07076	0.5
221.08186	2.3
249.92723	0.5
269.19232	2.8
283.17099	1.7
287.20172	0.6
311.20056	1.1
313.18182	84.4
314.18518	8.6
331.19232	100.0
332.19580	11.0
349.20291	35.1
350.20654	2.7
355.19348	2.7
373.20276	4.7
374.20602	0.6
391.21414	1.3
546.32520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23601	0.5
69.03340	0.5
71.01281	2.9
71.13495	0.4
71.61005	0.7
73.02840	0.5
74.51801	0.4
75.00749	0.6
81.03368	0.7
85.02853	2.2
87.00767	0.5
89.02370	1.1
93.03356	0.8
95.01310	0.5
96.95932	0.8
97.02847	5.8
97.06471	0.5
97.69295	0.5
99.04415	1.1
101.02340	1.8
107.04947	0.8
109.06506	1.1
113.02386	2.4
119.03452	0.6
121.02884	0.5
122.03686	0.8
123.08064	1.1
125.02381	0.6
127.07580	7.3
141.95203	0.4
147.08093	1.4
156.84557	0.5
161.04407	0.6
161.09666	1.8
163.11249	2.7
173.09744	0.5
179.10760	0.5
187.11346	0.8
189.12828	9.8
191.05574	2.5
191.07127	13.6
191.08884	0.8
192.07439	0.6
201.09152	0.6
203.10811	1.0
203.14365	0.9
205.08690	15.5
206.09158	1.5
207.10242	1.5
209.11908	2.6
221.08185	1.1
222.08607	0.5
225.11389	0.6
269.19241	2.5
270.19559	0.5
277.21844	1.6
287.20313	0.6
313.18179	54.4
314.18500	5.8
331.19238	100.0
332.19565	10.9
349.20291	34.8
350.20657	3.9
355.19296	2.0
363.21906	0.8
373.20313	6.5
391.21332	2.3
392.22198	0.5
397.13495	1.8
397.19354	0.5
403.21307	0.7
431.24512	0.9
562.73303	0.5
686.11688	0.6
885.47742	3.4
886.48828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94636	1.0
69.03368	1.5
71.01273	44.3
71.59630	2.1
72.68701	1.1
72.99209	2.2
73.02829	14.5
78.95798	3.3
83.01281	5.1
85.02843	26.6
87.00777	5.0
89.02342	12.9
92.46072	1.1
93.03370	1.2
95.01282	3.7
96.95892	4.0
96.96857	4.3
99.00774	5.2
99.04422	1.7
101.02349	33.8
113.02356	20.4
119.03408	4.4
121.02846	1.3
125.02341	2.4
131.03430	2.3
135.04449	2.3
136.05289	1.6
143.03423	3.5
149.04442	1.5
150.03242	6.1
150.39487	1.3
151.03876	1.1
151.07610	3.1
159.02965	2.4
161.02350	3.2
161.04492	12.1
162.04579	1.2
165.05537	2.6
179.03410	1.9
191.05525	5.2
192.02409	1.1
194.31644	1.5
195.06609	19.9
219.06523	1.4
222.58873	1.4
235.16975	4.0
271.02301	1.3
299.01913	2.0
315.18243	15.3
329.17593	3.7
331.19125	1.2
343.12012	6.3
357.11859	3.7
357.19171	11.2
379.21454	8.4
391.14096	7.8
397.22351	25.0
398.22769	2.4
439.23465	100.0
440.23819	11.5
462.21878	2.5
553.18829	1.7
687.30151	2.1
820.35638	8.0
885.38678	2.7
886.37842	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	885.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94636	1.0
69.03368	1.5
71.01273	44.3
71.59630	2.1
72.68701	1.1
72.99209	2.2
73.02829	14.5
78.95798	3.3
83.01281	5.1
85.02843	26.6
87.00777	5.0
89.02342	12.9
92.46072	1.1
93.03370	1.2
95.01282	3.7
96.95892	4.0
96.96857	4.3
99.00774	5.2
99.04422	1.7
101.02349	33.8
113.02356	20.4
119.03408	4.4
121.02846	1.3
125.02341	2.4
131.03430	2.3
135.04449	2.3
136.05289	1.6
143.03423	3.5
149.04442	1.5
150.03242	6.1
150.39487	1.3
151.03876	1.1
151.07610	3.1
159.02965	2.4
161.02350	3.2
161.04492	12.1
162.04579	1.2
165.05537	2.6
179.03410	1.9
191.05525	5.2
192.02409	1.1
194.31644	1.5
195.06609	19.9
219.06523	1.4
222.58873	1.4
235.16975	4.0
271.02301	1.3
299.01913	2.0
315.18243	15.3
329.17593	3.7
331.19125	1.2
343.12012	6.3
357.11859	3.7
357.19171	11.2
379.21454	8.4
391.14096	7.8
397.22351	25.0
398.22769	2.4
439.23465	100.0
440.23819	11.5
462.21878	2.5
553.18829	1.7
687.30151	2.1
820.35638	8.0
885.38678	2.7
886.37842	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	883.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98722	1.4
63.09889	0.3
68.99744	0.4
69.03347	2.4
71.01276	28.6
72.01651	0.5
72.97436	0.4
72.99197	2.3
73.02836	4.1
75.00793	0.6
80.02573	1.2
80.96413	1.0
81.03347	3.8
83.01279	2.8
83.04914	3.0
84.30687	0.3
85.02845	6.7
87.00771	6.8
89.02342	20.7
93.03372	1.0
95.01285	2.2
95.04925	0.6
97.02858	13.7
97.06512	0.5
99.00778	3.7
99.04458	0.5
101.02352	19.6
102.02700	0.5
106.04180	0.7
107.04955	0.7
109.02844	0.5
109.06508	31.3
110.03667	1.9
110.06837	1.2
111.00805	0.6
111.04459	1.3
113.02361	10.8
115.03943	0.4
119.03435	5.9
121.02901	0.8
121.06490	2.1
123.00710	0.4
123.04461	1.2
124.01593	0.4
125.02378	8.1
125.09652	1.0
127.03871	0.3
129.01875	0.5
131.03452	1.0
133.04967	0.5
133.06525	0.5
135.08092	4.3
136.05261	2.2
139.03958	1.1
141.01877	1.3
142.02650	2.6
143.03448	3.2
145.10173	0.4
149.04506	0.5
151.07579	0.4
153.96515	0.3
161.04510	4.6
161.09662	2.3
163.11247	19.5
164.11610	0.9
167.03453	0.7
174.85785	0.3
179.05576	5.0
179.10722	1.1
181.12328	4.4
185.04417	0.4
189.09178	2.0
191.05588	0.4
199.06114	0.4
207.10275	100.0
208.10609	6.3
209.11826	2.4
217.07219	0.8
219.05165	0.4
221.06659	1.6
225.11345	35.3
226.11734	2.0
235.08260	7.2
236.08595	0.4
243.12433	1.6
249.11449	0.5
253.09344	0.9
259.08377	0.5
259.20575	0.5
263.07761	0.5
263.12988	0.4
277.21802	72.9
278.22137	7.5
281.14154	1.0
287.07712	1.6
291.23419	0.6
299.15134	1.5
305.08951	2.4
321.08261	0.4
323.09842	1.5
379.12482	6.9
380.13208	0.3
397.13617	52.5
398.13947	5.0
415.14713	13.2
415.19171	0.3
416.15057	1.2
441.33746	0.9
485.33054	0.7
587.23438	1.7
588.23901	0.4
605.24573	5.8
606.24579	0.9
623.25433	4.2
624.26135	0.9
657.35516	0.6
675.36737	1.9
711.93573	0.4
745.84875	0.4
865.45953	2.0
883.47162	55.2
884.47382	16.2
884.64984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59859	0.2
61.98717	0.9
68.99704	0.3
69.03339	1.7
69.68982	1.5
71.01273	21.7
71.04906	0.4
71.23409	0.2
71.50966	0.2
72.01580	0.3
72.99197	2.1
73.02849	3.5
75.00763	0.3
80.02579	0.9
80.96401	0.3
81.03356	3.0
83.01273	2.9
83.04925	2.5
84.02066	0.4
85.02843	5.0
85.99947	0.2
87.00777	5.3
87.01277	0.4
89.02342	16.5
90.02658	0.2
93.03373	0.8
95.01292	1.4
95.04948	0.5
97.02856	10.6
97.06513	0.4
99.00790	3.1
99.04440	0.5
101.02352	15.5
102.02725	0.3
106.04173	0.4
107.04935	0.8
109.02864	0.5
109.06506	31.8
110.03646	1.2
110.06818	1.3
111.00804	0.7
111.04440	0.8
113.02363	9.8
114.02705	0.4
115.03931	0.3
119.03422	4.5
121.02854	0.4
121.06537	2.1
123.00816	0.5
123.04465	1.0
124.01672	0.2
125.02376	6.5
125.09666	0.7
127.03951	0.4
129.01863	0.3
131.03424	0.9
133.05031	0.2
135.08105	3.9
136.05243	1.8
137.02405	0.2
137.06105	0.2
139.03944	0.7
141.01869	1.4
142.02673	2.4
143.03462	2.7
145.10182	0.5
149.04535	0.4
151.07568	0.4
159.02950	0.3
161.04523	3.5
161.09683	2.1
162.10069	0.2
163.11243	18.5
164.11592	0.8
165.09149	0.4
167.03445	0.4
169.04985	0.3
179.03329	0.3
179.05588	5.4
179.10730	0.6
181.12308	4.4
182.12680	0.4
189.09187	2.9
191.05611	0.4
191.10800	0.3
197.11815	0.3
199.06021	0.4
201.11424	0.3
207.10262	100.0
208.10587	6.0
209.11826	3.6
210.12166	0.5
217.07141	0.8
221.06714	2.9
225.11337	45.3
226.11687	2.8
227.13049	0.3
231.10139	0.3
235.08267	5.3
243.12379	1.8
245.06728	0.3
249.11313	0.5
253.09315	1.3
259.08264	0.4
259.20480	0.3
263.07770	0.5
267.12457	0.3
277.21799	56.3
278.22122	5.2
281.13965	0.9
287.07809	1.8
299.15063	1.7
301.09546	0.3
305.08978	2.1
321.08316	0.3
323.09915	1.5
341.11273	0.3
379.12567	6.4
380.12793	0.7
397.13611	40.4
398.14029	3.7
415.14682	12.1
416.14996	0.8
441.33978	1.0
443.19321	0.6
461.20474	0.7
485.33237	0.3
587.23608	1.7
588.23871	0.3
605.14734	0.4
605.24646	7.6
606.24951	0.9
623.25702	8.3
624.26044	1.0
657.35272	0.4
675.36517	1.0
703.40710	0.4
786.13940	0.2
825.76984	0.3
865.46033	2.1
866.46790	0.4
883.47180	52.3
884.47406	14.2
884.64954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98724	0.7
69.03364	0.4
71.01276	2.0
71.04912	14.7
71.57874	0.4
72.05260	0.3
72.99208	0.4
73.02864	0.6
75.00797	1.4
76.60896	0.3
81.03365	0.8
83.01292	0.5
83.04949	0.6
85.02858	2.1
89.02372	0.3
93.03364	0.5
94.92445	0.3
95.01311	0.3
95.04948	0.4
96.95909	1.6
97.02850	10.8
97.06499	0.8
97.73316	0.3
99.04456	0.5
101.02376	1.1
107.04979	1.0
109.02869	2.6
109.06512	0.5
111.04459	0.9
113.02367	2.3
121.06550	1.3
122.03694	0.8
123.08082	28.1
124.08498	0.7
127.07564	4.8
133.10187	1.0
135.04520	0.4
145.10207	0.6
146.07256	0.4
147.08147	0.7
150.57173	0.4
159.08070	0.4
161.09637	2.2
163.11227	0.8
173.09741	0.4
175.07605	0.5
175.11188	0.5
179.10809	0.8
187.11287	0.6
189.09190	9.3
189.12814	10.6
189.14497	0.7
190.09451	0.4
190.13219	0.5
191.05588	1.9
191.07109	17.5
191.14268	0.5
192.07506	0.8
201.12781	0.8
203.07123	0.6
203.14334	0.6
205.08684	21.3
206.09146	1.5
207.10236	1.8
215.14340	0.5
217.15941	0.7
219.13837	3.1
221.08217	2.6
231.14011	2.2
243.14006	0.8
245.11917	2.4
259.13425	0.7
259.20758	0.8
261.15021	1.1
263.12970	2.7
269.19196	2.6
275.13022	0.8
281.15421	0.4
283.17090	1.4
283.20529	0.6
285.18625	2.2
287.13068	1.4
287.16653	0.6
287.20129	0.5
303.19714	3.7
304.20053	0.5
313.18170	58.5
314.18515	5.3
327.19681	1.6
329.17651	100.0
330.17996	10.6
331.19217	22.7
332.19644	2.3
343.19287	0.8
347.18713	64.4
348.19067	6.8
354.83200	0.4
355.19327	1.8
361.20337	1.9
371.18732	8.6
372.18958	1.0
373.20181	1.3
389.19806	5.3
390.20032	0.5
457.94659	0.4
501.53763	0.3
612.01794	0.4
703.39978	0.4
897.79498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98724	0.7
69.03364	0.4
71.01276	2.0
71.04912	14.7
71.57874	0.4
72.05260	0.3
72.99208	0.4
73.02864	0.6
75.00797	1.4
76.60896	0.3
81.03365	0.8
83.01292	0.5
83.04949	0.6
85.02858	2.1
89.02372	0.3
93.03364	0.5
94.92445	0.3
95.01311	0.3
95.04948	0.4
96.95909	1.6
97.02850	10.8
97.06499	0.8
97.73316	0.3
99.04456	0.5
101.02376	1.1
107.04979	1.0
109.02869	2.6
109.06512	0.5
111.04459	0.9
113.02367	2.3
121.06550	1.3
122.03694	0.8
123.08082	28.1
124.08498	0.7
127.07564	4.8
133.10187	1.0
135.04520	0.4
145.10207	0.6
146.07256	0.4
147.08147	0.7
150.57173	0.4
159.08070	0.4
161.09637	2.2
163.11227	0.8
173.09741	0.4
175.07605	0.5
175.11188	0.5
179.10809	0.8
187.11287	0.6
189.09190	9.3
189.12814	10.6
189.14497	0.7
190.09451	0.4
190.13219	0.5
191.05588	1.9
191.07109	17.5
191.14268	0.5
192.07506	0.8
201.12781	0.8
203.07123	0.6
203.14334	0.6
205.08684	21.3
206.09146	1.5
207.10236	1.8
215.14340	0.5
217.15941	0.7
219.13837	3.1
221.08217	2.6
231.14011	2.2
243.14006	0.8
245.11917	2.4
259.13425	0.7
259.20758	0.8
261.15021	1.1
263.12970	2.7
269.19196	2.6
275.13022	0.8
281.15421	0.4
283.17090	1.4
283.20529	0.6
285.18625	2.2
287.13068	1.4
287.16653	0.6
287.20129	0.5
303.19714	3.7
304.20053	0.5
313.18170	58.5
314.18515	5.3
327.19681	1.6
329.17651	100.0
330.17996	10.6
331.19217	22.7
332.19644	2.3
343.19287	0.8
347.18713	64.4
348.19067	6.8
354.83200	0.4
355.19327	1.8
361.20337	1.9
371.18732	8.6
372.18958	1.0
373.20181	1.3
389.19806	5.3
390.20032	0.5
457.94659	0.4
501.53763	0.3
612.01794	0.4
703.39978	0.4
897.79498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57082	91.4
77.21569	63.5
78.14614	65.1
78.95793	100.0
135.27386	69.7
156.35750	72.5
169.08914	65.8
184.08163	61.4
184.94170	64.3
228.38330	91.6
454.90662	79.4
881.48706	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96264	0.2
69.82252	1.0
70.45330	0.1
78.60148	0.2
78.95794	53.0
88.26848	0.2
91.98313	0.2
94.78243	0.2
96.95924	0.2
96.96868	6.1
96.97501	0.3
110.98439	0.5
137.31238	0.2
138.56108	0.1
150.97929	2.0
152.99524	100.0
153.99875	1.7
171.00600	4.5
185.02164	0.6
211.13370	0.3
216.74373	0.2
279.23355	18.3
280.23672	1.6
291.19803	0.2
293.21347	0.3
308.57791	0.2
317.59766	0.2
411.51968	0.2
433.23691	43.4
434.24002	5.1
447.25241	8.9
448.25577	1.1
905.96686	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92400	0.8
69.03330	4.0
69.10177	0.9
71.01271	91.2
72.99194	3.4
73.02837	76.0
74.03179	1.6
75.00765	2.1
77.33443	0.9
78.95790	1.8
81.03373	1.3
83.01276	24.4
83.04909	1.2
85.02844	29.5
87.00771	5.8
89.01770	1.0
89.02329	19.3
93.03349	1.1
95.01302	5.4
96.96873	1.4
97.02832	3.1
98.19737	1.5
99.00784	10.8
101.02348	100.0
102.02686	1.2
103.58646	0.9
113.02360	46.5
115.03930	1.1
119.03421	9.4
125.02353	4.8
128.03459	1.2
129.01779	1.4
131.03467	8.6
131.13441	0.9
135.04408	2.6
143.03447	10.0
144.90511	0.9
149.04512	18.9
155.03453	2.3
159.02960	5.0
159.04109	0.9
161.02386	1.9
161.04501	50.9
162.04898	1.5
173.04457	1.2
179.03458	2.4
191.05592	6.5
203.05640	4.9
221.06660	16.1
229.52847	1.6
233.06680	1.1
263.03745	1.0
299.01984	1.2
313.16580	1.8
331.17691	36.8
332.18079	1.6
333.19049	6.0
335.02039	1.7
353.08716	1.1
373.18781	49.7
374.19144	4.4
375.20297	1.1
417.17993	2.0
465.23486	47.2
466.23822	4.9
900.91876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	0.4
69.74434	0.8
69.74848	0.6
71.01274	3.6
73.02841	1.2
78.95799	1.5
83.01266	0.4
85.02837	0.9
87.00784	0.4
89.02343	2.0
93.03363	1.1
96.95938	0.3
96.96879	0.2
98.20539	0.3
99.00755	0.3
101.02352	2.8
106.04171	0.2
109.02882	0.3
111.04431	0.3
113.02392	0.6
117.01851	0.3
117.03406	1.2
119.03451	0.3
119.04945	0.5
121.02878	0.4
121.72626	0.2
123.08100	0.4
131.03409	0.2
132.02092	1.6
133.02899	0.7
133.04994	0.7
134.03670	56.0
135.00827	0.6
135.03949	1.6
137.02393	2.3
139.03960	1.0
147.04391	0.3
148.05223	0.4
149.06033	13.1
150.03166	0.4
150.06371	0.5
151.06053	3.6
152.01161	0.2
153.01872	0.6
160.01614	14.3
161.02069	0.8
163.03970	0.6
163.07565	0.3
173.04523	0.8
175.03969	19.7
176.04370	0.7
177.05551	0.4
178.02676	7.3
179.03232	0.7
191.05573	2.6
191.07106	15.4
192.07489	0.6
193.05045	60.8
194.05385	3.5
195.06650	0.4
205.08690	11.5
206.09149	1.1
221.08203	2.1
235.06174	0.4
255.14023	0.2
257.15695	0.3
327.10941	41.9
328.11295	3.4
329.17731	0.9
330.17877	0.3
331.19226	100.0
332.19589	9.5
349.20270	0.4
354.95270	0.2
615.14667	0.2
643.31464	5.2
644.31696	0.9
654.96204	0.2
659.30414	0.6
669.29218	0.5
687.30536	2.2
688.30981	0.3
802.21912	0.3
821.36169	0.3
881.34521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98712	0.5
71.01276	5.0
73.02842	1.8
73.18358	0.3
78.95812	0.3
83.01263	0.4
85.02857	1.5
87.00797	0.4
89.02335	2.2
89.03872	0.3
89.38546	0.3
93.03364	0.8
96.95926	0.5
97.95933	0.4
98.20629	0.5
101.02342	3.7
104.70852	0.3
108.02098	0.3
109.02919	0.5
111.00782	0.3
111.04351	0.3
113.02371	1.2
117.01860	0.7
117.03343	1.5
118.81402	0.2
119.04952	0.7
121.02880	0.9
122.03632	0.4
123.08129	0.9
131.03447	0.6
131.23653	0.2
132.02094	2.5
133.02927	1.4
133.05032	0.9
134.03671	74.9
135.03957	2.7
137.02379	4.3
139.03931	1.0
147.08055	1.3
149.02373	0.6
149.06029	19.6
150.03209	1.8
150.06332	0.8
151.06065	5.6
160.01614	20.0
161.02005	0.9
161.09656	0.6
162.37280	0.3
163.03883	0.3
163.11223	1.6
165.05490	1.9
165.10939	0.3
169.81683	0.3
173.04564	0.5
175.03973	26.1
176.04292	1.3
178.01456	0.2
178.02681	10.9
179.03273	1.4
191.05573	2.4
191.07114	12.1
192.07452	1.0
193.05046	89.0
194.05418	4.0
195.06624	1.2
205.08696	9.1
206.09201	0.9
221.08215	1.2
235.06142	0.5
269.19250	0.4
285.18842	0.4
327.10938	61.9
328.11258	4.9
329.17728	2.7
330.17938	0.5
331.19232	100.0
332.19565	10.5
341.10324	0.5
347.18622	0.6
349.20325	0.4
353.08896	1.1
355.10193	0.4
389.12405	0.7
390.12518	0.3
417.21497	0.5
455.28195	0.9
493.24670	0.3
497.29251	0.3
507.24097	0.4
529.24609	0.4
551.17700	0.6
599.32343	0.8
643.31445	3.2
644.32104	0.4
669.29407	0.9
687.30457	3.1
688.30139	0.6
789.11279	0.3
852.36859	0.7
880.88007	0.9
881.36597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40952	0.2
69.03356	0.3
71.01270	1.6
71.04915	2.2
71.58017	0.4
71.85496	0.2
73.02824	0.3
75.41354	0.2
78.95824	0.4
83.01263	0.5
85.02847	1.2
85.11411	0.3
87.00758	0.6
89.02346	0.6
93.03355	2.8
95.04882	0.3
96.95918	0.3
97.02814	0.7
101.02364	0.8
104.79858	0.3
106.04150	0.6
107.04920	0.6
108.02101	0.6
109.02890	0.9
111.00784	0.5
113.02382	0.8
117.03390	0.8
119.04949	0.8
121.02869	8.3
121.06480	0.3
122.03662	4.6
123.04438	0.8
123.08082	8.6
124.01585	0.3
124.08439	0.4
125.02337	0.3
132.02098	0.7
133.02898	2.9
134.03667	60.4
135.04387	2.0
136.01590	0.6
137.02379	10.8
139.03925	3.4
147.04448	0.9
147.08093	0.6
148.01628	0.6
149.02377	13.0
149.06021	16.8
150.03169	33.1
150.06407	1.1
151.03447	1.4
152.01064	0.5
153.05492	0.3
157.81213	0.3
160.01570	0.6
161.02386	1.1
161.09657	0.7
162.02913	0.3
163.03903	0.8
164.04779	2.0
165.05527	31.8
166.05823	1.5
167.03441	0.9
167.23268	0.3
173.04523	0.7
175.03975	1.0
175.11194	0.3
176.04770	0.3
178.02673	33.8
179.03221	1.7
179.12027	0.3
180.04292	2.3
189.09177	1.1
191.05562	2.7
191.07123	6.6
193.05037	100.0
194.05385	4.8
195.06606	17.1
196.06895	0.6
205.06711	0.6
205.08678	7.1
206.09128	0.5
209.08209	0.7
221.06015	0.7
221.08241	0.9
233.06134	0.7
234.06841	0.7
235.05902	0.4
235.07906	0.4
238.06430	0.3
239.07205	1.5
245.11758	0.4
249.05573	0.3
250.06439	2.2
251.06949	0.6
253.08794	0.8
254.09541	0.6
263.12872	0.4
265.08713	0.7
267.06641	1.7
271.02475	0.8
282.09052	6.0
283.09460	0.6
285.11255	0.3
285.18729	0.4
295.05981	0.3
297.11487	0.7
299.02011	1.9
300.02444	0.3
303.19659	0.4
309.07788	0.4
313.03601	0.5
326.07895	0.6
327.10892	0.7
329.17651	39.5
330.18030	4.4
331.19144	2.7
332.19275	0.5
341.10367	19.6
342.10602	1.7
347.18707	8.1
348.19116	0.4
371.11340	0.3
389.12524	29.6
390.12924	2.8
431.13605	0.4
513.10193	0.4
529.25165	1.8
529.74567	1.3
533.16730	0.6
551.17828	10.5
552.17987	1.5
574.60242	0.3
881.20300	0.5
881.36273	5.7
882.36737	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	881.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85160	0.2
65.00213	0.5
70.90499	0.5
71.01282	2.6
73.02845	1.3
76.32367	0.2
83.01267	1.0
85.02850	1.8
87.00764	0.4
89.02335	0.6
93.03352	0.9
98.02782	0.2
99.00781	0.3
101.02338	1.5
107.01307	1.8
108.02106	0.7
109.02859	1.0
111.04401	0.3
113.02350	1.1
119.01216	0.2
121.02850	1.2
127.03901	0.3
127.43063	0.2
133.02902	0.3
134.03671	0.4
135.00746	0.2
135.04449	3.8
143.03346	0.2
148.01625	0.5
149.02344	0.3
149.04449	0.3
151.00305	5.5
152.00774	0.2
155.03505	0.3
159.04430	0.5
161.02402	0.8
161.04503	1.6
163.00337	1.5
169.01454	0.2
173.04510	1.3
178.99837	3.3
179.03458	3.2
191.05589	11.1
192.00569	0.3
192.05988	0.3
199.04024	0.3
203.03635	0.3
211.03992	0.5
215.03476	0.3
216.04288	0.4
226.02739	1.0
227.03542	1.3
228.04013	0.3
229.01439	0.9
229.05048	0.5
243.03026	4.3
243.05370	0.4
244.03358	0.5
245.04504	0.5
254.02197	1.0
255.03038	13.5
256.03455	1.2
265.04950	0.4
266.02264	0.3
266.05899	0.4
271.02542	30.5
272.02954	2.9
273.03854	0.6
283.02615	0.9
294.05508	0.3
299.01990	0.8
300.02823	65.2
301.03537	31.1
302.03860	2.7
309.07693	0.5
331.17624	2.3
335.01971	0.2
335.05646	0.4
339.05215	0.4
353.09180	4.9
354.09344	0.4
373.18747	4.4
463.08926	100.0
464.09238	11.8
464.15927	0.3
465.09790	1.5
469.37323	0.3
513.10217	0.5
515.11938	1.2
527.12390	1.3
528.12109	0.2
551.07184	0.3
689.16180	0.3
719.18744	1.2
856.31824	0.3
881.22668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	3.4
67.02452	1.1
71.01266	1.1
88.98741	1.8
93.03360	1.1
96.05802	0.9
96.95882	2.3
97.02878	2.5
115.93351	0.9
123.08077	1.1
127.07571	15.4
135.04463	1.1
161.09714	1.7
163.11215	2.0
173.04512	1.4
191.05565	2.7
191.07118	11.2
205.08678	9.6
207.26939	1.0
313.18103	8.9
314.18585	1.3
331.19229	56.4
332.19449	5.9
349.20276	97.8
350.20596	8.1
373.20291	1.9
405.14197	1.1
529.22473	9.9
657.30688	1.4
670.50769	1.1
879.43243	100.0
880.43530	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	879.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98715	0.9
62.44418	0.2
71.01270	0.8
71.57664	0.3
78.95803	0.5
79.95625	0.5
80.33198	0.3
82.18504	0.2
84.46329	0.3
85.02841	0.5
87.00736	0.3
89.03890	1.0
93.03362	0.5
95.61852	0.3
96.95916	18.4
96.96896	0.8
101.02348	8.6
108.02092	0.3
111.00782	0.6
113.02360	0.3
117.03383	3.2
119.04940	0.4
121.02917	0.5
123.08123	0.3
133.02913	0.5
134.03667	41.0
135.03938	1.6
137.02367	0.7
147.04431	0.5
147.08109	0.4
149.06030	3.3
151.03944	0.3
159.04495	0.3
161.02386	1.0
161.09729	0.4
163.03922	0.8
163.11238	0.7
172.05235	0.3
173.04463	0.3
175.03955	0.5
178.02693	1.1
178.06268	0.6
179.03452	1.0
183.04492	0.3
189.09122	0.2
189.12846	0.6
191.01892	0.3
191.05540	0.8
191.07109	4.4
193.05037	30.1
194.05478	1.9
194.69028	0.3
195.06529	0.7
197.07538	0.2
199.04025	0.9
200.04794	2.3
205.08687	3.7
206.09283	0.3
209.08200	0.9
210.03249	0.6
211.03937	1.5
212.04724	0.5
221.08293	0.7
222.87585	0.3
225.05641	0.3
227.03513	2.4
228.04266	7.7
229.04654	0.5
237.07809	0.9
239.03566	0.8
240.04214	0.7
243.06636	2.8
256.03815	11.7
257.04123	0.8
269.19064	0.4
270.05484	0.7
271.06180	61.5
272.06522	5.5
285.07721	1.7
286.08536	44.4
287.08850	3.6
300.10098	1.3
301.10870	100.0
302.11227	9.3
313.18179	5.2
314.18430	0.6
331.19220	34.6
332.19583	3.4
347.18665	0.5
347.70309	0.3
349.20132	2.5
350.20596	0.3
385.13013	51.7
386.13409	5.8
403.14096	6.3
404.14630	0.5
463.16183	0.5
547.18372	1.2
565.19397	3.0
566.19757	0.7
720.58093	0.3
879.39288	1.2
880.40057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01773	0.5
68.48987	0.2
70.99388	0.5
70.99725	0.4
71.01273	4.9
71.04929	0.5
72.99200	0.5
73.02845	2.0
78.95813	0.4
79.32615	0.2
81.03352	0.5
83.01285	0.5
83.04929	0.3
85.02837	1.0
87.00758	0.9
89.02341	2.7
89.03887	0.4
91.85410	0.3
93.03354	2.1
94.03680	0.3
96.95911	1.8
101.02348	3.7
106.04116	0.3
106.86452	0.2
107.04973	0.3
109.02842	0.6
109.06499	0.4
111.04452	0.5
113.02314	0.6
117.01846	0.4
117.03400	1.9
119.03424	0.6
119.04947	0.9
121.02882	0.6
121.06492	0.6
123.04462	0.3
123.08080	10.9
124.08396	0.5
125.02369	0.5
127.03896	0.3
132.02103	2.9
133.02919	1.6
133.04994	1.0
134.03668	77.4
135.03951	2.9
137.02373	2.9
139.03923	1.1
143.81755	0.3
145.02905	0.6
146.70007	0.2
147.08080	0.3
148.05244	0.6
149.02438	0.4
149.06026	20.2
150.03194	0.6
150.06329	0.8
151.06062	5.6
151.07570	2.7
152.01077	0.6
160.01610	23.2
161.02080	1.6
161.04474	0.3
161.09657	0.7
163.03902	0.7
163.07600	0.4
165.05443	0.3
173.04535	1.6
175.03970	31.2
176.04279	1.7
178.02679	9.0
179.03355	1.4
189.09174	0.6
191.05563	4.8
191.07129	8.4
192.05898	0.6
193.05042	100.0
194.05370	4.7
195.06618	6.7
196.06841	0.4
205.08694	8.8
205.12366	0.4
206.09283	0.4
209.08313	0.3
211.07687	0.7
213.05568	0.3
219.06601	2.4
220.07156	0.3
221.08176	1.4
235.06094	0.6
237.07698	0.4
245.11749	0.5
253.08755	0.3
255.03146	0.4
283.02457	0.7
285.18625	0.6
294.05295	0.4
299.02139	0.4
306.15155	0.3
327.10934	92.1
328.11267	6.7
329.17651	54.8
330.17996	5.4
347.18686	2.5
357.12018	3.4
358.12357	0.5
371.18518	0.6
398.86151	0.3
417.74634	0.3
421.23697	0.3
435.25580	0.4
449.14636	0.4
453.26443	0.6
491.22757	0.6
501.13092	0.3
535.25916	0.8
641.29974	3.2
642.29944	0.7
685.28998	1.4
686.28510	0.4
879.33972	0.4
882.61963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	0.9
66.56944	0.5
69.03342	4.4
71.01276	11.1
71.04914	0.8
72.99187	1.1
73.02839	1.2
78.95808	0.9
81.03342	0.6
83.01270	1.3
85.02839	3.2
87.00770	2.1
89.02341	7.4
95.01289	1.2
97.02853	1.8
99.00810	0.9
101.02356	7.9
109.06456	0.6
113.02367	3.5
116.92766	1.4
119.03401	1.6
121.02863	2.2
123.08089	1.3
125.02348	1.9
125.09613	1.3
137.09648	0.7
143.03400	0.8
149.09630	0.6
151.11256	1.5
153.12842	0.6
156.19077	0.4
161.04486	1.4
161.09666	2.4
179.05611	0.6
179.10757	5.3
187.30223	0.5
191.05560	0.9
197.11823	30.5
198.12077	1.9
209.11797	0.9
217.87381	0.5
221.06598	1.3
223.09734	1.1
229.22087	0.5
235.08176	0.7
241.10817	1.6
253.09373	0.7
255.23349	38.3
256.23703	3.2
279.69153	0.5
341.86307	0.5
397.13596	1.6
415.14319	0.6
667.74823	0.6
859.46283	0.8
877.48267	100.0
878.48511	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63586	0.7
69.03343	3.4
70.60473	2.4
70.60823	0.8
71.01271	85.8
72.01608	1.9
72.99203	3.8
73.02838	82.4
74.03188	1.1
75.00777	2.1
77.76960	0.8
78.47678	0.8
78.95801	1.1
81.03352	1.0
83.01280	25.7
85.02847	21.3
85.99974	0.7
87.00754	4.4
89.02337	15.6
93.03386	0.9
95.01298	4.0
96.96883	1.0
97.02846	2.1
99.00776	6.4
99.04402	0.9
101.02348	100.0
102.02666	2.2
113.02359	43.4
119.03416	13.8
125.02396	4.5
131.03453	8.1
143.03430	11.2
147.02972	0.8
149.04497	22.0
150.04904	1.0
155.03426	2.3
159.02985	4.1
161.04503	51.8
162.04857	1.4
164.62729	0.7
177.01935	2.3
179.03371	0.8
179.05635	1.6
179.93515	0.9
185.66902	0.7
191.05597	3.4
192.04251	2.6
203.05588	5.3
207.06642	2.9
221.06674	15.6
223.04242	0.8
233.09528	2.0
302.11417	0.7
313.16666	1.6
331.17703	29.8
332.18051	2.9
370.66043	0.9
373.18762	40.0
373.22586	6.8
374.18921	4.3
415.23483	9.2
416.23633	1.3
417.17636	1.6
601.96497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28832	0.2
61.98705	0.2
71.01261	1.0
71.04903	2.2
71.28797	0.5
73.02858	0.3
75.45013	0.2
78.12741	0.2
85.02845	1.3
87.00782	0.4
87.04422	0.2
89.02297	0.5
89.03862	1.2
96.95902	0.4
97.02850	0.3
101.02370	0.6
113.02370	0.9
117.03375	3.7
119.04928	0.4
121.06531	0.3
123.08078	10.3
124.08383	0.6
125.02361	0.2
131.03406	0.2
132.02184	0.3
133.02884	0.6
134.03664	42.0
135.03905	1.3
136.01556	0.4
137.02298	0.2
147.04462	0.3
147.08067	0.3
149.06033	2.7
161.02383	0.7
161.04485	0.6
161.09715	0.7
172.05293	0.4
175.03952	0.3
178.02652	0.4
179.03389	0.2
184.05205	0.3
189.09183	1.3
191.05574	0.5
191.07101	6.9
191.14386	0.2
192.07425	0.4
193.05035	31.3
194.05354	1.5
199.03926	1.3
200.04799	2.4
204.04239	0.2
205.08690	6.6
206.09187	0.5
207.10272	0.3
210.03163	1.2
211.03970	1.7
212.04726	0.4
219.13910	0.6
221.08205	0.7
227.03488	2.3
228.01945	0.3
228.04274	7.0
229.04642	0.5
235.06111	0.3
239.03529	1.0
240.04271	0.7
243.06622	3.5
245.11801	0.6
256.03809	12.0
257.04102	0.8
263.12897	0.4
270.05240	0.3
271.06171	59.3
272.06485	4.1
285.07809	1.0
285.18710	0.7
286.08533	44.7
287.08826	3.1
299.02118	1.2
300.10156	0.6
301.10867	100.0
302.11230	7.7
302.14740	0.4
303.19736	0.7
329.17636	51.4
330.17969	4.8
347.18713	12.9
347.22131	0.2
348.18915	1.1
371.18817	0.4
385.13004	42.4
386.13382	4.3
389.19745	0.5
401.19876	0.3
539.57080	0.2
547.18152	0.5
675.92419	0.2
805.36969	0.3
806.36157	1.5
877.35236	0.3
878.38361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03432	0.8
69.03352	2.4
69.14155	0.8
69.58295	1.6
69.58707	4.9
71.01269	100.0
72.01598	1.2
72.99192	3.1
73.02833	27.7
75.00766	2.0
78.17977	0.9
81.03367	1.3
83.01280	12.7
84.02068	1.2
85.02837	42.7
87.00780	3.2
89.02335	23.0
89.03599	0.9
95.01291	7.3
96.95901	1.6
97.02865	3.9
98.19854	1.7
99.00776	13.6
99.04423	1.0
101.02345	61.1
102.02639	0.9
113.02350	33.6
119.03413	3.3
125.02374	10.2
128.88193	0.8
129.01849	2.3
131.03448	4.7
135.04404	2.4
137.02386	1.0
143.03394	6.3
145.78142	0.8
148.05220	6.7
149.04488	6.2
151.54503	0.9
159.02951	8.7
161.02487	1.7
161.04495	41.7
162.04816	1.6
163.07671	1.7
167.44872	1.0
169.12268	1.2
179.03458	1.5
191.05617	4.5
195.06493	1.0
203.05577	1.4
224.89682	0.9
233.06589	1.3
293.08807	16.4
313.16785	3.0
331.17685	83.8
332.18033	7.5
373.18753	87.4
374.19043	9.0
375.16739	1.7
417.17828	3.8
517.54755	1.0
537.27679	1.3
827.17993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	0.4
65.00221	0.5
67.01768	0.2
69.03353	0.3
69.19992	0.1
69.35497	1.3
71.01278	0.5
78.91769	0.1
80.02544	0.2
81.03345	3.7
83.01273	0.7
85.02849	0.2
85.06474	0.6
87.04414	0.6
88.98697	0.2
93.03334	0.3
95.01267	0.2
95.04922	0.4
96.95898	0.3
97.02875	0.4
97.06512	0.1
107.01293	0.4
108.02067	0.2
109.02871	0.4
109.06491	1.8
111.04426	3.5
113.06039	0.3
119.04884	0.2
121.02897	0.3
121.06562	0.2
122.03658	2.1
123.00812	0.2
123.04444	0.5
123.08105	0.3
124.01604	0.2
125.01451	0.3
125.02374	5.3
127.07574	0.2
130.47601	0.1
134.03706	0.2
135.04457	0.2
135.08128	0.1
137.02306	0.2
139.03949	0.4
149.02420	1.1
151.00301	1.0
151.07590	34.4
152.01102	0.4
152.07938	1.4
153.05478	0.3
161.02353	0.1
161.09654	0.3
163.04008	0.2
163.07553	0.3
164.27936	0.1
165.01875	0.2
165.05510	0.6
167.03423	0.4
167.07060	0.2
173.09598	0.3
175.00282	0.6
177.05545	0.6
179.03477	0.3
179.07095	0.6
187.07603	0.1
187.11235	0.3
189.12822	6.5
190.13168	0.4
191.05582	0.3
191.07098	2.5
194.05775	0.2
195.06607	100.0
196.06941	4.6
201.05547	0.2
205.08694	4.9
206.09111	0.4
207.06651	0.8
207.10193	0.2
208.07391	0.2
209.08209	1.9
209.31084	0.1
219.06624	15.3
220.06987	0.9
221.08165	0.5
235.06267	0.1
237.07698	6.1
238.07993	0.3
249.07700	1.8
261.07831	0.4
269.19144	0.8
285.34714	0.1
313.18164	27.4
314.18518	2.4
331.19138	0.4
339.10910	1.3
357.11990	7.9
358.12262	0.5
381.12024	0.8
399.13037	37.9
400.13342	2.9
436.62604	0.1
504.09018	0.1
655.45404	0.1
671.30859	1.7
672.31409	0.3
726.64075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00209	0.4
69.03351	0.2
70.03944	0.7
71.01270	7.9
73.02838	3.1
81.03350	2.1
83.01286	1.8
85.02850	4.1
85.06465	0.3
87.00771	0.5
87.04413	0.3
89.02369	0.4
93.02853	0.2
93.03405	0.3
95.01275	0.6
97.02850	0.4
98.20053	0.4
99.00771	1.4
101.02343	6.4
107.04892	0.3
109.06513	1.4
111.04426	2.0
113.02357	3.2
121.02901	0.3
122.03633	1.0
123.04416	0.4
123.08056	0.3
125.02367	5.1
126.02753	0.2
129.01871	0.2
135.04449	0.3
137.02446	0.2
139.03934	0.4
143.03468	0.4
149.02408	1.0
151.00264	0.9
151.07590	28.6
152.01070	0.4
152.07932	1.4
153.05449	0.2
159.02936	0.8
159.65741	0.2
161.04494	3.7
163.07466	0.2
165.05528	0.5
167.03549	0.2
175.00311	0.6
177.05493	0.6
179.07106	0.7
181.08725	0.2
191.05605	0.6
191.07135	1.0
193.04927	0.3
194.05779	0.4
195.06604	100.0
196.06955	4.7
201.05656	0.3
207.06621	0.4
209.08150	2.0
219.06625	15.7
220.06940	1.0
220.44096	0.2
237.07710	6.9
238.08083	0.4
249.07721	1.8
251.09445	0.2
252.40695	0.2
261.07733	0.3
267.08838	0.2
269.10367	8.6
270.10803	0.5
286.53778	0.2
297.09891	0.5
311.11414	8.3
312.11789	0.8
355.10297	0.7
357.11984	75.9
358.12323	6.6
399.13013	0.2
604.17236	0.2
679.40625	0.2
708.91339	0.2
716.79749	0.2
893.30603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	0.4
63.02274	0.9
64.99893	0.2
65.00186	0.9
65.00457	0.1
68.06557	0.1
69.42471	0.8
69.42878	0.2
71.01264	0.2
81.57939	0.1
83.01270	0.5
85.02854	0.3
89.00209	0.2
93.03359	0.3
96.95912	0.5
107.01298	1.3
108.02161	0.1
109.02858	1.3
113.02356	0.2
115.05495	0.2
117.03371	0.2
119.01303	0.2
119.04927	0.1
129.03368	0.1
131.04956	0.2
133.02893	2.9
135.00803	0.3
135.04451	0.5
143.04980	0.9
145.02852	0.6
147.00807	0.5
147.04434	0.4
148.05243	0.4
149.02342	0.2
151.00339	1.5
155.03838	0.1
155.04973	0.5
157.02905	0.9
159.04405	0.2
159.37167	0.1
160.98718	0.1
161.02396	1.7
161.06035	0.1
163.03903	0.3
169.01427	0.3
169.02846	0.2
170.03566	0.1
171.04478	2.5
172.04890	0.2
173.02393	0.6
173.04515	0.2
175.03983	1.7
179.03435	0.2
182.03668	0.2
183.04439	0.5
185.02361	0.3
187.03990	1.3
189.05565	0.3
191.05595	0.7
192.05779	0.1
195.06590	0.1
197.02434	0.5
198.01630	0.1
198.03224	0.8
199.03998	6.0
200.01315	0.1
200.04333	0.4
201.01906	2.3
203.03500	0.4
211.03667	0.1
213.01886	0.2
214.02638	0.4
215.03511	2.6
216.03865	0.2
225.01982	0.3
226.02728	1.1
227.03511	3.0
228.03824	0.1
229.01503	0.3
241.01506	0.2
242.02313	0.8
243.03035	3.6
255.02974	0.7
271.02542	42.2
272.02850	2.9
282.01608	0.6
298.01328	0.2
299.02042	100.0
300.02380	7.2
301.03503	0.7
353.09067	0.2
529.17358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34628	0.3
64.79617	0.3
65.00197	0.3
67.01785	0.3
68.12809	0.3
69.03350	0.5
71.01276	1.4
71.60633	0.6
72.99202	23.3
73.02843	0.7
75.00751	0.3
78.95795	8.7
83.01299	0.5
85.02866	1.9
87.00764	0.5
89.00235	1.0
91.01788	0.6
93.03358	2.0
95.01270	0.8
96.96859	4.5
99.00803	0.9
101.02341	0.5
106.00526	1.5
107.01295	3.2
111.00785	0.6
113.02377	3.0
117.03371	1.5
119.04950	100.0
120.05286	3.3
121.02876	20.3
122.03238	0.9
123.00791	5.1
124.01576	0.8
125.02393	0.3
127.00308	0.5
131.03413	0.8
133.02858	0.5
136.98737	0.7
138.03171	3.2
139.03960	3.4
145.02901	5.2
148.44560	0.3
153.05522	12.4
154.05852	0.3
159.04399	0.5
162.03160	1.1
163.03963	55.1
164.04283	2.9
166.99820	6.0
168.00679	1.5
173.04524	0.9
175.07629	0.4
177.05531	2.6
182.02177	17.0
183.02951	10.6
188.88045	0.4
188.99278	0.3
191.05600	6.1
197.04536	30.4
198.04855	1.3
205.05121	0.5
219.06651	0.8
233.09540	3.2
253.05183	0.3
277.07205	1.8
298.14642	0.3
307.08252	1.4
319.89682	0.3
325.09338	1.0
337.09253	0.4
381.08191	0.3
409.11545	0.4
421.11505	0.5
439.12549	26.9
440.12982	1.8
457.13580	6.3
458.14014	0.7
551.13257	0.3
593.27789	0.4
628.21564	0.4
637.17889	80.1
638.18195	11.6
871.27136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01818	0.1
69.03344	0.2
69.97857	0.2
71.01276	0.6
71.60369	0.2
71.60831	0.2
75.00770	0.2
78.95776	1.0
81.03310	0.3
85.02853	0.8
87.00784	1.2
89.02335	0.3
93.03366	2.3
95.01278	0.5
95.04926	0.3
96.95913	0.4
96.96872	0.5
97.02844	0.3
99.00852	0.2
101.02332	0.2
104.94528	0.1
109.02867	0.3
111.00802	0.3
111.04425	0.3
113.02328	0.4
117.03365	0.2
119.04965	1.1
121.02862	0.2
123.00766	0.2
127.03917	0.2
129.01913	0.3
133.02917	0.2
134.03604	0.2
135.04460	0.3
137.02382	0.3
145.02902	0.5
147.04440	1.3
155.03444	0.2
157.04988	0.3
161.04541	0.1
163.03931	0.5
173.04535	0.7
176.92709	0.2
179.03441	0.2
183.02963	3.3
187.20450	0.1
191.05579	4.3
192.05960	0.3
193.05029	0.2
201.04016	1.0
211.07663	0.2
227.07140	0.2
233.09459	0.5
243.05136	100.0
244.05489	4.9
255.02971	0.2
284.03265	0.2
285.04086	0.3
286.25729	0.2
293.35806	0.2
315.08740	0.2
331.08325	0.4
351.07263	0.2
391.10489	0.6
402.35498	0.2
423.50629	0.1
498.78729	0.1
580.40472	0.1
636.16724	0.2
671.24194	0.2
739.19775	0.2
797.39038	0.2
827.34509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54128	0.3
65.74335	0.3
66.74625	0.2
68.16050	0.3
71.01268	1.0
71.58765	0.3
73.02841	0.5
74.69952	0.3
85.02840	4.1
87.00786	1.0
93.03357	2.9
94.55467	0.3
97.35130	0.3
101.02338	0.7
107.04929	0.5
109.02868	0.8
111.04410	1.4
117.03355	0.4
127.03922	1.1
133.02859	1.8
134.03647	2.4
135.04449	39.9
136.04790	1.6
137.02345	0.4
155.03435	1.5
161.02390	4.8
171.02875	0.4
173.04503	4.3
177.01968	0.3
179.03459	47.5
180.03838	2.5
188.84229	0.3
191.05585	90.2
192.05939	3.3
246.52510	0.3
299.02081	0.4
335.07874	0.5
351.07339	0.6
351.93246	0.3
353.08841	100.0
354.09164	7.2
515.12073	7.7
516.12201	1.2
546.81567	0.4
871.20935	0.3
903.67596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01818	0.1
69.03344	0.2
69.97857	0.2
71.01276	0.6
71.60369	0.2
71.60831	0.2
75.00770	0.2
78.95776	1.0
81.03310	0.3
85.02853	0.8
87.00784	1.2
89.02335	0.3
93.03366	2.3
95.01278	0.5
95.04926	0.3
96.95913	0.4
96.96872	0.5
97.02844	0.3
99.00852	0.2
101.02332	0.2
104.94528	0.1
109.02867	0.3
111.00802	0.3
111.04425	0.3
113.02328	0.4
117.03365	0.2
119.04965	1.1
121.02862	0.2
123.00766	0.2
127.03917	0.2
129.01913	0.3
133.02917	0.2
134.03604	0.2
135.04460	0.3
137.02382	0.3
145.02902	0.5
147.04440	1.3
155.03444	0.2
157.04988	0.3
161.04541	0.1
163.03931	0.5
173.04535	0.7
176.92709	0.2
179.03441	0.2
183.02963	3.3
187.20450	0.1
191.05579	4.3
192.05960	0.3
193.05029	0.2
201.04016	1.0
211.07663	0.2
227.07140	0.2
233.09459	0.5
243.05136	100.0
244.05489	4.9
255.02971	0.2
284.03265	0.2
285.04086	0.3
286.25729	0.2
293.35806	0.2
315.08740	0.2
331.08325	0.4
351.07263	0.2
391.10489	0.6
402.35498	0.2
423.50629	0.1
498.78729	0.1
580.40472	0.1
636.16724	0.2
671.24194	0.2
739.19775	0.2
797.39038	0.2
827.34509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.6
69.03343	1.0
71.01274	22.9
71.59884	0.6
72.99210	0.9
73.02837	7.5
75.00777	0.9
81.03356	3.9
83.01280	3.7
83.01634	0.3
83.04918	8.8
83.31116	0.4
85.02849	12.1
86.00018	0.4
86.85287	0.4
87.00784	1.4
89.02338	2.1
93.03372	3.8
95.01304	1.4
95.93178	0.4
97.02832	1.1
99.00782	3.9
101.02351	17.9
108.02076	0.4
108.04473	0.5
111.00826	0.5
111.04436	0.7
113.02361	10.0
117.03407	0.4
117.10944	0.4
119.04919	3.4
123.04444	1.2
123.97482	0.4
125.02361	1.3
125.07139	0.8
129.01833	0.4
133.02913	0.7
134.03679	1.7
135.00781	0.8
135.04451	1.2
137.02364	1.0
143.03459	1.4
143.04962	1.3
145.02887	0.9
147.04372	0.6
155.03452	0.6
158.03569	0.5
159.02953	2.8
159.04338	0.7
160.01724	0.4
161.04509	17.3
162.04919	0.5
163.03935	3.8
167.03479	2.6
168.03789	0.8
173.04553	2.0
173.05954	0.4
175.03973	0.4
179.03421	0.4
191.05591	9.0
192.05867	0.5
193.05058	0.7
205.03502	0.6
207.14978	1.3
224.17754	1.8
225.16098	7.9
226.06313	0.4
226.16501	0.5
241.08710	0.4
242.18536	0.5
250.06555	0.4
251.07217	1.6
252.07841	0.8
279.06485	0.5
280.07425	1.6
295.09872	2.1
313.16626	1.3
319.08270	0.5
324.26794	1.0
331.17706	32.4
332.18051	2.4
333.22952	1.4
339.08807	0.5
351.23834	0.5
357.09900	16.3
358.10321	2.9
367.27328	0.6
373.18771	57.5
374.19061	6.3
375.16379	0.9
391.19659	0.4
417.17804	5.3
433.31976	5.2
434.32501	0.7
451.12680	2.1
451.33011	100.0
452.33295	12.1
452.38135	0.3
529.63165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98721	1.1
71.01270	3.9
71.59314	0.2
71.59756	0.2
72.99190	0.2
73.02840	1.2
78.95799	0.2
81.03352	0.7
83.01273	0.5
85.02846	2.5
87.00775	0.3
89.02339	0.7
93.03369	0.2
95.01320	0.2
95.04911	0.2
96.95920	2.4
97.02856	1.2
97.06507	0.3
99.00780	0.4
99.04409	0.3
101.02331	2.1
108.02073	0.3
109.02823	0.2
109.06532	0.3
111.04425	0.2
113.02360	1.2
116.92780	0.3
119.03452	0.2
122.03662	1.6
123.04447	0.4
123.08077	0.5
125.02347	0.3
127.07553	0.3
129.73933	0.2
129.93929	0.2
133.10118	0.2
133.80266	0.2
134.03627	0.2
135.04460	0.2
135.08080	0.5
147.08099	0.2
151.07625	0.2
159.02913	0.3
159.08098	0.6
161.04500	2.1
161.09654	0.7
163.07581	0.3
163.11229	0.3
165.09198	0.2
173.09689	0.6
181.26746	0.2
187.11270	0.7
189.05507	0.4
189.09207	0.6
189.12827	18.4
190.13197	1.1
191.05536	0.4
191.07104	4.0
192.07591	0.2
195.06580	0.7
196.25333	0.2
203.14392	0.2
205.08690	12.2
206.09113	0.7
207.10274	0.5
209.11839	0.2
221.08221	0.3
242.17033	0.2
243.13896	0.7
251.17998	0.2
267.17661	0.2
269.19180	2.7
270.19519	0.4
283.17184	0.3
285.18616	0.2
287.20239	0.6
313.18167	100.0
314.18500	9.6
315.19705	3.1
316.20074	0.3
325.20303	0.2
331.19217	12.6
332.19507	1.2
333.20810	3.7
334.21207	0.2
357.11807	0.4
495.26096	1.7
496.26459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00227	0.5
67.01770	0.1
69.03332	0.2
71.01271	0.4
73.86871	0.1
76.19160	0.1
81.03345	2.6
83.01287	0.5
85.02849	0.1
85.06483	0.4
87.04419	0.3
93.03367	0.3
95.04924	0.3
96.95918	0.6
97.02853	0.4
107.01321	0.2
107.04881	0.1
108.02151	0.2
109.02865	0.2
109.06501	1.7
111.04430	3.0
113.05940	0.2
121.02851	0.3
122.03652	1.2
123.04442	0.3
123.08084	0.2
124.01536	0.2
125.02367	6.2
127.07573	0.3
133.02875	0.2
135.04475	0.4
137.02419	0.1
139.03929	0.4
139.81279	0.1
149.02350	1.1
151.00307	0.8
151.07588	33.7
152.01060	0.3
152.07941	1.5
153.05463	0.3
161.02379	0.5
161.06110	0.1
163.07471	0.2
165.05548	0.5
167.03453	0.4
175.00240	0.6
177.05518	0.6
179.03484	0.4
179.07063	0.8
189.12814	0.7
191.05562	0.5
191.07117	1.0
193.04951	0.2
194.05849	0.3
195.06602	100.0
196.05153	0.2
196.06953	4.6
201.05492	0.3
205.08763	0.8
207.06625	0.5
208.07362	0.2
209.08177	1.9
219.06627	18.3
220.07014	0.9
221.08136	0.4
226.49431	0.1
229.34982	0.1
233.08159	0.2
237.07687	7.3
238.08009	0.5
249.07674	2.3
256.24908	0.2
261.07755	0.3
279.08731	0.2
297.09818	0.5
313.18146	7.7
314.18567	0.8
331.19095	0.3
339.10928	1.1
357.11975	60.0
358.12311	4.6
358.16803	0.2
501.16516	0.2
519.17249	0.5
671.30872	5.0
672.31232	1.0
833.36084	0.2
869.34131	1.2
870.34058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99184	0.1
64.20311	0.1
67.01767	0.3
69.03341	0.2
70.06735	0.4
71.01274	0.8
72.99191	0.1
73.02822	0.3
81.03353	0.4
83.01304	0.1
83.04906	0.3
85.02843	8.6
86.03183	0.2
87.00771	1.9
93.03360	3.7
94.03667	0.1
95.40887	0.1
96.95919	0.2
97.70649	0.1
98.20465	0.1
99.04424	0.3
101.02338	0.1
108.02065	0.1
109.02878	0.6
111.04426	1.1
113.02344	0.2
119.04932	0.4
123.25121	0.1
125.02434	0.1
127.03931	2.2
128.04239	0.1
129.01854	0.1
134.03683	0.2
137.02367	0.2
139.92470	0.1
143.04945	0.3
153.01939	0.1
155.03412	0.3
159.03113	0.1
163.03935	0.3
171.03008	0.7
173.04518	1.6
191.05585	100.0
192.05923	4.1
193.06015	0.3
211.07704	0.1
231.58592	0.1
237.09189	0.1
239.05978	0.2
265.08780	0.3
327.08807	1.1
345.91553	0.1
367.10553	0.1
501.14102	0.8
502.14655	0.1
869.24963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	0.3
71.01237	0.2
78.95795	52.7
79.43890	0.2
84.76272	0.2
85.02843	0.2
89.02356	0.2
96.95925	0.3
96.96866	6.7
115.36945	0.2
127.16909	0.2
135.04437	0.2
150.97948	1.7
152.99529	100.0
153.99866	1.6
171.00598	3.9
191.05565	0.4
209.11813	0.8
222.12053	0.2
227.13680	0.2
277.21802	0.5
279.23416	1.0
397.13724	0.3
433.23703	35.6
434.24002	3.5
513.20416	0.4
596.83228	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	869.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99184	0.1
64.20311	0.1
67.01767	0.3
69.03341	0.2
70.06735	0.4
71.01274	0.8
72.99191	0.1
73.02822	0.3
81.03353	0.4
83.01304	0.1
83.04906	0.3
85.02843	8.6
86.03183	0.2
87.00771	1.9
93.03360	3.7
94.03667	0.1
95.40887	0.1
96.95919	0.2
97.70649	0.1
98.20465	0.1
99.04424	0.3
101.02338	0.1
108.02065	0.1
109.02878	0.6
111.04426	1.1
113.02344	0.2
119.04932	0.4
123.25121	0.1
125.02434	0.1
127.03931	2.2
128.04239	0.1
129.01854	0.1
134.03683	0.2
137.02367	0.2
139.92470	0.1
143.04945	0.3
153.01939	0.1
155.03412	0.3
159.03113	0.1
163.03935	0.3
171.03008	0.7
173.04518	1.6
191.05585	100.0
192.05923	4.1
193.06015	0.3
211.07704	0.1
231.58592	0.1
237.09189	0.1
239.05978	0.2
265.08780	0.3
327.08807	1.1
345.91553	0.1
367.10553	0.1
501.14102	0.8
502.14655	0.1
869.24963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03350	0.3
70.51614	0.1
71.01270	2.0
71.04909	0.2
71.16062	0.3
72.99221	0.2
73.02838	0.7
75.00764	0.7
81.03344	0.9
83.01277	0.4
85.02837	1.9
89.02361	0.4
93.03382	0.2
95.01304	0.4
95.04944	0.3
96.93494	0.2
96.95782	0.1
97.02852	9.8
97.06480	0.8
97.41508	0.1
99.04423	0.3
101.02362	0.9
104.30004	0.1
107.04954	0.2
108.02094	0.3
109.02852	0.7
109.06485	0.2
113.01621	0.3
113.02357	2.9
119.03424	0.5
119.12267	0.1
121.06534	0.2
122.03651	1.9
123.04460	0.4
123.08095	0.3
125.02401	0.2
127.07566	3.6
133.10120	0.1
134.03688	0.2
135.08069	0.6
141.01920	0.2
143.03442	0.4
145.06548	0.3
147.08107	0.2
153.12741	0.2
159.08096	0.4
161.04543	0.4
161.09674	1.2
163.03871	0.2
163.11218	0.3
165.05496	0.4
165.09167	0.3
171.08064	0.2
173.09665	0.7
175.11327	0.2
177.12813	0.2
179.10947	0.2
181.12306	0.2
187.11246	0.9
189.05547	0.3
189.12820	19.3
190.13127	1.0
191.05516	0.3
191.07095	4.3
193.05078	0.2
201.12802	0.2
203.10905	0.3
203.14316	0.9
205.08679	13.6
205.12404	0.6
206.09102	0.9
207.10252	1.7
215.07343	0.2
221.08208	0.3
221.15483	0.4
227.14423	0.2
229.16051	0.3
243.13760	0.8
251.18120	0.2
253.15981	0.3
267.17456	0.2
269.19180	4.9
270.19577	0.3
281.15479	0.3
283.17108	2.6
284.17368	0.2
285.18546	0.6
287.20135	0.8
295.17221	0.6
297.18729	0.3
309.18695	0.2
311.20282	0.6
313.18155	100.0
314.18500	9.0
327.19702	0.2
331.19211	52.9
332.19574	4.6
337.18094	0.6
345.20822	0.8
355.19205	4.5
356.19632	0.4
367.19299	0.2
373.20224	3.4
373.24670	0.3
374.20480	0.4
385.20187	0.3
415.21561	0.3
427.21329	0.3
441.15573	0.2
475.24121	0.2
685.62134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99169	0.4
63.42575	0.2
67.01778	1.1
69.03344	0.3
69.30202	1.9
69.30623	0.9
71.01281	1.5
73.02828	0.6
78.95798	0.4
81.03342	0.5
83.01244	0.3
85.02847	4.4
87.00776	2.4
93.03359	7.1
93.03919	0.4
94.03719	0.3
101.02349	0.6
109.02853	1.5
111.04436	2.2
113.02371	0.6
114.66403	0.3
121.02874	0.9
124.50935	0.2
127.03947	1.1
129.01851	0.4
133.02905	2.2
134.03662	0.5
135.04442	7.4
136.04771	0.3
137.02409	0.6
142.04378	0.2
145.02878	0.4
147.04471	0.3
155.03467	0.7
159.04462	0.9
160.01636	0.6
161.02391	5.4
162.02750	0.4
163.03999	0.4
173.02332	0.7
173.04523	3.1
174.03159	0.3
177.01907	0.6
179.03481	4.7
183.04324	0.3
185.02460	0.8
186.03194	0.3
191.05588	31.7
192.05873	1.4
193.06598	0.6
195.06575	0.5
195.08134	1.9
196.05186	0.3
201.11371	0.4
205.06573	0.6
206.07401	0.4
207.08122	0.3
209.06064	0.4
211.07613	1.4
220.05327	0.3
221.06091	2.4
222.06799	1.1
223.07643	4.5
224.04802	0.7
224.07983	0.3
225.05569	0.6
229.01389	0.5
234.06895	0.3
237.05548	1.4
238.06392	0.8
239.07153	3.5
249.05571	2.7
250.06323	1.2
251.07137	4.7
252.04416	0.5
252.07550	0.6
253.05029	0.4
265.05112	1.4
266.05978	1.1
267.06680	10.1
268.06995	0.9
276.04425	0.4
277.05112	3.0
278.05585	0.4
279.03143	0.4
280.03943	0.5
283.06204	0.4
293.04678	2.3
294.05270	0.6
295.06174	10.3
296.06555	0.8
311.05658	3.7
321.04123	6.1
322.04532	0.8
339.05170	74.2
340.05521	6.1
347.02136	0.4
351.07074	0.4
353.08810	4.1
354.09024	0.7
389.18356	0.3
457.09375	0.3
483.07004	0.4
487.12158	0.8
495.09421	7.5
496.09784	1.3
513.10486	100.0
514.10834	13.1
515.12109	1.2
518.82025	0.3
531.11292	0.4
579.13550	0.3
647.61853	0.3
675.13647	17.9
676.13812	3.6
705.18237	0.9
867.20697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01279	1.3
71.04925	0.3
71.40855	0.2
71.41190	0.2
72.26211	0.2
73.02848	1.5
81.03349	1.0
85.02843	4.5
87.00776	0.6
89.02351	0.6
93.03355	0.2
96.95904	0.3
99.04414	0.4
101.02350	0.8
103.03924	1.1
109.02914	0.2
113.02361	0.5
115.03908	0.4
117.03386	1.0
117.05504	0.7
118.83498	0.2
119.04901	0.4
121.02959	0.3
123.04457	0.5
123.08051	0.2
132.02095	3.4
133.02898	3.1
134.03670	48.4
135.03951	2.1
135.06555	3.1
136.01672	0.2
137.02397	0.8
139.03949	0.2
147.04472	0.3
147.08107	0.5
148.05273	0.7
149.06027	20.2
150.06345	0.6
160.01613	31.3
161.01982	1.4
161.09659	0.4
162.03011	0.2
163.03969	0.3
163.07578	0.2
163.11244	1.5
167.89384	0.2
173.04692	0.2
175.03967	44.1
176.04309	1.9
177.01895	1.0
178.02684	1.5
179.03487	1.1
179.05565	0.2
184.06990	0.2
191.05580	0.9
191.07117	6.5
192.07423	0.4
193.05040	55.8
194.05373	2.6
195.06702	0.3
205.08681	4.8
206.09340	0.3
221.04596	0.5
221.08263	0.7
235.06094	0.6
269.19315	0.3
296.09039	1.5
311.11441	100.0
312.11768	7.1
313.18060	0.2
329.17322	0.2
331.19220	59.3
332.19556	6.0
347.18710	0.3
349.20346	0.7
373.19907	0.2
395.76096	0.2
507.24039	0.2
643.31305	0.9
669.29254	0.3
687.30481	0.5
692.50696	0.2
775.63324	0.2
821.39636	0.3
835.35315	0.2
865.34955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	1.6
69.03366	0.2
69.95604	0.7
71.01273	1.8
71.04923	0.3
72.99219	0.3
73.02841	2.0
78.72279	0.2
78.95790	0.3
81.03336	1.0
83.01288	0.3
85.02844	5.2
87.00783	0.3
89.02357	0.8
89.03873	0.3
93.03372	0.8
99.04462	0.3
101.02367	1.0
103.03893	0.7
105.01833	0.2
105.03362	0.3
108.02047	0.2
109.02873	0.3
111.04408	0.2
113.02371	0.3
115.03928	0.2
117.03391	1.3
117.05502	0.7
118.03686	0.1
119.04913	0.5
120.67340	0.2
121.02849	0.3
123.08105	0.3
132.01149	0.3
132.02112	4.2
133.02901	3.4
133.04980	0.4
134.03670	57.9
135.03922	2.1
135.06566	3.3
136.01582	0.2
137.02388	1.4
139.03923	0.4
139.97897	0.2
145.02867	0.3
147.04425	0.4
147.08054	0.3
148.05229	0.8
149.06032	20.1
150.06364	0.9
156.05894	0.2
160.01613	38.3
161.01945	1.7
161.09587	0.2
163.03937	0.3
173.04544	0.4
175.03970	45.7
176.04285	2.6
177.01888	0.9
178.02672	2.0
179.03508	1.0
191.05554	2.4
191.07100	12.3
192.04266	0.2
192.05910	0.2
192.07474	0.6
193.05042	56.1
194.02576	0.2
194.05399	3.0
205.08685	8.0
206.09282	1.0
215.07332	0.2
221.04602	0.2
221.08186	1.7
235.06189	1.2
255.03052	0.3
265.07291	0.3
265.83920	0.2
283.02625	0.4
296.09061	1.6
311.11441	100.0
312.11774	8.1
313.11984	0.4
329.17596	0.7
330.18127	0.5
331.19223	70.7
332.19580	7.4
332.22601	0.1
349.20175	0.4
353.07248	0.2
371.86224	0.2
449.14548	0.2
643.31525	1.5
644.31653	0.3
669.29285	0.3
687.29907	0.5
805.37000	0.2
812.40393	0.2
865.35614	0.2
880.01471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67400	0.4
63.27621	0.4
63.50024	0.4
71.01264	1.2
71.57205	0.5
77.06565	0.4
78.95786	5.3
85.02820	0.6
89.02330	0.8
93.35972	0.4
99.04419	1.0
101.02380	0.5
110.98438	2.8
124.01516	0.5
152.99496	0.9
162.66611	0.4
167.01141	1.2
177.64725	0.4
185.02179	2.9
191.05603	0.5
209.11803	3.6
227.12952	0.7
245.96552	0.4
255.23393	2.1
279.23349	100.0
280.23718	9.1
389.97424	0.5
397.13547	1.7
415.14569	0.5
415.25180	0.6
429.22940	0.6
447.25256	45.1
448.25620	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	863.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30082	0.4
71.58218	0.6
78.95794	7.2
93.03352	1.9
96.95889	0.8
99.04444	0.6
105.03337	0.5
106.40830	0.4
110.98431	4.1
116.15125	0.5
135.04451	2.0
152.99518	0.9
161.02385	1.0
167.01085	1.3
169.63000	0.4
173.04524	0.6
179.03442	1.2
185.02182	3.5
191.05563	1.6
209.11827	0.7
213.42485	0.5
255.23297	0.8
279.23352	100.0
280.23679	8.2
447.25293	43.1
448.25522	4.2
701.36029	1.6
702.36072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99191	0.4
61.98715	0.9
67.01775	1.5
68.99694	0.5
69.03339	0.9
71.01275	10.4
72.99194	4.7
73.02826	1.0
75.00766	4.5
78.95763	0.5
81.03391	0.4
83.01275	2.9
85.02843	5.1
87.00780	10.5
88.98667	0.6
89.02348	2.6
93.03349	2.3
97.02862	1.1
98.19743	0.8
99.00781	1.9
100.78794	0.4
101.02350	1.7
102.67854	0.3
103.00291	3.1
105.01844	54.9
106.02180	1.0
111.00787	5.5
113.02356	0.9
115.00282	0.5
115.03938	2.6
119.04948	1.4
121.02851	1.5
123.08082	0.4
127.07588	0.5
129.01871	17.6
130.02194	0.6
132.02087	0.4
133.02924	1.9
134.03670	65.9
135.03915	2.4
137.02379	10.3
139.03947	4.2
147.02939	9.1
147.04330	0.7
149.02357	0.7
149.06032	23.1
150.03154	1.3
150.06339	1.3
151.07513	0.6
160.01605	3.8
161.02051	0.4
161.09677	0.6
163.03925	1.2
163.11244	0.9
165.01852	0.5
167.03464	0.5
168.03842	0.4
173.04482	0.6
174.06813	1.1
175.03955	6.2
176.04712	1.6
177.04010	26.7
178.02684	40.2
179.03081	2.0
191.05562	4.6
191.07127	6.0
193.05040	100.0
194.05379	5.3
195.05205	0.7
195.06602	2.5
202.02531	0.4
203.03491	0.4
205.08708	3.6
217.05077	0.8
219.06526	0.7
220.03912	0.4
221.04616	0.5
229.22076	0.4
233.08191	2.3
235.06134	3.2
236.06476	0.4
241.05112	1.4
256.07455	1.1
265.07083	0.9
271.09851	2.5
288.13287	0.4
305.06689	0.9
311.11548	1.7
312.12012	0.4
323.07776	2.4
329.17722	0.9
331.19229	27.0
332.19611	2.9
347.18665	1.0
349.20108	0.5
353.08859	18.5
354.09256	1.4
355.11322	0.6
357.11951	0.5
372.14719	0.4
373.12924	0.8
643.22614	1.6
687.30487	0.8
799.30994	0.5
865.35187	62.5
866.35541	16.8
866.49243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01764	0.2
68.99703	0.3
69.03336	0.9
71.01271	17.2
71.09561	0.4
72.01578	0.2
72.99193	1.9
73.02840	2.4
75.00768	0.4
80.02571	1.0
80.96435	0.2
81.03351	1.8
83.01274	2.0
83.04912	5.0
84.02059	0.9
85.02847	4.0
87.00290	0.4
87.00778	4.0
87.88837	0.2
89.02342	13.0
91.03898	0.4
93.03342	0.3
94.48414	0.2
95.01284	1.3
95.04932	0.9
97.02856	3.0
97.06523	0.2
99.00761	0.9
99.04430	0.3
101.02352	12.1
109.02898	0.4
109.06508	0.2
111.00796	0.3
111.04392	0.5
113.02366	6.9
115.03934	0.4
119.03417	3.3
121.02880	0.5
124.01612	0.4
125.02374	6.1
125.05991	0.5
125.09673	0.3
127.03927	0.4
131.03419	0.7
133.04964	0.4
135.08101	0.5
139.03969	0.5
141.01639	5.2
143.03447	2.7
145.05009	0.4
149.04498	0.4
161.04498	3.5
163.11220	3.9
165.12827	2.3
167.03485	0.4
179.05574	3.8
181.12276	0.6
185.04536	0.4
191.10757	0.8
199.06061	0.4
203.05574	0.3
209.11823	100.0
209.53218	0.2
210.12167	5.9
217.07213	0.9
221.06667	0.9
227.12897	13.0
228.13226	0.6
235.08247	4.9
245.06721	0.3
247.09317	0.2
251.12881	0.3
253.09358	1.0
255.23341	55.8
256.23685	4.7
259.08328	0.3
263.07874	0.3
269.24927	0.7
287.07739	1.4
297.24435	0.2
305.08856	2.0
323.09805	1.2
361.11438	0.2
379.12543	8.9
380.12784	0.7
397.13611	40.9
398.13962	3.3
415.14700	7.8
416.15042	0.6
437.01712	0.2
474.95810	0.2
589.25208	0.9
607.26520	0.8
635.36792	0.8
653.37885	2.0
654.38251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77399	0.2
61.98731	0.5
70.34049	0.2
71.01274	4.0
71.11073	0.3
71.11413	0.5
73.02834	1.3
81.03349	0.3
85.02846	1.0
87.00755	0.2
89.02329	1.9
89.02762	0.2
89.03858	0.3
93.03377	0.4
95.04904	0.3
96.95936	0.3
97.02837	0.4
97.06541	0.3
101.02351	2.8
102.36195	0.2
106.04178	0.2
109.02856	0.3
113.02365	0.7
117.01870	0.4
117.03377	1.4
119.03446	0.4
119.04965	0.3
121.02942	0.5
122.03656	1.5
123.04456	0.3
124.85700	0.2
125.02486	0.2
131.03450	0.3
132.02115	2.1
133.02884	0.9
133.04993	0.6
134.03670	63.9
135.03987	2.4
135.08089	0.3
137.02386	3.0
139.03976	1.0
149.06029	16.7
150.06369	0.7
151.03957	0.3
151.06059	4.0
160.01608	17.7
161.02016	0.7
161.04584	0.2
161.09688	0.5
163.03909	0.3
173.09807	0.4
175.03970	21.4
176.04369	0.9
177.59259	0.2
178.02682	10.1
179.03299	0.6
187.11304	0.8
189.05476	0.3
189.12825	13.7
190.13162	0.8
191.05553	0.6
191.07124	3.2
193.05042	72.4
194.05376	3.4
205.08698	9.9
206.09097	0.7
207.10300	0.5
209.11835	0.3
235.06119	0.9
237.14952	0.3
243.14020	0.5
269.19171	2.0
285.18506	0.3
286.08020	0.2
311.11417	0.3
313.18167	100.0
314.18512	10.1
327.10925	52.9
328.11282	3.4
329.17609	0.3
331.19223	0.7
369.09790	0.5
371.11588	0.2
399.92523	0.2
463.25198	0.2
505.26364	0.3
523.27509	0.2
536.26111	0.3
625.30359	3.6
626.30823	0.5
641.30261	0.6
651.28076	0.5
669.29492	1.0
887.55444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	0.5
63.17216	0.2
67.01810	0.2
71.01270	2.0
71.04910	0.7
71.60727	0.2
73.02821	1.5
78.95844	0.2
81.03360	1.1
83.01273	0.3
85.02848	4.3
86.03198	0.2
87.00735	0.3
89.02328	0.9
93.03367	1.1
94.03721	0.2
96.95924	0.5
97.02887	0.3
99.00774	0.4
99.04408	0.3
101.02379	1.0
103.03932	0.7
105.03305	0.2
107.04926	0.2
109.02852	0.4
115.03939	0.3
117.03378	0.8
117.05493	0.8
119.04933	0.4
121.02831	0.2
121.06537	0.2
123.02718	0.2
123.07173	0.4
123.08080	7.2
124.08439	0.2
127.07612	0.2
132.02107	3.2
133.02884	2.4
134.03670	46.0
135.04056	1.7
135.06560	3.3
136.01541	0.2
137.02390	1.0
139.03922	0.3
145.02931	0.2
147.04471	0.3
148.05237	0.4
149.06027	18.1
150.03203	0.2
150.06348	0.9
160.01607	27.3
161.01953	1.6
161.09641	0.6
163.03955	0.3
173.04510	0.7
175.03969	37.6
176.04332	1.6
177.01907	0.9
177.05351	0.2
178.02690	1.3
179.03453	1.1
189.09215	0.5
191.05556	3.1
191.07135	4.9
192.04311	0.2
192.05917	0.4
192.07516	0.3
193.05037	48.4
194.05368	2.8
195.06525	0.2
205.08691	5.0
205.12306	0.5
206.09148	0.4
207.10188	0.2
221.08188	0.5
235.06078	0.7
245.11909	0.3
285.04172	0.2
285.18677	0.5
296.09137	1.3
303.19849	0.3
311.11435	100.0
312.11774	8.3
317.99182	0.2
329.17654	36.6
330.18021	4.0
347.18604	1.7
371.18652	0.4
389.19772	0.3
411.74088	0.2
641.29980	0.7
685.28986	0.3
863.36011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98722	1.5
67.01779	1.4
69.03347	0.9
69.38767	2.9
69.39191	0.9
69.90005	0.4
71.01272	13.0
71.04919	1.1
72.52340	0.4
72.99201	6.3
72.99595	0.7
73.02822	1.4
75.00762	5.4
76.01145	0.4
79.95612	0.5
83.01275	3.7
83.04917	0.5
83.22651	0.4
85.02850	6.9
87.00773	13.3
89.02332	3.6
93.03365	5.2
96.95919	0.8
97.02850	2.1
98.19785	0.6
99.00787	1.8
101.02361	2.4
103.00276	4.1
105.01847	63.7
106.02185	1.3
106.04150	0.5
107.04990	0.4
108.02045	0.6
109.02867	1.3
111.00782	6.3
111.04429	1.3
113.02360	1.3
115.00293	1.7
115.03921	2.6
116.92784	1.8
117.01831	0.6
117.03416	0.5
119.04971	2.1
121.02882	1.6
121.06551	0.6
123.04459	0.7
123.08080	7.9
125.02338	0.4
129.01866	18.8
130.02187	0.5
131.03450	0.7
133.02873	2.8
134.03674	65.8
135.04358	2.9
136.01549	0.5
136.05191	0.4
137.02385	10.5
139.02928	0.7
139.03937	3.6
143.04970	0.9
145.02917	1.2
147.02945	8.5
147.04463	1.3
148.05246	1.0
149.02330	1.0
149.06029	22.4
150.03201	1.6
151.03957	1.0
155.03439	0.5
159.03096	0.6
160.01601	3.4
161.02373	1.2
163.04013	1.2
163.07571	0.5
165.05508	0.5
173.04552	3.1
173.05901	0.7
174.04984	0.5
174.06796	1.1
175.02440	1.5
175.03995	6.2
176.04738	1.5
177.02066	1.0
177.04010	28.6
178.02687	36.2
179.03142	1.5
179.07095	0.5
189.09209	1.3
191.05591	11.0
191.07167	7.6
192.04282	0.6
192.05917	1.0
192.07547	0.5
193.05042	100.0
194.05357	4.4
195.05064	1.2
195.06729	0.8
201.04028	0.5
205.08704	5.4
206.09123	0.5
207.06644	1.0
217.05084	1.2
221.08293	0.9
233.08199	2.1
235.06113	2.7
265.07254	0.9
285.04208	0.5
305.06894	0.7
323.07843	1.4
327.08514	0.5
329.17673	28.6
330.18149	2.6
331.19339	0.8
343.21301	0.7
343.40237	0.4
347.18741	1.7
349.09546	1.1
353.08875	22.1
354.09195	1.5
356.69254	0.5
371.10046	0.8
469.14246	0.4
491.21808	0.6
518.83087	0.5
529.48181	0.4
533.15015	0.8
629.27283	0.5
643.22528	2.9
644.23663	0.6
685.28320	1.2
797.31793	0.7
863.33679	69.0
864.34039	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43533	0.1
63.02271	0.9
65.00188	0.7
65.26986	0.1
71.01263	0.2
71.55875	0.1
73.02828	0.1
78.95779	0.1
83.01254	0.4
85.02839	0.1
89.00237	0.2
89.02316	0.2
91.01788	0.1
93.03347	0.2
95.01318	0.1
96.95895	0.3
105.03397	0.1
107.01300	1.1
108.02091	0.2
109.02841	1.3
115.05456	0.2
117.03399	0.1
119.01318	0.2
119.04930	0.1
120.99537	0.1
121.02870	0.3
127.07585	0.1
131.04974	0.2
133.02873	2.7
134.03604	0.1
135.00816	0.4
135.04453	0.7
136.04832	0.1
137.02298	0.1
143.04967	1.0
144.05243	0.1
145.02881	0.3
147.00858	0.4
147.04449	0.2
147.49876	0.1
149.02367	0.3
151.00308	1.7
155.04901	0.4
157.02885	0.7
159.04446	0.3
160.98711	0.1
161.02390	1.6
161.06149	0.1
163.00305	0.2
169.01440	0.2
169.02927	0.2
170.03604	0.1
171.04468	2.5
173.02361	0.5
173.04523	0.1
174.02922	0.1
175.03960	1.3
178.99808	0.3
179.03493	0.3
182.03674	0.1
183.04514	0.5
185.02402	0.2
187.03983	1.3
188.04309	0.1
189.05544	0.2
191.05608	0.6
191.07124	0.1
195.06630	0.1
197.02489	0.4
198.03218	0.6
199.03981	6.0
200.04311	0.4
201.01913	1.6
202.02245	0.1
203.03462	0.5
207.06580	0.1
213.01772	0.2
214.02722	0.3
215.03491	2.6
216.03964	0.2
225.01950	0.3
226.02716	1.0
227.03479	3.0
228.03758	0.2
229.01451	0.2
231.02942	0.1
241.01443	0.3
242.02284	0.7
243.03012	3.9
243.67508	0.1
244.03380	0.2
245.30432	0.1
254.02271	0.1
255.03015	1.1
270.01657	0.2
271.02524	43.0
272.02869	3.2
272.05222	0.1
282.01624	0.4
298.01294	0.1
299.02017	100.0
300.02380	8.5
301.03525	1.0
313.03528	0.3
314.04184	0.1
331.19220	0.2
332.19452	0.1
332.98322	0.1
335.33929	0.1
339.05142	0.1
349.20288	0.2
350.20715	0.2
563.18060	0.6
747.37292	0.1
868.14972	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	863.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	0.2
63.02267	0.9
65.00201	0.6
66.25096	0.1
77.03475	0.1
78.95751	0.1
83.01273	0.3
89.00209	0.2
93.03341	0.2
96.95904	0.3
98.19806	0.3
100.72257	0.1
101.03831	0.1
107.01296	0.9
108.02100	0.1
109.02847	1.0
115.05432	0.2
119.01301	0.2
120.17419	0.1
123.04401	0.1
131.04990	0.2
133.02882	2.7
135.00789	0.4
135.04454	0.2
142.38118	0.1
143.04959	0.7
145.02904	0.4
147.00810	0.4
147.04414	0.3
149.02385	0.1
151.00319	1.2
153.03337	0.1
154.04124	0.1
155.04933	0.4
157.02910	0.7
159.04462	0.3
161.02399	1.7
161.06096	0.1
162.02788	0.1
163.03926	0.2
169.01445	0.1
169.02866	0.1
170.03598	0.1
171.03027	0.1
171.04465	2.2
173.02379	0.7
175.00371	0.1
175.03961	1.4
178.99785	0.2
179.03389	0.1
182.03677	0.1
183.04430	0.3
185.02451	0.2
187.03969	1.2
189.01909	0.1
189.05632	0.2
191.05534	0.3
197.02504	0.5
198.03168	0.6
199.03993	5.5
200.04297	0.5
201.00081	0.2
201.01910	2.4
202.02199	0.1
203.03519	0.5
203.05077	0.1
211.03844	0.1
213.01979	0.3
214.02621	0.3
215.03494	2.2
215.05513	0.1
216.03827	0.2
225.01981	0.3
226.02718	0.9
227.03496	2.6
228.03743	0.2
229.55704	0.1
241.01418	0.2
242.02245	0.5
243.03009	3.0
244.03325	0.3
255.02986	0.8
271.02536	40.3
272.02866	3.4
273.03107	0.3
282.01770	0.3
299.02032	100.0
300.02386	9.3
301.03067	0.9
517.20691	0.3
519.22601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88525	0.8
67.32090	0.8
67.40682	0.9
69.03325	1.9
71.01275	31.5
71.26114	0.8
72.99198	2.3
73.02831	4.9
77.33105	0.7
80.02543	0.9
80.96413	0.9
81.03351	3.1
82.81456	0.7
83.01273	2.8
83.04910	3.4
85.02845	7.4
86.36299	0.9
87.00777	7.3
89.02343	23.7
93.03329	1.2
95.01304	2.1
95.04926	1.3
97.02853	13.4
97.89009	0.8
99.00790	3.9
99.04453	1.2
101.02348	18.0
107.95933	0.8
109.02893	0.9
109.06505	31.4
110.03641	1.0
110.06892	1.4
111.04427	1.3
113.02367	11.2
119.03437	5.9
121.06516	2.1
123.04402	1.1
125.02364	7.0
131.03439	1.1
133.05035	0.9
135.08086	4.9
136.05260	2.4
138.80589	1.0
141.01854	2.0
142.02637	3.0
143.03430	2.9
161.04489	3.6
161.09709	1.2
163.11249	18.0
164.11510	1.0
179.05563	4.3
179.10678	1.4
181.12302	3.9
189.09213	2.8
207.10263	100.0
208.10616	5.8
209.11859	2.0
221.06717	2.7
225.11348	37.5
226.11757	2.3
235.08276	6.6
243.12381	1.8
253.09177	1.3
255.23352	83.2
256.23666	6.2
263.07712	0.8
287.07700	1.7
291.19818	1.0
294.04691	0.9
299.15048	1.5
305.08817	1.8
323.10040	1.6
379.12512	6.6
380.12961	1.2
397.13632	48.1
398.13617	4.0
401.27161	2.2
415.14752	11.1
416.15231	1.1
449.37842	0.9
455.35336	1.3
456.35754	3.9
457.36246	3.9
458.36179	4.1
587.23700	1.3
605.25049	6.0
614.97906	0.9
623.25690	2.6
653.37177	2.6
843.48358	1.1
861.48737	50.5
862.49030	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	861.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98397	0.3
63.43124	0.2
71.01268	0.7
71.04901	0.3
74.92664	0.2
81.03347	0.2
83.01286	0.2
85.02844	0.7
89.02327	0.4
92.08777	0.2
93.03363	0.5
95.01308	0.2
96.42168	0.2
97.02856	3.6
97.06480	0.6
98.20573	0.5
101.02360	0.4
109.02880	0.7
109.06512	0.3
113.02357	0.5
113.58972	0.2
119.03415	0.3
119.04937	0.2
121.06469	0.5
123.08061	1.0
125.09660	0.2
127.07574	23.9
128.07909	0.6
134.03656	0.4
135.04390	0.2
147.08081	1.5
149.06120	0.2
151.03865	0.2
159.79457	0.2
160.01746	0.2
161.09676	2.9
162.09991	0.3
163.04016	0.2
163.07637	0.3
163.11243	2.4
163.91489	0.2
165.03835	0.2
165.05493	0.3
165.09200	0.8
169.12201	0.2
173.04477	0.5
179.05608	0.2
179.10684	0.3
187.07632	0.4
189.05600	0.2
191.05595	1.0
191.07111	12.9
192.07489	0.8
193.05063	0.3
203.14404	1.1
205.08696	11.3
206.09274	0.9
207.10202	1.2
221.08167	1.5
224.10634	0.4
229.97670	0.2
256.09595	0.4
269.19183	1.3
285.18802	0.4
287.20285	0.6
305.20926	0.3
313.18185	8.9
314.18369	1.0
331.19223	53.5
332.19571	5.1
349.20282	100.0
350.20612	10.3
373.20032	1.0
391.21320	0.8
392.22006	0.2
602.66931	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01694	0.2
67.75661	0.2
69.03265	0.3
70.59888	0.5
71.01155	2.7
71.01580	0.4
71.04834	0.3
71.16674	0.2
72.99113	0.4
73.02736	0.4
73.57030	0.2
74.41279	0.2
78.95691	0.2
83.01205	0.3
85.02721	1.0
87.00726	0.3
89.02213	2.4
93.03236	0.9
95.01199	0.2
96.95774	0.2
97.02731	2.9
97.06351	0.5
99.00669	0.3
101.02218	1.2
107.01195	0.2
109.02744	0.7
109.06392	0.2
111.00715	0.2
111.04325	0.3
113.02222	1.3
119.03280	1.3
119.04764	0.2
123.08075	0.9
125.02224	0.2
127.07575	18.8
127.08902	0.5
128.07745	0.7
131.03203	0.2
133.02782	0.3
134.03549	0.4
135.04297	0.7
137.02225	0.2
143.03325	0.4
147.08075	1.0
151.00174	0.6
156.74428	0.2
161.02197	0.5
161.04372	0.5
161.05687	0.2
161.09705	2.4
161.10931	0.4
162.09871	0.2
163.03865	0.4
163.07451	0.3
163.10045	0.2
163.11212	1.9
165.09196	1.1
169.12299	1.9
173.04388	0.8
173.05702	0.2
177.01772	0.2
178.99721	0.3
179.03334	0.6
179.05423	2.0
179.10623	0.4
187.07391	0.3
191.05475	2.6
191.07101	10.3
192.07373	0.5
193.04875	0.6
195.06357	0.2
199.03979	0.2
203.14281	0.7
205.08701	9.2
206.09070	0.7
207.10345	1.2
211.02464	0.3
219.10362	0.2
221.08189	1.3
224.10515	0.3
242.02188	0.2
245.00847	0.3
256.09479	0.2
269.19125	1.1
270.01791	0.2
271.02515	0.5
285.18594	0.6
287.20209	0.6
299.01938	1.2
300.02658	0.4
301.03510	0.3
305.21173	0.3
313.03668	1.9
313.18210	7.4
314.04086	0.6
314.18567	0.7
331.19235	51.4
332.19580	5.0
349.20297	100.0
350.20645	10.1
353.08719	0.4
355.19507	0.2
373.20221	1.1
391.21506	0.8
518.94434	0.2
736.34100	0.3
861.34540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98382	0.1
66.77358	0.1
69.03329	0.3
71.01276	0.6
71.04916	0.3
71.56985	0.1
71.57441	0.1
75.00764	0.2
78.95787	0.1
81.03357	0.3
82.08892	0.1
83.01311	0.1
85.02843	0.6
87.00783	0.2
89.02332	0.3
93.03353	0.4
95.01289	0.3
95.76867	0.1
97.02856	4.7
97.06499	0.6
99.00763	0.3
101.02352	0.4
105.06997	0.2
107.04890	0.2
109.02857	1.2
109.06479	0.2
111.04411	0.2
113.02359	0.8
119.03452	0.2
119.04929	0.2
121.06535	0.3
123.04460	0.2
123.08083	1.2
127.07572	16.7
128.07913	0.7
134.03636	0.2
135.04449	0.2
135.08046	0.2
137.02394	0.4
137.09663	0.1
145.06587	0.1
146.07262	0.2
147.04373	0.1
147.08104	0.6
148.08540	0.1
149.09732	0.1
155.66185	0.1
161.02417	0.2
161.04486	0.1
161.09694	0.5
163.03941	0.3
163.11253	0.4
165.05501	1.7
165.09180	1.0
173.04570	0.2
177.09157	0.3
179.10728	0.2
180.11452	0.1
184.36710	0.1
187.07605	0.1
189.09187	0.2
189.12834	0.3
191.05600	1.1
191.07117	10.7
192.05919	0.2
192.07458	0.5
193.05031	0.3
203.14421	2.4
204.14740	0.1
205.08699	8.0
206.09383	1.3
207.10265	1.6
208.10526	0.1
209.08192	0.2
219.06602	0.1
221.08223	1.8
221.15440	0.3
222.08598	0.2
224.10527	0.3
256.09418	0.3
259.13504	0.1
269.19153	1.1
271.17117	0.3
271.59793	0.1
283.17090	0.2
285.18732	0.5
287.20233	0.4
303.19501	0.1
305.21405	0.4
313.18182	10.8
314.18466	1.3
319.20242	0.1
331.19223	51.2
332.19562	5.5
347.18607	0.3
349.20276	100.0
350.20612	10.6
363.22107	0.2
373.20395	0.8
374.20773	0.2
391.21484	0.9
392.22092	0.2
511.26074	0.2
625.19135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01601	4.2
61.98710	2.7
69.03342	1.2
69.49957	1.4
69.50366	3.9
71.01273	40.6
72.99183	2.4
73.02842	9.2
78.95789	0.8
81.03351	0.7
83.01276	4.4
85.02846	21.2
87.00773	2.1
87.86748	0.5
89.02344	13.3
93.03363	3.8
95.01301	3.3
96.95905	1.5
97.02836	1.0
98.20526	1.2
99.00776	5.0
101.02345	26.2
102.02646	0.9
113.02361	17.0
119.03443	4.5
119.04909	1.7
125.02372	0.8
125.83294	0.7
129.01837	0.8
131.03462	0.8
133.02946	1.0
134.03671	2.2
135.04445	1.1
137.02328	1.0
143.03427	1.0
150.03128	0.7
159.02933	1.9
160.01607	0.8
161.02403	1.2
161.04512	11.6
163.03922	1.6
173.04504	3.6
179.03513	0.9
179.05493	0.6
191.05583	10.0
193.05084	2.0
195.13899	4.9
213.14941	2.7
229.01369	1.2
237.18654	0.7
283.02585	0.9
302.32120	0.7
331.19269	0.7
353.06357	0.6
375.20319	100.0
376.20654	9.6
381.22797	1.5
399.24017	20.1
400.24368	2.2
441.25043	38.1
442.25433	5.1
485.23849	1.4
523.29413	2.6
524.29132	0.8
600.23676	0.8
632.66815	0.8
830.86407	4.3
831.36993	0.8
831.87769	0.8
861.35266	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	861.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	0.5
62.74455	0.2
71.24683	0.2
71.25015	0.4
84.29200	0.2
85.02872	0.5
88.98690	0.3
89.03410	0.2
89.03831	1.1
92.96668	0.2
93.03333	0.3
95.24321	0.2
96.95906	0.3
97.02843	0.3
99.04409	0.3
117.03365	3.1
119.04941	0.6
122.03657	0.3
133.02913	0.3
134.03664	38.2
135.04021	0.9
147.04410	0.5
149.06029	2.7
161.02336	0.4
173.09671	0.2
189.05582	0.3
189.12817	4.3
190.13194	0.3
191.05568	0.5
191.07115	1.0
193.05032	31.3
194.05392	1.8
199.03973	1.0
200.04802	2.2
205.08685	3.8
207.10249	0.4
210.03178	0.7
211.03993	1.5
212.04681	0.3
225.05602	0.3
227.03505	2.7
228.04269	7.6
229.04671	0.4
239.03558	0.9
240.04179	0.6
243.06616	2.9
255.03131	0.3
256.03812	12.1
257.04132	0.6
269.19257	0.6
270.05313	0.3
271.06174	58.3
272.06543	3.8
285.07712	0.8
286.08533	42.2
286.59848	0.2
287.08862	3.0
300.10071	0.7
301.10870	100.0
302.11218	7.3
302.14716	0.4
313.18167	28.1
314.18484	2.5
331.19116	1.6
385.13007	44.6
386.13400	4.5
547.18549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.357
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99187	2.7
61.98708	0.8
65.03843	0.3
67.01775	6.3
68.06452	0.3
69.03341	1.9
69.47138	2.2
71.01270	8.8
71.56227	0.3
72.01608	0.5
72.68291	0.4
72.99197	0.6
73.02834	1.9
78.95805	0.9
81.03364	1.6
83.01296	0.8
83.04914	1.3
85.02841	10.2
85.46737	0.3
87.00768	11.2
89.02335	3.9
93.03358	47.3
94.03696	1.0
95.01297	0.8
96.95904	2.4
99.00774	1.6
99.04404	0.7
100.00272	0.3
101.02360	3.8
101.37663	0.3
108.02084	0.3
109.02864	1.4
111.00786	0.7
111.04426	6.6
113.02349	4.5
115.03945	0.5
119.03388	0.9
119.04951	0.6
121.02855	0.5
123.04361	0.4
125.02348	0.6
127.03949	2.2
127.07567	0.7
129.01886	1.8
133.02870	0.5
134.03667	16.0
135.04401	1.1
136.36821	0.3
137.02377	3.4
139.03949	0.7
143.03409	0.7
149.06029	5.2
150.03162	0.3
153.01852	0.4
155.03458	1.7
159.02904	0.3
160.01601	0.8
161.04489	1.6
161.09712	0.3
163.03883	0.4
163.11174	0.3
171.02951	0.9
173.04515	13.5
173.06017	0.8
175.03989	1.5
178.02675	9.4
179.03287	0.9
182.93802	0.3
191.05583	100.0
192.05927	3.0
193.05034	19.9
194.05362	0.9
205.08621	0.8
209.11896	0.7
253.08946	0.3
277.90796	0.3
315.18134	1.0
329.17545	0.5
331.19064	1.9
349.20126	0.8
355.21231	1.1
357.19208	0.5
367.10391	6.7
368.10754	0.4
369.09851	0.6
373.22403	4.1
374.22672	0.4
391.05826	0.4
391.15356	0.3
409.11362	1.2
415.23517	10.5
416.24301	0.6
437.17981	0.6
439.32278	0.4
458.45029	0.3
490.43167	0.4
511.14615	0.6
528.12946	0.4
529.15594	2.4
551.02704	0.4
639.23254	2.5
640.23450	0.7
749.84204	1.0
750.33600	0.4
788.31702	0.7
795.31610	0.6
830.87708	0.5
831.38086	0.4
851.19812	0.4
861.35638	56.6
861.84332	1.2
862.36023	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	861.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37645	0.5
71.01278	1.7
73.02850	0.7
80.11193	0.1
83.01277	0.4
85.02859	0.6
87.00800	0.2
89.02340	0.3
93.03391	0.4
95.01293	0.5
96.95923	0.2
97.02859	0.5
99.00741	0.2
101.02357	1.2
113.02370	0.6
119.05026	0.2
121.02923	0.1
123.04505	0.2
125.02393	0.3
129.01994	0.1
137.02391	0.2
149.05988	0.2
151.03938	1.7
153.05530	2.4
161.04497	0.8
163.03937	0.2
181.05037	51.4
182.02094	0.2
182.05376	2.5
191.05577	0.8
194.05722	0.2
195.06659	0.4
196.07396	50.6
197.04739	0.2
197.07735	2.7
197.09540	0.2
209.08316	0.2
211.09761	100.0
212.08081	0.3
212.10097	5.5
228.54097	0.1
257.55389	0.1
265.47659	0.1
268.62625	0.1
269.10333	0.7
387.16629	0.3
401.14642	5.3
402.15179	0.4
415.16116	0.4
836.09753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99191	3.7
61.98710	2.0
67.01779	11.6
69.03349	3.9
71.01273	7.1
71.60596	0.9
72.99178	0.5
73.02836	1.6
77.09565	0.5
78.95803	1.4
80.28149	0.5
81.03366	2.4
83.01270	1.0
83.04926	1.7
85.02840	4.3
86.37241	0.5
87.00773	15.5
89.02332	1.4
93.03362	77.6
94.03716	2.6
95.01271	0.6
96.95917	1.5
99.00824	2.4
99.04453	1.3
101.02354	2.4
105.03392	0.7
109.02865	1.7
111.04441	11.0
113.02352	3.7
115.03905	0.8
119.04943	2.0
121.02872	1.1
122.03699	0.5
123.04464	0.7
127.03913	0.7
129.01852	2.4
132.02058	0.7
133.02876	2.9
134.03668	16.2
135.04480	4.8
137.02383	1.6
143.03394	1.2
145.02921	1.3
147.04419	1.7
148.05243	93.6
149.05574	17.1
150.03140	0.8
150.05800	2.3
151.00253	0.7
151.03941	0.6
155.03447	3.9
159.04497	0.6
160.01596	1.5
161.02454	4.8
161.04460	0.7
162.03185	12.4
163.03900	1.6
163.07600	98.3
164.07933	19.2
165.05554	0.7
165.08144	3.6
173.04515	36.6
174.04852	1.6
174.77678	0.4
178.02652	1.0
179.03456	2.1
191.05591	16.4
192.05948	1.3
193.05023	1.3
199.54906	0.7
202.08719	1.0
217.84865	0.5
229.01398	0.8
231.10371	3.9
233.09435	1.1
234.69246	0.5
241.01109	1.1
257.08246	0.7
261.05396	1.3
267.06796	0.6
275.09323	31.6
276.09698	2.3
302.34216	0.6
331.19305	1.6
352.08188	0.6
367.14313	1.4
367.74503	0.6
368.14374	1.1
417.15417	0.7
423.09656	0.6
447.22214	0.7
448.22842	0.8
449.14639	100.0
450.14984	12.1
489.23514	1.8
493.24637	1.3
507.24268	0.9
523.29327	1.3
528.12756	0.9
764.68195	0.6
861.35480	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99191	2.0
65.03857	0.4
67.01774	6.3
68.84711	0.3
69.03339	1.8
71.01263	3.6
71.04906	1.2
71.28432	0.5
72.99198	0.4
73.02831	0.4
81.03355	1.8
83.01275	0.4
83.04907	1.2
84.84418	0.3
85.02843	7.7
86.55082	0.3
87.00772	10.7
88.01099	0.3
89.02328	0.6
93.03358	47.4
94.03701	1.6
96.95906	1.9
97.02866	0.4
99.00772	1.2
99.04370	0.6
101.02351	0.9
108.02065	0.5
109.02876	1.8
111.00768	1.6
111.04429	6.5
113.02364	1.6
115.03932	0.5
121.02855	0.5
121.06525	0.3
123.08065	1.3
125.02388	0.5
127.03932	2.2
127.07561	0.8
129.01862	1.7
133.02890	0.9
134.03664	19.0
135.04507	2.6
135.87755	0.3
136.01656	0.3
137.02373	4.0
139.03915	0.9
143.03467	0.3
145.02852	0.3
148.05225	0.2
149.06024	5.6
150.03165	0.5
150.06357	0.4
151.00304	0.3
153.01810	0.4
155.03447	2.2
157.21628	0.3
160.01620	0.8
161.02373	1.3
161.04440	0.3
163.03969	0.6
166.87192	0.3
171.02937	1.0
173.00995	0.6
173.04506	14.2
174.04829	0.3
175.03955	1.5
178.02663	9.1
179.03441	1.6
179.05792	0.3
189.09195	0.8
191.05583	100.0
192.05930	3.4
193.05035	20.1
194.05365	0.9
195.06656	0.3
203.96536	0.3
205.08665	1.2
211.16249	0.3
215.84985	0.3
218.18478	0.3
271.02557	1.5
299.02011	3.2
300.02481	0.7
313.03732	0.3
319.13251	0.3
329.17651	1.9
347.18851	1.7
353.08960	0.8
367.10416	6.5
368.10684	0.9
409.11462	1.6
424.91449	0.3
439.32501	0.3
509.29504	0.3
511.15076	1.2
529.15680	6.7
530.15814	0.7
639.23230	3.5
685.29254	0.4
696.48096	0.3
736.26062	0.5
788.31366	1.2
829.36023	0.4
829.86084	0.3
859.34113	44.5
860.34473	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	859.342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98722	2.0
63.57639	0.3
64.96510	0.3
71.01273	1.8
72.99200	0.3
73.02837	0.6
81.03361	0.9
85.02867	1.4
87.00773	0.4
88.98675	0.4
89.02356	0.9
90.41831	0.3
93.02764	0.3
93.03366	0.9
96.95928	1.4
97.02864	0.4
98.20700	0.5
99.00829	0.3
101.02396	0.8
105.03374	0.3
109.02879	0.4
109.06507	0.5
111.04465	0.9
113.02398	0.7
117.03401	0.7
119.04934	0.5
123.04451	0.5
125.02373	1.8
132.02119	1.4
133.02890	29.3
134.03621	1.1
135.04465	12.4
136.04852	0.3
137.02336	0.5
151.07599	6.7
152.07971	0.8
159.04453	0.5
160.01671	0.4
161.02405	100.0
162.02736	4.3
173.04501	0.4
178.02690	0.4
179.03470	9.2
191.05588	1.8
191.07164	0.4
193.05037	0.3
195.06633	21.9
196.06993	2.7
197.07140	0.6
200.95639	0.3
209.08179	1.0
219.06627	3.6
220.07022	0.3
237.07727	1.4
238.07883	0.4
317.21182	0.5
327.10684	0.3
331.19281	0.6
357.12073	3.5
358.12384	1.0
365.18811	0.3
683.30896	50.9
684.31262	9.1
689.31970	8.3
690.32587	2.4
691.32275	2.5
815.35187	14.4
816.35382	3.6
859.32928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99191	4.7
61.98724	0.4
65.03855	0.8
67.01777	16.9
69.03350	3.9
69.96154	0.3
70.91595	0.3
71.01273	6.8
71.04906	0.5
71.58366	0.7
73.02834	0.7
75.00761	0.4
81.03347	3.3
82.03689	0.3
83.01295	0.4
83.04926	2.3
85.02848	6.0
87.00777	16.1
87.93291	0.3
89.02344	0.7
93.03360	100.0
94.03687	3.4
95.01273	0.5
96.95930	0.6
97.02876	0.7
99.00784	2.4
99.04426	1.3
101.02322	1.4
108.02069	0.4
109.02880	1.7
111.00791	0.4
111.04433	13.3
113.02358	1.6
115.03945	0.8
117.03372	0.3
118.99009	0.3
119.04936	2.4
121.02881	0.4
123.08078	2.8
127.03928	1.3
129.01875	1.6
131.73421	0.3
132.16656	0.3
133.02863	0.3
134.03670	16.0
135.04369	1.2
137.02390	2.3
139.03967	0.5
143.03398	0.5
145.02914	0.9
148.05261	1.3
149.06026	4.3
150.06302	0.4
153.01859	0.5
155.03439	3.4
160.01576	1.7
161.02251	0.5
163.03969	6.5
163.07599	1.0
164.04193	0.5
171.02975	0.6
173.04512	36.9
174.04846	0.9
175.03926	2.9
178.02676	6.0
178.06300	4.6
179.03305	0.7
189.09148	0.3
191.05586	78.5
192.05902	3.1
193.05031	18.2
193.08681	9.4
194.05403	1.6
194.08942	0.4
205.08685	2.6
285.04196	0.6
285.77145	0.3
327.10938	10.5
328.11285	2.2
329.11688	0.8
329.13528	0.3
329.17639	6.2
330.17975	0.8
331.19247	1.8
332.19351	0.4
337.09491	0.3
341.11200	0.4
347.18848	0.6
350.15482	0.4
367.10394	6.6
368.10907	0.6
409.11188	0.4
529.15668	6.0
530.16077	0.5
639.22937	1.7
640.23938	0.3
859.34131	53.1
860.34479	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02289	0.4
65.00202	1.1
71.01267	0.5
71.55458	0.4
71.55800	0.3
78.95788	1.4
83.01279	0.8
83.66513	0.2
86.58931	0.3
93.03319	0.4
96.96873	0.7
101.02330	0.3
106.87574	0.3
107.01299	2.2
108.02080	0.4
109.02845	1.0
121.02876	2.3
133.02895	2.4
135.00839	0.3
135.04445	2.6
148.01624	0.6
149.02354	0.4
151.00307	11.6
152.00751	0.5
161.02382	7.2
162.02777	0.4
163.00279	1.8
164.01053	0.6
169.01399	0.5
178.99838	5.3
179.03453	1.8
180.00352	0.2
183.04495	0.3
187.03944	0.5
190.99823	0.5
191.05542	0.8
192.00574	0.4
193.01407	0.4
208.63318	0.3
211.03964	0.6
226.02808	0.6
227.03455	1.5
229.05042	0.5
233.09561	0.5
243.03030	4.5
244.03726	0.6
245.04544	0.9
254.02206	1.4
255.03011	16.2
256.03409	1.3
257.04492	0.3
271.02530	32.5
272.03018	3.3
273.04083	0.7
283.02386	1.5
299.02039	0.7
300.02811	74.2
301.03546	45.7
302.03888	3.8
323.07819	0.6
343.04691	0.6
401.15005	0.4
426.47906	0.3
463.08926	24.0
464.09207	2.8
625.12103	100.0
626.12433	16.9
751.53662	0.3
859.33289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	100.0
67.01775	0.6
70.69344	0.6
70.69676	0.8
71.01272	26.3
71.37740	0.4
72.99210	0.8
73.02843	0.6
83.01289	0.8
84.02075	0.8
85.02844	33.3
86.03194	0.8
87.00774	1.4
88.98730	0.5
89.02341	9.7
89.81255	0.4
93.03389	0.5
95.01291	13.7
96.95937	0.8
97.02891	0.6
99.00806	0.6
101.02348	0.9
103.20431	0.4
105.74942	0.4
113.02361	66.9
114.02726	1.5
116.92754	0.8
125.02400	0.8
131.03424	1.1
139.00316	1.0
143.03476	1.8
149.04523	1.0
161.02449	0.5
161.04503	9.5
161.05824	0.6
191.05588	1.2
209.11810	1.4
217.55235	0.4
255.02989	0.5
283.02530	1.5
311.10156	0.6
354.11203	0.5
439.32251	7.2
440.32620	1.3
491.97275	0.4
795.41925	66.8
796.42261	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	857.632
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42974	0.2
71.57233	0.4
75.82772	0.2
78.95770	0.4
82.65878	0.3
124.71269	0.3
136.19319	0.3
203.91580	0.3
217.62030	0.3
401.27029	1.8
402.27148	0.3
407.33328	0.8
455.35385	100.0
456.35748	15.3
471.39511	0.3
861.73376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20645	0.1
64.58039	0.1
69.03361	0.4
69.31627	0.1
69.32029	1.1
71.01262	0.3
71.04912	20.3
72.05241	0.3
72.36246	0.1
73.02835	0.2
75.00777	0.2
81.03356	0.3
83.04930	0.4
85.02848	1.2
87.00735	0.1
93.03365	0.2
93.07021	0.1
95.01319	0.1
95.04944	0.2
97.02856	5.3
97.06519	0.1
98.03202	0.2
99.04445	0.1
101.02349	0.2
105.06990	0.1
105.70001	0.1
107.04927	0.3
109.02867	1.3
109.06472	0.2
110.03654	0.1
111.04461	0.4
113.02364	0.2
119.03384	0.1
119.04969	0.2
121.06516	0.9
121.10126	0.1
123.08081	12.5
124.08421	0.4
125.09682	0.1
127.07576	8.7
128.07912	0.2
133.09158	0.1
133.10159	2.2
135.08109	0.1
141.57295	0.1
143.08646	0.1
145.10168	1.4
147.08058	0.2
149.09645	0.3
158.28804	0.1
159.11714	0.1
159.85394	0.1
161.04541	0.1
161.09692	1.0
163.04022	0.1
163.07602	0.1
163.11246	0.2
165.05521	0.6
165.09204	0.1
165.12775	0.1
173.04497	0.2
173.09563	0.1
175.07590	0.4
175.11186	0.2
177.09157	0.9
177.12830	0.7
179.10722	0.3
186.10506	0.2
189.09189	22.4
190.09528	1.1
191.05566	1.1
191.07106	4.8
191.08881	0.2
191.14410	0.4
192.07437	0.2
193.15985	0.2
201.12802	0.8
203.07166	0.2
205.08691	4.9
206.09233	0.4
207.10201	0.2
217.12431	0.2
217.15999	1.9
219.13916	4.1
220.14249	0.3
221.08191	0.8
223.09776	0.2
229.15961	0.1
231.13918	1.6
243.17609	0.8
245.11867	4.9
246.12218	0.4
257.11948	0.2
259.20685	1.0
261.15128	0.7
263.12936	8.3
264.13235	0.5
269.15417	0.2
273.14920	0.1
275.12970	3.6
276.13541	0.2
285.18738	1.1
287.13196	0.2
287.16556	0.4
303.19748	4.7
304.20044	0.6
329.17664	23.9
330.14359	0.2
330.18011	2.5
343.19357	0.1
347.18713	100.0
348.19052	9.7
361.20322	0.3
371.18750	1.7
383.18756	0.1
389.19821	1.2
401.19543	0.1
419.20685	0.2
542.18396	0.1
711.03735	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	857.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90399	0.2
68.85366	0.2
71.01282	2.1
71.59312	0.2
72.77296	0.2
72.99227	0.2
73.02852	0.8
83.01292	0.5
85.02839	1.0
87.00794	0.3
89.02354	0.6
93.03362	0.7
95.01255	0.3
96.95950	0.3
99.00793	0.6
101.02355	1.5
113.02359	0.9
119.04929	0.2
121.02900	0.5
122.03687	0.4
131.03380	0.2
134.03665	0.5
135.04474	1.3
137.02426	0.2
137.27019	0.2
143.03493	0.2
147.04471	0.9
148.05247	99.9
149.04495	0.5
149.05563	5.0
150.03191	0.3
151.62794	0.2
161.02417	0.4
161.04501	0.4
163.07605	100.0
164.07936	5.2
165.01933	0.4
165.05412	0.4
173.04533	0.4
176.04799	0.2
178.02629	0.2
179.03442	0.5
180.04233	0.2
191.05611	2.0
193.04994	0.5
194.05821	0.3
195.06616	0.6
203.05652	0.3
209.08153	0.4
211.07562	0.2
224.82425	0.2
275.09424	0.2
284.02988	0.2
307.01160	0.2
313.16647	0.5
367.14096	2.1
445.21002	4.0
446.21100	0.5
702.71027	0.2
797.46332	0.3
857.32123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02299	0.5
65.00237	0.5
71.01293	0.3
71.63008	0.6
78.95795	27.7
83.01280	0.4
85.02846	0.7
93.03367	1.2
96.96868	20.6
101.02312	0.4
107.01303	0.8
119.04929	2.3
120.05288	0.5
121.02876	0.4
134.03673	0.4
135.00731	0.3
135.04419	0.5
137.02397	0.6
138.05524	0.6
145.02901	0.4
147.04430	0.3
148.01601	0.4
151.00328	2.2
163.00285	0.5
163.03963	1.2
164.04269	0.4
173.04613	0.8
175.03941	0.4
181.27583	0.3
183.04494	0.6
191.05614	3.6
192.05780	0.4
199.03975	2.2
200.04501	0.4
201.01926	0.5
215.03473	1.4
217.05159	0.8
227.03473	3.2
227.62346	0.3
228.04111	0.4
233.09502	29.6
234.09863	0.9
242.02324	2.2
243.03026	17.3
244.03569	2.1
254.02182	0.6
255.03033	12.1
256.03366	0.7
257.04681	2.7
259.06055	0.6
270.01822	2.9
271.02530	29.1
272.03159	4.0
285.04147	4.8
286.05093	1.6
287.05557	1.3
299.02051	27.8
300.02792	24.7
300.05621	0.4
301.03046	2.1
313.03601	0.4
314.04401	27.0
315.05170	54.3
316.05490	3.8
357.06366	0.5
457.13562	1.3
458.13916	0.9
501.14197	0.3
623.16315	100.0
624.16663	15.0
642.45508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	0.7
67.01783	1.7
68.99696	2.8
69.03347	1.9
71.01273	37.9
71.59317	0.5
72.01630	0.7
72.99203	9.8
73.02842	3.1
75.00769	29.3
80.02573	5.9
81.03360	1.7
83.01286	2.7
83.04922	0.8
84.02049	0.7
85.02847	38.2
86.03187	0.7
87.00779	14.3
89.02341	6.4
91.03921	1.2
93.03361	3.2
96.95927	1.7
97.02870	1.6
99.00788	32.5
99.04429	4.4
100.01128	0.7
101.02320	2.7
103.00272	3.3
105.03384	1.9
107.04939	0.8
108.02068	0.5
109.02869	2.0
109.06521	0.5
111.00797	2.6
111.04428	0.8
112.01610	1.0
113.02363	39.6
113.05956	0.5
114.02704	1.3
115.00301	2.8
117.01869	2.8
119.04961	1.5
121.02898	1.2
121.06512	1.2
122.03593	0.6
123.04454	1.0
125.02392	1.6
127.03915	0.8
129.01884	4.0
131.03424	1.3
133.02898	1.9
134.03629	0.8
135.02934	0.5
135.04436	1.6
136.30354	0.4
137.02371	1.3
139.00317	1.3
141.01875	1.5
145.02885	0.9
147.04439	0.5
148.05237	0.6
149.02411	0.8
149.06001	0.5
150.03217	1.4
151.00368	0.5
151.03951	8.1
153.01854	2.2
157.01401	5.6
161.02403	32.7
162.03139	3.4
163.03970	1.2
165.01926	0.8
165.05534	1.7
166.02705	0.8
171.02936	0.9
173.04520	1.5
175.02492	3.3
175.03877	0.8
175.30612	0.5
176.04756	18.6
177.01866	0.8
177.05287	1.3
179.03473	59.4
180.04221	8.8
181.01387	0.6
181.05006	2.5
189.12840	18.1
190.13124	1.2
191.05568	2.9
191.07137	6.2
192.04288	0.8
193.05057	1.6
194.05830	48.2
195.06593	13.4
196.05373	0.4
196.07195	0.6
199.02495	0.8
205.07141	2.6
207.05096	1.1
207.13905	7.2
209.08191	33.7
210.08469	1.5
213.35072	0.5
231.05107	1.0
231.14017	2.0
233.11911	3.2
236.06772	0.4
249.06194	14.4
250.06659	0.6
251.09402	0.4
251.10306	0.7
251.12927	7.3
257.11981	0.6
267.07278	33.3
268.07639	1.5
275.13031	1.1
283.02557	1.0
285.03995	0.4
325.16763	1.0
357.12183	0.8
421.18555	0.7
433.14886	1.2
439.19830	10.8
440.20093	1.1
459.70276	0.5
465.17853	2.7
483.18851	27.3
484.18909	3.0
488.75967	0.5
489.17865	0.7
501.19849	9.0
502.20148	0.9
507.18842	1.8
508.18314	0.5
525.19971	1.1
543.21320	1.2
549.20056	1.0
573.23120	0.6
574.93103	0.4
616.59625	0.5
627.23053	0.9
632.41187	0.5
645.24158	21.8
646.24548	3.7
837.32098	0.9
855.33087	100.0
856.33386	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	855.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	0.7
67.01783	1.7
68.99696	2.8
69.03347	1.9
71.01273	37.9
71.59317	0.5
72.01630	0.7
72.99203	9.8
73.02842	3.1
75.00769	29.3
80.02573	5.9
81.03360	1.7
83.01286	2.7
83.04922	0.8
84.02049	0.7
85.02847	38.2
86.03187	0.7
87.00779	14.3
89.02341	6.4
91.03921	1.2
93.03361	3.2
96.95927	1.7
97.02870	1.6
99.00788	32.5
99.04429	4.4
100.01128	0.7
101.02320	2.7
103.00272	3.3
105.03384	1.9
107.04939	0.8
108.02068	0.5
109.02869	2.0
109.06521	0.5
111.00797	2.6
111.04428	0.8
112.01610	1.0
113.02363	39.6
113.05956	0.5
114.02704	1.3
115.00301	2.8
117.01869	2.8
119.04961	1.5
121.02898	1.2
121.06512	1.2
122.03593	0.6
123.04454	1.0
125.02392	1.6
127.03915	0.8
129.01884	4.0
131.03424	1.3
133.02898	1.9
134.03629	0.8
135.02934	0.5
135.04436	1.6
136.30354	0.4
137.02371	1.3
139.00317	1.3
141.01875	1.5
145.02885	0.9
147.04439	0.5
148.05237	0.6
149.02411	0.8
149.06001	0.5
150.03217	1.4
151.00368	0.5
151.03951	8.1
153.01854	2.2
157.01401	5.6
161.02403	32.7
162.03139	3.4
163.03970	1.2
165.01926	0.8
165.05534	1.7
166.02705	0.8
171.02936	0.9
173.04520	1.5
175.02492	3.3
175.03877	0.8
175.30612	0.5
176.04756	18.6
177.01866	0.8
177.05287	1.3
179.03473	59.4
180.04221	8.8
181.01387	0.6
181.05006	2.5
189.12840	18.1
190.13124	1.2
191.05568	2.9
191.07137	6.2
192.04288	0.8
193.05057	1.6
194.05830	48.2
195.06593	13.4
196.05373	0.4
196.07195	0.6
199.02495	0.8
205.07141	2.6
207.05096	1.1
207.13905	7.2
209.08191	33.7
210.08469	1.5
213.35072	0.5
231.05107	1.0
231.14017	2.0
233.11911	3.2
236.06772	0.4
249.06194	14.4
250.06659	0.6
251.09402	0.4
251.10306	0.7
251.12927	7.3
257.11981	0.6
267.07278	33.3
268.07639	1.5
275.13031	1.1
283.02557	1.0
285.03995	0.4
325.16763	1.0
357.12183	0.8
421.18555	0.7
433.14886	1.2
439.19830	10.8
440.20093	1.1
459.70276	0.5
465.17853	2.7
483.18851	27.3
484.18909	3.0
488.75967	0.5
489.17865	0.7
501.19849	9.0
502.20148	0.9
507.18842	1.8
508.18314	0.5
525.19971	1.1
543.21320	1.2
549.20056	1.0
573.23120	0.6
574.93103	0.4
616.59625	0.5
627.23053	0.9
632.41187	0.5
645.24158	21.8
646.24548	3.7
837.32098	0.9
855.33087	100.0
856.33386	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	853.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01581	1.9
69.03336	1.5
69.34354	2.5
69.34779	2.1
71.01270	58.9
72.01602	1.0
72.99181	3.6
73.02836	37.9
74.03187	0.9
75.00755	1.1
79.81671	0.5
81.03355	0.9
83.00811	0.9
83.01280	12.6
83.04890	0.6
85.02844	16.0
87.00758	4.7
87.04401	1.0
89.02338	30.5
90.02673	0.5
93.03362	0.8
95.01278	3.6
97.02826	1.5
99.00771	4.2
101.02346	49.3
102.02678	1.1
103.03902	0.9
111.08047	0.8
113.02355	25.0
114.02686	0.7
119.03419	13.1
125.02338	3.5
127.03890	0.9
129.01788	0.7
131.03462	2.5
134.03630	0.7
135.04405	0.9
139.11174	0.5
141.09151	1.2
143.03439	7.9
143.87103	0.5
147.02963	0.6
149.04494	6.6
151.11220	1.7
153.09077	0.7
155.03458	0.7
155.10667	0.6
159.02901	1.8
161.04501	21.4
161.05846	1.1
162.04956	0.8
169.12253	1.2
179.03612	0.4
179.04192	0.5
179.05562	4.0
187.13365	14.0
191.05545	2.0
193.05061	0.5
203.05640	4.2
205.03510	0.6
221.06686	3.9
222.58612	0.6
229.14354	0.7
229.65398	0.5
243.05159	0.6
253.14522	2.8
283.15598	1.9
331.17688	50.5
332.18042	5.0
333.05762	0.5
349.18732	65.2
350.19098	4.9
373.18842	4.0
391.19818	100.0
392.20117	10.6
423.73285	0.6
430.27234	0.5
459.18817	0.7
499.24414	0.5
635.93262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01603	2.5
61.44618	0.9
64.70480	0.9
69.03326	1.4
69.70907	6.6
71.01270	55.9
72.99195	3.1
73.02834	30.1
74.03133	1.1
78.95792	32.7
81.03371	1.0
81.97095	0.9
83.01273	11.9
83.04930	1.3
85.02841	19.9
87.00781	6.6
89.02330	21.1
89.33837	0.8
91.70866	1.0
93.03361	8.3
95.01285	4.7
96.96857	21.6
97.02844	1.9
99.00776	4.6
101.02345	43.5
103.03912	1.8
109.02847	2.7
111.00777	2.4
111.04429	4.1
113.02358	25.6
119.03404	11.7
125.02344	4.3
127.03921	1.4
131.03448	2.7
133.02878	13.1
134.03532	1.1
135.04446	22.3
137.02344	1.2
141.09157	1.9
143.03477	5.1
145.02899	1.2
147.04451	0.9
149.04457	2.6
151.07581	7.4
151.11151	1.1
155.03423	1.9
155.10608	0.9
159.04453	1.4
161.02396	49.7
161.04434	15.3
162.02737	4.2
163.03983	1.8
173.04504	9.8
174.04805	1.1
174.88818	1.5
179.03459	18.5
180.03920	1.7
187.13347	13.2
191.05579	62.1
192.05936	3.6
195.06613	27.0
196.06941	1.5
203.03529	1.3
203.05475	2.2
219.06612	3.6
221.06641	2.3
229.14464	2.8
233.09486	40.7
234.09998	1.7
237.05602	1.2
237.07750	2.2
243.05125	29.8
244.05423	1.9
264.04395	1.4
265.05151	4.6
266.05374	1.3
267.06674	1.8
269.08295	1.6
293.04730	2.0
295.06155	4.4
298.62558	1.1
321.04050	1.3
331.17673	68.3
332.18192	6.4
337.03586	19.4
338.03952	6.2
339.05139	14.2
340.05548	2.4
349.18716	44.8
350.19070	3.1
352.08133	2.0
353.08810	20.9
354.09079	2.8
357.12024	16.5
373.18692	15.9
374.19308	2.3
391.19800	100.0
392.20078	10.5
413.14734	1.6
432.08865	5.9
432.58960	6.3
433.09579	11.4
433.59918	2.9
457.17416	3.3
495.09650	1.8
496.09796	1.5
511.08710	3.1
512.09106	1.3
513.10480	8.5
513.60553	2.7
514.11017	3.0
514.61359	1.7
515.11578	1.2
550.98145	1.1
675.13623	7.3
705.17175	1.1
712.48474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95180	0.1
65.00211	0.4
71.01267	0.4
71.63216	0.2
81.03366	0.1
85.02861	0.2
89.03901	0.3
89.71023	0.1
91.01799	2.6
93.03328	0.3
96.99218	4.7
101.02357	0.2
108.02085	1.2
111.00785	0.2
113.02335	0.2
115.05453	2.7
116.05750	0.1
117.03376	1.0
119.04955	0.4
121.02881	0.2
123.00805	0.2
123.04443	10.8
124.01565	0.4
124.04800	0.3
133.02902	0.4
134.03667	8.6
135.04112	0.3
137.02412	0.4
145.02895	1.4
146.03696	1.8
147.04465	4.7
148.01584	0.3
148.04810	0.2
149.06017	1.0
150.03131	0.3
153.05534	0.3
158.03679	1.8
159.04468	4.2
160.01593	0.5
160.05046	0.3
161.02350	0.2
161.06010	1.5
163.03978	1.3
164.04584	0.1
167.03490	0.2
173.04619	0.2
173.06027	1.8
175.03964	0.5
178.02655	1.0
187.03978	0.5
188.04633	0.2
191.05592	0.5
191.08479	0.2
193.03322	0.3
193.05043	5.0
194.05475	0.2
210.06851	1.1
219.08098	0.6
222.06970	0.2
223.07660	0.2
225.09267	1.2
234.06824	0.8
235.07666	10.7
236.08403	4.6
237.09219	3.9
238.09990	3.8
239.10307	0.3
247.07718	0.7
247.59775	0.1
249.09198	0.3
251.10823	1.2
252.11285	0.2
263.07172	3.0
264.07965	12.0
265.08371	1.3
279.10345	8.0
279.12808	0.2
280.10727	0.9
295.09882	0.2
297.11374	0.5
308.06940	2.2
309.07602	0.2
309.84915	0.1
323.09286	4.0
324.09558	0.3
341.10373	100.0
342.10699	9.5
342.14944	0.3
447.00604	0.1
510.55005	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	853.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52301	0.6
61.98722	2.4
67.01772	2.2
68.99708	4.0
69.03359	2.3
70.92865	1.2
70.93235	1.6
71.01275	56.2
72.99204	13.7
73.02843	5.0
75.00769	37.5
79.03330	0.7
79.05434	0.9
80.02563	0.7
81.03374	2.8
83.01273	4.3
83.04927	1.6
84.02071	0.9
85.02850	56.8
86.03203	1.1
87.00774	20.4
89.02337	14.3
89.02840	1.1
91.03915	2.6
93.03366	6.3
93.87215	0.6
95.01295	12.6
95.04918	1.9
96.95914	4.2
97.02870	1.8
99.00787	27.9
99.04412	1.5
100.01099	1.1
101.02348	5.8
103.00275	5.5
105.03333	1.4
107.04946	1.5
109.02863	1.5
111.00785	2.9
111.04453	1.9
112.01624	1.2
113.02365	67.5
114.02723	1.2
115.00309	3.8
117.01884	4.7
118.02210	0.6
119.03434	1.7
119.04959	2.0
121.02860	1.0
123.04449	1.1
125.02393	2.3
129.01865	5.7
131.03456	2.4
133.02876	2.3
133.06487	0.8
134.03770	1.6
135.04492	4.9
137.02396	2.6
139.00291	1.7
143.03439	1.4
145.02872	1.1
145.10121	0.9
149.04587	1.1
149.06010	1.4
150.03162	1.1
151.00352	0.8
151.03958	8.7
153.01880	1.7
157.01357	4.7
159.11772	1.0
161.02403	30.6
161.13321	17.7
162.03181	3.4
163.03979	1.1
165.05634	1.2
169.33789	0.8
171.10304	0.9
173.04533	3.4
175.02490	4.7
175.03864	1.2
176.04761	16.3
177.01860	2.1
179.03471	54.1
180.04247	7.8
187.11258	13.9
188.11589	0.8
191.05594	9.9
191.07155	5.8
193.04961	1.7
193.08652	0.8
194.05838	44.5
195.06592	13.4
201.11310	4.8
205.07196	8.6
205.08905	1.2
205.12338	27.1
206.12872	1.1
207.05089	3.1
209.06178	1.5
209.08206	30.9
209.11792	14.6
210.08453	1.5
210.12334	1.0
213.09219	1.3
227.12877	1.6
231.05263	1.7
231.10271	1.3
249.06219	25.0
250.06528	1.8
267.07291	100.0
268.07693	4.2
273.11243	1.1
283.02576	0.8
299.01923	0.8
343.95789	0.8
379.12024	1.0
391.19940	0.8
393.19403	1.6
397.13742	5.0
415.14648	1.0
437.18286	7.3
438.19199	0.8
455.19513	1.6
463.16223	1.8
481.17291	19.5
482.17633	2.2
499.18445	5.1
505.17282	1.7
583.20441	1.0
643.22504	16.5
644.22919	2.5
853.31555	84.3
854.31842	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	853.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01593	0.7
67.01781	0.2
71.01271	3.4
71.56672	0.2
72.99191	0.2
73.02841	1.0
77.03812	0.2
78.95774	0.3
81.03344	0.2
83.01269	0.2
83.04905	0.2
85.02855	1.3
87.00769	0.7
89.02336	0.9
93.03354	0.8
95.01289	0.7
96.96904	0.2
97.02826	0.3
99.00784	0.5
101.02345	2.8
111.00777	0.2
113.02374	1.4
119.03400	0.5
123.00779	0.2
125.02385	0.2
127.03886	0.3
133.02859	0.2
135.04425	0.4
137.94307	0.2
143.03470	0.2
147.04474	1.2
150.36275	0.2
157.04985	0.2
161.02370	0.3
161.04480	1.0
173.04501	0.4
179.03354	0.3
183.02954	2.7
187.13322	0.6
191.05569	2.0
201.04066	0.9
243.05127	100.0
244.03163	0.3
244.05487	4.5
250.54646	0.2
253.14423	0.3
283.15744	0.2
323.57547	0.2
331.17694	5.6
339.05249	0.3
349.18729	2.5
373.18753	1.1
391.10608	0.4
391.19852	2.6
392.19876	0.2
435.22546	0.3
435.32104	0.2
435.38071	0.2
507.93759	0.2
643.10193	0.2
673.15167	0.2
675.17523	0.2
825.31866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.2
61.98706	0.7
69.03344	0.2
71.01266	0.6
71.04901	0.1
81.03342	0.3
82.60395	0.1
83.01286	0.1
85.02842	0.6
89.02354	0.2
92.71339	0.1
93.03370	0.2
95.01292	0.2
96.95896	0.2
97.02814	0.2
97.06470	0.6
98.20586	0.2
101.02338	0.4
108.02071	0.2
109.02886	0.4
109.06465	0.2
113.02354	0.4
118.16804	0.1
119.04929	0.2
121.02876	0.7
121.05141	0.2
121.06519	0.2
122.03644	0.6
123.04422	0.2
123.08064	1.0
125.02357	0.2
125.09594	0.2
127.07619	0.3
131.05020	0.2
134.03702	0.2
136.01595	11.6
137.02435	0.4
145.06514	0.2
146.03650	0.2
147.04475	0.1
147.08104	2.0
149.02383	1.3
150.03195	0.9
151.03951	13.5
151.07532	0.4
152.04272	0.5
156.28055	0.1
159.04433	0.2
160.05167	0.2
161.04514	0.4
161.05965	0.2
161.09677	1.5
162.03163	0.2
162.89305	0.2
163.03976	0.7
163.07635	0.2
163.11235	2.7
164.04721	0.4
164.11638	0.2
164.83580	0.2
165.05528	1.2
165.09163	0.2
173.09653	0.2
174.46666	0.2
175.07632	0.3
176.04691	0.2
177.05524	0.3
179.03635	0.1
179.07071	0.2
180.04175	0.1
189.05540	0.6
189.12827	4.4
190.13144	0.2
191.07112	25.1
192.07466	1.2
195.06619	2.9
196.06863	0.2
198.91676	0.1
203.06990	0.2
205.08687	20.1
206.09174	1.9
207.10149	0.4
221.08203	2.0
229.63327	0.2
237.05534	0.1
237.36134	0.2
241.05008	0.2
243.14066	0.2
259.16910	0.2
267.06647	0.4
269.19180	1.5
271.09836	0.3
272.10080	0.2
282.09064	0.4
285.18808	0.3
287.20193	0.4
297.11301	0.7
312.09967	0.6
313.18170	16.5
314.18613	1.8
327.12448	2.0
328.12970	0.2
331.19217	100.0
332.19559	11.1
342.11133	0.6
345.13455	0.4
347.18646	0.1
349.20261	3.9
350.20453	0.4
357.13516	11.3
358.13910	1.3
375.14706	0.8
519.18140	0.1
537.20221	0.1
577.82733	0.1
821.36035	0.3
851.38312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	9.6
61.98719	0.3
67.01775	0.4
69.03345	0.2
69.30698	0.2
71.01273	3.4
71.10011	0.4
71.10367	0.3
73.02834	0.5
76.39124	0.2
83.01276	0.3
85.02844	0.7
87.00779	0.8
89.02342	2.1
90.02698	0.2
93.03366	2.7
96.95924	0.3
97.06473	0.3
99.00777	0.2
101.02344	2.3
105.03349	0.4
111.04430	0.4
111.87753	0.2
113.02354	0.4
117.03383	0.9
119.03432	0.3
119.04932	0.4
121.05004	2.8
132.02109	3.3
133.02895	4.7
134.03673	40.8
135.03941	1.2
137.02379	0.6
147.04422	0.3
147.08060	0.4
148.05226	0.8
149.06032	17.8
150.06335	0.8
160.01616	29.0
161.01985	1.6
161.04475	0.3
163.03909	0.4
163.11176	0.7
173.04510	1.1
175.03973	40.9
176.04298	1.6
177.01962	1.6
177.05528	0.5
178.02669	0.8
179.03514	1.3
191.03833	0.3
191.05556	2.7
191.07135	5.7
192.04272	0.3
193.05046	40.2
194.05365	1.8
198.22253	0.2
205.08699	4.3
206.09381	0.3
207.10257	0.2
209.11867	0.2
215.07141	0.2
221.04527	1.5
221.08176	0.7
269.19275	0.3
272.92010	0.2
277.96927	0.2
282.07498	3.8
285.04111	0.2
297.09875	100.0
298.10220	5.9
300.46429	0.3
331.19232	50.5
332.19559	4.4
349.20337	0.9
379.36710	0.2
384.27658	0.2
424.73047	0.2
449.14691	2.1
450.14841	0.3
507.24207	0.2
611.11646	0.2
629.29590	0.7
669.29541	0.5
687.30939	0.3
851.39038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	1.6
61.48288	0.1
61.98697	0.1
63.02279	0.1
65.00201	0.6
67.01776	0.2
67.46563	0.1
69.03334	0.2
69.58763	0.1
69.59174	0.4
71.01271	1.0
73.02834	0.2
80.02569	0.1
81.03352	3.9
82.96474	0.1
83.01275	0.8
83.04898	0.1
83.92039	0.1
85.02840	0.9
85.06470	0.5
87.00764	0.3
87.04405	0.6
89.02344	0.6
93.03352	0.6
95.01298	0.2
95.04916	0.2
96.95928	0.1
97.02855	0.2
97.06452	0.1
98.19781	0.1
99.00784	0.2
99.04438	0.1
101.02369	0.5
107.01293	0.6
107.04963	0.1
108.02097	0.1
109.02895	0.1
109.06497	2.2
110.06842	0.1
111.00822	0.1
111.04423	3.3
112.04786	0.1
113.02358	0.7
118.88155	0.1
119.03382	0.2
119.04930	0.1
121.02898	0.2
122.03652	1.4
123.04440	0.3
123.08052	0.1
124.01581	0.2
125.02372	5.6
126.02690	0.1
127.07559	0.3
131.01422	0.1
131.03477	0.1
133.02861	0.1
134.03654	0.2
135.04457	1.2
137.02373	0.2
139.03915	0.2
143.03464	0.3
149.02403	0.7
149.05952	0.2
151.00351	0.9
151.07593	29.2
152.01094	0.2
152.07930	1.2
153.05482	0.3
160.01627	0.2
161.02312	0.1
161.04526	0.1
161.06036	0.1
162.03249	0.1
163.03996	0.2
163.07617	0.1
165.01901	0.1
165.05557	0.3
167.03416	0.2
173.04485	0.2
175.00339	0.2
175.03926	0.1
177.05559	0.8
179.03467	0.4
179.07095	0.2
191.03638	0.1
191.05574	0.6
191.07135	2.0
192.07458	0.2
193.05087	0.2
193.08606	0.1
194.05760	0.2
195.06610	100.0
196.06952	4.7
201.05481	0.1
205.08708	1.3
206.09225	0.1
207.06638	0.3
208.07372	0.1
209.08173	1.0
219.06633	8.2
220.07018	0.4
221.08081	0.3
235.05997	0.1
237.07709	3.1
238.08051	0.1
249.07695	0.9
261.07849	0.2
267.08749	0.1
297.09900	0.5
307.08264	0.1
308.09039	0.2
313.18130	0.1
331.19232	9.4
332.19620	1.1
339.10922	0.6
349.20361	0.3
352.07974	0.6
357.11990	23.3
358.12296	1.9
449.14685	0.6
493.24524	6.1
494.24939	0.8
511.25690	0.1
689.31989	1.1
690.32648	0.1
748.33276	0.2
748.83624	1.7
749.33771	0.7
749.84412	0.2
755.34082	0.1
821.36670	0.3
821.86383	0.1
851.37439	1.8
852.37775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01602	0.8
69.03349	0.5
71.01271	13.7
71.04922	0.2
72.01621	0.2
72.99197	0.7
73.02840	5.7
73.03252	0.3
83.01279	2.4
83.04936	0.2
85.02846	4.8
86.03192	0.2
87.00777	1.4
89.02340	5.6
93.03378	0.5
95.01289	0.8
97.02869	0.4
97.06498	1.6
99.00771	1.3
99.04451	0.2
101.02350	9.8
102.02699	0.2
108.64538	0.1
109.06532	0.2
111.00797	0.2
113.02359	6.2
115.07558	0.4
119.03415	2.6
119.04909	0.2
121.02877	0.3
125.02414	0.6
127.07559	1.0
131.03447	0.7
131.64107	0.1
133.02858	0.2
135.04460	0.4
137.02371	0.2
139.00261	0.2
143.03455	1.3
148.01599	0.2
149.04523	1.1
149.29260	0.2
150.03217	0.2
151.00267	0.8
155.03401	0.2
159.02959	0.6
161.02386	0.2
161.04506	3.9
162.04854	0.2
167.10756	1.4
173.04495	0.5
178.99921	0.2
179.03464	0.2
179.05595	0.8
183.10262	0.9
184.10716	0.3
185.11830	2.1
191.05568	2.1
191.07158	0.2
195.06619	0.2
203.05627	0.8
214.16667	0.1
221.06635	0.8
227.03404	0.2
227.12726	0.1
230.03706	0.2
243.02969	0.8
243.72411	0.1
255.03033	2.3
256.03421	0.2
257.14069	0.2
259.11990	0.2
267.07397	0.2
271.02557	5.0
271.05542	0.2
272.03052	0.4
299.02274	0.2
300.02814	11.5
301.03442	2.8
313.16663	0.4
318.34506	0.1
329.16107	6.4
330.16495	0.5
331.17636	1.4
339.05240	0.2
347.17175	7.1
348.17480	0.7
353.09030	0.3
359.26175	0.2
373.18750	10.4
374.19083	1.1
389.18256	14.7
390.18564	1.6
409.68884	0.1
433.07843	12.8
433.17526	0.4
434.08041	1.6
522.02686	0.1
851.24561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01602	0.8
69.03349	0.5
71.01271	13.7
71.04922	0.2
72.01621	0.2
72.99197	0.7
73.02840	5.7
73.03252	0.3
83.01279	2.4
83.04936	0.2
85.02846	4.8
86.03192	0.2
87.00777	1.4
89.02340	5.6
93.03378	0.5
95.01289	0.8
97.02869	0.4
97.06498	1.6
99.00771	1.3
99.04451	0.2
101.02350	9.8
102.02699	0.2
108.64538	0.1
109.06532	0.2
111.00797	0.2
113.02359	6.2
115.07558	0.4
119.03415	2.6
119.04909	0.2
121.02877	0.3
125.02414	0.6
127.07559	1.0
131.03447	0.7
131.64107	0.1
133.02858	0.2
135.04460	0.4
137.02371	0.2
139.00261	0.2
143.03455	1.3
148.01599	0.2
149.04523	1.1
149.29260	0.2
150.03217	0.2
151.00267	0.8
155.03401	0.2
159.02959	0.6
161.02386	0.2
161.04506	3.9
162.04854	0.2
167.10756	1.4
173.04495	0.5
178.99921	0.2
179.03464	0.2
179.05595	0.8
183.10262	0.9
184.10716	0.3
185.11830	2.1
191.05568	2.1
191.07158	0.2
195.06619	0.2
203.05627	0.8
214.16667	0.1
221.06635	0.8
227.03404	0.2
227.12726	0.1
230.03706	0.2
243.02969	0.8
243.72411	0.1
255.03033	2.3
256.03421	0.2
257.14069	0.2
259.11990	0.2
267.07397	0.2
271.02557	5.0
271.05542	0.2
272.03052	0.4
299.02274	0.2
300.02814	11.5
301.03442	2.8
313.16663	0.4
318.34506	0.1
329.16107	6.4
330.16495	0.5
331.17636	1.4
339.05240	0.2
347.17175	7.1
348.17480	0.7
353.09030	0.3
359.26175	0.2
373.18750	10.4
374.19083	1.1
389.18256	14.7
390.18564	1.6
409.68884	0.1
433.07843	12.8
433.17526	0.4
434.08041	1.6
522.02686	0.1
851.24561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01602	1.2
69.03352	0.3
70.45451	0.2
70.45807	0.4
71.01273	11.9
72.01608	0.2
72.99207	0.3
73.02837	3.7
75.00761	0.2
83.01278	1.4
85.02843	5.3
87.00759	0.6
89.02340	5.1
93.03372	0.4
95.01295	0.9
95.01825	0.1
95.54646	0.1
97.02866	0.3
99.00787	2.3
101.02351	7.9
111.00748	0.2
113.02357	4.4
119.03465	0.6
119.04948	0.3
123.08041	0.1
125.02367	0.5
129.01886	0.3
131.02632	0.1
131.03445	0.8
134.03683	0.5
135.04483	0.4
143.03470	0.4
149.04500	2.6
149.05688	0.2
156.18881	0.2
159.02936	0.9
160.01601	0.1
161.04498	4.1
162.04939	0.1
163.03990	0.3
173.04459	0.3
175.03964	0.3
179.05525	0.2
179.95532	0.1
191.05618	2.2
191.07216	0.1
193.05087	0.3
197.11794	0.7
207.10329	0.1
209.11850	1.2
221.06769	0.2
226.72067	0.1
251.07813	0.5
280.09601	0.2
295.11951	0.8
315.18192	10.2
316.18567	0.8
322.60150	0.1
324.87030	0.1
329.17734	0.2
331.19211	0.7
337.09464	0.4
346.21881	0.1
357.19272	7.5
358.19717	0.9
359.17401	0.2
401.18475	0.5
447.22467	5.8
448.22971	0.7
849.37579	1.9
850.37610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	6.2
61.90649	0.2
69.30649	0.1
69.44749	0.3
69.45153	1.1
71.01273	3.0
71.04920	0.8
81.80570	0.2
83.04926	0.2
85.02865	0.6
87.00774	0.2
89.02337	2.1
89.03876	0.2
93.03376	0.9
95.04976	0.2
97.02843	0.2
101.02348	1.7
105.03367	0.2
107.04955	0.2
109.02921	0.2
111.00797	0.2
111.04421	0.3
117.03421	0.8
119.04951	0.5
119.44516	0.2
121.05008	2.3
121.06501	0.2
123.04427	0.2
123.07164	0.3
123.08084	7.2
132.02092	3.1
133.02893	5.5
134.03671	41.1
135.04097	1.3
136.01563	0.2
137.02383	0.5
147.04468	0.3
148.05266	0.9
149.06030	16.8
150.06346	0.8
160.01614	28.7
161.01929	1.5
161.05995	0.3
161.09669	0.5
163.03979	0.4
165.02005	0.2
173.04564	0.5
175.03972	40.0
176.04301	1.9
177.01886	1.7
177.05527	0.6
178.02675	1.0
179.03476	1.4
189.09239	0.3
191.05565	2.1
191.07147	5.2
193.05046	40.3
194.05373	2.0
205.08690	4.8
206.09140	0.4
221.04588	1.5
221.08221	0.8
245.11949	0.2
282.07507	3.3
283.02606	0.4
285.18570	0.5
297.09866	100.0
298.10193	7.1
303.19672	0.2
327.19473	0.2
329.17661	32.3
330.18008	3.4
331.19104	1.0
347.18710	1.9
348.19083	0.2
371.18796	0.3
389.19965	0.3
425.62137	0.2
433.76309	0.2
536.65088	0.2
627.28558	0.3
687.30011	0.2
787.84839	0.2
849.35931	0.3
857.02313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01277	0.4
61.98716	0.1
63.43304	0.1
65.00188	0.5
66.45569	0.1
67.01781	0.1
69.03338	0.2
69.27848	0.1
69.95005	0.1
71.01281	0.4
71.04899	0.5
72.41038	0.1
73.21060	0.1
73.57731	0.1
79.63033	0.1
80.02572	0.1
81.03350	3.4
83.01268	0.7
83.04921	0.1
85.02853	0.3
85.06477	0.6
87.04423	0.4
93.03353	0.3
95.01301	0.1
95.04939	0.3
97.02872	0.7
107.01301	0.4
107.04930	0.3
108.02115	0.2
109.02888	0.2
109.06505	2.1
110.51514	0.1
111.04427	3.3
113.02348	0.2
113.06034	0.2
119.04919	0.1
121.02891	0.3
121.06503	0.5
122.03661	1.3
123.00844	0.1
123.04449	0.3
123.08080	12.1
124.01619	0.1
124.08426	0.5
125.02369	5.6
125.06093	0.1
125.09692	0.1
126.02716	0.1
127.07586	0.3
133.06519	0.1
135.04463	0.1
136.05176	0.1
137.02388	0.1
139.03902	0.3
147.04486	0.1
147.08096	0.4
149.02396	1.2
149.05946	0.2
150.02927	0.1
151.00323	0.9
151.07591	32.9
152.01096	0.5
152.07942	1.6
153.05473	0.4
159.08134	0.1
161.02310	0.1
161.06076	0.1
161.09674	0.7
163.03970	0.2
163.07536	0.2
163.11179	0.1
165.05548	0.6
167.03439	0.5
175.00346	0.5
175.07516	0.1
177.05542	0.7
177.09111	0.1
177.12949	0.1
179.03421	0.2
179.07048	0.6
181.08658	0.1
187.11275	0.1
189.05576	0.1
189.09070	0.1
191.05702	0.3
191.07108	10.1
192.07407	0.6
193.05052	0.1
193.08739	0.2
194.05814	0.2
195.06607	100.0
196.06949	5.2
201.05496	0.4
201.12865	0.1
203.07063	0.1
205.08690	8.3
206.09135	0.7
207.06602	0.5
207.10106	0.2
208.07356	0.3
209.08186	2.0
210.08531	0.2
214.92572	0.1
217.08553	0.1
219.06625	17.9
220.06993	1.0
221.08188	1.4
233.08200	0.1
237.07700	6.8
238.07985	0.4
245.11714	0.2
249.07727	2.0
250.08272	0.1
261.07697	0.3
267.08792	0.1
279.08698	0.2
285.18628	0.6
287.16498	0.1
297.10010	0.6
329.17642	51.3
330.17984	5.8
339.10907	1.7
347.18698	1.3
348.19138	0.2
357.11984	39.6
358.12305	3.7
631.89929	0.1
687.30383	5.8
688.30573	1.4
698.52924	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	849.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.0
61.98701	0.1
62.97256	0.1
63.02285	1.0
65.00195	0.6
67.01764	0.1
71.01273	0.6
71.29860	0.1
71.56242	0.2
73.02814	0.1
78.33132	0.1
83.01269	0.4
85.02847	0.3
87.00773	0.1
89.00239	0.1
89.02319	0.2
91.01770	0.1
93.03356	0.4
95.01266	0.1
96.95911	0.1
97.02863	0.2
99.00745	0.1
101.02338	0.2
103.12988	0.1
107.01291	1.0
107.35506	0.1
108.35703	0.1
109.02855	1.1
113.02332	0.2
115.05470	0.2
117.03413	0.1
119.01294	0.2
119.03410	0.1
119.04897	0.1
121.02902	0.1
123.00813	0.1
127.07584	0.1
131.04904	0.1
132.02153	0.1
133.02881	2.5
134.03616	0.1
135.00798	0.3
135.04436	0.5
139.92139	0.1
143.04947	1.0
144.05299	0.1
145.01801	0.1
145.02892	0.3
147.00804	0.3
147.04488	0.2
149.02374	0.1
151.00308	1.2
155.04915	0.4
157.02898	0.6
158.86784	0.1
159.04436	0.2
161.02386	2.3
161.06056	0.1
162.02785	0.1
163.03996	0.1
163.11308	0.1
169.01419	0.2
169.02934	0.1
170.03693	0.1
171.03050	0.1
171.04472	2.2
173.02429	0.6
173.04532	0.2
175.00470	0.1
175.03975	1.7
179.03464	0.4
182.03745	0.2
183.04514	0.4
185.02423	0.4
187.03951	1.1
189.05521	0.2
191.03415	0.1
191.05597	0.7
195.06691	0.1
197.02460	0.7
198.03218	0.7
199.03999	6.8
200.04315	0.5
201.01930	2.1
202.02260	0.1
203.03470	0.3
207.10268	0.2
211.04124	0.1
213.01830	0.2
214.02722	0.3
215.03491	2.6
216.03766	0.2
225.02068	0.2
226.02707	1.0
227.03494	3.1
227.05762	0.2
228.03795	0.2
229.01453	0.3
231.02934	0.1
241.01465	0.3
242.02220	0.7
243.03017	3.4
244.03415	0.2
255.03038	0.9
257.00641	0.1
271.02527	43.9
271.99884	0.2
272.02884	3.4
282.01733	0.3
283.02496	0.1
298.01337	0.1
299.02020	100.0
300.02374	7.8
313.03500	0.2
331.19302	0.2
349.20242	0.3
350.20746	0.2
351.07327	0.1
353.08691	0.2
387.16727	0.9
449.14484	0.2
497.27216	0.1
549.11322	0.2
549.19873	3.2
550.20459	0.4
812.60504	0.1
849.36322	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	849.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.0
61.98701	0.1
62.97256	0.1
63.02285	1.0
65.00195	0.6
67.01764	0.1
71.01273	0.6
71.29860	0.1
71.56242	0.2
73.02814	0.1
78.33132	0.1
83.01269	0.4
85.02847	0.3
87.00773	0.1
89.00239	0.1
89.02319	0.2
91.01770	0.1
93.03356	0.4
95.01266	0.1
96.95911	0.1
97.02863	0.2
99.00745	0.1
101.02338	0.2
103.12988	0.1
107.01291	1.0
107.35506	0.1
108.35703	0.1
109.02855	1.1
113.02332	0.2
115.05470	0.2
117.03413	0.1
119.01294	0.2
119.03410	0.1
119.04897	0.1
121.02902	0.1
123.00813	0.1
127.07584	0.1
131.04904	0.1
132.02153	0.1
133.02881	2.5
134.03616	0.1
135.00798	0.3
135.04436	0.5
139.92139	0.1
143.04947	1.0
144.05299	0.1
145.01801	0.1
145.02892	0.3
147.00804	0.3
147.04488	0.2
149.02374	0.1
151.00308	1.2
155.04915	0.4
157.02898	0.6
158.86784	0.1
159.04436	0.2
161.02386	2.3
161.06056	0.1
162.02785	0.1
163.03996	0.1
163.11308	0.1
169.01419	0.2
169.02934	0.1
170.03693	0.1
171.03050	0.1
171.04472	2.2
173.02429	0.6
173.04532	0.2
175.00470	0.1
175.03975	1.7
179.03464	0.4
182.03745	0.2
183.04514	0.4
185.02423	0.4
187.03951	1.1
189.05521	0.2
191.03415	0.1
191.05597	0.7
195.06691	0.1
197.02460	0.7
198.03218	0.7
199.03999	6.8
200.04315	0.5
201.01930	2.1
202.02260	0.1
203.03470	0.3
207.10268	0.2
211.04124	0.1
213.01830	0.2
214.02722	0.3
215.03491	2.6
216.03766	0.2
225.02068	0.2
226.02707	1.0
227.03494	3.1
227.05762	0.2
228.03795	0.2
229.01453	0.3
231.02934	0.1
241.01465	0.3
242.02220	0.7
243.03017	3.4
244.03415	0.2
255.03038	0.9
257.00641	0.1
271.02527	43.9
271.99884	0.2
272.02884	3.4
282.01733	0.3
283.02496	0.1
298.01337	0.1
299.02020	100.0
300.02374	7.8
313.03500	0.2
331.19302	0.2
349.20242	0.3
350.20746	0.2
351.07327	0.1
353.08691	0.2
387.16727	0.9
449.14484	0.2
497.27216	0.1
549.11322	0.2
549.19873	3.2
550.20459	0.4
812.60504	0.1
849.36322	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	847.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	14.8
60.01590	0.3
60.08601	0.1
61.70374	0.1
61.98726	0.8
71.01273	1.7
71.04905	0.2
71.07233	0.1
71.40089	0.2
71.62625	0.3
73.02821	1.7
75.00737	0.2
78.95799	0.2
81.03350	1.3
83.01301	0.2
85.02846	4.7
89.02354	0.6
90.50182	0.1
93.03365	0.5
95.01295	0.7
95.04901	0.3
96.95925	0.3
97.02876	0.4
97.06476	0.2
99.04434	0.6
101.02351	1.3
103.03909	1.1
105.03388	0.3
108.02042	0.3
109.02844	0.3
113.02356	0.8
115.03893	0.3
117.03374	1.4
117.05491	0.5
119.04954	3.7
121.02882	0.3
122.03668	0.5
123.04458	0.3
132.02107	3.8
133.02888	2.8
133.05040	0.2
134.03668	51.3
135.04054	1.8
135.06554	3.4
135.08105	0.2
137.02383	0.7
139.03929	0.3
141.05426	0.2
143.03334	0.2
147.04471	0.3
148.05215	1.0
149.06027	20.8
150.03160	0.2
150.06313	1.1
151.03923	0.2
159.04466	0.3
160.01608	32.8
161.01936	1.5
161.09711	0.4
163.03958	4.0
169.06537	0.2
173.04634	0.2
173.09662	0.2
175.03967	45.2
176.04294	2.0
177.01913	0.9
177.05524	0.2
178.02675	1.9
179.03430	1.2
181.99071	0.2
187.11288	0.3
189.05568	0.2
189.12834	8.3
190.13165	0.6
191.05551	0.7
191.07137	1.9
193.05038	58.9
194.05368	3.2
195.04538	0.3
205.08688	5.5
206.09090	0.6
207.06578	0.2
207.10271	0.3
213.05556	2.5
216.96635	0.2
217.16000	0.4
235.06125	1.5
241.05078	15.8
242.05484	1.2
243.13902	0.3
256.07458	9.8
257.07764	0.7
259.20789	0.3
261.14993	0.3
269.19095	1.2
271.09811	23.7
272.10141	2.0
285.18649	0.3
296.09021	1.8
297.09561	0.3
303.19684	0.7
311.11435	100.0
312.11758	7.7
313.18161	56.3
314.15005	0.3
314.18500	5.9
329.17737	0.8
331.19153	0.8
332.19595	0.2
337.03503	0.3
347.18689	12.1
348.19012	1.6
355.11929	4.0
356.12015	0.2
361.20352	0.6
371.18616	1.0
389.19955	0.7
437.26538	0.2
446.56522	0.2
491.23007	0.8
492.23441	0.2
517.17334	0.3
625.30292	1.3
669.29364	0.2
763.33710	0.2
787.35645	0.2
847.33160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.1
61.95589	0.2
61.98719	14.0
63.02289	0.5
64.99943	0.2
65.00243	0.5
66.97182	0.2
69.03331	0.2
71.01270	1.5
71.04902	0.4
72.99187	0.2
73.02821	0.8
75.20027	0.2
83.01278	0.6
85.02840	1.3
87.00777	0.4
89.02335	0.4
93.03371	0.9
97.02879	0.3
99.00784	0.4
101.02349	0.8
107.01308	0.7
108.02100	0.3
109.02902	0.3
111.00805	0.4
111.04474	0.2
113.02362	0.7
117.03369	0.6
119.04944	2.5
120.05322	0.2
121.02840	0.2
123.04458	0.2
123.08085	0.3
124.01528	0.3
125.02387	0.5
131.03436	0.2
132.02087	0.2
133.02895	1.8
134.03694	0.5
135.04471	3.0
135.70612	0.2
137.02385	0.3
143.03461	0.2
145.02904	2.3
145.31030	0.2
146.03448	0.3
147.04422	0.6
148.01619	0.3
151.00298	1.3
151.03951	0.3
151.07555	0.2
153.03331	0.2
157.02914	0.5
158.03665	0.6
160.01596	0.3
161.02393	2.4
162.02907	0.3
163.00345	0.4
163.04002	1.0
164.01076	0.2
170.03676	0.5
171.04449	0.6
171.90703	0.2
172.01659	1.0
173.02388	1.3
173.04547	0.4
174.03165	0.5
175.03986	1.4
177.01895	0.3
179.03473	1.0
186.03192	1.5
187.03876	0.4
189.01932	0.6
189.09200	0.4
190.02553	0.2
191.05579	3.7
191.07112	0.2
192.05945	0.7
195.06654	0.4
197.02501	0.3
198.03181	1.0
199.03966	1.8
201.01904	3.6
202.02498	0.3
203.03444	0.3
209.11842	0.2
214.02705	3.1
215.03581	1.4
216.00578	0.3
217.01378	0.3
218.02296	0.2
219.02917	0.3
225.02136	0.2
226.02739	0.6
227.03555	1.6
229.01389	0.2
241.01453	7.1
242.02223	17.8
243.02988	9.1
244.03484	0.8
245.00952	6.0
245.11856	0.2
246.01216	0.4
254.02328	0.2
255.03050	2.0
257.04620	2.3
270.01761	21.0
271.02515	15.2
272.02991	1.3
273.00552	0.5
282.01764	0.3
283.02548	0.2
285.04120	10.0
286.04630	1.3
287.05640	0.5
298.01257	6.1
299.02032	9.9
300.02808	8.4
301.03192	0.6
307.08313	0.3
313.03610	100.0
314.04233	19.7
315.05157	20.8
316.05505	1.6
322.23175	0.2
329.17645	0.6
347.18665	2.2
348.19016	0.3
352.08060	0.5
353.09024	0.4
363.07153	0.3
387.16736	0.3
449.14514	0.3
489.10577	0.9
490.11066	0.3
491.12018	0.7
493.24634	0.3
535.25543	1.8
545.24158	0.4
549.20038	1.3
665.30145	0.6
666.30280	0.3
686.28772	0.4
687.29034	0.3
747.33868	0.2
748.33295	0.8
749.33435	0.4
785.35419	1.5
786.36267	1.4
849.36719	0.8
876.77332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	14.0
60.01588	0.2
61.98717	1.1
69.03356	0.2
70.66502	0.6
71.01276	1.5
71.04920	0.2
73.02828	1.4
73.53963	0.2
74.41869	0.2
75.94193	0.2
81.03371	1.1
84.37201	0.2
85.02846	4.3
87.00774	0.3
88.38501	0.2
89.02321	0.9
89.99076	0.2
93.03363	0.4
95.01288	0.3
96.95919	0.4
97.02871	0.2
99.04422	0.4
101.02332	1.0
103.03934	0.9
105.03391	0.3
107.04948	0.2
113.02356	0.9
115.03950	0.2
117.03396	1.0
117.05492	0.6
119.04934	1.2
121.02879	0.3
122.03642	0.6
123.04482	0.3
132.02106	3.5
133.02892	2.5
133.05049	0.2
134.03668	49.5
135.03986	1.8
135.06569	3.1
135.08096	0.2
137.02365	0.9
141.05505	0.3
146.67958	0.2
148.05241	0.7
149.06029	19.1
150.06342	0.6
160.01611	31.9
161.01897	1.3
161.09671	0.3
163.03975	1.0
175.03970	38.8
176.04280	1.8
177.01933	0.7
177.05524	0.2
178.02682	1.9
179.03450	0.8
187.11311	0.3
189.11131	0.4
189.12831	8.0
190.13179	0.5
191.05553	0.4
191.07143	1.7
193.05042	54.3
194.05370	2.5
205.08690	5.4
206.09087	0.4
213.05624	0.7
235.06168	1.0
241.05064	4.3
242.05511	0.4
243.13901	0.4
256.07437	2.9
265.07318	0.2
269.19229	1.1
271.09824	7.1
271.12738	0.4
272.10159	0.5
296.09088	1.6
311.11435	100.0
312.08109	0.3
312.11758	7.1
313.18167	55.4
314.14990	0.4
314.18491	5.2
329.17502	0.4
331.19098	1.0
331.91879	0.2
341.62143	0.2
347.18756	3.1
348.19116	0.6
355.11890	1.0
356.12524	0.2
371.18729	0.2
389.19769	0.3
401.55484	0.2
625.30121	1.2
651.28479	0.2
669.28851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.8
63.06803	0.2
65.35515	0.3
67.01780	0.7
69.03358	0.4
70.87719	0.7
71.01270	2.6
73.02847	0.6
75.00738	0.4
78.70019	0.2
78.95807	0.4
81.68768	0.2
83.04926	0.4
85.02840	6.8
87.00769	1.8
89.02351	0.9
91.05461	0.2
93.03356	4.8
95.01296	0.5
96.95940	0.3
97.02876	0.3
99.00788	0.4
99.04440	0.7
99.47706	0.3
101.02375	0.6
103.00246	0.3
107.04951	0.5
108.02065	1.7
108.13640	0.3
109.02888	1.1
111.00800	1.0
111.04425	0.9
113.02351	1.3
117.97202	0.3
119.05003	0.2
121.02853	1.7
122.03680	0.6
123.00790	0.3
123.04400	0.4
124.01578	3.6
125.02382	1.8
126.03157	0.7
127.03933	2.1
127.07571	0.4
127.99720	0.3
132.02097	0.8
133.02898	1.3
134.03676	3.7
135.04448	64.9
136.04774	2.2
137.02399	2.1
139.03922	0.4
143.03484	0.3
145.02913	0.3
146.05783	0.4
149.02452	0.3
149.05995	0.5
150.03134	2.3
151.03957	7.2
153.01790	0.3
160.01575	1.0
161.02390	4.3
162.03061	0.4
163.03938	0.5
171.02911	0.6
173.04529	2.2
175.03995	0.6
177.05551	0.4
178.02681	0.5
179.03459	15.2
180.03906	0.7
181.04956	0.5
191.05582	100.0
192.05936	3.3
194.02170	0.5
203.03401	0.3
227.10800	0.3
239.07268	0.5
253.08719	0.5
253.47534	0.2
267.10434	0.5
268.11057	0.7
290.08167	0.5
307.08316	1.1
308.09042	3.4
313.18066	0.2
352.08038	4.6
353.08823	20.0
354.09241	1.8
395.09818	0.8
449.23419	1.5
493.22424	6.2
494.22809	0.6
511.23587	0.6
617.59998	0.2
655.27948	1.7
656.28308	0.3
667.27869	0.4
685.28790	17.4
686.28931	3.1
727.29883	0.6
743.38989	0.7
748.84363	0.3
829.35284	0.4
829.86133	0.3
847.34088	12.9
848.34723	2.8
856.44153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81848	0.1
66.30322	0.1
70.98066	0.4
71.01277	0.2
72.92380	0.1
74.45386	0.1
85.02849	0.2
87.00770	0.2
93.03361	13.6
94.03696	0.5
96.99214	2.6
106.04174	0.3
107.04954	0.3
108.02093	0.4
109.02871	0.2
117.03375	1.2
119.04947	21.5
120.05278	0.9
121.02842	0.4
123.04463	0.9
129.03482	0.2
130.04192	0.8
131.04958	2.9
132.05737	0.6
133.02895	2.4
133.06474	0.2
135.04442	0.2
135.35297	0.1
137.02396	0.3
143.04967	11.5
144.05334	0.4
145.02898	1.7
145.06535	0.7
147.04475	0.2
151.07637	0.5
158.03682	0.1
159.04462	0.7
163.03958	17.2
164.04317	0.8
171.04440	1.3
173.04517	0.4
191.05576	2.1
195.06625	1.5
195.08212	0.2
198.19836	0.1
203.03490	0.3
210.06758	0.2
211.07642	3.8
212.07997	0.3
214.41608	0.1
219.06354	0.2
219.08145	0.5
221.09702	1.3
222.06845	0.4
223.07684	0.8
228.43604	0.1
235.07646	2.0
236.08392	0.2
237.09262	3.7
238.09512	0.3
239.10814	0.9
247.07730	0.4
263.07217	0.4
264.07889	0.3
265.08752	12.8
266.09042	1.1
281.08316	0.2
283.09818	2.9
284.10263	0.2
309.07742	3.5
310.08035	0.3
327.08807	100.0
328.09149	8.2
357.11969	1.0
412.58105	0.1
587.16101	0.2
612.29150	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	847.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	3.7
67.01766	0.4
69.03345	0.5
70.90160	0.2
71.01273	0.7
73.02844	0.2
77.03867	0.3
78.95795	4.7
81.03365	0.3
83.01290	0.5
83.04942	0.4
85.02844	0.7
87.00767	0.9
89.03859	0.6
93.03351	2.1
95.01309	0.2
95.04945	0.5
96.95924	0.2
96.96864	2.9
97.02872	0.7
101.02345	0.3
101.81762	0.2
105.03377	0.7
106.04141	0.3
107.04929	0.9
108.02041	0.2
109.02856	2.0
111.00797	0.7
111.04430	1.0
113.02357	0.3
115.77248	0.2
117.03386	2.9
119.04948	15.7
120.05298	0.6
121.02879	1.4
123.04443	0.5
129.01859	1.7
130.04163	0.2
131.04959	0.6
132.02086	2.4
132.05711	0.3
133.02884	46.2
133.06544	1.1
134.03749	3.1
135.04451	48.6
136.04785	2.1
137.02388	1.7
139.03943	1.0
145.02892	9.5
145.06537	0.3
146.03284	0.4
150.03133	0.3
155.03419	0.3
159.04471	5.5
160.04816	0.2
161.02393	100.0
161.05946	3.1
162.02734	4.4
163.03961	13.3
163.05389	0.4
164.04294	0.9
165.01909	0.3
169.06592	0.2
172.05028	0.3
173.04515	0.5
173.05992	0.4
177.05560	0.6
178.02667	0.6
179.03465	34.2
180.03796	1.6
183.02931	0.3
183.08168	0.2
185.06018	0.2
187.03983	0.2
187.07629	0.5
191.05573	2.6
195.06682	0.4
197.06061	0.4
201.03993	0.7
201.05615	0.6
203.03493	2.0
205.05032	2.1
211.07590	0.2
213.05618	0.4
215.07100	1.7
221.04576	0.7
229.12424	0.2
233.09470	2.2
234.09625	0.2
239.07248	1.3
241.04991	0.2
243.05159	1.1
249.08896	0.2
255.06738	0.2
257.04517	0.3
257.08301	0.9
259.06186	0.7
259.09860	0.2
273.07648	0.2
285.07819	0.3
301.07242	0.6
319.08493	0.5
329.06772	1.4
347.08124	0.3
347.18497	0.9
363.07483	0.3
365.08688	0.3
365.19815	0.8
397.08862	0.3
405.08514	0.3
407.09995	0.7
423.09396	3.5
424.09656	0.3
437.12738	0.4
465.11990	1.4
467.71817	0.2
489.17880	0.7
509.11078	1.8
510.11234	0.3
527.12195	1.3
569.13135	83.6
570.13477	13.1
613.21045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00996	1.0
59.01268	16.9
59.63693	0.8
61.98708	1.7
69.03347	1.6
70.04336	2.9
70.68886	1.0
71.01274	15.3
73.02831	2.7
81.03346	0.9
85.02851	4.7
87.00780	5.0
89.02333	11.1
95.01290	1.1
95.04932	1.6
97.02850	2.1
97.06508	13.0
98.20448	1.0
101.02348	11.7
108.30595	0.8
113.02379	6.3
119.03406	2.2
123.08093	7.1
125.02359	3.2
125.09647	71.6
126.09962	3.0
139.09117	0.9
139.93506	1.0
143.03409	1.1
161.04491	1.7
163.04024	0.8
169.08633	2.0
173.04477	1.8
175.75574	0.8
187.09753	35.2
188.10022	1.7
191.05573	3.8
221.06604	1.5
235.08296	1.8
277.21796	29.9
278.22089	3.1
293.82755	0.8
301.68521	0.8
375.00726	1.0
397.13522	2.9
567.23181	2.3
585.24207	2.0
845.45581	100.0
846.45862	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	14.0
61.98722	0.5
69.03344	1.4
69.14825	0.5
71.01274	14.5
71.58987	1.0
72.99220	1.7
73.02847	1.6
75.00777	0.6
78.95785	1.0
80.96404	0.6
81.03350	0.9
83.01278	1.6
83.04932	0.9
85.02847	3.9
87.00767	4.4
89.02342	11.8
93.03368	1.8
95.01295	1.3
95.04931	1.4
97.02863	2.0
97.06497	14.6
97.47625	0.5
99.00797	1.2
99.04430	3.6
100.64709	0.5
101.02356	9.1
113.02364	4.9
119.03420	2.1
119.04974	0.8
121.02890	0.6
123.07268	0.9
123.08089	8.3
125.02348	2.6
125.09650	100.0
126.09988	3.2
127.03809	0.6
131.03421	0.7
135.04475	0.6
137.02458	0.6
143.03438	1.0
143.10750	1.1
161.04517	1.5
163.03973	0.6
169.08665	2.0
173.04558	1.7
179.05577	1.6
186.45131	0.5
187.09738	68.6
188.10080	3.1
191.05594	6.1
209.11842	1.4
211.09709	1.0
221.06700	3.8
235.08319	1.1
243.60603	0.5
253.09235	0.6
277.21805	13.5
278.22205	1.8
331.19232	0.6
352.65399	0.6
397.13611	1.0
415.14801	0.6
529.25403	0.9
567.22906	2.8
585.24231	4.5
686.92456	0.6
820.98334	0.6
845.45612	96.8
846.45947	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	845.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	23.8
61.60089	1.5
61.98720	3.3
64.19952	2.0
71.01267	24.4
72.43536	1.9
72.99205	4.6
73.02850	4.4
75.00765	3.6
78.95811	2.4
83.01276	3.3
85.02843	24.2
87.00763	5.9
89.02335	11.4
92.51815	1.8
93.03339	4.2
95.01271	4.4
96.95888	5.3
97.02870	2.3
99.00746	6.3
99.04424	3.8
101.02363	8.0
111.00775	4.6
113.02355	21.4
117.03369	8.8
119.04948	100.0
127.03944	3.8
131.03429	7.4
133.02786	2.8
134.03656	1.7
135.04431	6.6
139.00301	2.3
143.03433	5.1
144.76816	1.6
145.02888	61.2
161.02365	2.1
173.04440	3.3
175.03914	2.6
179.03444	3.1
191.05568	15.2
229.72256	1.8
256.67697	1.8
271.02380	3.5
299.02011	8.0
300.02478	2.1
301.03067	2.1
313.03500	7.4
329.03085	5.9
353.08743	3.6
353.18866	2.4
354.09369	2.0
356.20239	2.3
399.20526	6.9
439.32278	3.8
440.32858	2.9
444.74030	1.9
487.34302	2.9
502.23520	4.5
545.24243	10.6
551.87714	1.9
552.15674	2.1
665.30017	13.9
666.30383	3.2
748.32861	5.7
748.83759	30.7
749.34326	9.0
749.83722	6.1
755.34277	5.3
755.84760	2.5
778.83459	2.3
785.35724	57.2
786.36383	16.6
814.85919	30.2
815.36200	12.4
815.85864	6.0
844.87268	12.2
845.37048	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	845.347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
59.43125	0.5
60.01595	0.8
61.05482	0.6
69.03349	0.9
70.35851	1.1
70.36243	1.1
71.01272	21.1
72.99184	0.7
73.02838	13.1
76.85940	0.6
79.05428	1.0
81.03359	1.4
83.01278	4.7
85.02349	0.9
85.02831	5.0
87.00768	1.2
89.02343	9.6
95.01279	1.1
96.95913	2.3
97.02879	0.8
97.06524	0.6
99.00792	1.2
99.04422	63.3
100.04785	1.5
101.02350	35.1
102.02743	0.7
113.02359	10.6
113.06046	1.5
119.03427	4.5
121.02911	1.6
123.04457	6.1
125.02372	26.6
126.02719	1.1
131.03465	1.7
133.02864	0.7
135.04489	1.5
137.02472	0.6
141.05533	1.0
141.25404	0.5
143.03429	7.5
144.59653	0.5
148.05261	0.7
149.04541	4.8
153.05502	1.2
158.68752	0.6
159.02985	0.8
161.02422	1.4
161.04509	13.4
164.04793	1.6
173.04549	1.2
179.03473	0.7
179.05609	2.8
179.07176	2.3
189.07823	0.8
191.05617	2.7
195.06644	1.2
203.05583	1.5
221.06602	4.2
223.26208	0.5
224.77550	0.5
243.08745	0.7
261.09790	0.8
266.37897	0.6
283.12143	0.7
323.11597	0.7
325.12952	3.5
331.17700	5.4
332.18393	0.6
365.16403	0.8
373.18787	8.0
386.08844	0.7
427.16174	57.7
428.16510	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	845.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	9.1
60.52836	0.3
65.19268	0.3
67.01772	0.6
67.65520	0.3
69.37613	0.8
69.38017	2.2
71.01268	5.0
71.04900	1.0
73.02834	3.6
78.95793	0.4
81.03347	0.9
83.01274	1.0
83.04907	0.8
85.02838	15.9
86.03191	0.4
87.00770	3.1
89.02345	1.3
93.03355	7.2
95.01319	0.4
95.73572	0.3
96.95901	0.8
97.02873	0.9
99.00790	0.5
99.04427	0.7
101.02346	3.7
105.03360	0.6
105.36388	0.3
108.02077	1.5
109.02856	3.6
111.00841	0.6
111.04410	1.9
113.02343	1.7
117.03379	3.4
119.03400	0.7
119.04959	0.5
121.02863	1.0
121.30910	0.3
123.04412	0.8
123.08060	1.8
127.03923	3.4
127.07569	1.1
132.02083	2.3
133.01840	0.7
133.02872	17.4
134.03601	1.1
135.04445	17.5
136.01573	0.8
136.04776	0.7
137.02373	0.9
143.03439	0.5
145.02904	0.7
146.03629	0.7
147.04460	2.4
147.28169	0.3
149.02388	0.5
149.04483	0.8
155.03389	0.5
159.04453	1.1
160.01601	2.9
161.02382	71.3
161.09735	0.6
162.02716	3.1
163.03911	0.9
165.05472	0.4
171.02888	0.9
172.05212	0.4
173.02382	0.5
173.04510	2.8
173.05972	0.8
174.03149	0.7
175.03989	1.1
175.07603	0.5
177.01884	0.4
177.05544	0.5
179.03447	8.4
179.05641	0.7
180.03796	0.3
185.06018	1.9
186.06807	1.1
187.03917	0.6
189.05586	0.5
189.09145	0.7
191.05573	100.0
192.05899	4.0
195.06612	0.5
198.03416	0.3
199.03970	0.4
201.05510	1.1
202.06323	0.9
205.08698	1.0
213.05545	1.6
214.06328	4.4
215.07027	1.2
216.07579	0.3
221.06624	0.5
227.07062	0.4
229.05118	1.1
230.05852	2.0
245.11876	0.5
257.04550	0.8
258.05344	1.0
259.05920	0.4
268.38403	0.3
271.02472	0.5
282.01184	0.3
283.09946	0.3
285.18579	0.4
299.02011	0.9
300.02686	0.4
303.19775	1.2
313.03552	1.0
323.07788	4.9
327.12427	0.8
329.17624	2.9
331.19055	1.4
341.08813	1.3
347.18649	3.8
348.18951	0.3
349.20398	1.5
353.08823	3.1
425.91251	0.3
433.15103	6.7
434.15466	0.9
447.21848	0.4
464.62769	0.3
491.20862	0.5
502.18298	0.5
515.14124	6.2
516.14484	0.7
530.18018	0.6
625.20703	0.5
653.26141	50.8
654.26508	10.6
671.27155	2.5
845.32550	24.6
846.32745	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	843.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	20.1
61.98724	1.3
69.03358	0.5
71.01270	15.0
72.99197	1.9
73.02850	1.0
78.70737	0.3
83.01302	1.4
85.02853	5.6
87.00759	0.9
89.02336	11.1
95.01324	1.2
96.05537	0.3
96.95941	0.9
97.02854	18.6
97.06487	1.2
98.03168	0.5
99.00796	1.0
101.02351	9.5
107.04945	0.4
109.02872	1.2
109.06516	0.6
113.02362	5.2
119.03430	3.7
123.08080	1.6
125.02399	0.6
127.07570	32.9
128.07933	1.2
131.03453	0.4
141.09174	0.8
143.03459	0.4
147.08116	1.9
148.82230	0.4
161.09700	1.7
163.11238	2.7
165.05521	1.6
165.09149	0.6
179.10783	1.0
181.12268	0.6
187.11589	0.4
187.13342	0.9
189.05746	0.4
189.12817	2.1
191.05588	1.2
191.07108	15.1
191.08868	0.8
192.07523	0.7
195.06589	0.7
203.14441	1.3
205.08685	13.5
206.09343	1.0
207.10255	2.9
221.08247	2.1
221.15475	1.9
223.09824	1.0
225.11313	1.8
255.03044	0.5
269.19104	1.8
271.17001	0.4
283.17038	1.1
284.03189	0.6
284.17120	0.4
285.04025	0.8
285.18744	0.4
287.20248	1.1
295.16895	0.4
313.18161	13.5
314.18472	1.8
315.19675	0.7
331.19223	66.8
332.19571	7.4
349.20215	4.2
373.20023	0.8
375.30850	0.4
391.21432	0.6
475.23108	0.5
493.24548	13.6
494.24991	1.6
511.25595	100.0
512.25928	13.8
609.09967	0.4
621.33173	0.5
761.28125	0.5
825.44305	4.0
826.45404	1.3
843.45490	35.1
844.45923	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	843.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	20.8
61.98708	0.7
65.18063	0.5
69.03364	1.1
71.01269	16.6
71.58056	0.9
72.04452	0.9
72.99207	3.2
73.02840	2.0
75.00757	1.2
80.96397	1.6
82.12463	0.6
83.01286	1.6
85.02840	7.2
87.00787	2.7
87.04385	0.7
89.02342	10.9
95.01293	2.2
96.95911	2.1
97.02851	18.5
97.06526	1.1
98.03188	0.8
98.74336	0.5
98.90648	0.6
99.00789	1.8
101.02348	8.2
109.02911	1.4
113.02355	8.4
119.03436	4.5
121.06439	0.6
122.03681	0.7
123.04507	0.7
123.08039	1.1
125.02359	6.8
127.07576	31.2
128.07930	1.6
131.03415	0.8
137.02412	0.7
141.09189	0.8
142.02647	0.7
143.03423	1.2
147.08063	0.6
151.07547	1.4
152.00183	2.4
161.09677	0.8
163.11348	1.0
165.05534	2.6
165.09329	0.6
167.03471	1.0
173.04514	0.9
179.10756	0.7
181.12267	0.9
187.11281	0.7
189.12836	1.7
191.05647	1.2
191.07108	21.2
192.07465	0.6
195.06631	3.8
203.14435	1.0
205.08682	17.9
206.09283	1.4
207.10286	2.9
221.08206	2.4
221.15465	1.3
223.09779	0.9
225.11261	1.9
246.29050	0.7
269.19284	0.9
283.17148	1.4
285.18549	0.7
287.20126	0.7
312.12567	1.5
313.18204	16.6
314.18527	1.9
318.22382	0.6
326.88507	0.7
331.19226	94.4
332.19586	11.7
349.20273	15.8
350.20804	1.9
357.11514	0.8
373.20355	5.1
374.20776	0.7
391.21521	3.5
421.22372	3.1
433.22003	0.7
451.23395	5.4
452.23679	1.0
475.23590	1.9
493.24490	15.6
494.24777	2.8
511.25607	100.0
512.26007	15.1
558.84845	0.9
732.34125	1.8
732.83936	1.4
753.29462	0.7
813.87158	1.1
825.44348	2.8
843.45544	25.4
844.45844	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	843.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.1
60.99196	2.5
61.98719	15.0
65.03858	0.6
65.99878	0.3
67.01782	8.2
67.10802	0.3
69.03349	2.4
69.73106	0.3
71.01271	8.0
71.57578	0.4
72.01591	0.5
72.99205	0.8
73.02842	1.1
81.03349	1.7
83.01278	1.4
83.04928	1.9
83.37925	0.3
85.02847	10.4
85.03361	0.7
86.03197	0.8
87.00775	12.9
88.01141	0.4
89.02360	1.7
93.03362	57.9
94.03708	1.6
95.01311	1.0
96.95911	1.3
97.02861	1.8
99.00780	1.4
99.04436	0.7
101.02340	4.2
102.02681	0.5
108.02107	0.3
109.02881	1.9
111.04432	6.9
112.04819	0.3
113.02363	3.8
114.02691	0.5
119.04932	0.6
121.02869	0.5
125.02390	0.6
127.03926	2.2
127.07568	0.9
129.01849	1.8
131.03513	0.4
133.02870	0.8
134.03668	21.7
135.04385	1.3
137.02383	3.9
139.00327	0.3
139.03964	0.9
143.03445	0.7
145.02896	0.5
149.06010	5.5
150.03146	0.4
150.06331	0.5
152.22488	0.3
153.01900	0.3
155.03456	2.8
160.01617	1.1
161.02350	0.4
161.04469	1.0
163.03935	0.7
163.07594	0.4
171.02965	0.7
171.70218	0.3
173.04517	13.7
174.04831	0.7
175.03961	1.2
178.02686	11.0
179.03392	1.0
189.12773	1.4
191.05589	100.0
192.05930	3.3
193.05045	22.9
194.05359	1.2
205.08707	1.0
313.18143	2.4
331.19257	1.8
349.20313	0.4
367.10406	6.9
367.14725	0.5
368.10748	0.8
409.11172	1.4
529.15814	3.1
681.38965	0.5
747.35736	0.4
782.48022	8.1
782.69800	0.4
783.48224	7.3
813.38593	1.5
813.88287	0.6
843.34619	55.3
844.35028	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	843.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	3.6
60.99195	5.7
61.98711	1.0
65.03855	0.8
67.01781	15.9
67.30676	0.4
69.03359	4.5
70.34372	1.7
71.01275	7.8
71.04893	0.4
72.99187	0.5
73.02843	1.0
80.80386	0.4
81.03371	3.3
83.01278	0.5
83.04918	2.9
85.02847	7.0
87.00780	17.1
89.02342	1.7
93.03364	100.0
94.03697	3.0
95.01289	1.0
96.95922	0.8
97.02834	1.0
99.00791	2.4
99.04420	1.4
101.02338	1.4
105.28689	0.4
109.02871	1.5
111.00801	0.6
111.04436	11.5
111.60793	0.5
113.02357	3.9
115.03922	0.8
127.03946	1.2
129.01845	1.8
131.03386	0.8
133.02937	0.6
134.03671	12.6
137.02383	3.5
139.03986	0.5
143.03436	1.0
149.06030	3.5
155.03456	2.5
155.04503	0.4
160.01656	0.5
161.04504	0.5
173.04524	36.8
174.04831	1.0
178.02661	7.5
179.03282	0.6
189.12793	0.9
191.05594	46.7
192.05959	1.9
193.03331	0.8
193.05049	14.6
194.05501	0.5
205.08752	0.7
282.25964	0.4
313.18240	3.4
367.10336	4.2
377.05685	0.4
431.58633	0.4
438.26913	0.5
439.32349	1.3
529.15741	4.3
763.34314	1.4
813.84937	0.5
814.35498	1.4
843.34650	45.4
844.35315	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	843.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86820	0.1
59.01268	1.0
62.23156	0.1
63.02297	0.3
65.00202	0.1
67.01764	0.1
69.01375	0.1
69.03339	0.1
71.01267	0.9
71.57020	0.2
72.99207	0.2
73.02828	0.3
75.00766	0.2
83.01278	0.4
85.02843	1.0
86.03169	0.1
87.00764	0.2
87.04403	0.2
89.02340	0.4
89.03860	0.1
93.03366	0.5
95.01299	0.2
95.04929	0.1
96.95940	0.2
97.02866	0.2
99.00776	0.3
101.02331	0.3
105.03380	0.4
107.01303	0.3
108.02119	0.1
109.02864	0.2
111.00796	0.2
111.04449	0.2
113.02355	0.9
115.03904	0.2
117.03365	0.5
119.03467	0.1
121.02867	0.2
123.04498	0.1
125.02365	0.3
126.56634	0.1
127.03928	0.3
131.03403	0.2
132.02101	0.2
133.01849	0.1
133.02881	2.5
134.03673	4.5
135.00761	0.1
135.04488	1.0
137.02338	0.3
139.00345	0.1
143.03419	0.3
145.02898	0.2
146.03604	0.2
149.06032	0.3
149.99538	0.1
151.00302	0.5
155.03461	0.2
158.03703	0.5
160.01495	0.1
161.02412	0.6
161.04495	0.1
169.01414	0.2
169.02773	0.1
170.03749	0.4
172.01613	1.0
173.04547	0.7
174.03159	0.2
175.03984	0.1
177.01891	1.1
178.02637	0.2
178.99866	0.1
179.03476	0.5
180.54474	0.1
183.04263	0.1
185.02408	0.2
186.03181	1.5
187.03780	0.1
189.01910	0.5
190.02579	0.2
191.05560	0.9
192.00606	0.1
193.05038	4.4
194.05368	0.4
195.06589	0.2
196.06894	0.1
198.03189	1.4
199.03885	0.3
200.01186	0.1
201.01886	0.3
202.02789	0.2
210.03136	0.1
213.01894	0.3
213.05463	0.1
214.02710	3.3
215.03282	0.4
215.05283	0.1
216.00641	0.4
217.01352	0.4
218.02168	0.3
226.02774	0.5
227.03433	0.3
238.02748	0.1
241.01445	8.4
242.02214	18.3
243.02812	2.1
245.00940	7.9
246.01204	0.5
254.02254	0.1
255.03032	0.2
257.04691	0.4
269.01068	0.1
270.01746	20.9
271.02322	2.5
273.00446	0.6
274.01175	0.2
282.01727	0.7
285.04123	7.2
286.04471	0.6
298.01236	6.2
299.01776	0.8
300.02765	0.3
313.03601	100.0
313.83850	0.1
314.03992	8.8
315.05045	0.3
333.06323	0.4
349.09241	0.1
351.07172	0.6
353.08646	0.1
367.10461	0.6
391.10440	0.2
439.32306	0.2
487.34229	0.2
527.12006	0.6
697.31451	0.2
740.34076	0.2
740.84601	0.2
741.36438	0.1
748.33484	0.4
748.83936	0.2
763.33704	0.1
770.34723	0.9
770.85028	1.5
771.35065	0.6
771.85638	0.3
821.37048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	25.1
60.01592	0.4
61.98711	1.2
67.01792	0.4
69.03351	0.6
71.01273	28.8
71.58533	0.5
71.58923	0.4
71.68937	0.4
72.01619	0.5
72.99200	2.1
73.02841	6.0
75.00791	0.4
81.03353	0.3
83.01275	5.2
85.02844	13.7
87.00777	6.1
89.02347	11.3
93.03355	0.5
95.01289	3.3
96.95908	1.7
97.02846	1.8
99.00775	3.1
101.02351	23.9
111.00793	0.8
112.01575	0.4
113.02361	15.0
116.92805	0.4
119.03412	2.4
123.04432	0.9
125.02367	2.5
127.07568	0.4
131.03416	2.6
133.02956	0.3
135.04430	0.5
136.45879	0.3
137.02328	0.4
143.03397	1.7
148.68877	0.3
159.02971	0.5
160.94284	0.3
161.02382	0.3
161.04523	5.8
163.07565	1.6
167.03436	3.6
174.89053	0.3
179.05592	0.5
186.08701	0.3
191.03618	0.4
191.05585	1.4
195.06650	0.6
221.06732	1.9
221.90179	0.3
271.43600	0.3
313.18250	0.7
323.51080	0.4
329.08789	1.0
329.17487	0.5
334.93808	0.3
457.37512	0.6
619.40546	0.6
637.40106	0.7
643.27515	0.5
679.40546	0.6
781.47644	100.0
782.48004	22.8
782.62811	0.6
841.44745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	21.4
59.64111	0.5
68.15131	0.5
69.03335	0.8
70.10951	0.5
70.29465	0.6
71.01271	13.2
71.04916	6.4
71.60721	0.9
72.99213	1.5
73.02856	1.6
80.79532	0.7
81.03374	0.7
83.01302	1.0
85.02856	5.8
89.02344	10.2
89.02849	1.0
95.01289	1.2
95.93952	0.6
97.02862	17.4
99.00806	0.9
101.02356	9.3
109.02883	1.7
113.02354	5.6
119.03431	3.7
119.04147	0.7
121.06524	1.6
123.08084	22.8
124.08424	0.9
125.02323	0.9
127.07578	27.2
128.07919	1.1
133.10204	0.8
151.07617	0.9
152.00183	1.0
161.09637	1.7
163.07600	0.7
163.11305	0.8
165.05504	1.8
177.09105	0.8
179.10762	1.0
189.09229	3.8
189.12813	1.8
191.05588	1.5
191.07088	14.8
195.06680	3.6
203.14406	0.9
205.08705	18.8
206.09151	1.8
207.10265	2.7
221.08202	1.5
221.15501	1.6
223.09732	1.3
225.11337	1.9
231.13983	0.8
237.46825	0.7
245.11879	0.8
259.20786	0.7
269.19125	1.5
283.17059	0.8
285.18671	1.9
287.12878	0.8
287.20343	1.3
303.19763	1.7
313.18179	11.3
314.18475	1.2
329.17661	91.7
330.17932	8.7
331.19214	7.7
332.19727	1.2
347.18689	10.1
348.19220	1.0
349.20538	0.8
361.25211	0.8
371.18643	1.4
389.19809	2.0
404.61530	0.6
475.22174	0.6
493.24588	12.8
494.24445	1.2
511.25607	100.0
512.26001	13.1
823.43445	3.5
824.43518	0.7
841.43970	25.1
841.59998	1.3
842.44635	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	841.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	14.7
67.01766	0.5
68.99702	0.5
69.03336	0.8
71.01274	25.4
71.39630	0.5
71.39960	0.5
72.01594	0.3
72.99203	4.3
73.02845	5.1
75.00766	27.7
78.95793	4.7
83.01288	3.1
84.02040	0.5
85.02847	31.9
85.99998	1.0
86.03159	0.7
87.00774	6.1
89.02344	3.9
93.03358	1.5
95.01282	2.8
96.96862	3.7
99.00166	0.7
99.00783	8.1
101.02345	8.7
102.98980	0.3
111.00767	0.6
112.01585	0.5
113.02360	24.6
114.02634	0.4
115.00281	2.5
116.01070	2.7
117.01869	1.7
119.03413	0.4
119.04964	1.0
129.01837	0.5
131.03432	0.4
132.02110	0.4
134.03682	2.2
137.02405	0.4
143.03400	0.4
145.02846	0.5
149.04433	0.4
157.01331	0.9
160.01614	3.0
161.02412	0.4
161.04478	0.9
163.03957	0.7
169.13443	0.3
173.04541	1.1
175.02432	1.1
175.03967	3.0
179.03528	0.4
191.05595	2.5
193.05032	2.1
193.06543	0.3
233.09499	3.2
317.37421	0.3
323.24936	0.3
327.08780	0.3
409.31207	0.5
411.32825	0.5
427.32251	1.0
439.32333	1.2
453.29950	0.3
459.34799	1.1
503.19650	0.5
503.33859	1.3
593.62494	0.4
607.20129	3.8
608.20062	0.4
617.36646	0.4
739.43500	0.3
797.35809	0.4
841.42493	100.0
842.42743	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.2
69.03346	1.4
69.55207	1.2
70.42363	0.1
71.01266	0.8
73.02830	0.2
77.03864	0.2
79.08672	0.2
83.01304	0.2
85.02844	0.5
87.25980	0.2
89.03883	0.5
91.05398	0.1
93.03343	0.3
96.95928	0.4
97.02853	3.2
101.02349	0.3
104.02586	0.2
105.03358	0.6
107.04931	0.2
109.02856	0.3
113.02351	0.2
115.01831	0.5
115.03935	0.5
117.03374	0.7
119.04902	0.2
121.02881	0.2
123.04438	0.7
123.08099	0.4
127.07542	0.4
132.02101	2.4
133.02882	45.7
134.03278	1.5
135.04451	14.7
136.04822	0.4
137.02385	0.5
158.22568	0.2
158.24060	0.2
159.04474	0.5
159.13176	0.2
160.01509	0.2
161.02390	100.0
162.02736	4.1
163.03972	0.2
173.04529	0.2
175.03931	0.3
177.05511	0.3
179.03465	7.5
180.03801	0.3
191.05569	0.6
191.07089	0.4
195.06592	0.6
203.03526	1.0
205.08669	0.3
222.76009	0.2
224.07707	0.2
323.07703	0.3
329.17648	1.4
331.19272	0.2
347.18741	0.2
383.09906	1.3
511.25635	1.5
628.78436	0.2
755.33191	1.5
756.33563	0.3
797.34064	39.5
798.34412	9.8
841.44806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.1
61.98708	2.0
65.00220	0.9
66.58932	0.7
71.01260	3.0
71.58983	1.1
71.59347	0.7
74.93002	0.7
79.95622	0.9
81.03347	3.7
83.01273	1.6
84.77711	0.7
85.02868	1.5
85.06477	0.9
89.02351	1.1
93.03385	0.8
96.95921	12.0
97.02930	0.8
98.95510	1.5
101.02366	1.3
101.05977	0.9
106.28239	0.7
109.06513	2.7
111.04431	2.8
113.02353	1.0
116.92749	1.1
125.02370	6.0
151.06357	1.6
151.07593	32.4
152.07870	1.3
171.10225	2.5
174.23407	0.8
179.07143	1.0
195.06613	100.0
196.06952	4.2
201.11375	1.8
209.11823	1.3
219.06651	10.3
223.09520	1.4
235.08337	2.1
237.07733	4.1
249.07927	0.7
253.09267	6.4
277.21790	17.4
279.23239	0.8
283.11887	1.4
317.55234	0.9
325.20377	2.1
343.21402	11.4
344.21756	0.9
357.11993	10.4
359.42783	0.7
432.87451	0.8
528.16852	0.8
617.33484	32.8
618.33716	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	841.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01599	1.5
64.84473	0.8
69.03343	1.5
71.01271	52.5
72.01598	1.2
72.99205	3.4
73.02837	53.7
73.41705	0.6
74.03172	0.9
75.00774	1.0
76.52944	0.7
78.95802	9.5
83.01283	19.8
84.01485	0.8
85.02850	11.4
87.00779	3.6
89.02342	13.7
93.03365	2.4
95.01295	2.9
96.95932	1.9
96.96861	5.5
97.02843	1.0
98.20566	1.8
99.00774	1.1
101.02348	60.8
102.02641	1.0
102.18016	0.8
108.02077	1.7
109.02856	4.0
113.02361	27.3
119.03411	9.5
120.03793	0.7
121.02866	4.2
123.04430	2.5
125.02312	2.1
131.03407	5.8
133.02888	1.8
134.03580	1.1
135.04446	3.3
137.02371	1.4
143.03416	8.4
149.04509	14.9
149.05696	1.5
150.71364	0.8
151.04047	1.0
155.03442	2.4
159.04465	2.4
160.05247	9.7
161.02383	2.9
161.04509	25.8
161.05875	1.8
162.15005	0.7
163.04021	1.2
171.04474	1.0
172.05276	5.0
172.06529	0.8
173.04507	2.4
173.06023	3.4
174.06543	0.9
175.07597	4.4
177.01900	1.0
179.03474	3.1
179.05602	1.8
187.07574	1.6
189.05528	8.7
190.06316	10.7
191.05556	8.8
191.07083	0.8
203.05602	2.9
203.07266	0.9
205.08694	9.2
206.08951	1.1
221.06700	9.4
229.73331	0.9
233.09567	3.6
263.06906	1.0
271.02545	2.1
274.98441	0.9
281.08142	2.6
296.10596	5.8
297.11105	1.0
299.02066	3.1
308.10416	1.1
311.12955	8.2
312.13486	1.2
326.11685	1.3
329.13681	1.0
341.14011	40.3
342.14331	3.2
351.07111	0.8
388.75970	0.8
449.39780	0.8
503.19360	41.4
504.19662	5.5
521.20374	6.4
563.21515	34.3
564.21680	5.6
575.35785	1.0
841.42712	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	839.394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01596	1.0
61.01678	0.1
69.03336	0.1
70.45290	0.4
71.01270	11.0
72.01627	0.2
72.99200	0.3
73.02837	3.7
74.03111	0.1
75.00762	0.3
75.44224	0.1
83.01292	1.3
85.02843	4.8
86.03197	0.1
87.00776	0.7
89.02339	2.8
93.03371	0.3
95.01286	0.7
96.95901	0.1
97.02885	0.2
99.00792	1.3
101.02346	8.1
102.02682	0.3
111.00814	0.2
111.04434	0.1
113.02358	4.7
114.02641	0.1
119.03411	0.7
125.02373	0.4
125.09648	0.2
128.15251	0.1
129.01901	0.2
135.04448	0.2
143.03424	0.5
149.04524	0.1
159.02957	0.9
161.02441	0.2
161.04501	4.1
163.03958	0.1
163.36501	0.1
171.13858	0.5
173.04552	0.3
179.03503	0.2
179.05515	0.1
191.05569	1.5
191.07143	0.2
203.05667	0.3
229.01407	0.1
266.24692	0.1
271.02490	0.2
299.02054	0.3
300.02261	0.1
315.18152	1.8
316.18616	0.1
323.80331	0.1
333.19263	11.6
334.19598	0.9
337.09482	0.1
375.20313	15.0
376.20630	1.6
379.79559	0.1
419.22879	0.2
452.42316	0.1
501.13556	0.1
599.42010	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.9
63.96136	2.2
64.96935	0.4
69.95029	2.3
70.50207	0.4
71.01273	9.7
73.02847	1.4
73.97563	0.4
78.98483	9.3
79.95627	14.9
80.33219	0.4
80.96411	94.2
81.03413	0.5
81.96388	0.5
83.01308	0.4
85.02843	3.4
87.00778	3.3
92.73554	0.4
94.97988	19.7
95.01250	0.6
96.95915	1.8
97.02855	1.7
98.19852	0.4
99.00776	0.6
101.02325	2.9
106.97997	3.8
122.76112	0.4
122.97501	4.0
125.02387	2.7
127.03960	0.8
134.97520	5.7
136.99071	1.7
146.97498	0.5
148.99081	7.4
152.98575	7.4
164.98586	13.1
188.98615	0.6
199.74246	0.4
206.99741	3.5
215.76167	0.4
225.00761	16.5
226.01180	0.6
277.22046	2.0
277.24521	0.4
278.22101	0.4
559.26025	3.0
583.33679	0.5
639.09003	0.4
659.69305	0.5
743.05469	0.5
837.48486	100.0
838.48828	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.7
60.99192	0.6
63.02200	0.3
67.01774	1.7
69.03339	0.6
70.48530	1.1
71.01263	1.7
79.67027	0.3
81.03351	0.9
82.59232	0.3
83.04919	1.3
85.02849	10.7
87.00765	3.9
93.03361	18.8
94.03693	0.7
95.74174	0.3
96.95915	0.7
98.19785	0.4
99.00789	0.5
99.04432	0.5
101.02375	0.4
109.02850	1.3
111.00779	0.4
111.04433	3.8
119.04948	8.3
121.02878	6.5
123.04469	0.4
127.03935	3.3
128.79343	0.4
131.04941	0.9
133.02858	0.6
135.04442	0.4
137.02388	2.3
143.04967	3.3
145.02884	1.9
154.15813	0.3
155.03439	2.3
163.03954	6.0
171.02971	0.7
173.04527	11.2
173.06023	0.8
174.04843	0.5
181.05025	1.3
191.05591	100.0
192.05937	3.6
210.06801	0.6
211.07664	3.0
223.07695	1.8
235.07710	0.8
237.09308	2.1
239.10828	0.7
253.08791	0.4
258.06390	0.3
259.90842	0.4
265.08728	3.3
275.74240	0.4
283.09879	1.1
309.07791	1.4
319.08301	1.0
327.08841	13.9
328.09183	1.1
337.09357	3.4
355.10641	0.7
356.31400	0.4
387.16528	0.8
439.98914	0.3
448.54196	0.4
483.13110	1.0
501.14151	32.1
502.14581	4.0
509.36078	0.4
647.18677	1.0
657.18256	2.2
665.19183	0.9
675.18707	0.5
737.35468	0.4
821.23132	0.6
839.24323	6.7
840.24231	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	837.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.9
63.96118	1.6
69.03342	0.7
70.15531	0.6
70.15924	0.5
71.01272	10.1
73.02834	2.2
78.98482	9.0
79.95627	15.9
80.96413	100.0
81.03352	1.3
83.01292	0.7
85.02841	4.7
87.00781	3.9
94.97987	23.8
95.01277	0.8
96.95918	2.0
97.02853	2.9
99.00771	0.9
99.04427	0.4
101.02348	4.4
106.98000	4.9
113.02359	0.7
122.97510	5.1
125.02376	5.7
126.02584	0.3
127.03928	1.5
134.97511	8.5
136.99046	2.2
146.97592	0.4
148.99091	10.7
149.00291	0.5
152.98586	10.0
164.98590	20.5
167.00136	1.0
176.98622	0.4
179.00150	0.8
182.99606	0.5
188.98647	0.7
206.99675	4.8
224.19170	0.3
225.00752	30.3
226.01003	0.7
243.01740	0.4
258.29306	0.3
277.21805	4.0
283.04892	0.6
367.06375	0.3
465.37271	0.3
559.18378	0.4
559.26086	4.8
560.26624	0.6
660.41272	0.3
837.48492	91.1
838.48798	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	837.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.0
63.96125	2.3
69.03334	0.9
70.90501	2.0
71.01275	9.8
73.02827	1.7
78.98477	8.0
79.94698	0.7
79.95625	13.6
80.96413	90.5
81.03340	1.0
85.02836	4.2
87.00768	3.1
94.97985	19.7
97.02847	2.2
101.02344	2.6
106.97990	3.1
107.88766	0.8
122.97506	3.5
125.02364	3.3
134.97514	4.7
136.99077	1.5
143.03429	0.9
146.97487	1.0
148.99075	6.6
152.98553	7.5
164.98595	16.1
167.00232	0.9
206.99651	3.4
225.00749	24.2
226.01181	0.9
241.99890	0.9
277.21808	2.9
283.05023	1.2
359.78448	1.0
377.71603	0.9
423.53024	0.9
559.25928	3.2
837.48492	100.0
838.48700	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	837.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01601	1.2
69.03352	1.1
71.01269	20.5
71.54752	0.8
72.99210	0.7
73.02839	9.0
75.00783	0.6
77.03595	0.4
83.01266	3.3
85.02831	7.1
85.03287	0.6
86.03245	0.5
87.00785	1.4
87.04424	1.9
89.02337	7.9
92.94569	0.4
95.01313	2.2
97.06521	0.8
99.00794	2.3
101.02345	14.1
105.47112	0.5
113.02355	11.4
115.07554	0.7
119.03456	2.6
119.04959	2.1
125.02388	0.9
129.34972	0.5
130.36676	0.5
131.03413	0.5
141.80179	0.4
143.03439	0.9
149.04517	0.9
159.02985	0.5
161.04514	5.5
163.03952	1.8
179.05612	1.1
185.11774	0.7
187.13339	6.8
191.05513	2.8
192.05498	0.4
207.10223	0.6
221.06671	0.7
223.56860	0.6
243.05190	0.7
267.07318	2.0
269.10388	0.5
272.63455	0.7
329.16132	0.7
331.17706	26.7
332.18219	2.1
345.15619	0.8
347.17371	1.0
349.18726	11.8
350.19327	0.8
385.11691	1.9
387.16629	7.2
388.17514	0.7
390.19000	0.6
391.19815	47.4
392.20166	4.9
401.14529	2.5
405.17969	1.8
407.19446	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	835.5392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98409	0.1
67.01775	0.1
69.03345	3.2
69.23537	0.1
70.62778	0.3
71.04902	0.3
71.44724	0.1
83.04920	3.3
83.82582	0.1
97.06492	0.8
99.04421	17.5
100.04771	0.4
107.04956	0.1
109.06490	0.1
111.04446	0.2
118.88477	0.1
121.06496	0.1
123.08081	1.2
125.09647	0.4
137.09656	0.2
147.11746	0.4
149.09659	0.6
149.13324	0.7
163.11209	0.3
165.12781	0.5
167.10738	0.7
167.14371	0.5
189.12868	0.1
193.12325	0.2
205.15965	0.1
219.17619	0.3
221.40753	0.1
233.15494	0.1
251.16478	0.4
252.17027	0.1
252.63234	0.1
257.19070	0.3
260.49252	0.1
271.20624	0.1
273.22330	1.3
274.22659	0.2
275.20276	0.1
291.23196	0.2
298.34137	0.1
299.20340	0.2
317.21286	7.1
318.21539	0.7
335.22333	2.8
336.22656	0.3
373.27502	0.3
417.26553	100.0
418.26901	12.5
507.05090	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	835.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00487	1.3
59.01265	100.0
60.01594	1.2
61.73321	0.2
69.03342	1.0
69.28334	2.4
71.01271	28.8
72.01634	0.4
72.02037	0.2
72.99211	1.7
73.02837	38.6
74.03162	0.3
75.00771	0.7
81.03342	0.5
83.01276	11.6
85.02843	4.5
87.00782	1.2
89.02338	10.3
89.02907	0.3
95.01286	1.6
97.02890	0.6
99.00776	1.0
101.02348	37.9
102.02730	0.6
113.02360	12.9
114.02701	0.3
119.03420	6.2
125.02382	1.1
131.03436	3.7
135.07532	0.2
143.03442	4.6
147.02917	0.3
149.04500	9.6
155.03433	1.0
161.04501	16.1
162.04813	0.6
179.05518	1.3
191.05565	0.6
203.05594	2.6
217.11116	0.2
221.06647	5.1
222.07158	0.3
235.06320	0.2
271.02600	0.2
299.01941	0.3
312.15167	0.2
313.13361	0.3
313.16632	2.9
331.17694	5.7
332.17719	0.2
373.18756	14.1
374.19113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	0.2
59.01267	100.0
60.01603	1.0
63.45118	0.1
69.03346	0.2
69.80064	0.8
70.34005	0.1
71.01273	8.9
72.99210	0.3
73.02837	3.1
75.00770	0.2
76.34816	0.1
81.44251	0.1
82.46545	0.1
83.01283	1.6
83.04889	0.1
84.02056	0.2
85.02850	4.7
85.03363	0.3
85.55276	0.1
86.03147	0.1
87.00783	0.6
89.02336	0.9
93.03346	1.0
93.78747	0.1
95.01302	0.6
97.02862	0.4
99.00781	1.5
101.02353	7.5
111.04460	0.2
113.02364	3.8
114.02831	0.1
117.03386	0.5
119.03410	0.1
119.04941	0.5
123.00763	0.2
125.02378	0.4
133.02884	0.3
134.03670	4.0
135.00787	0.4
135.04449	0.2
135.63870	0.1
137.02383	0.4
143.03459	0.5
147.04494	0.1
149.05986	0.4
155.03406	0.3
159.02940	1.1
160.01642	0.4
161.04507	6.7
162.04858	0.3
163.03926	0.5
167.03452	0.6
173.04530	0.5
175.03996	0.6
191.05580	2.5
191.07156	0.2
193.00186	0.1
193.05051	6.1
194.05299	0.2
205.03412	0.2
211.07591	0.2
252.07759	0.2
279.06454	0.2
279.08890	2.0
313.16711	0.5
327.08887	0.3
331.17694	11.7
332.18033	1.2
339.11011	0.7
356.52890	0.1
357.09946	0.8
358.10480	0.1
369.09607	0.1
373.18756	28.3
374.19119	2.4
375.16486	0.2
383.20935	0.3
391.19681	0.3
411.94580	0.2
417.12656	0.2
417.17819	2.3
418.17966	0.2
451.32855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.363
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00490	0.2
59.01266	100.0
60.01599	0.9
69.03352	0.2
69.62000	0.4
69.62420	0.3
71.01271	7.2
72.99199	0.3
73.02837	2.2
75.00793	0.1
83.01286	0.9
85.02843	2.7
86.79601	0.1
87.00798	0.4
88.42067	0.1
89.02341	3.0
93.03381	0.3
95.01296	0.7
95.40008	0.1
97.02821	0.1
99.00775	0.6
101.02348	4.6
101.53120	0.1
113.02361	3.8
119.03419	1.2
125.02425	0.1
131.03468	0.3
133.02943	0.1
135.04469	0.4
143.03423	0.6
149.04457	0.5
151.03882	0.1
152.01178	0.1
155.03470	0.1
159.02994	0.2
161.02432	0.2
161.04495	2.3
173.04588	0.3
179.03535	0.4
179.05597	0.8
191.05550	1.2
197.13266	0.1
198.36977	0.1
203.05750	0.1
221.06688	0.3
226.39806	0.1
226.59225	0.1
229.01457	0.1
279.06635	0.1
313.16614	0.8
315.07092	0.1
331.17691	2.3
332.17941	0.2
353.08850	0.5
373.18759	8.2
374.18933	0.5
461.53464	0.1
515.12195	0.2
656.16931	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	835.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	0.2
59.01264	100.0
60.01602	1.0
66.94553	0.1
69.03354	0.2
69.61151	0.4
69.61559	0.2
71.01271	11.7
72.01605	0.1
72.99200	0.3
73.02835	5.0
75.00762	0.2
83.01276	1.8
84.02071	0.1
85.02845	4.9
87.00313	0.1
87.00763	0.5
89.02346	1.4
95.01285	1.0
97.02843	0.3
99.00780	1.4
100.35180	0.1
101.02348	8.1
102.02706	0.2
111.00780	0.1
113.02361	5.1
114.02708	0.1
119.03434	0.5
125.02334	0.3
129.01900	0.1
131.03391	0.2
132.88052	0.1
143.03436	0.6
149.04439	0.3
159.02977	1.0
161.04503	4.7
162.04825	0.1
179.05406	0.1
191.05502	0.2
203.05582	0.2
205.03481	0.1
221.06511	0.3
313.16571	0.7
331.17682	7.5
332.18039	0.7
373.18756	6.9
374.19116	0.7
417.17447	0.2
496.72809	0.1
532.78839	0.1
676.91107	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	835.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01609	0.9
62.42473	0.2
67.11649	0.2
71.01272	15.2
71.58310	0.3
72.99205	0.5
73.02834	6.3
75.00776	0.4
76.07246	0.2
81.03356	0.6
83.01266	2.4
84.32877	0.2
85.02846	6.1
87.00785	0.9
89.02338	3.7
93.03356	0.4
95.01278	1.7
96.95964	0.3
97.02882	0.5
97.06503	1.6
97.07035	0.3
99.00795	1.7
101.02351	11.8
104.74099	0.3
113.02356	6.3
119.03454	1.1
125.02409	0.4
129.01913	0.3
135.04512	0.5
143.03436	0.7
159.02975	1.0
161.04486	6.1
173.04622	0.4
179.05562	0.4
185.30655	0.3
189.99536	0.3
191.05586	1.3
191.07153	0.3
203.05592	0.5
219.54408	0.3
233.10342	0.4
264.90347	0.3
299.02182	0.5
313.16656	7.8
314.16989	0.3
331.17694	16.6
332.17871	1.4
373.18765	23.5
374.19101	2.2
415.22467	0.3
780.46667	0.3
829.73499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01595	1.1
71.01270	12.1
72.99197	0.5
73.02835	4.2
73.03198	0.4
75.00732	0.3
78.95786	2.6
81.03350	0.2
83.01270	1.5
84.28262	0.2
85.02843	5.1
87.00774	0.6
89.02343	3.5
95.01291	1.0
96.96857	1.9
97.02862	0.3
99.00764	1.4
101.02345	10.1
113.02354	5.4
119.03412	1.5
125.02338	0.4
129.01888	0.3
131.03416	0.3
139.11220	0.8
143.03444	0.8
149.04446	0.3
155.88786	0.2
159.02945	1.3
161.02466	0.3
161.04512	6.8
169.12286	0.6
173.04605	0.4
191.05550	1.4
227.03532	0.3
233.09512	2.8
255.02898	0.5
284.03403	0.5
285.04105	0.2
313.16656	2.7
314.17068	0.3
331.17679	13.6
332.17957	0.8
373.18726	30.3
374.19153	2.6
417.08511	0.6
490.82123	0.3
583.65405	0.3
635.33557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	0.4
59.01263	100.0
60.01597	0.7
65.83935	0.1
67.01763	0.1
69.03350	0.4
71.01268	15.8
71.35264	0.3
72.01628	0.2
72.99197	0.7
73.02834	14.5
75.00774	0.3
78.95807	0.3
81.03388	0.2
83.01276	4.2
85.02843	4.6
85.03360	0.2
87.00793	0.6
89.02339	3.0
95.01280	0.8
96.63769	0.1
96.96825	0.3
97.02876	0.5
99.00768	1.1
100.30905	0.1
101.02344	17.2
102.02708	0.3
111.00753	0.1
113.02354	7.4
114.02798	0.2
119.03419	1.8
125.02388	0.7
129.01906	0.2
131.03419	1.0
143.03436	1.5
149.04480	2.9
149.89874	0.1
155.03453	0.5
159.02895	0.7
161.04501	8.7
162.04927	0.2
169.12363	0.2
179.05627	0.2
191.05690	0.4
203.05658	0.6
205.03554	0.1
208.89961	0.1
209.24257	0.2
221.06662	1.9
221.08455	0.2
233.09639	0.3
249.02705	0.1
296.33243	0.1
313.16757	0.3
329.60849	0.1
331.17682	8.7
332.18225	0.6
341.95816	0.2
373.18753	10.1
374.19019	0.8
417.17776	0.2
450.43991	0.2
515.25317	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	835.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	0.1
59.01264	100.0
60.01606	1.0
69.03352	0.2
69.30563	0.9
69.30995	0.6
71.01269	10.3
72.01624	0.2
72.99181	0.2
73.02836	3.9
73.77348	0.1
75.00777	0.2
78.95814	0.2
81.03357	0.2
83.01276	1.4
85.02847	5.3
87.00761	0.3
89.02357	1.3
95.01284	0.7
97.02869	0.3
99.00765	1.5
101.02346	7.3
102.02730	0.2
109.34583	0.1
113.02359	4.5
119.03436	0.3
129.01808	0.2
143.03458	0.5
159.02917	1.1
161.04500	5.1
169.12257	0.3
173.04535	0.2
191.05612	0.6
203.05649	0.1
264.43835	0.2
313.16898	0.4
329.16617	0.2
331.17688	8.8
332.18112	0.6
373.18753	11.4
374.19077	1.1
417.17804	0.3
434.92114	0.2
437.01453	0.2
484.00824	0.2
517.20978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.1
63.02275	0.8
64.99892	0.2
65.00192	0.8
65.00481	0.1
69.83682	0.6
71.01231	0.1
79.01769	0.1
83.01274	0.4
89.00227	0.3
91.01786	0.2
93.03359	0.2
95.01278	0.1
98.20562	0.1
101.03849	0.1
107.01290	1.3
108.02105	0.1
109.02850	1.1
112.12263	0.1
115.05434	0.2
119.01307	0.2
121.02904	0.1
125.02369	0.1
131.04945	0.3
132.02104	0.1
133.02879	2.3
135.00830	0.4
135.04463	0.6
139.03893	0.1
143.04973	0.9
145.02899	0.4
147.00832	0.4
147.04460	0.4
149.02364	0.1
151.00308	1.8
153.03352	0.1
155.04945	0.5
157.02888	0.7
158.03397	0.1
159.04469	0.2
161.02386	1.4
162.02722	0.1
163.03918	0.2
169.01396	0.2
169.02887	0.2
170.03680	0.1
171.04471	2.1
172.04718	0.2
173.02457	0.5
175.03983	1.5
178.99820	0.3
179.03458	0.4
182.03650	0.2
183.04472	0.4
185.02419	0.2
187.03981	1.0
189.01862	0.1
189.05542	0.3
191.05716	0.2
197.02414	0.5
198.03279	0.5
199.03998	5.9
200.04347	0.4
201.01924	2.4
202.02299	0.1
203.03529	0.5
211.03891	0.1
213.01955	0.3
214.02728	0.4
215.03496	2.5
216.03830	0.2
225.01913	0.3
226.02744	1.2
227.03510	3.1
228.03871	0.2
229.01466	0.1
241.01485	0.2
242.02171	0.7
243.03003	3.7
244.03418	0.3
255.03050	0.9
271.02539	41.3
272.02866	3.2
282.01770	0.6
299.02036	100.0
300.02390	8.1
301.03625	0.8
491.11957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5231
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94927	0.2
69.03345	3.4
71.04885	0.3
71.48945	0.4
78.95808	0.3
83.04922	2.6
84.77782	0.2
90.53040	0.2
93.87898	0.2
97.06490	0.7
99.04422	13.8
100.04748	0.4
107.04951	0.2
113.02365	0.4
116.65662	0.2
119.71922	0.2
123.08099	1.0
147.11734	0.4
149.09637	0.3
149.13324	0.4
165.12756	0.4
167.10774	0.3
167.14301	0.3
185.17592	0.2
188.04716	0.3
189.93771	0.2
193.12186	0.2
246.81880	0.2
251.16577	0.2
257.18924	0.2
273.22314	1.2
275.23929	0.2
279.23120	0.2
311.42133	0.2
317.21332	5.7
318.21622	0.7
319.22870	1.8
320.23221	0.6
335.22333	2.3
415.24966	3.1
416.25412	1.9
417.26556	100.0
418.26889	12.8
468.03879	0.2
761.27521	0.2
815.50177	0.4
833.51270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.8
69.03326	0.3
71.01270	1.5
71.04897	0.3
72.99188	0.1
73.02836	0.4
74.49130	0.1
78.95798	0.2
79.37376	0.1
81.03341	0.1
83.04916	2.9
85.02827	0.5
87.00765	0.3
89.02332	1.4
91.27685	0.1
93.03345	0.3
95.01302	0.1
97.02798	0.1
97.06473	0.1
98.20552	0.3
99.04432	1.3
101.02361	1.8
109.06509	0.1
111.04436	0.2
113.02346	0.8
115.03915	0.1
119.03423	0.4
119.04930	0.2
133.02872	0.1
133.04968	0.1
143.03442	0.2
161.04485	0.6
163.03999	0.1
173.04462	0.3
175.11314	0.1
179.05556	0.2
189.12801	0.9
191.05591	2.0
191.14426	1.3
205.15875	0.2
211.13481	0.1
220.23100	0.1
233.22670	0.1
235.08240	1.7
235.17073	0.2
243.17500	0.6
253.09337	10.5
254.09711	0.5
255.02805	0.1
257.22839	0.8
258.23001	0.1
259.20728	5.5
260.21045	0.6
273.22211	0.6
275.23880	0.7
277.21786	63.3
278.22134	5.7
283.02466	0.2
301.21851	1.6
302.22150	0.1
303.19733	2.4
304.20139	0.3
319.22852	100.0
320.23181	9.7
335.22528	0.2
373.27579	0.3
375.00992	0.1
392.67145	0.1
415.24872	0.1
416.25510	0.3
417.26544	1.3
418.27042	0.2
513.30719	1.2
833.52594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5212
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
59.01274	2.4
61.03436	0.3
61.98724	0.5
62.96302	0.6
71.60391	0.4
71.60743	0.4
74.73207	0.3
78.95796	78.7
80.96391	0.4
88.65209	0.3
94.92392	1.9
96.96864	17.2
116.97158	1.3
118.96884	0.9
134.98471	1.1
141.01668	0.8
152.99527	21.8
191.05528	0.5
210.41782	0.3
223.00137	8.9
224.00420	0.4
241.01213	33.3
242.01578	1.1
255.23335	58.8
256.23694	5.6
258.90460	0.5
258.93118	0.6
259.02277	2.5
261.22226	0.6
277.21707	2.2
278.22165	0.7
279.23355	51.7
280.23691	3.8
297.03885	1.8
315.05008	1.0
340.93573	0.8
391.22626	6.4
415.22620	1.1
528.64880	0.4
553.27936	4.9
554.28406	0.5
565.97113	0.4
571.28900	0.9
577.27771	1.0
592.61865	0.4
629.39728	0.4
833.52045	100.0
834.52405	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	16.1
61.98723	0.5
69.02035	0.4
71.01283	4.2
71.60282	0.4
71.60680	0.5
75.00793	0.4
76.73728	0.5
85.02850	1.7
87.00742	0.4
89.02346	2.8
96.95910	1.6
97.02836	0.6
100.08777	0.4
101.02360	2.3
113.02364	1.0
114.85216	0.4
117.03399	0.5
118.01487	0.4
121.05023	2.0
122.03664	0.5
124.69156	0.4
130.21375	0.4
132.02104	2.5
133.02899	4.5
134.03682	40.1
135.04092	0.8
136.76865	0.4
137.02374	0.4
148.05237	1.1
149.06036	17.4
150.06328	1.0
160.01622	27.4
161.02057	1.4
175.03978	36.9
176.04317	2.3
177.01939	1.5
178.02661	0.8
179.03488	2.1
189.12804	6.8
191.05629	1.0
191.07158	1.2
193.05051	38.9
194.05341	2.2
195.06703	0.7
205.08717	4.5
206.08844	0.4
207.10242	0.6
209.11804	0.8
221.04541	1.1
234.46715	0.4
243.13962	0.6
258.99948	0.6
269.19226	0.8
282.07565	3.9
297.09875	100.0
298.10229	7.1
313.18188	47.9
313.21939	0.7
314.18558	4.7
331.19281	0.6
357.11682	0.5
357.97858	0.5
393.63687	0.6
470.11020	0.5
611.29065	0.6
671.29907	0.5
813.86884	1.3
828.60852	0.5
833.34918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.4
61.98724	1.5
78.95795	83.7
89.55492	1.1
96.96867	17.2
102.81544	1.4
134.98402	1.6
149.83865	1.2
152.99544	22.0
174.99207	2.8
176.10336	1.1
190.87415	1.2
194.51685	1.4
217.00212	7.7
223.00145	8.4
241.01231	36.1
242.01544	1.3
255.23332	65.9
256.23657	4.5
259.02176	1.9
279.23343	56.2
280.23669	5.2
297.03845	2.2
374.99103	3.0
391.22586	8.0
392.22647	1.4
553.27765	3.4
833.52075	100.0
834.52344	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	833.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50211	0.1
59.01266	0.3
61.98715	0.4
65.00195	0.5
67.01786	0.1
68.99718	0.1
69.03353	0.2
71.01274	0.4
78.95778	0.1
79.98331	0.1
80.02560	0.1
81.03350	3.5
83.01267	0.6
85.06486	0.5
87.00755	0.1
87.04404	0.5
93.03360	0.3
95.01315	0.1
95.04924	0.4
96.95921	0.1
97.02852	0.5
97.06480	0.1
107.01289	0.3
107.04911	0.1
108.02093	0.2
109.02894	0.3
109.06503	1.8
109.07265	0.1
110.06837	0.1
111.04424	3.0
112.04758	0.1
113.02377	0.1
113.06018	0.2
119.04871	0.1
121.02860	0.3
121.06512	0.1
122.03654	1.7
123.00800	0.1
123.04465	0.4
123.08081	0.2
124.01589	0.1
125.02370	5.4
126.02700	0.1
127.07588	0.3
131.01300	0.1
133.06503	0.2
133.10176	0.1
135.00792	0.1
135.04512	0.1
135.08095	0.1
137.02399	0.1
139.03935	0.4
147.08119	0.1
149.02379	1.0
149.05969	0.1
151.00323	0.8
151.07588	31.5
152.01083	0.5
152.07928	1.4
153.05482	0.3
159.08055	0.1
161.05995	0.1
161.09761	0.3
163.03961	0.1
163.07599	0.2
165.05545	0.5
165.09120	0.1
166.02650	0.1
167.03476	0.3
167.07109	0.1
173.09633	0.2
175.00317	0.4
177.05539	0.5
179.03461	0.2
179.07118	0.5
181.08607	0.1
187.11230	0.2
189.05635	0.1
189.12830	4.7
190.13139	0.3
191.05666	0.1
191.07109	2.0
192.07451	0.1
193.05122	0.1
193.08673	0.1
194.05870	0.3
195.06606	100.0
196.06943	4.8
201.05489	0.3
205.08693	3.7
205.10696	0.1
206.09155	0.2
207.06595	0.5
207.10139	0.1
208.07414	0.2
209.08176	2.0
210.08481	0.1
219.06627	19.9
220.06972	1.1
221.08232	0.4
231.06778	0.1
233.08211	0.1
234.05493	0.1
237.07707	6.8
238.08154	0.4
243.13963	0.2
249.07704	2.1
250.07953	0.1
255.23283	0.1
261.07745	0.4
267.08771	0.1
269.19141	0.6
270.19446	0.1
279.08694	0.2
295.17084	0.1
297.09946	0.6
298.10190	0.1
313.18164	19.8
314.18494	1.9
331.19229	0.5
339.10944	1.4
340.11212	0.1
357.11984	48.4
358.12317	4.2
671.30939	1.5
672.31323	0.4
818.53540	0.1
833.52515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.7
61.98720	3.0
65.00221	0.4
69.03356	0.2
71.01270	0.6
78.95374	0.1
78.95779	0.8
80.02592	0.2
81.03357	3.6
83.01270	0.8
85.02869	0.2
85.06486	0.5
87.04413	0.4
87.36399	0.1
90.28287	0.1
93.03383	0.4
95.01270	0.2
95.04932	0.1
96.95915	0.3
97.02876	0.4
97.06510	0.1
107.01294	0.4
107.04977	0.2
109.02852	0.2
109.06498	2.1
111.03725	0.2
111.04442	2.8
112.04736	0.2
113.02361	0.2
113.05981	0.2
121.02894	0.3
122.03661	1.4
123.04430	0.3
123.08089	0.4
125.02372	6.2
126.02763	0.2
127.07582	0.3
131.01306	0.1
135.04477	0.3
137.02382	0.2
139.03952	0.4
146.06886	0.1
147.08179	0.1
148.01627	0.2
149.02394	1.1
149.05937	0.2
151.00356	1.2
151.07596	32.3
152.01077	0.3
152.07944	1.4
153.05489	0.3
161.09737	0.2
165.05608	0.3
167.03493	0.3
173.04474	0.2
175.00325	0.3
177.05608	0.7
179.03401	0.2
179.07108	0.5
187.11409	0.2
189.12834	3.8
191.05553	0.6
191.07150	1.4
193.08705	0.2
194.05771	0.3
195.06618	100.0
196.06976	5.2
201.05521	0.4
205.08699	2.5
206.09041	0.2
207.06628	0.4
209.08197	1.5
209.11761	0.3
219.06644	12.6
220.07047	0.8
221.08200	0.3
237.07712	5.4
238.08032	0.2
241.01308	0.3
249.07695	1.1
255.23303	0.4
261.07782	0.3
269.19199	0.6
279.08588	0.2
279.23245	0.4
297.09888	0.3
313.18185	15.2
314.18524	1.8
323.69131	0.2
331.19138	0.3
339.10934	1.0
352.43512	0.1
357.12009	36.3
358.12277	3.1
358.16318	0.3
546.50751	0.2
671.30939	11.6
672.31177	3.1
833.52338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	5.7
65.00198	0.8
71.01271	3.3
73.02840	3.6
78.87269	0.2
78.95770	0.3
83.01278	1.7
85.02847	0.3
93.03350	0.6
96.79018	0.2
96.95893	0.5
101.02359	2.2
107.01286	1.7
108.02089	1.1
109.02850	1.1
112.23663	0.3
113.02364	1.0
121.02872	9.1
125.02377	0.8
133.02881	0.4
134.03615	0.3
135.00772	0.6
135.04445	3.2
143.03400	0.6
148.01619	0.5
149.02359	0.4
149.98074	0.2
151.00313	7.0
151.03967	0.3
152.00763	0.2
155.03423	0.3
159.04430	0.3
161.02385	0.9
161.04514	0.5
163.00352	1.8
163.03920	2.0
164.01093	0.6
165.99846	0.2
169.01378	0.5
173.04535	0.3
178.99834	3.3
179.03377	0.6
183.04434	0.3
184.32585	0.2
187.03864	0.3
190.99934	0.4
191.05605	1.3
192.00607	0.4
199.03899	0.3
201.05598	0.3
203.05582	0.5
211.04063	0.4
215.03514	0.5
216.04272	0.3
226.02708	0.7
227.03525	1.6
229.05031	0.3
243.03020	5.9
244.03421	0.5
245.04555	0.8
254.02290	1.6
255.03021	16.5
256.03345	1.3
271.02533	36.2
272.03006	3.1
273.03946	0.8
283.02539	1.1
293.60397	0.3
299.02026	1.0
300.02814	70.9
301.03537	28.7
302.03946	1.8
323.07855	0.3
325.09723	0.3
353.08835	0.3
373.19095	0.3
445.11844	0.4
463.08923	100.0
464.09232	12.0
563.63354	0.3
564.85095	0.3
833.51392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.7
61.98723	1.5
66.92398	0.2
71.01244	0.3
71.57656	0.2
72.85606	0.2
75.00764	0.2
78.95777	0.2
81.03333	0.3
93.03373	0.4
96.95906	0.3
97.02863	0.3
99.04430	0.5
117.03323	1.0
119.04942	12.0
121.02879	0.4
122.03655	0.5
133.02878	0.3
143.52579	0.2
163.03957	14.1
164.04335	0.7
169.06543	0.7
173.09622	0.3
185.06093	0.9
189.12820	5.2
190.13193	0.3
191.05623	0.4
191.07126	1.4
195.04477	0.8
195.06282	0.2
197.06111	0.4
205.05136	0.5
205.08684	4.3
206.09116	0.3
207.10355	0.2
209.11899	0.4
213.05548	8.9
214.05887	0.6
223.04112	0.3
241.05083	59.5
242.05429	4.2
243.13956	0.3
255.06677	0.6
256.07443	38.6
257.07733	2.6
269.19080	1.0
270.08963	0.3
271.09805	100.0
272.10153	8.1
313.18161	31.6
314.18512	3.2
331.19180	2.1
332.19617	0.3
355.11942	22.3
356.12265	2.5
397.13223	0.3
517.17297	0.9
584.48401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.1
61.98706	0.5
63.02280	0.9
65.00210	3.0
69.92134	1.9
70.77612	0.4
71.01252	1.1
72.99214	0.5
73.02824	0.7
78.95786	0.6
83.01273	2.5
85.02853	0.9
93.03355	2.1
95.01261	0.6
96.95918	1.7
98.20501	0.5
101.02351	0.5
101.03857	0.7
105.03298	0.4
107.01286	4.7
109.02885	0.7
111.04430	0.6
113.02353	0.8
119.04881	0.5
124.01587	1.6
125.02362	2.8
131.05013	0.4
133.02893	1.2
135.00801	0.7
135.04469	0.7
137.02393	0.6
143.04999	0.8
145.02887	2.0
147.00777	0.5
151.00305	13.2
151.01511	0.6
152.01117	3.1
155.04898	0.9
158.03688	0.6
159.04498	0.6
161.02371	2.2
163.00221	0.6
163.04036	0.5
164.01128	0.8
169.01358	1.6
169.02808	0.6
171.04462	1.1
173.02480	0.5
173.04553	2.1
173.05893	0.6
174.03091	0.6
175.03954	0.7
177.01880	0.6
178.99820	6.8
179.03477	0.8
183.04474	2.6
185.02350	0.6
186.03134	1.1
187.03947	1.4
189.01982	1.0
190.99910	0.4
191.05588	4.0
192.00603	0.7
195.06642	0.6
198.03136	0.7
199.03993	7.1
201.02032	0.9
203.03462	1.2
211.04033	0.9
213.02011	0.6
214.02692	2.7
215.03529	2.7
216.04196	1.3
217.05064	1.5
218.02298	0.8
227.03477	6.2
228.04149	0.5
229.01361	1.0
230.02402	0.5
231.03056	1.2
232.03661	0.5
241.01447	9.4
242.02252	5.8
243.03001	13.8
244.03542	1.7
245.00946	8.0
245.04578	2.7
246.01341	0.6
255.03023	9.2
256.03372	1.0
270.01752	16.2
270.04675	0.8
271.02515	26.6
272.03214	5.3
273.00555	0.4
273.04065	1.2
282.01770	0.6
283.02362	0.6
298.01236	9.4
299.02026	100.0
300.02444	9.2
301.03528	0.8
305.08157	0.5
313.03622	1.9
316.02325	1.5
317.02969	0.7
341.03149	1.2
359.05493	0.8
421.24139	0.8
431.22479	1.2
449.23438	5.6
450.23782	0.7
457.20099	0.9
459.21979	3.4
460.21869	0.6
485.19775	5.8
486.20270	0.5
503.20886	35.7
504.21246	5.5
607.13159	28.8
608.13495	3.8
757.34564	2.9
811.31995	31.0
812.32202	7.4
829.32782	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	829.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00499	0.3
59.01265	22.2
59.98390	0.4
60.01600	0.5
63.34270	0.3
65.60825	0.2
67.01764	0.3
69.03341	2.2
71.01269	9.7
71.27068	0.3
71.27410	0.6
72.99184	1.2
73.02834	8.0
74.03139	0.3
74.66499	0.3
75.00757	1.2
81.03343	2.5
82.29819	0.2
83.01284	3.0
83.04865	0.3
85.02844	6.7
86.03152	0.4
87.00760	0.7
89.02343	1.7
93.03326	1.1
95.01284	0.9
96.95892	1.5
97.02839	4.0
97.06492	4.7
98.03185	0.5
99.00771	1.0
99.04408	0.8
101.01701	0.4
101.02344	7.6
101.33747	0.3
102.02657	0.3
109.02836	0.4
109.06499	3.0
111.00773	0.4
111.04418	0.5
113.01638	0.4
113.02367	6.0
114.02728	0.4
115.03936	0.8
117.03366	0.3
117.06030	0.2
119.03391	0.7
121.02836	0.3
121.06502	0.3
123.08083	0.8
125.02348	0.9
127.03947	1.3
127.07571	14.6
127.64948	0.3
128.07954	0.4
131.03395	1.0
133.02858	1.7
135.04453	2.6
135.08095	1.6
143.03403	0.9
144.02495	0.3
147.08109	0.5
147.11765	0.7
149.04466	0.6
149.09622	0.4
150.29155	0.3
152.93636	0.3
153.20869	0.3
155.03389	0.4
160.01578	0.4
161.02399	7.1
161.04405	1.3
163.11215	1.5
165.12790	5.7
166.13094	0.5
173.04512	0.3
179.03456	1.7
181.12393	0.5
183.13872	7.7
184.14207	0.4
187.11302	0.6
189.12817	5.9
190.13124	0.3
191.05579	12.1
192.05943	0.5
203.05608	1.6
221.06636	0.4
231.17400	0.5
255.17526	0.3
271.17657	0.6
271.20715	10.2
271.23672	0.5
272.21030	1.1
289.21799	36.9
290.22122	3.6
299.02203	0.5
313.03625	1.1
313.18408	0.6
313.21844	0.9
315.19751	2.8
316.19901	0.3
319.22876	0.8
320.23212	1.1
321.23685	0.3
333.20782	100.0
334.21109	11.3
339.19708	0.6
352.86389	0.3
353.08859	0.4
357.20767	5.7
358.21130	0.8
369.20847	0.4
375.21823	2.3
381.20789	0.4
399.21942	0.8
417.22229	0.4
417.27148	0.4
418.26895	0.5
441.22635	0.3
477.24661	0.5
495.25903	0.4
515.13855	0.3
537.27173	22.6
538.27527	4.0
579.28253	0.5
615.46173	0.4
621.32990	1.1
622.33398	2.9
623.33514	4.8
624.34216	0.3
637.26752	4.6
638.26935	0.6
748.33606	0.5
756.84967	0.4
757.34613	0.4
762.35193	0.6
762.85321	2.2
763.35138	1.2
781.07532	0.3
799.86475	0.3
828.37695	0.3
828.87390	4.8
829.35657	4.7
829.87451	1.2
830.33990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	0.3
59.01265	100.0
60.01605	1.0
69.03345	0.6
70.61699	0.3
70.62060	0.3
71.01269	15.0
72.01606	0.2
72.99203	0.5
73.02836	14.6
74.03169	0.1
75.00761	0.2
81.03341	0.3
83.01278	4.4
85.02844	3.1
87.00777	0.5
89.02335	4.6
93.03379	0.3
95.01301	0.7
96.95923	0.4
97.02853	0.5
99.00795	0.8
99.04478	0.2
101.02345	16.0
102.02693	0.2
111.00755	0.2
113.02359	6.5
119.03420	2.1
119.04885	0.2
121.02892	0.5
122.03638	0.2
125.02364	0.8
127.03986	0.1
127.95356	0.2
131.03432	1.4
133.02864	0.2
135.04422	0.6
143.03444	1.9
147.04466	0.7
148.05238	66.9
149.04483	2.9
149.05595	2.7
155.03438	0.5
159.02902	0.2
161.02390	0.4
161.04500	6.5
162.04849	0.2
163.07591	67.3
164.07928	2.9
165.05542	0.3
173.04558	0.2
174.08731	0.2
179.03488	0.4
179.05568	0.8
191.05603	1.0
201.87074	0.1
203.05594	5.8
204.06073	0.3
221.06712	1.9
271.02585	0.2
299.01978	0.4
300.65057	0.2
302.52689	0.2
313.16605	1.5
325.12769	0.2
331.17697	3.1
367.14059	1.1
373.18756	5.2
374.19113	0.3
644.87457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	1.6
65.00208	0.8
71.01265	0.8
80.34743	0.3
83.01274	0.6
85.02840	0.7
87.00766	0.3
93.03313	0.5
93.57304	0.3
95.01228	0.3
96.95896	0.3
99.00789	0.9
107.01321	1.3
108.02065	0.6
109.02880	0.8
113.02372	1.0
115.07563	5.4
120.79209	0.3
121.02862	1.2
125.02372	0.3
135.00822	0.5
148.01646	0.3
151.00322	6.3
153.01848	0.3
163.00333	1.7
163.04001	0.3
169.01378	0.6
178.99812	3.7
179.03389	0.4
187.03938	0.4
191.05554	0.9
192.00610	0.3
199.04010	0.6
211.04028	0.4
216.04243	0.3
226.02739	0.9
227.03476	1.6
229.05026	0.4
243.03017	5.4
244.03590	0.6
245.04527	0.4
249.06151	0.9
252.42346	0.3
254.02226	1.2
255.03023	14.0
256.03397	1.2
271.02539	30.5
272.02991	3.0
273.04099	0.9
275.20282	0.3
279.35141	0.3
282.00815	0.3
283.02527	0.7
297.92224	0.4
299.01965	0.7
300.02820	69.6
301.03537	33.4
302.03906	2.3
343.04453	0.3
347.03989	0.3
351.83905	0.3
365.14627	8.0
365.19348	0.8
366.14984	0.4
463.08923	100.0
464.09244	11.3
479.08414	0.3
540.64459	0.2
563.74841	0.3
567.75385	0.3
600.20508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.7
63.02294	0.3
64.99934	0.1
65.00241	0.2
67.01758	0.1
69.03333	0.1
71.01270	0.5
72.99177	0.1
73.02829	0.2
75.00757	0.1
83.01278	0.2
85.02839	0.9
87.00775	0.2
87.04412	0.1
87.22372	0.1
89.02329	0.2
89.03854	0.1
93.03357	1.0
95.01323	0.1
95.04932	0.2
96.95886	0.1
97.02849	0.2
99.00781	0.1
99.04370	0.1
101.02335	0.2
105.03390	0.8
106.00562	0.1
107.01271	0.5
107.04904	0.1
109.02887	0.3
110.53364	0.1
111.04422	0.3
113.02364	0.6
115.03935	0.1
122.47418	0.1
123.00871	0.1
123.04457	0.2
125.02323	0.1
127.03936	0.2
131.03394	0.2
133.02879	5.7
134.03778	0.5
135.00801	0.2
135.04443	4.4
136.04813	0.3
137.02373	0.4
142.21135	0.1
143.03433	0.2
144.02151	0.1
145.02881	0.3
149.99312	0.1
150.03279	0.2
151.00302	0.5
151.03912	0.1
155.03453	0.2
158.03683	0.6
161.02399	1.0
162.43817	0.1
163.00246	0.1
169.01482	0.1
170.03690	0.6
171.04407	0.1
172.01591	1.0
173.02307	0.2
173.04520	3.3
174.03212	0.3
174.04724	0.1
175.03925	0.1
177.01884	1.8
178.02496	0.2
178.99959	0.2
179.03465	3.7
180.03766	0.2
185.02428	0.2
186.03207	1.6
187.03915	0.2
189.01851	0.5
190.02567	0.1
191.05571	4.2
192.00705	0.1
192.05893	0.2
193.05017	0.2
197.02448	0.1
198.03166	1.4
199.03940	0.5
200.01117	0.2
201.01964	0.5
202.02597	0.2
203.03285	0.1
210.03160	0.1
211.03957	0.1
213.02010	0.2
214.02701	4.1
215.03325	0.6
215.05482	0.2
216.00665	0.4
216.06026	0.1
217.01443	0.3
218.02162	0.4
226.02699	0.4
227.03500	0.5
229.01369	0.1
229.15846	0.1
230.02417	0.1
241.01443	9.2
242.02213	22.2
243.02769	2.0
245.00934	8.1
246.01288	0.4
254.02180	0.3
255.02992	0.3
257.04565	0.4
270.01749	23.2
271.02414	4.0
272.02969	0.2
273.00385	0.6
274.01297	0.3
282.01706	0.5
283.02328	0.1
285.04102	7.6
286.04529	0.6
298.01233	6.9
299.01993	4.7
299.04758	0.1
300.02612	0.5
307.08548	0.1
313.03595	100.0
314.03989	8.7
315.05066	0.2
335.07828	0.5
339.05200	0.1
351.07285	3.2
352.07785	0.3
353.08856	7.0
354.09262	0.6
397.70276	0.1
513.10168	0.4
515.12042	1.8
516.12604	0.3
748.15839	0.1
748.33881	0.3
748.84357	0.1
755.84235	0.1
756.34583	1.1
756.84961	0.8
757.35419	0.1
763.33746	0.1
828.86542	0.2
829.35889	0.5
829.86078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00490	0.4
59.01265	29.0
60.01603	0.6
60.27551	0.2
61.98713	0.3
67.01756	0.2
71.01271	16.0
71.04901	0.2
71.51376	0.4
72.99197	0.8
73.02835	4.9
75.00770	0.2
81.40067	0.2
83.01280	2.3
85.02847	8.4
87.00775	1.1
87.05616	0.2
89.02341	5.1
93.03360	0.3
95.01283	2.1
95.04934	0.2
96.95901	1.3
97.02867	0.6
98.95507	0.3
99.00778	1.8
99.04420	26.3
100.04756	0.8
101.02352	8.4
102.02731	0.2
111.04414	0.3
112.01556	0.4
113.02357	9.7
114.02700	0.6
119.03416	1.5
124.01591	0.4
125.02373	0.8
125.09654	0.6
131.03494	0.3
133.02867	0.8
134.03696	1.1
135.04465	2.6
137.02370	0.5
143.03456	0.9
155.03496	0.3
159.02971	0.3
161.02463	1.0
161.04497	2.5
162.04967	0.2
173.04581	0.6
176.96606	0.2
178.02673	0.9
179.03474	1.4
179.05437	0.4
191.05588	2.2
194.27275	0.2
261.22208	0.5
291.23358	2.4
292.23746	0.3
299.02151	0.3
299.20279	0.2
300.02719	0.3
301.21793	0.2
305.20987	0.2
317.21307	1.2
319.22879	0.3
335.22348	3.2
336.22742	0.4
353.08853	0.7
399.25439	0.8
401.27084	0.7
417.26642	0.4
473.25275	0.5
479.26813	1.2
497.27762	1.6
521.27069	0.4
539.28625	0.6
561.30725	1.8
579.31940	6.9
580.32355	1.2
603.32092	0.4
621.32935	100.0
622.33282	18.6
665.31818	2.2
666.32391	0.5
827.43304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.9
59.01264	19.3
61.98716	1.6
71.01273	23.8
72.99194	1.4
73.02837	5.4
73.79539	0.5
78.95788	1.0
83.01269	2.8
83.04947	0.4
85.02842	11.6
87.00772	2.3
89.02335	8.1
93.03355	1.5
95.01283	2.6
96.08475	0.5
96.95900	3.5
97.02878	0.6
99.00767	2.7
99.04418	32.5
100.04762	0.5
101.02349	15.2
104.56407	0.5
107.90388	0.4
108.58186	0.5
113.02354	11.8
119.03423	2.4
125.02358	0.6
125.09579	0.9
133.02864	1.1
135.04465	1.8
143.03477	1.2
161.02364	1.8
161.04488	2.7
164.50121	0.5
173.04492	1.2
179.03557	1.0
189.74411	0.5
191.05586	5.3
195.06519	1.3
240.83049	0.6
271.02298	0.9
291.23352	1.5
296.81512	0.6
317.21295	2.1
335.22321	4.1
353.08765	1.1
399.25443	0.9
429.70068	0.6
479.26669	1.2
497.27731	1.8
507.09824	0.5
561.30920	3.2
579.31866	100.0
580.32251	18.2
603.31689	0.8
621.32910	20.2
622.33264	4.1
756.34760	0.8
829.60175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	22.0
60.01601	0.4
67.01763	0.6
69.03339	20.7
70.03664	0.4
71.01266	6.7
71.04920	1.1
71.55388	0.3
73.02834	4.1
83.01276	1.5
83.98757	0.2
85.02848	4.6
85.06477	3.1
86.18961	0.2
87.00777	0.7
87.04401	0.3
89.02353	1.1
89.22003	0.2
93.03361	0.3
95.01263	0.9
95.04906	0.4
95.57992	0.2
97.02851	52.2
98.03192	1.3
99.00778	0.7
101.02351	3.6
108.34991	0.3
113.02345	3.8
115.03925	11.3
116.04240	0.4
119.03432	0.3
123.04405	0.6
125.02319	0.3
133.02887	0.4
135.04398	0.3
139.04004	0.3
151.03891	0.2
151.52516	0.2
161.02335	0.3
161.04483	1.0
171.17184	0.3
191.05571	0.7
219.17545	0.3
220.91928	0.3
275.23862	2.6
276.24194	0.5
292.37607	0.2
298.98050	0.2
299.01938	0.6
301.21738	2.4
302.21970	0.3
319.22845	25.1
320.23166	2.5
329.28763	1.1
373.27481	1.6
374.27448	0.3
399.25421	0.6
417.26553	16.9
418.26855	2.5
441.26413	0.7
561.30853	2.7
562.31012	0.4
579.31921	4.1
580.32379	0.5
581.11041	0.3
621.32922	100.0
622.33264	20.5
709.25647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	17.7
62.22326	0.5
63.43879	0.6
69.03339	22.2
69.40765	5.1
71.01267	21.0
71.04916	1.3
72.99197	1.4
73.02836	6.6
75.00759	0.7
83.01275	2.3
84.02058	0.6
85.02842	15.0
85.06477	3.8
87.00761	1.9
87.04420	1.0
89.02341	3.7
89.12713	0.7
95.01270	2.6
97.02849	54.8
98.03201	1.4
99.00772	2.5
101.02341	10.8
113.02354	11.5
115.03921	13.7
119.03395	1.8
123.04415	0.8
125.02351	1.8
131.03419	0.9
135.04379	0.8
141.93114	0.6
143.03452	2.2
154.06769	0.6
159.02823	0.7
160.61746	0.6
161.04524	3.1
172.25018	0.6
184.65620	0.5
185.35954	0.6
191.05534	1.7
275.23883	2.2
301.21793	1.9
319.22821	28.8
320.23248	2.8
329.28571	1.3
355.26318	0.7
373.27301	1.0
417.26550	23.0
418.26929	2.8
441.26608	1.8
561.30804	5.7
562.30975	0.8
579.31824	100.0
580.32251	20.5
597.78754	0.7
621.32941	26.8
622.33191	5.3
747.34454	0.8
755.34460	2.4
755.84460	1.7
756.34711	0.8
762.33960	1.0
828.35089	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	827.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00484	1.0
59.01267	28.2
60.26446	0.5
61.98705	0.9
64.59518	0.6
67.01774	2.2
68.99705	2.7
69.03365	3.0
71.01275	48.3
72.01634	0.9
72.99200	12.4
73.02829	4.5
75.00768	35.8
78.95802	1.7
79.05395	0.8
80.08539	0.5
81.03380	1.6
83.01276	2.3
83.04913	0.7
84.02044	1.2
85.02850	49.7
86.03202	0.7
87.00778	17.0
89.02344	12.5
91.03913	2.1
92.62216	0.6
93.03356	5.9
95.01287	10.9
95.01899	0.8
95.04916	1.3
96.95934	2.3
97.02859	2.5
99.00784	33.9
99.04430	1.0
100.01109	0.8
101.02357	4.2
103.00256	3.5
104.27041	0.7
105.03342	1.9
109.02888	3.0
111.00790	3.9
111.04427	1.4
113.02364	53.7
114.02735	1.2
115.00284	3.0
117.01864	4.6
117.03300	0.6
119.04923	2.2
121.02881	1.5
121.06570	0.7
122.03668	0.9
123.00848	0.8
123.04412	0.7
125.02421	1.0
127.03927	0.8
129.01866	4.1
131.03464	0.8
133.02873	2.3
133.10164	1.3
133.28964	0.7
134.03716	0.9
135.04459	1.7
135.11722	4.9
137.02397	3.0
139.00339	3.0
139.28310	0.6
141.01886	1.5
143.03407	0.7
143.08662	0.7
145.02823	0.9
146.03662	1.5
147.04451	0.8
149.02356	1.3
149.04538	1.2
149.06085	0.7
150.03163	6.0
151.00340	0.7
151.03976	7.4
153.01866	1.9
153.05521	1.0
157.01349	5.8
159.08075	0.6
159.11719	0.8
160.01599	0.7
161.02402	32.0
161.09683	8.3
162.03185	3.3
162.10020	0.7
163.03957	2.0
165.01868	2.7
165.05539	4.5
166.02666	1.3
171.03023	1.1
172.05305	0.9
173.04526	2.4
175.02481	4.1
175.03873	1.1
176.03297	1.2
176.04761	18.7
177.05237	1.2
179.03470	61.7
179.07039	2.3
179.10747	20.2
180.04221	9.9
180.11064	0.7
181.01366	0.8
181.04947	2.4
187.07576	1.2
189.04083	1.2
191.05577	6.0
191.07149	6.6
192.05952	1.0
193.05032	2.5
194.05836	51.3
195.06584	18.8
196.06859	1.3
199.02432	1.4
205.07135	3.3
205.08824	1.0
207.05075	1.5
209.08194	32.2
210.08549	2.3
211.07619	0.9
223.09775	1.2
225.07698	1.2
231.05112	2.4
249.06201	28.0
250.06517	0.8
267.07278	86.8
267.46674	0.7
268.07541	4.6
285.04016	1.1
297.13593	1.0
371.15692	0.6
393.15411	0.9
411.16785	6.7
421.15054	1.1
428.40131	0.7
429.17798	2.2
437.14648	2.1
455.15698	21.6
456.16019	2.8
469.66095	0.8
473.16833	8.1
474.16977	1.0
479.15723	0.7
497.16678	3.0
515.17590	1.1
557.18829	1.5
599.20361	1.8
617.21063	22.0
618.21753	3.2
827.30090	100.0
827.43445	5.9
828.30334	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	827.2693
Annotation	Verbascose
Peak:m/z	Relative Intensity
58.00469	4.1
59.01266	74.9
65.80293	2.7
70.22155	2.6
71.01266	94.9
71.56892	5.7
72.99200	4.3
73.02825	9.1
78.94044	2.6
82.75318	2.5
83.01257	4.7
85.02872	16.1
87.00787	7.6
89.02337	100.0
90.03667	2.5
95.01244	6.0
101.02344	75.1
104.34828	2.3
113.02354	40.4
113.46958	2.8
117.57977	2.9
118.36805	2.5
119.03414	8.8
125.02342	2.9
127.27536	2.7
131.03394	6.2
136.50121	2.4
143.03424	11.5
149.04428	5.0
161.04485	19.6
179.05566	97.5
180.05791	2.7
186.42865	2.7
217.62636	2.7
323.09885	6.3
341.10986	19.1
388.18250	3.3
503.16266	3.9
522.98877	3.1
544.63861	3.0
647.20551	10.7
665.20837	3.1
827.26935	54.2
828.27063	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	827.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.5
61.98686	2.7
63.02262	1.1
65.00188	3.3
67.16573	1.0
69.31451	7.2
69.31855	2.6
71.01243	1.7
78.95778	1.1
83.01258	1.3
83.89358	0.8
84.59649	0.9
85.02852	1.1
88.98640	0.9
92.97124	0.8
93.03346	1.4
96.95927	1.9
98.19846	2.1
103.23656	0.9
105.03352	1.4
107.01306	5.7
108.02075	1.2
109.02789	2.1
116.92699	0.9
121.02801	2.5
133.02888	14.6
135.04445	10.8
136.04723	1.0
145.02811	1.6
147.00829	1.6
147.04451	1.1
149.02420	0.8
151.00323	15.4
152.00842	1.2
157.02995	1.0
159.04359	1.4
161.01122	1.0
161.02376	17.9
163.00285	1.1
169.01326	0.9
169.02798	1.1
175.03873	1.7
177.01837	2.5
178.99893	5.4
179.03503	4.7
183.04420	3.3
186.03194	1.2
187.03972	1.8
191.05524	2.8
193.01341	1.9
199.04001	9.4
201.01888	1.5
203.03349	1.9
211.03900	1.9
211.62222	1.0
214.02536	1.2
215.03424	3.4
221.04424	1.1
223.13301	1.2
227.03525	6.5
241.01451	5.9
242.02115	2.1
243.03015	22.9
245.00801	3.5
254.02188	1.2
255.03014	20.4
256.03665	1.1
260.24796	0.9
270.01727	6.0
271.02539	60.7
272.02997	4.8
273.03882	1.3
281.04544	1.4
283.02274	2.7
285.03870	1.3
298.01248	2.3
299.02036	100.0
300.02759	41.4
301.03549	16.8
302.03860	1.7
312.02884	1.1
313.03488	1.6
323.07617	2.2
325.03311	1.2
365.06351	1.1
369.09732	1.0
381.20837	1.8
397.42834	1.0
402.96396	1.1
417.05963	2.7
442.31839	1.0
461.05194	6.3
462.05606	1.0
463.08429	1.2
503.20667	2.7
531.14850	1.6
579.10974	1.0
623.10541	96.3
624.02777	1.1
624.10895	11.7
645.21899	1.0
665.29584	2.2
676.25171	1.2
809.32349	2.1
827.29224	38.2
828.29602	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	827.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.5
60.07806	0.2
63.02287	0.4
65.00204	0.6
69.57606	0.2
69.62649	1.2
69.63062	0.3
78.95798	2.1
83.01270	0.4
85.02826	0.2
91.01797	0.3
93.03348	1.4
96.96861	1.2
99.25690	0.2
107.01292	1.6
109.02876	0.7
113.02245	0.2
117.03346	0.3
119.04934	0.5
132.02103	0.9
135.00800	1.3
137.02376	0.2
143.04935	0.7
145.02888	0.3
147.04439	0.3
148.47983	0.2
151.00334	2.7
153.01875	0.3
157.06485	0.3
159.04436	0.8
160.45197	0.2
161.02371	0.3
163.00333	2.0
164.01135	0.4
165.01828	0.3
167.04939	0.4
169.06479	0.6
171.04482	0.6
173.04530	0.2
174.03156	0.3
178.99796	0.4
182.03760	0.2
183.04480	0.3
185.06020	1.8
187.04025	1.8
188.04254	0.2
189.05542	0.8
191.05637	1.0
195.04509	0.6
197.06026	0.8
198.03271	0.2
199.03978	0.7
201.05557	0.5
211.04007	1.8
212.04791	0.4
213.05556	1.7
227.03503	23.9
228.03830	1.7
229.05078	8.7
230.05421	0.6
233.09474	0.6
239.03590	1.3
240.04211	0.8
241.05138	1.2
243.02992	0.3
255.03027	41.3
256.03546	5.5
257.04593	5.5
258.05066	0.4
267.03073	0.6
283.02667	0.4
284.03329	51.3
285.04086	64.8
286.04443	4.5
327.05121	0.8
354.02176	0.2
504.28848	0.2
593.15247	100.0
594.15582	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	825.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	0.8
69.03345	3.5
78.95785	0.5
80.96423	0.7
83.04928	0.7
85.02845	33.8
92.79923	0.5
98.20642	0.7
104.93730	0.4
117.03379	100.0
118.03735	4.3
121.79041	0.4
275.23914	1.1
277.22015	0.6
301.21805	24.3
302.22098	2.7
319.22842	30.2
320.23184	3.1
327.21924	0.7
387.25500	87.4
388.25848	10.5
388.30768	0.7
417.56143	0.4
437.27060	88.1
438.27414	14.3
457.44568	0.4
481.48364	0.4
547.50098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	1.1
59.01270	19.2
69.03346	0.6
71.01275	13.3
71.53435	0.5
72.99191	1.1
73.02835	1.7
75.00777	0.7
76.15511	0.6
81.03349	0.9
82.22327	0.5
83.01289	1.6
83.04919	0.7
85.02847	4.7
87.00772	1.2
89.02341	7.9
93.03388	1.4
96.95898	0.7
97.02857	18.0
97.06483	1.1
99.00767	0.7
101.02358	8.4
109.02896	1.2
113.02370	3.8
119.03439	3.7
121.02958	0.5
121.06564	0.7
122.03674	1.4
127.07580	27.1
128.07921	1.5
133.02888	0.8
134.03596	0.6
135.04495	1.0
161.09671	0.8
163.11195	0.7
165.05547	2.6
165.09254	0.6
173.04607	0.7
179.10789	0.8
187.11244	1.1
189.12842	16.4
190.13309	0.9
191.05582	4.8
191.07155	4.6
203.14479	1.4
205.08710	12.7
206.09317	0.8
207.10260	3.4
221.15443	1.5
223.09775	0.7
225.11366	2.4
267.00909	0.6
269.19171	4.0
283.17117	1.9
313.18182	71.3
314.18521	7.9
331.19211	14.0
332.19901	1.2
445.58060	0.6
493.24536	12.5
494.25049	1.7
511.25616	100.0
512.25977	14.5
530.98700	0.6
746.62250	0.7
807.43719	2.0
811.63245	0.7
825.44543	19.1
826.44739	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	825.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.8
67.01773	0.2
69.03352	0.8
69.35954	1.1
71.01278	0.9
73.02861	0.1
75.00742	0.2
75.29624	0.1
79.52496	0.1
81.03355	0.5
83.01263	0.2
83.36591	0.1
83.83745	0.1
85.02848	0.9
89.02338	0.3
93.03378	0.2
95.01265	0.2
95.04887	0.1
97.02851	17.9
97.06489	0.8
98.03181	0.4
98.20618	0.2
99.04433	0.2
101.02368	0.3
105.06997	0.2
107.04909	0.2
107.88150	0.1
108.02103	0.2
109.02859	0.9
109.06474	0.2
113.02353	1.1
114.93855	0.1
119.03369	0.2
121.06504	0.4
122.03650	1.1
123.04443	0.4
123.08058	0.3
123.24469	0.1
127.07574	6.7
128.07939	0.1
133.02814	0.2
135.04436	0.4
135.08090	0.4
137.02318	0.1
145.10199	0.2
146.07353	0.1
147.08072	0.4
151.03986	0.1
153.12862	0.2
159.08144	0.2
161.02368	0.3
161.04446	0.3
161.09665	0.8
163.11208	0.3
165.05540	0.4
165.09166	0.4
173.04439	0.1
173.06036	0.1
173.09604	0.4
175.11395	0.1
179.03459	0.2
179.10712	0.2
181.12244	0.5
187.11229	0.5
189.05498	0.2
189.12833	8.3
190.13156	0.5
191.05553	0.9
191.07117	2.7
203.14406	1.5
204.14668	0.1
205.08688	6.8
206.09126	0.4
207.10245	2.6
215.14442	0.3
221.08194	0.2
221.15411	0.7
225.11211	0.2
229.15939	0.3
243.13907	0.2
245.15451	0.2
251.18164	0.2
253.16039	0.2
255.17474	0.2
267.17639	0.2
269.19159	4.1
270.19470	0.5
281.15494	0.5
283.17126	3.4
283.20154	0.1
284.17462	0.3
285.18616	0.3
287.20178	1.2
295.17102	0.7
313.18161	39.9
314.18469	3.6
315.05362	0.1
329.23465	0.4
330.23779	0.3
331.19214	100.0
332.19553	8.2
345.20834	0.2
355.19196	0.6
356.19537	0.2
367.19254	0.2
373.20160	0.9
385.20285	0.1
403.20862	0.2
405.57455	0.1
621.32745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00485	1.4
59.01269	22.6
59.55134	0.4
61.98728	2.9
66.07001	0.5
67.01785	1.1
68.99712	2.0
69.03349	0.8
69.45334	4.3
71.01274	24.4
72.01595	0.7
72.99213	3.0
73.02842	2.2
75.00769	8.9
78.91786	0.6
78.95777	0.6
83.01290	2.1
85.02842	17.9
87.00778	5.5
89.02341	11.5
93.03349	3.9
95.01305	4.2
96.95930	2.2
97.02863	1.1
99.00784	17.3
101.02347	10.8
109.02862	0.9
111.04432	1.0
112.01607	0.6
113.02364	12.9
115.00262	1.1
119.03421	2.3
119.04964	2.5
127.58243	0.5
131.03409	1.3
133.02882	0.9
134.03665	0.8
135.04459	1.9
137.02385	1.1
139.00293	0.9
145.02861	0.8
150.03183	0.6
155.03418	0.7
155.10716	1.0
157.01392	2.3
161.02408	1.9
161.04527	1.2
162.03082	0.8
163.03963	1.9
164.04643	0.6
165.05492	0.6
173.04555	2.9
175.03951	0.6
177.01837	1.0
177.05525	0.7
179.03484	1.8
179.05699	0.6
180.04060	0.6
181.05009	0.6
191.05588	9.2
191.07309	0.6
192.05864	0.7
193.05055	1.2
194.05811	1.0
195.06660	0.7
199.09767	0.8
209.08205	1.4
231.86792	0.5
243.68326	0.5
283.02826	0.7
302.03433	0.5
327.09256	0.6
350.44452	0.5
408.44318	0.6
439.32373	1.2
455.31946	1.0
485.33051	1.2
487.34891	3.7
569.35046	1.2
570.34998	0.7
601.37585	1.3
619.38550	0.9
645.36725	4.9
646.37067	0.8
825.43042	100.0
826.43433	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	825.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00474	1.3
59.01267	20.0
61.98721	0.4
67.01790	0.6
67.62202	0.2
69.03310	0.3
70.94176	0.5
70.94517	0.3
71.01273	41.5
72.01608	0.6
72.99206	1.2
73.02837	0.7
79.06834	0.2
83.01287	1.7
84.02066	1.6
85.02849	51.7
86.03187	0.8
86.42545	0.2
87.00785	1.8
89.02343	18.7
90.02631	0.2
94.82626	0.2
95.01292	21.4
96.01647	0.3
96.95937	0.2
97.02873	0.4
99.00781	0.4
101.02351	5.7
112.01588	0.2
113.02363	100.0
114.02698	2.3
115.03738	0.2
119.03419	4.6
125.02380	0.5
131.03453	1.7
139.00313	0.8
143.03453	4.4
149.04489	0.4
161.04512	30.9
162.04836	0.8
174.12172	0.2
179.05583	11.6
180.05937	0.3
195.06659	0.3
229.00749	0.2
312.78485	0.3
341.10941	0.8
391.30792	0.2
439.32285	15.9
440.32660	2.3
468.89429	0.2
825.43018	43.2
826.43335	10.3
858.31427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00493	0.2
59.01265	100.0
60.01605	1.0
60.86252	0.1
63.96128	0.3
69.03336	0.2
71.01270	11.2
71.04931	0.2
71.58084	0.3
72.99213	0.5
73.02834	4.0
75.00759	0.4
83.01274	1.6
85.02843	5.3
85.03364	0.3
87.00779	0.6
89.01812	0.3
89.02337	2.4
91.87202	0.1
93.03364	0.4
95.01290	0.7
96.95937	0.3
97.02874	0.4
97.06505	0.4
99.00780	1.4
99.08058	0.6
101.02348	7.3
102.02728	0.1
111.00766	0.2
111.04401	0.1
113.02357	4.4
119.03418	0.9
119.04932	0.3
125.02374	0.5
127.11217	0.8
129.01868	0.2
131.03488	0.2
135.04405	0.3
135.98320	0.5
137.09665	0.2
139.11230	0.5
143.03462	0.5
155.10689	0.3
157.12282	2.7
159.02914	0.8
161.02461	0.3
161.04504	3.6
161.05833	0.2
163.03999	0.3
167.10794	0.1
169.12311	0.4
173.04507	0.3
179.03506	0.3
179.05635	0.1
191.05608	0.9
202.78296	0.1
203.05563	0.8
223.43315	0.1
233.10255	0.2
246.90147	0.1
264.03857	0.1
267.62772	0.1
271.02554	0.2
297.84201	0.1
299.02100	0.5
302.56473	0.1
313.16653	3.8
314.16904	0.3
319.17606	1.2
329.17795	0.2
329.84674	0.1
331.17676	8.8
332.17978	0.8
361.18747	6.4
362.19159	0.6
373.18747	11.7
374.18951	1.1
684.35883	0.1
846.14655	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	823.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.3
67.47106	0.1
69.71662	0.6
71.01268	0.5
73.02837	0.4
83.01273	0.1
99.26086	0.1
101.02349	0.2
121.02834	0.7
122.03672	0.3
147.04483	1.2
148.05238	100.0
149.05571	4.4
157.23419	0.1
163.07593	86.6
164.07921	4.6
167.46767	0.1
186.56021	0.1
203.05553	0.4
288.65198	0.1
367.13959	0.9
368.14386	0.2
520.79688	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	823.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	95.7
60.01588	1.0
60.66967	0.9
62.91163	0.8
71.01270	25.7
71.58746	1.5
72.99179	1.6
73.02840	8.0
78.08281	0.9
81.32211	0.9
82.87337	0.9
83.01288	3.4
85.02850	5.1
87.00757	1.8
87.04412	1.1
89.02341	16.7
92.33820	1.0
93.03384	1.4
95.01287	1.6
99.00789	2.6
101.02359	19.7
113.02354	16.1
119.03428	7.0
131.03410	1.3
135.04460	1.4
141.24138	0.9
143.03456	0.9
149.04434	1.4
161.04518	4.4
163.01715	1.0
163.11241	4.0
187.13313	6.5
191.05589	3.2
207.10243	8.0
273.79175	1.2
320.58734	1.0
331.17700	22.5
332.18137	1.7
349.18698	9.4
387.16714	100.0
388.17062	9.8
389.16861	1.3
391.19858	37.3
392.20126	4.7
423.85333	1.1
449.77124	1.2
723.03394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.1
59.01265	3.1
61.98712	0.8
65.00208	0.5
67.01794	0.3
71.01265	4.1
71.57616	0.3
72.99214	0.6
73.02819	0.4
75.00761	1.5
81.03350	4.0
83.01280	1.1
85.02847	3.9
85.06506	0.5
87.00784	0.5
87.04414	0.4
87.15762	0.2
88.98716	0.4
89.02360	1.1
93.03349	0.7
95.01286	0.7
95.04936	0.4
96.95921	0.7
97.02879	0.8
97.06479	0.3
98.04619	0.2
99.00793	0.5
101.02331	0.5
107.01296	0.3
107.04992	0.3
109.02832	0.4
109.06489	2.3
109.65569	0.2
111.04427	4.0
113.02358	4.9
116.92767	0.7
121.02842	0.5
122.03647	1.1
123.00837	0.3
123.04457	0.5
123.08023	0.3
124.01570	0.3
125.02371	7.4
127.03963	0.7
127.07555	0.3
131.01175	0.3
131.03430	0.8
135.04457	0.6
137.02368	0.4
139.03960	0.4
149.02357	1.4
151.00308	1.1
151.07588	36.7
152.01076	0.9
152.07944	1.7
153.05499	0.3
157.33705	0.3
161.02341	0.4
161.04485	0.7
161.05922	0.2
163.07640	0.5
165.05495	0.8
165.09198	0.3
166.02667	0.4
167.03476	0.4
173.04506	0.4
175.00299	0.8
177.05539	0.7
179.07103	0.7
187.07539	0.4
191.05542	1.0
191.07123	2.9
193.05016	0.7
194.05804	0.7
195.06609	100.0
196.06953	5.1
201.05542	0.6
205.08702	1.6
207.06619	0.8
208.07315	0.5
209.08205	2.4
219.06627	21.0
220.07051	1.3
221.08171	0.7
234.05270	0.4
235.06075	0.3
237.07700	8.2
238.08067	0.5
249.07762	1.4
253.06714	0.2
261.07516	0.5
279.23526	0.2
284.27405	0.3
315.19281	0.4
327.11002	0.7
331.19220	9.8
332.19528	0.9
339.10919	0.5
357.11993	24.5
358.12265	2.1
390.81696	0.3
439.31915	0.4
682.31842	0.3
689.31958	31.4
690.32379	7.2
690.44458	0.3
716.36707	0.3
732.34985	0.3
748.34015	0.4
748.84045	0.4
754.85663	0.5
755.34613	0.9
755.85236	0.6
788.73083	0.3
798.36633	0.6
798.86530	0.4
799.36212	0.4
820.87555	3.7
821.37103	3.5
821.87305	2.1
822.36859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.7
59.01257	1.6
60.99188	0.6
61.57737	0.2
62.01159	0.2
66.75601	0.2
66.89599	0.2
67.01775	2.3
69.03341	0.6
70.71486	0.5
71.01265	2.3
77.43694	0.2
78.95795	6.0
81.03362	0.9
83.04915	1.2
85.02844	10.2
86.03199	0.2
87.00773	3.9
89.12283	0.2
93.03358	19.8
93.33850	0.2
94.03689	0.5
96.96864	4.4
96.99216	0.3
99.00789	0.4
99.04416	0.6
101.02301	0.2
108.02054	0.2
109.02874	1.4
111.00798	0.5
111.04432	4.6
113.02364	0.4
117.03362	1.6
119.04947	12.3
120.05318	0.4
125.02376	0.3
127.03932	2.3
129.01833	0.4
131.04956	0.3
133.02859	0.4
137.02380	4.8
139.98270	0.2
143.03442	0.2
143.03891	0.3
143.04944	1.9
145.02895	6.6
146.03210	0.4
155.03450	5.5
156.03754	0.2
163.03960	9.9
164.04317	0.4
171.02957	0.8
173.04510	15.6
173.11880	0.2
174.04846	0.8
182.66783	0.2
191.05585	100.0
192.05922	3.8
195.08150	0.2
207.04277	0.6
210.06897	0.3
211.07642	5.9
212.07991	0.4
219.92352	0.2
223.07640	1.3
233.09489	4.9
234.09900	0.3
235.07642	0.4
237.09192	1.5
239.10786	0.3
249.09019	0.4
265.08698	2.6
267.10141	0.3
283.09811	1.5
309.07785	0.7
319.08289	2.8
327.08801	7.9
328.09210	0.9
337.09348	4.5
338.09485	0.4
399.34882	0.2
413.10831	1.1
429.09155	0.2
431.11838	1.3
445.10013	0.3
457.14954	0.5
465.12283	0.2
483.13049	2.9
484.13495	0.6
501.14151	5.2
502.14597	1.1
579.16058	0.3
587.23438	0.2
629.16437	0.6
647.17664	1.0
648.18103	0.3
657.18365	4.1
658.18842	0.7
675.19507	6.4
676.19684	1.1
706.89789	0.2
803.21899	0.5
811.15216	0.2
821.23108	14.8
822.23523	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	821.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15641	0.3
59.01260	2.4
59.30928	0.3
60.99191	2.0
61.83434	0.4
65.03856	0.6
67.01778	4.9
69.03338	1.0
69.56580	1.5
69.56989	1.0
71.01280	3.3
81.03358	1.4
83.01310	0.5
83.04910	1.8
85.02848	8.4
87.00777	6.3
92.82939	0.3
93.03363	38.0
94.03717	1.0
96.99255	0.7
98.20527	0.7
99.00766	0.9
99.04431	0.5
101.02419	0.4
109.02850	1.9
110.72832	0.3
111.00783	0.8
111.04440	8.7
113.02320	0.4
115.00300	0.6
117.03394	3.3
119.04948	30.3
120.05279	1.3
123.04471	0.3
127.03941	2.9
129.01875	1.1
130.04210	0.4
131.04964	0.8
133.02895	0.6
135.04459	0.6
137.02382	6.4
143.04964	4.3
145.02895	12.3
146.03214	0.7
151.00389	0.5
152.01106	0.4
153.01848	0.4
155.03450	10.7
162.03171	0.9
163.03964	29.5
164.04269	1.2
165.01944	0.6
166.02637	0.7
171.02963	0.8
171.04544	0.5
173.04521	37.8
174.04871	1.2
177.05518	1.5
180.04248	0.8
181.05009	0.8
191.05598	100.0
192.05956	4.3
195.06570	0.4
195.08191	0.4
211.07654	7.1
212.07927	0.5
223.07628	3.5
224.08089	0.4
225.09570	0.4
235.07649	1.1
235.20761	0.4
237.09230	4.6
238.09763	0.8
239.07150	0.5
239.10831	1.1
241.49832	0.4
251.09363	0.7
265.08746	5.9
266.08963	0.4
283.09802	5.3
284.09949	0.7
309.07718	2.0
319.08289	8.8
320.08652	0.8
327.08820	31.8
328.09100	3.1
337.09390	9.0
338.09647	0.5
457.15005	0.4
483.13162	5.7
492.13919	0.4
501.14157	16.0
502.14426	2.5
535.69482	0.4
593.00537	0.4
629.18134	0.5
647.18048	3.8
648.18011	1.0
657.18396	6.8
658.19104	0.9
659.23810	2.5
675.19537	12.9
676.19684	2.0
691.29449	0.5
734.19745	0.5
803.22815	0.5
821.23145	27.9
822.23383	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	821.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.8
59.01263	2.3
60.92699	0.3
60.99195	1.8
65.03859	0.4
67.01776	6.1
68.85233	0.3
69.03352	2.0
69.34835	2.2
69.35245	0.8
71.01264	3.1
80.33128	0.4
81.03365	1.8
83.04921	2.1
85.02847	10.1
87.00777	8.6
93.03362	47.8
94.03715	1.5
96.95867	0.5
97.02861	0.3
98.20544	0.7
99.00778	0.6
99.04430	0.7
104.34520	0.3
108.02093	0.6
109.02880	1.9
111.00773	0.8
111.04437	8.0
113.02342	0.6
117.03381	3.8
119.04951	29.6
120.05275	1.4
121.02857	0.6
124.85944	0.3
127.03926	3.0
129.01831	0.9
132.05760	0.3
133.02873	0.3
137.02379	6.2
143.04994	1.7
145.02887	14.4
145.06476	0.7
146.03262	0.6
152.01056	0.4
153.01776	0.3
155.03453	9.5
156.03831	0.4
163.03960	26.6
164.04291	1.7
169.73512	0.3
171.02994	0.5
173.04517	30.9
174.04854	0.8
191.05591	100.0
192.05901	3.7
195.04599	0.4
195.08177	0.6
209.06027	0.5
210.06871	0.4
211.07620	5.1
212.07913	0.4
223.07620	3.3
235.07591	0.5
237.09203	3.6
238.09683	0.3
239.10799	0.9
239.23061	0.4
265.08878	1.9
283.09872	5.6
284.10205	0.5
309.07980	0.5
319.04846	0.5
319.08307	5.6
320.08728	0.3
327.08829	21.9
328.09137	2.3
331.17505	0.4
337.09372	12.0
338.09882	0.7
357.09818	1.4
457.14856	1.0
463.08588	0.5
483.12939	4.2
484.13635	0.5
501.14139	23.6
502.14395	3.2
647.17657	3.3
648.18646	0.4
657.08264	0.6
657.18494	7.2
658.18909	1.4
675.19452	16.6
676.19928	3.1
803.21558	0.6
821.23132	29.9
822.23462	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	821.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75351	0.3
59.01255	1.1
65.00199	1.0
67.01764	0.4
71.01276	0.7
71.59105	0.5
81.03352	0.3
83.01295	0.7
85.02848	1.6
87.00763	0.5
91.01795	1.7
93.03362	4.6
93.78488	0.3
96.99227	1.3
101.02345	0.3
106.81850	0.3
107.01305	1.8
108.02077	1.4
109.02843	1.1
111.04424	0.5
117.03380	0.6
119.04949	5.6
120.05273	0.4
121.02859	1.4
123.03827	0.2
123.04463	2.6
127.04001	0.3
129.88846	0.3
130.04120	0.3
131.04985	0.5
133.02858	1.4
134.03667	3.1
135.00797	0.4
135.04445	0.4
137.02377	0.5
143.04976	3.4
145.02875	1.4
146.03680	1.4
147.04460	0.6
148.01614	0.8
149.02405	0.4
151.00319	8.2
152.00964	0.4
155.03447	0.8
158.03667	0.8
159.04492	2.0
161.02492	0.3
161.06084	0.5
163.00365	1.6
163.03976	5.7
164.01103	0.5
167.03438	0.4
169.01360	0.9
171.04352	0.6
173.04477	2.4
173.05983	0.8
174.03136	0.5
175.03983	0.6
177.07170	0.3
178.02568	0.4
178.99860	4.0
180.22783	0.3
187.03928	0.5
191.00090	0.3
191.05595	9.9
193.04976	1.5
199.04008	0.3
211.03940	0.5
211.07617	1.1
226.02710	0.7
226.06328	0.7
227.03534	1.6
229.05002	0.6
235.07709	0.4
241.08662	0.8
243.03043	5.4
244.03435	0.3
245.04602	0.8
251.07181	5.0
252.07887	2.0
253.08739	1.3
254.02267	1.6
254.09482	0.7
255.03029	15.8
256.03461	1.3
265.08737	0.7
267.10129	0.4
271.02539	35.5
272.03006	3.1
273.03992	0.4
279.06583	1.1
280.07452	4.0
283.02502	0.8
295.09845	3.1
296.10135	0.3
299.02066	1.0
300.02817	68.2
300.30527	0.3
301.03534	34.0
302.03970	2.3
304.97183	0.3
324.06467	0.8
327.08817	3.3
337.09381	1.2
339.08899	1.3
357.09872	43.5
358.10193	3.4
365.14758	0.3
416.88248	0.3
418.64883	0.3
452.75937	0.3
463.08932	100.0
464.09174	10.0
483.13571	0.4
501.14117	0.7
647.18085	0.7
657.18054	0.4
675.19550	0.7
821.23816	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.2
61.98717	100.0
62.98439	0.2
71.01266	0.6
71.58031	0.2
78.91795	0.1
78.98512	0.2
79.95639	0.4
80.96413	1.9
81.73650	0.1
85.02854	0.2
87.00798	0.2
88.74870	0.1
93.03391	0.2
94.97985	0.5
96.95908	0.1
101.02365	0.2
132.40889	0.1
134.97511	0.2
140.26750	0.1
148.99083	0.1
152.99672	0.1
164.98621	0.3
171.10210	0.2
177.91243	0.1
178.68918	0.1
182.31058	0.1
191.05612	0.2
201.07909	0.1
206.99786	0.1
211.13409	0.1
225.00772	0.5
247.09702	0.1
265.10666	0.3
277.21829	0.3
278.22244	0.2
356.55679	0.1
385.32758	0.1
483.19009	0.1
621.04749	0.1
731.37653	0.4
820.42529	1.0
821.41211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
59.01264	100.0
60.01604	1.2
60.15348	0.2
66.06186	0.1
69.03358	0.3
71.01271	10.3
72.99215	0.3
73.02837	3.8
75.00749	0.3
78.95837	0.2
81.39091	0.1
83.01264	1.3
84.73120	0.1
85.02844	4.9
85.86130	0.2
87.00778	0.4
89.02336	3.0
95.01275	0.9
97.02879	0.2
99.00776	2.2
101.02345	7.9
107.04958	0.2
108.02088	0.3
108.34837	0.2
111.00832	0.2
113.02359	4.3
115.37815	0.2
119.03429	0.4
125.02352	0.4
129.01871	0.3
131.03430	0.6
134.03696	0.2
143.03465	0.6
146.16826	0.2
149.04514	1.9
159.01801	0.2
159.02924	0.9
161.02400	0.2
161.04503	5.1
173.04617	0.2
191.05571	1.4
193.04988	0.2
239.01126	0.2
251.07555	0.3
269.07910	0.1
269.10376	10.2
270.10748	0.8
311.11444	11.2
312.11658	0.8
355.10428	0.5
463.21954	5.4
464.22537	0.6
549.02344	0.2
763.79395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.5
61.98720	55.3
63.96117	2.5
69.03340	1.2
69.94395	1.2
69.94807	1.5
71.01274	9.7
73.02844	1.8
78.91798	1.0
78.95793	1.3
78.98484	8.6
79.95628	16.9
80.96413	100.0
81.03347	1.0
83.01292	0.8
85.02843	3.6
87.00774	3.5
94.97988	21.4
95.01286	0.7
96.95905	3.1
97.02886	2.3
97.19742	0.4
99.00781	0.9
101.02367	4.0
106.98003	4.4
120.99643	0.5
122.97504	4.8
125.02355	3.8
127.03986	0.8
134.97507	6.1
136.99063	1.8
148.99086	8.5
151.11217	0.8
152.98572	8.3
152.99684	0.7
153.01877	0.7
157.51886	0.6
164.98586	16.1
167.00215	1.0
191.05571	1.3
197.11842	0.7
201.29233	0.5
206.99641	3.6
209.11801	2.6
210.12288	0.5
219.09979	2.4
225.00761	26.0
226.01117	0.9
253.09416	0.9
263.09067	3.5
277.21683	2.5
279.23444	2.3
289.18207	0.7
291.19687	2.7
293.21365	0.7
309.20697	1.4
364.23016	0.5
396.47333	0.5
419.31854	0.6
481.17184	0.9
499.18082	1.1
509.17117	0.6
541.19769	2.7
543.28857	0.5
559.25909	1.6
560.45819	0.6
650.56470	0.5
737.40601	0.6
787.64191	0.6
789.17828	0.5
819.42255	93.6
820.42596	25.5
820.58331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	0.1
61.98721	100.0
62.98419	0.1
69.99936	0.1
70.00327	0.1
71.01292	0.1
78.95833	0.1
79.65530	0.1
80.96425	0.3
85.02862	0.1
96.95954	0.1
98.19897	0.1
108.52242	0.1
127.64236	0.1
190.54227	0.1
204.39102	0.1
209.11858	0.9
210.12154	0.5
211.12442	0.2
215.89478	0.1
227.12981	0.1
238.85506	0.1
252.38104	0.1
254.19572	0.1
277.21848	0.7
278.22171	0.6
279.22369	0.3
300.07220	0.1
310.43768	0.1
366.10287	0.1
537.10437	0.1
818.41675	0.1
819.42133	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	817.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	5.6
61.98719	100.0
62.37288	1.0
71.01272	96.7
75.00769	11.9
77.26041	1.2
78.95840	1.8
80.96414	4.7
85.02872	1.4
87.00791	1.9
88.98705	3.3
89.02327	1.7
93.36884	1.2
94.97952	1.6
97.02827	1.7
98.19776	3.4
101.02369	5.0
109.06507	2.2
113.02368	2.3
160.90562	1.2
161.04562	1.5
163.11270	1.7
171.10222	73.3
172.10568	3.0
191.05531	3.9
199.09763	10.1
201.11238	6.1
203.48883	1.4
207.10222	7.9
225.00763	2.1
225.11314	5.8
229.35214	1.5
235.08292	4.4
253.09267	9.5
277.21790	80.2
278.22150	8.7
346.46512	1.4
550.92902	1.7
695.39795	1.8
721.42340	3.4
722.42322	2.1
817.39130	2.1
817.52808	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	817.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01594	0.8
60.10250	0.3
61.98719	22.8
69.03337	0.7
71.01266	2.5
73.02855	0.6
78.95791	0.4
80.96413	1.2
85.02846	0.6
87.00773	0.6
89.02332	2.2
93.03369	0.4
96.99218	0.7
97.02866	1.2
101.02324	2.0
111.00781	0.5
113.02351	1.0
119.03403	0.6
125.02323	1.0
139.00177	0.3
141.01633	56.3
142.01973	1.1
143.03429	0.6
179.05618	0.5
191.05597	0.6
225.00526	0.4
227.89111	0.3
235.08214	0.5
243.04951	0.5
262.78748	0.4
277.21786	5.9
345.08078	0.4
359.22049	4.1
360.22672	0.6
372.12317	0.3
397.13620	11.0
398.13913	0.9
415.14633	2.0
419.11865	1.8
437.12784	3.1
438.13007	0.5
440.41989	0.3
675.36334	0.7
697.33795	3.2
698.34296	0.9
817.50946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01600	0.8
61.98721	10.7
62.58371	0.3
64.34196	0.3
71.01263	3.4
71.58412	0.4
73.02853	0.5
78.95798	0.5
79.95639	0.4
80.96409	2.3
83.01226	0.3
85.02865	0.9
85.03316	0.4
87.00762	0.4
89.02347	2.1
93.03350	0.3
94.98001	0.4
97.02855	0.8
100.13226	0.3
101.02374	1.9
105.48686	0.3
113.02372	1.2
125.02357	1.2
135.47549	0.3
141.01640	61.5
142.01967	1.2
146.28018	0.4
149.20477	0.4
161.04562	0.4
165.01633	0.4
191.05609	1.6
209.11856	0.7
210.24226	0.3
235.08235	1.2
243.04889	0.8
277.21765	6.3
278.22098	0.5
359.22122	4.7
397.13608	11.9
398.13843	1.1
409.38229	0.4
415.14636	2.5
419.11905	2.2
437.12918	4.6
469.06689	0.7
675.35712	1.4
697.34027	2.6
698.34387	0.8
817.51202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01606	1.1
61.98720	19.4
69.44176	2.6
71.01270	2.4
73.02851	0.4
79.95632	0.4
80.96414	0.8
85.02846	0.8
87.00796	0.5
89.02358	1.9
94.97982	0.3
96.99203	0.4
97.02863	0.9
101.02347	2.1
113.02372	1.2
113.58193	0.3
119.03439	0.4
120.84777	0.3
125.02389	1.1
135.04471	0.3
141.01637	57.2
142.01996	1.2
161.04495	0.3
191.05600	0.9
230.78178	0.3
235.08261	1.0
243.04926	0.8
277.21783	5.6
278.22144	0.6
305.08942	0.3
359.22137	4.7
371.22131	0.3
397.13605	10.8
398.13950	0.8
415.14734	2.2
417.73199	0.3
419.11633	2.0
437.12750	4.2
459.17603	0.3
497.15353	0.4
563.93958	0.3
675.35907	1.3
697.33978	3.0
698.33875	0.8
817.50787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.5
61.72347	0.1
61.98716	0.5
63.02264	0.7
65.00192	0.8
69.70483	1.1
69.73247	0.1
71.01273	0.5
73.02831	0.2
80.96432	0.3
83.01286	0.4
85.02843	0.3
87.00802	0.2
88.65359	0.2
89.00239	0.4
89.02350	0.2
94.97968	0.2
95.01293	0.2
96.95910	1.6
97.66454	0.2
101.02349	0.2
107.01296	1.2
109.02843	1.0
115.05431	0.2
119.04932	0.2
121.02861	0.2
121.41075	0.2
133.01886	0.2
133.02881	3.7
134.03314	0.2
135.00807	0.4
135.04407	0.8
143.04964	0.8
145.02907	0.3
147.00809	0.4
147.04422	0.4
149.02370	0.3
150.06731	0.2
151.00311	1.4
155.04926	0.4
157.02888	0.7
159.04430	0.4
161.02385	3.9
161.06107	0.2
169.01346	0.2
171.04488	2.2
172.04779	0.2
173.02429	0.8
175.03972	1.6
176.04346	0.2
179.03459	0.6
182.03603	0.2
183.04477	0.3
185.02359	0.3
187.03978	1.5
189.05568	0.3
191.05547	0.8
197.02388	0.5
198.03183	0.5
199.03992	6.0
200.04303	0.3
201.01924	2.7
203.03462	0.7
213.01875	0.2
214.02689	0.2
215.03487	2.7
226.02777	1.0
227.03496	3.4
228.03937	0.2
229.01512	0.2
241.01447	0.2
242.02206	0.9
243.03014	3.2
244.03433	0.2
255.02997	0.7
271.02533	44.2
272.02869	3.1
282.01752	0.4
298.01224	0.2
299.02029	100.0
300.02383	7.3
301.03403	0.5
309.65573	0.2
313.03589	0.4
353.08856	0.2
473.14557	1.2
487.16641	0.2
493.35818	0.3
817.47400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.6
59.01263	2.3
59.59185	0.2
63.96128	1.9
67.01823	0.3
69.03348	1.0
71.01272	11.2
71.45175	0.3
72.99178	0.4
73.02834	2.3
74.57485	0.2
78.02375	0.2
78.95808	1.2
78.98485	8.0
79.95626	17.1
80.96410	100.0
81.03355	0.8
81.96359	0.3
83.01271	0.5
85.02850	3.6
87.00777	3.4
94.97989	22.1
95.01291	0.5
96.95904	1.4
97.02861	1.7
99.00763	0.8
99.04440	0.4
101.02351	2.9
106.97994	4.1
109.02882	0.2
113.02357	0.4
122.97502	4.0
125.02368	3.3
127.03928	1.2
129.47519	0.2
134.97519	6.7
134.98555	0.3
136.99077	1.9
141.01611	1.3
143.03415	0.3
146.97571	0.3
148.97946	0.4
148.99095	7.4
152.98563	6.3
155.69174	0.2
164.98587	12.9
165.98854	0.4
167.00221	0.6
182.99637	0.4
188.98627	0.4
206.99681	2.6
216.13301	0.2
220.80109	0.2
225.00760	17.3
226.01036	0.6
243.02010	0.3
251.97878	0.2
255.23430	1.7
277.21838	1.3
279.23312	0.3
283.04950	0.4
305.02356	0.4
323.40881	0.2
387.02786	0.4
537.27649	1.4
539.18420	0.3
559.26154	1.5
775.45593	0.3
815.50037	72.9
816.50360	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	815.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40750	0.6
59.01266	5.2
61.98706	1.5
69.59327	3.7
71.01270	3.2
72.99220	0.7
73.02831	1.5
78.95797	61.9
80.02541	0.7
81.03359	1.0
83.04933	4.0
83.89774	0.5
84.02071	0.7
87.00760	0.7
89.02327	2.0
95.04942	1.3
96.96865	14.1
97.02822	0.7
98.19795	1.0
101.02338	1.9
109.06481	2.2
113.02361	1.3
123.26080	0.5
125.09620	1.6
127.11174	1.4
133.02844	0.6
134.98439	1.0
135.08076	0.8
137.09575	0.7
140.14146	0.5
152.99536	13.6
161.04517	0.8
163.11269	3.5
165.12779	1.7
171.10226	48.0
172.10585	3.0
181.12257	1.5
199.09782	4.7
201.11343	3.3
207.10220	2.9
209.11818	100.0
210.12135	5.6
215.12906	1.4
223.00107	4.6
225.11328	5.0
227.12897	11.6
228.13145	0.6
235.08252	3.3
241.01224	29.0
242.01418	0.9
243.12390	0.7
253.09308	7.7
255.23349	38.9
256.23627	4.1
259.02304	1.3
261.13489	1.6
277.21790	72.8
278.22177	7.0
297.03870	2.1
315.04929	0.7
391.22641	3.0
445.20844	3.0
471.07260	0.7
513.30975	1.5
519.69537	0.6
526.93079	0.6
553.27875	1.9
617.33765	0.8
725.39001	40.5
726.39441	9.4
753.37646	2.6
779.40405	3.1
797.41022	13.2
798.41638	2.7
815.42084	14.5
816.42200	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	815.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	6.2
61.98703	2.4
71.01273	4.2
71.56958	1.2
73.02829	1.2
75.77073	0.7
78.58503	0.6
78.95795	78.6
80.02547	1.1
81.03345	0.9
83.04910	4.6
84.02062	0.7
85.02868	0.7
87.00768	0.7
89.02343	1.9
95.04911	0.8
96.96864	17.7
101.02351	2.1
107.21736	0.6
109.06508	1.8
110.13615	0.6
113.02341	2.0
119.03392	1.1
125.09650	2.2
127.11212	2.1
134.98413	1.4
135.08093	0.8
152.99530	21.9
153.09178	0.9
163.11246	5.0
165.12796	2.0
171.10229	56.6
172.10555	3.8
181.12325	1.4
199.09743	5.8
199.13472	0.9
200.40944	0.7
201.11327	4.6
207.10229	4.5
209.11826	100.0
210.12202	5.0
215.12944	1.1
223.00114	7.4
225.11365	6.8
227.12888	11.1
235.08286	2.4
241.01212	39.9
242.01578	1.3
243.12366	1.9
253.09341	9.2
255.23335	46.1
256.23569	4.2
259.02277	2.7
261.13641	3.3
277.21780	76.0
278.22137	6.8
297.03864	2.1
307.09546	0.9
315.05038	1.5
379.11591	0.7
391.22720	3.6
409.23425	0.7
429.16766	0.7
445.21036	3.2
553.28033	2.8
571.28668	0.9
725.38977	56.9
726.39349	10.9
753.38513	2.3
779.39612	4.2
797.41034	17.5
798.41199	4.7
815.42084	16.1
816.42432	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	815.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.1
58.00488	0.7
59.01266	19.2
61.98710	0.4
67.01789	0.4
68.99705	0.4
70.86682	0.5
70.87025	0.5
71.01272	14.4
72.99203	12.2
73.02834	1.7
75.00789	0.3
78.95793	0.6
79.95628	0.3
80.96421	1.0
83.01276	1.3
85.02843	5.1
87.00789	1.0
89.02341	11.5
90.02707	0.4
93.03348	2.6
94.08823	0.3
94.97968	0.4
95.01295	1.2
96.95911	1.0
97.02871	0.3
98.24358	0.3
98.95525	0.6
99.00792	1.2
101.02348	9.4
102.02682	0.4
108.02094	0.4
111.00796	0.4
113.02364	5.5
117.03392	1.4
119.03489	3.4
119.04946	100.0
120.05274	4.3
121.02881	1.1
123.04456	0.4
125.02421	0.7
127.03956	0.5
131.03450	0.6
133.02856	0.5
133.06554	0.4
134.03670	1.1
135.04448	1.1
137.02373	0.5
145.02887	3.2
147.04472	0.4
151.00307	0.3
152.01076	0.8
159.04399	0.4
161.02396	1.1
161.04465	0.4
161.05998	0.5
162.03166	0.6
163.03960	50.8
164.04308	2.3
165.94151	0.3
167.03452	0.7
173.04507	2.2
175.03966	0.3
178.02568	0.4
179.03499	0.4
183.13826	0.6
185.43346	0.3
187.03896	0.4
191.05585	7.3
191.07068	0.4
192.05949	0.6
193.05057	1.0
195.13890	7.2
196.14252	0.5
205.05040	0.8
211.07736	0.5
213.14934	2.9
225.00681	0.7
235.06148	0.4
255.02904	0.6
255.33392	0.3
264.46695	0.3
271.02567	0.6
271.09906	0.3
277.07315	0.6
283.02567	0.7
299.01971	0.8
325.09589	0.5
331.19144	0.4
357.19244	0.7
375.20313	33.7
376.20755	3.2
439.12579	3.8
440.12943	0.7
457.13623	22.1
458.13818	2.4
528.89740	0.3
709.99292	0.3
734.93378	0.3
781.15057	0.4
815.33655	46.0
816.34070	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	815.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.7
62.23015	0.2
63.02276	1.4
65.00212	1.2
66.41296	0.2
67.01775	0.7
69.03365	0.4
69.52692	1.7
71.01269	1.4
73.02853	0.2
78.95790	0.3
81.03364	0.2
83.01287	0.7
83.04922	0.3
85.02850	1.3
87.00785	0.6
89.00213	0.3
89.02364	0.3
93.03355	5.4
96.95916	0.9
99.00771	0.3
101.02325	0.4
107.01302	1.9
108.02146	0.3
109.02868	2.7
111.00816	0.5
111.04450	1.7
113.02307	0.4
115.05436	0.3
117.03367	0.3
119.01273	0.3
121.02905	0.4
127.03947	0.4
131.04944	0.4
133.02887	5.8
134.03783	0.9
135.00830	0.6
135.04451	19.5
136.04800	0.8
137.02379	2.3
143.04987	1.6
145.02902	0.6
147.00803	0.5
147.04417	0.5
149.02454	0.2
151.00304	1.5
155.03444	3.0
155.04877	0.6
157.02902	1.2
159.04483	0.7
161.02391	8.5
162.02855	0.4
163.03920	0.4
169.01422	0.3
169.02919	0.3
171.04462	4.0
173.02251	0.7
173.04514	24.4
174.04866	0.9
175.00281	0.2
175.03979	2.5
179.03461	20.5
180.03810	0.9
183.04416	0.5
185.02455	0.6
187.03995	1.8
189.05499	0.4
191.05591	14.9
192.05983	0.5
197.02420	0.9
198.03259	1.0
199.03999	9.5
200.04280	0.7
201.01935	3.5
203.01825	0.2
203.03461	1.3
211.07639	0.2
213.01904	0.3
214.02573	0.4
215.03485	3.5
225.01949	0.6
226.02699	1.5
227.03497	4.5
228.03769	0.4
229.01399	0.3
241.01511	0.4
242.02386	1.0
243.03027	4.6
244.03348	0.6
255.03069	0.9
261.58008	0.2
271.02536	58.4
272.02847	3.9
282.01743	0.6
283.02438	0.3
299.02029	100.0
300.02414	8.3
300.05304	0.2
301.03256	0.3
316.60867	0.2
335.07800	2.7
336.08267	0.3
353.08844	16.1
354.09134	1.1
401.14545	0.3
515.12061	47.0
516.12384	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	815.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.2
63.02276	0.8
63.91293	0.1
64.99883	0.2
65.00186	0.8
71.45547	0.3
79.01837	0.1
82.82059	0.1
83.01245	0.3
85.02848	0.3
89.00209	0.2
89.92651	0.1
93.03370	0.2
95.01294	0.2
102.76149	0.1
107.01295	1.1
109.02862	1.3
115.05437	0.2
131.04922	0.2
133.02875	2.3
135.00833	0.3
135.04449	2.4
143.04987	1.0
145.02859	0.3
147.00798	0.4
147.04446	0.4
149.02370	0.2
151.00328	1.4
155.03459	0.2
155.04941	0.4
157.02928	0.8
159.04477	0.2
159.75679	0.1
161.02405	0.5
163.04051	0.2
169.01385	0.2
170.03651	0.2
171.04446	2.4
172.04897	0.1
173.02388	0.4
173.04478	0.7
175.03995	1.3
176.04405	0.1
177.01860	0.1
177.32515	0.1
179.03456	2.8
182.03668	0.3
183.04440	0.4
185.02496	0.1
187.03984	1.0
191.05583	4.6
192.05875	0.3
197.02504	0.6
198.03247	0.7
199.03984	6.3
200.04297	0.4
201.01920	1.9
203.03574	0.7
210.45999	0.1
213.01933	0.3
214.02684	0.3
215.03497	2.6
215.05452	0.3
225.01965	0.4
226.02757	1.0
227.03485	3.1
228.03871	0.3
229.01453	0.1
241.01442	0.2
242.02193	0.6
243.00490	0.2
243.03020	3.1
244.03163	0.1
255.02966	0.9
271.02530	42.6
272.02863	3.5
272.05685	0.2
281.01315	0.1
282.01813	0.4
298.01355	0.1
299.02023	100.0
300.02374	8.1
313.03540	0.3
351.07211	0.3
353.08856	9.0
354.09250	0.9
399.47134	0.1
515.11847	1.0
516.12775	0.1
607.97375	0.1
674.06268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.1
59.01262	0.5
61.53957	0.1
63.01983	0.1
63.02278	1.3
64.99883	0.2
65.00192	0.9
67.01771	0.1
69.27065	1.0
71.01270	0.2
74.93949	0.1
75.96999	0.1
79.01782	0.2
79.28634	0.1
83.01261	0.5
85.02818	0.4
89.00204	0.3
91.01781	0.2
93.03357	0.6
95.01270	0.2
96.95885	0.2
101.02297	0.2
105.03372	0.2
107.01289	1.3
108.02099	0.2
109.02853	1.7
111.04401	0.3
113.02313	0.2
115.05459	0.3
117.03377	0.1
119.01294	0.2
119.04925	0.1
121.02876	0.1
127.03956	0.1
127.05437	0.1
131.04918	0.2
132.02115	0.1
133.02884	3.7
134.03583	0.3
135.00818	0.6
135.03416	0.2
135.04440	3.6
136.04776	0.2
137.02376	0.1
139.03949	0.1
139.05476	0.1
143.03746	0.1
143.04951	1.3
145.02850	0.4
147.00780	0.4
147.04414	0.3
149.02370	0.2
151.00290	1.3
155.03477	0.3
155.04933	0.6
157.02875	0.9
159.04425	0.4
160.98749	0.1
161.02377	0.8
161.04539	0.1
161.06000	0.1
163.03912	0.1
169.01408	0.2
169.02863	0.2
170.03676	0.3
171.04466	3.0
172.04836	0.2
173.02361	0.6
173.04500	1.9
173.05974	0.1
174.04878	0.1
175.03963	1.8
176.04391	0.1
177.01869	0.2
179.03455	4.1
180.03770	0.2
182.03639	0.3
183.04501	0.5
185.02365	0.3
187.03979	1.4
188.04391	0.2
189.01894	0.2
189.05510	0.4
191.05585	7.7
192.05902	0.3
197.02446	0.7
198.03230	0.8
199.03978	6.9
200.04279	0.5
201.01915	2.2
202.02271	0.1
203.03493	0.7
210.03032	0.1
213.01872	0.3
214.02678	0.4
215.03494	3.1
216.03812	0.1
225.01929	0.3
226.02711	1.2
227.03482	3.6
228.03728	0.3
229.01393	0.3
231.03064	0.1
241.01480	0.3
242.02217	1.1
243.03009	4.1
244.03326	0.3
253.01558	0.1
255.02979	1.0
271.02533	49.6
272.02890	3.7
272.05978	0.1
282.01733	0.5
298.01157	0.2
299.02029	100.0
300.02383	7.7
311.09204	0.1
313.03525	0.4
331.04520	0.3
335.07834	0.2
351.07297	0.5
353.08838	10.9
354.09210	0.9
515.12073	2.0
516.12561	0.3
543.28827	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	813.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74682	0.4
58.00490	0.7
59.01268	67.0
60.05928	0.4
61.98727	0.6
69.03353	0.8
69.40540	3.7
71.01275	10.9
72.99208	0.7
73.02829	4.0
78.95801	3.0
79.95679	0.4
80.96424	1.1
82.19014	0.3
83.01305	0.6
83.40089	0.3
84.02065	0.5
84.79171	0.4
85.02836	2.5
87.00787	0.7
89.02346	4.5
92.19308	0.4
95.01308	0.7
96.96894	0.8
97.02869	0.8
97.06515	1.3
101.02350	3.8
109.02892	0.4
113.02365	6.6
116.63421	0.4
119.03426	1.5
120.54247	0.4
125.05990	0.6
127.07547	0.5
139.07603	0.5
140.36691	0.4
152.99551	0.5
161.04523	3.9
162.04826	0.4
179.05693	0.6
191.07095	4.4
205.08676	3.6
206.09195	0.4
207.10258	2.4
209.11893	2.2
221.08279	0.8
241.01228	1.0
255.23369	1.6
263.23972	0.4
273.22290	2.2
274.42703	0.4
277.21790	100.0
278.22116	9.8
291.23364	15.8
292.23718	1.5
301.21735	1.8
313.18173	25.8
314.18488	2.9
319.22861	6.9
320.23160	1.0
331.19153	0.9
335.22693	0.5
349.24222	0.5
373.23911	0.5
396.11481	0.4
475.23529	5.2
476.23804	1.0
493.24182	0.9
650.13367	0.4
682.55774	0.4
753.45856	2.7
754.45679	0.5
771.35754	0.5
813.43799	4.7
814.44794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03263	0.7
57.03546	0.3
59.01197	0.3
61.98664	0.2
71.58508	0.3
71.78484	0.2
78.95797	3.4
97.06397	0.5
123.07993	0.6
125.09639	2.8
128.88524	0.2
133.02866	0.2
141.12785	0.9
149.09645	1.2
151.11151	0.3
152.99478	1.2
165.12759	0.2
168.04167	0.5
185.11812	7.1
186.12099	0.2
191.05533	0.3
197.11827	2.1
209.11852	0.3
224.06943	0.3
242.08035	1.0
249.22162	1.0
275.20145	0.4
281.24918	39.1
282.25250	3.8
293.21298	100.0
294.21631	8.6
471.23218	0.2
506.32645	18.9
507.33047	2.3
627.98895	0.2
654.45361	0.2
755.49408	0.2
815.43213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.9
62.96285	0.2
65.44743	0.1
70.02469	0.4
71.01283	0.3
78.95797	81.8
85.02831	0.2
87.00781	0.1
93.03362	0.2
95.96098	0.1
96.96867	59.2
97.97363	0.1
119.04943	0.1
135.04466	0.1
136.69362	0.1
137.02455	0.1
161.04533	0.1
163.04089	0.1
170.98805	0.1
173.04472	0.2
179.05403	0.1
181.05002	0.1
191.05588	0.7
191.80998	0.1
233.09505	100.0
234.09848	4.5
237.16956	0.1
373.18781	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	813.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
58.00499	0.7
59.01266	25.1
61.81059	0.7
69.45832	6.1
71.01268	6.4
75.00770	0.8
78.95792	2.1
79.95616	0.8
80.02583	1.2
80.96410	1.9
81.03369	2.7
81.43629	0.7
83.01305	0.9
83.04905	4.0
85.02847	2.3
87.00776	1.6
88.98679	0.7
89.02332	4.6
93.03362	1.7
95.04940	0.7
97.02855	6.1
98.20531	1.2
99.00798	1.7
99.04352	0.8
101.02340	4.5
106.04152	0.8
107.04945	1.0
108.24610	0.7
109.06506	39.6
113.02375	2.3
121.06503	1.8
135.08072	3.0
142.02670	2.2
161.04491	2.1
161.09683	1.5
163.10005	1.3
163.11252	18.8
164.11620	0.9
179.05641	0.8
181.12253	3.4
189.09195	3.6
191.05553	2.6
207.10258	100.0
208.10587	5.4
209.11833	2.0
225.11328	35.3
226.11597	1.5
235.08185	3.5
239.12955	1.6
243.12180	0.7
253.09315	13.8
277.21790	83.3
278.22147	6.3
299.15121	1.1
302.37845	0.7
441.33835	1.9
443.19263	7.8
444.19781	1.2
461.14371	1.2
461.20432	11.3
462.20691	1.0
467.31909	0.9
703.41351	2.2
721.41852	36.2
722.42499	6.2
786.41223	0.8
813.43463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00993	0.4
59.01264	5.3
63.02280	0.5
65.00221	1.2
69.03325	0.3
69.90849	0.2
71.01267	1.0
71.55122	0.2
72.19307	0.2
73.02819	0.3
73.70717	0.2
81.90817	0.2
83.01279	1.1
85.02849	0.3
89.02326	0.5
90.01033	0.2
91.01811	0.3
93.03371	0.4
95.73154	0.2
101.02327	0.7
104.34126	0.2
107.01289	2.7
108.02074	0.8
109.02843	1.3
113.02354	0.4
115.57643	0.2
116.81178	0.2
119.01297	0.3
121.02867	1.2
123.00826	0.2
125.02350	0.4
133.02869	0.4
135.00798	0.4
135.04410	0.4
136.01590	0.7
147.00830	0.4
148.01604	1.1
149.02357	0.3
151.00311	9.6
152.00993	0.5
153.01868	0.3
161.02383	0.4
161.04475	0.4
161.05881	0.2
163.00319	1.4
164.01060	0.4
165.01941	0.4
169.01376	0.7
171.04300	0.3
178.99828	5.2
179.03508	0.3
183.04549	0.3
187.03986	0.3
190.99774	0.4
191.05629	1.6
192.00668	0.5
199.03969	0.7
201.02087	0.3
203.03365	0.4
211.03932	0.6
213.01794	0.3
215.03473	0.3
226.02765	0.9
227.03516	1.8
229.05064	0.3
241.99812	0.3
243.03018	5.2
244.03638	0.5
245.04465	0.7
254.02150	1.5
255.03024	13.9
256.03488	1.6
257.04663	0.3
271.02533	32.8
272.03003	3.9
273.03995	1.1
275.15097	0.4
283.02518	0.6
293.16269	1.3
299.02078	3.4
300.02817	63.1
301.03537	30.0
302.03958	2.4
315.69238	0.3
319.14536	0.3
329.03088	0.8
330.03183	0.4
331.04633	7.8
332.04910	0.9
335.17105	1.4
348.04550	0.4
349.05695	4.6
350.06412	0.3
377.35074	0.2
389.18228	0.7
445.11301	0.3
463.08923	100.0
464.09238	13.5
464.15958	0.5
566.57422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.1
59.01262	0.8
63.02297	0.3
64.99936	0.1
65.00257	0.3
69.03326	0.1
69.85333	0.4
69.85742	0.2
70.33788	0.1
71.01276	1.0
72.99197	0.2
73.02835	0.2
75.00755	0.1
77.03841	0.2
81.03368	0.1
83.01281	0.2
85.02840	1.4
87.00782	0.3
89.02350	0.3
93.03370	0.6
95.01295	0.2
95.04936	0.2
95.62561	0.1
96.95913	0.1
97.02816	0.1
97.25373	0.1
99.00763	0.2
99.04406	0.1
101.02356	0.2
104.59754	0.1
105.03383	0.7
107.01279	0.4
108.02090	0.1
109.02866	0.2
111.00809	0.2
111.04427	0.2
113.02351	0.8
119.04948	1.8
121.02896	0.2
123.04425	0.3
127.03909	0.3
129.01828	0.1
131.03429	0.5
132.02065	0.1
133.02892	4.2
134.03612	0.1
135.04440	1.2
137.02391	0.2
143.03380	0.2
145.02931	0.5
150.03168	0.2
151.00313	0.7
151.03966	0.1
155.03461	0.1
158.03616	0.3
159.04301	0.1
161.02382	0.6
163.00311	0.1
163.02699	0.2
163.03960	2.6
167.95432	0.1
170.03673	0.4
171.04410	0.1
172.01588	1.0
173.02293	0.2
173.04486	1.2
174.03198	0.2
177.01903	1.5
179.03464	0.5
185.02448	0.1
186.03189	1.5
189.01958	0.6
190.02634	0.1
191.05579	1.5
197.02443	0.2
198.03197	1.2
199.03912	0.3
201.01863	0.4
202.02560	0.2
211.04051	0.2
213.01894	0.3
214.02695	3.6
215.03305	0.4
216.00659	0.4
217.01381	0.3
218.02164	0.3
226.02815	0.5
227.03502	0.3
241.01450	7.4
242.02220	17.7
243.02859	2.6
244.03433	0.1
245.00952	7.2
246.01234	0.4
254.02136	0.1
255.02950	0.4
257.04596	0.6
258.04919	0.1
270.01752	19.3
271.02368	2.9
272.02963	0.2
273.00455	0.4
274.01352	0.2
282.01785	0.6
283.02499	0.5
285.04114	7.8
286.04584	0.7
298.01248	6.7
299.01913	1.4
300.02661	0.2
313.03607	100.0
314.04022	9.7
315.04947	0.3
319.08307	0.2
333.06097	0.1
337.09561	0.4
351.07312	1.7
353.08841	0.2
361.09366	0.2
462.21777	0.3
497.10950	0.3
643.51459	0.1
650.39331	0.1
705.68567	0.1
740.33600	0.2
740.84143	0.4
741.34271	0.1
747.32843	1.3
747.83142	0.9
748.33722	0.3
795.32104	0.2
795.82520	0.2
813.35089	1.0
813.84735	0.6
814.35870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.8
58.00487	1.8
59.01267	24.0
61.77053	0.4
61.98724	2.3
61.98996	0.4
71.01273	37.1
71.59826	0.7
72.01592	0.5
72.99187	2.5
73.02840	6.3
75.00744	0.7
78.95807	0.5
83.01287	5.0
85.02847	14.7
86.00027	0.5
87.00760	3.8
88.98710	0.4
89.02342	18.8
90.55093	0.3
93.03338	0.6
95.01301	2.8
96.95923	2.6
97.02849	1.2
99.00782	3.7
101.02351	14.1
101.92556	0.4
111.00783	0.5
113.02359	11.6
114.02673	0.5
116.92815	0.9
119.03411	0.4
125.02361	2.0
129.01877	0.5
131.03433	6.9
133.02826	0.6
134.03658	0.4
135.04480	0.7
143.03426	0.9
149.04494	1.5
159.02937	1.3
161.02371	1.5
161.04503	2.7
165.30836	0.4
173.04485	0.9
179.03461	0.4
191.05615	5.0
195.06604	1.6
219.06430	0.5
407.33627	0.4
457.36954	1.9
619.42230	1.5
656.63818	0.4
751.46558	100.0
752.46832	25.9
752.60809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.5
58.00477	1.3
59.01268	23.9
60.01555	0.3
61.98724	2.2
70.74099	1.1
71.01274	36.0
72.01617	0.5
72.99207	2.1
73.02840	5.8
75.00784	0.5
78.95813	0.5
79.35967	0.4
81.55556	0.4
83.01279	4.7
85.02849	12.3
86.00000	0.8
87.00769	3.2
88.98702	1.0
89.02341	17.8
93.03323	0.4
94.29086	0.4
95.01329	2.3
96.95935	2.2
97.02863	1.1
99.00776	3.8
101.02355	14.9
111.00813	0.6
113.02374	11.8
113.03164	0.6
115.32113	0.4
116.92714	0.5
125.02388	2.5
131.03433	6.2
134.03653	0.8
137.02417	0.4
143.03424	0.8
145.95482	0.3
149.04520	1.1
159.02911	1.0
161.02394	0.9
161.04520	3.1
165.51686	0.4
173.04390	0.4
174.12573	0.3
177.67389	0.3
189.55678	0.4
191.05591	4.0
195.06621	1.7
209.11781	0.5
275.09641	0.3
364.59851	0.4
374.90732	0.4
457.36966	1.9
458.37482	0.4
601.41071	0.4
619.42157	1.0
660.22412	0.4
751.46594	100.0
752.46906	25.2
811.41559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4145
Annotation	Segetalin E
Peak:m/z	Relative Intensity
57.03341	1.8
58.00483	1.0
59.01266	22.8
60.01602	0.5
60.21223	0.3
61.98716	0.4
67.01772	1.6
68.99689	0.8
69.03348	0.4
70.92949	0.3
71.01273	20.4
72.99200	3.8
73.02836	0.8
75.00763	4.5
78.95779	0.9
83.01263	1.9
85.02346	0.7
85.02848	14.2
86.03151	0.4
87.00787	1.8
89.02338	13.8
93.03348	1.5
95.01294	5.6
96.95941	0.6
97.02829	0.6
99.00785	5.7
101.02343	2.2
111.00808	3.8
111.04435	0.6
112.01569	0.4
113.02367	14.4
119.04923	1.3
129.01840	0.8
131.03409	1.6
135.04398	0.6
137.02373	0.7
139.00307	4.9
143.04976	2.1
145.02917	0.8
149.04518	0.8
155.03453	0.4
157.01361	1.5
161.02385	0.6
161.04480	0.7
163.04022	0.8
169.15837	0.4
173.04520	1.4
179.03476	0.5
191.05586	4.4
192.05844	0.4
195.06616	0.6
198.60376	0.4
327.08856	0.7
372.61206	0.4
453.30154	1.6
455.31900	3.1
456.32288	0.6
471.31323	1.4
472.31061	0.4
483.31195	1.3
485.32672	1.0
501.32553	0.4
503.33926	6.5
504.34113	1.1
531.33514	1.2
559.32593	0.5
585.34723	0.8
599.35974	3.9
600.36957	0.7
617.37671	1.8
811.41418	100.0
812.41742	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	811.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.8
57.95890	0.4
59.00994	0.8
59.01269	11.4
61.98710	0.9
67.01779	0.9
69.03336	0.8
69.34682	3.2
69.35108	1.7
71.01277	12.3
72.99202	1.6
73.02845	3.5
75.00770	1.3
78.95805	4.9
80.54662	0.5
83.01289	2.7
83.04920	0.9
85.02851	9.2
87.00772	2.7
89.02347	5.0
93.03357	3.9
95.01287	1.1
96.95912	2.9
96.96877	1.8
98.19805	0.9
99.00790	2.5
101.02354	6.2
109.02889	1.3
111.00778	1.1
111.04415	0.9
113.02368	6.4
119.03432	0.7
119.04926	3.4
121.02879	0.8
125.02351	0.8
129.01875	0.8
131.03409	0.8
133.02855	0.9
134.03648	1.4
135.04404	2.6
137.02388	2.0
139.00322	0.8
145.02895	1.2
150.23695	0.5
152.01080	0.6
153.01942	0.7
155.03448	1.2
160.01595	0.5
161.02380	1.6
161.04494	0.8
163.03983	2.4
173.04482	3.6
175.02530	0.6
175.03951	0.8
176.01126	0.7
177.01945	0.7
179.03461	1.6
185.61781	0.6
191.03741	1.1
191.05557	8.9
192.05959	1.0
193.05061	1.8
195.06596	0.9
200.04739	0.5
211.45447	0.5
255.03059	1.1
283.02496	1.1
301.03690	1.1
327.08731	0.8
487.34415	3.5
488.34637	1.1
503.34152	1.3
513.39563	0.5
649.39557	3.6
650.40424	0.8
722.53076	0.5
790.40088	0.5
811.44861	100.0
812.45160	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	2.4
58.00484	1.4
59.01266	23.6
61.98708	1.7
67.01770	1.6
68.99696	0.9
71.01271	21.2
71.01668	1.1
71.11334	1.0
72.01646	0.5
72.99201	4.7
73.02826	1.1
75.00771	4.2
78.95786	1.8
83.01273	2.3
83.04932	0.5
85.02847	13.5
86.03160	0.5
87.00794	3.1
89.02340	13.9
93.03355	3.9
95.01282	5.8
96.95908	4.4
96.96862	0.8
96.99213	0.5
97.02853	0.7
99.00780	5.8
101.02353	4.0
106.25452	0.5
109.02864	0.9
111.00802	5.0
111.04397	1.2
113.02356	12.9
116.81799	0.4
117.03372	0.6
118.48833	0.5
119.04963	2.3
121.02859	0.6
129.01819	0.7
131.03409	1.9
133.02826	0.6
134.03636	1.9
135.04463	1.3
137.02359	1.4
139.00334	5.1
144.52458	0.6
145.02873	1.2
149.02396	0.6
149.04518	0.7
150.03130	1.7
153.19421	0.5
155.03459	0.8
157.01401	1.0
160.01643	0.7
161.02319	0.8
163.03963	2.8
165.05521	1.2
173.04527	2.7
179.03458	0.8
181.04947	0.6
191.05609	12.3
192.05927	0.9
193.05042	1.9
195.06531	1.7
197.36139	0.4
197.45132	0.4
211.07722	0.6
237.09155	0.7
265.08649	1.2
267.06812	0.5
285.04135	0.4
285.07928	0.8
301.10690	0.5
327.08865	3.5
328.09396	0.6
379.39639	0.4
391.19000	0.4
417.15576	0.6
453.30096	1.9
455.31796	2.5
471.31433	1.5
483.31329	1.6
485.32693	1.5
503.33865	6.8
504.34293	1.4
531.33331	1.4
565.20880	0.6
585.34052	0.6
599.36041	3.7
613.22559	2.1
617.37012	1.7
811.41412	100.0
812.41864	23.8
812.57196	0.8
813.24902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4142
Annotation	Segetalin E
Peak:m/z	Relative Intensity
57.03340	1.8
58.00480	1.2
59.01264	20.1
60.99187	0.5
61.98716	0.8
63.19281	0.2
67.01767	1.0
68.99696	1.3
69.03340	0.5
69.90310	0.2
70.62305	0.8
71.01269	18.9
72.99196	4.1
73.02808	0.9
75.00759	4.4
78.95798	0.3
83.01275	3.1
83.04929	0.4
84.02036	0.2
85.02843	14.0
86.50423	0.2
87.00780	2.0
89.02338	14.4
92.72015	0.2
93.03365	0.4
95.00726	0.4
95.01291	6.7
96.01591	0.3
96.95904	1.7
97.02834	0.8
99.00784	4.8
99.04448	0.2
101.02361	2.4
102.89102	0.2
108.02070	0.2
109.02769	0.2
109.06423	0.2
111.00076	0.4
111.00790	5.8
111.04501	0.3
112.01631	1.2
113.02359	13.3
114.02679	0.4
116.92764	0.5
117.92772	0.5
118.96819	0.3
123.04428	0.3
129.01849	1.1
131.03432	2.1
133.02847	0.6
135.04475	0.5
137.02397	0.5
139.00310	4.8
149.04500	0.7
155.03410	0.3
157.01396	1.1
161.02397	1.4
175.02399	0.3
179.03358	0.3
183.91098	0.2
191.05577	1.1
201.01675	0.2
226.72464	0.2
271.02420	0.7
299.01984	1.0
300.02661	0.3
313.03821	1.3
315.04974	0.3
345.85764	0.3
353.09070	0.3
379.30219	0.4
391.30060	1.0
393.31696	0.9
407.29166	0.3
409.31180	1.7
411.32712	0.3
418.41724	0.3
421.31543	0.3
439.32275	0.8
453.29697	0.4
455.31342	0.3
471.31152	1.1
483.31085	0.7
503.33923	2.1
504.33768	0.3
619.34833	0.3
810.39520	0.4
811.41370	100.0
812.41736	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	811.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	2.0
58.00460	1.3
59.01265	19.1
61.98690	0.3
67.01759	0.8
68.99681	0.8
69.03329	0.3
70.02843	0.3
71.01268	16.6
71.55714	0.4
72.01592	0.3
72.99201	3.1
73.02822	1.0
75.00767	2.2
78.95786	1.0
83.01288	2.0
84.02066	0.4
85.02844	10.5
87.00777	1.7
89.02337	11.0
93.03352	1.0
95.01291	4.6
96.95899	1.4
97.02871	0.6
98.95476	0.4
99.00774	4.3
101.02347	1.8
109.02876	0.4
111.00793	3.2
112.01595	0.4
113.02360	9.8
118.55299	0.3
119.03426	0.4
119.04912	0.6
125.02398	0.4
127.03927	0.4
129.01862	0.9
131.03384	1.1
133.02849	1.0
134.03632	0.3
135.04457	2.5
139.00310	3.9
148.05197	0.5
149.02377	0.4
149.04475	0.6
151.00298	0.9
157.01334	1.0
161.02364	2.5
162.02856	0.4
163.04013	0.6
163.07558	0.8
165.05508	0.3
173.04550	0.7
178.99788	0.6
179.03448	1.4
179.07050	0.3
180.04082	0.5
191.05580	3.1
191.31619	0.4
195.06534	0.9
201.55481	0.3
271.02545	1.0
299.02048	2.0
300.02524	0.6
301.03613	2.2
313.03946	0.4
339.04968	0.3
346.64001	0.3
353.08655	0.5
356.70270	0.3
384.19794	0.3
453.30045	1.4
454.30341	0.4
455.31870	2.1
471.31177	1.6
483.31256	1.0
485.33163	1.6
501.32349	0.6
503.33844	8.0
504.34222	1.3
518.36505	0.4
531.33331	1.7
559.32935	0.4
585.34167	0.6
599.36072	4.4
600.36261	1.0
617.37054	2.7
618.38226	0.5
811.41388	100.0
812.41724	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	811.4149
Annotation	Segetalin E
Peak:m/z	Relative Intensity
57.03350	2.4
58.00484	1.4
59.01266	23.6
61.98708	1.7
67.01770	1.6
68.99696	0.9
71.01271	21.2
71.01668	1.1
71.11334	1.0
72.01646	0.5
72.99201	4.7
73.02826	1.1
75.00771	4.2
78.95786	1.8
83.01273	2.3
83.04932	0.5
85.02847	13.5
86.03160	0.5
87.00794	3.1
89.02340	13.9
93.03355	3.9
95.01282	5.8
96.95908	4.4
96.96862	0.8
96.99213	0.5
97.02853	0.7
99.00780	5.8
101.02353	4.0
106.25452	0.5
109.02864	0.9
111.00802	5.0
111.04397	1.2
113.02356	12.9
116.81799	0.4
117.03372	0.6
118.48833	0.5
119.04963	2.3
121.02859	0.6
129.01819	0.7
131.03409	1.9
133.02826	0.6
134.03636	1.9
135.04463	1.3
137.02359	1.4
139.00334	5.1
144.52458	0.6
145.02873	1.2
149.02396	0.6
149.04518	0.7
150.03130	1.7
153.19421	0.5
155.03459	0.8
157.01401	1.0
160.01643	0.7
161.02319	0.8
163.03963	2.8
165.05521	1.2
173.04527	2.7
179.03458	0.8
181.04947	0.6
191.05609	12.3
192.05927	0.9
193.05042	1.9
195.06531	1.7
197.36139	0.4
197.45132	0.4
211.07722	0.6
237.09155	0.7
265.08649	1.2
267.06812	0.5
285.04135	0.4
285.07928	0.8
301.10690	0.5
327.08865	3.5
328.09396	0.6
379.39639	0.4
391.19000	0.4
417.15576	0.6
453.30096	1.9
455.31796	2.5
471.31433	1.5
483.31329	1.6
485.32693	1.5
503.33865	6.8
504.34293	1.4
531.33331	1.4
565.20880	0.6
585.34052	0.6
599.36041	3.7
613.22559	2.1
617.37012	1.7
811.41412	100.0
812.41864	23.8
812.57196	0.8
813.24902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.4
61.98708	1.3
63.02284	1.1
65.00217	2.0
67.82855	0.5
71.01246	0.6
71.58355	0.6
71.58796	0.7
78.95792	1.0
83.01286	1.3
85.02878	0.9
85.99679	0.5
87.00734	0.6
93.03365	1.3
96.36400	0.5
96.95909	1.7
107.01306	3.6
117.03333	0.6
121.02895	0.7
123.00807	0.7
124.01579	0.7
125.02357	1.7
133.02873	1.6
135.04410	1.4
137.02330	0.9
143.04880	0.6
144.63409	0.5
145.02824	1.2
147.00871	0.7
147.04478	1.0
149.02419	0.7
151.00307	11.4
152.00908	1.0
152.99504	0.8
155.04922	1.3
157.02907	0.7
158.03696	1.9
158.81865	0.5
159.04311	1.1
161.02405	5.2
163.03973	0.9
165.01797	0.6
169.01401	1.6
170.03682	1.1
171.04446	2.3
172.01628	1.0
173.04524	1.0
174.03198	1.0
175.04004	1.4
177.01855	0.9
178.99825	7.6
179.03427	1.0
183.04507	2.4
185.02373	1.4
186.03188	6.3
187.03912	0.9
189.01862	3.8
190.02686	0.6
190.99837	1.1
191.03445	0.7
191.05577	4.0
192.00583	0.9
192.05992	0.5
193.01395	1.7
198.03162	1.3
199.03979	6.7
201.01927	1.6
203.03506	1.2
205.01407	1.0
211.03973	0.6
213.01933	0.7
214.02705	12.0
215.03479	3.6
216.00659	1.1
217.01344	1.5
218.02167	1.6
227.03505	5.2
229.01439	1.1
231.03052	1.5
241.01439	43.4
242.02199	20.3
243.02982	12.9
245.00938	34.1
246.01311	2.4
253.09018	0.6
254.02242	0.6
255.03033	8.1
256.03452	0.9
267.03104	0.7
269.04630	0.9
270.01749	68.0
271.02505	58.4
272.02908	5.4
273.00522	1.7
273.03568	0.5
274.01373	0.6
282.01724	1.7
283.02591	2.5
284.02872	0.6
285.04111	1.6
295.02609	1.3
298.01239	33.0
299.02020	100.0
300.02533	11.2
301.03586	2.1
309.04105	1.5
311.01941	1.6
312.02655	0.7
313.03690	2.9
323.01843	0.5
324.02271	0.5
341.02966	3.3
364.06253	0.9
365.06607	1.8
487.21234	1.0
499.11136	1.5
503.20892	11.6
504.21365	2.5
508.71262	0.6
579.13440	1.3
607.13177	96.5
608.13495	14.3
737.05621	0.6
811.31995	53.3
812.32391	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	811.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.6
61.98725	0.7
63.02282	1.5
65.00204	3.5
69.46542	2.8
71.01263	0.5
78.95790	0.4
82.05819	0.3
83.01270	2.2
83.82507	0.3
85.02832	0.4
87.00773	0.3
89.91930	0.3
93.03360	0.7
93.72139	0.3
95.01300	0.5
96.71032	0.3
96.95915	0.4
106.93687	0.3
107.01292	5.4
109.02868	1.1
117.03353	0.5
119.05000	0.4
121.02875	1.0
123.00757	0.8
124.01616	1.0
125.02358	1.6
131.04956	0.4
133.02896	1.7
135.00774	0.5
135.04460	0.9
137.02367	0.4
143.04964	0.6
145.02882	0.9
147.00851	0.5
147.04446	0.8
148.01579	0.9
149.02356	0.7
151.00304	16.9
152.00940	1.2
153.01884	0.5
155.04953	1.1
157.02873	0.6
157.24951	0.4
158.03682	1.3
159.00810	0.4
159.04442	0.6
161.02422	3.3
162.02695	0.4
163.00310	1.9
164.01106	0.8
165.01904	0.4
167.05063	0.4
169.01392	1.9
169.02605	0.4
170.03682	0.5
171.04456	1.6
172.01585	0.7
173.02402	0.8
173.04565	0.7
175.03970	1.3
177.01938	0.9
178.99817	7.7
179.03456	0.6
183.04460	2.1
185.02422	1.1
186.03201	3.0
187.03955	1.4
189.01921	2.6
190.02667	0.5
190.99863	0.6
191.03554	0.6
191.05608	1.3
192.00586	1.2
192.71298	0.3
193.01372	1.5
197.02455	0.5
198.03191	0.9
199.03986	6.8
200.04393	0.6
201.01910	1.4
203.03514	1.3
205.01492	0.5
206.02098	0.4
211.03891	1.6
212.04636	0.4
213.01962	1.1
214.02681	6.8
215.03441	3.1
215.30431	0.4
216.00714	1.2
217.01381	1.6
217.05081	0.5
218.02203	1.1
225.05463	0.4
226.02715	0.9
227.03461	6.3
228.03914	0.6
229.01416	1.1
229.05119	0.7
231.03029	1.1
239.03496	0.5
241.01448	23.4
242.02185	13.3
242.04692	0.8
243.02982	12.3
244.03368	1.1
245.00932	18.6
245.04492	0.6
246.01337	1.3
253.01601	0.7
254.02089	1.1
255.03021	9.7
256.03616	1.1
257.04361	0.4
259.02560	0.4
267.03125	0.4
269.00912	0.4
269.04529	0.8
270.01746	41.0
271.02512	49.0
272.02966	3.2
273.00443	1.2
273.04062	1.0
281.01059	0.6
282.01770	1.2
283.02509	2.9
284.03235	1.9
285.04120	2.4
287.02002	0.5
295.02597	0.8
295.05908	0.3
297.04074	1.1
298.01233	20.4
299.02020	100.0
300.02646	21.2
301.03568	17.5
302.03967	1.0
311.02045	1.7
313.03616	2.7
317.03244	0.4
321.07706	0.5
341.03064	2.4
379.24930	1.7
446.21390	0.4
447.21616	1.2
459.22238	0.8
485.19824	0.9
503.20828	8.6
504.21338	0.9
579.13275	0.7
607.13190	51.1
608.13525	6.9
811.32001	71.5
812.32379	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.1
61.98706	2.2
63.02276	1.9
65.00217	2.2
70.05522	4.3
71.01248	1.0
77.13937	0.7
78.95789	1.4
79.01876	0.8
83.01285	1.7
85.02836	0.9
93.03362	1.4
95.01256	0.8
96.95893	3.5
101.03854	1.0
107.01287	4.0
121.02826	1.0
125.02402	1.2
128.61322	0.7
133.02832	1.9
135.04402	0.9
137.02420	0.9
145.02902	1.8
147.00824	1.1
149.02342	1.2
151.00307	13.4
152.01016	1.7
157.02870	0.9
158.03629	2.3
159.04454	0.9
161.02380	5.7
163.03987	0.9
169.01355	1.8
171.04425	1.7
172.01611	0.8
177.01926	0.9
178.99835	7.8
179.03470	1.0
183.04507	1.6
186.03236	4.4
187.03894	1.3
189.01918	3.6
191.05542	3.3
193.01370	3.5
198.03221	1.9
199.03970	6.4
200.04443	0.9
201.01874	2.1
202.02635	0.9
203.03444	1.0
211.03902	1.2
213.01851	1.0
214.02690	12.8
214.99753	0.8
215.03383	3.1
216.00587	1.9
217.01385	2.0
218.02167	1.7
227.03560	4.9
229.01289	1.0
231.03012	1.5
239.03621	1.2
241.01439	41.4
242.02176	19.2
243.02997	12.4
244.03549	0.8
245.00948	34.9
246.01207	2.5
255.02965	7.2
270.01755	67.2
271.02509	55.7
271.05518	1.7
272.02853	4.4
273.00461	1.8
274.01306	1.8
282.01724	1.9
283.02441	2.3
285.04141	1.4
295.02484	0.8
297.04236	1.1
298.01260	31.7
299.02020	100.0
300.02551	13.2
301.03329	1.1
309.04227	1.8
311.02026	1.3
313.03488	2.9
341.03015	2.6
363.08945	2.0
364.06088	1.1
365.06616	3.1
475.48227	0.9
485.19986	0.8
487.21185	2.8
499.11151	1.7
503.20868	18.8
504.21194	2.2
504.87469	0.9
607.13190	94.3
608.13666	13.8
811.31952	57.1
812.32190	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	809.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.6
59.00998	0.1
59.01271	1.7
65.00210	0.4
71.01271	0.5
71.56560	0.1
71.56958	0.1
79.09746	0.1
85.02866	0.3
89.02338	0.3
89.03857	0.1
91.01788	1.9
93.03364	4.3
95.01260	0.1
96.95921	0.2
96.99216	3.8
97.99584	0.1
99.04453	0.5
101.02341	0.4
106.04147	0.2
108.02081	1.0
109.02865	0.3
111.00781	0.3
111.04411	0.2
113.02339	0.1
115.00364	0.1
117.03379	0.9
119.04951	7.2
120.05267	0.3
121.02875	0.3
123.00787	0.2
123.04443	6.2
124.01579	0.5
124.04768	0.2
125.02393	0.2
130.04193	0.4
131.04945	1.3
132.02084	0.2
132.05739	0.2
133.02896	1.4
134.03670	6.7
135.00827	0.2
135.04373	0.3
135.89374	0.1
137.02382	0.6
139.04002	0.1
143.04967	7.4
144.05309	0.3
145.01814	0.2
145.02895	2.1
145.06490	0.1
146.03688	2.8
147.04480	0.7
148.01601	0.4
148.05255	0.7
149.05992	0.9
150.03145	0.3
153.05511	0.3
155.03409	0.1
158.03691	2.4
159.04480	3.9
160.01614	0.5
160.04890	0.2
161.02414	0.2
161.04628	0.1
161.06020	1.5
162.03122	0.1
163.03961	6.1
164.04285	0.2
167.03430	0.4
171.04459	0.5
172.00729	0.1
173.04533	0.4
173.06024	2.4
174.03276	0.5
174.06403	0.2
175.03970	0.7
177.01895	0.2
177.05496	0.1
178.02699	0.9
179.03517	0.1
187.03978	0.8
189.05568	0.3
191.05602	1.4
192.05965	0.1
193.05037	3.9
194.05313	0.2
195.06606	0.2
203.03506	0.1
207.06657	0.1
211.07407	0.1
212.17395	0.1
215.03351	0.1
226.06367	1.9
227.06699	0.1
233.04503	0.2
234.06853	0.1
235.07539	0.5
236.08186	0.2
237.05620	0.2
238.06302	0.3
239.07310	0.2
241.08737	2.3
242.09322	0.1
249.09366	0.1
250.06392	0.9
251.07172	9.7
252.07893	4.7
253.08708	2.8
254.09474	1.9
262.06354	0.2
263.07147	0.7
265.08771	1.2
267.10345	1.0
269.12006	0.1
278.06119	0.2
279.06696	3.3
280.07471	10.7
281.07813	0.9
294.05179	0.1
295.09824	10.2
296.10181	1.0
311.09073	0.2
313.10886	0.7
324.06473	1.7
325.06912	0.1
339.08820	3.6
340.09094	0.4
340.13153	0.1
345.15384	0.1
353.06439	0.1
357.09869	100.0
358.10220	10.2
358.14981	0.2
373.18652	0.2
373.73355	0.1
391.16068	0.4
445.75482	0.1
451.12503	0.4
483.20975	0.1
546.84637	0.1
547.37103	0.1
617.17932	0.1
689.79297	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	809.4354
Annotation	Ilekudinoside J
Peak:m/z	Relative Intensity
57.03315	1.0
58.00486	1.2
59.01270	20.4
59.65879	0.6
60.99178	0.7
61.98731	4.6
71.01275	18.6
71.01668	1.2
71.60424	1.0
72.99186	2.0
73.02847	3.5
75.00761	1.6
78.95714	0.6
80.60767	0.5
83.01272	2.1
85.02853	7.5
85.29773	0.6
87.00776	2.2
87.24881	0.5
88.98695	0.8
89.02349	10.9
93.03369	1.3
95.01273	2.2
96.95908	2.1
99.00793	3.3
101.02362	10.6
105.01815	1.1
113.02367	8.2
119.03414	5.4
125.02367	0.8
131.03450	0.6
133.02873	1.7
134.03645	0.7
135.04466	1.2
143.03485	1.0
149.04430	0.6
152.01152	0.8
161.02411	6.0
161.04503	1.8
167.03465	1.4
173.04533	0.9
179.03487	1.2
179.05573	4.2
191.05608	3.1
209.11871	0.9
439.32239	1.1
471.34940	0.7
485.32919	3.4
553.35541	0.6
603.79901	0.6
629.36749	1.4
641.29938	1.8
647.38110	2.8
648.38782	0.7
677.22455	0.6
773.33270	0.7
809.43518	100.0
810.43842	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	809.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.2
58.00472	1.9
59.01266	21.6
61.98720	9.9
64.76292	1.0
68.99705	1.7
71.00893	1.6
71.01272	22.1
71.57786	1.6
72.99181	2.1
73.02816	2.1
75.00755	10.0
78.31602	0.9
80.51302	0.9
83.01269	2.7
85.02850	14.8
87.00777	5.1
88.98692	3.3
89.02332	10.6
93.03338	2.2
95.01305	5.3
96.95912	7.8
99.00787	15.6
101.02353	9.5
109.02850	1.1
113.02367	12.2
116.92759	5.9
119.03450	2.3
134.03687	1.0
135.04446	2.2
135.39375	1.0
137.02411	1.0
157.01358	2.8
159.04376	1.1
161.02361	1.3
161.04602	1.4
173.04568	1.0
191.05635	5.2
209.11723	1.1
246.51538	0.8
251.24472	1.0
329.17499	1.5
331.19174	2.8
343.83667	1.0
347.18716	0.9
437.30484	1.4
439.32526	2.3
469.33527	1.8
471.34756	3.5
585.38324	1.4
603.39252	1.5
629.37390	4.2
749.43195	1.0
809.43494	100.0
810.43951	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	807.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.1
61.44993	0.1
61.98717	0.2
69.03330	0.1
69.55930	0.4
69.56361	0.2
71.01271	0.1
73.02837	0.6
81.03365	0.1
92.89310	0.1
97.93037	0.1
99.92484	8.3
100.92501	0.4
111.04435	0.2
113.53185	0.1
114.93353	0.5
116.92776	100.0
117.01852	0.6
117.92783	5.3
122.67081	0.1
125.02367	0.4
151.07600	1.7
191.05560	0.1
195.06609	5.6
196.06982	0.4
201.04097	0.2
215.07169	0.1
261.06100	0.1
295.55466	0.1
296.78192	0.1
306.12662	0.1
329.17822	0.1
331.19321	0.9
347.18649	0.1
357.11951	0.6
689.31891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.2
59.01257	2.7
61.98735	0.2
64.11938	0.2
69.03333	0.7
71.01264	1.3
71.60577	0.2
71.60995	0.2
73.02828	0.3
75.00763	0.4
79.77119	0.2
80.72961	0.2
80.73470	0.2
81.03349	1.0
83.01271	0.3
85.02847	1.9
87.00767	0.3
89.02318	0.2
93.03329	0.4
95.01315	0.2
95.04921	0.4
97.02853	9.3
97.06486	0.6
98.03183	0.2
99.04404	0.3
101.02332	0.9
107.04924	0.3
108.02034	0.3
109.02843	0.7
109.06461	0.2
111.00775	0.3
113.02364	2.3
116.76396	0.2
119.04906	0.5
121.02810	0.3
121.06530	0.3
122.03663	2.6
123.04417	0.2
125.02396	0.9
126.58482	0.2
127.07581	3.1
133.10135	0.3
135.04405	0.5
135.08090	0.4
143.03400	0.3
145.06520	0.4
147.04407	0.3
147.08105	0.4
148.05238	1.4
149.05663	0.4
159.08020	0.8
161.09706	1.3
163.03815	0.2
163.11162	0.2
165.05472	0.2
165.09174	0.3
166.02603	0.4
171.08147	0.3
173.09683	1.2
175.11214	0.2
177.09204	0.2
178.05000	0.7
179.10736	0.2
181.05008	0.4
187.07567	0.2
187.11244	1.4
189.05536	0.6
189.12827	24.3
190.05040	0.3
190.13184	1.6
191.05537	0.7
191.07108	6.6
195.06659	0.2
201.04001	1.1
203.14388	0.9
205.08696	18.8
206.09055	1.4
207.10220	1.7
213.05434	0.2
215.07182	0.3
221.08148	0.6
221.15569	0.4
243.13985	1.1
253.15923	0.3
261.06189	0.7
267.17688	0.2
269.19147	4.1
283.17029	1.4
285.18747	0.6
287.20142	0.5
295.17004	0.4
297.10104	0.5
306.12711	0.5
311.20300	0.3
312.12488	3.4
313.18164	100.0
314.18515	10.1
331.19223	41.6
332.19559	4.4
355.19250	1.2
356.19675	0.2
362.75189	0.2
373.20203	1.2
385.20251	0.3
386.55859	0.2
427.21530	0.6
457.97595	0.2
501.18719	0.3
519.20062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.6
69.03344	3.2
71.04922	0.7
71.48415	0.7
71.48744	0.8
78.95820	0.7
81.96172	0.6
83.04910	1.7
83.99189	0.6
85.29392	0.5
90.97884	0.6
99.04420	32.4
99.08049	0.7
100.04768	1.4
101.05986	30.6
102.06329	0.8
124.83969	0.6
171.10190	1.4
188.29213	0.6
211.13354	1.7
251.16539	1.1
253.09364	1.1
274.36972	0.6
275.23907	4.8
277.21823	8.6
278.22083	1.7
284.33069	0.7
291.19730	3.7
301.21811	23.4
302.22150	3.7
309.20792	0.8
319.22769	5.7
353.10907	0.6
401.27051	79.2
402.27371	17.0
403.28592	100.0
404.28940	14.2
501.32257	1.0
678.31024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.1
59.01271	1.0
59.69354	0.1
61.98715	0.5
69.03351	0.2
70.57879	0.3
71.01286	0.5
73.02826	0.5
75.43050	0.1
78.73378	0.1
81.03347	0.3
83.01281	0.2
85.02857	0.4
87.00764	0.2
89.02341	0.2
93.03365	0.1
95.01301	0.2
95.04892	0.1
95.78013	0.1
96.95919	0.1
97.02914	0.2
99.00784	0.2
99.92488	7.9
100.92484	0.4
101.02364	0.2
109.02891	0.1
111.00789	0.2
111.04425	0.2
113.02313	0.2
114.93350	0.5
116.92777	100.0
117.01859	0.7
117.92788	5.6
119.04947	0.2
121.02931	0.1
121.15694	0.1
125.02374	0.8
129.01970	0.1
135.04408	0.1
141.01849	0.1
147.04364	0.1
148.05254	0.2
151.00333	0.1
151.07599	1.4
161.06027	0.1
163.11142	0.1
173.04581	0.1
173.06003	0.1
178.05072	0.2
179.03479	0.1
186.06758	0.1
187.03972	0.1
187.07599	0.3
188.04764	0.1
189.09174	0.2
191.05635	0.3
191.07158	0.3
195.06615	6.1
196.06995	0.2
201.04047	0.7
205.08592	0.2
213.05513	0.1
215.07126	0.5
229.05238	0.1
253.01326	0.1
261.06219	0.7
277.08646	0.2
305.11893	0.2
306.12775	0.5
307.13104	0.1
312.12415	0.6
313.12674	0.3
331.13306	0.1
331.19232	1.6
332.19601	0.3
350.68845	0.1
357.12015	0.8
359.06229	0.1
359.13080	0.2
360.13641	0.3
373.61008	0.1
379.35376	0.1
381.60413	0.1
461.45404	0.1
501.19238	0.1
689.31940	0.3
737.80170	0.1
740.84467	0.2
787.40784	0.1
789.24500	0.2
806.35620	0.1
806.85815	0.7
807.35834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00503	0.4
59.00991	0.7
59.01265	10.1
67.01775	0.7
69.03349	0.7
69.56425	2.1
69.56830	0.9
71.01273	7.9
72.99201	1.3
73.02836	1.4
81.03372	0.5
83.01302	0.7
85.02848	4.0
87.00748	0.8
89.02336	4.8
93.03348	2.4
95.01290	1.6
95.21589	0.4
96.95911	1.1
97.02834	0.8
99.00790	1.3
101.02354	4.2
108.02080	65.1
109.02905	10.7
111.04385	0.4
113.02359	3.1
119.03456	1.9
119.04939	1.3
121.02855	1.4
123.00787	1.3
123.04430	0.6
125.02379	0.6
133.02908	0.7
134.03661	1.0
135.04439	1.8
137.02371	4.0
145.02907	0.5
149.02361	0.7
151.00311	1.2
151.03954	1.3
152.01094	100.0
153.01843	5.7
161.02341	1.1
161.04510	1.1
163.03957	4.4
164.04468	0.6
165.01891	22.7
166.02654	4.2
173.04517	1.2
175.04031	0.9
177.01926	1.7
179.03461	5.0
180.04242	14.2
181.05032	5.0
187.03998	0.5
191.05591	6.3
192.04245	0.6
194.05713	0.5
195.02948	0.7
195.04803	0.9
195.06610	17.7
195.13782	2.5
196.06995	0.7
207.02913	0.6
207.06607	0.6
210.05298	3.1
213.14914	1.1
225.07695	24.7
226.08051	1.2
255.02863	0.4
271.08005	0.6
297.06219	0.5
315.07346	1.3
375.20303	3.6
376.20691	0.5
387.10544	0.6
387.14819	0.9
402.13351	0.7
403.12924	0.5
417.15723	6.3
418.15857	0.6
429.10397	6.2
447.11304	2.0
481.10693	0.5
595.21771	1.0
643.24298	4.5
644.24524	0.7
805.31555	78.4
806.31909	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	805.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34482	0.2
57.03310	0.3
59.01263	2.3
65.24448	0.2
69.03345	0.2
71.01266	2.7
71.58049	0.3
72.99187	0.3
73.02843	0.3
78.95795	0.8
80.96405	0.3
82.95312	1.3
83.01310	0.3
83.04919	0.3
85.02836	1.0
87.00784	0.5
89.02323	1.8
90.01100	0.2
97.06458	0.2
99.04406	0.2
101.02350	2.7
111.08098	0.4
113.02373	1.4
113.09649	0.3
114.02779	0.2
119.03423	0.5
125.09669	0.2
130.21082	0.2
143.03467	0.2
152.99512	0.3
161.04469	1.3
167.10649	0.3
171.10251	0.3
179.05559	0.4
179.10692	0.2
179.14384	0.8
186.68352	0.2
191.05537	0.2
195.13879	8.0
196.14430	0.7
205.12323	0.8
205.15959	0.5
209.11850	0.3
211.13361	0.4
223.13405	5.5
224.13675	0.3
228.13640	0.7
231.21124	0.3
235.08217	0.7
249.22247	0.2
253.09331	15.8
254.09637	1.0
255.23341	4.6
256.13153	1.1
256.23672	0.4
265.21823	0.4
269.24805	0.3
275.20236	5.5
276.20560	0.6
293.21298	100.0
294.21646	8.7
297.24277	0.4
387.25446	0.7
417.26514	0.6
424.82590	0.2
492.21991	0.3
529.30383	1.3
569.42261	1.6
570.42645	0.3
655.32678	0.2
655.44165	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81896	1.0
57.03337	2.2
58.00481	4.1
59.01266	83.5
60.01614	1.9
61.98704	1.8
67.01778	2.2
69.42878	3.3
69.43286	7.3
71.01270	75.9
72.01604	1.8
72.99191	8.7
73.02836	3.2
75.00768	1.2
78.95801	11.5
83.01280	3.4
85.02846	18.4
85.43612	1.1
87.00778	6.6
89.02338	100.0
93.03364	13.0
94.03680	1.4
95.01292	4.3
96.95917	6.4
96.96861	7.7
99.00806	1.5
101.02356	38.3
101.80045	1.3
109.02850	3.1
111.04456	2.8
113.02359	29.7
119.03431	43.6
119.04938	5.1
120.83600	1.0
121.02911	1.5
122.03635	1.4
123.04374	1.2
127.03951	1.6
129.01830	1.4
131.03450	6.4
131.27686	1.1
132.02087	1.2
133.02864	3.2
134.03673	4.6
135.04468	7.1
136.01584	4.1
137.02397	8.2
140.02487	1.2
143.03450	8.7
145.02908	5.2
146.03651	1.3
147.04425	2.5
149.02446	2.5
149.04475	3.1
149.06046	1.1
150.03188	9.2
151.00269	2.7
151.03908	4.2
155.03439	1.8
160.01616	2.8
161.02464	6.0
161.04518	11.6
162.03189	52.1
163.03958	5.5
165.01895	24.7
165.05545	8.8
166.02650	4.5
173.04520	8.6
175.04028	1.8
177.01917	2.8
177.05534	43.8
178.02725	2.1
178.05852	2.6
179.03490	7.3
179.05580	47.0
179.07152	2.8
180.04295	15.7
180.05832	1.9
181.05003	5.0
187.07513	1.2
190.06369	1.0
191.05589	60.8
192.05899	2.0
193.05038	3.7
194.05743	1.8
195.06633	24.9
196.07010	1.9
198.31174	1.1
210.05348	1.6
211.07722	1.2
225.05664	2.4
225.07664	10.1
233.09433	6.2
237.05562	2.4
238.06332	2.0
251.07166	1.4
252.07999	2.7
253.05003	1.4
253.08696	2.5
255.03094	1.8
267.06992	1.6
268.07446	6.4
280.07504	1.6
283.09787	9.7
295.06064	1.7
296.07047	1.8
297.07718	2.0
299.09467	1.4
301.10941	1.3
308.06943	3.2
309.07742	3.5
311.09341	2.8
312.06461	5.7
323.09344	5.0
324.06381	3.2
324.10141	3.7
327.08786	10.2
328.09253	1.7
338.11533	2.0
339.08862	19.2
339.12469	1.9
340.09045	1.7
342.11197	11.4
354.11295	7.4
357.13562	30.8
358.13910	3.5
369.13525	44.6
370.14075	4.0
387.14642	2.1
409.13077	1.3
411.27475	1.4
417.15634	6.1
583.21808	2.6
595.22015	7.7
596.22095	1.6
613.19012	2.0
643.23840	6.3
644.24371	1.8
745.26575	2.9
787.24725	7.8
805.33350	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.7
61.98704	0.5
67.01791	1.0
71.01279	1.9
71.17205	0.9
84.02054	0.4
85.02835	2.0
87.00769	0.8
89.02354	0.5
93.03362	2.0
95.01282	0.8
95.04936	0.4
96.95929	1.1
96.96867	0.4
101.02369	0.4
105.01881	0.3
105.81535	0.3
106.42816	0.4
107.04919	0.6
108.02086	0.9
109.02869	4.4
111.00793	0.6
111.04476	0.5
111.99089	0.3
115.94146	0.4
119.04942	1.0
121.02861	1.2
123.00816	1.2
123.04472	0.6
124.01561	0.9
125.02378	0.7
131.04936	0.5
133.02875	0.4
134.03638	0.8
135.04398	1.8
136.01581	1.4
137.02377	24.9
138.02843	0.7
139.00333	0.8
139.03967	1.1
145.02895	0.5
147.04437	0.8
149.02423	1.0
150.03160	2.7
151.00307	10.9
151.03937	4.0
152.01114	2.5
152.04738	3.2
153.01862	1.2
153.05402	0.4
159.04425	0.9
160.05368	0.4
161.02388	1.5
162.03160	3.0
163.03981	1.9
164.01099	2.2
164.04736	0.9
165.01888	100.0
165.05530	4.9
166.02667	37.2
166.18933	0.4
167.03426	3.5
173.02322	0.5
173.04527	1.7
173.97952	0.4
175.03899	2.1
176.01271	0.4
176.04683	0.8
177.01906	2.7
177.05521	4.3
178.02655	1.6
179.03464	22.2
179.07066	1.1
180.04247	63.1
181.05022	44.0
182.05345	2.1
184.03749	1.1
187.04030	1.9
189.05573	0.5
190.02805	0.5
190.06296	0.9
191.03693	1.0
191.05559	9.8
192.04253	2.0
192.05879	0.7
193.05020	2.3
194.05798	5.0
195.02998	3.0
195.06610	86.4
196.06963	4.5
202.06290	0.6
203.03415	0.6
204.04134	0.4
205.05064	5.4
205.08664	0.9
206.05655	0.6
207.06616	2.7
209.08168	1.6
210.05330	12.0
211.05936	1.1
219.06612	1.0
220.07411	4.0
221.08099	1.0
225.07693	72.0
226.08041	4.8
235.09760	0.8
273.92365	0.4
296.06784	0.6
327.08768	0.8
341.10483	0.8
343.12140	1.1
345.09985	0.8
357.09772	0.6
359.11548	2.2
371.11337	0.8
372.12177	1.6
373.12650	0.6
385.12958	0.6
386.13657	1.2
387.10834	5.7
387.14734	6.2
388.11411	1.4
402.13336	4.4
403.13971	2.0
416.14941	4.0
417.15640	59.1
418.15933	6.3
535.16211	0.6
549.18774	0.4
550.18225	0.5
565.17041	2.4
566.18445	0.7
580.19861	1.9
595.22003	57.1
596.22314	11.2
613.23193	1.3
625.23218	1.7
626.23566	0.5
643.24097	38.0
644.24475	9.0
665.39545	0.5
787.24500	0.5
805.25879	1.2
806.27545	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	803.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24294	0.1
69.03341	2.1
70.33788	0.3
70.34144	0.2
71.04912	0.3
81.03340	1.4
86.32475	0.1
97.06502	0.2
99.04417	24.1
100.04749	0.5
115.97283	0.1
154.59210	0.1
179.34531	0.1
185.03682	0.1
240.55177	0.1
273.22287	0.2
275.23813	2.1
276.24234	0.2
301.21786	16.6
302.22110	1.6
319.22849	6.7
320.23123	0.7
325.72705	0.1
354.25436	0.1
401.27029	100.0
402.27380	12.6
681.76300	0.1
733.98846	0.1
749.65277	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.5489
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	0.6
70.05997	1.2
98.19823	0.4
99.04420	27.6
100.04727	0.6
101.72737	0.4
165.12758	0.5
225.18797	0.3
266.22998	0.4
275.23837	1.7
291.79968	0.4
301.21793	16.6
302.22183	2.2
319.22797	2.8
344.10876	0.4
401.27042	100.0
402.27432	11.1
731.55481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.2
61.98719	0.2
69.91965	0.4
70.45877	0.1
71.01269	0.3
73.02823	0.4
81.03367	0.2
82.61216	0.1
85.02853	0.1
87.00790	0.1
99.00780	0.1
99.92483	8.8
100.92525	0.4
100.93127	0.1
109.06493	0.1
111.04436	0.3
113.02370	0.1
114.93330	0.5
115.00310	0.1
116.92772	100.0
117.01845	0.7
117.92779	5.2
122.03601	0.1
123.08090	0.2
125.02372	0.4
151.07579	2.1
152.07904	0.1
159.23706	0.1
161.02408	0.1
191.05624	0.1
191.07214	0.1
195.06610	7.1
196.06938	0.3
205.08745	0.2
329.17621	2.5
330.18246	0.1
357.11929	0.5
449.86786	0.1
685.16974	0.1
687.30255	0.5
688.30975	0.1
732.84332	0.1
787.22467	0.1
805.36810	0.6
805.87714	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01591	1.7
69.03337	3.3
71.01277	23.5
71.04919	2.9
71.58033	1.9
72.99203	3.1
73.02829	9.0
73.71392	1.8
75.00766	11.0
76.69918	1.8
83.01286	2.9
85.02846	18.9
85.06466	2.9
87.00780	5.4
89.02332	7.4
93.03341	2.5
95.01308	3.8
96.95921	4.0
97.06493	35.8
99.00751	9.3
101.02338	14.4
104.02363	2.0
105.51774	1.9
109.07285	1.8
113.02354	17.2
115.07563	50.9
116.08008	2.0
117.01814	2.9
121.02872	42.2
122.03255	2.4
142.10300	2.0
143.03470	3.3
161.04527	10.5
163.04034	2.3
167.10709	8.7
185.11795	26.4
191.05588	15.2
203.05656	2.2
217.48621	1.8
231.05101	4.0
239.06035	2.4
249.06189	27.6
250.06502	2.4
256.47559	2.2
258.03302	1.9
329.16141	52.4
330.16544	3.3
333.80133	1.9
347.17154	10.5
371.09943	67.5
372.10239	7.2
389.18256	34.4
390.18521	3.5
400.95526	2.1
442.32660	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	803.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.4
58.00479	0.3
59.01264	100.0
60.01587	0.9
68.55384	0.2
69.03345	0.3
69.50163	1.7
71.01270	10.3
72.99210	0.7
73.02836	5.9
78.95823	0.2
79.95622	0.2
83.01278	2.0
84.28750	0.2
85.02834	3.2
87.00791	0.3
87.04429	0.8
89.02334	5.0
95.01272	1.1
95.58934	0.2
96.95918	4.3
98.95521	0.8
99.00779	0.4
101.02347	8.9
113.02355	6.1
115.03930	0.5
119.03408	2.1
123.35790	0.2
125.02390	0.5
131.03455	0.7
143.03418	1.9
149.04475	1.4
161.04497	3.6
179.05588	0.9
183.84303	0.2
203.05658	0.4
221.06621	0.5
315.18222	3.8
316.18628	0.4
357.19226	3.1
358.19476	0.3
391.05780	0.7
437.18466	1.1
437.68951	0.5
438.18478	0.3
439.32303	0.7
722.29175	5.1
722.79541	3.0
723.29449	1.2
772.84949	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
59.01268	100.0
60.01609	1.1
61.01697	0.1
67.60484	0.1
69.17930	0.1
70.87905	0.1
71.01273	8.2
71.59503	0.1
72.01625	0.1
72.08605	0.1
72.99218	0.3
73.02839	2.8
75.00793	0.2
83.01274	1.5
85.02844	4.4
87.00793	0.4
89.02328	0.8
89.02760	0.1
93.03366	0.1
95.01299	0.6
96.95918	1.3
97.02864	0.3
99.00774	1.4
99.01350	0.1
101.02348	7.4
102.02721	0.2
104.59584	0.1
111.00771	0.1
112.87376	0.1
113.02359	4.0
114.02669	0.1
119.03368	0.1
119.04872	0.1
125.02367	0.4
129.01859	0.2
131.03445	0.1
133.02910	0.2
135.04469	0.4
143.03427	0.7
145.02972	0.1
153.12798	0.1
159.02953	1.2
161.02376	0.3
161.04507	6.0
162.04881	0.2
173.04463	0.1
178.80585	0.1
179.03474	0.2
188.53693	0.1
191.05635	0.5
205.03490	0.1
216.35030	0.1
221.04453	0.1
221.06516	0.1
223.13571	0.1
271.02554	0.2
297.17090	0.2
299.02057	0.2
300.02554	0.1
303.44861	0.1
314.16956	0.1
315.18195	14.1
316.18561	1.3
339.05453	0.1
353.08957	0.1
357.19272	21.3
358.19592	2.0
358.23969	0.1
359.17105	0.2
401.18320	2.0
402.18546	0.2
437.18512	0.1
437.68823	0.1
572.48999	0.1
803.32489	0.5
803.81934	0.3
804.32166	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
58.00485	0.2
59.01265	100.0
60.01601	0.9
63.37517	0.1
67.87738	0.1
69.03336	0.2
71.01270	11.0
71.59428	0.2
72.01641	0.2
72.99214	0.3
73.02841	4.8
75.00763	0.2
78.95826	0.1
83.01281	1.9
85.02843	4.7
87.00793	0.5
87.51664	0.1
89.02335	2.3
93.03362	0.1
95.01302	0.9
96.95916	0.8
97.02887	0.3
99.00771	1.0
99.01255	0.1
101.02348	8.3
106.24006	0.1
109.02837	0.1
113.02358	4.7
119.03436	0.9
119.04906	0.7
120.05331	0.2
123.04437	0.1
125.02381	0.4
129.01912	0.2
131.03468	0.3
133.02867	0.6
135.04445	2.0
136.04828	0.5
137.02359	0.1
143.03429	0.7
145.02914	0.7
146.03267	0.3
149.04526	0.6
159.02936	0.7
160.03250	0.2
161.02499	1.0
161.04509	4.5
170.98358	0.1
173.04556	0.3
177.01970	0.4
179.03471	0.6
179.05606	0.1
181.05206	0.1
191.05573	1.1
203.05630	0.1
221.06731	0.3
271.02704	0.5
299.02057	1.0
300.02869	0.2
315.18192	8.9
316.18576	0.7
333.91034	0.1
339.05365	0.2
353.08963	0.3
357.19263	6.6
358.19650	0.6
401.18063	0.3
513.10468	0.1
802.34943	0.2
803.35809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
57.69241	0.1
58.00503	0.3
59.01264	100.0
60.01608	1.0
69.65041	0.8
71.01270	11.7
71.14814	0.1
72.99213	0.3
73.02834	3.5
75.00793	0.2
83.01280	1.5
85.02843	6.2
86.03191	0.2
87.00770	0.3
89.02332	2.7
95.01290	0.9
96.95895	0.9
97.02862	0.3
99.00777	1.5
101.02344	6.0
113.02354	5.2
119.03417	0.8
125.02395	0.4
129.01915	0.3
131.03413	0.2
143.03455	0.5
159.02916	0.9
160.59607	0.2
161.04507	3.9
161.05847	0.2
180.15619	0.1
203.05595	0.1
315.18188	7.8
316.18573	0.8
353.18805	0.2
357.19275	3.5
358.19809	0.3
370.23016	0.1
391.05609	0.4
420.13995	0.2
437.18701	0.2
439.32404	0.4
459.24588	0.2
614.28210	0.2
704.01740	0.1
803.31885	0.8
803.82397	0.6
804.32611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.4
58.00484	0.9
58.33103	0.2
59.01265	100.0
60.01605	1.1
63.66902	0.2
69.03343	0.7
69.65448	1.4
70.58354	0.2
71.01272	23.7
72.01608	0.4
72.99197	1.1
73.02837	22.1
74.03152	0.4
75.00776	0.5
81.03357	0.4
83.01279	7.4
84.90289	0.2
85.02849	2.7
87.00771	0.7
89.02338	6.8
94.91486	0.2
95.01282	0.9
96.95914	1.5
97.02844	0.7
99.00805	0.3
99.04394	0.4
101.02347	25.3
102.02671	0.4
113.02359	10.0
114.02720	0.2
119.03419	3.7
125.02363	0.9
131.03430	2.7
131.87605	0.2
143.03438	2.9
148.05199	0.3
149.04507	5.7
155.03418	1.0
161.04498	8.5
161.05847	0.4
162.04770	0.3
166.81830	0.2
168.03802	0.2
179.05583	1.0
191.05521	0.5
203.05602	1.2
220.26782	0.2
221.06668	2.2
312.12372	0.7
315.18158	0.3
357.19199	1.4
474.63550	0.2
691.81805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.8
59.01263	0.7
61.14634	0.2
61.98718	0.6
65.00216	0.6
67.01760	0.2
68.99691	0.2
69.03336	0.2
70.99588	0.2
71.01267	0.7
72.99222	0.2
78.95809	0.2
81.03351	4.7
83.01273	0.9
85.02845	0.2
85.06471	0.8
87.00787	0.2
87.04385	0.6
88.98709	0.2
93.03349	0.8
95.01310	0.3
95.04918	0.5
96.95914	0.8
97.02847	0.7
97.06466	0.2
103.91833	0.2
107.01293	0.7
108.02069	0.2
109.02880	0.4
109.06509	2.3
111.04434	3.9
113.02354	0.3
113.06017	0.3
121.02870	0.3
122.03662	1.8
123.04440	0.6
123.08064	0.3
125.02375	6.7
126.02742	0.2
127.07582	0.5
131.01306	0.2
133.02907	0.2
135.04451	0.5
137.02365	0.4
139.03951	0.5
149.02411	1.5
151.00330	0.9
151.07593	39.1
152.01089	0.4
152.07950	1.7
153.05568	0.3
161.06064	0.2
161.09593	0.2
163.07652	0.2
165.05507	0.7
167.03447	0.4
167.07043	0.2
173.04520	0.4
173.05981	0.2
175.00331	0.4
177.05508	0.6
179.07098	0.9
181.08612	0.2
187.07614	0.4
189.05765	0.2
189.12831	6.1
190.13132	0.5
191.05571	0.6
191.07114	2.4
192.07426	0.2
194.05791	0.3
195.06609	100.0
196.06956	5.5
201.05551	0.3
205.08684	3.9
206.08870	0.2
207.06628	0.8
207.10120	0.3
208.07396	0.2
209.08156	2.5
215.07143	0.2
219.06628	20.3
220.06944	1.2
221.08183	0.5
229.44168	0.3
231.10211	0.2
237.07710	8.2
238.08066	0.4
243.13989	0.2
249.07689	1.5
261.07715	0.3
267.08627	0.3
269.19193	0.7
275.09280	0.4
275.20392	0.2
279.08774	0.3
297.09708	0.3
313.18170	21.2
314.18497	2.3
327.10855	0.7
332.33313	0.2
339.11066	0.2
353.13992	0.2
357.11990	31.8
358.12311	2.4
370.32065	0.2
371.15070	0.2
469.72238	0.2
545.20056	0.2
671.30896	20.1
672.31067	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	801.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00489	0.5
59.01270	5.2
61.98718	13.4
69.03332	0.5
69.42915	2.7
69.43342	1.7
71.01267	4.8
80.02573	1.0
80.96409	2.5
81.03336	0.9
83.01275	0.8
83.04926	3.1
85.02841	0.9
87.00778	1.3
89.02331	3.1
95.04932	0.6
97.02827	0.7
99.04390	0.5
101.02336	3.4
111.04421	0.5
113.02372	1.7
119.03439	0.8
125.09664	1.5
127.11180	1.5
135.08084	0.7
152.35841	0.5
153.09248	0.6
155.10739	0.7
161.04497	1.9
163.11270	2.5
165.09180	0.8
165.12831	1.4
171.10225	1.8
179.05632	0.7
181.12204	0.8
191.05569	2.2
199.09744	0.8
201.11311	35.7
202.11633	1.9
207.10251	0.7
209.11823	85.2
210.12184	5.0
225.11363	0.7
227.12898	11.7
228.13249	0.7
235.08235	7.7
253.09340	12.4
254.09412	0.6
255.53807	0.6
277.21793	100.0
278.22150	10.8
347.13013	0.6
419.19272	1.1
437.20551	2.6
443.31833	1.4
445.20993	3.7
448.76126	0.6
461.32956	1.2
513.30951	3.0
514.31561	0.8
515.33655	0.6
697.41956	1.3
801.37146	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	801.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.5
57.84115	0.1
58.88409	0.1
59.01265	100.0
60.01601	1.5
61.01700	0.3
69.03346	0.3
71.01270	7.8
72.01623	0.2
72.63758	0.1
72.99221	0.1
73.02840	2.9
73.80390	0.1
75.00758	0.3
77.37605	0.1
83.01286	1.1
85.02846	4.1
86.03192	0.2
87.00774	0.4
89.02333	1.0
93.03359	0.2
95.01314	0.8
96.95926	0.5
97.02865	0.3
99.00790	1.3
101.02345	6.1
102.02699	0.2
109.02819	0.2
113.02356	3.8
114.02719	0.2
117.03409	0.3
119.04942	1.6
125.02354	0.3
131.03450	0.1
133.02898	0.5
134.03732	0.2
135.04430	1.4
137.22672	0.1
143.03448	0.5
145.02888	1.3
151.11226	0.4
159.02931	1.0
161.02513	0.7
161.04500	5.0
162.04747	0.2
179.03511	0.5
191.05606	0.5
214.37100	0.1
227.03651	0.2
270.01962	0.2
271.02649	0.4
299.02112	0.5
300.02353	0.3
301.02502	0.1
309.62766	0.1
313.03912	0.3
313.16605	4.7
314.17136	0.6
315.18188	6.7
316.18561	0.6
353.08887	0.2
354.18698	0.1
355.17715	5.7
356.17963	1.0
357.19238	8.1
358.19626	0.6
399.16583	0.2
401.18356	0.7
439.32449	0.2
505.41043	0.2
665.30780	0.2
681.29395	0.2
763.35107	0.1
771.33685	0.2
771.84229	0.3
801.36426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.4
63.02278	2.4
65.00206	4.8
67.01814	0.4
69.40463	2.2
69.40887	1.3
83.01265	3.9
85.02814	0.7
93.03361	1.1
94.22190	0.4
96.57720	0.4
106.49962	0.4
107.01296	10.1
109.02872	3.1
111.00796	0.6
119.01306	1.2
119.04922	0.5
121.02861	0.7
123.04406	1.2
124.01585	0.6
125.02366	1.9
133.02872	1.1
134.03627	0.8
134.85387	0.4
135.00807	0.7
135.04460	0.5
136.01579	5.7
139.00052	0.4
145.02873	0.6
147.00793	3.7
148.01563	1.1
149.02350	0.5
149.99454	0.5
151.00308	34.3
151.03923	0.9
151.47549	0.4
152.01126	2.1
153.01791	0.9
155.04913	0.5
157.02831	0.5
161.02368	1.3
163.00337	2.2
164.01158	0.4
165.01884	0.5
167.03450	1.6
169.01411	2.8
171.04456	1.4
173.02318	0.5
175.03967	1.4
177.01871	0.6
178.99826	24.2
179.03294	2.2
180.00105	1.1
183.04482	1.3
185.02351	0.5
187.00336	0.8
187.03911	1.0
189.01915	0.7
190.99881	0.7
191.05609	2.9
193.05013	1.5
195.02913	1.0
199.03993	4.9
201.01888	1.8
201.05583	0.5
203.03519	0.7
206.99361	1.0
207.03085	0.5
211.03906	0.8
211.08725	0.4
213.01843	0.6
215.03435	1.2
222.01735	0.4
226.02631	0.8
227.03467	5.2
228.03938	0.5
229.01453	0.6
231.02942	1.7
243.03003	5.3
245.04457	0.7
255.03030	4.1
256.03699	1.5
259.72241	0.4
271.02527	54.5
272.03094	9.4
273.04013	3.8
279.08942	0.5
287.05615	0.8
299.02026	25.7
300.02786	41.3
301.03528	11.4
302.03870	0.4
317.03177	1.7
331.04657	100.0
332.04996	10.1
349.05698	57.1
349.14667	0.5
350.06046	4.7
463.09116	1.2
565.59070	0.5
609.16339	0.6
616.01630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
59.01265	100.0
60.01608	1.4
61.98714	4.8
67.01747	0.8
68.55921	0.5
69.03336	0.9
69.44013	4.3
71.01270	14.6
72.99189	0.5
73.02835	8.6
75.00797	0.8
78.95782	2.8
79.95628	1.8
80.81850	0.6
80.96414	1.6
83.01284	2.7
85.02847	5.7
87.00757	1.2
88.41738	0.5
93.03344	3.6
95.01261	0.9
96.95913	64.6
96.96805	2.6
99.00770	1.2
99.02429	0.5
101.02345	11.6
109.02895	0.5
113.02349	6.7
117.03375	8.7
119.03490	1.8
119.04945	63.9
120.05272	2.4
121.02930	0.6
125.02351	1.0
131.03415	1.5
133.02895	4.3
134.03676	3.7
135.04448	68.9
136.04802	2.7
137.02333	0.6
143.03448	1.8
145.02890	45.9
146.03250	1.6
149.04466	1.9
159.08093	1.6
161.02412	12.8
161.04446	5.4
164.04724	0.6
173.04524	1.9
179.03450	1.7
191.05574	5.8
195.06580	1.3
198.42085	0.5
202.08856	0.6
226.02748	0.6
232.10782	0.5
233.09506	0.5
255.03001	1.1
271.02518	1.3
272.02924	1.0
283.02512	1.6
284.03018	1.6
285.03070	0.7
299.02145	3.2
300.02399	1.2
313.16623	1.6
315.18198	5.1
329.18106	0.6
338.04843	0.6
346.21170	1.0
353.08881	0.6
353.18756	1.3
355.17657	3.3
356.19693	1.8
357.19284	3.3
357.31689	0.5
372.19257	1.8
373.22552	1.1
389.21954	1.9
399.20422	7.8
400.20691	1.1
415.20047	4.5
459.22736	1.7
502.23627	2.2
519.26636	1.1
535.25555	0.9
545.24182	6.4
561.23853	1.1
639.32648	1.0
655.31860	3.1
656.32196	0.9
665.30029	9.9
666.30524	1.9
681.29425	5.0
682.29102	1.0
746.24591	0.7
771.32660	0.8
801.35248	55.0
802.35590	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	801.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69528	0.1
58.00740	0.1
59.01266	7.8
61.98714	0.1
64.87521	0.1
71.01271	2.1
71.61292	0.2
72.99192	0.2
73.02850	0.6
78.95316	0.1
78.95797	2.7
79.95630	3.0
83.01281	0.2
85.02843	1.2
87.00777	0.3
89.02348	1.1
93.03331	0.1
94.97973	0.1
95.01299	0.3
96.95917	100.0
96.96793	2.9
97.95858	0.3
98.02398	0.2
99.00787	0.2
101.02346	1.1
109.02893	0.2
109.61287	0.1
113.02358	1.6
119.03436	0.4
119.04993	0.1
125.02364	0.1
127.03961	0.1
131.03398	0.2
135.04520	0.1
143.03442	0.4
149.04504	0.1
153.01897	0.1
159.02892	0.1
161.04552	0.3
163.03972	0.1
168.20555	0.1
173.04465	0.1
179.05519	0.1
191.05626	0.6
191.07051	0.1
198.57826	0.1
204.04242	0.2
205.08858	0.1
219.06584	0.1
284.80942	0.1
329.17642	0.2
331.19116	0.1
332.22992	0.1
370.20114	0.1
371.16476	0.2
439.32065	0.2
593.33496	0.7
594.33728	0.2
611.34503	2.1
612.35083	0.4
629.35730	0.5
630.36719	0.1
634.44122	0.1
653.35687	1.0
654.36041	0.2
671.36823	1.2
672.37372	0.2
690.31628	0.4
690.82245	0.2
699.46594	0.1
713.38049	0.2
729.29651	0.7
729.80469	0.5
730.30701	0.2
762.32953	0.1
771.36292	0.4
771.85815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
59.01265	100.0
60.01608	1.4
61.98714	4.8
67.01747	0.8
68.55921	0.5
69.03336	0.9
69.44013	4.3
71.01270	14.6
72.99189	0.5
73.02835	8.6
75.00797	0.8
78.95782	2.8
79.95628	1.8
80.81850	0.6
80.96414	1.6
83.01284	2.7
85.02847	5.7
87.00757	1.2
88.41738	0.5
93.03344	3.6
95.01261	0.9
96.95913	64.6
96.96805	2.6
99.00770	1.2
99.02429	0.5
101.02345	11.6
109.02895	0.5
113.02349	6.7
117.03375	8.7
119.03490	1.8
119.04945	63.9
120.05272	2.4
121.02930	0.6
125.02351	1.0
131.03415	1.5
133.02895	4.3
134.03676	3.7
135.04448	68.9
136.04802	2.7
137.02333	0.6
143.03448	1.8
145.02890	45.9
146.03250	1.6
149.04466	1.9
159.08093	1.6
161.02412	12.8
161.04446	5.4
164.04724	0.6
173.04524	1.9
179.03450	1.7
191.05574	5.8
195.06580	1.3
198.42085	0.5
202.08856	0.6
226.02748	0.6
232.10782	0.5
233.09506	0.5
255.03001	1.1
271.02518	1.3
272.02924	1.0
283.02512	1.6
284.03018	1.6
285.03070	0.7
299.02145	3.2
300.02399	1.2
313.16623	1.6
315.18198	5.1
329.18106	0.6
338.04843	0.6
346.21170	1.0
353.08881	0.6
353.18756	1.3
355.17657	3.3
356.19693	1.8
357.19284	3.3
357.31689	0.5
372.19257	1.8
373.22552	1.1
389.21954	1.9
399.20422	7.8
400.20691	1.1
415.20047	4.5
459.22736	1.7
502.23627	2.2
519.26636	1.1
535.25555	0.9
545.24182	6.4
561.23853	1.1
639.32648	1.0
655.31860	3.1
656.32196	0.9
665.30029	9.9
666.30524	1.9
681.29425	5.0
682.29102	1.0
746.24591	0.7
771.32660	0.8
801.35248	55.0
802.35590	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	801.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79813	0.5
57.03351	1.8
58.00511	1.3
58.80761	0.6
59.01265	35.6
64.89298	0.5
69.03352	1.1
71.01270	21.1
71.57040	0.9
72.99204	3.2
73.02863	1.1
75.00760	10.5
83.01296	0.5
85.02846	15.9
87.00766	4.7
89.02335	11.4
89.02831	0.9
91.03922	0.7
93.03368	1.4
95.01287	3.7
99.00784	6.3
101.02335	6.2
103.00280	1.8
111.00808	1.1
113.02353	21.7
115.00278	1.1
117.01849	1.2
117.03402	1.9
119.03588	3.2
119.04945	24.4
120.05298	0.6
129.01889	1.3
130.99773	0.6
145.02887	11.6
157.01407	0.6
163.03952	25.0
163.11227	9.3
163.12511	0.7
164.04333	0.7
172.05951	0.6
175.02435	1.5
191.05617	1.7
207.05110	0.7
207.10231	4.8
231.05119	1.1
237.07645	2.6
243.05060	0.6
249.06186	13.3
249.08549	1.0
250.06656	0.7
267.07263	58.9
268.07629	2.8
387.16687	90.9
388.17056	8.4
413.10971	100.0
414.11307	9.1
502.55914	0.6
551.65601	0.6
617.41553	0.7
740.63959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
59.01266	100.0
60.01607	1.0
61.75075	0.2
62.54427	0.2
69.82988	0.9
71.01273	7.4
73.02845	2.2
79.95620	0.3
83.01298	0.8
85.02843	3.7
85.03294	0.3
89.02339	2.4
91.23390	0.2
93.03416	0.3
95.01295	0.4
96.95914	7.9
98.02042	0.2
98.20448	0.4
99.00803	0.8
101.02342	6.1
101.66021	0.2
110.30529	0.2
113.02354	3.2
119.03434	1.0
125.02448	0.4
133.02855	0.2
135.04472	0.4
143.03458	0.4
145.02940	0.2
159.02936	0.4
161.02473	0.4
161.04482	2.2
164.15755	0.2
178.23135	0.2
179.03557	0.3
179.05688	0.3
180.75024	0.2
191.05637	1.1
271.02704	0.8
299.02090	1.7
313.16644	11.0
314.17087	0.9
355.17712	6.0
356.18204	0.9
359.54977	0.3
371.08090	0.2
744.51910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.9
62.96286	0.4
63.82186	0.3
63.96127	0.4
69.03344	0.4
69.94423	2.2
71.01268	2.4
73.02852	0.8
75.00726	0.3
78.95793	65.6
78.98467	0.8
79.95640	1.9
80.02564	0.4
80.96408	12.2
81.03362	0.9
83.04911	3.3
84.02065	0.4
84.61575	0.3
85.02836	0.8
87.00773	0.7
89.51563	0.3
93.03389	0.6
94.97994	3.1
95.04928	0.5
96.95913	0.6
96.96862	14.8
98.20545	0.4
101.02333	0.6
106.97993	0.6
109.06506	0.4
114.98129	0.4
122.97565	0.3
125.02389	0.6
125.05980	0.5
125.09648	3.1
127.11205	4.6
133.02937	0.5
134.97478	0.9
134.98463	0.6
137.09660	0.8
139.11232	0.6
147.85056	0.4
148.99081	1.4
152.99541	16.4
155.10715	1.4
157.12268	0.4
158.50206	0.4
160.31445	0.4
161.02414	0.5
163.11255	2.1
164.98576	1.9
165.09132	1.8
165.12801	1.1
171.10246	2.1
183.10342	0.5
183.34306	0.4
191.05569	1.8
191.10724	0.9
199.09732	1.8
201.11301	46.1
202.11655	2.8
206.99776	0.6
209.11816	43.6
210.12140	2.6
223.00133	4.1
225.00752	4.1
227.12881	3.4
229.59105	0.4
241.01207	31.4
242.01628	1.0
245.13826	1.0
255.23326	35.7
256.23627	2.3
259.02280	2.9
297.03830	1.3
315.04953	1.2
332.33313	0.3
353.09070	0.4
363.12234	0.8
381.13373	0.9
391.22650	1.0
453.14609	0.4
453.76123	0.4
543.18536	0.5
553.28491	0.9
568.21619	0.4
619.36078	2.9
620.36066	0.4
637.37183	0.4
709.38550	9.1
710.39026	1.7
755.40558	0.9
781.41315	6.3
782.42371	1.3
790.63611	0.4
799.42590	100.0
800.42908	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
59.01266	100.0
60.01607	1.0
61.75075	0.2
62.54427	0.2
69.82988	0.9
71.01273	7.4
73.02845	2.2
79.95620	0.3
83.01298	0.8
85.02843	3.7
85.03294	0.3
89.02339	2.4
91.23390	0.2
93.03416	0.3
95.01295	0.4
96.95914	7.9
98.02042	0.2
98.20448	0.4
99.00803	0.8
101.02342	6.1
101.66021	0.2
110.30529	0.2
113.02354	3.2
119.03434	1.0
125.02448	0.4
133.02855	0.2
135.04472	0.4
143.03458	0.4
145.02940	0.2
159.02936	0.4
161.02473	0.4
161.04482	2.2
164.15755	0.2
178.23135	0.2
179.03557	0.3
179.05688	0.3
180.75024	0.2
191.05637	1.1
271.02704	0.8
299.02090	1.7
313.16644	11.0
314.17087	0.9
355.17712	6.0
356.18204	0.9
359.54977	0.3
371.08090	0.2
744.51910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01263	100.0
60.01595	1.2
69.81239	1.1
71.01268	8.1
72.99199	0.2
73.02839	2.8
74.98766	0.2
83.01273	1.2
85.02839	4.6
87.00785	0.5
89.02340	0.6
93.03377	0.4
95.01299	0.6
96.95935	0.6
97.02838	0.3
98.20531	0.4
99.00785	1.6
101.02345	5.7
101.03020	0.4
105.20845	0.2
109.02892	0.3
110.72832	0.2
113.02357	4.5
119.04916	0.4
122.53832	0.2
133.02892	0.5
135.04483	0.8
136.04778	0.3
143.03458	0.6
143.05032	0.2
145.02879	0.2
149.09711	0.7
151.00307	0.2
151.11261	0.8
159.02959	0.8
161.02437	0.2
161.04485	4.5
163.03996	0.4
171.04439	0.4
172.98943	0.2
173.04546	0.4
175.03984	0.4
179.03456	0.4
191.05598	0.6
198.03270	0.4
199.03937	0.9
201.01941	0.3
215.03571	0.6
226.02995	0.2
227.03564	0.5
243.03104	0.7
244.68733	0.2
255.03242	0.5
271.02536	8.0
272.02982	0.7
283.02551	1.5
299.02014	16.3
300.02377	1.7
313.16641	9.6
314.16867	0.9
347.18735	0.2
353.08725	0.4
355.17670	11.4
356.17935	1.0
399.16873	0.7
451.15189	0.3
543.34760	0.2
697.33081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
59.01265	100.0
60.01596	0.8
66.82810	0.1
69.03350	0.3
71.01269	13.2
71.57983	0.2
71.58360	0.1
71.92453	0.2
72.01608	0.2
72.99202	0.3
73.02838	3.3
73.82999	0.1
75.00768	0.2
78.95794	0.2
81.03363	0.3
83.01276	1.4
85.02842	3.3
87.00806	0.4
89.02338	0.7
93.03383	0.4
95.01309	0.5
97.02872	0.3
99.00774	1.2
101.02345	4.9
109.82479	0.2
111.00805	0.2
113.02343	2.9
115.05454	0.4
119.03422	0.3
125.02361	0.8
131.04950	1.1
133.02899	0.2
133.06531	1.2
134.03758	0.2
135.04451	0.3
143.03423	0.8
149.04500	0.3
155.03488	0.5
159.03008	0.3
161.02434	0.3
161.04523	2.5
173.04512	0.2
179.03433	0.3
191.05585	1.6
191.07124	0.2
203.05598	14.2
204.06039	0.6
219.06549	0.6
221.06769	0.2
271.02536	0.3
299.02017	0.6
300.02859	0.2
312.84302	0.1
313.03693	0.2
313.16791	0.3
331.17703	3.5
331.21353	0.3
332.18170	0.2
337.03653	0.2
337.13068	0.6
373.18750	2.9
381.12210	0.5
637.07153	0.1
730.96381	0.2
785.61694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	20.4
59.13132	0.2
61.98719	0.2
63.01971	0.3
63.02268	2.0
64.99893	0.3
65.00193	1.7
69.03342	0.3
69.27630	1.6
71.01275	2.3
72.76797	0.2
73.02836	0.8
73.64464	0.2
79.01782	0.2
79.24066	0.2
83.01266	1.1
83.04880	0.2
85.02849	1.8
87.00783	0.2
87.04404	0.2
89.00222	0.3
89.02323	0.4
91.01788	0.3
93.03341	1.5
95.01276	0.4
96.95918	2.0
97.02824	0.2
99.00781	0.5
101.02330	1.2
105.03368	0.3
107.01282	2.2
109.02862	1.2
113.02341	1.2
117.03369	4.0
119.01280	0.2
119.04942	1.5
120.99221	0.2
121.02864	0.2
123.04434	0.5
125.02301	0.2
131.04912	0.3
133.02875	4.5
133.99977	0.3
134.03624	0.4
134.06725	0.1
135.00793	0.9
135.04453	2.9
136.04756	0.2
137.02339	0.2
141.03394	1.0
143.03371	0.3
143.04990	1.3
144.05370	0.2
145.02893	1.2
147.00835	0.3
147.04404	0.3
151.00311	2.4
155.03569	0.3
155.04974	2.1
157.02859	0.6
159.03087	0.3
159.04422	2.0
160.01579	0.3
161.02400	0.6
161.04497	0.5
163.03960	0.7
167.04964	0.5
169.01453	0.4
169.02904	0.4
171.04451	3.1
172.04860	0.2
173.02332	1.0
173.04509	1.4
173.06021	0.4
175.03976	1.9
177.01886	0.3
179.03473	1.8
182.03699	1.9
183.04482	8.8
184.04796	0.5
185.02461	1.6
187.04013	1.7
189.05461	0.2
191.05580	4.2
191.06888	0.2
195.06837	0.2
197.02405	0.7
198.03185	0.8
199.02129	0.4
199.03987	6.8
200.04311	0.5
201.01967	2.1
203.03506	0.5
209.02486	0.2
210.03162	0.3
211.03998	4.1
212.04266	0.2
213.01917	0.6
214.02744	0.3
215.03487	2.8
215.05458	0.3
225.01845	0.2
226.02675	1.3
227.03497	6.5
228.03902	0.4
239.03476	0.4
241.01532	0.3
242.02184	0.7
243.03008	3.7
254.97485	0.3
255.03021	42.2
256.03366	3.3
271.02530	44.0
272.02853	3.2
282.01770	0.5
283.02530	100.0
284.02887	8.5
288.99835	0.2
299.02023	98.0
300.02396	7.6
304.81128	0.2
313.16559	1.4
337.09253	0.3
351.07275	0.6
352.07767	0.3
353.08844	3.6
354.08926	0.3
355.17715	0.9
355.72888	0.2
356.38718	0.2
391.67886	0.2
515.12024	0.8
665.29193	0.3
697.32129	0.8
697.82098	0.4
799.34637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96494	0.2
59.01265	2.2
59.70806	0.2
69.03345	0.3
69.67088	1.5
71.01273	4.8
72.99189	0.3
73.02836	2.3
75.00796	0.2
78.95795	0.7
81.27174	0.2
83.01279	0.7
85.02840	2.1
85.95728	0.2
87.00774	0.4
89.02343	0.8
93.03368	0.2
96.96867	0.6
97.02857	0.2
99.00792	0.7
101.02348	3.4
105.03349	0.5
107.04947	0.4
110.22297	0.2
113.02341	1.5
115.03940	0.4
116.92687	0.2
117.03348	1.3
123.04437	0.3
125.02383	0.4
126.36790	0.2
132.02107	1.5
133.02881	31.8
134.03593	1.4
135.04449	15.3
136.04770	0.7
137.02315	0.2
149.02354	0.3
159.02928	0.4
161.02391	100.0
162.02734	4.9
179.03464	7.2
180.03827	0.4
191.05603	0.7
233.06839	0.3
233.09465	0.3
269.10306	1.6
401.14536	0.9
563.17816	79.9
564.18170	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	797.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.1
61.98714	0.8
63.02290	1.1
65.00207	2.6
69.03365	0.3
70.80933	0.7
71.01279	0.8
73.02834	0.4
75.78078	0.2
78.95821	0.6
81.48846	0.2
83.01283	1.7
83.04922	0.4
85.02853	0.9
87.00781	0.5
89.02334	0.5
92.92730	0.3
93.03372	2.2
98.24928	0.3
99.00779	0.4
101.02342	0.4
101.03870	0.4
105.03394	0.5
107.01305	4.0
108.02104	0.4
109.02856	0.9
111.04448	0.5
117.03361	0.3
119.04889	0.3
121.02859	0.5
123.00794	0.6
124.01607	0.7
125.02376	1.4
127.03959	0.3
131.04990	0.4
133.02881	4.1
134.03682	0.5
135.00824	0.3
135.04465	2.4
137.02371	0.8
137.93092	0.3
141.03502	0.2
143.04974	0.8
143.67004	0.3
145.02908	1.5
147.00803	0.7
147.04488	0.5
149.02405	0.3
149.99532	0.3
151.00314	12.7
152.00990	0.5
153.01881	0.5
155.03554	0.4
155.04984	0.9
156.05531	0.2
157.02895	0.8
158.03685	0.6
159.04436	1.3
161.02399	4.2
162.02806	0.3
163.00317	1.2
163.03963	0.7
165.01859	0.6
169.01373	1.4
169.02766	0.4
170.03696	0.5
171.04465	1.6
172.01581	0.3
173.02437	0.3
173.04556	1.9
175.00310	0.3
175.03990	0.7
177.01891	1.7
178.99815	5.9
179.03453	1.5
180.00281	0.3
183.04466	2.3
185.02397	0.8
186.03189	1.6
187.03966	1.8
188.04242	0.2
189.01964	1.6
190.02542	0.5
190.99890	0.3
191.05594	5.2
192.00615	0.4
192.05901	0.4
193.01405	0.6
198.03360	0.6
199.03983	7.3
200.04388	0.5
201.01967	1.3
202.02676	0.5
203.03528	1.9
205.01468	0.3
211.03975	1.0
213.01823	0.7
213.05641	0.3
214.02710	3.3
215.03482	2.7
216.00677	0.5
217.01402	0.8
217.05026	0.4
218.02266	0.7
226.64381	0.3
227.03502	6.1
227.41302	0.3
228.03906	0.3
229.01418	0.9
229.04895	0.4
231.03012	1.8
232.03448	0.4
241.01440	11.8
241.05066	0.6
242.02190	6.3
243.03006	15.3
244.03401	1.2
245.00940	9.3
245.04591	0.5
246.01263	0.5
248.77293	0.3
251.03658	0.4
253.01462	0.4
253.05060	0.3
255.03033	10.2
256.03561	0.6
257.04620	0.6
259.02701	0.3
269.04623	0.4
270.01752	16.9
271.02524	36.4
272.02921	3.2
273.00482	0.3
273.04080	0.8
274.01096	0.3
281.00806	0.3
282.01813	0.8
282.05194	0.3
283.02509	1.7
284.03247	0.7
285.04059	1.4
295.02615	0.9
297.04190	0.8
298.01266	10.4
299.02026	100.0
300.02570	13.8
301.03519	4.8
302.04514	0.3
311.01990	0.8
313.03543	2.3
314.04404	0.5
315.01575	0.4
337.03659	0.4
339.05151	0.3
341.03143	3.8
353.09009	0.4
359.06012	0.3
381.20673	0.6
446.58600	0.3
447.21909	0.8
449.23575	0.5
457.20184	0.6
459.21854	0.4
475.22018	0.4
485.19879	1.0
503.20862	10.7
504.21136	2.0
555.26147	1.0
593.11627	40.8
594.11945	5.3
758.74115	0.3
769.31250	0.3
797.30402	37.5
798.30835	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	795.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	2.0
58.00476	1.2
58.22420	0.2
59.01268	18.7
60.01609	0.2
61.98708	0.2
67.01785	1.3
68.99702	0.7
69.03333	0.3
70.90260	0.6
71.01273	14.5
72.01620	0.3
72.99202	3.5
73.02833	2.1
74.99053	0.2
75.00766	4.2
78.95800	0.4
82.55024	0.2
83.01279	2.9
84.02068	0.3
85.02847	13.3
86.03169	0.3
87.00775	1.6
89.02338	9.2
90.02693	0.2
93.03365	1.1
95.01289	5.4
96.95908	0.8
97.02857	0.9
99.00782	6.4
99.04423	0.2
101.02349	2.9
103.00196	0.2
108.02077	0.2
111.00794	4.5
111.04459	0.4
112.01570	0.7
113.02362	10.6
114.02702	0.4
115.00246	0.3
117.03367	0.3
118.97998	0.2
119.03463	0.4
119.04934	0.7
121.02831	0.5
125.02327	0.2
129.01883	1.3
131.03419	1.2
134.03746	0.2
135.04442	0.4
137.02370	0.5
139.00310	4.0
139.03946	0.7
143.03421	0.2
145.02859	0.4
149.04527	0.5
152.00894	0.2
155.03487	0.2
157.01381	1.2
161.04529	0.6
163.03940	1.0
165.01909	0.5
167.63136	0.2
173.04492	0.9
175.02423	0.2
177.01862	0.2
179.03444	0.3
191.05576	3.0
191.07130	0.3
195.06592	0.7
205.08723	0.4
209.11812	0.3
221.06592	0.3
255.03020	0.4
283.02557	0.4
284.03296	0.5
285.04108	0.8
331.19138	1.1
347.18707	0.6
375.20255	2.1
376.20538	0.3
439.32370	0.7
445.13672	0.3
453.30231	0.6
455.31863	1.3
456.32343	0.3
463.14825	0.3
463.38300	0.2
467.32217	0.4
469.33249	0.6
485.32721	1.0
487.34619	5.4
488.34720	0.8
515.33710	1.4
516.34253	0.3
534.96796	0.2
543.33588	0.4
569.34937	0.7
583.29755	0.2
583.36847	2.8
584.36652	0.8
601.37390	1.3
603.35931	0.3
663.37457	0.4
707.16699	0.2
795.41949	100.0
796.42310	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	795.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03051	0.3
57.03339	4.5
59.01267	5.8
60.99194	4.6
61.98714	0.8
67.01771	0.5
68.99710	0.8
69.03330	0.4
71.01273	12.0
71.61172	0.6
72.01638	0.2
72.99198	2.7
73.02835	1.0
75.00766	23.2
81.03361	0.3
82.01977	0.3
83.01292	0.8
84.02052	0.7
85.02845	23.7
86.03190	0.6
87.00771	4.6
87.07671	0.2
88.00318	0.6
88.98701	27.6
89.02336	4.5
95.01276	2.5
96.95910	2.2
97.56770	0.3
99.00775	4.9
99.04391	0.3
101.02344	1.5
106.72965	0.2
111.00793	0.3
113.02357	21.0
114.02670	0.6
114.99598	0.3
115.00275	1.6
116.01115	1.9
117.01843	1.1
119.04892	0.2
129.01871	0.6
135.04449	0.3
137.02426	0.4
149.31184	0.3
157.01396	1.0
161.04483	0.3
173.04716	0.4
175.02457	1.1
182.21956	0.3
191.05632	0.9
193.03409	0.3
259.34912	0.3
264.94626	0.3
345.27567	0.3
391.05502	0.8
393.31870	0.5
425.30420	0.4
437.18512	1.2
437.30698	0.7
437.68588	0.7
439.32269	7.5
440.32626	1.4
455.31726	1.9
456.32343	0.3
467.31738	0.7
469.33365	0.9
485.32858	1.9
487.34406	12.8
488.34717	2.2
515.33521	0.3
583.37341	0.5
587.35980	0.5
601.37860	1.1
619.38678	1.8
663.37561	5.1
664.38043	1.7
683.81848	0.7
722.29663	0.3
764.84167	0.3
795.42139	100.0
795.81531	3.4
796.42548	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.42
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.4
58.00483	5.8
59.01265	100.0
60.01609	1.4
60.99195	1.4
61.98723	3.7
67.01828	0.6
71.01270	77.1
72.01609	1.4
72.99196	10.3
73.02850	2.7
75.00754	2.9
83.01276	4.0
85.02845	19.9
86.03180	0.9
87.00771	5.4
88.98710	4.4
89.02338	90.4
90.02679	1.0
93.03372	1.2
95.01292	7.5
96.95906	1.3
97.02853	1.3
99.00804	2.3
101.02345	39.5
102.02689	0.8
111.00796	0.9
113.02357	38.8
114.02702	1.4
114.57685	0.6
119.03419	38.9
120.03761	1.0
125.02371	2.2
129.01961	0.7
131.03429	5.6
133.02867	1.0
135.04465	0.9
139.00284	1.9
143.03442	9.8
149.04510	3.7
157.01379	0.8
161.04497	12.2
173.04573	0.9
177.01755	0.7
179.05574	36.0
180.05898	1.7
191.05600	2.2
230.20413	1.0
240.66403	0.7
390.01175	0.6
412.92572	0.7
439.32248	40.1
440.32562	6.6
469.33380	0.7
471.34970	6.1
487.34418	1.7
493.86349	0.7
515.34271	0.6
566.86841	0.6
583.36481	1.0
724.74329	0.7
727.12360	0.7
795.42145	74.3
796.42517	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	795.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.7
58.00467	1.0
59.01266	19.0
60.01586	0.4
61.98434	0.3
61.98720	4.3
62.65183	0.2
64.12061	0.2
67.01768	1.0
68.99688	1.0
69.03330	0.3
70.69550	0.5
70.69916	0.4
71.01273	17.7
72.99193	3.2
73.02827	1.1
75.00757	3.2
79.86581	0.2
83.01279	2.2
83.04883	0.2
84.02024	0.3
85.02845	13.6
87.00770	1.4
88.98695	1.0
89.02340	12.3
93.03339	0.9
93.45256	0.2
95.00720	0.5
95.01289	6.2
96.95898	1.2
97.02853	0.4
99.00780	4.7
101.02345	1.9
109.02893	0.3
111.00793	3.5
111.04478	0.3
112.01561	0.4
113.02361	13.5
115.00331	0.3
119.03334	0.3
119.04954	0.6
124.75483	0.2
125.02357	0.2
129.01854	0.9
131.03438	1.2
133.02858	0.3
135.04407	0.7
137.02336	0.3
139.00317	5.4
149.04437	0.4
157.01305	1.6
161.02347	1.1
163.03926	0.6
173.04344	0.2
175.02516	0.3
178.94035	0.2
179.59312	0.2
187.07643	0.2
191.05592	1.9
213.14850	0.6
214.15366	0.3
239.03413	0.3
409.27304	0.3
421.27017	0.3
422.53415	0.2
425.30594	0.8
431.59021	0.3
437.30579	2.3
438.31149	0.5
439.32227	3.9
440.32913	0.6
453.39862	0.3
455.31793	2.5
456.32230	0.3
467.31778	2.3
468.32071	0.3
469.33157	1.7
485.33145	0.5
485.43832	0.3
487.34381	8.8
488.34729	1.6
515.33917	1.1
516.34558	0.3
569.34918	0.8
583.36414	4.6
584.36725	1.0
601.37561	1.5
602.38354	0.3
603.35614	0.3
795.41907	100.0
796.42242	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	795.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	6.0
58.00475	0.9
59.01265	13.6
59.88960	0.2
60.01606	0.3
61.98705	0.5
63.16861	0.2
67.01772	0.5
69.03335	0.3
69.46696	0.5
69.47116	1.2
71.01269	41.2
72.01605	0.6
72.99197	0.8
73.02832	0.7
75.00038	0.2
78.95798	1.4
83.01274	1.6
84.02048	1.2
85.02843	54.1
86.03172	0.9
87.00770	1.4
89.02339	13.3
90.02689	0.2
93.03385	0.3
93.72750	0.2
95.01285	19.1
96.01620	0.3
96.95918	2.0
96.96866	0.2
97.02879	0.5
99.00805	0.6
99.40829	0.2
101.02343	1.1
112.01546	0.2
113.02356	100.0
114.02704	2.8
119.03400	0.2
125.02394	0.5
131.03441	1.3
135.04491	0.4
139.00293	0.9
143.03438	3.3
149.04488	1.9
152.99533	0.7
161.04500	24.5
162.04828	0.8
171.10172	0.4
173.04514	0.3
191.05518	0.9
230.32486	0.2
265.10358	0.2
271.34018	0.2
311.09964	1.2
318.40915	0.2
329.23337	0.4
439.32254	10.6
440.32602	1.8
795.41870	56.9
796.42194	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	795.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20103	0.5
57.03337	1.1
59.01271	2.5
60.99188	1.0
61.36073	0.7
67.01786	3.1
67.02074	0.5
69.03333	1.0
70.45200	1.8
71.01260	2.7
71.87117	0.6
73.02835	0.6
75.29502	0.5
79.54041	0.6
81.03366	0.7
85.02849	5.7
87.00771	5.3
89.02349	0.8
92.04087	0.6
93.03359	21.5
94.03735	0.7
99.00788	2.4
101.02382	1.1
109.02849	0.8
111.04409	3.3
117.03420	0.7
119.04948	90.2
120.05264	3.9
127.03924	1.3
129.01845	0.8
135.04462	0.6
145.02846	2.5
155.03326	1.0
163.03963	65.8
164.04330	3.9
173.04521	7.4
191.05583	74.4
192.05940	4.3
205.05058	1.4
209.08185	1.3
327.09183	0.7
337.09360	13.4
338.09714	0.8
355.41650	0.6
429.76770	0.6
457.13620	100.0
458.14020	12.5
669.22247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20103	0.5
57.03337	1.1
59.01271	2.5
60.99188	1.0
61.36073	0.7
67.01786	3.1
67.02074	0.5
69.03333	1.0
70.45200	1.8
71.01260	2.7
71.87117	0.6
73.02835	0.6
75.29502	0.5
79.54041	0.6
81.03366	0.7
85.02849	5.7
87.00771	5.3
89.02349	0.8
92.04087	0.6
93.03359	21.5
94.03735	0.7
99.00788	2.4
101.02382	1.1
109.02849	0.8
111.04409	3.3
117.03420	0.7
119.04948	90.2
120.05264	3.9
127.03924	1.3
129.01845	0.8
135.04462	0.6
145.02846	2.5
155.03326	1.0
163.03963	65.8
164.04330	3.9
173.04521	7.4
191.05583	74.4
192.05940	4.3
205.05058	1.4
209.08185	1.3
327.09183	0.7
337.09360	13.4
338.09714	0.8
355.41650	0.6
429.76770	0.6
457.13620	100.0
458.14020	12.5
669.22247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99528	0.6
59.00989	1.1
59.01261	13.6
62.25104	0.6
71.00901	1.3
71.01272	23.8
71.57771	0.7
73.02830	2.0
85.02840	1.1
87.00761	1.1
87.73858	0.7
89.02349	2.6
93.03320	0.8
95.01254	0.9
99.00767	1.8
101.02352	4.6
109.06493	4.2
113.02345	3.4
119.03378	0.9
125.05944	0.7
125.09662	2.4
127.11184	1.9
137.09566	0.9
141.01868	0.7
145.05013	0.8
153.09169	0.9
155.10670	2.6
161.04532	2.3
163.11227	2.4
167.36729	0.7
171.10222	23.8
172.10571	1.3
179.05569	1.2
181.08739	3.3
181.12288	2.8
191.05598	2.6
199.09743	18.2
199.13335	4.6
200.10130	0.9
201.11299	27.3
202.11641	1.0
207.10258	14.7
215.12889	1.6
223.09712	1.4
225.11336	19.8
235.08202	7.1
235.13466	1.6
235.62900	0.7
243.12357	3.4
253.09329	14.4
277.21783	100.0
278.22134	9.1
403.13861	0.7
409.24963	0.7
417.17630	1.8
435.18976	3.7
443.19211	1.9
461.20404	4.9
479.20944	1.0
513.30548	1.0
619.06201	0.9
695.40448	8.5
696.41370	2.0
703.38568	2.1
721.41919	8.3
722.42462	1.6
737.41089	0.9
739.42737	6.3
740.43439	1.6
757.44012	12.6
758.44562	2.5
793.43396	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	793.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30180	1.1
57.03336	1.4
59.01271	13.9
61.98704	3.0
64.13122	1.2
71.01273	27.6
71.45233	1.1
71.50746	2.7
73.02855	3.1
78.95815	1.7
85.02865	1.2
87.00769	1.7
89.02350	4.3
97.02841	1.7
99.00752	2.9
101.02309	5.6
109.06503	4.3
113.02351	3.7
119.03437	1.3
123.08056	1.2
125.09653	4.1
127.11183	3.5
161.04454	1.6
163.11189	3.4
171.10225	30.9
181.08633	2.5
181.12311	3.8
191.05594	2.5
199.09772	21.8
199.13383	3.0
200.09995	2.3
201.11339	28.2
205.08595	1.2
207.10257	20.5
215.12886	1.8
216.34381	1.2
225.09303	1.5
225.11365	24.6
226.11511	2.4
234.78017	1.2
235.08252	8.4
243.12390	2.8
253.09326	14.9
277.21799	100.0
278.22168	8.3
283.05154	1.3
297.43478	1.3
435.18762	4.5
443.19199	2.9
461.20160	5.2
479.21341	1.7
513.30414	2.6
695.40344	8.8
703.39496	1.6
721.42163	10.6
722.42139	1.6
737.39716	1.3
738.40613	1.3
739.43060	6.5
757.43970	14.3
758.43945	4.2
793.82025	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.5
59.01263	11.4
61.98706	1.3
64.81054	0.5
67.01776	1.0
68.99677	0.5
69.03336	0.8
71.01265	12.3
71.56214	1.1
72.99200	3.2
73.02839	1.3
74.72324	0.5
75.00768	5.2
78.95798	0.7
81.03349	0.7
83.01261	1.7
85.02844	10.9
87.00762	2.4
87.53621	0.5
88.98652	0.8
89.02338	7.2
93.03355	1.0
95.01303	3.6
96.95913	1.6
97.02852	2.2
99.00777	7.6
99.45127	0.6
101.02349	2.0
103.00244	0.9
106.04016	1.7
111.00790	2.6
112.01567	0.8
113.02354	11.8
116.85509	0.5
117.01826	0.7
125.02370	0.7
129.01817	0.9
131.03419	1.8
133.02899	1.4
135.04407	1.2
139.00317	4.7
149.04442	0.7
151.07570	1.0
157.01349	1.8
161.02408	2.5
173.04498	0.6
173.21635	0.5
177.01738	0.5
179.03452	1.1
191.05602	3.2
193.05103	0.6
195.06635	4.3
271.02502	2.3
291.07251	1.6
299.02112	4.1
301.07239	0.7
313.03555	1.2
329.17599	1.0
409.27402	1.7
425.30811	3.8
437.30661	2.1
453.30173	2.3
455.31802	8.8
456.31894	1.2
485.32693	4.2
506.22290	0.6
507.21033	0.6
513.32385	1.0
581.34802	2.6
599.36060	1.5
702.30493	0.6
717.95410	0.7
746.08307	0.7
793.40350	100.0
794.40662	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76399	0.2
59.01265	4.2
60.23045	0.2
61.98726	0.4
69.45186	0.2
70.53193	0.2
71.01257	1.0
71.35764	0.4
73.02835	0.8
77.89809	0.2
83.01267	0.3
85.02851	0.7
91.05482	0.2
93.03357	0.5
96.95906	0.9
101.02351	1.0
106.04149	0.4
107.04961	0.2
108.02069	0.2
113.02377	0.2
123.04433	0.6
126.56777	0.2
130.04266	0.2
131.04991	1.0
132.05754	2.0
133.06520	100.0
134.03685	0.3
134.06856	4.9
135.04422	0.6
137.02414	1.3
137.03267	0.3
147.04399	0.4
148.05237	29.4
149.05557	1.2
161.02383	0.7
161.04524	0.2
161.54292	0.2
163.07593	31.9
164.07947	1.5
165.05597	0.3
173.04510	0.4
177.01855	0.2
178.02637	0.3
179.03487	0.6
191.05562	1.7
193.05031	0.3
195.06552	0.3
203.05566	0.8
211.06105	0.4
241.07251	0.8
271.02597	0.2
287.16135	0.2
299.01834	0.4
329.17737	0.3
337.13004	2.2
338.13214	0.3
389.59073	0.2
498.58701	0.2
763.33472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	0.8
60.92080	0.1
61.98704	0.4
71.01279	0.4
71.59525	0.2
73.02839	7.9
74.02369	0.2
75.00760	1.4
77.30994	0.1
85.02853	0.1
87.00793	0.3
89.02332	0.3
99.00781	2.4
99.92486	9.6
100.92498	0.4
114.78055	0.1
114.93329	0.5
116.03439	0.3
116.92776	100.0
116.97139	1.5
117.01852	13.6
117.05495	0.7
117.92786	5.6
118.02191	0.2
158.63611	0.1
191.05612	0.6
277.21786	0.4
397.13474	0.4
415.14587	0.2
455.05231	0.2
697.32990	0.2
800.84888	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.4
59.73959	0.3
69.03345	10.0
69.32620	1.2
69.33046	1.9
69.78607	0.3
71.04916	0.6
78.95771	0.5
85.06491	0.5
87.04414	29.4
88.04748	0.6
90.51151	0.3
97.06473	0.6
98.20537	0.8
99.04420	8.2
99.05077	0.4
100.04784	0.3
152.99559	0.6
154.29039	0.3
163.43639	0.3
165.12798	1.3
255.23305	0.3
273.22012	0.4
275.23883	11.0
276.24164	1.1
301.21780	13.4
302.22162	1.1
304.11374	0.3
305.21011	0.3
319.22842	8.1
320.23267	0.7
357.27707	0.4
389.27072	100.0
390.23480	0.2
390.27396	13.0
401.27048	73.9
402.27399	10.1
791.46039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
63.02271	0.9
65.00207	0.8
67.01762	0.1
69.58472	0.2
69.58871	0.9
71.01263	0.2
83.01273	0.6
85.02850	0.1
89.00277	0.2
93.03357	0.6
95.01244	0.2
96.95908	0.7
98.20621	0.2
98.88654	0.1
101.12362	0.2
107.01297	1.6
109.02848	1.2
113.02277	0.1
115.05447	0.2
119.01270	0.2
121.02867	0.5
131.04973	0.3
132.02177	0.1
133.02881	3.1
134.03137	0.2
135.00793	0.4
135.04459	1.8
137.02339	0.2
143.04938	0.9
145.02936	0.3
147.00807	0.4
147.04420	0.3
149.02411	0.2
151.00317	2.5
155.04994	0.4
157.02872	0.5
159.04427	0.3
161.02385	3.0
162.02890	0.2
163.00307	0.3
165.05455	0.1
169.01384	0.3
171.04474	2.5
173.02408	0.5
173.04492	0.4
174.03162	0.2
175.03995	1.2
178.99843	0.5
179.03467	1.1
182.03723	0.3
183.04471	0.5
185.02432	0.2
187.03961	1.4
188.04445	0.2
189.05464	0.3
191.05620	0.9
195.06601	0.2
197.02460	0.6
198.03194	0.8
199.03993	6.3
200.04289	0.2
201.01929	2.1
203.03465	0.4
211.03880	0.2
213.01892	0.3
214.02718	0.2
215.03505	2.5
216.03831	0.2
225.01965	0.3
226.02664	1.5
227.03506	3.6
228.03825	0.3
229.01463	0.2
231.03004	0.2
241.01443	0.2
242.02235	0.5
243.03015	5.1
244.03307	0.3
254.02200	0.5
255.03011	1.3
259.63208	0.1
271.02539	44.0
272.02902	3.6
273.03751	0.2
282.01727	0.4
285.07352	0.2
299.02032	100.0
300.02472	9.3
301.03571	4.1
311.09317	0.4
319.45947	0.1
491.12033	1.0
506.18250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	6.3
60.45979	4.0
61.98701	16.8
70.65932	15.6
78.95797	100.0
96.95918	4.9
96.96895	10.8
152.99544	46.9
191.05579	5.4
209.11766	27.3
216.12296	4.7
260.74905	5.1
265.14627	4.8
277.21811	19.5
279.33194	4.4
293.21121	11.9
311.22397	6.4
343.25119	10.7
479.24387	7.3
791.43201	9.8
816.70441	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	787.5385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.8
59.01247	0.6
61.98705	1.5
64.23463	0.4
69.03349	1.2
70.09569	0.4
71.56408	0.6
78.95821	1.9
81.35215	0.4
83.04915	2.8
85.02849	0.6
93.03333	0.7
97.06483	0.6
99.04420	18.2
111.08064	0.4
111.61987	0.4
121.06512	18.5
122.06853	0.7
123.08071	1.6
125.09653	3.3
135.04454	0.5
147.08098	0.9
152.99519	0.7
161.02405	0.9
165.12898	0.5
167.14334	0.9
179.03503	0.7
191.05591	1.9
219.17503	0.9
271.20740	2.5
273.22354	1.1
289.21793	14.0
290.22180	1.4
291.23373	2.4
317.21283	3.2
329.12222	0.4
335.22498	2.0
371.26105	0.7
373.27502	5.0
374.27872	0.5
417.26553	100.0
418.26898	10.3
575.73499	0.5
646.33923	0.4
787.43274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00496	0.6
59.01267	46.7
60.01597	0.4
63.05666	0.3
69.51459	0.6
69.51877	1.6
71.01276	10.0
72.99210	1.4
73.02839	0.5
74.20014	0.3
78.95789	0.3
83.01286	0.5
85.02837	2.7
85.03192	0.2
87.00780	1.0
89.02341	9.6
93.03343	1.8
95.01280	1.0
96.96883	0.4
99.04366	0.4
101.02350	9.0
101.24844	0.3
111.00818	0.4
111.04371	0.3
113.02365	4.3
119.03418	4.6
119.04960	0.5
137.02446	0.3
140.07103	1.2
143.03445	0.3
145.02917	0.3
145.10173	0.4
163.03952	0.5
163.11230	5.0
169.36200	0.3
173.04520	0.9
179.05717	0.3
183.02963	0.4
185.83772	0.3
191.05591	6.4
192.05875	0.4
201.04018	0.4
207.10271	10.5
208.10651	0.3
211.07587	0.4
225.11391	0.4
243.05122	5.2
244.05367	0.3
251.10571	0.6
267.07339	0.3
281.89273	0.3
337.09467	0.3
343.10562	0.6
369.15594	0.3
370.15884	0.3
387.16696	100.0
388.12189	0.5
388.17050	8.8
401.14349	0.4
424.63464	0.3
745.20068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.4
63.02282	0.9
65.00183	0.7
71.01284	0.1
71.55972	0.2
80.10042	0.1
83.01289	0.5
85.02863	0.1
89.00227	0.2
91.01804	0.2
92.99677	0.1
93.03354	0.4
95.01275	0.1
96.95887	0.7
107.01294	1.7
107.46270	0.1
108.02073	0.1
109.02859	1.2
115.05459	0.3
119.01322	0.2
119.04978	0.2
121.02864	0.4
125.02416	0.1
126.11901	0.1
131.04953	0.2
133.02879	2.8
134.03629	0.1
135.00792	0.3
135.04445	1.5
137.02391	0.2
143.04953	1.1
145.02904	0.3
147.00839	0.4
147.04416	0.4
149.02359	0.3
151.00316	3.0
155.04955	0.4
157.02925	0.6
159.04471	0.2
160.01541	0.1
161.02390	2.8
161.04466	0.2
161.06041	0.2
162.02748	0.2
163.00340	0.3
163.04019	0.1
169.01399	0.3
169.02855	0.2
170.03667	0.3
171.04465	2.6
172.04898	0.1
173.02417	0.6
173.04567	0.3
174.03046	0.2
175.03949	1.7
177.01831	0.1
178.99841	0.7
179.03485	1.1
182.03625	0.2
183.04491	0.5
185.02415	0.3
187.00311	0.1
187.03978	1.2
189.05493	0.3
191.04001	0.1
191.05576	0.8
195.06651	0.2
197.02432	0.5
198.03236	0.6
199.04001	5.8
200.04309	0.4
201.01935	2.0
203.03502	0.4
207.80339	0.1
211.04039	0.2
213.01958	0.2
214.02728	0.3
215.03506	2.4
216.04013	0.2
225.01959	0.3
226.02705	1.5
227.03508	3.4
228.03874	0.3
229.01353	0.1
241.01427	0.2
242.02280	0.7
243.03033	5.4
244.03340	0.4
254.02289	0.4
255.02998	1.5
256.03256	0.1
271.02542	46.8
272.02872	3.8
282.01877	0.3
285.07547	0.2
299.02032	100.0
300.02472	10.1
301.03564	4.3
302.03967	0.2
311.09366	0.3
319.43051	0.1
331.11816	0.2
353.08835	0.2
406.49893	0.1
491.12061	0.8
506.74188	0.1
557.22736	0.1
623.53986	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	787.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52205	0.2
58.00484	0.2
59.01265	3.5
61.98717	0.7
67.01756	0.2
69.48441	0.4
69.48846	1.4
71.01269	2.7
72.99179	0.4
73.02837	1.8
85.02846	0.6
87.00788	0.4
89.02341	3.6
89.03857	0.5
91.05446	0.6
93.03371	0.5
96.95917	0.6
98.20537	0.3
99.00787	2.9
101.02364	1.4
105.03401	0.3
106.04163	0.4
107.04935	2.2
108.02103	0.2
109.02869	0.2
109.27641	0.2
113.02337	0.5
117.03376	1.3
119.03395	0.2
119.04969	0.3
123.04433	0.3
125.02412	0.3
128.63425	0.2
131.03481	0.3
132.02094	1.0
133.02881	18.4
134.03676	7.8
135.04449	100.0
136.04782	4.2
137.02353	0.5
145.02853	0.3
149.04491	0.4
161.02391	52.2
162.02739	2.2
163.03978	0.3
173.04478	0.3
179.03461	54.7
180.03807	2.6
181.05054	0.2
191.05577	1.5
193.04941	0.2
195.06602	0.5
205.76859	0.2
251.05649	0.7
271.02402	0.3
299.02051	0.7
311.07901	0.5
353.08832	1.7
383.09860	0.5
413.11270	0.9
420.66205	0.2
427.62018	0.2
625.24921	4.5
626.25330	0.7
656.07428	0.2
756.83783	0.2
787.31885	45.4
788.32190	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	787.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.5
61.98724	5.9
63.96124	2.8
69.03344	1.0
70.50024	2.8
71.01267	10.3
73.02844	2.2
74.40045	0.8
76.97117	0.9
78.95779	1.7
78.98495	8.5
79.95622	19.1
80.96412	92.8
81.03349	1.5
85.02858	4.8
87.00771	3.2
88.89706	1.1
94.97980	21.5
96.95927	1.2
97.02858	1.5
101.02346	4.0
106.97964	4.2
122.97536	4.3
125.02357	3.7
127.77900	0.9
134.97507	6.1
136.99066	1.6
140.27989	0.8
148.99091	7.8
152.98575	7.9
164.98613	16.2
171.10284	1.1
180.42966	0.9
191.05585	2.1
206.99655	3.9
209.11789	2.4
225.00752	27.3
226.01202	1.1
277.21805	2.8
278.22086	0.9
279.23550	1.5
332.21140	1.0
469.25552	1.0
509.16934	2.7
787.39539	100.0
788.39911	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	787.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.4
61.98711	1.3
63.96126	2.0
69.03342	1.2
71.01274	10.1
71.61295	0.5
72.99166	0.4
73.02843	2.5
75.86398	0.3
77.85680	0.3
78.95798	0.7
78.98486	8.1
79.95628	15.8
80.17804	0.3
80.96413	91.5
81.03349	1.4
85.02844	3.5
87.00768	3.4
91.11511	0.4
94.97992	21.1
95.01299	0.5
96.95915	1.8
97.02859	1.6
99.00742	0.7
101.02332	3.2
106.98001	4.3
113.02364	0.5
122.97506	4.8
125.02374	4.8
127.03945	1.2
134.97505	6.5
136.99075	1.2
143.03505	0.5
143.96684	0.4
146.97522	0.5
148.99095	8.5
152.98572	7.7
164.98593	14.6
165.98914	0.4
167.00128	0.8
188.98711	0.4
206.99692	3.8
209.11736	2.2
211.13307	0.5
225.00760	24.6
226.00964	0.9
262.39560	0.4
275.36087	0.4
277.21799	1.4
279.23352	0.5
283.05035	0.8
341.05252	0.4
509.17166	1.7
559.25964	2.2
560.26581	0.5
787.39661	100.0
788.39893	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	787.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
60.60979	0.1
61.98712	0.4
71.01239	0.2
71.59546	0.2
78.95791	0.3
79.95625	2.8
81.03378	0.2
92.54456	0.1
93.03353	0.2
95.97539	0.1
96.95916	100.0
97.95850	0.3
100.64217	0.1
111.04485	0.1
133.02856	0.3
135.04411	0.2
147.87154	0.1
151.07608	1.1
151.76118	0.2
161.02434	0.3
162.29851	0.1
171.10207	0.2
179.03412	0.2
191.05600	0.5
195.06609	3.0
197.11853	0.2
203.22357	0.1
209.11868	0.3
219.06583	0.6
237.07700	0.2
320.32816	0.2
357.11942	0.8
389.26068	0.1
689.31848	1.3
690.32697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52205	0.2
58.00484	0.2
59.01265	3.5
61.98717	0.7
67.01756	0.2
69.48441	0.4
69.48846	1.4
71.01269	2.7
72.99179	0.4
73.02837	1.8
85.02846	0.6
87.00788	0.4
89.02341	3.6
89.03857	0.5
91.05446	0.6
93.03371	0.5
96.95917	0.6
98.20537	0.3
99.00787	2.9
101.02364	1.4
105.03401	0.3
106.04163	0.4
107.04935	2.2
108.02103	0.2
109.02869	0.2
109.27641	0.2
113.02337	0.5
117.03376	1.3
119.03395	0.2
119.04969	0.3
123.04433	0.3
125.02412	0.3
128.63425	0.2
131.03481	0.3
132.02094	1.0
133.02881	18.4
134.03676	7.8
135.04449	100.0
136.04782	4.2
137.02353	0.5
145.02853	0.3
149.04491	0.4
161.02391	52.2
162.02739	2.2
163.03978	0.3
173.04478	0.3
179.03461	54.7
180.03807	2.6
181.05054	0.2
191.05577	1.5
193.04941	0.2
195.06602	0.5
205.76859	0.2
251.05649	0.7
271.02402	0.3
299.02051	0.7
311.07901	0.5
353.08832	1.7
383.09860	0.5
413.11270	0.9
420.66205	0.2
427.62018	0.2
625.24921	4.5
626.25330	0.7
656.07428	0.2
756.83783	0.2
787.31885	45.4
788.32190	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	787.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.2
61.23291	0.1
61.29559	0.1
61.98715	0.1
69.07662	0.0
71.01257	0.1
75.00769	0.1
78.95792	0.3
79.95628	2.8
81.03356	0.1
85.02846	0.2
87.00764	0.1
93.03361	0.1
94.97990	0.1
95.97501	0.1
96.95918	100.0
97.95843	0.4
97.96310	0.1
98.20666	0.1
101.02357	0.1
109.02856	0.1
109.06532	0.1
111.04433	0.1
113.02335	0.1
116.92754	0.1
125.02361	0.3
133.02934	0.1
134.03625	0.1
135.04442	0.1
151.00374	0.1
151.07603	1.2
160.01660	0.1
161.02533	0.1
163.03999	0.1
171.10329	0.1
175.03938	0.1
177.05498	0.1
178.02754	0.1
179.03479	0.1
189.05553	0.2
189.12833	0.4
191.05559	0.3
191.07162	0.2
193.05095	0.1
195.06616	4.3
196.06938	0.3
201.05670	0.1
205.08673	0.3
209.11903	0.1
219.06715	0.1
229.29002	0.1
311.11536	0.1
313.18231	1.3
314.18552	0.1
331.19211	0.8
332.19617	0.1
357.11987	0.5
498.97720	0.1
625.30811	0.1
673.29541	0.1
689.32208	0.3
720.98706	0.1
749.85901	0.1
756.84253	0.1
757.33130	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	787.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.1
61.98720	0.1
70.17005	0.1
70.17378	0.1
74.98982	0.1
78.95788	0.4
79.95627	3.0
81.03352	0.2
90.67909	0.1
95.97485	0.1
96.95914	100.0
97.95856	0.3
97.96400	0.1
109.06520	0.1
111.04427	0.1
125.02364	0.3
135.04408	0.1
135.06056	0.0
151.07581	1.2
161.02431	0.1
177.52820	0.1
179.03476	0.1
191.05602	0.1
191.07140	0.1
195.06609	5.3
196.06895	0.3
259.35776	0.1
293.03622	0.1
331.19232	0.6
357.11966	0.6
367.45084	0.1
403.56076	0.0
458.66476	0.1
527.28406	0.1
689.31580	0.5
690.32990	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	787.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	35.0
61.90865	0.3
63.02282	3.2
65.00208	5.9
69.03307	0.3
69.33443	3.3
70.74669	0.3
71.01266	4.8
73.02834	2.5
75.97504	0.3
82.67685	0.3
83.01276	4.1
85.02845	2.4
87.00788	0.4
89.02321	0.7
93.03368	1.9
95.01311	0.6
96.95911	0.9
99.00772	0.6
101.02346	3.5
107.01298	10.8
109.02836	1.4
113.02353	2.0
119.04929	0.3
121.02870	10.8
121.47372	0.3
122.03222	0.4
125.02367	0.9
133.02872	3.9
134.03682	1.8
135.04448	8.1
136.04755	0.4
137.02345	0.5
139.03934	0.7
143.03450	0.4
145.02913	0.4
149.02328	1.4
150.03159	0.9
151.00308	38.5
151.07645	0.4
152.00604	1.7
159.52664	0.4
161.02394	11.5
161.04510	1.3
162.02757	0.5
163.00319	0.9
163.03987	0.4
164.01097	0.5
165.05580	0.5
169.01396	2.6
173.04510	0.9
175.03978	0.3
178.99828	17.2
179.03421	4.7
180.00150	0.7
181.05159	0.3
187.03989	0.6
191.05560	4.0
192.05830	0.6
192.31308	0.3
193.01414	0.5
193.05054	1.3
194.01825	0.3
195.06561	2.5
199.04004	0.5
201.05536	0.3
205.05031	0.4
227.03568	0.6
229.05038	1.1
239.03482	0.4
243.02867	0.4
245.04507	0.8
255.03076	0.4
257.04636	0.8
271.02570	1.1
273.04221	2.7
297.07477	0.4
299.02060	1.9
300.02628	0.6
301.03592	100.0
302.00562	0.5
302.03943	8.5
313.03683	0.5
338.80176	0.3
341.10437	0.4
353.08850	1.5
354.09192	0.4
357.12027	1.1
399.23804	2.0
441.25079	3.2
442.25443	0.5
534.41498	0.3
535.20435	0.4
625.24988	2.4
787.28082	3.4
788.28967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	35.0
61.90865	0.3
63.02282	3.2
65.00208	5.9
69.03307	0.3
69.33443	3.3
70.74669	0.3
71.01266	4.8
73.02834	2.5
75.97504	0.3
82.67685	0.3
83.01276	4.1
85.02845	2.4
87.00788	0.4
89.02321	0.7
93.03368	1.9
95.01311	0.6
96.95911	0.9
99.00772	0.6
101.02346	3.5
107.01298	10.8
109.02836	1.4
113.02353	2.0
119.04929	0.3
121.02870	10.8
121.47372	0.3
122.03222	0.4
125.02367	0.9
133.02872	3.9
134.03682	1.8
135.04448	8.1
136.04755	0.4
137.02345	0.5
139.03934	0.7
143.03450	0.4
145.02913	0.4
149.02328	1.4
150.03159	0.9
151.00308	38.5
151.07645	0.4
152.00604	1.7
159.52664	0.4
161.02394	11.5
161.04510	1.3
162.02757	0.5
163.00319	0.9
163.03987	0.4
164.01097	0.5
165.05580	0.5
169.01396	2.6
173.04510	0.9
175.03978	0.3
178.99828	17.2
179.03421	4.7
180.00150	0.7
181.05159	0.3
187.03989	0.6
191.05560	4.0
192.05830	0.6
192.31308	0.3
193.01414	0.5
193.05054	1.3
194.01825	0.3
195.06561	2.5
199.04004	0.5
201.05536	0.3
205.05031	0.4
227.03568	0.6
229.05038	1.1
239.03482	0.4
243.02867	0.4
245.04507	0.8
255.03076	0.4
257.04636	0.8
271.02570	1.1
273.04221	2.7
297.07477	0.4
299.02060	1.9
300.02628	0.6
301.03592	100.0
302.00562	0.5
302.03943	8.5
313.03683	0.5
338.80176	0.3
341.10437	0.4
353.08850	1.5
354.09192	0.4
357.12027	1.1
399.23804	2.0
441.25079	3.2
442.25443	0.5
534.41498	0.3
535.20435	0.4
625.24988	2.4
787.28082	3.4
788.28967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03726	0.0
59.01264	0.1
61.98720	100.0
62.98418	0.2
62.99139	0.1
69.64251	0.3
71.01279	0.2
73.02842	0.1
78.95827	0.0
78.98508	0.1
79.95625	0.2
80.96412	0.9
82.64886	0.0
82.96015	0.1
83.04934	0.0
90.00526	0.0
94.98018	0.2
125.02381	0.1
134.41435	0.0
134.97501	0.1
136.99020	0.1
145.15169	0.0
152.98550	0.1
164.98598	0.1
209.11823	0.5
210.12198	0.4
211.12457	0.2
212.12643	0.1
225.00786	0.2
227.12926	0.1
228.13138	0.1
253.09258	0.0
253.43275	0.1
277.21783	0.6
278.22131	0.7
279.22626	0.3
280.22720	0.1
289.18024	0.1
512.37878	0.0
786.38025	0.7
787.39185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66294	0.2
57.03333	0.3
59.01265	5.0
61.98720	1.0
64.27074	0.3
71.01271	4.7
71.14637	0.3
71.59446	0.5
73.02834	1.3
78.95787	0.4
83.01274	0.4
85.02834	0.9
87.00794	0.3
89.02339	4.9
91.05415	0.4
93.03355	0.9
95.01284	0.3
96.95906	1.4
97.02830	0.4
99.00790	1.4
101.02347	2.1
105.03349	0.5
107.04954	1.2
107.66634	0.3
108.02061	0.5
109.02901	0.3
113.02337	1.5
117.03386	1.7
118.21654	0.4
119.03437	0.8
119.04950	0.9
123.04388	0.7
123.09580	0.3
125.02308	0.5
131.03413	1.0
132.02087	1.8
133.02882	37.7
134.03752	3.6
135.04446	54.4
136.04776	2.6
137.02408	1.0
143.03391	0.3
145.02887	0.5
147.04474	0.4
149.04466	0.9
152.01068	0.3
154.79865	0.3
155.03474	0.3
160.01491	0.3
161.02390	100.0
162.02715	5.0
173.04539	0.7
175.03957	0.7
177.01868	0.4
178.02678	0.6
179.03458	31.9
180.03778	1.4
191.05585	3.2
193.05008	0.7
195.06618	0.4
207.06715	0.4
211.07584	0.3
226.94476	0.3
266.77454	0.3
271.02539	1.6
289.97391	0.3
299.01981	2.5
300.02573	0.7
301.03470	0.4
353.08777	0.9
607.24048	1.0
625.25146	31.9
626.25525	5.8
724.19714	0.4
740.70721	0.4
756.83435	0.6
757.33075	0.5
787.28284	32.8
788.28619	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	787.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40266	0.8
59.01239	3.2
61.98714	0.9
71.01260	5.2
71.36584	2.0
73.02807	1.6
78.95759	0.8
85.02815	1.9
89.02320	3.5
95.03672	0.8
96.95866	1.2
99.00750	1.1
101.02341	2.9
107.04940	1.6
110.31761	1.0
111.77882	0.8
113.02338	1.6
117.03341	1.8
125.02386	0.9
131.03404	0.9
132.02084	2.2
133.02881	34.8
134.03723	4.2
135.04453	55.4
136.04733	2.5
137.02339	0.9
139.60626	0.8
161.02386	100.0
162.02737	4.0
175.03903	1.2
179.03455	32.9
180.03799	1.5
191.05557	2.6
271.02466	1.7
280.79471	0.8
355.75409	0.9
625.25092	33.5
626.25421	5.4
694.72467	0.9
701.62054	1.0
703.09442	1.0
787.28204	37.2
788.28827	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	786.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35417	0.0
59.01260	0.1
61.98719	100.0
62.98425	0.2
71.01284	0.1
71.61262	0.1
78.95833	0.1
79.95637	0.2
80.96408	0.7
82.96014	0.1
85.02839	0.1
94.97998	0.2
106.98002	0.0
127.38870	0.0
134.97490	0.1
148.99084	0.0
162.52629	0.0
164.98604	0.1
198.81601	0.0
209.11836	0.8
210.12183	0.5
211.12238	0.3
212.12688	0.1
225.00763	0.2
227.12996	0.1
228.13377	0.1
237.40085	0.1
253.09427	0.1
254.09865	0.1
266.39911	0.1
277.21762	0.5
278.22122	0.4
279.22559	0.2
289.18323	0.1
290.18518	0.1
531.58801	0.1
536.72778	0.0
544.21240	0.0
622.66486	0.0
786.38336	0.6
786.50793	0.1
787.38843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72260	0.3
59.01266	0.5
59.55138	0.2
61.82997	0.2
66.09858	0.2
70.51441	0.6
70.51829	0.4
71.01288	0.3
89.02354	0.5
91.05438	0.5
93.03355	2.2
96.95909	0.2
104.88096	0.2
117.03377	11.1
118.03699	0.3
119.04945	100.0
120.05280	4.6
121.02875	0.4
132.05760	0.3
133.02870	1.2
135.04428	1.1
145.02888	54.4
146.03221	2.6
147.04486	0.3
157.06546	0.3
159.08096	2.2
161.02367	1.8
179.03482	0.7
202.08737	1.0
210.42613	0.2
285.16241	0.3
299.14230	0.3
313.19354	1.3
353.18781	1.9
356.19897	3.5
357.20294	0.3
373.22559	0.6
380.84396	0.3
396.19611	0.4
399.15530	0.5
399.20435	7.4
400.20850	1.1
459.23013	1.7
502.23682	3.2
503.23822	0.6
519.26300	1.3
545.24182	14.1
546.24506	2.7
575.16803	0.3
623.01886	0.3
623.23846	0.9
639.32068	3.9
640.32294	1.0
665.29950	26.8
666.30377	7.0
682.81757	0.6
756.33466	0.9
785.35822	33.3
786.36157	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	785.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69666	0.3
59.01262	0.6
69.41273	1.6
69.41697	1.2
71.53721	0.3
75.00748	0.4
75.05083	0.3
81.84230	0.3
91.05422	0.3
93.03352	2.1
98.20504	0.6
113.02371	0.3
117.03377	9.8
118.03709	0.6
119.04946	100.0
120.05267	4.2
121.02872	0.3
132.05772	0.4
132.19522	0.3
145.02888	61.1
146.03226	3.0
159.08095	2.1
160.05351	0.3
196.23370	0.3
200.07164	0.4
202.08643	1.0
247.14723	0.3
285.16037	0.4
313.19226	1.4
353.18854	3.0
356.19858	4.0
373.22516	0.5
396.19269	0.5
399.20438	8.7
400.20816	1.0
459.22946	2.7
467.93185	0.3
502.23660	3.3
503.24185	0.4
517.13379	0.3
519.26324	1.4
520.27869	0.3
545.15765	0.7
545.24213	14.6
546.24377	2.6
609.87311	0.3
639.32056	3.7
640.32343	0.6
665.29926	25.9
666.30310	6.8
755.34412	0.7
755.83252	0.5
756.34253	0.4
785.35699	33.3
786.36023	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	785.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38730	0.1
59.01265	0.1
61.98705	0.1
66.21013	0.1
67.11757	0.0
70.22210	0.1
71.01267	0.2
78.95802	0.3
79.95631	2.9
81.03374	0.1
81.55987	0.1
85.02831	0.1
89.02351	0.1
94.85982	0.1
94.97969	0.1
96.95918	100.0
97.95843	0.2
111.04436	0.1
113.94797	0.1
123.08118	0.1
125.02361	0.4
138.08565	0.1
151.07593	0.9
154.39958	0.1
157.50241	0.1
191.05579	0.1
191.07132	0.1
195.06616	5.8
196.06969	0.3
205.08611	0.1
210.73613	0.1
229.30634	0.1
268.32532	0.1
329.17661	3.3
330.18088	0.3
357.12015	0.7
462.74271	0.1
464.79269	0.1
576.15997	0.1
687.30341	1.1
688.30603	0.3
785.27045	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.8
58.00475	0.7
59.01265	13.8
60.99197	4.4
61.86765	0.3
61.98707	0.5
63.86570	0.4
65.03849	1.3
67.01779	13.6
68.02126	0.4
69.03347	3.1
71.01273	15.3
71.04893	0.4
71.61020	0.6
72.99212	1.6
73.02838	4.6
75.00758	0.5
78.95803	1.2
81.03363	3.5
83.01276	1.0
83.04922	3.0
85.02847	8.2
85.20328	0.4
87.00774	22.7
88.01109	0.5
89.02341	14.5
93.03362	90.8
94.03696	2.7
95.01307	0.9
96.95947	1.1
96.96879	1.1
97.02847	0.6
99.00785	15.4
99.04420	0.5
100.01138	0.4
101.02349	6.3
107.01331	0.8
109.02868	1.5
111.00802	0.5
111.04436	11.8
112.04762	0.7
113.02374	2.5
115.03909	0.9
117.03398	0.5
119.03423	1.4
119.04948	8.9
123.04408	0.4
125.02383	0.6
127.03949	1.4
129.01865	4.2
130.95317	0.3
131.03438	2.3
133.02878	0.4
134.03729	0.4
135.11745	0.3
137.02362	1.8
145.02896	1.1
147.08105	28.0
148.08464	1.3
149.04486	2.4
151.00313	2.0
151.07552	0.5
152.01057	0.7
153.01982	0.6
155.03459	5.4
159.04497	0.5
161.04553	0.7
163.03960	7.8
169.01424	0.4
173.04536	22.3
174.04858	0.7
175.04039	0.6
179.03468	0.6
183.04469	0.8
191.05600	74.8
192.05994	3.0
193.05051	0.8
203.03630	0.4
227.03510	0.5
251.07272	0.4
254.04419	0.4
255.03047	7.0
256.03479	0.9
257.04501	0.8
282.99460	0.8
283.02557	10.9
284.03262	4.2
285.04202	3.5
286.04803	0.4
299.16605	2.6
315.05191	6.1
316.05600	0.5
317.17685	0.5
319.36050	0.4
321.04025	0.4
337.09381	18.7
338.09869	2.4
416.98166	0.4
457.13815	0.6
463.18231	1.7
479.23068	1.5
495.13159	0.4
593.16895	0.8
611.27289	10.7
612.27960	2.2
623.13953	1.1
785.32605	100.0
786.32880	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	785.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07428	0.3
59.01274	0.5
61.98730	0.5
63.61686	0.3
66.00988	0.4
70.35925	0.3
71.38851	0.7
75.50790	0.3
77.03851	0.4
80.26308	0.3
85.02872	0.5
91.01802	0.4
93.03375	0.7
108.90134	0.3
120.02081	0.6
121.02883	100.0
122.03209	3.3
130.97939	0.3
136.01576	0.4
147.04518	0.3
165.01904	2.3
180.05838	0.3
181.06592	2.8
191.03484	2.3
191.05608	2.9
197.11787	1.4
201.64728	0.3
209.04561	70.7
210.04890	3.9
222.38231	0.3
225.05577	2.8
226.05806	0.3
273.47324	0.3
291.19543	0.3
309.20963	0.3
313.07300	4.7
314.07697	0.4
357.06232	1.6
401.08875	10.7
402.09152	1.2
464.07016	0.3
520.77618	0.3
549.10248	0.4
575.12024	0.4
581.76215	0.3
785.17310	1.8
786.18176	0.4
787.74829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00496	0.2
59.01265	3.1
59.89590	0.2
60.00018	0.1
61.98714	0.7
63.57094	0.1
71.01267	2.3
73.02835	0.3
80.02573	1.1
80.96414	1.3
81.03339	1.0
83.01308	0.4
83.04919	4.0
84.02066	0.4
85.02844	0.6
87.00787	0.5
89.02335	1.7
93.03366	0.2
94.97982	0.3
95.01270	0.2
95.04935	0.6
97.06484	0.2
98.19833	0.4
99.00774	0.2
101.02331	1.9
102.02669	0.2
109.06535	0.2
113.02357	1.2
119.03403	0.5
125.06055	0.4
135.08084	0.5
143.03386	0.3
147.11714	0.2
161.04480	0.9
163.11256	3.3
164.61542	0.2
164.98589	0.2
165.12822	2.3
179.05579	0.4
181.12283	0.5
189.74884	0.1
191.10838	1.0
209.11829	100.0
210.12189	6.2
210.14246	0.3
225.00822	0.3
227.12901	11.5
228.13219	0.5
233.22919	0.1
235.08282	1.4
253.09343	6.8
254.09697	0.3
259.20792	0.2
277.21786	49.5
278.22131	5.0
284.13400	0.2
329.70029	0.2
445.20798	2.4
446.20789	0.2
463.21902	0.4
513.31201	0.3
783.42181	1.4
784.42859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.3
58.51387	0.3
59.01263	3.9
59.89580	0.3
61.98724	0.4
63.60408	0.3
71.01266	3.3
71.06030	0.4
71.06364	0.6
73.02837	1.0
74.66656	0.3
80.02552	0.6
80.11996	0.3
80.96416	1.7
81.03339	0.6
83.01279	0.6
83.04913	2.8
85.02825	0.6
87.00780	0.9
89.02318	1.5
95.01257	0.3
101.02338	2.7
113.02332	1.7
119.03450	0.5
125.05962	0.4
145.05014	0.8
161.04498	1.5
163.11215	2.0
165.12785	1.7
166.84082	0.3
179.05498	0.4
191.10764	0.9
209.11821	72.7
210.12166	4.6
225.00620	0.5
227.12898	10.4
228.13167	0.6
235.08247	6.8
235.71736	0.3
253.09323	8.4
254.09738	0.4
259.20618	0.3
275.20236	0.4
277.21786	100.0
278.22153	10.0
389.01221	0.3
396.45145	0.3
427.19562	0.5
445.21185	0.6
450.99777	0.3
459.54004	0.3
472.74017	0.3
513.30988	0.9
783.41986	1.6
784.42291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	9.9
61.98720	14.9
63.96125	0.6
69.03341	0.5
69.36907	0.3
70.87556	0.5
71.01277	5.7
73.02837	1.2
78.95771	0.3
78.98483	2.3
79.95625	4.2
80.02569	0.9
80.96412	26.2
81.03359	1.3
82.96016	0.6
83.01257	0.6
83.04921	3.6
84.02065	0.6
85.02850	1.9
87.00776	1.4
89.02347	1.8
94.97985	6.3
95.01305	0.4
95.04944	0.6
97.02869	0.9
99.00809	0.5
101.02352	3.6
106.97993	1.3
109.06590	0.3
113.02355	1.5
119.03354	0.4
122.97487	1.0
125.02379	1.2
125.06010	0.4
127.03903	0.4
134.97536	2.1
136.99062	0.4
148.99104	2.2
149.04410	0.4
152.98582	1.6
161.04465	1.0
163.11249	2.9
164.98592	4.6
165.12799	1.5
179.05612	0.4
181.12320	0.6
191.10799	0.8
206.99664	1.1
207.10315	1.0
208.10660	0.3
209.11833	100.0
210.10284	0.6
210.12170	6.7
225.00771	6.8
225.11401	1.3
226.00987	0.4
226.11630	0.8
227.10748	0.7
227.12907	12.0
228.13080	0.5
235.08295	2.7
253.09329	7.9
254.09596	0.4
255.23318	0.6
277.21793	65.4
278.22165	8.0
279.22534	0.4
287.16620	1.2
445.20786	3.0
463.21231	0.7
483.15701	0.4
513.30792	0.5
527.17871	0.7
723.42493	1.2
739.39355	1.7
783.42181	29.6
784.42419	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	783.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01263	3.2
61.98722	23.1
63.96132	1.8
66.15598	0.6
69.03339	0.5
71.01273	7.9
71.32269	1.3
73.02842	1.9
78.95786	1.3
78.98489	6.2
79.95629	14.0
79.96100	1.0
80.96415	78.2
81.03371	0.6
82.95977	1.1
85.02856	3.2
87.00784	2.7
94.97995	16.9
96.95914	1.8
96.97605	0.5
97.02851	1.4
101.02364	3.1
106.98022	3.8
109.06531	0.6
114.93321	0.7
122.97496	3.8
125.02374	3.9
127.03912	0.8
134.97527	5.0
136.99097	1.5
148.99080	6.7
152.98579	7.4
164.98598	12.5
201.11359	1.3
206.99649	2.3
207.10159	1.6
208.10594	0.8
209.11824	4.2
225.00764	23.4
225.11389	0.6
226.00928	1.2
255.23334	1.3
257.45200	0.5
277.21811	8.6
278.22137	2.5
279.22653	0.5
283.04971	0.7
366.93338	0.7
403.87653	0.6
482.20206	0.7
483.15717	1.7
527.17572	1.0
537.27472	1.2
589.48779	0.6
739.39697	4.7
740.40009	0.8
765.40924	0.8
783.42236	100.0
784.42566	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	783.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.3
57.03337	0.4
58.00496	0.3
59.01268	10.6
61.98721	5.0
63.96122	0.4
68.54247	0.2
69.03338	0.4
69.10052	0.2
71.01276	4.6
73.02834	1.4
78.95780	0.3
78.98485	1.4
79.95634	2.6
80.02572	0.6
80.96416	14.7
81.03353	0.8
83.01317	0.4
83.04932	2.8
84.02111	0.3
85.02855	1.5
87.00777	1.6
87.49599	0.2
89.02361	2.0
93.03343	0.2
94.97988	3.4
95.01282	0.3
95.04902	0.4
96.95914	0.2
97.02860	0.8
99.00770	0.6
101.02361	3.8
106.98000	0.9
109.06512	0.4
113.02365	1.8
119.03429	0.4
121.54385	0.2
122.97504	0.7
125.02390	1.1
125.06033	0.3
134.97528	1.1
135.08093	0.6
136.99049	0.4
143.03452	0.3
145.05052	0.5
148.99091	1.2
152.98596	1.3
161.04550	1.5
161.09659	0.4
163.11255	2.5
164.98613	2.6
165.12830	1.2
177.79514	0.2
179.05551	0.6
181.12389	0.4
185.22635	0.2
189.12804	0.4
191.05627	0.4
191.10728	0.8
199.13474	0.2
201.11424	0.3
206.99730	0.8
207.10286	0.7
208.10597	0.6
209.11844	72.6
210.12177	4.8
225.00780	5.1
225.11342	0.9
226.01083	0.3
226.11639	0.6
227.00343	0.2
227.12912	9.4
227.15163	0.5
228.13226	0.6
233.22935	0.2
235.08276	5.7
236.08711	0.3
243.17494	0.2
253.09351	8.6
254.09802	0.4
255.23405	0.3
259.20651	0.3
269.15656	0.5
277.21805	100.0
278.22141	11.3
279.22577	0.5
287.16580	1.3
427.19699	0.4
445.20941	0.9
463.20795	0.3
483.15613	0.4
513.31018	1.5
527.17993	0.2
541.51294	0.2
586.35168	0.2
598.00604	0.2
723.42639	0.7
739.39728	0.6
740.39484	0.4
783.42242	18.2
784.42767	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	781.476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	2.3
57.03344	2.1
58.00481	1.4
59.01266	32.2
60.01595	0.4
60.99191	1.3
61.98719	18.0
67.01807	0.3
68.99714	0.4
69.03350	1.1
70.84848	0.3
71.01273	41.1
71.27013	0.5
71.27371	0.4
72.01607	0.5
72.09815	0.3
72.99200	3.1
73.02838	6.3
75.00769	1.1
78.95802	0.7
81.03382	0.6
83.01278	7.1
83.98895	0.3
85.02846	15.8
85.99985	0.7
86.03172	0.5
87.00773	7.2
88.98702	6.1
89.02344	16.0
93.03362	0.5
95.01290	4.1
96.95931	1.8
97.02853	2.4
99.00797	4.2
101.02351	28.7
102.02697	0.8
111.00800	1.2
112.01618	0.4
112.17542	0.3
113.02360	18.6
114.02720	0.5
119.03422	2.9
121.89021	0.3
124.56599	0.3
125.02369	3.4
125.99963	0.3
129.01924	0.4
131.03435	2.8
133.02901	0.4
134.03667	0.6
135.04449	0.7
137.02390	0.5
143.03424	2.1
149.02577	0.3
161.02374	1.0
161.04495	8.9
162.04781	0.4
165.05350	0.4
178.19864	0.3
179.03419	0.6
179.05563	1.4
191.05582	1.0
208.03685	0.3
209.11731	0.3
221.06709	1.4
222.53178	0.4
223.06190	0.5
259.23431	0.3
260.49033	0.3
287.71988	0.3
313.18198	0.6
355.35257	0.3
389.20859	0.6
389.71008	0.4
397.13504	0.3
457.37003	0.8
619.42426	0.8
690.32886	0.4
779.42792	0.6
780.43726	0.4
781.47662	100.0
782.47974	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	1.0
58.98663	0.5
59.01267	13.4
71.01276	4.5
71.04915	0.5
71.57887	0.9
73.02851	1.3
78.95792	7.8
78.98497	1.5
79.95639	3.4
80.96411	14.8
81.03342	0.7
81.78790	0.5
83.04935	0.7
85.02846	1.9
87.00762	1.9
89.02332	1.6
92.37817	0.5
94.97988	2.9
95.01295	0.6
95.04874	0.6
96.96849	1.4
97.02844	4.4
97.06490	0.5
99.00779	8.5
101.02348	3.3
109.06482	1.5
110.03618	0.9
113.02337	1.0
116.91035	0.5
118.18992	0.6
119.03355	0.6
122.97591	0.6
123.04417	0.5
123.08069	0.7
125.02369	1.1
125.09627	1.7
131.54048	0.5
134.97519	1.2
135.04529	0.6
135.08096	1.1
142.02678	1.6
148.99081	1.4
152.98491	1.1
152.99571	1.8
161.02414	0.9
161.04538	1.1
163.11230	5.7
164.98564	2.2
171.10260	0.5
176.60458	0.7
179.03328	0.5
179.10724	0.9
181.12305	8.6
191.05553	2.5
199.32205	0.5
206.99673	1.0
207.10252	27.3
208.10583	1.5
209.11781	2.7
225.00716	4.7
225.11330	50.9
226.11655	2.9
227.12926	1.2
235.08223	4.0
241.01205	1.6
243.12386	6.3
247.63489	0.5
253.09360	3.5
255.23376	3.0
277.21783	100.0
278.22131	8.5
293.21298	1.2
382.74799	0.6
390.60461	0.6
397.98367	0.5
405.17999	0.6
443.19412	5.9
459.14798	0.5
461.20325	6.8
513.30890	0.8
612.29962	0.7
719.46710	0.6
721.41870	23.7
722.42078	3.1
760.28680	0.7
781.40906	19.3
782.41522	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	781.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	2.4
56.01057	0.5
57.03346	2.3
58.00487	1.7
59.01269	30.7
60.99186	1.1
61.98721	20.0
69.03341	1.2
71.01275	35.5
71.57836	0.5
72.01593	0.6
72.99205	3.1
73.02839	6.3
75.00759	0.8
78.95810	1.4
81.03378	0.4
83.01289	6.5
85.02847	16.5
85.99989	0.5
87.00782	5.9
88.98704	5.6
89.02344	14.2
89.47534	0.4
93.03381	0.6
95.01292	4.1
96.95904	2.5
97.02862	2.8
99.00778	4.4
101.02353	27.0
102.02706	0.6
109.02889	0.4
111.00803	0.8
111.36414	0.4
111.82782	0.4
112.01591	0.5
113.02357	15.3
114.02692	0.7
118.13055	0.4
119.03419	2.8
119.04949	0.4
125.02394	3.2
129.01868	0.6
131.03433	2.9
134.03624	0.6
135.04474	0.9
137.02391	1.1
139.03860	0.5
143.03458	2.5
151.00345	0.5
159.02913	0.7
161.02429	0.9
161.04501	8.2
179.03450	0.7
179.05586	1.2
191.05579	1.4
201.04173	0.4
208.03714	0.7
209.11940	0.5
221.06680	1.3
246.51463	0.5
259.86026	0.4
313.18164	0.7
331.19321	0.5
389.20761	0.7
597.56946	0.5
619.42474	1.0
631.38019	0.5
779.42859	0.5
780.42627	0.6
781.47705	100.0
782.48016	25.8
782.62939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72897	0.8
57.64883	0.9
59.01263	22.1
61.98722	2.0
70.76344	2.8
71.01268	7.9
72.75945	0.9
72.87737	1.0
72.99186	1.0
74.38709	0.9
78.95797	2.7
81.03344	3.0
83.01288	1.3
83.04916	3.0
85.02850	1.3
87.00776	1.0
89.02329	4.8
93.03394	1.2
97.02853	6.1
99.00779	1.4
101.02317	5.7
109.06497	38.3
113.02389	2.3
113.80440	0.9
121.06495	2.9
125.02478	0.9
135.08081	4.3
136.05177	1.8
142.02608	2.1
152.99576	1.7
158.76585	1.0
161.04503	1.8
161.09683	2.0
163.11237	21.4
179.05632	1.1
181.12334	3.3
184.05270	0.9
186.82892	1.0
189.09192	3.8
207.10257	100.0
208.10556	5.5
209.11914	1.5
225.11336	39.3
226.11665	2.1
235.08238	3.0
253.09344	16.8
255.23074	1.7
275.19897	1.2
277.21786	80.2
278.22147	7.4
281.14166	1.1
299.14944	1.4
366.42325	1.0
407.58505	1.3
423.32867	1.2
441.33505	1.4
443.19379	6.1
461.20425	12.5
477.36282	1.0
580.72699	1.2
703.40662	1.5
721.41919	35.7
722.42493	6.0
781.41803	3.2
782.43201	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21766	0.1
59.01269	0.8
61.98715	0.3
62.96304	0.3
70.99393	0.2
70.99739	0.3
71.01270	0.6
73.02843	0.2
78.95796	57.2
85.02834	0.3
87.00776	0.2
89.02362	0.4
90.96738	0.1
93.03351	0.6
95.96117	0.2
96.96867	47.6
99.00771	0.2
101.02360	0.3
108.85175	0.1
113.02353	0.3
119.03406	0.1
119.04955	0.3
134.03664	0.2
139.96954	0.1
160.93123	0.2
161.02376	0.2
163.03996	0.3
173.04532	0.5
191.05594	1.8
192.05780	0.1
220.52928	0.2
233.09503	100.0
234.09830	5.6
234.12199	0.2
249.08955	0.2
265.08429	0.1
267.07181	0.1
301.03397	0.2
436.49933	0.2
547.27777	0.8
670.06293	0.1
781.37787	0.6
782.39160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	48.8
63.02292	3.2
65.00201	4.7
71.01267	4.8
73.02831	2.4
78.95789	0.9
83.01286	3.4
85.02843	2.5
88.53745	0.6
89.02355	1.1
93.03363	1.1
95.01266	0.8
97.02850	0.8
98.19741	1.0
101.02350	3.6
107.01293	8.3
109.02874	0.6
109.82842	0.7
113.02355	2.4
121.02892	1.2
123.04443	1.1
125.02351	1.1
133.02913	0.9
135.04497	1.1
136.01598	4.6
147.00810	2.7
151.00305	31.7
151.03903	0.8
152.00995	2.5
161.04500	2.2
165.01836	1.0
167.03424	1.2
169.01390	2.0
171.04466	0.6
178.99823	19.2
179.03474	2.7
180.00168	0.9
187.00391	1.1
191.05540	4.1
195.02966	0.7
199.03961	4.2
201.01878	1.9
203.03529	0.8
211.03969	0.9
227.03566	3.4
227.05518	0.7
231.03003	1.7
243.03055	3.8
255.03070	2.2
256.03720	1.5
271.02542	46.7
272.03152	7.4
273.03796	0.8
298.99026	0.6
299.02023	22.3
300.02795	35.5
301.03452	8.9
331.04666	100.0
331.17657	3.8
332.05051	8.5
357.61884	0.7
363.07300	15.5
364.07498	1.5
373.18896	4.7
486.46234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.5
57.03335	0.5
57.92705	0.2
59.01261	2.6
69.03348	3.8
71.04901	0.5
71.06480	0.5
71.06811	0.3
78.95795	0.5
83.04918	2.3
97.06484	0.8
99.04420	16.7
100.04744	0.6
100.18052	0.2
111.04413	0.3
123.08088	0.9
128.04828	0.3
145.77805	0.2
147.11736	0.4
149.09669	0.5
149.13315	0.6
162.82768	0.3
165.12820	0.4
167.10742	0.3
167.14441	0.4
191.05557	0.6
195.06752	0.3
209.11888	0.3
219.17395	0.2
229.68057	0.3
248.49461	0.3
251.16528	0.4
257.19427	0.3
273.22284	1.1
275.23889	0.4
277.21820	1.1
278.22098	0.3
301.21921	2.0
317.21255	7.2
318.21646	0.7
319.22833	6.5
320.23145	0.6
335.22327	2.9
361.23920	37.7
362.24265	4.3
417.26553	100.0
418.26874	13.5
705.08282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4248
Annotation	Tragopogonoside A
Peak:m/z	Relative Intensity
55.01772	1.0
57.03327	1.3
57.35410	0.7
57.68118	0.8
58.00468	1.2
58.94515	0.8
59.01263	16.5
61.06493	0.7
61.98717	11.2
64.86340	0.8
67.01785	1.0
68.65671	0.7
68.99703	1.1
70.75823	2.5
71.01269	18.5
72.99198	2.9
73.02829	2.0
75.00763	12.5
78.95808	1.7
83.01274	1.8
85.02840	12.5
86.03142	0.7
87.00782	4.4
88.98706	2.0
89.02336	9.8
93.03363	1.2
95.01269	2.7
96.95915	3.7
97.05850	0.7
99.00783	12.8
101.02343	2.9
109.96101	0.7
113.02358	11.4
116.92798	5.8
116.97179	0.9
125.99198	1.0
127.07561	2.9
131.03458	1.8
133.02892	2.2
135.04428	1.0
137.02394	0.9
149.18533	0.8
157.01347	1.6
161.02342	2.1
187.07617	1.5
191.05612	4.4
191.07086	1.0
192.04227	1.2
195.06566	1.5
207.06535	0.9
209.08243	1.0
209.11781	1.2
215.07204	2.5
253.61610	0.9
259.54779	0.8
313.18130	2.6
331.19205	3.5
341.74414	0.9
439.32986	1.0
447.15393	1.6
453.33932	1.2
469.33246	1.4
471.35037	8.1
472.35593	1.1
553.35455	2.1
585.38080	3.4
629.37097	4.0
647.38562	1.1
779.42487	100.0
780.30823	0.9
780.42725	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	779.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
57.03346	1.5
58.00478	0.8
59.01266	16.4
60.01596	0.2
61.98717	1.3
67.01778	1.2
68.99706	1.1
71.01272	15.4
71.59858	0.3
72.99200	3.0
73.02834	0.8
75.00356	0.3
75.00764	4.1
81.60101	0.2
83.01270	2.5
85.02843	11.6
87.00784	1.5
89.02341	10.2
91.51785	0.2
93.03339	0.2
95.01289	5.3
96.01620	0.2
96.95918	0.6
97.02850	0.5
99.00782	5.2
101.02335	1.7
103.00313	0.2
106.86533	0.2
109.02838	0.2
111.00791	5.5
112.01572	0.5
113.02354	9.6
114.02690	0.2
115.00226	0.3
129.01857	1.2
130.99750	0.2
131.03413	1.4
133.02831	0.3
137.02318	0.2
139.00298	4.8
140.00653	0.2
149.04471	0.3
157.01340	1.4
179.03424	0.2
187.07574	0.3
190.87105	0.2
191.05569	1.0
196.05133	0.2
197.33766	0.2
215.07153	0.6
224.98984	0.2
257.08255	0.6
336.57278	0.2
359.96350	0.2
423.32968	0.8
424.33228	0.2
437.30768	0.6
439.32343	1.6
451.32220	0.5
453.34018	1.1
469.33331	1.2
471.35175	6.1
472.35605	1.1
499.34375	2.3
500.34567	0.4
515.33893	0.2
527.34070	0.5
553.35339	0.7
554.35535	0.2
567.37042	4.6
568.37317	0.8
585.38177	2.2
586.38153	0.4
587.36542	0.3
603.38904	0.3
647.38782	0.4
779.42407	100.0
780.42773	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	779.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.8
57.03342	1.7
58.00473	1.1
59.01264	17.2
59.53570	0.2
60.99163	0.3
61.98705	0.7
67.01776	1.1
68.99697	0.7
70.04037	0.8
71.01270	15.9
72.99200	2.8
73.02834	0.8
75.00359	0.3
75.00764	3.7
83.01276	2.3
85.02847	12.1
86.03157	0.2
87.00769	1.4
88.98702	1.5
89.02340	8.9
95.01284	5.3
96.95910	0.9
97.02825	0.4
99.00777	4.7
101.02340	1.2
111.00792	4.4
112.01587	0.5
113.02358	10.6
114.02737	0.3
115.00260	0.4
121.02908	0.3
129.01834	0.8
131.03426	0.8
133.02844	0.2
135.04463	0.3
139.00319	4.1
140.00694	0.2
149.04459	0.3
151.07578	0.3
157.01395	1.2
168.29698	0.2
168.85117	0.2
173.04492	0.4
188.30734	0.2
191.05591	1.0
244.29042	0.2
343.21719	0.2
423.28900	0.6
439.32193	1.0
451.32291	0.7
453.33966	2.4
454.33990	0.3
469.33334	1.7
470.33795	0.3
471.34866	10.0
472.35278	1.6
499.34171	1.3
500.34628	0.3
515.33643	1.0
553.35638	1.2
567.37000	4.7
568.37329	0.7
585.38074	1.7
586.38116	0.2
603.39423	0.3
647.38403	0.6
689.31860	0.4
779.42377	100.0
780.42706	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	779.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
57.03339	1.5
58.00478	1.1
59.01269	17.3
61.98721	0.5
67.01761	0.8
68.99683	0.8
71.01273	15.4
72.99206	2.7
73.02847	0.6
75.00773	3.0
81.03371	0.3
83.01288	2.5
85.02843	7.8
87.00787	1.7
89.02342	10.8
95.01283	3.4
96.95902	0.8
97.02846	0.4
99.00772	3.4
101.02363	1.9
110.45626	0.4
111.00794	3.7
112.01606	0.7
113.02368	8.3
117.01871	0.3
119.03376	0.4
128.73247	0.3
129.01901	0.7
131.03470	1.7
133.02907	0.6
135.04414	0.3
139.00320	3.5
149.04512	0.6
157.01360	0.8
161.02390	0.5
191.05573	1.0
229.17654	0.4
229.19997	0.4
230.51773	0.3
267.81061	0.3
275.09335	0.6
331.19189	0.4
420.11194	0.3
432.85056	0.3
439.32306	0.7
451.32285	0.3
453.34189	1.6
454.34583	0.4
455.35428	0.4
469.33234	1.3
471.34955	6.2
472.35287	0.8
499.34546	1.7
500.34323	0.3
515.33899	0.7
527.34082	0.3
553.35443	0.6
567.37073	3.5
568.37280	0.9
585.38129	2.6
617.40472	0.5
682.29633	0.8
779.42493	100.0
780.42853	23.1
805.77124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.8
59.01268	3.7
61.98722	1.3
63.52135	0.3
67.70600	0.3
68.99693	0.4
69.03354	0.5
70.50410	1.0
71.01272	4.8
72.42610	0.3
72.99200	1.6
73.02833	1.6
75.00764	15.0
78.95805	0.5
81.03330	0.5
83.01281	0.9
85.02849	4.5
87.00771	0.7
89.02342	1.2
93.03357	1.3
94.14346	0.3
95.01282	1.0
96.95931	1.8
96.96844	0.3
97.02855	1.1
99.00770	1.8
101.02354	2.1
107.04929	0.5
108.02077	45.0
109.02898	10.9
110.03181	0.3
111.04415	0.4
113.02366	2.3
119.04971	1.0
121.02870	0.9
122.03696	0.4
123.00807	1.1
123.04430	1.2
123.08034	0.5
125.02370	0.7
127.07575	4.0
131.03345	0.3
133.02946	0.5
134.03642	1.0
135.04457	1.4
137.02338	0.8
145.02914	0.6
147.04417	0.5
151.03972	1.8
152.01093	100.0
153.01868	6.9
157.01331	0.3
161.02412	0.6
161.04486	1.2
163.03947	5.1
165.01898	0.6
165.05432	0.4
171.10234	0.7
173.04494	0.7
175.03957	0.4
177.01891	1.6
179.03430	2.0
180.03984	0.4
181.04953	0.5
191.05562	3.6
191.07129	1.9
193.04976	0.7
194.05855	0.4
195.02911	0.5
195.22488	0.3
196.07381	0.4
205.08705	1.2
206.09285	0.4
207.02934	1.2
209.11795	1.0
221.08052	0.3
225.07649	0.4
225.59807	0.3
227.09090	0.4
251.05583	0.8
271.08246	0.7
297.06204	1.2
313.18173	0.6
315.07321	5.2
316.07706	0.4
329.17572	0.7
331.19211	2.6
332.19931	0.4
345.17105	0.9
347.18692	0.5
349.20029	0.5
357.08304	0.7
429.10449	16.1
430.10733	1.7
443.71539	0.3
447.11533	18.3
448.11908	1.8
557.18854	10.9
557.27563	0.6
558.18915	1.6
654.22162	0.4
679.35699	0.5
749.13812	0.3
749.33661	0.6
749.84705	0.4
779.31409	86.7
780.31787	18.3
780.43268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.8
59.01268	3.7
61.98722	1.3
63.52135	0.3
67.70600	0.3
68.99693	0.4
69.03354	0.5
70.50410	1.0
71.01272	4.8
72.42610	0.3
72.99200	1.6
73.02833	1.6
75.00764	15.0
78.95805	0.5
81.03330	0.5
83.01281	0.9
85.02849	4.5
87.00771	0.7
89.02342	1.2
93.03357	1.3
94.14346	0.3
95.01282	1.0
96.95931	1.8
96.96844	0.3
97.02855	1.1
99.00770	1.8
101.02354	2.1
107.04929	0.5
108.02077	45.0
109.02898	10.9
110.03181	0.3
111.04415	0.4
113.02366	2.3
119.04971	1.0
121.02870	0.9
122.03696	0.4
123.00807	1.1
123.04430	1.2
123.08034	0.5
125.02370	0.7
127.07575	4.0
131.03345	0.3
133.02946	0.5
134.03642	1.0
135.04457	1.4
137.02338	0.8
145.02914	0.6
147.04417	0.5
151.03972	1.8
152.01093	100.0
153.01868	6.9
157.01331	0.3
161.02412	0.6
161.04486	1.2
163.03947	5.1
165.01898	0.6
165.05432	0.4
171.10234	0.7
173.04494	0.7
175.03957	0.4
177.01891	1.6
179.03430	2.0
180.03984	0.4
181.04953	0.5
191.05562	3.6
191.07129	1.9
193.04976	0.7
194.05855	0.4
195.02911	0.5
195.22488	0.3
196.07381	0.4
205.08705	1.2
206.09285	0.4
207.02934	1.2
209.11795	1.0
221.08052	0.3
225.07649	0.4
225.59807	0.3
227.09090	0.4
251.05583	0.8
271.08246	0.7
297.06204	1.2
313.18173	0.6
315.07321	5.2
316.07706	0.4
329.17572	0.7
331.19211	2.6
332.19931	0.4
345.17105	0.9
347.18692	0.5
349.20029	0.5
357.08304	0.7
429.10449	16.1
430.10733	1.7
443.71539	0.3
447.11533	18.3
448.11908	1.8
557.18854	10.9
557.27563	0.6
558.18915	1.6
654.22162	0.4
679.35699	0.5
749.13812	0.3
749.33661	0.6
749.84705	0.4
779.31409	86.7
780.31787	18.3
780.43268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.3
59.01033	0.1
59.01270	1.6
60.02798	0.1
60.99193	16.6
61.98720	0.9
65.25248	0.1
69.75612	0.1
71.01271	2.9
71.29639	0.1
71.58541	0.3
72.99181	0.3
73.02813	0.3
75.00765	0.5
78.95793	0.7
81.03349	0.7
85.02844	2.8
86.03239	0.2
87.00771	0.5
88.98703	100.0
89.02335	0.9
89.99026	0.9
93.03358	0.3
95.01297	0.8
96.95924	0.5
97.02869	0.2
99.00770	0.5
101.02342	0.5
109.06489	0.5
111.04417	0.7
112.01640	0.2
113.02364	4.5
114.02702	0.4
116.92709	0.2
123.08075	0.2
125.02364	1.4
127.03878	0.2
131.03389	0.4
133.02809	0.2
135.04468	0.4
137.02367	0.4
149.02399	0.3
151.00334	0.4
151.07596	4.8
152.07927	0.3
161.02406	0.3
161.04500	0.7
179.03514	0.2
191.05545	0.7
191.07132	0.5
195.06615	23.8
196.06944	1.7
199.07591	0.2
205.08691	0.3
215.07222	0.2
227.03636	0.4
255.03090	0.6
284.03326	0.8
285.04080	1.6
331.19214	6.4
332.19553	0.7
357.11984	4.0
358.12341	0.5
439.32358	0.9
440.32556	0.7
447.09607	0.4
647.38812	0.3
679.72131	0.2
682.31366	0.2
682.81903	0.9
683.31830	0.3
689.31934	2.4
690.32629	0.5
748.32886	0.3
748.83795	3.7
749.34082	1.2
749.84863	0.4
750.35785	0.2
779.29480	0.8
779.42810	2.5
780.29773	0.2
780.43298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.5
59.01259	3.7
60.50167	0.4
61.98711	0.8
63.02281	0.7
65.00220	1.2
69.99454	2.6
78.91835	0.6
78.95793	1.1
83.01280	1.2
85.02849	1.9
87.00765	0.4
88.98724	0.6
89.02316	0.7
93.03356	1.9
93.72404	0.4
96.95920	0.7
101.02370	0.5
107.01306	2.3
109.02846	0.5
113.02332	1.2
116.92741	2.6
117.03360	0.9
125.02339	0.8
132.02130	0.5
135.00793	0.8
137.02393	0.7
143.04935	0.7
151.00314	3.8
152.01048	0.7
153.01929	0.8
156.99516	0.4
159.04485	1.2
161.02347	0.6
163.00316	2.5
165.01904	0.7
167.04932	0.5
169.01350	0.6
169.06598	0.7
171.04437	1.1
173.05995	0.8
174.03226	1.1
175.03981	0.9
178.99834	1.0
183.04501	1.4
185.06035	1.7
187.03979	2.0
189.05441	1.1
191.05579	2.1
191.07141	1.3
197.05965	1.2
199.03967	0.9
200.04794	0.5
201.05460	0.8
205.08699	1.2
211.04076	2.4
213.05585	1.4
227.03511	50.0
228.03964	3.6
229.05069	7.9
230.05391	0.7
239.03539	1.9
240.04372	0.7
241.05069	1.5
243.03094	0.8
255.03030	85.2
256.03561	11.6
257.04578	5.4
267.02951	0.6
268.03760	0.5
269.04587	1.9
281.04620	0.9
283.02545	24.3
284.03323	85.6
285.04083	100.0
286.04477	7.3
297.03986	1.0
309.04303	0.5
327.05112	2.4
331.19266	5.5
332.19559	0.7
429.08505	1.0
437.24695	0.4
447.09445	30.3
448.09705	3.6
488.10068	0.5
557.16772	21.3
558.16888	3.8
610.34485	0.5
682.81665	0.6
721.70605	0.5
748.33765	0.6
748.83948	2.4
749.33325	1.7
779.29401	75.7
780.29669	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	779.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31308	0.1
57.03325	0.2
59.01268	1.2
60.99195	16.5
61.98724	0.2
62.97442	0.1
65.00187	0.1
67.01761	0.1
70.82715	0.3
70.83083	0.2
71.01278	1.3
72.99200	0.2
73.02839	0.2
75.00785	0.2
78.95835	0.1
81.03351	0.5
83.01283	0.2
85.02866	0.9
88.98703	100.0
89.02311	0.8
89.99034	0.9
95.01298	0.5
96.95951	0.2
99.00811	0.4
101.02328	0.2
109.06499	0.3
111.00816	0.3
111.04417	0.6
113.02390	0.7
122.03671	0.5
125.02377	1.2
129.01900	0.2
139.00298	0.4
148.90923	0.1
151.00357	0.3
151.07596	4.6
152.07916	0.2
170.70154	0.1
177.05507	0.1
191.05595	0.5
191.07132	0.2
195.06615	20.8
196.06993	1.5
205.08720	0.1
215.07098	0.4
237.07684	0.2
250.94252	0.1
275.09189	0.2
284.96219	0.2
331.19260	3.3
332.19534	0.4
357.11993	3.8
358.12436	0.4
471.34836	0.4
566.93622	0.1
585.38348	0.1
659.86713	0.1
689.31897	2.8
690.32147	0.6
779.42535	8.2
780.42651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.7
61.98708	2.0
63.02280	0.8
65.00238	0.5
65.02116	0.4
75.00783	1.6
76.28674	0.4
78.95811	1.0
83.01283	0.8
84.47184	0.4
85.02840	1.6
88.98693	0.7
89.02335	0.5
93.03362	1.6
95.01279	0.8
95.69745	0.4
101.02388	0.7
107.01299	1.9
109.02870	0.9
113.02332	1.0
117.03367	0.4
120.47098	0.4
125.02357	1.0
135.00801	1.0
137.02434	0.4
143.04918	0.8
145.02904	0.5
151.00305	4.4
153.01837	0.6
159.04460	1.0
161.02606	0.5
163.00299	1.8
165.01877	0.6
168.72839	0.4
169.01398	0.4
169.06509	0.5
171.04523	0.6
173.06017	0.7
174.03186	1.0
177.16277	0.5
178.99791	1.2
182.03645	0.6
183.04485	1.4
185.06035	1.9
187.04070	2.4
189.05576	0.9
191.05508	1.1
191.07111	1.1
196.05293	0.7
197.06021	0.5
199.04002	1.4
205.08710	0.8
211.03998	2.9
212.04654	0.6
213.05586	1.7
214.02588	0.5
215.07016	0.5
227.03497	50.0
228.03877	3.6
229.05055	9.6
229.49751	0.5
230.05376	0.8
239.03574	2.1
241.05084	1.4
243.03009	0.6
255.03021	94.9
256.03537	11.8
257.04541	5.2
267.02972	0.7
268.03699	0.8
269.04510	1.2
281.04575	1.6
283.02533	26.5
284.03314	85.7
285.04074	100.0
286.01550	0.8
286.04462	8.0
287.22369	1.0
297.04239	0.7
312.62949	0.6
327.05170	2.2
329.17502	0.7
331.19089	3.6
429.08127	1.0
447.09396	25.8
448.09714	2.8
557.16791	21.3
558.17194	4.0
682.82709	1.3
683.34595	0.6
748.84766	1.6
749.35742	0.7
779.29303	78.3
780.29608	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	777.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
57.03332	0.6
59.01263	1.4
60.90065	0.4
65.00188	0.4
69.03342	0.6
69.03965	0.4
69.23866	4.2
71.01270	4.2
71.04910	3.1
72.99196	1.0
73.02838	1.0
83.01291	0.6
85.02829	3.5
86.01612	0.4
87.00790	0.5
87.22318	0.4
89.02343	0.6
93.03356	1.0
95.01299	1.2
97.02856	1.7
99.00773	1.0
101.02341	1.6
101.34115	0.4
107.04942	0.8
108.02082	48.7
109.02893	14.2
110.03182	0.5
113.02409	2.1
119.04942	0.4
121.02854	1.5
123.00829	0.7
123.04457	0.7
123.08091	2.1
125.02370	0.7
127.07592	3.6
133.02869	1.2
134.03664	1.2
135.04422	1.8
137.02373	0.7
137.06004	0.4
146.85002	0.3
149.02353	0.5
149.59001	0.3
150.03101	0.7
151.00302	0.5
151.03931	1.9
152.01094	100.0
153.01845	7.1
161.02348	1.1
161.04538	1.3
162.03241	0.3
163.03961	5.6
163.05241	0.8
165.01889	0.5
165.05533	0.4
175.04045	0.8
177.01900	1.7
177.05486	0.5
178.02658	0.4
179.03488	2.3
180.84177	0.3
184.18976	0.4
189.09175	3.1
191.03859	0.4
191.05591	2.6
191.07115	0.7
195.02733	0.5
195.06888	0.3
205.08719	0.8
207.03006	1.3
209.08070	0.4
209.30188	0.5
219.13902	0.6
227.03410	0.4
245.11783	0.6
251.05609	1.6
263.12888	0.8
271.08377	0.7
297.06277	1.1
299.02142	0.7
300.02713	0.5
315.07288	6.1
316.07599	0.4
329.17554	1.5
347.18668	1.2
357.08221	0.8
375.59064	0.4
429.10471	15.5
430.10663	1.5
447.11536	21.8
448.11780	2.2
468.75577	0.4
481.66409	0.5
557.18927	10.2
558.19086	1.5
602.13599	0.4
777.29901	76.0
778.30261	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	777.3
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.2
59.01254	0.5
60.99195	16.5
61.98704	0.3
70.11193	0.1
70.11469	0.6
71.01270	0.3
75.00769	0.2
81.03348	1.0
81.32000	0.1
81.77609	0.2
83.01272	0.3
84.33605	0.1
85.02840	0.4
88.98702	100.0
89.99043	1.2
93.36084	0.1
99.87138	0.1
101.02357	0.2
102.55155	0.1
107.01344	0.1
109.06504	0.6
111.04418	0.9
113.02349	0.1
122.03660	0.3
123.08088	1.0
125.02372	2.0
149.02357	0.2
151.00304	0.4
151.07591	7.8
152.07889	0.4
161.02357	0.1
177.05568	0.3
191.05534	0.3
191.07115	0.7
195.06613	33.0
196.06963	2.0
197.07220	0.2
205.08685	0.6
219.06705	0.3
221.08350	0.2
237.07805	0.2
255.03091	0.2
285.04025	0.2
329.17654	12.8
330.18002	1.9
331.19220	0.7
357.11963	2.6
358.12347	0.3
431.03293	0.2
614.92883	0.1
682.31665	0.2
687.30383	4.4
688.30530	1.0
748.33600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	12.4
61.98735	10.1
64.41687	3.5
64.90211	4.2
66.55602	4.0
70.03235	3.8
71.01283	10.3
71.58913	6.1
71.59304	4.3
78.95820	8.8
80.96409	9.1
88.29153	3.9
89.02377	4.4
109.06519	7.7
120.27808	4.3
124.21185	4.9
125.05121	4.3
135.18790	4.7
139.38419	4.1
140.14326	4.0
152.99533	4.2
163.11324	4.2
171.10220	21.9
173.50993	4.3
182.19675	4.9
191.05608	9.9
199.09760	31.6
207.10252	43.9
224.73917	4.1
225.11372	33.6
253.09340	15.1
277.21802	100.0
278.22141	9.2
435.18777	8.7
443.19263	15.8
461.20447	16.0
695.40265	63.6
696.41162	12.8
721.42029	50.0
722.42310	10.6
775.40063	30.2
776.40887	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	777.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.1
67.01745	0.2
69.03346	0.3
70.62167	0.5
71.01276	0.7
73.02844	0.4
74.71524	0.2
78.41293	0.2
81.03361	0.7
84.55598	0.2
85.02857	0.7
87.00771	0.5
89.02343	0.2
89.03860	1.5
93.03382	1.3
95.01250	0.2
96.95925	0.5
99.04431	0.6
101.02326	0.2
103.03960	0.2
106.04149	0.3
108.02053	0.3
109.02904	0.2
111.04450	0.5
113.02398	0.6
117.03381	6.5
118.03697	0.2
119.04935	1.0
119.96554	0.2
121.02859	0.3
123.04425	0.3
132.02109	0.8
133.02888	3.1
134.03668	66.7
135.03978	2.7
136.01636	0.4
137.02388	1.8
138.01909	0.3
139.03975	0.5
143.04980	0.3
145.02928	0.3
147.04489	0.5
147.73051	0.2
148.05186	0.4
149.02469	0.2
149.06029	7.1
150.06366	0.4
151.03946	0.6
155.03470	0.4
156.08134	0.2
159.04425	0.5
160.01628	4.6
160.05243	0.9
161.02303	0.4
161.06047	1.1
163.03973	0.7
165.05524	0.3
173.04524	1.2
173.05937	0.3
175.03966	7.9
175.07487	0.3
176.04515	0.6
177.01939	1.0
178.02655	1.1
179.03416	0.2
189.05507	0.4
190.06302	0.4
191.05577	4.0
191.07141	0.2
192.05898	0.4
193.05038	100.0
194.05377	5.8
201.05647	0.3
202.06317	0.3
204.04224	0.5
205.88945	0.2
211.07640	0.7
220.07425	0.7
235.09785	0.2
264.06424	3.7
279.08801	27.9
280.09183	1.9
327.08829	0.6
328.09058	0.2
337.09384	0.5
337.59769	0.3
339.10913	11.2
340.11157	1.0
357.09741	0.2
492.63522	0.3
518.69830	0.2
579.16650	0.3
579.66370	0.9
580.16516	0.3
580.67169	0.3
776.65558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	29.4
63.82053	0.4
66.94741	0.3
69.66241	2.5
71.01270	7.9
72.99200	0.9
73.02785	0.4
74.73819	0.4
83.01282	0.4
85.02832	1.3
89.02329	5.2
93.03340	0.6
96.71211	0.4
96.95906	0.8
101.02351	5.1
113.02357	2.7
119.03413	2.4
121.35065	0.4
135.04440	0.5
146.13762	0.4
147.08081	0.6
151.60327	0.4
154.67461	0.4
163.11243	21.1
164.11566	1.0
176.72978	0.5
191.05568	1.3
207.10326	2.0
387.16690	100.0
388.17065	8.4
395.90793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66265	0.2
57.03338	0.2
58.00493	0.6
59.01267	36.4
60.01592	0.4
67.46292	0.2
70.54917	0.2
71.01271	9.8
71.58730	0.3
72.99200	1.0
73.02839	0.3
83.01283	0.9
85.02843	2.5
86.03156	0.2
87.00778	0.3
89.02338	7.2
93.03364	0.3
95.01309	0.6
95.51679	0.2
96.47113	0.2
96.95919	0.9
99.00768	0.3
101.02342	5.9
105.09354	0.2
109.06490	0.4
113.02359	2.9
119.03421	3.2
149.04482	0.2
157.99986	0.2
163.11234	3.7
191.05565	1.0
207.10248	7.9
208.10590	0.7
220.66753	0.2
267.07324	0.4
385.11642	0.4
387.16696	100.0
388.17014	9.2
389.17459	0.4
617.25134	0.2
802.32294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57738	0.2
58.00490	0.6
59.01267	26.7
60.01607	0.4
70.58025	0.2
71.01271	7.6
71.56969	0.3
72.99196	0.8
81.75981	0.2
83.01281	0.5
85.02840	1.6
87.00790	0.3
89.02341	5.8
95.01294	0.7
101.02352	4.9
113.02346	2.7
119.03421	2.2
123.04433	0.3
125.02393	0.4
129.79147	0.2
163.11232	3.2
167.03456	1.1
191.05591	0.8
207.10246	6.0
208.10619	0.4
211.06160	0.3
243.05139	0.4
363.71429	0.3
387.16699	100.0
388.17038	11.2
475.30954	0.3
734.37042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38725	0.2
57.03345	0.7
58.00486	0.7
59.01265	46.3
65.00211	0.4
69.03341	0.9
69.58112	1.8
71.01270	15.4
72.99194	0.4
73.02837	15.2
75.00763	0.4
79.01770	0.2
79.95629	0.7
81.03346	4.4
83.01277	5.9
85.02840	2.4
85.06498	0.6
87.00800	0.4
87.04442	0.4
87.91266	0.2
89.02342	4.5
93.03370	0.6
95.01286	0.7
95.04957	0.6
96.95914	18.5
97.02856	0.9
99.00772	0.3
101.02348	17.0
102.02714	0.4
107.01299	0.4
109.02888	0.4
109.06493	1.8
111.04427	3.9
112.81242	0.2
113.02367	5.4
113.80323	0.2
119.03415	2.7
121.02900	0.4
122.03627	1.4
123.04423	0.7
123.08077	0.3
125.02377	6.5
127.07606	0.5
131.01335	0.4
131.03436	1.8
135.04445	0.8
139.03958	0.5
143.03438	2.0
146.27644	0.2
149.02480	1.6
149.04491	4.1
151.00314	1.0
151.07588	38.7
152.01143	0.8
152.07938	2.4
153.05528	0.4
155.03465	0.5
161.02383	0.8
161.04507	7.5
165.05531	0.9
165.09079	0.3
167.03505	0.4
167.51537	0.3
173.04494	0.7
175.00330	0.7
177.05600	0.7
179.03403	0.9
179.05717	0.6
179.07126	1.2
191.05731	1.3
191.06992	1.4
191.19749	0.2
193.08688	0.4
194.05829	0.5
195.06607	100.0
196.05170	0.3
196.06955	5.6
201.05548	0.4
203.05592	0.9
207.06642	0.8
208.07405	0.5
209.08162	2.5
219.06625	30.4
220.06918	1.4
221.06619	2.4
228.32214	0.2
237.07701	9.9
238.08047	0.6
249.07713	3.3
250.08066	0.4
261.07751	0.3
265.63998	0.3
267.08786	0.4
297.09918	1.0
313.16635	1.0
331.17691	2.1
339.10965	0.6
353.09052	0.3
357.11990	54.0
358.12335	6.0
373.18735	6.0
374.18723	0.6
387.72858	0.3
486.19528	0.3
515.11926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.3
57.03337	0.6
58.00491	0.5
59.01263	100.0
60.01596	1.2
65.00211	0.4
66.33311	0.2
69.03331	0.5
71.01269	12.0
71.14819	0.2
71.56617	0.2
72.01599	0.2
72.99210	0.6
73.02833	8.8
74.03136	0.2
74.18848	0.2
75.00748	0.3
78.95792	3.0
81.03338	2.4
83.01277	3.7
85.02845	2.8
85.06474	0.2
87.00792	0.8
87.04409	0.3
89.02337	4.7
93.03378	0.2
95.01303	0.8
96.95928	0.3
96.96870	2.1
97.02836	0.5
99.00763	0.4
99.04398	0.3
101.02343	10.4
107.01318	0.3
108.02113	0.6
109.02888	0.4
109.06467	1.3
111.04428	2.4
113.02357	6.6
119.03403	1.8
119.04901	0.2
122.03664	0.7
123.04461	0.3
125.02363	5.6
125.03247	0.4
126.02766	0.2
131.03452	0.7
133.02806	0.2
134.28963	0.2
135.04401	0.3
143.03453	1.5
146.03687	0.2
149.02376	0.4
149.04491	1.6
149.06000	0.3
149.09697	0.4
151.00322	1.1
151.07585	22.0
152.01091	0.6
152.07941	1.0
153.01859	0.3
153.05501	0.3
155.03400	0.5
161.02379	0.5
161.04507	4.6
161.05995	0.5
165.04047	0.2
165.05605	0.2
177.05554	0.9
179.03441	0.5
179.05559	0.9
179.06996	0.2
191.05606	1.0
191.07149	0.3
195.06602	98.1
196.06952	6.0
197.07248	0.3
203.05536	0.3
219.06602	0.4
221.06747	1.0
221.77774	0.2
233.09518	1.8
237.07710	0.7
295.06137	0.3
313.16586	1.8
331.17667	3.3
357.11969	16.7
358.12357	1.5
373.18729	15.0
374.19104	1.5
429.41766	0.3
437.67905	0.2
447.11026	0.2
492.49219	0.3
512.37250	0.2
626.19830	0.2
706.81396	0.2
718.97571	0.2
775.34412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00503	0.2
59.01265	6.1
69.32136	1.7
71.01271	4.2
72.99194	0.4
73.02834	1.2
73.81001	0.2
75.00734	0.2
78.95795	2.4
83.01283	0.3
85.02864	0.9
86.86367	0.2
87.00784	0.4
89.02336	5.6
89.03865	0.2
93.03349	0.3
95.01332	0.2
95.04932	0.2
96.95921	0.6
96.96860	1.6
97.02857	0.3
99.00774	1.5
101.02345	2.9
105.03367	0.3
106.21819	0.2
107.04946	0.3
108.02074	1.8
109.02895	0.4
113.02358	1.6
117.03385	1.4
119.03461	0.9
122.05096	0.2
122.06035	0.5
123.04459	0.3
124.39720	0.2
125.02374	0.3
131.03415	0.7
132.02106	1.0
133.02879	27.4
134.03735	1.5
135.04446	21.1
136.04756	0.9
137.02356	0.5
138.05589	0.2
149.04488	1.4
151.99925	0.3
152.01086	3.5
152.07117	0.8
153.01796	0.3
160.01508	0.2
161.02388	100.0
162.02728	4.0
163.03944	0.3
173.04521	0.3
177.01794	0.2
179.03462	12.2
180.03821	0.7
191.05606	2.4
192.06537	0.6
193.06941	0.4
195.06604	0.5
210.45924	0.2
233.09523	1.3
299.02191	0.2
301.02658	0.2
326.12262	0.4
345.22626	0.2
353.08884	0.2
357.14618	0.3
379.16183	0.4
429.10358	0.2
429.35880	0.2
511.25500	0.5
535.25836	0.2
541.19391	90.1
542.19745	11.0
553.26794	0.5
775.34277	3.1
776.34607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.3
57.03344	1.2
58.00480	6.1
59.01266	100.0
60.01614	0.6
61.28722	0.5
61.98703	0.8
69.03358	0.8
69.40216	2.9
69.40646	2.6
71.01272	78.1
72.01605	0.9
72.99203	5.8
73.02848	1.9
75.00770	0.6
78.95801	0.8
81.03326	0.6
83.01257	3.1
83.53912	0.8
85.02845	15.0
87.00777	6.8
89.02339	92.5
90.02664	1.3
93.03353	3.1
95.01295	5.6
96.95917	2.4
97.02860	1.0
101.02349	40.3
102.02657	1.0
105.03374	0.7
108.02059	1.0
109.02853	1.9
111.00807	0.6
111.77969	0.6
113.02361	32.0
114.02673	0.7
115.04021	0.7
117.03405	0.9
117.57445	0.6
119.03424	36.4
119.04866	2.0
120.03765	0.7
121.02873	4.3
122.03660	5.4
123.00759	2.2
123.04441	0.8
125.02354	1.7
129.01848	0.7
131.03436	4.8
133.02861	2.1
134.03639	2.1
135.04416	2.5
136.01591	13.9
137.01529	0.6
137.02377	6.6
138.03221	0.7
139.03947	0.9
143.03453	8.8
145.02885	5.5
146.03604	1.9
147.04378	1.0
149.02376	10.5
149.04446	3.5
149.05869	0.9
150.03168	29.4
151.00314	10.3
151.03960	15.1
152.01060	1.3
152.04601	0.8
153.01898	0.7
153.05452	1.2
155.03427	1.3
160.01482	0.6
161.02423	5.2
161.04486	8.0
161.05849	1.1
162.03178	19.0
163.03809	2.1
164.04666	1.8
165.00523	0.7
165.01892	12.0
165.05521	35.6
166.02673	28.6
166.05734	1.3
167.03255	1.8
168.04237	0.8
173.04433	2.6
173.05806	0.6
175.03954	5.9
176.01161	0.8
176.04671	1.0
177.01903	28.5
177.05493	10.9
178.02486	1.6
179.03493	4.4
179.05582	21.7
179.07130	1.4
180.04243	10.2
181.05029	28.3
182.05307	1.3
187.03964	0.8
189.05615	1.0
190.02745	0.7
190.06357	1.4
191.03452	2.2
191.05508	9.5
191.07170	0.7
192.04260	19.7
192.05853	0.8
193.04892	3.0
194.05804	0.8
195.02902	1.3
195.06613	42.8
196.06918	1.7
205.04951	1.6
207.04759	1.0
207.06615	15.9
209.04465	0.7
209.08223	1.2
210.05249	2.4
219.06448	0.7
220.07178	0.7
223.06102	1.0
225.07671	10.4
255.06464	0.8
285.04059	0.8
299.01788	1.0
309.07388	0.7
312.06299	0.9
329.10410	0.6
333.05063	0.6
342.11185	0.7
357.09656	2.4
357.13510	1.0
372.11981	1.1
373.12701	1.7
386.13461	0.9
387.14722	13.0
388.14758	1.3
402.12869	1.3
417.10388	1.1
417.15594	13.5
418.15421	0.9
565.21063	9.2
566.20905	1.4
577.20947	15.0
578.20502	1.7
613.23090	11.1
614.22406	2.3
703.29285	0.6
775.27997	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.9
57.03337	1.5
58.00485	5.6
59.01264	100.0
60.01590	1.0
61.99292	0.6
69.03334	0.7
69.34419	3.5
69.34853	3.3
70.73596	0.7
71.01270	82.0
72.01591	1.2
72.99200	5.9
73.02839	2.2
78.95794	1.3
83.01279	4.1
85.02840	14.0
87.00777	7.5
89.02338	94.9
90.02690	1.0
93.03372	2.6
95.01276	5.1
96.95928	0.9
97.02865	0.6
98.20573	1.4
99.00768	1.0
101.02348	44.9
102.02690	0.8
104.54607	0.7
107.03333	0.7
108.02088	0.8
109.02887	1.7
113.02364	35.8
114.02756	1.0
117.03357	2.4
119.03418	41.3
119.04902	2.4
121.02869	4.1
122.03622	3.0
123.00771	1.6
125.02343	2.1
125.58238	0.8
131.03436	6.9
133.02902	1.1
134.03636	1.2
135.04404	1.7
136.01588	9.3
137.02390	6.0
143.03448	9.6
145.02892	7.1
146.03661	1.4
147.04445	1.5
149.02394	6.9
149.04422	3.4
150.03169	17.1
151.00337	10.4
151.03955	9.6
152.00999	1.1
152.04669	1.2
153.01839	1.0
153.05455	0.8
156.44969	0.8
160.01564	1.0
161.02390	5.4
161.04507	8.1
161.05856	1.5
162.03183	26.1
163.03751	2.5
164.04694	1.5
165.01849	2.9
165.04178	0.6
165.05511	21.7
166.02669	30.3
167.03316	1.5
173.04472	1.7
175.04001	3.6
176.04471	1.6
177.01903	23.5
177.05536	14.0
178.02211	1.0
178.05843	0.7
179.03447	2.2
179.05577	23.0
179.07104	1.2
180.04167	2.9
180.05658	0.9
181.05031	29.6
182.05292	2.1
190.06262	1.0
191.03493	2.0
191.05507	9.4
191.07178	1.3
192.04247	15.6
193.04749	2.2
195.02994	1.8
195.06619	21.5
196.06865	1.0
205.04958	1.4
206.05582	0.9
207.06613	13.7
210.05186	1.1
219.06630	0.8
220.07214	1.0
225.07544	2.7
327.08698	0.8
350.91464	0.7
357.09244	0.8
357.12479	0.9
372.12177	1.2
386.13644	1.1
387.09937	1.6
387.14902	8.6
388.14755	0.9
402.13104	1.5
417.15686	12.4
418.15649	1.3
447.09781	0.8
511.16354	0.7
565.20416	1.9
577.20770	18.0
578.20538	3.2
613.22827	5.3
775.28345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91770	0.1
59.01255	0.4
62.96292	0.2
63.54245	0.1
69.25476	0.3
69.25874	1.6
71.01261	0.4
77.13655	0.1
78.95797	65.9
80.96233	0.4
85.02814	0.3
87.00753	0.1
93.03334	0.6
96.96867	53.5
98.97282	0.4
101.02348	0.3
111.00858	0.1
119.04930	0.2
121.02895	0.2
129.64145	0.1
135.04446	0.1
144.07130	0.2
161.02338	0.1
173.04457	0.4
191.05608	1.7
191.77014	0.1
192.05890	0.3
207.04359	0.2
215.92172	0.1
224.63727	0.2
233.09503	100.0
234.09837	8.9
234.12282	0.3
235.10040	1.6
249.08955	0.3
251.10675	0.3
300.02798	0.3
301.03506	0.4
323.22821	0.1
521.17151	0.4
539.34644	1.8
540.34576	0.2
773.19397	0.2
773.44507	1.8
774.44806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	6.0
61.98713	2.0
71.01273	2.4
71.57877	0.5
72.99194	5.1
73.02845	2.0
75.00764	0.7
78.95786	0.5
85.02847	1.5
88.98696	0.5
89.02346	1.1
93.03376	0.8
96.95911	0.6
97.06482	0.4
99.00769	2.5
99.92485	2.7
101.02345	1.0
110.97816	0.4
113.02386	1.2
116.92773	31.5
116.97170	1.2
117.00282	0.4
117.01854	2.2
117.03389	0.7
117.53075	0.4
117.92760	2.2
119.04947	100.0
120.05273	4.4
121.02865	0.6
127.07587	7.4
135.04495	0.5
145.02892	2.2
160.01627	0.9
161.06023	1.2
163.03967	65.4
164.04271	2.8
165.12781	0.6
175.04034	1.0
183.13853	3.4
189.12924	0.5
191.05574	1.1
195.06645	0.8
201.11345	0.9
205.05074	0.9
209.11787	1.9
227.12970	0.5
248.92239	0.4
253.09424	0.7
254.22064	0.4
289.21829	11.0
290.22092	0.9
291.11069	0.5
307.08234	0.5
309.20691	1.2
311.99219	0.5
312.02963	0.4
325.09286	1.0
333.20782	6.9
334.21237	0.6
439.12344	2.2
457.13623	50.9
458.14078	5.8
623.84235	0.5
773.34064	46.9
774.34375	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	773.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.2
61.98712	0.4
70.74888	0.3
70.75245	0.1
71.01259	0.4
78.95794	3.1
79.95625	2.7
85.71246	0.1
89.33723	0.1
94.97979	0.1
96.95915	100.0
96.96796	3.9
97.95847	0.3
98.02382	0.1
99.09118	0.1
107.81799	0.1
118.96643	0.1
159.51102	0.1
163.96187	0.1
191.05611	0.2
209.11810	0.2
222.69279	0.1
277.21606	0.2
361.04831	0.1
397.13629	0.2
435.08115	0.2
437.56430	0.1
453.09375	0.4
500.29510	0.1
713.30603	0.6
788.37653	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85176	0.1
59.01247	0.1
61.98707	0.2
62.31831	0.1
71.01266	0.5
71.58602	0.1
78.95795	3.9
79.95626	3.0
79.96097	0.1
87.00771	0.2
93.03362	0.1
94.97988	0.1
96.00770	0.1
96.95916	100.0
96.96803	4.8
97.02828	0.1
97.95856	0.4
98.02369	0.1
99.00800	0.1
102.49136	0.1
103.49083	0.1
105.03330	0.1
117.03368	0.1
118.96556	0.1
119.04935	0.1
133.02907	0.4
134.03224	0.1
135.04454	0.3
145.02922	0.2
146.03271	0.1
152.99535	0.1
155.03407	0.1
161.02365	0.1
163.03984	0.1
171.10251	0.5
173.04556	0.2
177.01913	0.1
179.03471	0.2
191.05609	0.2
193.72632	0.1
201.11217	0.1
207.10190	0.1
275.20264	0.1
277.21811	0.1
283.56369	0.1
293.21295	0.2
299.02109	0.1
361.04959	0.1
365.09103	0.1
397.13635	0.2
407.17847	0.1
435.08066	0.1
453.09366	0.4
555.26160	0.2
556.26630	0.1
569.13385	0.1
713.31122	0.4
714.31000	0.1
717.28931	0.1
773.42706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.2
57.03331	2.3
58.00483	1.1
59.01265	31.5
65.03858	0.9
67.01785	1.4
68.99695	1.7
69.03343	3.5
69.42265	3.0
69.42691	4.6
71.01271	27.8
72.99202	17.7
73.02838	9.1
75.00768	20.2
78.95790	1.2
83.01282	3.8
85.02847	33.1
87.00778	9.9
89.02330	7.6
93.03368	7.5
95.01279	6.2
96.95923	7.6
96.96877	1.5
97.02866	13.0
97.06483	1.2
98.20653	0.8
99.00773	11.5
101.02351	8.0
103.00277	7.7
108.02094	1.4
109.02863	12.0
111.00792	2.0
111.04416	2.2
113.02359	41.0
114.02708	1.3
115.00299	3.0
117.01888	0.9
117.03335	0.9
119.04926	4.6
123.08064	3.4
125.02378	2.2
127.07572	42.5
128.07901	1.7
129.01839	4.0
131.03447	4.0
133.01360	2.4
135.04425	0.9
137.02364	1.7
143.04984	1.1
145.02942	1.7
146.00056	0.8
149.15948	0.9
153.01913	6.8
155.03418	1.7
155.50098	0.8
157.01343	2.2
161.09679	1.2
162.03218	1.6
163.02512	1.6
163.03943	4.7
163.11235	1.1
165.05531	5.4
165.09174	2.2
173.04541	6.4
175.02461	6.9
177.05524	2.4
189.12761	0.8
191.05559	17.5
191.07133	25.5
192.05907	1.8
192.07420	1.5
193.03520	35.6
201.01025	0.8
201.04021	1.1
203.14452	5.9
205.08711	18.6
206.09369	2.5
207.10327	4.2
211.07613	1.9
217.03470	1.9
221.08246	4.3
227.03439	1.1
233.09535	1.2
235.04610	22.1
255.03020	3.2
267.07043	1.6
269.19250	2.8
271.02603	1.4
284.03256	2.7
285.04153	10.8
285.18668	1.9
287.20123	1.5
300.02844	1.8
301.03467	1.8
305.21127	1.2
313.18216	25.0
314.18549	3.0
323.54730	0.8
327.08774	1.8
331.19223	70.4
332.19568	9.1
349.20285	100.0
350.20667	11.3
370.64188	0.8
379.08887	23.4
380.09268	1.5
387.78717	0.8
397.09973	49.8
398.10138	4.1
463.08939	3.4
497.13266	0.8
507.17685	2.5
610.15546	1.0
711.28748	0.9
729.29901	96.0
730.30188	21.6
773.24982	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71237	1.1
57.03328	2.2
57.91915	1.2
57.98563	1.1
59.01264	29.8
61.27386	1.1
61.89173	1.2
69.03344	2.1
69.26551	6.9
69.26984	5.8
71.01269	21.5
72.99206	13.2
73.02825	4.4
75.00759	10.2
76.83257	1.1
78.95824	1.4
83.01276	3.5
85.02837	24.9
87.00757	7.8
89.02346	7.0
90.04828	1.2
93.03362	5.5
95.01286	5.3
96.95930	4.7
97.02847	8.9
99.00768	5.9
101.02344	6.3
103.00285	4.2
109.02895	2.0
111.00777	1.6
111.04425	1.7
113.02353	33.8
117.01868	1.6
119.04963	2.7
123.08057	2.9
125.02364	2.7
127.07569	38.3
128.07927	1.4
129.01862	2.9
131.03430	4.2
133.02884	2.0
134.03668	19.9
135.04391	4.3
137.02367	1.9
143.03354	1.7
145.02925	1.9
147.08075	2.0
148.05255	1.5
149.06010	6.7
151.03889	1.5
155.03419	1.5
160.01595	6.1
161.09665	4.8
163.03949	3.3
163.11220	4.1
173.04501	5.6
175.02467	5.5
175.03954	11.0
175.73631	1.1
177.01871	1.7
178.02609	4.0
179.03456	1.9
179.05600	2.4
191.05545	15.5
191.07126	19.3
193.03481	26.2
193.05064	22.5
195.06587	4.7
196.62860	1.3
203.14558	1.4
205.08673	16.4
206.09319	1.8
207.06737	1.9
211.07512	2.3
221.08167	2.5
223.06128	3.0
227.03435	1.4
235.04594	16.1
284.03217	1.8
285.03986	2.6
313.18185	12.3
331.19208	63.8
332.19574	4.5
349.20267	81.1
350.20691	8.3
355.10440	26.6
356.10898	2.1
379.08875	26.3
380.09277	1.6
397.04739	2.3
397.09946	48.6
398.10278	2.7
447.09647	1.5
531.39099	1.4
593.20282	3.6
611.21478	4.8
700.17151	1.3
729.29901	100.0
730.30396	16.8
773.31018	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	773.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17750	0.2
59.01265	6.4
63.48392	0.2
67.01775	0.4
69.03345	0.4
70.57463	0.6
70.57816	0.5
71.01269	1.8
73.02830	0.9
76.51749	0.2
81.03320	0.3
83.04951	0.3
85.02842	6.4
86.03208	0.3
87.00767	1.7
89.02330	0.8
91.64678	0.3
93.03361	4.1
96.95921	0.7
99.04420	0.3
101.02351	1.0
109.02858	0.5
111.04452	0.9
113.02316	0.5
119.04947	1.2
127.03938	1.7
131.03456	0.3
135.04460	0.4
145.02888	0.8
163.03957	1.4
163.28714	0.2
171.02979	0.6
173.04521	1.4
179.03525	0.3
191.05585	100.0
192.05923	5.7
192.30583	0.3
193.06053	1.1
331.17731	0.5
337.09366	28.7
338.09714	3.4
339.09937	0.5
349.18588	0.3
387.16684	0.5
391.19882	1.2
435.22696	0.3
511.79626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.4
59.01266	100.0
60.01608	1.2
68.14333	0.3
69.25110	3.7
71.01271	6.9
72.99191	0.6
73.02833	3.2
83.01305	1.5
85.02841	3.9
87.00791	0.8
89.02349	1.4
93.03378	0.6
95.01302	0.6
96.95932	1.5
97.02861	0.3
99.00793	1.1
101.02348	6.0
113.02370	3.5
119.03442	0.6
125.02399	0.4
135.04449	0.5
143.03491	0.4
150.50157	0.3
159.03033	0.7
161.04533	3.1
173.04507	0.4
191.05592	2.2
208.88432	0.3
269.10367	4.8
269.13153	0.4
271.02350	0.4
311.11487	3.8
312.11874	0.4
313.16571	0.4
327.08905	0.5
327.16141	0.6
331.17709	5.1
332.18329	0.7
345.17126	0.5
362.93439	0.3
373.18729	7.1
374.19159	0.9
409.60034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.5
62.96280	0.2
65.00220	0.2
69.26019	0.3
69.26427	1.5
69.60964	0.1
71.01264	0.4
75.61906	0.2
78.95796	68.8
83.01259	0.2
85.02850	1.5
87.00793	0.4
89.02336	0.2
92.73539	0.1
93.03373	1.4
95.01305	0.3
95.96122	0.3
96.95878	1.6
96.96867	56.2
98.20663	0.3
101.02367	0.3
107.01281	0.5
109.02884	0.1
111.04430	0.2
113.02356	0.2
117.03392	0.3
119.04926	0.6
123.00792	0.1
125.02364	0.3
127.03951	0.3
131.11537	0.2
134.03665	0.1
145.02866	0.2
151.00328	2.0
152.01018	0.2
161.02365	0.2
162.71126	0.2
163.03981	1.0
173.04501	0.6
178.99815	1.4
183.04395	0.2
187.03934	0.2
190.55602	0.2
191.05589	21.3
192.05925	0.8
201.05540	0.2
206.99326	0.6
208.00032	0.2
211.04013	0.3
229.05121	0.3
233.09503	100.0
234.09834	5.8
235.09879	0.3
245.04550	0.4
247.07375	0.2
249.09016	4.7
250.09447	0.4
255.03052	2.3
256.03555	0.2
257.04626	0.9
265.08426	0.2
273.04114	2.5
274.04501	0.2
276.10184	0.2
283.02588	4.1
284.02899	0.6
301.00238	0.3
301.03619	3.8
302.04010	0.5
337.09354	7.0
338.09784	0.7
349.18600	0.4
405.08566	0.3
433.07730	1.1
537.19867	0.2
537.32874	0.5
771.43036	1.3
772.43604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.1
59.01284	0.4
60.32398	0.1
62.96299	0.1
63.86690	0.1
71.01265	0.2
73.02852	0.1
78.95797	54.3
80.96228	0.1
85.02865	0.2
87.00752	0.1
89.02328	0.2
93.03364	0.4
95.96103	0.1
96.96867	46.3
98.20491	0.2
98.97266	0.1
101.02356	0.2
113.02361	0.2
119.04942	0.2
121.49997	0.1
123.02096	0.1
134.03606	0.1
137.02336	0.2
149.00089	0.1
151.00360	0.1
152.01088	0.1
161.02419	0.1
161.04543	0.1
162.17172	0.1
163.03899	0.3
173.04524	0.3
191.05615	1.3
192.06030	0.1
193.04817	0.1
195.06622	0.1
203.99443	0.1
206.05667	0.1
206.99184	0.1
207.04294	0.2
229.25365	0.1
233.09505	100.0
234.09837	6.2
234.34900	0.1
235.10059	0.4
249.09026	1.3
250.09456	0.1
253.36441	0.1
273.04227	0.1
283.02594	0.2
301.03543	0.3
337.09396	0.3
338.09625	0.1
349.18729	0.7
353.08725	0.1
363.20639	0.1
379.19748	0.1
537.20581	0.1
537.32861	1.3
538.32922	0.2
591.68829	0.1
771.30902	0.1
771.43402	1.3
772.43488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97072	0.3
57.03331	0.5
59.01270	2.8
61.98724	1.1
68.31915	0.3
69.03349	0.7
71.01280	2.1
71.21993	0.3
72.68352	0.3
72.99200	10.7
73.02844	1.1
78.94582	0.3
82.95313	5.3
83.01277	0.5
83.02414	0.8
83.04922	0.6
84.95020	0.4
85.02858	1.0
87.00768	0.6
89.02341	0.8
93.03372	0.9
95.01324	0.4
96.95922	1.8
96.99320	0.3
97.02856	4.6
97.06470	0.5
98.19743	0.6
99.00787	1.6
101.02324	0.7
109.02865	0.4
109.06519	1.1
113.02362	1.8
117.03383	0.8
119.04948	100.0
120.05288	3.7
121.02888	0.8
121.06629	0.3
123.04433	0.4
125.02370	0.6
126.76467	0.3
127.07615	1.6
131.03403	0.3
132.05777	0.3
133.06505	0.5
135.04410	0.5
145.02907	2.0
151.07628	2.4
161.04500	0.4
161.05995	0.7
161.09637	0.4
162.03204	0.7
163.03961	63.3
164.04288	2.8
166.08737	0.3
166.73502	0.3
171.10213	2.5
173.04559	0.3
187.11237	0.4
189.12831	2.7
191.05579	1.2
191.07169	0.9
195.06602	8.5
196.06880	0.8
197.11882	0.4
203.14455	0.5
205.05055	1.0
205.08693	2.2
207.10219	1.2
209.11835	2.8
224.63547	0.3
225.11343	1.2
227.12981	0.5
229.23128	0.3
235.08214	0.4
243.24030	0.3
244.55295	0.3
253.09236	0.6
269.19150	1.1
277.10611	0.4
283.17105	1.0
287.20135	0.4
291.19717	0.5
309.20752	0.8
313.18179	7.4
314.18509	0.8
325.09332	0.9
325.20062	1.0
329.17474	0.8
331.19232	7.9
332.19424	0.5
439.12567	11.2
440.12878	1.3
457.13629	75.0
458.13940	9.4
687.30573	0.6
689.31641	0.4
771.32434	10.6
772.32837	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	771.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.6
58.54737	0.2
59.01265	0.9
64.84074	0.2
65.00208	0.4
70.37525	0.9
71.01299	0.2
71.71893	0.2
78.91770	0.3
80.91580	3.5
81.03349	2.6
83.01308	0.5
85.02853	0.2
85.06488	0.5
87.04427	0.3
96.95942	0.3
97.02818	0.3
99.03317	0.2
107.01329	0.3
109.06493	2.0
110.78371	0.2
111.04430	2.8
116.92803	0.5
122.03672	1.0
125.02369	5.4
127.07584	0.3
137.02312	0.2
139.03896	0.2
149.02393	0.4
151.00323	1.2
151.07594	27.0
152.01089	0.2
152.07919	1.2
159.78952	0.2
171.10179	0.4
177.05542	1.1
179.03336	0.2
191.05594	0.5
191.07156	1.2
195.06613	100.0
196.06944	5.6
197.11868	0.3
205.08736	0.5
209.11865	0.3
217.04831	0.2
219.06735	0.3
235.04634	0.9
237.07622	0.4
277.05786	1.8
278.06097	0.2
331.19244	10.7
332.19547	1.3
333.56641	0.3
339.10855	1.2
357.12006	12.0
358.12469	1.2
379.10052	2.2
423.09149	0.6
439.11008	0.6
473.45187	0.2
561.59406	0.2
627.92834	0.3
689.31915	7.0
690.32355	2.1
711.30414	0.4
771.42096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.4
61.98709	0.7
65.61396	0.2
70.94088	0.2
71.01266	2.9
71.46546	0.6
72.99213	0.3
73.02841	0.7
83.01268	0.4
85.02838	0.8
87.00777	0.3
89.02344	2.6
89.03869	0.3
95.04874	0.4
96.95931	0.7
99.00791	0.7
101.02350	1.3
105.03380	0.4
107.04937	1.0
109.02918	0.3
113.02365	1.1
117.03360	1.8
119.03431	0.8
123.04427	0.4
131.03432	0.4
132.02087	1.9
133.02881	34.5
134.03716	3.8
135.04449	50.6
136.04790	1.6
137.02327	0.3
149.04520	0.4
150.70247	0.2
161.02391	100.0
162.02730	5.4
175.03960	0.6
179.03461	30.5
180.03835	1.7
191.05626	0.8
209.11783	0.5
447.21854	0.3
520.64258	0.3
591.24408	1.0
609.25647	41.9
610.26013	6.6
611.41718	0.3
771.28857	36.2
772.29150	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	771.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.2
59.01266	3.7
61.98711	0.4
64.28712	0.2
71.01266	3.3
72.99201	0.3
73.02833	0.9
75.05919	0.2
81.03345	0.4
83.01305	0.3
83.04934	0.2
85.02865	0.9
87.00774	0.2
89.02343	4.1
89.03861	0.6
91.05434	0.3
93.03351	0.4
95.01328	0.2
96.95900	1.5
97.02866	0.3
98.20538	0.5
99.00776	1.7
100.90827	0.2
101.02343	2.1
105.03359	0.6
107.04933	1.2
109.06507	0.7
111.04444	0.4
113.02356	0.8
115.01813	0.2
117.03391	1.7
117.46713	0.2
118.03664	0.2
119.03439	0.3
121.02876	0.3
122.03665	0.2
123.04450	0.5
125.02358	0.8
131.03426	0.7
132.02094	2.0
133.02882	37.3
134.03729	3.6
135.04448	52.1
136.04771	2.1
137.02342	0.5
147.04448	0.3
148.05328	0.2
149.02371	0.3
149.04514	1.1
149.05998	0.4
151.07588	2.2
161.02390	100.0
162.02733	4.9
171.10208	0.4
173.04530	0.5
175.04022	0.7
179.03459	30.3
180.03786	1.3
184.94872	0.2
189.12857	0.2
191.05608	1.3
191.07059	0.3
195.04820	0.4
195.06609	7.1
196.06961	0.3
201.01666	0.5
205.08574	0.2
209.08144	0.3
209.11771	0.3
215.10764	0.3
219.06659	1.4
229.22005	0.2
237.07744	0.6
253.09309	0.2
271.02225	0.2
293.08893	0.5
299.01901	0.2
313.18149	0.7
319.22763	0.4
331.19135	0.3
341.09268	0.3
357.12009	1.7
375.06973	0.3
460.42703	0.2
591.24561	1.4
609.25653	38.0
610.26007	6.9
685.40717	0.2
687.59076	0.2
689.32166	1.9
690.32642	0.5
771.28870	31.9
772.29156	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	771.18
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.3
63.02266	2.4
65.00205	1.9
69.43821	3.3
69.44244	3.6
71.01283	3.8
80.19141	0.9
83.01273	2.2
85.02825	2.3
89.02324	1.8
93.03367	3.5
95.26854	0.8
96.95885	1.9
100.44817	0.8
107.01324	4.0
108.02068	1.8
109.02851	1.7
117.03375	1.3
121.02863	3.0
123.04443	0.8
124.01543	0.8
125.02377	1.7
129.02127	0.8
133.02884	18.3
134.03671	9.7
135.04446	88.5
136.04752	2.6
137.02367	1.9
137.92937	0.7
148.01608	2.0
149.06055	1.1
151.00316	15.6
151.03908	0.9
159.04456	1.9
160.01605	1.2
161.02388	49.8
162.02718	3.1
163.00305	3.1
163.03905	1.2
164.01111	1.5
169.01419	1.3
173.04541	4.8
175.03969	2.3
177.01993	0.9
177.05605	1.0
178.02626	1.5
178.99942	6.3
179.03459	54.9
180.03787	2.2
187.04021	1.0
191.05576	21.2
192.05943	1.2
193.05011	1.3
199.03915	2.4
203.03514	1.2
211.04059	1.4
215.03481	1.0
216.04218	0.8
218.59654	0.8
221.04509	3.2
226.02754	1.2
227.03508	5.2
228.04195	1.1
229.01471	1.3
242.02238	1.6
243.03032	20.0
244.03685	3.4
245.04489	1.2
254.02293	2.7
255.03015	32.9
256.03467	3.2
257.04633	1.6
270.01859	1.1
271.02542	72.1
272.03036	8.8
277.04932	1.3
283.02579	1.6
284.03299	1.2
285.04083	1.9
287.05664	1.6
295.06073	1.4
299.02026	22.8
300.02805	100.0
301.03513	36.9
302.03955	2.8
314.04349	15.3
315.05164	67.2
316.05576	6.5
335.07712	1.0
335.73813	0.8
337.03656	1.1
339.05096	4.8
353.08850	17.0
354.09109	0.9
357.06769	1.3
365.27084	1.0
395.09781	2.6
442.92273	0.9
455.12045	67.7
456.12393	8.5
513.10492	3.2
549.41418	0.9
577.12170	4.2
595.05487	0.5
595.13141	27.9
596.13342	4.6
609.14636	16.1
610.15369	2.7
771.17987	53.7
772.18237	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	769.492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
59.01257	0.8
59.98404	0.5
61.98704	0.3
63.64624	0.1
69.03339	3.0
69.48730	1.2
69.51556	0.1
70.03680	0.2
71.01279	0.3
71.04923	0.7
78.95814	0.2
81.03420	0.1
83.04922	6.0
85.02841	0.5
96.95916	0.4
97.06506	0.6
98.19855	0.3
99.04422	6.3
101.02368	0.3
107.04892	0.2
111.04422	0.3
111.08064	0.2
123.08082	1.4
125.09629	0.6
137.09660	0.3
147.08151	0.2
147.11699	0.4
149.09702	0.9
149.13274	0.4
163.11266	0.2
165.12767	0.6
167.10738	2.7
167.14360	0.5
168.10994	0.2
171.10291	0.8
179.03627	0.2
191.05602	0.5
191.14297	0.2
193.12294	1.1
195.06569	0.1
195.13861	0.3
197.11844	0.8
205.12201	0.2
205.16060	0.2
209.11789	0.4
211.13385	0.3
219.17560	0.4
221.19083	0.2
223.13350	1.7
225.11320	0.2
235.08276	0.3
235.20714	0.2
243.57832	0.2
251.16592	1.7
252.16893	0.2
253.09399	0.6
257.19229	0.4
273.22299	1.5
291.23428	0.3
307.19141	0.1
309.20538	0.2
317.21335	2.0
318.21558	0.2
327.21820	1.3
335.22354	100.0
336.22693	11.1
459.22446	0.3
633.14038	0.1
769.40875	1.2
770.41443	0.4
792.72144	0.2
797.77502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.3
58.99493	0.4
59.01266	2.1
61.98725	0.7
64.81818	0.2
65.00231	0.2
67.18578	0.2
71.01271	2.7
71.56233	0.3
73.02840	1.1
74.20378	0.2
74.52956	0.2
75.05585	0.2
77.69306	0.2
78.97888	0.2
83.01266	0.5
85.02850	0.9
87.00771	0.2
89.02354	1.7
91.05444	0.2
93.03351	0.4
96.26455	0.2
96.95924	0.9
99.00778	1.6
101.02337	1.5
102.98489	1.8
105.03353	0.5
107.04935	0.9
108.02110	0.2
109.02874	0.2
109.09117	0.2
113.02399	1.0
117.03381	1.3
123.04471	0.3
125.02312	0.2
131.03496	0.2
132.02097	1.8
133.02881	29.1
134.03731	2.9
135.04448	45.9
136.04778	1.8
149.04510	0.4
149.06029	0.5
151.07553	0.3
161.02391	100.0
162.02733	3.9
173.04552	0.2
175.03989	0.7
177.05632	0.3
179.03459	29.6
180.03816	1.3
191.05562	1.0
195.06609	0.8
221.04532	0.2
241.66212	0.2
251.05528	0.3
267.06665	0.2
311.07623	0.2
313.16653	0.6
353.08832	0.5
445.20801	0.3
589.23004	1.2
607.24121	31.1
608.24408	4.1
769.27277	46.7
770.27576	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	769.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95317	0.1
59.01276	1.0
62.96307	0.1
63.89796	0.1
67.01804	0.2
71.01260	0.5
71.56850	0.2
71.57230	0.2
73.02830	0.4
78.71119	0.1
78.95795	66.5
83.01270	0.2
85.02840	0.5
87.00786	0.4
89.02361	0.3
93.03335	0.8
96.96866	53.9
101.02346	0.5
107.46666	0.1
110.27656	0.1
113.02339	0.3
119.04962	0.5
136.19853	0.1
138.24899	0.1
145.02858	0.2
163.03979	0.4
173.04536	0.9
191.05623	1.6
207.04120	0.2
209.08194	0.2
233.09500	100.0
234.09837	5.6
234.12257	0.2
249.09001	1.4
265.08530	0.3
327.08862	0.2
405.28729	0.2
517.30420	0.2
535.31201	1.1
536.31915	0.2
543.25464	0.1
566.03864	0.2
769.30939	0.4
769.42804	1.1
770.41833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89018	0.1
56.03798	0.1
56.24984	0.1
59.01250	0.3
60.63854	0.1
62.96288	0.2
69.54495	0.8
71.01283	0.2
78.95797	67.2
85.02876	0.2
86.49854	0.1
89.02351	0.1
89.25982	0.1
89.54236	0.1
95.57860	0.1
95.96092	0.1
96.96869	53.2
97.42879	0.1
98.20512	0.2
101.02364	0.1
119.03435	0.1
135.04497	0.1
163.04062	0.1
173.04497	0.1
191.05594	0.5
192.42726	0.1
233.09506	100.0
234.09851	6.0
235.10031	0.2
353.08792	0.1
373.26071	0.1
378.17831	0.1
464.15152	0.1
494.95523	0.1
535.31366	3.4
536.31659	0.5
639.45691	0.1
645.37036	0.1
769.41547	1.2
770.41815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.3
58.99493	0.4
59.01266	2.1
61.98725	0.7
64.81818	0.2
65.00231	0.2
67.18578	0.2
71.01271	2.7
71.56233	0.3
73.02840	1.1
74.20378	0.2
74.52956	0.2
75.05585	0.2
77.69306	0.2
78.97888	0.2
83.01266	0.5
85.02850	0.9
87.00771	0.2
89.02354	1.7
91.05444	0.2
93.03351	0.4
96.26455	0.2
96.95924	0.9
99.00778	1.6
101.02337	1.5
102.98489	1.8
105.03353	0.5
107.04935	0.9
108.02110	0.2
109.02874	0.2
109.09117	0.2
113.02399	1.0
117.03381	1.3
123.04471	0.3
125.02312	0.2
131.03496	0.2
132.02097	1.8
133.02881	29.1
134.03731	2.9
135.04448	45.9
136.04778	1.8
149.04510	0.4
149.06029	0.5
151.07553	0.3
161.02391	100.0
162.02733	3.9
173.04552	0.2
175.03989	0.7
177.05632	0.3
179.03459	29.6
180.03816	1.3
191.05562	1.0
195.06609	0.8
221.04532	0.2
241.66212	0.2
251.05528	0.3
267.06665	0.2
311.07623	0.2
313.16653	0.6
353.08832	0.5
445.20801	0.3
589.23004	1.2
607.24121	31.1
608.24408	4.1
769.27277	46.7
770.27576	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	769.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.6
59.01268	2.0
59.78563	0.3
60.99199	1.8
61.85400	0.3
67.01784	4.6
69.03348	1.6
71.01273	2.4
73.02824	0.3
74.00805	0.3
81.03354	1.2
83.04901	1.2
84.82873	0.3
85.02850	7.0
87.00771	8.3
89.03834	0.5
93.03362	29.3
94.03702	1.1
95.01303	0.4
98.20535	0.9
99.00778	0.8
99.04422	0.5
101.02340	0.3
109.02849	1.3
111.00794	0.8
111.04424	4.8
113.02357	1.0
115.19525	0.3
117.03389	0.8
119.04945	1.0
120.95603	0.3
127.03941	2.0
129.01871	1.6
134.03667	9.4
135.04395	0.4
137.02374	0.4
139.00325	0.4
142.95679	0.3
145.02901	0.5
149.06049	0.9
155.03471	1.4
163.03871	0.7
171.03011	0.4
173.04512	9.9
174.04811	0.4
174.73022	0.3
175.03938	0.5
178.02699	0.3
191.05589	100.0
192.05943	4.1
193.05023	5.6
199.02415	0.5
232.12163	0.3
244.72906	0.3
324.25000	0.3
367.10422	33.5
368.10776	2.7
375.10281	0.5
387.09323	0.4
769.21271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
59.01266	1.9
60.99195	1.4
67.01775	3.9
69.03339	1.1
71.01266	1.8
71.57371	0.3
71.57773	0.3
72.99236	0.2
73.02843	0.3
81.03357	1.1
83.01298	0.2
83.04914	0.7
85.02843	5.8
87.00773	5.4
93.03358	24.5
94.03694	0.4
95.01270	0.7
97.02862	0.2
98.47387	0.2
99.00788	0.5
99.04417	0.7
101.02377	0.3
109.02845	0.9
111.00777	0.8
111.04432	3.7
112.04778	0.2
113.02361	0.6
117.03352	0.8
119.04968	0.2
127.03936	1.7
129.01843	0.5
134.03661	7.5
135.03993	0.2
137.02397	0.5
139.00298	0.7
143.03456	0.2
145.05052	0.2
149.05997	0.6
153.01968	0.2
155.03439	1.0
160.01669	0.3
163.03944	0.3
171.02911	0.4
171.32898	0.2
173.04504	6.9
174.04861	0.4
175.03969	0.7
191.05580	100.0
192.05948	3.2
193.05016	4.8
193.32686	0.2
194.05464	0.3
199.02385	0.8
224.83215	0.2
285.06396	0.2
317.03247	0.3
345.08313	0.2
367.10403	52.2
368.10776	4.4
369.29327	0.2
387.09552	0.4
405.10712	0.3
763.35602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
59.01271	3.4
65.00201	0.7
70.70016	1.0
70.70355	0.4
71.01270	0.7
81.03356	2.8
83.01286	0.8
85.02844	0.4
85.06492	0.8
93.03377	0.5
95.04939	0.8
96.45499	0.4
97.02808	0.5
105.35871	0.4
109.02869	0.4
109.06515	2.5
111.04428	3.8
113.06000	0.5
121.02901	0.6
122.03667	1.6
123.04440	0.8
125.02366	6.4
127.07584	0.4
133.02901	0.8
135.04443	0.6
137.02390	0.4
139.03918	0.4
147.04506	0.4
148.05241	47.6
149.02367	1.1
149.05540	2.0
150.01566	0.3
150.02841	0.5
151.00256	0.7
151.07590	40.7
152.07932	1.6
161.02368	0.9
163.07596	49.1
164.07918	1.8
165.05510	1.1
167.03587	0.4
173.04607	0.4
175.00354	0.9
177.05563	0.7
179.03464	0.7
179.07127	1.1
181.84544	0.4
191.05605	1.0
191.07104	1.5
194.05870	0.5
195.06606	100.0
196.06927	5.6
201.05551	0.4
207.06621	1.1
208.07428	0.6
209.08182	3.4
219.06627	28.8
220.07001	1.8
237.07710	9.3
237.09573	0.3
243.36273	0.4
249.07642	2.8
249.95612	0.4
261.07867	0.4
297.09851	1.4
319.43155	0.4
339.11017	0.4
348.98541	0.3
353.08902	0.4
354.42816	0.3
357.11990	54.6
358.12299	4.8
367.14224	0.7
382.77472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	14.0
59.01262	3.4
60.45225	0.4
60.99185	1.0
67.01776	3.7
69.03347	2.1
69.27100	3.9
69.27519	1.8
71.01270	2.1
73.02862	0.8
76.50199	0.5
81.03376	0.8
83.01312	0.6
83.04948	0.7
85.02840	6.0
87.00772	5.7
93.02766	1.0
93.03360	20.4
95.01261	0.7
97.02862	3.0
99.04420	10.7
101.02349	3.8
102.63728	0.5
109.02863	0.9
111.04436	3.7
113.02337	0.9
119.04939	6.1
125.02373	20.3
125.71665	0.6
126.02705	1.0
127.03896	1.7
129.01898	1.0
143.03433	1.2
145.02866	2.1
146.01990	0.5
155.03403	0.8
161.04489	1.2
163.03960	5.8
173.04498	6.2
191.05586	100.0
192.05920	3.9
203.05635	0.7
214.39482	0.5
220.87952	0.5
225.05624	0.5
231.29262	0.5
243.08798	0.8
329.08810	2.5
337.09351	26.7
338.09750	2.3
369.11887	0.9
431.12009	6.5
432.12305	0.8
545.35956	0.5
599.88153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.9
60.01615	0.3
61.01698	0.2
61.98717	100.0
62.98419	0.1
71.01279	0.2
71.58610	0.2
72.99168	0.1
85.02859	0.3
85.47577	0.1
95.01308	0.1
96.95913	0.6
101.02375	0.1
113.02383	0.3
161.04491	0.2
176.03978	0.1
181.05089	0.6
182.05435	0.4
183.05586	0.2
191.05559	0.3
191.07140	0.7
192.07445	0.5
193.07704	0.2
196.07407	0.6
197.07771	0.2
205.08752	0.5
206.09077	0.4
211.09756	0.6
212.10114	0.4
213.10271	0.2
272.21100	0.1
331.19223	2.8
332.19559	4.6
333.19797	3.1
334.20041	1.1
349.20514	0.1
350.20508	0.2
423.90704	0.1
443.82098	0.1
648.02637	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	769.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50517	0.7
55.01773	1.1
57.03337	3.2
59.01268	57.4
60.99191	0.8
65.03870	0.8
67.01776	6.9
68.99706	1.5
69.03342	6.1
69.67681	1.5
69.68085	5.1
71.01273	14.7
72.99204	2.8
73.02859	3.9
75.44321	0.7
78.95790	1.8
81.03364	6.1
83.01292	6.6
83.04933	5.5
85.02847	47.4
86.03185	1.3
87.00777	14.7
89.02348	3.2
93.03362	31.6
95.01295	30.7
95.01914	1.5
96.01637	1.2
96.95899	2.2
96.96849	1.7
97.02862	6.4
99.00813	4.5
99.04427	6.3
101.02350	4.3
103.03921	2.6
105.82388	0.8
108.02074	1.7
109.02872	13.6
109.26984	0.7
111.00799	34.7
111.04447	6.9
113.02366	16.2
115.00275	0.8
117.03373	1.2
121.02888	2.3
123.04453	1.8
125.02362	4.2
127.03938	26.1
129.01874	1.9
133.02835	1.1
134.03658	7.8
135.04398	1.7
137.02394	6.0
139.00314	36.6
139.03940	1.5
141.05525	2.7
145.05025	7.9
149.02394	1.5
151.03949	1.7
153.01857	1.8
155.03464	12.4
157.01393	4.1
160.01703	0.8
163.03960	1.4
163.06068	3.1
167.03476	1.9
169.05003	3.2
171.02907	4.5
171.07436	0.8
173.04521	10.1
175.02408	1.5
179.03445	1.9
181.01405	2.5
181.05032	1.0
191.05598	100.0
192.05919	2.5
193.03487	0.8
193.04994	4.1
199.02475	41.8
200.02765	1.6
217.03540	1.2
224.15004	0.9
241.03540	1.4
241.07152	1.9
251.10585	3.9
253.03491	1.1
257.06610	1.2
259.08139	1.2
285.06213	4.2
301.05600	2.1
303.07220	4.0
306.07651	1.2
333.51257	0.8
345.08298	16.2
346.08783	1.8
367.10400	40.3
368.10776	2.6
369.61115	0.9
387.09442	20.7
388.09695	1.2
392.43439	0.8
405.10489	14.0
465.12662	3.4
493.12173	2.3
551.16364	3.1
569.17267	1.8
579.15912	3.3
597.16815	1.9
769.21021	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	767.372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
57.03328	0.6
59.01264	100.0
60.01591	1.8
66.66324	0.3
67.79276	0.3
67.79626	0.4
69.52539	1.0
69.52959	1.6
71.01267	12.9
72.99207	0.5
73.02837	4.4
76.02536	0.3
78.95790	8.6
83.01293	1.5
85.02838	5.3
87.00764	0.5
89.02333	4.1
93.03368	0.7
95.01292	0.8
96.96856	6.0
97.02863	0.8
99.00793	1.4
101.02340	9.9
107.01321	0.5
113.02351	6.4
116.92764	0.4
119.03439	1.6
125.02384	0.7
135.04480	0.4
138.38641	0.3
139.11253	0.7
143.03455	0.8
151.00340	1.1
159.02989	1.0
161.02443	0.7
161.04501	6.6
163.04053	0.4
178.99806	0.6
179.03589	0.3
179.05626	0.6
184.05325	0.4
191.05585	2.2
203.05692	0.4
227.03665	1.2
233.09496	6.5
249.09007	3.0
255.02916	2.4
271.02689	1.4
284.03314	4.1
285.04068	3.8
286.04657	0.4
299.02106	0.5
300.02921	0.5
313.16476	2.1
331.04770	1.5
331.17667	13.8
332.18143	1.6
349.05838	0.4
349.18729	4.0
373.18753	31.9
374.19162	3.5
489.10446	4.7
490.10913	1.0
737.81696	0.4
795.25385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00494	0.3
59.01263	100.0
60.01613	0.7
65.55867	0.3
69.55635	2.7
71.01273	7.8
72.99178	0.4
73.02835	3.5
83.01299	1.0
84.49513	0.3
85.02850	1.9
89.02338	4.7
95.01289	0.8
98.19829	0.7
101.02352	7.1
113.02365	4.0
116.44301	0.3
119.03431	2.4
136.01549	0.4
143.03453	0.7
149.04503	1.1
151.00325	0.8
159.03026	0.4
161.04529	3.6
178.99857	0.4
179.05644	1.1
191.05573	0.5
221.06804	0.7
230.73189	0.4
271.02591	1.4
299.02106	0.7
300.02792	1.0
313.16580	0.5
331.04688	2.1
331.17752	3.0
349.05933	1.2
349.18912	1.5
373.18747	17.8
374.19205	1.9
393.96588	0.4
491.26990	0.4
638.84741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.1
59.01260	0.8
61.98718	100.0
62.98415	0.2
66.35421	0.1
70.04495	0.2
70.04889	0.3
71.01270	0.5
71.30157	0.1
85.02855	0.3
88.98721	0.2
93.03377	0.2
95.01340	0.1
96.95947	0.4
97.02881	0.1
101.02345	0.1
113.02350	0.2
119.04959	0.2
135.04382	0.1
151.00336	0.3
167.03484	0.1
177.01775	0.1
178.99860	0.1
191.05592	0.3
195.06650	0.5
205.08754	0.1
209.11868	0.2
271.06210	0.3
272.06442	0.2
300.02454	0.1
307.19437	0.1
308.19760	0.1
313.18097	0.2
331.19110	0.7
332.19681	0.4
349.20563	0.1
397.13876	0.2
438.54419	0.1
444.94305	0.1
518.32385	0.1
519.33521	0.5
560.32294	0.1
748.33612	0.2
766.34180	0.4
766.84259	0.2
767.34216	0.1
790.01752	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	766.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	3.8
60.01613	0.4
61.01693	0.3
61.98720	100.0
62.98419	0.2
71.01270	0.2
71.04919	0.5
71.61172	0.2
85.02873	0.2
93.03373	0.2
96.95933	0.5
101.18346	0.1
108.02084	0.2
109.02921	0.1
119.04961	0.1
123.08076	1.2
124.08425	0.5
125.08690	0.1
145.02966	0.1
146.46107	0.1
148.01598	0.1
149.57057	0.1
151.03909	0.1
152.01155	0.1
153.05560	0.2
161.02405	0.1
161.04590	0.1
161.09682	0.1
163.03995	0.3
173.04477	0.2
181.05029	1.9
182.05371	1.1
183.05550	0.5
185.34700	0.1
185.38953	0.1
189.09203	0.2
191.05772	0.6
191.07054	0.8
191.09702	0.1
192.05980	0.1
192.07536	0.4
193.07771	0.3
196.07410	1.4
197.07742	0.8
198.08009	0.2
199.08235	0.1
205.08684	0.7
206.09070	0.5
207.09273	0.2
211.06265	0.1
211.09747	1.4
212.10104	1.2
212.11835	0.1
213.10260	0.6
214.10698	0.1
221.08249	0.1
222.08488	0.1
283.02603	0.1
284.03024	0.1
285.18768	0.1
286.19025	0.1
317.03897	0.1
329.17667	3.1
330.18008	4.5
331.18335	3.2
332.18652	1.4
347.18680	1.2
348.19064	1.4
348.22998	0.1
349.19403	1.3
350.19452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	7.5
60.01598	0.8
61.01682	0.6
61.98718	100.0
62.98425	0.2
69.50963	0.9
70.34347	0.1
71.01264	0.1
82.72673	0.1
93.03368	0.3
96.45576	0.1
96.95914	0.1
105.03393	0.2
106.99387	0.1
124.23215	0.1
131.77985	0.1
133.02933	0.1
135.04440	0.1
137.02397	0.2
139.03903	0.1
145.02832	0.2
151.03976	0.4
152.01131	0.1
152.04358	0.3
161.02379	1.6
161.03693	0.1
162.02721	1.0
163.02960	0.3
165.05524	0.2
176.04742	1.2
177.05104	0.6
178.05350	0.3
179.03458	2.9
180.03816	1.8
181.03920	0.8
191.05579	0.5
191.07170	2.0
192.07445	1.1
193.04993	0.1
193.07631	0.5
194.05820	3.3
194.07658	0.2
195.06174	2.1
196.06319	0.8
197.06689	0.2
200.52274	0.1
205.08623	0.8
206.08980	0.8
207.09406	0.3
208.07005	0.1
209.08186	6.8
210.08519	4.3
211.08722	2.1
212.09021	0.5
217.72035	0.1
221.08244	0.1
222.08704	0.1
316.84384	0.1
331.19226	5.7
332.19559	7.9
333.19843	5.2
333.23935	0.2
334.20084	2.1
335.20538	0.2
349.20407	0.1
350.20801	0.2
351.20929	0.1
511.51166	0.1
612.26117	0.1
616.01337	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	765.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58500	0.3
59.01250	0.6
63.39887	0.4
63.54438	0.3
63.96118	1.6
67.14830	0.3
69.03359	0.8
70.07240	1.4
71.01272	9.2
73.02826	2.4
78.98480	7.8
79.95630	13.4
79.96100	0.7
80.96410	80.4
81.03349	1.0
82.96005	0.5
87.00778	2.0
94.97986	18.0
95.01292	0.4
96.95914	0.9
97.02840	1.8
99.00780	0.6
101.02346	2.8
106.97986	3.6
107.07007	0.3
122.97511	4.0
125.02367	3.3
127.03956	1.2
134.97519	5.7
135.53995	0.4
136.99088	1.5
146.97520	0.4
148.99098	6.7
152.98569	5.9
153.98817	0.4
156.38638	0.4
164.98590	13.6
167.00124	0.8
173.34599	0.3
176.98599	0.4
196.61301	0.4
206.99701	2.1
209.11841	1.8
225.00763	22.6
226.01042	0.9
255.23296	1.7
283.05038	0.6
373.27597	0.4
509.17307	3.0
510.17050	0.7
537.27496	1.3
765.41150	100.0
766.41479	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	765.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	0.4
58.66454	0.4
59.00990	0.6
59.01266	8.1
61.98718	12.5
66.98563	0.4
68.20991	0.4
69.03336	0.5
71.01262	1.9
71.04910	18.9
71.57838	0.5
72.96408	0.3
73.02836	1.5
75.00751	0.7
83.01315	0.5
83.04922	1.0
85.02827	2.0
85.90152	0.4
93.03357	0.4
95.01270	0.8
96.95926	0.5
97.02867	2.2
101.02338	1.2
107.70309	0.4
108.70361	0.4
109.02859	2.5
109.06512	0.5
110.91527	0.4
111.04409	0.9
113.02360	1.8
121.02924	0.4
121.06496	0.9
123.08080	28.9
124.08420	0.8
127.07571	2.6
127.67384	0.4
133.10118	1.0
147.08104	0.6
161.02368	0.5
161.09677	1.7
163.11215	0.7
165.09251	0.5
173.04584	0.5
173.15733	0.4
175.07645	0.9
177.12830	0.6
183.13884	9.9
189.09180	6.5
189.12784	0.6
191.05574	1.2
191.07108	16.8
191.14388	0.6
191.30412	0.4
192.07539	0.5
195.06551	0.6
195.13901	7.5
197.15407	0.6
201.12904	0.6
205.08679	15.8
206.09134	1.4
207.10164	0.5
213.14951	73.5
214.15312	4.6
217.16000	0.5
219.13934	4.9
221.08163	1.9
227.16541	1.7
231.13956	3.3
237.15163	1.0
245.11868	2.3
249.14899	0.5
255.16034	1.2
263.13025	2.5
275.12955	1.3
285.18677	1.7
287.12912	1.8
287.16217	0.8
289.14786	0.6
303.19705	5.1
329.17654	100.0
330.17993	11.6
331.19315	1.5
343.19183	0.6
347.18713	79.0
348.19031	7.9
361.20264	1.7
371.18719	5.8
372.18927	0.7
389.19843	3.7
390.20123	0.7
543.33423	5.0
585.35040	0.6
765.30103	0.7
765.43671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21007	0.1
57.03303	0.1
59.01267	39.0
59.93229	0.1
60.01601	0.6
61.98716	2.1
62.90306	0.1
69.37152	1.3
69.99545	0.1
71.01285	0.9
71.01613	0.1
72.99191	0.2
73.02871	0.3
75.00793	0.2
78.91696	0.1
78.95792	0.3
83.01301	0.2
85.02847	0.7
87.00758	0.3
89.02357	0.3
93.03373	0.6
95.01324	0.2
96.95922	1.1
96.96874	0.3
97.02867	0.3
100.72703	0.1
101.02359	0.5
108.02109	0.4
109.02880	0.3
111.04383	0.2
113.02360	0.5
116.92786	0.5
119.04964	0.4
121.02902	0.2
123.04446	0.2
123.08093	0.2
133.02881	0.2
134.03671	0.3
135.04459	0.5
137.02367	0.3
139.03931	0.2
145.02888	0.3
147.08092	0.3
151.00304	0.1
151.03966	0.6
152.01051	0.5
153.05518	0.6
155.03430	0.2
158.03664	0.3
159.04495	0.3
161.02412	0.5
161.04463	0.3
163.03943	0.6
165.09109	0.2
173.04510	0.5
173.05911	0.2
175.03979	0.1
179.03436	0.4
181.05043	10.9
182.05418	0.6
187.07623	0.7
189.05658	0.2
191.05591	1.7
191.07112	16.4
192.07462	1.1
193.05070	0.4
194.05730	0.1
195.06558	0.2
196.07405	9.1
197.07744	0.4
201.05695	0.2
205.08690	11.6
206.09259	1.2
207.10132	0.2
209.08154	0.2
211.09755	10.1
212.10085	0.6
215.07051	0.2
221.08229	2.4
231.06616	0.4
231.10313	0.2
233.09526	0.2
255.03062	0.6
275.09225	0.3
283.02576	1.2
285.18646	0.2
313.18210	0.5
314.18369	0.2
329.17889	0.9
330.18146	0.8
331.19226	100.0
332.19571	12.7
337.09274	0.3
349.20279	5.1
350.20535	0.6
412.27371	0.2
447.11838	0.2
463.98004	0.2
476.19852	0.1
540.89484	0.1
557.68713	0.2
686.03204	0.2
705.36609	0.2
721.34167	0.4
734.82019	0.4
765.33453	0.6
765.44763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.6
60.99194	16.5
61.54356	0.1
61.98706	0.3
71.01273	0.7
71.59425	0.3
80.60240	0.1
83.76753	0.1
85.02838	0.2
87.00776	3.4
88.00302	4.3
88.01108	0.4
88.98701	100.0
89.02335	17.9
89.99028	0.9
90.02690	0.2
99.17825	0.1
101.02348	0.5
191.05542	0.2
221.53711	0.2
230.86664	0.2
235.08186	0.2
277.21802	1.1
321.43240	0.2
347.09967	0.2
397.13611	1.5
398.14194	0.3
415.14713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	31.1
60.01606	0.3
61.98715	0.4
62.73867	0.1
69.33751	1.2
69.73993	0.1
71.01266	0.7
73.02835	0.1
80.22624	0.1
85.02868	0.4
95.01261	0.1
97.02880	0.2
97.06479	0.3
98.20615	0.2
99.00826	0.1
101.02347	0.4
104.27965	0.1
107.04948	0.1
113.02342	0.4
119.14718	0.1
123.08067	0.6
125.02360	0.1
127.07542	0.2
145.06497	0.2
147.08092	1.2
151.03961	0.4
153.05489	0.5
153.86247	0.1
158.65881	0.1
159.02942	0.2
161.04494	0.7
161.05659	0.1
161.09676	0.8
163.03918	0.2
163.11244	1.8
165.09111	0.1
181.05025	10.4
182.05382	0.5
189.05466	0.2
191.07111	13.1
192.07431	0.9
196.07384	8.8
197.07677	0.5
205.08684	9.3
206.09192	1.0
207.10260	0.2
211.09755	10.0
212.10040	0.5
221.08188	1.4
269.19196	0.5
287.20181	0.4
303.00269	0.1
313.18137	0.6
324.32141	0.1
331.19217	100.0
332.19559	12.4
349.20285	4.6
349.23666	0.1
350.20557	0.5
406.94220	0.1
425.49118	0.1
625.66357	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	765.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.8
59.93701	0.1
60.99195	16.3
61.77784	0.1
61.98718	1.0
61.99520	0.2
67.59106	0.1
71.01277	0.5
73.13931	0.1
74.33792	0.2
80.39562	0.1
87.00777	5.1
88.00301	4.7
88.01128	0.5
88.84701	0.1
88.98705	100.0
89.02338	30.9
89.99043	1.1
90.01891	0.1
90.02677	0.2
101.02367	0.5
101.24061	0.1
103.91925	0.2
125.02377	0.2
181.40726	0.2
195.06651	0.5
235.08195	0.2
277.21811	1.4
397.13583	2.4
398.14084	0.3
415.14676	0.8
418.93817	0.2
661.10748	0.2
675.35687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
55.97810	0.4
59.01262	0.9
60.77528	0.4
69.03320	0.9
71.01265	2.9
71.30537	0.6
71.30858	0.7
72.73518	0.5
72.99196	1.7
73.02828	1.0
75.38380	0.4
79.32417	0.4
83.01308	0.7
83.47171	0.4
87.00790	0.5
89.02335	1.0
90.38395	0.5
93.03365	1.0
95.01276	1.2
96.95912	0.8
97.06487	0.4
99.00810	1.0
101.02344	1.2
108.02075	59.4
109.02891	12.7
110.03241	0.4
113.02349	2.3
114.93144	0.4
119.04997	0.6
121.02866	1.1
123.00768	0.8
123.04411	0.7
127.63150	0.4
134.03658	0.4
135.04434	1.2
139.12294	0.5
151.00298	0.5
151.03931	1.8
152.01088	100.0
153.01801	6.0
161.04483	1.5
163.03961	5.7
177.01878	1.6
179.03455	0.8
191.05554	1.8
207.02997	1.0
211.06102	0.6
270.09344	0.5
271.08304	0.9
297.06143	0.8
299.01630	0.6
315.07309	1.9
335.22256	1.8
376.97302	0.5
429.10455	11.0
430.10809	1.7
447.11526	21.6
448.11847	1.8
765.33533	81.9
766.33801	18.7
773.39923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.8
59.01270	2.3
61.72850	0.4
61.98690	1.0
69.03342	1.4
69.33527	4.6
71.01266	3.9
72.99205	0.8
73.02823	0.9
76.63241	0.5
81.03377	0.5
87.00753	0.6
93.03336	0.5
95.01289	1.1
97.02845	0.4
98.18559	0.4
99.00770	1.5
101.02345	1.7
108.02075	52.9
109.02896	11.1
110.03241	0.5
110.08205	0.5
111.91792	0.7
113.02370	2.3
121.02888	0.9
123.00803	0.7
123.04499	0.9
125.02501	0.5
134.03687	0.7
135.04443	1.8
149.02448	0.6
151.00288	0.5
151.03925	1.3
152.01096	100.0
153.01758	5.7
161.04565	1.4
163.03938	4.6
164.04305	0.6
175.03996	0.4
177.01945	1.0
179.03523	1.1
191.05493	0.7
197.32823	0.4
201.07970	0.5
207.02995	0.6
271.08215	0.8
297.06174	1.1
315.07446	2.3
335.22321	1.5
347.18961	0.6
391.07227	0.5
429.10468	11.4
430.10660	1.0
447.11530	19.6
448.11951	1.8
765.33527	88.7
766.33887	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	765.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
59.01266	3.5
60.01590	0.4
61.98717	34.3
63.02282	0.4
65.00211	0.4
67.01775	1.3
68.15237	0.4
68.99685	0.4
69.03336	0.4
71.01269	3.6
72.99173	0.5
73.02832	0.7
75.00749	1.1
75.02263	0.8
78.95793	0.6
81.03352	1.1
83.01267	0.8
83.04929	1.8
84.46269	0.3
85.02840	3.7
86.03220	0.4
87.00775	1.7
89.02328	0.7
89.03897	0.6
91.01841	0.3
91.05435	3.8
93.03356	11.3
94.03688	0.5
95.01276	1.4
95.04935	0.4
97.02865	0.4
99.00776	0.9
103.01835	0.5
105.03364	2.0
107.04937	8.5
107.05637	0.6
108.02060	0.4
108.05251	0.4
109.02864	1.1
111.00788	1.0
111.04430	5.9
112.40594	0.4
113.02334	1.7
117.03374	1.6
119.01331	0.4
119.04943	2.4
120.02105	0.4
121.02867	1.9
123.04413	0.7
127.03958	1.0
129.01868	1.1
131.01306	7.2
132.01950	0.5
133.01373	0.5
133.02884	14.6
134.03676	11.2
135.04446	45.2
136.04787	2.3
137.02362	1.9
145.02890	1.1
147.00822	1.6
147.04286	0.4
148.01593	8.6
149.02354	1.5
151.03860	0.4
152.01111	0.7
155.03436	7.5
156.03722	0.4
161.02382	6.4
163.03954	32.4
164.01154	0.4
164.04364	1.9
165.01932	0.5
168.99658	0.3
169.06615	0.4
173.04507	22.4
174.03191	1.0
174.04924	0.8
175.00327	2.7
176.01089	1.5
177.01878	10.0
178.02365	0.5
179.03456	6.9
180.03888	0.7
181.06522	0.9
182.07309	0.6
191.05577	10.0
194.05811	0.6
197.09721	0.6
199.03911	0.4
207.02972	55.8
208.03316	2.3
209.08197	5.2
210.08461	1.8
211.07391	0.3
211.11339	0.5
225.03912	0.8
225.12958	0.6
254.84692	0.4
265.16074	0.8
271.02615	2.8
281.22849	0.5
283.02640	0.4
299.02023	4.8
300.02621	1.1
308.21494	4.0
309.22137	1.7
313.25583	0.7
323.23807	4.1
324.21021	2.6
324.24207	0.5
325.21539	1.0
326.19037	0.4
331.19211	0.9
332.19388	0.4
335.07748	3.1
335.20230	1.6
337.04004	0.4
337.21771	1.3
339.05292	0.5
339.23328	1.0
351.19666	0.4
352.20560	1.0
353.08859	1.2
363.19843	0.8
367.10541	0.8
367.23102	1.1
379.19138	0.8
381.03516	0.8
381.08310	10.0
381.20789	7.2
382.08621	0.9
382.21271	1.5
385.23956	1.5
411.21838	27.2
412.22147	3.8
455.35263	0.5
543.11273	0.4
545.86688	0.4
585.27161	100.0
586.27527	20.6
603.28241	15.7
604.28522	3.8
667.42328	0.4
747.29822	1.7
748.30920	0.7
764.43097	7.6
765.43756	13.0
766.45111	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	765.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41106	0.4
55.01770	1.0
57.03334	4.0
58.00474	0.9
59.01263	13.2
61.98730	0.4
66.29241	0.3
67.01438	0.3
67.01751	1.9
68.99701	2.5
69.03336	1.8
71.01270	27.0
71.56947	0.6
71.57332	0.4
72.01591	0.6
72.20992	0.3
72.99199	4.7
73.02826	1.2
75.00764	11.1
78.95786	1.0
80.02565	6.2
81.03329	0.8
83.01289	2.1
83.04922	0.8
84.02048	0.4
85.02887	30.5
85.99992	0.5
86.03216	0.4
87.00771	10.1
89.02332	5.1
91.03899	1.0
93.03356	2.2
95.01289	6.6
95.04930	0.5
96.95898	1.5
96.96899	0.3
97.02846	0.5
99.00793	7.7
99.04414	5.4
101.02341	1.4
103.00275	2.6
107.04944	0.5
107.08556	0.8
108.02062	0.5
109.02850	0.7
111.00777	2.4
111.04417	0.8
112.01566	1.2
113.02357	33.9
114.02713	0.6
115.00293	2.0
115.03939	0.5
117.01836	1.1
119.04906	0.8
121.06508	1.1
121.68288	0.4
127.03913	0.8
129.01865	3.4
131.03415	0.9
134.03563	0.4
135.04471	0.4
137.02394	0.7
138.22476	0.3
139.00305	0.9
145.02867	1.0
152.01103	0.5
157.01335	0.9
161.02420	0.4
161.13280	0.5
163.04030	0.9
173.04489	1.0
175.02435	1.3
189.03967	0.8
189.12822	19.9
190.13156	1.6
191.05579	4.5
192.05994	0.5
193.05038	0.7
195.06558	0.4
205.07182	1.9
207.05069	0.8
207.13895	8.3
208.14188	0.9
231.05286	0.4
233.09634	0.7
233.11798	2.0
249.06192	6.5
251.12962	4.2
252.66150	0.4
253.14439	0.8
263.07700	1.4
267.07266	16.7
268.07681	0.7
281.08786	4.5
325.16586	0.4
439.19839	5.7
440.20291	0.7
483.18832	1.5
493.24594	2.1
497.20517	2.6
501.19968	1.1
515.21362	1.0
575.23450	3.6
576.23566	0.6
589.24915	2.3
689.26410	0.9
733.26013	1.7
747.27374	1.3
765.28351	100.0
766.28662	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	764.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.7
61.98716	100.0
62.98419	0.3
69.42619	0.4
69.43025	1.3
71.01266	0.3
78.95821	0.2
85.02879	0.4
89.02353	0.3
89.42815	0.2
92.29429	0.2
93.03362	0.4
96.95906	1.3
111.04440	0.3
123.08064	0.2
124.01582	0.2
133.02849	0.4
134.03671	0.3
135.04440	0.5
137.02357	0.2
152.01093	1.0
161.02425	0.7
173.04480	1.0
179.03461	0.4
191.05545	1.1
193.05035	0.4
194.05795	0.8
209.06183	0.4
209.08176	8.1
210.08574	0.6
221.15509	0.2
271.02780	0.2
299.02072	0.4
311.39877	0.2
318.46024	0.2
329.17657	1.3
353.08713	0.3
367.10452	0.2
368.10501	0.2
740.55676	0.2
764.43677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	20.7
58.00470	0.7
59.01263	26.0
61.82112	0.4
62.04613	0.4
67.01778	0.8
68.82329	0.4
68.99697	0.7
69.03333	1.0
69.22574	5.0
71.01267	17.5
72.99191	2.6
73.02822	2.5
73.88276	0.4
75.00758	10.9
81.03359	1.1
83.01287	1.4
85.02840	17.3
87.00766	5.7
89.02340	5.4
91.03907	0.6
91.05428	6.1
93.03346	1.1
95.01292	4.3
99.00774	6.4
99.04419	16.7
101.02345	6.9
103.00278	1.4
109.02893	0.6
111.00779	0.6
113.02355	24.0
114.02699	0.4
115.00261	1.5
117.01848	1.7
117.03347	2.3
119.04865	0.4
121.02825	1.1
125.02377	4.9
129.01865	1.3
131.03477	0.6
135.04443	5.9
136.04727	0.5
139.00365	0.4
143.03438	0.8
144.37770	0.4
161.02374	0.5
161.04483	1.4
173.04520	0.4
175.02437	1.7
179.03491	0.7
191.05566	3.8
205.07172	0.7
207.05081	1.3
223.08316	0.5
225.11285	1.1
226.11722	0.7
231.05113	1.8
235.11880	6.6
249.06198	22.6
267.07269	58.6
268.07571	2.7
277.13086	3.0
316.83173	0.4
317.16049	0.7
349.74106	0.5
365.18353	0.8
373.18594	0.5
379.16177	18.2
380.16534	1.7
385.11484	100.0
386.11835	8.2
502.07599	0.5
527.11792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.6
60.01591	0.6
61.01702	0.2
61.98717	100.0
62.98417	0.1
70.57331	0.4
71.04936	0.2
95.58308	0.1
105.03410	0.2
113.02417	0.1
123.08064	0.9
124.08435	0.3
133.02930	0.1
135.04466	0.2
151.03976	0.5
152.04097	0.1
161.02388	2.2
162.02725	1.1
163.02892	0.3
176.04745	1.2
177.05186	0.6
178.05290	0.3
179.03458	4.0
180.03813	1.9
181.03957	0.6
182.04349	0.2
191.05542	0.3
191.07097	1.7
192.07442	0.9
193.07845	0.2
194.05829	3.5
195.06155	2.2
196.06398	0.8
197.06671	0.1
202.29750	0.1
202.82573	0.1
205.08739	0.9
206.09142	0.5
207.09218	0.2
209.08188	7.9
210.08519	4.4
211.08734	1.9
212.09042	0.5
262.44788	0.1
271.02463	0.1
284.38272	0.1
299.02161	0.5
329.17661	2.0
330.17999	3.2
331.18878	3.9
332.19412	3.4
333.19653	0.2
347.18930	0.4
348.18991	0.7
349.19586	0.4
350.19702	0.3
664.96191	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	763.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.8
58.00474	0.6
59.01266	15.5
61.98718	5.0
67.01776	1.1
68.99696	0.5
69.02029	0.5
71.00899	0.8
71.01277	14.2
72.99197	2.8
73.02843	0.8
73.70538	0.4
75.00777	3.7
83.01292	3.2
85.02850	8.7
87.00770	1.8
88.98695	0.6
89.02342	10.5
95.01298	5.0
96.95925	2.2
97.02851	1.5
99.00792	4.6
101.02356	2.8
102.98882	0.5
108.92964	0.5
111.00792	6.5
113.02377	8.2
116.53004	0.4
120.18009	0.5
126.97734	0.5
129.01851	1.1
131.03419	1.5
139.00284	3.5
157.01366	0.9
191.05530	1.5
222.14819	0.4
236.55952	0.6
411.58499	0.6
437.34372	1.2
438.34799	0.6
453.33826	2.0
454.34494	0.6
455.35303	5.3
456.35812	1.0
473.77298	0.5
483.34842	3.6
511.34464	0.6
523.38263	0.6
537.35577	1.4
551.37811	4.5
552.37811	1.1
569.38495	1.8
571.36353	0.8
628.56915	0.5
763.42938	100.0
764.43341	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03313	1.3
58.00470	0.8
59.01268	12.0
61.98707	1.7
67.01768	1.2
68.99694	0.9
69.03339	0.4
71.01271	12.4
71.01867	0.5
71.60731	0.7
72.99197	2.7
73.02831	1.1
75.00771	4.6
83.01279	3.3
85.02843	9.8
87.00761	0.8
87.84228	0.4
89.02337	6.2
93.03376	0.6
95.01276	5.0
96.95907	0.5
97.02852	1.8
99.00792	4.6
101.02322	0.9
111.00797	5.5
113.02355	7.2
121.02837	0.4
129.01860	1.0
130.99770	0.4
131.03452	0.9
135.04453	0.4
139.00305	3.3
157.01366	0.9
191.05525	2.7
194.26561	0.4
209.08211	2.4
319.22800	0.8
331.19281	1.6
437.34000	0.6
453.33905	2.0
455.35504	4.9
456.35669	0.7
483.34830	2.6
511.34302	0.7
537.35773	0.9
551.37494	3.4
552.37463	0.5
569.38385	2.8
570.39044	0.5
763.42926	100.0
764.43268	24.6
764.63922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	45.2
61.98722	0.5
68.57508	0.3
69.26280	3.2
71.01277	2.6
71.04913	5.5
71.05304	0.4
72.99197	0.4
73.02841	0.9
75.00774	0.8
75.59254	0.2
81.03320	0.4
83.01287	0.5
85.02851	2.8
87.00819	0.3
88.04559	0.3
88.98718	1.2
89.02365	0.7
93.03331	0.7
95.01293	0.9
96.95916	0.9
97.02858	0.9
99.00782	0.7
101.02358	1.2
107.04945	0.6
108.02077	2.6
109.02882	1.4
109.06513	0.3
111.04398	0.3
113.02356	1.8
116.92747	0.3
121.06507	0.8
123.08082	17.9
124.08464	0.6
125.02380	0.3
125.09631	0.3
127.03934	0.4
127.07552	0.6
133.02846	0.6
134.03627	0.3
135.04460	0.9
137.02373	0.3
143.03418	0.3
147.08148	0.3
150.03178	0.5
151.00296	0.3
151.03935	1.8
152.01108	4.6
153.05534	1.7
161.02371	1.7
161.04536	1.1
161.09680	1.3
163.03981	0.4
163.11275	0.4
165.05586	0.4
173.04506	0.6
175.03947	0.4
175.07565	0.5
176.04633	0.3
179.03424	1.4
181.05031	26.8
182.05394	1.1
189.09206	1.8
191.05579	2.5
191.07103	12.3
192.07492	0.9
194.05885	0.8
195.06604	0.4
196.07393	23.6
197.07739	1.1
199.03978	0.6
201.12805	0.5
203.03560	0.4
205.08696	12.0
206.09238	1.1
209.08235	2.2
210.08450	0.3
211.09756	31.6
212.10089	1.7
214.02724	0.8
215.03510	0.8
219.13878	1.3
221.08159	2.0
226.02704	0.4
227.03485	0.8
231.13931	0.6
241.01543	0.8
242.02242	3.4
243.03003	5.3
244.03485	0.6
245.00983	0.6
245.11867	1.9
255.03015	1.3
257.04639	1.2
263.12857	0.4
270.01770	3.7
271.02524	8.8
272.02948	1.3
275.13046	0.4
285.04071	3.1
285.18637	2.6
286.04684	0.9
287.16711	0.4
298.01077	0.7
299.02032	3.2
300.02777	5.4
301.02866	1.1
303.19797	2.2
311.16635	0.3
313.03616	17.2
314.04306	9.9
315.05164	13.3
316.05539	0.9
329.17651	100.0
330.18002	9.5
331.19217	2.2
347.18713	36.7
348.19019	3.6
353.09027	0.3
355.18835	0.3
357.29718	0.3
371.18747	1.1
389.19482	0.5
429.10696	0.7
447.11566	1.3
491.22919	0.4
719.35034	4.9
720.35388	0.9
763.32068	4.4
763.84479	0.4
764.32343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	34.4
60.01599	0.2
61.93176	0.2
62.75497	0.2
71.01276	0.6
73.02806	0.3
85.02832	0.3
89.02354	0.4
93.03375	0.2
95.04891	0.2
97.02815	0.3
98.20564	0.5
101.02370	0.4
102.00233	0.2
105.03380	0.9
113.02353	0.8
121.02871	0.3
123.08069	0.6
133.02911	0.6
135.04471	0.2
143.03391	0.3
147.08089	0.7
151.03958	2.9
161.02385	17.3
161.04523	0.5
161.09634	0.8
162.02737	0.8
163.11269	1.3
165.09183	0.2
176.04747	11.5
177.05144	0.5
179.03456	28.0
180.03767	1.1
188.66925	0.2
191.07104	15.2
192.07399	0.9
194.05817	31.0
195.06189	1.5
198.32077	0.2
205.08694	7.5
206.09096	1.0
209.08180	53.0
210.08508	2.9
217.24495	0.2
221.08167	1.5
222.08838	0.2
269.19174	0.7
287.20193	0.2
313.18185	0.5
331.19208	100.0
332.19568	9.7
349.20267	3.9
350.20386	0.4
439.32263	0.3
588.79333	0.2
624.29565	0.2
704.81866	0.2
744.77368	0.2
763.33893	0.9
763.84180	0.8
764.33398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73312	0.1
59.01265	49.6
60.01603	0.6
61.98717	1.7
69.40740	1.1
71.01260	0.3
81.03342	0.2
85.02833	0.3
85.27161	0.1
93.03381	0.5
95.04904	0.2
96.95924	0.4
98.19806	0.3
105.03364	1.1
107.04955	0.1
109.02858	0.3
113.02351	0.2
117.03367	0.2
119.04939	0.2
121.02889	0.4
123.08098	0.3
133.02859	0.6
135.04492	0.3
147.04459	0.3
147.08072	0.3
148.05162	0.2
149.06038	0.2
151.03954	3.2
161.02394	17.4
162.02762	1.0
163.03966	0.5
165.05521	0.2
173.04541	0.3
175.04007	0.2
176.04753	12.0
177.05107	0.9
179.03462	30.0
180.03821	1.7
187.11302	0.3
191.05698	0.7
191.07108	20.0
192.07439	1.3
193.04958	0.2
194.05823	35.1
195.06210	2.0
203.10770	0.6
205.08687	10.9
206.09248	1.2
207.10287	0.3
209.08186	72.3
210.08508	4.0
221.08192	2.5
249.09117	0.2
269.18985	0.2
304.76993	0.1
311.09265	1.5
312.09613	0.2
313.18124	0.6
329.17676	1.1
330.18048	0.9
331.19217	100.0
332.19556	10.6
349.20279	2.6
350.20410	0.2
404.83017	0.2
459.11295	0.2
719.32697	0.2
733.22052	0.2
763.36554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.5
58.00480	0.9
59.01267	64.6
60.01616	1.0
61.98719	15.9
67.01775	0.8
68.99716	0.7
69.36417	2.7
69.36836	4.6
71.01266	14.8
71.04904	5.5
72.99200	2.9
73.02808	3.8
75.00773	1.8
81.03371	1.4
83.01279	2.2
85.02850	12.2
87.00780	3.9
88.98705	1.3
89.02340	7.5
93.03369	4.6
95.01308	2.9
96.95910	3.4
97.02837	2.1
99.00810	3.8
99.04406	1.3
99.92502	2.4
101.02345	5.0
105.03371	0.9
107.04919	0.9
107.27325	0.6
108.02121	4.8
109.02867	1.4
111.00790	1.5
111.04429	1.7
113.02357	10.4
115.03909	0.8
116.92776	35.4
117.01849	2.7
117.92785	2.2
119.03432	1.1
119.04964	1.5
121.02877	1.2
121.06512	0.9
123.04462	1.7
123.08088	18.1
124.08404	2.1
125.02367	1.0
127.03954	1.4
131.03429	2.7
133.02893	1.1
135.04454	2.3
137.02370	1.7
139.00310	1.1
143.03441	0.9
145.02832	1.0
151.03984	2.4
152.01120	6.6
153.05511	2.1
161.02403	6.2
161.04474	1.8
161.09686	1.8
162.02730	2.2
163.03972	2.2
165.05521	0.8
173.04509	2.9
176.04750	4.6
177.01917	1.6
177.05148	1.2
179.03456	10.2
179.05652	0.7
180.03847	1.7
181.05048	23.6
182.05359	0.7
185.58723	0.7
189.09171	3.2
191.05579	9.7
191.07140	12.7
192.04103	0.9
192.05850	1.0
192.07460	2.0
193.05023	1.0
194.05846	7.8
195.06352	2.2
196.07399	20.5
205.08699	14.1
205.12317	1.2
206.09094	2.2
209.08199	18.4
210.08572	5.6
211.06528	1.1
211.09808	27.2
212.10042	1.2
219.13799	1.7
221.08212	1.9
231.13838	1.2
231.96416	0.7
245.11850	1.2
285.04102	0.9
285.18549	2.2
287.12979	0.9
303.19696	1.8
329.17648	100.0
330.17999	17.0
331.19061	15.7
332.19302	1.7
341.42969	0.8
347.18747	33.4
348.19016	5.1
349.19904	1.3
397.20660	1.7
429.10199	1.5
447.11423	2.2
455.31223	0.8
487.34268	2.7
493.24585	6.4
494.25137	1.1
682.32178	3.4
682.81592	3.7
697.32141	0.9
731.26355	2.1
763.33777	30.4
763.84271	20.5
764.34094	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	763.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70189	0.7
59.01266	5.1
61.98729	2.7
66.37865	0.5
71.01275	5.4
71.57108	0.9
72.99213	1.0
73.02839	1.8
75.00759	0.9
78.95794	0.9
81.03352	0.8
83.01260	0.8
85.02850	4.6
87.00795	1.4
89.02348	2.2
93.03347	1.3
95.01307	1.3
96.95931	4.7
97.02885	0.7
98.95515	1.5
99.00788	1.7
101.02346	2.1
108.02079	54.8
109.02897	12.3
113.02335	3.5
116.92770	1.2
119.27215	0.5
121.02895	1.0
121.20425	0.6
123.00801	0.7
123.04430	1.0
125.02339	1.5
127.07577	2.8
133.02867	2.1
134.03615	1.4
135.04463	3.1
137.02376	1.3
139.03865	0.7
149.02409	0.8
151.00301	1.2
151.03967	2.7
152.01094	100.0
153.01871	6.8
159.14780	0.6
161.02368	2.0
161.04482	2.6
163.03976	4.3
163.11296	0.7
166.53560	0.6
173.04538	1.1
173.35298	0.7
175.04082	0.7
177.01859	2.1
179.03444	2.4
183.13896	0.7
189.12697	0.7
191.05562	3.5
195.06589	1.2
200.61801	0.6
200.76276	0.6
207.02950	1.2
268.26331	0.6
271.08643	0.7
289.21744	3.6
297.06171	1.0
299.01993	0.7
315.07370	3.6
329.17636	2.5
330.91232	0.6
331.19177	0.9
333.20755	0.7
357.08618	0.6
424.11295	0.7
429.10461	10.0
430.11099	0.7
447.11542	21.4
448.11874	2.2
451.68887	0.7
719.33051	1.1
763.31952	90.8
764.32373	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
57.57162	0.3
59.01265	13.6
61.98826	0.3
71.01267	5.8
71.59215	0.5
72.99225	0.5
73.02830	4.7
76.22054	0.3
78.95793	4.6
83.01278	1.9
85.02836	2.2
89.02341	1.4
91.05424	0.6
93.03346	0.9
95.01287	0.5
96.95921	0.7
96.96875	3.8
97.02862	0.4
99.00774	1.1
101.02344	5.9
107.04952	1.4
113.02342	2.4
117.03397	1.0
119.03420	0.6
119.04964	0.4
123.04369	0.4
125.41528	0.3
133.02881	16.1
134.03706	4.9
135.04449	83.0
136.04788	3.4
137.02458	0.3
149.04449	0.8
149.09671	3.0
152.00929	0.4
161.02391	48.5
161.04561	2.2
162.02736	2.5
167.03447	0.9
173.04526	0.6
179.03462	59.1
180.03793	3.0
191.05608	2.0
195.06561	0.5
233.09479	4.2
235.11868	3.0
300.02545	0.5
355.08276	0.5
367.16360	0.4
371.17044	0.6
421.09598	0.3
529.19354	100.0
530.19714	13.8
530.27838	0.8
551.53418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85098	0.5
56.63470	0.4
59.01266	3.7
60.29638	0.5
60.99200	0.5
61.30413	0.6
67.01772	1.4
67.85886	0.4
69.03339	0.5
69.64217	0.6
71.01273	2.3
71.53384	0.4
71.56706	0.6
73.02833	1.2
78.95795	10.7
81.03353	1.5
82.71684	0.5
82.95305	0.6
83.02399	1.0
83.04919	3.5
85.00348	0.5
85.02847	2.6
87.00777	1.4
88.98708	3.1
89.02336	1.0
89.03859	1.3
93.03358	12.8
96.95923	5.6
96.96858	8.5
101.02338	0.9
107.04939	1.0
108.02080	0.6
109.02860	1.6
111.00806	0.8
111.04430	11.1
111.81708	0.5
111.92481	0.5
113.02355	0.8
117.03366	5.0
119.04958	1.3
127.03927	1.4
129.01770	0.5
132.02095	0.8
133.02911	7.6
134.03668	58.9
135.04462	46.5
136.04776	1.6
137.02374	10.2
138.55156	0.5
146.34549	0.5
149.06032	5.7
155.03456	24.2
159.04459	1.2
160.01614	6.2
161.02390	31.6
162.02779	1.7
163.03923	1.5
173.04510	51.2
174.04842	1.9
175.03966	8.2
178.02742	0.8
179.03465	46.2
180.03799	1.5
189.79025	0.5
191.04202	0.3
191.05579	14.7
193.05037	67.9
193.43977	0.6
194.05315	3.6
203.03487	1.3
205.80534	0.6
209.41954	0.5
211.07727	1.0
219.93561	0.5
233.09518	8.0
234.09830	1.0
249.09067	3.4
255.06578	0.9
268.00879	0.6
299.05911	0.6
335.07797	14.7
336.08026	1.2
337.09329	1.1
349.09366	9.4
350.09763	0.6
353.08881	16.6
367.10428	19.4
367.21271	1.1
368.10818	1.4
529.13629	100.0
530.14020	14.7
597.37946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.4
63.02288	1.0
65.00199	1.0
69.42433	0.8
69.42864	0.7
77.04215	0.2
78.87051	0.1
83.01266	0.4
85.02853	0.2
87.48991	0.1
89.00208	0.2
89.47371	0.1
93.03367	0.4
107.01290	1.3
108.02079	0.2
109.02853	1.5
117.03394	0.2
119.01269	0.2
131.04918	0.2
133.02881	2.2
135.00803	0.3
135.04408	0.4
143.04945	0.8
145.02859	0.5
147.00807	0.2
147.04401	0.4
149.02367	0.2
151.00323	1.6
153.87485	0.1
155.04939	0.6
157.02925	0.8
160.98752	0.2
161.02379	0.6
163.00337	0.2
163.03929	0.3
169.02814	0.2
170.03575	0.2
171.04488	2.6
173.02344	0.5
173.04509	0.3
175.03955	1.5
178.99826	0.2
179.03413	0.2
183.04480	0.5
185.02390	0.4
187.03981	1.7
189.01811	0.2
189.05580	0.3
191.03975	0.1
191.05573	1.0
192.06053	0.2
197.02428	0.6
198.03244	0.8
199.03998	6.4
200.04356	0.3
201.01921	1.9
203.03493	0.5
203.19162	0.2
211.04041	0.2
213.01820	0.3
214.02661	0.5
215.03477	2.7
225.01868	0.3
226.02789	1.3
227.03497	3.6
228.03766	0.2
229.01430	0.2
231.03090	0.2
241.01509	0.5
242.02191	1.2
243.03004	4.3
244.03429	0.3
255.02977	1.7
270.01782	0.4
271.02536	46.7
272.02878	3.1
282.01889	0.5
298.01242	0.2
299.02032	100.0
300.02469	9.1
301.03488	1.2
313.03580	0.3
335.01401	0.2
339.04901	0.2
344.10202	0.2
353.08670	0.2
461.07355	0.7
463.09000	1.5
469.94257	0.2
763.34290	0.3
763.83905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45932	0.4
57.38087	0.5
59.01264	100.0
60.01605	1.1
61.98711	0.9
71.04905	0.5
71.57084	0.5
78.95798	1.1
85.02844	15.2
93.74113	0.5
99.08061	7.2
108.48547	0.5
111.86931	0.5
113.09613	0.8
120.41160	0.5
121.61119	0.4
122.08281	0.5
126.33775	0.5
152.99554	1.0
158.66475	0.4
167.10727	4.7
185.11795	35.6
186.12149	1.1
191.05623	0.5
203.12872	91.4
204.13191	5.5
225.11189	0.6
227.12926	0.8
245.11607	0.9
245.13963	12.3
246.14294	0.6
255.23238	1.3
271.15515	1.5
277.21683	0.5
353.23328	6.6
354.23871	0.5
355.35754	0.5
371.24457	11.5
372.24796	1.2
389.25531	9.8
390.25845	1.1
431.26440	1.1
525.83746	0.5
539.35730	2.9
557.37061	7.1
558.37177	1.4
575.38159	14.7
576.37903	2.6
743.49811	0.7
761.50903	7.2
762.50696	1.5
787.07153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.1
58.00475	1.3
59.01269	30.8
60.01616	1.8
69.03345	1.0
69.38000	1.0
69.38394	5.5
71.01272	17.5
71.04908	0.7
72.01605	1.6
72.99220	0.9
73.01740	0.8
73.02838	9.8
73.11852	0.6
74.03180	1.7
75.00761	0.6
76.87595	0.6
78.95799	29.4
83.01277	4.1
83.77580	0.6
85.02847	12.1
87.00771	1.3
89.02345	8.2
93.03358	1.6
95.01279	1.3
96.95904	1.4
96.96867	21.2
97.02860	30.9
98.03177	1.1
99.00747	0.8
101.02362	9.7
102.02699	1.3
108.02129	0.8
109.02866	2.6
113.02362	4.9
117.03367	0.7
119.03438	2.2
119.04906	3.6
123.04474	0.7
123.08071	2.3
127.07595	10.1
128.07924	2.6
129.08054	0.8
137.02419	0.9
145.02895	1.7
147.08031	0.6
151.03979	0.8
161.04570	0.6
162.03221	0.7
163.03949	2.5
165.05525	5.6
173.04501	1.2
177.12741	0.8
179.05583	0.8
191.05586	4.2
191.07062	0.9
201.12906	1.1
205.08739	0.7
207.04279	0.8
213.55632	0.7
219.13904	10.5
220.14284	1.5
233.09515	28.9
234.09863	2.2
237.15002	4.7
243.05154	0.7
249.09038	1.7
267.17535	0.8
285.18680	1.6
287.20291	0.6
311.16614	2.8
313.18130	2.3
314.18527	2.6
315.18890	1.5
328.09720	0.9
329.17654	13.1
330.18066	1.7
331.19138	2.0
332.19672	1.9
343.11938	0.7
347.18716	21.5
348.19083	2.6
353.32965	0.6
365.19489	1.0
399.97964	0.7
403.14096	2.7
494.24728	0.7
495.25424	1.7
509.24500	0.9
511.25302	0.9
512.25934	1.6
513.26398	2.6
527.25122	100.0
528.25421	14.7
535.25702	3.0
536.26141	4.6
537.26050	7.8
553.13544	0.7
553.26740	10.0
554.26978	14.8
555.27289	35.7
556.27600	3.4
690.95355	0.7
738.60071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42641	0.2
57.08632	0.2
59.01259	0.6
62.96288	0.2
69.90891	0.7
71.01270	0.9
72.99200	1.3
73.02832	0.3
78.95795	64.4
82.91399	0.2
85.02842	0.6
85.29642	0.2
87.00765	0.6
93.03339	0.4
96.96866	52.0
97.02858	0.3
98.19822	0.2
101.02322	0.4
109.27419	0.2
113.02306	0.3
113.03613	0.2
117.03395	0.3
119.04945	8.9
120.05245	0.6
127.07562	0.4
133.02870	0.2
135.04424	0.4
145.02858	0.5
145.37912	0.2
159.10188	1.7
163.03966	5.1
173.04420	0.2
175.66554	0.2
179.03523	0.3
191.05586	1.0
207.04228	0.3
219.13680	0.2
233.09503	100.0
234.09831	6.5
249.09021	0.3
265.08588	0.5
321.15576	2.8
322.15829	0.3
327.08984	0.2
329.17648	0.2
330.41656	0.2
347.18832	0.5
365.19766	4.5
366.20163	0.5
375.10007	0.2
439.12469	0.6
457.13669	1.1
458.14069	0.3
466.81018	0.2
527.25134	0.4
628.83856	0.2
761.29382	3.9
762.28418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57660	0.2
59.01264	37.2
60.01607	0.7
70.54939	0.8
71.01286	0.6
71.04912	2.4
85.02842	0.4
92.51893	0.2
92.61215	0.2
93.03359	0.2
95.04924	0.4
96.95899	0.7
101.02338	0.3
105.03372	1.7
107.04909	0.3
109.02872	0.3
113.02377	0.3
121.06503	0.6
123.08076	12.9
124.08396	0.5
133.02881	0.9
133.10249	0.2
135.04416	0.6
146.59218	0.2
147.04578	0.3
147.08092	0.3
150.03191	0.3
150.49095	0.2
151.03938	5.3
161.02399	25.7
161.09648	0.9
162.02774	1.3
176.04753	13.7
177.05136	0.8
179.03467	40.2
180.03786	2.3
189.09183	1.0
191.05673	0.8
191.07112	14.9
192.07460	0.9
193.05017	0.4
194.05826	39.5
195.06236	1.9
205.08684	8.7
206.09102	0.7
209.08186	100.0
210.08514	6.1
219.13896	0.6
221.08163	0.9
240.04315	0.4
245.11848	0.9
255.06685	0.8
259.16739	0.3
263.12549	0.3
270.09055	0.5
271.02463	0.6
271.09851	0.3
285.18549	1.4
299.01999	0.7
301.10812	0.4
303.19687	0.8
329.17639	71.5
329.58224	0.3
330.17981	9.0
347.18707	16.6
348.18964	1.7
350.70407	0.2
353.08990	0.2
371.18698	1.0
407.71481	0.2
438.48108	0.2
491.23077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14956	0.1
59.01266	7.0
61.98713	0.1
67.72388	0.1
68.71439	0.1
70.91955	0.2
70.92287	0.1
71.01283	0.3
72.97482	0.1
77.03858	0.2
85.02854	0.1
88.98689	0.7
93.03384	0.5
95.04936	0.5
96.95912	1.4
100.40794	0.1
105.03384	0.3
113.02365	0.2
116.92847	0.1
121.02859	0.8
123.04453	1.1
135.04466	0.2
149.02394	4.1
161.02393	0.1
161.09732	0.1
163.03967	0.7
163.11223	0.2
177.01900	47.1
178.02245	2.5
179.03409	0.2
184.51825	0.1
191.03558	1.1
191.05603	0.3
191.07092	1.7
192.04263	60.2
193.04599	3.8
194.05817	0.4
204.16292	0.1
205.08746	1.3
206.09111	0.2
207.06624	100.0
208.06969	6.2
209.08220	0.6
221.08194	0.3
292.97488	0.1
329.17700	0.3
331.19241	13.2
332.19586	1.5
349.20322	0.2
462.28195	0.1
514.66498	0.1
761.31097	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37831	0.1
59.01264	12.9
60.01604	0.2
60.13143	0.1
65.00243	0.1
69.80667	0.1
71.01265	0.2
72.99212	0.1
76.02966	0.1
85.02853	0.3
87.00774	0.1
89.02359	0.1
93.03355	0.8
95.04925	0.5
96.95895	0.2
105.03402	0.2
111.04453	0.2
113.02367	0.2
121.02869	1.0
123.04444	1.2
123.08064	0.1
133.02853	0.1
135.04387	0.2
137.02354	0.7
149.02377	4.8
149.03574	0.2
151.03990	0.3
151.07451	0.2
161.02383	1.7
163.03979	0.7
175.03865	0.2
176.04709	0.9
177.01891	51.5
178.02208	2.5
179.03456	2.7
191.03543	1.0
191.05591	0.5
191.07112	4.1
192.04256	62.9
193.04616	2.9
194.05809	2.9
195.06616	0.8
205.08707	2.5
206.09357	0.3
207.06618	100.0
208.06956	5.7
209.08186	7.0
210.08492	0.3
221.08165	0.4
245.30089	0.1
246.00981	0.1
329.17633	0.8
331.19214	19.9
332.19568	2.1
347.18698	2.7
348.19107	0.2
349.20401	0.3
354.73553	0.1
357.12372	0.2
371.18787	0.2
452.18893	0.2
483.79550	0.1
730.78986	0.3
731.30200	0.2
739.81921	0.1
743.28711	0.2
761.30743	0.4
762.31158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79733	0.1
59.01266	11.7
61.98739	0.2
65.00218	0.2
69.03348	0.2
69.45351	0.8
69.45768	0.3
71.01259	0.6
72.99192	0.4
73.02843	0.2
75.00751	0.2
78.95801	0.1
81.03351	0.2
83.01274	0.2
85.02838	0.9
87.00766	0.1
87.04398	0.2
88.98685	0.7
89.02360	0.2
93.03357	0.8
95.04934	0.4
96.95915	0.4
98.20564	0.2
99.00788	0.2
101.02341	0.3
105.03368	0.3
105.88632	0.1
107.01264	0.2
109.02910	0.2
109.06516	0.1
111.00795	0.1
113.02345	0.7
121.02849	0.9
123.04457	1.1
123.08030	0.3
125.02379	0.6
133.02884	0.4
135.04489	0.3
137.02376	2.9
143.03459	0.2
149.02393	4.0
150.02881	0.2
151.03944	0.2
151.07584	0.7
161.02367	1.4
162.03069	0.1
163.03963	0.7
176.04800	0.5
177.01903	48.0
178.02246	2.5
179.03453	2.1
189.05553	0.2
191.03568	1.2
191.05569	0.7
191.07106	3.6
192.04269	59.6
193.02841	0.2
193.04601	3.5
194.05833	2.1
195.06610	2.6
205.08710	2.6
205.10461	0.2
206.09326	0.2
207.06625	100.0
208.06964	6.3
209.08197	4.3
210.08482	0.2
212.28822	0.1
221.08188	0.5
223.06078	0.2
231.06688	0.3
240.07895	0.2
269.19370	0.1
271.02466	0.2
285.18808	0.2
299.02063	0.4
309.23535	0.1
329.17661	1.0
331.19208	17.8
332.19537	2.1
347.18741	1.8
348.19144	0.2
349.20374	0.2
487.34442	0.1
623.13519	0.1
687.30396	0.3
689.32391	0.8
689.82318	0.4
690.32410	0.3
731.28912	0.2
743.29639	0.9
744.29364	0.2
761.30682	1.0
762.32281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00516	0.4
59.01266	9.1
59.98417	0.3
61.98684	0.4
69.23975	3.5
71.01273	5.6
71.04908	0.3
72.99210	0.7
73.02841	2.3
83.01237	0.7
83.04929	0.5
85.02845	4.1
87.00771	1.1
89.02327	2.6
90.45072	0.3
93.03359	4.2
94.03731	0.6
95.01320	0.6
96.95331	0.5
96.95897	2.4
96.99196	0.6
97.06511	0.6
98.20531	0.6
99.04493	0.4
101.02346	3.6
108.02046	0.4
109.02909	0.4
109.06527	1.1
111.00830	0.5
111.04427	0.6
113.02361	3.2
115.05434	0.7
117.03371	0.4
119.03436	0.9
119.04956	2.2
120.05278	0.4
123.08068	0.8
125.02419	0.4
127.07574	28.6
128.03513	0.5
128.07932	1.0
131.04967	0.4
133.01396	0.4
134.03700	0.5
135.04477	1.0
137.02359	0.9
137.06026	0.4
143.03453	0.4
143.04935	1.4
145.02908	0.6
145.10213	0.6
147.04465	0.6
147.08034	0.4
152.99602	0.4
160.60461	0.3
161.04491	0.9
161.09647	0.6
163.04056	1.5
163.11247	8.2
164.11549	0.8
165.12787	1.1
173.04512	1.4
177.01816	0.4
179.03400	0.3
179.05605	0.5
181.12305	1.1
183.13870	1.1
190.85684	0.4
191.03819	0.3
191.05557	4.8
195.06532	0.4
195.08173	0.5
196.08415	0.4
209.11839	0.4
217.92508	0.3
249.09271	2.7
250.09598	0.8
251.09908	0.6
255.06708	0.3
258.10999	0.4
271.20758	6.8
272.21060	0.6
283.09937	0.4
289.21829	6.3
290.22284	0.7
293.08377	0.8
294.08679	0.4
306.07623	0.6
307.22861	51.0
308.23212	5.3
311.09326	10.7
312.09674	5.0
313.10028	2.4
331.22888	1.2
333.20721	1.8
351.21835	100.0
351.54187	0.4
352.22180	9.8
375.21674	2.1
393.22900	2.9
453.25171	0.7
513.27155	18.5
514.27460	3.1
541.31238	0.3
555.20325	0.7
555.28320	9.2
556.28461	1.3
717.31390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.4
57.14287	0.3
57.69307	0.3
59.01268	2.7
61.98715	0.4
68.99708	0.4
69.03339	1.0
71.01273	4.2
71.62640	0.4
71.63031	0.3
72.99214	1.2
73.02822	1.5
76.62209	0.3
81.03364	0.6
83.01273	0.8
85.02840	3.3
87.00784	0.6
89.02345	1.0
93.03378	0.4
95.01300	1.7
95.01823	0.3
96.95939	1.4
97.02855	4.1
97.06516	0.4
99.00804	1.6
101.02352	1.6
104.70995	0.3
107.04958	0.5
108.02083	51.9
109.02897	12.0
109.06583	0.3
111.04443	0.4
113.02341	2.7
119.04957	0.5
119.34881	0.2
121.02843	1.3
122.03650	0.5
123.00802	1.1
123.04436	0.8
123.08105	0.4
125.02380	0.6
127.07571	1.6
133.02878	0.8
134.03676	1.1
135.04453	1.7
137.02397	0.5
143.03401	0.4
145.02948	0.4
147.04494	0.3
149.02347	0.4
151.00331	0.4
151.03964	1.6
152.01099	100.0
153.01860	6.7
161.02452	0.3
161.04506	1.7
163.03951	5.3
164.04395	0.3
166.49557	0.3
171.10214	0.3
175.03911	0.5
177.01900	1.4
179.03499	1.5
189.12775	1.9
191.05533	1.1
191.07146	1.0
192.04218	0.4
193.04976	0.4
203.14371	0.3
205.08685	2.3
207.02995	1.4
207.10306	0.5
219.02936	0.3
267.16080	0.6
269.19162	0.8
271.08353	0.7
297.02936	0.3
297.06290	0.6
311.05722	0.3
313.18213	3.0
314.18719	0.3
315.07346	2.6
329.17670	2.2
331.19113	0.4
347.18689	0.7
389.19678	0.4
404.76422	0.3
411.50409	0.3
429.10483	12.7
430.05197	0.3
430.10916	1.1
447.11530	19.7
448.11749	1.9
557.19006	0.9
635.53235	0.3
761.30450	80.3
762.30829	18.8
773.11151	0.3
792.95752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57753	0.6
59.01263	2.1
59.55065	0.6
61.98724	3.8
65.00212	0.9
69.75798	3.8
78.95840	0.5
80.96431	0.6
81.48511	0.5
83.01284	1.1
93.03358	1.7
105.03318	0.5
107.01308	3.3
109.02859	1.3
112.86024	0.6
117.03346	0.7
125.02337	0.6
132.02078	0.8
135.00766	0.9
135.04234	0.6
142.19690	0.6
143.04977	1.0
151.00305	2.7
154.04140	0.5
157.06557	0.8
159.04430	1.4
163.00293	3.0
169.01241	0.6
169.06551	1.0
175.04033	0.6
183.04471	1.2
185.02429	0.8
185.06076	1.8
187.04001	2.5
189.05554	1.5
189.12813	0.8
191.05640	1.7
195.04442	0.9
195.06630	0.7
197.06084	1.6
199.03996	1.4
209.11813	4.3
211.03925	4.0
213.05598	2.6
215.03322	0.7
223.13391	2.4
227.03503	51.2
227.12820	1.3
228.03915	3.2
229.05069	11.3
239.03564	2.2
240.04179	1.1
241.05135	2.0
253.09245	0.6
255.03038	80.3
256.03604	11.5
257.04630	7.8
267.02975	1.0
268.03561	0.9
283.02670	6.1
284.03339	85.4
285.04095	100.0
286.04468	7.7
313.18146	4.9
327.05206	1.5
331.19370	0.7
383.37906	0.6
447.09424	35.8
448.09991	3.2
557.16748	2.1
761.28326	61.3
762.28619	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.8
61.98712	2.3
62.59826	1.3
70.36298	3.1
70.36691	2.6
70.74436	1.6
71.01283	7.8
78.95796	6.6
80.96402	1.9
81.03355	1.6
83.04913	3.7
89.02331	1.6
89.45631	1.2
98.52798	1.3
152.99475	3.7
154.68076	1.5
161.04477	1.4
171.10208	4.7
179.05458	1.8
209.11832	100.0
210.12169	6.9
227.12914	21.5
235.08168	2.1
253.09401	9.2
265.24301	1.4
277.21805	61.0
277.24878	3.2
278.22086	7.0
279.23331	4.2
313.02139	1.3
445.21045	8.1
759.41119	28.4
760.41620	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	759.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	2.3
61.98696	2.7
71.01285	2.5
78.95821	4.2
80.96426	2.9
89.02355	1.2
98.20774	2.0
130.64719	1.2
143.40225	1.2
165.12941	1.4
209.11829	65.6
210.12131	3.4
211.13545	1.3
211.34927	1.2
227.12889	17.6
235.08253	8.7
253.09305	8.8
277.21796	100.0
278.22171	10.7
293.38370	1.2
416.91519	1.3
445.20731	2.5
513.30829	3.5
748.60730	1.5
759.40955	27.8
760.41132	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	759.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	90.7
58.03670	0.8
59.01266	70.3
64.08077	0.6
71.01270	12.7
71.58139	1.0
73.02836	5.6
81.03339	1.4
81.45856	0.6
83.01283	2.8
85.02847	8.4
87.00777	1.1
89.02341	1.5
95.01304	1.3
96.95940	1.0
99.00755	2.2
99.04419	88.8
100.04747	1.5
101.02343	30.8
102.02665	0.9
113.02358	6.3
119.04858	0.8
125.02372	30.6
143.03421	4.9
159.02875	1.4
161.02388	0.7
161.04503	7.7
191.05592	3.3
235.11891	31.0
236.12204	1.7
236.69966	0.6
271.02457	1.7
277.12973	15.7
278.13297	0.9
292.49487	0.6
299.01996	0.6
300.02786	2.4
301.03500	1.4
317.16092	9.0
327.05170	0.7
327.52390	0.6
379.16162	100.0
380.16534	9.3
595.13007	2.2
630.08545	0.7
759.17932	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25658	0.2
57.03334	0.6
59.01265	1.1
61.65591	0.2
61.98720	0.9
65.39330	0.3
69.03345	2.4
71.01264	1.5
71.49704	0.6
72.99199	13.2
73.02863	0.3
78.95773	0.3
80.25407	0.2
85.02853	1.1
87.70290	0.2
93.03348	0.5
99.00785	1.1
101.02345	0.5
113.02359	2.1
117.03390	1.1
119.04947	100.0
120.05275	4.0
121.02876	0.8
123.04469	0.3
132.05756	0.3
133.02916	0.4
145.02885	3.5
161.06065	0.7
162.03162	0.5
163.03958	64.2
164.04262	3.5
191.05629	0.5
195.06570	0.8
196.07004	0.3
205.05103	0.9
219.06615	0.4
232.93015	0.3
275.21292	0.2
275.23849	1.7
277.07208	0.8
307.08408	0.3
319.22928	3.2
325.09274	0.5
339.08405	0.3
369.72275	0.3
375.85403	0.3
433.53165	0.2
439.12558	11.0
440.13043	1.3
457.13623	68.2
458.13956	8.4
461.46750	0.3
504.06219	0.3
759.36151	17.6
760.36456	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	759.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57079	0.2
59.01262	1.1
61.98685	0.2
70.37573	0.2
71.01299	0.4
71.58578	0.4
78.95818	0.3
85.02842	0.6
87.00808	0.3
93.03361	14.6
94.03661	0.4
96.95917	2.4
96.99216	4.1
98.95497	0.2
101.02269	0.2
109.02849	0.3
111.81016	0.2
113.02386	0.3
115.05450	2.5
117.03371	1.1
117.07005	0.2
118.59808	0.2
119.04946	7.3
120.05260	0.4
121.02887	0.5
123.04437	0.6
130.04189	0.6
131.04950	2.2
133.02884	1.7
135.04411	0.4
136.60495	0.3
137.02364	0.6
141.23146	0.2
143.04987	6.7
145.02878	1.7
147.04468	2.7
158.03682	0.7
161.02318	0.4
163.03951	5.1
164.04330	0.4
171.04504	0.4
173.04536	0.3
179.03560	0.5
187.03946	0.3
191.05595	2.4
192.05901	0.3
195.06511	0.3
195.08125	3.1
201.68855	0.2
206.07474	0.3
207.08282	0.3
219.08162	1.9
221.09712	2.6
223.06165	1.1
223.11284	1.0
247.07817	0.4
249.09242	17.5
250.09631	1.6
258.01962	0.3
263.07382	0.3
267.10336	0.5
293.08243	5.4
294.08591	0.5
311.09317	100.0
312.09647	9.0
331.19009	0.3
349.20398	0.4
400.78613	0.2
520.53009	0.3
639.08875	0.3
715.30774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08976	0.3
56.79227	0.4
57.03320	0.9
59.01263	6.4
64.09995	0.4
65.92500	0.4
67.01759	1.0
68.99693	1.1
69.03345	0.9
70.25834	0.4
70.58785	1.2
70.59167	0.6
71.00900	0.6
71.01273	8.3
72.99210	2.7
73.02855	0.7
75.00761	9.8
81.03344	0.8
83.01275	0.7
83.63130	0.4
84.20789	0.4
85.02846	11.8
87.00780	3.4
89.02327	1.8
91.03880	0.5
93.03343	2.3
95.01283	3.0
96.95907	0.8
97.02838	0.7
97.20861	0.4
99.00776	4.9
101.02334	0.4
103.00272	1.0
109.02884	0.7
111.00805	1.0
111.04418	0.7
113.02353	11.6
115.00286	1.3
117.01839	2.3
119.04930	1.6
121.02874	52.8
122.03197	1.7
129.01860	1.3
145.02914	0.5
157.01266	0.5
159.10292	0.5
160.65649	0.4
163.03961	2.1
163.74350	0.4
173.04494	1.0
175.02463	1.4
189.04027	0.5
191.05574	4.8
192.05841	0.6
201.04131	0.6
216.11665	0.4
231.05136	3.6
239.05988	2.8
249.06195	34.4
250.06554	1.8
327.08575	0.5
337.09250	0.8
353.09152	0.5
371.09906	100.0
372.10251	8.7
782.61407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94625	0.1
55.01816	0.1
58.79927	0.1
59.01266	9.5
65.39464	0.1
67.90819	0.1
68.65717	0.1
69.64954	0.8
69.65363	0.4
71.01278	0.3
71.04910	0.3
71.90808	0.1
78.95803	0.2
85.02850	0.4
85.74844	0.1
87.00772	0.3
87.13335	0.2
89.02333	0.2
93.03381	0.6
95.01317	0.2
95.04922	0.4
96.95914	4.7
96.96862	0.2
97.02837	0.2
101.02343	0.2
113.02379	0.2
121.02850	1.0
123.04445	1.5
123.08083	3.9
123.41528	0.2
134.03717	0.2
140.67561	0.2
149.02386	4.4
150.02586	0.2
150.06778	0.3
161.02464	0.2
161.04544	0.2
161.09697	0.3
163.03949	0.6
177.01894	53.3
178.02240	2.7
189.09212	0.2
191.03511	1.4
191.05533	0.4
191.07095	3.1
192.04257	67.6
193.04590	3.6
205.08711	2.7
206.09344	0.2
207.06618	100.0
208.06950	5.7
221.08168	0.3
285.18713	0.3
329.17648	20.3
330.17969	2.1
347.18680	1.1
348.19089	0.3
714.41705	0.3
715.29749	0.2
715.41797	0.4
722.28418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50789	0.7
57.03334	1.4
58.00475	1.5
59.01265	50.2
69.03347	1.2
69.42509	0.8
71.01268	30.5
71.58709	1.4
72.99208	1.7
73.02839	27.6
75.00739	1.2
78.95795	16.2
81.03342	1.2
83.01276	7.0
85.02844	8.4
87.00774	1.8
89.02344	10.5
93.03368	1.6
95.01290	2.1
96.95901	1.7
96.96862	13.4
97.02859	13.0
99.00773	1.7
99.04439	1.1
101.01704	1.7
101.02347	26.7
102.92799	0.9
109.02868	1.6
109.98909	0.8
113.02367	11.4
119.03429	4.0
122.06038	1.4
125.02386	1.5
127.07574	22.7
128.07909	1.3
131.03430	1.8
133.02908	4.4
135.04462	4.8
137.02365	1.7
143.03406	2.2
145.02835	1.2
147.04567	1.0
149.04416	1.3
150.03159	1.3
152.07129	3.6
153.07484	0.8
161.02405	12.5
161.04503	2.6
162.03157	4.5
165.05510	2.7
173.04475	1.3
177.05534	3.7
179.03459	2.5
179.05576	1.4
179.07208	0.9
179.10712	1.2
189.12796	2.0
191.05573	5.4
191.07143	2.9
195.06567	1.6
205.08739	3.9
207.04344	1.3
207.10271	1.9
221.15454	1.5
225.11414	1.2
229.01407	0.9
233.09515	14.0
234.09819	1.0
239.11864	0.9
249.09004	1.9
269.19220	1.0
283.10599	1.0
284.11545	1.0
287.20294	0.9
299.02051	1.6
300.02692	0.9
313.18170	12.0
314.18561	1.7
315.19858	1.4
331.19244	11.8
332.19611	1.1
345.08792	0.8
349.20007	1.2
364.35104	0.8
373.19604	1.1
434.78363	0.8
448.19305	1.0
449.19305	1.2
459.31570	0.8
475.22552	1.5
489.19272	1.6
492.17694	2.0
493.18008	5.4
493.24567	14.5
494.25021	1.0
509.20670	0.9
511.25610	35.7
512.25916	5.5
524.20068	1.3
525.20007	10.2
526.20490	1.5
535.25641	43.4
536.25787	6.5
539.60632	0.8
549.71881	0.8
553.26678	100.0
554.27045	18.3
577.26672	2.4
578.27362	0.9
585.69879	1.0
595.28302	1.0
699.27759	0.9
729.28137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.44
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00204	0.4
53.28275	0.5
55.01759	0.7
56.05767	0.5
59.01270	7.9
61.98731	1.0
62.30289	0.4
64.20273	0.4
68.99699	0.5
70.76862	1.5
71.01273	74.8
72.01608	0.9
73.02834	1.8
78.95808	1.1
79.42928	0.4
81.03382	0.7
83.01293	0.8
83.04903	0.7
85.02857	1.0
87.00783	1.3
89.02356	2.1
92.63314	0.4
95.01249	0.7
95.85809	0.5
96.95884	0.5
97.02845	0.8
98.19734	0.4
99.00775	1.3
101.02333	3.7
109.06487	2.9
113.02359	1.6
119.03440	0.7
125.09621	1.2
127.11218	1.6
145.05022	1.1
152.99498	0.6
153.09201	0.6
155.10652	0.7
161.04515	2.0
163.07793	0.4
163.11243	2.3
171.10234	44.9
172.10548	2.2
173.04362	0.7
181.08650	1.1
181.12279	1.2
185.11707	0.7
199.09734	9.5
199.13187	0.6
200.10161	0.6
201.11302	6.8
207.10252	10.6
225.11340	6.3
235.08246	5.8
243.12411	1.0
253.09337	9.9
259.20642	0.7
275.20303	0.5
277.21786	100.0
278.22150	10.6
298.16104	0.5
329.01831	0.5
384.45685	0.5
417.17969	0.5
443.19037	0.8
461.20425	1.9
513.31024	0.6
695.39703	1.4
696.41168	0.6
721.41907	4.1
722.42480	1.0
733.67426	0.5
739.42548	1.4
757.43884	7.7
758.44299	2.5
769.45996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87334	0.8
59.01266	29.2
61.98724	10.1
71.01273	5.3
71.61408	0.9
71.61797	1.1
73.02859	1.4
78.95784	4.4
85.02847	2.3
87.00745	0.9
89.02340	2.7
97.02834	1.3
97.06500	1.1
99.00780	5.0
101.02354	3.8
110.55615	0.9
112.07111	1.0
113.02331	2.8
123.08067	1.0
125.09624	5.9
127.11189	4.8
132.89023	0.9
135.04454	1.0
152.99487	2.3
155.10686	2.2
163.11209	2.9
165.09160	2.6
171.10207	2.9
181.12305	6.6
191.05586	5.0
199.09735	2.7
199.13423	10.2
201.11322	72.0
202.11577	3.3
207.10287	9.1
217.14525	2.3
225.11327	21.8
226.11676	1.8
243.12436	8.0
253.09352	6.1
264.65967	1.2
277.21799	35.3
278.22052	4.4
293.21298	1.3
357.61859	1.1
437.20233	1.2
461.20294	4.0
593.87244	1.3
721.42236	3.0
739.42853	7.2
757.43958	100.0
758.44305	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00191	0.6
55.50440	0.5
58.00491	0.7
59.01272	9.6
61.98711	0.7
64.63572	0.6
71.01274	90.2
71.59239	0.6
72.01603	1.4
73.02843	2.5
78.95789	1.6
81.03343	0.8
83.01263	0.8
83.04915	1.1
85.02850	2.1
87.00809	0.7
89.02353	3.0
93.03351	0.6
93.18160	0.5
95.01267	0.8
97.02834	1.6
99.00773	1.1
101.02338	4.2
102.40966	0.6
109.06503	7.4
111.04460	0.7
112.19323	0.5
113.02396	2.9
114.71244	0.6
119.03430	0.9
125.05998	1.2
125.09641	3.5
127.11237	4.2
131.03448	0.7
135.08052	1.2
137.09657	1.1
152.99516	1.0
153.09209	1.2
155.10715	1.8
161.04488	2.2
163.11226	4.4
171.10229	100.0
172.10555	3.7
179.05598	1.3
181.08665	1.7
181.12337	2.3
185.11806	0.7
191.05565	1.1
199.09737	20.5
199.13426	2.1
200.10156	0.9
201.11316	17.6
202.11684	1.0
207.10263	23.0
208.10632	1.6
209.11845	1.3
217.14377	0.7
224.11639	0.7
225.11330	14.0
235.08212	2.1
243.12442	1.8
253.09340	12.4
256.03198	0.6
259.20828	0.7
269.04047	0.6
277.21790	72.6
278.22159	8.5
403.00772	0.6
407.19388	1.2
435.18790	4.3
441.29648	0.6
443.19321	1.2
461.20432	5.1
462.20642	0.9
479.21118	0.8
497.22726	0.7
657.08862	0.8
668.35608	0.7
695.40222	1.4
721.41669	4.5
722.42645	2.1
739.42737	1.5
757.43927	10.8
758.43884	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	757.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89195	0.6
55.11973	0.6
57.03332	1.0
59.01265	28.3
61.98716	2.3
69.03351	0.7
69.81376	2.8
71.01270	5.4
71.04905	0.6
71.80590	0.6
73.02835	1.8
78.24455	0.6
78.95799	3.6
83.01292	0.7
85.02843	1.6
87.00771	2.6
89.02340	2.4
97.02853	1.0
97.06508	0.6
99.00800	4.1
101.02344	4.8
113.02349	1.9
125.09633	3.7
127.11213	2.8
137.09610	0.7
152.99495	1.4
155.10669	1.2
161.04478	1.4
163.11206	2.9
165.09167	0.7
171.10239	1.9
181.12305	6.4
191.05566	2.1
199.09653	1.1
199.13411	7.4
201.11305	38.6
202.11673	2.3
207.10275	7.1
208.10503	0.9
217.14456	1.3
225.11330	13.4
226.11719	1.2
235.08202	4.2
236.91641	0.7
243.12326	4.0
253.09369	6.4
277.21783	80.0
278.22125	8.9
303.40906	0.6
341.75229	0.7
387.89890	0.7
419.18954	0.7
443.19086	0.8
461.20175	1.0
510.63959	0.7
721.42072	3.3
739.42963	6.1
740.43555	1.2
757.43933	100.0
758.44336	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.44
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00198	0.8
54.33950	0.7
57.03337	1.1
59.01271	7.4
61.98706	2.8
62.51649	0.6
71.01273	100.0
72.01611	1.7
73.02830	1.5
74.43620	0.7
77.66967	0.7
78.95802	19.8
83.04917	1.1
85.02865	1.4
87.00777	1.4
89.02351	2.5
96.96881	1.9
97.02859	1.5
101.02372	3.4
101.45440	0.7
106.17452	0.7
109.06487	4.5
113.02353	1.9
119.03385	0.8
121.56179	0.7
125.09666	1.7
126.86955	0.7
127.11234	2.3
152.99535	8.8
153.09189	1.1
154.06808	0.8
161.04485	1.7
163.11255	2.7
163.25444	0.7
171.10228	75.1
172.10576	2.9
176.37433	0.7
181.08749	1.1
181.12347	1.9
185.11926	1.1
191.05644	1.5
197.11847	3.0
199.09743	8.9
199.13406	1.5
201.11304	7.2
207.10263	10.8
211.13490	1.0
215.12897	0.7
225.11330	7.2
235.08276	3.7
253.09297	8.6
255.23441	0.7
277.21783	81.3
278.22174	7.9
293.21451	1.6
295.22733	0.7
309.20700	1.0
311.22415	2.7
340.65564	0.8
350.71771	0.8
435.18814	1.4
445.20242	3.7
447.21674	2.2
461.20496	2.0
463.20859	0.9
573.82361	0.9
670.60461	0.7
721.42493	1.7
739.43085	1.4
757.43512	16.9
758.44189	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	757.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00215	0.6
55.83767	0.3
56.98142	0.3
57.03318	0.4
58.00473	0.5
59.01266	5.2
61.98719	4.8
68.99710	0.9
69.53875	2.6
71.01272	94.2
71.67004	0.3
72.01609	1.3
72.99210	0.5
73.02834	1.1
78.95808	2.0
83.01273	0.6
83.04915	0.7
85.02890	1.5
85.03315	0.4
87.00777	1.4
89.02331	2.3
97.02858	0.8
97.06495	0.3
99.00783	1.1
101.02357	3.2
109.06482	1.7
110.03648	0.4
113.02365	1.9
114.61069	0.3
119.03436	0.9
125.09650	1.2
127.11230	1.4
127.44710	0.3
128.97813	0.3
133.05028	0.4
135.08078	0.5
145.04980	1.0
152.99535	1.0
153.09210	0.7
154.01762	0.4
155.10768	0.4
161.04529	1.7
163.11209	1.2
165.09177	0.3
171.10229	52.4
172.10519	2.7
179.05705	0.4
181.08629	0.7
181.12317	1.1
183.10378	0.4
189.09235	0.5
189.78104	0.3
191.05521	0.5
199.09734	6.2
199.13377	0.9
200.10094	0.4
201.11301	4.9
207.10269	8.4
208.10635	0.7
215.12975	0.3
225.11345	6.4
226.11684	0.5
233.22841	0.5
235.06015	0.6
235.08240	4.9
243.12498	0.7
253.09312	8.6
254.09785	0.5
259.20593	0.5
275.20236	0.7
277.21786	100.0
278.22134	10.1
341.89212	0.3
360.52243	0.4
435.18741	0.3
443.19504	0.7
461.20676	0.7
515.43066	0.3
532.72437	0.4
545.39191	0.4
695.39697	0.6
698.08368	0.3
721.41675	2.3
722.42413	1.1
757.43774	7.7
758.44232	1.9
778.41852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00212	0.9
55.01780	0.5
57.03318	0.5
59.01267	11.9
61.98711	3.3
66.61253	0.4
69.60249	1.0
69.60658	2.9
71.01272	99.9
72.01611	1.9
72.99143	0.6
73.00027	0.4
73.02823	2.3
78.95804	1.7
81.03357	0.7
82.32887	0.6
83.01267	0.9
83.04906	0.9
85.02839	1.7
87.00773	1.3
89.02353	4.2
97.02853	1.3
99.00780	1.4
101.02351	4.7
109.06503	8.2
110.03627	0.7
111.04359	0.5
113.02370	2.7
119.03411	1.1
121.06475	0.7
125.05980	0.5
125.09605	2.6
127.11230	3.4
133.82632	0.4
135.08095	1.2
137.09679	1.1
143.03427	1.0
151.07440	0.6
152.99539	1.6
153.09152	0.9
155.10706	1.9
160.68762	0.5
161.04462	1.7
161.09634	0.5
163.11235	4.2
165.09203	0.7
165.46339	0.5
171.10228	100.0
172.10574	4.7
175.17108	0.6
179.05583	1.5
181.08678	1.5
181.12308	2.6
185.11765	0.8
189.09230	0.7
190.66927	0.5
191.05626	1.0
199.09740	19.3
199.13390	2.3
200.10066	1.2
201.11313	17.9
201.13206	0.6
202.11658	0.9
207.10258	24.7
208.10594	1.5
215.12891	0.7
225.11336	16.2
226.11690	1.1
235.08119	2.8
243.12407	2.0
253.09315	13.6
254.09584	0.6
277.21783	78.0
278.22153	7.8
295.10800	0.5
407.18997	0.8
417.17899	0.8
435.18930	4.2
437.20242	0.5
443.19373	1.1
461.20404	5.3
479.21136	1.2
695.40430	1.5
696.41101	0.6
721.41852	4.2
722.42291	1.7
739.42603	1.6
757.44006	12.1
758.44373	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	757.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78199	0.7
54.15887	0.6
55.83880	0.6
57.57449	0.7
58.17252	0.6
59.01268	1.3
60.85301	0.7
61.98723	1.5
71.01247	1.6
71.56345	0.5
71.56797	0.9
78.91785	0.7
78.95795	56.1
93.36813	0.7
96.96865	9.0
116.92760	2.4
131.46207	0.6
150.97974	8.2
152.99527	100.0
153.99899	1.4
171.00583	2.8
179.03404	0.7
191.05592	1.3
199.28441	0.8
199.80034	0.7
267.38794	0.7
279.23364	45.8
280.23630	3.9
297.03784	1.5
353.92828	0.7
433.23685	2.9
477.10318	7.8
577.28027	8.4
578.28143	1.5
581.01514	0.8
757.34259	68.3
758.34589	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	757.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44179	7.7
61.98725	14.3
71.01256	12.0
71.50595	15.5
78.95807	33.9
80.96429	15.9
88.98716	11.4
138.44852	8.8
152.99506	17.9
167.11955	8.9
199.13232	10.1
207.10240	15.1
225.11433	43.4
228.48558	9.2
277.21783	100.0
278.22034	18.4
301.08508	8.2
440.27963	9.9
461.20404	11.9
721.41797	31.1
757.39655	86.3
758.39838	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	20.9
61.98713	21.9
63.27412	10.2
71.01285	11.6
71.59206	12.7
75.90035	10.3
78.95813	36.8
80.96368	14.2
82.51896	9.3
84.30091	9.9
88.98697	10.3
89.79503	9.9
90.62791	9.4
99.20089	9.3
113.34934	10.8
125.35155	9.8
125.97899	11.0
130.89236	10.4
146.96654	10.3
152.99512	17.4
163.11192	10.8
189.98204	9.4
194.98726	11.4
202.80710	9.9
207.10284	22.5
208.01505	11.5
209.11833	15.2
225.11372	33.9
277.21771	77.8
429.78461	11.0
461.20422	21.8
721.41913	22.5
757.39465	100.0
758.39838	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03340	3.5
58.00479	0.3
59.01267	20.3
61.98727	0.4
67.01781	0.4
68.99701	0.8
69.03331	0.9
69.76512	2.0
71.01276	20.8
72.01618	0.5
72.99205	4.6
73.02836	4.0
75.00768	20.7
78.95793	1.0
83.01270	2.3
84.02080	0.4
85.02845	21.4
86.03203	0.5
87.00775	6.8
89.02340	3.6
93.03337	1.2
95.01295	2.5
96.95906	1.3
96.96875	0.4
97.02849	2.8
98.19804	0.5
99.00785	7.4
100.01093	0.3
101.02355	5.0
103.00287	0.8
107.01294	0.4
109.02866	0.4
111.00802	0.8
113.02364	22.2
114.02663	0.6
115.00302	1.9
117.01872	1.5
119.03439	0.7
119.04923	0.4
125.02361	0.8
127.03912	0.3
129.01848	0.9
130.48856	0.3
131.03471	2.3
133.02869	0.5
134.03674	0.6
135.04482	0.3
139.00349	0.3
143.03410	0.4
145.02884	0.6
149.04526	0.3
151.00288	0.3
152.01018	0.4
155.03403	0.4
157.01355	0.8
161.02374	0.9
161.04486	0.3
163.03929	0.8
173.04486	2.9
174.04915	0.3
175.02428	2.4
175.03821	0.4
178.02663	0.3
187.03987	0.3
191.05617	3.0
191.10764	0.4
193.03514	0.6
193.05130	0.5
201.04042	0.4
211.07678	0.6
227.03445	1.4
229.05099	0.9
233.09460	1.2
235.04581	0.8
255.03085	3.4
256.03513	0.3
283.02631	0.7
283.83081	0.3
284.03357	3.3
285.04120	7.8
286.04398	0.9
315.19760	1.4
333.20792	2.9
334.20883	0.4
334.51797	0.3
447.09314	2.5
545.09998	0.4
606.24689	0.3
671.29584	0.4
672.29010	0.3
695.29236	0.7
713.30450	100.0
714.30737	21.7
714.43677	0.5
757.18158	1.0
757.32379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.2
57.03344	1.1
58.00472	2.3
59.01267	48.0
69.03334	0.7
69.31525	4.4
69.31952	2.6
71.01272	27.5
71.01672	1.4
72.01609	0.9
72.99204	2.5
73.02838	4.9
75.05395	0.6
78.95807	5.1
83.01273	2.7
85.02842	9.3
87.00777	2.5
89.02341	19.2
90.75037	0.6
91.24612	0.6
93.03355	4.0
95.01289	3.2
96.95906	1.7
96.96864	3.0
97.02856	14.8
98.19771	1.7
99.00777	1.1
101.02350	19.4
104.07800	0.7
109.02888	1.9
111.04413	1.5
113.02355	11.4
119.03426	6.9
119.04916	2.4
121.06544	0.9
122.62320	0.7
127.07578	8.3
131.03403	1.9
135.04463	1.0
143.03410	1.4
145.02876	1.1
151.11243	1.2
152.01076	0.9
153.31126	0.7
161.04492	1.2
163.03897	2.0
165.05515	2.7
173.04486	1.9
174.05019	0.7
179.05606	2.5
179.10739	0.9
181.12396	0.8
190.08644	0.6
191.05594	10.1
191.07159	1.5
192.05974	0.7
199.14900	0.7
205.08632	2.5
207.10237	1.2
219.13940	2.1
223.09717	0.7
233.09514	4.5
237.15012	1.6
243.05133	1.5
243.13777	0.9
255.03070	1.6
268.07385	1.0
270.65060	0.7
272.71750	0.8
285.04019	2.6
285.18927	1.1
303.85712	0.8
311.16617	5.9
329.17651	9.7
330.17908	1.3
330.76782	0.7
333.90570	0.7
347.18530	1.4
491.22995	6.5
509.24060	100.0
510.24387	13.6
533.23822	0.9
551.25244	6.9
552.25610	0.8
593.26166	1.1
713.30652	2.3
756.83905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.9
63.22363	0.9
63.99179	1.0
70.24160	1.0
70.46508	1.0
70.51759	3.7
71.01291	2.3
85.02856	2.6
93.03374	8.9
96.95879	1.7
102.53720	1.1
107.01333	1.5
108.02032	1.1
109.02863	1.5
117.03394	1.9
119.04915	6.1
123.04458	1.4
124.34264	1.1
132.02063	1.4
133.02878	2.9
136.01564	1.7
137.02351	2.0
145.02873	2.0
151.00282	2.4
155.03410	1.2
161.02431	3.0
162.03029	1.0
163.00362	1.3
163.03922	2.2
173.04514	4.1
177.01900	4.9
179.03427	1.5
189.01837	1.8
190.02637	1.9
191.03917	2.0
191.05591	15.4
192.52554	1.2
195.08151	1.6
197.06123	1.9
198.03226	1.5
199.04024	1.1
211.03970	3.6
211.07668	1.9
213.05537	3.4
224.04770	3.5
225.05476	2.5
226.02776	1.3
226.06299	1.9
227.03513	17.7
227.07095	2.2
228.04100	1.7
229.04979	3.4
236.99365	1.2
237.05627	1.4
239.03557	3.2
239.07231	3.1
240.04213	2.4
240.66148	1.1
241.05026	4.0
242.05898	1.2
242.36319	1.1
253.05107	21.0
254.01884	1.1
254.05595	1.7
255.03049	18.2
255.06747	2.5
256.03537	2.5
265.05127	2.6
267.02994	14.8
268.03680	2.6
269.04544	4.4
271.06219	4.2
281.04681	7.3
282.05402	5.1
283.02524	11.5
283.06113	6.7
284.03320	9.4
284.06256	1.7
285.04120	17.2
295.02371	2.5
297.04117	2.5
309.04105	2.2
310.04910	39.6
311.05673	47.8
312.06033	5.7
332.06989	3.7
333.07901	2.1
347.09302	23.0
348.09540	2.3
357.10059	1.9
361.07202	1.8
369.56952	1.1
375.08640	3.2
376.09424	1.9
389.06848	7.8
390.07217	1.7
403.08347	2.2
404.09055	13.1
405.09610	6.0
430.07083	3.8
431.07959	5.2
493.79922	1.3
593.15125	2.8
619.16809	19.0
619.26111	2.0
620.16821	3.5
713.20911	2.6
739.19000	10.6
740.19275	1.6
757.20020	100.0
758.20380	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	757.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74830	0.2
56.30836	0.3
59.01035	0.2
59.01273	2.3
60.32133	0.2
61.70480	0.3
61.98715	0.6
63.02271	0.6
63.73743	0.3
64.37675	0.2
65.00203	0.4
69.03361	0.4
71.60011	0.3
71.60485	0.4
72.99203	0.4
75.00742	0.5
78.95782	1.2
83.01271	0.6
83.04945	0.3
85.02837	1.6
87.00773	0.4
89.02338	0.7
91.01791	0.6
92.27046	0.3
92.36134	0.2
93.03359	5.2
94.03615	0.3
96.95930	2.1
96.96865	0.8
99.00802	0.6
101.02349	0.8
107.01302	2.6
107.04936	0.3
108.02068	0.6
109.02873	1.1
111.04439	0.3
113.02349	1.2
117.03349	0.7
119.01320	0.3
119.03512	0.3
119.04941	2.7
121.02894	0.6
123.04398	0.4
125.02322	0.5
131.04948	0.5
132.02109	0.5
133.02850	1.0
134.03696	1.3
135.00797	0.8
135.04463	2.0
137.02345	1.3
137.06027	0.4
139.04181	0.3
143.04933	2.1
145.02884	1.2
145.06544	0.4
147.04514	0.4
151.00331	2.5
152.01067	0.8
153.01830	0.8
154.04117	0.4
155.03444	0.5
157.06483	0.8
159.04507	1.7
160.01591	0.4
161.02394	2.0
163.00363	2.2
163.03969	1.7
164.01051	0.3
169.01392	0.7
169.06497	0.9
171.04462	1.2
173.02299	0.4
173.04504	1.8
173.05898	0.5
174.03096	0.4
175.03922	0.8
179.03462	0.6
183.04471	0.9
185.06033	2.6
187.03970	3.0
187.69884	0.3
189.05498	1.0
191.03972	0.4
191.05585	5.1
193.05086	1.7
195.04420	0.8
195.06433	0.7
197.06061	1.1
199.03973	1.0
201.05544	0.8
210.06871	2.2
211.04056	2.2
211.07645	28.1
212.07950	2.4
213.05539	2.4
215.03555	0.5
227.03511	17.3
228.03831	1.5
229.05086	10.6
229.14374	0.6
230.05391	0.4
233.09444	1.2
237.09245	0.6
239.03539	2.2
240.04187	1.1
241.05042	1.3
243.03033	0.5
255.03041	35.0
256.03564	5.4
257.04593	5.5
258.04977	0.4
261.06140	0.4
265.08661	0.7
267.03046	0.9
268.03229	0.3
283.02594	0.9
284.03336	57.3
285.04099	100.0
286.04459	8.2
293.83704	0.3
299.02197	0.5
309.07913	0.8
327.05124	0.7
327.08505	0.4
373.13049	0.4
447.09430	74.9
448.09796	9.8
448.16074	0.4
545.09454	1.6
713.18958	5.2
713.29755	0.3
714.18848	1.4
757.18243	7.2
757.31824	1.5
758.18774	1.7
787.20673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
59.01260	1.6
61.98710	0.8
69.03345	6.5
71.04917	0.6
71.57132	0.4
78.95782	1.8
86.00797	0.3
97.06474	0.9
99.04419	13.1
152.99533	0.4
165.12773	0.8
199.52545	0.3
252.31337	0.3
273.22321	0.3
275.23856	8.1
276.24396	0.6
277.21869	0.9
293.21136	0.4
295.22748	0.4
301.21799	9.0
302.22061	1.1
311.22501	0.4
319.22833	6.1
320.23111	0.8
357.27945	0.4
401.27045	100.0
402.27390	13.8
479.54565	0.3
755.44250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1643
Annotation	Monepalin B
Peak:m/z	Relative Intensity
59.01254	1.4
63.02289	0.9
65.00208	2.2
71.01270	0.8
72.31976	0.4
73.02832	0.6
75.66719	0.4
78.91753	0.4
78.95799	1.3
79.31699	0.4
83.01290	1.7
84.36189	0.4
85.02840	0.4
89.43761	0.4
93.03364	0.9
96.96866	0.6
98.19727	0.5
107.01308	5.9
108.02079	1.3
109.02862	1.6
121.02866	3.4
125.02326	0.7
133.02870	3.8
134.03651	1.3
135.00768	0.9
135.04451	15.3
136.04796	0.5
148.01616	0.9
149.02400	0.8
151.00307	20.5
152.00774	0.4
153.35847	0.4
159.04486	0.7
161.02397	9.3
161.04536	0.4
161.06007	1.0
163.00279	3.0
164.01080	1.1
169.01410	0.9
175.03995	0.6
178.02679	0.4
178.99831	10.2
179.03448	10.1
187.03992	0.5
190.99811	0.6
191.03593	0.4
191.05605	1.0
192.00566	0.9
193.01334	0.5
201.05392	0.5
203.03448	0.5
211.03998	1.2
212.79123	0.4
215.03490	0.7
216.04231	0.9
226.02757	0.9
227.03500	2.6
229.05028	0.5
233.09518	0.7
239.03535	0.5
243.03030	8.1
244.03397	0.8
245.04556	1.4
254.02190	2.5
255.03032	23.7
256.03412	1.4
271.02539	47.0
272.03046	5.3
273.03986	1.6
283.02609	2.3
290.11652	0.6
299.02026	2.3
300.02817	100.0
301.03546	68.4
302.03961	5.1
311.07935	0.4
343.04553	0.7
353.08780	2.1
354.09207	0.4
455.12057	14.8
456.12280	1.3
577.12207	1.1
595.13171	76.8
596.13562	10.0
621.10419	0.5
757.16382	40.0
758.16760	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	755.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	4.1
57.03332	4.3
58.00476	2.0
59.01267	88.6
69.03344	1.8
70.20716	1.0
71.01272	81.0
71.39516	2.5
72.01617	1.3
72.99191	5.7
73.02831	14.3
81.03352	1.4
82.13634	1.0
83.01279	12.7
85.02847	27.2
85.99998	2.7
86.71426	1.1
87.00780	10.5
89.02341	35.1
90.02700	1.7
91.53936	1.1
93.03360	7.6
95.01296	5.7
96.95901	3.5
97.02859	4.0
99.00787	10.7
101.02354	37.3
102.02681	1.6
109.02863	1.0
111.00821	3.6
111.04421	1.5
112.01561	4.5
113.02364	24.9
119.03440	1.9
119.04929	3.6
125.02371	5.6
129.01854	1.5
131.03419	6.4
134.03685	1.3
135.04463	1.8
137.02385	2.1
143.03424	4.0
145.02916	1.5
149.04501	1.7
149.05952	1.2
155.03403	2.1
159.02980	3.0
161.04495	9.0
163.03938	3.0
173.04515	3.7
175.04005	1.2
191.05588	23.2
192.05865	2.1
211.07651	1.8
237.09157	1.3
239.92178	1.2
357.22815	1.3
375.23962	5.2
398.82816	1.2
443.33746	1.3
471.25894	1.6
519.28101	17.1
520.28601	2.8
537.29309	19.6
538.29901	1.5
579.30505	3.5
633.31348	1.5
649.30853	1.5
651.32385	79.4
652.32849	12.5
669.33527	100.0
670.34003	19.2
711.34619	50.8
712.35406	10.1
755.22015	1.5
756.21576	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73112	0.2
59.01266	0.7
71.01261	0.3
78.95793	69.3
84.34124	0.1
85.02838	0.2
89.02350	0.3
93.03355	0.2
95.96067	0.3
96.96862	50.6
101.02361	0.1
179.05530	0.2
180.25063	0.1
191.05580	0.2
207.16019	0.1
223.43233	0.1
233.09492	100.0
234.09831	4.7
262.08932	0.1
400.44391	0.1
480.93167	0.1
521.20392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27327	0.2
58.48288	0.2
59.01279	1.0
59.72302	0.2
62.96291	0.2
69.80444	0.9
71.01292	0.5
78.95797	57.2
85.02868	0.2
85.24163	0.2
89.67023	0.2
90.26456	0.2
93.03366	0.4
96.96867	47.5
101.02341	0.2
103.03277	0.2
135.04497	0.2
137.02397	0.2
162.04915	0.2
173.04491	0.4
191.05597	1.2
193.04951	0.2
195.06625	0.2
207.89874	0.2
233.09503	100.0
234.09827	5.4
249.08926	0.2
316.11792	0.2
397.11630	0.3
401.55511	0.2
491.19293	0.7
503.19244	0.7
538.78699	0.2
624.15625	0.2
755.35846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65252	0.6
55.01763	1.6
57.03337	2.0
58.00475	1.2
59.01266	14.8
61.04217	0.7
67.01773	1.7
68.99708	1.1
69.03343	1.5
69.74438	4.7
71.01275	19.0
72.99202	6.6
73.02853	5.2
75.00763	12.9
81.03376	0.8
83.01286	2.6
84.19509	0.7
85.02845	15.1
87.00770	5.7
89.02333	5.5
93.03369	4.7
95.01285	2.9
96.95933	3.3
96.96816	0.8
97.02859	1.2
99.00784	9.0
101.02357	9.3
103.00266	1.3
108.02074	0.8
109.02880	0.8
111.00763	1.0
113.02357	12.9
114.02677	0.7
115.00266	1.7
117.01857	1.4
119.03403	1.0
119.04923	2.3
121.02861	0.7
125.02359	0.9
127.03946	0.7
128.03442	0.6
129.01881	1.6
131.03462	0.8
133.02864	1.1
134.03716	0.9
135.04445	1.0
137.02336	0.8
147.04486	0.7
161.02371	1.3
161.04547	1.0
163.03925	2.0
173.04539	3.9
174.04698	0.7
175.02464	0.7
179.03522	1.1
182.75749	0.7
191.05582	12.4
192.06018	0.7
193.27234	0.7
195.06731	0.8
200.79597	0.7
211.07759	1.0
211.13394	0.9
245.07248	0.7
249.06213	5.7
255.03154	1.2
267.07251	1.0
285.04077	2.2
360.13739	0.8
373.18719	6.7
374.19333	0.9
461.99634	0.7
501.14664	0.9
505.23035	13.1
506.23422	1.2
711.29059	1.0
755.30029	100.0
756.30371	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	755.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.3
59.01271	16.2
59.53796	1.1
61.98706	1.7
63.92072	0.9
68.99734	1.0
69.03346	5.5
70.65061	1.0
71.01279	7.6
78.95790	2.4
79.67288	1.0
83.04914	2.4
85.02833	2.9
87.00768	1.2
88.98687	2.3
89.02335	1.5
93.03355	6.0
95.01264	1.9
95.04930	3.1
96.95895	2.9
97.02863	19.8
98.03168	1.4
99.00753	1.7
99.04471	1.6
101.02362	1.4
105.03367	12.9
111.04429	1.7
113.02348	2.7
120.98122	1.1
123.04445	2.6
125.02368	100.0
125.09635	1.4
126.02684	1.9
133.02882	86.8
134.03273	3.8
135.04460	11.7
145.02991	1.6
146.67447	1.0
149.02397	1.1
151.00298	1.4
161.02380	9.4
163.11282	2.0
164.97072	1.2
167.08582	3.6
171.10226	4.8
173.02373	3.3
173.04510	11.8
177.01892	30.1
178.02162	1.6
179.03456	8.9
181.12277	1.3
187.03966	2.3
191.05569	5.5
197.11812	3.4
199.13330	1.4
201.01834	2.2
201.11244	2.8
204.99030	1.3
207.10234	3.5
209.11847	8.5
213.12976	1.0
215.03485	3.8
216.99112	4.6
225.11263	7.1
227.12883	1.9
253.09380	3.6
285.03979	2.7
291.19711	7.4
293.21368	4.4
309.22415	25.9
310.22638	2.0
320.23190	1.5
323.22324	4.7
335.07764	7.5
337.21811	3.3
355.05524	1.3
363.19885	3.1
363.53149	1.2
381.20789	94.4
382.21234	10.1
386.95947	1.2
404.18570	1.2
443.67783	1.1
458.93536	1.1
489.10645	3.1
489.22934	13.1
490.23203	4.4
507.23764	1.2
551.06213	8.4
552.06744	1.3
555.25977	2.5
567.26581	1.4
649.30798	5.4
650.29761	1.2
693.29437	7.5
755.24432	6.4
755.42609	7.5
756.25690	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	755.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.6
58.00468	0.5
59.01264	23.1
60.99184	1.4
67.01778	3.5
67.25069	0.4
69.03332	1.0
70.35757	0.7
70.36152	0.5
71.01271	7.9
72.99178	0.5
81.03359	0.5
83.01279	0.8
83.04915	0.5
85.02832	4.8
87.00769	5.4
89.01815	0.6
89.02331	4.7
93.03359	24.3
94.03684	0.9
95.01268	0.6
99.00820	0.7
99.04427	0.4
101.02353	5.0
107.32597	0.3
109.02850	0.8
111.04422	3.5
113.02349	2.6
117.03383	0.4
119.03424	2.3
119.04919	0.5
127.03941	1.3
129.01866	0.9
130.89671	0.3
134.03668	7.6
135.04007	0.4
140.16669	0.3
145.02882	0.7
149.05995	0.9
155.03400	0.3
163.03943	0.5
163.11214	2.6
171.02843	0.4
173.04514	9.0
175.03987	0.7
191.05577	100.0
192.05931	4.5
193.05022	4.6
207.10245	5.4
208.10687	0.8
309.41794	0.3
365.08661	0.7
366.09131	0.4
367.10394	34.3
368.10873	2.8
387.16684	87.0
388.16989	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	755.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
57.03325	3.4
58.00468	0.8
59.01267	28.9
62.73037	0.7
67.01772	1.0
68.99704	1.3
69.03342	3.4
69.28812	1.9
69.29229	6.2
71.01271	27.0
72.99197	12.6
73.02832	5.3
73.99509	0.7
75.00764	14.5
78.95811	1.0
79.95632	0.8
80.96400	0.8
81.03349	2.6
83.01270	3.1
83.04897	0.9
85.02844	27.8
87.00774	6.8
87.04400	3.0
87.82535	0.7
89.02351	6.9
93.03343	1.1
95.01306	4.9
95.01814	0.7
96.95914	13.0
97.02848	35.3
97.06487	0.9
98.03198	1.1
98.20501	1.5
99.00792	8.8
99.04427	1.6
101.02348	6.3
103.00269	5.2
103.03883	0.9
109.02857	2.2
111.00806	2.6
111.04462	0.8
113.02355	30.9
114.02693	1.0
114.90310	0.7
115.00288	0.8
115.03949	1.0
117.01835	2.4
122.03653	1.7
123.04485	0.9
125.02374	2.7
127.03928	1.7
127.07565	10.9
129.01872	2.5
131.03401	3.6
133.01334	1.6
135.04478	0.8
139.00267	1.2
143.03426	3.1
157.01389	1.7
161.02338	1.4
161.09622	1.4
163.02443	0.7
163.07629	0.7
165.05513	1.5
165.09087	1.4
173.04517	1.5
175.02463	6.7
181.12291	0.9
187.11267	1.3
189.12828	15.9
191.05533	3.5
191.07132	4.6
193.03520	22.1
201.00320	0.7
203.14423	3.0
205.08693	13.1
205.10454	1.3
206.08958	1.0
207.10257	3.7
217.03477	1.4
221.15529	1.3
235.04602	14.6
251.18109	0.8
269.19138	8.2
270.19351	0.9
283.17130	6.0
287.20239	2.0
295.17264	1.1
313.18164	51.4
314.18549	5.2
331.19229	100.0
332.19516	13.0
379.08936	22.3
397.09964	38.7
397.20596	2.2
397.70691	2.6
398.10165	3.6
439.32080	1.1
487.34531	2.0
609.78815	1.1
669.28479	1.1
675.31097	1.1
682.31903	5.4
682.81531	23.5
683.31885	10.2
683.81836	2.3
689.31281	1.1
690.31403	1.8
693.28516	1.0
711.28864	70.9
712.29120	16.5
755.33807	7.6
755.84137	4.4
756.33948	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	753.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46055	0.7
55.01770	1.8
57.03335	2.3
57.60273	0.6
58.00482	2.8
59.01265	100.0
60.01611	0.8
67.01784	0.8
69.03342	1.9
71.01271	74.0
71.06946	1.1
71.07292	1.0
72.01612	1.4
72.99205	4.0
73.02838	23.9
73.03252	1.3
75.00790	0.7
83.01268	9.8
85.02840	19.5
86.00021	0.8
87.00782	6.4
89.02336	41.3
90.02709	0.9
93.03371	2.8
95.01268	5.1
96.95961	0.8
97.02863	1.9
99.00788	3.6
101.02350	35.1
102.02672	1.0
111.00818	1.6
112.01552	1.1
113.02361	30.1
119.03423	12.4
119.04891	1.6
125.02377	2.8
131.03445	6.3
143.03436	3.9
149.04510	2.9
150.19724	0.6
151.56955	0.7
161.04475	3.7
163.03995	2.2
173.04515	1.9
179.05592	5.0
191.05583	11.8
244.98576	0.8
262.03302	0.7
283.02475	0.8
337.09549	0.9
343.23972	0.7
355.21094	0.9
357.09897	0.7
481.24579	1.9
487.25647	9.3
488.26852	0.9
505.26846	1.0
517.26636	7.9
518.26831	1.0
529.26520	0.8
535.27795	8.5
577.28577	3.9
649.30896	65.8
650.31171	8.8
667.31989	55.8
668.32202	6.8
709.33051	32.6
710.33521	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	753.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.3
57.03337	2.2
58.00486	3.3
58.68078	0.6
59.01268	85.3
60.01609	0.7
64.22915	0.5
67.01767	0.8
69.03349	1.6
70.14697	0.5
71.01275	74.0
71.59735	0.8
72.01608	1.5
72.99196	6.0
73.02840	29.8
75.00772	1.4
79.56861	0.5
81.03347	0.9
83.01286	10.5
84.02062	1.0
85.02847	21.2
87.00784	8.5
89.02344	36.3
93.03361	3.2
95.01284	6.4
96.95929	1.7
97.02890	2.6
98.59081	0.5
99.00796	7.3
101.02354	40.2
102.02698	0.9
109.02865	0.5
111.00806	1.2
111.04442	1.2
112.01550	0.6
113.02364	43.4
114.02706	0.9
115.03920	1.3
119.03418	12.8
119.04877	0.9
123.04443	1.2
125.02370	4.4
127.03858	0.6
129.01854	0.7
130.04146	0.5
131.03426	4.1
135.04393	0.6
137.02423	0.6
143.03448	4.9
149.04475	2.7
155.03445	1.1
159.02960	0.7
161.04507	13.1
163.03932	0.8
173.04520	2.0
177.01981	1.2
177.57710	0.5
179.05600	5.0
191.05605	6.7
195.06558	0.8
205.35632	0.6
233.06746	0.9
327.08826	1.9
355.21283	2.0
363.16840	0.8
397.11447	2.0
425.11334	0.6
487.25598	30.1
488.25851	3.2
517.26520	1.7
529.26654	4.8
535.27618	3.1
631.29791	0.6
649.30969	100.0
650.31305	20.1
650.40082	0.4
667.32031	42.4
668.32227	7.7
684.72150	0.6
709.33081	42.6
710.33368	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	753.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.4
58.00467	0.3
59.01265	14.4
59.08931	0.3
62.96334	0.4
69.49136	2.1
69.49554	0.6
71.01273	6.1
72.99194	0.4
73.02840	7.3
78.95796	66.7
83.01301	1.8
85.02849	1.1
87.00734	0.4
89.02345	1.7
96.96867	51.4
101.02345	6.4
113.02374	3.8
119.03426	1.1
125.02298	0.3
128.81839	0.3
131.03406	0.8
143.03435	0.9
145.02959	0.3
149.04543	1.6
149.05556	0.3
155.03427	0.4
161.04510	3.7
175.03976	0.3
191.05522	1.0
203.05629	0.4
206.62543	0.3
213.36348	0.3
221.06715	1.7
233.09503	100.0
234.09840	5.2
244.32681	0.4
249.08994	1.3
250.74226	0.3
319.76843	0.3
325.81744	0.3
415.23489	0.7
475.25562	1.2
505.22952	1.0
570.63617	0.3
722.51074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.6
59.63070	0.1
62.96307	0.2
71.01276	0.4
71.59042	0.2
71.59422	0.2
73.02839	0.2
75.03241	0.1
78.95792	73.6
80.96225	0.3
85.02856	0.1
85.22092	0.2
89.02328	0.4
95.96111	0.2
96.96863	56.2
98.97292	0.3
101.02390	0.2
103.60193	0.2
113.02365	0.3
133.02925	0.2
135.04420	0.4
155.43629	0.2
161.02417	0.2
176.04294	0.2
179.05566	0.2
191.05600	0.6
195.06607	0.2
199.85742	0.2
205.37021	0.2
233.09494	100.0
234.09828	7.0
234.12228	0.3
235.10097	0.8
339.12155	0.2
375.30893	0.1
415.23352	0.3
494.23126	0.2
508.97604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03340	2.1
57.19021	0.4
57.88585	0.3
58.00482	0.8
59.01266	14.9
63.99225	0.3
67.01765	0.9
68.99692	1.3
69.03329	1.1
71.01272	18.8
71.59551	0.5
72.01596	0.5
72.99201	6.3
73.02827	1.6
75.00764	14.6
75.28858	0.3
76.01102	0.4
78.93526	0.3
78.95800	0.5
81.03370	0.5
83.01282	1.5
83.04905	0.6
85.02844	20.1
86.03126	0.3
86.61405	0.3
87.00773	7.9
89.02343	4.4
91.03919	0.6
93.03338	1.4
95.01281	4.3
95.04939	0.4
96.95914	1.6
97.02841	0.4
97.06491	1.5
99.00780	9.9
99.04404	0.4
101.02339	1.0
103.00285	2.0
107.04924	0.8
109.02863	0.4
111.00793	1.0
111.04443	0.6
111.08102	0.4
112.01575	0.3
113.02358	20.3
115.00280	2.6
117.01866	2.1
119.04942	0.8
120.05713	0.6
121.06461	0.4
123.08061	1.0
129.01886	1.8
130.99782	0.4
131.03369	0.7
134.03648	0.5
135.04434	0.9
137.02359	0.6
139.00302	0.7
149.04507	0.4
157.01341	0.9
161.02364	0.7
163.03917	0.4
168.68227	0.3
173.04501	1.2
173.13248	0.9
175.02417	1.9
175.03716	0.3
177.01936	0.3
189.03992	0.5
191.05612	3.8
191.14394	9.2
192.14717	0.9
193.05031	0.4
195.04979	0.3
195.06589	0.4
205.07121	1.2
207.05078	0.7
209.15462	32.2
210.15771	2.3
217.12373	1.9
231.05099	1.1
233.09492	0.6
235.13380	3.6
236.13741	0.6
243.12416	0.5
249.06169	7.1
253.14462	4.4
267.07294	12.1
268.07523	0.7
268.81552	0.3
327.18329	0.8
433.99310	0.3
439.45819	0.4
441.21326	2.8
442.21057	0.4
485.20496	0.5
503.21432	1.2
510.30984	0.3
577.25104	4.9
578.25409	1.0
691.28558	0.9
735.26965	1.7
753.28394	100.0
754.28754	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59399	0.1
59.01254	0.3
61.98716	0.8
71.01284	0.1
71.57185	0.1
74.75478	0.1
78.95791	3.2
79.95625	3.0
85.02841	0.1
87.00792	0.1
93.03344	0.2
95.97527	0.1
96.95913	100.0
96.96793	4.1
97.02834	0.1
97.95839	0.3
98.02376	0.1
114.48055	0.1
133.02872	0.1
135.04437	0.1
137.02319	0.2
137.54340	0.1
151.07629	0.2
158.88460	0.1
161.02457	0.2
169.89290	0.1
171.10152	0.1
179.03529	0.1
191.05557	0.5
192.05957	0.1
195.06616	0.6
196.06949	0.3
197.07076	0.2
207.10255	0.1
209.11801	0.3
271.73898	0.1
353.08859	0.1
358.12265	0.1
460.16449	0.1
536.25867	0.1
630.66003	0.1
657.14661	0.1
690.31720	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	752.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.6
58.80882	0.3
59.01257	1.0
59.47911	0.2
61.98716	30.4
65.00221	0.5
71.01266	1.2
81.03341	3.4
83.01282	1.1
85.02819	0.3
85.06463	0.4
87.04396	0.3
88.98637	0.3
93.03367	0.7
95.04902	0.4
96.95899	1.5
97.02844	0.6
97.72406	0.3
101.02335	0.6
103.03881	0.3
107.01324	0.5
107.04947	0.4
109.06495	1.7
111.04421	3.2
113.02319	0.3
119.04907	0.5
121.02865	0.5
122.03642	1.2
123.04453	0.5
123.08082	0.4
125.01452	0.4
125.02368	6.9
126.02734	0.3
127.07591	0.4
131.01283	0.4
133.02942	0.6
135.04485	1.4
137.02435	0.3
139.03929	0.5
149.02357	1.2
151.00313	0.6
151.07585	36.1
152.01141	0.6
152.07950	1.8
153.05534	0.4
161.02380	2.1
162.02760	0.4
163.03926	0.8
165.05487	0.9
167.03403	0.4
173.04556	0.6
175.00316	0.8
177.05542	0.4
179.03465	1.2
179.07176	0.6
191.05562	2.0
191.07137	1.6
193.04996	0.6
194.05830	0.7
195.06602	100.0
196.06946	5.5
201.05554	0.4
205.08733	0.6
207.06656	0.8
208.07387	0.7
209.08194	2.3
219.06624	24.6
220.06947	1.3
221.08197	0.4
234.05470	0.3
237.05293	0.4
237.07718	8.4
238.08250	0.4
249.07689	1.7
261.07733	0.4
293.20959	0.3
295.22934	2.1
299.02145	0.5
331.19211	4.2
335.58405	0.3
340.20798	0.3
354.09344	0.5
357.11987	24.4
358.12442	2.0
397.13348	0.6
415.14639	0.5
467.19415	0.4
689.31915	37.2
690.32233	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	752.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83556	0.2
57.03330	0.5
59.01277	0.7
61.98715	99.4
62.98419	0.3
65.00224	0.6
71.01286	0.2
77.61207	0.2
81.03352	2.6
83.01304	0.7
85.02808	0.3
85.06522	0.2
87.04416	0.4
96.95929	0.9
97.02849	0.2
101.02364	0.2
109.06480	1.4
109.27263	0.2
111.04423	2.3
114.96353	0.2
122.03681	0.9
125.02367	5.0
125.78638	0.2
133.02934	0.3
135.04485	0.5
149.02377	0.6
151.00310	0.6
151.07590	22.6
152.07890	1.2
153.05528	0.2
157.71750	0.2
161.02364	0.6
162.02933	0.2
177.01840	0.2
177.05548	0.6
179.03403	0.2
191.05600	0.3
191.07103	1.7
195.06599	100.0
196.06935	5.5
196.08705	0.3
205.08632	1.1
219.06577	0.7
221.08171	0.2
237.07686	0.7
260.05630	0.2
272.40503	0.2
331.19214	21.9
332.19565	2.6
357.11963	19.2
358.12372	1.4
471.15121	0.2
563.34442	0.4
689.31927	8.8
690.32361	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	752.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83425	0.2
57.03335	0.6
59.01262	0.5
61.98717	33.8
65.00212	0.4
67.01785	0.2
69.03357	0.4
71.01265	0.5
71.51248	0.3
81.03349	3.4
83.01295	0.5
85.06500	0.5
87.04424	0.4
92.67245	0.2
93.03370	0.4
95.04908	0.4
96.95888	0.2
97.02870	0.5
107.01309	0.5
109.02914	0.3
109.06512	2.2
111.04429	3.5
113.05991	0.3
121.02897	0.5
122.03646	1.3
123.04445	0.5
123.08115	0.3
125.02374	6.2
127.07581	0.4
133.02884	0.2
135.04442	0.5
139.03955	0.5
144.85793	0.2
149.02411	1.4
151.00349	0.8
151.07590	36.0
152.01050	0.8
152.07942	1.7
153.05417	0.2
161.02383	0.4
161.06070	0.2
163.07593	0.5
165.05513	0.5
165.09065	0.3
166.02699	0.3
167.03450	0.4
175.00299	0.5
177.05545	0.5
179.03461	0.3
179.07104	0.8
191.05569	0.3
191.07104	1.7
193.05031	0.7
193.08696	0.3
194.05782	0.5
195.06607	100.0
196.06938	4.9
201.05640	0.6
205.08627	0.5
207.06628	0.7
208.07452	0.5
209.08154	2.8
219.06622	24.2
219.91803	0.2
220.07024	1.3
221.08202	0.5
223.05922	0.2
234.05429	0.2
235.06113	0.4
237.07709	9.5
238.08031	0.5
249.07678	1.7
261.07712	0.4
297.09692	0.2
331.19241	2.4
332.19849	0.2
337.50900	0.2
339.10822	0.4
353.09079	0.2
357.11984	19.9
358.12415	1.8
467.19559	0.4
542.39227	0.2
689.31927	39.8
690.32288	8.4
690.44537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.3
69.03342	6.8
70.03665	0.2
71.01237	0.2
71.04911	0.7
71.57607	0.2
71.57983	0.1
74.24737	0.1
75.00770	0.4
85.02866	0.1
86.55309	0.1
89.02366	0.2
90.40037	0.1
93.03439	0.1
99.04424	2.2
109.06484	0.2
118.70820	0.1
125.09653	0.1
165.12813	0.5
167.10754	0.2
191.05586	0.5
207.10294	0.6
209.11853	0.1
225.11377	0.3
275.23874	1.6
277.21826	0.2
289.18262	0.1
301.21765	0.3
319.22842	100.0
320.23184	11.3
387.09427	0.1
421.39993	0.1
431.24445	0.3
453.28250	0.1
720.90399	0.1
751.39667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98861	0.3
57.03339	0.3
59.01267	1.7
61.98719	100.0
62.88316	0.3
62.98437	0.4
65.00227	0.3
65.78756	0.3
70.75333	0.5
70.75683	0.8
71.01276	0.7
81.03341	2.6
83.04941	0.3
85.06495	0.3
87.04460	0.4
89.02322	0.5
96.95926	3.9
101.02306	0.5
101.03423	0.3
107.01295	0.5
109.06490	1.6
111.04440	2.2
116.41202	0.4
122.03644	0.5
125.02390	4.0
134.03589	0.4
139.98137	0.3
149.02434	0.4
151.00340	0.6
151.07596	20.8
152.07941	1.0
161.02403	0.4
177.05524	0.5
191.05556	0.8
191.07137	0.7
191.50334	0.3
195.06609	90.4
196.06940	5.0
205.08789	0.6
207.10181	0.9
209.11885	1.7
209.47128	0.3
219.06566	0.5
237.07835	0.5
247.01799	0.4
253.09317	0.5
265.78207	0.3
289.17984	0.5
301.97440	0.3
331.19241	12.0
332.19586	1.3
333.79578	0.3
336.01801	0.3
357.11966	13.4
358.12317	1.3
363.80255	0.3
689.31903	10.7
690.32446	2.6
748.42151	0.4
753.40405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.4
57.03332	0.6
59.01265	100.0
60.01613	1.0
61.57162	0.2
71.01270	6.4
71.59336	0.3
73.02830	2.2
78.95797	0.5
79.95655	0.4
83.01297	0.7
85.02844	3.2
87.00797	0.4
89.02365	1.2
93.03390	0.4
95.01294	0.5
96.95914	21.7
99.00795	0.9
101.02345	4.9
113.02357	2.7
119.03430	0.4
122.06048	0.3
129.01788	0.2
133.02928	0.4
135.04451	0.5
150.03191	0.5
159.02994	0.4
161.02403	0.9
161.04489	2.8
165.05513	1.1
173.04498	0.5
179.03514	0.6
191.05589	2.3
209.08218	0.4
213.07718	0.3
271.02588	0.7
289.12000	1.9
299.01923	1.6
300.02649	0.5
331.17722	5.1
331.20758	0.2
332.29373	0.3
333.11151	1.6
333.19308	1.0
353.08978	0.3
373.18762	6.4
374.19266	0.9
423.16708	0.4
613.25421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01281	0.3
61.98704	0.2
69.60183	0.5
69.60621	0.6
71.01263	0.3
81.95078	0.1
83.01237	0.2
83.04904	0.2
85.02872	0.2
87.00768	0.2
93.03351	0.2
99.04420	4.5
100.04764	0.2
109.06519	0.2
111.04426	0.6
119.04952	0.2
123.68389	0.1
171.10255	0.2
187.14975	0.2
191.05556	0.9
195.06583	0.5
203.14337	0.3
209.11794	0.5
252.07307	0.1
257.19101	0.4
259.20813	0.2
264.44724	0.1
273.22302	8.8
274.22641	0.8
275.23779	0.9
285.18561	0.5
301.21808	5.7
302.22189	0.5
305.17764	0.2
319.22852	100.0
320.23184	10.1
320.27106	0.3
331.19391	0.2
431.24753	0.9
467.45645	0.2
751.39447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21062	0.1
59.01269	1.2
61.98733	0.2
69.03353	0.1
71.01264	1.2
71.59442	0.1
72.99202	3.5
73.02841	0.2
73.99515	0.2
75.00765	100.0
76.01098	1.1
85.02849	0.3
87.00777	0.3
89.02348	0.9
95.01350	0.1
96.52852	0.1
97.02857	0.1
99.00789	0.1
101.02338	0.9
110.56374	0.1
113.02380	0.6
119.03441	0.4
125.02380	0.4
143.03474	0.1
147.04240	0.1
151.45273	0.1
159.97668	0.1
161.04512	0.4
179.05592	0.3
181.58174	0.1
209.11903	0.1
221.06702	0.1
222.99643	0.1
235.08238	0.6
253.09378	0.1
269.71594	0.1
277.21783	2.9
278.22198	0.3
287.07761	0.2
293.21283	0.2
305.08716	0.2
324.38458	0.1
397.13617	5.5
398.14139	0.5
415.14630	2.1
436.93021	0.1
438.11447	0.1
675.35938	0.2
676.36725	0.1
705.83069	0.1
716.20190	0.1
751.39526	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	751.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.8
58.99481	0.8
59.00993	0.9
59.01267	14.6
67.01765	0.9
68.93977	0.6
68.99723	1.1
69.03344	1.2
69.55540	2.3
69.55962	2.8
71.01276	25.9
72.99202	4.1
73.02846	1.1
75.00768	15.0
78.95796	4.9
80.02576	4.7
81.03368	0.7
83.01276	1.5
83.04939	1.1
84.02046	0.7
85.02848	25.4
86.03201	0.8
87.00774	11.0
89.02345	5.9
91.03931	0.9
93.03362	4.7
95.01292	5.2
95.04883	0.7
96.95926	1.7
96.96891	4.0
99.00790	9.3
99.04413	3.5
101.02361	1.2
102.98506	3.9
103.00284	2.2
105.03387	1.3
106.36971	0.6
110.42700	0.6
111.00800	1.0
111.04432	2.0
112.01543	0.8
113.02360	31.7
114.02696	1.2
115.00270	1.5
117.01824	2.2
119.04927	1.7
120.99598	0.8
121.06433	1.0
129.01866	1.8
133.02882	12.1
134.03688	1.9
135.04471	6.3
137.02345	1.7
145.02911	0.8
149.09445	0.7
151.02173	1.2
155.03430	1.1
157.01364	1.1
161.02342	1.3
163.00716	0.7
163.03973	0.9
173.04527	5.4
175.02432	1.1
177.00410	1.0
177.01901	8.3
178.02692	4.2
179.03430	3.9
189.12814	18.0
191.05582	9.7
191.07149	1.2
192.05946	1.0
193.05043	3.0
195.01205	1.4
205.07143	1.7
207.05011	1.2
207.13878	7.0
208.14236	1.1
225.05968	1.5
231.05077	0.7
233.09489	6.7
233.11856	2.0
249.06212	5.8
251.12944	3.3
267.07266	28.6
268.07513	1.1
311.24545	0.7
343.23804	0.7
350.54855	0.6
351.07303	5.5
352.07965	1.3
369.09927	7.8
370.10257	0.9
439.19644	4.2
440.19690	1.5
483.19495	1.5
543.14990	1.2
575.23462	3.5
689.26935	0.8
707.16595	2.4
733.26379	1.0
751.26886	100.0
752.27271	20.0
752.41077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
57.03339	4.0
58.00477	1.0
59.01267	17.3
63.41958	0.3
67.01767	1.4
68.99694	1.3
69.03323	1.2
69.51566	3.1
71.01273	26.5
72.01595	0.4
72.98831	0.5
72.99203	5.8
73.02856	1.9
75.00765	17.0
76.62600	0.3
80.02573	5.3
81.03355	0.7
83.01266	1.4
83.04897	0.6
84.02036	0.3
85.02846	28.4
86.03188	0.8
87.00771	10.3
89.02343	5.6
91.03910	0.8
93.03362	3.3
95.01296	5.8
95.04915	0.6
96.95936	2.0
97.02883	0.4
99.00786	10.6
99.04423	3.9
100.01097	0.4
101.02340	1.0
102.98482	0.8
103.00285	2.7
105.15511	0.3
107.04917	0.4
107.08595	0.4
109.02880	0.7
111.00775	1.1
111.04423	1.2
112.01584	0.7
113.02362	32.9
114.02703	0.8
115.00288	2.9
115.03876	0.5
117.01841	2.6
119.04913	0.5
119.57783	0.3
121.06495	0.7
127.03904	0.6
129.01851	2.1
131.03429	1.0
132.02092	0.5
133.02866	0.9
135.04431	1.2
137.02351	0.5
139.00279	0.5
145.02859	0.4
149.04466	0.3
157.01402	1.0
160.01628	1.1
161.02370	0.4
163.03938	0.9
165.05531	0.3
171.11717	0.5
173.04510	1.8
175.02434	2.1
177.01886	0.4
179.03448	0.7
189.04063	0.5
189.12843	17.5
190.13109	1.1
191.03983	0.5
191.05609	8.2
192.05910	0.4
193.03467	0.4
203.89619	0.3
205.07053	1.7
207.05072	1.3
207.13907	8.6
208.14261	0.4
209.08084	0.6
211.07602	0.3
215.05510	0.4
231.05147	1.2
233.09689	0.6
233.11874	3.5
249.06181	9.3
250.06546	0.4
251.12943	4.4
255.23360	0.3
267.07278	25.6
268.07556	1.0
283.59000	0.4
310.29492	0.4
351.07205	2.2
369.09821	0.4
439.19861	4.8
474.74170	0.3
483.18771	1.2
501.19788	1.1
543.15381	1.2
575.23730	4.2
689.26404	1.2
707.16095	0.5
733.25671	2.2
751.26837	100.0
752.27167	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.2
61.98719	1.1
70.40330	0.3
71.01267	2.5
72.99201	0.3
73.02832	1.0
75.00768	0.3
77.00776	0.3
78.95794	1.1
85.02097	0.3
85.02840	1.3
87.00777	0.3
89.02329	2.6
89.03854	0.5
93.03383	0.5
93.24390	0.3
95.01291	0.4
95.31614	0.3
96.95931	0.7
97.02852	0.4
98.19769	0.7
99.00787	1.1
101.02368	0.9
107.04946	1.0
109.02855	0.4
113.02364	1.0
117.03381	1.6
121.02874	0.5
123.04454	0.3
125.02377	1.1
132.02101	2.2
133.02884	35.6
134.03749	3.5
135.04449	52.9
136.04770	2.7
137.02406	0.5
149.05972	0.6
161.02388	100.0
162.02733	5.1
173.04506	0.4
175.04019	0.8
179.03459	30.6
180.03807	1.4
191.05621	1.1
229.41225	0.4
233.06653	0.7
265.18054	0.3
299.02090	1.2
331.19302	1.0
353.09000	0.3
394.33817	0.4
417.92664	0.4
555.69684	0.4
571.18347	1.4
589.19385	47.4
590.19788	8.1
615.18018	0.5
638.90796	0.4
684.32294	0.5
684.81958	1.0
750.85382	0.7
751.22516	32.7
752.22955	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	750.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.0
59.01270	3.0
61.98721	93.9
69.38551	0.6
71.01271	2.7
72.99188	0.6
81.03363	3.0
83.01310	1.1
85.02846	0.7
88.98705	0.9
89.02303	1.4
96.95910	3.0
98.20541	1.5
101.02331	1.2
105.01846	0.9
109.06495	1.6
111.04427	2.8
113.02348	1.9
122.03721	1.2
124.01601	0.8
125.02382	6.6
135.04486	1.0
149.02322	0.8
151.07597	24.8
152.07932	1.6
163.03999	0.9
179.05687	0.8
191.05531	2.8
191.07156	0.7
193.05096	0.6
195.06613	100.0
196.06979	5.7
205.08673	1.6
221.08281	0.8
293.21274	9.7
311.16550	0.6
329.17657	13.6
330.17993	1.6
331.19290	1.0
357.07498	0.8
357.12039	12.6
393.05200	0.7
397.13474	3.1
415.14786	3.4
508.99924	0.6
687.30585	8.3
688.30597	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	750.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.6
59.01265	0.4
61.98718	100.0
62.98420	0.3
65.00233	0.4
67.01770	0.2
71.01254	0.2
71.56801	0.3
71.57463	0.1
81.03345	3.0
83.01277	0.5
85.06496	0.3
87.04440	0.3
93.03337	0.3
96.95923	0.1
97.02888	0.1
107.01299	0.4
108.02091	0.1
109.06505	1.8
111.04423	2.5
121.02873	0.2
122.03645	1.0
123.04408	0.2
123.08050	0.2
125.02375	5.9
126.66981	0.1
133.02872	0.3
134.03706	0.2
135.04416	0.3
137.02374	0.2
149.02379	0.6
151.00369	0.8
151.07588	22.5
152.07935	1.1
153.05434	0.2
161.02361	0.6
163.03970	0.2
167.03461	0.2
173.04475	0.7
177.05511	0.7
179.03511	0.3
191.03752	0.2
191.05606	0.7
191.07027	0.2
192.05898	0.1
193.05046	0.2
195.06612	90.5
196.06950	4.9
209.11810	0.2
219.06653	0.9
237.07718	0.5
287.20007	0.2
331.19324	0.4
339.10931	0.4
347.18661	0.5
353.08896	0.2
354.09329	0.2
357.11990	0.4
413.23267	0.2
414.23795	0.3
588.29352	0.3
687.30359	23.0
688.30750	4.9
750.42706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59693	0.2
57.92498	0.2
59.01262	4.1
60.01604	0.4
60.99223	0.2
61.01686	0.2
61.98717	100.0
71.01268	1.1
71.59737	0.2
71.60091	0.2
73.30080	0.1
73.83861	0.2
82.07690	0.2
85.02854	0.3
88.98700	0.2
89.02349	0.8
96.95923	0.8
101.02393	0.4
113.02364	0.4
134.03706	0.2
135.04469	0.3
140.44569	0.2
141.01538	0.2
161.02435	0.3
165.72801	0.2
179.03574	0.2
181.05128	0.5
182.05382	0.3
185.11603	0.2
189.12810	0.2
190.13087	0.2
191.05627	0.5
195.06647	0.2
196.07469	0.2
197.07851	0.3
204.06728	0.2
205.08763	0.3
209.11871	0.5
211.09839	0.6
212.10114	0.4
241.85770	0.2
291.19849	0.6
292.20065	0.3
304.02435	0.2
313.18243	1.1
314.18500	1.8
315.18893	1.3
316.19083	0.4
352.08578	0.2
397.13562	0.4
751.46320	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	751.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.8
58.99474	2.7
59.01271	8.0
60.99193	1.9
67.01778	5.5
67.40379	0.5
69.03336	2.5
69.74091	3.2
69.74510	1.2
71.01269	5.5
72.99210	0.9
73.02818	1.1
74.04990	0.5
74.97136	0.7
75.00761	0.6
78.95794	17.8
81.03341	2.3
83.04921	2.5
85.02842	12.3
87.00774	10.6
93.03360	39.0
94.03680	1.4
96.95916	8.9
96.96867	12.3
97.02834	1.0
97.34607	0.7
99.00790	1.4
99.04449	0.8
101.02374	1.2
102.98501	9.5
105.03355	1.7
109.02866	3.4
111.00786	1.8
111.04437	6.7
113.02362	2.1
117.03369	2.3
119.04932	4.8
120.99581	0.9
121.02871	1.5
122.03656	1.4
123.04437	2.0
124.01582	1.2
125.02374	1.1
127.03898	3.3
129.01851	1.4
132.02094	5.4
133.01871	0.7
133.02875	15.3
133.03822	1.1
134.03688	2.9
135.04448	17.4
137.02382	2.7
141.01894	0.7
143.03481	1.1
143.04955	0.9
145.02910	6.7
146.03314	1.1
147.04489	1.2
149.00639	0.7
149.02388	2.7
150.03183	10.1
151.02150	0.8
151.03952	1.7
155.03444	2.5
160.01604	14.0
161.02414	7.9
163.03932	4.9
164.04584	1.1
165.00117	0.8
165.05525	9.1
171.02859	0.6
173.04515	33.0
174.04890	1.5
175.03935	2.0
175.99390	1.2
177.00127	2.2
177.01891	6.3
177.05365	0.6
178.02684	2.6
179.03450	6.8
179.07135	0.8
180.04140	1.0
181.05032	0.9
185.02434	0.8
189.12852	1.0
191.05589	100.0
192.05927	4.5
193.05003	2.9
194.26033	0.7
194.68665	0.6
195.01244	1.8
195.06593	4.9
195.08179	1.3
201.04091	1.5
204.04292	1.0
205.62680	0.6
208.01897	0.6
211.07605	0.7
215.05598	9.0
215.07501	0.9
221.02823	1.3
223.04286	1.7
225.05847	1.0
227.03647	0.6
233.09499	23.1
234.09889	0.8
261.06268	3.5
267.07242	0.8
268.04001	0.7
283.02548	1.4
284.03061	0.8
285.04108	1.2
293.08340	0.6
307.08389	1.8
308.09079	2.3
327.08551	1.3
329.13882	1.4
337.10870	1.3
351.07275	34.6
352.07654	4.8
353.08966	0.9
367.10406	5.8
369.10068	3.3
385.07690	5.6
411.08939	3.7
471.11459	3.5
472.11380	1.0
477.19247	1.3
489.12238	1.1
507.20114	1.0
515.10309	2.5
525.14557	0.9
525.22095	0.8
543.15167	25.6
544.15570	4.4
553.13220	3.8
554.13800	0.7
561.28992	0.8
577.14105	1.0
665.16296	2.3
685.26422	0.9
707.16687	11.3
707.28619	1.3
708.17218	2.4
751.27515	3.7
772.52112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01267	0.8
61.98716	98.6
62.98430	0.3
63.99131	0.4
65.00228	0.4
69.03363	0.2
71.01263	0.4
71.04906	0.4
71.58925	0.3
78.95784	0.3
81.03353	2.7
83.01274	0.7
83.04924	0.4
85.02872	0.3
85.06488	0.4
87.04423	0.3
88.98689	0.2
93.03352	0.8
96.95885	0.3
97.02862	0.4
97.06461	1.2
107.01289	0.4
107.04916	0.5
108.02082	0.3
109.02863	0.3
109.06495	1.8
111.04426	3.5
122.03672	1.0
123.04395	0.3
123.08055	1.7
125.02361	5.8
133.02863	0.5
135.04428	1.2
136.04944	0.2
149.02396	0.7
151.00348	1.0
151.07584	24.0
152.07912	0.7
153.05502	0.3
161.02368	0.6
173.04420	1.0
177.05534	0.5
179.03349	1.4
189.12852	0.4
191.05553	2.3
191.07147	0.9
192.05850	0.3
195.06601	100.0
196.06944	5.6
205.08702	0.6
217.15968	1.9
219.06534	0.7
237.07652	0.8
261.14914	2.1
262.15372	0.2
299.01950	0.6
299.63464	0.2
300.02716	0.2
329.17624	11.2
330.17908	0.8
353.08856	1.5
354.09247	0.5
357.11954	3.2
358.11993	0.5
397.13617	0.4
425.14700	3.8
426.14990	0.5
625.19580	0.2
633.65723	0.2
687.30322	20.3
688.30780	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	750.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86770	0.3
57.03344	0.6
57.09014	0.2
59.01259	1.1
61.98718	100.0
62.98389	0.3
65.00218	0.4
71.01284	0.8
71.57514	0.4
81.03360	2.4
83.01258	0.5
85.02834	0.4
89.02367	0.4
96.95908	0.7
101.02365	0.4
107.01308	0.5
109.06525	1.5
111.04427	2.3
115.63940	0.3
122.03639	1.0
123.08086	0.3
125.02352	4.9
135.04482	0.5
149.02393	0.6
151.00305	0.8
151.07591	21.6
152.07951	0.9
161.02307	0.4
174.60385	0.3
177.05527	0.6
191.05522	0.6
191.07176	0.3
193.05135	0.3
195.06607	89.4
196.06970	5.4
219.06633	0.6
237.07632	0.7
263.32489	0.3
329.17728	0.3
339.10852	0.3
357.11893	1.1
687.30371	21.6
688.30560	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	750.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.5
59.01261	0.6
61.98718	78.1
62.98417	0.2
65.00210	0.4
69.03332	0.3
71.01292	0.3
75.28690	0.2
81.03348	2.9
83.01284	0.7
85.02863	0.2
85.06494	0.4
87.04409	0.4
89.02356	0.2
93.03381	0.2
98.19743	0.4
104.10027	0.2
107.01286	0.3
108.02123	0.4
109.06511	1.9
110.97260	0.2
111.04424	2.5
113.02362	0.3
122.03632	1.0
123.04433	0.2
123.08067	2.8
124.08447	0.2
125.02370	6.0
126.02742	0.2
148.01575	0.3
149.02359	0.7
151.00311	1.0
151.07593	24.1
152.07954	0.9
161.02391	0.3
167.03487	0.2
171.10249	0.2
177.05585	0.7
191.07091	1.9
192.07535	0.2
195.06609	100.0
196.06940	5.1
205.08719	1.9
206.09206	0.2
219.06601	0.8
221.08159	0.4
226.94318	0.2
237.07661	0.8
275.19998	0.2
287.51459	0.2
293.21375	0.4
329.17642	36.6
330.17932	3.7
339.10941	0.2
347.18582	0.4
348.19470	0.2
357.12006	7.4
358.12308	0.8
397.13434	0.5
616.61621	0.2
687.30353	11.4
688.30804	2.3
749.83807	0.3
750.32709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03333	0.5
58.00473	0.1
59.01266	100.0
60.01600	1.5
61.01684	0.2
62.96556	0.1
67.62106	0.1
69.52901	0.8
71.01272	8.3
71.04910	2.0
72.01615	0.2
72.99216	0.3
73.02837	3.0
75.00795	0.1
81.03371	0.1
83.01284	1.4
85.02845	4.6
86.00022	0.1
86.03185	0.1
87.00783	0.4
89.02316	0.6
91.43890	0.1
93.03323	0.1
94.65490	0.1
95.01293	0.6
97.02858	0.7
99.00778	1.5
101.02351	6.5
102.02689	0.2
109.02895	0.2
111.00823	0.2
113.02360	4.1
114.02722	0.1
115.03895	0.1
117.87691	0.1
119.03387	0.1
123.08079	0.9
125.02351	0.2
127.07582	0.9
129.01878	0.2
131.03400	0.2
133.10156	0.2
134.03616	0.1
135.04405	0.1
143.03473	0.4
145.10194	0.1
148.05124	0.1
153.12813	0.1
159.02965	0.8
160.01620	0.3
161.04504	6.0
162.04904	0.3
163.07747	0.1
165.05548	0.1
175.04010	0.4
189.09189	1.8
189.10791	0.1
190.09555	0.1
190.32309	0.1
191.05678	0.2
191.07184	0.3
191.14264	0.1
193.05074	0.2
194.05833	0.1
201.12799	0.1
205.03571	0.2
205.08717	0.3
209.08209	0.2
217.16055	0.1
219.13956	0.3
223.13609	0.1
231.14040	0.1
243.17610	0.1
245.11948	0.3
263.13101	0.5
275.13065	0.4
297.17038	0.1
303.16565	0.1
303.19644	0.4
313.16608	0.2
314.17001	0.1
315.18201	14.3
316.18552	1.1
329.17615	1.5
330.18137	0.2
347.18713	7.2
348.19098	1.0
349.19196	0.2
356.18015	0.2
357.19266	14.8
358.19577	1.5
359.17245	0.3
397.70895	0.1
401.18256	1.2
402.18985	0.1
487.34448	0.1
543.19104	0.4
544.18781	0.1
652.56586	0.1
659.83911	0.1
682.81427	0.7
683.31372	0.2
748.83801	0.7
749.33514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
57.03342	0.6
58.86237	0.2
59.01265	100.0
60.01597	2.2
61.01686	0.7
61.98713	0.4
69.03345	0.4
71.01268	8.3
71.04906	1.5
71.56050	0.2
72.01614	0.2
72.99174	0.3
73.02840	3.2
75.67767	0.2
83.01266	1.1
83.71327	0.2
85.02840	4.2
87.00773	0.5
88.98703	0.2
89.02332	1.1
95.01289	0.5
96.95940	0.3
97.02862	0.6
99.00779	1.2
101.02346	7.2
102.02699	0.3
113.02351	4.0
114.02699	0.4
123.08101	0.8
125.02354	0.4
127.07571	0.9
131.03419	0.3
133.02863	0.4
133.10176	0.3
134.03670	0.3
135.04425	1.0
143.03430	0.5
159.02957	0.8
160.01723	0.2
161.02487	1.1
161.04494	4.8
173.04462	0.2
173.11908	0.2
175.03957	0.3
179.03479	0.5
189.09146	1.9
191.05626	0.8
191.07196	0.3
195.06686	0.3
205.08650	0.3
219.13889	0.3
245.11951	0.3
263.12866	0.8
275.12921	0.4
299.02115	0.7
303.19797	0.4
313.16757	0.8
314.17093	0.7
315.18173	12.2
316.18408	0.9
329.17621	1.6
347.18692	7.8
348.19040	1.7
349.19211	0.4
355.17688	0.5
356.18091	0.7
357.19238	13.5
358.19635	1.6
401.18115	0.8
682.81580	2.2
683.31018	0.9
683.80536	0.2
748.83600	1.7
749.34082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21993	0.3
57.03338	0.4
57.90249	0.3
59.01271	2.4
61.98716	29.4
64.96891	0.3
67.01791	0.6
69.03336	2.3
70.73430	0.7
71.01271	4.9
71.04919	0.3
72.99203	1.0
73.02840	1.1
81.03349	0.5
83.01264	0.8
85.02845	3.5
87.00784	0.7
88.98690	0.9
89.02332	1.4
93.03362	0.6
93.36176	0.3
95.01270	1.1
96.95927	0.8
97.02843	0.3
99.00779	1.2
101.02351	1.3
107.04929	0.9
108.02078	49.5
109.02895	9.3
113.02336	2.3
119.04974	0.4
121.02869	1.1
123.00800	1.2
123.04396	0.6
125.02346	1.1
133.02867	0.8
134.03673	1.7
135.04465	1.2
145.02834	0.4
151.00264	0.6
151.03951	1.2
151.07585	0.9
152.01093	100.0
153.01817	5.2
161.02422	0.6
161.04517	1.2
163.03949	5.8
165.05511	0.4
165.12582	0.4
175.03983	0.4
177.01903	1.2
179.02002	0.4
179.03406	1.8
189.01698	0.5
191.05562	0.9
193.04942	0.6
195.06601	4.3
201.01718	1.9
207.03009	1.5
209.11818	1.4
210.12181	0.5
213.09300	0.9
217.04877	0.4
229.35666	0.4
257.08310	0.4
271.08316	0.8
275.23819	1.6
291.19687	0.6
297.06158	0.8
315.07217	1.7
319.22873	3.4
329.17676	2.3
331.19183	0.7
332.19589	0.5
357.12094	1.1
403.12695	0.5
419.13721	0.8
419.74423	0.4
429.10449	12.1
430.10938	1.0
447.11566	21.4
448.11972	2.3
545.18097	0.5
655.05579	0.3
663.27997	0.5
749.34033	87.5
750.34338	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	749.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64188	0.3
57.03320	0.7
57.17431	0.3
58.85162	0.3
59.00985	0.3
59.01256	1.7
61.98714	1.6
67.01765	1.1
69.03349	0.4
69.31273	1.9
69.31689	0.9
71.01273	1.6
73.02828	0.5
78.95775	0.5
79.23993	0.3
81.03340	0.7
83.04897	1.1
85.02840	7.7
87.00774	2.7
93.03361	6.5
96.95902	1.2
99.04422	0.6
107.04928	0.3
109.02840	0.9
111.04430	4.2
113.02352	0.8
117.03435	0.3
121.02866	0.4
123.04382	0.5
125.09602	0.9
127.03928	2.4
129.01851	0.4
133.02866	2.7
134.03731	1.8
135.04451	9.9
136.04799	0.6
137.02388	1.0
146.03658	1.6
147.04399	1.1
148.05273	2.9
149.05975	0.9
155.03459	3.1
159.04430	1.4
161.02393	6.2
162.03017	0.6
167.03419	0.4
171.02980	0.9
172.05229	0.9
173.02269	0.4
173.04497	9.9
173.06021	2.8
174.03188	4.6
174.04710	0.5
177.01912	0.4
179.03448	7.9
180.03876	0.5
182.12337	0.3
185.06004	0.9
186.06876	0.4
187.07628	0.3
188.08435	0.7
191.05585	100.0
192.05936	3.9
195.06664	0.5
199.07692	0.9
201.09190	0.7
204.04161	0.4
209.06100	0.3
211.05901	0.3
211.07690	1.1
225.09236	0.8
262.37106	0.3
267.13901	0.6
269.11923	1.3
279.13864	0.5
294.21075	0.3
313.10934	0.6
323.20093	0.7
335.07819	2.2
337.17792	0.5
337.21805	8.0
338.22049	1.2
339.19769	0.9
339.23486	0.4
351.19806	0.9
353.08875	3.7
353.21390	0.9
369.24426	27.8
370.24744	2.5
395.22421	4.0
413.23465	57.6
414.23776	8.3
467.80902	0.4
487.16089	1.0
587.28900	62.5
588.29260	11.2
649.19043	0.5
705.31030	0.4
749.31720	1.2
749.43323	0.4
750.31543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33875	0.2
54.75522	0.2
56.05502	0.2
57.64706	0.2
59.01255	1.2
61.98415	0.4
61.98718	4.6
64.14523	0.2
66.38944	0.2
67.01772	0.5
69.25029	2.6
71.01270	1.1
73.02834	0.4
78.95788	0.5
81.03362	0.2
82.95295	0.7
83.01271	0.3
83.04926	0.6
85.02839	6.4
87.00760	1.5
87.54597	0.2
88.98710	0.2
91.05426	0.4
93.03353	3.6
94.03639	0.2
96.95386	0.3
96.95909	1.5
97.02885	0.5
98.95502	0.5
99.04413	0.3
107.04935	0.8
108.02110	0.4
109.02872	0.6
109.06521	0.3
111.04428	2.6
113.02370	0.4
114.62934	0.2
116.92764	0.7
117.03370	0.7
118.95915	0.2
125.02376	0.3
127.03943	1.9
129.01855	0.4
133.02888	1.8
134.03685	3.9
135.04448	52.9
136.04745	1.9
137.02388	0.8
143.06174	0.2
151.07529	0.4
151.73579	0.2
152.01117	0.3
155.03439	2.1
161.02382	5.2
162.02754	0.3
167.70517	0.2
171.02975	0.5
173.04518	5.3
174.03181	1.6
174.04489	0.3
179.03458	48.6
180.03792	2.3
191.05579	100.0
192.05920	3.8
195.06635	1.9
209.11815	0.5
299.01938	0.4
335.07855	0.5
353.08835	90.1
354.09201	6.6
395.22281	0.8
413.23370	0.5
483.31464	0.3
522.75299	0.2
569.27557	1.3
587.29260	1.1
687.31183	0.4
749.32983	0.8
750.31030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
59.01271	1.4
60.99197	0.5
67.01785	2.1
70.91306	0.4
70.91630	0.9
71.01266	1.6
73.02833	0.6
79.63792	0.3
81.03355	1.1
83.04924	1.1
84.39713	0.3
85.02840	8.1
87.00776	3.5
89.03871	0.7
91.05450	0.7
93.03357	17.8
94.03713	0.5
99.04417	0.6
105.03384	1.1
107.04945	2.0
109.02859	2.2
111.04417	4.6
117.03389	1.3
127.03941	2.5
129.07043	0.6
130.64105	0.3
133.01860	0.7
133.02879	13.1
134.03676	12.6
135.04449	62.1
136.04739	2.5
137.02371	1.9
147.04471	0.4
149.06134	0.5
150.03111	0.4
155.03429	3.2
160.01617	0.4
161.02390	7.8
171.02924	0.8
173.04514	16.3
173.06007	0.9
174.04883	0.4
175.03920	0.4
177.01892	6.1
178.02275	0.5
179.03461	52.3
180.03777	2.5
191.05580	100.0
192.05914	3.6
193.05046	6.8
193.34674	0.3
210.14061	0.4
215.05606	3.9
225.16293	0.3
267.14005	0.6
274.65894	0.4
275.20239	0.4
293.22864	7.3
294.23117	0.6
309.22284	1.6
335.07785	3.2
337.21851	2.7
349.09375	2.0
351.07300	7.7
351.23325	2.3
352.07651	0.6
353.08865	18.4
354.09140	1.9
363.19693	0.4
369.42416	0.4
381.20856	3.1
382.21130	0.4
413.23380	0.8
513.10559	4.0
514.10962	0.4
527.11816	0.8
537.71204	0.4
555.26111	30.0
556.26453	5.3
587.28656	11.6
588.29034	1.7
633.66943	0.5
717.29248	11.0
717.41608	0.7
718.29590	2.1
749.46295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06158	0.2
59.01266	0.9
64.46973	0.2
67.51418	0.2
68.86760	0.2
69.41243	0.9
69.41680	0.7
71.01266	0.4
73.83826	0.2
78.95795	9.0
83.04913	0.4
85.02843	3.6
87.00779	0.9
93.03358	3.6
95.04935	0.2
96.96867	7.3
96.97504	0.4
107.04932	0.9
108.02061	0.3
109.02895	0.5
111.04423	1.1
117.03411	0.3
119.04923	0.2
127.03930	1.2
133.02879	1.0
134.03651	1.7
135.04453	39.2
136.04776	1.6
137.02379	2.3
155.03448	1.3
161.02377	4.5
163.03954	0.3
171.03017	0.4
173.04517	3.8
178.87793	0.2
179.03461	45.0
180.03766	2.1
191.05583	84.8
192.05922	3.4
195.05022	0.2
200.74681	0.2
233.09502	14.5
234.09863	0.9
239.56548	0.2
327.09091	0.2
328.36478	0.2
335.07825	0.5
353.08847	100.0
354.09213	7.8
413.11020	2.5
414.11261	0.3
481.54437	0.2
515.11926	7.9
516.12598	1.4
581.53577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.2
59.01257	1.3
60.99191	0.2
61.24894	0.1
64.03028	0.1
67.01772	0.5
69.03358	0.1
70.34243	0.5
71.01276	0.9
72.90859	0.1
73.02843	0.2
78.95799	1.3
81.03343	0.3
83.04905	0.6
85.02841	4.6
87.00784	1.1
89.02322	0.2
89.03898	0.1
91.05433	0.3
93.02761	0.3
93.03359	4.5
96.95907	0.1
96.96886	0.8
99.04404	0.2
101.02345	0.2
107.04946	0.7
109.02851	0.6
111.00781	0.2
111.04436	2.0
113.02348	0.2
117.03385	0.4
127.03942	1.6
129.01875	0.2
133.02882	1.6
134.03677	2.8
135.04448	52.1
136.04782	2.2
137.02354	0.9
141.09102	0.1
155.03430	2.1
161.02391	6.3
162.02722	0.2
163.03912	0.2
171.02942	0.4
173.04510	15.1
174.04887	0.6
178.26878	0.1
179.03459	55.5
180.03798	2.7
191.05582	100.0
192.05930	3.8
196.07486	0.1
203.03473	0.5
233.09518	0.9
234.09912	0.2
299.05838	0.2
317.06616	0.3
335.07712	1.6
353.08838	93.5
354.09180	7.7
515.12061	14.2
516.12439	2.0
586.55438	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	749.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.0
60.65695	0.6
67.01779	3.0
68.29019	0.6
69.56275	3.9
71.01273	2.3
73.02850	0.6
77.44874	0.6
78.95799	7.8
81.03343	1.0
83.04910	0.9
85.02856	3.9
87.00779	0.7
93.03358	18.6
94.03732	1.1
96.96875	5.7
109.02882	1.5
111.04450	4.4
127.03928	1.3
133.02849	1.8
134.03641	1.7
135.04451	65.3
136.04753	2.0
137.02386	5.0
155.03456	5.2
161.02414	6.0
173.04512	100.0
174.04871	4.0
175.06071	2.0
179.03464	77.4
180.03783	2.3
191.05589	58.1
192.05959	1.5
194.00740	0.7
195.06635	6.5
203.03514	3.4
233.09506	5.8
234.09848	1.4
299.05634	1.4
317.06787	1.6
335.07858	1.2
353.08844	73.0
354.09189	6.6
394.69281	0.7
515.11969	41.5
516.12128	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	747.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90979	0.2
59.01272	0.3
59.28198	0.2
61.98694	0.7
69.03341	1.2
71.01233	0.3
71.57441	0.2
71.57796	0.2
71.59112	0.2
78.95818	1.1
81.03333	0.3
83.04919	0.8
85.02861	0.2
87.00774	0.2
91.05457	0.3
93.03354	0.7
93.90440	0.2
94.91736	0.2
99.04420	0.8
107.04934	0.4
108.55405	0.2
111.04430	7.1
112.04842	0.3
119.04917	0.5
119.08585	0.7
121.02892	0.3
121.06490	0.8
121.65401	0.2
123.08069	0.7
127.03948	0.2
131.01350	0.4
133.02856	0.2
133.06538	0.3
134.03671	0.5
135.04448	1.9
152.99506	0.5
161.02368	0.3
163.03935	0.5
163.07588	0.2
173.04514	0.8
177.01845	0.2
179.03439	0.7
187.11224	0.9
191.05600	1.1
201.12805	0.5
203.14401	6.2
204.14786	0.5
207.02948	0.6
233.15475	5.0
234.15894	0.5
255.23344	0.7
268.40729	0.3
271.20740	4.4
299.16702	0.4
315.19705	100.0
316.20050	10.1
316.23849	0.3
353.08817	0.2
381.08618	0.3
411.21960	0.7
431.23599	0.3
585.27106	1.3
599.62897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.2
60.01600	0.4
61.01695	0.3
61.98717	100.0
62.98413	0.2
70.32562	0.2
71.01278	0.2
83.35341	0.1
85.02862	0.1
89.02338	0.2
98.19897	0.1
101.02370	0.2
104.16148	0.1
108.90614	0.1
113.02379	0.1
120.63526	0.1
151.03954	0.2
161.02397	0.6
162.02750	0.2
163.02907	0.1
176.04836	0.3
177.05165	0.2
179.03494	0.8
180.03802	0.4
181.04007	0.3
185.11688	0.1
189.12845	0.3
190.13316	0.1
191.05598	0.1
191.07123	0.2
194.05823	1.0
195.06160	0.6
196.06480	0.3
197.06729	0.2
197.11819	0.1
205.08751	0.3
206.09006	0.1
209.08199	2.0
209.11798	0.2
210.08551	1.6
211.08696	0.8
211.13451	0.1
212.09039	0.2
291.19705	0.9
313.18158	1.2
314.18524	1.8
315.18747	1.2
316.19101	0.4
348.38577	0.1
397.13708	0.4
415.14767	0.3
421.08926	0.1
480.75436	0.1
689.34503	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	747.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
58.13768	0.1
59.01266	1.6
60.57413	0.1
62.96297	0.2
64.38075	0.1
71.01260	0.6
73.02836	0.2
78.95795	56.7
79.95653	0.1
83.04907	0.1
85.02837	0.3
89.02364	0.2
93.03371	0.5
95.96127	0.1
96.95977	2.2
96.96864	47.7
98.19705	0.2
99.00785	0.1
99.04439	0.2
101.02336	0.3
113.02383	0.2
119.04939	0.2
121.02884	0.2
125.02368	0.2
133.02876	1.1
135.04436	0.5
137.02362	0.4
144.19141	0.1
161.02391	0.5
161.04504	0.1
161.94272	0.1
162.16162	0.1
163.03946	0.2
165.05453	0.1
168.42349	0.1
172.66884	0.1
173.04515	0.8
177.01897	0.4
179.03438	0.6
191.05585	1.6
227.03268	0.1
233.09499	100.0
234.09825	5.9
234.12228	0.2
243.63405	0.1
267.58194	0.1
282.76294	0.1
299.01974	0.2
300.02924	0.2
308.08798	0.1
337.09296	0.1
351.07364	0.8
353.08856	0.2
369.48755	0.1
513.10339	0.2
518.97662	0.1
659.06995	0.2
747.37946	0.9
748.38049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37952	0.1
56.41048	0.2
59.01265	98.5
60.01604	0.9
61.98716	1.4
69.70586	1.1
70.23449	0.1
71.01272	1.1
78.95823	0.2
81.03355	0.6
85.02859	0.4
87.00785	0.3
88.98710	0.4
95.01310	0.2
96.95933	0.5
97.02854	0.6
97.06475	0.4
99.04418	0.3
100.69167	0.2
101.02372	0.2
108.02065	0.2
109.02884	0.3
113.02308	0.2
122.03666	1.4
123.04474	0.2
133.02852	0.2
135.04440	0.2
135.08109	0.3
147.08087	0.2
149.05963	0.2
151.00317	0.2
151.03951	0.9
153.05505	0.8
154.75677	0.2
159.08109	0.4
159.46140	0.2
161.04486	0.4
161.09642	0.6
173.09634	0.5
181.05029	19.1
182.05400	0.8
187.11275	0.8
189.05550	0.4
189.12827	15.7
190.13152	1.1
191.05548	0.4
191.07085	3.3
196.07390	17.0
197.07851	1.0
205.08684	10.6
206.09026	0.8
207.10191	0.6
209.11845	0.5
211.09753	24.8
212.10072	1.4
215.07016	0.3
241.15807	0.2
243.13887	0.5
255.23239	0.2
263.11026	0.2
269.19199	2.2
270.19614	0.3
283.16971	0.4
285.18234	0.2
295.17004	0.2
313.18161	100.0
314.18488	10.7
331.19208	3.9
332.19507	0.4
518.19568	0.2
587.78088	0.2
608.70105	0.2
747.31494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.6
57.03334	0.6
57.93547	0.2
59.01267	100.0
60.01609	0.9
60.07378	0.2
69.81995	1.0
71.01273	9.1
71.04901	1.6
73.02837	3.3
83.01295	1.2
85.02846	4.8
87.00767	0.4
89.02346	0.4
95.01302	0.7
97.02892	0.8
99.00785	1.1
101.02348	6.7
107.40190	0.2
109.02905	0.2
113.02360	4.2
116.93734	0.2
123.08086	1.1
125.02435	0.4
127.07588	1.1
129.01846	0.2
133.10173	0.3
135.89781	0.2
143.03450	0.4
151.11269	0.7
159.02913	1.2
161.04514	4.5
189.09186	1.8
191.07155	0.3
205.08771	0.4
219.13960	0.4
245.11923	0.3
263.13077	0.8
275.13089	0.3
301.51685	0.2
303.19839	0.5
313.16653	9.6
314.17151	0.7
329.17612	1.5
332.86758	0.2
347.18704	7.3
348.19223	0.9
355.17700	10.5
356.18082	1.0
399.16772	0.3
481.37421	0.2
533.56287	0.2
665.90619	0.2
682.32251	0.4
745.04047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	6.1
69.03346	2.6
69.59898	2.3
71.01273	0.7
73.02801	0.4
81.03362	0.6
83.01281	0.9
89.67839	0.4
95.01274	1.0
96.61951	0.4
97.02849	14.0
98.19892	0.5
101.02361	0.6
107.01244	0.3
107.09863	0.3
125.02366	100.0
125.91018	0.4
126.02706	3.2
135.04453	0.5
169.10361	0.3
179.03462	0.7
186.06758	0.3
191.03831	0.4
191.05565	3.0
203.05609	1.4
329.08801	5.9
334.97424	0.3
393.11218	0.4
409.08936	0.4
578.85175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83553	0.5
58.03675	0.5
59.01268	100.0
60.01607	1.2
60.51423	0.5
61.98723	0.5
64.62717	0.5
66.57020	0.5
70.76785	1.2
80.96435	1.0
87.61968	0.5
98.20392	0.6
177.36945	0.5
191.05634	1.6
225.00835	0.5
255.23508	0.7
330.70215	0.6
440.14621	0.6
453.12289	0.6
455.17401	3.9
456.17715	0.6
459.16681	0.6
469.11777	1.0
473.18451	4.9
474.18945	1.3
483.12781	1.0
495.13681	0.7
496.14145	2.5
497.14880	0.7
510.16031	0.7
511.17078	0.7
512.13416	9.0
513.13824	3.0
525.14581	1.0
526.15088	11.5
527.15521	4.3
528.15759	0.6
569.16986	1.7
586.17059	0.8
599.18085	0.9
600.18683	1.5
601.19684	3.8
602.19897	0.8
613.19495	2.0
614.20331	68.3
615.20618	21.6
632.18030	1.5
646.19373	11.0
647.19073	2.5
687.23389	4.3
688.23407	1.7
693.43976	0.6
746.51221	0.7
747.25409	58.8
748.25647	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94864	0.8
70.73472	2.7
75.77567	0.7
78.95797	40.4
80.96400	2.6
93.27881	0.8
94.98011	0.9
96.96867	3.2
152.99524	43.5
171.00562	4.5
227.03265	3.7
253.21771	21.6
254.22072	2.6
255.23360	11.6
256.23569	3.9
278.22125	1.2
279.23346	5.5
280.23697	1.0
281.24911	100.0
282.25235	7.8
283.26361	0.9
284.73499	0.9
306.39224	1.0
311.22131	1.2
417.24185	2.2
467.97360	0.9
491.27649	1.5
497.35367	0.9
507.26047	0.9
509.28964	71.5
510.29398	7.5
745.50391	33.2
746.50732	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	745.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63638	0.2
59.01244	0.3
68.21633	0.2
69.38631	1.5
71.01288	0.2
78.95792	59.9
96.96862	49.9
119.04906	0.2
124.40810	0.1
133.02829	0.3
139.07634	0.2
146.51523	0.2
151.07619	0.2
157.91893	0.2
159.51625	0.2
161.02373	0.6
163.03900	0.2
176.31886	0.2
190.23495	0.2
191.05606	0.9
228.85092	0.2
231.36732	0.2
233.09494	100.0
234.09834	5.3
263.12970	0.6
464.74182	0.2
511.22284	0.5
745.36127	1.4
746.36279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.3
62.96305	0.2
71.01267	0.1
73.18909	0.1
78.95792	54.8
82.73975	0.1
93.03374	0.2
95.96117	0.1
96.96863	46.7
98.20518	0.2
145.02863	0.2
150.00864	0.1
163.03877	0.1
173.04529	0.1
191.05569	0.6
207.04283	0.6
229.33759	0.1
233.09492	100.0
234.09819	5.8
234.12231	0.2
249.09026	2.7
250.09337	0.1
265.08603	0.1
291.42612	0.1
327.09061	0.1
346.20197	0.1
434.08975	0.1
511.25443	0.1
539.28827	0.1
745.35986	0.5
746.35712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85314	0.1
54.72480	0.1
59.01266	1.2
59.20595	0.1
61.98696	0.3
62.96294	0.2
63.85003	0.1
69.03319	0.2
71.01278	0.6
78.95795	60.9
81.03365	0.1
83.04925	0.1
85.02831	0.7
87.00780	0.3
88.98697	0.2
89.02340	0.4
89.30386	0.1
93.03356	1.0
96.96864	48.5
97.02847	0.3
98.20663	0.3
101.02336	0.4
102.04601	0.1
103.21457	0.1
109.02911	0.1
111.04427	0.2
113.02331	0.3
117.03362	0.3
119.03451	0.2
119.04971	1.0
126.56207	0.1
127.07558	0.9
129.01706	0.2
133.02895	0.2
134.03664	0.4
135.04480	0.2
137.02351	0.2
145.02895	0.6
151.00252	0.2
151.24400	0.1
162.03142	0.2
163.03998	0.8
163.05186	0.1
165.05638	0.2
173.04524	0.6
174.66885	0.1
175.03941	0.2
179.03349	0.2
191.05589	3.1
191.06998	0.2
192.05945	0.2
193.04964	0.2
201.03961	0.2
205.08665	0.2
212.96497	0.1
233.09500	100.0
234.09836	5.0
243.05640	0.1
279.06607	0.2
285.04166	0.2
285.59869	0.1
313.18112	0.3
327.08878	0.2
331.19119	0.8
332.19473	0.1
335.22302	0.2
342.52734	0.1
349.20377	2.0
350.20380	0.2
450.50504	0.1
493.24704	0.2
497.27817	1.3
511.25641	2.3
512.26019	0.2
539.28314	0.3
745.36285	0.8
746.36328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.3
60.70342	0.1
61.98692	0.1
62.96304	0.2
64.87340	0.1
71.01266	0.2
72.31458	0.1
76.91106	0.1
78.95794	61.2
82.34990	0.1
85.02839	0.1
93.03347	0.3
95.96093	0.1
96.96864	48.7
100.95596	0.1
107.72765	0.1
126.67594	0.1
133.02826	0.2
135.04451	0.4
137.02264	0.1
161.02373	0.4
179.03432	0.1
191.05603	0.7
205.30644	0.1
219.13817	0.2
221.28122	0.1
229.53377	0.1
233.09497	100.0
234.09836	5.4
234.12242	0.2
263.12921	0.5
299.01913	0.1
511.21716	0.3
535.19849	0.2
652.55017	0.1
745.36163	1.1
746.36591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01591	1.1
60.22414	0.2
60.44273	0.2
71.01231	0.2
71.44535	0.5
73.00769	0.2
75.00768	0.3
81.03337	0.4
83.86284	0.2
93.03374	0.3
95.04904	0.4
105.03356	0.7
109.02831	0.4
110.68503	0.2
114.09956	0.2
116.92764	0.7
117.92781	0.3
121.02833	0.5
122.03655	0.9
123.04448	0.4
133.02895	0.7
135.08104	0.4
139.81523	0.2
140.86765	0.2
151.03937	3.7
159.08170	0.4
161.02385	20.0
161.09650	0.4
162.02730	0.8
173.09659	0.4
176.04741	12.9
177.05098	0.5
179.03456	31.5
180.03789	1.5
187.11252	0.6
189.12819	10.5
190.13124	0.7
191.05629	0.4
191.07101	8.6
192.07361	0.3
194.05817	35.7
195.06261	2.0
197.60403	0.3
205.08681	8.9
206.09065	0.5
209.08179	91.5
210.08510	5.4
269.19141	1.3
283.17142	0.5
294.88861	0.3
313.18158	77.0
314.18497	9.6
314.22205	0.5
331.19238	1.7
538.65717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.2
57.03342	4.0
59.01266	32.7
60.01596	0.5
61.98687	0.4
67.01773	0.5
68.99716	0.4
69.03336	1.1
71.01273	20.2
71.60737	0.6
72.99207	4.5
73.02840	4.2
75.00768	23.7
78.95791	3.2
81.03371	0.4
83.01281	3.3
84.02069	0.4
85.02847	27.1
87.00777	7.6
89.02328	2.3
93.03349	1.8
95.00803	0.3
95.01304	3.6
96.95908	3.2
96.96861	1.6
97.02840	1.2
99.00162	0.6
99.00782	7.7
101.02345	5.5
103.00240	0.5
109.02853	0.5
109.42348	0.3
111.00792	1.0
112.01577	0.8
113.02360	25.6
114.02688	0.8
115.00303	2.8
117.01844	1.3
117.03356	1.4
119.03418	0.6
119.04920	1.7
125.02355	1.3
129.01842	0.8
131.03426	0.3
134.03766	0.4
135.04416	0.9
137.02397	0.7
139.19600	0.3
143.03419	0.4
145.02905	4.5
151.03972	0.3
157.01363	0.7
159.02913	0.6
161.02351	0.9
161.04478	0.5
163.03923	1.4
173.04526	0.9
175.02460	2.1
191.05659	3.1
193.05028	0.6
201.04010	0.6
227.23509	0.4
231.10286	0.3
233.09479	1.0
239.65118	0.3
253.07175	2.1
254.62364	0.3
261.06262	1.6
283.02631	0.4
301.03604	0.3
315.14255	0.4
329.17767	0.3
355.12167	0.4
367.11829	0.6
391.10016	0.4
407.09943	1.8
481.28442	0.6
497.27667	0.4
523.29187	3.1
524.30206	0.4
529.24377	0.4
539.28729	1.2
583.31152	0.6
641.31641	0.6
685.25385	0.4
701.34064	100.0
702.34381	20.4
745.37402	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68395	0.3
55.01778	0.4
57.03323	0.2
58.62336	0.3
59.01264	10.5
61.98704	0.5
69.03340	0.8
71.01267	5.0
71.58257	0.4
72.99200	0.4
73.02832	1.6
75.00760	0.7
78.95793	4.7
82.95337	0.2
83.01274	1.1
85.02845	1.7
87.00786	0.9
89.02332	2.5
93.03373	1.5
95.01300	0.4
95.96062	0.3
96.95915	5.2
96.96840	1.5
97.02853	0.7
98.95496	2.5
98.96326	0.5
99.00812	0.4
99.04457	0.3
101.02346	5.0
107.04927	0.3
108.02020	0.3
109.02876	1.0
111.00805	0.9
111.04480	0.4
113.02374	1.8
117.01901	0.3
117.03381	4.1
119.03452	0.4
119.04955	3.8
121.02899	0.6
123.08118	0.3
125.02392	0.3
127.07569	0.3
131.03409	0.6
132.02048	1.7
133.02896	1.2
133.04982	0.7
134.03664	67.7
135.03947	2.6
136.01579	0.3
137.02388	2.0
139.03932	0.9
141.01906	0.5
143.04948	1.1
145.02888	14.7
146.03235	0.9
149.00011	0.6
149.06018	21.5
150.03116	0.3
150.06363	1.0
151.04109	0.4
151.06058	7.0
153.01897	1.1
160.01604	16.3
161.02130	0.9
161.04497	0.4
163.01636	0.4
163.03946	3.3
165.05540	0.4
173.04594	0.7
175.03960	23.6
176.04295	1.4
178.02676	6.9
179.03358	1.0
179.05423	0.2
191.05722	3.3
191.07198	0.5
193.05035	94.6
194.05380	5.3
195.06570	0.4
195.08171	1.0
201.03998	1.8
209.11871	0.4
211.07610	0.3
213.14915	0.7
215.06911	0.3
233.09497	1.5
235.06113	0.8
249.09203	0.8
253.96886	0.3
261.06186	5.4
261.08911	0.4
262.06567	0.6
293.08313	0.4
299.14215	0.3
305.21344	0.4
311.09195	0.8
312.08969	0.3
319.74234	0.3
327.10916	100.0
328.11258	9.6
331.19205	0.3
347.07761	0.4
349.20203	1.1
376.69760	0.3
407.09866	6.6
408.10175	0.6
497.27713	0.7
519.09351	0.3
537.14594	0.3
539.28937	0.6
551.25366	1.9
552.25134	0.3
555.15247	1.9
555.28394	0.4
556.15973	0.3
556.28027	0.3
583.30817	1.5
641.31458	1.5
645.18713	0.3
659.32764	0.5
669.93359	0.3
701.33838	1.2
745.37030	2.4
746.36273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
57.03330	0.5
58.00476	0.8
59.01264	35.2
60.01612	0.3
69.03352	0.3
71.01268	16.4
71.57962	0.3
71.58356	0.3
72.99200	1.1
73.02832	7.8
73.03248	0.4
75.00749	0.4
78.95792	18.4
83.01276	2.9
85.02843	5.9
87.00776	1.5
89.02334	8.6
93.03339	0.3
95.01290	1.5
96.96861	14.2
97.02851	0.6
99.00774	0.8
99.04429	0.4
101.02342	10.5
101.03014	0.5
102.02692	0.3
108.80869	0.2
113.02357	8.7
113.53938	0.2
114.80734	0.3
119.03426	3.2
123.04427	0.3
123.08077	0.3
124.13259	0.3
125.02369	0.4
131.03441	0.5
133.02855	0.4
135.04445	0.3
143.03415	0.9
161.02385	0.4
161.04480	1.3
179.03506	0.3
179.05637	0.3
191.05606	1.7
207.04208	0.5
233.09485	26.7
234.09857	1.6
245.93962	0.2
249.09033	0.5
265.08389	0.3
271.02545	0.5
280.05527	0.3
353.08838	0.3
434.24399	0.2
479.26517	2.5
480.26706	0.5
497.27652	6.4
498.27982	0.9
511.25549	2.6
521.27570	0.3
539.28705	100.0
540.29065	18.1
540.35291	0.3
540.37927	0.3
563.28937	1.6
564.44745	0.3
745.35474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34714	0.5
54.13014	0.5
55.15437	0.5
57.03342	1.0
58.00486	4.1
59.01266	100.0
60.01594	1.1
61.97717	0.5
69.84395	2.7
71.01272	75.7
72.01619	1.1
72.99206	6.7
73.02845	1.9
78.95796	10.4
83.01262	2.9
85.02845	9.9
87.00768	7.6
89.02341	91.6
90.02676	1.8
93.03383	3.5
95.01302	4.7
96.60234	0.6
96.95914	0.9
96.96861	6.7
97.02856	0.9
99.00750	1.0
101.02353	41.7
102.02653	0.6
108.02064	1.0
109.02837	0.7
113.02360	30.4
117.03368	2.1
119.03426	41.2
119.04887	2.8
120.03738	1.3
121.02890	3.8
122.03656	3.4
123.00771	0.9
123.04397	0.8
125.02370	1.4
127.07561	0.7
131.02524	0.8
131.03418	4.4
132.03822	0.6
133.02858	1.8
134.03642	1.7
135.04442	1.9
136.01590	16.0
137.02318	2.7
143.03445	9.5
145.02882	10.1
146.03731	2.7
147.04416	2.3
149.02393	5.1
149.04475	3.6
149.05801	0.5
150.01956	1.0
150.03169	19.4
150.17439	0.6
151.00308	4.4
151.02840	0.9
151.03961	14.8
152.01009	0.8
160.01544	0.6
160.05101	0.8
161.02396	7.4
161.04503	8.0
161.05870	1.0
162.03177	34.9
163.03905	3.3
164.04620	0.6
165.04131	1.3
165.05530	24.5
166.02676	13.6
166.05852	1.2
173.04539	1.4
175.03940	1.5
176.00917	0.6
177.02135	1.1
177.05536	24.5
178.05791	0.8
179.03329	1.2
179.05586	25.2
179.07156	1.2
180.04184	4.0
180.05780	1.5
181.05040	17.4
189.05508	0.9
190.06255	0.8
191.03796	0.7
191.05594	5.4
192.04230	0.7
192.05888	0.7
193.04912	0.8
195.06615	28.5
196.06905	2.1
205.05092	0.8
219.06595	0.8
233.07510	0.8
233.09535	10.9
234.09830	5.1
235.09929	1.8
249.46262	0.5
322.08337	0.7
329.10144	0.9
347.18549	0.9
357.09052	1.1
357.12692	2.7
359.13068	0.6
372.12100	1.2
387.14618	15.9
388.14587	1.6
468.12363	0.7
547.19885	10.6
548.19794	2.2
583.22076	5.8
584.21979	1.2
745.26831	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	745.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.5
58.98457	0.3
59.01271	6.7
61.98723	6.3
70.35926	0.4
71.01272	5.5
71.59410	0.6
72.99200	0.6
73.02828	0.5
78.95811	0.8
85.02857	2.1
87.00794	1.1
89.02346	5.1
93.03368	5.9
93.27285	0.4
95.01308	0.9
95.04908	0.6
96.95923	3.7
97.02837	0.4
101.02352	2.7
107.04922	0.4
108.02094	1.5
109.02869	1.7
113.02367	2.6
116.92814	0.4
117.03394	0.5
119.03449	2.2
119.04918	1.9
120.01222	0.6
121.02875	12.8
122.03659	14.3
123.00786	1.5
123.04456	1.3
124.01584	1.4
125.02354	0.9
131.04976	0.4
132.02040	0.5
133.02893	3.2
134.03696	3.2
135.04460	8.7
136.01595	21.2
137.02420	4.8
137.20995	0.4
138.02888	0.5
139.03853	0.6
143.03471	0.6
145.02875	1.4
146.03662	0.6
147.04453	1.2
148.01613	0.4
149.02394	29.5
149.06042	1.5
150.03177	96.3
151.00343	4.3
151.03972	24.8
152.01073	1.7
152.04443	1.2
153.01799	1.0
153.05524	0.8
154.02637	1.0
155.03482	0.4
159.04474	0.9
160.01582	0.4
160.05255	1.5
161.02365	1.0
161.04620	0.5
161.06006	1.4
162.03183	4.0
163.03960	4.8
164.04742	7.4
165.05534	100.0
166.02676	16.2
166.05853	4.2
167.03476	3.1
171.04507	0.5
172.05249	1.6
173.04466	2.1
173.05898	0.7
174.03145	0.7
175.03947	4.3
175.07637	0.7
176.04623	0.9
177.01894	1.5
177.05534	5.1
178.02644	0.6
179.03455	0.8
179.05553	1.3
179.06975	0.9
180.04253	5.7
181.05035	19.9
182.05353	1.3
187.04010	0.9
189.05579	4.0
190.06325	8.3
191.03539	1.2
191.05588	5.5
191.07066	0.7
192.04250	0.6
192.05902	0.5
193.05026	1.7
195.06616	59.8
196.06970	3.7
205.05066	0.9
205.08720	1.3
206.05853	0.7
207.06645	0.8
211.07639	0.4
220.07176	0.4
221.08163	1.1
223.07558	0.5
239.03557	0.5
253.08876	0.5
261.06146	0.6
266.05927	1.1
267.07172	0.5
279.06824	0.5
280.07376	0.4
282.05414	1.6
283.02213	0.4
294.05457	0.5
297.07809	1.2
299.01993	0.5
299.09537	0.5
309.07690	1.0
314.07974	0.8
315.08606	1.8
316.09521	0.4
323.09247	0.6
325.07358	0.5
325.10880	1.3
326.11603	0.8
327.08908	0.7
329.10318	3.7
339.08813	1.0
340.09512	0.5
340.13336	0.6
342.11151	1.8
343.12277	0.4
354.10889	0.5
355.11694	0.7
356.12534	2.5
357.09772	3.5
357.13538	8.5
358.09894	0.5
358.13879	0.8
369.13660	2.0
372.12247	4.6
373.13150	2.0
383.11166	0.5
386.13736	1.6
387.14587	48.2
388.14868	5.3
474.17392	0.4
490.16266	1.3
491.17737	0.5
505.18738	4.0
506.18994	0.6
515.57397	0.4
517.18896	0.7
520.17603	0.7
535.19873	59.4
536.20209	9.3
553.21008	1.9
565.21088	3.5
583.22009	48.0
584.22296	9.3
685.40308	0.5
745.27832	0.7
776.79242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97622	0.2
59.01268	19.0
60.01587	0.2
61.98723	1.9
71.01271	0.2
71.27623	0.3
78.95792	0.5
85.02859	0.2
88.98698	1.0
93.03397	0.8
95.04893	0.5
96.95927	0.6
97.06448	0.2
101.02361	0.1
105.03362	0.3
111.04381	0.2
113.02396	0.2
121.02860	0.7
122.03644	0.3
123.04411	1.3
131.02315	0.2
133.02960	0.2
135.04427	0.2
145.02901	0.7
149.02388	4.5
149.03571	0.3
152.99506	0.4
163.03949	0.6
173.04556	0.2
177.01897	49.7
178.02226	1.9
179.03377	0.2
187.11267	0.2
189.12827	2.9
191.03476	1.2
191.05576	0.5
191.07130	0.6
192.04260	61.6
193.04628	3.2
205.08710	2.2
207.06622	100.0
208.06963	5.0
213.14969	0.2
253.21806	0.2
255.23431	0.2
269.19226	0.5
279.23413	0.6
313.18167	17.5
314.18494	1.5
325.22198	0.2
331.19278	0.5
343.22363	0.2
387.06412	0.1
402.47330	0.2
434.67612	0.2
450.79196	0.2
506.26187	0.2
507.27182	0.6
567.58740	0.1
636.08240	0.2
639.26239	0.2
743.35229	0.3
743.48608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14477	0.3
59.01264	5.2
61.98712	0.6
66.98592	0.4
71.11139	0.9
78.95795	27.2
81.03389	0.4
96.96857	2.5
99.53443	0.3
101.32161	0.4
116.97167	0.5
134.98540	0.5
140.00435	0.5
141.01642	2.6
152.99529	21.6
153.99971	0.4
171.00604	4.2
191.05603	0.9
191.98926	0.4
209.02190	0.7
209.11784	0.9
211.13531	0.5
219.34341	0.4
227.03329	1.3
230.87128	0.5
237.99239	0.4
252.64624	0.4
253.21785	1.1
255.23343	100.0
256.23691	8.2
259.20792	0.4
261.08261	0.4
277.21793	53.8
278.22079	5.5
279.23318	3.7
280.23544	1.3
283.26251	1.0
291.70721	0.5
293.21332	0.6
309.20663	0.5
334.71957	0.4
391.22693	1.5
413.21066	3.1
465.26523	1.4
483.27264	1.0
487.24835	1.6
505.25647	2.1
506.26254	0.5
507.27228	2.2
508.27246	0.4
611.59271	0.4
743.48853	62.7
744.49213	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	743.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	9.1
60.99194	4.0
69.32211	1.6
69.32638	2.1
71.01272	6.5
72.99198	0.9
73.02826	1.4
78.95778	0.5
80.16429	0.3
85.02847	4.3
87.00780	3.9
88.00314	0.6
88.98701	31.4
89.02337	2.0
93.03357	0.9
95.01282	1.2
96.95914	2.6
97.02883	0.5
101.02348	4.0
111.04404	0.5
113.02358	8.4
119.03422	0.6
119.04958	1.7
125.02361	0.4
131.03470	0.6
135.04446	0.8
136.04001	0.5
143.03436	3.0
149.04514	0.7
151.07523	0.5
161.02415	0.7
161.04523	1.9
163.03969	1.0
173.04465	0.5
176.01135	0.9
179.03430	0.7
191.03735	0.7
191.05595	2.7
195.06624	1.5
220.56308	0.3
221.06705	0.8
267.06396	0.5
271.20737	1.3
289.21811	52.0
290.22156	5.2
303.23465	0.8
315.19699	9.6
316.20105	1.1
319.22803	0.5
329.23468	0.8
331.19061	0.4
333.20795	100.0
334.21140	11.2
347.22427	1.5
357.20505	0.7
361.94791	0.4
371.59238	0.5
375.21860	6.7
376.21844	0.7
405.22928	0.5
433.18295	0.4
435.24020	0.5
477.24835	1.7
492.71323	0.4
495.26135	13.9
496.26358	2.1
507.27264	0.5
537.27161	28.4
538.27338	5.1
627.49988	0.4
653.28320	1.7
743.33673	0.5
743.48480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	9.1
60.99194	4.0
69.32211	1.6
69.32638	2.1
71.01272	6.5
72.99198	0.9
73.02826	1.4
78.95778	0.5
80.16429	0.3
85.02847	4.3
87.00780	3.9
88.00314	0.6
88.98701	31.4
89.02337	2.0
93.03357	0.9
95.01282	1.2
96.95914	2.6
97.02883	0.5
101.02348	4.0
111.04404	0.5
113.02358	8.4
119.03422	0.6
119.04958	1.7
125.02361	0.4
131.03470	0.6
135.04446	0.8
136.04001	0.5
143.03436	3.0
149.04514	0.7
151.07523	0.5
161.02415	0.7
161.04523	1.9
163.03969	1.0
173.04465	0.5
176.01135	0.9
179.03430	0.7
191.03735	0.7
191.05595	2.7
195.06624	1.5
220.56308	0.3
221.06705	0.8
267.06396	0.5
271.20737	1.3
289.21811	52.0
290.22156	5.2
303.23465	0.8
315.19699	9.6
316.20105	1.1
319.22803	0.5
329.23468	0.8
331.19061	0.4
333.20795	100.0
334.21140	11.2
347.22427	1.5
357.20505	0.7
361.94791	0.4
371.59238	0.5
375.21860	6.7
376.21844	0.7
405.22928	0.5
433.18295	0.4
435.24020	0.5
477.24835	1.7
492.71323	0.4
495.26135	13.9
496.26358	2.1
507.27264	0.5
537.27161	28.4
538.27338	5.1
627.49988	0.4
653.28320	1.7
743.33673	0.5
743.48480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90094	1.3
56.64803	0.9
57.03329	1.6
59.01267	6.7
65.73663	1.3
69.32113	1.0
71.01279	8.9
71.55872	1.3
71.56244	1.1
72.99189	1.9
73.02872	1.2
75.00773	8.4
85.02843	8.4
87.00774	4.0
89.02360	2.4
93.03342	1.5
95.01295	2.6
96.95892	2.1
99.00776	5.6
111.00764	1.4
113.02351	12.5
117.01858	1.4
121.02872	43.9
122.03194	1.2
137.02377	1.2
139.00328	1.2
150.47195	1.2
191.05582	6.0
231.05144	2.7
249.06181	28.7
250.06412	1.8
353.08798	1.1
358.01675	1.0
371.09900	100.0
372.10303	7.6
413.33020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70293	0.2
57.03332	0.5
58.00484	0.6
59.01265	17.8
63.31980	0.2
66.92815	0.2
71.01269	6.3
72.99192	0.7
73.02840	2.9
75.00747	0.2
81.03359	1.7
83.01279	1.5
85.02841	2.8
86.06911	0.2
89.02339	4.0
95.01278	0.7
96.95916	1.2
97.06490	4.6
98.20577	0.4
101.02353	4.9
107.04996	0.2
109.06496	2.7
113.02351	3.5
119.03411	1.5
121.06499	0.2
123.08065	0.8
125.02298	0.3
127.07575	14.5
128.07878	0.4
131.03413	0.3
133.02879	0.6
135.04463	0.3
135.08105	1.3
137.02394	0.2
143.03467	0.3
147.11737	0.5
149.04465	0.4
149.09663	0.2
161.02426	2.2
161.04503	1.3
163.11293	1.5
165.12804	4.4
166.13187	0.2
179.05580	0.9
181.12303	0.6
183.13879	8.0
184.14232	0.3
189.12823	5.6
190.13271	0.2
201.18483	0.2
203.05560	0.4
211.28354	0.2
231.17604	0.7
271.17661	0.4
271.20737	8.2
272.21109	0.9
278.22800	0.2
289.21805	40.6
290.22159	4.4
313.21747	0.6
315.19647	1.6
316.20169	0.3
322.16214	0.2
327.95993	0.3
333.20792	100.0
334.21100	8.8
339.19638	0.4
357.20776	3.5
358.21298	0.4
363.51816	0.3
369.20593	0.2
375.21906	2.2
376.21780	0.3
399.21750	0.3
417.22580	0.4
435.23920	0.4
445.38925	0.2
463.73831	0.3
477.24924	0.4
495.26138	13.7
496.26450	2.3
537.27179	12.3
538.27594	1.9
679.32367	0.3
699.30823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64226	0.6
59.01265	2.2
59.74012	0.7
62.64710	0.7
70.20097	3.5
70.24661	0.8
71.01271	2.6
73.02834	1.1
83.01257	0.9
85.02850	2.7
87.00761	1.4
89.02354	1.3
91.01785	0.9
93.03357	10.1
95.01332	1.0
96.95914	2.5
108.02090	1.6
109.02850	2.4
111.00821	1.3
111.04446	0.9
113.02357	1.3
116.92742	2.5
117.03337	1.2
119.04947	6.0
121.02873	0.9
123.04469	1.4
132.02118	1.2
133.02853	3.6
135.04457	1.9
137.02353	1.2
138.01921	2.1
143.04933	1.4
145.02875	2.3
151.00330	2.2
151.03838	0.9
159.04416	1.4
161.02422	2.5
161.05939	1.0
163.03979	2.4
173.04486	2.2
177.01892	6.6
179.03421	2.2
183.04520	1.4
185.06026	1.2
187.03960	1.5
189.01909	2.1
190.02657	1.5
191.03763	1.7
191.05571	17.3
192.05876	1.3
195.04434	1.2
196.05247	2.1
197.06029	2.7
198.03275	1.3
199.03990	1.1
209.06029	2.1
211.03979	2.7
211.07600	2.9
213.05602	4.8
217.01375	1.6
217.04973	1.0
221.06110	1.1
224.04771	4.0
225.05527	2.1
226.06396	1.4
227.03534	12.4
227.07091	2.0
228.04005	1.1
229.05011	3.8
237.05676	2.4
239.03589	2.6
239.07112	3.5
240.04343	2.1
241.05072	2.4
253.05087	16.5
254.05667	2.1
255.03062	14.0
255.06572	4.0
256.03613	2.1
257.04523	1.2
265.05060	1.6
266.02252	1.8
267.03079	16.1
268.03635	2.7
269.04666	4.4
271.06100	3.0
281.04657	8.0
282.05402	4.6
283.02509	12.2
283.06119	7.6
284.03336	11.4
285.04102	23.2
286.04453	1.6
295.02441	1.8
297.04047	2.5
300.02792	0.9
309.04062	2.9
310.04910	39.2
311.05667	63.4
312.06140	6.5
327.08676	1.2
330.03592	0.9
333.07550	1.2
337.09116	1.1
347.09311	13.6
348.10065	1.0
357.10013	2.1
361.07257	2.0
375.08810	3.0
376.09155	1.6
389.06741	6.3
390.07416	1.5
403.08182	2.2
404.09070	6.8
405.09811	5.3
430.06979	4.4
431.07721	7.1
432.07791	1.4
449.08951	2.7
579.13733	13.9
580.13562	2.2
605.15289	23.7
606.15564	3.4
699.19434	1.5
725.17297	13.0
726.18048	3.0
743.18451	100.0
744.18732	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	742.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	4.1
61.42886	0.4
61.98722	4.8
71.01273	1.9
71.42901	0.4
72.04437	3.7
75.00771	0.5
77.86025	0.4
78.95792	1.5
82.02881	60.6
83.03228	0.8
84.04453	1.1
85.02853	8.0
87.00775	1.5
89.02382	0.5
93.03380	1.1
96.95937	2.3
97.02840	2.5
98.02376	3.1
98.19751	1.0
98.79234	0.4
99.00780	0.5
100.03950	34.8
101.02351	4.2
101.04258	0.9
101.16207	0.4
102.05525	1.0
109.02832	0.6
113.02361	0.9
116.92790	0.7
119.04950	36.9
120.05278	1.7
125.02351	0.5
127.07593	1.2
128.03468	21.4
129.01874	7.1
134.03677	1.2
135.04393	0.9
136.07639	0.6
144.70038	0.5
146.04584	0.9
152.99467	1.1
161.02486	0.6
162.05562	0.7
176.00980	0.6
179.03487	0.9
179.83571	0.5
188.04822	1.0
189.12836	2.4
190.13237	0.6
191.03616	0.8
191.05591	1.8
191.07141	0.8
192.10321	2.1
193.04982	0.8
204.10364	1.4
205.08698	2.1
207.10229	0.7
220.09807	51.2
221.08145	1.6
221.10147	3.5
222.11247	0.4
248.09337	25.3
249.09680	1.9
253.21819	0.5
266.10410	80.3
267.10773	5.7
272.85959	0.4
277.21820	1.6
278.22067	0.5
279.23224	0.7
287.16571	0.4
308.11737	0.7
313.18204	5.1
314.18457	1.3
319.22824	2.8
331.19150	2.1
410.14642	2.1
428.15735	29.2
429.16171	3.6
455.76569	0.5
505.26102	1.5
506.26019	1.3
538.23157	1.4
699.32208	1.2
742.34668	100.0
743.35022	28.8
743.48608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30181	0.2
53.42598	0.2
55.01771	1.8
56.02091	0.2
57.03337	0.3
59.01256	0.6
61.98724	0.4
68.82631	0.2
70.73916	0.6
77.20750	0.2
78.95792	6.5
80.33059	0.2
83.04108	0.2
83.04907	0.6
85.02842	32.8
86.03165	0.4
86.76757	0.2
96.94001	0.2
96.96835	0.7
99.04409	0.3
113.09578	0.2
118.34475	0.2
123.08067	0.2
125.09648	0.5
152.99513	3.9
171.10223	0.5
179.84282	0.2
187.09692	0.5
191.05582	0.4
197.11765	0.3
209.11862	0.2
241.01262	0.2
255.23264	0.4
277.21759	1.2
279.23380	0.5
281.24680	0.2
289.18268	0.2
293.21265	1.0
295.22696	0.2
301.21780	20.6
302.22137	2.3
311.22333	0.4
387.25479	100.0
388.25836	12.6
413.21420	0.3
429.20572	0.3
445.19983	0.4
447.21619	0.5
463.21075	0.3
466.22647	0.2
532.26654	0.2
538.75787	0.2
741.43756	3.0
742.44189	1.0
742.92181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24873	0.6
59.01253	3.9
62.96297	0.8
70.79271	0.9
70.79613	1.4
78.95794	78.2
81.52547	0.7
85.41788	0.6
95.45496	0.7
96.96866	5.7
102.51404	0.6
106.39890	0.6
119.41296	0.7
127.07516	0.6
129.37640	0.6
132.32431	0.6
137.36214	0.7
150.97978	1.4
152.99529	70.9
153.99841	2.0
162.81566	0.6
171.00597	5.8
171.04050	0.6
191.05585	1.1
210.09676	0.6
217.00334	2.9
227.03310	6.0
233.22969	0.9
245.04337	1.6
253.21756	28.5
254.22060	2.0
255.23306	0.9
277.21793	100.0
278.22122	9.4
279.23273	1.5
355.30353	0.8
374.99362	1.8
413.21045	2.2
431.04147	0.7
463.24838	1.2
483.27441	1.0
487.24731	1.2
505.25845	94.3
506.26144	13.0
527.58228	0.7
707.11151	0.8
741.47253	33.1
742.47461	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	741.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07988	0.2
55.01763	0.4
57.03332	0.3
58.00484	0.5
59.01264	5.0
60.84591	0.2
66.64283	0.2
71.01271	4.1
71.01662	0.2
72.99207	0.2
73.02851	1.1
73.71004	0.2
78.05202	0.2
78.84106	0.2
78.95802	0.3
80.02571	0.6
81.03358	0.7
83.01286	0.8
83.04920	3.5
84.02074	0.6
85.02847	1.4
87.00769	1.1
89.02341	3.5
95.01286	0.4
95.04928	0.6
97.02866	0.4
97.06529	0.3
98.20189	1.5
99.00824	0.2
99.04453	0.2
101.02345	4.0
109.06462	0.3
111.04439	0.4
113.02361	2.7
119.03403	0.6
125.02434	0.3
125.06039	0.5
125.09640	1.5
127.07542	0.2
127.11208	2.2
133.04994	0.4
135.08102	0.3
137.09604	0.6
138.28775	0.3
139.11324	0.3
141.02066	0.2
143.03455	0.5
145.04976	0.7
152.99452	0.2
155.10716	0.8
161.04497	1.4
163.11235	2.1
164.11559	0.3
165.09137	0.9
165.12782	1.3
171.10208	2.4
172.10564	0.7
179.05542	0.6
181.12274	0.3
191.05563	0.6
191.10750	0.5
199.09755	0.7
201.11308	36.7
202.11641	1.9
207.10329	0.4
209.11821	78.7
210.12158	5.1
225.11276	1.0
226.11638	0.7
227.12920	9.8
228.13190	1.0
229.80130	0.3
233.22952	0.3
235.08247	7.5
236.08595	0.4
236.49841	0.2
253.09328	14.6
254.09601	0.9
259.20795	0.2
275.20306	0.5
276.94446	0.2
277.21780	100.0
278.22122	11.5
279.22421	0.7
308.61108	0.2
405.17844	0.2
419.19217	0.6
437.20313	1.3
443.31833	0.7
445.20715	1.2
461.32684	0.8
505.25873	0.5
513.30737	1.5
594.32050	0.2
629.48059	0.3
655.77484	0.2
741.32257	0.3
741.45795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92980	0.7
57.03317	1.1
58.00499	0.9
59.01269	28.8
61.98717	4.2
62.66121	0.6
69.03346	1.8
69.49017	4.6
69.49427	1.2
71.01270	23.4
72.99188	1.7
73.02846	3.4
75.00717	0.7
77.57754	0.7
78.95795	37.2
80.43445	0.7
81.03361	1.7
83.01297	2.0
85.02838	5.7
87.00780	6.1
89.02338	21.0
94.58251	0.7
95.01278	1.7
96.96879	2.9
97.02873	5.1
98.19799	1.4
98.33603	0.7
99.00777	1.5
101.02350	19.2
111.04378	0.8
113.02353	9.0
119.03414	5.4
123.52853	0.7
125.02356	7.8
125.09615	1.0
133.04955	0.8
141.65160	0.7
143.03452	3.0
152.99533	18.1
161.04488	5.5
171.10194	2.2
179.05571	3.3
183.13828	0.8
187.09705	1.3
195.13831	1.0
197.11815	2.0
211.13435	2.3
221.06664	1.2
235.08238	11.1
253.09413	1.3
255.23291	1.6
263.07672	1.2
277.21844	3.8
277.26199	0.8
279.23306	1.7
283.26498	66.7
284.26779	7.1
287.07825	3.3
293.21353	5.0
294.21600	1.1
295.22757	4.0
305.08725	3.5
311.22415	1.8
323.10150	0.9
327.21793	1.6
397.13611	100.0
398.13959	9.2
415.14700	28.8
416.15005	2.5
429.20535	3.7
431.22211	2.5
445.20053	2.8
447.21680	3.7
463.21173	2.9
578.37006	0.8
681.40588	5.1
682.41290	0.9
741.43744	21.7
741.56793	1.1
742.44519	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	741.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.5
59.01265	3.9
61.98718	1.0
64.01924	0.3
69.03342	0.4
70.03104	0.4
70.72104	0.9
71.01265	0.9
73.02853	0.6
78.95815	0.6
85.02851	1.5
87.00753	0.8
88.98670	0.8
93.03352	0.7
96.95907	1.9
97.02848	0.7
97.06481	0.4
99.04420	1.7
101.02376	0.5
111.04456	0.4
113.06016	0.5
130.92717	0.4
132.02016	0.5
133.02869	0.4
134.03671	2.6
135.04459	1.0
135.08022	0.9
136.05258	0.5
137.06058	0.7
148.05232	0.4
149.06020	5.7
150.06801	48.4
151.07120	1.9
160.01608	1.3
161.02380	1.7
161.09636	1.1
162.06813	1.2
163.07599	14.0
163.11368	0.5
163.66579	0.4
164.08369	5.8
171.10228	0.8
175.03981	1.7
175.07594	0.6
176.08366	2.6
177.09166	1.3
178.09930	3.4
179.03456	1.0
179.10728	11.3
180.11142	0.5
185.11749	0.5
191.05568	3.6
193.05038	2.3
193.08728	0.8
197.11749	0.8
209.08197	1.0
209.11794	0.5
224.90300	0.4
265.25351	0.9
267.23373	2.0
269.21170	0.6
293.25021	0.6
299.02118	0.5
307.19260	0.7
309.20868	0.8
311.26074	1.1
312.12198	0.4
313.23953	6.8
367.18796	0.4
414.31348	1.0
429.34042	1.1
430.34634	0.7
431.25049	0.4
431.35272	1.1
432.32468	9.2
433.32962	1.8
446.34286	2.6
447.34848	11.6
448.35110	2.1
456.32718	0.6
460.31915	0.5
474.33542	4.5
475.34262	3.6
476.34991	0.7
492.34570	4.3
493.35458	26.5
494.35721	4.8
511.71057	0.4
637.39777	1.1
655.40613	2.0
697.41815	100.0
698.42151	20.6
741.39221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93618	0.1
62.96297	0.2
70.16850	0.5
71.01265	0.2
73.99072	0.1
75.36629	0.1
78.95796	67.9
84.69148	0.1
85.02860	0.1
93.03364	0.2
95.96089	0.2
96.96866	52.7
97.97415	0.1
98.20468	0.2
101.02341	0.2
116.92794	0.2
119.05013	0.2
123.02219	0.1
125.98505	0.1
136.24173	0.1
138.53313	0.1
173.04607	0.1
175.03954	0.1
191.05615	0.3
233.09500	100.0
234.09845	5.7
507.27936	0.3
741.38947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44818	2.0
59.01257	9.8
61.14459	1.6
61.98732	9.7
64.09496	1.6
65.69529	1.7
67.50095	1.7
67.52057	2.1
71.01268	8.7
71.58920	1.8
71.59308	3.0
73.02821	2.2
78.95790	2.7
83.67885	1.7
85.02849	6.8
87.00772	2.0
87.92213	1.5
88.98694	1.8
89.02348	5.0
92.54266	1.7
93.03406	2.7
95.01321	2.1
96.95927	7.5
97.02850	3.9
101.02369	2.7
113.02374	6.8
133.02885	3.0
134.03653	2.1
135.04469	5.1
148.81554	1.9
152.99489	2.8
161.02385	6.6
167.03444	3.8
173.04556	4.7
179.03482	2.8
191.05621	13.0
209.11826	100.0
210.12268	4.4
227.12930	24.7
253.09291	3.3
277.21844	5.9
283.02591	1.8
331.19214	6.0
409.28668	2.1
439.31857	3.4
445.20831	13.4
505.26056	3.9
673.35205	2.7
741.34943	38.7
742.35364	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	741.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63412	5.2
59.01268	43.2
59.62114	4.7
61.98706	17.5
69.96718	15.7
69.97127	8.3
71.01270	31.2
78.95790	40.0
85.02843	17.1
87.00802	5.5
88.98678	9.8
89.02342	20.7
93.03383	9.7
93.65060	5.5
96.95910	20.4
97.02822	13.8
101.02356	14.8
104.83530	5.0
113.02348	20.1
113.53422	4.9
119.03423	7.5
119.04972	5.7
125.02346	10.4
128.70180	4.6
131.03418	5.0
134.03667	5.5
135.04503	7.1
143.03401	6.8
151.07544	7.2
152.99532	23.5
161.02376	8.9
165.60646	5.0
171.00626	6.1
179.05554	15.0
181.05011	5.3
182.05838	5.8
189.12799	8.8
191.05589	23.9
195.06625	24.4
196.07265	6.5
197.08218	10.9
205.08716	10.6
207.10045	5.0
209.11829	5.6
227.03329	6.7
253.21786	15.2
277.21826	36.0
313.18195	57.1
314.18430	10.2
331.19232	83.4
332.19492	5.5
439.32153	9.8
505.25824	59.0
506.26367	5.3
529.22205	9.0
579.31171	8.6
697.31183	6.6
721.09418	5.8
741.32928	100.0
741.46875	20.6
741.82428	6.8
742.33319	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	741.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.5
58.31699	0.8
59.01264	25.5
60.47532	0.7
69.03355	1.4
71.01268	19.3
71.57384	1.7
72.58085	0.8
72.87724	0.7
72.99195	4.3
73.02837	3.9
75.00358	1.6
75.00766	23.0
78.95807	2.0
81.03349	2.2
83.01278	3.3
84.21490	0.8
85.02843	23.0
86.00000	0.9
87.00766	6.5
89.02317	2.3
95.01285	2.6
96.95906	2.5
97.02833	4.3
99.00770	8.9
99.04506	0.9
100.84932	0.9
101.02338	5.0
109.02867	1.0
111.00779	1.3
113.02361	21.4
115.00269	2.3
117.01826	2.3
119.03436	0.9
125.02357	2.7
129.01859	1.0
131.73972	0.8
133.02873	1.3
146.05472	0.9
151.07584	5.7
151.08598	0.9
161.02368	2.0
175.02423	3.2
179.03401	1.1
187.94466	0.9
191.05563	2.5
195.06601	22.1
196.07002	1.3
270.46741	0.9
287.19730	1.1
313.18344	1.8
317.21338	1.6
331.19135	3.4
333.20758	1.6
347.18643	1.6
351.83954	0.9
357.11884	1.5
385.82590	0.9
453.68225	1.0
488.82181	0.9
493.19272	2.3
697.30908	100.0
698.31250	23.1
705.31427	3.0
740.84210	1.8
741.33911	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	741.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	3.7
61.98717	0.9
62.68927	0.2
65.11636	0.2
69.31335	1.9
69.31744	0.4
71.01276	1.1
73.02871	0.5
74.67313	0.2
75.56231	0.2
78.95812	0.3
80.26439	0.2
81.03363	0.2
81.29516	0.2
81.54447	0.2
85.02850	0.8
89.03840	0.3
93.03370	0.6
96.95918	0.5
97.02847	1.8
98.20588	0.5
101.02336	0.4
105.03361	0.5
107.04938	0.5
109.02893	1.2
111.04376	0.3
113.02380	0.4
117.03459	0.5
121.02866	0.4
123.04449	0.4
125.02370	0.3
127.07577	0.7
131.04982	0.2
132.02092	1.8
133.02881	29.2
134.03731	2.7
135.04449	45.1
136.04816	2.2
137.02400	1.0
147.04456	0.5
148.05260	0.3
149.06053	1.0
150.06755	1.4
155.03409	0.3
159.04468	0.9
161.02388	100.0
162.02733	4.6
163.07582	0.8
173.04553	0.4
175.03960	1.6
177.05531	2.2
178.02748	0.5
179.03458	35.2
179.10596	0.4
180.03789	1.9
189.05533	0.4
189.12874	1.1
191.05608	4.2
191.07106	0.3
192.05910	0.5
195.06638	0.4
203.03488	7.6
204.03822	0.3
205.08658	0.8
207.10323	0.3
221.04544	1.5
233.04498	0.6
251.05785	0.3
269.19211	0.3
305.06738	0.7
313.18103	2.5
323.07785	5.5
331.19266	1.6
335.28699	0.3
348.09845	0.3
353.08853	1.8
354.09250	0.5
365.08829	69.1
366.09186	6.3
383.09921	9.9
384.10266	1.1
432.32367	0.3
447.34753	0.5
474.33188	0.3
493.35382	1.1
530.72217	0.3
610.53021	0.3
637.42426	0.3
655.28033	1.3
656.27942	0.3
697.29047	22.1
697.41644	4.0
698.29352	5.7
698.41235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24199	0.1
59.01265	2.3
61.98697	0.3
71.01276	1.5
71.59589	0.2
73.02849	0.7
77.03841	0.2
78.95796	0.2
81.03371	0.1
83.01267	0.3
85.02840	0.6
88.63352	0.2
89.02351	0.5
89.03880	0.2
95.04935	0.2
96.95927	1.1
101.02345	0.9
104.02637	0.2
105.03372	0.4
107.04980	0.3
109.02857	0.3
113.02364	0.6
115.01778	0.2
117.03387	0.8
121.02864	0.2
123.04452	0.3
131.03500	0.2
132.02083	2.3
133.02882	39.6
134.03581	1.4
135.04448	15.3
136.04790	0.6
137.02397	0.6
139.03931	0.3
148.05284	0.2
149.06023	0.2
152.99471	0.2
159.04489	0.5
161.02390	100.0
162.02721	4.8
175.04065	0.2
177.05531	0.6
179.03462	9.1
180.03874	0.3
182.67307	0.1
191.05492	0.3
195.06555	0.4
203.03549	1.0
221.04509	0.3
279.23300	0.2
323.07657	0.3
331.19278	0.6
383.09860	0.6
385.78253	0.2
581.89178	0.2
653.30035	0.4
655.27789	1.6
656.28064	0.5
675.29559	0.2
697.28790	55.0
698.29114	10.7
740.82166	0.2
741.32666	1.0
741.82916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34231	0.2
59.01266	4.6
71.01273	2.5
71.27321	0.4
72.99191	0.6
73.02847	0.8
75.00762	0.5
78.95817	0.4
83.01285	0.5
85.02839	1.4
87.00764	0.6
89.02328	1.6
89.03863	0.4
93.03325	0.4
95.01295	0.4
96.95916	0.8
97.02865	0.2
97.95725	0.2
98.95469	0.2
99.00775	0.7
101.02333	0.8
105.03378	0.6
107.04942	0.5
109.02906	0.4
113.02368	1.4
115.01768	0.4
117.03387	0.5
117.81504	0.3
123.04429	0.3
132.02104	2.9
133.02882	39.9
134.03310	1.4
135.04443	15.4
136.04791	0.7
137.02322	0.4
155.43991	0.2
159.04443	0.4
160.01591	0.4
161.02390	100.0
162.02751	4.4
179.03462	9.0
180.03767	0.6
191.05634	1.3
191.07053	0.4
203.03465	0.6
227.00308	0.2
299.02133	0.8
300.76254	0.3
313.18204	0.4
331.19104	0.4
391.35464	0.3
439.32324	0.8
529.24847	0.5
579.19843	0.4
655.27521	1.1
675.30664	1.0
697.28845	52.7
698.29132	9.4
698.41113	0.4
712.32416	1.1
741.34290	0.5
741.82782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.0
59.01259	3.0
63.02280	0.9
65.00198	1.8
69.27937	7.4
69.28352	1.9
71.01259	2.5
78.95746	1.0
79.95635	3.0
81.03347	3.4
83.01257	1.0
85.02847	1.1
89.02362	0.9
93.03365	2.1
95.95150	1.1
96.95911	45.2
97.02813	1.1
107.01292	2.9
107.04919	0.9
109.02874	1.5
109.06488	1.3
111.04415	3.7
113.02287	0.8
113.09584	0.8
119.04922	1.7
121.02877	1.5
122.03694	1.2
125.02367	8.9
133.02882	6.9
134.03636	2.2
135.04446	29.3
136.04787	1.8
137.02367	1.4
138.96988	0.9
145.02885	1.3
148.01549	1.0
149.02406	2.4
151.00320	9.8
151.07591	29.0
152.07939	1.7
159.10205	14.7
161.02374	23.5
161.77602	0.9
162.02805	1.0
163.00276	2.5
163.03931	1.5
167.03418	2.5
167.06944	1.0
169.01385	1.1
173.04524	1.1
178.99895	4.0
179.03448	18.2
180.03783	1.4
187.03951	2.0
191.05553	3.5
191.07124	1.7
195.06604	100.0
196.06889	5.5
201.05540	1.4
207.06522	0.9
209.08177	2.5
211.03940	1.4
213.05556	1.2
219.06618	15.9
220.07025	0.9
221.04662	2.3
224.08054	0.8
227.03542	8.7
229.05013	4.1
237.07680	10.5
239.05969	17.2
240.06436	1.1
243.03001	4.4
245.57938	0.9
249.07686	2.8
251.05713	1.2
255.03041	24.1
256.03503	3.5
257.04550	2.6
259.01474	0.9
270.99753	1.7
271.02548	24.5
272.02988	3.1
281.07007	1.4
283.02463	1.1
284.00717	0.6
284.03302	19.8
285.04089	47.6
286.04465	5.1
299.02005	1.6
300.02805	41.7
301.03549	23.6
302.03891	2.5
311.08051	6.3
353.08875	5.5
353.12503	1.0
357.11951	12.2
358.12369	1.6
383.05276	1.5
383.10229	23.2
384.10431	2.3
455.12057	28.9
456.12027	4.3
499.21866	1.0
519.20081	1.1
577.12134	3.4
579.13336	20.2
580.13959	3.8
595.03998	1.8
595.13190	27.5
596.13654	4.9
741.22516	56.8
742.22430	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	741.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.5
55.31901	0.5
59.01259	1.0
68.03048	0.5
68.99747	0.6
69.73163	1.8
69.73577	1.6
71.01273	2.0
76.98296	0.5
89.03855	1.1
93.03361	17.9
96.99216	3.7
113.02342	0.7
117.03372	5.8
119.04946	12.3
121.02899	0.6
123.04413	1.5
130.04126	0.9
131.04979	3.4
133.02892	4.4
133.05029	0.6
134.03670	54.8
135.03976	2.1
137.02365	2.0
143.04964	13.8
144.05267	0.6
145.02892	3.5
145.06519	0.9
147.04524	0.7
148.05209	0.9
149.06027	8.0
159.04446	1.1
160.01614	7.4
161.02310	0.6
163.03958	8.6
164.04388	0.7
171.04474	2.2
175.03961	17.2
176.04344	1.6
178.02614	1.1
191.05595	2.3
193.05040	100.0
194.05397	4.0
201.97969	0.5
202.06361	0.9
211.07639	5.4
219.08191	0.5
221.09685	1.2
223.07759	1.1
235.07726	2.8
237.09253	5.2
239.10828	0.7
247.07674	0.6
255.03027	0.8
265.08752	16.5
266.09097	1.2
271.02521	1.2
283.10013	0.6
294.07495	0.7
299.02130	0.6
300.02841	1.8
301.03677	0.6
309.10052	35.7
310.10406	3.0
315.05176	2.1
327.08813	75.5
328.09201	7.7
369.12039	3.8
377.19641	0.6
431.11890	0.6
609.14777	4.4
617.04498	0.5
659.15991	0.6
741.27844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86765	0.1
59.01267	0.9
61.45520	0.1
61.98720	100.0
62.98428	0.3
71.01273	0.2
78.95798	10.0
80.96244	0.1
81.03367	0.3
83.04935	0.5
85.02861	0.2
87.00758	0.1
93.03373	0.3
96.96869	8.0
98.19811	0.2
98.97338	0.2
101.02314	0.2
111.04402	0.1
113.02368	0.2
115.95467	0.1
119.04967	0.2
123.57825	0.1
125.08441	0.1
135.04396	0.2
137.02446	0.1
171.11987	0.1
173.04501	0.2
175.44240	0.1
188.94838	0.1
191.05582	1.1
192.05977	0.1
193.04849	0.2
207.04265	0.3
225.16127	0.3
226.16454	0.2
233.09506	13.4
234.09831	5.4
235.09970	0.3
262.41815	0.1
265.08499	0.3
274.08630	0.2
322.02673	0.2
404.54913	0.1
452.32721	0.2
453.33603	0.2
482.57779	0.1
527.30597	0.1
678.50677	0.6
679.50262	1.1
680.50745	4.5
681.50525	0.3
740.49426	2.3
741.49506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27064	0.4
59.01021	0.5
59.01270	4.6
61.98415	0.4
61.98703	2.1
68.84597	0.4
69.03340	0.6
71.01283	1.0
71.57440	0.4
71.57822	0.7
71.58190	0.6
77.03844	2.4
78.95802	0.8
83.04920	1.3
85.02872	0.6
89.02336	0.9
93.03374	1.0
101.02370	0.8
110.25539	0.4
113.02341	0.8
121.02876	100.0
121.10139	1.0
122.03230	4.1
152.99580	0.9
161.04582	0.6
161.74774	0.5
163.11253	0.6
164.11569	0.5
165.01892	74.1
166.02223	2.9
168.75789	0.4
168.99014	0.4
169.10352	0.4
171.10252	3.0
172.10547	1.2
180.05882	0.6
181.06586	3.2
191.03458	1.5
191.05571	1.5
195.13875	0.6
205.15779	0.4
209.11812	24.5
210.12164	10.6
211.12506	0.7
213.11118	0.6
224.13844	0.6
224.84293	0.5
225.05592	1.4
227.12946	2.9
228.13164	1.0
235.08322	0.7
238.57912	0.4
253.09302	2.8
253.21834	0.5
254.09648	1.4
275.20224	4.3
276.20584	3.9
277.21872	2.8
293.21283	10.0
294.21646	9.0
295.21954	0.9
295.33380	0.5
297.46207	0.5
313.07346	1.3
319.22870	0.8
331.22653	0.4
357.06235	12.2
357.10480	0.9
358.06586	0.9
446.21860	0.5
505.25760	2.7
549.10236	0.7
724.95441	0.5
741.14807	7.2
741.47394	0.7
742.15015	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	2.0
61.98722	100.0
62.98444	0.2
69.49365	0.4
69.49778	0.7
71.01279	0.7
78.95835	0.2
85.02882	0.2
87.00793	0.3
89.02379	0.3
90.24352	0.1
93.70348	0.1
98.19820	0.2
101.02377	0.5
109.33937	0.1
113.02344	0.2
117.03435	0.2
119.12017	0.1
120.82718	0.1
133.02892	0.1
145.02905	0.2
161.04620	0.2
174.99332	0.1
187.07816	0.1
191.05585	0.7
209.11967	0.3
211.13504	0.2
235.08398	0.2
253.09401	0.2
277.21713	0.8
279.23315	0.7
280.23694	1.0
281.24045	0.6
282.24597	0.1
293.21353	0.2
305.17297	0.1
330.50049	0.1
397.13675	0.5
398.14063	0.5
399.14111	0.8
400.14523	0.5
416.14999	0.2
417.15109	0.2
418.15891	0.2
505.25735	0.5
577.26965	0.3
718.30713	0.5
718.80896	0.2
719.31281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	8.7
61.98713	3.7
69.03342	0.7
70.36163	1.6
71.01270	3.9
73.02817	0.7
73.46591	0.4
80.02557	0.7
81.03365	0.8
83.04919	3.7
84.02056	0.6
85.02845	1.6
87.00781	0.7
89.02325	2.2
93.03368	1.2
95.04900	0.8
97.02904	0.5
101.02354	3.1
109.06509	0.6
113.02362	1.8
119.03432	0.6
121.10139	0.9
125.09572	0.6
133.02844	0.5
161.04520	1.4
163.11252	2.8
165.12785	1.7
171.10197	5.4
173.04733	0.5
181.12335	0.6
183.13901	1.5
191.05611	2.2
191.10754	0.9
195.13861	4.3
209.11823	100.0
210.12193	6.1
211.13440	1.2
223.13477	2.9
227.12877	12.5
228.13312	0.9
231.21204	0.6
235.08234	2.7
235.17099	3.0
253.09322	14.8
275.20218	16.3
276.20554	1.3
277.21826	0.9
279.23349	1.3
293.21298	65.4
294.21597	7.2
303.34128	0.5
319.22818	4.4
320.23178	2.4
321.23291	0.6
336.15710	0.5
409.87292	0.5
445.20724	0.8
511.29431	0.6
529.30634	0.7
551.90338	0.5
632.31946	0.6
660.75189	0.5
739.42072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33618	0.4
55.01776	1.0
57.03338	0.9
58.00486	0.8
59.01265	9.9
66.00315	0.4
69.03347	0.7
71.01273	11.1
71.04912	2.2
71.58926	0.6
72.99210	0.7
73.02827	2.4
78.95795	1.1
83.01287	1.0
83.04930	1.1
84.95207	0.4
85.02857	2.1
87.00793	2.0
89.02344	4.2
92.14565	0.5
92.84235	0.4
95.01295	0.8
95.04924	0.9
97.02841	4.6
97.06502	1.5
99.00785	14.0
101.02359	7.4
103.69662	0.5
109.06515	2.1
110.03678	0.8
113.02339	3.6
119.03442	1.2
123.08057	1.4
125.02337	0.7
125.09660	5.5
127.11197	1.5
135.04428	0.5
135.08055	0.7
136.05295	0.5
142.02626	1.2
143.03464	0.5
145.05098	0.5
145.10223	0.5
151.11212	1.0
152.99554	0.5
153.12877	0.6
154.95184	0.5
161.02394	0.5
161.04510	2.5
163.11237	8.6
171.10226	22.7
172.10580	0.9
179.10806	1.2
181.12309	17.0
182.12679	1.1
186.12140	0.5
189.09181	1.1
191.05536	0.8
197.11850	3.3
199.09741	0.7
199.13379	21.1
200.13705	1.4
201.11292	3.5
207.10271	39.9
208.10458	2.4
211.13556	0.5
213.11313	0.6
222.01083	0.5
225.11340	76.7
226.11665	5.1
235.08295	4.0
243.12434	14.0
244.12793	1.1
247.11201	0.6
253.09360	9.3
277.21796	88.9
278.22162	9.7
279.22882	0.9
443.19223	2.5
461.20493	10.7
462.20441	0.8
479.21222	2.2
500.71667	0.5
513.30469	0.8
721.41785	7.5
722.41913	1.1
739.42877	100.0
740.43256	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
57.03338	1.1
58.00474	0.5
59.01269	7.0
69.03346	0.6
70.87321	1.1
71.01266	7.5
71.04922	2.9
72.99210	0.5
73.02832	1.9
78.95786	0.6
82.94580	0.4
83.01263	1.0
83.04916	1.1
85.02844	1.7
87.00764	1.9
89.02338	2.5
92.99500	0.4
95.01273	0.8
97.02849	2.8
97.06483	2.6
99.00778	13.7
101.02338	4.5
106.64360	0.5
109.06482	1.6
110.03611	0.8
111.00804	0.4
113.02396	2.3
119.03419	0.8
123.07273	0.4
123.08086	1.5
125.09649	6.2
127.11229	0.8
135.08046	0.8
142.02666	1.1
143.03410	0.5
145.04982	0.7
145.10173	0.5
150.79437	0.4
150.94713	0.4
151.11310	0.5
153.12808	0.6
161.04492	1.2
161.09729	0.5
163.11232	8.6
163.12511	0.7
164.11603	0.5
171.10211	7.5
179.05647	0.4
179.10573	0.5
181.12311	12.8
181.13907	0.7
182.12659	0.6
191.05603	0.5
197.11816	1.0
199.09711	0.5
199.13377	12.8
200.13705	0.5
201.11290	1.7
205.08842	0.4
207.10245	29.3
208.10646	1.8
209.29045	0.4
225.11325	46.5
226.11575	2.9
235.08238	3.0
243.12405	7.1
253.09290	3.7
259.20679	0.5
275.20264	0.5
277.21780	82.6
278.22110	8.5
279.22903	0.6
330.02817	0.5
359.52316	0.4
378.61185	0.4
443.19061	1.6
461.20404	5.7
462.20667	0.7
479.21399	1.3
721.41858	6.2
722.41797	1.2
739.42896	100.0
740.43237	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	1.0
60.66579	0.1
61.98419	0.2
61.98720	3.4
62.96289	0.2
69.82981	0.8
71.01287	0.3
78.95797	55.2
79.13227	0.1
80.96212	0.2
81.03344	0.3
83.04918	0.6
85.02830	0.1
89.02322	0.1
90.63204	0.1
90.75962	0.1
93.03349	0.5
96.96868	45.4
113.02319	0.1
119.04933	0.2
161.25253	0.1
173.04532	0.5
191.05595	0.9
193.05009	0.1
225.16017	0.2
233.09517	100.0
234.09845	6.0
235.10040	0.4
349.36890	0.1
373.22061	0.1
452.33340	0.2
453.33798	0.2
505.26584	1.0
677.50031	0.3
678.50256	3.4
679.50580	2.4
695.29382	0.4
739.37555	0.8
740.37616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21611	1.1
58.00473	2.1
59.01265	31.3
65.71465	1.0
69.03339	1.7
71.00896	2.1
71.01270	29.2
71.60063	1.9
72.99181	2.8
73.02829	4.4
78.95786	3.0
83.01276	3.4
83.88833	1.2
85.02848	4.4
87.00780	5.2
88.03876	0.9
89.02341	22.6
95.01305	2.7
97.02860	5.1
99.00755	1.5
101.02345	24.8
101.18943	1.0
104.15480	1.1
113.02360	10.9
119.03397	7.2
125.02380	7.7
133.02858	1.9
135.04462	1.3
139.03848	1.3
143.03421	4.0
152.99565	2.5
161.02379	3.3
161.04515	4.2
171.10217	7.7
179.03438	1.3
179.05585	4.6
207.10237	1.6
221.06729	1.5
225.11296	2.4
229.52496	1.1
235.08284	10.6
253.09320	3.7
277.21844	14.0
278.22116	1.3
279.23279	7.0
280.23602	3.2
281.24915	77.4
282.25235	8.5
287.07672	3.1
305.08798	3.0
350.82535	1.2
397.13577	100.0
398.13763	7.1
415.14670	31.8
416.14856	2.5
528.18427	1.3
626.20313	1.1
679.38861	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	739.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.1
59.01262	0.9
62.96291	0.3
71.01279	0.5
73.02827	0.1
78.95797	51.9
80.05814	0.1
83.04915	0.2
85.02850	0.6
87.00752	0.2
93.03358	0.6
96.96867	45.2
99.00764	0.1
101.02361	0.3
111.04421	0.2
114.97782	0.1
117.03357	0.1
119.04956	0.3
135.04485	0.2
145.02853	0.2
155.03423	0.1
163.03993	0.3
173.04520	0.5
173.05931	0.1
175.73021	0.1
191.05620	1.8
192.06093	0.1
233.09511	100.0
234.09854	6.0
234.12227	0.3
243.05258	0.2
323.97977	0.1
497.11435	0.1
505.26682	0.5
521.24493	0.1
695.28802	0.2
739.37195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	6.8
58.56540	4.8
58.95963	4.4
59.01263	69.2
59.88390	4.3
61.98719	100.0
62.76186	4.9
69.30356	51.4
71.01266	25.8
73.02828	6.0
78.95830	7.4
83.01285	4.6
83.04902	7.5
85.02848	31.0
87.00791	9.3
88.98722	12.7
89.02341	13.7
93.03372	14.3
95.01414	4.5
96.95901	25.5
98.19833	11.7
99.04412	8.0
101.02390	10.3
108.18910	5.2
109.06490	12.3
110.81462	4.6
111.04465	6.4
113.02332	27.4
119.05054	5.2
125.02350	10.5
131.03378	6.5
133.02879	13.6
134.03685	19.6
135.04436	10.7
137.02376	9.9
141.17480	4.6
151.07620	6.2
155.03436	6.9
160.01566	5.5
161.02507	7.0
161.04512	6.2
162.03224	8.2
163.03987	6.1
163.11240	10.7
173.04533	23.8
178.02658	8.2
187.07675	12.9
191.05588	51.1
193.05025	10.1
195.06639	13.8
202.06273	8.2
207.10306	39.6
208.10646	5.3
209.11839	80.6
215.07257	6.6
225.11311	27.1
227.12874	20.0
231.10260	17.8
235.08290	6.3
253.09244	6.9
275.09393	27.7
331.19305	11.1
378.10410	5.2
417.23090	5.2
443.19153	9.0
445.21106	6.9
449.14413	19.2
450.08078	5.8
450.14740	5.4
461.20117	9.9
593.99500	5.6
635.31165	33.0
635.40479	9.4
636.31299	11.5
653.31897	39.7
654.32288	7.8
660.83929	5.5
671.32983	53.6
672.33392	10.8
688.31964	5.9
739.32922	45.9
740.33832	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	739.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78307	5.7
56.49714	5.3
59.01263	56.1
61.98718	11.2
63.72303	5.6
71.01280	19.4
71.04904	7.8
72.38344	5.1
78.95817	6.7
85.02870	17.0
87.00776	9.0
93.03372	13.4
96.95930	14.2
101.02354	9.8
117.95583	6.1
118.31689	5.8
119.04961	9.7
123.08064	13.2
128.03526	6.6
128.76671	6.5
134.03696	8.1
147.04497	10.8
156.16341	5.8
163.04030	7.0
168.85803	5.8
171.10242	7.1
173.04590	7.7
177.01909	13.9
181.05092	21.1
182.05774	12.4
191.05620	55.4
191.07147	10.3
193.05022	8.6
195.06607	15.5
196.07347	13.4
197.08200	16.8
205.08694	12.9
209.11897	19.9
210.06821	13.1
211.09785	21.8
225.09251	15.5
229.74565	6.5
264.89929	5.8
329.17639	95.3
330.17950	9.8
331.19226	6.7
347.18909	30.6
507.12918	10.1
527.20978	11.7
567.15247	10.3
679.25244	5.9
739.31256	100.0
740.31909	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10154	1.7
57.03337	2.3
59.01271	17.3
61.98709	6.8
67.01785	3.3
69.38550	12.8
69.38969	5.6
71.01277	11.6
72.59237	2.1
73.02827	2.6
75.00732	2.1
75.54401	2.2
78.95798	3.5
80.96423	2.2
81.03371	1.9
85.02855	7.1
87.00780	4.5
88.98727	2.8
89.02390	2.9
93.03361	19.3
96.95919	8.8
98.95567	2.1
101.02354	4.1
109.02849	2.2
111.04410	3.0
113.02339	3.0
113.14590	2.0
117.03394	2.0
119.04923	6.2
121.02882	3.2
133.02879	3.0
134.03685	7.2
135.04440	4.8
137.02348	5.3
145.02838	3.7
149.06041	2.0
151.03981	5.2
155.03456	2.0
160.01639	2.2
161.02377	21.7
163.03992	3.6
173.04532	12.1
176.04773	11.9
177.01958	2.7
178.02638	3.5
179.03462	30.7
180.04185	8.2
187.07573	3.5
191.05594	36.4
191.07159	7.6
193.05034	5.7
194.05843	39.6
195.06601	18.9
197.04524	8.9
205.08640	2.6
206.59550	2.0
209.08205	100.0
210.08531	4.9
211.07675	3.0
231.10248	2.9
255.02991	2.4
275.09427	3.2
277.07986	2.0
283.02603	6.0
285.03879	3.6
321.31323	1.9
331.19220	36.2
332.19611	4.5
341.23514	5.7
367.41791	2.1
397.11777	1.8
449.14999	3.0
521.24152	2.6
529.22162	6.2
530.22510	2.1
649.26135	2.6
695.29584	7.9
739.30927	29.1
740.31720	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	739.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.7
61.98730	0.2
70.94395	0.4
71.01272	2.8
72.99190	0.1
73.02849	0.8
83.30569	0.1
85.02853	0.6
87.00771	0.2
89.02338	3.9
89.03874	0.4
91.05413	0.3
93.03378	0.2
95.04916	0.1
96.95918	0.5
99.00776	1.8
101.02344	1.5
105.03385	0.4
107.04924	1.1
113.02355	0.6
115.01794	0.2
117.03384	1.3
119.03389	0.2
121.02877	0.2
123.04436	0.3
125.02409	0.3
131.03416	0.5
132.02089	1.7
133.02881	35.2
134.03732	3.6
135.04445	53.4
136.04776	1.9
137.02357	0.3
147.04453	0.2
149.04482	0.8
149.05914	0.2
161.02386	100.0
162.02725	4.5
163.03989	0.3
173.04558	0.2
175.03949	0.7
179.03456	31.1
180.03804	1.3
191.05583	1.1
193.05028	0.4
195.06686	0.2
279.23264	0.3
331.19147	0.3
339.05206	0.2
405.24561	0.2
447.25931	0.2
559.18445	1.1
577.19354	43.8
578.19672	5.8
603.17102	0.4
695.23157	0.3
739.22546	32.5
740.22882	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	739.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19150	4.7
59.01260	16.1
61.98707	7.0
69.25529	12.7
69.25938	33.3
71.01266	5.9
75.36745	4.3
78.57968	3.8
78.95789	4.7
87.23569	4.0
96.95937	7.3
133.02884	22.0
135.04506	19.8
161.02406	71.7
176.04735	9.5
179.03467	45.6
180.04128	7.9
191.05647	9.1
191.07144	4.5
194.05827	38.0
195.06564	17.4
209.08183	100.0
210.08609	7.3
279.23337	8.1
298.41727	4.2
331.19235	27.9
332.19431	4.7
529.22089	21.4
533.29669	12.8
546.29224	4.0
577.19818	8.7
668.32660	5.9
695.32770	5.5
739.31293	58.2
740.31744	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	739.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.2
59.01266	9.4
60.99158	1.6
67.01770	5.2
69.03341	2.3
70.79700	2.9
70.80080	2.7
71.01262	11.0
72.99208	2.2
73.02850	1.6
74.31591	1.5
75.00781	8.4
81.03342	1.8
85.02837	17.9
87.00774	9.8
89.02341	2.4
93.03355	29.6
95.01268	3.0
96.95920	3.2
99.00771	4.5
106.12659	1.3
111.04428	3.6
113.02356	11.5
117.01827	2.3
121.02872	46.7
122.03204	1.6
127.03934	2.2
134.03665	8.5
136.56764	1.6
171.02805	1.5
173.04530	14.7
191.05582	100.0
192.05867	5.5
193.05046	5.8
231.05005	3.3
249.06186	29.4
367.10413	28.2
371.09912	89.8
372.10352	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	738.5098
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
59.01267	6.1
61.98684	1.5
62.75687	1.0
71.56519	1.8
75.17552	1.0
78.95792	19.4
96.96822	1.1
152.99535	13.1
154.67638	1.0
174.99147	2.4
192.95790	1.3
208.92992	1.2
217.00227	3.5
277.21768	2.4
279.23349	100.0
280.23749	11.0
281.24185	1.2
334.53726	1.1
350.95389	1.3
374.99280	1.5
734.39252	1.2
738.50861	43.4
739.51587	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	739.1903
Annotation	Kaempferol 3-(4''-(Z)-p-coumarylrobinobioside)
Peak:m/z	Relative Intensity
59.01262	2.0
63.02294	0.9
65.00213	1.0
67.01765	0.5
68.35984	0.4
71.58338	0.4
73.02835	0.6
78.95782	0.4
83.01275	0.6
85.02851	1.1
87.00781	1.1
89.02343	0.5
93.03349	5.7
96.95945	0.5
101.02320	0.7
107.01284	2.9
109.02842	0.7
111.04453	0.8
114.77377	0.3
117.03375	6.8
119.04948	4.2
121.02872	0.5
125.02312	0.7
132.02141	0.9
133.10246	0.3
135.00803	1.4
135.04465	0.5
137.02376	0.6
143.04961	0.9
145.02887	19.6
146.03233	1.1
147.08133	2.2
151.00302	4.9
157.06410	0.5
159.04480	1.1
163.00294	2.5
163.03955	2.4
164.01076	0.4
167.04971	0.4
169.01457	0.5
169.06526	1.0
171.04443	1.2
173.04530	2.6
173.05879	0.6
183.04427	0.8
185.06087	1.9
187.03969	3.1
189.05475	1.0
191.05577	2.8
195.04550	0.7
197.06065	0.6
199.03925	1.2
201.05568	0.7
205.05019	0.5
205.14728	0.4
211.03998	2.7
212.04681	1.1
213.05539	2.2
215.03554	0.6
227.03503	29.8
228.03836	1.8
229.02846	0.6
229.05075	10.9
229.07297	0.7
230.05464	0.7
239.03464	1.8
240.04181	0.7
241.05077	1.6
255.03030	54.3
256.03583	8.0
257.04587	8.4
267.03049	0.7
283.02478	1.4
284.03323	64.0
285.04086	100.0
286.04462	8.0
327.05228	1.0
453.14191	4.5
454.14297	0.8
521.23981	2.4
575.13971	0.9
593.15228	38.2
594.15491	6.0
695.29224	4.5
696.29199	0.7
739.18982	49.0
740.19305	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	738.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17574	0.0
59.01268	0.7
60.01606	0.1
60.40189	0.0
61.98718	100.0
62.05785	0.1
62.98421	0.2
65.07436	0.1
67.14310	0.0
70.33095	0.1
71.01273	0.7
72.01609	0.1
73.02831	0.1
83.01315	0.1
85.02857	0.2
87.00816	0.1
88.01138	0.1
89.02342	0.5
90.02728	0.1
97.02881	0.1
100.30527	0.0
101.02369	0.4
113.02364	0.3
114.02739	0.1
119.03442	0.1
125.02409	0.2
130.51213	0.1
143.03464	0.1
161.04533	0.1
189.70924	0.0
209.11885	0.1
219.11588	0.1
225.11255	0.1
235.08325	0.2
236.08673	0.1
237.08856	0.1
277.21817	0.8
278.22141	0.9
279.22375	0.4
280.22882	0.1
397.13608	0.5
398.13940	0.7
399.14108	1.0
400.14291	0.5
415.14835	0.1
416.14871	0.2
417.15213	0.3
418.15869	0.2
738.81531	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66117	0.1
59.01262	0.9
60.01576	0.1
61.98717	100.0
62.98422	0.2
71.01279	0.7
71.29775	0.2
72.01650	0.1
73.02830	0.1
78.95798	0.3
83.01278	0.2
85.02852	0.1
87.00777	0.1
89.02340	0.4
91.02841	0.1
95.04962	0.1
101.02348	0.5
102.02710	0.1
104.02248	0.1
113.02364	0.2
117.95523	0.1
119.03459	0.1
125.02392	0.2
133.02888	0.2
135.04428	0.1
143.03523	0.1
152.99577	0.1
161.02412	0.2
173.04575	0.2
179.03416	0.1
191.05528	0.1
235.08252	0.1
277.21786	0.8
278.22113	0.8
279.22614	0.5
280.22845	0.2
335.07996	0.1
352.58636	0.1
373.52658	0.1
397.13293	0.5
398.13785	0.7
399.14075	1.0
400.14389	0.5
415.14877	0.1
416.15237	0.3
417.15121	0.5
418.15625	0.2
485.18414	0.1
535.08868	0.1
558.27301	0.2
726.88232	0.1
739.27850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22683	0.1
59.01266	11.0
64.38899	0.2
70.55579	0.4
78.95805	2.0
81.03356	3.5
83.04919	10.1
84.05266	0.2
91.57098	0.1
96.96865	1.5
98.00236	0.2
108.04440	0.3
124.80378	0.1
125.07120	0.5
126.05451	0.2
143.08211	0.3
207.15063	0.8
224.17725	1.9
225.16092	7.9
226.16391	0.5
228.88034	0.2
233.09509	4.2
234.09865	0.2
242.18678	0.4
260.98206	0.2
290.22055	0.2
309.21912	0.5
324.26538	0.4
333.22983	0.4
341.29318	0.5
357.80646	0.2
367.27072	1.0
407.34183	0.3
433.31873	0.9
450.34860	0.8
451.26727	0.3
451.33044	5.6
452.27725	0.2
452.33145	0.8
550.43353	0.7
593.43793	0.4
648.93109	0.2
659.48798	1.5
660.49170	0.2
677.49854	100.0
678.50183	26.0
678.62689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.4
60.01605	0.1
61.01704	0.1
61.98717	100.0
62.98428	0.2
69.59756	0.5
71.01270	0.9
72.01627	0.2
72.99216	0.1
73.02846	0.2
74.03142	0.1
78.95822	0.1
81.03333	0.1
83.01269	0.1
85.02858	0.3
87.00790	0.2
88.97278	0.1
89.02328	0.7
90.02687	0.2
93.03404	0.1
97.02882	0.2
98.19731	0.1
99.00809	0.1
101.02355	0.7
102.02705	0.1
103.02792	0.1
110.67966	0.1
111.04414	0.1
113.02329	0.3
114.02740	0.1
117.92483	0.1
119.03447	0.2
121.03838	0.1
125.02378	0.3
126.02763	0.1
133.02910	0.2
133.05061	0.1
134.03722	0.1
135.04449	0.3
143.03404	0.1
152.99516	0.2
161.02426	0.3
161.04486	0.2
173.04572	0.3
179.03477	0.2
179.05634	0.1
191.05624	0.1
201.01718	0.1
209.11835	0.5
225.76335	0.1
227.12996	0.1
235.08347	0.3
236.08615	0.2
237.08801	0.1
253.09477	0.1
271.02725	0.1
276.83780	0.1
277.21783	1.2
278.22128	1.2
279.22653	0.8
280.22873	0.2
291.48209	0.1
293.21265	0.2
300.02820	0.1
335.07776	0.1
340.52432	0.1
397.13647	0.9
398.13947	1.1
399.14084	1.6
400.14395	0.8
415.14664	0.2
416.14944	0.4
417.15189	0.6
417.26285	0.1
418.15594	0.3
500.54800	0.1
535.08948	0.4
606.32153	0.1
678.36951	0.1
704.39252	0.1
738.31061	0.1
738.50598	0.1
739.28137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.7
57.03344	1.4
59.01270	100.0
60.01605	1.0
61.98724	6.6
69.03362	0.5
71.01274	15.2
71.58779	0.5
72.99219	0.7
73.02837	4.8
75.00762	0.6
78.95820	0.4
80.91588	0.4
80.96424	0.5
81.03376	0.4
81.87642	0.3
83.01288	2.6
84.08398	0.3
85.02851	7.4
85.99948	0.5
87.00799	1.1
89.02346	2.2
93.03350	0.9
93.14689	0.3
95.01318	1.3
96.95929	1.1
97.02872	0.6
99.00761	2.1
101.02354	9.6
112.56933	0.3
113.02363	6.4
113.03074	0.5
119.03433	0.6
125.02417	1.0
132.02122	0.4
133.02888	2.4
135.04507	1.2
143.03484	1.2
159.03030	1.0
160.01749	0.4
161.02437	4.2
161.04486	2.0
179.03511	1.2
187.03989	0.4
187.07698	0.9
191.05571	2.8
201.01915	0.3
202.06404	0.6
209.11862	1.0
213.14952	0.4
215.07130	0.7
231.10283	0.7
318.57852	0.3
355.40842	0.4
429.15967	0.5
441.34106	1.1
473.37112	2.8
483.73175	0.4
517.35718	1.0
528.16449	0.6
569.38733	0.8
617.40802	10.6
618.41272	2.3
633.40204	0.5
635.41846	22.4
636.42181	5.1
636.51971	0.5
677.42920	40.2
678.43304	9.1
693.41949	0.5
705.32324	0.5
737.33661	2.6
738.34747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76334	0.8
59.01262	7.8
61.98708	3.0
69.03328	3.6
71.01262	5.5
71.36895	1.6
72.30535	0.8
73.02834	1.6
78.95803	4.9
85.02843	1.9
89.02339	2.7
97.06474	1.1
101.02337	2.8
113.02340	2.3
125.09637	1.4
127.07540	1.1
151.11201	2.9
152.99451	2.6
153.12814	1.5
161.04469	1.5
161.09633	3.4
169.12286	4.0
171.10153	1.0
179.10745	8.6
197.11824	42.9
198.12129	3.0
202.63400	0.8
223.09727	1.3
241.10728	1.3
247.01814	0.9
253.09288	3.3
277.21783	52.5
278.22189	5.1
279.23352	4.6
350.10754	0.9
737.41296	100.0
738.41504	24.0
738.53503	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.8
57.03311	0.7
59.01268	6.4
61.98699	1.4
69.03336	2.4
71.01266	7.5
71.04890	2.2
73.02837	1.2
78.95804	5.1
81.03339	1.9
83.01289	0.8
83.04897	0.9
85.02822	1.2
89.02338	2.7
97.02818	0.7
99.00738	0.7
99.04407	0.8
100.11115	0.6
101.02321	3.3
108.09440	0.7
113.02319	1.8
123.08062	1.3
125.09653	2.0
151.11198	1.7
152.99483	1.5
153.12791	1.8
161.04491	0.7
161.09666	1.7
169.12289	1.4
170.35788	0.7
171.10242	1.1
179.10741	6.1
181.12302	0.7
191.05623	1.1
197.11809	77.3
198.12204	3.9
201.11250	2.2
205.08720	1.1
207.10205	1.0
211.24539	0.6
223.09711	1.6
225.11278	2.0
241.10802	3.7
253.09393	3.3
255.23315	5.4
277.21786	27.1
278.22095	2.1
279.23373	6.2
280.23584	0.8
281.24493	0.8
291.72583	0.7
293.24854	1.3
295.22952	1.0
321.24261	1.2
345.38937	0.6
460.18915	0.7
477.19684	3.0
571.26129	0.7
679.38995	1.0
737.41260	100.0
738.41461	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	737.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35996	0.7
54.05214	0.7
55.01765	1.2
57.03320	1.0
58.00474	0.8
59.01266	39.2
59.61975	0.5
64.15748	0.6
69.03336	1.2
71.01271	27.3
72.99185	2.3
73.02840	4.4
75.00748	1.2
78.95794	1.3
81.03336	0.8
83.01268	2.4
85.02850	6.3
87.00365	0.6
87.00777	5.9
87.04417	0.7
89.02339	23.3
95.01281	1.5
97.02861	4.8
98.20523	1.1
99.00769	1.1
101.02345	23.9
111.00803	0.7
111.04426	1.1
113.02356	10.1
119.03416	6.1
121.02901	0.6
125.02370	9.2
131.03429	0.9
133.02856	1.6
133.04974	1.2
141.01671	5.5
143.03394	2.8
152.99399	0.7
161.04457	5.0
167.03450	0.7
179.05598	2.9
221.06700	1.5
235.08258	8.9
253.09335	2.4
263.07788	1.0
267.63098	0.6
279.23358	84.7
280.23706	8.0
287.07950	2.8
287.10553	0.6
305.08908	4.6
323.09985	1.7
380.25180	0.6
381.20764	1.0
397.13599	100.0
398.13943	9.1
415.14658	33.3
416.14941	2.4
596.12750	0.6
677.38080	4.1
678.37860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52797	0.1
59.01263	1.0
69.03353	0.2
69.75164	1.1
71.01276	0.7
71.04910	2.2
80.02567	1.5
81.03358	1.6
82.27546	0.2
83.01293	0.1
83.04920	5.8
84.02054	2.1
85.02849	0.6
87.00784	0.3
88.28032	0.2
93.03358	1.2
95.04927	0.8
96.95914	0.2
97.02841	0.8
97.06481	0.2
105.41485	0.1
109.02838	0.3
109.06516	0.5
111.04441	0.3
113.02386	0.4
119.04939	0.5
121.53621	0.2
123.08076	2.0
125.06018	0.5
125.09712	0.2
127.07578	0.5
133.10129	0.2
134.03613	0.3
135.04480	0.2
135.08095	0.6
145.02892	0.4
147.11763	0.4
160.01581	0.2
162.03195	0.2
163.03944	0.3
163.11241	4.7
164.11600	0.3
165.11505	0.1
165.12793	3.1
166.13026	0.2
170.83316	0.1
173.04501	0.7
173.09758	0.2
175.07518	0.2
177.05597	0.3
181.12302	0.6
189.09172	1.5
191.05573	2.5
191.07143	1.0
191.08652	0.2
191.09062	0.2
191.10733	1.2
192.05933	0.2
193.04929	0.2
205.08653	0.8
209.11821	100.0
210.12157	5.4
219.13950	0.3
221.08260	0.2
225.11383	0.2
227.12894	41.7
228.13239	2.3
245.11853	0.4
263.12933	0.6
267.22040	0.2
303.19824	0.2
311.11401	0.2
327.19626	0.2
329.13510	0.2
329.17633	5.8
330.18109	0.6
347.18704	9.7
348.19040	1.1
371.18588	0.9
389.19876	0.7
483.12897	0.3
540.14075	0.2
693.28479	0.2
729.19061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.9
60.01600	0.1
60.06585	0.1
60.53654	0.1
62.96313	0.2
71.01274	0.4
71.56953	0.2
73.02846	0.2
75.00783	0.2
78.95799	64.7
80.96227	0.2
81.03345	0.1
83.01218	0.1
85.02843	0.5
87.00768	0.2
89.02338	0.3
89.29119	0.1
92.69501	0.1
93.03349	0.7
95.96088	0.1
96.96871	49.0
99.00759	0.2
101.02354	0.3
113.02337	0.2
125.02394	0.2
151.00270	0.2
161.02415	0.2
173.04526	0.5
191.05602	1.3
203.12794	0.2
233.09514	100.0
234.09846	6.5
234.12265	0.3
235.10110	0.3
235.40028	0.1
263.07373	0.2
459.25970	0.4
503.25018	0.2
512.20508	0.1
737.35541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20618	0.1
59.01268	1.0
59.01544	0.2
62.86729	0.1
62.96319	0.1
69.35989	1.3
71.01266	0.2
78.95793	46.6
83.20710	0.1
85.02840	0.2
85.83571	0.1
89.02337	0.2
93.03345	0.2
96.96865	40.5
98.19846	0.3
101.02378	0.3
113.02367	0.2
138.89566	0.1
173.04524	0.2
191.05615	0.6
233.09500	100.0
234.09827	5.6
234.12250	0.2
235.10091	0.4
417.25198	0.1
459.26251	0.3
503.17508	0.2
503.25140	1.0
737.35242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20729	0.1
59.00994	0.2
59.01269	1.9
62.17712	0.1
64.50168	0.1
69.35342	0.3
69.35759	0.9
69.40614	0.1
71.01263	0.5
72.07665	0.1
73.02853	0.2
78.95794	52.7
85.02827	0.3
89.02330	0.2
93.03370	0.4
95.96106	0.2
96.96865	41.2
98.19762	0.2
99.00784	0.2
101.02360	0.3
108.02050	0.2
113.02340	0.2
118.50500	0.1
119.04928	0.2
125.72546	0.1
133.02853	0.1
134.03668	0.2
135.04492	0.2
144.67543	0.1
151.00372	0.3
152.01100	0.2
161.04535	0.2
163.04008	0.2
173.04501	0.4
178.99776	0.2
179.03398	0.1
191.05589	0.9
203.88371	0.1
230.57884	0.1
233.09502	100.0
234.09848	4.8
234.12259	0.2
235.10034	0.2
262.37799	0.1
278.86670	0.1
459.25836	0.5
503.16559	0.6
503.24893	1.0
504.16052	0.2
511.73038	0.1
538.58514	0.1
683.28424	0.1
737.23779	0.4
737.35651	0.8
738.36523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60135	0.3
56.49102	0.3
57.77280	0.3
59.01273	2.4
59.90500	0.2
61.98724	2.9
71.01289	0.5
71.60854	0.6
73.02859	0.3
85.02833	0.5
93.03359	0.3
95.04895	0.3
98.76395	0.3
101.02341	0.4
113.02375	0.3
113.61757	0.3
119.04910	0.3
121.02879	0.8
121.40666	0.3
123.04451	0.7
132.13928	0.3
135.04456	0.3
149.02385	2.6
163.03918	0.6
173.04427	0.3
174.04688	0.3
177.01900	31.9
178.02420	1.6
189.85045	0.3
189.96130	0.3
191.03616	0.6
191.05582	1.7
192.04265	38.4
193.04834	2.8
195.06647	0.7
207.06627	100.0
208.06955	5.2
209.08124	0.4
209.11757	0.3
329.17627	0.4
331.19217	0.5
393.27942	0.3
532.15515	0.4
633.39935	0.4
737.29193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33588	1.8
59.01273	15.1
61.98732	3.8
64.07129	2.3
68.89215	2.0
71.01282	4.9
72.51772	1.9
78.95759	2.4
85.02830	4.0
86.04821	1.8
93.01730	2.0
93.03355	7.4
96.95917	4.2
101.02344	4.2
113.02350	3.3
119.04919	9.5
123.08063	4.5
133.02885	2.4
134.03625	2.6
135.04460	3.0
137.02480	2.5
147.04514	2.8
148.05270	1.9
151.03955	5.0
161.02394	23.2
163.03966	7.7
173.04524	4.3
173.21342	2.0
176.04790	9.5
179.03465	28.7
180.04179	6.0
191.05582	13.7
191.07173	7.6
194.05812	38.0
195.06607	19.1
205.08690	3.7
209.08188	100.0
210.08577	4.6
225.11243	4.2
229.92979	3.2
233.09763	2.1
285.04202	1.9
329.17706	27.2
330.18213	2.8
331.19116	2.6
347.18759	12.1
364.14392	2.5
527.20636	10.3
609.03198	2.3
687.30554	2.9
737.29773	33.0
738.30469	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	735.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.5
61.98720	0.6
69.03342	1.9
71.01234	0.2
71.04916	0.3
71.37471	0.1
71.37817	0.3
90.21455	0.1
93.03357	0.2
96.19312	0.1
109.06567	0.1
146.09358	0.1
168.47942	0.1
173.04520	0.3
189.12897	0.2
191.05608	0.4
207.10246	0.3
209.11884	0.2
239.53220	0.1
273.22321	1.5
275.23798	0.5
276.23965	0.2
284.03705	0.2
285.12628	0.2
301.21844	0.5
319.22842	100.0
320.23184	10.8
338.24664	0.2
374.22910	0.2
401.23160	0.2
467.20132	0.2
653.43878	0.3
675.41821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59739	0.2
59.01265	31.8
60.01605	0.2
60.12593	0.2
81.03353	0.3
85.02836	0.3
85.06483	12.1
86.06825	0.3
87.00751	0.3
90.98489	0.4
100.81005	0.2
109.06497	0.3
111.04426	0.6
111.34412	0.2
112.10754	0.2
113.02392	0.2
113.05997	11.1
114.06370	0.3
121.46111	0.2
122.03683	0.3
125.02357	1.0
131.07066	100.0
132.07404	2.9
135.04370	0.3
151.07588	5.2
152.07983	0.4
173.08151	41.1
174.08511	2.2
179.07004	0.2
191.05635	1.1
195.06607	20.4
196.06944	1.3
209.08273	0.4
211.12001	0.3
219.06639	3.3
237.07672	1.5
249.07722	0.4
282.12994	0.2
357.11984	12.0
358.12512	1.1
376.22824	0.2
489.16101	0.3
515.48450	0.3
764.38611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.3
58.96388	0.3
59.01264	0.8
61.98726	2.1
64.16201	0.3
67.01787	0.3
69.03349	2.1
71.01271	0.4
71.57953	0.3
77.47667	0.3
79.13508	0.3
80.30575	0.3
85.02840	0.3
93.03355	0.4
97.06467	0.3
99.04424	18.2
100.04765	0.5
111.04398	0.4
111.51971	0.3
125.09663	0.7
152.99480	0.3
187.11336	0.4
191.05582	2.2
203.14474	0.3
205.15971	0.9
257.19135	3.0
261.22290	0.6
271.97360	0.3
273.22318	26.1
274.22662	2.7
291.23352	0.3
299.20404	0.4
301.18149	1.7
305.21213	0.8
317.21295	100.0
318.21622	11.3
318.25363	0.6
335.22369	22.5
336.22665	2.4
397.13406	0.4
417.26569	72.3
418.26907	9.7
459.19186	0.4
514.13727	0.5
528.15210	0.3
601.22430	0.3
614.20917	0.5
616.20514	2.5
617.20990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
71.01266	0.8
71.61339	0.3
78.95759	0.4
83.04920	3.1
85.02848	0.7
89.02318	0.3
93.03371	0.9
96.96812	0.3
97.02833	0.3
101.02352	0.4
102.76093	0.3
109.06490	0.4
111.04426	0.3
137.65904	0.3
167.24228	0.3
173.04553	0.6
185.35300	0.3
189.12746	0.3
191.05595	5.2
191.14394	0.4
192.05946	0.5
203.14452	0.3
207.10327	0.9
211.13541	0.3
225.11339	0.4
235.17021	0.4
253.09222	0.4
259.20746	0.8
262.34317	0.2
275.24286	0.3
276.28928	0.2
277.21735	1.4
278.22159	0.4
279.23398	0.3
288.45294	0.3
291.19763	0.7
301.21906	1.4
303.19644	0.5
319.22870	100.0
320.23215	10.2
320.27078	0.4
323.10077	0.3
375.60324	0.3
397.13507	0.8
707.07214	0.3
717.38916	0.7
735.39862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08030	0.5
59.01000	0.8
59.01269	9.3
61.98721	6.8
70.47536	1.7
71.01261	1.2
72.99203	0.9
73.02861	0.8
85.02840	0.8
93.03363	0.8
96.95940	1.1
101.02356	1.2
113.02381	0.7
117.53580	0.6
133.02791	1.0
177.01874	0.9
179.14943	0.6
191.05533	1.6
209.11671	0.8
215.07072	0.9
236.00941	0.6
289.18112	1.0
471.34970	2.1
615.38763	1.6
675.41327	100.0
676.41644	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	735.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	1.1
57.03331	1.4
58.00483	1.9
59.01268	33.2
61.98719	1.4
69.03349	2.5
70.99134	0.8
70.99439	0.6
71.01275	33.5
72.01611	0.6
72.99193	2.8
73.02840	6.9
75.00771	1.1
80.48564	0.4
81.03350	2.7
83.01283	5.0
83.04935	0.5
85.02345	0.8
85.02848	11.6
86.81851	0.4
87.00777	21.8
87.04424	1.2
89.02341	25.5
91.03913	1.1
95.01294	2.8
97.02859	6.5
99.00787	2.8
101.02353	35.0
102.02650	0.5
103.00256	0.7
106.46687	0.5
109.02885	0.7
109.16722	0.4
111.04430	1.2
113.02357	18.5
115.03938	0.6
119.03425	6.5
121.02849	0.5
123.00773	0.6
124.01574	1.8
125.02374	15.6
126.02739	0.5
127.03926	0.7
129.01874	0.6
131.03416	1.5
133.02893	0.5
139.03947	1.5
141.01881	0.5
143.03452	7.7
149.04504	0.8
161.04509	8.1
163.11296	0.5
167.03462	0.9
171.02872	1.3
173.04590	0.5
179.03461	0.5
179.03981	0.6
179.05580	6.3
185.04543	0.8
191.05606	0.6
203.05533	1.1
203.66348	0.5
209.11856	1.1
217.07326	0.5
221.06609	2.7
235.08261	18.3
236.08588	0.8
245.06702	1.3
253.09329	11.6
253.11908	0.8
263.07739	1.7
273.22446	0.5
277.21799	100.0
278.22141	10.5
284.46719	0.5
287.07776	6.2
291.23401	0.9
301.21823	0.5
305.08875	7.6
306.09109	0.7
319.23169	0.6
323.09909	3.4
333.20911	0.5
367.24197	0.5
379.12885	0.6
397.13602	91.9
398.13968	7.4
415.14667	67.5
416.14993	4.2
555.25946	0.6
675.36176	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	22.1
59.68943	0.3
60.01582	0.3
60.99199	0.4
61.98716	19.2
65.95082	0.2
69.80836	0.2
69.91290	0.7
69.91711	0.9
71.01270	2.5
71.28660	0.2
73.02820	0.4
78.95768	0.4
85.02851	1.6
87.00738	0.3
87.60550	0.3
88.98703	2.1
89.02326	0.5
93.03331	0.5
93.68269	0.3
96.95932	0.3
97.02831	0.6
98.19908	0.3
99.00816	0.4
101.02340	1.5
113.02352	1.4
116.92768	1.1
117.22460	0.3
121.02840	2.3
123.00825	0.5
123.08068	0.6
125.02325	0.4
127.07591	0.4
135.04445	0.9
147.08073	1.0
150.03172	0.3
151.00287	2.6
161.04466	2.7
161.09663	0.6
163.11249	1.5
165.05545	0.4
166.02667	12.8
166.04890	0.6
166.06310	12.2
167.03040	0.8
167.06657	0.5
170.74573	0.3
177.01903	1.0
179.07082	0.4
181.05037	15.1
181.08636	8.6
182.05356	0.9
182.09053	0.5
188.76384	0.3
191.05586	1.2
191.07094	13.7
192.04250	0.7
192.07564	0.9
195.06659	0.3
205.03516	0.3
205.08681	10.6
206.09209	1.0
207.06564	1.2
209.11804	0.5
210.12291	0.4
213.15009	0.6
221.08205	1.8
269.19220	0.6
287.81818	0.3
313.18115	1.0
331.19217	100.0
332.19568	10.8
333.42538	0.3
339.58466	0.3
349.20291	7.2
350.20599	0.4
451.73294	0.3
602.73547	0.3
624.28833	0.4
649.38159	0.3
735.31177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
59.01268	13.4
60.01612	0.1
62.96291	0.1
67.01752	0.2
70.13482	0.6
71.01268	2.0
72.99187	0.2
73.02842	0.7
74.37375	0.1
78.95795	51.9
79.61433	0.1
83.01265	0.2
83.04916	0.2
85.02843	0.9
87.00778	0.3
89.02355	0.7
93.03363	1.8
94.03723	0.1
95.01293	0.1
95.96114	0.2
96.96867	42.8
97.20948	0.1
98.19940	0.1
99.00797	0.7
101.02344	1.1
109.02902	0.1
111.00774	0.2
111.04415	0.4
112.04771	0.1
113.02353	0.9
119.03413	0.1
119.04927	1.2
121.02884	1.2
123.04432	0.2
129.01747	0.1
131.03433	0.2
133.02878	0.3
134.03598	0.2
135.04456	0.4
137.02350	0.4
143.03401	0.2
143.04970	0.3
145.02867	0.7
149.04524	0.7
153.05524	0.3
155.03444	0.6
161.02357	0.3
161.04512	0.6
163.03979	1.1
173.04517	2.5
174.04861	0.3
175.75136	0.1
177.01888	1.7
181.05063	0.7
191.05586	3.6
192.05946	0.1
193.04976	0.2
207.04283	0.2
211.07559	0.4
212.07872	0.2
221.06581	0.1
233.09502	100.0
234.09834	5.7
237.09167	0.3
249.08931	0.1
257.27615	0.1
265.08777	0.3
283.10101	0.1
293.04968	0.1
294.05435	0.2
311.09756	0.2
319.08359	0.8
327.08694	1.0
328.09128	0.5
339.07022	0.2
353.06683	0.7
355.10464	0.7
359.91266	0.1
363.29648	0.1
397.22275	0.5
397.95383	0.1
415.23541	1.0
416.23706	0.2
457.17429	0.6
457.24445	3.3
458.24756	0.5
483.13229	0.1
492.63611	0.2
499.12488	1.2
500.12793	0.2
501.14917	0.9
527.12195	0.6
553.18915	0.1
624.95563	0.1
632.69873	0.1
735.23645	0.5
735.35565	0.6
736.23859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.1
59.01267	6.5
60.34971	0.1
60.99184	0.1
62.96310	0.3
67.01768	0.3
69.03320	0.1
71.01276	1.2
71.62574	0.1
72.99204	0.1
73.02833	0.3
75.00790	0.1
78.95797	58.4
83.01309	0.1
83.04887	0.1
85.02843	0.8
87.00784	0.7
89.02335	0.5
93.03365	3.0
94.03697	0.3
95.01298	0.1
96.96868	48.7
99.00805	0.2
99.04424	0.1
101.02344	0.5
105.03373	0.1
109.02871	0.3
111.04465	0.7
113.02378	0.4
117.03355	0.2
119.03440	0.2
119.04940	0.6
121.02877	0.1
127.03961	0.1
129.01875	0.1
131.03442	0.2
132.02141	0.1
132.69992	0.1
133.02884	1.1
134.03639	0.4
135.04465	0.6
137.02402	0.2
139.03947	0.4
143.04953	0.1
145.02870	0.2
149.04497	0.4
149.06033	0.1
150.03157	0.1
155.03427	0.2
160.01553	0.6
161.02379	0.8
161.04491	0.2
163.03949	0.4
173.04512	2.5
174.04918	0.1
175.00363	0.1
175.03911	0.3
177.01892	0.5
178.02649	0.1
179.03461	0.2
191.05600	4.9
192.05959	0.4
193.05020	0.2
211.07619	0.3
215.05685	0.6
233.09506	100.0
234.09834	5.3
237.09282	0.1
250.06554	0.1
265.08624	0.2
267.07227	0.7
277.58725	0.1
294.05530	0.2
327.08838	0.7
328.09268	0.3
335.05643	0.3
337.09506	0.1
339.05075	0.1
351.07397	0.5
353.06601	0.9
397.22516	0.2
415.23660	0.3
457.24603	1.8
458.24899	0.3
499.12576	0.4
501.20197	0.5
502.61404	0.1
527.12079	3.0
528.12305	0.6
691.18872	0.3
735.22095	0.2
735.34021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	10.7
61.98717	5.0
71.01281	0.4
71.60419	0.4
75.00757	1.6
81.03358	0.6
88.98708	0.9
93.03381	0.5
96.95915	0.7
101.02342	0.6
107.01245	1.4
113.02340	0.3
114.12825	0.3
123.00778	1.5
123.08140	0.4
125.02354	1.3
126.91006	0.3
127.07641	0.3
127.09980	0.3
137.02318	0.3
139.03886	0.4
147.08121	0.5
151.00310	17.1
161.09586	0.3
163.11215	0.6
166.02675	80.8
167.02988	3.3
181.05035	100.0
182.05371	5.2
191.05577	1.4
191.07135	4.1
195.06674	0.5
205.08682	3.1
209.11899	0.6
221.08136	0.5
275.71848	0.3
301.12451	0.3
331.19226	43.4
332.19601	4.9
347.18625	0.3
349.20316	1.4
399.59293	0.3
640.76337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77248	0.7
59.01265	5.7
61.98718	2.1
67.01778	2.0
69.49398	5.0
71.01276	4.8
73.02813	0.8
78.95779	3.1
81.03330	0.9
83.04942	0.9
85.02841	1.9
87.00792	3.9
89.02333	2.4
89.03879	1.1
90.98644	0.6
93.03355	16.6
95.04925	1.7
95.08860	0.6
99.00739	1.1
101.02364	2.2
105.03364	9.7
109.02872	1.5
111.04427	6.2
113.02375	1.3
123.04415	1.5
125.02349	1.3
127.03924	1.2
129.01871	0.7
133.02882	84.7
134.03270	2.7
135.04454	19.9
136.04776	1.2
137.02374	2.9
151.03943	1.3
152.99513	1.0
155.03438	7.1
159.11732	1.1
161.02396	6.1
167.08601	5.0
171.10141	0.6
173.04509	33.3
174.04831	1.7
177.01898	44.9
178.02194	1.7
179.03461	14.3
180.03848	1.0
191.05606	6.3
215.05586	2.5
215.17950	0.7
225.94995	0.6
229.93607	0.6
235.08170	1.0
253.09151	0.7
277.21765	9.8
278.22174	0.9
282.46179	0.6
283.24390	4.8
293.22800	8.8
294.23059	0.7
305.08514	1.1
307.08386	0.7
309.22290	7.0
311.23926	0.7
317.21335	1.0
319.22949	1.2
327.23346	1.2
335.07764	7.8
337.21640	3.7
351.07202	5.1
355.22870	2.1
381.20770	28.0
382.21085	3.2
397.13654	13.2
399.21951	1.4
415.14636	4.3
462.56464	0.6
513.10455	2.0
555.26086	100.0
556.26416	15.0
573.27130	17.2
574.27386	2.2
717.29071	5.5
718.29730	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	735.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.4
59.01265	42.7
61.98717	4.3
67.01768	0.6
69.03346	0.5
69.32238	3.6
71.01273	2.4
71.04910	3.5
72.99223	0.6
73.02828	0.4
75.00767	0.5
78.95773	2.1
81.03351	0.7
83.01256	0.4
83.31312	0.4
85.02850	1.2
87.00780	0.5
88.98705	0.4
89.02334	1.0
93.03367	1.1
95.01280	0.5
96.95920	4.2
97.02850	0.9
99.00782	0.4
100.32996	0.3
101.02372	0.8
106.29770	0.4
107.01319	0.3
107.04935	0.5
109.02867	1.4
111.00786	0.6
111.04423	0.6
111.71348	0.4
113.02344	1.5
116.92742	0.4
119.04955	0.8
121.02871	1.1
121.06545	0.5
122.03661	3.3
123.04469	0.5
123.08081	17.3
124.08413	0.7
125.02397	2.0
125.09609	0.5
127.07650	0.5
130.73685	0.4
133.02856	1.3
133.10178	0.5
134.03638	0.4
135.00792	1.1
135.04477	2.0
137.02351	0.5
138.03108	0.5
139.03920	0.5
145.02928	0.4
147.04480	0.6
149.02357	0.7
150.03163	3.4
151.00256	0.5
151.03609	0.4
153.01883	14.0
153.05507	5.3
154.02226	0.5
161.02400	1.1
161.04549	0.8
161.09682	0.9
163.03929	0.5
163.07547	0.4
165.05438	0.7
168.04234	24.1
169.04625	0.7
169.89641	0.3
171.10237	0.3
173.04530	1.4
177.05544	0.4
179.03499	1.7
183.06598	73.4
184.06934	3.3
189.09154	2.2
191.05577	3.7
191.07137	12.4
192.05864	0.5
192.07463	0.8
193.04987	0.6
195.06638	1.0
205.08694	10.7
206.09256	0.8
209.08286	0.4
209.11833	0.5
219.13889	0.7
221.08185	1.3
231.14003	0.6
242.06856	0.3
245.11852	1.0
263.13077	0.8
271.02512	1.6
272.02890	0.9
280.56882	0.4
285.18585	2.0
299.02112	3.0
300.02512	1.6
301.02554	0.8
303.19812	1.3
329.17648	100.0
330.15018	0.2
330.17972	8.2
347.18707	29.7
348.19034	2.9
371.18802	1.1
389.19940	0.9
545.30261	0.5
684.35168	0.4
735.34790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23897	0.9
59.01260	2.9
60.99185	3.2
61.98695	2.1
67.01775	5.1
69.03330	1.4
69.45395	7.9
71.01262	3.7
78.95794	2.1
81.03327	2.4
83.04915	2.4
85.02802	1.8
87.00769	7.7
93.03356	45.9
95.04929	2.3
96.95904	1.5
98.19854	1.9
99.00789	1.2
105.03376	9.9
107.04929	3.0
108.02055	1.3
109.02861	7.6
111.04433	11.7
117.03398	1.6
121.02791	1.2
123.04443	2.2
127.03911	1.3
129.01859	1.1
133.02882	92.5
134.03740	8.7
135.04449	91.8
136.04779	3.4
136.25955	0.9
137.02371	5.0
149.02429	1.3
151.03949	1.2
152.99501	0.9
155.03459	9.0
161.02400	19.6
162.02696	1.0
167.08594	2.2
173.04509	76.8
174.04857	3.7
177.01897	40.4
178.02266	1.1
179.03459	79.4
180.03799	4.9
184.83006	0.9
191.05579	23.6
192.06050	1.2
208.11937	1.0
215.05603	17.4
216.05917	1.0
283.24353	2.1
293.22794	3.1
307.08240	3.0
309.22272	4.2
333.06226	1.9
335.07822	18.8
336.08182	2.3
337.21848	2.6
351.07285	37.2
352.07660	2.5
353.04587	0.9
353.08853	1.6
381.20767	15.6
382.20956	1.4
408.91821	0.9
513.10468	14.2
514.10938	2.4
537.24988	1.2
555.26093	100.0
556.26556	19.0
573.26953	5.1
641.46606	1.1
717.29242	28.9
718.29694	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	735.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.5
59.01266	1.8
61.98705	1.1
63.33342	0.3
67.01783	1.4
69.03343	0.7
71.01265	1.7
71.57473	0.4
71.57899	0.5
73.02840	0.4
77.03857	0.7
78.95809	0.6
81.03345	0.6
83.04925	1.8
85.02846	0.6
87.00797	1.8
89.02360	0.4
89.03860	0.8
93.02769	0.7
93.03358	13.4
95.04925	1.6
99.04418	3.0
101.02337	0.5
105.03358	7.6
107.04897	0.6
109.02851	1.1
111.04428	5.3
112.04699	0.3
121.06519	1.3
121.60319	0.4
123.04453	0.9
125.02454	0.4
127.03937	0.6
129.01851	0.8
130.04193	0.4
132.02075	0.5
133.02881	73.4
134.03230	1.9
135.04451	16.7
136.04776	0.6
137.02370	1.6
145.06573	0.5
146.07384	0.4
147.08134	0.5
151.03967	1.1
155.03467	5.8
159.11761	1.6
161.02382	4.9
167.08595	4.4
173.04510	28.6
174.04840	1.0
177.01894	37.6
178.02237	1.7
179.03453	13.5
180.03799	0.4
181.10190	0.7
191.05594	4.4
195.02890	0.5
205.19177	0.3
211.07640	0.5
215.05603	1.4
217.00336	0.5
233.05063	0.4
277.21695	1.3
283.24341	5.4
284.24710	0.5
289.18436	0.3
293.22812	8.0
294.23178	0.8
307.08408	0.5
309.22290	7.2
310.22656	0.9
315.19498	0.5
319.23004	3.5
320.23383	0.4
327.23373	1.6
335.07806	5.5
336.08105	0.4
337.21829	5.0
351.07205	4.8
355.22742	2.7
356.23325	0.5
381.20776	32.3
382.21161	3.7
397.13669	2.0
399.21741	1.2
415.15088	0.7
415.25024	5.1
491.48642	0.5
513.10388	1.0
519.20258	0.4
537.24811	0.4
555.26099	100.0
556.26434	15.9
573.27173	21.1
574.27405	3.6
717.29352	6.7
718.29712	1.7
734.71027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54214	0.4
59.01271	1.6
61.98722	1.8
67.01774	1.4
67.03739	0.4
69.03313	0.4
70.34731	0.4
70.85255	1.0
71.01259	1.9
75.33483	0.4
77.03864	0.5
78.95797	1.6
80.08125	0.4
83.04919	1.3
85.02844	1.3
87.00778	2.0
88.22392	0.4
89.03863	0.6
93.03359	12.4
95.04925	2.1
99.04379	0.5
105.03373	8.3
109.02858	1.6
111.04423	6.4
113.00004	0.4
123.04445	1.1
132.02167	0.5
133.02884	80.6
134.03268	2.9
135.04454	15.1
136.04822	0.7
137.02371	2.5
146.07219	0.5
147.08095	0.5
149.02374	0.6
151.03955	1.2
155.03445	6.3
159.11726	0.9
161.02394	7.2
167.07355	0.8
167.08597	4.5
173.04517	30.9
174.04767	1.1
177.01892	41.5
178.02309	1.8
179.03473	10.8
181.10284	0.6
191.05615	5.1
192.05959	0.5
193.62469	0.5
215.05579	1.9
275.14346	0.4
283.24356	4.9
284.24521	0.7
293.22833	8.5
294.23209	0.8
309.22348	6.6
310.22769	0.6
319.22638	1.5
327.23331	1.3
335.07831	5.4
336.07913	0.8
337.21988	3.4
338.22195	0.8
351.07281	5.4
352.07614	0.5
355.22900	3.2
359.22580	0.5
381.20792	25.6
382.21097	3.4
399.21884	0.9
513.10754	2.4
555.26086	100.0
556.26477	18.8
573.27209	20.3
574.27332	3.7
660.53540	0.6
717.29169	6.6
718.29553	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69640	0.1
59.01253	0.9
61.98719	100.0
62.98420	0.2
67.60107	0.1
69.32842	1.1
71.01270	0.4
72.99195	0.2
73.02863	0.1
80.96421	0.2
85.02853	0.3
88.98803	0.1
89.02335	0.1
96.95886	0.1
101.02383	0.2
110.59966	0.1
113.02350	0.2
127.73681	0.1
133.02869	0.2
135.04477	0.2
179.07269	0.1
181.05101	0.2
191.05618	0.3
207.10358	0.2
209.11850	0.3
220.58261	0.1
222.82916	0.1
234.51138	0.1
331.19388	0.3
332.19550	0.1
356.42276	0.1
409.36923	0.1
437.40939	0.1
495.78265	0.1
733.83740	0.1
734.38300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36884	0.1
59.01265	1.5
61.98719	13.6
63.60813	0.2
71.01270	0.5
73.46101	0.2
77.31509	0.2
77.75729	0.1
80.96455	0.2
81.03333	0.3
85.02841	0.3
86.47209	0.2
89.02365	0.2
89.03857	1.5
93.03371	0.2
94.76695	0.2
95.04893	0.2
96.95911	0.2
101.02344	0.3
104.02608	0.4
105.03371	2.4
118.01823	0.2
127.07597	0.5
133.02887	6.8
134.03183	0.3
146.03699	0.5
148.01624	0.3
149.02359	0.6
161.04492	0.2
161.05965	0.2
164.04697	0.5
166.02682	0.2
176.01129	1.9
177.01898	100.0
178.02226	4.4
179.07112	0.8
180.07399	0.2
181.05008	0.2
191.05537	0.5
191.07137	0.6
195.06552	0.2
197.11763	0.2
201.02040	0.2
205.08667	0.5
209.11859	0.4
275.84018	0.2
295.77347	0.2
321.06152	0.3
331.19238	2.6
332.19397	1.1
339.07269	2.5
340.07617	0.3
347.18661	0.2
349.20187	0.3
395.25314	0.2
449.14737	1.0
465.28494	0.2
587.24426	0.2
589.82977	0.2
671.27252	28.9
672.27594	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	734.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
59.01259	1.1
60.66208	0.1
61.98717	100.0
63.67112	0.2
63.74380	0.2
65.00204	0.2
66.12851	0.2
70.20329	0.2
71.01279	0.9
73.02850	0.2
78.95810	0.2
81.03338	2.1
83.01282	0.5
83.29561	0.1
85.02846	0.2
85.06470	0.2
87.00774	0.3
87.04425	0.2
89.02332	0.7
97.02879	0.2
98.20570	0.3
99.04431	0.5
101.02356	0.8
107.01274	0.2
109.06501	1.0
111.04427	1.7
113.02369	0.4
122.03663	0.8
125.02368	3.9
133.02977	0.2
149.02393	0.4
151.00333	0.6
151.07587	15.3
152.01109	0.1
152.07976	0.7
173.04402	0.2
177.05519	0.7
187.89099	0.1
189.12814	0.8
191.05534	0.4
191.07132	0.4
195.06602	62.6
196.06940	3.7
205.08698	0.5
219.06621	0.5
235.08231	0.2
237.07664	0.6
253.09280	0.2
257.47803	0.2
269.19131	0.2
275.20294	0.2
276.20547	0.2
277.21738	1.8
284.05353	0.1
286.09265	0.2
313.18158	9.7
314.18579	1.0
317.21201	0.7
318.21796	0.2
323.09808	0.2
357.11978	10.9
358.12268	0.8
397.13586	2.5
398.13803	0.6
415.14624	1.6
415.24963	0.2
416.25500	0.2
671.30920	4.1
672.31329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82235	0.2
56.88398	0.2
57.03350	0.1
59.01266	24.3
60.01604	0.3
61.98721	1.7
71.01250	0.9
73.02840	0.2
78.95806	0.2
85.02845	0.4
87.00776	0.3
89.02354	0.6
93.03374	0.6
96.42613	0.2
96.95915	3.6
96.96860	0.2
97.02845	0.2
98.20661	0.3
101.02360	0.5
109.02887	0.3
113.02355	0.5
117.03368	0.3
119.03478	0.3
119.04946	0.5
123.08082	0.2
127.07600	0.3
134.03676	0.3
135.04454	1.8
139.00337	0.2
145.02902	1.0
146.03674	28.1
147.04016	1.2
147.08046	0.2
149.06116	0.2
161.02397	0.3
161.06029	8.1
162.06357	0.7
163.03937	1.6
164.04742	19.7
165.05048	0.9
173.04446	0.3
173.46246	0.2
179.07100	42.9
180.07448	2.2
181.05057	0.3
183.04518	0.5
189.05551	0.3
191.05595	1.3
191.07104	16.2
192.07420	1.1
205.08685	11.4
206.09227	1.3
207.10097	0.2
209.11870	0.3
211.03979	0.3
221.08211	2.4
222.08609	0.2
227.03551	0.8
255.03046	2.6
256.03473	0.4
283.02548	4.5
284.03223	1.0
285.04102	1.0
299.85858	0.2
313.18127	0.5
329.17502	0.2
331.19220	100.0
332.19556	12.8
349.20276	3.9
350.20517	0.5
455.90994	0.2
629.35724	0.4
647.36212	0.4
671.27753	0.2
715.24225	0.2
733.34290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	17.3
60.96717	0.1
61.98717	2.4
64.82240	0.1
68.22872	0.1
71.01271	0.6
75.78712	0.2
80.96372	0.2
83.01305	0.2
85.02847	0.3
93.03319	0.2
96.95905	0.2
97.06491	0.2
101.02377	0.3
113.02362	0.4
123.08082	0.4
127.07613	0.2
135.04478	0.8
139.03989	0.3
143.85205	0.2
145.02885	0.9
146.03674	26.4
147.03993	1.4
147.08098	1.1
150.64871	0.2
161.06029	8.5
161.09689	0.7
162.06441	0.3
163.03967	1.0
163.11272	1.9
164.04745	18.5
165.05064	1.0
167.03477	0.2
179.07103	41.5
180.07428	2.1
191.07111	11.2
192.07477	1.1
205.08690	9.0
206.09143	1.0
209.11844	1.8
221.08224	1.5
227.12874	0.2
253.09306	0.2
269.19086	0.5
283.72086	0.2
287.20288	0.2
313.18243	0.4
331.19223	100.0
332.19571	12.1
347.18756	0.3
348.18811	0.2
349.20288	4.8
350.20584	0.6
505.47849	0.2
733.27380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99649	0.2
55.01758	0.3
57.03345	0.5
58.00486	0.9
59.01266	27.6
60.01589	0.3
62.07540	0.2
65.88280	0.2
69.03357	0.2
70.09677	0.9
71.01273	15.1
72.01617	0.2
72.99207	1.3
73.02831	1.3
78.95797	4.5
81.03360	0.3
83.01274	1.1
85.02843	4.6
87.00777	0.8
89.02339	11.8
90.02715	0.2
90.98528	0.4
93.03355	1.3
95.01289	1.3
96.95921	0.3
96.96857	2.6
96.97430	0.3
97.02853	6.8
97.06465	0.3
99.00819	0.7
101.02350	9.6
109.02884	0.6
111.04459	0.4
113.02360	5.6
115.36974	0.2
116.92783	0.2
119.03416	5.1
119.04940	0.7
127.07574	15.1
131.03432	0.5
134.03703	0.2
135.04453	0.2
137.02451	0.2
143.03406	0.5
143.04993	0.3
145.02934	0.4
149.04512	0.4
155.03452	0.2
161.04541	1.0
161.09691	0.2
163.03938	0.6
163.11218	0.2
165.05525	0.9
165.09273	0.2
173.04562	1.3
179.05620	0.9
179.10748	0.3
181.08916	0.2
181.12354	0.2
183.70502	0.2
189.12735	0.9
191.05602	4.9
191.07147	1.2
193.05045	0.2
203.14392	0.6
205.08702	1.5
207.04312	0.7
207.10257	1.7
211.07622	0.4
215.14494	0.3
221.15448	1.0
223.09764	0.4
225.11375	0.6
233.09509	3.5
234.09824	0.3
235.07674	0.6
255.03140	0.3
256.03189	0.2
265.08658	0.4
268.77542	0.2
269.19232	0.7
283.09860	0.3
283.17133	0.5
287.20340	0.7
291.61084	0.2
307.06168	1.2
308.06689	0.2
311.84903	0.2
313.18167	8.3
314.18530	0.8
315.19647	0.4
327.08859	1.6
331.15265	0.4
331.19202	6.1
332.19492	0.6
395.20544	0.2
447.09430	0.4
455.22913	2.3
456.23413	0.2
467.26401	0.3
493.24545	22.7
494.24826	3.1
499.11987	0.2
511.25580	100.0
512.25934	12.6
535.25800	0.4
553.18011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97626	0.3
57.03324	0.9
58.00449	1.6
59.01268	43.2
60.01596	0.6
61.98691	0.9
67.01769	0.7
71.01274	34.6
71.63019	0.6
72.01597	0.4
72.99206	2.6
73.02505	0.4
73.02837	5.4
75.00743	1.0
75.11927	0.4
78.95798	0.7
81.03325	0.5
83.01251	1.6
85.02849	7.5
87.00791	3.2
88.98681	1.5
89.02343	38.3
89.77335	0.4
90.02655	0.8
93.03373	2.1
95.01262	2.2
96.95940	1.9
97.02853	3.5
99.00738	0.4
99.04440	0.4
101.02354	37.9
102.02678	1.0
107.03370	0.6
109.02856	0.7
111.04414	0.6
113.02361	13.5
114.02671	0.5
115.03841	0.5
117.53849	0.4
119.02587	0.8
119.03429	16.2
119.04865	1.2
123.08131	0.8
125.02376	6.8
127.07587	13.3
128.07898	0.8
131.03433	3.3
133.06459	0.4
134.03638	0.5
135.04410	0.8
137.02330	1.3
139.03993	0.5
143.03444	5.8
145.02904	1.0
147.08098	1.4
149.02460	0.5
149.04454	1.3
151.03902	0.6
151.07576	0.4
152.01085	0.4
155.03366	0.8
161.02435	0.8
161.04523	10.4
161.09616	2.2
162.04959	0.5
163.03914	1.1
163.07599	0.6
163.11255	2.2
165.09158	0.7
167.03418	0.8
173.04506	1.7
178.02678	0.5
179.05586	53.1
180.05931	1.2
181.05070	0.6
185.29359	0.5
187.07547	0.7
191.05560	4.2
191.07120	12.9
192.07381	0.6
193.04997	0.9
195.06625	0.8
203.10718	0.5
203.14467	0.6
205.08685	12.1
206.09265	1.2
207.10231	0.9
209.08157	0.5
221.06581	11.3
221.08115	1.1
241.07124	0.8
269.19247	0.7
270.09055	0.4
281.08740	0.7
287.20386	0.5
301.11566	0.4
305.08878	2.4
313.18201	6.1
314.18546	0.5
323.09930	3.4
329.17780	0.5
331.19235	100.0
332.19574	11.3
338.70773	0.4
341.10934	2.3
349.20291	64.2
350.20630	7.0
373.20316	0.9
391.21616	0.8
482.25684	0.4
525.27155	0.8
543.28101	0.8
650.90948	0.5
673.31677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.2
58.00480	1.2
59.01265	42.8
61.98709	0.8
67.01733	0.8
69.03342	1.1
71.01272	33.2
71.04912	0.5
71.56856	0.6
72.99162	2.4
73.02827	5.3
74.71039	0.6
75.00725	0.8
75.71451	0.6
78.95801	9.2
81.03330	0.9
83.01260	2.6
85.02359	0.6
85.02840	8.2
85.83601	0.7
86.60265	0.5
87.00762	4.2
89.02340	38.8
93.03378	4.9
94.45883	0.5
95.01259	2.2
96.95885	2.1
96.96867	8.0
97.02863	3.6
99.00769	0.7
101.02351	30.9
109.02851	1.4
111.04394	2.2
113.01624	1.0
113.02354	14.2
114.02670	0.6
119.03430	15.5
119.04934	9.8
119.48256	0.6
120.05235	0.8
123.08070	1.0
125.02357	6.7
127.07573	12.2
131.03410	3.6
132.02069	0.8
133.02840	1.7
134.03687	4.3
135.04446	3.6
137.02335	2.1
137.21016	0.6
141.51402	0.6
143.03432	3.8
143.04948	0.7
145.02866	1.7
149.04411	1.7
149.05989	1.9
155.03421	2.0
159.02989	0.8
160.01575	2.0
161.02348	1.6
161.04489	10.4
163.03961	19.4
164.04407	1.0
165.05492	1.6
165.09195	0.8
166.58578	0.6
173.04485	8.0
175.03914	3.2
178.02597	0.8
179.03525	2.7
179.05579	41.8
180.04057	0.6
180.05931	1.8
181.04919	0.8
191.05536	17.8
191.07115	13.4
192.05930	1.2
192.07515	0.7
193.05054	5.3
195.06537	0.7
203.14397	1.1
205.06909	1.1
205.08691	10.9
206.09306	1.5
207.10231	1.2
211.07565	1.6
221.06552	9.5
221.08348	1.4
222.06860	0.8
223.06122	1.1
233.07176	0.7
233.09494	11.0
258.38126	0.7
265.08667	1.9
269.19135	0.9
276.47516	0.7
302.30460	0.7
305.08899	2.1
311.11447	9.2
312.11795	1.4
313.18103	9.2
314.18381	1.4
319.08405	1.0
323.09933	2.4
327.08749	3.2
331.19220	100.0
332.19525	11.4
335.07629	1.2
337.09421	12.2
338.09650	1.0
341.10901	1.4
343.12112	0.9
349.20279	89.9
350.20621	10.0
353.08975	3.6
373.20380	1.0
374.55597	0.7
393.11978	1.0
455.23212	1.3
482.17538	0.7
492.13626	0.8
499.12677	2.2
500.12927	0.8
592.29797	0.7
673.30554	0.9
747.82263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68518	0.7
52.71722	0.5
54.41187	0.5
59.01262	10.7
60.11369	0.6
71.01266	1.5
71.58238	1.1
76.13496	0.6
78.95785	1.3
89.02341	0.9
93.03366	1.3
133.02873	1.2
136.83263	0.6
147.04327	0.8
152.99564	0.6
161.02405	0.6
191.05576	3.5
200.34782	0.7
221.42604	0.7
234.92697	0.6
258.02844	0.5
273.22388	1.3
277.21671	1.0
279.85217	0.7
317.21310	3.5
412.15222	0.9
427.13919	1.2
431.06989	0.7
438.09732	1.8
441.15866	0.7
442.16675	2.3
453.12039	1.7
454.09326	1.8
455.17426	8.8
456.17795	1.9
457.12503	0.7
457.18942	12.8
458.18994	2.6
459.16791	1.5
467.14133	1.0
469.11548	3.2
470.16574	1.2
473.18390	11.4
474.15811	4.0
475.15622	1.5
482.12350	1.3
483.12863	1.9
485.18356	5.3
486.18842	1.3
488.16742	0.8
495.13095	0.7
496.13745	7.9
497.15457	3.7
498.11581	0.8
499.16873	1.4
501.18250	0.8
502.15076	1.0
510.15222	1.6
511.16306	10.8
512.13373	21.7
513.13879	6.3
513.21301	1.5
526.15063	12.1
527.15698	17.0
528.16400	5.5
529.17236	1.5
543.21820	0.6
551.37354	0.6
560.15723	2.2
583.18494	8.9
584.19128	3.2
597.19806	4.6
598.20294	1.2
599.21802	8.3
600.21503	2.4
613.19983	1.9
614.20313	100.0
615.20770	49.1
616.21411	5.4
629.22797	1.4
645.22064	1.9
646.19299	15.1
647.19812	3.9
673.21722	6.5
674.21930	2.1
705.72192	0.7
710.80933	3.0
711.30902	2.2
733.23846	3.9
733.80804	0.7
734.23505	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82563	0.5
59.01263	8.9
71.01266	6.5
73.02842	1.6
78.95794	1.8
80.45018	0.4
85.02856	2.2
87.00781	1.0
89.02333	6.6
93.03345	4.3
96.96871	1.5
97.02829	1.2
98.19744	0.9
101.02358	5.9
109.02912	0.7
111.04435	2.6
113.02374	2.5
119.03418	2.2
119.04945	41.1
120.05288	1.3
125.02364	1.2
127.03942	1.0
127.07546	2.1
131.03441	0.7
133.02878	1.2
134.03674	0.5
135.04457	11.5
136.04742	0.5
137.02396	0.6
143.03452	1.6
145.02892	0.7
155.03436	3.7
161.02406	4.5
161.04497	1.4
163.03957	100.0
164.04283	4.6
173.04521	8.9
179.03445	10.4
179.05573	9.3
180.03682	0.7
191.05589	35.8
191.07097	2.5
192.05920	1.4
205.08740	1.6
221.06650	1.9
229.72203	0.6
233.09483	1.6
301.97891	0.5
313.18137	1.9
319.08307	0.8
323.09937	0.7
331.19238	20.3
332.19611	1.9
335.07965	2.4
337.09360	93.3
338.09723	8.7
349.20276	18.7
350.20520	0.8
353.08868	19.3
354.09375	2.4
363.93494	0.5
499.12585	12.8
500.12930	2.2
581.31085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	31.9
59.75532	0.2
62.38411	0.3
69.62376	1.6
69.62784	0.4
71.01271	1.8
71.04910	4.8
72.44256	0.2
81.03362	0.3
85.02826	1.3
87.00803	0.4
89.02331	0.9
93.03349	0.6
96.95906	1.0
97.02870	0.6
97.99916	0.4
101.02344	1.1
108.02134	0.4
109.02888	0.7
109.06490	0.5
111.04470	0.3
113.02371	1.7
113.28458	0.3
119.04954	0.7
121.06547	0.6
123.08083	19.0
124.08415	0.8
131.24109	0.3
133.10207	0.5
135.04483	2.1
137.02373	0.5
145.02904	1.7
146.03682	53.5
147.04103	2.4
147.08195	0.3
156.15402	0.3
161.06035	16.3
161.09671	1.4
161.10835	0.3
162.06386	0.8
162.54019	0.3
163.03981	2.0
164.04747	37.8
165.05087	1.8
173.04591	0.3
179.07106	100.0
180.07445	5.3
189.09163	2.3
191.05597	1.0
191.07103	13.0
192.07436	0.7
195.06693	0.7
201.12854	0.4
205.08687	12.2
206.09216	1.0
219.13896	1.0
221.08223	1.5
231.13954	0.7
237.07713	0.4
243.17668	0.4
245.11900	1.4
263.12927	1.1
275.12991	0.5
285.18723	1.9
303.19888	1.4
329.17654	97.0
330.18021	11.0
347.18732	26.4
347.22064	0.4
348.19028	3.1
356.13431	0.3
371.18839	0.5
389.19769	0.6
730.79431	1.1
731.30298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	1.5
59.01266	36.5
61.98291	0.6
61.98699	0.6
62.04381	0.7
62.47030	0.5
69.03314	0.5
71.01273	30.9
71.04910	21.4
72.01613	0.5
72.99203	1.7
73.02836	5.6
76.82749	0.5
78.95797	1.5
81.03335	0.8
83.01292	1.5
83.04911	0.7
85.02853	6.8
87.00777	2.5
89.02338	29.7
93.03362	1.1
93.71716	0.5
95.01294	1.7
96.95882	0.9
96.96856	1.1
97.02848	5.1
101.02351	25.7
102.02711	0.7
107.03410	0.6
107.04929	0.6
109.02870	2.4
111.04484	0.8
113.02366	12.7
119.03420	10.8
119.04904	0.9
123.08083	21.2
124.08456	0.9
125.02368	4.9
127.07568	5.7
129.41241	0.5
131.03426	2.1
133.10161	2.1
137.31827	0.5
143.03427	3.6
145.02881	0.8
145.10127	0.6
149.04497	0.7
149.05981	0.6
157.91628	0.6
161.04495	7.2
161.09758	0.6
163.03970	1.0
169.03416	0.5
173.04570	0.6
177.09213	0.9
179.05577	30.3
180.05942	1.6
189.09177	16.4
190.09468	1.5
191.05562	4.5
191.07132	8.4
193.15862	0.7
195.06734	0.6
201.12875	1.2
205.08684	10.7
206.09071	0.7
217.15987	1.9
219.13930	4.8
221.06573	5.4
221.08430	0.8
231.13957	3.0
233.09482	1.9
234.09836	0.7
245.11865	3.6
259.20724	1.2
263.12903	7.4
275.12970	1.9
285.18646	1.1
287.16479	0.9
303.19727	5.9
305.08743	1.4
323.10037	1.0
329.17648	68.7
330.17966	9.9
341.10956	1.1
347.18710	100.0
348.19101	12.6
371.18741	1.0
389.19986	0.8
401.39423	0.7
587.18671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2591
Annotation	Ilicifoline
Peak:m/z	Relative Intensity
53.66010	0.6
55.00352	0.4
59.01266	100.0
60.01607	0.9
60.50389	0.4
61.98715	0.7
69.52917	3.8
78.02377	0.4
78.95813	1.6
91.57751	0.5
99.04414	0.9
127.43240	0.6
133.02869	0.9
152.99533	1.2
161.02382	0.8
185.92108	0.5
191.05583	1.4
193.05070	0.6
218.63309	0.5
226.70238	0.5
255.31210	0.5
255.57507	0.5
480.15524	0.6
496.13718	3.9
497.13956	1.4
510.15359	2.0
511.16101	2.0
521.14532	1.0
527.19818	0.7
539.15442	4.8
540.16162	1.6
553.17407	7.6
554.17316	2.4
582.17059	0.6
583.18597	0.6
584.18793	0.6
585.19849	1.8
586.19452	0.7
597.20392	3.2
598.20819	8.9
599.20996	2.1
616.18469	1.6
630.19806	8.4
631.19586	1.7
639.20825	1.1
657.22858	0.6
671.12415	0.7
671.23822	15.5
672.24127	4.6
731.25909	87.5
732.26221	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	731.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21642	0.5
53.91335	0.5
59.01262	1.1
67.01772	1.2
69.03355	0.7
71.01268	1.9
72.99199	0.6
73.96709	0.5
77.03871	1.2
78.95783	1.6
81.03368	1.5
81.73458	0.5
83.04920	1.4
85.02855	1.1
86.07993	0.5
87.00785	1.5
89.03867	2.6
93.03359	15.2
95.04951	3.3
97.02808	0.6
105.03368	13.5
107.04940	0.9
109.02850	2.3
111.04424	4.7
117.03387	7.6
119.04937	0.8
121.02862	1.2
123.04435	1.6
125.09652	0.6
127.01595	0.5
127.03931	2.0
132.02106	1.5
133.02885	72.7
134.03674	86.8
135.04381	3.6
137.02361	8.5
139.21962	0.5
145.02888	1.1
147.04446	1.0
148.05211	2.7
149.02347	1.0
149.06013	9.9
150.03168	0.7
151.03894	0.7
152.99512	0.6
155.03448	11.0
160.01605	13.7
161.02429	2.5
163.03990	0.8
163.07626	1.5
164.09789	0.5
172.05251	0.6
173.04526	54.4
173.05951	3.1
174.04808	2.0
174.06285	0.8
175.03958	13.0
176.04303	1.1
177.01895	22.4
178.02617	3.2
179.03499	3.0
185.05986	0.6
191.05571	4.1
193.05038	100.0
194.05312	5.1
199.07620	1.1
228.15970	0.6
229.04990	1.1
229.61044	0.6
271.06104	0.7
279.23099	0.7
284.27570	0.5
309.18927	0.7
309.22318	2.0
319.08347	0.9
333.06036	1.1
334.06897	2.2
337.03473	0.6
337.21790	2.1
349.09357	81.1
350.09708	8.4
351.07251	3.3
363.19693	0.9
367.10626	1.0
381.20798	33.6
382.21155	3.6
405.20670	0.7
527.12372	3.1
537.25299	2.4
555.26111	19.3
556.26465	3.6
623.42493	0.7
710.31201	0.6
731.30847	4.2
732.31317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65513	0.1
59.01259	0.2
60.42937	0.1
62.11198	0.1
62.96298	0.2
69.41068	0.2
69.41483	0.7
71.07855	0.1
78.95793	64.1
92.78577	0.1
93.03352	0.3
95.96100	0.1
96.96864	50.0
111.53931	0.1
119.04923	0.2
119.23907	0.1
145.02840	0.1
163.04012	0.1
173.04478	0.2
191.05595	0.6
207.04269	0.9
227.31789	0.1
233.09494	100.0
234.09833	5.1
234.12253	0.2
249.09064	0.2
263.27258	0.1
265.08258	0.1
300.47192	0.1
408.75360	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	729.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.6
57.03336	0.3
59.01265	100.0
59.74533	0.2
60.01600	1.0
69.33723	2.4
71.01271	9.4
73.02834	3.5
76.61702	0.2
83.01276	1.3
85.02844	4.5
87.00789	0.4
89.02329	1.5
95.01308	0.8
99.00783	1.4
101.02346	5.2
113.02358	4.4
119.03407	0.5
125.02390	0.3
132.46970	0.2
135.04475	0.3
143.03477	0.6
159.03015	0.7
160.17235	0.2
161.02443	0.4
161.04498	3.9
229.14528	0.3
230.24234	0.2
301.03070	0.2
315.18182	11.2
316.18726	0.8
327.21869	2.8
328.22443	0.3
357.19250	5.0
358.19479	0.4
401.18747	0.3
680.12469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78319	1.3
57.03332	2.7
59.01270	27.8
61.98725	12.3
69.03368	1.7
71.01277	11.8
72.99194	2.1
73.02837	2.0
80.02565	2.2
81.03365	4.8
83.01268	1.5
83.04929	7.2
85.02862	5.2
87.00776	2.9
88.98698	1.6
89.02340	7.9
93.03371	3.0
95.01269	1.6
95.04953	2.0
96.95938	2.4
97.02855	12.7
97.06478	2.7
98.19851	3.3
99.00802	2.9
101.02348	9.3
107.04957	2.4
109.06512	46.8
110.03658	2.2
110.06844	1.9
111.04424	1.4
113.02374	6.1
114.08579	1.2
116.92802	1.8
119.03431	1.7
119.04939	1.5
121.06512	4.0
123.08086	2.0
125.09654	8.7
125.98157	1.3
134.03680	1.7
135.04474	1.9
135.08083	6.1
136.05260	2.7
137.02266	1.5
142.02638	4.6
151.03957	2.0
151.07605	1.4
161.02440	2.3
161.04543	2.9
161.09668	5.1
163.11237	26.3
171.10185	2.1
173.04518	1.9
175.11156	2.6
179.03462	2.4
179.10718	1.7
181.12318	7.4
185.11845	1.3
187.07602	2.0
187.09677	4.4
189.09227	2.6
191.05608	8.5
191.10741	1.8
195.06654	2.5
201.11307	3.3
207.10265	100.0
208.10587	5.7
209.11839	15.0
211.13293	1.8
219.10246	1.7
223.09760	3.3
223.13336	1.6
225.11339	51.9
226.11697	4.1
229.21173	1.3
235.08171	2.8
235.13409	2.2
249.14961	1.4
253.09279	8.4
263.12936	5.3
299.15286	1.3
327.19830	1.9
343.19495	1.7
353.21457	1.8
361.20172	2.1
371.18347	2.2
371.22394	3.5
379.19232	1.4
387.21655	2.8
389.19479	2.2
389.23862	1.9
397.20432	6.3
405.17508	2.9
415.21259	14.8
416.21887	1.7
433.22385	2.9
443.19489	2.1
459.85919	1.3
461.20331	10.9
565.24280	1.7
597.29376	3.0
607.27710	15.0
608.28180	1.6
622.33112	1.8
623.30707	1.8
625.28851	26.7
625.38727	1.0
626.29181	4.0
633.29321	12.8
634.29535	2.6
644.34497	1.3
651.30328	60.5
652.31158	10.5
669.31470	31.5
670.31866	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	729.336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52165	0.2
53.44063	0.2
59.01267	17.3
60.01586	0.2
61.98716	1.7
62.27718	0.1
69.03345	0.3
71.01273	2.0
71.04915	0.2
73.02837	1.6
78.95809	0.3
81.03361	0.9
85.02848	2.9
88.98716	0.2
89.02340	1.4
93.03373	0.5
96.95927	2.8
97.02871	0.3
98.95487	0.6
99.04441	0.2
101.02344	1.1
103.03916	0.5
108.02064	0.2
109.02882	0.2
113.02380	0.6
117.03368	0.6
117.05521	0.5
119.03421	0.5
119.04955	0.5
120.36286	0.2
121.02869	0.2
125.02370	0.2
132.02100	2.1
133.02896	2.0
133.05029	0.2
134.03668	31.9
135.03946	1.4
135.06570	2.3
136.01645	0.2
137.02379	0.7
139.04004	0.3
145.02887	0.5
148.05258	0.6
149.06029	14.0
150.06367	0.6
151.03990	0.2
151.07645	0.3
159.04456	0.3
160.01611	20.5
161.01955	0.9
163.03999	0.4
168.20389	0.2
173.04562	0.4
175.03967	30.2
176.04338	1.4
177.01901	0.7
178.02666	0.7
179.03435	0.7
179.05592	0.5
191.05562	0.9
193.05040	39.2
194.05405	2.0
195.06630	1.0
201.04062	0.4
210.06868	0.4
213.14903	0.3
225.09245	0.3
235.06070	0.6
237.07678	0.4
261.05911	0.3
263.07288	0.2
293.02118	0.2
296.09143	1.3
311.11438	100.0
312.11792	8.4
315.71930	0.2
327.08612	0.2
439.32068	0.6
440.32159	0.3
492.65680	0.2
507.13101	0.3
567.15271	0.4
698.82574	1.0
699.32629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18069	0.1
52.15955	0.1
55.01773	1.1
57.03344	1.4
58.00476	0.4
59.01268	29.9
60.01611	0.3
61.98717	0.9
67.01791	0.2
68.99723	0.2
69.03345	1.0
71.01273	14.7
71.63051	0.3
72.01620	0.2
72.99201	0.9
73.02840	5.2
75.00773	0.3
78.95813	0.2
81.03374	0.1
83.01278	2.9
84.02077	0.2
85.02849	9.8
85.99973	0.7
86.03201	0.2
87.00774	1.1
88.98708	0.1
89.02346	2.4
93.03330	0.2
95.01297	1.7
96.95919	0.6
97.02864	0.7
99.00797	2.6
101.02354	11.3
102.02674	0.1
111.00828	0.4
112.01587	0.4
113.02365	7.0
119.03438	0.6
119.04942	0.2
119.50204	0.1
125.02398	0.7
129.01884	0.3
131.03471	0.3
134.03680	1.7
135.04388	0.2
137.02373	0.3
139.77879	0.1
141.01854	0.1
143.03467	0.8
145.02907	0.2
149.06058	0.6
159.03001	0.9
159.04164	0.2
161.02415	0.3
161.04526	2.8
163.03951	0.4
173.04512	0.4
178.02663	0.5
179.03516	0.2
179.05498	0.2
191.05606	1.0
193.05057	3.9
195.06528	0.3
201.04111	0.2
208.03775	0.2
211.65282	0.1
230.28407	0.2
261.06250	0.3
275.23853	0.8
283.02451	0.2
284.03314	0.2
319.22949	0.5
362.73856	0.2
437.29175	0.5
463.27145	2.1
464.27621	0.3
481.28152	5.9
482.28513	0.9
487.27161	0.5
505.28217	0.4
523.29230	100.0
524.29565	16.6
547.29340	1.1
548.29633	0.4
551.16370	0.2
551.24957	0.2
675.18945	0.2
698.81104	0.4
729.29669	0.2
730.29742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99744	0.7
53.72195	0.9
55.01753	1.0
57.03322	3.2
58.00486	1.1
59.01267	26.2
61.98717	1.4
63.82565	0.7
67.01765	1.5
69.03336	2.9
71.00896	1.3
71.01274	23.0
71.60609	0.8
72.01590	0.9
72.99201	14.9
73.02852	4.8
75.00767	14.6
78.95805	9.5
83.01266	3.0
83.04893	1.0
84.02066	0.8
85.02845	28.0
87.00774	8.1
88.98670	1.1
89.02341	6.3
93.03354	6.8
95.01292	3.6
96.95918	6.1
96.96864	7.0
97.02856	14.0
97.06487	1.5
98.95518	2.1
99.00793	8.1
99.92485	1.1
101.02352	6.2
103.00269	8.2
107.01329	0.7
108.02089	1.0
109.02855	3.0
109.06509	1.0
111.00784	1.7
111.04435	1.5
113.02361	34.0
114.02679	1.4
115.00251	2.0
116.92777	1.8
117.01872	1.6
117.03354	1.0
119.04949	4.9
121.06521	1.3
123.08051	2.8
125.02348	1.9
127.03953	1.3
127.07575	33.4
128.07881	1.4
129.01869	3.0
131.03416	3.6
132.84811	0.7
133.01363	2.2
133.02800	0.8
134.03653	2.2
135.04465	1.3
137.02373	2.2
143.03545	1.0
143.05011	0.8
145.02881	2.0
147.04405	0.8
147.08118	0.8
151.03983	1.1
155.03439	2.0
157.01370	1.3
160.01566	0.9
161.09709	1.3
163.02573	1.3
163.03938	3.8
163.11224	1.4
165.05537	3.3
165.09106	2.5
173.04552	6.3
175.02507	6.2
175.35010	0.7
179.03491	1.8
179.70592	0.9
191.05557	21.2
191.07135	20.7
192.05891	1.0
192.07449	1.5
193.03514	28.8
193.05013	1.7
194.03842	1.3
203.14296	4.1
205.08691	14.8
206.09286	2.2
207.10225	2.7
211.07697	1.6
217.03511	1.5
221.08150	3.0
233.09494	13.4
234.09853	1.2
235.04623	17.5
255.02979	1.1
261.06186	1.7
269.19208	1.9
283.02640	1.6
284.03455	0.9
285.04254	3.7
285.18567	0.9
313.18213	17.2
314.18445	1.6
331.19238	65.5
332.19501	6.2
349.20300	100.0
350.20618	11.7
367.10464	1.0
379.08917	24.0
380.09119	1.4
381.64130	0.9
397.09976	50.9
398.10117	4.4
450.33536	0.9
465.11456	1.3
507.17194	2.7
694.63916	0.9
711.28357	1.1
729.29962	84.7
730.30286	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	728.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.1
59.01255	0.9
61.98723	1.0
65.04805	0.2
70.02593	0.9
71.01271	7.2
71.01672	0.4
83.04954	0.2
88.03938	1.1
91.01794	1.3
93.03360	10.0
94.03710	0.4
94.38223	0.2
97.02879	0.2
113.02306	0.2
114.01922	0.5
115.00291	9.9
116.00657	0.2
118.02905	11.4
119.03281	0.5
119.04971	0.2
120.04459	0.3
121.02859	0.6
132.02956	0.9
135.04469	0.4
136.03978	100.0
137.02388	5.3
137.04320	3.6
138.02724	0.2
146.06052	2.2
161.02364	0.8
162.05560	0.5
164.07138	5.6
171.10210	0.2
179.03360	0.3
189.12842	0.5
190.05096	0.5
191.05551	0.5
193.05058	0.2
201.11275	0.2
205.08734	0.3
208.06151	10.7
209.06485	0.5
209.11835	0.7
223.13431	0.4
234.04082	1.2
252.05173	8.4
253.05539	0.5
313.18188	2.4
314.18768	0.2
331.19226	0.3
396.09219	0.2
414.10431	1.4
613.27380	0.2
684.31250	0.5
710.28357	0.4
728.29401	34.6
729.29785	7.7
729.42914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.6
55.05537	0.4
57.03342	3.8
57.12519	0.5
57.37708	0.4
58.00484	0.4
59.01271	9.2
61.98732	3.8
67.01772	1.6
69.03336	1.1
69.39401	2.2
69.39835	2.2
71.01277	15.1
72.99210	4.7
73.02842	1.7
75.00766	4.5
78.95803	1.7
83.01279	3.4
84.40083	0.4
85.02847	5.9
87.00780	10.2
89.02341	5.4
93.03383	1.2
96.95946	2.3
97.02873	1.1
98.19783	0.9
98.95551	0.5
99.00783	1.7
101.02349	3.6
103.00281	4.3
105.01849	51.6
106.04201	0.6
108.02117	0.8
111.00790	7.5
113.02347	4.1
115.03929	2.2
119.03445	0.5
119.04967	1.1
121.02908	0.8
123.04429	1.1
125.02382	0.6
129.01874	20.4
130.02290	0.6
130.58435	0.5
131.03416	0.8
133.02896	1.5
134.03673	75.3
135.04054	2.2
137.02379	4.3
139.03951	1.4
145.05081	0.5
147.02934	11.3
147.04317	0.9
149.06035	29.1
150.03206	0.6
150.06364	1.0
152.01146	0.7
159.02968	1.1
160.01657	2.0
161.02449	2.3
161.04488	1.0
163.03992	0.9
167.03491	1.4
173.04536	1.4
175.03967	3.8
176.04802	2.6
177.04019	45.5
178.02693	20.1
178.04251	1.3
179.03432	3.0
191.05577	3.5
191.07161	1.9
193.05048	100.0
194.05490	5.4
195.06578	0.5
195.13899	1.3
201.04019	0.7
209.08235	2.6
213.14966	1.7
217.05104	0.6
218.92601	0.5
233.08255	1.3
235.06142	2.9
265.07498	0.6
305.06781	0.8
323.07791	1.8
353.08868	27.7
354.09189	2.3
355.59552	0.5
357.19263	2.5
375.20380	7.9
376.20505	0.6
417.21381	0.6
498.17480	0.5
523.28912	1.6
551.25165	2.7
663.27173	0.5
668.40399	0.5
698.81152	0.7
699.30713	0.9
729.29932	66.5
730.30249	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	727.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00488	0.3
59.01264	14.1
59.54752	0.3
61.96394	0.3
71.01276	1.5
78.83747	0.3
78.95800	2.1
79.33555	0.3
89.02366	0.8
92.43311	0.3
99.08121	0.4
101.02366	1.3
110.42057	0.3
113.02347	0.7
125.09622	0.8
127.11215	1.4
152.99492	2.1
153.09122	0.4
161.04466	0.6
171.10220	100.0
172.10558	4.8
179.05498	0.4
201.11232	0.4
210.18422	0.3
225.11395	0.5
235.08215	1.8
253.09360	5.3
255.23332	4.8
256.23651	0.5
277.21774	47.8
278.22113	4.4
284.94128	0.3
403.92151	0.3
407.19269	3.1
513.30585	0.7
581.34662	0.4
637.37335	1.4
709.39362	1.3
727.41138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05302	0.5
59.01265	20.8
59.38485	0.5
65.09276	0.4
70.10291	0.4
71.01273	2.2
71.57203	0.8
73.02856	0.5
75.37759	0.4
78.95790	4.3
80.02425	0.5
84.79572	0.5
85.02856	1.2
88.87029	0.5
89.02342	1.0
96.96861	0.6
97.51088	0.5
99.96336	0.5
101.02364	1.7
109.94946	0.6
113.02328	1.2
125.09605	0.8
127.11199	1.8
152.99530	4.2
161.04530	0.7
171.00618	0.6
171.10222	83.3
172.10570	4.4
199.09625	0.6
225.11313	1.2
235.08247	3.4
253.09370	7.1
255.23341	11.3
256.23511	0.8
261.19058	0.7
277.21774	100.0
278.22104	9.0
281.24850	0.9
347.02570	0.6
407.19119	1.2
513.30548	1.6
637.37073	3.9
709.39655	1.9
727.40961	2.3
727.97705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.8
58.69293	0.6
59.01267	35.3
59.52268	0.6
61.18641	0.6
61.98714	1.2
63.22367	0.5
69.52539	3.0
69.52962	2.5
71.01277	3.7
73.02811	1.0
74.04456	0.6
78.41674	0.6
78.95821	1.2
80.96410	1.7
85.02859	1.4
87.00784	1.2
89.02336	2.9
90.20053	0.6
93.03373	0.8
93.63610	0.6
94.62424	0.6
97.06460	1.5
101.02338	3.4
113.02364	1.3
122.84477	0.6
125.09679	0.8
127.11153	0.8
151.11234	3.8
152.07910	0.7
161.04536	1.0
168.20013	0.6
169.12300	29.1
170.12669	1.5
171.10226	84.9
172.10565	5.3
191.05588	3.6
213.11331	3.3
231.12439	2.5
235.08195	1.3
253.09303	4.4
277.21793	33.7
278.22174	3.9
311.16919	1.3
331.19342	1.1
407.19424	1.8
449.19852	0.8
467.21460	3.2
709.42004	4.4
727.42914	100.0
728.43256	25.0
728.56622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37641	0.2
59.01260	3.4
61.98717	5.9
65.24908	0.2
66.82004	0.3
69.03335	0.5
69.03820	0.2
69.58814	1.9
70.55996	0.2
71.01266	0.9
73.02834	0.4
78.95793	0.4
80.50060	0.3
85.02838	0.8
87.00764	0.3
89.03831	0.3
93.03277	0.2
96.95921	0.5
97.02860	0.7
101.02362	0.7
105.03353	0.4
109.06561	0.3
113.02361	0.4
115.01767	0.3
117.03364	0.8
123.04408	0.4
132.02074	2.3
133.02881	37.7
134.03731	1.3
135.04445	14.7
135.20531	0.2
136.04797	0.6
137.02376	0.5
141.71805	0.3
143.03404	0.4
144.24123	0.2
146.57993	0.3
153.93817	0.2
159.04489	0.5
161.02388	100.0
162.02730	5.3
163.03972	0.3
173.04544	0.4
178.02867	0.3
179.03465	7.7
180.03810	0.5
191.05653	0.8
191.07202	0.3
196.36079	0.2
206.08943	0.3
207.10275	0.6
208.95259	0.2
214.87805	0.2
223.13358	0.6
254.85229	0.2
277.12860	0.2
309.20911	0.2
319.22861	4.0
331.19110	1.0
332.19617	1.1
333.19962	0.4
399.32281	0.2
479.19284	2.9
480.19568	0.5
641.29724	1.5
642.30450	0.4
649.32544	0.4
683.30853	57.0
684.31213	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	727.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.8
66.01747	0.2
67.01750	0.4
67.02390	0.2
71.01280	0.6
71.22620	0.5
81.03322	0.4
85.02840	5.4
87.00742	1.4
90.77275	0.2
93.03362	2.3
109.02885	0.6
111.04414	0.8
125.02376	0.9
127.03929	1.5
133.02834	0.5
135.04462	0.8
143.03357	0.3
161.02380	1.7
169.17795	0.3
171.02953	0.5
173.04521	1.2
179.03439	0.7
190.52850	0.2
191.05583	100.0
192.05943	3.4
228.35971	0.3
307.92200	0.3
350.43549	0.3
353.08856	12.1
354.09262	1.0
423.69232	0.3
475.55676	0.3
513.23962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.1
59.01261	2.5
59.28994	0.1
61.98706	0.5
68.80478	0.1
71.01283	0.9
71.27251	0.2
71.27576	0.2
73.02834	0.3
77.03879	0.2
78.35809	0.1
80.57535	0.1
82.55149	0.1
85.02850	0.5
87.00757	0.2
89.02357	0.2
89.03853	0.2
96.95901	0.3
97.50595	0.1
101.02345	0.4
104.02594	0.2
105.03349	0.4
107.04938	0.2
109.02795	0.2
113.02362	0.3
115.01836	0.3
117.03381	0.7
123.04445	0.2
132.02077	2.4
133.02878	39.6
134.03416	1.0
135.04443	12.2
136.04773	0.4
137.02365	0.2
159.04477	0.7
160.01680	0.1
161.02383	100.0
162.02724	4.7
167.03453	0.2
179.03452	7.3
180.03798	0.3
193.05069	0.2
203.03452	0.7
250.27242	0.1
317.21255	0.6
366.81299	0.2
641.29797	2.4
642.29980	0.4
683.30829	61.4
684.31189	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	725.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.8
57.03340	4.2
59.01271	7.6
61.98721	0.8
69.03359	1.0
71.01276	6.8
72.99203	0.6
73.02837	1.7
75.00759	1.8
78.95801	8.1
81.03337	0.5
83.01280	0.9
83.04911	0.8
85.02845	2.3
87.00766	1.8
88.25375	0.4
89.02333	2.5
95.04918	1.0
96.96875	1.2
97.02898	0.5
97.06469	2.8
98.20598	0.7
99.00784	0.7
101.02352	4.6
109.06506	1.0
110.66403	0.6
113.02354	2.7
123.08078	1.7
125.09664	3.8
126.44461	0.4
127.07569	0.5
127.11211	0.7
137.09682	0.6
139.11229	3.1
141.12802	1.1
148.55563	0.5
149.97409	0.4
152.99535	12.4
155.10706	0.7
161.04486	1.6
163.11266	1.1
167.10738	6.1
171.00589	1.4
171.10243	11.0
172.10684	0.6
181.12338	0.6
185.11810	60.6
186.12143	3.5
191.05576	1.2
199.09753	0.5
201.11310	3.2
207.10266	1.7
209.11852	3.2
210.12177	1.3
211.09795	1.1
215.12943	0.6
225.11423	3.4
226.11740	0.5
227.03319	1.1
227.12872	1.4
228.13336	0.7
229.10829	1.5
235.08238	1.9
243.12450	0.7
253.09375	4.6
253.21761	2.0
261.13467	1.0
271.21298	0.5
277.21802	78.9
278.22162	8.8
279.23206	2.0
379.11874	0.8
383.61865	0.5
399.14420	3.6
447.18338	0.6
453.15427	2.4
465.19867	0.8
471.16553	4.2
472.16577	0.7
489.17477	1.9
530.23553	0.5
635.36060	2.4
636.36670	0.9
689.36536	1.7
707.38055	7.4
708.38379	1.6
725.41315	100.0
726.29120	0.8
726.41565	25.7
758.85864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	0.4
57.03340	2.5
59.01263	6.8
61.98693	0.9
69.03350	1.1
71.01276	6.2
73.02850	1.4
75.00756	3.1
78.95799	7.0
83.01286	0.7
85.02858	1.7
87.00774	0.8
89.02322	2.4
96.96881	0.5
97.06488	0.6
98.20580	1.0
101.02373	3.6
101.05289	0.5
102.65532	0.5
113.02352	1.8
119.03397	0.7
123.08092	0.8
125.09642	2.8
139.11217	1.8
141.12775	1.9
143.03473	0.6
152.98354	0.5
152.99521	8.7
155.10692	0.9
161.04489	0.9
163.11229	1.3
167.10748	3.4
171.00615	0.8
171.10229	8.4
172.10580	0.6
185.11800	100.0
186.12129	4.2
191.05537	1.4
201.11313	2.1
207.10196	1.3
209.11815	2.7
211.09836	0.7
225.11346	2.4
227.03185	0.8
229.10851	1.6
229.22574	0.9
229.24750	0.6
235.08195	1.0
253.09312	4.9
253.21790	2.2
277.21780	29.3
278.22119	4.6
279.23233	1.6
280.23737	0.4
323.73532	0.4
399.14227	1.6
447.19031	0.6
453.15509	2.4
465.20023	2.1
471.16367	4.3
489.17450	0.9
627.27795	0.5
635.35748	0.9
689.37140	1.7
707.37860	7.6
708.38342	2.1
725.41321	89.7
726.41663	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	725.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.1
57.03337	2.1
58.00494	1.1
59.01265	22.2
60.01606	0.8
61.98714	3.5
69.03344	1.9
71.01270	22.0
71.01666	1.2
72.99191	1.7
73.02839	9.4
75.00758	1.2
78.95799	3.1
83.01266	4.4
85.02847	17.4
85.99953	1.1
86.03138	0.8
87.00769	3.2
87.04449	0.9
89.02347	8.5
93.03373	9.1
95.01295	2.4
96.95943	5.0
97.02864	1.5
99.00786	3.1
101.02355	22.6
108.02081	1.3
109.02893	0.9
111.00775	2.5
111.04443	2.0
113.02357	10.3
117.03381	1.4
119.03436	2.5
119.04945	8.0
121.02837	1.4
123.04407	1.5
125.02339	1.2
129.01877	1.2
132.02170	0.8
133.02869	2.4
134.03685	15.8
135.04495	3.9
137.02373	3.6
141.01826	0.9
145.02872	4.1
149.06049	2.9
151.03926	0.9
152.99588	1.0
155.03436	2.7
159.02896	1.9
160.01582	3.7
161.02356	2.5
161.04526	4.5
163.03961	5.2
171.10252	6.4
173.04523	11.6
174.04825	1.0
175.03964	5.1
175.21565	0.9
177.01859	2.0
178.02739	2.1
179.03464	2.2
181.12285	1.0
183.13843	1.4
191.05591	22.8
192.05783	1.4
193.05031	13.9
195.06606	1.2
211.07587	2.4
225.11385	1.4
283.09711	1.4
285.04007	1.0
291.12405	1.5
300.02448	1.2
301.02798	1.0
319.08279	1.6
327.08832	3.7
327.21838	25.2
328.22241	2.6
337.09235	1.2
355.10431	10.0
356.10770	1.4
369.15643	2.0
411.32095	1.0
415.14551	6.0
427.31873	1.8
435.80939	0.8
439.32355	2.0
441.64993	0.8
459.34888	6.7
464.64514	0.8
470.98276	0.9
472.65311	1.0
485.32785	1.0
486.33270	0.9
491.21127	1.6
501.14880	0.9
503.33356	1.2
621.40515	8.3
622.39819	1.9
665.39203	100.0
666.39557	24.8
681.39362	1.8
683.38708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.1
57.03337	2.1
58.00494	1.1
59.01265	22.2
60.01606	0.8
61.98714	3.5
69.03344	1.9
71.01270	22.0
71.01666	1.2
72.99191	1.7
73.02839	9.4
75.00758	1.2
78.95799	3.1
83.01266	4.4
85.02847	17.4
85.99953	1.1
86.03138	0.8
87.00769	3.2
87.04449	0.9
89.02347	8.5
93.03373	9.1
95.01295	2.4
96.95943	5.0
97.02864	1.5
99.00786	3.1
101.02355	22.6
108.02081	1.3
109.02893	0.9
111.00775	2.5
111.04443	2.0
113.02357	10.3
117.03381	1.4
119.03436	2.5
119.04945	8.0
121.02837	1.4
123.04407	1.5
125.02339	1.2
129.01877	1.2
132.02170	0.8
133.02869	2.4
134.03685	15.8
135.04495	3.9
137.02373	3.6
141.01826	0.9
145.02872	4.1
149.06049	2.9
151.03926	0.9
152.99588	1.0
155.03436	2.7
159.02896	1.9
160.01582	3.7
161.02356	2.5
161.04526	4.5
163.03961	5.2
171.10252	6.4
173.04523	11.6
174.04825	1.0
175.03964	5.1
175.21565	0.9
177.01859	2.0
178.02739	2.1
179.03464	2.2
181.12285	1.0
183.13843	1.4
191.05591	22.8
192.05783	1.4
193.05031	13.9
195.06606	1.2
211.07587	2.4
225.11385	1.4
283.09711	1.4
285.04007	1.0
291.12405	1.5
300.02448	1.2
301.02798	1.0
319.08279	1.6
327.08832	3.7
327.21838	25.2
328.22241	2.6
337.09235	1.2
355.10431	10.0
356.10770	1.4
369.15643	2.0
411.32095	1.0
415.14551	6.0
427.31873	1.8
435.80939	0.8
439.32355	2.0
441.64993	0.8
459.34888	6.7
464.64514	0.8
470.98276	0.9
472.65311	1.0
485.32785	1.0
486.33270	0.9
491.21127	1.6
501.14880	0.9
503.33356	1.2
621.40515	8.3
622.39819	1.9
665.39203	100.0
666.39557	24.8
681.39362	1.8
683.38708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.9
57.03342	2.9
59.01264	7.5
67.01738	0.6
69.03342	0.7
69.26550	3.6
69.26971	1.6
71.00895	0.9
71.01273	14.2
72.99190	2.1
73.02839	3.6
75.00764	15.8
78.95804	5.8
81.03368	0.4
83.01303	2.2
83.04906	0.6
85.02849	19.0
87.00779	4.1
88.98734	0.4
89.02337	1.7
93.03352	2.1
95.01292	2.3
96.95948	2.2
96.96861	4.3
97.02843	0.5
98.95464	0.7
99.00781	6.8
101.02349	4.9
103.00280	0.5
107.80946	0.4
111.00750	0.7
111.04423	0.5
113.02361	18.4
115.00272	1.6
117.01864	1.1
119.04955	0.9
125.02442	0.7
129.01848	0.6
131.03375	0.8
134.03683	0.5
135.04398	0.7
137.02382	0.6
145.02959	2.1
157.01357	0.9
159.02995	0.5
161.02412	0.7
161.04482	2.2
163.03893	0.9
173.04521	1.8
175.02406	1.4
191.05592	4.2
211.34703	0.5
217.03363	0.5
218.85364	0.5
233.09480	1.6
234.09946	0.5
265.08554	2.2
315.18097	0.7
327.08923	0.6
373.18353	0.6
406.76212	0.5
491.21466	100.0
492.21774	10.9
622.37805	0.5
625.69836	0.5
678.50195	1.4
681.27905	0.8
725.30573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.2
59.01258	1.0
67.01769	0.4
69.03330	0.2
69.90383	0.6
71.01266	0.6
72.99198	0.2
73.02841	0.2
79.95621	0.2
81.03371	0.2
83.04907	0.3
85.02847	5.7
86.03195	0.1
87.00770	1.5
89.02351	0.1
93.03365	4.2
94.03709	0.2
94.83772	0.1
95.01350	0.1
96.95917	4.2
97.43308	0.1
98.20500	0.1
99.00768	0.2
99.04427	0.3
101.02340	0.1
108.02090	0.5
109.02866	0.7
111.04427	1.2
113.02358	0.1
117.03368	0.1
119.04942	0.9
121.02872	0.2
123.04426	0.2
127.03939	1.6
133.02884	0.4
135.04454	0.3
137.02344	0.2
143.03526	0.1
145.02901	0.7
151.03926	0.7
152.01083	0.1
153.01840	0.1
155.03448	0.2
160.01622	0.1
163.03969	1.4
171.02972	0.5
173.04520	1.8
177.01852	0.3
178.02652	0.2
191.05591	100.0
192.05927	4.3
192.07700	0.2
193.06062	0.4
195.02969	0.2
337.09378	22.5
338.09680	2.0
346.68945	0.1
353.09018	0.1
369.08334	0.2
380.93375	0.1
387.09521	0.3
387.16458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77602	0.4
54.86232	0.3
57.03339	0.6
58.00504	0.5
59.01268	17.8
59.18743	0.3
60.99189	0.9
66.25050	0.3
67.01774	2.6
69.03339	0.8
69.43105	0.9
69.43512	2.7
71.01270	4.9
73.02847	0.6
81.03343	0.8
81.87740	0.4
83.04911	0.7
85.02848	6.9
86.93762	0.4
87.00773	6.2
89.02345	3.3
93.03361	19.8
96.95879	0.4
99.00718	0.4
101.02361	3.6
105.27779	0.4
108.02083	0.6
109.02865	0.8
111.04428	2.9
113.02353	2.0
119.03423	1.5
119.04935	5.7
123.04406	0.4
127.03943	1.9
129.01910	0.6
133.02861	1.4
134.03662	0.5
135.04465	1.0
137.02396	1.0
145.02840	0.9
151.03999	1.8
155.03485	0.6
159.05385	0.4
163.03966	5.7
163.11243	11.1
164.04245	0.4
164.11523	0.8
171.03001	0.8
173.04497	6.2
177.01942	2.9
179.03442	0.8
191.05586	100.0
192.05922	3.2
195.02989	0.4
225.58688	0.3
227.39209	0.4
279.06754	0.8
305.04553	0.8
323.05750	0.6
337.09357	22.0
338.09613	1.7
341.06787	0.5
343.17679	0.6
348.94922	0.4
359.07803	0.4
373.32419	0.4
387.16702	66.0
388.16937	5.1
472.47443	0.4
691.19287	0.7
725.19904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61859	0.1
55.01788	0.2
57.03345	0.2
58.22709	0.1
59.01270	1.1
69.03349	0.2
69.30343	0.4
69.30763	1.0
71.01272	2.8
71.85725	0.1
72.99162	0.1
73.02839	1.2
77.03867	0.3
81.63118	0.1
83.01271	0.3
85.02847	1.2
87.00759	0.3
89.02345	0.6
89.03882	0.4
91.05469	0.2
93.03360	0.3
95.01283	0.2
96.95924	0.2
97.02856	0.3
99.00784	0.9
101.02338	1.7
105.03377	0.5
106.04188	0.1
107.04937	1.1
108.02056	0.2
113.02351	0.7
115.01838	0.3
115.03944	0.1
117.03409	1.6
117.04208	0.2
123.04453	0.4
125.02364	0.3
127.38561	0.1
131.03548	0.1
132.02107	1.7
133.02884	33.9
134.03745	3.5
135.04449	51.4
136.04781	2.4
137.02385	0.3
143.03410	0.2
149.06021	0.4
159.02924	0.3
160.01595	0.2
161.02393	100.0
162.02730	5.5
175.03949	0.6
179.03464	31.1
180.03821	1.4
191.05563	0.2
193.05046	0.3
202.16783	0.1
233.06667	0.2
234.99318	0.1
269.10376	1.1
299.02118	0.3
321.70169	0.1
339.16895	0.1
368.37888	0.1
381.77493	0.1
401.14713	0.6
447.97400	0.1
545.16547	1.3
546.16772	0.2
563.17816	45.8
564.18152	6.7
589.15027	0.3
725.21021	31.0
726.21362	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	725.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55716	0.4
59.01261	3.6
60.37095	0.4
60.40082	0.3
61.98705	1.0
68.36656	0.3
69.40491	1.1
69.40917	1.9
71.01280	3.1
73.02828	1.2
78.80763	0.3
78.95788	0.8
83.01279	0.5
85.02840	2.0
85.88696	0.3
86.04366	0.3
87.00767	0.5
89.02350	1.1
89.03867	0.5
91.05415	0.5
93.03377	0.8
96.95918	7.1
97.02855	0.4
99.00797	1.0
101.02347	2.5
105.03384	0.5
107.04962	0.8
113.02368	1.8
117.03393	1.4
119.04903	0.4
120.09422	0.3
121.02911	0.4
123.04456	0.7
125.02378	0.7
132.02104	1.9
132.95401	0.3
133.02882	36.2
134.03734	4.2
135.04449	58.6
136.04779	2.2
137.02399	0.7
147.04440	0.4
149.05957	0.5
151.00412	0.4
151.07596	0.4
152.99525	0.6
161.02390	100.0
162.02734	5.9
163.03963	0.4
173.04553	0.8
175.03961	0.5
179.03464	32.5
180.03802	1.3
191.05612	3.0
193.05000	0.8
195.06575	1.6
255.03168	0.5
269.10352	1.2
271.02536	0.8
299.01953	1.0
300.02896	0.6
353.08737	0.6
357.11996	0.4
545.17084	1.5
563.17804	52.5
564.09393	0.5
564.18164	9.0
578.52820	0.4
681.27582	0.4
725.20996	29.4
726.21149	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	725.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.3
63.02296	0.3
65.00214	0.4
70.93247	0.5
77.67655	0.2
83.01269	0.5
85.02784	0.2
93.03355	0.8
107.01286	1.2
108.02086	0.4
109.02863	0.2
113.98042	0.2
117.03397	0.3
119.04945	0.3
121.94121	0.2
123.00829	0.2
125.02411	0.3
132.02142	0.2
133.16681	0.2
135.00829	0.3
137.02315	0.2
143.04959	0.4
151.00316	1.9
152.01051	0.6
153.01883	0.3
154.04102	0.2
155.04993	0.3
157.06546	0.3
159.04414	0.5
163.00319	0.9
163.03973	0.4
165.01884	0.4
167.04987	0.3
169.01285	0.2
169.06555	0.8
171.04425	0.3
175.04022	0.3
178.99736	0.2
183.04456	0.8
185.06023	1.2
187.03986	1.0
189.05559	0.6
190.84134	0.2
191.05624	0.9
195.04570	0.2
195.06612	0.5
197.05937	0.3
199.04012	0.3
211.04054	1.5
212.04591	0.2
213.05557	1.1
214.02629	0.3
215.03407	0.5
227.03506	10.1
228.03877	0.9
229.05045	3.0
230.58414	0.2
239.03564	1.0
240.04070	0.3
241.05109	0.6
243.03000	0.5
255.03038	27.4
256.03519	3.6
257.04587	2.3
267.03088	0.2
269.04367	0.3
283.02557	22.5
284.03317	30.2
285.04102	61.6
286.04477	5.0
327.05350	1.0
357.11929	0.2
370.92508	0.2
416.07648	1.7
417.08286	0.6
593.15253	100.0
594.15625	15.6
725.19293	3.5
726.19849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1739
Annotation	cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside
Peak:m/z	Relative Intensity
57.32585	0.6
59.01268	3.0
60.01649	0.5
60.31329	0.5
61.98738	0.8
63.02285	1.1
65.00212	0.8
67.01780	0.7
71.58276	0.9
72.99212	0.8
73.02831	0.6
75.00810	0.8
81.83805	0.6
82.83492	0.5
83.01303	1.2
85.02851	1.5
87.00793	0.9
88.75618	0.6
89.02341	0.8
93.03368	5.8
96.95919	1.9
107.01304	2.6
109.02885	1.5
113.02371	1.2
117.03371	4.2
117.47923	0.5
119.04947	12.8
119.05736	0.9
120.05243	0.8
122.21250	0.5
133.02847	0.6
134.03680	1.5
135.00812	1.2
135.04477	2.0
137.02373	1.4
143.04927	0.8
145.02895	8.8
147.04485	0.6
147.83728	0.5
149.06187	0.5
151.00322	4.8
153.01949	0.9
159.04341	1.1
161.02348	1.1
163.00343	1.9
163.03951	10.8
164.01120	1.2
164.04366	0.6
169.06566	1.0
173.04575	3.2
173.05878	0.6
177.01897	0.7
179.03497	0.9
183.04509	0.7
185.04619	0.5
185.06082	2.6
187.03999	2.3
189.05574	1.0
191.05580	10.3
191.07156	1.0
192.05844	1.0
193.05037	1.4
195.04546	0.9
197.06113	0.9
199.03902	1.4
200.04694	0.6
205.05046	0.7
211.04030	2.1
213.05602	2.4
227.03516	19.8
228.03894	1.7
229.05061	10.1
239.03534	2.5
240.04327	0.6
241.05086	2.1
243.03186	0.6
255.03032	39.0
256.03629	5.7
257.02139	0.9
257.04599	7.0
258.04904	0.6
267.03128	1.3
281.26352	0.5
282.15564	0.5
283.02676	1.0
284.00064	0.8
284.03348	51.6
285.04111	100.0
286.04492	9.5
319.07965	0.6
327.05139	1.3
327.08698	0.9
337.09442	1.2
422.23874	0.6
439.12546	2.2
561.12628	9.6
562.13153	1.5
577.19208	0.7
579.13708	34.3
580.13861	5.4
681.27118	0.7
725.17377	41.6
726.17749	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	723.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.3
57.03343	0.2
58.00494	0.2
59.01265	4.5
60.01602	0.1
61.98721	0.1
63.48428	0.1
69.03352	0.1
71.01271	3.7
71.04901	0.1
71.58850	0.1
72.99199	0.3
73.02834	1.1
78.95801	0.2
80.02570	0.7
81.03352	1.0
83.01271	0.7
83.04917	3.9
84.02051	0.5
84.05247	0.1
85.02846	1.2
85.99976	0.1
87.00762	1.1
87.04435	0.1
88.89137	0.1
89.02343	2.0
91.06034	0.1
93.03374	0.1
95.01292	0.3
95.04944	0.5
97.02850	0.3
97.06497	0.2
99.00795	0.2
101.02351	3.4
103.03960	0.1
109.06550	0.2
111.04416	0.1
111.08046	0.1
113.02369	1.7
113.06013	0.1
119.03426	0.6
122.24842	0.1
123.08070	0.1
125.02393	0.1
125.06005	0.4
125.09646	0.1
127.07574	0.2
129.06396	0.1
131.03500	0.1
133.05028	0.2
135.08107	0.6
143.03459	0.2
145.04990	0.8
147.11703	0.2
152.99521	0.4
155.10811	0.1
158.70728	0.1
161.04509	1.3
161.09618	0.1
163.11237	2.8
164.11519	0.1
165.12837	1.7
166.13196	0.1
169.22464	0.1
170.40556	0.1
179.05606	0.3
181.12247	0.5
191.10806	0.8
199.13277	0.1
207.10219	0.1
209.11829	76.5
210.12157	4.5
216.96031	0.1
225.11346	0.1
227.12904	9.6
228.13191	0.6
233.22739	0.4
235.08253	5.8
236.08557	0.3
253.09332	8.6
254.09680	0.4
259.20718	0.3
275.20236	0.4
277.21790	100.0
278.22131	10.4
278.25446	0.2
279.22891	0.1
287.04749	0.1
445.20929	0.5
469.14642	0.2
513.30823	0.3
514.31104	0.1
705.36188	0.3
706.36560	0.1
723.44855	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	723.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62085	0.1
55.01774	0.2
57.03344	0.1
58.00489	0.1
59.01267	2.9
59.12391	0.1
67.79943	0.1
70.01733	0.5
71.01273	2.2
71.14175	0.1
72.99209	0.2
73.02837	0.4
78.95795	0.1
80.02573	0.9
81.03355	1.0
83.01275	0.6
83.04919	4.5
84.02061	0.7
84.05253	0.1
85.02829	0.6
87.00757	0.4
87.29971	0.1
89.02341	1.8
93.03361	0.1
95.01283	0.3
95.04939	0.5
95.41330	0.1
97.02852	0.2
97.06466	0.2
99.00812	0.1
101.02351	1.9
101.82731	0.1
101.95625	0.1
107.04948	0.1
109.06518	0.2
113.02361	1.2
113.79916	0.1
115.03977	0.1
119.03467	0.4
125.02393	0.1
125.05994	0.6
125.09654	0.1
126.23875	0.1
127.07594	0.1
131.79152	0.1
133.05009	0.1
135.08113	0.5
143.03442	0.3
145.05002	0.1
147.11778	0.3
152.99530	0.2
153.12849	0.1
161.04521	0.8
163.11244	3.4
164.11537	0.2
165.12808	1.8
166.13139	0.1
168.90742	0.1
179.05525	0.4
181.12300	0.5
191.10762	0.8
209.11826	100.0
210.12163	6.7
225.11351	0.2
226.11517	0.1
227.12900	11.1
228.13319	0.7
233.22896	0.2
235.08246	1.1
248.75252	0.1
253.09340	7.6
254.09689	0.3
259.20685	0.2
275.20108	0.1
277.21786	48.7
278.22131	5.0
279.22525	0.1
359.07797	0.1
414.88864	0.1
416.16486	0.1
445.20917	1.1
446.21390	0.1
463.21722	0.1
513.31769	0.1
705.35889	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	723.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	100.0
61.98718	65.2
62.39984	3.1
71.01273	9.2
71.59655	3.4
78.95798	3.4
85.02859	7.4
88.98702	6.0
89.02347	3.4
93.03379	6.5
96.63635	2.9
96.95914	6.9
113.02274	3.1
117.11168	3.3
133.02864	4.2
134.03722	4.9
135.04425	11.4
137.02405	6.4
149.06012	11.5
151.03947	4.5
161.02322	4.5
171.00436	3.0
173.04506	7.9
178.70221	3.1
179.03429	8.4
181.04996	4.0
182.05873	3.4
191.05594	14.5
195.06659	3.4
196.07452	5.5
208.19249	2.9
209.11769	3.4
213.14934	11.7
214.15117	3.3
221.23146	3.2
239.44177	3.9
240.90559	3.4
303.62280	2.8
313.18204	7.9
345.60059	4.0
443.11325	3.7
480.60568	3.6
520.34686	3.2
626.26782	4.5
663.40759	4.0
723.32507	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	723.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94685	0.3
59.01266	3.6
61.98706	0.5
71.01270	3.5
71.57927	0.3
73.02836	0.5
76.01657	0.2
78.95804	0.9
80.02569	1.1
81.03349	0.8
81.20404	0.2
83.01265	0.4
83.04914	4.4
84.02065	0.4
85.02848	0.9
87.00779	0.8
89.02340	1.7
95.04906	0.8
97.06498	0.2
101.02351	2.7
101.95071	0.2
109.06527	0.3
113.02351	1.6
119.03368	0.3
125.06002	0.4
132.52342	0.2
133.04993	0.2
135.08095	0.8
145.04996	0.4
152.99498	0.7
161.04503	1.4
163.11241	3.5
164.11571	0.4
165.12816	2.4
179.05571	0.7
181.12227	0.4
183.92297	0.2
191.10799	0.6
201.11443	0.2
207.10236	0.4
209.11819	100.0
210.12146	6.9
225.11336	0.3
227.12900	11.4
228.13261	0.8
233.22754	0.3
235.08221	3.4
253.09323	8.8
254.09711	0.7
255.23228	0.3
259.21133	0.3
275.20108	0.4
277.21786	78.1
278.22131	7.6
279.23209	0.4
288.72342	0.3
445.20966	1.0
446.21573	0.3
494.65369	0.2
513.30615	0.4
542.74017	0.3
723.43604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.6
59.01273	0.3
65.00199	0.6
67.99361	0.1
69.03371	0.1
71.04897	0.3
71.21971	0.1
71.28595	0.2
73.69823	0.1
81.03347	3.2
83.01285	0.8
85.06499	0.5
85.79049	0.1
87.04420	0.4
95.01266	0.1
97.31689	0.1
107.01309	0.4
107.04970	0.1
108.02105	0.1
109.02896	0.1
109.06495	2.0
109.07252	0.1
111.04426	3.1
121.02867	0.2
122.03656	1.4
123.04464	0.1
123.08072	3.1
124.08377	0.2
125.02370	4.7
126.02753	0.1
127.07568	0.3
133.06575	0.1
135.04561	0.2
139.03922	0.2
145.77974	0.1
149.02406	0.6
151.00351	1.0
151.07588	26.5
152.01103	0.2
152.07919	1.2
153.05518	0.3
161.09598	0.2
163.03882	0.1
167.03464	0.2
177.05606	0.7
179.57861	0.1
191.07117	1.9
195.06607	100.0
196.06952	4.4
205.08679	1.7
219.06606	0.4
221.08165	0.4
237.07791	0.6
285.18588	0.2
329.17636	29.8
330.17987	2.9
339.10980	0.2
347.18759	0.3
357.11984	6.2
358.12183	0.5
382.27856	0.1
653.77277	0.1
687.30383	6.9
688.30823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83897	0.2
57.03340	0.6
59.01263	0.8
59.55659	0.1
61.98711	0.6
62.38358	0.1
65.00227	0.5
65.17159	0.1
67.01777	0.2
69.03329	0.2
78.95790	0.4
81.03354	3.5
83.01294	0.6
85.06500	0.3
87.04424	0.3
89.21814	0.2
93.03403	0.2
107.01301	0.5
108.02150	0.2
109.06498	2.1
111.04432	2.6
113.02347	0.2
113.76575	0.2
122.03648	1.2
123.08094	0.2
125.01443	0.3
125.02374	5.6
127.07543	0.2
135.04378	0.2
137.23302	0.2
149.02379	0.8
151.00322	1.2
151.07591	26.8
152.07935	1.2
153.05556	0.3
161.02339	0.3
176.38710	0.2
177.05566	0.7
179.03482	0.2
191.03735	0.2
191.05606	0.4
191.07118	0.4
195.06610	100.0
196.06947	5.0
209.40108	0.2
219.06644	0.6
237.07724	0.9
277.42560	0.2
329.17691	0.2
331.19095	0.7
339.10974	0.7
347.18701	0.5
357.12021	0.3
687.30383	23.9
688.30817	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92992	0.1
57.03339	0.6
57.76933	0.1
59.01268	0.7
61.98721	0.4
65.00220	0.4
69.03338	0.2
69.48633	1.0
71.01289	0.2
77.98589	0.1
78.95791	0.2
80.02552	0.1
81.03347	3.5
83.01281	0.8
85.02821	0.1
85.06494	0.5
87.04415	0.4
93.03346	0.2
93.81947	0.1
95.01273	0.2
96.95911	0.2
107.01295	0.5
109.02873	0.2
109.06495	2.0
111.04433	3.1
122.03658	1.1
123.08097	0.4
125.02373	5.5
126.02697	0.2
127.07568	0.3
133.02936	0.1
135.04424	0.3
149.02382	0.4
151.00307	1.1
151.07590	28.3
152.07938	1.1
153.05460	0.3
161.02367	0.3
164.20775	0.1
167.03474	0.2
172.83606	0.1
177.05511	0.9
191.05630	0.3
191.07141	0.5
195.06607	100.0
196.06935	5.0
207.06799	0.1
219.06650	0.6
237.07700	0.5
329.17679	0.4
331.19421	0.8
339.10846	0.6
345.47668	0.1
347.18781	0.4
349.20773	0.1
357.11911	0.4
396.51160	0.1
515.57086	0.1
523.30023	0.1
687.30377	19.9
688.30701	4.5
723.40466	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	723.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.7
60.99188	0.5
67.01783	0.9
69.03333	0.5
71.01269	1.9
71.18418	0.7
73.02834	0.8
78.95818	1.4
79.95623	0.3
81.03344	0.9
81.39306	0.3
83.04923	0.6
84.37524	0.3
85.02846	10.0
87.00771	2.7
89.02323	0.4
91.01812	0.4
93.03365	10.9
94.03677	0.5
96.95924	6.0
96.96870	0.8
97.02896	0.5
99.04411	0.5
99.17062	0.4
101.02370	0.4
105.03387	0.9
108.02090	0.5
109.02875	1.3
111.00803	1.0
111.04421	3.0
119.04942	2.0
121.02895	0.7
123.04457	3.1
127.03903	2.8
133.02895	5.5
134.03683	1.6
135.04460	1.8
137.02383	1.9
145.02887	1.9
149.83000	0.3
153.01904	0.3
155.03465	1.3
160.01692	0.5
163.03928	1.8
166.50031	0.4
171.02936	1.2
173.04515	9.4
174.04884	0.4
177.01884	1.8
178.02672	2.2
179.03490	1.4
191.05594	100.0
192.05951	4.2
193.04918	2.0
210.06868	0.6
211.07693	1.2
212.08379	1.2
225.09286	1.9
226.06480	0.3
227.10818	0.6
233.06723	0.8
238.06343	0.9
253.04691	0.9
253.08797	1.4
254.09509	1.5
259.15692	0.6
269.11951	2.3
271.09903	0.5
313.10892	2.3
315.34741	0.4
319.08072	0.4
327.08954	0.8
331.12018	0.6
351.07291	0.7
353.06897	1.2
357.09866	1.3
369.09918	4.1
370.09979	0.6
375.10895	0.4
410.11194	1.0
487.16049	0.8
493.24527	0.4
501.14642	0.4
518.71881	0.4
531.15265	7.2
532.15314	1.2
549.16022	1.8
723.21545	11.9
724.21667	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	723.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25190	0.4
57.03337	0.8
59.01266	3.8
60.99182	0.6
67.01768	1.8
69.03334	0.6
69.29127	4.9
69.29448	0.9
71.01274	2.1
73.02816	0.7
74.11595	0.4
81.03378	0.5
81.20803	0.5
83.04913	0.8
84.61237	0.4
85.02845	11.9
87.00782	3.2
89.02329	0.6
93.03358	10.8
94.03677	0.9
95.01323	0.5
96.95929	1.1
102.16544	0.4
109.02845	1.1
111.00803	0.5
111.04441	2.5
111.24970	0.5
116.43212	0.4
119.04964	2.3
120.71775	0.4
121.02866	0.7
122.88397	0.5
123.04442	1.4
127.03930	3.3
129.01866	0.6
133.02855	1.9
135.04449	1.4
137.02444	1.1
145.02849	0.9
150.03166	0.5
153.01868	0.5
155.03438	1.5
161.02409	0.5
163.03960	1.8
171.02922	0.7
173.03090	1.0
173.04521	12.7
173.06003	0.7
177.01918	0.8
177.04279	0.4
178.02621	0.8
179.03552	0.5
191.05586	100.0
192.05965	4.0
211.07681	1.0
212.08345	1.1
225.09177	1.7
227.10809	1.2
228.11665	0.5
233.06670	1.3
269.12039	1.0
313.07428	0.5
313.10934	0.9
345.10968	0.9
357.10080	0.6
369.09958	1.0
457.53815	0.4
487.16534	1.0
500.06790	0.5
531.15167	9.4
531.84436	0.5
532.15625	1.3
549.16296	1.1
628.22687	0.5
723.21460	10.6
724.22223	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	723.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21072	0.5
59.01276	0.7
60.99190	0.8
67.01765	2.2
69.01255	0.5
69.03328	0.9
69.99490	2.9
71.01254	0.8
81.03366	1.0
85.02845	7.8
87.00788	5.4
87.55640	0.5
93.03359	21.7
94.03702	0.9
98.79725	0.6
99.00772	0.7
105.03361	1.3
107.04935	0.9
109.02856	1.5
111.04424	4.0
121.02872	1.0
122.48100	0.6
123.04440	22.8
124.04778	0.7
127.03943	2.1
133.02881	7.8
135.04454	1.1
139.03918	1.0
149.02380	1.7
151.03975	1.8
155.03423	1.0
159.42776	0.5
161.02306	0.8
171.02908	0.7
173.04515	14.5
174.04846	0.9
177.01901	18.9
178.02307	1.0
179.03439	0.9
191.05591	100.0
192.05913	4.9
195.02991	6.1
215.05585	1.3
248.55510	0.6
281.40765	0.6
351.07355	4.9
352.07370	0.6
353.08875	6.4
369.08322	38.8
370.08749	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	723.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30834	0.5
55.01773	2.0
59.01265	1.1
64.22061	0.5
68.46023	0.6
71.01281	0.7
72.99210	0.5
75.00763	32.0
78.95793	2.1
85.02847	1.0
93.03374	1.1
96.96867	1.7
99.29170	0.5
101.02376	0.9
102.04020	0.5
117.01863	0.6
129.01857	8.9
133.02892	1.4
134.03688	0.9
135.03418	0.9
135.04443	19.5
136.04802	1.1
147.02922	2.0
161.02391	5.9
165.03995	100.0
166.04324	2.9
173.04491	1.9
179.03455	17.5
191.05568	7.4
233.09464	1.3
239.10846	1.1
309.06186	3.2
327.07269	62.6
328.07642	4.9
353.08841	10.1
354.09235	0.7
390.33359	0.5
471.13080	1.1
489.10394	31.1
490.10596	3.5
515.12244	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	721.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47304	0.3
55.01767	0.4
57.03340	0.5
59.01268	100.0
60.01604	1.1
61.80085	0.2
61.98716	1.3
65.39625	0.3
71.01273	5.3
73.02842	1.5
76.58430	0.3
78.95810	0.5
83.01315	0.8
85.02856	3.3
87.00771	0.8
93.03372	0.7
95.01348	0.3
96.95917	0.3
97.04244	0.3
98.19822	0.6
99.00784	0.5
101.02339	2.6
113.02363	1.8
119.04951	0.4
125.02425	0.4
131.31908	0.3
134.03671	0.9
135.04469	0.5
137.02386	0.3
159.03038	0.5
161.02415	0.4
161.04478	1.3
161.27573	0.3
173.04520	0.7
175.03972	0.3
179.03592	0.3
179.05649	0.3
191.05569	2.5
193.05029	0.4
209.11975	0.4
215.07196	0.4
274.94812	0.3
294.05191	0.3
439.32346	0.3
441.33722	0.7
473.02097	0.3
473.37045	0.4
617.40698	2.9
618.41479	0.7
635.41608	2.8
636.42218	0.7
677.42871	14.2
678.43225	3.1
721.28717	0.5
721.46777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66327	0.3
55.01785	0.5
59.01262	11.7
65.03856	0.6
67.20420	0.4
71.01266	6.4
71.58276	0.5
73.02842	0.9
74.00400	0.5
78.95795	1.7
80.02570	1.0
81.03346	2.9
83.01289	0.5
83.04927	2.1
85.02843	1.6
86.77637	0.3
87.00749	0.9
89.02333	3.4
93.03368	0.8
95.04900	0.5
96.93761	0.5
97.02862	6.5
97.06483	0.5
99.00781	1.8
101.02347	5.0
106.04109	0.7
107.04930	0.9
109.06501	31.7
110.03642	0.5
110.06852	1.0
113.02351	2.1
118.76239	0.4
119.03452	0.6
121.06495	1.7
123.04421	0.5
125.09608	0.6
135.08104	3.8
136.05234	1.3
139.64543	0.4
142.02686	2.3
145.04964	0.7
145.10254	0.6
161.04579	2.1
161.09647	1.5
163.11240	18.1
164.11624	1.0
179.05571	0.8
179.10718	0.6
181.12334	4.2
189.09158	3.0
204.51288	0.4
207.10248	100.0
208.10602	6.4
209.11752	1.6
225.11325	33.5
226.11690	1.8
235.08192	3.0
243.12491	0.7
253.09323	14.0
255.23386	0.9
256.23651	0.6
277.21774	75.6
278.22171	5.8
281.14069	0.7
299.15112	1.4
302.48724	0.4
317.07983	0.5
423.32562	0.5
425.99789	0.4
441.34027	0.9
442.34311	0.6
443.19257	3.9
444.19751	0.5
461.20392	11.3
462.20749	1.5
467.31763	0.9
485.32938	0.6
661.34894	0.4
703.40601	1.0
721.41852	32.2
722.42194	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	721.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.6
57.03333	0.3
59.01265	9.1
69.03330	0.5
70.07612	0.2
71.01270	3.7
71.04906	1.0
71.58964	0.3
73.02847	0.9
78.95789	0.4
80.02587	0.3
81.03352	0.6
82.40089	0.3
83.01278	0.8
83.04919	0.8
85.02847	1.0
87.00766	0.9
89.02332	1.9
93.03353	0.4
95.01300	0.4
95.04948	0.4
97.02850	4.9
97.06490	1.3
99.00784	8.9
101.02342	3.1
109.06507	6.8
110.03648	0.9
111.04408	0.4
113.02358	1.8
121.06501	0.3
121.52166	0.3
123.04433	0.4
123.08085	0.5
125.02372	0.7
125.09664	2.6
125.35838	0.3
127.50813	0.2
131.50090	0.2
135.08081	1.2
136.05226	1.1
136.47545	0.2
142.02660	1.8
143.03482	0.4
145.05003	0.3
161.04506	1.1
161.09685	0.6
163.11247	6.5
174.14546	0.3
177.45543	0.3
179.10745	0.6
181.12309	9.3
182.12643	0.7
189.09190	0.9
197.11780	0.3
199.13400	0.6
205.12373	0.3
207.10258	41.6
208.10635	2.6
209.11897	0.4
223.13539	0.4
225.11333	59.2
226.11705	3.6
235.08267	2.6
239.12753	0.3
243.12421	7.3
244.12801	0.5
253.09319	5.5
259.20691	0.4
267.12436	0.5
275.20316	0.4
275.24249	0.3
277.21786	100.0
278.22159	9.2
278.24686	0.1
278.25339	0.3
285.13248	0.3
299.15143	0.3
317.15976	0.4
345.15768	0.5
405.17462	0.5
443.19336	4.3
444.19760	0.6
452.12714	0.3
461.20404	8.3
462.20605	0.9
467.31412	0.3
513.30743	0.4
577.37573	0.5
721.41846	24.7
722.42389	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60431	0.2
55.01773	0.5
57.03337	0.2
58.00496	0.2
59.01267	7.1
63.23801	0.2
69.03345	0.6
69.88242	0.5
69.88654	0.6
71.01274	4.3
73.02841	1.2
75.00763	0.3
80.02576	0.6
81.03348	1.3
83.01275	0.7
83.04919	1.5
85.02846	1.6
86.00053	0.2
87.00758	1.3
89.02341	2.2
93.03368	0.3
95.01312	0.5
95.04945	0.4
97.02856	4.1
97.06479	0.3
98.20483	0.2
99.00774	1.1
101.02356	4.1
103.03943	0.2
106.04159	0.2
107.04936	0.4
109.02883	0.2
109.06506	15.1
110.03641	1.0
110.06816	0.3
111.04446	0.3
113.02372	1.9
119.03430	0.4
121.06502	0.8
123.04444	0.5
125.02309	0.3
129.01863	0.2
133.05008	0.4
135.08089	1.9
136.05237	0.8
136.08415	0.2
142.02670	1.6
143.03482	0.3
145.05002	0.9
145.10240	0.4
151.07564	0.2
152.99483	0.3
161.04486	1.4
161.09659	1.0
163.11241	10.3
164.11545	0.5
165.09204	0.3
179.05556	0.3
179.10736	0.7
181.12320	2.0
189.09198	2.0
207.10263	53.2
208.10631	3.9
209.11720	0.7
221.11887	0.2
225.11334	16.2
226.11644	0.8
233.22826	0.5
235.08272	5.6
243.12454	0.3
253.09329	10.6
254.09660	0.4
255.23332	0.3
259.20673	0.5
263.12878	0.2
275.20129	0.3
277.21786	100.0
278.22134	9.1
281.14011	0.5
299.15088	0.9
376.19882	0.3
418.31546	0.2
425.18246	0.2
441.33728	0.6
443.19330	2.5
444.19904	0.3
461.20374	4.1
462.20813	0.6
467.31921	0.8
485.32916	0.4
513.30786	0.4
559.36725	0.3
581.49469	0.2
582.54688	0.2
703.40302	0.5
714.15247	0.2
721.41846	25.9
722.42218	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	721.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
59.01266	100.0
60.01604	0.7
61.98724	1.5
63.08439	0.3
65.16624	0.3
66.24499	0.3
70.11597	1.7
71.01276	4.4
73.02841	0.5
78.95791	0.5
84.81579	0.4
85.02863	1.5
87.00784	0.9
89.02339	5.4
93.03382	1.0
95.01303	0.3
96.95945	0.5
98.20569	0.5
101.02346	2.1
113.02375	1.9
119.03455	1.6
119.04984	0.7
134.03708	1.3
135.04431	0.8
143.03430	0.6
152.99586	0.8
161.04558	0.4
163.03958	0.6
173.04515	0.7
175.04008	0.4
177.01962	1.3
178.02757	0.4
179.05586	1.9
185.02238	1.4
187.07716	0.5
189.12798	0.6
191.05594	2.5
192.04306	1.6
193.04913	0.6
207.06615	3.4
207.25749	0.4
209.11887	0.7
213.15038	0.4
215.07278	0.6
243.91862	0.4
255.23540	1.0
262.06131	0.4
313.18161	2.6
329.17825	0.4
347.07526	0.5
453.30505	2.3
481.29718	34.6
482.30008	5.6
482.36194	0.5
538.40991	0.4
573.76563	0.4
617.40405	0.5
619.42950	0.5
635.41077	0.5
661.36047	12.0
662.36096	2.9
677.43793	0.5
721.47388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.9
57.03338	1.0
58.00487	1.0
59.01264	100.0
60.01583	0.5
61.98718	0.8
69.03340	1.4
69.58641	0.4
69.91005	0.4
71.01272	20.2
71.46250	0.6
72.99194	1.6
73.02839	3.3
74.16823	0.4
75.00799	0.4
78.95800	1.2
81.03346	1.2
83.01288	1.8
85.02840	5.4
87.00769	4.0
89.02343	16.2
91.03910	0.6
93.03361	0.8
95.01305	1.2
97.02862	3.0
97.91763	0.4
99.00807	1.1
101.02347	17.1
111.04414	1.0
113.02363	7.3
115.03918	0.6
119.03433	3.7
125.02374	5.2
125.36333	0.5
131.03452	0.8
143.03442	2.4
148.05302	0.6
152.99525	0.9
153.56386	0.4
159.02922	0.5
161.04529	3.9
173.04544	0.7
176.95052	0.4
179.03177	0.4
179.05663	2.9
187.92778	0.4
191.05602	2.9
191.21922	0.4
195.06622	0.4
195.81956	0.4
207.10313	0.5
209.11829	1.1
215.07339	0.6
217.07027	0.5
221.06715	0.9
235.08258	7.3
253.09349	1.3
255.23289	1.6
256.23587	0.6
263.07831	0.8
263.20203	46.2
264.20563	3.6
277.21664	0.6
287.07877	2.0
305.08957	2.5
323.09808	1.1
387.78754	0.5
397.13589	63.3
398.13940	4.8
415.14658	20.7
416.15012	2.3
453.88654	0.5
484.27554	0.6
557.44983	0.6
601.41101	1.9
619.42218	4.0
661.34271	1.5
661.43433	8.1
662.44043	0.9
699.18402	0.5
721.45758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
57.03326	1.2
58.00478	1.7
59.01270	31.1
59.26226	0.6
61.98715	1.7
63.46936	0.6
69.03335	1.2
71.01274	27.7
71.49920	1.1
72.99194	2.1
73.02838	4.4
75.00742	1.1
75.09730	0.5
76.89817	0.6
78.64595	0.7
78.95800	1.9
81.03338	1.5
83.01280	2.6
85.02856	6.0
87.00779	5.6
87.69891	0.6
89.02343	24.0
93.03366	1.1
95.01290	1.9
97.02858	5.2
99.00775	2.7
101.02351	22.7
111.04413	1.2
113.02361	10.0
119.03414	7.0
125.02380	8.7
126.99406	0.6
131.03474	1.1
133.05058	0.7
139.03935	0.9
143.03419	3.8
149.04475	0.7
152.99495	0.8
161.04478	5.5
169.31815	0.6
179.05544	4.9
190.28838	0.6
191.05550	1.8
209.11766	1.6
212.05252	0.6
217.07169	1.0
221.06715	1.4
235.08250	11.4
245.06795	0.8
253.09285	1.5
261.18921	0.8
263.07764	1.1
263.20230	63.8
264.20581	5.7
277.09274	0.9
287.07843	3.1
305.08765	3.8
323.10129	0.9
352.38577	0.6
379.12268	1.0
397.13620	100.0
398.13937	7.0
415.14673	33.0
416.15024	2.1
541.63464	0.6
582.08252	0.7
607.47723	0.7
620.01996	0.7
661.34668	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	721.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89059	2.2
59.01265	23.4
59.33881	1.9
61.98723	15.8
71.01254	4.7
78.95821	5.2
85.02819	2.7
85.41499	2.2
93.03372	2.4
96.95903	5.3
98.20563	5.3
110.98369	2.0
111.04424	3.6
127.48923	2.0
133.02921	3.3
134.03671	4.4
135.04454	6.2
137.02342	3.9
152.99489	4.3
161.02379	19.8
176.04745	8.9
178.02634	4.9
179.03456	36.0
180.04192	4.9
191.05530	11.8
191.07138	5.6
193.05060	3.9
194.05814	33.0
195.06624	16.5
209.06177	5.1
209.08179	100.0
210.08495	5.0
227.07278	3.3
227.95453	2.7
242.50519	2.4
255.23317	5.6
256.23563	3.6
313.18143	15.6
331.19354	3.5
337.81030	2.5
462.34888	2.5
483.27338	3.4
624.24530	4.1
721.30115	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	720.326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.9
60.01608	0.2
61.98717	100.0
62.98422	0.2
65.72952	0.1
71.01279	0.4
71.04897	0.4
71.57043	0.1
72.90595	0.1
73.02821	0.1
74.09583	0.1
74.13705	0.1
78.95807	0.3
85.02864	0.3
89.02394	0.1
93.03376	0.1
95.44492	0.1
96.95934	0.2
101.02361	0.2
109.02883	0.1
111.04443	0.1
113.02365	0.2
123.08064	0.9
125.02422	0.1
133.02899	0.2
133.34030	0.1
135.04462	0.2
148.05260	0.4
149.05620	0.2
151.07622	0.2
152.01106	0.3
161.02444	0.3
161.04546	0.2
163.07680	0.2
164.07941	0.1
166.05093	0.1
173.04498	0.2
179.03511	0.1
180.08307	0.1
191.05580	0.6
191.07162	1.1
192.05902	0.1
192.07510	0.3
193.07669	0.1
195.06633	0.2
195.66933	0.1
196.06975	0.1
205.08681	1.0
206.09035	0.2
207.09247	0.1
219.13872	0.1
221.08226	0.2
229.42546	0.1
230.05452	0.1
243.03110	0.1
288.63995	0.1
303.19904	0.2
315.71130	0.1
322.05136	0.1
329.17639	4.8
331.19315	1.5
332.19571	2.1
333.19830	1.5
334.20193	0.6
347.18686	1.8
351.20889	0.1
395.16025	0.1
432.68802	0.1
721.31433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.7
60.01600	0.1
61.01671	0.1
61.98716	100.0
62.98417	0.2
62.99158	0.1
70.78007	0.1
70.78362	0.1
71.01280	0.3
73.45354	0.1
78.95808	0.2
85.02832	0.1
87.00760	0.1
91.05334	0.1
93.03361	0.2
96.95273	0.1
101.02448	0.1
112.17297	0.1
115.11128	0.1
117.17244	0.1
133.02887	0.2
135.04459	0.2
148.05257	0.5
149.05629	0.3
150.05673	0.1
152.99539	0.1
161.02391	0.2
161.04512	0.2
163.07591	0.3
163.11241	0.1
164.08028	0.1
173.04575	0.1
181.80565	0.1
191.05583	0.3
191.07137	0.4
192.07500	0.3
193.07718	0.2
205.08693	0.3
206.09090	0.3
207.09332	0.1
231.17522	0.1
257.91550	0.1
259.64319	0.1
299.02121	0.1
327.94711	0.1
331.19217	1.6
332.19537	2.7
332.23340	0.2
333.19821	1.9
334.20105	1.0
342.94440	0.1
349.20340	0.1
350.20801	0.2
351.20938	0.1
353.26575	0.1
720.40454	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29144	0.4
54.79793	0.4
57.03340	0.5
58.00468	0.5
59.01266	66.7
60.01618	0.9
60.99197	0.7
61.98711	3.1
65.30800	0.4
69.28558	4.2
71.01271	14.7
72.99217	1.3
73.02832	1.3
78.95773	0.6
83.01296	1.2
85.02837	3.0
87.00778	1.3
88.98688	2.4
89.02338	11.7
89.47795	0.4
93.03378	1.2
95.01257	0.8
96.95927	0.7
97.02863	1.1
99.00822	0.7
101.02345	13.0
109.06512	0.7
113.02361	5.4
119.03416	5.0
119.04912	0.9
123.04435	0.4
123.08109	0.9
127.07565	3.3
137.02388	2.1
141.09169	1.3
147.08102	1.0
151.07600	0.6
152.99539	0.5
161.02431	0.5
163.03912	0.4
163.11232	7.6
164.11665	0.5
165.01865	0.7
165.05510	0.5
165.09378	0.5
173.04536	0.7
177.01945	1.0
181.05054	0.8
191.05576	2.0
191.07103	8.0
192.07484	0.5
195.02956	3.0
195.06683	0.7
197.11899	0.7
205.08681	6.2
207.10268	18.0
208.10558	1.0
209.04517	0.7
210.05330	2.7
221.08188	0.9
225.07709	3.8
225.11319	1.0
255.23387	1.0
302.18811	0.4
313.18253	1.7
329.17722	0.4
331.19205	23.4
332.19540	3.2
349.20267	3.5
369.15671	3.5
387.16693	100.0
388.12231	0.5
388.17102	8.5
389.17258	0.5
429.01624	0.4
483.27573	1.6
497.23904	2.5
690.31024	0.9
719.36658	68.3
720.37024	14.0
724.01324	0.5
741.00232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03326	0.6
58.00402	0.2
59.01256	0.2
61.98720	0.3
62.85865	0.2
69.03348	2.5
69.41998	0.8
69.42429	0.8
71.01246	0.2
78.95799	0.6
83.04925	2.8
93.03340	0.2
97.06481	0.8
98.20497	0.3
99.04417	18.9
99.72910	0.2
100.04777	0.3
100.47566	0.2
117.27943	0.2
121.06465	0.2
123.08057	0.8
125.09668	0.3
133.02902	0.3
147.11703	0.4
149.09634	0.4
149.13312	0.6
152.99512	0.6
165.12805	0.6
167.10728	0.6
167.14340	0.5
191.05521	0.3
217.07207	0.9
219.17632	0.4
251.16615	0.4
257.19147	0.3
273.22369	1.1
279.23370	0.3
285.13504	0.5
291.23355	0.5
299.20139	0.3
301.16675	2.1
302.16907	0.2
317.21268	7.2
318.21555	0.6
335.22321	2.4
336.22495	0.2
342.34970	0.2
365.40652	0.2
417.26550	100.0
418.26895	10.6
714.23022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33649	0.7
58.00488	1.1
59.01269	70.4
60.01609	1.0
61.98719	9.1
69.14803	0.5
69.58104	1.1
69.58510	3.5
71.01277	17.8
72.01618	0.7
72.99205	1.8
73.02837	1.5
75.00787	0.9
83.01281	1.4
85.02852	5.1
87.00792	2.5
88.98681	0.7
89.02343	14.9
93.03361	1.0
95.01291	1.1
96.95909	3.5
97.02825	1.1
98.20520	1.3
99.00797	1.3
101.02351	11.9
110.53632	0.6
113.02362	7.9
115.03926	0.7
119.03417	6.0
127.07600	5.3
131.03339	0.8
133.02867	1.3
134.03674	1.8
135.04460	2.6
137.02380	1.2
139.03984	0.7
141.09122	1.0
143.03462	0.9
145.10126	0.7
147.08128	0.8
148.05273	0.8
149.04504	0.6
150.03143	1.0
153.01878	1.2
161.02434	1.4
161.04530	0.6
161.09651	0.8
162.54430	0.6
163.04004	0.6
163.11238	12.5
164.11572	0.9
171.10065	0.7
178.02733	1.0
179.03470	1.7
189.41370	0.6
191.05565	2.4
191.07141	5.3
205.08656	4.0
207.10277	18.9
208.10648	0.7
209.11766	1.7
213.15021	0.6
225.11357	1.2
243.08719	1.0
275.09222	0.8
313.18124	2.3
331.19229	13.4
332.19409	1.4
349.20172	3.2
369.15588	3.4
373.20297	1.0
387.16721	100.0
388.17090	7.1
439.32309	1.9
440.32547	0.7
497.24139	3.5
498.24121	0.7
562.17096	4.1
622.22845	1.0
655.28741	0.8
675.32373	1.0
681.37018	0.9
689.32178	3.2
689.82635	1.6
690.31860	0.8
719.36713	87.2
720.37189	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12499	0.2
57.03329	0.3
59.01265	1.8
59.17485	0.2
61.98717	0.6
71.01266	2.4
71.56242	0.3
72.85292	0.2
72.99195	0.3
73.02850	0.9
75.00755	0.3
76.68411	0.2
81.03377	0.2
83.01278	0.7
85.02827	1.4
85.39199	0.2
87.00782	0.3
89.02351	0.8
89.03890	0.2
96.95917	1.4
99.00792	1.0
99.54731	0.2
101.02346	1.6
102.81217	0.2
102.85871	0.3
105.03368	0.6
106.04194	0.2
107.04942	0.8
113.02374	1.1
115.01842	0.3
115.03910	0.3
117.03373	1.5
123.04425	0.6
125.02372	0.2
132.02129	1.9
133.02885	32.8
134.03748	3.4
135.04453	48.9
136.04797	1.9
149.06044	0.4
160.01637	0.3
161.02396	100.0
162.02748	4.1
162.33304	0.3
175.03949	0.6
179.03465	29.2
180.03864	1.2
191.05653	0.5
193.05060	0.6
195.06573	0.3
197.76263	0.2
260.32336	0.2
263.15112	1.7
293.21338	0.3
321.88107	0.2
331.19107	0.4
353.08853	0.2
387.16815	0.5
395.14371	0.3
395.19360	0.8
451.38245	0.2
539.21338	1.1
557.22491	43.3
558.22931	5.6
583.20380	0.4
629.70184	0.3
719.25665	39.4
720.26007	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	719.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71582	0.1
59.01260	0.8
66.68435	0.1
67.01769	0.6
69.03332	0.1
69.70161	0.9
71.01277	0.6
72.30178	0.1
75.40233	0.1
81.03339	0.2
83.04937	0.2
85.02844	5.8
87.00769	1.4
93.03356	3.4
95.01276	0.2
99.04442	0.1
109.02858	0.6
111.04420	1.4
117.03413	0.2
119.04913	0.9
119.94719	0.1
125.02335	0.2
127.03932	1.7
127.23311	0.1
143.03442	0.2
145.02899	0.9
155.03363	0.2
163.03961	1.3
171.02959	0.5
173.04498	1.8
191.05586	100.0
192.05940	3.6
259.50693	0.2
266.05832	0.2
282.56018	0.1
289.97748	0.1
294.05420	0.3
307.14407	0.2
309.07565	0.2
335.05917	0.1
337.09360	27.5
338.09705	2.7
353.06735	1.3
354.07108	0.2
501.14371	0.2
527.12134	2.3
528.12384	0.4
585.08319	0.2
719.18634	0.5
720.19073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.7
57.03330	1.1
59.00983	0.8
59.01263	7.1
61.98708	0.6
67.01794	0.4
69.03339	4.0
69.52678	3.4
71.01273	5.0
71.04903	1.5
73.02838	1.3
81.03358	1.8
83.01286	0.7
83.04916	5.0
84.02060	1.5
85.02873	2.1
87.00784	1.0
88.73226	0.4
89.02336	3.8
93.03356	0.6
95.01304	0.9
95.04939	1.3
97.02884	0.6
97.06495	1.3
99.00781	0.5
101.02351	4.5
108.02002	0.4
113.02347	2.5
119.03452	1.1
123.08078	1.2
125.02427	0.5
125.06028	0.6
125.09637	2.1
132.02000	0.4
134.03671	4.2
135.08093	0.6
137.02304	0.5
143.03438	0.8
145.05006	0.7
149.09615	0.7
151.11229	2.6
153.12802	1.1
158.43971	0.4
160.01666	0.7
161.02277	0.5
161.04504	1.2
161.09647	3.9
163.11223	4.7
165.12798	2.2
175.03989	0.7
176.01129	1.0
179.05557	0.6
179.10750	7.7
181.12344	0.8
191.03477	3.0
191.05554	1.3
191.10693	1.0
193.05026	4.5
194.05446	0.5
197.11816	68.1
198.12115	4.3
209.11824	53.4
210.12181	3.2
222.27766	0.4
223.09717	1.3
227.12897	3.4
235.08263	0.8
241.10817	3.8
253.09369	3.5
260.25485	0.5
360.70816	0.5
389.17731	0.7
439.32480	1.4
459.19052	0.8
477.20020	2.1
609.28748	0.7
675.23706	0.5
681.30377	0.6
687.32477	100.0
688.20874	1.0
688.32806	20.4
690.30927	2.9
719.35187	28.5
720.35559	6.9
720.47076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	7.7
70.77429	5.3
71.01279	4.6
83.12018	1.6
85.02843	6.0
87.00749	2.7
89.02326	8.3
93.03357	7.8
93.56146	1.9
96.95921	2.6
101.02349	3.3
119.03435	2.8
135.04442	3.4
156.57462	1.7
173.04463	2.7
179.05583	2.1
191.05588	56.4
215.03198	4.3
220.63478	2.1
266.05826	3.6
293.04626	3.8
294.05463	5.4
309.07742	3.6
335.05719	4.0
339.04990	2.2
341.10962	21.0
353.06647	14.4
354.06995	2.9
377.08652	100.0
378.08936	7.1
527.12128	27.2
528.12073	3.9
719.19049	4.5
720.20215	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34354	0.3
59.01266	5.9
65.00883	0.3
67.77271	0.3
69.34923	0.3
69.80564	1.8
71.01270	5.3
72.99224	0.5
73.02840	0.6
78.37907	0.3
78.95784	0.6
79.42809	0.3
85.02839	1.6
87.00782	0.4
89.02338	8.4
93.03363	0.8
96.96912	0.5
99.56580	0.4
101.02359	2.8
110.01576	0.3
113.02366	2.3
119.03410	2.6
125.02380	0.5
131.03459	0.6
136.62703	0.4
139.14650	0.4
143.03416	0.7
161.04518	0.9
173.04486	0.5
179.05554	3.3
191.05605	6.5
191.07275	0.3
197.02251	0.9
215.03262	4.6
267.06653	0.5
293.04504	0.7
294.05374	0.5
309.07770	0.9
335.05566	0.6
341.10965	19.8
342.11298	1.1
353.06860	1.9
377.08643	100.0
378.08984	8.5
388.20438	0.4
511.80093	0.4
527.12305	2.0
719.17792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95949	0.2
51.94506	0.2
57.01680	0.3
57.03337	0.5
59.01262	2.3
60.99186	0.9
61.98706	0.6
65.49804	0.2
67.01779	2.1
69.03350	1.2
71.01266	2.3
71.58060	0.4
73.02834	0.6
81.03338	1.3
83.01273	0.3
83.04927	1.2
85.02840	13.3
87.00768	5.5
88.85909	0.3
89.02378	0.2
89.03844	0.3
93.03357	19.3
94.03706	0.6
94.60688	0.3
96.95911	4.1
99.00750	0.3
99.04431	0.4
101.02348	0.4
105.03359	0.8
108.02113	0.3
109.02865	1.3
111.04427	4.8
113.02340	0.7
119.04939	0.6
121.02864	0.3
127.03970	2.6
129.01836	0.8
132.02066	0.6
133.02882	5.5
134.03685	1.6
135.04449	1.1
137.02380	1.0
143.03433	0.3
145.02827	0.3
146.90404	0.3
147.00865	0.4
148.01561	0.6
149.06042	0.5
150.03151	0.4
155.03464	2.4
160.01610	5.0
161.02379	5.6
162.02765	0.4
163.03978	0.5
171.02946	0.6
173.04510	12.7
174.04890	0.5
175.00374	1.3
175.03946	0.5
177.01892	2.0
178.02684	0.6
179.03424	0.6
191.05583	100.0
192.05919	3.7
193.04915	0.3
209.06142	0.3
209.11743	0.3
215.05733	0.3
221.06102	0.8
222.06865	1.0
237.05568	1.7
238.06203	1.3
239.03622	0.3
249.05611	0.7
250.06308	2.4
251.03477	0.7
265.05139	2.2
266.05859	3.3
267.06421	0.3
281.08414	0.4
293.04565	1.7
294.02054	0.5
294.05389	10.1
295.05725	0.9
297.04260	0.5
309.07703	4.7
310.08167	0.3
325.07202	0.3
327.08768	1.1
335.05698	0.6
338.04382	3.9
339.04843	0.6
351.07254	1.5
353.06726	45.7
354.07089	4.6
367.10535	0.3
454.61243	0.3
483.27414	0.3
501.14102	8.4
502.14590	0.8
527.12048	47.7
528.12402	6.3
545.12903	0.6
603.22559	0.3
613.24048	0.3
719.18451	11.5
719.31445	0.6
720.18573	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.9
59.01267	2.4
60.99184	0.9
67.01776	2.6
69.03346	0.7
71.01272	2.2
71.06105	0.9
73.02831	0.5
76.08692	0.3
81.03362	1.2
81.28809	0.3
81.48443	0.3
83.04924	1.4
85.02845	15.1
86.67816	0.3
87.00769	7.3
93.03358	22.7
94.03701	0.4
96.95921	0.5
99.00746	0.4
99.04398	0.7
108.02083	0.7
109.02866	1.4
111.00772	0.4
111.04432	4.3
113.02349	0.6
118.35477	0.3
119.01317	0.4
125.95098	0.4
127.03935	3.5
129.01863	0.9
133.02863	0.9
135.04430	0.7
143.03441	0.5
155.03429	1.2
159.04459	0.4
160.01596	0.5
161.02390	0.9
171.02904	1.0
173.04501	7.3
177.01945	0.4
179.03552	0.6
185.02454	1.2
191.05579	99.4
192.05910	3.5
221.06065	0.6
222.06895	1.0
223.07507	0.6
225.11273	1.2
237.05583	1.1
238.06310	1.1
239.07120	0.5
248.04730	0.5
249.05617	1.2
250.06320	0.8
251.07176	1.0
264.04282	0.7
265.05008	1.8
266.05884	6.7
267.06564	2.0
276.04300	0.6
277.05127	2.0
281.08328	1.0
292.03873	1.2
293.04617	8.9
294.05399	11.4
295.06085	2.6
307.06122	0.8
309.07629	3.3
310.04578	0.4
311.05731	0.9
320.03223	2.3
321.03937	0.4
325.07169	0.9
327.08786	0.5
335.05667	6.1
336.05923	0.7
338.04379	3.6
339.05151	8.4
339.09341	0.3
340.05685	0.6
353.06723	39.0
354.07083	3.8
385.11523	0.4
501.14044	0.9
527.12042	100.0
528.12396	11.5
545.12866	0.6
626.42523	0.4
719.18359	17.3
720.18597	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.6
59.01264	2.9
60.99197	2.1
61.98712	0.3
67.01778	4.4
69.03337	1.5
69.56080	1.0
69.56494	0.6
71.01271	3.1
73.02839	0.9
77.05886	0.2
81.03352	0.9
83.04929	0.9
85.02843	15.0
86.03206	0.3
87.00778	8.0
89.02339	0.2
93.03362	33.9
94.03701	0.8
95.01334	0.2
96.95914	0.3
98.20583	0.3
99.00790	0.8
99.04427	1.0
101.02348	0.5
105.03391	0.3
105.76399	0.2
109.02851	1.7
111.00755	0.2
111.04440	5.7
113.02370	0.7
115.03943	0.4
118.32977	0.3
119.04946	0.6
121.02867	0.3
125.02382	0.3
127.03941	2.9
129.01871	0.6
133.02896	2.1
134.03610	0.4
135.04456	1.4
137.02362	0.8
140.58290	0.2
143.03455	0.2
145.02901	0.4
149.02382	0.2
149.05957	0.2
153.01859	0.5
155.03500	1.1
160.01622	1.5
161.02411	5.3
162.02795	0.3
163.04034	0.4
164.88374	0.2
171.02946	1.0
173.04518	16.3
173.92117	0.2
174.04884	0.5
175.00330	0.7
177.01918	0.6
178.02589	0.3
179.03369	0.5
179.67407	0.2
191.05597	100.0
192.05933	3.7
215.05649	0.9
225.56337	0.2
238.06282	0.6
246.86760	0.2
250.06458	0.5
265.05020	0.5
266.05963	0.6
270.09076	0.2
271.24536	0.2
286.54437	0.2
293.04688	0.5
294.05408	2.2
301.99969	0.2
307.08279	0.2
309.07693	1.3
327.08545	0.4
338.04407	0.3
339.05060	0.8
351.07220	2.9
353.06702	5.1
354.06915	0.6
501.14124	2.3
527.12042	45.4
528.12494	6.0
719.18433	11.5
720.19031	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	718.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.2
60.01602	0.2
61.98717	100.0
62.88937	0.1
62.98426	0.2
71.01289	0.1
71.04930	0.2
71.56210	0.1
78.95819	0.1
93.03372	0.1
96.95957	0.1
97.02873	0.1
101.02382	0.1
121.02874	0.1
123.08095	0.4
124.08481	0.2
133.02910	0.2
134.65549	0.1
135.04454	0.4
148.05235	0.4
149.05635	0.3
150.05763	0.1
151.94389	0.1
161.02434	0.4
161.04512	0.1
163.07617	0.3
164.07935	0.2
166.06310	0.2
167.06854	0.1
179.03497	0.3
181.08701	0.2
189.12886	0.1
190.13202	0.1
191.05641	0.4
191.07195	0.2
192.07416	0.1
195.06744	0.1
205.08760	0.3
206.09152	0.2
209.23544	0.1
298.63727	0.1
304.20184	0.1
313.18152	1.0
314.18539	0.8
323.07739	0.1
329.17709	0.7
330.17972	1.2
331.18384	0.8
332.18594	0.5
341.08929	0.2
345.85818	0.1
347.18759	0.4
348.19049	0.6
349.19232	0.3
350.19897	0.1
417.89590	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15389	0.1
55.73877	0.1
57.03336	0.3
59.01257	1.0
60.99189	0.3
67.01768	0.8
69.03334	0.5
69.65374	0.1
71.01273	1.1
73.02814	0.3
81.03335	0.4
83.04911	0.4
85.02841	9.0
86.03160	0.1
87.00771	2.5
93.03358	6.3
94.03692	0.8
98.19817	0.3
99.04420	0.4
108.02068	0.1
109.02873	0.9
110.78796	0.1
111.04427	1.6
113.02361	0.3
119.04934	0.6
120.05293	0.2
123.04424	0.2
127.03928	2.3
128.04231	0.2
129.01915	0.2
135.04483	0.3
137.02359	0.3
137.72780	0.2
145.02849	0.3
153.01834	0.2
155.03427	0.3
159.04466	0.5
163.03940	0.6
164.04245	0.3
171.02939	0.5
173.04510	2.6
174.04855	0.2
179.03459	0.3
182.62161	0.2
191.05580	100.0
192.05911	6.4
192.07697	0.2
193.06100	1.4
203.03564	0.3
217.03604	0.2
221.06236	0.2
235.04047	0.1
236.04880	0.3
237.05536	0.3
247.04048	0.2
248.04736	0.5
249.05606	0.3
251.03410	0.2
263.03680	0.3
264.04346	1.2
265.05048	0.8
266.05911	2.2
267.06540	0.4
268.07401	0.3
276.04361	0.5
277.05127	0.6
279.03128	0.2
279.06540	0.2
281.08304	0.6
283.09738	0.4
292.03784	0.9
293.04587	3.3
294.05371	1.9
295.05765	0.2
307.06158	0.7
308.06818	0.4
309.07730	5.0
309.11349	0.2
310.08170	0.5
325.07208	0.4
327.08762	0.2
335.05640	3.7
336.05902	0.3
337.09384	2.6
338.05130	0.3
338.09689	2.5
339.05725	0.3
339.09918	1.1
352.05768	0.3
353.06741	8.0
354.06979	0.7
381.14117	0.2
483.13092	2.6
484.13348	0.3
501.14111	0.4
509.11227	0.3
527.12036	29.0
528.12402	4.0
545.12830	0.2
561.73450	0.2
719.18420	4.5
720.19025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26096	0.6
58.00464	0.9
59.01267	55.9
61.98709	1.0
68.26851	0.7
69.03291	0.8
69.75388	3.0
69.75797	1.6
71.01270	11.8
71.04913	4.0
72.99184	1.2
73.01427	0.7
73.02843	1.6
78.95789	1.0
82.97200	0.7
85.02819	3.5
87.00762	1.0
89.02341	10.7
93.03338	0.8
95.01259	0.8
96.95883	3.0
97.02843	1.7
98.20511	1.0
99.00732	1.0
101.02346	10.0
106.91914	0.7
113.02365	5.5
114.02644	0.8
119.03417	4.0
123.08084	6.8
125.02332	1.0
127.07545	1.6
135.04375	1.4
163.11226	7.1
189.09158	2.4
191.05528	2.8
191.07069	4.8
199.45030	0.7
205.08707	5.0
207.10287	14.2
208.10585	1.1
219.13922	1.4
221.08075	1.0
225.11366	0.8
245.11833	0.8
274.16336	0.7
329.17688	13.9
330.18024	1.5
333.21057	1.0
347.18744	6.6
348.18939	0.9
369.15717	3.0
387.16699	100.0
388.17007	10.7
453.36212	0.8
497.24139	1.5
516.26752	0.8
574.23810	0.9
716.79541	2.8
717.35205	44.7
718.35492	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	717.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44216	0.2
55.01768	0.4
55.83763	0.2
57.03359	0.5
58.00485	0.8
59.01266	56.5
59.13562	0.2
60.01604	0.6
61.98419	0.4
61.98717	5.2
69.03316	0.3
69.49937	1.5
69.50342	0.5
71.01272	11.1
71.04907	5.0
72.99206	1.1
73.02839	1.2
78.95771	0.3
81.03352	0.6
83.01284	1.1
83.04929	0.3
85.02841	3.1
87.00778	0.9
89.02339	10.4
90.02689	0.4
95.01292	1.1
96.95887	0.2
97.02869	1.2
97.06487	0.2
99.00774	0.6
101.02349	8.6
107.04942	0.5
109.02878	0.6
109.06499	0.7
111.04459	0.4
113.02358	4.9
119.03429	3.6
121.06553	0.3
123.04402	0.2
123.08078	7.7
125.02399	0.4
127.07579	3.0
131.03467	0.3
141.09142	0.7
143.03429	0.4
145.10202	0.4
147.08092	0.5
151.07593	1.0
161.02415	0.6
161.04497	0.5
161.09604	0.7
163.03929	0.3
163.11235	7.3
177.09076	0.3
177.12752	0.4
179.05602	0.6
183.13820	0.3
189.09216	2.3
191.05582	0.6
191.07126	5.0
195.06601	3.5
201.12874	0.3
205.08696	4.6
206.09132	0.4
207.10254	13.3
208.10632	0.7
219.13936	1.0
221.08272	0.3
225.11365	0.8
231.13936	0.6
245.11874	1.1
253.14595	0.3
263.12875	0.3
271.20691	0.3
275.12836	0.3
285.18765	0.4
289.21793	1.5
296.75342	0.3
303.19696	0.8
313.18063	0.4
314.18448	0.6
329.17627	12.9
330.18030	1.5
331.18936	0.5
332.19482	0.6
333.20779	2.8
334.21072	0.4
347.18668	6.1
348.19073	0.7
369.15561	2.8
387.16690	100.0
388.17014	9.1
413.42349	0.3
495.26022	1.2
497.24066	1.3
498.24139	0.4
705.35315	0.3
717.35126	40.1
718.35406	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	717.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03323	0.5
58.00491	1.0
59.01266	57.2
60.01611	1.1
61.98717	11.3
71.01268	12.7
71.04903	4.4
71.57635	0.4
71.57998	0.5
72.99212	1.4
73.02828	0.9
78.95789	0.5
82.01990	0.4
83.01281	1.1
85.02831	2.5
87.00777	1.8
89.02338	10.8
93.03403	0.5
95.01309	1.1
95.37568	0.4
96.95934	0.5
97.02849	1.2
99.00774	0.5
101.02350	9.8
107.04877	0.5
109.02869	0.4
109.06550	0.7
113.02351	5.5
119.03419	5.1
119.04913	0.9
121.06481	0.6
123.08073	7.2
127.07575	2.4
131.03462	0.6
135.04420	0.6
141.09120	0.8
143.03442	0.7
147.08127	0.5
149.02385	0.4
161.02388	0.8
161.04506	0.7
161.09615	0.5
163.03966	1.0
163.11240	6.5
179.03487	0.5
179.05592	0.5
189.09134	2.4
190.66946	0.4
191.05611	0.8
191.07104	4.7
203.07106	0.4
205.08679	4.1
206.09145	0.7
207.10251	13.9
208.10620	1.0
209.08296	0.7
214.83943	0.4
219.13879	0.8
225.11310	0.9
242.48473	0.4
245.11903	0.7
254.55550	0.4
263.12927	0.6
271.20340	0.5
275.13049	0.5
289.21851	2.4
303.19821	0.6
313.18170	0.5
329.17636	13.7
330.18073	1.6
331.19077	1.1
332.19705	0.6
333.20712	5.3
334.20996	0.7
347.18671	5.2
348.19083	1.0
369.15567	3.2
387.16699	100.0
388.17023	10.3
495.26266	2.8
497.24054	1.5
616.29034	0.4
654.28778	0.8
717.35059	39.4
718.35486	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	717.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.2
55.57589	0.1
57.03339	0.3
59.01266	22.7
60.01613	0.3
67.01781	0.4
68.00176	0.1
69.03358	0.2
70.02822	0.6
71.01271	2.9
71.04893	0.2
73.02839	1.0
78.26542	0.1
83.01299	0.2
85.02843	1.4
87.00774	0.4
89.02336	0.2
93.03360	2.8
93.03920	0.2
97.02879	0.3
97.06480	0.2
99.00816	0.5
101.02348	1.3
105.03368	0.3
105.18205	0.1
107.04951	0.2
109.02875	0.5
111.04454	0.4
113.02361	1.4
117.51807	0.1
123.04403	0.1
123.08075	0.6
125.09665	0.2
127.07602	0.6
133.02875	3.0
134.03618	0.4
135.04448	3.3
135.05457	0.3
135.30580	0.2
137.02385	0.6
143.03499	0.2
145.06578	0.2
147.08076	1.3
148.05240	11.6
149.05582	0.5
149.14478	0.1
155.03429	0.6
159.02962	0.2
161.02478	1.1
161.04501	4.6
161.09601	0.8
162.04855	0.2
163.07605	6.1
163.11235	1.9
164.07953	0.2
165.09163	0.3
173.04509	8.6
174.04825	0.4
177.01871	1.0
179.03462	2.7
191.05582	1.8
191.07104	14.7
192.05983	0.2
192.07486	0.9
205.08687	11.0
206.09210	0.8
207.10106	0.2
215.05606	0.3
221.08232	1.4
269.19171	0.7
285.18640	0.2
287.20334	0.4
313.18167	0.4
325.13040	0.2
331.19220	100.0
332.19568	11.7
335.08057	0.6
349.20270	8.9
350.20508	1.1
351.07227	0.9
353.08801	1.5
381.20703	0.8
454.58185	0.2
496.29578	0.2
513.10510	0.5
521.36340	0.1
555.26105	3.8
556.26404	0.8
643.60126	0.2
717.29193	0.7
718.29004	0.2
739.65204	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	717.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53899	0.2
59.01268	30.7
60.01596	0.2
61.98719	2.0
71.01265	1.7
71.62588	0.2
73.02831	0.6
78.95810	0.4
83.01278	0.4
85.02840	0.9
89.02345	0.2
90.35133	0.2
93.03403	0.3
96.95930	0.4
97.02834	0.3
99.00826	0.3
101.02370	1.0
102.49937	0.2
103.72773	0.2
109.02859	0.3
111.04415	0.2
113.02383	0.9
123.08067	0.3
127.07707	0.3
131.14824	0.2
147.08034	0.3
148.05244	10.9
149.05724	0.7
161.04471	1.2
161.09694	0.3
163.04004	0.4
163.07602	4.7
164.07970	0.4
167.03543	0.2
171.10329	0.4
173.04514	0.3
179.10698	0.3
189.05510	0.3
191.07117	18.9
192.07443	1.1
205.08701	13.2
206.09235	1.4
207.10170	0.5
209.11862	0.7
211.13390	0.7
221.08238	2.9
223.09671	0.4
313.18228	1.0
331.19232	100.0
332.19589	10.5
349.20273	7.7
350.20557	1.0
407.86298	0.2
445.40585	0.2
717.48090	0.3
718.40405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62917	1.5
55.01769	4.5
57.03334	5.4
58.00472	3.0
59.01265	72.9
61.78053	1.7
61.98722	8.5
67.01769	2.7
69.03342	6.2
69.29898	7.8
69.30327	9.1
71.01272	96.5
72.99198	9.3
73.02839	22.1
75.00784	2.1
78.95795	33.0
81.03339	2.8
83.01285	10.3
85.02846	40.3
87.00776	14.3
88.98681	1.9
89.02340	41.7
93.03355	21.4
94.03681	1.9
95.01283	6.1
96.95921	2.7
96.96864	18.0
97.02846	5.5
98.20516	2.7
99.00780	7.2
99.92512	2.4
101.02349	76.8
102.02663	2.2
108.02097	1.6
109.02866	3.3
111.00764	4.6
111.04414	3.2
112.74335	1.4
113.02359	35.4
113.71700	1.8
116.92777	19.1
117.03393	3.7
119.03435	14.6
119.04935	14.9
121.02893	3.1
125.02354	5.9
125.62809	1.9
129.01857	3.3
131.03384	2.7
133.02869	1.9
134.03612	1.9
135.04439	5.9
136.01596	2.2
137.02373	5.6
141.01807	2.6
143.03415	6.0
145.02872	10.6
147.04456	1.9
149.02400	2.3
149.04453	2.2
149.06012	1.8
155.03413	6.4
159.02953	3.7
161.04515	21.4
162.03166	4.3
163.03955	11.8
164.04367	1.9
165.01880	2.1
173.04497	16.1
174.04857	2.8
175.03981	2.0
177.05493	3.3
179.03429	2.3
179.05582	7.5
188.08342	4.9
189.09207	2.3
191.05595	59.0
192.05917	2.9
193.04985	2.7
211.07561	3.0
226.71437	1.8
249.15001	3.8
261.06259	2.7
284.02957	1.8
285.04001	6.2
286.04617	2.7
295.06070	2.2
297.08990	4.1
299.01871	2.6
306.05426	2.0
311.09253	1.9
319.08072	2.2
329.10413	2.0
331.19232	3.0
333.20844	2.1
337.09326	2.6
341.10297	5.1
349.20200	1.7
397.14319	4.8
411.20190	8.1
423.20291	3.3
433.25745	2.8
440.47867	1.8
451.26987	2.5
477.24945	18.2
495.25964	8.0
553.19019	3.6
569.56421	2.3
573.25665	28.7
574.25751	2.9
585.25677	20.3
595.30774	3.2
608.51831	2.0
639.30389	100.0
640.30774	24.4
657.31409	57.8
658.31635	13.3
681.36548	8.5
717.22937	16.3
717.34155	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	717.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
60.99192	1.0
67.01787	2.3
69.03344	0.9
70.62143	1.1
71.01276	1.8
75.40547	0.3
77.03850	1.5
81.03351	0.8
83.04913	1.2
85.02837	1.1
87.00772	2.8
89.03857	0.9
91.05416	0.4
93.03358	19.4
94.03699	0.7
95.04924	3.5
99.00784	0.4
99.04396	0.4
99.97265	0.3
100.51500	0.3
105.03368	12.2
107.04958	1.9
108.02076	0.6
109.02857	2.1
111.04440	5.3
113.02383	0.4
117.03356	0.5
121.02921	0.8
123.04436	2.0
127.04025	0.3
129.01872	0.8
132.02110	0.5
133.02881	100.0
134.03571	3.4
135.04446	33.8
135.05949	0.5
136.04802	1.8
137.02376	1.7
143.66663	0.4
145.06558	0.5
149.02362	0.7
150.03188	0.6
151.03963	0.7
155.03448	5.6
161.02393	6.0
162.02779	0.5
173.04514	31.2
174.04849	1.1
177.01891	37.5
178.02184	1.9
179.03459	29.0
180.03827	1.6
191.05586	10.9
215.05612	5.4
235.60704	0.4
271.06180	0.5
307.08383	1.2
309.22305	6.2
310.22681	0.7
333.06271	0.6
335.07773	5.2
336.08124	0.6
337.21808	3.4
338.22015	0.5
351.07294	19.0
352.07706	1.8
353.08832	0.7
381.20795	38.5
382.21158	5.0
382.25659	0.6
464.98181	0.3
513.10400	3.8
514.10632	0.6
555.26086	61.7
556.26422	12.2
556.35168	0.5
582.58234	0.4
717.29309	3.5
718.30005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20012	0.3
57.03337	0.4
59.01279	1.4
60.99184	0.7
61.98735	0.8
65.03842	0.5
67.01769	2.4
69.03341	1.2
71.01268	2.4
73.02827	0.4
77.03871	0.9
78.95808	1.0
81.03357	1.0
83.04912	1.8
85.02838	2.2
87.00776	2.5
89.03863	1.3
93.03358	21.1
94.03716	0.7
95.04917	2.8
98.19743	0.6
99.04425	0.5
105.03369	13.0
107.04930	0.7
108.02079	0.5
109.02861	2.3
111.00771	0.6
111.04432	6.9
117.03382	0.4
121.02858	0.7
121.06575	0.6
123.04449	1.6
127.03929	0.7
129.01877	0.6
132.02083	0.5
133.02882	100.0
134.03281	3.1
135.04448	24.2
136.04787	0.9
137.02371	4.7
144.60609	0.3
145.06490	0.5
146.07278	0.4
149.02444	0.4
150.03146	0.3
151.03963	1.3
155.03447	6.9
156.03668	0.4
157.06657	0.4
161.02396	8.7
162.02693	0.5
173.04510	55.6
174.04851	1.7
175.03963	0.3
177.01894	37.2
178.02243	1.3
179.03461	20.5
180.03796	1.1
185.06079	0.4
191.05573	9.3
191.07306	0.5
192.05836	0.4
203.03409	0.3
211.07597	0.5
213.12816	0.6
215.05641	2.9
229.49776	0.4
293.22693	0.5
307.08521	0.6
309.22336	5.3
310.22659	0.4
331.19205	0.4
335.07785	7.4
336.07971	0.4
337.21832	3.6
338.22461	0.4
351.07300	11.1
352.07642	0.8
353.08728	1.4
381.20779	39.8
382.21130	5.0
401.23566	1.3
500.31696	0.4
506.47504	0.3
513.10577	4.2
514.10565	0.5
555.26093	62.7
556.26434	11.2
649.51611	0.4
717.29266	5.8
718.29828	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57496	0.5
59.01256	1.3
60.99205	2.3
63.99405	0.5
65.03857	0.8
67.01781	5.8
69.03339	1.7
69.56727	3.9
71.01256	2.4
73.02810	0.6
77.03848	0.9
80.47072	0.4
81.03349	1.3
83.04925	1.4
85.02834	1.0
87.00764	7.1
89.03873	1.0
91.05445	1.1
93.03357	43.2
94.03683	1.3
95.04940	2.7
97.02877	0.5
98.20527	1.1
99.00798	0.9
105.03365	9.9
106.37312	0.5
107.04944	4.3
109.02847	7.3
111.04432	8.6
117.03403	1.1
121.02865	1.1
123.04469	2.7
127.03931	0.8
129.01865	0.7
133.02882	90.8
134.03722	12.2
135.04446	99.6
136.04796	4.5
137.02370	2.0
144.52408	0.4
149.02376	0.7
150.03140	1.6
151.03954	1.3
155.03421	4.5
161.02385	10.7
162.02849	0.5
173.04504	40.3
174.04834	0.8
177.01888	34.3
178.02281	1.5
179.03458	83.3
180.03781	3.8
191.05580	21.1
192.05916	1.0
193.11008	0.5
196.42899	0.4
197.04640	0.5
215.05591	13.0
271.06003	0.8
307.08221	2.5
309.22311	1.6
333.06183	0.8
335.07794	7.6
337.21701	1.5
351.07275	27.5
352.07556	2.1
381.20779	27.1
381.25769	1.1
382.21085	2.7
513.10541	7.8
514.10553	1.0
537.25287	1.2
538.25214	0.7
555.26093	100.0
556.26471	17.4
556.35248	0.7
637.68170	0.5
717.29205	13.0
718.29559	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	717.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29766	0.1
57.03339	0.3
59.01256	0.6
60.99189	1.0
67.01779	2.4
69.03347	0.7
69.70328	0.3
69.70751	0.3
71.01272	1.1
73.02831	0.2
81.03349	0.6
83.01266	0.2
83.04903	0.6
85.02847	3.8
87.00773	4.7
88.01144	0.1
90.84118	0.1
93.03361	19.6
94.03693	0.5
95.01286	0.1
99.00787	0.4
99.04433	0.4
101.02327	0.2
109.02869	0.6
111.04431	3.3
112.04763	0.1
113.02366	0.3
115.03938	0.1
117.03413	0.2
119.04939	4.7
120.05297	0.2
125.02469	0.1
127.03930	0.9
129.01855	0.7
137.02380	0.2
143.03447	0.2
145.02893	1.3
153.01845	0.2
155.03409	0.5
158.60448	0.1
159.68210	0.1
163.03957	6.0
164.04332	0.2
171.02946	0.2
173.04514	6.1
173.99118	0.1
174.04875	0.3
191.05586	100.0
192.05937	3.7
337.09366	33.0
337.59802	0.2
338.09674	2.8
351.05148	0.1
379.15692	0.2
386.74893	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	717.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61541	0.5
59.01265	100.0
59.65355	0.5
60.01610	0.6
71.59373	0.9
76.82623	0.6
78.95800	1.0
87.00800	0.6
93.03356	0.5
119.04960	0.7
120.67368	0.5
137.25458	0.5
181.60320	0.5
191.05522	1.4
216.93324	0.5
240.60065	0.5
277.21851	1.8
378.91608	0.6
389.37091	0.6
438.09625	1.3
452.11179	1.0
453.11902	1.7
457.18811	1.6
459.16824	2.1
467.13794	2.2
480.14749	1.5
481.10895	3.6
482.11694	1.2
495.17007	2.1
496.13922	13.2
497.14499	9.2
498.15552	3.1
509.14490	0.7
510.15387	3.8
511.16284	9.8
512.17249	3.6
513.17761	4.6
514.18262	1.0
524.16296	0.5
528.12610	0.7
530.14618	0.9
538.14899	1.0
539.19208	2.1
542.13965	0.6
544.15918	5.3
545.16510	2.1
553.17151	0.9
556.17297	0.7
567.19031	10.0
568.19666	2.7
570.17926	1.6
571.18481	9.7
572.18744	2.2
582.17645	0.7
583.18237	1.4
589.19739	2.6
590.19446	0.6
597.20392	2.9
598.20660	3.5
599.21680	31.7
600.22046	8.7
602.16888	2.0
625.18976	1.1
630.19800	2.1
631.20557	1.9
643.20313	0.7
657.22192	17.0
657.33234	0.9
658.22186	4.2
717.24341	87.0
718.24554	25.7
746.03638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78011	0.3
57.03365	0.2
59.01265	19.9
63.02296	0.3
65.00217	0.3
71.01274	4.5
71.59663	0.4
73.02833	1.2
73.93893	0.2
74.60400	0.2
83.01284	0.4
85.02861	1.3
89.02340	4.1
89.03871	0.5
91.05423	0.5
93.03362	0.2
95.01273	0.3
99.00777	1.8
101.02354	2.4
105.03394	0.5
106.18364	0.3
107.01273	0.6
107.04942	0.9
109.02878	0.2
113.02359	1.5
117.03367	1.4
119.03400	0.4
123.04462	0.3
125.02413	0.3
130.84650	0.3
131.03453	0.5
132.02104	1.5
133.02885	31.6
134.03716	3.3
135.04449	48.0
136.04784	2.0
137.02350	0.5
149.04503	0.8
151.00294	0.9
161.02393	100.0
162.02727	4.9
163.11163	0.3
175.03906	0.3
179.03459	27.1
180.03772	1.7
183.51060	0.3
191.05591	1.1
207.10255	0.5
243.02954	0.4
271.02411	0.3
283.02942	0.3
300.02802	5.3
301.03125	0.5
315.05173	7.3
315.18124	1.3
316.05420	0.7
316.85876	0.3
357.18805	0.3
387.16641	2.6
388.17172	0.3
393.17413	0.3
520.32520	0.3
537.19867	1.8
555.20941	50.4
556.21259	6.9
567.42963	0.3
717.24164	37.7
717.34558	2.1
718.11981	0.5
718.24554	9.1
718.34991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.2
59.01264	40.6
60.01603	0.4
61.98719	0.6
71.01276	2.5
71.04909	8.6
73.02827	1.1
77.33997	0.2
83.01281	0.3
83.04929	0.4
85.02833	1.4
95.01295	0.4
97.02851	0.5
99.00779	0.5
101.02343	1.7
107.04959	0.4
109.02856	1.1
111.04436	0.3
113.02362	1.4
121.02912	0.2
121.06513	0.8
123.08078	21.4
124.08422	0.9
132.05826	0.2
133.10201	0.5
146.07344	0.2
147.04466	0.6
147.08188	0.3
148.05241	30.4
149.05574	1.2
150.22844	0.2
161.04509	2.6
161.09668	1.4
163.07594	15.4
163.11272	0.4
164.04750	0.3
164.07971	0.7
165.09128	0.3
171.10284	0.2
175.07576	0.3
177.09218	0.2
177.12773	0.3
187.11256	0.3
189.05627	0.2
189.09172	2.8
191.07100	14.6
192.07452	0.8
201.12852	0.5
203.07047	0.3
205.08685	13.6
206.09140	0.9
207.10249	0.3
219.13892	2.1
220.14336	0.3
221.08165	1.8
229.34677	0.2
231.10336	0.4
231.13942	1.5
243.17648	0.2
245.11897	1.7
259.20816	0.3
263.12897	1.0
273.14966	0.2
275.12979	0.2
285.18646	2.4
286.19080	0.2
287.16605	0.4
303.19711	2.8
304.19907	0.4
311.16663	0.3
329.17645	100.0
330.17963	9.4
347.18704	50.2
348.19067	4.7
371.18863	1.0
389.19684	0.5
499.29294	0.2
504.26581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.32
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	0.3
59.01266	20.5
60.01609	0.2
61.98720	0.9
64.83002	0.2
65.24900	0.2
71.01270	3.4
71.08867	0.4
71.09205	0.4
73.02848	0.5
75.00758	0.3
78.95842	0.3
80.28408	0.2
83.04896	0.2
85.02850	0.8
87.00780	0.4
88.98730	0.2
89.02341	4.1
89.03883	0.2
90.15488	0.2
93.03359	0.8
95.01287	0.3
96.95906	0.7
99.00780	0.7
101.02355	2.6
105.03352	0.3
106.04101	0.2
108.02112	0.5
111.04429	0.4
113.02357	0.6
117.03374	0.7
119.04956	0.7
120.99578	2.9
121.05003	1.9
123.04433	0.6
123.08053	0.3
125.02364	0.4
131.03441	0.4
132.02104	2.6
133.02896	4.2
134.03670	30.3
135.04370	1.2
136.01692	0.2
137.02365	1.2
143.03430	0.2
145.02861	0.4
148.05237	0.8
149.04601	0.9
149.06029	13.6
150.03165	0.2
150.06297	0.6
151.03940	0.4
152.01181	0.3
153.05524	0.5
155.03415	0.2
159.04570	0.3
160.01613	21.4
161.02080	1.1
163.03940	0.6
173.04536	0.7
175.03969	29.9
176.04317	1.7
177.01900	1.4
177.05482	0.3
178.02626	0.7
179.03508	1.6
191.03954	0.3
191.05595	2.8
193.05042	32.2
194.05408	1.8
195.06569	0.8
221.04550	0.9
282.07559	2.9
297.09860	100.0
298.10208	6.8
329.17633	0.3
347.18866	0.3
375.20139	0.3
426.58841	0.2
437.17862	0.4
454.84232	0.2
474.66150	0.2
623.27258	0.4
715.28784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.3
57.03349	0.9
58.00474	2.5
59.01267	53.4
61.98417	1.3
61.98718	13.4
69.03342	1.3
69.66364	2.8
69.66788	2.6
71.01272	36.9
72.99197	3.3
73.02834	7.6
75.00771	0.9
81.03334	0.9
83.01273	2.6
85.02847	7.7
85.25874	0.7
87.00783	3.2
89.02343	45.6
95.01283	3.2
96.95915	2.0
97.02856	19.5
101.02351	38.1
102.02757	1.1
109.02839	1.4
113.01608	1.5
113.02357	17.1
114.02679	0.8
116.16316	0.7
119.03430	18.1
119.04878	4.3
122.03654	1.6
125.02370	10.7
127.07581	6.0
131.03413	4.3
134.71024	0.7
135.08009	0.7
138.18114	0.7
139.03922	1.2
139.81757	0.8
143.03441	6.3
147.08090	0.9
149.04565	1.6
161.04514	10.4
161.09697	1.0
163.03946	4.7
167.03444	1.2
179.05574	50.5
180.05939	1.8
187.11235	0.9
189.12827	16.2
191.07106	4.0
200.26991	0.7
203.14392	2.3
205.08713	10.2
207.10208	3.6
221.06654	11.2
269.19168	4.9
281.09039	1.0
283.17148	3.9
285.18814	0.8
287.20319	2.6
305.08835	3.4
313.18161	77.5
314.18469	9.7
323.09811	4.7
331.19226	100.0
332.19577	9.8
373.20590	0.9
437.18311	1.5
439.12393	0.9
653.27881	3.9
715.28363	2.3
715.78223	1.6
730.68719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07242	0.3
57.03336	0.3
57.92224	0.2
59.01261	0.9
61.98710	0.6
69.71453	0.5
69.71867	1.1
71.01266	0.2
73.02837	0.3
78.95808	0.9
81.03351	0.8
85.02814	0.4
96.95905	0.3
99.04419	100.0
100.04752	2.7
125.09641	0.3
141.35797	0.2
150.44402	0.2
161.84123	0.2
165.40277	0.2
171.10229	14.6
172.10576	0.7
191.05614	0.9
192.05774	0.3
215.05417	0.2
251.52321	0.2
277.21786	16.7
278.22159	1.8
295.22849	77.1
296.23206	7.9
317.21103	0.5
390.23996	0.3
417.26550	21.7
418.26944	3.2
741.74902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80812	0.2
55.01771	0.3
57.03335	0.5
58.00468	0.4
59.01267	23.0
60.01602	0.3
68.99712	0.4
69.03342	3.9
70.63050	0.5
71.01273	11.0
71.64295	0.2
72.01611	0.3
72.99210	0.7
73.02847	1.0
78.95820	0.2
81.03354	0.6
83.01286	1.1
85.02839	2.1
87.00798	0.6
89.02338	11.0
95.01284	1.4
97.02854	18.2
98.03185	0.3
101.02357	5.3
107.01303	0.4
107.73211	0.2
113.02357	3.8
119.03430	3.5
119.04922	0.3
125.02373	100.0
126.02717	2.6
131.03432	0.7
132.96564	0.2
134.03737	0.2
143.03398	1.0
149.04485	0.3
151.03978	0.3
161.04465	1.5
167.03510	0.2
173.04518	0.3
179.03465	0.5
179.05588	4.7
191.05588	0.5
203.05591	2.5
211.06168	0.6
329.08859	9.2
330.09116	0.7
341.10959	22.7
342.11252	1.2
373.11642	0.5
715.15656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03323	0.6
58.00471	1.6
59.01265	29.6
60.01560	0.5
61.98698	0.6
67.64148	0.4
69.03323	1.7
71.01270	25.0
71.56800	0.8
71.57167	0.4
72.01595	0.5
72.99185	1.8
73.02835	4.7
75.00738	0.8
78.95779	0.9
81.03342	1.3
83.01283	3.7
85.02840	5.2
87.00768	6.4
89.02335	25.9
95.01291	1.7
97.02854	3.9
99.00770	1.0
99.04443	0.5
101.02342	20.6
101.03017	1.0
107.69890	0.5
109.02838	0.8
113.02354	10.4
115.03949	0.5
119.03407	6.2
125.02372	8.7
131.03404	0.9
133.05008	0.9
139.03914	0.6
141.01924	0.5
143.03436	4.1
149.04404	0.6
161.04482	3.9
167.03358	0.7
179.05557	4.2
181.05072	0.5
185.04501	0.6
191.05519	0.6
217.07303	0.7
221.06619	1.7
224.45949	0.4
235.08215	10.0
236.08615	0.4
245.06538	0.5
253.09314	1.6
255.23326	71.9
256.23663	6.3
263.07806	0.7
277.09467	0.6
277.21689	0.5
287.07791	2.7
295.22845	0.9
305.08868	3.8
323.09894	1.3
397.13586	100.0
398.13913	9.1
415.14648	29.4
416.14825	2.8
519.94153	0.5
653.37671	6.1
654.38702	1.1
714.52643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4755
Annotation	(2'S)-Deoxymyxol 2'-alpha-L-fucoside
Peak:m/z	Relative Intensity
53.25565	0.5
59.01252	1.6
64.11559	0.6
71.36065	0.7
71.36404	1.2
78.95792	3.4
83.04899	0.7
96.96858	2.4
127.48605	0.5
135.04465	1.2
158.93994	0.5
161.02400	0.6
161.33203	0.6
191.05621	1.2
194.41125	0.6
210.40074	0.5
233.09427	2.0
677.50140	2.2
713.47540	100.0
714.47742	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	713.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	28.0
61.98724	3.7
62.13020	1.1
69.03355	2.2
69.34446	2.9
69.34856	10.6
70.61327	1.4
71.01273	29.8
72.99213	2.0
73.02831	6.8
78.95798	1.8
81.03362	2.3
83.01290	4.4
85.02850	13.8
87.00769	23.2
87.01274	1.7
89.02342	23.8
93.03379	2.2
95.01304	3.8
96.95903	1.2
97.02859	4.4
99.00800	4.2
101.02351	34.4
109.02792	1.3
113.02361	16.0
119.03428	5.1
121.02840	2.0
125.02357	12.5
127.03974	1.5
131.51643	1.2
137.02402	1.4
143.03397	6.0
154.90254	1.4
161.04518	7.4
161.35019	1.3
173.04480	2.2
179.05614	7.2
191.05602	21.9
203.05508	1.8
211.13385	1.9
219.05119	1.5
235.08211	14.0
245.63722	1.3
253.09332	6.7
255.23344	98.6
256.23712	8.8
263.07889	2.1
269.24841	2.4
277.21841	4.2
287.07843	5.5
289.82022	1.5
305.08875	5.3
323.10095	3.2
397.13586	100.0
398.13791	6.9
415.14703	59.1
416.15012	4.7
653.37799	3.3
654.38794	1.5
713.29321	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	713.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60652	0.5
55.01779	1.1
57.03332	1.0
58.00477	1.7
59.01266	36.0
60.01601	0.6
61.98710	0.5
69.03336	1.9
71.01270	27.9
71.28880	0.6
71.29218	0.5
72.01600	0.4
72.99202	2.4
73.02832	5.0
75.00739	0.4
78.95784	1.0
79.33903	0.4
81.03338	1.4
83.01276	2.7
85.02844	7.8
87.00768	7.1
89.02338	25.3
90.02689	0.5
93.03367	1.1
95.01284	1.9
97.02850	4.9
99.00781	1.6
99.04411	0.9
101.02346	20.2
102.02695	0.5
109.02821	0.6
111.00764	0.6
111.04427	1.2
113.01629	0.9
113.02368	10.2
115.03909	0.6
119.03418	6.5
121.02887	0.9
125.02378	9.6
131.03432	1.0
133.02850	0.8
133.04980	1.2
135.04471	0.9
137.02350	0.5
139.03969	1.1
141.01889	0.7
143.03445	4.5
149.04494	0.6
152.99623	0.6
161.02359	1.2
161.04494	4.9
167.03459	0.8
173.04521	0.8
179.05580	5.0
185.04405	0.5
186.29488	0.4
191.05629	4.0
203.12163	0.5
217.07063	0.8
221.06705	1.5
235.08240	10.3
245.06607	0.7
253.09343	1.5
255.23332	73.9
256.23676	6.5
263.07730	1.0
287.07742	3.9
305.08881	3.2
323.09921	1.0
397.13596	100.0
398.13956	8.4
415.14655	28.0
416.14969	2.0
524.28302	0.6
653.37408	5.7
654.38129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75911	0.3
55.01767	1.5
57.03339	3.8
58.00470	0.5
58.03691	0.3
59.01266	23.4
60.01587	0.3
61.98728	0.4
67.01772	0.7
68.99712	0.7
69.03332	1.4
69.53799	0.8
69.54208	1.8
71.01273	23.8
72.01594	0.3
72.99203	4.9
73.02842	4.8
73.67208	0.4
75.00766	23.5
81.03384	0.3
83.01279	2.8
83.08699	0.3
85.02847	24.3
86.03172	0.4
86.70069	0.3
87.00777	6.8
89.02345	4.6
93.03361	0.8
95.01279	2.6
96.95923	0.7
97.02847	2.8
99.00159	0.6
99.00781	7.7
101.02347	5.5
103.00278	0.8
108.02062	0.5
109.02903	0.5
109.78854	0.3
111.00797	0.7
113.02364	24.4
114.02701	0.7
115.00301	2.4
117.01853	1.6
119.03430	0.3
119.04973	0.5
125.02377	0.6
129.01854	1.2
131.03424	2.4
134.03595	0.4
136.44357	0.3
137.02397	0.4
139.00308	0.3
143.03442	0.4
145.02902	0.4
152.01027	0.4
157.01364	1.2
161.04558	0.7
161.75732	0.3
163.03897	0.5
165.09084	0.4
167.23839	0.3
173.04489	3.0
175.02419	1.8
179.03412	0.3
191.05594	3.3
191.10741	0.3
193.03474	0.5
193.05058	0.3
201.03998	0.5
235.04601	1.1
250.69197	0.4
315.19678	1.0
333.20801	2.5
385.04913	0.3
465.15289	0.7
465.65280	0.7
695.29266	0.6
713.30457	100.0
714.30811	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	711.336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	25.6
61.98707	2.5
71.01284	15.4
72.99170	2.0
78.95780	7.9
85.02844	3.6
87.00757	3.3
89.02328	14.2
93.03362	3.9
96.95894	5.8
97.02822	3.3
101.02349	13.2
111.40000	2.0
113.02353	5.2
116.11818	1.8
119.03429	5.7
125.02360	7.9
133.02867	6.1
135.04436	3.6
137.02306	1.8
152.99504	4.4
161.02347	2.8
161.04466	2.2
179.05551	4.3
191.05557	8.6
209.36304	1.9
221.06726	2.3
235.08180	6.3
253.09407	3.5
253.21783	8.5
277.21811	37.7
278.22055	4.6
279.23154	2.9
287.07611	2.6
302.12933	2.3
305.08777	3.0
356.49780	2.0
381.20728	4.2
397.13605	100.0
398.13843	7.0
415.14594	22.9
416.14713	2.7
426.33081	2.3
675.35779	8.0
707.68213	2.1
711.33752	51.3
712.33942	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.8
59.01266	4.6
61.98677	0.9
71.58046	1.5
78.95798	28.0
83.04905	1.3
85.02884	0.9
96.96867	3.5
106.41554	1.0
110.87833	1.0
125.09637	1.2
127.11170	1.3
145.06131	1.0
152.99535	33.9
153.99867	1.2
155.10706	1.1
163.11200	1.2
165.12704	1.0
171.00638	5.0
171.10231	2.3
201.11307	28.4
202.11685	1.4
209.11829	31.4
210.12132	1.4
225.11244	1.3
226.11700	1.0
227.12910	2.9
241.21793	1.9
255.23341	100.0
256.23700	9.5
334.88690	0.9
342.02563	0.9
363.12140	1.1
381.13348	2.3
391.83060	0.9
437.15967	1.9
455.17178	2.7
473.17776	1.0
693.39801	11.4
694.40686	2.5
711.41064	91.6
712.29541	2.0
712.41370	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	711.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38086	0.4
56.34198	0.3
57.03341	0.7
59.01273	5.7
61.98721	2.0
67.01782	0.5
69.03352	0.4
71.01273	4.0
71.59410	0.5
73.02851	1.2
78.95783	0.7
81.03362	0.9
83.01301	0.6
83.04924	0.8
85.02847	12.9
87.00774	3.1
89.02370	1.0
93.03364	7.1
95.01330	0.3
96.95921	1.5
96.96902	0.3
97.02851	0.7
99.00785	0.7
99.04422	0.9
101.02372	1.4
105.03378	0.4
107.04968	0.4
108.02074	0.5
108.15070	0.4
109.02204	0.4
109.02886	1.8
111.00813	0.5
111.04442	2.4
113.02388	1.2
117.03407	2.0
117.31988	0.3
118.21683	0.3
119.04974	0.9
121.02869	0.6
123.04432	0.4
125.02388	0.3
127.03934	3.1
132.02092	1.6
133.02888	10.9
134.03787	1.7
135.04457	43.4
136.04799	1.7
137.02394	1.2
139.97000	0.3
144.57204	0.3
145.02856	0.4
146.03639	0.3
153.01849	0.4
155.03444	1.6
160.01585	2.4
161.02405	47.4
162.02734	2.3
163.03979	1.1
171.02992	0.8
173.04530	4.1
173.05923	0.4
174.06638	0.3
175.03999	0.9
177.01868	0.5
178.02632	0.5
179.03468	36.8
180.03862	1.7
183.13913	0.5
187.07562	0.5
191.05592	100.0
192.05904	3.4
193.05055	1.0
195.06601	0.4
201.04012	1.4
203.03484	0.4
213.15019	1.5
215.07127	0.5
216.07822	0.8
255.02977	0.4
261.06088	0.9
263.07352	0.5
263.10742	1.0
271.09885	0.3
281.30502	0.3
283.02490	1.2
307.13620	1.0
313.18088	0.5
317.15298	0.4
331.19287	0.5
335.07861	0.5
345.12195	0.4
353.08908	2.9
361.14569	1.7
405.13412	1.1
417.19318	0.6
427.07095	0.6
519.22510	35.7
520.22760	5.1
537.23523	7.7
538.23761	1.3
650.39429	1.4
651.40643	2.2
711.28918	32.0
712.29388	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	711.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.8
59.01265	24.2
61.98719	0.9
68.99718	1.1
69.03355	3.0
71.01270	18.9
71.07493	1.9
72.99203	10.9
73.02850	5.0
75.00760	11.2
75.01146	1.1
81.03362	1.9
83.01292	2.6
85.02843	18.9
87.00768	5.5
89.02341	4.3
93.03382	1.0
95.01303	3.3
96.95934	1.6
97.02848	31.7
97.06505	0.9
99.00775	5.3
101.02347	3.6
103.00277	4.8
109.02873	1.5
111.00806	1.7
113.02357	26.5
115.00360	1.3
117.01865	1.2
122.03648	1.6
123.04448	1.0
123.08086	0.8
125.02380	1.2
127.07575	12.5
127.08469	1.1
129.01894	2.4
131.03435	2.2
133.01366	1.0
135.08040	0.8
135.89801	0.6
140.18680	0.8
145.10103	1.3
157.01360	0.9
161.09659	1.4
163.02422	0.8
163.11244	1.4
165.05577	1.2
168.75224	0.7
173.09680	1.1
175.02455	6.2
177.01892	1.3
178.02782	0.9
189.12813	13.7
190.13193	1.6
191.05533	2.1
191.07118	5.2
193.03503	23.5
193.05220	1.4
194.03958	1.1
201.04034	5.5
203.05722	0.8
203.14404	1.9
205.08676	12.7
206.09113	0.9
207.10260	4.9
210.06810	3.6
219.05272	0.9
221.15465	1.0
235.04607	12.9
235.07617	2.2
236.04958	1.1
237.09235	1.0
254.39850	0.8
261.06262	3.3
263.07101	0.9
264.07944	2.3
269.19171	6.9
281.15613	1.0
283.17056	5.9
287.20212	1.6
295.17075	1.2
307.13492	1.5
313.18167	51.6
314.18665	4.4
322.02908	0.8
331.19214	100.0
332.19537	9.8
337.07803	1.1
379.08917	21.8
380.09201	1.6
397.09940	37.2
398.10342	3.4
454.08740	0.7
557.65503	0.8
616.29852	1.6
682.31885	2.3
711.28815	61.3
712.29077	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	711.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07929	0.2
50.31347	0.2
54.85030	0.2
55.01784	0.5
57.03342	0.6
58.00492	0.2
59.01266	100.0
60.01602	1.1
67.94283	0.2
69.03334	0.2
69.65274	0.4
69.65685	0.8
71.01273	8.3
72.01618	0.2
72.99207	0.3
73.02841	3.4
73.25623	0.2
73.76229	0.2
81.30276	0.2
83.01272	1.7
85.02842	4.4
87.00798	0.4
89.02356	0.7
95.01308	0.5
96.95893	0.3
97.02888	0.2
99.00774	1.5
101.02351	7.1
101.03013	0.4
109.02909	0.2
113.02355	4.1
125.02391	0.4
135.04457	0.4
135.41541	0.2
143.03476	0.3
149.04448	0.2
151.00365	0.6
159.02928	1.0
161.02481	0.3
161.04512	4.7
178.99901	0.4
188.20914	0.2
191.05521	0.9
255.03181	0.4
265.08731	0.2
269.10382	10.0
270.10782	0.6
270.19080	0.2
271.02588	0.5
279.36377	0.2
282.91177	0.2
299.02243	0.3
300.02887	1.3
301.03638	1.6
302.12329	0.2
311.11432	5.5
312.12112	0.4
327.08844	0.4
353.50604	0.2
463.09082	0.7
505.09686	1.3
577.70874	0.2
667.15741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03844	0.5
57.03338	1.1
57.85267	0.4
58.02857	0.5
59.01269	6.8
70.12122	2.0
71.01271	2.8
73.02843	0.9
78.95794	29.0
79.95621	1.3
83.01281	0.4
85.02837	1.1
87.00741	0.5
87.72852	0.4
88.31125	0.4
89.02345	0.9
93.03374	0.8
96.95909	54.9
96.96863	24.5
99.00726	0.6
99.04412	1.3
101.02349	2.0
107.01315	0.5
109.02860	0.5
111.04417	0.7
113.02319	1.5
125.02341	1.2
133.02887	1.3
134.03670	2.4
135.04451	2.2
136.01607	0.5
137.02345	0.8
147.20837	0.4
149.06004	1.8
151.00310	1.9
151.03914	1.1
152.01083	0.6
153.01970	0.7
159.04512	0.5
161.02354	3.0
161.04495	0.5
173.04512	1.2
178.99756	0.5
179.03450	1.6
181.04985	0.4
181.17491	0.4
187.07649	0.8
191.05609	6.3
192.05830	0.7
193.05069	0.5
195.06618	1.2
199.03963	1.5
200.59015	0.4
207.04274	0.8
215.03499	1.5
227.03500	1.3
233.09505	32.4
234.09842	1.2
242.02254	4.9
243.03018	21.6
244.03360	1.7
249.09059	0.8
255.03006	0.7
257.04642	6.0
258.05133	0.5
265.08575	0.6
270.01727	4.8
271.02527	20.9
272.02896	2.3
275.09366	0.6
285.04153	10.2
286.04816	4.1
294.11182	1.0
299.02048	7.6
300.02744	3.7
314.04395	42.7
315.05008	11.6
316.05441	0.5
357.06219	0.9
476.22214	0.6
477.10443	100.0
478.10788	12.5
569.13098	1.2
573.15540	0.6
613.21680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
59.63852	1.0
59.64167	0.8
59.94558	0.8
70.72112	2.1
80.30257	0.9
83.04918	1.2
83.55172	1.2
85.02847	1.1
93.03364	4.1
97.02869	1.0
111.04434	2.2
117.59249	0.9
119.04951	45.2
120.05278	1.4
125.02368	4.0
155.03444	2.4
163.03963	100.0
164.04327	4.9
173.04553	4.2
191.05588	16.1
192.05962	1.0
193.65106	1.0
202.12309	1.0
207.47398	0.8
297.76416	0.9
337.09369	40.4
338.09753	3.5
544.76965	0.9
705.64960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16371	0.2
57.03343	0.3
59.01273	2.9
59.61807	0.2
71.01279	1.0
73.02829	0.6
78.95797	8.1
79.95675	0.3
83.01286	0.3
85.02883	0.6
87.00736	0.3
89.02348	0.3
93.03343	0.4
96.95284	0.4
96.95922	8.7
96.96875	6.7
101.02354	0.7
107.01312	0.6
108.02109	0.3
113.02394	0.3
133.02869	0.8
134.03630	0.3
135.04463	1.2
137.02357	0.3
145.02873	0.3
147.55338	0.3
149.04393	0.3
151.00302	1.9
161.02414	2.3
163.03975	0.3
169.01439	0.6
173.04541	1.0
178.99800	0.6
179.03490	1.0
191.05600	2.2
199.04004	1.6
201.01987	0.6
204.04326	0.3
207.04437	0.5
215.03477	1.5
216.04369	0.4
225.01875	0.3
225.05775	0.4
226.02768	0.3
227.03566	2.1
227.05522	0.5
229.01453	0.6
233.09509	7.5
234.09818	0.5
242.02243	3.4
243.03012	21.4
244.03310	1.6
247.07535	0.6
249.09157	0.5
255.03084	1.0
257.04623	6.5
258.05014	0.6
270.01755	5.1
271.02527	23.1
272.02893	1.9
285.04089	12.2
286.04791	4.9
287.05286	0.6
299.02078	6.0
300.02759	4.6
301.03091	0.3
314.04404	44.7
315.05020	10.7
316.05505	0.5
339.04962	0.3
353.08685	0.5
357.06149	0.8
387.16544	0.7
477.10477	100.0
478.10803	12.9
523.94684	0.3
549.19800	0.8
711.25970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1799
Annotation	Primflasine
Peak:m/z	Relative Intensity
59.01259	0.9
63.02282	0.3
65.00217	0.7
71.46465	0.6
83.01268	0.7
86.70725	0.3
87.00767	0.3
89.02337	0.4
93.03353	1.6
96.95918	0.7
101.02334	0.3
107.01318	1.3
109.02885	0.6
114.63745	0.2
117.03353	0.7
119.04961	0.6
125.02348	0.3
132.02089	0.5
133.02902	0.5
134.03622	0.4
135.00815	0.8
135.04462	0.3
137.02353	0.4
143.04965	0.8
151.00331	2.6
154.04195	0.7
155.04926	0.3
157.06551	0.6
159.04474	0.3
163.00308	1.7
165.01845	0.5
169.01389	0.6
169.06552	1.2
171.04486	0.7
173.04546	0.4
183.04520	0.8
185.02563	0.3
185.06010	1.8
187.03952	1.7
189.05499	1.0
191.05573	2.2
192.05948	0.3
193.04958	0.4
196.05267	0.4
197.06052	0.9
199.03960	0.6
201.05594	0.4
211.04022	1.8
212.04700	0.3
213.05569	2.0
214.02748	0.7
217.04958	0.3
222.67639	0.3
222.70064	0.3
227.03514	13.6
228.03824	1.2
229.05075	7.4
230.05273	0.6
239.03453	1.6
240.04349	0.5
241.05057	1.5
243.03036	0.5
255.03041	31.3
256.03568	3.8
257.04590	5.2
267.03073	0.6
283.02554	11.6
284.03326	43.9
285.04102	87.7
286.04468	5.9
327.05145	1.0
327.08844	1.3
328.09207	0.4
416.07526	0.8
489.16608	0.3
579.13690	100.0
580.13995	14.1
711.17767	1.8
712.18024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96463	0.5
59.01262	10.8
61.98716	10.6
61.99007	0.9
69.03361	0.9
70.14629	0.6
71.01273	5.5
71.56058	0.8
72.99200	0.6
73.02837	1.1
75.00795	0.5
76.92039	0.6
78.95821	1.9
81.42726	0.5
83.01302	0.9
85.02864	2.5
87.00795	1.3
88.98688	0.6
89.02376	2.3
89.03878	3.6
93.03372	2.4
95.01302	0.6
96.95918	2.6
97.02854	3.1
99.00819	1.2
101.02355	2.7
105.03328	0.6
106.04185	0.6
107.04913	0.6
109.02849	1.4
111.00785	0.9
111.04451	0.8
111.33862	0.5
113.02382	2.3
117.03371	10.3
119.03495	0.8
119.04958	1.3
121.02896	0.9
123.04459	1.0
125.02372	5.4
127.04198	0.6
132.02097	5.0
133.02881	40.0
134.03670	100.0
135.04475	24.6
136.04785	1.3
137.02386	4.2
139.03951	1.5
142.32065	0.5
142.80960	0.5
145.02904	1.0
147.04439	0.8
149.06018	5.8
152.99567	1.0
153.05559	0.7
159.04446	0.8
160.01596	11.5
161.02390	88.4
162.02724	4.9
171.04289	0.5
173.04544	1.2
173.06038	0.7
175.03957	11.8
177.01920	0.9
178.02660	3.7
179.03468	18.7
180.03793	1.3
191.05598	4.0
193.05035	64.1
194.05396	2.6
195.06392	0.7
195.08037	0.6
203.03368	0.6
221.04300	0.6
222.11452	0.5
242.67775	0.6
245.04308	0.5
271.02405	1.5
279.23306	1.1
295.22626	0.7
299.02011	3.4
300.02399	0.7
331.19052	0.7
347.07581	0.9
353.08774	1.0
365.08752	3.8
379.10187	0.6
387.16592	0.9
413.08835	0.8
449.10510	1.2
473.10965	25.2
474.11154	2.7
491.12061	17.8
492.12061	2.2
505.13110	2.0
537.22675	0.6
541.13849	3.4
549.19788	0.7
606.35596	1.8
607.37042	4.6
625.15381	2.1
625.37799	2.4
667.16809	43.3
668.17151	8.6
711.21277	0.7
711.34686	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	709.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43647	0.4
57.03319	0.5
59.01271	1.0
61.98703	1.1
71.58104	0.9
76.43371	0.4
78.95801	1.0
95.38930	0.4
97.06487	0.6
99.04397	0.5
105.76672	0.5
123.08056	0.4
125.09648	2.5
141.12741	0.9
147.70418	0.4
149.09660	0.9
152.99487	0.5
163.19238	0.4
167.93190	0.4
168.23544	0.4
185.11783	6.9
186.12109	0.4
195.79735	0.5
195.81732	0.6
197.11775	1.8
249.22084	0.5
293.21289	100.0
294.21637	9.8
713.33331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52224	0.3
56.74923	0.2
59.01239	0.9
61.98699	0.6
65.83412	0.3
70.14478	1.3
78.95794	11.6
80.96401	0.4
88.98653	0.3
96.96834	0.6
98.46239	0.3
110.97778	0.3
110.98453	5.3
116.97127	0.3
119.94537	0.3
119.95338	0.2
152.99519	3.5
153.94543	0.2
167.01080	2.4
170.91109	0.2
171.10248	0.6
177.27696	0.2
209.11830	0.4
215.70517	0.2
255.23335	0.8
261.22427	0.4
264.02649	0.3
275.20230	0.4
277.21762	1.8
278.08783	0.2
278.22171	0.7
279.23346	100.0
280.23688	9.1
281.24899	1.7
293.21359	0.9
295.23074	0.5
415.22760	0.5
429.24844	0.5
447.25397	3.9
448.25558	0.4
709.48480	8.6
710.48785	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	709.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42997	0.2
59.01268	100.0
60.01605	0.9
61.73863	0.2
61.98725	0.7
71.01276	0.5
71.59135	0.3
78.95798	4.1
83.04917	0.3
85.02850	0.3
96.96875	0.4
101.02393	0.3
108.02081	0.3
110.98446	0.3
124.41241	0.2
125.09658	0.2
127.11234	0.2
152.01152	0.3
152.99541	5.1
155.10811	0.2
163.11304	0.2
165.09134	0.2
171.00655	0.5
171.10260	0.3
201.11317	5.2
202.11713	0.3
209.11832	5.9
210.12198	0.3
213.11313	0.4
227.03264	0.3
227.12964	0.7
238.05980	0.2
245.17738	0.2
253.21779	0.9
277.21811	12.7
278.22202	1.3
279.23373	3.5
280.23828	0.4
281.25006	0.2
381.13113	0.2
389.22043	0.3
411.14600	0.2
429.15619	0.2
443.72720	0.2
455.16830	0.9
473.18085	4.5
474.18384	0.4
691.38477	0.9
692.39001	0.3
709.39435	9.1
710.39929	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	709.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59253	0.7
57.03341	2.3
59.01262	7.0
61.98698	1.1
69.03361	1.0
71.01272	5.8
71.22681	0.7
73.02833	1.6
75.40253	0.8
78.95801	3.8
80.89788	0.7
80.96424	2.8
81.03348	0.8
83.04926	1.5
85.02848	1.7
87.00774	1.9
89.02345	2.4
95.01293	0.9
95.04929	1.8
97.06493	6.1
98.19791	2.4
101.02361	3.6
113.02384	2.0
133.67993	0.7
145.04933	0.7
151.11218	16.5
152.99524	4.9
161.04530	1.0
169.12303	48.2
170.12665	2.3
171.10237	1.0
194.83018	0.7
195.10239	2.7
213.11340	7.0
225.11342	2.0
235.08234	1.7
253.09274	2.7
255.23390	5.8
277.21799	53.7
278.22195	6.1
390.92111	0.9
431.19263	2.0
449.20557	2.3
638.67712	0.8
691.37897	1.1
709.41772	100.0
710.42212	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03346	1.9
58.00486	0.4
58.66103	0.4
59.01266	12.2
61.98724	2.0
68.76758	0.3
69.51343	3.2
71.01272	5.5
72.99232	0.5
73.02843	1.6
75.92370	0.4
78.95794	3.5
80.96413	1.1
81.03364	0.4
83.01267	0.8
83.04937	0.8
85.02859	1.5
87.00776	0.8
89.02345	4.0
94.97987	0.4
95.04912	0.8
97.06492	2.9
98.19904	0.6
99.00784	0.6
100.74590	0.4
101.02345	3.5
110.98441	0.9
113.02346	2.6
117.86594	0.4
119.03396	0.9
125.09618	0.5
143.03444	0.5
149.09656	0.4
151.11227	13.8
152.99519	3.2
161.04520	1.3
169.12302	97.6
170.12634	4.9
171.00630	0.5
171.10254	1.3
179.05522	0.9
185.11865	0.6
191.72231	0.4
193.88286	0.4
195.10275	1.7
207.10158	0.7
209.11871	0.5
213.11319	11.7
214.11642	0.8
225.11340	0.9
235.08267	1.0
252.91743	0.4
253.09384	3.8
255.23395	3.7
277.21786	28.8
278.22174	3.0
279.23380	10.5
280.23666	0.8
431.19446	2.6
449.20401	6.8
450.20688	1.0
453.15317	0.6
547.37299	0.5
608.53168	0.5
691.38647	1.0
709.41766	100.0
710.42053	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	709.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57890	0.5
55.01772	2.6
57.03333	2.0
59.01269	26.9
61.98717	4.6
69.03365	1.1
71.01274	30.7
71.30539	1.2
71.30864	0.9
72.99193	2.6
73.02839	11.5
75.00764	1.7
78.95770	1.6
79.76974	0.7
81.03333	0.9
83.01272	5.2
83.04929	0.9
85.02849	15.8
85.99979	0.7
87.00784	4.1
89.02345	9.4
93.03353	6.8
93.88587	0.8
95.01289	2.9
96.95911	5.7
97.02824	1.4
99.00793	4.6
101.02350	26.3
102.02649	0.7
105.48585	0.6
109.02905	0.8
111.00806	1.7
111.04443	2.3
113.02356	13.5
117.03411	1.1
119.03458	3.8
119.04967	4.9
120.99622	0.7
121.02874	0.9
123.04444	5.2
125.02354	1.6
127.51135	0.6
129.01797	0.9
133.02861	2.4
134.03668	1.4
135.04471	3.3
137.02357	2.6
143.03424	1.3
145.02898	3.9
147.04381	0.8
149.05902	0.6
152.99478	0.8
153.01840	1.4
153.05522	5.6
155.03462	1.4
159.02943	2.7
161.02380	2.7
161.04503	8.8
163.03949	4.1
164.04402	0.6
164.07143	0.7
165.09303	0.6
173.04544	7.1
175.03978	1.0
177.01901	1.4
179.03445	2.7
179.05501	0.8
191.05595	17.7
192.06017	1.1
193.05031	1.3
211.07733	0.7
279.23401	1.1
283.02255	1.0
319.08337	0.9
337.09457	1.3
339.10925	0.7
375.20410	1.5
400.99701	0.7
411.32761	0.8
487.33997	3.2
505.34427	0.8
605.40607	9.1
606.41162	1.2
616.05670	0.7
647.83643	0.8
649.39618	100.0
650.39923	21.4
665.31787	1.0
667.39124	6.6
673.30969	1.6
695.26202	0.8
707.55347	0.7
709.29315	2.4
709.40912	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	709.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84707	0.6
59.01263	12.3
61.98464	0.6
61.98720	6.9
62.58400	0.7
64.56963	0.6
69.03343	0.8
70.86140	0.7
71.01267	5.9
71.60002	0.8
72.99198	1.3
73.02831	0.9
75.00773	0.7
78.95803	1.3
83.01292	0.9
85.02832	3.6
87.00771	1.0
93.03347	2.2
95.01310	0.8
96.95910	4.2
99.00736	0.9
101.02368	3.3
112.17893	0.6
112.80882	0.6
113.02368	2.9
116.63963	0.6
117.03395	0.7
119.04941	1.8
122.34016	0.6
123.01945	0.6
132.02086	1.3
133.02873	1.3
134.03691	3.7
135.04533	1.3
137.02402	1.1
145.02840	0.7
149.06142	0.7
151.07588	0.7
160.01636	5.5
161.02306	1.2
163.03983	1.2
173.04556	3.8
175.03955	8.8
175.07468	0.8
178.02660	1.0
187.07622	1.5
191.05579	3.6
193.05000	3.6
275.09323	1.2
275.72946	0.7
276.09778	1.1
313.18024	0.9
319.08310	0.8
388.07782	0.7
389.16141	0.8
450.15262	0.9
487.34439	8.8
488.34659	1.6
564.21564	0.8
605.26202	2.3
649.39709	100.0
650.40057	23.6
650.51111	0.8
665.28516	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	709.3952
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
59.01268	6.4
60.37961	0.7
61.98719	26.9
71.01266	1.0
71.30903	0.9
71.50592	1.0
73.02803	1.1
78.95799	40.4
80.96420	1.5
83.04922	3.6
84.02058	0.8
89.02340	1.1
96.96879	3.1
101.02330	0.9
107.65455	0.7
111.85947	0.7
125.09613	2.0
127.11209	3.6
135.08067	1.0
139.11227	0.8
151.11264	1.6
152.99541	56.5
153.99892	1.5
163.11223	3.4
165.09201	1.8
165.12802	1.7
169.12308	11.6
171.00609	8.4
171.10228	2.4
172.75919	0.7
181.12326	0.8
183.10344	1.2
199.09770	1.5
201.11316	57.4
202.11656	3.0
209.11830	66.9
210.12079	4.8
213.11266	2.0
225.11340	1.6
227.03334	4.5
227.12915	5.5
229.18599	0.8
245.04402	1.7
245.13986	1.4
253.21741	9.9
255.23376	3.6
260.39581	0.8
261.79892	0.8
277.21817	13.2
278.22177	1.2
315.17029	0.8
363.12247	2.0
381.13272	3.2
389.21924	1.1
394.71365	0.7
398.47430	0.8
411.14468	1.0
429.15582	2.2
437.15683	1.7
449.20279	1.1
455.16861	10.9
456.17105	1.0
473.18060	41.9
474.18588	4.8
665.37646	1.3
691.38629	8.0
692.38300	2.0
701.03253	0.9
709.39618	100.0
710.39893	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	709.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12516	0.4
57.03338	61.3
58.00474	0.9
58.03671	1.2
59.01264	100.0
60.01602	1.1
71.01273	12.6
72.99223	0.7
73.02838	3.3
78.95792	6.6
81.03336	1.0
83.01286	2.8
85.02858	3.4
87.00787	1.1
89.02330	10.7
93.03376	1.2
95.01297	1.0
96.95924	1.4
96.96861	4.4
99.00858	0.6
99.04420	65.9
100.04762	2.2
101.02345	24.0
109.02853	0.8
113.02367	6.3
119.03413	4.3
125.02367	22.9
126.02743	0.7
131.03488	1.0
133.02907	0.7
135.04439	2.4
143.03407	5.0
149.04547	0.8
159.02991	0.6
161.02405	1.4
161.04478	3.9
173.04504	1.4
179.03554	2.3
179.05627	1.8
191.05565	5.0
213.02052	0.6
221.06587	0.7
227.16524	1.1
233.09486	5.6
290.11874	1.0
331.17722	4.6
332.17798	0.6
353.09085	1.6
371.20834	1.3
373.18784	9.4
389.21899	3.1
413.21960	2.9
429.75964	0.6
431.23044	10.7
432.23474	1.3
475.21930	56.6
476.22351	6.8
547.16290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03048	1.3
57.03339	32.0
59.01264	100.0
60.01579	0.8
71.01269	11.2
71.56285	0.9
73.02828	4.3
78.95789	12.3
81.03355	1.1
83.01292	2.2
85.02842	5.9
87.00799	1.3
89.02350	6.0
93.03368	1.5
96.95921	1.6
96.96864	9.3
97.02873	0.8
99.00787	1.3
99.04417	35.1
100.04774	0.8
101.02343	16.6
113.02341	5.5
119.03418	2.1
119.04954	0.8
125.02364	12.9
131.03424	0.6
135.04483	2.4
136.01605	0.8
137.02470	0.7
141.85052	0.8
143.03473	3.2
149.04489	0.7
151.03958	1.0
155.10748	1.0
161.02470	1.2
161.04524	3.5
168.84108	0.6
173.04520	1.7
179.03517	1.4
179.05588	1.7
191.05591	8.0
192.05954	1.1
227.16576	2.3
233.09526	7.6
299.02188	0.9
331.17883	2.8
353.09018	1.1
357.13608	1.5
371.20807	2.2
373.18753	5.4
389.21793	4.3
413.21887	1.2
431.22946	16.1
432.23404	2.2
475.21933	28.1
476.22406	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23230	0.6
59.01267	1.5
65.54047	0.4
65.68195	0.5
69.03314	0.5
71.01270	1.2
73.02827	0.5
78.95786	0.6
80.55146	0.5
85.02839	4.8
87.00759	1.2
88.95071	0.5
93.03359	3.3
96.95919	13.4
101.02310	0.6
109.02869	0.6
111.04443	0.6
113.02306	0.6
119.04982	1.0
121.02865	2.9
127.03938	1.3
163.03947	2.1
173.04500	1.9
191.05583	100.0
192.05925	4.3
229.32382	0.5
238.59563	0.4
239.06084	1.1
249.06216	1.4
337.09351	26.5
338.09769	2.1
371.10022	4.6
406.75397	0.5
663.28766	0.6
709.20245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93040	0.2
55.36391	0.2
59.01266	100.0
60.01598	1.2
61.25628	0.2
61.72440	0.2
61.98755	0.2
62.37191	0.2
66.12781	0.2
69.71799	1.0
69.72210	0.3
71.01276	0.8
78.95791	0.5
80.74758	0.2
81.05210	0.2
89.02351	0.5
91.02087	0.2
98.19798	0.4
101.02344	0.3
113.02343	0.3
119.03442	0.3
142.82878	0.2
152.99519	0.3
190.62810	0.2
196.64311	0.2
211.13445	0.3
218.49001	0.2
270.04773	0.2
277.21796	18.8
278.22122	2.2
279.23175	0.3
291.23428	0.7
319.23184	0.2
328.67059	0.2
387.20160	0.4
707.45685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37335	0.1
54.60453	0.1
56.50666	0.1
59.01265	100.0
60.01599	1.0
71.01275	0.6
71.49839	0.2
73.02833	0.2
77.93439	0.2
78.95794	0.8
79.81129	0.1
86.41460	0.1
87.00739	0.1
89.02333	0.3
101.02361	0.2
111.00080	0.1
113.02375	0.2
131.38826	0.2
152.99461	0.7
161.38838	0.1
171.10197	0.2
207.10345	0.3
218.09499	0.1
225.11378	0.4
229.16693	0.2
232.41710	0.1
233.22311	0.2
255.23375	0.2
277.21774	17.5
278.22076	1.6
291.23477	0.4
387.20621	0.4
426.46402	0.1
453.15121	0.2
471.16541	0.3
590.21906	0.2
664.78363	0.2
670.38733	0.2
689.36914	0.2
707.39050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01792	0.7
57.03342	0.7
58.00486	0.9
59.01269	100.0
60.01611	1.2
64.52000	0.3
69.03354	0.7
71.01276	28.4
72.01614	0.6
72.99215	1.2
73.02841	17.6
75.00798	0.4
82.27713	0.3
83.01279	5.7
84.01601	0.3
85.02851	6.6
85.03358	0.4
87.00777	1.7
89.02348	12.7
93.03371	1.0
95.01292	2.4
96.95295	0.7
96.95919	10.2
97.02829	0.5
97.36948	0.3
99.00822	1.0
101.02352	18.3
108.02120	0.4
113.02365	17.2
114.02766	0.4
119.03437	5.4
119.04922	0.4
124.01575	0.4
125.02386	2.5
131.03452	1.9
134.03636	0.4
143.03438	3.1
145.02766	0.4
149.04503	1.8
152.01149	0.3
153.28665	0.3
155.03505	1.0
161.04533	7.0
173.04504	0.7
179.03513	0.7
179.05577	3.2
191.05583	2.1
195.06609	0.6
203.05635	0.8
221.06659	1.0
229.42003	0.4
267.07263	0.4
334.62054	0.4
355.21368	0.6
373.02252	0.3
387.10898	0.4
419.37805	0.4
480.84140	0.4
499.25586	10.1
499.32407	0.6
500.25970	1.5
517.26685	20.1
518.27161	2.7
535.27679	4.9
536.28491	0.8
559.27692	13.4
560.28339	2.0
577.28809	12.9
577.37762	0.6
578.29065	2.5
619.29626	1.6
716.51166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67807	0.2
55.01758	0.3
57.03337	0.6
59.01268	100.0
60.01608	1.2
67.01777	0.5
69.03314	0.3
69.56157	1.7
71.01270	7.2
72.99227	0.4
73.02841	2.3
73.42371	0.2
74.16185	0.2
75.00787	0.4
78.95795	4.9
82.81985	0.2
83.01284	0.7
85.02849	4.0
85.67250	0.2
87.00768	1.2
88.44974	0.2
89.02338	2.8
93.03358	3.8
95.01317	0.4
96.95927	0.4
96.96871	3.8
97.02844	0.3
99.00810	1.0
99.04435	0.3
101.02345	4.3
111.04483	0.6
112.91806	0.3
113.02357	2.8
119.03426	0.8
119.04971	0.9
121.02894	0.3
125.02357	0.2
129.01929	0.4
135.04488	0.8
137.02429	0.4
143.03467	0.5
155.03436	0.4
159.02934	0.3
161.04500	2.2
163.04004	0.8
172.93594	0.2
173.04518	2.3
179.03439	0.3
185.06163	0.5
185.07707	0.3
191.05585	4.6
191.07127	0.4
192.05969	0.5
195.08180	1.0
195.51024	0.2
197.09720	1.9
203.12917	0.8
221.09799	0.9
233.09492	4.1
234.09984	0.3
245.14081	0.5
249.09288	0.6
265.08691	0.4
285.04477	0.3
290.11691	0.5
369.19415	1.0
387.20331	5.4
387.25006	0.4
388.20544	0.6
429.21408	15.2
430.21796	1.8
431.19534	0.3
473.14526	2.7
473.20389	0.4
474.15182	0.6
489.17770	0.7
515.15918	0.9
533.17157	0.8
663.25208	1.3
707.21674	1.6
707.68433	0.3
708.21960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.9
57.03333	1.0
58.00486	1.0
59.01266	100.0
60.01604	1.5
62.25490	0.3
67.58139	0.3
69.03355	1.0
69.24213	0.7
69.24610	3.7
71.01274	30.1
72.99194	1.7
73.02840	18.0
75.00755	0.7
83.01279	4.9
84.35381	0.4
85.02847	7.5
87.00776	2.0
89.02340	13.9
93.03366	1.2
95.01285	2.5
96.95913	9.8
97.02860	0.8
99.00795	0.4
99.04426	0.5
101.02350	19.0
113.02357	18.1
114.02700	0.8
119.03423	4.5
119.04967	0.5
125.02328	1.8
127.03901	0.4
131.03429	1.9
143.03450	2.8
149.04503	2.0
152.01106	0.4
155.03505	0.9
161.04521	6.7
163.03984	0.5
173.04521	1.0
179.05579	2.9
187.72260	0.4
191.05588	3.6
203.05608	1.0
219.24924	0.4
221.06677	0.8
245.58298	0.4
355.21149	0.6
387.11124	0.5
499.25632	9.4
499.32535	0.6
500.26163	1.0
517.26666	18.7
518.26831	2.6
535.27795	5.2
536.28845	0.6
555.79718	0.4
559.27722	13.5
560.28271	2.1
577.28796	12.8
577.37622	0.5
578.29547	1.6
619.29736	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	707.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08984	0.2
53.03559	0.2
54.54643	0.2
55.74332	0.2
56.75072	0.2
57.03338	0.4
59.01265	1.0
61.98716	0.8
65.00214	0.2
66.84322	0.2
71.01270	0.6
72.99233	0.2
75.00779	0.2
78.95737	0.2
80.35246	0.2
81.03362	1.1
83.01302	0.3
83.04940	0.2
85.02831	0.4
85.06483	0.2
87.00787	0.3
88.98730	0.2
89.02352	0.2
89.03856	1.5
93.03362	0.6
95.04931	0.2
96.95937	0.9
97.02818	0.3
100.33773	0.2
101.02335	0.2
104.02576	0.3
105.03362	2.4
109.02879	0.3
109.06492	0.6
110.06908	0.2
111.04424	0.9
111.08068	0.7
119.03519	0.2
119.05042	0.2
122.03662	0.3
123.08076	0.2
123.57561	0.2
125.02386	1.3
126.02722	0.3
127.02890	0.2
127.07565	0.4
133.02884	6.4
135.04472	1.6
137.02385	0.2
148.01584	0.5
149.02379	0.8
151.07593	5.2
152.07938	2.0
153.08136	0.4
163.03967	0.4
173.04558	0.3
173.05922	0.2
173.08148	1.7
176.01076	1.8
177.01895	100.0
178.02234	5.1
179.03436	0.3
181.05016	0.7
191.05566	1.7
191.07129	0.3
195.06612	17.4
196.06956	8.2
197.07126	2.7
203.99774	0.2
205.08658	0.3
207.10373	0.2
207.12889	0.2
208.83759	0.2
209.11745	0.4
213.14821	0.3
215.07256	0.2
231.10292	0.3
239.70134	0.2
275.09317	0.3
317.12598	0.2
327.76611	0.2
329.17618	0.3
331.19196	0.6
339.07199	2.3
340.07529	0.3
345.46976	0.2
347.18588	0.9
348.18979	0.7
349.10992	0.2
349.19501	0.4
357.11957	0.6
358.12344	0.6
359.12515	0.4
365.31976	0.2
449.14383	1.0
450.15469	0.2
464.36395	0.2
543.46918	0.2
671.27222	25.1
672.27631	4.9
706.30774	0.4
707.31598	2.4
708.32263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
67.01779	0.1
69.03350	0.1
70.65499	0.1
71.01276	0.3
71.03334	0.1
71.03654	0.1
72.83300	0.1
73.02856	0.1
74.65198	0.1
83.04890	0.1
85.02840	2.8
86.03143	0.1
87.00767	0.7
88.16755	0.1
93.03355	1.2
94.28841	0.1
95.87923	0.1
99.04412	0.1
99.21965	0.1
100.19470	0.1
109.02869	0.4
111.04428	0.4
127.03922	0.8
128.12361	0.1
133.02899	0.4
135.04453	0.8
136.04755	0.1
143.03406	0.1
155.03484	0.1
161.02374	1.8
163.42203	0.1
171.02950	0.2
171.04305	0.1
173.04509	0.7
179.03459	0.7
191.05582	100.0
192.05925	3.9
192.07718	0.1
215.05644	0.1
266.89737	0.1
288.25717	0.1
292.96985	0.1
338.21753	0.1
351.07309	0.1
352.07748	0.1
353.08841	13.8
354.09161	1.3
535.49628	0.1
587.28973	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	707.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
59.01271	0.5
61.98711	1.1
69.91534	0.1
71.01265	0.3
71.59606	0.1
78.95785	0.1
79.95629	2.8
85.02841	0.3
87.00775	0.1
88.98734	0.1
89.02323	0.2
93.03331	0.2
96.95913	100.0
97.95844	0.3
97.96385	0.2
101.02365	0.2
109.02830	0.1
113.02385	0.1
117.03353	0.1
121.02838	0.5
123.08145	0.1
125.02322	0.1
133.02878	0.9
134.03685	0.5
135.04442	1.1
137.02325	0.1
151.07518	0.2
161.02397	2.4
162.02753	0.2
163.68359	0.1
173.04544	0.1
179.03534	0.7
179.07088	2.0
179.08572	0.2
191.05580	0.5
193.05031	0.5
195.06560	0.2
224.09427	0.1
299.02142	0.1
299.31555	0.1
329.17444	0.6
330.18027	0.1
331.19360	0.1
341.12479	0.2
348.19370	0.1
409.65137	0.1
457.38211	0.1
466.64090	0.1
545.34283	0.1
609.25464	1.4
610.26080	0.2
671.30103	0.2
676.81244	0.1
707.40961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.2
61.98706	0.5
71.01279	1.3
71.04914	0.8
71.58580	0.3
72.99205	0.4
73.02849	0.3
78.95777	0.3
81.03328	0.3
83.01271	0.3
85.02839	0.8
89.02332	0.5
93.03364	0.6
93.62579	0.2
101.02348	0.7
107.04944	0.7
113.02309	0.4
117.03333	0.3
119.04904	0.4
123.04443	0.8
123.08093	1.4
127.07540	0.3
133.02797	0.3
134.03671	2.2
135.04449	100.0
136.04785	4.2
151.03947	2.9
151.07588	0.6
152.07872	0.4
152.99527	0.3
160.48285	0.2
163.03876	0.3
173.04498	0.3
175.69458	0.2
177.01826	0.2
177.05583	0.4
179.03465	13.6
180.03754	0.5
189.09196	0.5
191.05595	1.8
191.07126	0.6
195.06612	2.5
196.06960	1.3
197.07176	0.4
197.11824	0.5
205.08740	0.7
245.11511	0.2
263.13159	0.4
297.09848	4.3
298.10248	0.3
309.20767	1.4
329.17685	4.4
330.17996	0.5
331.19177	0.7
341.08835	5.7
342.09164	0.5
347.18768	1.7
348.19119	0.3
349.19574	0.3
358.12439	0.3
377.06467	4.2
378.06848	0.3
397.13388	0.3
404.41544	0.2
604.37170	0.5
627.28137	2.0
628.29095	0.3
671.27216	15.5
672.27631	3.4
676.79803	0.3
707.24554	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	707.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66658	0.1
59.01257	0.3
65.93252	0.1
69.60526	0.7
71.01267	0.2
77.29932	0.1
78.11520	0.1
79.95631	2.7
82.92979	0.1
84.01604	0.1
93.03336	0.1
96.95914	100.0
97.95852	0.5
107.01278	0.1
109.02824	0.1
133.02885	0.2
134.03619	0.1
135.04474	0.1
151.00249	0.2
151.28909	0.1
161.02435	0.1
173.04553	0.2
175.49173	0.1
179.03514	0.2
191.05646	0.6
221.33832	0.1
243.03011	0.2
255.03073	0.4
257.81265	0.1
271.02481	0.9
300.02817	1.6
301.03452	0.7
353.09015	0.1
515.11804	0.1
609.14673	2.2
610.15399	0.3
629.74310	0.1
707.19043	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	706.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80230	0.1
56.06623	0.1
59.01263	0.7
61.98719	100.0
62.98420	0.2
64.71403	0.1
69.23376	0.1
69.89132	0.1
69.89546	0.3
71.98093	0.1
72.05307	0.1
74.72864	0.1
78.95824	0.1
81.03373	0.1
82.68119	0.1
85.02861	0.1
88.98698	0.1
91.01829	0.1
93.03370	0.2
96.95902	0.1
101.02357	0.1
121.02869	0.2
122.03336	0.1
123.04462	0.2
123.08082	0.2
125.02389	0.3
126.02721	0.1
133.02953	0.1
135.04393	0.1
136.01591	0.1
151.03960	1.4
152.03470	0.4
152.04553	0.5
153.04504	0.1
154.04796	0.1
161.02444	0.1
162.03210	0.1
167.03465	0.8
168.03784	0.1
173.04541	0.1
177.05632	0.2
179.07094	0.1
191.05612	0.2
191.07147	0.1
191.68497	0.1
192.07565	0.1
193.05148	0.1
195.06670	0.2
201.42419	0.1
205.08549	0.1
206.09146	0.1
217.51289	0.1
250.35834	0.1
272.32288	0.1
275.09317	0.1
329.09143	0.1
329.17639	0.6
330.18121	0.7
331.18384	0.7
332.18948	0.3
347.18829	0.2
348.18930	0.2
349.19421	0.2
350.19849	0.1
600.47003	0.1
662.28650	0.1
706.31219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90646	0.3
59.01265	1.9
61.98713	0.7
65.85646	0.3
70.03728	1.3
71.01275	0.3
78.95795	10.4
92.92719	0.4
92.94681	0.2
94.92414	0.5
96.92098	0.3
110.98442	6.4
116.97176	0.6
124.95073	0.3
140.34903	0.3
141.01663	0.4
152.99591	1.3
162.39108	0.3
167.01099	2.7
191.05547	0.5
202.77466	0.3
233.22755	0.5
241.21660	0.6
255.23219	0.7
259.20642	0.6
277.21777	100.0
278.22134	9.4
387.63492	0.3
427.22586	1.5
440.05087	0.3
445.23712	5.2
446.24216	0.3
469.25720	1.1
483.27533	0.4
518.22705	0.3
576.48938	0.3
581.05304	0.3
705.45197	9.2
706.45752	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	705.424
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00496	0.8
59.01268	100.0
60.01617	0.7
61.98712	0.3
69.03365	0.4
71.01265	5.4
72.99207	0.5
73.02842	3.1
75.00790	0.4
78.95802	0.9
81.03366	1.0
83.01292	0.7
83.04919	8.1
85.02854	1.2
85.62276	0.2
87.00805	0.3
89.02338	2.6
95.01324	0.3
97.06523	0.6
99.00728	0.4
101.02357	3.7
113.02375	2.6
119.03442	1.1
119.23503	0.3
121.06510	0.7
125.02365	0.7
125.06016	0.9
139.07588	0.6
143.03462	0.4
145.31284	0.3
152.99507	0.7
161.04485	2.2
163.11247	1.3
165.12791	0.9
178.40652	0.3
191.05644	0.3
191.11005	0.5
205.12357	1.2
209.11823	45.3
210.12117	2.1
235.08258	0.6
253.09309	3.2
255.21194	0.5
259.20798	0.5
261.22415	0.7
263.23801	0.6
273.22269	3.0
275.15677	0.3
275.20068	0.3
277.21793	73.5
278.19412	0.4
278.22168	5.0
289.21933	0.6
291.23373	24.5
292.23727	2.2
301.21823	3.7
302.22156	0.5
319.22873	13.9
320.23129	1.2
331.22824	0.9
335.22565	0.4
349.23917	1.8
373.23914	0.9
379.24881	0.9
469.15012	0.5
705.42157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36354	0.2
50.65461	0.2
50.84031	0.2
57.03339	1.3
59.01266	3.7
61.98711	0.6
62.63562	0.2
65.00214	0.9
67.01777	0.3
69.03365	0.4
71.01266	1.9
71.60490	0.5
72.99194	0.6
73.02840	0.4
75.00760	0.6
76.50088	0.2
78.95794	0.5
81.03358	4.7
83.01282	1.9
85.02827	1.4
85.06516	0.4
87.00766	0.3
87.41211	0.2
89.02348	1.3
93.03368	1.1
95.01286	0.4
95.04942	0.3
96.95908	0.5
99.00763	0.5
101.02361	0.7
103.08807	0.2
106.06488	0.4
107.01286	0.5
107.04939	2.2
108.02087	0.3
108.04414	0.2
109.02859	0.4
109.06512	1.9
110.06923	0.2
111.00828	0.3
111.04428	2.7
113.02361	0.8
119.04912	0.5
121.02854	0.5
122.03633	1.2
123.04440	9.0
123.08073	0.7
124.04749	0.5
125.02370	8.4
127.03929	0.3
127.07609	0.3
131.03523	0.3
133.02866	0.4
133.06557	0.3
135.04442	0.9
136.01599	3.3
137.02350	0.6
139.03970	0.3
149.02394	0.8
149.06036	0.3
150.19582	0.2
151.00348	2.0
151.03961	14.9
151.07593	23.7
152.04291	0.9
152.07901	1.2
153.05537	0.4
161.02336	0.5
163.03938	0.4
166.02615	0.4
167.03455	34.5
168.03806	1.2
177.05524	0.8
179.03430	0.3
181.05035	1.2
191.03557	0.3
191.05537	1.6
191.07126	2.0
193.05060	3.9
195.06615	100.0
196.06960	5.5
197.07773	0.2
205.08665	1.1
207.10231	0.2
209.04558	0.3
209.11745	0.4
211.06133	5.7
211.08086	0.3
211.09634	0.3
212.06247	0.3
219.06613	0.4
221.08128	0.3
227.12607	0.2
237.07767	0.5
253.09822	0.3
277.21774	0.4
323.85229	0.2
329.08850	3.0
331.19232	7.7
332.19638	1.1
339.11124	0.2
347.18726	13.2
348.19083	2.2
349.19592	0.5
357.12027	6.0
358.12341	0.4
373.11649	1.2
385.05191	0.3
397.20605	1.0
397.70813	0.3
439.32254	0.4
487.34448	0.3
529.24780	0.3
609.28369	1.0
609.78497	0.7
629.23187	1.0
661.28833	0.4
673.21564	0.4
675.30731	4.8
675.80835	2.8
676.30994	1.0
687.31818	0.4
705.31506	4.5
706.32007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82512	0.3
54.57461	0.3
59.01264	2.8
60.50038	0.4
61.98710	1.1
64.39131	0.4
69.55063	2.6
71.01273	2.1
72.99199	19.8
75.00773	2.1
78.95802	0.5
83.01246	0.5
85.02852	1.5
87.00764	0.8
88.98702	0.8
89.02315	1.2
92.30167	0.3
93.03357	1.3
96.95925	1.6
97.02862	0.5
98.20563	0.4
99.00781	0.6
101.02338	0.6
107.04929	0.8
108.02078	8.2
108.02818	0.5
111.00744	0.5
113.02360	1.1
117.03347	0.7
119.04940	0.8
121.02875	1.1
122.03687	1.7
123.04446	10.9
125.02398	0.9
131.03398	0.5
133.02878	1.0
134.03664	27.1
135.04396	1.5
136.01573	0.7
137.02376	2.6
139.03928	1.0
149.02361	1.0
149.06020	6.5
150.03168	13.1
150.06314	0.4
151.03801	0.8
151.07642	0.5
152.01108	0.4
153.05524	0.4
155.03516	0.4
161.02420	1.7
161.09679	0.5
162.03162	0.4
163.03966	0.5
163.11282	0.7
164.04749	0.5
165.05527	15.7
166.05922	1.0
167.03482	2.5
167.07082	0.6
173.04468	1.1
177.01819	1.2
178.02666	8.2
179.03389	0.9
191.05554	1.7
191.07132	3.2
192.04240	0.7
193.05032	37.6
194.05342	1.9
195.06569	1.9
196.06850	0.6
197.11774	0.6
205.08672	1.7
209.11946	0.6
211.06108	100.0
212.06451	5.6
221.04549	0.4
253.07283	0.4
274.46902	0.3
331.19199	11.1
332.19604	1.3
355.10361	1.2
373.11472	30.1
374.12000	2.3
386.82611	0.4
439.32303	0.6
462.95438	0.4
463.22537	1.6
463.73343	0.5
467.40488	0.4
483.19031	3.0
484.19067	0.6
490.00113	0.4
609.28558	1.2
675.30450	1.0
675.81403	0.7
687.32233	0.5
705.31427	56.9
706.31793	12.9
706.44385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00052	0.2
59.01265	7.1
60.99203	0.3
61.98717	2.8
71.01273	1.0
71.57991	0.5
73.02842	0.6
78.95805	0.5
85.02822	0.4
87.00768	0.4
88.98700	1.0
89.02342	0.8
92.02586	0.5
93.03394	0.3
95.01307	2.7
97.02859	0.5
99.00774	0.5
101.02361	0.3
108.02097	2.4
113.02431	0.3
121.02895	0.3
123.00813	0.4
123.08065	0.4
130.10155	0.3
133.02901	0.6
134.03680	1.1
135.04459	0.5
136.01596	15.8
137.02135	0.3
139.03912	0.3
147.08070	0.5
148.48738	0.2
149.06090	0.3
151.03954	100.0
152.03302	0.3
152.04326	3.7
161.02417	0.8
161.09708	0.4
163.11218	0.7
172.05286	0.4
173.04498	0.3
177.01773	0.3
178.02655	0.8
187.07632	3.1
188.07988	0.3
189.05547	0.6
191.05591	0.9
191.07155	4.7
193.05063	3.3
195.06618	1.6
205.08678	3.6
206.09236	0.3
207.10210	0.7
209.11827	2.0
213.14964	0.3
215.07086	1.9
221.08206	0.6
225.11305	0.6
227.03529	0.4
229.08693	0.3
231.06601	1.4
257.08203	2.3
258.08719	0.3
269.19107	0.3
275.09186	0.3
277.21835	1.3
313.18173	1.3
331.19223	44.2
332.19565	6.1
349.20303	1.7
477.21527	0.4
501.32556	0.5
608.24664	0.3
620.34668	0.3
651.30267	0.8
661.28638	2.5
662.28540	0.5
669.31744	0.3
705.30511	1.8
706.30402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.5
59.01270	0.7
59.68189	0.2
61.98728	1.0
65.00224	0.5
71.01286	0.5
71.57961	0.3
81.03345	3.7
82.03683	0.2
83.01288	0.8
83.04897	0.3
85.02854	0.3
85.06493	0.5
87.04413	0.4
89.02341	0.4
93.03367	0.3
96.95895	0.2
97.02873	0.2
101.02358	0.4
107.01292	0.7
109.06510	2.0
111.04422	3.1
113.02348	0.4
117.03377	0.2
122.03657	1.4
123.08072	0.7
125.02366	4.9
127.07601	0.3
127.89320	0.2
134.03696	0.2
135.04439	0.6
143.03397	0.2
149.02388	0.5
151.00391	0.9
151.07591	25.5
152.07942	1.2
153.05519	0.4
162.03247	0.4
163.11237	0.2
169.12265	0.6
171.34808	0.2
173.04524	0.2
175.03969	0.2
177.01945	0.3
177.05602	1.2
191.05565	0.5
191.07188	0.8
195.06609	100.0
196.06963	5.3
205.08751	0.4
209.11826	4.1
210.12212	0.3
219.06667	0.5
227.12935	0.6
237.07718	0.5
312.56467	0.2
323.10181	0.2
339.10944	0.3
347.18707	8.7
348.19067	0.8
357.11993	7.1
358.12509	0.4
365.19574	0.2
463.58417	0.2
662.74438	0.2
705.19360	0.3
705.31451	4.6
706.31573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48262	0.1
57.03339	0.8
59.01273	0.7
61.98717	0.7
65.00202	0.7
67.01797	0.1
69.03352	0.3
71.01271	0.4
71.58742	0.2
72.99213	0.2
78.95802	0.2
80.02610	0.1
80.91553	0.1
81.03349	4.4
83.01276	0.9
85.02863	0.5
85.06500	0.6
87.04414	0.4
89.02319	0.2
93.03391	0.3
96.95904	0.3
97.02837	0.3
97.45068	0.1
101.02329	0.1
107.01266	0.6
108.02081	0.2
109.02847	0.1
109.06506	2.4
110.06879	0.1
111.04427	3.5
113.02383	0.3
113.60783	0.1
119.04907	1.0
121.02876	0.2
121.06492	0.1
122.03651	1.4
123.04446	0.3
123.08031	0.3
125.02370	5.9
126.02703	0.3
127.07578	0.3
133.06596	0.2
135.04433	0.3
143.03442	0.2
145.02818	0.2
148.01622	0.2
149.02364	0.5
151.00334	1.1
151.07588	28.5
152.07936	1.7
153.05576	0.4
161.02405	0.5
161.04492	0.1
162.03241	0.2
163.03963	0.7
163.07552	0.2
163.11282	0.2
167.03467	0.2
171.10344	0.1
173.04474	0.2
175.03967	0.2
177.05511	0.7
179.03455	0.3
191.03630	0.2
191.05589	0.8
191.07155	0.5
192.07230	0.1
195.06604	100.0
196.06941	6.0
197.07225	0.4
205.08716	0.2
207.10191	0.2
209.11777	0.8
219.06650	0.6
237.07675	0.5
265.14471	0.3
271.02658	0.2
277.21890	0.2
285.18857	0.2
299.02182	0.3
329.17612	0.5
330.18250	0.1
339.10974	0.2
347.18710	6.0
348.19293	0.6
357.11978	5.3
358.12262	0.4
468.49869	0.1
674.81604	0.4
701.75031	0.2
705.31378	9.4
706.31696	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	705.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
59.01272	2.7
61.98728	1.8
67.01788	0.4
69.45457	2.8
71.01270	2.3
72.99202	20.9
73.02816	0.6
75.00768	1.5
76.20803	0.4
81.03348	0.3
81.80950	0.4
83.01254	0.4
85.02840	1.1
86.26326	0.3
87.00768	1.0
88.18900	0.3
89.02340	1.2
93.03365	2.5
96.95896	1.7
97.02849	0.3
99.89555	0.3
101.02357	0.8
107.04922	0.9
108.02087	9.8
109.02907	0.5
111.04421	0.4
113.02358	0.9
117.03385	1.0
119.03455	0.4
119.04965	1.0
121.02881	1.1
122.03662	2.9
123.00815	0.4
123.04446	10.6
125.02441	0.4
131.03400	0.4
133.02855	0.8
134.03667	28.4
135.04485	1.7
136.01599	0.9
137.02390	2.9
137.05972	0.7
139.03911	0.9
147.08177	0.4
149.02374	1.4
149.06026	6.9
150.03174	12.7
151.00255	0.7
151.03963	2.0
152.01103	0.9
153.01854	0.5
155.03378	0.4
159.04457	0.4
161.02484	0.4
163.03909	0.5
165.05525	18.1
166.05943	0.5
167.07109	0.7
173.04512	1.5
175.03969	0.4
177.01944	0.4
177.05612	0.6
178.02686	9.4
179.03285	0.6
191.05579	4.5
191.07137	4.8
192.04216	0.9
192.05878	0.5
193.05042	35.5
194.05338	2.2
195.06606	1.0
205.08694	3.9
209.04161	0.4
211.06111	100.0
212.06447	5.1
214.02802	0.4
221.08177	0.8
242.02167	1.0
243.03024	0.7
253.07338	0.5
255.03009	0.7
270.01761	0.5
271.02518	1.6
277.21655	0.4
291.85205	0.3
299.02023	5.7
300.02661	2.0
313.18173	0.6
329.17340	0.4
331.19235	18.8
332.19574	2.0
349.20273	0.4
355.10361	1.0
356.10760	0.4
360.82513	0.4
363.42020	0.4
373.11481	36.4
374.11871	3.0
397.09372	1.1
413.11282	0.4
463.08438	0.5
483.18869	1.9
608.13873	4.5
609.14343	0.8
645.34406	0.5
667.39319	0.4
705.31439	55.7
706.31818	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	705.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86333	0.4
55.97676	0.4
57.03338	1.1
57.53212	0.5
59.01264	5.3
59.56987	0.5
61.92390	0.5
61.98717	2.2
70.41752	0.5
71.01278	3.6
71.56567	0.9
72.99198	18.4
73.02829	0.6
75.00768	2.8
81.03366	1.3
83.01298	0.9
85.02838	2.2
87.00768	0.9
89.02345	2.1
93.03310	0.9
95.01280	0.9
96.95915	1.6
99.00787	0.8
99.04471	0.7
101.02353	1.8
107.04934	0.8
108.02081	7.7
109.02859	0.8
111.00793	0.6
111.04385	0.6
113.02376	2.7
117.03362	1.5
119.03442	0.8
119.04990	0.6
120.42673	0.5
121.02886	1.3
121.06517	0.5
122.03654	2.0
123.04447	14.0
124.04725	0.5
125.02381	3.4
125.09681	0.7
127.07507	0.6
131.03447	1.2
133.02904	1.3
134.03668	27.5
135.04391	2.1
137.02354	2.4
143.03391	0.7
147.04391	0.6
148.05269	0.7
149.02370	1.1
149.06003	7.1
150.03163	11.5
151.03864	1.2
151.07590	3.1
152.07942	1.4
161.02425	5.4
161.09624	0.7
163.03912	0.8
165.05519	16.2
166.05888	0.6
167.03455	7.6
167.07143	1.9
173.04430	1.2
175.03944	0.7
178.02670	7.6
179.03400	1.6
191.05779	2.6
191.07036	2.8
192.04140	0.9
193.05032	34.8
194.05411	1.8
195.04813	0.8
195.06592	12.7
196.06984	5.7
197.07124	1.6
205.08736	2.2
209.11914	0.6
211.06108	100.0
212.06415	5.6
253.07176	0.7
299.02023	0.8
327.16052	0.7
328.16727	0.9
331.19211	12.6
332.19604	1.6
355.10312	1.0
357.11646	0.6
363.14804	0.5
373.11465	31.9
374.11737	2.7
375.65887	0.5
397.20575	0.6
439.32242	1.2
463.22842	2.8
483.19061	2.5
487.34833	0.6
609.03082	0.5
609.28479	2.2
640.73090	0.5
675.30597	4.3
675.80945	1.2
687.30341	0.8
693.54272	0.5
705.31427	64.9
706.31860	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	20.3
60.01590	0.5
61.98721	1.3
63.95796	0.2
71.01272	1.4
71.04903	0.2
73.02855	0.4
75.00763	0.6
75.02300	0.3
78.95777	1.1
83.01284	0.3
85.02845	1.0
89.02394	0.3
89.64513	0.2
91.01790	6.4
93.03355	5.6
95.01302	0.5
96.95844	0.3
97.06472	1.2
98.20660	0.4
101.02341	0.9
105.67677	0.2
107.04926	0.7
108.02062	0.6
111.04450	0.4
113.02354	0.7
117.91635	0.2
117.92482	0.2
119.01302	2.5
120.01579	0.2
121.02864	7.0
122.03223	0.3
123.08071	0.7
127.07599	0.3
133.02864	1.0
134.03609	0.3
135.04449	1.1
136.01614	0.6
137.02405	1.8
145.02921	0.2
147.08115	1.1
149.02370	0.3
151.03947	52.3
152.01080	0.7
152.04294	1.8
152.44232	0.3
152.99533	0.3
161.02422	1.2
161.04529	2.4
161.09633	0.8
163.11240	1.9
173.04512	0.7
175.03854	0.4
179.03447	0.7
191.05563	1.8
191.07101	11.2
192.07445	0.8
194.05846	0.7
195.06332	0.5
205.08681	8.1
206.09305	0.7
209.08188	2.8
210.08484	1.7
211.08720	0.6
221.08215	1.6
229.24709	0.4
230.72874	0.3
269.19260	0.8
277.21698	0.7
281.06757	0.9
287.20355	0.5
299.01596	0.3
299.87451	0.3
313.18240	0.4
331.19220	100.0
332.19556	12.0
339.05154	0.4
349.20303	5.8
350.20667	0.7
361.64276	0.3
490.56909	0.3
588.44598	0.3
705.32233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.4
59.01264	3.8
61.98715	0.6
65.00206	0.7
69.03339	0.2
70.59568	0.4
70.59943	0.3
71.01273	0.6
73.02832	0.3
75.00764	0.3
78.95809	0.3
79.37511	0.1
81.03352	4.4
83.01268	3.1
85.02836	0.9
86.15025	0.2
87.00808	0.2
87.03725	0.2
89.02362	0.5
91.01797	0.5
92.19844	0.2
93.03365	0.6
93.47405	0.1
95.01302	0.1
95.04921	0.6
97.02867	0.2
99.00767	0.3
99.04417	0.3
101.02336	0.3
107.01284	0.8
107.04938	0.7
108.02091	0.1
109.02879	0.4
111.04391	0.2
113.02346	0.5
119.01286	0.3
119.05034	0.2
121.02883	1.1
123.04438	26.8
124.04782	0.7
125.02370	12.2
126.02691	0.5
128.01268	0.2
131.03404	0.2
139.03940	0.4
149.02391	1.5
149.06010	1.7
151.00298	2.8
151.03946	5.3
151.07591	0.8
152.04239	0.3
155.36598	0.2
161.09666	0.2
161.78746	0.2
163.03954	0.4
163.11279	0.2
166.02701	0.3
167.03448	100.0
168.03792	4.3
179.03537	0.2
191.03516	0.9
191.05437	0.4
191.07065	2.5
193.05035	11.9
194.05351	0.6
195.06609	2.1
196.07028	0.2
205.08675	1.5
206.09236	0.3
209.04558	0.7
209.11816	0.2
211.06116	14.8
212.06487	0.6
221.08327	0.2
235.06096	0.3
277.21674	0.2
299.02448	0.2
311.08096	0.2
329.08850	8.1
330.09186	0.7
331.19205	17.2
332.19550	1.7
349.20258	0.6
355.10406	0.6
373.11499	3.3
374.11752	0.2
439.32068	0.2
440.23669	0.2
535.76447	0.2
608.79633	0.6
661.28766	3.6
662.29376	0.8
674.81970	2.1
675.31720	1.2
675.81427	0.4
687.30304	0.5
705.31238	3.7
706.31982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	2.2
61.98704	0.2
62.96284	0.1
67.01777	0.2
71.01271	0.8
73.02845	0.1
78.95798	67.1
81.03314	0.2
83.01248	0.2
85.02838	0.7
87.00773	0.6
89.02357	0.6
93.03356	2.0
95.01234	0.1
95.96109	0.2
96.95967	3.9
96.96867	54.1
101.02354	0.3
102.11199	0.1
107.01290	0.4
109.02846	0.2
111.04420	0.3
115.10323	0.2
119.04948	0.3
125.02364	0.2
133.02904	0.7
134.03647	0.5
135.04448	0.6
137.02411	0.2
139.56873	0.2
145.02899	0.3
149.02379	0.1
151.00323	1.2
151.07594	0.4
152.01086	0.5
155.03412	0.2
160.01590	0.3
161.02414	0.3
161.04533	0.2
163.03947	0.2
173.04523	1.4
175.03925	0.2
177.01930	0.2
178.99846	1.0
179.03517	0.2
181.04939	0.2
181.12416	0.2
191.05594	4.2
193.05057	0.4
195.06609	1.5
205.12357	0.2
215.07227	0.2
219.06615	0.2
233.09506	100.0
234.09839	4.7
253.05051	0.2
309.07990	0.2
311.01929	0.2
333.07718	0.4
351.07364	0.3
352.59436	0.2
353.06677	0.7
361.07422	0.4
378.07574	0.2
379.08337	0.7
397.09381	0.4
399.12781	0.2
442.33105	0.2
527.12018	1.7
528.12085	0.3
705.20435	2.5
706.20868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	0.4
57.03338	2.8
59.01272	3.1
61.98717	1.6
63.02280	6.6
63.22032	0.4
65.00211	9.1
67.01805	0.7
69.03342	0.6
71.01262	2.5
71.59484	0.7
72.99210	0.6
73.02852	1.2
78.62476	0.4
78.95798	1.2
83.01280	8.1
85.02849	1.5
87.00787	1.2
89.02353	1.9
92.85773	0.4
93.03362	2.9
95.01283	1.1
96.95914	4.5
96.96857	0.9
99.00797	0.3
101.02364	2.0
107.01301	18.8
109.02882	1.6
111.00800	0.9
111.04448	0.8
113.02358	1.5
117.84883	0.4
119.04968	1.7
121.02888	1.6
123.00826	0.6
123.04453	0.7
124.01582	5.8
125.02372	13.5
133.02885	1.1
134.03688	1.1
135.00758	0.6
135.04482	2.2
137.02373	1.6
139.00345	0.8
141.01849	0.5
145.02910	1.4
149.02437	0.5
149.04515	0.5
151.00313	67.7
152.01108	16.1
153.01884	5.8
159.04501	1.1
161.02399	1.4
163.00305	1.1
163.04024	2.0
165.01804	0.6
165.05505	0.6
166.99780	0.6
167.03337	0.4
169.01389	12.3
173.04515	2.5
173.06044	2.9
175.03958	1.2
175.07677	0.6
177.01888	2.5
178.99826	72.1
180.00168	2.9
181.01399	1.2
182.03770	0.6
186.06761	0.7
187.03963	1.9
187.07602	2.9
188.04652	0.6
189.01898	0.8
189.05557	3.3
190.02658	1.1
191.03732	0.7
191.05580	8.2
192.06093	0.5
193.01369	0.6
193.05043	1.0
195.06660	2.4
197.06068	1.0
199.07634	2.7
200.04842	2.5
201.05553	1.6
201.09241	0.4
201.11180	0.5
202.06351	0.5
209.04498	0.5
209.06215	0.5
212.04759	0.7
214.02754	0.8
214.06459	0.5
215.07140	25.7
216.07617	2.1
217.08736	3.3
219.06659	0.9
225.05602	2.3
226.02654	0.5
226.06355	1.0
227.03427	0.5
227.07144	3.8
228.04189	0.6
229.01462	0.5
232.03793	1.0
233.09569	0.9
239.03500	0.7
239.07146	0.8
240.04208	0.8
240.07991	0.5
241.01453	0.8
241.05136	2.2
241.08754	0.6
242.02269	0.8
242.05826	1.5
243.03015	0.8
243.06647	3.0
245.08229	0.5
249.05673	0.4
253.05083	4.6
254.05717	2.0
255.03006	2.1
255.06638	0.7
263.07111	0.6
264.04498	0.6
265.05008	0.4
265.08817	0.9
267.06747	1.7
268.07596	0.6
269.08295	1.1
270.05133	0.6
271.02563	4.2
271.06137	5.8
272.02991	0.6
272.06519	0.6
274.04742	0.5
277.05087	0.7
279.06091	0.5
280.07419	0.8
281.08054	0.4
283.09930	0.5
289.08716	0.7
291.06747	0.8
292.07480	0.7
293.04922	0.7
293.08301	1.8
294.05179	0.9
299.02112	4.8
300.02786	8.1
301.03345	1.1
305.08139	0.9
306.05316	1.0
306.08621	0.5
307.06180	0.8
307.09753	0.7
308.07074	0.5
309.07715	1.0
310.08319	0.5
311.02164	0.8
311.09219	1.1
320.45462	0.5
321.04062	1.1
322.04767	1.1
323.09348	0.8
325.07135	1.7
333.03995	0.6
333.07742	4.7
334.08383	1.2
335.09387	0.9
336.06592	1.8
350.04315	0.7
350.08151	0.6
351.08725	1.4
353.06732	1.2
357.12125	0.8
361.07104	3.1
361.11093	0.6
378.07526	1.5
379.08313	9.9
380.08676	0.9
381.09949	0.6
396.08768	0.8
397.09363	29.0
398.09827	3.1
513.10162	0.6
515.11902	0.4
579.17114	1.8
608.13928	2.2
645.35461	0.8
705.20471	100.0
706.20770	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	705.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08777	0.2
57.03334	0.5
58.20985	0.3
59.01253	1.5
60.99191	0.9
64.00452	0.2
67.01772	2.0
69.03342	0.6
69.25016	2.5
69.25426	0.5
71.01275	2.1
73.02834	0.4
74.45441	0.3
76.73230	0.2
81.03352	1.1
83.04911	1.0
85.02843	11.7
86.03152	0.3
87.00772	5.6
93.03357	19.1
94.03677	0.8
96.95876	0.3
96.99224	0.4
98.20421	1.0
99.00764	0.3
99.04445	0.5
104.05593	0.2
109.02859	1.1
111.04429	4.1
113.02341	0.5
117.03344	0.4
119.04945	5.7
121.02888	0.5
123.04402	0.6
127.03934	2.6
129.01863	0.7
133.02892	0.6
134.03653	5.2
135.04497	1.5
137.02394	0.9
143.04964	0.8
145.02885	1.1
147.04544	0.3
149.05965	0.9
155.03499	1.5
158.03630	0.3
159.04506	0.3
160.01616	0.3
161.02409	0.6
163.03969	3.0
171.02972	0.7
173.04524	7.4
173.06010	0.5
175.03998	0.3
178.02783	0.4
186.04848	0.2
191.05582	100.0
192.05928	3.7
193.04926	2.8
194.05402	0.3
196.48639	0.2
223.07564	0.5
226.06360	0.5
229.01399	0.3
238.06352	0.3
239.07138	0.7
241.08789	0.7
249.05632	0.3
251.07108	1.4
252.07893	0.9
253.08698	0.8
254.09505	0.7
264.98862	0.3
265.05292	0.3
267.06686	0.7
267.10303	0.4
280.07404	1.0
293.04437	0.3
295.06097	0.7
295.09830	1.2
313.10663	1.3
321.03989	0.8
328.08878	0.3
337.09314	1.2
339.05167	4.9
339.08838	0.9
340.05472	0.5
357.09857	11.0
358.10202	1.0
367.10355	1.0
461.13104	0.3
487.15588	0.3
503.14221	0.3
513.09875	5.4
514.10919	0.8
531.15167	7.1
532.15497	0.9
687.19971	0.3
705.20447	24.8
706.20911	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	705.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87298	0.2
57.03338	0.5
58.91499	0.2
59.01269	1.8
60.99186	0.9
67.01787	1.9
69.03349	0.7
71.01280	1.8
71.59625	0.5
73.02831	0.5
76.07173	0.3
81.03350	0.8
83.04922	0.7
85.02847	10.7
87.00781	4.9
93.03362	16.3
94.03688	0.3
99.04416	0.5
101.02435	0.3
109.02878	1.3
111.04433	3.1
113.02326	0.3
117.03388	0.4
119.04939	2.1
121.02897	0.4
123.04433	0.4
127.03941	3.1
129.01837	0.3
133.02925	0.5
134.03682	1.8
135.04413	1.0
137.02379	0.5
143.03453	0.3
143.04962	0.6
145.02882	1.2
153.08038	0.3
155.03474	1.2
160.01624	0.7
161.02362	1.8
163.03966	2.1
171.03001	0.7
173.04523	6.8
173.05994	0.5
175.03932	0.3
179.03427	0.4
191.05591	100.0
192.05913	3.2
193.05048	1.4
221.06203	0.3
223.07669	0.4
226.06335	0.5
239.07283	0.6
241.08678	0.7
250.06288	0.3
251.07108	1.4
253.08653	0.5
254.09482	0.5
267.06708	0.7
277.04889	0.3
280.07468	0.9
293.04745	0.4
295.06100	0.8
295.09445	0.5
311.05710	0.3
313.10791	0.5
321.04120	1.1
337.09372	1.1
339.05197	6.6
339.08725	0.5
340.05441	0.6
340.41718	0.3
357.09891	4.5
367.10376	1.5
513.09961	8.7
514.10693	1.5
531.15210	3.6
532.15485	0.6
705.20526	28.8
706.20844	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	705.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82987	0.3
57.03354	0.4
60.99195	1.3
67.01768	2.1
69.03328	0.5
69.71952	1.7
71.01270	1.6
73.02850	0.4
81.03351	0.7
83.04926	0.8
85.02843	6.7
87.00768	4.3
93.03359	18.9
94.03693	0.6
99.00792	0.5
99.04428	0.3
108.02116	0.3
109.02856	1.0
111.00816	0.3
111.03745	0.4
111.04444	3.7
117.03367	0.8
119.04942	4.9
122.23568	0.3
123.04447	0.5
127.03969	1.7
129.01871	0.5
133.02856	0.6
134.03674	6.7
134.50304	0.3
135.04410	1.2
137.02373	0.7
145.02884	1.4
149.06050	1.7
155.03452	1.6
159.04478	0.4
161.02361	0.8
163.03947	4.6
171.02979	0.4
173.04507	11.1
173.06024	0.6
174.04834	0.6
175.03938	1.2
178.02705	0.7
179.03404	0.4
191.05586	100.0
192.05937	4.2
193.05020	6.6
211.07480	0.4
233.04559	4.2
239.07248	0.7
241.08762	0.5
248.99992	0.3
250.06508	0.5
251.07083	0.9
252.07855	0.5
253.08728	0.9
254.09560	1.0
262.87521	0.3
267.06699	0.9
267.10214	0.3
269.11911	0.5
277.05032	0.4
279.06482	0.4
280.07532	0.5
295.06213	1.3
295.09833	0.9
313.10928	1.9
321.04108	1.1
337.09436	3.8
338.09479	0.5
339.05179	8.5
339.08792	0.8
340.05588	1.0
357.09875	10.2
358.10162	1.0
367.10318	5.0
368.10709	0.4
487.16296	0.6
513.09906	8.7
514.10779	1.2
531.15173	11.1
532.15448	1.4
705.20520	32.2
706.20880	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	705.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44553	0.5
57.03345	0.6
59.01257	1.4
60.83555	0.4
60.99196	0.8
62.67417	0.4
67.01770	3.4
69.03333	1.2
71.01263	1.9
71.08355	0.9
81.03333	0.8
83.04909	1.4
84.13041	0.5
85.02843	10.1
87.00779	7.7
93.02769	1.2
93.03363	23.8
94.03719	0.6
99.04436	1.1
109.02859	2.0
111.04434	4.6
113.30414	0.6
113.31335	0.5
117.03374	0.9
119.04959	5.4
120.05243	0.9
121.02903	0.9
123.04447	3.1
127.03990	2.5
128.47250	0.5
129.01862	1.0
133.02916	2.6
134.03693	6.0
135.04466	2.6
137.02414	0.8
143.04961	0.8
151.03996	0.6
153.01857	0.5
155.03444	2.1
159.04523	0.9
161.02393	1.3
161.06010	0.7
163.03955	4.0
171.02921	0.6
173.04515	13.1
173.06010	0.9
177.01894	0.7
178.02608	0.6
179.03433	0.8
191.05589	100.0
192.05922	4.6
193.05031	2.3
203.03534	0.8
207.08025	0.5
224.10307	0.6
229.87015	0.6
249.05406	0.8
251.07314	2.6
253.08678	1.2
254.09557	0.7
267.06454	1.1
277.04791	0.6
279.06744	0.8
280.07394	1.1
293.04712	1.1
295.06223	1.9
295.09418	0.9
313.10825	1.7
321.04108	3.0
337.09311	4.9
339.05145	7.3
339.08813	0.8
340.05591	1.1
351.07275	1.1
357.09866	12.5
358.10275	1.3
367.10437	5.3
513.10358	12.7
514.10657	2.4
531.15277	9.9
532.15570	1.6
705.20563	19.8
706.20911	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	705.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89691	0.3
56.92313	0.3
57.03339	0.6
59.01263	1.6
60.99187	1.2
66.11945	0.3
67.01784	3.4
69.03328	0.9
71.01270	2.8
73.02817	0.6
81.03354	1.2
83.04922	0.7
85.02844	11.4
87.00776	8.9
91.01800	1.0
93.03362	26.1
94.03714	0.7
95.01328	0.5
96.95889	0.7
96.99208	2.0
99.04445	0.8
101.02342	0.4
108.02106	0.8
109.02905	2.0
111.00786	0.4
111.04430	4.8
114.69344	0.3
115.00303	1.8
115.03912	0.4
119.04961	4.0
121.02829	0.8
123.04456	2.9
127.03921	3.0
129.01884	1.2
131.04932	1.0
133.02892	1.4
134.03654	3.9
135.04457	1.0
137.02296	0.8
143.04958	5.2
145.02937	1.5
146.03683	1.2
147.04495	0.7
148.05222	0.6
149.06010	0.6
153.01852	0.5
155.03482	1.8
158.03699	1.5
159.04466	2.9
160.01627	0.6
161.02374	3.4
161.06056	0.6
163.03957	3.0
171.02904	0.8
173.04536	12.9
173.05983	1.1
174.03094	0.4
177.01921	0.6
178.02640	0.8
179.03517	0.5
187.04025	0.5
191.05588	100.0
192.05914	4.0
193.05078	2.4
226.06375	3.3
239.06847	0.3
241.08679	2.4
250.06354	0.5
251.07175	5.7
252.07922	2.3
253.08752	1.4
254.09488	1.1
263.07175	0.5
265.08813	0.7
267.10339	1.0
279.06689	1.7
280.07474	5.7
281.08020	0.4
289.05643	0.8
295.09818	6.0
313.10901	0.7
321.03995	0.4
324.06549	0.9
337.09369	2.7
339.05301	2.4
339.08395	2.3
340.05383	0.4
351.07367	0.5
357.09875	38.3
358.10211	4.4
367.10236	0.8
427.86578	0.4
439.89249	0.4
463.10901	0.6
513.09863	6.8
514.10266	0.8
531.15240	10.1
532.15594	1.5
705.20508	76.3
706.20886	16.5
733.80273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.0
59.01263	1.8
60.99186	2.2
65.01768	0.4
67.01775	3.6
69.03349	1.0
71.01271	2.3
71.57872	0.6
71.68227	0.4
73.02853	0.7
73.12132	0.4
74.01483	0.4
79.36710	0.4
81.03360	1.0
83.04902	1.0
85.02850	7.8
87.00777	8.5
88.98705	0.7
93.03362	32.4
94.03698	1.2
96.95995	0.4
99.00774	0.6
99.04407	0.6
109.02871	1.2
111.04429	5.7
113.02352	0.6
115.03934	0.7
117.03392	0.6
119.04945	6.6
121.02858	0.5
127.03954	1.8
129.01842	0.7
133.02922	0.6
134.03671	4.7
135.04451	2.7
137.02390	1.3
145.02901	1.2
148.33514	0.4
149.06017	1.2
153.01967	0.5
155.03438	2.1
161.02396	1.8
163.03935	2.4
173.04517	13.5
173.06013	0.9
175.03905	0.5
177.01923	0.5
177.89638	0.4
178.02744	0.4
179.03391	0.7
191.05588	100.0
192.05931	4.7
193.05034	1.7
226.06413	0.7
241.08691	0.9
251.07063	0.6
253.08669	1.6
254.09502	0.7
280.07379	1.1
295.06516	0.4
295.09866	0.6
311.05640	0.5
313.10953	3.3
321.04071	0.6
337.09503	0.9
339.05203	3.7
357.09882	13.9
358.10052	1.2
367.10336	1.2
513.10211	4.9
531.15192	7.5
532.15692	0.7
538.86450	0.4
679.97241	0.4
687.18048	0.4
705.20520	67.5
706.20831	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	705.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.2
59.01267	4.0
60.99180	0.9
67.01768	3.5
67.64584	0.7
69.03351	1.7
71.01276	4.2
71.62411	1.3
72.99222	0.9
73.02850	0.9
78.95809	1.1
81.03368	1.4
83.04964	0.8
85.02841	15.1
87.00779	10.6
89.02355	1.0
93.03364	30.0
94.03704	0.9
96.95900	1.7
96.96915	0.8
99.00778	1.2
101.02396	0.9
105.03377	0.9
109.02850	1.9
111.04430	5.1
113.02375	1.0
119.04951	1.9
121.02857	1.5
123.04437	0.9
127.03914	2.5
129.01892	1.5
133.02876	9.8
134.03677	2.3
135.04448	5.0
137.02371	1.1
151.03981	1.5
155.03432	1.9
157.52132	0.7
161.02400	39.5
162.02679	1.5
163.03996	1.8
173.04507	12.4
173.05968	0.7
175.00296	0.7
175.04071	1.2
175.20970	0.8
177.01900	4.8
178.02753	1.2
179.03470	5.5
191.05591	100.0
192.05939	5.0
193.05000	1.1
213.70981	0.8
215.05556	1.7
220.62830	0.6
255.10318	1.1
293.04428	1.0
294.05405	2.3
312.69684	0.7
327.12433	0.9
338.04416	0.9
339.05188	23.1
339.09036	1.7
340.05524	2.8
351.07306	7.8
353.06836	6.8
357.09900	0.8
377.08932	0.9
513.10474	93.8
514.10773	11.8
527.12024	3.0
531.15729	0.9
561.11725	0.9
705.18732	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	705.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.5
59.01272	1.1
60.99203	0.5
67.01786	1.3
69.03345	0.6
70.47637	1.0
71.01268	1.4
73.02853	0.3
81.03368	0.6
83.04910	0.6
85.02850	7.6
87.00783	3.9
91.58085	0.3
93.03367	11.4
96.99256	0.3
99.04438	0.6
105.03403	0.3
109.02877	1.0
111.04430	2.2
115.00275	0.5
119.04938	1.8
121.02874	0.5
123.04460	1.1
125.02420	0.4
127.03959	2.0
129.01898	0.4
133.02902	1.8
133.98058	0.2
134.03670	1.5
134.69249	0.3
135.04463	0.8
137.02347	0.7
139.03905	0.3
143.04976	0.8
145.02904	0.8
146.03668	0.3
149.02434	0.3
149.06030	0.4
151.04015	0.4
153.01842	0.7
155.03470	1.0
158.03741	0.4
159.04480	0.6
161.02383	4.6
163.03938	2.4
171.02979	0.8
173.04520	5.1
173.06010	0.5
177.01927	0.8
178.02657	0.6
179.03477	0.8
191.05588	100.0
192.05942	4.1
193.05051	1.0
221.68205	0.3
226.06325	1.2
232.98582	0.2
241.08777	0.5
250.06412	0.3
251.07190	1.5
252.07878	0.9
253.08652	0.3
254.09541	0.4
279.06766	0.4
280.07468	1.3
289.05270	0.3
295.06995	0.3
295.09796	1.9
337.09375	10.0
338.09787	0.8
339.05145	2.5
339.08972	0.5
340.05447	0.4
351.07336	0.6
352.07928	0.3
353.08862	0.8
357.09879	13.5
358.10211	1.3
367.10724	0.4
513.10223	5.3
514.11145	0.7
531.15179	7.9
532.15558	1.1
705.20496	15.8
706.20862	2.9
720.94385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.7
60.99154	0.5
67.01766	2.3
70.92397	1.4
71.01271	1.3
73.02821	0.8
81.03324	0.7
83.04933	0.6
85.02842	8.2
87.00766	3.9
89.15561	0.5
93.03360	12.5
103.71278	0.6
109.02859	1.5
111.04424	2.7
121.02877	0.7
127.03925	1.5
133.02876	1.6
134.03773	0.5
135.04419	1.8
155.03397	0.6
159.04466	0.7
161.02371	3.9
171.02847	0.7
173.04547	2.9
179.03482	1.4
180.47105	0.6
185.02444	0.6
191.05582	57.7
192.05952	2.6
193.06618	0.8
195.08093	1.4
211.07486	0.8
221.06114	2.1
223.07625	3.0
224.04861	0.6
226.06303	0.7
237.05521	1.5
238.06375	0.6
239.07187	2.7
241.08659	0.5
246.07686	0.5
249.05554	2.7
250.06282	1.2
251.07208	3.9
252.07700	0.6
265.05078	2.4
266.05521	0.8
267.06683	6.9
277.05020	3.1
279.03110	0.5
293.04562	2.1
294.05301	0.5
295.06204	7.4
296.06403	0.7
311.05576	2.8
321.04001	7.2
321.30322	0.5
322.04599	0.6
339.05154	55.1
340.05435	5.6
358.10709	0.5
495.09470	0.9
513.10474	100.0
514.10822	15.8
549.13239	0.6
705.20526	11.6
706.20905	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	703.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00436	29.0
57.86980	26.8
62.46511	31.8
64.33257	32.6
65.58498	38.1
71.69231	31.4
78.95807	100.0
110.89967	28.8
152.99605	38.9
199.34123	30.3
206.60985	32.6
255.23495	67.5
277.21878	47.6
441.49283	35.1
485.30862	40.9
529.57062	33.3
676.80615	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46773	5.0
59.01259	11.5
69.66690	21.2
69.67116	13.6
70.62900	5.5
78.95811	16.7
106.66166	4.6
109.06544	24.9
115.62167	4.3
163.11324	11.7
170.19112	4.7
171.10222	8.8
178.04514	4.4
207.10265	41.9
255.23410	7.9
277.21814	100.0
278.22095	12.3
415.01746	4.9
703.40527	10.0
715.14789	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	704.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	12.3
59.21064	0.1
60.01608	1.0
61.01694	0.4
61.98721	100.0
67.97884	0.1
70.41112	0.1
71.41341	0.2
78.95791	0.3
139.45952	0.1
152.99500	0.3
191.05663	0.5
207.10249	0.1
209.11960	0.2
226.64975	0.1
233.45149	0.1
255.23230	0.1
277.21652	0.7
279.23404	0.2
279.65546	0.1
439.12918	0.2
440.13205	0.2
440.99625	0.1
441.13602	0.3
454.14737	0.1
481.15543	0.2
482.15509	0.5
483.15402	1.6
484.15607	2.6
485.15601	0.2
497.16907	0.6
498.17136	0.9
499.18719	0.4
500.18674	0.3
516.15295	0.2
517.15247	0.2
542.16455	0.7
543.16742	0.8
556.19208	0.8
557.19000	2.5
558.10565	0.3
558.19232	4.5
559.19409	0.4
573.15460	0.2
574.15558	0.8
575.15973	1.4
576.16779	0.2
588.16931	0.3
589.17633	0.5
643.22614	0.9
644.23163	3.1
645.23889	0.2
703.25140	1.2
704.24982	8.8
705.24475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77094	0.3
59.01272	2.5
60.99186	1.3
61.98719	0.4
67.01780	3.7
68.97892	0.3
69.03343	1.1
69.44122	2.8
71.01278	3.0
71.04499	0.4
72.99218	0.4
73.02850	0.5
78.95806	0.5
81.03346	1.1
83.04910	1.3
85.02845	10.8
86.20224	0.4
87.00773	9.4
93.03362	27.2
94.03680	0.8
95.01284	0.4
96.95918	0.7
99.00799	0.4
99.04427	0.7
101.02317	0.6
105.03382	1.0
109.02884	2.2
111.00793	0.5
111.04437	4.8
113.02371	0.6
119.04953	1.4
121.02866	0.9
123.04439	0.4
125.02364	0.4
127.03935	2.7
127.33235	0.3
129.01936	0.8
133.02885	9.3
134.03687	1.7
135.04463	4.2
136.01604	0.4
136.04779	0.5
137.02365	1.7
148.01677	0.4
151.03963	0.9
155.03471	1.4
160.01631	0.8
161.02393	37.0
162.02774	2.0
163.03929	0.9
171.02950	0.6
172.22293	0.4
173.04518	9.5
174.04828	0.4
175.00327	0.5
176.01128	0.7
177.01878	4.8
178.02672	1.9
179.03467	4.3
191.05586	87.7
192.05934	3.3
215.05559	2.5
239.07007	0.5
239.23270	0.3
255.02615	0.4
255.10593	0.3
266.05646	0.3
293.04843	0.6
319.08746	0.5
330.10352	0.3
337.09348	0.4
339.05161	18.5
340.05475	2.0
351.07269	8.1
352.07700	1.0
353.05948	1.6
487.12216	0.4
513.10474	100.0
514.10852	13.9
527.12067	0.5
528.12201	0.3
531.14893	0.9
594.33563	0.4
705.17938	4.6
706.18982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.0
57.01863	0.7
57.03333	1.8
59.01267	18.5
61.98722	5.1
69.03362	1.0
71.01270	10.8
72.99212	1.7
73.02847	2.3
75.00790	0.8
76.95078	0.6
78.95808	1.0
80.02571	1.6
81.03352	5.7
83.01289	2.1
83.04928	7.1
84.02059	1.3
85.02840	3.9
86.05042	0.6
87.00768	2.4
87.18261	0.6
88.64808	0.6
88.98714	0.6
89.02343	7.3
93.03388	1.0
95.01329	0.7
95.04952	1.5
97.02863	7.9
97.06504	1.4
99.00778	2.6
99.04431	1.0
101.02354	7.9
101.17802	0.6
107.04958	1.6
109.02885	1.1
109.06506	22.2
110.03653	0.7
111.00832	1.1
111.04433	1.8
113.02357	6.4
119.03439	1.9
121.02885	4.1
121.06525	1.9
122.03658	2.2
123.04452	1.7
123.08104	1.6
125.02349	3.7
125.09651	1.8
127.07613	1.1
131.03465	1.0
133.02943	1.0
134.03688	0.8
135.04463	1.1
135.08102	4.2
136.01595	1.0
136.05264	0.8
137.02437	1.1
142.02669	1.8
149.02425	0.9
150.03191	0.9
151.00342	1.4
151.03954	1.4
151.07607	6.1
153.01866	2.8
153.05501	1.3
156.84235	0.6
161.02408	0.9
161.04489	2.0
161.09685	2.5
163.11243	16.2
165.07878	0.6
165.12805	2.4
166.02684	1.6
166.05029	1.1
167.03415	3.2
168.04221	4.2
171.10243	1.4
173.04614	0.8
175.11343	0.8
177.09172	0.7
179.05588	1.0
179.07083	0.8
181.05089	1.6
181.12370	4.6
183.06596	15.4
185.11777	2.5
187.06065	0.6
187.11282	1.0
189.05634	0.8
189.09259	1.3
189.12828	15.8
190.13177	1.2
191.05547	2.1
191.07141	2.9
191.10687	1.2
191.67000	0.7
195.06610	19.3
196.06923	0.9
197.11826	1.6
198.88364	0.7
203.10782	0.8
203.14381	1.3
205.08704	10.5
205.12326	0.8
206.09023	0.9
207.10265	56.7
208.10562	3.5
209.04544	4.3
209.11829	100.0
210.12151	6.2
215.07210	1.1
225.11331	25.9
226.11710	1.3
227.12909	16.5
228.13136	1.1
231.10361	2.0
235.08209	3.3
241.12595	0.7
247.13358	1.4
249.11407	1.0
253.09325	11.3
263.12784	0.8
265.14578	1.5
269.19119	3.0
283.17090	2.0
299.15076	1.4
313.18176	68.8
314.18552	8.2
329.17511	1.8
331.19229	8.9
332.19296	1.0
347.18491	0.7
355.19208	5.1
373.20190	2.6
389.11014	2.5
399.21979	5.3
400.22198	1.0
417.22891	5.5
441.26367	1.8
443.19104	3.5
445.21097	1.4
461.20377	10.0
464.80017	0.8
471.34827	0.9
472.41711	0.7
473.20337	0.8
609.29651	1.3
622.29614	1.6
635.30811	17.9
636.31348	2.7
653.31927	16.2
654.32373	2.8
671.33044	25.4
672.33252	4.7
674.31659	11.7
703.29858	25.3
704.30042	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	703.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.4
61.98730	0.2
65.00191	0.4
69.03330	0.1
69.68198	0.5
71.01261	0.1
71.04884	0.1
76.69680	0.1
78.95799	0.3
82.28021	0.1
85.02835	0.1
87.00786	0.1
87.04382	0.1
91.01820	0.1
93.03360	0.3
95.01318	0.2
97.02849	0.3
111.04428	2.6
112.04757	0.1
115.03925	0.1
117.03270	0.1
119.04919	0.1
121.02921	0.2
123.00798	0.3
123.08054	0.1
124.01575	3.5
125.02007	0.1
127.07594	0.1
133.02895	0.3
135.04443	0.4
137.02365	0.1
139.00290	0.1
139.03929	1.7
144.99634	0.1
149.99565	0.1
152.01091	20.4
152.99477	0.1
153.01430	0.7
157.03058	0.1
161.02397	0.6
161.09656	0.2
162.02733	0.1
163.03969	0.2
163.11252	0.2
165.01877	1.5
165.09151	0.1
166.02684	0.6
166.06302	0.3
173.04520	0.3
176.04718	0.9
177.01862	0.2
177.05505	0.6
179.03445	0.7
181.12202	0.1
184.00238	0.2
191.05580	0.7
191.07135	1.9
192.07368	0.1
193.05037	0.1
194.05826	16.4
195.06194	0.8
200.42542	0.1
205.08714	1.0
207.10243	0.1
209.08186	100.0
210.08521	5.8
221.08138	0.1
226.04799	0.3
251.09314	0.1
271.02271	0.1
313.17862	0.1
331.19214	10.7
332.19577	1.3
349.20386	0.7
371.13562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47351	0.1
57.03336	0.7
59.01274	0.5
61.98718	0.4
65.00204	0.5
68.59802	0.1
71.44167	0.2
76.90394	0.1
78.95805	0.1
81.03345	4.4
81.03830	0.2
82.60059	0.1
83.01271	0.8
83.04965	0.1
85.02858	0.1
85.06479	0.4
87.04407	0.4
93.03378	0.1
95.04916	0.2
96.05914	0.1
96.95905	0.1
97.02811	0.1
97.06493	0.1
107.01288	0.7
107.04959	0.1
109.06505	2.3
111.04431	3.0
122.03638	1.2
123.04448	0.3
123.08080	0.2
124.01526	0.1
125.02370	5.0
125.06005	0.2
126.02737	0.2
127.07565	0.3
127.36783	0.1
133.06583	0.2
134.03641	0.1
135.04463	0.3
137.02365	0.4
149.02361	0.5
149.05994	0.1
151.00352	1.1
151.07585	26.8
152.01115	0.1
152.07924	1.1
153.05493	0.3
161.02379	0.4
165.09146	1.4
167.03465	0.2
173.04439	0.1
177.05568	0.7
179.03400	0.1
191.05597	0.2
191.07103	2.9
191.08873	0.2
192.07396	0.2
195.06602	100.0
196.05490	0.1
196.06943	4.7
205.08681	1.9
209.08171	6.0
210.08577	0.4
219.06628	0.6
221.08200	0.4
237.07726	0.6
251.09206	0.1
331.19370	0.6
345.20770	16.8
346.21078	1.6
357.11981	5.4
358.12256	0.4
371.13470	0.4
452.98895	0.1
606.23511	0.1
703.33368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91409	0.9
57.03327	1.8
59.01252	5.0
68.99684	2.3
69.03358	4.4
70.72583	2.1
70.72963	1.4
71.01267	4.6
71.04911	1.6
73.02798	1.5
81.03357	4.7
83.01265	1.7
85.02860	2.0
87.04393	2.0
93.03326	1.2
95.01279	2.8
95.04904	2.6
97.02859	5.6
97.06487	2.4
99.00781	33.8
105.06973	2.0
107.01295	1.3
107.04964	1.8
108.02080	1.5
109.02873	1.5
109.06473	3.3
111.00801	8.4
111.04428	10.6
113.02312	2.8
121.02869	3.5
121.06479	4.0
122.03645	1.3
123.00809	8.6
123.04430	3.0
123.08070	5.6
124.01559	2.0
125.02373	8.7
125.05956	3.6
129.26614	0.9
134.03662	1.4
135.04424	1.2
135.08081	1.5
136.01695	0.9
136.98700	1.2
137.02336	2.4
137.05977	2.5
138.06322	1.0
139.00288	12.8
139.07622	1.8
140.01131	7.6
141.01871	78.2
141.05461	2.0
142.02188	2.2
147.04437	1.2
149.06035	9.1
151.03976	7.1
151.07587	21.7
152.04228	1.0
153.01836	1.5
163.00261	1.2
163.03967	1.2
165.01884	9.6
165.05533	28.4
165.98981	1.4
166.05899	1.2
166.99812	1.6
167.03442	2.6
167.07057	3.7
168.00620	8.0
169.05019	10.4
176.38132	0.9
176.76605	1.0
179.07092	1.4
181.05037	19.3
182.02180	1.1
182.05345	3.8
183.02963	2.0
183.06561	3.0
189.09135	1.7
191.07112	4.3
192.04097	1.3
193.05038	30.4
194.05418	1.3
195.02893	1.9
195.06612	61.3
196.06955	4.5
197.07216	1.1
205.08638	3.1
207.02937	1.4
207.06647	3.2
209.04556	18.4
209.06433	0.6
210.05289	31.0
211.06117	100.0
212.06400	4.5
219.06604	1.4
221.08160	1.2
223.06091	1.6
235.06105	11.2
245.56728	0.9
251.05463	1.0
253.07161	3.6
265.07248	2.1
303.07281	9.3
329.17599	19.6
341.70367	1.1
345.17252	5.6
346.18106	1.0
347.18787	6.6
355.10434	1.8
357.11838	1.5
373.11447	8.9
483.18799	6.0
484.19269	1.1
633.25641	6.7
703.29724	56.3
704.30371	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	703.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81372	0.3
53.68270	0.3
55.01740	0.3
57.03329	2.2
59.01265	26.9
61.98717	1.6
63.02283	0.4
65.00224	0.8
68.99700	0.5
69.95860	0.9
69.96278	0.8
71.01270	1.8
71.04916	3.9
73.02832	0.4
75.00751	0.7
75.85020	0.3
75.90347	0.3
78.95786	3.2
81.03375	0.7
83.01306	1.7
85.02837	0.8
89.02340	0.4
91.01792	9.4
93.03356	6.9
94.48264	0.3
95.01296	0.9
95.04904	0.4
96.95920	0.7
96.96862	0.4
97.02802	0.6
97.06528	0.3
99.00783	0.3
101.02360	0.6
107.01330	0.4
107.04939	1.8
108.02071	0.7
108.04580	0.4
109.02889	0.8
113.02370	0.8
116.75700	0.3
119.01328	3.9
121.02876	11.2
121.06524	0.6
123.04439	1.5
123.08076	14.3
123.85176	0.3
124.08405	0.5
125.02370	26.4
126.02691	0.7
127.07594	0.5
133.02859	1.5
134.03644	0.4
135.04459	1.1
136.01581	1.0
137.02350	2.4
139.03935	0.7
147.08105	0.4
149.02414	3.8
151.03952	100.0
152.04280	3.8
152.99551	2.3
155.00128	0.3
161.02415	2.2
161.04495	1.2
161.09673	1.2
163.04012	0.5
165.01923	0.5
167.03465	4.9
169.01341	0.4
171.10133	0.5
179.03424	0.9
187.07596	0.6
189.09195	1.7
191.03586	2.6
191.05608	1.2
191.07114	9.7
195.06564	1.0
197.11952	0.3
198.12067	0.3
205.08696	9.9
206.09317	0.4
207.10265	0.4
209.04553	8.2
209.11864	0.5
215.07066	0.4
219.13962	1.1
221.08171	1.4
231.06618	0.6
231.13870	0.9
233.04530	1.9
245.11922	0.7
255.23334	4.7
256.23624	0.4
257.08109	0.7
263.12903	0.7
271.02509	0.5
285.18625	1.0
299.01901	0.6
303.19720	1.3
329.17645	76.6
330.17966	6.5
331.19247	6.9
332.19516	0.7
347.18704	26.8
348.18906	2.4
371.09900	2.1
371.18747	0.8
491.22775	0.3
532.54474	0.3
578.29907	0.4
703.29926	8.2
703.44843	0.6
704.30383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92465	0.6
57.03339	1.3
59.01266	19.1
61.98708	5.4
66.77047	0.7
69.03346	1.0
71.01271	15.1
71.57484	0.7
72.99200	2.1
73.02844	2.5
75.00784	1.6
79.67461	0.7
80.02569	1.7
81.03348	5.2
83.01292	3.0
83.04924	5.3
84.02071	1.3
85.02854	5.4
87.00759	1.6
88.98721	1.0
89.02333	6.6
93.03374	1.9
95.01308	2.2
95.04930	1.2
96.95887	0.8
97.02850	11.8
99.00795	1.2
99.04412	0.8
101.02341	7.6
107.04939	1.4
109.02859	1.7
109.06496	21.0
110.06892	0.8
111.00787	1.0
111.04430	2.0
113.02365	5.9
119.03422	2.5
121.02872	1.7
121.06517	2.0
122.03648	4.3
123.04457	2.5
123.08089	1.8
125.00598	0.7
125.02312	3.6
125.09650	1.7
127.07555	2.3
135.04466	0.9
135.08086	3.4
136.01573	1.0
136.05194	1.3
137.02380	1.0
142.02669	1.1
147.08067	0.8
150.03189	1.2
151.00337	1.7
151.03967	1.6
151.07611	6.7
152.99370	0.6
153.01901	4.4
153.05565	1.8
161.04503	2.2
161.09698	2.3
163.11234	12.4
164.11554	0.9
165.05563	0.8
165.12830	1.9
166.02660	2.5
167.03444	7.0
168.04225	7.5
171.10124	1.0
173.04602	0.7
173.09688	1.2
177.09052	0.8
177.13087	0.8
179.05675	0.8
179.10588	0.7
181.05064	2.3
181.12305	3.7
183.06604	23.2
184.06853	0.8
185.11810	1.6
187.07582	0.8
187.11240	1.6
189.09247	1.6
189.11116	1.4
189.12822	22.9
190.13176	1.2
191.05553	1.9
191.07123	4.6
191.10643	0.8
193.05078	0.9
195.06612	20.7
196.07025	0.9
197.11792	2.8
203.14423	1.0
205.08696	18.6
205.12376	2.0
206.09041	1.3
207.10258	45.5
208.10580	2.2
209.04535	4.0
209.11819	83.0
210.12199	2.8
215.07094	1.4
225.11328	20.7
226.11713	1.0
227.12888	12.4
228.13113	0.8
231.10333	1.4
235.08278	2.7
235.13377	0.8
243.14018	0.7
249.11290	1.1
253.09360	9.6
269.16415	0.9
269.19070	5.2
283.17212	4.5
285.18686	0.9
293.19147	0.9
299.14960	0.7
303.58817	0.7
311.20258	1.5
313.18161	100.0
314.18536	9.3
329.17712	1.4
331.19260	11.2
337.18115	1.0
345.20789	1.3
355.19220	6.7
355.23120	1.1
356.19440	0.8
373.20099	4.1
389.11017	3.7
389.20483	1.3
399.21960	4.8
400.22293	0.7
408.07437	0.7
415.20978	1.1
417.22961	3.1
435.23978	0.7
441.26425	2.5
443.19363	2.7
452.07202	0.8
461.20474	6.9
471.34903	1.0
479.23669	0.8
485.20651	0.9
497.25681	1.6
622.29236	1.1
632.95355	0.8
635.30847	13.7
636.31183	1.6
638.44751	0.7
653.31787	11.7
654.32544	1.6
671.33112	20.1
672.33319	3.1
674.31866	6.9
703.29828	38.3
704.29919	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	703.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.6
61.98733	0.4
71.01276	1.3
71.04906	1.3
71.63073	0.5
72.99201	21.3
73.02839	0.4
74.32198	0.3
75.00775	1.3
85.02836	0.6
89.02336	0.7
91.14922	0.3
93.03356	0.8
96.95919	1.0
97.02822	0.5
101.02358	0.4
107.04949	1.0
108.01360	0.7
108.02082	8.8
109.02895	0.5
111.04459	0.4
115.32224	0.3
117.03370	1.1
119.04947	0.7
121.02856	1.4
121.06577	0.4
122.03667	2.2
122.98292	0.4
123.04441	12.4
123.08083	7.6
124.04792	0.4
124.08485	0.5
127.07640	0.4
133.02818	0.9
134.03671	29.8
135.04031	1.3
136.01601	1.4
137.02386	2.6
137.05968	0.4
139.03902	0.8
141.31908	0.3
148.05298	0.4
149.02361	0.9
149.06038	7.9
149.74593	0.3
150.03178	13.2
150.06355	0.5
151.03957	2.1
152.01189	0.5
159.04480	0.4
161.09763	0.5
163.03931	0.4
165.05528	18.2
166.05887	0.7
167.03456	0.4
167.07063	1.7
173.04494	0.6
178.02682	9.4
179.03343	0.3
189.09158	1.1
191.03897	0.3
191.05548	1.5
191.07126	4.7
192.04323	0.8
193.05042	35.4
194.05348	2.1
205.08684	5.7
206.09134	0.4
209.11827	0.5
211.06116	100.0
212.06464	4.8
221.08177	0.9
242.29802	0.4
273.47467	0.4
283.02573	0.5
329.17664	24.0
330.17963	2.1
331.19241	0.6
337.09265	0.4
347.18661	1.4
355.10403	1.6
373.11475	37.5
374.11813	2.7
483.18646	2.4
484.18860	0.4
667.39636	0.9
703.29901	46.7
704.30280	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	703.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90459	0.1
57.03333	1.1
58.24276	0.1
59.01264	0.9
60.27379	0.1
61.98714	0.6
65.00214	0.5
69.03362	0.2
69.44488	1.0
70.50366	0.1
71.01275	0.6
73.02843	0.4
73.34061	0.1
81.03352	4.2
83.01283	1.2
85.02852	0.2
85.06502	0.6
87.04398	0.4
89.02339	0.2
93.03349	0.1
95.04899	0.1
95.90660	0.1
97.02853	0.3
97.06458	0.1
101.02369	0.5
107.01321	0.6
108.02111	0.2
109.02915	0.1
109.06506	2.6
111.04430	4.0
113.02335	0.2
121.02907	0.1
121.06487	0.1
122.03665	1.5
123.04440	0.5
123.08093	0.4
124.01572	0.1
125.02369	9.2
126.02710	0.2
127.07576	0.3
133.06557	0.1
135.04430	0.2
136.05257	0.2
137.02313	0.1
137.06053	0.6
139.07582	0.1
145.82487	0.1
148.01608	0.1
149.02390	0.8
149.06006	0.1
151.00327	1.4
151.07591	27.9
152.01028	0.2
152.07950	1.1
153.05518	0.4
163.11218	0.6
165.01881	0.2
167.03442	0.9
177.01924	0.6
177.05560	0.9
179.03510	0.2
179.07111	0.2
191.03537	0.2
191.05551	0.2
191.07121	0.5
195.06609	100.0
196.06941	4.9
205.08681	0.2
207.10190	0.2
209.04602	0.2
209.11842	0.4
219.06616	1.0
225.11163	0.2
237.07733	0.7
237.09879	0.1
259.13480	0.2
261.07590	0.2
278.30405	0.1
280.67804	0.1
283.17023	0.2
293.21533	0.2
301.18280	0.6
319.19263	0.2
327.16107	0.3
331.19275	0.4
339.10809	0.2
345.17142	6.9
346.17532	0.7
347.18396	0.1
357.11984	3.8
358.12302	0.2
363.18292	1.1
379.90781	0.1
411.02292	0.1
429.19318	0.2
497.27530	0.9
498.27756	0.2
507.22437	0.8
673.31116	0.2
673.80682	0.2
685.29169	0.2
703.29865	8.4
704.30273	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	703.299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.4
59.01267	1.5
61.98705	0.2
62.51621	0.2
63.02265	0.2
65.00223	0.8
67.01761	0.3
69.33501	0.7
69.33933	0.9
70.28629	0.2
71.01267	0.5
71.04905	0.3
72.99216	0.2
73.02863	0.2
75.51225	0.1
78.95812	0.3
81.03346	5.0
83.01275	2.8
83.01723	0.3
85.02866	0.4
89.02410	0.2
93.03352	0.2
93.47820	0.2
95.01292	0.3
95.04918	0.5
96.95929	0.3
97.02864	0.4
98.20569	0.3
99.04398	0.4
101.02335	0.4
106.60301	0.2
107.01286	1.0
107.04920	0.8
109.02861	0.3
109.06503	0.3
111.04457	0.3
121.02896	0.2
121.06512	0.2
123.04443	28.6
123.08072	2.3
124.04803	0.9
125.02370	13.0
126.02724	0.5
134.88010	0.2
135.04437	0.4
136.01590	3.5
137.02376	0.2
139.03961	0.3
148.43948	0.2
149.02391	1.9
149.06036	1.9
151.00314	2.4
151.03954	4.4
151.07578	1.7
161.02403	0.2
161.09653	0.3
163.03970	0.3
163.11142	0.2
167.03453	100.0
168.03789	4.3
177.01863	0.3
178.26587	0.2
179.03458	0.3
191.03474	0.5
191.05534	0.6
191.07141	1.8
193.05038	12.2
194.05521	0.7
195.04823	0.3
195.06613	5.7
196.06969	0.3
205.08633	1.7
207.10190	0.3
209.04573	0.9
209.11801	0.9
211.06114	15.0
212.06540	0.8
225.11319	0.7
233.04579	0.2
329.08978	5.9
329.17648	20.6
330.09204	0.4
330.17978	2.2
331.19095	1.0
345.17236	0.3
347.19006	0.8
355.10568	0.4
357.12354	0.2
373.11508	3.1
374.11777	0.2
461.19962	0.2
604.71912	0.2
617.26611	0.2
638.62909	0.2
659.27130	2.6
660.27496	0.5
685.29254	0.6
703.29559	3.0
704.30591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71836	0.1
59.01244	0.7
67.01775	0.4
69.03333	0.4
70.97684	0.4
71.01273	0.5
73.02814	0.2
80.52687	0.1
81.03333	0.2
83.01271	0.1
83.04928	0.1
83.91966	0.1
85.02837	5.3
85.03365	0.3
86.03174	0.2
87.00764	1.3
93.03352	3.2
97.02850	0.2
99.00749	0.1
99.04398	0.2
109.02866	0.6
111.04411	1.1
119.04938	1.9
127.03930	1.5
137.02315	0.2
141.01878	0.1
145.02875	1.0
153.01900	0.1
155.03433	0.3
163.03954	2.6
164.04233	0.2
165.01802	0.2
171.02936	0.5
173.04486	1.4
181.31590	0.1
191.05576	100.0
192.05916	4.0
195.06622	0.2
196.07019	0.2
201.04050	0.6
209.84830	0.1
327.08701	0.3
337.09344	29.4
338.09683	3.1
456.19666	0.1
501.14023	0.5
648.20258	0.2
703.15924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16064	0.5
55.01772	0.8
57.03330	0.8
58.00489	1.5
59.01266	67.6
60.01616	0.9
61.98717	14.2
68.99687	0.5
70.70996	1.1
70.71365	1.1
71.01268	14.7
72.99181	1.2
73.02837	1.2
81.03349	0.5
83.01316	0.8
85.02835	3.7
87.00795	1.6
89.02337	12.7
95.01318	0.9
95.04933	0.5
96.95930	0.7
97.02858	3.4
99.00790	0.5
101.02350	11.4
109.06509	0.6
113.02365	5.6
118.57898	0.5
119.03413	5.1
119.04974	0.7
127.07564	1.1
133.03020	0.7
147.08101	0.8
161.02473	1.0
161.09772	0.8
163.03995	0.7
163.11241	17.3
164.11525	1.0
173.04393	0.5
189.12817	6.1
191.05649	1.1
191.07149	1.5
193.05043	0.8
205.08673	4.4
207.10262	10.9
227.08423	0.5
238.72490	0.5
269.19177	0.9
283.17218	0.8
313.18143	16.6
314.18436	1.9
331.19278	4.1
332.19598	0.8
343.18481	0.6
369.15579	2.9
387.16696	100.0
388.17078	8.0
439.51846	0.5
449.63739	0.6
604.20929	0.6
701.35583	61.0
702.36023	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	701.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.6
57.03321	2.5
58.00497	1.0
59.01266	22.6
61.98712	2.3
64.41849	0.8
68.27532	0.8
69.03328	1.6
70.89457	1.2
70.89768	1.0
71.01269	34.1
72.01610	0.8
72.99187	2.4
73.02834	9.3
78.95791	1.1
81.03352	1.0
81.16479	0.8
83.01280	6.8
85.02843	16.1
87.00784	4.2
89.02339	10.5
93.03342	0.7
95.01263	2.5
96.95940	4.1
97.02856	18.7
97.54311	0.8
99.00788	4.9
101.01701	1.6
101.02346	28.3
106.50320	0.7
111.00774	1.6
113.02359	12.0
119.03440	3.9
119.04916	0.7
120.99580	1.6
125.02354	2.8
127.03879	1.0
131.03426	0.8
133.02872	1.5
135.04469	1.3
137.02341	0.9
139.03854	0.8
141.01872	0.8
143.03429	2.3
146.33344	0.8
149.02399	0.8
151.00322	1.7
151.98676	0.8
159.02988	1.4
161.02391	3.5
161.04475	6.2
163.04012	1.0
165.05501	0.8
173.04431	0.9
178.02654	0.9
179.03409	4.1
179.05540	2.6
191.05545	3.1
191.07097	1.0
194.05821	4.2
209.08223	8.6
209.11642	1.4
210.04066	1.9
221.06578	1.3
329.17743	4.4
435.27551	0.8
437.20355	1.8
479.26596	14.9
480.26923	1.8
535.23602	1.0
562.17566	0.8
612.47717	0.9
641.31958	100.0
642.32269	21.3
701.32434	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.5
61.98706	0.4
65.00199	0.4
71.01256	0.2
71.04915	0.4
71.57498	0.1
78.95792	0.1
83.04946	0.1
90.15749	0.1
93.03337	0.2
95.01281	0.3
96.95907	0.9
97.02852	0.4
111.04431	3.0
112.04819	0.1
117.03367	0.1
121.02924	0.2
121.06493	0.1
123.00817	0.4
123.08082	3.1
124.01580	3.1
124.08385	0.1
133.02902	0.1
139.00275	0.2
139.03937	1.3
149.99557	0.1
152.01091	20.1
153.01457	0.6
161.02390	0.5
161.09653	0.2
163.04088	0.1
165.01877	1.5
166.02658	0.6
166.06267	0.2
173.04532	0.1
175.03978	0.1
176.04724	1.1
177.05544	0.5
179.03464	0.7
184.00182	0.1
189.09198	0.1
191.05568	0.5
191.07091	2.8
192.07478	0.1
193.04802	0.1
194.05821	16.9
195.06143	0.7
205.08691	2.1
209.08185	100.0
210.08510	5.2
211.13370	0.4
219.14140	0.1
221.08165	0.2
226.04849	0.3
245.11879	0.1
271.02380	0.1
285.18558	0.1
299.01971	0.2
329.17648	15.7
330.18021	1.3
347.18735	1.5
348.19235	0.2
387.16724	0.5
701.36017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16945	0.1
59.01268	0.4
61.98722	0.1
70.72878	0.3
70.73242	0.2
71.01270	0.9
71.04907	2.4
73.02852	0.2
77.03860	0.2
78.95741	0.1
81.03373	0.2
83.01276	0.2
85.02827	0.7
93.03359	0.5
95.04928	0.6
96.95895	0.1
97.02862	0.4
98.38638	0.2
99.00780	0.1
101.02346	0.5
105.03364	2.6
106.51888	0.1
107.04961	0.3
109.02836	0.2
110.05904	0.1
111.04490	0.1
113.02384	0.6
116.92835	0.1
117.01957	0.1
117.03379	0.3
119.04942	0.3
121.02878	0.2
121.06473	0.2
123.04449	0.3
123.08077	5.6
124.08353	0.2
127.07605	0.2
129.86339	0.1
133.02882	1.3
133.10121	0.4
135.04443	0.2
141.83578	0.1
145.02884	0.5
145.10167	0.2
147.04445	0.2
147.08144	0.2
150.03101	0.2
151.03946	7.9
152.04349	0.3
153.01840	0.1
156.46439	0.1
161.02391	31.8
161.04567	0.9
161.09711	0.4
162.02730	1.2
163.03912	0.1
163.11319	0.2
165.05560	0.3
175.03954	0.1
175.07510	0.2
176.04752	17.9
177.05130	1.0
177.09172	0.1
177.12836	0.2
179.03464	51.8
180.03796	2.4
189.09167	2.0
190.09346	0.1
191.05656	0.5
191.07109	10.2
192.07416	0.6
193.04996	0.3
194.05823	48.0
195.02884	0.1
195.06189	2.2
201.12808	0.3
205.08690	3.6
206.09103	0.1
209.08189	100.0
210.08521	5.2
217.15816	0.2
219.13840	0.4
221.08194	0.4
231.13846	0.3
245.11861	1.1
246.41187	0.1
257.19083	0.2
263.12872	0.7
273.14923	0.3
275.13028	0.4
285.18607	1.7
286.18890	0.1
287.12964	0.2
303.19843	0.7
311.16809	0.2
316.05771	0.1
329.17648	31.6
330.17960	3.1
347.18710	15.5
348.19046	1.2
364.73834	0.1
371.18729	1.2
389.19876	0.6
390.20114	0.2
401.19977	0.2
413.19742	0.2
431.21225	0.2
473.21863	0.3
491.22922	0.5
701.33527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26192	0.2
59.01267	14.5
61.98713	0.9
69.03342	0.3
71.01280	0.6
71.04907	2.2
71.57225	0.3
72.99193	0.3
78.83555	0.2
78.95803	0.8
81.03354	0.3
85.02848	0.3
87.00773	0.2
89.02346	0.3
93.03353	0.5
95.17680	0.2
96.95907	0.6
97.02829	1.3
107.04939	25.3
108.01994	0.2
108.05266	0.7
109.02890	0.4
113.02353	0.5
121.06498	0.4
122.27251	0.2
123.04502	0.3
123.08081	9.3
125.02374	0.4
133.02872	1.0
135.04547	0.5
140.43602	0.3
148.05223	0.4
149.06024	100.0
150.06372	4.3
151.07581	0.5
152.00945	0.3
152.99519	0.5
158.68777	0.2
160.01463	0.3
161.02438	1.2
161.04469	0.3
161.09660	0.6
175.04037	0.2
179.03456	0.6
179.38222	0.3
181.04913	0.4
189.09196	0.6
191.05582	1.0
191.07104	6.2
192.07481	0.4
195.06577	1.5
205.06737	0.3
205.08673	5.6
206.09027	0.5
207.06563	0.6
209.08138	0.4
219.13889	0.3
221.08125	0.7
223.09966	0.3
245.11951	0.4
255.23416	1.1
285.18646	0.9
295.22980	0.3
299.02094	0.4
303.19720	0.5
329.17654	47.4
330.17960	4.4
330.21552	0.4
347.18719	8.9
348.19092	1.2
443.23264	0.3
490.10773	0.5
627.90271	0.3
657.82452	0.3
701.32397	0.6
709.41138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.4
59.01253	2.2
61.94384	0.6
61.98704	2.2
67.01773	1.6
69.03363	0.7
69.83496	3.2
69.83914	1.3
71.01263	3.1
73.02819	0.8
77.03854	1.3
78.95794	3.8
79.20573	0.7
81.03352	2.0
83.04915	2.1
85.02840	1.1
87.00789	1.5
89.03842	0.9
93.03353	16.7
95.04910	5.4
98.19884	1.3
99.04434	1.8
103.10520	0.6
105.03370	13.8
105.04018	1.4
106.03652	0.8
107.72994	0.7
109.02846	2.0
110.61106	0.7
111.00774	0.8
111.04420	7.5
115.03953	0.9
117.03369	8.1
119.04945	48.3
120.05308	1.8
121.02891	1.0
123.04417	2.1
124.01575	2.3
127.03906	1.1
133.02881	100.0
134.03246	3.3
135.04446	2.6
137.02365	8.3
145.02887	36.7
146.03242	1.8
151.03900	1.3
152.99561	1.8
155.03438	10.3
156.03867	0.8
161.02409	1.0
161.06020	0.8
163.03957	58.1
164.04321	2.6
173.04512	79.5
174.04866	3.1
177.01892	29.8
178.02193	1.6
179.03461	1.1
191.05617	3.5
200.49733	0.8
298.32590	0.8
309.22299	1.4
319.08276	84.6
320.08670	7.9
335.22302	0.8
337.21884	3.3
351.07251	4.4
381.20786	37.9
382.20996	5.0
429.22934	2.9
497.10641	1.3
555.26099	37.5
556.26453	5.9
701.29810	1.9
702.30988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.2
59.01242	2.8
62.50063	1.2
62.82286	1.2
65.00204	1.8
65.11550	1.4
71.57378	1.8
71.57743	2.1
74.57418	1.1
78.95817	1.3
81.03347	4.1
83.01271	3.6
93.03341	2.6
97.02854	2.8
99.04442	3.1
101.02341	2.8
109.02853	2.2
109.06503	5.6
111.00799	13.5
111.04433	9.8
116.03178	1.3
122.03644	2.5
122.61452	1.4
123.04417	4.4
123.08064	3.9
124.01536	1.8
125.02353	20.4
135.04430	2.3
136.98782	1.7
137.06041	12.4
139.00299	18.3
141.01875	1.9
141.05476	1.7
149.05963	2.1
151.00255	2.5
151.07578	21.5
153.01852	3.0
161.02367	2.1
163.00313	6.0
163.03990	2.7
165.01868	3.7
165.05554	9.7
178.99855	1.7
181.05028	91.3
182.05367	3.0
191.03453	9.6
191.05528	4.3
191.07158	1.5
193.01462	3.0
193.04994	1.4
194.56380	1.4
195.06610	100.0
196.06964	4.4
205.05034	3.4
207.02872	1.9
209.04549	98.3
210.04977	6.5
211.06015	2.2
219.06587	2.7
223.06139	1.6
233.04485	6.3
237.07741	2.5
251.05673	3.2
299.16537	3.4
323.06070	1.6
329.17755	6.9
343.15549	2.2
347.18521	1.8
357.11942	3.9
371.09857	7.3
372.10419	1.5
446.10010	1.5
481.17236	14.1
482.17120	1.7
578.20117	3.6
683.27295	1.8
701.28278	79.8
702.28583	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	701.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
59.36123	0.4
69.88393	1.3
69.88828	1.2
73.13012	0.4
77.88242	0.4
78.95792	0.8
102.22533	0.4
105.54313	0.4
156.24547	0.4
255.23303	0.9
270.74246	0.4
437.12756	1.1
438.13461	4.1
439.13889	1.1
445.18442	0.5
451.14532	0.9
452.14938	1.6
453.15350	0.7
455.10355	0.7
467.13477	0.8
480.14474	1.0
481.15305	30.4
482.15616	8.5
494.16010	0.5
495.16956	11.6
496.17380	2.9
497.18704	5.0
498.18600	1.3
514.15057	2.9
515.15802	0.5
523.16595	1.1
525.14398	1.2
539.15863	1.9
540.16693	8.2
541.17010	1.6
553.17273	1.0
554.18634	3.0
555.19006	53.8
556.19263	11.8
567.19226	1.1
572.15692	16.6
573.15894	3.6
586.17078	6.2
587.17291	1.8
609.19904	1.2
627.21368	1.0
628.21832	0.6
641.22729	27.0
642.22821	6.8
701.24872	70.0
702.25085	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	701.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
57.03339	0.5
57.42906	0.3
59.01266	100.0
59.29531	0.4
60.01603	0.6
64.63402	0.4
66.05222	0.4
69.45311	3.1
69.45733	0.9
71.01269	8.9
72.99191	0.4
73.02827	3.0
78.58144	0.5
81.28403	0.4
83.01282	1.5
85.02839	4.6
85.40226	0.4
87.00758	0.6
87.65238	0.4
87.88216	0.5
88.98780	0.5
89.02357	1.1
93.03390	0.5
95.01267	0.7
96.95939	0.6
98.20530	0.9
99.00798	1.7
101.02356	7.0
113.02351	4.0
114.51626	0.5
125.02365	0.7
134.06030	0.4
135.04475	0.9
143.03424	0.6
151.00337	1.5
151.52376	0.4
159.02898	0.6
161.02399	1.0
161.04539	4.2
173.04462	0.6
178.99844	0.7
179.03462	1.0
183.10217	3.9
191.05569	3.5
191.98721	0.4
192.04311	0.7
192.06447	0.4
192.99664	1.6
194.05927	0.7
207.01343	0.6
207.06685	1.3
208.02023	1.9
209.08202	0.5
223.04366	5.2
241.05446	1.2
263.03641	1.4
269.10355	13.4
269.13129	0.9
311.11478	8.1
311.14935	0.6
312.12177	0.5
329.07126	1.6
335.02032	3.2
355.10379	0.6
403.10904	1.7
487.18015	0.5
491.12341	2.7
519.19794	0.7
661.35065	0.5
701.14429	1.7
701.26550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01267	77.6
60.01606	0.7
61.98713	0.6
71.01279	2.4
71.56584	0.4
73.02863	0.6
78.95808	1.1
80.96430	0.5
81.03362	0.6
85.02852	1.3
88.40855	0.4
88.98702	0.3
89.87485	0.3
93.03371	0.7
96.95930	1.5
97.02895	0.5
98.95570	0.4
101.02368	1.3
109.02915	0.5
113.02370	0.8
119.04922	0.4
121.06528	0.7
122.03656	1.4
124.01576	0.7
133.02869	1.1
133.06593	0.4
135.04442	0.9
137.02419	0.5
145.02873	1.1
148.05247	21.1
149.05583	1.0
152.99605	0.4
159.08176	0.4
161.02374	1.1
161.04485	3.0
163.07603	12.5
164.07889	1.0
171.10187	0.7
179.03458	1.1
187.11186	0.7
189.05562	0.5
189.12831	16.5
190.13126	0.9
191.05577	0.8
191.07140	4.4
205.08687	11.7
206.09082	0.9
207.10300	0.6
243.13959	0.7
269.19073	2.3
286.90729	0.4
295.17389	0.5
313.18176	100.0
314.18527	11.8
331.19229	7.9
332.19461	1.0
386.34933	0.4
579.26654	0.4
583.04572	0.5
700.39856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	5.0
59.00990	2.0
59.01265	23.7
61.98707	5.4
67.39313	1.1
68.99702	2.1
69.03345	1.7
71.01270	30.7
71.59966	1.6
72.99191	6.6
73.02814	2.1
75.00763	19.4
78.95765	1.6
83.01287	1.3
83.04928	1.3
85.02847	29.3
86.03152	1.3
87.00771	12.6
88.98718	1.7
89.02343	9.2
91.03904	1.2
93.03356	2.4
95.01279	7.0
99.00785	10.5
99.04431	1.8
101.02320	1.3
103.00274	2.6
109.11140	1.3
111.00738	1.4
113.02368	40.6
114.84521	1.2
115.00252	2.8
117.01823	3.5
119.05006	1.8
129.01859	3.2
131.03368	1.9
133.02899	2.2
134.03633	1.3
139.00301	2.6
149.04488	1.7
159.04425	1.4
161.04582	1.2
161.13280	3.5
163.03984	1.8
171.10199	3.6
173.04500	1.6
175.02487	4.2
179.03461	2.3
183.13887	13.4
184.40182	1.1
187.07687	1.5
191.05574	3.9
191.07166	1.2
195.13904	12.6
197.11823	1.5
207.06689	1.6
213.14963	77.1
214.15369	3.9
235.13515	1.7
249.06219	20.3
253.14644	1.1
255.03032	3.8
267.07266	76.7
268.07599	3.9
283.02515	10.6
291.81198	1.6
309.20813	1.7
313.18134	1.5
485.20541	18.3
486.20718	4.0
699.36151	100.0
700.36493	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43574	1.5
54.96665	1.6
59.01268	57.6
59.84185	1.6
60.01587	1.9
62.18596	1.4
69.53271	4.5
69.53699	8.3
71.01273	62.2
71.01667	3.6
72.99184	4.4
73.02844	7.6
78.95795	1.9
79.55259	1.5
83.01271	3.7
85.02855	9.1
87.00777	4.8
89.02340	78.5
95.01305	3.5
96.96839	2.0
97.02879	1.8
101.02350	57.3
101.03016	3.3
102.02676	1.6
111.00786	2.0
113.02360	33.0
119.03392	10.4
125.02359	5.9
129.01828	2.9
131.03462	4.1
135.04463	1.6
138.20898	1.8
143.03419	7.8
149.04498	2.1
151.20139	1.6
161.04527	19.2
179.05576	80.5
180.05942	2.2
191.05542	5.7
203.05582	1.9
208.12874	1.7
233.06679	1.9
323.09888	6.3
341.10913	21.8
403.53745	1.7
404.92737	1.8
485.15308	14.2
486.15607	2.1
503.15994	2.6
521.12897	2.8
545.17468	2.4
605.57678	2.0
665.21625	100.0
666.22113	10.7
701.19159	29.5
702.19189	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	699.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02423	0.1
59.01268	0.6
61.29031	0.1
62.96034	0.1
62.96306	0.3
71.01278	0.2
73.02830	0.1
78.95795	61.9
83.28207	0.1
85.02840	0.1
87.00832	0.1
89.02344	0.2
93.03355	0.2
95.96075	0.1
96.96867	51.2
99.00705	0.1
101.02342	0.2
113.02360	0.1
114.57905	0.1
119.04927	0.2
134.03673	0.1
135.04546	0.1
160.16129	0.1
163.03937	0.2
173.04440	0.1
191.05620	0.7
233.09511	100.0
234.09842	5.8
234.13322	0.1
283.26563	0.1
327.08844	0.1
453.23868	0.1
461.03073	0.1
465.23157	0.4
551.53815	0.1
672.94904	0.1
699.33533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97497	0.5
59.01257	1.3
61.57112	0.4
61.98726	3.9
65.00199	0.5
71.01260	1.1
78.95795	0.6
81.03382	0.6
87.00783	0.6
93.03360	2.4
94.52315	0.4
96.95923	0.7
97.06500	0.5
103.35094	0.5
109.02835	0.6
113.02407	0.4
116.92739	0.5
121.02863	3.2
122.03645	1.2
123.04396	0.4
133.02888	0.6
134.03688	0.9
135.04460	4.5
135.08032	0.5
136.01591	0.5
137.02388	1.0
149.02380	23.4
150.02733	0.7
151.03951	0.7
151.07597	0.4
152.01089	9.6
155.77643	0.4
161.02374	0.7
161.09619	0.4
163.03957	6.7
164.04747	16.9
165.01849	2.1
165.05101	0.6
167.03467	3.8
169.05060	3.9
171.10141	0.6
173.04482	0.5
175.04031	0.5
179.03470	0.8
179.07106	6.6
187.07631	1.0
187.11278	0.5
189.12825	10.5
190.13182	0.6
191.05547	1.9
191.07143	2.7
193.01392	21.4
193.05046	0.6
194.01715	1.1
195.02982	0.4
205.05244	0.5
205.08713	7.2
206.09074	0.5
207.06549	0.7
207.10252	0.8
208.03764	42.8
209.04065	1.7
209.11874	0.4
215.07196	0.6
223.06123	100.0
224.06462	5.3
242.05998	0.6
257.08151	2.4
265.07181	0.7
269.19199	1.5
283.02548	0.5
313.18164	49.8
314.18472	6.1
542.20886	0.5
575.13525	0.5
605.32928	0.4
700.29810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10419	0.5
57.03339	1.3
59.01266	6.8
61.98712	5.9
69.03334	1.2
69.29248	1.1
69.29655	5.0
71.01272	9.1
72.99207	0.6
73.02837	3.8
75.00790	0.6
75.90350	0.4
78.95817	0.7
81.03356	0.5
83.01277	1.0
83.04938	1.4
85.02846	2.9
87.00771	1.8
88.98696	0.8
89.02337	5.6
93.03352	4.4
96.95918	3.1
97.06478	0.6
99.00778	0.6
101.02340	6.7
107.04881	0.6
108.02065	0.6
109.02843	0.5
111.04427	1.1
111.08101	1.3
113.02364	2.1
117.03393	2.1
119.03423	1.7
119.04928	3.2
121.02842	0.6
125.02354	0.9
132.02100	3.6
133.02881	2.2
133.05045	1.1
134.03671	99.1
135.04100	4.3
136.01588	2.0
137.02402	3.0
139.07533	0.6
145.02890	1.0
147.04454	0.6
149.06030	20.1
150.06430	0.6
151.04037	2.3
151.06030	5.7
152.01102	0.9
160.01611	31.1
160.29747	0.5
161.02428	3.1
163.03995	1.9
165.12799	9.1
166.13098	0.8
173.04538	3.4
174.01880	0.5
175.03966	35.8
176.04340	1.9
177.01883	0.9
178.02666	4.9
179.03430	2.4
179.05585	0.7
183.13882	11.2
183.15376	0.9
189.12756	0.8
191.05583	7.6
191.07143	0.8
192.06023	0.7
193.05038	100.0
194.05400	5.7
195.06702	2.7
203.14377	0.7
207.13966	1.3
209.11774	1.4
221.15483	1.7
223.13402	0.8
226.06482	0.5
227.12901	16.4
228.13255	0.9
231.13846	1.0
233.11821	2.7
249.15034	2.2
251.12946	6.2
263.12912	0.8
265.14493	3.3
269.13986	2.9
275.12888	5.2
275.15033	0.4
276.13190	0.5
281.13931	0.9
283.02652	0.8
293.14023	29.4
294.14404	2.3
302.08823	0.5
311.15054	1.8
323.15262	0.9
327.10947	77.0
328.11298	6.3
337.09482	0.7
353.16165	1.2
357.13007	1.2
371.17200	31.0
372.17584	4.6
534.23901	0.6
542.20441	0.7
565.23108	1.3
574.69666	0.5
699.28906	8.1
699.39618	1.2
700.28809	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	697.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23822	0.2
52.13019	0.2
54.61741	0.2
55.01758	0.3
59.01265	4.6
61.98705	0.5
65.06854	0.2
65.66246	0.2
69.91995	1.1
71.01268	2.4
73.02840	0.6
78.95782	0.3
83.01273	0.5
85.02838	1.2
89.02357	0.5
89.03866	0.9
93.03360	0.2
96.95896	0.4
97.02844	0.4
101.02351	1.0
105.03370	0.3
107.01311	0.3
109.02890	0.2
113.02338	0.7
115.47645	0.2
117.03378	3.6
119.04919	0.3
123.04480	0.4
124.01554	0.4
132.02097	27.0
133.02945	2.2
134.03662	57.8
135.03969	1.7
137.02368	0.7
146.03651	0.3
147.04485	0.6
148.05255	0.4
149.06023	6.5
150.03186	0.3
150.06424	0.3
151.00305	1.2
152.01064	1.1
158.03677	4.5
160.01604	100.0
161.01938	4.8
161.04401	0.2
173.06044	4.0
174.03218	0.5
175.03958	88.3
176.04312	4.2
177.01907	0.6
178.02669	0.8
178.99788	0.7
179.03445	0.3
191.05585	0.5
191.07120	1.1
193.05029	79.6
194.05357	3.6
201.01918	3.7
202.02692	4.6
203.03090	0.3
212.18890	0.3
217.05045	11.6
218.05435	0.6
235.06070	1.6
266.58118	0.3
287.56427	0.2
290.61569	0.3
313.01630	0.2
315.19760	0.2
317.21280	1.7
329.17627	0.3
347.18567	0.4
371.22354	0.3
390.19751	0.3
418.15765	0.3
441.40216	0.2
479.26715	0.8
493.46634	0.3
535.23303	0.6
547.26038	0.3
637.30267	0.8
655.31360	0.2
697.32410	63.5
698.32739	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	699.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63548	0.3
54.61791	0.3
59.01266	3.4
59.36784	0.3
60.99192	18.4
61.98706	0.9
67.75246	0.3
71.01265	2.0
71.51347	0.4
71.75697	0.3
72.99192	0.4
73.02846	0.5
78.95764	0.6
85.02836	1.0
88.98698	100.0
89.02326	2.3
89.99038	1.1
93.03333	0.4
95.44688	0.3
96.95903	0.6
99.00781	0.5
101.02343	1.2
111.42967	0.3
113.02347	1.0
113.04353	0.4
117.03396	0.5
119.03443	0.4
121.02869	0.6
131.03343	0.4
132.02058	0.4
133.02882	10.1
134.03419	0.5
135.04454	10.9
136.04800	0.7
137.02356	0.4
137.75859	0.3
139.86670	0.4
145.69693	0.3
161.02388	34.7
162.02744	2.4
167.76808	0.4
179.03467	7.1
180.03862	0.4
191.05611	1.4
229.89705	0.3
233.11702	0.4
255.23293	0.3
263.21219	0.4
299.01468	0.4
313.03647	0.4
333.20892	0.5
406.83401	0.3
609.25635	35.3
610.26135	5.6
632.46698	0.4
652.04156	0.4
699.28687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.0
62.96291	0.2
70.03655	0.6
71.01279	0.6
73.02867	0.2
78.95796	63.0
80.91573	0.2
85.02869	0.3
89.02333	0.2
93.03379	0.4
96.96867	47.9
98.19813	0.2
101.02341	0.2
102.98502	0.1
105.46624	0.2
116.92803	0.2
134.03664	0.5
135.04417	0.2
155.03535	0.2
160.01595	0.6
173.04562	0.4
175.03951	1.0
179.03329	0.2
191.05615	1.2
193.05011	0.3
201.23837	0.1
209.23376	0.2
220.74303	0.1
233.09506	100.0
234.09830	5.7
283.09677	0.2
463.12662	0.8
463.21515	0.4
697.32996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.2
59.54134	0.2
71.01260	0.4
78.95795	67.7
85.02840	0.3
93.03363	0.5
95.96075	0.2
96.96865	53.9
98.20573	0.4
135.04480	0.5
145.49222	0.2
151.00293	0.6
161.02357	0.4
179.03534	0.3
191.05576	2.3
195.28830	0.2
207.04292	0.3
227.03516	0.9
233.09497	100.0
234.09825	5.3
249.09081	0.4
255.02972	1.6
265.08502	0.5
271.02625	1.5
276.64194	0.2
284.03247	1.1
285.03864	0.5
300.02716	2.7
301.03491	1.4
370.72375	0.2
386.31314	0.2
447.09479	2.9
448.09167	0.3
463.08801	3.7
463.21970	0.3
464.09003	0.5
491.83133	0.2
496.39932	0.3
587.97131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
59.72631	0.2
60.01601	1.3
60.91487	0.2
61.98728	0.6
66.63877	0.2
68.33601	0.2
69.57548	1.4
71.01270	0.4
71.72699	0.2
76.79807	0.2
85.02863	0.2
92.19801	0.2
93.03355	0.4
95.85605	0.2
98.20509	0.3
99.00805	0.1
101.02342	0.3
101.06001	0.5
113.02374	0.2
117.85569	0.1
121.02893	1.7
122.03284	0.2
124.02476	0.1
133.02930	0.2
135.04543	0.2
147.10831	0.2
171.10210	0.2
191.03552	1.0
191.05632	0.5
209.04601	1.5
209.11862	0.2
230.41077	0.2
256.00571	0.2
383.13962	0.2
527.40723	0.2
593.12946	1.2
600.25403	0.2
668.78369	0.2
697.33289	0.5
719.15320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01280	1.8
61.98717	2.0
65.00222	0.7
69.20921	0.4
71.01286	0.7
71.57568	0.5
71.57935	0.6
72.97400	0.5
83.01261	0.7
93.03356	0.6
107.01307	1.7
109.02887	1.0
124.01611	1.2
125.02342	1.0
133.02893	1.4
135.04430	1.2
151.00308	5.0
152.01054	1.5
161.02399	1.7
164.01173	0.5
169.01407	0.6
171.10280	0.6
173.04518	0.7
178.99838	2.3
191.05524	2.1
192.00623	0.8
193.01447	0.9
199.03967	1.1
201.05263	0.5
203.03526	0.9
205.01372	0.5
213.46036	0.5
214.02704	0.8
215.03488	1.4
217.01555	0.5
221.00995	0.7
227.03514	1.4
241.01476	1.0
242.02234	2.7
243.03021	3.6
245.00966	1.9
255.03061	1.0
259.02444	0.7
270.01749	5.1
271.02542	32.9
272.02823	2.4
283.02557	0.6
287.01981	1.9
293.21677	0.5
298.01285	4.8
299.02036	95.4
300.02679	14.7
301.03461	1.8
302.04318	0.5
315.01614	4.1
316.01801	0.7
330.03879	11.8
331.04575	3.5
332.04599	0.5
447.21832	2.1
448.21786	0.6
461.07288	3.4
462.08179	2.5
463.08792	2.6
488.09311	0.5
493.09973	4.9
503.20792	1.1
517.09979	0.5
535.23785	0.6
591.41724	0.6
637.25116	0.6
697.28802	100.0
698.29065	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	697.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.4
62.92245	0.2
68.78345	0.2
69.03345	0.3
71.01275	0.8
71.17217	0.5
73.02861	0.4
77.03852	0.2
79.05445	0.2
81.03342	0.2
85.02839	0.3
89.03872	0.7
92.26923	0.2
93.03357	0.8
95.04937	0.4
96.95905	0.6
97.02844	1.2
101.02340	0.3
104.02584	0.3
105.03387	0.8
106.04123	0.3
107.04953	2.1
108.02085	1.5
108.02699	0.2
109.02869	0.8
113.02357	0.2
115.01820	0.3
115.03929	0.3
117.03357	1.1
121.02895	0.3
123.04456	0.4
125.02363	2.1
125.09533	0.2
132.02084	2.1
133.02888	37.7
134.03708	9.9
135.04453	74.1
136.04778	3.0
137.02391	1.4
139.03967	0.4
147.04478	0.3
149.02386	0.2
150.03183	0.4
151.03992	0.3
152.01109	2.6
159.04469	0.5
160.01649	0.5
161.02394	100.0
162.02733	4.7
173.04601	0.4
173.06009	0.3
175.03957	0.7
177.01825	0.4
177.05551	0.5
178.02740	0.4
179.03465	38.4
180.03812	1.6
189.05568	0.3
191.05585	1.5
193.05106	0.5
193.06827	0.2
195.06604	0.8
198.90692	0.2
199.45271	0.2
203.03496	0.7
219.06419	0.2
221.80455	0.2
232.62299	0.2
271.02512	0.4
299.02075	0.4
313.03610	0.7
314.04053	0.3
323.07767	0.2
332.06839	0.2
357.12051	0.2
365.08841	4.9
366.09326	0.2
449.11197	0.4
473.11017	1.7
491.12085	39.9
492.12415	4.8
504.40347	0.2
527.12238	1.1
611.14185	2.8
612.14575	0.2
653.15277	33.9
654.15649	5.9
679.12451	0.3
697.25629	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	695.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02366	0.3
59.01265	100.0
60.01603	1.1
61.70193	0.3
65.27821	0.3
70.98898	0.8
78.95798	8.9
97.78654	0.2
131.70395	0.2
148.66745	0.2
149.00070	0.7
149.73068	0.3
152.99503	0.6
164.19145	0.3
205.16003	0.8
247.13649	0.3
267.79773	0.3
279.23404	0.4
285.12387	0.3
391.23563	0.3
427.19104	0.7
447.13782	0.3
653.30682	0.7
695.31335	39.8
696.31647	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	695.4675
Annotation	PA(18:2(9Z,12Z)/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01251	4.3
61.76707	1.8
61.98705	3.3
71.59522	2.5
78.95795	64.5
96.95911	2.0
96.96877	7.5
111.68912	1.9
152.99519	51.3
176.16373	2.0
201.29034	1.8
201.82700	2.0
217.00391	2.2
277.21771	4.8
279.23355	100.0
280.23837	11.0
281.24936	3.9
359.15396	2.2
415.22659	42.8
416.22537	4.0
433.23822	13.7
604.83160	2.1
695.46417	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.9
59.69368	0.1
67.01772	0.3
67.44213	0.1
70.87212	0.3
71.01270	0.7
73.02840	0.2
78.95789	0.2
79.73455	0.1
81.03351	0.3
85.02843	5.6
87.00781	1.4
88.04095	0.1
93.03358	2.7
96.96879	0.2
99.04442	0.4
101.02320	0.2
109.02879	0.5
111.00774	0.4
111.04405	0.9
113.02352	0.2
117.01894	0.2
127.03932	1.5
133.02872	0.6
135.04439	1.8
155.03510	0.2
161.02399	1.6
171.02928	0.4
173.04506	1.4
175.44675	0.2
179.03490	1.2
180.03891	0.2
191.05585	100.0
192.05922	3.5
249.91072	0.2
353.08835	17.5
354.09143	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	695.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.4
61.98733	0.1
71.01250	0.1
71.58389	0.1
71.98531	0.1
78.95790	0.2
79.95628	2.2
85.02866	0.1
96.20023	0.1
96.95914	100.0
97.93028	0.1
97.95850	0.4
101.02351	0.1
113.92557	0.1
114.93277	0.1
116.92773	0.2
125.85315	0.1
163.27925	0.1
191.05569	0.3
191.07155	0.3
205.08669	0.2
313.18320	0.1
315.13345	0.1
331.19177	1.8
332.19608	0.3
349.20325	1.0
373.20197	0.2
561.93585	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	695.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.1
59.01260	0.8
61.98706	0.2
67.20746	0.1
71.01260	0.2
78.95802	0.2
79.95172	0.2
79.95627	2.5
83.01279	0.1
85.02840	0.1
87.00762	0.1
89.02330	0.1
93.03354	0.3
96.95914	100.0
97.02834	0.2
97.95852	0.4
98.20592	0.2
101.02364	0.2
101.34384	0.1
109.02844	0.2
111.04426	0.1
119.04973	0.2
121.60200	0.1
132.02097	0.1
133.02881	3.2
134.03712	0.4
135.04453	3.4
136.04785	0.2
137.02316	0.2
145.02962	0.1
147.04460	0.4
153.01833	0.1
159.04446	0.2
160.01617	0.3
161.02396	7.1
162.02750	0.4
163.03935	0.2
175.03940	0.2
177.05627	0.1
179.03455	3.1
179.04924	0.2
180.03773	0.1
191.05576	0.9
193.05074	0.3
195.62462	0.1
216.98106	0.2
230.74670	0.1
257.08243	0.1
271.02554	0.1
297.09940	0.3
299.01953	0.1
300.02512	0.2
301.03418	0.2
331.19046	0.1
339.05170	0.1
421.88312	0.1
493.11142	0.1
511.12744	0.3
532.30334	0.1
553.13654	5.2
554.14105	0.7
639.84637	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	693.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60804	0.3
59.01268	100.0
60.01615	1.0
61.98713	1.7
63.29282	0.4
69.59460	1.9
69.59888	0.9
71.01257	0.6
78.22833	0.3
78.95774	2.1
93.49687	0.4
98.19764	0.6
113.02415	0.4
143.53217	0.3
152.99532	2.0
165.12865	0.4
184.91629	0.4
191.05579	0.5
197.11809	4.3
209.11853	2.3
210.12247	1.1
211.12535	0.5
219.55305	0.4
255.23309	1.0
277.21786	9.5
278.22238	1.3
291.23355	1.7
319.22925	0.7
455.17343	0.5
456.17484	0.9
457.17807	1.1
693.39148	3.4
694.43140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63992	0.3
59.01269	2.2
61.98719	15.0
62.98392	0.3
63.90949	0.3
66.04200	0.3
71.01271	0.9
71.57888	0.4
71.58303	0.4
71.90105	0.3
73.02831	0.3
78.95798	0.4
81.03336	0.5
85.02865	0.4
89.02341	0.5
93.03352	0.5
96.66556	0.3
96.95920	6.5
96.96863	0.4
108.02081	1.1
109.02883	0.9
111.04394	0.3
113.02312	0.5
119.04948	0.5
121.02831	0.3
121.47541	0.3
127.07566	0.4
136.01582	1.7
137.02374	100.0
138.01869	0.4
138.02730	3.4
138.95525	0.3
145.03001	0.3
151.07579	0.8
152.07880	0.8
161.02370	0.8
163.04012	0.3
191.05580	0.8
195.06625	2.0
196.06918	2.3
197.07112	2.0
198.07411	0.8
205.08752	0.4
224.73337	0.3
299.07797	3.5
331.19281	0.8
332.19373	0.4
409.15250	1.0
516.20581	0.3
631.27704	33.1
632.28119	6.2
716.56616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	7.4
61.98704	1.3
64.05754	0.3
70.04292	0.3
70.75365	1.1
71.01266	2.5
73.02857	0.7
78.95782	2.2
85.02835	1.1
87.00790	0.4
89.02330	0.7
93.03336	0.4
96.95914	0.4
101.02360	1.4
113.02347	0.6
133.02875	0.5
134.03699	1.0
135.04398	0.5
152.99548	1.3
154.99783	0.4
161.02411	0.5
171.10165	0.6
173.04550	0.5
181.05054	0.4
191.05539	1.1
209.11760	0.6
275.36282	0.4
277.21689	0.8
279.23410	0.5
349.09406	0.5
471.34879	3.1
472.35327	0.5
633.40222	100.0
634.40558	18.4
634.51392	0.7
693.35529	0.6
693.46545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30217	3.2
59.01262	39.6
61.98714	9.7
71.01247	19.7
72.99247	3.2
73.02824	3.5
73.64727	3.0
78.95795	27.9
80.79276	2.8
81.03360	3.7
83.01310	3.4
85.02848	8.9
87.00786	6.4
89.02347	9.8
93.03362	9.3
96.95908	9.5
101.02351	9.7
109.02827	3.8
109.41013	3.2
113.02368	8.6
119.05027	3.6
121.02916	5.9
125.02363	5.2
133.02908	8.8
134.03648	3.8
135.04425	12.8
143.55037	3.0
145.02884	7.9
147.43921	3.3
148.05219	4.7
149.06073	4.1
151.00290	4.1
152.99525	13.4
156.35741	3.2
161.02344	18.5
163.03984	4.7
173.04517	8.7
179.03430	8.1
184.62520	3.2
191.05594	38.3
191.07135	6.5
194.47523	3.4
195.13852	6.9
213.68323	3.5
264.17819	3.6
271.02496	7.8
277.21753	9.4
295.22830	80.4
296.23224	7.2
299.01910	16.9
331.19250	33.1
356.92514	4.1
397.13568	18.3
415.14700	13.6
476.79233	3.2
591.37585	6.1
611.28693	5.7
617.37885	3.6
675.35492	4.3
693.30396	100.0
694.30640	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	693.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88097	0.3
55.01779	0.6
57.03329	0.4
58.00476	0.3
59.01266	100.0
60.01593	1.5
61.98738	0.3
69.03345	0.6
70.98161	0.7
70.98488	0.3
71.01272	14.7
72.01604	0.3
72.99223	0.4
73.02837	15.2
75.00768	0.4
78.95799	5.9
83.01280	5.0
85.02844	3.2
87.00785	0.6
88.24982	0.3
89.02339	2.4
93.03374	0.7
95.01321	0.8
96.95910	1.0
96.96865	3.8
97.02853	0.3
99.00804	0.9
101.02348	18.2
102.02735	0.4
109.02887	0.9
113.02357	7.6
119.03428	2.6
125.02393	1.0
131.03418	1.7
135.04494	1.1
143.03433	1.9
147.04515	0.7
149.04501	3.6
155.03474	0.6
159.03047	0.3
159.04483	0.7
161.02457	0.4
161.04514	6.9
161.05867	0.5
173.04483	0.6
179.03494	1.2
191.05600	2.9
192.06029	0.3
203.05649	0.6
220.81987	0.3
221.06700	2.0
229.01517	1.1
233.09503	4.1
267.06778	0.7
276.10242	0.7
277.05234	0.4
294.05203	0.3
295.06335	0.8
339.05176	3.9
340.05396	0.4
353.08942	1.0
373.22433	4.1
374.23062	0.5
382.12357	0.3
415.23462	3.5
416.24002	0.4
513.10010	0.4
693.49799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16746	1.8
59.01255	3.6
63.25284	1.5
63.84713	1.6
71.01269	2.1
71.58637	2.0
78.95781	5.7
82.35323	2.1
93.03371	2.8
96.95928	2.4
133.02863	4.7
135.04430	4.6
136.52403	1.7
148.05182	2.1
149.06004	3.1
155.03328	2.1
161.02403	4.0
163.07599	3.5
173.04501	2.5
191.05597	10.8
299.02130	3.6
331.19135	17.1
339.75717	2.0
349.20352	3.6
395.51089	2.0
482.30652	1.8
693.30621	100.0
694.30798	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	693.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	0.5
67.89741	0.1
71.01257	0.2
71.04906	0.2
71.58332	0.1
73.02859	0.1
75.00781	0.1
78.95799	0.2
79.95628	2.6
85.02839	0.2
87.00779	0.2
93.03355	0.5
96.31281	0.1
96.95915	100.0
97.02862	0.3
97.95832	0.4
98.95503	0.2
111.00768	0.1
111.04427	0.1
113.02355	0.2
113.92554	0.1
114.93335	0.2
117.03371	0.1
119.04942	0.2
123.08089	0.7
134.03688	0.1
135.04434	0.5
136.04843	0.1
145.02850	0.2
155.03337	0.1
161.02501	0.1
163.03995	0.3
173.04536	0.3
179.03433	0.1
189.09308	0.2
191.05592	1.1
191.07144	0.4
193.05098	0.2
202.65884	0.1
205.08675	0.4
211.07655	0.3
227.03609	0.1
255.03142	0.2
267.36597	0.1
283.02582	0.2
284.03146	0.1
285.04077	0.3
327.08899	0.3
329.17664	2.7
330.18042	0.4
337.09277	0.1
347.18689	0.7
348.19330	0.1
371.18640	0.5
389.19632	0.2
454.85742	0.1
693.17291	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	693.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72163	0.1
52.79711	0.1
54.55589	0.1
56.08488	0.1
57.03334	0.3
59.01263	1.6
60.99187	0.3
67.01770	0.8
69.03342	0.3
71.01276	1.0
71.36981	0.1
71.37309	0.2
72.99179	0.1
73.02836	0.3
81.03370	0.4
83.04913	0.4
85.02844	8.5
86.03175	0.1
87.00768	2.5
93.03361	8.8
94.03691	0.3
97.02847	0.1
99.00778	0.3
99.04420	0.4
101.02344	0.1
109.02887	0.7
111.00777	0.3
111.04421	1.7
113.02367	0.1
117.03441	0.2
119.04964	0.5
125.02313	0.1
127.03069	0.2
127.03932	2.1
127.37978	0.1
129.01875	0.1
133.06546	0.2
137.02376	0.3
143.03394	0.3
143.04974	0.1
145.06566	0.2
155.03450	0.5
163.03937	0.3
163.75212	0.1
171.02962	0.6
173.04514	5.1
173.06010	0.3
174.04860	0.2
191.05585	100.0
192.05933	3.7
195.08170	0.8
196.08783	0.1
197.09656	0.8
211.07507	0.1
221.09738	0.1
223.07632	1.3
224.08205	0.1
233.06548	0.2
237.09120	0.3
239.10777	1.2
241.08688	0.4
244.21263	0.1
265.08795	0.3
283.09814	1.0
301.10825	0.3
309.07657	0.2
327.08835	1.5
328.08981	0.1
415.14166	0.2
430.52466	0.1
457.15012	0.7
459.13135	0.3
501.14154	12.9
502.14484	1.7
519.15228	1.3
520.14636	0.2
693.20508	14.0
694.20831	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	693.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.2
59.01263	2.8
60.45258	0.2
60.99186	0.3
67.01779	0.9
69.03348	0.3
71.01275	1.3
71.44749	0.4
73.02843	0.2
81.03352	0.5
83.04920	0.6
85.02846	10.3
86.03214	0.2
87.00768	3.1
93.03362	13.1
94.03698	0.3
97.02847	0.2
99.04420	0.4
109.02867	0.8
111.00802	1.7
111.04434	2.4
113.02380	0.3
119.04933	0.8
127.03931	2.7
132.99864	0.2
137.02374	0.4
145.06480	0.4
153.01836	0.2
155.03473	1.2
169.06601	0.3
171.02969	0.8
173.04510	9.8
174.04854	0.6
182.07346	0.5
185.05988	0.5
191.05586	100.0
192.05940	4.0
195.08127	3.0
195.53366	0.2
196.08792	0.5
197.09718	2.5
211.07658	0.7
223.07594	0.8
233.06706	0.6
239.10808	3.6
240.11174	0.4
241.08734	0.6
283.09839	6.9
284.10007	0.7
301.10919	0.7
327.08722	0.9
457.15103	0.9
458.14868	0.2
475.16541	0.2
501.14169	19.5
502.14441	3.0
519.15265	3.1
520.15619	0.8
693.20502	16.9
694.20850	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	693.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36365	0.3
57.03336	0.2
59.01265	1.9
60.99181	0.3
65.34982	0.2
65.40112	0.2
67.01797	1.2
67.43055	0.2
69.03355	0.3
69.81550	0.2
71.01283	1.1
71.43829	0.4
73.31389	0.2
81.03358	0.5
83.04923	0.5
85.02849	8.9
86.03169	0.3
87.00768	2.5
87.91978	0.2
93.03365	9.5
94.03709	0.3
96.69802	0.2
99.04426	0.3
104.43533	0.2
105.59682	0.2
108.76266	0.2
109.02862	0.8
111.00789	0.3
111.04420	1.6
119.04958	0.3
127.03947	2.3
137.02370	0.4
146.52673	0.2
150.16824	0.2
155.03468	0.8
157.53796	0.2
171.02940	0.7
173.04520	9.0
174.04800	0.3
191.05591	100.0
191.72508	0.2
192.05942	4.3
195.08099	1.0
197.09703	1.4
209.11940	0.2
211.07664	0.2
223.07741	0.4
233.06664	2.5
239.10860	1.4
241.08705	0.5
283.09872	1.0
301.10913	0.5
355.45984	0.2
408.52686	0.2
415.13980	0.2
457.15338	1.1
501.14175	13.9
502.14627	2.3
519.15173	0.8
693.20514	12.8
694.20990	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	693.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.3
58.59979	0.1
59.01263	2.0
60.99190	0.4
67.01783	1.2
69.03348	0.3
71.01260	1.2
71.12432	0.2
73.02836	0.3
74.12251	0.1
74.15260	0.1
80.56740	0.1
81.03357	0.6
83.04920	0.4
85.02846	9.4
86.03191	0.2
87.00780	3.0
93.03361	11.5
94.03692	0.3
96.95934	0.2
97.02872	0.1
99.00784	0.2
99.04412	0.4
106.97741	0.1
109.02865	0.8
111.00787	0.4
111.03726	0.2
111.04436	2.1
112.86443	0.1
113.02341	0.2
119.04958	0.7
123.50483	0.1
125.02352	0.1
127.03940	2.6
129.01871	0.2
137.02390	0.5
137.16571	0.1
143.03404	0.2
145.02811	0.1
145.06549	0.2
149.05974	0.1
153.01898	0.2
155.03459	0.8
156.15178	0.1
171.02982	0.6
171.11641	0.1
173.04515	6.4
174.04875	0.2
185.06017	0.1
191.05586	100.0
192.05930	3.6
195.08153	1.6
196.08765	0.2
197.09717	1.1
204.38907	0.1
211.07617	0.4
223.07657	0.9
224.08101	0.2
233.06670	0.7
237.09230	0.1
239.10788	1.9
240.10921	0.1
241.08708	0.4
264.99561	0.1
283.09854	1.5
284.10178	0.1
301.10629	0.2
327.08792	0.4
340.96909	0.1
405.65805	0.1
415.14081	1.1
457.15182	1.3
458.15683	0.2
501.14169	14.2
502.14572	2.2
519.15192	0.8
520.15936	0.2
627.00916	0.1
693.20502	12.1
694.20898	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	693.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
59.01268	3.0
60.99184	0.7
67.01456	0.2
67.01786	2.1
69.03346	0.6
71.01274	1.5
71.62177	0.2
73.02835	0.3
74.19463	0.2
81.03362	0.9
83.04918	0.7
85.02844	10.1
87.00777	3.8
89.02342	0.2
93.03363	17.5
94.03692	0.5
95.01283	0.3
99.00772	0.4
99.04424	0.6
102.45430	0.2
109.02887	0.9
111.00804	0.5
111.04439	2.9
111.25811	0.2
113.02369	0.2
115.03911	0.3
119.04974	1.0
127.03944	2.4
129.01892	0.3
133.02995	0.2
133.06580	0.2
137.02382	0.6
138.05518	0.7
145.02846	0.2
145.08630	0.3
155.03484	1.4
158.47884	0.2
158.56345	0.2
161.02475	0.2
163.03964	0.6
169.06583	0.3
171.02974	0.6
173.04523	14.8
174.04890	0.6
181.15443	0.2
185.06126	0.3
191.05591	100.0
192.05923	3.8
195.08183	1.6
197.09682	1.7
198.09735	0.2
211.07669	0.4
214.12907	0.2
223.07629	1.4
229.08699	0.2
233.06689	1.0
237.09225	0.3
238.09775	0.2
239.10805	3.1
240.11060	0.2
241.08791	1.1
257.11807	0.3
283.09869	2.1
284.10202	0.2
301.10928	0.4
305.11652	0.3
307.14206	0.2
309.07837	0.2
319.75150	0.2
327.08871	0.8
353.06653	0.4
392.08719	0.2
415.13837	0.6
457.15161	3.6
458.15665	0.4
459.13046	0.3
501.14182	15.1
502.14423	2.4
519.15173	2.1
520.15509	0.6
531.46564	0.2
553.81525	0.2
649.27710	0.3
693.20557	15.0
694.20966	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	693.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
58.13847	0.3
59.01262	16.5
67.01772	0.9
69.03339	0.4
71.01274	1.7
71.55518	0.5
73.02836	0.5
78.95792	9.5
80.96223	0.3
81.03339	0.6
82.34924	0.3
83.04923	0.6
85.02835	3.0
87.00762	1.1
89.02345	0.7
93.03360	4.7
96.95914	2.0
96.96864	7.0
99.00777	0.4
101.02336	1.3
107.04922	0.5
108.02055	0.9
108.04493	0.4
109.02859	17.0
110.03203	0.4
111.00785	0.5
111.04435	1.6
113.02337	1.3
117.03349	0.5
119.03405	0.4
119.04942	1.5
121.02852	1.7
122.06031	0.7
123.04462	0.6
124.08418	0.4
124.37806	0.3
127.03918	0.5
129.03404	1.9
131.04991	0.7
133.02899	2.5
133.49524	0.3
134.03674	1.7
135.02963	2.0
135.04443	19.1
136.04796	0.7
136.07574	0.8
137.02383	2.4
145.02892	5.5
146.03682	1.5
147.04448	15.0
148.04800	0.5
150.05569	0.7
155.03413	1.9
157.02899	5.9
158.03641	0.9
159.04451	11.9
160.04803	0.7
161.02394	4.9
161.04442	0.4
163.03900	1.2
173.02394	2.6
173.04509	11.3
174.03139	1.1
174.04773	0.5
175.03951	3.2
177.01891	0.5
179.03458	12.3
185.02417	4.1
186.03101	0.9
187.03969	1.1
189.01993	0.3
191.05577	30.2
192.05946	1.4
193.06624	0.9
195.06570	0.7
196.05174	0.3
197.06046	0.8
201.01942	1.6
202.02499	0.3
203.03476	1.6
209.06152	0.5
211.03934	0.4
211.07602	1.0
213.01973	0.3
220.05234	0.5
221.06139	1.9
223.07770	0.5
224.04840	1.0
225.05527	0.9
229.01425	32.8
229.09877	0.6
230.01833	2.9
233.06049	0.6
233.09505	7.4
234.09821	2.5
235.10013	0.9
237.05609	0.7
238.06279	0.7
239.03632	0.5
239.07117	2.6
245.09148	0.4
248.04837	1.3
249.05589	6.8
250.06294	1.8
251.06996	0.8
252.04599	0.3
252.07611	0.3
253.05096	1.1
254.05899	0.4
265.05136	1.9
266.05942	2.2
267.06662	15.6
268.06995	1.4
269.08231	5.2
270.08499	0.3
273.12531	1.0
274.12912	0.9
276.04333	1.0
277.05096	12.3
278.05838	2.8
279.06305	0.4
280.03842	0.9
289.80457	0.3
293.04654	5.2
294.05319	3.1
295.06171	23.5
296.06384	2.9
297.06293	1.3
299.01941	0.5
311.05615	0.3
313.07324	2.4
317.11539	0.4
318.11813	0.8
319.12067	0.6
321.04105	0.6
335.07950	0.8
335.12512	3.7
336.12863	3.8
337.13107	1.9
339.05148	100.0
340.05484	9.7
353.08844	11.9
354.09137	1.0
357.06076	1.1
359.07993	0.6
415.23465	0.5
459.09351	0.8
469.11453	2.4
470.12158	0.4
487.12546	0.9
513.10437	7.1
514.10913	1.1
531.11444	4.0
532.11700	0.4
649.15869	0.8
693.14581	5.3
693.25769	0.4
694.15137	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	691.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97376	0.8
54.00021	1.0
59.01256	1.2
60.02873	0.8
70.45371	3.5
78.95797	33.9
80.02563	1.3
81.03351	1.5
83.04913	8.0
84.02082	1.3
84.05258	0.8
96.96867	3.3
98.12006	0.7
103.12119	0.8
110.98388	1.3
122.92419	0.8
124.59238	0.9
152.99530	50.5
163.11223	5.2
165.12781	2.6
169.86070	0.8
171.00624	5.6
171.10133	1.9
191.10794	1.7
195.10222	10.1
199.13432	1.3
207.10350	1.2
209.11823	100.0
210.12140	6.7
225.11424	1.0
227.03273	3.8
227.12915	10.1
253.21776	18.9
254.22185	1.7
277.21811	7.2
278.22058	1.0
279.23325	3.0
363.12265	7.2
364.12518	0.9
413.20883	1.6
437.16028	6.9
455.16962	77.7
456.17218	6.1
691.38397	80.3
692.38660	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57446	40.9
71.57790	39.5
78.95820	72.0
104.77825	29.9
115.40512	27.8
140.63695	28.3
152.99570	64.0
192.95644	30.0
235.93819	28.0
250.08443	31.4
277.21765	100.0
408.04294	30.3
460.63055	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56773	0.1
57.81360	0.1
59.01274	0.7
59.54997	0.1
61.98718	0.5
69.40408	0.7
72.00124	0.1
78.95791	0.1
96.95919	0.1
98.19820	0.1
102.88030	0.1
108.02084	10.9
109.02403	0.2
121.02896	0.1
138.01906	100.0
138.25101	0.1
139.02252	3.1
163.11272	0.1
191.05536	0.2
191.07126	0.7
196.07030	0.1
200.08554	0.1
202.41292	0.1
205.08685	0.6
232.13199	0.1
331.19226	7.8
332.19550	0.7
349.20334	0.2
387.25290	0.1
407.36075	0.1
497.64819	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.9
70.49704	1.2
70.50108	0.9
78.95793	34.1
80.02566	2.2
81.03370	1.6
83.04918	7.6
84.02068	1.2
95.04929	1.3
96.96874	3.4
111.08056	0.6
125.05990	0.9
125.09687	0.6
135.08118	1.0
147.11708	0.8
152.99530	52.5
153.99837	0.6
163.11232	6.4
164.11565	0.8
165.12801	4.2
171.00610	6.1
181.12297	0.8
191.10713	1.5
209.11824	100.0
210.12164	6.8
225.11295	0.7
227.03314	4.3
227.12903	7.5
245.04347	1.8
253.21780	17.6
254.22095	1.1
350.89182	0.6
363.12259	7.2
364.12439	0.6
437.15808	4.6
438.16101	0.6
455.16965	74.7
456.17456	5.7
496.26163	0.5
691.38409	73.5
692.38763	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	691.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
56.22054	0.2
56.94666	0.2
57.03336	0.4
58.00476	0.7
59.01270	16.5
61.98711	1.0
65.67103	0.2
69.03336	0.7
70.61343	0.2
70.83194	0.4
70.83533	0.3
71.01275	14.4
72.99203	1.2
73.02843	2.1
75.00758	0.4
78.95788	0.6
81.03356	0.6
83.01292	1.5
85.02859	2.9
87.00776	3.1
89.02341	12.6
91.03896	0.3
93.03367	0.3
95.01289	1.1
96.95911	1.8
97.02850	1.9
99.00783	0.8
101.02352	10.6
106.78171	0.2
109.02834	0.4
111.04438	0.6
111.08083	0.3
113.01617	0.4
113.02364	5.3
113.09616	0.3
114.02673	0.2
119.03426	3.4
119.04888	0.4
121.57191	0.2
125.02367	3.4
131.03448	0.5
133.05035	0.3
134.03670	0.2
135.04437	0.4
139.03842	0.3
143.03477	1.7
145.02869	0.2
149.04474	0.7
151.07582	0.3
152.99448	0.3
155.10678	0.3
161.02388	0.3
161.04506	2.4
163.03967	0.3
167.10623	0.2
169.04976	0.3
171.73671	0.2
173.04495	0.4
177.12794	0.3
179.03447	0.3
179.03979	0.3
179.05589	2.7
179.14343	0.6
183.10240	0.6
185.04544	0.3
191.05603	1.0
195.06584	1.1
195.13901	8.0
196.06876	0.6
196.14395	0.8
205.12416	0.3
205.15974	0.4
209.11809	0.3
211.13380	0.7
217.07104	0.3
221.06653	0.8
223.13422	5.1
224.13811	0.5
228.13638	0.7
231.21178	0.3
235.08279	3.4
249.22295	0.3
253.09413	1.2
256.13229	0.9
263.07782	0.3
264.08289	0.2
265.21783	0.5
275.20224	4.5
277.21838	0.7
283.23322	0.2
287.07880	0.7
293.21310	100.0
294.21634	9.4
305.08832	0.7
323.09897	0.6
331.19205	0.6
397.13626	23.6
398.13904	1.8
415.14700	25.4
416.15048	2.1
487.34457	7.8
488.34875	0.9
654.27722	0.7
691.34021	0.7
692.36023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75428	0.2
53.04103	0.2
59.01272	0.9
64.90690	0.2
67.01783	0.2
71.01272	0.6
72.99216	0.4
75.00759	0.2
78.95789	0.3
85.02857	0.6
87.00810	0.3
93.03371	0.7
95.01294	2.6
96.95934	1.4
101.02376	0.2
108.02091	0.2
109.02872	2.0
111.00832	0.2
111.04422	0.3
113.02386	0.3
119.04948	0.4
119.69402	0.2
123.00805	17.9
123.04456	0.3
124.01157	0.6
134.03665	0.9
135.04453	33.4
136.04781	1.6
137.02393	0.8
138.03166	10.9
139.03552	0.4
147.04489	0.5
147.08144	0.3
153.05519	5.1
163.03972	0.5
166.99821	19.4
168.00182	0.8
173.04532	0.4
178.02773	0.2
181.01395	0.8
181.05023	0.6
182.02184	59.3
183.02534	2.4
191.05580	1.4
191.07138	4.0
192.07426	0.3
193.05032	0.2
197.04539	100.0
198.04890	5.3
205.08708	3.7
206.09311	0.3
221.08235	0.7
283.02716	0.2
297.09827	3.4
323.05820	0.3
331.19226	28.8
332.19577	3.0
349.19986	0.5
350.19855	0.2
353.06934	0.5
359.09900	1.6
522.15985	0.2
533.22552	0.5
544.39655	0.2
629.29761	3.6
629.39307	0.3
630.30225	0.7
691.29840	5.4
692.30115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45631	0.2
52.24308	0.2
55.01770	0.9
57.03338	0.6
58.00481	1.4
59.01267	100.0
60.01605	0.9
64.97860	0.2
69.03347	1.6
71.01273	40.3
71.60670	0.4
72.01616	0.6
72.99213	1.5
73.02839	58.5
74.03177	0.7
74.74673	0.2
75.00776	0.8
78.95795	7.7
81.03341	0.7
83.01280	17.6
83.04903	0.5
84.01633	0.4
85.02844	3.8
87.00779	1.4
89.02345	7.8
93.03363	1.0
95.01291	1.3
96.96870	4.7
97.02859	0.9
98.02376	0.7
99.00773	0.5
99.04420	0.4
101.02351	49.2
102.02685	0.9
112.68970	0.3
113.02361	15.3
114.02667	0.3
119.02581	0.3
119.03425	5.1
119.04884	0.3
122.05992	0.4
125.01510	0.4
125.02358	1.9
127.03953	0.4
131.03427	4.6
132.03751	0.3
136.07582	0.4
143.03442	5.3
147.02968	0.5
149.04503	9.8
155.03476	1.3
161.04510	16.2
162.04842	0.5
163.03905	0.4
173.04495	0.7
191.05571	2.9
203.05589	2.2
207.06477	0.5
221.06668	5.7
225.16017	0.6
229.09801	0.3
233.09518	6.0
234.09807	0.6
258.53220	0.2
265.59286	0.3
273.12460	0.3
317.11584	0.4
335.12534	1.9
451.32590	0.4
673.45972	0.3
691.47980	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	691.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07249	0.3
58.00457	0.3
59.01270	4.4
60.99210	0.3
61.98706	0.9
69.35152	2.6
71.01266	2.6
72.99196	1.1
73.02838	0.6
75.00777	0.3
78.95801	0.9
83.01276	0.3
83.02370	0.3
85.02831	1.4
87.00783	0.9
88.98710	1.0
89.02338	1.0
93.03376	1.3
95.01308	0.4
96.28726	0.3
96.95922	5.2
97.02865	0.3
98.95490	0.3
99.00805	0.4
100.33607	0.3
101.02349	1.1
107.04936	0.6
108.02095	0.3
109.02864	6.4
113.02352	1.6
116.92786	0.4
117.03350	0.4
119.03445	0.3
119.04952	1.1
120.05298	0.3
121.02836	0.4
121.06518	0.4
125.02393	0.5
133.02902	0.3
134.03670	2.3
135.04451	100.0
136.04778	4.3
137.02371	1.0
143.04956	0.5
145.02858	1.1
147.03258	0.3
152.01140	0.6
152.99556	0.3
153.01833	0.5
161.04504	0.4
163.03989	0.8
165.05531	3.5
167.03438	0.8
173.04521	1.0
179.03398	0.6
179.05539	0.4
187.04077	0.4
187.53267	0.3
191.05608	4.0
191.07196	0.8
197.04535	0.7
205.08716	0.8
209.11845	0.6
213.14877	0.6
240.95108	0.3
255.03148	0.6
256.03555	0.4
271.08344	0.8
279.08920	0.5
283.02661	1.9
284.02914	0.8
297.09863	12.4
298.10135	1.3
329.17529	0.6
331.19180	5.5
332.19690	0.4
338.10901	0.3
347.18927	0.5
349.20218	1.2
361.15732	0.3
371.15063	0.4
440.32840	0.5
441.14127	1.1
459.15479	0.6
487.34149	0.4
499.30826	1.0
603.28119	0.3
629.29791	12.8
630.30164	2.6
631.37866	1.1
649.38739	0.6
655.30084	2.0
668.29834	0.6
690.81500	1.1
691.29230	1.0
691.40747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07249	0.3
58.00457	0.3
59.01270	4.4
60.99210	0.3
61.98706	0.9
69.35152	2.6
71.01266	2.6
72.99196	1.1
73.02838	0.6
75.00777	0.3
78.95801	0.9
83.01276	0.3
83.02370	0.3
85.02831	1.4
87.00783	0.9
88.98710	1.0
89.02338	1.0
93.03376	1.3
95.01308	0.4
96.28726	0.3
96.95922	5.2
97.02865	0.3
98.95490	0.3
99.00805	0.4
100.33607	0.3
101.02349	1.1
107.04936	0.6
108.02095	0.3
109.02864	6.4
113.02352	1.6
116.92786	0.4
117.03350	0.4
119.03445	0.3
119.04952	1.1
120.05298	0.3
121.02836	0.4
121.06518	0.4
125.02393	0.5
133.02902	0.3
134.03670	2.3
135.04451	100.0
136.04778	4.3
137.02371	1.0
143.04956	0.5
145.02858	1.1
147.03258	0.3
152.01140	0.6
152.99556	0.3
153.01833	0.5
161.04504	0.4
163.03989	0.8
165.05531	3.5
167.03438	0.8
173.04521	1.0
179.03398	0.6
179.05539	0.4
187.04077	0.4
187.53267	0.3
191.05608	4.0
191.07196	0.8
197.04535	0.7
205.08716	0.8
209.11845	0.6
213.14877	0.6
240.95108	0.3
255.03148	0.6
256.03555	0.4
271.08344	0.8
279.08920	0.5
283.02661	1.9
284.02914	0.8
297.09863	12.4
298.10135	1.3
329.17529	0.6
331.19180	5.5
332.19690	0.4
338.10901	0.3
347.18927	0.5
349.20218	1.2
361.15732	0.3
371.15063	0.4
440.32840	0.5
441.14127	1.1
459.15479	0.6
487.34149	0.4
499.30826	1.0
603.28119	0.3
629.29791	12.8
630.30164	2.6
631.37866	1.1
649.38739	0.6
655.30084	2.0
668.29834	0.6
690.81500	1.1
691.29230	1.0
691.40747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75428	0.2
53.04103	0.2
59.01272	0.9
64.90690	0.2
67.01783	0.2
71.01272	0.6
72.99216	0.4
75.00759	0.2
78.95789	0.3
85.02857	0.6
87.00810	0.3
93.03371	0.7
95.01294	2.6
96.95934	1.4
101.02376	0.2
108.02091	0.2
109.02872	2.0
111.00832	0.2
111.04422	0.3
113.02386	0.3
119.04948	0.4
119.69402	0.2
123.00805	17.9
123.04456	0.3
124.01157	0.6
134.03665	0.9
135.04453	33.4
136.04781	1.6
137.02393	0.8
138.03166	10.9
139.03552	0.4
147.04489	0.5
147.08144	0.3
153.05519	5.1
163.03972	0.5
166.99821	19.4
168.00182	0.8
173.04532	0.4
178.02773	0.2
181.01395	0.8
181.05023	0.6
182.02184	59.3
183.02534	2.4
191.05580	1.4
191.07138	4.0
192.07426	0.3
193.05032	0.2
197.04539	100.0
198.04890	5.3
205.08708	3.7
206.09311	0.3
221.08235	0.7
283.02716	0.2
297.09827	3.4
323.05820	0.3
331.19226	28.8
332.19577	3.0
349.19986	0.5
350.19855	0.2
353.06934	0.5
359.09900	1.6
522.15985	0.2
533.22552	0.5
544.39655	0.2
629.29761	3.6
629.39307	0.3
630.30225	0.7
691.29840	5.4
692.30115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68372	3.0
59.01263	14.8
61.98426	3.1
61.98706	22.7
66.19273	2.9
69.23397	31.9
69.23817	6.9
69.99564	3.2
71.01278	3.8
78.95791	13.3
80.96296	3.1
87.00757	3.0
88.98691	15.7
89.02357	3.6
95.65309	3.2
96.95899	8.2
96.97719	2.8
101.02336	3.0
118.52324	3.1
123.08048	7.5
128.07190	3.3
133.02867	10.0
135.04454	26.2
138.01877	3.8
148.05228	14.6
149.06035	4.6
151.07552	11.1
152.07936	5.8
152.99454	8.1
161.02408	33.2
163.07553	5.0
173.04498	3.8
179.03525	24.2
191.05531	12.4
191.07083	6.2
195.06636	22.7
196.06958	17.7
197.07130	10.5
198.07310	4.5
221.04555	4.8
231.10178	3.7
277.21750	5.4
281.06631	5.1
323.07779	14.1
329.17703	43.2
330.17947	7.6
341.08890	16.0
347.18872	21.2
413.20892	3.9
534.21405	4.4
575.21783	3.7
609.26801	5.2
655.27905	7.2
655.38324	8.9
691.28827	100.0
692.29230	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	691.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64541	0.2
56.55584	0.3
57.03334	0.3
59.01268	2.0
71.01264	1.2
71.60204	0.5
73.02868	0.4
74.63035	0.3
78.95797	69.9
80.04893	0.4
83.01283	0.4
83.43880	0.3
85.02840	0.9
87.00784	0.7
89.02350	0.5
93.03350	1.4
93.89719	0.3
95.01288	0.4
95.96086	0.4
96.96868	53.8
101.02322	0.4
104.93071	0.4
108.04458	0.3
109.02898	0.3
109.06516	0.3
119.04951	0.8
120.04478	0.6
122.06009	0.7
127.07603	0.6
134.03676	0.5
135.04474	0.6
145.02850	0.4
146.03639	0.4
147.78484	0.3
149.02362	0.4
150.03152	0.5
150.05548	1.3
151.00378	0.6
152.01125	0.6
155.03409	0.6
157.22513	0.3
161.02357	0.6
163.03947	0.7
165.05527	0.9
173.04524	1.7
177.05537	0.5
178.02505	0.4
178.99854	0.6
179.03387	0.4
191.05605	4.6
193.05042	0.5
195.06593	1.3
196.75630	0.3
201.10335	0.4
207.23294	0.3
213.10349	0.3
233.09503	100.0
234.09854	5.7
241.09900	0.5
255.11444	0.4
267.07126	0.4
273.12512	0.7
283.10953	0.8
301.11884	0.9
315.10913	0.4
319.12955	0.6
335.12595	1.2
416.45596	0.3
527.12415	0.3
597.23584	0.6
599.22089	0.4
641.23114	1.5
659.23773	1.6
673.25079	0.3
691.28204	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	691.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
59.01272	0.7
60.99203	0.4
61.91415	0.3
67.01778	1.3
69.76202	1.5
69.76614	0.8
71.01274	1.0
81.03352	0.7
82.98991	0.3
83.04911	0.4
85.02840	5.3
87.00774	2.9
91.34389	0.3
93.03364	11.7
94.03669	0.5
98.20473	0.4
99.04408	0.6
107.04942	0.4
108.02081	0.4
109.02896	1.6
111.04429	2.7
115.36540	0.4
117.03374	0.3
119.04939	1.9
121.02864	0.6
123.04445	0.4
125.02404	0.4
127.03866	1.6
128.71468	0.3
133.02859	0.8
135.04446	6.3
136.04832	0.5
145.02864	0.4
149.06102	0.4
154.79144	0.3
155.03499	0.8
161.02419	2.0
163.03979	1.9
171.03008	0.6
171.04449	0.8
173.04514	9.2
179.03499	4.5
191.05588	100.0
192.05920	4.2
215.03438	1.3
227.07011	0.4
239.07159	0.7
255.10245	2.2
281.08206	0.5
307.05627	0.4
309.09305	0.4
311.11652	0.4
325.07227	0.7
337.09302	3.6
343.08429	1.9
353.08850	14.3
354.09219	0.9
494.12109	0.4
499.12332	1.9
501.14322	0.3
517.13715	3.2
518.13995	0.4
691.18945	23.5
692.19171	3.7
717.45068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95409	0.4
57.03336	0.9
59.00995	0.7
59.01267	7.4
61.98695	0.4
67.01756	0.7
71.01264	1.5
71.17854	1.0
73.02850	0.9
73.75527	0.5
75.00751	0.6
78.95801	31.8
81.03352	0.8
83.01292	0.6
83.04920	0.9
85.02850	1.4
85.82117	0.5
89.02354	0.6
93.03371	2.3
94.02898	1.9
96.95904	1.2
96.96867	25.0
98.02386	0.5
99.74748	0.4
101.02354	1.3
107.04957	0.4
108.04478	2.5
109.02775	0.5
111.04445	1.4
113.02322	1.4
119.04949	1.2
120.04479	0.6
121.02877	0.5
122.06037	9.2
124.03955	1.7
125.01586	0.4
125.02347	2.6
133.02917	0.9
133.03963	0.9
134.03659	1.5
134.06042	1.8
135.06781	0.7
136.03996	3.4
136.07631	9.5
138.05579	2.3
145.02870	0.8
149.02417	0.5
150.05560	10.3
151.00290	0.8
151.07594	6.8
152.01083	0.7
152.07103	1.8
155.03473	0.7
161.02415	0.6
163.04018	1.0
164.07129	0.5
165.05550	0.5
171.06714	0.7
173.04596	1.9
174.09198	1.1
176.03526	1.2
178.99837	0.8
185.09770	0.5
186.09250	3.8
187.09779	0.5
187.11298	0.7
189.07751	1.0
190.05125	1.0
191.05617	4.9
193.05051	1.5
195.04803	1.0
195.06619	19.4
196.06952	1.3
201.06535	2.4
202.07448	1.7
202.08937	0.9
202.12401	2.2
209.08206	0.9
212.10742	1.3
214.07315	0.6
215.08212	3.2
219.06671	2.1
228.10352	3.3
229.09850	15.8
230.12029	9.0
231.11546	0.5
233.09511	43.8
234.09830	3.0
237.07715	1.4
239.08185	0.6
240.09073	0.6
244.08545	0.5
245.09366	5.2
245.12971	0.7
255.11429	4.2
257.09332	6.7
258.10068	1.9
259.11047	0.6
271.06030	1.1
273.12518	21.3
274.13266	1.9
275.10428	1.8
286.08585	0.6
288.35022	0.5
299.10492	0.7
301.10901	1.1
317.11514	14.0
317.15234	0.7
318.11966	1.3
333.11951	0.8
334.11841	1.5
335.12570	100.0
336.12881	9.8
355.13278	2.2
357.12076	3.6
385.12918	1.3
399.99356	0.4
529.19208	2.6
599.21179	0.7
631.23322	0.5
691.25592	3.8
691.79883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.19
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.9
59.30971	0.8
67.01763	1.1
69.37570	7.7
71.01254	1.0
78.95778	0.9
85.02842	6.4
87.00777	2.6
93.03366	9.2
96.96868	1.3
109.02845	1.5
111.04415	2.9
119.04942	4.8
127.03884	1.7
135.04451	8.1
137.02438	0.9
141.59807	0.9
145.02908	1.0
153.01820	0.9
161.02382	3.7
163.03963	9.0
171.02933	1.2
173.04524	4.8
174.84038	0.7
177.71671	0.7
179.03468	6.6
191.05591	100.0
192.05878	4.9
215.03445	1.0
227.07115	1.1
239.07149	0.9
251.10542	2.4
255.10242	2.5
279.06628	1.1
280.06970	1.5
281.07974	1.5
337.09366	5.3
338.09561	1.5
343.08585	1.0
353.09052	4.5
499.12521	3.3
517.13263	5.6
691.18878	28.0
692.19165	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	691.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.3
70.72773	1.4
70.73139	3.2
71.01254	1.1
83.04933	1.2
85.02852	7.0
87.00761	2.9
93.03366	5.2
101.79945	1.0
111.04446	3.0
119.04945	33.3
120.05276	1.7
127.03918	3.4
133.02855	0.9
135.04430	1.1
155.03458	1.8
161.02354	1.9
163.03961	46.0
164.04234	1.8
173.04474	3.4
179.03432	1.1
191.05582	100.0
192.05888	1.9
337.09348	32.5
338.09674	2.7
353.08847	8.8
373.45233	1.1
419.16910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69260	0.2
57.03353	0.3
59.01265	0.7
60.99182	0.4
67.01773	1.0
69.03324	0.3
69.74316	1.2
71.01255	0.9
81.03313	0.4
85.02842	5.2
87.00768	2.2
93.03360	7.7
95.01308	0.2
96.95921	0.3
99.04417	0.3
107.04967	1.1
108.02062	0.3
109.02862	0.8
111.04427	2.0
119.04926	0.7
121.02878	0.4
123.04446	0.4
125.02367	0.4
127.03939	1.3
133.02861	0.8
134.03241	0.5
135.04446	1.0
145.02905	0.3
153.01869	0.8
155.03386	0.4
161.02406	1.5
163.03955	0.5
168.73450	0.2
171.03015	0.6
173.04510	7.8
177.01878	0.3
179.03439	3.8
180.03764	0.3
191.05580	100.0
192.05922	4.3
232.47421	0.2
263.07291	0.3
307.06262	0.4
337.09396	7.1
338.09613	0.6
352.07629	0.4
353.08838	24.2
354.09204	2.4
433.27658	0.2
499.12613	0.7
531.96735	0.2
691.18640	2.0
692.19318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03608	0.1
59.01268	1.0
61.98701	0.3
71.01260	0.4
71.04910	0.1
71.60812	0.1
78.95770	0.1
82.08961	0.1
85.02850	0.1
89.02360	0.2
93.03304	0.1
96.95898	0.2
101.02335	0.1
108.02082	11.4
109.02418	0.3
111.04396	0.1
119.03455	0.1
119.04852	0.1
121.02915	0.2
123.07175	0.1
123.08085	1.7
125.02408	0.1
127.07554	0.1
136.03993	0.1
137.02350	0.1
138.01906	100.0
139.02254	3.1
139.03888	0.1
139.29253	0.1
151.03923	0.1
151.07573	0.1
160.03871	0.1
161.02388	0.1
161.09708	0.1
180.02968	0.1
191.05495	0.2
191.07082	1.1
191.88338	0.1
195.06699	0.4
196.07042	0.3
198.79012	0.1
205.08693	1.0
209.11874	0.1
221.08247	0.2
221.12988	0.1
235.17159	0.2
275.20270	0.2
293.21286	0.6
305.83429	0.1
329.17654	9.3
330.17923	1.0
331.19366	0.2
347.18848	0.4
371.18887	0.1
389.19501	0.1
397.13760	0.4
415.15057	0.2
449.73444	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	689.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.4
59.01268	0.6
61.98714	0.4
63.05618	0.1
63.96752	0.2
65.00218	0.5
66.75906	0.1
67.01782	0.2
69.03342	0.2
69.36978	0.4
69.37399	1.0
71.01279	0.3
71.04916	0.5
73.02865	0.2
73.43718	0.1
78.95815	0.2
81.03348	4.2
82.03696	0.2
83.01279	1.0
85.06489	0.4
87.04404	0.4
92.04967	0.2
93.03342	0.3
95.04927	0.3
98.19749	0.2
101.02364	0.3
107.01305	0.6
108.02081	0.2
109.06504	2.5
111.04427	6.0
112.04800	0.1
113.02369	0.2
121.02855	0.2
122.03648	1.3
123.04509	0.2
123.08083	1.6
125.02370	14.0
126.02690	0.4
127.07576	0.6
133.06494	0.2
135.04462	0.2
136.03964	0.3
138.01915	0.5
139.03917	0.2
140.63722	0.1
145.59180	0.2
149.02371	0.8
149.05969	0.2
151.00319	1.3
151.07588	30.9
152.07947	1.4
153.05515	0.5
161.02350	0.2
162.03168	0.1
167.03467	0.4
175.07346	0.2
177.05505	0.7
190.02701	0.2
191.03539	0.2
191.05548	0.2
191.07141	0.4
195.06606	100.0
196.06941	5.1
197.07111	0.4
219.06651	0.9
220.06903	0.2
233.09505	0.1
237.07661	0.4
245.19003	0.2
250.21541	0.1
261.07779	0.3
273.97363	0.2
287.20163	0.5
305.21252	1.0
313.17944	0.2
329.17618	0.4
330.18170	0.2
331.18933	0.8
349.20300	0.6
355.19302	1.4
356.19757	0.2
357.11987	1.4
373.20187	0.7
397.13330	0.2
397.20142	0.5
403.21353	0.2
409.46091	0.1
415.21277	0.6
433.22421	0.2
493.24631	1.7
494.24878	0.2
619.27826	0.2
645.33191	0.2
671.31256	0.2
689.31927	13.8
690.32257	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	689.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96403	0.2
57.03334	0.6
59.01251	0.5
61.98728	0.3
65.00204	0.9
67.01811	0.2
69.03351	0.2
70.74041	0.3
70.74408	0.3
71.01274	0.5
74.28010	0.1
78.95795	1.2
80.02563	0.1
81.03347	4.5
83.01248	0.8
85.06494	0.8
87.04402	0.6
93.03368	0.5
95.04949	0.3
96.95928	0.3
97.02850	0.5
97.06517	0.2
105.03424	0.2
107.01291	0.5
107.04958	0.2
109.02873	0.4
109.06499	2.3
111.04424	4.1
111.05133	0.2
113.05995	0.3
121.02892	0.3
122.03643	1.6
123.00816	0.2
123.04416	0.5
123.08041	0.3
124.01607	0.4
125.02371	6.8
126.02689	0.2
127.07573	0.5
131.01314	0.3
133.02893	0.2
133.06544	0.2
135.04414	0.4
139.03966	0.4
149.02386	1.4
151.00299	0.9
151.07587	38.1
152.01083	0.6
152.07919	1.4
152.99522	0.3
153.05502	0.4
161.02380	0.3
161.06071	0.2
163.07626	0.2
165.01884	0.2
165.05594	0.8
165.09137	0.2
166.02718	0.3
167.03407	0.3
171.10239	0.2
175.00339	0.7
177.05540	0.6
179.03520	0.4
179.07091	0.9
191.05565	0.7
191.07140	1.7
193.05078	0.6
194.05783	0.5
195.06604	100.0
196.06950	5.3
196.09131	0.2
196.09459	0.1
201.05563	0.6
205.08698	0.3
207.06621	0.9
208.07265	0.5
209.08200	2.8
219.06624	25.7
220.06969	1.5
221.08249	0.5
222.98537	0.2
233.08156	0.2
235.06161	0.3
237.07706	7.9
238.08044	0.5
249.07654	1.4
261.07663	0.5
280.73645	0.2
297.09885	0.2
331.19241	2.8
332.19684	0.3
339.10840	0.4
357.11984	15.9
358.12311	1.4
439.21298	0.2
467.19223	0.8
689.31897	17.0
690.32245	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	689.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.8
61.98717	2.3
69.13020	0.5
69.55214	3.5
71.01270	2.1
71.29677	0.5
81.03374	4.6
83.01273	0.9
83.28123	0.5
85.06487	0.7
89.02369	0.9
96.95882	0.5
97.02856	0.9
101.02314	1.1
106.21973	0.6
109.06499	2.6
111.04435	5.2
122.03680	1.9
123.04430	0.8
125.02381	7.6
133.02879	0.7
135.04456	1.9
137.02377	1.0
149.02380	1.6
151.00302	1.3
151.07605	39.0
152.01123	1.1
152.07925	1.6
153.05511	1.4
161.02417	0.8
171.10213	1.0
175.00330	0.9
177.05550	1.2
179.03574	0.8
191.05554	1.5
191.07141	1.9
195.06624	100.0
196.06961	6.8
197.07216	1.0
199.13306	0.7
207.06667	1.1
207.10088	0.7
209.08214	2.7
209.11748	2.5
211.13516	0.8
219.06639	23.8
220.07005	2.3
225.11316	0.9
237.07758	8.4
238.07892	0.8
244.18481	0.6
249.07716	1.5
257.08395	0.7
283.99554	0.7
291.19733	1.2
313.18158	1.2
331.19247	4.4
357.12024	20.7
358.12518	1.4
395.59326	0.5
397.13376	0.8
403.35590	0.6
467.19455	1.0
659.32166	0.6
659.81628	0.6
689.31787	14.8
690.21918	0.7
690.32373	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	689.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19540	0.1
57.03339	0.6
59.01265	1.1
60.99160	0.1
61.98721	0.4
65.00188	0.5
67.01778	0.1
69.03352	0.2
70.94006	0.2
71.01272	0.6
72.06989	0.1
72.47926	0.1
72.99203	0.4
78.79758	0.1
81.03350	3.8
83.01278	0.9
85.02863	0.3
85.06490	0.5
87.04424	0.4
88.98714	0.4
89.02347	0.2
93.03384	0.2
95.01328	0.1
96.95912	0.1
97.02847	0.1
101.02351	0.2
107.01301	0.5
108.02087	0.2
109.02863	0.1
109.06502	2.2
109.18889	0.1
110.06818	0.1
111.00819	0.1
111.04433	3.3
112.04674	0.1
113.52276	0.1
121.02903	0.2
121.06503	0.1
122.03667	1.4
123.04445	0.3
123.08087	0.2
124.01548	0.1
125.02371	4.7
125.06078	0.1
126.02737	0.1
127.07560	0.3
133.02872	0.2
133.06514	0.2
134.82710	0.1
135.04457	0.8
137.02379	0.2
138.01906	0.7
149.02376	0.6
149.06026	0.1
151.00316	1.0
151.07593	26.5
152.01115	0.1
152.07945	1.3
153.05504	0.3
161.02328	0.2
162.03203	0.1
165.05630	0.1
165.09140	0.1
167.03436	0.1
171.10170	0.1
177.01796	0.1
177.05573	0.7
179.03444	0.1
191.05537	0.2
191.07127	2.0
192.07501	0.1
195.06613	100.0
196.06960	4.9
197.11850	0.1
205.08681	1.3
206.09386	0.1
207.10146	0.1
209.08124	0.1
209.11784	0.5
209.24236	0.1
219.06654	0.9
221.08176	0.3
227.13011	0.1
237.07640	0.8
291.19638	0.1
313.18182	0.1
331.19229	14.0
332.19580	1.5
339.10938	0.2
357.12003	6.9
358.12201	0.8
447.23541	0.1
513.25330	0.7
513.75555	0.3
659.31628	0.2
659.81006	0.1
689.32025	1.6
690.32294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.01261	0.3
61.98711	0.1
65.00186	0.6
69.03348	0.1
69.42231	0.6
71.01297	0.1
80.02574	0.1
81.03349	3.3
82.03696	0.1
83.01271	0.7
85.06503	0.4
87.04426	0.3
90.02830	0.1
96.95914	0.1
97.06503	1.1
98.19801	0.2
107.01286	0.5
107.04961	0.2
109.06505	2.2
110.06850	0.1
111.03651	0.1
111.04429	2.8
116.57474	0.1
118.54638	0.1
121.02882	0.2
122.03642	1.2
123.04453	0.2
123.08070	0.2
125.02375	4.6
127.07587	0.1
133.06577	0.1
136.05251	0.1
149.02409	0.4
149.05989	0.2
151.00352	0.9
151.07590	24.2
152.07927	1.1
153.05518	0.3
162.03154	0.1
167.03462	0.2
177.05553	0.6
191.03535	0.1
191.05566	0.1
191.07121	0.3
195.06609	100.0
196.06944	4.9
219.06670	0.5
237.07735	0.7
255.23300	0.2
271.17081	0.1
331.19244	3.9
332.19626	0.4
339.10712	0.1
349.20291	0.1
356.20770	0.1
357.11984	9.8
358.12241	0.8
513.21387	0.1
689.31818	2.0
690.32013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
58.61364	0.1
59.01274	0.4
61.98722	0.1
63.02304	0.1
65.00199	0.6
67.01789	0.1
69.03345	0.2
69.57623	0.5
69.58032	0.2
71.01278	0.3
80.02571	0.1
81.03350	3.7
82.03699	0.1
83.01269	0.7
85.06485	0.5
86.99740	0.1
87.04399	0.5
93.03362	0.1
95.04928	0.1
97.02879	0.1
107.01288	0.4
108.02103	0.2
109.06503	2.3
111.04430	3.2
122.03649	1.4
123.04462	0.2
123.08074	0.2
125.02374	4.7
126.02716	0.1
126.57133	0.1
127.07556	0.2
133.06514	0.2
134.03709	0.1
135.04500	0.3
136.05234	0.1
137.02449	0.1
139.03937	0.2
147.08128	0.1
149.02448	0.4
149.06044	0.1
151.00330	1.2
151.07591	27.0
152.01056	0.1
152.07932	1.2
153.05536	0.3
162.03221	0.1
163.07541	0.1
163.11237	0.2
167.03508	0.2
171.10220	0.1
177.05565	0.8
179.03380	0.1
191.03667	0.1
191.05539	0.2
191.07072	1.1
195.06610	100.0
196.06952	5.1
196.09607	0.1
205.08749	0.6
207.10194	0.1
209.11792	0.5
211.13437	0.1
219.06688	0.6
225.11131	0.1
237.07631	0.7
331.19232	9.1
332.19586	0.9
334.51920	0.1
339.10822	0.3
357.11975	6.5
358.12228	0.5
533.61713	0.1
689.31866	2.2
690.32471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46888	0.4
57.03317	0.4
57.93827	0.3
59.01265	20.6
59.01538	0.9
61.98686	0.7
71.01279	2.5
71.04912	3.4
71.58212	0.3
72.99200	4.9
73.02804	0.8
81.03327	0.7
83.04917	1.6
85.02847	1.8
86.61196	0.3
87.00731	0.9
89.02298	1.3
93.03331	0.8
95.04910	0.5
97.02848	1.5
97.06436	1.0
99.00193	0.3
99.00776	4.8
101.02375	2.4
106.04092	0.7
107.04923	0.5
108.02090	1.8
109.02827	0.9
109.06454	0.6
110.03587	0.4
113.02305	1.3
119.03371	0.5
119.04971	2.5
121.02900	1.7
123.00780	2.1
123.03654	0.4
123.04446	5.1
123.08076	6.6
124.01563	0.8
124.08470	0.4
125.02386	0.4
125.09694	1.5
127.07546	0.8
134.03629	1.1
135.04460	15.2
135.08018	0.6
136.04308	0.3
136.05254	7.6
137.02328	0.8
137.06029	9.9
138.03130	0.9
145.10152	0.5
147.08037	0.7
149.05949	0.4
150.03159	0.6
151.03966	2.5
151.07582	2.7
153.05499	1.1
154.51430	0.3
161.04468	0.9
161.09645	0.7
163.03946	0.9
163.11243	4.2
166.99783	2.2
171.10278	2.1
173.04419	0.5
177.05536	0.5
178.02559	0.5
179.03482	2.6
181.10789	0.5
181.12300	6.0
182.02170	7.3
182.05780	1.5
182.12587	0.4
189.05588	0.4
189.09093	0.7
191.05550	2.6
191.07100	19.8
192.07442	1.2
193.05063	1.0
194.05389	0.4
195.06612	54.9
196.06984	3.4
197.04541	18.0
197.08221	2.3
197.11723	0.5
198.04901	1.0
199.13374	3.3
205.08693	15.6
206.09123	1.4
207.10269	7.6
208.10606	0.5
209.11824	12.8
210.12198	0.9
219.13982	0.4
219.62398	0.3
221.08269	2.4
222.08578	0.4
225.11340	11.8
226.11620	0.6
227.12854	1.4
231.13879	0.5
243.10106	0.6
243.12399	6.1
253.09297	1.2
263.13065	0.4
276.42023	0.3
281.12564	0.3
285.18750	0.9
287.16620	0.3
297.09808	0.5
299.28027	0.3
303.20007	1.1
313.18158	0.7
321.18723	0.3
329.17651	28.2
330.17972	3.3
331.19223	100.0
332.19528	11.9
347.18683	14.8
348.19070	1.6
349.20319	3.2
350.20590	0.4
357.12000	4.6
359.09851	2.9
359.13672	0.5
360.09808	0.5
461.20581	1.3
479.21356	2.5
480.22345	0.5
619.21820	0.3
627.28815	0.5
646.39099	0.4
647.36926	0.4
671.33472	1.2
672.35718	0.3
689.34613	28.7
690.35242	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	17.4
61.98716	21.6
66.95995	0.3
70.33513	1.4
71.01273	2.4
73.02817	0.6
75.47646	0.3
83.01265	0.4
85.02847	1.6
87.00732	0.4
89.02319	0.8
93.03379	0.4
97.02862	0.3
99.00797	0.5
101.02325	0.7
108.02084	2.0
109.06492	0.6
113.02339	1.4
119.04938	3.0
121.02847	1.3
123.04456	2.7
123.08074	0.9
124.01583	1.2
125.02357	0.8
127.07563	1.3
130.50441	0.3
134.03638	1.1
135.04448	8.9
136.05244	9.0
137.02411	0.4
137.05724	0.4
147.08089	1.1
149.05984	0.6
150.03137	1.0
151.03935	2.3
151.07594	6.9
152.07925	1.3
153.08081	0.5
161.04553	0.4
161.09634	0.9
163.11247	2.0
166.13417	0.3
173.04575	0.4
177.05525	1.2
178.02660	0.5
178.05925	0.6
178.75330	0.4
182.02182	4.1
191.05589	1.0
191.07101	14.6
192.07466	1.2
195.06606	78.2
196.06949	3.7
197.04530	5.6
197.11771	0.4
198.04881	0.4
205.08693	8.3
206.09212	1.1
207.10274	0.6
209.11897	1.1
213.14973	0.4
221.08192	0.9
225.11374	0.6
269.18951	0.5
313.18170	0.6
329.17572	0.5
331.19217	100.0
332.15540	0.6
332.19540	11.6
347.18768	1.8
349.20313	5.2
350.20514	0.6
357.12000	5.8
359.09821	0.9
468.19617	0.8
469.19922	0.5
609.29968	1.1
638.30658	0.4
689.31506	9.4
690.32281	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	689.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.0
61.98723	0.6
69.27026	2.8
69.27424	0.8
71.01286	1.0
71.04925	1.4
72.99194	1.6
78.95786	0.8
85.02834	0.8
87.00754	0.4
93.03368	0.7
95.01292	2.6
96.21543	0.3
96.95921	1.0
97.02887	0.5
103.06977	0.3
107.04898	0.6
108.02081	0.7
109.02872	5.8
111.04408	0.3
113.02361	0.7
121.02904	0.4
121.06552	0.5
123.00798	19.2
123.04433	0.7
123.08075	6.0
124.01141	0.5
124.08496	0.3
125.30936	0.3
130.73920	0.3
133.02869	0.8
134.03683	2.3
135.04451	100.0
136.04771	3.3
137.02374	1.2
138.03163	10.7
145.02867	0.4
151.03877	0.3
152.99503	0.6
153.05519	5.1
159.04335	0.4
161.02373	1.5
161.04471	0.3
161.09682	0.5
162.02660	0.4
163.03943	0.5
166.99815	22.2
168.00136	0.9
173.04480	0.6
179.03470	1.8
179.04930	0.3
179.10802	0.5
180.03783	0.3
181.01376	0.7
182.02177	59.2
182.73152	0.3
183.02473	1.8
189.09271	0.4
189.61278	0.3
191.05556	3.5
191.07129	4.9
192.07425	0.4
197.04538	93.3
198.04877	3.7
205.08704	4.5
206.09277	0.4
207.10242	0.4
209.11743	0.9
219.13847	0.4
221.08194	0.5
255.23251	0.5
271.02594	0.7
297.09875	9.9
298.10126	0.5
299.01974	1.5
300.02499	0.7
303.19690	0.5
314.04480	0.4
315.05112	0.5
329.17645	34.2
330.17905	2.6
339.05127	0.8
347.18677	4.9
348.19089	0.4
359.09915	1.9
513.10376	0.5
627.18750	0.5
627.28296	6.4
628.28625	1.0
653.15289	0.8
688.39117	0.8
689.28131	3.9
690.28607	0.7
694.99640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.7
61.98722	100.0
62.68379	0.1
62.98406	0.1
71.01284	0.7
71.04916	0.1
71.58926	0.1
73.02829	0.2
81.03350	0.1
85.02862	0.2
87.00787	0.1
89.02341	0.5
91.01801	0.2
93.03373	0.1
95.01266	0.1
97.02865	0.2
99.00786	0.1
101.02372	0.3
107.08588	0.5
108.08937	0.1
109.02860	0.1
109.06506	0.4
113.02380	0.1
118.97135	0.1
119.04977	0.1
121.02953	0.1
122.03654	0.3
123.08078	0.3
125.02438	0.1
127.07612	0.2
131.03452	0.1
133.06531	0.4
135.04486	0.4
136.04811	0.1
137.02400	0.1
141.42279	0.1
146.37535	0.1
149.04491	0.3
150.06738	0.1
151.07599	8.0
152.07938	2.1
163.11267	0.1
165.09302	0.1
166.97357	0.1
171.10260	0.2
173.04582	0.1
177.05547	1.9
178.05888	0.7
179.03336	0.1
191.05606	0.4
191.07162	0.2
192.07523	0.1
193.04907	0.1
194.05658	0.1
195.06627	1.4
196.06947	0.3
197.11798	0.2
201.11388	0.1
205.08652	0.2
206.08963	0.1
207.10202	0.2
209.11827	0.8
210.12067	0.1
225.11313	0.2
227.12994	0.1
238.08075	0.1
253.09312	0.1
262.29446	0.1
313.18216	0.3
314.18558	0.2
315.18881	0.2
329.17758	0.2
330.17865	0.1
331.19174	0.6
332.19574	0.3
333.19882	0.2
357.11951	0.2
358.12344	0.2
383.09915	0.1
384.10120	0.1
467.19302	1.0
468.19672	1.5
469.19891	0.1
570.19989	0.1
687.30280	0.7
688.30804	7.3
689.31293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32566	0.6
59.01268	6.6
62.96291	1.0
71.57854	1.1
78.95795	85.0
96.96861	8.8
103.91920	0.9
110.84406	0.7
150.29721	0.8
150.97934	0.8
152.99530	58.5
153.99841	1.4
171.00493	0.7
171.10239	0.7
174.99188	2.0
181.12170	0.7
195.13937	5.1
215.69641	0.7
217.00307	6.3
241.21863	0.8
255.23332	100.0
256.23663	9.6
277.21747	4.8
295.22861	22.3
296.23175	1.6
322.91589	0.9
374.71701	0.8
391.22644	34.5
392.22897	4.4
400.89148	0.7
409.23685	12.7
410.23776	1.6
431.22113	11.3
432.22253	1.1
449.23169	1.8
449.95886	0.7
462.89603	2.6
604.91260	1.7
687.46228	52.1
688.46521	9.7
703.71417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3253
Annotation	Kidamycin
Peak:m/z	Relative Intensity
55.01765	1.0
55.10239	0.6
57.03333	1.0
58.00454	0.5
59.01268	6.4
69.03333	4.3
71.01266	6.2
71.04908	2.1
71.61205	0.6
73.02840	0.9
75.00783	1.1
80.02566	0.7
81.03344	2.6
83.01266	1.2
83.04922	4.7
84.02063	1.2
85.02844	1.7
87.00780	1.2
89.02363	2.9
93.03312	0.6
95.01282	0.7
95.04941	1.3
96.95909	0.7
97.06519	0.8
101.02340	4.0
109.06502	1.2
111.04434	1.6
113.02357	1.7
119.03418	0.9
119.04926	1.8
122.03633	1.2
123.08097	1.5
125.02348	3.0
125.09633	1.4
135.04362	0.9
137.09659	0.8
151.04030	1.2
151.07596	10.7
151.11224	1.7
152.08014	0.6
153.12776	1.5
161.04509	1.1
161.09662	2.8
163.03970	1.0
163.11221	2.9
165.01813	0.6
165.12834	1.3
171.10152	0.7
179.10747	6.7
180.11076	0.7
181.12332	0.8
189.29820	0.6
191.05594	1.4
191.07147	0.6
193.05019	1.1
195.06625	40.7
196.06995	2.0
196.63129	0.6
197.11827	67.9
198.12137	3.5
205.08658	0.8
209.11829	41.0
210.12178	2.6
223.09770	1.2
225.11253	1.0
227.12910	3.3
241.10878	3.9
244.94662	0.6
253.09311	2.3
318.90634	0.5
329.17633	4.9
331.19229	0.7
339.11029	0.6
347.18628	0.7
431.05820	0.7
459.18362	1.4
477.19827	2.2
669.31763	0.8
673.69684	0.6
687.32471	100.0
688.32855	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	687.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96883	0.3
54.24247	0.3
57.03340	0.5
59.01265	22.1
61.55370	0.3
69.77780	0.3
71.01263	2.0
71.04911	4.9
73.02829	0.6
75.00778	0.4
78.95796	0.4
81.03344	0.4
82.68903	0.3
85.02831	0.6
89.02339	0.6
92.51981	0.3
93.03371	0.8
96.95914	0.4
97.02863	0.6
101.02350	1.4
107.04965	0.7
108.02087	3.0
108.63176	0.3
109.02852	0.9
111.04412	0.5
113.02345	1.2
119.04957	2.9
121.02859	2.0
121.06493	0.6
122.03651	0.5
123.04433	3.5
123.08077	18.8
124.01571	1.2
124.08417	0.9
125.02392	0.6
127.07577	0.6
133.10146	0.6
134.03674	1.0
135.04454	12.2
136.05241	11.0
137.02414	0.3
137.05562	0.4
149.06090	0.4
150.03188	0.9
151.03957	3.0
151.07590	3.1
152.01073	0.5
152.99535	0.3
161.02370	0.4
161.04544	0.7
161.09637	1.4
163.03973	0.4
163.07607	0.3
173.04503	0.5
177.05609	0.9
177.12845	0.5
189.09221	2.2
191.05626	1.0
191.07106	14.7
192.07545	0.7
193.04990	0.8
195.06607	100.0
196.06958	4.6
201.12828	0.5
203.07117	0.4
205.08690	13.8
206.09171	1.2
207.10225	0.4
209.11815	0.4
219.13829	1.3
221.08211	1.8
223.09703	0.3
231.13943	0.6
245.11852	1.9
255.23224	0.5
263.13092	0.5
275.12955	0.4
285.18661	1.4
299.02036	0.4
303.19766	1.4
329.17651	91.2
330.17990	10.5
347.18723	20.8
348.18994	2.5
357.12024	7.9
358.12210	0.6
371.18839	0.5
389.20126	0.6
412.00287	0.3
651.30591	0.3
656.77576	0.4
687.30310	5.3
688.30725	0.9
700.40009	0.3
700.53735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.8
59.01271	0.8
59.55553	0.2
61.98720	1.9
62.55349	0.2
62.65504	0.2
65.00214	0.6
69.31140	2.1
69.53925	0.2
71.01277	0.5
78.95790	1.2
81.03345	3.8
83.01271	1.0
85.02824	0.3
85.06486	0.4
87.00785	0.2
87.04424	0.5
87.99405	0.2
88.98727	0.3
93.03378	0.6
96.95926	0.3
97.06520	0.3
98.20647	0.2
101.02328	0.3
107.01290	0.6
107.04922	0.3
108.04482	1.1
109.02881	0.2
109.06491	2.3
111.04427	3.4
121.02880	0.4
122.03636	1.4
123.04524	0.4
123.08089	0.7
125.02366	4.9
133.02898	0.5
133.06454	0.2
134.03664	7.7
135.04411	0.7
137.02356	1.8
139.03943	0.5
149.02390	0.7
149.06015	2.7
150.05518	1.3
151.00314	1.6
151.07584	27.3
152.00829	0.2
152.07967	1.3
152.99547	0.6
161.02412	0.8
161.09830	0.2
162.03078	0.3
171.10199	0.3
173.04507	0.3
177.05560	1.3
178.02682	5.1
179.03416	0.9
190.09966	0.3
191.05580	1.1
191.07138	0.8
193.05035	15.4
194.05432	1.1
195.06601	100.0
196.06947	5.4
205.08728	0.8
205.12291	0.5
207.10220	0.2
209.11827	0.4
219.06540	0.4
237.07715	0.7
255.23369	0.6
261.30084	0.3
267.17560	0.2
299.01950	0.2
311.16580	0.6
313.07648	0.2
329.17627	12.5
330.18054	1.5
331.19199	4.0
332.19568	0.5
355.10364	0.6
357.11996	5.9
358.12280	0.7
380.18222	0.2
391.22626	0.7
409.23752	0.4
461.45993	0.3
582.65851	0.2
687.30554	3.9
687.45874	0.7
688.30493	0.8
697.10767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48030	0.3
57.03347	1.8
59.01269	1.1
61.98717	0.5
64.10114	0.3
65.00186	1.3
71.01270	0.5
71.62029	0.3
81.03351	7.6
81.08969	0.3
83.01275	3.3
85.02834	0.4
85.06505	0.6
93.03374	0.3
95.04929	0.8
97.02865	0.5
107.01308	1.0
107.04938	0.8
108.02082	0.4
109.02867	0.4
109.06512	1.2
111.04438	1.9
113.02380	0.3
122.03666	1.3
123.04446	27.7
124.01589	0.4
124.04770	1.2
125.02372	17.0
126.02742	0.6
133.02876	0.8
135.04446	0.3
137.02379	0.4
149.02402	2.0
149.06023	1.5
151.00299	3.1
151.07594	15.8
152.07913	0.6
152.99509	0.4
167.03456	100.0
168.03801	4.3
171.10178	0.4
177.01839	0.4
177.05565	0.7
189.12863	0.9
191.03481	1.0
191.05542	0.5
191.07065	0.4
193.05051	11.6
193.08632	2.0
194.05351	0.5
195.06613	61.1
196.06917	3.4
205.08736	1.3
209.04535	1.0
209.11833	0.7
211.06120	15.2
212.06476	0.8
219.06615	0.6
237.07645	0.6
255.23256	0.4
298.28912	0.3
308.55380	0.3
313.14426	0.5
313.18173	10.1
314.18491	1.1
329.08875	9.1
329.17474	1.8
330.09222	0.8
331.19281	0.6
355.10336	0.8
357.12085	2.4
373.11465	3.5
374.11920	0.3
402.13550	0.3
412.91403	0.3
528.16107	0.4
643.27820	1.1
664.43066	0.3
669.29382	1.1
687.30304	3.4
688.30774	0.6
711.62274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60128	0.2
56.81704	0.2
59.01267	2.2
61.98719	23.3
62.56761	0.2
63.14605	0.2
68.97109	0.3
70.02547	0.3
70.70660	0.9
71.01277	2.4
71.04912	1.1
72.01635	0.3
72.99215	0.3
73.02834	0.4
81.03343	1.6
83.04911	0.3
85.02844	1.0
87.00799	0.4
89.02348	1.0
91.01794	3.9
93.03374	0.4
96.95966	0.6
97.02872	1.1
99.00774	0.8
101.02362	1.1
107.08578	4.9
108.02116	0.6
109.02913	0.3
109.06497	5.8
113.02380	0.6
119.04958	0.4
121.02868	0.4
121.06548	0.4
122.03651	3.9
123.08084	3.0
124.82762	0.3
125.02390	0.7
127.07598	1.6
131.04941	0.7
133.02859	0.3
133.06526	4.2
134.03650	1.6
135.04462	5.1
135.08093	0.4
136.05272	0.3
137.02405	1.0
149.04546	0.4
149.06020	1.5
150.06737	1.7
151.07593	100.0
152.07928	4.6
153.05597	0.3
159.08093	0.3
161.02374	0.3
161.04477	0.4
161.09669	0.5
163.07605	0.6
165.09171	0.5
171.10168	0.4
173.04517	0.3
175.04012	0.5
175.07564	0.8
177.05537	28.8
178.02695	2.4
178.05830	1.5
179.03413	0.3
179.10706	0.3
189.09166	0.7
191.03531	0.8
191.05527	1.4
191.07140	2.5
192.07407	0.3
193.05028	4.4
193.08690	0.9
194.05801	1.5
195.06622	15.7
196.06996	0.8
197.11769	2.0
205.08727	2.3
207.06572	0.5
207.10170	0.4
209.11832	2.0
219.06609	0.6
223.06100	0.8
225.11302	0.4
237.07613	0.5
241.46277	0.3
303.19519	0.3
313.18121	0.6
314.18439	0.6
315.18698	0.4
329.17703	3.0
330.18060	0.5
331.19226	2.9
332.19479	0.5
333.19965	0.3
339.10730	0.9
347.18787	2.8
348.19049	0.4
357.12012	4.3
383.09882	2.2
384.10324	0.4
430.11136	1.4
434.13370	0.3
467.19336	25.7
468.19525	3.3
687.30444	87.4
688.30804	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	687.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
59.01259	0.2
60.83461	0.1
63.02289	0.1
64.08913	0.1
65.00192	0.5
69.03355	0.2
73.57401	0.1
75.60275	0.1
79.26709	0.1
81.03352	3.4
82.03701	0.1
82.39474	0.1
83.01274	0.8
85.06042	0.1
85.06474	0.5
87.04424	0.4
95.04954	0.1
98.20577	0.2
105.07031	0.1
107.01273	0.5
107.04977	0.1
108.02074	0.1
109.06500	2.0
111.04430	3.1
121.02917	0.1
122.03651	1.2
123.04449	0.2
123.08098	0.2
125.02372	4.9
126.02718	0.1
127.07610	0.1
133.06560	0.2
138.69379	0.1
149.02402	0.6
151.00313	1.0
151.07596	26.1
152.01109	0.1
152.07935	1.5
153.05533	0.3
161.02353	0.2
162.03203	0.1
163.04005	0.1
166.00380	0.1
167.03465	0.1
177.05533	0.8
191.03645	0.1
191.07141	0.3
195.06615	100.0
196.06953	5.6
216.82236	0.1
219.06610	0.5
229.34679	0.2
237.07661	0.7
249.07518	0.1
329.17551	0.1
339.10989	0.7
347.18771	0.3
349.01077	0.1
357.11899	0.6
372.87271	0.1
687.30328	7.5
688.30542	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	687.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
57.21508	0.1
59.01257	0.5
60.36048	0.1
61.98710	0.2
65.00227	0.5
68.04374	0.1
69.03371	0.1
70.87229	0.3
81.03350	4.1
83.01266	0.7
85.06499	0.6
87.04403	0.4
91.86240	0.1
97.02860	0.1
97.06515	0.2
102.30155	0.1
107.01303	0.5
109.06502	2.2
111.04434	2.9
121.02903	0.2
122.03645	1.2
123.04469	0.2
123.08072	0.3
125.02370	4.5
133.06535	0.3
133.22542	0.1
139.03871	0.2
149.02376	0.5
151.00334	1.1
151.07588	24.1
152.07932	1.1
153.05525	0.2
167.03380	0.1
177.05510	0.9
187.11220	0.7
191.05569	0.3
191.07149	0.6
195.06616	100.0
196.06963	6.0
205.08725	1.2
209.11780	0.2
219.06631	0.4
237.07672	0.7
267.17676	0.2
293.15530	0.2
311.13440	0.1
311.16589	0.8
329.17645	8.3
330.18130	1.1
339.11081	0.2
343.20245	0.1
351.26050	0.1
357.11993	6.7
358.12262	0.7
392.24963	0.1
687.30310	2.0
688.30029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03359	0.9
59.01277	1.7
61.98737	0.7
65.00216	0.5
65.59125	0.3
67.01827	0.3
69.03360	0.5
70.31744	0.2
71.01272	1.3
73.98535	0.3
78.95813	0.3
81.03361	4.1
83.01313	1.0
83.04942	0.7
85.02885	0.6
85.06509	0.4
87.04455	0.5
89.02399	0.3
93.03407	0.4
95.04968	0.5
96.95959	1.0
97.02883	0.9
97.06525	0.7
101.02365	0.5
103.05899	0.3
105.03321	0.2
107.01270	0.4
108.02097	0.4
109.02880	0.3
109.06507	2.8
111.04456	2.9
113.02438	0.4
116.38197	0.2
121.02899	0.2
121.06574	0.2
122.03668	1.2
123.08077	2.0
125.02377	5.4
131.16945	0.2
133.02901	0.6
134.03641	0.4
135.04460	0.4
135.08168	0.2
137.02350	0.5
139.03973	0.4
149.02441	0.4
151.00299	1.2
151.07599	26.3
152.07939	1.1
153.05504	0.4
161.02414	0.9
161.09744	0.4
162.02859	0.3
163.04071	0.3
171.10239	1.7
173.04517	0.5
176.04562	0.3
177.05487	0.9
179.03484	1.2
179.10757	0.3
180.03799	0.3
189.12866	0.6
191.05579	0.5
191.07138	1.6
193.05084	0.7
194.05772	0.9
195.06622	100.0
196.06955	6.2
197.11873	0.5
205.08684	1.4
207.10315	0.6
209.08252	1.7
209.11815	4.8
210.08533	1.0
217.15976	1.1
219.06615	0.7
221.08237	0.3
223.09801	0.8
225.11417	0.4
227.12871	0.7
237.07669	0.8
253.09248	0.5
261.15021	1.7
275.09164	0.3
313.18210	1.5
314.18546	0.4
329.17657	7.9
330.18127	1.2
331.19266	1.6
332.19614	1.2
339.10852	0.3
347.18671	0.6
357.12003	1.5
415.22241	0.3
425.14780	1.6
439.24753	0.7
473.18427	0.3
528.16431	0.3
544.49304	0.3
687.30292	9.5
688.30908	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	687.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14576	0.1
57.03343	0.6
59.01270	0.4
65.00193	0.7
69.03361	0.1
71.04913	0.2
72.99203	0.1
73.50473	0.1
80.02579	0.1
81.03349	4.6
82.03722	0.1
83.01285	0.7
84.03436	0.1
85.06477	0.6
87.04414	0.5
95.01290	0.1
95.04940	0.2
95.87774	0.1
97.02835	0.2
107.01275	0.5
107.04938	0.2
107.08516	0.1
108.02126	0.2
109.02860	0.1
109.06501	2.4
111.04433	3.6
112.04829	0.1
112.68320	0.1
119.55427	0.1
121.02853	0.1
121.06528	0.2
122.03658	1.3
123.04455	0.2
123.08077	2.9
125.02370	5.3
126.02681	0.2
127.07587	0.3
133.06529	0.2
134.03709	0.1
135.04459	0.1
136.05156	0.1
137.02417	0.1
139.03934	0.1
148.01593	0.1
149.02379	0.5
149.06018	0.2
151.00317	1.3
151.07591	28.5
152.01004	0.2
152.07944	1.2
153.05560	0.4
161.09660	0.1
162.03198	0.1
165.09155	0.1
165.60532	0.1
167.03477	0.1
169.98486	0.1
177.05534	0.8
189.05525	0.1
190.02837	0.1
191.07123	2.6
192.07491	0.1
193.05028	0.2
195.06615	100.0
196.06958	5.5
205.08696	2.1
206.09155	0.1
209.08205	0.1
209.11777	0.1
211.06126	0.3
219.06581	0.5
221.08148	0.2
237.07692	0.8
245.12056	0.1
249.07689	0.1
285.18625	0.2
313.18018	0.1
329.17651	24.6
330.17984	2.6
339.11050	0.4
347.18903	0.5
357.07486	0.2
357.11978	3.3
358.12292	0.2
373.11462	0.2
687.30396	1.9
688.30829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.8
59.01261	5.2
61.98719	15.3
62.01426	0.5
69.03347	0.7
71.01271	4.6
71.60797	0.6
73.02845	1.2
75.00796	0.7
76.69032	0.5
81.03358	2.1
85.02862	2.5
87.00787	0.9
89.02345	2.4
91.01789	5.1
95.04939	0.6
96.95969	1.2
97.02870	1.8
99.00793	1.9
101.02312	2.6
107.08561	6.3
108.08936	0.5
109.02879	0.9
109.06509	8.7
113.02370	2.7
122.03648	2.3
125.09634	1.0
127.07558	0.8
131.03444	0.6
133.06522	6.4
134.03708	0.7
135.03482	0.7
135.04405	2.9
140.84758	0.5
149.04515	1.9
149.06036	0.5
150.06766	0.6
151.07588	100.0
152.07930	4.9
153.12758	0.6
159.04527	0.6
161.02431	0.9
161.04486	0.7
161.09686	0.9
163.03978	0.6
163.11266	1.9
165.08891	0.7
171.10155	0.9
173.04506	1.1
177.05533	38.4
178.05862	1.9
178.88908	0.6
179.03374	1.0
179.10754	0.7
181.12291	1.5
187.11198	2.7
189.12874	0.8
191.05586	2.7
191.07156	1.2
193.05040	1.2
193.08679	1.4
194.05809	1.5
195.04802	1.1
195.06607	18.6
196.06975	0.9
197.11736	3.4
198.77803	0.5
199.13400	0.7
205.08665	2.9
207.10229	3.2
209.08371	0.7
209.11790	3.1
219.06654	0.8
225.11246	3.5
235.98322	0.5
237.07721	1.1
241.09839	1.1
243.12454	0.8
253.09258	0.6
264.27197	0.5
267.17679	0.8
282.92130	0.6
311.16608	1.5
313.11087	0.8
313.18176	2.7
315.13470	1.2
325.52335	0.7
329.17667	2.3
331.19135	0.6
333.19803	0.7
339.11151	0.8
347.18863	0.7
357.11932	4.2
383.09894	0.7
413.71332	0.6
467.19342	5.1
468.19632	0.7
687.30573	99.5
688.30914	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	686.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24001	0.6
59.01267	6.8
61.68843	0.6
61.98722	7.8
66.12388	0.5
71.01286	3.7
73.02823	1.1
78.95789	1.0
85.02841	2.0
89.02343	1.1
101.02333	1.4
104.05895	0.6
105.03442	0.6
113.02346	1.2
131.03683	3.1
132.04462	1.8
133.02870	1.5
135.04448	3.5
149.04520	0.7
151.07555	1.3
152.99486	0.8
161.02399	4.2
161.04518	1.4
179.03438	2.5
191.05608	2.2
191.07111	23.0
192.07440	1.6
195.06624	3.7
197.11841	2.2
205.08690	18.0
206.09337	1.8
209.11786	0.6
221.08090	2.9
221.24263	0.6
255.23431	0.9
271.02618	0.8
279.34061	0.6
313.18094	1.1
331.19223	100.0
332.19589	11.8
349.20273	1.8
353.09021	0.7
382.12766	0.6
455.12415	1.5
686.31506	1.0
687.06567	0.7
687.31915	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	686.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
59.01265	1.9
61.98711	0.4
65.00210	0.4
69.03349	0.5
69.47904	0.3
69.48225	2.5
71.01271	2.9
73.02835	0.8
81.03341	1.5
83.01314	0.5
85.02838	1.6
90.41275	0.3
91.53540	0.3
92.04947	0.5
93.03361	0.3
95.01273	0.3
95.04945	0.3
96.95922	0.3
97.02847	0.8
97.06495	0.9
99.00745	0.4
101.02322	1.7
109.06511	1.3
111.04440	1.7
113.02371	1.1
119.73150	0.3
122.03718	0.5
123.08059	2.1
125.02370	2.4
125.09748	0.3
131.03696	4.6
132.04497	4.5
133.02873	1.3
135.04491	0.5
137.04591	0.3
138.60637	0.3
139.03891	0.6
141.96809	0.3
144.04468	0.4
145.06490	0.5
147.08109	1.7
151.00267	0.4
151.03979	0.6
151.07587	13.5
158.06033	0.6
161.02408	3.7
161.04492	2.4
161.09683	1.2
162.02740	0.5
163.11258	1.9
169.03516	0.3
174.05576	0.5
176.04655	0.5
177.05470	0.5
179.03445	2.7
179.14758	0.2
180.03831	0.6
189.12862	0.3
191.05693	0.7
191.07111	17.9
192.07471	1.2
193.05060	1.0
193.08661	0.3
194.05843	1.8
195.06604	41.1
205.08687	13.8
206.09061	1.3
209.08167	3.4
210.08479	1.6
221.08104	1.6
225.92014	0.3
237.07645	0.4
269.19229	0.6
287.20282	0.4
294.09818	1.7
299.02115	0.3
313.18066	1.0
314.18460	0.5
329.13910	0.6
329.17645	7.7
331.19220	100.0
332.15512	0.6
332.19540	10.8
349.20258	3.4
350.20544	0.5
357.11957	0.9
439.24738	0.6
546.44208	0.4
561.31519	0.4
643.31293	1.2
660.73553	0.4
687.30286	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	685.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
59.01270	2.7
61.31755	0.3
61.98701	1.2
69.73647	2.0
69.74084	0.5
71.01264	1.5
73.02829	0.4
75.00751	0.4
75.06751	0.3
75.10092	0.3
78.95798	0.6
83.04910	0.4
85.02832	1.5
87.00757	1.5
89.02325	1.0
93.03369	0.6
96.95919	3.1
97.06471	1.1
99.00741	0.3
101.02318	0.9
106.03978	1.1
111.00783	0.4
111.04424	0.6
111.08108	0.4
113.05952	0.3
113.09592	0.4
114.24263	0.3
115.75628	0.4
123.08044	1.6
133.02861	1.6
134.03604	0.4
135.04433	2.0
135.08070	0.5
135.42586	0.4
141.09138	0.4
149.02353	0.7
149.05986	1.9
150.06810	33.5
151.00247	0.5
151.07155	1.8
152.01073	0.7
161.02388	3.5
162.06812	1.1
163.07613	6.5
164.08383	5.4
173.04475	0.6
176.08340	0.6
177.01921	0.6
177.09163	0.6
178.09923	1.6
179.03444	1.4
179.10745	17.1
180.11086	0.9
187.09688	0.5
191.05634	2.5
193.05051	0.4
195.06555	1.3
220.45784	0.4
229.10738	1.0
255.23201	0.6
261.18591	0.4
292.20508	0.6
299.02051	1.0
300.02451	0.4
320.19907	2.0
321.20337	0.5
335.22348	1.4
341.23285	0.9
343.21344	4.2
344.21735	0.5
353.08899	0.5
364.22583	2.2
391.22775	0.4
393.26303	0.5
441.30057	0.9
459.31351	0.9
460.31873	0.4
462.29831	2.3
476.31473	0.5
477.32288	7.4
478.32635	1.4
504.31201	1.1
505.31866	2.1
522.32104	2.6
523.32867	26.0
524.33246	4.9
573.09058	0.4
685.38177	100.0
686.38501	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	685.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	6.9
61.98711	1.0
69.03347	1.2
70.50041	0.6
70.50368	2.6
71.01266	1.1
75.82199	0.5
78.95818	0.8
81.03362	0.8
83.01276	0.9
85.02833	1.2
87.00824	0.6
95.01243	0.7
97.02859	31.1
97.06503	1.2
98.03235	0.7
99.04442	0.8
109.02876	2.2
119.68605	0.6
121.06496	0.8
122.03634	2.2
123.08109	1.2
127.07580	10.9
133.10245	0.7
135.04472	1.0
147.08028	0.7
161.09590	1.5
163.11111	1.1
165.05493	1.1
165.09200	1.4
173.09673	0.9
179.10718	1.0
187.11186	1.5
189.12836	15.4
190.13094	0.7
191.05609	0.8
191.07085	3.9
203.14433	3.6
205.08707	13.7
206.08890	0.7
207.10242	4.5
215.14502	0.7
217.08395	0.9
221.15477	1.4
229.15753	0.8
245.07904	2.1
246.08658	0.9
269.19202	8.3
271.16980	0.7
279.23477	0.9
283.17105	5.0
284.28976	0.8
287.20221	1.6
295.16989	1.1
304.52292	0.6
313.18182	43.2
314.18387	4.4
331.19241	37.2
332.19531	4.2
353.17410	12.1
354.17944	0.9
406.59155	0.6
481.25543	0.7
556.54248	0.6
685.37384	100.0
686.26044	1.3
686.37762	21.4
695.70300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78981	0.2
55.01773	1.4
57.03344	1.6
58.00481	0.6
59.01268	36.6
60.01607	0.4
61.98728	0.4
67.01781	0.2
68.99692	0.2
69.03352	1.5
69.76802	0.2
71.01273	17.8
72.01603	0.2
72.92725	0.2
72.99210	1.3
73.02840	6.9
75.00780	0.6
78.95798	0.3
81.05706	0.2
83.01284	3.8
85.02849	12.2
86.00006	0.8
86.03187	0.4
87.00786	1.9
88.98737	0.3
89.02345	2.6
93.03375	1.4
95.01283	2.0
96.95910	1.1
97.02863	1.6
97.06542	0.2
98.19783	0.5
99.00784	2.6
101.02354	14.1
102.02731	0.3
109.02859	1.2
111.00824	0.6
111.04446	0.3
112.01591	0.7
113.02361	10.4
115.03877	0.2
117.01876	0.8
117.03398	0.2
119.03439	0.8
119.04980	0.8
120.99584	0.5
123.08063	0.4
125.02380	0.9
129.01859	0.4
133.02898	0.4
133.04987	0.3
134.03673	5.0
135.04419	0.7
137.02354	1.3
139.03961	0.3
141.01851	0.3
143.03471	1.3
145.02899	0.5
149.06026	1.7
150.06836	0.4
152.01118	0.3
152.99547	0.2
153.01877	1.5
159.02925	1.1
161.02454	0.4
161.04524	2.8
163.03992	1.1
173.04575	0.7
175.03979	0.2
177.01909	1.1
178.02701	3.5
179.03409	0.4
179.05490	0.2
179.10802	0.3
189.01990	0.4
191.05588	3.4
191.07083	0.2
192.06108	0.2
193.05043	12.1
194.05385	0.9
195.06750	0.3
201.04053	0.3
205.08774	0.6
211.07788	0.3
255.03114	0.2
261.06152	0.2
273.22104	0.3
275.23853	1.1
319.22943	0.7
329.17621	2.6
330.17957	0.3
331.19116	0.4
347.18677	0.9
437.29352	0.6
463.27124	4.7
464.27457	0.6
481.28210	13.0
482.28543	1.9
487.27554	0.3
505.28204	0.6
523.29285	100.0
524.29626	17.2
540.27661	0.2
547.29443	1.0
685.28717	1.8
685.40448	1.0
686.29950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	4.5
59.11401	0.2
61.98721	2.2
67.80464	0.3
69.03358	0.4
71.01273	5.5
71.60596	0.6
72.99217	0.5
73.02843	0.9
73.75414	0.3
75.00793	0.4
78.95793	0.8
80.04931	0.3
83.01258	0.4
83.04910	0.4
85.02850	1.0
87.00780	0.4
89.02342	4.0
89.03884	0.3
93.03362	1.4
96.95910	2.0
97.06509	0.3
99.00790	0.7
101.02348	4.3
102.92884	0.3
107.04959	0.5
108.02052	0.4
111.00819	0.3
113.02360	1.2
116.92713	0.3
117.03367	1.8
118.01022	0.3
119.03425	0.9
119.04959	1.0
121.02890	1.4
123.04460	0.6
125.02362	0.3
131.03441	0.7
132.02122	3.1
133.02913	1.5
133.05000	0.6
134.03671	72.5
135.03920	2.4
135.08051	0.3
137.02383	3.8
139.03935	1.2
145.02878	0.6
148.05196	0.3
149.06030	17.8
150.03209	0.5
150.06630	0.6
151.06071	3.8
151.07442	0.5
153.05499	0.7
154.05922	0.4
160.01613	20.8
161.02316	1.5
163.03951	0.9
165.05536	0.3
173.04492	0.9
175.03975	26.8
176.04272	1.4
177.01817	0.4
178.02686	15.6
179.03400	1.3
183.14012	0.3
191.05562	2.9
193.05046	100.0
194.05362	4.8
195.06633	0.9
201.04021	0.7
209.08215	0.3
213.14995	0.9
225.11400	0.4
255.23276	0.4
309.09851	1.2
327.10941	67.4
328.11337	5.6
329.17648	0.6
331.19113	0.9
337.09344	0.7
353.14462	0.4
357.11996	0.3
523.25659	2.4
551.25208	5.7
552.25903	0.7
593.03210	0.3
685.37549	1.3
686.37183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	4.5
59.11401	0.2
61.98721	2.2
67.80464	0.3
69.03358	0.4
71.01273	5.5
71.60596	0.6
72.99217	0.5
73.02843	0.9
73.75414	0.3
75.00793	0.4
78.95793	0.8
80.04931	0.3
83.01258	0.4
83.04910	0.4
85.02850	1.0
87.00780	0.4
89.02342	4.0
89.03884	0.3
93.03362	1.4
96.95910	2.0
97.06509	0.3
99.00790	0.7
101.02348	4.3
102.92884	0.3
107.04959	0.5
108.02052	0.4
111.00819	0.3
113.02360	1.2
116.92713	0.3
117.03367	1.8
118.01022	0.3
119.03425	0.9
119.04959	1.0
121.02890	1.4
123.04460	0.6
125.02362	0.3
131.03441	0.7
132.02122	3.1
133.02913	1.5
133.05000	0.6
134.03671	72.5
135.03920	2.4
135.08051	0.3
137.02383	3.8
139.03935	1.2
145.02878	0.6
148.05196	0.3
149.06030	17.8
150.03209	0.5
150.06630	0.6
151.06071	3.8
151.07442	0.5
153.05499	0.7
154.05922	0.4
160.01613	20.8
161.02316	1.5
163.03951	0.9
165.05536	0.3
173.04492	0.9
175.03975	26.8
176.04272	1.4
177.01817	0.4
178.02686	15.6
179.03400	1.3
183.14012	0.3
191.05562	2.9
193.05046	100.0
194.05362	4.8
195.06633	0.9
201.04021	0.7
209.08215	0.3
213.14995	0.9
225.11400	0.4
255.23276	0.4
309.09851	1.2
327.10941	67.4
328.11337	5.6
329.17648	0.6
331.19113	0.9
337.09344	0.7
353.14462	0.4
357.11996	0.3
523.25659	2.4
551.25208	5.7
552.25903	0.7
593.03210	0.3
685.37549	1.3
686.37183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85875	0.6
58.00489	3.5
59.01264	72.8
59.38899	0.7
61.98706	1.0
64.57248	0.8
69.03336	1.3
70.01399	0.6
71.01269	63.7
72.01627	0.9
72.99187	4.0
73.02838	22.1
78.95806	1.6
81.03345	1.5
83.01269	2.1
85.02842	8.7
87.00781	3.1
89.02338	100.0
90.02681	1.4
93.03362	2.8
95.01275	1.6
96.95916	3.7
97.02847	2.0
99.00784	38.6
101.02345	46.2
102.02706	0.8
106.04015	1.9
107.04938	1.5
108.02059	1.0
109.02848	1.9
111.04464	0.8
113.02357	9.5
115.03902	1.6
119.03420	3.6
123.08053	1.0
125.02376	6.2
127.03945	1.0
131.03426	17.4
133.02878	4.3
133.68596	0.8
134.03641	1.5
135.04451	14.5
136.04733	0.9
137.02354	1.3
143.03426	2.7
149.04500	73.3
150.04822	1.3
152.01106	0.9
152.99550	1.4
155.03445	1.1
159.02831	0.9
161.02406	11.5
161.04468	4.3
162.02818	1.0
163.03943	0.9
164.58867	0.7
165.05554	1.3
168.35507	0.6
173.04475	3.6
174.88956	1.2
177.01906	1.4
178.02661	0.8
179.03448	7.3
191.05585	33.9
192.06024	0.9
193.04956	1.7
195.06642	1.4
221.06726	5.0
222.17149	0.7
224.62807	0.7
233.06773	1.0
241.12206	0.8
242.02249	1.0
243.02925	1.1
251.07726	7.7
264.26260	0.9
269.11920	3.2
270.01758	1.3
271.02460	4.6
275.07870	0.9
287.12949	2.0
293.08728	3.4
299.02029	7.8
300.02591	1.6
311.09949	5.1
313.03561	6.1
331.04556	4.7
331.11880	3.7
331.19125	1.4
339.05206	1.2
353.08688	5.3
449.25525	1.0
456.74057	0.7
505.17267	1.8
581.29987	7.0
582.30286	1.2
588.90704	0.9
603.78564	0.8
623.23083	1.0
625.28802	81.9
626.29132	13.0
684.78900	1.1
685.27893	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	685.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18866	0.6
57.03342	0.9
58.00479	2.2
59.01266	60.9
61.98726	3.1
69.03344	2.4
69.36154	1.7
69.36578	4.4
71.01271	47.9
72.99203	3.2
73.02836	13.7
75.00763	1.6
81.03368	1.1
83.01268	1.8
85.02849	7.1
87.00803	1.1
89.02340	91.0
90.02701	1.1
95.01285	1.4
97.02857	16.1
97.06490	1.0
98.20497	1.3
99.00779	24.8
99.04399	0.8
101.02348	37.0
102.59284	0.6
109.02853	0.9
113.02354	9.2
115.03918	2.2
119.03412	1.7
122.03650	1.7
123.04437	0.7
125.02375	22.5
126.02657	0.9
127.07572	5.2
131.03429	15.6
134.03690	1.4
135.08122	1.0
143.03494	4.4
149.04500	68.7
150.04843	1.2
153.97571	0.8
161.04585	3.6
161.09676	0.9
163.11082	0.8
165.05411	0.8
165.09169	0.9
189.12816	17.6
191.03688	1.7
191.05576	13.1
191.07159	3.2
193.05075	3.8
193.08647	1.6
203.14340	1.9
205.08705	12.7
207.10251	2.9
212.99692	0.6
221.06577	5.4
221.15479	0.8
251.07764	2.7
269.19131	4.5
275.07794	7.6
283.17081	2.3
287.20239	1.8
293.08887	13.6
294.09137	0.9
295.16916	0.7
311.09961	3.7
313.18176	100.0
314.18527	8.5
329.17413	1.3
331.19220	90.0
332.19537	8.0
345.20807	0.9
355.19205	1.3
367.19269	1.0
373.20224	4.0
395.32553	0.7
403.21381	1.9
415.21011	0.9
440.32291	0.7
647.37958	0.9
684.82434	1.5
685.30731	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	685.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.9
58.00478	1.7
59.01266	58.0
60.01575	1.1
61.98689	0.9
69.03330	1.8
69.33224	3.0
69.33655	4.8
71.01273	54.4
72.01611	1.4
72.99210	4.9
73.02838	16.1
78.95791	10.7
81.03320	0.9
81.86736	0.6
83.01276	2.4
83.04886	0.7
85.02846	8.9
87.00754	3.5
87.59474	0.7
89.02342	71.5
90.02684	1.0
93.03354	5.5
94.03733	0.8
95.01249	0.8
96.95914	1.6
96.96859	7.2
97.02818	1.9
97.06479	0.9
98.20547	1.5
99.00780	31.1
99.04419	0.8
101.02350	33.9
102.02644	0.8
108.92401	0.6
109.02874	1.5
111.00779	0.9
111.04406	1.6
113.02367	9.3
115.03920	1.0
116.32509	0.7
119.03392	3.5
119.04913	4.8
120.05201	0.7
121.02876	1.0
125.02369	5.7
129.01839	0.7
131.03426	12.7
134.03671	1.6
135.04402	2.4
137.02376	1.5
137.09668	1.1
143.03401	1.9
145.02960	1.8
149.04507	47.0
152.01122	1.3
155.03481	1.1
161.02299	1.1
161.04486	3.7
163.03979	5.0
173.04536	5.2
175.03973	0.8
179.03426	1.2
185.71204	0.8
191.05602	28.7
191.07146	4.2
192.05873	1.8
193.04901	1.4
195.06445	0.9
205.08636	3.0
207.10292	1.7
209.08058	1.2
211.07669	1.0
221.06602	3.5
233.06947	1.1
233.09489	8.4
234.09886	2.2
240.26173	0.8
251.07700	5.6
289.53479	0.8
293.08899	4.0
302.21317	0.8
311.09930	3.3
313.18143	13.4
314.18567	1.5
410.10538	1.1
493.24533	2.0
581.30353	1.1
625.28809	100.0
626.29138	18.4
637.33459	0.9
641.24847	0.9
685.25922	3.9
685.40234	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	685.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48760	0.1
57.03344	0.2
59.01266	1.3
61.98719	3.3
63.02272	0.6
65.00191	1.1
71.01278	0.6
71.57162	0.1
73.02843	0.1
75.00777	0.3
79.05449	0.1
81.03338	1.3
83.01274	0.7
85.02857	0.5
87.00770	0.1
88.98703	0.1
93.03364	0.3
96.95929	0.4
97.02880	0.2
99.04453	0.2
101.02374	0.1
103.05493	0.2
105.03365	1.3
107.01283	1.1
109.06500	0.4
111.04420	0.5
113.02384	0.3
119.04940	1.4
121.02863	0.4
122.03676	0.2
123.04462	1.1
125.02378	0.7
127.07599	0.4
132.02090	0.3
133.02901	0.2
134.03679	0.1
135.04434	0.4
137.02463	0.2
147.04454	5.4
147.08112	0.7
148.04861	0.2
149.02388	4.3
151.00317	0.4
151.03967	0.1
151.07587	3.1
157.82529	0.1
159.04536	0.2
161.02411	0.6
161.05968	0.2
162.03192	1.1
163.03967	0.7
173.04472	0.2
173.88202	0.1
174.03207	0.2
175.03976	0.6
176.01208	0.3
177.05524	0.3
179.03439	0.4
187.03987	0.4
190.02711	3.1
191.03481	100.0
191.05374	4.6
191.07133	3.2
192.03824	4.9
192.05704	0.2
193.05113	0.6
195.06606	15.1
196.06982	0.7
201.01857	0.1
203.03430	1.0
204.04343	1.0
205.05077	1.9
205.08664	0.8
209.08249	0.2
209.11816	0.2
215.03423	0.3
217.04977	0.2
221.08325	0.2
223.13373	0.2
230.02162	0.2
231.02995	1.0
233.04544	1.4
234.05037	0.2
236.03268	0.5
245.04655	0.1
249.04097	0.1
271.02484	0.1
327.15839	0.7
329.17609	0.3
330.17926	0.3
331.19226	5.5
332.19543	0.5
334.07132	0.2
335.07770	0.8
348.19080	0.2
349.20224	0.3
353.08841	12.8
354.09247	0.9
357.11725	0.2
377.08987	0.3
463.16220	15.8
464.16632	1.9
685.28748	41.5
686.29047	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	685.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42128	0.4
59.01260	1.7
60.99177	1.4
66.94638	0.3
67.01789	3.2
68.44935	0.4
69.03325	0.7
69.05074	0.4
69.69875	1.3
69.70303	1.5
71.01267	1.1
73.02857	0.4
73.74453	0.4
78.95808	0.6
85.02843	4.4
87.00775	5.4
92.69049	0.4
93.03359	21.3
94.03679	0.6
99.00788	0.4
111.04411	3.2
117.03290	0.3
119.04936	5.5
127.03947	1.0
145.02892	1.3
152.33148	0.4
155.03368	0.6
163.03955	6.5
173.04527	6.4
174.04793	0.4
191.05585	100.0
192.05939	3.5
337.09357	32.4
338.09634	3.3
407.28577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41608	0.3
57.03376	0.6
59.01266	4.5
60.69546	0.4
61.98757	0.8
65.00251	0.8
69.32662	3.6
71.01321	1.4
71.04958	1.1
72.99226	0.6
73.02890	0.8
75.00769	2.2
78.95879	0.8
81.03415	0.4
83.01305	0.8
85.02847	2.2
86.73846	0.4
87.00822	0.9
88.98746	1.3
89.02364	1.0
92.98492	0.4
93.03398	0.9
94.79111	0.4
96.95918	2.9
101.02418	0.8
105.03409	0.8
106.04202	0.4
107.01334	0.6
108.04533	1.6
109.02898	0.5
109.06557	0.7
111.00790	0.7
111.04427	0.5
113.02346	1.9
119.04987	1.1
121.02866	1.8
123.04481	1.4
123.08085	5.6
123.08927	0.4
127.07664	0.4
133.02888	2.7
134.03667	47.8
135.04135	1.4
137.02370	8.8
138.02794	0.5
139.03928	2.7
147.04460	4.9
149.02368	3.3
149.06024	14.8
149.07195	0.8
150.03218	1.1
150.05441	0.5
150.06496	0.8
160.01645	0.5
161.02415	1.4
161.09674	0.6
162.03195	0.6
163.04037	0.7
173.04573	1.0
175.04010	1.0
177.01892	1.6
178.02679	31.7
179.03072	2.0
190.02660	1.7
191.03491	69.7
191.05524	9.3
191.07150	4.2
192.03841	3.2
192.05598	0.5
193.05035	100.0
194.05402	4.9
195.06680	0.6
197.11717	0.5
203.03424	1.0
205.05078	1.6
205.08681	4.2
207.10355	0.5
221.08102	0.7
231.03015	0.7
233.04565	1.3
285.18704	0.7
329.17639	31.7
330.17892	3.2
331.19302	2.4
334.06763	0.4
335.07663	0.5
347.18655	3.6
353.04721	0.7
353.08847	12.8
354.09018	1.1
355.07489	2.1
355.09735	2.0
437.18015	1.0
442.33817	0.4
463.16199	10.3
464.16278	1.1
467.24652	0.5
685.28052	30.0
686.28937	6.1
696.43219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.9
59.01258	3.1
61.98712	7.4
69.03319	0.8
71.01263	4.7
71.04908	3.9
71.56179	1.1
73.02813	1.0
75.65624	0.6
83.01285	0.8
83.04897	0.8
85.02374	0.6
85.02825	4.1
88.98667	0.9
93.03364	1.6
99.00755	0.8
101.02342	2.9
107.04924	0.7
113.02374	3.3
123.08073	19.9
131.03703	6.0
132.04468	5.9
133.02896	3.5
135.04448	4.6
137.02359	0.8
142.57085	0.6
147.04442	0.6
151.04028	0.6
161.02393	5.9
161.04491	7.0
161.09608	1.5
162.02715	1.0
173.04524	0.7
176.01126	0.9
177.01949	1.0
179.03430	2.5
189.09113	1.6
191.03879	0.5
191.05536	3.1
191.07091	15.6
192.07477	1.2
195.06653	1.7
205.08681	14.5
206.09067	0.9
207.10216	0.9
219.13939	0.8
221.08202	1.7
245.11841	1.8
285.18655	2.4
294.09891	5.6
300.64536	0.8
303.19540	0.9
329.17651	100.0
330.18002	8.8
347.18750	12.3
348.19119	1.3
501.52402	0.7
621.25928	2.0
683.81781	1.1
684.37939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39877	0.4
56.48572	0.4
57.03338	4.5
58.00465	0.5
59.01267	3.3
61.98716	2.2
69.03349	0.9
70.96333	0.9
71.01260	3.6
73.02853	1.0
73.09794	0.4
73.16190	0.4
73.78218	0.4
78.95784	0.4
80.02589	0.6
83.04924	0.7
85.02853	1.6
87.00784	1.5
89.02345	1.6
95.04939	1.5
97.06492	12.7
101.02351	4.0
106.51844	0.5
113.02358	1.9
123.08089	7.4
125.09648	73.7
126.09997	2.9
143.10759	0.5
145.05022	1.4
161.04486	1.6
169.08656	1.7
171.65532	0.3
187.09731	30.5
188.10074	1.1
191.05629	0.8
235.08200	2.7
249.46997	0.3
253.09367	2.0
255.23389	1.1
277.21786	40.0
278.22137	3.8
405.17752	3.9
406.18130	0.5
423.18845	3.9
424.19608	0.5
502.01599	0.4
548.63562	0.4
591.22656	0.4
651.24890	3.1
652.24860	1.3
683.40216	100.0
684.29419	0.7
684.40576	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	683.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51659	0.6
57.98062	0.5
59.01266	2.7
69.32420	2.4
69.32849	3.1
70.89853	0.5
71.01290	1.4
89.02356	0.7
95.04934	0.5
96.95903	0.6
101.02345	0.5
105.68843	0.5
121.91086	0.6
137.09659	55.4
138.10030	3.0
149.42339	0.5
161.02461	0.6
171.10260	2.1
191.05656	1.8
205.16023	3.6
207.17531	40.1
208.17873	3.1
251.16568	100.0
252.16890	9.6
255.23376	1.0
265.93683	0.6
277.21790	1.4
279.23590	0.6
311.60965	0.5
331.19205	1.1
332.19705	1.2
349.18475	0.8
350.18967	1.2
387.63519	0.5
447.25052	0.7
631.49683	0.6
683.39063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05221	13.2
62.66808	14.5
69.95264	89.1
78.95794	32.5
83.59979	14.3
92.65672	15.6
93.65030	16.4
98.20437	19.8
109.78273	14.5
110.98418	19.4
116.76170	13.9
127.92032	14.2
172.89703	14.9
219.92191	17.9
255.23267	60.1
277.21875	100.0
278.21964	16.6
306.38287	17.7
433.92661	15.1
684.39136	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02522	0.3
57.03337	4.2
59.01267	5.2
61.98722	0.4
63.28619	0.3
64.29829	0.3
69.03345	0.8
71.01276	5.3
71.61120	0.4
71.61520	0.6
73.02843	0.6
78.95817	0.6
80.02559	0.4
83.01290	0.5
83.04887	0.9
85.02838	0.8
87.00804	0.5
89.02346	4.1
92.95539	0.4
95.04960	1.2
97.06497	13.3
97.07115	0.8
101.02341	3.1
111.32801	0.4
113.02380	2.1
113.31174	0.4
119.03419	0.9
123.08081	6.2
125.02337	0.4
125.09650	99.1
126.09982	4.5
140.86130	0.4
143.03441	0.4
143.10725	1.6
145.71422	0.3
147.62804	0.4
161.04530	0.9
169.08643	2.2
179.05566	0.7
187.09734	73.3
188.10097	3.5
191.05537	0.6
201.11209	0.5
201.14977	0.4
211.09767	1.0
226.78233	0.4
229.10840	0.5
253.09340	1.9
254.09573	0.5
255.23369	1.6
261.13531	1.4
277.21799	15.3
278.22256	1.5
364.96362	0.4
405.17697	4.3
423.18826	13.4
424.19302	1.7
476.11075	0.4
656.42670	0.4
683.40259	100.0
684.40637	21.2
702.00037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74489	0.4
55.01760	0.8
55.80127	0.4
57.03330	1.3
59.01268	3.3
68.03895	0.4
68.99722	0.4
69.03339	1.1
71.01279	3.7
71.61047	0.7
72.99200	37.2
73.02830	0.9
73.99520	0.4
75.00779	0.5
78.95810	2.5
83.01271	0.7
85.02846	3.4
86.81016	0.5
87.00776	0.6
89.02353	1.3
93.03349	1.9
95.01292	0.7
96.95919	2.7
97.02866	1.1
98.95507	0.7
99.00770	1.7
101.02369	1.9
106.04165	0.7
107.04992	0.4
109.02886	1.8
111.00833	0.4
111.05500	0.4
113.02361	5.5
116.92755	0.6
117.03350	0.7
119.04964	1.6
121.02891	2.4
123.04453	1.9
131.03410	1.0
132.02107	0.7
133.02858	3.0
134.03670	92.5
135.04480	26.6
136.01579	1.4
136.04797	1.6
137.02382	11.1
138.02689	0.6
139.03951	4.0
145.79990	0.4
146.03629	0.5
147.04445	1.0
148.05260	0.5
149.06027	37.9
150.03191	1.1
150.06377	1.3
151.03947	1.2
153.01881	2.6
153.05519	3.7
160.01593	3.1
161.02425	2.8
161.04553	0.4
162.03026	0.7
163.03986	1.1
165.12801	0.9
173.04678	0.7
173.05907	0.5
175.03963	6.1
176.04485	0.5
177.01849	0.6
177.05492	0.6
178.02681	40.8
179.03464	21.9
180.03770	1.1
183.13875	7.5
184.14180	0.5
190.06384	0.5
191.05594	5.6
191.07126	0.8
192.04285	2.3
192.05836	0.6
193.05042	100.0
194.05376	4.4
195.13898	3.0
205.08749	0.8
210.12898	0.4
213.14954	12.6
214.15355	1.1
227.12943	1.0
235.06148	0.8
249.07774	1.1
293.06836	0.6
307.08270	2.2
308.08908	0.5
315.11026	0.6
331.19223	1.6
337.09421	2.4
341.08929	0.9
352.08096	0.8
353.08823	1.4
355.10501	1.9
411.09213	0.5
448.28009	0.4
451.12863	0.5
455.11972	2.4
456.12537	0.6
469.13614	25.9
470.13864	2.1
473.13013	2.8
487.14713	26.7
488.15054	3.0
507.15164	0.5
637.34491	0.5
682.82043	1.3
683.29340	80.0
684.29510	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	683.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03361	0.2
58.00465	0.2
59.01265	3.6
60.32920	0.2
63.02312	0.6
64.99913	0.3
65.00186	1.0
67.01792	0.3
68.14603	0.2
69.03359	0.5
71.01267	3.7
71.01601	0.3
71.04916	0.2
71.37234	0.4
72.99219	0.6
73.02842	0.5
75.00789	0.4
79.05429	0.2
81.03348	1.0
83.01262	1.0
85.02837	3.4
86.03211	0.2
87.00792	0.6
89.02345	1.5
90.34953	0.2
93.03369	0.3
95.01321	0.5
96.95977	0.2
97.02881	0.8
98.03198	0.2
99.00814	0.9
101.02376	0.8
103.05466	0.4
105.03355	1.8
107.01308	1.1
111.00854	0.6
113.02357	1.7
114.02708	0.3
117.29835	0.2
119.04968	0.8
121.02885	0.5
123.04432	1.6
123.08064	1.5
125.02391	0.3
127.03944	0.4
131.03435	0.5
132.02094	0.3
135.04469	0.5
139.00323	0.4
143.03445	0.3
147.04451	6.1
149.02377	4.5
151.00302	0.3
157.01361	0.2
161.02406	0.5
162.03200	0.9
163.03951	0.8
166.50581	0.2
173.04575	0.4
175.03981	0.6
176.01132	0.4
190.02692	2.8
191.03474	100.0
191.05446	6.0
192.03801	5.0
192.05722	0.3
203.03465	1.2
204.04247	0.5
205.05064	1.7
205.08710	0.9
215.03503	0.5
230.02205	0.3
231.02972	0.8
233.04576	1.4
236.03229	0.4
251.56104	0.2
329.17630	9.5
330.17795	1.0
335.07770	0.7
353.08829	15.6
354.09210	1.3
377.08896	0.3
384.68536	0.2
397.09616	0.3
397.20389	1.2
397.70615	2.1
398.20831	0.7
463.16205	13.2
464.16495	1.9
487.34418	0.7
488.34708	0.9
543.76331	0.7
560.19208	0.4
569.20758	0.2
609.29089	0.3
609.78497	1.7
610.28882	0.7
630.78870	1.6
631.29144	0.7
631.79175	0.3
639.32904	0.7
682.31097	0.3
682.81616	13.2
683.27014	40.4
683.81323	1.5
684.27527	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	683.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18801	0.9
59.01263	13.4
61.98706	1.9
65.00217	1.7
76.97540	0.9
78.95796	1.3
83.01303	1.0
83.04948	0.8
85.02847	1.2
91.53841	0.8
95.01281	1.1
96.95911	4.9
98.20543	2.5
107.01283	3.0
123.00763	1.6
124.01566	3.7
125.02379	2.0
128.02840	0.8
128.21812	0.9
133.02852	3.3
135.04460	2.0
137.02350	1.1
147.04491	1.1
150.06398	1.0
151.00322	10.4
152.01091	6.6
158.03638	1.1
161.02396	7.3
164.01073	2.8
169.01329	1.4
178.99831	6.1
179.03522	1.4
189.01949	1.2
189.05525	1.1
191.05608	3.0
192.00630	2.1
193.01329	1.2
194.01810	0.9
199.04022	1.6
203.03505	1.1
214.02728	2.9
215.03496	1.5
216.04262	2.8
217.04970	1.4
227.03523	4.9
228.04015	1.0
241.01395	2.5
242.02274	7.5
243.02982	4.2
244.03716	4.6
245.00951	3.8
245.04504	1.2
246.01546	1.3
255.03111	5.1
256.03769	1.1
257.04562	1.4
270.01837	10.9
271.02524	17.3
271.19568	0.9
272.03320	22.7
273.03955	3.9
298.01279	11.1
299.02014	46.4
300.02515	4.8
313.03687	1.2
313.17929	0.9
315.43701	0.8
316.02328	17.3
317.03067	6.1
318.03302	0.9
352.07660	0.9
419.27261	1.1
433.08472	1.0
435.09509	1.8
461.07385	8.9
462.07730	2.0
479.08426	38.7
480.08618	4.1
614.98700	1.0
639.24744	1.8
683.27234	100.0
684.27570	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	683.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01123	0.5
59.01263	3.1
61.98705	1.7
63.02276	1.4
65.00188	1.2
65.48394	0.5
67.55161	0.5
71.01265	1.1
75.06760	0.4
78.95793	0.8
83.01263	2.3
85.02843	1.0
87.98384	0.5
93.03326	1.2
95.01247	0.5
96.95902	1.4
107.01294	3.5
108.02081	0.5
109.02869	0.9
113.03333	0.4
121.02834	0.5
123.04411	0.5
124.01579	3.5
125.02383	2.4
133.02881	1.0
134.03621	0.5
135.04462	1.2
137.02370	0.7
141.01991	0.5
145.02847	0.5
146.03659	0.5
148.35689	0.4
149.02431	0.5
150.06728	1.0
150.37022	0.4
151.00308	13.1
152.01088	7.0
153.01831	1.4
159.04422	0.9
161.02371	3.2
162.02650	0.5
163.00327	1.0
163.03960	0.8
163.07533	0.5
164.01073	3.4
169.01392	1.1
171.04489	1.1
172.05161	0.7
173.04514	0.7
174.03177	1.2
175.03906	0.9
177.01865	2.0
178.99808	7.0
183.04408	0.7
186.03148	0.9
187.03859	0.9
188.04721	0.7
189.01834	1.4
190.02626	0.5
191.03680	0.5
191.05574	2.5
192.00600	2.6
192.04167	1.3
193.01372	1.2
193.05048	0.6
198.03145	0.5
199.04016	3.2
202.02687	0.6
203.03493	1.0
205.01366	0.9
206.02116	0.5
207.06578	1.6
211.03923	0.8
214.02701	2.6
215.03435	2.1
216.04216	3.1
217.04930	0.9
226.02679	0.5
227.03513	5.3
228.04048	1.1
229.01347	0.8
229.04973	0.7
231.02936	0.6
241.01428	3.6
242.02179	7.2
243.03003	5.6
244.03726	4.1
245.00958	3.1
245.04663	2.3
246.01640	0.7
253.01457	0.5
255.03043	5.5
256.03482	0.7
257.04633	1.2
270.01749	11.2
271.02521	20.0
272.03293	26.5
273.03879	5.6
281.01044	0.6
282.01849	0.7
298.01263	12.3
299.02026	56.3
300.02536	4.6
301.03909	0.8
316.02286	19.5
317.02954	8.6
318.03329	0.5
319.22504	0.5
326.32120	0.5
331.19312	0.6
341.02972	1.2
375.56448	0.5
418.26480	0.5
423.60843	0.5
433.07608	0.7
435.09360	1.7
459.21695	0.7
461.07388	9.0
462.07507	1.0
479.08414	44.8
479.37451	1.7
480.08835	5.4
487.21417	0.6
503.20926	0.9
665.26447	1.2
683.27228	100.0
684.27496	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	683.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44383	0.3
58.00474	1.0
59.01266	27.6
61.12312	0.4
67.38110	0.4
69.71579	0.4
71.01270	23.5
71.61656	0.6
72.13546	0.4
72.99197	1.4
75.00763	0.5
80.66331	0.4
85.02844	3.5
87.00748	1.2
89.02340	30.5
90.02652	0.7
91.06409	0.5
95.01294	1.6
99.90150	0.4
101.02349	11.7
113.02360	9.4
117.72255	0.4
119.03421	11.0
131.03459	1.1
143.03468	2.4
149.04514	1.0
155.03424	0.4
161.04535	2.9
179.05582	14.0
191.05630	1.1
341.10962	100.0
342.11316	7.2
391.91052	0.4
592.71796	0.4
622.67865	0.5
663.43317	0.4
683.18555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.6
57.03332	2.1
58.00479	4.3
59.01268	93.4
60.01586	1.3
67.21608	0.8
70.87787	2.1
71.01272	74.9
72.01633	1.4
72.99197	4.7
73.02839	1.9
78.95844	0.7
79.12066	0.7
83.01266	1.7
85.02840	10.5
87.00780	4.8
89.02339	84.0
90.02666	1.5
91.69801	0.8
95.01297	4.0
101.02353	34.9
113.02362	27.7
113.03162	1.4
114.02681	1.1
119.03424	26.0
131.03421	3.3
143.03450	4.7
149.04501	2.7
161.04520	5.3
179.05560	20.3
267.09860	1.5
341.10974	100.0
342.11371	6.4
365.20224	0.8
366.34323	0.8
431.76898	0.8
438.89761	0.7
525.38007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43159	0.3
57.03327	0.4
59.01266	100.0
59.80004	0.3
60.01606	1.4
61.01715	0.3
61.98706	0.6
67.01768	0.4
69.03342	9.6
69.03696	0.6
70.03668	0.3
70.27290	0.4
70.30461	0.3
70.78011	0.9
71.01271	7.0
71.04931	0.5
71.76217	0.3
73.02840	2.8
75.00787	0.5
80.69866	0.3
81.03320	0.5
81.23576	0.3
83.01281	0.8
85.02843	4.7
85.06495	1.1
89.02338	1.5
93.03334	0.5
95.01293	1.5
97.02852	25.6
98.03204	1.1
99.00784	0.3
99.04449	0.4
101.02340	5.1
111.04452	0.4
113.02357	11.0
114.02718	0.4
115.03923	7.0
115.04689	0.5
119.03409	0.5
125.02364	0.7
131.03456	0.4
132.67537	0.3
133.02869	0.8
134.03691	0.5
137.02417	0.6
139.03954	0.6
143.03439	5.1
145.02896	1.1
149.04514	0.5
151.03970	0.9
155.03502	0.6
160.01643	0.4
161.04518	2.7
173.04594	0.6
174.93402	0.3
182.54626	0.3
184.05258	0.3
191.05652	1.0
193.05025	0.7
221.06709	0.4
235.31252	0.3
238.65114	0.3
275.23920	0.5
301.21762	1.0
311.22369	0.5
319.22861	7.0
320.23160	0.8
325.21881	0.5
329.28500	0.6
331.19235	0.6
343.22836	0.4
349.09702	0.4
373.27579	2.8
399.25687	0.4
417.26553	41.9
418.26892	5.9
431.28030	0.5
441.26559	9.0
442.26834	1.2
454.23035	0.4
459.27435	3.5
460.28079	0.3
471.27643	0.5
472.28207	0.3
483.27588	1.3
501.28821	0.6
531.30450	0.4
637.33636	0.4
681.26978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.6
59.01256	4.6
59.66220	0.3
63.21794	0.3
67.01778	0.7
69.03357	0.6
69.39637	2.8
71.01271	2.0
73.02835	0.9
75.00751	0.4
78.95795	5.1
81.03348	0.5
83.04945	0.3
85.02839	12.3
85.03366	0.6
87.00768	2.6
89.02344	0.5
93.03355	4.9
95.17507	0.3
96.95934	0.6
96.96857	3.6
99.00748	0.7
99.04423	0.7
101.02325	0.8
105.03341	0.3
109.02844	0.9
111.04426	1.5
111.48701	0.3
113.02342	0.7
117.03391	1.5
123.04388	0.4
126.25858	0.3
127.03929	2.5
132.02109	1.2
133.02872	8.8
134.03664	0.8
134.75754	0.3
135.04446	5.3
137.02397	1.2
139.11256	0.6
150.03064	0.4
151.00296	0.4
155.10707	0.5
159.06512	0.5
160.01634	1.7
161.02382	35.0
162.02733	1.6
163.03979	0.6
171.02922	0.7
173.04462	1.8
178.02682	0.7
179.03456	4.2
183.10226	0.7
186.86017	0.3
191.05576	100.0
192.05908	3.9
195.06718	0.4
199.09654	0.5
233.09491	1.6
234.09944	0.3
245.88554	0.3
247.07367	0.4
249.08916	0.7
255.03029	0.8
257.15530	0.6
271.02539	1.4
283.09677	0.4
285.04169	0.9
300.02829	3.4
301.03629	0.7
353.08853	2.0
407.39468	0.4
447.09351	4.1
447.21930	0.3
448.09668	0.7
489.17761	35.4
490.18042	5.5
507.18765	2.4
681.24097	17.7
682.24573	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	681.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.0
65.00221	0.2
69.94094	1.5
78.95798	3.1
89.02354	0.4
92.39264	0.3
93.03335	0.4
96.96871	2.7
98.20541	0.3
99.80966	0.2
101.02419	0.3
103.48122	0.2
107.01292	0.4
109.02814	0.3
117.03374	0.3
125.02380	0.5
133.02931	0.3
135.04497	0.5
137.02441	0.3
138.73180	0.3
151.00348	1.5
161.02385	1.4
163.00420	0.3
167.05002	0.3
179.03357	0.4
183.10353	0.3
185.05997	0.5
187.03963	0.4
191.05542	0.8
211.04053	0.7
212.04694	0.3
213.05641	0.4
227.03505	22.0
228.03920	1.8
229.05013	1.9
233.09520	3.1
239.03496	0.6
255.03038	34.1
256.03662	4.5
257.04526	1.0
284.03336	46.3
285.04050	21.5
286.04465	1.4
327.05246	0.6
447.09415	100.0
448.09753	11.3
519.21100	0.6
586.39282	0.3
650.75165	0.3
681.24347	0.8
709.91956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
59.01249	1.3
60.54332	0.3
69.03345	3.6
70.97301	0.3
72.72289	0.3
78.68367	0.3
78.95805	0.6
82.67373	0.4
94.41883	0.3
97.06479	0.7
99.04417	7.7
100.04748	0.4
109.48450	0.4
115.12121	0.3
158.71422	0.3
162.44205	0.3
165.12691	0.4
168.34277	0.3
259.20633	0.5
275.23859	4.0
276.24060	0.5
277.21774	100.0
278.22128	10.6
281.31189	0.3
290.31070	0.3
301.21759	5.0
302.22006	0.6
319.22827	3.8
320.23090	0.5
401.27042	42.2
402.27380	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	679.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01606	1.2
61.98714	0.6
69.46884	1.7
69.63982	0.2
71.01271	2.3
73.02839	0.6
78.95802	0.4
79.14153	0.2
83.01306	0.3
85.02846	0.9
87.00784	0.3
88.98701	0.2
89.02340	0.7
93.03388	0.4
95.01231	0.3
95.24261	0.2
97.02871	0.7
99.04419	37.7
100.04758	0.9
101.02355	1.4
104.32482	0.2
111.00808	1.8
113.02362	2.0
117.50599	0.2
119.04924	0.2
125.02401	0.2
128.41158	0.2
128.90039	0.2
133.02853	0.7
135.04407	0.6
137.02440	0.2
143.03404	0.3
143.43820	0.2
149.05991	0.6
160.01637	0.3
160.78601	0.2
161.02443	1.3
161.04469	1.3
161.38072	0.2
173.04550	0.5
179.03369	0.4
191.05586	0.7
212.20410	0.2
260.34085	0.2
309.63705	0.2
315.19699	0.4
331.18921	0.3
333.20758	1.5
343.15543	0.5
344.06262	0.2
344.14020	0.2
441.22186	0.3
457.44543	0.2
477.24875	2.0
495.25815	0.7
537.26941	1.9
538.27124	0.3
559.28943	1.1
560.29517	0.2
577.29877	0.8
619.30914	0.8
643.27753	0.2
679.35370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.4
59.01266	100.0
60.01597	0.8
61.98722	6.7
67.01767	0.4
69.03345	0.4
71.01274	5.7
71.04899	0.3
71.57291	0.4
73.02843	1.1
78.95819	1.1
83.01297	0.8
85.02846	2.5
85.05256	0.4
87.00778	0.6
89.02365	1.4
90.51192	0.3
93.03381	0.8
93.47421	0.3
95.01301	0.8
96.95915	1.7
97.02874	1.2
99.00791	0.5
99.04427	4.7
101.02346	1.9
109.02863	0.3
112.01591	0.5
113.02355	3.5
119.03393	0.6
119.04905	0.3
121.02834	0.3
123.08084	0.6
129.28413	0.3
133.02905	0.8
135.04497	0.8
136.89020	0.3
139.03938	0.6
143.03415	0.5
145.02919	0.5
149.06009	2.2
161.02417	2.1
161.04524	0.8
162.02774	0.4
167.03535	0.4
169.97813	0.4
173.04550	0.9
175.03990	0.4
179.03496	0.7
191.05554	2.1
195.06525	0.4
197.11922	0.4
205.08708	0.6
243.14157	0.4
326.81760	0.3
329.17590	3.3
331.19263	0.4
347.18823	0.4
349.18747	3.3
415.25003	1.7
529.28497	0.4
559.29272	18.4
560.29547	3.5
577.30621	3.2
578.31067	0.6
619.31018	2.5
620.32074	0.5
639.18433	0.4
641.29980	0.5
679.24103	0.4
679.37585	0.6
692.64032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01599	0.9
61.98708	0.2
67.80321	0.2
69.24977	1.9
71.01273	2.3
73.02827	1.0
74.32430	0.2
78.95776	0.3
83.01301	0.4
85.02843	1.1
87.00786	0.4
89.02355	0.6
93.03343	1.6
97.02856	0.5
99.04418	34.8
100.04764	0.8
101.02357	1.5
111.04429	0.7
113.02363	1.9
123.73036	0.2
125.02313	0.2
133.02893	0.5
134.03612	0.3
135.04425	2.7
141.07091	0.2
143.03424	0.2
155.03406	0.4
161.02371	1.0
161.04503	1.2
163.04008	0.2
173.04523	1.6
179.03436	2.6
179.30489	0.2
180.03813	0.3
189.05544	2.2
191.05589	1.4
198.06827	0.3
215.07133	0.9
256.10898	0.2
257.11887	0.3
258.12610	1.8
267.13818	0.4
273.15021	0.7
284.14188	0.4
311.12881	0.4
315.19522	0.4
328.13309	1.1
333.20786	1.0
343.15567	3.8
344.15771	0.5
459.23947	0.2
477.25186	1.6
478.25192	0.2
495.26047	0.5
517.20911	4.1
518.21088	0.5
537.27277	1.4
559.29205	1.3
577.29865	0.5
619.31683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	7.8
59.01264	14.9
61.98716	42.3
69.03338	2.6
69.52239	4.6
71.01270	7.5
71.04919	0.9
73.02840	10.6
75.00712	0.5
80.41820	0.5
81.03349	0.8
83.01275	3.1
83.04912	6.5
85.02844	61.8
86.03162	0.8
88.99423	0.5
89.02315	0.5
93.03406	0.6
96.95900	1.5
97.02859	1.2
98.20531	0.8
99.04391	1.2
101.02359	5.3
104.02180	0.6
109.02831	0.6
109.06550	0.5
111.00793	24.5
111.08066	1.0
112.01598	1.2
113.02370	1.7
123.08082	2.9
125.02386	2.5
133.02913	0.9
135.04431	0.7
135.08110	0.5
139.03969	2.9
140.04314	0.8
140.80725	0.5
142.34422	0.6
143.03447	0.8
149.06024	4.7
153.01871	2.0
155.03487	1.2
161.02386	2.8
163.11256	0.7
191.05603	1.0
203.05577	1.1
225.14412	0.6
243.72456	0.6
259.20654	1.1
273.22354	1.9
275.23880	1.8
283.20761	1.8
301.21808	10.3
302.22156	1.7
319.22870	2.0
325.25494	1.4
329.17703	1.2
343.26508	3.0
369.24503	6.2
370.24725	1.8
387.25522	27.4
388.25739	5.4
411.25470	0.8
413.23499	15.2
414.23700	2.4
429.26260	0.9
431.24472	100.0
432.24817	15.6
455.24368	4.6
456.25247	0.6
469.29599	0.9
473.25565	19.0
474.25977	2.5
575.28137	0.7
635.30872	16.9
635.41107	1.1
636.31403	2.5
658.30328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
58.00463	0.2
59.01265	100.0
60.01587	1.2
61.98721	1.4
65.13692	0.2
69.03330	0.2
69.98347	1.0
71.01270	4.8
73.02834	1.4
75.00729	0.2
78.95811	0.4
81.03352	0.3
83.01291	0.7
85.02847	3.6
87.00784	0.3
88.98720	0.4
89.02348	1.2
91.56188	0.2
93.03367	0.4
95.01296	0.5
96.95947	0.8
97.02892	0.5
99.00800	0.5
99.04421	10.1
100.04800	0.3
101.02341	1.8
109.02930	0.3
111.00815	0.7
111.04420	0.2
113.02358	3.8
113.03080	0.4
119.03373	0.3
121.02869	0.3
123.48927	0.2
125.02428	0.3
133.02850	0.2
134.03737	0.2
135.04468	0.4
138.01926	0.2
143.03441	0.4
149.06065	0.5
161.02383	1.0
161.04468	1.0
173.04570	0.7
179.03358	0.5
191.05646	0.8
252.10547	0.2
309.20749	0.2
313.03482	0.2
315.19656	0.4
331.19464	0.3
333.20697	1.7
334.20911	0.3
341.06720	0.2
369.24680	0.3
387.25595	0.5
413.23526	0.4
415.24939	1.6
416.25180	0.3
416.76907	0.2
431.24622	2.1
432.25214	0.2
477.25385	0.7
511.27414	0.7
559.29211	18.7
560.29584	3.1
577.30341	3.0
578.30890	0.8
619.31378	3.0
620.32129	0.6
635.31665	0.2
679.34229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71795	0.2
55.01753	0.3
57.03331	0.3
59.01265	30.0
61.98724	1.7
63.54147	0.2
69.03339	0.7
69.58684	2.0
70.29315	0.2
71.01270	2.6
73.02833	0.9
78.95805	0.4
81.03342	0.6
83.01283	0.3
83.37628	0.2
85.02838	1.7
87.00777	0.3
88.98713	0.4
89.02351	0.3
95.01254	0.3
96.95914	1.0
97.02862	1.8
97.06491	0.9
99.00768	0.3
99.04419	0.3
101.02366	1.3
107.04945	0.3
109.02863	0.4
109.40518	0.2
110.35038	0.2
113.02337	1.6
119.04977	0.3
121.06498	0.3
123.04393	0.2
123.08077	0.8
125.02370	5.2
127.07571	0.4
131.59525	0.2
133.02896	1.3
135.04463	1.2
137.02393	0.3
147.08093	1.5
159.02928	0.4
161.02396	3.6
161.04489	2.9
161.09653	1.1
162.02704	0.4
163.03931	0.4
163.07469	0.3
163.11258	2.3
165.09082	0.3
171.10358	0.4
173.04489	0.4
179.03456	0.8
191.05577	1.6
191.07097	14.4
192.07433	1.0
205.08687	9.6
206.09187	1.1
221.08183	1.9
265.14410	0.3
269.19189	0.7
287.07663	0.4
287.13251	0.3
289.18030	0.3
313.18097	0.3
329.23672	0.4
331.19208	100.0
332.19556	11.9
349.20276	8.6
350.20776	0.7
365.09592	0.3
455.67880	0.3
619.27863	3.1
620.28125	0.9
635.26691	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	679.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	33.1
60.01600	0.3
61.98725	0.7
62.62254	0.1
68.99720	0.2
69.03341	0.5
71.01269	2.7
71.04926	0.3
73.02856	0.7
74.20004	0.1
81.03352	2.2
83.01291	0.5
85.02850	1.5
87.00781	0.2
89.02353	0.3
93.03395	0.3
95.01303	0.2
96.95933	0.4
97.02860	1.9
97.06501	1.6
99.00826	0.2
101.02339	1.5
113.02361	1.4
119.04955	0.5
123.08097	0.7
125.02368	7.5
125.09721	0.2
126.02769	0.2
127.07546	0.4
143.03436	0.2
147.08102	1.3
148.76588	0.2
159.02960	0.2
161.04507	3.3
161.05875	0.3
161.09628	0.9
163.04018	0.4
163.11250	2.2
165.09048	0.2
189.05489	0.2
191.05595	0.8
191.07108	16.0
192.07443	1.1
195.06529	0.2
205.08694	11.5
206.09190	1.1
221.08189	1.6
231.10344	0.2
269.19189	0.8
285.18823	0.2
287.07877	0.2
287.20282	0.4
313.18176	0.4
321.94235	0.2
331.19223	100.0
332.19568	12.0
349.20288	8.2
350.20480	1.3
357.20627	0.2
383.18729	0.2
495.33020	0.2
619.27771	3.4
620.28064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96931	0.2
59.01266	34.1
60.01604	0.3
61.98724	2.6
68.49300	0.3
69.03355	0.5
70.52283	0.2
71.01276	3.0
72.99189	0.4
73.02845	0.8
75.00780	0.3
81.03353	1.5
82.96581	0.2
83.01307	0.6
85.02843	2.1
87.00789	0.5
89.02349	0.6
93.03372	1.0
95.01302	0.5
96.95920	7.4
97.02854	2.5
99.00780	0.5
101.02368	1.1
103.10409	0.2
109.02850	0.4
113.02347	1.5
119.04948	0.3
123.08119	0.5
125.02369	6.2
125.03246	0.4
127.07616	0.3
134.03648	1.0
135.04488	1.6
147.08151	0.4
151.03886	0.2
157.83015	0.3
161.02487	0.3
161.04550	1.0
163.03986	0.6
173.04488	0.7
177.01904	0.8
178.02744	0.3
179.03462	0.9
182.39090	0.3
191.05583	2.9
191.07108	19.9
192.07452	1.1
193.05043	1.3
205.08688	13.6
206.09210	1.6
213.14978	0.4
221.08275	2.5
313.18167	1.0
327.15338	0.5
329.17700	1.0
331.19226	100.0
332.19574	10.6
349.20282	9.5
350.20642	1.0
357.20865	0.7
437.18204	0.5
455.11563	0.3
477.24310	0.3
619.27814	4.8
619.37079	0.4
620.28241	1.1
637.38477	0.4
679.32428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	22.0
61.98711	1.7
67.01767	0.8
69.03342	15.9
69.90060	3.0
70.03657	0.6
71.01262	4.1
71.04912	0.6
73.02829	2.2
78.95767	0.6
84.21602	0.6
85.02849	3.3
89.02348	0.8
95.03230	0.6
97.02851	100.0
98.03178	2.8
99.00795	0.8
99.04424	2.1
101.02348	2.0
109.02872	0.6
113.02338	1.8
114.47052	0.6
115.03925	17.4
123.04426	0.9
133.02873	2.4
135.04445	2.3
161.02400	4.8
163.11220	0.6
179.03468	1.6
191.05487	1.2
195.06552	0.6
241.07426	0.8
259.08301	2.4
269.40118	0.6
301.09363	1.5
315.20197	0.6
333.20837	7.0
334.21213	0.9
387.25555	1.5
431.24399	12.8
432.24887	1.9
635.28064	1.9
679.37665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2546
Annotation	Ramonanin B
Peak:m/z	Relative Intensity
57.37360	2.7
59.01261	36.5
61.98433	3.5
61.98722	49.4
67.67308	2.6
69.31043	17.1
69.31467	9.7
71.01260	8.6
78.95780	3.5
83.04908	5.4
85.02837	6.8
87.00774	3.2
89.02336	2.9
90.94478	2.9
91.01786	7.4
93.03349	23.1
96.95911	10.9
98.20605	5.1
101.02368	4.4
113.02380	2.9
119.01292	3.1
121.02848	10.1
123.08064	4.6
133.02881	5.0
134.03664	8.0
135.04404	8.5
137.01479	3.4
137.02388	24.9
151.03952	100.0
161.02368	7.1
173.04442	8.8
179.03450	3.2
191.05588	50.2
191.07048	3.2
193.04955	4.9
205.08954	2.8
209.11804	10.9
257.36594	2.6
271.79944	2.7
296.95313	2.5
329.17603	49.9
330.18005	7.9
339.04990	6.3
347.18607	17.9
347.30988	2.4
349.18695	5.2
352.16403	2.5
367.10257	12.0
416.20694	2.6
443.15594	3.5
527.20551	9.1
539.56793	3.1
618.46796	23.3
619.47430	8.0
679.24969	74.6
680.25348	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	679.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01587	0.3
60.99191	0.7
61.98716	0.7
62.67478	0.3
67.01786	2.0
69.03351	0.6
70.69034	0.3
71.01275	3.7
73.02865	1.0
78.95803	0.7
81.03333	0.7
83.01279	0.5
83.04913	0.6
85.02840	2.4
87.00771	2.5
87.86668	0.4
89.02346	0.8
89.03886	0.3
93.03360	12.7
96.95924	0.9
97.02877	0.3
98.19772	0.7
99.00810	0.4
99.04420	34.6
100.04784	0.8
101.02370	1.7
107.04957	0.9
109.02908	0.5
111.04423	2.1
113.02332	1.5
119.05003	0.3
127.03973	0.7
133.02869	2.4
134.03674	3.6
135.04456	31.0
136.04846	1.2
137.02380	1.0
149.02426	0.3
152.99609	0.5
155.03479	0.9
161.02390	5.2
161.04550	1.0
162.02805	0.6
173.04535	5.2
173.05969	0.8
179.03476	26.4
180.03851	1.3
189.05600	2.1
191.05598	8.6
193.10117	0.3
197.06157	0.5
198.06917	0.7
215.07190	0.8
242.05940	0.7
243.14079	1.2
258.12637	1.5
267.13989	1.9
273.15115	0.4
283.13477	0.8
285.15027	0.8
311.13000	2.8
312.13501	0.5
315.19952	0.5
328.13287	0.7
329.14236	0.6
331.19470	0.4
333.20953	1.3
335.08038	0.5
343.15787	1.1
347.17249	0.8
353.09171	0.4
477.25082	1.8
495.26160	0.4
499.82263	0.4
517.20911	24.0
518.21246	4.0
537.27423	1.7
559.29694	1.0
577.30322	0.7
679.24524	1.7
679.37128	0.7
680.24609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74325	0.2
57.03344	0.3
59.01258	1.6
67.01760	0.3
69.50238	0.2
69.70870	0.8
69.71301	0.6
71.01283	0.8
73.02834	0.2
81.03351	0.5
83.04930	0.6
85.02859	1.0
87.00771	0.9
89.02316	0.3
92.44460	0.2
93.03356	3.7
94.03699	0.3
98.19809	0.4
99.04420	0.4
101.02357	0.5
111.04433	2.4
113.02377	0.3
117.03470	0.2
119.04945	43.8
120.05261	1.8
120.94718	0.2
124.42498	0.2
127.03930	0.5
129.01866	0.3
135.04405	0.3
137.02493	0.3
145.02902	0.3
155.03438	2.0
163.03957	100.0
164.04297	4.7
173.04509	4.2
191.05582	14.4
192.05963	0.6
198.38507	0.2
223.07555	0.3
250.06682	0.8
327.08731	0.5
337.09341	48.9
337.59479	1.7
338.09705	3.8
341.10928	0.9
385.76019	0.2
501.14249	0.3
679.19171	0.3
685.16144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02858	0.3
59.01249	0.4
61.16080	0.2
61.58048	0.2
71.01256	0.3
72.04478	0.1
75.00726	0.1
78.95796	0.7
80.04926	0.2
81.03349	5.6
82.03644	0.2
83.04915	16.1
84.05238	0.3
85.02831	0.5
87.00777	0.2
93.03340	0.6
96.95889	0.1
96.96851	0.6
98.20505	0.3
100.07575	0.3
107.06024	0.3
108.02072	0.4
108.04427	0.4
109.02865	0.8
109.03488	0.1
111.04404	0.2
111.39724	0.1
113.02348	0.2
119.04927	0.2
125.02335	0.1
125.07113	1.1
126.05507	0.4
133.02873	0.3
134.03693	0.2
135.04434	1.1
137.02368	0.4
143.08229	0.6
145.02856	0.5
152.01091	0.6
155.03395	0.2
157.13423	0.2
161.02426	0.7
161.05966	0.5
163.03925	0.3
167.03455	1.0
168.03906	0.2
169.13348	0.2
173.04494	0.9
179.03461	1.2
187.03915	0.2
191.05574	4.6
192.05850	0.3
195.06593	0.2
199.18225	0.2
207.15041	1.3
208.13496	0.2
224.17680	2.4
225.16087	12.1
226.16367	0.6
227.06839	0.1
233.06088	1.0
233.09489	0.7
235.07649	0.7
238.05803	0.1
239.03607	0.2
242.18755	0.8
253.08749	0.4
268.16693	0.2
269.08286	0.2
279.03766	0.1
279.06638	0.8
281.04654	0.7
290.22543	0.2
291.20966	0.1
297.07684	0.5
299.02100	0.2
305.04608	5.0
306.04883	0.7
309.21924	0.9
323.05704	0.9
324.26804	0.6
333.22961	0.8
337.73312	0.1
339.27704	0.2
341.06628	0.6
341.29172	0.9
351.23856	0.2
353.08707	0.5
357.09720	0.3
367.27185	1.0
385.28171	0.3
407.33774	0.2
433.31802	1.2
434.31638	0.1
450.34637	1.2
451.32993	6.1
452.33234	1.0
468.35556	0.2
497.11090	0.4
515.11963	1.3
516.12463	0.3
535.39008	0.2
550.43488	1.0
551.43536	0.2
559.39581	0.5
565.44623	0.2
593.44006	0.6
633.27838	0.5
659.48846	1.5
660.49298	0.3
677.49817	100.0
678.50128	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02858	0.3
59.01249	0.4
61.16080	0.2
61.58048	0.2
71.01256	0.3
72.04478	0.1
75.00726	0.1
78.95796	0.7
80.04926	0.2
81.03349	5.6
82.03644	0.2
83.04915	16.1
84.05238	0.3
85.02831	0.5
87.00777	0.2
93.03340	0.6
96.95889	0.1
96.96851	0.6
98.20505	0.3
100.07575	0.3
107.06024	0.3
108.02072	0.4
108.04427	0.4
109.02865	0.8
109.03488	0.1
111.04404	0.2
111.39724	0.1
113.02348	0.2
119.04927	0.2
125.02335	0.1
125.07113	1.1
126.05507	0.4
133.02873	0.3
134.03693	0.2
135.04434	1.1
137.02368	0.4
143.08229	0.6
145.02856	0.5
152.01091	0.6
155.03395	0.2
157.13423	0.2
161.02426	0.7
161.05966	0.5
163.03925	0.3
167.03455	1.0
168.03906	0.2
169.13348	0.2
173.04494	0.9
179.03461	1.2
187.03915	0.2
191.05574	4.6
192.05850	0.3
195.06593	0.2
199.18225	0.2
207.15041	1.3
208.13496	0.2
224.17680	2.4
225.16087	12.1
226.16367	0.6
227.06839	0.1
233.06088	1.0
233.09489	0.7
235.07649	0.7
238.05803	0.1
239.03607	0.2
242.18755	0.8
253.08749	0.4
268.16693	0.2
269.08286	0.2
279.03766	0.1
279.06638	0.8
281.04654	0.7
290.22543	0.2
291.20966	0.1
297.07684	0.5
299.02100	0.2
305.04608	5.0
306.04883	0.7
309.21924	0.9
323.05704	0.9
324.26804	0.6
333.22961	0.8
337.73312	0.1
339.27704	0.2
341.06628	0.6
341.29172	0.9
351.23856	0.2
353.08707	0.5
357.09720	0.3
367.27185	1.0
385.28171	0.3
407.33774	0.2
433.31802	1.2
434.31638	0.1
450.34637	1.2
451.32993	6.1
452.33234	1.0
468.35556	0.2
497.11090	0.4
515.11963	1.3
516.12463	0.3
535.39008	0.2
550.43488	1.0
551.43536	0.2
559.39581	0.5
565.44623	0.2
593.44006	0.6
633.27838	0.5
659.48846	1.5
660.49298	0.3
677.49817	100.0
678.50128	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10140	0.2
55.01784	1.0
57.03349	1.0
58.00486	1.7
59.01266	36.1
60.01596	0.3
61.98723	0.5
67.01788	0.3
68.99712	0.5
69.03346	2.1
71.01272	35.8
71.59307	0.2
72.01615	0.4
72.99197	3.5
73.02837	5.7
75.00771	1.1
78.95802	0.6
80.96403	0.3
81.03355	1.5
83.01279	3.9
83.04932	0.4
85.02840	7.9
86.00024	0.3
86.03213	0.3
87.00774	9.1
87.04413	0.3
89.02338	30.0
90.02679	0.6
91.03923	0.8
93.03374	0.3
95.01302	2.4
97.02858	6.5
99.00777	2.4
99.04423	0.3
101.02349	27.9
102.02699	0.6
103.00273	0.3
103.03947	0.3
104.48843	0.3
109.02890	0.9
111.00764	0.6
111.04427	1.2
112.01574	0.2
113.02361	14.4
115.03938	0.8
119.03419	9.0
120.03764	0.2
121.02847	0.6
123.00774	0.2
123.04459	0.4
124.01573	0.2
125.02370	11.7
126.02697	0.5
126.45013	0.2
127.03931	0.7
129.01863	0.4
129.26765	0.2
131.03436	1.5
133.05025	0.9
135.04402	0.2
137.02348	0.3
139.03934	1.1
141.01886	0.5
143.03441	5.6
149.04524	0.7
152.99582	0.5
155.03419	0.2
157.04973	0.2
161.04498	7.3
164.77907	0.2
167.03455	0.8
169.05014	0.3
171.02908	0.4
179.05579	6.2
180.05945	0.4
185.04498	0.7
199.06094	0.6
203.05606	0.3
210.88133	0.2
217.07176	0.9
219.05148	0.4
221.06645	2.2
235.08249	13.2
236.08611	0.8
245.06714	0.6
253.09322	3.4
261.22238	0.5
263.07822	1.4
277.09396	0.8
277.21359	0.2
279.23352	100.0
280.23694	11.7
287.07840	3.3
293.24945	0.4
295.37485	0.2
305.08823	4.2
306.09299	0.5
319.73962	0.2
323.09991	1.5
324.10513	0.2
361.11493	0.6
379.12592	1.0
397.13596	84.7
398.13913	7.9
398.58002	0.2
415.14664	34.0
416.14981	3.0
577.27014	0.3
595.29181	0.7
657.78601	0.3
677.37347	0.5
703.36267	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77971	0.5
57.03335	0.6
59.01265	40.4
60.01635	0.4
61.98730	1.0
69.03329	0.6
69.75086	0.9
69.75497	1.8
71.01270	3.9
71.04908	9.5
73.02839	1.4
78.91756	0.6
83.01296	0.7
85.02839	1.7
85.46359	0.5
89.02354	0.8
93.03347	0.8
95.01263	0.8
96.95922	1.4
97.02849	4.0
99.00782	0.8
101.02333	2.2
109.02840	1.7
111.04385	0.5
113.02373	3.0
121.06506	0.9
123.00814	0.6
123.08079	21.4
124.01580	1.0
124.08424	1.2
125.02371	14.4
130.35306	0.4
134.03650	1.4
135.04459	0.6
137.02313	0.6
137.06036	1.4
140.81839	0.5
149.05879	0.5
149.99564	0.8
161.02412	0.6
161.04498	2.1
161.09657	1.0
168.00598	1.9
171.35313	0.5
173.04640	0.7
175.04036	0.5
179.03535	0.5
181.05032	2.7
182.05371	1.1
189.09181	3.6
190.09398	0.5
191.05573	1.5
191.07097	13.5
192.07437	0.8
193.04982	2.5
205.08698	12.0
206.09143	1.0
219.13918	2.5
221.08177	1.8
231.13892	1.4
241.05255	0.8
245.11827	2.3
256.07391	0.5
259.20850	0.5
263.12881	1.4
271.09821	0.9
285.18616	2.8
303.19788	3.5
329.17645	100.0
330.17975	9.6
331.19153	1.3
347.18707	58.2
348.19046	5.7
355.19220	1.2
371.18973	1.2
376.69232	0.5
389.19946	1.0
511.79691	0.5
557.23523	0.6
567.15625	0.5
617.26263	7.6
617.35291	0.7
618.26587	1.5
676.77606	0.5
677.20660	1.7
677.30688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56629	0.3
59.01265	2.8
60.71192	0.3
61.98719	8.2
69.70050	0.3
71.01273	1.1
71.56238	0.7
71.56594	0.3
78.95807	0.3
85.02881	0.6
89.02362	0.3
93.03363	0.3
95.87289	0.3
99.04420	2.6
101.02370	0.5
104.02662	0.3
105.03367	0.6
105.60912	0.3
117.03366	1.1
121.02900	0.5
123.04421	0.5
132.02078	1.9
133.02884	39.5
134.03581	1.3
135.04456	13.1
136.04787	0.4
137.02385	1.0
159.04517	0.6
160.01620	0.4
161.02396	100.0
162.02727	5.1
173.04538	0.4
178.02608	0.4
179.03488	7.7
191.05609	1.2
203.03416	0.6
260.19409	0.4
299.01962	0.3
463.16037	1.0
533.20374	12.8
534.20746	1.8
591.24561	2.0
592.24774	0.5
633.25629	45.2
634.26031	9.3
677.32550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75788	0.1
55.05419	0.1
59.01262	0.4
61.98703	0.1
70.86883	0.1
70.87199	0.1
71.01273	0.1
73.02843	0.2
78.95780	0.3
79.95628	2.3
80.10508	0.1
87.20199	0.1
90.60387	0.1
96.95914	100.0
97.02843	0.1
97.93018	0.1
97.95831	0.4
113.92539	0.3
114.93279	0.3
189.12845	0.4
205.08673	0.3
269.19348	0.1
296.40054	0.1
313.18173	2.4
314.18619	0.3
331.19217	0.7
332.19464	0.1
355.19189	0.2
373.20114	0.1
665.26978	0.1
677.17090	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	677.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.6
65.02766	0.3
67.01771	0.7
69.57464	2.5
71.01266	1.6
71.90889	0.4
73.02839	0.8
79.58465	0.4
81.03375	0.5
83.04919	0.8
85.02845	7.1
87.00777	1.2
93.03362	6.0
96.95924	0.5
99.00706	0.4
107.04913	0.9
109.02901	0.6
111.00817	0.5
111.04414	3.5
113.02402	0.4
117.03368	1.0
127.03951	2.0
132.02106	1.4
133.02888	5.8
134.03682	4.1
135.04446	91.0
136.04796	4.0
137.02332	0.9
140.43625	0.4
151.00256	0.5
155.03442	3.4
160.01639	1.5
161.02386	34.2
162.02715	1.6
171.02963	0.6
173.04504	12.7
173.06029	0.7
179.03455	100.0
180.03798	4.4
184.83745	0.4
185.47087	0.5
191.05577	94.8
192.05928	3.6
204.07019	0.4
243.03113	0.6
271.02600	0.5
300.02530	0.7
301.03674	0.6
323.07782	14.1
324.08194	0.8
335.07785	7.9
335.58054	0.5
336.08194	0.9
341.08844	7.8
341.12607	0.8
353.08832	61.0
354.09198	4.7
497.13126	8.9
498.13776	0.9
515.14130	78.8
516.14459	8.6
595.13220	1.2
677.17334	16.3
678.17224	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	677.1532
Annotation	1,3,5-Tri-O-caffeoylquinic acid
Peak:m/z	Relative Intensity
51.23053	0.6
59.01267	3.9
60.30212	0.6
62.21726	0.7
67.01773	1.2
69.79175	3.9
71.01267	2.1
73.02829	0.7
81.03366	1.2
83.04907	1.7
85.02834	4.9
87.00766	2.6
93.03356	14.9
96.95902	1.9
99.04382	0.6
107.04904	0.7
108.02055	1.5
109.02864	60.1
110.03219	1.2
111.04434	6.8
117.03341	0.7
123.04433	0.8
127.03976	1.0
133.02864	2.9
134.03690	3.1
135.04449	50.3
136.04785	1.9
137.02382	4.2
145.02893	26.9
145.04070	1.0
146.03517	2.5
150.03163	0.8
151.03934	3.0
152.01108	0.7
154.01613	0.6
155.03441	5.1
158.03662	0.8
159.04483	4.9
159.06490	1.0
161.02406	18.2
161.06020	17.9
162.03178	3.1
162.06343	1.0
163.03912	0.9
167.03371	0.9
173.04520	27.9
173.06023	1.4
174.04854	1.0
175.03995	0.9
177.05573	2.1
179.03459	44.5
180.03770	2.0
183.06525	0.7
186.03154	0.7
187.03966	12.8
188.04272	1.2
191.05589	41.9
192.05914	1.5
196.33716	0.6
203.03606	1.0
205.04982	3.3
205.06673	0.7
209.06070	1.2
211.03992	2.6
213.02019	1.4
214.02692	1.3
225.05611	1.0
231.03018	1.8
233.06084	3.1
235.07741	2.0
237.05598	4.4
239.03534	10.3
240.04237	5.2
251.07191	1.6
253.05113	13.0
253.07892	1.0
253.08762	0.8
254.05711	1.6
255.06648	11.7
256.07031	1.1
261.05688	0.8
262.76260	0.6
264.04355	1.0
269.08322	1.5
277.05115	1.1
279.03427	3.5
279.06436	3.9
280.03635	2.2
280.06528	0.7
281.04617	53.6
282.05032	5.8
295.06110	1.5
295.09702	0.8
297.07758	20.0
298.08078	1.8
299.05670	0.7
305.04614	13.0
306.04840	1.6
323.05692	13.5
324.06036	1.0
335.07803	5.0
339.04858	0.7
341.06732	46.3
342.06937	3.8
353.08801	7.1
357.09674	4.7
497.11020	28.8
498.11105	4.0
515.12048	100.0
516.12451	15.3
633.27124	1.0
677.03802	0.6
677.15088	14.2
677.25623	1.3
678.15509	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	677.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09455	0.4
59.01266	3.9
61.88275	0.4
61.98713	0.6
67.01772	1.8
69.03344	0.6
69.42030	4.2
71.01270	3.2
73.02842	0.5
75.00764	0.7
77.72483	0.4
78.95798	0.8
79.95638	2.5
81.03337	1.1
83.04908	1.4
85.02839	3.4
86.09209	0.4
87.00768	1.4
93.03356	13.6
93.03926	0.8
94.03735	0.6
96.95915	100.0
98.20584	0.4
98.95478	0.7
101.02354	0.8
108.02078	0.4
109.02878	2.3
111.00803	1.2
111.04427	5.0
113.02382	0.9
117.03340	0.5
123.04427	0.4
125.02348	0.5
127.03938	1.1
132.02081	0.5
133.02888	7.9
134.03667	3.6
135.04454	56.5
136.04816	1.9
137.02362	5.6
142.07834	0.5
142.84351	0.4
145.02896	0.6
151.00381	0.6
151.03900	0.5
153.01831	0.5
155.03453	7.5
159.04507	0.8
161.02400	32.7
162.02771	2.0
163.04019	0.6
173.04523	62.1
174.04860	2.2
175.03940	1.0
179.03470	56.8
180.03773	2.1
191.05598	47.3
192.05965	1.8
193.05011	0.7
203.03502	1.4
255.06584	0.8
258.99057	0.5
270.01593	0.5
271.02536	1.6
289.20367	0.5
299.02066	2.1
299.05542	0.9
300.02643	0.7
301.03525	0.9
313.03549	0.8
317.06763	0.8
335.07764	6.6
353.08853	31.5
354.09186	1.8
402.57855	0.5
459.08600	0.5
461.07480	1.2
497.11102	1.6
515.12067	83.7
516.12292	9.6
535.21979	4.2
536.22357	0.6
615.64154	0.4
677.15350	5.6
677.34833	0.7
678.15460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09455	0.4
59.01266	3.9
61.88275	0.4
61.98713	0.6
67.01772	1.8
69.03344	0.6
69.42030	4.2
71.01270	3.2
73.02842	0.5
75.00764	0.7
77.72483	0.4
78.95798	0.8
79.95638	2.5
81.03337	1.1
83.04908	1.4
85.02839	3.4
86.09209	0.4
87.00768	1.4
93.03356	13.6
93.03926	0.8
94.03735	0.6
96.95915	100.0
98.20584	0.4
98.95478	0.7
101.02354	0.8
108.02078	0.4
109.02878	2.3
111.00803	1.2
111.04427	5.0
113.02382	0.9
117.03340	0.5
123.04427	0.4
125.02348	0.5
127.03938	1.1
132.02081	0.5
133.02888	7.9
134.03667	3.6
135.04454	56.5
136.04816	1.9
137.02362	5.6
142.07834	0.5
142.84351	0.4
145.02896	0.6
151.00381	0.6
151.03900	0.5
153.01831	0.5
155.03453	7.5
159.04507	0.8
161.02400	32.7
162.02771	2.0
163.04019	0.6
173.04523	62.1
174.04860	2.2
175.03940	1.0
179.03470	56.8
180.03773	2.1
191.05598	47.3
192.05965	1.8
193.05011	0.7
203.03502	1.4
255.06584	0.8
258.99057	0.5
270.01593	0.5
271.02536	1.6
289.20367	0.5
299.02066	2.1
299.05542	0.9
300.02643	0.7
301.03525	0.9
313.03549	0.8
317.06763	0.8
335.07764	6.6
353.08853	31.5
354.09186	1.8
402.57855	0.5
459.08600	0.5
461.07480	1.2
497.11102	1.6
515.12067	83.7
516.12292	9.6
535.21979	4.2
536.22357	0.6
615.64154	0.4
677.15350	5.6
677.34833	0.7
678.15460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1531
Annotation	1,3,5-Tri-O-caffeoylquinic acid
Peak:m/z	Relative Intensity
57.03338	0.5
59.01258	2.4
62.82791	0.3
67.01771	1.9
69.03358	0.6
69.74033	0.3
71.01263	2.5
71.28728	0.6
73.02845	0.4
81.03354	0.7
83.04941	1.0
85.02831	3.5
87.00766	2.1
89.02332	0.5
93.03360	14.7
96.95914	1.9
98.95456	0.3
99.00724	0.3
101.02348	0.5
105.03326	0.4
107.04955	0.8
109.02842	0.8
111.00787	1.0
111.04424	6.0
113.02347	0.8
114.02726	0.4
116.64945	0.3
117.03448	0.4
121.02937	0.5
123.08068	0.5
127.03953	1.1
132.02110	0.4
133.02884	7.0
134.03693	2.6
135.04453	59.4
136.04796	2.3
137.02376	6.4
141.01843	1.0
145.02962	0.3
151.00307	0.7
152.01067	0.5
155.03448	9.0
156.03737	0.5
159.04489	0.7
161.02397	26.1
162.02744	1.6
163.03940	0.8
173.04518	79.3
174.04854	2.8
175.04005	0.6
176.04027	2.0
179.03471	66.4
180.03816	3.5
191.05598	47.4
192.05948	2.4
195.06656	0.8
203.03505	1.7
211.07643	0.6
255.06615	1.0
267.06439	0.4
271.02606	0.6
299.01990	1.2
299.05722	1.3
317.06693	1.4
323.07892	0.4
329.17654	1.1
335.07834	6.9
336.08234	1.0
339.05148	1.3
347.18906	0.8
353.08841	29.0
354.09180	2.3
437.27142	0.4
497.10992	1.7
515.12067	100.0
516.12396	13.0
516.18323	0.4
677.15161	4.8
678.15607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39960	0.3
59.01268	100.0
60.01604	0.8
69.78827	0.3
71.58899	0.4
78.95811	1.2
89.98981	0.3
92.66131	0.3
93.11338	0.3
103.38758	0.3
105.53183	0.3
125.64503	0.3
152.99591	0.9
176.73509	0.3
191.05652	0.3
277.22000	0.9
319.20563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00946	0.6
52.86566	0.6
55.01775	2.0
57.03357	1.2
58.00476	0.8
59.01265	24.4
60.48035	0.6
60.58088	0.6
61.98714	2.7
69.03339	1.5
71.01270	25.8
73.02836	9.9
75.00746	1.3
79.45144	0.7
81.03352	1.1
83.01280	3.4
85.02849	13.8
87.00769	3.2
89.02338	9.9
93.03350	5.2
93.30036	0.7
95.01303	2.0
96.95921	1.7
97.02856	2.4
97.72034	0.6
99.00778	5.3
99.04420	0.7
101.02351	19.7
103.71346	0.6
109.02863	0.9
111.00785	1.2
111.04453	0.8
113.02360	10.0
115.03918	1.6
117.39122	0.6
119.04945	100.0
120.05265	4.7
121.02872	69.2
122.03218	2.8
122.06049	1.1
123.00820	1.5
123.04446	4.2
124.01541	0.9
125.02377	2.2
127.07549	0.6
129.01807	0.6
131.03412	1.7
135.04449	3.0
137.02390	1.6
143.03452	0.9
149.04500	0.7
152.07127	0.8
153.05495	1.5
159.02936	1.7
161.02419	0.8
161.04489	6.5
163.03979	3.5
163.11208	1.1
167.03522	0.7
173.04521	1.4
179.03471	1.1
181.05040	16.1
182.05443	0.7
183.03008	1.8
187.04390	0.6
191.05563	7.9
191.07166	5.8
193.04875	0.8
195.06631	1.8
205.08717	4.1
209.11751	0.8
213.14818	1.5
227.12924	0.9
229.57298	0.9
303.19598	1.3
317.11859	0.9
327.08887	1.0
329.17697	2.7
330.18030	0.8
331.19229	36.4
332.19608	5.2
335.12479	1.6
343.10489	11.5
344.10773	1.3
347.18784	4.2
349.20154	1.9
357.12247	1.3
419.12042	0.7
465.28546	1.9
483.29553	4.5
597.33044	1.9
615.33972	83.7
616.34235	16.9
618.15216	0.7
675.19464	1.5
675.30389	23.6
675.80841	0.8
676.30853	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	675.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.5
56.67303	0.2
57.03332	1.4
58.00484	2.3
58.98236	0.2
59.01264	48.1
60.01583	0.5
61.98718	0.6
67.01765	0.3
68.99704	0.4
69.03352	2.2
71.01269	41.2
72.01612	0.6
72.99200	3.2
73.02835	6.1
74.09412	0.2
75.00759	1.0
75.54195	0.3
78.95799	2.2
81.03361	1.9
83.01274	5.3
83.04953	0.5
85.02842	8.8
85.99982	0.6
87.00773	9.7
87.04401	0.5
89.02337	35.2
90.02673	0.6
91.03906	0.8
93.03350	0.7
95.01294	2.5
96.96866	0.4
97.02851	8.2
98.19651	0.4
99.00774	2.9
99.04407	0.6
101.02345	34.4
102.02684	0.6
103.00261	0.5
103.03916	0.5
109.02876	0.9
111.00824	0.6
111.04433	1.3
112.01606	0.3
113.02355	16.0
114.02667	0.6
115.03909	0.6
119.03420	10.4
121.02870	0.8
123.00854	0.3
123.04459	0.5
124.01563	0.5
125.02367	14.7
126.02692	0.4
127.03922	0.6
127.07523	0.2
129.01874	0.3
131.03416	2.2
133.02852	0.4
133.04945	1.2
135.04454	0.3
137.02411	0.4
139.03955	1.4
141.01875	0.7
143.03435	6.9
143.04550	0.4
147.97391	0.2
148.27127	0.2
149.02451	0.3
149.04536	1.2
149.63116	0.2
152.99518	0.7
157.05022	0.5
161.04497	7.9
167.03406	1.1
169.05011	0.6
171.02905	0.4
179.05569	7.7
181.05026	0.3
185.04500	0.9
188.87692	0.2
199.06065	0.5
203.05577	0.3
209.04344	0.2
217.07188	1.2
219.05104	0.6
221.06654	3.0
235.08235	15.7
236.08612	0.7
238.24014	0.2
245.06596	0.7
253.09317	4.6
259.20718	0.6
263.07715	1.8
275.20175	0.5
277.21774	99.8
278.22098	8.6
287.07809	4.2
305.08862	5.1
306.09183	0.4
323.09900	2.1
339.05051	0.2
361.11386	0.6
379.12601	1.5
397.13580	100.0
398.13898	7.4
415.14645	39.6
416.15088	2.8
675.35388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.4
57.03340	1.6
58.00481	2.4
59.01266	47.7
60.01596	0.4
60.99200	0.1
61.98706	0.4
67.01788	0.4
68.61716	0.1
68.99701	0.3
69.03345	2.6
71.01270	43.9
71.04893	0.2
71.58517	0.2
72.01619	0.5
72.99200	3.4
72.99582	0.3
73.02834	7.4
75.00766	1.1
78.95793	1.6
81.03350	2.0
83.01275	4.6
83.04922	0.4
84.01617	0.2
84.02058	0.2
85.02845	9.4
86.00019	0.4
86.03171	0.2
87.00773	10.3
87.04423	0.4
89.02338	36.3
90.02692	0.4
91.03896	0.9
93.03365	0.4
95.01286	3.0
95.04923	0.2
97.02849	7.0
98.03220	0.2
99.00789	2.5
99.04459	0.7
101.02348	34.9
102.02674	0.6
103.00281	0.4
103.03925	0.5
109.02882	0.7
111.00787	0.9
111.04433	1.3
113.02357	16.9
113.05978	0.2
114.02643	0.3
115.03931	0.6
117.82645	0.1
119.03420	10.0
120.03734	0.2
121.02885	0.6
123.00822	0.3
123.04446	0.3
124.01621	0.6
125.02370	14.9
126.02736	0.4
127.03909	0.7
127.07534	0.3
129.01846	0.2
131.03448	1.9
133.02831	0.1
133.04996	1.1
135.04521	0.2
137.02388	0.3
139.03929	1.1
141.01859	0.6
141.05484	0.2
142.02660	0.3
143.03438	6.4
144.03772	0.2
145.04918	0.2
148.04204	0.1
148.94456	0.1
149.02428	0.2
149.04504	1.2
151.03947	0.2
152.30281	0.1
152.99500	0.6
157.04961	0.3
159.02794	0.1
161.04494	7.5
161.89320	0.1
162.04843	0.2
163.03999	0.3
167.03481	0.8
169.04973	0.6
171.02913	0.3
179.05579	6.8
180.05928	0.2
181.05016	0.4
185.04567	0.8
199.06105	0.6
203.05638	0.6
205.19708	0.2
209.11742	0.2
217.07188	1.1
219.05052	0.5
221.06639	2.6
227.05649	0.2
233.22807	0.5
235.08250	15.4
236.08629	0.7
245.06711	1.2
253.09319	3.5
253.11877	0.2
259.08344	0.2
259.20590	0.6
263.07758	1.5
275.20197	0.5
277.09631	1.3
277.21774	100.0
278.22119	9.1
278.25339	0.2
287.07806	3.9
288.08102	0.2
291.23380	0.4
295.22760	0.2
305.08856	4.3
306.09167	0.2
323.09879	1.8
339.05429	0.1
361.11346	0.6
379.12631	1.1
397.13586	87.8
398.13925	7.1
398.19315	0.3
415.14664	36.2
416.14987	2.5
513.10657	0.1
548.24957	0.2
649.17810	0.1
657.34253	0.3
675.35834	0.7
675.43573	0.2
676.35803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21169	0.2
59.01263	13.2
60.01591	0.2
61.98719	6.6
65.76723	0.2
71.01267	0.5
71.38139	0.3
81.03366	0.5
83.04932	0.2
85.02863	0.3
89.02321	0.4
93.03368	0.8
93.06985	0.4
95.04924	0.8
96.95928	0.2
97.02873	0.2
101.02362	0.4
107.04935	0.6
108.02103	0.3
109.02863	7.0
109.06498	4.2
110.03177	0.2
113.02389	0.2
119.04944	4.7
120.05287	0.2
121.02872	6.2
122.03702	1.0
127.07548	0.4
134.03653	0.2
135.04449	7.6
136.04803	0.6
137.06013	34.2
138.06325	0.9
145.02914	0.2
163.03967	0.5
163.11235	0.2
173.04482	0.3
177.01892	1.0
178.02240	0.6
179.03632	1.3
180.03876	0.4
181.05032	100.0
182.05359	3.9
183.41861	0.2
191.05588	1.7
191.07150	0.9
205.08661	0.7
209.11839	0.7
223.06172	0.3
227.12949	0.2
325.09360	1.0
331.19229	7.8
332.19467	0.6
343.10410	37.5
344.10760	3.1
349.20261	1.6
401.77673	0.2
675.30298	12.8
676.30450	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	675.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79411	0.2
54.29967	0.2
56.53983	0.3
59.01264	12.2
61.98714	0.6
69.08939	0.2
71.01264	0.6
71.59418	0.2
71.59826	0.5
81.03308	0.5
85.02830	0.3
89.02357	0.4
93.03368	1.2
95.04940	0.8
96.95914	1.0
101.02396	0.4
103.28548	0.3
107.04944	0.7
108.02072	0.4
109.02863	5.6
109.06499	4.0
110.03242	0.3
111.04414	0.5
113.02360	0.4
116.97768	0.2
117.66659	0.2
119.04941	6.1
121.02875	5.8
122.03736	1.2
127.07604	0.3
133.02875	2.5
134.03644	2.7
135.04457	8.1
136.04781	0.4
137.02400	0.8
137.06013	31.5
138.06366	1.2
145.02867	0.5
153.01924	0.3
155.03429	0.6
160.01620	0.5
161.02394	6.4
162.02837	0.3
163.03973	1.8
167.05376	0.2
173.04497	2.6
175.04022	0.3
177.01935	0.7
179.03497	3.2
181.05029	100.0
182.05380	4.7
191.05563	1.7
191.07162	1.3
193.05017	2.6
195.06621	0.3
205.08647	1.3
223.06075	0.4
278.96881	0.3
294.94193	0.3
299.01840	0.5
313.18341	0.3
325.09262	0.8
331.19193	11.7
332.19583	1.2
337.09140	0.5
339.05014	0.5
342.09015	0.3
343.10406	42.0
344.10736	2.9
349.20303	1.3
353.08789	0.7
362.95407	0.3
499.12570	2.4
500.12976	0.6
529.13806	0.9
601.24103	0.3
631.23657	1.9
639.26587	1.0
675.30334	12.0
676.30969	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24728	0.8
59.01269	10.4
61.98715	4.6
69.31799	8.6
71.01256	2.5
73.02812	1.1
78.95770	0.7
80.04952	8.6
81.03353	1.1
83.04941	0.9
87.00771	0.9
93.03356	2.9
94.02869	2.6
94.06522	1.7
96.95903	3.4
104.04948	2.7
106.06528	3.5
107.03671	4.0
108.04470	4.3
109.02842	0.9
111.04441	1.7
113.02322	0.9
119.04899	2.1
120.04471	2.1
120.08107	1.0
120.29804	0.8
121.02853	1.1
121.05264	1.3
122.06045	28.3
124.03951	4.0
124.07527	0.9
125.02363	3.5
132.04453	2.5
134.06042	4.9
136.03992	5.6
137.04710	2.5
138.05548	4.9
139.02597	1.0
145.03014	0.8
147.05562	2.6
148.03966	2.5
150.05545	11.8
151.07582	13.5
152.07114	36.7
153.01846	0.9
153.07469	1.7
158.02354	0.9
160.04012	1.0
161.03525	1.4
161.04778	1.7
162.05524	0.9
163.03885	1.7
164.07063	1.3
165.46498	0.9
168.06683	1.0
173.04555	2.6
174.05557	3.0
175.05069	3.1
176.05630	0.9
186.12881	1.1
190.05052	2.6
191.05573	8.7
192.06364	0.8
193.05006	0.9
195.06610	31.9
196.06931	1.3
197.07242	0.9
201.10310	16.5
202.10640	1.0
202.12379	1.1
209.08244	1.0
213.10301	10.0
214.11028	0.9
219.06555	5.4
225.10187	1.2
227.11862	4.8
229.09860	17.9
229.13417	6.1
230.13855	0.9
237.07677	2.8
237.10350	2.5
238.10959	1.3
239.11870	7.7
241.09821	3.3
243.11401	1.0
245.13014	11.7
246.13107	1.3
247.10873	2.4
249.06729	1.0
249.10350	1.1
253.09886	1.1
253.13477	1.8
255.11366	7.1
257.13013	5.9
264.09152	0.8
265.09729	3.0
267.11401	2.6
273.12433	5.3
279.11420	1.0
280.08633	0.8
283.10974	0.9
285.12555	1.5
289.12054	6.1
295.10962	4.0
297.12469	2.0
301.12027	17.5
302.12415	2.1
309.12531	2.8
313.12091	5.2
316.10818	1.1
317.11923	1.1
318.12210	1.1
319.13071	74.5
320.13467	6.6
323.10403	5.6
324.10672	1.0
325.11908	2.0
327.13638	3.5
328.14206	1.0
330.12399	2.2
332.14313	1.5
339.09769	1.0
344.10233	1.4
344.14148	1.5
355.12955	4.9
356.14059	1.2
357.11819	8.1
358.12006	2.3
359.12827	1.9
360.13287	0.9
372.13535	2.9
373.14398	1.1
374.15152	9.2
375.15457	2.0
391.15369	4.2
392.16217	10.1
393.16467	1.6
400.12918	1.6
403.15497	1.5
406.17490	0.9
416.16318	6.4
417.16611	1.0
418.13898	2.1
418.59045	0.9
434.17206	5.2
446.17429	2.6
513.19940	5.1
539.22986	3.1
557.24225	16.4
558.24530	1.8
571.25238	1.5
581.23816	4.3
582.24414	1.7
583.22510	1.7
599.25256	70.1
600.25720	13.7
601.23248	1.6
602.23914	2.9
615.24359	1.7
625.23334	1.2
631.24982	3.3
643.24237	100.0
644.24628	21.4
675.26801	43.5
676.27216	8.5
680.88580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.8
59.01263	2.1
60.99182	1.0
67.01779	3.1
69.03342	1.0
71.01270	3.1
71.37810	0.5
72.99215	0.3
73.02837	0.6
81.03362	1.5
83.04916	1.6
85.02843	13.3
86.03182	0.5
87.00771	8.0
93.03361	32.1
94.03678	1.3
96.99212	1.3
99.04417	0.4
109.02847	1.4
111.00806	0.3
111.03718	0.5
111.04430	4.8
113.18416	0.3
115.00277	1.5
115.03908	0.4
117.03387	0.8
119.04944	9.7
120.05284	0.5
123.04448	0.7
127.03934	3.5
128.04216	0.3
129.01857	1.0
130.04192	0.3
131.04964	2.0
133.02882	1.9
133.06569	0.3
134.03635	0.3
137.02365	1.0
143.04965	7.8
144.05284	0.5
145.02893	1.8
145.06572	0.6
150.89204	0.3
153.01834	0.4
155.03441	2.2
159.04495	0.3
160.01646	0.4
163.03964	5.2
164.04340	0.4
171.02960	1.1
171.04475	1.2
173.04510	10.3
174.04872	0.7
191.05585	100.0
192.05907	4.3
200.17052	0.3
210.06833	1.0
211.07640	12.3
212.07968	0.9
221.09633	0.4
223.07579	0.5
235.07684	1.6
237.09219	2.7
239.10883	0.7
247.07600	0.5
261.06107	0.4
265.08762	10.1
266.09100	1.0
283.09793	0.9
289.05621	0.8
291.06604	0.3
309.07755	3.4
310.08221	0.4
327.08804	27.9
328.09082	3.0
337.09451	0.9
358.93243	0.3
390.09021	0.3
463.10880	0.5
483.13043	2.1
484.13550	0.4
492.02222	0.3
501.14120	10.2
502.14594	1.9
511.40463	0.3
548.84930	0.3
657.18805	0.4
675.19458	44.1
676.19696	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	675.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08834	0.4
57.03349	0.5
59.01257	2.1
60.99189	1.5
67.01783	4.7
69.03351	1.3
71.01257	2.4
71.11902	0.8
76.30531	0.4
78.29874	0.5
81.03382	0.9
83.04930	1.4
85.02847	12.1
87.00771	6.8
93.03362	30.8
94.03690	0.6
96.99161	0.5
99.04417	0.6
108.00824	0.5
109.02865	1.1
111.04414	4.1
117.03382	1.4
119.04947	10.0
120.05262	0.6
127.03973	3.0
131.04958	0.9
133.02895	0.8
137.02388	0.6
137.48294	0.5
140.48788	0.4
143.04965	3.8
145.02895	4.1
155.03426	1.1
163.03969	5.2
170.09851	0.4
171.02946	0.8
171.04527	0.8
173.04518	8.0
191.05592	100.0
192.05894	4.2
193.04599	0.5
196.97336	0.5
211.07663	2.7
221.09846	0.5
223.07692	0.8
235.07690	0.9
237.09290	2.1
247.07607	0.8
265.08792	3.5
266.08969	0.6
283.09921	0.6
309.07816	1.1
327.04922	0.9
327.08829	15.4
328.09119	1.8
337.09387	8.0
338.09927	0.7
395.32642	0.5
406.41293	0.4
483.12943	1.7
501.14145	12.9
502.14420	2.4
557.92761	0.5
675.19507	33.3
676.19824	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	675.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.3
59.01266	1.1
60.99179	0.7
67.01772	1.4
69.03341	0.4
69.64297	0.8
71.01268	1.2
73.02821	0.2
81.03353	0.6
83.04918	0.6
85.02841	7.6
86.03201	0.2
87.00768	3.6
93.03359	12.9
94.03687	0.5
98.20516	0.2
99.00774	0.2
99.04430	0.4
104.55801	0.1
109.02859	0.8
111.00771	0.2
111.04432	2.7
113.02329	0.2
115.00279	0.1
115.03925	0.2
119.04943	5.3
120.05280	0.2
125.02349	0.1
127.03934	2.0
128.04285	0.1
129.01869	0.4
131.05035	0.1
132.05765	0.1
137.02348	0.5
143.04932	0.5
145.02876	0.4
145.06577	0.1
155.03416	1.0
163.03958	4.8
164.04263	0.2
171.02969	0.6
171.04309	0.1
173.04507	7.4
174.04858	0.3
191.05580	100.0
192.05923	3.8
196.08237	0.1
211.07646	0.8
223.07628	0.4
237.09219	1.2
238.09795	0.1
239.10776	0.3
265.08728	0.9
283.09827	2.1
284.10214	0.2
309.07745	0.4
327.08786	6.3
328.09137	0.8
337.09369	1.6
338.09833	0.1
457.15012	0.3
462.62070	0.1
483.13129	0.6
488.92438	0.1
501.14139	7.5
502.14508	1.3
657.18268	0.3
675.19452	17.4
676.19830	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	675.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.6
59.01269	1.5
60.99187	1.1
64.14474	0.2
67.01772	2.4
69.03350	0.6
69.82664	0.5
69.83083	1.0
71.01266	1.5
73.02839	0.6
78.95810	0.3
79.62663	0.2
81.03348	0.9
83.04915	1.2
85.02847	9.6
85.03365	0.5
86.03185	0.4
87.00777	4.4
93.03361	18.5
94.03712	0.4
96.96849	0.3
99.00790	0.3
109.02857	1.1
111.04429	3.5
112.37831	0.2
117.03400	0.7
119.04947	14.6
120.05280	0.6
127.03929	2.7
129.01863	0.7
131.04942	0.4
137.02362	0.4
139.42694	0.2
143.04936	1.2
145.02887	1.4
145.06573	0.3
155.03467	1.5
163.03960	11.4
164.04269	0.5
164.63324	0.2
171.02962	0.7
171.04399	0.4
173.04509	10.0
173.82747	0.3
174.04915	0.7
180.13457	0.3
191.05582	100.0
192.05927	3.9
197.09500	0.3
211.07634	0.7
221.09694	0.3
223.07613	0.7
237.09201	1.9
238.09784	0.4
239.10779	1.0
250.32025	0.2
253.08702	0.4
265.08673	1.3
266.09308	0.3
283.09882	2.0
284.10260	0.3
309.07861	0.8
327.08804	12.9
328.09207	1.2
333.05951	0.5
337.09351	4.4
338.09692	0.4
457.15109	1.0
483.13168	1.8
501.14120	12.0
502.14203	1.6
512.28314	0.3
559.36938	0.3
605.69843	0.3
657.18634	0.5
675.19446	33.8
676.19824	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	675.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40541	0.1
57.03332	0.4
59.01262	1.2
60.99192	1.2
63.46233	0.1
65.03864	0.1
67.01774	3.6
68.02139	0.1
69.03342	1.1
69.32304	0.1
71.01264	1.7
71.57358	0.1
73.02837	0.1
74.87012	0.1
78.95786	0.1
81.03354	1.0
83.01292	0.1
83.04919	0.8
85.02840	7.4
86.03175	0.2
87.00772	5.5
88.01123	0.2
93.03358	22.9
94.03676	0.6
97.02837	0.2
98.16976	0.1
99.00771	0.4
99.04408	0.5
101.02332	0.1
106.54057	0.1
109.02875	0.9
111.00790	0.1
111.04427	3.5
113.02357	0.3
115.00320	0.1
115.03876	0.2
117.03359	0.4
119.04942	6.1
120.05269	0.3
121.29799	0.1
125.02383	0.2
127.03929	1.8
129.01039	0.1
129.01851	0.8
131.04959	0.2
134.03622	0.1
135.89549	0.1
137.02383	0.5
143.03439	0.1
143.04962	0.4
145.02873	1.4
155.03426	1.0
159.04308	0.1
163.03952	5.3
164.04279	0.2
171.02988	0.6
173.04512	6.7
174.04836	0.2
175.04010	0.1
191.05579	100.0
192.05920	3.8
201.03958	0.2
209.39703	0.1
210.06923	0.2
211.07626	0.6
226.82349	0.1
237.09247	0.5
257.92169	0.1
261.06177	0.2
265.08771	0.3
272.41550	0.1
283.09683	0.6
308.04041	0.1
309.07755	0.1
327.08844	2.4
328.09149	0.4
337.09348	19.3
338.09647	1.8
415.24255	0.1
437.11398	0.2
483.13162	0.3
501.14249	1.3
540.60687	0.1
675.19421	18.1
676.19910	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	675.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
59.01257	2.1
60.99192	0.4
67.01776	1.2
68.99702	0.2
69.03336	0.7
69.22568	0.3
69.22963	2.0
70.34059	0.1
71.01269	1.6
72.99188	0.4
73.02839	0.4
75.55659	0.2
76.13343	0.2
81.03366	0.6
83.04916	0.6
85.02848	10.0
86.03157	0.2
87.00774	3.8
89.02348	0.4
91.01777	0.2
93.03359	10.7
94.03687	0.3
94.50168	0.2
95.01279	0.2
96.95911	1.0
97.02843	0.3
99.00771	0.4
99.04430	0.6
101.02345	0.3
108.02077	0.2
109.02880	1.1
110.46707	0.2
111.00785	0.4
111.04440	2.6
112.61155	0.2
113.02368	0.6
117.03394	1.2
119.04948	5.3
120.05280	0.2
121.02865	0.4
122.32844	0.2
127.03939	2.4
127.10286	0.2
129.01849	0.3
133.02858	0.2
134.03671	0.7
135.04498	0.4
137.02399	0.7
143.04953	0.3
145.02887	3.5
146.03387	0.3
152.01091	0.4
153.01857	0.4
155.03433	0.7
158.03706	0.3
159.04494	0.6
163.03973	3.4
164.04286	0.2
171.02933	0.8
173.04523	5.1
173.06024	0.3
174.04906	0.2
175.03926	0.4
178.02718	0.2
191.05589	100.0
192.05927	4.3
193.05025	0.8
201.04041	0.8
203.03540	0.2
211.07579	0.2
223.07683	1.2
224.08189	0.3
230.07243	0.2
237.09222	0.2
241.05032	0.4
247.07683	2.0
248.07965	0.4
261.06229	1.1
262.37961	0.2
265.08777	0.4
271.09598	0.2
281.08310	0.3
283.09888	0.3
291.06656	0.3
295.06061	0.2
309.07794	1.1
310.08371	0.3
319.07892	0.2
327.08557	1.3
328.09027	0.2
337.09363	3.7
338.09772	0.3
369.09970	0.3
387.10977	0.5
483.13022	4.8
484.13129	0.8
496.53543	0.2
501.14090	1.7
631.26752	0.2
675.19427	24.1
676.19806	5.6
676.28839	0.2
681.50580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89194	0.1
57.03346	0.2
59.01255	1.1
67.01791	0.6
69.03350	0.3
69.84004	0.7
71.01272	0.7
71.25096	0.2
73.02836	0.3
81.03344	0.2
83.04948	0.2
85.02842	5.4
86.03191	0.2
87.00775	1.6
93.03361	4.6
96.85663	0.1
97.49374	0.2
98.20444	0.2
99.00822	0.1
99.04461	0.2
101.02386	0.2
109.02882	0.6
111.04458	1.1
115.00318	0.2
119.04963	0.6
127.03937	1.4
128.67966	0.1
133.02954	0.1
135.04453	0.2
138.47763	0.1
145.02870	0.7
152.01158	0.2
153.01810	0.2
155.03482	0.3
161.02322	0.2
163.03966	1.2
171.02974	0.4
173.04498	2.4
191.05585	100.0
192.05930	4.2
210.06926	0.2
211.07607	0.3
265.08746	0.3
327.08722	0.7
337.09363	20.9
338.09637	2.2
339.05121	0.2
344.43112	0.2
463.11026	0.2
483.13120	0.2
501.14136	0.2
594.17334	0.2
675.19330	5.1
676.20190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41029	0.4
54.62293	0.4
59.01263	2.5
60.99196	0.8
67.01779	1.9
69.03331	0.5
71.01275	1.9
71.57856	0.7
78.61742	0.4
78.95773	0.6
81.03350	0.7
82.85023	0.5
85.02843	7.8
85.03298	0.7
87.00764	3.7
90.58065	0.5
93.03362	14.4
99.00819	0.5
109.02853	1.0
111.00815	0.7
111.04427	1.9
117.03345	0.5
119.04960	5.8
127.03943	1.6
130.55898	0.4
134.03708	1.0
145.02808	2.1
146.95459	0.4
150.44691	0.5
152.23708	0.5
155.03419	1.6
158.03748	0.4
160.01733	0.5
163.03972	7.0
173.04521	7.0
175.04005	1.2
183.71909	0.5
191.05592	100.0
192.05931	3.6
193.05128	0.6
201.04030	1.5
223.07555	0.5
237.09148	0.9
261.06088	2.7
265.08932	0.6
271.09793	0.6
283.09802	2.1
284.10370	0.8
309.07822	0.7
310.08450	0.6
327.08759	5.0
337.09503	5.4
437.10886	1.0
483.13345	2.3
501.14133	8.3
502.14691	0.7
527.72119	0.5
587.17450	0.5
592.80103	0.5
675.19470	31.2
676.19781	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57499	1.3
51.68713	1.2
56.94089	1.6
59.01263	37.3
69.03342	9.2
71.01254	3.8
71.59560	2.2
74.98127	1.2
81.03356	3.6
83.01266	3.3
83.04941	2.1
85.02859	7.3
87.00776	12.3
93.03354	13.5
95.04951	2.8
96.95912	2.3
97.02848	8.4
97.81965	1.3
108.02084	1.6
109.02850	14.8
111.00798	11.5
111.04428	2.7
113.02338	1.9
117.03388	2.6
119.04930	7.0
121.02871	4.8
125.02431	1.8
127.03905	1.5
129.01842	4.8
132.02119	9.8
133.02855	3.8
134.03665	64.6
135.04509	6.2
137.02367	10.8
139.03911	3.8
141.01833	6.7
145.02902	7.1
146.03716	2.6
147.04497	1.5
149.06029	17.5
150.06371	1.7
152.01088	3.5
153.01851	3.0
153.74695	1.3
155.03436	1.7
155.04565	3.4
158.03667	2.0
159.04456	5.4
160.01610	61.0
161.02010	2.4
163.03941	11.2
171.02957	1.8
173.04517	7.5
175.03964	100.0
176.04326	5.2
178.02681	27.8
179.03391	1.9
183.02908	4.4
191.05589	52.5
192.05885	2.0
193.05035	79.1
194.05389	3.6
195.06557	5.4
201.04016	60.2
202.04353	2.9
219.05042	10.2
225.05519	3.7
235.04030	6.9
241.05042	5.8
243.05133	11.7
243.09242	1.3
253.05098	10.8
254.05658	3.0
256.07452	5.3
261.06201	55.8
262.06531	3.6
265.07263	1.9
266.05951	1.8
267.06693	1.9
268.07443	24.0
269.08191	12.8
271.09842	14.2
272.10101	1.8
281.08203	1.9
283.09839	59.2
284.10526	19.7
285.11060	4.4
295.06131	2.6
297.11404	6.6
299.09760	2.0
299.12833	9.0
310.08505	1.9
325.10883	8.3
327.08606	3.1
337.09430	7.0
343.11948	4.3
357.12009	3.5
369.09985	4.3
377.08691	6.2
387.10876	11.5
437.10986	80.5
438.11481	9.4
527.15649	8.1
545.16876	4.0
573.36365	1.4
587.17462	10.6
622.74158	1.5
631.16748	11.8
675.17810	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	675.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59869	1.1
54.85532	1.1
55.01763	1.3
57.03339	1.4
59.01267	43.5
65.00199	2.2
69.03346	17.1
69.49218	11.0
71.01267	8.7
72.99204	2.1
73.02831	1.5
81.03346	2.4
83.01266	6.8
83.04915	2.1
85.02851	4.6
87.00771	9.6
91.01792	5.5
93.03361	7.7
95.01306	2.0
95.04921	4.9
96.95908	3.6
96.99211	4.5
97.02859	15.5
99.00786	1.9
101.02351	1.2
108.02106	2.8
109.02871	7.6
111.00792	21.3
111.04425	3.4
113.02367	2.2
115.00265	6.7
119.04909	2.0
121.02851	3.0
123.00849	1.7
123.04433	7.9
127.03890	1.7
129.01878	2.6
133.02913	3.0
134.03661	4.3
135.04498	2.2
139.00301	1.4
139.19116	1.3
141.01849	11.8
145.02884	13.2
146.03685	14.8
147.04138	1.6
148.01582	2.5
148.05296	1.5
149.02364	1.3
150.03136	1.2
151.00383	1.4
157.05032	1.8
158.03683	19.3
159.04468	25.2
160.01596	2.6
160.04951	1.9
161.02319	1.5
161.06001	5.2
163.03954	5.5
173.04506	4.5
173.06056	5.3
174.03146	2.5
175.04019	1.4
178.02678	1.3
179.03453	2.6
182.89876	1.4
183.02936	1.9
187.04018	2.1
191.05580	25.8
193.05032	3.2
201.04030	63.3
202.04384	2.1
213.05579	3.0
219.05112	5.9
221.06059	1.3
224.04718	1.7
234.80064	1.4
239.07230	2.2
241.05070	14.7
242.05374	1.8
243.05150	15.4
249.05666	1.7
250.06421	1.6
251.07143	2.3
252.08067	1.5
256.07498	10.7
261.06207	100.0
262.06543	6.3
266.05920	14.6
267.06635	12.9
268.07343	4.4
269.08163	4.1
271.09814	15.3
272.10175	1.7
277.05154	4.4
278.05603	1.9
280.03961	1.2
280.07626	3.6
281.08228	22.7
282.09009	7.9
283.09653	6.2
284.10477	3.6
285.11328	2.3
293.08209	1.7
294.05585	1.8
295.06210	23.3
295.09515	2.2
297.11374	6.4
298.08572	1.9
309.07700	3.5
310.08539	17.6
311.09079	2.9
313.10773	2.2
325.10840	25.4
326.11313	2.8
337.09689	1.6
337.85410	1.3
339.05035	4.1
354.07428	3.3
359.06253	6.9
369.09866	38.0
370.10229	3.5
387.10944	34.0
388.11203	3.1
527.15979	1.6
545.15881	2.1
587.17804	4.6
631.16876	24.8
632.17468	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.3
58.00488	2.8
59.01263	74.3
61.98715	5.7
67.45612	1.1
69.03333	8.3
71.01270	68.7
71.04912	1.5
71.57556	1.5
72.99199	3.8
73.02837	14.0
75.00764	4.0
81.03349	3.8
82.03666	1.4
83.01283	2.6
83.04910	2.1
85.02836	11.8
87.00784	1.8
89.02338	100.0
90.02706	1.3
93.03376	2.9
95.01295	2.2
97.02835	7.5
99.00783	24.2
99.04482	1.7
101.02348	38.5
109.06515	1.9
113.02350	11.1
115.03918	5.7
119.03446	2.5
125.02373	36.6
126.02640	1.5
127.03910	1.4
127.70786	1.2
131.03407	16.1
133.02876	3.7
135.04448	4.9
135.98282	1.4
143.03419	5.4
149.04501	59.6
152.00989	1.3
161.02403	5.7
161.04489	3.1
163.11311	2.7
165.12868	1.3
173.04506	2.7
177.01898	16.5
178.02272	6.4
179.02173	2.0
179.03708	5.9
181.05013	6.2
191.05571	20.8
199.13283	1.5
199.22299	1.2
207.10275	3.8
208.10608	2.6
209.11829	17.3
210.12219	4.1
211.12350	1.7
221.06558	5.9
225.11424	2.8
226.11641	1.7
227.12912	6.4
233.06703	17.7
251.07883	3.0
275.07791	5.0
275.23810	11.7
293.08841	98.1
294.09177	6.7
299.24002	1.3
300.31256	1.3
311.09854	9.2
312.85770	1.4
319.22842	36.9
320.23264	4.9
323.18692	3.7
343.22717	3.2
361.23956	3.4
373.24081	5.8
374.24072	1.3
471.34991	1.8
537.77014	1.3
556.26953	1.7
608.29639	11.8
609.90277	1.5
610.25806	2.5
613.32367	2.5
637.31244	1.6
655.33020	2.1
673.32745	2.5
674.32043	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	673.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94282	0.1
57.03336	0.2
59.01269	2.1
61.98703	0.4
69.64154	1.0
71.01277	1.9
73.02837	0.4
80.02570	1.2
81.03344	1.1
81.47186	0.2
83.01284	0.3
83.04917	4.3
84.02064	0.9
85.02844	0.7
87.00775	0.5
89.02336	1.2
93.03353	0.4
95.04925	0.6
97.02872	0.2
97.06501	0.1
99.47319	0.1
101.02361	1.7
106.04037	0.4
108.01943	0.2
109.02863	0.2
109.06489	0.3
113.02374	0.9
119.03442	0.3
125.05988	0.2
125.09660	0.3
133.02975	0.1
135.04498	0.2
135.08078	0.6
143.03423	0.3
145.05008	0.4
147.11763	0.3
150.06784	0.4
161.04501	0.7
163.07610	0.2
163.11232	3.3
164.11607	0.2
165.12811	2.4
166.13260	0.2
171.10213	1.9
180.11136	0.2
181.12323	0.9
185.11818	0.2
191.05585	0.6
191.10811	1.1
203.19960	0.2
209.11823	100.0
210.12155	6.6
216.99040	0.1
221.11801	0.4
227.12894	13.0
228.13239	0.7
235.08263	1.7
247.13376	0.9
253.09325	5.4
254.09622	0.3
265.14490	0.4
419.24225	0.2
445.20941	0.9
511.35794	0.3
611.30798	0.3
637.32147	0.7
655.33325	0.5
672.40472	0.4
673.41150	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.2
57.03347	0.1
58.00491	0.2
59.00990	0.2
59.01266	2.3
60.92069	0.1
61.00367	0.1
61.98708	0.3
63.85816	0.1
67.54858	0.1
71.01273	1.9
71.04905	0.1
71.60324	0.1
71.60712	0.1
72.99197	0.1
73.02837	0.4
73.64950	0.1
80.02574	1.1
81.03357	1.1
81.11862	0.1
83.01274	0.4
83.04917	4.5
84.02064	0.8
84.05258	0.1
85.02837	0.5
87.00770	0.4
89.02338	1.3
93.03377	0.5
95.01285	0.1
95.04928	0.6
96.95910	0.1
97.02881	0.2
97.06492	0.3
101.02348	1.6
107.04959	0.1
109.02810	0.2
109.06509	0.3
113.02374	1.4
119.03401	0.4
119.04916	0.2
121.02870	0.6
123.08098	0.2
125.02381	0.2
125.05960	0.5
125.09676	0.3
134.03629	0.2
135.04448	1.3
135.08089	0.5
136.04784	0.4
136.08421	0.1
137.05997	0.5
143.03456	0.3
145.04997	0.2
147.11754	0.3
149.09599	0.2
161.02437	0.1
161.04494	0.6
161.19414	0.1
161.20824	0.1
163.11235	3.7
164.11563	0.2
165.12813	2.2
171.10248	1.7
173.04524	0.3
177.01909	0.2
178.02667	0.1
179.03461	1.0
179.04854	0.1
179.05646	0.2
180.03809	0.5
181.03661	0.1
181.05070	1.6
181.08676	0.6
181.12343	0.6
185.11864	0.1
191.05598	0.8
191.10786	0.9
195.06541	0.2
204.14236	0.1
207.10208	0.3
208.36067	0.1
209.11824	100.0
210.12155	6.3
221.08859	0.1
221.11884	0.3
225.11386	0.2
227.12903	13.1
228.13200	0.8
235.08267	1.7
247.13411	1.1
253.09332	5.6
254.09512	0.2
265.14490	0.4
329.17517	0.6
341.09076	0.2
342.09293	0.2
343.10431	0.6
347.18716	0.1
356.68845	0.1
401.23236	0.3
419.24564	0.1
437.25580	0.1
445.21042	0.9
446.20889	0.1
463.22012	0.2
522.74341	0.1
611.30902	0.2
629.30975	0.2
637.32397	0.7
638.32635	0.1
645.85095	0.1
655.33466	0.3
665.16290	0.2
673.27417	0.4
673.41803	0.2
696.68970	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	673.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.1
59.01500	0.3
61.98709	1.3
71.01275	1.4
71.58807	0.7
73.68095	0.3
75.28196	0.3
75.28668	0.3
78.95788	0.8
81.03357	0.3
85.02837	1.2
87.00746	0.7
89.02361	0.5
92.26407	0.4
93.03349	1.3
95.01273	1.0
96.95908	2.3
97.02850	0.8
101.02355	0.5
109.02855	1.7
118.94566	0.4
123.00799	4.5
125.02402	0.7
127.07584	0.7
128.33720	0.3
133.02921	0.8
134.03641	1.1
135.04446	22.6
135.08075	0.4
136.04767	0.8
136.07542	0.4
137.02357	1.4
138.03172	2.4
145.02905	0.6
151.07570	0.6
152.99475	0.5
153.05521	0.7
161.02374	2.4
161.04411	0.5
161.05925	0.3
163.03941	2.5
164.04738	95.4
165.05084	3.9
166.99791	4.0
171.10228	0.7
173.04507	1.3
177.05492	0.4
178.29164	0.4
179.03792	3.4
179.07098	100.0
179.24101	0.4
180.03949	0.5
180.07448	4.7
181.05032	1.2
182.02182	11.7
183.02548	0.7
189.12801	1.1
191.05565	4.9
191.07132	2.8
192.05815	0.4
195.06583	1.6
197.04527	23.7
198.04829	1.1
205.08743	2.1
209.11836	1.8
219.02843	0.5
221.08134	0.7
227.12856	0.5
297.09909	1.4
313.18185	7.6
314.18488	0.7
314.55154	0.4
323.11307	0.4
331.19226	17.9
332.19525	1.2
337.03543	0.4
341.09320	0.9
341.12488	18.9
342.12845	1.5
344.26279	0.4
345.90433	0.4
349.20349	2.3
353.09006	0.6
363.46634	0.4
373.20218	0.6
390.83105	0.4
451.23483	0.7
611.28571	1.9
673.33362	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	673.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91767	0.2
59.01264	1.1
61.98726	0.5
63.63418	0.2
68.86816	0.2
71.01267	0.3
71.05162	0.3
78.95805	0.4
85.02831	0.2
93.03385	0.4
96.95915	0.7
97.02840	0.2
108.33141	0.2
111.04414	0.3
119.04915	0.2
121.06450	0.2
121.81830	0.2
123.08068	0.2
127.07585	0.6
133.02887	0.3
134.03764	0.2
135.04414	0.5
135.08087	0.9
137.02382	1.2
145.02832	0.2
161.02399	0.4
161.09612	0.2
163.03976	1.7
163.11215	0.4
164.04738	94.4
165.05063	4.7
171.10210	0.5
173.04584	0.2
177.05620	0.3
179.07098	100.0
180.07437	5.0
181.07503	0.2
182.17265	0.2
191.05566	1.4
191.07138	1.7
195.06622	0.5
204.40460	0.1
205.08754	1.0
209.11880	0.7
221.08170	0.3
223.13338	0.2
269.19150	0.2
313.18082	0.3
323.11499	0.7
331.19226	13.0
332.19659	1.3
340.27975	0.2
341.12469	20.6
342.12881	1.7
343.68393	0.2
349.20267	3.1
350.20587	0.2
453.46585	0.2
673.32605	3.3
674.32672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05429	0.2
57.03338	22.5
59.01274	1.3
61.98717	0.9
69.03345	0.3
71.01269	0.5
71.59318	0.4
71.59705	0.4
72.99200	17.1
77.64811	0.3
78.95796	0.6
83.01299	0.4
85.02866	0.4
93.03376	1.3
96.95906	1.0
97.02856	0.4
101.02344	0.3
102.37253	0.3
107.04949	0.7
109.02862	2.5
113.02420	0.3
120.53832	0.3
121.02872	24.0
122.03196	0.7
123.04449	6.0
125.02402	0.5
127.07581	0.4
133.02875	1.1
134.03680	0.8
135.03419	0.6
135.04454	12.7
135.36600	0.3
137.06000	0.5
151.00311	0.4
151.03946	0.7
153.01886	1.9
161.02403	2.7
161.04514	0.3
164.04729	0.6
173.04506	0.4
177.05536	0.3
179.03561	12.5
179.07098	100.0
180.03801	0.7
180.07437	5.4
191.05582	1.9
191.07135	1.3
197.04536	19.3
198.04890	1.1
201.01740	0.3
205.08640	0.9
221.08189	0.5
287.22559	0.3
290.36185	0.3
299.02078	0.3
313.18167	0.6
329.17661	0.7
331.19223	12.8
332.19525	1.2
341.12463	16.9
342.12756	1.0
349.20248	2.3
359.09897	12.1
360.10187	0.9
398.91904	0.4
482.39514	0.3
517.20691	0.8
608.29431	0.4
610.69757	0.3
613.35956	0.4
638.08307	0.3
673.28662	14.1
674.29449	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	673.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91962	0.4
57.03315	0.5
58.00488	0.4
59.01265	14.1
61.98717	13.4
69.03323	0.6
69.27760	4.6
71.01269	12.5
72.99217	0.8
73.02834	1.7
74.98969	0.6
75.00755	0.6
78.95795	1.7
81.03365	0.6
83.01279	1.0
83.04900	1.1
85.02853	6.0
87.00780	1.2
88.98669	0.9
89.02336	8.2
93.03355	1.6
95.01269	1.8
95.77936	0.4
96.95913	2.8
97.02869	2.4
97.06472	0.9
101.02356	5.9
109.02831	1.1
111.04430	1.0
111.08036	0.6
113.01632	0.6
113.02366	9.3
117.48448	0.4
119.03440	2.2
119.04941	0.9
123.08132	0.6
125.02360	1.7
127.07571	8.8
128.28064	0.4
129.16783	0.6
131.03456	0.7
133.02899	1.4
134.03690	1.3
135.04462	5.6
137.02376	1.4
139.03958	0.5
143.03438	0.7
145.02916	0.9
147.08073	0.6
149.04471	0.7
151.00294	1.0
152.01031	0.5
152.99576	0.8
160.01634	0.7
161.02405	3.5
161.04521	5.4
161.09634	1.1
162.02643	0.6
163.11195	2.0
167.10786	1.1
173.04500	1.8
175.03984	0.8
179.03479	4.5
179.05562	6.3
179.10649	0.6
180.03830	0.5
181.12228	1.0
191.05554	7.0
191.07135	4.3
193.04977	0.7
197.11792	0.9
199.03917	1.0
199.13379	1.5
205.08728	3.0
209.11816	14.7
210.12161	1.0
215.03587	0.5
221.06627	1.4
221.08530	0.5
227.03461	0.6
227.12935	3.2
243.03008	1.3
253.09291	0.9
255.03094	0.7
269.19150	2.3
271.02509	7.4
272.02826	1.4
285.55731	0.4
287.20297	2.8
299.02023	14.9
300.02612	3.8
301.03253	1.0
305.21317	19.1
306.21838	2.3
313.03912	0.7
313.18304	2.4
314.03757	0.4
324.46078	0.5
331.19208	26.5
332.19623	2.3
339.05054	0.6
340.09674	0.5
347.18604	0.9
349.20276	100.0
350.20627	13.5
353.08795	1.0
373.20438	0.9
380.38705	0.5
391.20880	0.6
403.14359	0.7
420.87778	0.6
445.21210	0.6
613.31195	2.2
643.22540	0.5
673.30951	16.6
674.31659	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	673.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53135	0.3
55.01765	0.4
57.03320	0.4
58.00482	0.3
59.01268	16.1
61.98714	0.5
66.36879	0.3
69.03343	0.3
69.72464	2.1
71.01271	11.2
71.04869	0.3
72.99186	0.7
73.02839	1.9
74.14494	0.3
74.60770	0.3
75.00790	0.3
83.01298	0.6
85.02857	3.1
87.00772	1.4
89.02341	11.9
93.03371	0.4
95.01295	0.9
97.02850	1.7
97.06481	0.6
101.02354	11.9
107.03329	0.3
113.02361	4.5
115.27431	0.3
119.03430	5.2
119.04934	1.2
123.08101	1.5
125.02402	2.2
127.07575	8.2
131.03433	0.9
135.04401	0.4
136.05202	0.4
136.56578	0.3
136.57613	0.3
137.02420	0.3
143.03448	1.9
147.08083	2.0
148.91098	0.3
149.04514	0.4
161.04533	3.4
161.09694	1.8
163.03996	0.9
163.07574	0.4
163.11224	3.4
165.09192	0.8
173.04503	0.5
179.05580	14.0
179.10696	0.3
180.05922	0.8
181.05064	0.3
191.05609	1.8
191.07118	22.4
192.07457	1.3
203.14413	0.3
205.08699	15.3
206.09180	1.7
207.10249	0.5
209.11871	0.3
221.06390	2.6
221.08269	1.2
269.19150	1.1
285.18600	0.4
287.20245	0.3
290.63474	0.3
305.08801	0.5
305.21344	0.3
313.18143	2.4
323.09912	0.9
331.19235	100.0
332.19568	11.9
349.20291	38.1
350.20651	4.7
373.19931	0.4
391.21494	0.3
511.25690	0.6
547.25476	0.4
631.86395	0.3
673.30353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15965	0.2
59.01276	1.5
60.86134	0.2
61.98721	0.9
64.75345	0.2
70.44200	0.2
71.01275	0.9
71.58649	0.4
72.99210	0.3
73.02841	0.4
81.03374	0.2
83.01265	0.2
83.04958	0.3
85.02849	0.4
87.00790	0.5
89.02356	0.4
93.03366	0.6
93.32358	0.2
95.01269	2.0
96.95918	2.0
97.02863	0.5
99.00780	0.2
101.02370	0.4
107.00064	0.2
107.04928	0.5
108.02045	0.2
109.02865	5.4
113.02364	0.3
122.03648	0.3
123.00805	12.4
123.04469	0.2
133.02870	0.7
134.03680	2.8
135.04454	100.0
136.03815	0.3
136.04794	3.9
137.02376	1.1
138.03165	7.1
139.03865	0.4
149.02336	0.3
151.00308	0.2
153.01862	0.3
153.05530	2.8
161.02420	0.8
163.03891	0.2
164.04715	0.4
165.01895	0.2
166.99815	14.2
167.03423	0.6
168.00180	0.4
173.04521	0.9
177.01906	0.3
178.02649	0.5
179.03494	0.4
179.07056	0.3
181.01425	0.4
181.04982	0.4
181.12407	0.3
182.02185	36.2
183.02577	1.4
189.12820	2.8
190.13245	0.3
191.05605	1.7
191.07132	0.5
197.04541	68.4
198.04884	3.3
199.13354	0.3
205.08693	2.0
206.09113	0.3
207.10301	0.3
209.11847	4.0
210.12163	0.4
227.12891	0.9
253.09273	0.4
269.19208	0.4
271.08279	0.5
289.72101	0.2
297.09882	8.9
298.10129	0.8
313.18176	21.2
314.18494	2.7
331.19257	1.3
359.09930	0.9
497.03772	0.2
527.18164	0.2
576.18579	0.6
577.18848	0.3
611.28748	9.0
612.29059	1.4
673.27216	1.3
674.29993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59686	0.3
59.01265	15.7
61.98718	13.3
69.03345	0.4
71.01275	1.6
71.04897	1.0
71.63093	0.5
73.02824	0.6
80.04951	0.5
81.03339	0.9
82.04524	0.3
83.04926	0.7
85.02843	1.4
87.00780	1.9
87.17089	0.4
89.02361	0.5
93.03363	2.0
95.04936	1.0
96.95947	0.8
97.02873	0.7
99.00802	0.4
101.02315	0.7
107.04967	1.1
108.02068	0.8
109.02863	6.2
109.06510	4.3
111.00804	0.4
111.04420	0.6
113.02409	0.9
119.04950	5.9
120.05326	0.6
121.02871	6.3
122.03667	1.2
122.06026	1.9
123.08080	2.8
132.02127	0.6
133.02890	1.7
134.03703	3.0
134.06009	0.5
135.04460	7.7
136.04768	0.5
137.02394	0.8
137.06023	34.2
138.06369	1.2
147.04462	1.2
149.06075	0.4
150.06775	1.1
150.68915	0.4
151.07179	0.3
152.07117	2.9
158.03705	2.9
160.01634	2.7
161.02373	2.3
161.04509	0.4
163.03984	1.2
163.07614	0.4
164.53363	0.4
173.04698	0.7
173.06065	3.0
175.03979	3.6
177.01842	1.3
178.02362	0.8
179.03606	1.7
179.10793	0.7
179.77187	0.4
180.03909	0.5
181.05046	100.0
182.05408	4.7
183.02689	0.4
189.09215	0.7
191.05592	3.4
191.07166	1.3
193.05022	2.0
199.13251	0.4
201.04042	1.7
205.08731	2.1
209.11833	6.9
210.12218	0.4
213.10342	0.6
217.05066	3.1
219.14029	0.4
227.12949	2.9
228.13309	0.5
253.09361	0.6
285.12576	1.1
293.09464	0.9
295.10953	0.7
323.10242	0.6
325.09363	1.0
329.17654	17.8
330.18109	2.0
337.08194	0.4
343.10413	38.8
344.10648	3.7
347.18732	5.8
348.18921	0.8
349.09329	2.9
358.15533	0.6
419.09982	1.7
504.17480	0.5
510.35550	0.9
518.19385	0.9
550.22382	1.4
565.24792	2.6
567.15240	3.1
602.27100	0.4
609.23840	1.8
641.26447	3.7
642.26776	1.0
672.40601	1.2
673.28900	8.3
673.40991	2.7
674.29443	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	673.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.0
56.60770	1.1
59.01280	6.1
61.53222	1.0
61.98722	31.2
71.01266	3.5
71.38486	2.0
72.99203	74.7
73.02825	1.4
73.99573	1.3
78.95798	1.5
85.02839	1.7
89.02324	1.4
93.03348	2.3
95.04908	1.2
96.95900	4.4
97.36762	1.1
99.04379	1.1
101.02339	1.1
104.23238	0.9
106.06536	1.2
107.04944	1.6
109.02847	2.4
109.65630	1.1
113.02347	1.7
121.02850	2.0
123.04452	23.0
125.02392	1.4
133.02870	1.5
134.03671	3.8
134.06038	3.3
135.04462	51.5
135.08049	1.7
135.12872	1.3
136.04817	1.8
137.02448	1.3
151.00267	2.0
151.03952	3.0
151.07693	1.0
153.01837	2.0
161.02472	1.7
171.10368	1.3
172.95906	1.0
173.04503	2.5
178.02686	1.1
178.99994	1.5
179.03476	51.2
179.07011	6.9
180.03804	2.7
180.07402	1.2
188.53477	1.1
191.05602	7.1
197.04546	100.0
197.11723	1.5
198.04942	5.8
202.83351	1.1
207.10239	2.3
209.11821	12.1
210.12186	1.7
211.13248	1.2
227.12912	2.8
231.57013	1.1
253.09302	1.1
257.12921	1.6
313.18170	2.3
331.18979	1.5
333.82373	1.0
341.08688	2.1
341.12375	1.5
347.18033	1.0
359.09937	61.0
360.10294	5.1
379.26678	1.1
381.10992	2.3
409.13406	1.8
439.32532	1.1
527.18347	1.5
591.83362	1.2
613.35974	1.4
673.28790	74.1
674.29242	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	673.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62035	0.2
57.03341	0.3
59.01262	12.5
61.98720	1.3
71.01259	0.3
71.04906	1.4
78.91771	0.4
78.95789	0.4
80.04926	0.5
81.03341	0.3
85.02847	0.4
93.03387	1.1
95.04934	0.7
96.95927	0.5
97.02817	0.4
101.02364	0.3
104.04932	0.3
107.03665	0.4
107.04943	0.7
108.02045	0.5
109.02856	6.5
109.06496	4.0
118.84586	0.3
119.04943	4.7
120.05318	0.3
121.02874	6.1
122.03711	1.1
122.06042	3.7
123.08083	2.9
133.02888	1.6
134.03607	0.8
134.06035	1.1
135.04448	8.6
136.04767	0.6
137.06013	32.5
138.06369	1.3
150.06793	0.5
151.07208	0.4
152.07111	4.4
158.03580	0.2
160.01593	0.3
160.06285	0.3
161.02376	4.6
161.70386	0.2
162.02776	0.3
163.04007	0.3
163.07622	0.3
173.04607	0.4
174.05542	0.3
175.04036	0.5
177.01974	0.3
177.05554	0.3
178.02721	0.2
179.03447	2.9
180.03810	0.6
181.05029	100.0
182.05362	4.4
188.07127	0.6
189.09161	0.5
191.05563	1.4
191.07143	1.5
192.07420	0.3
193.05124	0.3
195.06653	0.3
205.08667	1.5
209.11748	0.3
213.10365	0.8
223.06161	0.4
225.10194	0.4
229.44466	0.3
239.11911	0.9
241.13522	0.6
245.12944	0.5
250.07550	0.4
251.08374	0.3
251.12114	0.3
253.09775	0.3
265.09799	0.4
267.11395	0.3
271.02460	0.5
278.07227	0.4
279.07870	0.4
279.11429	0.4
285.12442	2.0
293.09396	1.6
293.12506	0.3
294.10046	0.5
295.10889	1.1
299.02097	0.9
307.10843	0.6
313.03598	0.6
313.12494	0.3
323.10541	0.5
325.09424	0.8
329.17648	16.7
330.17892	1.8
337.08475	0.8
338.08951	0.3
341.08789	0.4
343.10400	39.7
344.10724	3.5
347.18661	5.0
348.19147	0.4
358.15869	0.8
400.16797	0.9
412.16669	0.4
446.21594	0.3
459.18246	0.6
460.18973	1.0
474.20724	0.4
503.17435	0.5
504.17926	1.2
505.19128	0.4
518.19226	1.8
519.19958	0.4
550.22003	2.4
551.22198	0.6
565.24701	4.1
566.24957	1.1
597.27753	0.6
609.23419	2.2
610.24261	0.6
615.20984	0.3
641.26392	7.0
642.26807	1.7
672.40942	0.8
673.29034	9.6
673.40906	1.6
674.29443	2.8
696.75360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91860	0.3
59.01263	13.4
61.98708	0.8
70.86540	0.3
71.01268	2.0
71.04910	1.6
71.57420	0.5
73.02845	0.5
78.95799	0.5
79.38591	0.2
81.03350	0.6
85.02843	1.1
89.02351	0.5
93.03397	1.4
95.01297	0.3
95.04928	1.0
96.95927	1.3
97.02798	0.6
101.02345	0.9
105.03381	0.5
107.04944	1.0
108.02110	0.3
109.02871	6.9
109.06508	4.3
110.03293	0.3
113.02371	0.8
117.03462	0.4
119.04950	5.0
121.02874	6.8
122.03650	0.9
123.04424	0.4
123.08080	4.2
127.07582	0.6
132.02100	0.4
133.02881	6.5
134.03638	0.7
135.04451	18.3
136.04799	0.8
137.02394	1.3
137.06018	28.5
138.06328	1.4
145.02882	0.4
146.03677	1.2
147.04140	0.5
148.05261	0.6
149.02371	0.3
149.06018	1.2
160.01529	0.4
161.02391	18.3
161.09500	0.3
162.02750	0.7
163.04002	0.5
164.04756	0.7
165.05257	0.3
171.10179	0.3
173.04523	0.8
175.03917	0.6
177.00314	0.4
177.01903	14.4
177.05511	3.4
178.02242	6.7
179.03537	15.6
179.07053	1.2
180.03804	0.7
180.07381	0.7
181.05031	100.0
182.05380	4.4
189.09181	0.9
191.05563	2.8
191.07143	2.9
203.03505	0.7
205.08678	3.1
206.09082	0.4
207.10258	0.3
209.11832	3.2
210.12093	0.4
219.13905	0.4
221.04568	5.0
221.08177	0.4
222.04913	0.5
223.06142	0.4
227.12816	2.0
233.04605	0.5
251.05659	5.5
263.05594	0.4
271.02573	0.6
281.06714	8.0
282.06961	0.8
283.02655	0.4
297.94580	0.3
299.02075	1.0
300.02719	0.4
303.19629	0.7
305.06924	0.4
313.03625	1.2
314.04166	0.5
315.04993	0.3
323.07776	13.2
324.08173	0.9
325.09393	0.9
329.17667	22.4
330.17972	3.1
331.19113	1.8
337.03696	0.4
340.07663	0.8
341.04504	0.4
341.08804	12.9
342.09235	1.0
343.10413	15.4
344.10745	1.2
347.18750	6.5
348.19092	1.3
349.20178	1.0
385.14404	0.3
411.16730	0.4
503.19434	0.3
547.18280	0.5
627.83875	0.3
673.28455	8.5
674.29114	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	673.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82129	0.2
59.01255	1.0
60.74424	0.2
61.61964	0.2
71.01266	0.9
71.28659	0.2
71.28977	0.3
85.02847	0.4
89.02333	0.8
91.05466	0.2
93.03342	0.4
96.95908	0.7
97.02893	0.4
101.02351	0.3
106.04161	0.2
107.04933	0.8
113.02354	0.3
117.03374	0.3
121.02910	0.4
127.07543	0.4
133.02882	0.6
134.03661	3.1
135.04449	89.6
136.04784	4.1
149.05981	0.5
161.02417	1.0
166.76987	0.2
177.01944	1.0
178.02507	0.3
179.03461	100.0
180.03802	4.6
191.05583	0.9
191.07118	0.4
205.08658	0.5
207.10260	0.2
209.11784	0.6
225.11356	0.3
313.18204	0.6
323.07770	1.4
329.17325	0.2
331.19385	1.0
341.08829	26.0
342.09222	1.7
349.20370	0.3
353.60501	0.2
355.43484	0.2
423.53043	0.2
446.03299	0.2
451.16058	0.5
471.34683	0.2
622.29108	0.4
629.29779	0.4
673.28809	27.9
674.29437	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	673.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23355	0.5
54.39021	0.5
59.01270	6.0
61.98720	6.3
66.00380	0.4
69.03352	0.9
69.85526	3.2
71.01269	5.7
73.02841	1.7
75.00743	0.7
78.95808	0.7
83.01314	1.0
85.02846	2.3
87.00772	0.8
89.02325	2.6
93.03384	1.4
95.01284	0.7
96.95917	0.7
97.02871	0.8
97.06505	0.5
99.00782	0.8
101.02348	3.2
101.22607	0.4
107.04893	0.7
109.02854	1.4
111.00764	0.6
113.02367	2.1
119.03387	0.8
121.02882	1.0
123.04436	0.6
123.08077	0.8
125.02377	0.6
127.07566	1.6
132.02133	1.0
133.02885	24.9
134.03751	3.0
135.04454	70.6
136.04765	2.7
137.02388	2.6
139.03954	0.8
147.04465	0.8
148.05241	1.7
149.06036	7.0
150.06503	0.5
150.63983	0.5
159.04456	1.0
161.02399	100.0
162.02728	9.7
166.13185	0.6
175.03999	1.7
177.01868	1.6
177.05534	19.0
177.07100	1.0
178.02710	1.6
178.05832	0.7
179.03470	80.1
180.03821	3.0
181.05063	1.2
185.11861	0.8
191.03888	0.4
191.05566	2.8
191.07138	1.8
195.06709	0.8
203.03494	2.9
205.08739	1.6
207.10237	0.7
209.11861	8.1
210.12120	0.7
220.03915	0.9
221.04562	28.6
222.04810	1.5
227.12846	1.8
233.04591	1.8
251.05678	30.9
252.06015	2.8
253.09453	0.8
263.05774	1.6
280.05920	0.9
281.06741	42.8
282.07025	2.6
287.05850	0.6
291.19714	0.7
292.20041	0.6
293.20612	0.7
305.06696	1.5
311.08188	0.7
312.98117	0.5
313.18167	0.7
323.07791	68.6
324.08234	5.8
331.19189	5.7
338.51883	0.5
341.08847	71.6
342.09247	6.0
349.20288	2.3
547.50897	0.7
610.26044	11.2
611.26526	1.0
641.22876	1.2
673.28925	11.3
674.29834	3.8
697.55817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.3
59.01267	3.6
61.98719	3.4
67.01782	0.3
71.01273	3.0
72.99205	0.5
73.02862	0.5
75.00760	0.4
75.62502	0.2
81.03365	0.4
83.01311	0.5
83.04939	0.8
85.02865	1.2
87.00780	0.8
89.02354	1.2
93.03370	0.8
95.01283	0.5
95.04900	0.3
96.95901	0.5
97.02840	1.3
99.00799	0.7
101.02371	1.1
107.04940	0.9
108.02090	0.5
109.02885	2.1
109.06539	0.5
113.02334	1.5
119.03487	0.4
120.02094	0.6
120.90796	0.3
121.02878	0.9
122.03758	0.4
123.04402	0.4
125.02325	0.3
127.03952	0.3
127.07572	0.5
131.03387	0.3
133.02908	0.7
134.03690	2.0
135.04453	100.0
136.01605	0.9
136.04784	4.2
137.02383	6.2
138.03162	1.1
151.03949	0.9
153.05527	8.0
154.05907	0.4
161.02394	1.1
163.11266	0.5
173.04547	0.7
177.01939	1.8
178.02281	0.6
179.03493	2.2
181.05215	0.3
183.13766	0.3
189.12828	3.9
191.05563	1.6
191.07137	1.0
195.06577	0.4
197.11722	0.4
205.08725	2.8
207.10265	1.7
208.10600	1.2
209.11876	5.2
210.12099	1.5
211.12332	0.5
225.11238	0.9
226.11566	0.5
227.12889	1.0
250.15608	0.4
253.09370	0.6
269.19055	0.8
283.17181	0.5
313.18167	14.2
314.18451	1.9
323.07840	0.4
329.17548	0.6
331.19141	1.6
341.08615	0.5
355.19125	0.7
359.09940	8.4
360.10110	1.0
381.11047	0.7
389.20624	0.5
391.97485	0.3
411.25430	0.5
463.21371	0.4
471.34891	0.4
535.25696	0.5
551.26367	0.4
601.28326	0.4
610.25623	0.3
622.29034	0.5
655.32471	0.5
673.28497	13.3
674.31006	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2364
Annotation	CHEBI:72479
Peak:m/z	Relative Intensity
57.03340	0.9
59.01269	7.6
63.38848	0.3
69.03343	0.7
69.70667	0.8
69.71069	2.0
69.85425	0.3
71.01261	2.5
72.99208	1.0
73.02839	1.7
74.03193	0.4
75.00771	0.4
78.86257	0.3
78.95792	5.1
81.03345	0.4
83.01282	0.9
84.50143	0.4
85.02841	2.9
85.61733	0.4
87.00776	1.1
87.18343	0.4
89.02346	0.9
93.03356	1.6
95.01300	1.0
96.95930	0.7
96.96859	3.6
97.02898	0.7
98.19875	0.6
99.00773	0.6
101.02348	1.5
108.02082	49.1
109.02901	10.4
113.02373	2.4
119.04945	0.8
121.02892	0.7
123.00826	0.6
123.04451	0.7
127.03941	0.5
130.55643	0.4
133.02878	0.7
134.03685	1.9
135.04442	1.7
137.02386	0.9
139.10146	0.7
139.11220	9.8
145.02866	0.6
148.97443	0.4
149.02365	0.4
149.06036	0.4
151.03932	0.7
152.01097	100.0
153.01833	6.7
160.01611	0.6
161.02373	0.7
161.04547	0.8
163.03957	4.9
163.11212	0.4
165.01837	0.4
173.04489	1.5
175.03964	1.3
177.01883	1.4
179.03450	1.5
181.12294	4.7
183.10246	9.0
191.05634	3.0
193.01465	0.4
193.05083	1.7
199.13376	1.4
207.02858	0.5
211.07628	3.1
225.11360	2.9
233.09525	5.9
234.09807	0.7
243.12366	5.4
243.63722	0.4
297.06189	0.7
311.11383	1.9
315.07309	2.4
373.13022	0.5
429.10461	10.9
430.10800	1.1
447.11325	0.9
577.99744	0.4
613.21674	1.4
629.24609	3.4
630.25482	0.6
655.22296	1.2
673.23651	89.7
674.24023	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	673.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.6
59.01273	1.1
59.43707	0.2
62.70153	0.2
65.00195	0.3
67.01796	0.2
67.76077	0.2
69.03355	0.3
69.34854	1.0
69.35276	1.1
69.67371	0.2
71.01278	1.4
75.07632	0.2
81.03358	3.2
83.01302	0.8
85.02863	0.6
85.06480	0.6
87.00759	0.3
87.04417	0.3
89.02338	0.5
93.03383	0.9
95.04904	0.3
97.02850	0.4
101.02359	0.3
107.01316	0.4
109.02879	0.3
109.06506	2.3
111.00838	0.3
111.04425	4.0
113.02392	0.4
119.04951	0.8
121.02880	0.3
122.03629	1.4
123.04461	0.3
123.08106	0.4
125.02374	8.9
126.02746	0.2
127.07579	1.2
135.04489	0.3
137.02373	0.5
139.00351	0.4
139.03949	0.3
145.02882	0.3
149.02380	1.2
149.06088	0.2
151.00362	0.9
151.07597	33.9
152.01096	0.3
152.07986	1.3
153.05527	0.3
161.02444	0.6
163.03955	0.9
163.07584	0.3
164.49715	0.2
165.05556	0.5
167.03549	0.3
171.06615	0.8
173.04582	0.5
175.00313	0.6
177.05530	2.0
179.03453	0.4
179.07039	0.4
191.05606	2.3
191.07185	0.7
192.91588	0.2
193.08633	0.3
194.05827	0.4
195.06616	100.0
196.06961	5.0
207.06642	0.7
208.07443	0.3
209.08177	2.0
219.06633	17.9
220.07007	1.1
237.07704	7.0
238.08250	0.4
249.07706	1.9
261.07675	0.5
297.09903	0.4
315.10971	1.7
323.80814	0.2
339.11099	0.3
357.12012	24.6
358.12320	2.1
419.11627	0.3
493.17044	0.7
493.24097	0.4
511.18365	13.0
511.25330	0.8
512.18695	1.5
535.18433	0.6
673.23547	11.2
674.24054	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11249	0.3
59.01266	6.2
61.98717	21.7
71.01271	6.2
71.58443	0.4
71.58854	0.6
73.02845	1.7
75.23185	0.3
75.69559	0.3
78.95800	1.3
81.03360	1.0
85.02839	1.4
87.00762	0.6
89.02342	7.3
93.03373	1.0
96.95951	0.5
97.02844	1.2
99.00799	3.0
101.02351	2.9
105.03375	0.9
113.02353	1.6
117.03361	1.8
119.03432	1.0
122.06091	0.6
125.02408	1.3
131.03430	1.3
132.02090	1.5
133.02879	29.1
134.03670	1.0
135.04453	14.9
137.06042	2.7
143.03445	0.3
149.04478	1.6
152.07109	0.6
152.99538	0.7
160.01611	0.5
161.02390	100.0
162.02742	5.1
164.13663	0.4
173.04500	0.6
175.03983	0.4
177.01892	8.6
178.02214	2.9
179.03464	8.1
180.03886	0.6
181.05031	8.8
191.05586	5.0
191.07147	0.6
205.08684	0.4
207.10268	1.3
208.10483	0.4
209.11797	2.9
209.33293	0.4
210.12233	1.1
215.79582	0.3
225.11336	0.8
226.11615	0.4
227.13020	0.6
243.12390	0.4
255.23288	0.4
293.08960	1.6
294.09558	0.4
314.04016	0.5
319.22806	0.5
329.17636	2.8
339.07294	0.8
340.07666	0.5
383.12140	0.4
439.61517	0.3
477.99402	0.4
503.17212	0.7
518.18146	0.4
540.39594	0.4
609.25629	69.9
610.25928	13.0
610.35455	0.7
640.25806	1.0
672.27643	2.0
673.29913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.1
59.01265	6.4
61.98716	22.7
71.01271	6.9
71.54417	0.5
73.02839	1.5
75.00764	0.4
78.95782	0.4
83.01290	0.7
85.02831	2.0
87.00784	0.5
89.02336	5.5
93.03367	0.7
95.01285	0.4
95.02541	0.3
97.02874	0.6
99.00780	1.8
101.02345	3.5
105.03375	0.7
107.04953	0.4
109.02890	0.3
109.06502	0.5
109.62512	0.3
113.02370	2.4
115.01807	0.3
117.03375	1.6
118.96134	0.3
119.03437	1.2
121.02856	1.6
131.03413	0.4
132.02106	1.4
133.02879	30.8
134.03586	1.5
135.04443	22.8
136.04855	0.5
137.02353	1.0
137.05991	0.4
149.04494	0.8
149.06018	1.0
161.02386	100.0
162.02734	4.4
163.03899	0.4
165.12740	0.4
171.10248	0.4
173.04556	0.6
177.01906	1.2
177.05493	2.0
178.02512	0.6
179.03459	16.8
179.07025	2.9
180.03792	1.0
180.07245	0.7
181.05003	2.2
191.05574	5.0
193.04979	0.4
207.10269	0.6
209.11778	4.5
210.12161	0.5
221.04514	3.0
225.11430	0.8
226.11743	0.3
227.12871	0.6
251.05687	3.9
281.06754	5.2
291.19836	1.9
292.20108	1.9
323.07751	7.6
329.17615	0.5
331.19202	0.8
341.08853	7.1
341.12524	0.3
343.10641	0.6
347.18753	0.4
388.37561	0.4
447.22318	0.5
609.25623	69.7
610.25909	10.7
612.30548	2.0
672.29968	1.5
673.29071	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13869	1.3
55.07410	1.7
59.01270	5.5
62.10501	1.4
70.36012	5.4
71.01257	3.2
72.99213	1.6
95.01230	1.4
96.95911	1.6
107.01331	2.0
109.02866	3.2
121.02860	2.3
135.04478	3.8
136.98711	1.7
137.02367	2.4
149.02441	2.0
151.00314	10.1
152.01033	2.1
161.02422	3.6
163.00397	2.5
178.99818	5.4
179.03464	3.1
191.05624	6.6
193.05026	1.9
194.00934	2.2
226.02576	1.8
227.03554	3.9
243.03009	6.2
254.02199	2.1
255.03040	20.9
256.03400	2.3
271.02551	39.9
272.02994	2.2
299.02048	2.1
300.02844	76.5
301.03543	31.4
353.08786	1.7
392.38361	1.6
401.07642	1.7
524.69611	1.6
533.10956	1.7
609.14764	100.0
610.15155	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	672.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10925	0.3
57.03337	4.1
58.19305	0.3
59.01264	4.5
61.98720	41.4
71.01270	3.4
71.59717	0.4
73.02843	1.1
78.95817	0.4
83.01250	0.5
85.02857	1.2
87.00793	0.7
89.02338	3.0
89.03855	0.6
91.05407	0.8
93.03384	0.9
95.01305	0.5
95.48390	0.3
96.95927	1.6
99.00803	1.0
101.02316	1.7
102.63722	0.3
105.03294	0.3
107.04930	2.9
108.02081	1.0
109.02885	0.6
109.63396	0.3
113.02386	1.1
117.03381	1.4
119.03436	0.5
121.02875	4.8
123.04447	0.7
132.02106	0.9
133.01848	0.6
133.02890	17.6
134.03697	8.0
135.04453	100.0
136.04782	3.8
149.06053	0.5
150.06819	4.0
151.07161	0.9
152.01117	0.7
161.02397	48.1
162.02744	2.9
163.07597	0.8
164.08354	0.7
171.20396	0.3
173.04535	0.4
176.08243	0.5
177.01874	0.5
178.09892	0.3
179.03473	53.8
179.07066	15.4
179.10657	1.0
180.03734	2.1
180.79155	0.3
191.05618	2.6
191.07233	0.6
205.08675	0.7
209.11806	2.7
227.12813	0.4
267.62711	0.3
299.01990	0.4
313.03616	0.7
321.09000	0.5
329.23303	0.4
331.19238	4.1
341.08823	0.6
341.12332	2.2
385.45029	0.4
448.32300	0.5
449.32651	0.5
463.34219	1.0
464.34485	0.6
491.33441	0.4
509.34995	2.5
510.35168	1.8
609.25635	87.6
610.26013	15.9
641.23065	0.4
671.40063	7.5
672.40570	6.4
673.29333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4031
Annotation	Guineamide D
Peak:m/z	Relative Intensity
50.51899	0.3
57.03337	0.8
59.01268	3.2
61.98725	0.8
69.03335	0.4
71.01273	1.8
73.02856	0.4
78.11535	0.3
78.70342	0.2
78.95796	0.3
79.44762	0.2
83.04909	0.3
84.02058	0.2
85.02841	1.7
87.00768	0.6
89.02345	1.0
93.03362	1.7
94.03726	0.3
95.04950	0.3
96.48892	0.2
96.95918	0.5
97.02853	0.4
99.00733	0.2
99.04421	0.5
101.02357	0.9
107.04963	0.3
108.02043	0.3
109.06480	0.5
111.04421	0.5
111.08126	0.3
113.02372	0.6
113.06010	0.8
119.03468	0.5
119.04974	0.8
121.02872	0.7
122.29936	0.3
123.04475	0.3
124.87582	0.3
127.11193	0.5
133.02914	0.6
135.04440	4.6
135.08107	0.7
136.05246	0.6
137.02399	1.5
137.06003	0.5
137.09659	0.5
138.02783	0.5
139.03949	9.5
140.04260	0.8
149.06021	4.9
150.06812	38.2
151.07190	1.5
155.10670	0.5
161.09665	0.8
162.06828	0.7
163.03955	0.5
163.07596	10.0
163.11261	0.8
164.08391	5.8
165.08806	0.3
169.12201	0.3
171.10242	0.5
173.04581	0.4
176.08363	2.2
177.01892	4.9
177.09175	1.2
178.02234	0.9
178.09950	3.7
179.03491	3.8
179.10733	11.2
180.11049	0.4
181.05028	0.3
191.05612	2.4
192.06039	0.3
193.08704	0.3
207.10312	1.3
208.24625	0.3
209.11829	3.2
225.11293	2.0
227.12950	0.7
253.09245	0.4
265.21924	0.7
283.23074	0.3
285.20877	0.3
301.09277	1.5
327.25433	1.1
329.13815	0.3
329.17569	0.8
329.23376	4.4
331.19199	1.1
341.08884	0.6
347.18723	0.3
430.30969	0.9
445.33261	0.8
446.34140	0.6
448.32013	8.1
449.32336	1.1
461.20612	0.5
462.33575	1.5
463.34390	9.8
464.34741	1.7
472.32159	0.3
490.33313	2.7
491.33963	2.8
492.33737	0.3
508.34216	3.8
509.34952	26.0
510.35397	4.6
583.24396	0.4
603.75006	0.3
611.35071	0.4
629.36023	0.6
633.29224	1.0
635.30548	0.8
649.25958	0.8
653.31830	0.7
671.40289	100.0
672.29614	0.7
672.40662	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	671.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03339	0.8
58.00484	0.6
59.01266	10.6
61.98712	1.1
65.03861	0.3
67.01765	0.4
69.03340	0.6
69.43682	0.5
69.44090	2.3
71.01272	7.1
71.04906	0.7
72.99194	0.3
73.02855	1.7
80.02563	2.3
81.03352	3.8
83.01285	0.9
83.04919	8.1
84.02049	1.5
85.02856	2.6
87.00760	1.7
89.02345	4.1
93.03365	1.9
95.01289	0.7
95.04939	1.5
96.95889	0.6
97.02844	6.2
97.06490	0.8
98.20493	0.7
99.00765	1.7
101.02360	5.6
106.04140	0.7
107.04925	1.1
108.02068	0.6
109.02886	0.4
109.06503	25.5
110.03643	1.5
110.06846	0.4
111.04447	0.9
113.02368	2.9
119.03403	0.9
119.04932	0.3
119.59241	0.3
121.02828	0.3
121.06511	2.0
123.08072	0.9
125.02393	0.4
125.06012	1.0
125.09650	3.2
127.07571	0.5
127.11265	0.4
133.02838	0.8
133.75706	0.3
134.03685	0.6
135.04439	1.1
135.08080	4.0
136.05232	1.2
137.02295	0.4
137.09630	0.4
142.02657	1.9
145.04997	0.8
145.10213	0.4
147.07967	0.3
147.11768	0.4
148.05199	0.3
151.07649	0.5
153.12906	0.3
161.02454	0.8
161.04510	2.4
161.09668	1.3
163.11238	18.9
164.11536	0.7
165.12793	2.9
171.10236	3.4
175.07735	0.3
175.11185	0.4
177.01924	2.8
179.03487	0.6
179.05597	0.6
179.10806	0.6
180.03995	0.3
181.12309	4.3
182.12656	0.4
185.11804	3.1
187.09663	0.7
189.09198	1.6
189.12839	0.5
191.05669	1.7
191.10745	1.5
195.06580	0.4
197.11882	0.4
201.11325	0.5
205.12340	0.5
207.10258	65.0
208.10614	4.0
209.11824	100.0
210.12164	5.5
213.09317	0.5
217.12303	1.0
219.09979	0.4
221.11830	1.1
223.13388	0.9
225.11334	30.0
226.11687	1.9
227.12898	13.9
228.13194	0.6
231.10268	0.9
235.08263	3.6
235.13480	0.7
243.12418	0.8
245.11818	0.8
247.13475	1.1
249.11316	1.5
253.09312	10.1
253.11909	0.6
263.12964	1.5
265.14465	0.8
281.14169	0.5
293.09290	0.3
299.15240	0.8
312.12686	0.4
313.18179	0.8
318.71396	0.4
355.22937	0.5
373.20038	0.6
373.24203	0.8
381.20654	0.6
389.23352	0.5
399.21829	5.6
400.22092	0.7
405.17725	0.5
407.24637	0.5
417.22900	5.0
418.23264	0.6
435.23965	1.1
441.16623	0.4
443.19382	3.3
445.20844	0.4
461.20386	10.8
462.20627	1.1
467.18652	0.4
485.21136	0.8
491.26416	0.5
499.22141	0.6
609.29376	0.5
625.32349	0.5
627.30402	0.8
635.30847	12.8
636.31012	2.0
653.31891	14.8
654.32538	2.8
671.33105	28.2
672.23792	0.2
672.33527	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	671.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.7
57.03336	1.7
58.00469	1.3
59.01268	19.7
59.28712	0.5
61.98717	1.9
69.03342	2.3
69.43378	3.6
69.43796	1.4
71.01272	23.8
72.99196	3.9
73.02838	10.2
75.00783	1.3
81.03344	1.3
83.01279	4.5
83.04920	1.9
85.02842	10.9
87.00774	2.0
89.02345	10.6
89.03859	1.4
92.45752	0.5
93.03371	0.9
95.01296	1.9
95.04942	0.6
96.95908	0.7
97.02853	23.5
97.03484	1.3
97.06518	0.6
99.00771	6.3
99.04417	0.8
101.02349	18.5
105.03333	1.6
109.02879	1.1
109.06506	4.8
111.00779	1.0
112.77405	0.5
113.02352	6.3
115.03933	1.0
119.03435	1.1
123.04424	0.6
125.02366	2.7
125.09625	1.0
131.03424	1.6
133.02911	4.9
134.06071	0.7
135.04482	4.6
135.08119	0.6
137.02368	1.4
143.03418	1.4
149.04485	2.0
161.02371	1.9
161.04497	2.3
163.11198	3.9
165.12787	0.7
167.30327	0.6
171.10204	1.2
176.01042	0.5
177.01894	77.0
178.02249	3.6
179.03488	5.5
179.05080	0.7
179.05551	0.7
180.14716	0.5
181.12282	1.0
191.05617	2.8
197.04108	0.6
200.30014	0.6
207.10260	14.9
208.10675	0.6
209.11821	27.2
210.12115	1.3
225.11340	11.0
226.11650	0.6
227.12912	4.2
233.06618	1.4
243.12434	0.9
253.09273	2.2
275.15015	1.4
293.08948	0.9
313.18320	0.9
317.21353	1.1
331.19135	1.1
335.21750	0.8
339.07297	1.8
355.22989	0.7
399.21823	1.5
407.19067	1.0
417.23254	0.9
443.19498	1.1
461.20358	4.2
479.26529	7.7
497.27899	1.2
564.54205	0.7
609.25629	1.5
611.30865	100.0
612.31232	15.7
635.30713	2.7
653.32123	4.5
671.26801	5.1
671.33142	3.9
672.27649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08344	0.2
57.03338	0.8
58.16325	0.2
59.01271	0.6
61.98720	0.5
65.00221	0.8
69.03352	0.3
69.46632	0.7
69.47056	1.2
71.01281	0.6
74.21812	0.2
78.95799	1.2
80.02575	0.3
81.03353	4.6
83.01283	0.8
85.06474	1.1
87.04422	0.7
91.81258	0.2
93.03357	0.3
95.01326	0.2
95.04935	0.4
97.02859	0.6
99.04454	0.2
102.03433	0.2
107.01315	0.6
109.02856	0.4
109.06508	3.2
111.04430	4.4
111.05150	0.4
111.66000	0.2
119.42802	0.2
121.02900	0.3
122.03668	1.9
123.00790	0.2
123.04443	0.6
124.01569	0.2
125.02374	6.9
125.03262	0.5
126.02737	0.3
127.07600	0.3
131.01239	0.2
133.02820	0.2
135.04424	0.3
137.02371	0.3
139.03940	0.7
144.46849	0.2
148.02838	0.2
149.02371	1.3
151.00362	1.1
151.07588	39.4
152.01088	0.4
152.07962	2.3
152.99513	0.6
153.05522	0.5
161.02341	0.2
163.07625	0.4
165.05540	0.6
167.03499	0.2
171.10240	0.2
175.00336	0.7
177.05545	0.8
179.03378	0.3
179.07092	0.7
189.12885	0.3
191.05563	0.3
191.07076	1.3
194.05835	0.5
195.06604	100.0
196.06950	5.0
201.05446	0.4
205.08745	0.4
207.06592	0.8
208.07440	0.4
209.08192	2.3
219.06627	25.2
220.07021	1.7
221.08176	0.4
237.05283	0.5
237.07697	9.0
238.08093	0.3
249.07681	2.0
255.23187	0.3
276.16483	0.3
297.10046	0.3
313.18164	3.9
314.18451	0.4
321.09540	0.3
339.10928	0.3
357.11981	17.9
358.12329	1.7
373.73962	0.2
608.48901	0.2
653.71722	0.3
671.30853	12.3
672.30969	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	671.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.9
61.09413	0.1
61.98705	0.5
63.62203	0.1
66.35605	0.1
67.46466	0.1
71.01263	0.4
71.04910	2.0
71.58937	0.2
74.07464	0.1
78.95802	0.9
83.04971	0.2
85.02853	0.4
86.74789	0.1
87.00800	0.2
93.03355	0.6
93.39865	0.1
96.95889	0.9
97.02903	0.3
101.02328	0.2
108.00598	0.1
109.02879	0.4
109.06520	0.2
113.02364	0.3
117.03372	0.2
119.04927	0.6
121.06535	0.2
123.08067	4.0
124.08438	0.2
127.07525	0.3
133.02881	0.3
135.04449	0.8
135.08109	1.1
137.02368	1.4
145.02863	0.2
152.99556	0.4
161.02373	0.7
161.04501	0.2
163.03972	2.5
163.11235	0.2
164.04738	99.0
165.05072	4.5
173.04543	0.4
177.05585	0.1
179.07095	100.0
180.07433	4.8
189.09126	0.9
191.05556	1.2
191.07124	2.5
195.06650	0.2
196.39752	0.1
203.07169	0.2
205.08667	2.4
206.09271	0.2
207.10301	0.4
209.11824	0.5
219.13895	0.4
221.08104	0.3
225.11301	0.4
231.14043	0.3
245.11847	0.2
255.23264	0.9
263.13040	0.4
267.47235	0.1
279.23450	0.3
283.41388	0.1
284.93784	0.1
285.18576	0.2
299.02005	0.2
303.19769	0.4
315.67419	0.1
323.11398	0.2
329.17639	18.9
330.17990	2.0
341.12466	13.4
342.12781	1.0
345.20432	0.2
347.18707	9.6
348.18979	1.2
353.09122	0.2
391.22632	0.3
642.01569	0.2
671.31244	1.3
672.31287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85329	0.1
55.23059	0.1
57.03328	0.6
59.01265	0.4
65.00219	0.4
67.01790	0.1
69.03355	0.1
69.79290	0.1
70.81063	0.2
70.81428	0.2
78.95843	0.1
81.03349	3.9
83.01287	0.7
83.19699	0.1
85.06495	0.6
87.04416	0.4
95.04951	0.1
97.02843	0.2
97.43867	0.1
106.43893	0.1
107.01273	0.6
107.04930	0.1
108.02137	0.1
109.06502	2.4
111.04435	3.1
121.02919	0.1
121.06496	0.1
121.65276	0.1
122.03663	1.3
122.97211	0.1
123.04436	0.2
123.08095	0.3
125.02367	5.1
126.02722	0.2
127.07590	0.3
133.06528	0.2
149.02376	0.4
149.05991	0.1
151.00323	1.0
151.07590	25.3
152.01089	0.1
152.07907	1.0
153.05493	0.3
167.03461	0.2
177.05591	0.8
189.12848	1.5
191.07104	0.6
195.06609	100.0
196.06950	4.7
205.08679	1.0
207.10222	0.2
209.11852	0.3
219.06638	0.5
237.07683	0.9
238.08138	0.1
269.19214	0.2
313.18167	12.1
314.18521	1.1
339.10883	0.2
357.11978	5.6
358.12292	0.4
427.50928	0.1
643.32605	0.1
671.31378	0.7
672.31104	0.1
676.06201	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	671.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12379	0.3
51.08429	0.3
57.03330	0.3
59.01264	18.6
61.98721	1.0
71.01273	1.2
71.58681	0.7
78.95781	1.6
81.03329	0.7
83.04890	0.5
85.02866	0.8
93.03343	1.5
96.95912	3.7
96.96864	0.4
97.02866	0.8
97.06513	0.4
99.04427	0.4
108.02059	2.3
109.02901	0.5
109.06522	0.4
111.04435	0.5
114.57842	0.3
119.04939	2.4
121.02876	1.8
122.03649	1.5
123.04456	3.0
123.08094	0.3
124.01604	1.0
125.02359	0.5
133.02850	1.7
134.03642	1.0
135.04456	10.9
136.05234	10.1
137.02341	0.9
141.01633	1.2
149.05989	0.6
150.03154	1.0
151.03957	2.3
151.07597	3.2
152.99513	1.0
161.02403	2.6
161.09627	0.5
164.04742	4.7
165.05284	0.3
173.04501	0.7
173.09743	0.8
175.03975	0.3
177.02054	0.4
177.05588	0.4
179.03470	1.1
179.07106	4.5
182.21948	0.3
187.11250	1.1
189.05487	0.4
189.12833	16.2
190.13171	0.9
191.05554	5.2
191.07155	2.9
195.06606	83.7
196.06937	5.0
205.08699	11.7
206.09016	1.1
209.11908	1.6
210.12131	0.4
221.08334	0.6
223.13440	0.5
225.11362	0.7
243.13982	0.4
251.16415	0.5
255.23329	1.8
269.19220	2.6
271.02243	0.5
279.23349	0.4
288.56458	0.3
313.18164	100.0
314.18472	10.2
331.19257	3.1
357.11996	3.7
358.12375	0.6
375.06979	0.5
391.22275	0.5
635.30829	0.4
671.31146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.3
59.01268	5.5
60.99193	0.2
61.98714	0.6
66.25511	0.2
68.99716	0.2
69.03352	0.3
69.52765	0.3
69.53171	1.2
71.01280	1.4
72.99205	5.7
73.02859	0.5
78.95793	0.3
85.02846	1.0
87.00783	0.5
89.02344	0.8
93.03353	1.3
95.01304	0.4
95.04865	0.2
96.88923	0.2
96.95909	1.1
97.02866	0.3
99.00787	0.4
101.02363	0.9
105.03385	0.3
108.02081	0.5
109.02885	0.4
111.04408	0.2
113.02384	1.4
119.04951	26.0
120.05284	1.2
121.02879	100.0
122.03200	3.6
123.04402	0.2
131.03476	0.3
133.02864	1.1
134.03662	0.4
135.04437	0.8
136.05231	0.6
137.18831	0.2
143.04927	0.3
145.02892	0.5
149.02376	0.2
149.04442	0.3
149.06012	0.2
151.07570	0.4
153.12805	0.2
155.10709	0.2
161.02368	0.7
161.04533	0.4
163.03972	4.1
164.04301	0.4
165.09145	0.3
173.04521	0.6
175.03949	0.3
177.01865	0.5
178.02647	0.4
179.03455	0.7
180.04245	0.3
181.05009	1.6
183.13881	3.0
184.14226	0.4
191.05586	2.5
191.07158	0.3
192.05956	0.3
195.06606	1.1
195.13890	2.5
210.90518	0.2
213.14969	15.2
214.15286	1.0
225.11372	0.2
283.02628	0.3
325.09277	0.5
343.10187	0.5
357.12024	0.2
373.45480	0.2
397.11526	4.2
398.11786	0.5
413.14505	1.1
414.79770	0.2
415.12549	6.1
416.12604	0.7
439.12347	0.5
457.13571	5.9
458.13580	0.6
475.14664	3.1
476.15048	0.4
509.30814	0.3
574.17212	0.4
611.27551	0.5
671.29169	28.0
672.29578	5.0
672.40155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28145	0.4
55.01762	1.2
56.10172	0.4
57.03345	3.3
59.01263	13.1
59.50953	0.4
60.99176	0.9
61.42116	0.4
61.98705	0.6
68.99710	0.7
69.03343	0.5
69.35787	4.2
71.01270	24.0
72.99198	4.8
73.02834	2.8
75.00763	19.4
83.01275	2.4
85.02843	25.4
86.03119	0.5
87.00779	6.7
88.98701	3.6
89.02334	5.7
93.03366	0.9
95.01290	2.5
96.95914	1.1
97.02856	2.7
97.49065	0.4
99.00782	7.0
101.02331	5.0
103.00245	0.8
108.02082	0.4
109.02840	1.2
111.00781	1.1
113.02356	24.2
115.00266	1.9
117.01829	1.8
119.03389	0.6
125.02344	0.8
126.49033	0.5
129.01826	1.0
131.03404	2.3
133.02847	0.8
134.03645	0.7
135.04425	0.5
137.02277	0.7
145.02899	0.7
151.00349	0.6
157.01373	1.0
161.02440	0.8
163.00333	0.6
163.03979	0.5
173.04552	2.3
175.02396	1.7
175.03853	0.9
189.09195	0.5
191.05592	3.5
193.03496	0.5
206.99316	0.6
235.04591	1.4
241.01454	0.5
255.02870	0.5
271.02484	3.6
299.01971	6.3
300.02701	2.0
301.03506	1.0
313.03888	0.5
315.19543	1.0
317.03177	4.6
329.17593	1.0
333.20789	1.5
347.18695	1.7
553.38116	0.5
609.12396	2.6
653.27698	0.7
671.29346	100.0
672.29761	19.6
672.38733	0.4
672.41541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.6
58.00453	0.5
59.01260	7.2
59.01540	0.7
60.99202	0.5
61.98715	1.1
64.24557	0.5
71.01273	8.4
71.04902	3.2
71.58654	0.9
72.99191	0.7
73.02813	1.4
78.95805	1.3
83.01277	1.1
83.04935	0.5
85.02837	3.3
87.00767	0.7
88.98719	1.6
89.02341	2.6
93.03332	1.1
95.01299	0.8
96.95919	1.8
97.02856	1.9
99.00793	0.9
101.02359	2.8
105.03371	0.8
107.04920	1.0
107.85841	0.6
109.02857	2.0
109.06384	0.5
111.00779	1.0
113.02349	3.0
113.35786	0.5
117.03365	1.1
119.04938	0.6
121.02827	0.9
123.04354	0.7
123.08062	3.9
125.02382	0.9
127.07591	1.3
132.02109	2.0
133.02878	26.8
134.03693	6.3
135.04449	82.1
136.04787	3.7
137.02380	4.2
139.03938	0.8
139.78687	0.5
147.04456	1.6
148.05215	1.9
149.02438	0.6
149.06018	11.2
150.03186	1.3
150.06808	8.9
151.00327	1.0
159.04436	1.6
160.01607	3.5
161.02390	100.0
162.02692	4.1
163.04102	0.6
163.07603	1.8
163.11281	0.8
164.08334	1.9
165.05533	0.9
166.02676	1.4
173.04506	1.2
174.03177	0.8
175.03967	5.4
177.01965	5.4
177.05528	22.6
177.07095	1.2
177.09113	0.8
178.02658	2.0
178.05864	1.1
179.03461	97.0
179.10756	3.2
180.03795	3.8
181.05034	2.8
189.05435	0.5
189.09171	2.9
191.05568	5.2
191.07133	2.3
193.05077	1.6
195.06616	0.9
197.04546	1.6
199.04028	0.7
203.03496	7.7
205.08676	2.0
207.06787	0.8
207.10278	1.4
209.11829	3.1
218.05855	2.8
221.04556	37.4
222.04913	1.4
225.11331	1.3
231.13983	0.6
233.04608	1.7
233.08188	5.2
234.08670	0.7
242.02101	0.8
243.02951	0.6
245.04378	0.8
249.09891	0.8
251.05632	40.1
252.05928	2.1
255.23352	1.4
263.05609	2.0
263.13013	1.3
270.01624	0.8
271.02582	2.3
280.05957	1.2
281.06729	57.4
282.07010	3.2
299.01981	2.9
299.22253	1.2
303.19742	1.2
305.06656	1.4
311.08139	0.7
313.03613	4.6
314.04315	0.9
323.07782	73.9
324.08075	4.4
329.17664	9.7
330.17993	0.8
339.04971	1.5
341.08835	76.2
342.09210	5.5
347.18732	9.1
348.19260	0.6
353.08954	0.5
372.99298	0.5
409.23544	0.7
452.18979	0.9
479.33792	1.1
491.33914	1.5
508.34021	0.9
509.34909	1.6
513.10901	0.8
653.30896	0.5
671.28888	7.2
671.40332	14.5
672.29401	1.6
672.40668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75333	0.1
59.01267	0.7
61.98705	0.5
67.01762	0.1
70.89577	0.2
70.89893	0.1
71.01270	0.3
77.03849	0.1
78.95792	0.1
81.03350	0.3
85.02836	0.2
87.13093	0.1
89.02338	0.3
89.03871	1.8
93.03353	0.4
95.04920	0.3
98.20464	0.1
100.89074	0.1
101.02361	0.1
104.02596	0.2
105.03365	2.5
108.02076	0.2
109.02905	0.2
113.02280	0.1
115.03941	0.1
116.02909	0.1
119.04953	0.1
121.02826	0.5
123.08105	0.2
127.07592	0.3
132.05782	0.2
133.02879	7.2
134.03214	0.3
135.04442	1.3
137.02296	0.2
146.03697	0.6
148.01602	0.4
149.02376	0.8
149.04453	0.1
161.02414	1.3
161.05981	0.1
163.03917	0.2
164.04752	0.5
173.04533	0.2
176.01131	1.7
177.01892	100.0
178.02229	4.4
179.03481	1.4
179.07083	1.0
182.06577	0.1
187.11143	0.2
191.04074	0.1
191.05605	0.8
191.07147	0.2
205.08698	0.1
207.73680	0.1
224.65327	0.1
229.01367	0.2
231.10274	0.3
242.02226	0.3
243.03064	0.2
255.23357	0.1
269.08035	0.1
270.01666	0.3
271.02463	0.5
285.04138	0.2
299.02136	0.7
300.02563	0.2
313.03699	1.3
314.04285	0.5
321.06296	0.3
329.17819	0.6
331.19144	0.5
337.03815	0.2
339.07315	5.1
340.07578	0.3
341.08905	0.2
347.18512	0.2
349.20193	0.4
353.08862	0.2
449.14642	1.1
450.15005	0.2
493.27005	0.2
608.24268	0.1
671.27252	15.6
672.27606	3.1
672.38550	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	671.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92324	0.1
59.01258	0.5
71.01264	0.3
71.04922	0.8
71.57505	0.3
75.24100	0.1
85.02845	0.2
88.98680	0.7
91.05437	0.3
93.03362	0.4
97.02901	0.2
107.04930	0.6
109.02852	0.4
117.03366	0.2
119.04930	0.2
123.08070	1.0
127.07580	0.4
128.00293	0.1
133.02870	0.8
134.03670	2.7
134.87929	0.1
135.04451	79.9
136.04790	2.9
137.02342	0.4
149.06038	0.6
161.02376	1.1
161.04530	0.1
173.04541	0.2
178.02641	0.3
179.03464	100.0
180.03796	4.1
185.32239	0.2
189.09169	0.5
191.05600	1.3
191.07115	0.4
199.03787	0.2
205.08719	0.4
207.10298	0.2
209.11768	0.4
223.78160	0.1
225.11351	0.3
229.01285	0.2
241.01289	0.2
271.02554	0.7
285.04111	0.2
299.02023	1.0
300.02545	0.3
303.19666	0.2
313.03503	0.6
314.04227	0.5
323.07825	0.8
329.17657	2.8
330.17963	0.2
337.03668	0.2
341.08838	17.3
342.09229	1.2
347.18756	1.0
353.08780	0.3
366.03552	0.1
432.95236	0.2
451.16116	1.0
564.11975	0.2
589.63971	0.2
671.27197	15.3
672.27399	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	671.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.1
59.01268	1.1
60.01608	0.1
61.98721	0.4
71.01267	0.8
71.60104	0.1
71.60526	0.1
73.02875	0.2
81.03360	0.4
83.04919	0.3
84.50395	0.1
85.02871	0.3
89.02346	0.3
89.03864	1.3
93.03378	0.4
97.02843	0.3
99.00777	0.3
101.02352	0.4
104.02592	0.4
105.03373	2.6
109.06489	0.6
113.02406	0.2
117.03417	0.1
119.04942	1.1
121.02924	0.1
127.07573	0.5
133.02887	7.2
134.03210	0.3
135.04417	0.7
137.02382	0.2
148.01591	0.4
149.02391	0.7
152.01114	0.3
161.02429	0.6
161.04482	0.2
163.03915	0.6
163.11191	0.6
176.01125	2.2
177.01898	100.0
178.02237	3.7
179.03563	0.6
181.12349	0.3
189.12755	0.1
191.05547	0.3
191.07156	0.3
205.08662	0.3
207.10281	2.0
209.11839	3.5
213.09207	0.1
225.11314	1.5
227.12953	0.6
231.10318	0.2
253.09274	0.3
297.11935	0.3
313.18250	1.2
321.06131	0.3
331.19202	0.7
339.07312	4.9
340.07443	0.3
349.20325	0.3
449.14621	1.2
457.13843	1.0
461.20456	0.4
609.25848	0.4
635.30475	0.3
653.31726	0.7
671.27155	22.1
672.27551	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	669.3869
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
56.49827	0.2
57.03330	0.7
59.01264	3.1
61.98716	4.3
71.01263	2.0
71.04906	0.4
71.56301	0.4
73.02824	0.7
79.95617	0.3
83.04924	0.3
85.02840	1.9
87.00772	1.0
89.02338	0.7
89.38235	0.2
93.03361	0.4
96.95908	3.5
97.06447	0.3
99.00789	0.5
99.04402	1.6
101.02361	0.8
107.04947	0.2
108.02104	0.6
111.04443	1.1
111.08102	0.5
113.02364	1.0
113.05968	0.4
115.03931	0.2
121.02863	0.5
123.04429	0.3
123.08055	0.2
129.05499	0.3
132.02127	0.3
133.02887	5.1
134.03677	0.3
135.04463	3.0
135.08070	0.5
136.05295	0.6
137.02295	0.4
137.06032	0.6
148.05223	0.5
149.06024	5.4
150.06804	45.2
151.07187	1.9
152.01070	1.2
161.02388	20.5
161.09663	0.7
162.03023	0.4
162.06808	0.6
163.07594	9.2
163.08949	0.5
164.08385	5.9
176.08395	1.9
176.30107	0.3
177.01895	3.1
177.05496	0.5
177.09070	0.8
178.09961	3.7
179.03462	2.2
179.10736	12.4
180.11095	0.7
191.05586	1.0
193.08685	0.5
195.06586	0.7
213.11392	0.4
239.06035	0.5
263.20215	0.8
267.17569	0.2
269.17697	0.3
272.06137	0.3
279.23383	0.5
281.21295	0.7
283.19254	0.7
313.16794	0.3
325.23813	1.6
327.21860	4.9
328.22214	0.5
329.23447	0.5
362.24432	0.3
377.27161	0.5
428.29279	1.1
443.31842	2.1
444.32178	0.7
445.33362	0.5
446.30435	9.0
447.31094	1.3
460.31940	1.1
461.32822	12.0
462.33331	2.0
488.31357	1.5
489.32169	2.4
490.32446	0.3
505.32053	0.3
506.32623	3.9
507.33356	28.4
508.33774	5.2
547.14264	0.4
549.34631	0.4
607.24127	16.3
669.38690	100.0
670.39014	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	671.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.6
61.98701	0.5
71.01292	0.5
71.04902	0.6
71.56178	0.4
78.95808	0.4
85.02852	0.3
91.05457	0.3
93.03365	0.3
97.02878	0.5
106.85211	0.2
107.04926	0.9
109.02866	0.3
112.10406	0.3
116.91317	0.3
117.03320	0.3
119.04947	0.7
123.08080	0.7
127.07594	0.4
133.02858	0.6
134.03680	2.9
135.04449	89.8
136.04764	3.6
137.02397	0.3
149.06004	0.6
150.06824	1.0
151.07187	0.3
158.78838	0.2
161.02412	1.9
162.02657	0.4
163.07538	0.3
177.01921	0.9
177.05550	0.3
178.02670	0.3
179.03459	100.0
180.03790	3.6
189.09102	0.3
191.05577	1.0
191.07130	0.5
247.35512	0.3
299.02188	0.3
323.07867	1.5
329.17719	2.1
341.08832	38.6
342.09180	2.4
346.09824	0.2
347.18784	0.7
353.08475	0.3
451.16522	0.6
463.34714	0.3
509.34995	0.5
608.24103	0.7
652.69550	0.3
671.27429	14.8
671.39966	2.5
672.27515	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	669.315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21577	1.2
55.61351	1.2
57.03352	2.9
59.00989	2.1
59.01268	26.1
60.42285	1.2
61.98721	2.9
69.03353	1.8
71.01280	16.6
72.99203	3.3
73.02847	3.3
75.00755	2.5
75.14489	1.3
76.33413	1.4
78.95817	2.0
81.03363	5.1
83.01260	2.8
83.04916	5.8
85.02846	5.4
85.04345	1.2
87.00793	4.4
88.98700	1.5
89.02333	6.6
92.54031	1.3
93.03369	3.3
95.01283	1.4
95.04945	2.2
96.88277	1.1
96.95931	3.2
97.02843	9.7
97.06493	5.0
99.00771	1.5
101.02363	9.4
107.04951	2.7
107.36617	1.2
108.02100	2.7
109.06512	39.3
110.03679	1.2
113.02386	6.1
119.03416	1.6
119.04957	1.7
121.02874	2.3
121.06486	3.6
123.04467	1.8
123.08070	4.2
125.09645	18.4
133.02888	2.0
135.04410	3.2
135.08070	6.6
136.05232	3.8
138.66650	1.3
142.02603	2.4
143.03467	1.2
145.04987	2.1
148.05281	1.4
151.07643	2.1
159.04419	1.6
161.04492	2.4
161.09676	5.1
163.11255	25.3
165.09126	1.3
169.08574	1.8
171.10252	3.3
173.04463	1.4
175.11206	2.8
177.01880	2.5
177.09248	1.5
179.10796	2.3
181.12408	6.3
185.11778	3.5
187.07649	2.8
187.09705	8.8
189.09331	1.8
191.05585	3.4
191.10773	3.9
193.04942	2.0
195.06676	4.1
203.10791	2.1
207.10274	82.9
208.10577	5.2
209.11832	24.2
217.12433	1.4
219.10287	4.3
219.13918	1.7
223.09787	4.6
223.13431	3.7
225.11339	43.1
226.11716	2.8
227.12881	2.1
229.12494	1.6
235.08209	3.4
235.13390	2.6
237.11400	4.1
245.11748	2.8
251.12848	2.5
253.09271	7.9
255.23212	2.0
259.13342	1.4
261.11313	2.2
263.12936	7.5
269.45520	1.3
275.09155	1.8
313.18069	1.5
317.21396	1.7
327.19720	3.3
345.20798	2.0
350.99228	1.5
353.17523	2.8
353.21448	3.1
361.20245	2.7
369.20743	3.9
371.18655	5.1
371.22638	2.6
372.23184	1.5
379.21844	2.8
387.21802	3.5
389.19504	6.5
397.20346	8.0
405.17828	2.2
405.23041	2.0
415.16223	1.8
415.21353	20.4
416.21616	3.1
433.22415	8.9
443.19211	3.4
461.20502	11.9
473.25333	1.4
489.25397	2.0
523.93610	1.1
593.74481	1.3
597.29242	5.0
607.27686	19.0
608.28156	5.2
623.30975	1.9
625.28888	44.0
626.29651	6.7
633.29395	12.1
651.30383	100.0
652.30780	21.4
663.54968	1.5
669.31409	39.9
670.31769	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	669.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03329	0.8
58.00481	1.5
59.01266	100.0
59.75757	0.5
59.88510	0.5
60.01616	1.0
69.36938	2.4
69.37365	2.5
71.01268	23.3
72.99205	1.0
73.02837	13.4
73.03246	0.7
78.95794	5.9
83.01279	3.4
85.02840	7.2
87.00779	2.3
89.02345	11.6
95.01296	2.2
96.96860	4.0
97.02835	0.8
98.55741	0.5
99.00770	2.4
101.02345	18.9
101.79755	0.5
103.03928	1.6
111.00838	1.4
111.08066	0.6
113.02364	10.0
119.03439	4.8
125.02379	1.4
131.03430	0.6
141.09224	0.5
143.03442	2.0
145.04648	0.6
149.04419	0.7
151.11235	1.2
159.02945	0.7
161.04500	4.3
179.05685	1.3
187.13353	8.6
191.05637	1.2
201.03957	0.9
203.05629	1.2
229.14545	1.1
233.09525	3.4
234.09843	0.6
243.05132	14.5
243.07512	0.9
244.05583	0.8
331.17676	31.0
332.18100	2.0
346.31183	0.5
349.18753	26.8
350.19278	2.3
351.28766	0.6
391.19821	44.1
392.20093	3.8
426.13943	0.5
669.41382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	2.5
59.36090	0.5
61.98721	1.2
65.77399	0.5
66.50924	0.5
70.73920	1.3
71.01281	0.9
72.42401	0.6
72.99224	0.6
78.95798	1.6
93.03385	0.9
106.04110	0.7
109.41844	0.5
113.02473	0.5
121.02876	2.0
122.03698	0.5
123.04525	0.6
128.85565	0.5
133.02867	2.3
134.03676	53.8
135.03996	2.5
137.02383	9.0
139.03972	2.7
141.01590	0.5
149.02339	0.5
149.06024	16.7
150.06401	1.1
152.99533	1.1
165.01962	0.5
166.63066	0.5
167.70049	0.5
173.04572	0.5
178.02686	37.9
179.03065	1.4
189.12874	3.8
191.05544	1.0
191.07117	1.0
193.05049	100.0
194.05377	4.8
205.08691	1.8
207.10338	0.5
209.11841	2.8
223.13412	1.4
255.23430	0.6
313.18173	25.9
314.18521	2.1
331.19022	0.6
342.86426	0.5
355.10391	2.9
393.48911	0.6
669.29266	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	669.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	50.7
58.03665	0.8
59.01265	100.0
60.01609	0.7
68.89275	0.7
69.03387	1.0
71.01272	16.5
71.57100	1.2
72.99224	0.9
73.02827	7.0
75.00729	0.8
78.95792	31.1
81.03340	1.9
82.90551	0.8
83.01267	3.6
85.02847	8.1
85.99989	2.0
87.00762	5.3
89.02334	3.6
89.38817	0.7
91.04684	0.8
92.94218	0.8
93.03384	1.8
95.01300	1.8
96.95915	1.1
96.96861	22.6
97.02886	1.0
99.00787	2.3
99.04418	56.4
100.04772	1.6
101.02344	21.1
111.00764	1.1
111.46854	0.9
113.02356	7.5
115.55797	0.8
125.01456	1.5
125.02366	30.5
132.02596	0.8
137.02455	0.9
143.03439	4.6
147.04468	1.8
152.01083	1.7
159.02954	2.1
161.02475	1.1
161.04518	7.0
173.04526	0.9
179.03513	1.0
183.02946	1.9
187.13223	1.0
191.05608	5.1
198.43996	0.8
201.04071	3.3
201.11293	4.6
233.09503	38.2
234.09814	2.1
243.05125	52.4
244.05452	3.7
249.09132	1.7
273.13452	7.4
291.14624	13.6
313.03659	1.0
333.15625	18.7
334.15884	1.5
338.93958	0.8
373.18915	3.5
391.19879	3.3
435.18613	41.5
436.19101	4.1
669.41321	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	669.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	1.7
59.97411	0.2
61.98715	0.3
66.01286	0.2
67.14473	0.2
69.03330	0.2
69.44920	2.2
71.01277	2.0
72.99203	4.7
73.02842	0.3
78.95812	0.4
85.02850	1.3
87.00803	0.3
89.02339	0.9
89.03864	0.5
91.05431	0.3
93.03353	0.7
95.01282	0.4
96.95945	0.4
97.02866	1.2
99.00753	0.3
101.02341	0.8
102.05663	0.2
105.03355	0.5
107.04964	1.3
108.02113	0.2
109.02818	0.3
113.02368	1.7
114.20319	0.3
117.03407	0.6
119.04929	0.5
121.02856	0.7
127.81593	0.3
133.02876	4.3
134.02649	0.3
134.03677	6.1
135.04456	100.0
136.04794	3.6
137.02400	1.9
139.03929	1.3
147.04413	0.4
148.05179	0.4
149.06038	1.0
150.03255	0.3
150.06821	1.1
151.14462	0.2
152.99506	0.3
155.10704	0.8
159.04478	1.0
161.02402	11.7
161.04488	0.4
161.05998	0.4
162.02863	0.4
163.03961	0.6
164.08379	0.4
173.04597	0.3
173.06053	0.5
175.04048	0.3
176.04724	0.3
177.01903	11.2
177.05402	1.3
178.02634	1.9
179.03467	75.8
180.03795	3.3
183.13855	1.4
189.05533	0.3
189.12787	0.4
191.05585	1.0
191.06995	0.5
195.13940	1.3
201.05565	0.4
203.03522	0.3
207.10303	0.4
213.14970	3.3
214.15376	0.3
217.05135	0.2
221.04573	1.1
233.04633	0.6
235.06177	0.6
275.05545	0.3
281.18323	0.2
293.06729	4.7
293.09799	0.4
313.18124	1.2
323.07828	2.4
331.19220	2.8
337.08255	0.3
341.08801	3.7
406.22488	0.2
455.12067	36.7
456.12381	3.6
473.13135	19.3
474.13443	1.8
507.33383	0.5
537.23511	0.5
601.48480	0.3
625.25018	0.5
669.27942	35.5
669.38574	3.0
670.28253	6.7
670.38544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22419	0.1
59.01265	2.0
61.98723	0.5
70.07072	0.1
70.94369	0.1
71.01258	1.1
71.60418	0.2
71.60799	0.2
71.87516	0.1
72.99227	0.2
73.02834	0.2
77.95595	0.1
78.95798	0.2
81.03359	0.4
81.37070	0.2
85.02847	0.7
89.02329	0.8
89.03857	1.9
93.03363	0.6
95.05674	0.2
97.02881	0.3
99.00756	0.2
99.21292	0.2
101.02352	0.6
104.02596	0.3
105.03368	2.9
108.02074	0.2
109.02894	0.2
113.02374	0.4
119.04929	0.2
121.06526	0.2
125.02359	0.2
133.02884	8.5
134.03343	0.4
135.04446	0.8
137.02396	0.3
137.06029	0.2
148.01601	0.2
149.02382	0.8
150.06827	0.5
152.01089	0.3
160.01624	0.2
161.02428	0.2
165.05507	0.5
175.03998	0.2
176.01134	1.0
177.01895	100.0
178.02229	4.8
179.03424	0.4
179.05635	0.3
181.05188	0.2
183.13889	0.4
191.05611	0.8
193.05032	0.2
225.11430	0.2
227.12955	0.3
296.75769	0.1
305.01819	0.2
321.06195	0.2
331.19373	0.3
337.58170	0.2
339.07285	5.6
339.11459	0.3
340.07684	0.4
347.18869	0.3
391.21536	0.3
439.32233	0.3
459.14914	0.3
493.24417	0.2
511.24725	0.3
651.30310	0.2
668.79651	0.2
669.25671	17.6
669.38348	0.5
670.25977	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	669.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.5
68.82863	0.1
70.06520	0.4
71.01262	0.4
71.04910	0.4
75.00760	0.2
78.95788	0.1
78.99951	0.1
81.03370	0.4
84.18491	0.1
85.02869	0.3
87.22862	0.1
89.03867	1.6
93.03366	0.2
95.04935	0.1
96.95920	0.2
97.02864	0.3
98.20527	0.1
104.02573	0.4
105.03373	2.6
109.02872	0.2
113.02397	0.3
121.02887	0.2
123.08084	0.4
127.07574	0.4
133.02885	7.6
134.03224	0.3
134.41418	0.1
134.88449	0.1
139.03946	0.5
148.01628	0.4
149.02374	0.7
161.02373	0.3
176.01111	1.9
177.01895	100.0
178.02240	3.9
189.01894	0.1
189.09206	0.3
191.05629	0.4
205.08720	0.3
219.02963	0.1
276.34161	0.1
313.03555	0.3
314.04062	0.2
321.06149	0.4
329.17642	0.5
331.19263	0.1
339.07275	8.4
340.07666	0.6
347.18726	0.7
439.32306	0.2
449.14496	1.0
669.25702	13.8
670.26031	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74314	0.2
52.07945	0.2
59.01260	0.7
70.99471	0.2
71.01257	0.2
71.58201	0.3
81.03347	0.6
85.02839	0.4
87.00774	0.3
89.03864	1.8
91.57624	0.2
93.03386	0.4
95.04929	0.3
101.02303	0.3
104.02579	0.2
105.03377	3.2
120.99583	1.0
121.02850	0.6
124.12148	0.2
133.02888	7.3
135.04434	0.7
137.38364	0.2
138.03146	0.6
139.03944	4.2
149.02374	1.0
149.06085	0.7
150.06808	5.3
151.79333	0.2
153.05511	1.9
161.02391	1.1
162.03194	0.4
163.03970	2.1
163.07619	1.2
164.08382	0.8
173.04509	0.3
176.01128	0.5
176.04752	2.4
177.01897	100.0
178.02235	4.2
178.06322	2.3
179.10741	2.0
191.05537	1.3
191.07138	3.9
193.08678	1.1
210.03577	0.4
217.15944	0.6
224.42775	0.2
225.05917	6.1
226.06248	0.4
301.09549	0.8
313.07639	2.2
321.06339	0.3
327.21866	0.8
331.19104	0.6
339.07336	2.6
347.18631	0.5
387.11282	0.6
446.30469	0.9
460.32248	0.3
461.32806	1.5
462.33508	0.3
475.12936	2.4
476.13620	0.2
482.33511	0.2
489.32452	0.3
506.32706	0.6
507.33331	4.3
508.33200	0.5
633.29474	0.5
669.25891	12.5
669.38843	13.1
670.26129	2.5
670.39087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.7
61.98695	0.2
66.44075	0.1
71.01279	0.5
71.58077	0.2
73.02810	0.2
73.03493	0.1
78.95834	0.1
81.03363	0.6
85.02843	0.3
89.02350	0.1
89.03863	1.7
93.03366	0.8
95.01302	0.6
95.04953	0.2
96.95891	0.2
100.37511	0.2
101.02343	0.2
104.02600	0.4
105.03367	3.2
108.02091	0.3
109.02861	0.2
113.02380	0.4
118.38782	0.1
118.99225	0.2
123.08080	0.2
123.70773	0.2
133.02884	8.0
134.03613	0.6
137.02412	0.4
148.01564	0.4
149.02361	0.7
149.05984	0.2
158.88298	0.2
161.88533	0.1
173.04543	1.7
176.01154	1.1
177.01898	100.0
178.02240	4.5
189.12723	0.2
191.05569	0.7
193.05034	1.8
205.08746	0.2
207.10229	0.5
207.62605	0.2
219.02969	0.2
225.11432	0.9
255.23283	0.4
261.15149	0.2
313.18027	0.9
321.06290	0.6
329.17624	0.2
331.19257	0.2
337.83951	0.2
339.07285	3.4
340.07687	0.3
347.18723	1.8
349.19983	0.3
423.52325	0.1
523.25934	0.7
625.30298	0.3
651.30255	0.3
653.91010	0.1
669.25568	19.8
670.25903	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	669.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.2
60.51731	0.2
60.99194	17.1
70.89657	0.5
70.89993	0.4
71.01270	1.5
73.02840	1.2
75.00768	0.5
77.90044	0.2
78.95797	1.1
83.01311	0.5
85.02862	0.5
87.00751	0.3
88.98701	100.0
89.99037	0.9
90.21597	0.3
93.03361	0.4
96.95942	0.4
97.02858	1.9
101.02355	1.2
109.02850	0.5
113.02364	0.4
122.03703	0.4
123.66118	0.3
127.07588	0.4
129.73734	0.3
143.03407	0.3
152.99474	0.4
155.03499	0.3
161.04543	0.3
163.11229	0.4
173.04526	0.3
177.01900	0.9
183.33267	0.3
189.12840	6.9
190.13148	0.4
191.05568	0.9
191.07138	1.6
193.05099	0.3
197.11789	0.9
203.05711	0.4
205.08687	5.2
205.12242	0.3
207.10243	0.9
209.11839	0.5
217.21555	0.3
269.19220	1.0
311.20215	0.4
313.18173	42.8
314.18472	4.9
319.84854	0.3
329.17435	0.3
331.19254	10.9
332.19699	1.2
333.20633	0.6
345.20898	0.8
355.19214	2.7
373.20261	1.4
374.20590	0.3
391.22708	0.3
397.20313	0.4
415.21375	0.4
426.27829	0.3
480.12918	0.3
651.30090	0.3
669.30933	2.0
670.30927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93056	0.2
56.35403	0.2
57.03340	0.5
59.01266	63.9
60.01592	0.9
69.79005	0.4
69.79407	1.4
71.01273	1.9
72.99231	0.2
73.02839	0.7
78.95800	5.4
81.03325	0.3
83.01278	0.4
83.04962	0.3
85.02853	1.7
87.00772	2.1
88.98715	0.2
89.02347	1.0
90.20845	0.2
91.19771	0.2
93.03369	2.7
95.01307	0.5
95.04929	0.4
96.05969	0.2
96.95927	1.2
96.96856	3.5
97.02847	0.4
99.00781	0.4
101.02351	1.1
108.02087	0.5
109.02886	0.5
111.00796	0.4
111.04416	0.9
113.02386	0.8
115.00276	0.4
117.03297	0.3
119.03395	0.4
119.04958	1.4
121.02895	0.4
125.02399	0.3
129.01863	0.6
133.01401	0.3
135.04463	0.7
137.02409	0.4
145.02861	0.8
145.06540	0.5
147.04483	1.8
155.03412	0.4
157.04990	0.4
161.04504	0.3
163.03986	0.9
167.03714	0.2
173.04530	1.5
183.02959	3.5
187.07657	0.9
191.05605	6.0
192.05869	0.5
201.04034	6.1
202.04387	0.3
211.07590	0.3
219.05128	0.6
225.57927	0.2
233.09489	4.2
234.09917	0.6
241.92935	0.3
243.05138	100.0
244.05505	5.5
258.50455	0.2
265.08771	0.3
283.02484	0.4
327.08780	0.4
331.08359	0.3
331.11975	0.5
331.17578	0.5
337.09265	0.3
349.09586	0.4
361.73099	0.2
391.10449	1.0
391.19931	0.8
401.94705	0.3
435.22430	0.7
507.24478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.3
57.03344	1.1
57.39442	0.5
58.00476	3.0
59.01266	57.4
60.01606	1.0
65.86921	0.5
71.01272	46.7
72.01615	0.7
72.95303	0.6
72.99196	5.4
73.02835	8.9
75.00764	1.6
83.01267	3.2
83.04934	0.6
85.02850	10.0
87.00781	2.8
87.26820	0.5
89.02341	49.1
93.03358	2.9
95.01289	3.1
96.95924	1.0
97.02871	1.3
99.00785	9.4
99.04389	0.6
101.02349	27.3
108.02116	0.9
111.00721	0.5
111.04436	0.6
113.02361	15.5
114.02689	0.8
115.03881	0.7
119.03424	12.5
119.04929	2.2
125.02332	1.9
129.01920	0.7
131.03442	4.4
135.04443	1.3
143.03438	2.7
145.02844	0.7
149.04506	8.8
152.01132	1.8
161.04462	2.8
163.03972	0.9
165.03976	1.3
173.04512	2.3
176.51561	0.6
179.05586	4.8
191.05600	19.4
192.05910	2.4
193.06271	0.8
221.06688	0.6
251.07602	0.7
276.95203	0.6
301.06079	0.6
307.08496	0.6
328.09097	0.7
337.09433	1.3
338.09750	0.7
355.21548	1.2
375.11469	0.5
487.25610	13.1
488.25665	1.3
505.26288	0.7
519.15100	0.7
535.27795	3.2
636.76672	0.6
667.31982	100.0
668.32373	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	667.2995
Annotation	3-Hydroxy-6'-desmethyl-9-O-methylthalifaboramine
Peak:m/z	Relative Intensity
57.03328	0.3
59.01268	7.7
60.99194	1.2
67.01788	0.4
67.86151	0.3
69.03342	0.6
69.49625	0.3
71.01273	6.1
71.21520	0.3
71.60437	0.6
72.99194	1.1
73.02840	1.9
75.00771	0.9
78.16631	0.3
78.95806	1.2
83.01277	0.4
85.02859	2.4
87.00770	1.2
88.98711	6.4
89.02342	4.3
89.03862	0.5
91.05461	0.6
93.03368	3.1
96.95933	0.6
97.02864	0.4
99.00780	2.9
101.02345	4.0
106.04218	0.5
107.04916	2.2
108.02080	0.8
111.04458	0.7
113.02357	1.6
116.92752	0.4
117.03383	1.8
119.03460	0.6
119.04948	2.8
121.02872	0.9
123.04451	0.6
125.02412	0.5
131.03397	0.6
132.02116	1.1
133.02882	18.5
134.03694	8.6
135.04453	100.0
136.04794	4.9
137.02376	1.0
145.02890	1.2
149.04491	0.5
149.05974	0.4
152.01123	0.5
158.53270	0.4
160.01573	0.4
161.02396	43.4
162.02739	2.3
163.03952	2.5
165.05496	0.4
167.03300	0.3
173.04486	3.2
178.02727	0.5
179.03467	51.4
180.03783	2.1
191.05586	7.0
191.07315	0.4
193.05019	1.0
195.06519	0.4
209.08159	0.5
209.11810	1.0
210.06796	0.4
211.07597	0.8
231.06656	0.9
353.09036	0.5
397.13599	0.8
463.13892	0.4
607.26001	0.8
622.40533	0.6
623.40997	0.7
666.39410	0.4
667.29773	67.3
667.38544	3.3
668.30170	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	667.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41270	0.5
55.01768	0.6
57.03333	1.9
58.00459	0.4
59.01264	100.0
60.01601	1.3
69.03349	0.7
69.50378	2.3
69.50804	1.6
70.63773	0.6
71.01269	17.1
72.99232	1.1
73.02833	7.8
75.00765	1.3
78.95795	62.4
82.97362	0.4
83.01286	2.9
85.02843	5.1
87.00786	1.3
89.02343	6.0
93.03347	1.1
95.01316	1.2
96.95962	4.8
96.96867	49.8
97.02879	1.1
99.00800	1.4
101.02354	13.3
109.02889	0.8
113.02352	7.2
119.03447	3.1
119.04955	1.0
125.02367	1.1
131.03464	0.9
133.02892	1.0
135.04468	2.2
139.11267	0.7
142.48770	0.5
143.03482	1.6
145.02946	0.9
147.04501	1.9
149.04530	1.5
151.00311	0.7
159.02921	0.8
161.02403	1.9
161.04500	6.5
165.04015	0.9
167.03558	1.0
173.04573	1.2
179.03522	1.5
179.05606	0.8
185.11807	7.7
186.12173	0.6
188.54291	0.5
191.05571	4.6
194.05617	0.6
203.05496	0.6
221.06590	0.6
228.37556	0.5
229.01556	0.7
233.09496	57.8
234.09863	2.9
249.08992	33.9
250.09477	1.7
267.06741	0.7
269.08435	0.6
271.06396	1.3
299.02145	0.6
313.03473	0.6
313.16782	1.4
329.16141	4.4
331.17725	9.3
332.18118	0.6
337.04022	0.7
339.05283	2.2
347.17081	3.1
363.85773	0.5
373.18753	20.7
374.19159	2.7
389.18329	8.2
390.18546	0.7
431.11893	0.6
433.20718	0.7
495.88510	0.6
505.09784	0.9
596.35388	0.5
623.28583	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	667.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41270	0.5
55.01768	0.6
57.03333	1.9
58.00459	0.4
59.01264	100.0
60.01601	1.3
69.03349	0.7
69.50378	2.3
69.50804	1.6
70.63773	0.6
71.01269	17.1
72.99232	1.1
73.02833	7.8
75.00765	1.3
78.95795	62.4
82.97362	0.4
83.01286	2.9
85.02843	5.1
87.00786	1.3
89.02343	6.0
93.03347	1.1
95.01316	1.2
96.95962	4.8
96.96867	49.8
97.02879	1.1
99.00800	1.4
101.02354	13.3
109.02889	0.8
113.02352	7.2
119.03447	3.1
119.04955	1.0
125.02367	1.1
131.03464	0.9
133.02892	1.0
135.04468	2.2
139.11267	0.7
142.48770	0.5
143.03482	1.6
145.02946	0.9
147.04501	1.9
149.04530	1.5
151.00311	0.7
159.02921	0.8
161.02403	1.9
161.04500	6.5
165.04015	0.9
167.03558	1.0
173.04573	1.2
179.03522	1.5
179.05606	0.8
185.11807	7.7
186.12173	0.6
188.54291	0.5
191.05571	4.6
194.05617	0.6
203.05496	0.6
221.06590	0.6
228.37556	0.5
229.01556	0.7
233.09496	57.8
234.09863	2.9
249.08992	33.9
250.09477	1.7
267.06741	0.7
269.08435	0.6
271.06396	1.3
299.02145	0.6
313.03473	0.6
313.16782	1.4
329.16141	4.4
331.17725	9.3
332.18118	0.6
337.04022	0.7
339.05283	2.2
347.17081	3.1
363.85773	0.5
373.18753	20.7
374.19159	2.7
389.18329	8.2
390.18546	0.7
431.11893	0.6
433.20718	0.7
495.88510	0.6
505.09784	0.9
596.35388	0.5
623.28583	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	667.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.1
59.01265	3.8
59.71109	0.3
61.98708	0.7
69.03333	0.7
69.17049	0.3
69.43250	2.7
71.01271	3.5
72.86784	0.3
72.99200	15.3
73.02848	1.0
74.76575	0.3
78.95779	0.3
79.99783	0.3
83.01271	0.4
85.02842	1.1
88.05029	0.3
89.02332	1.3
90.16063	0.3
93.03380	1.6
95.01302	0.5
96.95914	1.3
97.02848	0.7
97.06490	0.3
99.00779	1.0
101.02348	1.4
109.46002	0.3
111.00818	0.5
111.08090	0.5
113.02371	2.7
117.03383	1.2
119.04951	100.0
120.05297	3.8
121.02868	1.6
125.02330	0.3
131.03426	0.6
132.05765	0.3
133.02873	1.0
133.06543	0.5
134.03683	0.7
135.04453	1.0
137.02357	1.2
139.03963	0.5
145.02884	3.1
158.03506	0.4
161.02399	1.0
161.06027	0.7
162.03188	1.1
163.03969	61.1
164.04301	3.1
165.12813	8.7
166.13132	0.6
173.04510	0.7
175.07651	0.5
179.03497	0.8
183.13884	33.1
184.14252	2.3
191.05540	1.5
193.05043	0.9
201.03987	1.0
205.05020	0.7
205.94319	0.3
209.11824	1.4
210.06860	1.0
219.06638	0.4
227.12897	12.3
228.13139	0.7
235.07732	0.3
237.09219	0.9
261.06204	0.8
263.07083	0.8
264.07840	0.5
277.07205	0.9
325.09348	0.9
329.17725	0.5
422.48544	0.3
439.12415	5.6
440.12820	0.5
457.13626	16.7
458.13983	2.0
503.21585	0.5
607.37524	0.6
623.27814	0.5
649.25262	1.3
667.26257	57.7
668.26599	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	667.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	4.0
62.96286	0.2
65.00209	0.5
70.42227	0.4
70.42619	0.3
71.01267	0.7
73.02829	0.4
78.95794	73.0
83.01277	0.5
85.02852	0.5
89.02358	0.4
93.03349	0.9
95.96078	0.3
96.96863	56.3
101.02372	0.5
107.01288	0.6
109.30428	0.2
113.02303	0.5
119.04945	2.6
120.05192	0.2
123.04449	0.3
135.04453	0.2
145.02995	0.2
151.00316	3.3
161.02332	0.4
161.04506	0.4
162.20290	0.2
167.03473	0.3
168.64063	0.2
169.01411	0.2
173.04486	0.3
177.01903	0.5
179.03513	0.3
191.05571	0.9
233.09497	100.0
234.09828	6.0
249.09048	1.2
271.06183	17.0
272.06528	1.3
272.84473	0.2
373.18787	0.6
389.18332	0.4
433.11432	1.7
496.33734	0.2
688.97009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15718	0.4
59.01263	2.9
61.98716	0.9
62.36776	0.3
67.32656	0.4
67.61988	0.3
69.03362	0.7
71.01266	2.5
71.60062	0.8
72.99202	13.3
73.02841	0.8
77.39962	0.3
83.01275	0.4
85.02843	1.4
87.00745	0.5
89.02335	1.0
93.03358	1.2
96.95927	1.2
97.05071	0.3
97.06502	0.3
98.15434	0.3
99.00803	1.3
101.02371	1.0
111.08089	0.5
113.02354	2.7
117.03385	1.2
119.04948	100.0
120.05279	4.0
121.02870	1.2
131.03406	0.4
133.02875	0.7
134.03668	1.0
135.04475	0.9
137.02380	1.0
139.04019	0.4
145.02884	3.0
146.60570	0.3
150.06755	0.3
161.02443	0.7
161.04401	0.4
162.03149	0.8
163.03960	56.0
164.04314	2.6
165.12807	8.8
173.04520	0.4
175.07610	0.5
178.02795	0.5
179.03477	0.8
183.13878	28.0
184.14204	1.4
187.03949	0.4
191.05579	1.1
191.07089	0.4
193.04962	0.9
195.06537	0.4
201.04008	0.8
205.04967	0.8
208.67569	0.5
209.11841	0.7
210.06795	0.7
227.12897	11.5
228.13193	0.7
235.07661	0.7
237.09242	0.6
261.06165	1.1
263.07175	0.7
264.08026	0.7
277.07144	0.7
307.08374	0.7
325.09433	1.0
329.17661	1.1
330.18396	0.4
347.18768	0.5
439.12579	5.6
440.12585	0.7
457.13641	22.9
458.14185	2.8
503.21411	0.7
525.15173	0.4
526.14569	0.4
622.24786	0.5
623.27808	0.6
649.24902	1.3
667.26245	58.4
668.26563	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	667.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52387	2.6
58.02436	2.4
59.01263	12.5
60.03982	1.9
61.17072	2.0
63.11280	2.0
64.36206	2.1
69.03344	3.6
71.01260	9.4
71.62003	3.6
85.02842	4.8
85.06469	6.4
89.02321	9.8
97.02833	7.9
101.02354	7.6
113.02327	4.7
119.03423	4.8
124.30195	2.1
125.02366	56.9
131.07072	38.1
132.07420	2.1
293.12503	100.0
294.12790	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	667.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68806	0.2
52.77859	0.2
55.52406	0.2
57.93181	0.2
59.01256	0.9
64.13002	0.2
65.00229	0.2
67.01759	0.4
71.01274	0.6
83.01279	0.3
85.02835	0.9
87.00771	0.6
93.03363	2.1
95.04900	0.3
96.95919	1.6
98.20575	0.7
105.03345	0.8
105.42821	0.2
107.01267	0.4
109.02876	0.5
111.04412	0.5
113.02368	0.2
123.04460	0.4
127.03903	0.3
128.48196	0.2
133.02882	5.0
134.03632	0.2
135.04448	2.9
137.02383	0.2
147.04449	0.2
151.00342	0.5
151.03947	0.3
161.02435	1.4
164.32759	0.2
170.03552	0.2
171.10254	0.7
171.38902	0.2
172.01584	0.6
173.04512	1.0
177.01891	1.6
179.03464	0.7
186.03189	1.1
189.01926	0.4
191.05588	11.7
192.05901	0.3
198.03114	1.0
199.03827	0.4
201.01982	0.3
214.02759	2.2
215.03540	0.2
215.05707	0.7
226.02809	0.4
227.03391	0.4
230.20015	0.3
241.01463	4.6
242.02228	16.2
243.02852	2.8
245.00948	5.9
245.03481	0.4
246.01276	0.5
255.03102	0.4
257.04556	0.6
270.01758	16.8
271.02411	3.7
272.02988	0.2
273.00513	0.4
282.01654	0.4
285.04099	7.3
286.04562	0.8
298.01263	6.3
299.01947	1.7
300.02768	0.6
313.03601	100.0
314.04028	11.9
315.04926	0.5
351.07303	3.1
352.07700	0.4
353.08865	3.6
354.09055	0.3
391.47049	0.2
432.54932	0.2
607.37384	0.3
660.05548	0.3
667.40057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61377	0.1
59.01261	0.7
63.02282	0.2
65.00217	0.2
69.33823	1.2
69.34246	0.6
71.01292	0.4
77.03828	0.3
83.01270	0.3
85.02847	0.4
86.92851	0.2
88.98702	0.2
89.02322	0.2
93.03367	0.7
95.04917	0.5
101.02354	0.2
105.03382	1.5
107.01298	0.4
107.04884	0.2
108.51868	0.2
109.02834	0.2
111.04391	0.2
113.02338	0.2
114.86790	0.2
121.02883	0.4
123.04447	0.3
132.02104	0.2
133.02884	9.6
134.03737	0.8
135.04449	4.9
135.05457	0.4
136.04749	0.2
137.02377	0.7
145.02974	0.3
151.00304	0.6
151.03935	0.3
151.07565	0.5
155.03491	0.3
158.03653	0.5
161.02394	2.2
163.03922	0.2
169.01503	0.2
170.03699	0.4
172.01590	0.7
173.04530	1.4
177.01883	4.0
178.02628	0.5
179.03481	2.9
186.03252	1.5
189.01880	0.4
191.05582	4.1
195.06580	1.7
198.03210	1.3
199.03947	0.6
199.96944	0.2
201.01842	0.4
212.03111	0.2
214.02692	2.8
215.03307	0.5
216.00679	0.5
217.01433	0.3
218.02144	0.3
219.06570	0.3
226.02695	0.5
227.03493	0.5
241.01440	6.8
242.02214	18.4
243.02884	3.5
244.03275	0.2
245.00963	5.6
246.01300	0.4
255.03017	0.5
257.04642	0.4
270.01746	21.2
271.02393	4.2
272.02963	0.3
273.00537	0.4
274.01120	0.2
282.01724	0.5
285.04111	6.9
286.04626	0.5
298.01257	6.0
299.01920	1.7
300.02817	0.5
301.02979	0.2
302.95239	0.2
313.03598	100.0
314.04037	11.8
314.07962	0.3
315.04932	0.8
351.07263	1.7
352.07974	0.8
353.08844	3.1
354.09381	0.4
357.11981	0.5
505.17218	0.3
505.26938	0.3
667.29559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82218	0.1
56.70020	0.1
59.01264	0.3
59.56647	0.1
60.99194	0.1
63.02287	0.2
63.91218	0.1
65.00217	0.2
67.01768	0.4
69.37656	0.8
69.38082	0.3
71.01263	0.4
74.02505	0.1
78.95793	0.1
81.03330	0.2
83.01282	0.2
83.04924	0.2
85.02845	0.7
87.00784	0.6
87.58372	0.1
93.03362	2.8
95.04931	0.2
96.95888	0.2
101.02380	0.1
105.03374	0.6
107.01292	0.4
107.04938	0.2
107.74694	0.1
108.02087	0.3
109.02880	0.9
111.04414	0.5
117.03449	0.2
121.02850	0.2
123.04417	0.3
124.01540	0.2
125.02374	0.2
126.03085	0.1
127.03886	0.1
133.02885	4.6
134.03574	0.4
135.04448	5.4
136.04800	0.2
137.02383	0.2
145.02919	0.2
146.03714	0.1
150.03151	0.3
151.00330	0.7
151.03941	0.6
155.03450	0.2
158.03642	0.5
161.02402	1.0
170.03668	0.3
171.04408	0.3
172.01584	0.6
173.04510	2.2
174.03146	0.2
177.01880	1.5
179.03465	1.9
186.03206	1.1
187.03809	0.2
189.01926	0.4
191.05585	7.2
192.05945	0.4
198.03195	1.1
199.04022	1.0
201.01895	0.7
202.02657	0.3
203.03529	0.2
213.01872	0.3
214.02707	2.7
215.03456	1.0
215.05612	2.6
216.00706	0.3
216.03647	0.1
217.01399	0.3
218.02200	0.2
225.01932	0.1
226.02737	0.6
227.03575	0.9
241.01457	5.9
242.02228	16.8
243.02994	8.0
243.05022	0.1
243.05698	0.2
243.15901	0.1
244.03377	0.4
245.00943	4.8
246.01297	0.3
254.02405	0.2
255.03012	0.5
257.04636	2.3
270.01761	18.8
271.02499	8.1
272.03003	0.6
273.00391	0.5
282.01709	0.4
283.02441	0.2
285.04132	9.4
286.04688	1.4
298.01233	5.6
299.02026	3.1
300.02795	1.2
307.08279	0.3
308.09103	0.7
313.03610	100.0
314.04221	19.9
315.04987	2.1
351.07263	6.2
352.07852	0.8
353.08969	0.3
431.07666	0.1
475.06631	0.3
521.12482	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	665.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.1
57.03322	1.7
58.00481	1.4
59.01264	64.6
60.60929	1.0
61.98722	1.6
71.01270	26.9
71.56017	1.6
71.56356	1.2
72.99206	2.6
73.02834	7.1
78.95810	1.4
79.26400	1.0
83.01278	5.6
85.02843	14.2
86.00006	1.9
87.00768	2.1
89.02343	5.6
93.03398	1.7
95.01295	3.1
96.95925	3.5
97.56840	0.9
99.00777	2.6
99.04425	10.2
101.02346	14.9
111.04446	1.5
113.02370	13.1
117.89514	1.0
132.02068	1.3
133.02887	4.4
134.03633	3.7
135.04449	8.3
137.02353	1.3
159.02988	1.2
160.01636	2.9
161.02382	10.1
161.04507	2.9
162.68913	1.1
163.03935	1.4
173.04550	2.1
175.03995	3.1
179.03447	3.1
179.53500	1.0
191.05571	7.7
193.05037	3.3
195.06636	2.4
209.41147	0.9
225.58917	1.0
299.02020	2.0
335.62616	1.0
338.87985	1.1
353.08759	1.2
365.08765	1.3
503.19196	1.1
561.30981	4.6
563.34290	1.7
579.31897	8.3
621.32977	100.0
622.33270	21.2
665.37854	2.2
687.05811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
58.10801	0.9
59.01264	42.5
61.98693	1.9
62.01732	1.3
67.01778	2.0
69.03348	39.5
71.01272	9.7
71.04925	1.5
71.59659	1.9
73.02841	8.9
83.01277	2.1
85.02850	6.0
85.06512	5.5
87.00787	1.3
89.02348	1.1
96.95913	3.8
97.02853	100.0
98.03202	2.7
98.95494	1.0
101.02342	8.2
113.02366	3.6
115.03916	24.6
133.02852	2.7
134.03645	2.9
135.04457	2.5
149.13298	1.0
161.02460	6.7
161.04453	2.1
179.03452	1.7
191.05588	2.7
191.07164	1.3
193.05054	2.6
201.01894	1.2
205.08733	1.1
256.47205	1.1
275.23871	3.5
295.62152	0.9
301.21811	5.1
319.22845	44.8
320.23230	4.7
329.28671	1.2
331.19269	5.0
332.19632	4.7
347.49295	1.0
373.27570	5.9
399.25571	1.6
417.26550	77.7
418.26834	7.9
443.75851	1.0
561.30652	4.8
579.31702	1.8
621.32928	97.6
622.33337	17.4
665.26868	1.3
665.37561	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	665.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	1.1
59.01269	43.8
61.68127	1.0
61.98715	4.1
64.66757	1.0
66.25255	0.9
69.03353	35.9
71.01275	14.7
71.04922	2.9
71.32298	2.6
73.02842	7.9
83.01270	2.8
85.02856	5.0
85.06480	4.1
87.00797	2.1
89.02345	1.8
93.03355	1.1
95.01324	1.2
96.95914	1.5
97.02856	88.2
98.03193	2.2
99.00785	1.2
99.04429	1.8
101.02338	8.7
113.02349	3.3
115.03915	19.7
116.04285	1.2
128.96014	1.1
134.03625	1.4
151.00317	2.7
161.04514	1.8
173.04593	1.7
178.99838	2.7
191.05542	1.8
275.23911	3.0
293.21329	1.5
301.21622	3.3
319.22867	43.7
320.23148	4.5
329.28220	1.7
373.27496	6.2
409.13013	2.5
417.26578	65.6
418.26825	8.9
527.67938	1.7
561.30707	4.1
579.31915	2.1
620.23096	1.3
621.32977	100.0
622.33386	20.3
665.28528	6.5
665.39172	1.3
665.78717	2.4
666.28247	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83351	0.9
57.03333	1.0
59.01264	22.4
61.98710	1.4
63.02295	1.5
65.00214	3.1
67.01746	1.1
69.03343	11.0
71.01273	14.5
71.04929	0.7
71.56746	1.1
72.99203	1.3
73.02831	15.0
75.00758	1.0
78.95778	2.1
79.78294	0.8
83.01273	5.5
83.04894	0.8
85.02847	2.2
93.03365	2.7
96.95914	2.9
97.02856	13.6
99.04404	5.5
101.02329	8.1
103.48544	0.7
107.01299	3.6
108.02110	0.8
109.02779	0.8
111.00809	0.8
113.02369	2.4
115.03911	1.6
119.04965	0.8
123.00854	1.1
124.01608	4.5
124.05157	1.0
125.02354	6.6
131.03441	0.7
133.02864	2.3
134.03619	1.9
135.04446	3.4
137.02385	1.0
143.03442	0.9
151.00307	14.5
152.01089	13.8
152.99677	0.8
153.01888	2.6
155.03398	1.9
161.02382	5.1
163.03935	0.9
169.01286	1.2
173.04498	2.6
177.01949	0.9
178.99817	12.6
179.03450	2.1
191.05605	5.6
193.04968	1.1
203.05431	1.1
214.02776	1.0
241.01385	4.7
242.02246	2.8
243.02872	1.9
245.00867	4.5
255.02933	0.9
270.01767	11.0
271.02536	9.3
273.22238	0.9
275.23849	6.1
295.02393	0.9
298.01279	5.6
299.02042	15.9
299.23901	2.0
300.02661	3.2
301.21765	4.5
319.22845	100.0
320.23199	10.2
333.24426	8.2
343.22861	17.2
344.23013	0.8
361.23959	9.5
373.23981	2.5
385.24268	1.1
405.31287	0.9
417.26514	3.6
461.07327	19.4
462.07501	1.7
503.20874	10.4
504.21198	1.2
553.46521	0.9
560.05951	1.0
621.32788	2.4
641.48511	0.8
665.26172	49.9
665.37628	1.7
666.26355	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	665.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09050	0.7
58.00458	0.9
59.01265	80.0
60.01604	1.7
61.98712	2.0
67.01765	1.8
69.03344	37.6
70.73128	2.5
71.01272	22.4
71.04884	1.2
72.99191	1.5
73.02837	24.5
75.00786	0.7
81.03334	1.0
83.01270	6.2
83.04881	0.7
85.02844	39.2
85.06489	2.4
87.00774	0.9
89.02346	1.5
93.03356	1.4
95.05016	0.9
96.95907	2.8
97.02851	84.4
98.03189	2.4
99.00812	0.7
101.02349	14.0
113.02356	5.1
113.93221	0.9
115.03924	26.2
123.04439	4.1
125.02360	3.3
133.02876	2.4
135.04439	1.6
143.03430	2.2
151.00290	1.1
153.05515	5.3
155.03442	2.8
161.02362	4.0
161.04462	1.6
162.66524	0.8
173.04614	1.2
179.03458	1.5
191.05582	5.2
203.05594	2.6
275.23929	2.9
299.02045	1.5
301.21860	3.4
309.07907	0.7
313.18237	1.2
315.10916	1.2
319.22867	25.1
320.23019	3.4
325.21841	3.1
329.28455	2.0
337.07248	1.6
343.22949	2.0
367.11923	2.6
373.27722	3.6
397.27637	0.9
417.26553	100.0
418.26898	11.1
431.28021	2.3
441.20352	1.4
441.26593	29.7
441.32388	1.0
442.26752	4.2
459.27664	7.4
471.27652	3.3
593.29272	0.9
605.29944	1.0
664.38354	1.3
665.26923	1.2
665.37952	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	665.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.2
59.01265	59.0
61.98701	3.5
65.00215	1.0
71.01271	26.1
71.57500	1.8
72.99217	1.6
73.02844	7.5
78.95779	2.4
83.01292	5.0
85.02837	12.8
87.00764	2.0
89.02325	7.1
93.03346	2.2
95.01270	2.8
96.95893	1.9
97.02825	1.9
98.47878	1.3
99.00777	2.4
99.04414	41.6
101.02347	14.6
107.01290	1.4
109.02853	1.1
113.02354	10.7
119.03386	1.0
125.02324	1.3
125.09669	1.3
131.03477	1.1
133.02892	5.0
134.03630	3.0
135.04425	3.1
137.02321	1.4
145.02849	1.7
151.00294	3.2
161.02429	7.0
161.04497	2.4
163.03961	1.2
173.04520	4.2
177.01912	1.6
178.99843	2.0
179.03494	2.0
186.03145	1.8
189.01892	1.6
191.05614	5.2
193.05037	2.9
194.05400	1.0
199.03972	1.8
214.02727	7.5
215.03384	1.0
227.03505	1.5
241.01456	27.5
242.02196	10.2
243.02867	3.9
245.00928	22.3
255.02812	1.1
261.22305	1.4
270.01736	42.2
271.02512	32.5
272.02997	2.3
282.01791	1.2
291.23404	3.3
298.01251	28.4
299.01993	45.3
300.02469	4.9
317.21353	1.9
335.22198	4.9
350.09872	1.1
401.27112	1.4
417.26428	1.4
433.07852	3.3
439.82532	1.1
443.43945	1.2
461.07352	94.6
462.07639	10.9
497.27478	1.5
521.27374	2.1
539.28876	1.3
561.30859	8.3
576.96857	1.2
579.31671	6.4
621.32953	100.0
622.33209	19.9
656.05750	1.0
665.26129	48.8
666.26666	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	665.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61253	0.5
55.01759	1.1
55.86618	0.4
57.03344	1.1
58.55676	0.5
59.01263	46.0
61.98724	0.9
69.95381	2.7
71.01270	20.6
72.99181	1.2
73.02836	6.6
78.95781	1.0
83.01270	2.8
85.02843	9.3
87.00772	1.4
89.02333	5.0
93.03370	0.5
95.01282	2.1
95.54605	0.5
96.95918	2.8
97.02851	0.9
99.00790	2.0
99.04417	37.9
100.04802	0.9
101.02342	11.9
113.02354	9.8
114.02686	0.6
115.03996	0.5
116.58146	0.6
119.03402	1.7
125.02370	1.1
125.09678	0.6
129.01968	0.6
133.02846	1.5
135.04459	1.0
139.04001	0.7
143.03438	0.6
157.18961	0.6
159.02924	0.9
161.02437	2.4
161.04512	1.6
173.04588	0.7
179.03430	0.9
191.05537	1.7
199.03709	0.5
241.01479	2.4
242.02129	1.1
245.00966	2.7
261.22211	0.8
270.01755	4.8
271.02417	3.3
291.23337	1.7
298.01196	3.0
299.02014	5.0
317.21115	2.7
319.22787	0.6
335.22397	4.3
353.08817	0.8
399.25620	0.9
401.27213	1.2
417.26419	0.7
453.28827	1.6
461.07370	9.1
462.07678	1.1
479.26675	1.3
497.27655	1.5
521.27496	2.3
539.28619	1.6
561.30823	7.2
562.31451	0.8
579.31750	7.1
580.32050	1.1
621.32922	100.0
622.22784	0.9
622.33240	18.1
665.26025	4.9
665.36737	0.7
666.26544	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	665.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.6
57.03337	4.5
58.00475	2.6
59.01265	78.3
60.01605	1.2
69.49371	1.8
69.49786	4.4
71.01273	63.9
72.01614	1.5
72.21864	0.6
72.99181	3.9
73.02834	11.7
75.00762	2.1
81.03326	0.9
83.01276	7.2
84.02052	1.1
85.02349	1.3
85.02847	25.7
85.99985	0.7
86.03201	1.2
87.00784	6.7
87.04414	1.5
89.02341	27.7
90.96933	0.8
93.03357	5.9
95.01294	6.0
96.95902	3.0
96.96863	1.3
97.02850	2.5
98.19798	1.3
99.00787	6.0
99.04436	0.9
101.02348	35.1
101.06005	1.1
111.00781	2.1
111.04458	1.0
113.02362	34.9
115.40707	0.7
119.03439	8.7
119.04932	8.0
121.02888	2.1
125.02361	4.4
127.03931	1.1
129.01866	2.1
130.56856	0.8
131.03482	1.0
134.03653	1.8
135.04427	2.5
136.01575	2.1
137.02344	0.8
143.03432	5.1
145.02893	1.6
149.04449	1.4
150.05533	1.1
151.03937	2.7
155.03470	1.3
159.02924	2.3
160.51196	0.7
161.02412	1.7
161.04512	11.7
163.03937	2.6
173.04509	5.5
176.03488	3.2
179.03400	1.6
179.05588	2.6
191.05598	12.6
193.05032	1.4
199.66771	0.7
200.91406	0.7
233.09535	1.4
253.09367	0.7
267.07474	0.9
267.11096	0.8
269.13068	1.0
271.02719	0.7
278.37042	0.7
283.10010	1.0
307.10431	1.5
346.10461	0.9
357.13617	1.2
399.23950	7.8
417.25061	7.9
420.17349	0.8
491.19391	1.1
503.19730	1.1
519.21112	2.0
561.29291	100.0
562.29498	14.2
579.30328	64.9
580.30762	7.8
621.31409	21.4
622.31531	4.0
629.22302	1.2
665.18628	2.8
665.27173	1.9
665.38470	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	665.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01517	0.3
55.01775	5.9
57.03325	0.7
58.00481	0.3
59.01266	3.4
60.99176	0.5
61.98723	0.4
63.44837	0.2
67.01781	2.6
69.03355	0.7
69.93906	0.7
69.94321	0.3
71.01273	5.8
72.99207	0.8
73.02834	1.4
75.00766	0.4
81.03368	0.9
83.01271	3.1
83.04913	0.8
85.02841	6.6
86.61755	0.2
87.00772	2.0
89.02353	1.2
93.03362	19.6
94.03693	0.5
95.01310	0.2
96.95898	0.3
97.02869	0.3
97.84650	0.2
99.00781	0.9
99.04414	0.3
101.02351	0.9
108.02092	0.5
109.02861	2.2
111.00780	0.9
111.04428	5.1
113.02343	1.7
115.00320	0.2
117.03400	0.4
118.83372	0.2
119.04934	0.5
121.02924	0.3
123.04486	0.2
125.02385	0.4
125.89220	0.2
127.03941	1.0
129.01886	0.3
131.03423	0.5
133.02887	0.6
135.04453	0.5
137.01382	0.4
137.02383	4.8
145.02882	1.1
146.28964	0.2
147.04460	0.2
151.03876	0.2
152.09421	0.2
153.01877	1.0
155.03435	3.6
157.05022	0.5
161.02377	1.2
163.03949	0.8
171.02919	0.3
173.04526	38.7
174.04881	1.4
175.04016	0.2
177.01793	0.2
179.03465	0.5
183.13860	2.3
185.00185	0.2
191.05592	5.8
191.07054	0.3
193.15981	0.4
195.13893	2.0
213.05531	0.3
213.14961	8.5
214.15323	0.5
223.17021	0.3
227.16542	0.2
233.06616	0.5
247.08293	1.4
249.14938	0.4
262.31519	0.2
263.76651	0.2
267.16309	0.3
287.07867	0.7
305.08853	48.6
306.09192	3.8
323.09930	2.2
331.19174	1.5
455.11734	0.4
518.38086	0.2
519.24573	100.0
520.24933	14.7
520.30963	0.2
578.04688	0.3
621.28888	0.3
665.28192	3.8
665.38440	0.7
666.29419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18856	0.2
57.03331	0.3
58.76741	0.2
59.01269	3.4
70.88376	0.3
70.88709	0.5
71.01254	1.2
72.99231	0.3
73.02850	0.4
78.95835	0.3
85.02849	0.8
89.02352	0.4
89.03869	0.3
93.03342	0.3
94.34400	0.2
96.95918	3.3
99.00773	0.3
101.02335	0.6
105.03387	0.5
107.04971	0.3
109.02884	0.4
113.02358	0.4
117.03385	1.5
119.04935	2.7
121.02893	0.3
123.04465	0.3
125.02374	0.3
132.02103	1.7
133.02885	35.7
134.03314	1.2
135.04449	14.3
136.04802	0.8
137.02394	0.8
139.03903	0.4
144.00009	0.2
145.02879	2.2
156.08493	0.2
159.04459	0.3
161.02391	100.0
162.02733	5.0
173.04375	0.3
178.02637	0.5
179.03459	10.0
180.03824	0.4
191.05592	0.7
203.03534	0.3
271.02539	0.8
272.03186	0.2
299.02029	1.6
300.02359	0.6
381.08237	0.8
545.24103	1.9
546.24200	0.5
579.28180	1.6
621.29291	58.8
622.29663	11.3
665.29999	1.4
665.39691	0.4
666.29895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	3.2
61.98711	0.3
71.01286	1.6
71.35336	0.2
71.56151	0.3
73.02829	0.5
78.95781	0.4
83.01295	0.2
85.02853	0.6
89.02303	0.6
93.03374	0.4
93.30785	0.2
96.95927	2.3
97.02866	0.4
101.02348	0.5
105.03376	0.5
107.04944	0.3
113.02361	0.6
115.01853	0.3
117.03374	1.0
119.03411	0.2
119.04933	0.7
121.02908	0.3
123.04460	0.4
132.02127	2.2
133.02881	38.1
134.03603	1.8
135.04451	14.1
136.04784	0.6
137.02390	1.1
137.03362	0.2
145.02925	0.5
149.02376	0.3
159.04436	0.6
160.01627	0.4
161.02391	100.0
162.02728	5.5
173.04498	0.6
178.02634	0.5
179.03471	8.1
180.03783	0.5
191.05624	1.4
194.41782	0.3
203.03557	0.3
271.02496	0.4
299.02008	0.4
300.02399	0.5
353.08847	0.4
372.32910	0.3
401.14563	0.4
416.39249	0.3
454.22449	0.3
579.28259	1.7
581.18915	0.3
621.29291	65.2
622.29608	12.7
666.30347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03100	1.0
57.03327	2.9
59.01270	21.9
59.83116	1.1
67.01783	1.7
69.03352	2.6
71.01275	30.6
71.59670	1.4
72.99210	6.1
73.02846	3.2
75.00761	12.1
83.01294	2.6
83.04915	1.5
85.02847	27.0
87.00783	8.8
89.02331	11.5
93.03368	11.6
95.01266	5.5
96.95932	11.2
99.00781	8.8
99.04382	1.4
100.36707	1.2
101.02296	5.9
103.00301	2.7
108.02128	1.4
109.02888	1.2
111.00838	1.8
111.04446	2.0
111.75724	1.6
113.02364	28.3
117.01879	1.3
119.04955	10.1
121.02879	6.0
125.02380	1.7
127.03920	1.6
129.01892	2.3
134.03777	1.4
135.04533	1.3
137.02377	2.2
145.02930	1.6
149.04489	1.2
150.03206	2.5
151.00333	1.1
160.01740	1.6
161.02370	1.3
161.04561	1.2
161.13367	1.5
163.03957	6.2
165.01920	5.7
165.05551	1.4
173.04587	7.5
175.02434	2.0
179.03459	2.5
180.04269	4.2
181.05167	2.7
182.19429	1.1
191.05588	31.6
192.06024	2.3
193.04982	1.7
195.06580	13.3
196.07195	1.1
207.05290	1.2
209.15315	1.7
211.07703	2.9
213.31253	1.2
215.44708	1.2
216.49838	1.1
225.09290	4.3
233.71600	1.5
237.09180	2.2
243.08733	1.8
249.06238	8.3
267.07254	25.8
319.08344	1.8
327.08865	6.6
331.13406	7.0
332.13403	1.4
375.12421	4.5
473.12598	1.7
476.46838	1.5
503.21866	3.5
665.26965	100.0
666.16962	2.3
666.27252	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	665.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74909	0.3
55.45972	0.3
59.01249	0.9
63.02271	0.5
65.00220	0.6
71.05155	0.3
71.59467	0.4
71.59895	0.4
78.95797	0.4
83.01302	0.4
96.95834	0.4
100.52959	0.3
107.01283	1.1
109.02805	0.3
111.77278	0.3
123.04417	0.3
125.02305	0.5
133.02884	0.7
135.04417	0.7
143.04945	0.3
146.03654	0.3
147.38828	0.3
149.99474	0.3
151.00299	3.0
158.03696	1.0
159.04462	0.3
161.02403	2.8
162.02866	0.3
163.03885	0.3
164.00969	0.3
166.81628	0.3
171.04556	0.5
172.01736	0.4
173.02327	0.3
173.92174	0.3
175.03981	0.4
177.01897	0.4
178.99820	2.2
183.04341	0.3
185.02431	0.4
186.03221	2.7
189.01901	1.7
190.02692	0.4
191.05598	0.4
192.00639	0.6
198.03156	0.7
199.03951	1.0
201.01935	0.8
202.99861	0.3
203.03430	0.3
213.01862	0.3
214.02715	7.8
215.03352	1.1
216.00623	1.2
217.01381	1.0
218.02141	0.8
226.17429	0.3
227.03477	1.3
229.01532	0.3
231.45174	0.3
241.01440	23.6
242.02190	14.2
243.02977	3.0
245.00931	20.5
246.01294	1.2
255.03040	0.6
269.04532	0.4
270.01746	46.1
271.02487	28.0
272.02939	2.0
273.00394	0.8
282.01724	1.4
283.02521	1.3
285.04163	0.4
295.02527	0.3
297.04230	0.5
298.01242	29.2
299.02011	40.8
300.02374	2.7
311.02060	0.8
312.03009	0.4
313.03613	0.6
334.23318	0.4
341.02853	0.4
364.05984	0.5
433.07751	4.1
434.08191	0.4
461.07358	100.0
462.07703	10.3
462.12625	0.2
487.21436	0.4
527.12030	0.9
665.26178	43.2
666.26538	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	665.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.5
61.98713	0.8
63.02301	0.8
65.00236	1.3
71.59703	0.7
78.95792	1.4
83.01276	0.9
84.82966	0.4
89.02338	0.6
93.03292	0.6
107.01302	2.6
115.03940	1.2
123.00794	0.7
124.01592	0.6
125.02379	1.0
133.02878	2.1
137.02380	0.6
149.02374	0.5
149.99529	0.5
151.00308	8.0
155.04753	0.4
158.03632	0.7
161.02396	3.0
163.00322	0.6
164.81776	0.4
169.01421	0.9
170.03589	0.5
171.04515	1.0
174.03067	0.9
175.03972	0.7
177.02020	0.5
178.99850	4.0
179.03406	0.9
183.04471	0.6
186.03183	3.0
186.47594	0.6
187.03809	0.7
189.01913	2.0
190.99986	0.5
191.03421	0.5
191.05573	0.7
192.00584	0.7
198.03223	1.4
199.03966	2.0
201.01932	1.4
203.03540	0.9
211.03970	0.6
214.02727	7.8
215.03436	2.0
216.00702	1.1
216.04208	0.5
217.01369	0.9
218.02151	1.1
226.02718	0.5
227.03535	2.7
231.03026	0.6
241.01462	21.8
242.02180	13.2
243.02979	5.2
245.00940	24.1
246.01228	1.6
255.02969	1.9
270.01749	48.7
271.02512	42.6
272.03018	2.3
273.00519	1.5
282.01801	1.1
283.02612	2.4
285.04129	1.5
297.03922	1.0
298.01251	34.0
299.02017	73.7
300.02625	9.9
301.03577	7.7
307.37772	0.6
311.01996	0.6
313.03452	1.2
341.03281	0.7
417.26660	0.7
433.07813	5.1
461.07367	100.0
462.07687	8.9
468.95755	0.6
503.20673	0.9
534.97882	0.5
610.62079	0.6
665.26184	96.8
666.26563	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	665.262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48705	0.5
58.94615	0.5
59.01261	4.6
61.98725	1.1
63.02294	1.2
65.00221	1.3
67.65578	0.4
69.03343	0.7
71.01270	2.2
71.56380	0.8
73.02841	0.8
78.95808	1.0
83.01281	1.1
95.01286	0.7
99.04405	2.3
101.02332	0.9
107.01279	2.7
109.02904	0.9
113.02359	0.5
121.02862	0.5
123.00804	0.6
125.02395	1.5
133.02925	1.2
135.04555	0.6
137.02312	0.5
149.02512	0.5
151.00311	7.8
152.01094	0.8
158.03677	0.7
161.02388	2.5
163.00279	0.6
164.01108	0.6
167.10750	1.0
169.01375	1.1
170.03676	0.6
171.04442	1.3
174.03168	0.6
175.03998	0.6
178.99829	3.8
179.10522	0.5
179.14340	1.0
183.04422	0.6
186.03214	3.0
187.03954	0.6
189.01929	1.8
192.00577	1.0
193.01387	0.7
194.02087	0.5
195.13914	2.6
198.03276	0.9
199.04002	1.9
201.01903	1.0
203.03523	1.1
205.01505	0.5
205.12355	2.1
211.03973	0.6
214.02715	7.1
215.03268	2.6
216.00647	0.8
217.01469	1.0
218.02194	0.9
223.13396	19.8
224.13792	0.5
226.02658	1.1
227.03456	2.5
228.03970	0.6
229.01489	0.5
241.01427	23.5
242.02173	12.5
243.03041	4.8
244.03497	0.7
245.00934	21.9
246.01425	0.9
253.05026	0.5
253.09355	1.1
254.02214	0.6
255.03087	2.6
257.04681	0.7
270.01749	42.9
271.02518	36.2
272.03085	2.4
273.00415	1.3
282.01749	2.0
283.02588	1.9
284.03262	1.3
285.04218	0.7
297.98587	0.4
298.01248	29.1
299.02011	57.0
300.02722	14.9
301.03577	18.4
302.04059	1.3
311.02039	2.5
313.03699	1.0
341.03159	0.8
417.26538	2.4
433.07861	4.8
441.26508	1.1
447.21542	0.6
459.22244	2.8
461.07352	80.1
462.07785	7.8
503.20776	1.1
597.54895	0.5
665.26160	100.0
666.26563	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	665.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48428	0.2
55.01767	0.7
57.03334	0.8
59.01267	3.3
61.98720	0.5
69.03337	0.6
70.93056	0.8
71.01292	2.3
72.99203	22.4
73.02840	2.4
75.00761	0.3
78.35636	0.2
78.95782	0.3
82.95300	0.6
85.02853	2.2
87.00790	0.4
89.02345	0.7
93.03366	1.2
95.01303	0.3
96.95939	0.4
97.02882	0.6
97.82280	0.2
99.00767	0.8
99.04423	0.3
101.02352	1.1
108.02106	0.5
109.02933	0.5
111.00729	0.3
111.04427	0.4
113.02358	3.9
114.02773	0.2
117.03391	1.6
119.04951	100.0
120.05291	4.1
121.02889	1.7
123.04433	0.7
125.02371	0.5
131.03452	0.4
133.02872	0.4
133.06535	0.4
134.03609	0.3
135.04449	0.8
137.02374	0.7
141.40704	0.2
145.02902	4.9
146.00003	0.2
152.01108	1.0
153.01854	0.3
159.04459	0.3
161.02428	0.4
161.06097	0.5
162.03188	1.3
163.03967	60.3
163.11259	0.8
164.04317	2.5
173.04576	0.6
175.07498	0.4
179.03497	0.7
181.12328	9.1
182.12575	0.5
191.05566	2.2
193.05052	0.5
205.05072	0.4
215.07130	0.3
217.05023	0.5
219.06671	0.8
225.09355	0.3
225.11356	1.6
271.02628	0.4
277.07251	1.4
307.08328	0.7
308.64282	0.3
322.48505	0.3
325.09418	0.5
337.09705	0.3
341.87750	0.3
352.78122	0.3
371.11414	0.4
381.08441	0.5
409.11722	0.3
429.10495	0.6
439.12595	13.2
440.12952	1.3
457.13678	2.6
458.13708	0.6
497.27139	0.3
501.20038	0.3
521.25110	0.3
621.30933	0.3
665.24701	53.3
666.25134	9.5
666.35968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2164
Annotation	fagopyritol A3
Peak:m/z	Relative Intensity
57.03333	2.1
58.00476	4.8
59.01264	81.6
60.01618	2.1
62.88750	1.4
69.76102	8.9
69.76513	2.9
71.01272	100.0
72.99181	6.1
73.02829	7.4
75.00752	2.2
83.01269	4.4
85.02857	23.6
87.00766	6.5
89.02337	92.9
89.10491	1.5
95.01288	6.1
96.69952	1.5
97.02831	3.1
99.00801	3.1
101.01701	3.4
101.02351	57.5
109.32484	1.5
111.00792	6.7
113.02354	55.3
114.02705	1.7
119.03413	13.9
125.02361	5.1
129.01859	1.8
131.03416	5.5
143.03421	11.5
155.03436	1.8
161.04509	17.8
163.08383	1.4
179.05568	43.2
180.05827	2.2
203.05589	3.2
233.06773	1.8
323.09851	23.3
341.10977	18.7
342.11310	1.9
392.84546	1.8
395.12207	4.5
404.07004	1.8
485.15247	46.7
486.15564	4.8
503.16455	4.3
665.21625	98.1
666.21838	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	665.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61701	0.4
55.01789	0.3
57.03344	1.2
59.01271	5.1
61.98708	2.5
69.03376	0.7
70.36050	1.5
71.01276	3.2
72.99203	19.4
73.02840	3.1
77.71321	0.3
78.95803	0.6
83.01300	0.6
85.02851	2.9
87.00786	0.9
89.02351	0.9
93.03340	2.7
95.04937	0.9
96.95895	1.1
99.00788	0.8
101.02372	1.8
109.02890	0.6
111.04406	0.4
113.02367	3.6
117.03390	2.2
119.04948	100.0
120.05275	3.2
120.26036	0.3
121.02892	1.4
133.02882	1.1
134.03676	0.9
135.04459	1.0
137.02406	0.7
139.03918	1.4
145.02893	4.9
155.03413	0.4
159.04413	0.8
159.10341	0.5
161.02426	1.0
161.06013	0.7
162.03168	1.1
163.03966	60.3
163.11201	3.0
164.04317	2.4
173.04541	1.6
177.01880	0.6
179.03452	1.0
181.12306	11.8
182.12675	0.4
187.07700	0.5
191.05562	4.2
193.05009	0.7
195.08214	0.5
205.05016	0.7
209.11893	0.7
219.06635	0.9
225.11333	19.4
226.11682	0.9
227.12733	0.5
271.02591	0.5
277.07199	1.6
299.02008	0.8
307.08362	1.1
325.09366	1.2
329.17633	0.5
378.87817	0.4
439.12482	10.7
440.12973	1.1
457.13644	3.0
501.20224	0.5
605.35651	0.5
621.25793	0.6
665.24677	68.0
666.25073	11.4
666.34589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66835	0.6
57.03342	0.8
58.00476	1.4
59.01268	34.8
61.98717	2.9
71.01273	24.3
71.58161	0.8
71.58564	0.8
72.99196	2.4
81.78117	0.6
83.01283	2.2
85.02856	5.4
87.00761	0.7
89.02345	18.3
93.03368	0.8
95.01288	1.2
96.95913	2.7
99.39619	0.7
101.02356	12.0
112.55273	0.7
113.02376	6.9
119.03420	5.6
135.04411	0.8
161.02377	0.7
168.42252	0.8
179.05519	0.7
179.81427	0.8
188.55273	0.6
191.05592	1.3
192.48961	0.7
211.65828	0.7
215.07060	0.6
255.50842	0.7
331.19077	0.7
439.32309	21.5
440.32788	3.4
643.36731	0.7
648.17780	0.8
657.27460	0.7
663.37695	100.0
664.26764	1.3
664.38037	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	663.3764
Annotation	Esculentoside B
Peak:m/z	Relative Intensity
55.01760	0.9
57.03337	3.8
59.01263	4.5
60.99186	1.1
67.01788	0.4
68.99703	0.4
69.03331	0.6
71.01266	4.5
72.99194	2.1
73.02818	0.9
75.00761	14.2
78.95761	0.4
83.01293	1.1
83.04932	0.3
84.02052	0.3
85.02843	17.1
87.00775	2.4
89.02339	0.9
93.03360	1.2
95.01308	2.0
96.95926	4.2
97.02876	0.3
98.19601	0.3
99.00788	3.2
101.02331	1.0
111.00857	0.5
112.01557	1.4
113.02358	12.5
115.00278	1.2
116.01067	1.5
117.01833	0.6
119.04920	1.0
121.02876	0.4
123.08050	0.7
125.02362	1.2
129.01857	0.8
133.02890	2.3
134.03583	0.7
135.04402	1.6
137.02330	0.4
137.09695	0.4
139.00220	0.4
141.01578	0.3
145.02876	0.3
151.00304	0.9
153.09158	2.1
157.01389	0.8
161.02386	5.4
163.03955	1.0
163.06108	0.4
169.01416	0.5
173.04488	1.3
175.02396	0.7
175.03877	0.4
179.03444	1.5
191.05609	2.7
193.04993	0.6
199.04099	0.4
201.11212	0.4
235.28401	0.3
252.55928	0.3
255.03096	0.5
271.02481	2.0
299.01978	2.9
300.02579	0.5
339.05151	0.9
353.08774	0.3
393.31711	0.6
423.32831	1.0
441.14233	0.8
452.18857	0.6
467.31671	0.3
469.33572	0.7
485.32693	1.3
487.34396	11.1
488.34799	1.5
493.73874	0.9
513.10852	0.5
531.33521	0.6
587.36310	2.0
619.28796	4.7
620.29187	1.1
663.37634	100.0
664.38037	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	663.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.0
57.03326	1.0
58.00487	2.9
58.37430	0.4
59.01265	61.9
60.01615	1.1
61.98718	4.3
69.34242	1.5
69.34667	2.5
71.01271	46.5
72.01595	0.6
72.99205	5.1
73.02843	1.3
75.76654	0.4
78.95803	0.6
82.80975	0.4
83.01279	2.6
85.02840	8.9
87.00775	2.5
89.02338	51.5
90.02679	0.7
93.03364	1.5
95.01285	2.9
96.95898	2.3
96.96869	0.5
97.02816	0.4
99.04424	0.6
101.02349	24.9
102.02689	0.8
107.57330	0.4
111.00726	0.4
113.01772	0.2
113.02355	17.9
119.03421	21.7
125.02359	0.7
131.03423	2.8
133.02872	2.1
134.03694	0.8
135.04427	2.1
137.02426	0.5
143.03442	5.1
149.04498	2.1
152.99548	0.7
161.02434	3.0
161.04524	4.0
163.03934	0.6
173.04533	1.2
179.03545	1.0
179.05579	18.0
184.23772	0.3
191.05591	3.4
193.05019	0.6
329.17664	0.5
439.32257	100.0
440.32617	15.6
663.37665	68.4
664.38019	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15207	1.5
69.48916	1.9
70.75798	6.0
78.95794	64.9
91.56641	1.9
96.96865	36.8
108.64073	2.2
108.70190	1.9
173.75546	1.8
236.08852	1.9
267.10077	100.0
268.10446	5.8
411.93683	1.8
631.52911	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	663.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19004	0.4
55.01761	0.8
55.73092	0.4
57.03345	3.5
59.00990	0.6
59.01267	6.5
61.98725	4.0
66.69414	0.5
67.01752	0.6
71.01272	7.2
72.99191	1.7
73.02855	0.9
75.00771	14.5
76.63354	0.5
82.62209	0.5
83.01262	0.6
85.02851	17.0
85.21845	0.5
85.75194	0.5
87.00772	2.6
89.02337	1.4
95.01289	1.2
96.95898	1.4
99.00800	2.9
101.02348	0.7
113.02367	14.4
115.00285	0.8
116.01089	0.9
117.01913	0.5
135.04436	0.7
151.96210	0.5
157.01404	1.2
175.02452	1.0
177.01941	0.8
191.05647	2.0
195.31871	0.5
198.88707	0.5
229.79411	0.6
300.52853	0.6
422.92810	0.5
425.30475	1.6
437.30722	3.2
439.32184	4.6
455.31683	3.3
467.31879	3.1
483.31561	1.1
487.34442	7.5
488.34821	1.4
634.86377	0.6
663.37695	100.0
664.38043	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	663.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.8
57.03332	5.6
58.00475	1.2
59.01267	68.5
61.98717	3.3
67.01775	2.0
68.99706	1.6
69.03342	2.7
71.01274	42.1
71.56565	1.3
72.99201	8.1
73.02847	6.3
75.00364	1.1
75.00766	18.7
78.95807	2.2
80.02564	8.6
81.03349	2.0
83.01283	4.3
83.04874	1.5
85.02847	32.4
85.03361	1.7
86.03181	1.3
87.00766	9.7
88.20503	0.8
89.02337	13.3
93.03361	11.2
94.15457	0.8
95.01273	7.2
95.04922	1.0
95.46963	0.7
96.72324	0.7
96.95913	3.5
97.02848	1.0
99.00780	26.8
99.04431	5.8
101.02353	11.7
103.00264	2.5
108.02077	0.9
109.02856	9.5
110.06483	0.8
111.00797	3.3
111.04417	2.2
112.01594	1.2
113.02364	35.6
115.00248	1.2
117.01858	1.9
117.03352	1.2
119.03429	1.8
119.04951	6.6
121.02866	1.1
123.04461	6.8
125.02363	2.5
127.03920	1.4
129.01871	2.5
131.03394	1.3
133.02855	1.3
134.03635	1.6
135.04463	2.9
137.02382	6.3
143.03481	1.4
144.72565	0.8
145.02885	2.3
149.04417	0.9
151.00505	0.7
153.01886	7.3
153.05524	10.8
155.03465	2.1
157.01375	3.0
159.02977	0.8
161.02422	2.8
161.04544	5.1
163.03973	7.7
169.08714	0.8
173.04526	7.2
175.02440	2.9
175.03822	0.9
179.03416	2.4
189.12839	23.0
190.13136	1.7
191.05589	19.5
192.05893	1.3
193.04893	1.2
205.07181	1.8
207.13950	9.4
231.05132	1.2
233.09718	1.2
233.11838	3.3
237.09198	1.5
243.05106	0.9
249.06183	18.9
250.06357	1.5
251.12935	10.9
255.10246	1.0
267.07263	26.6
268.07544	1.2
315.11081	1.8
319.08133	1.1
325.16794	2.8
327.09302	1.4
347.18658	1.8
416.11658	1.0
439.19754	12.5
440.19901	1.5
483.18835	34.3
484.19473	4.9
501.19925	100.0
502.20313	13.0
543.20819	4.9
543.28198	27.8
544.21228	1.3
544.28528	2.9
561.29230	17.1
562.29663	1.2
573.21704	1.0
603.21796	5.4
603.31067	6.9
619.29700	1.6
663.25220	50.3
664.25616	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	663.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.7
67.31494	0.1
69.30305	0.5
69.30705	0.2
71.01263	0.3
73.02863	0.1
78.95786	0.8
79.95628	2.5
83.01276	0.1
85.02843	0.3
87.43560	0.1
89.02282	0.1
95.01275	0.1
95.19113	0.1
96.95915	100.0
97.02856	0.1
97.93048	0.1
97.95846	0.4
98.20622	0.1
101.02369	0.2
109.02885	0.1
113.02341	0.2
114.93312	0.2
121.81641	0.1
123.00787	0.2
124.01593	0.4
125.02366	1.7
133.02899	0.1
137.02364	0.2
139.00325	0.1
141.01918	0.1
141.13615	0.1
149.99513	1.0
151.00296	0.1
154.02728	0.1
161.02382	0.2
161.04416	0.1
166.99791	0.2
168.00589	1.9
169.01437	0.6
191.05579	0.1
191.27950	0.1
200.34515	0.1
205.08638	0.1
216.28642	0.1
299.02014	0.1
313.05713	0.1
317.21198	0.1
331.19232	0.5
441.14084	2.0
442.14362	0.1
461.25424	0.7
479.26755	0.2
521.27765	0.6
619.28070	0.2
663.26770	3.4
664.27448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90847	1.3
53.29471	1.3
58.00489	2.1
59.01271	35.7
61.98727	3.3
66.27469	1.6
69.03359	2.5
71.01273	46.0
71.29166	1.4
71.58261	1.2
72.99202	2.3
73.02847	9.6
75.00785	2.2
78.95821	3.6
80.96366	2.1
83.01273	7.4
85.02832	12.3
87.00776	56.3
88.86456	1.4
89.02341	32.3
95.01284	5.1
97.02873	2.1
99.00785	1.6
101.02342	26.9
113.02364	34.0
119.03409	9.1
121.66599	1.5
125.02353	3.1
131.03465	4.1
136.62961	1.6
141.01878	2.4
143.03435	7.7
152.99530	2.2
159.02832	1.8
161.04492	13.1
168.35118	1.5
179.05554	12.6
204.64841	1.7
273.22284	3.7
276.39349	1.5
277.21777	100.0
278.22153	8.9
291.19818	7.2
291.23361	18.3
292.23724	2.8
301.21912	4.0
319.22946	13.0
320.23206	2.2
323.09891	42.4
341.10974	89.3
342.11392	4.6
349.24033	2.1
367.13510	7.8
519.18848	1.9
577.27112	5.3
601.32440	17.1
602.31989	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36285	0.6
55.01774	0.7
57.03331	1.6
58.00483	2.5
59.01270	48.9
60.01600	0.6
69.27356	8.1
71.01273	47.9
71.52918	0.7
72.01588	0.6
72.99203	3.8
73.02829	2.5
78.95801	1.1
81.95952	0.6
83.01266	4.4
85.02843	7.8
87.00783	11.7
89.02343	49.1
95.01275	3.1
97.02865	1.9
99.00757	1.3
101.02352	24.3
113.02359	22.4
119.03423	21.6
125.02378	2.2
131.03412	2.9
143.03441	6.4
149.04503	1.3
161.04514	10.0
179.05583	20.9
191.05650	1.0
209.37935	0.7
221.78473	0.8
243.24408	0.6
273.22272	0.8
277.21799	100.0
278.22186	8.2
291.23312	4.1
319.22827	4.2
323.09900	31.2
324.10089	1.5
329.56464	0.7
341.10971	63.7
342.11282	3.2
349.23819	1.0
579.26990	1.0
601.32544	18.1
602.32697	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	661.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59103	0.3
57.98616	0.3
59.01265	26.8
59.44647	0.3
60.01580	0.5
61.98721	2.6
70.24833	0.2
71.01269	2.0
71.31129	0.3
73.02828	0.9
76.02779	0.3
78.95776	0.3
80.96425	0.3
83.01242	0.3
85.02851	1.6
87.00793	0.3
93.03352	0.4
96.95928	0.9
97.02874	0.3
97.06544	0.4
98.20594	0.5
101.02336	1.9
110.43167	0.3
113.02347	1.2
119.04967	0.3
123.04424	0.6
123.08089	0.3
133.02859	1.0
134.03531	0.2
135.04446	1.0
143.41702	0.3
147.08070	1.2
153.05533	0.8
155.81050	0.3
161.02400	1.9
161.04506	1.6
161.05678	0.3
161.09677	0.8
162.24033	0.3
163.03964	0.4
163.11230	1.9
165.09151	0.3
173.04530	0.8
179.03452	0.8
185.57301	0.3
191.05553	1.9
191.07092	13.2
192.07419	0.8
193.05014	0.3
195.06676	0.3
205.08684	10.3
206.09233	1.2
221.08199	1.5
269.10349	4.2
269.19278	0.4
271.02484	0.3
287.20288	0.4
289.18341	0.3
299.02139	0.4
310.12668	0.3
313.18115	0.4
331.19214	100.0
332.19562	10.6
349.20294	7.8
350.20645	0.6
563.49316	0.3
629.25928	0.4
648.42181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83791	0.2
59.01264	1.7
61.98703	0.3
62.39331	0.2
67.01746	0.2
69.03325	0.4
71.01250	0.5
75.00760	0.4
75.98081	0.2
80.02583	0.4
83.04904	0.2
85.02839	0.6
85.99185	0.2
87.00772	0.4
89.02297	0.2
93.03342	1.4
95.01214	0.2
96.95918	0.6
101.02382	0.3
108.02077	24.3
109.02417	0.7
111.04434	0.4
113.02357	0.5
119.04947	0.7
123.00780	0.3
123.04440	10.7
124.01563	0.5
124.04744	0.3
125.02380	2.0
133.02852	1.0
135.04446	3.3
136.04796	0.2
136.75505	0.2
137.02373	0.5
138.75972	0.2
145.02870	0.4
149.99533	0.6
151.00264	0.4
152.01089	50.0
153.01399	1.7
155.03424	0.8
161.02396	3.1
162.02827	0.5
163.03946	1.4
165.95477	0.2
167.03447	100.0
168.00591	2.2
168.03775	3.9
169.01364	1.0
173.04488	3.2
177.01964	0.2
179.03465	3.3
180.03831	0.4
189.36955	0.2
191.05557	2.4
191.07135	3.5
193.05051	0.2
205.05733	0.2
205.08678	2.5
209.04482	0.2
221.08327	0.6
299.01874	0.2
304.83185	0.2
329.08792	0.4
331.19214	24.1
332.19553	2.5
335.07938	0.5
337.09302	0.3
349.20297	0.3
353.08798	1.7
419.99890	0.2
441.13943	2.0
442.14270	0.3
455.22968	0.4
499.12555	3.3
500.12970	0.6
506.45291	0.2
515.11865	1.7
516.11804	0.3
554.14050	0.9
617.27997	1.2
661.24884	3.7
662.24963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
60.14592	0.2
61.42063	0.2
71.01255	0.5
71.57285	0.3
71.57672	0.2
78.68732	0.2
78.95819	0.2
80.02576	0.5
81.03339	0.2
83.45383	0.2
85.02847	0.3
96.95914	1.3
97.06465	0.2
101.02366	0.2
108.02081	23.8
109.02403	0.6
113.02325	0.4
122.03647	0.3
123.04443	10.8
124.04791	0.2
127.07516	0.2
148.43520	0.2
152.01097	52.5
153.01404	1.6
153.17181	0.2
161.02393	0.3
161.09709	0.2
163.11267	0.3
167.03455	100.0
168.03801	3.5
175.02621	0.2
179.03514	0.2
180.13435	0.2
191.05536	0.6
191.07118	1.9
199.85277	0.2
201.39519	0.2
205.08699	1.7
209.11917	0.2
218.64984	0.2
232.82114	0.2
263.76324	0.2
329.08749	0.4
331.19223	17.2
332.19559	1.8
349.20065	0.5
447.11469	1.0
617.28033	0.5
661.29645	2.1
662.29108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47811	0.6
53.55357	0.7
59.01265	67.5
61.98711	1.5
71.01259	2.1
71.57850	1.6
77.34582	0.7
81.03364	1.1
85.02830	1.7
97.02840	4.0
101.02361	1.7
106.93360	0.6
122.03654	2.0
125.02372	13.8
160.30594	0.7
161.04539	2.4
173.09772	0.8
187.11340	0.8
189.12843	19.1
191.05508	2.0
191.07109	3.9
205.08684	15.3
206.09100	0.9
207.10349	1.0
228.99527	0.8
269.19150	2.0
313.18170	100.0
314.18484	9.6
331.19217	10.5
339.19681	1.2
601.26709	7.2
602.27209	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55966	0.2
57.03337	0.7
59.01265	1.4
61.98719	0.8
65.00203	0.7
71.01257	1.0
78.95811	0.3
79.95621	2.2
81.03353	4.2
83.01271	2.8
85.02858	0.8
87.00780	0.4
93.03355	0.8
95.01282	0.3
95.04916	0.9
96.95912	73.3
97.02844	0.4
107.01318	0.5
109.02863	0.3
113.02356	0.3
116.92749	0.3
121.02865	0.6
123.04439	32.7
124.04801	1.0
125.02371	5.2
131.01323	0.3
132.02113	0.2
132.18893	0.2
133.02875	2.1
134.03629	0.3
135.04417	1.3
137.02408	1.1
137.05962	0.4
139.03972	0.7
145.02960	0.2
147.04469	0.3
148.67065	0.2
149.02368	0.8
151.00279	1.2
151.03964	0.9
161.02406	5.9
161.03714	0.4
161.42027	0.2
162.02809	0.4
163.03912	1.0
165.01927	0.3
166.02670	0.7
167.03447	100.0
168.03802	3.8
173.04541	0.4
175.00354	1.3
179.03456	2.1
180.04192	0.8
181.05038	2.3
191.03482	23.7
191.05455	1.9
191.07120	0.5
192.03792	1.0
192.05617	0.3
193.05058	0.7
205.08647	0.3
206.02248	0.3
207.02895	0.5
209.04541	7.9
210.04872	0.3
216.98112	0.3
221.04556	1.7
233.04544	0.6
234.99292	0.3
258.99179	0.5
262.98480	0.2
277.00317	1.7
311.07672	0.5
329.08847	16.3
330.09271	1.0
331.19211	3.4
438.30237	0.2
439.15887	0.6
519.22388	3.2
575.18280	1.5
617.28668	0.3
643.27734	0.3
661.28607	15.1
662.28961	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	661.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95137	0.1
59.01257	0.3
71.01283	0.3
71.04933	0.1
72.84586	0.1
80.02560	0.4
81.03373	0.1
85.02839	0.2
92.11704	0.1
93.03341	0.1
96.95905	0.6
99.00798	0.2
108.02078	27.1
109.02302	0.6
109.03038	0.2
123.04443	10.4
123.08092	0.2
124.04766	0.5
125.02406	0.2
133.02863	0.2
137.02391	0.2
147.08072	0.2
152.01093	58.4
153.01418	1.6
161.04568	0.1
163.03882	0.3
163.11208	0.3
167.03452	100.0
168.03786	3.7
177.01888	0.2
187.10982	0.2
191.05542	0.3
191.07089	2.1
197.80219	0.1
205.08684	1.8
206.09248	0.2
221.08354	0.3
329.09018	0.3
331.19217	17.7
332.19559	1.8
349.20303	0.4
444.64282	0.1
447.11563	0.9
601.27222	0.2
661.20709	0.6
661.30005	1.8
662.29852	0.3
688.44788	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	661.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88807	0.5
56.78468	0.6
57.03336	1.2
59.01263	7.0
69.03329	1.9
69.52643	0.5
71.01267	5.8
71.04895	2.2
72.00611	0.6
72.99195	0.8
73.02819	1.1
75.00770	4.4
78.95802	1.1
81.03347	1.6
83.01270	1.9
83.04925	0.9
85.02842	6.0
87.00751	1.5
89.02322	0.9
93.03357	3.6
95.01280	3.4
96.95919	5.6
97.02836	3.4
98.20553	1.7
99.00758	1.9
101.02335	2.2
106.80698	0.6
107.01267	0.7
108.02083	2.2
109.02849	2.3
109.99990	0.7
111.00773	2.4
111.04440	1.4
113.02364	6.1
115.00268	1.0
116.92732	0.6
119.04922	1.9
120.36036	0.5
121.02822	0.8
123.00807	7.3
123.04442	4.7
123.08058	6.2
124.01595	15.5
125.02371	55.8
126.02681	1.7
127.07626	0.9
133.02856	2.6
135.04448	3.5
135.43533	0.7
135.52965	0.6
136.01570	0.7
137.02385	4.3
139.00314	10.1
139.03914	0.9
145.02858	0.8
147.04637	0.5
149.02342	1.6
149.99529	27.8
151.00342	5.5
151.03851	0.9
152.01096	2.8
153.01901	6.9
154.01511	0.6
154.02660	9.0
155.03415	1.4
161.02397	3.9
161.04483	2.5
163.00323	1.0
163.03934	4.0
165.05672	0.7
166.02649	1.0
166.99835	4.2
167.03456	20.0
167.04875	1.0
168.00603	68.4
168.03667	3.1
169.01381	17.9
169.05051	7.8
170.01707	0.8
173.04501	11.7
179.03453	4.3
181.01372	1.8
189.09123	3.0
191.05762	4.0
191.06926	3.9
193.01389	1.7
198.01630	1.2
201.12779	0.7
205.08728	3.5
211.02400	1.1
221.08218	0.7
231.13852	0.9
231.55974	0.6
245.11906	2.7
263.12872	0.7
271.02518	1.4
285.18579	0.9
299.01950	2.0
303.19614	0.7
313.05710	4.1
329.09018	1.1
329.17645	25.1
330.17868	2.9
331.06760	1.1
331.10385	5.5
337.09421	3.6
338.09808	0.8
347.18695	10.2
348.19165	1.1
353.08661	1.2
423.12964	4.2
424.13412	1.0
441.14111	67.7
442.14386	7.6
499.12515	7.5
500.12976	0.9
538.17023	1.2
547.02606	0.6
617.28259	18.1
618.28400	1.9
661.25134	100.0
662.25470	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	661.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.5
59.01268	1.6
61.98717	0.2
65.00208	0.4
65.17579	0.2
67.01782	0.3
69.03345	0.3
69.49418	0.5
69.49834	1.0
71.01270	1.2
73.02824	0.2
75.00773	0.3
78.95781	0.2
81.03351	2.6
83.01285	0.6
83.04901	0.2
85.02838	0.8
85.06503	0.6
87.00793	0.4
87.04399	0.4
89.02336	0.3
89.55184	0.2
93.03368	1.6
95.04893	0.3
96.95940	0.8
97.02876	0.3
97.06503	0.7
99.00823	0.2
101.02363	0.4
107.01303	0.2
108.02104	0.2
109.02850	0.5
109.06518	1.6
111.04437	3.8
113.02368	0.5
113.06020	0.3
113.97454	0.2
119.04948	1.2
121.02894	0.3
122.03708	1.0
123.04436	0.4
125.02376	9.5
126.02724	0.3
127.07516	0.3
131.01349	0.3
133.02910	0.2
134.03703	0.3
137.02382	0.6
139.03943	0.4
145.02869	0.8
149.02446	1.0
151.00356	0.8
151.07594	30.1
152.01059	0.4
152.07899	1.5
153.01930	0.2
153.05507	0.5
155.03462	0.6
159.06570	1.3
161.02376	0.8
163.03966	1.1
165.05556	0.5
167.03467	0.4
173.04504	2.0
175.00327	0.6
177.05568	0.6
179.03444	0.6
179.07063	0.5
181.05028	0.2
183.06636	0.5
191.05595	5.2
191.07103	0.5
192.06001	0.3
193.08745	0.3
194.05815	0.5
195.06613	100.0
196.06960	5.1
201.05678	0.4
207.06549	0.4
209.08180	1.9
210.08603	0.2
211.07732	0.3
219.06638	16.9
220.06987	0.8
221.08182	0.3
225.07625	0.3
237.07706	6.7
238.08060	0.5
243.08737	0.4
249.07719	1.6
250.08009	0.2
261.07721	0.4
265.08530	0.2
297.09860	0.6
303.11084	1.1
319.08081	0.4
327.08890	0.4
339.10791	0.4
357.12003	29.0
358.12271	2.2
481.17627	0.2
499.18359	16.4
500.18619	2.2
541.19708	0.9
617.27710	0.5
655.58093	0.2
661.23590	9.7
662.24023	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2153
Annotation	BK 223B
Peak:m/z	Relative Intensity
53.61643	0.4
55.21413	0.4
59.01266	5.8
59.35225	0.4
61.98718	0.7
62.04085	0.5
68.07201	0.4
68.99700	0.6
69.03319	1.0
71.01268	7.1
72.99203	2.8
73.02848	1.9
75.00750	0.5
75.75657	0.5
81.03371	0.5
83.01279	0.9
85.02856	4.5
87.00783	1.0
89.02343	1.9
93.03375	1.4
95.01297	2.0
96.95887	3.0
97.02814	0.8
98.43215	0.5
99.00778	2.4
101.02347	2.9
101.62867	0.6
108.02079	51.7
109.02275	0.8
109.02894	11.1
113.02370	3.9
119.04939	1.3
121.02879	1.3
123.00815	1.4
123.04430	1.3
123.08096	1.4
125.02353	1.4
132.05737	7.9
133.02902	1.3
134.03648	2.1
135.04433	2.1
137.02390	1.5
142.22220	0.5
145.02969	0.8
147.04433	1.0
151.03944	2.3
152.01093	100.0
153.01802	5.5
158.03648	1.2
160.01602	2.6
161.02382	1.6
161.04497	2.5
163.03976	7.0
164.04720	5.4
165.05251	0.5
166.02769	0.6
167.03464	2.9
167.07092	0.7
173.04498	1.0
175.03976	3.3
177.01897	1.5
178.02632	0.6
179.03448	1.8
181.04950	1.0
187.11266	6.1
190.02702	0.5
191.05577	2.8
193.05014	2.7
197.11644	0.6
201.03954	0.9
207.02960	1.3
213.09178	5.2
223.29314	0.4
231.10295	4.6
232.10611	0.7
241.26656	0.5
243.05119	1.1
261.15042	1.1
271.08401	1.0
278.16684	0.4
315.07220	1.8
324.98264	0.5
329.17639	0.9
331.19156	0.9
429.10471	7.6
437.10400	0.6
447.11523	70.4
448.11850	6.7
468.78241	0.6
480.21689	0.6
496.68222	0.5
617.28247	2.0
661.21448	67.1
662.21832	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	661.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.5
61.98719	0.3
70.75043	0.2
71.01256	0.2
79.95625	2.9
85.02837	0.2
96.95913	100.0
97.95855	0.3
101.02366	0.1
116.92761	0.2
123.04437	0.3
124.02283	0.1
125.02371	0.1
133.02884	1.4
134.03673	0.1
135.04445	0.5
136.04837	0.1
142.76428	0.1
161.02394	5.0
162.02737	0.2
167.03441	1.0
171.16370	0.1
173.04564	0.1
179.03513	0.5
181.52666	0.1
188.98624	0.2
191.00145	0.2
191.03528	0.2
191.05630	0.3
193.05060	0.1
203.97435	0.1
205.98901	0.1
209.04503	0.1
216.98166	0.4
222.99178	0.1
230.99745	0.1
232.97670	0.1
233.01404	0.2
234.99342	0.2
237.98247	0.1
242.41306	0.1
248.97183	0.1
258.99255	0.7
277.00345	2.1
278.00916	0.1
329.09125	0.2
331.19116	0.1
339.15762	0.1
354.30447	0.1
370.60260	0.1
477.21472	0.1
512.09570	0.1
519.22485	3.0
520.22650	0.4
575.18188	1.8
575.26617	0.1
576.18750	0.3
617.19379	0.3
661.29114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63974	0.1
58.19556	0.1
59.01266	0.8
61.98721	100.0
65.13286	0.1
69.58185	0.2
71.01276	0.3
71.50475	0.2
71.50847	0.1
73.02855	0.1
78.29637	0.1
85.02862	0.3
89.02348	0.2
93.03397	0.2
96.95937	0.2
101.02380	0.1
111.04457	0.1
113.02425	0.1
119.04967	0.2
123.04446	0.2
133.02921	0.2
134.03676	0.5
135.04440	0.3
137.02357	0.2
160.01649	0.2
161.02449	0.2
167.03481	0.3
173.04558	0.3
177.01781	0.1
178.02678	0.2
179.03462	0.3
191.05618	1.0
193.05090	0.4
209.11778	0.2
213.15016	0.3
313.18219	0.2
320.84439	0.1
329.17841	0.2
330.18027	0.2
331.19247	0.1
447.73184	0.2
513.25806	0.3
513.75757	0.4
514.26587	0.2
563.17285	0.2
661.35382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86285	0.1
59.01266	0.5
61.98717	0.2
69.43046	0.2
69.43450	0.7
71.01250	0.1
72.19117	0.1
79.95626	2.3
83.01305	0.1
85.02830	0.1
93.03355	0.1
96.95914	100.0
97.95872	0.5
98.95496	1.4
98.96335	0.2
99.92495	0.4
115.91972	0.3
116.92767	0.4
117.03420	0.1
125.02365	0.3
133.02878	1.4
135.04411	0.7
137.02446	0.1
161.02391	4.3
162.02765	0.3
179.03462	0.8
188.98642	0.2
189.12885	0.1
191.00244	0.1
191.05524	0.5
201.01973	0.1
205.99010	0.2
213.95676	0.1
215.95247	0.7
216.95996	0.1
216.98180	0.2
217.96880	0.1
219.94695	0.2
220.95389	0.1
233.01349	0.2
234.99255	0.3
243.94611	0.1
258.99332	0.8
261.95834	0.3
277.00342	2.0
278.00784	0.1
313.18158	0.7
344.60025	0.1
413.15253	0.1
464.00696	0.1
464.57300	0.1
477.21539	0.1
519.22449	3.2
520.22723	0.6
534.91956	0.1
575.18311	2.0
576.18933	0.3
599.12799	0.3
617.19385	0.3
661.12567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	8.8
61.98717	17.1
69.03346	0.7
69.59128	3.3
69.59453	0.5
71.01276	4.9
72.65374	0.5
72.99207	0.9
73.02826	2.6
75.00780	1.3
81.03347	0.8
83.01299	1.1
85.02832	2.0
87.00772	1.4
89.02351	1.0
93.03352	3.3
96.95921	1.4
97.02846	2.4
101.02344	2.6
108.04441	0.6
109.02869	1.8
111.04454	1.2
113.02375	2.2
117.03366	1.0
119.04956	2.7
121.02850	0.5
123.00842	0.6
123.04446	0.8
123.08071	1.9
125.02393	2.6
127.07597	3.3
134.03685	0.6
135.04463	0.9
137.02341	1.3
138.05531	0.9
145.02855	1.5
147.04454	1.7
147.08054	0.7
148.05222	0.6
151.00310	2.0
151.04001	1.1
151.07536	2.6
153.01886	1.7
153.05507	0.6
155.03445	1.2
159.04488	0.6
161.02448	0.8
163.03961	2.6
163.07553	1.2
164.04440	0.5
165.01845	1.2
165.05571	0.8
166.05045	2.4
167.03387	0.6
169.01373	0.8
173.04500	3.3
177.05556	0.5
191.05559	9.3
191.07130	17.5
192.04265	0.8
192.07471	0.9
193.05006	0.6
195.06606	8.5
201.03923	1.2
203.14336	0.7
205.08684	11.4
206.09204	1.3
211.07558	0.7
219.06653	1.4
221.08215	2.7
235.07790	0.5
236.29510	0.5
237.07628	0.8
248.53246	0.5
251.07146	1.3
253.08493	0.5
257.08295	0.8
261.06088	0.8
269.19296	0.6
279.06686	0.6
313.18228	4.0
314.19049	0.5
323.05759	1.7
327.08691	0.5
329.17548	0.9
331.19223	100.0
332.19583	10.5
337.09485	0.6
341.10345	1.2
349.20288	24.9
350.20645	3.1
355.19186	0.7
357.11902	2.9
363.21762	0.8
373.20264	5.0
391.21356	3.3
441.14157	1.7
553.13440	0.5
556.53168	0.6
616.26953	1.0
617.27521	1.3
660.25555	0.7
661.15369	0.6
661.25403	2.5
661.35162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	10.2
61.98719	25.2
69.03330	0.9
71.01270	4.0
71.61077	1.2
73.02828	4.2
75.00759	0.8
83.01252	1.4
85.02839	1.3
85.32008	0.7
87.00791	0.9
89.02311	1.0
93.03366	1.1
97.02859	1.8
97.06480	0.8
101.02370	3.8
108.02077	2.7
108.04462	1.2
111.00848	0.8
113.02354	1.8
113.74428	0.7
119.04927	1.1
123.04441	1.7
125.02380	1.1
127.07568	9.4
138.05507	2.0
147.08113	1.5
152.01082	5.4
153.01582	0.9
161.09645	1.3
163.11223	2.5
165.05527	1.9
165.09041	0.7
166.05054	4.0
167.03461	9.3
168.00781	0.7
168.03786	2.7
171.08165	0.9
189.09161	1.0
191.05609	1.5
191.07120	15.7
192.07477	0.8
195.74704	0.8
201.09184	0.8
203.10693	1.4
205.08681	14.8
206.09201	1.6
221.08154	2.0
229.08655	0.7
254.05042	0.7
269.19180	1.6
310.05356	0.8
313.18161	3.3
329.17700	1.0
330.21619	0.8
331.19220	100.0
332.19598	12.2
345.20663	0.8
347.18713	1.1
348.19144	1.0
349.20285	40.0
350.20636	4.8
363.21832	1.4
373.20221	11.2
374.20435	1.5
391.21463	3.8
392.22092	1.0
415.21735	1.1
660.27283	1.1
661.25476	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01594	0.7
61.98707	1.1
72.96208	0.4
78.95795	8.4
86.18144	0.4
96.96877	0.9
98.20553	1.0
152.99538	5.2
194.81992	0.4
202.87479	0.4
207.10197	0.6
225.11406	1.4
272.43021	0.4
279.23361	2.8
361.11096	0.5
379.11584	0.9
415.22803	1.0
452.98730	0.4
557.16687	0.4
591.75916	0.5
641.35150	1.1
659.35284	2.1
672.22083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68513	0.3
53.81871	0.3
59.01265	35.1
60.01586	0.4
60.74150	0.3
61.98718	16.9
69.03335	0.4
71.01273	3.2
71.04908	6.2
71.57134	0.3
71.57507	0.4
73.02834	1.0
78.95789	0.3
83.01267	0.4
85.02838	1.9
88.98699	0.3
89.02364	0.3
95.01305	0.3
96.95892	0.7
97.02857	1.0
99.00769	0.7
101.02357	2.2
107.04926	0.3
109.02866	1.2
109.06463	0.3
113.02350	1.1
121.02920	0.4
121.06518	0.5
123.08078	18.0
124.08447	0.6
124.32494	0.3
126.34753	0.3
134.03638	1.0
135.04482	0.4
147.08025	0.3
150.98749	0.3
159.02910	0.4
160.01573	1.0
161.02400	0.6
161.04556	1.8
161.09674	1.4
163.11243	0.5
165.05463	0.6
167.03465	0.7
169.61806	0.3
173.04460	0.5
175.03951	1.2
177.12711	0.3
179.03540	0.3
189.09093	1.6
191.05598	1.0
191.07103	13.0
192.07503	0.5
193.05002	1.2
195.06618	0.4
201.12845	0.7
203.07013	0.4
205.08693	12.9
206.09155	0.9
207.10236	0.5
219.13901	1.9
221.08139	1.7
231.13879	1.0
245.11853	2.6
257.11975	0.5
259.20773	0.4
263.12973	0.6
269.10376	4.0
270.10669	0.6
273.15021	0.4
275.13016	0.3
285.18613	2.6
287.16766	0.4
301.18002	0.5
303.19730	2.3
329.17645	100.0
330.17981	10.6
347.18710	27.5
348.19016	2.8
623.27136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.6
59.01040	0.2
59.01272	1.3
61.98722	1.0
65.00217	0.4
65.13229	0.2
67.01818	0.2
69.03337	0.4
69.30259	1.9
71.01286	0.6
73.02845	0.2
78.95781	0.2
81.03352	4.2
83.01266	2.5
85.02868	0.8
87.00790	0.3
88.98725	0.3
89.02348	0.3
93.03391	0.6
95.04946	0.9
96.95930	0.8
97.02871	0.4
99.00784	0.3
99.04426	0.4
101.02389	0.4
107.01324	0.7
109.02876	0.4
111.00798	0.3
111.04494	0.2
113.02417	0.3
117.03396	0.2
119.04971	0.4
121.02888	0.6
123.04442	32.2
123.08079	1.6
124.04759	1.0
125.02359	5.2
132.02107	0.3
133.02896	2.4
134.03656	0.4
135.04451	1.6
136.07608	0.2
137.02332	1.1
139.03957	0.6
147.04453	0.3
149.02414	1.0
149.04488	0.2
151.00319	1.4
151.03989	1.5
152.01076	0.4
160.01591	0.5
161.02396	8.7
162.02708	0.4
163.03967	1.3
165.01888	0.4
165.05525	9.8
166.02733	1.0
166.05850	0.7
167.03448	100.0
167.20084	0.2
168.03812	3.9
175.00383	1.4
175.03943	0.7
178.02655	0.2
179.03477	2.1
180.04141	0.7
181.05040	2.8
191.03474	20.4
191.05350	0.8
191.06920	1.1
192.03809	1.2
193.05035	0.9
203.93697	0.2
205.08705	0.8
207.03029	0.4
207.10310	0.2
209.04552	7.0
210.04776	0.3
221.04572	1.8
233.04572	0.5
269.06824	0.3
301.03519	0.3
311.07648	0.5
327.10699	0.5
329.08875	14.6
329.17609	13.6
330.09311	1.2
330.17871	1.4
347.18704	0.3
372.80209	0.2
405.67755	0.2
412.39932	0.2
437.18237	3.9
438.18634	0.3
439.15829	0.6
521.24646	0.3
562.16919	0.3
583.25494	0.4
599.34772	0.4
615.15979	0.3
615.24921	0.3
617.77405	0.2
621.25183	0.6
627.25092	0.3
659.27765	15.7
660.28064	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	659.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.5
69.79876	0.4
69.80283	0.6
71.01273	0.5
71.04911	0.6
80.02579	0.3
85.02837	0.4
87.00779	0.3
95.01324	0.2
97.02895	0.2
100.08268	0.2
107.04977	0.2
108.02080	27.1
109.02413	0.7
111.04479	0.2
119.04963	0.2
121.06549	0.3
123.00871	0.2
123.04448	10.7
123.08073	4.5
124.04771	0.4
130.00850	0.2
152.01094	58.0
153.01413	2.1
161.09680	0.4
163.00359	0.2
167.03452	100.0
168.03783	4.0
178.02611	0.3
189.09206	0.2
191.05562	0.4
191.07092	3.7
192.07507	0.3
193.05017	0.4
205.08669	3.1
206.09303	0.3
211.06070	0.6
221.08179	0.3
241.07220	1.3
329.09137	0.6
329.17642	25.0
330.18008	2.5
347.18658	2.2
484.85138	0.2
659.25031	1.6
660.26093	0.3
686.83545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96877	0.2
53.51494	0.3
59.01268	2.5
69.40380	2.3
71.01270	1.9
71.39402	0.2
73.02848	0.5
75.00774	0.9
81.03384	0.3
85.02850	1.4
87.00797	0.7
89.02354	0.6
93.03365	0.7
95.01308	0.3
96.95935	0.5
101.02354	0.8
108.02085	23.1
109.02353	0.4
109.02946	0.4
111.04477	0.3
113.02354	1.6
117.03429	0.5
118.48847	0.2
119.04959	1.1
122.06107	0.3
123.04446	10.5
124.04755	0.6
133.02864	0.7
133.06482	0.3
134.03696	0.3
135.04437	0.3
137.02353	0.3
143.97699	0.2
145.02893	1.8
152.01099	52.8
152.07112	0.5
153.01460	1.9
160.30736	0.2
161.02455	1.4
163.03969	0.6
167.03456	100.0
168.03792	3.6
169.10089	0.2
171.08017	0.3
173.04492	0.6
173.05896	0.2
179.03526	0.4
182.03763	0.2
187.07617	0.8
187.11267	1.8
188.83772	0.2
191.05597	2.3
191.07124	0.5
193.05057	0.4
197.13362	0.2
205.08710	2.4
213.11237	0.2
215.07054	0.4
231.10292	0.3
236.65575	0.2
257.08170	0.4
267.17505	0.5
295.11249	0.3
307.11081	0.2
311.16592	2.0
329.17645	13.1
330.17960	1.0
347.18875	0.5
467.21429	0.3
479.26828	0.3
504.17688	0.8
536.20459	0.6
558.86182	0.3
615.27319	3.2
616.26935	0.4
623.29437	0.5
659.27057	1.5
660.26849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47409	0.2
59.01270	1.9
60.49197	0.2
61.98719	0.3
69.86365	1.0
71.01278	0.6
71.04913	0.5
72.99190	0.2
75.00771	0.3
76.97253	0.2
80.02583	0.5
81.03355	0.3
83.25672	0.2
85.02847	0.7
87.00768	0.4
92.30109	0.2
93.03367	0.5
95.01288	0.2
96.95910	0.7
98.19895	0.5
101.02341	0.4
107.04965	0.2
108.02081	24.6
109.02330	0.5
109.02959	0.3
111.00755	0.3
113.02344	0.6
117.03381	0.2
119.04996	0.3
122.06053	0.3
123.04443	11.0
123.08085	4.8
133.02879	0.4
134.03610	0.3
135.04367	0.3
137.02376	0.4
139.03917	0.3
145.02934	0.3
152.01096	53.9
152.07106	0.8
153.01419	2.4
161.02422	0.6
163.00378	0.6
167.03453	100.0
168.03799	4.2
173.04524	0.6
178.02682	1.0
179.03461	0.5
181.01447	0.2
183.06560	0.4
187.07776	0.3
191.05534	2.0
191.07129	3.2
193.05058	1.0
195.06650	0.3
197.04442	0.3
205.08701	4.0
206.08942	0.3
211.06100	1.3
215.07167	0.3
221.08244	0.4
231.10260	0.3
241.07191	3.7
277.09860	0.3
278.10623	0.2
285.18729	0.3
329.09277	0.6
329.17664	26.1
330.17969	2.5
347.18835	2.0
348.18958	0.3
467.20453	0.3
487.18570	0.2
504.17999	0.5
536.20593	0.3
562.16925	0.4
595.00732	0.3
597.11047	0.2
609.23566	0.3
615.26556	0.4
641.26019	0.3
659.24854	2.5
660.26733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.4
57.03338	3.3
58.00477	0.5
59.01268	27.2
60.09820	0.5
61.98715	1.8
67.01782	0.5
69.03351	1.1
69.69051	1.7
69.69484	1.1
71.01274	20.9
72.99201	3.9
73.02837	4.1
75.00768	22.3
76.01115	0.5
79.16845	0.4
83.01282	2.9
85.02846	26.3
87.00777	6.8
89.02345	4.5
92.12735	0.5
93.03358	1.3
95.01280	3.4
96.95924	1.0
97.02854	1.3
99.00780	7.0
101.02342	4.9
103.00291	0.9
108.02065	1.9
109.02870	0.8
111.00809	0.7
113.02362	24.7
113.90087	0.4
114.02684	0.5
115.00303	2.4
117.01857	1.2
119.03439	0.9
119.04959	1.1
123.04459	1.0
125.02403	0.9
129.01828	0.8
129.48047	0.4
131.03406	0.6
133.02902	3.7
134.03668	0.5
135.04449	3.2
137.02370	0.5
143.03410	0.8
145.02953	0.5
147.04413	0.6
152.01114	4.7
157.01373	0.8
159.02898	0.4
161.02379	6.4
161.04503	1.3
162.02750	0.8
162.89758	0.4
167.03459	7.3
173.04520	1.9
175.02477	1.7
179.03484	3.0
191.05589	3.2
205.08864	0.5
213.15005	1.6
214.15370	0.5
215.07126	0.8
217.15889	0.5
235.17050	1.4
257.08374	0.5
320.79895	0.5
329.17627	1.3
332.87302	0.4
379.58267	0.5
397.22714	0.4
553.13635	4.9
573.25745	0.5
615.26746	100.0
616.27106	20.6
616.37341	0.9
659.28375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.1
69.03341	0.9
69.81473	2.7
71.01280	2.9
72.99194	1.8
73.02853	1.1
78.67953	0.4
78.72392	0.4
78.95787	2.9
83.01310	0.6
85.02872	3.0
87.00767	0.8
89.02333	0.6
93.03377	2.8
95.01291	1.0
96.95911	0.9
96.96869	1.9
97.02840	0.5
98.20502	0.5
99.00808	1.2
101.02315	1.0
108.02079	54.9
109.02889	11.7
111.04446	0.7
111.08054	0.6
113.02378	1.3
117.03372	0.7
119.04945	2.1
121.02860	1.1
123.00823	0.7
125.02393	0.6
133.02902	0.7
134.03648	1.3
135.04445	2.0
137.02362	0.7
140.83612	0.4
142.43159	0.4
145.02875	1.2
151.03923	1.2
152.01093	100.0
153.01859	6.5
155.03490	0.6
157.08640	4.6
160.01550	1.0
161.02364	0.8
163.03961	6.3
173.04544	2.2
175.03969	1.4
177.01880	1.1
179.03435	2.0
181.12325	3.9
191.05597	5.9
192.05943	0.6
193.05005	1.1
199.13394	2.8
207.02960	0.7
211.13380	5.5
217.24301	0.5
229.14444	7.1
233.09485	1.6
270.76913	0.5
297.09827	0.9
315.07428	0.8
327.08865	0.6
410.11517	0.7
410.61545	1.1
429.10480	9.6
430.10770	0.8
447.11710	2.7
447.76822	0.5
448.11981	0.7
494.19437	0.5
659.25714	92.4
660.26013	16.4
687.22943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
59.01274	3.4
62.33118	0.6
69.03368	0.9
69.60077	3.5
69.60493	1.5
71.01282	4.0
72.99211	1.5
73.02854	0.8
75.00816	0.8
78.95806	1.9
83.01293	0.8
85.02846	4.3
85.54919	0.5
87.00758	1.5
89.02335	1.0
93.03353	2.3
96.95924	6.8
96.96853	1.6
97.02850	0.7
98.19817	1.4
99.00809	1.7
101.02348	1.6
108.02084	44.3
109.02920	9.0
113.02379	2.4
119.04954	2.3
121.02949	0.9
122.03716	0.6
125.02363	0.8
125.09599	0.9
127.11258	1.1
133.02852	0.8
134.03687	1.6
135.04472	2.5
137.02341	1.3
145.02922	1.0
151.00331	1.1
151.03943	1.4
152.01100	85.6
153.01868	6.5
155.03395	0.7
155.14441	0.7
160.01537	0.6
161.04521	1.5
163.03966	5.4
173.04514	2.5
175.03986	1.1
177.01816	1.2
179.03410	1.2
191.05611	9.5
192.05946	1.0
193.05003	1.0
195.06618	1.2
207.02925	0.8
229.14481	16.4
230.14650	0.7
233.09593	2.4
245.04756	0.7
283.02451	1.2
297.09869	0.7
299.01486	0.8
300.02460	0.9
301.03513	1.9
315.07227	0.9
357.09680	1.3
365.19965	1.2
429.10480	7.4
430.10568	1.0
447.11484	2.3
615.26434	2.0
616.27484	1.0
659.25696	100.0
660.26184	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	659.257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.1
57.03343	3.5
58.00466	0.4
59.01266	25.1
61.98714	0.9
67.01754	0.3
68.99699	0.7
69.03345	0.8
69.34924	0.3
71.01272	20.0
72.99199	3.5
73.02837	3.1
75.00764	20.2
77.06223	0.3
83.01282	2.2
84.02080	0.5
85.02843	22.2
86.03182	0.4
87.00772	5.8
88.98686	0.6
89.02344	4.6
90.15830	0.3
93.03345	0.6
93.38760	0.3
95.01279	3.0
96.95911	0.5
97.02837	1.0
99.00780	7.2
99.97258	0.4
101.02358	4.6
103.00266	0.6
108.02084	2.8
109.02861	0.6
111.00776	0.9
111.04417	0.3
113.02361	24.2
115.00285	2.7
117.01870	1.4
119.03400	0.9
119.04945	0.6
121.02821	0.4
123.04436	1.3
125.02366	1.2
129.01878	0.6
131.03387	0.5
133.02876	1.5
135.04462	1.5
137.02417	0.4
139.04066	0.3
143.03400	0.6
152.01076	5.0
157.01411	0.5
159.02969	0.6
161.02412	4.8
161.04541	1.0
162.02638	0.7
167.03458	9.7
173.04500	2.0
175.02486	2.1
179.03461	2.0
187.07712	0.4
191.05597	2.8
210.46902	0.3
213.14957	0.8
215.07228	0.5
220.09323	0.4
233.15720	0.3
235.17050	1.6
240.25414	0.3
257.08264	0.7
329.17657	1.4
397.22476	0.9
415.89786	0.3
452.77756	0.3
504.53690	0.3
508.99756	0.3
553.13837	1.9
573.25159	0.4
599.60638	0.3
615.26727	100.0
616.27032	16.7
659.29816	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	659.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62537	0.8
59.01256	2.8
65.15269	0.8
69.85873	3.6
69.86293	1.8
72.34507	0.7
73.02835	2.4
75.00757	1.3
78.95798	17.2
89.69822	0.9
96.96859	1.9
101.74946	0.8
127.84502	1.0
133.02905	1.2
135.04486	1.0
152.99544	9.6
171.10162	1.6
207.10313	1.5
211.13324	1.8
225.11366	3.7
231.05833	0.9
277.21719	1.6
279.23444	5.0
342.37637	0.9
361.10617	1.6
379.11493	2.7
441.19467	2.7
465.19318	1.1
467.21225	1.7
469.22440	3.1
479.20990	2.2
481.14975	1.1
493.18942	1.8
496.17535	4.5
497.18677	1.4
507.20718	1.6
509.18564	2.6
511.19983	1.8
512.17047	14.6
513.17651	2.2
514.18445	1.5
523.19806	1.8
524.20868	2.1
528.16528	5.9
535.16418	1.1
536.17340	5.2
537.17438	1.0
551.19073	2.4
552.19568	1.1
555.19098	12.3
556.19232	4.4
560.19641	0.9
583.22443	1.2
585.20142	1.7
623.35779	0.9
627.20953	4.9
628.21710	1.6
641.34259	1.8
659.23798	100.0
660.24042	26.4
660.34821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56856	0.5
59.01268	5.7
61.98718	19.3
62.51895	0.5
70.57652	0.5
71.01273	2.9
71.04909	8.7
71.44208	0.4
72.99184	0.5
73.02828	3.6
75.00768	1.6
83.01236	1.1
85.02840	1.5
87.00771	0.5
89.02316	0.4
93.03363	0.6
96.95912	0.5
97.02854	6.8
98.19691	0.8
99.00823	0.5
101.02330	3.0
109.02876	1.8
111.04426	1.8
111.61852	0.4
113.02331	0.9
121.06568	0.9
123.08081	29.1
124.08392	0.7
127.07576	1.4
133.02863	0.8
133.10165	1.1
134.03659	0.7
135.04442	0.5
145.10146	0.7
161.02405	0.5
161.04527	0.5
161.09662	1.5
175.07582	1.2
177.12860	0.6
189.09183	7.0
191.05577	2.2
191.07109	14.2
192.07437	0.7
205.08690	13.7
206.09062	1.3
217.15973	0.8
219.13950	1.4
221.08138	1.6
229.21536	0.6
231.13910	0.8
243.13876	0.7
243.17595	0.7
245.11874	1.8
259.13525	0.6
261.15112	0.6
263.12915	1.4
271.02393	0.6
273.15176	0.5
275.12827	0.7
283.02399	0.7
285.18665	1.4
287.13007	4.2
287.16232	0.9
299.12378	0.4
303.19739	2.1
327.19553	2.5
329.17654	100.0
330.18027	8.6
343.19229	1.8
347.18716	29.6
348.19107	2.6
353.17627	0.6
361.20255	3.6
371.18713	19.3
372.18985	1.3
389.19785	8.3
390.20084	0.9
419.21069	0.6
533.51587	0.5
615.26904	1.1
657.59015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31948	0.4
52.62720	0.4
54.14971	0.4
58.29878	0.4
59.01264	4.5
61.98716	2.8
69.59955	1.9
69.60382	1.2
71.01269	1.3
78.95791	4.6
81.89485	0.4
83.04889	0.5
85.02872	0.8
87.00761	0.6
88.98699	0.5
89.02365	0.7
93.03364	7.7
95.04935	0.6
96.95921	2.6
96.96856	0.9
99.00813	0.6
99.04435	0.5
99.08096	1.1
105.03370	2.2
107.04937	1.9
108.02072	4.9
109.02888	2.3
111.04391	1.1
113.02435	0.6
117.03393	1.2
119.04937	0.7
121.02890	1.1
121.06496	1.2
123.04419	4.5
123.08053	0.4
132.02113	0.8
133.01840	0.9
133.02882	27.5
134.03716	6.8
135.04449	100.0
136.05309	11.0
137.02382	6.8
137.05525	3.4
139.03964	1.0
141.07097	0.6
148.05266	0.7
149.02380	0.7
149.06039	2.8
150.03163	0.7
150.06801	4.5
151.07162	1.3
152.01094	8.6
152.99545	4.3
161.02394	55.4
162.02733	2.9
162.06789	0.8
163.07545	1.1
164.08316	1.8
165.05544	7.3
165.06961	0.6
165.09161	4.3
166.09540	2.5
167.03456	16.3
171.10240	1.0
173.04501	0.8
173.71440	0.4
177.01892	1.6
178.02698	1.4
179.03464	62.4
179.10635	0.9
180.03761	2.6
181.04996	0.8
183.08080	0.9
185.06010	0.6
191.05545	2.6
191.07135	3.2
193.06558	1.3
193.12346	1.5
203.03494	0.6
205.08688	2.4
209.06020	3.0
210.06738	1.1
211.07632	20.3
212.07945	1.4
221.08165	0.5
223.00128	0.7
225.14984	2.3
229.08696	0.5
231.03587	0.4
241.01196	2.1
243.16037	1.2
255.06712	9.7
256.07056	0.7
257.12985	1.7
258.13419	1.1
266.97244	0.5
271.02502	1.2
273.07684	2.3
299.02109	1.3
299.05737	1.7
300.02509	0.6
301.11945	1.4
302.12350	1.2
315.04947	0.7
317.06805	2.7
324.76416	0.4
329.17612	2.2
329.23419	1.5
330.23569	1.0
331.15305	1.0
331.19214	16.8
332.19412	0.7
335.07733	1.7
343.24899	3.5
347.18683	1.0
365.08969	2.5
432.31378	0.6
435.11215	1.1
435.30692	2.0
439.16165	0.6
449.32651	2.0
450.33176	5.8
451.33325	1.5
453.11844	0.5
477.32016	0.9
478.32516	1.8
479.09973	3.9
495.33221	4.7
496.33765	12.6
497.10995	12.2
497.33755	3.5
498.11298	2.0
615.25360	2.5
658.39038	49.1
659.14178	49.9
659.30145	12.7
659.39423	14.3
660.14545	9.0
660.31128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55753	0.3
57.03336	0.8
59.01264	6.3
61.98717	7.0
61.99015	0.8
69.03333	0.6
69.43950	3.9
71.01268	2.2
83.01216	0.4
85.02837	1.8
87.00756	1.3
89.02344	1.7
93.03367	2.1
95.01287	0.4
95.04890	0.5
96.95908	1.8
97.02872	0.6
99.04419	0.9
101.02380	0.6
107.04890	0.5
108.02054	0.5
111.04421	0.8
111.08064	0.8
113.02361	1.1
113.05998	0.5
119.04933	1.7
120.04452	1.4
121.05264	1.0
121.06490	1.0
122.06036	2.7
123.04430	0.9
125.02329	0.8
133.02817	0.6
134.03676	0.7
134.06047	1.0
135.04471	2.8
135.06833	0.4
136.05241	21.6
136.07597	5.1
137.02370	1.2
137.05669	0.8
145.02899	0.7
146.04759	0.4
147.08049	1.0
148.05283	0.7
149.06046	6.8
150.06816	20.5
151.03978	0.5
151.07449	1.4
152.01115	0.9
152.07092	1.2
155.10715	0.5
161.02353	1.9
161.09650	0.6
162.06848	2.4
163.03951	0.7
163.07596	4.3
164.08385	5.5
165.05530	5.6
165.09172	10.1
166.09485	0.6
167.03444	0.7
171.11734	1.2
173.04544	1.6
175.04037	0.4
176.08395	0.7
177.09131	0.7
178.09998	0.9
179.10747	5.7
187.07793	0.6
187.11264	1.2
190.05095	1.8
191.05577	4.6
191.07143	0.7
193.05017	0.7
195.06618	3.9
198.29428	0.5
199.09955	0.7
205.08731	1.9
209.11919	0.7
214.12340	4.1
227.08347	0.9
229.09885	1.9
230.11891	1.9
241.09886	3.6
242.10619	5.8
243.10873	0.9
251.20290	0.5
255.03140	0.5
257.13010	35.1
258.13385	4.0
283.02423	0.8
299.01926	0.9
299.10516	1.0
301.12009	44.5
302.12344	4.6
311.16656	1.2
313.23859	1.1
315.21854	5.2
316.22168	0.5
319.22772	0.7
327.10809	0.6
329.17667	7.5
329.23413	4.6
330.18048	1.0
347.18787	0.8
353.08932	0.4
354.07150	0.5
355.13211	2.5
356.13748	0.6
406.08746	0.4
416.29315	0.7
431.31812	0.8
432.31836	0.5
433.33594	0.4
434.30405	5.2
435.30869	1.2
448.31854	1.0
449.32901	11.6
450.33368	2.3
476.31494	1.0
477.32147	3.5
479.33942	0.5
480.31351	0.5
482.92877	0.5
494.32568	4.2
495.33389	35.7
496.33609	5.4
563.22919	1.0
581.24377	0.6
615.32843	0.6
657.38757	100.0
658.28424	0.9
658.39111	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	657.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81222	0.2
52.82129	0.2
57.17889	0.2
59.01268	0.8
61.98718	7.4
62.98394	0.2
66.19836	0.2
69.93214	0.7
71.01280	0.4
85.02840	0.3
93.03349	1.0
96.95917	0.5
97.02855	0.3
101.02345	0.4
102.98504	0.2
113.02370	0.4
117.03400	0.3
119.04946	100.0
120.05280	4.8
127.07516	0.2
134.06068	0.2
136.13779	0.2
147.04448	1.8
155.72658	0.2
160.92267	0.2
161.02376	0.3
162.70732	0.2
163.03957	70.3
164.04285	4.2
165.04323	0.3
165.05559	2.5
173.04477	0.3
185.16350	0.2
191.05574	0.6
191.07098	4.7
192.07468	0.4
205.08687	3.7
206.09160	0.6
209.11858	0.2
210.96069	0.2
221.08200	0.5
313.18219	0.3
325.09344	1.9
326.09692	0.2
327.10995	0.3
329.17801	0.9
329.21240	0.2
330.17923	0.2
331.19226	34.9
332.19547	3.7
347.18787	0.3
349.20270	0.7
373.38239	0.2
437.68442	0.4
438.18628	0.3
565.88483	0.2
656.77332	0.4
657.29053	4.8
657.37933	0.4
658.29517	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48476	0.1
59.01257	0.9
60.44823	0.1
61.98720	2.2
64.01691	0.2
69.73167	1.0
71.01266	0.5
78.95816	0.2
79.05418	0.2
85.02863	0.2
88.89941	0.2
88.98729	0.2
93.03364	1.0
95.04948	0.2
96.95905	1.0
97.89824	0.1
98.95515	0.3
99.00774	0.2
99.92491	0.1
101.02368	0.2
105.03377	0.4
112.96474	0.1
113.02352	0.2
116.92764	0.5
117.03384	0.3
119.04946	100.0
120.05272	4.0
121.06472	0.2
123.03584	0.2
123.04437	1.0
123.08087	0.6
127.07541	0.2
130.87126	0.2
133.02888	0.3
134.03673	0.5
135.04420	0.4
145.02922	0.3
147.04532	0.2
147.08159	0.2
149.02420	0.6
160.01599	0.3
161.02441	0.8
161.40262	0.2
163.03958	73.3
164.04301	3.7
165.05533	5.3
165.06622	0.1
166.05966	0.2
171.10260	0.2
173.04604	0.3
175.03975	0.7
179.03459	0.3
188.09866	0.1
191.05568	1.3
191.07143	3.0
192.05801	0.2
192.07463	0.2
193.05025	0.4
195.06615	0.3
205.08694	2.3
206.09106	0.3
221.08247	0.4
271.02585	0.2
275.13138	0.2
319.22803	0.6
325.09341	1.9
329.17676	1.8
330.18140	0.2
331.19220	26.4
332.19604	3.0
349.20483	1.1
367.48160	0.2
436.91605	0.2
449.14609	0.2
621.25854	0.7
622.27350	0.2
657.29333	6.2
658.29388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52773	0.2
59.01266	4.0
61.98722	1.0
71.01271	2.3
78.95798	0.5
79.02293	0.2
85.02857	1.1
87.00772	0.4
89.02353	1.5
89.03851	0.3
93.03362	0.7
97.02834	0.3
98.20549	0.6
99.00778	0.3
101.02350	1.0
105.03383	0.5
109.02824	0.4
110.46578	0.2
111.04484	0.2
113.02353	0.8
115.01817	0.3
117.03386	1.6
119.03397	0.2
121.02849	0.6
123.04442	0.4
132.02098	1.6
133.02885	33.7
134.03755	2.6
135.04457	15.0
135.05257	0.2
136.04790	0.7
137.02376	1.1
139.03943	0.4
148.05208	0.3
149.06039	1.1
152.99530	0.3
160.01596	0.3
161.02396	100.0
162.02736	4.5
163.03964	0.4
173.04517	0.7
175.03909	0.3
177.04048	0.5
177.05479	2.7
178.02682	0.7
179.03467	13.8
180.03880	0.6
191.05589	1.6
193.05035	1.0
203.03505	0.3
209.91481	0.3
213.14983	0.3
221.04550	4.0
251.05695	1.2
281.06723	3.1
282.07162	0.3
299.02072	0.6
300.02643	0.4
331.19473	0.4
333.11725	0.2
339.07297	0.7
341.08652	0.4
367.10428	0.5
381.24469	0.2
475.08679	0.2
587.23975	0.2
631.30780	0.3
639.27521	0.4
657.29340	83.6
658.29681	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	657.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08564	0.2
55.28848	0.1
59.01263	12.4
61.98708	0.4
68.73874	0.1
71.01276	0.1
71.59437	0.2
71.59799	0.2
73.78300	0.2
78.95811	0.2
79.63963	0.2
81.03364	0.5
85.02882	0.2
88.90358	0.1
93.03357	0.6
93.07011	0.3
95.04940	0.8
96.95918	0.2
97.02840	0.3
107.04944	0.6
108.02074	0.4
109.02861	6.8
109.03611	0.4
109.06503	3.9
119.04081	0.2
119.04942	4.6
121.02872	6.6
122.03693	1.3
133.02882	0.2
133.06435	0.2
135.04453	6.3
136.04816	0.2
137.06015	31.5
138.06351	1.3
153.60539	0.1
161.02406	0.5
179.03455	0.4
181.05029	100.0
182.05362	4.8
189.12807	1.1
189.26067	0.1
191.05533	0.7
191.07069	0.3
191.39830	0.2
205.08626	1.0
223.06041	0.3
257.07999	0.2
281.95291	0.2
313.18158	9.1
314.18600	0.9
325.09360	0.9
331.19177	0.8
332.19403	0.2
343.10403	37.6
344.10706	2.9
414.17474	0.2
451.24643	0.2
495.23877	0.4
657.29315	6.3
657.46375	0.4
658.29840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
56.20895	0.5
57.03338	2.9
58.34028	0.5
59.01265	22.5
61.98714	0.8
63.79039	0.5
65.09595	0.5
67.01779	1.0
68.73454	0.4
68.99696	1.0
69.03317	0.9
71.01271	21.3
71.01668	1.3
71.58366	1.1
72.99193	4.9
73.02830	4.1
74.27879	0.4
75.00767	21.3
76.67619	0.5
78.95802	1.0
81.03333	0.8
83.01281	2.5
85.02843	21.8
86.03176	0.8
87.00774	7.4
89.02335	3.9
93.03368	5.5
94.03680	0.6
95.01286	2.4
96.95931	2.6
96.96864	0.6
97.02849	2.0
99.00781	6.8
101.02339	4.4
109.02840	0.9
111.00845	1.0
111.04416	1.1
113.02354	22.5
115.00284	2.2
115.29060	0.5
117.01855	1.5
117.03403	0.6
117.04487	0.5
119.04957	3.9
120.99570	0.9
121.02914	0.5
125.02327	0.8
129.01859	0.8
131.03432	1.8
133.02881	0.7
134.03659	0.7
135.04439	1.9
137.02312	0.9
137.05963	0.5
138.05536	1.2
143.03423	0.6
145.02907	1.9
152.01080	1.0
155.03416	1.3
157.01328	0.8
161.02431	0.7
161.04503	0.9
163.03934	4.1
166.05119	2.7
171.12125	0.5
173.04517	6.5
173.13228	1.1
175.02507	2.4
175.03868	0.8
179.03419	1.3
191.05576	12.0
191.07069	0.7
192.05898	0.7
193.05119	1.2
196.27998	0.5
203.14330	0.9
205.08765	0.6
211.07613	1.0
215.14409	2.8
229.08675	0.5
231.94464	0.5
233.15506	8.0
327.08853	1.0
329.17719	2.8
331.18845	0.8
347.18774	1.1
410.11252	1.8
535.23511	0.6
576.20734	1.4
576.71362	1.4
613.25134	100.0
614.25513	19.1
657.24500	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03330	2.2
59.01022	0.4
59.01266	3.4
61.98719	0.9
67.01785	0.5
69.03347	1.6
69.38278	1.6
69.38713	1.4
71.01269	4.2
72.99200	20.6
75.00750	0.5
78.95793	0.8
81.07246	0.3
83.01285	0.4
85.02834	3.1
87.00778	1.6
89.02345	1.5
93.03378	4.3
95.01331	0.5
96.95926	2.1
96.96867	0.8
99.00783	1.5
99.04493	0.4
101.02348	1.2
108.02091	1.2
109.02847	1.0
111.00819	0.5
111.04411	0.7
113.02365	4.1
115.00282	0.3
117.03393	1.5
119.04948	100.0
120.05292	4.5
120.99564	3.4
121.02885	1.8
123.04450	0.8
125.02325	0.3
127.11222	4.2
127.80039	0.4
130.55331	0.3
131.03445	0.7
133.02893	1.1
133.06456	0.5
134.03650	2.3
135.04448	1.1
137.02382	1.2
139.11227	0.5
143.03479	0.5
143.04929	0.7
145.02893	4.6
147.04459	0.3
151.00294	0.3
151.03922	0.8
152.01086	2.7
155.03432	0.5
160.01659	0.6
161.02359	1.7
162.03201	1.3
163.03961	73.8
164.04288	3.4
167.03479	0.8
169.12250	0.8
171.04532	0.4
171.10246	1.1
173.04483	2.4
175.04002	1.2
175.07631	0.4
176.04623	0.4
177.01913	0.4
179.03424	1.7
185.06131	0.4
191.05589	11.8
192.05923	1.0
193.05063	2.8
194.05779	0.6
195.04996	0.6
195.06609	1.0
196.54866	0.4
199.04033	0.7
201.01999	0.4
205.05072	0.9
209.08177	1.4
211.07658	0.4
215.03423	0.4
217.05017	0.6
217.10966	1.0
217.14447	19.6
218.14830	0.7
219.06737	0.7
227.03448	0.6
243.12442	0.6
255.02979	0.5
271.02539	4.4
272.02930	0.5
277.07239	1.3
283.02609	0.8
299.02039	11.3
299.05405	0.8
300.02496	1.5
307.08398	0.8
325.09378	1.0
327.08765	0.7
337.09317	0.8
409.73386	0.3
439.12549	17.3
440.12912	2.6
447.11520	0.6
457.13614	21.9
458.14053	2.4
559.70483	0.4
639.29663	0.5
657.27844	62.1
658.28131	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	657.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.9
57.03321	1.0
58.00476	1.2
59.01266	79.3
60.01582	1.4
71.01273	17.5
71.57606	1.0
71.58058	1.5
71.58418	0.9
72.48839	0.9
72.99194	0.9
73.02837	2.1
77.54303	0.8
81.03353	1.5
83.01274	1.1
85.02835	7.3
87.00751	5.1
89.01826	1.5
89.02344	21.8
93.03359	13.0
95.01285	1.8
96.95910	2.2
97.02820	1.3
99.00757	1.3
101.02345	9.3
109.02837	1.3
111.00795	1.4
111.04435	2.4
113.02342	9.8
117.03396	1.0
119.03434	8.1
119.04934	7.5
125.02305	1.0
129.01813	1.8
131.03421	1.6
132.02000	0.7
133.02898	1.1
134.03671	2.1
135.04506	1.3
137.02368	3.9
143.03409	2.4
145.02914	2.1
149.02405	1.3
149.06033	1.0
151.03976	1.2
152.01033	1.4
153.01732	0.9
155.03448	1.1
161.02400	7.7
161.04553	2.7
163.03958	5.0
165.01897	29.8
166.02271	1.2
173.04459	8.1
175.03943	0.9
176.04778	5.1
177.01901	8.9
179.01895	0.9
179.03456	18.3
179.05580	7.3
180.04260	23.8
181.04817	1.8
191.05586	37.6
191.07095	2.1
192.04269	5.7
192.05891	2.2
193.04849	2.0
194.05827	15.7
195.06604	45.4
196.06920	2.8
200.66304	0.8
201.03992	2.1
207.06664	7.9
209.08192	35.7
210.05302	8.4
210.08475	1.8
211.07622	3.9
225.07697	100.0
226.08026	5.0
229.94418	0.9
265.08679	1.1
271.09985	1.1
283.02682	1.3
314.14526	0.9
319.08298	1.6
327.08850	1.5
335.08267	0.8
337.09357	2.7
387.13351	1.7
435.16696	9.6
436.17032	1.4
492.00647	1.2
493.13971	1.1
613.14526	1.0
636.17560	1.1
657.17749	6.9
658.18414	1.3
687.14288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
59.01269	2.1
61.98733	1.9
61.98997	0.4
67.01772	0.3
69.03328	0.6
69.30859	0.6
69.31269	2.6
71.01274	3.4
72.99204	1.1
80.78274	0.4
81.03336	0.5
83.04930	0.3
85.02838	3.3
87.00773	0.6
89.02346	0.8
89.89083	0.4
93.03374	1.8
95.01290	1.0
96.95918	0.4
97.02882	0.4
98.19704	0.5
99.00795	1.6
101.02333	1.6
104.73823	0.3
108.02081	53.1
109.02901	10.3
111.08077	0.7
113.02357	2.2
119.04969	1.2
121.02866	1.2
123.00808	0.9
123.04419	0.9
123.08044	0.5
125.02328	0.6
133.02885	0.7
134.03706	0.6
135.04445	1.2
145.02895	0.5
147.04378	0.4
151.00325	0.3
151.03957	1.1
152.01094	100.0
153.01836	6.1
155.03453	0.3
159.02928	0.4
161.02409	0.3
161.04489	1.2
163.03967	5.6
165.05487	0.6
165.12820	4.2
167.03447	1.1
173.04478	0.9
175.03973	0.3
177.01917	0.7
179.03442	0.7
183.13878	16.3
184.14238	0.8
191.05605	3.7
191.07149	0.7
192.05893	0.6
207.02971	1.1
209.04568	0.5
209.11778	0.7
227.12883	3.6
264.21082	0.3
271.08325	0.6
278.99597	0.3
315.07413	1.5
329.17548	1.2
331.19183	0.5
347.18573	1.3
362.22800	0.3
403.12485	1.0
429.10397	7.6
430.10959	0.6
447.11581	8.7
448.12006	0.8
502.19690	0.3
613.25104	2.4
614.25488	0.5
639.22821	1.7
657.24152	87.3
658.24487	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	657.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50028	0.9
59.01265	100.0
60.01580	1.7
66.63633	0.8
67.01762	1.1
69.47769	4.5
69.48186	2.3
71.01264	2.9
78.95784	1.1
79.52812	0.9
84.14836	0.8
85.02828	5.5
87.00765	3.2
93.03361	15.4
96.13740	0.8
96.95904	2.5
99.00760	1.3
111.00847	0.9
111.04411	3.0
116.92752	4.1
119.04935	6.0
120.74796	0.9
133.02908	1.1
134.03679	1.8
135.04436	1.4
137.02356	6.3
141.82870	0.8
145.02904	3.2
152.01045	1.3
153.01852	1.0
155.03453	2.8
161.02415	4.8
163.04013	6.8
164.01114	1.1
165.01880	32.3
166.02180	1.4
173.04529	8.7
176.04733	2.8
179.03464	20.1
180.04245	25.0
181.04657	1.5
191.05583	38.1
191.07089	1.5
192.05951	2.0
193.04996	0.9
194.05801	10.0
195.06599	44.7
196.06868	1.6
200.99800	0.9
209.08192	23.8
210.05287	6.9
210.08461	1.7
211.07623	4.1
223.07697	1.1
225.07686	75.0
226.08046	3.9
237.09230	1.6
265.08652	1.6
283.02444	1.7
301.03793	1.2
319.08337	1.6
327.08807	3.1
329.10306	1.1
337.09253	2.0
357.09897	3.1
372.12003	5.3
387.14624	28.2
388.14694	3.3
435.16714	25.9
436.17023	3.2
439.14099	1.3
483.13058	2.0
501.14078	1.6
507.99667	1.0
538.22668	1.1
657.18152	9.0
658.17548	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36860	0.4
55.01770	0.9
57.03341	2.8
58.00469	0.6
59.01264	18.8
61.98472	0.5
61.98726	5.8
63.80833	0.5
66.57191	0.4
68.99687	1.1
69.03344	1.1
69.92440	2.7
71.01270	18.9
71.04902	0.8
72.01633	0.6
72.99194	4.9
73.02831	2.0
75.00763	20.8
79.34352	0.4
81.03363	1.1
83.01274	1.9
83.04900	0.5
85.02347	1.0
85.02845	16.7
87.00770	5.8
88.98709	0.8
89.02338	4.0
93.03360	2.1
95.01286	2.4
95.04910	1.3
96.95925	1.4
97.02842	1.8
97.59395	0.4
98.00063	0.6
99.00777	7.6
99.04442	0.5
101.02325	2.6
108.02094	0.7
109.02865	1.2
111.00767	1.4
111.04459	0.7
113.02357	16.6
115.00315	2.4
117.01896	1.0
119.04925	2.1
120.05687	0.6
121.02861	1.4
121.06504	0.6
123.04453	2.3
123.08051	3.9
125.02350	0.9
129.01842	1.1
133.02873	1.4
134.03685	2.4
135.04430	1.6
136.05115	0.8
137.02385	3.0
137.05916	0.5
139.03937	1.4
139.94356	0.5
142.58369	0.6
145.02916	0.8
147.04477	1.9
149.06058	0.9
152.01091	1.0
152.07152	0.6
157.01366	1.1
159.04471	0.6
161.02380	2.0
161.04472	0.8
161.09686	0.7
163.03954	1.4
163.07513	0.7
165.05518	2.6
165.99655	1.2
167.03481	1.9
173.04532	2.4
173.13293	1.9
175.02417	2.3
175.03865	1.0
175.07422	0.6
177.01944	0.6
179.03445	1.2
181.04997	3.1
189.09123	0.6
191.05563	6.4
191.07153	2.7
193.05026	2.2
196.07407	2.1
201.03966	0.7
203.14455	2.7
205.08665	2.9
205.15950	0.8
209.11754	0.8
210.06889	3.6
211.09731	1.9
215.14410	4.5
225.09178	2.8
227.03503	0.6
231.13914	1.0
232.14639	2.6
233.15483	9.7
234.15897	0.6
255.02919	0.6
257.13089	0.6
281.03174	1.2
283.02621	1.6
284.03079	0.6
297.11301	0.6
299.02017	0.8
301.11703	0.6
329.17682	13.9
330.17975	2.9
331.19153	3.6
341.10379	1.1
347.18707	8.3
348.19180	0.9
361.20377	0.6
371.18756	1.9
389.19696	0.6
389.88199	0.6
437.18390	0.6
507.12927	2.2
551.25531	0.6
567.15021	3.3
568.15167	1.0
581.24176	0.7
613.25140	100.0
614.25452	15.5
657.28418	2.8
657.38348	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85024	1.0
57.03329	1.3
57.59448	0.9
58.79465	0.9
59.01267	10.1
69.03342	2.2
71.01274	4.2
71.57090	1.2
72.99205	1.8
73.02881	1.3
80.91838	1.2
81.03366	1.4
82.09766	1.0
83.01293	1.7
85.02862	3.9
87.00771	23.0
87.01276	2.0
89.02346	1.6
93.03371	3.0
96.95928	1.9
97.02873	2.8
97.80763	1.1
98.20197	1.0
99.64927	1.1
101.02366	2.1
109.02874	1.4
111.00819	3.6
113.02380	2.7
114.16406	1.0
117.03409	3.7
119.04923	1.9
121.02908	1.1
129.01863	5.6
132.02098	14.1
133.02878	4.7
134.03671	62.3
135.04333	4.0
137.02364	4.7
139.03949	2.0
145.06133	1.0
147.04414	1.7
148.05269	1.3
149.06021	12.1
150.03273	1.4
158.03680	40.2
159.04303	3.2
160.01610	60.4
161.02417	7.0
163.03902	1.3
165.01955	1.3
173.04718	1.0
173.06023	32.1
175.03963	76.1
176.04337	5.2
178.02675	13.2
179.03403	2.1
183.02971	2.3
191.05580	7.1
191.07149	4.2
193.05042	65.2
194.05412	3.8
201.01988	6.0
201.03990	30.9
202.02715	4.8
202.04399	1.3
203.03392	1.8
217.05057	28.0
218.05540	1.1
219.05173	9.4
235.06180	2.5
265.07254	1.3
271.02554	2.6
272.02890	3.1
274.03159	1.3
299.01974	6.0
300.02460	3.4
301.02472	4.9
301.85181	1.2
302.02811	3.2
303.02832	1.7
307.08279	3.1
315.08899	1.4
359.07764	2.7
377.08963	2.7
388.08316	1.1
395.09894	100.0
396.10269	11.5
419.09906	14.0
420.10312	3.0
437.11060	2.1
481.15497	1.2
553.14020	2.7
613.15692	17.5
614.16388	2.7
657.24316	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97065	2.2
59.01266	75.5
62.54794	2.2
64.25506	2.6
67.01774	3.1
68.99675	3.3
69.03336	7.6
70.90770	6.6
71.01285	15.8
72.99191	5.1
77.03811	2.7
78.95800	24.3
81.03346	4.6
81.35735	2.6
83.01289	5.8
83.04941	2.4
85.02853	7.9
87.00784	28.7
89.02340	4.5
93.03368	39.2
95.01286	24.4
95.04930	15.5
95.93911	2.7
96.96853	20.0
96.99227	5.1
97.02847	8.8
98.00037	3.2
99.00771	4.0
108.02107	4.8
109.02859	9.4
111.00803	11.0
111.04434	10.1
113.02311	3.5
115.00318	5.7
117.03406	4.8
119.04929	7.0
121.02866	7.0
123.04401	2.9
124.01541	2.3
129.01808	6.3
134.03674	81.0
135.04042	2.8
137.02385	43.1
139.00330	22.1
139.03935	21.6
139.11215	15.0
141.01862	5.8
145.02901	25.2
146.03722	16.0
147.04410	8.3
148.05244	2.8
149.06044	15.3
152.01091	5.6
153.01840	3.3
158.03682	15.9
159.04463	13.6
160.01590	8.5
161.02333	2.9
161.06030	3.4
163.03970	10.8
173.04558	5.7
173.06056	11.7
175.03983	12.7
178.02695	6.0
181.12315	7.6
183.02928	9.1
183.10265	18.8
185.06018	4.5
186.03143	4.4
187.03935	17.6
191.05592	27.2
193.05046	38.9
195.04485	5.1
196.32458	2.7
199.13297	2.6
201.04008	20.6
201.05507	2.5
207.04382	2.6
213.05540	15.1
217.05083	3.2
219.05136	14.9
219.29414	2.7
224.04698	3.3
225.11325	8.1
233.09540	11.5
240.04333	2.8
241.05107	64.6
241.65228	2.7
242.05275	5.8
243.05174	16.3
243.12407	18.5
244.05244	3.0
255.06665	8.5
256.07468	46.3
257.07706	4.2
261.05927	3.0
266.05945	8.3
267.06717	9.3
267.73499	2.4
269.08295	2.7
270.08972	5.8
271.02246	2.5
271.09842	100.0
272.10144	8.3
277.04941	3.1
281.03140	41.7
281.08084	12.4
282.03452	3.9
282.08902	8.4
283.09702	6.7
293.04626	5.0
294.05551	4.3
295.06314	18.0
297.11237	2.9
299.04288	4.3
308.07306	3.3
309.07764	8.0
310.08511	13.1
319.03589	3.3
323.09216	4.0
325.10886	16.0
326.11404	3.4
336.06131	3.2
341.05170	8.4
343.11972	14.9
351.08820	18.6
354.07446	4.5
367.11969	36.6
368.12289	5.0
369.09924	21.0
385.13187	3.9
387.10947	41.0
388.11069	3.4
393.09912	27.7
394.10110	5.2
411.10974	5.0
413.10983	7.5
531.46246	2.6
534.93213	2.5
553.13702	32.8
571.14728	23.5
572.14874	3.8
613.15729	51.5
614.16071	7.7
657.24225	75.8
658.24255	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	655.334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64727	0.4
54.93795	0.4
59.01265	100.0
60.01609	0.8
61.98741	0.6
69.24924	1.0
69.25336	4.4
71.01272	0.9
75.19542	0.5
78.95795	1.1
97.02821	0.6
102.98793	0.6
106.75800	0.5
117.00387	0.6
117.36906	0.5
141.01634	73.4
142.01961	1.7
152.99443	0.7
171.94606	0.5
173.03027	0.8
191.05586	0.6
201.02556	0.6
257.05081	0.6
275.06339	3.8
277.21762	2.1
317.07440	1.1
335.08466	0.8
350.57193	0.5
359.21829	1.6
391.19974	2.1
480.86676	0.5
535.27734	5.0
536.28021	0.8
536.68823	0.5
595.29736	1.7
596.30518	0.6
620.29126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.6
59.01265	1.4
61.41375	0.3
61.98716	0.6
62.89553	0.3
67.01777	0.7
71.01281	1.3
71.58388	0.4
71.58790	0.3
78.15524	0.3
84.76829	0.3
85.02854	1.3
87.00769	1.2
87.30023	0.3
93.03366	3.4
95.01296	0.7
96.95929	1.2
97.02852	0.7
98.95525	0.5
99.00820	0.4
99.04431	0.8
101.02378	0.5
107.04934	1.0
109.02834	0.4
111.04454	1.0
113.05985	0.4
115.91985	0.4
117.03381	0.4
121.02857	0.3
133.02887	2.6
134.03682	3.8
135.04448	99.9
136.04765	4.2
137.02441	0.4
137.06056	0.5
142.60234	0.4
142.73705	0.3
148.05223	3.5
149.06046	3.2
150.06805	28.8
151.07097	1.5
161.02408	3.1
161.04420	0.5
161.09613	0.7
162.06773	0.6
163.03999	0.4
163.07599	8.9
164.08357	3.0
173.04503	2.9
176.08476	1.7
177.01915	1.2
177.09167	0.5
178.09940	2.5
179.03461	100.0
179.10704	6.8
179.37244	0.3
180.03825	5.3
180.10985	0.4
189.12866	0.3
191.05573	3.3
193.08722	0.6
207.10255	0.6
209.11832	0.6
211.13507	0.4
217.15930	0.6
259.20511	0.4
265.25510	0.3
267.23343	1.3
285.18625	0.3
299.02087	0.5
303.19540	0.7
311.26047	0.7
313.18195	1.0
313.23911	4.1
323.07803	2.9
329.17673	1.0
341.08847	24.3
342.09305	1.9
347.18701	9.1
348.18921	1.3
351.07251	0.5
371.18356	0.3
405.64078	0.3
414.31592	0.5
429.33658	0.3
430.34457	0.5
431.35693	0.3
432.32480	5.7
433.32770	0.8
446.34006	1.1
447.34912	7.9
448.34918	1.5
474.33551	2.3
475.34512	2.6
492.34848	2.8
493.35452	21.1
494.35870	3.7
595.25354	0.5
655.28003	16.4
655.40668	60.9
656.28162	4.3
656.41003	13.6
669.63507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55616	0.4
59.01268	100.0
60.01606	1.1
61.98714	0.6
65.00212	0.4
65.70341	0.4
71.01266	0.9
73.70719	0.4
78.95795	1.1
89.68021	0.5
93.03387	0.8
96.95892	0.3
97.02876	0.5
97.41527	0.4
107.01313	0.6
124.01671	0.4
125.02380	0.4
141.01637	73.6
142.02003	1.2
150.99309	0.4
151.00305	2.0
152.01096	0.8
152.99605	0.7
164.55592	0.4
169.01405	0.5
169.18898	0.4
173.04486	0.6
178.99844	1.9
179.03441	0.5
191.05600	1.8
198.82124	0.4
209.11890	1.5
211.13460	0.5
222.77715	0.4
245.13745	0.4
277.21872	2.9
311.22571	0.5
335.62595	0.4
339.00177	0.7
359.22141	1.4
391.20172	0.5
475.13632	0.7
655.20251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2992
Annotation	Dicliripariside A
Peak:m/z	Relative Intensity
50.46396	0.4
55.01773	0.6
57.03333	1.1
59.01265	22.2
60.01606	0.7
61.98717	1.7
68.87141	0.5
68.99699	0.6
69.03347	1.4
71.01284	6.9
72.99197	26.4
73.02835	1.8
83.01279	1.1
85.02841	5.5
87.00762	1.2
89.02348	1.8
93.03364	7.7
95.01304	0.5
95.04939	0.5
96.95914	2.0
97.02848	1.3
98.19781	1.6
99.00772	3.4
101.02349	2.2
107.04905	0.4
109.02863	0.6
111.00774	0.6
113.02348	7.7
114.02722	1.0
115.39063	0.5
117.03379	0.8
119.04945	21.5
120.05282	1.7
121.06515	9.2
123.08068	0.5
125.02422	0.8
127.03936	0.9
131.03418	1.0
134.03642	0.7
135.04463	1.0
137.02379	0.7
145.02892	3.3
161.02417	0.5
161.04488	0.8
161.05919	0.7
163.03963	16.9
164.04298	1.4
165.05533	100.0
166.05865	4.4
173.04587	0.8
175.03931	0.7
183.13884	4.4
189.05496	0.8
191.05614	2.8
195.13875	2.9
196.14273	0.5
213.14964	14.8
214.15309	0.9
219.56795	0.6
279.08804	1.5
283.02625	0.9
309.09793	0.8
327.11005	4.5
328.11465	0.6
329.17587	1.4
347.18991	1.1
391.05603	0.9
437.18594	1.5
439.32275	1.2
441.14114	34.1
442.14496	3.9
459.15192	28.3
459.43933	0.5
460.15405	2.3
493.31281	0.6
527.62677	0.5
567.19037	0.8
655.29718	37.0
656.29877	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	655.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	16.2
60.01596	0.2
61.98722	1.6
64.00027	0.2
67.73174	0.2
69.03344	2.5
71.01279	2.5
71.08671	0.6
72.98326	0.3
72.99190	0.5
73.02834	0.3
78.74310	0.2
81.03359	0.3
83.01279	0.5
84.08637	0.3
85.02859	1.7
87.00770	0.3
89.02348	1.8
89.03867	0.4
93.03348	0.6
95.01250	0.3
96.95934	1.1
97.02847	6.4
99.00825	0.3
101.02368	1.2
105.03372	0.7
107.04945	0.7
108.02026	0.3
109.02851	0.5
113.02357	1.3
115.01704	0.2
115.03942	0.9
117.03391	1.5
119.03416	0.8
121.02921	0.3
121.06514	1.0
123.04427	0.3
132.02103	2.4
133.02879	38.2
134.03336	1.2
135.04451	16.1
136.04803	0.5
137.02365	1.2
141.11726	0.2
141.69177	0.3
149.05991	1.2
150.06810	1.6
160.01617	0.3
161.02390	100.0
162.02728	4.9
163.03880	0.3
163.07608	0.3
163.11301	0.3
173.04530	0.4
177.05476	1.5
178.02687	0.3
179.03464	11.4
180.03842	0.6
191.05655	1.3
191.07109	0.5
193.05080	0.4
205.08755	0.3
221.04619	2.2
221.06667	0.4
251.05710	0.8
256.73703	0.3
271.02502	0.6
281.06702	1.8
289.21735	1.3
299.02063	1.6
300.02451	0.5
301.02707	0.5
335.22391	1.6
341.08841	0.4
353.08780	0.7
433.26041	18.6
434.26126	1.8
434.31201	0.3
447.28122	0.3
449.33026	0.5
455.12347	0.4
457.25903	1.1
475.27304	0.6
600.87256	0.3
619.20770	1.4
637.27405	0.3
655.27704	76.1
655.36713	3.3
656.28058	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	655.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.0
60.29892	0.2
61.98717	0.7
66.91242	0.2
67.39605	0.2
70.00166	0.8
71.01266	0.5
75.00768	1.9
85.02849	0.3
86.29239	0.2
89.02337	0.3
91.05449	0.2
92.67952	0.2
93.03373	0.2
94.60712	0.2
97.02847	0.5
99.04407	1.6
101.02354	0.4
107.04935	1.1
117.03365	0.4
119.03406	0.3
127.07623	0.4
133.02896	0.5
134.03673	3.0
135.04449	86.8
136.04779	3.7
137.02344	0.3
147.11783	0.2
153.93282	0.1
161.02379	0.5
161.41826	0.2
178.02768	0.2
179.03461	100.0
180.03796	4.7
182.72423	0.2
189.12811	0.4
191.05499	0.3
203.14452	0.2
209.11749	0.3
211.62418	0.2
271.02670	0.2
313.18216	1.0
323.07782	0.4
331.19147	0.5
341.08838	11.4
342.09235	1.2
386.15042	0.2
389.27332	0.3
415.24835	0.2
433.26059	2.5
434.26221	0.3
457.25659	0.2
509.62277	0.2
516.56213	0.2
562.49115	0.2
655.27704	18.6
656.28058	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	655.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06968	0.3
52.18299	0.3
55.56522	0.2
57.08605	0.3
57.19400	0.2
58.08258	0.3
59.01265	13.6
61.98720	1.6
69.03344	2.1
70.32600	0.6
70.32989	0.7
71.01263	2.5
72.99230	0.3
75.26716	0.3
77.33900	0.3
77.58594	0.2
81.57232	0.3
83.01295	0.5
83.15591	0.2
85.02844	1.0
89.02338	1.8
93.03379	0.5
96.36855	0.3
96.95930	0.6
97.02847	5.5
101.02357	1.6
107.04919	0.3
109.02851	0.4
113.02379	1.3
115.03905	0.8
117.03392	1.0
119.03412	0.4
121.02922	0.3
121.06503	1.1
123.04436	0.3
132.02097	1.1
133.02881	28.7
134.03267	1.2
135.04443	15.2
136.04813	0.7
136.95935	0.3
137.02388	0.8
142.84631	0.3
149.05981	1.2
150.06821	1.3
161.02390	100.0
162.02711	4.2
163.07607	0.3
169.46825	0.3
177.05527	1.7
178.02695	0.4
179.03459	12.3
179.10814	0.4
180.03781	0.7
191.05569	1.0
191.07138	0.4
203.03404	0.4
221.04567	2.5
223.86690	0.3
251.05678	0.8
271.02527	0.7
281.06653	2.2
289.21841	1.2
299.02072	1.6
300.02454	0.9
301.02847	0.4
313.18365	0.4
335.22208	1.3
341.08438	0.5
353.08960	0.6
359.35550	0.3
433.20135	0.6
433.26035	13.4
434.26236	1.3
434.31403	0.4
449.32816	0.7
457.25839	0.5
619.20233	1.0
637.27264	0.4
655.27698	72.8
656.28040	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	655.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71454	0.2
58.93388	0.2
59.01262	0.6
61.98703	0.2
67.01779	0.6
69.03318	0.2
69.60295	1.6
71.01276	0.3
74.68600	0.2
83.38132	0.2
85.02832	0.3
87.00775	0.9
91.05421	0.3
93.03362	4.4
97.02853	0.6
99.04436	0.2
101.98756	0.2
107.04927	1.1
109.77842	0.2
111.04412	0.5
111.21351	0.2
117.03521	0.2
124.68059	0.2
126.95471	0.2
129.22554	0.2
133.02908	0.7
134.03661	3.9
135.04448	100.0
136.04788	4.1
137.02408	0.3
148.05217	1.1
149.06065	0.4
150.06796	2.4
152.17479	0.2
161.02417	0.6
163.07616	1.4
173.04524	2.1
177.01929	0.8
177.15150	0.2
178.02609	0.4
179.03461	96.1
179.10756	0.8
180.03780	5.1
189.12839	0.3
191.05576	1.5
205.08626	0.4
209.11743	0.4
246.05836	0.2
248.23575	0.2
303.81802	0.2
308.08990	0.4
313.18149	0.8
323.07800	1.2
329.17789	0.4
331.19266	0.3
341.08841	25.0
342.09137	1.7
347.18759	3.1
348.19406	0.2
352.07950	0.4
429.34225	0.2
432.32187	0.4
447.35013	0.6
463.25177	0.3
475.34097	0.2
486.54541	0.2
493.35349	1.8
579.22119	0.3
622.35901	0.2
637.31989	0.3
655.28119	18.5
655.40839	4.7
656.28461	4.0
656.41235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39170	3.7
51.15974	3.9
59.01263	34.7
59.31859	4.1
61.98711	20.5
69.90205	22.0
71.01277	28.2
72.99198	4.3
73.02836	4.3
74.91668	3.3
78.87019	4.7
79.67861	3.9
79.83311	4.3
81.03328	5.5
81.27599	4.4
85.02843	16.7
87.00781	4.4
89.02328	20.4
93.03352	9.6
95.01262	5.2
96.95927	8.9
97.02845	12.5
99.04403	6.9
101.02350	8.5
113.02380	30.6
115.78809	4.0
119.04932	13.7
125.02338	12.6
125.42579	3.9
127.07546	3.8
128.42537	3.7
135.04366	5.4
156.22581	3.6
161.04474	8.7
163.03923	16.3
173.04593	4.5
177.01848	11.2
179.05563	6.9
189.12796	23.8
191.05547	19.3
191.07021	7.5
205.08629	22.8
207.10216	4.2
209.11803	37.1
237.07610	7.3
249.09776	4.5
313.18179	100.0
314.18430	12.5
331.19208	77.8
332.19580	8.7
433.25836	10.1
529.22217	6.7
655.24652	37.4
656.25739	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	655.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.5
59.01267	6.8
60.01600	0.3
60.98890	0.5
60.99194	7.1
64.57880	0.3
66.47755	0.3
69.69231	1.9
71.01266	3.2
71.04902	0.8
72.99201	1.9
73.02829	0.6
75.00768	1.8
83.01281	0.5
85.02850	2.6
87.00778	1.0
88.98700	48.1
89.02333	1.2
89.99068	0.6
93.03361	0.7
95.01300	0.3
97.02845	2.7
99.00787	1.1
101.02359	1.7
103.12813	0.3
113.02364	2.7
119.04945	100.0
120.05279	5.9
121.05540	0.5
123.08082	4.8
125.02374	0.4
127.07570	0.7
133.04970	0.7
161.09633	0.6
163.03958	74.0
164.04294	5.0
165.04451	0.4
173.09714	0.3
179.05582	1.1
189.09148	0.4
189.12860	2.2
191.07106	4.6
192.07434	0.4
200.73145	0.3
205.08693	5.4
206.09114	0.4
209.11775	0.5
219.81247	0.3
221.08241	0.6
253.72083	0.3
269.18896	0.6
283.17273	0.4
313.18185	8.6
314.18457	0.8
317.21286	0.7
325.09250	1.5
329.17651	27.8
330.17953	3.0
331.19214	15.0
332.19531	1.5
347.18738	3.1
396.16980	0.3
440.13394	0.3
441.13174	0.8
459.13956	0.6
461.25366	1.9
479.26767	0.9
521.27655	1.2
655.29303	13.0
656.29498	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02998	0.8
50.21778	0.8
56.96131	1.1
57.03326	2.4
59.01266	29.1
67.01763	1.1
71.00909	1.6
71.01270	22.6
72.99209	5.2
73.02834	6.7
75.00750	1.1
78.95789	1.9
81.03313	1.3
83.01293	2.2
85.02846	13.5
87.00747	4.3
89.02340	17.6
93.03354	9.8
95.01255	3.3
96.95924	5.9
97.02810	3.5
99.00758	3.6
101.02350	15.0
101.48145	0.9
107.23651	1.0
107.84367	1.0
108.02079	49.6
109.02870	40.1
110.03164	1.9
111.00709	1.3
111.04352	1.2
113.02352	16.0
114.81561	1.0
116.77740	1.0
116.92744	1.6
117.03309	1.3
119.03445	6.8
119.04965	7.7
121.02836	2.9
123.04408	1.3
125.02370	6.1
131.03371	2.5
132.93420	1.0
133.02881	1.3
134.03606	2.6
135.04407	4.5
137.02386	5.0
139.00244	1.1
143.03452	1.9
145.02872	2.2
149.04417	1.0
151.00235	1.7
151.03926	2.0
152.01097	88.3
153.01884	51.3
153.05426	0.9
154.02147	1.5
155.03419	1.4
160.01587	1.3
161.02332	3.9
161.04482	5.7
163.02937	0.8
163.03960	9.0
163.11230	1.9
167.03392	1.4
173.04478	6.2
174.42920	0.9
175.03853	2.1
177.01834	2.0
179.03384	3.1
179.05554	4.9
181.12338	9.8
190.92351	1.0
191.05582	14.9
192.05865	1.2
193.04982	3.4
195.08096	1.3
199.03810	1.4
209.04437	1.1
221.06622	3.9
225.11240	3.1
255.03014	2.6
263.07709	1.9
271.02402	3.5
271.87125	1.0
272.02838	1.9
273.03122	1.4
283.02475	3.0
299.02060	5.5
300.02335	6.5
301.02802	6.2
315.07227	1.9
323.09912	5.5
327.09000	1.3
331.19025	1.4
337.09314	1.1
429.10458	15.9
430.11026	2.0
447.11203	1.8
449.14456	1.9
457.13831	2.1
493.24759	1.5
611.23035	3.4
637.22308	1.1
654.37634	1.7
655.22260	100.0
656.22888	19.4
672.63599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	0.9
57.03344	0.7
58.43671	0.4
59.01272	3.3
61.98724	0.9
69.03363	0.8
71.01269	4.5
71.18237	1.0
72.99212	1.9
73.02841	1.9
75.00774	0.7
75.15324	0.4
78.95770	0.7
85.02840	3.2
87.00780	1.7
89.02367	1.3
93.03356	3.8
94.03703	0.6
95.01285	0.9
95.04927	0.7
96.95933	1.6
97.02850	1.1
99.00762	1.1
101.02352	2.0
108.02082	53.2
109.02899	10.1
109.71536	0.5
111.04448	0.7
113.02357	1.9
116.92843	0.7
119.04945	1.6
121.02882	1.2
123.00839	0.7
123.04417	0.8
125.02391	1.2
133.02864	0.9
134.03662	1.4
135.04453	2.0
136.01547	0.6
137.02390	1.5
143.03310	0.4
145.02948	1.0
149.04507	0.5
151.03923	0.8
152.01097	100.0
153.01768	6.5
155.03410	0.5
161.02367	1.1
161.04567	0.7
163.03966	4.6
163.11206	1.7
173.04553	2.6
173.05899	0.4
175.03954	1.4
177.01877	1.1
179.03445	1.8
181.12306	6.3
191.05588	7.1
193.04974	1.0
205.08640	0.7
207.02901	0.9
225.11327	6.6
255.03139	1.1
283.02512	2.1
283.60101	0.5
284.03311	0.7
285.04230	0.6
288.35919	0.5
301.03506	1.4
315.07391	2.6
331.19272	1.0
331.89972	0.5
349.20309	0.7
429.05008	0.9
429.10474	11.5
430.11136	0.7
447.11472	1.4
468.61267	0.5
611.23761	3.7
637.21497	2.0
655.22510	99.8
656.22852	18.4
661.90015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27256	0.5
57.03335	1.1
59.01266	19.5
67.01777	0.6
69.03357	1.0
69.65614	3.0
71.01270	5.7
72.99195	1.9
73.02840	1.6
75.00767	0.9
79.01805	0.6
81.03353	0.7
83.01283	0.9
83.51443	0.5
85.02845	5.5
87.00785	1.7
89.02353	2.3
93.03342	3.5
95.01300	1.7
96.95930	1.6
97.02889	0.5
98.19668	0.6
99.00793	1.5
101.02360	2.8
104.09364	0.5
107.01266	0.7
108.02083	48.1
109.02903	12.2
111.04487	0.6
113.02356	3.0
119.04973	2.5
121.02885	1.6
123.00786	1.0
123.04485	0.9
125.02370	1.1
133.02859	1.4
134.03670	1.6
135.00827	0.6
135.04430	1.9
135.13785	0.6
137.02391	1.4
151.00304	2.1
151.04002	1.5
152.01099	100.0
153.01826	6.3
155.03525	0.6
161.02312	0.8
161.04475	1.3
163.00342	2.0
163.03973	6.1
169.01387	0.5
173.04498	1.8
175.03918	1.2
177.01892	1.9
177.05559	0.5
178.99881	0.7
179.03452	1.9
190.99829	1.5
191.03915	1.0
191.05585	9.3
193.05054	0.9
199.04007	1.0
206.99356	0.8
207.02927	0.9
208.00136	0.7
225.11348	3.2
271.02524	5.6
272.80750	0.5
297.05963	0.7
299.02023	10.6
300.02383	1.2
315.07401	1.3
317.03116	10.9
318.03497	1.0
319.08044	0.5
335.17322	1.0
337.09277	0.6
373.12985	0.7
429.10449	17.4
430.10593	1.1
433.15195	3.1
447.11536	10.2
448.11710	1.2
489.12106	0.7
595.42517	0.8
655.22595	89.1
656.22858	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	655.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07220	0.6
53.16420	0.7
55.53604	0.6
57.03326	1.7
59.01265	1.6
59.60899	0.7
63.02274	2.1
65.00198	3.4
69.31445	2.6
69.31868	4.3
71.01255	1.0
73.85885	0.6
83.01276	3.6
85.02836	3.1
86.02308	0.6
87.00772	1.1
93.03366	2.1
95.01289	3.3
96.95883	1.3
107.01291	8.6
108.02059	1.9
109.02858	53.6
110.03195	1.8
113.02364	0.8
119.04939	1.1
123.00770	1.4
124.01578	2.2
125.02366	5.9
127.03964	0.8
127.51269	0.6
130.65515	0.6
133.02855	1.0
135.00806	3.9
137.02365	1.8
145.02902	0.7
151.00305	28.8
151.01518	1.7
152.01085	10.9
153.01889	18.3
159.04404	1.0
161.02415	1.2
163.00316	42.5
163.03954	1.1
164.00844	2.2
169.01407	3.4
174.03140	1.0
175.03940	1.6
178.99820	23.6
181.01379	2.6
183.04459	2.1
183.12561	0.6
187.03957	1.8
190.99826	35.2
191.05577	54.9
192.00108	1.0
192.05948	1.8
199.04060	1.1
203.03497	2.2
206.99336	25.9
207.02698	1.1
208.00085	10.4
211.03961	5.0
212.04514	0.8
213.01840	1.1
217.05060	1.6
227.03517	12.2
229.01546	0.9
231.02914	3.5
245.04605	3.0
255.03023	12.9
256.03461	1.0
258.01785	1.1
271.02539	3.1
273.04114	3.5
299.02017	12.9
300.02478	1.1
317.03076	100.0
318.03403	7.3
331.35208	0.7
337.09381	15.0
524.02441	0.8
672.10718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63034	0.3
57.74564	0.3
59.01266	100.0
60.01592	0.7
61.98735	0.4
62.98459	0.3
68.50170	0.4
71.01265	0.9
71.60245	0.4
78.95808	1.6
85.02860	0.5
91.24766	0.4
99.04435	0.8
101.02336	0.7
113.02403	0.4
152.99588	1.0
157.96214	0.3
161.04489	0.9
209.11903	0.4
255.23451	1.1
277.21786	37.7
278.22089	2.9
279.23315	3.8
312.10437	0.4
333.19379	1.5
391.23230	0.4
415.25156	1.6
541.83496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04567	0.4
55.01767	1.0
57.03336	0.6
57.64950	0.5
61.98720	0.5
69.03337	2.9
69.95959	0.4
71.04908	0.4
71.57942	1.0
78.95801	0.7
83.04923	2.8
84.98401	0.4
91.59914	0.4
97.06475	0.7
97.22572	0.4
99.04425	17.3
100.04785	0.7
116.40235	0.5
120.45421	0.4
123.08064	1.0
125.09682	0.5
133.55136	0.5
137.09637	0.6
147.11690	0.6
149.09639	0.4
191.05522	0.9
192.42636	0.4
235.17067	31.7
236.17400	2.1
273.22278	1.4
317.21323	7.5
335.22330	2.8
417.26578	100.0
418.26892	15.3
555.28699	0.5
633.81049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85982	0.2
55.01541	0.2
55.01768	1.4
57.03338	1.2
58.00481	1.7
59.01270	37.8
60.01617	0.5
61.98722	0.4
63.51600	0.2
68.99715	0.3
69.03336	2.1
71.01276	33.8
71.61672	0.3
72.01604	0.7
72.99206	2.8
73.02840	5.9
75.00771	1.2
78.95784	0.4
81.03352	1.5
83.01279	4.8
83.04910	0.3
85.02845	7.6
85.03354	0.4
85.99995	0.4
87.00779	8.3
89.02342	29.3
90.02642	0.3
91.03913	0.9
93.03385	0.6
95.01294	2.5
95.04922	0.2
97.02863	5.5
99.00782	2.4
99.04424	0.4
101.02353	28.4
102.02685	0.3
103.00320	0.3
103.03956	0.4
103.89597	0.2
109.02879	0.8
111.00784	0.6
111.04417	1.2
112.01550	0.5
113.02363	14.0
114.02668	0.3
115.03959	0.9
119.03425	9.3
119.04249	0.5
120.87523	0.2
121.02900	0.6
123.00795	0.5
123.04464	0.3
124.01616	0.4
125.02377	13.7
127.03943	0.5
131.03442	1.6
133.05037	1.4
137.02405	0.5
139.03944	1.3
141.01906	0.4
141.05556	0.3
143.03442	5.7
147.04103	0.3
149.04515	1.0
161.04510	6.1
167.03430	0.7
169.05000	0.7
171.02927	0.4
177.72194	0.3
179.05586	6.4
179.07187	0.4
181.05009	0.3
185.04610	0.4
199.06158	0.5
203.05624	0.4
217.07140	1.2
219.05087	0.5
221.06667	2.2
235.08260	14.6
236.08546	0.6
237.22308	0.4
245.06689	0.8
253.09320	3.8
255.23347	100.0
256.23688	8.0
259.08322	0.3
263.07727	1.7
264.39844	0.2
269.24942	0.4
277.09378	0.8
287.07779	3.6
305.08844	4.7
323.09836	1.8
361.11694	0.5
379.12408	1.1
388.73120	0.3
397.13614	92.9
398.13934	8.7
415.14676	33.9
416.14902	2.4
447.18719	0.3
511.10693	0.3
579.25989	0.6
653.26410	1.1
653.38171	0.8
654.27533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.3
56.52356	0.2
56.99657	0.1
57.03336	1.1
58.00483	2.2
59.01266	37.0
60.01601	0.3
60.76437	0.2
65.70399	0.2
67.01809	0.2
68.71495	0.2
68.99711	0.5
69.03344	2.3
71.01271	35.4
71.04902	0.2
71.58112	0.2
72.01606	0.6
72.99197	3.0
73.02837	5.8
74.03163	0.2
75.00761	0.8
78.95789	0.2
81.03354	1.5
83.01273	4.1
83.04914	0.4
84.02097	0.2
85.02842	7.6
86.00002	0.3
87.00772	9.7
87.04441	0.3
88.01124	0.2
89.02338	31.2
90.02686	0.5
91.03915	0.7
93.03371	0.5
95.01285	2.7
95.04923	0.2
97.02853	6.2
99.00781	2.4
99.04410	0.6
101.02349	30.1
102.02705	0.8
103.00262	0.2
103.03912	0.4
108.02101	0.2
109.02846	0.7
111.00797	0.6
111.04470	1.3
111.29970	0.2
112.01621	0.3
113.02356	15.2
114.02699	0.4
115.03932	0.8
119.03419	8.9
121.02879	0.8
123.00801	0.3
123.04430	0.4
124.01602	0.3
125.02370	13.5
126.02707	0.3
127.03910	0.3
129.01865	0.3
131.03442	1.5
133.04999	1.1
137.02379	0.5
139.03981	1.0
141.01857	0.7
141.05486	0.2
142.02667	0.2
143.03432	5.6
149.02405	0.2
149.04466	1.1
151.03923	0.2
157.04984	0.2
159.02921	0.2
161.04512	6.2
162.04816	0.2
163.03946	0.2
167.03464	1.0
169.05022	0.6
171.02995	0.4
173.04494	0.3
179.05583	6.5
181.05052	0.2
185.04584	0.5
191.05499	0.4
199.06081	0.6
203.05617	0.5
217.07137	1.0
218.07635	0.2
219.05072	0.5
221.06670	2.5
222.06978	0.2
235.08257	14.8
236.08533	0.7
237.22226	0.3
237.62321	0.2
245.06706	0.6
253.09351	3.2
254.09865	0.2
255.23338	100.0
256.23672	8.6
259.08368	0.3
263.07745	1.4
269.24850	0.7
277.09366	1.0
287.07782	3.6
305.08807	4.2
306.09097	0.2
323.09894	1.9
361.11459	0.4
379.12479	1.0
397.13593	94.0
398.13916	8.0
415.14664	33.0
416.14957	3.3
420.35718	0.2
545.22174	0.3
621.23901	0.2
624.26074	0.4
653.26379	2.9
653.37769	0.9
654.26678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73687	0.6
58.00471	0.7
59.01267	100.0
60.01589	0.8
61.98722	1.4
71.01276	7.2
72.99201	0.9
73.02851	1.5
75.00788	0.7
83.01280	4.5
83.04963	0.7
85.02396	0.6
85.02876	2.0
87.00799	1.0
87.03898	0.6
89.02333	5.0
92.46941	0.6
93.03358	0.8
97.02856	4.6
97.06497	0.6
98.19858	1.6
99.00784	5.5
99.04424	39.6
100.04760	1.1
101.02355	8.1
102.97316	0.6
113.02366	3.0
117.12722	0.7
119.03403	5.3
121.02927	0.6
133.17999	0.6
134.03735	0.8
135.04497	1.2
137.02390	1.7
139.04024	0.6
150.06834	0.8
161.02429	1.3
165.09303	0.8
177.01921	3.1
179.05612	0.9
180.25006	0.6
191.05630	1.1
191.10680	0.7
195.73404	0.7
208.96136	0.7
209.11913	1.1
213.15024	0.6
215.07104	0.8
225.11462	0.6
233.15421	0.7
303.19751	0.9
313.18378	1.8
315.19968	0.9
327.19836	0.9
331.19220	7.8
331.22458	0.8
332.19385	0.8
333.20966	1.6
349.20428	1.8
373.20361	2.0
391.21353	19.6
391.26187	1.1
392.21786	2.2
412.09464	0.8
413.24133	0.8
417.23077	0.8
431.24484	1.4
433.22546	5.5
434.22760	0.9
471.27655	0.9
473.25540	3.8
493.24814	2.7
511.25601	30.8
512.26147	3.4
515.26636	1.7
556.21997	0.8
593.29797	3.4
594.29681	0.8
652.76880	1.0
653.30988	1.7
653.41119	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52821	0.2
51.73117	0.2
55.01771	0.9
57.03334	1.0
59.01265	100.0
60.01609	0.9
61.98703	0.4
67.01786	0.8
69.03342	10.3
71.01270	18.8
71.04919	0.9
71.37657	0.6
72.01629	0.3
72.99196	1.5
73.02835	4.7
77.96779	0.2
81.03333	0.3
83.01245	1.5
83.04910	0.3
85.02841	7.5
87.00786	0.8
88.98656	0.2
89.02343	3.5
93.03362	0.6
95.01283	1.0
97.02851	78.7
98.03186	1.9
99.00766	2.3
101.02351	8.2
102.02697	0.3
108.02075	0.3
113.02355	8.5
115.03927	14.3
116.04294	0.3
119.03448	0.9
119.04935	6.5
123.07993	0.4
125.02372	0.4
129.01929	0.3
129.96284	0.2
131.03380	0.3
134.03709	0.3
135.04422	0.3
137.02382	0.3
143.03429	1.5
145.02911	0.5
152.01060	0.5
159.02936	2.4
160.23480	0.3
161.04503	15.7
162.04854	0.4
163.03970	4.0
167.03447	0.3
173.04430	0.4
179.05522	1.0
184.80779	0.2
191.05527	1.2
193.05148	0.3
205.03403	0.4
219.61182	0.2
259.08279	9.3
260.08649	0.7
285.03812	0.4
315.19434	0.3
315.80380	0.3
329.17371	0.5
333.20865	2.0
346.15982	0.3
387.25320	1.3
431.24469	21.6
432.24713	3.0
439.12271	0.7
457.13593	1.7
593.29419	1.1
636.03381	0.3
653.27808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56545	0.2
59.01278	0.3
62.96295	0.4
67.13214	0.2
71.57706	0.3
75.04787	0.2
78.95794	100.0
92.62206	0.2
96.96870	4.1
109.06510	0.3
114.05520	0.3
115.87897	0.2
125.09639	0.2
134.98494	0.3
149.00037	4.0
150.05431	0.3
152.99532	10.2
171.00543	0.3
171.10228	2.9
179.01074	0.4
199.09726	1.1
201.11255	0.6
205.15942	1.5
207.10156	0.7
225.11363	1.1
255.23325	12.0
256.23636	1.1
285.12671	3.7
307.09521	0.4
335.08978	0.4
355.16791	2.4
361.10492	0.6
379.11581	0.8
385.17828	0.7
391.22614	3.4
397.12741	0.3
409.23654	2.1
417.12411	0.4
447.13501	5.0
448.13290	0.5
563.33643	2.2
591.32843	0.5
617.34705	0.8
635.35815	1.0
653.30066	51.9
654.30457	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	653.283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.0
57.62846	0.3
57.80894	0.3
59.01264	33.9
59.62758	0.3
60.01587	0.5
61.98720	0.5
62.47429	0.3
69.03342	0.6
71.01267	16.7
71.57288	0.6
72.99197	19.6
73.02833	2.4
78.01605	0.3
78.95818	1.0
81.53046	0.3
82.95346	0.3
83.01273	1.0
84.02053	0.4
85.02836	3.3
87.00774	1.3
87.04414	0.6
88.98697	0.3
89.02330	1.7
91.36540	0.3
93.03358	1.1
95.01309	0.7
97.02843	1.4
99.00771	1.6
101.02338	3.3
109.02852	0.6
111.04433	0.4
113.02350	5.6
115.03919	1.4
117.03374	1.3
118.18982	0.3
119.04942	100.0
120.05271	3.2
121.02859	2.3
123.08045	0.5
125.02364	0.4
131.03392	0.6
132.05711	0.5
133.02881	0.9
133.05000	3.4
135.04480	0.7
137.02388	0.5
143.03447	0.4
145.02899	3.9
145.10216	0.3
159.02998	0.4
159.06595	0.9
161.02419	1.1
161.04489	2.4
161.05888	0.7
162.03146	1.0
163.03952	58.6
164.04259	2.5
173.04524	0.6
175.07545	0.4
179.03481	0.8
183.13896	1.8
187.06123	1.9
189.09105	0.7
191.05560	1.4
195.13875	1.2
205.05124	0.4
213.14938	6.8
214.15271	0.4
219.06694	0.6
231.08673	1.7
249.09811	4.1
259.08337	0.7
277.07251	1.6
291.10938	6.8
292.11099	0.5
299.01999	1.0
307.08282	0.9
315.19629	0.7
325.09222	0.9
333.20782	10.5
334.21155	0.8
351.22092	0.8
431.24619	0.4
439.12552	16.7
440.12753	1.1
446.17831	0.3
457.13586	16.7
458.13980	1.4
653.28271	32.3
654.28717	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	653.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72909	0.1
51.97672	0.1
55.01768	0.1
59.01265	0.4
60.99192	0.1
61.37962	0.1
61.98721	0.1
69.03346	0.2
69.44623	0.6
71.01276	0.1
73.83148	0.1
75.00767	0.1
77.03878	0.2
81.03353	0.4
82.28274	0.1
89.03865	2.2
93.03384	0.2
94.50330	0.1
95.04925	0.2
96.95932	0.2
97.02840	0.2
101.02343	0.1
105.03371	3.5
106.03729	0.1
109.06529	0.1
121.02854	0.2
133.02887	8.6
134.02274	0.1
134.03160	0.4
149.02380	0.9
153.00627	0.1
163.11249	0.1
176.01117	0.2
177.01898	100.0
178.02235	4.7
181.12265	0.1
191.05569	0.1
207.10292	0.6
209.11819	0.7
225.11301	0.3
235.08315	0.1
289.86911	0.1
313.18301	0.3
331.19101	0.2
339.07297	0.7
392.75034	0.1
399.22003	0.1
445.20520	0.1
461.19995	0.1
503.77280	0.1
515.14343	0.1
635.31036	0.2
653.25916	0.5
653.34021	0.1
654.25830	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	653.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02859	0.3
59.01268	0.8
71.01283	0.3
78.95798	39.9
87.00780	0.3
88.61165	0.2
89.02325	0.3
91.59813	0.2
93.03370	0.6
93.60034	0.2
96.96870	32.8
101.02379	0.3
113.02371	0.3
119.04937	0.4
164.07068	0.4
165.07558	0.3
191.05640	1.5
196.16563	0.2
197.04474	0.2
206.08192	0.6
207.08498	0.4
249.08952	0.3
251.10585	100.0
252.10912	5.6
267.10364	0.3
409.45859	0.3
639.44110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97893	0.3
59.01265	3.1
61.98753	0.9
66.58362	0.3
69.03361	0.4
71.01311	1.5
78.27801	0.3
81.03400	1.0
83.04972	0.4
89.02380	1.1
89.03851	1.9
93.03409	0.6
97.02921	1.0
99.04459	0.4
101.02409	0.9
105.03391	3.6
107.04985	0.4
109.06513	2.4
110.49447	0.3
113.02381	0.6
121.02900	0.4
133.02888	8.1
134.03764	0.4
135.04448	6.2
135.08052	0.5
137.02399	0.9
149.02420	0.8
152.90356	0.4
161.02480	0.4
161.04538	0.6
163.11229	1.4
176.01184	1.1
177.01903	100.0
178.02238	4.8
179.03476	5.5
179.05267	0.4
180.03802	0.4
181.12289	0.9
191.05530	0.7
191.10728	1.2
207.10245	5.8
208.10620	0.6
209.11839	6.2
225.11331	3.4
253.09171	0.6
283.39200	0.3
288.32620	0.4
313.18134	0.7
339.07333	4.5
340.07632	0.4
341.08661	0.8
367.50125	0.4
381.20367	1.0
385.72223	0.4
399.21725	1.8
417.22519	0.8
445.20099	0.4
455.25439	0.3
461.20059	1.3
617.28998	0.4
635.30878	2.9
636.31042	0.4
653.25403	14.9
654.25848	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	653.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09418	0.4
55.01797	0.5
57.03360	1.0
59.01266	8.7
60.99202	0.4
67.01793	1.0
69.03342	1.0
69.29423	4.0
69.29825	1.0
71.01280	6.1
72.99218	1.4
73.02851	1.8
78.95824	0.5
81.03373	0.5
83.01264	0.8
85.02853	4.2
87.00793	2.2
88.98710	0.6
89.02359	1.4
93.03366	7.5
95.01314	1.4
96.95924	1.9
97.02871	0.4
98.19776	0.8
99.00803	2.0
99.04408	0.7
101.02353	3.3
108.02084	49.6
109.02905	12.1
110.53636	0.4
111.04450	1.3
113.02366	3.2
119.04969	2.8
121.02862	1.4
123.00800	0.9
123.04485	0.7
125.02352	0.8
131.03304	0.4
134.03702	1.2
135.04456	1.6
135.11748	0.7
136.01659	0.6
137.02374	0.7
141.01698	0.7
143.03433	0.5
145.02901	0.7
147.04482	0.4
147.08061	0.8
151.03976	1.3
152.01100	100.0
153.01830	5.4
155.03470	0.7
160.89226	0.4
161.02324	0.6
161.04541	1.0
163.03969	6.2
164.04317	0.5
173.04512	3.6
177.01900	1.3
179.03490	1.1
179.10809	3.3
191.05589	8.8
191.07127	0.4
192.05927	0.5
193.05132	0.6
195.08197	0.6
195.12968	0.4
207.02945	0.6
211.07712	0.5
223.09718	0.5
263.97293	0.5
271.02582	2.1
297.06290	0.8
299.02121	3.7
315.07382	1.6
327.08829	0.9
333.19580	0.4
375.20383	0.5
385.11224	0.5
397.70706	0.4
403.12589	0.5
429.10492	11.9
430.10718	1.2
447.11569	13.6
448.11966	0.8
479.22693	1.2
503.14746	0.5
521.33386	1.3
575.44885	0.5
609.22028	32.3
610.22235	3.8
635.19708	1.0
653.20721	53.5
653.37915	3.1
654.21027	8.3
654.30298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54844	0.2
59.01265	2.7
60.99188	0.4
61.98727	0.7
65.00208	0.2
69.03341	1.5
69.44675	1.9
71.01275	0.9
78.95804	0.4
81.03374	0.2
85.02861	0.6
87.00777	0.5
88.98694	1.7
89.02342	0.7
89.03838	0.3
93.03373	0.3
95.01293	0.3
96.95932	0.3
97.02876	0.7
99.04418	0.6
101.02338	0.7
104.02559	0.2
105.03391	0.7
105.58950	0.2
107.01306	0.4
107.04940	0.3
108.02077	3.6
109.02859	0.7
111.00784	0.2
113.02364	0.6
115.01806	0.2
117.03391	1.2
119.03434	0.4
121.02918	0.4
123.00780	0.3
123.04444	0.5
125.02382	1.4
132.02106	2.5
133.02884	40.6
134.03166	1.4
135.00822	1.9
135.04451	13.3
136.04755	0.4
137.02380	0.8
139.03941	0.3
145.67902	0.2
150.06816	0.7
151.00310	0.3
152.01093	7.2
153.01817	0.3
159.04472	0.9
160.01549	0.4
161.02390	100.0
162.02725	4.4
163.07594	0.2
171.27196	0.2
173.04533	0.4
175.03915	0.3
177.05600	0.2
179.03461	9.0
180.03835	0.4
191.05577	1.3
197.06082	0.3
203.03481	0.6
205.01468	0.5
225.05530	0.2
243.06744	1.1
252.04373	0.3
255.02899	0.2
268.03796	0.2
269.04352	0.2
271.02545	0.5
279.02954	0.4
296.03079	0.3
299.02045	0.8
300.02750	0.2
304.75406	0.2
339.07281	0.8
357.08450	0.2
365.08752	3.4
366.09326	0.3
441.08447	0.3
491.34280	0.2
501.10651	3.7
502.10953	0.5
518.10779	0.8
519.22430	3.3
520.22778	0.4
567.15338	2.3
568.15833	0.3
592.38019	0.3
609.16266	39.8
610.16656	6.8
610.26819	0.3
653.39716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58662	0.4
57.03354	0.4
59.01265	1.3
63.02285	1.0
65.00228	1.2
71.61063	0.5
83.01273	0.7
85.02856	0.9
85.12012	0.3
87.00774	0.5
93.03362	2.6
107.01310	3.1
108.02118	0.9
109.02877	0.5
111.04425	1.3
113.02395	0.4
116.41439	0.4
117.03362	2.5
119.04953	23.1
120.05276	1.2
121.11073	0.4
123.04415	0.4
124.01570	0.5
132.02100	0.5
135.00801	0.8
135.04456	0.8
141.03380	0.5
143.04971	0.7
151.00316	7.4
152.01103	4.1
155.03455	1.8
155.04945	1.3
159.04477	1.2
163.03967	55.7
164.04291	2.2
167.04991	0.7
171.04463	0.6
173.04498	3.4
177.02016	0.4
178.99843	3.7
179.03464	0.6
182.03709	1.0
183.04478	7.0
183.05991	0.6
185.02402	0.7
187.04002	0.5
191.05594	11.2
192.05901	0.6
195.04590	0.6
198.62143	0.4
211.03995	3.8
227.03572	5.0
239.03554	1.6
240.04375	0.7
255.03046	46.5
256.03510	5.5
271.02704	0.4
283.02563	100.0
284.03183	15.8
285.04071	2.2
299.02057	1.3
315.05188	58.7
316.05472	4.0
337.09381	28.9
338.09555	2.2
523.00360	0.4
565.33405	0.4
609.22418	0.5
653.28412	0.8
653.37701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.9
59.01265	7.9
61.98717	1.2
63.02283	0.7
63.81553	0.5
65.00226	1.4
69.03359	1.0
71.01276	3.2
71.58350	0.8
73.02849	1.2
78.95779	0.7
80.56934	0.6
83.01279	1.2
85.02856	1.8
86.70885	0.5
87.00785	0.9
87.10329	0.5
88.98711	0.9
89.02342	2.6
93.03348	1.4
96.95939	1.5
97.02835	3.2
99.00785	0.9
99.04408	1.1
101.02360	2.0
107.01286	2.7
108.02092	2.1
113.02364	1.6
115.03954	0.9
117.03375	0.8
119.04987	0.6
121.02884	1.6
123.04456	1.1
125.02396	1.4
132.02118	2.5
133.02887	4.6
134.03667	6.1
135.00856	1.3
135.04472	5.8
136.01675	0.7
137.02402	1.7
145.02908	1.5
148.01579	0.8
149.05966	0.9
151.00314	7.2
152.01117	1.2
155.04976	0.7
157.02858	0.8
158.54338	0.5
159.04477	1.1
160.01607	7.4
161.02411	11.0
161.04538	1.3
162.02817	0.7
163.00337	0.7
163.04001	1.2
165.01860	1.0
169.01367	0.6
171.04472	1.4
173.04504	1.2
175.03947	8.6
176.04417	0.6
177.05589	0.6
179.03482	4.4
179.04848	0.5
179.05630	0.6
183.04463	1.8
187.03972	1.1
188.95013	0.5
189.01973	0.6
191.05620	5.0
193.05037	4.6
199.04002	9.4
201.01875	1.4
202.02530	0.6
203.03380	0.8
211.04007	1.6
215.03543	3.3
216.04243	0.6
221.04605	1.7
226.02686	1.2
227.03517	8.2
229.01495	0.5
239.03528	0.8
241.01411	0.7
242.02277	5.0
243.03006	35.0
244.03551	3.4
254.02245	1.1
255.03023	22.0
256.03506	1.9
257.04602	3.1
259.06067	0.8
270.01752	4.6
271.02536	58.9
272.03091	7.1
284.03238	0.7
285.04062	7.5
286.04840	3.3
287.05524	2.5
299.02039	71.5
300.02777	44.9
301.03201	2.7
313.03592	4.4
314.04391	48.8
315.05164	87.0
316.05505	6.2
323.07739	20.5
324.08063	1.2
328.05930	0.9
329.06735	10.4
329.17761	1.4
329.23453	0.8
330.06812	0.7
332.19589	0.7
337.09329	5.4
347.18671	1.3
477.10660	1.6
477.19727	0.6
491.12198	0.8
653.15259	100.0
654.15570	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	653.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42897	0.3
59.01262	4.2
60.99191	0.7
63.02288	1.3
65.00198	2.4
67.01770	1.4
69.03338	0.6
69.64844	1.8
69.65253	1.1
71.01275	2.4
72.14113	0.4
72.99216	0.4
73.02846	0.4
77.25628	0.4
81.03335	0.6
83.01267	1.8
85.02841	4.9
87.00773	3.0
89.02346	0.7
93.02764	0.7
93.03355	13.0
94.03696	0.7
95.01310	0.5
97.02872	0.7
99.00773	0.6
99.04398	0.5
101.02367	0.9
107.01290	3.2
107.04889	0.4
109.02888	0.5
111.04417	1.6
113.02342	1.3
117.03378	3.6
119.04951	4.6
121.02808	0.5
123.04448	0.6
124.01572	0.8
127.03946	1.5
133.02855	1.2
135.00798	0.9
135.04430	0.8
137.02409	0.9
139.00293	0.4
141.03413	0.7
145.02892	3.9
147.04439	0.4
151.00317	8.6
152.01105	6.3
155.03572	0.4
155.04976	1.5
159.04454	2.3
161.02396	1.6
163.00288	0.5
163.03947	5.0
164.04283	0.7
167.04930	0.5
169.01392	0.6
171.04498	1.2
173.02374	0.4
173.04524	4.9
173.05952	0.4
174.04893	0.4
178.98409	0.7
178.99843	8.8
179.03467	0.6
180.00342	0.6
182.03703	1.0
183.04475	10.1
185.02423	0.8
187.03984	0.6
191.05588	94.7
192.05925	3.9
196.05281	0.4
198.16344	0.4
211.03992	4.7
212.04417	0.6
227.03523	6.9
228.03967	0.7
239.03540	1.4
240.04199	0.7
255.03032	59.7
256.03525	7.7
257.04614	0.6
283.02548	100.0
284.03149	20.7
285.03986	3.2
315.05179	67.0
316.05496	6.1
337.09372	34.5
338.09775	3.0
437.59195	0.4
632.52252	0.4
653.31091	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	653.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90639	0.1
53.96842	0.1
55.14650	0.1
59.01261	0.3
63.02297	0.6
64.99933	0.2
65.00240	0.5
69.46507	0.2
69.46920	1.1
72.86775	0.1
74.86739	0.1
77.08409	0.1
82.32882	0.1
83.01279	0.3
85.02842	0.6
87.00774	0.2
89.00249	0.2
93.03377	0.6
98.20514	0.2
99.00761	0.1
105.03400	0.2
107.01312	1.1
109.02849	1.1
109.54229	0.1
113.04928	0.1
115.05486	0.3
119.01383	0.2
121.02807	0.2
127.03924	0.2
130.53088	0.1
131.05000	0.1
133.02882	2.7
135.00789	0.3
135.04402	0.8
143.04945	0.7
145.02869	0.3
147.00809	0.3
147.04523	0.2
148.01651	0.2
149.02339	0.2
151.00340	1.3
155.04956	0.4
157.02896	0.6
159.04445	0.2
161.02365	0.4
161.06067	0.1
169.02921	0.2
171.04465	1.9
173.02347	0.4
173.04512	0.2
175.03969	1.2
177.01894	0.4
179.03438	0.5
183.04501	0.5
187.03955	1.1
188.04573	0.2
191.03790	0.2
191.05585	4.7
197.02374	0.4
198.03220	0.5
199.03983	5.1
200.04382	0.4
201.01894	1.6
203.03510	0.2
210.51109	0.2
213.02025	0.2
214.02745	0.2
215.03537	2.3
215.05527	0.3
216.03856	0.2
225.01740	0.2
226.02716	1.3
226.04747	0.2
227.03479	2.5
233.07272	0.2
242.02315	0.7
243.02994	3.3
244.03348	0.2
254.02217	0.2
255.03000	0.7
271.02530	36.0
272.02863	2.7
282.01736	0.5
298.01254	0.2
299.02020	100.0
300.02411	10.0
301.03333	0.3
344.86343	0.1
351.07315	0.9
352.07620	0.2
353.08621	0.9
653.34015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32983	0.1
51.07951	0.1
58.06038	0.1
59.01256	0.6
63.02284	0.4
65.00212	0.3
69.76819	0.8
71.01277	0.3
80.25900	0.1
83.01272	0.3
85.02824	0.6
87.00787	0.2
88.58499	0.1
89.02332	0.2
93.03336	0.6
94.45982	0.1
95.01323	0.1
96.95895	0.3
101.02365	0.1
107.01297	0.9
108.02077	0.2
109.02873	0.8
113.02360	0.1
119.01281	0.1
119.04926	0.1
121.02870	0.2
127.03880	0.2
131.04930	0.2
133.02876	2.3
135.00815	0.3
135.04475	0.3
143.04959	0.5
145.02901	0.3
147.00807	0.3
151.00285	1.4
152.01048	0.2
155.04941	0.5
157.02878	0.3
159.04401	0.2
161.02371	0.6
163.03917	0.2
169.01392	0.1
169.02856	0.1
171.04483	1.6
173.02365	0.4
173.04562	0.3
175.03958	1.2
177.01799	0.2
179.03479	0.2
183.04454	0.4
185.02393	0.2
187.03918	0.9
189.05658	0.2
191.05579	9.0
192.05888	0.3
197.02426	0.3
198.03163	0.5
199.03979	4.4
200.04269	0.3
201.01909	1.5
203.03465	0.4
213.01952	0.2
214.02538	0.2
215.03477	2.1
216.03838	0.1
222.18059	0.1
225.43213	0.1
226.02704	0.9
227.03470	2.9
228.04001	0.2
229.01381	0.2
242.02171	0.5
243.03004	3.2
244.03400	0.2
255.02963	1.1
271.02524	34.0
272.02853	2.7
281.01501	0.1
282.01895	0.4
298.01044	0.2
299.02014	100.0
300.02417	8.5
301.03235	0.3
351.07297	0.5
353.08865	2.8
354.09207	0.2
360.57471	0.1
438.72681	0.1
495.02789	0.1
602.13727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69151	0.2
55.01770	0.4
57.03335	0.5
57.46692	0.2
59.01265	80.8
60.01599	5.1
61.01683	1.4
63.02302	0.8
64.35513	0.2
64.99924	0.2
65.00233	0.4
69.03338	0.5
69.61109	1.2
71.01271	10.7
72.01620	1.0
72.99207	0.6
73.02834	9.7
74.03186	1.2
75.03256	0.2
78.95791	3.4
79.52618	0.2
81.03403	0.2
83.01283	3.8
83.04909	0.2
84.01617	0.5
85.02842	3.3
86.03190	0.4
87.00788	0.7
89.02340	2.4
93.03331	0.9
95.01282	0.8
95.04935	0.2
96.96870	1.9
97.02855	0.3
99.00773	0.9
101.02346	12.0
102.02699	1.9
103.02795	0.4
105.03375	0.5
107.01294	1.0
109.02863	1.1
109.06496	0.2
111.04429	0.2
113.02357	4.8
114.02705	0.5
115.02858	0.2
115.05470	0.2
118.84659	0.2
119.03431	1.2
119.04925	0.3
121.02899	0.2
125.02383	0.4
131.03413	0.8
131.04980	0.3
132.02116	0.2
133.02878	4.8
134.03625	0.2
135.00800	0.4
135.04442	2.3
137.02345	0.3
139.02469	0.2
143.03456	0.9
143.04950	0.8
144.03825	0.3
145.02869	0.5
147.00746	0.4
147.04483	0.3
149.04477	1.5
150.04837	0.5
151.00311	1.1
155.03474	0.3
155.04979	0.5
155.52086	0.2
157.02896	0.6
159.02925	0.5
161.02368	0.5
161.04504	4.5
162.04828	1.3
163.03897	0.2
163.05087	0.3
169.01456	0.2
171.04462	1.7
173.02434	0.5
173.04480	0.7
175.03941	1.3
177.01901	1.5
179.03459	1.8
183.04430	0.4
185.02458	0.4
187.03949	1.2
189.05580	0.2
191.03760	0.2
191.05588	4.6
193.05038	0.2
197.02359	0.6
198.03159	0.4
199.03990	6.1
200.04231	0.4
201.01970	1.9
203.03389	0.4
204.05858	0.3
214.02730	0.3
215.03456	2.0
216.03818	0.2
220.05063	0.2
221.06755	1.1
222.06978	0.4
225.01964	0.3
226.02695	1.1
227.03488	3.2
228.03757	0.2
233.09541	1.8
234.09834	0.7
242.02234	0.7
243.03015	4.0
244.03374	0.3
255.02982	1.2
271.02530	42.0
272.02878	3.1
282.01617	0.3
299.02023	100.0
300.02438	9.5
301.03244	0.3
303.26727	0.2
315.18195	0.7
331.17737	1.8
332.08017	0.2
332.18021	2.4
333.19080	2.7
334.19333	0.2
351.07248	0.7
353.08878	2.3
354.09317	0.3
373.18631	1.5
374.18994	2.5
375.20203	4.5
653.28131	0.3
657.23602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.7
63.02271	0.8
65.00198	0.8
67.01750	0.2
69.03332	0.2
70.21603	0.3
70.22018	0.5
71.01267	0.7
78.95776	0.3
79.89542	0.2
83.01277	0.6
85.02846	0.9
87.00763	0.3
89.00219	0.2
91.01752	0.2
93.03343	1.4
95.01271	0.2
101.02345	0.2
107.01302	1.2
109.02836	1.1
113.02379	0.3
115.05446	0.3
116.47862	0.2
119.01287	0.2
119.04932	0.3
121.02858	0.2
133.02870	2.9
135.00793	0.4
135.04453	1.2
143.04938	1.1
145.02942	0.4
147.00751	0.4
147.04462	0.2
149.02423	0.3
151.00316	1.3
155.04951	0.5
157.02870	0.6
159.04498	0.2
161.02380	0.5
163.03957	0.4
169.01315	0.3
171.04462	2.5
173.02417	0.5
173.04512	0.5
175.03964	1.5
177.01907	0.3
179.03441	0.5
182.03647	0.3
183.04482	0.6
185.02505	0.2
187.04022	1.4
189.05539	0.4
191.05591	7.1
191.07344	0.3
192.05913	0.3
197.02446	0.5
198.03210	0.8
199.03990	6.2
200.04369	0.2
201.01942	2.1
203.03474	0.6
213.01985	0.3
214.02606	0.3
215.03523	2.5
215.05467	0.4
216.03983	0.2
225.01888	0.4
226.02722	1.1
227.03474	3.0
229.01471	0.3
241.01585	0.3
242.02194	0.7
243.03003	4.6
244.03366	0.4
255.02992	1.4
271.02536	44.7
272.02896	3.6
282.01733	0.4
298.01434	0.3
299.02029	100.0
300.02429	9.3
301.03406	0.5
351.07217	0.9
353.08810	0.7
373.15842	0.2
424.51678	0.2
444.64832	0.2
459.07333	0.2
602.61688	0.2
653.34241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21187	0.2
59.01263	3.5
60.01593	0.2
61.98709	0.2
62.47828	0.2
63.02029	0.2
63.02272	0.9
64.99944	0.2
65.00241	0.6
67.01775	0.4
69.31252	2.0
71.01273	2.4
72.99194	0.4
73.02833	0.8
81.03357	0.2
82.93491	0.2
83.01281	0.7
83.04936	0.3
85.02842	1.6
87.00772	0.6
89.00245	0.2
89.02357	1.4
93.03364	2.9
95.01301	0.3
96.95901	0.5
98.20677	0.3
99.00781	0.6
101.02354	1.5
107.01277	1.3
108.02089	0.8
109.02859	1.8
111.00807	0.2
111.04443	0.4
113.02369	0.6
115.05447	0.2
116.92788	2.8
117.03394	0.2
119.03342	0.2
119.04962	1.6
121.02887	0.4
127.03957	0.2
129.01826	0.3
131.05057	0.3
133.02895	2.5
134.03642	0.2
135.00830	0.5
135.04469	0.6
137.02411	0.5
143.04945	1.0
145.02881	0.9
147.04440	0.5
147.08038	0.3
148.98624	0.2
149.02374	0.3
151.00298	1.2
152.01091	1.1
155.03438	0.4
155.04948	0.3
157.02907	0.7
159.04442	0.2
161.02361	0.6
163.03946	1.4
171.04480	2.6
173.02414	0.7
173.04515	1.8
175.03943	2.0
183.04384	0.5
187.03967	1.3
189.05530	0.2
191.05608	5.4
192.05898	0.6
193.05092	0.3
197.02429	0.7
198.03206	0.5
199.03996	6.7
200.04327	0.4
201.01924	2.5
202.02266	0.2
203.03499	0.5
211.07584	0.4
214.02849	0.3
215.03526	2.9
215.05463	0.2
225.02051	0.3
226.02608	0.9
227.03526	3.3
242.02184	0.9
243.03001	4.0
243.88304	0.2
244.03244	0.3
255.03087	1.0
271.02539	44.5
272.02905	3.1
282.01666	0.4
299.02036	100.0
300.02402	8.2
301.03113	0.2
327.08853	0.3
351.07611	0.3
353.08893	0.2
359.28116	0.6
447.11777	0.2
479.22824	0.4
493.14423	0.2
521.33429	0.7
609.21881	0.2
653.19287	0.3
653.28131	1.4
653.37860	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	651.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11402	2.5
58.32469	2.2
60.00591	2.1
63.57553	2.8
68.17112	2.3
69.93919	9.8
78.95799	85.2
83.04892	2.5
96.96858	8.9
98.20539	3.4
111.06821	2.6
124.01526	3.8
148.49223	2.3
152.99522	59.4
202.60469	2.5
209.11813	28.4
227.12917	4.7
255.23344	100.0
256.23685	9.6
322.59869	2.4
326.69421	2.4
363.12338	9.1
391.22549	22.8
395.14590	3.9
409.23764	12.8
413.23621	3.9
413.37762	2.7
619.36365	67.2
620.36816	12.5
651.38916	27.3
652.39001	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	651.413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01595	0.8
71.01273	0.7
71.21935	0.7
76.95653	0.3
78.95786	1.7
93.27640	0.3
113.02374	0.5
116.62186	0.3
150.22365	0.3
152.99554	1.5
160.18718	0.3
161.04556	0.3
169.77650	0.3
172.06726	0.3
277.21777	22.8
278.22061	2.0
291.23477	0.5
452.97873	0.3
571.07550	0.3
635.17267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
57.03338	0.4
58.00480	0.4
58.70536	0.2
59.01264	100.0
60.01603	1.0
60.43039	0.2
69.03335	0.6
71.01268	11.4
71.16051	0.5
72.99205	0.6
73.02834	9.5
75.00770	0.3
78.95791	7.0
83.01276	2.5
85.02848	2.7
85.35748	0.2
87.00793	0.7
89.02337	4.9
95.01272	0.5
96.96856	4.7
99.00790	0.7
101.02347	11.6
113.02357	5.6
115.04095	0.2
119.03427	1.9
124.07160	0.2
125.02377	0.5
131.03452	1.0
132.22342	0.3
133.02910	0.3
135.04462	0.4
143.03439	1.2
145.02934	0.7
149.04485	1.7
155.03516	0.4
159.02959	0.3
161.02414	1.0
161.04503	4.4
163.03998	0.3
179.03455	0.3
179.05649	0.6
186.99704	0.3
191.05615	1.0
203.05412	0.3
207.04358	0.2
221.06718	0.7
233.09508	4.4
234.10002	0.5
294.11194	1.6
313.16541	1.5
331.17645	3.9
369.72357	0.2
373.18735	14.9
374.19147	1.9
417.12238	0.5
454.46585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.3
55.37248	0.2
57.03351	0.5
59.01265	100.0
60.01601	1.0
69.03349	0.3
71.01270	7.1
72.99217	0.3
73.02837	2.9
78.95793	4.2
83.01298	0.9
85.02845	3.8
89.02332	2.9
95.01307	0.9
96.96873	3.8
98.20557	0.6
99.00783	0.7
101.02348	4.8
113.02371	3.8
119.03413	1.3
126.19274	0.3
131.03407	0.3
143.03439	0.5
149.04422	0.3
159.02919	0.4
161.04498	2.3
163.14848	0.3
179.05621	0.8
191.05623	0.5
192.04199	0.3
207.06615	0.4
233.09480	4.2
234.09746	0.3
265.08679	0.5
313.16678	2.3
331.17709	5.2
373.18744	12.0
374.19199	1.0
417.21371	2.0
537.13916	0.3
670.96497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.9
57.03339	0.5
58.00472	0.5
59.01263	100.0
60.01608	1.1
63.71868	0.3
69.03354	0.4
69.50889	0.2
71.01266	14.6
71.76609	0.3
72.99220	0.4
73.02833	15.1
78.95788	4.1
83.01280	4.1
85.02835	5.1
87.00778	0.5
87.46111	0.3
89.02343	2.4
95.01287	0.8
96.96845	2.3
98.19794	0.9
99.00774	1.4
101.02343	17.1
113.02343	6.9
113.03065	0.5
119.03445	0.8
125.02410	0.8
131.03450	0.9
143.03395	1.6
149.04492	2.4
159.02974	0.8
161.04498	8.4
161.05844	0.5
179.05600	0.3
203.05566	0.6
221.06729	1.1
233.09508	2.6
279.89206	0.3
331.17706	7.2
332.18164	0.5
373.18741	9.3
373.23157	0.5
652.60083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02863	0.4
55.01752	0.4
57.03351	0.6
58.00459	0.5
59.01266	100.0
60.01598	1.3
61.02545	0.4
71.01271	11.3
73.02843	3.1
78.95800	4.7
79.52351	0.4
83.01304	1.4
85.02836	5.6
85.62074	0.4
89.02334	4.0
95.01299	0.6
96.96873	2.6
99.00826	1.3
101.02349	8.8
113.02350	4.6
119.03420	1.1
139.11278	1.0
143.03389	0.6
159.03001	0.6
161.04478	5.3
176.37102	0.5
191.05586	0.8
195.88686	0.4
227.03488	0.7
229.47278	0.5
233.09492	2.6
255.03189	0.8
284.03375	1.0
313.16782	1.5
331.17706	14.6
332.18106	1.1
373.18744	25.0
374.19119	2.4
379.34283	0.5
390.58151	0.5
417.08505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60702	0.3
55.46319	0.3
57.03340	0.6
59.01270	2.7
69.03355	0.8
69.85719	2.0
71.01277	2.8
72.99202	27.2
73.02827	0.9
73.99540	0.4
74.86505	0.3
83.01281	0.6
85.02854	2.1
87.00781	0.8
89.02337	0.8
91.49226	0.3
93.03358	1.1
96.95902	0.6
98.19874	0.6
99.00790	1.0
101.02351	1.4
113.02369	4.4
117.03350	1.9
119.04952	100.0
120.05288	4.0
121.02885	1.2
123.04443	1.1
124.04902	0.4
125.02412	0.4
129.05602	0.3
131.03467	0.8
133.02911	0.4
135.04433	0.4
145.02896	4.9
153.05528	0.9
162.03166	1.8
163.03969	65.1
164.04292	2.3
175.07613	0.4
191.05608	2.3
191.07079	0.4
211.13406	1.8
219.06572	0.6
277.07297	2.2
307.08368	1.5
325.09363	1.2
337.09451	0.4
413.08957	0.4
439.12543	27.7
440.13074	2.6
457.13602	4.0
458.13922	0.8
464.76871	0.4
555.80042	0.4
651.26691	32.2
651.36255	2.8
652.27100	6.8
652.37347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03345	0.7
59.01269	100.0
60.01606	1.2
71.01275	9.6
72.99282	0.3
73.02844	3.7
73.72843	0.3
76.25273	0.3
78.95802	10.4
81.03352	0.4
83.01274	1.9
84.96159	0.3
85.02847	4.4
87.00804	0.8
89.02357	2.3
93.03365	2.7
95.01288	0.9
96.95958	0.6
96.96229	0.5
96.96871	8.5
97.02853	0.3
98.19742	0.6
98.95509	0.4
99.00809	1.4
101.02348	6.6
111.04453	0.5
113.02369	4.0
116.92809	0.3
119.03471	0.9
119.04919	1.8
143.03494	0.5
145.02936	0.9
147.34651	0.4
149.04611	0.3
158.99924	0.3
159.02994	0.8
161.04530	4.8
163.04007	1.4
173.04500	2.0
177.01570	0.3
191.05602	4.7
206.77797	0.3
207.04262	0.4
233.09526	7.5
234.09831	1.9
235.10115	0.7
255.01814	0.4
313.16840	0.7
327.09088	0.7
331.17697	11.8
332.18372	0.9
337.09521	0.4
373.18768	18.9
374.19095	1.8
417.17847	0.6
439.85959	0.4
474.13455	0.3
492.13657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
56.90173	0.5
57.03322	0.7
58.00475	0.8
59.01265	100.0
60.01596	1.0
69.03344	1.4
69.69960	3.6
71.01270	24.7
72.99200	1.6
73.02835	33.7
75.00764	0.9
75.06322	0.5
78.95792	18.0
81.03417	0.5
83.01274	8.3
85.02852	4.9
87.00764	1.2
89.02337	7.4
93.03365	0.9
95.01290	1.2
96.96868	12.7
97.02886	0.8
97.06510	0.8
98.19820	1.0
101.02346	28.9
102.02656	0.6
106.64709	0.5
113.02364	11.7
113.71513	0.5
119.03405	3.4
119.04939	0.7
125.02363	1.2
131.03416	2.9
133.02893	1.8
134.07346	1.0
135.04427	2.9
143.03410	2.9
145.02936	0.8
147.08121	2.3
149.04530	5.0
149.09663	38.9
150.03178	0.5
150.10049	1.5
155.03365	0.7
161.02429	5.2
161.04509	10.4
163.04044	0.8
167.10747	0.8
179.03362	2.5
179.05688	0.6
191.05621	1.7
195.06618	1.5
197.45439	0.6
203.05609	1.2
221.06630	2.8
233.09486	19.2
234.09869	1.1
269.09503	0.5
295.28485	0.5
300.02802	0.5
311.15375	0.8
329.16171	2.6
371.17242	5.7
512.69751	0.6
569.13190	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	649.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
56.90173	0.5
57.03322	0.7
58.00475	0.8
59.01265	100.0
60.01596	1.0
69.03344	1.4
69.69960	3.6
71.01270	24.7
72.99200	1.6
73.02835	33.7
75.00764	0.9
75.06322	0.5
78.95792	18.0
81.03417	0.5
83.01274	8.3
85.02852	4.9
87.00764	1.2
89.02337	7.4
93.03365	0.9
95.01290	1.2
96.96868	12.7
97.02886	0.8
97.06510	0.8
98.19820	1.0
101.02346	28.9
102.02656	0.6
106.64709	0.5
113.02364	11.7
113.71513	0.5
119.03405	3.4
119.04939	0.7
125.02363	1.2
131.03416	2.9
133.02893	1.8
134.07346	1.0
135.04427	2.9
143.03410	2.9
145.02936	0.8
147.08121	2.3
149.04530	5.0
149.09663	38.9
150.03178	0.5
150.10049	1.5
155.03365	0.7
161.02429	5.2
161.04509	10.4
163.04044	0.8
167.10747	0.8
179.03362	2.5
179.05688	0.6
191.05621	1.7
195.06618	1.5
197.45439	0.6
203.05609	1.2
221.06630	2.8
233.09486	19.2
234.09869	1.1
269.09503	0.5
295.28485	0.5
300.02802	0.5
311.15375	0.8
329.16171	2.6
371.17242	5.7
512.69751	0.6
569.13190	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	648.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79552	0.5
54.26448	0.5
55.01764	0.9
57.03328	2.3
59.01269	25.1
60.01614	0.8
61.98699	1.6
67.01803	0.9
68.99706	0.7
69.03340	0.9
70.61907	0.5
71.01276	31.0
72.99200	9.1
73.02844	3.7
75.00771	27.6
78.95805	0.7
81.69742	0.6
83.01266	1.9
85.02354	1.3
85.02851	22.5
86.03162	0.8
87.00777	9.4
89.02349	5.8
93.03361	11.1
94.03680	1.1
95.01287	2.8
96.41784	0.5
96.95890	1.6
97.02837	0.6
98.18546	0.5
99.00791	10.1
101.02363	5.1
103.00267	1.5
108.02113	0.6
109.02820	0.7
111.00838	1.1
113.02367	24.6
114.02683	0.8
115.00278	2.5
117.01852	1.6
117.03320	0.8
119.03439	0.6
119.04940	2.6
125.02320	1.1
129.01889	1.3
131.03424	1.6
133.02843	0.9
134.03650	1.2
135.04439	0.9
137.02393	15.1
138.02658	2.9
139.04036	0.5
139.11206	1.4
143.03445	0.7
145.02907	1.4
149.04526	0.8
155.03360	0.7
157.01349	2.4
159.04395	0.7
160.60226	0.5
161.02359	1.3
161.04510	1.9
163.03973	3.0
173.04506	2.5
175.02461	4.9
179.03566	1.2
187.07539	0.7
191.05592	8.2
192.06021	0.7
193.03461	0.9
193.05045	1.1
197.29367	0.5
201.11325	2.4
211.07631	0.7
223.06366	7.7
224.06764	0.9
227.07117	1.3
230.06697	0.7
230.24805	0.5
231.10339	0.6
267.06979	1.8
306.80908	0.6
401.15259	0.6
463.72495	0.6
543.28119	1.0
544.14240	0.6
544.28375	1.6
561.29132	1.0
562.15924	1.0
562.29742	1.6
590.09882	0.7
598.23846	0.7
604.16858	100.0
605.17194	16.1
638.96442	0.7
648.26880	1.7
648.39313	1.5
649.39703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	77.9
60.44409	1.5
65.72435	1.5
69.03348	3.4
71.01278	3.2
71.62193	2.5
77.03852	2.7
81.03354	1.4
83.01264	1.8
83.04942	3.0
85.02852	4.4
87.00785	25.7
91.28760	1.3
93.03368	6.9
95.04923	17.4
97.02880	3.3
97.06445	1.6
98.00014	3.5
105.03380	9.9
107.64182	1.5
108.02115	2.0
109.02863	4.1
111.00790	3.8
111.04440	8.4
113.02322	1.7
115.00321	2.0
117.03368	4.0
119.04955	2.9
121.02875	3.6
123.04512	2.9
124.01590	1.9
132.02110	5.5
133.02884	51.3
134.03680	48.4
135.04494	13.1
137.02367	9.4
139.03954	16.6
142.02432	1.5
145.02885	6.7
146.03667	3.7
147.04475	54.9
148.04976	2.2
149.02309	2.0
150.03268	7.0
157.02869	2.4
158.03706	22.1
159.04483	7.2
160.01587	11.5
161.02409	23.4
162.03157	11.4
163.20581	1.5
173.02364	6.4
173.06084	1.7
174.03249	1.7
175.03972	19.4
176.04608	2.6
177.01921	9.4
177.05492	4.1
178.02670	12.9
183.02940	5.3
187.07501	3.1
191.05583	3.2
191.08444	1.6
200.01085	2.2
201.01930	13.1
201.04015	35.8
202.02724	31.2
202.04442	2.2
203.03398	4.1
210.06853	13.8
211.07448	4.3
212.08420	2.9
215.07236	3.5
219.08138	2.2
231.10294	31.6
232.10654	1.9
235.07593	8.0
236.08226	1.5
237.09253	10.8
238.09888	1.9
255.06477	3.2
256.07425	5.3
257.07990	1.5
263.07089	6.0
264.07837	2.3
273.11517	2.3
275.09341	100.0
276.09598	7.2
281.08224	2.1
299.09332	16.0
300.09842	3.1
307.06131	4.8
307.13446	2.9
331.08340	2.7
341.05139	2.5
349.09341	26.4
350.09695	2.8
360.08713	2.2
361.14728	2.0
379.15616	5.4
404.07626	2.0
404.12650	3.3
405.13351	5.5
423.14459	10.5
491.10059	5.8
492.10474	4.2
501.13931	3.0
551.12000	6.9
552.12628	13.0
553.13129	1.9
589.17395	28.7
590.17468	5.0
649.19659	16.1
649.40112	2.2
650.19763	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	647.3818
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
54.09792	0.2
55.01762	0.9
57.03341	2.5
58.00479	0.3
58.83537	0.2
59.01022	0.3
59.01267	2.5
67.01779	0.6
70.96246	0.7
71.01271	3.8
72.99185	0.9
73.02840	0.6
75.00768	17.7
83.01270	0.7
84.02061	0.3
85.02844	18.2
86.03173	0.5
87.00766	2.0
89.02355	0.4
93.03339	0.5
95.01287	1.5
99.00786	2.4
101.02345	0.3
110.14059	0.2
111.00796	0.3
112.01582	1.2
113.02358	14.7
115.00276	0.9
116.01079	1.5
117.01894	0.4
117.22638	0.2
129.01837	0.4
142.27881	0.2
157.01372	0.8
173.04509	0.5
175.02400	0.6
191.05589	2.4
250.52768	0.2
275.70276	0.3
297.77689	0.3
423.29404	0.5
439.32306	1.0
451.31949	0.6
453.34329	1.8
454.34290	0.3
467.31845	0.3
469.33118	1.7
470.33426	0.5
471.34885	13.1
472.35257	2.2
515.33917	1.1
536.91620	0.3
571.36774	1.2
601.00287	0.3
647.38147	100.0
648.38507	20.8
648.50018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3817
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
55.01771	0.8
57.03340	2.8
59.01265	3.6
61.98722	0.4
67.01797	0.3
71.01276	6.2
72.99194	2.2
73.02831	0.4
75.00764	17.8
78.95787	0.4
83.01277	1.0
84.02061	0.4
85.02845	17.9
86.03128	0.3
87.00764	2.8
89.02355	0.6
94.37795	0.3
95.01266	1.6
96.95885	0.4
98.91367	0.2
99.00768	2.7
101.02328	0.3
104.35036	0.3
112.01553	0.6
113.02356	13.1
115.00269	1.0
116.01060	0.6
116.92754	1.2
117.01854	0.6
129.01855	0.6
157.01398	1.4
161.02451	0.5
175.02444	0.8
191.05550	0.7
423.32880	1.0
437.30762	0.4
439.32394	1.2
451.32196	0.6
453.33875	0.7
469.33289	1.0
471.35046	7.6
472.35101	1.2
527.33844	0.6
571.36322	0.8
587.36072	0.3
624.16986	0.3
647.38165	100.0
648.38470	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	647.3819
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
55.01773	0.5
57.03326	0.5
59.01272	4.6
61.98418	0.4
61.98719	4.9
71.01279	3.6
71.60777	0.4
73.02827	1.2
73.54307	0.3
78.43328	0.3
80.20309	0.3
83.01293	0.8
85.02848	2.5
85.61182	0.4
89.02341	0.7
90.82270	0.4
93.03345	0.4
95.01276	0.5
96.95905	0.9
98.95491	0.4
99.00762	0.5
100.19841	0.4
101.02333	2.8
113.02320	1.0
116.92759	2.1
119.34170	0.4
191.05557	1.3
213.14935	1.1
485.32953	4.8
486.33124	0.8
498.22189	0.4
647.38171	100.0
648.38507	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	647.309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17308	0.1
59.01268	0.5
61.28173	0.1
61.98738	0.1
67.36063	0.1
70.45177	0.2
70.45533	0.4
71.01264	0.1
71.04878	0.1
81.03349	0.3
93.03359	0.3
95.01288	0.1
95.04424	0.1
95.04910	0.7
105.03345	0.1
108.02094	0.2
121.02894	0.4
122.03683	0.8
123.04443	68.7
124.04774	2.4
127.07584	0.5
135.04427	0.1
137.02443	0.2
152.04810	0.2
153.05524	100.0
154.02512	0.1
154.05856	3.7
163.11139	0.2
168.96634	0.1
168.98083	0.1
191.07097	1.6
195.06659	0.2
205.08705	1.0
230.40546	0.1
242.14481	0.1
269.19196	0.2
282.86591	0.1
297.09906	0.3
313.18356	0.3
315.10931	18.0
316.11215	1.3
323.89514	0.1
331.19223	13.1
332.19583	1.4
349.20273	2.5
350.20575	0.3
375.35693	0.1
618.88519	0.1
647.30865	1.6
648.31177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41761	0.1
59.01263	1.4
61.98708	0.2
63.85450	0.2
69.43655	0.9
69.44070	0.5
71.01286	0.7
73.02855	0.2
81.03371	0.2
85.02836	0.4
89.02376	0.4
93.03362	1.3
95.04918	0.5
97.02847	0.3
101.02353	0.6
108.02112	0.3
109.02865	0.7
113.02362	0.2
119.04913	0.2
119.84887	0.2
121.02886	0.5
122.03638	0.5
123.04443	60.9
124.04765	2.1
127.07590	0.3
131.03419	0.2
135.04485	0.2
137.02373	4.5
145.02892	0.2
153.05521	100.0
154.05862	4.4
163.03973	0.4
173.04491	0.3
191.05551	0.8
191.07150	2.0
195.06538	0.3
201.11288	0.7
205.08652	1.3
209.11806	0.9
221.08109	0.2
297.09814	0.4
299.07968	0.2
315.10934	16.4
316.11206	1.3
329.17755	0.2
331.19223	19.6
332.19604	2.6
349.20258	2.1
350.20761	0.2
425.86423	0.2
593.12555	0.2
593.59741	0.2
647.27118	1.2
648.29053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01591	0.8
55.01756	1.8
57.03334	3.0
58.27915	0.9
59.01266	88.6
61.84955	0.8
61.98723	2.2
67.01776	2.1
71.01271	37.2
71.08655	2.4
72.99188	1.9
73.02833	11.3
75.00788	2.0
78.95815	3.6
83.01289	4.1
85.02847	20.1
87.00759	4.4
88.98717	1.2
89.02348	6.1
93.03362	30.9
95.01294	3.1
96.95906	8.9
96.96870	1.8
96.99210	2.6
97.02856	1.2
99.00788	4.5
101.02354	18.4
109.02858	2.3
111.00790	2.6
111.04459	4.2
113.02354	17.9
116.92801	1.1
117.03401	3.4
119.04947	32.4
120.05273	2.5
123.04428	1.2
125.02415	2.3
130.04248	1.0
131.04932	1.8
133.02881	4.4
134.03709	4.5
135.04419	3.9
137.02374	14.0
138.57692	0.9
143.03453	2.8
143.04971	13.6
145.02881	6.7
145.06572	1.0
147.04436	1.2
153.01903	1.5
155.03448	6.1
159.02922	2.0
161.02411	2.2
161.04520	10.6
163.03960	49.1
164.04317	2.6
171.04428	1.2
173.04507	24.4
178.02699	2.7
179.03461	2.5
180.04161	1.1
185.06033	1.0
191.05579	43.0
192.05939	2.4
193.05026	2.1
195.06618	2.5
211.07634	14.0
212.07996	1.6
223.07649	2.3
235.07742	3.0
237.07259	0.9
237.09241	5.8
237.18665	1.1
239.10841	1.1
252.08928	1.0
265.08740	18.3
266.09299	2.1
267.07144	3.1
267.11469	2.5
283.09927	1.0
309.07724	5.9
310.40741	1.1
319.08316	6.7
327.08807	100.0
328.09109	11.6
337.09286	12.8
338.09839	1.1
343.11963	2.8
347.18912	1.2
355.83072	1.0
375.13089	1.3
375.63107	1.5
399.24277	1.3
483.13016	3.7
501.13916	2.4
502.14499	1.0
515.48792	1.0
543.28223	84.5
544.28540	12.2
561.29315	50.6
562.29651	6.6
603.21643	1.6
603.30353	10.1
604.30707	1.7
629.22583	1.5
647.17725	2.7
647.38495	6.9
648.19910	1.3
648.38983	2.0
651.48358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.286
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
53.05209	2.2
58.93211	2.3
59.01272	16.6
61.98704	6.0
68.93928	1.9
71.01279	16.4
72.99218	3.2
73.02830	5.2
85.02831	8.2
87.00758	2.9
89.02323	7.2
95.01304	2.3
97.02833	6.9
99.00768	4.5
101.02334	9.4
102.04929	2.2
111.00755	2.5
113.02348	5.8
114.72476	2.2
119.04977	2.8
120.64262	2.1
123.04435	4.0
131.81010	2.2
133.02849	4.5
135.04408	5.8
137.02310	2.2
137.51373	2.1
153.05502	5.4
155.10721	3.7
160.23618	2.6
161.02379	13.8
169.49353	2.3
173.04475	4.9
191.05528	9.0
209.11771	2.7
429.40598	2.5
479.26462	3.9
579.52307	2.9
603.29254	11.6
609.25769	4.2
611.30914	87.1
612.31091	12.7
647.28467	100.0
648.28735	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	647.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.2
57.03322	2.8
58.00478	2.2
59.01267	100.0
60.01590	1.1
61.98725	2.0
67.01784	2.4
69.03340	2.4
71.01273	68.2
71.60449	1.6
72.01581	1.3
72.99207	5.7
73.02834	20.9
75.00757	1.7
75.83889	0.8
78.95780	1.8
83.01283	7.8
85.02847	23.4
87.00773	6.4
89.02340	38.6
93.03361	23.7
95.01295	5.2
96.95912	6.5
96.99187	1.4
97.02856	1.6
99.00776	4.2
101.02348	34.9
109.02841	2.9
111.04412	4.0
113.02363	44.9
114.02663	1.0
115.00246	1.0
117.03400	2.2
119.03425	14.1
119.04935	10.5
124.01624	1.8
125.02364	3.8
127.03959	2.3
129.01938	0.9
131.03429	4.7
131.04936	1.5
133.02859	3.8
134.03650	2.5
135.04434	4.1
135.37979	1.0
136.01524	1.1
137.02380	50.5
137.05949	0.9
138.02721	1.5
139.00247	1.2
143.03476	6.2
143.05000	6.6
145.02885	2.9
149.04497	3.7
152.01123	1.5
153.52637	0.9
155.03384	2.5
159.04460	1.1
161.02423	2.3
161.04514	10.8
163.03975	9.4
173.04524	19.9
174.04759	1.2
177.01817	1.2
178.02676	1.8
179.03452	4.0
179.05620	11.0
184.15953	0.9
191.05598	74.6
192.05920	3.8
193.04887	1.8
195.06598	1.8
201.11320	1.4
209.11790	1.2
211.07622	3.8
221.06464	1.0
223.07619	1.9
231.16031	1.4
237.09280	2.2
251.07213	1.3
251.10771	0.9
256.00116	1.0
265.08755	6.0
279.10281	3.4
299.07791	3.4
309.07864	1.7
319.08533	1.3
327.08817	35.7
328.09177	4.3
337.09338	12.4
343.12241	1.7
347.18436	1.3
353.23456	1.9
360.99518	1.0
399.23834	2.3
440.98691	1.0
473.12274	5.2
501.14114	2.8
543.28253	51.8
544.28656	7.6
561.29303	37.2
562.29547	5.1
603.30109	5.9
647.17065	2.0
647.25873	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	647.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.8
61.98718	1.0
69.03319	0.3
71.01279	1.8
71.57028	0.5
71.57464	0.6
71.96367	0.3
78.95811	0.4
82.95269	0.6
85.02847	1.3
93.03381	0.9
96.95902	1.8
101.02325	0.4
105.03369	0.8
109.02882	0.7
113.02333	0.7
116.92740	0.4
117.03344	0.8
119.04907	0.4
121.02838	0.4
132.02107	1.7
133.02879	36.1
134.03464	1.5
135.03419	0.8
135.04445	14.8
136.04810	0.5
137.02388	0.9
139.03940	0.5
140.84238	0.4
147.04402	0.6
159.04538	0.5
160.01622	0.8
161.02390	100.0
162.02742	5.2
163.03973	0.7
173.04512	1.1
175.04019	0.4
178.27957	0.4
179.03467	9.5
180.03786	0.5
191.05591	4.8
192.06006	0.5
195.06648	0.7
200.78726	0.3
203.03510	0.5
219.03218	0.4
219.98079	0.4
255.03061	0.4
255.06606	0.4
283.02472	1.2
325.33102	0.4
353.08951	0.8
381.08325	0.7
561.27271	2.3
603.28229	56.9
604.28558	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	647.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.4
71.01273	0.2
71.10070	0.2
71.10392	0.1
81.03349	0.5
85.02847	0.1
87.00799	0.1
91.01799	0.3
93.03374	0.7
96.95910	0.2
108.02081	2.3
108.02830	0.2
109.02866	66.8
110.03210	2.1
116.72042	0.1
119.04970	0.2
135.04482	0.1
137.02380	0.6
152.01091	0.1
153.01884	100.0
154.00932	0.2
154.02216	3.8
163.03986	0.2
173.04530	0.2
191.05577	0.6
191.07127	0.2
205.08740	0.2
208.52786	0.1
243.05031	0.1
297.06241	0.2
315.07312	2.8
316.07626	0.2
327.08975	0.1
331.19202	1.2
332.19424	0.1
349.20297	0.1
383.24231	0.1
647.26917	1.7
647.35846	0.1
648.27515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	4.3
60.99205	0.3
61.98714	1.1
65.84998	0.3
71.01279	1.4
71.07796	0.6
71.08142	0.3
73.02827	0.7
75.29143	0.3
78.95796	0.3
83.01309	0.3
85.02844	0.6
86.52850	0.2
87.00765	0.3
88.98696	0.8
89.02341	0.7
93.03355	0.6
96.95906	1.8
101.02339	0.8
105.03397	0.6
107.04896	0.4
109.02874	1.1
113.02395	0.7
117.03374	1.1
121.02879	0.3
125.02393	0.4
132.02080	1.9
133.02882	35.2
134.03583	1.3
135.04453	15.3
136.04802	0.7
137.02359	0.7
139.03941	1.2
143.94870	0.3
145.02864	0.3
153.01903	1.2
159.04434	0.5
161.02386	100.0
162.02728	6.5
163.02869	0.3
178.02724	0.3
179.03462	8.8
180.03815	0.9
191.05609	1.9
252.26714	0.3
331.19458	0.4
345.20959	0.4
353.09024	0.3
561.27148	2.4
562.28143	0.4
585.25531	1.5
603.28210	57.1
604.28516	10.9
609.25647	7.5
610.25891	1.2
611.26276	1.9
647.27466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01264	3.4
62.85171	0.2
70.85539	0.7
71.01267	1.6
73.02831	0.8
85.02827	0.7
89.02345	0.6
89.03874	0.2
96.95910	0.5
99.00788	0.4
101.02323	1.2
105.03400	0.6
107.04936	0.5
113.02364	0.5
117.03354	0.8
132.02086	1.8
133.02878	35.3
134.03590	1.5
135.04448	19.3
136.04738	1.3
137.02348	1.0
153.05534	0.3
159.04485	0.6
160.01625	0.3
161.02388	100.0
162.02728	5.9
163.02850	0.3
166.36185	0.2
179.03452	11.4
180.03769	1.0
181.03973	0.3
191.05655	0.6
203.03523	0.6
452.28653	0.2
556.95624	0.3
561.27155	3.1
562.27161	0.3
603.28217	63.7
604.28613	13.6
604.36664	0.2
609.25568	11.4
610.25922	2.4
611.26160	3.0
651.30084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96652	0.1
59.01269	1.8
61.35729	0.1
61.98713	0.3
65.03834	0.1
67.01790	0.2
70.96671	0.3
70.97051	0.3
71.01287	0.8
72.99209	0.1
73.02834	0.4
78.95812	0.2
81.03351	0.5
83.01255	0.2
85.02849	0.5
87.00764	0.3
87.37768	0.1
89.02350	0.6
91.01786	0.2
93.03351	1.3
96.95922	0.5
101.02342	0.5
108.02077	2.3
109.02866	62.1
110.03214	2.7
111.03278	0.2
111.04404	0.2
113.02364	0.6
113.18607	0.1
119.03441	0.3
119.04933	0.6
125.02376	0.1
129.01859	0.2
135.04451	0.5
135.93265	0.1
137.02371	1.2
139.03992	0.1
145.02914	0.4
151.00354	0.1
153.01883	100.0
154.02219	4.8
155.02362	0.8
161.02406	0.2
163.03964	0.8
173.04526	0.8
177.05493	0.2
179.03416	0.1
191.05603	1.5
191.07140	0.2
193.04985	0.2
283.09940	0.3
315.07324	3.4
315.10986	0.2
316.07422	0.2
327.08929	0.3
331.19302	1.8
332.19675	0.2
349.20218	0.2
386.09863	0.1
543.28076	0.4
561.28943	0.2
647.26453	1.6
648.27466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.4
61.98722	0.3
67.01762	0.1
69.58762	0.1
69.84042	0.3
69.84444	0.7
71.01266	1.0
72.99214	0.2
73.02827	0.4
78.95793	0.2
81.03347	0.5
83.44855	0.1
85.02846	0.7
87.00797	0.2
89.02365	0.7
91.01787	0.2
93.03362	0.4
93.44052	0.1
95.01274	0.3
96.95923	0.5
98.19820	0.1
101.02354	0.7
102.60397	0.1
107.70261	0.1
108.02071	2.4
109.02864	65.1
110.03194	2.1
113.02320	1.0
113.73402	0.1
119.03443	0.3
119.04966	0.6
123.04433	0.3
127.16139	0.2
131.03453	0.7
133.02844	0.2
134.03595	0.2
135.04471	0.3
137.02374	0.4
139.04025	0.1
145.02969	0.2
152.01112	0.2
153.01880	100.0
154.02216	3.7
161.02400	0.4
161.04549	0.2
163.03992	0.7
173.04588	0.3
191.05537	0.9
209.11871	0.3
249.15079	0.2
297.06287	0.4
315.07312	3.7
327.08813	0.2
329.17618	0.2
330.96979	0.2
331.19247	0.6
439.32370	0.7
440.32281	0.2
470.74673	0.2
478.23355	0.6
478.73364	0.3
545.57764	0.2
603.28174	0.2
617.78748	0.2
647.27100	3.6
648.27643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50565	0.1
59.01265	2.4
61.98719	0.2
67.64371	0.1
71.01276	1.1
71.63126	0.2
72.99205	0.1
75.00770	0.2
78.95811	0.1
81.03347	0.6
85.02843	0.6
87.00747	0.2
89.02331	1.1
91.01789	0.3
93.03358	0.5
95.01296	0.2
96.95906	0.3
97.02875	0.1
99.31136	0.1
101.02357	0.7
108.02082	2.7
109.02867	65.6
110.03201	1.9
113.02370	0.8
116.92738	0.1
119.03439	0.3
119.04942	0.3
123.04442	0.5
131.03423	0.7
133.02872	0.2
135.04446	0.3
137.02383	0.5
143.03442	0.1
145.02893	0.2
152.01114	0.2
153.01884	100.0
154.02223	3.6
161.02347	0.2
161.04570	0.2
163.03966	0.2
173.04536	0.3
179.05554	0.2
185.73598	0.1
191.05605	0.7
191.07162	0.2
205.08754	0.2
209.11751	0.2
222.08763	0.1
235.45708	0.1
297.06238	0.2
315.07297	3.2
315.10983	0.2
316.07675	0.2
331.19189	0.7
336.76364	0.1
349.20087	0.2
351.93143	0.2
415.14474	0.2
439.32150	0.6
440.32596	0.2
478.22961	0.6
478.73520	0.3
584.14355	0.2
603.28156	0.2
617.29181	0.3
647.27173	3.2
648.27820	0.5
673.18512	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	647.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	1.2
57.03345	1.5
58.00467	1.2
59.01266	100.0
60.01604	1.2
65.17715	0.7
69.03336	1.6
71.01270	35.3
71.58472	0.9
72.99226	1.9
73.02838	55.6
76.02869	0.8
78.95795	15.9
78.96217	1.2
79.12760	0.6
83.01277	15.5
83.01720	1.2
85.02848	4.7
87.00783	1.8
89.02345	9.2
89.75475	0.8
92.48533	0.8
95.01300	2.0
96.95924	1.0
96.96865	10.3
97.02875	1.1
99.00793	1.3
101.02349	50.8
102.02708	1.7
107.37857	0.7
113.02349	16.4
119.03426	6.6
125.02383	2.2
131.03403	5.1
137.02429	0.8
143.03452	5.4
147.03064	0.8
149.04491	12.4
149.05656	1.0
154.35899	0.7
155.03418	1.6
161.02443	1.2
161.04500	22.6
162.04860	0.8
172.08603	0.9
174.03201	0.9
185.57034	0.7
189.05573	1.9
191.05602	3.4
203.05649	2.7
211.07671	0.9
221.06667	10.9
233.09489	12.8
233.11659	0.9
234.09967	1.7
265.08646	1.0
309.13348	0.9
327.08798	2.3
327.14621	2.0
369.15680	2.7
413.32297	0.8
581.00018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.0
59.01269	2.3
61.98707	0.5
69.03340	0.8
70.90470	0.8
70.90854	0.3
71.01274	2.7
72.99202	1.1
73.02834	0.9
78.95796	0.9
83.01280	0.4
85.02840	3.2
87.00779	1.0
89.02362	0.7
93.03363	3.3
95.01287	1.1
96.95914	9.1
96.96852	0.4
97.02844	0.3
99.00781	1.3
101.02353	1.2
107.04937	0.4
108.02081	42.9
109.02898	8.6
111.00769	0.3
111.04434	0.4
111.08090	0.3
113.02375	1.5
119.04964	2.5
120.05312	0.3
121.02885	1.1
123.00784	1.0
125.02384	0.7
127.11208	4.8
129.01830	0.3
133.02885	0.7
134.03633	0.6
135.04433	1.2
137.02374	0.7
145.02881	1.2
149.02460	0.3
150.03131	0.4
151.00235	0.3
151.03954	0.9
152.01096	98.4
153.01840	6.0
155.03424	0.5
161.02464	0.4
161.04539	0.8
163.03961	6.0
164.04356	0.4
165.05540	0.3
169.12270	0.9
171.10216	1.1
173.04504	1.8
175.03958	0.4
177.01918	1.5
179.03427	1.5
181.05272	0.3
189.01923	0.3
191.05585	9.1
192.05881	0.5
199.13345	0.4
205.05121	0.3
207.02975	0.9
209.96684	0.3
210.06895	0.5
211.07588	0.5
217.14458	19.4
218.14810	1.1
219.02814	0.4
223.07748	0.3
271.08328	0.4
293.79019	0.3
297.06219	0.7
300.02710	0.4
315.07315	1.2
319.08276	0.7
327.08929	1.2
429.10480	11.4
430.10724	1.0
447.11545	4.5
448.12039	0.6
647.25745	100.0
648.26093	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	647.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.2
57.03339	100.0
58.03692	1.0
59.01265	90.6
65.67204	0.5
71.01270	16.3
73.02835	7.7
78.95790	14.0
81.03360	1.5
83.01276	3.5
85.02840	9.0
86.01313	0.7
87.00758	0.8
89.02347	1.0
93.03362	1.6
95.01276	1.3
96.95925	1.2
96.96224	0.6
96.96865	10.3
97.02837	0.9
99.00780	2.5
99.04419	98.9
100.04746	2.1
101.02345	37.6
113.02354	8.0
119.04932	1.3
119.42164	0.6
125.02366	38.9
126.02693	1.1
129.01836	0.7
143.03430	5.9
147.66219	0.7
159.02893	2.3
161.04510	11.3
163.03954	1.7
168.10921	0.5
168.54214	0.5
173.04478	0.8
187.93532	0.6
191.05595	2.9
214.37463	0.6
215.43129	0.6
233.09499	14.2
234.09882	0.7
235.16515	0.6
244.14981	0.6
269.10345	18.1
270.10596	2.0
305.29047	0.6
311.11423	18.6
312.11670	1.4
327.08832	4.2
351.14713	4.9
369.15390	1.8
413.14600	64.7
414.09857	0.6
414.14954	7.5
433.41910	0.7
647.21271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
59.01267	3.5
61.98727	0.3
67.01767	0.9
69.03339	0.5
69.92079	1.6
71.01273	2.7
71.07376	0.2
73.02847	0.7
75.00774	0.3
78.95802	0.4
83.04922	1.0
85.02848	5.9
87.00790	1.4
89.02360	0.9
93.03362	20.6
94.03691	0.7
96.40270	0.3
96.95914	1.6
96.96893	0.4
96.99209	0.4
97.02857	0.4
98.20525	0.5
98.95490	0.3
99.00769	0.5
101.02342	0.9
108.02142	0.4
109.02866	0.8
111.00802	0.7
111.04434	3.8
113.02350	1.0
116.92734	0.5
117.03347	0.6
119.04948	57.0
120.05279	2.0
121.02840	0.4
127.03916	1.7
129.01862	0.6
131.04976	0.4
133.02876	0.9
134.03632	0.5
135.04489	1.2
137.02382	13.1
137.03442	0.7
138.02705	0.4
143.04971	3.1
145.02942	1.4
147.04431	2.1
155.03462	3.8
160.01584	0.3
161.02316	0.3
163.03960	100.0
164.04311	4.9
171.02975	0.3
171.04434	0.3
173.04515	18.6
174.04843	0.4
179.03448	0.7
191.05591	60.7
192.05951	2.1
193.05112	0.4
201.04056	0.4
205.08653	0.3
210.06783	0.4
211.07648	11.4
212.07948	0.9
233.09711	0.4
235.07657	0.7
237.09241	1.2
239.10760	0.3
261.14926	0.5
265.08798	3.1
301.10751	0.6
309.07748	1.1
327.08823	9.5
328.09100	0.9
329.17532	0.5
337.09372	36.7
338.09698	3.2
343.13181	0.3
347.18713	3.2
348.19019	0.3
357.11078	0.3
439.12607	1.4
483.13162	2.8
484.13763	0.5
501.14096	0.8
543.28253	1.5
561.29272	0.5
624.63013	0.3
647.17926	1.6
647.26984	0.6
648.17450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
57.70226	0.5
59.01266	4.7
67.01759	1.2
69.03334	0.7
69.32140	1.0
69.32552	3.4
71.01273	2.3
71.50742	0.4
72.99164	0.5
73.02819	0.7
78.95797	28.7
81.03345	0.6
83.04903	1.3
85.02829	2.3
85.35507	0.4
87.00785	1.7
89.02367	1.2
92.91621	0.5
93.03361	22.7
96.95910	8.3
96.96866	21.9
96.97819	0.7
96.99209	2.8
98.95480	0.8
101.02326	1.1
107.04910	0.5
109.02863	1.5
111.00781	0.9
111.04425	3.6
113.02346	0.9
117.03375	5.0
119.04947	28.8
120.05316	0.8
121.02841	0.9
123.04421	1.2
127.03938	0.6
130.04144	0.4
131.04967	2.1
133.02895	2.1
134.03635	1.1
135.04478	1.1
137.02371	8.1
143.04971	12.1
145.02895	16.0
145.06593	0.8
146.03226	0.8
147.04527	0.5
149.40240	0.4
152.01079	1.0
155.03444	10.4
159.04512	0.8
160.87492	0.5
161.04691	0.5
163.03972	24.8
164.04341	1.0
171.04439	0.8
173.04527	17.9
173.06029	1.0
174.04941	1.0
191.05615	9.4
191.07324	0.6
195.06514	0.6
195.08150	1.1
203.75348	0.5
207.75661	0.5
209.06143	0.5
210.06871	0.7
211.07692	10.1
212.07965	1.0
221.09706	0.8
223.07629	3.6
233.09506	40.9
234.09872	1.8
235.07715	1.9
237.09264	6.0
239.10808	1.4
247.07643	0.5
264.08209	0.6
265.08771	13.4
266.09021	1.4
283.09814	7.6
284.10135	0.7
309.07764	3.3
319.08292	20.3
320.08490	0.6
327.08813	100.0
328.09167	10.0
337.09399	2.5
411.56033	0.6
483.12997	5.7
484.13867	0.6
501.14349	1.8
543.28198	1.3
603.22583	0.6
647.17407	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	647.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	3.4
57.03332	0.5
59.01265	3.5
64.94331	0.3
65.46101	0.3
67.01774	1.2
69.03333	0.3
69.49756	0.3
71.01270	3.7
72.99185	0.3
73.02829	0.8
77.19222	0.3
81.03340	0.4
83.01268	0.8
83.04904	0.6
85.02847	3.1
87.00758	0.8
89.02346	2.9
93.03358	10.5
94.03693	0.4
97.02888	0.4
99.00759	0.7
101.02351	0.7
106.62283	0.3
107.04940	0.4
109.02856	1.4
111.00770	0.7
111.04425	3.4
112.47446	0.3
113.02354	1.0
120.19437	0.3
127.03954	1.1
131.03412	0.4
133.02870	3.9
134.03650	0.8
135.04448	20.7
136.04791	1.0
137.02356	2.2
144.10486	0.4
153.01952	0.6
155.03445	2.8
161.02391	18.1
162.02760	0.9
170.61891	0.3
173.04512	22.7
174.04884	0.7
179.03470	14.6
180.03828	0.7
191.03912	0.5
191.05577	5.3
192.05954	0.6
229.51376	0.4
247.08273	0.6
251.05573	1.0
261.06293	0.4
261.46289	0.3
305.08841	19.1
306.09244	1.1
311.07645	0.6
323.09900	18.5
324.10275	1.3
331.80292	0.3
467.12012	0.4
485.13104	100.0
486.13434	11.2
556.50818	0.4
647.16388	5.4
648.16815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35784	0.1
58.56158	0.1
59.01274	0.5
61.98700	0.1
64.61437	0.1
67.01784	0.1
69.35425	0.6
69.35844	0.2
70.50835	0.1
71.01269	0.2
71.04910	1.9
72.99162	0.1
73.02839	0.1
75.00739	0.1
81.03339	0.2
82.78175	0.1
83.01303	0.1
85.02854	0.2
89.02358	0.1
93.03353	0.8
95.01292	0.3
95.04906	0.8
96.95907	0.1
97.02856	0.3
101.02335	0.1
105.03325	0.2
107.04934	0.3
108.02067	0.5
109.02872	1.0
111.04439	0.1
113.02402	0.1
114.45866	0.1
119.04913	0.4
121.02875	0.5
121.06532	0.2
122.03685	0.7
123.04443	73.3
123.08057	4.0
124.04772	2.4
124.08385	0.3
125.02387	0.1
127.07597	0.2
135.00865	0.1
135.04449	0.2
137.02342	0.6
145.02974	0.1
151.03970	0.3
152.01089	0.3
152.04745	0.1
153.05518	100.0
154.02705	0.1
154.04570	0.2
154.05849	3.9
161.04593	0.1
161.09662	0.2
163.03969	0.3
167.68024	0.1
173.04539	0.3
179.03429	0.1
189.09181	0.8
191.05548	0.6
191.07126	2.4
192.07480	0.2
195.06544	0.2
205.08656	2.4
206.09142	0.3
217.16051	0.1
219.13869	0.4
221.08192	0.2
231.13931	0.3
245.11861	0.2
263.12933	0.2
263.31598	0.1
275.13000	0.1
283.02505	0.2
285.18771	0.3
297.09897	0.3
303.19882	0.4
315.10919	9.3
316.11255	0.8
327.08713	0.1
329.17642	21.7
330.17993	2.8
331.18304	0.2
347.18713	7.8
348.19055	1.0
349.19415	0.1
355.44882	0.1
420.09665	0.1
457.13773	0.1
499.12469	0.1
552.12152	0.1
627.82880	0.1
645.25958	1.1
646.26959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08654	0.2
59.01261	1.3
61.98724	0.4
62.36792	0.2
69.03314	0.2
71.01272	0.8
71.04909	1.9
72.99181	0.1
78.95767	0.2
81.03348	0.4
83.01281	0.2
83.04914	0.2
83.34460	0.1
85.02859	0.5
87.00774	0.2
89.02351	0.5
93.03362	1.0
95.01314	0.3
95.04946	0.8
96.95904	0.3
97.02847	0.2
101.02357	0.6
101.66124	0.1
107.04928	0.3
108.02104	0.6
109.02869	1.3
111.04458	0.3
113.02350	0.3
115.00243	0.4
116.92747	0.2
119.03511	0.2
119.04934	0.5
121.02880	0.6
122.03680	0.7
123.04442	70.2
123.08056	4.0
124.04782	2.0
124.08397	0.3
125.09714	0.2
133.01376	0.7
133.02908	0.5
134.01723	0.2
135.04443	1.0
137.02380	0.7
145.02908	0.3
151.00342	0.2
151.04019	0.4
152.01100	0.5
153.01924	1.4
153.05519	100.0
154.05862	4.6
154.07040	0.1
155.03436	0.5
161.02390	1.4
161.09647	0.3
163.03961	1.1
173.04553	1.3
179.03459	1.1
189.09193	0.8
191.05565	1.6
191.07141	2.6
192.05922	0.2
192.07539	0.2
193.05115	0.2
195.06564	0.8
199.09784	0.2
201.11354	0.2
205.08676	2.0
206.09077	0.3
209.11951	0.2
219.13948	0.5
221.08234	0.3
243.02995	0.2
245.11856	0.2
263.12900	0.2
285.18619	0.2
297.09769	0.4
299.02127	0.5
303.19794	0.5
315.10938	9.6
316.11371	0.8
316.37766	0.2
329.17654	23.2
330.17993	3.5
331.18307	0.4
335.22266	0.2
337.09558	0.2
347.18707	8.5
348.19031	1.1
349.19641	0.2
353.08835	0.4
380.04608	0.3
438.50504	0.2
453.07654	0.2
484.18332	0.3
499.12485	1.8
500.12848	0.2
580.20898	0.2
616.29419	0.2
645.25702	1.3
646.28052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64102	0.3
55.01763	0.7
57.03331	1.2
58.00478	0.4
59.01262	11.8
61.98711	0.4
69.99825	1.3
70.00232	0.6
70.12376	0.4
71.00899	0.6
71.01272	8.4
72.99203	1.1
73.02831	2.2
75.00759	7.6
76.01090	0.3
83.01269	1.2
85.02843	7.6
87.00777	1.9
89.02343	5.5
92.26225	0.3
95.01286	1.1
96.95906	0.6
97.02876	0.3
97.24223	0.3
98.20475	0.3
99.00782	4.7
101.02345	4.3
110.53661	0.3
112.01547	0.3
113.02357	8.9
115.00282	0.3
117.01815	0.6
117.03374	1.4
119.03412	0.8
125.02364	0.6
129.01846	0.3
131.03427	0.6
132.02084	1.5
133.02881	28.7
134.03557	0.9
135.04449	14.3
136.04793	0.6
137.02391	0.9
143.03343	0.3
149.04529	0.7
161.02388	100.0
162.02733	4.6
171.02397	0.3
173.04553	0.5
175.02461	0.4
179.03448	8.2
179.47316	0.3
191.05585	1.3
250.07217	0.3
397.20505	0.5
439.32175	0.4
601.28528	40.6
602.28668	4.8
609.25641	59.7
610.26007	9.4
645.29742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72629	0.2
59.01030	0.2
59.01269	2.0
61.98716	0.9
71.01276	0.6
71.04914	0.2
78.95804	0.4
81.03352	0.6
85.02840	0.3
86.20583	0.2
88.98694	0.5
89.02314	0.3
91.01788	0.6
93.03354	1.0
95.04903	0.3
97.02880	0.2
97.06493	0.6
108.02076	3.3
109.02866	62.5
110.03205	1.6
113.02356	0.2
119.04976	0.5
123.04446	13.3
123.08073	0.6
124.04787	0.4
133.01353	0.2
133.02864	0.3
135.04416	0.3
137.02382	11.3
138.02696	0.3
139.38632	0.2
151.03949	0.3
152.01103	1.0
153.01886	100.0
153.05496	18.5
154.02240	3.1
154.05859	0.7
154.07265	0.2
163.03952	0.3
173.04532	0.4
177.05563	0.2
179.03453	0.8
187.11246	0.4
191.05582	1.8
191.07162	0.4
194.05830	0.5
205.08698	0.7
209.08209	0.5
217.15941	1.0
220.18846	0.2
227.09306	0.5
261.15027	1.7
297.06387	0.2
297.09610	0.2
299.07883	0.6
303.19904	0.2
315.07288	2.5
315.10983	3.3
329.17651	3.4
330.18066	0.2
331.19257	0.6
334.72299	0.2
347.18839	0.9
383.09637	0.9
392.69186	0.2
523.21826	0.2
645.25653	4.9
646.26227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.8
61.98705	0.9
69.03337	0.2
69.43862	0.9
69.44285	0.7
71.01267	0.7
71.04928	0.3
75.38178	0.2
78.95834	0.2
81.03355	0.4
83.04893	0.3
85.02853	0.7
86.84302	0.2
87.00761	0.2
88.98710	0.6
91.01783	0.3
93.03358	0.9
95.04950	0.3
97.02859	0.2
97.06504	0.5
101.02354	0.4
106.61266	0.2
107.05004	0.2
108.02071	3.4
109.02863	65.8
110.03188	1.6
119.04928	0.2
122.03658	0.3
123.04440	14.3
123.08080	0.7
124.04773	0.7
135.04401	0.3
136.01569	0.4
137.02379	12.3
138.02698	0.4
151.04010	0.4
152.01131	1.1
153.01881	100.0
153.05490	21.3
154.02226	3.3
154.05865	0.8
156.50754	0.2
163.03854	0.2
173.04518	0.3
179.03493	0.7
187.11282	0.4
191.05553	2.0
191.07085	0.4
194.05806	0.6
205.08655	0.4
209.08223	0.5
209.11903	0.3
213.15138	0.2
217.15927	0.9
227.09276	0.4
261.15076	1.6
297.06390	0.4
299.07837	0.8
311.16669	0.4
315.07312	3.0
315.11008	3.2
316.11163	0.3
329.17654	3.7
330.18124	0.2
331.19229	0.7
347.18594	1.1
348.19098	0.2
351.86426	0.2
383.10150	0.6
467.76843	0.2
473.56918	0.2
645.25537	4.2
646.26501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03388	0.3
59.01265	2.1
65.03853	7.5
67.01778	3.4
69.03351	0.6
69.65086	0.8
69.65495	2.2
71.01273	2.5
71.04906	3.7
73.02839	1.1
78.91789	0.5
81.03364	0.5
83.01268	0.4
85.02837	1.7
88.77980	0.4
91.01793	1.1
93.03331	0.4
94.55039	0.3
96.95896	0.6
97.02870	0.5
101.02347	1.4
101.67968	0.3
108.02042	0.5
109.02863	92.6
110.03185	2.4
113.02368	1.3
121.06515	0.6
122.40450	0.3
123.00789	0.4
123.08073	9.1
123.08930	0.7
133.02849	1.3
133.10231	0.6
135.00807	10.3
135.04457	0.8
137.02351	0.6
150.39737	0.4
151.03983	1.5
153.01878	100.0
154.02213	3.8
157.27850	0.4
161.02390	4.1
161.04482	0.8
161.09650	0.5
189.09180	1.3
191.05556	0.7
191.07097	6.0
205.08699	6.3
219.13791	0.9
221.08136	0.6
231.14026	0.5
245.11951	0.8
263.13113	0.4
285.18637	0.5
297.06134	0.5
303.19800	0.7
313.09174	0.4
315.07446	2.3
329.17682	16.5
330.18036	1.7
347.18698	7.4
348.19095	0.7
425.14603	3.2
449.30682	0.4
548.00116	0.4
554.64087	0.4
601.26752	1.4
609.25995	0.9
645.25677	50.5
646.26013	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	645.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.3
61.98713	1.6
68.14653	0.5
69.03342	0.6
71.01263	2.3
71.56113	1.0
71.56483	0.6
76.86330	0.6
85.02843	1.3
89.02302	0.9
93.03366	1.0
96.95929	1.7
99.00835	0.6
101.02322	0.6
101.48150	0.5
105.89888	0.6
113.02345	0.7
121.02964	0.7
123.00829	0.7
124.01581	1.8
125.02369	20.7
132.02097	1.8
133.02881	34.2
134.03226	0.9
135.04456	13.7
136.04828	0.8
137.02385	2.1
149.06079	0.6
149.99516	2.2
161.02388	100.0
162.02759	4.0
167.03394	0.9
168.00597	4.9
169.01373	29.1
170.01747	0.9
179.03459	8.7
191.05579	4.5
203.03584	1.2
205.08606	0.8
235.16957	0.6
271.02600	0.6
299.02121	0.8
319.91229	0.6
331.06711	0.6
357.18683	0.6
441.14114	1.9
453.23251	0.7
468.01526	0.7
559.25751	1.8
601.26709	65.9
602.27081	12.3
645.25342	10.9
646.26294	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75780	0.1
57.03310	0.2
57.95431	0.1
59.01268	1.6
59.23048	0.1
60.63001	0.1
60.87962	0.1
61.98721	0.4
65.03873	0.2
67.01798	0.2
69.86367	0.3
69.86777	0.5
71.01273	1.0
71.04893	0.2
72.99206	0.2
73.02837	0.3
73.76309	0.1
76.57273	0.1
76.86252	0.1
78.95795	0.2
81.03364	0.7
85.02865	0.5
87.00787	0.3
89.02338	1.0
91.01789	0.4
93.03371	1.1
94.13291	0.1
95.01238	0.2
96.95922	0.4
97.02875	0.2
98.20486	0.1
99.00823	0.1
101.02358	0.6
106.06572	0.1
108.02079	2.9
109.02869	71.2
110.03206	2.0
111.04436	0.2
113.02356	0.4
119.03441	0.2
119.04954	0.5
123.04440	0.2
123.08086	0.5
125.02287	0.2
127.07488	0.2
131.04993	0.1
133.02904	0.2
134.03616	0.2
135.04462	0.6
137.02394	0.5
143.03427	0.2
145.02907	0.4
148.57460	0.2
149.04352	0.1
151.03960	0.2
152.01105	1.0
153.01888	100.0
154.02225	3.3
155.03458	0.1
161.02406	0.2
163.03941	0.4
173.04544	0.8
177.01912	0.2
179.03503	0.3
187.07646	0.3
191.05580	1.8
191.07112	0.3
192.05962	0.2
193.05124	0.2
205.08727	0.3
241.38545	0.1
257.08273	0.3
261.63071	0.1
297.06183	0.4
305.14648	0.2
315.07324	3.8
329.17700	2.2
330.18201	0.2
347.18674	0.6
355.09592	0.2
387.16638	0.2
412.79584	0.1
425.14655	0.5
447.22736	0.2
452.21484	0.2
543.26892	0.2
601.22668	0.2
609.27899	1.4
610.28247	0.2
627.21576	0.1
645.25500	5.4
645.36462	0.3
646.25739	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	645.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01265	6.1
61.98722	0.7
71.01276	4.7
72.99210	0.5
73.02839	1.3
82.63049	0.3
83.01300	0.4
83.19259	0.2
85.02832	1.4
87.00765	0.5
89.02343	4.5
89.02843	0.5
93.03362	1.4
95.01251	0.4
96.95927	0.8
99.00793	1.1
101.02352	2.8
105.03351	0.4
109.02859	0.8
113.02364	1.6
117.03385	1.2
119.03426	1.2
123.04435	0.5
125.02332	0.4
131.03419	0.3
132.02106	1.4
133.02882	27.8
134.03592	1.3
135.03419	0.7
135.04451	12.8
136.04807	0.6
137.02379	2.6
148.05145	0.4
149.04501	0.6
153.01898	2.4
161.02393	100.0
162.02739	4.9
163.03934	0.4
173.04520	0.7
179.03461	7.0
191.05643	1.4
231.10239	0.4
293.36108	0.3
345.20816	0.5
548.19476	0.3
601.26837	4.7
602.27124	0.7
609.25623	62.5
610.26019	11.2
623.21594	0.3
645.24158	0.5
645.33234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	5.7
70.24081	0.3
70.51313	0.5
70.51712	0.8
71.01273	5.0
72.99168	0.4
73.02844	1.5
83.05006	0.3
85.02838	1.2
89.02336	5.3
89.03865	0.3
93.03346	1.7
95.93226	0.2
99.00769	1.8
101.02345	2.9
105.03363	0.6
107.04889	0.3
113.02322	1.7
117.03380	1.8
119.03429	0.9
119.33022	0.3
123.04462	0.6
125.02359	0.3
132.02087	1.2
133.02881	28.3
134.03619	1.6
135.04448	27.3
136.04787	0.9
137.02371	2.1
149.04539	0.6
155.32036	0.3
161.02388	100.0
162.02730	4.5
163.13155	0.3
167.79160	0.3
178.02647	0.4
179.03459	15.5
180.03824	0.6
191.05554	0.8
194.71642	0.3
345.20749	0.5
601.26935	3.0
602.27454	0.3
609.25629	80.6
610.25983	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	645.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41676	0.4
51.29470	0.3
56.46410	0.4
59.01266	32.4
61.98717	0.4
65.03812	0.4
68.99722	0.4
69.03362	0.7
69.59422	1.0
69.59843	1.8
71.01270	3.9
71.04925	0.5
72.99207	0.4
73.02847	1.4
78.95775	0.4
81.03349	1.0
83.01273	0.7
85.02834	2.8
87.00793	0.9
89.02357	1.7
91.01784	0.6
93.03362	7.6
95.01302	1.7
96.95924	1.3
97.02859	0.8
98.19567	0.3
99.00799	0.8
101.02365	1.9
108.01477	0.5
108.02081	41.1
109.02874	49.8
110.03197	1.9
111.00799	0.5
111.04433	0.6
113.02380	1.5
116.92834	0.4
119.03430	0.9
119.04916	2.0
121.02881	3.6
123.00815	1.5
123.04449	1.9
123.08083	1.4
125.02384	0.8
127.07572	1.7
133.02867	1.4
134.03661	0.5
135.00829	2.1
135.04497	2.1
137.02367	8.2
141.41939	0.4
145.02846	0.6
149.02377	7.1
150.03133	1.4
151.03986	1.9
151.07579	0.7
152.01099	52.8
153.01886	52.8
154.02261	1.9
155.10782	0.5
161.02386	0.6
161.04509	1.2
161.09694	0.7
163.03976	2.3
164.04744	14.6
165.01903	5.1
167.03400	0.7
173.04529	2.5
175.03990	0.5
176.01114	0.9
177.01912	1.0
179.03496	1.5
179.07106	29.8
180.07408	1.2
181.01384	1.0
182.02112	1.7
187.07587	0.6
191.05598	6.1
191.07161	1.0
195.02922	2.3
195.06631	1.9
201.11108	0.4
205.08691	1.1
209.11789	0.4
211.07617	0.4
213.14920	4.1
225.03883	0.5
227.09262	14.5
228.09520	0.7
237.04057	1.0
244.11775	0.4
267.11514	0.7
268.89801	0.4
283.09918	0.5
297.06146	2.7
311.09195	0.7
315.07315	11.9
316.07660	0.9
325.07529	0.4
329.17691	1.5
356.07733	0.9
425.14621	45.2
426.14996	4.3
445.95734	0.4
461.53888	0.4
475.38745	0.4
627.20544	0.4
645.25708	100.0
646.26038	18.3
646.35388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27005	0.7
59.01263	27.7
65.03850	1.3
69.03342	16.9
70.93941	2.2
71.01268	3.1
72.99193	0.9
81.03347	2.3
83.01272	6.3
83.04897	1.5
85.02828	3.0
87.00758	5.2
91.01775	1.3
93.03357	9.1
95.01252	1.0
95.04920	3.2
96.95895	1.5
96.99185	1.1
97.02848	12.7
99.00814	0.7
99.20235	0.8
104.25375	0.7
108.02082	1.4
109.02859	2.8
111.00069	1.4
111.00791	17.9
111.04415	1.9
113.02377	1.1
115.00273	3.3
117.03448	1.1
119.04934	1.7
121.02921	1.7
123.04467	4.0
129.01865	1.2
131.04961	1.1
132.02112	0.9
133.02878	1.6
141.01848	10.1
143.04961	5.6
145.02884	3.1
146.03719	3.5
147.04358	1.1
152.01109	1.1
153.01854	1.1
157.05014	2.6
158.03671	3.1
159.04489	6.9
161.35625	0.7
163.03975	2.5
165.69572	0.8
171.04460	1.4
173.04631	1.7
173.06041	1.8
183.02853	0.9
187.03912	1.0
191.05551	7.5
201.04028	48.2
202.04436	1.0
214.05392	0.7
219.05080	3.6
225.05524	1.0
226.06346	23.6
227.06630	1.2
238.06276	1.6
241.08736	26.9
242.09056	1.9
243.05145	6.7
250.06453	1.0
251.07170	18.5
252.07854	7.1
253.08774	4.2
254.09467	2.7
261.06201	100.0
262.06555	5.1
263.07114	1.1
265.08737	0.8
267.10272	3.5
279.06696	7.5
280.07449	13.7
281.07935	1.2
283.09842	0.9
295.09781	15.2
296.10071	1.0
324.06482	1.7
337.09927	0.8
339.08823	17.2
340.09204	2.1
357.09854	10.3
359.06378	3.7
538.77985	0.9
557.17041	1.8
601.15869	7.4
602.15973	1.2
604.98938	0.8
645.19714	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22008	0.3
55.01784	1.1
55.90053	0.2
57.03349	1.5
58.00484	0.5
59.01265	66.4
60.01596	1.0
69.03338	0.7
70.19984	0.2
71.01269	30.4
71.56859	0.5
72.01633	0.4
72.02045	0.5
72.99190	1.8
73.02836	9.4
74.03168	0.3
75.00762	1.1
78.95794	14.6
83.01279	4.3
85.02843	9.5
85.99986	0.7
86.03189	0.4
87.00772	14.2
87.04397	0.7
89.02335	11.7
91.05423	2.9
93.03381	0.8
95.01279	1.8
96.95910	1.0
96.96861	10.7
97.02851	1.0
99.00784	2.4
99.04438	0.5
101.02345	19.2
102.02695	0.5
109.02848	0.4
111.00800	0.8
113.02352	10.2
115.00333	0.3
116.92742	0.3
117.03400	0.5
119.03425	3.7
119.04932	1.7
121.02840	0.4
125.02390	0.9
129.01860	1.1
131.03404	0.6
131.04942	0.5
133.01381	0.4
133.02913	0.7
133.06541	0.4
134.03622	0.6
135.04448	1.5
136.01610	0.4
137.02339	0.4
139.00269	0.3
141.01865	0.8
143.03413	2.9
145.02902	0.8
145.06537	3.3
147.04584	0.3
147.08070	1.5
149.04524	0.5
150.03177	0.4
151.03954	0.4
157.06549	0.5
159.02937	0.9
159.04312	0.3
160.01585	0.4
161.02368	1.2
161.04497	2.8
161.06009	1.9
162.02676	0.3
162.06380	0.3
163.03944	0.8
163.07591	33.7
164.07959	2.0
173.04440	0.8
173.06039	1.1
175.07597	0.5
177.01852	0.4
177.90581	0.3
179.03491	0.6
179.05577	0.3
185.05991	0.3
187.07625	1.7
189.05472	0.3
191.05537	1.5
193.01439	0.4
201.04010	0.3
203.07146	0.6
205.08682	0.9
207.04369	0.6
217.08684	0.5
233.06787	0.8
233.09512	13.8
234.09970	0.7
235.09758	4.1
240.63649	0.3
247.09830	1.1
249.09239	0.3
258.52933	0.3
276.10175	1.4
277.10931	0.4
307.11920	27.6
308.12259	2.3
325.12976	32.1
326.13315	3.2
339.04532	0.4
367.14029	100.0
368.14340	11.3
456.03860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94144	1.5
57.03326	1.5
59.01265	31.6
68.98573	1.5
69.03340	4.8
70.15446	2.7
70.15845	5.1
71.01279	1.7
80.50647	1.6
81.03346	2.4
83.01267	2.7
85.02837	6.4
87.00773	14.6
93.03355	8.9
95.04877	2.6
97.02849	5.2
98.20438	2.4
108.02055	4.3
109.02868	3.7
111.00790	7.3
111.04423	2.1
117.03372	20.9
119.04948	86.9
120.05268	4.9
120.55836	1.6
121.02898	2.1
127.03986	1.9
129.01859	5.2
132.02095	8.4
133.02800	3.1
134.03674	32.8
135.04471	3.5
137.02367	4.2
139.03909	2.3
140.77142	2.0
141.01854	5.1
145.02892	85.1
146.03217	3.9
147.84064	1.5
149.06010	5.5
153.01825	2.7
158.01683	1.6
160.01610	38.7
162.03302	1.9
163.03966	61.7
164.04286	4.1
173.04552	4.0
173.06007	2.3
175.03967	67.2
176.04369	2.2
178.02667	8.9
180.68060	1.4
183.02966	8.4
184.40561	1.6
191.05595	91.4
192.05956	5.8
193.05020	30.8
194.05408	2.6
201.04027	49.8
202.04379	3.4
209.06194	1.9
210.06863	12.5
219.05060	5.8
226.06308	2.3
238.06392	44.1
239.06883	5.7
241.08740	4.7
243.05133	16.1
253.08743	100.0
254.09444	21.8
261.06229	30.4
267.10287	13.6
269.11893	9.7
283.09842	2.1
284.29773	1.7
291.17569	1.7
295.09857	4.3
313.10828	7.5
337.09323	23.0
347.07779	5.9
357.09811	9.0
375.41992	1.9
377.08932	5.9
407.04520	2.4
407.09903	42.5
408.10284	4.6
437.10965	62.6
438.11273	7.7
497.14560	7.7
498.15332	3.8
515.15686	4.6
557.16681	14.0
558.16754	3.1
601.15887	9.5
602.16113	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	643.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31114	1.3
59.01269	100.0
60.01603	1.7
61.98712	2.4
71.01300	2.1
71.61690	1.9
77.78284	1.3
78.95802	1.9
83.04915	2.7
85.02856	1.4
87.00761	1.8
93.03359	3.7
97.02874	1.8
99.04428	31.8
99.28251	1.2
101.02379	1.5
110.00007	4.4
119.04964	1.6
123.08115	1.6
125.02370	3.7
135.04494	2.0
137.99513	4.5
153.01889	50.1
161.02376	1.7
163.11205	1.8
166.57098	1.4
168.04243	29.7
171.17494	1.4
173.02354	1.3
173.04506	3.3
189.09171	3.2
191.05621	9.8
197.42172	1.5
211.13440	1.6
277.21786	1.8
313.18002	2.6
315.19733	9.0
319.23230	1.8
320.23123	2.1
321.23486	2.5
333.20825	15.2
334.21063	2.0
415.25015	85.0
416.25491	13.5
494.61777	1.8
496.43054	1.4
511.16104	2.8
539.30304	2.4
551.26801	4.6
565.28204	1.7
643.20593	23.9
644.21008	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	643.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
61.98715	7.3
71.57560	4.8
85.02861	7.5
87.12230	2.9
92.20756	3.0
99.04416	59.2
110.00022	3.7
125.02349	5.0
137.99553	3.9
151.11287	3.4
153.01892	47.5
161.02414	3.8
168.04240	28.3
174.99228	9.5
191.05576	5.7
196.51634	3.5
201.00829	6.9
217.00278	11.7
223.03372	2.9
272.11569	3.1
315.19809	4.4
333.20691	18.9
376.84277	3.4
415.25015	97.6
416.25250	10.6
501.22116	8.1
551.26489	6.0
561.24298	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08812	0.7
55.36110	0.7
59.01266	32.4
60.25210	0.7
62.57705	0.7
65.00207	2.9
65.03832	1.3
66.69981	0.7
67.01772	1.6
69.03343	11.4
71.01273	6.0
71.01596	1.0
71.56516	1.2
72.99194	1.3
75.00744	1.1
77.03818	0.8
78.95772	1.5
81.03339	2.2
83.01266	5.2
83.04928	2.0
85.02861	4.2
87.00765	8.0
91.01810	7.4
93.03368	10.3
95.01316	0.9
95.04922	2.4
96.95903	2.0
96.96855	1.6
96.99223	1.3
97.02851	12.9
99.00697	1.0
99.04415	1.0
102.35665	1.1
108.02098	3.9
109.02869	3.6
111.00797	15.4
111.04424	2.4
113.02316	1.4
115.00291	8.2
117.03395	1.6
119.04953	6.3
121.02854	1.9
123.00801	1.0
123.04430	12.3
124.01555	1.7
129.01840	2.2
131.04941	1.5
133.02879	2.0
134.03717	5.6
135.04420	1.8
137.02406	1.4
139.03946	1.2
141.01877	9.1
142.02238	0.8
143.04973	29.5
144.05315	2.0
145.02849	4.7
146.03705	4.0
148.69844	0.8
149.02403	1.0
149.06053	1.1
150.03096	0.9
152.01093	2.1
153.01842	1.0
155.03481	0.8
157.05048	1.5
158.03667	3.5
159.04500	5.0
160.01633	2.8
161.06090	1.5
163.04021	4.6
171.04483	1.3
173.04509	3.2
173.05992	2.2
174.03177	1.2
175.03938	3.2
177.01974	1.0
178.02760	1.1
183.02924	1.3
187.03967	2.1
191.05582	14.2
191.07266	0.6
193.05040	2.5
201.04036	55.3
202.04384	2.9
219.05127	5.5
225.05434	1.3
226.06360	18.5
235.07779	1.8
237.05414	1.1
238.06316	1.9
241.08716	15.6
243.05099	6.2
250.06448	1.6
251.07179	21.3
252.07867	12.0
253.08589	3.5
254.09505	1.9
261.06210	100.0
262.06580	5.4
265.08734	3.5
267.10434	4.1
279.06644	8.2
280.07462	18.6
281.07773	1.9
283.09903	1.0
295.09836	17.9
309.07803	1.1
309.52335	0.9
324.06287	1.9
327.08780	1.0
339.08771	15.5
340.09180	1.6
353.12527	1.8
357.09897	21.1
358.10245	1.7
359.06259	6.3
437.11127	1.5
557.16949	1.5
601.15765	11.2
602.15820	1.2
645.20703	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.6
61.98708	0.3
67.01778	0.2
69.35985	1.1
71.01274	0.3
75.00753	0.2
78.95796	0.2
79.95701	0.1
80.02576	0.4
80.96397	0.2
81.03343	0.3
83.24236	0.1
85.02861	0.2
87.00771	0.2
93.03355	0.4
96.95921	0.8
97.02834	0.2
98.20541	0.3
101.02368	0.2
108.02079	26.1
109.02409	0.6
111.04461	0.2
118.04633	0.1
121.02779	0.2
122.03683	0.3
123.04441	11.0
124.01573	0.1
124.04778	0.6
133.02867	0.5
135.04410	0.4
151.07578	0.2
152.01093	54.5
153.01401	1.7
161.02423	0.9
167.03448	100.0
168.03780	3.2
171.10268	0.3
173.04610	0.2
175.04053	0.2
179.03445	0.3
189.12825	2.8
190.13226	0.3
191.05577	1.1
191.07144	0.6
197.11771	0.3
199.13425	0.3
205.08676	2.0
207.10220	0.5
209.11827	0.3
247.06078	0.2
269.19095	0.4
313.18170	18.3
314.18417	1.8
329.08780	0.4
331.19232	0.4
332.19177	0.2
436.35266	0.1
471.15872	0.3
493.27679	0.1
599.25488	0.2
643.27789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22180	0.4
55.01775	0.5
57.03339	0.7
57.68830	0.3
59.01266	4.1
61.98721	1.0
65.03812	0.3
69.03329	0.8
69.68467	0.7
69.68871	2.1
70.88997	0.3
71.01269	9.1
71.04530	0.7
71.04911	11.2
72.58525	0.4
72.99194	0.4
73.02837	3.2
73.29194	0.3
75.71366	0.3
76.55348	0.3
82.39239	0.3
83.01270	0.9
83.04906	0.6
85.02846	4.4
86.03215	0.3
87.00769	0.7
89.02342	0.7
93.03365	1.4
95.01292	1.2
95.04967	0.5
95.23158	0.4
96.95911	1.4
97.02824	1.8
98.19878	0.5
99.00786	1.0
101.02344	4.4
106.04147	0.8
107.04938	25.0
108.02049	0.4
108.05280	1.0
109.02868	1.5
111.04428	1.0
113.02355	3.9
116.23185	0.4
119.04922	0.4
121.02893	0.7
121.06516	1.1
123.04470	1.0
123.08080	28.9
124.08434	0.9
125.02454	0.4
125.09673	0.6
127.07603	0.7
131.03447	0.5
133.10182	0.6
134.03630	1.0
135.04437	0.8
136.05234	0.5
137.02390	1.1
138.03185	0.4
143.03433	0.5
147.08090	0.7
149.06017	0.6
151.03951	19.1
152.04291	0.6
159.02953	0.9
161.02367	0.9
161.04506	4.4
161.09673	1.8
163.11220	0.6
165.01897	2.9
173.04482	0.9
173.09805	0.3
175.03821	0.3
177.09171	0.5
177.12823	1.0
179.03436	0.7
180.04225	2.1
184.28496	0.3
186.10379	0.4
189.09200	4.4
191.05566	2.2
191.07101	21.1
192.07497	1.0
193.04936	1.1
195.06606	2.6
201.12820	0.4
205.08687	16.6
206.09183	1.3
207.10280	0.8
210.05040	0.5
213.14873	0.5
216.48752	0.4
217.16055	0.4
219.13931	2.6
221.08185	2.4
225.07658	2.5
231.13907	2.0
243.17711	0.4
245.11832	4.0
255.03023	0.5
257.11877	0.7
259.20590	0.8
263.12979	1.1
275.12988	0.8
285.18762	2.5
286.19016	0.4
303.19696	2.8
310.99802	0.4
313.09277	0.5
315.05176	0.6
329.17654	100.0
330.14365	0.7
330.18018	8.3
347.18716	41.2
348.19016	3.7
365.96973	0.4
371.19061	0.5
437.23462	0.8
437.68643	0.7
438.18234	0.4
455.24442	0.7
481.28003	0.6
481.35364	1.3
504.41193	0.4
642.76227	0.7
643.27350	3.0
644.28564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.0
57.03331	2.6
57.39727	0.6
58.31182	0.7
59.01263	21.0
61.98721	1.0
67.01773	1.2
68.99715	1.0
71.01268	20.2
72.99212	4.2
73.02834	3.4
75.00760	19.7
78.95777	1.3
83.01276	2.2
85.02837	22.6
87.00768	7.9
89.02325	3.9
93.03349	4.9
95.01296	3.2
96.95902	1.0
98.19801	2.4
99.00766	7.7
101.02343	4.7
113.02351	22.4
115.00297	1.9
117.01879	1.3
117.03294	0.9
129.01871	1.4
131.03371	0.8
131.56369	0.7
133.02879	2.8
134.03658	4.7
135.04442	2.3
137.02321	0.9
152.99556	1.0
160.01587	0.9
161.02362	4.6
161.78050	0.7
173.04552	4.1
175.02409	1.6
179.03470	1.5
187.11012	0.7
191.05536	6.5
192.05992	0.9
193.05031	3.8
197.11815	1.4
241.01123	1.4
311.34232	0.7
367.10278	1.4
543.15472	2.3
599.27197	100.0
600.27545	15.6
607.23846	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.1
61.62314	0.1
61.62677	0.1
71.01271	0.2
73.02827	0.1
77.86507	0.1
78.95794	1.4
83.04922	0.2
85.02879	0.2
91.05426	4.8
92.05753	0.1
93.03350	0.4
96.95928	0.3
96.96850	0.7
101.03835	0.1
109.02868	0.1
117.03368	1.3
119.04942	1.8
124.01647	0.1
133.02812	0.3
133.06540	0.6
134.03621	0.2
135.04457	1.3
137.02399	0.1
145.02986	0.1
146.03690	0.2
151.00357	0.1
161.06023	100.0
162.06367	4.8
163.03992	0.2
164.82742	0.1
168.00531	0.1
173.04517	0.3
175.03857	0.1
178.99947	0.1
179.03438	0.5
191.05544	1.3
193.05115	0.2
229.22719	0.1
233.09427	0.9
243.05183	0.2
353.08612	0.2
441.31332	0.1
599.14673	0.3
642.41833	0.2
643.22906	0.2
644.23242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
57.03339	0.5
59.01263	3.2
61.98720	1.8
69.03346	0.6
69.84184	0.3
71.01271	2.7
71.55803	0.3
72.99194	1.3
73.02840	0.9
83.01276	0.7
85.02834	2.6
87.00759	0.6
89.02333	0.7
93.03369	0.5
95.01289	0.9
96.95891	0.4
97.02829	0.7
98.38258	0.3
99.00781	0.9
101.02333	1.4
108.02076	53.7
109.02886	9.8
113.02356	2.2
119.04974	0.4
121.02881	1.2
122.03679	0.4
123.00808	0.7
123.04376	0.5
125.02328	0.5
133.02882	0.8
134.03661	1.0
135.04437	2.0
136.05212	0.9
137.02379	0.8
137.06010	0.4
143.03568	0.3
145.02885	0.5
147.04419	0.5
149.06100	0.3
151.00316	0.4
151.03929	1.1
152.01089	100.0
153.01770	5.0
161.02391	2.1
161.04503	1.2
162.02911	0.4
163.03947	4.1
164.04425	0.3
165.01898	1.3
165.05478	0.3
165.09131	0.6
166.02551	0.4
173.04616	0.4
175.03960	0.6
177.01886	1.2
179.03452	1.6
180.04182	0.7
183.13852	4.0
191.05586	1.0
193.05132	0.4
195.06625	1.2
195.13879	3.5
207.02989	1.0
213.14970	11.7
214.15364	0.7
217.05092	0.3
225.07716	0.5
297.06271	0.9
299.02023	0.3
315.07324	0.9
319.08444	0.3
331.18863	0.3
333.20587	0.5
417.15619	0.3
429.10480	8.6
430.10773	0.7
443.41614	0.3
447.11627	2.2
477.24789	0.7
481.32135	1.4
505.63174	0.3
524.95715	0.3
536.22308	0.6
537.27069	0.6
587.98236	0.3
595.22211	0.3
643.26233	82.9
644.26526	13.7
644.36395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86903	0.2
57.03331	0.6
59.00988	0.4
59.01264	3.7
61.98709	0.7
69.03346	1.0
69.31152	1.5
69.31590	1.3
71.01274	2.7
72.01587	0.3
72.99197	1.4
73.02829	0.8
78.95788	0.3
81.03359	0.6
83.01286	0.9
85.02845	3.3
87.00768	0.8
89.02343	0.7
93.03361	48.4
93.09731	0.3
94.03692	1.0
95.01302	1.4
96.95919	2.5
97.02843	1.2
99.00775	0.9
99.04389	0.3
101.02341	1.2
108.02083	51.0
109.02906	9.3
110.03218	0.5
111.00758	0.5
111.04443	0.3
113.02374	2.1
117.03378	0.3
119.04972	0.7
121.02875	2.1
123.00796	0.9
123.04443	0.7
124.52111	0.2
125.02349	0.8
129.01939	0.3
132.02080	0.4
133.02873	1.1
134.03664	4.0
135.04474	2.0
136.01576	0.4
137.02402	1.0
141.01813	0.3
145.02888	0.6
147.04503	1.2
149.02397	0.6
149.06003	0.6
151.03922	1.1
152.01097	100.0
153.01724	5.3
154.02147	0.3
155.10732	0.4
159.04454	0.4
160.01599	1.1
161.02443	1.2
162.03069	0.3
163.03967	4.6
164.04364	0.3
169.06557	7.1
170.06848	0.3
173.04613	1.4
173.05821	0.3
175.03920	1.6
177.01895	1.4
179.03488	2.3
181.05063	0.4
183.13852	0.7
184.14214	0.5
187.07607	0.3
191.05594	5.3
192.00572	0.7
192.06001	0.3
193.05003	2.3
194.05383	0.3
197.11699	0.5
201.04030	0.4
207.02979	1.9
209.11792	0.6
213.05568	13.4
214.05887	1.2
227.12901	0.5
243.05133	1.7
264.87149	0.2
275.09280	0.4
279.43829	0.2
286.40518	0.3
297.06232	1.0
315.07321	1.0
331.08185	0.3
349.09406	0.6
367.10507	0.3
388.40253	0.2
400.84726	0.3
429.10461	43.0
430.05536	0.3
430.10858	4.2
490.87720	0.3
540.21240	0.3
546.13861	0.3
599.14606	0.5
643.16815	65.6
644.17108	13.7
644.27979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	5.4
69.03353	0.5
71.01283	0.6
78.95789	3.1
83.01241	0.6
87.00751	1.1
89.03860	0.9
93.03345	1.6
95.01296	1.0
95.04980	0.5
96.95908	0.6
96.96856	2.7
97.02835	0.7
99.00793	0.6
105.03396	0.9
107.04963	0.9
109.02868	2.0
111.00761	1.2
111.04405	0.6
115.03770	0.4
117.03376	1.6
119.04914	0.6
121.02885	1.3
122.03719	0.5
123.04401	0.5
129.01868	1.4
131.32483	0.4
132.02103	3.4
132.89177	0.4
133.02881	50.7
134.03694	14.7
135.04446	48.2
136.04779	1.9
137.02367	3.1
139.03923	1.4
147.04373	0.6
148.05266	0.5
149.06050	2.9
151.00340	0.5
152.76917	0.5
155.10724	1.2
157.12741	0.4
159.04446	9.7
160.01582	3.6
161.02386	100.0
162.02748	4.5
163.03992	0.6
175.03961	4.1
176.04691	0.7
177.01955	1.0
177.05594	1.2
178.02704	3.3
179.03456	48.9
180.03773	2.0
183.02969	1.0
191.05553	1.0
191.07109	1.3
193.05052	11.8
199.09773	0.6
201.03882	0.6
201.05569	0.8
203.03494	4.5
215.07146	2.5
221.04524	1.0
233.04631	0.7
233.09479	4.7
235.06212	1.7
239.07111	1.2
243.05141	0.9
257.08289	1.4
259.06226	0.8
265.07382	0.6
287.09305	0.6
300.02756	0.7
301.03845	0.5
301.07294	1.9
305.06689	0.9
359.07816	2.0
363.07446	0.7
377.08646	1.1
395.09784	0.7
410.14694	0.5
423.09314	6.3
424.09622	0.5
437.11026	0.9
467.13724	1.3
495.12952	1.4
539.11969	2.7
557.13177	1.4
565.55524	0.5
599.14160	32.0
600.14465	6.2
643.24048	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	642.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36377	0.4
59.01261	5.8
61.98718	39.2
64.57067	0.3
69.03344	0.7
71.01275	3.1
71.56260	0.7
73.02834	4.5
75.00774	0.9
81.03350	1.2
82.45324	0.3
83.01267	1.7
85.02845	0.5
90.55093	0.3
97.02845	5.1
97.70292	0.3
99.04468	0.4
101.02350	3.2
109.02843	0.4
113.02361	0.7
122.03648	1.8
125.02329	0.6
127.07619	1.7
131.63213	0.4
135.08051	0.5
155.03476	0.4
161.02448	0.4
161.09669	0.8
173.09668	1.0
175.11247	0.4
187.11267	0.7
189.12813	15.6
190.13126	1.1
191.07103	4.1
201.09114	0.5
203.05614	0.9
203.14471	0.6
205.08679	12.4
205.12305	1.2
206.09233	0.7
207.10260	1.2
221.08212	0.5
230.36752	0.4
243.14052	0.7
269.19165	2.3
270.19455	0.4
281.00562	0.4
283.17099	1.4
311.20163	1.0
313.18158	100.0
314.18497	11.5
327.19958	0.5
331.19208	20.6
332.19583	2.1
336.24429	0.4
337.18204	0.5
345.20819	1.5
355.19226	7.0
356.19464	0.9
360.38721	0.4
373.20349	4.0
374.20422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89786	1.2
57.90788	1.4
59.01257	6.0
61.98688	2.4
69.03320	2.0
71.01285	1.3
81.81400	1.2
91.63682	1.3
94.68991	1.3
95.02737	1.3
97.02852	20.7
97.06507	1.7
106.47922	1.5
109.02892	1.8
118.38914	1.4
119.08558	5.2
127.07579	10.6
137.09669	8.5
167.10706	1.6
171.10237	24.4
185.11812	6.5
189.12796	11.5
191.05518	4.3
191.06992	2.9
197.11754	1.5
201.11234	2.0
205.08691	9.7
207.10156	4.5
213.11328	1.9
229.19490	2.4
269.19193	4.5
273.18729	2.2
283.17081	4.2
287.20389	2.2
291.19812	8.1
309.20786	81.5
310.21133	6.3
313.18149	43.8
314.18399	4.0
331.19226	100.0
332.19485	8.7
557.92590	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	641.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.2
58.00482	1.2
59.01254	0.5
61.98719	0.8
69.03317	0.5
70.94830	0.7
71.01308	0.4
73.02848	0.6
78.95817	0.4
82.64845	0.3
83.04915	0.6
97.06511	1.0
111.08018	0.3
113.41006	0.3
123.08095	0.5
125.09637	7.4
127.11210	8.1
128.11542	0.6
129.63322	0.3
133.02957	0.3
137.09676	2.0
139.11214	1.4
143.10692	0.4
153.09174	0.5
153.91629	0.3
155.10730	3.6
157.12279	0.9
165.09175	4.2
171.10228	8.9
183.10269	1.8
191.05580	0.6
195.13902	0.4
199.09694	2.6
201.11301	63.3
202.11609	3.3
209.11913	0.4
211.13368	0.7
244.03065	0.3
275.20218	1.2
282.40823	0.3
293.21292	3.1
294.21539	0.4
311.22327	5.3
312.22690	0.6
329.23407	28.6
330.23734	2.9
623.44806	0.4
641.46460	100.0
642.46802	22.5
654.45410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.6
60.88829	0.9
61.98721	3.1
65.85246	0.7
69.03355	1.2
69.60815	5.5
71.01268	0.9
78.95782	0.8
81.38765	0.7
85.02872	1.7
93.03385	1.1
97.02850	19.0
97.06501	1.1
109.02879	1.7
111.08052	2.4
122.03642	1.0
127.07567	8.0
133.02861	2.4
135.04463	1.8
151.07533	0.8
161.02382	3.4
173.04631	1.1
181.12242	1.2
187.11201	0.8
189.12823	7.8
191.05573	6.1
191.07132	2.7
197.11783	9.4
201.11356	1.1
203.14333	2.2
205.08638	6.7
207.10204	2.4
209.15517	1.6
211.13354	1.7
221.08098	1.0
221.15474	0.9
225.15018	1.1
269.19183	4.8
283.17203	4.5
287.20181	1.2
291.19708	3.5
292.20193	0.9
295.17044	1.1
309.20792	23.4
310.21204	2.3
313.18167	37.4
314.18484	4.3
331.19214	100.0
332.19604	8.5
358.13214	0.9
515.13129	0.8
641.46375	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	641.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20513	0.1
59.01270	0.4
60.05643	0.1
61.87083	0.1
61.98721	0.7
71.01279	0.3
71.04906	1.5
71.05299	0.1
71.56860	0.2
73.02858	0.1
78.95800	0.3
83.01285	0.1
83.04929	0.1
85.02841	0.1
93.03376	0.3
96.95925	0.4
97.02876	0.2
101.02318	0.1
106.80737	0.1
108.02110	0.3
109.02898	0.1
113.02334	0.1
121.02890	0.2
121.06531	0.2
122.03671	0.7
123.08099	2.7
124.08452	0.1
127.07597	0.1
128.32739	0.1
130.04121	0.2
131.04941	0.2
133.02913	0.2
134.03662	0.1
135.04449	0.1
137.02364	0.2
147.04462	1.1
148.05258	1.6
149.06035	100.0
150.06371	4.6
152.99559	0.3
154.02736	0.1
161.02380	0.3
161.09677	0.2
165.05511	0.2
173.04503	0.2
179.03499	0.2
179.05173	0.1
189.09163	0.5
191.05582	0.4
191.07108	1.8
205.08675	1.8
206.09372	0.1
207.10336	0.1
219.13916	0.3
221.08232	0.1
231.13937	0.1
232.94688	0.1
241.01413	0.1
245.11769	0.2
263.13019	0.2
275.13016	0.1
285.18518	0.2
303.19629	0.3
311.11453	6.5
311.46445	0.1
312.11874	0.5
329.17657	12.8
330.17975	1.3
347.18735	6.6
347.22198	0.1
348.18979	0.6
351.75345	0.1
641.29663	0.6
642.29846	0.1
652.77625	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	641.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.7
55.53758	0.4
57.03334	1.3
59.01268	10.0
61.98718	1.7
67.01781	0.4
69.03345	1.6
69.68071	3.1
71.01270	17.8
72.01617	0.6
72.99206	4.3
73.02837	4.9
75.00786	0.5
81.03365	1.1
83.01266	2.2
83.04928	0.5
83.81700	0.4
84.36633	0.4
85.02849	13.9
87.00782	4.1
88.98696	0.4
89.02356	3.0
93.03374	3.0
95.01279	2.3
95.04942	0.7
96.59145	0.4
96.95924	2.4
97.02862	2.7
99.00785	5.8
99.04421	0.5
101.02354	7.7
102.93153	0.4
106.04197	0.4
107.04939	33.3
108.02081	0.5
108.05289	0.9
109.02887	0.9
111.00795	0.7
111.04424	1.1
112.01574	0.5
113.02363	19.6
115.03975	0.6
119.04986	0.8
123.04393	0.8
125.02375	1.7
127.03945	0.8
129.01917	0.4
131.03467	1.1
133.02875	0.8
134.03680	3.4
135.04460	0.9
137.02377	2.7
139.03941	0.8
143.03465	2.5
145.02907	0.7
145.04961	0.7
147.04440	0.6
149.06007	1.2
150.03143	0.4
151.03952	1.7
155.03481	0.7
159.02939	1.0
159.04440	0.4
160.01643	1.4
161.02400	1.0
161.04512	9.2
173.04497	1.9
175.03908	2.2
176.04395	0.5
177.01942	0.5
179.03394	0.7
183.13881	14.7
184.14207	1.0
191.05577	6.1
191.07140	0.7
193.05023	3.5
194.05511	0.6
195.10254	0.6
195.13887	13.3
196.14180	0.8
203.05588	1.3
209.08162	1.2
209.11734	1.0
210.06821	0.8
211.13393	0.6
213.14961	100.0
214.15309	6.6
215.05608	0.7
225.09253	0.6
265.41599	0.4
269.10431	0.8
283.02386	1.0
311.11395	3.2
312.11722	0.5
329.17645	1.5
337.11499	1.0
347.18710	1.2
383.13663	5.0
384.14120	0.5
401.14621	22.3
402.14774	1.7
427.12564	16.3
428.12781	1.7
431.11777	0.6
437.18463	2.2
439.32050	0.6
445.13635	10.5
446.13937	1.5
461.29443	0.4
478.74008	0.5
479.24301	0.5
497.68124	0.5
568.29510	0.5
641.28131	17.2
642.28156	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	641.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	22.0
61.98719	21.2
71.01273	11.2
72.99225	1.7
73.02825	2.5
78.95834	1.9
79.95635	1.6
80.04955	6.9
84.15947	1.4
85.02843	5.9
87.00806	2.5
89.02345	5.4
93.03361	4.7
94.06539	2.4
96.95914	2.6
97.02833	2.2
98.19811	4.9
101.02343	2.4
104.04958	3.9
106.06532	2.0
107.03664	4.0
109.06474	1.7
111.80795	1.5
113.02351	4.4
120.08088	3.0
121.05238	2.6
122.06045	38.1
132.04424	2.1
133.02849	2.3
134.03682	1.9
134.06033	12.1
135.04367	2.8
148.04002	2.2
152.01051	2.0
152.07124	47.0
153.07451	2.3
160.01593	1.7
160.03940	2.8
160.06343	5.8
161.02353	3.7
161.04541	2.7
163.11107	2.1
167.03442	6.4
171.10165	2.1
173.04498	5.5
174.05545	3.6
174.51396	1.5
179.03418	2.2
180.09244	1.4
191.05602	10.8
193.05096	1.9
197.11856	3.1
207.10294	2.9
209.11868	3.2
213.10336	31.4
213.14874	4.8
214.10681	2.3
222.08035	1.5
223.08820	1.8
225.11246	5.2
226.11188	3.4
239.11937	18.6
240.12340	1.6
241.13519	17.4
245.12982	7.3
247.09058	2.0
250.07474	1.8
251.11896	4.2
265.09927	3.3
269.04742	3.6
285.12546	62.7
286.12704	6.8
293.09714	2.0
293.12903	8.0
295.10992	5.9
296.11331	1.8
313.12112	3.8
313.18134	6.9
316.14621	2.9
323.10419	10.3
325.11942	4.5
326.12466	1.7
328.11136	3.3
331.19177	6.0
332.17868	2.3
339.09851	2.4
342.12494	2.2
343.13284	3.1
344.14063	2.2
355.12982	6.5
356.13861	3.8
357.15009	3.6
358.15695	22.8
359.16125	2.6
369.14725	2.0
372.17496	1.8
384.13559	4.7
385.14371	3.8
397.13562	3.8
398.15045	2.7
400.16791	15.1
401.16998	2.9
412.16974	4.1
420.60574	1.6
444.79962	1.7
497.25702	3.6
523.23572	12.1
524.23737	2.6
541.24829	2.0
565.24670	87.6
566.24921	16.5
609.23773	100.0
610.24017	23.3
641.26196	28.2
642.26715	6.9
660.01776	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	641.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
55.49462	0.3
57.03316	0.3
59.01262	2.5
61.98720	0.6
67.01796	0.3
68.41431	0.3
68.67052	0.4
69.03345	0.8
69.64490	2.1
71.01275	3.5
72.99208	1.4
73.02839	1.2
75.42647	0.3
81.03349	0.6
83.01289	0.9
83.04901	0.3
85.02843	3.6
87.00787	1.6
87.01260	0.3
87.48206	0.3
89.02354	1.3
93.03365	4.2
95.01299	1.2
96.95918	1.1
96.96935	0.4
97.02859	0.7
99.00784	1.1
101.02377	0.9
108.02081	55.3
109.02904	9.5
111.04461	0.4
113.02344	2.0
116.92783	2.0
119.04951	0.8
121.02877	1.1
123.00806	0.7
123.04453	0.6
133.02887	1.2
134.03683	2.0
135.04520	1.8
137.02371	2.6
145.02943	0.5
149.02359	0.4
151.00316	0.5
151.04012	0.8
152.01105	100.0
153.01836	4.7
155.10745	1.7
160.01628	0.7
161.02380	0.7
163.03966	4.3
165.05513	1.1
167.14282	0.4
173.04514	0.8
175.04004	0.9
177.01897	1.4
178.02660	0.5
179.03488	1.2
189.05563	0.3
191.05617	4.7
192.05963	0.5
193.05022	0.7
194.05605	0.3
199.09781	0.4
207.03021	1.1
211.07593	0.7
211.13379	1.5
219.02933	0.4
283.02649	0.9
284.03119	0.7
297.06195	0.5
301.03595	0.4
315.07300	0.8
413.11359	0.7
427.14688	0.5
429.10504	10.9
429.16394	0.5
430.10574	0.7
431.11801	0.4
445.15588	0.3
447.11829	0.9
449.12277	0.5
641.24658	82.4
642.24963	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.1
61.98726	1.5
63.02309	0.6
65.00220	1.3
70.47751	1.5
71.01263	1.0
73.02821	0.5
83.01278	1.1
85.02841	0.6
89.02343	0.9
93.03380	1.0
95.01312	0.4
96.95909	5.6
96.96848	0.5
101.02356	1.3
107.01289	4.0
108.02082	1.8
109.02911	0.8
109.88465	0.4
121.02898	1.0
123.04414	1.0
124.01607	0.8
125.02400	1.0
126.18953	0.5
133.02892	4.2
134.03638	1.5
135.04454	4.5
137.02406	0.8
143.04984	0.9
145.02867	1.3
146.03633	0.9
147.00789	0.5
149.02330	0.5
149.99458	0.6
151.00304	13.2
151.03951	0.7
152.01123	3.0
153.01897	0.5
155.04961	0.8
157.02812	0.6
158.03726	0.4
159.04507	0.5
160.01591	1.2
161.02385	14.8
162.02815	0.7
163.00279	1.1
163.03996	0.6
165.01907	0.7
169.01448	0.9
171.04506	1.0
175.03979	1.6
176.04367	0.7
177.01880	1.3
178.99840	4.9
179.03456	3.6
179.07156	0.6
182.03743	0.5
183.04514	2.2
185.02367	0.7
186.03177	1.1
187.03903	0.7
189.01913	1.1
190.99934	0.4
191.03958	0.4
191.05605	3.4
192.00682	0.6
193.01456	2.0
193.05037	1.0
194.05441	1.2
198.03123	0.6
199.03986	7.0
201.01889	0.9
203.03462	1.1
205.01483	1.0
211.03931	0.9
213.01884	0.5
214.02705	2.2
215.03503	1.9
226.02695	0.6
227.03531	5.4
228.03845	0.6
229.05061	0.5
240.99110	0.8
241.01447	10.1
241.05144	0.5
242.02190	5.6
243.03018	12.8
244.03409	1.3
245.00923	6.1
254.02254	0.7
255.03053	10.9
255.05753	0.6
256.03427	1.0
269.04639	0.9
270.01736	18.4
271.02521	38.9
272.02972	3.9
273.00531	0.6
283.02499	0.9
284.03607	0.7
285.04108	1.5
297.04181	1.0
298.01230	9.6
299.02029	100.0
300.02731	34.1
300.05554	0.5
301.03510	17.2
302.03799	1.3
313.03616	5.8
314.04333	3.1
315.05243	0.6
317.03088	1.7
341.03094	2.6
343.04736	0.7
433.07816	0.8
446.06665	0.5
447.11646	0.7
449.08856	1.1
461.07376	77.5
462.07947	20.0
463.08893	6.0
479.09924	11.6
480.10330	1.3
611.13947	2.2
623.14050	1.9
641.15149	15.6
641.24805	7.3
642.15564	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	641.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62966	0.3
52.49113	0.3
59.01283	0.5
63.02292	0.6
65.00223	1.2
69.45978	2.6
83.01300	0.9
93.03368	0.7
96.95925	1.1
101.03893	0.5
107.01299	2.5
116.92807	0.3
119.01296	0.4
119.04964	0.4
121.02865	0.6
123.64776	0.4
125.02379	0.3
133.02959	0.5
135.04472	0.6
139.05515	0.5
143.04980	0.9
145.02925	1.5
147.00800	0.4
147.04445	0.4
151.00301	9.4
152.00916	0.4
155.04984	0.5
155.10783	0.3
157.02896	0.8
158.03685	0.4
159.04514	0.7
161.02388	1.9
163.00388	0.4
163.03947	0.7
164.04643	0.7
169.01366	0.5
169.02786	0.4
171.04451	1.0
173.04591	0.4
175.03978	1.0
178.99846	2.8
179.03400	0.4
182.03627	0.4
183.04448	2.2
185.02414	0.8
186.03178	1.1
187.03972	1.2
189.01973	0.6
191.03967	0.4
191.05460	1.8
192.00807	0.4
193.01382	0.5
193.05064	0.4
198.03215	0.7
199.03995	6.4
200.04501	0.4
201.01918	0.8
202.02840	0.4
203.03523	0.9
211.04015	1.0
213.01913	0.5
214.02733	2.3
215.03539	2.4
217.01393	0.4
227.03506	6.4
231.03044	0.8
241.01466	9.0
241.05104	0.4
242.02196	6.2
243.03026	13.8
244.03369	1.1
245.00978	7.2
255.03041	10.1
256.03513	0.9
269.04645	0.6
270.01752	17.7
271.02533	31.9
272.02963	3.1
273.00537	0.5
273.04202	0.7
282.01675	0.7
283.02457	1.1
285.04074	0.7
295.02249	0.4
297.04199	0.9
298.01233	8.6
299.02042	100.0
300.02646	19.5
301.03549	8.2
302.03894	0.7
313.03619	3.9
314.04233	0.9
315.05115	0.6
341.02951	1.0
401.05209	0.4
417.08258	0.4
433.07904	1.5
446.06732	0.5
449.08862	1.1
461.07379	75.8
462.08008	23.8
463.08798	3.4
479.09940	9.1
480.10281	1.5
611.14331	1.1
623.14197	1.3
641.15308	9.0
641.24603	0.7
642.15778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24310	1.5
55.07317	1.5
57.33339	1.4
59.01274	6.0
65.00203	6.5
69.92722	3.1
69.93117	4.8
71.01276	4.7
73.02846	1.9
83.01276	4.6
93.03368	4.2
95.01294	5.8
96.95921	5.4
98.20524	3.3
99.00788	2.8
101.02316	1.8
106.00536	3.0
107.01326	5.6
108.34621	1.3
109.02849	9.2
111.00789	8.8
113.02353	1.9
117.40063	1.6
121.02869	3.8
123.00850	7.4
123.01571	1.4
124.01528	1.8
124.98728	3.2
125.02387	4.0
125.83691	1.6
133.02878	5.2
135.04430	5.8
136.98805	1.6
137.02362	4.1
139.00333	12.2
140.01140	1.7
141.01894	2.4
142.08273	1.6
143.04916	2.4
145.02887	2.0
148.01563	2.6
149.02377	5.4
149.99583	3.6
151.00331	23.0
152.01112	3.9
153.01865	3.7
154.99835	4.1
155.10722	2.3
159.04414	4.7
161.02388	11.6
163.00333	4.0
163.04042	2.5
164.01057	2.4
164.98235	2.6
165.01860	3.4
166.99838	2.7
168.00610	4.0
169.01413	3.6
169.21033	1.7
171.04434	4.1
174.03189	1.9
175.03947	5.4
177.01857	3.1
177.05461	1.9
177.99020	7.5
178.99823	34.1
179.03433	6.6
180.00426	2.5
181.01343	2.0
185.02583	1.7
187.03992	10.0
189.01895	5.5
189.05473	1.6
191.03560	2.6
191.05489	3.5
192.00648	1.8
193.01413	5.6
194.99319	3.0
199.04007	6.5
201.01878	5.1
202.02719	2.6
203.03465	12.5
204.04266	2.3
204.97803	2.0
205.01418	3.9
206.99405	2.1
207.02945	3.6
208.00052	2.1
209.00847	6.6
215.03499	10.6
216.04146	2.0
217.01404	4.5
219.02950	3.0
227.03523	3.3
229.01460	4.4
230.02319	2.0
231.03046	10.3
232.03674	8.2
233.00964	2.6
233.04539	10.1
239.05840	2.2
241.01343	2.3
242.02200	3.6
243.03006	18.5
245.00876	2.0
245.04617	2.9
247.02460	3.3
255.03056	3.8
257.00882	3.2
258.01813	3.7
259.02515	12.4
260.03223	3.5
261.04059	4.5
267.77774	1.8
269.00906	2.3
270.99762	2.8
271.02530	38.5
272.03021	4.3
285.00272	1.9
286.01236	4.4
287.02039	46.0
288.02502	9.9
289.03534	6.9
295.08679	2.1
297.00494	11.7
299.02072	14.9
300.02759	12.0
301.03519	9.7
314.00641	2.6
315.01541	100.0
316.01917	11.1
317.03052	4.1
332.01834	9.2
333.02594	6.5
360.18396	1.5
392.91547	1.6
463.08954	3.4
501.12378	3.5
505.12503	2.4
508.96631	1.9
529.12268	2.6
533.10620	1.8
541.15961	3.4
569.15186	4.2
593.96832	1.7
597.14539	5.2
598.14905	2.2
609.14154	1.7
613.14618	2.7
623.12744	11.6
624.12225	2.4
641.13599	45.5
642.14178	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	639.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09496	0.1
52.05321	0.1
53.45020	0.1
54.15696	0.1
59.01269	0.7
61.98726	0.4
70.13903	0.3
70.14293	0.3
89.68401	0.1
91.05450	0.2
93.03346	0.8
96.95905	0.2
97.02879	0.2
98.19861	0.1
117.03367	0.3
119.04946	100.0
120.05274	3.9
122.03667	0.3
135.04472	0.2
137.02377	0.1
163.03958	72.5
164.04292	3.6
173.04495	0.1
173.09593	0.1
187.11325	0.2
189.12825	3.7
190.13188	0.2
191.05576	0.2
191.07111	0.5
203.72900	0.1
205.08678	2.4
206.09061	0.2
207.10190	0.3
243.13860	0.2
269.19275	0.6
313.18170	24.0
314.14993	0.2
314.18509	2.6
319.22821	0.4
325.09311	1.2
331.19238	0.8
346.89050	0.1
532.42090	0.1
639.28162	1.2
640.28741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12164	0.3
52.37954	0.3
58.00466	0.5
59.01263	100.0
60.01607	1.0
61.98710	2.7
67.01786	0.6
69.03343	14.5
69.22852	3.4
71.01270	4.9
71.04926	0.5
72.99210	0.4
73.02856	0.4
75.00813	0.4
78.95842	0.4
83.01287	0.3
85.02853	2.4
85.06489	1.2
87.00795	0.4
89.02340	4.2
93.03406	0.4
95.01294	0.7
97.02850	33.4
98.03196	0.8
99.00810	0.4
99.04363	0.3
101.02336	3.3
113.02356	5.9
115.03922	8.2
119.03422	2.5
119.04938	0.8
121.02896	0.3
125.02374	0.3
133.02887	0.5
135.04482	0.4
143.03439	1.0
161.02464	0.5
161.04465	3.0
161.05403	0.2
163.03949	0.8
173.04515	0.3
179.05600	1.3
185.22093	0.3
191.05621	1.0
221.06631	0.9
259.31897	0.3
275.23886	1.1
301.21750	1.7
313.18030	0.8
319.22842	14.0
320.23187	1.4
325.21671	0.5
329.28586	0.6
331.15344	0.3
343.22787	0.4
373.27597	1.7
417.26544	72.4
418.26901	9.9
431.27963	0.4
441.26550	6.1
442.26974	0.6
457.14111	0.3
459.27576	1.7
471.27805	1.3
505.51352	0.3
579.32355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66448	0.3
57.03330	0.6
59.01258	2.0
61.07965	0.3
66.19220	0.3
69.03371	0.4
70.53040	1.1
72.99202	19.0
73.02843	2.5
76.83147	0.3
85.02859	2.1
87.00787	0.8
89.02350	0.7
93.03349	1.6
96.95918	0.5
99.00800	0.7
101.02361	1.0
107.01299	0.4
108.02191	0.3
113.02362	2.8
116.92766	1.4
117.03385	2.3
119.04950	100.0
120.05284	3.2
121.02897	1.3
123.04437	0.4
132.05692	0.4
134.03700	0.7
135.04463	1.2
135.08093	1.2
137.09659	4.4
145.02901	3.9
147.04492	0.3
151.00305	0.8
151.03885	0.4
152.01062	0.5
155.10730	52.1
156.11082	2.5
160.01646	0.6
161.02374	0.3
162.03188	0.6
163.03963	60.8
164.04283	3.0
173.04570	0.4
175.03929	0.7
175.07639	0.6
179.03468	0.4
181.08878	0.3
183.04466	1.3
184.04842	0.4
185.05034	0.3
187.04073	0.4
191.05640	3.4
193.05046	1.0
199.09749	14.8
200.10143	0.7
205.04948	0.6
206.99245	0.5
211.04037	0.8
212.04190	0.3
213.47299	0.3
215.02824	0.3
219.06702	0.4
219.26103	0.3
227.03568	0.7
241.10826	0.5
245.04372	0.6
255.03036	5.9
256.03360	4.4
257.03522	2.3
273.04169	0.5
277.07224	1.4
283.02563	13.7
284.02893	9.9
285.03128	8.5
286.03305	0.4
301.03583	3.6
307.08279	0.6
325.09418	1.3
329.17847	0.4
337.09436	0.5
409.11789	0.4
426.88986	0.3
439.12521	9.6
440.13071	1.1
457.13663	4.8
458.14493	0.3
475.18390	0.7
639.23108	72.7
640.23413	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	639.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30153	0.3
57.03343	0.5
59.01268	4.5
59.95914	0.2
60.99193	0.5
61.98708	0.5
63.02293	1.1
65.00201	3.1
67.01772	0.3
69.03335	0.4
71.01283	2.5
71.09287	0.7
73.02844	1.0
75.00770	0.4
78.95832	0.5
83.01278	2.7
83.04939	0.4
84.49673	0.3
85.02844	4.5
87.00790	1.2
87.04405	0.7
88.98710	2.0
89.02328	1.1
93.03362	6.9
95.01305	1.2
96.95914	1.6
97.02896	0.4
99.00790	0.8
99.04465	0.3
101.02348	1.4
107.01303	4.7
108.02079	0.4
109.02856	0.8
111.00795	0.5
111.04457	0.8
113.02361	1.4
116.92767	1.0
117.03387	2.9
118.98032	0.5
119.04931	2.2
121.02868	0.3
124.01591	0.9
125.02380	2.2
127.03963	0.8
128.83528	0.4
131.07086	0.4
133.02899	0.3
134.03688	0.6
135.00845	0.9
135.04460	1.4
136.01476	0.3
137.02385	0.9
141.03435	0.3
143.04984	0.7
143.07091	0.8
145.02908	2.3
147.04463	0.6
148.92719	0.3
151.00317	12.8
152.01120	3.3
153.01842	1.0
155.03584	0.3
155.04987	0.9
159.04448	1.7
161.02448	1.4
161.06094	0.6
163.00343	2.6
163.03947	2.5
164.01089	0.5
169.01408	1.0
169.02802	0.3
171.04436	1.0
173.04570	1.9
173.05917	0.5
175.03951	0.6
177.01944	0.3
177.05562	0.3
177.40291	0.3
178.99828	4.0
179.03514	0.4
181.85147	0.3
182.03694	0.8
183.04492	6.6
184.04845	0.5
185.02414	0.7
185.06055	0.8
187.03925	1.5
189.05611	0.3
191.05589	56.1
192.05952	2.4
193.05037	0.9
201.05545	1.3
206.99344	4.1
208.00093	1.7
209.08276	0.4
210.03018	0.3
211.04001	3.6
213.05730	0.3
215.03481	1.1
227.03517	3.0
229.05121	2.5
233.33614	0.3
239.03491	1.0
239.66225	0.3
245.04588	14.5
246.04913	1.1
255.03035	46.5
256.03384	3.6
257.04645	3.0
273.04117	17.4
274.04468	1.3
283.02551	100.0
284.02905	8.4
301.03607	89.2
301.10599	0.4
302.03949	7.8
332.59738	0.3
337.09366	15.4
338.09653	1.2
398.51224	0.3
401.55499	0.3
464.28384	1.5
465.27347	1.2
466.28137	0.3
579.30469	0.6
638.37762	4.2
639.14246	0.4
639.29156	0.4
639.37897	1.6
640.39948	0.4
661.46735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1375
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
57.03343	0.6
59.01271	3.4
61.98720	0.3
62.66647	0.3
63.02275	1.7
65.00213	3.8
65.00526	0.4
71.01263	1.5
71.02660	0.7
72.99206	0.9
73.02843	1.1
75.00792	0.3
76.36266	0.3
81.03351	0.5
83.01273	3.0
83.01634	0.3
85.02847	1.0
87.00785	1.0
89.02361	0.9
93.03359	9.4
95.01273	2.4
96.95914	1.0
97.02872	0.3
99.00781	0.5
101.02383	1.6
102.01862	0.3
107.00621	0.6
107.01306	6.4
107.02030	0.4
107.81493	0.3
108.02094	0.7
109.02885	0.8
111.04415	0.8
111.11134	0.2
113.02378	0.9
115.00338	0.3
117.03380	3.9
119.04953	13.0
120.05315	0.7
121.02870	1.4
123.00806	1.1
123.04436	0.4
124.01603	0.9
125.02373	4.7
133.02858	0.4
133.05000	0.6
135.00826	1.3
135.04466	1.6
137.02385	1.2
139.00253	0.5
141.01830	0.4
141.03395	0.6
142.57037	0.3
143.04947	1.0
145.02902	2.3
147.04420	0.4
151.00313	16.0
151.03941	0.4
152.01118	4.5
153.01843	1.0
153.05495	0.5
155.03424	0.6
155.04971	0.5
157.06548	0.3
159.04443	2.3
161.02409	2.5
161.06021	0.8
163.00339	3.6
163.03961	33.4
164.01111	1.3
164.04309	1.5
165.05548	1.0
167.04938	0.3
169.01381	1.3
171.04475	0.9
171.34702	0.3
173.02405	0.3
173.04526	1.6
173.05930	0.5
177.01880	0.4
177.05513	0.5
178.99832	7.0
179.03484	1.0
181.01334	0.4
181.05064	0.8
182.02188	0.6
182.03746	0.8
183.04500	5.6
184.04872	0.4
185.02400	0.8
185.06073	1.1
187.03984	1.7
189.05510	0.8
189.09198	1.0
191.03802	0.4
191.05571	6.3
192.04268	0.4
194.00890	0.7
194.05803	0.5
197.04559	2.0
201.05620	2.1
205.05222	0.3
206.99341	7.5
207.01175	0.5
207.06516	0.3
208.00117	3.3
209.08279	0.9
210.03288	0.4
211.04027	4.0
212.04372	0.4
213.05540	0.8
215.03415	1.6
221.08244	0.5
226.02695	0.3
227.03529	2.6
229.05116	4.0
239.03545	1.2
245.04597	20.4
246.05048	1.7
255.03044	44.7
256.03369	3.8
257.04642	5.7
270.06552	0.3
273.04126	26.1
274.04498	2.1
283.02560	100.0
284.02908	8.9
301.03619	92.7
302.03937	8.6
315.12506	0.7
321.52097	0.3
327.08893	0.4
328.04855	0.4
337.09390	11.4
338.09763	1.2
345.22501	0.3
435.17401	0.3
441.13773	0.5
477.17920	0.5
639.27466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67691	0.6
57.03336	1.3
59.01267	10.8
61.98682	0.7
63.02267	1.4
65.00213	5.3
68.99674	0.7
69.53117	2.6
69.53525	1.7
71.01273	5.3
72.99176	2.6
73.02830	4.1
75.00727	0.8
77.41309	0.5
83.01283	4.4
85.02834	2.6
87.00748	1.9
89.02308	1.7
93.03357	12.4
95.01309	2.7
96.95905	0.6
98.20629	0.9
99.00774	0.9
101.02350	4.1
107.01295	7.2
109.02867	1.2
111.04437	0.8
113.02352	2.7
117.03384	3.6
119.04951	16.4
121.02880	4.6
123.00770	2.0
124.01598	1.4
125.02374	8.1
131.03378	0.8
133.02852	0.6
135.00838	1.2
135.04413	2.3
137.02359	2.1
137.03403	0.6
138.03238	0.7
141.03354	1.0
143.04910	1.1
145.02898	5.5
150.99141	1.1
151.00313	19.5
151.03903	1.0
152.01108	5.3
153.01883	0.8
153.05531	2.4
155.03413	1.4
155.04945	0.8
159.04492	3.2
159.21982	0.5
161.02414	4.1
161.05989	1.6
163.00343	3.5
163.03961	33.8
164.01067	1.1
164.04308	1.6
165.05493	3.8
167.04916	0.9
169.01344	1.5
171.04507	1.6
173.02386	0.5
173.04510	2.2
173.05949	0.8
176.04733	0.9
177.01851	2.2
178.99835	5.9
179.03458	2.6
180.04179	0.7
181.05078	0.9
182.02142	1.8
183.04486	6.4
185.02420	1.0
185.05983	1.2
187.03951	1.9
189.09167	2.6
191.05589	7.5
191.07166	1.0
192.04240	1.7
192.05859	0.9
193.04901	0.7
194.05872	2.5
197.04535	6.4
201.05576	2.6
206.99347	6.7
207.06659	1.2
208.00134	4.0
209.08215	2.8
211.04071	3.9
215.03511	1.3
221.08238	0.8
227.03537	2.0
229.05070	4.9
236.06133	0.6
239.03520	1.1
245.04584	20.4
246.04967	1.0
255.03043	51.8
256.03455	4.7
257.04547	5.5
273.04114	25.3
274.04562	2.2
283.02551	100.0
284.02936	8.4
292.06519	0.6
301.03616	99.0
302.03955	8.6
315.12399	1.1
337.09409	12.7
338.09641	0.8
350.44940	0.5
383.14169	0.7
399.76721	0.6
401.20377	0.6
441.14188	1.8
477.17844	1.6
639.18689	0.9
639.26489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13512	0.5
52.76830	0.5
57.03327	0.7
59.01261	2.4
59.93320	0.5
63.02290	1.5
64.16700	0.6
65.00205	6.4
66.20494	0.6
67.01781	1.1
69.03346	0.6
69.62912	4.2
71.01282	1.7
76.89487	0.7
78.95789	4.5
82.22020	0.6
83.01278	4.8
85.02867	2.1
87.00778	1.8
93.03360	16.2
94.03741	0.7
95.01297	2.9
95.37959	0.5
96.95944	1.2
96.96861	4.0
98.20531	1.2
101.02341	0.7
105.93330	0.6
107.01290	9.9
109.02892	0.8
114.90788	0.6
117.03384	4.1
119.04949	2.6
124.01606	1.6
125.02364	4.1
135.00822	1.7
135.04453	2.3
137.02359	1.6
143.04922	1.5
145.02913	2.9
151.00308	28.9
152.01112	8.1
153.01930	1.2
155.04973	1.1
159.04448	3.4
161.02356	3.3
161.06030	1.0
163.00349	6.0
163.03935	3.2
164.01100	1.4
167.04929	0.7
169.01430	1.2
171.04465	1.2
173.04533	2.2
173.05959	1.2
177.05528	0.8
178.99823	9.0
182.03749	0.9
183.04477	6.7
184.04840	0.7
185.02504	1.0
185.06015	1.2
187.03993	1.9
191.05586	25.6
201.05594	3.4
206.99347	13.5
208.00117	6.1
211.04018	4.4
213.05637	1.0
215.03490	1.8
227.03522	2.8
229.05081	4.3
233.09535	5.6
238.70897	0.6
239.03613	1.0
245.04575	36.3
246.04858	3.2
255.03026	41.7
256.03400	3.5
257.04587	8.1
258.05133	0.8
273.04092	53.2
274.04437	3.8
283.02542	82.2
284.02908	8.4
301.03592	100.0
302.03848	8.1
335.02039	2.6
336.02731	5.5
337.09296	5.8
351.05142	10.1
352.05490	0.9
360.98434	0.6
491.09796	0.7
535.08917	1.0
553.09998	1.7
577.53607	0.6
582.75562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18232	1.0
68.02568	1.0
69.57278	1.1
71.57842	2.2
78.95797	100.0
82.42432	1.1
86.05988	1.3
96.44044	1.1
96.96873	7.8
127.02457	1.3
134.98442	1.7
152.99536	56.2
153.99887	1.4
199.47891	1.3
201.11295	14.3
209.11829	20.1
211.20802	1.2
227.12868	3.4
255.23346	73.1
256.23666	8.1
315.88348	1.2
363.12106	2.8
381.13232	6.3
391.22726	14.4
409.23740	7.1
593.34436	3.8
619.36310	31.7
620.36310	6.6
637.26001	16.8
637.37329	56.9
638.26202	3.6
638.37488	13.3
662.90448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1371
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
59.01281	1.1
61.24922	0.5
61.98721	5.4
63.02279	1.0
65.00208	1.3
69.41357	2.0
69.41776	2.3
83.01301	1.2
96.95931	0.6
97.78732	0.4
101.02346	1.1
107.01289	3.4
108.02019	1.0
109.02879	1.1
117.03373	0.6
119.04935	1.0
121.02886	1.4
125.02357	0.5
127.48283	0.5
129.82092	0.5
132.02107	0.7
133.02892	6.7
134.03648	1.7
135.00836	0.7
135.04449	13.2
136.04762	0.8
137.02443	0.9
145.02931	0.7
148.01628	1.1
149.02415	0.4
149.06052	1.1
149.12364	0.5
151.00307	14.1
152.01122	0.5
153.01923	0.5
157.94763	0.5
159.04431	0.6
160.01581	1.5
161.02390	28.6
162.02782	1.5
163.00371	2.2
163.04012	0.9
164.01134	1.2
167.63234	0.5
169.01433	1.3
175.03993	2.1
177.05522	1.5
178.99835	5.4
179.03447	10.1
180.03751	0.5
183.04486	0.8
189.05603	0.5
190.99866	0.6
191.05573	1.2
193.05066	0.8
198.16895	0.5
199.03967	2.0
201.05589	0.5
203.03421	1.4
204.03992	0.5
211.03987	1.2
215.03510	1.2
216.04306	0.9
220.03812	0.5
221.04538	1.5
226.02794	1.3
227.03484	4.1
228.03876	0.5
229.05037	0.8
242.02248	0.7
243.03021	13.3
244.03580	1.7
245.04536	1.5
254.02307	1.4
255.03024	24.7
256.03543	2.0
257.04578	1.3
270.01776	1.0
271.02536	53.8
272.03137	7.5
273.04034	0.9
283.02567	1.3
285.03976	1.2
286.04831	1.0
287.05682	0.9
299.02069	14.8
300.02814	94.8
301.03494	34.4
302.04092	2.2
314.04437	12.7
315.05161	39.5
316.05463	3.6
323.07761	13.8
324.08017	0.9
449.23712	0.5
463.08926	26.3
464.09195	2.7
473.66769	0.5
477.10471	3.4
506.29584	0.6
531.62982	0.5
595.27966	0.9
639.13690	100.0
640.14008	21.3
640.24878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25305	0.3
59.01264	100.0
60.01600	0.7
61.98705	1.8
68.10658	0.3
69.03330	0.4
70.72804	0.8
70.73173	0.8
71.01266	6.2
72.99178	0.6
73.02824	0.8
75.00746	0.4
78.95844	0.4
83.01254	0.5
85.02853	2.4
87.00768	0.7
89.02335	3.2
93.03358	1.0
95.01291	0.4
97.02839	0.6
99.00797	0.6
99.04417	68.5
100.04749	1.9
101.02329	3.1
113.02366	3.6
117.03356	0.4
119.03398	0.9
121.02841	1.2
125.02386	0.8
133.02890	1.9
135.04474	1.8
137.02376	0.5
143.03404	0.7
145.02853	0.8
151.07504	0.4
152.99521	0.6
161.02414	2.4
161.04482	2.4
162.79053	0.3
173.04483	2.2
177.01794	0.3
179.03429	1.1
179.05551	1.0
191.05550	3.8
193.05144	0.4
195.06668	1.9
209.04533	0.9
305.00827	0.4
315.19794	0.7
319.23068	0.4
322.62344	0.3
333.20758	2.0
371.38675	0.4
433.25751	0.8
439.29248	0.4
477.24805	1.5
495.26141	6.5
496.26071	1.0
517.44720	0.3
555.25745	0.5
577.30219	4.8
578.30353	0.9
637.32349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.0
57.03336	1.5
59.01265	100.0
59.05972	0.3
60.01604	1.0
61.98719	0.7
62.16792	0.4
65.75835	0.4
67.01791	0.7
69.03344	7.8
71.01272	29.4
71.04933	0.4
71.57031	0.4
71.57443	0.4
72.01617	0.4
72.99224	0.6
73.02836	8.4
75.00771	0.5
78.95791	1.6
83.01270	2.7
85.02844	12.7
87.00786	1.0
87.04366	0.3
88.98712	0.7
89.02332	4.7
93.03391	0.7
95.01270	2.1
97.02854	43.5
98.03201	1.0
99.00783	5.0
99.04427	4.4
101.02347	14.9
102.02710	0.4
109.02889	0.5
113.02357	14.5
115.03926	12.0
116.04262	0.4
119.03458	1.3
125.02332	0.9
131.31795	0.3
133.02928	2.0
135.04468	1.1
143.03413	1.9
152.99550	0.8
159.02956	4.4
161.02504	4.6
161.04500	27.2
162.04857	0.5
162.64841	0.3
171.10201	1.7
179.03464	0.4
179.05638	1.0
180.96136	0.3
181.12326	0.4
191.05563	2.0
193.05211	0.6
203.01456	0.3
203.05663	0.6
205.03590	1.2
211.13542	0.5
259.08292	2.0
259.49854	0.4
317.21387	1.2
361.67331	0.4
389.27100	0.6
415.25024	12.5
416.25311	2.0
433.26291	1.1
593.17352	0.9
637.33203	3.5
638.33002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.2
56.02556	0.6
57.03330	1.5
58.00475	3.0
59.01267	100.0
59.87432	0.6
60.01613	0.8
61.98722	1.1
68.99718	0.8
69.03355	0.9
70.93618	0.7
70.93944	1.5
71.01273	41.9
72.01660	0.8
72.99210	3.4
73.02835	5.6
75.00769	1.9
83.01284	2.7
83.45457	0.7
85.02847	13.6
87.00761	3.8
88.98695	0.9
89.02344	37.7
93.03378	2.8
95.01290	4.9
96.95928	2.4
99.00809	2.5
101.02350	23.9
108.02087	1.7
109.02892	0.9
111.00813	1.3
113.02364	24.4
116.92778	1.3
119.03424	13.9
119.04964	2.0
121.02946	0.9
125.02396	1.3
127.03983	1.0
129.01851	1.1
131.03459	1.9
133.88387	0.6
134.03668	1.0
135.04494	1.2
137.02382	1.4
139.00333	0.8
141.01897	1.1
143.03438	4.2
145.02873	1.2
149.04550	2.2
152.01114	1.4
153.01845	0.9
161.02452	0.8
161.04506	6.3
163.03993	2.5
165.01886	0.8
173.04547	2.6
177.05573	0.6
179.03470	1.2
179.05591	8.8
180.41609	0.6
191.05589	9.0
192.06030	1.2
193.05011	1.5
195.06656	2.2
201.04065	0.9
209.08374	1.0
299.02206	1.0
355.21512	0.8
373.13272	0.9
429.10397	0.7
433.15210	2.0
517.26721	45.5
518.27264	5.6
533.26190	1.5
535.27753	25.4
536.28351	2.2
551.27484	1.4
577.28839	24.6
578.28973	3.7
593.28717	0.9
637.22284	1.5
637.32141	1.1
638.22491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41682	0.3
55.01785	0.5
55.76053	0.3
56.22110	0.3
57.03339	0.7
59.01269	2.1
65.00239	0.3
65.18472	0.4
67.01786	0.3
69.03352	1.0
69.20222	0.3
71.01259	1.7
71.57952	0.5
72.99200	29.3
73.02843	0.5
73.90365	0.3
74.04691	0.4
75.00756	0.7
78.95798	3.2
78.96210	0.4
83.01290	1.1
85.02838	2.3
87.00795	0.7
89.00228	1.8
89.02381	0.6
91.01777	0.6
93.03369	1.2
95.01307	1.3
96.95910	3.2
96.96862	2.9
98.18764	0.3
99.00792	1.3
101.02357	0.7
105.65247	0.3
106.00505	1.8
107.01302	3.3
111.00802	0.8
112.98759	0.4
113.02358	5.7
114.33979	0.4
117.03377	1.9
119.04947	100.0
120.05278	3.6
121.02876	26.0
122.03160	0.6
123.00793	5.3
123.04478	0.5
124.01604	0.7
125.02348	0.4
127.00287	0.6
131.03452	0.8
133.02861	0.4
135.04428	0.3
136.98717	0.4
137.02371	0.4
138.03163	4.0
139.00319	0.9
139.03946	3.4
145.02901	4.4
149.43138	0.3
153.01927	0.5
153.05524	15.7
154.05879	0.4
162.03169	1.7
163.03957	69.6
164.04312	3.1
166.99817	5.9
168.00552	1.7
169.74510	0.4
173.04593	0.6
175.73347	0.3
177.05481	2.9
179.03493	0.5
179.73384	0.3
181.01476	0.6
182.02177	15.1
183.02956	16.3
184.03262	0.5
186.01587	0.3
191.05588	2.4
197.04536	36.8
198.04854	1.9
205.05069	0.4
207.04408	0.3
210.24535	0.3
219.06827	0.8
233.09531	1.8
234.09840	0.4
249.09070	0.4
277.07257	3.0
278.07336	0.3
307.08188	1.7
325.09375	1.3
337.09229	0.4
367.10519	0.7
371.08838	0.5
381.08527	0.7
403.11496	1.0
409.10983	0.4
433.14969	0.5
439.12552	25.4
440.12869	3.1
457.06982	0.4
457.13583	7.8
458.14172	0.7
466.93427	0.3
593.28290	3.3
637.17804	27.0
638.18158	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	637.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.6
57.03332	0.8
58.00477	0.6
59.01264	100.0
60.01589	0.7
69.03352	0.9
69.41029	2.8
71.01269	24.4
72.01570	0.4
72.99214	1.2
73.02834	29.8
74.03159	0.7
75.00767	0.6
77.78520	0.3
78.95793	10.1
81.03353	0.3
83.01273	9.0
85.02848	4.9
87.00773	1.3
89.02338	5.9
93.03366	0.8
93.44217	0.3
95.01299	1.2
96.95933	0.7
96.96231	0.5
96.96861	7.9
97.02862	0.4
99.00784	0.8
99.04438	0.5
101.02345	32.6
102.02715	0.6
103.77726	0.3
108.02076	0.5
113.02353	11.5
116.92801	0.3
119.03413	4.3
125.02378	1.5
129.01839	0.4
131.03441	3.3
134.03639	0.8
135.04494	0.6
137.02393	1.1
143.03427	3.3
145.02879	0.3
149.04488	5.7
152.01161	0.4
155.03526	1.0
155.10719	4.8
156.11115	0.3
161.02420	0.8
161.04501	10.0
161.05843	0.6
162.90594	0.4
167.03465	0.5
173.04538	0.5
179.03586	0.4
179.05536	0.5
190.68367	0.4
191.05545	2.4
193.05112	0.6
194.05437	0.5
203.05571	1.5
207.04427	0.4
207.06641	0.4
221.06639	2.7
233.09486	9.7
234.09836	0.8
249.08983	0.7
271.02661	1.3
272.10455	0.4
288.10153	0.5
299.02057	2.4
312.65158	0.4
317.16193	0.5
330.09286	0.4
356.61176	0.4
359.17172	6.1
359.21252	0.5
360.17538	0.5
402.85593	0.3
403.11691	0.4
440.11368	0.4
471.12070	0.4
493.23456	1.0
593.15363	0.5
637.27563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.3
61.98718	0.3
63.02294	0.8
65.00237	0.9
69.51580	1.1
69.52008	1.1
71.01279	0.6
72.99223	0.3
77.68884	0.4
83.01283	0.3
85.02848	0.8
93.03359	1.5
96.95959	0.4
101.02339	0.3
107.01321	1.1
107.56014	0.2
113.02354	0.5
116.92789	1.5
117.03389	3.5
119.04957	0.5
133.02916	0.8
135.00841	0.5
135.04420	0.7
141.03394	0.6
151.00328	1.1
155.04956	0.9
159.04472	1.3
161.02425	0.3
163.04001	0.4
167.05110	0.3
169.01274	0.3
169.02797	0.3
171.04431	0.9
173.04494	0.8
173.06001	0.5
180.03691	0.4
182.03700	1.1
183.04485	7.3
184.04845	0.6
185.02428	0.7
187.03967	0.4
191.05580	4.7
191.07271	0.2
197.02448	0.4
198.25598	0.3
199.04037	0.4
203.72441	0.3
209.08119	0.4
211.04007	3.3
227.03503	3.7
255.03041	39.7
256.03378	3.2
283.02554	100.0
284.02957	9.6
285.04187	0.4
292.35706	0.3
331.90985	0.3
351.07135	0.4
449.36069	0.3
531.02142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25494	0.1
56.24626	0.1
56.89377	0.1
59.01268	1.0
59.08973	0.1
59.83203	0.1
63.02306	0.5
64.99915	0.2
65.00241	0.5
65.51481	0.1
70.28095	0.1
70.47631	0.5
71.01277	0.6
72.99213	0.2
73.02819	0.2
75.00772	0.2
80.93842	0.1
82.44909	0.1
83.01266	0.3
83.89784	0.1
85.02861	0.5
87.00790	0.3
88.98695	0.4
89.00229	0.1
89.02376	0.2
91.01765	0.2
92.99689	0.1
93.03351	1.3
94.03722	0.2
94.30053	0.1
94.50521	0.1
95.04921	0.1
96.95916	0.6
97.02885	0.1
101.02353	0.4
105.03353	0.3
107.01299	1.0
109.02870	0.1
111.04424	0.1
113.02340	0.2
116.92783	0.4
117.03364	2.4
118.03744	0.2
118.97997	0.4
119.04939	0.6
120.05285	0.1
123.04446	0.4
133.02879	2.0
134.03679	0.8
135.00822	0.4
135.04451	1.8
137.02379	0.6
141.03389	0.6
143.05020	0.2
145.02887	0.2
151.00291	0.9
153.17854	0.1
154.04184	0.2
155.03638	0.2
155.04962	1.0
159.04485	1.4
160.01579	0.4
161.02415	0.4
163.03960	0.4
167.04996	0.3
169.02791	0.2
171.04478	0.5
173.04527	0.7
173.05994	0.3
175.03989	0.4
177.01906	0.8
178.02620	0.3
179.03477	1.0
181.03082	0.1
182.03690	0.8
183.04491	6.3
184.04832	0.3
185.02399	0.9
187.03905	0.2
191.05583	2.8
193.05000	0.9
197.02396	0.2
199.03986	0.4
209.02531	0.2
210.03204	0.1
211.04002	3.1
212.04388	0.2
215.03661	0.2
217.56396	0.1
226.02742	0.4
227.03532	3.9
228.03786	0.1
255.03027	37.1
256.03363	2.3
282.01770	0.2
283.02542	100.0
284.02957	8.5
285.04025	0.4
351.07315	0.3
353.08942	1.1
413.10843	0.2
431.12012	0.1
637.22406	0.2
637.32697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22760	0.1
59.01268	0.8
63.02263	0.9
65.00189	1.1
71.57512	0.3
73.02837	0.2
83.01280	0.3
85.00348	0.2
85.02860	0.5
87.00813	0.2
89.00244	0.2
92.02563	0.2
93.03350	1.6
101.02375	0.2
105.03371	0.2
107.01324	0.8
108.02055	0.2
109.02848	0.2
111.04461	0.2
117.03371	3.0
123.04485	0.4
131.00766	0.2
133.02890	1.6
134.03683	0.4
135.00830	0.3
135.04437	1.2
137.02397	0.2
141.03423	0.5
151.00339	1.0
155.03761	0.2
155.04964	1.0
159.04468	1.5
160.01640	0.4
161.02441	0.8
169.01337	0.2
171.04501	0.6
171.15746	0.2
173.04512	1.1
173.05934	0.3
175.03903	0.3
177.01891	0.5
179.03441	0.7
182.03641	1.4
183.04494	7.2
184.04837	0.4
185.02444	1.1
187.04024	0.3
191.05598	3.8
192.06004	0.3
193.05035	0.3
199.04005	0.5
209.02496	0.2
211.03993	3.0
212.04214	0.2
215.05536	0.3
218.34633	0.2
226.02791	0.6
227.03508	4.5
228.03828	0.2
239.03467	0.2
255.03029	41.1
256.03421	2.6
271.02640	0.2
282.01672	0.2
283.02545	100.0
284.02969	9.1
285.03958	0.7
351.07358	0.4
353.08789	0.5
418.38696	0.2
437.45731	0.2
475.12427	0.3
529.12714	0.2
572.41895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.6
59.02530	0.1
63.02280	0.7
64.37773	0.1
64.99915	0.2
65.00178	0.7
67.01765	0.2
69.03355	0.2
69.34666	1.5
74.14727	0.1
80.38392	0.1
83.01265	0.3
85.02828	0.3
87.00739	0.2
91.01780	0.2
93.03358	1.7
96.95892	0.1
98.19709	0.3
101.26865	0.1
107.01283	1.0
109.02853	0.3
111.04459	0.2
116.92770	0.4
117.03383	2.7
119.04926	0.2
121.02995	0.2
123.04460	0.3
125.02332	0.2
133.02899	1.3
135.00842	0.3
135.04460	1.9
141.03397	0.5
143.04973	0.2
145.02859	0.2
151.00264	0.9
154.04247	0.2
155.04985	1.0
159.04475	1.5
161.02394	0.3
163.03952	0.2
165.86435	0.1
167.04996	0.2
169.01373	0.2
169.02779	0.2
171.04477	0.6
173.04512	1.0
173.05902	0.2
177.01833	0.5
179.03462	0.6
182.03676	1.0
183.04491	6.6
184.04866	0.5
185.02437	0.9
187.03955	0.4
191.05589	4.1
192.05951	0.2
197.02386	0.4
199.03983	0.3
209.02516	0.2
210.03134	0.3
211.04005	3.4
213.01877	0.2
215.03639	0.2
215.05580	0.6
226.02754	0.4
227.03506	10.3
228.03822	0.7
236.17450	0.1
255.03029	41.6
256.03406	3.6
283.02545	100.0
284.03107	15.1
285.03961	1.8
351.07339	1.5
352.07874	0.2
655.90460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27076	0.5
59.01268	1.2
69.03342	4.4
69.70522	3.7
75.35636	0.5
76.69598	0.5
80.96417	1.5
81.79494	0.5
83.04944	3.1
94.14435	0.5
97.06504	0.6
99.04420	0.5
111.04439	7.0
119.08619	0.6
121.06467	0.6
137.09647	2.5
149.09679	0.8
150.42064	0.5
184.63065	0.6
187.11221	0.7
191.05577	0.8
203.14395	5.2
207.81474	0.6
233.15497	5.2
257.19162	1.8
271.20761	3.8
273.22345	2.6
275.23898	7.2
276.24054	0.7
301.21762	0.7
315.19730	100.0
316.20056	11.7
319.22858	74.4
320.23145	8.4
395.86441	0.7
444.61865	0.6
518.11224	0.7
577.27002	3.2
625.54163	0.7
639.16968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	6.8
57.03334	1.2
59.01268	17.3
61.98717	1.9
67.01775	0.5
69.03336	2.2
71.01272	8.6
71.04921	0.7
71.58599	0.8
72.99223	0.8
73.02825	3.8
75.00770	0.4
78.95797	1.6
81.03329	0.7
83.01289	1.5
83.04916	6.2
85.02845	57.2
86.03172	1.2
87.00760	0.7
88.98676	0.6
89.02344	3.0
93.03368	0.8
95.01283	1.9
96.95904	1.1
97.02846	0.9
99.00790	0.4
99.04428	1.5
101.02351	6.1
109.02903	0.8
109.06562	0.7
111.00793	28.1
111.04436	0.6
111.08091	1.1
112.01653	0.6
113.02358	13.6
114.02688	0.6
119.03411	0.8
121.02883	0.6
123.08085	2.9
125.02358	1.5
129.01910	0.8
131.03427	0.9
133.02896	1.4
134.03734	0.8
135.04463	1.3
139.03911	0.5
143.03423	2.0
152.99551	0.8
153.01878	1.5
155.03467	0.4
160.23039	0.4
161.02380	2.9
161.04428	2.1
163.04039	0.6
173.04501	1.4
179.03534	0.6
189.16490	1.3
191.05582	4.9
195.06606	0.8
205.15851	0.5
209.11893	0.5
251.16573	5.5
259.20941	0.5
269.10394	0.5
273.22424	1.5
275.23889	1.9
283.20804	1.4
301.21811	11.8
302.22073	1.2
307.44327	0.6
319.22800	2.5
325.25433	0.8
331.19409	0.6
343.26483	2.0
369.24399	5.9
370.24756	1.2
379.11572	0.5
387.25504	31.9
388.25818	4.3
391.21127	0.7
401.14676	1.1
405.83270	0.5
413.23434	14.4
413.28842	0.8
414.23911	2.6
429.26440	0.7
431.24475	100.0
432.24823	12.4
455.24219	1.0
473.25626	1.3
539.91724	0.6
575.28741	1.0
635.30963	17.5
636.31201	3.3
648.59753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94326	0.1
57.03334	0.3
59.01264	19.4
60.01582	0.1
61.98722	0.2
67.01762	0.7
67.28070	0.1
69.03342	16.7
70.03684	0.4
70.13666	0.6
71.01269	4.1
71.04906	0.8
73.02838	1.6
78.95774	0.2
83.01271	0.7
83.04913	0.3
84.54533	0.1
85.02843	3.0
87.00777	0.2
87.04417	0.2
88.98700	0.5
89.02345	0.6
93.03342	0.2
95.01277	0.3
95.04893	0.2
96.95927	0.2
97.02851	100.0
97.06490	0.4
98.03178	2.7
99.00789	0.3
101.02346	1.8
109.02841	0.3
111.00774	0.2
111.01820	0.1
111.04404	0.2
113.02356	2.0
115.03924	15.5
116.04269	0.4
119.03407	0.1
121.06505	0.2
123.00796	0.9
123.04454	0.3
123.08086	0.2
131.03397	0.2
132.69836	0.1
133.02855	0.6
135.04407	0.3
139.03915	0.4
141.01863	1.5
143.03430	0.2
145.02936	0.1
147.08115	0.2
151.03941	0.2
160.01576	0.2
161.02396	5.0
161.04521	0.5
162.02719	0.4
163.11266	0.3
165.12761	0.2
173.04480	0.2
175.03902	0.2
179.03435	0.2
183.14034	0.1
189.09128	0.4
191.05518	0.4
191.07108	0.9
193.05013	0.1
203.05499	0.2
205.08618	0.5
241.07201	0.6
259.08273	3.0
260.08514	0.2
269.65674	0.1
283.67255	0.1
299.01965	0.1
301.09341	0.9
315.19626	0.4
331.15329	0.2
331.19193	4.3
332.19391	0.5
333.20782	6.2
334.21100	0.7
349.19995	0.2
387.25452	1.1
388.25781	0.3
427.77997	0.1
431.24457	9.9
432.24750	1.3
457.25705	0.2
575.28339	0.2
586.75684	0.1
635.31354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02298	0.1
59.01265	21.2
60.01625	0.2
65.75294	0.1
67.01777	0.8
68.99701	0.2
69.03343	16.7
70.03675	0.3
71.01272	3.3
71.04919	0.8
72.99228	0.1
73.02837	1.9
83.01277	0.6
83.04921	0.3
85.02845	2.8
87.04414	0.3
89.02348	0.4
91.43978	0.1
93.03374	0.2
95.01318	0.1
95.04886	0.1
96.89113	0.1
97.02852	100.0
98.03191	2.5
98.20586	0.2
99.00766	0.2
99.04391	0.1
101.02345	1.7
107.04942	0.2
109.02866	0.2
109.06514	0.1
111.04393	0.2
113.02359	1.4
115.03925	16.1
116.04259	0.4
119.03455	0.1
119.04974	0.1
121.02872	0.1
123.04391	0.2
125.02322	0.2
125.06044	0.2
131.03369	0.2
134.03659	0.1
137.06006	0.1
139.03938	0.3
143.03413	0.2
149.04541	0.1
151.03928	0.3
153.05531	0.2
161.04465	0.7
163.11198	0.2
169.05022	0.2
175.04008	0.1
189.09192	0.3
193.05075	0.1
203.05563	0.2
241.07088	0.6
259.08252	3.0
260.08469	0.1
301.09412	1.0
302.09763	0.1
307.79706	0.1
315.19647	0.5
333.20789	6.3
334.21039	0.6
369.24603	0.1
387.25464	1.3
388.25800	0.2
431.24466	10.8
432.24771	1.5
575.28546	0.5
635.30225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
56.65241	0.3
57.03097	0.3
57.03337	3.0
58.00467	0.4
59.01268	25.3
64.41528	0.4
67.01779	1.2
68.99709	0.7
69.03339	1.2
71.01273	22.9
71.58022	0.5
72.01627	0.5
72.99191	4.5
73.02840	5.3
75.00768	25.2
76.84843	0.3
78.95805	2.0
81.03362	0.7
83.01302	2.6
85.02845	24.7
86.03188	0.7
87.00773	8.6
89.02345	5.1
93.03346	5.5
94.03719	0.5
95.01289	2.6
96.64892	0.4
96.95913	2.9
96.96867	1.4
97.02856	1.5
99.00787	7.1
101.02360	5.9
103.00301	0.5
109.02860	1.1
111.00787	1.3
111.04421	1.0
113.02360	22.5
114.02647	0.4
115.00287	1.6
116.92756	0.6
117.01857	1.6
117.03357	0.5
119.03407	0.8
119.04932	2.8
121.02924	0.5
121.36620	0.4
125.02358	0.9
127.03970	0.4
129.01878	0.8
131.03415	1.7
134.03693	0.5
135.04453	1.1
137.02376	1.0
143.03423	0.5
144.37039	0.4
145.02901	1.3
155.03432	0.7
157.01346	0.9
161.04553	0.6
163.03969	2.8
173.04523	7.4
175.02426	1.4
175.03850	0.5
179.03459	0.6
179.68994	0.4
191.05589	17.0
192.05949	1.0
201.04037	0.6
211.07689	0.5
233.09590	1.8
249.43008	0.4
249.74442	0.4
285.04144	0.9
286.04367	0.6
302.90674	0.4
337.09570	0.5
382.07245	0.5
549.16119	0.4
549.25232	0.5
591.26703	100.0
592.27148	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	635.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.8
71.58099	0.9
78.95797	25.4
96.96847	2.9
152.99521	14.9
171.10258	2.2
183.36052	1.3
207.10364	1.6
217.11717	1.5
225.11339	3.6
255.23312	16.2
256.23651	1.7
289.14166	1.2
294.69867	1.2
361.10883	1.9
379.11801	2.3
391.22629	4.1
399.28271	1.2
409.23648	2.6
415.15845	2.1
419.19022	1.6
430.13864	1.3
431.19040	3.6
445.16812	3.3
458.18088	1.9
459.18558	1.2
473.15469	1.9
474.16998	8.6
475.17609	4.7
487.17752	1.9
488.18906	7.5
489.19281	4.4
490.20187	8.3
501.19324	2.8
505.22714	3.3
513.19543	1.4
516.18420	1.9
529.19006	2.1
548.20935	2.7
575.23041	12.0
576.23694	7.0
577.24561	1.7
603.22803	3.8
617.34741	3.6
635.25354	100.0
635.35529	9.5
636.25702	20.0
636.35425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51736	0.5
59.01272	2.6
61.81522	0.5
64.60471	0.5
69.90833	2.7
71.01273	1.9
78.95800	11.0
87.00795	0.6
89.02334	0.8
96.96879	1.2
98.19814	1.0
101.02353	0.7
108.06366	0.5
113.02325	0.8
141.36377	0.4
152.99510	4.5
195.13861	0.5
207.10135	0.5
213.14944	0.9
225.11307	1.0
233.09615	0.7
242.06525	0.5
255.23369	7.3
256.23541	0.6
276.11557	0.6
277.21768	2.0
283.63046	0.5
310.37292	0.6
357.19394	1.0
375.20395	1.5
379.11639	0.7
391.22702	0.9
409.24124	0.7
415.15378	1.1
417.17380	0.5
419.18927	1.9
430.14511	2.0
431.19730	3.8
432.19455	0.9
433.20398	1.5
437.00204	0.5
444.15805	0.7
445.15961	2.7
446.17014	1.0
458.17624	3.8
459.14032	1.0
459.19260	1.0
472.19351	0.5
473.16000	3.3
473.20816	2.0
474.16788	8.4
475.17557	4.3
476.18231	0.8
487.17947	1.6
488.18582	6.3
489.19376	5.9
490.20300	6.3
491.20660	1.1
501.19647	1.8
505.22733	4.2
506.22574	0.8
512.18549	0.9
515.17407	0.7
516.17969	2.0
517.18744	0.6
526.20215	0.9
529.18646	0.9
530.19403	0.9
531.20422	0.7
548.20856	2.1
549.21619	3.1
559.23804	1.0
560.20850	1.7
561.23499	0.8
575.23169	12.6
576.23767	8.8
577.24316	1.1
603.22552	1.7
617.34888	0.7
630.18915	0.5
635.25299	100.0
635.41400	6.7
636.25616	23.2
636.33643	0.7
660.82874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38440	0.5
59.01265	1.9
61.98708	1.1
63.02268	0.6
65.00227	1.2
69.03345	0.6
71.01253	0.7
78.95805	3.9
79.66153	0.5
87.00784	0.6
93.03404	0.7
96.95892	0.5
96.96890	0.7
107.01301	2.3
123.00865	0.7
125.02403	0.7
133.02898	2.2
134.30725	0.5
135.04411	1.8
138.12611	0.5
145.02876	0.6
151.00284	6.2
152.01048	0.7
152.99529	2.3
158.03731	0.8
158.74709	0.6
161.02382	4.4
162.02995	0.5
163.03862	0.5
169.01358	0.6
171.04489	0.8
171.10193	2.4
172.01530	0.7
173.04568	1.1
175.04079	0.6
177.01881	0.7
178.99913	3.1
179.03500	1.2
186.03180	2.9
189.01894	2.1
191.03824	0.6
191.05591	4.9
192.00603	0.9
192.62897	0.5
198.03137	0.7
199.03989	2.9
201.01868	0.8
211.03951	0.6
213.01939	0.7
214.02708	7.2
215.03389	1.2
217.01413	1.1
218.02097	1.0
227.03539	1.8
229.01476	0.7
241.01450	22.1
242.02209	11.8
243.03023	4.7
245.00941	22.0
245.03474	1.0
246.01334	1.3
246.63335	0.6
255.00258	0.5
255.03049	1.6
258.01773	1.0
270.01743	50.2
271.02496	35.8
272.02896	2.1
273.00513	1.3
274.01053	0.6
282.01758	0.9
283.02585	1.5
284.03317	1.1
285.04114	0.9
297.03922	0.7
298.01236	38.7
299.01999	48.7
300.02673	8.7
301.03613	6.1
302.04169	0.7
309.20407	0.6
311.02060	1.4
312.02524	0.7
313.03577	1.3
315.19574	0.8
319.22791	1.6
338.04019	0.6
341.03113	0.8
403.06909	4.1
413.31348	0.5
431.06271	100.0
432.06665	9.6
503.20679	0.8
635.25110	75.5
636.14758	0.9
636.25452	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36011	0.6
55.01801	1.3
57.03344	4.6
59.01263	26.8
59.29809	0.7
59.89268	0.6
61.98715	17.0
64.41161	0.7
67.01823	2.3
68.99744	2.8
69.03381	2.7
71.01271	38.1
71.58076	1.3
72.99202	8.5
73.02883	3.4
75.00764	37.8
78.95817	2.0
81.03370	1.7
83.01272	4.0
83.04977	1.1
84.60015	0.8
85.02843	40.8
87.00774	14.6
89.02345	12.3
91.03960	1.4
93.03358	12.2
95.01284	8.3
96.95933	5.2
97.02863	1.1
99.00784	37.6
99.03883	0.8
99.04496	2.1
101.02348	5.4
103.00333	2.9
103.86502	0.7
108.02076	1.0
109.02930	2.9
111.00785	3.6
111.04495	2.2
112.01663	0.8
113.02363	52.1
115.00272	3.4
117.01844	4.2
117.03489	0.7
119.03513	1.1
119.04956	5.0
121.02903	1.2
125.02440	1.1
127.04028	1.0
129.01852	3.9
131.03436	1.3
133.02951	0.9
133.10211	3.0
134.03781	0.9
135.04454	1.2
135.11737	6.9
136.12056	0.9
137.02435	1.9
139.00357	2.1
141.01921	1.7
143.03493	0.7
145.02942	2.2
145.20212	0.8
147.04442	0.8
152.01105	0.8
152.48032	0.7
153.01860	2.0
155.03465	2.1
157.01352	6.7
161.02423	0.8
161.09663	5.1
163.03960	4.4
173.04521	9.4
175.02460	3.9
179.10738	30.2
180.11134	1.4
180.70335	0.7
187.07820	0.9
191.05594	37.4
192.06041	3.0
205.07086	3.5
207.05159	1.5
223.09840	1.0
231.05074	3.5
249.06192	35.9
250.06712	2.0
267.07263	64.7
268.07632	2.7
285.04034	2.3
286.04355	0.8
297.13354	1.1
325.87903	0.8
327.08829	1.0
337.09305	1.9
393.11987	0.9
410.11398	1.8
411.16736	13.5
412.17075	1.3
429.17737	30.7
430.18124	3.4
455.15704	22.3
456.15958	3.0
473.16736	100.0
474.17068	12.4
515.17743	6.1
548.15906	1.3
548.66675	0.9
575.19305	1.0
591.26678	28.4
592.27063	3.9
617.26422	2.2
635.21967	41.2
636.22504	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37527	0.1
54.87338	0.1
59.01263	0.4
61.98713	0.1
67.01787	0.2
69.35128	1.0
71.01270	0.3
74.09350	0.1
75.53423	0.1
85.11266	0.1
89.02337	0.1
93.03358	6.3
94.03722	0.2
97.02860	0.2
98.20617	0.2
107.34727	0.1
109.02834	0.3
113.02358	0.1
121.02870	7.2
122.03215	0.2
127.07559	0.4
135.36482	0.1
137.02374	0.8
138.02802	0.1
139.03940	100.0
140.04280	3.4
147.08073	0.1
161.71820	0.1
165.01888	0.6
173.04518	0.1
175.04037	0.2
181.05037	0.2
191.05536	0.2
191.07103	0.7
193.04987	0.1
205.08698	0.5
255.02901	0.1
283.02390	0.1
283.08484	0.5
283.11108	0.1
301.09348	14.8
302.09717	1.0
331.19202	6.7
332.19485	0.7
349.20209	1.7
350.20627	0.2
399.57556	0.1
463.72617	0.1
615.27686	0.1
633.29187	2.7
634.29504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67096	0.1
53.75601	0.1
59.01264	1.3
61.98711	0.2
67.01780	0.3
67.32404	0.1
68.53455	0.1
71.01260	0.4
78.95792	0.2
85.02831	0.4
87.00788	0.2
93.03362	6.9
94.03690	0.5
96.95916	0.4
97.02835	0.2
98.19827	0.3
101.02337	0.3
113.02351	0.2
121.02876	7.7
122.03244	0.3
124.01611	0.2
127.07545	0.3
134.03630	0.2
135.04465	0.2
137.02388	0.9
138.03023	0.2
139.03943	100.0
140.03206	0.2
140.04276	3.2
161.02364	0.4
163.03996	0.3
165.01912	0.7
165.05453	0.2
173.04498	0.3
179.03510	0.3
191.05539	0.5
191.07150	1.5
205.08705	1.1
216.95607	0.2
221.08199	0.1
229.69328	0.2
253.17700	0.1
281.10291	0.2
283.08212	0.3
301.09357	12.6
302.09647	0.9
306.07727	0.1
313.18271	0.5
317.80853	0.2
331.19232	11.4
332.19562	1.0
349.20172	1.2
528.99860	0.1
547.12317	0.2
633.29364	1.5
633.39038	0.3
634.29285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	0.3
65.03850	0.1
67.01785	0.2
67.19334	0.1
69.28134	0.6
85.02874	0.1
87.82623	0.1
89.02357	0.1
91.21816	0.1
93.03362	5.8
94.03732	0.2
96.02801	0.1
97.02894	0.1
109.02875	0.2
111.04545	0.1
113.02386	0.1
121.02874	7.7
122.03214	0.3
127.07581	0.3
137.02367	0.4
138.03133	0.1
139.03944	100.0
140.04280	3.2
141.04436	0.1
151.58945	0.1
163.35641	0.1
165.01901	0.6
181.05104	0.1
191.05550	0.3
191.07137	1.1
203.14378	0.1
205.08669	0.8
206.09084	0.1
221.08157	0.2
283.08322	0.3
301.09354	12.1
302.09668	0.9
313.18060	0.1
331.19223	8.8
332.19510	1.0
349.20236	1.1
386.22632	0.1
407.27896	0.1
633.29297	1.1
634.29572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01790	0.4
57.03331	0.3
58.00471	0.8
59.01265	100.0
60.01607	1.1
69.03329	0.7
69.49036	1.3
69.49477	1.0
70.24848	0.3
71.01270	20.7
72.99212	1.4
73.02837	24.5
74.03183	0.4
75.00746	0.4
78.95795	7.4
81.03368	0.6
83.01279	7.8
85.02845	2.8
87.00790	1.1
89.02340	7.1
93.03367	0.4
95.01314	1.0
96.95907	0.7
96.96229	0.4
96.96860	5.5
96.97482	0.3
97.02885	0.5
99.00813	0.6
99.04388	0.3
101.02348	30.2
102.02706	0.4
107.36434	0.3
109.02877	0.3
113.02358	10.7
116.92797	0.5
119.03419	4.5
124.35798	0.3
125.02374	0.8
131.03441	3.3
135.04465	0.7
143.03407	3.7
149.03313	0.5
149.04507	7.7
150.58836	0.3
152.03490	0.6
155.03471	0.9
161.02380	0.9
161.04507	11.9
161.05850	0.6
162.04872	0.4
162.25639	0.3
173.04466	0.4
179.03400	0.6
179.05626	0.5
191.05591	2.0
192.06023	0.4
203.05603	1.6
221.06708	3.2
233.09529	6.6
234.09766	0.4
355.14044	2.1
434.60809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49700	0.2
59.01271	1.5
61.98704	0.3
65.03854	0.2
66.02911	0.2
70.54886	0.2
70.55241	0.7
71.01273	0.5
77.01945	0.2
85.02843	0.4
87.00794	0.3
93.03360	77.3
94.03693	3.0
96.95917	1.1
99.23733	0.2
101.02336	0.2
111.04369	0.2
113.02357	0.2
119.04927	0.4
119.46783	0.2
121.02822	0.2
125.65660	0.2
128.51125	0.2
135.04436	0.4
137.02377	100.0
138.02715	4.6
139.02946	0.2
139.03947	0.7
160.01511	0.2
161.02499	0.2
163.03958	0.3
165.01968	0.3
173.04518	0.5
175.73796	0.2
179.03465	0.4
180.04181	0.3
191.05553	1.4
191.07123	4.8
192.07347	0.3
195.06537	0.3
205.08687	3.9
205.10652	0.2
206.09225	0.4
213.07735	0.3
221.08124	0.9
238.47704	0.2
313.17865	0.2
329.17590	0.2
331.19220	32.5
332.19583	3.3
349.20154	0.9
377.16132	0.2
463.27432	0.2
492.44717	0.2
631.27509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21015	0.3
57.03338	0.4
57.40272	0.4
59.01277	2.7
67.36105	0.4
69.03344	0.5
71.01261	2.0
71.38109	0.8
72.99199	17.4
73.02839	0.5
74.24619	0.3
78.95810	0.5
83.01311	0.6
85.02844	1.3
87.00783	0.6
87.09386	0.3
89.02347	1.2
89.03864	1.0
93.03335	1.7
96.95914	1.4
96.96912	0.4
99.00777	1.1
101.02349	1.4
111.00788	0.5
113.02354	3.9
114.08997	0.4
117.03379	3.0
119.04943	100.0
120.05273	5.2
121.02881	1.1
123.00731	0.5
125.02380	0.4
131.03456	0.5
132.02101	2.8
133.02887	1.4
134.03664	35.9
135.04388	3.6
137.02393	2.8
139.03920	0.6
145.02875	2.8
149.06017	5.0
150.06348	0.4
160.01607	10.9
161.02425	3.9
161.06084	0.6
162.03107	1.0
163.03958	70.3
164.04297	3.9
173.04607	0.6
175.03967	12.6
176.04402	0.9
177.05511	1.0
178.02707	6.3
179.03436	4.1
183.56847	0.3
191.05621	2.7
193.05028	25.5
194.05376	1.6
205.04953	0.8
217.04938	0.4
218.70668	0.4
219.06636	0.5
275.08081	0.4
277.07220	1.6
307.08301	0.5
313.03271	0.4
325.09445	0.5
330.00702	0.4
367.11139	0.6
381.08099	0.4
439.12518	12.4
440.12814	2.2
457.13611	65.4
458.13879	8.1
471.23953	0.4
573.73944	0.4
633.18372	19.7
634.18774	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	631.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.2
59.01273	1.3
61.98712	0.7
62.66198	0.1
67.01775	0.2
69.03341	0.2
69.34037	0.4
69.34456	0.9
71.01276	0.5
71.04899	0.6
72.99196	0.2
73.02831	0.2
78.95796	0.2
80.55659	0.1
83.04928	0.6
85.02843	1.0
85.06495	0.1
89.02338	0.3
91.81511	0.1
93.03362	7.0
94.03693	0.3
95.04922	0.1
96.95910	0.5
97.02836	0.4
97.06493	1.8
99.00775	0.2
101.02338	0.4
107.08580	0.2
108.02084	0.5
109.02838	0.4
111.00828	0.2
111.04459	0.3
113.02367	0.4
116.92774	0.2
119.04963	0.5
121.02872	7.5
121.06543	0.2
122.03177	0.2
122.28278	0.1
123.08076	1.2
131.03462	0.3
133.02879	0.3
135.04482	0.2
137.02377	2.4
137.03328	0.2
138.02919	0.2
139.03946	100.0
140.04286	3.5
145.02922	0.2
147.08026	0.1
149.09685	0.3
155.03487	0.2
161.09731	0.2
163.03969	0.3
165.01949	0.6
171.10335	0.1
173.04506	0.2
179.03517	0.1
181.05048	0.4
189.12840	0.5
190.94904	0.1
191.05620	1.3
191.07133	0.2
199.14813	0.1
201.04059	0.1
201.12839	0.3
205.08592	0.2
217.15994	3.5
218.16310	0.3
231.10326	0.2
259.20804	0.2
261.15005	8.1
262.15366	0.5
283.08319	1.0
284.08850	0.1
285.18613	0.2
301.09369	10.8
302.09811	0.8
303.19958	0.3
323.56906	0.1
329.17654	1.9
330.18100	0.3
331.19052	0.2
347.18701	5.2
348.18768	0.6
369.12000	3.6
369.15533	0.1
370.12323	0.3
371.18610	0.3
463.22748	1.0
491.23163	0.3
558.69202	0.2
631.27826	2.5
632.17993	0.1
632.28339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38603	0.1
59.01266	0.5
65.03839	0.1
67.01776	0.3
69.36661	1.1
71.01274	0.2
71.04910	1.1
74.82596	0.1
81.03365	0.2
85.02833	0.2
93.03357	6.2
94.03689	0.3
95.04945	0.1
96.95912	2.2
97.02843	0.1
101.02328	0.1
103.65879	0.1
109.02859	0.3
113.02375	0.2
116.92776	0.4
117.92866	0.1
121.02870	6.9
121.06567	0.1
122.03174	0.3
123.00798	0.3
123.08086	2.0
124.01609	0.3
125.02380	0.3
127.07567	0.2
133.02882	0.2
135.04434	0.4
137.02324	0.7
138.03180	0.2
139.03941	100.0
140.04285	3.4
151.00322	0.1
161.02386	0.4
161.04504	0.2
161.09637	0.2
165.01906	0.7
173.04535	0.2
178.99809	0.1
179.03499	0.4
181.05013	0.1
189.09209	0.4
191.05574	0.7
191.07138	1.3
201.12827	0.1
205.08650	1.1
219.13829	0.2
221.08138	0.2
231.13914	0.2
245.11845	0.2
263.12918	0.3
271.02472	0.7
283.08356	0.4
285.18710	0.2
299.01993	1.3
300.02481	0.3
301.09351	9.4
302.09769	0.6
303.19675	0.2
318.89032	0.1
329.17645	12.5
330.17947	1.3
347.18713	5.3
348.19125	0.5
353.08826	0.4
399.56491	0.1
428.61194	0.1
541.66663	0.1
611.27667	0.1
631.28180	0.7
631.37085	0.2
632.28607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.8
61.98710	0.4
65.03845	0.7
70.87312	0.4
71.01277	0.4
85.02827	0.2
89.02338	0.2
93.03357	80.1
94.03687	2.4
96.95904	0.6
97.02855	0.3
101.02342	0.2
109.02855	0.2
111.04359	0.2
113.02331	0.2
114.41998	0.2
119.04917	0.2
121.02853	0.2
125.02367	0.2
127.07587	0.2
132.06918	0.2
133.02876	0.3
135.04437	0.7
137.02373	100.0
138.02702	3.4
139.03929	0.2
151.00224	0.2
161.02376	0.7
163.04037	0.1
173.04456	0.2
179.03482	0.6
191.05542	0.9
191.07094	5.0
192.07486	0.2
205.08676	3.5
206.09184	0.4
221.08267	0.7
255.03050	0.2
271.02554	0.5
289.57065	0.2
299.02078	1.6
300.02676	0.3
301.03369	0.3
313.03687	0.2
331.19199	30.4
332.19550	4.2
349.20218	0.9
353.09045	0.3
515.11786	0.3
527.59094	0.2
631.27826	0.5
635.11157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72515	0.1
57.03333	0.1
59.01266	2.3
61.98719	1.2
69.56270	0.3
69.56676	1.1
71.01265	1.2
73.02840	0.3
78.19414	0.2
78.95815	0.3
83.01286	0.3
85.02857	0.7
87.00761	0.3
89.02353	0.7
89.79733	0.1
93.03360	19.2
94.03701	0.6
95.01296	0.2
96.95927	0.3
97.02868	0.4
98.19834	0.3
101.02352	0.4
108.02082	0.7
109.02870	0.9
111.00793	1.9
113.02348	1.1
119.04993	0.2
121.02866	0.2
127.07560	0.3
131.03424	0.2
133.02888	0.4
134.03670	0.3
135.04469	0.2
136.01613	1.7
137.02377	100.0
138.02718	4.1
139.03926	0.4
149.04442	0.2
161.02408	0.3
161.04501	0.3
163.03966	0.2
163.11346	0.2
173.04533	0.4
175.04008	0.1
179.03458	0.4
187.07672	0.2
189.12733	0.4
191.05582	1.2
191.07149	0.9
205.08739	1.1
215.07124	0.2
257.08511	0.2
278.42703	0.1
281.06818	0.3
299.07788	5.1
300.07928	0.4
313.18198	3.0
314.18338	0.2
331.19217	6.2
332.19565	0.5
347.18826	0.2
349.20184	0.4
409.14978	0.9
438.88281	0.2
439.32254	0.4
444.74628	0.2
466.91724	0.2
490.11420	0.4
587.24591	0.2
602.27460	0.5
609.58856	0.2
631.27667	14.3
632.28278	2.6
632.38654	0.3
634.87335	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95934	0.1
54.32270	0.1
59.01264	0.4
59.65733	0.1
60.23611	0.1
61.98699	0.2
70.89897	0.4
81.03347	0.2
93.03365	0.5
95.01270	0.2
95.04925	0.9
97.02862	0.5
100.68221	0.1
108.02116	0.2
109.02882	0.3
121.02856	0.4
122.03663	0.9
123.04443	70.9
124.04767	2.3
137.02396	0.5
153.05521	100.0
154.02667	0.1
154.05856	3.9
184.06581	0.1
184.88232	0.1
185.02155	0.3
189.12817	1.7
191.05519	0.1
191.07147	0.4
195.06606	0.3
205.08647	1.0
209.11783	0.2
269.19238	0.3
297.09860	0.5
313.18176	14.3
314.18433	1.4
315.10934	10.3
315.14716	0.2
316.11252	0.7
331.19244	1.5
578.59509	0.1
629.30298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60303	0.1
59.01269	2.3
61.98722	0.7
62.06204	0.1
69.03326	0.3
71.01270	0.9
73.02837	0.2
75.00778	0.4
81.03352	0.3
83.01276	0.2
85.02840	0.8
87.00737	0.2
89.02348	0.4
93.03361	0.8
95.01280	0.4
96.95920	0.2
98.24259	0.1
99.00775	0.3
101.02363	0.4
108.02094	0.5
109.02857	0.5
111.00776	0.2
111.04388	0.1
113.02396	0.8
117.03351	0.3
119.01359	0.3
131.03395	0.2
133.02899	1.2
134.03676	0.3
135.04454	0.3
136.01611	1.1
137.02377	100.0
138.01721	0.3
138.02715	3.7
145.02873	0.6
160.01620	0.4
161.02417	1.1
173.04457	0.2
177.01909	0.2
179.03467	0.6
185.00804	0.2
191.05637	1.0
193.05048	0.2
195.31926	0.2
229.70866	0.2
257.08133	0.2
259.19141	0.8
275.09540	0.2
299.07736	1.6
300.08109	0.3
301.20303	0.4
323.18799	0.2
323.22803	0.2
331.19278	0.3
347.17245	0.3
353.08786	0.2
389.20944	0.3
412.70880	0.2
426.74863	0.2
455.22882	3.3
455.73215	1.2
471.35016	0.5
490.11407	0.7
518.71063	0.2
534.21838	0.2
601.28760	1.2
601.78741	0.6
602.29218	0.4
631.27704	1.7
632.28259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.7
61.98721	0.2
65.03816	0.1
71.01272	0.3
71.58447	0.1
71.58826	0.2
73.02850	0.2
78.95799	0.1
81.03359	0.4
81.80661	0.1
84.83326	0.1
89.02345	0.2
91.01778	0.1
93.03368	1.2
96.95914	0.2
99.00779	0.2
99.67572	0.1
101.02394	0.2
105.03439	0.1
108.02081	1.0
109.02876	0.9
113.02329	0.1
115.86256	0.1
116.92776	1.6
117.01890	0.1
119.03530	0.1
127.07586	0.5
132.02092	0.1
133.02000	0.1
133.02888	0.6
134.03629	0.2
135.04437	0.4
136.01599	1.7
137.02380	100.0
138.02719	3.6
145.02814	0.2
160.01697	0.1
161.02415	0.2
163.04004	0.1
173.04616	0.2
177.01917	0.3
179.03468	0.3
187.07709	0.1
191.05605	0.3
191.07150	0.3
205.08656	0.2
207.10254	0.1
209.11874	0.1
213.05510	0.1
213.14905	0.2
281.06671	0.3
299.07800	5.4
300.08273	0.2
331.19229	0.5
349.20346	0.3
387.08441	0.2
409.15097	1.0
455.73410	0.1
506.07938	0.1
534.21295	0.5
631.27747	20.9
632.28156	4.1
632.38306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98491	0.2
59.01247	0.6
61.98723	0.2
65.03857	0.4
69.35982	0.3
69.36395	1.7
71.01261	0.2
71.04912	0.8
93.03358	84.0
94.03684	2.4
96.95901	0.7
107.38021	0.2
109.02867	0.3
111.04419	0.2
116.15524	0.2
121.06493	0.3
123.08073	5.7
124.08395	0.2
127.07573	0.2
133.02826	0.5
134.03685	0.5
135.04463	1.8
136.04803	0.4
137.02374	100.0
138.02701	3.1
161.02397	1.6
161.09660	0.3
162.02696	0.3
165.01910	0.3
173.04506	0.3
179.03484	1.3
180.03928	0.4
189.09241	0.4
190.72157	0.2
191.05556	0.5
191.07106	4.5
193.05049	0.2
195.06613	0.3
205.08682	4.1
205.12363	0.2
206.09120	0.5
221.08224	0.5
285.18680	0.3
287.79071	0.2
329.17648	30.4
330.18002	2.8
347.18713	2.6
348.19183	0.3
353.08514	0.2
370.68216	0.2
460.90427	0.2
629.27948	1.6
630.27509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.4
66.34934	0.1
71.57750	0.2
75.94358	0.1
81.03355	0.5
89.02312	0.1
91.01791	0.5
93.03368	0.2
101.02344	0.2
108.02084	2.7
109.02865	66.8
110.03205	2.1
137.02380	0.3
146.47867	0.1
153.01881	100.0
154.02223	3.1
191.05634	0.2
201.86028	0.1
227.45154	0.1
297.06015	0.1
313.18240	0.7
315.07257	1.9
327.46146	0.1
331.19211	0.2
361.95386	0.1
513.71667	0.2
629.25677	0.9
630.27167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.3
61.98717	0.2
62.96294	0.2
69.77378	0.6
71.01288	0.2
72.99223	0.1
73.02848	0.1
78.95795	59.6
85.02840	0.1
87.00795	0.1
93.03368	0.2
95.96090	0.1
96.96866	50.0
101.02321	0.1
119.04948	0.6
135.04480	0.2
137.02351	0.1
148.99921	0.1
149.84483	0.1
150.03159	0.1
163.03969	0.4
171.00876	0.1
173.04544	0.2
178.02672	0.1
179.03394	0.1
187.07639	0.1
191.05589	0.6
233.09500	100.0
234.09830	5.1
249.08971	0.2
395.19342	0.2
629.23547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.4
61.98712	0.5
65.03851	0.2
66.37760	0.1
69.03362	0.1
69.76856	0.7
71.01276	0.4
78.95809	0.1
81.03355	0.3
85.02846	0.3
93.03359	9.9
94.03690	0.3
101.02363	0.1
108.02053	0.6
109.02885	0.7
113.02296	0.1
119.01284	0.2
119.03423	0.1
123.08067	0.2
134.03664	0.1
135.04451	1.2
136.01575	1.3
137.02377	100.0
138.02713	2.7
163.03943	0.2
173.04471	0.2
183.10234	0.4
189.09225	0.1
191.05565	0.4
208.12961	0.1
209.11847	0.4
217.16040	0.5
259.20700	0.1
281.06747	0.5
299.07803	5.0
300.08194	0.4
303.19757	0.4
329.17709	0.4
347.18735	1.2
629.26166	15.0
630.26459	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	629.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01138	0.4
59.01265	3.4
61.98706	0.8
63.83704	0.3
65.07092	0.3
71.01273	1.2
71.56116	0.5
72.86248	0.3
73.02826	0.4
85.02835	0.7
93.03348	0.7
101.02364	0.5
105.03345	0.6
106.86431	0.4
109.02896	0.4
117.03387	0.6
121.02794	0.3
132.02083	2.3
133.02882	35.9
134.03345	0.7
135.04448	10.4
137.02382	0.8
139.03963	0.4
159.04497	0.8
161.02391	100.0
162.02722	4.8
173.04488	0.5
179.03441	6.8
191.05594	2.7
203.03520	0.6
222.28087	0.4
337.03665	0.8
381.08408	0.6
447.35385	0.3
543.25787	1.9
544.25708	0.4
577.93231	0.4
585.27167	62.4
586.27563	9.3
630.41077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	3.2
61.98720	0.3
69.30664	1.9
71.01281	0.9
72.99213	0.3
73.02835	0.3
85.02835	0.3
86.34873	0.2
88.73987	0.2
89.02377	0.4
89.03831	0.2
93.03364	0.3
96.95924	0.5
101.02356	0.7
105.03378	0.6
115.01824	0.2
117.03371	0.5
123.04449	0.3
126.42168	0.2
132.02098	2.3
133.02887	37.2
134.03284	1.3
135.04457	9.4
136.04794	0.4
137.02368	0.6
139.03943	0.3
141.49782	0.2
149.02370	0.2
154.38322	0.2
159.04494	0.7
161.02397	100.0
162.02734	4.6
162.03989	0.3
178.02774	0.2
179.03465	4.8
180.03941	0.2
191.05623	0.8
203.03459	0.5
229.76843	0.2
402.05222	0.2
543.26196	2.6
544.26593	0.4
585.27161	61.1
586.27496	10.7
629.39337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08802	0.1
55.99251	0.1
59.01269	0.7
61.98700	0.1
65.03844	0.2
67.01790	0.1
69.33709	0.1
70.58282	0.2
70.58652	0.2
71.01269	0.4
71.04905	0.5
72.99193	0.1
78.95790	0.3
81.03343	0.3
85.02837	0.2
87.00751	0.1
93.03357	17.0
94.03676	0.4
96.95885	0.1
97.02867	0.2
101.95380	0.1
108.02068	0.8
109.02866	0.7
119.04932	0.3
121.02827	0.1
123.08086	0.9
127.07512	0.2
133.02887	0.3
134.03716	0.2
135.04445	0.6
136.01604	1.1
137.02374	100.0
138.02713	3.5
145.02867	0.4
152.99527	0.3
155.03464	0.2
161.02399	0.5
161.04599	0.1
163.03943	0.4
173.04538	1.0
175.03902	0.1
179.03424	0.4
179.99832	0.1
189.09125	0.3
191.05713	0.7
191.06963	0.7
205.08635	0.5
219.13980	0.2
227.50998	0.1
245.11964	0.1
263.12946	0.1
281.06665	0.3
291.82852	0.1
299.07776	6.8
300.08151	0.4
319.08224	0.4
320.08386	0.1
329.17630	1.4
330.17621	0.1
337.09525	0.2
347.18695	0.9
353.08813	0.4
409.15231	0.9
410.15451	0.1
449.14594	0.1
467.15311	0.1
483.13275	0.9
484.13489	0.2
629.26172	11.4
630.26501	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	629.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49738	0.1
57.03339	0.2
57.68772	0.2
59.01264	0.9
61.98716	0.8
65.03848	0.3
66.14490	0.1
71.01276	0.6
71.57005	0.2
71.57426	0.2
73.02835	0.2
75.00795	0.2
78.95805	0.2
81.03384	0.3
85.02847	0.4
87.00798	0.2
88.41531	0.1
89.02341	0.2
93.03362	14.8
94.03717	0.5
95.01287	0.7
96.95929	0.2
97.02845	0.2
99.04398	0.2
101.02348	0.3
107.04919	0.1
108.02097	0.8
109.02851	0.9
113.02344	0.3
117.03407	0.3
119.01199	0.1
119.04955	0.3
121.02817	0.2
123.08048	0.2
133.02896	0.7
134.03680	0.2
134.89407	0.3
135.02945	0.2
135.04420	1.0
136.01598	1.2
137.02379	100.0
138.01875	1.8
138.02737	2.5
141.01639	0.2
145.02896	1.0
151.03897	0.2
161.02406	1.3
163.03983	0.5
173.04518	0.4
177.02007	0.2
179.03413	0.4
191.05614	1.4
209.12067	0.1
215.80374	0.1
259.20743	0.3
281.06653	0.3
299.02371	0.2
299.07819	3.1
299.11200	0.2
302.09949	0.1
303.19736	0.2
316.17172	0.1
329.17700	0.3
330.18076	0.1
342.01169	0.1
347.18750	2.4
348.19073	0.2
380.04984	0.2
593.26141	0.5
629.26184	16.3
630.26715	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	629.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
56.62254	0.3
57.03336	0.7
59.01266	8.0
62.78079	0.4
69.03345	1.3
69.38747	2.6
69.39153	0.9
71.01287	2.5
72.99209	1.4
73.01129	0.3
73.02844	1.6
78.95808	0.4
81.03352	0.6
83.01298	0.8
85.02852	4.0
87.00760	2.6
93.03365	3.5
95.01292	1.3
95.04936	0.4
96.51532	0.4
96.95927	1.1
97.02853	0.6
98.20623	0.6
99.00820	0.7
101.02363	1.0
107.04949	0.4
108.02081	52.3
108.12949	0.4
109.02908	11.4
111.00770	1.1
111.04441	1.3
113.02360	2.1
113.03063	0.4
117.03391	0.6
119.04941	2.0
121.02891	1.6
123.00756	0.4
125.02407	0.9
129.01933	0.6
132.02086	0.5
133.02895	1.1
134.03668	12.0
135.04424	1.8
135.08118	0.6
137.02399	2.4
137.09657	2.7
139.03923	1.0
141.01909	0.6
145.02899	2.7
147.04468	5.4
147.13191	0.4
149.06036	3.6
151.03908	1.0
152.01096	100.0
153.01851	8.1
154.02188	0.5
155.03467	0.5
155.10724	32.9
156.11047	2.1
160.01569	1.9
162.03065	0.4
163.03958	5.6
165.05522	0.4
173.04585	2.5
174.04846	0.5
175.03969	3.2
177.01894	0.9
178.02663	5.9
179.03333	1.6
183.03024	0.5
191.05617	6.8
192.05969	0.6
193.05037	15.1
193.06808	0.8
194.05412	1.1
195.08220	0.7
199.09749	6.2
201.04013	8.1
205.91306	0.4
207.02908	0.6
219.05205	0.8
223.07800	0.5
237.09323	0.7
238.09993	4.6
243.05092	2.7
251.10828	1.2
252.07487	0.5
253.12358	2.5
261.06155	2.6
279.06897	0.6
283.02502	0.6
297.06189	0.5
297.11362	0.9
301.03671	0.5
315.07355	2.4
331.08353	1.8
341.10431	2.4
391.10367	4.5
392.10510	0.5
429.10468	10.5
430.10898	0.6
437.10965	1.6
447.11584	0.7
457.13693	0.5
481.15189	1.5
541.16980	2.0
585.23486	2.7
629.21014	80.4
630.21442	15.1
630.32037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83476	0.8
59.01269	5.6
60.78367	0.8
69.03337	2.3
69.72766	4.9
71.01272	2.6
72.99207	4.9
78.95770	0.9
81.03339	1.0
83.01263	1.2
84.92326	0.8
85.02834	2.9
87.00808	1.0
89.02325	1.2
93.03351	3.7
95.01265	2.3
96.95912	27.7
97.02844	1.3
99.00763	1.1
101.02338	1.1
108.02095	2.0
109.02866	3.3
111.00809	1.6
111.04430	1.6
113.02354	1.3
119.04945	1.0
121.02862	3.3
123.00787	10.2
123.04451	2.0
124.01592	23.2
125.02386	19.6
127.03855	1.1
133.02859	4.5
135.04442	13.0
136.04729	0.9
137.02370	3.1
139.11165	0.9
147.04384	2.0
149.02364	1.6
149.99533	38.9
150.03177	0.8
151.00301	1.8
151.03960	2.4
152.01080	2.4
155.03488	1.3
161.02408	6.9
162.05608	1.3
163.03937	1.1
167.03429	1.0
168.00597	86.7
169.01228	7.0
173.04530	6.5
173.56494	0.8
174.05519	1.2
177.01910	4.0
179.03462	9.5
180.03810	1.2
183.10164	1.1
190.04942	0.8
191.03767	1.5
191.05583	23.4
192.01181	1.9
192.05966	1.2
195.02884	1.0
218.04578	1.5
235.07718	0.8
236.05684	4.0
248.03845	2.1
255.23267	3.2
261.05905	1.2
263.03754	0.9
275.06799	1.7
280.60919	1.0
289.01627	0.8
292.02982	1.6
293.03302	1.1
305.56372	0.8
313.05832	0.9
331.06714	2.6
339.05200	0.9
353.08887	8.0
354.09204	2.5
392.10101	1.1
445.09915	1.0
447.11597	1.5
467.08923	1.0
569.13220	1.1
585.12604	1.8
629.21045	100.0
630.21423	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59135	0.1
56.16983	0.1
59.01262	1.1
61.98721	0.3
71.01274	0.8
71.58435	0.2
72.99184	0.2
73.02837	6.8
74.02359	2.0
75.00760	2.4
83.02409	0.2
85.02837	0.6
87.00777	0.4
89.02322	0.5
89.07530	0.1
93.03355	1.1
94.66804	0.1
99.00783	1.7
99.92480	7.5
100.92516	0.3
100.93236	0.2
101.02399	0.2
113.02376	0.4
114.93321	0.3
115.03915	0.3
115.99828	0.2
116.03456	1.9
116.92773	100.0
117.01849	15.2
117.02945	0.9
117.05447	0.8
117.92776	5.4
118.01401	0.2
118.02172	0.2
118.04998	0.1
119.04925	0.2
126.96132	0.1
129.01865	0.4
135.04449	0.5
137.02376	1.6
139.03915	0.2
140.28497	0.1
145.02859	0.2
149.37125	0.1
161.02286	0.2
161.04440	0.2
163.03987	0.3
173.04478	0.3
175.11459	0.1
190.39478	0.1
191.05579	2.5
191.07094	0.2
192.06033	0.2
193.05006	0.3
195.08182	0.3
201.04094	0.2
201.11234	0.2
251.07283	0.2
261.15039	0.2
298.24548	0.1
322.04868	0.2
331.19144	1.3
349.20178	0.6
350.20752	0.2
353.08783	0.2
373.07993	0.4
389.21637	0.3
406.22385	0.4
407.22784	0.3
419.11642	0.3
449.14648	0.1
569.24298	0.2
611.17651	0.3
629.31879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03284	1.1
59.01262	36.6
59.09078	0.8
69.03341	18.1
69.25753	10.3
71.01266	2.2
73.02843	4.9
74.02380	1.3
75.00776	1.2
80.66251	1.0
80.69379	1.0
81.03350	2.2
83.01257	5.3
83.04927	1.8
85.02846	2.4
87.00786	6.0
91.01785	3.2
93.03355	3.4
95.01311	1.9
95.04931	3.3
97.02846	16.8
99.00780	2.0
99.92488	6.0
108.02074	1.5
109.02856	3.0
111.00789	22.1
111.04470	1.5
115.05418	1.3
115.83436	0.9
116.03484	1.3
116.92770	82.0
117.01849	11.0
117.92783	3.6
119.04955	1.4
121.02890	1.1
123.00788	0.9
123.04462	4.2
129.01883	2.5
134.03636	0.9
141.01865	15.6
142.56006	1.1
145.02907	3.5
148.01598	1.7
153.01857	1.0
157.05031	2.8
157.73686	0.9
158.03680	1.3
159.04597	1.2
160.01567	1.0
163.03931	2.6
187.04042	1.6
191.05569	1.9
201.04025	60.6
202.04446	2.1
210.06845	10.6
211.07188	1.2
219.05074	4.8
225.09174	6.9
226.09489	0.9
231.64334	1.1
235.07655	13.1
236.08475	14.7
237.08942	1.8
243.05119	1.2
251.10844	3.2
261.06201	100.0
262.06595	5.9
263.07236	2.6
264.07889	6.2
265.08521	1.5
279.10330	4.1
306.41556	1.0
308.06964	2.3
323.09344	9.5
324.09891	1.1
341.10449	2.2
372.84204	1.1
381.19110	1.2
407.41174	1.0
585.15869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
59.01267	30.1
60.01999	0.6
69.03348	3.3
69.40775	4.6
69.41185	1.3
71.01271	2.1
81.03388	0.9
82.57009	0.6
83.01273	2.0
87.00761	4.7
93.03347	2.6
93.13117	0.7
95.04914	3.0
96.95911	1.0
97.02855	2.6
98.20616	1.5
109.02858	1.7
111.00801	7.2
111.04446	1.1
121.02876	2.4
129.01871	2.0
132.02074	1.9
133.02867	1.9
134.03662	56.0
135.04065	1.6
137.02376	7.9
139.03928	3.2
141.01874	2.0
147.04448	34.9
148.04823	1.4
149.06021	19.4
157.04947	1.2
160.01611	11.8
175.02504	1.3
175.03966	20.8
176.04309	1.6
178.02667	36.2
179.03191	2.9
183.02956	7.3
191.05574	1.3
193.05031	100.0
194.05420	5.0
201.04024	43.4
201.05936	1.6
202.04373	2.0
219.05183	3.4
223.07649	2.6
235.07684	2.0
236.08464	0.8
237.09225	6.0
238.10002	31.3
239.10617	3.6
243.05121	11.9
249.09285	1.2
251.10802	5.8
253.08568	1.3
253.09564	1.3
253.12350	17.4
253.18379	0.8
254.12697	2.4
261.06186	15.9
262.06573	1.4
267.10150	0.7
279.07144	0.7
279.10275	2.5
281.37619	0.7
297.11374	10.9
298.11475	0.8
299.01877	0.9
331.08282	12.5
332.08792	1.0
332.29269	0.8
341.10391	15.1
342.10669	1.6
377.08737	0.7
391.10428	34.8
392.10709	4.9
437.10934	15.9
438.11359	2.2
471.49014	0.8
481.15073	10.7
482.15430	1.0
529.13843	0.8
541.17285	12.3
542.17694	2.8
543.15533	1.3
585.16156	15.2
586.16602	3.5
629.78485	0.8
647.58887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47934	0.9
57.03338	1.6
59.01264	45.2
65.00204	3.2
67.01773	1.2
69.03341	12.3
70.27341	0.9
70.36292	3.5
71.01263	6.1
81.03336	2.8
81.56680	0.9
83.01286	5.2
83.04882	1.0
85.02830	3.2
85.24994	0.9
87.00768	10.2
89.02348	1.0
91.01796	13.3
93.03355	4.9
95.01282	2.2
95.04945	4.9
96.95886	1.8
96.99207	6.2
97.02254	1.4
97.02855	15.2
108.02083	5.7
109.02856	3.0
110.82217	0.9
111.00795	21.8
111.04417	2.9
113.02364	1.2
115.00305	7.4
115.05424	3.3
117.03349	1.7
121.02849	3.1
123.04444	32.8
124.01556	2.3
125.02337	1.3
129.01860	2.2
133.02884	1.5
134.03664	4.1
135.04424	4.1
137.02382	3.0
139.03912	2.1
141.01878	11.5
145.02872	2.5
146.03651	3.1
147.04425	1.2
148.01625	1.8
149.02336	1.8
150.03088	2.0
157.05032	1.4
159.04459	3.4
160.01616	2.2
161.02405	5.4
161.05997	2.1
163.03952	5.0
163.07555	1.4
165.01912	1.4
175.03908	3.3
177.01823	2.7
179.03442	3.2
180.04146	1.1
181.05040	1.9
183.02910	1.9
187.03967	2.4
191.05525	3.4
192.04221	2.9
193.05058	2.5
195.06619	1.4
201.04034	88.9
202.04414	5.9
207.06674	4.7
210.06865	17.6
211.07184	1.8
219.05060	8.0
219.08151	2.7
222.06963	2.2
225.07384	1.2
225.09271	12.7
234.06870	1.8
235.07648	35.0
236.08426	20.0
237.09068	4.4
238.09953	2.4
239.10909	1.4
243.05132	20.3
244.05312	1.2
247.07666	4.3
249.09261	2.1
251.11197	4.4
253.12456	5.2
261.06204	100.0
262.06528	6.3
263.07248	10.6
264.07938	29.3
265.08374	4.2
279.10324	25.2
280.10596	2.5
308.07031	2.8
323.09323	43.2
324.09589	3.9
341.10373	37.4
342.10651	5.1
359.06219	7.1
385.67374	0.9
433.15112	1.6
459.24612	1.3
467.15637	1.2
479.11960	1.6
541.17133	1.7
542.17200	1.1
553.12177	0.9
585.06824	0.8
585.16211	19.8
586.16687	4.0
629.22351	1.9
629.28491	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	629.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	0.7
59.01266	35.6
60.01605	0.5
60.29718	0.5
60.44603	0.6
60.99179	0.7
61.91768	0.5
61.98718	3.7
65.00208	5.6
65.03851	0.9
67.01775	1.0
69.03347	13.8
69.58822	0.6
71.01273	5.9
71.56889	0.8
72.15038	0.5
72.99186	3.8
73.02852	1.0
78.95796	10.5
81.03344	1.7
83.01278	4.8
83.04916	1.7
85.02850	3.8
87.00777	8.7
88.98714	1.5
89.02328	1.2
91.01800	14.5
92.02127	0.8
93.03358	5.4
95.01291	1.5
95.04939	4.4
96.00794	0.6
96.95923	1.1
96.96880	7.1
96.99224	1.7
97.02853	12.7
97.06482	4.1
99.00800	0.7
99.04428	0.7
101.02360	1.5
108.02100	5.9
109.02872	3.5
111.00801	17.9
111.04412	2.2
112.56267	0.6
113.02340	2.2
115.00291	4.7
115.05449	3.4
115.07545	1.0
117.03367	2.4
119.04951	7.9
121.02842	1.9
122.03677	1.2
123.00793	1.1
123.04452	31.2
124.01572	2.4
124.04750	1.3
125.02377	0.8
127.03899	0.6
129.01877	2.9
133.02879	1.3
134.03677	11.6
135.04404	2.1
137.02383	2.4
139.03949	1.5
141.01877	9.8
145.02881	5.1
146.03735	2.6
147.04428	2.3
148.01584	1.6
149.02394	0.9
149.06021	3.8
150.03131	0.9
151.08720	1.2
152.01062	1.2
153.01894	1.1
153.05505	0.7
157.05023	2.6
158.03644	1.4
159.04512	4.2
159.06593	4.0
159.07776	0.8
160.01588	1.8
161.02402	1.7
161.06027	1.3
162.03160	0.6
163.03957	7.8
164.04387	0.6
165.05533	0.9
167.03455	0.9
172.98239	0.6
173.04506	3.4
173.05936	0.9
175.03902	1.6
177.01956	1.0
178.02704	3.8
179.03488	1.5
183.02983	1.2
187.03995	1.8
189.11288	1.7
191.05591	11.4
191.07260	0.5
192.05923	0.9
193.05037	11.3
194.05504	0.7
201.04033	96.6
202.04378	3.9
210.06865	10.2
211.07458	2.0
217.01459	1.6
219.05148	7.6
219.08145	1.7
220.05513	0.8
222.06889	1.0
223.07690	0.8
225.09216	6.3
232.03876	1.1
233.09515	7.0
234.06894	1.4
234.09326	0.6
235.07671	26.6
236.08440	16.7
237.09096	2.0
238.09947	2.5
239.10777	1.2
243.05135	8.4
244.05510	0.7
247.07695	2.2
249.09184	3.4
251.10965	2.9
253.12416	2.1
261.06219	100.0
262.06616	5.2
263.07208	10.7
264.07986	28.0
264.10330	0.4
265.08429	4.6
279.10330	20.3
280.10715	2.0
287.09262	1.1
295.09772	1.4
297.11456	1.1
301.81082	0.6
308.06873	3.8
323.09344	22.3
324.09723	3.0
341.10385	28.0
342.10706	2.8
359.06335	2.9
363.17093	0.8
365.10297	0.7
381.18091	1.6
439.12296	0.8
451.37479	0.7
457.13266	1.2
469.13831	1.5
487.14810	2.6
543.15497	1.0
585.16235	14.8
586.16699	2.5
602.01740	0.7
629.21100	14.9
630.21411	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	628.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
57.03335	0.4
59.01265	63.7
60.01612	0.8
61.98716	100.0
69.03339	0.3
69.25423	0.7
69.25832	1.8
69.77460	0.2
71.01270	9.7
72.99199	0.5
73.02833	2.9
78.95808	0.3
81.03354	0.3
83.01296	1.3
85.02842	5.6
86.85923	0.2
87.00784	0.8
89.02333	2.4
90.87550	0.2
93.03367	3.6
95.01268	1.1
96.95885	0.7
97.02827	0.7
99.00784	1.4
101.02351	5.9
109.02814	0.7
111.00810	0.3
111.04361	0.3
112.01539	0.5
113.01660	0.3
113.02361	5.2
119.03412	0.6
121.02824	0.9
125.02340	0.6
133.02821	0.8
135.03493	0.3
135.04417	1.4
137.02373	11.2
143.03384	0.5
152.01006	0.3
152.99435	0.5
159.02902	0.4
159.34198	0.2
161.02463	1.8
161.04482	2.2
162.02675	0.3
173.04430	0.4
179.03317	0.8
191.05554	1.2
208.56071	0.2
227.28535	0.2
245.95380	0.3
273.21979	0.6
299.19897	0.4
299.50650	0.2
317.21295	7.4
318.21320	0.6
319.28070	0.2
326.25259	0.2
329.17401	0.3
333.20499	0.3
353.08517	0.4
461.25540	28.7
462.25931	4.2
479.26596	12.0
480.27170	1.7
521.27655	14.4
522.28021	1.7
628.28253	1.4
629.26685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.5
59.01266	45.5
59.78564	1.0
63.03484	1.1
65.00213	4.7
65.03856	1.5
67.01760	2.3
69.03354	14.4
71.01263	5.7
73.02868	1.7
78.95808	10.3
81.03355	2.1
83.01279	6.1
83.04932	1.9
85.02863	6.3
87.00765	11.5
91.01796	19.4
93.03367	15.6
94.03726	2.1
95.01276	2.0
95.04935	4.3
96.95921	4.5
96.96848	5.9
96.99216	3.2
97.02854	16.7
97.50919	1.1
98.19785	2.4
101.02363	2.5
108.02100	5.1
109.02854	5.0
111.00797	22.4
111.04437	4.9
113.02377	2.9
115.00290	3.1
115.05441	3.5
115.70423	1.2
117.03387	3.0
119.04955	5.5
121.02868	1.7
123.00810	2.1
123.04452	32.8
124.01613	1.9
129.01872	3.7
133.02864	3.8
134.03670	5.2
135.04445	6.3
139.00237	1.6
139.03978	2.1
141.01888	14.8
145.02892	9.1
146.03676	1.8
147.04453	3.3
148.01569	1.5
157.04996	2.6
158.03645	1.3
159.04448	3.1
160.01627	2.2
161.02417	7.8
161.06003	1.4
163.03954	7.1
173.02411	1.1
173.04536	7.4
173.05876	1.5
175.03952	1.8
179.03502	4.3
183.02829	1.8
187.03969	2.4
191.05591	25.5
192.05971	3.0
193.04999	2.7
201.04039	100.0
202.04424	4.3
210.06839	11.1
210.08603	1.7
211.07506	3.3
217.01456	1.5
219.04999	6.7
219.08171	2.6
225.09215	8.3
227.03462	1.7
229.67628	1.5
232.03865	1.8
233.09499	8.0
235.07655	32.6
236.08383	18.6
237.09067	4.5
238.09912	1.5
243.05142	7.9
247.07748	2.2
249.09230	2.3
251.10785	4.7
253.12317	1.8
255.03021	2.3
261.06226	99.6
262.06531	5.4
263.07202	13.5
264.07974	26.2
265.08517	3.8
279.10272	20.6
280.10663	2.4
284.03247	3.1
285.04102	3.9
301.45764	1.2
308.07043	5.6
323.09317	21.5
324.09665	3.1
331.65506	1.2
335.16559	1.1
341.10379	23.0
342.10770	2.4
359.06320	3.5
365.19922	2.1
393.21414	1.6
394.21597	3.7
395.22043	2.1
457.34418	1.3
535.90887	1.3
585.16522	12.7
586.16083	1.8
593.15271	5.4
593.85474	1.3
606.67059	1.4
629.22522	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	23.0
59.01572	1.1
61.98723	4.4
64.45261	0.5
64.75455	0.5
67.98950	0.5
71.01274	13.5
71.50710	1.0
71.97289	0.5
72.01611	0.5
72.99190	0.9
73.02850	3.1
81.03352	0.8
85.02850	2.1
89.02341	21.5
93.03370	2.0
97.02893	0.6
97.06484	1.9
99.00791	7.4
101.02351	8.8
108.02055	1.0
109.06485	1.1
111.04362	0.5
113.02361	2.1
119.03371	0.6
123.04395	0.6
125.02365	2.6
127.07574	14.7
131.03423	3.5
133.02895	0.9
134.03693	0.7
135.04440	0.7
137.02402	1.2
138.01907	11.7
138.02895	0.9
143.03453	0.5
149.04507	13.0
161.02403	0.9
161.04494	0.9
165.12750	2.5
172.05219	0.7
173.04535	1.1
173.32222	0.5
179.03470	1.1
183.13907	7.5
189.12819	2.2
191.05629	3.7
213.14993	1.8
215.07216	0.5
221.06688	1.3
233.06766	1.1
251.07686	1.1
255.03082	1.0
271.20767	3.3
289.21820	37.7
290.22177	4.2
293.08774	4.1
311.09683	1.6
331.19220	0.6
333.20801	100.0
334.21124	11.4
357.20819	2.0
432.11316	0.9
461.25775	0.6
567.28046	0.7
627.30560	8.8
628.30640	1.4
643.54279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.28
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
57.03341	4.2
58.17627	0.9
59.01266	8.0
61.98716	3.3
71.01271	3.2
71.57487	0.8
73.02834	1.3
74.76167	1.0
78.95797	41.9
83.04948	0.8
85.02814	1.8
89.02344	1.1
93.03328	1.5
94.35535	0.8
96.95922	2.1
96.96881	7.9
99.04430	1.7
101.02373	1.7
103.09644	0.8
110.89509	0.9
113.02385	1.5
113.09628	2.2
121.02866	1.9
125.02382	1.4
125.09666	0.8
129.09138	2.7
133.02910	1.3
134.03627	2.0
137.02377	2.9
139.11223	1.8
145.02867	1.5
149.02422	1.3
150.03149	1.2
150.97913	1.0
151.07593	1.3
152.99536	48.2
153.99843	1.0
161.02397	2.7
165.05482	2.3
169.12274	1.2
171.10257	4.5
173.04556	1.4
177.34320	1.0
179.03505	2.0
179.05235	0.8
181.12325	2.3
183.13835	1.0
191.05562	3.8
191.07109	1.8
195.06590	3.9
197.04526	3.7
197.11804	5.6
199.13341	2.1
205.08684	1.7
211.13365	8.0
223.00166	3.7
241.01227	19.8
259.02203	1.6
293.21289	7.8
294.21689	1.0
311.22382	18.8
312.22528	2.6
312.98566	0.9
315.05051	6.5
331.19244	6.2
332.19684	5.1
385.41959	1.0
417.15634	1.2
465.22879	1.1
565.20996	3.2
583.29547	0.9
627.28009	100.0
628.28351	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	627.304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81049	0.4
55.01793	0.4
59.01267	100.0
60.01603	1.3
61.98720	28.1
71.01279	5.0
71.66454	0.4
72.75938	0.3
72.98058	0.3
73.02854	1.6
75.00798	0.5
78.95826	0.3
83.01292	0.6
85.02849	2.8
87.00777	0.6
89.02369	1.4
93.03365	1.4
95.01271	0.8
96.95911	0.8
98.19788	1.7
99.00802	0.4
101.02320	2.2
105.03390	0.5
106.17036	0.4
109.02924	0.4
109.22303	0.5
113.02372	2.5
113.33089	0.4
119.04965	0.6
125.02338	0.4
133.02890	0.5
134.03714	0.6
135.04489	0.9
137.02328	0.8
143.03484	0.7
151.03949	1.6
152.99597	0.4
161.02397	9.8
161.04530	1.3
162.02686	0.6
173.04549	0.6
176.04744	9.1
177.05173	0.4
179.03468	17.0
180.03806	0.9
191.05701	2.0
191.07065	2.4
194.05824	23.2
195.06169	0.9
209.08186	84.6
210.08487	5.1
212.46913	0.4
213.14967	4.1
214.15195	0.4
230.11676	0.7
317.21246	1.6
461.25604	12.2
479.26666	4.6
521.27716	6.3
530.25256	0.8
530.75183	1.8
627.25647	0.6
627.37225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86042	1.0
51.31109	0.8
51.45545	0.9
52.08013	0.9
57.03352	5.9
59.01269	11.8
61.98708	1.6
71.01279	2.9
71.57439	1.0
78.95795	39.9
85.02837	1.9
89.02357	1.6
93.03333	2.3
96.95913	2.5
96.96873	9.3
99.04409	3.9
101.02343	2.7
109.02851	4.5
113.02365	1.6
113.09619	2.0
119.04892	1.1
123.08001	1.6
125.02337	2.0
125.09618	2.1
127.28641	0.9
129.09120	2.3
133.02898	1.6
134.02379	1.2
134.03583	1.7
135.00812	4.9
137.02338	1.1
145.02884	1.1
149.02490	1.4
149.12990	1.1
152.99535	48.8
153.01837	14.3
161.02454	1.3
169.12306	2.3
173.04446	2.0
176.51363	1.1
181.12314	2.5
183.13870	2.2
187.09702	3.2
191.05536	3.3
193.12234	1.1
194.81580	0.9
195.06509	1.2
197.11858	7.2
199.13342	3.2
211.13380	9.7
223.00098	6.7
241.01225	16.3
248.12384	1.1
259.02658	1.0
293.21292	6.7
297.06213	1.9
299.01791	1.3
311.22363	16.7
312.22586	1.3
315.04828	4.9
329.17636	2.8
331.19226	1.2
347.18631	2.7
456.02100	1.0
483.29532	1.2
582.74945	1.1
583.30231	1.1
627.27942	100.0
628.28119	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	627.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
57.03055	1.0
57.03342	39.6
59.01268	100.0
61.46857	0.7
65.34318	0.7
69.03345	1.0
71.01271	19.7
71.62843	1.3
72.99194	1.5
73.02843	6.1
75.00738	0.9
78.95795	17.7
79.95615	1.0
80.96423	6.5
81.03372	1.1
83.01283	3.5
85.02844	11.5
87.00780	3.2
88.98725	1.7
89.02332	3.6
93.03358	5.5
94.98016	1.5
95.01300	2.3
96.95931	2.9
96.96874	11.4
97.02850	1.7
99.00813	3.0
99.04424	33.5
101.02354	23.6
108.02079	0.9
109.02869	1.5
111.04458	1.1
113.02350	8.8
117.03388	1.5
119.03389	0.9
119.04921	3.7
125.02377	14.0
125.03252	1.1
125.43553	0.7
127.07557	1.1
129.01779	0.7
133.02904	1.7
134.03668	7.8
135.04485	1.6
137.02327	0.9
143.03461	3.7
145.02931	2.9
145.12309	1.3
149.06076	2.5
152.01083	1.1
155.03445	1.0
159.02956	1.8
160.01643	4.5
161.02429	1.2
161.04504	9.8
163.03999	3.4
164.98630	1.1
171.06584	1.8
173.04552	4.4
175.03996	5.0
177.05508	3.4
179.03473	1.4
191.05608	15.6
192.05991	0.9
193.05048	6.0
195.06628	0.9
225.00819	2.1
233.09537	11.9
234.09892	1.8
237.07811	1.2
249.13509	9.9
250.13994	1.2
267.07208	0.7
271.02576	1.5
285.04175	0.8
289.16660	3.7
291.14536	6.6
307.17715	14.7
311.11438	7.8
312.11923	0.9
315.11014	2.7
327.09122	1.4
331.17947	2.5
349.18719	28.5
350.19257	2.8
393.17648	27.0
394.18304	2.8
433.57220	0.8
435.11148	1.2
455.47943	0.9
489.48831	0.8
627.17871	1.0
627.27020	11.1
628.20270	1.4
628.29138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86989	0.5
57.03347	1.8
59.01261	4.8
61.98710	1.1
63.71837	0.7
69.03342	1.3
71.01273	2.9
71.61207	0.7
72.98783	1.0
72.99199	17.0
73.02831	3.2
74.02378	0.5
75.00769	0.8
78.76167	0.5
78.95844	0.5
83.04942	0.5
85.02829	3.0
87.00771	1.2
89.02348	1.8
93.03380	3.6
96.95921	0.7
97.02885	0.6
97.06464	2.9
99.00795	1.8
99.92472	4.5
101.02337	1.3
108.02122	0.8
108.42378	0.6
109.02892	0.6
111.04433	0.8
113.02375	3.4
115.03979	0.7
116.03448	0.7
116.92778	61.9
117.01867	5.6
117.03416	1.7
117.92782	3.8
119.04947	100.0
120.05264	4.1
121.02866	1.6
123.08074	2.2
125.09648	26.2
126.10001	1.4
133.02840	0.6
134.03667	1.3
135.04451	2.2
137.02357	1.2
143.05057	0.6
145.02895	6.3
147.04428	0.6
150.03194	1.0
159.04364	0.6
161.02408	0.5
162.03183	1.1
163.03963	62.1
164.04305	3.0
165.01976	0.7
169.08723	0.6
173.04567	2.5
174.39880	0.6
175.04016	0.6
175.07521	0.6
177.01880	1.2
179.03487	1.1
185.05827	0.5
187.09735	20.5
187.79164	0.6
188.10149	0.8
191.05553	8.9
191.07115	0.9
192.05861	0.8
193.04948	1.2
205.05074	1.3
211.07661	0.6
219.06723	0.7
277.07275	1.2
285.04245	1.1
321.84982	0.5
325.09573	0.7
327.08643	0.6
361.87558	0.5
431.64044	0.6
439.12552	10.1
440.13171	0.9
455.11877	0.8
457.13574	12.3
458.14041	1.3
463.18060	0.8
627.23041	70.4
628.23395	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	627.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.2
58.00463	0.2
58.45336	0.2
59.01266	3.2
61.04678	0.2
61.70543	0.2
61.98732	0.2
71.01266	3.5
71.16565	0.2
71.16883	0.3
72.99206	0.5
73.02835	1.9
83.01290	0.3
84.96378	0.2
85.02849	1.5
86.60114	0.2
87.00765	0.5
88.07634	0.2
89.02335	1.3
89.03872	0.6
91.05438	0.9
93.03358	3.8
95.01299	0.5
96.95911	0.5
97.02895	0.2
99.00802	0.9
99.74755	0.2
101.02337	2.4
106.04143	0.4
107.04942	2.0
109.02835	0.4
113.02362	1.0
113.89540	0.3
116.42400	0.2
117.03368	1.5
123.04440	0.3
125.02377	0.4
132.02074	1.1
133.02884	17.9
134.03677	8.4
135.04446	100.0
136.04781	4.4
137.02376	3.9
161.02388	46.2
162.02730	2.2
175.04112	0.2
179.03459	55.9
180.03818	2.4
191.03386	0.2
191.05591	0.9
192.04306	0.3
193.05009	0.3
207.06480	0.3
212.74161	0.2
213.14938	0.3
215.45219	0.2
271.02673	0.3
283.75372	0.2
284.62543	0.2
299.02197	0.3
304.14023	0.2
333.19278	0.2
372.93494	0.2
413.11099	2.0
431.12115	0.8
580.77588	0.2
627.26691	68.4
628.27130	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	627.2113
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.75600	0.3
54.37686	0.3
56.92844	0.3
59.01281	0.5
59.03577	0.3
70.60481	0.7
73.02879	1.0
93.03402	0.4
103.76878	0.3
126.37205	0.3
191.05579	0.6
191.10405	0.3
210.20984	0.4
258.92813	0.4
382.92978	0.3
437.12747	1.0
438.13437	1.3
450.13733	0.4
451.14142	1.1
452.15048	4.2
453.15164	0.9
463.17523	0.3
465.16882	0.4
466.16830	0.7
467.16870	0.7
479.17789	0.6
480.14484	0.4
481.15115	8.9
482.15469	2.1
484.13693	0.6
493.15173	1.6
494.16019	0.9
495.16901	16.6
496.17224	4.9
498.15497	0.6
507.17331	1.0
508.18372	2.3
509.18790	1.9
510.18060	0.4
512.13788	1.0
513.14282	0.4
518.15967	0.4
521.14740	0.5
522.15833	0.5
523.17651	1.2
523.19226	1.3
524.20581	0.5
526.15338	0.9
533.18451	0.8
534.19189	0.4
535.16266	1.9
536.17108	3.6
537.17731	0.6
539.16150	1.0
540.16821	3.6
540.24017	0.6
541.15924	0.5
551.19495	44.1
552.19720	11.5
553.17645	0.9
554.17908	1.4
555.18597	0.9
567.18811	0.5
568.16016	1.1
569.16504	0.5
572.15680	3.1
573.15887	0.5
584.23163	0.4
586.17236	2.6
587.17554	0.7
595.18524	8.5
596.18396	1.8
626.27148	0.6
627.21057	100.0
628.21350	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.3
58.00475	4.2
59.01266	82.6
61.98699	4.3
63.20177	1.1
70.35052	5.2
71.01273	63.5
72.99199	8.7
73.02833	3.0
75.00744	1.9
75.65124	1.4
78.95788	1.6
83.01270	3.2
83.04907	2.6
85.02827	13.3
87.00776	9.3
89.02338	100.0
93.03387	6.6
93.03858	1.2
95.01285	2.8
96.95896	5.7
97.02859	2.2
99.00816	1.9
101.01707	1.8
101.02354	36.2
102.02700	2.0
108.02052	3.6
109.02844	1.4
111.04436	2.2
113.02364	23.5
119.02580	2.1
119.03425	37.7
119.04829	7.6
121.02879	1.9
123.04429	2.0
125.02366	3.0
131.03404	4.8
134.03629	2.1
137.02385	1.7
143.03450	10.8
145.02931	7.0
146.03673	1.9
147.04460	2.6
149.04497	4.0
151.03918	4.5
152.01033	3.7
161.02411	22.6
161.04485	11.4
162.03188	27.6
163.03917	6.1
165.05544	1.4
173.04524	5.6
173.05804	1.4
176.04765	10.2
177.05563	24.0
179.03452	22.3
179.05563	35.8
179.07144	2.0
180.04106	3.0
180.05792	1.7
191.03958	2.2
191.05612	26.8
191.07193	4.2
192.05934	2.4
194.05838	25.4
195.06543	8.5
209.08205	43.8
209.11743	15.7
210.08585	2.4
210.12170	10.0
211.12372	4.2
227.12885	3.3
228.13300	1.2
229.14063	1.3
235.07918	1.5
307.06107	4.4
357.12076	8.9
397.13489	2.4
398.13843	3.1
399.13983	3.9
417.15009	1.8
466.21790	1.2
555.34241	1.6
627.18579	2.4
627.31744	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.5
57.03322	0.3
59.01248	1.1
69.03342	0.6
69.55703	0.9
69.56133	1.7
71.01269	2.8
72.99196	1.0
73.02838	0.6
81.03355	0.4
83.01285	0.9
85.02848	3.2
85.64806	0.4
88.73663	0.3
89.00227	1.3
89.02345	0.7
91.01804	0.7
93.03339	0.8
95.01289	1.3
96.95937	0.6
97.02858	0.5
99.00774	0.7
101.02332	0.9
106.00501	1.3
107.01303	4.5
108.02077	52.9
109.02903	8.6
111.00792	0.6
113.02359	1.0
119.04958	0.5
121.02873	19.3
122.03165	0.5
123.00780	1.8
123.04462	0.7
124.01582	2.5
125.02380	0.9
125.68619	0.4
127.00325	0.6
133.02827	0.6
134.03680	0.7
135.04422	1.2
136.98698	0.7
137.02361	0.4
138.03180	0.8
139.00311	0.8
139.03951	5.8
147.04483	0.4
151.00351	0.5
151.03969	0.8
152.01089	100.0
153.01668	5.1
153.05507	12.4
154.05894	0.4
161.02341	0.4
161.04451	0.6
163.03955	3.6
165.01808	0.6
166.02631	0.5
167.03427	1.3
168.00616	4.3
175.03828	0.4
177.01852	1.1
177.05472	0.5
179.03474	1.2
182.02187	1.3
183.02960	27.4
184.03297	1.1
191.05602	2.4
193.05238	0.4
195.06627	0.5
197.04546	16.3
198.04837	1.0
203.81621	0.3
207.02945	0.9
244.08871	0.4
271.02701	0.5
297.06277	0.5
301.03226	0.6
302.03500	0.5
315.07346	1.3
429.10452	19.5
430.10776	1.6
447.11563	6.2
448.12103	0.5
461.13147	0.5
627.15784	80.4
628.16095	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	627.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	3.4
59.01266	7.7
61.98710	0.9
65.68137	0.5
71.01279	6.9
72.99201	1.9
73.02833	2.2
78.95807	6.9
83.01282	0.8
85.02842	4.7
85.87867	0.5
87.00784	1.3
88.98692	3.9
89.02344	2.3
93.03374	3.2
94.89108	0.6
95.01292	1.6
96.95927	2.9
96.96876	4.0
97.02831	0.8
99.00790	1.6
99.04427	3.1
101.02349	3.3
108.02085	55.1
109.02909	11.4
111.00803	0.9
111.04461	0.8
113.02344	3.8
117.03358	1.4
119.04958	3.5
121.02891	1.9
123.00816	0.9
123.04408	0.6
125.02368	1.7
134.03693	1.5
135.04431	2.6
145.02898	2.3
147.04425	0.9
151.03963	1.5
152.01100	100.0
153.01881	7.9
153.09154	6.8
155.03479	0.5
161.02335	1.0
161.04514	1.1
163.03952	7.0
173.04500	2.1
175.03922	0.7
177.01863	1.0
179.03462	1.8
191.05602	7.3
193.05046	1.2
197.08095	0.8
205.56581	0.5
224.64085	0.5
233.09499	6.4
234.09900	2.4
234.12064	0.6
249.13422	0.8
297.06244	0.7
315.07404	1.5
393.17664	2.2
429.10513	13.1
430.10474	1.3
447.11673	6.6
448.11887	0.8
583.20313	11.1
584.20660	1.6
590.08484	0.6
609.18530	0.8
626.28198	2.3
626.78943	4.9
627.19403	87.0
627.28345	4.9
628.19800	15.7
628.29871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69253	0.6
57.03325	1.9
59.01268	22.9
61.98705	0.9
63.13748	0.8
64.16127	0.8
66.26254	0.8
66.95306	0.7
67.01758	0.8
69.03336	1.5
69.36625	0.7
70.48261	3.1
71.01293	5.0
71.04906	1.2
71.89764	0.8
72.99200	1.5
73.02840	3.1
74.25462	0.9
75.00770	5.5
78.95780	1.1
81.03367	1.4
83.01289	4.7
83.01704	0.9
83.04926	1.6
85.02835	4.0
87.00771	4.5
88.98683	1.2
89.02344	1.8
89.03848	2.0
93.03369	6.8
95.01324	1.5
95.04940	2.1
96.95921	1.6
97.02843	4.1
99.00789	1.6
99.04353	0.7
101.02357	3.4
104.02589	1.0
108.02044	1.0
109.02876	3.1
111.00771	3.8
111.04432	3.9
113.02366	2.2
116.92798	3.5
117.03394	12.4
117.24677	0.7
119.04951	63.6
120.05282	2.9
121.02896	4.8
121.06537	1.5
122.03268	0.9
123.04461	1.3
123.08080	2.8
125.02380	1.2
129.01868	8.0
132.01155	1.6
132.02112	24.5
133.02849	3.3
133.06503	1.9
134.03673	53.1
135.04535	4.6
136.01572	1.5
137.02386	5.9
139.03943	2.7
145.02899	39.7
146.03232	1.3
147.04469	2.6
149.06041	7.1
149.09642	2.2
149.72842	0.8
150.03252	1.0
153.05569	1.0
155.03416	1.3
158.03709	3.4
160.01619	100.0
161.02318	7.9
161.06044	3.4
162.03166	2.2
163.03964	59.5
164.04308	2.2
164.07567	0.7
165.01871	2.7
171.08240	0.9
173.04550	2.5
173.06044	3.4
175.03970	79.9
176.04309	4.4
177.05585	1.2
178.02698	8.4
179.03493	4.9
181.04970	0.8
181.06491	1.4
183.03001	6.6
187.11330	1.1
191.05614	8.9
192.04266	1.0
193.05042	29.4
194.05437	1.2
195.08134	0.9
197.06076	2.0
200.04807	1.4
201.04036	2.9
202.02875	1.1
203.07185	1.1
205.05006	3.4
211.07631	1.2
215.07083	1.8
217.05060	6.3
225.05646	1.1
227.07204	1.3
229.08632	1.4
233.08241	3.5
235.06099	1.4
241.08720	1.5
243.05139	1.8
243.10234	1.9
245.08316	1.4
257.08249	1.6
259.09811	2.2
269.08221	1.3
271.06204	2.2
271.09851	4.0
283.02634	1.3
285.04443	1.2
285.07703	5.3
287.06284	0.9
287.09283	4.9
299.16678	0.9
301.07126	1.8
303.08884	1.6
305.06699	3.1
315.08774	1.4
317.17770	1.0
329.06705	6.8
329.17477	1.2
345.16891	1.9
347.08063	2.2
351.21713	1.3
359.07721	1.9
361.16550	4.1
365.08804	8.5
377.08844	3.6
379.17621	6.4
407.09802	3.9
421.18719	1.0
451.14233	4.5
479.13477	1.3
523.12476	9.6
524.12732	1.0
541.13684	2.9
583.14777	64.1
584.15149	10.3
626.34674	4.6
627.34357	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	1.2
59.01260	10.6
61.98695	1.0
63.02284	1.1
66.77276	0.8
69.03318	1.0
71.00951	0.7
71.01275	7.2
71.55518	0.8
71.55899	1.3
72.99157	1.5
73.02817	3.5
75.00751	1.8
78.95755	1.3
79.95596	1.0
80.96371	2.4
81.03352	1.0
83.01270	1.4
85.02839	5.1
85.41197	0.7
87.00294	1.3
87.00761	11.0
89.02322	3.3
93.03384	4.0
95.04932	1.1
96.95928	9.2
97.02841	1.7
99.00770	3.7
101.02318	2.5
107.01273	0.9
107.04941	6.5
108.02066	1.2
109.02818	3.0
111.00817	1.8
111.04404	1.4
113.02335	3.0
116.92728	1.9
117.02686	0.8
117.03365	9.9
119.04942	31.5
120.05262	1.6
121.02837	2.3
123.00809	0.8
123.04426	1.3
125.02299	1.2
129.01845	6.2
132.02090	6.5
133.02000	1.0
133.02893	16.9
133.06456	1.1
134.03735	13.6
135.00735	0.8
135.04465	19.6
136.04765	5.3
137.02315	3.2
137.04944	1.1
137.09596	3.4
139.03951	1.1
143.04893	3.3
145.02881	36.3
146.03177	2.5
149.01186	0.8
149.05959	2.5
151.00237	1.0
151.03886	0.9
155.10716	50.4
156.11011	2.1
157.02884	0.8
158.03667	15.8
159.04289	1.5
160.00259	1.0
160.01598	26.2
161.02391	41.1
161.04498	2.7
161.05870	1.6
162.01540	1.0
162.02733	15.9
163.02864	2.9
163.03967	27.9
165.01730	1.0
165.04031	4.8
169.18971	0.9
171.04395	2.1
173.04591	1.8
173.06013	11.3
174.06459	1.1
175.03949	21.9
176.04404	1.2
177.01868	1.4
178.02625	1.5
179.03459	11.3
180.03754	3.1
181.03867	0.9
183.02882	2.7
183.04385	0.9
187.03912	2.9
191.05495	4.6
191.07076	1.9
193.03572	1.0
193.05045	10.9
198.03209	0.9
199.03972	5.2
199.09738	21.3
201.01888	2.8
201.03963	8.4
201.39850	0.8
202.02582	1.6
205.05045	1.1
215.03416	2.3
217.05046	10.4
219.05049	4.2
227.03363	2.9
229.01488	0.9
243.02928	3.1
255.03122	1.2
271.02533	40.9
272.02762	3.0
277.07205	1.3
285.07547	1.2
287.09109	1.9
299.02017	100.0
300.02438	9.7
305.06787	0.9
327.07318	1.4
329.06659	2.0
347.07697	1.6
353.08893	1.0
365.08829	28.8
366.09021	1.7
377.08707	1.1
395.09607	2.1
407.10275	0.9
419.09656	3.2
427.12338	1.8
451.13861	0.9
453.44189	0.9
479.13950	0.9
541.13477	1.3
564.17346	1.0
583.14307	12.9
583.23834	2.6
584.14581	2.2
626.16138	1.3
626.25464	16.1
627.23724	49.0
628.23480	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	627.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	12.0
58.40326	2.2
59.00282	1.9
59.01266	74.9
67.01781	2.4
68.99715	2.3
69.03333	6.8
69.41357	19.6
71.01268	26.4
71.86205	1.8
72.99211	2.2
73.02828	5.9
77.03854	3.5
78.95800	59.0
80.96404	6.0
81.03355	3.1
83.01283	6.4
83.04919	3.3
85.02843	13.7
87.00775	26.0
88.98705	8.5
89.02337	9.2
93.03360	21.3
94.03692	2.2
95.01278	15.5
95.04939	13.7
96.95914	4.6
96.96867	48.8
96.99221	3.0
97.02857	7.6
97.99999	4.0
99.00785	4.3
99.04436	7.4
101.02343	11.3
101.12579	1.8
108.02058	4.4
109.02861	6.9
111.00797	8.1
111.04450	4.9
113.02352	8.2
113.94570	1.7
115.00282	4.5
117.03392	6.4
119.03501	2.9
119.04950	37.8
120.05295	3.6
121.02853	5.8
123.04455	3.1
125.02351	4.7
129.01875	4.1
129.23515	1.8
132.02095	3.1
133.02896	4.0
134.03668	39.9
135.04413	6.9
137.02347	5.5
139.00327	11.0
139.03929	14.8
143.04971	6.2
145.02890	16.0
145.06509	2.2
146.03618	5.0
147.04431	3.9
147.74176	1.9
148.01689	2.2
148.05165	2.5
149.05997	8.6
152.01103	5.2
155.03476	2.3
158.03696	5.3
159.04486	10.4
160.01552	10.4
161.02299	2.8
161.04524	2.4
161.06020	2.5
163.03969	27.4
171.04430	3.3
173.04506	8.1
173.06027	5.8
174.03246	2.7
175.03986	12.4
178.02667	2.4
179.03416	4.0
179.05658	1.6
183.02946	5.6
187.03937	4.7
191.05602	32.8
191.07169	3.5
193.05064	22.6
197.06013	3.0
201.04080	13.1
201.05609	2.6
207.06580	1.8
211.04114	2.6
217.04984	2.0
219.03146	3.2
219.05101	11.9
225.05547	10.5
226.06363	100.0
227.06763	8.0
233.09508	53.6
234.09863	7.3
240.07921	6.8
241.08743	82.8
242.09001	5.5
243.05046	9.5
249.08978	2.1
250.06329	3.2
251.07231	18.3
252.07925	5.1
253.08586	3.6
276.07938	2.1
278.06061	3.0
279.06720	8.4
280.07422	9.9
281.03101	32.5
293.08316	2.0
295.09882	12.5
306.16119	2.1
313.11050	11.1
316.47137	2.1
321.07767	8.4
324.06433	2.8
337.11014	21.2
339.08832	10.3
341.05234	5.0
357.09824	19.4
358.10080	2.1
363.09018	11.3
381.10019	3.0
391.19693	7.9
392.20071	12.6
393.21545	20.6
523.12634	19.7
524.13031	2.3
541.13562	4.6
567.20782	2.8
583.14343	27.0
584.14447	5.6
627.26599	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	626.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04057	0.7
59.01255	4.6
60.13740	0.6
61.98721	6.5
64.11493	0.7
71.01270	0.9
72.82292	0.6
76.71135	0.6
78.95792	2.6
85.02847	1.4
89.41775	0.6
96.95874	0.8
98.20562	1.6
98.63722	0.6
98.71909	0.6
114.14107	0.7
116.72928	0.7
122.60561	0.7
132.02069	1.1
133.02888	26.8
134.03247	0.9
135.04460	8.7
137.02373	1.2
152.99504	2.2
159.04449	1.0
161.02388	100.0
162.02721	4.7
165.12808	0.8
179.03438	5.5
191.05589	1.7
220.66521	0.8
225.17973	0.8
274.87125	0.7
314.78479	0.8
365.66537	0.7
403.25034	1.3
404.25266	1.2
429.22906	1.1
477.21347	3.5
519.22455	68.3
520.22858	11.1
625.26465	0.9
626.26648	3.6
627.26868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
57.03325	0.4
59.01264	2.2
60.40907	0.2
61.98717	0.6
64.77184	0.2
69.90159	0.8
71.01269	3.9
71.04927	0.2
73.02828	1.3
74.49854	0.2
75.56656	0.1
79.95624	0.2
83.01283	0.5
85.02846	2.2
89.02327	0.2
92.04956	0.6
95.01286	0.2
96.95918	0.3
97.02853	0.2
97.06514	0.8
99.00764	0.4
101.02349	2.0
107.04941	0.2
109.02862	0.2
113.02361	1.4
113.37132	0.2
123.08087	1.0
131.02762	0.3
131.03700	4.8
132.04486	5.4
132.62628	0.2
133.02869	2.6
133.04843	0.2
134.03421	0.2
135.04478	0.8
144.04448	0.4
145.06538	0.3
146.05974	0.2
147.08101	2.1
151.19699	0.2
158.06049	0.2
159.02956	0.4
161.02400	7.5
161.04453	3.2
161.05841	0.3
161.09657	1.3
162.02742	0.4
163.03931	0.2
163.11241	2.8
165.09090	0.3
174.05522	0.6
179.03447	0.7
189.05481	0.3
191.07103	23.8
192.07462	1.3
205.08681	16.8
206.09157	1.7
207.10103	0.2
221.08173	1.9
259.16998	0.2
269.19211	0.8
285.18500	0.3
294.09839	1.0
313.18091	0.4
321.62976	0.2
331.19208	100.0
332.19559	11.8
349.20245	4.9
349.24411	0.3
350.20554	0.7
454.22711	0.2
472.50272	0.2
477.21106	0.3
519.22412	5.1
520.22723	0.9
539.18433	0.2
627.27252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.2
61.98714	5.9
64.70716	0.3
66.43260	0.4
71.01266	1.5
75.00777	0.4
79.95625	0.9
85.02851	0.7
93.03342	0.4
96.95901	0.4
98.19757	0.7
101.02352	1.2
105.03358	0.6
113.02397	0.9
115.01853	0.5
115.78566	0.3
117.03365	1.0
132.02036	1.7
133.02887	33.7
134.03267	1.3
135.04451	9.8
136.04803	0.5
137.02385	0.6
150.01909	0.5
159.04393	0.5
161.02393	100.0
162.02737	4.5
179.03497	7.2
191.05524	0.9
191.07007	0.7
203.03491	0.5
205.08618	0.5
221.08307	0.4
229.69266	0.4
327.78137	0.4
327.82336	0.4
331.19217	3.3
375.89438	0.4
381.08472	1.0
477.21478	3.6
478.21375	0.5
500.19788	0.4
519.22473	73.3
520.22791	10.6
626.26947	0.5
627.27081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2882
Annotation	Tricalysioside D
Peak:m/z	Relative Intensity
57.03315	0.9
58.00438	0.8
59.01267	28.0
59.01540	1.1
61.45401	0.5
61.98724	2.2
69.03307	2.1
71.01276	18.9
71.59135	0.7
72.99141	1.4
73.02853	5.1
75.00729	1.8
81.03327	1.1
81.73674	0.4
82.28815	0.4
83.01263	0.8
83.04901	0.6
85.02853	5.5
87.00736	1.4
89.02344	28.8
90.02637	0.5
93.03319	1.8
95.01250	1.3
97.02859	12.8
97.06453	1.4
98.03173	0.4
99.00783	7.3
99.04377	0.6
101.02354	15.9
102.02656	0.4
107.04934	0.6
108.02010	0.4
109.02860	1.0
111.04404	0.6
113.01644	0.7
113.02361	8.8
114.02643	0.9
115.03898	1.4
117.03339	0.5
119.03374	1.3
122.03673	2.7
125.02380	13.3
127.07566	4.2
131.02643	0.6
131.03439	5.8
133.02823	1.3
134.02791	0.5
134.03671	6.5
135.04347	1.5
135.08064	1.0
137.02354	1.3
143.03435	2.2
147.08054	0.5
149.04509	17.2
150.06821	1.2
155.03404	1.1
159.08086	1.0
160.01582	1.1
161.02339	1.7
161.04474	2.0
161.09636	1.5
163.07564	0.6
165.09129	0.9
173.04504	2.5
173.09637	1.1
175.03853	0.8
177.01866	1.3
179.03441	0.8
179.05408	0.5
179.10677	1.1
181.12357	0.7
187.07614	0.5
187.11302	0.9
189.12836	25.7
190.13171	1.3
191.05542	5.0
191.07108	5.8
193.05031	3.1
203.14342	0.8
205.08688	18.4
206.09160	0.8
207.10219	1.8
209.11888	0.8
221.06602	0.8
231.10219	0.8
233.06581	0.9
237.06618	0.5
243.13899	0.7
269.19131	5.1
275.07513	3.8
279.07233	0.8
281.15536	0.5
283.17001	2.5
285.18619	0.7
287.20343	2.4
293.08853	5.2
293.12195	0.9
311.20297	0.7
313.18179	100.0
314.18527	10.3
331.19244	95.3
331.23520	0.5
332.19583	9.4
349.09448	1.3
355.19315	1.3
367.10300	0.6
371.33887	0.5
373.02405	0.5
373.20337	3.8
385.20288	0.6
403.21509	1.8
439.32227	2.7
440.32898	1.8
448.49536	0.5
455.73123	0.9
463.30930	0.8
504.88348	0.5
528.18634	0.8
624.79761	1.1
625.36670	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	625.2881
Annotation	Tricalysioside D
Peak:m/z	Relative Intensity
55.01773	1.2
56.99701	0.3
57.03340	1.2
58.00478	3.1
59.01266	69.9
60.01608	0.6
61.02859	0.3
61.98719	0.9
67.01752	0.2
69.03344	1.2
69.40247	1.6
71.01271	61.4
72.01617	0.7
72.99199	3.8
73.02838	21.4
75.00758	0.9
80.96429	0.3
81.03359	0.3
83.01270	2.0
85.02847	8.3
85.99953	0.3
87.00787	2.0
88.98724	0.5
89.02339	100.0
90.02686	1.7
93.03367	3.2
95.01283	1.0
96.95930	0.8
97.02847	1.6
99.00784	37.4
99.04408	0.5
100.01134	0.8
101.02349	40.8
102.02692	0.7
108.02113	0.3
108.97796	0.2
109.02873	0.4
111.00811	0.6
111.04473	0.2
113.02358	9.9
114.02695	0.4
115.03912	1.0
119.03423	4.2
119.04941	1.2
121.02879	0.7
123.04402	0.3
124.01550	0.2
125.02369	5.8
129.01909	0.3
131.03430	19.8
132.03760	0.4
133.02896	0.9
134.03691	0.5
135.04466	2.4
137.02386	3.6
143.03456	2.7
148.73349	0.2
149.04501	73.1
150.04846	2.1
155.03508	0.3
159.02914	0.2
160.01636	0.2
161.02432	2.2
161.04494	4.3
163.03972	1.1
173.04539	0.9
175.03989	0.2
177.01976	0.2
179.03424	1.3
179.05617	0.4
187.07652	0.3
191.05586	18.2
192.05936	0.6
193.05031	0.3
203.14346	0.3
205.08707	0.4
221.06667	4.7
222.06952	0.3
233.06686	0.9
251.07767	6.6
252.08063	0.4
275.07861	0.7
281.08984	0.4
293.08771	1.9
311.09894	2.1
313.18057	0.3
331.19269	1.2
382.25061	0.2
413.11008	1.8
449.25598	3.3
450.26273	0.4
457.13840	0.2
493.24615	0.5
505.34076	0.5
581.20703	0.5
581.29779	7.7
582.30200	1.3
624.77393	1.3
625.28845	59.7
626.29199	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	625.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54423	0.3
55.01774	0.8
57.03337	0.6
58.00479	0.8
59.01267	17.0
69.03342	1.2
70.64797	1.1
71.01273	14.5
71.04913	0.3
72.99207	1.5
73.02853	2.5
75.00771	0.4
78.95753	0.3
80.02569	1.4
81.03360	1.9
83.01270	1.4
83.04920	5.9
84.02063	0.9
85.02840	3.5
86.03158	0.3
87.00778	3.3
89.02339	13.7
90.02647	0.3
93.03365	1.1
95.01295	1.0
95.04944	0.8
96.95914	1.4
97.02853	2.0
97.06458	0.3
99.00786	1.3
101.02351	12.2
109.02866	0.4
109.06494	0.4
111.00792	0.3
111.04437	0.4
111.08029	0.4
113.02355	6.2
115.03922	0.3
119.03421	4.7
119.04933	0.8
121.02859	0.8
123.00821	0.4
125.02372	3.8
125.06019	0.6
125.09749	0.3
127.03970	0.3
129.01910	0.3
131.03442	0.9
133.05006	0.6
135.04439	0.3
135.08078	0.7
137.02412	0.5
139.04001	0.4
141.01918	0.4
143.03458	2.1
145.02904	0.4
149.04497	0.7
153.05499	0.4
161.04520	2.9
163.03941	0.6
163.11232	4.8
164.11606	0.5
165.05489	0.3
165.12823	3.0
173.04503	0.9
177.05579	0.3
179.05574	3.2
181.12297	1.0
191.05620	2.7
191.10774	1.2
193.05034	0.7
197.04579	0.9
199.06100	0.3
209.11826	100.0
210.12163	6.6
217.07220	0.4
218.44127	0.4
221.06700	0.9
227.12903	19.2
228.13240	1.3
235.08263	4.3
236.08551	0.3
253.09331	1.0
263.07904	0.4
277.09521	0.5
287.07697	1.3
293.08713	0.4
296.49228	0.3
305.08795	1.3
316.02408	0.4
323.09949	0.9
328.09714	0.4
335.52176	0.3
343.11719	1.6
379.12540	0.5
388.11588	0.5
397.13608	32.3
398.13879	3.1
403.14014	5.9
404.14316	0.9
415.14682	20.0
416.15106	1.6
565.28931	0.4
607.26239	0.3
625.15039	0.7
625.27197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24623	0.7
59.01268	30.8
61.41964	0.7
66.84674	0.6
67.01770	0.9
69.03345	1.5
70.94355	2.4
71.01269	14.1
72.99205	2.4
73.02834	2.4
75.00766	1.5
78.95795	5.3
80.02563	1.6
81.03355	1.7
83.01288	1.5
83.04922	4.6
84.02054	0.9
85.02840	6.6
87.00774	5.4
89.02346	12.1
93.03363	6.7
95.04935	1.0
96.95913	13.7
96.96851	2.0
97.02859	2.4
99.00759	1.6
101.02345	11.7
108.02077	2.1
109.02884	1.6
111.00807	1.3
111.04442	1.3
113.02367	5.2
113.03486	2.1
117.03426	0.8
118.98016	1.4
119.03440	4.4
119.04948	3.5
121.02896	1.1
125.02353	2.7
129.01808	1.0
134.03679	1.4
135.04442	1.6
137.02380	0.9
139.03883	0.8
139.24129	0.7
143.03418	2.3
145.02901	1.5
149.02443	2.0
150.03159	2.8
152.01083	3.9
153.01770	0.8
155.03432	1.0
161.04509	2.2
163.03986	3.6
163.11195	4.4
165.05559	2.8
165.12785	2.7
173.04523	4.4
175.03984	0.8
177.01883	11.0
178.02325	1.2
178.98627	0.7
179.03415	1.2
179.05594	2.8
187.27252	0.7
191.05591	20.5
192.04259	15.8
192.05937	1.5
193.04927	1.7
195.06575	2.7
207.06630	31.4
208.06952	2.3
209.11829	100.0
210.12164	5.0
221.06639	0.8
227.12892	19.5
228.13313	1.2
228.99150	0.7
235.08281	4.7
287.07675	1.7
389.02145	0.8
397.13589	34.5
398.13818	2.3
403.14163	1.7
415.14700	17.8
416.14999	2.1
625.17340	4.4
625.26575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2686
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
59.01251	0.4
60.35912	0.2
73.02825	0.8
85.02845	0.4
93.03320	0.4
93.09724	0.3
97.57030	0.3
99.04423	0.5
99.13984	0.2
122.06112	0.3
133.02849	0.3
134.06024	1.2
152.99602	0.3
165.01910	0.6
180.04248	0.3
191.05640	1.6
193.04868	0.3
195.06572	0.9
197.07248	0.6
210.07855	0.4
211.08701	0.7
211.13501	0.3
213.10320	8.0
214.10612	0.4
215.11826	1.0
223.08826	0.3
230.32744	0.3
237.10313	0.6
239.11897	0.8
265.09821	0.5
267.11505	0.5
277.21817	0.3
297.12421	0.7
299.14032	2.1
307.33914	0.2
311.10556	0.5
314.09454	0.5
316.11105	0.4
318.08936	0.4
325.12051	0.5
327.10175	0.8
328.10901	0.9
329.11597	0.3
340.10995	0.5
341.11594	0.5
342.12460	0.9
343.13113	0.3
344.14099	0.6
345.14691	0.3
346.11978	0.4
346.15744	0.3
347.12607	0.3
350.63736	0.3
354.08655	0.3
355.13626	0.3
356.10425	0.4
356.14197	0.4
358.15894	0.3
360.13477	0.4
361.14404	0.4
368.10117	0.5
369.11011	0.3
370.11691	0.4
370.15848	0.6
372.13461	0.5
383.16556	0.4
384.13449	0.8
385.14377	1.5
390.12070	0.3
391.12964	0.4
398.15366	1.3
405.13904	0.8
406.15048	0.7
416.16455	0.4
418.10892	0.8
419.11060	0.7
419.15909	0.6
420.16565	1.0
421.16803	0.6
432.12137	1.3
433.13046	5.2
434.13528	2.2
435.13916	0.6
435.19037	0.8
439.21643	1.4
445.16574	0.3
447.14694	4.6
448.15527	10.8
449.15985	6.8
450.16913	1.5
461.12241	0.3
462.17648	0.7
463.17865	18.6
464.18304	3.8
465.19577	1.5
471.17593	0.3
473.16431	0.5
475.14194	0.8
476.14951	0.9
477.20013	3.2
478.20041	3.2
479.21027	14.7
480.21173	2.5
487.17615	0.4
489.16180	0.4
490.16873	0.8
491.17346	25.7
492.17679	5.2
493.22571	0.5
503.17572	0.9
505.18649	4.0
506.19617	7.1
507.20392	3.2
508.20999	0.6
519.20227	1.1
520.21246	2.0
521.21405	0.5
523.20056	2.6
524.20331	0.8
525.25269	0.5
537.21436	0.5
538.22382	27.3
539.22906	9.6
540.23456	0.5
551.23700	0.4
552.23578	0.5
561.21802	0.7
565.25073	0.4
593.14783	0.4
593.24170	7.0
594.24432	1.2
625.26819	100.0
626.27118	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	625.2517
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
54.15421	0.3
57.31689	0.3
59.01267	8.4
61.98717	1.5
65.00235	0.4
69.03329	0.4
69.52271	2.8
71.01273	6.2
72.99207	1.1
73.02839	2.1
77.03840	0.3
80.96396	0.3
81.03379	0.4
83.01274	0.6
83.04942	0.4
85.02836	2.2
87.00777	0.6
89.02341	4.8
89.03858	0.4
91.05424	0.5
93.03358	0.9
93.87749	0.4
95.01290	0.8
96.95929	0.9
99.00774	3.9
101.02334	3.4
105.03399	0.4
107.01308	0.5
107.04929	1.9
108.02094	0.9
109.02904	0.8
111.00771	0.4
113.02350	2.4
117.03373	1.8
119.03421	0.8
119.04990	1.6
121.02883	1.1
125.02334	1.0
131.03427	0.9
132.02095	1.8
133.02881	31.3
134.03708	7.3
135.04446	100.0
136.04782	3.7
137.02414	0.9
143.03477	0.5
149.02504	0.5
149.04486	0.5
151.00298	3.3
151.03795	0.3
152.01141	0.6
161.02388	81.0
162.02730	4.5
163.00336	0.4
163.03949	0.9
164.04306	0.5
167.03519	0.4
168.64752	0.4
173.04533	0.5
175.04044	0.5
177.01872	0.5
178.99962	1.1
179.03458	51.5
180.03787	2.5
191.05550	3.8
192.00793	0.5
192.06200	0.3
193.04958	0.6
243.03008	1.4
254.02287	0.4
255.03075	3.2
256.03369	0.6
271.02530	7.0
272.02960	1.3
295.73361	0.4
299.01965	1.6
300.02792	10.6
301.03552	8.7
302.03802	1.0
313.03629	0.5
316.02234	0.7
317.03259	0.4
323.07629	0.7
445.07288	0.6
463.09000	3.0
463.22122	0.7
464.09265	0.5
624.78052	2.2
625.12561	8.2
625.25067	81.5
625.78064	0.7
626.12750	2.1
626.25415	15.6
652.69495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2518
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
59.01267	3.2
69.54462	0.4
69.54864	1.6
71.01273	3.7
72.99207	0.4
73.02836	1.8
80.96415	0.5
83.01302	0.6
85.02851	1.4
85.03288	0.2
86.61169	0.2
87.00784	0.5
89.02348	2.4
89.03860	0.4
91.05434	0.6
93.03336	0.3
95.01276	0.3
96.95914	0.3
99.00771	1.3
101.02344	1.9
105.03363	0.4
106.04186	0.2
107.04930	1.8
113.02370	0.7
115.03982	0.2
117.03358	1.2
121.02888	0.3
123.04446	0.4
125.02439	0.4
132.02095	1.0
133.02888	18.0
134.03697	6.2
135.04453	100.0
136.04790	4.9
137.02400	0.4
150.03227	0.3
158.92096	0.2
161.02393	52.6
162.02728	2.5
176.92830	0.2
179.03465	56.2
180.03812	2.7
189.21112	0.3
191.05603	0.7
193.29517	0.2
236.35023	0.3
271.02603	0.5
300.02908	0.4
301.03616	0.4
311.07343	0.2
331.99762	0.2
404.46271	0.2
588.93115	0.3
625.25146	80.0
626.25531	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	625.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.4
57.03337	0.3
59.01265	7.4
59.23452	0.3
61.98725	0.4
69.57906	0.5
69.58295	1.2
71.01276	5.6
72.18785	0.3
72.99189	0.5
73.02833	2.1
75.00784	0.3
81.11175	0.3
83.01272	0.7
85.02834	2.3
87.00784	1.1
89.02341	5.6
93.03362	0.7
94.27113	0.2
95.01303	0.3
95.04901	0.4
96.95921	1.5
99.00784	3.4
101.02350	2.8
105.03370	0.7
107.04921	0.7
108.02058	0.3
111.00774	0.6
113.02370	1.4
113.03539	0.3
117.03396	1.4
119.03404	0.7
119.04971	0.4
121.90772	0.3
123.04446	0.5
125.02392	0.6
131.03433	0.4
132.02092	1.9
133.02885	33.2
134.03731	2.6
135.04453	26.3
136.04817	1.5
137.02379	0.6
139.03999	0.4
147.04457	0.2
149.04512	1.3
151.00243	0.5
152.01074	0.4
160.01657	0.3
161.02394	100.0
162.02739	4.4
163.03944	0.7
173.04507	0.5
179.03467	14.8
180.03790	1.0
191.05586	2.7
197.02449	0.3
211.07643	0.6
255.03055	0.4
271.02585	2.0
272.02835	0.4
299.01913	1.7
300.02753	2.9
301.03586	1.6
463.08624	1.4
463.22025	0.6
563.17542	0.6
581.29578	0.3
624.77551	0.7
625.25122	64.7
626.25488	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	625.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71929	0.6
53.79251	0.5
57.37215	0.5
59.53487	0.5
65.00217	0.9
65.26295	0.6
71.01280	0.6
71.54761	1.1
78.45578	0.5
85.80439	0.7
93.03368	0.8
96.95878	1.6
107.01271	2.1
109.02862	1.2
121.02872	0.9
149.02432	0.7
151.00291	6.4
175.00275	0.8
178.99815	1.6
191.05717	0.8
199.03969	2.6
201.01949	0.7
201.47124	0.6
211.03952	0.6
215.03473	1.6
227.03549	3.0
239.39015	0.7
243.03015	4.3
254.02287	0.6
255.03055	2.3
271.02527	56.9
272.02994	3.5
285.03741	0.7
289.84372	0.7
299.02023	90.1
300.02631	14.9
301.03580	39.4
302.03989	3.0
313.03424	0.8
343.04565	1.1
462.08133	21.4
463.08893	35.8
464.09387	3.6
505.10016	0.9
552.43256	0.7
625.14240	100.0
626.14563	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	625.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12288	0.4
57.94418	0.4
58.65853	0.4
59.01283	1.7
63.02286	1.1
65.00214	2.1
71.01274	1.1
71.55638	0.8
78.95789	0.4
83.01310	1.6
85.02890	0.9
89.02409	0.5
92.25032	0.4
93.03358	4.4
96.30943	0.4
96.95928	1.0
101.02336	0.6
107.01296	5.8
109.02916	1.1
113.02389	0.6
121.02053	0.9
121.02869	7.5
125.02403	0.6
134.03680	0.4
135.04495	0.8
137.02374	1.0
139.04056	0.4
148.01616	0.5
149.02390	1.2
149.99538	0.4
150.03238	0.8
151.00311	26.9
152.00754	1.5
153.01854	0.5
161.04491	0.4
162.03207	1.7
163.00365	1.3
164.01067	0.6
165.01875	0.9
165.05397	0.6
169.01373	1.0
177.05525	2.6
178.99829	12.4
179.03386	0.4
180.00204	0.6
183.04454	0.8
187.04057	0.8
191.05692	2.2
192.00600	0.5
195.06699	0.7
199.03979	2.3
209.48343	0.5
211.04007	1.0
215.03464	0.6
226.02625	1.0
227.03481	3.3
228.04184	0.5
229.05077	1.2
232.16171	0.4
243.02983	9.1
245.04593	0.5
254.02232	1.0
255.03035	16.2
256.03488	1.0
257.04440	0.7
271.02533	32.2
272.02960	2.7
273.04074	1.8
283.02618	0.6
299.02023	17.3
300.02808	65.1
301.03574	76.2
302.03961	5.9
329.13947	0.6
401.43835	0.4
441.10538	1.8
462.08237	2.8
463.08920	100.0
464.09244	10.8
550.62531	0.4
625.13989	26.1
626.14636	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	625.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90051	0.4
59.01269	2.2
63.02280	0.7
63.57635	0.4
65.00216	2.0
67.01791	0.5
67.46086	0.5
68.99709	0.8
69.71302	1.7
69.71707	0.9
71.01273	2.1
73.02840	1.0
82.00498	0.5
83.01279	1.3
85.02839	1.3
86.71501	0.4
87.00785	0.7
88.39095	0.4
89.02354	0.8
93.03355	0.6
95.01293	2.3
96.95954	0.7
96.99207	0.8
98.19778	0.6
98.54150	0.4
99.00790	1.1
101.02332	1.2
103.30002	0.4
107.01291	3.0
108.02068	0.7
109.02859	4.2
110.00005	5.6
111.00782	4.0
113.02343	0.8
115.43316	0.4
117.03398	0.5
119.01301	0.6
121.02870	2.0
123.00806	4.8
124.01567	2.9
125.02377	2.7
131.03481	0.5
133.02890	1.0
135.00810	0.8
135.04417	0.8
136.01599	1.0
136.98718	1.6
137.02386	1.7
137.99493	2.2
139.00307	9.1
139.03975	0.5
141.01854	0.6
143.04977	0.6
145.02890	1.2
146.03632	0.7
147.04420	0.5
148.01538	0.6
149.02426	2.2
149.99437	0.6
150.99132	0.8
151.00313	12.9
151.04019	0.7
152.01109	4.5
153.01857	1.6
155.04916	0.9
159.04480	1.9
161.02380	2.9
162.03113	0.8
163.00354	3.7
163.04028	0.5
164.01059	2.1
165.01880	1.2
165.05484	0.6
165.99025	8.1
166.99811	5.2
169.01352	1.4
171.04497	2.1
172.01611	0.5
172.05154	0.8
173.02362	0.8
173.05971	0.6
174.03206	1.1
175.03947	2.0
176.01111	0.9
177.01952	0.6
178.99829	12.5
179.03328	0.6
180.00345	0.9
182.02197	0.7
183.02995	0.5
183.04494	1.8
185.02434	0.9
186.03291	0.7
187.03975	3.3
188.04767	0.7
189.01906	1.9
190.02603	1.0
190.99809	1.3
191.03525	0.7
191.05609	1.8
192.00623	0.6
193.01393	1.0
193.98576	0.9
194.99356	0.8
197.02707	0.5
197.04546	1.8
198.03131	1.4
199.03984	5.3
200.04510	0.6
201.01913	2.9
201.05531	1.0
202.02650	1.7
203.03430	3.7
205.01393	1.0
206.99223	2.3
208.00125	2.0
209.00903	0.5
211.03999	1.4
213.01804	1.1
214.02734	2.8
215.03447	4.3
216.00655	0.6
216.04224	1.4
217.01376	0.8
217.05009	1.1
219.02899	0.5
226.02676	1.7
227.03491	7.5
228.04033	1.1
229.01485	1.3
230.02209	1.2
231.03061	3.4
232.03706	1.0
241.01466	1.6
242.02217	5.7
243.03011	11.3
244.03658	1.9
245.01054	0.8
245.04640	2.5
254.02286	0.5
255.03021	10.2
256.03381	1.1
257.00961	0.6
259.02527	5.0
260.03131	1.7
269.26172	0.4
270.01758	8.1
271.02527	49.1
272.03122	8.1
273.04129	3.7
274.04367	0.6
285.04047	0.7
287.02045	15.6
288.02710	8.8
289.03381	2.0
298.01181	2.3
299.02036	43.5
300.02557	6.6
301.03592	3.9
315.01544	3.5
316.02283	68.3
317.03006	31.9
318.03293	2.5
403.13806	0.7
463.09073	1.2
517.12292	0.7
533.79626	0.5
551.73248	0.4
581.15320	1.1
607.13092	3.1
614.13837	0.5
625.14203	100.0
626.14587	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	625.1215
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
55.65131	0.3
59.01261	3.6
63.02274	1.6
65.00203	3.5
71.01267	2.0
71.03193	0.9
73.02829	0.7
83.01268	2.5
85.02856	0.8
89.02338	1.4
91.05454	0.5
93.03378	1.8
95.01303	0.5
96.95914	0.4
99.00769	0.8
101.02375	1.0
106.04135	0.5
107.01297	7.1
107.04940	0.9
108.02077	1.7
109.02881	2.8
113.02350	0.9
117.03374	1.0
119.01289	0.5
119.04932	0.7
121.02866	6.1
124.01546	0.5
125.02372	0.9
132.02072	0.7
133.02879	20.2
134.03719	3.2
135.00795	1.0
135.04448	52.0
136.04761	1.8
137.02376	0.9
139.03989	0.5
148.01608	0.9
149.02397	1.0
151.00304	30.0
152.00735	1.3
153.01817	0.5
159.04442	0.7
161.02388	66.6
162.02721	2.6
163.00352	3.6
163.03978	1.0
164.01076	1.2
169.01332	1.4
173.04584	0.3
175.04036	0.8
178.98247	0.7
178.99852	16.1
179.03452	30.0
180.00201	0.8
180.03787	1.4
183.04501	0.7
185.06133	0.5
187.03944	1.0
189.01746	0.4
190.99808	0.8
191.05693	0.8
192.00540	0.8
193.01410	0.5
201.05612	0.5
203.03436	1.1
211.03995	1.3
215.03625	0.7
216.04251	0.8
226.02687	1.0
227.03496	3.4
228.04045	0.5
229.05086	1.3
239.03571	0.5
243.03017	9.3
244.03456	1.0
245.04510	1.6
254.02277	2.0
255.03024	28.2
256.03439	2.6
257.04556	0.6
271.02539	52.7
272.03018	6.5
273.04092	2.2
283.02567	3.4
284.02957	0.6
299.01959	2.0
300.02820	90.2
301.03558	95.1
302.03928	7.5
323.07803	12.6
324.08133	1.1
433.34409	0.3
445.01636	0.5
445.07852	9.6
446.08206	1.4
463.08908	14.7
464.09015	1.4
625.12048	100.0
625.24823	21.8
626.12445	19.5
626.24915	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	625.1211
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
59.01261	0.9
62.61092	0.3
63.02282	0.3
65.00205	1.7
69.29645	0.3
70.11139	1.5
73.02845	0.3
78.95785	1.3
83.01272	1.1
92.65328	0.3
93.03339	0.6
96.96857	1.3
96.97556	0.3
107.01286	3.6
108.02105	1.3
109.02859	1.7
119.04830	0.4
121.02882	2.4
122.03311	0.3
124.01598	0.4
132.30356	0.3
133.02882	3.2
135.00824	1.0
135.04462	2.4
148.01634	1.2
149.02376	0.5
151.00313	13.7
152.00656	0.5
159.04474	0.5
161.02386	8.1
163.00327	2.8
164.01070	0.9
169.01340	0.9
174.03198	0.3
178.99849	7.5
179.03436	1.4
183.04472	0.4
185.06056	0.4
187.03961	0.8
190.99818	0.7
191.05594	0.8
199.03967	0.5
201.05438	0.4
203.03569	0.5
211.03929	0.9
215.03555	0.6
216.04330	0.7
226.02667	1.0
227.03444	2.4
228.04086	0.4
229.01375	0.5
229.05127	0.6
233.09462	1.3
240.04326	0.4
243.03023	8.3
244.03510	0.9
245.04568	1.5
254.02220	1.9
255.03027	24.6
256.03418	2.7
257.04651	0.5
271.02536	47.3
272.02963	5.7
273.04099	1.4
283.02533	1.7
299.02057	1.5
300.02811	100.0
301.03531	54.0
302.03983	4.0
323.07913	2.0
343.04474	0.4
400.25543	0.3
421.56906	0.4
463.08917	86.1
464.09268	10.9
625.12128	81.2
626.12433	16.5
626.22986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65131	0.3
59.01261	3.6
63.02274	1.6
65.00203	3.5
71.01267	2.0
71.03193	0.9
73.02829	0.7
83.01268	2.5
85.02856	0.8
89.02338	1.4
91.05454	0.5
93.03378	1.8
95.01303	0.5
96.95914	0.4
99.00769	0.8
101.02375	1.0
106.04135	0.5
107.01297	7.1
107.04940	0.9
108.02077	1.7
109.02881	2.8
113.02350	0.9
117.03374	1.0
119.01289	0.5
119.04932	0.7
121.02866	6.1
124.01546	0.5
125.02372	0.9
132.02072	0.7
133.02879	20.2
134.03719	3.2
135.00795	1.0
135.04448	52.0
136.04761	1.8
137.02376	0.9
139.03989	0.5
148.01608	0.9
149.02397	1.0
151.00304	30.0
152.00735	1.3
153.01817	0.5
159.04442	0.7
161.02388	66.6
162.02721	2.6
163.00352	3.6
163.03978	1.0
164.01076	1.2
169.01332	1.4
173.04584	0.3
175.04036	0.8
178.98247	0.7
178.99852	16.1
179.03452	30.0
180.00201	0.8
180.03787	1.4
183.04501	0.7
185.06133	0.5
187.03944	1.0
189.01746	0.4
190.99808	0.8
191.05693	0.8
192.00540	0.8
193.01410	0.5
201.05612	0.5
203.03436	1.1
211.03995	1.3
215.03625	0.7
216.04251	0.8
226.02687	1.0
227.03496	3.4
228.04045	0.5
229.05086	1.3
239.03571	0.5
243.03017	9.3
244.03456	1.0
245.04510	1.6
254.02277	2.0
255.03024	28.2
256.03439	2.6
257.04556	0.6
271.02539	52.7
272.03018	6.5
273.04092	2.2
283.02567	3.4
284.02957	0.6
299.01959	2.0
300.02820	90.2
301.03558	95.1
302.03928	7.5
323.07803	12.6
324.08133	1.1
433.34409	0.3
445.01636	0.5
445.07852	9.6
446.08206	1.4
463.08908	14.7
464.09015	1.4
625.12048	100.0
625.24823	21.8
626.12445	19.5
626.24915	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	624.195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	9.3
61.98718	12.0
69.03333	1.0
71.01281	5.0
71.59785	1.1
73.02838	1.5
79.95627	6.5
80.96424	3.4
85.02844	5.0
87.00780	1.6
89.02328	1.8
93.03334	1.7
94.97993	1.5
96.95918	7.0
97.02854	1.8
99.00800	1.2
101.02344	2.2
109.02861	1.7
111.04405	0.9
113.02363	2.8
117.03365	1.6
125.02330	0.8
128.90071	1.1
129.01802	0.8
132.02104	2.2
133.02878	28.1
134.03691	16.2
135.04491	15.9
136.04822	3.0
137.02396	1.8
149.06023	1.0
150.03156	1.1
150.06430	1.0
160.01610	3.3
161.02388	100.0
162.02754	7.7
173.04585	2.1
175.03932	4.0
176.04251	1.1
179.03464	11.0
180.03824	2.5
191.05641	4.8
193.05032	14.7
194.05368	7.5
195.06584	2.9
225.00780	1.0
251.05284	0.9
257.08209	1.0
271.02441	1.3
271.06787	1.0
300.02747	1.6
353.08694	1.8
414.11346	0.9
426.73080	0.7
430.63980	0.9
455.11859	1.9
456.12485	3.5
475.19867	3.4
476.20056	1.2
497.17499	2.2
517.20898	63.1
518.21124	11.3
539.18195	3.1
581.26672	1.1
582.35699	1.2
624.27344	3.1
625.15881	1.2
625.25275	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	623.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
56.49685	0.3
57.03316	0.4
58.00478	0.4
59.01264	100.0
60.01600	1.5
69.03332	1.7
71.01268	3.9
71.58154	0.5
78.95799	1.1
81.03361	0.3
85.02842	1.6
89.02338	3.1
95.01315	0.8
97.06509	0.7
99.00810	0.3
99.04417	13.4
100.04792	0.4
101.02338	2.9
113.02362	4.7
119.03423	1.8
133.02928	0.7
139.21007	0.3
143.03416	0.9
152.99553	0.3
161.02368	1.3
161.04486	1.7
165.12791	0.4
171.10251	0.4
179.05569	1.0
191.05586	1.4
204.94098	0.3
221.06688	0.6
275.23843	3.7
276.24323	0.4
284.08032	0.3
293.21417	0.4
301.21771	4.7
302.22079	0.5
311.22418	0.4
319.22729	2.4
320.22739	0.3
341.24088	0.3
341.76636	0.3
357.28107	2.3
401.27032	66.3
402.27390	8.4
415.28549	0.6
425.27029	3.0
433.32471	0.4
443.27985	1.8
455.27902	0.7
543.91339	0.3
623.45325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63857	0.1
59.01266	2.9
61.98723	0.3
71.01270	0.9
71.17276	0.3
71.17611	0.2
73.02846	0.4
83.01309	0.3
85.02848	0.7
89.02350	0.3
89.03883	0.2
93.03355	0.3
96.95883	0.4
99.00756	0.3
101.02350	0.9
105.03369	0.4
107.04954	0.3
113.02351	0.4
115.01785	0.3
117.03396	0.6
121.02847	0.3
123.04482	0.3
125.02369	0.2
132.02092	1.9
133.02884	34.4
134.03140	1.4
135.04453	9.4
136.04800	0.4
137.02371	1.0
159.04466	0.6
160.01633	0.3
161.02394	100.0
162.02728	5.1
163.04077	0.3
173.04517	0.2
175.04045	0.2
178.02757	0.2
179.03471	5.3
180.03827	0.3
191.05644	1.6
192.06075	0.2
195.06720	0.4
203.03508	0.6
224.35756	0.2
299.02179	0.2
300.02753	0.2
329.17770	0.2
337.03604	0.3
353.08762	0.3
483.83905	0.2
537.27295	2.8
538.27307	0.5
579.28229	59.5
580.28564	9.9
623.24030	0.3
623.34497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61818	0.2
59.01262	3.4
61.98719	0.8
65.03927	0.3
69.47140	0.8
69.47562	1.2
71.01269	2.7
71.21497	0.2
73.02846	0.7
78.95799	0.6
83.01279	0.2
85.02847	1.2
87.00796	0.4
89.02337	2.4
89.03870	1.0
92.49535	0.2
93.03361	0.7
96.95925	0.5
99.00790	1.3
99.04453	0.3
100.74551	0.2
101.02362	1.8
102.98502	0.4
106.04160	0.4
109.02884	0.5
113.02380	1.1
117.03373	5.4
117.08324	0.2
119.03438	0.4
119.04900	0.3
125.02336	0.2
132.02106	4.5
133.02908	2.8
134.03667	80.0
135.04079	2.9
137.02330	0.3
145.02940	0.3
148.04071	0.3
149.06024	6.5
150.06364	0.3
156.08696	0.2
160.01605	17.1
161.02405	5.6
162.02753	0.8
173.04544	0.7
175.03964	20.7
176.04286	1.0
178.02716	0.6
179.03514	1.1
191.05588	2.6
193.05037	100.0
194.05368	5.2
201.01837	0.3
211.13403	0.2
233.02449	0.2
243.02888	0.3
296.30829	0.2
347.18771	0.2
353.08664	0.3
393.83560	0.2
447.22781	0.7
469.00803	0.2
517.20880	0.8
579.29028	0.4
623.27252	9.8
624.27478	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32228	0.1
59.01266	3.2
59.25654	0.1
61.98714	0.7
65.00240	0.1
70.65645	0.3
70.66010	0.3
71.01270	2.4
72.99207	0.3
73.02828	0.8
73.93898	0.1
78.95814	0.2
83.01286	0.3
83.13054	0.1
85.02844	0.9
87.00793	0.3
88.89966	0.1
89.02343	1.8
89.03850	1.4
93.03365	0.3
96.95374	0.1
96.95905	0.8
97.02849	0.2
98.95543	0.1
99.00793	0.6
101.02338	1.4
106.04169	0.3
108.02119	0.1
113.02357	0.6
117.03380	5.1
118.03693	0.2
119.03422	0.3
121.02805	0.2
128.90082	0.3
129.01837	0.2
131.03442	0.3
132.02109	4.2
132.03104	0.3
133.02887	3.8
134.03670	78.6
135.03944	3.0
137.02348	0.3
143.03433	0.2
147.04474	0.1
149.06033	7.1
150.03151	0.1
150.06372	0.3
160.01619	14.4
161.02406	8.7
161.04543	0.3
162.02727	0.5
173.04567	0.3
175.03976	16.0
176.04269	1.0
178.02655	0.6
179.03506	0.9
191.05597	0.9
193.05048	100.0
194.05380	5.2
299.02075	0.2
329.17630	0.2
365.08777	0.2
429.21475	0.2
447.22458	0.5
473.89899	0.1
517.21033	0.9
579.28302	2.6
580.28546	0.4
623.27209	7.8
624.27545	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03338	3.2
58.00480	0.7
58.44204	0.3
59.01267	17.7
61.98715	1.7
62.23809	0.3
67.01799	0.4
68.99717	0.7
69.03341	1.1
69.71650	2.0
71.01272	24.7
72.01608	0.3
72.99199	5.2
73.02837	6.0
73.19093	0.2
75.00766	21.2
78.95788	0.6
79.95675	0.3
81.03343	0.4
83.01286	1.9
85.02847	18.9
86.03202	0.7
87.00766	5.9
88.98699	1.1
89.02342	13.2
91.88461	0.3
93.03373	1.2
95.01289	1.9
96.95919	7.5
97.02853	1.2
99.00785	15.0
101.02351	5.5
103.00262	0.5
108.02087	0.3
111.00764	0.6
112.01585	0.3
113.02361	18.2
114.02705	0.4
115.00297	1.8
115.03952	0.5
116.01070	0.4
117.01856	1.1
119.03426	1.5
119.04951	2.4
121.02914	0.4
125.02384	2.2
129.01888	0.6
131.03418	1.6
133.02882	0.7
134.03654	0.3
135.04549	0.7
145.05048	0.3
149.04485	1.6
157.01385	0.5
159.10233	1.9
161.02373	1.0
161.04558	0.6
163.03970	2.0
164.04338	0.7
173.04514	1.5
175.02477	1.5
179.03465	0.8
191.05597	5.2
193.05023	0.3
213.82446	0.3
233.09354	0.3
235.04564	0.3
239.05995	0.6
275.08624	0.3
311.07980	0.6
448.80023	0.4
519.31818	1.1
605.24951	0.9
623.25903	100.0
624.26282	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	623.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45420	0.5
55.01755	0.5
59.01265	1.8
61.82668	0.4
62.90492	0.5
69.03341	0.6
69.95008	2.8
71.01267	3.8
72.99194	0.9
73.02849	1.2
85.02853	2.3
89.03841	0.8
95.01331	0.7
96.95889	1.0
97.02895	0.8
99.00797	1.3
101.02347	2.2
108.02081	47.9
109.02255	0.8
109.02886	10.2
113.02361	2.7
117.03387	2.1
123.00851	0.8
123.04427	0.9
133.02896	2.7
134.03667	22.7
135.00877	0.9
135.04466	6.7
136.04770	0.6
137.02429	0.6
143.03532	0.6
149.06003	1.6
151.03973	0.9
152.01093	99.3
153.01759	5.0
160.01636	1.9
161.02391	7.4
161.04478	1.2
163.03960	4.2
164.04439	0.6
175.03973	3.0
177.01897	1.1
179.03462	8.6
191.05609	1.9
193.05034	9.8
194.05362	0.7
207.03027	0.9
271.08191	0.8
297.06052	0.7
299.76788	0.5
315.07150	1.3
401.33295	0.5
429.10486	13.7
430.10806	1.0
447.11533	33.6
448.11722	3.4
484.85977	0.5
528.66125	0.6
564.29712	0.6
601.41852	0.6
623.16333	100.0
624.16821	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52505	0.5
59.01270	3.0
64.05173	0.4
64.34710	0.5
65.00208	1.1
71.01275	1.3
73.02847	0.5
78.95798	9.5
80.58700	0.5
83.01267	0.6
85.02867	0.8
89.02326	1.0
89.66824	0.4
93.03360	1.0
96.96868	7.7
97.02837	0.5
98.19650	0.8
107.01306	1.0
108.02122	0.5
109.06503	0.8
119.04954	2.4
120.05292	0.5
125.02331	0.6
137.02277	0.5
138.05524	0.6
139.03889	0.5
145.02853	0.7
148.01598	0.5
151.00334	3.6
152.01099	0.5
155.04964	0.6
163.00339	1.1
163.03957	1.5
164.04391	0.5
171.04552	0.7
173.04442	0.8
181.05005	0.5
183.04407	0.7
191.05589	2.1
199.04019	4.2
201.01851	0.9
203.03505	0.6
207.10315	2.9
215.03432	2.3
217.05215	0.7
225.11310	2.0
226.02612	1.0
227.03523	5.7
228.04070	0.8
229.01443	0.6
233.09514	14.6
234.09914	1.4
242.02269	3.4
243.03027	25.2
244.03564	2.8
254.02216	1.3
255.03030	15.6
256.03595	1.5
257.04648	3.5
259.06085	0.8
270.01779	3.7
271.02539	44.4
272.03073	6.9
285.04102	7.0
286.04785	2.1
287.05716	1.7
299.02060	39.3
300.02795	39.3
301.03156	2.8
313.03613	1.1
314.04410	36.8
315.05176	100.0
316.05542	7.4
357.06335	1.1
367.38708	0.5
389.18411	0.9
397.13599	0.8
415.14340	0.9
458.13757	1.6
623.16333	94.8
624.16663	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1422
Annotation	CHEMBL233903
Peak:m/z	Relative Intensity
53.80827	0.4
59.01261	3.0
63.02307	0.9
65.00215	0.8
67.01779	0.5
70.87447	1.1
71.01279	2.3
71.99958	0.4
72.55400	0.4
73.02851	1.1
78.95810	0.7
83.01283	1.5
85.02868	1.0
87.00748	0.7
89.02347	1.7
90.74467	0.4
91.97393	0.5
93.03372	0.9
96.95936	2.6
97.26317	0.5
99.00785	1.8
101.02403	1.2
107.01321	2.1
109.02918	0.6
111.04422	0.6
111.39754	0.4
113.02378	0.8
117.03383	3.5
117.58707	0.5
119.04962	4.6
133.02904	1.0
135.00830	0.6
135.04504	0.9
142.99078	0.4
145.02896	17.0
146.03250	0.9
148.01669	0.6
151.00311	7.6
152.01077	0.6
155.04988	0.9
156.28355	0.5
160.01656	0.6
161.02411	3.3
161.06114	0.5
163.00352	0.6
163.03979	2.9
164.01105	0.6
169.01326	0.5
169.02771	0.5
171.04431	0.9
173.04509	1.1
175.03972	0.7
179.03499	1.2
183.04486	1.2
185.02490	0.7
187.03931	1.5
191.05592	3.6
192.05867	0.6
195.84811	0.4
199.04012	5.4
200.04327	0.5
201.01910	1.1
203.03505	0.8
211.03995	0.6
215.03459	2.6
216.04309	0.5
217.05083	0.5
226.02626	0.6
227.03499	8.4
228.04082	0.7
229.01318	0.6
229.04967	0.6
231.03088	0.6
242.02263	2.5
243.03026	23.9
244.03557	2.3
254.02383	1.1
255.03024	21.1
256.03577	2.2
257.04550	3.5
259.06195	1.0
270.01749	3.1
271.02539	43.4
272.03064	6.4
284.03305	4.9
285.04141	9.5
286.04831	3.0
287.05634	2.0
299.02054	50.2
300.02771	39.0
301.03262	2.9
307.08368	4.4
313.03595	0.8
314.04395	38.7
315.05167	80.3
316.05496	6.7
323.07742	0.8
329.23343	0.6
477.10416	2.2
623.14209	100.0
623.32721	6.0
624.14520	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	621.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
55.10392	0.4
59.01267	43.6
59.86765	0.4
60.01590	0.5
61.98732	0.4
67.01775	1.5
69.03349	37.0
70.03693	0.6
71.01271	10.3
71.04916	2.8
72.99234	0.5
73.02843	7.9
78.88305	0.5
83.01283	2.0
85.02856	5.4
85.06487	6.1
87.04427	0.5
89.02343	1.2
95.01295	0.5
95.04951	0.5
97.02854	93.9
98.03170	2.2
99.00787	0.7
101.02349	6.3
113.01655	0.4
113.02359	3.4
115.03931	21.4
149.04494	0.4
161.04480	1.2
165.12770	0.7
182.04100	0.5
182.19649	0.5
203.05667	1.3
275.23822	3.9
301.21805	4.4
302.22165	0.6
319.22861	46.0
320.23212	3.8
329.28491	2.0
373.27591	6.1
399.25467	1.1
417.26575	80.7
418.26913	8.6
561.30670	4.9
562.30884	0.9
579.31873	2.0
621.32941	100.0
622.33331	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	621.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.9
57.03339	1.5
59.01265	73.3
60.01602	1.2
61.98717	3.2
67.01768	2.6
69.03344	37.3
71.01270	24.8
71.04898	2.9
71.56101	1.2
72.99214	0.9
73.02839	9.2
75.00768	2.0
78.95834	0.9
81.03322	1.2
83.01286	4.0
83.04912	1.6
85.02842	19.1
85.06490	4.0
87.00774	2.1
87.04425	1.1
88.98714	1.2
89.02350	3.2
93.03348	1.7
95.01288	3.5
95.04937	2.9
97.02856	99.5
98.03229	1.8
99.00756	1.4
99.04419	13.3
101.02349	11.6
109.06473	1.3
111.04452	2.8
113.02363	22.1
115.03929	25.7
115.04704	1.8
125.02359	2.9
125.89830	0.9
131.03412	2.1
133.02901	5.4
134.03598	1.1
135.04433	3.0
137.02448	1.3
137.06013	1.0
139.03914	9.8
142.83011	0.9
143.03453	12.2
147.02968	1.1
155.03528	1.0
157.04976	1.2
161.02419	15.8
161.04474	4.7
173.04498	2.7
178.68365	1.0
179.03445	2.1
181.01816	1.0
191.05568	8.7
204.33011	0.8
226.92511	0.9
261.02139	0.9
270.11581	1.0
275.23840	3.0
291.23343	1.0
301.21744	5.6
305.00940	4.0
319.22842	62.2
320.23163	6.8
329.28629	3.1
333.00452	5.8
335.07834	1.6
353.08926	1.6
373.27530	5.7
399.25491	2.2
408.88876	0.9
417.26566	100.0
418.26950	13.4
434.39682	1.0
441.26352	5.8
442.26892	1.4
457.25754	1.3
459.27606	14.2
460.28024	1.9
471.27524	1.8
483.27386	1.6
537.18970	2.3
561.30316	1.4
621.32880	25.6
622.33154	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	621.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02267	0.3
51.57964	0.3
55.01760	0.3
58.45582	0.2
58.71175	0.2
59.01264	6.7
60.59993	0.2
61.98717	0.3
67.01784	2.0
69.03344	45.7
69.29301	2.0
69.29718	0.5
70.03680	0.7
71.01275	4.2
71.04913	1.9
72.73690	0.2
72.99187	0.4
73.02840	1.9
78.95817	0.3
80.70316	0.2
83.01302	0.5
85.02840	4.6
85.06484	4.1
85.49434	0.2
87.00761	0.2
87.04435	0.2
88.98688	0.4
89.02327	0.6
93.03338	0.4
95.04931	0.4
96.95889	0.2
97.02853	95.6
98.03168	1.9
98.14053	0.3
98.19763	0.6
99.04421	1.0
101.02348	1.6
113.02352	2.1
115.03928	19.0
116.04264	0.6
125.02297	0.3
133.02913	0.7
135.04469	0.7
135.89964	0.2
139.03949	0.7
143.03435	0.5
155.03487	0.4
161.02385	2.0
161.04488	0.5
165.12784	0.7
173.04489	0.3
179.03479	0.5
191.05597	0.8
273.22354	0.3
275.23801	3.0
276.24231	0.4
301.21753	5.2
302.22055	0.3
305.01114	0.3
319.22852	43.1
320.23203	4.2
325.21802	0.6
329.28549	2.8
330.28964	0.3
333.00433	0.4
334.39059	0.3
373.27576	5.7
374.27789	0.7
399.25519	0.7
417.26550	100.0
418.26895	12.9
441.26608	2.9
442.26923	0.3
459.27374	1.0
471.27841	0.6
489.28680	0.4
561.30316	0.4
621.32788	2.0
622.32965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22828	0.3
53.91028	0.3
55.01771	0.6
57.03331	0.9
58.00478	0.4
59.01266	50.6
60.01610	0.3
61.98718	0.7
67.01770	1.2
69.03345	38.4
69.38987	1.3
69.39408	0.9
70.03679	0.6
71.01269	13.6
71.04913	2.4
72.01639	0.4
72.99214	0.5
73.02835	8.9
75.00771	0.6
78.95798	0.5
83.01272	3.5
83.04930	0.4
85.02842	5.9
85.06483	5.0
87.00787	1.8
87.04421	0.5
89.02341	1.3
90.28996	0.2
90.61954	0.2
93.03359	1.2
95.01275	0.6
95.04937	0.6
96.95931	1.3
97.02852	100.0
98.03191	2.6
98.20647	0.3
99.00807	1.0
99.04393	0.6
101.02345	8.9
107.04915	0.4
109.02896	0.5
111.04441	0.6
113.02361	4.0
115.03923	19.7
116.04271	0.5
119.03477	0.5
121.02903	0.3
123.04411	0.4
125.02338	0.4
131.03380	0.4
133.02875	1.2
134.03683	0.4
135.04443	1.7
137.02385	0.6
138.85396	0.3
139.03888	0.4
143.03427	0.7
145.02956	0.4
149.04585	0.5
151.03928	0.3
155.03493	0.7
161.02400	4.1
161.04457	1.6
165.12796	0.7
173.04565	1.3
179.03439	1.6
191.05560	3.3
193.05048	0.3
195.06619	0.8
203.05588	1.3
233.02505	0.5
245.15790	0.3
261.02075	0.4
263.03580	0.3
273.22357	0.3
275.23886	3.8
276.24179	0.4
301.21756	3.6
305.00986	1.1
307.14050	0.4
313.18036	0.3
319.22839	43.0
320.23187	3.5
329.28650	2.5
333.00549	1.6
335.02100	0.4
335.07718	0.5
337.03668	0.4
353.08817	0.7
355.26495	0.6
373.27567	6.4
374.27872	0.7
374.99661	0.3
399.25427	0.9
417.26556	64.6
418.26883	7.1
430.07275	0.4
537.19775	0.5
561.30853	4.2
562.31451	0.8
579.31873	3.2
580.32147	0.5
593.90723	0.3
621.32916	93.3
622.33228	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	621.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.3
57.03334	1.4
58.00488	0.9
59.01262	54.9
60.01594	0.5
61.98726	0.9
71.01266	22.3
71.56046	0.3
71.56453	0.4
72.99212	1.1
73.02831	7.0
73.92734	0.4
75.00761	0.3
77.22367	0.3
77.38910	0.3
78.95795	0.5
79.95644	0.7
80.96397	2.3
81.34644	0.3
83.01272	3.8
85.02841	11.7
85.99982	0.5
86.03198	0.3
87.00748	1.7
89.02332	6.9
89.02895	0.3
93.03378	0.5
94.97964	0.4
95.01276	2.2
97.02854	1.1
99.00787	2.2
99.04414	46.6
100.04756	1.3
101.02338	12.7
109.02885	0.6
110.58264	0.2
111.00800	0.3
112.01587	0.5
113.02350	12.4
115.70750	0.2
119.03424	2.0
124.01592	0.4
125.02407	0.8
125.09653	0.4
129.01857	0.4
130.47818	0.3
132.22888	0.3
133.02884	1.3
134.03748	0.3
135.04437	0.9
143.03458	0.9
159.02924	0.5
161.02409	3.6
161.04506	2.6
162.02635	0.3
173.04391	0.6
179.03496	0.6
179.05617	0.3
191.05557	1.9
203.05807	0.4
206.29669	0.3
225.00784	0.5
261.22354	0.9
263.03397	0.3
273.22220	0.3
291.23273	2.8
299.04349	0.3
299.20166	0.3
312.51401	0.3
315.90915	0.3
317.21262	3.0
319.22803	0.4
333.00525	0.5
335.22357	5.1
336.22623	0.4
337.03589	0.5
357.27731	0.3
399.25464	1.0
401.27258	1.1
417.26566	0.7
435.27673	0.3
453.28635	1.5
479.26816	1.7
497.27692	1.4
521.27643	3.0
522.28345	0.4
532.75140	0.3
539.28546	3.0
561.30743	9.9
562.31207	1.1
579.31812	9.0
580.32056	1.5
621.32910	100.0
622.33246	18.6
635.35004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83654	0.3
53.10048	0.4
55.01772	1.1
57.03332	2.2
58.00487	0.7
58.60402	0.3
59.01265	73.9
60.01601	0.5
61.98711	1.4
67.01762	0.3
71.01270	25.8
72.01604	0.5
72.99203	1.5
73.02836	7.5
76.35882	0.3
78.25700	0.3
78.95792	0.8
80.96415	0.6
81.03358	0.6
83.01283	4.5
84.02089	0.4
85.02843	12.5
85.99988	0.6
87.00785	1.8
89.02345	7.3
93.03378	1.7
95.01296	2.5
97.02879	0.9
99.00771	2.4
99.04418	47.1
100.04768	0.9
101.02348	16.5
101.05982	7.8
109.02872	0.8
111.00783	0.4
111.04424	0.4
112.01570	0.6
113.02358	12.8
114.02673	0.4
119.03416	2.1
121.02883	0.8
124.01582	0.5
125.02366	1.2
125.09625	0.6
129.01837	0.4
130.83832	0.3
131.03462	0.6
133.02863	2.5
134.03680	0.6
135.04454	1.2
137.02397	0.4
143.03413	1.0
145.02934	0.4
149.04529	0.5
155.03435	0.4
159.02902	1.0
160.01729	0.3
161.02411	5.0
161.04453	3.5
161.14339	0.3
167.14331	0.5
173.04495	2.7
175.03926	0.4
177.01878	0.5
179.03464	1.3
191.05576	3.9
193.05022	0.7
203.05556	0.7
218.71680	0.3
261.22293	1.0
265.04926	0.6
266.06143	0.4
275.23734	0.5
291.23376	2.9
293.04575	0.6
299.20325	0.4
305.01111	0.4
317.21255	3.1
319.22794	0.5
335.22266	5.7
336.22568	0.6
337.03592	1.6
351.05338	0.6
353.08990	0.4
370.66306	0.3
373.27518	0.6
399.25528	1.6
401.27081	1.3
417.26535	2.1
453.28592	2.0
479.26831	1.3
497.27811	1.2
518.86279	0.4
521.27649	3.1
522.27734	0.4
539.28809	2.7
540.29126	0.5
561.30829	9.8
562.31390	1.0
579.31818	8.6
580.32471	1.4
621.32953	100.0
622.33289	19.0
622.43951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.2
56.79460	0.3
57.03333	1.7
58.00485	0.8
59.01263	57.4
60.01602	0.3
61.98718	1.0
65.49653	0.2
67.01761	0.3
68.99702	0.4
71.01269	22.9
71.57177	0.3
71.57613	0.3
72.01632	0.2
72.99191	1.5
73.02834	7.9
75.00766	0.4
78.95811	0.4
79.74193	0.2
79.95643	0.3
80.96418	0.6
81.03365	0.4
83.01269	3.7
85.02840	11.5
85.99982	0.5
87.00769	1.4
89.02336	6.4
93.03380	0.8
93.24089	0.2
95.01285	2.0
97.02873	1.0
97.06500	0.3
99.00774	2.4
99.04416	46.1
100.04761	1.2
101.02345	13.0
109.02862	0.6
109.66978	0.2
111.00802	0.5
111.04438	0.5
112.01581	0.5
113.02354	10.6
113.05950	0.2
114.02705	0.3
119.03413	2.0
119.04906	0.2
124.01616	0.4
125.02390	1.1
125.09660	0.8
129.01906	0.4
131.03426	0.3
132.02077	0.4
133.02882	1.9
134.03734	1.1
135.04449	1.0
139.00148	0.2
143.03458	0.8
155.03481	0.4
159.02942	0.8
159.07077	0.3
160.01596	0.4
161.02388	4.8
161.04475	2.4
173.04469	1.7
175.03943	0.3
179.03445	0.6
191.05563	3.2
193.05048	0.9
261.22241	1.2
263.03564	0.3
263.24005	0.4
265.05200	0.4
267.06512	0.4
273.22379	0.4
277.57001	0.3
291.23364	3.1
292.23807	0.4
293.04553	0.4
311.05725	0.4
317.21298	2.1
319.22961	0.4
333.00464	0.4
335.01819	0.3
335.22339	5.6
336.22733	0.6
337.03741	1.2
353.09109	0.3
399.25546	1.0
401.26981	1.2
417.26624	0.6
433.06854	0.3
435.27795	0.4
453.28693	1.8
479.26752	1.5
497.27618	1.5
498.27805	0.4
511.25146	0.3
521.27606	2.6
522.27728	0.4
539.28790	2.4
540.29407	0.6
561.30811	8.9
562.31287	1.6
579.31836	8.8
580.32471	1.5
621.32922	100.0
622.33252	18.0
622.43866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.3
58.00486	2.2
58.10679	0.8
59.01266	100.0
60.01590	0.8
64.30527	0.6
71.01270	52.7
71.47072	1.5
72.99199	4.1
73.02831	5.5
75.79749	0.7
81.03367	1.5
83.01286	2.8
85.02843	12.5
87.00782	3.7
89.02342	51.0
90.02666	0.8
93.03393	1.5
95.01272	4.3
96.19115	0.6
96.95918	1.1
97.02854	1.1
99.00820	1.4
101.02351	25.7
101.03015	1.3
109.06502	1.1
111.04489	0.9
112.29010	0.7
113.02360	27.2
114.02740	1.4
119.03416	19.4
119.04951	1.6
121.02905	0.8
125.02398	3.5
131.03442	2.3
143.03445	5.3
145.02963	0.8
147.31146	0.8
147.82207	0.6
149.04518	2.4
151.07579	9.0
161.04495	8.8
163.04008	0.9
173.04500	1.0
179.05574	11.8
191.05672	4.6
191.07152	1.0
195.06610	36.8
196.07013	2.8
206.06088	0.6
211.06104	1.1
219.06577	4.5
237.07829	2.6
329.47650	0.8
342.26428	0.8
355.21445	1.3
357.11951	13.6
357.16116	0.8
358.12585	1.2
399.12970	9.4
400.13245	1.2
457.14230	0.7
467.84402	0.8
517.26672	48.5
518.26813	6.7
535.27795	31.2
536.28058	5.5
577.19757	1.2
577.28741	12.7
578.29382	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	621.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03341	1.1
58.00507	1.3
58.69603	0.5
59.01266	100.0
60.01604	1.0
60.22808	0.6
62.69447	0.6
67.01781	0.8
71.01272	34.9
71.60286	0.8
72.01618	1.2
72.99193	3.6
73.02838	5.7
75.00778	1.6
75.89218	0.6
78.95809	1.8
81.65350	0.6
83.01280	2.9
85.02846	11.3
87.00787	2.5
89.02339	33.6
90.02681	1.2
93.03367	3.3
94.96231	0.6
95.01301	2.5
96.95916	6.3
96.96861	1.0
97.02888	0.8
99.00774	4.7
101.02345	25.5
102.02680	0.7
111.00771	0.7
111.04385	0.5
113.02357	15.7
119.03425	14.6
119.04858	2.8
121.67235	0.6
125.02438	0.8
130.74870	0.5
131.03456	1.4
133.02919	0.7
134.03618	1.1
135.04475	2.3
137.02379	3.3
143.03400	4.0
145.02887	0.9
146.03690	1.2
147.04485	0.7
149.04507	2.5
151.03952	0.9
159.03021	1.4
161.02409	1.9
161.04512	9.6
163.04025	2.3
164.04735	1.0
170.14861	0.6
173.04561	2.3
175.03941	0.9
176.50296	0.5
179.03479	1.1
179.05592	10.4
179.07129	1.5
181.05144	1.0
181.08936	0.6
191.05580	6.5
192.06148	0.6
193.05057	1.7
195.06277	0.6
208.35136	0.7
231.16081	0.8
255.03052	2.7
256.03629	0.7
283.02579	8.3
284.02832	1.0
285.04166	1.0
311.11490	0.7
333.07614	0.9
355.25128	0.6
357.13437	0.8
387.12115	0.9
399.24023	6.0
400.24545	0.9
517.30371	5.3
535.31470	0.9
561.29297	46.7
562.29706	6.5
577.32794	0.8
579.30408	2.8
621.18988	3.5
621.31561	9.2
622.31995	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.7
61.98724	1.0
71.01271	1.8
73.02836	1.3
75.00766	0.3
77.03860	0.3
78.23927	0.3
78.95796	0.7
83.01282	0.3
83.70599	0.3
85.02848	1.0
87.00755	0.7
88.98695	1.7
89.02343	1.2
89.03858	0.6
93.03361	1.1
95.04918	0.3
96.95916	0.6
99.00732	0.3
101.02347	1.4
105.03362	0.8
113.02387	0.7
116.92744	0.4
117.03342	0.7
119.03453	0.3
119.04909	0.6
121.02848	0.4
123.04453	0.3
132.02069	1.8
133.02882	38.5
134.03348	1.2
135.04459	10.8
136.04776	0.6
137.02367	1.1
145.02892	0.5
149.06026	0.3
152.99474	0.3
159.04437	0.8
161.02391	100.0
162.02734	5.7
163.03935	0.5
173.04504	1.0
175.03926	0.5
179.03462	5.2
180.03793	0.5
191.05568	2.0
203.03481	0.4
248.21329	0.3
264.04407	0.8
271.02570	0.4
299.01910	0.7
453.63684	0.3
459.22479	0.5
517.93121	0.4
535.25745	2.6
577.26660	59.0
578.26984	9.2
592.74353	0.3
621.29761	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	621.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	1.0
56.95540	0.8
57.03334	2.0
58.00477	2.1
59.01268	100.0
60.01594	1.6
67.01767	0.9
69.03335	1.0
71.01276	49.2
71.58936	1.2
72.01606	1.9
72.99200	2.9
73.02443	1.6
73.02840	23.6
78.15298	0.9
81.03346	1.1
82.43153	1.0
83.01283	6.2
85.02852	12.8
87.00774	2.0
89.02343	26.5
93.03369	1.7
93.72418	0.8
95.01273	3.4
99.00790	1.6
101.02351	30.0
113.02368	28.0
119.03429	11.4
122.03596	0.9
125.02358	2.3
130.22282	0.9
131.03427	3.1
134.03690	1.5
135.04445	2.0
143.03450	4.3
149.02354	1.2
149.04503	2.8
150.03215	1.6
151.00293	1.1
151.07599	3.3
161.02391	2.8
161.04501	8.8
162.01889	1.7
162.03180	21.0
165.05542	2.8
177.05534	21.1
179.03442	1.7
179.05603	6.5
191.05647	4.6
195.06577	10.3
196.06949	1.0
219.06700	1.3
220.40448	0.9
227.12816	1.1
299.02087	1.5
301.03790	1.1
315.01578	1.1
340.55963	0.9
399.13104	3.1
484.96893	0.9
517.26721	35.4
518.26923	6.4
535.27716	20.2
536.28424	4.7
561.29169	2.0
562.29095	1.3
577.28772	10.3
578.29535	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	621.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.4
59.01265	5.4
69.03323	0.8
69.93522	1.0
71.01271	1.4
73.02822	0.6
76.12908	0.2
82.04479	0.2
83.01283	0.2
85.02821	0.8
89.02325	0.2
93.03362	0.3
96.95879	0.2
97.02237	0.3
97.02838	2.4
98.20443	0.3
101.02341	0.9
105.03349	0.6
107.04944	0.3
108.69384	0.2
109.02851	0.3
113.02380	1.0
115.03907	0.5
117.03372	0.6
121.02857	0.3
123.04440	0.2
123.24249	0.2
132.02086	1.7
133.02881	34.5
134.03740	1.1
135.04449	10.4
136.04834	0.5
137.02382	0.6
139.03932	0.6
149.02382	0.7
151.03973	0.4
159.04442	0.6
161.02388	100.0
162.02730	4.7
173.04619	0.4
178.02676	0.2
179.03464	5.3
179.04950	0.4
180.03828	0.3
203.03534	0.5
209.15375	0.3
245.37042	0.2
319.23080	0.9
330.33713	0.2
381.43658	0.2
404.94849	0.2
417.26520	1.2
512.99908	0.2
535.26190	1.5
536.26654	0.4
561.30927	1.2
577.26923	44.8
578.27307	7.4
579.30719	0.2
621.29700	2.9
622.31799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45918	0.3
59.01262	4.8
64.01863	0.4
68.99704	0.4
71.01278	2.1
72.99185	0.5
73.02808	0.8
78.95783	2.0
81.03355	0.6
84.02016	0.4
85.02837	1.5
89.02335	1.2
93.03366	0.6
95.01272	0.7
96.95929	0.6
96.96854	1.3
98.20559	1.0
99.80698	0.3
101.02345	1.2
107.04958	0.5
109.02853	2.5
113.02356	0.9
121.02866	0.7
123.00829	2.1
123.04467	0.7
125.02335	0.9
126.37160	0.4
133.02872	1.7
135.04439	1.7
137.02370	9.2
139.00291	0.5
139.03912	0.6
146.03603	0.6
147.04463	0.4
149.02386	1.3
151.00313	19.3
151.03935	1.9
152.01089	1.9
152.04745	2.1
153.01848	0.4
153.05566	0.7
159.04457	0.7
161.02391	3.6
163.03973	0.8
164.04637	0.9
165.01898	1.0
166.02670	63.8
167.03287	3.8
175.03937	1.5
177.01903	2.9
177.05533	0.4
178.02585	0.5
179.03441	1.5
179.07086	1.3
181.05032	80.9
182.05370	3.9
184.03763	1.5
190.06355	1.0
191.03487	0.9
191.05592	1.1
192.04282	1.4
193.04863	0.9
195.06715	0.6
199.02022	0.4
205.05016	1.0
205.08679	1.5
207.06590	1.3
209.04588	0.9
217.05020	0.5
233.09438	0.8
301.07211	0.6
311.10458	1.0
329.10345	0.5
356.13193	0.5
359.11520	1.3
387.10956	16.4
387.16043	0.5
388.11545	1.9
402.13300	7.3
403.13409	0.8
417.15637	100.0
418.15970	13.4
449.49301	0.4
514.33246	0.4
561.29102	2.5
562.29810	0.5
577.25458	1.2
579.30829	0.7
621.21436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03328	0.5
58.00480	0.5
59.01265	100.0
60.01596	1.3
61.98718	4.8
69.03357	0.2
69.28062	1.8
71.01271	9.7
72.99212	0.7
73.02837	2.0
77.78340	0.2
77.81591	0.1
81.03334	0.2
83.01288	1.2
83.04894	0.2
85.02847	5.4
86.00006	0.2
87.00784	0.5
89.02337	4.2
89.75146	0.2
93.03377	0.2
95.01297	1.4
97.02843	1.5
99.00797	0.7
99.04418	9.9
100.04757	0.3
101.02345	4.4
101.06012	0.2
109.02896	0.4
111.00782	0.2
112.01570	1.0
113.02357	10.0
114.02637	0.2
119.03455	1.0
119.04946	0.3
123.08112	0.2
125.02371	0.5
131.03477	0.3
132.02127	0.2
133.02882	1.5
135.04475	0.8
143.03444	0.5
145.02953	0.2
151.07607	0.4
159.02995	0.5
160.01645	0.2
161.02412	3.2
161.04474	2.1
162.02734	0.3
163.04041	0.4
165.72662	0.2
173.04524	0.3
174.21292	0.2
177.01933	0.7
179.03564	0.3
179.05605	0.2
191.05649	0.6
191.10783	0.5
193.76982	0.2
195.06595	1.2
219.06694	0.3
229.05336	0.2
297.18817	0.2
315.19681	1.0
333.21011	0.6
351.05322	0.2
386.03287	0.2
415.25031	1.9
416.25500	0.2
477.25061	6.9
478.25308	0.9
495.26486	0.7
511.27432	0.4
529.28436	0.4
559.29279	10.2
560.29584	2.1
575.25415	0.4
577.30377	4.1
578.31104	0.8
619.27655	1.4
640.95428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.3
57.03338	0.3
58.00490	0.2
59.01264	65.3
60.01597	0.6
61.98717	0.3
68.00486	0.1
69.03350	0.3
71.01271	6.2
71.89848	0.1
72.99200	0.4
73.02830	2.2
73.03191	0.2
75.00738	0.2
75.68112	0.1
83.01275	1.0
83.04874	0.1
85.02848	2.9
87.00780	0.5
89.02335	2.1
93.03384	0.2
95.01296	0.6
96.95958	0.1
97.02858	1.8
99.00780	0.6
99.04417	100.0
100.04762	2.5
101.02349	3.8
113.02354	4.7
119.01910	0.1
119.03392	0.5
124.01597	0.2
125.02393	0.7
129.01837	0.3
131.03423	0.2
133.02866	0.2
135.04439	0.3
143.03459	0.8
145.02794	0.1
149.04442	0.2
155.03400	0.1
157.08611	0.3
159.02980	0.1
160.02859	0.1
161.02380	0.5
161.04501	2.7
165.09163	0.2
171.10191	0.2
171.13788	0.3
173.04478	0.2
175.03722	0.1
179.03564	0.2
179.05513	0.1
191.05577	0.6
191.10756	0.2
203.05556	0.1
209.15515	0.1
219.04750	0.1
236.76166	0.1
284.49033	0.1
297.18573	0.2
303.19492	0.1
305.00955	0.2
305.21063	0.2
309.66284	0.1
315.19653	0.9
316.20135	0.1
332.43457	0.1
333.20816	3.5
334.21042	0.3
415.24979	0.1
429.22745	0.4
441.22894	0.3
477.25058	4.3
478.25446	0.7
495.26215	1.7
496.26028	0.3
537.27173	1.8
538.27228	0.4
559.29083	0.8
561.88342	0.1
577.30054	0.5
619.31073	0.4
620.31860	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	619.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12275	0.1
55.01752	0.3
57.03343	0.3
59.01266	66.2
60.01595	0.8
61.98724	0.5
69.03356	0.3
71.01272	6.2
71.56535	0.1
71.56953	0.2
72.99206	0.3
73.02840	2.1
75.00784	0.3
83.01274	1.2
85.02844	2.6
87.00790	0.9
89.02335	2.0
95.01294	0.7
96.95929	0.1
97.02858	1.7
99.00790	0.6
99.04421	100.0
100.04752	2.5
101.02349	3.3
101.05999	0.2
111.00845	0.2
111.04408	0.2
113.02358	4.8
119.03398	0.7
124.01585	0.2
125.02357	0.5
129.01849	0.3
133.02872	0.3
135.04425	0.1
141.27881	0.2
141.32867	0.2
142.43298	0.1
143.03403	0.7
149.04459	0.2
161.02353	0.5
161.04492	2.6
163.77328	0.1
165.09148	0.2
173.04457	0.2
176.52061	0.1
179.05606	0.2
191.05522	0.7
221.06627	0.1
277.93307	0.2
303.19635	0.2
305.21136	0.3
314.01636	0.2
315.19626	0.8
333.20819	3.3
334.21005	0.4
397.23709	0.2
429.22775	0.3
441.22580	0.2
477.25021	3.3
478.25247	0.3
495.26129	1.8
496.25925	0.2
519.25836	0.2
537.27045	2.0
538.27173	0.3
553.11389	0.2
559.29376	0.9
560.29443	0.3
577.30585	0.8
619.31207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47546	0.2
57.03334	0.2
59.01264	30.8
60.01604	0.3
67.01791	0.6
69.03345	17.1
70.03685	0.7
70.85925	0.2
70.86246	0.3
71.01270	3.9
71.04909	2.2
73.02831	1.8
79.40661	0.2
81.03355	0.2
83.01264	0.7
85.02845	2.6
87.04411	0.7
89.02334	0.4
93.03340	0.3
97.02852	100.0
97.86973	0.2
98.03188	2.3
99.00773	0.5
101.02348	1.5
109.06531	0.2
111.04429	0.2
111.12800	0.2
113.02355	1.3
115.03925	33.2
116.04264	0.7
123.04467	0.2
125.02367	0.3
135.04407	0.4
137.02449	0.2
139.03909	0.2
140.66975	0.2
143.03438	0.2
155.03462	0.2
161.02374	0.3
161.04480	0.5
163.11192	0.2
181.32072	0.2
191.05479	0.3
195.06549	0.3
203.05489	0.5
241.07213	0.2
259.08264	1.3
273.22073	0.3
299.20123	0.7
301.09360	0.6
317.21323	3.2
318.21475	0.3
371.26031	1.7
372.26132	0.4
397.24081	0.2
415.24982	21.5
416.20142	0.2
416.25311	3.1
471.14700	0.3
602.14978	0.3
606.24652	0.2
619.20184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
59.07790	0.1
60.01600	1.0
71.01292	0.2
73.02827	0.2
79.02609	0.1
85.02869	0.2
101.02383	0.4
113.02362	0.2
122.68894	0.1
135.32504	0.1
140.59375	0.1
161.04562	0.2
191.05609	0.3
205.64413	0.2
233.22891	0.1
343.63129	0.1
391.88742	0.1
517.21185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2577
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.98719	1.3
78.95800	7.9
121.14982	0.8
152.99527	7.3
160.61929	0.9
163.28957	0.9
209.11787	2.7
213.20596	0.8
216.72792	0.9
224.76250	0.8
234.37129	0.9
255.23291	8.7
363.12457	1.3
389.15396	1.6
391.22647	2.3
415.15686	2.9
416.16473	12.8
417.16782	1.6
430.18103	3.2
431.18536	1.9
444.15811	1.7
459.18359	100.0
460.18823	18.0
473.19949	14.6
474.14130	1.6
474.20419	8.7
475.21466	1.9
485.16525	1.3
487.17889	1.4
501.19318	1.7
503.17618	3.7
504.18094	1.7
513.19781	1.1
518.19733	44.4
519.19940	8.1
532.21002	6.1
533.22052	77.3
534.22455	13.7
587.23151	6.2
619.25818	81.6
619.35632	4.7
620.26141	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.5
59.01262	3.9
61.98727	0.4
69.03343	0.3
70.07629	1.1
71.01266	1.4
73.02833	0.8
75.00809	0.3
81.03342	0.3
83.01272	2.2
85.02836	0.8
87.00753	0.4
89.02390	0.3
93.03345	0.5
95.04908	0.3
96.95911	1.2
97.02793	0.3
101.02351	0.5
104.02552	0.2
105.03364	0.4
113.02383	0.6
117.03371	0.8
123.04441	0.3
123.08095	0.3
125.02368	10.4
132.02094	2.2
133.02884	36.9
134.03117	1.4
135.04451	12.7
137.02371	0.8
139.03903	0.4
145.02888	0.3
146.31181	0.3
147.08116	0.4
149.02408	0.5
159.04457	0.6
161.02391	100.0
162.02718	4.9
163.03961	0.4
163.11220	0.5
173.04497	0.5
179.03462	6.6
180.03853	0.3
191.05553	1.3
191.07138	2.9
203.03473	0.5
205.08649	1.7
206.09431	0.3
229.06058	0.2
240.80582	0.2
271.02573	0.4
283.02469	0.4
331.19223	14.3
332.19754	1.2
349.20309	0.4
533.24121	2.3
534.24561	0.3
575.25098	50.4
576.25439	9.0
619.27704	7.1
620.28259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61320	0.3
57.03336	0.9
59.01270	2.6
62.99450	0.3
65.00206	0.5
67.02710	0.3
70.73816	0.3
73.02854	0.4
78.12856	0.3
78.95779	0.4
81.03350	3.5
83.01269	0.8
85.02842	0.3
85.06460	0.5
87.04409	0.8
93.03341	0.6
95.04932	0.6
97.02893	0.3
98.19801	1.0
101.02324	0.5
107.01278	0.5
107.04954	0.3
109.06500	3.1
111.04417	4.9
113.02406	0.4
121.02863	0.4
122.03651	1.2
125.02373	9.3
126.02747	0.3
132.02097	5.1
133.02838	0.9
134.03679	5.7
135.04466	0.8
139.03874	0.4
149.02388	1.8
149.06023	0.9
151.00339	0.9
151.07593	25.1
152.07941	1.5
160.01611	18.4
161.02306	2.5
163.03912	0.5
167.03467	0.7
173.04492	0.5
175.03964	16.3
176.04384	0.7
177.01901	0.4
177.05565	0.8
178.02670	0.4
179.03450	0.9
189.76057	0.3
191.05527	0.8
191.07135	0.7
193.05069	4.3
194.05365	0.3
195.06610	100.0
196.06961	4.7
207.06700	0.6
209.08157	0.7
217.05081	1.1
219.06577	2.3
221.08128	0.5
231.06670	0.4
233.08133	0.4
235.05814	0.3
237.07716	1.9
247.06192	0.4
249.07747	1.3
261.07736	1.0
311.07654	0.4
321.09796	1.2
339.10733	0.4
356.94498	0.4
379.10437	8.2
380.10831	1.1
381.11975	11.5
382.12253	1.3
399.12961	0.5
457.11453	0.3
505.13553	1.1
526.82465	0.3
539.16772	0.4
575.17853	9.4
575.26440	0.6
576.18170	1.9
619.29498	0.7
619.39050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32337	0.1
59.01269	100.0
60.01604	1.0
61.98719	0.2
71.01282	0.5
71.63483	0.2
72.99195	0.2
73.02840	0.3
78.95812	0.2
85.02865	0.5
89.02378	0.2
91.70108	0.1
96.95922	0.3
101.02392	0.4
113.02370	0.2
115.17743	0.2
119.04965	0.3
129.05583	0.2
131.93703	0.2
133.02861	0.2
161.02406	0.3
161.04558	0.2
163.03976	0.2
173.04544	0.2
174.18854	0.2
177.01881	0.2
179.03529	0.2
187.85049	0.2
191.05653	0.6
195.06648	0.2
211.66740	0.1
281.00851	0.1
284.40985	0.2
517.21259	0.3
518.21643	0.2
619.29413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.8
59.01256	2.3
60.99191	4.6
61.98720	46.3
65.33911	0.6
67.01776	9.0
67.21517	0.7
69.03338	2.3
71.01279	3.5
71.58428	0.7
71.58810	0.9
77.03825	0.8
78.95812	4.0
81.03358	1.6
83.04890	0.8
85.02834	2.6
87.00782	10.0
89.03908	0.7
93.03361	64.3
94.03698	1.6
95.04913	2.0
96.95904	0.8
105.03355	5.6
107.04916	1.3
109.02857	8.5
111.04436	11.1
113.02264	0.9
115.03859	1.1
117.03380	0.7
123.04469	1.5
125.03885	0.7
125.29975	0.6
129.01875	1.4
132.74101	0.7
133.02885	43.5
134.03262	1.4
135.04445	10.6
137.02350	1.2
150.03181	1.4
152.99504	1.0
155.03423	2.8
161.02412	2.9
173.04514	44.2
174.04855	1.8
177.01897	18.6
179.03436	4.3
191.05580	31.3
192.05899	1.2
215.05609	18.8
216.05882	1.0
258.92960	0.7
307.08304	3.2
351.07291	28.1
352.07748	2.6
381.20593	1.2
555.26105	100.0
556.18561	1.3
556.26544	19.6
615.55353	0.7
619.33411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41914	0.6
53.93902	0.6
57.03338	0.7
59.01270	8.9
61.98713	0.9
67.01795	0.6
68.99668	0.8
69.30542	4.2
69.30963	1.9
71.01275	6.6
72.99190	1.0
73.02842	1.5
75.00771	4.0
78.95800	1.1
80.04984	1.1
81.03349	0.8
83.01274	1.1
83.04952	0.7
84.04452	0.8
85.02857	6.1
87.00764	2.6
88.98696	0.6
89.02338	3.7
93.03362	3.4
94.06510	1.2
95.03671	2.2
96.55090	0.6
96.95920	34.3
97.01500	0.7
97.02884	0.6
99.00781	1.2
101.02364	3.5
102.96632	0.5
104.04939	1.3
105.30811	0.7
106.06570	5.2
107.03647	0.7
108.04474	3.1
108.08104	20.5
109.02839	0.9
111.04406	0.8
112.03967	0.9
113.02383	4.5
117.01881	1.1
119.03440	0.9
119.04926	1.3
120.04455	1.9
121.02869	1.0
121.05240	0.8
122.06039	11.4
124.07613	8.5
126.25983	0.6
127.07555	2.1
132.04489	53.4
133.02892	1.1
133.05296	19.3
134.03662	1.3
134.06058	17.5
135.03284	0.6
135.04419	1.8
135.06389	0.7
136.07523	0.6
138.05525	1.1
148.03963	3.5
149.04736	3.5
150.05553	26.2
150.06764	1.3
151.03864	0.7
151.05896	1.5
152.07091	2.4
153.68137	0.6
161.02374	2.8
161.04643	1.4
161.05934	1.1
162.05566	4.8
165.04269	37.4
166.04544	1.5
171.10201	0.7
173.04529	2.4
176.04694	1.1
176.07144	2.7
179.03496	2.9
184.07710	0.6
186.09158	1.8
187.08641	0.8
191.05588	4.7
193.05080	0.7
194.05774	1.3
198.09171	1.4
199.08730	0.6
209.08182	2.8
212.10815	1.4
213.06685	2.6
213.13834	0.6
214.12392	4.6
215.11908	10.6
216.12088	1.1
219.13811	0.7
225.06685	1.0
225.14018	0.6
226.07462	1.3
227.08223	2.0
228.05377	0.6
228.08687	0.6
229.09889	4.8
229.13501	2.7
239.08290	1.2
239.11893	1.8
240.10255	4.0
241.09807	7.5
241.13503	1.9
253.13394	1.4
255.11433	7.8
257.13010	79.0
258.13330	7.1
263.12985	0.6
265.09796	1.5
267.07486	0.6
267.11435	0.9
268.12241	0.6
269.13123	1.9
270.13785	1.7
271.14600	13.7
272.08255	0.8
272.14944	1.7
281.09576	0.7
281.12952	1.1
283.10971	23.1
284.11282	2.0
297.12387	0.9
300.11240	2.2
301.12024	28.7
302.12219	1.9
313.11612	0.7
315.13422	0.8
327.09940	4.8
341.08878	0.8
388.16644	1.0
392.19904	1.8
393.17035	0.7
402.18744	0.9
404.19757	1.8
414.64670	0.7
436.18698	1.2
439.32288	1.5
441.35858	0.6
448.19019	0.9
463.22684	2.6
463.72455	1.0
478.54324	0.6
555.26123	1.8
557.24182	24.1
558.24530	4.7
571.25568	0.9
573.29626	0.8
599.25281	100.0
600.25500	19.9
617.26532	78.2
617.78687	1.0
618.26868	18.0
618.36884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94091	0.5
61.02730	0.5
69.82938	3.5
77.41763	0.5
78.86596	0.5
78.95795	57.8
92.66206	0.5
95.26691	0.5
96.96864	57.1
136.64357	0.6
137.76825	0.5
191.05600	1.6
249.09003	100.0
250.09346	7.1
251.09570	0.6
355.37845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97882	0.5
55.85771	0.6
59.01287	0.6
65.23138	0.6
70.18774	2.1
70.19203	0.9
73.49168	0.6
74.81768	0.6
78.95798	55.0
83.43742	0.6
96.96868	54.8
110.13749	0.6
134.03667	0.8
173.04643	0.7
191.05589	2.7
193.05038	0.7
214.91101	0.6
249.09030	100.0
250.09413	5.5
253.06601	0.6
465.34897	0.6
524.97089	0.6
622.16632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.1
59.01268	0.2
60.90123	0.1
61.98703	0.2
62.56741	0.1
66.98122	0.1
71.01269	0.2
71.59895	0.1
78.95796	3.4
79.95635	2.6
81.03368	0.1
85.02851	0.2
86.70060	0.1
89.02366	0.1
93.03363	0.4
96.95918	100.0
96.96801	4.1
97.95848	0.3
98.01440	0.1
98.02399	0.1
108.02108	0.1
111.04421	0.2
119.04966	0.2
125.02387	0.2
134.03650	0.2
135.04425	0.1
137.02373	0.2
151.07610	0.9
163.03917	0.1
166.19467	0.1
168.00603	0.1
173.04503	0.2
179.03471	0.1
191.05598	0.7
193.05048	0.3
195.06618	3.7
209.08200	0.1
219.06598	0.7
237.07784	0.2
249.07768	0.1
311.11667	0.1
357.12021	2.6
357.16232	0.2
358.12497	0.3
396.13046	0.1
464.32468	0.1
494.91525	0.1
589.82471	0.1
617.14752	0.3
617.22601	0.1
621.65094	0.1
622.87598	0.1
635.26276	0.1
642.83081	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.2
57.03335	1.4
59.01268	1.2
59.84186	0.2
69.03358	0.4
71.01273	2.3
71.55450	0.2
72.99190	1.0
73.02837	0.8
78.95789	2.3
81.03357	0.3
83.01286	0.5
83.04909	0.2
85.02836	2.7
87.00778	0.5
89.02349	0.5
93.03374	0.5
95.01311	0.8
95.04937	0.3
96.95916	3.4
96.96840	1.8
97.02848	0.5
97.06490	2.8
99.00772	1.1
99.01343	0.2
101.02349	1.0
107.04941	0.2
108.02076	45.3
109.02892	8.6
110.03187	0.3
113.02359	1.5
113.55914	0.2
116.92713	0.3
119.04919	0.3
121.02866	0.7
122.03653	0.3
123.00832	0.9
123.04424	0.6
123.08048	1.3
125.02352	0.6
125.09641	21.2
126.09966	0.8
129.01859	0.2
133.02867	0.6
134.03659	0.4
135.04471	1.5
137.02377	0.3
143.03517	0.2
143.10709	0.4
143.13084	0.2
145.02904	0.2
147.04466	0.2
149.02351	0.4
151.00209	0.3
151.03932	1.0
152.01089	97.5
153.01785	5.8
154.02196	0.3
161.02426	0.9
161.04485	0.9
163.02734	0.2
163.03964	3.5
164.04320	0.2
165.05577	0.3
169.08623	0.7
173.04584	0.2
175.03967	0.5
177.01874	1.0
177.05589	0.2
179.03442	1.0
187.09723	15.3
188.10078	0.7
190.75700	0.2
191.05591	1.1
207.02977	0.7
233.09454	1.4
255.06758	0.2
267.10162	0.8
270.08905	0.2
271.08261	0.3
297.06241	0.5
301.10846	0.2
315.07285	1.3
403.12592	0.5
429.10440	8.2
430.10611	0.6
447.11380	2.5
573.22046	2.2
574.21857	0.4
599.19135	0.2
617.20984	100.0
618.21283	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	615.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51733	0.1
59.01270	0.2
61.98711	0.1
63.78078	0.1
65.03849	0.1
66.76635	0.1
67.01772	0.2
85.02824	0.1
87.00801	0.1
93.03358	6.9
95.04935	0.1
97.02861	0.3
109.02850	0.3
111.04420	0.1
113.02400	0.1
117.79231	0.1
121.02872	8.1
122.03202	0.2
124.01591	0.1
133.02896	0.7
135.04439	0.9
137.02368	0.9
139.03941	100.0
140.04272	3.5
161.02373	1.7
162.02701	0.1
165.01895	0.6
166.02213	0.1
173.04483	0.8
179.03477	0.6
181.04997	0.2
189.12813	1.0
191.05580	0.9
191.07014	0.1
205.08701	0.6
250.24582	0.1
267.06775	0.1
269.19342	0.2
283.08398	0.4
292.87024	0.1
293.04636	0.1
301.09348	7.9
302.09695	0.5
313.18158	7.0
314.18542	0.7
331.19308	1.0
332.19519	0.1
335.07932	0.1
337.03510	0.5
338.03992	0.1
353.08954	0.1
413.24039	0.1
534.18103	0.1
615.28247	1.3
616.28613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10452	1.4
54.39270	1.7
58.66506	1.9
59.01260	20.1
59.60022	1.4
61.98721	39.4
67.01765	3.7
69.03362	9.0
70.49269	1.5
71.01271	9.6
71.57503	2.0
71.57859	2.1
73.02847	4.2
76.97919	1.7
78.95813	2.4
79.62042	1.8
85.02857	6.7
87.00790	2.3
89.02352	2.7
93.03357	21.0
96.95938	3.9
97.02849	14.9
101.02339	6.1
101.85192	1.5
109.02862	3.6
111.04449	4.5
113.02396	4.0
115.03936	4.6
119.04919	1.8
132.02057	2.6
132.05739	24.3
133.02896	23.0
134.03535	2.9
135.04440	20.3
137.02376	3.7
139.03934	4.3
158.03714	3.8
161.02400	39.3
161.04453	3.7
162.02887	4.8
164.04742	20.3
171.10236	1.9
173.04520	22.4
174.04781	1.8
177.01942	2.7
179.03471	19.2
179.05046	2.2
180.03873	3.0
185.09650	1.8
187.11258	33.4
188.11571	2.7
191.05594	43.1
191.07156	1.6
192.05849	3.0
197.02246	6.7
213.09201	25.3
214.09488	2.0
231.10281	100.0
232.10625	7.6
248.04575	1.8
263.03598	2.2
265.05008	5.0
266.05661	2.4
267.06711	2.5
293.04675	2.4
295.05835	1.8
311.05576	2.2
319.22751	6.8
333.00430	2.1
335.07959	1.8
337.03616	9.4
338.03815	2.2
339.04974	3.3
341.09363	1.9
353.08847	8.0
359.12222	1.8
417.26559	21.7
418.27029	4.0
432.08722	2.5
513.13818	3.1
615.29443	12.0
616.29950	2.1
633.05255	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.6
59.01270	9.7
61.98728	1.4
65.18700	0.4
67.01768	0.4
69.03339	0.5
70.59379	0.6
70.59724	0.6
71.01278	5.0
72.99209	6.3
73.02853	1.7
75.00771	1.2
78.95808	0.9
81.03346	0.4
83.01278	1.1
85.02847	3.7
87.00790	1.3
89.02346	1.7
93.03356	2.9
93.18663	0.4
95.01308	0.5
95.04917	0.4
96.95917	4.3
97.02840	1.0
97.74198	0.4
99.00812	0.9
101.02340	2.5
107.04948	1.1
108.02110	0.6
109.02901	0.7
111.04460	0.5
113.02357	3.8
113.09634	1.7
115.64950	0.4
117.03351	0.5
119.03475	0.7
119.04940	2.3
121.02897	1.1
132.02040	0.4
133.02893	3.5
134.03682	5.8
135.04457	100.0
136.04787	3.0
137.02383	3.3
139.03903	0.5
145.02908	1.1
147.04454	0.7
148.05202	0.4
149.04494	0.4
149.06000	1.0
150.03207	1.3
152.01129	1.0
155.03467	0.4
157.08604	0.4
159.04465	1.2
159.10234	7.6
160.01549	0.6
161.02409	12.2
161.04559	0.9
162.02776	0.7
163.03972	1.4
165.05533	1.1
168.50862	0.4
173.04500	2.1
173.05930	0.8
175.03905	0.9
177.01913	1.5
177.05545	1.7
178.02710	2.1
179.03476	80.5
180.03882	2.9
191.03960	0.7
191.05608	7.4
191.07098	0.5
192.05902	0.6
193.05006	0.5
195.06494	0.7
195.08162	0.4
199.09798	0.5
201.05670	0.5
201.11403	0.6
211.07680	0.6
221.04556	1.1
235.06000	0.5
243.71416	0.4
265.08704	0.6
283.02405	0.4
285.04205	1.8
293.03690	0.7
293.06720	5.3
306.72766	0.4
323.07751	2.2
341.08798	4.4
351.21844	0.7
357.43823	0.4
380.56613	0.4
455.12057	37.0
456.12524	3.2
473.13141	19.2
473.18991	0.3
474.13739	1.9
483.18088	0.4
495.26187	2.5
504.66394	0.4
513.27325	2.0
555.28107	3.7
615.23053	39.0
616.23462	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	615.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.8
59.01260	1.9
61.82878	0.3
69.03347	0.8
71.01269	2.3
72.99190	0.9
73.02829	1.1
75.00760	0.4
77.18825	0.3
83.01252	0.4
85.02843	2.4
89.02324	0.5
93.03371	0.7
95.01295	0.7
96.95918	1.0
97.02821	0.4
98.19678	0.6
99.00789	0.6
101.02354	0.9
104.28432	0.4
107.16074	0.3
108.02077	44.7
109.02907	8.1
109.68398	0.3
113.02370	1.8
113.09653	2.0
114.96139	0.3
115.07575	0.4
119.04917	0.4
121.02882	0.9
123.00826	0.7
125.02354	0.5
125.09616	0.6
133.02876	1.3
134.03677	0.8
135.04469	2.3
137.02376	0.5
151.03983	0.5
152.01088	92.3
153.01790	4.3
161.02371	2.3
162.02747	0.5
163.03970	3.5
175.03954	0.4
177.01836	0.5
179.03462	2.0
185.11797	21.7
186.12123	1.0
191.05585	0.9
193.05171	0.7
207.02927	0.8
229.73853	0.5
243.71391	0.3
293.45908	0.4
297.06158	0.8
315.07205	0.9
381.19315	0.4
429.10431	11.6
430.10724	1.1
447.11411	1.4
461.07468	0.4
528.75647	0.3
571.22528	0.5
615.23041	100.0
616.23340	15.1
637.68323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.8
59.01260	1.9
61.82878	0.3
69.03347	0.8
71.01269	2.3
72.99190	0.9
73.02829	1.1
75.00760	0.4
77.18825	0.3
83.01252	0.4
85.02843	2.4
89.02324	0.5
93.03371	0.7
95.01295	0.7
96.95918	1.0
97.02821	0.4
98.19678	0.6
99.00789	0.6
101.02354	0.9
104.28432	0.4
107.16074	0.3
108.02077	44.7
109.02907	8.1
109.68398	0.3
113.02370	1.8
113.09653	2.0
114.96139	0.3
115.07575	0.4
119.04917	0.4
121.02882	0.9
123.00826	0.7
125.02354	0.5
125.09616	0.6
133.02876	1.3
134.03677	0.8
135.04469	2.3
137.02376	0.5
151.03983	0.5
152.01088	92.3
153.01790	4.3
161.02371	2.3
162.02747	0.5
163.03970	3.5
175.03954	0.4
177.01836	0.5
179.03462	2.0
185.11797	21.7
186.12123	1.0
191.05585	0.9
193.05171	0.7
207.02927	0.8
229.73853	0.5
243.71391	0.3
293.45908	0.4
297.06158	0.8
315.07205	0.9
381.19315	0.4
429.10431	11.6
430.10724	1.1
447.11411	1.4
461.07468	0.4
528.75647	0.3
571.22528	0.5
615.23041	100.0
616.23340	15.1
637.68323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	6.5
57.03357	0.9
58.00506	0.3
59.01264	3.6
59.40532	0.2
60.99208	0.8
61.98721	2.5
64.20415	0.2
67.01786	2.2
67.02054	0.2
69.03368	0.7
70.47253	0.7
71.01269	4.3
72.99224	0.7
73.02844	1.5
75.00777	0.2
78.95818	0.3
81.03384	1.0
83.01273	3.1
83.01698	0.2
83.04916	1.3
85.02847	7.9
87.00777	3.3
89.02348	1.3
89.40328	0.2
93.03359	19.3
94.03735	0.3
95.01331	0.3
96.95924	2.4
97.02875	0.3
98.20509	0.3
99.00786	1.3
99.04446	0.3
101.02340	1.2
103.03944	0.3
108.02112	1.0
108.04484	0.3
109.02877	2.4
109.67921	0.3
111.00821	0.8
111.04434	5.5
111.05132	0.4
113.02365	1.8
115.00326	0.8
119.04955	2.2
121.02859	0.4
125.02399	0.5
127.03939	1.6
129.01888	0.8
131.03453	0.8
133.02856	0.3
134.03685	0.5
135.04460	0.9
137.02391	3.4
142.44754	0.2
143.04979	0.4
144.12119	0.3
145.02943	0.7
147.04489	0.3
150.03163	0.2
152.01125	0.9
153.01877	0.9
155.03448	4.4
157.05031	0.3
157.43402	0.2
158.62097	0.2
161.02448	0.5
163.03981	1.6
171.02942	0.3
173.04515	29.0
174.04832	1.3
179.03464	0.5
191.05589	7.3
191.07330	0.4
192.05913	0.5
193.05116	0.5
194.05605	0.4
209.08238	0.4
210.06880	0.6
211.07651	8.0
212.08026	0.7
215.05568	0.3
237.09230	0.5
247.08279	1.3
261.06052	0.4
265.08704	0.5
287.07986	0.6
301.39172	0.3
305.08856	100.0
306.09235	5.1
309.07602	0.3
327.08829	2.0
353.07077	0.3
403.08868	0.6
426.45682	0.3
498.19528	0.3
513.23047	0.2
615.17230	17.6
616.17657	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46241	0.8
59.01268	21.0
67.01776	1.1
69.03351	3.9
69.31532	0.7
71.01276	5.9
73.02834	0.9
77.03833	0.9
78.95797	2.7
81.03349	1.3
83.01280	2.5
85.02843	3.3
87.00790	5.5
89.02345	2.6
93.03365	13.6
95.04934	1.7
96.95921	14.1
96.96560	0.9
96.96863	1.9
97.02849	3.4
101.02367	1.8
105.89397	0.8
107.94362	0.9
109.02869	2.4
111.00793	7.2
111.04414	1.6
113.02375	1.4
117.03391	23.7
118.03678	1.4
119.03514	1.6
119.04950	60.9
120.05269	2.7
120.77108	0.7
121.02872	1.3
125.60776	0.9
129.01842	2.5
131.04892	0.9
137.02361	1.4
139.03842	0.9
141.01845	2.5
143.04961	3.1
145.02898	100.0
146.03262	5.0
153.01895	0.9
157.05042	1.2
161.06004	1.4
163.03963	40.0
164.04303	2.5
173.04541	2.6
175.06082	0.9
183.02925	3.0
191.05608	10.9
201.04030	29.4
202.04414	1.3
210.06828	0.8
211.07692	7.3
219.05133	3.5
222.06889	2.5
222.16104	0.8
223.07660	75.8
224.08047	8.0
227.09312	1.5
237.09192	9.9
238.09660	1.5
239.10846	1.8
243.05136	4.8
251.10587	1.2
252.11061	0.7
253.08765	2.7
261.06216	25.5
262.06653	1.8
265.08801	2.8
283.09821	2.8
305.08984	1.4
309.07623	1.8
327.08862	1.9
340.93982	0.8
346.09763	1.2
347.07626	4.0
407.09955	47.3
408.10233	6.3
467.13657	4.0
485.14804	1.2
501.15158	1.0
527.15631	7.7
528.15839	1.8
531.27783	0.9
571.15344	4.1
615.25232	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	615.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56321	0.7
55.01779	0.7
57.03337	0.7
59.01265	32.6
61.98712	2.6
62.56166	0.6
67.01755	1.0
69.03347	17.2
69.92426	1.7
69.92838	1.9
71.01276	5.1
73.02831	0.6
75.00755	2.4
78.95790	1.1
81.03342	2.2
83.01283	5.7
83.04921	1.9
85.02837	3.0
87.00777	4.2
89.02347	1.1
93.03364	16.5
95.01295	1.9
95.04939	4.4
96.95929	8.4
97.02853	16.2
97.03483	0.9
99.00772	0.8
101.02344	1.1
107.29566	0.6
108.02093	1.4
109.02876	3.1
111.00791	21.8
111.04418	2.9
113.02377	1.4
115.00267	1.8
117.03374	2.1
118.98013	1.2
119.04957	2.6
121.02840	1.4
123.04421	1.9
127.03951	0.7
129.01846	1.9
129.04221	0.7
131.04955	2.3
133.02873	2.4
134.03635	1.3
135.04416	1.2
137.02394	1.6
141.01878	15.3
143.04968	9.1
145.02879	1.6
145.06525	0.8
152.01089	2.0
153.01868	0.8
155.03410	1.0
157.04999	1.6
159.04419	0.7
161.02368	0.7
163.03932	2.3
171.04494	1.6
173.04582	3.8
175.06169	0.8
179.03447	0.7
191.05623	6.9
193.04994	1.7
201.04036	47.6
202.04430	2.8
210.06856	2.4
211.07645	31.9
212.07970	2.1
219.05130	3.3
219.08168	0.7
223.07658	2.4
235.07776	4.0
237.09285	3.9
243.05197	2.0
253.08730	1.0
261.06216	100.0
262.06577	6.7
263.07193	0.8
265.08771	12.5
266.09052	1.8
283.02637	1.3
285.04431	0.7
305.08859	5.9
309.07794	6.4
327.08838	2.6
347.19382	0.7
353.07117	0.7
359.06296	1.1
447.10123	0.9
449.61520	0.8
467.13416	0.7
565.70966	0.7
615.18768	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	615.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37222	1.6
55.53180	1.8
56.47021	1.7
59.01264	46.7
63.39295	2.0
65.49665	1.7
67.01784	3.0
69.03351	16.6
70.59350	4.2
71.01274	8.7
78.95808	4.2
81.03336	2.4
83.01295	5.5
85.02859	7.5
87.00764	12.0
93.03362	31.9
95.04939	3.3
96.95918	9.5
96.99220	3.1
97.02860	14.5
99.08069	2.8
101.02348	3.3
106.01981	2.0
109.02874	4.8
111.00797	23.0
111.04423	3.4
113.02364	3.3
115.00286	8.4
117.03399	4.9
119.04945	17.2
121.02867	4.7
125.02362	2.2
127.03887	2.3
129.01843	2.9
131.04936	4.4
133.02913	3.7
135.04420	3.9
137.02383	3.0
141.01877	15.8
143.04958	21.3
145.02913	8.4
145.06511	4.2
145.08640	5.6
147.04463	2.0
155.03429	2.3
157.05046	2.9
163.03963	7.7
171.04474	1.8
173.04521	7.8
191.05588	46.9
192.05969	3.6
201.04033	62.2
208.99120	2.1
210.06873	3.0
211.07657	34.7
212.07928	2.0
219.05109	3.8
223.07692	6.0
235.07678	6.3
237.09254	16.5
237.15564	1.8
243.05112	14.0
247.07718	2.3
250.06303	3.0
261.06198	100.0
262.06570	6.1
265.08762	36.7
266.09018	2.2
287.50290	1.9
307.14014	12.2
309.07748	22.2
310.07986	3.8
327.08826	12.7
359.06238	8.8
389.44110	2.1
527.15961	4.0
571.14471	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	613.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00993	2.5
59.01269	34.4
61.98743	1.1
71.01276	7.4
71.41038	1.9
72.99214	4.9
73.02836	8.5
75.00773	2.1
80.94564	1.2
83.01268	2.0
85.02854	4.1
87.00761	2.2
93.03376	3.5
96.95949	1.8
97.02851	3.2
99.92481	2.2
101.02357	6.1
113.02370	3.9
116.92773	21.7
117.01836	1.2
119.04958	16.9
123.08075	4.2
127.07561	6.5
134.03682	1.9
135.04428	2.1
145.02934	1.7
161.02428	1.3
163.03951	11.1
165.59467	1.2
173.04507	5.1
173.11768	3.6
175.03905	1.8
175.73155	1.3
179.03410	1.7
191.05586	17.4
191.07150	21.2
205.08691	14.1
207.10287	2.0
221.08215	2.4
263.07278	2.3
313.18204	5.0
329.17868	7.7
329.21121	1.4
330.18076	1.7
331.19235	100.0
332.19562	10.1
345.21158	1.7
347.18750	5.1
349.15991	1.9
349.20279	35.7
350.20538	5.1
355.19540	1.5
365.19778	4.4
373.20267	8.9
391.21255	4.3
439.12897	3.9
457.13962	2.4
596.04596	1.4
613.25525	8.0
614.26306	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77831	0.6
57.03318	0.6
59.01266	31.2
69.03326	0.7
69.74886	3.6
71.01280	5.2
73.02839	5.3
74.19232	0.6
75.00773	0.7
81.03334	0.7
83.01279	1.1
84.97510	0.5
85.02851	2.2
87.00748	0.6
89.02380	0.7
96.95892	0.7
97.02853	3.5
98.19839	0.5
101.02352	6.0
109.02845	0.7
111.04433	0.6
113.02364	4.3
116.92783	0.9
119.03450	0.5
123.08070	0.7
125.02370	1.1
127.07564	7.5
134.03651	0.8
135.04384	0.7
141.29187	0.6
143.03423	1.6
147.08090	0.8
149.02458	0.7
149.04485	0.6
149.37077	0.7
150.03223	2.7
152.01108	1.0
161.02376	0.7
161.04446	1.3
161.09543	1.0
163.11252	2.6
165.05554	2.4
173.04509	1.2
179.03365	0.6
181.05003	0.6
191.05591	1.1
191.07109	14.5
192.07532	0.9
195.06647	1.6
201.09178	1.8
203.05539	0.9
203.10730	2.0
204.11531	0.9
205.08699	12.0
206.09283	1.0
207.10220	0.7
221.08195	2.1
229.08765	0.8
247.09605	0.7
266.37860	0.6
269.19254	1.0
313.18201	3.8
327.19733	0.6
329.21301	1.2
331.19217	100.0
332.19519	9.3
345.20911	1.4
347.18707	1.3
349.20270	51.5
350.20776	5.1
363.21866	2.3
365.19891	0.8
373.20258	14.3
374.20633	2.5
385.20111	0.9
391.21408	5.8
392.21521	0.9
403.21198	0.9
415.21317	1.0
613.23291	1.7
613.73199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	28.8
61.98726	1.1
67.01762	0.5
69.03352	0.7
71.01275	5.8
71.04916	1.0
72.99208	2.9
73.02834	6.2
75.00746	2.2
81.03362	0.4
83.01283	1.8
85.02833	3.0
87.00780	1.2
88.98698	0.9
89.02345	0.9
93.03371	2.6
96.95898	1.1
97.02857	4.5
98.20562	1.1
99.00771	1.1
101.02353	4.4
103.00242	0.6
105.07088	0.4
107.04939	0.5
109.02865	1.4
111.04438	0.8
113.02358	3.0
116.92750	2.7
117.03382	0.7
119.03366	0.4
119.04949	13.1
120.05321	0.5
123.00735	0.6
123.04427	0.5
123.08090	2.3
125.02393	0.8
127.07566	4.4
134.03671	0.7
135.04440	1.1
137.02367	1.0
143.03430	1.0
145.02890	1.3
149.04494	0.7
155.03447	1.2
155.10741	1.6
160.01643	0.7
161.04503	0.6
161.09715	0.9
163.03952	8.8
165.01990	0.7
165.05544	1.0
173.04489	2.8
173.09700	0.5
173.11804	2.2
175.03931	0.6
175.07629	0.6
179.03464	0.8
180.04198	0.4
187.11249	0.5
189.09167	1.0
191.05568	8.6
191.07137	18.4
192.05954	1.0
192.07475	1.1
193.05008	0.8
195.06682	0.7
199.09743	0.6
203.05537	0.9
203.14392	1.1
205.08707	14.8
206.09276	1.8
207.10144	0.7
221.08253	2.3
263.07272	0.8
269.19119	0.9
289.18134	0.7
311.20163	0.5
313.18164	4.3
319.08435	0.5
329.17679	2.3
329.21228	1.0
331.19235	100.0
332.19586	10.0
345.20865	1.0
347.18661	2.9
348.19122	0.6
349.20276	43.7
350.20627	4.8
355.19244	1.1
363.21820	2.2
365.19806	5.7
366.20325	0.6
373.20313	10.5
374.20859	1.2
389.19983	0.7
391.21405	4.6
392.21796	0.6
395.65997	0.5
427.34119	0.5
439.12619	2.6
457.13644	1.4
478.87881	0.5
545.22662	0.5
613.25250	6.8
613.33936	0.7
614.25616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.6
59.70467	0.3
61.98726	0.6
65.03851	0.5
69.56431	2.3
71.01267	0.7
73.02841	0.5
76.00706	0.3
85.02832	0.4
93.03364	43.7
94.03695	1.2
98.20557	0.4
100.44456	0.2
101.02339	0.8
137.02382	100.0
138.02721	3.7
140.27097	0.3
189.12878	0.7
191.05595	0.5
192.19949	0.3
205.08588	1.3
270.13498	0.3
299.08054	0.4
313.18195	3.6
314.18442	0.4
331.19058	0.7
377.97791	0.3
480.26193	0.3
578.10419	0.3
588.13318	0.3
613.26819	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17761	0.1
57.03319	0.1
59.01255	0.6
61.98718	0.3
65.03849	0.5
71.01270	0.4
78.95808	0.4
80.08535	0.1
81.03333	0.1
83.04855	0.1
85.02840	0.3
87.00777	0.2
89.02308	0.2
93.03357	84.4
94.03680	2.6
96.95897	0.4
97.02848	0.2
99.04391	0.1
101.02346	0.1
107.04937	0.1
109.02846	0.2
110.63030	0.1
113.02293	0.1
121.02784	0.2
122.03658	0.5
133.02887	0.8
135.04443	1.0
137.02373	100.0
138.02707	4.2
152.99527	0.3
155.03560	0.2
161.02409	1.9
161.09668	0.2
163.03867	0.2
171.10260	0.1
173.04535	1.0
177.01926	0.1
179.03462	0.9
187.11343	0.2
189.05455	0.1
189.12822	3.9
190.13191	0.3
191.05559	1.6
191.07155	0.8
197.11742	0.2
205.08679	2.9
206.09111	0.2
207.10277	0.2
209.11884	0.3
258.49747	0.1
265.05042	0.1
269.19144	0.5
290.45966	0.1
291.02979	0.1
297.23438	0.1
299.07758	0.1
300.02872	0.1
305.00967	0.5
313.18161	25.1
314.18481	2.8
331.19211	0.7
332.19504	0.1
333.00461	0.5
334.01135	0.1
335.07898	0.1
343.83868	0.1
353.09018	0.2
440.46310	0.1
452.16049	0.2
525.22528	0.1
537.19153	0.1
577.16382	0.2
613.19635	0.1
613.28638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	2.0
59.01269	9.3
59.75770	0.8
60.99188	2.2
61.98706	2.2
69.03365	1.3
71.01271	4.6
71.63406	1.2
72.99204	28.8
73.02849	1.9
75.00768	1.0
83.01254	1.3
83.04931	1.4
85.02862	5.0
87.00777	2.1
88.98708	10.4
89.02337	2.6
91.00300	1.2
93.03358	6.2
96.95910	2.9
97.02872	1.4
99.00768	0.9
101.02344	2.7
103.00268	1.2
103.35120	0.7
108.02093	1.0
109.02899	1.8
113.02349	4.9
113.09665	2.4
116.92792	1.1
117.03412	2.5
119.04953	100.0
120.05318	4.2
121.02876	2.8
123.09705	0.8
132.02089	2.0
133.02890	2.1
134.03677	10.0
135.04420	3.1
137.02377	2.5
139.88080	0.7
145.02916	6.8
149.06041	1.6
155.03485	1.4
159.04471	1.0
160.01575	7.0
161.02309	2.2
162.03127	1.2
163.03967	74.9
164.04303	3.0
165.01886	1.8
165.05505	0.7
173.04507	7.2
173.05894	1.5
173.11804	23.9
174.12198	1.1
175.03967	9.1
177.01950	1.5
178.02733	1.5
179.03566	1.8
180.04102	0.9
187.07565	0.9
189.98338	0.9
191.05594	21.1
191.07332	1.0
192.05891	1.4
193.05005	9.9
195.06639	0.9
225.07573	1.0
231.17616	1.8
247.99008	0.8
253.08708	1.2
256.03336	1.3
259.20782	2.3
263.07254	1.2
275.16516	1.7
277.07080	1.1
277.21875	1.1
279.06668	1.0
283.02692	1.6
284.02942	1.4
285.03488	1.0
303.19760	9.2
307.08319	1.4
321.20840	2.3
325.09442	1.2
337.09247	1.4
347.18710	2.6
365.19794	31.7
366.20142	3.3
389.19867	3.6
407.20782	1.1
419.10049	0.9
439.12613	25.5
440.12833	1.9
450.58777	0.9
457.13644	13.0
458.14056	1.9
565.20996	0.9
569.26636	4.1
570.26111	0.9
613.16882	3.2
613.25250	53.4
614.25653	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	613.267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37727	0.1
56.88363	0.1
59.01265	0.4
59.22368	0.1
59.57482	0.1
61.98717	0.3
66.87331	0.1
71.57787	0.2
81.03358	0.2
85.02841	0.1
92.05013	0.1
93.03378	0.6
97.02876	0.5
108.02071	0.7
109.02869	0.7
119.01328	0.3
136.01602	2.2
137.02376	100.0
138.02710	4.3
161.02376	0.2
171.10263	0.3
179.03503	0.2
189.12871	0.3
191.05643	0.2
197.02287	0.1
205.08717	0.3
223.13359	0.2
281.06772	0.2
281.84586	0.1
299.07776	5.3
300.08200	0.4
313.18243	0.4
331.19315	0.3
367.16599	0.1
613.26654	16.5
614.26971	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	613.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48175	0.9
55.01769	1.5
55.08256	1.1
57.03306	1.3
58.00468	1.5
59.01270	100.0
60.01592	1.4
60.34517	1.3
68.21921	1.0
69.03357	1.8
70.42393	1.8
70.42793	2.5
71.01275	37.3
71.04933	1.3
72.99193	3.2
73.02840	48.8
73.36759	1.1
75.00787	2.4
78.95811	1.6
81.03363	1.9
83.01280	15.1
83.04917	2.2
85.02836	5.5
87.00758	2.7
89.02352	6.1
93.03355	7.9
95.01291	2.3
95.04948	7.2
96.95921	18.0
97.02863	4.5
101.01695	2.5
101.02355	46.3
108.02098	6.2
109.02894	7.0
109.06626	1.1
111.00822	1.4
111.04429	2.6
111.08060	4.6
113.02365	14.2
115.07573	2.9
117.03391	3.4
119.03443	4.7
119.04929	6.8
121.02921	2.6
123.04418	1.4
123.08086	3.6
125.02325	2.0
127.04029	1.3
127.07571	8.4
131.03445	3.7
133.02885	3.9
134.03683	35.7
135.04482	14.3
137.02368	2.7
139.03996	6.5
139.07524	1.7
143.03442	4.7
145.02876	3.6
147.04463	2.3
149.04639	6.0
149.05972	6.8
152.01125	10.8
153.01813	1.8
155.03485	2.2
158.03700	1.4
159.04469	2.1
160.01613	5.0
161.02461	5.5
161.04526	11.2
161.09641	1.4
162.06761	1.3
163.04007	6.7
173.04546	2.8
173.08119	4.8
173.09518	1.3
175.03990	6.5
178.02640	3.7
179.03481	6.2
187.03941	1.3
191.05580	12.6
191.07159	12.1
193.05052	18.7
203.05507	1.6
203.10751	2.6
205.08714	9.9
213.05557	4.1
221.06586	3.0
226.06412	1.6
227.07158	4.7
241.05119	15.0
242.05547	2.0
243.05048	1.1
253.05141	1.6
256.07465	10.4
268.07562	2.7
269.08069	1.5
271.09821	17.3
272.10248	1.4
273.14905	1.4
277.12589	1.3
281.03113	10.6
281.08295	1.8
283.09811	6.8
284.10468	2.2
285.18723	1.3
325.10825	1.3
329.17554	3.1
341.05255	3.3
343.11948	8.6
347.18726	42.9
348.19009	4.5
365.19815	32.7
366.20230	2.7
369.09821	2.7
387.10931	18.3
388.11411	2.3
389.19727	4.5
393.09872	2.0
447.11719	2.7
455.12326	1.5
553.13721	11.6
554.14105	2.5
588.68628	1.4
613.16608	9.9
614.18726	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69701	0.2
59.01262	3.3
63.82860	0.2
69.03318	0.2
69.84653	1.4
71.01269	0.9
73.02824	0.4
75.74166	0.3
78.95795	65.3
85.02845	0.7
87.00800	0.5
93.03351	0.7
95.01287	0.5
95.04916	0.8
96.96865	55.2
97.02850	0.6
97.99960	0.2
101.02355	0.3
102.31950	0.2
108.02050	0.4
109.02841	0.5
111.04439	0.4
113.02371	0.3
117.03397	0.4
118.45655	0.2
119.04937	1.0
121.02897	0.4
129.01857	0.3
133.02873	2.1
134.03676	3.7
135.04463	3.2
137.02377	0.3
139.00259	0.3
139.03917	1.2
145.02904	1.0
147.04401	0.3
149.06006	0.3
152.01105	0.4
159.04477	0.6
161.02393	5.2
161.06046	0.3
163.03957	1.1
173.04536	0.4
179.03468	2.8
191.05579	1.8
193.05043	1.9
213.05551	0.8
233.09497	100.0
234.09827	4.4
241.05124	3.0
242.05385	0.3
243.05266	0.3
243.86075	0.2
255.61629	0.2
256.07532	2.1
267.06790	0.5
271.09805	4.5
272.10156	0.5
274.09344	0.3
281.03116	1.7
281.08170	0.3
295.05914	0.3
299.65320	0.2
325.10849	0.4
343.11890	0.5
347.18646	0.4
369.09781	0.3
387.10950	1.4
393.09708	0.3
509.10962	0.3
538.75006	0.3
553.13959	1.3
569.13330	1.8
569.26068	0.7
570.14105	0.3
613.16119	1.1
614.16431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.5
57.03341	2.7
59.01266	3.1
59.76711	0.3
61.98708	1.9
67.01781	0.4
69.03353	0.4
69.41425	2.8
71.01268	2.9
72.99202	17.2
73.02850	1.1
75.00761	0.4
78.95795	0.5
81.03367	0.4
83.04913	4.7
85.02844	2.0
87.00773	0.9
89.02347	0.9
93.03371	2.8
96.95882	1.5
97.02863	0.7
98.20618	0.5
98.95499	0.5
99.00788	1.4
101.02366	1.2
109.02906	0.6
109.06532	1.1
111.04454	0.6
111.08075	30.0
112.08401	1.5
113.02373	3.0
116.92782	3.9
117.03404	1.6
119.04950	100.0
120.05286	4.5
121.02879	1.3
123.04547	0.5
125.13580	0.3
129.05467	0.3
129.09154	1.9
131.03445	0.4
132.05733	0.4
133.02895	1.6
134.03679	1.6
135.04454	4.5
137.02400	0.5
142.12596	0.3
145.02893	4.5
147.04486	0.5
152.01115	0.4
155.03452	0.4
155.07063	0.5
159.04359	0.4
161.02409	1.1
161.04671	0.3
161.06010	0.8
162.03157	1.1
162.81731	0.3
163.03964	61.0
164.04329	2.4
165.01941	0.4
167.09280	0.3
173.04526	1.1
173.08154	24.3
174.08476	1.1
175.03944	0.4
175.07623	0.4
178.02654	0.4
179.03510	3.1
191.05611	4.9
192.05835	0.6
193.05113	0.8
201.04059	0.6
205.05078	0.9
235.07669	1.1
237.09268	0.7
241.05168	0.4
255.02922	0.4
261.05771	0.8
262.26700	0.3
263.07208	5.6
264.07611	0.7
277.07294	1.2
281.03146	0.4
283.02386	0.5
285.03979	0.5
307.08221	0.4
325.09216	1.0
347.18515	0.7
439.12527	8.4
440.12863	0.7
440.24576	0.3
449.16965	0.7
455.11981	1.3
457.13635	12.3
458.13940	1.0
473.12805	0.3
569.26135	0.6
613.21521	65.9
614.21997	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	613.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96985	0.4
52.86542	0.4
53.27341	0.4
59.01264	2.8
64.94566	0.5
69.03352	0.7
71.01279	2.3
72.89416	0.4
72.99221	2.6
73.02840	2.6
75.00776	0.5
78.95810	1.5
85.02854	2.3
87.00787	1.4
89.02348	1.0
93.03363	61.8
94.03708	2.5
95.01292	0.7
95.04919	0.5
96.95918	1.9
96.96868	1.0
97.02882	0.5
99.00790	0.7
101.02357	1.2
108.02086	6.3
109.02874	0.9
111.04420	0.6
112.44495	0.4
113.02352	1.1
119.03384	0.4
119.04938	3.7
120.05288	0.8
121.02879	0.6
125.02377	0.5
127.07618	0.8
129.01834	0.6
133.02919	0.7
134.03700	0.7
135.04459	0.9
135.08075	1.8
137.02382	79.8
137.09651	7.0
138.02725	2.3
143.92517	0.6
145.02881	0.7
151.03990	0.5
152.01105	11.5
153.01830	0.6
155.10725	95.0
156.11057	5.6
160.01540	0.5
161.02342	0.9
163.03957	2.6
164.04312	0.5
173.04521	1.5
175.03963	0.9
179.03447	1.1
181.08667	0.5
191.05632	5.6
192.05980	0.6
193.05011	0.7
199.09746	40.7
200.10033	2.6
233.09412	1.1
241.05203	0.9
241.10941	0.7
255.03317	0.5
256.07455	0.7
271.09821	0.5
281.03201	1.2
281.34375	0.4
310.08603	0.5
341.05099	0.7
347.18744	0.7
365.19714	0.9
413.10965	6.9
429.10529	1.3
431.11987	2.8
447.11389	0.6
454.37863	0.5
459.13873	0.8
475.18396	3.3
613.21515	100.0
614.21924	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04236	0.2
51.77525	0.2
55.00957	0.3
57.03334	1.5
59.01265	3.3
60.53120	0.2
69.03344	3.0
70.74147	0.4
70.74486	0.6
71.01273	2.3
71.04913	0.5
72.99190	0.9
73.02832	0.7
78.95795	0.8
79.01784	0.4
81.03342	0.7
81.92696	0.2
83.01286	0.4
83.04945	0.2
85.02841	2.3
87.00780	0.7
89.02351	0.5
93.03358	0.9
95.01278	1.4
95.04907	0.3
96.95896	1.0
96.96876	0.6
97.02865	0.6
99.00793	0.8
99.74258	0.2
101.02350	1.1
107.04945	0.4
108.02077	47.0
109.02890	9.4
110.03191	0.3
110.45152	0.3
111.00782	0.5
111.04386	0.3
111.08070	0.4
113.02354	1.9
117.03362	0.9
119.04949	3.5
121.02898	0.8
123.00814	0.7
123.04439	0.6
125.02358	0.5
129.01848	0.5
132.02055	0.6
133.02878	9.3
134.03708	2.6
135.04446	9.7
136.04726	0.5
137.02371	0.4
139.03928	0.6
139.11227	2.7
145.02911	2.2
146.03645	0.5
147.04477	0.6
149.06035	0.4
151.00317	0.6
151.03946	1.0
152.01093	100.0
153.01651	4.8
159.04460	1.5
161.02391	19.8
161.04549	0.5
161.06013	0.7
162.02684	1.2
163.03946	6.9
173.05984	0.3
175.03961	0.6
177.01904	1.0
178.02678	0.6
179.03452	9.0
183.10269	2.1
187.03926	0.5
191.05635	0.3
193.05014	1.2
195.06587	0.5
201.04001	0.3
205.05040	0.8
207.03046	0.9
213.05450	0.5
215.07082	0.4
219.03114	0.3
219.05128	0.3
239.07187	0.3
241.05084	1.4
243.05112	0.5
255.06769	0.3
256.07523	1.3
256.25449	0.2
257.08112	0.3
271.09927	1.9
281.03162	0.8
281.08432	0.2
295.06155	0.4
297.06207	0.9
315.07227	1.1
329.06522	0.4
343.11945	0.4
347.18524	0.5
351.08899	0.4
367.11792	0.7
369.09961	0.4
387.10809	0.5
393.09875	0.8
423.09421	1.1
429.10455	11.6
430.10913	1.5
447.11618	5.1
448.11572	0.3
509.10736	0.5
553.14636	0.4
569.13007	5.3
570.13446	1.3
613.21527	82.4
614.21857	13.4
614.32007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10882	0.7
57.58708	0.8
59.01258	8.6
60.99196	5.1
61.98729	0.8
64.66033	0.7
67.01779	14.1
67.83890	0.9
69.03331	4.6
70.72920	1.6
70.73292	1.4
71.01270	9.0
81.03352	3.7
83.04922	2.3
85.02840	9.4
87.00771	17.3
88.47437	0.7
89.02351	3.8
93.03358	100.0
94.03680	3.2
95.04911	0.7
97.02837	1.3
99.00793	2.3
99.04413	3.8
101.02348	1.7
109.02882	1.7
111.04435	17.5
111.05150	1.5
113.02363	2.6
115.03914	1.3
119.04980	1.1
121.02801	0.9
125.02393	1.8
127.03900	2.1
129.01888	1.8
132.02100	9.3
133.02902	14.7
134.03696	5.6
135.04463	9.9
136.04822	0.9
137.02382	3.1
143.03479	3.8
145.02904	1.4
146.03687	1.1
149.04445	1.3
155.03438	5.2
160.01614	20.8
161.02422	9.6
162.02777	2.4
163.04034	1.9
171.02974	0.8
173.04509	80.1
174.04845	2.7
177.01849	2.9
178.02705	5.7
179.03479	8.3
185.02464	2.8
191.05582	66.1
192.04395	0.9
192.05856	3.7
193.04982	4.1
203.78862	0.8
223.88339	0.7
233.06622	0.9
275.09344	1.5
275.23749	0.9
293.08932	2.5
319.22775	1.2
321.07785	7.9
339.08820	6.1
351.07242	2.7
352.07761	1.0
367.10428	18.5
368.10828	2.1
451.15039	1.9
467.15741	1.8
513.14130	73.2
514.14423	10.5
613.27136	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60609	0.9
55.32259	0.9
59.01267	47.9
69.03362	1.5
70.22223	2.9
71.01266	12.7
71.03053	1.0
73.02913	0.7
75.00766	0.9
77.03869	2.5
78.95795	51.7
80.02567	1.2
81.03353	1.4
83.01279	1.2
83.04921	1.5
85.02843	1.3
87.00790	1.3
89.03866	2.7
91.95465	0.9
93.03366	10.0
95.01299	1.7
95.04927	22.6
96.95905	3.0
96.96866	44.2
96.99194	4.2
97.02855	3.7
98.00009	10.0
98.20526	1.2
99.00806	2.5
101.02399	1.1
108.02075	3.4
109.02877	6.7
111.00809	2.1
111.04456	6.7
113.02379	1.6
115.00290	3.1
117.03379	7.5
119.04947	3.5
121.02887	7.2
123.04434	1.9
132.02089	0.9
133.02893	1.5
134.03670	86.5
135.03979	2.2
135.82521	1.0
137.02385	2.3
139.00323	1.0
139.03947	28.7
140.04306	1.0
145.02910	9.4
146.03680	5.5
147.04472	8.4
148.01523	1.5
148.05232	2.3
149.06033	9.8
152.01105	4.6
157.06650	0.8
158.03693	3.8
159.04445	7.2
160.01614	3.7
161.02400	3.8
161.06027	2.4
163.03947	4.0
173.04512	2.1
173.05962	1.3
175.03999	3.1
178.02661	6.3
179.03529	1.3
183.02989	4.0
185.06107	2.7
187.03951	1.4
191.05594	4.5
193.05042	49.5
194.05428	3.4
195.04549	2.5
197.06183	1.8
212.04846	3.1
213.05559	20.7
214.05971	1.4
223.04076	3.3
224.04803	4.0
233.09502	73.4
234.09865	2.6
239.07166	1.1
240.04318	2.3
241.05090	80.5
242.05450	6.5
243.05121	6.0
255.06702	1.3
256.07455	52.3
257.07828	5.0
266.05957	3.3
267.06662	3.9
268.07471	2.4
269.08377	1.2
270.08862	0.9
271.09814	100.0
272.10190	8.4
281.03104	51.6
281.08237	4.2
282.03427	3.5
282.08917	2.9
283.09848	2.6
284.10583	2.2
295.06369	5.2
295.09088	1.0
299.13351	0.9
310.08429	4.9
325.10895	4.1
341.05258	3.6
343.11938	21.2
344.12250	1.7
354.07587	1.7
369.09766	9.5
387.10965	27.1
388.11359	2.7
429.10770	0.9
497.01746	0.9
505.08957	0.9
553.13678	27.8
554.14069	4.6
613.14978	15.1
614.16547	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03069	0.5
57.03343	1.8
58.02848	0.8
59.01265	13.7
61.98727	2.9
67.12301	0.6
68.99696	0.6
69.03345	3.0
69.42275	4.4
71.01267	3.4
73.02844	1.3
75.00767	1.1
79.01779	0.5
81.03361	1.1
83.01295	1.6
83.04917	1.0
85.02840	4.9
87.00773	31.9
89.03889	0.7
93.03361	2.7
95.01289	0.5
95.04950	0.7
96.95911	1.7
97.02876	3.8
98.95506	1.3
99.00807	0.7
101.02334	3.2
102.01878	1.5
107.04779	0.5
108.02019	0.7
109.02859	1.8
111.00808	3.4
111.04444	2.5
113.02356	2.6
117.03386	5.0
119.04968	2.0
121.02873	2.0
123.04445	0.8
127.03969	0.7
129.01869	8.8
130.04156	1.5
132.02109	15.8
133.02916	4.8
133.86598	0.5
134.03668	72.9
135.04367	3.6
136.01617	0.5
137.02373	6.3
139.03925	1.9
141.01859	1.0
145.02870	1.0
147.04424	3.1
148.05186	1.4
149.04842	0.9
149.06027	13.7
150.03178	1.3
150.06570	0.7
157.04987	0.6
158.03679	51.5
159.04391	4.0
159.56361	0.5
160.01608	71.8
161.02371	8.3
163.03938	1.4
165.01897	1.1
165.05531	0.7
173.06036	45.3
174.03189	0.8
174.06419	2.3
175.03963	100.0
176.04437	6.3
177.01895	0.8
178.01180	0.9
178.02664	13.4
179.03432	3.1
180.04140	0.5
183.02968	3.4
191.05547	2.5
191.07126	9.4
192.07346	0.8
193.05035	88.5
194.05394	5.2
195.06567	0.7
201.01953	7.4
201.03998	40.5
202.02663	7.0
202.04372	1.1
203.03444	2.3
204.03853	0.5
207.06631	0.8
217.05054	31.5
218.05391	2.2
219.03046	0.8
219.05090	10.2
227.07106	0.7
229.08664	0.8
231.10301	0.5
233.08234	1.1
235.06157	3.6
243.10321	0.6
245.08337	0.7
247.06155	0.7
261.07605	0.6
265.07248	0.8
271.06235	0.5
271.09869	1.4
287.09354	1.2
293.67874	0.5
295.39047	0.5
299.01889	0.7
305.06555	0.7
307.08258	3.8
315.08789	2.1
319.08170	1.0
320.76074	0.5
331.19205	1.7
333.10025	0.9
359.07773	3.1
377.08804	2.9
395.09915	81.9
396.10287	8.3
419.09933	13.0
420.10410	1.2
437.10962	2.5
481.15158	1.4
509.14536	0.7
531.93579	0.6
553.13678	2.8
613.15668	19.8
614.15839	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	613.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60609	0.9
55.32259	0.9
59.01267	47.9
69.03362	1.5
70.22223	2.9
71.01266	12.7
71.03053	1.0
73.02913	0.7
75.00766	0.9
77.03869	2.5
78.95795	51.7
80.02567	1.2
81.03353	1.4
83.01279	1.2
83.04921	1.5
85.02843	1.3
87.00790	1.3
89.03866	2.7
91.95465	0.9
93.03366	10.0
95.01299	1.7
95.04927	22.6
96.95905	3.0
96.96866	44.2
96.99194	4.2
97.02855	3.7
98.00009	10.0
98.20526	1.2
99.00806	2.5
101.02399	1.1
108.02075	3.4
109.02877	6.7
111.00809	2.1
111.04456	6.7
113.02379	1.6
115.00290	3.1
117.03379	7.5
119.04947	3.5
121.02887	7.2
123.04434	1.9
132.02089	0.9
133.02893	1.5
134.03670	86.5
135.03979	2.2
135.82521	1.0
137.02385	2.3
139.00323	1.0
139.03947	28.7
140.04306	1.0
145.02910	9.4
146.03680	5.5
147.04472	8.4
148.01523	1.5
148.05232	2.3
149.06033	9.8
152.01105	4.6
157.06650	0.8
158.03693	3.8
159.04445	7.2
160.01614	3.7
161.02400	3.8
161.06027	2.4
163.03947	4.0
173.04512	2.1
173.05962	1.3
175.03999	3.1
178.02661	6.3
179.03529	1.3
183.02989	4.0
185.06107	2.7
187.03951	1.4
191.05594	4.5
193.05042	49.5
194.05428	3.4
195.04549	2.5
197.06183	1.8
212.04846	3.1
213.05559	20.7
214.05971	1.4
223.04076	3.3
224.04803	4.0
233.09502	73.4
234.09865	2.6
239.07166	1.1
240.04318	2.3
241.05090	80.5
242.05450	6.5
243.05121	6.0
255.06702	1.3
256.07455	52.3
257.07828	5.0
266.05957	3.3
267.06662	3.9
268.07471	2.4
269.08377	1.2
270.08862	0.9
271.09814	100.0
272.10190	8.4
281.03104	51.6
281.08237	4.2
282.03427	3.5
282.08917	2.9
283.09848	2.6
284.10583	2.2
295.06369	5.2
295.09088	1.0
299.13351	0.9
310.08429	4.9
325.10895	4.1
341.05258	3.6
343.11938	21.2
344.12250	1.7
354.07587	1.7
369.09766	9.5
387.10965	27.1
388.11359	2.7
429.10770	0.9
497.01746	0.9
505.08957	0.9
553.13678	27.8
554.14069	4.6
613.14978	15.1
614.16547	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58565	0.3
59.01262	8.1
61.98732	0.3
64.00533	0.3
68.99712	0.5
69.67199	1.4
69.67622	0.9
71.01284	1.8
72.99194	0.7
73.02838	1.6
77.03849	0.5
81.03358	0.7
83.01257	1.5
85.02838	1.4
86.15034	0.3
87.00769	1.0
89.02303	0.5
93.03350	1.9
95.01282	0.6
96.29893	0.3
96.95920	1.8
97.02858	1.7
98.19795	0.7
101.02348	1.2
105.03391	0.8
107.04917	0.6
108.02076	0.6
109.02884	2.5
111.00782	0.8
111.04440	0.8
111.08115	0.7
113.02341	0.7
116.92750	0.6
117.03357	3.7
119.04943	15.1
120.05305	0.6
121.02860	1.7
123.04453	0.7
129.01857	2.1
131.04951	0.5
132.02080	3.3
132.05705	0.4
133.02879	51.9
133.06487	1.3
134.03740	4.0
135.04446	47.4
136.04788	1.4
137.02335	2.3
139.03943	1.0
145.02890	10.2
147.04486	0.5
150.03168	0.4
152.01051	0.6
154.53615	0.3
159.04475	1.3
160.01593	0.8
161.02386	100.0
161.05931	2.5
162.02740	3.6
163.03949	13.5
173.04614	0.7
173.06015	0.7
175.03995	0.6
178.02678	1.3
179.03458	42.9
180.03806	2.1
183.02902	0.5
187.03969	0.4
187.07477	0.6
191.05580	2.3
193.03574	0.4
193.05156	0.6
201.03993	0.9
201.05637	0.9
201.59602	0.3
203.03360	0.8
205.05093	2.2
213.42307	0.4
215.07091	2.2
235.06084	0.6
239.07124	1.9
243.04941	0.6
257.04608	0.5
257.08176	1.2
258.08591	0.4
259.06183	0.9
263.07248	0.4
275.09076	0.4
285.07748	0.5
301.07236	1.0
319.08429	0.6
329.06735	2.4
329.17352	0.5
347.07877	0.6
347.18555	2.1
353.08557	0.5
363.07303	0.8
364.31610	0.4
397.09225	0.6
407.09912	3.0
423.09381	5.7
437.12582	0.7
465.12134	2.1
509.11078	2.0
525.13678	0.8
527.11969	3.3
528.12158	0.8
569.13116	46.3
569.25781	2.4
570.13434	7.9
613.21558	1.9
614.23120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03359	0.7
59.01265	5.8
69.03323	0.6
70.59097	1.6
70.59502	1.1
71.01268	0.6
72.99181	0.5
74.06248	0.6
83.01283	1.0
85.02821	0.8
87.00786	0.9
88.28197	0.5
93.03350	1.5
96.96867	1.0
97.02831	0.8
105.03374	0.7
107.04912	1.2
108.02078	6.5
109.02880	3.4
117.03359	2.2
117.53039	0.6
119.04937	16.5
120.05282	0.6
121.02846	1.4
129.01860	1.9
132.02097	2.4
133.02881	49.9
133.06473	1.1
134.03757	4.1
135.04448	46.2
136.04834	1.5
137.02321	2.1
139.03987	1.1
145.02881	10.0
152.01089	11.5
153.01892	0.8
159.04431	4.7
161.02386	100.0
161.05939	3.2
162.02737	3.0
163.03938	14.8
177.05591	0.8
178.02736	1.0
179.03458	40.8
180.03807	1.9
203.03499	1.8
205.05051	2.5
213.05531	0.8
215.07146	2.4
239.07127	1.3
257.04660	0.8
257.08350	1.4
259.06207	1.2
301.07266	1.1
329.06796	2.3
331.19092	0.7
407.09805	1.4
423.09494	5.5
429.10425	1.5
452.77826	0.6
465.12064	1.4
485.24200	0.7
509.11252	1.5
527.11517	0.8
569.13147	32.8
570.13354	5.6
613.21533	10.6
614.21771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.6
69.97380	0.4
69.97790	0.2
71.01269	0.2
72.99174	0.1
73.00890	0.1
79.95625	2.4
81.00198	0.1
85.02840	0.4
87.10715	0.1
93.03363	0.4
96.95914	100.0
97.95853	0.4
107.04905	0.1
108.02073	0.2
111.04423	0.2
119.04974	0.2
127.03921	0.1
133.02899	1.2
134.03671	0.3
135.03426	0.2
135.04451	3.3
136.04726	0.2
137.02364	0.2
145.02901	0.2
152.01079	0.6
155.03494	0.1
159.04588	0.1
161.02394	2.2
162.02791	0.2
163.04037	0.2
168.65662	0.1
173.04510	0.9
179.03459	4.1
180.03801	0.2
191.05583	5.3
192.05956	0.2
193.05070	0.1
232.76758	0.1
353.08853	4.7
354.08902	0.5
515.11951	1.3
516.12640	0.3
569.13470	0.6
569.22144	0.2
613.21497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.4
69.03330	0.8
71.01263	1.0
71.58819	1.0
72.99203	0.6
78.95770	0.6
85.02837	0.8
87.00800	0.8
93.03349	0.9
95.04942	0.6
97.52654	0.5
121.02853	3.9
130.51685	0.5
135.04416	0.9
148.08926	0.9
150.10435	0.8
165.12804	16.6
166.13116	0.8
171.10219	0.6
182.34537	0.5
191.05609	5.9
225.11377	0.7
247.20746	8.3
273.18652	5.4
291.19720	100.0
292.20062	8.7
298.24164	0.5
311.22266	0.6
319.22839	8.7
320.23309	1.1
610.78149	1.9
611.28735	1.3
611.38171	1.2
612.31775	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	613.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.5
68.03261	0.1
70.45485	0.2
70.45851	0.2
71.01257	0.5
71.78675	0.1
72.99173	0.1
73.02840	0.3
75.00768	0.1
78.95797	0.1
79.95631	1.8
83.01267	0.2
85.02847	0.3
87.00735	0.1
93.03352	0.3
95.01296	0.2
95.04945	0.2
96.95914	100.0
97.02871	0.1
97.95854	0.3
98.95575	0.1
101.02341	0.3
108.02090	0.1
109.02837	0.2
111.00785	0.1
111.04433	0.2
111.38841	0.1
113.02338	0.1
113.92388	0.1
117.03426	0.1
119.04946	0.3
121.02878	0.2
127.03927	0.1
133.02908	0.8
134.03676	1.0
135.04453	3.9
136.04802	0.1
137.02397	0.1
139.03932	0.3
145.02911	0.2
147.04510	0.1
149.06036	0.3
152.01167	0.2
153.01842	0.1
159.04483	0.2
160.01581	0.2
161.02406	1.6
161.06169	0.1
163.03944	0.3
165.73415	0.1
168.83861	0.1
173.04533	0.4
173.05898	0.1
175.03996	0.2
179.03462	3.9
180.03819	0.1
191.05585	7.6
192.05934	0.3
193.05052	0.7
194.05434	0.1
197.04527	0.3
198.04939	0.1
241.05135	0.3
256.07504	0.3
271.09778	0.6
281.03098	0.3
283.09805	0.1
325.11017	0.1
343.12039	0.5
347.18704	0.4
353.08847	8.2
354.09253	0.7
365.19760	0.4
369.09952	0.1
387.10974	0.7
515.12140	1.0
516.11987	0.3
519.40417	0.1
553.13623	0.4
554.13757	0.1
569.13055	0.5
613.16217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47593	0.3
58.07576	0.3
59.01257	0.9
60.65368	0.3
70.65609	0.7
71.01264	0.8
78.95796	12.6
79.95638	3.1
87.00795	0.4
93.03352	0.5
94.70477	0.3
96.95917	100.0
96.96836	20.1
97.95908	0.3
98.02367	0.7
98.90634	0.4
113.02418	0.4
118.96498	0.5
135.04419	1.0
161.02399	0.9
173.04480	0.9
191.05571	1.2
201.75366	0.3
277.21756	3.4
278.22147	0.6
283.13318	0.5
351.06247	1.6
411.23346	0.3
550.08887	0.4
610.78540	0.5
611.27631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19016	0.3
56.90560	0.2
56.98760	0.3
57.03315	0.6
59.01264	2.2
61.98715	0.9
70.63580	0.6
71.01261	0.7
71.49313	0.2
78.95791	49.1
79.88251	0.2
83.04963	0.3
87.00748	0.3
93.03368	0.4
96.95909	0.7
96.96862	8.9
109.13152	0.3
113.09634	2.1
133.02885	0.9
133.14049	0.3
134.03604	0.4
135.04478	0.5
150.97943	0.8
152.99522	61.4
153.99849	1.0
161.02408	0.9
171.00571	1.8
177.12874	0.5
179.03452	0.5
179.14331	0.8
181.12332	0.5
191.05600	1.3
195.12035	0.6
195.13884	17.0
196.14227	1.3
223.00127	7.3
241.01204	20.9
242.01457	0.4
255.65889	0.3
259.02347	1.8
277.21780	14.9
278.22141	1.8
293.21457	0.5
295.22830	49.2
296.23172	4.6
315.04947	7.0
333.05930	1.1
339.54114	0.3
343.81857	0.3
423.62262	0.3
449.14365	0.3
611.28473	100.0
612.28802	17.7
612.39044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75702	1.0
57.03328	1.8
59.01272	10.1
61.98719	2.7
69.88257	4.4
69.88673	2.0
71.01278	15.5
72.79063	1.0
72.99187	1.8
73.02835	6.4
76.46481	1.0
78.95780	1.0
80.96403	1.7
81.03311	1.1
83.01287	1.6
85.02837	7.7
87.00807	2.0
89.02330	3.3
93.03365	4.1
95.01291	1.1
96.95913	4.3
97.02872	0.9
99.00797	3.7
101.02347	12.3
111.08050	1.8
113.02353	9.6
116.92753	2.4
119.03391	1.1
125.02419	1.3
125.92295	1.1
133.02893	3.3
134.03670	5.9
135.04471	11.6
137.02382	2.1
159.03026	1.6
161.02383	4.1
161.04498	7.4
165.11415	1.7
165.12823	25.6
166.13142	1.3
173.04539	7.3
178.02682	2.5
179.03490	6.2
183.13896	100.0
184.14175	4.8
191.05624	4.3
192.06038	1.1
205.62741	1.2
209.11798	1.9
227.12914	49.5
228.13208	2.2
260.82150	1.0
268.08139	1.1
269.10413	8.6
271.34854	1.0
275.09436	3.4
352.08099	4.0
353.08875	1.4
401.14645	49.9
402.14993	4.0
437.06720	1.2
449.14880	6.3
450.63739	1.1
489.23154	1.6
513.03967	1.2
569.11884	1.2
611.27222	81.5
612.27435	12.2
616.04291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03370	1.2
59.01263	20.1
60.99195	2.0
61.98718	1.5
69.03344	1.5
69.61103	8.5
71.01274	8.9
71.04911	21.0
72.99207	1.5
73.02833	5.0
75.00748	1.8
83.01257	1.6
83.04891	1.3
85.02842	7.4
87.00771	2.3
88.98703	7.4
89.02357	1.8
89.90910	1.2
93.03349	3.4
95.01286	2.2
96.95900	11.5
97.02852	10.4
98.95463	2.7
101.02350	6.7
109.02865	3.6
109.06477	1.4
111.04440	3.1
113.02347	9.1
116.92761	6.3
117.40787	1.0
119.04968	2.7
123.08084	30.1
124.08410	1.5
125.02366	1.7
127.07584	6.9
133.02878	1.6
133.10088	1.6
135.04456	2.7
143.03429	1.5
145.02890	3.1
145.10143	1.4
155.03479	1.2
161.02423	1.4
161.04474	2.4
161.09657	2.4
163.03917	1.5
173.04535	5.1
177.09070	1.4
179.03426	3.3
187.07811	1.4
189.09186	16.9
191.05553	13.7
191.07144	10.5
192.07515	1.1
198.89262	1.2
205.08665	12.0
217.15953	2.9
219.13869	5.1
221.08318	1.6
225.11221	1.4
231.13986	2.7
245.11832	4.6
255.02979	2.9
259.13425	1.4
259.20743	1.5
263.12961	6.6
275.09393	1.4
275.12738	3.4
283.02475	4.6
284.03253	1.6
285.03983	2.0
285.18567	2.2
287.12958	2.4
303.19656	7.1
322.05093	1.2
329.17651	76.1
330.17926	7.9
347.18704	100.0
348.19095	10.6
353.08942	2.3
361.20377	3.3
371.18716	15.0
372.19067	2.2
389.19809	8.6
419.11191	3.1
444.45471	1.3
449.14737	1.8
531.56677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28331	1.4
57.03335	1.9
59.01265	100.0
67.01759	2.2
68.07836	1.4
69.03353	3.5
71.01271	44.5
71.04920	6.4
71.57252	3.0
73.02837	45.1
73.03251	2.3
75.00758	3.2
81.03377	2.1
83.01286	16.6
83.04922	3.7
84.45627	1.7
85.02847	9.9
86.51343	1.4
87.00806	1.7
88.98715	3.4
89.02333	10.3
93.03386	4.5
95.01295	1.6
96.95919	31.0
97.02853	2.6
99.04444	1.6
101.02348	50.3
101.03010	2.6
108.02042	2.6
109.02868	5.1
109.06518	2.6
111.04443	3.0
113.02364	16.4
119.03391	5.2
121.02872	2.4
123.08113	3.5
125.02377	3.9
131.03442	4.5
133.02861	7.4
134.03635	2.7
135.04463	7.6
136.04710	1.5
137.02412	2.7
137.06046	2.3
139.07547	2.6
143.03438	4.7
145.02849	1.9
147.08113	1.9
149.04565	7.5
149.05750	1.3
149.06015	1.3
150.03169	2.4
152.01123	5.0
155.03487	2.7
161.02414	6.3
161.04472	12.7
163.03987	1.6
163.11191	2.4
165.05556	1.8
173.04532	4.3
175.04044	1.9
177.01889	3.9
179.03525	2.9
180.03661	2.0
191.05569	22.3
191.07121	2.5
197.04608	1.6
203.05650	1.9
213.12794	3.4
215.14410	2.3
217.12437	1.7
221.06712	3.0
229.12245	1.5
257.12036	2.0
257.19241	3.0
259.13443	4.2
271.02444	2.6
283.17172	2.1
301.18185	12.2
317.17709	3.5
345.17145	43.0
346.17523	4.8
351.07187	1.7
353.08932	3.3
363.18240	29.9
364.18472	2.6
387.18307	2.5
473.19824	1.7
551.23920	1.5
611.17590	3.4
638.40039	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	611.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16991	0.8
57.84853	0.7
57.90835	0.8
58.87125	0.9
59.01265	100.0
59.23363	0.9
60.01621	1.3
71.01274	11.8
71.59244	1.1
73.02834	4.8
78.95777	0.9
80.24115	0.9
83.01273	1.7
85.02844	6.6
89.02332	1.4
93.03371	4.0
96.95904	3.8
99.00751	1.3
101.02344	7.1
108.02047	2.4
109.02856	1.5
113.02351	5.2
116.92781	2.0
121.02893	1.2
133.02866	10.2
134.03688	5.7
135.04453	10.5
137.02403	6.2
139.03932	2.0
149.19130	0.9
152.01073	4.0
155.03419	1.5
158.03625	1.4
161.02399	18.4
161.04512	3.6
163.96971	0.9
165.01863	4.9
166.06203	1.1
166.97879	0.9
173.04568	5.1
177.01868	1.2
178.02628	1.3
179.03470	9.3
180.04167	3.7
187.07576	4.5
191.05592	17.3
193.05038	61.4
194.05368	2.5
194.83627	1.0
195.06639	6.1
213.43687	0.8
231.10326	2.5
256.64328	0.9
257.08292	1.7
275.09344	5.4
285.03873	1.1
296.68552	0.9
299.02097	2.7
331.17685	7.4
353.08704	9.1
373.18631	2.6
373.27972	1.0
449.14929	4.9
567.20386	1.7
611.19366	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	611.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51479	0.6
59.01263	100.0
70.32174	1.2
70.32558	1.7
71.01274	10.7
73.02840	5.0
83.01301	1.5
85.02846	5.9
87.00761	0.8
93.03367	2.6
95.01292	1.3
96.95928	3.1
98.00417	0.7
99.00797	2.3
101.02332	5.9
108.02066	0.8
111.04467	1.3
113.02345	3.8
116.92796	1.6
121.02911	1.1
133.02893	7.5
134.03674	5.3
135.04457	6.6
136.04811	1.1
137.02382	5.1
139.03935	2.1
139.05013	0.9
149.02409	1.6
152.01126	2.0
155.03439	1.1
159.02959	0.8
161.02386	15.2
161.04402	4.3
162.02747	1.1
165.01924	2.3
167.03357	0.7
173.04515	3.9
177.01863	1.3
178.02783	1.0
179.03482	4.9
180.04184	1.9
181.05055	0.7
187.07651	3.0
191.05576	13.3
193.05035	65.0
194.05457	3.1
195.06657	3.3
213.09161	0.8
215.07222	0.9
217.31212	0.7
231.10262	1.6
271.02713	1.8
275.09464	2.8
299.02121	2.1
327.76532	0.7
331.17715	8.6
332.18365	0.8
335.08313	0.7
353.08884	5.4
354.09238	1.2
373.18881	3.2
449.14957	3.5
567.21088	0.9
611.20154	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.7
57.03340	1.4
59.01265	7.1
61.98706	2.7
67.01766	0.7
69.03345	0.9
71.01269	6.3
71.60154	0.6
71.60577	0.8
72.99203	3.3
73.02831	4.0
74.02357	2.0
75.00768	2.2
83.01265	2.0
83.04891	1.5
85.02846	6.4
87.00775	2.6
87.25511	0.6
88.98709	1.5
89.02338	2.9
91.00280	0.7
93.03357	5.6
95.01296	1.7
96.95917	1.6
97.02850	0.8
99.00778	2.6
99.92493	5.7
100.09201	0.7
101.02343	3.2
108.02083	49.9
109.02906	9.6
111.00759	1.1
111.71127	0.6
113.02370	4.0
113.06009	1.1
114.93367	1.0
115.00323	0.7
115.03918	0.7
116.03448	1.4
116.92776	70.2
117.01857	5.6
117.02998	1.0
117.92816	4.8
119.04951	2.5
119.08620	1.0
121.02866	1.8
125.02354	1.5
131.03403	0.7
133.02827	1.0
134.03610	1.4
135.04437	4.2
137.02377	2.6
137.09657	14.1
145.02913	1.1
146.03174	0.6
147.04460	0.8
151.03934	0.9
152.01099	89.9
153.01869	5.6
153.09113	0.8
155.03458	1.4
159.04471	1.0
161.02397	1.8
161.04576	0.9
163.03951	6.3
165.01859	3.5
173.04541	4.5
173.05942	0.9
177.01913	1.9
179.03421	3.8
180.04193	2.4
181.08736	1.2
187.03990	1.1
187.07605	1.2
188.91290	0.6
191.05594	17.2
192.05919	1.0
193.04990	1.3
195.06618	6.8
202.06238	0.9
203.03459	1.7
207.02997	0.9
213.05679	0.6
215.07127	1.2
225.05765	0.8
229.01497	0.7
243.08743	0.9
255.02943	1.3
275.09381	0.9
284.03290	1.5
285.04120	2.2
297.06305	1.1
312.06387	0.6
315.07306	1.1
335.64792	0.7
347.18600	0.8
353.08823	2.8
375.12424	1.9
376.09027	0.7
419.11383	5.0
429.10489	22.7
430.10855	2.3
447.11435	7.3
448.11780	0.9
449.14575	2.7
489.10150	0.8
522.75989	1.2
523.26428	0.6
588.78491	3.0
589.28253	1.8
593.12982	1.0
610.77795	3.2
611.19891	100.0
612.20105	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	611.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.1
60.89951	0.2
61.98727	0.5
69.84792	1.2
69.85211	0.5
71.01274	1.0
73.02841	7.9
74.02374	0.8
75.00763	2.5
81.95582	0.2
85.02810	0.3
87.00761	0.4
89.02343	0.7
93.03392	0.3
94.49793	0.2
97.02852	0.5
98.20505	0.3
99.00784	2.4
99.92488	8.4
100.92525	0.6
101.02350	0.3
102.37537	0.2
113.02379	0.5
114.93355	0.2
115.03889	0.3
116.03471	1.1
116.92778	100.0
116.97172	2.7
117.01859	14.7
117.05482	0.9
117.92786	5.3
118.02166	0.3
121.02871	0.9
135.04465	0.4
135.28421	0.2
179.03432	0.3
191.05580	0.3
210.53194	0.2
213.14954	0.3
247.06360	0.2
313.18188	1.1
331.19214	0.5
371.20117	0.3
611.27948	0.6
611.38104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72390	0.6
57.03330	0.7
59.01270	5.3
61.60910	0.5
61.98715	2.7
65.97740	0.5
67.32359	0.5
69.60439	3.8
71.01286	4.5
72.99203	15.1
73.02855	1.4
75.00771	0.9
78.95805	1.4
80.37360	0.4
85.02856	2.2
87.00758	1.0
89.02340	1.0
93.03355	2.6
96.95904	1.3
96.96875	1.5
98.19727	0.5
99.00759	1.0
101.02377	1.5
108.02151	0.6
109.06475	2.5
112.11887	0.5
113.02374	3.6
117.03392	1.4
119.04950	100.0
120.05257	3.7
121.02890	0.8
127.07580	37.6
128.07921	1.4
135.04469	1.3
137.02446	0.7
145.02844	3.6
145.06537	0.5
152.01099	0.7
159.04448	0.6
160.33009	0.5
161.06050	0.6
162.03120	1.2
163.03963	60.2
164.04329	2.6
171.06581	12.1
173.04520	1.9
179.03453	1.0
187.07591	0.6
191.05598	5.1
203.03412	0.5
205.05035	0.7
233.09486	2.4
277.07278	1.1
295.94489	0.6
325.09390	0.9
405.36160	0.6
439.12592	8.1
457.13641	21.2
458.13959	1.7
567.20258	1.1
593.19019	0.8
611.19928	67.8
612.20251	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	611.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25541	2.6
56.30834	2.7
59.01270	94.0
61.98708	4.1
67.01775	6.4
69.03337	7.1
69.49340	5.9
69.49747	20.3
71.01270	22.8
72.99197	4.4
73.02843	4.3
81.03336	6.2
83.01281	4.9
85.02841	22.3
87.00785	30.0
89.02329	6.8
91.01807	6.3
93.03352	40.7
95.01283	6.9
95.04932	21.3
96.95901	8.8
96.99170	3.5
97.02838	10.9
98.00008	3.3
98.95520	3.5
99.00758	6.5
101.02348	7.8
108.02075	9.1
108.40753	3.1
109.02872	8.5
111.00757	14.2
111.04440	14.9
113.02340	8.4
115.00258	4.1
117.03354	5.6
119.04972	14.7
121.02869	4.7
123.04436	12.4
124.01501	3.8
129.01846	6.8
133.02834	11.9
134.03677	56.3
135.04466	39.9
137.02347	11.7
139.00262	3.5
139.03960	24.3
145.02927	14.7
146.03624	4.7
147.04465	31.5
149.05988	18.0
153.01852	3.4
155.03386	5.5
158.03696	3.4
159.04402	9.5
160.01588	11.3
161.02365	12.8
162.03104	3.3
163.04053	18.6
163.05193	3.9
171.04459	3.2
173.04529	41.4
175.03979	15.0
178.02626	9.5
179.03467	23.7
183.02908	8.5
185.77428	3.1
187.03963	11.3
187.07480	3.7
191.05591	100.0
192.05881	6.6
193.05023	30.8
201.04033	20.5
210.06870	76.1
211.07101	7.3
215.07126	3.9
219.05113	10.6
225.09201	74.0
226.09483	5.6
235.07693	27.5
236.08446	26.9
237.09082	11.9
238.09943	12.5
243.05096	22.9
251.10786	4.2
263.07147	12.8
264.07974	28.1
275.09293	13.3
277.05170	4.4
279.03214	4.2
279.10400	16.8
280.03857	7.2
281.02963	21.0
293.04514	6.6
295.06158	6.0
296.06818	4.6
297.11475	14.8
321.04108	9.0
321.11420	29.5
322.04987	9.0
323.09357	25.5
324.09344	4.0
338.67365	3.6
341.10422	34.3
347.18881	4.9
353.08762	10.8
365.10651	3.7
419.11569	17.0
449.14761	27.7
507.12964	35.3
508.13623	6.3
514.11304	9.6
525.14197	19.0
527.83691	3.1
567.15259	38.0
568.15405	9.5
611.17834	12.8
611.31976	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4157
Annotation	Manadomanzamine B
Peak:m/z	Relative Intensity
59.01263	3.7
61.98705	1.1
63.09994	0.5
71.01273	1.6
71.50996	1.1
80.30252	0.5
83.04937	0.6
85.02863	0.9
87.00774	0.8
93.03352	2.2
95.04926	2.5
95.93690	0.7
101.02318	0.8
109.06544	0.8
121.09280	0.9
121.10155	18.7
125.09608	1.3
127.11230	0.7
130.36574	0.7
133.02901	0.8
141.12746	0.8
152.99487	0.7
171.10239	54.5
172.10551	2.6
173.04539	1.8
177.16399	1.2
183.13881	1.4
185.11877	1.0
191.05588	3.8
207.10016	2.5
209.07976	0.7
211.13380	1.1
229.19638	0.8
231.21216	4.6
246.12419	0.8
275.20236	62.0
276.20523	4.4
277.21829	2.2
278.11380	7.7
279.11664	0.8
283.13431	0.8
293.21323	68.3
294.21683	5.5
297.18445	1.3
300.02820	1.1
307.65057	0.6
315.19485	32.3
316.19852	3.0
327.16177	0.9
329.17462	1.7
357.17630	0.6
359.18457	8.2
360.19086	0.7
487.29385	1.1
549.16998	1.2
609.41528	100.0
610.28375	5.7
610.41785	19.0
610.49451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01031	3.1
59.01268	31.0
69.03333	8.4
69.53210	7.4
69.53622	20.6
76.40400	3.2
76.54731	3.2
83.01247	3.6
85.02853	4.5
87.00778	49.7
95.04927	3.7
96.95900	5.8
97.02847	4.4
98.19788	7.7
109.02861	3.8
111.00773	5.5
112.83715	3.5
117.03352	7.2
132.02087	19.9
133.02837	4.2
134.03668	64.0
137.02335	5.9
141.06625	3.3
143.55655	3.3
147.04471	36.5
147.33594	3.2
149.06047	11.0
158.03676	81.8
159.04312	5.6
160.01604	76.9
161.02274	4.7
173.06039	79.4
175.03966	100.0
176.04472	7.1
178.02698	6.5
191.07098	11.2
191.78531	3.6
193.05043	53.0
201.02022	9.2
201.04034	43.0
202.02689	9.3
217.05083	53.1
261.28674	3.5
349.09323	35.9
406.49356	4.2
417.03696	4.2
419.10327	17.1
507.12881	5.4
525.14008	5.9
567.14783	17.7
568.15515	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	609.343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.0
62.96300	0.3
64.58923	0.2
71.01251	0.3
71.57986	0.3
75.00756	0.3
78.95792	69.4
81.03366	0.2
85.02850	0.6
87.00800	0.2
93.03343	1.1
96.95876	1.5
96.96862	55.1
101.02337	0.2
119.04948	0.7
121.02859	0.3
135.04408	0.2
145.02843	0.2
154.43938	0.2
157.13307	0.2
163.04027	0.5
173.04535	0.8
191.05574	3.3
211.07626	0.3
233.09496	100.0
234.09818	5.8
242.51953	0.2
290.67853	0.2
300.02634	0.3
304.89694	0.2
335.25180	0.2
374.14188	0.2
376.22562	0.5
609.16107	0.6
609.26996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	1.6
57.03329	2.8
59.01268	40.3
61.98721	12.6
69.03356	1.6
70.44040	3.0
70.44436	3.0
71.01275	42.6
72.99205	4.6
73.02837	10.4
75.00757	5.3
78.95800	22.7
81.03366	2.0
83.01265	6.9
83.04916	1.7
85.02847	18.4
87.00757	7.8
88.98692	3.2
89.02342	22.8
93.03360	17.8
94.03715	1.3
95.01343	1.9
96.95921	15.0
96.96848	8.1
97.02885	2.5
99.00786	8.8
101.02341	21.5
108.02092	2.5
109.02891	2.6
111.00783	2.7
111.04448	4.2
113.02365	14.5
117.03384	2.5
119.03473	2.7
119.04964	15.5
120.00665	1.3
120.05318	1.4
121.02863	2.9
125.02369	3.6
127.04012	2.0
131.03424	4.7
133.02896	2.6
134.03693	8.4
135.04393	5.2
137.02373	7.0
145.02893	6.9
149.04503	3.8
149.06055	1.8
151.00244	2.3
151.03973	1.9
152.01041	2.0
154.97026	1.3
155.03441	2.1
160.01617	2.3
160.65865	1.4
161.02345	3.3
161.04520	3.7
163.03978	12.4
164.04370	1.4
173.04539	15.1
175.03925	2.5
177.01959	2.6
178.99811	1.7
179.03423	4.2
181.05054	1.9
187.07669	2.3
188.43237	1.5
191.05588	40.2
192.05905	3.5
193.04933	6.4
194.05473	2.3
199.04031	1.5
209.08113	1.6
211.07726	1.9
233.09508	5.2
255.03081	3.9
255.06815	1.5
271.02591	4.5
284.02969	1.4
285.03912	1.7
289.17926	1.4
300.02658	8.4
301.03448	2.8
305.08737	1.4
309.07962	1.4
327.08798	3.0
373.10953	1.6
397.13962	1.5
417.24820	5.6
435.11069	1.6
457.13431	3.1
462.44034	1.4
463.18292	3.9
507.28299	11.1
508.28775	1.8
549.29285	100.0
550.29620	15.2
609.15503	13.3
609.25262	4.0
610.19666	3.3
610.28864	1.6
620.95221	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	609.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25540	0.1
58.00478	0.2
59.01264	5.5
64.16129	0.1
71.01271	4.3
71.15356	0.2
72.99198	0.2
73.02840	1.5
75.33235	0.1
77.03838	0.2
83.01259	0.2
85.02850	0.9
85.75314	0.1
87.00755	0.3
88.30411	0.1
89.02335	5.5
89.03844	0.2
91.05438	0.1
93.03370	0.1
95.07455	0.1
97.02831	0.2
99.00777	2.9
101.02344	2.0
104.02578	0.1
105.03362	0.4
107.04939	0.5
113.02356	0.8
115.01807	0.2
117.03386	1.5
119.03445	0.4
123.04404	0.5
125.02398	0.3
131.03410	0.5
132.02116	1.7
133.02878	33.8
134.03595	1.4
135.04446	17.2
136.04771	0.8
137.02377	0.3
139.03944	0.2
149.04529	0.8
161.02386	100.0
162.01361	0.2
162.02730	4.6
179.03455	8.4
180.03790	0.4
191.05556	0.7
232.31248	0.1
259.69876	0.1
291.84198	0.1
382.02399	0.1
447.22595	0.9
609.25629	46.4
610.25989	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	609.2699
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
57.03339	3.8
57.75032	0.3
58.31899	0.3
59.01260	3.3
61.98706	1.7
62.96286	0.4
69.62379	2.4
71.01272	0.9
78.95794	52.1
79.95630	2.4
80.96426	2.0
83.04883	0.5
85.02840	0.5
86.01342	0.3
89.02370	0.3
93.03358	0.8
96.95925	0.8
96.96862	9.8
97.06487	0.9
98.20643	0.4
101.02341	0.6
109.06485	0.8
113.09636	16.3
114.09961	0.9
116.97182	1.2
117.03391	0.3
133.02893	0.9
135.04483	0.8
139.11249	1.8
141.09132	0.4
149.09654	0.7
150.97928	0.8
151.03998	0.3
152.99527	65.8
153.99857	1.2
161.02406	2.1
161.27420	0.3
164.98514	0.5
165.12784	0.4
167.10760	2.8
171.00589	2.2
171.10228	0.6
177.12770	0.8
179.03481	0.8
179.10754	2.1
191.05597	2.2
195.13873	2.7
195.17613	0.5
222.98068	0.6
223.00136	7.2
225.00851	0.9
241.01215	21.1
242.01515	0.5
249.22316	2.1
255.03065	0.6
259.02356	1.3
271.02585	1.1
275.20047	1.0
293.21295	56.0
294.21603	5.7
300.02826	1.4
301.03464	0.6
315.04965	11.3
319.23083	0.4
333.06030	1.2
447.23895	0.6
483.15408	0.4
523.18341	2.8
524.18353	0.4
609.26898	100.0
610.27252	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	609.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.3
59.01263	4.5
71.01266	4.1
71.11890	0.7
73.02827	1.4
80.96410	1.3
83.01280	0.3
85.02845	1.4
89.02350	2.8
89.03848	0.4
91.05429	0.5
94.97947	0.3
95.01273	0.5
99.00757	1.3
101.02353	1.7
103.62170	0.3
105.03344	0.3
107.04935	1.9
113.02377	2.4
117.03354	1.4
119.03394	0.7
132.02097	0.9
133.02882	19.3
134.03697	7.2
135.04448	100.0
136.04774	4.3
153.01840	0.3
161.02385	52.5
162.02715	3.2
179.03461	61.5
180.03778	2.9
183.58240	0.2
191.05641	0.3
192.17429	0.2
192.48181	0.2
196.87918	0.3
225.00737	0.4
335.14209	0.3
397.20276	0.3
439.32535	0.6
463.22906	0.6
609.25623	68.1
610.25964	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	609.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
61.98707	0.4
64.42952	0.1
66.50143	0.1
71.01264	0.2
74.42307	0.1
78.95793	3.5
79.95626	2.4
83.15366	0.1
85.02813	0.2
89.46526	0.1
93.03359	0.2
96.95915	100.0
96.96811	6.4
97.95831	0.2
98.02387	1.5
98.19738	0.2
99.58705	0.1
101.02332	0.1
104.87723	0.1
113.02384	0.2
151.00287	0.3
161.02414	0.1
163.03966	0.3
173.04631	0.2
191.05617	0.6
191.07141	0.2
210.88486	0.1
225.88873	0.1
229.81041	0.2
255.03127	0.3
271.02451	0.8
300.02841	1.9
301.03537	0.8
308.10220	0.2
370.20386	0.6
388.21445	0.3
463.09177	0.8
463.22571	0.2
511.25601	0.2
609.12500	1.2
609.28680	0.1
610.12854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00474	0.2
59.01265	6.3
60.37385	0.1
60.52315	0.2
68.21927	0.2
71.01267	5.0
71.14996	0.3
71.15321	0.3
72.99191	0.2
73.02837	1.6
73.29691	0.2
80.96404	0.4
83.01275	0.2
85.02846	1.3
87.00782	0.2
89.02338	4.3
89.03857	0.4
91.05415	0.2
95.01269	0.2
95.04863	0.2
99.00780	1.5
101.02345	2.3
104.02555	0.2
105.03356	0.7
107.04929	0.7
113.02365	1.6
115.01785	0.2
115.03953	0.2
117.03371	1.5
119.03419	0.9
123.04424	0.4
125.02340	0.4
131.03421	0.5
132.02087	1.8
133.02881	33.5
134.03737	2.6
135.04448	29.8
136.04776	1.4
137.02399	0.2
137.44505	0.2
143.03470	0.2
146.44579	0.2
149.04491	0.4
157.06650	0.2
161.02388	100.0
161.48819	0.2
162.02718	4.7
179.03459	15.0
180.03775	0.9
190.73956	0.2
191.05647	0.2
225.00774	0.2
241.02316	0.2
308.49228	0.2
331.39191	0.2
439.32114	0.3
447.22537	1.3
448.22400	0.2
543.78497	0.2
579.06561	0.2
609.25623	50.9
610.25989	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	609.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12933	0.1
56.45052	0.1
57.03332	0.1
59.01265	1.1
61.98716	0.2
69.36015	0.1
71.01260	0.8
71.58527	0.1
72.99200	0.1
73.02824	0.1
78.95791	2.8
79.95623	2.5
80.09143	0.1
80.96423	0.1
83.01248	0.2
85.02837	0.6
85.03283	0.1
87.00748	0.2
89.02348	0.3
92.32706	0.1
93.03352	0.4
95.01278	0.1
96.95912	100.0
96.96799	5.1
97.02814	0.1
97.95840	0.2
98.02386	0.2
99.00794	0.2
101.02343	0.3
102.02760	0.1
111.00806	0.1
111.04490	0.1
112.61719	0.1
113.02348	0.3
117.03299	0.1
119.04946	0.3
125.02408	0.1
129.01881	0.1
131.03410	0.1
133.02853	0.4
134.03598	0.1
135.04443	0.5
137.02374	0.2
143.03406	0.1
145.02884	0.2
151.00348	0.2
151.07539	0.1
152.99535	0.1
160.01595	0.1
161.02399	0.8
163.03918	0.2
173.04552	0.3
175.04051	0.1
179.03474	0.3
183.29558	0.1
185.19269	0.1
191.05583	1.5
191.07312	0.1
192.06082	0.1
193.05106	0.1
195.06625	0.4
242.45172	0.1
253.08868	0.1
255.03145	0.1
271.02509	0.5
299.02017	0.1
300.02744	0.8
301.03574	0.5
331.18436	0.1
345.30341	0.1
353.08954	0.1
397.20676	0.2
397.70798	0.1
462.21851	0.2
462.72202	0.3
463.22519	0.4
463.73337	0.1
479.26404	0.2
487.34625	0.2
505.33942	0.2
577.25848	0.1
600.63727	0.1
609.14502	0.8
609.26636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26309	0.1
56.63823	0.1
59.01270	0.8
71.01266	0.4
71.11563	0.2
71.11903	0.2
72.85477	0.1
78.95792	1.8
79.95627	2.3
80.96405	0.2
85.02834	0.2
96.95913	100.0
96.96792	3.7
97.95848	0.4
98.02418	0.1
98.27119	0.1
101.02345	0.2
111.00811	0.2
112.14674	0.1
119.04904	0.2
122.76827	0.1
133.02866	0.4
135.04445	0.4
145.02888	0.4
151.00301	0.1
152.93668	0.1
161.02393	0.9
163.03928	0.4
167.03552	0.1
173.04655	0.1
179.03482	0.3
191.05585	0.6
229.01506	0.1
243.02957	0.2
244.03499	0.1
255.02986	0.3
259.83719	0.1
271.02567	0.9
272.03223	0.1
275.43716	0.1
278.65347	0.1
299.02045	0.4
300.02719	1.3
301.03403	0.4
447.24097	0.3
455.22867	0.4
455.72891	0.2
609.13959	0.8
609.25433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03597	0.2
59.01257	0.6
64.30526	0.2
69.71603	0.4
69.72018	0.8
70.33743	0.2
71.01262	0.6
78.95795	45.7
79.90955	0.2
82.16389	0.2
85.02842	0.8
87.00768	0.2
89.02395	0.3
93.03355	0.4
93.42429	0.2
96.96864	23.2
105.01839	0.6
111.04414	0.3
113.02338	0.7
117.01870	0.4
119.04957	0.4
131.03381	0.3
163.06149	0.3
173.04402	0.3
189.95265	0.2
191.05583	3.2
224.40691	0.2
243.71060	0.2
267.10074	100.0
268.10403	5.1
609.17657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.3
62.04991	0.1
70.98769	0.1
71.01286	0.1
78.72384	0.1
78.95796	2.7
79.95163	0.2
79.95621	2.2
85.02834	0.1
94.97989	0.1
96.95915	100.0
96.96799	4.7
97.95866	0.3
98.02388	0.4
98.19765	0.3
101.02354	0.1
111.00744	0.1
113.02377	0.1
118.88396	0.1
145.02888	0.2
185.22417	0.1
191.05614	0.3
221.41429	0.1
271.02560	0.2
300.02740	0.3
302.38211	0.1
447.23807	0.1
455.23102	0.2
609.14069	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	609.1476
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
50.00208	0.4
51.86284	0.4
53.62875	0.5
59.01267	3.1
63.02286	0.5
65.00203	1.4
69.36048	4.3
71.01260	1.8
73.02805	0.5
75.16149	0.5
78.95802	0.5
83.01273	1.4
85.02850	1.1
85.48534	0.4
89.02347	1.0
93.03339	1.3
96.95910	5.1
97.02869	1.0
98.19769	0.5
98.95480	0.9
101.02322	1.3
105.70367	0.5
106.21285	0.4
107.01321	3.0
108.02064	2.2
109.02836	1.4
113.02306	1.0
115.03883	1.6
116.75571	0.4
121.02834	2.4
125.02377	1.1
135.00822	1.0
135.04445	1.7
137.02347	0.5
145.02847	1.3
148.01582	1.0
149.02452	0.5
151.00311	12.1
152.01028	1.3
160.01492	0.6
161.02406	2.7
163.00308	2.7
163.03941	0.7
164.01050	1.3
165.01894	0.5
169.01360	0.6
170.27452	0.5
173.04526	0.6
175.04030	0.5
177.01796	0.5
178.99850	5.4
179.03433	1.6
180.00270	0.5
183.04482	0.9
187.03911	0.7
187.36247	0.4
191.05614	2.3
199.03923	1.3
211.03938	0.9
215.03481	0.9
216.04164	0.7
222.04865	0.4
226.02704	1.9
227.03488	3.3
229.04982	0.8
243.03038	9.9
244.03636	0.8
245.04657	1.0
254.02238	2.4
255.03027	29.4
256.03348	2.6
271.02539	59.4
272.03030	5.9
273.04089	1.4
283.02594	1.3
285.04022	0.7
299.02054	2.5
300.02811	94.0
301.03516	42.8
302.03955	3.0
463.08929	17.4
464.09286	2.4
549.29089	0.7
609.14502	100.0
610.14746	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	609.1479
Annotation	Isorhamnetin 3-vicianoside
Peak:m/z	Relative Intensity
59.01266	3.9
61.98705	1.3
65.00211	0.9
67.06165	0.7
69.31266	2.4
69.31676	5.4
71.01274	2.0
73.02832	1.5
78.95789	1.2
85.02841	1.3
87.00771	0.9
89.02346	1.0
92.50659	0.7
93.03362	2.8
96.95905	2.1
101.02351	1.5
107.01313	1.1
108.02092	2.0
109.02927	1.3
111.04367	0.9
113.02322	1.4
115.00282	0.7
119.04957	1.3
121.02877	1.0
134.03680	1.0
135.04333	0.8
137.02342	0.8
145.02933	1.6
151.00351	4.7
152.01077	2.1
153.01836	1.0
155.05054	0.8
163.00331	1.7
165.99025	0.8
173.04544	1.6
179.03481	1.0
183.04506	1.6
187.04037	1.4
191.05611	4.9
199.04036	4.7
205.13878	0.8
211.04189	1.2
215.03482	1.8
226.02759	1.1
227.03542	6.5
242.02185	2.9
243.03035	23.6
244.03757	4.0
254.02257	2.1
254.74165	0.8
255.03035	21.8
256.03519	2.4
257.04523	2.4
270.01877	1.7
271.02567	46.5
272.03107	7.9
273.03967	0.9
283.02496	1.5
285.04172	3.7
286.04739	1.3
287.05667	1.3
299.02066	34.6
300.02811	48.3
301.03448	6.9
314.04410	23.4
315.05185	89.3
316.05582	7.7
429.81729	0.8
609.14758	100.0
610.14984	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	609.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40603	0.2
59.01250	0.5
63.02277	0.7
65.00216	1.1
69.53372	0.9
69.53792	0.8
69.65237	0.2
71.01273	0.6
81.03352	0.2
83.01277	1.1
85.02840	0.5
87.00767	0.5
91.01789	0.2
93.03347	1.8
100.11806	0.2
102.25697	0.2
106.33012	0.2
106.86230	0.2
107.01305	2.6
108.02112	1.6
109.02854	1.2
119.04932	0.7
120.91183	0.2
121.02888	1.7
129.59120	0.2
134.03625	0.3
135.00775	1.0
137.02377	0.4
140.23860	0.2
143.04968	0.3
145.02856	0.4
148.01595	1.0
149.06012	0.2
151.00311	10.4
152.00632	0.3
153.01936	0.4
163.00333	2.0
163.03960	0.6
164.01073	0.7
165.01808	0.2
169.01369	0.8
171.66161	0.2
173.04539	1.1
178.99832	5.7
183.04335	0.3
187.04025	0.5
190.99823	0.6
191.05600	4.3
192.00638	0.3
193.01189	0.3
199.03976	0.9
203.03380	0.3
211.03955	1.1
215.03499	0.5
216.04333	0.4
226.02748	1.5
226.88023	0.2
227.03514	3.1
229.05090	0.7
239.03497	0.4
243.03023	9.7
244.03494	1.0
245.04572	1.2
254.02266	2.1
255.03024	22.8
256.03430	2.1
257.04605	0.3
261.78345	0.3
266.02243	0.2
270.01660	0.3
271.02539	50.6
272.02948	5.1
273.04111	1.0
283.02594	1.3
285.04181	0.5
299.02020	2.2
300.02814	77.9
301.03528	33.0
302.04022	2.7
313.03592	0.5
315.05112	0.6
343.04727	0.4
370.31158	0.2
477.10727	1.2
609.14734	100.0
610.15051	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	609.148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.3
59.01268	3.2
68.66697	0.3
69.03342	0.6
71.00560	0.3
71.01271	7.0
71.58926	0.5
72.99186	0.6
73.02829	2.2
81.03329	0.5
83.01300	0.6
85.02843	4.4
89.02336	1.5
93.03360	0.8
95.01273	1.5
96.95936	0.6
97.02847	0.6
99.00784	2.8
101.02351	3.5
107.04965	0.3
108.02083	46.8
109.02892	13.4
110.03210	0.4
113.02354	3.2
121.02911	0.8
123.00814	1.2
123.04460	0.9
125.02392	0.6
131.03357	0.3
132.02133	0.3
133.02892	5.6
134.03709	2.2
135.04457	21.4
136.04782	0.9
143.03461	0.3
145.02943	0.3
151.00380	0.3
151.03949	3.0
152.01097	100.0
153.01839	5.9
154.02174	0.3
156.72687	0.3
159.02975	0.7
159.04301	0.3
161.02403	11.6
161.04422	3.0
162.02756	0.5
163.03958	6.1
165.05560	0.3
177.01921	1.5
179.03464	8.7
180.03859	0.7
191.03891	0.5
191.05606	3.8
192.05902	0.4
207.02985	1.1
219.03084	0.3
225.11496	0.4
253.59436	0.3
271.08301	1.9
297.06143	0.4
315.07217	3.1
339.05215	0.4
429.10474	1.8
447.11526	57.9
448.11789	6.2
458.29535	0.3
528.12286	0.4
565.15894	0.8
609.14734	80.4
610.15039	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	609.1263
Annotation	56343-26-1
Peak:m/z	Relative Intensity
59.01267	2.4
61.98717	0.7
65.00201	1.4
65.51323	0.3
69.33056	3.6
71.01267	2.2
73.02825	0.6
78.95792	2.3
79.95632	2.4
81.44327	0.4
83.01287	1.3
85.02852	1.3
87.00733	0.4
89.02328	1.4
91.67413	0.3
93.03360	0.5
96.95912	100.0
96.96796	4.2
97.95890	0.4
98.02347	0.4
98.19754	0.8
101.02356	1.9
107.01300	2.1
108.02088	0.9
109.02858	0.8
113.02361	0.6
119.04963	0.5
121.02872	1.4
125.02354	0.4
131.03381	0.4
133.02919	0.6
135.00818	0.6
135.04445	1.5
145.02869	1.7
148.01639	0.8
151.00317	7.0
161.02419	2.4
163.00288	1.6
163.03993	0.7
163.35442	0.4
169.01295	0.6
177.83130	0.4
178.99843	3.5
179.03430	0.7
190.99858	0.7
191.05598	1.7
192.00534	0.5
199.03961	0.5
216.04202	0.5
226.02744	1.0
227.03496	2.1
243.03041	6.5
244.03247	0.5
245.04549	0.5
254.02202	1.2
255.00264	0.6
255.03014	16.1
256.03415	1.7
271.02533	29.4
272.03021	3.8
273.04108	0.5
283.02551	0.8
284.03223	0.8
285.04111	1.6
297.03888	0.4
299.02002	1.5
300.02808	60.6
301.03516	28.5
301.08649	0.6
302.03931	2.1
353.08997	0.4
355.72165	0.4
383.46396	0.4
417.24930	2.2
463.08908	31.5
464.09323	3.5
549.29297	4.0
609.12640	45.2
610.12952	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	607.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.2
58.13258	0.2
58.44517	0.2
59.01271	0.8
62.96291	0.2
64.60558	0.2
69.81967	0.9
69.82380	0.4
71.01269	0.8
72.99204	1.6
73.02793	0.2
78.95795	64.3
81.37154	0.2
83.14738	0.2
85.02839	0.4
87.00771	0.3
89.02337	0.2
91.01794	0.4
93.03363	0.6
96.96865	51.9
101.02297	0.2
108.02086	0.5
109.02863	0.3
113.02362	0.4
119.04944	6.0
120.05280	0.4
123.04446	1.1
125.02326	0.2
134.03610	0.2
135.04468	0.2
137.02315	0.2
144.73677	0.2
145.02885	0.4
149.04498	0.2
152.01091	0.8
153.01884	0.6
160.01608	0.3
163.03966	4.6
164.04283	0.2
164.35098	0.2
167.03439	2.1
168.04005	0.2
173.04478	0.5
175.03966	0.4
177.01973	0.2
177.05469	0.2
191.05611	1.3
193.05057	0.4
233.09502	100.0
234.09833	5.7
234.12206	0.2
276.56464	0.2
299.09341	0.2
300.47275	0.2
310.32129	0.2
311.09204	0.4
314.11755	0.5
326.11331	0.3
329.13989	1.4
330.14346	0.3
341.13986	0.7
439.12509	1.3
457.13742	0.5
547.27563	0.2
607.16968	1.7
608.17340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.3
57.03316	0.3
59.01262	4.2
69.03366	0.3
69.27965	1.5
70.16191	0.3
71.01274	4.9
72.99207	0.4
73.02836	2.2
78.95794	0.5
83.01285	0.8
85.02843	2.8
87.00753	0.5
89.02335	2.3
92.05737	0.2
93.03352	0.3
97.02824	0.3
98.19769	0.3
99.00788	1.8
101.02351	3.6
102.26736	0.2
105.03374	0.5
107.04953	0.4
113.02376	1.4
115.01875	0.3
117.03377	1.6
119.03403	0.2
123.04463	0.4
125.02315	0.3
131.03412	0.4
132.02084	1.6
133.02881	32.9
134.03601	1.2
135.04449	14.0
135.11725	0.9
136.04813	0.6
136.87610	0.3
137.02394	0.4
139.03874	0.2
143.03500	0.2
144.81174	0.2
149.04510	0.4
152.99590	0.3
161.02390	100.0
162.02730	4.8
163.03896	0.3
178.06305	0.2
179.03465	6.9
179.09131	0.3
179.10727	6.6
179.12204	0.4
180.03780	0.5
180.10991	0.4
191.05592	0.8
199.09006	0.2
223.09802	1.6
313.16531	0.5
383.13718	0.4
401.14688	0.8
445.20761	1.0
607.24097	60.4
608.24420	11.8
608.34430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2578
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.80682	2.1
54.86222	1.6
55.71046	1.5
69.40802	12.8
78.95788	5.2
98.20532	2.8
122.00768	1.5
151.95122	1.5
152.99565	3.4
154.30141	1.4
156.42195	1.4
177.39325	1.5
213.00092	1.8
213.23274	1.5
255.23320	4.7
267.93997	1.6
303.23141	2.4
336.33405	1.6
401.63998	1.6
404.71814	1.5
415.19971	1.7
430.21582	4.5
431.22470	13.5
432.23309	2.4
443.22574	2.1
444.23141	2.2
445.24173	9.3
446.24677	2.8
447.25424	6.6
456.19348	2.0
459.18243	2.6
459.26331	8.2
460.23050	23.4
461.23203	3.3
471.22202	12.2
472.22726	39.8
473.22906	7.3
474.20291	12.4
475.20880	10.4
475.25388	14.3
476.21579	2.6
487.25131	100.0
488.25504	20.3
490.23618	1.7
502.20105	22.8
503.20496	4.9
504.25323	4.6
505.26251	2.3
513.23035	9.9
514.23639	2.6
517.72327	1.7
519.27789	12.2
520.28802	3.0
530.23083	2.1
531.24164	88.6
532.24609	18.9
534.22809	6.2
545.25793	6.6
547.23669	4.1
548.24207	14.2
549.25653	2.9
563.26862	22.6
564.26581	5.8
575.23071	2.0
607.25775	21.3
608.25970	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	607.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.2
61.98713	0.1
69.03339	0.1
69.57458	0.9
71.01266	0.7
72.99213	0.2
78.95796	2.2
79.95166	0.2
79.95625	2.3
85.02844	0.4
87.00784	0.2
88.49428	0.1
89.02329	0.3
93.03362	0.5
95.06384	0.1
96.95915	100.0
96.96798	3.9
97.95854	0.3
98.02383	0.2
101.02341	0.4
105.03383	0.1
113.02374	0.4
117.03396	0.1
119.04941	0.1
119.33531	0.1
121.02867	0.4
128.07117	0.2
133.02861	0.3
134.03671	0.4
135.04416	0.3
137.02353	1.3
138.01891	0.2
145.02826	0.3
160.01607	0.3
161.02431	0.4
161.04420	0.2
163.03981	0.3
171.10260	0.3
173.04468	0.3
175.03928	0.4
179.03418	0.2
191.05592	1.0
193.05060	0.4
195.06680	0.3
245.00964	0.1
266.05826	0.1
270.01895	0.2
271.02512	0.5
299.01993	0.9
300.02625	0.1
329.17657	0.3
385.12958	0.3
463.25616	0.4
489.16232	0.2
503.32385	1.1
505.26593	0.2
521.33728	0.2
547.21399	0.2
563.17725	0.2
607.12738	0.2
607.29254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.2
57.03345	0.2
59.01267	2.2
65.28210	0.2
69.84186	1.2
70.16200	0.2
71.01270	5.3
72.99197	0.2
73.02837	1.7
74.03134	0.2
78.95806	0.4
83.01292	0.4
85.02846	2.5
89.02338	2.4
89.03864	0.2
93.03360	2.1
95.01286	0.4
97.02858	0.3
99.00781	1.7
101.02346	3.0
103.55162	0.2
105.03384	0.4
107.04974	0.2
113.02350	1.6
114.97099	0.2
117.03400	1.1
123.04514	0.4
125.02375	0.5
127.05033	0.2
131.03401	0.4
132.02106	1.5
133.02884	28.3
134.03279	0.9
134.03581	0.9
135.04454	12.5
136.04810	0.5
137.02370	3.7
138.02782	0.2
148.05193	0.3
149.04504	0.4
159.02846	0.3
161.02390	100.0
162.02731	5.2
171.04047	0.4
179.03467	6.4
180.03812	0.3
191.05551	0.5
212.60353	0.2
313.16653	0.6
346.87970	0.2
445.20920	0.8
607.24097	62.5
608.24445	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	607.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75723	1.7
59.01265	48.8
69.03344	1.5
70.09297	8.1
70.09653	2.8
71.01270	27.1
73.02840	23.9
78.95795	72.4
83.01277	6.6
85.02827	3.7
88.58647	1.5
89.02351	9.4
93.03342	2.3
95.01242	1.8
96.95927	22.2
96.96857	50.3
99.00827	2.1
101.02345	27.7
113.02362	11.3
119.03419	2.7
121.28072	1.9
123.04462	2.0
133.02905	2.6
134.03732	3.0
135.04430	4.0
143.03442	2.5
145.02861	3.0
149.04466	3.8
151.03979	2.0
159.04524	2.4
160.05280	3.2
161.02385	4.6
161.04468	6.3
171.08501	1.7
175.36995	1.8
179.03401	4.1
189.05644	4.0
190.06287	5.2
191.05580	7.9
193.05052	4.0
205.08696	5.9
233.09492	100.0
234.09850	4.7
255.22092	1.8
267.06717	2.0
296.10547	3.7
311.12772	2.1
341.10248	3.1
341.13925	23.1
350.02087	1.9
503.19345	10.3
547.27570	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	607.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	0.2
61.98715	0.1
70.33980	0.2
70.34304	0.2
71.01275	0.1
77.26750	0.1
78.09053	0.1
78.95795	4.3
79.95628	2.1
84.49604	0.1
96.95917	100.0
96.96813	7.1
97.95856	0.4
98.02383	1.7
98.20216	0.2
110.61946	0.1
111.04515	0.1
117.47014	0.1
121.44587	0.1
123.08102	0.1
130.16031	0.1
134.03639	0.1
145.02812	0.1
161.02379	0.1
175.03999	0.1
178.29491	0.1
180.06038	0.1
191.05565	0.3
193.05040	0.1
241.01459	0.1
259.02158	0.1
270.01752	0.2
271.02557	0.3
299.02103	0.3
347.18848	0.2
368.18661	0.2
386.19873	0.3
606.44641	0.1
606.54645	0.1
607.12091	0.2
607.23193	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	607.205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80939	0.3
57.03368	0.3
59.01268	7.3
61.98717	1.1
68.91108	0.4
69.03349	0.5
69.36931	1.2
69.37353	1.7
71.01282	6.1
72.99213	1.0
73.02851	2.1
75.00761	0.7
78.95800	2.8
85.02837	2.7
87.00774	0.8
88.98697	0.5
89.02345	3.6
89.03857	1.7
93.03371	1.8
95.01311	0.8
96.95908	2.1
96.96839	1.8
97.02887	0.5
99.00792	3.4
99.04469	0.5
101.02350	2.8
104.06796	0.4
109.02872	0.6
111.04407	0.6
113.02356	3.0
114.39658	0.4
117.03372	5.7
118.03753	0.4
119.03436	1.1
119.04949	2.9
125.02394	0.7
131.03430	0.6
132.02115	1.9
133.02873	0.4
134.03670	72.8
135.03943	2.9
136.01672	0.3
136.03987	0.5
137.02409	1.7
137.06108	0.5
139.03917	0.4
145.02890	1.0
149.04524	1.7
149.06023	7.3
151.03941	0.6
155.03444	0.8
160.01622	11.4
161.02295	1.0
161.04546	0.7
163.03940	1.2
164.04648	0.4
173.04573	1.9
173.05815	0.4
175.03973	22.6
176.04326	1.2
176.61984	0.4
178.02724	3.6
179.03430	0.6
179.05553	0.5
191.05588	6.2
191.07155	0.6
192.05937	0.4
193.05045	100.0
193.61111	0.3
194.05386	5.8
233.09546	3.3
247.97060	0.3
283.09790	0.3
293.08667	0.4
299.11389	0.3
341.14133	0.5
371.15027	0.5
413.14667	4.7
415.08221	0.4
431.15671	2.6
432.16086	0.5
457.13889	0.3
473.18127	0.5
485.18335	0.7
491.19424	0.6
503.19324	0.8
503.32614	0.4
533.20367	1.5
545.20337	1.0
547.27808	4.4
548.28143	0.5
607.20294	9.6
608.20654	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	606.3872
Annotation	Roseocardin
Peak:m/z	Relative Intensity
55.01771	1.4
57.03335	2.2
58.00478	5.7
59.01265	100.0
60.01586	0.8
61.28584	0.7
70.02868	0.9
71.01270	70.9
71.04972	0.7
71.58012	1.4
72.01604	1.2
72.04435	4.2
72.99194	6.8
73.02831	4.6
75.20641	0.8
78.95796	2.1
81.03387	1.0
83.01283	3.4
83.04937	1.0
85.02844	13.3
87.00769	5.2
87.04431	1.6
89.02338	85.0
90.02671	1.0
93.03369	2.4
95.01289	5.2
96.49775	0.8
98.02366	0.8
99.00841	0.9
99.04411	1.2
100.03942	1.6
101.02345	45.6
101.05985	0.8
111.04438	1.2
113.02354	29.2
114.02696	0.9
119.03416	44.9
120.03761	1.2
125.02373	2.5
131.03444	4.0
131.07085	2.7
135.04428	0.7
143.03455	8.6
143.07054	1.0
149.04506	3.5
151.00336	2.5
152.99529	1.7
161.04521	9.9
173.04504	2.3
178.99881	1.1
179.05573	31.8
182.08168	1.6
191.05629	6.7
223.20670	1.3
225.22243	26.0
226.22620	2.3
235.08430	0.7
253.21680	4.5
255.23277	3.4
270.24539	1.4
271.22824	8.6
277.21823	4.2
278.22296	1.2
294.24698	0.8
296.25952	1.5
314.27011	1.3
320.38226	0.8
326.27084	73.0
327.27444	9.2
336.60400	1.2
357.61044	1.4
379.15427	1.0
426.32376	16.5
427.32547	2.4
444.33289	5.9
475.65866	0.9
476.32352	1.6
516.22253	1.5
531.24146	10.7
585.26434	1.2
606.38751	81.5
607.28680	3.2
607.38898	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	605.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77828	0.2
58.86891	0.2
59.01270	3.0
61.98709	0.2
63.63240	0.2
69.77435	0.2
71.00916	0.3
71.01257	1.3
71.60967	0.3
71.61600	0.2
72.99186	0.8
73.02822	0.3
78.95797	56.1
80.96304	0.2
82.23100	0.2
83.01283	0.3
85.02840	0.7
87.00791	0.4
89.02342	0.7
93.03383	1.3
95.96093	0.2
96.96869	45.3
97.97308	0.2
99.00755	0.3
101.02342	0.4
106.47662	0.3
111.00829	0.5
113.02357	0.7
117.03371	0.6
119.04951	5.3
120.05278	1.4
121.02856	0.7
125.02468	0.2
135.04494	0.3
136.01587	0.3
144.50737	0.2
145.02913	1.1
146.03227	0.4
151.03947	0.9
152.00972	0.2
163.03978	3.4
164.04272	1.5
165.04381	0.5
173.04533	1.3
179.03410	0.2
191.05595	3.5
192.05875	0.2
195.06604	0.3
233.09508	100.0
234.09833	5.6
235.10036	0.5
323.53751	0.2
331.18933	0.5
353.19836	0.4
357.13538	0.6
408.51657	0.2
451.59421	0.3
457.13403	0.4
458.14084	1.1
459.14185	2.2
503.25183	2.3
504.25900	0.3
506.75244	0.2
561.77118	0.2
605.17902	1.0
605.29388	0.2
606.16705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27352	0.1
56.08508	0.1
56.44708	0.1
57.81026	0.1
59.01262	0.4
62.96309	0.2
71.01273	0.3
71.62774	0.1
78.12344	0.1
78.95796	62.3
79.89457	0.1
85.02858	0.2
87.00781	0.2
93.03364	0.5
95.96070	0.2
96.95953	6.7
96.96865	51.6
99.00739	0.1
107.04949	0.2
119.04980	0.3
136.74585	0.1
137.34612	0.1
161.02374	0.2
163.04028	0.2
173.04587	0.3
175.03944	0.2
191.05598	1.1
193.04944	0.2
195.08176	0.2
233.09503	100.0
234.09840	5.2
283.62650	0.1
307.24298	0.1
327.12442	0.2
339.12720	0.2
364.64560	0.1
498.68439	0.1
587.25751	0.2
605.19830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.2
57.03343	5.5
58.00475	2.8
58.26470	1.3
59.01267	98.4
61.98720	2.0
62.42812	1.4
67.01788	2.1
69.77849	1.4
71.01272	52.3
72.99204	6.2
73.02500	1.3
73.02831	8.4
75.00761	1.6
78.95811	3.6
83.01279	8.1
85.02847	19.5
87.00771	7.0
89.02341	35.7
93.03365	7.7
95.01309	2.2
96.95912	6.5
97.02831	3.2
98.19818	2.5
99.00791	5.7
101.02351	18.6
111.04432	2.3
112.01610	2.1
112.03600	1.4
113.02365	21.4
117.03329	2.3
119.03467	1.8
119.04931	8.9
125.02397	3.5
131.03432	10.8
134.03664	1.9
135.04475	2.1
137.02423	1.9
142.80739	1.6
143.03433	1.6
145.02917	7.1
149.04517	5.4
155.03525	1.9
159.02913	2.3
161.04494	8.2
163.03964	5.0
172.41899	1.4
173.04503	6.2
191.05586	34.6
192.05875	2.2
209.15425	5.4
211.07674	1.7
305.17987	1.5
322.04645	1.5
353.19846	4.8
358.11456	2.2
371.20648	5.5
413.21945	5.2
485.23502	2.5
503.25153	50.8
503.32660	2.7
504.25494	8.5
545.26123	100.0
546.26410	19.1
605.19861	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	605.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.8
71.32339	0.8
71.32699	1.0
78.95791	2.1
81.19912	0.5
108.92835	0.5
109.90425	0.5
121.66811	0.6
152.99516	1.1
167.03485	0.5
255.23268	0.6
396.00308	0.6
415.15509	1.0
416.16583	0.8
429.17105	1.1
430.17926	1.6
443.19058	1.0
444.19574	0.8
457.20367	1.7
458.21030	0.8
459.17993	2.9
471.18365	2.2
472.18936	1.2
473.19846	4.5
474.20264	1.0
485.19617	2.0
486.20584	3.3
487.21710	1.4
495.87592	0.7
499.17923	2.8
501.22928	2.4
502.22467	0.7
511.21463	2.7
512.22137	0.7
513.19757	2.8
514.20209	9.1
515.20935	1.1
518.19556	1.5
529.22614	100.0
530.22870	18.4
532.21082	1.6
533.22119	2.1
561.25226	0.6
562.25189	0.6
573.21558	1.9
605.24390	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	605.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94009	0.1
59.01261	0.2
59.50997	0.1
69.63100	0.9
78.95776	0.3
84.12606	0.2
88.18939	0.1
95.01110	0.2
98.19827	0.3
106.06525	0.4
157.77740	0.1
162.05618	0.3
221.07358	0.2
223.12411	0.2
247.08801	0.2
251.11961	0.2
255.23238	0.3
394.11865	0.3
399.16028	0.3
401.18384	0.3
409.14575	0.2
415.15781	0.7
416.16406	0.5
424.17056	0.2
427.15677	0.2
428.16461	0.6
429.17453	0.9
430.18085	1.6
431.18845	0.4
443.19611	0.9
444.19681	0.5
445.20364	0.4
453.16974	0.2
455.19186	0.3
456.15759	0.4
457.20874	1.7
458.16351	0.3
458.21115	0.6
459.17880	2.8
460.18692	0.4
461.23486	0.5
467.18814	0.3
468.19681	0.2
469.20337	0.4
470.21967	1.0
471.18127	1.5
472.18701	0.8
473.19809	4.8
474.20377	0.8
475.21890	0.2
476.18387	0.2
482.16812	0.2
485.19635	2.0
485.24118	1.2
486.20828	3.7
487.21326	1.3
490.15689	0.2
496.19257	0.9
497.19495	0.3
499.17682	2.1
500.18494	0.7
501.23950	2.9
502.23242	0.5
503.20633	0.3
504.27252	0.2
510.20923	0.2
511.21542	2.6
512.21967	0.7
513.19391	2.9
514.20142	8.5
515.20386	1.2
517.19012	0.7
518.19568	1.9
519.19714	0.3
527.21173	0.3
528.21674	1.0
529.22546	100.0
530.22870	18.5
531.20782	0.2
532.21344	1.7
533.22058	2.0
534.22479	0.3
546.22992	0.2
561.25006	1.0
573.21741	1.3
574.21588	0.2
605.23956	1.5
605.44458	0.3
619.64404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83397	0.6
59.01265	6.4
61.98722	1.2
63.96119	0.7
65.03855	0.5
70.13822	2.9
71.01277	1.6
72.99225	0.8
73.02862	0.9
75.26706	0.6
78.95813	0.6
80.96420	1.4
85.02840	1.4
87.00779	0.7
89.02354	0.8
93.03346	1.2
94.98009	0.6
96.95900	3.9
101.02367	1.1
108.27285	0.5
109.02847	0.7
113.02353	1.4
121.02871	100.0
122.03233	3.5
127.32664	0.6
133.02890	6.0
134.03185	2.6
135.04442	3.6
135.98291	2.4
136.04749	1.1
145.02901	1.5
151.38768	0.5
152.99522	0.7
158.22554	0.6
161.02390	20.7
162.02725	5.6
163.02881	1.3
171.10184	0.6
173.04630	0.7
179.03413	2.7
180.03773	0.5
191.05670	2.7
253.09334	0.5
299.02072	0.5
309.20807	1.2
397.15222	0.9
561.23633	1.6
604.28607	8.4
605.29675	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	605.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.7
59.01269	4.6
59.27741	0.5
61.98721	1.9
65.00198	0.8
68.24268	0.5
71.01286	1.2
78.95786	1.4
81.03342	4.8
83.01274	0.8
85.02850	1.4
88.98661	0.6
89.02349	1.0
93.03354	1.5
95.04932	0.8
96.95919	2.0
98.19818	1.7
99.04469	0.7
101.02332	0.7
109.02840	0.6
109.06506	3.6
111.04423	5.6
113.02341	1.0
115.01759	0.6
121.02901	0.6
122.03650	1.2
125.02361	15.4
132.02086	2.5
133.02878	40.6
134.03273	1.2
135.04445	19.6
149.02374	0.6
151.00336	1.3
151.07588	28.5
152.07916	1.6
153.05493	0.8
161.02386	100.0
162.02734	6.2
167.03421	0.9
173.04492	1.1
177.05469	1.1
179.03448	13.9
180.03792	0.8
191.05598	2.5
195.06604	94.2
196.06926	6.5
197.39391	0.6
203.03384	1.0
219.06625	1.2
229.69273	0.6
237.07855	0.6
271.02435	0.8
299.02045	2.0
314.04288	0.7
365.08826	39.6
366.09164	3.9
378.68915	0.5
381.11942	1.5
399.13354	1.2
437.18451	0.8
491.11890	1.8
501.30450	0.7
509.32581	0.7
519.14777	0.6
561.16211	42.4
562.16620	6.9
564.82465	0.6
564.91827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.6
59.01263	1.0
70.87050	0.9
70.87424	0.8
71.01257	0.8
73.02821	0.5
81.03358	2.6
83.01285	0.9
93.03380	0.7
96.95904	0.9
97.02881	0.7
98.20628	0.4
109.02946	0.5
109.06502	1.9
111.04433	2.8
122.03603	1.2
125.02370	6.1
125.13373	0.4
135.04428	0.7
149.02388	0.7
151.00287	0.6
151.07593	28.5
152.01100	0.7
152.07921	1.1
153.05612	0.4
158.11774	0.4
173.04372	0.4
175.00252	0.4
177.05643	0.5
179.03453	0.8
179.07140	0.5
191.05582	2.0
191.07124	0.8
195.06609	100.0
196.06984	5.8
207.06592	0.5
209.08206	1.9
219.06613	13.8
220.07109	0.8
237.07707	5.5
238.08113	0.6
249.07648	1.5
297.09683	0.5
341.39587	0.4
357.11993	19.9
358.12317	1.9
399.13025	25.1
400.13391	2.7
534.60187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.7
60.98892	1.0
60.99196	16.6
68.51194	0.5
71.01298	0.6
71.61350	1.3
78.95811	1.3
87.00780	4.0
88.00298	8.7
88.98705	100.0
89.02340	61.2
90.02708	0.7
95.57704	0.6
148.90938	1.3
152.99486	0.8
171.10115	0.6
172.71832	0.6
180.86005	0.6
191.05563	0.7
260.47974	0.6
263.66489	0.6
277.21814	1.2
288.78857	0.5
324.97934	1.2
343.79309	0.6
430.06122	0.6
511.63260	0.5
531.90607	0.6
603.20435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57230	0.4
57.03320	1.1
59.01267	4.9
60.99190	2.9
61.27760	0.4
61.98704	1.8
65.48806	0.4
67.01777	8.7
68.02109	0.4
68.53611	0.4
68.99699	0.7
69.03350	2.8
69.25094	3.5
69.25508	0.7
70.37329	0.4
71.01262	3.3
72.99194	0.5
73.02802	0.4
75.00755	1.1
77.03870	0.5
78.95815	0.4
79.52029	0.5
81.03371	2.3
83.04906	1.8
85.02842	14.7
87.00769	9.5
91.05428	0.5
93.03358	51.5
94.03693	1.6
95.04919	0.5
96.95919	1.2
97.02852	0.9
99.00760	0.9
99.04410	1.0
101.02350	0.6
104.02605	0.5
105.03370	0.9
107.04926	0.9
109.02851	2.6
111.04432	7.1
113.02309	0.5
115.03909	0.5
115.68631	0.4
117.03361	0.6
119.01316	2.3
121.02869	27.3
122.03222	0.6
122.03639	0.8
123.04452	3.3
125.02381	0.8
127.03949	4.8
129.01846	1.3
131.01288	1.7
132.02142	0.6
132.92085	0.4
133.02881	9.8
134.03625	1.3
135.04451	7.8
135.06670	0.4
137.02385	1.5
139.03923	0.8
143.03482	0.6
144.39075	0.4
147.00816	8.9
148.01599	3.6
149.02383	13.1
150.03070	1.4
155.03439	1.9
161.02383	21.4
162.02760	1.0
163.03949	3.4
164.04245	0.5
165.01881	8.8
165.05595	0.7
173.04512	26.1
174.04793	1.1
175.00336	5.2
175.03809	0.5
176.39133	0.4
177.01884	6.1
178.02321	0.4
179.03476	2.8
181.06630	0.4
191.05582	41.6
192.01022	0.5
192.05890	1.9
193.01440	1.8
193.88834	0.4
194.02231	0.5
205.07114	2.7
207.02980	2.7
215.05600	2.3
299.23721	0.8
307.20721	0.8
308.21548	1.0
309.22284	1.7
310.22690	0.4
323.23877	0.8
325.21817	13.7
326.22156	1.8
337.09229	0.6
339.23294	0.4
351.19946	2.6
353.08755	0.5
353.21283	7.0
354.21606	0.9
369.20660	1.2
379.19211	4.0
380.19745	0.7
381.08359	36.7
381.75208	0.4
382.08719	3.1
397.20374	0.7
399.25497	0.6
411.21826	2.0
489.27811	0.5
541.28345	0.5
557.27533	3.2
577.43488	0.5
585.27167	100.0
586.27557	19.3
586.34686	0.4
603.28003	14.0
604.28583	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06629	1.0
55.32996	1.0
55.50718	1.1
59.01257	8.2
61.98708	6.7
62.76948	1.1
68.99730	1.4
69.03342	2.7
69.44977	11.0
71.01270	3.9
73.02808	1.4
73.88963	1.5
78.95792	2.4
81.03316	1.8
83.04922	4.2
85.02840	5.6
87.00777	4.5
87.68546	1.2
91.05428	3.4
93.03358	21.9
96.21729	1.3
96.95913	5.3
97.02832	2.4
98.20531	2.4
107.04948	8.3
109.02839	2.0
111.04425	14.5
117.03403	1.3
119.04939	3.2
121.02813	1.7
127.03978	1.8
129.01807	1.8
131.01286	9.4
133.02841	7.1
134.03673	11.8
135.04451	46.8
136.04799	2.7
137.02347	4.2
139.03877	1.2
145.02873	1.9
147.00845	2.6
148.01631	9.3
152.99529	1.6
155.03442	16.9
161.02383	14.2
163.03955	36.3
164.04288	1.4
171.08151	1.3
173.04517	49.7
173.06035	2.6
175.00398	2.0
175.03966	1.7
176.01120	1.7
177.01877	5.7
179.03412	5.3
181.06558	6.4
182.07236	3.4
191.05560	22.6
197.09671	2.0
207.01006	2.8
207.02977	55.9
209.11795	6.2
211.11220	3.0
212.12086	2.1
225.04028	4.4
225.12921	6.9
235.36548	1.2
265.16003	3.6
271.02469	3.2
281.22760	2.5
291.21149	2.7
298.23120	3.6
299.02042	6.2
303.29218	1.3
308.21542	26.4
309.21896	5.3
313.25333	6.2
323.23859	31.9
324.20969	3.7
324.24289	3.2
325.21521	1.4
335.20319	1.7
339.05621	1.5
357.24384	2.5
367.22699	8.9
368.23013	1.5
381.08282	16.4
385.23929	42.6
386.24210	5.8
393.21033	1.5
399.09280	2.7
411.21863	100.0
412.22055	15.3
429.22873	3.4
585.27155	61.9
586.27423	11.2
603.28253	87.6
604.28613	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	603.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53835	0.1
59.01265	2.8
61.98717	0.4
65.30275	0.1
69.03345	0.2
71.01266	1.1
71.59750	0.3
72.99178	0.2
73.02840	0.4
78.95795	3.9
79.95628	2.5
81.03369	0.2
85.02840	0.7
87.00764	0.5
89.02346	1.4
93.03368	0.9
95.01202	0.2
96.95917	100.0
96.96811	6.0
97.95845	0.4
98.02390	2.3
98.95506	0.2
99.00781	0.6
101.02344	0.6
109.02859	0.3
111.04411	0.5
113.02348	0.5
113.28421	0.1
119.04989	0.5
121.02888	0.2
125.02340	0.2
127.03997	0.3
134.03661	0.2
135.04482	0.3
137.02348	0.3
145.02921	0.3
149.04489	0.8
149.05661	0.1
152.01172	0.2
159.04327	0.2
163.03941	0.5
173.04536	0.8
191.05592	4.3
192.05899	0.2
195.06554	0.3
217.14384	0.3
407.55014	0.2
461.36841	0.2
543.28668	0.2
544.27899	0.4
551.47479	0.2
603.18878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31661	0.5
53.10922	0.4
54.99460	0.4
55.01780	1.0
55.50716	0.4
57.03341	0.7
58.00487	0.9
59.01265	100.0
60.01612	1.4
60.97561	0.5
69.03331	1.1
69.67075	0.5
71.01271	31.8
71.36188	0.5
71.36518	0.9
72.01617	0.6
72.99199	0.7
73.02837	46.4
74.03178	0.7
75.00760	0.7
78.95796	9.2
78.96224	0.8
81.03342	0.7
82.38525	0.5
82.70676	0.5
83.01280	12.0
85.02840	4.7
87.00758	1.2
88.57906	0.5
89.02332	7.3
90.55443	0.5
95.01335	0.9
96.96862	6.7
97.02888	1.1
97.43247	0.5
101.02348	39.5
102.02686	0.6
113.02357	12.6
119.03414	3.9
125.02386	1.5
131.03412	3.8
132.76346	0.5
135.04472	0.8
143.03442	3.9
149.04492	6.8
155.03470	1.5
161.04504	12.9
162.04973	0.6
179.03571	0.5
191.05603	1.6
197.07523	0.4
203.05612	1.9
207.04298	0.7
215.38519	0.6
221.06671	3.5
233.09506	7.8
314.65033	0.5
429.09967	0.5
550.69684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	7.7
61.98717	0.5
71.01271	3.0
71.56194	0.5
73.02840	0.9
81.31419	0.3
83.01278	0.4
83.04921	0.5
85.02838	1.1
89.02335	1.2
93.03366	0.5
95.01280	0.4
97.02876	0.3
99.00784	0.4
101.02357	1.5
102.98499	0.3
103.64874	0.3
105.03370	0.3
109.02873	0.6
113.02370	1.9
113.03028	0.4
117.03361	0.5
119.04969	0.5
125.02406	0.5
132.02078	1.7
133.02885	33.0
134.03366	1.2
135.04446	9.2
136.04787	0.7
137.02335	1.3
143.03433	0.4
145.02904	1.0
151.11203	0.4
155.03497	0.4
159.04504	0.6
161.02399	100.0
162.02733	5.8
163.03993	0.7
173.04536	0.3
175.03883	0.4
175.11279	0.6
178.02702	0.3
179.03470	5.1
179.05040	0.4
179.05734	0.5
180.03787	0.5
191.05577	1.7
195.06554	0.3
203.03528	0.5
203.05525	0.5
242.05428	0.3
270.01627	0.3
311.26181	0.3
325.36432	0.3
329.56836	0.3
355.25073	0.6
391.74701	0.4
447.23962	0.3
456.23288	0.3
517.20874	2.2
518.21246	0.7
559.21967	45.1
560.22314	8.1
561.29010	0.5
603.28088	15.2
604.28296	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	603.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51905	0.3
54.78453	0.3
57.03341	1.5
59.01261	1.3
63.64638	0.3
63.96085	0.3
69.03335	0.6
71.01284	2.4
72.99197	1.5
73.02829	0.6
78.95790	0.5
81.03336	0.5
82.89204	0.3
83.01273	0.3
83.04919	3.5
85.02854	2.7
87.00745	0.6
89.02354	0.5
93.03361	1.1
95.01311	0.7
96.95881	0.4
97.02837	0.5
99.00780	0.8
101.02365	1.4
107.04930	0.4
108.02079	47.0
109.02895	8.6
109.06490	1.1
111.08069	22.4
112.08396	0.9
113.02377	1.4
115.68288	0.3
115.88857	0.3
119.04942	4.4
121.02886	0.6
122.03674	0.3
123.00813	0.7
123.04496	0.4
125.02375	0.7
129.09119	1.2
133.02866	0.9
134.03621	0.5
135.04420	1.5
137.02357	0.6
145.02876	0.9
147.04401	0.3
149.02432	0.3
151.00266	0.3
151.03935	0.9
152.01094	94.0
153.01828	5.3
155.07098	0.3
159.02913	0.4
159.04366	0.3
161.02383	0.9
161.04532	0.9
163.03960	7.8
165.05533	0.7
173.08153	17.1
174.08493	0.8
175.04027	0.4
177.01897	0.5
179.03407	0.9
191.05592	3.8
195.02963	0.3
205.05205	0.3
207.02962	0.8
251.05928	0.3
252.50394	0.3
271.08350	0.4
297.06219	0.6
315.07410	1.6
353.08789	0.3
403.12320	0.5
429.10480	9.5
430.10486	0.9
447.11481	3.4
482.29633	0.3
559.20276	2.0
603.19434	100.0
604.19745	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	603.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62941	0.6
56.67827	0.6
59.01265	11.6
71.01263	2.7
71.55775	1.1
73.02829	1.4
78.95817	0.8
82.45410	0.7
85.02828	1.9
87.00777	1.0
88.98717	1.5
89.02338	1.7
93.03366	2.0
96.95924	2.3
100.67775	0.7
101.02344	2.2
104.01284	0.6
107.26530	0.8
108.02108	0.6
109.02857	1.1
113.02334	1.5
115.24618	0.7
117.92845	0.6
121.02882	1.6
124.57623	0.7
127.03902	0.7
133.02878	2.2
134.03653	2.3
134.11015	0.6
135.04477	5.1
137.02304	1.0
147.04405	0.8
147.42079	0.6
161.02383	6.3
161.04489	1.2
162.03096	1.0
163.04037	1.1
165.05568	1.2
173.04471	3.0
175.03873	0.8
177.05522	1.3
179.03474	2.9
191.05594	6.8
192.99573	0.8
193.05002	1.6
195.06599	0.8
207.81598	0.8
209.02654	1.1
209.06061	0.8
221.06323	0.7
222.06923	0.9
223.07646	1.6
229.01675	0.8
234.06877	1.0
235.07715	2.5
237.05608	3.1
239.07082	1.0
249.05655	2.5
250.06320	1.5
251.03439	0.9
251.07224	3.7
263.07199	2.1
265.05127	1.4
266.05872	2.1
266.09528	1.6
267.06702	10.0
271.02768	1.2
277.05032	1.1
278.05850	1.2
279.06689	25.0
280.06940	3.3
289.04877	0.7
290.05917	0.9
291.06696	12.5
292.07520	5.1
293.08240	1.2
294.05728	1.4
294.09064	4.8
295.06183	34.3
296.06659	3.1
305.08179	1.5
306.05692	1.0
306.09006	12.5
307.06204	40.5
307.09488	2.7
308.06577	3.1
309.07748	2.8
310.08533	29.5
311.08704	3.9
321.07779	4.3
322.08524	20.3
323.08850	2.1
325.10870	74.5
326.11224	8.8
337.10895	100.0
338.11301	8.5
339.04990	0.7
353.08569	1.1
409.06177	1.1
463.63174	0.7
499.29980	1.0
529.17169	0.9
541.19019	1.0
543.27979	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23662	1.2
57.86437	1.4
59.01265	13.6
61.98706	1.8
69.89510	7.9
71.01262	4.9
71.82111	1.4
73.02834	3.6
78.95792	2.1
83.24889	1.2
85.02826	1.9
88.98669	1.8
89.02336	3.2
93.03366	2.7
96.95919	2.2
98.20482	1.4
101.02370	3.3
113.02353	2.6
121.02885	2.0
133.02815	1.3
134.03636	3.9
135.04427	4.8
149.04459	2.9
150.03267	1.7
161.02284	2.6
163.03998	2.0
173.04578	3.5
177.05588	1.5
179.03412	1.8
191.05595	10.6
192.05960	1.7
193.05069	3.7
209.02707	2.4
223.07614	2.8
235.07666	3.8
237.05542	4.2
242.22626	1.5
249.05591	2.9
250.06242	1.7
251.03377	2.4
251.07132	6.1
263.07159	2.6
265.05170	2.0
267.06702	13.1
268.06851	1.7
278.05734	2.0
279.06656	32.0
280.07034	2.6
281.08316	2.2
291.06717	17.1
292.07242	7.1
293.08066	2.5
294.09055	5.7
295.06189	39.2
296.06506	3.7
305.08115	2.1
306.09030	15.0
307.06189	53.4
307.09412	3.0
308.06558	4.5
309.07764	1.8
310.05121	2.9
310.08524	34.8
311.08691	4.6
321.07645	4.5
322.08539	25.1
323.08832	3.9
325.10861	74.9
326.07932	1.4
326.11188	8.8
337.10886	100.0
338.11298	11.6
409.06168	3.7
543.28076	2.1
603.11871	1.6
603.27496	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
57.37922	0.3
59.01268	3.9
59.03827	0.2
61.98728	0.3
69.03348	0.7
70.91563	0.5
70.91921	0.7
71.01276	2.1
72.99200	11.7
73.02840	0.8
76.36028	0.3
78.95795	18.1
83.01311	0.3
84.31789	0.3
85.02841	2.3
87.00787	1.1
89.02366	0.5
93.03352	4.0
93.03835	0.3
94.03677	0.3
95.01314	0.3
96.55446	0.3
96.95962	1.4
96.96867	12.9
98.81674	0.3
99.00816	0.8
101.02362	1.2
108.02081	0.6
111.00746	0.4
111.04452	0.6
113.02368	2.0
117.03371	6.7
118.03673	0.3
119.04946	100.0
120.05280	4.4
121.02879	0.6
127.03905	0.6
129.01900	0.3
131.03499	0.5
133.06519	0.3
135.04469	0.6
137.02362	0.7
145.02893	22.0
146.03265	1.1
149.02341	0.4
152.01108	0.6
161.04579	0.3
161.06013	0.8
162.03203	1.2
163.03958	70.5
164.04315	3.8
165.05528	1.2
173.04517	2.3
178.02654	0.3
181.05017	0.5
191.05585	10.7
192.05911	0.7
195.06683	0.5
205.05086	0.7
207.68393	0.3
219.06674	0.3
233.09499	27.4
234.09853	0.8
277.07242	0.8
282.85440	0.3
307.08273	0.4
320.75024	0.3
325.09229	0.7
336.08133	0.3
337.09079	0.3
343.11685	0.4
364.25623	0.3
367.10046	0.3
439.12524	7.5
440.12970	0.7
444.29300	0.3
457.13617	59.5
458.07956	0.5
458.13959	7.7
543.27972	1.2
555.21997	0.4
561.29053	0.5
603.16925	10.7
604.17261	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61869	0.2
59.01249	0.8
63.18885	0.3
69.74669	1.8
71.01273	0.5
72.99181	0.5
78.95793	61.8
80.69348	0.3
84.00320	0.3
89.02353	0.3
93.03359	0.4
96.96862	47.7
127.12978	0.3
150.03209	0.4
152.00998	0.3
161.02409	0.4
164.07111	0.4
165.05547	0.3
181.05002	0.3
191.05586	1.3
199.09760	0.3
201.04140	0.4
207.08534	0.3
249.08936	0.8
250.09338	0.6
251.10565	100.0
252.10936	5.1
261.06213	0.9
318.16879	0.3
353.15808	0.3
385.30783	0.3
386.13443	0.3
558.29120	0.3
601.17688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32645	0.2
55.39948	0.2
59.01267	4.7
71.01272	1.3
71.39526	0.4
73.02853	0.4
75.00787	0.2
85.02850	0.7
86.67863	0.2
87.00792	0.2
89.02354	0.4
89.03859	0.4
93.03316	0.3
95.04919	0.3
101.02348	0.4
105.03376	0.6
109.02839	0.4
113.02371	0.6
115.01749	0.2
117.03386	0.8
123.04481	0.3
131.03381	0.3
132.02109	2.0
133.02884	40.5
134.03596	1.8
135.04451	20.0
136.04782	0.6
137.02370	1.0
139.03995	0.3
145.02922	0.2
151.00374	0.2
159.04491	0.7
160.01593	0.2
161.02390	100.0
162.02725	4.8
163.03952	7.2
164.04453	0.4
173.06116	0.2
175.03967	0.5
178.02774	0.5
178.06316	6.0
179.03471	9.2
179.06808	0.4
180.03802	0.5
189.05984	0.2
191.05600	0.4
193.04991	0.5
193.08669	3.0
201.01831	0.2
203.03514	0.7
242.02231	0.8
243.02968	1.7
257.04593	0.5
270.01770	1.0
271.02487	1.7
285.04178	1.0
298.01248	0.2
299.01978	0.3
300.02768	0.8
313.03613	3.8
314.04282	2.6
315.05161	3.5
316.05435	0.3
320.62866	0.2
355.24927	0.2
365.08826	11.5
366.09201	1.2
372.93512	0.2
463.22537	1.2
463.72952	2.5
464.22791	0.5
488.35046	0.3
517.17352	1.9
518.16858	0.3
559.18317	40.6
560.18689	7.0
603.28119	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75456	0.3
59.01265	1.9
60.99194	13.8
61.98699	0.3
69.28500	3.1
71.01258	0.4
72.78435	0.3
72.99194	1.0
73.69282	0.3
85.02866	0.4
85.13220	0.2
87.00783	1.8
88.00294	2.7
88.98700	100.0
89.02335	13.2
89.99039	1.3
90.01862	0.6
97.02863	0.4
98.19753	0.5
101.02359	0.2
107.01236	0.2
126.11373	0.2
138.51352	0.3
154.85139	0.3
166.86554	0.3
173.04657	0.3
191.05589	0.8
191.07141	0.3
204.41020	0.3
206.68770	0.3
241.20253	0.3
306.56290	0.3
331.19244	1.1
349.20264	1.0
361.20203	0.4
377.38663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.2
60.69136	0.2
60.99194	14.6
62.05683	0.2
71.01271	0.5
72.99204	0.6
77.93842	0.2
82.38457	0.2
85.02842	0.4
85.94053	0.2
87.00777	1.7
88.00307	1.9
88.01065	0.2
88.98703	100.0
89.02340	13.2
89.02914	0.4
89.99047	0.8
90.01875	0.3
91.43502	0.2
109.02785	0.3
113.02353	0.5
116.97535	0.2
123.08123	0.3
152.01097	0.7
184.95151	0.2
191.05539	0.4
329.17703	0.3
331.19254	0.5
349.20221	0.4
361.20364	0.3
440.71402	0.3
452.15799	0.2
535.06293	0.2
601.21301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.2
58.47572	0.2
59.01262	2.5
60.99191	15.5
61.98703	0.3
71.01269	1.6
72.99198	0.5
73.02824	0.5
75.00786	0.2
83.01283	0.2
85.02848	1.0
87.00777	1.3
88.00289	1.7
88.98699	100.0
89.02335	8.8
89.02898	0.3
89.99023	1.2
90.51144	0.2
93.03360	0.6
95.01268	0.3
96.95910	0.5
96.96812	0.2
97.02914	0.2
97.06522	0.3
99.00819	0.2
101.02357	0.7
108.02077	0.8
109.02850	1.5
113.02348	0.7
119.03405	0.4
119.04926	0.3
121.02881	0.2
131.03430	0.2
134.03757	0.2
143.03511	0.2
145.02910	0.2
160.01485	0.2
161.04507	0.8
163.03963	0.3
173.04590	0.4
179.05611	0.4
187.20204	0.2
191.05527	1.5
193.39417	0.2
204.60965	0.2
220.48430	0.2
271.08350	0.4
283.02496	0.2
287.83615	0.2
303.19681	1.1
329.17609	1.2
331.19223	0.2
347.18692	3.0
348.19055	0.4
349.20322	0.4
353.23428	0.2
449.84967	0.2
463.22699	1.0
557.29779	0.4
605.79419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.5
57.03334	0.5
59.01264	2.9
59.97527	0.4
61.98703	0.6
69.03318	0.4
69.13882	0.3
69.47543	3.0
71.01271	4.3
72.99199	1.2
73.02831	1.2
75.00761	0.4
78.95815	0.6
81.03350	0.5
83.01296	0.7
85.02840	4.1
87.00773	1.0
89.02328	0.6
93.03371	2.0
95.01282	1.1
96.95931	1.2
97.02854	0.5
99.00776	1.0
101.02354	1.5
104.33320	0.3
107.04919	0.5
108.02081	54.5
109.02907	11.5
109.06489	2.9
111.04436	0.8
113.02370	2.3
116.92759	0.3
119.04947	1.1
121.02866	0.7
122.03687	0.4
123.00816	1.0
123.04443	0.5
125.02345	0.8
127.03931	1.0
127.07578	21.0
128.07913	0.5
128.92247	0.3
129.01770	0.4
133.02925	0.6
134.03670	1.4
135.04427	1.7
137.02356	0.7
150.03119	0.6
151.00354	0.5
151.03947	1.4
152.01096	100.0
153.01753	5.8
161.02383	0.7
161.04535	1.3
163.03975	4.5
164.04428	0.4
165.01805	0.4
165.05528	0.8
166.02698	0.3
171.06607	3.8
173.04521	1.1
175.03946	0.7
177.01860	1.0
179.03447	1.6
181.05098	0.6
191.05598	4.1
191.07185	0.6
192.05977	0.4
193.05032	0.8
195.06566	0.7
205.05003	0.4
207.02913	0.6
209.08223	0.4
271.08310	0.6
275.16159	0.3
315.07251	2.1
330.59302	0.4
357.09827	0.3
403.12741	1.3
429.10461	10.5
430.10706	0.4
447.11557	6.0
448.12640	0.4
557.18872	3.9
558.19458	0.5
583.16791	4.0
584.16681	0.4
601.17877	96.2
602.18219	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.8
68.12992	0.2
69.35658	0.8
69.36079	2.0
70.02826	0.3
71.01257	1.3
77.82572	0.2
78.95793	54.9
79.95628	0.6
89.02336	1.7
96.95917	33.1
96.96863	100.0
101.02356	1.4
108.90108	0.4
111.00797	0.3
113.02381	0.5
119.03447	0.4
119.04922	1.1
134.03644	0.4
145.02896	0.8
160.01569	0.4
161.04498	0.5
163.03964	0.4
173.35703	0.3
175.03989	0.7
179.05598	3.6
191.05516	0.4
201.04048	1.3
209.01642	0.3
226.06119	0.4
238.06461	0.5
238.93094	0.3
251.07239	0.3
253.08727	1.1
254.09129	0.3
255.83760	0.4
259.02264	1.6
261.06277	1.5
295.09958	0.4
341.10852	0.5
407.10330	0.4
437.10849	0.6
439.08359	0.3
503.16437	2.3
601.13971	6.9
602.14136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64220	0.4
59.01266	100.0
60.01606	1.8
60.99187	4.3
61.98722	1.4
63.57656	0.4
69.03341	0.9
71.01272	6.7
72.99197	0.7
73.02858	1.2
75.00776	0.7
78.05922	0.4
78.91795	0.6
78.95798	0.9
83.01266	1.1
85.02840	3.8
87.00776	3.2
88.98701	29.0
89.02328	2.3
93.03367	3.4
96.95918	3.2
97.02866	1.5
99.00803	0.9
101.02341	2.3
109.02890	1.9
111.00787	0.8
111.04435	0.9
113.02363	4.2
117.03403	0.9
119.04964	3.0
123.04472	0.5
129.01863	1.5
133.02907	1.5
135.04454	1.9
145.02884	3.6
147.04472	0.6
160.01689	0.5
161.02409	2.0
161.04558	0.5
162.02776	0.7
163.03978	2.9
165.05522	0.5
173.04533	2.3
175.04031	0.5
179.03482	1.4
191.05577	7.3
195.08099	0.5
201.04063	0.8
209.11876	0.5
210.06848	1.0
211.07658	0.5
247.09842	0.7
249.09410	0.8
261.06223	2.0
313.05823	0.5
319.46429	0.5
333.20511	0.5
335.22144	0.5
354.16888	2.3
372.17880	0.9
373.07953	1.0
389.08746	0.5
455.40015	0.5
461.25549	1.0
479.26614	42.7
480.26917	7.2
480.33295	0.7
497.27609	5.1
498.28619	0.7
511.43344	0.6
537.27454	0.5
539.28784	5.6
540.29309	1.6
555.14948	1.1
555.28491	0.7
563.21588	0.6
581.22852	1.1
599.23950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01603	1.4
61.98727	0.6
63.46271	0.3
69.03334	0.3
69.34124	1.3
69.34551	2.0
71.01277	4.2
72.99216	0.4
73.02850	1.1
78.95826	0.3
79.29877	0.3
81.80184	0.3
83.01300	1.0
83.79453	0.3
85.02858	3.2
87.00780	0.9
88.01360	0.3
89.02347	0.8
93.03391	0.8
95.01308	0.7
96.95932	1.1
97.02885	0.6
98.19775	0.6
99.00818	0.6
101.02335	1.8
109.02930	0.5
113.02367	2.8
113.17484	0.3
119.04921	0.3
134.03677	0.3
135.04529	0.3
142.74229	0.3
143.03461	0.3
148.05276	1.0
159.10228	4.8
161.02342	0.4
161.04579	0.6
163.07582	0.7
166.31564	0.4
173.04523	0.7
191.05611	1.9
201.04117	0.3
208.72394	0.3
235.38199	0.3
253.84647	0.3
261.06461	0.3
335.22449	0.7
354.16940	3.6
355.17383	0.7
372.18024	0.8
414.19095	0.5
447.44666	0.3
457.17404	0.5
479.26620	35.8
480.26950	6.0
497.27774	4.0
498.28003	0.7
539.28741	8.7
540.29156	1.5
563.21503	0.3
581.22302	0.4
599.23444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44025	0.8
57.03322	1.6
59.01264	22.6
61.98688	1.7
66.59188	1.0
67.89780	1.0
68.58472	1.0
69.03331	1.5
71.01272	5.6
71.55998	1.2
73.02837	3.5
73.84655	0.9
74.02368	1.0
75.00761	1.2
80.56499	1.0
83.01283	1.7
83.04930	1.0
85.02838	6.1
87.00797	1.7
89.02297	1.1
93.03350	2.0
96.95901	7.8
99.04400	1.6
99.73035	0.9
101.02334	5.8
102.08755	1.0
109.02849	1.1
109.79776	1.1
111.04402	1.1
113.02353	3.6
127.07576	39.6
128.03426	1.4
128.07880	1.6
130.48143	1.0
133.02872	7.9
135.04445	4.3
137.02396	1.2
137.09641	2.3
143.04561	2.6
161.02394	22.7
161.04492	1.8
161.68329	1.1
162.02795	1.2
163.11200	3.0
165.12860	1.4
173.04578	1.6
179.03430	3.6
181.12396	1.4
182.12947	1.1
183.13734	1.3
191.05585	8.0
195.06537	1.8
271.20712	3.0
289.21863	5.9
302.42651	0.9
306.07703	3.3
307.08054	1.1
307.22852	71.9
308.23276	6.6
331.22702	3.9
333.20682	3.6
335.22348	3.2
351.21829	100.0
352.22177	10.9
353.08862	1.1
375.21692	2.5
377.23367	1.7
393.22842	2.3
436.42545	1.0
455.09659	1.0
496.17166	1.1
505.52838	1.1
555.27881	2.5
599.25018	6.5
599.31122	5.4
600.25610	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
57.03342	0.5
59.01267	7.1
61.98423	0.3
61.98718	4.8
67.01778	0.3
69.03336	1.0
71.00897	0.4
71.01273	7.0
72.99199	1.9
73.02846	2.2
75.00778	0.3
78.10429	0.2
78.95805	0.3
81.03343	0.3
83.01269	1.1
83.04912	0.4
85.02846	5.5
87.00787	2.5
88.98692	0.8
89.02344	1.2
93.03389	1.6
95.01281	2.1
95.04921	0.3
96.95911	2.4
97.02856	0.9
97.06479	0.7
99.00781	2.7
101.02353	2.7
108.02081	13.0
109.02872	8.9
110.03253	0.3
111.00785	0.7
111.04422	0.4
111.31828	0.2
113.02354	5.7
116.92708	0.2
117.03353	0.4
119.04971	0.5
121.02856	0.8
123.00844	1.1
123.04456	0.3
125.02354	0.4
129.01859	0.7
131.03439	0.3
133.02884	1.4
134.03688	1.1
135.04475	1.1
137.02383	0.9
139.03979	0.3
141.01799	0.3
143.03424	1.0
145.02855	0.6
147.04477	1.5
151.03926	0.8
155.03455	0.6
159.03052	0.4
159.04480	0.3
159.06604	0.5
160.01628	0.6
161.02368	1.0
161.04495	3.4
163.03987	2.5
164.04539	0.3
171.10204	0.6
173.04538	1.5
173.05815	0.3
175.03976	1.0
177.01904	0.5
178.02576	0.3
179.03514	0.8
181.05013	0.3
183.13876	12.8
184.14217	0.6
187.03979	0.2
187.07599	0.3
189.05679	0.2
191.05598	3.7
192.04274	3.6
192.05899	0.6
193.05043	1.5
195.06609	0.2
195.13876	11.9
196.14304	0.4
205.05185	0.4
207.06644	3.1
208.06918	0.3
209.11823	1.0
210.06836	0.2
211.07697	0.2
211.13321	0.3
213.14958	100.0
213.86751	0.2
214.06543	0.3
214.15294	5.7
217.05057	0.3
217.22098	0.2
219.05037	0.5
221.04478	0.2
229.08629	0.3
232.07375	0.3
243.05046	0.4
271.08255	1.9
313.09741	0.3
331.08270	0.9
335.22202	0.6
351.21869	0.3
355.11880	0.7
371.14896	0.3
385.11505	6.4
386.11697	0.5
389.16162	0.3
391.10620	1.0
392.10773	0.3
403.12552	21.3
404.12793	2.1
479.26553	0.5
497.27628	0.4
539.28564	0.5
555.27893	0.4
563.21747	0.4
581.22479	0.7
599.23889	1.8
600.23553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
57.03342	0.5
59.01267	7.1
61.98423	0.3
61.98718	4.8
67.01778	0.3
69.03336	1.0
71.00897	0.4
71.01273	7.0
72.99199	1.9
73.02846	2.2
75.00778	0.3
78.10429	0.2
78.95805	0.3
81.03343	0.3
83.01269	1.1
83.04912	0.4
85.02846	5.5
87.00787	2.5
88.98692	0.8
89.02344	1.2
93.03389	1.6
95.01281	2.1
95.04921	0.3
96.95911	2.4
97.02856	0.9
97.06479	0.7
99.00781	2.7
101.02353	2.7
108.02081	13.0
109.02872	8.9
110.03253	0.3
111.00785	0.7
111.04422	0.4
111.31828	0.2
113.02354	5.7
116.92708	0.2
117.03353	0.4
119.04971	0.5
121.02856	0.8
123.00844	1.1
123.04456	0.3
125.02354	0.4
129.01859	0.7
131.03439	0.3
133.02884	1.4
134.03688	1.1
135.04475	1.1
137.02383	0.9
139.03979	0.3
141.01799	0.3
143.03424	1.0
145.02855	0.6
147.04477	1.5
151.03926	0.8
155.03455	0.6
159.03052	0.4
159.04480	0.3
159.06604	0.5
160.01628	0.6
161.02368	1.0
161.04495	3.4
163.03987	2.5
164.04539	0.3
171.10204	0.6
173.04538	1.5
173.05815	0.3
175.03976	1.0
177.01904	0.5
178.02576	0.3
179.03514	0.8
181.05013	0.3
183.13876	12.8
184.14217	0.6
187.03979	0.2
187.07599	0.3
189.05679	0.2
191.05598	3.7
192.04274	3.6
192.05899	0.6
193.05043	1.5
195.06609	0.2
195.13876	11.9
196.14304	0.4
205.05185	0.4
207.06644	3.1
208.06918	0.3
209.11823	1.0
210.06836	0.2
211.07697	0.2
211.13321	0.3
213.14958	100.0
213.86751	0.2
214.06543	0.3
214.15294	5.7
217.05057	0.3
217.22098	0.2
219.05037	0.5
221.04478	0.2
229.08629	0.3
232.07375	0.3
243.05046	0.4
271.08255	1.9
313.09741	0.3
331.08270	0.9
335.22202	0.6
351.21869	0.3
355.11880	0.7
371.14896	0.3
385.11505	6.4
386.11697	0.5
389.16162	0.3
391.10620	1.0
392.10773	0.3
403.12552	21.3
404.12793	2.1
479.26553	0.5
497.27628	0.4
539.28564	0.5
555.27893	0.4
563.21747	0.4
581.22479	0.7
599.23889	1.8
600.23553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	59.4
61.98714	1.7
62.45093	1.0
66.47819	1.2
67.01758	1.0
69.80840	1.1
71.01283	2.8
71.59699	1.9
78.91781	1.0
78.95731	1.3
79.95612	3.0
81.68364	1.0
82.76891	1.1
83.83792	1.3
85.02844	3.8
87.00765	2.1
89.02324	1.3
91.11548	1.3
93.03338	5.8
96.95918	100.0
107.45252	1.2
107.51495	1.0
108.02087	4.0
109.02860	1.7
111.04432	1.6
118.01733	1.1
119.04954	2.3
121.02874	3.1
125.02350	1.7
135.04488	1.3
136.11885	1.1
149.01224	2.3
149.02385	36.6
150.03204	10.8
152.01091	3.3
159.86148	1.1
163.03922	2.5
164.04729	11.5
165.05533	19.5
166.06079	1.4
167.07089	1.3
173.04526	2.0
180.04204	1.8
191.05594	41.5
192.05984	1.7
195.06647	13.1
201.11288	3.1
314.11652	21.5
315.12039	2.6
329.14026	85.2
330.14334	8.0
377.16147	47.2
378.16495	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	599.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.2
55.88287	0.2
57.03333	0.8
59.01266	1.6
60.32224	0.2
61.98715	1.0
68.05006	0.2
69.03345	0.5
69.44358	0.3
69.44766	1.7
71.01266	1.1
72.99201	23.1
73.02831	0.6
73.99538	0.2
78.95792	0.7
83.01263	0.2
83.04926	0.2
85.02851	1.1
87.00796	0.4
89.02331	0.3
92.17513	0.2
93.03374	1.4
95.01285	0.2
96.95892	0.6
97.02869	0.3
99.00791	0.8
101.02348	0.7
109.02838	0.2
111.00818	0.4
112.01562	0.2
113.02354	3.3
113.09645	1.7
114.02774	0.2
117.03365	1.1
119.04948	100.0
120.05281	4.6
121.02853	1.0
123.04411	0.3
128.61893	0.2
131.03442	0.5
133.02853	0.2
134.03781	0.3
135.04448	0.3
141.09134	0.3
145.02905	3.7
146.03299	0.2
147.04486	0.2
153.48022	0.2
159.10220	11.2
159.14503	0.2
160.10519	0.6
161.02368	0.2
161.06038	0.5
162.03163	1.7
163.03960	73.2
164.04294	3.0
175.07539	0.4
185.06070	0.2
191.05553	0.8
201.04100	0.6
203.06990	0.2
205.05055	0.4
217.05011	0.4
219.06590	0.9
261.06244	0.4
277.07281	1.5
282.41919	0.2
303.29297	0.2
307.08298	1.1
325.09351	0.9
381.08395	0.3
381.62759	0.2
421.10965	0.3
439.12552	16.9
440.12680	1.9
455.52267	0.2
457.13635	18.1
458.13828	2.4
599.23602	36.1
600.23999	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	599.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.7
60.99196	15.7
61.98725	0.2
64.92046	0.2
69.03355	0.3
69.37562	2.2
71.01274	0.6
72.99204	1.1
73.02837	0.3
74.44794	0.2
78.95815	0.7
79.29813	0.2
85.02831	0.4
87.00761	2.1
88.00301	2.6
88.01121	0.2
88.98705	100.0
89.02341	11.2
89.99033	1.2
90.01892	0.3
90.02660	0.4
93.03361	0.7
96.95916	0.4
97.02850	0.3
101.02329	0.2
103.66370	0.2
113.02343	0.4
116.57282	0.2
119.04967	0.5
121.91175	0.2
123.08034	0.3
133.02942	0.2
141.05513	0.3
145.02946	0.3
153.09190	0.2
163.03981	0.3
173.04535	0.5
174.25557	0.2
191.05609	1.4
201.04022	0.4
329.17682	0.7
347.18661	1.2
477.97531	0.2
555.28308	0.9
556.29071	0.3
599.24329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58583	2.1
58.00478	2.7
59.01266	100.0
61.98714	2.9
64.14323	1.8
69.03352	11.6
69.73651	2.1
71.01273	60.4
71.60491	2.7
72.99200	7.7
78.03297	2.1
78.95797	28.8
83.01279	6.1
85.02844	14.5
87.00776	11.5
89.02337	72.4
93.03370	37.2
95.01272	4.2
95.04926	3.3
96.95907	17.6
96.96854	20.1
97.02859	12.3
101.02355	24.9
108.02072	4.5
109.02888	4.0
111.00771	12.0
111.04434	4.8
113.02371	23.4
114.17505	2.6
115.00298	6.8
117.03436	4.1
119.03410	29.6
119.04862	10.3
121.02867	4.7
123.04446	2.7
129.01826	3.6
130.04189	2.5
131.03432	4.0
133.02827	2.2
134.03613	3.0
135.04453	4.7
137.02425	2.6
141.01857	10.3
143.03448	8.4
143.04948	6.7
145.02873	7.4
147.04517	3.7
149.04547	2.7
152.01111	6.4
161.02403	4.3
161.04517	8.8
162.03169	22.9
163.03897	9.4
166.02826	2.0
166.06339	8.0
173.04471	8.1
177.05530	18.2
179.03474	2.5
179.03766	2.8
179.05569	38.4
180.06023	2.5
181.08641	4.1
191.05595	31.4
195.06558	4.0
195.08148	15.7
201.04013	56.0
202.02673	3.4
202.04430	3.0
219.04996	2.6
219.08073	4.2
221.09816	5.0
243.05182	7.6
249.09215	22.8
250.09480	3.4
261.06216	75.0
262.06451	4.1
287.31720	2.6
293.08359	13.7
297.09006	2.8
309.32748	2.2
311.09219	13.6
312.09622	2.7
327.08878	3.6
357.11942	2.5
361.23834	2.1
397.14337	28.6
398.14673	3.4
539.21429	4.6
555.15625	4.7
556.15204	2.9
599.19354	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	599.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.6
57.03330	0.6
59.01264	6.5
59.05068	0.3
61.98720	3.0
69.03341	2.9
71.01272	3.0
72.99200	15.6
73.02851	0.8
78.95798	2.4
81.03355	0.7
83.01274	1.2
83.04901	0.5
85.02845	2.3
87.00751	1.7
89.02341	0.9
93.03366	7.3
95.04928	7.4
96.95908	2.0
96.96863	1.6
97.02851	1.9
97.06496	32.1
98.06837	1.3
99.00779	1.0
99.04366	0.3
101.02338	0.8
102.56648	0.3
109.02846	0.5
111.00790	2.5
111.04454	0.7
113.02361	2.5
115.00286	1.0
115.05452	0.4
115.07562	8.6
117.03374	1.3
119.04945	100.0
120.05285	3.9
121.02886	1.1
123.04440	0.8
131.03464	0.7
131.04970	0.5
133.02879	0.7
134.03711	0.4
135.04460	0.7
137.02409	0.6
141.01886	2.0
141.05482	1.1
143.04961	0.9
145.02884	3.5
159.06583	32.3
160.06921	0.8
161.02380	1.2
161.06012	0.6
162.03171	1.0
163.03960	73.4
164.04308	3.5
173.04524	0.4
177.08702	0.4
179.03461	0.5
191.05580	3.4
195.08115	2.9
201.04036	11.2
202.02692	0.6
205.05101	1.3
217.05055	0.6
218.79663	0.4
219.04971	0.5
219.08289	0.8
221.09723	0.8
223.11240	0.8
233.09473	1.3
243.05202	1.9
249.09221	4.5
250.09520	0.6
261.06223	14.4
277.07275	1.3
293.08295	3.0
307.08218	0.7
308.08795	0.4
311.09247	3.1
312.09641	0.5
325.09433	2.0
359.06393	0.9
373.09064	0.3
435.15024	1.0
439.12521	10.3
440.12888	1.2
457.13626	17.6
458.14069	2.2
495.65607	0.4
498.01837	0.3
539.34460	1.9
555.15063	2.0
557.21539	0.3
599.19940	93.0
600.20325	16.9
600.29999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96721	0.5
59.01264	23.8
60.01595	0.6
61.98717	6.0
69.03329	1.8
69.70919	2.0
69.71350	1.6
71.01269	1.0
76.33176	0.5
81.03346	1.1
83.01283	1.0
85.02861	0.6
87.00773	3.1
88.56009	0.5
93.03360	3.9
95.01305	0.6
95.04906	1.2
96.95921	1.2
97.02853	2.1
98.92226	0.5
108.02096	4.0
109.02872	1.8
111.00790	2.8
117.03384	5.2
119.04947	100.0
120.05268	4.6
121.02883	1.4
129.01839	1.6
134.03644	0.6
135.04436	1.6
141.01837	1.4
145.02887	21.0
146.03217	0.9
147.04453	28.9
148.04819	1.6
161.02397	0.5
163.03960	80.7
164.04333	3.9
166.56335	0.6
183.02969	5.2
191.05598	1.4
201.04027	37.8
202.04414	1.3
206.07367	0.8
207.08165	1.1
208.08646	0.6
219.05162	1.9
221.09735	14.0
222.10449	4.1
223.11282	8.1
224.11659	1.0
237.09209	11.6
238.09723	0.6
243.05109	8.4
249.09277	1.7
261.06189	8.3
262.06693	0.6
267.10312	5.5
303.07114	0.8
311.09244	3.9
331.08295	10.9
347.07813	0.9
391.10416	24.0
392.10706	2.5
407.09891	11.2
408.10416	1.3
451.13980	5.8
452.14658	1.2
511.16168	9.5
512.16608	1.4
555.15338	4.7
556.16144	0.7
598.32050	0.9
599.23462	1.2
614.04370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	2.1
59.01265	44.7
60.01606	1.1
65.03857	1.2
67.54867	1.1
69.03344	12.0
71.01262	6.4
71.38583	2.2
73.02853	2.7
81.03352	2.4
83.01281	4.6
83.04889	1.5
85.02852	1.1
87.00765	6.5
93.02767	1.8
93.03362	32.9
94.03688	1.2
95.01262	1.4
95.04929	2.7
96.99212	4.2
97.02861	14.5
102.69362	1.1
109.02844	2.6
111.00792	15.4
111.04400	1.4
115.00303	6.8
115.05420	2.9
117.03429	2.7
119.04950	1.9
121.02852	1.1
123.04554	1.0
127.07581	1.1
128.42690	1.0
129.01828	2.5
130.04155	1.8
131.04951	1.7
139.03951	2.0
141.01860	10.4
143.04938	3.7
145.02875	2.7
157.05011	1.5
158.03674	1.3
183.02919	2.9
195.08136	28.3
196.08447	2.0
201.04041	68.9
202.04346	3.0
206.07259	1.3
207.08171	4.4
219.05116	6.2
219.08147	9.5
221.09734	9.4
223.11284	7.4
234.06863	5.1
243.05121	22.1
249.09248	37.4
250.09534	2.8
261.06223	100.0
262.06677	5.4
293.08264	36.0
294.08585	2.9
311.09375	21.9
312.09641	2.2
332.19379	2.0
335.09415	2.4
359.06271	8.6
451.13974	1.9
511.16196	4.8
554.26990	4.8
555.15106	12.5
555.27344	4.2
556.15259	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	599.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.2
57.03332	1.5
59.01266	46.1
61.98706	6.1
69.03349	16.3
71.01278	9.9
71.22668	1.2
71.57200	2.1
72.99197	16.5
73.02825	1.7
73.68510	1.2
78.95797	7.0
81.03348	2.6
83.01284	5.5
83.04868	1.4
85.02836	3.6
87.00777	8.2
89.02348	2.2
93.03363	43.3
94.03687	2.5
95.01257	1.7
95.04935	7.8
96.95890	4.5
96.96857	4.8
97.02855	16.7
97.06493	22.7
101.02339	2.6
109.02875	3.4
111.00791	21.7
111.04398	1.5
113.02371	5.9
115.00272	6.7
115.05445	3.7
115.07552	5.4
117.03369	4.9
119.04950	85.7
120.05281	3.6
121.02872	2.8
123.04436	2.4
129.01842	2.3
130.04170	3.0
131.04973	1.8
133.02896	2.7
135.04466	1.7
139.03944	1.9
141.01862	12.0
143.04955	6.0
145.02863	5.7
157.05038	1.9
159.06573	24.4
163.03961	59.6
164.04341	2.1
179.03539	2.2
191.05557	4.6
195.08124	23.6
196.08519	1.5
201.04033	81.4
202.02805	2.6
202.04398	3.9
207.08107	3.6
207.45894	1.3
219.05066	7.6
219.08167	6.3
221.09695	8.5
223.11324	6.1
233.09506	4.0
234.06798	2.1
243.05110	11.2
244.05602	1.3
249.09248	33.4
250.09645	2.4
261.06213	100.0
262.06534	5.0
277.07245	2.2
293.08273	18.2
294.08698	2.4
311.09357	23.3
329.32645	1.6
359.06192	5.7
365.18552	6.3
435.15588	1.5
439.12598	6.4
449.94067	1.4
457.13730	11.0
458.13501	1.4
458.77594	1.3
511.16422	1.6
539.34515	2.0
555.15137	11.5
556.15814	1.4
599.19958	60.0
600.20416	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	599.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.8
57.03333	0.5
58.91299	0.5
59.01266	33.0
61.98711	1.0
67.01768	0.8
67.17495	0.4
69.03347	15.4
71.01274	2.4
71.42974	0.9
73.13455	0.4
75.00766	1.2
77.03840	0.5
81.03351	2.0
81.72559	0.4
83.01285	5.2
83.04905	1.2
85.02843	1.5
87.00770	3.4
89.02353	0.9
93.03362	15.9
94.03725	0.8
95.01289	1.4
95.04919	3.0
96.95909	0.5
97.02856	16.9
98.03210	0.6
99.00822	0.5
101.02374	0.7
109.02874	2.9
111.00792	19.2
111.04418	1.4
112.01089	0.6
112.98064	0.4
113.02349	1.2
115.00288	0.8
115.05447	1.2
117.03353	1.5
119.04971	1.2
121.02870	1.1
123.04481	0.6
125.48064	0.4
129.01843	2.0
131.04938	0.7
133.02902	1.2
137.02318	0.5
141.01874	13.5
143.04916	1.1
145.02852	1.1
148.08992	0.4
150.98247	0.5
152.27844	0.5
153.01942	1.1
157.05006	1.9
167.03467	0.5
183.02827	0.6
191.05602	0.9
195.08142	15.3
196.08450	1.5
196.77708	0.5
201.04034	51.6
202.04376	2.3
207.08200	1.3
219.05092	2.6
219.08174	3.4
221.09650	2.3
223.11258	1.2
234.06882	1.9
235.07613	0.7
243.05286	2.2
243.07381	0.5
247.07820	0.5
248.08563	0.5
249.09244	13.7
250.09630	1.3
261.06216	100.0
262.06558	6.7
293.08252	7.8
307.06427	0.5
311.09360	1.6
359.06369	0.7
459.82837	0.6
555.15112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72137	1.0
54.37220	0.9
55.01771	1.4
57.03348	1.9
59.01265	54.9
61.44932	1.0
61.98718	5.5
67.01779	1.6
69.03345	17.0
71.01266	10.7
71.57276	1.6
72.99208	3.1
73.02842	1.7
77.03854	1.0
78.95792	4.0
81.03363	2.3
83.01289	6.2
83.04915	2.5
85.02837	6.4
87.00778	11.3
88.98704	2.0
89.02309	2.3
91.61272	1.0
93.03360	60.4
94.03725	1.7
95.01275	2.2
95.04916	5.2
96.95919	11.1
96.99198	1.9
97.02849	17.2
97.06498	3.5
99.00768	1.4
101.02374	3.9
108.02076	2.0
109.02856	4.1
111.00796	22.7
111.04438	2.6
113.02345	3.4
115.00269	9.3
115.05444	3.4
117.03371	4.9
119.04089	1.2
119.04949	23.1
120.05229	1.2
121.02892	4.1
123.00797	1.5
123.04430	3.7
125.02343	1.5
127.03914	1.3
127.07553	4.8
129.01862	3.2
130.04170	4.5
131.05048	1.1
133.02890	3.6
134.03642	1.7
135.04416	2.3
137.02303	2.6
139.03964	1.7
141.01854	15.1
143.04962	8.2
144.05260	1.3
145.02919	4.9
146.03316	1.1
147.04475	2.6
150.03107	1.1
152.01035	3.0
153.01865	1.2
155.03503	1.6
157.05003	1.8
159.06587	2.6
161.02309	2.5
163.03970	13.5
171.06505	1.7
173.04535	5.2
173.05853	1.3
179.03430	1.8
183.02930	1.7
191.05615	15.8
193.05051	2.0
195.08147	25.5
196.08504	2.5
201.04033	83.7
202.02672	5.5
202.04375	4.3
207.08093	3.9
219.05072	6.4
219.08167	7.9
221.09737	9.9
222.10208	1.2
223.11308	5.6
234.06888	2.5
242.05832	3.3
243.05154	12.1
244.05698	1.1
249.09242	36.5
250.09618	5.2
257.08197	3.6
261.06207	100.0
262.06595	5.6
267.07288	1.3
274.49106	1.1
293.05194	1.6
293.08279	20.3
294.08563	3.2
311.09290	26.9
312.09592	3.1
337.07196	2.4
341.05255	2.6
359.06226	6.3
377.29419	1.6
457.13666	3.5
511.16544	1.9
539.12799	1.3
539.34430	4.9
541.19019	1.2
555.15234	11.8
556.15375	2.4
587.60919	1.1
598.41577	1.5
599.20203	12.9
600.20416	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	598.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07862	0.4
58.02862	6.9
59.01270	2.8
61.98711	0.6
66.03375	0.7
69.31416	1.0
69.31823	3.3
70.02888	1.0
71.01266	1.0
72.00793	0.6
72.20161	0.4
74.02363	15.4
75.00787	0.4
81.46013	0.4
82.02861	1.3
84.04431	0.8
85.02838	0.9
85.03954	0.6
86.02360	5.0
86.06023	1.0
86.98988	1.3
87.05540	3.5
90.00084	1.5
93.03370	0.5
96.95892	0.5
97.03984	1.9
99.05541	11.9
101.07118	2.1
102.05492	1.5
107.06025	0.9
109.04031	2.3
109.07610	0.8
109.31463	0.4
110.05990	0.5
111.05531	1.5
112.03939	1.7
113.02366	0.8
113.03481	0.5
115.81533	0.4
116.01663	1.2
120.01138	0.6
123.05553	1.8
124.03946	0.8
125.03484	1.1
125.07906	0.4
126.01881	0.6
127.05049	2.5
127.07577	1.3
128.03459	35.7
129.03807	1.0
131.04573	0.9
135.05569	3.3
137.07089	0.6
139.30069	0.4
141.06650	3.0
143.04562	49.9
144.04895	1.2
145.06088	2.4
146.04533	4.8
149.07164	0.7
153.06642	3.7
155.08223	0.4
160.00677	13.4
161.02365	0.4
166.09811	2.0
167.04568	3.5
167.08188	2.1
167.10641	0.4
171.07788	0.8
177.03316	5.1
179.04601	11.4
180.04828	0.7
181.06120	1.1
184.10880	0.7
185.05695	2.0
191.05551	1.4
192.07780	0.9
192.57710	0.5
197.05634	1.7
198.08800	1.0
210.08853	10.1
213.03267	0.5
228.09799	0.7
231.04384	0.5
233.42773	0.4
236.07175	0.4
242.07832	0.9
254.07860	14.3
255.08159	0.5
260.09171	0.6
272.08939	27.7
273.09302	0.9
288.06644	9.4
289.06882	0.6
291.20016	0.5
306.07721	100.0
307.08020	5.8
307.22913	2.5
335.22391	0.7
351.21872	4.1
438.81830	0.5
469.23642	0.7
503.19952	0.4
546.58099	0.5
580.27252	0.7
598.28143	13.2
599.29553	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	597.315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16714	0.7
55.01771	2.3
57.03336	2.2
58.00489	0.9
58.87943	0.7
59.01266	54.3
61.98719	6.0
64.26556	0.8
66.94101	1.0
71.01273	30.7
72.99187	2.3
73.02840	6.1
75.00759	1.4
83.01283	3.6
85.02851	15.3
87.00774	3.2
89.02333	17.3
93.03339	1.9
95.01295	2.4
96.95949	1.3
99.00793	3.4
101.02355	22.7
101.03016	1.6
108.02087	1.0
111.00790	1.0
113.02354	13.9
119.03422	7.0
119.04970	1.0
121.02876	1.1
129.01881	1.0
131.03423	1.1
134.03667	2.0
135.04428	5.0
143.03447	2.3
145.02907	1.6
146.03690	3.8
147.04410	1.6
149.04527	0.9
155.03383	1.0
159.02902	1.7
161.02377	1.3
161.04509	5.8
161.05916	1.6
162.03157	10.3
163.03674	0.8
164.04718	2.4
165.05502	2.8
166.02661	1.0
173.04478	1.4
177.05533	10.5
178.05907	0.9
179.05566	5.6
179.07111	7.0
181.05042	1.2
191.05626	6.2
195.06612	1.3
197.04512	1.3
209.08214	1.4
210.66734	0.9
276.58594	0.8
327.12338	1.9
357.11954	1.8
375.14462	1.2
375.24051	3.2
399.14447	1.2
514.68085	1.0
537.29291	100.0
538.29675	18.7
553.26715	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	597.3055
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
58.03253	0.7
58.74092	0.8
59.01260	1.7
61.35543	0.7
61.98706	0.8
64.76835	0.9
78.95795	66.4
95.46314	1.0
96.96868	12.6
97.12587	0.9
138.25980	0.8
150.97900	0.9
152.99527	91.3
153.99867	0.8
171.00581	2.3
218.08286	0.7
220.82346	0.8
223.00139	9.9
226.38837	0.7
241.01216	22.9
246.88310	0.8
259.02429	1.1
281.24915	63.7
282.25165	6.2
315.04968	14.2
333.06104	1.2
597.30585	100.0
598.30969	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	597.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.2
59.01265	100.0
60.01601	1.1
61.28445	0.2
61.98724	0.3
69.03327	0.4
69.34981	1.5
71.01272	6.4
72.99200	0.4
73.02837	2.9
75.00786	0.2
83.01306	0.8
85.02849	2.4
87.00787	1.0
88.49860	0.2
89.02346	2.7
91.25986	0.2
93.03362	0.4
95.01308	0.7
96.95911	1.0
97.02877	0.6
98.95539	0.2
99.00779	0.4
101.02348	3.2
113.02356	6.4
117.01863	0.2
117.03362	0.3
119.03448	0.8
119.04933	1.1
121.02865	0.4
129.01831	0.2
131.03442	0.3
132.02129	0.3
133.02948	0.7
134.03694	0.5
134.07846	0.2
135.04482	0.6
137.02394	0.5
143.03453	0.4
145.02866	1.4
148.01643	0.4
149.04610	0.2
149.06108	0.4
153.05536	0.2
160.01649	0.8
161.02449	0.7
161.04514	3.2
162.03214	0.3
162.87877	0.2
163.03975	1.4
165.09128	0.2
173.04523	0.4
175.04012	0.6
177.01854	0.2
179.03561	0.4
179.05690	0.2
191.05554	1.5
192.05893	0.3
193.05052	0.5
199.04030	0.2
201.01901	0.3
231.03113	0.3
243.02994	0.2
254.73416	0.2
268.34894	0.2
271.02496	1.1
272.03177	0.2
299.01996	2.4
300.02661	0.3
315.19891	0.5
333.20660	2.0
365.08994	0.2
375.21805	0.2
386.04019	0.2
477.25034	10.0
478.25317	2.2
495.26123	1.8
496.26773	0.4
537.27136	7.0
538.27454	1.0
597.13123	0.5
597.29095	1.1
598.13055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.2
57.03321	0.3
58.00462	0.1
59.00998	0.1
59.01271	2.0
61.98713	0.5
69.02123	0.1
69.03341	0.3
69.12630	0.1
69.31235	0.7
69.31664	0.4
70.36264	0.1
71.01274	3.8
71.01671	0.2
72.99210	0.6
73.02839	1.5
75.00761	0.2
82.95315	0.1
83.01297	0.6
85.02843	2.3
87.00768	0.4
89.02341	0.5
93.03361	0.2
95.01285	0.3
96.95908	0.1
97.02847	0.3
98.20531	0.2
99.00780	0.8
101.02351	2.6
109.02881	0.1
111.00765	0.3
111.04404	0.1
112.01581	0.2
113.02357	2.6
115.03924	0.1
119.04939	0.2
122.42682	0.1
125.02333	0.3
129.01848	0.2
132.50151	0.1
133.02888	0.2
135.04439	0.3
137.02370	0.1
143.03421	0.3
155.03458	0.1
158.92368	0.1
159.02943	0.3
161.02342	0.3
161.04495	1.7
163.03928	0.2
165.12732	0.2
166.59833	0.1
168.82794	0.1
171.56915	0.1
173.04491	0.2
176.01137	0.1
177.01886	0.8
177.12737	0.2
178.02231	0.1
179.03485	0.2
180.90891	0.1
183.13878	12.2
184.14218	0.6
188.33519	0.1
191.05591	0.4
195.13884	10.7
196.14233	0.7
203.07089	0.1
211.13379	0.5
213.14955	100.0
214.15295	6.1
249.01085	0.1
269.10345	2.2
270.10593	0.2
279.14917	0.1
311.11481	0.3
383.13495	1.9
384.13904	0.1
401.14612	14.5
402.14957	1.4
402.19653	0.2
420.67056	0.1
500.09766	0.2
514.75415	0.1
597.30139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.8
57.03339	0.7
59.01268	100.0
60.01608	1.2
61.98728	0.8
67.33963	0.3
69.03356	0.7
70.52316	0.6
70.52682	0.5
71.01273	10.0
72.99200	0.8
73.02844	3.3
75.00774	1.1
78.95811	0.3
83.01286	1.8
85.02847	4.8
87.00773	1.0
87.46867	0.2
89.02351	1.9
89.10529	0.3
93.03381	0.8
95.01304	1.0
96.95944	1.1
97.02855	5.8
99.00811	1.0
101.02351	6.5
101.03008	0.4
105.30092	0.2
107.70116	0.3
109.02895	0.5
109.48431	0.3
111.00814	0.3
111.04440	0.5
113.02361	5.1
113.03067	0.4
113.92374	0.3
119.03448	0.8
119.04950	1.4
119.64845	0.2
121.02902	0.3
125.02406	0.9
134.03662	0.4
135.04489	0.5
136.04857	0.3
137.02472	0.3
138.03368	0.3
143.03455	1.3
143.99992	0.2
145.02943	0.4
157.16504	0.2
159.02969	0.4
161.02397	0.5
161.04527	2.0
163.03986	1.1
165.09222	1.0
173.04576	1.0
173.05956	0.3
177.01813	0.6
189.09204	0.4
191.05595	2.1
191.10785	1.2
203.05559	0.3
209.11879	0.3
211.07704	0.3
289.90695	0.3
297.18799	0.3
303.19611	0.4
315.19742	3.1
330.18100	0.3
331.18738	0.3
333.20792	14.8
334.21091	1.7
347.19022	0.4
375.21890	0.4
429.23096	0.8
459.23785	0.5
468.39636	0.3
477.25064	31.5
478.25473	3.8
495.26169	10.2
496.26596	0.9
537.27203	8.2
538.27527	1.2
597.31683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90385	0.3
55.01772	0.6
57.03339	1.1
59.01266	100.0
60.01604	1.1
61.98727	1.1
66.08077	0.3
69.03352	0.9
70.17188	0.3
71.01271	7.6
71.57670	0.6
71.58030	0.3
72.99205	0.5
73.02833	2.6
75.00779	1.4
78.95824	0.5
80.14714	0.3
81.03370	0.4
82.78957	0.3
83.01286	2.8
83.04936	0.5
84.56567	0.3
85.02853	4.7
87.00768	2.2
89.02332	2.1
93.03352	2.7
95.01297	0.8
96.95934	1.6
97.02880	1.3
98.95507	0.6
99.00784	0.9
99.92538	0.3
101.02342	5.8
102.01876	0.3
107.04935	0.6
108.02096	0.3
109.02861	1.0
111.00804	1.0
111.04444	0.9
113.02361	5.4
116.92756	1.0
117.03387	7.3
119.03568	0.4
119.04945	9.7
120.05307	0.8
121.02889	1.0
125.02353	0.5
129.01874	1.0
131.04926	0.4
132.02106	1.2
133.02881	19.0
134.03778	1.7
135.04451	20.3
136.04776	1.3
137.02368	1.6
139.03961	0.6
143.03493	0.5
143.04977	0.5
145.02895	17.7
146.03244	1.1
147.04437	2.6
147.11794	0.5
148.44316	0.3
150.03192	0.3
151.03958	0.7
159.03206	0.4
159.04419	1.6
161.02394	45.7
162.02734	2.8
163.03955	8.8
164.04311	0.7
166.02657	0.3
173.04532	1.3
174.03212	0.4
175.04015	0.4
177.05521	0.4
178.02722	0.8
179.03464	25.3
180.03809	1.7
183.02931	0.6
187.03996	0.6
188.08383	2.3
189.09102	0.6
191.05623	3.2
195.06557	0.4
201.03983	0.5
201.09163	0.4
203.03493	0.7
203.07173	0.4
205.05031	0.5
205.08681	0.4
206.22635	0.3
211.07684	1.2
213.09259	0.5
215.07152	1.6
217.04886	0.3
231.06651	0.4
233.04620	0.3
239.07332	0.3
241.05098	0.7
243.05125	0.8
249.15010	1.1
257.08261	1.4
265.08856	0.3
285.07767	0.5
315.19550	0.4
329.06787	0.9
329.17609	0.7
330.17932	0.5
331.19113	1.7
333.17328	0.4
333.20740	1.6
341.05170	0.4
347.07657	0.7
349.20096	0.7
357.13666	0.6
365.08957	0.4
387.14478	0.9
393.19250	5.4
394.19543	0.8
405.14502	0.2
405.19269	6.8
405.24835	0.4
406.19241	0.7
411.20157	0.9
421.12967	0.7
423.20459	1.7
433.26273	1.6
449.12524	0.7
451.27127	1.0
453.21356	1.9
459.23984	12.6
460.24509	1.7
465.21231	1.7
477.25046	15.6
478.25562	2.3
493.11462	1.3
493.28156	1.0
494.11758	0.4
495.25989	2.7
496.26163	0.7
511.12344	0.7
519.26184	2.2
537.27112	8.1
538.27570	1.2
553.13617	14.7
554.13983	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	597.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.3
59.01267	100.0
59.16315	0.2
60.01602	0.9
61.98723	0.7
69.03371	0.2
70.37449	0.8
71.01278	2.6
73.02838	1.0
73.76907	0.2
75.00768	0.3
83.01286	0.6
85.02850	1.3
87.00769	0.3
88.98714	0.2
89.02345	0.7
92.29318	0.1
93.03352	0.9
95.01287	0.2
96.95935	0.8
97.02853	0.4
97.06492	0.2
99.00780	0.9
101.02338	1.8
101.29284	0.2
109.02866	0.3
111.00790	0.2
113.02382	1.2
119.03456	0.2
119.04950	0.5
130.66768	0.2
133.02940	0.3
134.03743	0.2
135.04443	0.4
137.02458	0.3
143.03484	0.2
145.02879	0.5
147.04518	0.2
155.03496	0.2
155.10786	0.2
159.04276	0.2
161.02386	0.5
161.04509	0.8
161.05830	0.2
163.03941	0.4
170.61908	0.2
173.04527	0.7
177.01947	0.3
179.03526	0.5
191.05582	1.5
191.07115	0.3
192.06049	0.3
193.05006	0.3
199.09784	0.2
200.39142	0.2
205.08655	0.2
205.16042	0.2
223.17075	0.2
229.08949	0.2
236.68317	0.2
299.01947	0.2
315.19733	1.1
331.19254	1.1
331.97791	0.2
333.20752	1.6
341.05466	0.2
349.20404	0.7
355.18924	0.2
373.20389	0.2
375.21912	0.2
477.25098	4.0
478.25632	0.7
495.26120	3.0
496.26257	0.3
537.27063	4.0
538.27631	0.7
597.29498	0.7
598.30841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21548	0.3
58.00439	0.4
59.01265	100.0
60.01603	1.5
69.03349	1.1
69.85619	2.1
71.01273	8.7
71.04917	0.5
71.83808	0.4
73.02828	3.0
75.00760	0.4
83.01298	1.2
83.04900	0.4
83.47598	0.4
85.02850	3.4
87.00804	0.6
89.02351	1.5
95.01297	0.8
96.95924	1.0
97.02854	4.1
99.00805	0.8
101.02349	5.3
102.90493	0.3
109.02870	1.5
113.02358	4.7
114.32491	0.3
117.03400	0.6
119.04974	1.4
123.08088	0.6
125.02385	1.1
135.04489	0.8
143.03462	1.5
145.02910	2.0
161.02437	1.1
161.04539	2.1
161.75092	0.4
163.04022	1.4
165.09175	0.6
173.04552	0.3
178.11131	0.4
187.11151	0.4
191.05611	1.3
191.07187	1.0
191.10811	0.9
203.05663	0.6
205.08856	0.5
249.15079	0.9
263.16751	0.4
267.06787	0.3
276.44202	0.4
297.18750	0.7
299.02176	0.5
315.19614	2.2
329.17825	0.7
331.19217	3.6
332.19800	0.4
333.20795	23.2
334.21075	2.4
349.20380	1.1
375.21909	0.8
429.23059	0.5
459.23856	0.5
477.25037	27.2
478.25311	3.5
495.26138	9.0
496.26636	1.1
537.27118	7.4
538.27661	1.6
553.13849	0.5
553.26965	1.5
597.29126	0.5
610.16986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18764	0.3
59.01245	0.3
71.25650	0.4
72.29145	0.3
78.95795	51.4
80.88800	0.3
87.39262	0.3
96.96865	49.8
108.02073	0.4
114.78135	0.3
152.01080	0.6
165.05449	0.4
180.46254	0.3
199.60577	0.3
206.14238	0.3
234.49423	0.4
247.07526	1.3
249.09006	100.0
250.09341	5.4
306.54453	0.3
597.14453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80437	0.8
57.19355	0.9
58.21732	1.0
59.01263	13.7
62.08129	1.0
69.03355	1.4
69.59722	5.3
69.60129	1.6
71.01270	3.1
71.04901	8.4
73.02842	2.9
73.43969	0.8
78.95795	42.8
81.03371	0.9
83.04884	4.5
85.02835	4.6
85.31929	0.8
87.04410	3.6
93.03363	1.0
96.95944	7.4
96.96859	33.7
97.02853	19.6
101.02328	2.2
107.04951	1.8
109.02858	2.2
109.06496	8.5
111.04469	1.3
113.02315	1.1
121.06507	34.6
122.06865	1.7
123.08053	7.6
127.07579	5.3
133.06500	1.0
133.10132	1.1
149.09712	1.2
161.09656	2.6
163.03996	1.1
163.11163	1.3
165.05544	3.5
175.07608	1.3
175.11238	2.7
179.10707	1.2
191.05559	1.9
191.10719	1.1
199.11317	1.0
211.43513	0.9
213.12859	6.2
215.14473	3.6
217.12404	1.1
223.09825	2.4
229.12415	1.3
233.09492	44.9
234.09821	2.9
235.13362	1.9
245.09613	1.0
245.11887	1.8
249.08997	2.4
257.11887	2.0
257.19156	7.2
259.13461	15.3
260.13861	1.8
263.12930	2.8
283.17172	5.0
301.18164	24.2
302.18521	2.1
319.15869	1.5
319.19043	6.6
327.16064	10.2
345.17142	100.0
346.17490	12.9
363.18210	91.7
364.18600	12.9
392.78894	0.9
404.23053	0.9
419.47067	1.0
553.25275	4.3
597.12329	1.1
597.37067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09237	0.7
57.78676	0.7
59.01265	31.4
59.17914	0.6
61.98722	1.2
69.03341	1.6
69.35545	8.7
71.01267	11.0
71.04906	1.2
73.02840	6.9
74.74128	0.8
75.00765	1.7
83.01292	1.8
84.95013	1.6
85.02846	3.5
87.00792	1.6
88.98716	4.5
89.02326	2.3
93.03350	1.8
96.95911	2.3
97.02855	4.1
97.06456	1.2
98.20528	1.6
101.02344	7.3
109.02838	1.3
111.04411	1.4
113.02361	3.6
117.17541	0.8
119.03447	0.9
119.04962	3.1
123.08066	2.9
125.02364	1.6
127.07562	4.8
133.02844	2.0
134.03641	1.6
135.04459	2.3
137.02393	1.0
145.02872	2.7
147.04402	1.0
147.08118	1.5
155.03415	1.3
159.11708	1.8
160.01585	2.3
161.02382	4.5
161.04451	1.8
161.09631	1.5
163.03957	2.2
163.11229	2.9
171.08235	0.9
173.04495	1.5
175.03966	3.0
175.11237	1.4
179.03453	3.3
187.07578	0.8
189.05638	0.8
191.05557	3.8
191.07104	22.8
193.05052	2.1
201.09210	2.0
202.09750	0.9
203.05659	1.0
203.10704	3.0
205.08682	16.5
206.09305	2.4
207.10222	1.3
209.08144	0.9
211.07655	1.9
221.08191	2.5
229.08731	1.8
269.19305	1.2
287.20325	1.4
298.64713	0.9
311.20193	1.2
313.18103	3.1
329.21149	2.5
331.19223	100.0
332.19489	10.9
333.20908	1.9
345.20609	2.4
349.20288	28.6
350.20529	2.6
355.19235	1.2
363.21756	1.6
373.20270	23.0
374.20584	3.8
391.21304	5.2
415.21332	2.3
475.23563	1.3
477.24945	2.5
495.26215	1.3
537.27570	1.2
553.26367	2.7
566.33472	1.6
567.33325	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	597.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.2
59.01265	100.0
60.01601	1.1
71.01273	0.5
72.99190	0.2
73.02843	0.3
74.26494	0.2
78.95805	0.3
82.53247	0.2
83.01292	0.3
84.29001	0.2
85.02866	0.4
87.00784	0.4
89.02340	0.4
92.81147	0.2
93.03349	0.4
96.95892	1.1
98.19820	0.5
101.02361	0.6
105.03362	0.3
109.02872	0.4
113.02361	0.3
119.04951	0.8
132.02080	0.2
133.02879	2.0
134.03624	0.4
135.04454	1.9
137.02324	0.3
137.54587	0.2
142.28612	0.2
145.02869	0.4
151.03958	0.6
161.02388	9.7
161.04443	0.5
162.02782	1.0
163.03972	0.6
173.04544	0.3
176.04744	2.8
177.05452	0.3
179.03465	8.5
180.03792	0.5
183.10271	0.9
191.05583	0.8
191.07159	1.1
194.05817	8.3
195.06209	0.7
209.08182	32.9
210.08498	2.4
271.02411	0.5
285.00565	0.3
299.01926	1.0
300.02768	0.5
301.03354	0.3
302.03278	0.3
303.04184	0.2
331.19101	0.6
553.13654	0.5
553.22620	0.9
580.23389	0.2
597.13165	0.9
597.25922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36666	0.4
59.00995	0.6
59.01269	9.8
70.21870	1.0
70.22280	1.7
71.01292	3.5
72.43246	0.4
73.02834	4.0
74.28152	0.5
75.00747	0.7
83.01257	0.9
85.02829	1.0
87.00770	1.3
89.02354	0.8
93.03352	1.0
96.95928	0.8
97.02840	2.9
101.02373	2.1
109.02830	0.8
111.04415	0.5
113.02375	1.4
117.03381	3.2
119.04951	5.2
123.08085	1.5
127.07581	6.5
145.02902	8.6
147.08086	0.6
147.99971	0.4
161.09767	0.5
163.03978	4.7
165.05505	0.7
173.04543	0.4
189.12834	0.5
191.05634	1.2
191.07112	21.8
192.07449	1.3
194.89230	0.4
203.14342	0.6
205.08701	16.2
206.09235	1.9
207.10312	0.8
215.07288	0.5
221.08224	2.7
240.31165	0.4
269.19263	0.7
299.05460	0.4
313.18207	3.8
314.18655	0.4
329.07007	0.4
329.21371	0.8
331.19238	100.0
332.19598	10.6
349.20303	24.5
350.20535	3.1
355.19250	0.9
363.21951	1.3
373.20392	3.6
374.20709	0.5
391.21463	1.8
535.25873	0.9
553.13550	1.6
553.26764	6.4
554.27197	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	597.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13412	1.2
59.01266	69.1
69.03325	1.2
69.46056	5.7
69.46483	3.2
71.00896	1.5
71.01270	18.9
73.02839	23.9
83.01276	5.5
85.02842	4.1
89.02339	3.9
96.95897	1.5
97.02847	14.4
99.00783	1.8
101.02361	15.8
109.79837	1.0
113.02348	4.2
119.03413	1.8
119.04887	1.1
127.07574	26.9
128.07883	1.5
131.03400	1.2
139.62564	1.1
150.10237	1.0
161.02391	1.2
161.04550	1.6
165.05537	3.2
189.12901	2.2
191.07117	3.1
195.09477	1.0
198.98097	1.1
205.08641	4.7
207.10175	1.9
210.43196	1.0
221.15546	1.7
223.09624	1.7
225.11311	1.2
245.70930	1.0
246.36014	1.1
313.18167	14.2
314.18597	1.9
331.19211	29.0
332.19632	2.8
333.20761	2.2
349.20084	3.3
359.43454	1.2
475.23419	1.7
485.96280	1.1
493.24539	4.6
511.25638	6.6
535.18054	1.6
535.25653	19.9
536.26062	3.3
537.27106	3.2
553.26672	100.0
554.27008	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	597.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95678	0.8
57.03338	3.2
58.02861	0.9
58.67426	0.6
59.01266	100.0
60.01595	1.1
61.98728	1.1
69.03322	1.9
71.01276	7.0
71.04903	4.3
71.58345	0.8
72.99201	1.3
73.02834	1.5
77.35108	0.8
78.95806	1.2
81.03344	1.2
83.01276	0.9
83.04927	1.0
85.02864	2.8
87.00752	0.9
89.02361	1.9
93.03376	3.7
96.95924	12.3
96.96514	1.1
97.02856	14.4
97.06483	9.3
98.95509	1.0
101.02348	10.0
102.01906	2.3
107.04967	1.2
109.02882	2.7
111.04394	0.7
113.02356	5.7
121.02921	0.7
121.06518	15.9
121.07343	1.1
122.03680	2.1
123.08080	5.3
131.03322	0.7
131.08586	1.1
133.02908	1.8
133.06549	0.9
135.04475	2.9
137.02364	3.5
143.26338	0.7
145.02908	1.0
149.06010	6.7
149.09732	2.3
161.02405	5.1
161.04602	1.9
161.09671	1.0
163.04073	0.9
163.11307	0.9
173.04582	1.1
179.03499	1.3
179.05679	0.8
187.07687	2.0
189.09169	5.5
191.05571	5.2
191.10707	3.5
207.10228	0.9
219.10301	1.2
259.13470	13.0
269.19165	9.4
270.19760	1.0
271.02499	1.4
273.17218	1.4
277.14594	1.4
287.20273	1.1
299.02188	1.6
313.18167	53.9
314.18527	7.8
331.04758	0.9
331.19223	9.5
332.19788	1.2
349.20389	2.5
353.08731	1.0
357.82892	0.8
413.11169	1.3
475.24042	1.3
477.25067	8.7
493.24603	12.3
494.25064	2.8
511.25446	3.8
512.26648	1.0
537.27295	3.0
538.27917	0.8
553.27051	6.9
554.27386	1.6
597.09259	1.3
597.21863	1.1
597.30438	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72062	0.4
57.03341	0.6
59.01265	100.0
60.01592	0.9
61.98722	2.6
62.08547	0.5
69.03366	0.5
70.86536	0.6
70.86886	1.1
71.01269	7.7
72.99207	0.7
73.02828	4.3
75.00771	1.0
78.95814	0.6
83.01305	1.5
84.95024	0.8
85.02845	3.4
87.00777	1.1
88.98727	0.9
89.02350	1.7
93.03375	2.0
93.12379	0.4
94.14069	0.5
96.95921	2.0
97.02843	2.3
99.00809	1.6
101.02359	5.1
109.02888	0.8
111.04451	0.8
113.02326	2.5
119.03442	0.6
119.04967	1.2
120.99631	0.6
121.02863	0.7
123.00774	0.6
125.02416	1.0
125.09681	0.5
126.64417	0.5
127.07590	3.9
133.02898	1.2
134.03683	1.1
135.04483	1.8
137.02437	0.8
140.19978	0.4
143.03484	1.1
145.02885	1.6
147.04472	0.5
149.04486	0.6
155.03523	1.3
158.78311	0.6
160.01654	1.6
161.02419	2.1
161.04529	1.4
161.09737	0.8
163.04005	1.6
163.11295	1.5
173.04561	2.1
175.04027	1.2
177.01904	0.9
179.03485	1.9
191.05608	5.5
191.07176	10.6
192.05919	0.6
192.07512	1.0
193.05106	1.4
195.08174	0.8
201.09300	1.8
202.09853	0.7
203.05714	0.6
203.10829	2.0
204.11516	0.6
205.08690	7.0
206.09331	0.8
215.07219	0.8
221.08267	1.0
229.08836	1.3
269.19272	0.6
287.20474	1.4
305.21301	1.0
313.18231	1.5
315.19656	0.7
329.17609	0.6
329.21378	1.9
331.19223	48.5
332.19562	6.6
333.20920	1.6
341.05405	0.7
345.20929	1.7
347.18643	0.8
348.19174	0.7
349.20258	18.2
349.24289	0.9
350.20679	1.6
351.08014	0.5
355.19165	1.0
357.21164	0.5
363.21805	1.0
373.20285	11.2
373.25220	0.6
374.20816	1.5
385.20413	0.7
391.21384	2.9
397.21182	0.6
459.24438	0.8
477.24933	4.4
495.26352	2.1
537.26929	4.0
538.28082	0.6
567.15228	0.5
597.30182	0.7
612.69916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90970	1.2
59.00993	1.9
59.01268	21.1
69.82691	7.5
71.01267	7.2
73.02832	6.4
83.01295	2.8
85.02867	1.9
89.02345	2.5
93.03359	1.6
96.76590	1.5
97.02878	4.7
101.02351	4.1
111.04433	1.5
121.02836	1.4
127.07571	9.6
135.04431	3.1
161.09679	2.6
163.11264	3.5
173.04535	2.4
177.01952	1.9
181.23006	1.3
191.05592	3.3
191.07118	24.1
192.07451	2.2
201.09290	2.5
203.10876	1.8
205.08678	17.6
207.10315	1.9
221.08261	2.1
231.10133	1.6
269.19165	2.6
291.67465	1.5
313.18408	3.0
331.19235	100.0
332.19681	11.0
349.20276	42.0
350.20663	4.7
363.21988	2.3
373.20306	8.9
391.21365	2.8
473.65500	1.6
597.22772	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	597.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	1.1
58.27962	0.7
59.01265	100.0
60.01600	0.8
63.44695	0.5
69.03346	1.7
69.97164	3.3
71.01270	39.2
71.04919	1.1
72.02071	0.6
72.99200	1.1
73.02835	56.7
74.03159	0.8
74.55096	0.6
79.24090	0.6
81.03360	1.2
83.01279	16.0
85.02839	3.6
87.00767	1.0
89.02338	7.8
90.88014	0.6
95.01323	1.8
97.02869	1.9
97.06491	25.5
98.06860	1.5
99.00816	0.8
101.02347	47.8
102.02730	1.3
109.02875	0.7
109.06512	1.7
112.61123	0.6
113.02362	14.2
117.01884	0.7
118.96031	0.6
119.03443	3.4
125.02393	1.6
125.09668	0.6
131.03410	4.4
133.02904	1.0
135.04398	0.6
143.03418	4.2
149.04501	6.9
155.03479	1.6
161.02432	2.1
161.04477	12.5
163.11272	0.8
179.03625	0.7
182.72704	0.6
203.05592	1.3
217.76242	0.6
221.06725	2.1
271.17157	1.4
331.19223	18.2
331.23059	1.1
332.19589	3.1
349.20224	7.6
351.53232	0.6
353.97150	0.6
553.22662	0.9
597.32733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.7
58.38879	0.5
59.01265	28.1
61.98717	0.8
69.03323	0.6
71.01270	3.1
71.04919	1.2
71.55621	1.0
73.02829	1.8
74.71979	0.5
83.01257	0.7
85.02834	1.0
87.00750	0.6
89.02341	1.1
93.03369	1.9
96.95912	10.5
97.02843	3.5
97.06487	2.1
101.02329	2.6
102.01871	0.6
109.02866	1.3
113.02357	2.1
117.03431	0.9
121.06516	4.2
123.04404	0.6
123.08138	0.9
127.03954	0.8
132.02095	1.8
133.02881	33.4
134.03223	1.0
135.04460	16.1
136.04776	1.4
137.02397	2.6
145.02838	1.0
149.06007	1.9
155.03470	0.7
159.04376	0.6
161.02391	100.0
162.02757	6.1
163.03915	0.7
173.04510	1.5
179.03456	9.3
187.07549	0.8
189.09186	1.3
191.05603	4.3
191.10966	0.6
197.84874	0.6
249.01788	0.6
259.13467	2.3
269.19229	2.3
271.02521	0.8
273.17123	0.9
298.35532	0.5
299.01880	0.9
300.02933	0.6
313.18176	13.6
314.18375	0.8
331.04758	1.5
331.19220	2.6
349.19989	0.8
353.08978	0.9
406.10904	0.6
413.10953	0.9
434.02670	0.9
434.60855	0.7
435.03345	0.7
477.25082	1.4
493.24838	2.8
511.22116	2.0
553.22980	60.0
554.23248	8.3
597.08862	1.2
597.22345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	54.3
63.97549	0.7
65.16220	0.7
71.01267	2.0
71.11108	0.7
72.99200	1.0
73.02830	0.8
73.70532	0.7
75.00759	2.3
79.14877	0.7
85.02842	0.9
87.00780	0.9
89.02348	1.0
93.03365	3.7
96.95918	1.2
98.35136	0.9
101.02351	1.1
119.04951	1.9
121.02882	4.7
122.03648	1.6
128.00439	0.8
136.01570	0.9
137.02402	1.5
146.03696	6.8
146.39238	0.7
147.04269	1.0
149.02394	36.0
150.03177	27.3
151.03564	1.1
152.01082	1.4
161.06038	2.2
163.03961	1.9
164.04755	15.7
165.05528	46.4
166.02626	0.7
166.05862	1.5
173.04510	1.5
179.07115	16.6
180.04253	2.8
180.07457	1.0
181.04851	1.2
191.05614	9.3
192.06059	0.8
195.06615	47.6
196.06984	2.3
278.96686	0.8
280.07452	1.0
283.09717	1.0
297.07681	1.1
312.10129	23.2
313.10455	2.0
327.12454	100.0
328.12769	11.2
337.09433	3.2
375.14578	33.5
376.14941	4.1
597.16193	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	597.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60411	0.2
51.62674	0.2
55.01770	0.6
57.03328	0.6
58.00480	0.6
59.01266	100.0
60.01602	0.8
68.32606	0.2
69.03355	0.5
71.01273	12.8
71.04936	0.6
71.59608	0.3
72.99199	0.4
73.02843	5.0
83.01280	1.9
83.04935	0.3
85.02842	4.5
87.00782	1.4
89.02335	4.2
90.80563	0.2
93.03353	0.3
95.01314	1.3
96.95932	0.8
97.02851	2.9
99.00785	0.9
101.02352	9.5
105.03396	0.7
107.04991	0.2
109.02856	0.6
109.06414	0.2
111.04443	0.3
113.02361	10.9
117.03363	0.6
119.03419	1.3
119.69569	0.2
121.02916	0.2
123.08067	0.7
125.02393	1.0
127.07571	0.6
127.44330	0.2
131.03436	0.6
132.02101	2.0
133.02885	30.8
134.03580	1.0
135.04446	12.8
136.04738	0.4
137.02396	0.6
143.03447	2.5
143.63606	0.2
147.04474	0.3
149.04523	0.3
159.04471	0.4
161.02396	78.6
161.04361	8.4
162.02737	3.6
163.04102	0.3
165.09288	0.2
178.02608	0.3
179.03462	8.3
179.05467	0.4
180.03821	0.5
187.13490	0.3
187.56702	0.2
188.68416	0.3
191.05548	0.6
191.10704	0.5
203.03508	0.4
203.05525	0.3
255.77922	0.2
287.20334	0.2
289.07419	0.3
305.21271	1.4
315.19788	2.5
321.11710	0.2
331.19373	0.5
333.20764	10.4
334.21112	0.6
349.20306	2.0
357.20563	0.3
375.21661	0.2
389.51633	0.2
405.03210	0.2
429.22644	0.3
435.22836	0.3
477.25043	12.4
478.25192	1.9
495.26132	8.8
496.26364	1.0
511.22034	1.5
537.27209	10.1
538.27576	1.0
553.23010	46.0
554.23334	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	597.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.7
58.38879	0.5
59.01265	28.1
61.98717	0.8
69.03323	0.6
71.01270	3.1
71.04919	1.2
71.55621	1.0
73.02829	1.8
74.71979	0.5
83.01257	0.7
85.02834	1.0
87.00750	0.6
89.02341	1.1
93.03369	1.9
96.95912	10.5
97.02843	3.5
97.06487	2.1
101.02329	2.6
102.01871	0.6
109.02866	1.3
113.02357	2.1
117.03431	0.9
121.06516	4.2
123.04404	0.6
123.08138	0.9
127.03954	0.8
132.02095	1.8
133.02881	33.4
134.03223	1.0
135.04460	16.1
136.04776	1.4
137.02397	2.6
145.02838	1.0
149.06007	1.9
155.03470	0.7
159.04376	0.6
161.02391	100.0
162.02757	6.1
163.03915	0.7
173.04510	1.5
179.03456	9.3
187.07549	0.8
189.09186	1.3
191.05603	4.3
191.10966	0.6
197.84874	0.6
249.01788	0.6
259.13467	2.3
269.19229	2.3
271.02521	0.8
273.17123	0.9
298.35532	0.5
299.01880	0.9
300.02933	0.6
313.18176	13.6
314.18375	0.8
331.04758	1.5
331.19220	2.6
349.19989	0.8
353.08978	0.9
406.10904	0.6
413.10953	0.9
434.02670	0.9
434.60855	0.7
435.03345	0.7
477.25082	1.4
493.24838	2.8
511.22116	2.0
553.22980	60.0
554.23248	8.3
597.08862	1.2
597.22345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.6
59.01265	2.8
61.37308	0.4
61.98731	0.4
65.00216	0.8
69.03358	0.6
71.01273	4.0
72.99204	1.5
73.02835	1.4
83.01280	1.0
85.02827	2.4
86.03162	0.5
87.00749	0.6
89.02346	1.9
91.01798	4.2
93.15981	0.5
95.01295	1.5
96.95947	0.6
97.02874	1.0
98.19807	1.4
99.00758	1.3
101.02338	2.2
108.02081	53.0
109.02884	18.1
110.03168	0.6
111.00810	0.6
113.02338	2.0
119.03448	0.4
121.02860	1.5
123.00806	1.3
123.03536	0.7
123.04440	12.7
125.02370	0.7
129.02065	0.4
133.02898	0.5
134.03629	0.6
135.00847	0.6
135.04410	1.4
147.04468	0.5
147.99954	0.5
149.02415	0.5
150.03265	0.6
151.00331	0.9
151.03951	0.9
152.01097	100.0
153.01889	21.7
154.02287	0.7
161.02342	0.8
161.04482	0.9
162.03194	1.5
163.03992	4.6
165.05502	1.0
166.02692	1.5
167.03452	22.4
168.03746	0.8
177.01874	1.1
177.05501	1.7
178.05905	1.2
179.03481	0.9
181.05067	3.2
191.05576	1.4
195.06665	0.5
207.02925	0.7
239.05389	0.5
297.06482	0.6
311.58820	0.4
315.07254	1.5
347.47119	0.4
387.14633	1.0
429.10486	17.3
430.10892	1.6
447.11569	7.7
448.11795	0.8
597.14752	98.6
598.15118	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	597.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49189	0.3
58.87983	0.2
59.01265	31.6
59.94661	0.3
60.01584	0.3
61.06353	0.3
61.98723	0.4
62.98940	0.3
71.01269	3.2
73.02834	1.7
83.01280	0.5
85.02840	0.7
87.00788	0.4
89.02348	0.9
93.03343	0.3
96.95908	0.9
101.02332	1.9
105.03362	0.5
107.04989	0.3
108.27061	0.3
109.02905	0.3
113.02360	1.0
117.03372	0.6
121.02824	0.3
132.02110	2.1
133.02884	33.6
134.03601	1.4
135.04453	14.9
136.04839	0.3
137.02373	0.4
139.03874	0.5
141.96231	0.3
148.49588	0.3
150.03127	0.4
159.04401	0.7
161.02390	100.0
162.02737	4.2
179.03459	10.6
180.03839	0.6
187.07642	1.4
187.13336	0.4
191.05548	1.0
191.07220	0.3
203.03488	0.6
207.90468	0.3
315.19888	0.4
331.19211	1.1
333.20850	0.5
342.31387	0.3
345.75497	0.3
348.08389	0.3
349.20358	0.6
365.08847	2.2
379.55716	0.3
383.08951	0.3
477.24896	1.3
495.26056	0.6
511.21957	2.1
537.27216	1.1
553.23041	53.5
554.23346	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	597.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09381	0.4
57.03333	1.5
57.86661	0.5
58.00473	0.7
59.01266	82.2
61.78509	0.5
61.98718	1.9
67.01762	0.5
68.99718	0.8
69.03347	1.7
71.01270	8.0
71.57265	0.7
73.02835	1.8
75.00773	0.6
78.95808	2.1
79.46101	0.5
81.03355	1.2
83.01285	2.0
83.04911	0.8
85.02843	4.8
87.00777	13.3
88.98710	0.6
89.02352	1.9
93.03358	5.0
93.92563	0.5
95.01311	1.1
95.04951	1.0
96.95910	11.8
96.96867	0.8
97.02316	0.5
97.02820	2.5
99.00787	0.9
99.04495	0.8
101.02343	3.5
109.02891	1.5
111.00814	1.8
111.04453	1.9
113.02360	3.7
115.05481	2.5
117.03378	30.4
118.03683	1.0
119.04946	56.5
120.05293	2.3
121.02864	3.5
123.00818	0.6
123.04436	1.2
125.02370	0.8
129.01860	7.0
133.02919	1.7
133.06534	0.8
134.03668	0.9
135.04494	2.7
137.02377	2.2
139.03967	0.8
143.04964	44.0
144.05255	2.5
145.02890	100.0
146.03223	5.0
147.04379	0.8
152.01102	0.7
160.01611	0.7
161.02380	4.0
161.04570	1.5
161.06039	5.9
162.03093	0.6
163.03957	46.5
163.91702	0.5
163.93272	0.5
164.04294	2.4
165.01917	0.9
173.04573	1.2
173.05928	0.9
175.03943	0.6
179.03429	2.6
181.04875	0.7
183.02977	2.0
185.06067	0.5
187.03976	13.5
187.07513	0.7
191.05591	8.7
192.05893	0.8
199.07504	0.8
201.04010	8.3
203.07114	1.1
205.05025	1.2
211.07657	0.6
213.09355	0.9
217.04973	0.8
219.05109	4.3
229.05032	0.6
235.06180	0.7
241.08699	1.4
257.08310	0.9
267.06787	0.7
271.02478	1.4
277.07236	0.9
285.07642	1.5
299.01968	1.7
300.02765	0.9
301.03458	0.6
315.19614	1.2
329.06699	3.3
331.17715	0.7
333.20825	4.6
347.07861	2.8
353.08688	1.0
365.08847	38.0
366.09235	3.9
373.19189	0.5
389.08841	2.5
407.09698	1.2
421.12988	1.9
433.07425	0.7
477.24997	10.1
478.25381	0.6
493.11444	1.4
495.26160	1.6
537.27142	4.2
553.13702	15.3
553.26459	2.6
554.14148	2.6
597.12036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09381	0.4
57.03333	1.5
57.86661	0.5
58.00473	0.7
59.01266	82.2
61.78509	0.5
61.98718	1.9
67.01762	0.5
68.99718	0.8
69.03347	1.7
71.01270	8.0
71.57265	0.7
73.02835	1.8
75.00773	0.6
78.95808	2.1
79.46101	0.5
81.03355	1.2
83.01285	2.0
83.04911	0.8
85.02843	4.8
87.00777	13.3
88.98710	0.6
89.02352	1.9
93.03358	5.0
93.92563	0.5
95.01311	1.1
95.04951	1.0
96.95910	11.8
96.96867	0.8
97.02316	0.5
97.02820	2.5
99.00787	0.9
99.04495	0.8
101.02343	3.5
109.02891	1.5
111.00814	1.8
111.04453	1.9
113.02360	3.7
115.05481	2.5
117.03378	30.4
118.03683	1.0
119.04946	56.5
120.05293	2.3
121.02864	3.5
123.00818	0.6
123.04436	1.2
125.02370	0.8
129.01860	7.0
133.02919	1.7
133.06534	0.8
134.03668	0.9
135.04494	2.7
137.02377	2.2
139.03967	0.8
143.04964	44.0
144.05255	2.5
145.02890	100.0
146.03223	5.0
147.04379	0.8
152.01102	0.7
160.01611	0.7
161.02380	4.0
161.04570	1.5
161.06039	5.9
162.03093	0.6
163.03957	46.5
163.91702	0.5
163.93272	0.5
164.04294	2.4
165.01917	0.9
173.04573	1.2
173.05928	0.9
175.03943	0.6
179.03429	2.6
181.04875	0.7
183.02977	2.0
185.06067	0.5
187.03976	13.5
187.07513	0.7
191.05591	8.7
192.05893	0.8
199.07504	0.8
201.04010	8.3
203.07114	1.1
205.05025	1.2
211.07657	0.6
213.09355	0.9
217.04973	0.8
219.05109	4.3
229.05032	0.6
235.06180	0.7
241.08699	1.4
257.08310	0.9
267.06787	0.7
271.02478	1.4
277.07236	0.9
285.07642	1.5
299.01968	1.7
300.02765	0.9
301.03458	0.6
315.19614	1.2
329.06699	3.3
331.17715	0.7
333.20825	4.6
347.07861	2.8
353.08688	1.0
365.08847	38.0
366.09235	3.9
373.19189	0.5
389.08841	2.5
407.09698	1.2
421.12988	1.9
433.07425	0.7
477.24997	10.1
478.25381	0.6
493.11444	1.4
495.26160	1.6
537.27142	4.2
553.13702	15.3
553.26459	2.6
554.14148	2.6
597.12036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19734	1.1
54.56747	1.0
57.20156	0.9
71.57958	1.9
74.26432	1.0
78.95795	100.0
93.44747	1.1
96.95908	3.7
96.96868	21.9
122.07395	1.0
133.12471	1.0
141.90434	1.2
161.92677	1.5
198.41330	1.3
241.01228	2.4
259.02271	14.8
268.33954	1.4
330.30222	1.2
584.56677	1.4
597.10883	49.9
598.11188	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	597.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
59.01268	6.9
61.94579	0.4
62.24782	0.4
69.03329	0.7
69.52494	3.1
83.01277	1.0
86.47351	0.4
87.00783	0.5
93.03374	1.2
95.04916	0.5
97.02859	0.5
105.03408	0.8
107.04965	0.6
109.02859	1.7
111.00788	1.5
121.02879	0.7
132.02110	2.1
133.02884	38.4
134.03780	3.2
135.04456	47.7
136.04771	2.3
137.02367	1.6
139.03961	0.9
147.04453	5.0
147.35962	0.4
157.17102	0.5
159.04480	3.3
161.02397	100.0
162.02756	4.4
177.05547	0.8
178.02715	0.9
179.03476	47.8
180.03839	2.3
187.07642	0.5
195.84795	0.5
201.05640	0.8
203.03572	1.1
215.07153	2.5
239.07249	0.6
243.05168	1.9
257.08246	1.6
272.97919	0.4
273.07861	0.5
301.07205	1.0
381.09808	0.5
390.67957	0.4
449.12448	1.2
493.11484	1.4
511.12628	1.6
530.14325	0.4
553.05164	1.0
553.13654	17.8
554.14014	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	595.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77849	0.4
59.01255	0.4
71.10781	1.1
78.95798	54.8
96.96866	9.7
99.57027	0.4
102.70397	0.4
115.47489	0.4
116.05068	0.3
150.97975	1.0
152.99539	83.7
153.99918	1.3
155.29889	0.4
171.00648	2.1
181.42915	0.4
185.99403	0.5
223.00162	9.3
241.01247	23.5
259.02344	1.8
261.22342	0.6
279.23380	58.9
280.23740	6.7
315.04962	11.6
316.05249	0.8
333.06003	1.2
364.68512	0.4
410.71353	0.4
426.93207	0.4
474.75089	0.4
510.51730	0.4
595.29077	100.0
596.29376	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	595.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25169	0.2
53.28236	0.2
59.01262	0.9
61.98719	0.5
62.96289	0.3
71.01267	0.6
71.58408	0.4
71.58771	0.4
78.95795	55.9
83.04920	0.3
93.03326	0.2
96.96862	9.3
99.04408	0.4
101.02321	0.3
150.97961	2.6
152.15173	0.2
152.99529	100.0
153.99870	1.7
161.02423	0.4
163.11343	0.2
171.00598	5.4
171.45476	0.2
173.04485	0.2
191.05620	0.5
209.11821	2.6
223.00119	0.4
227.12895	0.4
241.01241	1.1
279.23349	6.9
280.23776	0.7
292.98975	0.2
293.21332	0.3
295.22910	0.8
311.22330	0.7
315.04965	1.9
337.71164	0.2
394.51016	0.3
433.23703	25.1
434.24194	3.1
595.29028	22.4
596.29382	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	595.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.1
58.00478	2.7
59.01268	93.9
66.91670	0.8
71.01275	46.0
71.43875	0.9
72.99199	3.2
73.02837	1.3
75.00767	1.9
81.03374	0.9
83.01285	2.5
85.02843	11.7
87.00777	4.0
89.02342	56.2
93.03349	7.0
95.01299	2.2
96.95916	1.7
99.00726	1.1
101.02348	28.5
108.02093	2.3
111.04437	1.7
113.02364	18.4
119.03439	24.6
119.04855	4.4
121.02893	2.1
125.02395	1.1
131.03438	2.9
134.03656	1.4
135.04486	1.1
143.03439	4.7
149.04517	2.6
150.03105	1.1
152.01105	3.0
161.04527	5.4
162.03192	7.2
163.03934	3.7
165.01924	1.0
165.05568	1.9
171.98218	0.9
173.04539	6.5
174.04951	1.0
177.05545	16.2
179.05588	14.5
191.05598	16.7
192.05983	2.3
195.06535	1.7
211.07703	1.2
327.09027	1.5
337.09244	0.9
357.09811	1.1
507.63873	1.6
508.14224	2.0
535.27734	100.0
536.28113	14.1
595.13348	2.6
595.22620	3.6
608.26654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73777	0.8
55.54680	0.8
56.88404	1.0
57.03343	10.3
59.01255	4.1
69.03341	1.7
70.10133	0.9
70.18442	4.0
71.01267	3.9
78.95796	5.4
81.03370	1.0
83.04943	1.4
89.02334	3.5
97.06513	1.5
98.20563	1.0
99.04413	24.7
100.04739	1.0
101.02354	2.1
109.06502	17.8
111.08067	1.6
119.03406	1.0
121.06460	1.6
123.08083	1.3
135.04407	1.2
136.05200	1.9
149.09691	0.9
149.52542	0.8
151.11327	1.4
152.99530	2.8
161.02385	1.0
163.11235	4.3
179.10747	2.5
191.05592	2.2
205.15952	1.4
219.17531	3.9
231.17563	2.8
255.23399	1.2
261.22263	1.2
271.20770	2.7
279.22989	1.1
289.18555	2.0
289.21796	42.5
290.22110	3.7
327.26938	1.9
334.93140	1.0
371.25952	24.1
372.26340	3.3
409.81195	1.0
415.24982	100.0
416.25296	14.8
595.29181	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	595.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13797	0.4
59.01254	0.8
69.97611	2.0
71.01282	0.4
72.78603	0.4
78.95795	61.9
96.96864	12.0
98.20549	0.5
105.58298	0.4
127.88335	0.4
130.09326	0.4
140.24748	0.4
150.97963	1.2
152.99527	90.2
153.99864	0.8
171.00610	2.2
221.68390	0.4
222.98508	0.2
223.00131	10.2
241.01213	24.3
242.01582	0.7
259.02274	1.6
261.22150	0.4
279.23352	62.6
280.23706	6.7
315.01291	0.7
315.04938	13.3
316.05103	0.8
333.06024	1.2
496.03168	0.5
551.19287	0.9
595.29028	100.0
596.29370	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	595.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46973	0.4
53.92715	0.3
67.37236	0.5
69.60672	2.1
77.89727	0.3
78.95792	62.1
85.02793	0.3
96.96860	13.8
134.98468	0.6
150.97969	1.1
152.99525	69.0
153.99863	0.8
171.00612	1.8
223.00165	2.1
241.01208	25.6
242.01563	1.3
259.02341	0.5
279.23343	66.1
280.23700	7.3
315.04938	8.9
316.05338	0.6
415.22668	4.9
433.23599	2.9
595.29022	100.0
596.29340	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	595.2807
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
57.03315	0.4
59.01260	2.7
61.98722	1.2
63.96126	1.4
64.49940	0.4
69.03336	1.1
71.01272	7.3
73.02823	1.9
78.95790	0.9
78.98489	5.7
79.17315	0.4
79.95171	0.8
79.95625	11.7
80.96409	66.7
81.03333	0.9
85.02837	2.7
87.00771	2.6
87.63805	0.4
94.53450	0.5
94.97987	17.1
95.01305	0.5
96.95905	1.8
97.02850	1.6
99.00770	0.7
101.02361	2.5
104.93121	0.4
106.98002	2.8
122.97490	3.7
125.02367	3.1
133.02870	0.9
134.97507	4.2
136.99097	1.9
137.02370	0.5
148.99072	6.1
149.99454	0.4
150.97012	0.4
152.98576	6.2
157.40514	0.5
161.02373	1.3
164.98569	12.0
169.42876	0.4
179.03391	0.6
188.98575	0.5
191.05569	1.2
195.13869	1.0
200.35677	0.4
206.99712	2.5
225.00746	18.4
226.01035	0.6
277.21732	0.9
277.34778	0.5
293.49356	0.5
295.19470	0.5
295.22839	1.7
296.23297	0.5
299.04620	3.1
336.15829	0.5
483.19403	0.4
499.71738	0.5
595.28040	100.0
596.28430	18.0
616.41815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2904
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01265	0.4
71.59423	0.7
75.00776	0.5
78.95796	53.8
96.95918	0.7
96.96866	10.4
124.46876	0.3
150.97935	0.9
152.99530	87.9
153.99892	1.2
158.05817	0.3
171.00581	2.7
192.32837	0.4
222.98087	0.7
223.00136	9.2
241.01219	22.1
242.01526	0.5
259.02261	1.6
261.22134	0.6
279.23352	58.9
280.23679	6.5
315.04944	13.1
331.66534	0.4
333.06122	1.4
411.01349	0.4
488.79086	0.4
595.29047	100.0
596.19830	0.9
596.29425	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	595.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	50.4
62.31277	0.8
71.01272	8.6
72.92103	1.0
73.02836	10.3
75.00793	1.5
81.03379	1.0
83.01276	2.4
85.02853	2.1
89.02306	0.9
97.02860	7.6
97.06518	1.1
99.04424	2.5
101.02349	5.6
101.02921	0.9
113.02365	2.6
122.03694	2.0
125.02261	1.0
127.07553	3.1
161.04483	1.8
161.09686	1.4
189.12823	19.6
190.13319	1.1
191.07059	4.9
203.05583	2.3
203.14497	1.0
205.08679	14.7
205.12338	1.2
207.10313	2.2
229.08751	1.1
230.53041	1.6
269.19232	4.8
283.17151	2.0
311.20444	1.3
313.18170	100.0
314.18509	13.2
327.19684	1.2
331.19211	46.3
332.19427	5.4
337.18094	1.5
345.20792	2.9
355.19223	10.9
356.19440	1.8
373.20190	6.5
374.20825	1.8
595.25793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2777
Annotation	7-Deacetyltaxuspine L
Peak:m/z	Relative Intensity
55.01780	0.7
58.00495	0.4
59.01266	100.0
60.01612	0.9
61.98721	1.0
67.01797	0.3
71.01270	9.0
72.99210	0.5
73.02837	10.2
75.00777	0.6
75.69812	0.3
81.03344	0.4
83.01278	3.5
85.02837	2.7
87.00810	0.8
87.04411	0.3
89.02341	3.3
93.03368	1.8
95.01306	0.6
96.95924	0.7
97.02865	0.4
99.00790	0.8
101.02348	11.1
107.14991	0.3
108.12625	0.3
109.02871	0.3
111.04456	0.5
113.02354	6.0
119.03419	1.5
119.04947	0.7
125.02318	0.3
131.03450	0.8
134.03700	0.3
135.04433	0.3
143.03456	1.3
147.11684	0.3
149.04536	1.1
155.03511	0.4
161.02422	0.3
161.04492	4.2
163.04001	1.1
169.70753	0.3
173.04602	1.3
173.05867	0.3
187.07664	0.3
191.05544	2.7
191.06804	0.3
193.05182	0.3
203.05766	0.3
203.14442	0.6
205.08751	0.4
205.37846	0.3
221.06747	0.9
223.99719	0.3
262.52841	0.3
275.09329	0.4
313.18280	0.7
331.19238	13.4
332.19528	1.8
346.56711	0.3
475.23511	6.1
476.24042	0.9
493.24396	4.0
494.25339	0.5
535.25586	13.6
536.26105	2.9
545.20355	0.3
595.26617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	24.0
61.98721	6.0
62.27197	1.2
71.01271	7.4
71.04895	2.5
71.60954	1.6
72.15292	1.4
73.02840	5.6
75.00774	3.2
78.95802	2.6
82.95310	7.3
83.01312	1.8
83.02406	5.8
85.02862	5.5
87.00775	5.2
88.98692	2.0
93.03367	9.4
95.01289	12.4
96.95907	11.4
97.02858	3.0
97.06490	2.9
101.02338	3.4
108.02081	3.5
109.02891	4.2
111.04453	2.6
113.02386	4.3
119.04942	2.6
121.06494	1.5
123.08093	6.0
125.02355	2.2
135.04503	1.7
136.05162	1.9
137.02371	2.0
155.03490	2.0
163.03972	3.2
163.07655	1.6
165.12779	1.4
173.04518	8.1
178.02768	1.7
191.05585	18.8
193.05032	1.8
217.16011	4.8
259.13556	1.7
259.20731	5.3
260.21222	1.5
261.15021	6.6
281.19131	1.5
285.18765	2.7
299.20233	2.1
303.19769	4.3
315.19644	2.2
327.19696	20.0
329.17566	16.5
330.18091	1.7
347.18716	100.0
348.19180	11.5
357.20895	1.5
361.20303	33.9
362.20636	3.8
371.18759	41.7
372.19104	5.0
389.15363	2.1
389.19861	22.7
390.20038	2.5
401.19681	4.3
416.71115	1.4
475.33063	1.5
490.35504	1.8
491.34561	2.1
577.23138	1.9
595.31213	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62974	0.9
57.35889	0.9
59.01263	41.7
61.25353	0.9
61.98711	2.6
69.33751	9.1
71.01263	7.1
73.02831	4.3
74.41967	0.9
75.00763	1.2
77.39328	0.9
78.95782	1.4
80.96402	1.4
81.39043	1.0
82.95956	1.1
85.02840	4.9
89.02323	1.9
93.03373	1.5
96.95921	2.4
97.02847	10.1
101.02357	9.3
109.02861	1.3
113.02365	7.9
116.92736	1.6
119.04945	1.6
122.03658	2.1
123.04455	1.1
125.02384	1.5
127.07568	3.9
130.50914	1.0
133.02890	2.0
134.03592	1.3
135.04507	1.7
137.02402	1.0
143.03413	4.4
155.03470	1.0
158.30284	0.9
161.02348	6.3
161.04465	2.0
173.04474	1.6
179.03436	1.3
187.11182	1.0
189.12819	22.0
191.05576	1.7
191.07132	3.0
203.14389	1.3
205.08691	14.4
206.08989	1.4
207.10202	2.4
269.19183	5.0
270.19476	1.0
283.17001	2.8
311.20200	1.0
313.18164	100.0
314.18542	11.8
327.19839	1.9
331.19193	73.3
332.19498	7.1
345.20834	1.9
355.19272	5.7
373.20056	3.3
402.54892	1.0
595.26599	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	595.241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04478	2.6
59.01265	90.4
60.99191	8.0
61.98706	5.8
67.01775	6.8
68.99715	3.5
69.03336	4.7
70.87267	6.3
70.87589	4.0
71.01273	40.5
72.99197	9.1
73.02831	43.3
75.00751	6.4
78.95790	10.0
81.03300	2.7
83.01283	12.6
83.04912	3.6
85.02844	22.7
87.00771	13.9
87.04434	3.4
88.98707	18.4
89.02337	6.5
93.03354	40.1
94.53154	3.3
95.01236	3.5
96.95917	15.4
97.02851	9.5
99.00777	5.2
101.02354	33.7
109.02831	6.4
111.00720	3.1
111.04470	6.3
113.02365	14.3
119.04922	9.1
121.06485	4.6
125.02374	3.5
131.03387	5.3
133.02858	4.1
134.03685	6.9
143.03358	3.2
145.02893	4.4
147.04381	4.1
155.03464	6.1
161.04454	3.6
163.03922	11.9
169.21379	2.8
173.04520	31.7
175.07487	3.1
187.07634	6.3
189.09337	4.0
189.12743	5.2
191.05577	55.1
192.05946	4.9
197.13255	2.9
205.12427	2.8
214.06230	3.3
215.07133	5.5
229.08626	3.7
241.12392	5.3
243.13907	34.6
244.14034	3.1
245.62675	2.9
267.17523	6.0
275.09250	7.3
285.18637	24.6
285.42554	3.1
286.18912	4.2
299.20166	3.3
303.19766	5.5
311.16589	17.2
319.08133	4.4
329.13943	6.5
329.17657	92.7
330.17950	9.4
335.22427	3.3
343.19165	30.0
347.18713	100.0
348.19095	11.3
353.17664	5.8
371.14658	5.4
371.18710	18.1
389.19937	18.3
397.21869	3.0
545.20728	3.4
577.23041	17.2
578.23926	4.9
595.23389	6.1
595.31500	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	595.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19130	1.3
56.45805	1.1
59.01262	20.2
59.38879	1.4
61.98717	6.8
67.01788	1.8
69.03355	2.5
71.01272	9.9
71.04926	1.5
73.02836	4.8
75.00758	2.7
78.95800	1.4
81.48252	1.3
82.95286	7.4
83.01283	1.7
83.02404	5.1
83.04932	1.4
85.02849	3.1
87.00782	5.1
88.98703	2.6
93.03345	7.7
95.01284	10.5
95.04923	1.5
96.95919	10.3
96.96879	2.5
97.02853	3.4
97.06504	3.6
98.19822	2.4
99.04420	1.6
101.02346	4.5
108.02087	4.2
109.02890	1.8
111.04461	2.2
113.02339	2.8
115.03907	1.2
119.04987	2.0
121.06507	1.8
123.08088	3.6
134.03654	1.4
135.04523	2.6
145.02846	2.3
149.09647	1.4
155.03439	2.1
157.86064	1.3
161.06010	1.9
163.03932	3.0
165.12775	1.5
171.98880	1.3
173.04501	6.8
191.05589	18.5
192.06073	1.6
217.16101	6.6
229.73232	1.7
259.20703	4.7
261.15048	6.3
262.15295	1.6
269.19217	1.5
285.18765	2.5
292.54651	1.4
299.20300	2.8
301.18115	1.9
303.19562	2.9
326.42715	1.4
327.19702	15.6
328.20193	1.9
329.17599	12.2
345.17160	1.4
347.18701	100.0
348.19040	11.4
357.20926	1.7
361.20270	32.3
362.20740	4.1
371.18723	40.9
372.19104	4.4
389.15454	1.6
389.19879	21.5
390.20126	1.8
401.19812	2.5
548.85406	1.5
577.23462	2.4
595.31860	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18688	0.9
53.96764	0.8
57.00988	1.0
57.03342	1.1
59.01268	27.9
61.98715	8.6
69.03349	1.8
69.43923	9.7
70.80742	0.9
71.01276	10.8
72.99183	2.5
73.02833	7.4
73.56171	0.9
74.02370	5.4
75.00746	6.0
83.01283	2.2
85.02834	8.3
87.00774	4.2
88.98684	2.2
89.02341	2.6
93.03369	7.9
95.01299	1.1
96.95916	19.6
97.02856	21.6
97.04591	0.9
97.06483	1.7
98.19835	1.9
99.00775	2.0
101.02353	8.1
109.02863	3.2
109.06528	1.1
111.00793	1.7
111.04434	3.0
113.02374	4.6
115.00259	1.1
117.03380	1.1
119.03393	1.1
119.04939	4.8
123.04354	1.2
127.07533	4.5
129.01840	1.0
133.02837	1.2
134.03725	1.2
135.04439	1.2
137.02393	3.0
145.02881	2.5
152.01106	1.2
155.03403	2.6
161.02397	1.7
161.04489	1.7
161.09674	3.1
163.03987	4.7
164.04306	1.4
165.05496	2.8
171.13837	3.0
173.04506	14.8
175.11223	2.0
177.12802	4.5
179.03461	1.3
180.04248	1.2
187.07608	3.7
189.09123	1.4
191.05598	18.7
191.07144	4.1
193.03493	4.0
193.05095	1.3
195.06679	1.2
203.10722	1.5
205.08688	10.4
205.12340	32.7
206.12703	2.4
207.10220	2.1
219.13936	2.2
225.07832	1.3
227.03609	1.5
228.03833	1.4
229.08682	1.0
231.10330	1.4
235.04662	1.1
255.02957	1.7
256.03406	1.4
257.03854	1.5
257.08200	2.0
267.17557	1.6
275.09387	1.3
284.03217	1.4
285.04050	2.5
285.18677	2.1
286.04370	2.7
297.22894	1.0
299.16537	1.9
301.18057	1.3
303.19870	1.2
309.18658	2.4
311.16525	4.5
329.17654	100.0
330.17926	10.3
331.18970	1.7
337.09302	4.4
343.19016	1.2
347.18713	50.0
348.19049	5.9
353.17548	3.0
361.20364	3.0
371.18655	8.1
372.19077	1.2
379.08878	1.5
389.19812	3.6
390.56839	1.0
397.10065	2.3
449.14618	1.9
498.18024	1.1
522.89050	1.0
551.23505	1.7
563.21082	1.5
594.31116	2.5
595.13672	3.8
595.24103	1.4
595.31927	9.8
596.32324	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25362	0.6
57.03319	0.7
59.00993	1.1
59.01265	13.7
61.98703	1.7
66.79810	0.7
69.03322	0.9
70.44355	2.8
71.01265	5.8
71.04904	12.3
72.99179	0.9
73.02834	4.7
75.00774	1.2
81.03365	0.7
82.95329	0.7
83.01263	1.4
83.02442	0.7
83.04902	1.0
84.91444	0.9
85.02849	2.8
87.00771	1.5
89.02351	1.4
93.03357	2.7
96.95901	3.5
97.02843	11.5
101.01782	0.7
101.02330	4.4
101.78658	0.7
107.04945	1.0
109.02849	3.3
111.04444	1.7
113.02372	1.2
119.04934	1.6
121.06532	2.2
123.08073	40.2
124.08407	1.6
125.02379	0.8
127.07597	3.6
130.78741	0.8
131.03456	0.8
131.68562	0.8
133.02856	2.2
133.10150	1.1
134.03619	0.9
135.04422	2.6
137.02333	1.3
145.02904	1.8
147.08049	1.3
155.03436	1.4
158.96683	0.7
161.02400	7.3
161.09657	2.4
163.03940	2.9
165.05449	0.9
173.04509	3.2
175.07581	1.6
179.03487	1.6
179.07057	0.8
187.07590	1.5
188.34764	0.9
189.09193	10.3
191.05545	6.3
191.07118	21.8
192.07535	1.3
205.08682	21.6
219.13918	2.7
221.08235	2.1
227.03503	1.7
231.10301	0.9
245.11853	2.6
255.03098	2.7
256.03442	1.4
257.03574	1.8
257.08026	0.8
263.12958	2.6
275.09348	1.7
275.12711	0.9
284.03259	2.7
285.03864	4.7
285.18622	2.4
286.04367	4.3
287.04648	2.2
287.12943	5.4
287.16238	1.3
300.02853	0.9
303.19772	1.8
327.19748	2.5
329.17636	100.0
330.18002	12.3
337.09360	1.4
343.19083	1.4
347.18698	30.1
348.19046	3.9
353.17764	1.2
361.20145	2.5
371.18747	15.5
372.19110	1.6
389.19748	7.0
501.13205	0.8
595.13251	8.7
595.30695	1.1
596.14111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03334	0.7
57.52236	0.3
58.00487	0.7
59.01269	100.0
60.01597	0.8
61.98729	5.4
67.01785	0.6
69.44420	2.5
69.44838	1.1
71.01275	19.9
72.01624	0.5
72.99214	1.7
73.02847	4.0
75.00778	0.4
82.95345	0.5
83.01296	2.8
83.02412	1.5
84.01987	0.4
85.02853	5.5
87.00793	1.7
89.02344	16.5
90.02685	0.4
93.03358	2.6
93.44843	0.4
95.01303	1.2
96.95929	0.4
97.02877	0.7
97.54650	0.3
99.00812	1.3
101.02356	14.0
104.42919	0.4
109.02847	0.9
111.04451	0.8
113.02373	10.6
119.03432	7.0
119.04967	1.2
121.02899	0.8
123.08070	0.4
125.02377	0.8
131.03441	1.0
135.04469	0.6
137.02408	0.7
143.03470	2.3
145.02820	0.8
149.04581	0.8
151.00327	0.4
159.02965	1.1
161.02455	0.5
161.04524	7.8
163.04028	0.8
166.55939	0.4
173.04546	2.5
179.05634	2.7
191.05605	7.3
192.05995	0.8
199.71257	0.4
205.08757	0.8
237.44376	0.4
313.18222	3.6
331.19287	4.7
332.19586	0.6
343.15686	0.6
385.17053	0.5
475.23611	1.6
477.27310	0.6
505.20865	2.1
517.20984	6.9
518.21454	1.3
535.21350	2.5
536.22400	0.6
595.21460	0.5
595.30530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77060	0.5
59.01265	82.8
60.01598	0.8
60.06937	0.5
61.98702	1.1
67.14332	0.6
69.03342	0.7
69.30017	0.5
71.01268	7.2
71.58170	1.0
72.99229	1.0
73.02847	2.2
77.74999	0.5
78.95804	1.0
83.01273	1.3
83.02399	0.8
85.02831	2.8
87.00790	1.6
88.05908	0.5
89.02344	0.6
93.03369	4.2
95.04912	0.5
95.76352	0.8
96.14997	0.5
96.95912	20.9
96.96883	1.1
97.02839	0.9
97.47716	0.6
101.02373	3.2
101.02924	0.5
107.30280	0.5
107.83188	0.6
108.02072	0.8
109.02866	0.8
111.04428	1.7
113.02345	1.5
119.03442	0.9
119.04961	3.4
121.02838	1.1
123.04448	1.4
123.08096	1.1
133.02882	4.5
134.03581	0.8
135.04483	3.1
137.02371	1.3
145.02898	2.2
149.02406	4.2
155.03378	0.9
159.04442	0.8
161.02391	10.8
161.04436	1.1
161.09680	0.7
162.02821	0.7
163.03911	4.6
163.11229	0.8
172.05237	0.9
173.04594	5.1
173.06049	1.0
174.06784	0.7
177.01891	42.7
178.02284	2.1
179.03493	1.8
183.10301	1.1
187.03993	0.6
187.07600	5.4
188.07954	0.8
189.12764	0.7
191.05605	15.1
191.07346	1.0
192.04259	49.9
193.04567	2.9
199.20950	0.5
202.06288	1.1
203.10826	0.8
207.06615	100.0
208.06949	6.0
213.09296	1.1
215.07144	1.2
217.16031	6.0
229.08649	1.0
231.06604	1.3
231.10271	3.8
242.23674	0.6
257.08240	1.7
259.13501	2.2
259.20789	0.9
271.02518	1.2
275.09302	6.7
283.02533	0.7
283.20715	0.9
299.01984	0.6
300.02814	1.2
302.66742	0.6
303.19699	2.4
319.08450	0.7
327.19705	1.8
329.17596	1.5
331.19244	1.6
337.09219	2.7
347.18753	13.0
348.19058	1.1
361.20251	1.6
371.18741	9.8
372.19058	1.6
389.19766	3.1
449.14688	3.3
475.72531	0.6
479.26569	2.5
535.25604	0.8
551.21454	3.7
552.21252	0.9
595.12433	1.1
595.27783	0.9
618.24304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25362	0.6
57.03319	0.7
59.00993	1.1
59.01265	13.7
61.98703	1.7
66.79810	0.7
69.03322	0.9
70.44355	2.8
71.01265	5.8
71.04904	12.3
72.99179	0.9
73.02834	4.7
75.00774	1.2
81.03365	0.7
82.95329	0.7
83.01263	1.4
83.02442	0.7
83.04902	1.0
84.91444	0.9
85.02849	2.8
87.00771	1.5
89.02351	1.4
93.03357	2.7
96.95901	3.5
97.02843	11.5
101.01782	0.7
101.02330	4.4
101.78658	0.7
107.04945	1.0
109.02849	3.3
111.04444	1.7
113.02372	1.2
119.04934	1.6
121.06532	2.2
123.08073	40.2
124.08407	1.6
125.02379	0.8
127.07597	3.6
130.78741	0.8
131.03456	0.8
131.68562	0.8
133.02856	2.2
133.10150	1.1
134.03619	0.9
135.04422	2.6
137.02333	1.3
145.02904	1.8
147.08049	1.3
155.03436	1.4
158.96683	0.7
161.02400	7.3
161.09657	2.4
163.03940	2.9
165.05449	0.9
173.04509	3.2
175.07581	1.6
179.03487	1.6
179.07057	0.8
187.07590	1.5
188.34764	0.9
189.09193	10.3
191.05545	6.3
191.07118	21.8
192.07535	1.3
205.08682	21.6
219.13918	2.7
221.08235	2.1
227.03503	1.7
231.10301	0.9
245.11853	2.6
255.03098	2.7
256.03442	1.4
257.03574	1.8
257.08026	0.8
263.12958	2.6
275.09348	1.7
275.12711	0.9
284.03259	2.7
285.03864	4.7
285.18622	2.4
286.04367	4.3
287.04648	2.2
287.12943	5.4
287.16238	1.3
300.02853	0.9
303.19772	1.8
327.19748	2.5
329.17636	100.0
330.18002	12.3
337.09360	1.4
343.19083	1.4
347.18698	30.1
348.19046	3.9
353.17764	1.2
361.20145	2.5
371.18747	15.5
372.19110	1.6
389.19748	7.0
501.13205	0.8
595.13251	8.7
595.30695	1.1
596.14111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28812	1.5
56.82341	1.6
57.03335	2.4
57.06108	1.5
59.01270	26.5
60.27569	1.5
61.98719	20.5
67.01787	2.7
69.03337	2.3
70.89867	4.9
71.01269	13.7
71.04911	11.4
72.99200	5.1
73.02846	5.8
75.00761	8.0
79.01823	1.4
81.03344	2.0
82.54597	1.5
83.04916	2.3
85.02850	7.0
87.00768	6.3
89.02344	4.5
93.03364	19.9
96.95951	2.4
97.02854	10.5
101.02361	8.5
108.02090	2.6
109.02897	3.2
111.04451	5.9
113.02345	3.7
114.01215	1.8
119.04946	6.7
121.03017	1.5
123.08087	38.3
131.03423	2.1
133.02899	4.0
134.03662	4.4
135.04445	5.5
137.02296	4.0
145.02885	5.7
155.03497	3.5
160.01552	2.3
161.02428	4.2
161.09767	1.8
163.03940	9.0
171.13895	2.8
173.04544	23.8
175.03960	1.6
175.07692	2.2
179.03445	1.9
187.07616	6.1
189.09216	5.9
191.05592	40.9
191.07161	15.3
192.05943	2.9
193.04961	4.0
193.08560	2.0
202.06230	1.8
205.08687	18.3
207.10297	1.6
211.07652	1.9
214.34164	1.6
215.07173	3.2
221.08182	2.7
229.08873	2.1
231.10283	2.9
255.03014	2.9
256.03424	2.4
263.12985	2.1
271.02783	1.9
275.09412	2.7
284.03329	2.5
285.03983	3.6
285.18582	2.7
286.04227	5.5
287.04416	2.4
287.12933	5.5
303.19904	2.4
327.19836	2.0
329.17667	100.0
330.18048	12.6
331.19260	2.5
335.22589	2.8
337.09396	4.8
343.18921	1.9
347.18750	31.2
361.20313	2.9
371.18777	15.6
372.19067	3.5
383.71182	1.8
389.19858	6.8
401.97272	1.8
449.14801	1.8
487.34650	2.0
563.22137	3.3
595.13959	5.8
595.31665	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	595.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48263	0.2
59.01267	30.1
60.01600	0.3
66.78211	0.2
71.01273	0.6
71.58144	0.4
85.02847	0.4
87.00814	0.2
88.67118	0.2
89.02348	0.5
93.03355	0.8
96.95948	0.4
100.70155	0.2
101.02342	0.3
104.19719	0.2
106.04192	0.2
108.02020	0.2
109.02870	0.4
113.02377	0.2
119.04935	0.2
121.02874	1.3
121.35571	0.2
122.03669	0.8
123.04456	0.2
123.58810	0.2
131.04945	0.4
133.02928	0.4
134.03699	2.3
135.04443	0.3
137.02452	0.2
149.02406	2.0
150.03185	6.5
151.03539	0.2
151.62453	0.2
161.02460	0.9
161.04549	0.2
162.03186	79.6
163.03514	3.9
164.04716	0.4
165.05534	8.0
166.05840	0.5
173.04622	0.3
173.46480	0.2
174.89020	0.2
177.05547	100.0
178.02696	0.3
178.05890	5.1
180.04262	0.5
191.05603	1.6
192.05974	0.2
195.06627	5.4
196.06909	0.3
238.06641	0.2
249.05586	0.4
262.06357	0.5
266.05695	0.5
267.06668	0.3
278.05838	1.1
279.06790	0.2
281.08276	0.8
281.44693	0.2
293.08170	0.7
310.08545	1.2
325.10886	6.9
326.11188	0.7
355.12012	1.0
373.13031	2.0
374.13470	0.3
414.27969	0.2
593.25061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16216	0.2
59.01266	4.2
61.98717	0.3
67.85475	0.2
69.03412	0.2
71.01263	1.9
71.55566	0.5
73.02857	0.6
85.02856	1.1
87.00764	0.6
89.02347	0.5
93.03352	1.1
95.04938	0.3
96.95904	1.3
97.06504	1.0
98.95506	0.3
99.00800	0.4
101.02319	1.1
105.03391	0.4
106.08092	0.2
107.04955	0.3
109.02888	0.9
111.04469	0.2
113.02371	0.6
115.07589	1.0
117.03375	1.0
121.02865	0.5
123.04467	0.5
123.08023	0.2
132.02087	1.9
133.02885	37.5
134.03590	1.8
135.04451	16.1
136.04802	0.8
137.02359	1.2
143.88394	0.2
154.50995	0.2
155.03432	0.2
159.04454	0.7
161.02390	100.0
162.02744	5.4
163.03912	0.4
173.04509	1.3
178.02730	0.2
179.03459	10.6
180.03777	0.7
180.05264	0.3
181.74017	0.2
183.76173	0.2
185.11963	0.3
191.05577	3.3
192.05965	0.3
193.01550	0.2
200.95341	0.3
203.03513	0.4
209.08206	0.3
229.01550	0.7
271.02637	0.7
272.55606	0.3
279.02869	0.3
300.02847	1.0
301.03503	0.5
335.07614	0.3
339.05133	0.4
343.37717	0.2
353.08990	0.4
509.20206	1.5
510.20319	0.3
515.12097	0.5
551.21466	49.6
552.21820	9.4
595.13062	0.7
595.28503	1.7
596.29675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.1
63.02277	0.7
65.00198	1.3
66.73033	0.2
67.01765	0.5
69.03321	0.3
69.37456	2.5
71.01284	1.2
72.99245	0.3
83.01279	0.9
85.02847	1.2
87.00794	0.5
89.02332	0.8
93.03362	2.2
94.03671	0.3
96.95924	0.3
101.02353	0.3
107.01293	2.5
108.02107	1.6
109.02885	1.4
111.04420	0.4
113.02358	0.5
119.04935	0.8
121.02881	1.6
125.02415	0.4
134.73813	0.2
135.00792	0.5
137.02396	0.4
139.03920	0.3
145.02875	0.6
148.01570	1.4
151.00311	10.8
152.00804	0.3
155.03471	0.3
159.04449	0.7
163.00313	2.2
163.03951	0.9
164.01059	0.7
165.01904	0.4
166.06261	0.3
169.01405	0.5
173.04521	1.7
178.99826	5.8
183.04527	0.4
187.03984	0.3
190.99915	0.4
191.03838	0.3
191.05582	4.4
192.00706	0.6
192.05928	0.6
193.01399	0.3
193.04869	0.4
198.03275	0.3
198.98174	0.3
199.04071	0.3
201.05644	0.5
203.03581	0.5
211.03963	1.0
215.03403	0.6
216.04305	0.6
226.02805	1.4
227.03484	2.4
228.04066	0.5
229.05057	0.6
239.03616	0.3
243.03024	8.7
244.03505	1.1
245.04533	1.2
254.02284	1.7
255.03032	24.4
256.03458	2.0
271.02548	50.2
272.02985	5.7
273.04117	0.9
283.02667	1.3
299.02057	1.3
300.02829	75.1
301.03528	34.3
302.03983	2.4
327.08813	0.6
343.04623	0.7
357.09747	0.4
373.12933	0.5
433.15009	0.4
527.49017	0.3
595.13196	100.0
596.13538	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	595.1687
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.59900	0.8
52.12997	1.0
53.32606	0.9
59.01248	2.2
68.99703	1.4
69.89498	5.0
71.01266	3.4
75.00758	1.1
79.01795	1.7
81.03339	2.0
82.76097	0.9
83.01270	4.0
85.02850	2.0
93.03362	8.3
95.01251	2.7
96.95903	2.4
96.96881	1.1
97.02874	4.2
99.00776	1.2
101.02366	1.5
105.00654	0.9
107.01301	7.5
107.04929	1.1
108.02087	1.4
109.02854	3.7
111.04423	1.6
113.02370	1.1
117.03370	1.0
119.04939	43.5
120.05267	2.4
121.02884	4.8
123.00820	1.9
123.04427	3.0
125.02356	8.6
133.02861	1.3
135.04430	4.7
136.01559	1.2
137.02374	5.9
137.06071	1.0
139.03960	8.0
143.04958	5.9
145.02872	7.8
147.04465	2.8
149.02368	5.3
151.00327	4.7
151.03973	1.3
155.03432	1.5
159.04404	1.0
161.02391	2.2
161.06013	2.3
163.00307	3.9
163.03944	4.0
164.01065	2.1
165.01857	7.1
165.05524	1.2
167.03464	11.0
167.22035	1.1
173.02283	1.0
175.03967	1.4
177.01883	5.0
177.05389	1.1
178.02686	1.4
179.03360	4.2
180.04129	1.1
181.05104	1.1
185.02548	0.8
185.06059	1.0
187.03935	7.6
189.01889	1.4
189.05609	1.2
191.03491	4.7
191.05527	2.3
192.99820	1.1
193.01424	12.3
193.04982	1.6
197.04489	3.0
199.04150	0.9
199.07610	3.1
203.03510	1.0
205.01454	8.4
206.02013	1.9
207.03004	4.5
209.04459	4.9
215.04662	2.1
219.02979	3.6
221.04475	1.0
223.02513	1.7
227.07207	2.1
227.93999	0.9
233.04599	2.1
235.02483	14.9
236.02881	1.2
239.05508	1.9
241.08870	1.3
243.06575	1.2
245.08353	1.0
247.02550	1.4
249.04117	2.6
259.03528	1.8
261.04050	1.2
265.03485	4.7
265.08829	1.2
271.06128	5.2
283.06396	1.1
297.07614	1.2
311.05576	1.0
313.07245	17.2
314.07712	1.7
325.07248	9.1
326.07578	1.4
343.08206	6.5
353.06982	1.1
355.08295	89.5
356.08548	8.1
367.08105	4.2
369.09808	1.4
385.09357	59.2
386.09842	6.9
397.09332	5.1
415.10400	18.8
416.10947	2.2
427.10336	1.0
439.10031	1.2
457.11618	7.9
460.58960	0.9
474.41739	0.9
475.12589	38.6
476.12680	4.1
487.12491	4.2
488.13022	1.1
505.13669	8.9
506.13791	1.1
560.78699	1.0
577.15698	4.9
595.16815	100.0
596.17181	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	594.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28991	0.2
57.03329	0.5
59.01263	22.6
61.98717	1.0
64.95798	0.3
69.03335	0.3
70.95161	0.2
71.01263	1.1
71.58637	0.2
77.40627	0.3
78.95793	10.0
80.96428	1.4
83.04902	0.3
85.02837	0.7
85.03408	0.3
86.79424	0.3
87.00774	0.5
89.02319	0.3
93.03352	1.2
96.95895	0.4
96.96905	0.4
97.02844	0.3
101.02287	0.3
113.09641	2.3
121.02831	1.0
125.02338	0.3
128.46347	0.3
129.99403	0.3
133.02875	1.3
134.03624	0.4
135.04430	2.1
137.02376	0.8
145.02885	0.4
151.07588	0.8
152.99525	3.0
161.02402	1.9
162.02757	0.4
163.04019	0.3
168.04256	2.5
173.04527	0.8
177.12863	0.4
178.02750	0.6
179.03394	0.4
179.14349	1.2
181.12335	0.7
191.05629	2.1
195.06628	2.7
195.13878	21.4
196.06908	1.0
196.14240	1.6
224.06961	1.7
235.65356	0.4
235.79282	0.3
242.08006	4.6
251.23657	0.3
277.21777	17.6
278.22046	1.8
293.21292	0.4
295.22839	100.0
296.19794	0.5
296.23175	10.7
309.24545	0.3
331.19138	0.3
432.25058	0.3
449.23096	2.0
472.31525	0.5
517.07916	0.3
520.30554	82.1
520.76257	1.3
521.30951	13.1
534.23547	0.4
535.26581	0.5
538.56323	0.3
593.79236	1.0
594.26917	2.1
595.31738	1.5
605.61084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	2.3
57.03334	5.2
59.01264	100.0
61.98717	8.2
62.66304	2.0
71.01266	48.9
71.57544	2.9
73.02831	15.2
78.98508	2.8
79.95610	15.1
80.96410	42.1
80.96853	3.4
83.01290	6.3
85.02840	23.0
86.00023	2.9
87.00764	7.2
89.02334	7.9
93.03368	5.0
94.97988	8.4
95.01296	2.6
96.95926	4.1
97.38058	2.5
99.00788	4.8
101.02339	18.6
105.12193	2.2
113.02383	16.4
122.97476	4.1
125.02364	7.3
133.02913	2.6
134.97459	2.6
137.09720	2.5
143.03421	5.3
148.99110	3.8
160.01591	2.7
161.04544	6.3
164.98636	7.8
169.02354	2.3
171.13821	4.1
173.04512	3.9
175.04007	2.8
191.05620	5.2
194.38364	2.5
205.08630	2.7
225.00818	13.5
235.15210	13.7
243.24007	2.3
245.17654	4.9
261.75937	2.1
287.53137	2.4
343.28674	4.1
345.30234	22.8
471.31406	9.4
489.34448	71.1
490.35168	12.9
507.35498	52.6
508.35931	6.0
549.36414	6.4
593.26447	66.3
593.79163	4.5
594.26733	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	7.1
57.03339	0.4
59.01268	9.2
59.42166	0.3
61.98707	0.4
65.03858	1.0
65.05398	0.3
67.01783	0.4
69.03350	1.9
69.47439	2.6
71.01277	5.0
71.04919	0.4
72.99178	0.4
73.02840	0.5
78.95241	0.3
78.95751	0.3
78.98510	0.7
79.95624	5.2
80.96410	11.5
81.03342	0.9
83.01304	0.3
83.04911	5.4
85.02843	37.6
86.03191	0.7
87.00776	0.9
89.02341	3.5
93.78050	0.3
94.97971	2.5
95.01279	0.4
96.95921	1.0
97.02873	0.9
97.06487	0.5
101.02341	3.1
106.98018	0.5
109.02884	0.5
109.06502	0.8
110.64945	0.3
111.00795	20.9
111.08105	0.8
112.01018	0.4
112.01662	0.5
113.02369	3.1
119.03429	1.2
119.04903	0.3
121.06506	0.3
122.97497	1.0
123.08079	2.9
125.02371	4.5
129.01852	0.7
133.02917	0.3
134.97513	0.9
145.02885	0.4
148.99109	1.0
152.98586	1.1
153.01877	4.5
161.02422	1.0
161.04553	0.7
163.11287	0.4
164.98575	1.8
173.04543	0.3
179.03439	0.5
179.05566	0.4
187.37061	0.3
191.05569	1.0
199.28188	0.3
206.99756	0.8
210.04837	0.4
225.00734	3.7
228.86311	0.3
243.01880	0.5
259.20764	0.8
273.22275	1.2
274.22583	0.4
275.23865	1.9
283.20859	0.8
299.04605	1.0
301.21799	12.1
302.22134	1.2
319.22852	2.8
325.25494	1.1
326.25681	0.4
343.26398	2.3
369.24545	2.3
387.25488	31.1
388.25812	4.3
411.25424	0.3
413.11255	0.5
413.23444	4.8
414.23608	0.7
429.26480	1.5
431.24466	100.0
432.24799	15.5
447.23331	1.5
447.73474	0.6
455.16196	0.7
455.24435	1.1
473.25552	1.8
474.25739	0.4
531.95532	0.3
588.11639	0.3
593.26874	24.1
594.27136	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	593.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01281	1.6
61.98705	1.4
63.69735	0.6
63.86006	0.7
71.01241	0.9
71.59824	0.9
75.00766	10.9
77.31433	0.6
77.38853	0.6
78.95795	77.6
96.95915	0.8
96.96864	13.8
119.78464	0.7
121.02868	1.6
150.97929	1.6
152.99525	89.0
153.99875	1.0
160.84166	2.2
162.83868	4.2
171.00604	2.3
223.00139	3.0
241.01224	21.4
241.12103	0.7
275.20157	0.8
277.21783	47.1
278.22122	5.6
287.84723	0.9
300.02731	0.9
315.04984	6.9
316.04999	0.8
413.20865	4.2
431.21756	5.7
432.22919	0.8
503.30081	1.0
587.02679	0.7
593.27472	100.0
594.07941	1.1
594.27771	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.0
61.32792	0.5
67.29564	0.5
67.47150	0.4
69.37054	4.7
71.21700	0.5
77.12793	0.5
78.95792	63.6
86.14215	0.5
86.41872	0.4
96.96861	12.2
150.97897	1.5
152.99524	97.4
153.99849	1.8
161.50967	0.5
171.00652	2.9
223.00121	11.2
241.01218	24.5
242.01631	0.5
259.02243	1.0
259.20706	0.8
277.21777	47.7
278.22113	4.2
315.04959	14.3
316.05154	0.9
333.06027	1.2
593.27441	100.0
594.27777	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	593.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24346	0.4
59.01261	0.9
60.76276	0.4
68.79370	0.5
69.36599	1.2
69.37020	2.6
70.11690	0.4
78.06779	0.4
78.95793	69.0
92.98084	0.4
96.38773	0.5
96.95922	2.9
96.96857	11.9
110.72285	0.4
150.97951	1.2
152.99524	100.0
153.99840	1.2
160.84200	0.4
162.83852	0.6
171.00606	2.4
178.64688	0.4
185.83073	0.5
192.08530	0.4
213.73662	0.4
223.00113	10.0
223.02333	0.5
241.01210	23.7
242.01463	1.1
258.72525	0.4
259.02289	2.1
275.20264	0.5
277.21786	46.2
278.22098	5.0
315.04935	15.5
316.05173	0.5
333.05942	1.0
428.12201	0.5
429.59833	0.4
481.13321	0.5
532.45020	0.4
564.81665	0.5
593.27435	98.5
594.27716	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	593.2652
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
54.48192	0.3
59.01260	2.3
61.98717	9.4
63.96118	1.0
69.03347	0.3
71.01270	5.8
71.56403	0.3
72.99201	0.3
73.02844	1.1
78.95790	0.3
78.98483	5.1
79.95625	32.2
80.96408	50.1
81.03353	0.9
85.02840	2.7
87.00761	2.2
89.02325	0.3
94.95731	0.2
94.97981	11.8
95.01286	0.4
96.95901	1.2
96.96883	0.3
97.02852	1.0
97.45773	0.2
99.00781	0.6
99.04411	0.4
101.02346	2.5
101.05981	0.4
106.97980	2.3
113.02356	0.5
117.03420	0.3
119.04967	0.2
122.97497	2.9
125.02363	2.3
127.03928	0.8
131.59540	0.2
132.55989	0.2
133.02890	0.6
134.97499	4.2
135.04407	0.5
136.99075	1.4
145.02884	0.8
148.01607	0.6
148.62080	0.2
148.99080	4.8
152.98566	4.3
160.01599	0.3
161.02374	1.4
161.04504	1.6
164.98579	10.4
167.00203	0.3
174.97261	0.2
175.03946	0.3
176.98640	0.2
179.03467	0.5
182.99576	0.3
188.98592	0.4
191.03506	0.3
191.05617	0.7
195.06555	0.4
195.13858	0.6
206.99670	3.1
211.13499	0.3
225.00755	15.1
226.00998	0.6
241.00281	2.5
248.20634	0.2
293.07837	0.2
293.21414	0.4
299.04443	3.3
315.03903	1.2
341.05493	0.9
371.06653	3.0
385.08255	1.6
399.09656	1.7
413.11398	1.4
427.12790	0.9
441.14401	0.9
455.16049	2.5
481.17593	0.8
495.19174	2.7
496.19644	0.5
507.19287	0.4
523.18481	1.2
524.19672	0.7
549.23712	0.4
593.26465	100.0
594.26825	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	593.2652
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
50.33017	0.6
55.01779	2.7
55.86346	0.5
59.01000	0.5
59.01264	6.2
61.98707	0.6
63.96108	1.0
69.03322	1.6
71.01266	8.7
71.59645	0.8
72.99200	1.0
73.02818	1.6
78.95770	0.5
78.98483	4.9
79.95627	23.3
80.96410	55.9
81.03345	1.1
82.73901	0.4
83.04903	2.0
85.02843	17.4
87.00789	2.5
89.02328	1.6
93.03391	0.7
94.97989	12.9
95.05008	0.4
96.95886	1.6
97.02858	1.8
99.00782	0.8
99.04385	0.5
101.02329	3.1
106.98006	2.4
107.94501	0.6
109.02807	0.7
111.00795	8.6
113.02346	1.8
114.56930	0.5
119.03391	0.5
121.02843	0.6
122.97500	3.8
123.08047	0.9
125.02367	4.8
127.03931	1.0
133.02870	1.1
134.97525	4.1
135.04419	1.4
136.99025	1.7
148.99080	4.4
152.98578	5.6
153.01906	2.1
161.02393	2.7
161.04488	0.7
164.97279	0.9
164.98575	10.3
179.00223	0.6
179.03444	1.1
182.99596	0.7
188.01003	0.5
191.05525	1.3
195.06664	0.6
195.13878	0.7
206.99585	2.8
225.00752	15.8
226.00911	0.7
241.00194	1.0
243.01749	0.6
275.23621	0.6
293.21133	0.7
299.04550	4.4
301.21826	5.0
319.22855	1.2
336.31027	0.5
343.26483	0.8
369.24304	1.1
371.06543	1.7
385.07883	0.5
387.25485	12.1
388.25757	1.5
399.09604	1.3
413.11301	0.8
413.23386	2.0
431.24472	38.4
432.24872	4.7
455.16119	0.7
455.24713	0.6
473.25247	0.6
495.18936	0.9
512.47083	0.5
519.28967	0.6
544.15344	0.5
593.26453	100.0
594.26715	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	593.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.6
60.99189	0.6
61.98722	0.5
71.01270	0.6
71.58249	0.4
75.00763	0.2
78.95796	3.8
79.95627	2.7
82.26987	0.2
85.02837	0.5
88.98694	3.5
93.03334	0.4
96.95914	100.0
96.96811	7.0
97.02843	0.3
97.95837	0.2
98.02369	1.2
101.02350	0.4
111.00750	0.2
113.02332	0.3
133.02885	0.8
134.03699	0.5
135.04416	1.0
160.01630	0.3
161.02382	2.2
163.03922	0.3
173.04471	0.5
175.04054	0.2
177.01912	0.2
179.03452	0.7
191.05560	1.5
193.05028	0.4
202.02689	0.2
215.22542	0.2
265.23129	0.2
271.02551	0.2
321.75580	0.2
367.23047	0.2
421.50543	0.2
473.31396	0.2
492.56085	0.2
549.23383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45543	0.2
55.01764	0.2
57.03334	0.3
59.01270	3.7
61.98724	0.7
67.01791	0.4
69.03343	0.2
71.01277	2.4
71.63042	0.3
72.99216	0.6
73.02838	0.5
75.00766	0.4
78.95795	3.2
79.95629	2.6
85.02850	1.6
87.00766	1.7
89.02335	1.2
93.03370	2.1
95.01335	0.3
96.95918	100.0
96.96805	4.7
97.02850	0.3
97.06522	0.2
97.95844	0.5
98.02371	2.0
98.95504	4.2
98.96245	0.4
99.00782	0.7
99.01910	0.8
101.02360	1.3
106.04147	0.2
108.02067	0.5
109.02906	0.4
111.00788	0.2
111.04431	0.7
113.02366	0.9
115.91985	0.2
116.92780	0.2
119.03442	0.3
119.04971	1.1
121.02889	0.3
121.06519	0.3
123.00809	0.5
124.01599	0.9
125.02378	0.6
129.01869	0.3
133.02922	0.3
134.03690	1.0
135.04422	0.8
135.16785	0.2
137.02353	0.4
145.02887	0.7
147.04501	0.5
149.53783	0.2
149.99545	0.9
151.03792	0.2
152.01077	0.4
153.01906	0.2
155.03487	0.5
161.02399	0.6
162.03174	7.4
163.03954	1.1
166.02649	0.2
168.00629	2.1
173.04527	1.4
177.01956	0.2
177.05545	7.5
178.05830	0.3
179.03476	0.6
179.05534	0.4
191.05588	5.4
192.06017	0.4
193.05089	0.5
211.07698	0.3
227.03488	0.6
229.05171	0.3
239.03345	0.2
241.08788	0.2
255.03033	1.2
256.03735	0.4
271.02664	0.2
283.02750	0.3
284.03268	1.2
285.04077	1.9
299.01929	0.4
300.02411	0.3
313.18402	0.2
353.23309	0.3
371.24411	1.6
421.84842	0.2
431.22958	0.5
449.87057	0.2
501.14069	0.2
533.29858	4.3
533.37274	0.3
534.30389	0.6
549.20520	0.3
549.29083	0.3
593.14905	2.8
593.23651	0.2
593.29584	0.6
594.15210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45543	0.2
55.01764	0.2
57.03334	0.3
59.01270	3.7
61.98724	0.7
67.01791	0.4
69.03343	0.2
71.01277	2.4
71.63042	0.3
72.99216	0.6
73.02838	0.5
75.00766	0.4
78.95795	3.2
79.95629	2.6
85.02850	1.6
87.00766	1.7
89.02335	1.2
93.03370	2.1
95.01335	0.3
96.95918	100.0
96.96805	4.7
97.02850	0.3
97.06522	0.2
97.95844	0.5
98.02371	2.0
98.95504	4.2
98.96245	0.4
99.00782	0.7
99.01910	0.8
101.02360	1.3
106.04147	0.2
108.02067	0.5
109.02906	0.4
111.00788	0.2
111.04431	0.7
113.02366	0.9
115.91985	0.2
116.92780	0.2
119.03442	0.3
119.04971	1.1
121.02889	0.3
121.06519	0.3
123.00809	0.5
124.01599	0.9
125.02378	0.6
129.01869	0.3
133.02922	0.3
134.03690	1.0
135.04422	0.8
135.16785	0.2
137.02353	0.4
145.02887	0.7
147.04501	0.5
149.53783	0.2
149.99545	0.9
151.03792	0.2
152.01077	0.4
153.01906	0.2
155.03487	0.5
161.02399	0.6
162.03174	7.4
163.03954	1.1
166.02649	0.2
168.00629	2.1
173.04527	1.4
177.01956	0.2
177.05545	7.5
178.05830	0.3
179.03476	0.6
179.05534	0.4
191.05588	5.4
192.06017	0.4
193.05089	0.5
211.07698	0.3
227.03488	0.6
229.05171	0.3
239.03345	0.2
241.08788	0.2
255.03033	1.2
256.03735	0.4
271.02664	0.2
283.02750	0.3
284.03268	1.2
285.04077	1.9
299.01929	0.4
300.02411	0.3
313.18402	0.2
353.23309	0.3
371.24411	1.6
421.84842	0.2
431.22958	0.5
449.87057	0.2
501.14069	0.2
533.29858	4.3
533.37274	0.3
534.30389	0.6
549.20520	0.3
549.29083	0.3
593.14905	2.8
593.23651	0.2
593.29584	0.6
594.15210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87298	0.7
59.01269	6.6
64.66814	0.7
70.99725	1.2
71.00063	1.5
71.01268	3.2
76.20190	0.7
85.02845	1.8
89.02330	1.4
93.03362	2.0
95.06049	0.7
96.95902	0.6
101.02362	2.0
113.02367	1.0
117.03387	2.3
119.04932	1.4
123.04447	1.1
132.02109	2.3
133.02882	35.5
134.03308	2.0
135.04446	12.9
145.02896	3.9
149.02377	1.8
153.01860	0.9
160.01569	0.8
161.02393	100.0
162.02751	5.1
163.03975	2.8
167.03427	0.8
173.04387	0.7
175.04025	0.9
178.58275	0.6
179.03482	7.6
191.05621	1.8
195.06651	0.8
209.11774	1.0
240.55174	0.6
376.24182	0.8
455.22845	5.3
474.95035	0.7
505.21402	1.5
507.22632	2.8
549.23541	60.3
550.23920	10.1
593.26447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.6
60.99189	0.6
61.98722	0.5
71.01270	0.6
71.58249	0.4
75.00763	0.2
78.95796	3.8
79.95627	2.7
82.26987	0.2
85.02837	0.5
88.98694	3.5
93.03334	0.4
96.95914	100.0
96.96811	7.0
97.02843	0.3
97.95837	0.2
98.02369	1.2
101.02350	0.4
111.00750	0.2
113.02332	0.3
133.02885	0.8
134.03699	0.5
135.04416	1.0
160.01630	0.3
161.02382	2.2
163.03922	0.3
173.04471	0.5
175.04054	0.2
177.01912	0.2
179.03452	0.7
191.05560	1.5
193.05028	0.4
202.02689	0.2
215.22542	0.2
265.23129	0.2
271.02551	0.2
321.75580	0.2
367.23047	0.2
421.50543	0.2
473.31396	0.2
492.56085	0.2
549.23383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
59.01275	4.0
69.03356	0.6
69.34090	2.6
69.34522	3.2
71.01266	5.9
71.02815	0.6
72.99193	1.5
73.02837	1.4
75.00774	1.4
75.59284	0.6
79.72691	0.6
83.01255	0.9
85.02853	5.2
85.35201	0.7
87.00779	0.9
89.02345	1.7
93.03348	2.5
95.01273	1.8
96.95895	3.1
96.96863	0.6
97.02866	0.8
99.00780	2.3
101.02346	2.1
106.49989	0.6
107.04970	0.7
108.02079	47.3
109.02905	9.0
113.02341	3.2
116.11264	0.5
117.03362	1.9
118.88150	0.6
119.04946	15.5
121.02900	1.1
123.00826	0.9
125.02421	1.0
133.02885	0.8
135.04469	1.1
145.02917	5.7
151.03976	2.0
152.01094	100.0
153.01677	6.4
161.02345	1.3
161.04541	1.2
163.03947	16.5
164.04279	0.9
173.04488	0.8
175.03958	0.6
177.01881	1.8
179.03439	1.5
191.05589	8.5
207.02994	0.7
213.10612	0.6
227.10864	0.7
234.96104	0.6
271.08203	1.0
275.22787	0.7
284.03433	0.8
297.06357	0.8
315.07339	1.0
366.54367	0.6
429.10403	12.1
430.10876	1.6
447.11511	50.0
448.11890	5.0
491.05148	0.6
549.21985	6.4
575.41656	0.7
593.15253	77.5
594.15601	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.3
61.98701	0.5
63.02291	0.6
65.00217	0.6
71.37944	0.7
74.12354	0.3
83.01275	0.9
85.02863	0.6
90.81453	0.3
93.03358	2.0
107.01301	1.7
109.02876	0.7
113.02428	0.4
117.03387	0.4
119.04921	0.4
129.30672	0.3
130.04126	0.4
132.02121	1.1
134.03633	0.4
135.00780	1.0
135.04395	0.6
137.02299	0.8
143.04913	1.1
146.03662	0.3
146.25093	0.3
147.04407	0.3
151.00340	2.4
153.01875	0.6
157.06509	0.6
159.04402	1.6
161.02446	0.5
163.00356	2.1
164.01073	0.4
165.01935	0.6
167.04956	0.5
169.01479	0.5
169.06569	1.0
171.04465	0.9
173.04533	0.5
175.03992	0.4
178.99808	0.6
179.03453	0.8
179.07071	0.6
183.04468	0.7
184.61775	0.3
185.06067	2.6
187.03960	2.9
189.05521	1.2
191.05582	3.4
195.04497	0.8
197.06035	1.0
199.03975	1.1
201.05502	0.7
211.03902	1.7
212.04663	0.3
213.01666	0.4
213.05482	2.3
214.02618	0.4
227.03499	32.7
228.03915	2.5
229.05066	9.4
230.05405	0.9
239.03421	2.4
240.04253	0.6
241.05048	2.0
243.03050	0.5
249.63832	0.3
255.03027	56.0
256.03571	7.7
257.04562	7.4
258.04919	0.7
267.03088	1.2
283.02634	0.6
284.03323	75.4
285.04074	100.0
286.04453	8.1
299.05786	0.4
327.05075	0.7
537.70770	0.3
593.15234	97.0
594.15564	17.2
606.32025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1529
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
57.02095	0.2
59.01269	2.1
64.60909	0.2
69.20901	0.2
71.01273	1.6
71.27206	0.5
73.02841	0.5
79.01792	0.4
80.79953	0.2
83.01268	0.3
85.02859	0.7
86.38593	0.2
89.02333	0.5
91.05437	0.5
93.03366	1.9
95.01305	0.5
96.95925	0.5
101.02382	0.5
107.01299	0.4
107.04958	0.3
108.02115	0.3
109.02868	0.4
113.02357	0.5
117.03376	5.7
118.03706	0.2
119.04955	1.3
121.02834	0.3
130.36079	0.2
131.04929	0.4
133.06592	0.5
133.34460	0.2
135.04449	2.8
137.02348	0.3
145.02925	0.3
147.04477	0.5
149.02359	0.9
149.06039	0.5
150.03192	0.2
153.01660	0.2
158.03679	0.2
159.04448	1.1
161.02391	2.4
161.06047	0.6
162.03076	0.3
163.03984	1.7
164.01190	0.2
165.05589	0.3
168.38239	0.2
173.02431	0.3
173.06032	0.5
175.04005	1.7
177.01941	0.5
177.05527	1.6
179.03455	0.9
185.02368	0.3
187.03990	0.4
189.01880	0.7
189.05452	0.5
191.03487	1.4
191.05600	1.1
193.05008	0.4
197.06105	0.5
201.05553	0.3
203.03481	1.3
205.01245	0.3
205.05049	0.6
209.06134	0.4
211.07613	0.3
215.03442	0.3
217.01448	0.2
217.05013	0.3
221.04556	0.7
223.07625	0.5
224.08450	0.4
225.05594	0.4
225.09192	0.4
233.04587	0.8
235.07715	0.2
237.05560	0.4
238.06293	0.5
239.07187	0.4
241.04982	0.3
243.06508	0.3
245.04553	0.4
251.07188	0.6
253.08746	0.5
257.04504	0.3
263.07306	0.3
266.05997	0.3
267.06693	1.0
268.07513	1.2
269.04935	0.3
279.06570	0.4
281.04578	0.9
282.05377	2.0
283.06134	3.2
284.06635	0.3
293.08005	0.3
294.05420	0.3
295.06165	4.4
296.06924	3.1
297.07739	21.1
298.08127	2.5
306.05640	0.2
307.06168	2.2
308.06708	0.6
309.07761	2.4
311.05713	3.0
312.05991	0.4
321.04147	0.5
321.07715	0.4
322.04807	0.4
323.05701	3.4
324.06287	1.0
325.07254	9.3
326.07629	0.9
328.05960	3.0
335.05621	1.8
337.07227	2.8
338.07584	0.3
341.06723	0.5
351.05063	0.8
353.06738	44.7
354.07080	5.3
355.08304	1.5
356.05432	0.7
365.06720	5.1
366.07071	0.6
367.08383	0.3
377.06818	0.4
381.06360	0.4
383.07803	26.3
384.08142	3.4
395.07742	3.1
396.08044	0.5
397.09402	0.6
413.08826	2.6
414.09079	0.3
425.08875	0.9
437.09122	0.5
455.09665	0.8
473.11011	11.9
474.11490	1.3
503.12305	2.5
504.12177	0.3
533.26447	0.4
549.21875	0.4
575.14099	0.9
593.15253	100.0
594.15564	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	593.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92032	0.2
57.02298	0.3
59.01257	0.3
60.97625	0.2
63.02270	0.4
65.00225	0.4
70.95296	0.3
70.95630	0.5
80.62785	0.2
83.01288	0.5
89.02357	0.6
93.03365	0.9
96.95931	0.4
107.01299	1.5
108.02103	1.1
109.02917	0.4
113.02321	0.3
117.03397	0.4
119.04937	0.5
125.02403	0.5
132.02129	0.8
133.02878	1.0
135.00786	0.7
135.04471	1.0
143.04959	0.2
151.00314	3.0
152.01074	2.1
153.01836	0.4
159.04420	0.6
161.02390	3.2
163.00392	1.2
164.01100	0.6
169.06596	0.3
173.04530	0.5
174.03180	0.2
175.04105	0.3
178.99767	0.5
179.03471	0.7
183.04425	0.6
185.06064	0.8
187.03960	1.0
191.05591	1.4
197.06096	0.4
199.03983	0.7
200.04825	0.3
204.97969	0.2
209.08243	0.3
211.03957	1.3
213.05539	0.7
218.63017	0.2
224.51308	0.2
227.03500	24.3
228.03847	2.2
229.05058	3.2
230.05287	0.3
239.03503	0.8
240.04364	0.5
241.05101	0.7
255.03027	47.9
256.03574	6.7
257.04568	3.2
259.12427	0.3
267.03122	0.3
270.52002	0.2
283.02591	0.6
284.03329	79.9
285.04031	33.1
286.04483	2.2
327.05185	1.1
429.10349	0.3
447.11334	0.9
455.11884	0.3
531.28961	0.2
593.15216	100.0
594.15582	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	591.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01602	1.2
60.06330	0.2
61.98717	1.6
69.31966	1.4
71.01278	1.7
72.99236	0.2
73.02856	0.3
78.95831	0.2
83.01309	0.3
85.02844	1.2
89.02367	0.4
93.03328	0.2
96.95943	0.3
98.19790	0.3
99.00789	0.3
101.02345	1.2
113.02345	1.2
119.03413	0.2
133.02956	0.1
135.04527	0.2
142.74309	0.1
159.02998	0.2
161.02377	0.2
161.04500	0.8
173.04491	0.1
185.15501	0.3
191.05666	0.5
209.11783	0.1
229.18530	0.1
246.94913	0.1
257.96823	0.2
341.18137	0.2
453.32581	0.3
471.33380	5.3
472.33871	0.7
489.34415	1.7
490.35217	0.3
531.35547	1.9
532.35913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00493	0.5
59.01272	9.9
61.98719	6.2
63.02295	1.2
65.00216	1.1
67.01713	0.4
69.03354	0.6
71.01270	7.7
72.99232	1.3
73.02858	1.5
74.95303	0.5
83.01293	1.3
85.02859	3.0
87.00790	1.5
88.98702	0.9
89.02353	6.3
93.03357	4.2
96.73039	0.5
96.95919	11.6
97.02847	0.6
97.06471	0.5
98.02398	0.8
98.95497	2.9
98.96116	0.4
99.00784	1.2
99.01931	0.8
101.02353	4.5
101.02950	0.8
107.01306	2.4
108.02088	0.7
109.02878	1.2
111.00819	0.5
113.02341	2.5
117.03368	4.2
119.03436	2.2
119.04951	4.5
125.02347	2.8
132.02124	2.1
133.02911	1.0
134.03665	2.0
135.00848	1.6
135.04474	1.0
137.02388	1.8
143.03496	0.8
143.04976	1.0
145.02901	14.6
149.04565	0.6
151.00325	6.3
153.01900	1.1
159.04466	1.0
160.01585	1.2
161.02435	1.6
161.04497	1.0
163.00285	3.2
163.03960	4.5
164.01056	0.5
165.01842	0.5
167.03470	1.9
167.04794	0.8
169.01384	1.1
169.06544	0.7
171.04454	0.8
172.21468	0.6
173.02345	0.6
173.04497	1.8
173.05965	0.5
175.03947	1.7
176.01138	0.6
177.01913	1.1
178.99850	0.9
179.03519	0.7
179.05635	2.5
183.04523	1.4
185.02501	0.7
185.06108	2.3
187.03949	3.7
189.05649	1.3
191.05606	6.2
193.05138	3.0
195.04462	0.8
197.06052	0.9
199.04005	1.2
206.99973	0.9
208.99547	14.6
209.04529	0.8
211.03967	3.1
212.04710	1.2
213.05545	3.4
227.03514	43.9
228.03967	3.4
229.05074	11.0
239.03625	2.1
240.04280	1.1
241.05055	1.8
255.03043	68.6
256.03671	12.0
257.04590	6.2
267.03198	0.7
283.02414	0.9
284.00076	1.4
284.03342	81.3
285.04102	100.0
286.04440	7.3
307.08286	2.8
323.09879	2.2
327.05411	0.8
398.15054	0.5
447.09219	3.1
494.08835	0.5
533.29626	1.0
539.26428	0.5
557.22430	1.7
593.13165	95.0
594.13489	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	591.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03370	0.3
59.01268	100.0
60.01604	0.9
61.98716	2.4
71.01269	2.4
71.58752	0.5
71.59110	0.3
73.02835	0.8
75.00778	1.0
78.95796	1.0
79.95637	1.1
83.01290	0.5
85.02842	1.4
89.02383	0.4
93.03377	0.5
96.95918	32.3
96.96915	1.0
97.02869	0.3
99.00832	0.4
101.02354	1.6
113.02382	1.1
119.04956	0.6
125.02378	0.3
133.02954	0.4
134.03654	0.3
135.04488	0.4
143.03456	0.3
147.34268	0.3
149.04512	0.3
161.02437	0.4
161.04488	0.6
163.03995	0.9
173.04544	0.3
191.05618	1.0
323.13916	0.3
344.08664	0.3
351.37024	0.3
471.33395	4.6
472.33905	0.8
487.33041	1.0
489.34525	2.6
490.34775	0.5
505.34048	0.9
515.48621	0.3
531.28552	0.4
531.35669	2.2
532.36249	0.3
547.24652	0.4
591.25287	0.7
604.90369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
55.93832	0.5
57.03336	1.9
57.84202	0.6
59.01266	100.0
60.01601	1.1
61.98722	2.9
69.03346	0.8
69.33331	1.0
69.33739	4.7
69.55008	0.6
71.01270	16.6
72.99207	0.9
73.02840	3.2
79.98615	0.5
83.01279	3.5
85.02841	11.0
86.00002	1.1
87.00791	1.2
89.02318	2.9
95.01297	3.2
97.02868	2.0
99.00233	0.5
99.00803	2.2
101.02347	9.2
111.00790	1.0
113.02363	14.3
115.03910	1.2
119.03399	1.4
121.10192	2.5
125.02400	2.1
132.75536	0.5
143.03447	5.6
161.04503	3.6
179.05679	0.5
185.15472	2.4
191.05687	1.3
341.27399	0.7
343.28482	3.4
413.29480	0.7
439.30984	0.8
457.31744	1.1
487.32895	62.6
488.33273	10.4
505.33963	17.1
505.41135	1.0
506.34125	2.6
547.35352	2.7
548.35626	0.8
586.62567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36610	1.0
52.60234	0.9
55.69113	0.9
57.03338	3.9
59.01268	100.0
60.86387	1.0
61.98714	3.5
66.32043	1.1
67.01757	1.0
69.03323	1.0
71.01275	29.8
71.38078	2.2
72.99200	3.9
73.02831	6.4
75.00765	15.1
78.95785	7.9
83.01273	6.4
85.02846	26.9
87.00781	6.9
88.98717	1.5
89.02343	7.3
93.03352	5.4
94.03703	0.9
95.01304	3.5
96.95907	8.1
97.02887	2.3
99.00771	5.3
99.76222	1.2
101.02358	12.2
111.00787	2.5
113.02364	24.8
115.00293	1.4
117.03379	1.4
119.03436	2.1
119.04950	4.2
125.02319	1.1
129.01868	1.9
131.03412	1.4
132.02132	1.7
133.02911	1.4
134.03639	2.9
135.04427	2.8
137.02382	1.3
143.03416	2.3
143.04947	4.3
145.02884	6.7
146.03384	1.0
147.04402	2.2
149.05994	1.1
152.99536	3.9
157.12253	1.6
160.01584	4.2
161.02338	2.5
161.04547	2.7
163.03955	3.4
173.04521	5.8
175.02527	1.8
175.03992	3.6
175.76991	1.1
176.04384	1.0
177.01898	1.3
187.03967	3.4
191.05606	9.6
193.05051	4.1
194.05362	1.7
209.11826	4.3
211.07584	1.5
241.04997	1.3
286.50546	1.1
331.19324	1.2
343.28546	3.1
363.12445	1.7
388.22940	1.1
411.32809	1.0
418.75952	1.3
437.18234	1.3
452.18933	6.5
469.31793	1.3
487.32938	53.5
488.33179	7.5
495.55261	1.2
505.33932	16.2
506.34393	1.9
531.28210	4.2
547.24103	52.6
547.34326	3.3
548.24493	11.0
548.32349	1.5
591.25531	3.8
592.22894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	0.1
57.45497	0.1
59.01264	1.6
61.84926	0.1
61.98705	0.4
69.37318	0.5
69.37743	0.4
71.01271	1.0
72.99203	0.1
73.02831	0.4
75.00765	0.3
77.46750	0.1
78.95799	2.4
79.95628	2.4
83.01238	0.2
85.02838	0.7
87.00770	0.3
88.98668	0.1
89.02338	0.7
93.03355	0.6
93.74569	0.1
95.01270	0.1
96.95917	100.0
96.96798	3.8
97.02841	0.1
97.06539	0.1
97.95845	0.3
98.02376	0.9
99.00780	0.3
101.02335	0.6
109.02869	0.1
111.00799	0.4
111.04448	0.3
113.02367	0.4
119.03470	0.2
119.04958	0.3
121.02877	0.3
125.02288	0.1
133.02870	0.1
134.03653	0.2
135.04448	0.5
137.02342	0.1
145.02870	0.1
145.15236	0.1
147.04478	0.7
149.04474	0.1
151.04077	0.1
152.01053	0.1
161.02357	0.3
161.04443	0.1
163.03969	0.2
173.04585	0.7
175.03996	0.1
178.02708	0.1
179.03419	0.1
191.05580	1.3
192.05850	0.1
193.05031	0.3
213.29381	0.1
299.02100	0.2
357.25809	0.1
531.28174	1.2
547.27997	0.6
570.16138	0.1
591.17615	0.1
591.27423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03001	0.1
52.12500	0.1
54.60376	0.1
57.03336	0.3
59.01266	0.2
71.01263	0.3
72.33853	0.1
78.95794	11.2
81.03353	1.5
83.01281	0.5
85.06504	0.3
87.04448	0.2
93.29850	0.2
96.96866	10.0
105.30717	0.1
107.01293	0.4
109.06522	0.8
111.04414	1.5
113.02350	0.2
115.40046	0.1
122.03653	0.6
125.02366	3.9
149.02379	0.5
151.00294	0.4
151.07593	14.9
152.01170	0.2
152.07973	0.7
167.03444	0.3
177.05476	0.3
191.05646	0.2
191.07236	0.2
195.06609	100.0
196.06946	5.2
219.06644	0.5
233.09505	19.5
234.09813	0.9
237.07571	0.9
300.48727	0.2
357.11984	22.9
358.12347	2.4
363.18460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2623
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.10218	3.4
70.72807	7.3
70.73137	3.6
101.49016	2.7
123.03746	3.3
126.72525	3.2
142.43611	3.0
497.23370	4.0
500.22412	7.4
515.24609	100.0
516.25037	15.4
567.47467	3.7
577.28723	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	591.304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.0
57.03329	2.2
58.00476	1.1
59.01265	39.9
60.01565	0.8
61.98720	5.9
67.01772	0.9
69.03345	2.2
69.53282	0.6
69.53606	4.8
71.01271	48.6
72.01585	0.8
72.99197	2.8
73.02838	15.3
75.00763	1.3
78.95795	1.3
81.03317	0.6
83.01273	4.4
83.52316	0.5
84.02084	0.6
85.02850	16.1
87.00790	2.9
88.98698	1.1
89.02338	41.8
90.02700	0.9
93.03352	4.0
95.01281	2.6
96.95911	2.7
97.02848	1.7
99.00783	18.2
99.04420	1.7
100.01094	0.7
101.02350	31.3
102.02661	0.9
109.02840	1.1
110.02332	0.6
111.00800	0.7
111.04408	0.9
113.02350	14.1
115.03926	0.8
117.03367	4.2
119.03429	2.8
119.04901	1.2
121.02907	0.8
123.04433	1.3
125.02361	4.3
129.01852	0.9
131.03427	7.8
132.02107	8.9
133.02844	1.1
134.03665	40.6
135.04382	3.2
137.02382	1.4
141.01694	0.9
143.03455	2.0
143.04910	0.5
145.02849	0.9
149.04489	27.3
149.05972	5.0
155.03392	0.8
155.10745	2.0
159.02887	1.7
160.01610	39.1
161.02301	3.3
161.04494	7.9
163.03928	2.0
173.04512	3.4
175.03967	59.2
176.04294	2.9
178.02647	0.8
179.03429	1.7
179.05573	1.7
191.05579	14.8
192.05974	0.8
193.05038	51.8
194.05327	3.3
199.09669	1.1
216.21429	0.6
221.06580	1.2
227.03448	1.1
227.45102	0.6
233.06721	0.9
251.07704	4.4
255.02980	2.5
283.02478	4.3
284.03314	1.7
285.04236	1.0
293.08948	1.1
311.09915	1.2
399.23987	5.1
415.15997	1.0
437.18719	0.9
531.28241	100.0
532.28546	16.0
591.20343	17.5
591.35046	0.9
592.21100	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	591.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87489	0.1
59.01264	0.7
61.98713	0.2
66.42016	0.1
69.30267	1.1
71.01273	0.2
78.95798	3.6
79.68500	0.1
79.95630	2.7
96.95917	100.0
96.96809	5.5
97.02862	0.1
97.95847	0.4
98.02371	0.3
108.18953	0.1
133.02888	0.4
135.04451	0.2
156.86646	0.1
161.02390	0.9
163.03975	0.2
179.03514	0.1
191.05586	0.3
203.19769	0.1
333.04462	0.1
377.70505	0.1
405.40451	0.1
444.31104	0.1
547.22076	0.3
591.25842	0.3
617.22467	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	589.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.03332	0.4
58.00496	1.2
59.01265	24.9
60.01606	0.3
61.98721	1.6
62.71388	0.2
69.03329	0.4
69.89415	0.2
69.89746	1.6
71.01270	19.5
72.99207	2.1
73.02835	9.4
75.00751	0.7
75.33347	0.3
83.01271	1.5
85.02840	3.5
85.06505	0.2
87.00784	1.5
89.02340	21.1
90.02663	0.3
95.01283	0.7
95.32145	0.2
97.02837	0.9
99.00780	21.9
99.77979	0.3
100.01157	0.6
101.02343	9.7
108.30023	0.3
111.00792	0.2
113.02369	3.3
115.03880	0.5
119.03397	1.3
124.01574	0.3
125.02355	1.0
131.03419	2.5
135.04366	0.3
143.03400	0.3
149.04498	2.4
161.04509	0.6
173.04459	0.4
176.96666	0.3
191.05573	4.4
223.17084	1.7
277.21790	4.1
295.22821	3.9
296.23358	0.5
319.23032	0.3
439.27014	0.9
457.28152	6.8
458.28323	1.7
511.43582	0.3
545.47113	0.3
571.30945	0.4
589.32416	100.0
590.32739	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	591.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	1.6
70.80782	0.3
71.01257	0.5
71.58822	0.5
74.32642	0.3
88.98683	0.5
93.03371	0.3
96.95909	0.9
101.02343	0.3
113.02341	0.6
121.02872	100.0
122.03198	4.0
135.04449	0.3
161.02391	0.5
191.05569	0.5
383.13800	1.5
425.14484	0.6
591.27087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05578	0.2
55.01773	0.6
55.67058	0.2
57.03334	0.6
58.00480	1.8
59.01265	100.0
60.01602	1.1
60.99195	0.3
61.98720	0.6
69.03349	0.3
69.48867	1.7
71.01270	32.2
72.99200	2.6
73.02843	1.4
75.00773	0.4
78.95811	0.5
80.91589	0.3
81.03340	0.4
81.68783	0.2
83.01270	0.8
84.02042	0.2
85.02843	5.4
87.00777	2.0
88.98711	0.9
89.02338	40.6
90.02668	0.4
93.03371	0.6
95.01279	1.8
96.95898	1.2
97.02838	0.5
99.00790	0.5
101.02345	16.8
102.02660	0.2
109.02856	0.3
111.00789	0.6
113.02358	12.4
114.02695	0.3
117.03450	0.3
119.03419	15.4
120.03747	0.6
125.02319	0.5
128.07062	0.5
131.03424	1.8
133.02881	0.8
134.03685	1.4
135.04443	1.3
143.03442	3.0
145.02864	0.3
147.04491	0.3
149.04526	1.4
160.01555	0.6
161.02405	1.8
161.04474	2.9
162.02847	0.2
163.04007	0.2
173.04434	0.7
175.03952	1.4
179.03481	0.9
179.05521	5.9
191.05602	2.3
192.06046	0.3
193.05016	1.5
198.86140	0.2
232.77452	0.2
243.02934	0.4
255.02913	0.2
271.02332	0.6
299.01855	0.7
301.03348	0.3
531.18408	0.8
531.27631	1.4
532.18878	0.3
591.19891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	15.7
61.98708	2.1
71.01274	4.5
71.59663	0.8
73.02853	1.0
83.01283	0.9
85.02820	1.4
87.00781	1.4
89.02359	4.9
96.95919	1.0
99.04371	0.7
101.02351	4.4
113.02351	2.9
113.44457	0.6
119.03373	0.9
120.05666	0.6
122.56956	0.7
133.02878	2.1
135.04430	1.5
154.11118	0.7
159.57428	0.6
161.02449	3.6
161.04491	3.9
169.86958	0.6
173.04521	1.4
179.03439	1.5
179.05554	1.3
191.05630	3.4
195.13884	8.8
196.14430	1.2
223.13387	5.8
224.13774	0.7
228.13591	1.2
253.09322	38.2
254.09709	1.6
256.13275	1.3
271.02438	3.1
275.20178	5.8
293.21295	100.0
294.21600	10.8
299.02032	5.2
300.02701	1.6
316.05392	0.7
492.21118	1.5
529.30249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.1
60.77166	0.1
70.85505	0.2
70.85844	0.2
72.99198	2.3
74.52671	0.1
75.00764	100.0
76.01097	1.2
78.95792	0.7
87.30915	0.1
136.13873	0.1
152.99512	0.5
161.02354	0.2
194.93633	0.2
197.65044	0.1
207.35120	0.1
268.97739	0.2
277.21857	0.6
279.23221	0.4
293.21283	0.2
372.18436	0.1
403.70862	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	589.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	15.7
61.98729	6.3
67.51758	1.0
71.01279	6.4
77.22414	0.9
85.02859	2.1
89.02338	4.3
96.95875	1.1
101.02345	5.7
113.02372	4.0
119.03455	1.8
143.03438	1.2
147.81772	1.0
161.04504	2.5
169.71169	0.9
179.05539	1.5
180.79860	0.9
182.35179	1.1
191.05602	1.7
195.13893	8.1
223.13380	4.8
229.87427	1.1
232.53752	1.0
253.09346	37.1
254.09587	2.3
275.20236	4.9
280.21988	1.1
293.21326	100.0
294.21658	11.2
340.72415	1.3
375.71521	1.0
492.22223	1.4
529.30310	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61834	0.2
55.01775	0.3
57.03328	0.4
59.01272	1.4
63.63651	0.3
69.03343	0.6
70.46282	0.6
71.01272	2.5
72.99203	1.4
73.02847	0.6
75.00791	0.4
83.01308	0.7
85.02843	2.0
87.00742	0.4
88.85168	0.3
89.02327	0.4
93.03350	0.6
95.01291	0.8
96.95935	0.7
99.00767	0.4
101.02351	0.8
108.02079	44.4
109.02915	7.1
113.02349	1.5
113.09624	2.2
121.02893	0.8
123.00818	0.7
123.04416	0.9
133.02882	0.7
134.03719	0.6
135.04434	1.7
137.02382	0.5
151.00314	0.3
151.03967	0.9
152.01100	78.6
153.01791	4.6
159.10228	13.7
160.10597	0.8
161.02364	0.6
161.04488	0.5
163.03949	3.7
164.04674	0.8
173.04480	0.6
175.04037	0.3
177.01941	0.8
179.03505	1.1
179.07094	0.9
187.71767	0.3
191.05624	2.0
207.03012	0.6
238.98149	0.2
263.76349	0.3
287.80338	0.3
297.06284	0.6
315.07147	0.5
327.33871	0.3
335.08145	0.3
353.08871	0.5
409.93011	0.4
428.11755	0.3
429.10458	9.6
430.10849	0.8
436.50397	0.3
447.11584	2.2
589.21503	100.0
590.21832	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	589.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.2
57.03331	0.2
58.00497	0.2
59.00991	0.3
59.01266	4.2
61.98715	0.6
63.30909	0.1
69.03339	0.7
70.80284	0.5
71.01273	5.7
71.01669	0.3
72.99193	0.4
73.02842	1.4
75.00763	0.3
78.95786	0.3
81.39868	0.2
83.01286	0.6
85.02843	1.8
86.03152	0.2
87.00796	0.3
88.98707	0.4
89.02330	3.3
93.03349	0.6
95.01290	0.3
95.04930	0.2
96.95919	2.2
96.96911	0.3
97.02855	0.7
99.00775	1.2
99.04413	0.2
101.02340	1.7
102.02766	0.2
105.03364	0.6
107.04899	0.3
108.02092	0.3
109.02872	0.2
109.96358	0.2
113.02351	1.0
115.01825	0.2
115.03933	0.5
117.03391	1.4
119.04913	0.3
123.00780	0.2
123.04445	0.5
125.02373	1.6
128.07097	0.3
131.03448	0.3
131.04926	0.3
132.02092	1.7
133.02882	30.3
133.06450	0.4
134.03590	1.3
135.04448	14.5
136.04785	0.7
137.02400	0.5
143.03438	0.2
145.02902	0.3
149.04550	0.3
158.34343	0.1
159.06622	0.2
160.01585	0.4
161.02391	100.0
162.01344	0.3
162.02733	5.0
163.03952	0.2
165.05486	0.2
173.04539	0.4
175.04056	0.2
179.03465	7.0
180.03827	0.5
191.05595	2.1
192.05876	0.3
193.04976	0.4
233.06732	0.9
241.16389	0.2
271.02548	0.7
293.08823	0.8
299.02100	0.6
308.08984	0.2
313.03641	0.7
314.04318	0.8
315.04944	0.3
427.16193	0.4
529.26721	0.6
589.19385	46.7
590.19702	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	589.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80125	0.4
55.01760	0.4
55.47626	0.4
56.40783	0.3
59.01259	1.8
63.40431	0.3
64.31709	0.3
65.65026	0.3
69.03337	0.9
71.01269	3.6
71.55106	0.8
72.99200	1.0
73.02831	1.0
78.95791	0.6
85.02826	3.2
87.00783	0.6
89.02348	0.7
93.03369	0.6
94.45021	0.4
95.01287	1.0
95.04918	6.0
96.00808	0.3
96.95925	0.7
97.02817	0.5
97.06490	24.0
98.06870	0.5
99.00777	0.9
101.02361	1.7
108.02077	53.6
109.01796	0.4
109.02899	8.1
113.02378	1.6
115.07556	5.2
119.04990	0.4
121.02864	0.7
123.00790	0.4
123.04453	0.6
130.48271	0.4
133.02896	0.7
134.03656	0.9
135.04460	1.2
137.02350	0.4
141.05470	0.5
147.04495	0.5
149.02359	0.4
151.00449	0.4
151.03963	1.3
152.01088	100.0
153.01831	4.4
155.18134	0.4
159.06575	17.5
160.06981	0.5
160.47842	0.4
161.02435	0.7
161.04485	0.9
163.03925	3.7
175.03880	0.6
177.01904	1.2
179.03491	1.3
184.38651	0.4
191.05588	2.3
193.04944	0.5
207.03012	0.6
258.67438	0.3
297.06311	0.6
315.07370	1.2
330.06448	0.4
330.24146	0.4
367.43753	0.4
429.10458	8.0
430.10852	0.8
447.11484	3.6
545.18573	2.0
589.17841	88.3
590.18115	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	587.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01614	1.2
61.98719	4.4
71.01275	7.5
71.57652	0.7
73.02850	1.5
78.95805	1.5
83.01302	1.0
85.02841	5.2
87.00781	1.7
87.04430	1.2
88.98722	0.6
89.02358	3.2
93.03359	2.7
95.01308	0.9
96.95950	1.2
96.96893	0.6
99.00776	1.3
99.04424	0.7
101.02359	4.1
101.05994	1.6
108.21495	0.5
109.02811	0.8
111.04371	0.6
111.52024	0.5
113.02370	4.1
117.03422	1.3
119.03442	0.6
119.04955	1.0
125.02357	0.9
133.02911	3.4
135.04471	2.1
143.03505	0.8
145.02887	3.8
160.01614	0.9
161.02383	6.2
161.04547	2.3
162.02888	0.7
165.98358	0.6
171.10172	0.6
173.04546	2.1
175.04018	1.4
179.03481	1.7
191.05576	25.3
192.06038	1.0
195.06613	0.7
323.25995	1.2
369.24368	0.9
413.23581	2.7
419.28412	0.8
467.30249	22.3
468.30444	3.6
485.31329	12.6
486.31836	1.5
487.16321	1.5
489.24423	0.7
527.32800	2.0
528.33795	0.7
586.86212	0.7
587.28876	2.3
588.30194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.7
57.03334	2.7
59.01265	23.1
60.01593	0.8
61.98425	0.6
61.98720	7.9
63.20656	0.3
67.01771	1.0
68.99696	1.2
69.03332	2.3
71.01270	12.7
71.04885	0.6
71.58155	0.4
72.99199	4.5
73.02827	4.3
75.00766	13.4
79.05431	0.4
81.03368	0.5
83.01279	1.4
83.04910	0.7
84.02034	0.3
85.02843	13.9
85.03362	0.7
86.03186	0.4
87.00763	4.8
89.02333	3.1
91.03888	0.5
93.03349	1.5
95.01281	3.3
96.95882	0.5
97.02867	0.7
97.06498	4.5
99.00162	0.6
99.00782	6.7
99.04357	0.3
101.02348	1.3
103.00280	1.1
105.03349	0.5
105.09180	0.6
108.02074	0.4
111.00758	1.0
113.02359	13.4
115.00279	1.1
115.03935	0.4
117.01857	2.3
119.04942	0.6
121.02834	0.6
125.02326	1.3
125.09621	0.6
129.01006	0.4
129.01862	1.2
130.81288	0.4
131.03424	0.4
133.02870	3.4
134.03619	1.0
135.04430	1.3
137.02441	0.7
137.09589	0.9
139.11243	0.5
145.02882	0.8
151.11226	0.5
155.03474	0.3
155.10724	5.8
161.02370	1.0
161.04539	0.4
163.03815	0.4
165.09151	1.2
169.12303	12.7
170.12628	1.0
173.04526	1.0
175.02420	2.1
175.03856	0.7
177.01878	1.0
178.02670	0.6
179.03461	0.6
183.10245	6.8
189.03979	0.5
191.05576	2.3
193.05035	1.1
197.11768	0.9
201.01883	0.4
203.03453	0.4
231.05138	1.0
249.06204	11.0
249.18643	2.5
250.06555	0.9
267.19595	0.8
275.09174	0.6
281.08887	0.4
293.08844	1.2
319.22812	0.8
337.23920	23.0
338.24384	2.4
412.21048	0.6
464.25537	0.4
490.11267	3.1
491.11938	0.7
543.24408	0.8
569.30127	1.8
578.56201	0.5
587.30847	100.0
588.31238	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.0
58.00489	1.0
59.01264	100.0
60.01612	0.9
60.99191	2.3
61.98719	0.9
66.06084	0.5
69.31519	5.0
69.31924	1.2
71.01272	27.4
72.99216	0.9
73.02837	23.1
74.59444	0.6
75.00770	1.6
83.01269	5.5
85.02847	6.2
86.01684	0.6
87.00794	1.4
87.04418	1.2
88.98699	17.9
89.02337	17.5
95.01299	1.9
96.95944	0.9
97.43433	0.5
99.00751	1.0
101.02352	21.5
102.02703	0.7
113.02360	20.9
119.03419	7.1
125.02406	1.3
130.26541	0.5
131.03447	1.9
133.02911	0.8
133.04582	0.5
135.49957	0.5
143.03432	3.3
149.04512	1.9
161.02444	1.6
161.04512	9.7
179.05571	10.2
179.06990	0.9
185.03537	0.5
191.05627	2.1
221.06645	0.7
276.13681	0.6
291.55792	0.6
339.25577	1.1
483.29794	5.6
501.30762	3.9
543.32135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45611	0.6
55.01757	0.7
57.03342	0.9
58.00488	1.2
59.01268	33.0
61.98722	3.8
64.49483	0.6
65.02424	0.6
69.03347	0.9
71.01276	29.0
71.58847	0.9
72.99194	2.7
73.02840	11.3
75.00790	0.7
78.52369	0.6
78.95802	1.4
83.01271	1.8
85.02846	5.9
87.00770	1.5
89.02344	28.4
90.02689	0.6
93.03359	1.6
95.01273	1.2
97.02836	1.7
99.00789	30.9
100.01128	0.9
101.02356	12.9
113.02373	4.5
119.03435	1.4
119.04936	0.9
125.02373	2.2
128.50829	0.6
129.06816	0.5
131.03439	3.8
133.02910	0.9
135.04436	1.0
137.02380	0.9
145.02893	1.4
148.28658	0.6
149.04495	6.3
161.04494	1.1
163.03880	0.8
171.10248	1.6
173.04494	1.5
187.03946	0.6
191.05585	10.0
195.13893	2.2
197.11852	1.4
207.10194	0.7
211.13365	2.7
213.14899	1.1
215.07120	1.0
223.17006	1.1
275.20190	2.2
277.21725	1.4
293.21307	3.4
377.26517	0.7
425.29193	8.8
426.29926	1.0
455.26691	2.7
467.30899	0.6
471.34991	0.8
521.25159	6.5
521.75134	2.8
522.25543	1.5
587.30865	100.0
588.31207	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	587.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84221	1.4
57.03333	2.5
59.01266	100.0
60.01594	2.7
61.01668	1.5
71.01272	29.3
71.44146	1.7
71.44477	1.5
73.02836	10.6
78.95791	5.1
83.01277	3.8
85.02837	14.5
87.00772	3.6
87.04411	5.9
89.02328	7.8
95.01295	2.7
99.00806	4.3
101.02348	15.4
105.03406	2.2
111.00759	2.4
113.02364	13.3
119.03403	4.1
125.02320	2.1
133.02878	7.9
134.03645	2.2
135.04410	1.5
148.05225	1.9
152.99542	1.9
160.01556	2.4
161.02397	3.3
161.04495	5.2
173.04553	1.4
175.03989	3.1
177.01921	2.3
191.05556	1.8
193.05025	2.7
193.98021	1.5
225.11330	1.4
254.35260	1.6
337.23727	2.1
339.25400	3.0
369.22824	4.1
395.24442	7.1
483.29752	38.2
484.30038	4.7
490.11084	6.7
501.23984	2.4
501.30756	27.1
502.31168	4.5
543.31427	4.6
556.44354	1.5
587.30426	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	587.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.2
59.01266	3.1
60.99181	0.1
61.98724	0.6
64.05372	0.1
67.01768	0.5
69.03344	0.2
69.45428	0.9
71.01265	1.2
72.99194	0.1
73.02847	0.6
75.00768	0.2
78.95799	0.2
81.03339	0.4
83.04911	0.4
83.26812	0.1
85.02844	8.8
86.03141	0.2
87.00784	1.7
88.98703	0.1
89.02336	0.2
93.03362	3.4
94.03717	0.1
95.01278	0.2
96.95956	0.2
97.02838	0.1
99.00771	0.3
99.04405	0.4
101.02338	0.2
109.02864	0.8
109.41003	0.1
111.04419	1.1
113.02354	0.4
117.03370	0.2
119.04951	0.8
125.02394	0.2
127.03936	2.2
129.01834	0.2
130.27100	0.1
132.02010	0.1
133.02904	0.6
134.03673	0.1
135.04460	0.3
137.02399	0.3
145.02872	0.7
146.03725	0.2
147.04419	0.2
148.05190	0.3
152.99486	0.1
153.01854	0.1
155.03430	0.3
161.02359	0.6
163.03954	1.1
171.02905	0.6
171.10156	0.1
173.04520	1.9
173.05972	0.2
174.03188	2.8
177.01923	0.1
179.03419	0.3
191.05588	100.0
192.05916	4.2
201.11421	0.1
207.10173	0.1
209.11836	0.3
223.17168	0.2
225.09355	0.1
249.06073	0.2
249.18631	0.2
285.24728	0.1
321.42773	0.1
337.21649	0.3
337.24139	0.3
351.07156	0.2
369.24402	1.8
370.24835	0.2
395.22314	3.0
395.27136	0.2
396.22766	0.5
413.23495	3.9
414.23874	0.6
467.30020	0.2
543.31946	0.2
587.30096	3.1
588.30176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94272	0.4
59.01275	1.7
61.98720	1.7
67.01801	0.5
69.03363	0.7
69.85493	2.4
69.85781	0.6
71.01277	1.2
78.95807	0.8
81.03349	1.2
83.04940	1.6
85.02850	2.8
86.73441	0.4
87.00779	1.2
88.63356	0.5
88.85423	0.4
91.05415	0.6
93.03354	8.8
98.20655	0.5
105.03389	1.1
105.07023	0.5
106.01492	0.4
106.04214	0.5
107.08604	0.5
108.02124	0.6
110.79896	0.4
111.04424	6.8
127.03925	1.3
129.01833	0.8
129.07027	8.5
131.01312	0.4
131.08571	1.1
133.02858	2.9
134.03654	1.4
135.04437	1.7
136.04802	0.8
137.02409	1.5
141.07036	1.2
144.05701	0.8
145.02882	0.6
145.06624	0.5
147.04422	4.2
148.05124	0.5
149.06018	1.1
155.03436	7.2
157.06496	0.6
161.02405	0.8
163.04012	0.9
167.08615	1.1
169.06564	0.9
171.11900	0.4
172.05290	1.9
173.04535	21.2
173.06023	2.3
174.04855	1.0
181.06635	0.8
181.10275	0.7
183.08104	1.2
185.06091	0.7
187.07643	5.5
191.05589	17.8
195.11749	3.6
199.07684	0.9
207.02969	0.7
208.03229	0.6
209.13348	1.7
210.14082	3.9
211.14818	2.2
212.12080	0.6
215.10727	1.0
221.09756	0.6
223.14920	0.9
225.09172	3.6
225.16478	3.3
227.14359	1.2
239.10814	5.3
240.11069	0.5
241.12323	0.6
252.11627	0.7
253.12396	7.7
254.12985	1.4
267.13959	5.2
268.14667	1.8
269.15518	1.0
277.19662	1.1
281.15540	1.1
283.17136	3.0
293.22815	100.0
294.19794	0.8
294.23114	12.4
307.17056	1.4
309.22293	18.9
310.22623	2.2
321.18423	0.6
335.20093	0.6
337.21805	53.5
338.22137	7.1
351.23349	53.1
352.23691	6.0
381.20786	2.2
412.22202	0.8
413.23380	28.3
414.23764	3.9
445.98621	0.5
489.17676	0.7
535.96509	0.5
587.28644	26.4
588.29138	4.3
594.81622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81717	0.1
57.03332	0.3
59.01263	1.2
59.73904	0.1
60.99186	0.6
61.98714	0.3
67.01782	1.7
69.03345	0.5
69.91386	0.8
71.01273	1.2
73.02822	0.3
78.95828	0.1
79.97201	0.1
80.65311	0.1
81.03349	0.5
83.04911	0.5
83.40572	0.1
85.02848	7.8
85.74234	0.1
86.03202	0.2
87.00772	3.4
87.01276	0.2
88.34420	0.1
93.03363	11.7
94.03690	0.3
94.37170	0.1
99.00785	0.4
99.04423	0.5
109.02860	0.8
110.99185	0.1
111.04436	2.0
113.02367	0.2
127.03946	1.6
129.01877	0.3
129.06979	0.2
133.02861	0.3
135.04399	0.2
137.02391	0.3
143.03362	0.2
147.04477	0.1
152.47780	0.1
153.02034	0.1
155.03423	0.5
171.02940	0.7
173.04526	6.4
187.07629	0.2
191.05592	100.0
192.05946	3.7
253.12469	0.2
267.13803	0.2
276.82581	0.1
293.22858	1.7
294.23141	0.2
309.22482	0.2
337.21814	0.6
347.17477	0.1
351.07214	0.4
351.23422	0.9
356.61417	0.1
555.26129	1.0
556.26361	0.2
587.28802	6.6
588.29370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2875
Annotation	Alternaramide
Peak:m/z	Relative Intensity
57.03333	0.5
58.45108	0.3
59.01262	2.2
60.99188	2.3
61.98709	0.7
65.03872	0.4
67.01778	6.6
69.03346	1.9
71.01273	2.7
73.02827	0.6
78.95785	0.7
81.03346	1.6
83.04906	1.3
85.02842	10.0
87.00232	0.4
87.00768	9.0
87.01277	0.5
93.03358	47.7
94.03678	1.3
95.04910	0.2
99.00777	0.9
99.04422	1.0
105.03337	0.5
109.02882	1.7
111.04436	6.9
113.02355	0.4
115.03936	0.4
117.00712	0.3
127.03928	2.9
129.01842	1.1
133.02878	3.2
135.04427	1.3
137.02359	0.7
143.03430	0.5
152.99562	0.3
155.03456	1.1
161.02422	0.6
167.08623	2.8
171.02921	0.5
173.04512	26.8
174.04868	1.4
177.01894	1.3
179.03513	0.4
181.10197	0.4
186.00221	0.3
191.05582	100.0
192.05925	3.9
215.05630	2.8
225.09183	1.4
233.18959	0.4
281.32996	0.3
293.22891	2.7
294.23203	0.4
307.08282	0.4
309.22296	1.2
311.23843	0.3
337.21835	1.2
338.22424	0.3
351.07288	8.9
351.23328	1.7
352.07614	0.8
353.66153	0.3
359.22342	0.5
381.20865	0.6
383.10074	0.6
555.26117	8.1
556.26434	1.4
587.28735	42.6
588.29095	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	587.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42294	0.9
53.99739	0.8
55.01772	1.1
57.03337	1.1
59.01265	46.3
61.98717	63.2
63.02258	1.2
67.01748	1.3
69.03347	5.7
71.01268	25.4
71.58116	1.6
72.99198	5.0
73.02824	3.3
73.67171	0.8
75.00779	4.1
78.95782	3.7
79.08548	0.7
81.03348	1.0
83.01278	3.9
83.04917	1.5
85.02845	10.9
87.00777	5.6
89.02342	22.4
91.01756	0.9
93.03356	10.2
95.01270	2.2
95.04903	2.3
96.95912	2.7
97.02848	10.1
98.03210	1.1
98.98381	0.8
101.02347	11.1
102.03388	1.9
107.04959	1.1
108.02100	1.9
109.02865	3.3
111.00794	5.4
111.04423	3.1
113.02351	11.4
117.03361	2.8
119.03432	7.0
119.04945	71.5
120.05290	4.8
121.02861	2.6
121.06506	3.3
122.03652	1.0
123.04427	0.9
123.08075	23.1
124.08427	1.0
125.02346	2.0
127.03909	1.0
127.07579	22.5
129.01849	1.6
130.08675	3.5
131.03418	1.7
131.09006	1.0
133.02834	1.3
134.03651	3.4
135.04462	2.4
137.02374	2.3
139.03896	0.9
141.01840	3.9
143.03424	3.4
145.02873	5.3
146.02411	1.3
147.04460	46.0
148.01659	0.8
148.04765	2.8
149.04498	1.3
149.06049	1.2
151.00247	2.0
152.01065	2.0
155.03419	0.8
159.04456	1.1
160.01559	1.2
161.02357	1.9
161.04552	4.5
161.09671	3.9
163.03957	96.6
163.11223	3.2
164.04297	5.7
165.05544	1.0
173.04541	10.1
173.05986	1.6
175.03943	2.3
177.01898	1.1
178.02621	1.3
179.03325	1.4
179.03972	1.1
179.05579	15.0
187.07530	1.0
191.05592	40.2
191.07141	6.7
193.04993	3.0
201.04028	11.7
202.04356	4.4
203.04532	4.2
203.10774	3.1
205.08661	8.0
206.09111	1.0
210.06825	0.9
211.07574	2.1
214.33653	0.8
221.08046	1.0
225.09286	1.4
225.11296	1.1
227.07196	2.2
235.07704	2.7
236.08136	3.2
237.08705	2.5
239.10646	0.9
243.05156	2.0
257.08215	1.2
261.06183	13.0
262.06512	7.6
263.06705	8.8
264.07553	0.8
265.08310	1.1
267.17575	1.0
281.15509	1.0
285.18600	1.7
301.18167	1.8
311.16449	2.1
323.09308	1.2
324.09598	1.0
325.09946	1.4
325.18414	0.9
327.08743	0.9
329.17731	8.9
330.18011	1.3
331.08136	2.3
331.19080	1.8
337.09521	1.3
342.11005	0.9
347.18689	51.1
348.18988	6.9
365.19757	100.0
366.20145	12.1
369.17395	1.3
375.20114	1.3
389.19724	7.9
390.20126	0.9
391.09891	2.7
407.20883	1.3
439.12546	10.4
440.12781	1.8
475.06445	1.4
501.14240	2.0
543.26129	1.9
587.16046	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92369	0.3
59.01264	6.3
59.28068	0.3
60.01604	0.3
61.98720	3.2
62.94333	0.2
69.03352	0.4
69.29382	1.8
69.29800	1.2
71.01271	3.2
71.04866	0.4
72.99197	3.2
73.02823	0.4
73.43922	0.3
75.00764	100.0
76.01097	0.9
78.95805	0.4
79.90568	0.3
85.02838	1.5
87.00778	0.9
87.82238	0.3
89.02344	2.7
93.03369	1.5
95.01279	0.4
97.02866	1.6
98.20554	0.6
99.00778	0.4
101.02340	1.3
109.02876	0.5
111.04436	0.6
113.02361	1.7
119.03405	0.8
119.04953	1.0
123.04405	0.4
123.08146	0.4
127.07567	0.5
131.03424	0.3
135.04488	0.6
137.02374	0.4
145.02917	0.6
147.04422	0.3
149.04594	0.3
151.08473	0.3
151.11363	0.3
161.04520	0.6
163.03952	1.0
163.11232	0.4
164.74152	0.3
165.05403	0.4
173.04552	1.4
173.11804	0.9
175.03833	0.3
179.05589	1.5
191.05597	5.4
191.07135	0.9
192.05910	0.4
193.04982	0.3
201.04051	0.3
205.08708	0.4
215.07231	0.3
236.07991	0.5
257.08163	0.4
261.06223	0.6
263.06778	0.5
325.18121	0.3
329.17651	0.7
331.19260	2.5
332.19739	0.4
347.18695	4.3
348.19009	0.9
349.20303	3.6
350.20639	0.7
365.19791	8.4
366.19937	0.6
389.19614	0.6
407.21133	0.5
543.30902	0.8
587.24561	1.0
588.24023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.5
56.09259	0.2
57.03327	0.7
58.48046	0.2
59.01266	3.5
61.98699	0.6
64.27918	0.3
67.31920	0.2
69.03339	0.8
69.45356	1.4
69.45772	0.5
71.01286	2.2
72.99200	32.9
73.02834	0.6
75.00769	0.5
75.96495	0.2
78.95824	0.2
83.01277	0.5
85.02851	1.7
85.79651	0.2
87.00782	0.4
87.45111	0.2
89.02331	0.8
93.03365	1.1
95.01258	0.2
97.02856	0.4
99.00757	0.6
101.02346	0.9
108.02047	0.3
109.02916	0.3
111.00829	0.3
113.02353	4.8
117.03370	1.5
119.04948	100.0
120.05275	4.4
121.02885	1.3
123.04425	0.7
131.03413	1.0
131.05019	0.2
132.05765	0.3
133.02901	1.4
134.03613	0.3
135.04442	0.3
137.02361	0.6
139.03970	0.3
145.02902	5.3
147.04468	13.8
148.04828	0.3
161.02434	0.4
161.04584	0.2
161.06055	0.3
162.03165	2.4
163.03967	71.0
164.04301	3.4
171.04640	0.2
173.04494	0.6
175.07561	0.6
177.01985	0.3
179.03458	0.6
187.03906	0.2
191.05597	1.3
193.05031	0.2
195.06627	0.3
205.05017	0.5
217.05057	0.3
219.06616	1.0
229.04959	0.3
277.07224	2.9
307.08362	1.4
325.09464	1.0
326.09711	0.2
337.09274	0.6
367.10550	0.3
381.08575	0.3
409.11176	0.3
439.12549	27.4
440.12759	2.9
483.29633	0.3
490.11288	0.6
491.11554	0.3
587.17847	12.5
588.18188	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	587.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13762	2.6
59.01266	34.9
61.98713	22.1
66.98755	2.2
71.01262	9.8
71.58644	3.0
71.59022	2.9
71.88438	2.6
72.99187	2.6
78.95801	4.9
85.02837	4.4
93.03349	6.6
96.72134	2.2
96.95910	6.3
106.20243	2.2
113.02351	4.6
114.37832	2.1
117.03365	9.1
118.81167	2.7
118.96265	2.1
119.04955	5.8
132.02130	21.6
133.02943	13.2
133.20419	2.3
134.03671	53.2
135.04192	4.3
137.02458	3.1
140.67644	2.8
145.02890	14.6
147.04457	2.3
148.05276	15.8
149.06094	4.5
158.03661	2.8
159.04436	2.5
160.01628	90.1
161.02333	3.9
163.03870	5.5
163.07611	7.2
173.04507	6.0
173.05972	5.2
174.03162	2.6
175.03973	100.0
176.04263	5.1
187.03897	2.6
187.98883	2.6
191.05592	14.0
193.05046	62.6
202.02690	4.4
207.10362	3.0
211.13361	3.0
217.05138	15.2
379.10385	16.0
425.29108	7.7
490.11185	5.9
543.19000	26.2
543.31775	4.1
544.18988	5.7
573.33960	2.7
587.29456	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	587.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13762	2.6
59.01266	34.9
61.98713	22.1
66.98755	2.2
71.01262	9.8
71.58644	3.0
71.59022	2.9
71.88438	2.6
72.99187	2.6
78.95801	4.9
85.02837	4.4
93.03349	6.6
96.72134	2.2
96.95910	6.3
106.20243	2.2
113.02351	4.6
114.37832	2.1
117.03365	9.1
118.81167	2.7
118.96265	2.1
119.04955	5.8
132.02130	21.6
133.02943	13.2
133.20419	2.3
134.03671	53.2
135.04192	4.3
137.02458	3.1
140.67644	2.8
145.02890	14.6
147.04457	2.3
148.05276	15.8
149.06094	4.5
158.03661	2.8
159.04436	2.5
160.01628	90.1
161.02333	3.9
163.03870	5.5
163.07611	7.2
173.04507	6.0
173.05972	5.2
174.03162	2.6
175.03973	100.0
176.04263	5.1
187.03897	2.6
187.98883	2.6
191.05592	14.0
193.05046	62.6
202.02690	4.4
207.10362	3.0
211.13361	3.0
217.05138	15.2
379.10385	16.0
425.29108	7.7
490.11185	5.9
543.19000	26.2
543.31775	4.1
544.18988	5.7
573.33960	2.7
587.29456	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	586.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86996	0.2
57.03341	0.2
59.01267	6.8
60.01611	0.5
61.98719	100.0
62.98420	0.3
65.03872	0.1
67.01772	0.2
69.03340	1.9
70.03693	0.3
71.01273	1.0
72.01607	0.2
72.99214	0.3
73.02837	0.5
75.00767	0.5
78.95802	0.2
81.03360	0.4
83.01298	0.7
83.04958	0.3
84.01608	0.1
85.02858	1.3
87.00784	0.9
88.98711	0.2
89.02352	0.6
91.01813	0.2
93.03369	1.2
95.01296	0.3
95.04933	0.4
96.95930	0.4
97.02852	2.2
98.00045	0.2
98.03210	0.4
101.02357	0.7
108.02083	0.3
109.02868	0.5
111.00808	2.7
111.04472	0.5
112.01131	0.5
113.02374	0.5
115.00288	0.2
115.05462	0.2
117.03399	0.2
119.04933	1.4
120.05309	0.2
121.02908	0.3
122.03731	0.3
123.04462	0.5
124.04805	0.2
125.02400	0.3
127.03972	0.2
129.01869	0.4
130.08672	2.3
132.02106	0.2
133.02914	0.2
134.03654	1.2
135.04523	0.8
137.02406	0.4
139.03923	0.2
141.01871	1.5
142.02260	0.3
145.02913	0.8
146.03275	0.3
147.04443	1.1
149.04488	0.2
151.04073	0.2
152.01146	0.2
153.78134	0.2
155.03531	0.2
159.04375	0.2
160.01692	0.3
161.02318	0.5
161.04494	0.2
163.03955	1.8
164.04320	0.3
171.02948	0.2
173.04529	1.5
173.05922	0.2
175.03966	0.4
176.04376	0.2
177.01950	0.2
178.02628	0.2
179.03395	0.4
187.03949	0.2
187.07687	0.8
191.05586	3.1
192.05917	0.3
193.05008	0.8
194.05470	0.4
201.04039	6.5
201.05899	0.3
202.04385	2.7
203.04747	0.2
206.99886	0.5
210.06876	0.7
211.07343	0.6
213.09335	0.3
215.07152	0.8
219.05064	0.3
223.09814	0.3
224.09979	0.2
225.09175	0.8
226.09586	0.5
228.04187	0.2
231.10289	0.2
231.65933	0.1
235.07712	1.1
236.08304	1.8
237.08829	1.1
238.09825	0.3
243.05092	0.2
244.05602	0.2
251.10956	0.2
252.11424	0.2
257.08304	0.8
261.06210	8.3
262.06543	4.4
262.09216	0.3
263.06744	0.7
264.07886	0.5
265.08408	0.5
269.04828	0.1
275.09430	0.2
280.10757	0.4
309.07690	0.2
323.09317	0.7
324.09625	1.0
325.18185	1.2
341.10373	0.3
342.10880	0.6
351.16617	0.2
369.17130	1.8
386.15387	0.2
395.15201	0.6
439.12753	0.2
449.14389	0.2
508.25214	0.2
526.35596	0.7
527.24872	0.2
542.26215	1.6
543.27020	0.3
586.16376	0.6
587.21051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01608	1.1
61.98698	0.4
70.60975	0.6
71.01265	3.8
71.42377	0.2
73.02831	1.6
75.78584	0.2
76.19394	0.2
83.01275	0.7
85.02837	1.6
87.00766	0.4
89.02337	2.5
93.03362	0.4
95.01305	0.4
96.95903	3.2
99.00813	0.3
101.02360	3.1
106.82346	0.2
107.56580	0.2
109.02856	0.4
113.02351	4.1
116.92809	0.2
119.03396	1.1
133.02913	0.4
135.04463	0.4
137.02422	0.3
143.03363	0.5
145.02884	0.4
161.02432	1.0
161.04485	1.7
171.09975	0.2
173.04599	0.3
179.05630	0.6
191.05606	1.2
201.11372	0.4
203.07352	0.3
237.57961	0.2
272.68945	0.2
289.58502	0.2
337.24121	0.3
423.37936	0.3
447.27673	0.4
465.28659	6.0
465.34799	0.4
466.29236	1.0
483.29684	2.5
484.30157	0.5
504.21127	0.3
525.30957	1.6
541.30627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.2
57.03342	0.4
59.01266	100.0
60.01594	0.9
61.98732	0.2
69.26035	2.2
71.01271	4.3
72.99221	0.4
73.02833	1.5
75.00775	0.3
83.01288	0.8
85.02837	1.4
87.00775	0.5
87.92007	0.2
89.02339	2.3
91.64160	0.2
93.03373	0.4
95.01307	0.5
96.95933	0.5
97.02825	0.4
99.00778	0.2
101.02351	3.5
109.02892	0.3
113.02372	3.3
117.03356	0.2
119.03381	1.0
119.04993	0.2
121.02861	0.3
121.43968	0.2
125.02366	0.3
127.07578	0.9
127.72449	0.2
131.03456	0.5
133.02884	0.5
133.88084	0.2
135.04497	0.5
136.04419	0.2
139.11209	1.3
143.03490	0.7
145.02969	0.2
149.04555	0.4
161.02402	1.1
161.04510	2.0
173.04538	0.5
177.01913	0.2
179.03728	0.2
179.05658	0.7
183.10280	0.2
187.83890	0.2
191.05618	1.4
191.07172	1.0
195.06760	0.2
201.11333	1.7
205.08752	0.9
221.08223	0.2
252.23970	0.2
275.64972	0.2
282.51263	0.2
299.52301	0.4
300.79318	0.2
313.18121	0.5
321.24609	0.5
326.84286	0.2
331.19138	0.9
345.20782	6.7
346.21066	0.9
363.21902	4.2
364.22339	0.6
380.55038	0.3
465.28711	1.7
481.27844	0.5
483.29803	2.7
499.29449	0.3
525.30939	2.7
526.31549	0.6
541.30194	2.3
542.30811	0.4
585.17175	0.2
585.28180	1.2
586.26520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.2
59.01264	100.0
60.01599	0.8
60.99187	0.2
61.66873	0.2
61.98717	0.4
69.03354	0.3
70.19695	0.5
71.01269	5.1
72.99210	0.3
73.02832	5.8
75.00772	0.2
76.19096	0.2
83.01273	2.3
85.02843	1.2
87.00799	0.6
88.98716	0.6
89.02346	1.6
89.23264	0.2
90.81466	0.2
93.03343	0.9
95.01296	0.4
95.42944	0.2
96.95922	1.1
97.02821	0.3
99.00784	0.2
99.04415	0.2
101.02339	8.1
102.02694	0.2
103.06487	0.2
109.02895	0.2
113.02355	3.5
116.92777	0.3
117.03355	0.2
119.03417	1.1
121.02792	0.2
125.02355	0.3
131.03433	1.0
132.02129	0.2
133.02908	1.2
134.03670	4.3
135.04440	0.8
137.02364	0.4
143.03442	0.9
145.02934	0.5
147.02974	0.2
149.04465	1.5
152.41260	0.2
155.03439	0.3
161.02409	2.0
161.04485	2.6
165.05672	0.2
173.04591	0.5
176.99335	0.2
177.01950	0.3
178.02673	0.2
179.03535	0.5
179.05643	0.3
183.00725	0.3
189.01668	3.8
190.02153	0.2
191.05582	3.8
192.05899	0.2
201.01671	16.9
202.02003	1.1
203.05540	0.2
221.06689	0.9
335.07635	0.2
337.24066	0.3
459.20551	0.5
465.28763	0.6
483.30008	0.5
484.30505	0.3
499.19666	6.0
500.20355	0.8
525.31128	0.3
541.20990	0.6
543.18610	0.7
554.23499	0.2
585.18304	0.2
585.28882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38619	0.3
57.03340	3.5
59.01265	19.5
60.01585	0.6
61.98687	0.6
67.01759	1.0
68.99693	1.4
69.03336	4.1
71.01267	11.4
71.04900	1.3
72.01586	0.3
72.99192	3.4
73.02829	2.1
75.00762	12.9
76.01090	0.3
81.03339	0.7
83.01265	1.0
83.04930	1.7
85.02841	14.5
85.06480	0.5
87.00765	7.1
89.02334	3.2
91.03889	0.7
93.03345	1.8
95.01280	3.8
95.04933	0.4
96.95914	3.7
96.96797	0.3
97.02840	0.7
97.06473	0.6
98.19772	0.6
98.95492	1.5
99.00774	6.8
99.04407	0.8
99.92490	0.9
101.02343	1.3
103.00262	1.3
103.64653	0.3
107.04899	0.9
109.02833	0.7
111.00790	1.0
111.04431	0.5
113.02355	15.6
114.02676	0.6
115.00269	1.6
115.92025	1.9
116.92009	0.6
116.92773	7.4
117.01851	1.9
117.92820	0.4
119.08577	3.9
121.06517	0.6
125.09613	0.9
129.01828	1.4
133.02881	0.4
134.03664	0.4
135.04475	0.3
135.08014	0.5
137.09648	12.6
138.09982	0.6
147.04414	0.8
149.06038	0.3
153.09128	1.5
153.12772	0.6
155.37923	0.4
157.01350	0.6
161.02374	0.6
163.03967	0.7
173.04448	0.6
175.02402	1.3
175.03888	0.6
181.08656	2.4
189.04013	0.5
191.05586	1.9
193.04916	0.5
195.06590	1.2
201.04063	2.6
203.18092	0.4
219.06598	0.3
229.83838	0.3
231.05122	1.3
249.06181	14.7
250.06525	0.8
265.18216	0.4
267.07266	4.8
273.22366	0.3
317.21124	0.5
323.09113	0.3
331.19531	0.4
335.22342	12.5
336.22562	1.3
349.09470	1.4
541.17096	0.5
567.28326	1.4
585.29285	100.0
586.29590	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	585.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.6
56.04150	0.4
58.00490	0.5
59.01266	82.0
60.01608	0.6
61.98708	0.8
63.06810	0.4
69.03346	0.7
69.43070	4.1
71.01266	8.6
72.99197	0.6
73.02848	1.3
75.00778	0.9
83.01306	0.9
85.02861	3.1
87.00787	1.0
89.02343	7.3
93.03368	0.7
95.01290	1.2
96.95936	1.1
97.02854	3.3
101.02343	4.9
109.02957	1.0
113.02350	8.5
116.92822	0.7
119.03443	2.6
127.07574	10.7
128.07901	0.6
133.02844	0.5
135.04468	0.9
137.02373	0.7
139.11221	1.4
143.03401	0.6
147.08101	0.8
161.02399	1.6
161.04518	2.4
161.09692	0.7
163.11279	0.6
165.05556	1.0
165.09137	0.8
177.09366	0.4
179.03471	0.5
179.05576	1.9
191.05600	1.6
191.07111	17.3
192.07426	0.8
201.11389	1.2
205.08705	12.4
206.09338	2.0
207.10222	1.2
221.08124	2.5
269.19186	0.7
285.18716	1.1
298.10129	0.5
313.18195	10.4
314.18375	1.0
343.22855	1.1
345.20779	100.0
346.21075	12.0
359.22470	0.6
363.21860	74.3
364.22208	7.5
377.23520	0.7
387.21964	4.2
388.21991	0.6
405.23004	3.0
435.24435	0.6
465.28699	1.5
483.29581	0.8
525.30701	0.8
585.24731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	3.5
61.98701	1.0
64.92793	0.3
67.81637	0.3
71.01272	1.5
71.04899	1.1
72.99191	5.7
73.99553	0.3
75.00764	100.0
76.01102	1.4
80.29180	0.3
85.02856	0.6
89.02353	1.2
95.04951	0.6
97.02880	1.8
98.20586	0.6
101.02348	0.9
105.92026	0.4
109.02861	0.4
113.02328	0.5
119.03448	0.4
121.02819	0.3
121.06532	0.7
123.08099	2.1
127.07547	0.3
164.50708	0.3
179.05609	0.5
189.09203	1.2
191.05582	0.5
205.08597	0.7
229.64563	0.3
263.12866	0.7
277.14566	0.3
283.17154	0.5
303.16107	1.2
303.19415	0.4
319.19400	0.5
327.16190	0.5
329.17691	3.9
330.17926	0.7
345.17105	5.5
346.17581	0.8
347.18713	9.5
348.19131	1.4
363.18216	7.0
364.18613	0.9
365.96405	0.3
387.18378	1.3
405.19073	0.7
585.25171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03270	0.7
59.00858	2.1
59.01161	56.3
59.01685	2.4
60.01542	0.6
60.99088	3.8
61.98637	1.4
61.98915	0.8
71.01157	11.3
71.01596	2.1
71.60886	0.8
72.30721	0.5
72.99087	33.7
72.99546	5.6
73.02749	1.1
75.00649	3.2
80.72813	0.5
83.01188	1.2
85.02728	5.7
87.00674	1.5
87.01167	0.6
88.98578	27.3
88.99194	3.0
89.02215	15.9
89.02828	1.4
89.98919	3.0
90.02598	1.1
90.98994	4.6
91.00141	11.4
91.00754	1.2
93.03275	0.8
95.01155	2.0
95.01725	0.6
97.02740	7.0
97.06336	0.6
99.00668	0.7
99.04266	0.6
101.02222	6.5
109.02775	1.1
113.02222	12.6
119.03268	6.1
127.07572	14.6
127.09003	0.7
131.03328	0.8
137.05768	0.7
143.03345	0.8
146.07245	0.8
161.04344	2.7
165.05476	1.1
165.09093	0.8
178.40175	0.6
179.05574	3.2
189.12712	1.2
191.05571	2.0
191.07114	17.0
192.07405	1.1
203.14249	1.3
205.08693	13.0
206.09038	1.8
207.10133	1.7
221.08109	2.2
249.06155	1.4
252.93839	0.9
269.19077	1.8
283.16937	0.8
285.18646	1.8
313.18198	25.0
314.18549	3.6
331.19205	2.9
343.22842	1.4
345.20795	88.9
346.21136	10.9
363.21890	100.0
364.22250	13.0
369.21255	0.7
387.21979	6.1
388.21786	0.7
405.23264	4.3
421.95801	0.6
447.23520	1.5
585.29474	6.9
585.38116	0.9
586.30005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64655	0.3
57.03360	0.6
59.01267	39.1
60.99190	2.1
61.98716	4.5
65.03870	0.7
67.01772	0.7
69.03343	3.1
71.01266	3.3
71.59579	0.4
72.99217	1.1
73.02854	1.0
75.00770	0.9
77.03882	0.6
81.03346	0.6
83.01275	1.9
83.04928	0.9
85.02843	2.9
87.00776	7.4
88.00305	0.8
88.98700	11.3
89.02343	3.7
93.03353	4.4
93.03904	0.3
95.01302	0.8
95.04933	3.1
96.95939	1.5
97.02863	3.3
99.00821	0.9
99.04391	0.4
101.02370	1.1
106.04214	0.4
108.02085	0.6
109.02870	1.4
110.68883	0.3
111.00798	4.9
111.04460	1.2
113.02362	1.0
113.05994	0.4
115.05480	0.3
116.92804	0.4
117.03419	0.6
119.03512	0.3
119.04964	1.6
121.02859	3.5
121.03562	0.4
122.96239	0.4
123.00784	0.3
125.02396	0.6
125.63793	0.3
127.03909	0.4
129.01863	2.6
132.02084	2.3
133.02911	2.6
134.03668	66.4
135.04094	2.6
137.02380	10.6
138.02893	0.4
139.03947	4.2
141.01846	1.9
147.04457	33.2
148.04782	1.9
149.02359	0.5
149.06026	19.8
150.03166	1.4
150.06396	0.9
151.03928	0.5
152.01085	0.5
153.01868	0.5
155.03502	0.6
155.10704	0.9
157.04961	0.5
160.01608	11.4
161.02402	2.3
163.03970	1.2
165.05440	0.4
165.07045	0.6
173.04558	1.9
175.03964	19.1
176.04367	1.2
178.02681	35.0
179.03160	3.0
183.02979	7.0
187.07492	0.4
191.03915	0.6
191.05588	6.3
191.07303	0.3
192.05965	0.3
193.05042	100.0
194.05380	5.5
195.06566	0.4
201.04031	42.3
202.04399	1.7
211.07486	0.4
219.05113	3.0
221.09726	0.8
222.06807	0.5
223.07637	2.0
234.07053	0.4
235.07831	1.6
236.08368	1.0
237.09225	6.4
238.10004	30.5
239.10489	3.8
243.05148	11.4
244.05467	0.5
249.09332	2.1
250.09619	0.4
251.10809	8.6
252.07916	0.5
252.11261	0.8
253.08670	1.1
253.12386	13.8
254.12660	1.1
261.06204	13.6
262.06516	0.8
264.07904	0.9
267.10345	1.5
279.10251	2.1
280.40286	0.4
283.09830	0.6
283.66354	0.3
286.45990	0.3
297.11380	8.5
298.11661	1.0
331.08334	13.0
332.08466	1.3
337.09271	0.4
341.10376	15.9
342.10605	1.1
365.10242	0.6
377.08795	1.2
383.11285	0.5
391.10440	32.0
392.10785	3.5
419.20200	0.6
424.47754	0.3
437.10986	14.3
438.11218	2.1
481.15134	8.4
482.15536	1.4
499.15762	0.9
507.24283	1.1
541.17310	10.6
542.17755	2.0
543.14917	0.5
585.16046	11.5
585.26563	1.1
586.16345	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	585.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.8
57.03330	0.4
59.01264	51.1
60.01606	0.4
60.99175	0.8
61.98705	0.5
62.60041	0.3
63.02295	0.5
65.00211	3.6
65.03847	0.9
67.01775	0.7
68.99703	0.4
69.03342	14.0
69.92028	1.2
69.92439	0.8
70.03674	0.3
71.01277	6.7
72.99188	0.5
73.02831	1.0
75.00747	0.4
77.03866	0.8
80.02618	0.4
81.03353	2.3
83.01279	4.6
83.04917	1.3
84.02061	0.3
85.02845	2.6
87.00771	9.3
88.98705	4.0
89.02343	0.7
91.01794	14.9
92.02123	0.7
93.03361	3.2
95.01285	2.0
95.04937	3.2
96.95931	0.4
96.99210	5.7
97.02853	13.5
98.03233	0.4
98.19870	0.4
99.00780	0.5
99.04413	0.5
101.02366	0.7
108.02081	5.7
109.02881	3.2
111.00792	19.4
111.04457	2.0
112.01113	0.6
113.02367	1.1
113.06007	0.3
115.00293	8.0
115.03888	0.4
115.05452	4.6
117.03378	1.6
117.07031	0.3
119.05020	0.4
121.02869	1.7
122.03657	0.5
123.00818	1.4
123.04443	33.7
124.01604	2.2
124.04762	1.2
125.02391	0.4
129.01855	3.0
132.02112	0.5
133.02872	0.8
134.03676	3.2
135.04485	0.5
137.02385	0.4
139.00273	0.6
139.03912	2.2
141.01869	11.6
142.02097	0.3
143.04912	0.7
145.02899	2.9
146.03667	3.9
146.40866	0.3
147.04468	2.0
148.01619	1.1
149.02370	0.8
149.05972	0.6
150.03148	1.5
153.01912	0.5
153.05490	0.5
155.03458	0.3
157.04999	2.4
158.03726	0.7
159.04472	3.1
160.01645	1.8
160.05154	0.3
161.02333	1.3
161.06004	1.5
163.03946	3.0
164.04677	0.7
165.05539	1.2
167.03485	0.6
171.02960	0.5
173.02402	0.8
173.06010	1.2
175.03987	1.3
176.04143	0.4
177.05620	0.3
178.02676	0.4
179.07069	0.7
180.32680	0.3
183.02968	2.2
187.03995	1.9
188.04688	0.5
191.05548	1.4
193.05087	2.1
195.06618	0.7
201.04028	100.0
202.04355	4.9
202.06104	0.5
207.08156	0.6
210.06863	18.1
211.07359	1.6
213.49078	0.3
219.05090	8.8
219.08141	2.8
220.08592	0.4
221.06149	0.9
222.06886	2.8
223.07635	0.9
225.09215	12.0
226.06369	0.6
226.09630	1.1
234.06853	2.1
235.07657	35.9
236.08401	21.2
237.09119	4.7
238.09979	3.8
239.10686	1.6
243.05142	23.7
244.05444	1.2
245.06151	0.5
246.06816	0.4
247.07646	4.2
248.08237	0.6
249.05806	0.5
249.09142	1.9
251.10835	6.8
252.08238	0.3
252.11157	0.8
253.12350	6.5
254.12724	0.6
261.06207	98.1
262.06522	5.9
263.07190	12.1
264.07953	30.0
265.08395	4.0
278.06128	0.5
279.10333	26.5
280.10699	2.8
291.06766	0.4
293.08426	0.3
295.09869	1.0
297.11380	0.9
308.06946	2.7
323.09314	41.0
324.09604	4.9
339.12491	0.5
341.10370	39.1
342.10632	3.7
359.06277	6.7
360.06555	0.5
365.10370	1.7
383.11465	0.5
405.12091	0.5
481.14908	0.7
481.28082	0.3
499.16675	0.6
525.14117	0.4
537.21600	0.6
541.17480	2.6
541.30414	1.0
542.16937	0.5
543.15259	1.0
585.16266	13.8
586.16431	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	585.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03337	0.8
59.01265	44.3
60.01600	0.3
60.99191	2.6
61.98710	1.3
65.03851	0.8
67.01778	0.6
69.03349	3.6
69.27384	2.2
71.01274	3.0
72.99201	0.9
73.02834	1.0
77.03864	0.7
81.03342	1.4
83.01269	2.1
83.04948	0.6
84.02123	0.3
85.02843	3.8
87.00773	8.2
88.00309	1.1
88.01137	0.3
88.98702	15.9
89.02341	3.8
91.01756	0.3
93.03355	4.3
95.01308	1.1
95.04924	2.9
96.00328	0.2
96.95915	0.7
97.02859	4.2
98.00010	0.3
99.04421	0.5
101.02367	1.0
103.05443	0.2
106.04153	0.9
108.02095	0.6
109.02853	1.6
111.00800	5.9
111.04424	1.0
113.02370	0.6
113.06027	0.5
115.05514	0.3
115.92010	0.3
117.03345	0.5
119.04943	2.1
121.02874	3.8
123.00800	0.3
123.04433	0.3
129.01857	2.5
132.02095	2.4
133.02896	3.1
134.03670	75.8
135.04097	2.6
136.05153	0.2
137.02379	10.4
138.02786	0.3
139.03952	4.8
141.01889	2.5
141.07025	0.3
145.02902	0.7
147.04459	36.2
148.04773	2.0
149.02385	0.8
149.06024	21.4
150.03207	1.2
150.06383	1.0
151.03946	0.5
153.01863	0.3
157.05019	0.6
157.08656	0.3
160.01613	14.4
161.02182	0.8
161.05910	0.4
163.03943	0.7
165.01883	0.3
165.05630	0.4
173.04581	1.3
173.05882	0.3
175.03966	20.0
176.04372	1.0
178.02676	38.9
179.03119	2.6
183.02966	6.4
184.03210	0.2
191.05603	3.8
191.07133	0.4
192.05859	0.4
192.07541	0.2
193.05042	100.0
194.05363	5.6
201.04030	44.9
202.04361	1.6
211.07494	0.3
215.07317	0.3
219.05101	3.5
221.06163	0.2
221.09709	0.7
222.06850	0.7
223.07677	1.9
225.09183	0.4
229.01370	0.3
233.06601	0.2
234.06903	0.4
235.07819	1.7
236.08397	1.5
237.09221	6.8
238.10005	33.1
239.10524	4.4
240.11153	0.3
243.05125	11.5
244.05513	0.6
249.09212	2.0
251.10808	7.9
252.07930	0.4
252.11351	0.8
253.08636	1.2
253.12386	15.3
254.12735	1.4
261.06213	13.1
262.06616	0.7
264.07925	0.8
267.10352	1.3
279.10336	2.0
283.09741	0.4
285.11334	0.3
297.11386	8.5
298.11761	0.8
303.07324	0.4
323.09363	0.3
331.08347	13.0
332.08701	1.2
341.10391	15.5
342.10635	1.7
345.17130	0.7
363.18237	0.8
377.08789	0.8
383.11615	0.6
384.27075	0.3
391.10452	29.0
392.10684	3.6
395.09686	0.3
437.10995	12.3
438.11377	1.8
444.13153	0.2
481.15109	8.8
481.22198	0.5
482.15411	1.5
499.16028	0.4
507.24814	1.4
541.17291	9.6
542.17584	1.6
543.15021	0.5
585.16302	11.2
585.25555	0.6
586.16504	2.2
603.22510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24578	0.2
54.32441	0.2
55.01771	0.3
56.52057	0.2
56.73899	0.2
57.03344	0.5
57.30658	0.2
58.00480	0.2
59.01268	8.9
60.01594	0.4
61.98719	100.0
62.98418	0.3
62.99139	0.2
63.22371	0.2
63.99139	1.3
67.01743	0.2
69.03336	0.2
71.01276	4.7
71.60352	0.2
72.01620	0.4
72.99216	0.6
73.02832	1.5
75.00777	0.6
78.95803	0.9
82.83049	0.2
83.01301	0.7
83.04932	0.2
85.02847	2.3
86.03206	0.3
87.00779	1.0
88.98748	0.3
89.02335	1.5
93.03364	1.3
95.01295	0.4
96.95937	0.5
96.96866	0.4
97.02833	0.2
97.06490	0.2
99.00803	0.8
99.61095	0.2
101.02355	3.3
102.02706	0.5
108.02066	0.2
109.02863	0.2
111.00787	0.3
111.04444	0.5
113.02367	1.8
114.02755	0.2
116.92773	0.5
117.03402	0.3
119.03437	0.6
119.04927	1.0
121.02848	0.2
123.08018	0.2
129.01851	0.4
133.02892	0.5
134.03667	0.8
135.04454	1.0
137.02397	0.5
145.02939	0.6
147.43401	0.2
152.01056	0.2
155.03516	0.3
159.02989	0.3
159.06572	0.2
161.02422	0.6
161.04454	0.8
163.03966	1.2
165.04112	0.2
173.04524	1.8
175.03958	0.4
178.02606	0.3
179.03442	0.6
179.05615	0.3
185.02257	0.2
191.05585	3.6
192.05907	0.3
193.04945	0.9
201.04031	0.2
211.07690	0.4
255.03038	0.3
258.87201	0.2
261.06329	0.3
285.04340	0.3
345.17053	0.2
347.18771	0.2
361.29602	1.4
362.30084	1.2
367.48840	0.2
498.27737	0.4
522.33813	0.2
523.34924	2.0
524.35266	8.3
525.35718	0.9
539.28845	0.4
540.29132	8.3
541.29712	1.2
585.22565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46379	0.1
57.03349	0.1
59.00961	0.1
59.01266	4.1
61.98719	100.0
62.98422	0.1
62.99123	0.1
69.03338	0.7
69.31850	1.0
71.01274	1.2
72.99220	0.3
73.02843	0.3
75.00742	0.2
78.95818	0.4
80.07520	0.1
81.03355	0.1
83.01309	0.3
83.04928	0.2
84.07653	0.1
85.02845	0.8
87.00774	0.8
87.04424	0.3
88.98711	0.3
89.02362	0.4
89.88921	0.1
90.02695	0.1
91.01817	0.2
93.03368	1.1
94.03750	0.1
95.01292	0.2
95.04937	0.2
96.95930	0.4
97.02860	0.7
98.20576	0.2
99.00814	0.3
101.02359	0.7
108.02105	0.3
109.02873	0.4
111.00798	1.0
111.04468	0.2
113.02388	0.4
116.92783	0.2
117.03391	0.3
119.04948	0.8
120.05298	0.1
121.02886	0.4
122.03632	0.1
123.04451	0.3
125.02440	0.1
132.02098	0.1
133.02895	0.3
134.03664	0.6
135.04472	0.7
136.01588	0.2
137.02399	0.4
141.01860	0.7
141.31277	0.1
143.03497	0.1
145.02887	0.7
146.03552	0.1
147.04488	0.3
148.01651	0.1
149.02426	0.1
149.04544	0.1
149.06055	0.2
151.03987	0.4
153.01906	0.2
155.03506	0.3
158.03607	0.1
159.04465	0.2
160.01627	0.5
161.02438	0.5
161.04570	0.2
163.03976	0.9
164.04337	0.3
173.04578	0.8
173.05940	0.2
175.03989	0.5
176.04314	0.2
178.02731	0.2
179.03493	0.4
189.91891	0.1
191.05583	2.5
192.05981	0.2
193.05031	0.6
201.04039	2.7
210.06815	0.5
211.07735	0.2
213.09200	0.1
219.05197	0.1
225.09277	0.4
226.06398	0.2
229.01512	0.2
235.07689	0.9
236.08405	0.5
241.08792	0.2
243.05150	0.1
251.10880	0.1
261.06198	4.5
263.07211	0.2
264.07962	0.5
268.68857	0.1
279.10345	0.2
299.02124	0.1
300.50253	0.1
323.09357	0.7
337.09515	0.1
341.10422	0.6
353.09534	0.1
369.64926	0.1
373.09967	0.1
422.08044	0.1
499.29330	0.5
523.34991	0.3
524.13092	0.1
524.35107	1.5
525.26880	0.1
525.35681	0.2
541.30322	1.8
554.85211	0.1
584.15045	0.1
585.16382	0.3
585.24603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01885	0.7
55.01764	2.3
57.03342	4.1
58.00480	1.9
59.01264	50.0
60.01603	0.8
61.98719	46.1
69.03350	1.3
69.28096	0.7
70.28285	2.5
70.28632	0.7
71.01271	35.4
72.01576	0.7
72.99212	5.4
73.02839	10.3
75.00755	1.1
78.95792	1.9
81.83572	0.6
82.20286	0.7
83.01285	6.0
85.02840	15.6
87.00768	7.9
87.04434	0.9
87.66918	0.7
89.02338	13.5
90.02674	0.7
93.03364	5.7
95.01299	3.0
96.09398	0.8
96.95914	8.9
97.02854	1.3
98.95490	0.8
99.00795	4.2
101.02348	25.2
111.00764	2.1
111.04442	1.1
113.02365	13.3
116.92776	0.9
119.03435	5.8
119.04944	6.2
121.02907	1.5
123.08133	0.8
125.02391	1.4
129.01840	0.9
134.03653	2.0
135.04422	1.5
137.02402	1.0
139.00323	0.7
143.03421	1.5
145.02887	4.7
159.02977	1.7
159.61136	0.7
160.01590	2.3
161.02441	1.5
161.04529	7.9
163.03973	5.1
171.13852	1.5
173.04547	4.8
175.03961	1.9
178.13045	0.7
179.03484	1.2
179.05551	2.6
187.13377	0.7
191.05580	12.6
191.07161	1.5
192.05899	0.8
193.05013	1.8
193.08519	0.9
194.12093	0.8
201.14998	2.1
205.08618	0.9
226.06497	0.7
255.03123	0.9
283.02374	1.0
315.25424	1.1
316.75055	0.8
327.03735	0.7
329.17636	1.4
331.19174	1.6
347.18643	0.9
359.28128	2.4
361.29681	33.4
362.30084	4.5
407.15640	1.4
419.60544	0.8
497.27679	1.1
523.34998	100.0
524.35297	15.9
539.28827	24.7
540.29016	4.2
583.14783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.6
57.03339	3.6
57.85026	0.4
58.00462	1.3
59.01267	40.1
60.01608	0.9
61.98721	9.0
67.01760	0.5
68.99728	0.4
69.03340	1.1
69.45135	1.0
69.45534	3.8
71.01273	25.6
72.99194	1.9
73.02841	6.7
74.34018	0.4
75.00756	1.0
78.95800	1.7
81.03335	0.8
83.01284	3.6
83.04931	0.8
85.02850	11.8
87.00771	6.1
89.02340	10.4
93.03367	4.6
95.01292	2.4
96.95903	1.8
97.02863	0.9
98.95495	1.1
99.00783	3.3
101.02349	17.1
103.50655	0.4
109.02831	0.6
110.50648	0.4
111.00789	2.7
111.04423	1.1
113.02359	10.3
114.02718	0.5
115.05386	0.6
117.03399	4.4
119.03443	3.8
119.04926	8.3
120.05268	1.0
121.02888	3.9
122.03680	2.9
123.04384	0.6
124.01537	0.6
125.02314	0.8
127.11161	0.4
129.01898	2.1
132.02121	2.2
133.02863	1.3
134.03680	8.5
134.53990	0.5
135.04466	2.5
136.01593	2.9
137.02362	1.9
139.03915	0.6
143.03371	0.9
143.04964	10.8
144.05284	1.0
145.01826	0.9
145.02898	13.3
147.04465	1.0
149.02391	7.0
149.04543	0.6
149.06023	2.5
150.03178	22.7
151.00246	0.9
151.04005	3.4
151.65985	0.4
152.01083	0.6
155.03505	0.6
158.03731	2.5
159.02951	1.7
159.04332	0.6
160.01611	8.2
161.02338	1.8
161.04509	2.8
161.05911	1.0
163.03958	8.1
164.04680	1.5
165.05531	23.9
166.02626	2.1
166.05855	1.1
167.03377	0.7
171.13850	1.1
173.04507	1.8
173.06035	2.5
175.02513	0.9
175.03966	11.4
176.04504	0.9
177.01918	0.9
177.05553	0.6
178.02649	1.9
179.03416	1.9
180.04155	1.5
181.05011	3.1
183.02856	0.6
187.04008	3.5
187.13361	0.7
189.05547	1.1
190.06332	1.6
191.05597	6.2
191.07175	1.0
193.05019	7.9
194.05617	0.8
195.06618	14.7
195.08333	1.0
196.06984	0.9
196.65929	0.4
201.02170	0.7
201.04025	3.7
201.15002	1.0
203.05460	0.6
209.08131	1.3
217.05045	1.5
219.05084	1.3
221.87967	0.4
229.14345	0.9
248.72495	0.4
287.09088	0.5
290.63022	0.4
315.08823	0.6
327.08911	0.7
329.10333	0.6
340.47159	0.6
347.07605	0.7
357.09631	0.6
357.13574	2.8
359.28021	1.2
361.29639	9.2
362.30106	1.3
365.08820	4.5
373.13062	0.9
387.14633	7.1
388.14832	0.6
395.09909	6.7
396.10400	1.4
403.23535	0.5
451.14044	0.6
505.18906	0.8
523.34998	100.0
524.35376	17.9
524.43256	1.0
535.19910	11.7
536.20142	2.4
574.71930	0.5
583.14294	5.1
583.21075	0.8
584.14893	0.6
584.36578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30112	0.3
59.01265	100.0
59.09188	0.3
60.01605	0.9
61.98714	0.7
63.18184	0.3
69.03349	3.5
71.01266	5.4
71.04913	0.3
71.57504	0.6
71.57907	0.3
73.02847	1.6
75.00771	0.3
81.03348	0.3
83.01266	0.6
85.02851	3.0
89.02347	0.6
95.01324	0.7
96.95934	1.2
96.96889	0.4
97.02862	0.4
97.63977	0.3
101.02328	3.3
106.63039	0.3
110.60046	0.3
113.02350	6.4
119.03443	0.5
119.04916	0.3
120.02631	0.3
121.80531	0.4
125.02377	1.2
125.15738	0.3
134.03581	0.4
143.03429	6.4
144.03772	0.3
147.04475	0.3
149.04483	0.4
155.03473	0.3
161.02429	0.3
161.04459	1.8
163.58867	0.3
191.05571	1.2
225.05617	2.3
232.03525	0.4
275.23889	3.9
276.24225	0.6
299.23978	0.4
301.21838	1.0
319.22845	71.2
320.23203	8.7
333.24338	2.0
343.22833	5.2
344.23209	0.7
361.23834	2.3
373.23749	0.6
431.94858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01604	1.2
61.98716	2.2
67.01772	0.7
69.03348	3.4
71.01271	5.7
71.05313	0.5
71.56897	0.6
71.69250	0.5
73.02845	2.1
83.01302	1.1
85.02848	3.6
87.00796	0.6
88.00111	0.5
89.02345	0.8
93.03397	1.1
96.95913	0.7
97.02888	0.8
101.02339	3.4
105.58595	0.6
108.02052	0.6
109.07501	0.5
110.70975	0.5
113.02359	7.6
125.02383	1.2
133.02844	2.9
135.04436	1.1
137.02414	0.5
143.03435	5.8
150.39670	0.5
161.02388	2.8
161.04506	1.9
163.03981	0.6
163.16289	0.5
173.04504	0.7
178.99712	0.6
179.03450	0.8
189.12877	0.5
191.05580	4.5
265.04715	0.6
275.23920	3.0
319.22858	69.5
320.23172	9.0
333.24371	1.7
343.22910	4.9
358.14194	0.9
361.23883	2.0
373.23990	1.0
496.28644	0.5
559.71991	0.5
568.61969	0.6
583.31476	2.4
606.83105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01604	1.2
61.98716	2.2
67.01772	0.7
69.03348	3.4
71.01271	5.7
71.05313	0.5
71.56897	0.6
71.69250	0.5
73.02845	2.1
83.01302	1.1
85.02848	3.6
87.00796	0.6
88.00111	0.5
89.02345	0.8
93.03397	1.1
96.95913	0.7
97.02888	0.8
101.02339	3.4
105.58595	0.6
108.02052	0.6
109.07501	0.5
110.70975	0.5
113.02359	7.6
125.02383	1.2
133.02844	2.9
135.04436	1.1
137.02414	0.5
143.03435	5.8
150.39670	0.5
161.02388	2.8
161.04506	1.9
163.03981	0.6
163.16289	0.5
173.04504	0.7
178.99712	0.6
179.03450	0.8
189.12877	0.5
191.05580	4.5
265.04715	0.6
275.23920	3.0
319.22858	69.5
320.23172	9.0
333.24371	1.7
343.22910	4.9
358.14194	0.9
361.23883	2.0
373.23990	1.0
496.28644	0.5
559.71991	0.5
568.61969	0.6
583.31476	2.4
606.83105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.6
59.15801	0.1
61.01633	0.1
61.98710	0.3
62.96290	0.3
65.00208	0.3
69.70888	1.0
78.95794	71.3
82.41367	0.1
85.44864	0.1
85.80830	0.1
87.83552	0.2
90.66529	0.2
95.95180	0.1
95.96088	0.1
96.96864	55.9
98.20580	0.2
107.01301	0.4
133.02896	0.2
135.04462	0.3
136.01610	0.2
147.00827	0.2
151.00296	1.7
161.02359	0.4
165.01851	0.1
178.99792	1.3
179.03476	0.2
191.05574	0.6
199.03923	0.3
215.34869	0.2
221.10464	0.2
224.61035	0.2
227.03577	0.2
233.09494	100.0
234.09831	6.3
241.05176	0.2
255.03018	0.4
271.02515	2.5
271.05228	0.1
272.02713	0.3
285.07709	0.2
299.02017	1.2
300.02820	1.9
301.03528	0.5
331.04639	3.1
332.04987	0.4
349.05743	1.5
350.05615	0.2
378.61746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.6
59.01268	35.8
61.61381	0.7
61.98732	0.9
69.03343	3.7
71.01273	5.7
71.04902	0.8
71.59512	1.1
73.02841	4.0
78.95788	1.2
79.95613	0.9
80.36473	0.7
83.04913	1.2
85.02840	3.2
85.06474	0.9
87.00777	1.4
89.02335	1.3
90.61818	0.7
93.03374	1.7
95.01263	0.9
96.95918	15.6
96.96861	1.3
97.02850	1.0
97.06487	7.3
99.04420	15.5
101.02380	4.5
107.04890	1.3
109.02841	0.9
113.02346	3.6
113.09708	1.4
119.08627	4.2
120.08930	0.8
125.02328	1.6
125.09609	2.2
133.02882	4.5
135.04436	2.4
137.09666	9.2
149.04530	1.1
153.09196	1.4
161.02412	7.7
161.04472	1.3
162.02750	1.5
167.10701	6.2
173.04546	1.2
179.03520	1.7
181.08655	2.7
185.10207	1.7
185.11794	24.9
186.12057	1.1
191.05614	4.3
195.06509	1.4
203.05931	0.8
273.22220	2.7
290.78027	0.9
303.14169	0.9
317.21320	0.9
335.22360	100.0
336.22778	9.6
349.23962	1.3
351.07382	1.6
377.23679	2.2
397.15347	1.2
415.15994	2.3
437.18390	6.6
437.68790	2.3
463.27200	1.4
583.23932	1.0
583.36700	5.7
584.37720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55395	0.4
51.89655	0.4
52.88873	0.4
57.03326	0.7
58.00495	0.4
58.45229	0.4
59.01268	26.4
61.98724	2.5
69.03341	1.4
69.79694	0.5
71.01276	10.5
72.99200	1.6
73.02840	3.6
75.00771	1.0
78.95800	2.1
79.95622	2.1
81.03345	0.7
83.01284	1.1
83.04955	0.5
85.02842	5.0
87.00765	1.9
88.98664	0.5
89.02359	2.4
93.03352	2.3
95.01299	1.1
95.04897	0.5
96.95920	100.0
96.96803	3.7
97.02837	0.7
99.00806	0.9
99.04430	1.4
101.02354	5.3
103.00294	1.1
103.03898	0.8
109.02948	0.5
111.00842	0.5
111.04462	0.6
111.80601	0.4
113.02357	5.8
114.93320	1.1
116.92803	0.8
117.03371	0.8
119.03423	1.1
119.04939	3.0
121.02907	0.5
125.02386	0.5
132.02107	0.7
133.02917	2.2
134.03677	1.7
135.04485	1.4
137.09665	1.2
139.03966	1.3
143.03506	0.4
143.04861	0.5
145.02911	2.8
146.03444	0.6
147.04454	1.9
148.01613	0.6
149.02390	0.6
149.06065	0.5
150.03114	2.7
153.51709	0.4
155.03452	0.4
155.10732	16.8
156.11104	0.8
160.01614	2.2
161.02489	2.2
161.04538	0.6
162.50058	0.4
163.03935	2.8
165.05524	1.9
173.04570	1.3
175.03952	3.1
176.01166	2.8
177.02013	0.4
179.03452	1.4
183.03050	0.6
191.03494	3.3
191.05614	5.0
192.05998	0.6
193.05058	1.9
195.06621	0.9
199.09755	7.7
201.02132	0.5
201.04076	1.5
209.04611	2.9
229.68721	0.5
233.04590	1.6
243.05180	1.1
249.05908	0.5
255.03114	0.7
283.02670	0.9
284.03018	0.5
317.21323	1.3
331.08139	0.8
335.22354	4.1
354.17282	0.5
437.18417	6.3
437.68811	1.9
441.25238	0.6
479.26575	2.4
497.27765	1.7
539.28809	25.0
540.29041	4.2
565.22357	1.1
583.15063	2.0
583.23596	10.5
584.24719	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	583.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	0.8
57.03319	1.4
57.91538	0.5
58.00477	1.0
59.01266	58.2
61.98712	3.2
69.03347	0.5
69.62967	3.9
71.01270	25.1
72.01584	0.6
72.99197	5.5
73.02447	0.8
73.02836	12.4
78.95794	0.9
78.96963	0.5
83.01271	3.6
85.02843	8.1
87.00767	1.4
89.02338	11.7
93.03368	0.7
93.93266	0.5
95.01289	1.4
96.95916	1.5
98.95490	0.9
99.00780	1.0
99.04426	0.7
101.02353	16.1
113.02356	10.6
119.03408	3.6
119.04922	1.5
125.02345	0.5
131.03415	0.6
133.02890	0.7
134.03670	1.0
135.04474	1.1
137.02367	0.9
137.04800	0.5
142.00256	0.5
143.03395	1.1
145.02870	1.5
160.01622	1.2
161.02383	1.4
161.04474	1.4
163.03987	1.0
173.02502	0.6
173.04451	1.0
173.05836	0.5
175.03978	0.6
175.79149	0.5
185.02188	0.6
191.05525	2.3
193.04979	0.7
271.02567	1.1
299.02136	1.1
335.22525	0.6
394.75024	0.6
421.16864	0.6
479.26675	3.5
480.26950	0.6
497.27826	4.5
498.27859	0.7
523.35059	1.7
534.88495	0.5
539.28748	100.0
540.29175	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	583.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03662	0.2
55.01770	0.3
57.03330	0.5
59.01265	6.2
61.98717	3.0
69.46773	2.2
71.01274	2.6
72.99194	0.7
73.02835	3.2
75.00777	0.6
78.95782	1.8
79.95652	0.5
83.01272	0.4
85.02847	1.7
87.00771	1.0
87.04496	0.3
88.98678	0.6
89.02361	0.7
93.03375	1.7
95.04942	0.3
96.95914	24.8
97.06487	0.2
99.00796	0.5
99.04391	0.3
101.02345	1.7
102.83882	0.3
108.02094	0.3
109.02855	0.5
111.04466	0.4
113.02367	1.1
115.91949	0.3
116.92784	1.0
119.03408	0.3
119.04948	2.2
121.02860	0.3
127.04002	0.2
127.07597	0.4
133.02884	2.0
134.03664	0.9
135.04451	1.8
135.08090	1.2
137.02383	0.5
137.09653	6.9
138.09970	0.3
139.73038	0.3
143.10721	0.6
145.02861	0.8
152.01073	0.4
155.10721	100.0
156.11067	5.1
160.01654	0.5
161.02403	4.8
161.04472	0.4
162.02861	0.3
163.03964	2.3
173.04533	1.2
175.03906	0.6
177.01698	0.4
178.02585	0.4
179.03415	0.8
181.08679	0.5
191.05602	3.4
192.05936	0.6
193.05037	0.6
194.72299	0.3
195.06419	0.5
199.09740	39.6
200.10078	2.5
213.87862	0.3
215.06935	0.3
257.08041	0.3
269.10349	0.4
401.14880	0.5
421.21591	0.4
439.12357	0.4
539.27484	0.4
565.21954	0.6
583.24054	55.4
584.24408	11.4
611.55389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55395	0.4
51.89655	0.4
52.88873	0.4
57.03326	0.7
58.00495	0.4
58.45229	0.4
59.01268	26.4
61.98724	2.5
69.03341	1.4
69.79694	0.5
71.01276	10.5
72.99200	1.6
73.02840	3.6
75.00771	1.0
78.95800	2.1
79.95622	2.1
81.03345	0.7
83.01284	1.1
83.04955	0.5
85.02842	5.0
87.00765	1.9
88.98664	0.5
89.02359	2.4
93.03352	2.3
95.01299	1.1
95.04897	0.5
96.95920	100.0
96.96803	3.7
97.02837	0.7
99.00806	0.9
99.04430	1.4
101.02354	5.3
103.00294	1.1
103.03898	0.8
109.02948	0.5
111.00842	0.5
111.04462	0.6
111.80601	0.4
113.02357	5.8
114.93320	1.1
116.92803	0.8
117.03371	0.8
119.03423	1.1
119.04939	3.0
121.02907	0.5
125.02386	0.5
132.02107	0.7
133.02917	2.2
134.03677	1.7
135.04485	1.4
137.09665	1.2
139.03966	1.3
143.03506	0.4
143.04861	0.5
145.02911	2.8
146.03444	0.6
147.04454	1.9
148.01613	0.6
149.02390	0.6
149.06065	0.5
150.03114	2.7
153.51709	0.4
155.03452	0.4
155.10732	16.8
156.11104	0.8
160.01614	2.2
161.02489	2.2
161.04538	0.6
162.50058	0.4
163.03935	2.8
165.05524	1.9
173.04570	1.3
175.03952	3.1
176.01166	2.8
177.02013	0.4
179.03452	1.4
183.03050	0.6
191.03494	3.3
191.05614	5.0
192.05998	0.6
193.05058	1.9
195.06621	0.9
199.09755	7.7
201.02132	0.5
201.04076	1.5
209.04611	2.9
229.68721	0.5
233.04590	1.6
243.05180	1.1
249.05908	0.5
255.03114	0.7
283.02670	0.9
284.03018	0.5
317.21323	1.3
331.08139	0.8
335.22354	4.1
354.17282	0.5
437.18417	6.3
437.68811	1.9
441.25238	0.6
479.26575	2.4
497.27765	1.7
539.28809	25.0
540.29041	4.2
565.22357	1.1
583.15063	2.0
583.23596	10.5
584.24719	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	583.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12704	0.2
59.01270	2.6
60.99191	15.1
61.98706	0.2
65.70364	0.2
71.01274	0.2
71.59565	0.2
73.02803	0.2
85.02852	0.3
87.00778	0.6
87.37583	0.2
88.00298	1.5
88.12740	0.2
88.98698	100.0
89.02335	9.3
89.99043	1.2
93.03362	0.3
96.95915	0.9
113.02342	0.3
133.02881	0.9
134.03683	1.2
135.04436	1.5
137.02328	0.2
161.02399	1.8
173.04565	0.4
175.29935	0.2
179.03445	0.7
183.10271	0.2
189.01653	0.9
191.05499	0.9
201.01682	4.1
202.02069	0.2
250.94228	0.3
280.15268	0.2
313.18146	0.3
335.22266	0.2
421.15112	0.5
497.18311	0.9
498.18005	0.3
533.21460	0.2
539.19684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.4
58.12620	0.3
59.01267	9.6
61.98716	0.9
69.03371	0.3
70.92349	0.9
71.01273	3.6
72.99194	0.5
73.02840	4.9
75.00758	0.4
78.95789	0.7
79.95629	0.7
83.01276	0.9
85.02847	2.4
87.00774	0.4
89.02339	1.1
93.03353	0.9
95.01297	0.3
96.95915	18.5
96.96896	0.9
97.02843	0.3
99.00763	0.6
99.04436	0.5
101.02343	2.8
103.00263	0.5
108.02077	0.3
113.02344	2.5
119.03425	0.5
119.04873	0.3
121.02863	0.8
122.03640	1.3
125.02344	0.5
131.95801	0.3
133.02878	0.8
134.03690	0.4
135.04495	0.4
135.08086	1.2
136.01605	0.5
137.09653	6.8
143.03424	0.3
145.02878	0.7
148.05258	0.3
149.02342	1.8
150.03166	7.8
151.00320	0.4
151.03975	0.5
155.10722	100.0
156.11064	5.1
159.02907	0.4
159.04514	0.4
160.01515	0.3
161.02417	1.8
161.04494	1.3
163.03992	0.4
164.04755	0.3
165.05527	10.0
166.02718	0.4
166.05844	0.4
173.04616	0.4
174.03168	0.3
175.03972	0.6
179.03357	0.4
180.04259	0.4
181.05074	0.8
181.08704	0.4
191.03880	0.2
191.05589	5.8
195.06613	7.9
196.07028	0.4
199.09738	44.7
200.10069	2.1
203.10754	1.2
247.09865	2.0
269.10361	0.6
329.10837	0.3
335.22269	1.8
336.22525	0.4
347.18387	0.4
357.13538	0.5
387.14795	1.4
401.14594	1.9
421.15134	1.7
422.15677	0.3
437.18460	2.8
437.68750	0.7
479.26627	0.6
497.28006	0.5
535.20197	0.4
539.28931	8.0
540.29224	1.4
583.24084	56.3
584.24402	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	583.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	21.7
61.98713	5.5
69.03339	1.5
71.01270	4.1
71.57201	1.3
72.99197	2.5
73.02835	1.9
78.95811	0.9
81.03368	1.1
83.01286	1.9
83.04940	0.8
85.02855	2.4
87.00768	3.5
88.98702	2.6
89.02338	1.3
89.03867	0.9
93.03356	8.0
95.01292	2.0
95.04911	1.8
96.95910	2.5
97.02842	1.6
101.02344	1.5
108.02072	1.3
108.43929	0.7
109.02873	3.0
109.06509	0.7
111.00771	1.7
111.04443	3.4
111.57265	0.6
113.02373	1.8
117.03375	9.1
119.04944	41.1
120.05324	1.8
120.97385	0.6
121.02871	9.4
121.72089	0.7
122.03670	14.8
123.04436	1.8
123.08098	1.6
125.02354	1.0
128.23677	0.7
129.01862	4.1
132.02097	21.6
132.05598	0.7
133.02879	5.8
133.06522	1.2
134.03665	28.8
135.04485	4.8
136.01575	1.4
137.02354	4.8
139.03966	1.5
145.02892	25.4
145.06441	0.7
146.03247	0.9
147.04489	1.8
149.02382	32.5
149.05991	4.5
149.09628	0.8
150.03166	100.0
150.15851	0.7
151.03596	3.0
158.03697	3.0
158.33870	0.7
159.04497	1.2
160.01604	60.9
161.02367	9.2
161.04572	0.9
161.06027	2.3
162.03117	1.3
163.03960	43.8
164.04720	8.3
165.01837	1.9
165.05522	99.3
166.05914	4.9
173.04596	1.7
173.06036	1.6
175.03958	49.7
176.04385	2.3
177.05551	2.6
177.20697	0.7
178.02646	4.7
179.03412	4.1
179.07123	0.9
180.04272	6.3
183.02997	3.4
183.04358	0.6
187.03975	1.0
191.05571	6.2
191.07120	1.4
192.05907	0.9
193.05019	18.7
194.05391	1.5
195.06613	61.3
196.06960	2.3
197.06200	1.0
200.04811	0.8
201.04028	1.7
203.07181	1.2
205.05061	3.3
206.05945	0.8
209.06058	0.8
213.05638	0.7
217.05017	3.9
224.06905	1.2
226.06425	0.8
227.07053	1.1
229.08731	1.1
233.08244	2.3
240.07866	1.1
241.08719	1.3
243.02913	0.8
243.10350	1.4
244.07478	0.9
251.07056	1.0
257.07974	0.7
259.09659	0.9
261.05542	1.0
263.07114	0.8
263.12958	0.8
267.06622	1.9
268.07425	2.5
271.02603	4.2
271.06259	1.6
271.09698	1.5
272.02890	0.9
273.07733	0.9
283.09851	1.9
284.07233	1.2
285.07831	2.9
287.09299	2.2
295.06287	1.4
295.09766	1.4
297.11264	0.9
299.02057	7.0
300.02658	2.8
301.03415	0.8
303.08749	0.8
305.06842	1.3
308.07135	1.5
308.10330	1.3
309.07706	2.7
310.08395	0.8
312.06461	2.9
315.09003	1.1
321.07745	2.9
322.08630	0.9
323.09494	3.5
323.12708	0.9
324.06485	1.3
324.10046	2.3
325.07333	1.1
325.10901	2.7
326.11554	5.0
327.08841	6.1
329.06793	5.2
329.17685	1.8
338.11758	1.2
339.05017	2.1
339.08792	7.5
339.12445	1.4
340.09027	1.0
341.10379	1.0
341.14053	1.2
342.11200	5.2
347.07767	1.5
354.11194	3.7
357.13480	20.9
358.13922	2.0
359.07730	1.4
361.16516	2.3
365.08826	3.1
369.13489	22.3
370.13724	2.0
375.91360	0.7
377.08923	1.6
379.17899	3.2
407.09955	2.5
451.13989	1.7
461.16089	1.5
472.15488	0.9
475.17960	0.9
479.13492	1.2
487.17273	0.8
505.18726	8.3
506.18744	0.8
513.10553	2.0
517.18549	2.1
523.12433	4.4
535.19855	37.5
536.20184	5.3
539.28851	0.9
547.18500	2.0
583.14606	27.4
583.22791	3.2
584.15082	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	583.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.0
59.01267	55.7
61.98724	6.3
65.00220	0.8
65.03856	0.9
67.01771	1.0
68.99690	1.2
69.03345	4.0
70.18022	3.1
71.01271	14.3
72.99194	0.9
73.02813	1.1
74.21734	0.7
77.03851	2.6
78.95796	10.7
80.02558	1.0
81.03356	2.0
83.01279	1.4
83.04911	1.3
85.02827	3.8
87.00777	6.9
89.02328	1.1
89.03859	1.4
92.93071	0.6
93.03357	11.9
95.01285	9.0
95.04931	16.0
96.96874	9.2
96.99221	2.8
97.02849	4.8
98.00019	5.4
99.00780	2.7
101.02366	1.8
106.25526	0.6
107.04974	0.7
108.02064	1.8
109.02856	2.9
111.00787	3.6
111.04431	5.9
113.02352	1.2
114.73786	0.6
115.00287	2.9
117.03367	4.5
119.04955	32.8
120.05348	0.9
121.02864	3.6
123.00862	1.1
123.04431	2.4
129.01866	2.5
130.04137	0.9
131.04939	1.3
133.02867	2.3
134.03674	28.4
135.04395	2.4
136.01654	0.9
137.02388	1.8
139.00317	6.7
139.03957	17.8
140.04269	0.8
141.01909	0.8
143.04942	4.8
145.02902	6.7
145.39415	0.7
146.03677	3.0
147.04442	2.3
148.01617	1.0
148.05240	3.6
149.06013	4.2
151.00314	2.1
153.01909	1.6
158.03691	3.6
159.04456	5.0
160.01602	1.0
161.06042	1.9
162.03258	0.7
163.03967	25.9
164.04323	0.8
165.01868	0.6
171.04454	3.2
173.04539	1.8
173.06049	3.0
174.03265	0.8
175.03993	1.8
178.02707	1.6
178.99838	1.3
183.02953	4.2
183.04408	1.1
187.03966	2.0
191.05626	3.5
193.05037	20.4
194.05397	0.7
197.06032	2.4
201.02164	0.7
201.04034	3.3
208.04759	0.7
211.04068	0.9
213.05643	1.0
217.05113	0.8
218.99323	0.7
219.05162	5.6
225.05544	5.0
226.06371	100.0
227.03441	1.9
227.06723	7.4
233.09523	10.3
240.07910	2.6
241.08736	88.4
242.09042	6.9
243.05112	6.7
250.06546	1.0
251.07158	12.6
252.07979	4.1
253.08788	4.0
254.09453	2.1
263.15060	1.1
265.08624	1.5
267.10413	1.5
269.11920	1.8
271.02496	2.1
272.03064	0.8
277.05176	1.1
279.06686	5.0
280.07416	6.7
281.03094	44.6
282.03418	1.3
293.08353	2.0
295.09866	7.3
299.01715	0.9
300.02676	1.9
301.03653	0.9
305.16040	0.8
313.10928	17.0
314.11285	1.4
314.63364	0.8
321.07831	4.2
322.08502	1.3
324.06430	1.2
331.04672	5.0
337.10931	8.2
339.08771	5.9
341.05240	5.1
348.06354	1.4
349.05847	3.2
349.18774	1.9
357.09863	20.6
358.10327	1.2
363.08734	10.0
364.09247	1.4
369.53680	0.8
381.09885	2.9
523.12604	23.1
524.12860	2.9
583.14606	17.2
583.23499	0.8
584.15106	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	583.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	39.7
67.01773	0.7
69.03343	1.5
70.98045	1.7
71.01271	8.6
77.03845	1.9
78.95792	2.5
80.02580	1.7
81.03349	1.0
83.01286	1.2
83.04910	1.3
85.02875	1.0
87.00766	1.0
91.01819	0.8
93.03367	7.7
95.01293	2.7
95.04930	19.4
96.05276	0.7
96.96879	1.7
96.99211	2.6
97.02850	2.6
97.99995	6.6
99.00780	1.6
103.91920	0.7
109.02881	1.6
111.00751	1.3
111.04440	5.2
115.00275	2.0
117.03376	5.4
119.04942	28.9
120.05289	1.7
121.02885	3.9
123.04412	1.7
132.02078	1.3
132.05711	0.8
133.02876	1.3
134.03668	33.4
135.04457	2.1
137.02371	1.7
139.03951	20.9
143.04962	2.3
145.02936	3.9
146.03700	1.8
147.04434	3.0
148.05255	2.5
149.06021	3.5
149.51332	0.7
158.03696	1.8
159.04492	4.2
160.01596	2.9
161.06088	1.4
163.03957	25.8
164.04288	1.0
173.06056	1.2
175.03963	2.6
178.02690	2.5
183.02975	3.2
187.04033	0.9
191.05571	2.1
193.05040	20.2
194.05411	1.3
197.06023	0.8
217.01556	0.7
225.05566	2.1
226.06366	100.0
227.06668	7.8
233.09518	2.3
237.05603	0.9
238.06380	1.3
241.08736	88.2
242.09081	6.6
243.05069	4.4
251.07216	8.0
252.07907	4.2
253.08711	6.8
254.09480	3.2
265.08817	1.2
267.10416	0.9
269.12003	1.7
279.06723	3.2
280.07458	3.8
281.03101	40.9
282.03418	1.7
295.09857	5.0
313.07550	1.4
313.10901	17.9
314.11252	1.7
321.07721	0.8
324.06259	1.0
339.08801	4.1
341.05371	3.5
341.09738	0.7
357.09875	26.2
358.10190	2.2
523.12598	27.6
524.13019	4.7
564.59644	0.7
583.14771	17.9
584.14923	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	583.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19782	0.6
55.67836	0.7
57.03338	1.6
59.01265	24.7
61.82438	0.7
61.98714	4.6
67.01802	1.0
68.10287	0.6
69.03345	2.2
69.81323	4.9
71.01266	6.6
73.02840	1.4
77.89777	0.7
81.03371	1.9
83.01277	2.5
83.04936	1.0
85.02842	5.7
87.00777	21.1
88.98729	0.8
89.02335	1.3
89.03878	0.8
93.03378	5.9
95.01320	1.1
95.04908	1.1
96.95914	2.4
97.02870	3.4
98.19843	1.3
99.00790	1.0
101.02340	3.1
103.82980	0.7
108.02120	1.3
109.02871	2.9
111.00765	3.8
111.04424	4.7
113.02384	3.1
117.03371	22.3
118.03666	1.2
119.04948	80.0
120.05283	2.8
121.02870	7.3
122.03193	1.0
123.04452	1.4
129.01860	15.7
130.04190	1.3
132.02106	20.7
133.02904	5.3
133.06517	2.0
134.03671	44.6
135.04419	5.7
136.01651	1.1
137.02390	5.9
139.03935	3.2
142.84036	0.7
143.04976	6.1
143.22653	0.8
145.02890	100.0
146.03198	4.2
147.04468	3.0
149.06029	8.5
150.03145	1.0
150.06808	1.7
153.01819	1.0
153.05458	1.1
158.03687	35.6
159.04349	3.8
160.01611	78.4
161.02399	10.6
161.06009	5.8
162.03104	1.7
163.03963	82.9
164.04254	4.1
165.01924	1.9
165.05510	0.7
169.06561	0.9
173.04634	1.8
173.06033	34.1
174.06371	1.5
175.03967	73.8
176.04341	4.2
178.02690	6.6
179.03436	5.3
181.06551	1.1
183.02986	7.2
187.03951	2.5
191.05733	5.7
191.06995	5.7
192.05852	1.0
193.05037	34.7
194.05507	1.5
195.06668	1.1
197.04544	5.0
197.06046	1.3
198.04837	2.5
199.05128	1.0
201.01976	3.8
201.03992	21.2
201.05898	1.1
202.02632	4.2
203.03368	1.2
204.91031	0.7
205.05135	4.0
214.06348	1.5
215.07191	1.2
217.05063	23.2
218.05484	2.3
219.05087	8.9
223.09720	2.1
225.05621	1.2
227.07141	1.3
229.01366	0.9
229.08589	1.6
233.08218	2.9
235.06145	2.5
241.08710	1.8
243.05087	1.1
243.10355	1.8
245.08376	1.2
259.06192	1.0
259.09833	1.7
261.07745	1.5
267.06818	0.7
271.02548	3.8
271.06064	1.4
271.09830	1.9
273.07678	1.0
277.07187	2.1
285.07733	3.5
287.06067	1.0
287.09332	4.3
299.02090	6.7
300.02692	3.3
301.03531	0.9
301.07153	1.6
303.08752	1.8
305.06845	3.5
315.08890	1.8
329.06787	6.6
347.07791	5.9
353.08856	1.1
359.07843	2.6
361.29526	1.3
365.08826	65.0
366.09247	6.2
377.08792	3.5
385.14868	1.0
395.10016	3.3
407.09891	3.1
419.09973	8.6
420.10504	1.5
435.10864	1.1
451.14209	5.1
479.13574	2.3
523.12701	7.5
523.35120	14.1
524.12897	1.8
547.18488	1.0
583.14661	55.8
584.15039	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	583.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.9
59.01263	29.4
61.98727	3.8
69.03342	1.7
71.01263	5.1
71.57428	0.8
72.99204	1.5
73.02836	2.7
75.00769	1.0
78.95782	1.2
81.03345	1.8
83.01275	2.2
85.02829	3.5
87.00764	5.9
88.98702	0.9
89.02341	1.8
89.03866	1.3
93.03363	7.7
95.01289	1.7
95.04904	2.1
96.95908	3.5
97.02826	2.9
99.00752	0.9
99.04405	1.2
101.02348	2.3
108.02021	0.9
109.02852	2.9
109.06483	0.7
111.00792	4.2
111.04439	5.3
113.02364	2.2
116.92800	0.7
117.03381	13.5
119.04945	65.4
120.05271	2.4
121.02871	5.4
122.03654	2.7
123.04456	1.8
123.08062	1.8
129.01859	7.8
132.02098	26.5
133.02901	5.3
133.06499	2.3
133.10133	0.8
134.03668	48.0
135.04486	3.6
136.01573	1.0
137.02364	6.0
139.03922	3.8
141.03339	1.8
145.02885	44.5
145.06595	1.6
146.03265	1.9
147.04462	2.7
149.02388	6.4
149.06036	6.9
149.09657	2.6
150.03168	19.0
151.03859	1.2
153.01930	1.4
153.05528	1.2
155.03464	1.2
155.10760	0.7
155.44373	0.7
158.03690	5.7
159.04395	0.9
160.01607	100.0
161.02379	9.5
161.04729	1.0
161.06032	4.3
162.03101	2.3
163.03955	70.0
164.04356	3.5
165.01891	2.3
165.04118	1.0
165.05513	17.6
166.05939	0.9
173.04576	1.3
173.05972	5.0
175.03966	86.3
176.04274	4.0
177.05530	2.3
178.02696	8.3
179.03441	6.0
180.04112	1.5
181.06598	0.8
183.02959	7.9
183.08092	0.8
185.05943	0.8
187.03961	2.0
187.07474	0.7
189.09218	0.8
191.05577	4.1
191.07114	1.5
193.05045	37.0
194.05426	2.4
195.06599	13.7
195.08304	1.0
197.06082	1.8
199.07710	0.8
199.09654	0.9
201.02014	0.6
201.04002	3.1
205.05045	4.8
209.06053	0.9
211.07733	0.9
213.05493	0.8
215.07132	1.3
217.05072	7.1
218.05707	0.8
219.04933	1.3
223.07652	1.5
225.05524	1.4
227.07109	0.9
228.07887	1.0
229.08768	1.5
233.08276	2.3
235.06000	1.7
241.08685	2.4
243.04889	1.2
243.10297	1.8
245.04451	0.8
245.08253	1.0
256.07715	0.9
257.08286	1.0
259.06213	0.8
259.09879	1.2
261.05695	1.8
262.06290	1.3
263.12961	1.2
267.06644	1.5
269.08121	0.7
271.02518	1.9
271.06186	1.9
271.09805	2.8
273.07736	1.0
285.07742	5.7
287.09341	6.3
289.05090	1.1
297.07727	0.7
299.02036	3.9
300.02625	1.3
301.07220	1.2
303.08942	1.3
305.06903	4.1
315.08841	1.8
317.17624	0.9
321.07791	6.8
322.08109	0.9
326.11472	1.0
329.06741	8.8
329.17609	2.2
331.19370	1.3
333.09796	0.6
335.18668	0.8
339.05090	0.8
339.08713	1.2
347.07733	3.7
349.20132	1.1
357.13528	4.4
359.08041	3.0
361.16760	4.9
365.08777	8.8
369.13361	4.8
377.08850	4.1
379.17752	6.2
407.10040	4.6
407.14783	1.0
408.10431	0.7
419.10129	1.2
421.18799	0.7
435.10730	1.3
451.13907	6.5
479.13593	2.4
523.12561	10.6
524.12891	1.4
535.19891	8.1
536.20343	1.5
539.15411	0.9
547.17944	0.9
583.14734	59.1
583.23187	3.2
584.14984	10.9
584.23920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71790	1.0
58.89663	0.9
59.01271	7.1
60.15519	0.9
60.25076	1.0
71.01271	5.9
71.58959	1.0
72.99199	1.1
73.02834	1.8
82.36321	1.0
83.01235	1.1
85.02835	3.8
87.00769	3.6
89.02329	1.3
91.01766	1.0
93.03365	2.4
95.01276	1.3
96.95926	2.4
99.00787	1.9
101.02335	3.1
108.02080	41.8
109.02869	34.7
110.03162	1.3
111.00784	1.9
113.02361	3.1
117.03413	1.4
119.04955	5.1
121.02839	1.2
123.00768	1.2
125.03249	1.1
129.01924	1.3
137.83792	1.1
145.02919	7.4
151.04012	1.4
152.01097	83.2
153.01897	41.5
154.02132	1.2
161.02335	1.1
161.04500	2.7
161.05844	1.2
163.03969	10.1
165.05536	1.1
176.74763	0.9
179.03503	1.5
191.05521	3.6
201.04066	1.0
203.14204	1.0
207.02742	1.1
209.60165	1.0
224.34732	1.1
235.06099	1.5
257.46054	1.2
258.67520	0.9
271.08359	1.2
289.33319	1.0
307.06287	1.2
323.55188	1.1
402.90143	1.0
407.09915	12.8
408.10220	1.3
429.10471	3.4
447.11594	24.1
448.11557	3.4
460.48257	1.2
539.14215	2.9
583.13165	100.0
584.13403	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	582.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03871	0.5
59.01268	21.9
60.30848	0.5
62.44293	0.4
63.65250	0.4
66.08617	0.5
78.12080	0.5
78.84406	0.5
78.95798	18.6
91.03442	0.5
96.96868	0.7
98.19741	1.2
122.07768	0.5
150.24434	0.5
152.99551	3.9
155.80281	0.5
168.04202	2.7
224.06955	7.6
225.07326	0.5
235.86751	0.7
242.08022	2.0
283.26505	100.0
284.26889	10.4
298.39194	0.6
332.20630	0.5
406.63947	0.6
508.34216	72.7
509.34537	11.3
582.30786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
57.03342	0.8
58.00479	0.3
59.01266	7.8
61.98718	100.0
69.03339	0.2
69.70908	0.9
71.01276	5.3
72.01613	0.2
72.99203	0.8
73.02832	1.8
75.00764	0.3
78.95810	0.4
83.01303	0.8
85.02841	2.8
87.00768	0.7
89.02341	2.1
93.03365	1.2
95.01299	0.4
96.95927	1.2
96.96869	0.2
97.02863	0.2
97.05844	0.1
97.06535	0.2
98.20533	0.2
99.00790	0.6
101.02350	3.8
109.02869	0.2
111.04443	0.3
113.02361	2.1
114.58655	0.2
116.92796	0.4
117.03388	0.2
119.03467	0.5
119.04955	0.4
121.02859	0.3
133.02866	0.2
134.03662	0.2
135.04517	0.3
137.02402	0.2
143.03438	0.2
145.02901	0.3
146.16888	0.1
146.43550	0.1
146.82698	0.1
159.03006	0.3
161.02435	0.5
161.04520	0.7
163.04004	0.6
169.45026	0.1
171.13910	0.3
173.04524	1.0
179.03484	0.3
179.05554	0.4
188.83197	0.1
191.05583	2.1
192.05974	0.3
193.04924	0.2
193.08810	0.3
201.14957	0.2
260.40228	0.2
280.17575	0.1
359.28052	0.3
360.28635	0.3
361.29700	3.4
497.27722	0.2
521.33661	0.5
522.33722	3.4
523.34979	11.6
539.28687	4.1
564.21631	0.4
582.29260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03339	2.4
58.00477	1.1
59.01269	32.2
60.33166	0.4
60.48141	0.5
61.98720	23.9
67.01759	0.8
69.03342	0.8
71.01273	25.3
72.01588	0.7
72.99180	2.5
73.02842	6.6
75.00764	1.6
78.95796	3.7
79.95647	0.5
81.03345	0.6
83.01296	3.0
85.02850	10.5
87.00771	3.7
87.53703	0.5
88.98699	0.9
89.02339	8.9
93.03361	4.9
95.01314	2.3
95.01850	0.5
96.95916	10.6
96.96854	1.1
99.00800	2.6
101.02354	13.4
106.25859	0.5
111.00793	1.6
111.04422	1.1
113.02361	9.6
116.20387	0.5
119.03436	3.1
119.04930	2.0
121.02863	1.0
121.10151	1.4
125.02354	1.0
129.01874	0.8
134.03641	1.5
135.04424	1.7
143.03397	0.6
145.02867	1.8
147.26622	0.5
149.02345	0.6
157.12238	0.6
159.02869	0.6
161.02397	0.9
161.04512	2.4
161.23906	0.5
163.03906	2.2
164.48828	0.5
165.05452	0.9
171.13913	1.1
173.04553	4.3
175.03998	0.9
179.03391	0.8
179.05548	1.1
187.13344	0.6
191.05582	12.0
192.06017	0.6
193.05017	1.0
195.06638	0.7
201.14972	5.7
204.07909	0.8
229.08719	0.6
229.73737	0.7
230.09509	0.5
232.07445	0.7
233.32294	0.5
319.07983	0.6
327.08789	0.5
347.18747	0.7
353.14014	0.5
359.28171	7.6
360.28418	0.8
389.16138	1.7
407.17139	1.3
521.33417	100.0
522.33795	13.9
537.27203	0.6
563.21399	3.2
581.22095	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67059	0.8
59.01264	100.0
60.01605	1.1
61.57352	0.6
69.77454	4.2
71.01276	0.7
98.20615	0.7
99.04457	0.7
118.92976	0.6
154.81883	0.7
277.21796	3.2
401.27094	1.2
508.50513	0.8
542.71570	0.6
588.10724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37919	0.1
57.06061	0.1
59.01258	0.3
61.98719	100.0
62.16333	0.1
62.98410	0.1
67.87688	0.1
71.01283	0.2
73.70741	0.1
79.95987	0.1
89.02347	0.2
93.03378	0.3
95.04993	0.1
109.06406	0.1
111.04404	0.1
123.79212	0.1
125.02386	0.4
126.92732	0.1
134.03705	0.1
151.07620	1.5
152.07957	0.5
153.08101	0.2
165.05547	0.2
191.05597	0.3
195.06619	5.8
196.06938	2.4
197.07155	1.0
198.07448	0.3
219.06656	0.9
220.07022	0.4
221.07251	0.2
222.07510	0.2
226.06548	0.2
229.94861	0.1
237.07698	0.5
238.08131	0.3
240.08682	0.1
357.12036	3.1
358.12375	1.2
359.12622	1.2
360.12805	1.2
378.50974	0.1
403.08914	0.2
582.16785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	1.8
57.03346	2.2
58.00489	1.5
59.01268	69.8
60.01611	1.1
61.98724	2.9
63.70417	0.4
67.01785	0.8
68.01315	1.0
69.00832	1.3
69.03365	0.8
70.65211	0.7
70.65610	0.9
71.01274	28.7
72.99221	2.7
73.02845	7.0
75.00766	1.1
78.95814	1.4
81.03349	0.6
83.01297	3.4
83.04936	0.6
84.02121	0.4
85.02852	14.1
87.00796	2.2
87.07532	0.4
89.02341	13.9
93.03365	4.6
95.01302	2.5
96.63911	0.4
96.95924	4.3
96.96855	0.8
97.02863	1.0
97.06544	0.5
99.00805	2.8
101.02351	18.6
102.02729	0.7
107.80856	0.5
109.02868	1.0
111.00790	1.0
111.04483	1.0
111.08078	0.4
113.02357	13.1
114.02725	0.5
114.72691	0.4
119.03423	4.6
119.04949	1.4
121.02883	0.7
122.52795	0.4
125.02336	0.7
127.03928	1.0
127.11227	0.5
129.01863	0.9
131.03397	0.5
133.02917	1.2
134.03665	0.4
135.04460	4.8
137.02342	0.5
137.09671	0.5
138.44725	0.4
139.77911	0.5
143.03462	0.7
145.02921	0.9
149.04485	0.5
151.00249	0.5
151.04050	0.6
152.44193	0.4
155.03462	0.4
155.10692	0.8
159.02948	1.2
159.98297	0.5
161.02458	1.1
161.04527	3.5
161.05867	0.7
163.03952	1.2
173.04532	3.9
177.01907	0.6
179.03490	1.5
179.05569	0.9
189.05637	0.5
191.05594	28.0
192.05852	0.7
197.04521	1.1
199.03975	1.3
200.14233	0.6
201.02013	0.6
201.14938	1.5
227.03648	0.6
230.15314	0.8
232.07431	0.5
243.02988	1.4
255.03104	1.4
269.21191	0.5
271.02539	9.1
271.19379	0.7
299.02023	18.1
300.02792	6.6
307.08231	0.6
326.05225	0.6
331.19278	0.5
333.20886	3.7
334.21524	0.5
341.27127	0.5
347.18661	0.4
352.08188	0.9
353.08810	3.4
359.28159	10.6
360.28513	1.0
371.15167	0.5
389.16104	1.0
407.17203	0.7
477.25024	6.6
478.25342	0.9
495.26135	1.5
521.33441	100.0
522.25897	0.8
522.33813	13.5
537.27448	2.5
563.21240	1.9
564.21741	0.7
576.27728	0.4
581.20355	0.6
581.29321	3.3
582.29822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.8
60.01597	0.3
60.24679	0.1
61.01688	0.4
61.98717	100.0
62.98416	0.3
71.56847	0.2
78.95795	1.2
80.96243	0.2
97.02899	0.1
97.40019	0.1
152.99548	0.6
168.04262	0.2
180.02341	0.1
187.56670	0.1
208.10347	0.1
236.26164	0.1
242.08119	0.2
244.08583	0.2
274.17206	0.1
279.23343	5.3
280.23700	8.0
281.23984	5.3
281.27148	0.2
282.24280	3.1
283.24942	0.1
283.28174	0.1
504.31155	0.8
505.31384	1.0
506.31802	1.3
507.31985	4.7
508.32520	0.3
577.31738	0.1
581.31830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63921	1.0
55.01757	3.0
56.62418	0.8
57.03327	4.0
58.00480	1.3
59.01264	51.8
60.99189	1.6
61.98718	100.0
67.01773	2.5
69.03340	1.6
69.26675	10.6
71.01271	38.2
71.68444	0.9
72.07919	0.9
72.99193	5.9
73.02832	8.7
75.00746	2.9
78.95794	9.1
81.03352	1.4
83.01290	4.7
85.02845	17.6
85.43607	0.8
87.00776	17.5
88.00295	1.3
88.98710	4.8
89.02341	19.8
93.02773	1.2
93.03361	20.0
94.03689	1.5
95.01289	3.1
96.95913	11.2
96.96846	1.9
97.02849	1.5
99.00208	0.9
99.00757	4.7
101.02346	24.1
108.02090	1.1
109.02861	1.4
111.00781	3.5
111.04416	3.6
113.02367	14.9
119.03436	6.4
119.04916	4.1
121.02879	1.1
121.10122	3.2
125.02367	3.1
127.03856	1.1
127.11225	1.0
129.01862	1.7
131.03415	2.0
133.02856	2.1
134.03629	3.8
135.04492	4.4
136.01552	1.1
137.02350	3.6
143.03419	1.7
145.02853	4.1
147.04439	1.1
149.05991	1.3
151.67809	0.9
155.03395	2.7
159.02907	1.1
161.02373	3.5
161.04550	5.3
161.05788	1.2
162.02786	0.9
163.03955	5.1
165.05530	1.2
173.04530	19.3
173.05975	2.2
174.04883	1.1
175.03954	1.5
175.07608	1.2
177.05504	1.1
178.02628	1.0
179.03448	2.1
179.05548	3.5
187.07605	2.1
191.05577	41.4
192.05949	2.9
193.04993	1.5
201.05534	1.3
201.09059	1.5
201.14952	11.2
203.07178	3.4
204.07874	1.4
205.08670	1.3
211.05963	1.9
214.06342	1.2
217.08713	1.1
221.06570	1.6
229.08694	1.2
230.09525	2.4
232.07419	4.3
233.08215	1.3
247.09850	3.1
248.10561	2.6
263.07727	1.1
283.02466	1.8
284.03217	1.1
285.03729	1.3
315.19614	1.1
323.09872	3.4
327.08926	1.2
327.16187	1.2
345.17010	1.8
359.23550	1.2
359.28104	24.0
360.28226	2.2
371.15060	1.3
389.16235	5.4
407.17139	5.8
419.22226	1.1
521.33423	98.5
522.33868	16.0
537.27502	1.4
563.21393	16.9
564.21753	3.5
581.21332	10.6
582.22925	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	581.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.1
61.98721	100.0
65.74354	0.2
71.78986	0.2
72.62985	0.2
73.27518	0.2
78.95805	1.7
109.95393	0.2
121.02879	0.4
136.96510	0.2
152.99603	0.4
168.04272	0.3
186.26283	0.2
224.06982	0.4
230.12772	0.3
279.23340	2.7
280.23691	2.5
281.24042	1.8
282.24329	0.8
300.68036	0.2
504.31052	1.6
505.31741	0.8
506.31897	1.1
507.31961	2.8
581.32086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
61.98712	4.4
71.01274	12.0
71.06550	4.6
73.02859	2.5
78.95791	2.3
81.48148	1.9
84.02753	1.9
85.02863	3.3
96.95915	5.9
101.02356	2.3
113.02371	6.2
148.05235	26.9
152.44182	1.8
161.04504	12.9
163.07584	16.1
183.13966	3.4
195.13890	4.6
213.14960	71.1
214.15324	3.6
225.10434	1.9
237.14906	3.3
238.48425	1.7
249.15106	3.2
276.23795	1.8
424.97470	2.0
581.23608	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	581.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	2.0
63.96123	0.9
68.00548	0.4
69.03348	0.9
71.01273	6.6
71.57888	0.7
73.02822	1.9
78.95813	1.5
78.98486	6.0
79.95623	10.1
80.96411	65.5
81.03329	0.5
85.02856	2.4
87.00771	2.3
93.03334	0.3
94.97985	14.7
96.95907	3.7
97.02863	1.5
99.00763	0.8
99.04457	0.5
101.02336	3.1
106.97997	2.6
122.97473	5.2
125.02339	3.7
127.03980	0.7
134.97513	3.7
136.99074	1.4
148.99074	6.3
152.98569	7.1
152.99667	0.6
164.98584	12.7
167.00171	0.5
182.99654	2.7
191.05638	0.4
206.99663	3.3
216.77040	0.3
225.00745	18.9
226.01093	0.6
243.01814	1.8
255.23393	0.7
281.03470	0.4
281.24954	3.6
283.26483	0.7
299.04492	3.1
301.28366	0.4
317.19177	0.4
337.11331	0.4
435.48325	0.4
581.30121	100.0
582.30457	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	581.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
57.03342	0.7
59.01266	100.0
60.01604	0.8
60.99189	0.6
61.98728	3.6
62.68527	0.3
67.01789	0.9
69.03353	0.6
71.01269	4.5
71.59283	0.4
72.99217	0.7
73.02849	1.6
75.00771	0.4
77.11226	0.2
78.95813	0.8
81.03342	0.4
83.01301	0.6
85.02847	4.1
87.00766	3.7
88.98721	1.0
89.02345	1.1
93.03359	5.9
94.03748	0.3
95.01302	0.7
96.36308	0.3
96.95918	5.8
97.02882	0.9
99.00779	0.7
101.02347	1.4
108.02077	0.5
109.02863	0.6
111.00818	0.7
111.04418	1.2
112.01576	0.3
113.02368	2.9
119.05005	0.4
125.02377	0.4
127.10518	0.3
129.01837	0.3
133.02831	0.6
134.03677	0.5
135.04472	1.0
137.02420	0.9
145.02853	0.3
147.03459	0.3
147.04440	1.2
148.01639	0.6
149.05980	0.7
151.22572	0.3
154.02718	0.4
155.03467	0.7
159.04443	0.3
160.01595	0.5
161.02426	1.2
161.04544	0.8
163.03992	1.3
164.04610	0.4
172.05327	0.3
173.02440	0.3
173.02742	0.3
173.04523	6.5
173.06023	0.5
174.03291	0.5
174.06892	0.3
175.00290	0.4
175.03998	0.8
175.07544	0.7
177.09227	0.3
179.03517	0.5
179.07263	0.3
183.02983	0.4
186.06898	0.7
187.07663	1.5
191.05588	14.5
192.05945	0.6
193.05054	0.3
195.06699	0.7
200.04662	0.4
201.04056	0.9
201.05681	0.6
201.09241	0.6
202.04225	0.3
203.03452	0.5
203.07277	1.5
204.07785	0.3
205.05124	0.9
205.08742	0.7
214.06447	1.2
214.87773	0.3
215.07187	0.9
223.06064	0.4
229.08769	1.5
230.09436	0.8
231.03085	0.4
232.07465	0.8
233.08313	2.8
247.09888	1.4
248.10440	0.4
251.09319	1.2
274.08609	0.7
306.11145	0.4
317.21210	2.1
327.16281	0.4
329.14215	0.3
345.17285	0.4
371.15091	1.9
389.16248	1.4
390.16443	0.3
407.17499	0.6
413.23233	0.4
423.13174	0.6
424.13818	0.3
425.14948	0.3
461.25589	20.7
462.25916	3.1
479.26663	2.2
484.15994	0.4
521.27246	1.4
545.20422	0.3
563.21478	7.1
564.22113	1.3
581.22168	3.7
582.22034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98883	0.2
59.01265	100.0
59.14425	0.2
60.01603	0.8
63.66637	0.3
71.01273	2.3
73.02850	0.7
80.34566	0.3
83.01356	0.3
84.60902	0.3
85.02852	2.2
87.00788	0.5
89.02345	0.4
93.03377	0.4
95.01274	0.5
97.02888	0.3
99.00791	0.3
101.02360	0.8
112.01608	0.4
113.02361	2.6
117.03395	0.5
119.04974	0.4
131.53090	0.3
143.04985	1.0
145.02893	1.8
161.04549	0.5
163.04036	0.3
168.47145	0.3
173.04524	0.4
187.03978	0.6
191.05632	1.3
229.68867	0.3
233.08282	0.5
251.09364	0.5
317.21347	2.5
342.82562	0.3
349.09616	0.3
383.63779	0.4
461.25574	18.4
462.25949	2.5
479.26175	1.9
480.26920	0.4
521.28156	1.2
563.21771	0.6
581.32104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01609	1.0
60.03889	0.3
61.98724	0.9
66.99218	0.3
67.65581	0.3
69.60457	2.4
71.01270	2.8
72.40635	0.3
72.99214	0.3
73.02844	0.9
75.00761	0.4
78.15011	0.3
78.59829	0.3
78.95840	0.4
83.01289	0.4
85.02827	1.4
86.33241	0.3
87.00777	0.4
89.02355	0.5
93.03396	0.6
96.95943	0.7
98.20502	0.6
101.02367	1.7
113.02367	0.9
116.92767	0.5
119.97209	0.3
124.25475	0.3
145.02914	0.5
161.04485	0.6
163.04062	0.3
173.04601	0.8
191.05638	1.7
233.08284	0.5
270.50406	0.3
282.57126	0.3
295.52542	0.3
317.21490	1.3
356.15277	0.3
387.84451	0.3
461.25510	4.3
462.26071	0.7
479.26663	4.1
521.27631	2.8
545.11542	0.3
568.10303	0.3
581.30157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.9
55.92203	1.0
59.01266	28.7
61.98719	45.6
69.03352	1.4
71.01273	45.1
71.04906	1.6
71.59740	2.4
72.01610	2.0
72.99186	1.8
73.02839	14.0
83.01277	6.0
83.04907	2.3
83.50061	1.2
85.02843	20.8
87.00767	3.6
87.75766	1.2
89.02341	22.1
90.51509	1.0
93.03369	8.3
95.01293	3.2
96.83411	1.2
96.95909	3.4
97.02872	2.8
99.00784	13.9
101.02345	31.8
102.02712	1.5
111.04436	1.6
113.02361	13.3
115.03892	1.6
119.03425	1.9
119.04929	4.1
119.33022	1.2
120.05242	1.3
123.04426	1.3
125.02375	4.2
127.03947	1.7
131.03403	3.1
137.02385	3.6
139.07632	1.4
143.03435	2.9
145.02882	1.9
149.04485	5.4
152.01051	3.7
155.10727	3.8
159.02985	1.3
161.04488	8.3
163.03963	4.3
167.03549	1.3
173.04510	4.1
191.05602	17.4
192.05942	1.8
193.93442	1.2
211.07697	1.6
224.30630	1.1
227.16589	6.1
233.06660	2.0
243.56319	1.2
307.49753	1.1
389.21906	5.6
485.99350	1.2
521.26160	100.0
522.26398	15.3
581.14832	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	581.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07580	0.9
55.01779	1.4
57.03347	1.4
59.01266	15.2
61.98711	3.3
69.54046	4.5
69.54477	3.5
71.01276	35.2
72.99197	1.8
73.02834	9.9
74.30258	0.9
77.43132	1.0
79.43407	0.9
83.01286	3.7
85.02847	13.0
87.00776	2.8
89.02338	10.5
89.48903	1.0
93.03348	4.6
95.01295	1.8
96.95918	6.8
98.19662	1.2
99.00790	7.1
101.02354	20.3
113.02364	10.1
115.03927	2.1
119.03426	1.4
119.04993	1.9
125.02338	1.8
131.03421	1.0
134.03667	2.0
137.02385	3.2
143.03461	0.9
149.04486	3.1
149.06013	0.9
155.49327	0.9
159.02946	1.5
161.04541	8.3
163.03972	2.2
170.94055	1.0
173.04529	3.8
175.53264	1.0
178.02609	1.9
191.05582	11.6
192.05878	1.6
193.05048	2.9
233.06613	1.3
253.76604	1.0
352.96439	1.0
389.21985	6.1
521.26202	100.0
522.26422	15.4
547.13959	1.0
575.21539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69512	0.8
59.01264	33.4
61.98713	1.2
71.01273	9.1
71.28171	1.6
71.28510	1.0
73.02839	8.2
80.44206	0.7
81.03356	5.3
83.01290	1.7
85.02859	3.2
89.02341	3.7
90.60245	0.8
96.95963	1.0
97.06490	7.9
101.02357	7.7
109.06516	3.7
112.11900	0.8
113.02358	3.2
119.03487	1.0
123.08049	2.1
125.02378	0.9
127.07574	18.3
131.03394	1.1
135.08110	3.3
143.03439	1.2
147.11768	0.9
157.35559	0.8
161.02368	2.7
163.11253	2.2
165.12766	7.9
179.03403	0.9
183.13918	6.9
184.14096	0.8
189.12811	10.5
191.05576	3.2
196.05717	0.9
198.52312	1.1
203.05725	1.2
271.20749	20.3
289.21817	48.0
290.22049	5.4
315.19846	1.3
333.20801	100.0
334.21103	12.5
357.20718	9.4
461.25220	1.1
537.27362	3.0
581.33685	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	581.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
55.21466	0.7
59.01265	100.0
67.21935	0.6
68.08103	0.6
69.03317	0.7
69.38747	3.1
69.39173	3.4
71.01269	16.4
73.02835	10.5
78.95840	0.9
83.01271	1.4
85.02831	4.1
87.00782	1.1
89.02346	7.5
95.01321	2.0
96.95912	2.0
98.19844	1.5
101.02342	11.4
113.02361	10.9
119.03429	3.0
131.03474	1.1
132.03860	0.7
143.03476	0.8
161.04523	5.4
179.05577	1.2
191.05597	3.1
193.19553	0.7
220.34203	0.7
246.70517	0.7
271.02585	1.3
299.02026	2.1
315.19833	0.9
330.59311	0.6
333.20718	1.7
446.23169	0.8
477.25015	20.9
478.25162	4.3
495.26288	5.4
496.26285	1.0
515.00879	0.7
521.33319	0.9
537.27460	8.8
538.27728	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	81.6
61.98708	1.0
63.13510	0.7
69.23394	2.0
69.23795	8.4
71.01274	5.5
73.02863	5.1
73.03190	0.8
81.03358	1.9
82.19357	1.0
83.01283	2.8
83.59558	0.8
85.02847	3.8
87.00755	0.9
89.02286	1.0
97.02863	2.2
97.06483	4.3
100.54581	0.9
101.02331	4.5
109.06483	2.1
109.25370	0.8
113.02332	2.8
127.07578	22.3
128.07945	1.0
135.04410	1.1
135.08110	1.1
143.03435	1.2
163.11153	1.5
165.12836	4.0
176.64838	0.9
183.13855	9.3
189.12823	2.1
191.05528	1.9
203.05409	0.8
245.69460	0.9
271.20770	7.3
272.21051	1.4
289.21796	62.1
290.22116	8.1
313.21603	1.9
315.19742	3.9
317.21277	3.2
333.20789	100.0
334.21121	14.4
375.21677	2.5
411.01825	1.1
461.25580	6.0
462.25983	1.5
479.26648	1.4
521.27112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.3
57.03331	2.5
58.00464	1.9
59.01265	100.0
61.98734	3.8
65.34458	0.9
69.03367	1.4
70.59492	2.9
70.59856	1.3
71.01271	34.0
72.99198	2.2
73.02841	10.5
75.00751	1.3
78.95792	2.2
79.97472	1.0
83.01286	5.7
85.02842	15.0
87.00768	4.3
89.02339	9.9
93.03352	7.2
95.01311	2.4
96.95908	17.7
96.96870	1.2
97.02827	2.0
99.00771	4.9
101.02339	20.6
111.00768	1.4
113.02355	11.1
115.03978	1.1
117.03401	2.9
119.03441	3.1
119.04940	53.4
119.94795	1.1
121.02845	3.4
125.02367	2.5
133.02873	4.4
134.03566	1.1
135.04449	3.3
137.02397	2.9
143.03519	1.8
145.01796	1.8
145.02875	14.2
149.04535	1.1
151.07588	2.2
161.02402	9.6
161.04457	6.0
162.02705	1.7
163.03966	2.5
173.04533	3.6
179.03496	3.2
179.05652	0.9
191.05545	11.2
193.05029	1.6
195.06592	5.9
195.08203	2.7
255.02992	2.4
263.03690	1.0
271.02524	1.9
283.02567	1.3
287.84088	0.9
288.66824	1.2
289.21793	1.9
299.01929	1.2
300.02710	1.1
316.16641	2.0
333.20718	2.7
342.14734	8.3
451.27075	7.7
461.30984	5.1
462.20398	18.9
477.25089	2.0
495.26236	2.8
537.27258	93.7
538.27490	16.2
563.21643	2.1
576.65656	1.3
581.31702	2.9
582.26215	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	581.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01601	2.1
62.43239	1.6
69.03363	1.5
71.01266	16.9
71.58164	1.7
73.02848	7.2
83.01289	4.1
85.02851	6.8
89.02349	6.6
96.95923	2.3
97.02837	4.4
101.02341	13.9
113.02354	12.6
119.04942	2.8
133.02885	2.8
143.03552	2.1
145.02841	1.9
151.07549	1.6
161.02402	5.9
161.04504	10.3
162.02759	2.5
191.05608	4.1
195.06596	3.7
278.54083	1.6
333.20853	15.8
391.78943	1.8
477.25027	10.4
495.26184	11.2
496.26376	2.0
537.21869	3.3
537.28375	2.6
538.27814	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	581.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87709	0.4
58.00478	1.0
59.01264	100.0
60.01612	1.0
69.03347	0.6
69.51424	3.1
71.01271	22.2
72.01589	0.4
72.99181	0.9
73.02834	26.3
78.95792	7.3
78.96217	0.5
83.01277	7.6
85.02854	2.3
87.00795	0.8
89.02342	8.5
90.10802	0.3
95.01299	1.2
96.95947	0.4
96.96873	4.8
97.02853	0.6
98.19888	0.7
101.02346	26.2
102.02678	0.6
102.98533	0.4
111.04459	0.4
113.02357	11.2
114.02686	0.4
119.03402	4.5
119.04877	0.4
125.02358	1.7
131.03426	3.0
133.02855	0.5
135.04471	0.5
143.03450	3.8
149.04498	6.3
155.03468	0.8
161.02428	1.0
161.04501	9.9
163.96207	0.4
175.30374	0.3
175.93352	0.4
179.03516	1.1
179.05641	1.2
184.24211	0.4
191.05605	1.0
194.05865	0.5
203.05638	1.9
209.08173	0.6
221.06645	4.0
233.09511	5.4
261.13437	0.5
261.81552	0.3
303.14658	1.2
347.17358	0.5
609.60052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37076	0.1
59.01266	4.8
66.32219	0.2
69.43219	1.1
69.43636	0.3
71.01274	1.3
71.20224	0.1
73.02839	0.3
76.50346	0.2
85.02841	0.6
87.00845	0.2
88.98680	0.2
89.03872	0.3
93.03381	0.3
96.95918	0.7
97.02827	0.2
99.00768	0.3
101.02377	0.9
105.03371	0.5
107.04951	0.2
111.00786	0.2
113.02384	0.5
115.01790	0.2
117.03398	0.6
121.02896	0.2
123.04447	0.4
132.02098	1.5
133.02885	36.0
134.03267	1.1
135.04453	9.9
136.04776	0.5
137.02385	0.7
159.04485	0.5
161.02394	100.0
162.02731	5.1
173.04642	0.3
173.06067	0.2
179.03456	5.4
180.03810	0.3
191.05623	0.6
195.06625	0.2
203.03493	0.4
218.12985	0.2
221.19371	0.2
270.77707	0.1
461.31360	0.4
495.22302	2.4
496.22504	0.2
522.24609	0.2
537.23517	62.8
538.23883	10.2
538.32318	0.4
581.22559	0.3
581.31171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21851	0.6
59.01269	9.0
61.98713	0.8
71.01260	2.4
71.13903	1.4
85.02846	1.7
87.00719	0.7
87.76842	0.5
89.02332	0.7
93.03345	2.1
96.95921	3.2
98.87363	0.6
101.02354	1.7
111.40449	0.6
113.02396	1.4
117.03389	0.6
119.04900	0.7
121.02890	2.0
122.03671	4.4
132.02090	2.0
133.02884	37.4
134.03162	4.0
135.03482	0.6
135.04462	10.4
136.04826	1.6
137.02354	2.2
147.04425	1.2
149.02374	7.0
150.03169	32.3
151.03554	1.6
153.09157	3.0
159.04436	0.7
160.01521	0.6
161.02388	100.0
162.02713	11.5
163.02901	3.5
164.04745	1.0
165.05524	29.5
166.05856	1.9
173.04546	0.6
175.03970	6.0
176.04372	0.6
179.03459	6.8
180.04135	2.4
190.06317	2.1
191.05605	1.8
195.06636	15.7
196.06885	0.8
197.08174	1.1
218.05928	1.5
222.05363	2.3
238.06454	0.7
253.05196	1.0
265.05167	1.2
266.05957	1.0
278.05936	1.9
281.04669	0.7
281.08371	0.6
295.09662	0.7
306.05383	1.6
307.06061	1.7
309.04184	0.9
310.04849	0.6
314.99362	0.7
321.07706	4.4
322.08350	1.3
323.09296	2.3
324.06570	1.6
324.09961	0.8
325.07239	3.9
336.10028	1.8
337.07077	3.1
337.10834	0.8
339.08774	3.8
340.09436	3.3
341.10022	0.7
352.09549	0.9
353.10190	1.1
354.11206	2.3
355.11951	8.3
356.12347	1.0
367.11902	13.7
368.12405	2.5
383.08771	0.6
401.14630	1.0
461.31177	1.8
495.22379	2.4
503.16882	4.4
533.18188	8.9
534.18744	1.8
536.22394	1.0
537.23303	61.0
538.23810	9.4
551.19464	4.7
552.19714	1.1
581.20801	9.3
582.21545	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21851	0.6
59.01269	9.0
61.98713	0.8
71.01260	2.4
71.13903	1.4
85.02846	1.7
87.00719	0.7
87.76842	0.5
89.02332	0.7
93.03345	2.1
96.95921	3.2
98.87363	0.6
101.02354	1.7
111.40449	0.6
113.02396	1.4
117.03389	0.6
119.04900	0.7
121.02890	2.0
122.03671	4.4
132.02090	2.0
133.02884	37.4
134.03162	4.0
135.03482	0.6
135.04462	10.4
136.04826	1.6
137.02354	2.2
147.04425	1.2
149.02374	7.0
150.03169	32.3
151.03554	1.6
153.09157	3.0
159.04436	0.7
160.01521	0.6
161.02388	100.0
162.02713	11.5
163.02901	3.5
164.04745	1.0
165.05524	29.5
166.05856	1.9
173.04546	0.6
175.03970	6.0
176.04372	0.6
179.03459	6.8
180.04135	2.4
190.06317	2.1
191.05605	1.8
195.06636	15.7
196.06885	0.8
197.08174	1.1
218.05928	1.5
222.05363	2.3
238.06454	0.7
253.05196	1.0
265.05167	1.2
266.05957	1.0
278.05936	1.9
281.04669	0.7
281.08371	0.6
295.09662	0.7
306.05383	1.6
307.06061	1.7
309.04184	0.9
310.04849	0.6
314.99362	0.7
321.07706	4.4
322.08350	1.3
323.09296	2.3
324.06570	1.6
324.09961	0.8
325.07239	3.9
336.10028	1.8
337.07077	3.1
337.10834	0.8
339.08774	3.8
340.09436	3.3
341.10022	0.7
352.09549	0.9
353.10190	1.1
354.11206	2.3
355.11951	8.3
356.12347	1.0
367.11902	13.7
368.12405	2.5
383.08771	0.6
401.14630	1.0
461.31177	1.8
495.22379	2.4
503.16882	4.4
533.18188	8.9
534.18744	1.8
536.22394	1.0
537.23303	61.0
538.23810	9.4
551.19464	4.7
552.19714	1.1
581.20801	9.3
582.21545	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75193	0.8
51.75884	0.7
57.03330	0.7
59.01267	13.7
61.98724	1.1
65.38779	0.8
69.80479	0.8
70.91031	1.1
70.91346	1.4
71.01254	5.4
73.02842	2.5
78.95777	0.7
85.02853	2.7
87.00767	1.4
89.02341	0.9
93.03355	5.4
95.04898	0.8
96.95920	14.4
99.00789	1.4
101.02358	4.4
113.02351	3.6
119.04970	1.3
121.02884	6.1
122.03657	14.3
133.02870	4.6
134.03679	1.1
135.04445	2.5
135.08081	1.5
137.02347	0.9
145.02917	1.0
147.04489	2.1
149.02385	22.8
150.03169	99.2
151.03479	5.5
153.09152	36.8
153.10422	0.9
154.09508	1.8
161.02388	6.6
161.04495	2.2
163.04044	1.1
164.04724	3.9
165.05530	100.0
166.05902	4.7
172.05226	0.8
173.04564	1.3
175.03969	19.1
176.04495	1.8
177.05528	1.3
179.03459	1.0
180.04242	6.4
181.04977	1.0
182.74342	0.7
188.04755	1.2
190.06287	7.4
191.05579	4.7
195.06609	61.9
196.05295	0.8
196.06964	3.0
197.08171	14.7
202.99089	0.8
218.05786	5.9
222.05325	8.2
238.06369	1.8
241.05162	1.2
248.91795	0.7
253.04997	1.2
254.05739	0.9
265.05157	1.0
266.05829	4.2
269.10556	1.8
277.05182	0.9
278.05887	6.2
279.06497	1.5
281.04590	2.4
281.08276	1.8
282.05328	1.7
291.06836	1.2
292.07291	1.2
294.05338	2.0
294.09021	1.0
295.09796	2.8
297.07596	1.2
306.05524	4.5
307.06131	4.4
308.06674	1.7
309.04160	2.7
309.07556	1.4
310.04840	3.0
320.06995	2.3
321.07718	15.8
322.04984	1.6
322.08466	4.7
323.09244	6.1
324.06424	5.4
324.10062	4.5
325.07224	13.0
325.10709	1.7
326.07938	2.2
335.09488	1.0
336.10052	6.2
337.07205	12.2
337.10785	3.8
338.07745	1.5
339.08792	11.3
340.09482	11.1
341.10175	2.9
352.09531	4.6
353.10336	1.8
354.11087	8.5
355.11932	32.8
356.12338	3.1
367.11932	52.5
368.12228	5.5
383.13657	0.9
401.14682	7.0
445.13120	0.9
459.14484	1.4
461.31174	0.9
462.31097	0.8
473.12589	1.8
488.15073	1.4
489.15729	1.5
503.17178	17.2
504.17346	2.0
515.17194	2.5
533.18274	32.8
534.18469	4.2
537.23511	3.4
551.19403	19.3
552.19684	3.8
552.27600	0.8
563.20917	1.6
581.21393	50.5
582.21973	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	581.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43344	0.2
57.03357	0.2
59.01267	4.9
61.98718	100.0
62.98413	0.3
67.01778	0.4
69.03341	0.4
71.01275	2.1
71.59264	0.2
72.72874	0.1
72.92901	0.2
72.99190	0.8
73.02824	0.9
73.29202	0.1
75.00768	0.2
83.01330	0.2
83.04943	0.2
85.02856	1.6
87.00764	1.6
89.02338	0.9
93.03364	3.5
93.03928	0.3
96.95912	1.4
97.02865	0.2
99.00772	0.2
101.02361	0.9
108.02061	0.2
109.02890	0.2
111.00793	0.2
111.04427	0.9
113.02378	1.0
119.04966	0.5
121.02888	0.2
125.02389	0.3
127.03937	0.3
134.03685	0.5
135.04440	0.7
137.02393	0.5
145.02937	0.3
150.03262	0.2
153.09134	0.2
153.66467	0.2
155.03491	0.4
160.01637	0.2
161.02451	0.4
161.04561	0.4
162.02786	0.2
163.03966	0.2
172.05313	0.2
173.04535	3.4
173.06036	0.4
174.03227	0.2
175.03983	0.4
175.07628	0.5
178.02686	0.3
179.03477	0.2
181.05011	0.9
181.12328	0.5
186.06876	0.2
187.07635	0.3
189.05563	0.3
191.05586	7.6
192.05972	0.4
194.05766	0.2
194.83395	0.2
195.08221	0.2
196.07372	0.9
200.67183	0.2
201.05576	0.3
201.09218	0.2
203.03479	0.2
203.07100	0.9
204.07851	0.2
205.08705	0.3
211.09814	0.6
211.13440	0.3
214.06488	0.3
215.07172	0.3
218.09543	0.2
225.11401	0.4
229.08740	0.4
230.09567	0.6
232.07426	0.9
233.08377	0.9
238.03839	0.2
247.09726	0.8
248.10574	0.5
249.11095	0.2
251.09225	0.3
267.12640	0.3
309.13538	0.4
327.16125	0.3
329.48767	0.2
333.20926	0.5
345.17233	0.4
369.15778	0.2
371.15088	0.4
389.16205	1.2
390.17221	0.1
407.16904	0.8
477.25089	0.2
495.27563	0.2
521.29987	0.3
522.30194	0.2
537.27338	0.2
545.20532	0.2
563.21497	4.0
563.29993	0.3
564.22064	0.6
581.22858	1.9
581.31458	0.3
582.23218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15627	0.3
55.01771	0.6
56.59206	0.4
56.85748	0.3
57.03329	0.7
58.61754	0.3
59.01267	9.7
61.98729	1.9
66.90121	0.4
67.01779	0.6
69.03355	1.0
70.51657	0.7
70.52058	0.6
71.01273	4.4
72.01644	0.3
72.99198	2.2
73.02841	1.5
75.00764	6.6
76.86395	0.3
81.03353	0.4
83.01270	1.2
83.36971	0.3
85.02844	4.4
87.00777	1.3
89.02332	1.6
93.03361	10.7
94.03700	0.5
95.01282	1.7
96.95944	0.8
97.02813	0.5
99.00782	1.3
101.02355	1.8
107.04940	0.5
108.02080	55.8
109.02908	9.8
111.04411	0.7
113.02357	2.1
115.00225	0.4
116.92786	1.4
117.92750	0.4
119.04947	2.2
121.02876	2.1
122.03596	0.4
123.00800	0.9
123.04480	0.6
125.02372	0.4
127.03947	0.5
133.02863	0.5
134.03677	1.1
135.04443	2.1
137.02377	14.5
138.02684	0.7
145.02922	0.9
146.03648	0.5
147.04422	0.5
149.02380	0.5
149.04486	0.6
151.00320	0.8
151.03958	7.9
152.01096	100.0
153.01598	5.2
153.05486	0.5
155.03383	0.4
159.04411	0.4
161.04568	0.3
163.03969	4.5
163.15314	0.3
164.04393	0.4
167.03479	0.4
173.04494	2.4
175.03926	0.8
177.01910	1.0
179.03493	1.3
179.07083	1.4
187.03897	0.6
189.05595	0.4
191.03975	0.3
191.05585	7.3
191.06976	0.4
192.05872	0.7
193.04990	1.0
197.04539	1.5
207.03044	0.5
211.07712	1.9
227.03491	2.1
228.03763	0.9
229.03845	0.5
229.04950	0.5
230.05415	0.4
231.05539	0.5
255.03062	2.5
256.03467	1.9
257.03558	2.2
258.04626	0.5
258.99503	0.5
269.08340	0.4
284.03366	3.6
285.03931	6.8
286.04233	6.4
287.04657	4.8
297.06049	0.5
299.09308	0.4
311.09427	0.5
314.11557	0.6
315.07385	1.0
327.08774	0.7
329.14026	2.4
341.14023	0.9
345.16998	0.4
359.15073	0.4
389.16141	1.3
429.10461	26.3
430.10837	2.2
437.16718	0.6
457.13562	0.4
521.26111	1.2
563.21069	0.4
580.14587	0.5
581.15082	82.7
582.15411	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	581.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.5
59.01266	3.2
67.01807	0.4
68.07050	0.3
69.03332	0.4
71.01275	5.7
72.99205	0.5
73.02839	2.3
81.02183	0.3
81.03374	0.4
83.01286	1.0
85.02843	2.5
87.00742	0.4
89.02324	1.0
91.05437	0.6
93.03378	0.9
95.01283	0.5
95.04926	0.3
96.95916	0.5
97.02833	1.7
98.19848	0.8
99.00778	4.2
99.74548	0.3
101.02351	4.3
105.03415	0.4
105.78118	0.3
106.04163	0.5
107.04939	1.5
107.62376	0.3
109.02817	0.5
113.02361	2.3
116.92796	1.9
117.03393	1.0
121.02871	0.6
123.04427	0.9
124.01588	0.4
125.02358	5.5
125.14296	0.3
131.03453	0.4
132.02084	0.7
132.23178	0.3
133.01855	0.5
133.02878	13.2
134.03680	6.8
135.04446	100.0
136.04787	4.1
137.02368	0.6
149.02437	0.4
161.02390	47.0
161.04553	1.8
162.02745	2.3
173.04507	0.6
179.03461	76.0
180.03815	3.3
191.05612	2.2
212.68478	0.4
258.05331	0.3
353.08783	1.0
419.12289	1.9
455.12042	4.9
456.12332	0.5
581.15247	56.5
582.15656	9.7
602.66260	0.4
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
59.01261	45.1
60.01620	3.0
60.30362	2.4
69.03342	4.5
71.01277	5.8
73.02823	2.9
78.95808	14.8
81.09996	2.7
83.01286	2.5
85.02843	9.5
87.00787	21.5
89.02346	3.5
93.03367	11.1
96.95912	32.3
96.96856	14.9
97.02850	3.9
98.20573	5.2
99.00794	3.3
101.02357	4.2
111.00856	4.6
111.04480	4.7
113.02369	6.6
115.05445	4.9
117.03389	32.0
119.04947	31.3
121.02872	3.6
122.03669	3.5
133.02888	20.4
135.04465	9.0
143.04964	97.5
144.05296	5.9
145.02893	100.0
146.03217	4.5
147.04396	15.6
150.03169	8.2
161.02382	48.8
161.06015	7.2
162.02721	15.0
163.02827	4.9
163.03978	31.4
165.05527	11.2
167.72940	2.5
173.04581	4.4
179.03407	4.3
187.03975	42.5
188.04370	3.5
191.05582	27.5
195.06647	11.3
201.04024	22.6
227.14264	2.6
233.09534	23.8
347.18723	11.2
349.09436	17.9
367.11963	6.5
389.08920	5.3
412.71503	3.0
433.62537	2.8
443.02521	2.9
495.13123	5.2
521.31689	3.0
536.22681	8.0
537.14075	9.1
537.22791	28.2
563.21423	10.0
581.22015	4.1
581.31757	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	581.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70792	0.4
55.01772	0.6
59.01255	2.4
69.03354	0.6
69.38625	2.8
69.39061	1.4
71.01274	5.2
72.99205	0.6
73.02829	2.6
75.00769	0.4
83.01295	1.1
85.02861	1.5
87.00794	0.5
89.02348	0.9
89.03900	0.5
93.03387	0.7
95.01279	0.5
97.02869	1.9
98.19883	0.9
99.00773	4.4
99.54989	0.5
101.02354	4.7
107.04934	1.7
113.02370	2.2
116.92768	1.5
117.03364	1.3
123.04448	0.6
125.02370	4.1
132.02104	0.9
133.02882	15.8
134.03680	8.2
135.04449	100.0
136.04781	3.8
137.02315	0.6
149.02371	0.4
150.03143	0.5
161.02394	43.6
161.04568	1.7
162.02786	2.2
171.94565	0.4
173.04515	0.5
178.02769	0.7
179.03462	62.4
180.03786	3.6
191.05605	2.4
194.54041	0.4
281.06424	0.5
328.03561	0.4
355.37320	0.4
419.12097	2.2
455.12091	3.3
456.12476	0.5
581.15253	51.1
582.15460	7.1
582.23627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.5
59.01266	67.6
61.98721	14.3
63.29740	2.0
67.01769	1.9
69.03344	3.5
69.90534	10.2
71.01268	19.7
72.99198	3.7
73.02831	2.6
75.27654	1.6
83.01307	3.8
85.00327	2.1
85.02838	7.8
87.00786	14.1
89.02345	5.1
93.03361	33.1
94.03702	2.1
95.01277	5.9
95.04932	11.9
96.95906	7.1
96.99212	2.3
97.02842	4.0
97.06510	1.6
97.99990	4.0
99.00778	4.7
101.02336	6.6
104.57199	1.7
109.02888	2.3
111.00792	6.1
111.04421	7.2
113.02340	6.5
117.03375	3.9
119.04942	29.5
120.05288	2.1
121.02876	7.0
129.01814	2.7
131.04953	2.6
133.02824	2.1
137.02350	2.9
139.03955	11.4
139.16785	1.8
143.04938	4.5
145.02866	11.8
147.04451	16.1
155.03470	2.9
161.02403	2.1
161.04614	2.5
163.03963	24.6
171.04391	3.0
172.12256	2.0
173.04543	16.5
173.05905	3.6
175.03990	2.7
175.07605	2.1
183.02979	3.1
187.07666	2.8
191.05597	37.3
195.08138	100.0
196.08440	13.4
201.04005	4.7
203.07141	5.2
219.05016	3.6
219.08199	2.6
221.09654	2.2
223.11159	3.3
232.07402	3.6
233.08217	3.6
240.45575	1.7
243.05138	6.8
247.09735	5.1
249.09227	8.0
267.10364	11.9
268.10349	2.3
281.03159	22.1
291.10370	9.1
292.10553	2.9
293.08304	4.9
311.09406	17.3
312.09607	2.1
333.20630	2.7
389.16013	7.0
390.16522	2.6
407.17346	4.3
477.11996	20.4
478.12463	4.3
495.13266	2.5
521.32947	6.7
537.14209	16.5
537.27295	8.6
538.14691	3.1
563.21515	16.0
568.09991	2.1
581.22455	7.9
581.31274	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	580.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04002	0.2
51.63587	0.2
55.06529	0.2
55.34155	0.2
59.01262	17.0
61.98719	2.2
62.51880	0.1
63.99133	0.2
67.25436	0.2
70.09076	0.3
70.09486	0.7
71.01272	0.4
78.95792	5.3
78.98499	0.2
79.95625	0.4
80.96409	3.0
82.95979	0.3
85.02867	0.2
89.01263	0.2
94.97977	0.7
96.95920	1.3
97.31033	0.2
98.18423	0.2
108.18500	0.2
110.03887	0.2
115.97764	0.2
125.02339	0.2
127.44167	0.2
134.97530	0.3
152.99550	1.4
164.98553	0.3
168.04233	1.7
224.06990	0.7
225.00769	0.6
226.00876	0.2
242.08055	2.3
243.08180	0.2
281.24911	100.0
282.25253	9.3
320.27695	0.2
404.35568	0.2
411.70135	0.2
414.89572	0.2
506.32614	37.7
507.32996	5.6
580.19659	0.4
580.28857	6.1
580.37628	0.4
581.28894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69187	1.6
57.61105	1.5
59.01268	100.0
69.03355	3.1
70.94487	2.9
70.94814	2.4
71.01259	15.9
72.99196	2.0
73.02834	5.9
81.03368	1.5
83.01296	4.9
85.02834	10.4
85.62435	1.5
87.00770	14.9
89.02328	4.3
90.22813	1.5
93.03355	8.6
97.02884	2.6
99.00778	3.3
101.02349	7.2
106.20979	1.4
111.00817	3.3
111.04404	1.9
113.02365	5.5
115.05460	3.4
117.03386	26.6
119.04954	26.2
135.04398	1.8
143.04973	51.3
144.05341	3.3
145.02899	75.1
146.03217	3.0
147.04466	12.2
149.94064	1.5
161.04515	2.2
161.06024	4.4
163.03960	29.4
173.04478	9.1
187.03996	26.3
187.07501	1.7
191.05600	22.1
201.04010	10.1
215.07098	2.5
230.09569	1.8
233.08228	6.0
241.09344	1.4
247.09789	4.2
251.09296	4.4
315.19565	2.9
333.20654	3.5
349.09451	8.3
375.21979	4.0
389.09048	4.4
423.12949	1.7
433.62759	1.8
439.01309	1.6
449.27475	7.9
461.25641	12.0
479.26434	4.1
521.27686	2.5
537.14038	10.0
537.26013	2.4
563.21539	10.3
581.22693	4.7
581.31866	79.2
582.31915	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	580.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17948	0.2
59.01266	20.8
66.46913	0.2
67.55276	0.3
71.50137	0.5
78.95794	21.2
96.95932	1.5
96.96864	0.5
99.60590	0.3
122.98446	0.4
146.07059	0.2
149.51813	0.2
152.99516	3.2
157.03589	0.2
158.99469	0.2
167.10599	0.3
168.04263	3.3
171.23145	0.3
185.11772	0.5
224.06931	7.8
242.08002	1.9
255.23109	0.3
281.24911	100.0
282.25259	9.7
393.02231	0.3
506.32608	78.6
507.32913	11.0
521.29083	0.5
563.13531	0.3
575.05811	0.3
581.36981	0.9
602.52448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	11.6
59.05626	0.8
62.80680	0.8
71.01261	1.8
71.57545	1.1
78.95782	2.1
79.78922	0.9
88.34869	0.8
89.02327	1.9
101.02330	3.6
105.46406	0.8
113.02337	1.0
143.57343	0.8
151.00252	1.4
161.04471	1.2
235.08237	1.1
253.09309	11.7
255.23299	0.9
283.26471	100.0
284.26816	8.4
318.51456	0.8
355.29965	0.9
356.74664	0.9
449.67075	0.8
463.34555	0.9
529.37701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.6
57.03339	4.3
58.00473	2.5
59.01268	38.2
59.43197	1.0
59.44722	0.8
61.98708	5.1
67.01783	1.2
69.03381	0.8
71.01276	30.2
72.99209	2.7
73.02837	6.6
75.00750	1.4
83.01272	4.3
85.02847	13.9
87.00773	7.0
89.02328	13.3
93.03362	8.0
95.01302	1.6
96.95918	1.1
97.06508	1.8
99.00793	3.1
101.02348	19.4
108.02077	0.8
111.00806	1.6
111.04439	1.1
113.02357	11.8
114.22154	0.8
114.42976	0.8
119.03428	4.5
119.04933	4.7
121.10154	1.7
125.02390	0.9
127.11222	1.2
129.01837	1.2
131.03398	0.8
131.27328	0.9
133.02834	5.8
134.03673	3.7
135.04437	2.7
136.01698	0.8
137.02405	0.9
143.03409	1.0
145.02899	3.4
147.04454	0.8
149.05988	1.2
155.03426	1.6
159.02931	1.9
160.01648	1.0
161.02405	17.7
161.04419	4.1
162.02867	1.2
163.03981	3.7
171.13852	1.4
173.04547	6.1
175.03894	1.3
179.03496	2.0
179.05548	1.4
191.05591	12.5
192.05960	1.2
193.05034	2.9
193.07137	0.7
200.14151	2.8
201.14847	1.4
211.07687	1.1
219.56955	0.9
225.07858	0.9
229.18005	1.7
284.03317	2.0
285.03979	2.7
303.14273	0.9
321.24274	1.2
327.08542	1.2
337.09427	1.0
339.25519	1.4
357.26590	12.1
362.19501	2.8
394.18591	1.0
483.78604	0.9
519.31891	100.0
520.24884	1.4
520.32281	18.9
535.21881	10.7
536.21857	1.2
541.45544	0.8
570.37769	1.0
579.14398	1.5
579.26929	1.8
579.32861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.9
56.40897	0.2
57.03345	1.7
58.00473	1.1
59.01266	17.6
61.98708	0.7
68.99692	0.3
69.03343	6.9
69.42561	2.7
71.01271	23.9
71.04907	0.7
72.01638	0.3
72.99215	1.8
73.02837	5.9
74.61929	0.3
75.00736	0.3
77.89996	0.3
78.95790	1.0
82.34505	0.3
83.01287	3.7
85.02843	13.0
85.06478	1.1
85.99995	0.4
87.00771	1.1
89.02341	7.6
93.03359	1.2
95.01293	2.6
96.21737	0.3
96.95918	5.7
96.96822	1.3
97.02853	17.1
98.03180	0.5
99.00779	2.3
99.04421	31.4
100.04756	0.6
101.02348	14.5
102.98486	0.4
105.29175	0.3
111.00786	0.3
111.04421	0.3
113.02357	10.3
115.03921	4.0
119.03393	2.9
125.02377	0.6
125.09670	0.4
129.01849	0.7
133.02864	0.9
135.04427	0.9
143.03421	0.7
143.44633	0.3
159.02957	1.2
161.02408	2.3
161.04472	3.6
167.10799	0.3
173.04472	0.4
179.03398	0.4
191.05583	2.6
192.06006	0.3
205.08681	0.3
261.22272	0.8
263.23987	0.4
275.23807	0.6
277.89047	0.3
291.23477	1.3
301.22009	0.5
305.01154	0.4
313.18137	1.6
314.18600	0.3
317.21204	1.4
319.22864	9.5
320.23163	0.8
331.19116	0.6
333.00589	0.6
335.22302	4.3
336.22601	0.4
357.85602	0.3
373.27640	1.1
399.25616	0.5
401.27005	0.7
417.26584	16.4
418.26923	2.3
453.28876	1.4
479.26498	2.4
480.26910	0.5
497.27664	2.1
579.31866	100.0
580.32196	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
57.03337	1.9
58.00464	1.2
59.01263	15.6
60.01608	0.4
61.98704	1.0
66.79916	0.3
67.01771	0.6
69.03343	14.4
71.01270	26.8
71.04895	0.6
72.99196	1.2
73.02837	7.0
75.00761	0.4
78.95789	1.5
83.01283	2.9
83.04874	0.4
85.02844	12.5
85.06462	1.9
85.99993	0.5
86.03188	0.4
87.00758	1.2
89.02338	7.3
93.03349	0.6
95.01291	2.2
95.04926	0.4
96.91100	0.3
96.95912	5.7
96.96864	1.2
97.02851	33.5
98.03185	1.1
99.00783	2.5
99.04420	25.5
100.04752	0.6
101.02347	14.4
102.98512	0.4
111.00845	0.4
113.02359	10.5
113.54536	0.4
114.02681	0.4
115.03920	9.0
119.03433	2.2
125.02331	0.4
125.09595	0.4
129.01801	0.5
133.02888	0.7
135.04425	0.9
143.03404	0.5
149.45822	0.4
150.76105	0.3
159.02983	0.7
161.02461	2.0
161.04494	4.0
173.04570	0.4
179.05588	0.5
186.13760	0.3
191.05569	1.2
237.44673	0.4
256.57297	0.3
261.22284	0.6
275.23785	1.5
276.24408	0.4
277.36316	0.4
291.23395	1.3
301.21780	1.7
313.18106	0.8
317.21219	0.9
319.22842	17.9
320.23163	2.7
329.17389	0.4
329.28568	1.0
335.22385	3.2
336.22702	0.4
373.27557	1.8
374.27408	0.4
399.25464	0.7
417.26553	34.4
418.26996	4.7
453.28555	0.9
479.26196	1.8
497.27747	1.6
579.31879	100.0
580.32202	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	579.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26052	0.2
59.01271	1.7
60.01587	0.2
61.98718	100.0
62.98419	0.3
65.00222	0.7
71.01275	0.9
71.57967	0.4
72.46095	0.2
78.19940	0.2
78.95791	1.7
78.98478	0.4
79.95633	0.6
80.96413	3.5
81.95219	0.4
82.95991	2.7
82.96857	0.3
83.01246	0.3
85.02841	0.4
87.00805	0.4
90.86384	0.3
93.03352	0.5
93.83504	0.2
94.97999	0.9
96.97554	0.5
99.04433	0.2
101.02332	0.2
107.01315	1.1
119.04953	2.1
124.97128	0.3
125.02412	0.4
151.00307	4.2
152.98508	0.3
160.98097	0.2
164.09470	0.3
164.67914	0.2
164.82436	0.2
164.98712	0.3
166.98164	0.6
173.04562	0.3
177.01923	0.4
191.05568	0.4
224.06989	0.3
225.00859	0.6
225.07373	0.3
226.00996	0.3
227.00430	0.9
271.06204	2.8
272.06537	0.3
277.21811	2.0
278.22095	1.9
279.22473	1.3
280.22787	0.7
313.07602	0.3
318.58914	0.2
427.40604	0.3
431.24118	0.3
459.11511	1.4
502.29614	1.4
503.30197	0.5
504.29910	1.2
505.30371	2.3
551.15869	0.2
578.27838	0.3
579.17456	9.5
579.27460	11.0
580.17804	1.9
580.27563	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.3
59.18950	0.1
60.01595	0.2
61.01687	0.3
61.98716	100.0
71.01270	0.1
71.57772	0.1
77.01196	0.1
78.95798	1.4
107.01352	0.1
119.04944	0.1
134.76521	0.1
150.76146	0.1
151.00348	0.2
152.99533	0.5
168.04257	0.1
191.05571	0.2
199.13451	0.1
214.09579	0.1
242.08107	0.2
243.08504	0.1
244.08493	0.1
244.47632	0.1
277.21780	4.5
278.22134	5.9
279.22421	3.7
280.22714	1.8
296.23618	0.1
329.74942	0.1
365.22897	0.1
365.26660	0.5
417.15823	0.1
502.29572	1.0
503.30048	0.9
504.30099	1.5
505.30350	3.4
506.30728	0.1
561.28802	0.3
579.00543	0.1
579.17615	0.2
579.30457	0.5
580.17731	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	579.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.1
63.96124	1.6
65.62055	0.4
69.03346	0.9
71.01276	8.3
71.32822	0.8
73.02835	1.4
76.85754	0.3
78.95807	0.9
78.98487	6.3
79.95628	10.3
80.96415	69.7
81.03367	0.8
81.96375	0.7
82.19085	0.4
85.02853	3.0
87.00779	2.6
94.97987	15.6
96.95908	3.4
97.02853	1.7
99.00784	0.7
99.04434	0.4
101.02352	2.5
106.97997	3.0
113.02354	0.8
122.97520	5.1
125.02371	3.6
127.03918	1.0
134.97516	4.5
136.99091	1.3
146.97533	0.5
148.99100	6.2
152.98569	6.9
152.99669	0.5
160.84196	0.4
162.83911	0.7
164.98598	10.9
167.00130	0.6
182.99678	1.3
191.05629	0.8
206.99667	2.8
225.00771	17.4
226.01056	1.0
243.01843	1.0
279.23364	3.0
280.23685	0.5
299.04517	3.1
515.50891	0.3
579.28589	100.0
580.28961	19.2
580.36322	0.3
580.38739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03353	0.3
59.01278	1.1
59.76584	0.2
61.98721	0.7
63.96124	1.2
68.14966	0.2
69.03345	0.6
70.37381	0.2
71.01276	6.4
71.30173	0.3
71.30507	0.3
72.99211	0.4
73.02834	1.7
76.34938	0.2
78.95805	0.6
78.98487	5.4
79.95631	10.3
80.96416	66.1
81.03361	0.9
81.96381	0.4
83.01306	0.3
83.76871	0.2
85.02853	3.2
85.60104	0.2
87.00781	2.5
88.83289	0.2
94.97993	15.4
95.01297	0.2
96.95922	3.8
97.02863	1.5
99.00812	0.6
99.04426	0.2
101.02357	2.8
106.98000	3.0
113.02357	0.4
122.97503	3.6
125.02371	3.0
127.03913	0.7
134.97531	4.4
136.99112	1.4
143.03394	0.3
148.99089	6.4
149.00284	0.3
152.98576	5.3
164.98598	11.7
165.98889	0.4
167.00166	0.6
188.98499	0.3
191.05702	0.2
206.99718	2.5
225.00769	15.5
226.01256	0.3
241.05095	0.2
245.04407	0.3
279.23386	1.9
281.24976	0.8
299.04504	3.3
343.01276	0.5
506.32407	0.6
579.28607	100.0
580.28931	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	579.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	8.7
68.99709	1.1
70.10075	0.8
71.01274	4.2
73.02829	5.6
80.02694	1.0
83.01277	1.3
85.02882	1.4
97.02827	4.8
99.00793	3.0
100.08354	1.0
101.02358	3.1
122.03703	2.7
127.07614	1.1
150.68130	1.1
152.64932	1.0
161.09741	1.7
173.09686	1.4
187.11189	1.7
189.12840	21.8
190.13171	1.6
191.07153	4.8
205.08705	18.4
206.08905	1.0
222.88876	1.0
230.47995	0.8
269.19205	3.9
283.17297	1.6
313.18176	100.0
314.18475	9.2
331.19186	16.0
332.19507	1.5
355.19269	6.8
373.20251	3.1
479.26877	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99262	0.3
52.67382	0.3
55.01782	0.4
57.03335	0.5
58.00481	0.3
59.01272	1.7
60.18040	0.3
63.96128	1.4
69.03354	1.2
71.01272	7.9
72.36845	0.3
73.02845	2.2
78.95793	0.5
78.98486	6.3
79.95630	10.0
80.96414	73.7
81.03341	0.8
83.01276	0.6
83.04908	0.5
85.02844	3.7
86.10950	0.3
87.00777	3.0
89.02354	0.4
94.97991	16.3
95.01299	0.4
96.95907	1.2
97.02858	2.0
97.47530	0.3
99.00786	0.6
99.04416	2.5
101.02351	3.4
102.02642	0.3
106.97992	3.2
113.02359	0.8
122.97501	5.8
125.02387	3.7
127.03960	0.8
134.97522	4.7
136.99084	1.5
148.99084	5.9
149.99361	0.4
152.01151	0.4
152.97289	0.4
152.98570	7.6
160.84186	1.3
161.04546	1.7
162.83865	2.5
164.98595	12.6
167.00206	0.6
167.03545	0.4
179.00075	0.4
182.99699	2.4
191.05597	0.9
206.99670	3.4
225.00774	21.2
226.01152	0.7
229.76469	0.3
243.01823	2.2
279.23358	3.5
299.04437	2.9
317.21222	0.8
335.22391	0.3
417.26599	12.5
418.26904	1.6
579.28601	100.0
580.10339	0.6
580.28925	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	21.0
61.98702	5.9
71.01276	14.0
71.57996	2.6
72.99187	1.4
73.02830	9.2
78.95809	2.4
81.03366	3.0
82.95308	1.4
83.01260	2.0
83.31575	1.5
84.95007	3.9
85.02857	2.3
87.00772	3.4
93.03362	5.5
96.95929	1.6
97.02844	8.1
97.06483	1.5
101.02336	5.3
102.98498	3.0
109.02847	1.5
113.02345	2.8
122.03603	2.0
125.02303	2.1
126.86536	1.5
133.02867	1.5
134.03667	2.1
135.04485	2.2
136.61157	1.3
137.02330	3.0
143.03290	1.3
160.01486	1.5
173.04507	3.0
175.66153	1.5
187.11243	2.1
189.12822	20.7
191.05522	7.8
191.07147	3.9
192.05937	1.7
195.06593	3.3
205.08702	19.1
205.12222	2.7
206.08963	1.9
207.10222	2.4
213.05408	1.7
269.19049	2.7
275.09390	1.6
279.63382	1.5
301.11203	2.1
311.20163	2.4
313.18170	100.0
314.18491	11.2
331.19247	17.6
332.19580	1.9
337.18115	2.0
345.20862	2.1
355.19171	13.0
357.11920	1.7
373.20346	7.0
579.31555	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	579.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.4
57.03335	0.4
59.00952	0.4
59.01263	7.8
60.53145	0.2
61.98722	0.8
67.01801	0.2
71.01277	3.5
71.58595	0.4
72.99160	0.3
73.02840	0.8
73.11084	0.2
75.00819	0.4
83.01289	0.4
85.02859	1.6
87.00768	0.3
89.02343	1.3
89.03925	0.4
93.03361	0.9
96.95923	1.0
99.00800	0.5
101.02360	1.9
105.03373	0.4
113.02363	1.4
117.03402	0.9
119.04941	0.3
121.02940	0.3
123.04427	0.4
125.02381	0.3
132.02058	1.2
133.02892	33.7
134.03336	1.2
135.03424	0.5
135.04459	9.9
136.04779	0.6
137.02383	0.8
139.03925	0.3
145.02960	0.3
155.03490	0.3
159.04500	0.8
160.01567	0.3
161.02399	100.0
162.02737	4.7
170.46910	0.2
173.04541	0.8
175.03976	0.3
178.02690	0.3
179.01891	0.3
179.03459	6.0
189.80138	0.2
191.05592	2.9
203.03532	0.5
222.87062	0.2
238.15488	0.3
353.08936	0.9
381.08475	0.3
473.14474	0.3
477.23529	3.3
478.23648	0.3
493.21002	3.2
535.21967	61.6
536.22266	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	579.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.3
59.01267	4.1
62.23997	0.2
63.80443	0.2
64.48472	0.2
70.79486	0.5
71.01269	1.6
73.02839	0.4
83.01287	0.3
85.02849	0.9
93.89668	0.2
99.00780	0.3
101.02328	1.2
101.05166	0.2
105.03375	0.5
113.02368	0.6
117.03369	0.5
123.04404	0.2
130.25864	0.2
132.02104	1.9
133.02882	33.1
134.03122	1.4
135.04449	9.7
136.04796	0.4
137.02367	0.8
145.02911	0.3
159.04443	0.9
161.02396	100.0
162.02730	5.5
179.03452	4.8
180.03825	0.4
191.05611	0.5
203.03410	0.6
477.39386	0.2
493.20959	3.0
493.87189	0.3
494.21643	0.3
524.05273	0.3
535.21954	61.6
536.22357	9.4
579.28723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	4.4
65.79901	0.5
67.01797	0.8
69.61514	0.7
69.61915	2.3
71.01270	3.4
73.02859	0.7
78.95782	2.7
83.01275	0.6
85.02857	2.6
85.03278	0.5
87.00781	1.2
89.02346	1.4
93.03371	4.7
95.01299	0.6
96.96874	2.7
98.20502	0.8
99.00771	0.7
101.02345	1.6
107.07058	0.4
109.02873	2.4
111.00751	0.5
111.04433	1.1
113.02369	1.6
113.12235	0.4
119.03413	0.6
119.04932	4.2
121.02878	0.5
123.00813	1.5
133.02875	0.4
133.34477	0.4
135.04466	0.7
137.02390	7.8
138.02928	0.5
139.00366	0.5
139.03938	0.4
145.02878	1.4
149.02391	1.2
151.00320	15.2
151.03947	1.6
152.01051	1.6
152.04752	2.5
155.03409	1.2
159.03110	0.4
159.04446	0.8
161.02467	0.6
161.04517	0.7
162.03271	0.5
163.03934	3.0
164.04669	0.6
164.68880	0.4
165.01820	0.7
166.02672	58.8
167.03154	3.5
173.04500	4.1
175.03947	1.0
177.01917	2.9
177.05502	1.0
179.03439	0.7
181.05034	76.4
182.05371	3.7
184.03795	0.6
190.06316	1.1
191.03682	0.8
191.05579	12.0
192.04285	1.0
192.05870	0.8
193.04980	1.1
195.02931	0.6
195.06560	0.6
203.03375	0.5
204.04160	0.4
205.05020	0.9
205.08672	1.0
206.05621	0.5
207.06596	1.2
209.04550	0.7
211.07675	0.7
217.14359	0.6
233.09540	2.2
281.04633	0.5
284.03140	0.5
285.03955	1.0
316.09607	0.6
327.08765	1.5
337.09494	0.9
341.10559	0.6
345.15643	0.5
359.11456	1.4
371.14798	0.5
387.10910	14.9
388.11392	2.0
402.13293	8.1
403.13577	1.3
417.15634	100.0
418.15964	14.7
519.31799	0.6
579.15320	0.8
579.66608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	5.1
71.01250	1.5
71.46638	0.8
72.99186	0.3
73.02836	1.3
83.01278	0.3
85.02838	0.7
89.02341	0.5
96.95911	0.9
101.02334	0.6
105.03358	0.7
113.02402	0.4
117.03401	0.7
132.02083	2.4
133.02882	39.2
134.03749	1.5
135.04453	12.2
136.04788	0.7
137.02348	0.9
151.11298	0.3
159.04485	0.6
160.01697	0.3
161.02393	100.0
162.02734	6.7
162.56354	0.3
169.59019	0.3
179.03470	8.9
179.05093	0.5
188.85242	0.3
191.05600	0.4
195.06621	1.2
196.91589	0.3
197.47473	0.3
198.92572	0.3
203.03485	0.7
321.06238	0.4
381.08456	0.8
493.20840	3.3
535.21991	63.7
536.22296	12.3
574.47528	0.4
579.28308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.3
64.06395	0.4
65.61148	0.4
69.35253	0.4
69.67573	0.4
71.01276	1.3
71.42923	0.7
83.21539	0.4
89.02354	0.7
91.09921	0.4
96.95908	1.8
101.02339	0.4
105.03362	0.7
117.03405	0.9
132.02094	1.9
133.02884	36.3
134.03584	1.5
135.04453	10.4
136.04730	0.6
137.02354	0.8
151.07567	0.4
161.02390	100.0
162.02724	4.7
163.04147	0.5
167.44679	0.4
176.01024	0.4
179.03470	6.6
191.03400	0.4
195.06595	1.8
198.83479	0.4
331.70798	0.4
383.10165	0.6
428.72012	0.4
431.18167	0.5
459.29288	0.6
493.20773	2.7
535.21954	58.8
536.22333	9.1
579.17468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	4.4
65.79901	0.5
67.01797	0.8
69.61514	0.7
69.61915	2.3
71.01270	3.4
73.02859	0.7
78.95782	2.7
83.01275	0.6
85.02857	2.6
85.03278	0.5
87.00781	1.2
89.02346	1.4
93.03371	4.7
95.01299	0.6
96.96874	2.7
98.20502	0.8
99.00771	0.7
101.02345	1.6
107.07058	0.4
109.02873	2.4
111.00751	0.5
111.04433	1.1
113.02369	1.6
113.12235	0.4
119.03413	0.6
119.04932	4.2
121.02878	0.5
123.00813	1.5
133.02875	0.4
133.34477	0.4
135.04466	0.7
137.02390	7.8
138.02928	0.5
139.00366	0.5
139.03938	0.4
145.02878	1.4
149.02391	1.2
151.00320	15.2
151.03947	1.6
152.01051	1.6
152.04752	2.5
155.03409	1.2
159.03110	0.4
159.04446	0.8
161.02467	0.6
161.04517	0.7
162.03271	0.5
163.03934	3.0
164.04669	0.6
164.68880	0.4
165.01820	0.7
166.02672	58.8
167.03154	3.5
173.04500	4.1
175.03947	1.0
177.01917	2.9
177.05502	1.0
179.03439	0.7
181.05034	76.4
182.05371	3.7
184.03795	0.6
190.06316	1.1
191.03682	0.8
191.05579	12.0
192.04285	1.0
192.05870	0.8
193.04980	1.1
195.02931	0.6
195.06560	0.6
203.03375	0.5
204.04160	0.4
205.05020	0.9
205.08672	1.0
206.05621	0.5
207.06596	1.2
209.04550	0.7
211.07675	0.7
217.14359	0.6
233.09540	2.2
281.04633	0.5
284.03140	0.5
285.03955	1.0
316.09607	0.6
327.08765	1.5
337.09494	0.9
341.10559	0.6
345.15643	0.5
359.11456	1.4
371.14798	0.5
387.10910	14.9
388.11392	2.0
402.13293	8.1
403.13577	1.3
417.15634	100.0
418.15964	14.7
519.31799	0.6
579.15320	0.8
579.66608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1375
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
57.03331	0.6
58.18574	0.5
59.01266	5.9
63.02305	1.0
63.09930	0.5
65.00213	0.5
67.01765	0.5
71.01262	2.8
71.58445	0.6
72.99225	1.6
73.02850	1.2
75.72205	0.4
83.01285	0.6
85.02856	1.8
87.00782	1.4
89.02341	1.2
93.03359	15.1
93.03911	1.0
96.95941	1.3
99.04439	0.6
100.81760	0.5
101.02358	1.2
107.01278	3.2
108.02103	1.0
109.02868	1.7
111.04445	0.9
113.02388	1.0
116.92837	0.4
117.03420	1.1
119.04980	1.4
121.02882	1.2
127.03957	0.5
132.02119	0.9
133.02814	0.7
134.03673	0.8
135.00824	1.8
135.04486	2.9
136.04773	0.9
137.02367	10.4
143.04964	1.2
145.02905	1.0
149.02377	0.6
151.00304	3.1
152.01152	1.2
153.01869	1.2
154.04346	0.4
155.03429	0.7
157.06570	1.2
159.04494	1.1
161.02414	1.9
161.04573	0.6
163.00339	3.4
163.03999	0.8
164.01051	0.6
165.01901	0.6
165.05545	3.0
167.04990	0.6
169.06580	1.1
171.04506	0.6
173.04535	1.7
173.05858	0.6
174.03195	0.7
178.99831	0.6
179.03476	2.0
183.04459	1.0
185.06079	2.8
187.03981	4.1
189.05579	1.3
191.05586	11.3
192.05925	1.4
193.01450	0.6
195.04581	0.9
197.06055	1.2
199.04053	1.2
201.05551	1.1
211.04004	3.4
212.04703	0.7
213.05522	2.9
215.03328	0.6
227.03516	31.8
228.03897	2.6
229.02808	0.8
229.05080	16.2
230.05405	1.3
239.03404	2.4
240.04218	1.3
241.05067	1.6
249.30339	0.5
255.03030	54.9
256.03647	6.5
257.04608	8.5
258.04904	0.5
267.03024	1.4
283.02512	1.2
284.00064	1.1
284.03339	59.3
285.04102	100.0
286.04437	7.1
327.05118	1.1
327.08752	0.8
334.52539	0.5
353.08798	0.7
354.09134	1.4
429.10278	0.9
441.13916	1.4
459.15277	0.8
517.12488	0.7
570.15900	0.5
579.13641	85.0
580.13873	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	17.7
60.01614	0.2
61.63488	0.2
69.43929	0.5
69.44346	1.1
69.71500	0.2
71.01266	0.3
72.34164	0.2
78.95798	6.2
78.98466	0.3
79.95628	0.7
80.96417	4.0
82.96019	0.4
85.02866	0.3
87.00813	0.2
94.97994	0.8
98.20572	0.3
105.33989	0.2
106.97981	0.2
145.57043	0.2
148.99057	0.3
152.99551	1.3
164.98630	0.4
168.04257	1.3
169.99265	0.2
172.81783	0.2
206.99808	0.2
222.60226	0.2
224.06969	0.9
225.00743	0.7
242.08034	2.8
261.22382	0.2
279.23358	100.0
280.23697	11.7
426.02487	0.2
504.31100	35.0
505.24356	0.4
505.31433	6.2
578.27277	5.7
579.27026	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	23.1
59.63493	0.2
60.01603	0.3
66.06364	0.2
70.91516	0.3
70.91872	0.4
71.01271	0.8
75.80083	0.2
77.84137	0.2
78.95794	21.4
78.98470	0.7
79.95623	0.6
80.96412	5.4
85.02851	0.3
87.00774	0.2
94.97980	1.0
96.96867	0.4
101.02345	0.2
106.97977	0.2
122.97507	0.4
122.98400	0.4
125.02363	0.2
127.03900	0.2
134.97520	0.5
134.98451	0.3
148.99025	0.8
152.98523	0.5
152.99567	3.2
155.36073	0.2
164.98535	1.1
168.04277	3.0
182.99652	0.4
186.35132	0.2
206.99586	0.3
224.06935	9.5
225.00760	1.8
225.07274	0.3
233.74863	0.2
242.08025	2.4
248.93364	0.2
254.47713	0.2
261.22498	0.3
279.23343	100.0
280.23697	10.7
433.24069	0.2
504.31079	69.1
505.31375	10.3
505.39069	0.4
579.28571	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	578.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38083	0.3
59.01265	2.3
61.98708	1.1
62.96289	0.6
63.43351	0.3
69.81376	0.3
71.01259	1.1
73.02824	0.6
78.95796	100.0
85.02840	0.4
93.03365	0.4
94.37628	0.3
96.96862	8.7
99.04425	0.6
101.02332	0.5
119.04903	0.4
122.98431	0.7
127.11256	0.5
140.01123	0.4
152.99530	14.0
153.99780	0.4
161.02412	0.3
167.14328	1.6
168.13907	1.3
171.00598	19.3
172.00998	0.3
191.05594	0.8
194.05849	0.7
195.89676	0.3
211.13397	1.3
214.04837	0.5
217.09660	0.3
229.14502	1.8
238.04718	0.5
241.18088	1.3
268.09610	3.4
282.20795	0.4
313.17908	0.4
331.19150	1.9
366.16928	1.0
426.19336	0.4
480.23499	0.6
535.25775	0.4
578.31116	56.7
579.31470	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	577.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
59.01265	15.1
61.98723	2.9
71.01269	2.9
71.58001	0.6
73.02850	0.4
78.95782	1.5
83.01271	0.5
83.04915	0.5
85.02845	0.9
87.00780	0.8
89.02332	2.1
97.06512	0.3
99.04455	0.3
101.02354	2.9
107.01296	0.4
109.06417	0.3
113.02363	1.0
113.09623	0.6
119.03394	0.9
133.02870	0.3
133.04977	0.3
133.44395	0.3
151.00328	1.1
152.99512	0.5
160.84241	0.4
161.02461	0.4
161.04494	1.2
163.11226	0.4
171.10260	0.5
173.04469	0.3
178.99820	0.8
179.05530	0.4
191.05563	0.5
195.13908	0.5
207.10275	1.1
209.11839	3.1
225.11346	1.4
235.08249	1.8
253.09323	14.4
254.09554	0.4
277.21701	0.7
279.23398	2.8
281.24918	100.0
282.25250	10.7
285.20764	1.2
288.67264	0.3
293.21326	3.4
295.22845	2.4
400.12750	1.2
409.13498	1.3
446.15063	0.7
446.64993	0.6
462.57199	0.3
523.95569	0.3
577.27808	0.5
577.39258	0.3
577.77551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	7.0
61.98719	2.3
67.01774	1.4
69.03312	0.8
69.75971	5.8
71.01271	4.1
72.99195	5.4
81.03343	1.6
83.04911	1.3
83.37751	1.0
85.02842	5.8
87.00773	2.3
89.02335	2.0
91.01756	1.1
93.03362	8.4
95.01330	0.8
95.04913	1.4
97.02842	1.1
99.04427	1.1
101.02334	1.5
107.04974	1.5
109.02850	4.5
111.00782	1.2
111.04410	3.3
112.75205	0.8
113.02351	1.1
113.34179	1.1
118.98043	1.1
119.03455	0.9
121.02872	4.6
123.00759	1.2
123.04399	4.9
125.02334	3.0
127.03883	2.0
133.02863	3.8
134.03642	3.5
135.04448	42.5
136.04768	2.1
137.02373	6.2
139.03925	2.6
149.02388	5.0
151.03946	4.1
153.01865	2.6
155.03416	2.6
161.02345	5.3
165.01913	2.0
167.03448	2.3
169.01414	1.6
171.02887	1.1
173.04527	11.1
177.01842	2.6
177.05519	1.0
178.06116	1.0
179.03458	47.6
180.03745	2.6
181.01392	2.4
183.23044	1.0
191.05586	100.0
192.05922	5.3
193.01456	4.4
195.03011	2.2
209.00952	1.2
212.79350	0.9
220.66492	0.8
221.91299	1.0
225.00456	1.2
247.04762	1.8
353.08838	91.9
354.09250	8.9
367.06815	1.1
369.08234	2.1
401.06723	1.0
416.10645	1.2
417.09882	1.0
478.57199	0.8
515.12128	3.8
517.26379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81430	0.7
53.80053	0.7
57.03331	1.1
58.00479	0.9
59.01268	37.6
60.99826	0.6
61.98724	5.1
63.27997	0.6
67.06777	0.7
71.00902	1.1
71.01274	19.0
72.99183	2.3
73.02446	1.0
73.02837	12.1
75.00755	1.6
78.95805	0.8
82.95322	1.6
83.01276	3.8
85.02846	5.8
87.00780	3.6
89.02345	5.0
93.03368	3.0
95.01271	0.9
96.95922	3.3
97.02891	1.4
99.00756	1.1
99.04417	0.9
99.08076	1.2
101.02353	10.5
102.16498	0.8
111.00776	2.1
111.04456	0.9
113.02371	5.6
117.03358	1.5
119.03455	0.9
119.04946	1.7
121.02881	1.2
125.02394	1.2
125.09647	1.3
126.54465	0.7
129.09138	0.8
132.02046	1.4
133.02879	14.1
134.03632	2.1
135.04420	6.7
145.02814	3.4
155.03477	1.1
159.04449	0.7
159.38396	0.6
160.01611	0.9
161.02405	38.2
162.02701	2.7
163.03935	2.0
167.14407	0.8
171.10187	2.1
173.04514	2.4
175.03929	1.1
179.03503	4.8
183.13916	4.4
185.11850	0.8
191.05611	9.9
193.05038	2.5
199.13458	1.6
203.03502	0.7
211.13405	25.3
211.15439	1.4
212.13744	2.1
214.67606	0.7
229.14505	1.5
234.07207	0.7
245.57765	0.8
293.21228	6.1
300.02670	0.8
311.22379	4.6
313.23865	2.6
316.48169	0.8
329.23380	14.9
330.23703	1.6
341.23593	1.7
349.09637	0.7
353.08649	1.0
389.39279	0.7
433.24774	1.0
473.27609	6.2
474.28070	1.3
491.28699	10.4
492.29410	0.8
533.20630	12.6
533.29742	100.0
534.20996	2.1
534.30127	16.7
544.28021	0.9
577.26178	6.1
578.26379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01756	0.8
57.03347	1.1
59.01266	40.5
61.98728	3.9
69.64792	2.0
69.65213	3.9
71.01272	16.6
72.99194	1.2
73.02834	13.6
75.00797	1.2
78.95816	1.2
82.95315	0.8
83.01290	3.7
83.82560	0.8
85.02846	6.1
87.00774	3.1
89.02338	5.9
90.61552	0.7
93.03365	3.5
95.01281	1.4
96.95924	2.6
97.06527	0.9
98.20625	1.2
99.08106	1.6
101.02343	10.9
111.00799	1.6
113.02364	5.2
116.49789	0.8
119.03498	1.2
119.04932	1.5
121.02833	0.8
125.02335	1.4
129.09157	1.7
133.02879	10.6
134.03651	1.6
135.04463	4.3
137.02390	1.0
137.20085	0.7
145.02893	2.5
155.03419	1.1
160.01611	1.4
161.02397	28.5
162.02679	1.1
171.10266	1.4
173.04495	2.9
175.03943	1.1
178.10179	0.7
179.03456	3.1
183.13858	3.6
185.11884	1.2
191.05586	7.4
193.05066	0.9
193.12349	1.1
195.06554	1.0
197.11699	1.0
199.04440	0.8
199.13205	1.0
203.03513	1.2
211.13393	27.3
212.13858	1.3
219.11815	0.8
229.14458	3.5
257.08188	1.5
293.21280	6.3
311.22375	3.7
313.23950	2.6
329.23416	17.5
330.23889	1.8
473.27667	6.9
474.28281	1.3
491.28699	12.0
492.29190	1.4
533.20789	9.0
533.29742	100.0
534.21014	2.2
534.30060	15.7
577.27008	6.2
578.26715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.6
60.78659	0.3
63.96110	1.4
69.03352	0.7
69.43359	3.0
69.43760	0.6
71.01272	6.9
73.02835	2.1
78.85322	0.3
78.98486	7.1
79.95621	11.1
80.96409	68.1
81.03329	0.6
83.01277	0.4
85.02842	2.6
87.00768	2.6
94.97981	15.6
95.01279	0.8
96.95911	0.8
97.02833	1.5
98.19812	0.8
99.00788	0.8
101.02352	2.6
106.98001	2.4
122.52081	0.4
122.97485	5.4
122.98328	0.6
125.02382	2.6
127.03910	0.9
134.96555	0.5
134.97510	4.2
136.99062	1.5
146.97485	0.3
148.99086	5.3
152.97418	0.5
152.98582	6.5
164.98586	9.8
167.00081	0.4
182.99677	2.3
206.99637	2.4
225.00739	16.0
226.01097	0.7
238.74237	0.4
243.01820	1.6
277.21759	2.1
297.42761	0.3
299.04651	2.3
342.57083	0.4
577.26984	100.0
578.27332	18.5
578.35150	0.4
601.13910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02103	0.5
59.01265	1.0
61.98720	77.4
62.98443	0.6
63.96123	1.2
63.99152	0.9
69.03338	0.7
69.39028	3.9
71.01277	7.5
73.02842	1.9
75.45278	0.5
78.98489	6.5
79.95631	11.1
80.96413	71.7
81.03357	0.8
81.22205	0.4
85.02850	3.3
87.00779	2.8
89.64973	0.4
94.97987	16.7
94.98579	0.9
96.95923	1.7
97.02882	0.9
101.02364	3.2
106.98002	3.5
112.33237	0.5
122.97512	2.9
125.02381	2.8
127.03960	1.0
134.97498	4.7
136.99101	1.6
148.99092	6.8
152.98589	5.8
164.98592	11.6
165.98898	0.5
205.28352	0.4
206.99681	2.6
225.00755	14.2
257.55011	0.4
277.21823	1.9
278.22211	0.9
279.23117	1.7
299.04547	3.1
377.32068	0.5
504.31015	0.6
577.27020	100.0
578.27332	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	577.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.2
57.03332	0.3
59.01249	0.8
63.96121	1.4
69.03340	0.7
71.01270	7.1
71.34856	0.5
73.02828	1.2
78.98483	5.3
79.95628	9.8
80.34095	0.2
80.96409	65.2
81.03342	0.8
81.96336	0.3
83.29852	0.2
85.02834	2.4
87.00764	2.1
94.97984	14.7
95.01293	0.3
96.95909	1.2
97.02838	1.5
99.00784	0.8
99.04427	0.5
101.02337	1.8
101.42519	0.2
102.39984	0.3
106.97999	2.6
113.02354	0.3
122.97511	3.2
125.02353	2.3
127.03909	0.9
134.97525	4.5
136.99086	1.0
146.97472	0.5
148.99092	5.8
149.99484	0.3
152.98586	5.4
164.98587	10.8
165.98946	0.3
167.00148	0.5
188.98593	0.3
206.99637	2.0
225.00745	11.9
226.01086	0.4
277.21817	1.4
299.04459	2.2
413.31589	0.3
414.68634	0.3
577.26984	100.0
578.27338	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	577.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57237	1.0
58.00480	2.8
59.01269	51.0
59.21112	1.0
61.98720	17.5
71.01276	39.3
72.01546	1.3
72.99207	2.6
73.02840	11.8
85.02849	8.6
87.00784	2.4
88.98663	1.2
89.02340	100.0
90.02694	1.3
93.03374	2.6
96.95925	6.6
99.00785	28.4
101.02351	43.5
107.82297	1.0
109.02905	1.4
113.02362	8.5
115.03917	1.7
119.03400	2.3
119.04880	1.3
125.02364	4.1
131.03441	16.2
134.03667	1.2
143.03377	6.2
149.04506	83.7
150.04848	2.0
161.04483	7.1
168.00623	1.1
173.04523	1.7
191.05598	26.2
191.77400	1.3
193.05090	1.5
221.06680	13.6
251.07800	7.6
275.07770	1.2
281.08844	1.4
293.08878	8.2
301.61777	1.1
311.09897	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	577.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04874	0.3
55.01773	1.1
57.03339	3.8
59.01267	28.3
61.98718	0.4
68.97392	0.3
68.99698	0.8
69.03339	0.6
69.97645	1.2
69.98058	0.6
71.01272	22.3
72.01605	0.4
72.99210	4.1
73.02847	4.8
75.00766	26.9
81.03332	0.6
83.01287	2.7
84.02079	0.5
85.02845	25.5
86.03184	0.4
87.00777	7.0
89.02334	6.0
89.03888	0.3
93.03353	0.9
95.01289	2.6
96.95898	1.3
97.02848	1.6
99.00163	0.6
99.00782	8.4
101.02358	5.8
103.00266	0.8
107.05569	0.4
109.02810	0.4
111.00794	0.4
111.04412	0.6
112.01629	0.6
113.02364	26.6
114.02733	0.8
115.00285	2.5
116.67652	0.3
117.01834	1.3
117.03363	0.5
119.03394	1.6
125.02396	0.5
129.01842	0.8
131.03435	1.4
134.03674	5.9
143.03430	0.4
145.02773	0.4
147.54254	0.3
149.04668	0.6
149.06042	1.0
157.01363	1.2
160.01599	0.9
161.02295	0.5
161.04500	0.7
163.03934	0.5
173.04524	4.1
175.02444	4.5
175.04008	1.6
191.05554	3.7
192.05983	0.4
193.03329	0.7
193.05040	10.0
194.05400	0.6
199.40646	0.4
211.07645	0.4
215.05530	0.4
241.08600	0.4
255.13538	0.4
403.17743	0.3
429.21518	1.6
473.20468	0.4
533.22534	100.0
534.22900	15.7
539.64258	0.4
544.72290	0.4
577.19202	0.5
577.28687	0.5
582.20270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03334	3.4
59.01270	26.0
61.98712	2.7
67.01772	0.8
68.08534	0.5
68.99721	0.8
69.03351	0.8
69.33400	2.3
69.33826	3.5
71.01273	21.1
72.01615	0.7
72.99201	3.7
73.02841	3.7
75.00765	21.6
77.87571	0.5
78.95810	1.1
82.69122	0.6
83.01283	2.0
84.02049	0.6
85.02841	23.2
85.03359	1.2
87.00769	6.6
89.02335	3.6
93.03353	3.9
95.01268	2.9
96.95907	2.3
98.19828	1.1
99.00785	6.8
99.04428	1.0
101.02351	6.3
103.00297	0.7
108.02070	1.2
109.02840	2.8
111.04422	1.1
113.02357	23.0
114.02686	0.9
115.00294	2.4
117.01861	1.4
117.03345	1.0
119.03438	1.0
119.04945	1.2
121.02868	1.1
123.04475	0.7
125.02395	1.3
127.03951	0.7
129.01825	1.2
133.02884	5.0
134.03702	1.3
135.04457	5.1
136.04727	0.7
137.02405	1.3
145.02917	3.0
151.00317	0.7
152.01039	0.7
153.01866	2.7
153.13022	0.6
157.01433	0.7
160.01578	1.3
161.02391	10.2
161.04512	2.7
162.02742	1.2
163.03981	1.3
173.04459	3.1
175.02470	1.7
175.03931	1.6
179.03438	2.6
191.05598	9.3
192.06082	0.6
193.05128	0.9
216.00705	0.6
224.08038	0.6
271.02560	1.9
279.06683	1.9
291.06509	0.9
299.01971	0.9
300.02615	1.1
301.03424	1.3
307.06235	3.4
315.18185	1.6
322.08548	1.5
329.17679	0.8
337.10916	7.4
338.11307	0.9
374.19888	0.6
429.21481	0.7
430.11060	0.7
517.30719	0.7
521.86548	0.6
533.22516	100.0
534.22821	15.5
562.17767	0.6
577.15015	0.8
577.29132	1.0
578.15759	0.7
578.25732	0.7
583.07654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.2
57.03334	4.2
59.01268	27.5
61.98735	1.6
64.01398	0.6
67.01766	0.9
68.99709	0.8
69.03335	0.8
69.42304	5.8
71.01275	21.6
72.99200	2.8
73.02849	4.3
73.80631	0.6
74.88903	0.6
75.00765	26.1
75.50156	0.6
83.01275	3.1
85.02850	27.2
87.00782	7.9
89.02336	3.6
93.02770	1.5
93.03365	29.2
95.01289	2.6
96.95921	3.6
97.02846	1.0
98.19775	1.0
99.00782	8.1
101.02361	7.4
111.00761	1.0
113.02365	24.7
114.02712	1.1
115.00281	2.1
116.92779	1.1
117.01847	1.5
117.03445	0.6
119.04937	1.4
121.02950	0.8
125.02346	1.1
127.43915	0.7
129.01762	0.8
132.02101	1.0
133.02876	0.9
134.03702	5.6
135.04442	1.0
137.02385	54.6
138.02742	2.3
145.02861	1.0
147.04446	0.7
148.05202	1.6
149.05974	0.7
155.03412	0.8
157.01364	0.7
160.01599	2.9
161.02412	2.3
161.04517	1.6
163.03954	1.2
163.07579	1.7
166.02838	0.6
173.04541	4.4
175.02423	2.7
175.03983	4.4
179.03397	1.0
187.07623	0.9
191.05591	14.2
193.05078	5.9
194.42715	0.6
200.78992	0.7
215.07202	0.7
254.09303	0.7
283.13495	0.8
315.18188	2.2
327.16165	1.2
353.14029	0.8
371.15155	1.2
429.21429	1.2
473.20178	0.8
533.22559	100.0
534.22839	18.9
534.30725	1.3
552.35999	0.7
577.16846	1.3
577.29486	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	577.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39813	0.6
55.01749	1.1
57.03338	4.1
58.00465	1.1
59.01269	42.8
59.03255	0.5
61.98700	1.0
67.01736	0.7
69.03309	1.1
71.01275	31.8
72.99210	4.8
73.02845	5.9
75.00769	24.5
83.01295	3.0
83.04846	0.8
83.21848	0.5
85.02847	28.7
87.00327	0.6
87.00773	9.5
88.98675	1.9
89.01850	1.0
89.02343	17.1
93.03355	3.7
95.01256	1.9
96.95884	2.1
97.02847	1.2
99.00785	14.8
99.01736	0.7
101.02362	8.8
103.91515	0.6
109.02861	0.7
111.00784	1.1
111.04445	0.7
112.01588	0.7
113.02362	29.4
114.02699	1.3
115.00246	2.0
117.01824	1.3
119.03384	2.3
119.04878	0.6
121.02867	0.6
125.02359	0.8
129.01849	1.0
131.03371	2.7
134.03621	1.8
135.04378	1.5
137.02385	1.2
143.03455	0.7
145.02901	1.2
149.04425	1.8
155.03401	0.7
157.01353	1.0
159.19171	0.7
160.01573	1.5
161.02345	1.9
161.04466	2.0
173.04581	5.1
175.02402	2.8
175.03876	1.4
179.03479	1.2
179.05463	1.0
191.05609	11.0
192.05864	0.8
192.85037	0.6
193.05042	3.6
214.06343	0.7
216.72395	0.6
218.02438	0.7
229.73906	0.8
270.01764	0.7
355.25046	1.3
429.21350	2.2
517.30005	2.0
533.22552	100.0
534.22906	15.4
568.29236	0.7
577.28815	32.3
578.29303	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	577.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.0
57.03334	3.9
59.01263	31.0
60.01601	0.9
69.03353	0.7
69.45080	5.4
70.93571	0.6
71.01266	16.2
72.99194	3.8
73.02838	3.4
75.00763	22.1
82.61192	0.6
83.01283	2.2
85.02841	19.8
86.03223	0.6
87.00770	5.6
89.02364	2.5
93.03364	1.5
95.01315	2.8
96.95925	1.1
97.02867	1.0
99.00776	6.0
101.02339	5.6
113.02358	22.2
114.02702	0.9
115.00316	1.6
117.01842	1.6
117.38989	0.6
121.02909	2.0
121.31250	0.7
129.01810	0.9
131.03452	1.0
132.02094	0.9
133.02881	12.5
134.03636	2.1
135.04442	14.1
137.02405	1.0
143.03459	0.8
156.32797	0.7
157.01424	0.8
161.02393	36.0
161.04533	1.4
162.02769	2.0
163.04044	0.7
173.04520	0.7
175.02423	2.8
175.03851	0.7
176.06715	0.7
178.02768	0.8
179.03464	9.7
191.05621	2.0
293.06906	0.9
315.18262	2.0
402.44986	0.8
455.12143	6.3
456.12701	1.6
491.20081	1.4
533.22290	100.0
534.22614	16.8
577.16302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42184	1.0
57.03346	1.3
59.01261	15.8
61.98719	2.4
70.58186	3.7
71.01267	9.3
73.02831	3.6
75.00763	3.0
78.95794	1.4
83.01298	1.1
85.02834	7.1
87.00782	2.5
89.02335	6.6
93.03353	4.1
95.01272	2.1
96.95898	2.9
99.00787	1.5
101.02357	5.8
108.02048	3.8
109.02889	1.3
113.02360	5.4
119.03429	1.5
121.02849	2.5
125.02325	1.8
132.02101	2.8
133.02873	22.3
134.03581	4.0
135.04460	15.5
137.02376	2.2
143.03508	1.9
145.02873	2.7
147.04428	1.3
149.02394	1.7
151.00356	1.8
152.01109	6.5
159.04417	1.4
160.01602	3.4
161.02391	71.1
162.02715	4.9
163.03926	1.7
173.04517	4.4
173.17949	1.1
175.03957	7.7
177.05458	1.9
179.03461	12.1
179.05608	2.0
183.31656	1.3
191.05573	11.6
192.05946	1.3
193.04980	2.8
207.08087	1.7
223.07594	1.8
229.01311	1.2
234.06741	1.0
235.07663	3.3
238.35074	1.2
240.02029	1.2
241.64929	1.1
247.38025	1.2
251.07124	4.2
263.07153	2.5
271.02548	3.0
271.27426	1.2
279.06686	30.2
280.07065	2.6
291.06650	15.0
292.07306	4.7
293.08279	2.1
294.09015	5.7
295.09628	1.3
299.01971	2.0
300.02701	3.2
301.03326	2.5
305.08228	1.8
306.09052	11.6
307.06186	49.7
307.09430	2.8
308.06494	4.9
321.07678	3.1
322.08478	23.1
337.10883	100.0
338.11221	8.1
339.05289	1.6
353.08969	1.6
429.10580	1.5
491.19449	1.8
514.75275	1.2
517.30444	2.0
533.20660	30.1
534.20953	5.4
541.19238	1.6
577.16083	3.7
577.26752	11.5
578.16815	1.3
578.26599	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.5
59.00994	0.5
59.01267	6.2
61.98707	0.6
71.01266	3.0
72.99194	0.4
73.02837	1.2
78.95810	0.4
83.01257	0.4
85.02841	1.6
87.00774	0.9
87.83691	0.3
89.02353	1.1
93.03368	1.1
96.95917	1.1
97.55995	0.3
98.19784	0.8
99.00774	0.4
101.02354	1.6
105.03363	0.4
109.02874	0.6
112.09184	0.3
113.02355	1.2
117.03371	1.1
119.03448	0.6
119.04933	0.8
121.02873	0.4
121.18102	0.3
123.04410	0.4
125.02427	0.3
132.02112	1.9
133.02882	34.3
134.03746	1.9
135.04451	13.2
136.01569	0.6
136.04753	0.6
137.02365	1.4
139.03897	0.5
143.03468	0.4
145.02898	0.6
148.04984	0.4
149.05972	0.5
150.03130	0.4
151.03963	0.8
159.04482	0.9
160.01610	0.4
161.02390	100.0
162.02736	4.4
163.03990	1.3
164.04776	0.3
173.04524	1.2
175.03958	0.4
177.05479	0.8
178.02615	0.4
179.03462	8.7
179.06990	0.5
180.03958	0.3
191.05589	3.7
192.05975	0.4
193.04999	0.8
195.02960	0.3
203.03517	1.1
219.94363	0.3
221.04628	0.4
271.02527	0.8
299.02060	0.4
299.09335	0.3
300.02759	0.7
301.03574	0.5
315.05188	0.4
353.09006	0.7
365.08850	0.7
373.12979	0.5
417.67477	0.3
491.19287	3.3
517.30414	0.8
533.20410	67.8
534.20764	10.9
541.19507	1.2
577.17908	0.6
577.28076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.3
57.03353	0.4
59.01263	4.3
61.98721	1.0
62.86345	0.2
66.75655	0.2
69.03373	0.2
71.01273	2.9
72.99195	0.4
73.02835	1.7
75.00768	0.7
78.95798	0.3
81.01903	0.2
83.01297	0.5
83.02419	0.3
85.02837	2.4
87.00774	0.8
89.02352	1.1
89.03863	1.2
93.03374	1.2
95.01296	0.3
96.95922	0.7
97.02877	0.4
99.00790	0.7
101.02352	2.2
111.00797	0.3
111.04444	0.3
113.02362	1.4
117.03378	4.8
119.04986	0.5
121.02898	1.2
132.02113	2.5
133.02846	0.4
134.03668	74.7
135.03984	3.0
137.02377	0.9
144.12091	0.2
145.02921	0.4
149.04839	0.4
149.06029	6.9
150.06316	0.3
160.01610	10.9
161.02248	0.7
161.04498	0.7
163.03932	0.4
173.04640	1.1
175.03960	10.8
176.04242	0.7
178.02664	0.9
185.20605	0.2
191.05606	4.8
191.07344	0.3
193.05042	100.0
194.05360	5.7
201.30573	0.2
266.70981	0.3
269.10321	0.5
284.03293	0.3
298.25217	0.2
329.17657	0.3
401.14725	0.4
517.30328	0.3
533.22211	0.7
533.29712	1.4
577.19409	5.9
577.28052	0.4
578.19861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.6
59.01269	6.3
61.98712	2.0
69.03347	0.4
70.92255	0.5
70.92606	0.4
71.01274	6.5
72.99206	0.5
73.02843	2.0
74.70082	0.2
75.00761	1.4
78.95809	0.4
83.01281	1.1
83.04975	0.3
85.02850	4.7
87.00787	1.8
89.02356	2.0
89.03875	1.2
93.03368	2.2
95.01317	0.4
96.95931	1.5
97.02861	0.6
98.02409	0.2
99.00774	1.5
99.04433	0.4
101.02343	3.9
102.98514	0.6
106.04190	0.5
108.02081	0.3
109.02883	0.3
111.00817	0.5
111.04413	0.5
113.02361	4.5
117.03376	4.5
119.03441	0.4
119.04948	0.8
125.02364	0.3
127.00363	0.3
130.70107	0.3
132.02119	2.0
133.02864	0.8
134.03670	71.1
135.03955	2.6
137.02393	1.1
145.02876	1.0
149.06032	7.1
150.06352	0.4
150.12230	0.3
152.01190	0.3
159.02928	0.5
160.01616	8.7
161.02466	1.4
161.04454	1.7
163.03947	0.7
173.04510	1.7
175.03972	11.4
176.04340	0.7
177.01936	0.4
178.02701	1.7
178.03976	0.3
179.03407	0.6
185.07210	1.6
191.05600	7.1
192.05949	0.6
193.05043	100.0
194.05388	5.4
229.08740	0.4
242.02080	0.4
242.09273	0.6
269.10419	0.6
283.02563	0.3
327.15921	0.6
355.24915	0.8
371.14987	0.8
383.13480	1.2
384.13766	0.4
401.14597	1.4
401.77856	0.3
415.14319	1.0
484.87961	0.3
517.30530	1.8
531.27966	0.7
533.22345	1.8
533.29907	1.2
534.22699	0.4
545.19965	0.6
568.14490	0.3
577.19232	4.3
577.28589	2.6
578.19543	0.7
578.31561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
56.99733	0.2
57.03338	0.3
59.01265	2.9
61.98714	0.9
64.16368	0.2
69.03326	0.3
69.30511	0.2
70.51479	0.7
71.01276	4.0
72.99202	0.5
73.02834	1.6
75.00781	0.2
78.95777	0.2
83.01281	0.6
85.02848	2.2
87.00785	0.5
89.02345	0.7
89.03868	1.1
93.03380	0.5
95.01279	0.2
96.95922	1.2
96.96876	0.2
97.02850	0.3
97.39139	0.2
99.00774	0.9
101.02345	2.3
106.04160	0.2
111.00842	0.2
113.02361	2.3
117.03379	4.8
119.04918	0.2
119.32935	0.2
125.02396	0.3
129.01901	0.2
132.02109	2.2
133.02896	4.0
134.03668	74.0
135.00777	0.3
135.04366	2.7
137.02385	0.5
139.03961	0.2
143.03448	0.2
149.02400	0.2
149.06024	7.0
150.06363	0.3
159.02960	0.3
160.01611	7.9
161.02399	10.7
161.04349	1.2
162.02724	0.7
167.03360	0.3
173.04514	0.4
175.03966	11.0
176.04318	0.7
178.02660	1.6
179.03484	1.8
191.05560	0.9
193.05038	100.0
194.05374	4.5
225.79796	0.2
269.10324	0.9
311.11465	0.2
332.26318	0.2
353.09015	0.3
383.13632	1.0
401.14651	1.2
478.28268	0.2
510.45129	0.2
533.12830	0.9
533.20508	2.7
533.29669	0.6
534.13141	0.3
534.21393	0.3
577.19141	4.7
577.27295	2.4
578.19751	0.8
578.27478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09084	0.3
55.01736	0.7
57.03314	0.9
59.01261	4.3
62.69033	0.3
69.45124	3.5
71.01275	8.2
73.02836	3.4
75.00751	0.6
81.03380	0.4
83.01240	1.2
84.19617	0.4
85.02856	4.7
87.00744	0.9
89.02356	1.9
89.03849	1.6
93.03318	1.2
95.01278	0.7
97.02839	0.8
99.00768	1.5
101.02343	5.3
103.00568	0.4
108.02073	6.3
109.02861	1.3
113.02363	3.6
114.60033	0.3
117.03375	5.5
119.04951	0.6
125.02384	0.5
131.03383	0.5
132.02097	14.8
133.02788	1.5
134.03667	68.9
135.03920	2.4
138.41435	0.3
147.04446	2.0
149.06030	6.6
150.06380	0.5
152.01096	13.8
153.01752	0.4
160.01610	58.7
161.02325	4.2
161.04456	1.9
163.03957	0.6
173.04544	0.6
175.03967	100.0
176.04297	5.5
177.01765	0.4
178.02690	0.9
179.03506	0.5
191.05559	4.8
193.05040	92.0
194.05356	4.4
269.10349	2.2
327.15997	0.5
355.12256	1.1
383.14233	0.7
401.14532	5.0
402.15054	0.4
429.10406	3.5
430.11169	0.6
507.02991	0.5
533.22473	0.9
545.20959	0.7
577.19763	33.2
578.20105	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	577.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.5
57.03343	1.6
58.00503	0.5
59.01265	31.2
60.01604	0.7
61.98710	2.2
71.01270	8.0
72.99199	2.1
73.02848	1.7
75.00763	7.3
78.95799	0.6
83.01279	1.3
84.84879	0.4
85.02843	7.6
87.00774	2.4
89.02358	1.9
93.03366	1.5
95.01300	0.7
95.85865	0.4
96.22731	0.4
96.95927	1.5
98.19810	1.3
99.00792	3.0
101.02366	3.6
103.54732	0.4
109.02882	0.4
112.01588	0.4
113.02364	8.4
115.00272	0.6
116.95544	0.5
117.03384	1.0
119.03445	1.1
119.04949	0.6
121.02884	2.3
125.02392	0.6
132.02098	1.4
133.02881	33.0
134.03760	2.9
135.04454	22.2
136.04787	1.0
137.02359	2.2
145.02928	0.7
150.03183	0.4
157.80118	0.5
159.04427	0.8
160.01611	0.8
161.02390	100.0
162.02711	5.5
162.39667	0.4
163.03833	0.5
173.04507	1.8
175.02469	0.8
175.03978	0.6
177.05554	0.7
179.03459	15.6
180.03784	0.5
191.05592	5.0
193.05061	0.5
203.03514	1.3
229.67578	0.5
260.75607	0.5
271.02005	0.5
299.02136	0.6
300.02676	0.7
455.12097	7.8
456.12247	1.0
491.19424	3.2
517.20782	0.6
533.20728	86.3
534.20923	13.4
577.15613	2.1
577.31805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37386	0.2
57.03339	0.6
59.01271	2.7
59.57541	0.3
61.98720	6.7
63.99131	0.8
67.01763	0.3
69.03326	0.6
71.01273	2.5
71.01647	0.3
72.99194	1.2
73.02835	0.9
75.00759	0.8
78.95822	0.3
81.03342	0.3
83.01276	0.5
85.02841	3.5
87.00764	0.9
89.02333	0.9
93.03355	1.8
95.01296	1.3
97.02878	0.5
98.20587	0.4
99.00798	0.7
101.02341	1.5
106.07665	0.3
108.02080	53.2
109.02914	8.3
111.00808	0.3
111.04440	0.3
113.02369	2.4
119.03458	0.4
119.04942	1.2
121.02872	1.0
123.00790	0.8
123.04487	0.4
125.02348	0.7
133.02866	0.7
134.03658	0.9
135.04443	2.1
137.02380	0.6
145.02899	0.4
147.04460	15.2
148.04810	0.8
149.05989	0.3
151.00298	0.5
151.03882	0.3
152.01094	100.0
153.01660	4.1
155.88596	0.3
161.02457	1.3
161.04533	0.3
163.03951	4.1
173.04523	1.3
175.03975	0.7
177.01849	0.9
179.03481	1.2
181.04965	0.4
191.05571	5.6
193.05002	0.7
207.03030	0.7
219.03079	0.3
315.07291	1.6
349.20331	0.3
385.16437	0.3
429.10458	22.3
430.10825	2.1
501.71976	0.4
517.30341	0.4
533.22333	1.0
533.29456	0.6
577.15741	81.3
578.16089	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	577.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29719	0.3
55.01789	0.9
56.01603	0.2
57.03356	0.3
57.04427	0.2
59.01263	5.2
61.98731	0.5
69.03352	0.8
69.79898	1.3
71.01266	4.5
71.01618	0.4
72.99211	1.2
73.02842	2.0
78.95827	0.3
81.03355	0.4
83.01289	0.4
85.02848	2.9
87.00778	0.4
89.02337	3.4
89.94035	0.3
93.03363	0.5
95.01294	0.7
96.95930	0.3
97.02852	0.5
98.79648	0.3
99.00778	2.3
101.02367	1.6
105.03380	0.4
107.09660	0.3
108.02081	48.5
109.02894	8.8
111.04382	0.3
113.02364	1.7
117.03375	0.8
119.03424	0.3
119.04945	0.9
121.02853	0.7
122.03619	0.3
123.00811	0.5
123.04447	0.5
125.02357	0.8
131.03406	0.6
132.02098	0.9
133.02882	17.5
134.03754	1.9
135.04454	10.0
136.04764	0.7
137.02354	0.5
144.69023	0.2
145.02892	0.4
147.04456	15.1
148.04820	0.8
149.02394	0.3
149.04527	0.7
151.00459	0.3
151.03922	0.4
152.01096	100.0
153.01613	4.7
161.02391	52.5
162.02745	3.0
163.03960	3.6
165.01970	0.4
173.04466	0.8
175.03908	0.6
177.01822	0.9
177.05492	0.3
179.03471	5.0
180.03883	0.4
191.05588	1.9
192.52486	0.2
193.04965	0.6
207.02957	0.8
240.78850	0.3
297.06134	0.5
299.02005	0.3
300.02618	0.4
301.03284	0.4
315.07120	1.0
353.08536	0.4
402.33298	0.3
429.10455	20.5
430.10864	2.5
485.45654	0.3
533.21381	1.5
533.28595	0.5
534.20709	0.4
577.15417	68.0
578.15796	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	577.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.7
57.03321	1.1
59.01267	2.4
61.98703	0.8
69.03354	0.7
70.45401	1.0
70.45792	0.8
71.01269	1.6
72.38606	0.4
72.89940	0.4
72.99199	29.0
73.02822	0.6
73.99550	0.3
83.01281	0.4
85.02840	1.4
87.00783	0.6
89.02351	0.5
91.04915	0.4
93.03358	54.4
94.03696	1.2
96.95912	1.6
96.96842	0.4
98.19956	0.5
99.00755	0.5
101.02332	0.6
109.02875	0.4
111.04444	0.6
113.02353	3.9
117.03395	1.4
119.04943	100.0
120.05273	5.1
121.02858	1.1
123.04467	0.5
125.02366	0.4
128.12938	0.3
128.35487	0.3
131.03407	0.5
133.02878	1.1
135.04472	1.7
137.02374	59.0
138.02701	2.2
145.02913	3.9
145.03957	0.6
160.05231	0.4
161.02364	1.3
161.04498	0.4
162.03221	1.9
163.03961	69.5
164.04317	3.7
173.04573	0.9
173.06017	0.5
175.07495	0.4
179.03468	2.0
191.05620	5.1
192.06013	0.4
219.06694	0.7
272.34277	0.3
277.07224	2.7
307.08228	1.1
319.98892	0.4
325.09882	0.5
337.09256	0.5
353.08853	2.2
367.10312	0.5
439.12546	20.6
440.12952	2.6
457.13626	21.4
458.13910	2.2
500.54651	0.4
577.15747	38.1
578.16040	6.2
585.03497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20081	0.1
59.01268	21.1
60.01616	0.2
61.98720	0.2
71.01283	0.2
71.61762	0.1
71.84925	0.1
78.95798	7.0
83.04925	0.2
93.60047	0.1
96.96855	0.2
120.16525	0.1
127.07617	0.1
152.99541	1.6
160.84209	0.3
168.04263	2.1
224.06911	1.2
233.22774	0.4
242.05554	0.2
242.08031	3.2
259.20621	0.6
275.20154	0.5
277.21793	100.0
278.22147	9.3
278.25305	0.2
502.29556	39.7
503.29886	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	576.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73208	0.3
58.28159	0.3
59.01264	29.1
63.96137	0.4
69.03346	0.4
69.55801	2.0
71.01273	4.1
73.02836	0.9
74.43810	0.3
78.95791	28.5
78.98473	3.4
79.95621	5.8
80.96407	38.3
81.03349	0.4
81.74036	0.3
85.02839	1.6
87.00760	1.8
94.97986	9.7
96.95914	0.7
96.96864	0.6
97.02869	1.0
99.00833	0.3
101.02369	1.6
106.98002	1.8
122.97501	2.2
122.98376	0.6
125.02373	1.8
127.03899	0.6
134.97481	2.6
136.99040	0.9
148.98096	0.4
148.99103	3.9
152.98520	3.4
152.99539	3.3
164.98578	6.7
167.00291	0.3
168.04268	4.6
182.99622	0.6
194.05878	0.3
206.99742	2.2
224.06915	12.0
225.00734	11.7
233.22678	0.7
242.08032	2.9
243.01897	0.4
259.20639	0.8
275.20050	0.7
277.21768	100.0
278.22122	11.3
299.04425	1.7
326.30334	0.4
502.29507	79.2
503.29834	12.5
577.26978	64.2
594.54449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16627	0.1
59.01261	0.6
59.54348	0.1
60.01593	0.2
61.98715	100.0
71.49806	0.3
78.95824	0.2
80.96423	0.3
117.70057	0.1
123.31239	0.1
148.34816	0.2
253.09401	0.3
255.09880	0.4
277.21793	1.2
278.22101	2.2
279.22452	1.3
280.22717	0.8
283.97095	0.2
362.57266	0.2
577.27338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.3
61.98717	100.0
68.67423	0.3
69.55936	1.8
71.01288	0.6
72.89042	0.3
78.95789	0.4
79.95622	0.3
80.96402	1.5
89.02342	0.3
94.60573	0.3
101.02363	0.4
101.21049	0.2
152.99593	0.5
161.02354	0.4
191.05545	0.3
225.00757	0.5
250.71182	0.2
253.09277	0.7
254.09669	0.8
255.09874	1.0
256.10220	0.3
271.28888	0.3
277.21783	4.6
278.22134	9.5
279.22443	4.7
280.22693	2.8
304.14948	0.3
577.26746	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	576.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	4.6
59.01574	0.2
60.01615	0.2
61.45905	0.1
61.98721	100.0
62.98425	0.2
63.00136	0.1
67.01775	0.3
67.15040	0.1
67.32764	0.1
68.26309	0.1
69.03338	0.1
69.28054	0.7
69.28481	0.6
71.01271	1.1
73.02814	0.2
78.40932	0.1
78.95818	0.3
82.95333	0.4
83.01279	0.2
85.02853	0.7
87.00790	0.5
88.98723	0.4
89.02342	0.4
92.57961	0.1
93.03368	2.0
96.96927	0.1
97.02874	0.3
99.00763	0.2
99.04522	0.1
101.02370	0.4
102.98527	0.4
111.00804	0.2
111.04448	0.3
113.02374	0.3
131.03424	0.1
133.02914	0.5
135.04463	0.3
137.02388	0.3
139.38487	0.1
143.03337	0.1
145.03009	0.2
148.07274	0.1
155.03476	0.2
161.02412	1.1
163.07655	0.2
165.05475	0.1
173.04604	1.3
173.06038	0.3
177.09200	0.2
179.03505	0.4
186.06844	0.1
187.07675	0.5
188.64861	0.1
191.05595	3.5
201.05725	0.3
203.07098	0.2
204.07996	0.3
213.14989	0.7
214.15369	0.3
215.07231	0.7
229.08714	0.2
231.10248	0.2
247.33113	0.1
257.05731	0.2
311.16653	0.6
313.18509	0.1
329.17834	0.1
373.92227	0.2
404.14828	0.2
435.17310	0.1
471.33893	0.2
480.16525	0.3
497.37677	0.1
515.27802	0.3
516.28400	0.5
545.20721	0.2
576.28876	0.2
577.23016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01610	1.3
61.98722	33.3
68.61977	0.5
71.01264	6.3
71.58662	0.7
73.02847	2.1
74.31847	0.4
74.86714	0.5
77.05914	0.5
83.01297	1.5
85.02858	3.2
88.98727	1.8
89.02354	1.5
93.03336	2.6
95.01284	0.8
96.95937	0.7
99.00781	0.7
101.02348	3.1
113.02332	2.8
115.23267	0.5
119.03466	0.8
121.09416	0.6
133.02884	1.1
135.04420	1.0
137.02379	2.4
143.03407	0.6
161.02403	1.2
161.04543	1.9
163.04059	0.5
173.04533	1.6
191.05632	2.2
227.12943	0.5
242.02322	0.5
267.23413	0.6
453.31729	0.6
471.33392	6.8
472.33997	0.8
489.34543	2.6
515.27893	1.5
531.35596	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
59.01268	16.8
62.99744	0.2
65.17496	0.2
68.09650	0.2
69.20814	0.2
70.82574	0.3
70.82920	0.6
71.01266	3.2
73.02834	0.7
83.01271	0.5
85.02860	0.6
87.00772	0.3
89.02351	2.6
95.01281	0.3
97.02827	0.3
99.04453	0.4
101.02354	3.4
113.02368	1.3
119.03408	0.7
119.83981	0.3
133.05017	0.2
134.36836	0.3
161.04533	1.1
174.58467	0.3
179.05525	0.5
185.61081	0.3
189.44145	0.2
235.08209	1.7
253.09335	13.7
254.09628	0.7
259.54343	0.3
261.02222	0.2
261.22379	0.3
279.23358	100.0
280.23709	9.4
296.27383	0.2
368.76871	0.3
369.90515	0.3
515.31860	0.3
575.25531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01610	1.3
61.98722	33.3
68.61977	0.5
71.01264	6.3
71.58662	0.7
73.02847	2.1
74.31847	0.4
74.86714	0.5
77.05914	0.5
83.01297	1.5
85.02858	3.2
88.98727	1.8
89.02354	1.5
93.03336	2.6
95.01284	0.8
96.95937	0.7
99.00781	0.7
101.02348	3.1
113.02332	2.8
115.23267	0.5
119.03466	0.8
121.09416	0.6
133.02884	1.1
135.04420	1.0
137.02379	2.4
143.03407	0.6
161.02403	1.2
161.04543	1.9
163.04059	0.5
173.04533	1.6
191.05632	2.2
227.12943	0.5
242.02322	0.5
267.23413	0.6
453.31729	0.6
471.33392	6.8
472.33997	0.8
489.34543	2.6
515.27893	1.5
531.35596	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	12.8
61.98701	0.5
69.28502	3.5
71.01263	3.2
73.02844	0.9
73.12861	0.3
78.95786	1.1
83.01272	0.4
85.02862	0.4
85.95132	0.3
87.00776	0.5
89.02351	2.4
94.65599	0.3
95.64556	0.4
96.95908	0.9
98.20589	0.5
99.04407	0.5
101.02348	2.9
105.85739	0.3
113.02351	1.3
119.03430	0.9
141.38138	0.3
152.99503	0.5
161.04568	1.5
191.05522	0.6
235.08192	1.5
252.68060	0.3
253.09334	15.0
254.09708	0.8
268.76398	0.3
279.23349	100.0
280.23682	9.0
515.32483	0.5
580.29822	0.3
594.27081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.3
57.03333	0.6
59.01268	6.4
61.98720	3.7
69.03338	0.2
71.01270	2.5
71.59759	0.2
72.99188	0.3
73.02844	2.0
75.00760	0.4
78.91783	0.4
83.01273	0.5
85.02843	0.9
85.57394	0.2
87.00787	0.4
88.98723	1.1
89.02346	0.8
89.03843	0.4
91.51066	0.2
93.03362	1.0
96.95911	2.1
96.96870	0.3
99.00775	0.3
99.04417	0.5
101.02351	1.4
105.03378	0.4
107.04962	0.5
109.02846	0.3
111.00795	0.4
113.02380	0.7
115.01811	0.2
117.03371	0.8
118.03702	0.3
119.04943	0.5
119.76547	0.2
121.02882	0.4
123.04414	0.3
125.02420	0.3
127.05137	0.4
131.03404	0.2
132.02087	2.1
133.02885	37.2
134.03268	1.6
135.04456	12.0
136.04816	0.7
137.02364	0.7
145.02898	1.0
147.04488	0.4
159.04475	0.7
160.01541	0.4
161.02394	100.0
162.02727	6.6
163.03967	0.6
173.04543	0.5
175.03966	0.5
177.01860	0.4
178.02563	0.3
179.03474	7.8
180.03723	0.4
191.05589	2.1
203.03494	0.7
229.01372	0.3
255.02965	0.4
258.10968	0.2
271.02698	0.6
283.02524	0.4
299.01999	0.6
314.04486	0.3
327.21796	0.9
339.05121	0.3
365.08707	0.3
489.17688	2.3
512.22345	1.9
513.17499	0.3
515.27618	0.2
531.18878	47.8
532.19257	7.7
532.27490	0.4
539.21509	0.2
575.25323	1.4
576.25122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	11.3
61.98726	4.1
67.59849	0.5
70.41328	1.1
70.41724	1.2
71.01299	1.3
73.02853	1.2
73.52943	0.5
83.01272	0.6
89.03896	0.9
93.03387	1.1
96.95898	1.3
99.04432	0.6
101.02393	0.7
107.04948	1.6
108.02082	0.6
109.02879	1.6
113.02388	0.8
116.92780	0.9
117.03405	3.2
121.02857	0.9
123.04443	1.0
132.02098	4.6
133.02882	39.5
134.03673	37.0
135.04453	79.3
136.04767	3.4
137.02357	1.8
145.10265	0.5
147.04457	1.4
149.06047	4.8
159.04504	1.3
160.01607	10.0
160.05226	0.8
161.02388	100.0
161.05977	2.8
162.02780	4.0
163.03989	0.8
173.04547	0.8
173.06018	1.4
175.02516	0.8
175.03960	11.7
176.04283	0.8
178.02646	1.8
179.03459	48.4
180.03835	2.2
191.05583	2.7
193.05032	18.6
194.05347	0.9
201.72351	0.6
203.07068	1.2
217.04916	0.7
259.26688	0.5
277.07242	3.7
278.07687	0.8
295.08276	5.4
309.09821	1.2
337.09357	25.4
338.09399	1.8
351.10880	3.7
352.11249	0.8
353.10037	0.9
355.10394	8.3
395.09787	1.7
471.13092	20.3
472.13080	2.0
489.14252	2.6
531.15192	63.6
532.15564	9.8
575.24805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50608	0.1
57.03329	1.2
59.01268	2.2
62.63476	0.1
64.99905	0.2
65.00174	0.7
69.03339	0.7
70.91439	0.3
71.01265	0.8
71.04906	0.2
73.02847	0.2
76.59844	0.1
80.02571	0.2
81.03349	4.2
83.01260	0.9
85.02847	0.5
85.06487	0.5
87.04401	0.6
88.98681	0.2
89.02354	0.1
89.03881	0.1
93.03355	0.4
95.01300	0.3
95.04923	0.4
97.02850	3.0
98.93617	0.1
99.00815	0.1
101.02350	0.3
107.01289	0.5
107.04949	0.4
108.02052	0.2
109.02880	0.3
109.06497	2.8
111.04424	4.6
112.04745	0.2
113.02383	0.5
115.03881	0.2
117.03382	0.4
119.04972	0.2
121.02859	0.4
121.06517	0.2
122.03637	1.3
123.04473	0.7
123.08095	0.2
124.01590	0.2
125.02370	10.2
126.02687	0.4
127.07558	0.3
129.73561	0.2
132.02101	5.7
133.02975	0.6
133.06523	0.2
134.03668	5.2
135.04404	0.6
136.05211	0.2
137.02364	0.9
139.03943	0.4
145.02859	0.2
147.04448	0.5
149.02393	1.8
149.05989	0.9
151.00291	1.1
151.04018	0.4
151.07590	26.7
152.01115	0.4
152.07916	1.4
153.05498	1.0
160.01608	19.4
161.02306	1.8
163.03976	0.4
165.05518	0.1
165.09123	0.2
166.02631	0.2
167.03448	1.0
173.59886	0.1
175.03964	16.7
176.04327	1.1
177.01924	0.2
177.05536	1.0
178.02664	0.6
179.03476	0.3
189.05626	0.2
190.02687	0.2
191.03488	0.4
191.05544	0.2
191.07121	0.7
193.05031	3.7
194.05530	0.3
195.06604	100.0
196.06946	5.6
201.01869	0.2
207.06613	0.6
209.04623	0.2
209.08160	0.5
217.05075	0.8
219.06613	2.6
219.88670	0.1
220.07001	0.2
221.08209	0.4
222.08482	0.2
231.06671	0.4
233.04558	0.2
233.08180	0.6
234.05418	0.7
235.05978	0.4
236.06769	0.2
237.07704	1.9
247.06046	0.6
248.06714	0.2
249.07703	1.5
250.07840	0.2
251.05597	0.3
260.06845	0.3
261.07703	1.2
263.09042	0.2
275.09268	0.4
277.07132	0.2
278.08002	0.1
293.06735	0.3
293.10443	0.2
309.06085	0.2
311.07739	0.4
321.09863	1.4
333.20789	0.4
337.09390	0.2
365.08752	0.3
379.10422	7.2
380.10855	0.8
381.12000	11.5
382.12320	1.2
399.12961	0.4
437.18381	0.6
473.67096	0.1
505.13849	0.8
575.17743	4.8
575.25793	0.4
576.18030	1.1
601.72711	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	574.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.2
61.98717	100.0
62.98417	0.2
64.59853	0.1
69.84384	0.3
69.84797	0.5
71.01271	0.4
71.77422	0.1
75.00761	0.5
85.02869	0.4
89.02328	0.2
90.54451	0.1
97.02864	0.2
98.19891	0.2
101.02371	0.2
113.02355	0.5
127.07582	0.4
161.02364	0.2
162.03191	1.0
165.60178	0.1
177.05586	0.8
191.05605	0.3
191.07158	0.4
192.07558	0.2
193.07848	0.1
196.47829	0.1
206.09082	0.2
271.02652	0.2
271.71799	0.1
299.02130	0.3
316.95508	0.1
331.19312	0.5
332.19540	1.7
333.19742	1.2
334.20078	1.0
349.20508	0.5
350.20563	0.8
351.20752	0.6
352.21191	0.9
485.13278	0.2
531.21118	1.4
574.25470	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10922	0.1
51.49987	0.1
59.01265	1.5
61.98717	100.0
62.98417	0.2
71.01279	0.3
71.59631	0.1
72.99178	0.1
85.02849	0.1
89.02339	0.1
93.03349	0.1
95.01314	0.1
96.95928	0.1
100.88310	0.1
105.56480	0.1
112.16321	0.1
113.02357	0.2
127.07575	0.3
128.07953	0.1
133.02875	0.4
135.04471	0.3
145.02943	0.1
161.02402	1.5
162.02765	0.2
179.03477	0.2
191.05595	0.4
191.07156	0.2
192.07487	0.2
194.92641	0.1
205.08733	0.2
206.09239	0.1
207.09381	0.1
314.18518	0.1
331.19318	0.5
332.19583	1.1
333.19843	1.1
334.20129	0.8
349.20383	0.3
350.20520	0.9
351.20889	0.5
352.21112	0.6
375.20819	0.1
376.21185	0.1
410.36627	0.1
429.72311	0.1
496.73560	0.1
530.17389	0.2
531.18982	0.3
531.27435	0.1
574.19800	0.1
575.25104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.0
61.01707	0.1
61.98716	100.0
62.98434	0.2
70.97203	0.2
71.01279	0.4
75.37984	0.1
82.81398	0.1
83.61236	0.1
85.02852	0.3
88.98702	0.7
89.02336	0.6
89.65781	0.1
90.02663	0.1
91.02773	0.1
93.03370	0.2
96.95967	0.1
97.06497	0.2
98.06772	0.1
101.02364	0.2
111.04433	0.1
113.02370	0.2
119.03390	0.1
119.04974	0.1
120.03754	0.1
121.02901	0.3
133.02910	0.1
134.03694	0.2
137.02371	0.1
145.02913	0.1
160.01665	0.3
161.02431	0.3
173.04602	0.1
175.03966	0.2
179.05553	0.2
184.03220	0.1
191.05565	2.0
195.06660	0.3
205.65269	0.1
296.07208	0.1
311.09402	0.2
326.24182	0.1
349.20404	0.2
383.07785	1.4
383.12210	0.2
427.34256	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	574.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53894	0.1
59.01263	1.1
61.98720	100.0
62.98414	0.2
70.63352	0.4
71.01286	0.5
72.99191	0.2
75.00793	0.2
85.02849	0.4
87.00800	0.2
88.98711	0.1
89.02340	0.2
93.03374	0.5
94.22575	0.1
96.95919	0.2
101.02371	0.2
103.62340	0.1
111.04495	0.1
113.02383	0.3
115.74074	0.1
117.03407	0.2
119.04913	0.7
132.02113	0.2
134.03699	0.5
135.04480	0.3
137.02390	0.2
145.02934	0.5
149.65529	0.1
157.84225	0.1
160.01614	0.6
161.02379	0.1
163.02878	0.1
163.03935	0.6
173.04509	0.4
175.03976	0.6
191.05586	1.5
191.07140	0.2
193.05032	0.3
227.03537	0.1
255.03136	0.2
283.02637	0.2
331.19339	0.2
332.19391	0.5
333.20016	0.4
334.20380	0.4
349.20389	0.3
350.20718	0.2
351.21249	0.2
352.21445	0.2
353.08981	0.2
376.21448	0.2
428.13300	0.1
450.22354	0.1
474.23285	0.1
531.28265	0.2
574.24005	0.4
575.26941	0.2
583.15289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62162	0.7
57.42050	0.6
58.00463	0.7
59.01264	46.7
61.98720	0.8
70.64648	1.9
71.01271	10.3
73.02823	1.7
78.95797	6.3
80.30946	0.5
81.78175	0.5
83.01265	1.0
83.10661	0.6
85.02840	2.7
87.00770	1.7
89.02339	11.3
93.03342	0.6
95.01290	0.7
96.95898	1.7
96.96866	1.2
99.00834	0.7
101.02341	12.0
102.32422	0.6
108.74021	0.6
113.02361	6.5
119.03405	3.3
136.17101	0.7
143.03416	0.9
145.08032	0.7
152.99519	4.8
161.02434	0.7
161.04504	6.2
179.05548	2.4
191.05582	2.1
231.21141	1.1
233.22731	0.9
241.01199	1.5
253.09328	100.0
254.09770	4.2
255.23314	1.0
256.23746	1.3
257.23978	0.9
277.21783	68.3
278.22141	6.6
281.44299	0.6
316.38858	0.6
352.94403	0.7
573.29889	6.0
574.29004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
61.98744	1.4
64.15836	1.3
65.96213	1.4
69.59817	1.6
71.58823	2.8
78.95805	4.7
84.17539	1.2
97.36862	1.4
97.87780	1.4
99.04436	16.6
102.29012	1.4
104.04685	1.3
107.19517	1.6
134.60506	1.4
139.83022	1.4
181.32956	1.4
181.93607	1.5
198.81949	1.6
405.77417	1.5
513.28864	7.0
574.11694	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	573.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61364	0.2
57.03329	0.9
59.01266	19.8
61.42757	0.2
61.98708	0.9
69.03334	0.7
71.01273	7.3
71.04911	0.4
72.01707	0.2
72.02044	1.1
72.99203	0.7
73.02837	2.4
78.95794	3.2
81.03332	0.4
82.88354	0.3
83.01292	0.3
83.04912	1.3
85.02835	2.4
87.00754	0.6
87.04406	2.4
89.02337	2.8
93.03359	10.4
95.01298	0.5
96.95911	0.9
96.96854	0.6
97.02856	2.5
97.06490	0.3
99.00777	0.6
99.04420	0.5
101.02351	2.7
109.02866	1.1
109.06490	0.4
111.00833	0.2
111.04414	0.6
112.34360	0.3
113.02370	2.2
119.03453	1.1
119.04934	1.0
121.02888	0.5
123.08065	0.6
125.02377	0.4
127.07584	1.7
135.04411	0.5
137.02379	13.9
138.02679	0.6
143.03416	0.4
145.02892	0.5
153.09251	0.2
159.02907	0.3
159.10213	1.4
161.02359	0.4
161.04515	2.3
163.03915	0.3
164.04271	0.3
165.08990	0.3
171.06599	0.6
173.04555	1.1
179.03477	0.2
179.05537	0.9
189.12817	0.5
191.05582	4.0
191.10498	0.3
205.15927	0.4
211.07695	0.3
233.15501	3.8
243.44223	0.2
249.14973	0.5
261.18634	0.6
263.20047	0.4
271.20825	0.5
273.18970	0.2
287.16464	0.3
289.18484	0.5
289.21796	1.4
299.16568	1.6
305.21109	0.3
307.22910	0.7
315.19693	1.9
317.17651	0.7
318.18280	0.3
327.08719	1.0
331.19431	0.3
333.20786	8.7
334.21240	0.9
349.20264	0.7
351.21844	100.0
352.22186	10.4
372.18164	0.3
411.12045	0.7
413.10995	6.4
414.11435	0.8
419.11743	0.5
431.12018	3.6
432.12625	0.4
513.27209	5.6
514.27374	1.0
573.19128	1.9
573.29279	0.9
574.17755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2932
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
55.01752	1.1
58.00486	1.2
59.01266	48.5
60.01600	1.0
61.98715	4.9
71.01274	42.7
72.01627	1.0
72.99205	1.5
73.02839	12.7
75.00795	0.7
78.91778	10.8
83.01289	3.5
85.02847	10.6
87.00778	1.9
89.02342	53.5
90.02718	0.9
95.01293	2.1
98.19700	1.2
99.00779	18.6
99.04436	1.0
101.02348	33.6
113.02354	12.1
115.03898	0.9
119.03422	5.7
125.02396	2.8
131.03416	9.6
143.03381	1.1
149.04501	40.8
161.04492	5.5
188.55223	0.8
191.05577	9.8
221.06636	3.1
224.41650	0.9
233.06673	1.0
251.07756	5.4
293.08832	1.1
381.23035	5.0
488.30191	1.1
513.27173	100.0
514.27490	13.9
583.48376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.5
58.00485	4.6
58.13304	0.6
59.01265	100.0
60.01597	1.6
60.43163	0.7
61.98726	1.9
68.73241	0.6
69.03337	1.1
70.25625	0.7
70.92996	2.0
71.01271	66.4
72.01611	1.0
72.99201	4.4
73.02837	2.6
75.00769	0.9
78.95799	1.9
83.01285	2.3
85.02838	10.1
87.00751	4.6
89.02339	99.8
90.02655	1.1
93.03345	1.8
95.01281	3.4
96.95911	8.6
98.95499	1.3
99.00793	0.9
101.02351	35.2
107.03415	1.0
108.17709	0.9
109.02893	1.7
113.02357	28.2
114.02697	0.9
119.03424	41.1
125.02373	1.4
131.03436	4.9
133.02864	2.8
134.03624	1.2
135.04474	5.5
137.02350	1.2
143.03442	11.9
145.02884	1.3
149.04489	4.6
161.02414	8.2
161.04503	12.0
165.05510	0.7
173.04483	2.0
177.02002	0.7
179.03481	3.4
179.05576	50.2
180.05937	2.3
191.05560	7.1
192.99614	1.5
193.04922	1.0
243.62982	0.7
271.02432	1.1
286.34924	0.7
297.69205	0.7
299.01999	1.6
365.18134	0.7
513.27130	8.5
514.27466	1.7
529.26245	1.1
573.21375	2.8
573.29626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04385	0.7
57.03317	1.2
59.01254	7.4
60.99199	5.8
61.98724	4.1
67.01777	13.6
67.58672	0.7
69.03340	3.0
69.87643	3.4
69.88070	1.5
71.01270	6.4
72.99162	0.7
73.02834	1.4
81.03358	3.3
82.77383	0.9
83.04904	3.2
85.02837	7.7
87.00775	18.7
93.03360	97.6
94.03687	3.1
95.04933	1.0
96.94173	0.7
99.00780	1.1
99.04404	1.2
105.03365	4.2
109.02866	9.4
111.04430	14.1
113.02335	1.1
123.04424	1.0
127.03984	1.9
129.01848	2.8
133.02884	45.6
134.03276	2.0
135.04448	10.4
137.02374	1.2
150.03114	0.8
151.03995	1.3
155.03438	2.8
158.58746	0.8
161.02365	1.2
167.08586	1.8
173.04518	58.9
174.04860	3.0
177.01898	22.4
178.02275	0.8
179.03513	4.5
191.05589	61.6
192.05896	1.8
215.05611	29.4
225.23289	0.8
283.24512	1.6
293.22754	3.0
307.08331	3.8
309.22284	1.1
351.07303	100.0
352.07611	8.9
355.22913	1.5
381.20755	3.3
399.21298	0.9
435.63681	0.8
555.26105	95.7
556.26453	19.5
573.26953	9.4
574.27252	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	573.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93509	0.3
55.01772	1.2
57.03340	1.4
59.00959	0.6
59.01266	22.0
61.98719	100.0
62.98428	1.3
63.99139	0.9
69.03348	1.1
71.01272	19.9
71.29827	0.7
72.01645	0.4
72.99210	1.1
73.02837	2.3
75.00793	1.1
78.95818	0.5
81.03371	0.9
83.01283	3.1
84.02039	0.3
85.02844	12.7
85.03366	0.7
86.03220	0.4
87.00762	2.2
88.98708	2.4
89.02335	6.3
93.03367	1.9
95.01319	1.3
96.95913	8.0
96.96499	0.4
97.02863	2.3
99.00782	13.8
99.04448	0.9
101.02348	6.7
108.02121	0.4
109.02872	1.2
111.04456	0.4
113.02360	15.4
114.02706	0.6
117.08908	0.3
119.03413	3.3
119.04894	0.8
119.89243	0.3
124.30441	0.3
125.02354	4.0
127.04007	0.7
129.01976	0.3
133.02911	0.5
134.03737	0.5
135.04483	1.3
137.02390	3.3
143.03433	10.5
144.03827	0.7
148.05244	10.3
148.06400	0.6
149.02455	0.4
149.05734	0.3
151.04012	0.6
155.03415	2.4
161.02356	1.1
161.04495	3.2
161.91882	0.3
163.03998	0.9
163.07596	4.6
164.07964	0.5
167.03586	0.4
173.04567	0.8
175.03934	0.4
179.03493	1.5
179.05568	2.6
185.04459	0.5
191.05582	1.8
193.05087	0.6
203.05624	2.7
227.05630	0.8
245.06758	0.8
283.32391	0.3
287.07928	0.6
305.08911	0.8
313.27228	0.4
323.09964	2.5
331.19122	0.4
332.19720	0.6
333.20029	0.5
350.20850	0.7
351.21729	2.3
365.11035	4.3
392.22006	0.4
393.22235	0.5
407.65051	0.4
449.56088	0.3
513.26953	1.2
529.26947	0.7
531.27399	0.5
573.24634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20193	0.6
55.01786	0.8
57.03353	1.4
59.01265	19.9
61.98717	10.2
67.01768	0.7
69.03364	0.8
70.75282	2.1
71.01270	7.4
72.86715	0.5
72.99207	2.6
73.02850	2.4
73.48958	0.7
74.28876	0.6
75.00774	0.9
83.01296	1.1
84.51641	0.6
85.02846	5.9
87.00797	1.6
88.98692	4.6
89.02321	3.0
93.03372	2.7
94.03698	0.6
95.01293	1.8
96.95936	1.6
97.06557	0.6
99.00803	1.8
99.04419	0.8
101.02364	3.8
108.02082	48.8
109.02916	8.1
113.02369	5.2
119.03461	1.1
119.04936	1.7
123.00831	0.7
123.04398	1.3
125.55285	0.6
129.01869	0.7
133.02879	2.2
134.03668	1.0
135.04485	3.7
137.02356	1.6
143.03511	0.7
143.10725	21.1
143.11858	1.0
145.02852	1.1
149.06041	0.8
151.03961	1.5
152.01096	100.0
153.01825	5.3
160.01588	1.1
161.02396	2.0
163.03998	5.3
173.04483	3.4
175.04033	0.9
177.01918	1.6
179.03491	1.9
189.05550	1.1
191.05603	8.9
429.05026	0.9
429.10495	11.3
430.10840	0.8
440.32736	0.8
477.22641	1.2
531.28204	0.8
573.21942	93.8
574.22333	15.5
574.32410	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	573.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35841	0.4
59.01262	5.7
61.98712	1.8
67.90930	0.4
69.56319	1.7
69.56747	1.6
70.72710	0.5
71.01270	1.2
83.01242	0.4
85.02847	1.1
89.02351	0.6
93.03381	0.7
96.95954	0.4
105.03358	0.7
107.04949	0.9
107.95615	0.4
113.02368	1.3
117.03394	1.1
119.05014	0.4
121.02902	0.6
121.76121	0.4
126.42289	0.5
132.02109	1.8
133.02890	35.9
134.03625	1.8
135.04449	19.8
136.04785	0.8
137.02371	0.9
148.05244	10.0
153.05455	0.5
161.02397	100.0
162.02744	4.2
163.07600	4.0
173.04483	0.5
175.03993	0.5
177.01913	2.1
179.03459	12.7
179.04932	0.8
180.03838	0.8
191.05649	1.0
203.03424	0.6
265.70288	0.4
365.08847	4.4
384.20486	0.4
397.20355	0.5
440.33069	0.5
469.15497	0.5
485.81140	0.5
487.16220	0.8
529.17291	45.8
530.17596	7.7
537.23700	1.3
543.26526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.7
59.23752	0.2
66.92379	0.2
71.01290	0.5
71.06623	0.4
85.02832	0.4
93.03326	0.3
95.04937	0.2
101.02362	0.2
103.04783	0.2
104.02556	0.2
105.03367	0.6
107.04945	0.2
115.01810	0.3
117.03372	0.7
121.02871	0.3
132.02103	2.3
133.02887	41.8
134.03268	1.4
135.04456	13.6
136.04764	0.6
137.02385	0.6
148.05238	11.2
149.05661	0.7
159.04474	0.7
161.02396	100.0
162.02740	5.4
163.03944	0.3
163.07596	4.0
164.07950	0.3
175.03934	0.3
179.03471	6.9
180.03703	0.3
182.81401	0.2
191.05644	0.2
203.03488	0.8
305.06790	0.3
365.08862	5.2
366.09207	0.4
431.37778	0.2
487.16217	2.1
488.16769	0.3
529.17285	46.2
530.17615	7.7
530.24060	0.2
541.23883	0.2
558.59930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42482	0.1
59.01267	1.1
60.01604	0.1
61.98718	100.0
62.98419	0.2
62.99160	0.1
71.01296	0.4
71.04919	0.5
71.58398	0.1
72.05270	0.1
72.99220	0.1
73.02850	0.1
75.00765	0.1
76.96103	0.0
78.95811	0.1
83.01344	0.1
85.02859	0.3
89.02340	0.1
90.05288	0.0
93.03354	0.1
96.05077	0.1
97.02881	0.2
97.58315	0.1
98.03214	0.1
101.02364	0.2
109.02874	0.1
111.04462	0.1
113.02375	0.2
114.02723	0.1
119.03394	0.1
119.04964	0.1
121.02886	0.1
123.08083	0.6
124.07625	0.1
124.08409	0.3
125.08774	0.1
127.07594	0.3
128.07915	0.1
133.02919	0.1
134.03697	0.1
135.04439	0.6
137.02434	0.1
147.51569	0.1
151.03981	0.1
155.35345	0.0
169.92560	0.1
173.04485	0.1
178.02608	0.1
179.03470	0.4
179.05672	0.1
184.07016	0.1
189.09271	0.2
190.09564	0.2
191.05597	0.5
191.07166	0.5
191.09796	0.1
192.07420	0.3
193.07799	0.0
205.08669	0.4
206.09036	0.3
222.08560	0.1
227.03517	0.4
245.12019	0.1
246.12199	0.1
248.61418	0.1
255.03003	0.7
256.03812	0.1
263.12952	0.1
264.13388	0.1
268.70990	0.1
283.02570	0.7
284.03290	0.6
285.03995	0.1
305.20535	0.1
314.18692	0.1
329.17755	0.5
330.17990	0.9
330.21576	0.1
331.18939	1.9
332.19498	2.0
333.19470	0.1
347.18683	0.6
348.19043	0.9
348.23059	0.1
349.19687	1.1
350.20227	1.0
352.08078	0.1
353.08868	0.2
372.19086	0.1
373.19785	0.2
374.20139	0.2
391.21024	0.1
392.21237	0.1
529.26361	0.1
572.22522	0.1
573.25311	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	572.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	4.1
60.01606	0.2
61.98719	100.0
66.35184	0.2
71.01270	1.7
71.58305	0.2
71.58664	0.2
72.01609	0.2
73.02852	0.3
75.00762	1.0
78.72970	0.2
78.95815	0.5
83.01276	0.2
85.02834	0.8
87.00799	0.2
87.74561	0.2
89.02338	0.9
93.03384	0.3
95.01276	0.2
96.95927	0.4
97.02865	0.2
99.00808	0.2
101.02367	0.8
108.46857	0.2
109.02883	0.6
111.04492	0.2
113.02345	0.9
117.03380	0.2
119.03445	0.4
119.04903	0.2
127.07581	0.4
138.40790	0.2
145.02930	0.2
163.03987	0.2
173.04550	0.2
173.27713	0.1
179.05556	0.2
189.21643	0.2
191.05641	0.8
191.07118	0.4
192.07471	0.2
201.04047	0.2
205.08649	0.3
206.38882	0.2
303.19785	0.6
304.06998	0.2
304.20087	0.9
305.20432	0.7
306.20807	0.4
314.18750	0.2
331.19281	1.6
332.19574	2.0
347.18747	1.5
348.19034	2.5
349.19485	2.6
350.20084	2.6
351.21677	0.2
365.30179	0.2
372.18085	1.0
373.20502	0.2
374.20575	0.2
392.21695	0.3
469.27979	0.2
513.27173	3.9
573.25702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.1
61.98717	100.0
62.98421	0.2
68.28940	0.1
70.32593	0.3
71.01278	0.6
71.04915	0.5
72.05241	0.1
72.99229	0.1
73.02834	0.2
75.00804	0.1
78.95831	0.1
81.59090	0.1
85.02864	0.2
87.00777	0.1
88.98736	0.1
89.02346	0.2
92.46517	0.1
93.03383	0.2
96.09164	0.1
96.95902	0.3
97.02893	0.2
99.00784	0.1
101.02337	0.4
109.02888	0.1
111.04403	0.1
113.02375	0.2
119.03400	0.1
119.04951	0.2
123.08074	0.4
124.08437	0.2
127.07547	0.2
128.07932	0.1
133.02887	0.5
134.03728	0.1
135.04460	0.9
136.04878	0.1
137.02417	0.1
145.02893	0.1
161.02390	1.1
161.04523	0.1
162.02702	0.2
163.04027	0.2
173.04597	0.2
175.04047	0.1
178.05231	0.1
179.03459	0.7
189.09254	0.1
190.09589	0.2
191.05730	0.6
191.06969	0.6
191.09705	0.1
192.07535	0.3
205.08673	0.4
206.09132	0.3
221.04605	0.1
221.08331	0.1
227.03616	0.2
255.03058	0.3
265.13660	0.1
281.06726	0.1
283.02481	0.5
284.03418	0.3
285.04138	0.1
329.17639	0.5
330.17957	0.6
331.19052	2.0
332.19452	2.1
347.18835	0.5
348.18979	0.8
349.19708	1.0
350.20190	0.7
351.21347	0.1
353.08740	0.1
373.19745	0.2
374.20044	0.2
391.20880	0.1
392.21066	0.1
449.94983	0.1
509.21802	0.1
529.27106	0.1
572.24768	0.1
573.24945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49004	0.2
59.01268	4.4
60.01608	0.3
61.98721	100.0
66.49581	0.2
69.03341	0.3
70.31004	0.8
71.01287	1.7
73.02834	0.3
75.00760	1.9
78.95817	0.7
83.30078	0.2
85.02840	1.1
85.48233	0.2
87.00777	0.5
89.02349	1.2
93.03366	0.3
95.01342	0.2
96.95914	0.3
97.02885	0.2
99.00778	0.3
101.02337	1.1
108.35883	0.2
109.02924	0.4
111.04415	0.2
113.02368	1.0
117.03403	0.2
119.03430	0.4
119.04935	0.3
125.02340	0.2
127.07600	0.4
134.03662	0.3
135.04483	0.4
145.02950	0.3
148.05258	0.2
161.02295	0.2
161.04514	0.4
173.04570	0.4
179.03488	0.2
191.05606	1.1
191.07170	0.4
192.06050	0.2
198.55318	0.2
205.08676	0.2
223.24646	0.2
235.91675	0.2
242.88866	0.2
303.19669	0.6
304.19934	1.1
305.20520	0.8
306.20786	0.5
313.18320	0.3
331.19275	2.2
332.19516	2.4
332.22778	0.3
347.18768	1.5
348.19064	2.0
349.19730	3.8
350.20245	3.0
351.21381	0.3
372.18097	0.9
374.20807	0.2
513.27130	5.4
529.25928	0.2
572.20428	0.2
572.31329	0.2
573.25458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	5.2
60.35517	0.7
65.99735	6.4
67.52987	0.8
69.03334	0.8
71.01252	4.3
71.57246	1.1
72.99200	48.6
73.02808	1.0
78.95794	3.0
81.03365	1.4
83.04917	1.2
85.02843	6.5
87.00786	4.7
89.02339	1.0
93.03356	13.8
93.89384	0.7
95.04920	1.2
96.00863	0.8
96.95942	1.7
98.02380	4.1
98.33753	0.8
99.24300	0.7
101.02331	1.1
105.03399	0.8
107.04940	2.4
109.02872	3.9
111.04439	4.8
113.02389	1.1
118.02921	1.2
119.04956	1.5
120.04472	1.6
121.02872	4.1
123.04463	4.1
127.03899	2.2
129.01889	1.0
133.02896	8.0
134.03677	5.7
135.04454	81.2
136.04808	4.5
137.02371	10.2
137.06001	1.5
139.03987	0.9
146.02408	1.3
147.03189	3.6
147.04451	10.7
148.03973	5.5
149.02400	3.0
149.06049	1.5
150.03157	1.6
150.05568	3.9
151.04001	5.0
155.03450	3.8
160.03984	1.3
161.02386	9.3
162.05557	13.2
163.03967	2.0
164.03424	0.9
164.07123	1.3
165.05542	10.7
170.63914	0.8
172.04051	0.9
173.02292	2.0
173.04526	26.5
173.06024	1.5
174.01910	1.8
174.05615	13.7
174.24582	0.8
175.00455	0.9
175.03979	1.1
176.03514	6.4
177.01874	2.3
178.02696	1.7
179.03462	53.6
179.07050	1.5
180.03798	2.8
185.96646	0.7
190.01445	0.7
190.05061	1.6
191.03758	3.4
191.05586	100.0
192.02977	2.7
192.06444	6.8
195.02968	2.1
200.03529	5.7
201.04021	0.8
209.04581	1.9
216.02910	1.4
218.01358	4.0
218.04587	27.4
219.02977	2.4
219.04871	1.3
220.02588	1.1
228.23018	0.8
236.01942	3.0
236.05661	59.7
237.05923	3.2
247.04669	2.6
272.07843	2.0
325.77798	0.7
335.07687	6.8
351.07492	1.6
351.21899	2.2
352.07898	0.8
353.08859	45.0
354.09180	4.4
374.08820	2.2
392.10010	20.9
393.10159	3.2
409.08231	1.1
410.11047	57.7
411.11472	6.3
511.25418	0.9
512.26349	1.1
541.23737	1.0
550.02509	0.9
554.13599	1.6
572.13922	7.5
573.12823	1.0
573.27124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2903
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.08997	0.6
61.98703	0.7
64.67268	0.5
69.25422	0.6
78.95799	56.9
93.03329	0.7
96.96868	13.9
113.43846	0.6
120.33064	0.5
134.98462	0.8
144.87917	0.5
149.14795	0.6
152.99536	54.3
153.99899	0.8
160.09949	0.5
161.78612	0.5
223.00221	1.2
232.68834	0.7
241.01233	27.9
243.67685	0.6
255.23344	67.7
256.23703	6.5
259.02368	0.7
315.04950	7.6
333.20950	0.9
391.22717	4.0
409.23462	0.7
571.29041	100.0
572.29401	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	571.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.1
64.47481	0.5
65.85249	0.5
69.64474	2.5
69.64904	2.0
78.95791	65.1
90.15746	0.6
96.96867	13.0
98.00007	1.1
150.97926	1.1
152.99522	73.8
153.99858	1.9
171.00728	0.8
223.00142	1.6
241.01204	29.9
242.01544	0.8
255.23323	71.2
256.23666	6.2
259.02139	0.8
315.04959	7.6
333.20761	11.6
334.21097	0.9
391.22629	4.9
409.23682	6.6
411.40848	0.6
571.29004	100.0
572.29352	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53345	0.3
69.39678	3.0
78.95794	55.3
96.96867	11.9
100.22078	0.3
130.32379	0.4
133.69720	0.3
134.98505	0.5
150.97957	0.6
152.99525	54.2
153.99861	0.9
171.00618	0.5
204.67949	0.3
223.00081	1.6
237.22202	0.3
241.01216	29.0
242.01581	1.0
255.23337	63.4
256.23679	5.9
259.02264	0.6
259.54047	0.3
315.04916	7.8
333.06189	0.4
391.22623	5.1
392.22739	0.6
409.24033	0.4
571.29010	100.0
572.29358	17.8
572.38440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30460	0.3
59.01266	17.5
61.98718	64.3
63.29459	0.4
69.03349	0.6
71.01273	5.9
71.04922	1.4
71.58355	0.6
72.99212	0.9
73.02845	1.3
75.00765	3.5
76.58849	0.4
76.92940	0.4
78.95784	2.4
81.03348	0.6
83.01283	0.5
85.02842	2.6
87.00771	0.8
89.02350	4.1
93.03356	2.0
95.01291	0.6
95.04939	0.4
96.95905	0.7
96.96858	0.5
97.02847	3.1
97.06522	0.5
101.02361	3.6
101.46512	0.4
102.54672	0.3
109.02850	0.9
111.04445	0.9
113.02364	5.2
119.03405	1.8
119.04932	0.9
120.99590	0.6
121.02896	7.0
121.03769	0.5
123.04416	0.6
123.08074	3.4
124.01615	0.5
124.08379	0.8
127.06730	0.8
127.07579	5.7
133.02898	1.2
134.03693	0.8
135.04465	2.1
137.02388	1.2
145.02867	0.7
147.04471	0.5
150.03169	0.6
160.01636	0.7
161.02449	2.5
161.04498	1.6
161.09669	0.6
163.03964	0.7
165.05537	1.4
171.10231	0.4
173.04550	1.2
175.03998	0.9
179.03473	1.2
179.05618	0.8
184.24936	0.3
189.09218	1.0
191.05569	3.9
191.07106	22.2
192.05881	0.7
192.07474	1.5
193.05037	0.7
195.06529	0.5
200.02100	0.4
203.10780	0.5
203.14459	0.8
205.08687	15.7
206.09215	1.9
207.10165	0.5
213.83998	0.4
221.08206	2.2
268.15274	0.4
285.18542	0.5
313.18195	4.7
314.18573	0.5
329.17682	2.5
329.21432	1.3
330.17932	1.8
331.19214	100.0
332.19571	13.0
347.18680	2.0
347.22314	0.4
348.18927	1.0
349.20276	38.8
350.20605	4.7
361.29178	0.4
363.21808	1.2
373.20178	5.4
374.20645	0.7
391.21262	3.7
392.21933	0.9
403.21384	0.6
413.14563	1.3
503.73029	0.4
511.25626	0.7
571.18707	0.8
571.26758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.7
57.03327	1.1
57.54966	0.7
58.00499	1.4
59.01269	100.0
60.01616	0.9
61.98727	7.0
62.14366	0.6
69.03349	1.5
69.66636	4.7
71.01276	19.7
72.99200	1.9
73.02829	3.8
74.19881	0.6
75.00768	3.1
76.25340	0.6
78.95835	3.2
83.01293	2.6
85.02849	4.8
87.00764	1.4
89.02343	15.5
93.03380	1.1
95.01293	1.1
97.02864	14.9
99.00820	4.3
101.02357	18.1
106.19946	0.6
107.04891	0.6
109.02872	1.7
111.04420	1.5
113.02369	8.5
116.36770	0.7
119.03436	10.7
119.04932	0.9
121.06576	0.9
123.08107	2.5
123.88313	0.6
127.07629	2.0
131.03452	0.9
135.04520	0.7
135.08072	0.9
143.03506	1.1
145.02892	0.7
149.09657	0.6
151.90610	0.6
161.04538	3.2
163.07521	0.9
163.11275	0.9
165.09215	1.4
173.04527	1.1
179.05623	2.1
187.07620	0.9
189.09244	1.9
191.05618	2.5
191.07269	1.8
191.10846	2.2
203.14497	0.8
205.08725	1.5
233.15451	1.4
259.20755	1.0
269.19217	0.7
285.18658	0.7
287.20218	0.6
303.19897	2.8
313.18207	7.4
314.18427	0.9
315.19824	2.3
325.18420	0.7
327.19901	1.3
331.19244	43.1
332.19623	5.5
333.20880	4.1
343.19458	1.4
345.21146	0.9
347.19122	0.8
349.20346	11.7
350.20703	2.1
355.19214	1.1
361.20569	1.0
367.21274	0.8
371.19965	0.7
373.20355	8.8
374.20953	0.8
389.23706	0.8
391.21387	50.8
392.21701	5.9
426.34323	0.8
433.22345	14.0
434.23096	2.8
511.25626	39.2
512.25964	7.6
568.82813	0.8
571.28021	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	571.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00880	0.8
54.35272	0.7
55.01764	1.4
57.03329	0.8
58.00482	0.7
59.01265	35.4
69.03336	3.3
70.06137	1.8
70.06553	2.5
71.01273	29.9
72.01636	0.8
72.99195	4.0
73.02838	7.5
75.00761	0.8
78.95786	1.2
81.03336	1.2
83.01285	2.7
83.04901	1.5
84.02065	1.1
85.02843	13.6
87.00760	2.0
89.02339	11.7
93.03358	4.2
95.01289	1.4
95.04961	1.0
96.95900	2.4
97.02855	7.8
99.00781	3.9
99.04424	5.8
101.02348	18.9
109.02862	3.4
109.06519	2.2
111.04412	2.2
113.02353	11.8
113.26470	0.7
119.03416	3.2
119.04955	1.4
121.02872	2.6
121.06506	2.0
123.04391	0.9
123.08056	1.3
133.02882	3.3
134.03659	0.9
135.04463	10.8
136.04759	0.9
137.02370	5.2
137.49101	0.8
143.03429	2.7
147.04416	1.2
149.02388	1.0
159.02919	3.2
161.02486	6.0
161.04507	24.1
161.05844	0.8
162.02707	2.1
163.04033	0.7
163.11247	0.9
165.01901	5.8
165.05467	1.4
173.04468	4.1
176.03430	1.0
179.03481	6.7
179.05531	1.7
179.06979	1.1
180.04251	3.8
180.46199	0.8
182.64526	0.9
189.74648	0.8
191.05573	11.0
191.10770	0.9
193.15707	0.8
195.06630	8.1
200.11597	1.0
201.54523	0.8
203.14394	0.8
218.04518	1.7
236.05618	2.8
269.19250	1.0
285.18649	0.8
287.20117	1.7
289.18066	1.0
292.30463	0.8
303.19745	10.9
313.18182	4.9
321.20871	4.4
331.19199	25.6
332.19586	3.4
335.07822	1.1
343.11795	1.1
349.20282	100.0
350.20605	13.1
353.08774	3.2
353.43045	0.8
358.73810	0.8
392.10028	0.9
410.10840	2.6
413.10858	3.0
493.24545	0.9
511.25607	41.0
512.26013	6.7
519.68243	0.8
571.15851	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95066	0.5
55.01763	1.3
57.03339	1.4
58.00493	1.0
59.01266	32.0
61.98704	0.5
65.03844	0.5
67.01775	0.5
69.03322	0.6
69.74225	3.1
71.00893	0.9
71.01276	14.9
72.99194	0.9
73.02838	3.2
75.00759	0.5
78.95798	62.7
81.03343	0.6
83.01279	2.7
83.04933	0.5
85.02848	8.3
85.81071	0.5
87.00785	2.8
89.02344	6.3
93.03358	5.5
95.01310	1.2
96.95927	0.6
96.96866	8.1
97.02882	0.9
98.20526	1.0
99.00789	2.0
99.04429	2.1
101.02345	12.8
109.02872	4.5
111.00793	1.1
111.04439	3.7
113.02370	6.2
116.92777	1.3
117.92802	1.0
119.03455	1.7
119.04947	19.5
120.05274	1.1
121.06511	9.8
129.01855	1.0
131.03444	0.6
135.04466	0.8
137.02347	1.1
143.68060	0.5
155.03436	1.3
161.02347	0.5
161.04489	0.9
161.09662	9.9
162.09978	0.5
163.03961	12.9
164.04340	1.0
165.05493	0.4
173.04536	3.9
178.02667	0.4
191.05612	17.1
192.05869	0.5
195.06641	0.7
213.12772	0.6
214.13651	0.8
219.13953	0.9
221.15482	10.0
222.15833	0.8
243.10339	0.5
257.12082	0.8
259.07132	0.8
287.20364	2.6
313.18341	0.6
331.19226	8.0
346.09836	2.4
383.20932	1.6
397.14294	13.2
398.14850	1.3
411.19980	0.6
420.05405	0.6
439.19745	1.0
449.25366	2.4
457.13608	15.0
458.13797	2.5
475.23459	1.3
493.24557	100.0
494.17560	0.8
494.24908	15.9
501.14423	0.6
511.25626	9.0
512.26257	1.5
526.08197	0.5
571.19635	21.9
572.19800	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.5
57.03335	0.8
58.00459	0.8
59.01266	17.2
61.98716	4.0
67.01777	0.8
70.45261	0.7
70.45658	0.8
71.01273	9.3
72.99185	1.4
73.02834	1.8
75.00764	18.7
78.95797	18.4
81.03375	0.9
83.01262	0.9
83.04919	0.6
85.02844	7.5
87.00774	2.0
89.02349	5.6
93.03368	3.5
94.03724	0.5
95.01276	2.1
96.95908	1.8
96.96863	2.7
97.02859	3.0
97.06507	0.6
100.01601	0.4
101.02343	4.9
109.02858	1.3
111.00808	0.7
111.04425	0.9
113.02361	11.2
114.02664	0.5
119.03462	2.4
119.04928	2.1
121.06487	0.8
123.00813	0.4
123.08080	2.7
127.07557	5.3
134.03685	0.8
135.04439	2.3
137.02397	1.0
138.15509	0.4
139.30966	0.4
140.18341	0.5
143.03481	0.9
145.02867	1.1
147.08078	0.6
149.06021	0.5
155.03455	0.7
159.11705	0.4
160.01582	0.6
161.02377	0.8
161.04526	2.9
163.03926	1.6
173.04538	2.3
179.03482	1.0
179.05602	1.0
189.09151	0.8
191.05568	7.7
191.07129	21.5
192.05917	0.5
192.07526	1.1
193.05000	0.6
202.13196	0.4
203.14415	0.8
205.08685	15.8
206.09261	1.5
207.10181	0.7
211.07555	0.7
221.08176	2.2
243.05495	0.4
255.02885	0.5
261.06174	0.8
269.19110	0.5
290.94559	0.4
297.09946	0.8
305.21356	0.5
313.18204	5.2
314.18686	0.6
315.19650	0.5
329.21255	1.1
331.19235	100.0
332.19595	10.3
345.20911	0.9
349.20279	31.8
350.20551	2.9
355.19202	0.7
363.21750	1.0
367.21292	1.2
373.20255	7.9
374.20587	0.9
385.20206	0.6
391.21384	6.0
397.14304	1.5
403.21442	1.3
421.22296	0.6
463.34567	0.5
511.25653	2.5
571.19672	6.3
571.28363	1.4
571.75928	0.7
572.19385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80635	0.3
57.03290	0.7
58.00423	0.6
59.01186	12.6
59.01517	1.7
61.98635	14.2
61.98995	1.8
67.01705	0.3
69.03266	0.5
71.01185	7.5
71.01612	0.7
71.04811	0.4
72.99101	1.2
73.02744	1.1
75.00674	3.0
78.95705	1.1
78.96126	0.5
83.01233	0.9
85.02755	4.6
87.00690	1.2
89.02335	5.1
93.03271	1.3
95.01282	2.1
97.02760	2.2
97.06438	0.8
99.00694	1.1
99.01283	0.3
101.02346	4.5
109.02791	0.9
109.06454	0.3
111.04388	0.5
113.02365	10.8
114.02631	0.3
119.03432	2.6
119.04877	0.6
123.04368	0.4
123.07983	1.1
127.07575	7.0
131.03308	0.3
133.02824	0.4
134.03593	0.4
135.04343	0.9
137.02318	0.5
143.03328	1.0
145.02808	0.4
147.07973	1.0
151.03979	0.4
159.11673	0.7
160.01614	0.4
161.02351	0.6
161.04478	1.9
161.09567	1.3
163.03987	0.6
163.11249	1.9
173.04381	1.2
173.13252	0.3
175.03941	0.5
179.03326	0.4
179.05562	1.7
186.56250	0.3
187.07404	0.4
189.05496	0.6
189.09045	0.5
191.05528	2.3
191.07106	13.7
192.05713	0.5
192.07397	0.8
193.04926	0.5
201.04012	0.5
201.09203	1.6
202.09731	0.5
203.10760	1.5
203.14342	0.7
205.08685	10.8
206.09152	1.2
207.10153	0.8
215.14407	0.5
221.08199	2.1
229.08722	0.8
232.14610	0.4
233.15457	0.8
247.09724	0.4
269.19141	1.0
287.20096	0.6
313.18134	4.2
314.18503	0.5
327.19763	0.8
329.21259	1.1
331.19223	100.0
332.19586	11.3
345.20776	1.7
347.18692	1.4
348.19156	0.8
349.20270	40.9
350.20560	5.6
355.19254	0.7
363.21884	2.2
364.22342	0.4
373.20258	13.9
374.20721	1.9
391.21365	7.3
392.21689	1.1
403.21490	1.4
415.21527	0.9
421.22525	1.3
433.22495	0.4
511.25885	0.8
571.24298	9.6
572.24683	1.8
581.80304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13408	0.7
52.01569	0.7
58.00486	4.0
59.01268	100.0
60.01625	0.9
69.84200	1.5
69.84619	1.9
71.01273	59.5
72.01622	1.0
72.99196	3.8
73.02832	0.9
81.03341	1.0
83.01302	1.5
85.02851	9.2
87.00801	3.6
89.02341	90.1
90.02692	1.9
95.01281	2.8
97.02857	1.2
97.06496	32.1
98.06828	1.1
101.02351	26.7
102.02680	0.9
107.04929	0.8
109.06514	1.0
113.02361	24.9
114.02650	0.7
119.03426	35.7
123.07944	0.8
125.02369	0.8
125.09638	0.6
131.03441	4.6
143.03439	8.0
144.03770	0.7
149.04523	3.4
161.02350	0.8
161.04494	8.5
163.11197	0.8
179.05585	37.2
180.05971	1.5
184.53586	0.7
191.05388	0.7
191.06963	1.0
257.84747	0.7
271.17160	1.0
307.97064	0.7
331.19232	20.6
332.19357	2.0
346.69153	0.7
349.20303	17.0
350.20465	1.8
556.78125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66656	0.4
59.01268	22.1
69.44966	3.0
71.01272	6.0
73.02842	0.6
75.00747	0.7
85.02840	1.8
89.02343	6.7
95.01285	1.1
97.02847	1.5
101.02359	3.9
113.02367	7.2
119.03430	3.3
123.08059	0.7
127.06640	0.4
127.07571	9.1
128.07866	0.6
131.03439	0.5
143.03410	1.2
147.08101	0.6
159.11702	0.7
161.04544	2.0
161.09644	1.4
163.11264	2.0
179.05602	2.2
191.07138	7.0
201.09296	0.7
202.19511	0.4
203.10800	1.3
203.14383	0.7
205.08691	6.8
206.09247	0.9
207.10207	0.8
221.08186	1.5
229.08737	1.0
269.19159	1.3
287.20410	0.4
298.96164	0.4
312.25824	0.5
313.18161	6.0
314.18643	0.5
329.21237	0.5
331.19235	100.0
332.19559	11.1
345.20740	0.9
349.20291	67.0
350.20645	7.3
355.19098	0.9
363.21854	1.4
373.20294	8.9
374.20639	0.9
391.21426	5.3
392.21863	0.7
403.21439	0.7
415.21420	0.4
421.22418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64330	0.4
54.29481	0.5
55.01789	0.9
57.03336	1.4
58.00477	0.7
59.01264	24.8
61.98713	0.7
67.01764	0.8
69.03355	2.3
69.53397	3.0
69.53807	0.9
71.01269	22.7
72.01597	0.7
72.99191	1.5
73.02837	4.0
74.21192	0.4
75.00755	2.1
78.95793	100.0
81.03354	1.3
81.34357	0.4
83.01279	2.0
83.04906	1.2
84.02045	0.5
85.02842	9.7
87.00769	2.8
89.02339	10.0
89.02892	0.5
93.03360	7.4
95.01292	1.9
96.68951	0.5
96.95947	2.7
96.96863	9.6
97.02853	4.5
98.20532	0.8
99.00768	1.8
99.04411	5.4
101.02341	13.3
103.72871	0.4
106.34982	0.4
107.04958	0.5
108.02084	1.3
109.02860	5.6
109.06536	1.0
111.00734	0.5
111.04430	2.8
113.02355	8.2
116.92799	0.7
119.03419	4.7
119.04942	1.5
121.02902	0.7
121.06486	1.3
122.03651	0.7
123.08085	0.8
125.02320	1.2
125.42609	0.4
129.01836	0.6
131.03465	0.5
133.02898	3.7
134.03668	0.9
135.03548	0.7
135.04468	6.6
136.04788	1.2
137.02379	1.3
139.07568	0.6
143.03452	1.7
145.02892	1.2
150.03162	1.8
152.01105	1.5
155.03577	0.9
159.02946	1.5
161.02405	7.8
161.04486	10.0
162.02722	2.5
163.02788	0.7
163.03989	1.5
163.11241	0.5
165.05571	2.1
165.06750	0.4
173.04564	2.4
175.03915	0.8
179.03474	5.5
179.05583	1.8
179.07074	0.8
180.03870	1.5
187.04417	0.4
187.07619	0.5
189.09135	1.1
191.05580	7.8
191.07156	0.8
191.10616	0.7
193.15973	0.9
194.05836	0.5
195.06573	1.3
201.03934	0.5
209.08224	0.6
211.07677	0.7
217.16057	0.5
218.04524	1.1
236.05672	1.2
257.19022	0.6
259.20694	0.7
265.08713	0.9
269.19321	1.4
275.16571	1.3
275.19980	0.4
277.21780	1.1
285.18811	0.7
287.20300	1.6
295.17050	0.6
303.19772	2.4
309.07278	0.5
313.17960	2.1
316.92838	0.4
319.19241	1.6
320.19324	0.5
321.20752	6.9
331.19186	11.3
332.19489	1.1
349.20255	62.4
350.20663	6.2
353.08838	1.2
367.21539	0.9
393.19330	1.0
397.14386	2.7
409.13254	0.5
410.11292	0.6
433.22580	0.9
493.24536	0.7
511.25549	58.1
512.25946	10.1
529.26721	2.8
553.19476	0.6
571.19806	40.1
572.20245	7.6
572.28107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85814	0.5
57.03326	1.1
58.00460	0.8
59.01265	15.6
61.98721	18.8
69.03341	0.5
71.01276	8.5
71.04895	0.7
72.99210	1.0
73.02835	1.1
75.00764	3.2
78.95805	1.3
79.01871	0.4
82.29882	0.4
83.01292	0.6
85.02848	6.5
87.00781	1.2
89.02342	6.0
93.03342	1.1
94.35128	0.5
95.01289	2.0
97.02856	3.1
97.06509	0.5
98.19788	1.5
99.00773	1.0
101.02349	3.9
103.03098	0.4
113.02353	10.3
119.03419	3.2
123.08071	0.9
127.07580	7.8
131.03429	0.6
135.04419	0.9
143.03423	0.6
145.06566	0.5
147.08055	1.0
159.11731	0.7
161.04506	2.6
161.09717	1.4
163.11249	2.3
173.04546	0.4
175.11241	1.0
179.03412	0.6
179.05577	1.9
183.79716	0.4
185.09668	0.6
187.07748	0.5
191.05608	1.5
191.07117	14.8
192.07552	0.6
201.09186	2.1
203.10754	1.9
203.14377	0.8
205.08694	10.9
206.09154	1.1
207.10222	0.5
219.10265	0.6
221.08214	1.7
229.08595	0.6
244.86343	0.5
248.10571	0.6
269.19080	0.7
285.18658	0.5
313.18201	4.0
329.21252	1.1
331.19238	100.0
332.19601	13.0
345.20895	1.5
347.18726	1.4
348.19144	1.3
349.20279	40.7
350.20721	4.6
355.19281	0.9
363.21729	1.3
373.20285	14.0
374.20621	2.4
385.19943	0.6
391.21313	7.5
392.21561	0.8
403.21298	1.1
421.22516	0.8
433.22195	0.6
451.22971	0.5
551.54401	0.5
571.24506	5.4
572.24463	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1967
Annotation	Mucronulatol-(4->5')-vestitol
Peak:m/z	Relative Intensity
54.18522	0.3
57.03336	0.8
59.01264	3.3
60.99197	2.2
67.01780	7.2
69.03351	1.8
71.01277	2.9
71.52448	0.4
73.02827	0.3
78.95798	81.2
78.99285	0.2
80.72263	0.2
81.03374	1.5
83.01255	0.3
83.04943	1.2
85.02832	1.4
87.00776	10.9
89.02348	0.5
93.03362	44.4
94.03675	1.4
96.96867	38.0
97.02856	0.5
99.00777	0.9
99.04430	0.6
101.02351	0.7
109.02885	0.5
110.14169	0.2
111.00785	0.9
111.04427	5.3
113.02385	0.6
115.00304	0.3
115.03882	0.5
119.04935	1.0
127.03881	0.5
129.01877	1.5
137.02290	0.3
141.01843	0.5
143.04964	1.4
145.02864	0.3
151.42555	0.3
154.74724	0.2
155.03471	1.8
161.04478	0.4
163.03949	0.6
165.03174	1.0
173.04517	11.8
174.04774	0.5
191.05591	7.8
192.05957	0.4
201.04033	2.4
211.07652	1.0
237.09138	0.4
243.05125	0.4
261.06204	4.1
262.06415	0.3
265.08734	0.8
274.00031	0.3
297.09048	5.9
298.09348	0.4
309.07751	0.9
327.08853	0.7
349.20258	0.4
379.13278	0.4
397.14328	15.1
398.14609	1.5
446.19846	0.3
469.97589	0.3
511.25519	0.8
553.18744	0.4
571.19653	100.0
572.20007	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13759	0.2
55.01767	0.3
59.01269	5.6
62.96270	0.4
69.03310	0.3
69.32351	1.3
69.32777	1.1
71.01264	2.9
72.99202	0.3
73.02815	0.6
75.00764	0.5
78.95795	100.0
83.01258	0.6
83.04916	0.5
85.02827	1.7
87.00774	0.7
89.02354	1.4
93.03368	2.9
94.03700	0.3
96.95920	0.4
96.96868	10.3
99.00797	0.4
101.02344	2.1
109.02862	1.1
111.04430	1.6
113.02361	0.8
119.03447	0.3
119.04943	0.7
121.06517	2.1
127.03913	0.3
129.01857	0.3
130.03577	0.2
137.02365	1.0
147.08009	0.2
149.57808	0.3
155.03473	1.5
161.04564	0.3
161.09619	1.4
163.03906	0.7
173.04520	3.5
174.04846	0.3
191.05530	1.5
209.62086	0.2
211.07658	0.4
214.13788	0.3
221.15482	1.0
266.12201	0.2
267.48129	0.2
287.20206	0.5
299.66422	0.3
331.19180	1.5
383.20657	0.3
397.14297	24.4
398.14676	3.2
449.25394	0.4
493.24539	19.0
494.24945	2.3
511.25623	2.3
512.25983	0.6
542.26727	0.3
553.18616	0.7
571.19623	32.5
572.19940	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	571.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04972	0.1
55.28061	0.1
57.03329	0.3
59.01264	1.7
61.98726	0.5
62.96292	0.2
67.01772	0.3
69.03340	0.3
71.01269	1.1
71.58990	0.2
72.99194	0.3
73.02826	0.3
74.37168	0.1
75.00760	0.1
78.95795	100.0
81.03352	0.3
83.01287	0.1
83.04922	0.6
85.02847	0.8
87.00775	1.8
89.02347	0.5
93.03359	2.0
94.03696	0.1
95.01284	0.2
96.95966	0.8
96.96866	9.5
97.02855	0.3
99.00786	0.3
99.04381	0.1
101.02335	0.3
108.02084	0.1
109.02859	0.5
111.00752	0.1
111.04441	1.5
113.02361	0.4
115.00259	0.5
117.03376	0.2
119.03516	0.1
119.04961	0.6
121.02878	0.3
122.03619	0.2
123.04441	0.2
127.03951	0.1
129.01863	0.4
131.07092	0.2
132.02147	0.1
133.02908	0.2
134.03653	1.1
135.04485	0.5
137.02411	0.5
145.02895	0.3
146.03680	0.7
147.04396	0.2
147.08110	0.3
149.02364	0.6
150.03174	1.0
155.03435	1.5
159.04402	0.2
160.01659	0.2
161.02380	0.4
161.04507	0.2
161.05988	0.3
163.03954	0.7
164.04744	0.6
165.05521	1.1
173.03085	0.2
173.04530	3.1
179.03522	0.2
179.05632	0.2
179.07069	1.0
183.02945	0.1
187.62479	0.1
191.05583	1.9
191.07152	0.2
192.06003	0.1
193.05002	0.8
194.05580	0.1
195.06619	0.8
201.04039	1.8
201.05879	0.1
202.04514	0.1
205.04668	0.1
209.08281	0.2
211.07611	0.2
213.05505	0.3
241.05096	1.2
256.07486	0.9
257.08133	0.2
258.33038	0.1
267.06659	0.2
271.09818	1.3
272.09967	0.2
281.08395	0.1
282.08960	0.1
313.10910	0.1
313.18039	0.3
325.10864	0.2
327.12344	0.2
331.19128	0.1
343.11945	0.6
344.12051	0.1
349.19968	0.3
369.09814	0.2
387.10861	1.0
388.10889	0.1
397.14285	15.1
398.09906	0.1
398.14630	1.8
457.13608	0.2
511.25534	0.7
545.54120	0.1
553.18756	0.3
571.19653	22.8
572.20001	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.2
59.01271	1.0
60.99184	0.2
61.46632	0.1
61.98696	0.1
62.96298	0.4
67.01778	0.6
69.03346	0.1
70.05808	0.4
71.01280	0.7
72.99195	0.1
78.95798	100.0
81.03380	0.2
81.82297	0.1
83.04916	0.3
85.02409	0.1
85.02822	0.5
87.00774	1.3
89.02340	0.3
93.03364	4.8
94.03685	0.1
96.95973	0.7
96.96867	11.7
98.20576	0.1
99.00813	0.1
101.02361	0.3
101.60470	0.1
104.87439	0.1
106.25732	0.1
109.02846	0.2
111.00813	0.1
111.04430	1.3
113.02354	0.1
116.07135	0.2
116.45850	0.1
119.04954	0.4
127.03946	0.2
129.01878	0.3
132.82959	0.1
133.02869	0.1
134.03642	0.2
135.04471	0.5
137.02377	0.3
145.02853	0.2
147.08101	0.4
155.03436	0.9
161.02423	0.4
162.02911	0.1
163.03938	0.3
164.26563	0.1
173.04524	2.0
174.04921	0.1
179.03433	0.2
187.06058	0.1
191.05595	3.7
192.05920	0.2
205.87021	0.1
209.08182	0.1
211.07672	0.3
231.04460	0.1
233.09402	0.2
250.06528	0.1
263.04010	0.1
265.08734	0.2
271.09924	0.1
284.94064	0.1
349.20361	0.2
397.14288	11.6
398.14563	1.2
511.25534	0.2
535.31372	0.3
553.18390	0.5
554.18939	0.1
571.19653	36.0
572.20026	6.7
572.27789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
60.80356	0.2
62.96299	0.6
67.01782	0.7
68.73944	0.2
69.49034	1.8
71.01277	0.4
78.95795	100.0
85.02856	0.3
87.00770	1.5
93.03356	5.4
93.59527	0.2
96.96864	12.3
99.44586	0.2
106.42801	0.2
111.04439	1.2
147.08046	0.3
155.03401	0.5
173.04494	1.9
174.04750	0.2
191.05606	1.1
191.94810	0.2
267.62375	0.2
349.20264	0.6
397.14258	2.5
416.98480	0.3
506.68069	0.3
511.25641	0.4
571.19617	39.0
572.19977	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91255	0.1
59.01256	0.7
60.99202	0.3
62.96294	0.5
67.01780	0.9
69.03355	0.3
71.01260	0.5
71.44024	0.3
72.63599	0.1
76.23685	0.2
78.95799	100.0
79.58068	0.2
81.03339	0.2
85.02857	0.4
87.00776	1.5
93.03362	5.9
96.23339	0.2
96.95872	0.5
96.96870	12.1
111.04416	1.3
116.16634	0.2
119.04949	0.4
129.01863	0.3
135.04454	0.4
136.06143	0.2
137.02336	0.4
139.71028	0.2
142.11429	0.2
147.04564	0.2
147.08078	0.4
147.92073	0.1
151.99915	0.2
155.03441	0.6
173.04527	2.1
191.05583	2.6
193.05072	0.2
206.09216	0.2
386.82678	0.2
397.14322	3.6
398.14560	0.4
535.31207	0.5
553.18835	0.3
571.19653	53.7
572.20001	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	571.1962
Annotation	Mucronulatol-(4->5')-vestitol
Peak:m/z	Relative Intensity
51.48302	0.1
56.66097	0.1
57.14206	0.1
59.01260	0.6
60.99201	0.4
62.96289	0.5
67.01788	1.4
69.03338	0.2
69.81500	0.9
71.01266	0.8
78.95797	100.0
81.03339	0.2
83.04911	0.2
85.02845	0.6
87.00765	2.1
89.02393	0.2
93.03360	7.7
94.03692	0.2
96.95881	0.3
96.96866	13.2
111.04420	1.5
113.02345	0.3
119.04935	0.2
129.01868	0.4
135.04456	0.2
137.02390	0.2
142.70145	0.2
147.08109	0.6
150.03085	0.2
155.03471	0.7
165.05505	0.2
165.19118	0.2
173.04538	2.1
173.48912	0.1
179.07083	0.3
191.05600	3.5
192.05911	0.2
203.88281	0.2
233.09578	0.3
386.16724	0.2
397.14276	3.3
398.14606	0.4
535.31372	1.3
553.18872	0.3
571.19647	50.9
572.19977	8.7
572.28290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03197	0.5
57.03358	1.3
59.01266	12.5
61.98724	3.6
67.01826	0.7
67.86554	0.5
68.99743	0.8
69.03381	1.6
69.29633	3.4
69.30064	2.0
71.01276	6.6
72.99239	1.5
73.02876	1.6
75.00765	17.7
75.75392	0.5
78.82346	0.4
78.95801	13.2
81.03384	0.8
83.01315	1.5
83.04931	0.9
85.02838	4.8
87.00780	14.5
88.98714	0.7
89.02348	3.8
93.03367	5.7
93.03816	0.5
95.01332	0.5
95.04953	0.7
96.95914	19.4
96.96928	1.5
97.02865	2.9
98.20603	1.2
99.00811	0.6
101.02385	2.2
108.02090	0.5
109.02895	1.9
111.00775	2.8
111.04465	2.1
113.02309	2.5
115.00319	1.1
117.03339	2.9
119.03461	1.7
119.04926	2.5
121.02883	2.5
123.04475	0.7
127.03957	0.7
129.00999	0.4
129.01868	9.6
132.02103	26.2
133.02910	3.8
134.03671	42.0
135.04507	5.8
137.02386	4.1
139.03960	1.5
141.01878	1.3
145.02934	1.0
147.04507	1.0
148.05209	0.8
149.06020	6.9
150.03209	0.8
151.03888	0.8
155.03406	1.0
160.01613	99.6
161.02277	6.7
161.04495	0.7
162.03004	0.8
163.04008	2.5
173.04523	4.2
173.05925	0.9
174.03322	0.9
175.03970	100.0
176.04393	6.3
177.01961	0.8
178.02670	6.5
179.03473	3.5
179.05560	1.0
183.02943	1.3
191.05565	10.6
191.07141	2.8
192.04309	0.8
192.05879	0.6
193.05035	38.4
194.05348	2.6
201.04010	6.4
202.02647	1.6
202.04413	0.6
203.06940	0.5
207.06525	1.3
211.07671	3.0
217.05067	9.9
218.05426	0.6
219.05063	0.8
226.55582	0.5
231.06529	0.5
233.08272	0.9
235.06113	5.3
237.09241	0.6
239.10863	0.7
247.06113	0.7
250.06303	1.9
252.97495	0.5
259.15744	0.5
265.06979	3.4
265.08850	2.9
299.01611	0.5
305.09927	0.6
307.08060	1.2
309.07776	0.8
319.08194	0.8
327.09030	0.5
331.18991	1.2
333.09988	2.3
349.20264	0.8
377.08859	6.5
391.28741	0.5
395.09933	22.0
396.10242	3.1
397.14050	1.4
483.12695	1.2
511.24796	2.2
533.29449	0.6
535.31683	4.0
571.14001	24.5
571.27112	5.1
572.14404	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	571.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	14.1
59.45601	0.4
61.98715	4.3
65.82037	0.4
66.45358	0.3
67.01802	0.5
69.03341	1.0
69.25029	4.9
69.79356	0.4
70.11631	0.3
71.01277	2.7
73.02830	0.6
75.00770	1.0
78.95805	2.1
81.03358	0.7
83.01304	1.3
83.04922	1.2
85.02824	1.9
87.00748	1.1
89.02332	1.7
93.03373	2.6
95.01287	0.5
95.04906	0.7
96.95898	1.3
96.96864	0.5
97.02858	1.7
98.19846	1.0
99.00764	0.8
101.02361	1.6
105.03403	0.9
107.04948	0.6
108.02049	0.7
109.02872	2.1
111.00775	2.4
111.04424	1.1
113.02361	1.0
115.03888	0.5
117.03369	1.3
119.03378	0.9
119.04784	0.4
121.02882	10.1
123.04466	1.0
131.04939	0.6
132.02086	2.5
133.02882	42.4
134.03609	3.7
135.04453	47.8
136.04791	2.4
137.02379	16.4
138.02789	0.5
139.03947	0.9
142.46577	0.4
145.02928	0.5
147.04489	0.5
149.02362	0.6
150.03188	0.4
151.00302	0.5
153.01837	0.6
158.30270	0.4
159.04459	3.3
160.01581	0.5
161.02393	100.0
162.02711	4.4
163.04001	0.8
165.01974	0.5
165.05539	0.6
173.04514	1.9
173.05946	0.7
175.03899	0.9
177.01997	0.4
177.05443	0.8
178.02675	1.1
179.03465	53.4
180.03784	2.8
183.02936	0.6
191.05609	4.1
191.07124	0.9
192.06004	0.6
201.03981	0.7
201.05626	0.6
203.03474	1.1
203.27699	0.4
205.08792	0.4
211.07655	0.9
215.07108	2.1
216.81764	0.4
221.04565	0.5
233.04684	0.4
239.07097	0.6
243.05142	1.4
257.08270	1.6
259.06195	0.7
271.02310	0.5
299.02130	0.6
300.02682	0.7
301.04028	0.4
301.07388	0.9
305.06723	0.4
330.17804	0.8
331.19150	5.0
332.19632	0.8
348.19046	1.0
349.20276	1.5
355.08417	1.0
373.20477	0.5
391.21436	0.8
395.11325	0.7
423.11191	1.3
433.22226	0.5
467.09787	2.2
485.10880	2.8
511.25446	0.5
527.12036	18.8
528.12238	3.2
571.18488	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73300	0.1
55.62936	0.1
59.01268	100.0
60.01604	1.1
60.95590	0.1
61.98726	0.5
65.37061	0.1
68.50341	0.1
70.04532	0.5
71.01273	0.9
73.02837	0.3
75.38629	0.1
75.60969	0.1
83.01272	0.2
85.02861	0.4
96.95872	0.1
98.97087	0.1
101.02384	0.5
113.02405	0.4
157.52794	0.2
157.78130	0.1
161.04568	0.5
163.10326	0.1
184.07182	0.1
191.05627	0.6
202.19063	0.2
449.29312	1.3
450.29785	0.3
467.30353	1.8
468.30310	0.3
509.31363	1.6
510.31808	0.3
569.33972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60688	0.2
51.62799	0.1
59.01266	100.0
60.01595	1.1
61.98716	1.6
71.01270	1.5
71.30090	0.4
72.99229	0.2
73.02850	1.0
81.03369	0.2
83.01276	0.3
83.04935	0.2
85.02835	0.3
89.02361	0.7
93.03370	0.2
96.95935	0.3
101.02338	1.0
105.80099	0.1
113.02329	0.9
119.03445	0.3
119.04978	0.2
125.02385	0.3
133.02914	0.6
133.29047	0.1
135.04477	0.4
143.03517	0.3
153.09212	0.2
161.02412	0.6
161.04578	0.5
173.04550	0.3
179.03467	0.3
179.05634	0.2
183.04355	0.2
191.05600	1.1
192.05975	0.2
465.29114	0.2
472.14081	0.3
483.30371	0.3
509.31387	0.4
569.33295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01608	1.0
61.98721	1.4
70.84279	0.4
71.01266	0.5
73.02847	0.3
73.52226	0.1
78.95822	0.1
79.01051	0.2
85.02876	0.5
88.45226	0.1
97.84790	0.1
101.02357	0.3
113.02387	0.2
119.05026	0.1
125.95119	0.1
135.04446	0.1
161.04529	0.1
179.05229	0.1
181.71263	0.1
191.05670	0.4
191.93527	0.1
204.30333	0.1
232.57253	0.1
250.66632	0.1
257.78873	0.1
329.17725	0.1
449.29431	0.2
467.30331	0.3
509.31827	0.3
535.62695	0.1
569.33246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01584	1.0
61.98717	5.1
70.00790	3.8
71.01265	2.0
71.88110	0.7
78.95781	1.8
84.27158	0.7
85.02834	6.5
85.03685	0.9
87.00762	2.4
90.44350	0.8
93.03365	5.5
96.95918	2.5
99.00774	0.9
99.04393	0.9
113.02361	1.2
119.73318	0.8
127.03920	1.6
133.02881	4.7
134.03577	1.0
135.04414	1.8
145.02852	1.4
161.02440	4.9
163.04027	1.3
173.04456	3.8
177.01860	1.9
179.03416	1.0
191.05582	79.5
229.01422	2.9
343.51672	0.8
449.29068	1.4
467.30252	1.5
490.57993	1.0
520.30066	1.0
570.26776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97571	0.3
59.01263	100.0
60.01611	1.2
61.98718	0.5
71.01279	2.9
71.58566	0.3
71.59016	0.3
72.99189	2.0
73.02831	1.9
75.00761	65.1
76.01099	0.9
78.95787	0.4
83.01258	0.7
85.02841	1.1
87.53159	0.2
89.02331	1.3
93.03334	0.8
96.95921	0.4
97.02814	0.5
101.02335	2.2
109.06475	0.3
113.02311	1.5
119.03379	0.4
119.04919	0.5
133.02832	0.8
135.04398	0.6
143.03351	0.4
143.95915	0.2
161.02319	1.0
161.04526	0.6
163.03877	0.5
173.04422	0.5
179.03445	0.3
179.05446	0.3
189.12822	0.4
191.05573	1.6
192.05786	0.5
195.06615	0.3
205.04677	0.2
299.16321	0.5
311.16595	0.3
313.18027	0.5
329.17593	2.9
330.17697	0.4
331.19131	1.6
347.18695	3.1
348.18777	0.4
404.82663	0.3
449.28589	0.5
467.29657	0.5
472.13455	0.3
504.27563	0.2
509.30750	0.6
509.38596	0.3
569.22028	0.3
569.32648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3013
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
59.01267	0.7
63.96117	1.0
68.55128	0.2
69.03336	0.8
70.44765	0.7
71.01266	7.4
73.02841	1.5
75.71228	0.3
78.98479	5.8
79.95622	9.4
80.96409	67.8
81.03348	0.6
85.02848	2.7
87.00779	2.5
91.03896	0.4
94.97982	16.1
95.01267	0.5
96.95915	1.2
97.02844	1.3
99.00793	0.5
99.04384	0.3
101.02329	2.7
106.97972	2.9
118.33292	0.3
122.97484	2.9
125.02372	2.6
125.62183	0.4
127.03932	0.9
134.97491	5.3
136.99098	1.7
146.97455	0.4
148.99091	6.6
149.11458	0.3
150.97014	0.3
152.98576	5.3
164.98582	13.2
165.98837	0.4
167.00078	0.6
206.99667	2.2
225.00751	18.4
226.01096	0.6
229.06763	0.3
269.24918	2.6
299.04453	4.2
569.30121	100.0
570.30438	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.9
59.01266	100.0
60.01589	1.6
61.98724	1.8
69.37106	8.3
71.01270	11.0
73.02831	2.8
78.95796	13.2
83.01290	1.8
85.02834	5.5
87.00795	1.2
89.02343	6.9
93.03342	0.9
96.96880	2.3
98.19799	1.4
99.00793	1.3
101.02345	7.0
113.02366	6.4
119.03443	2.1
119.04954	1.5
133.02917	1.5
135.04456	1.2
138.97963	1.3
143.03481	1.0
152.99548	2.9
161.02356	2.9
161.04517	2.9
163.03822	1.0
166.96176	0.9
173.04492	1.0
179.03513	1.3
179.05464	0.8
191.05615	1.9
195.06514	0.9
217.02390	1.0
241.01093	1.5
259.50906	0.9
264.19009	0.8
363.03867	0.9
404.99838	0.9
465.28812	8.0
466.28793	1.3
483.29898	3.2
506.71243	0.9
525.30743	1.4
563.92542	0.9
569.22589	1.1
569.31232	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	569.2981
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
57.03344	6.6
58.00458	0.5
59.01266	66.9
60.01622	0.7
61.98718	3.9
63.19269	0.5
67.01775	0.6
68.99709	1.7
69.03345	5.9
71.01272	14.2
71.04913	2.2
71.56783	0.6
72.99200	4.8
73.02843	2.3
74.11154	0.5
74.52158	0.5
75.00765	14.8
78.95793	1.2
81.03371	1.1
83.01307	1.0
85.02842	15.7
85.06507	0.5
87.00771	5.6
89.02349	3.5
90.38597	0.5
93.03382	1.7
95.01283	3.4
96.95912	2.5
97.02870	0.6
99.00787	8.6
99.04420	1.4
101.02361	1.5
101.12370	0.5
102.88765	0.6
103.00285	1.0
107.04909	0.5
109.02892	0.9
111.00824	0.5
111.04407	0.6
113.02359	17.5
115.00299	1.3
116.92757	1.0
117.01862	2.0
124.04038	0.5
126.11662	0.5
129.01840	1.2
130.99803	0.6
131.03476	0.5
133.02896	1.3
135.04469	1.2
143.10687	2.5
145.02939	0.5
155.03365	0.6
161.02377	2.3
167.10651	0.6
173.04518	1.5
175.02495	2.3
188.89920	0.6
191.05591	5.7
231.05157	2.2
249.06189	16.0
250.06543	0.9
267.07190	3.0
275.23941	0.6
308.97119	0.5
319.22855	27.9
320.23267	3.2
383.13611	0.5
429.10864	0.6
509.27469	0.8
551.28998	2.9
569.29803	100.0
570.30109	20.2
570.38995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53212	0.1
59.01266	4.3
71.01281	1.0
72.99201	2.3
73.02862	0.2
75.00765	100.0
76.01105	1.1
81.00845	0.2
81.36946	0.2
85.02862	0.7
87.81020	0.2
89.02347	0.6
95.01288	0.2
97.02850	1.1
101.02351	0.4
109.02853	0.2
109.06514	0.3
111.49692	0.1
113.02371	0.6
117.03422	0.2
119.03430	0.6
121.91171	0.2
123.08063	0.4
127.07581	0.3
145.02905	0.5
158.15623	0.2
161.04584	0.2
163.03986	0.3
163.11200	0.2
175.84923	0.1
179.05614	0.2
189.09200	0.3
189.12819	0.6
191.07201	0.3
205.08690	0.6
205.12398	0.3
207.21582	0.1
255.17520	0.3
267.17599	0.5
299.16602	0.9
300.16806	0.2
311.16534	0.5
313.18057	1.2
317.17603	0.3
320.44601	0.2
329.17667	5.5
330.18100	0.5
331.19199	1.9
332.19623	0.3
347.18695	5.4
348.19247	0.6
371.18765	0.3
389.19910	0.3
392.17123	0.2
422.82111	0.2
569.26221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10907	0.4
57.03329	0.8
58.00480	0.6
59.01266	24.4
60.13622	0.3
61.98722	1.7
65.03839	1.1
71.01272	4.9
71.04904	0.6
71.60498	0.5
72.99212	0.8
73.02831	1.2
74.99014	0.4
75.00742	0.4
75.29578	0.4
81.03349	1.1
83.04919	0.5
85.02837	1.9
86.12411	0.3
87.00774	1.3
89.02348	3.8
93.03352	2.1
96.95921	1.4
97.02865	1.5
97.06473	0.9
99.00768	0.6
101.02370	2.1
108.02050	0.4
109.02865	11.7
110.03738	0.5
111.00691	0.5
111.04446	1.9
113.02354	2.2
117.03357	0.6
119.03455	1.8
119.04938	2.7
120.05173	0.4
121.02879	0.5
122.12810	0.4
123.08067	1.4
125.02372	0.4
125.09718	0.4
129.01872	0.4
133.02861	1.0
134.03665	1.4
135.04442	2.8
136.01581	0.5
137.02419	1.1
137.06023	1.2
145.02861	1.5
147.03123	0.3
147.96820	0.4
149.04565	0.4
149.06050	0.8
151.03999	0.4
152.07100	0.9
153.01884	0.5
155.03430	0.7
160.01585	0.4
161.02388	1.2
161.04492	1.0
163.03932	1.4
170.73964	0.3
173.04495	2.0
173.05954	0.5
175.03947	0.4
177.12823	0.4
178.02640	0.4
179.03453	0.9
179.05566	1.0
181.05077	1.9
191.05589	4.9
191.07182	0.7
191.14301	0.8
193.05063	1.2
193.15947	1.6
205.08675	0.5
205.12250	0.5
219.13809	0.6
225.11305	0.6
226.90959	0.4
259.20615	0.9
273.18411	0.3
275.20239	1.3
276.45898	0.4
285.18787	0.4
303.19717	37.9
304.20078	3.8
311.16699	0.4
329.17657	8.3
330.18021	0.9
342.11731	0.6
343.19278	1.4
347.18713	100.0
348.19061	12.3
348.22321	0.3
361.20282	0.5
371.18683	0.9
389.19727	3.3
390.20181	0.5
395.07703	0.4
405.97488	0.4
480.20694	0.4
509.24161	1.2
523.34894	0.4
525.24786	0.7
569.22955	4.2
570.23175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
57.97391	0.9
58.00490	1.0
59.01267	15.3
61.98721	3.4
69.03358	0.9
69.88895	2.2
69.89326	2.7
71.01276	8.4
71.04922	11.1
72.99218	0.9
73.02841	1.9
75.00753	4.8
78.95797	0.9
83.01301	0.7
85.02843	3.8
87.00784	2.1
89.02343	6.0
93.03371	4.5
93.35253	0.7
97.02848	9.2
97.06470	0.9
98.20538	0.9
99.00777	1.0
99.08381	0.7
101.02378	4.4
108.02068	1.0
109.02869	3.2
111.04436	2.0
113.02364	6.0
119.03416	2.6
119.04944	1.4
123.08082	30.3
124.08418	1.4
127.07580	2.6
133.02902	1.1
133.10143	1.4
134.03662	1.8
135.04482	1.9
145.02904	1.1
147.08055	0.9
149.06046	1.0
152.01056	1.0
161.02377	1.9
161.04591	0.9
161.09676	2.3
163.03938	1.9
165.05533	1.6
173.04504	2.6
175.07652	1.8
177.01923	0.9
178.02501	0.9
179.03482	1.9
179.05615	1.8
179.10896	0.8
189.09221	8.5
191.05577	6.3
191.07143	12.8
191.14476	0.9
192.07516	0.9
193.05055	1.6
194.05614	0.8
195.06633	1.3
197.11740	0.7
201.12918	1.1
205.08713	12.5
206.09169	1.0
207.06689	0.9
211.07664	1.4
219.13925	1.6
221.08253	2.5
231.13905	1.7
245.11852	2.9
259.13580	1.6
261.15012	1.2
263.13028	2.9
285.18594	1.3
287.12961	3.4
303.19757	2.5
327.19730	2.3
329.17654	100.0
330.17984	11.7
343.19028	1.4
347.18707	48.9
348.19034	4.8
361.20313	3.5
371.18719	19.9
372.19028	3.1
383.18945	1.1
389.19855	12.6
390.20227	2.1
401.19473	0.8
419.21045	0.9
457.24509	6.8
458.24448	0.8
475.25589	2.7
533.30048	1.4
569.27954	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03107	0.4
55.25465	0.4
57.03325	1.2
59.01267	21.1
61.98718	0.5
64.66907	0.4
69.41253	2.9
70.25961	0.4
71.01273	4.8
71.04904	0.9
75.00762	1.7
76.71136	0.4
77.48940	0.4
83.01286	0.6
83.04913	0.8
85.02844	4.5
88.98676	0.6
89.02337	2.5
92.20489	0.4
94.49382	0.4
95.01272	1.8
95.04916	1.2
97.02856	0.6
97.06467	0.5
101.02342	2.0
108.02083	0.7
109.02882	0.8
111.04471	0.4
113.02357	6.0
119.03394	1.0
119.04921	0.8
121.06516	1.4
123.08058	3.0
133.02870	1.2
134.07298	1.4
135.04451	1.8
135.08087	1.2
145.02989	0.6
145.10097	0.8
147.08102	0.5
151.45317	0.4
159.11728	0.8
161.02393	2.0
161.04497	1.5
161.09746	0.7
163.11235	0.8
173.04463	0.5
175.11249	0.5
179.03432	1.2
179.05576	0.8
179.14232	0.4
184.10652	0.6
189.12798	0.6
191.05611	2.6
193.12317	0.6
200.12012	0.5
201.09369	0.6
201.12808	2.8
202.13432	0.5
205.12350	0.6
215.14424	1.4
217.15970	27.5
218.16321	2.1
241.19531	0.5
243.17569	0.6
257.19113	0.6
259.13406	6.0
259.20709	3.6
260.13849	0.6
261.14987	1.2
283.20715	3.3
285.18646	1.8
299.20328	0.9
302.77701	0.5
303.19717	24.4
304.20001	2.4
327.19696	5.7
328.20148	0.6
329.17682	5.4
330.18164	0.5
347.18701	100.0
348.19077	10.7
357.20865	0.9
361.20279	5.1
362.20602	0.8
371.18710	34.9
372.19089	4.0
383.18683	0.5
389.19775	16.6
390.20132	1.4
401.19809	1.9
402.19473	0.5
419.20721	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.0
57.05619	0.9
59.01268	18.3
61.98728	1.6
67.01769	1.1
69.03345	1.3
69.11340	0.9
69.33780	8.8
69.34203	1.9
70.36652	0.9
71.01269	7.9
71.04910	10.2
72.99198	2.0
73.02837	2.4
75.00770	2.8
78.95795	2.4
85.02849	3.5
87.00803	2.9
88.98747	1.4
89.02329	5.5
93.03360	4.3
96.95913	10.3
97.02869	8.8
98.19836	1.9
100.37173	1.1
101.02364	4.4
108.02089	1.0
109.02866	3.3
111.04421	2.0
113.02380	5.9
115.03963	1.3
117.03375	1.0
119.03408	1.9
119.04932	3.3
121.02885	1.6
121.06416	1.3
123.04427	1.0
123.08092	31.2
124.08372	0.9
127.07564	2.1
133.02902	1.5
134.03664	4.6
135.04440	3.7
137.02385	1.6
145.02901	2.2
149.06010	1.2
151.03909	1.3
159.04436	1.0
160.01593	3.0
161.02396	3.1
161.04434	2.0
161.09689	2.2
163.03978	2.3
173.04497	3.5
175.03960	3.8
175.07657	1.3
177.01953	1.4
177.09167	0.9
178.02679	1.4
179.03419	2.8
179.05600	1.1
181.05025	1.2
187.07622	1.3
189.09166	6.0
191.05557	8.8
191.07129	12.4
193.05051	4.5
195.06651	6.5
205.08723	10.5
217.15977	1.4
219.13829	1.3
221.08119	1.2
230.08891	1.1
245.11887	1.7
263.13004	2.3
285.18729	2.8
287.12881	3.3
303.19748	2.6
327.19830	2.5
327.71036	1.1
329.17651	100.0
330.17999	13.6
343.19263	2.8
347.14526	2.0
347.18732	40.1
348.19009	4.6
361.20264	3.8
365.19632	1.9
370.70874	1.1
371.18729	20.8
372.19113	3.0
383.18768	1.8
389.19830	16.5
401.19800	1.9
419.20923	1.5
509.23969	1.8
523.34808	3.0
569.25256	2.1
570.20862	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67618	0.4
57.03318	0.7
59.01268	14.5
61.36816	0.5
61.98719	45.0
67.01754	0.8
69.03336	0.6
71.00962	0.5
71.01273	5.7
71.59135	0.5
72.99200	26.3
73.02818	1.2
73.99545	0.4
75.00756	2.0
77.03212	0.4
78.95791	1.4
81.03347	0.6
82.95313	1.1
83.01276	0.6
85.02840	2.3
87.00783	2.9
89.02333	2.5
91.88292	0.5
93.03374	3.2
95.04907	1.7
96.95898	1.6
97.02878	0.6
99.00789	0.7
100.90533	0.5
101.02328	2.2
107.04929	0.6
108.02082	10.2
109.02871	1.1
111.00778	1.1
111.04436	1.0
113.02359	1.8
115.42981	0.5
117.03374	2.5
119.05003	2.5
121.02850	1.9
122.03694	3.4
122.78212	0.5
123.04443	10.8
124.04824	0.7
125.02355	0.8
129.01872	2.7
132.02055	1.5
133.02863	2.2
134.03670	56.6
135.04366	4.1
136.01627	0.8
137.02362	4.2
137.06044	0.5
139.03928	2.2
140.04214	0.7
145.02895	1.3
147.04430	1.9
148.04906	0.6
149.02354	1.5
149.04852	1.0
149.06029	11.2
150.03178	15.5
150.06322	0.8
151.03810	1.6
153.31841	0.5
160.01614	4.7
161.02422	2.8
161.04510	1.5
163.03967	1.9
165.05533	18.3
166.05858	0.9
167.07172	0.7
173.04507	2.2
175.03964	5.6
177.01843	0.7
177.05548	1.3
178.02692	10.0
179.03392	2.3
187.07661	0.8
191.05598	5.4
192.04276	0.5
193.05043	59.0
194.05373	4.7
195.08101	2.9
197.04472	0.7
199.03999	0.6
210.06851	2.5
210.41702	0.5
211.06102	100.0
212.06387	5.8
213.14929	1.1
214.06313	1.0
215.07043	1.5
225.09265	2.6
226.09540	1.7
227.09877	0.7
229.08653	0.6
235.07776	0.6
257.08060	0.7
275.09241	0.6
283.02875	0.6
329.18042	1.0
343.10764	0.6
373.07498	0.9
373.11523	1.5
385.53091	0.5
389.16071	0.9
473.78238	0.5
509.13947	1.8
509.29840	0.7
539.29785	3.7
539.80121	1.5
569.26257	74.1
570.26617	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48043	0.4
52.59848	0.4
57.03332	0.5
59.01267	15.6
61.98714	2.8
63.81217	0.3
67.01853	0.3
67.90817	0.3
69.03342	0.6
71.01277	10.3
71.60708	0.7
72.99201	5.4
73.02836	3.2
74.99001	0.4
75.00745	0.4
83.01309	0.8
85.02857	3.8
87.00777	2.3
89.02341	9.0
89.03872	1.4
93.03375	2.5
94.76321	0.5
95.01292	1.0
96.95925	0.8
97.02885	0.9
99.00782	3.9
101.02339	5.7
103.76958	0.4
104.48199	0.3
106.04154	0.3
107.04903	0.3
108.02074	0.6
109.02863	1.3
111.04469	0.6
113.02367	3.9
117.03376	6.8
119.03435	1.1
119.04948	2.2
121.02860	0.7
121.32540	0.3
123.04470	1.0
125.02377	1.3
127.07588	0.6
127.80005	0.4
129.01862	2.7
131.03441	1.4
132.02109	15.7
132.03114	0.8
133.02977	1.9
134.03668	70.7
135.03935	2.2
136.01593	0.7
137.02397	1.4
139.03946	0.7
145.02878	1.4
146.03595	0.6
147.04535	0.5
149.02396	1.0
149.04524	2.5
149.06023	9.4
150.06364	0.5
151.03964	1.1
152.01105	0.4
153.05540	0.5
155.03470	0.5
160.01611	66.4
161.02103	3.8
163.03915	1.8
173.04564	2.6
175.03967	100.0
176.04303	6.1
177.01880	3.2
178.02722	1.6
179.03474	1.7
179.05609	0.7
187.07610	0.6
191.05597	4.9
191.07166	0.6
192.05815	0.6
193.05043	87.8
194.05429	4.6
195.06531	0.5
195.08124	2.9
204.63805	0.4
211.07750	0.5
217.16035	0.4
226.86046	0.4
227.07082	0.5
233.06612	0.4
239.81671	0.3
245.04407	0.4
255.03036	0.5
265.05130	0.3
267.07132	0.5
267.41553	0.3
275.24673	0.4
311.11206	0.6
313.05658	0.4
327.19937	0.5
329.17593	1.2
347.18793	2.8
348.18839	0.4
361.20599	0.5
371.18735	1.6
373.07742	0.8
375.16351	0.4
389.19885	1.1
393.17749	3.3
448.26102	0.3
495.26492	0.4
569.22479	39.4
570.22900	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	569.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	5.9
61.98724	2.2
69.03387	0.1
69.32258	0.2
69.32596	1.8
71.01273	3.1
72.99210	0.4
73.02850	0.9
75.00798	0.3
78.95795	0.3
80.15740	0.2
82.95316	0.2
83.01266	0.2
85.02870	0.7
87.00790	0.8
89.02341	3.1
89.03841	1.2
93.03352	0.9
96.95926	0.6
96.99439	0.2
97.02872	0.2
97.06513	0.2
98.19703	0.3
99.00781	1.1
99.04426	0.2
101.02335	1.2
106.04141	0.4
108.02076	0.3
109.02863	0.2
111.04417	0.3
113.02365	0.7
117.03380	4.3
118.03697	0.3
119.03442	0.4
119.04942	0.5
121.02859	0.3
123.04445	0.3
125.02364	0.2
129.01820	0.2
131.03418	0.4
132.02109	3.1
133.02863	0.5
134.03668	75.7
135.03943	3.0
136.01610	1.2
137.02368	0.7
139.03981	0.4
145.02911	0.8
147.04501	0.8
149.06027	9.3
150.06361	0.6
151.00391	0.2
151.03963	1.9
152.01134	0.3
152.99585	0.1
153.01904	0.3
160.01611	12.2
161.02364	1.1
161.04468	0.2
163.03963	0.4
173.04510	0.7
175.03964	12.7
176.04308	0.6
177.05525	1.0
178.02641	0.6
179.03461	0.6
186.06758	0.2
187.07693	0.3
191.05595	1.6
193.05040	100.0
194.05376	5.6
195.08168	0.3
210.06827	0.3
215.07176	0.2
227.07158	0.3
268.81024	0.2
329.17676	0.3
331.08487	0.3
347.18622	0.8
393.17484	0.2
394.13351	0.2
433.70111	0.2
509.13547	0.3
569.22266	6.9
570.22449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05351	0.3
57.03330	0.6
59.01263	7.3
61.98709	0.6
65.46247	0.3
66.66100	0.3
69.03344	0.6
71.01273	1.6
71.04924	0.3
71.55628	0.6
73.02812	0.7
75.00789	0.4
78.95792	0.7
81.03352	0.5
83.01278	0.8
84.12212	0.3
85.02847	1.4
87.00767	1.0
89.03857	0.7
93.03342	2.8
95.01272	0.5
95.04909	0.5
96.95918	0.5
97.02857	1.3
99.00797	0.3
99.04375	0.3
101.02381	0.6
104.02609	0.4
105.03348	1.3
107.04940	0.7
108.02129	0.5
109.02853	2.7
111.00760	1.7
111.04438	0.9
113.02341	0.5
115.01812	0.6
117.03387	2.6
119.04948	14.0
120.05331	0.4
121.02827	1.4
123.04455	0.6
123.08089	0.7
127.03939	0.5
129.01859	1.9
132.02106	3.0
132.05771	0.5
133.02879	48.7
133.06499	1.7
134.03748	3.7
135.04446	46.2
136.04755	1.9
137.02417	2.2
138.87213	0.3
139.03923	0.9
145.02888	8.0
146.03273	0.4
147.04503	0.5
149.02390	0.5
151.00323	0.9
159.03096	0.3
159.04446	1.1
161.02385	100.0
161.05936	2.8
162.02716	4.3
163.03949	12.7
163.05338	0.4
164.04288	0.7
173.04489	1.9
173.05862	0.3
177.01877	0.8
178.02657	1.1
179.03455	44.8
180.03818	2.4
183.02971	0.7
191.05602	5.2
191.07187	0.4
192.05952	0.3
201.05495	0.7
203.03537	0.6
205.05038	2.4
215.07138	2.5
217.04967	0.4
227.06990	0.4
227.58487	0.3
229.01427	0.7
229.05096	0.3
231.06670	0.4
233.04628	0.4
235.06105	0.7
239.07150	2.0
243.02892	0.4
243.05095	0.4
255.03027	0.6
257.04382	0.6
257.08139	1.6
259.06171	1.0
261.71497	0.3
267.06863	0.5
271.02524	1.2
283.06168	0.3
285.07684	0.7
295.06033	0.4
299.02216	0.5
300.02936	1.6
301.03491	1.0
301.07254	1.1
303.08936	0.6
319.08163	0.6
329.06699	2.4
329.17563	1.8
335.07745	0.3
339.05170	1.2
347.07693	1.2
347.18622	1.2
353.08575	0.6
363.07126	0.4
371.18661	0.4
379.07532	0.5
397.09677	0.7
407.09930	1.0
423.09369	5.9
424.09723	0.6
431.65399	0.4
437.12527	1.0
463.08984	1.2
465.12051	1.8
466.12277	0.4
488.09430	0.5
488.15915	0.7
488.81119	0.4
509.11044	2.1
513.10468	0.7
546.29578	0.4
569.13116	41.7
570.13318	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.2
56.96823	0.1
57.03330	0.2
59.01265	4.1
60.53696	0.1
62.19801	0.1
65.03845	0.1
69.03349	0.4
69.36578	0.1
69.61504	0.9
71.01262	0.2
74.35715	0.1
77.03867	0.2
78.95780	1.0
81.03346	0.3
83.01258	0.7
83.04929	0.1
85.02850	0.3
87.00761	0.5
89.03869	0.3
91.05418	0.2
93.03362	1.3
94.03641	0.1
95.01298	0.4
95.04923	0.4
96.95882	0.2
96.96867	0.6
97.02843	0.6
99.00765	0.1
104.02610	0.3
105.03355	1.1
106.04140	0.2
107.04977	0.7
108.02055	0.2
109.02859	2.2
111.00779	1.2
111.04448	0.7
115.01812	0.3
117.03384	2.6
119.04943	13.7
120.05274	0.6
121.02857	1.3
122.03678	0.2
123.04438	0.5
129.01846	1.8
131.04997	0.1
132.02097	2.9
132.05695	0.4
133.02881	44.7
133.06480	1.4
134.03748	3.0
135.04446	43.9
136.04778	1.9
137.02376	2.0
139.03941	1.0
143.04967	0.3
145.02885	8.0
145.06523	0.1
146.03326	0.4
147.04401	0.2
149.02350	0.2
150.03119	0.3
158.03587	0.2
159.04456	1.8
159.16556	0.1
160.01578	0.4
160.04916	0.1
161.02386	100.0
161.05940	2.6
162.02740	4.5
162.06335	0.1
163.03949	13.5
164.04309	0.6
165.01901	0.3
169.06599	0.1
172.05167	0.1
173.06007	0.4
174.03159	0.1
175.03954	0.3
177.01901	0.2
177.05527	1.8
178.02687	1.4
179.03453	42.6
180.03812	1.9
181.06548	0.1
183.02979	0.5
185.06068	0.2
187.03967	0.3
187.07671	0.4
191.05688	0.2
197.06046	0.4
201.02074	0.2
201.03995	0.3
201.05646	0.7
203.03497	1.4
205.05038	2.2
211.07481	0.2
213.05551	0.4
215.03595	0.1
215.07117	2.6
216.07593	0.2
217.05016	0.2
221.04501	0.3
225.05493	0.2
227.07040	0.1
229.05040	0.2
229.08714	0.2
229.42896	0.1
231.06648	0.2
233.04596	0.3
233.09535	1.1
235.06152	0.3
239.07169	1.6
240.07401	0.2
243.05139	0.4
255.06531	0.3
257.04669	0.4
257.08243	1.8
258.08408	0.1
259.06161	1.0
273.07785	0.3
275.09064	0.1
283.06024	0.2
285.07785	0.3
291.05212	0.3
301.07224	0.8
303.08951	0.4
319.08301	0.7
329.06693	2.1
347.07764	0.6
363.07330	0.3
365.08994	0.3
397.09360	0.5
407.09885	1.1
421.09052	0.2
423.09390	5.2
424.09741	0.5
437.12595	0.7
437.17496	0.1
438.12872	0.2
465.11929	1.9
466.12363	0.2
509.11050	2.3
510.11646	0.3
525.14136	0.4
527.12067	0.2
569.13110	38.8
570.13464	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	568.363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	22.1
61.98716	0.5
70.18285	1.7
70.73452	0.3
78.95797	19.6
93.03352	0.7
96.95913	1.2
112.26094	0.4
124.01588	0.5
137.80139	0.4
152.99532	4.0
168.04263	2.8
191.05568	0.5
224.06927	7.6
224.28697	0.3
242.08003	1.6
255.23354	2.7
269.24915	100.0
270.25217	9.0
324.80975	0.4
331.19299	0.9
347.71005	0.5
355.11249	0.4
481.11423	0.5
483.27411	1.0
494.32645	73.7
495.32971	10.6
530.17523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94162	0.4
59.01264	1.1
61.98719	0.9
68.99702	3.2
69.03337	0.5
71.01260	0.6
78.95796	0.7
80.02566	6.7
80.96394	1.1
89.78291	0.4
93.03362	1.3
96.95918	1.1
107.04951	0.7
109.06475	1.2
121.02916	0.5
121.06509	1.2
123.08076	4.2
124.01591	59.9
125.01915	1.7
135.08095	0.6
147.08090	0.8
149.09697	3.8
151.00273	0.6
152.01144	0.5
152.99545	1.0
153.01691	0.5
163.11214	0.9
165.09166	1.3
175.11217	1.5
177.07629	1.0
177.09184	18.6
178.09550	1.0
191.05600	2.6
204.78210	0.5
233.15367	0.6
237.18599	2.1
255.23273	1.2
257.19153	13.2
258.19510	1.4
267.17630	2.0
285.18643	13.5
286.18915	1.1
299.16486	1.9
302.88681	0.5
329.17664	100.0
330.14441	0.8
330.18063	9.7
369.09729	0.7
388.92514	0.6
552.90881	0.6
567.36975	2.3
568.37604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33545	0.4
51.48767	0.4
55.01529	0.4
55.01773	2.2
57.03341	2.5
58.00479	0.8
59.01266	82.2
60.01604	0.9
61.98725	5.5
67.01768	0.6
69.03359	1.0
71.01270	27.0
71.18464	0.9
72.99209	1.7
73.02835	9.0
75.00753	0.6
83.01279	4.5
85.02849	14.1
86.00008	0.5
87.00777	3.3
89.02336	5.7
93.03354	2.8
95.01276	2.6
95.04919	4.0
96.95919	1.5
97.02882	1.2
98.00005	1.6
99.00805	4.7
101.02349	21.7
103.53432	0.4
109.02931	0.7
111.00780	3.0
111.04463	1.2
113.02361	10.7
116.92831	0.7
117.03416	1.2
119.03442	1.9
119.04942	1.0
121.02876	1.1
123.04381	0.5
125.02397	1.4
129.01906	1.1
133.02919	1.1
134.03673	9.0
135.04315	0.6
137.02420	1.1
139.03957	5.4
140.04271	0.5
141.01784	0.7
143.03413	0.9
145.02921	1.0
147.04462	1.9
149.06056	1.1
159.01822	0.4
159.02937	2.3
159.04347	0.9
160.01570	0.5
161.02470	0.7
161.04517	8.5
161.05835	0.7
163.04016	0.9
165.01949	0.5
171.13858	0.7
173.04582	1.2
173.06023	0.5
175.04015	1.3
178.02750	0.5
179.03391	0.4
183.03015	1.1
187.03996	0.5
187.07654	0.6
191.05591	2.3
192.05960	0.4
193.05057	8.3
193.06624	0.6
194.05379	0.5
195.06660	0.6
195.08266	0.6
210.06860	5.0
211.07312	0.9
214.06429	0.9
215.06956	0.5
221.06102	1.6
222.06880	6.5
223.07582	3.1
224.07993	0.7
225.09181	5.0
226.09607	0.6
227.06776	0.5
233.04372	0.5
234.06941	0.5
235.07648	4.3
236.08434	4.9
237.09236	4.8
238.09987	8.4
243.05319	0.6
251.10869	1.1
263.07211	3.4
264.07913	5.3
265.08597	0.5
266.05853	0.7
271.84473	0.4
274.08673	0.5
279.10297	3.1
281.03140	1.2
281.08508	0.5
297.11353	8.1
297.14490	0.7
298.11737	1.0
299.25952	1.1
323.09238	5.2
324.09894	0.7
341.10397	7.1
342.10950	1.1
345.17175	0.6
345.30191	7.4
346.30420	1.1
389.16504	0.6
507.13293	11.4
507.35471	100.0
508.13449	2.4
508.35818	14.7
531.28204	1.3
567.15216	2.4
567.24567	0.8
567.34216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.1
56.66581	0.8
57.03329	2.9
59.01268	78.4
60.01583	1.2
61.98704	3.9
66.08414	1.0
67.01828	0.9
69.03334	1.9
71.01270	27.6
71.24422	0.9
72.99207	2.2
73.02837	12.9
75.00771	1.0
78.95799	2.0
83.01276	7.4
85.02856	14.9
87.00780	6.4
89.02361	4.8
89.03862	0.9
93.03358	2.6
95.01270	2.1
95.04916	1.1
97.02847	1.9
99.00777	4.7
101.02354	19.1
111.00793	3.8
113.02365	10.7
117.03379	1.9
119.03374	1.1
119.04950	1.1
121.02911	1.2
132.02112	19.9
133.02863	1.2
134.03676	27.9
137.02322	1.7
139.03935	1.2
145.02831	1.6
147.04480	10.4
149.06052	7.0
151.07594	1.1
158.03703	4.3
159.02908	1.5
160.01611	67.0
161.02008	3.2
161.04538	4.9
173.06026	3.5
175.03967	67.5
176.04292	4.7
177.01970	1.3
178.02657	5.8
179.03302	1.1
191.05646	2.2
191.07133	1.1
193.05040	37.6
194.05357	2.5
201.04076	1.7
215.07097	1.1
217.05020	3.4
236.35110	1.0
247.06229	1.1
275.23944	1.6
349.09512	1.6
354.29440	1.0
437.28928	2.3
461.25867	2.0
463.13733	2.5
463.27509	4.5
471.24280	4.2
471.74359	2.2
472.24365	1.7
481.28046	6.6
507.12958	3.1
523.29254	100.0
524.29626	19.6
567.15155	10.2
567.28967	1.6
568.15222	1.9
591.33154	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	567.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.1
57.03341	1.8
58.00483	0.6
59.01270	15.0
61.98704	1.2
68.99674	0.4
69.03345	0.9
71.01274	26.4
71.62772	0.5
71.63144	0.4
72.01607	0.4
72.99198	0.9
73.02444	0.7
73.02840	12.3
75.00751	1.2
78.95801	2.1
81.03309	0.4
83.01285	4.9
85.02843	13.1
87.00779	1.7
89.02345	7.4
90.05879	0.3
92.03886	0.3
93.03357	1.2
95.01270	2.0
96.95867	0.5
96.96886	1.7
97.02857	1.5
99.00781	6.0
101.02353	22.3
102.02636	0.4
102.98524	0.4
108.02064	0.4
109.02893	0.3
111.00773	0.8
113.02357	11.1
114.02695	0.4
115.03883	0.6
119.03421	0.7
119.04930	0.9
121.02903	0.5
123.00809	0.4
124.01565	0.5
125.02367	1.9
129.01888	0.6
131.03448	1.4
134.03687	0.5
137.02422	0.9
143.03450	1.3
145.02844	0.6
149.04477	0.7
152.01091	0.9
153.01851	0.4
155.03427	0.4
159.02953	2.4
159.04037	0.3
161.02458	0.7
161.04509	6.9
162.04865	0.4
163.03929	0.4
168.00607	1.2
173.04492	0.9
177.01848	0.5
179.03465	0.5
191.05618	2.8
208.81537	0.3
225.09268	0.3
226.03607	0.3
233.06874	0.6
233.09486	1.3
249.27216	0.3
266.95557	0.3
293.08917	0.5
325.88705	0.4
375.23978	10.3
376.24326	1.1
387.14532	1.3
429.10519	0.4
501.23700	0.9
507.28220	100.0
508.28568	14.4
567.12909	2.3
567.26465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14114	1.2
52.56173	1.1
57.03336	1.2
58.00490	1.5
59.01265	71.7
59.99832	1.1
60.01588	1.3
61.98707	2.8
69.03349	11.1
69.28249	13.2
71.01268	16.2
72.99187	1.2
73.02831	19.5
83.01279	5.4
85.02840	3.2
87.00795	1.5
93.03336	1.6
96.95964	1.2
97.02859	1.9
101.02340	12.1
108.02081	1.7
110.55933	1.1
113.02341	2.9
116.92767	4.4
125.02341	4.1
133.02899	1.7
135.04449	1.5
143.03406	1.5
150.03157	1.5
155.03461	1.3
161.02434	2.3
165.05467	1.6
175.03961	2.3
182.98048	1.5
191.05554	3.6
195.06592	2.9
203.05676	1.5
275.23795	5.6
299.23798	2.0
301.21713	4.5
319.22845	100.0
320.23224	11.9
333.24545	9.0
334.24774	1.6
343.22849	19.4
344.23184	2.1
361.23926	8.5
373.23846	2.5
385.23969	1.5
448.40402	1.3
463.27374	1.7
481.28098	2.8
519.61743	1.2
523.29272	10.8
524.29407	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	567.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.7
59.01264	72.7
60.01603	1.7
61.98704	6.1
64.40283	1.8
71.00942	2.5
71.01277	23.2
72.99168	2.3
73.02835	12.3
78.95785	2.1
83.01272	5.2
85.02840	13.1
87.00773	4.4
89.02326	5.6
93.03365	2.9
95.01273	2.4
96.95901	2.7
97.02843	2.4
99.00810	3.9
101.02340	18.7
102.98483	2.9
106.04188	1.9
111.04427	2.8
113.02365	9.9
115.03906	7.0
119.04912	1.9
133.02847	5.6
134.03621	5.2
137.02370	2.5
143.03416	2.1
160.01581	6.4
161.02361	6.8
161.16158	1.7
173.04561	2.6
175.03986	7.5
179.03476	2.5
191.05618	10.3
193.05000	5.2
195.06543	2.0
210.06874	2.8
225.09225	3.4
229.68604	2.1
250.59184	1.8
267.05014	3.3
299.02008	1.8
301.21744	5.0
319.22757	4.5
383.85492	2.0
396.93402	2.2
405.27118	2.1
420.09802	1.8
437.27594	5.1
463.27075	7.2
481.28094	10.6
523.29199	100.0
524.29559	18.3
567.31885	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.8
57.03331	1.6
57.75282	0.8
58.00497	1.2
59.01266	100.0
60.01601	1.2
61.98722	3.1
69.03352	1.3
71.01273	20.3
71.43049	2.0
72.99194	1.4
73.02837	8.5
78.95818	1.5
82.33733	0.7
83.01260	4.1
85.02844	16.7
85.99972	1.0
87.00778	2.0
87.67957	0.7
88.98701	0.8
89.02327	2.2
93.03349	1.7
95.01270	2.0
96.95940	4.2
98.95505	0.8
99.00789	3.6
99.92471	1.9
101.02358	14.1
113.02354	9.7
115.91972	2.5
116.92780	7.4
119.04942	1.3
125.02339	1.3
132.02127	1.5
133.02892	10.2
135.04454	1.9
143.03499	1.2
147.04492	1.4
150.20747	0.8
161.02388	21.1
161.04544	3.5
162.02762	2.3
173.04543	0.8
179.03419	1.4
191.05621	1.8
271.02588	1.3
273.22253	1.6
276.97379	0.8
299.01978	1.7
300.02869	1.0
301.21991	1.4
313.18051	1.2
319.22867	10.6
320.23157	1.4
365.68408	0.9
401.21793	1.6
441.64053	0.9
447.27567	1.4
463.27039	5.8
465.28699	1.8
475.18375	0.8
481.28262	12.4
482.28207	2.4
507.13458	1.1
507.26291	8.0
507.35260	1.7
508.27399	1.3
523.29260	91.1
524.22278	1.2
524.29639	14.6
567.15326	6.3
568.15344	1.8
572.64630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.3
58.00462	2.0
59.01265	92.1
61.98711	5.6
67.57339	1.8
71.01275	23.5
71.57370	2.7
73.02859	8.6
78.95796	54.2
80.91543	1.9
83.01273	5.9
85.02847	16.0
87.00763	3.4
89.02337	5.2
93.03357	2.4
95.01283	2.9
96.96867	5.1
99.00836	2.4
101.02345	17.2
104.33144	1.7
113.02370	13.2
113.56023	1.6
116.07722	1.7
119.03396	1.9
119.04941	4.2
121.02874	2.8
125.02369	2.9
132.02101	4.5
133.02905	5.2
134.03668	12.9
135.04430	7.5
137.02341	2.7
145.02940	5.0
147.04449	7.7
149.05975	2.9
151.00244	4.4
160.01598	15.9
161.02390	11.0
161.04512	2.9
173.04619	2.8
175.03990	17.4
176.04198	2.1
190.11775	2.0
191.05615	6.9
193.04985	11.9
195.06635	6.9
287.05798	3.4
449.11038	2.3
463.27151	7.6
481.28229	6.2
507.13190	2.4
523.23346	3.9
523.29266	100.0
523.80780	2.2
524.29449	18.7
567.15405	3.9
567.31323	28.1
568.15662	2.6
568.31354	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	567.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.8
57.03345	2.2
59.01264	50.2
60.01587	1.9
61.98701	2.8
69.03327	2.0
71.01263	19.1
71.58562	1.0
72.99233	1.0
73.02840	8.7
78.95794	1.7
83.01280	7.9
83.02866	1.0
85.02848	14.5
85.99971	2.1
87.00776	2.0
89.02338	1.5
93.03349	2.9
95.01274	3.0
97.02875	2.1
99.00778	3.6
99.41006	0.9
101.02338	16.9
109.02864	1.1
111.00756	1.1
113.02367	9.5
120.30560	1.2
125.02363	1.4
132.02078	3.0
133.02853	3.6
134.03654	6.1
135.04456	1.5
137.02350	2.0
143.03427	2.1
145.02837	1.3
147.04439	3.6
149.05956	1.6
155.07167	0.9
158.03694	1.4
160.01595	11.4
161.02438	7.8
161.04500	2.9
163.03896	1.2
173.04475	1.7
173.06062	1.3
175.03949	13.3
175.06441	0.9
176.04266	1.9
178.02650	1.1
179.03510	1.5
191.05569	11.7
192.04208	1.0
192.05910	2.3
193.05000	7.9
195.06509	1.4
214.63808	1.1
275.23822	1.4
287.20410	1.4
319.22867	14.0
320.23312	2.0
345.17078	1.8
361.18494	3.2
375.04553	1.1
405.17593	2.2
463.27151	8.7
464.27371	2.7
481.28168	18.8
482.28418	4.1
523.29211	100.0
524.29608	19.6
536.78375	1.3
567.14783	2.5
567.22949	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	567.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89641	0.4
55.01785	0.6
57.03329	0.8
59.01265	21.1
60.01603	0.5
61.36057	0.4
61.98714	2.9
66.61522	0.4
68.99689	0.5
69.03348	1.9
71.01270	6.0
71.27275	0.7
72.99211	0.9
73.02854	1.5
75.00768	4.2
77.03865	0.5
78.95796	1.8
81.04325	0.4
83.01292	1.5
83.04890	0.3
85.02838	6.2
87.00773	8.7
87.01279	0.6
89.02332	0.8
89.03851	0.6
93.03372	1.1
95.01299	0.8
95.04946	0.5
96.95916	0.4
96.96863	0.6
97.02869	1.2
99.00778	1.6
101.02338	2.3
105.03376	0.7
107.04951	0.8
109.02874	0.7
111.00794	2.4
111.04443	0.5
113.02362	4.2
115.00251	0.7
117.03361	2.2
119.04938	1.0
121.02907	1.0
123.04464	0.6
123.64190	0.4
132.02107	8.7
133.02888	40.1
134.03680	17.4
135.04471	12.9
136.01578	0.4
136.04774	0.5
137.02370	1.7
139.03989	1.1
139.11278	0.7
141.01701	0.9
143.03410	0.5
145.02917	0.6
146.03566	0.4
147.04457	6.9
149.02425	0.5
149.06041	2.5
151.03967	0.6
158.03687	10.5
159.04451	1.0
160.01614	22.0
161.02399	100.0
162.02722	4.4
163.03964	0.6
165.05449	0.4
170.73486	0.4
173.04636	0.7
173.06035	9.8
174.06456	0.7
175.03970	27.6
176.04332	2.1
177.01926	1.0
178.02676	2.2
179.03468	6.4
180.03825	0.4
183.02951	0.6
183.10260	1.4
191.05544	1.5
191.07146	1.6
192.04283	1.7
193.01361	0.8
193.05045	16.8
194.05438	0.7
195.06653	1.0
201.01968	1.9
201.04044	8.9
202.02670	1.4
203.03513	1.0
210.06895	1.0
217.05042	7.2
218.05423	0.6
225.09148	0.4
247.06050	0.5
253.04953	0.4
264.07907	0.4
268.31064	0.4
279.10281	0.4
281.03302	0.7
299.02008	0.8
341.10318	1.0
349.09357	5.0
350.09628	0.7
419.09903	2.1
462.31516	1.1
463.13934	1.2
463.31906	0.7
481.20712	1.8
507.13177	1.7
523.22101	60.6
524.22382	9.3
567.15021	5.2
567.22339	0.7
567.29535	0.5
568.14819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89641	0.4
55.01785	0.6
57.03329	0.8
59.01265	21.1
60.01603	0.5
61.36057	0.4
61.98714	2.9
66.61522	0.4
68.99689	0.5
69.03348	1.9
71.01270	6.0
71.27275	0.7
72.99211	0.9
73.02854	1.5
75.00768	4.2
77.03865	0.5
78.95796	1.8
81.04325	0.4
83.01292	1.5
83.04890	0.3
85.02838	6.2
87.00773	8.7
87.01279	0.6
89.02332	0.8
89.03851	0.6
93.03372	1.1
95.01299	0.8
95.04946	0.5
96.95916	0.4
96.96863	0.6
97.02869	1.2
99.00778	1.6
101.02338	2.3
105.03376	0.7
107.04951	0.8
109.02874	0.7
111.00794	2.4
111.04443	0.5
113.02362	4.2
115.00251	0.7
117.03361	2.2
119.04938	1.0
121.02907	1.0
123.04464	0.6
123.64190	0.4
132.02107	8.7
133.02888	40.1
134.03680	17.4
135.04471	12.9
136.01578	0.4
136.04774	0.5
137.02370	1.7
139.03989	1.1
139.11278	0.7
141.01701	0.9
143.03410	0.5
145.02917	0.6
146.03566	0.4
147.04457	6.9
149.02425	0.5
149.06041	2.5
151.03967	0.6
158.03687	10.5
159.04451	1.0
160.01614	22.0
161.02399	100.0
162.02722	4.4
163.03964	0.6
165.05449	0.4
170.73486	0.4
173.04636	0.7
173.06035	9.8
174.06456	0.7
175.03970	27.6
176.04332	2.1
177.01926	1.0
178.02676	2.2
179.03468	6.4
180.03825	0.4
183.02951	0.6
183.10260	1.4
191.05544	1.5
191.07146	1.6
192.04283	1.7
193.01361	0.8
193.05045	16.8
194.05438	0.7
195.06653	1.0
201.01968	1.9
201.04044	8.9
202.02670	1.4
203.03513	1.0
210.06895	1.0
217.05042	7.2
218.05423	0.6
225.09148	0.4
247.06050	0.5
253.04953	0.4
264.07907	0.4
268.31064	0.4
279.10281	0.4
281.03302	0.7
299.02008	0.8
341.10318	1.0
349.09357	5.0
350.09628	0.7
419.09903	2.1
462.31516	1.1
463.13934	1.2
463.31906	0.7
481.20712	1.8
507.13177	1.7
523.22101	60.6
524.22382	9.3
567.15021	5.2
567.22339	0.7
567.29535	0.5
568.14819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
56.95166	0.3
57.03285	0.3
59.01263	17.7
60.01623	0.4
61.98723	2.0
64.79668	0.3
69.03340	1.2
71.01270	1.5
72.02399	0.3
73.02838	0.8
76.98485	0.3
78.95800	1.0
83.01279	2.3
85.02845	1.4
87.00768	4.0
87.01267	0.4
89.02341	0.5
89.03865	0.8
93.03345	1.7
95.01287	0.8
95.04932	1.0
95.33308	0.3
97.02865	1.2
98.20670	0.7
99.00769	0.5
101.02380	0.7
103.27249	0.3
104.02612	0.3
105.03393	0.4
106.04216	0.4
108.02069	0.4
109.02899	0.6
111.00790	5.6
111.04453	0.7
113.02345	1.1
117.03374	1.9
119.04965	1.4
121.02859	1.2
131.03409	0.4
132.02097	24.5
133.02829	1.2
134.03664	42.4
135.03957	1.7
135.44374	0.3
136.01595	0.9
137.02379	2.7
139.03932	1.8
145.02892	0.4
147.04448	15.4
148.04797	0.4
149.06018	8.7
150.06305	0.4
153.05495	0.4
157.04945	0.5
158.03682	5.6
159.04128	0.6
160.01604	89.5
161.01924	4.2
164.08357	0.4
165.01793	0.4
173.04588	0.6
173.06015	4.9
174.06496	0.3
175.03960	100.0
176.04292	6.5
178.02667	7.0
179.03111	0.4
179.98401	0.4
183.02919	0.9
191.05577	1.0
191.07124	0.8
192.04320	0.9
193.05031	56.2
194.05385	3.7
200.04755	0.8
201.02113	0.6
201.03998	4.8
202.02747	0.6
202.36240	0.4
214.06439	0.4
215.07085	0.9
217.05052	3.8
218.05336	0.4
229.08719	1.0
229.62674	0.3
243.05165	1.3
245.08136	1.0
247.06171	1.3
271.09821	0.4
313.07285	0.6
315.08871	0.6
331.08481	0.6
349.09369	2.8
391.10437	1.0
395.11646	1.0
397.20593	0.5
419.10117	1.1
435.14484	0.7
463.14075	3.0
464.14542	0.7
507.13226	5.5
508.13290	0.8
523.29388	1.4
526.62799	0.3
567.15155	19.3
568.15405	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	567.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13511	0.9
56.14985	0.9
59.01265	64.8
63.93768	0.9
65.03834	1.1
71.01271	7.3
74.60963	0.9
77.03848	2.2
80.02566	2.0
81.03346	1.9
83.04914	1.1
84.94928	0.9
89.03872	1.0
91.01781	1.7
93.03382	7.2
95.04928	28.7
96.99215	2.0
97.02840	2.6
98.00014	10.8
102.33044	1.0
109.02848	1.6
111.00761	1.5
111.04425	11.2
115.00270	1.6
115.05455	1.1
117.03390	3.9
121.02876	2.2
123.04450	4.6
132.02158	1.3
134.03665	46.5
135.04007	2.1
137.02364	1.3
139.03944	41.2
140.04262	1.7
145.02933	1.1
146.03719	2.1
147.04460	42.3
148.04771	2.8
149.06020	7.5
158.03647	1.5
159.04453	2.7
160.01602	2.9
161.05988	2.5
163.03973	1.4
173.45882	1.1
173.51961	0.9
175.03940	2.7
178.02682	2.9
183.02943	4.8
193.05063	47.2
194.05347	3.5
209.06053	1.1
210.06860	88.9
211.07253	6.6
225.09229	100.0
226.09610	7.3
235.07681	11.1
236.08365	6.4
237.09225	10.8
238.10008	17.9
243.05145	6.0
251.10754	3.0
253.12413	1.2
263.07123	4.2
264.08005	7.6
279.10373	8.1
280.10611	1.3
281.03094	30.5
282.03412	2.4
297.11398	30.4
298.11743	4.4
308.06946	2.3
313.62027	1.1
323.09348	8.9
341.05569	2.6
341.10352	32.9
342.10538	4.6
383.11432	2.0
393.83585	1.0
507.13098	51.0
508.13501	9.0
567.15265	26.8
568.15961	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	567.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.1
57.48232	0.6
59.01264	84.0
60.01606	1.2
61.98718	1.5
63.44435	0.7
65.00203	1.6
65.03843	1.1
65.12032	0.7
66.21619	0.6
67.01803	0.9
68.04262	0.6
69.03334	2.6
69.92396	1.7
69.92788	1.9
71.01273	8.9
73.02840	2.0
77.03857	1.7
80.02552	0.9
81.03344	2.9
82.95274	0.7
83.01283	2.7
83.04893	1.7
85.02845	2.6
87.00775	8.3
88.98693	1.7
89.02362	1.6
89.03857	1.2
91.01786	3.2
93.03350	7.9
95.01302	3.5
95.04919	15.4
96.95912	2.2
96.99239	1.2
97.02863	3.6
97.99984	4.1
98.20496	0.9
99.00790	2.1
101.02340	2.4
106.04164	0.9
108.02087	2.7
109.02850	2.0
111.00785	5.9
111.04427	7.6
113.02357	2.6
115.00295	1.7
115.05458	2.1
117.03379	3.3
119.04963	2.6
121.02900	7.4
122.03713	0.9
123.00816	1.1
123.04446	10.2
124.01546	0.8
125.02454	1.2
129.01842	2.5
130.15671	0.6
132.02086	3.6
133.02884	7.1
134.03670	100.0
135.03920	4.1
136.01590	1.2
137.02377	4.2
139.00304	1.2
139.03938	16.7
141.01804	1.4
145.02864	3.9
146.03673	3.2
147.04466	28.4
148.01633	1.4
148.04880	0.9
149.02406	5.9
149.06033	16.3
150.03125	1.3
150.06427	0.7
153.01843	1.3
158.03717	1.3
158.68558	0.7
159.04507	3.9
160.01619	12.4
161.02402	11.6
161.06035	2.6
162.02956	1.1
163.03963	2.4
165.01962	1.0
165.05533	1.1
165.06905	1.1
167.03500	4.0
167.04720	0.7
173.02408	0.9
173.06094	1.1
175.03944	16.4
176.04707	2.3
177.01917	0.9
178.02675	6.0
179.03453	2.0
183.03006	3.7
185.06068	1.1
187.03986	5.8
188.04453	0.9
191.05554	2.3
191.07137	0.8
192.04199	1.6
193.05037	34.4
193.10188	0.9
194.05334	1.7
197.06091	1.0
201.03978	8.2
202.04231	0.7
210.06850	37.8
211.07222	3.2
217.05077	0.8
219.05107	2.8
221.06183	1.0
222.06882	1.8
225.09212	41.7
226.09550	3.9
229.08621	0.9
234.06812	0.9
235.07655	16.9
236.08397	10.8
236.32036	0.8
237.09187	15.6
238.09955	14.4
239.10371	1.7
242.63329	0.7
243.05135	7.7
245.03123	0.9
246.07059	0.7
247.07671	1.4
249.09183	1.6
251.10861	3.0
253.12221	1.2
263.07159	7.1
264.07959	10.9
265.08188	0.9
271.02774	0.7
279.10300	16.7
280.10736	1.5
281.03070	13.2
282.03412	0.8
295.09558	0.9
297.11389	30.8
298.11768	3.4
306.09158	0.8
308.07043	2.3
321.11343	8.7
322.11880	0.9
323.09317	9.4
324.09525	1.1
339.12506	1.0
341.10364	61.2
342.10715	7.4
365.10391	2.1
383.11551	0.8
419.15475	0.9
462.31726	1.4
463.14026	3.1
507.13046	34.7
508.13489	6.8
523.21930	5.6
525.14154	1.3
567.15112	17.7
567.23700	1.0
568.15613	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	567.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22357	0.3
55.01759	0.6
57.03322	0.4
58.63758	0.3
59.01263	3.0
65.15053	0.3
68.99732	0.3
69.03335	0.4
71.01278	3.5
71.46284	0.3
72.99191	1.2
73.02842	0.9
75.00764	0.4
83.01270	0.3
85.02846	3.3
87.00771	0.9
89.02337	1.9
92.54528	0.3
93.03360	15.6
93.46458	0.3
94.03691	0.5
95.01270	1.0
96.95915	0.7
97.02853	0.5
99.00784	1.3
101.02346	1.5
108.02081	47.3
109.02885	9.8
113.02367	1.5
119.04953	0.7
121.02868	0.6
121.91734	0.3
123.00809	0.9
123.04478	0.4
125.02368	0.8
129.01868	0.3
133.02870	0.3
134.03668	0.5
135.04451	0.9
137.02380	24.8
138.02710	0.8
138.34119	0.3
151.00291	0.4
151.03943	1.0
152.01097	100.0
153.01738	5.1
161.04517	0.7
163.03964	3.9
165.02104	0.4
173.04541	0.4
175.03912	0.4
177.01921	0.9
179.03476	1.3
181.05045	0.3
183.48091	0.3
191.05605	1.9
193.05014	0.3
207.02985	0.7
233.06790	0.3
260.07230	0.3
271.08200	0.5
297.06088	0.4
315.07349	1.1
429.10455	14.0
430.10852	1.3
447.11557	14.4
448.11810	1.6
463.21597	0.6
548.74231	0.3
567.13666	80.5
568.14020	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	567.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25352	0.4
57.03339	0.8
59.01267	3.9
65.03842	1.3
71.01285	2.7
71.58353	0.6
71.61090	0.5
72.99224	1.0
73.02824	1.1
73.56954	0.5
78.95796	6.1
85.02844	3.2
85.49223	0.4
87.00780	0.5
89.02374	0.4
93.03359	81.2
94.03696	3.0
95.01289	0.9
96.96873	5.1
97.02860	0.5
99.00791	0.7
101.02342	0.9
108.02082	42.4
109.02899	10.8
112.88943	0.5
113.02348	2.3
119.04988	1.1
121.02865	0.9
122.03664	0.6
123.00764	0.6
123.04399	0.4
125.02377	0.6
133.02827	0.5
134.03583	0.7
135.04460	1.4
137.02377	98.5
138.02693	3.4
143.73863	0.5
145.02943	0.6
147.04483	0.6
152.01094	100.0
153.01817	4.6
163.03928	3.3
169.35858	0.5
175.03972	1.5
177.01915	1.1
179.03462	1.2
191.05583	2.5
193.05083	0.5
201.01904	0.5
207.02922	1.2
233.09448	3.5
234.09927	0.7
297.06161	0.7
315.07208	1.7
333.14987	0.4
411.09344	0.8
429.10452	88.2
430.10767	8.9
430.16199	0.8
447.11523	3.6
471.22510	0.6
532.90625	0.5
567.13678	56.1
568.13904	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	567.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00959	1.0
59.01264	19.5
68.99686	0.7
69.03341	2.7
69.53156	4.9
71.01276	1.3
81.03316	1.1
83.01281	2.0
85.02839	1.7
87.00774	20.8
89.03858	1.5
93.03367	1.9
95.01322	0.7
95.04916	1.6
97.02882	3.1
98.19852	1.4
99.00804	0.8
109.02863	0.8
111.00775	5.8
115.00262	0.9
117.03352	3.4
117.25855	0.7
119.04930	1.6
121.02856	1.0
129.01833	0.6
130.04185	1.3
132.02103	21.9
133.02879	1.3
134.03668	48.6
135.04028	2.0
137.02327	2.5
139.03955	2.0
141.01855	0.8
146.77798	0.6
147.04462	22.3
148.04936	1.2
149.06056	9.1
157.04987	1.1
158.03687	35.6
159.04298	3.4
160.01608	78.5
161.02159	4.6
173.06044	32.9
174.06372	2.7
175.03969	100.0
176.04344	6.7
178.02676	5.4
179.03114	0.7
183.02980	2.0
191.07138	7.2
192.04221	1.2
193.05046	58.0
194.05423	4.1
201.01959	3.7
201.04007	23.1
202.02676	4.0
202.04427	1.5
203.03500	1.3
214.06311	1.0
215.07103	1.4
217.05064	24.1
218.05377	2.5
229.08699	1.2
247.06143	1.4
313.07437	1.3
324.58987	0.9
331.08194	1.1
343.61786	0.8
349.05426	1.3
349.09396	16.8
350.09796	1.2
377.09372	0.8
391.10477	1.0
395.11688	1.2
419.09976	9.4
419.15219	1.1
420.10495	0.9
442.31482	0.8
449.64941	0.6
463.14194	3.4
507.13043	5.6
508.13693	1.0
567.15326	20.8
568.15680	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	567.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.7
59.01267	3.7
61.75026	0.6
69.03352	1.6
70.02213	2.8
71.01276	2.0
72.99208	1.3
73.02834	1.3
74.00287	0.6
78.95793	18.2
83.01266	0.8
85.02840	4.0
87.00771	1.2
88.98692	0.8
89.02327	0.9
93.03359	75.2
94.03712	2.3
95.01311	1.0
96.96870	15.5
98.92975	0.6
99.00776	0.7
101.02337	1.7
106.53418	0.6
108.02079	42.2
109.02877	11.3
111.32409	0.6
113.02343	1.8
126.34318	0.6
134.03683	0.8
135.00865	0.6
135.04463	1.6
137.02373	94.3
138.02728	3.4
151.00401	0.7
151.03999	0.6
152.01093	97.1
153.01802	6.0
161.02328	0.6
163.03960	3.8
175.04051	1.1
177.01872	1.2
178.02701	0.7
179.03462	1.1
191.05612	0.6
199.43927	0.6
201.01959	0.8
207.02823	0.9
219.02884	0.7
226.49562	0.6
233.09496	19.4
234.09805	8.5
235.10057	2.1
297.06207	1.0
315.07187	2.2
319.99487	0.6
333.19464	0.8
411.09253	0.9
429.10446	100.0
430.10840	9.3
434.44995	0.6
442.00046	0.6
447.11456	3.0
567.13654	68.7
568.13989	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	567.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.7
65.07660	0.6
69.03326	0.6
71.01276	2.8
71.57185	0.7
72.99184	0.9
73.02832	1.0
83.01255	1.2
85.02840	4.0
87.00770	0.8
89.02324	1.4
89.84367	0.6
93.03362	16.6
93.27299	0.6
95.01307	1.4
96.95909	4.1
99.00797	0.8
101.02326	1.3
108.02083	49.4
109.02896	9.4
113.02348	1.4
117.57626	0.6
121.02843	1.3
123.00814	0.7
133.02870	0.9
134.03636	0.9
135.04430	1.6
136.01729	0.7
137.02377	23.7
138.02682	1.0
150.77193	0.7
151.03955	1.2
152.01093	100.0
153.01805	4.5
161.04544	0.9
163.03917	4.1
174.99644	0.6
177.01907	1.0
179.03394	1.2
191.05606	7.4
207.03075	0.9
229.01489	0.8
259.99997	0.8
297.06201	0.8
429.10480	12.9
430.10892	1.3
447.11627	13.7
448.12097	1.3
567.13666	72.4
568.14069	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	567.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68321	0.3
55.01779	0.4
57.03343	0.4
58.00476	0.7
59.01268	15.3
66.34557	0.3
66.90585	0.3
69.03346	1.2
70.98229	0.7
71.01274	10.4
72.99198	1.9
73.02840	0.6
75.00771	0.4
81.03352	0.3
83.01274	0.9
85.02844	2.6
87.00777	1.2
89.02340	15.0
90.58352	0.3
93.03368	0.9
93.89633	0.3
95.01283	2.5
97.02866	1.1
99.00812	0.6
101.02348	5.9
103.00266	0.8
107.01315	0.6
108.02117	0.9
109.02859	0.8
113.02361	4.7
113.75688	0.4
119.03430	5.8
119.04911	0.4
121.02874	10.5
123.00806	11.9
123.04356	0.4
124.01596	29.9
125.02391	16.4
126.02716	0.5
131.03438	0.4
133.02898	0.7
135.04427	1.0
137.02394	1.0
139.00281	0.5
145.02887	1.1
147.04433	0.5
149.02382	0.9
149.04468	0.4
149.99536	47.5
151.00171	2.5
151.03978	1.3
152.01106	0.6
153.01884	0.4
161.02396	5.8
161.04509	1.2
162.03177	4.8
163.03943	1.2
165.01996	0.4
167.03455	1.0
168.00604	100.0
169.01147	6.0
176.04753	1.9
177.05510	3.1
179.03473	5.6
179.05492	2.2
180.04175	0.8
181.70067	0.3
191.05548	0.8
191.07108	0.5
194.05826	4.6
195.06505	0.8
209.08202	6.5
229.01367	0.8
251.07161	0.7
269.06696	0.6
323.05609	0.9
331.06821	2.6
357.12201	0.5
363.18286	0.4
445.09918	1.7
470.22302	0.4
549.11926	0.6
567.13666	99.9
568.14038	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	566.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01790	0.6
55.06509	0.3
56.78800	0.4
57.03348	0.6
59.01266	69.2
60.01608	1.7
61.98719	100.0
69.03367	0.4
71.01274	8.8
72.55451	0.4
72.99209	0.7
73.02831	3.2
75.00747	0.5
78.95795	0.7
83.01256	1.2
85.02849	4.5
87.00780	1.8
87.04426	0.4
89.02338	3.3
93.03364	2.1
94.03670	0.4
95.01283	1.0
96.95916	0.6
97.02844	0.6
98.20551	1.0
99.00774	1.0
101.02343	5.2
101.05972	1.1
102.02690	0.4
107.63394	0.4
108.02037	0.6
109.02872	0.4
111.00747	0.7
113.02349	4.6
115.91883	0.4
119.03385	1.2
119.04881	1.2
121.02856	0.7
122.03591	1.6
123.04405	0.4
125.02342	0.8
129.01790	0.6
131.03384	0.7
132.02037	0.5
133.02873	0.5
134.03709	1.8
135.04478	1.8
136.01492	1.2
137.02315	1.2
137.05948	1.5
141.01599	0.5
143.03355	0.7
145.02806	1.2
147.04361	1.0
149.02319	0.6
149.04443	0.5
151.03828	1.2
159.04353	0.6
160.01489	1.1
161.02255	1.0
161.04474	1.8
163.03865	1.4
173.04384	1.5
173.05792	0.4
175.03799	1.0
175.07344	0.3
178.02541	0.3
179.03308	0.8
179.05424	0.8
191.03394	1.0
191.05435	4.2
191.07133	0.7
192.05824	0.6
193.04903	1.0
195.06488	0.5
205.08504	0.7
211.07364	0.3
213.14716	1.3
217.01294	0.9
235.07658	0.5
255.19533	0.5
264.07739	0.5
301.17819	0.7
331.19183	2.8
345.16727	0.6
357.12811	1.4
399.23962	13.4
400.24411	1.9
417.25043	11.7
417.30240	0.6
418.25253	1.7
459.26050	6.5
460.25940	0.8
470.20435	0.6
471.22437	4.9
505.32767	1.2
506.34232	2.5
507.33670	0.4
518.63086	0.4
524.34521	0.4
565.75208	0.6
567.22412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.3
57.25737	0.3
59.01264	100.0
59.57451	0.2
60.01598	1.6
61.98718	1.1
63.10981	0.3
69.50127	1.7
71.01268	3.0
73.02843	1.1
75.00784	0.5
78.95803	0.6
83.01295	0.6
85.02867	1.7
87.00789	0.4
89.02354	1.0
93.03389	0.6
96.95942	0.4
99.00809	0.3
101.02343	1.4
102.98506	0.3
109.06514	0.5
111.04440	0.8
113.02372	1.8
115.46033	0.3
117.03381	0.5
125.02383	1.5
133.02887	0.5
135.04434	0.7
143.03487	0.4
145.02895	0.7
151.07587	2.3
160.01645	0.3
161.02446	0.9
161.04507	0.5
173.04466	0.5
179.03491	0.6
191.05531	1.5
192.05937	0.4
195.06606	9.8
195.08304	0.5
196.06949	0.6
238.90396	0.3
243.98746	0.3
251.23608	0.3
259.85999	0.3
263.00079	0.3
301.27640	0.5
445.31799	7.4
446.32391	1.2
461.25613	0.8
463.32919	2.5
464.33878	0.4
479.27045	0.4
505.33987	2.3
506.34378	0.5
547.18750	0.6
565.21826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.5
61.03680	0.2
62.96297	0.2
69.54787	0.9
69.55213	0.5
71.01269	0.2
72.99204	0.8
78.95794	69.6
83.08688	0.2
85.02847	0.4
87.00776	0.2
93.03337	1.0
96.96865	58.7
109.02817	0.2
121.02863	0.3
123.04424	0.4
133.02861	0.5
134.03735	0.2
135.04451	1.3
137.02405	1.1
144.05721	0.2
145.29866	0.2
149.02368	0.3
151.03969	0.3
161.02380	0.7
163.03993	0.2
173.04517	1.1
173.67751	0.2
177.01891	0.3
179.03416	1.1
191.05606	2.9
193.05029	0.4
233.09499	100.0
234.09843	5.5
234.12213	0.2
247.04543	0.5
267.70123	0.2
303.29395	0.2
353.08875	0.4
456.06473	0.2
473.24857	0.2
541.25922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35267	0.5
54.22443	0.5
55.01756	2.3
57.03325	1.3
58.00466	1.0
59.01267	36.6
61.25742	0.4
61.98729	3.2
65.60036	0.4
66.15564	0.5
71.01272	29.4
71.58935	0.5
71.59393	0.6
72.01587	0.5
72.99193	1.8
73.02837	10.5
75.00764	1.1
81.03374	0.5
83.01273	5.5
85.02847	15.2
85.99979	0.5
87.00771	2.1
88.98695	2.4
89.02338	8.7
93.03378	2.4
95.01280	2.6
96.96041	0.5
96.96830	0.5
97.02859	0.7
99.00793	3.7
101.02348	23.5
102.02724	0.8
106.33900	0.5
111.00779	2.3
113.02361	11.9
117.03394	0.7
119.03438	3.1
121.10120	2.3
125.02377	1.3
129.01837	1.0
135.04443	0.9
137.02499	0.6
143.03461	1.4
145.02885	1.5
159.02988	2.3
161.04524	8.6
163.03964	0.6
173.04559	1.5
174.04880	0.6
179.05579	1.3
185.15396	1.7
187.07733	0.6
191.05597	4.4
192.05905	1.2
193.05986	1.5
205.03732	0.5
218.19498	0.6
226.01630	0.5
275.09381	0.6
279.69733	0.5
311.16550	0.8
327.61475	0.5
343.28583	3.9
344.29022	0.7
505.33942	100.0
506.34268	19.0
521.22943	1.1
547.21124	1.7
565.21674	3.1
566.21851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92127	0.2
59.01259	1.3
64.70973	0.2
67.83530	0.2
69.03339	0.6
69.90700	0.4
69.91107	1.4
71.01262	1.5
73.02834	0.5
78.95795	64.2
85.02837	0.8
87.00782	0.3
89.02349	0.3
93.03370	0.5
95.01314	0.2
95.04911	0.3
96.74823	0.2
96.96864	50.8
98.20462	0.4
99.00791	0.4
101.02343	1.0
107.34251	0.2
108.02071	1.7
109.02894	0.5
113.02361	0.4
121.02876	0.3
124.91700	0.2
132.02116	0.3
133.02879	5.1
134.03212	1.7
135.03403	0.8
135.04446	2.2
136.04793	0.6
137.02301	0.3
152.01099	3.9
161.02403	12.0
162.02740	5.4
163.02896	2.8
175.03923	0.3
179.03471	1.1
180.03883	0.5
181.84517	0.2
185.60716	0.3
191.05598	1.2
210.88098	0.3
233.09506	100.0
234.09836	5.5
426.38840	0.3
429.10480	0.6
447.11597	1.8
448.11810	0.3
565.18250	10.0
565.36298	0.5
566.18024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12852	0.8
53.50794	0.8
57.03333	0.9
59.01268	100.0
59.11573	0.8
60.01624	1.3
61.98698	0.9
67.15899	0.9
71.01274	13.9
72.99197	1.8
73.02488	0.8
73.02835	4.7
78.95803	3.0
83.01263	2.1
85.02844	7.6
87.00774	1.7
89.02327	3.2
93.03374	1.9
95.01295	1.5
99.00755	1.6
101.02340	8.2
113.02352	8.4
143.90692	1.0
161.04485	3.0
173.04529	1.0
176.60912	0.9
191.05627	0.9
229.57661	1.6
235.07314	1.0
271.35684	0.9
317.21243	6.9
461.25531	21.4
462.25748	4.6
479.26639	13.7
480.26862	2.8
505.33643	2.3
521.27448	2.5
527.15576	1.0
565.28351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.9
65.84532	0.2
70.33703	0.6
71.01275	0.6
73.02820	0.2
78.95790	75.8
88.98689	0.3
89.02331	0.3
95.96075	0.3
96.96860	58.2
98.95585	0.2
101.02338	0.4
108.02094	0.2
113.91106	0.2
125.02473	0.2
133.02858	0.4
135.04404	0.3
137.26968	0.2
146.26984	0.2
152.01071	0.2
161.02336	0.3
177.01889	0.2
191.05611	0.5
191.75743	0.1
233.09485	100.0
234.09811	5.6
266.89844	0.2
281.08206	0.2
331.04599	0.2
343.14648	0.2
457.49286	0.2
501.45230	0.2
565.16046	0.4
565.35468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48980	0.6
55.01753	1.0
57.03349	5.0
59.01268	43.1
60.01603	0.7
61.98482	0.6
61.98730	7.1
67.01775	0.7
68.99673	0.7
69.03343	1.8
71.01276	27.1
71.60948	0.9
72.01577	0.8
72.99204	5.7
73.02840	7.3
75.00767	27.5
78.95792	2.0
83.01286	3.5
85.02846	26.7
86.23317	0.6
87.00774	8.7
89.02342	10.3
93.03340	3.9
95.01297	2.9
96.95930	1.9
97.02840	1.7
97.81359	0.6
99.00778	9.3
99.92526	0.6
101.02355	6.8
103.00243	1.1
109.02887	1.5
111.00816	1.1
111.04447	0.9
113.02361	29.5
115.00280	3.1
116.92778	8.8
117.01836	2.4
117.03320	0.8
117.92758	0.6
119.03428	3.0
119.04967	3.5
121.02843	0.9
123.08110	0.7
125.02379	1.3
129.01871	1.4
131.03433	2.0
133.02957	1.0
135.04453	1.2
137.02382	1.2
141.01765	0.7
143.03419	1.5
145.02895	3.6
155.03325	0.8
157.01372	1.1
161.02406	0.8
161.04547	1.0
163.03993	2.0
164.24924	0.6
173.04512	6.7
175.02483	3.1
175.03787	0.6
179.03476	1.2
179.05609	0.9
191.05595	9.7
192.05927	1.3
195.06592	1.5
195.08191	0.9
201.04120	0.6
211.07561	1.2
227.03482	1.4
237.12364	0.6
243.05052	0.8
255.03064	1.4
260.47855	0.7
284.03290	1.7
285.04016	2.4
322.34540	0.8
327.08850	0.9
329.17850	1.1
343.15659	0.8
345.07370	0.7
361.16635	1.0
361.29782	1.0
391.16870	0.7
417.21310	1.6
461.20578	0.7
503.20950	0.8
504.33212	0.7
505.33887	8.6
506.34402	0.8
521.22528	100.0
522.22992	13.7
523.34985	2.0
552.36133	0.6
565.22552	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	565.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
57.03343	0.4
59.01264	2.6
68.99725	0.3
69.03330	0.7
70.71080	0.3
70.71465	0.9
71.01277	4.5
72.99209	0.7
73.02837	1.1
74.20671	0.2
78.95792	17.5
79.01768	0.3
81.03349	0.3
83.01286	0.7
85.02847	3.5
87.00774	0.6
89.02328	1.4
91.05430	3.8
93.03358	0.4
95.01293	1.4
96.96864	15.0
97.02849	0.6
99.00779	1.7
101.02367	2.1
107.04913	0.3
108.02077	45.6
109.02887	11.1
111.00816	0.3
113.02349	2.2
119.04967	0.4
121.02873	1.0
123.00815	0.6
123.04436	0.7
125.02379	0.7
129.01860	0.3
131.03352	0.4
133.02896	0.6
134.03709	0.5
135.04474	2.5
143.03323	0.3
145.02876	0.3
147.04411	0.3
151.00267	0.4
151.03896	1.4
152.01091	100.0
153.01738	5.0
161.02402	0.3
161.04553	1.5
163.03947	4.2
171.45486	0.3
175.03937	0.4
177.01852	1.2
179.03458	1.1
181.05096	0.4
191.05574	1.0
193.05052	0.3
207.02977	0.8
233.09497	30.5
234.09740	1.1
253.07280	0.3
263.38550	0.3
271.08389	0.6
297.06070	0.4
300.02618	0.3
301.03030	0.3
315.07547	1.4
339.60034	0.3
429.10458	12.1
430.10709	1.6
447.11530	46.2
448.11786	4.3
505.26599	1.8
565.15729	61.3
566.16071	9.9
566.24963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61667	0.8
59.01270	5.8
60.99187	1.2
67.01770	3.8
69.03344	1.7
69.29131	1.7
69.29527	7.5
71.01266	6.6
72.98786	1.7
72.99201	35.1
73.02826	1.6
81.03355	2.4
82.44365	0.8
83.04913	1.5
85.02844	10.2
87.00773	7.8
89.02362	2.3
93.03360	32.9
94.03672	1.0
95.01330	4.9
95.04940	3.1
97.02875	1.2
97.06490	6.7
98.14787	1.0
98.19765	1.9
99.00748	1.3
99.04404	1.3
100.98681	1.2
101.02354	1.2
107.04932	2.7
108.02116	4.5
109.02868	8.2
111.00803	1.1
111.04426	8.0
113.02365	1.9
116.93996	0.8
121.02863	8.2
122.03664	0.9
123.00809	6.1
123.04433	13.2
124.01610	4.6
125.02367	1.1
127.03923	2.3
129.01840	1.0
133.02859	6.6
134.03696	6.2
135.04454	62.8
136.01581	2.1
136.04779	2.6
137.02379	52.0
138.02760	2.1
139.00378	4.1
139.03938	6.9
141.05499	2.9
149.02391	11.6
151.03938	9.1
152.01089	1.6
153.01871	5.2
155.03502	4.1
159.04433	1.2
161.02394	14.3
165.01881	4.6
166.99823	1.0
167.03455	9.2
168.00601	3.4
169.01326	1.6
173.04510	47.6
174.04851	3.1
177.01848	3.1
179.03462	50.8
180.03838	4.0
182.99332	2.0
184.04172	1.0
185.04521	1.2
186.05559	2.0
191.05585	100.0
192.05954	6.3
193.01390	11.3
193.06029	1.4
195.02972	2.4
211.02382	3.3
212.03450	1.0
213.03900	1.3
230.04584	0.9
247.04614	34.2
248.04933	2.1
249.79773	1.0
315.07431	1.7
315.10895	5.1
335.07755	8.3
351.07132	1.4
353.04648	1.7
353.08853	26.0
354.09256	3.6
359.10104	1.5
367.06616	1.9
369.08365	2.0
385.07730	3.1
387.09204	1.3
397.72913	0.9
403.08768	3.3
404.09766	3.1
409.07861	1.8
410.07932	1.1
505.26651	6.6
506.26624	0.9
565.11798	3.0
566.12970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10646	1.0
57.03326	1.4
58.00483	1.1
59.01268	25.9
60.99182	1.5
61.61631	1.4
63.05085	0.9
67.01777	3.3
67.98153	1.0
69.03337	1.9
69.31355	10.3
71.01270	18.8
72.99196	36.8
73.02843	6.5
75.00729	1.1
81.03336	1.9
83.01278	1.7
85.02840	11.8
86.03111	1.0
87.00779	6.9
89.02343	19.4
93.03360	29.9
94.03690	1.4
95.01283	2.7
95.04948	1.8
96.95915	3.9
97.02856	2.6
97.06478	5.9
98.20531	1.5
98.95544	1.1
99.00787	7.5
100.98692	1.1
101.02348	13.5
107.04904	1.0
108.02087	1.9
109.02900	6.4
111.04412	7.5
112.76479	0.9
113.02356	5.3
117.03429	2.0
119.03432	2.3
119.04915	5.4
121.02865	4.5
123.00788	2.4
123.04427	12.1
124.01601	3.4
125.02354	3.1
127.03934	2.3
131.01454	1.1
131.03429	3.4
133.02879	12.5
134.03757	5.6
135.04449	58.0
136.01607	2.3
136.04785	4.3
137.02376	44.7
139.03941	6.4
140.04294	1.4
141.05530	3.2
145.02859	2.6
148.01593	1.3
149.02397	10.7
149.04468	10.5
151.03963	8.6
155.03409	4.8
159.04434	1.5
161.02394	30.8
161.04420	1.8
162.02765	2.0
163.03957	11.0
165.01881	4.9
167.03447	10.3
173.04515	47.0
174.04793	1.8
177.01913	4.2
179.03456	54.3
180.03802	3.0
186.05560	3.1
191.05585	100.0
192.05927	6.0
193.01427	11.0
195.02975	3.9
211.02432	2.5
212.27162	1.0
213.04242	1.1
221.06606	1.3
234.48097	0.9
234.66989	1.1
247.04619	29.2
247.99336	0.8
248.05032	2.0
251.08015	1.0
257.22394	1.0
293.78943	0.8
311.09830	1.1
315.10938	4.1
335.07785	10.1
351.07269	2.8
353.08868	21.7
354.09143	2.4
359.09778	1.5
361.24353	1.0
367.06540	2.4
369.08408	2.2
385.07974	2.7
387.09332	1.7
403.08987	4.6
403.16156	17.4
404.09753	1.7
404.17062	1.0
409.07861	2.3
502.67529	1.3
505.26611	22.8
506.27127	1.3
565.19397	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	563.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03361	0.4
59.01266	100.0
60.01603	1.0
60.99226	0.4
61.98721	2.5
61.98993	0.4
67.01796	0.5
69.03329	0.3
71.01277	3.2
71.24836	0.3
71.56284	0.4
72.99210	0.3
73.02858	1.0
78.95822	0.5
81.03355	0.3
83.01306	0.7
85.02853	3.8
87.00794	1.4
89.02346	0.5
93.03372	4.1
95.01274	0.5
96.95944	0.7
101.02357	2.1
108.02110	0.5
109.02881	1.9
111.00798	0.3
111.04427	0.6
113.02367	1.6
117.03376	0.9
119.04961	0.4
121.02877	0.8
124.01585	1.3
125.02358	1.2
127.03938	0.5
133.02888	1.9
134.03659	1.2
135.04454	18.7
136.04814	0.7
137.02403	0.6
138.92406	0.3
143.03430	0.6
145.02940	1.1
149.06155	0.4
150.03143	0.4
151.03952	2.1
151.07593	0.5
154.02707	0.3
160.01630	0.7
161.02388	4.7
161.04523	0.7
162.02788	0.6
163.03969	0.8
173.04495	1.8
174.03198	0.4
179.03456	4.9
190.97673	0.3
191.05591	22.1
192.06049	0.9
195.06619	3.6
196.07005	0.4
200.04813	0.4
299.01968	1.5
299.26062	0.8
307.08447	0.5
308.09067	3.0
309.15063	0.8
315.25452	3.2
316.25839	0.7
327.16187	1.3
343.15704	0.6
345.17160	0.6
351.07449	0.7
352.08096	2.5
353.08878	0.3
353.14114	1.0
371.15048	9.5
372.15399	1.7
380.04538	2.3
380.54877	1.2
383.93335	0.4
389.16531	0.4
443.30276	7.7
443.35986	0.6
444.30466	0.9
461.31253	4.0
462.31836	0.6
482.14429	0.6
482.64496	0.4
503.32718	1.5
504.32660	0.4
519.21252	0.4
519.32037	1.5
563.21729	2.9
563.35022	0.9
564.21838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.4
57.03347	0.4
59.01266	100.0
60.01600	1.2
61.98720	1.0
69.91214	1.2
69.91615	0.6
71.01275	3.0
73.02848	1.0
77.37438	0.3
78.95789	0.5
83.01292	1.2
83.04950	0.3
85.02853	2.6
87.00794	0.7
89.02364	0.6
93.03355	1.9
95.01313	0.4
96.95944	1.5
99.00814	0.6
101.02364	1.9
109.02892	1.7
111.00814	1.1
111.04406	0.5
113.02367	2.3
117.03387	0.7
119.04961	0.4
121.02888	0.7
124.01579	0.5
132.02133	0.4
133.02895	2.6
134.03606	0.6
135.04472	4.9
136.04823	0.5
143.03444	0.5
145.02919	1.2
151.00368	1.0
151.03990	0.6
151.07585	1.0
152.01099	0.4
161.02394	3.7
161.04590	0.8
162.02725	1.9
163.02881	0.5
163.04053	0.5
173.04619	0.9
178.99850	0.4
179.03458	1.8
191.05600	7.0
191.07350	0.5
192.05972	0.6
195.06573	2.0
266.99829	0.3
270.05774	0.4
271.02539	0.7
295.69513	0.3
299.01996	2.2
299.26166	1.2
299.52737	0.5
308.09229	0.6
315.25735	0.4
327.15811	0.4
347.42590	0.3
371.15021	3.3
380.04776	3.7
380.55002	1.5
443.30270	11.9
444.30429	1.8
461.31332	6.1
462.32047	0.8
482.14197	1.1
482.64371	0.6
503.32584	2.0
504.32965	0.4
519.21759	2.8
519.31775	0.4
520.21252	0.4
563.21655	1.2
563.34265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.8
57.39535	0.5
57.65717	0.5
58.00492	2.6
59.01267	64.5
60.01583	0.6
61.98708	0.6
64.30634	0.5
66.35742	0.5
68.54160	0.5
69.03352	1.1
69.88368	2.3
69.88788	1.3
71.01274	48.2
72.01632	1.2
72.99210	3.1
73.02843	15.5
79.06275	0.5
82.22317	0.5
82.43787	0.5
83.01276	1.1
85.02847	5.2
87.00771	1.9
89.02340	100.0
90.02678	1.8
93.03326	1.4
97.02852	1.0
98.20596	0.5
99.00787	28.7
100.01112	0.9
101.02352	42.7
102.02680	0.8
113.02365	7.1
115.03947	0.7
119.03423	3.2
119.04929	1.1
125.02357	4.3
131.03441	16.5
135.04460	1.6
143.03429	2.4
149.04504	97.1
150.04872	2.4
155.45119	0.6
161.02423	0.7
161.04451	4.1
163.03947	0.8
173.04581	1.3
191.05594	24.5
192.06047	1.3
193.78250	0.5
221.06708	10.8
251.07788	11.8
258.84525	0.6
275.07892	0.9
293.08868	4.4
301.44269	0.5
304.91238	0.5
311.09921	5.8
329.13971	0.5
503.25320	6.6
504.25394	1.1
563.18420	0.8
563.27441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36798	0.4
53.40547	0.5
57.03318	0.7
59.01270	9.6
60.99192	0.6
61.98729	0.5
67.01784	1.4
68.69073	0.4
68.99715	0.9
69.41046	3.8
69.41453	0.9
71.01276	4.0
72.61313	0.5
72.99203	1.6
73.02827	1.6
78.95798	1.2
81.03382	0.7
85.02844	4.5
87.00780	7.7
89.02335	1.8
93.03362	11.5
95.04926	0.5
96.95905	0.6
99.00752	0.9
101.02371	3.0
111.04424	2.1
113.02351	1.8
114.93368	0.5
117.03375	30.3
118.03706	1.3
118.95549	0.4
119.04951	20.6
120.05251	0.7
127.03939	0.8
133.02863	0.9
134.03682	1.8
135.04433	2.0
137.02390	0.7
141.23700	0.6
143.04964	8.3
145.02895	100.0
146.03232	4.9
149.04485	0.6
155.03445	1.5
158.03711	1.0
161.02414	1.3
161.04570	1.2
163.03966	34.5
164.04318	1.7
173.04517	11.9
173.06000	1.3
175.03983	1.2
175.07674	0.7
177.01930	0.6
178.02667	1.3
179.03448	0.8
186.06805	1.4
187.03989	16.2
187.07602	3.2
188.04424	1.4
191.05592	27.7
192.05949	1.2
193.05038	0.7
193.27493	0.4
195.08121	1.0
200.18059	0.6
201.05618	1.4
202.06213	0.7
203.07109	1.9
204.07919	0.6
205.08612	0.7
206.52232	0.5
211.13371	0.6
214.06293	2.8
215.07074	2.0
229.08713	2.1
230.09456	1.8
231.10295	0.5
232.07335	0.9
233.06540	0.8
233.08479	0.9
247.09810	1.5
248.10443	1.0
256.07541	0.5
274.08514	2.0
286.77380	0.5
311.13049	0.7
327.16058	1.7
331.17651	1.0
336.16132	0.5
338.02161	0.6
345.17142	2.2
353.13992	1.0
371.15070	1.9
372.15759	0.6
389.16113	6.2
390.16507	1.0
503.32047	1.2
519.22485	59.6
520.22931	10.4
545.20435	2.3
546.20886	0.6
563.21326	8.3
564.22192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75570	0.3
56.85802	0.3
59.01265	3.8
63.15042	0.3
66.43309	0.3
70.48515	0.8
71.01274	0.7
85.02832	0.7
101.02356	0.8
105.03362	0.6
107.04922	0.3
117.03391	0.8
132.02107	2.1
133.02879	38.8
134.03265	1.3
135.04451	11.4
137.02373	0.4
159.04437	0.5
161.02388	100.0
162.02736	4.8
175.07076	0.3
179.03450	6.9
180.03683	0.5
203.03288	0.4
219.02950	0.3
381.08466	1.5
477.21295	2.4
478.21741	0.5
490.45306	0.3
519.22449	48.9
520.22778	8.2
535.09912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	4.8
61.98707	0.4
63.04615	0.3
68.35146	0.3
70.49136	0.5
70.49526	0.5
71.01277	1.3
73.02824	0.4
74.85401	0.2
82.80836	0.3
82.95306	0.3
83.62616	0.3
85.02841	0.5
96.95940	0.4
101.02361	0.5
105.03375	0.4
107.78175	0.3
109.02900	0.8
113.02391	0.3
117.03422	0.6
119.74168	0.2
132.02090	2.1
133.02884	34.2
134.03159	1.3
135.04453	8.5
136.04753	0.4
137.02365	0.9
139.03963	0.4
159.04440	0.3
160.01683	0.3
161.02390	100.0
162.02727	5.4
178.02716	0.3
179.03465	4.5
191.05632	0.6
203.03574	0.4
214.19611	0.2
239.26563	0.3
299.01996	0.6
370.19113	0.3
380.04779	1.1
380.54745	0.5
463.26416	0.3
463.32794	0.3
477.21411	3.2
478.21829	0.6
482.14188	0.6
503.44894	0.3
519.22461	65.3
520.22797	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	563.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.7
61.98699	0.5
62.86349	0.3
69.03373	0.3
70.86565	0.8
71.01268	1.4
73.02834	0.7
78.95770	0.3
89.02344	0.6
89.03859	0.4
96.95922	2.0
96.96896	0.2
101.02338	0.6
105.03352	0.8
113.02365	0.5
117.03385	0.7
132.02092	2.3
133.02882	36.4
134.03207	1.4
135.04456	9.7
136.04776	0.5
137.02379	0.6
145.02881	0.9
159.04448	0.8
161.02390	100.0
162.02728	4.8
162.04018	0.5
173.04430	0.3
179.03467	4.9
191.05603	0.5
203.03477	0.4
211.23380	0.3
247.37622	0.3
279.20023	0.3
284.79520	0.2
367.05630	0.3
477.21408	2.6
478.21643	0.4
503.23013	0.5
519.22467	56.9
520.22803	10.0
561.50562	0.3
563.21320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	5.4
61.98706	0.8
69.99380	0.5
69.99779	0.6
71.01267	1.3
73.02838	0.5
73.37004	0.2
78.95779	0.2
85.02849	0.7
87.00777	0.3
89.03832	0.3
93.03346	0.5
101.02344	1.1
105.03376	0.4
112.91235	0.3
113.02354	0.5
117.03375	0.3
124.34079	0.2
132.02087	1.4
133.02885	29.7
134.03337	1.1
135.04451	7.8
136.04796	0.5
137.02370	0.7
159.04459	0.7
160.01567	0.3
161.02396	100.0
162.02744	4.9
173.04514	0.3
175.03899	0.3
178.02751	0.3
179.03468	5.3
180.03778	0.4
191.05547	1.0
194.56494	0.2
203.03505	0.4
215.07077	0.4
245.43307	0.3
247.09967	0.2
271.35706	0.2
313.24750	0.3
477.21378	4.0
478.21756	0.6
519.22498	66.2
520.22791	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41333	0.2
55.91876	0.2
56.38926	0.2
59.01268	7.2
59.46239	0.2
70.47105	0.5
71.01279	1.6
73.02838	0.5
73.56364	0.2
77.03812	0.2
80.21474	0.2
83.01269	0.5
84.94926	0.2
85.02839	0.9
89.60635	0.2
93.03335	0.2
101.02335	1.1
101.40121	0.2
105.03372	0.7
113.02366	0.7
115.01797	0.3
115.39948	0.2
117.03376	0.6
117.41586	0.2
123.04476	0.2
132.02104	1.8
133.02885	36.3
134.03281	1.7
135.04456	8.7
136.04779	0.4
137.02382	0.7
139.03920	0.3
150.03169	0.2
159.04399	0.3
161.02394	100.0
162.02744	5.6
163.02882	0.6
178.02678	0.3
179.03459	4.3
180.03850	0.3
191.05678	0.3
203.03535	0.5
258.23706	0.2
299.02115	0.2
380.04855	0.2
380.54617	0.3
401.47009	0.2
461.24448	0.2
477.21384	3.4
478.21674	0.7
519.22467	70.0
520.22827	12.2
520.31006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83256	1.0
54.58844	0.9
55.01761	1.9
58.00481	1.5
59.01265	100.0
60.01602	1.0
69.03333	1.4
69.96510	1.0
71.01271	41.1
72.99212	1.7
73.02837	49.3
75.00727	1.4
78.95784	6.2
83.01276	15.4
85.02837	8.3
87.00747	3.3
89.02337	11.6
93.03339	2.1
95.01273	3.8
96.95933	5.7
96.96854	6.4
97.02856	1.5
99.00795	1.7
101.02346	47.4
102.02706	1.3
104.53780	0.9
108.02102	2.1
109.02851	2.6
113.01622	1.8
113.02357	21.7
119.03433	6.4
119.04951	1.2
121.02864	4.4
122.03561	1.1
123.04451	2.1
125.02364	2.8
131.03412	3.3
133.02881	3.0
135.04388	5.0
137.02316	1.0
143.03464	4.8
149.02496	1.3
149.04520	5.3
151.00256	1.9
155.03418	2.7
159.04439	3.1
160.05240	8.8
161.02448	8.4
161.04492	13.9
161.05983	3.5
171.04520	1.3
172.05237	5.0
173.04486	3.7
173.06046	2.7
175.03928	1.4
175.07584	2.3
177.01811	1.4
179.03490	2.2
179.05600	1.5
186.10612	1.0
187.07610	1.8
189.05582	8.1
190.06306	10.6
191.05544	3.5
199.04016	1.3
205.08687	9.1
218.05598	1.0
221.06541	1.6
227.03484	2.0
229.01378	1.5
233.09538	6.3
243.03032	4.3
255.02982	7.3
271.02560	11.8
272.03162	1.7
281.08081	2.2
296.10632	5.4
299.02023	24.0
300.02728	10.6
304.04538	1.0
311.12930	6.8
314.04416	10.9
315.05133	30.8
316.05386	2.3
327.12387	1.5
329.13950	1.1
341.14005	39.4
342.14474	5.3
357.13446	1.7
381.28778	1.3
383.96310	1.3
401.12473	1.6
467.47888	1.0
503.19287	13.0
504.19888	1.8
519.11481	13.7
520.12054	2.3
521.20184	3.0
563.21173	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46183	0.2
54.86418	0.2
55.01772	0.3
55.48704	0.2
57.03330	0.4
59.01266	2.9
69.03325	0.2
70.19347	1.0
71.01267	5.6
72.99194	0.3
73.02839	1.9
83.01283	0.9
85.02842	2.5
87.00768	0.3
89.02341	1.0
89.03910	0.3
91.05404	0.4
93.03365	0.7
97.02862	0.6
98.19819	0.2
99.00813	0.5
101.02344	4.0
105.03356	0.5
106.04136	0.3
107.04946	1.7
107.51931	0.2
108.02077	0.3
113.02356	1.9
114.02556	0.2
115.01845	0.3
115.03981	0.2
117.03374	1.6
123.04430	0.5
123.87698	0.2
132.02061	2.0
133.02882	29.0
134.03709	6.5
135.04448	100.0
136.04781	4.9
137.02348	0.3
143.03470	0.5
159.02943	0.4
161.02388	78.7
162.02734	4.1
173.04527	0.5
179.03458	62.7
180.03784	3.3
191.05594	2.4
242.91766	0.2
269.10437	1.3
271.02557	0.2
283.02612	0.2
323.40271	0.3
339.05005	0.3
353.08673	0.4
401.14572	1.6
446.51077	0.3
563.17816	68.7
564.18146	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
57.03348	0.4
58.00477	1.5
59.01266	100.0
60.01600	1.1
60.99190	4.5
64.95145	0.4
69.03355	0.6
70.75184	0.9
71.01270	17.3
72.99199	34.4
73.02835	1.0
73.99541	0.6
75.00762	6.3
76.98679	0.6
78.95790	1.8
79.39670	0.3
83.01280	0.9
83.04949	0.2
85.02850	4.5
85.59481	0.3
86.03143	0.3
87.00771	6.7
87.01280	0.5
88.98720	0.4
89.02338	45.7
90.02682	0.8
93.03355	0.5
95.01285	0.6
96.96870	1.1
97.02853	0.6
99.00784	2.0
101.02348	5.1
105.01838	2.6
108.02053	0.4
109.02831	0.4
111.00759	0.6
112.96814	0.3
113.02363	4.3
115.00288	11.6
115.03922	0.4
117.01859	23.6
118.02213	0.6
119.03426	2.8
125.33026	0.3
127.00262	0.4
129.01825	0.6
131.03387	0.7
133.01357	39.6
134.01711	1.1
135.02939	4.8
143.03442	1.2
145.01366	19.1
146.01726	0.4
147.02969	0.3
149.04504	0.9
152.01024	0.4
161.00882	7.5
161.02266	0.4
161.04535	1.0
162.01169	0.4
173.00844	0.8
177.04193	0.5
177.06076	0.6
177.07651	11.8
178.06458	0.3
178.07927	0.6
179.03331	0.4
179.03989	0.4
179.05565	3.9
179.06975	0.6
181.04984	0.3
191.05602	4.2
193.08588	0.3
194.05812	0.8
209.08130	1.1
219.05086	3.5
220.05434	1.3
221.03090	18.3
221.06717	10.2
222.03326	1.0
222.06953	0.5
249.07735	0.3
265.07132	0.4
267.09946	1.7
277.07251	0.4
295.10513	0.7
310.61472	0.3
323.09927	1.5
337.09293	0.5
341.10971	10.5
342.11194	0.9
343.11304	0.4
410.56186	0.3
427.12103	0.5
503.16306	9.0
504.16693	1.1
563.16333	4.9
564.16858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1788
Annotation	Dracunculifoside H
Peak:m/z	Relative Intensity
50.95987	0.2
55.01769	0.3
57.03349	0.5
59.01268	7.1
59.65981	0.2
61.98727	0.3
62.10317	0.2
63.65573	0.2
66.35870	0.2
67.01784	0.5
69.03359	0.5
69.30340	2.1
71.01275	8.4
71.04903	0.2
72.01598	0.2
72.99219	0.6
73.02834	3.7
75.00758	0.3
76.42705	0.2
77.03889	0.3
78.95817	0.8
81.03366	0.2
83.01283	1.3
85.02845	4.3
86.00016	0.2
87.00780	1.9
89.02346	3.1
89.03860	0.2
93.03363	2.5
93.03928	0.3
95.01292	0.5
96.95919	3.1
96.96868	0.5
97.02875	0.7
99.00790	1.6
101.02348	5.5
102.02694	0.2
102.12029	0.2
105.03390	0.6
107.04974	0.4
109.02858	0.3
111.00781	0.2
111.04443	0.7
111.10925	0.2
113.02359	2.8
113.46771	0.2
117.03395	1.5
119.03432	0.2
119.04932	0.5
121.02877	0.5
123.04449	0.6
125.02382	1.0
125.03189	0.2
127.03923	0.5
129.01881	0.2
131.03342	0.4
132.02103	1.4
133.02892	29.3
134.03598	1.3
135.04462	14.6
136.01611	1.5
136.04810	0.8
137.02245	0.7
138.02055	0.3
139.03900	0.2
143.03433	0.4
145.02908	0.5
146.03699	0.3
149.04558	0.9
149.05957	0.2
151.03975	1.9
152.04311	0.8
153.04370	0.3
155.03430	0.6
159.02966	0.5
159.04362	0.2
161.02402	100.0
162.01338	0.3
162.02721	6.2
163.03992	0.7
164.04657	0.2
165.12823	0.3
168.30907	0.2
173.04533	3.4
177.01883	0.4
177.05560	0.2
178.02740	0.2
179.03467	7.6
179.07089	0.7
180.03841	0.4
183.03360	0.2
184.63322	0.2
187.07571	0.2
191.05588	10.1
192.05927	0.7
194.35645	0.2
214.92691	0.2
217.26483	0.2
225.09152	0.3
233.06599	0.4
233.09503	0.2
233.65437	0.2
239.07158	0.4
253.08905	0.2
255.13931	0.5
267.06897	0.3
269.07864	0.2
269.10400	1.0
281.08350	1.0
282.09015	0.2
283.09930	0.4
283.13498	1.0
284.13657	0.2
293.08792	0.7
295.09726	0.4
298.11850	0.3
299.09525	0.2
301.75067	0.2
309.15149	0.3
310.15289	0.2
311.09634	0.3
311.13049	1.0
314.08038	0.2
314.11667	0.5
326.11661	0.7
327.12372	0.5
327.16113	1.1
329.14044	0.8
334.21295	0.2
341.13968	0.6
353.13849	1.2
355.12253	0.3
357.13638	0.9
358.13950	0.9
359.14194	1.3
371.15002	2.0
383.11417	0.5
389.16248	0.5
401.14746	2.1
402.14993	0.3
455.13712	0.3
458.15829	0.4
470.16089	0.4
473.18454	1.8
473.61499	0.2
474.18719	0.4
476.16965	0.7
485.18411	2.2
486.18918	0.3
488.16580	0.4
491.19342	2.1
492.19678	0.2
503.19226	2.8
503.25330	2.0
504.25800	0.3
533.20483	3.2
534.20526	0.7
545.20471	2.7
546.20758	0.6
563.17828	47.4
564.18140	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	563.1783
Annotation	Dracunculifoside H
Peak:m/z	Relative Intensity
51.59808	0.2
55.01763	0.5
57.03341	0.5
59.01264	5.3
61.98726	0.7
69.03342	0.4
70.96766	0.5
71.01268	7.0
72.99201	1.7
73.02833	3.2
75.00771	0.3
78.95798	0.2
83.01273	1.2
85.02840	3.9
87.00767	0.4
89.01847	0.2
89.02335	1.1
89.03872	0.3
91.05447	0.5
93.03363	1.1
95.01288	0.7
95.04931	0.3
96.95895	0.9
96.96867	0.2
97.02847	0.3
97.93752	0.2
99.00782	1.6
101.02345	5.7
105.03377	0.3
106.04141	0.4
107.04933	2.1
109.02869	0.5
113.02357	3.7
117.03361	1.6
119.04881	0.3
121.02867	2.5
123.04462	0.3
125.02386	0.3
131.03421	0.3
132.02112	0.8
133.02878	17.3
134.03685	7.3
135.04445	100.0
136.04779	4.7
137.02347	0.5
145.02892	0.6
148.03976	0.2
159.02939	0.6
160.01491	0.3
161.02383	49.6
161.04547	2.8
162.02701	2.4
163.03986	0.2
165.05507	2.4
173.04512	0.6
175.03961	0.3
178.02655	0.2
179.03455	60.4
180.03783	3.4
191.05571	3.3
193.05014	0.4
214.48062	0.2
255.03021	0.3
267.06903	0.2
269.10422	1.4
271.02551	0.2
279.06696	0.4
285.04074	0.3
286.04410	0.3
291.06586	0.3
300.02637	0.3
307.06219	0.4
327.10864	0.2
337.10889	0.8
339.05206	0.3
353.08997	0.4
365.19614	0.4
387.16452	0.3
401.14600	2.0
441.14056	1.5
491.27835	0.2
503.25360	0.5
520.27789	0.4
563.17780	48.2
564.18140	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	563.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59808	0.2
55.01763	0.5
57.03341	0.5
59.01264	5.3
61.98726	0.7
69.03342	0.4
70.96766	0.5
71.01268	7.0
72.99201	1.7
73.02833	3.2
75.00771	0.3
78.95798	0.2
83.01273	1.2
85.02840	3.9
87.00767	0.4
89.01847	0.2
89.02335	1.1
89.03872	0.3
91.05447	0.5
93.03363	1.1
95.01288	0.7
95.04931	0.3
96.95895	0.9
96.96867	0.2
97.02847	0.3
97.93752	0.2
99.00782	1.6
101.02345	5.7
105.03377	0.3
106.04141	0.4
107.04933	2.1
109.02869	0.5
113.02357	3.7
117.03361	1.6
119.04881	0.3
121.02867	2.5
123.04462	0.3
125.02386	0.3
131.03421	0.3
132.02112	0.8
133.02878	17.3
134.03685	7.3
135.04445	100.0
136.04779	4.7
137.02347	0.5
145.02892	0.6
148.03976	0.2
159.02939	0.6
160.01491	0.3
161.02383	49.6
161.04547	2.8
162.02701	2.4
163.03986	0.2
165.05507	2.4
173.04512	0.6
175.03961	0.3
178.02655	0.2
179.03455	60.4
180.03783	3.4
191.05571	3.3
193.05014	0.4
214.48062	0.2
255.03021	0.3
267.06903	0.2
269.10422	1.4
271.02551	0.2
279.06696	0.4
285.04074	0.3
286.04410	0.3
291.06586	0.3
300.02637	0.3
307.06219	0.4
327.10864	0.2
337.10889	0.8
339.05206	0.3
353.08997	0.4
365.19614	0.4
387.16452	0.3
401.14600	2.0
441.14056	1.5
491.27835	0.2
503.25360	0.5
520.27789	0.4
563.17780	48.2
564.18140	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	562.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.3
61.98719	1.4
68.10807	0.4
69.57169	1.1
69.57591	1.8
78.95801	9.6
85.06508	0.7
121.23270	0.4
126.20898	0.3
140.01132	3.1
146.80061	0.4
151.05226	0.3
152.99539	1.1
153.12886	0.4
155.14362	0.8
163.11195	0.5
164.69945	0.4
165.12791	1.8
174.07181	0.4
181.12329	1.0
191.05574	0.7
196.03821	1.6
199.13385	23.3
200.13725	1.6
214.04898	3.5
263.20236	0.7
279.19717	3.4
280.20047	0.5
347.26004	6.2
348.26343	0.9
363.25415	0.6
365.27048	100.0
366.27426	15.2
366.32098	0.6
378.14859	0.5
562.31653	27.8
563.32056	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1051
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.87037	1.0
59.01263	37.5
61.98712	1.8
69.34512	1.0
69.34853	11.9
71.01259	12.3
73.02832	12.4
76.82982	1.0
78.95794	6.2
79.95641	1.4
83.01292	3.8
83.84748	1.1
85.02840	3.4
87.00774	1.1
89.02325	5.8
93.03357	2.5
95.01297	1.5
96.95912	41.0
96.96836	8.5
99.00796	1.2
101.02338	14.2
108.02126	1.3
109.02811	1.3
113.02353	6.2
119.03401	1.2
121.02956	1.4
126.90324	1.5
131.03380	1.3
133.02892	4.0
134.03714	1.2
135.04424	5.7
137.02359	2.0
139.53107	1.1
143.03427	2.5
145.02954	2.2
149.04527	1.8
150.17145	1.0
151.00311	4.0
151.03958	1.8
160.05321	1.4
161.02356	11.0
161.04520	3.5
162.02882	1.3
163.00351	2.2
163.03963	2.2
172.05347	1.4
173.04504	4.1
175.03914	1.6
177.01929	1.7
179.03465	3.6
183.04463	1.8
189.05518	2.7
190.06271	2.0
191.05574	10.3
199.03972	4.9
205.08780	1.4
215.03412	1.5
227.03526	6.4
229.01546	1.4
233.09509	3.6
243.03003	16.5
244.03647	2.0
255.03038	17.4
271.02539	33.5
272.03134	5.1
281.08017	1.5
296.10593	1.5
299.02039	63.3
300.02771	29.2
301.03204	4.3
311.13123	1.9
314.04385	37.9
315.05161	100.0
316.05502	6.9
339.05484	1.8
341.13989	10.2
401.12607	2.0
412.45956	1.4
461.10815	1.3
470.96854	1.3
485.18286	1.5
503.18967	4.0
503.84778	1.2
519.11591	49.2
520.11737	6.8
563.17908	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62833	0.9
55.01776	1.3
57.03331	2.4
58.00486	2.7
59.01266	67.4
60.01592	1.5
67.01766	1.4
69.41360	10.1
71.01271	48.1
72.99197	2.6
73.02843	15.0
75.00770	2.7
78.95795	8.4
83.13497	1.0
85.02856	12.8
87.00786	5.0
89.02342	100.0
93.03377	10.1
96.95924	12.4
96.96871	7.2
97.02866	2.4
99.00783	31.5
101.02348	43.6
107.97324	1.2
108.02087	1.4
109.02895	1.9
111.00821	1.7
111.04426	2.6
113.02361	11.8
117.97252	2.4
119.03460	3.6
119.04937	6.7
120.05335	1.3
125.02383	4.0
125.69945	1.1
131.03433	18.7
133.02847	2.9
134.03673	10.1
135.04489	2.6
136.01559	2.6
137.02386	4.1
143.03458	4.5
145.02933	2.7
149.04500	96.9
150.04819	3.6
151.03943	7.5
151.41727	1.4
152.01038	1.2
155.03468	4.0
160.01622	2.8
161.02432	1.8
161.04543	4.9
163.03952	7.7
164.04263	2.4
173.04532	13.3
175.03989	3.8
177.01802	1.2
185.06123	1.3
191.05597	48.2
191.07317	2.6
192.05920	3.8
193.05038	9.3
194.05330	1.7
195.38675	1.2
196.83141	1.1
197.90755	1.3
211.06094	1.9
213.05675	1.9
214.05898	1.3
221.06694	10.3
233.09494	4.9
241.05159	6.7
242.05461	7.3
243.05669	5.3
251.07794	7.3
256.07483	4.7
257.07730	3.8
258.08072	2.7
267.07217	2.9
268.07520	1.2
271.09827	13.3
272.10168	14.1
273.10376	15.5
281.08896	1.4
293.08820	3.9
311.09933	7.7
327.08917	2.0
339.12473	1.5
349.09384	9.5
356.12283	1.3
357.12823	2.1
385.11432	1.8
561.15472	3.7
561.24548	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	561.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	0.2
55.84447	0.2
59.01264	3.1
61.98711	0.2
62.93106	0.2
69.88200	0.3
69.88622	0.7
71.01267	1.3
73.02836	0.6
85.02843	0.5
89.02358	0.3
89.03880	0.2
96.95913	0.3
97.40705	0.2
101.02320	0.9
105.03365	0.5
113.02354	0.4
115.01774	0.3
117.03387	0.7
123.04456	0.2
132.02098	1.9
132.03014	0.3
133.02882	35.1
134.03267	1.3
135.04453	8.9
136.04776	0.5
137.02379	0.6
139.03920	0.2
144.43178	0.2
149.06091	0.2
159.04469	0.6
161.02391	100.0
162.02719	4.9
168.08342	0.2
177.05527	0.4
179.03467	5.7
180.03784	0.4
191.05605	0.3
203.03485	1.0
221.04553	0.2
266.79443	0.2
407.67374	0.2
475.19821	3.3
476.19955	0.3
517.20898	60.0
518.21240	12.0
518.32739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
59.01264	6.2
61.98707	0.9
66.75677	0.2
71.01264	1.6
73.02824	0.6
83.01266	0.3
85.02864	0.7
87.00753	0.3
89.02351	0.4
89.03844	0.4
93.03368	0.3
96.95906	0.5
99.00822	0.4
101.02347	1.1
105.03406	0.2
112.97040	0.2
113.02339	0.7
117.03371	0.6
120.39548	0.2
121.02914	0.2
121.23961	0.2
127.71259	0.3
132.02101	2.3
133.02879	38.1
134.03271	1.3
135.04453	8.9
136.04819	0.4
137.02373	0.6
159.04411	0.8
160.01634	0.3
161.02386	100.0
162.02728	6.0
179.03459	4.7
191.05629	0.5
197.02110	0.2
203.03471	0.7
255.19656	0.4
284.04785	0.2
298.18735	0.2
359.66095	0.2
417.24966	1.2
459.26028	0.7
475.19733	2.8
476.20111	0.5
517.20874	59.6
518.21179	10.4
561.28912	2.3
562.29724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00990	0.3
59.01267	3.6
59.99216	0.2
61.98706	0.2
71.01275	1.1
73.02850	0.5
83.01286	0.2
85.02840	0.6
89.02375	0.4
89.03889	0.3
101.02335	0.8
105.03349	0.4
113.02346	0.3
117.03387	0.7
118.27554	0.2
123.04420	0.2
132.02092	1.9
133.02884	37.2
134.03268	1.2
135.04453	9.8
136.04785	0.4
137.02365	0.7
139.03926	0.2
151.11250	0.4
159.03117	0.1
159.04422	0.8
161.02394	100.0
162.01335	0.2
162.02722	5.0
163.03929	0.2
177.05467	0.2
177.61192	0.1
178.02702	0.4
179.03455	5.8
191.05743	0.2
203.03503	0.6
307.79568	0.2
475.19839	2.7
476.20108	0.2
517.20898	57.0
518.21265	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	561.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62704	0.2
59.01266	4.4
64.14512	0.2
69.90224	1.1
71.01267	1.5
73.02849	0.4
85.02860	0.8
101.02351	0.7
105.03372	0.5
113.02316	0.5
117.03381	0.5
124.35513	0.3
129.94313	0.3
132.02107	1.4
133.02884	35.3
134.03224	1.3
135.04443	9.5
136.04822	0.7
137.02374	0.5
159.04469	1.1
161.02388	100.0
162.02730	5.5
179.03461	6.1
180.03828	0.4
187.48929	0.3
203.03592	0.6
211.92166	0.3
246.73509	0.3
275.60245	0.3
295.42950	0.2
381.08026	0.4
475.19818	2.1
483.86664	0.3
509.87143	0.2
517.20886	51.1
518.21204	10.2
528.31866	0.3
561.26923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98201	0.2
55.01788	0.5
56.07936	0.2
57.03333	0.5
59.01266	9.0
59.09221	0.3
64.13430	0.2
67.01787	0.8
69.03365	1.0
71.01273	6.2
71.63013	0.5
72.99225	0.5
73.02843	3.1
75.00763	0.4
78.95818	1.1
81.03384	0.5
83.01291	1.0
83.04956	0.3
84.02068	0.4
85.02852	4.6
87.00778	2.0
89.02332	3.3
93.03362	7.0
93.03918	0.4
94.03725	0.3
95.01285	0.7
96.95937	1.0
96.96879	0.7
97.02839	0.4
99.00781	1.5
99.04421	0.5
101.02347	4.4
105.03349	0.5
108.02084	1.3
109.02879	1.8
111.00805	0.5
111.04456	1.0
113.02372	2.8
116.92783	0.5
117.03404	0.4
119.03452	0.4
119.04937	1.3
121.02879	5.4
122.03676	2.6
123.00812	0.7
123.04455	0.9
124.01615	0.5
125.02369	0.8
127.03950	0.9
131.03456	0.4
132.02116	0.5
133.02887	3.1
134.03694	1.6
135.04442	2.5
136.01599	70.5
137.02232	2.8
139.03934	0.5
143.03481	0.3
145.02905	0.5
145.06575	0.4
147.04364	0.3
148.62279	0.2
149.02419	0.5
149.04536	0.7
149.06046	0.9
151.03955	98.8
152.04298	4.7
154.02701	0.5
155.03407	0.4
159.04489	1.2
160.01567	1.4
160.05225	1.2
161.02396	4.2
161.04532	1.0
161.05910	0.3
162.03177	1.2
163.04002	2.2
164.04366	0.3
173.04553	3.0
173.05969	0.6
175.03949	0.9
175.07620	1.3
176.04688	0.3
177.01921	3.6
177.05556	1.6
178.02646	0.6
179.03510	1.5
187.04012	0.3
188.04706	0.5
189.05592	0.5
191.05589	26.6
192.05954	1.1
193.04962	0.4
195.06674	0.5
200.65382	0.3
203.07127	0.4
215.05553	0.9
241.04861	0.3
245.04485	0.3
255.03069	0.5
267.06747	0.3
281.08249	0.3
283.02563	0.3
296.10583	0.4
309.07941	0.4
309.11377	0.3
311.13000	0.5
315.05286	0.4
327.08905	0.5
337.09583	0.4
339.12421	0.6
342.11145	4.9
343.11459	0.8
343.27078	0.3
351.07361	2.5
357.13519	100.0
358.13885	11.4
369.09860	4.4
370.10022	0.3
387.10822	0.3
501.30783	0.8
517.26404	0.3
536.10748	0.3
543.24298	0.7
561.16315	1.7
561.25476	10.6
562.16754	0.7
562.25958	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.8
57.03327	2.5
59.01264	12.6
67.01773	0.8
68.92692	0.5
69.03345	5.1
71.01266	9.5
71.24588	1.2
72.99205	1.1
73.02816	1.2
78.95819	1.3
80.57167	0.6
81.03340	1.0
83.01286	2.2
83.02427	0.6
83.04927	1.4
85.02842	11.1
87.00772	40.5
88.01094	1.1
88.41438	0.6
89.02337	8.8
93.03356	0.7
95.01302	0.9
96.95918	1.8
96.96857	3.5
97.02836	5.6
99.04412	0.9
101.02328	7.0
109.02805	1.0
111.00797	6.0
111.04413	2.0
113.02358	3.4
113.95279	0.5
115.00281	0.7
119.03423	1.5
120.53727	0.5
120.95843	0.6
129.01860	6.7
131.03418	0.7
141.01860	2.9
143.03413	0.7
143.78813	0.7
145.06171	1.2
145.39146	0.6
157.04980	0.8
159.02898	0.7
161.04555	1.6
178.84985	0.5
179.05554	10.2
191.05582	1.4
201.04005	3.0
219.05096	100.0
220.05470	4.5
233.58110	0.6
301.87762	0.7
341.10980	9.9
342.11105	0.8
561.16620	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	561.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.6
59.01269	1.3
61.94157	0.1
61.98736	0.2
65.00188	0.6
65.37403	0.1
66.23103	0.1
67.01783	0.2
68.99718	0.1
69.03355	0.2
71.01275	1.0
71.62694	0.2
72.99194	0.2
73.02858	0.2
75.00761	0.1
78.10029	0.1
78.95798	0.4
79.95653	0.2
80.02563	0.1
81.03352	3.7
82.03690	0.1
83.01282	0.6
83.84908	0.1
85.02861	0.5
85.06459	0.5
87.00790	0.2
87.04407	0.6
89.02359	0.5
93.03367	0.8
95.01299	0.4
95.04933	0.4
96.79782	0.1
96.95922	4.7
96.96825	0.4
97.02866	0.5
99.00784	0.2
99.04453	0.1
101.02358	0.3
107.01302	0.4
107.04979	0.1
108.02084	0.2
109.02869	0.4
109.06509	2.1
111.04430	3.6
113.02379	0.2
113.06004	0.2
119.04936	0.3
120.05309	0.1
121.02877	0.4
122.02392	0.1
122.03661	1.1
123.00807	0.2
123.04412	0.4
123.08098	0.3
124.01620	0.1
125.02377	5.9
126.02735	0.2
127.07602	0.3
131.01324	0.2
133.02815	0.1
133.06441	0.1
134.03615	0.1
135.00876	0.1
135.04471	0.3
137.02391	0.3
139.03922	0.4
143.03473	0.1
149.02400	1.2
149.04472	0.1
149.05969	0.1
151.00314	0.9
151.07599	33.2
152.01035	0.5
152.07930	1.4
153.05487	0.4
159.10275	0.1
161.02370	0.2
161.05992	0.1
163.03975	0.3
163.07600	0.3
165.05585	0.6
166.02663	0.1
167.03473	0.4
173.04510	0.4
175.00340	0.4
177.05525	0.7
178.06149	0.1
179.03450	0.2
179.07019	0.5
191.05611	1.9
191.07182	0.9
193.04939	0.2
193.08711	0.2
194.05879	0.3
195.06627	100.0
196.06964	5.5
201.05592	0.3
203.07169	0.1
207.06651	0.6
208.07391	0.2
209.08208	1.8
216.41591	0.1
219.06644	17.5
220.06995	1.3
221.08257	0.4
231.06627	0.1
233.08423	0.1
234.05408	0.1
237.07713	6.3
238.08113	0.3
249.07741	1.8
250.08098	0.1
261.07751	0.5
279.08792	0.1
297.09824	0.4
302.83701	0.1
321.09723	0.1
325.10870	0.1
339.10986	1.3
340.11194	0.1
357.11996	15.7
358.12363	1.5
381.12061	0.2
387.10919	0.1
399.13055	12.1
400.13391	1.3
561.24713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.2
59.01266	2.4
67.01778	0.5
69.03360	0.3
70.56812	0.7
71.01256	1.3
72.99196	0.3
73.02836	0.4
78.95788	0.6
81.03347	0.6
83.04910	0.4
85.02841	9.7
86.03185	0.4
87.00776	3.0
89.02340	0.5
93.03356	5.1
94.03698	0.3
96.95884	0.8
96.96879	0.3
97.02837	0.5
99.04398	0.4
101.02344	0.4
108.02068	0.3
109.02827	1.1
111.00776	0.3
111.04436	1.6
111.19485	0.2
113.02339	0.6
119.04946	0.3
121.02862	0.3
125.02368	0.3
127.03931	2.5
129.01840	0.2
134.03630	0.8
135.04466	0.4
145.02861	0.3
149.05986	0.2
152.01060	0.2
155.03413	0.6
159.04341	0.4
163.03970	0.3
171.02917	0.6
173.04526	2.3
191.05579	100.0
192.05930	4.5
193.05011	0.4
223.09721	0.2
233.22542	0.3
239.92923	0.2
295.06174	0.5
345.28198	0.3
359.10812	0.3
367.10458	1.3
387.10883	2.5
388.11182	0.3
388.56461	0.2
561.14984	1.5
561.23737	0.4
561.70941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.3
57.03334	0.9
59.01262	4.7
61.98713	0.8
69.03347	0.5
71.01270	3.1
71.59538	0.5
72.99197	35.9
73.02835	1.3
73.99548	0.5
75.32838	0.3
83.01296	0.5
85.02831	1.9
87.00768	0.4
87.03847	0.3
87.50997	0.3
88.98692	0.5
89.02337	1.7
90.43736	0.3
90.74009	0.3
93.03365	1.7
96.95920	0.7
99.00782	0.8
101.02345	1.4
109.02911	0.4
111.00789	0.4
113.02356	5.0
117.03412	1.5
119.04943	100.0
120.05268	4.8
121.02871	27.5
122.03207	0.9
123.04436	0.9
127.43043	0.4
130.49823	0.3
131.03452	1.3
132.05733	0.3
133.02870	1.7
134.03632	0.5
135.04436	2.2
137.02347	0.4
139.03882	0.4
145.02876	6.1
151.03958	0.4
153.01823	0.5
161.02408	3.4
161.04572	0.4
162.03200	2.5
163.03955	79.9
164.04298	3.9
173.04488	1.1
173.05858	0.4
179.03479	1.8
179.74501	0.3
191.05615	2.5
191.07108	0.6
203.47906	0.3
217.04810	0.5
219.06598	1.0
257.06528	0.4
271.02637	0.5
277.07202	3.2
299.02045	0.5
300.02585	0.7
307.08224	1.7
325.09396	1.4
337.09464	0.8
365.08743	0.5
367.10391	0.5
381.08545	0.6
439.12543	36.2
440.12958	4.8
501.30478	0.4
561.16193	13.2
561.29443	0.6
562.16528	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	6.0
61.98706	1.0
63.05862	0.2
69.24358	0.3
69.24582	0.4
69.24988	2.1
71.01279	1.7
72.99181	0.4
73.02838	0.9
75.36820	0.3
83.01269	0.3
85.02846	0.5
89.02345	0.9
93.03362	0.4
96.95922	0.7
99.28551	0.3
101.02374	0.8
105.03378	0.7
112.28725	0.2
113.02357	0.6
117.03379	0.8
119.03413	0.4
132.02115	2.2
133.02881	40.0
134.03287	1.7
135.04451	10.6
136.04788	0.6
137.02374	0.9
139.03906	0.4
145.02939	0.4
158.48067	0.3
159.04466	0.7
161.02388	100.0
162.02748	5.0
163.03903	0.4
173.04575	0.4
179.03458	5.5
191.05602	1.0
195.06537	0.4
203.03459	0.7
363.27130	0.3
385.60748	0.3
475.16257	2.4
501.30869	0.7
507.88046	0.3
517.17261	50.8
518.17615	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	561.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
59.01263	2.9
60.99189	1.1
67.01782	3.3
69.03334	1.2
69.35464	2.9
71.01268	2.4
73.02830	1.0
81.03364	0.8
83.04910	0.9
85.02843	7.9
87.00771	6.3
88.98692	0.6
93.03358	22.3
93.72230	0.3
94.03718	0.5
95.04935	0.6
95.86818	0.3
96.95909	0.5
99.00768	0.6
99.04420	0.6
101.02340	0.5
105.03382	1.0
108.02139	0.4
109.02857	1.9
111.04430	3.7
113.02363	0.5
115.03919	0.3
121.02872	0.7
122.03622	0.4
123.04436	0.4
125.02381	0.5
127.03927	1.7
129.01901	0.9
132.02094	2.7
133.02879	11.0
134.03693	1.6
135.04456	5.9
136.01579	2.9
137.02365	1.5
139.03949	0.3
149.02390	0.4
149.99542	0.4
151.03966	4.3
155.03493	0.7
157.15570	0.3
157.64955	0.3
160.01611	8.7
161.02386	15.5
162.02852	0.6
165.67401	0.3
167.85980	0.3
168.00647	0.4
171.03009	0.4
173.04510	8.9
174.03175	0.7
175.03949	0.6
177.01888	4.3
178.02672	1.5
179.03442	2.2
188.06921	0.3
191.05583	100.0
192.05904	4.4
193.05008	1.0
195.06622	0.8
202.02675	0.5
203.03481	0.3
209.08215	0.3
215.05602	3.9
231.60014	0.3
242.53418	0.3
253.05034	0.3
276.93573	0.4
282.77774	0.3
307.08325	0.6
351.07269	11.8
352.07864	1.4
354.59055	0.3
357.13538	3.1
358.13852	0.6
367.10416	0.7
369.09866	21.2
370.10150	2.2
387.10934	0.8
561.16437	4.9
562.16595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42360	0.3
52.96538	0.3
54.76139	0.3
57.02708	0.4
57.03344	0.6
59.01266	7.9
61.45579	0.3
61.98719	11.7
63.96090	0.3
63.99154	0.6
71.01262	3.3
71.57290	0.4
71.57677	0.4
73.02819	0.9
75.00772	0.4
75.82008	0.3
77.03860	0.3
77.28676	0.3
83.01280	0.8
85.02840	1.9
87.00780	1.1
89.02332	1.6
89.03868	0.3
91.01786	1.3
93.03361	3.2
95.04924	0.3
96.95924	0.8
97.74696	0.3
99.04428	0.6
101.02347	1.6
101.41656	0.3
105.03375	0.4
107.04890	0.5
108.02090	0.3
109.02886	0.6
111.04427	0.7
113.02357	1.2
114.78210	0.4
117.03391	1.3
117.60232	0.4
119.01311	0.6
119.03465	0.7
119.04939	0.9
121.02866	2.7
132.02109	2.2
133.02887	41.5
134.03708	2.2
135.04457	19.9
135.05264	0.3
136.04805	0.9
137.02362	2.8
139.03941	0.5
143.81479	0.3
145.02881	2.3
149.06067	0.4
151.03952	15.9
152.01059	0.5
152.04341	0.6
159.04501	0.9
160.01584	0.6
161.02399	100.0
162.02721	4.6
163.03995	0.7
173.04530	1.3
175.04001	0.6
179.03484	12.4
180.03929	0.4
191.05600	7.4
192.05920	0.4
193.04990	0.9
203.03528	0.8
209.08263	0.6
229.01501	0.4
257.04752	0.6
271.54404	0.3
293.04385	0.4
323.07697	0.7
339.05118	0.8
365.08841	19.6
366.09152	1.9
369.10291	0.4
417.25266	0.6
475.12433	2.3
501.30606	1.6
513.11053	0.3
517.13647	33.5
518.13953	5.8
561.29541	0.9
568.71539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	19.0
61.98714	4.0
71.01260	3.3
71.59480	0.6
73.02831	1.1
78.95813	1.0
85.02836	0.9
87.00744	0.6
89.02328	2.9
101.02372	3.1
108.18069	0.5
113.02351	1.3
119.03436	1.1
161.04478	0.6
196.03780	1.0
235.08281	1.9
253.09320	16.5
263.20212	100.0
264.20526	9.2
277.21835	3.6
300.38699	0.6
374.78360	0.6
474.26505	2.3
559.24115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
59.01266	1.1
61.98681	0.2
65.00210	0.4
66.80939	0.1
68.99693	0.3
69.03342	0.3
70.70884	0.3
71.01269	0.6
78.95757	0.3
79.95625	2.7
81.03349	2.9
83.01253	0.7
85.02844	0.6
85.06490	0.4
87.00737	0.1
87.04428	0.5
89.02334	0.3
93.03358	0.6
95.01279	2.7
95.04906	0.2
96.95913	100.0
97.02858	0.5
97.95854	0.4
99.00780	0.2
99.04427	0.3
100.12051	0.1
101.02319	0.2
102.02759	0.1
107.01305	0.4
107.04902	0.2
108.02071	1.0
109.02852	0.5
109.06497	1.6
111.00817	0.2
111.04420	3.1
111.05136	0.3
113.02342	0.2
113.05997	0.2
119.04971	0.2
121.02843	0.5
122.03679	1.1
123.00808	1.0
123.04427	0.5
123.08070	0.2
124.01504	0.3
125.02367	5.1
127.07578	0.3
131.03383	0.2
133.02875	0.3
135.04424	0.3
137.02374	0.3
139.00275	0.4
139.03943	0.4
140.01050	0.2
149.02383	1.0
151.00323	1.2
151.07588	29.8
152.01100	2.0
152.07938	0.7
153.01840	0.4
153.05531	0.4
161.02367	0.3
163.03951	0.2
163.07579	0.2
165.01828	0.3
165.05568	0.4
166.99791	0.7
167.03468	0.2
167.07076	0.2
168.00581	0.2
173.04449	0.3
175.00363	0.3
177.05553	0.6
178.99883	0.2
179.03474	0.4
179.07074	0.6
191.05580	1.8
191.07164	0.9
193.04895	0.2
193.08684	0.2
194.05775	0.2
195.06604	95.6
196.06946	3.8
207.06602	0.6
208.07399	0.2
209.08208	2.0
219.06631	13.8
220.06978	0.7
221.08154	0.3
237.07701	6.0
238.08000	0.2
243.02917	0.2
249.07689	1.9
255.03053	0.5
261.07715	0.4
267.08841	0.2
271.02545	1.3
297.09964	0.2
300.02792	2.1
301.03387	0.8
315.07431	0.2
339.10941	1.0
357.11969	8.8
358.12421	0.5
381.11978	0.4
399.13025	16.4
400.13477	1.2
429.10614	0.4
447.11176	0.2
448.54102	0.2
463.08987	2.4
464.09177	0.3
561.14709	0.9
562.16016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22938	0.3
51.70271	0.3
57.03345	1.0
59.01263	7.1
61.98705	1.0
69.41427	3.2
71.01262	2.1
72.99212	0.4
73.02856	0.6
77.03848	0.4
83.01269	0.4
85.02851	1.1
86.99760	0.3
89.02338	0.5
93.12949	0.4
101.02367	1.1
105.03398	0.7
113.02355	1.2
117.03361	1.2
127.64182	0.4
132.02087	2.2
133.02881	39.0
134.03242	1.3
135.04453	10.1
136.04770	0.5
137.02376	1.0
145.02846	0.5
161.02391	100.0
162.02756	5.4
163.03926	0.9
178.06232	0.5
179.03450	5.5
180.85153	0.3
191.05675	0.4
203.03539	0.9
221.74254	0.4
242.05412	0.3
250.68503	0.4
336.22787	0.5
337.23752	1.1
365.08765	1.4
365.49139	0.3
415.23465	0.5
473.18173	2.5
515.19342	50.3
516.19623	8.7
523.28967	0.6
559.18073	2.7
559.31885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.4
57.03339	0.6
57.11341	0.3
59.01265	1.5
62.90498	0.3
63.20118	0.3
65.67493	0.4
69.03342	0.7
70.43356	0.8
70.43756	0.7
71.01275	2.7
72.99203	1.3
73.02831	1.1
78.95781	0.7
83.01283	0.6
83.14439	0.3
84.59399	0.3
85.02843	3.7
85.06469	0.6
87.00769	2.2
89.02326	0.6
93.03362	0.9
95.01294	1.0
96.95907	3.5
96.96870	0.4
99.00777	1.1
101.02361	1.2
107.04938	0.4
108.02079	50.3
109.02917	7.8
110.03224	0.4
111.04489	0.5
113.02366	1.8
119.04932	0.9
121.02870	1.1
123.00819	0.7
123.04471	0.7
125.02342	0.6
125.44282	0.4
129.05501	10.2
134.03679	1.2
135.04428	1.6
137.02370	0.8
145.02872	0.7
149.02440	0.5
149.06053	0.5
151.03935	1.1
152.01096	99.2
153.01645	4.8
160.01616	0.6
161.02408	0.5
163.03955	5.5
165.01839	0.4
173.04559	0.3
175.03992	1.4
177.01898	1.0
178.02519	0.4
179.03490	1.0
191.05560	3.0
193.05072	1.1
194.05522	0.5
201.04008	1.1
207.02985	1.2
219.05061	2.5
271.08224	0.4
297.06070	0.6
311.11426	1.1
315.07333	1.1
357.09900	2.1
418.60696	0.4
429.10468	13.3
430.10638	1.2
447.11530	7.8
448.11789	1.3
557.02704	0.4
559.16791	100.0
560.17151	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	558.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
59.01265	14.7
60.01600	1.9
61.01697	1.6
61.98717	100.0
62.98438	0.2
69.03328	0.1
71.01271	2.6
71.58298	0.2
72.01617	0.5
73.02837	0.3
78.95788	0.2
83.01297	0.3
85.02850	0.8
87.00800	0.3
89.02334	2.4
90.02692	0.5
91.02767	0.5
93.03355	0.2
95.01284	0.2
96.95921	0.5
99.00727	0.2
101.02332	1.4
102.02711	0.3
103.02793	0.2
104.66757	0.1
108.27448	0.2
113.02354	1.3
114.02759	0.3
119.03419	1.1
121.03888	0.2
125.02392	0.2
135.04469	0.3
145.02977	0.2
160.54857	0.2
161.02420	0.3
161.04512	0.6
163.05077	0.2
164.43791	0.2
173.04573	0.2
179.03873	0.2
179.05597	0.7
180.05933	0.3
181.06082	0.5
191.05562	1.2
193.05003	0.2
335.22449	0.7
336.22733	1.3
384.79303	0.2
415.19583	0.3
432.75919	0.2
496.26413	0.5
497.26920	0.9
498.27002	3.1
499.28381	0.3
549.23004	0.2
558.29144	0.4
559.23572	0.2
577.97626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	3.6
60.01608	0.5
61.01695	0.4
61.98718	100.0
64.05502	0.1
69.57735	0.9
70.62328	0.1
71.01276	1.6
72.01611	0.3
73.01674	0.2
73.02816	0.2
80.28062	0.1
84.37283	0.1
85.02856	0.4
87.00799	0.1
89.02332	1.3
90.02704	0.2
91.02804	0.3
99.30563	0.2
101.01279	0.2
101.02338	0.8
102.02692	0.2
113.02373	0.5
114.02669	0.2
115.02833	0.2
119.03467	0.3
120.03795	0.2
121.03941	0.2
149.91228	0.2
161.02422	0.1
161.04533	0.5
161.13609	0.1
162.04906	0.2
163.04909	0.2
179.05630	0.1
191.05566	0.2
240.63919	0.1
310.33438	0.2
334.21332	0.3
335.21902	0.4
336.22513	0.5
468.98734	0.1
497.26718	0.3
498.26974	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	558.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42838	0.2
57.03344	0.3
59.01266	5.8
60.96219	0.2
61.24024	0.2
61.98717	100.0
62.98408	0.2
64.72194	0.2
69.03353	0.3
71.01270	2.3
71.59660	0.3
72.99212	0.2
73.02837	0.7
78.95825	0.3
83.01286	0.5
85.02845	0.9
87.00777	0.3
89.02332	1.3
93.03362	0.5
95.01273	0.3
96.95910	0.8
97.06510	0.2
99.00787	0.3
99.04445	0.4
101.02353	1.8
103.66714	0.2
105.03381	0.2
109.02857	0.3
110.63185	0.2
113.02357	1.2
117.03384	0.8
119.03450	0.3
119.04930	0.4
121.02882	0.4
123.04486	0.3
125.02354	0.3
132.02113	1.2
133.02881	21.4
134.03285	0.8
135.04449	6.9
136.04782	0.3
137.02405	0.6
143.03477	0.2
145.02818	0.4
151.07599	0.4
161.02388	82.4
162.02727	5.2
163.03964	0.4
173.04526	0.5
179.03456	4.3
181.70094	0.3
191.05568	1.1
195.06624	1.4
196.06943	0.7
221.15475	0.3
265.14508	0.7
299.02026	0.4
336.22604	0.4
343.43100	0.2
365.08798	0.2
366.09354	0.3
412.21124	0.8
412.71255	0.4
495.22458	71.0
496.22821	11.4
498.27863	0.3
526.99677	0.2
559.21985	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	557.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19263	0.5
56.51068	0.5
57.03325	1.5
59.01265	25.2
60.01601	0.6
61.98719	4.8
67.01788	0.8
69.03345	1.2
70.46638	2.0
71.01265	7.6
72.99210	0.9
73.02815	2.7
78.94221	0.5
78.95795	2.2
79.95628	2.3
83.01279	1.2
83.04896	0.7
85.02831	4.1
86.03151	0.5
87.00767	1.9
88.98689	1.3
89.02338	3.7
93.03361	4.4
96.95914	100.0
97.02872	1.1
97.06467	0.7
98.05996	0.6
98.95485	1.0
99.00783	1.1
99.04417	0.7
101.02358	4.2
102.02668	0.5
108.02092	4.8
109.02892	1.2
109.06539	0.9
111.00797	1.2
111.04441	1.7
113.02369	2.8
114.93307	0.7
116.92742	2.7
117.03391	1.2
119.03442	1.1
119.04920	3.4
121.02903	1.7
123.04404	0.5
127.07576	8.0
127.99355	0.5
128.07889	3.1
129.08052	0.9
132.02087	1.3
133.02898	3.2
134.03593	1.7
135.04483	3.0
136.04832	0.6
137.02365	1.7
145.02896	2.0
149.04530	1.2
149.05975	1.0
152.01106	7.6
153.01859	0.7
155.03412	1.2
159.02954	0.7
160.01578	2.8
161.02406	6.7
161.04510	2.1
161.05913	0.6
162.02713	3.2
163.02806	0.9
163.03993	2.3
171.06631	1.5
172.07007	0.6
173.04538	4.1
175.03946	5.3
177.01862	2.8
179.03456	2.5
179.05574	1.1
187.07599	0.6
191.05585	10.9
192.06091	0.7
193.05072	2.8
195.06580	0.8
201.04095	1.3
211.07657	1.1
243.33954	0.5
249.09239	0.9
265.85965	0.5
327.08676	0.7
353.23410	1.3
358.30594	0.6
379.64008	0.5
415.23380	1.4
429.10342	0.9
431.42386	0.7
447.11456	1.8
497.27328	1.6
519.31946	2.6
521.33417	15.8
522.33740	2.9
539.25385	0.6
557.21027	12.8
557.30969	55.9
558.22791	1.2
558.31378	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19263	0.5
56.51068	0.5
57.03325	1.5
59.01265	25.2
60.01601	0.6
61.98719	4.8
67.01788	0.8
69.03345	1.2
70.46638	2.0
71.01265	7.6
72.99210	0.9
73.02815	2.7
78.94221	0.5
78.95795	2.2
79.95628	2.3
83.01279	1.2
83.04896	0.7
85.02831	4.1
86.03151	0.5
87.00767	1.9
88.98689	1.3
89.02338	3.7
93.03361	4.4
96.95914	100.0
97.02872	1.1
97.06467	0.7
98.05996	0.6
98.95485	1.0
99.00783	1.1
99.04417	0.7
101.02358	4.2
102.02668	0.5
108.02092	4.8
109.02892	1.2
109.06539	0.9
111.00797	1.2
111.04441	1.7
113.02369	2.8
114.93307	0.7
116.92742	2.7
117.03391	1.2
119.03442	1.1
119.04920	3.4
121.02903	1.7
123.04404	0.5
127.07576	8.0
127.99355	0.5
128.07889	3.1
129.08052	0.9
132.02087	1.3
133.02898	3.2
134.03593	1.7
135.04483	3.0
136.04832	0.6
137.02365	1.7
145.02896	2.0
149.04530	1.2
149.05975	1.0
152.01106	7.6
153.01859	0.7
155.03412	1.2
159.02954	0.7
160.01578	2.8
161.02406	6.7
161.04510	2.1
161.05913	0.6
162.02713	3.2
163.02806	0.9
163.03993	2.3
171.06631	1.5
172.07007	0.6
173.04538	4.1
175.03946	5.3
177.01862	2.8
179.03456	2.5
179.05574	1.1
187.07599	0.6
191.05585	10.9
192.06091	0.7
193.05072	2.8
195.06580	0.8
201.04095	1.3
211.07657	1.1
243.33954	0.5
249.09239	0.9
265.85965	0.5
327.08676	0.7
353.23410	1.3
358.30594	0.6
379.64008	0.5
415.23380	1.4
429.10342	0.9
431.42386	0.7
447.11456	1.8
497.27328	1.6
519.31946	2.6
521.33417	15.8
522.33740	2.9
539.25385	0.6
557.21027	12.8
557.30969	55.9
558.22791	1.2
558.31378	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03352	0.5
55.01771	0.7
57.03337	1.3
58.00488	0.8
59.01268	100.0
60.01611	2.0
61.01689	1.1
61.98718	4.6
69.03348	2.6
69.80975	2.7
71.01271	18.7
72.01640	0.5
72.99210	1.7
73.02837	4.2
75.00768	0.8
81.03363	0.8
83.01291	3.9
85.02849	7.4
87.00771	2.5
89.02339	6.9
89.02846	0.7
93.03378	6.4
94.03708	1.7
95.01311	1.6
96.95924	3.8
96.99220	0.8
97.02858	3.1
97.06521	0.6
98.19797	0.5
99.00780	2.5
101.02353	13.9
101.03014	0.8
101.05991	1.2
106.23960	0.4
108.02084	0.5
109.02873	3.1
111.00826	2.2
111.04516	0.5
111.08080	1.0
113.01192	0.7
113.01575	0.5
113.02361	6.2
115.00309	1.0
117.03371	0.7
119.03446	2.5
119.04946	1.2
121.02898	0.5
125.02413	0.8
128.03464	0.5
129.01878	0.6
131.03467	0.5
133.02870	1.1
134.03662	1.0
135.04453	9.6
136.04811	0.6
137.02403	0.9
141.01875	2.1
143.03494	1.2
143.04878	0.5
145.02890	0.6
159.02934	1.2
160.01642	0.9
161.02383	1.5
161.04495	4.9
163.03987	1.3
173.04517	1.5
173.08194	1.1
175.04024	1.2
177.01843	0.5
179.03456	6.3
179.05670	0.5
191.05580	3.2
193.04971	1.1
195.06563	1.6
195.08183	2.8
196.08452	2.4
197.08830	0.8
201.04048	6.2
202.04416	4.5
203.04544	3.8
207.08028	0.6
219.08296	0.7
221.09666	0.7
222.10101	0.9
223.10995	0.6
224.11607	0.9
234.06976	0.5
235.07051	0.6
238.39439	0.5
243.05151	1.8
244.05489	1.3
245.05664	1.4
249.09215	3.3
250.09589	3.3
251.09935	1.8
261.06229	6.9
262.06570	5.2
263.06662	5.3
293.08481	2.3
294.08630	1.7
295.08795	2.3
311.09436	1.5
312.09644	2.0
313.09924	2.3
335.22305	2.8
353.23392	0.6
353.63675	0.5
361.06842	0.9
372.17975	13.5
373.18359	1.2
453.28647	0.8
455.12149	3.7
477.85703	0.5
479.26941	0.7
493.17004	0.6
497.27704	83.2
498.28043	14.0
513.16595	0.8
521.33319	2.4
557.16589	2.7
557.30780	8.5
558.24908	1.8
558.32214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
58.00476	0.3
59.01265	41.6
60.01598	0.3
61.98720	2.0
69.03339	2.6
69.85709	1.2
71.01268	3.3
72.99203	0.4
73.02846	0.8
73.58428	0.2
83.01271	0.4
83.04928	0.3
85.02831	1.4
89.02356	1.8
91.26535	0.2
91.37282	0.2
93.03369	0.9
95.01304	0.3
96.95913	0.8
97.02841	0.4
99.04434	2.1
100.04734	0.3
101.02363	1.7
111.76888	0.2
113.02367	2.1
119.03435	0.8
119.04967	0.5
123.08039	0.2
125.09654	1.0
135.04474	0.4
137.02385	0.4
143.03401	0.5
161.02400	1.0
161.04500	1.2
167.14378	0.6
168.52385	0.3
173.04518	0.5
191.05612	1.9
191.07065	0.3
261.22223	0.7
273.22409	0.5
284.03381	0.3
289.21841	0.3
291.19797	0.4
291.23254	0.6
305.21304	0.6
312.88202	0.3
317.21378	1.6
318.44421	0.2
331.19357	0.7
335.22342	100.0
336.22702	13.2
349.20200	0.6
349.24078	0.5
359.22311	1.1
360.22415	0.3
367.42920	0.2
377.23297	0.7
378.23520	0.3
497.27634	3.4
557.30701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.9
58.58068	0.3
59.01265	62.6
60.01596	1.0
60.99196	0.3
61.98716	5.9
69.03344	3.0
70.98042	0.7
70.98413	0.6
71.01268	4.8
71.04916	0.5
73.02842	1.9
79.95660	0.4
81.03368	0.3
83.01292	0.7
83.04926	0.6
85.02840	2.0
87.00740	0.5
89.02338	2.9
93.03364	0.6
95.01279	0.8
95.04922	0.4
96.95935	0.6
99.00775	0.4
100.87151	0.3
101.02356	4.7
104.06593	0.3
105.03391	0.4
107.04922	0.7
109.06499	0.8
111.08092	0.5
113.02359	3.7
117.03397	1.0
119.03412	1.0
121.06526	1.6
123.08088	4.3
125.09663	0.8
131.03426	0.4
132.02087	1.1
133.02882	14.2
134.03650	0.4
135.04451	7.4
137.02370	1.4
147.11771	0.4
149.13304	3.1
161.02391	51.8
161.04568	1.8
162.02725	3.7
163.11159	0.4
167.14365	0.6
173.04503	0.6
174.68953	0.3
179.03465	4.3
179.05045	0.5
191.05602	1.4
191.14394	3.0
191.97122	0.4
221.15511	0.6
257.19153	0.7
263.15106	1.2
263.23849	3.0
273.22311	2.7
274.22809	0.6
289.21854	1.4
291.23355	3.7
292.23740	0.4
294.14957	0.4
317.21182	0.4
331.19180	1.0
332.19354	0.4
335.22345	100.0
336.22684	12.6
349.20078	0.5
349.24060	0.7
359.22360	4.4
360.22549	0.8
377.23532	1.7
378.23730	0.4
389.23260	0.7
395.19202	0.7
497.27615	2.1
557.22473	30.5
557.29590	1.7
558.22839	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	557.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.2
59.01267	99.5
60.01593	1.2
61.98720	48.5
69.03356	0.5
69.71148	3.5
69.74088	0.5
71.01273	16.1
72.99186	1.2
73.02842	4.1
76.43491	0.5
83.01273	3.1
85.02846	7.9
87.00774	1.8
89.02334	4.9
95.01306	1.2
96.95924	1.8
97.02863	1.5
99.00813	1.8
99.04415	0.9
101.02355	12.7
109.02924	0.8
111.00816	0.6
111.04448	0.6
113.02378	5.8
117.03394	0.8
118.29617	0.5
119.03432	2.3
125.02441	0.9
133.02892	8.6
133.81442	0.5
135.04430	3.5
143.03487	0.8
159.02957	1.0
161.02397	38.9
161.04369	4.4
165.09198	1.0
179.03444	1.8
179.05594	0.9
183.10347	0.8
191.05556	1.3
195.06654	1.6
211.13274	0.7
333.82016	0.5
335.22336	1.9
353.23334	0.6
372.17978	20.7
373.18384	2.4
411.82956	0.6
479.26459	0.8
495.22491	37.5
497.27689	100.0
498.28061	18.4
541.26563	2.7
544.57355	0.6
557.21936	0.6
557.29968	3.2
558.30090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35913	1.6
55.28387	1.4
59.01268	100.0
61.98720	33.4
71.01279	22.0
72.99209	3.2
73.02840	12.0
75.00773	8.0
83.01274	4.2
85.02846	13.6
87.00774	3.4
88.98682	2.4
89.02347	6.5
93.03365	13.4
98.19852	5.1
99.00778	5.0
101.02348	14.0
113.02369	9.9
117.03369	13.1
119.04966	9.5
133.02861	2.0
137.02385	54.4
138.02788	2.7
143.05003	3.0
145.02905	37.1
146.03142	1.7
148.05203	2.8
161.02374	3.1
161.04549	2.0
163.03944	16.9
173.04514	1.9
179.03458	1.9
187.03929	4.9
191.05588	3.2
229.70221	2.0
291.19684	3.3
349.09372	2.0
471.26086	1.6
495.26514	3.8
513.18091	7.7
513.27118	74.8
514.19617	2.0
514.27307	9.2
557.26099	35.2
558.26483	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	557.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.9
55.78312	0.5
57.02861	1.2
57.03357	4.5
59.01267	45.8
60.01583	0.7
61.98719	0.8
63.23748	0.5
68.99675	0.6
69.03352	1.1
71.01270	28.7
71.09030	1.5
72.01602	0.6
72.99203	4.2
73.02839	11.1
75.00765	21.6
79.95121	0.5
83.01281	5.2
84.02036	0.6
85.02847	26.9
86.03152	0.8
87.00776	6.6
87.21404	0.5
89.02353	6.1
89.52848	0.5
93.03340	2.3
95.01308	2.7
99.00787	7.2
99.04401	1.0
101.02355	10.4
111.00797	1.0
112.01554	0.7
113.02356	26.9
114.02708	0.7
115.00270	1.9
117.01837	1.3
119.03427	1.1
125.02319	0.8
129.01691	0.5
131.03407	0.8
134.03581	0.7
135.04414	1.0
137.02379	4.0
143.34015	0.6
145.02931	0.6
161.02411	1.0
161.04451	2.4
173.04482	1.7
175.02397	2.3
189.12267	0.6
191.05554	2.2
212.25352	0.6
263.56683	0.6
291.19669	6.6
322.06949	0.7
335.22363	0.6
376.68085	0.7
439.32294	0.7
471.26196	0.7
495.26254	1.6
513.27173	31.6
514.27576	4.6
557.26111	100.0
558.26508	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	557.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43111	0.7
55.67030	0.6
58.83165	0.6
59.01266	27.8
59.98396	0.7
60.53612	0.5
61.98679	2.0
69.39188	2.6
69.39612	2.8
71.01271	6.8
71.04884	0.8
73.02802	1.9
78.95769	1.2
81.45498	0.7
85.02805	2.6
88.61198	0.6
89.02341	7.0
95.01251	1.3
96.95858	1.0
97.02822	2.8
97.91499	0.6
98.19711	1.1
101.02339	4.5
109.02825	1.0
113.02356	7.4
119.03432	4.5
123.08081	9.9
127.07581	15.1
130.42455	0.7
147.08061	1.7
161.02364	0.8
161.04453	2.7
161.09598	2.0
163.11198	2.2
165.09183	0.8
179.05592	4.2
191.05533	1.1
191.07092	12.7
191.14368	1.6
192.23494	0.6
198.86740	0.7
203.10667	0.7
203.14461	0.9
205.08708	9.8
206.09247	1.4
207.10100	1.0
221.08191	1.4
245.69473	0.7
262.83896	0.6
264.71991	0.6
269.19254	0.9
291.19644	0.9
291.23288	0.9
313.18161	6.5
329.21094	0.7
331.19226	91.3
332.19565	9.9
335.22360	17.4
336.22546	1.3
345.20639	0.8
349.20291	100.0
350.20575	11.8
359.22339	1.4
363.21692	0.9
373.20233	7.9
391.21423	3.9
395.72238	0.6
403.21576	1.2
411.26575	0.6
494.74545	0.7
497.28006	0.7
511.25644	0.9
523.44684	0.7
557.26453	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
57.02904	0.7
57.03358	3.9
59.01268	38.8
61.98714	2.3
68.99692	0.7
69.03344	1.6
71.01276	24.3
72.99217	3.7
73.02839	9.1
75.00362	1.3
75.00769	20.4
78.54266	0.6
83.01276	4.4
85.02846	24.0
86.03191	0.7
87.00774	6.3
89.02349	5.2
92.40429	0.6
93.03340	2.2
95.01292	3.3
96.95925	1.0
97.02851	0.9
99.00789	7.9
99.04396	1.7
101.02348	9.9
103.60077	0.6
111.00786	1.0
113.02370	23.1
115.00291	1.8
117.01819	0.7
118.76028	0.7
119.03449	1.2
119.04942	1.3
125.02357	1.4
133.02956	0.8
135.04478	0.8
137.02403	4.3
161.02460	0.7
161.04506	2.4
173.04608	0.8
175.02446	2.1
191.05579	2.2
198.01878	0.7
226.68266	0.6
233.37389	0.7
238.87602	0.6
253.04875	1.1
291.19754	6.9
292.19989	0.8
335.22427	4.9
340.36124	0.8
362.16284	0.7
413.21887	2.2
439.32065	0.8
455.23215	1.3
471.26398	1.2
495.26218	1.1
513.27179	21.5
514.27527	3.0
557.26154	100.0
558.26489	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	557.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.4
57.03355	0.5
58.00500	0.4
59.01264	50.5
60.01607	0.5
61.98718	3.3
67.62671	0.2
69.03340	2.3
71.01270	7.6
71.04922	0.4
71.57093	0.4
71.78123	0.3
72.99212	0.7
73.02840	2.9
75.00791	0.4
78.95800	0.4
83.01266	1.4
83.04937	0.4
85.02844	3.7
85.99977	0.2
87.00795	0.9
89.02332	2.6
93.03368	1.0
95.01291	0.6
95.03219	0.3
96.95924	0.6
97.06483	0.3
99.00780	1.1
101.02339	6.2
105.03391	0.4
107.04951	0.7
109.02864	0.3
109.06502	0.6
111.08049	0.6
113.02362	3.6
117.03373	1.4
119.03448	0.6
119.04934	0.5
121.02888	0.3
121.06497	1.0
123.04397	0.3
123.08073	3.4
125.02379	0.5
125.09625	0.6
129.01842	0.3
131.03426	0.3
132.02083	1.6
133.02881	28.1
134.03596	1.1
135.04449	13.9
136.04793	0.6
137.02415	1.3
143.03418	0.5
145.02879	0.6
147.08099	0.4
149.06001	0.2
149.13315	2.3
150.13594	0.3
159.02986	0.3
161.02386	100.0
161.04564	2.6
162.02730	5.6
165.05371	0.4
165.12894	0.3
167.14365	0.4
173.04527	0.7
175.03812	0.4
179.03459	7.1
179.05267	0.5
187.11243	0.3
191.05569	1.6
191.14394	2.0
193.04988	0.7
195.06615	0.5
214.90193	0.3
221.15549	0.3
239.18016	0.3
257.19211	0.8
263.15039	1.9
263.23801	2.6
264.15329	0.3
273.22238	2.7
274.22583	0.3
289.21860	1.1
291.23376	2.6
292.23901	0.2
301.18225	0.3
306.33041	0.2
307.22635	0.4
309.23541	0.3
316.10757	0.2
317.21310	0.5
331.19067	0.4
335.22336	69.9
336.22641	7.4
349.20044	0.5
349.23871	0.5
352.22345	0.4
353.22644	0.4
359.22290	3.0
360.22604	0.4
377.23169	1.2
389.23428	0.5
395.19330	1.8
497.27576	2.6
498.27988	0.5
557.22467	55.4
558.14240	0.5
558.22852	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	557.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55484	0.4
57.03342	4.4
59.01267	8.4
61.98718	4.0
65.02374	0.4
70.03834	2.1
71.01270	7.0
72.99210	1.3
73.02834	3.0
77.64286	0.4
78.95797	1.4
81.03358	1.0
83.01273	0.9
83.04922	10.4
85.02850	3.1
87.00779	0.5
89.02353	1.8
93.03367	1.4
95.01292	0.7
96.95910	5.3
97.06470	0.5
99.00813	1.5
101.02346	5.3
107.04908	0.5
109.06519	3.6
111.08069	86.4
112.08389	3.8
113.02384	3.4
116.62794	0.5
119.04916	0.5
120.37464	0.5
121.02899	0.5
129.09135	4.6
132.02127	0.6
133.02907	3.8
134.03659	2.5
135.04463	6.3
136.04782	0.8
137.02361	1.0
139.11249	0.9
143.03419	0.7
151.04012	0.9
155.07062	1.3
160.01569	1.3
161.02408	8.9
161.04465	4.1
162.02742	1.0
171.10196	2.6
173.08150	100.0
174.08507	4.7
175.03999	1.9
179.03470	2.7
180.03963	0.4
191.05585	5.0
192.05974	1.0
193.04988	2.3
198.25110	0.5
201.01712	1.1
211.13428	1.5
229.14455	1.0
243.02992	0.9
269.10370	3.9
271.02448	1.5
272.02805	0.5
285.04178	0.7
287.34665	0.5
313.03604	1.1
314.04327	3.4
315.04602	1.3
329.23318	2.8
335.22263	0.7
353.09006	0.7
401.09830	0.9
401.14621	9.1
402.14893	1.1
490.26923	0.5
497.27228	0.7
533.07288	0.5
557.22223	60.2
558.22412	10.6
567.25568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46863	0.3
51.93373	0.3
59.01259	3.1
60.56117	0.2
61.98716	2.9
68.99705	1.2
69.73036	1.8
71.01270	1.3
73.02846	0.3
78.95810	0.3
83.01219	0.2
84.88894	0.2
85.02839	0.6
85.84245	0.2
93.03371	1.0
98.19880	0.5
101.02333	0.5
113.02350	0.8
115.05476	0.5
117.03378	34.5
118.03723	1.5
119.04943	22.4
120.05314	1.0
121.02913	0.4
133.02885	0.8
135.04468	0.4
137.02388	0.5
143.04964	7.3
144.05254	0.3
145.02893	100.0
146.03239	5.1
147.04469	0.4
148.05243	10.2
149.05640	0.4
161.02393	1.4
161.04489	0.6
163.03963	30.7
163.07581	4.2
164.04320	1.4
164.07948	0.3
179.03357	0.4
187.03990	14.4
188.04373	0.8
191.05629	0.6
273.23224	0.2
349.09360	6.0
350.09784	0.6
513.17780	20.3
514.18103	3.7
557.25598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68180	0.5
55.01773	0.7
57.03342	0.7
59.01266	5.6
61.98718	1.2
69.03336	0.6
71.01276	4.0
71.62515	0.5
71.62893	0.7
71.63247	0.5
72.99203	23.9
73.02840	18.2
78.95815	1.7
80.20090	0.6
83.01291	0.5
83.04915	0.6
85.02851	2.2
87.00779	1.3
89.02362	1.3
93.03359	4.6
96.95956	0.5
96.96869	1.3
97.02882	0.7
99.00819	1.1
99.04419	1.0
101.02373	2.0
105.01842	1.1
111.00862	0.8
111.04433	1.4
113.02357	4.0
117.03407	1.5
117.05498	15.0
118.05875	0.7
118.81796	0.5
119.04947	100.0
120.05288	5.3
121.02858	1.7
130.05019	0.5
133.02913	0.8
134.03670	0.8
135.04442	0.9
137.02313	0.8
145.02884	4.3
149.04521	0.6
155.03459	0.9
159.04474	0.5
162.03200	1.5
163.03961	69.4
164.04269	3.3
167.03429	0.6
173.04533	3.6
173.05865	0.6
179.03435	0.6
191.05563	7.6
211.07724	0.7
226.43993	0.5
244.61752	0.5
277.07315	1.7
307.08551	0.7
325.09372	1.1
327.08786	1.2
333.23370	0.6
381.08096	0.8
439.12531	22.7
439.18478	1.2
440.12854	2.5
457.13602	14.9
458.14151	1.8
474.87695	0.6
493.24313	4.3
494.25241	1.0
499.14792	0.6
511.25909	0.6
513.16248	25.1
514.16577	4.1
539.17780	4.3
557.18805	11.9
558.18933	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06509	0.1
59.01266	1.0
59.12394	0.1
61.98719	100.0
69.81918	0.7
71.01288	0.2
72.32938	0.1
85.02863	0.2
93.03357	0.2
101.02377	0.1
113.02385	0.2
119.04943	0.3
137.02383	0.3
163.03934	0.4
169.12476	0.1
191.05624	0.3
301.90601	0.1
332.19540	0.2
333.20215	0.2
334.19962	0.2
335.22601	0.2
459.83957	0.1
470.19125	0.1
513.27393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83549	0.2
56.12613	0.2
59.01267	21.3
60.01597	1.8
61.01699	0.8
61.98719	100.0
62.98435	0.2
65.84116	0.2
69.44765	1.6
71.01273	3.7
72.01622	0.3
72.69601	0.2
72.99215	0.3
73.01709	0.2
73.02824	0.3
78.95836	0.2
85.02862	0.7
87.00806	0.3
89.02345	4.6
90.02693	0.6
91.43363	0.2
93.03370	0.3
95.01273	0.2
96.01641	0.2
97.02873	0.2
101.02358	2.2
102.02694	0.4
106.11733	0.2
108.02101	0.2
113.02360	1.3
114.02670	0.4
119.03416	2.1
119.04960	0.7
120.03889	0.3
121.02895	1.5
131.03481	0.3
134.03690	0.2
137.02455	0.2
143.03441	0.4
145.02879	0.3
149.04483	0.2
152.01067	0.4
153.01534	0.2
161.02473	0.2
161.04509	0.7
162.04707	0.2
163.04030	0.7
167.03494	0.9
173.04581	0.3
179.05574	1.9
180.05949	0.5
181.06192	0.3
191.05554	1.0
314.18646	0.7
315.19128	0.3
316.19287	0.4
495.26279	0.8
496.26477	5.6
497.26926	0.4
550.68756	0.2
556.29224	0.4
572.70935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18956	0.1
59.01259	0.8
61.98719	100.0
62.03149	0.1
62.98407	0.2
69.67517	0.6
78.64662	0.1
89.02346	0.1
93.03363	0.7
101.02377	0.1
119.41143	0.1
123.61558	0.1
127.55346	0.1
135.96220	0.1
137.02383	1.1
151.03926	0.2
167.69765	0.1
189.12874	0.1
193.00262	0.1
222.69664	0.1
245.93098	0.1
313.18164	0.4
314.18588	0.2
315.18930	0.2
316.19046	0.2
331.19147	0.1
332.19614	0.2
334.20193	0.2
357.13681	0.1
381.55426	0.1
396.04236	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	555.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.3
58.00512	2.5
59.01269	100.0
60.01605	1.9
61.01673	2.7
61.98722	30.7
69.03346	4.7
71.01273	37.5
71.60593	3.3
72.99199	5.2
73.02833	13.2
75.00761	7.6
77.41298	1.9
81.03371	2.0
83.01280	6.8
83.04921	3.5
85.02847	19.6
87.00771	8.6
87.04399	7.0
89.02343	17.3
93.03359	18.3
95.01275	4.2
95.04917	2.1
96.95938	12.5
97.02843	5.5
97.06477	2.3
99.00769	8.3
99.04395	2.9
101.02351	20.8
108.02126	3.0
109.02858	4.1
109.06487	2.8
111.00814	2.3
111.04414	5.7
113.02361	20.4
117.03383	8.4
119.03418	6.7
119.04945	13.6
121.02875	5.4
123.04475	2.7
123.08066	2.1
125.02370	3.6
127.07571	8.5
133.02910	10.2
134.03694	29.2
135.04494	12.7
137.02435	10.5
137.09648	6.4
139.03857	2.4
145.02892	17.9
149.06075	3.0
153.05498	4.3
155.03444	4.9
155.10735	32.5
155.85677	2.6
159.02982	2.8
160.01585	6.1
161.02419	20.9
161.04509	14.2
163.03978	14.5
169.12247	2.7
173.04587	16.9
175.03964	4.3
176.03409	2.7
176.04778	2.3
178.02597	4.2
179.03526	11.6
179.04909	2.0
179.10712	4.1
181.05029	49.7
181.08670	2.5
182.05673	4.9
187.07628	3.0
191.05598	31.8
193.05063	31.7
194.05373	2.5
195.06435	3.1
195.08138	3.1
196.05679	3.0
196.07401	41.2
197.08044	8.9
199.09732	30.2
201.04005	6.6
211.07756	5.0
211.09743	59.2
212.10104	3.2
229.08623	2.1
241.10802	6.6
249.09140	2.7
261.06189	5.2
267.07135	4.6
283.11987	15.4
315.19635	3.1
333.20740	20.2
343.13962	6.7
357.26654	4.1
458.14722	11.7
459.14862	4.2
483.13513	2.4
495.25861	18.3
519.31836	56.8
520.32117	7.2
530.52777	2.6
555.21527	20.1
555.29218	98.8
556.20709	6.5
556.29541	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	555.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.3
58.00512	2.5
59.01269	100.0
60.01605	1.9
61.01673	2.7
61.98722	30.7
69.03346	4.7
71.01273	37.5
71.60593	3.3
72.99199	5.2
73.02833	13.2
75.00761	7.6
77.41298	1.9
81.03371	2.0
83.01280	6.8
83.04921	3.5
85.02847	19.6
87.00771	8.6
87.04399	7.0
89.02343	17.3
93.03359	18.3
95.01275	4.2
95.04917	2.1
96.95938	12.5
97.02843	5.5
97.06477	2.3
99.00769	8.3
99.04395	2.9
101.02351	20.8
108.02126	3.0
109.02858	4.1
109.06487	2.8
111.00814	2.3
111.04414	5.7
113.02361	20.4
117.03383	8.4
119.03418	6.7
119.04945	13.6
121.02875	5.4
123.04475	2.7
123.08066	2.1
125.02370	3.6
127.07571	8.5
133.02910	10.2
134.03694	29.2
135.04494	12.7
137.02435	10.5
137.09648	6.4
139.03857	2.4
145.02892	17.9
149.06075	3.0
153.05498	4.3
155.03444	4.9
155.10735	32.5
155.85677	2.6
159.02982	2.8
160.01585	6.1
161.02419	20.9
161.04509	14.2
163.03978	14.5
169.12247	2.7
173.04587	16.9
175.03964	4.3
176.03409	2.7
176.04778	2.3
178.02597	4.2
179.03526	11.6
179.04909	2.0
179.10712	4.1
181.05029	49.7
181.08670	2.5
182.05673	4.9
187.07628	3.0
191.05598	31.8
193.05063	31.7
194.05373	2.5
195.06435	3.1
195.08138	3.1
196.05679	3.0
196.07401	41.2
197.08044	8.9
199.09732	30.2
201.04005	6.6
211.07756	5.0
211.09743	59.2
212.10104	3.2
229.08623	2.1
241.10802	6.6
249.09140	2.7
261.06189	5.2
267.07135	4.6
283.11987	15.4
315.19635	3.1
333.20740	20.2
343.13962	6.7
357.26654	4.1
458.14722	11.7
459.14862	4.2
483.13513	2.4
495.25861	18.3
519.31836	56.8
520.32117	7.2
530.52777	2.6
555.21527	20.1
555.29218	98.8
556.20709	6.5
556.29541	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	555.2858
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
57.03336	0.3
59.01257	0.5
63.96120	0.8
67.59518	0.3
69.03340	0.3
71.01276	5.3
71.07978	0.6
71.08319	0.3
73.02836	1.1
78.94162	0.3
78.98483	4.9
79.95630	6.7
80.96415	53.1
81.03348	0.7
85.02859	2.0
87.00783	2.2
94.97990	11.8
95.01337	0.3
96.95910	1.1
97.02858	1.1
101.02364	1.9
106.98005	2.8
122.97501	2.5
125.02397	2.8
127.03949	0.7
134.97513	4.3
136.99075	1.2
146.97574	0.4
148.99077	4.8
152.98596	4.4
164.98599	10.8
165.98793	0.3
167.00175	0.3
206.99672	2.5
225.00771	14.4
226.01128	0.7
255.23318	2.2
260.71359	0.3
293.16101	0.4
299.04453	3.6
336.89978	0.3
448.28287	0.3
555.28571	100.0
556.28925	13.8
556.37842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2856
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.08363	0.2
57.03338	0.3
59.01260	1.0
61.98724	0.5
63.96135	1.1
69.03369	0.5
70.48105	0.8
70.48483	0.5
71.01270	7.9
72.99181	0.5
73.02833	1.2
73.03197	0.3
78.95818	0.3
78.98489	5.7
79.95631	8.3
80.96413	65.7
81.03349	0.9
83.01282	0.5
85.02839	2.8
87.00770	2.7
91.03905	0.4
93.97223	0.3
94.97991	15.8
95.01307	0.3
96.95911	0.9
97.02850	1.0
99.00834	0.4
99.04466	0.3
101.02350	2.6
103.32212	0.3
106.97997	2.8
113.02351	0.4
122.97527	3.1
125.02383	2.4
127.03911	1.0
134.97520	5.0
136.99066	1.5
137.02368	0.4
143.03439	0.3
148.99091	5.8
152.98570	5.8
152.99680	0.4
164.98590	12.2
165.98882	0.4
167.00154	0.5
172.46248	0.3
182.99689	0.3
188.98610	0.5
196.16916	0.3
200.69844	0.3
206.99669	3.1
225.00758	16.6
226.01096	0.5
233.09630	0.3
255.23326	2.2
256.23605	0.4
299.04471	3.6
364.60577	0.2
506.32013	0.3
555.28546	100.0
556.28888	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	555.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31663	0.2
59.01254	0.6
63.96123	1.1
64.96905	0.3
69.03328	0.5
71.01273	6.1
71.16697	0.3
71.17010	0.5
72.99238	0.3
73.02843	1.2
78.61218	0.3
78.98480	6.2
79.95629	8.1
80.96412	59.0
81.03357	0.8
83.01276	0.3
85.02839	2.7
87.00777	2.4
91.03918	0.3
94.97990	14.1
95.01308	0.3
96.95923	0.9
97.02850	1.2
99.00776	0.4
99.04440	0.3
101.02354	2.8
106.97993	2.6
113.02354	0.7
122.97511	2.8
125.02374	3.5
127.03907	0.9
134.97519	5.0
136.99072	1.2
146.97542	0.4
148.99084	5.7
152.98589	6.1
154.77287	0.3
164.98592	12.4
167.00218	0.5
192.59937	0.3
202.49171	0.3
206.99657	2.6
209.09219	0.3
213.70988	0.4
225.00760	18.1
226.01144	0.6
243.01688	0.3
253.26930	0.3
255.23283	2.7
299.04526	2.9
501.27133	0.3
555.28558	100.0
556.28894	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17928	0.4
59.01254	0.6
61.00640	0.4
63.96125	1.3
65.84888	0.3
69.03331	0.8
70.52261	0.8
70.52630	0.9
71.01270	6.9
72.99207	0.5
73.02833	1.7
78.98480	5.7
79.95621	10.7
80.96408	64.5
81.03343	0.9
85.02838	2.9
85.09919	0.3
87.00769	3.2
94.97984	15.2
96.95924	1.0
97.02853	1.1
98.34252	0.4
99.00764	0.6
101.02353	2.5
106.97998	3.7
118.97300	0.4
122.97499	3.5
125.02388	2.7
127.03965	0.6
134.97493	5.5
136.59183	0.4
136.99055	1.7
148.99062	5.3
152.98538	4.5
161.44115	0.4
164.98578	12.8
177.97974	0.4
192.69006	0.3
206.99681	2.7
225.00746	17.4
226.00946	0.5
255.23277	2.4
299.04520	3.8
498.57941	0.4
549.77185	0.4
555.28522	100.0
556.28851	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	555.2829
Annotation	Tricalysioside I
Peak:m/z	Relative Intensity
50.89017	0.4
51.44234	0.3
57.03341	1.9
58.00488	1.1
59.01268	100.0
60.01611	1.3
61.98725	0.5
62.62156	0.4
69.03348	2.6
70.15094	1.7
71.01273	36.3
72.01620	0.7
72.99205	2.1
73.02839	9.8
75.00777	0.9
76.17729	0.4
77.10719	0.3
77.26388	0.3
78.95815	0.5
81.03374	0.4
81.71904	0.4
83.01284	5.1
83.04910	0.6
85.02847	16.2
87.00781	4.1
87.14771	0.3
88.98695	0.5
89.02345	12.6
93.03360	5.5
95.01279	2.7
95.04962	0.7
97.02857	6.6
97.06515	0.8
98.71162	0.3
99.00787	4.6
99.04454	0.5
101.02353	23.8
102.02674	0.6
104.74396	0.4
108.02144	0.5
109.02877	1.2
111.00782	2.7
111.04454	0.6
113.02361	15.3
115.00304	0.9
115.03942	0.4
117.03391	5.2
119.03473	4.3
119.04947	9.3
120.05257	0.5
121.06520	1.1
121.25935	0.4
125.02394	1.1
129.01857	1.1
130.04173	0.5
131.03458	1.2
131.04997	0.4
133.02887	0.6
135.04448	0.8
141.01921	1.8
143.03439	2.2
143.05026	1.9
145.02895	20.9
146.03281	1.5
149.04506	1.2
152.01180	0.6
159.02982	3.6
161.04512	22.0
162.04851	0.8
163.02690	0.4
163.03955	10.9
164.04301	1.4
165.09158	0.8
173.04510	1.1
179.05594	2.0
183.02957	0.5
191.05591	3.1
195.08177	2.8
201.04062	7.2
201.05908	0.5
205.03633	0.7
211.07669	1.3
212.08015	1.2
213.08319	0.5
219.05173	1.1
219.08139	0.5
221.09737	1.1
234.06760	0.6
243.05211	0.9
249.09245	3.9
261.06226	13.6
262.06631	0.9
293.08243	1.9
311.09326	1.7
315.19727	3.8
327.08881	0.4
333.20795	13.6
334.21124	1.5
350.71252	0.4
495.26135	57.9
496.26474	9.1
555.21149	5.2
555.27496	0.5
556.21722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2825
Annotation	Tricalysioside I
Peak:m/z	Relative Intensity
51.14033	0.2
55.01768	0.4
57.03352	0.3
58.00486	1.0
59.01266	100.0
60.01606	1.2
61.98717	2.2
69.48746	1.4
69.49155	0.4
71.01270	13.8
72.99203	1.0
73.02853	0.9
83.01305	0.8
83.04921	0.4
85.02841	2.5
87.00787	1.1
89.02340	21.0
90.02679	0.3
91.52296	0.2
95.01322	0.6
95.98761	0.2
97.02870	0.8
97.61891	0.2
99.00798	0.4
101.02351	9.4
102.02749	0.4
113.02361	7.2
119.03424	8.9
120.03802	0.3
125.02438	0.3
131.03455	1.1
133.02892	0.4
135.04449	0.6
141.02031	0.2
143.03423	2.2
149.04558	1.1
161.02434	1.3
161.04512	3.9
167.03465	0.6
179.03850	0.4
179.05582	7.6
180.05943	0.6
191.05649	0.8
313.18298	0.3
314.18573	0.3
315.19388	0.6
320.75192	0.2
333.20874	1.5
495.26135	28.9
496.26514	4.7
496.33502	0.4
555.28992	1.7
556.28900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78523	0.4
57.03325	2.2
58.00480	1.2
59.01265	100.0
60.01595	0.6
61.79345	0.4
61.98710	2.3
65.03855	0.8
67.01783	0.8
67.55466	0.5
69.03345	15.0
69.69629	1.8
69.70046	0.9
71.01270	33.2
72.01619	0.8
72.99195	1.7
73.02837	7.7
75.00752	1.0
78.95827	0.5
81.03352	2.4
83.01279	6.6
83.04921	1.5
84.02074	0.7
85.02840	14.3
85.03358	0.8
87.00779	9.9
88.01115	0.5
89.02339	12.0
93.03360	39.0
94.03707	1.0
95.01270	3.2
95.04924	4.0
95.73574	0.4
96.95907	0.9
96.99219	4.0
97.02849	19.4
97.06501	1.1
98.03207	0.5
99.00771	4.1
99.04411	1.0
101.02346	22.4
108.02039	0.5
108.47369	0.5
109.02871	2.8
109.06487	0.5
111.00792	18.0
111.04440	1.9
113.02357	12.5
115.00288	9.7
115.05453	3.0
117.03386	2.8
119.03438	4.9
119.04926	4.5
121.02850	1.3
123.04433	1.4
123.08088	1.0
125.02389	1.1
127.07582	1.1
129.01874	3.3
130.04181	1.2
131.03416	0.6
131.04965	2.2
133.02896	7.6
134.03622	0.6
134.81741	0.5
135.04463	3.3
136.44188	0.4
137.02354	1.0
139.03935	1.1
141.01875	10.9
142.02232	0.6
143.03513	2.4
143.04945	3.8
145.02879	4.4
147.04427	1.1
153.01944	0.9
157.05022	1.9
158.03699	0.8
159.02939	2.1
161.02379	22.0
161.04500	19.2
161.05620	0.4
162.02774	1.1
162.04779	0.7
163.03976	2.0
163.11220	0.9
165.09169	0.8
165.12805	1.8
169.06688	0.5
172.05197	0.5
173.04472	1.1
179.03505	2.0
179.05569	2.6
179.06956	0.6
183.02924	2.5
187.03989	0.5
191.05589	1.7
191.07124	0.8
191.10783	1.1
193.05092	0.5
195.08139	31.1
196.08424	2.6
201.04031	70.4
202.04333	3.4
205.03647	0.5
206.07356	1.0
207.08141	5.1
208.08649	0.5
219.05093	5.0
219.08165	9.6
220.08495	1.4
221.09731	9.6
222.10086	0.6
223.11299	6.4
224.11623	1.1
230.07594	0.5
234.06856	5.2
235.07474	1.3
235.84737	0.5
237.09219	0.8
243.05139	19.6
244.05466	1.5
247.07643	1.3
248.08447	0.7
249.09244	38.3
250.09612	3.4
261.06213	76.6
262.06589	5.2
263.07184	0.5
265.08795	0.6
267.10397	1.0
271.20822	1.1
289.21869	1.1
291.59537	0.5
293.08267	28.9
294.08636	3.4
303.19763	1.1
309.11469	0.8
311.09348	17.9
312.09628	2.2
315.19647	2.9
329.17615	3.7
333.20776	31.5
334.21216	3.8
335.09259	1.1
347.18637	1.1
359.06213	6.9
360.06339	0.7
371.18814	0.6
389.19684	0.5
451.13831	1.1
469.15479	0.9
477.25079	0.7
495.26102	41.1
496.26529	7.2
511.16113	3.2
555.14581	3.7
555.21924	9.1
555.28400	1.3
556.14490	1.0
556.21216	1.4
556.28430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.2
55.04379	0.3
57.03337	1.6
58.00486	0.4
58.33685	0.3
59.01266	88.9
60.01611	1.0
61.98709	0.4
62.11617	0.3
65.03850	0.7
69.03343	2.3
69.40727	3.3
71.01272	25.5
71.04920	0.6
72.01620	0.5
72.99198	0.9
73.02837	5.6
73.59214	0.3
77.03869	0.6
81.03361	1.2
83.01281	3.1
83.04934	1.1
84.81927	0.3
85.02843	9.4
87.00776	4.1
88.98701	0.3
89.02342	8.1
93.03366	4.6
95.01299	2.0
95.04929	1.9
96.95919	0.5
97.02858	5.4
97.06521	0.9
99.00782	2.5
101.02351	13.8
102.02685	0.5
104.21338	0.4
108.02087	3.0
109.02888	3.0
111.00794	3.5
111.04449	1.1
113.02360	10.7
116.15121	0.4
117.03394	5.1
119.03497	3.1
119.04948	100.0
120.05276	5.0
121.02894	1.0
122.06042	0.6
123.08105	1.0
125.02404	0.7
129.01854	2.3
134.03636	0.4
135.04456	1.3
141.01865	0.8
143.03470	1.8
145.02892	18.1
146.03221	1.1
147.04459	20.0
148.04800	1.4
152.07123	1.1
153.07478	0.5
159.02972	2.7
161.04504	21.9
162.04874	0.6
163.03960	68.0
164.04306	3.9
175.57927	0.4
179.05566	1.4
183.02985	4.1
191.05600	1.1
191.10841	0.4
193.05074	0.5
201.04036	30.4
202.04367	1.8
205.03561	0.5
206.07368	0.5
207.08151	1.2
208.08757	0.4
219.05086	1.4
219.08186	0.6
221.09734	10.7
222.10378	3.9
223.11290	5.1
223.17067	0.7
224.11766	0.5
231.27701	0.4
237.09238	10.6
238.09547	1.1
243.05147	7.7
244.05531	0.5
249.09196	1.0
249.14964	0.9
261.06226	5.5
267.10297	5.1
268.10641	0.6
282.09641	0.5
289.18265	0.5
303.07309	0.5
311.09421	2.9
311.99628	0.4
312.09979	0.4
315.19702	4.5
318.18338	1.0
331.08334	6.0
332.08643	1.0
333.20792	28.8
334.21143	3.1
347.07523	0.5
391.10458	17.4
392.10858	2.4
407.09915	7.8
408.10281	0.6
451.14056	4.6
452.14374	0.7
479.20120	0.8
495.26089	22.4
496.26489	4.1
511.16278	6.0
512.16327	1.1
523.19171	0.9
555.15204	2.9
555.28210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.5
56.95200	0.6
57.03330	1.4
58.00494	1.4
59.01269	100.0
60.01622	0.9
63.08666	0.6
69.03358	1.8
69.82495	1.1
69.82909	3.2
71.01273	27.5
72.99212	1.8
73.02843	8.0
78.66426	0.5
83.01293	3.9
85.02852	14.5
86.00018	1.0
87.00778	3.5
89.02340	10.1
93.03377	1.3
95.01324	1.7
97.02862	1.4
99.00795	2.8
101.02359	26.1
111.00794	0.9
113.02368	11.3
119.03434	5.1
119.04941	0.7
127.07594	3.7
129.01936	1.1
133.02922	0.9
134.03679	1.1
135.04448	2.3
141.01932	0.9
143.03491	2.0
145.02943	1.3
147.11758	1.1
159.02928	1.5
161.02446	3.3
161.04503	5.0
163.04013	0.7
163.07626	0.7
170.69913	0.6
171.06633	1.3
173.04582	0.8
179.03514	1.5
179.05663	0.6
188.08435	5.4
189.09152	3.4
191.05603	0.7
193.04997	1.3
201.04095	1.1
215.29367	0.6
243.14172	0.7
249.09355	0.7
249.15063	2.3
261.06223	1.0
261.15100	1.9
289.21915	0.8
315.19827	0.9
333.20584	1.8
347.18967	1.5
351.21628	1.1
379.21625	1.3
401.14487	1.3
411.20343	33.2
412.20691	4.2
423.20352	28.3
424.20895	4.1
451.27155	12.6
452.27292	1.9
460.70999	0.7
477.25089	44.5
478.25409	6.9
495.26193	18.7
496.26746	3.6
513.27057	0.7
555.21161	5.0
555.28662	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	555.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86141	0.4
57.03333	1.4
58.00480	1.2
59.01263	100.0
60.01606	0.8
61.98709	3.2
65.03848	1.8
67.01786	1.1
68.99689	0.7
69.03342	15.2
71.01267	32.9
71.04904	0.7
71.06161	0.8
72.99201	1.6
73.02834	6.5
75.00756	0.8
75.17700	0.4
77.03882	0.7
77.51814	0.4
78.95792	0.4
81.03354	2.8
83.01273	8.3
83.04926	1.7
85.02840	12.8
86.25069	0.4
87.00771	9.2
89.02339	9.4
93.03355	42.6
94.03690	1.5
95.01275	2.8
95.04916	3.4
96.95937	1.0
96.99210	4.9
97.02850	19.8
97.06500	1.1
99.00768	3.2
99.04413	0.6
101.02341	19.6
106.21780	0.4
108.02103	0.6
109.02866	3.0
109.06532	1.0
111.00784	18.2
111.04427	2.0
112.01126	0.6
113.02353	11.4
115.00284	8.3
115.03890	0.4
115.05457	4.1
117.03381	3.4
119.03458	4.0
119.04928	4.4
121.02868	1.9
123.04417	1.2
123.08054	0.8
125.02416	0.5
127.07548	1.0
129.01848	3.1
130.04160	1.6
131.03453	0.9
131.04967	1.9
132.02090	0.7
133.02879	7.2
134.03627	0.9
135.04410	2.9
136.62653	0.4
137.02367	1.3
139.03905	1.1
141.01866	10.3
142.02115	0.4
143.03423	1.9
143.04950	3.9
145.02881	4.4
147.04428	2.0
153.01915	0.8
157.05002	1.7
158.03647	0.9
159.02913	1.9
161.02385	13.0
161.04500	15.7
162.02638	0.7
163.03961	2.0
163.11220	0.8
165.09161	1.0
165.12807	1.9
171.02939	0.7
173.04475	0.8
179.03464	1.6
179.05501	1.3
183.02881	2.5
191.05562	1.3
191.07137	0.5
191.10803	0.8
195.08119	30.5
196.08466	2.5
201.04024	65.1
202.04352	3.2
205.08627	0.6
206.07417	1.3
207.08119	4.7
208.08438	0.8
219.05109	4.7
219.08153	9.9
220.08556	1.0
221.09711	9.4
222.10042	0.8
223.11269	7.4
224.11694	0.6
234.06831	5.0
235.07434	0.7
243.05125	17.5
244.05402	1.1
247.07668	1.4
248.08427	1.3
249.09235	35.6
250.09570	3.6
261.06195	65.5
262.06488	4.4
271.20734	1.2
289.21863	0.8
293.08270	26.1
294.08551	3.1
297.18582	0.4
303.19589	0.7
311.09308	16.1
311.12860	0.9
312.09598	1.8
315.19638	2.7
329.17810	2.6
333.20773	24.9
334.21179	2.3
339.05170	0.4
347.18723	1.0
357.20816	0.8
359.06259	5.3
360.06848	0.5
383.05246	0.5
401.14001	0.6
451.14035	1.0
469.15414	0.7
495.26108	30.6
496.26450	4.7
511.16116	2.5
511.22879	0.6
512.16132	0.6
555.13580	4.5
555.22418	2.9
555.27863	1.2
556.15491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2819
Annotation	Tricalysioside I
Peak:m/z	Relative Intensity
55.01778	1.3
57.03340	1.4
59.01266	81.1
59.25142	0.4
60.01595	1.0
61.98715	2.7
69.03350	0.9
71.01273	21.3
71.04929	0.9
72.99203	1.9
73.02833	6.0
75.00776	1.2
78.95809	0.8
80.93497	0.4
81.03355	0.7
83.01297	2.6
83.04961	0.6
85.02842	7.6
87.00761	2.3
89.02345	6.7
93.03377	2.9
95.01286	1.8
96.95927	2.7
97.02861	0.9
97.06510	0.8
99.00783	4.8
99.04423	1.1
101.02347	14.5
105.09544	0.4
107.04958	0.8
109.02872	3.7
111.04416	0.7
113.02357	9.2
115.00281	0.5
117.03400	1.3
119.03413	2.8
119.04952	3.3
121.02898	0.8
125.02384	0.9
131.03413	0.5
133.02892	1.7
134.03677	3.9
135.04453	100.0
136.01614	0.4
136.04797	4.2
137.02380	7.0
137.03435	0.4
138.02983	0.4
143.03453	1.6
145.02869	2.7
147.04396	0.5
147.41006	0.4
149.04442	0.8
153.05511	3.6
155.03479	0.8
159.02946	2.0
159.04404	0.6
160.01601	1.1
161.02460	3.0
161.04509	12.9
162.02763	0.6
163.03954	2.3
172.05310	0.4
173.04527	3.3
175.03976	1.4
178.02681	0.7
179.03467	2.8
179.05598	1.3
180.68657	0.4
187.07584	0.4
191.05582	5.5
193.05032	0.9
195.06607	0.9
203.07164	0.6
205.03529	0.4
211.07707	0.6
213.14995	0.6
223.16978	0.8
229.71603	0.4
232.07219	0.6
257.15631	0.8
271.05890	0.6
271.20792	0.9
289.21927	0.6
299.20273	0.4
308.97247	0.4
313.17987	0.5
315.19638	4.5
316.20081	0.7
333.20810	9.7
334.21243	0.6
337.09482	0.5
351.21927	0.7
357.20880	1.1
375.21808	1.2
393.23093	0.8
397.33057	0.4
417.22922	1.0
458.14377	1.4
461.27710	1.4
495.26135	25.0
496.26654	3.9
519.31909	0.6
537.20477	0.5
555.23108	3.5
555.28455	3.7
556.27734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02277	0.1
57.03329	0.2
59.01266	0.3
60.99188	0.5
65.00189	0.1
65.03843	0.2
67.01774	1.4
69.03346	0.4
71.01270	0.8
71.58030	0.1
73.02834	0.2
77.03856	1.4
78.95796	0.1
78.96272	0.1
79.05408	0.1
81.03350	0.7
83.04919	1.1
85.02843	0.5
87.00771	1.6
89.03864	1.1
91.05395	0.1
93.03359	11.4
94.03674	0.3
95.01246	0.1
95.04926	4.3
97.02843	0.1
99.00775	0.2
99.04427	0.2
100.96971	0.1
101.02312	0.1
105.03366	15.4
106.03696	0.6
107.04935	0.2
109.02862	0.7
111.00749	0.1
111.04428	4.6
112.04723	0.1
121.02864	0.4
123.04434	1.7
123.05286	0.1
127.03956	0.5
129.01859	0.7
132.02118	0.4
133.02879	100.0
134.03192	4.5
134.04617	0.1
135.04439	0.8
137.02367	0.6
145.06497	0.2
146.03667	0.1
147.04427	0.1
147.08044	0.2
149.02394	0.4
150.03154	0.1
151.03973	1.1
155.03444	4.0
156.03677	0.1
157.06482	0.1
158.07364	0.1
159.04449	0.1
161.02403	0.2
163.07628	0.1
171.44376	0.1
172.05247	0.6
173.04535	20.4
173.05997	2.6
173.13295	0.2
174.04883	0.7
174.06273	0.1
177.01889	31.9
178.02235	1.6
179.03500	0.3
185.06018	0.4
185.09642	0.1
186.06766	0.2
187.07602	0.1
191.05580	3.4
192.05896	0.1
199.07610	1.1
200.08308	0.1
201.09167	0.3
209.09610	0.1
211.07584	0.1
213.09227	0.2
213.12836	0.1
214.09892	0.1
215.05592	1.6
215.07515	0.1
215.10838	0.1
225.09244	0.1
225.12926	0.1
229.05075	0.6
229.15977	0.2
236.11952	0.1
243.06639	0.5
244.07341	0.2
249.12901	0.1
249.16452	0.1
253.12408	0.1
255.13945	0.1
265.12231	0.1
267.13882	0.2
268.14581	0.1
269.15561	0.1
281.22766	0.2
293.15353	0.2
293.22781	0.2
295.20575	0.1
307.08261	0.2
307.17160	0.1
308.17795	0.1
309.22287	1.8
310.22617	0.3
311.20221	0.3
319.20618	0.3
331.58710	0.1
337.21799	3.2
338.22168	0.4
351.07288	6.3
352.07654	0.4
381.20779	61.0
382.21124	8.4
552.34735	0.1
555.26080	16.2
556.26447	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	555.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03069	0.1
57.03328	0.4
59.01262	0.4
60.99187	0.4
61.98705	0.2
65.00208	0.1
65.03844	0.2
67.01784	0.8
67.61297	0.1
69.03342	0.3
69.38439	0.1
69.51611	0.2
69.52021	0.5
71.01266	0.7
73.02842	0.1
77.03854	1.4
78.95814	0.1
81.03343	0.6
83.04916	1.0
85.02841	0.5
87.00768	1.1
89.03870	1.0
93.03360	8.4
94.03703	0.2
95.04926	3.8
96.05267	0.1
97.02836	0.1
104.02657	0.1
105.03373	14.9
106.03658	0.5
107.04949	0.1
108.02070	0.3
109.02858	0.5
111.00830	0.1
111.04435	3.9
112.04757	0.1
121.02867	0.5
123.04446	1.7
127.03939	0.3
129.01826	0.5
130.04179	0.4
132.02110	0.5
132.05704	0.1
133.02890	100.0
134.03200	4.1
135.04474	0.6
137.02356	0.7
145.06538	0.6
146.07329	0.4
147.08073	0.5
149.02425	0.4
150.03177	0.1
151.03967	1.1
155.03459	4.2
156.03786	0.1
156.05779	0.1
157.06538	0.3
159.08110	0.2
167.08643	0.2
172.05193	0.1
173.04518	18.4
174.04851	0.7
177.01898	35.3
178.02235	1.9
178.06305	0.2
179.03477	0.3
183.08142	0.1
185.09698	0.2
191.05579	1.8
198.06738	0.1
210.57666	0.1
211.07611	0.5
211.11180	0.1
213.12817	0.3
215.05620	1.3
225.09138	0.2
225.12920	0.2
226.13293	0.1
253.12358	0.1
291.21368	0.1
293.19522	0.1
293.22821	0.3
307.08472	0.2
309.22314	6.6
310.22641	0.9
311.20035	0.2
319.20621	0.1
337.21802	2.1
338.22186	0.3
351.07291	6.9
352.07693	0.6
362.20901	0.1
381.20779	54.6
382.16043	0.1
382.21124	7.6
555.26086	15.3
556.26453	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	555.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92500	0.5
57.03335	1.5
59.01260	1.8
60.99187	5.4
65.03844	1.1
67.01779	15.5
69.03342	3.8
69.31127	5.0
70.58752	0.5
71.01265	5.7
73.02835	0.7
77.03854	0.6
81.03355	3.1
83.04914	2.1
85.02843	2.8
87.00774	19.8
89.03870	1.0
91.05441	1.2
93.03359	100.0
94.03694	3.7
95.04922	2.3
97.02885	0.6
99.00781	2.3
99.04436	1.2
105.03365	9.4
107.04943	2.4
107.34177	0.5
109.02863	11.1
111.00788	0.7
111.04436	14.9
112.04708	0.5
115.03952	0.6
117.03403	1.2
121.02879	0.6
123.04469	2.4
127.03981	0.7
129.01877	2.2
133.02882	80.9
134.03200	2.6
135.04449	18.4
137.02364	1.7
149.02396	1.2
150.03159	2.7
151.03957	1.2
155.03452	4.5
159.04482	0.9
161.02377	1.4
171.03029	0.6
173.04509	83.2
174.04861	3.3
177.01897	28.6
178.02278	1.6
179.03474	7.4
191.05583	40.4
192.05945	1.5
195.02892	0.7
198.01790	0.5
215.05603	37.4
216.05975	1.1
277.21686	0.7
307.08279	4.3
308.08682	0.5
351.07281	83.9
352.07584	8.3
359.58426	0.5
381.20807	5.6
382.21194	0.8
474.26309	0.8
496.31647	0.5
555.26093	91.7
556.26453	20.1
556.35315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02269	0.2
52.57243	0.2
59.01268	0.4
60.99179	0.6
61.98722	0.4
65.20646	0.2
67.01778	1.1
69.03329	0.2
70.89700	0.5
70.90041	0.4
71.01286	0.8
77.03870	1.1
78.95779	0.4
81.03366	0.6
83.04939	1.0
83.05326	0.2
85.02814	0.3
87.00768	1.4
89.03860	1.0
93.03359	8.6
94.03735	0.3
95.04924	3.5
99.00812	0.2
105.03365	14.7
106.03691	0.5
109.02849	0.7
111.04429	3.5
121.02853	0.4
123.04447	2.0
127.03925	0.4
129.01888	0.5
132.02069	0.5
133.02882	100.0
134.03185	4.1
135.04446	0.8
137.02406	0.4
149.02368	0.4
151.03949	0.9
155.03438	3.5
158.55171	0.2
173.04512	17.2
174.04851	0.9
177.01894	35.1
178.02197	1.8
179.03398	0.4
191.05617	2.2
201.09184	0.3
215.05634	1.6
246.75401	0.2
271.35306	0.2
281.22675	0.5
292.96576	0.2
299.53058	0.3
307.08868	0.2
309.22299	2.5
310.22763	0.3
337.21729	2.4
338.22293	0.5
351.07269	8.2
352.07751	1.0
381.20782	61.5
382.21118	8.9
555.26123	17.4
555.33209	0.3
556.26465	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
57.03341	0.6
58.00480	1.4
59.01265	32.7
60.01583	0.4
71.01270	22.3
72.99188	1.3
73.02834	0.8
78.95795	69.7
81.57436	0.3
83.01281	0.7
85.02850	4.0
87.00789	1.6
89.02338	31.4
93.03367	0.9
95.01257	1.4
96.96864	55.2
99.00763	0.3
101.02351	13.1
102.02683	0.4
109.02874	0.3
111.00775	0.4
113.02361	10.7
119.03419	14.8
123.08030	0.3
125.02367	0.5
127.07555	0.3
131.03427	1.5
133.02898	0.5
135.04408	1.2
136.04793	0.4
139.11241	0.5
141.09146	15.4
142.09486	0.8
143.03438	3.7
147.04501	0.4
149.04485	1.7
153.01849	1.0
153.05560	0.3
161.02368	1.2
161.04494	6.4
168.04205	2.4
173.04546	0.8
173.15147	0.3
179.03560	0.7
179.05576	19.7
180.05826	0.6
183.06592	7.9
183.10194	0.7
184.06963	0.5
191.05595	2.0
192.06018	0.6
197.11803	0.4
201.03937	0.7
207.20999	0.3
209.11638	0.3
218.04562	0.6
219.04849	0.4
225.11473	0.4
233.09496	100.0
234.09827	4.9
240.38104	0.3
261.06256	0.6
315.19684	0.8
321.15604	30.0
322.15964	2.6
333.20807	1.9
353.08636	0.7
354.09103	0.4
393.10123	0.7
394.11295	0.4
448.67090	0.4
495.25848	1.2
503.87784	0.4
555.21185	1.7
556.21497	0.5
559.57098	0.3
559.99261	0.3
569.78790	0.3
581.72876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	0.2
55.12286	0.1
57.03344	0.3
59.01266	10.3
61.98713	0.9
69.03362	0.2
71.01271	3.1
71.60585	0.2
71.87189	0.1
72.99187	0.7
73.02832	0.9
78.95782	0.2
83.01305	0.4
85.02846	1.4
87.00780	0.6
89.02347	1.3
89.03856	0.2
93.03371	0.7
95.01278	0.2
96.31577	0.1
96.95925	0.5
99.00768	0.6
99.04410	0.2
101.02346	2.3
103.51269	0.1
107.04947	0.3
108.02072	0.3
109.02866	2.3
111.00795	0.2
111.04443	0.3
113.02338	1.4
117.03374	0.3
119.03461	0.3
119.04946	2.9
121.02823	0.1
127.38607	0.1
133.02899	0.7
134.03682	2.1
135.04454	100.0
136.04788	5.1
136.05849	0.2
137.02374	6.5
138.02774	0.2
143.03424	0.2
145.02910	0.7
149.04503	0.1
149.06038	0.3
155.03551	0.2
159.02917	0.1
160.01587	0.3
161.02414	0.8
161.04485	1.0
163.03960	1.9
163.07556	0.2
164.04329	0.2
171.10231	0.1
173.04517	0.8
175.03914	0.2
179.03481	0.5
179.05548	0.2
191.05574	1.2
192.05977	0.2
193.05029	0.3
195.06590	0.2
233.17865	0.1
289.21658	0.2
315.19543	0.4
333.20660	1.0
341.08969	0.2
359.09772	0.2
389.15909	0.2
391.28757	0.1
393.22787	0.2
439.12341	0.4
451.27408	0.1
457.12900	0.3
458.14023	0.4
461.27521	0.2
467.22153	0.1
493.24612	0.3
495.26154	7.9
496.26227	1.4
555.24353	5.4
556.24811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	0.2
55.12286	0.1
57.03344	0.3
59.01266	10.3
61.98713	0.9
69.03362	0.2
71.01271	3.1
71.60585	0.2
71.87189	0.1
72.99187	0.7
73.02832	0.9
78.95782	0.2
83.01305	0.4
85.02846	1.4
87.00780	0.6
89.02347	1.3
89.03856	0.2
93.03371	0.7
95.01278	0.2
96.31577	0.1
96.95925	0.5
99.00768	0.6
99.04410	0.2
101.02346	2.3
103.51269	0.1
107.04947	0.3
108.02072	0.3
109.02866	2.3
111.00795	0.2
111.04443	0.3
113.02338	1.4
117.03374	0.3
119.03461	0.3
119.04946	2.9
121.02823	0.1
127.38607	0.1
133.02899	0.7
134.03682	2.1
135.04454	100.0
136.04788	5.1
136.05849	0.2
137.02374	6.5
138.02774	0.2
143.03424	0.2
145.02910	0.7
149.04503	0.1
149.06038	0.3
155.03551	0.2
159.02917	0.1
160.01587	0.3
161.02414	0.8
161.04485	1.0
163.03960	1.9
163.07556	0.2
164.04329	0.2
171.10231	0.1
173.04517	0.8
175.03914	0.2
179.03481	0.5
179.05548	0.2
191.05574	1.2
192.05977	0.2
193.05029	0.3
195.06590	0.2
233.17865	0.1
289.21658	0.2
315.19543	0.4
333.20660	1.0
341.08969	0.2
359.09772	0.2
389.15909	0.2
391.28757	0.1
393.22787	0.2
439.12341	0.4
451.27408	0.1
457.12900	0.3
458.14023	0.4
461.27521	0.2
467.22153	0.1
493.24612	0.3
495.26154	7.9
496.26227	1.4
555.24353	5.4
556.24811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.21
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56440	0.3
55.01775	0.4
57.03329	1.4
59.01268	22.0
61.98714	0.9
67.01775	0.3
69.03341	1.4
71.01276	7.1
71.61045	0.5
72.99202	23.2
73.02844	2.3
75.00772	0.6
83.01266	1.5
85.02846	4.0
87.00778	1.0
89.02349	2.4
93.03374	1.6
95.01318	0.6
95.04909	0.3
96.95910	2.0
97.02860	0.4
99.00228	0.3
99.00797	1.8
101.02354	6.4
109.02860	0.5
111.00771	0.7
111.04458	0.4
113.02361	5.5
115.07571	10.4
117.03362	1.4
119.04949	100.0
119.64024	0.3
120.05286	4.4
121.02868	1.4
131.03445	0.6
133.02872	0.5
133.06433	0.4
134.03633	0.4
135.04451	6.6
136.04808	0.5
143.05009	0.4
145.02882	4.7
155.03482	0.4
159.02892	0.5
161.02428	0.6
161.04552	2.0
162.03157	1.6
163.03963	66.3
164.04305	3.0
173.04512	0.5
175.03975	0.4
175.07669	0.4
179.03465	0.5
191.05553	1.8
195.08188	0.4
201.04025	0.6
205.05077	0.7
211.07657	1.0
212.07916	0.5
213.08282	0.5
219.06592	0.6
261.06268	1.5
277.07181	1.5
293.08246	0.4
307.08405	1.0
317.87216	0.3
325.09293	1.0
333.20779	2.9
350.20566	0.3
351.21042	0.4
381.08511	0.4
426.60605	0.3
439.12579	16.7
440.12796	2.0
457.13620	17.0
458.14108	1.9
477.25015	1.0
493.24545	0.5
495.26157	22.4
496.26480	3.6
555.20935	24.4
556.21161	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	555.2096
Annotation	Dracunculifoside P
Peak:m/z	Relative Intensity
55.01793	0.3
57.03326	0.2
58.00489	0.5
59.01267	29.2
60.01595	0.3
61.98714	0.5
65.03839	0.3
69.03345	2.5
69.28847	0.3
69.29176	2.7
71.01271	10.6
71.04907	0.7
72.76586	0.2
72.99219	0.5
73.02835	2.9
75.00755	0.4
78.95795	0.3
81.03370	0.6
83.01277	1.5
83.04929	0.3
85.02840	2.8
87.00785	1.8
89.02341	8.1
89.03828	0.3
93.03360	6.9
93.03925	0.4
94.03729	0.2
95.01295	0.5
95.04952	0.3
96.95915	0.9
96.99220	0.5
97.02850	3.2
99.00786	3.2
101.02354	6.6
104.59744	0.2
105.03372	0.4
107.04976	0.3
109.02871	0.8
109.06518	0.3
111.00804	3.0
111.04411	0.7
111.57481	0.2
113.02380	3.1
113.03098	0.4
115.00250	1.1
115.03920	0.4
115.05479	0.5
116.11261	0.2
117.03376	1.8
119.03438	1.5
119.04932	1.4
121.02908	0.6
121.06516	0.3
123.08084	2.0
123.31419	0.3
125.02383	0.6
127.07565	0.5
129.01866	0.6
131.03413	0.6
132.02100	2.0
133.02884	30.2
134.03757	1.2
135.04453	14.8
136.04753	0.7
137.02339	0.7
141.01881	1.8
143.03426	0.6
143.04985	0.4
145.02888	1.3
149.04514	1.1
157.05002	0.4
159.02907	0.4
161.02397	100.0
161.04564	4.1
162.02731	4.4
163.03979	1.2
173.04507	0.8
175.03983	0.3
175.07666	0.3
179.03474	6.3
179.05609	0.5
180.03862	0.4
183.02979	0.4
189.09311	0.5
191.05594	3.1
191.07162	0.7
193.04935	0.3
195.08147	4.0
196.08508	0.4
201.04042	10.4
202.04420	0.3
205.08687	1.1
207.08113	0.7
219.05113	0.9
219.08154	1.0
221.09743	1.1
223.11304	1.0
234.06956	0.6
243.05132	3.3
249.09270	5.2
250.09596	0.6
261.06213	12.1
262.06616	0.5
263.13019	0.3
271.20667	0.3
289.21793	0.8
293.05002	0.2
293.08267	4.8
293.11557	0.3
294.05344	0.3
294.08627	0.7
311.09274	2.7
312.09570	0.4
315.19730	1.8
316.20215	0.3
329.17679	6.7
330.17984	0.6
333.16870	0.3
333.20816	5.0
334.21121	0.4
335.53909	0.2
339.05609	0.3
347.18701	2.7
348.19614	0.4
359.06290	1.3
371.18616	1.5
389.19742	0.5
393.17838	0.9
453.11691	0.3
495.26114	6.6
496.26422	0.7
555.20984	50.3
556.21350	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	555.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.6
57.03346	0.9
58.00502	0.7
59.01266	32.3
60.62022	0.5
61.98719	17.2
63.14826	0.5
69.03340	0.8
71.01270	12.4
71.39433	0.7
71.39787	0.5
71.76334	0.5
72.99188	1.2
73.02846	3.9
83.01288	2.1
85.02850	5.1
87.00800	1.2
89.02335	9.8
89.02839	0.8
91.05487	0.6
93.03371	1.8
95.01318	0.8
96.95944	0.7
96.99761	0.5
97.02872	1.1
99.00790	4.2
101.02361	8.3
104.02670	0.4
105.03349	0.5
107.04939	1.9
113.02360	4.2
117.03371	1.8
119.03436	1.9
119.04888	0.5
125.02361	0.9
127.07578	8.7
131.03447	0.7
132.02100	1.7
133.01848	1.2
133.02885	31.5
134.03699	7.9
135.04453	100.0
135.34438	0.5
136.04790	4.3
137.02362	0.8
145.02890	0.7
148.05183	1.3
149.04503	0.7
149.06015	0.9
160.01498	0.5
161.02391	97.0
162.02718	4.2
163.03969	0.6
163.07646	1.4
171.06581	2.9
173.04544	1.2
179.03462	60.4
180.03833	3.3
188.08463	1.6
189.09135	1.5
191.05621	2.9
191.49600	0.5
192.05804	0.6
193.05093	1.1
211.07625	1.3
249.14767	0.6
281.06665	0.7
333.20673	1.8
393.17444	0.6
401.14508	2.3
411.20313	6.0
412.20502	1.1
423.20343	6.0
424.20731	0.7
451.27072	2.5
477.25058	9.1
478.25418	1.4
489.52411	0.6
493.20929	13.1
495.26068	3.8
555.20880	79.4
556.21301	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	555.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26407	0.2
53.75055	0.2
55.01772	0.7
57.03337	0.6
58.00496	0.2
59.01266	64.8
60.01600	0.5
61.98730	0.9
65.03854	0.8
67.01776	0.9
68.99716	0.2
69.03345	18.7
69.38857	1.1
69.39282	0.9
70.03674	0.3
71.01274	6.1
72.99190	0.9
73.02825	1.2
75.00761	0.5
77.03864	0.6
79.01768	0.2
80.02577	0.3
81.03348	2.3
83.01280	6.2
83.04917	1.6
84.02068	0.5
85.02841	3.1
86.67776	0.2
87.00777	3.6
89.02348	2.2
93.03362	24.4
94.03693	0.7
95.01313	1.7
95.04926	3.9
96.05289	0.3
96.70607	0.2
96.95922	2.2
96.96875	0.2
96.99245	0.6
97.02856	17.7
98.00007	0.2
98.03191	0.4
99.00748	0.9
99.04455	0.3
101.02344	2.4
108.02082	0.5
109.02869	3.3
111.00793	23.6
111.04436	2.2
112.01121	0.3
113.02357	2.2
115.00312	1.2
115.05453	2.3
115.23500	0.2
116.05782	0.2
116.92786	0.4
117.03398	2.8
119.03470	0.4
119.04946	2.8
121.02878	2.0
123.00798	0.2
123.04440	0.9
125.02384	0.6
127.03943	0.3
127.07581	0.5
129.01872	2.0
130.04199	0.5
131.04959	0.9
132.02080	1.1
133.02870	2.1
134.03677	6.3
135.04494	1.2
137.02383	1.1
139.03963	0.6
141.01877	15.0
142.02231	0.4
143.03490	0.2
143.03879	0.2
143.04979	2.1
145.02884	2.3
147.04427	1.6
149.02383	0.3
149.04488	0.3
149.06007	0.7
150.03186	0.4
152.01097	0.2
153.01898	0.9
155.03430	0.3
157.05022	2.5
158.03662	0.3
159.02881	0.3
160.01628	4.3
161.02438	1.6
161.04498	2.2
162.04816	0.2
163.03961	1.5
165.05540	0.5
167.03387	0.4
171.03014	0.3
171.04440	0.5
173.04524	0.9
175.03967	7.0
176.04390	0.5
178.02664	0.4
179.03438	0.7
179.05518	0.2
179.07076	0.2
183.03003	0.4
187.03975	0.4
191.05605	1.7
193.05032	5.7
193.06778	0.3
194.05287	0.3
195.08138	16.8
196.08452	1.1
201.04031	53.0
202.04362	2.6
206.07407	0.5
207.08157	1.4
211.06087	0.5
219.05067	2.3
219.08159	4.1
220.08545	0.5
221.09732	4.3
223.11287	1.4
227.06999	0.3
229.14418	0.9
230.89290	0.2
231.08238	0.2
234.06874	1.4
235.07773	0.5
243.05147	3.7
247.07635	0.6
248.08498	0.4
249.06490	0.4
249.09242	16.6
250.09613	1.6
261.06207	100.0
262.06567	5.9
263.07312	0.2
265.08636	0.4
267.07312	0.5
267.10150	0.2
285.04242	0.4
293.08261	8.5
294.08582	1.0
311.09357	2.7
312.09631	0.4
319.08142	0.2
332.19522	0.4
333.20712	1.9
337.10803	0.5
359.06351	0.8
458.14606	0.3
495.19510	0.4
495.26007	2.7
496.26382	0.3
511.16330	0.6
555.21472	4.3
555.29041	0.9
556.21088	0.8
558.81531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.5
56.42746	0.2
57.03326	0.5
58.00478	0.3
59.01267	39.9
60.01609	0.5
61.98721	0.3
65.03856	0.4
67.01779	0.3
69.03349	1.5
71.01273	8.6
72.99223	0.5
73.02841	1.9
73.50355	0.2
75.00764	0.3
77.03851	0.4
78.95825	0.3
81.03359	0.5
83.01270	1.8
83.04890	0.3
84.02092	0.2
85.02840	3.4
87.00784	3.9
87.01282	0.4
89.02348	2.3
93.03358	3.8
95.01280	1.1
95.04944	1.8
96.95913	0.9
97.02869	2.6
99.00790	1.1
101.02346	4.0
108.02091	3.4
109.02880	2.3
111.00800	3.1
111.04441	0.8
113.02364	3.4
113.06024	0.2
117.03385	5.6
119.04948	100.0
120.05289	4.7
121.02884	1.0
122.06106	0.5
123.00784	0.2
125.02409	0.3
129.01865	1.7
131.04904	0.3
134.03677	0.9
135.04449	1.3
137.02386	0.5
137.06113	0.2
139.03946	0.4
141.01865	1.5
143.03430	0.6
143.04982	0.3
144.88870	0.2
145.02892	19.2
145.06567	0.4
146.03200	0.7
147.04460	25.4
148.04796	1.3
152.07133	0.9
153.01872	0.3
157.05032	0.5
159.02962	0.6
161.02435	0.5
161.04514	6.3
162.04944	0.2
163.03961	76.8
164.04306	3.3
173.04549	0.4
179.03494	0.2
179.05580	0.4
183.02968	5.1
184.03314	0.2
191.05690	1.1
191.07115	0.2
193.05025	0.3
201.04033	33.4
202.04323	1.2
206.07594	0.4
207.08113	1.6
208.08946	0.3
209.09784	0.4
219.05104	1.9
219.08188	0.3
221.06250	0.4
221.09720	12.5
222.10446	3.4
223.11290	4.2
223.16962	0.2
224.11676	0.3
235.06281	0.3
237.09221	12.4
238.09590	1.4
243.05141	9.2
244.05464	0.3
249.09190	1.2
249.14912	0.2
261.06223	6.3
262.06436	0.5
267.07681	0.2
267.10303	3.8
268.10638	0.4
281.09390	0.7
282.09622	0.3
303.07410	0.3
311.09332	3.7
312.09760	0.4
315.19662	1.0
318.18188	0.2
331.08328	7.2
332.08862	0.5
333.16803	0.4
333.20779	6.0
334.21100	0.5
347.07858	0.6
391.10446	19.0
392.10876	1.9
407.09943	9.1
408.10461	1.0
446.17056	0.2
447.17603	0.3
451.14120	4.8
452.14502	0.7
469.15067	0.4
479.20355	0.4
495.26141	6.5
496.26324	0.8
511.08752	0.4
511.16229	6.8
511.23691	0.5
512.16638	1.3
512.23541	0.2
523.19482	0.4
524.19757	0.2
555.14832	2.8
555.21240	0.2
555.28009	0.4
556.15771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	18.2
60.01595	0.2
61.98721	0.7
70.95492	0.5
71.01273	0.2
78.95794	4.8
80.96410	0.8
93.03315	0.2
94.97960	0.2
104.62334	0.1
119.66373	0.1
133.02850	0.3
152.99524	0.9
168.04286	1.2
191.05647	0.2
202.49762	0.1
203.99461	0.2
205.61856	0.2
224.06894	0.9
225.00745	0.2
242.07993	2.2
255.23338	100.0
256.23666	9.4
259.53641	0.1
480.31055	37.0
481.31387	5.8
500.41003	0.2
554.27374	0.6
555.28229	1.0
576.59796	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.7
57.03343	1.9
58.00473	0.7
59.01264	95.8
60.01597	1.1
60.99169	0.4
61.98719	6.2
65.03857	1.5
67.01772	1.4
68.99696	0.6
69.03344	20.3
69.67349	1.3
69.67786	1.6
70.03694	0.5
71.01269	24.3
72.99197	1.6
73.02837	5.6
77.03845	0.8
78.95813	0.4
80.17706	0.4
81.03342	3.1
83.01271	8.6
83.04932	1.9
85.02843	9.2
87.00772	11.9
88.98720	0.4
89.02337	7.8
91.81919	0.4
93.03358	54.9
94.03694	1.5
95.01279	2.8
95.04934	4.1
96.95916	0.4
96.99224	6.6
97.02853	22.4
99.00791	2.5
99.04426	1.0
101.02354	12.5
108.02110	0.7
109.01176	0.4
109.02866	3.8
111.00792	24.5
111.04430	2.7
112.01166	0.5
113.02361	9.2
115.00290	10.9
115.03886	0.3
115.05444	5.3
117.03373	4.4
119.03440	3.3
119.04932	5.7
121.02896	2.9
123.00816	0.4
123.04443	1.7
125.02394	0.9
127.03936	0.8
127.07545	0.9
129.01877	4.0
130.04163	2.1
131.03456	0.5
131.04965	2.8
133.02890	4.6
134.03700	4.4
134.93980	0.4
135.04518	1.8
136.65503	0.4
137.02370	1.9
139.03934	2.0
141.01877	15.1
142.02191	0.4
143.03429	1.7
143.04976	6.1
145.02884	5.5
147.04474	1.7
148.05162	0.5
151.03902	0.4
153.01888	1.5
157.05019	2.1
158.03662	1.1
159.02951	1.4
160.01617	1.1
161.02519	2.4
161.04506	10.2
163.03973	3.0
165.05554	0.4
166.19312	0.4
171.03038	0.6
171.04434	1.0
173.04524	1.2
175.04030	0.7
178.02550	0.4
178.17346	0.4
179.03410	0.9
179.05565	1.6
183.02956	3.3
187.04024	0.6
191.05579	2.6
191.10770	0.6
193.05038	5.2
193.06607	0.7
193.28432	0.4
195.08139	38.6
196.08481	2.8
201.04030	92.9
202.04361	3.7
202.69109	0.4
205.10217	0.4
206.07318	1.8
207.08141	7.4
208.08455	0.6
219.05080	6.3
219.08154	12.5
220.05463	0.5
220.08510	1.0
221.09724	13.5
222.10069	0.8
223.11292	10.6
224.11539	0.9
231.08133	0.5
234.06891	6.5
235.07445	1.2
237.09349	0.6
243.05133	27.0
244.05501	1.8
247.07652	1.4
248.08437	1.9
249.06557	0.9
249.09235	49.2
250.09607	5.3
261.06201	100.0
262.06570	6.0
263.07349	0.5
265.08572	0.6
267.10199	0.9
293.08270	36.8
294.08539	3.2
303.19681	0.6
311.09323	24.3
312.09628	2.9
315.19687	1.5
333.20767	10.6
334.21133	0.8
335.09229	1.0
359.06281	8.7
360.06500	0.7
365.45953	0.4
405.12067	0.6
451.14191	0.9
458.14319	0.5
469.15076	1.2
477.25153	0.5
495.26086	22.8
496.26208	2.0
501.76865	0.4
511.16101	3.9
512.16913	0.6
519.31738	1.9
555.14978	8.5
555.28894	5.8
556.15417	1.3
556.29547	0.8
568.02362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.0
61.51727	0.3
61.98710	0.8
64.21400	0.3
64.79105	0.3
68.88361	0.3
71.01269	0.3
71.49697	0.3
71.50016	0.4
72.60649	0.3
78.95796	22.9
84.94990	0.3
85.02843	0.3
87.00775	0.3
93.03359	1.8
96.13577	0.3
96.96861	0.5
105.03360	0.8
110.60007	0.3
111.04411	0.3
123.29420	0.3
125.09665	0.3
133.02876	5.8
135.04451	0.6
143.68254	0.3
144.16408	0.3
152.99518	3.5
161.02446	0.4
164.45645	0.3
168.04247	3.5
170.92365	0.3
173.04486	3.2
177.01891	1.6
191.05591	1.2
196.35085	0.3
224.06934	9.7
225.07257	0.5
242.07979	2.4
261.22266	0.5
279.23346	100.0
280.23669	9.3
351.07370	0.6
381.20877	3.5
504.31079	78.9
505.31418	11.3
505.39011	0.5
554.28186	0.6
555.25983	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	22.5
65.48804	0.2
66.83225	0.2
69.73757	0.2
78.95800	17.6
79.26320	0.2
80.10029	0.2
86.87240	0.2
96.96877	0.4
98.20563	0.7
122.98445	0.5
152.99547	2.4
168.04272	2.6
224.06944	8.1
225.07246	0.3
242.08003	1.9
255.23346	100.0
256.23691	9.8
355.05249	0.3
402.51129	0.2
480.31079	74.0
481.31421	9.0
575.33685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00959	0.2
59.01266	3.1
60.01606	0.2
61.98719	100.0
62.98423	0.2
71.01283	0.5
71.60759	0.1
71.61180	0.2
75.00787	0.1
85.02870	0.4
89.02363	0.5
97.02866	0.7
101.02382	0.4
113.02345	0.8
119.03472	0.2
161.02467	0.2
161.04556	0.3
179.05612	0.3
189.12880	0.4
190.13228	0.2
191.05643	0.3
191.07234	0.2
205.08719	0.3
206.09065	0.2
287.19992	0.1
299.43292	0.1
313.18121	1.3
314.18527	2.7
326.71735	0.1
330.18018	0.3
331.19159	2.2
332.19586	4.6
333.19965	0.3
356.19586	0.2
373.20215	0.2
374.20728	0.4
375.21240	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	554.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38937	0.2
53.31580	0.2
59.01254	0.6
60.99187	0.5
61.98697	0.2
65.29304	0.2
67.01768	1.4
69.03337	0.3
71.01266	0.7
71.57357	0.3
73.02844	0.3
78.95795	5.6
80.96403	0.4
81.03356	0.2
81.95168	0.2
85.02829	0.3
87.00768	1.7
93.03358	9.8
95.04939	0.2
99.00749	0.3
105.03331	1.2
107.67565	0.3
109.02856	1.0
111.04427	1.4
112.06242	0.2
123.04376	0.2
129.01874	0.2
133.02881	8.4
135.04440	1.3
138.48706	0.2
152.99538	1.0
155.03381	0.2
168.04265	1.3
173.04512	7.2
177.01903	3.1
179.03383	0.4
191.05560	4.0
215.05615	2.6
224.06990	0.8
242.08015	2.4
261.22311	0.5
279.23340	100.0
280.23682	10.2
297.48907	0.2
307.08368	0.3
309.22183	0.3
350.87241	0.2
351.07266	7.1
381.20807	1.8
504.31058	38.2
505.31363	6.3
554.27661	1.1
555.26074	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	554.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96709	0.4
59.01260	4.8
61.98705	1.5
65.99736	2.8
67.01781	0.8
67.57192	0.5
69.72783	1.5
69.73206	1.7
71.01269	2.5
72.99193	0.4
73.02807	0.7
81.03358	0.6
83.04921	1.1
85.02837	6.3
87.00777	2.5
87.01210	0.5
93.03354	7.3
95.04912	0.8
96.95934	0.6
97.02834	0.6
105.03362	0.6
107.04951	0.8
108.02068	5.3
109.02339	1.2
109.02976	0.9
110.02520	0.7
111.04426	3.5
113.02315	0.6
117.03361	0.8
119.04935	2.8
121.02867	3.6
122.03169	1.3
127.03934	1.8
129.01880	0.6
129.03354	0.5
133.02876	5.0
134.03685	3.0
135.04446	42.0
136.04739	2.3
137.02386	3.8
139.03955	0.8
145.02878	3.7
147.04451	25.6
148.03815	0.7
148.04819	1.5
149.16496	0.5
152.01093	7.8
153.01414	4.7
154.01514	3.5
155.01883	1.4
155.03435	3.1
156.04604	0.6
157.26599	0.4
161.02371	8.4
163.03899	1.8
164.04259	0.5
172.04005	2.0
173.02390	8.8
173.04533	14.6
174.05563	18.1
175.03993	0.6
175.05872	1.1
176.03519	1.1
177.01949	1.0
178.02658	3.9
179.03455	35.2
180.03827	2.2
191.05577	100.0
192.05934	5.2
200.03510	21.4
201.03941	1.6
211.07620	2.1
212.07993	2.4
214.21739	0.5
218.04578	37.8
219.04836	2.9
230.06714	1.0
281.03165	0.5
335.07892	2.9
347.07599	0.5
353.08859	37.4
354.09280	4.4
374.08850	7.1
392.09964	51.2
392.53030	0.6
393.10242	5.9
430.10281	0.6
431.10995	1.6
432.11578	2.3
494.11981	0.7
554.14783	14.9
555.14673	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98855	18.9
53.78592	20.2
59.01261	38.5
61.98721	100.0
71.57259	28.9
75.62701	20.6
78.95777	41.4
114.39732	20.7
116.01276	21.0
136.12863	20.9
166.93948	21.2
179.03450	27.8
255.23227	28.5
277.21783	42.0
364.04587	22.1
509.47537	29.2
553.33508	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73666	0.2
59.01264	2.3
59.32400	0.2
64.38736	0.2
71.01262	0.8
71.58095	0.2
73.02846	0.4
78.95792	55.9
82.77412	0.2
83.01297	0.2
83.04926	0.2
85.02800	0.3
87.00758	0.4
89.02335	0.3
93.03324	0.2
96.96863	47.1
97.02837	0.4
101.02350	0.6
102.98489	0.2
113.02351	0.4
119.04929	0.2
133.02878	0.3
135.04446	0.6
145.02919	0.3
147.04431	0.2
152.95457	0.2
161.02341	0.8
163.04025	0.2
179.03416	0.3
191.05617	0.6
218.04053	0.2
219.13831	0.2
233.09494	100.0
234.09819	6.5
331.19165	1.3
332.19669	0.2
349.20132	0.3
360.65143	0.2
391.10574	0.4
439.35907	0.2
493.25113	0.3
511.24881	0.3
553.26257	1.2
554.26715	0.2
581.54700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.5
57.03353	1.1
58.00482	1.9
59.01266	100.0
60.01593	1.0
63.27439	0.4
69.41608	3.7
71.01271	27.8
72.99191	2.0
73.02840	1.0
75.00758	0.6
78.95784	0.5
83.01275	1.5
85.02847	6.8
87.00790	2.2
89.02341	47.8
90.02709	0.6
95.01289	2.2
97.02879	0.4
97.06481	1.6
99.00780	1.1
101.02354	17.6
109.02885	0.9
111.00803	0.7
113.02361	16.6
119.03423	21.5
123.35535	0.4
125.02349	0.8
131.03424	3.5
139.00374	0.5
143.03439	6.1
149.04475	2.2
161.04518	6.0
179.05585	19.2
180.06018	0.6
191.05495	1.1
191.07103	6.5
205.08690	4.6
206.09206	0.7
207.10307	3.1
221.08182	1.0
222.16170	0.4
313.18173	37.2
314.18518	4.7
331.19250	0.6
493.24527	13.6
494.24747	2.0
552.75287	14.4
553.25555	7.4
553.75543	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64461	0.4
57.03335	0.4
59.01259	2.7
61.98697	0.4
63.79868	0.4
63.96126	0.7
66.07690	0.4
69.03339	0.5
69.75632	2.5
71.01266	7.9
73.02846	1.7
78.95806	1.8
78.98479	4.7
79.95626	10.2
80.96411	60.3
81.03346	0.8
85.02845	3.2
87.00774	2.1
93.03340	0.8
94.97982	15.0
96.95905	1.3
97.02844	1.4
98.20589	0.5
99.04418	0.7
101.02367	2.5
106.97979	3.2
111.85758	0.5
113.02338	0.5
122.20776	0.5
122.97500	3.8
125.02374	2.8
127.03943	1.1
133.02888	1.6
134.97496	4.7
135.04472	0.6
136.99065	1.2
137.02391	0.7
147.24211	0.4
148.99074	6.2
152.98560	5.2
152.99646	0.6
157.78090	0.4
160.95551	0.5
161.02364	2.3
164.98582	11.0
165.00011	0.7
173.04559	0.6
179.03519	0.6
188.98666	0.5
189.05498	0.5
191.05592	1.9
206.99673	2.2
224.06943	0.7
225.00754	16.0
226.00891	0.5
227.08713	0.4
253.21825	2.4
279.23358	8.2
299.04456	3.6
502.51501	0.4
504.31137	6.6
529.26117	0.5
545.27173	0.8
553.26984	100.0
554.27301	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	23.0
60.01608	0.3
61.98712	0.4
65.96754	0.3
69.03370	0.3
69.32880	0.3
70.09447	0.7
71.01279	1.4
72.99175	0.3
73.02829	0.4
78.95792	0.2
80.96364	0.3
81.03343	0.3
83.01294	0.3
85.02840	0.8
87.00793	0.4
93.03362	0.7
97.02880	0.4
99.00748	0.4
101.02333	0.5
104.62199	0.3
108.02072	1.7
113.02351	0.5
116.09680	0.2
119.04952	2.4
120.99580	14.2
121.02908	1.3
123.04451	2.9
124.01587	1.0
124.73574	0.3
125.02385	0.4
133.02882	0.7
134.03667	1.5
135.04456	10.5
136.05243	6.3
137.02438	0.6
145.02885	0.6
147.04469	0.4
150.03168	1.0
150.06906	0.3
151.03976	2.4
151.07597	4.2
160.01675	0.3
161.02396	1.2
161.04538	0.3
163.03943	0.5
175.03931	0.4
179.03418	0.8
183.13821	0.4
189.12773	0.4
191.05582	1.0
191.07169	0.3
193.04997	0.3
195.06613	100.0
196.06972	6.1
213.14984	4.6
214.15256	0.5
217.87543	0.2
240.89867	0.2
253.08562	0.2
255.16280	0.3
275.29428	0.2
287.20273	0.3
313.18188	1.8
331.19287	2.7
339.10995	0.9
349.20352	0.5
535.19733	0.3
553.13599	0.3
553.26984	2.7
554.27332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52216	0.2
55.01779	0.4
57.03337	0.3
58.00483	1.2
59.01266	100.0
60.01615	1.0
67.82673	0.2
69.63961	1.4
71.01272	15.4
72.01614	0.3
72.99207	1.0
73.02842	0.8
76.08253	0.2
83.01294	0.9
85.02837	2.8
87.00770	1.1
89.02341	22.8
90.02692	0.3
93.03339	0.2
95.01274	1.1
97.02831	0.3
99.00767	0.3
101.02348	11.4
108.01994	0.2
109.02860	0.3
111.04470	0.3
113.02360	7.6
117.03344	0.2
119.03420	12.4
119.04876	0.4
119.72095	0.2
120.03770	0.3
123.08073	0.3
124.01815	0.2
125.02358	0.3
131.03455	1.2
134.03664	0.2
142.14999	0.2
143.03435	1.8
145.02901	0.7
149.04561	0.9
159.03011	0.2
161.02406	0.3
161.04488	2.5
161.05705	0.3
163.03978	0.3
163.11261	0.5
165.37077	0.2
173.04500	0.2
176.04810	0.2
179.03465	0.7
179.05577	5.2
191.05516	0.3
191.07100	0.5
194.05783	0.4
199.09697	0.3
203.14421	0.6
205.08664	0.5
209.08209	0.6
211.07677	2.0
212.07997	0.4
221.15506	0.3
269.19211	0.5
281.03110	0.2
287.20340	0.3
303.19803	0.4
313.18250	0.6
331.19232	21.7
332.19598	2.6
333.10260	0.2
341.05283	0.5
386.60916	0.2
414.39841	0.2
493.24554	24.2
494.24869	4.4
553.26642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
58.98413	0.3
59.01265	23.6
61.98703	0.8
65.27596	0.3
69.03330	0.9
70.42976	1.0
70.43303	0.3
71.00909	0.4
71.01270	6.6
71.04910	0.4
72.99184	0.6
73.02845	3.7
75.00768	2.7
81.03305	0.7
83.01270	0.9
85.00568	0.5
85.02847	2.1
89.02349	1.7
93.03362	2.1
93.06920	0.4
95.04924	1.0
96.95912	6.4
97.02257	0.5
97.02853	7.4
97.06475	1.0
98.95451	0.4
99.00757	1.1
100.01544	0.5
101.02345	5.5
107.04946	0.7
109.02872	2.2
109.06503	0.6
111.00780	0.5
111.04416	0.8
113.02361	2.7
117.03361	2.6
119.03461	0.4
119.04942	4.0
119.77282	0.3
120.05274	0.3
121.02859	0.8
121.06438	0.4
123.04412	0.6
123.08067	3.2
125.02361	1.1
127.07570	20.2
128.07901	0.9
129.01833	0.5
131.03339	0.6
133.02899	2.8
134.03636	0.6
135.04468	2.6
137.02342	1.4
137.09575	0.4
143.03444	0.6
145.02898	7.8
147.08070	1.1
149.05962	0.3
149.09705	0.3
150.03131	0.4
151.03961	0.4
155.03482	0.5
161.02405	6.0
161.04475	0.8
161.09650	0.8
162.02844	0.6
163.02834	0.5
163.03955	3.4
163.11176	0.9
165.05544	2.8
165.09143	1.2
173.04538	1.0
175.07562	0.3
177.01871	0.8
177.05466	0.3
177.09132	0.4
179.03523	2.0
181.05074	0.4
181.08591	1.0
183.10161	0.5
189.05476	0.6
189.09244	0.5
189.12776	0.7
191.05595	2.2
191.07106	22.2
192.07445	1.2
203.14397	2.6
205.08694	15.9
206.09349	1.7
207.10332	2.0
211.07655	10.5
212.07970	0.7
215.07350	0.4
221.08218	3.0
221.15506	0.4
222.08583	0.4
225.05644	0.5
225.07690	3.5
240.07880	0.4
256.09637	0.5
265.82803	0.4
269.19177	0.8
271.09583	0.5
280.78940	0.4
281.03113	1.9
283.07486	0.4
285.18597	0.5
287.20233	0.9
303.12570	0.4
305.21497	0.7
311.20148	0.5
313.18167	12.3
314.18570	1.5
315.09613	0.3
315.19684	0.4
329.21353	0.9
331.19214	92.5
332.19534	11.0
340.41605	0.3
341.05261	2.9
345.11017	0.4
345.20862	2.0
349.20270	100.0
350.20596	12.0
353.09149	0.4
355.19159	0.7
361.19739	0.4
363.21756	2.2
373.20297	9.7
374.20639	1.3
385.20251	0.7
391.21384	3.1
392.21487	0.6
403.21411	1.0
421.22281	0.8
475.23227	0.4
493.24442	0.7
532.93396	0.4
535.25781	0.4
553.14752	1.8
553.27264	7.5
554.13800	0.6
554.27460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
58.00500	0.6
59.01268	37.3
61.98722	18.0
70.06838	1.9
71.01277	8.3
71.80990	0.5
72.99216	1.1
75.00755	0.8
81.03365	0.6
83.01264	0.9
83.04927	1.6
85.02846	4.3
87.00790	0.7
89.02338	9.0
89.48911	0.4
90.02671	0.5
95.01302	0.9
97.02871	3.4
101.02356	5.1
106.47849	0.5
109.02853	1.3
111.04435	1.9
113.02364	9.2
114.02726	0.5
119.03432	4.3
119.04934	0.6
122.03698	0.5
127.07539	1.1
131.03439	0.5
133.02887	1.3
135.04453	1.3
137.02412	0.7
143.03496	0.9
143.19728	0.4
147.04446	0.6
161.02425	1.1
161.04530	3.1
162.72882	0.5
173.04504	0.7
177.75050	0.4
178.02664	0.7
179.03493	0.7
179.05595	4.8
189.12852	5.2
191.05539	1.3
191.07191	1.4
195.06679	3.1
205.08719	3.8
269.19180	1.2
287.20221	5.1
313.18192	25.6
314.18582	2.9
331.19232	100.0
332.19592	12.2
345.20795	1.6
349.20035	0.6
355.19363	2.5
373.20331	9.1
374.20532	0.8
403.21329	0.9
456.23669	0.6
456.73581	0.9
535.19830	0.9
553.20502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65625	0.4
55.33035	0.3
57.03337	0.6
59.01265	23.5
69.03339	0.9
69.22830	2.3
69.23264	2.2
69.59386	0.4
71.01267	5.8
73.02837	5.4
75.00755	3.3
83.01292	1.2
85.02848	2.7
87.00773	0.7
89.02334	1.0
93.03373	1.1
95.04945	0.6
97.02843	6.6
101.02339	10.5
105.03374	0.5
106.42909	0.4
107.04950	0.4
109.02885	1.4
111.00798	0.9
111.04363	0.5
113.02348	5.1
117.03406	0.5
121.02831	0.5
123.04394	0.5
123.08082	1.3
127.07571	20.9
128.07899	0.5
129.01845	0.4
131.03438	1.6
132.02101	1.5
133.01854	0.9
133.02876	19.5
134.03781	2.1
135.04448	21.0
136.04762	0.8
137.02362	0.7
139.03940	0.7
143.03494	0.4
145.06500	0.9
147.04463	2.7
147.08099	2.1
155.03415	0.8
159.08125	0.5
159.11769	0.6
161.02390	44.9
161.09674	3.4
162.02745	2.7
162.51530	0.5
163.03984	0.8
163.07573	0.7
163.11241	3.4
165.05568	0.6
165.09164	1.2
175.11185	0.5
178.02589	0.7
179.03465	24.3
180.03806	1.4
181.08658	1.0
189.05464	0.9
189.09209	0.6
191.07103	22.8
192.07538	1.4
201.09196	3.2
203.10739	2.3
203.14359	0.9
205.08679	17.6
206.09193	1.5
207.10260	1.0
209.08128	0.5
215.07166	1.3
218.09404	0.5
221.08180	2.3
229.08635	0.6
257.08267	0.9
269.19098	1.3
285.18536	0.9
287.20236	1.0
301.07370	0.5
313.18155	6.9
314.18600	0.4
327.19763	1.2
329.21280	1.6
331.19223	100.0
332.19571	12.2
343.19104	0.5
345.20712	1.5
349.20273	75.5
350.20596	9.9
363.21735	1.2
373.20270	15.3
374.20438	2.0
385.20410	1.3
391.21362	2.7
403.21298	1.5
415.21344	1.4
421.22415	1.2
475.23795	0.6
481.27618	0.4
493.11462	1.2
505.45505	0.4
553.13733	8.6
553.22107	0.6
553.26154	0.4
554.14056	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.6
57.50962	0.2
58.00480	0.6
59.01267	56.1
60.01609	0.5
61.98717	1.6
63.38419	0.2
69.03356	0.8
69.38609	0.6
69.39010	2.6
71.01274	8.9
72.99200	0.8
73.02837	0.9
75.00769	1.3
81.03355	0.8
83.01305	0.9
85.02843	4.4
89.02341	8.0
95.01296	1.9
95.47757	0.3
97.02854	15.4
97.06501	0.4
98.03243	0.4
98.20577	0.6
101.02351	5.2
105.07005	0.3
109.02895	0.7
113.02360	9.6
119.03429	4.8
121.06554	0.5
122.03655	1.9
123.04492	0.5
123.08057	0.4
127.07573	6.9
128.07896	0.3
131.03439	0.5
135.04445	0.7
135.08070	0.5
137.02264	0.3
138.61528	0.3
143.03450	0.3
145.10112	0.3
155.38506	0.3
159.08104	0.6
161.02393	0.8
161.04518	2.6
161.09653	0.8
163.11229	0.5
165.05479	0.4
165.09190	0.4
173.09619	0.5
175.11148	0.3
178.02690	0.3
179.05554	2.0
179.10783	0.5
186.07022	0.3
187.11285	0.8
189.12840	18.6
190.13216	1.3
191.05524	0.5
191.07117	4.4
192.07463	0.3
203.14368	1.9
205.08690	13.1
205.12320	0.8
206.09129	1.2
207.10272	2.9
221.08217	0.3
221.15477	0.6
229.16048	0.4
243.13834	0.6
245.15398	0.4
247.09763	0.4
251.17999	0.3
253.08890	0.3
254.09512	0.4
267.17679	0.3
269.19189	6.0
270.19571	0.4
281.15588	0.3
283.17105	3.9
284.17319	0.5
285.18698	0.5
287.20181	1.3
295.16995	0.7
304.65839	0.3
311.20285	0.9
313.18170	100.0
314.18527	11.4
331.19226	93.8
332.15533	0.6
332.19531	10.5
337.18213	0.7
345.20871	1.0
355.19202	4.4
356.19406	0.6
367.19351	0.5
373.20331	4.0
374.20401	0.6
403.21408	0.4
445.05118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60302	0.8
53.04581	0.6
55.01764	1.7
57.03327	1.7
59.01268	77.8
60.01601	1.3
69.74912	3.9
71.01273	31.1
72.51731	0.8
72.99190	1.7
73.02845	9.5
75.00796	0.8
83.01282	5.2
85.02844	17.7
85.03355	0.9
87.00773	2.4
89.02328	4.9
95.01300	2.2
96.95927	1.7
97.02834	1.4
99.00784	4.5
101.02351	27.6
101.03014	1.5
102.26920	0.8
105.97445	0.7
107.65800	0.7
111.00820	0.8
113.02357	13.4
119.03434	0.8
119.04913	0.8
124.55692	0.7
125.02384	1.0
129.01875	1.3
143.03416	1.3
149.04515	0.7
150.29837	0.8
159.02928	3.2
161.04501	15.8
162.04883	1.0
163.03993	1.3
167.86176	0.7
191.05568	5.8
205.03474	0.8
236.71048	0.8
255.83096	0.7
291.88657	0.9
326.64920	0.9
331.17712	10.4
337.09372	1.7
342.74634	0.8
382.69702	0.9
493.23053	100.0
494.23337	15.1
537.21814	2.8
553.14215	1.0
553.25043	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.6
58.02857	0.4
59.01264	1.7
59.39963	0.1
61.98727	0.4
65.00229	0.6
67.01794	0.2
69.03342	0.2
69.76294	0.1
71.01279	0.2
71.57102	0.1
74.02368	0.8
76.52791	0.1
78.32785	0.1
78.95789	0.2
79.33952	0.1
81.03345	4.0
81.07854	0.1
82.02884	0.2
83.01286	0.9
85.06461	0.6
85.10287	0.1
87.00768	0.1
87.04417	0.5
87.05523	0.3
88.98721	0.3
93.03358	0.1
95.04931	0.2
96.04459	0.4
96.95883	0.1
97.02884	0.2
97.03974	0.3
98.02372	0.2
99.05550	0.5
101.02380	0.3
107.01291	0.5
107.04936	0.2
108.04464	0.3
109.06503	1.9
110.02370	0.2
111.04423	2.9
111.05143	0.2
112.03940	0.5
112.07596	0.4
113.03481	0.1
121.02866	0.3
122.03670	1.2
122.06108	0.1
123.04474	0.1
123.08071	0.3
124.03964	0.4
125.02370	4.7
125.04772	0.1
126.02687	0.2
126.04240	0.1
127.05049	0.5
127.07591	0.3
133.02914	0.2
133.06529	0.3
135.04469	0.5
136.05225	0.2
137.07156	0.1
140.07072	0.5
143.04575	0.2
146.18718	0.1
149.02444	0.6
149.06032	0.1
151.00305	0.9
151.07588	23.3
152.07928	1.1
153.05452	0.3
155.08185	0.9
161.02402	0.3
165.06631	0.6
167.03487	0.1
170.98738	0.1
173.04396	0.1
176.04095	0.1
177.05551	0.7
179.03476	0.3
183.07738	1.2
191.05653	0.3
191.07164	0.3
195.06604	100.0
196.06944	5.7
219.06625	0.3
225.05119	0.1
227.06732	3.9
228.07144	0.3
237.07669	0.5
261.05530	5.0
262.05759	0.3
329.21313	0.1
346.88312	0.1
402.79367	0.1
432.74564	0.1
553.26300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49943	0.5
55.01772	1.5
57.03331	4.0
59.01265	44.5
60.01616	0.6
61.98734	2.4
65.00195	0.5
67.01791	0.6
68.08933	0.6
69.03339	2.5
71.01270	24.7
71.58681	0.7
72.99200	5.5
73.02835	5.5
75.00763	29.8
78.95814	2.1
81.03387	0.7
83.01263	4.7
84.02087	0.7
85.02845	30.9
86.03167	0.7
87.00777	7.7
87.04442	0.5
88.98702	0.8
89.02343	3.2
93.03338	2.6
95.01289	3.2
96.95882	0.9
97.02833	3.9
99.00770	10.2
99.01353	0.9
101.02348	9.3
103.00272	0.7
104.54372	0.6
107.04926	1.0
109.02879	2.2
111.00798	3.5
111.04456	1.6
112.01537	0.9
113.02357	27.7
114.02713	1.1
115.00293	2.0
116.01069	0.8
117.01865	1.9
117.03382	5.8
119.04947	16.3
120.01180	1.9
121.02897	1.9
121.20546	0.5
122.03701	0.5
123.04421	0.9
123.08083	1.5
125.02374	1.4
125.53790	0.5
127.07614	0.7
129.01854	1.4
131.03462	0.6
132.02075	2.5
133.02884	42.4
134.03783	3.2
135.04451	43.0
136.04813	2.1
137.02380	2.8
143.03438	1.1
145.02887	17.2
147.04417	4.7
149.02356	1.2
149.06030	0.7
150.03148	2.4
152.99545	0.5
157.01407	1.1
159.03088	0.6
159.04427	1.2
160.01669	0.6
161.02393	89.2
161.04567	2.4
162.02730	5.2
163.03958	16.9
164.04333	0.7
165.05562	2.1
173.04457	2.4
174.03185	0.7
175.02429	3.3
175.03842	0.9
178.02628	1.3
179.03462	48.1
180.03853	2.7
191.05600	5.9
191.07137	0.9
195.06613	1.9
201.03949	0.8
201.05580	1.0
203.03596	0.7
205.08731	0.8
211.07602	1.1
215.07109	2.5
232.15523	0.6
233.04649	0.9
239.07173	1.0
241.59404	0.5
243.05170	0.6
257.08273	2.3
259.06125	0.9
261.22269	0.7
267.06665	0.6
271.02481	0.7
291.18338	2.6
313.17941	1.2
319.08505	0.5
329.14008	0.6
329.17664	3.2
331.19257	3.9
331.78149	0.5
347.18649	0.7
349.16666	0.9
349.20386	5.1
350.20688	0.8
353.08804	0.6
371.18738	1.0
373.19821	0.7
391.21280	1.1
405.21341	2.6
421.13181	0.6
423.22498	0.6
449.12585	1.2
449.20129	0.7
457.13705	2.8
493.11719	1.8
493.24762	1.8
505.18011	1.3
509.22498	100.0
510.22897	12.6
511.25604	0.8
553.13623	21.7
553.26904	2.3
554.13910	5.2
554.27069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.3
55.55878	1.4
57.03329	4.6
59.01266	57.8
61.83258	1.2
61.98730	2.4
69.03339	3.9
71.01272	52.8
71.57794	2.4
72.99197	13.1
73.02842	18.7
75.00782	7.2
76.73676	1.2
78.95786	3.7
81.03350	2.3
83.01270	9.6
83.04922	1.4
85.02846	24.4
87.00780	6.9
87.65060	1.3
89.02347	14.1
89.03809	1.6
93.03344	9.7
95.01263	4.1
95.04905	2.0
96.95885	1.5
97.02870	8.0
99.00786	13.0
99.04417	1.5
101.02350	31.0
106.61493	1.5
107.04964	1.8
109.02863	3.8
111.00784	5.0
113.02365	24.0
115.03925	2.4
117.03378	28.0
119.04945	97.0
120.05296	2.8
120.99574	2.7
121.02862	4.8
123.04413	5.7
123.08080	2.6
125.02393	7.2
129.01854	5.1
129.79185	1.4
131.03421	2.6
132.02097	3.6
133.01846	2.2
133.02876	46.4
134.03738	6.4
135.04448	46.5
137.02354	5.3
139.03909	2.8
143.03476	2.2
143.04842	1.8
145.02893	79.0
146.03235	4.4
147.04439	5.6
149.02370	1.8
149.04550	2.2
150.03113	2.0
159.02928	2.3
159.04417	1.6
161.02394	100.0
161.04405	17.2
161.05896	2.6
162.02774	7.1
163.03964	70.1
164.04308	2.7
165.05492	2.0
173.04533	3.9
174.03119	1.6
178.02625	2.3
179.03474	49.8
180.03856	3.6
183.02989	3.5
185.06091	1.5
191.05605	12.0
191.07178	2.0
193.05000	2.7
195.06606	1.6
195.08157	1.5
198.58739	1.3
203.07104	1.9
205.05032	2.2
211.07603	5.1
215.07123	3.0
219.04842	1.4
223.07570	2.4
233.06638	3.9
239.06900	2.2
244.93729	1.2
247.07819	1.3
247.10805	1.4
257.08246	4.5
281.03036	1.4
284.03381	2.3
285.04037	2.7
285.07416	1.8
287.20389	2.0
293.08850	3.8
301.07053	1.6
303.75940	1.4
329.06790	1.8
329.17636	3.8
331.19141	11.9
332.19327	2.2
348.18777	1.7
349.20200	5.0
361.12970	18.4
373.20160	2.0
381.09613	1.9
391.21344	2.7
407.09885	2.2
421.12854	3.6
439.12338	4.5
449.12589	3.1
457.13589	32.0
458.14075	4.3
493.11710	3.9
493.17328	86.6
493.24255	4.9
494.11353	2.1
494.17737	14.6
509.22598	10.7
510.22552	1.8
553.13232	42.0
553.26904	4.0
554.13770	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	553.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.9
59.01268	24.9
65.03868	1.5
66.25462	0.5
67.01794	0.5
68.36980	0.6
69.03355	1.3
71.01276	5.4
71.40681	0.8
73.02847	1.3
77.03863	0.7
78.95798	25.9
81.03363	1.8
83.01264	0.8
83.04908	3.9
85.02858	1.7
86.02099	0.5
87.00783	1.8
93.03363	35.0
94.03724	0.7
95.01297	2.8
95.04932	6.7
96.96870	19.5
96.99228	1.5
97.02882	2.6
98.00011	2.3
99.00819	1.2
99.04445	0.8
106.04185	0.8
108.02084	14.9
109.02399	2.9
109.02921	2.4
110.02532	1.2
111.00822	1.7
111.04443	11.8
113.02343	0.7
115.00309	1.5
117.03388	5.8
119.04951	95.2
120.05286	5.0
121.02879	7.9
122.03236	1.3
123.04420	1.4
129.01877	0.7
131.04944	1.1
132.05756	0.6
133.02957	0.9
137.02386	22.4
137.03442	1.3
138.02739	1.0
139.00323	0.8
139.03938	8.1
143.04976	5.7
144.05333	0.7
145.02890	14.5
145.06491	0.8
146.03239	0.8
147.04460	0.6
152.01102	24.2
153.01433	9.4
154.01558	5.3
155.02213	1.2
155.03458	14.6
156.03857	0.8
163.03966	90.8
164.04320	5.3
171.04570	0.9
173.04543	1.6
181.05202	0.5
183.02942	2.6
183.08136	0.6
191.05580	1.4
201.03992	1.6
209.06070	0.6
210.06873	13.0
211.07649	77.5
211.83141	0.6
212.08028	6.1
219.05185	1.0
221.19427	0.6
223.07753	0.7
233.09497	18.4
234.09846	1.2
235.07751	1.9
237.09253	2.2
239.10757	1.3
243.05063	3.6
265.08685	5.2
271.09897	0.6
281.03122	17.1
282.03467	1.7
283.09879	6.0
291.06708	1.4
307.09845	1.8
309.07739	1.8
319.08307	100.0
320.08664	10.5
327.08893	7.3
328.09207	0.9
333.07785	1.6
341.05084	1.1
417.39896	0.6
429.10330	1.1
430.10715	2.1
431.11023	6.7
493.11526	9.7
494.11670	1.9
553.14508	39.6
554.14905	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	553.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
57.13707	0.3
59.01266	29.4
60.01593	0.8
60.99179	0.3
61.98714	0.3
62.40884	0.3
62.68760	0.3
65.03840	0.6
67.01777	0.5
69.03340	1.4
69.93393	0.3
71.01271	10.6
72.01616	0.4
72.99192	0.9
73.02839	1.5
74.47427	0.3
75.00768	1.3
77.03857	1.3
78.95800	2.5
80.02557	0.7
81.03349	1.3
83.01287	0.6
83.04930	0.8
85.02863	2.3
86.03162	0.4
87.00764	1.4
88.98704	0.8
89.02336	4.6
93.03360	11.8
94.03708	0.4
95.01294	0.9
95.04927	10.1
96.05264	0.3
96.96848	1.5
96.99229	1.6
97.02863	2.0
97.99993	4.5
99.00793	3.0
101.02348	2.6
106.04171	0.5
108.02079	0.7
109.02838	1.4
109.53680	0.3
111.00751	1.4
111.04430	4.5
113.02338	1.7
115.00297	1.5
117.03361	2.4
119.03522	0.8
119.04945	33.6
120.05285	1.2
121.02887	2.4
123.04479	1.4
123.08080	0.3
125.02373	0.4
129.01825	0.6
131.03456	0.7
131.04951	1.2
132.05705	1.0
133.02878	1.0
134.03709	0.4
135.04424	1.0
137.02374	0.9
139.00259	0.5
139.03951	11.7
140.04256	0.3
143.04947	5.9
145.02881	3.9
145.06528	0.8
147.04448	0.8
149.04480	2.0
150.04749	0.4
151.03893	0.4
155.03407	0.6
155.31328	0.3
159.04372	0.4
161.04494	0.7
161.05861	0.3
163.03955	32.3
164.04303	1.7
165.05586	0.6
171.04462	0.5
171.90468	0.3
173.04533	2.4
175.04048	0.4
179.03421	0.4
182.07314	0.3
183.02934	2.5
183.08051	0.6
186.32097	0.3
191.05576	7.2
192.05923	0.8
193.05009	0.4
201.03966	0.4
209.06082	1.3
210.06850	13.0
211.07637	100.0
212.07976	8.4
219.08095	0.4
221.09727	0.8
223.07613	0.9
229.46751	0.3
235.07722	1.5
237.09270	2.7
238.09561	0.4
239.10721	1.9
241.05026	0.4
243.05093	2.5
243.16093	0.4
249.06055	0.5
251.07613	0.5
263.07376	0.3
265.08743	4.8
266.09222	0.4
267.07263	0.8
271.09875	0.9
281.03094	23.8
282.03497	1.4
283.06656	0.7
283.09830	10.1
284.10181	0.8
303.21780	0.5
307.09976	0.4
308.14218	0.3
309.07782	1.8
327.08810	11.9
328.09137	1.2
337.09457	0.3
341.05304	2.2
397.14294	0.5
481.05621	0.3
493.11536	17.8
494.11816	2.8
505.26752	0.6
506.27213	1.3
507.21561	0.7
507.28079	0.6
544.62531	0.3
552.24957	1.2
552.32184	0.6
552.75397	2.5
553.13672	10.1
553.25269	3.1
553.33575	1.4
554.13831	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	553.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99069	0.4
59.01266	27.8
60.01607	0.5
60.99184	0.5
69.03340	1.3
71.01272	9.1
71.58076	0.4
71.58499	0.5
72.99203	0.7
73.02845	1.2
77.03857	1.5
80.02571	0.6
81.03364	1.1
83.01279	1.0
83.04923	1.2
85.02849	2.6
87.00774	1.0
88.98710	3.1
89.02354	1.8
93.03358	10.6
95.01295	0.8
95.04929	10.3
95.05527	0.7
96.95913	0.6
96.99226	0.8
97.02853	2.0
98.00002	3.9
99.00798	1.6
101.02359	1.5
107.04942	0.7
108.02065	3.0
109.02862	1.5
110.37690	0.4
111.00771	0.7
111.04420	4.0
112.32324	0.4
113.02368	1.7
115.00298	1.6
117.03367	2.8
119.04946	30.8
120.05283	1.7
121.02874	3.9
122.03259	0.6
123.04436	1.7
127.03966	0.6
130.04193	0.4
131.04956	1.2
132.05746	0.9
133.02872	2.6
134.03677	1.8
135.04457	10.1
136.04730	0.4
137.02379	1.6
139.03951	11.3
143.04959	4.4
145.02895	3.3
145.06488	0.6
147.04469	3.0
149.06064	0.4
151.03993	0.9
152.01105	4.2
153.01469	1.3
155.03545	0.6
159.04463	0.6
161.02367	2.7
161.04488	0.4
163.03963	28.0
164.04338	1.4
167.03455	0.4
171.04491	0.6
173.02411	0.9
173.04555	2.1
174.05617	1.9
177.01952	0.4
178.02563	0.6
179.03464	8.3
183.03041	2.1
183.07974	0.6
191.05589	18.3
192.05923	1.0
200.03568	1.9
201.01813	0.4
201.03906	0.5
209.06096	1.0
210.06863	11.2
211.07649	100.0
212.07968	7.2
216.99188	2.0
218.04607	3.0
221.09563	0.5
234.99368	0.8
235.07658	1.4
237.09256	2.2
239.10812	1.3
243.05075	2.2
250.06517	0.6
265.08746	4.6
266.08847	0.5
271.09695	0.8
281.03085	20.3
282.03378	1.4
283.09808	8.7
284.10120	0.9
309.07806	1.6
327.04922	0.7
327.08783	10.1
328.09106	1.3
335.07928	0.5
341.05099	1.8
353.08881	10.0
354.08820	0.8
374.08786	1.0
391.04483	3.8
392.05240	0.7
392.09973	5.4
431.10870	1.1
493.11572	16.7
493.23160	1.7
494.11774	3.2
552.75366	0.5
553.07092	1.2
553.14044	13.9
553.24280	0.7
553.32300	1.2
554.14166	2.5
577.56781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.1
61.98708	0.3
69.03350	0.6
71.01270	1.3
72.99169	0.3
73.02831	0.8
78.95779	0.4
79.52837	0.4
83.01288	1.3
85.02840	0.7
87.35538	0.3
93.03373	1.4
93.66428	0.4
95.04896	0.5
97.02861	1.5
99.00793	0.4
101.02350	0.9
104.26967	0.3
105.03362	0.6
107.04910	0.4
109.02877	1.3
111.00798	2.1
111.04424	0.4
112.41022	0.3
113.02374	1.0
117.03388	1.0
119.04948	0.4
121.02879	1.0
123.04481	0.4
127.07590	1.6
132.02115	2.6
133.02882	40.0
134.03777	3.0
135.04453	46.2
136.04803	1.9
137.02368	1.8
145.02869	0.5
147.04465	6.1
148.04839	0.4
159.04408	0.4
161.02391	100.0
162.02724	4.4
163.03899	0.6
177.01945	0.8
178.02660	1.6
179.03467	56.3
180.03804	2.8
187.07651	0.6
191.05650	0.7
191.07155	1.1
192.07567	0.4
201.05614	0.7
205.08664	1.0
215.07149	3.5
217.63203	0.3
233.04454	0.7
239.07237	0.5
257.08240	2.0
259.06183	0.8
269.08289	0.5
301.07248	0.8
302.80753	0.3
331.08392	0.4
331.19247	7.7
332.19595	0.7
349.20258	7.4
350.20743	0.7
353.79907	0.4
373.20407	1.1
409.46811	0.3
421.12857	0.7
449.12677	1.5
450.12698	0.5
493.11447	2.0
493.19458	0.5
553.13715	21.7
553.22845	1.4
554.13989	4.5
554.21771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29226	0.1
50.93188	0.1
52.31634	0.1
53.81871	0.1
54.87339	0.1
55.01796	0.1
59.01266	7.5
61.91155	0.1
61.98733	0.1
66.90638	0.1
69.03356	0.6
71.01279	0.5
72.99213	0.5
73.02843	0.2
77.03879	0.2
81.03359	0.3
83.01298	1.3
83.04961	0.2
85.02910	0.3
85.37450	0.1
87.00793	0.5
89.02334	0.4
89.03874	0.5
91.05435	0.3
93.03363	1.3
94.46473	0.1
95.01283	0.3
95.04935	0.6
97.02866	1.0
98.20596	0.2
99.00787	0.3
101.02363	0.5
104.02616	0.2
105.03366	0.8
107.04926	0.7
109.02866	2.0
111.00790	2.1
111.04445	0.5
113.02390	0.3
115.01814	0.3
117.03388	0.9
119.03520	0.2
119.04948	2.9
120.05258	0.2
121.02841	0.9
123.04457	0.3
124.57636	0.1
129.01831	0.2
132.02101	2.9
133.02887	44.5
134.03767	3.1
135.04453	46.9
136.04787	2.1
137.02380	1.9
139.03943	1.0
145.02908	0.5
147.04459	6.5
148.04810	0.3
150.03200	0.2
158.03743	0.2
159.04445	1.3
160.01534	0.1
161.02396	100.0
162.02725	4.9
163.03937	1.9
165.01901	0.3
172.05399	0.2
173.04617	0.2
173.06042	0.5
174.03201	0.4
175.03960	0.1
177.05557	0.5
178.02705	1.6
179.03464	59.2
180.03795	3.3
183.02983	0.4
185.06079	0.2
187.07649	0.4
191.05661	0.2
193.04962	0.2
197.06133	0.2
201.04018	0.2
201.05580	0.9
203.03510	0.9
203.07074	0.2
211.04041	0.2
211.07681	0.4
213.05525	0.2
213.09227	0.3
215.07124	3.8
216.07463	0.2
221.04575	0.2
223.07635	0.2
227.07175	0.2
231.06706	0.3
233.04593	0.9
239.07162	0.8
241.05156	0.2
243.05167	0.6
255.06766	0.2
257.08237	2.1
259.06174	1.0
273.07840	0.2
283.06369	0.2
301.07227	0.8
313.07187	0.5
329.17746	0.2
331.08206	0.3
331.19232	0.5
347.18726	0.2
348.19070	0.2
381.09946	0.6
391.10721	0.2
405.08878	0.4
405.14011	0.2
421.13199	0.7
439.12784	0.3
449.12558	1.5
450.12808	0.3
457.13794	1.7
458.13751	0.2
493.11456	2.1
493.24341	0.4
494.11777	0.4
511.12503	0.3
520.41571	0.1
553.13617	27.6
554.13989	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	553.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.6
59.01268	20.3
60.11935	0.3
61.89727	0.4
61.98708	1.3
67.01761	0.4
69.03353	0.7
71.01280	4.3
71.04907	2.3
71.07680	0.8
72.01601	0.4
72.99161	0.4
73.02840	1.3
75.00777	0.5
76.94314	0.3
77.03869	0.4
78.95753	0.4
81.03344	0.8
82.66621	0.3
83.01280	1.3
83.04936	0.7
85.02853	1.9
87.00777	4.0
89.02341	2.6
93.03370	3.9
95.01309	1.0
95.04932	1.3
96.99235	0.4
97.02850	2.5
99.00813	0.4
101.02354	2.3
103.28551	0.4
109.02834	1.6
109.80577	0.3
111.00779	1.5
111.04422	2.8
113.02364	2.5
115.00326	0.5
115.05427	0.7
117.03382	34.5
118.03716	1.4
119.03487	1.7
119.04945	53.3
120.05286	3.1
121.02877	3.1
123.04445	1.0
123.08057	1.8
124.08462	0.7
125.02310	0.4
127.07582	0.6
129.01860	4.6
131.03459	0.6
133.02895	1.2
133.06500	0.7
133.11557	0.4
135.00809	0.6
135.04469	1.2
137.02383	1.4
139.03914	1.0
143.03770	0.6
143.04973	11.1
144.05295	0.8
145.02893	100.0
146.03227	5.0
147.04482	0.8
155.03625	0.3
157.06587	0.6
161.02368	1.3
161.04666	0.6
161.06004	4.0
162.03186	0.4
163.03963	48.0
164.04305	2.4
165.01881	0.7
169.06622	0.6
171.08066	0.4
173.04495	0.6
175.04045	0.5
179.03529	0.6
181.06505	0.4
182.07294	0.4
183.02950	3.4
185.06044	1.0
187.03949	5.1
188.04379	0.5
189.05702	0.4
189.09195	0.7
190.09628	0.4
191.05592	1.4
191.07103	0.9
197.06055	1.4
199.07634	1.0
201.04024	2.6
201.05551	0.5
203.07111	1.6
205.05042	1.6
205.08789	0.6
210.06699	0.5
211.07646	14.3
212.07993	1.1
213.05571	0.4
213.09224	0.9
213.14635	0.3
215.03702	0.3
215.07124	0.7
217.05112	1.3
219.05087	0.7
223.07787	0.4
225.05569	0.6
229.05070	0.4
231.06537	0.6
235.06155	0.8
239.07245	0.4
241.05070	1.1
241.08781	1.8
243.04990	0.5
255.06628	0.5
257.04660	0.5
257.08264	3.2
267.06793	0.5
275.05737	0.7
275.09302	0.4
281.03268	1.9
283.02469	0.4
285.04361	0.6
285.07767	2.2
301.07187	0.5
303.08868	0.8
303.19745	0.4
307.70242	0.3
313.18146	0.7
329.06741	4.4
329.17709	2.0
330.07297	0.6
330.17926	2.0
331.19037	3.8
341.05295	3.0
347.07809	3.8
347.18686	2.5
348.19104	3.3
349.19519	4.0
365.08862	8.9
366.09235	1.1
371.18826	0.4
372.19012	1.3
373.19672	0.7
381.09845	0.5
389.08844	0.9
391.21176	0.8
405.09885	0.7
407.09998	2.3
408.10669	0.4
421.13254	1.8
422.13324	0.5
426.45236	0.4
431.84247	0.4
449.12457	0.7
481.40182	0.4
493.11707	3.8
493.24426	2.7
494.11829	0.6
511.24905	0.4
553.13690	26.5
553.27228	0.8
554.13965	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	552.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	18.1
61.98705	0.7
65.30450	0.2
71.57809	0.4
78.95793	9.7
93.03338	0.4
96.95892	1.1
96.96860	0.3
116.59206	0.2
118.96156	0.2
122.50850	0.3
133.02870	0.3
152.99521	2.2
168.04243	2.0
173.04431	0.3
191.05585	1.0
218.57097	0.3
224.06920	3.1
242.07999	3.1
245.71439	0.2
253.21754	100.0
254.22095	9.5
277.21780	15.1
277.24893	0.5
278.22183	2.0
299.02048	0.3
478.29498	35.1
479.29770	5.1
502.29532	14.4
503.29910	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	553.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.0
59.01266	14.0
64.66510	0.2
67.01784	0.6
68.37443	0.2
68.99704	0.7
69.03347	1.0
71.01271	2.1
71.56902	0.4
72.99217	0.4
73.02834	0.8
78.95792	0.7
81.03355	1.1
83.01275	1.4
83.04897	0.4
85.02849	2.4
86.21102	0.2
87.00776	7.4
88.51331	0.3
88.55810	0.2
88.98695	0.2
89.02341	0.8
89.03858	0.3
93.03355	3.6
95.01311	0.4
95.04915	0.6
96.95911	3.8
96.96873	0.5
97.02834	1.7
99.00786	0.6
99.04425	0.6
101.02377	1.2
105.48992	0.2
108.02109	0.3
109.02882	1.2
111.00794	1.9
111.04439	2.5
113.02374	1.1
115.05437	1.7
117.03380	33.0
118.03683	1.8
119.04945	55.0
120.05281	2.7
121.02876	3.1
123.04441	0.6
129.01866	6.3
133.02885	1.4
133.06500	1.0
134.03648	0.6
135.04474	1.8
137.02397	1.4
139.03941	0.9
141.01826	0.3
143.04967	29.8
144.05298	1.7
145.02890	100.0
146.03226	5.7
147.04424	0.7
151.03976	0.4
155.03508	0.3
156.05750	0.2
159.04437	0.7
161.02405	3.0
161.04547	0.9
161.06029	4.4
162.03130	0.8
162.06384	0.6
163.03960	49.2
164.04305	2.6
165.01888	0.7
169.06575	0.4
169.50018	0.2
173.04529	0.9
173.05945	0.5
177.01988	0.3
179.03459	1.0
179.07108	0.4
181.06528	0.4
183.02974	3.5
185.06110	0.7
187.03978	10.2
187.07634	0.4
188.04362	0.7
191.05594	2.3
197.06052	1.0
199.07602	0.5
201.04018	5.3
201.09189	0.3
202.04472	0.3
203.07158	0.8
205.05077	1.9
211.07675	0.4
213.09201	0.4
215.03465	0.4
215.07135	0.5
217.05063	0.9
219.05078	3.0
223.05956	0.3
225.05620	0.5
229.05348	0.3
229.08351	0.3
231.06511	0.4
235.06003	0.7
239.07208	0.5
241.05115	0.7
241.08714	1.8
243.05110	0.8
257.04565	0.4
257.08261	2.0
259.09586	0.3
263.07144	0.3
267.06699	0.4
271.02594	0.5
275.05765	0.7
275.09235	0.3
277.07285	0.9
279.06766	2.1
285.07837	2.0
291.06662	1.3
292.07150	0.3
303.08829	0.6
306.09018	1.1
307.06216	3.7
307.09525	0.3
308.06476	0.4
322.08676	1.8
323.09103	0.3
329.06686	3.5
329.17664	0.3
331.19193	2.5
337.10919	7.9
338.11130	1.0
347.07816	3.9
347.18805	0.3
348.08212	0.4
349.20313	0.5
365.08844	24.2
366.09152	2.6
377.13638	0.4
381.09827	0.4
389.08884	1.8
401.96451	0.3
405.09583	0.5
407.09891	2.0
421.12979	2.2
422.13522	0.3
433.07895	0.5
433.84967	0.3
449.12726	0.6
450.13031	0.3
493.11600	3.1
493.24512	0.4
494.11682	0.6
509.14621	0.4
511.25165	0.2
553.13678	24.7
553.26306	2.4
554.13855	4.9
554.27289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35103	0.3
59.01256	1.6
61.98704	1.0
62.62998	0.4
69.25354	0.3
71.28542	0.4
71.28869	0.5
78.95375	0.6
78.95798	7.8
83.04939	0.4
96.95958	0.4
96.96861	0.4
132.75964	0.3
152.99544	1.7
168.04253	2.0
224.06921	0.9
233.22597	0.6
242.07970	3.3
272.38568	0.3
274.22855	0.4
275.20218	0.4
277.21783	100.0
278.19055	0.5
278.22125	10.0
502.29538	43.3
503.29871	5.7
553.31622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50008	0.6
59.01270	3.4
61.98727	1.0
69.63699	4.3
78.95799	29.1
80.96426	0.6
96.95947	3.5
98.19746	0.8
105.62473	0.6
109.85708	0.6
113.02404	0.6
152.99538	5.1
168.04280	4.3
224.06943	12.3
242.08028	2.2
250.15257	0.7
253.21671	1.1
277.21793	100.0
278.22165	10.5
331.19312	0.7
502.29541	94.5
503.29910	14.4
525.26123	0.8
540.00226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65293	10.1
59.01258	20.1
69.41582	100.0
74.02039	9.8
78.95798	23.3
81.84845	8.6
84.59177	9.8
96.48362	9.1
99.04400	10.5
152.99562	17.3
210.39577	13.2
279.23367	44.1
551.30127	28.0
567.67853	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	551.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00994	1.0
59.01268	13.2
63.82141	0.5
67.01805	0.5
71.01270	3.2
73.02831	0.9
79.95625	1.5
80.96421	3.0
85.02827	0.7
87.00754	0.9
89.02333	2.0
93.03363	3.1
94.97973	0.8
97.02848	0.5
101.02359	3.2
111.04454	0.7
113.02339	1.2
119.03428	1.3
134.03682	1.5
161.04489	1.5
173.04507	1.5
191.05446	0.9
207.40375	0.6
229.67548	0.8
235.08307	2.9
238.55742	0.5
253.09319	13.2
254.09566	0.7
255.23337	100.0
256.23700	10.6
273.58463	0.6
425.71228	0.6
463.72040	1.9
464.21899	1.1
491.32709	0.7
550.74939	1.9
551.37482	1.6
552.38373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17751	0.4
55.01748	0.5
57.03331	1.6
59.01266	52.2
60.01574	0.8
69.03326	0.6
69.60011	2.5
69.60421	1.0
71.01260	1.3
71.04870	1.1
78.95796	20.4
83.04913	4.0
85.02827	2.3
87.00765	0.5
89.02316	0.5
93.03352	1.0
93.73257	0.5
95.04910	1.7
96.96865	15.8
97.06481	0.5
99.00816	0.7
99.04401	3.7
99.08067	2.0
100.01673	0.5
101.02343	1.0
101.06004	4.2
109.02844	0.7
109.06505	5.3
113.02400	0.6
113.06010	0.6
121.02822	1.1
121.06450	0.7
123.13216	0.4
129.09146	0.6
133.02913	0.7
135.04442	0.7
137.02324	0.6
137.09663	3.8
139.07588	1.9
152.01085	1.0
155.10721	1.5
161.02458	2.1
173.04593	0.9
179.03596	0.9
182.48854	0.4
182.66449	0.5
186.67761	0.5
191.05606	2.3
233.09515	11.9
234.09792	0.9
239.99567	0.5
289.14371	0.6
299.16000	0.8
299.18869	1.2
317.19757	100.0
318.20114	9.6
331.19324	0.5
507.28345	3.4
551.30426	1.6
552.31018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
61.98723	1.8
67.23349	0.9
71.01278	8.9
71.04906	17.5
71.64301	0.9
72.99198	1.5
73.02834	6.3
75.00771	1.8
78.52040	0.9
78.95798	1.2
83.01282	2.1
85.02840	6.4
87.00770	1.8
89.02355	2.8
97.02859	2.0
97.06504	2.1
99.00828	1.2
101.02351	9.4
106.08318	0.9
108.02072	2.2
109.02882	3.6
111.04405	1.3
113.02341	6.4
121.02876	1.3
123.08079	18.0
124.01558	1.7
125.02332	1.2
127.07571	2.1
133.02829	1.4
133.10170	1.1
135.04453	2.7
143.03468	1.4
145.02917	1.1
149.04477	1.2
152.99516	1.0
161.02406	3.2
161.04510	4.3
163.03979	1.4
175.03970	1.7
175.07732	1.0
177.01888	1.9
177.09271	1.2
189.09174	14.1
191.05591	1.5
191.07103	9.4
191.55104	0.9
201.01970	1.0
201.12881	1.2
205.08699	9.4
205.51222	1.1
217.15984	4.5
219.13893	3.0
231.13930	2.4
235.07568	1.6
237.09398	1.2
245.11877	5.1
257.19220	1.1
261.05643	1.4
261.15015	10.8
263.07156	2.7
263.12872	5.9
275.12866	1.7
285.18640	7.2
287.12695	1.1
303.19672	8.2
327.19604	1.9
329.17645	79.5
330.18027	9.4
347.18707	98.7
348.19138	10.0
371.18692	7.3
372.19131	1.1
389.19830	5.3
491.22934	2.8
551.11804	2.7
551.25031	7.6
552.25336	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34897	0.8
57.03333	0.9
59.01268	20.1
61.98706	1.0
69.03341	1.1
69.26542	4.9
69.26965	4.7
71.01265	11.3
71.04910	3.1
72.99226	0.8
73.02830	4.7
75.00763	3.8
81.03340	1.7
83.04917	1.5
85.02843	5.5
87.00787	1.0
89.02335	3.3
93.03365	3.4
95.01295	4.5
95.04948	1.4
97.02858	2.9
97.06477	1.8
98.20573	1.9
99.00735	0.9
101.02365	7.7
103.00305	1.2
103.93432	0.8
104.42453	0.8
108.02074	2.8
109.02861	2.4
111.04442	1.1
113.02348	4.3
116.92732	1.9
119.03397	0.8
119.04925	3.3
121.06500	3.4
123.08084	5.7
125.02357	1.2
133.02896	1.9
134.03662	2.8
135.04457	2.0
135.08095	1.5
137.02388	1.0
137.06062	0.9
145.02997	1.2
147.04469	1.1
147.08130	1.0
149.04419	0.9
149.06050	1.9
149.09604	1.3
152.01086	1.5
155.03447	1.3
161.04485	1.3
161.09663	2.0
163.04002	1.9
163.11221	1.5
173.04498	2.0
175.03973	1.4
175.15140	0.9
178.02664	1.6
179.03461	1.2
187.07518	1.6
189.09235	1.2
189.12779	1.8
191.05602	6.2
193.05113	4.1
201.02008	1.6
201.09149	1.1
201.12868	2.9
205.08728	1.4
213.93848	1.0
215.14383	2.7
216.88309	0.9
217.15964	31.0
218.16277	2.1
235.07721	2.2
237.09303	1.0
259.13477	8.2
259.20660	4.2
261.05469	1.3
261.14899	2.3
263.07211	1.7
283.17569	0.8
283.20703	4.0
285.18613	2.5
290.51071	1.0
293.11688	1.0
299.20181	1.6
303.19730	24.1
304.19983	2.4
305.07709	1.8
327.19702	9.7
328.19992	1.6
329.17606	15.4
330.17993	1.8
347.18710	100.0
348.19083	12.0
357.20804	1.0
361.20276	11.6
362.20804	2.0
371.18710	44.2
372.18860	5.8
389.19791	13.0
401.19687	2.7
413.19876	2.0
419.20740	1.8
551.12213	1.3
551.23645	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2512
Annotation	Tricalysioside F
Peak:m/z	Relative Intensity
55.01750	0.7
57.03335	1.1
59.01268	56.6
60.01603	0.8
61.98712	0.8
66.93970	0.5
69.03345	0.9
69.30045	6.7
71.01276	7.1
71.04910	15.3
73.02837	5.0
75.00790	0.9
81.03354	0.7
83.01285	1.5
83.04910	2.4
85.02851	4.3
87.00789	1.1
89.02333	1.1
93.03383	1.3
95.01294	0.9
95.04905	1.2
97.02852	4.2
97.06503	6.6
99.00784	0.9
101.02349	7.7
107.04958	1.3
108.02044	2.8
109.02866	3.0
109.06499	1.0
111.04459	1.4
113.02359	4.4
117.03360	0.7
119.04951	1.4
121.06521	1.3
123.04451	1.9
123.08081	16.4
124.08443	0.8
125.02429	1.0
125.09652	0.6
127.07574	1.3
133.10179	1.2
135.04419	1.4
147.08199	0.9
149.02391	0.6
149.09637	1.1
152.01147	1.2
159.08142	0.7
161.04510	3.1
161.09671	1.9
163.03996	1.8
163.11284	0.8
175.04036	0.6
175.07639	1.4
175.11177	1.0
177.01889	1.4
177.09261	0.9
189.09201	9.4
189.12869	1.9
191.05579	1.8
191.07144	5.3
193.05104	1.3
201.12831	1.6
205.08711	6.5
206.09294	0.7
215.14473	1.0
217.15990	15.1
218.16289	1.1
219.05038	0.7
219.13972	2.4
221.08223	1.1
231.13956	2.0
235.07617	1.0
243.13977	0.9
245.11832	3.7
259.20718	1.2
261.15021	37.1
262.15421	3.1
263.07178	1.2
263.12970	3.4
263.16547	0.7
275.12921	1.2
285.18671	7.5
286.19046	1.0
287.13013	1.0
303.19681	7.3
327.19662	1.6
329.17648	64.7
330.17960	7.1
343.19266	1.2
347.18719	100.0
348.19064	12.3
361.20383	0.9
371.18689	7.4
372.18811	1.1
389.19824	6.0
401.19751	0.9
491.23172	1.4
507.28146	1.0
551.12012	0.8
551.25171	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05831	1.9
57.03333	3.6
58.00472	2.4
59.01264	94.2
61.40935	1.6
68.99714	2.0
69.03341	3.7
71.01270	47.8
71.58581	2.7
72.99209	3.6
73.02835	34.2
75.00761	4.8
83.01289	15.2
83.04908	3.3
85.02835	18.6
87.00774	4.3
87.04424	6.5
89.02336	9.9
93.03381	4.4
95.01273	3.2
97.02856	5.5
99.00755	2.5
101.02348	49.2
109.02867	2.8
113.01621	3.3
113.02357	32.4
113.08057	2.0
119.03409	4.3
119.04943	4.4
121.06486	6.8
123.04460	2.2
123.07973	2.5
131.03418	5.8
133.02850	2.6
134.03700	2.6
137.02354	2.7
143.03412	5.8
145.02888	4.7
147.04446	5.3
149.04459	6.3
149.05966	1.9
154.13448	1.9
155.03418	1.9
161.04503	10.2
163.03909	3.6
175.03954	3.1
175.07544	3.1
177.15414	1.7
189.09236	2.3
189.12834	1.9
191.05559	4.1
193.05013	3.0
197.13408	2.6
205.08714	2.3
205.12315	3.0
241.12369	7.9
243.11601	2.6
243.13933	30.0
257.19150	2.3
267.17593	5.4
281.19260	2.3
285.18628	27.2
286.18924	2.5
301.18274	2.7
303.19647	4.9
309.18521	4.0
311.16589	9.0
312.16940	3.1
327.19705	7.5
329.17636	84.6
329.21579	4.2
330.18091	9.3
343.19193	17.9
344.19525	3.7
347.18707	100.0
348.19077	15.6
353.17749	8.9
361.20209	2.4
371.18658	24.0
372.18805	4.1
383.18713	4.0
389.19638	4.1
389.81540	1.7
413.19604	2.1
551.19293	5.8
551.27209	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	551.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03084	1.3
57.03323	1.5
59.01263	18.6
61.51566	1.5
61.98733	1.5
64.38796	1.4
69.03332	2.8
71.01272	7.3
71.04911	33.2
73.02852	8.2
75.00768	5.3
83.01309	1.5
85.02826	2.1
89.02325	2.4
97.02860	19.0
97.53632	1.4
99.00731	1.8
101.02351	10.1
104.15784	1.5
109.02864	5.0
113.02374	2.6
119.04927	2.0
121.06458	2.3
123.08083	40.2
124.08405	2.6
127.07555	6.8
133.10114	2.6
161.09663	1.7
163.03989	2.9
175.07622	1.9
177.01848	1.6
189.09200	20.2
191.05606	2.9
191.07133	10.8
201.12846	2.0
205.08665	12.8
217.16008	2.5
219.13956	5.6
221.08321	1.8
231.13976	3.8
245.11856	3.4
259.13388	2.7
261.15118	2.3
263.12888	4.6
272.68088	1.5
275.12891	2.8
277.14343	2.4
285.18719	2.0
287.12988	6.9
287.16418	1.9
289.14441	2.6
303.19711	7.0
327.19672	4.9
329.17627	61.6
330.18024	6.6
343.19220	2.3
347.18713	100.0
348.18893	10.1
361.20377	7.5
361.24271	1.6
371.18704	27.6
371.33698	1.8
372.18951	4.4
389.19815	11.5
390.20096	2.0
437.44589	1.5
551.25085	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	551.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59198	0.8
55.01767	1.0
57.03319	0.9
58.00491	1.1
59.01267	42.4
60.01580	1.6
60.99189	1.7
61.98701	1.7
62.30269	1.1
69.03345	2.1
69.27783	7.3
69.28193	2.1
71.01273	19.6
72.99183	1.6
73.02442	1.4
73.02840	15.5
75.00761	3.3
81.03361	1.1
83.01276	5.5
83.04910	1.0
85.02853	8.5
87.00774	5.6
87.04404	5.6
89.02346	4.3
93.03358	3.0
95.01281	1.6
96.95924	1.0
97.02839	4.3
99.00809	0.9
101.02348	18.7
108.02099	1.7
109.02853	3.2
111.04398	1.7
113.02381	6.4
119.03407	2.1
119.04937	2.3
120.99551	1.6
121.06502	3.1
123.08099	1.7
125.02356	1.8
131.03419	2.7
133.02866	1.7
134.03668	13.2
137.02348	1.9
143.03421	1.7
145.02875	2.0
147.04451	1.8
149.04631	1.2
149.06009	4.9
155.03427	1.3
159.04434	0.8
161.02370	1.0
161.04504	2.8
163.11253	1.4
173.04495	1.2
173.06033	1.1
175.04041	2.5
178.02664	3.8
179.03412	1.1
187.07602	2.2
189.09129	1.5
189.12753	1.8
191.05551	3.7
193.05028	21.4
195.11674	1.2
197.13361	5.6
201.01978	1.5
201.05415	1.3
203.05579	1.2
205.08685	2.9
205.12221	1.1
213.12842	2.1
214.06265	2.3
215.07083	2.0
215.14502	1.4
229.08635	2.8
241.12358	10.1
242.12672	1.2
243.13916	28.7
244.14224	2.8
257.19077	1.5
267.17648	2.8
274.08533	1.6
281.19003	1.6
283.17120	1.7
285.18649	20.4
286.19098	1.3
299.20270	1.0
301.17950	1.3
303.19778	2.2
309.18777	1.0
310.66144	0.9
311.13016	1.7
311.16525	12.7
312.16904	1.1
327.19827	2.1
329.17639	71.3
330.17987	7.9
343.19220	10.6
344.19571	1.8
347.18695	100.0
348.19092	12.9
353.17654	3.4
361.20282	1.4
371.15030	1.6
371.18799	11.7
372.18973	1.4
383.18552	1.2
387.31824	1.0
389.19861	6.0
490.34039	1.1
551.19006	4.8
570.75592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41319	0.4
52.42514	0.5
55.01771	0.5
57.03335	1.2
59.01265	32.1
59.39120	0.4
60.01583	0.9
61.98705	1.9
64.34444	0.4
67.01754	0.5
69.03343	1.2
71.01270	8.2
71.04903	2.0
71.57719	0.9
72.99190	0.9
73.02830	2.2
75.00761	2.9
78.95785	0.8
79.05428	0.5
81.03365	0.8
83.01273	2.2
83.04888	1.2
85.02850	5.1
87.00765	4.7
89.02354	2.9
93.03345	1.7
95.00719	0.8
95.01291	10.6
95.04935	0.8
97.02838	1.7
97.06490	2.6
99.00798	1.5
101.02340	3.9
107.04902	0.5
108.02080	3.8
109.02849	2.1
111.00782	1.1
111.04417	1.2
113.02364	4.8
119.03440	0.5
119.04942	0.9
121.02825	0.8
121.06523	0.9
123.04478	0.7
123.08086	3.1
125.02335	1.1
127.07499	0.6
129.01926	0.6
131.03471	1.2
133.02840	1.1
134.03665	9.3
135.04407	2.0
137.02321	1.5
137.05977	0.8
143.03383	0.6
143.08519	0.5
145.02792	0.5
147.04390	0.9
149.04851	0.5
149.06024	3.2
152.01080	0.5
155.03424	0.5
159.04506	0.6
160.01599	0.8
161.02414	0.8
161.04485	1.0
161.09792	0.6
162.17171	0.5
163.07547	0.7
165.12762	1.9
173.04546	1.2
175.03944	1.1
175.07582	0.7
175.11223	0.5
177.01895	1.6
177.09178	1.5
178.02692	5.4
178.09833	0.9
179.03413	1.0
181.05037	1.6
189.09128	0.8
191.05586	2.9
193.05032	17.5
194.05301	0.7
195.06616	2.7
201.02098	0.6
201.03981	1.2
201.12866	0.6
205.08719	0.9
215.14532	0.6
217.15913	2.8
219.05038	2.3
221.08116	0.6
229.08540	0.6
235.07739	1.1
247.06145	1.9
257.19257	0.6
259.13205	0.6
259.20728	3.9
261.15021	3.2
263.07178	8.9
264.07382	1.1
275.20200	0.9
283.20795	0.6
285.18680	1.6
287.03882	0.6
289.05139	0.9
299.20291	1.0
303.19653	3.5
304.07092	0.7
323.18649	1.0
327.16312	0.7
327.19800	4.6
328.20151	0.5
329.17645	9.1
330.18002	1.3
331.19339	2.4
337.63962	0.5
347.18710	100.0
348.19055	11.8
349.20386	1.6
357.20917	1.0
359.18872	0.5
361.20248	9.5
362.20474	1.5
371.11575	6.3
371.18729	12.3
372.11771	0.9
372.19141	1.2
389.19824	5.5
390.20093	1.0
401.19785	2.2
419.20850	1.4
439.32486	1.5
455.22977	14.5
455.73117	7.2
456.23251	1.5
470.24380	0.6
471.34784	1.6
490.35016	1.1
491.35187	1.7
499.34402	0.8
507.28683	1.1
509.35815	0.6
551.11487	0.8
551.18018	1.1
551.24182	3.3
552.25110	0.6
553.35980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54168	0.4
57.80353	0.4
58.00471	0.4
59.01265	50.0
60.01605	1.0
61.98713	0.7
65.03829	0.5
68.99727	0.4
69.03349	0.9
71.01277	6.8
71.05676	0.5
71.06019	0.8
72.63760	0.4
72.99209	0.8
73.02826	0.6
74.30296	0.4
75.00753	2.8
78.95802	0.8
81.03365	1.2
85.02840	7.5
87.00786	0.6
88.57047	0.5
88.98717	1.0
89.02338	5.4
93.03362	0.7
95.01295	1.7
95.04982	0.5
97.02850	47.9
98.03176	1.4
101.02343	4.6
105.06992	0.8
107.04945	1.2
109.02864	5.2
113.02360	9.4
119.03403	2.9
123.04455	1.5
133.02899	0.7
135.04527	0.7
136.07527	0.4
143.03368	0.5
147.04419	0.4
151.03946	1.6
161.02391	1.1
161.04466	1.9
165.05521	19.8
166.05867	0.8
175.03992	0.4
179.05592	1.2
191.05579	1.8
195.06584	0.4
199.14940	1.6
201.12808	3.0
219.11975	0.6
219.13934	6.7
230.57648	0.5
243.13962	1.5
249.16562	0.6
267.17505	1.2
285.18652	1.7
309.18634	1.2
311.16595	66.2
312.16949	7.7
325.17987	0.7
329.17639	100.0
330.17963	11.1
335.16708	1.6
343.18973	0.5
347.18716	1.2
353.08340	0.4
353.17648	7.6
354.17859	0.9
371.18744	5.9
372.18924	0.8
383.18634	0.5
401.19705	0.8
551.30872	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41319	0.4
52.42514	0.5
55.01771	0.5
57.03335	1.2
59.01265	32.1
59.39120	0.4
60.01583	0.9
61.98705	1.9
64.34444	0.4
67.01754	0.5
69.03343	1.2
71.01270	8.2
71.04903	2.0
71.57719	0.9
72.99190	0.9
73.02830	2.2
75.00761	2.9
78.95785	0.8
79.05428	0.5
81.03365	0.8
83.01273	2.2
83.04888	1.2
85.02850	5.1
87.00765	4.7
89.02354	2.9
93.03345	1.7
95.00719	0.8
95.01291	10.6
95.04935	0.8
97.02838	1.7
97.06490	2.6
99.00798	1.5
101.02340	3.9
107.04902	0.5
108.02080	3.8
109.02849	2.1
111.00782	1.1
111.04417	1.2
113.02364	4.8
119.03440	0.5
119.04942	0.9
121.02825	0.8
121.06523	0.9
123.04478	0.7
123.08086	3.1
125.02335	1.1
127.07499	0.6
129.01926	0.6
131.03471	1.2
133.02840	1.1
134.03665	9.3
135.04407	2.0
137.02321	1.5
137.05977	0.8
143.03383	0.6
143.08519	0.5
145.02792	0.5
147.04390	0.9
149.04851	0.5
149.06024	3.2
152.01080	0.5
155.03424	0.5
159.04506	0.6
160.01599	0.8
161.02414	0.8
161.04485	1.0
161.09792	0.6
162.17171	0.5
163.07547	0.7
165.12762	1.9
173.04546	1.2
175.03944	1.1
175.07582	0.7
175.11223	0.5
177.01895	1.6
177.09178	1.5
178.02692	5.4
178.09833	0.9
179.03413	1.0
181.05037	1.6
189.09128	0.8
191.05586	2.9
193.05032	17.5
194.05301	0.7
195.06616	2.7
201.02098	0.6
201.03981	1.2
201.12866	0.6
205.08719	0.9
215.14532	0.6
217.15913	2.8
219.05038	2.3
221.08116	0.6
229.08540	0.6
235.07739	1.1
247.06145	1.9
257.19257	0.6
259.13205	0.6
259.20728	3.9
261.15021	3.2
263.07178	8.9
264.07382	1.1
275.20200	0.9
283.20795	0.6
285.18680	1.6
287.03882	0.6
289.05139	0.9
299.20291	1.0
303.19653	3.5
304.07092	0.7
323.18649	1.0
327.16312	0.7
327.19800	4.6
328.20151	0.5
329.17645	9.1
330.18002	1.3
331.19339	2.4
337.63962	0.5
347.18710	100.0
348.19055	11.8
349.20386	1.6
357.20917	1.0
359.18872	0.5
361.20248	9.5
362.20474	1.5
371.11575	6.3
371.18729	12.3
372.11771	0.9
372.19141	1.2
389.19824	5.5
390.20093	1.0
401.19785	2.2
419.20850	1.4
439.32486	1.5
455.22977	14.5
455.73117	7.2
456.23251	1.5
470.24380	0.6
471.34784	1.6
490.35016	1.1
491.35187	1.7
499.34402	0.8
507.28683	1.1
509.35815	0.6
551.11487	0.8
551.18018	1.1
551.24182	3.3
552.25110	0.6
553.35980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.9
61.98717	0.7
63.69028	0.4
69.03344	0.6
71.01275	1.9
72.99203	0.7
73.02853	0.7
75.00790	0.5
77.62338	0.3
81.03303	0.6
83.01288	0.7
83.73329	0.3
85.02851	3.2
87.00792	0.8
89.02368	0.7
93.03352	1.8
95.01291	1.0
96.95901	2.1
99.00808	0.6
101.02381	0.9
107.01269	0.6
108.02081	50.9
109.02922	6.8
111.00780	0.4
111.04439	0.5
113.02364	1.5
121.02875	24.2
122.03236	1.0
123.00816	1.1
125.02383	0.9
134.03708	0.6
135.04434	4.5
137.02431	1.7
139.00340	0.6
145.02870	0.6
146.03661	0.4
149.06009	0.5
151.00305	1.3
151.04022	0.5
152.01094	100.0
153.01868	5.3
153.05548	0.5
161.02400	1.5
161.04559	0.5
163.03934	2.1
167.03502	0.4
173.04559	0.9
176.04759	0.5
177.01923	1.3
178.99817	0.5
179.03467	4.2
179.07016	0.8
180.00121	0.4
181.01425	0.5
182.02209	0.7
183.03017	0.4
187.03969	0.7
191.05585	8.4
194.05869	1.2
195.06610	1.1
197.04547	1.2
207.03040	0.7
209.08209	1.3
215.24988	0.4
227.03766	0.4
243.02937	0.7
244.03537	0.5
245.03586	0.6
255.02983	2.4
256.03311	1.6
257.03610	1.1
271.02533	3.8
272.02853	2.4
273.03098	4.2
297.06244	0.7
300.02808	6.0
301.03210	6.6
302.03497	8.2
303.04034	2.6
304.04523	0.4
315.07367	1.6
341.08887	1.0
343.61365	0.5
350.41254	0.4
353.08850	5.5
383.09879	0.6
411.09219	0.9
429.10477	15.4
430.10779	1.7
465.09131	0.6
506.10153	0.8
507.10580	11.3
508.10626	1.0
551.14105	67.3
552.14508	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	551.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00998	0.3
59.01267	2.1
60.18826	0.4
61.98709	0.9
65.03867	0.3
67.01777	0.8
69.03342	0.5
69.50497	1.9
69.50907	0.5
69.63145	0.3
71.01276	2.1
73.02824	0.8
74.69167	0.3
75.00757	0.3
81.03329	0.6
83.04932	0.4
85.02344	0.7
85.02847	10.1
87.00774	2.7
89.02346	0.9
89.59029	0.3
93.03364	9.0
94.03719	0.4
95.42361	0.3
96.95927	0.8
97.02858	0.4
99.00787	0.6
99.04432	0.4
101.02345	1.2
108.02082	0.5
109.02845	1.9
111.00816	0.5
111.04423	1.4
113.02363	0.9
115.00253	0.3
119.04951	1.0
121.02853	0.6
125.02407	0.7
125.04066	0.3
127.03938	3.0
133.98027	0.3
134.03717	0.6
135.04434	0.7
137.02379	6.9
138.02855	0.3
145.02895	0.4
145.06581	0.5
147.04469	0.5
150.03207	0.4
151.03946	0.6
155.03413	0.3
163.03915	0.5
171.02971	0.5
173.04509	2.3
175.04068	0.5
178.02719	0.3
191.05592	100.0
192.05937	4.0
193.05042	1.1
199.07626	0.4
202.02890	0.3
243.06723	2.3
253.08740	0.5
255.10335	0.5
271.09897	0.7
279.06653	0.6
297.07916	0.4
314.36523	0.3
337.09433	0.7
343.08389	0.6
353.08975	0.6
359.07968	1.1
367.10120	0.4
377.08896	0.6
413.10889	1.2
551.14673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05286	0.3
55.01770	0.6
57.03319	0.4
58.80202	0.3
59.01271	1.7
66.15462	0.3
69.03342	0.6
69.43961	0.3
71.01281	2.5
72.99199	1.3
73.02844	0.5
73.66393	0.3
81.03373	0.7
83.01286	0.5
85.02841	3.4
87.00766	0.6
89.65138	0.3
93.03362	1.0
95.01305	0.8
95.84393	0.3
97.02865	0.8
98.19723	0.5
99.00777	0.6
101.02351	1.1
107.04954	0.5
108.02077	48.5
109.02895	10.1
109.08239	0.3
110.03239	0.4
111.04432	0.5
113.02363	1.6
119.04906	0.3
121.02870	23.6
122.03238	0.9
123.00829	0.5
123.04431	0.6
125.02362	0.6
131.58760	0.3
133.02905	1.9
134.03656	0.8
135.04440	6.5
135.05449	0.5
136.77411	0.3
137.02371	1.9
141.01848	0.3
145.02899	0.4
146.27480	0.3
147.04535	0.4
149.02341	0.7
151.00333	0.3
151.03929	0.9
152.01091	100.0
153.01633	4.6
154.57358	0.3
161.02380	2.4
161.04485	0.4
163.03961	4.4
165.05563	0.3
167.48662	0.3
173.04495	1.1
175.03951	0.5
176.01253	0.3
177.01859	1.8
179.03445	7.8
180.03792	0.5
191.05577	15.0
192.05801	0.6
207.02982	1.0
227.12943	0.4
229.64684	0.3
297.06015	0.6
315.07211	1.2
353.08826	10.5
354.09201	1.3
429.10446	28.7
430.10800	3.0
491.21774	1.7
515.12238	0.4
551.14154	78.9
552.14447	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	551.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75782	0.6
61.60689	0.7
63.59344	0.6
64.26025	0.7
69.27799	8.1
71.01291	1.1
78.12936	0.7
78.68035	0.6
78.95798	1.6
85.02852	2.4
96.96858	0.9
98.12565	0.6
98.19769	1.4
99.00800	0.8
108.02086	59.8
109.02908	11.8
111.17727	0.8
113.02351	1.1
119.04942	0.8
121.02879	24.6
121.18424	0.8
122.03191	0.7
123.00835	1.0
130.55745	0.7
135.04469	1.9
137.02473	0.8
152.01102	100.0
153.01575	5.2
155.15509	0.7
163.03944	4.2
163.22659	0.7
176.84071	0.9
179.03590	0.6
207.02937	0.8
218.11032	0.7
218.70772	0.7
226.66568	0.7
230.13535	0.7
343.09421	0.7
429.10474	25.8
430.10831	3.0
551.14233	67.7
552.14551	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	551.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37338	0.6
59.01268	9.3
61.07256	0.7
65.02142	0.8
69.03346	0.9
69.55660	1.5
69.56068	4.4
71.01265	4.4
72.99194	1.4
73.02833	1.6
78.95786	0.9
81.03367	0.9
83.01274	1.1
83.78770	0.7
85.02843	7.2
87.00785	2.6
89.02351	2.3
93.03362	4.7
95.01310	0.9
96.95934	2.0
97.02861	1.2
99.00769	1.0
99.19435	0.8
101.02339	2.6
102.98496	1.5
108.02099	9.1
109.02870	3.6
111.04436	1.3
113.02352	2.9
113.05148	0.7
116.92719	1.5
118.04902	0.7
119.04974	0.9
121.02878	5.0
123.04400	2.2
125.02399	1.4
127.03951	1.2
133.02888	7.4
134.03653	2.7
135.04453	41.6
136.04802	2.1
137.02377	5.4
147.04402	1.0
149.02370	2.3
150.03177	0.7
151.03961	2.9
152.01091	22.5
153.01752	2.2
155.03409	1.5
161.02400	14.0
161.04436	1.1
162.02719	1.1
163.94719	0.9
165.01891	0.7
167.03481	3.9
172.04013	1.7
173.04512	7.1
174.05678	0.9
175.03981	1.0
177.01909	6.5
179.03459	53.3
180.03841	2.3
191.05585	100.0
192.05913	4.4
193.06299	0.9
195.03008	1.0
217.66875	0.7
218.04482	0.9
225.11856	0.8
237.44662	0.7
306.07205	0.8
329.17654	2.0
335.07654	1.2
353.08841	96.8
354.09195	9.5
359.15204	1.0
389.10480	0.9
390.08539	0.9
429.10538	6.1
463.15024	0.9
491.21625	1.4
507.11349	1.9
515.12134	4.1
516.11743	1.0
551.13776	12.2
551.23462	1.5
552.14020	0.8
552.25214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77649	0.4
57.03343	1.2
59.01266	100.0
60.01600	1.2
61.98715	1.4
71.01278	7.2
71.58755	0.7
73.02839	2.8
75.00758	0.5
75.03313	0.4
78.95788	2.3
83.01282	1.9
85.02848	5.4
87.00785	0.8
88.98737	0.5
89.02335	0.9
90.51991	0.4
93.03341	0.5
95.01270	0.9
96.96870	0.6
97.02864	0.5
99.00816	1.2
99.04435	1.2
101.02353	5.2
109.27225	0.4
109.64634	0.5
113.02353	3.6
125.02386	0.7
132.02130	0.4
133.02827	0.8
134.03659	1.0
135.04272	0.5
143.03473	0.4
152.63916	0.4
152.99530	4.0
160.01607	2.1
161.02371	1.5
161.04535	1.9
173.04385	0.4
175.03964	2.2
177.01904	1.0
191.05588	2.5
193.05055	1.4
301.27609	0.9
356.60706	0.5
445.31821	17.4
446.32181	3.0
463.21848	0.7
463.33008	10.5
464.33334	1.5
505.34265	1.3
549.29730	1.5
550.23132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.1
62.69658	0.1
71.01260	0.5
71.58101	0.1
72.99182	0.1
73.02852	0.2
75.00761	0.3
78.95796	1.9
79.95631	2.0
83.01289	0.1
85.02858	0.5
87.00779	0.2
89.02351	0.2
93.03349	0.2
95.01285	0.1
96.95918	100.0
96.96796	3.5
97.95826	0.4
98.02398	0.4
99.00761	0.1
101.02359	0.3
111.00774	0.1
113.02347	0.4
125.02343	0.1
131.43158	0.1
133.02901	0.1
135.04451	0.2
135.56683	0.1
136.26476	0.1
137.02383	0.3
138.51854	0.1
147.04507	0.1
149.99483	0.1
151.03926	0.1
161.02446	0.2
161.04515	0.1
164.04774	0.1
168.00533	0.2
170.01064	0.1
173.04596	0.2
179.05632	0.1
191.05594	0.7
192.06010	0.1
271.02722	0.2
271.06143	0.1
300.02780	0.2
375.10483	0.1
381.32825	0.1
490.34131	0.5
549.22723	1.2
549.30298	0.2
550.22620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89570	0.4
55.01756	0.6
57.03340	0.8
59.01265	100.0
60.01598	1.8
60.95829	0.4
61.98719	22.2
69.58861	1.7
69.59281	1.7
71.01270	7.3
72.99212	0.5
73.02840	3.3
83.01279	2.3
85.02837	5.3
85.99998	0.6
87.00780	1.3
89.02338	1.1
90.47113	0.4
91.21503	0.5
93.03384	2.5
95.01293	1.0
96.95922	0.5
97.02870	0.6
98.53439	0.5
99.00795	0.7
101.02350	5.7
105.03364	0.7
113.02344	4.4
117.03367	0.6
121.02881	0.6
125.02386	0.6
131.03336	0.6
133.02910	2.5
134.03664	0.8
135.04477	1.5
143.03445	0.5
145.02971	0.6
147.00705	0.5
149.02403	0.9
160.01598	3.6
161.02402	6.4
161.04631	0.8
161.06061	2.0
162.02734	0.6
163.03928	0.5
165.01842	2.3
167.03384	0.7
167.70065	0.4
173.04602	0.7
173.06110	0.5
175.04030	2.9
177.01976	0.7
179.03488	1.6
185.88774	0.4
189.01958	1.7
191.05556	4.1
192.05969	0.5
197.34573	0.4
264.04300	0.5
265.05206	0.6
301.27542	0.8
337.03757	0.7
353.08838	0.7
445.31815	19.9
446.32108	3.2
463.00809	0.5
463.32962	10.3
464.32803	2.1
468.17233	0.6
505.20779	1.9
505.34064	0.9
506.34399	0.6
549.23486	2.4
550.23621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
57.03331	2.6
58.00473	1.0
59.01268	49.3
61.98697	3.5
67.01772	0.9
68.99700	1.0
69.03335	1.6
69.35063	3.1
69.35496	3.2
71.01270	18.1
72.99202	5.6
73.02836	7.3
74.22860	0.6
75.00768	13.7
78.95807	0.7
83.01285	2.4
85.02842	19.5
86.53519	0.7
87.00774	4.7
89.02341	4.4
93.03387	1.0
95.01285	5.7
98.20576	1.3
99.00780	8.8
101.02365	5.1
103.00283	1.5
111.00802	1.3
113.02362	19.5
115.00280	2.2
117.01856	2.3
117.03389	1.1
119.03395	0.7
129.01842	1.0
131.03448	0.8
132.02107	12.0
133.02916	3.5
134.03676	12.3
143.03462	0.6
145.02896	2.0
149.06020	2.1
155.20688	0.6
160.01611	53.4
161.02277	3.9
161.04504	0.8
173.04535	0.8
175.02623	2.0
175.03963	54.5
176.04329	3.6
179.03456	1.1
191.05598	2.6
193.05043	18.0
194.05374	1.1
202.02562	0.7
205.07132	1.2
217.05061	2.7
231.05112	1.5
239.80016	0.7
249.06172	9.8
267.07312	1.8
281.21301	5.4
297.20996	1.7
299.22333	56.6
300.22668	5.9
322.70541	0.7
429.21252	1.2
445.31720	2.7
446.31485	0.7
447.22528	3.4
463.32642	1.0
489.23080	1.5
489.34183	1.9
507.35211	1.0
531.28345	1.7
549.23596	17.1
549.29309	100.0
550.23468	4.5
550.30450	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	549.2931
Annotation	Hordatine A
Peak:m/z	Relative Intensity
51.22942	0.5
51.42568	0.4
55.01775	2.1
57.03329	3.1
57.85140	0.4
58.00484	2.1
59.01267	96.6
60.01590	1.2
60.52232	0.4
60.99193	1.5
62.07505	0.4
68.99689	0.5
69.03348	1.3
69.32674	0.4
71.01272	47.8
72.01606	0.7
72.99206	2.8
73.02837	10.2
75.00768	1.1
76.22172	0.4
78.95798	0.9
83.01285	7.7
85.02847	18.3
85.99999	1.0
87.00771	5.2
88.98705	8.1
89.02341	32.7
90.02712	0.7
93.03368	1.3
95.01281	2.8
96.96889	0.4
97.02859	2.4
99.00778	6.4
101.02348	25.1
102.02694	0.6
107.04946	1.1
111.00806	1.1
111.04417	0.5
112.01565	1.1
113.02364	17.2
114.02696	0.8
115.04001	0.5
117.89955	0.4
119.03423	2.7
119.04967	1.2
120.61663	0.4
121.02873	2.8
125.02385	4.9
131.03430	11.3
137.02380	0.6
138.99324	0.5
143.03468	2.5
149.04495	4.5
153.80066	0.4
155.03416	0.6
159.02963	1.6
161.04532	7.2
163.03928	0.9
166.02579	0.6
173.04495	0.8
176.57983	0.6
177.01924	0.9
179.03616	0.5
181.05031	0.6
185.04646	0.4
191.05594	6.3
192.05963	0.5
211.17001	0.6
213.18500	0.5
215.05791	0.5
233.06738	0.5
309.20856	2.3
312.20447	0.5
357.22849	4.8
358.23273	0.6
375.23953	8.4
387.23553	1.1
399.24228	0.6
417.15912	1.2
417.25070	5.1
419.22964	0.8
489.27209	0.8
507.28217	69.4
508.28497	10.8
549.29346	100.0
550.29688	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	549.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03334	0.5
59.01265	34.2
61.98707	1.0
68.99696	0.7
69.03350	0.8
71.00898	0.7
71.01270	9.6
71.38359	0.9
72.99181	1.2
73.02834	4.2
78.32930	0.3
83.01261	2.8
85.02850	4.7
85.99986	0.8
87.00764	1.7
89.02362	2.6
93.03439	0.4
95.01267	1.3
97.02848	1.0
99.00779	1.2
101.02348	8.7
109.02861	1.2
111.00803	0.7
111.64003	0.4
113.02361	4.4
115.51212	0.4
119.03362	1.0
121.02850	0.9
125.02319	0.8
137.02377	9.6
138.03168	4.2
143.03481	0.5
161.04547	1.2
191.05559	0.8
193.08688	2.3
215.07068	0.6
273.22281	0.7
299.20099	0.6
317.21249	5.0
318.21591	0.7
327.19687	3.2
328.19885	0.4
329.21292	0.5
345.20645	3.3
387.21765	1.1
429.22919	1.0
461.25555	0.7
479.26602	1.3
489.25162	1.9
489.34241	0.7
507.26096	10.2
508.26373	1.7
549.27197	100.0
550.27551	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	549.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.7
57.03312	0.6
59.01264	58.4
60.01588	1.0
61.98721	4.7
64.23778	0.5
69.03346	0.8
71.00896	0.8
71.01270	9.2
71.56231	0.9
72.99177	0.9
73.02840	3.4
78.95791	1.7
83.01276	1.8
85.02847	5.8
87.00772	3.4
88.98685	0.5
89.02341	3.6
93.03347	2.7
95.01256	0.6
96.95909	10.6
96.96846	0.7
99.00777	1.4
101.02356	5.8
105.03383	0.9
109.02859	0.9
111.04432	1.0
113.02364	4.3
117.03365	2.2
119.03432	1.7
119.04935	0.8
121.02872	1.0
123.04438	1.0
125.02339	1.5
125.06014	0.6
127.03924	0.6
131.03416	1.1
132.02090	22.3
133.01865	0.5
133.02895	12.2
134.03671	29.3
135.04486	7.5
136.04771	0.8
137.02364	1.7
139.03926	0.6
141.05498	0.7
143.03447	0.7
145.02876	0.9
146.03551	0.5
147.04398	1.0
147.14915	0.6
149.04500	0.5
149.04745	0.6
149.06009	5.7
158.03677	4.8
160.01604	97.2
161.00760	0.9
161.02390	18.5
161.04533	1.5
162.02718	1.6
163.11197	0.8
173.04497	2.1
173.06042	5.5
173.08173	0.6
175.03961	100.0
176.04303	6.5
177.01917	2.3
178.02629	1.2
179.03447	7.0
179.07048	1.1
180.03909	0.7
191.05583	17.6
191.07043	0.9
192.06012	0.8
193.05037	28.1
194.05357	1.3
201.01962	4.7
202.02693	6.1
207.10223	0.6
217.05055	15.1
218.05386	0.7
229.01266	0.7
233.06607	1.4
235.04063	0.6
235.06206	1.0
251.03564	0.7
265.05157	1.9
293.04584	1.1
294.01755	0.7
295.02460	0.9
319.02554	1.0
331.19278	5.7
332.19601	0.8
333.19791	0.6
337.03687	2.3
338.04312	0.9
349.20242	2.5
353.09000	3.2
373.20172	0.9
387.16757	7.0
388.17020	0.7
391.21432	0.6
429.21323	10.9
430.21768	1.1
447.22562	4.2
474.18985	1.0
489.22360	2.4
489.34393	1.9
490.22314	0.9
505.27188	0.6
507.22672	1.4
511.09021	2.3
534.21497	0.8
549.23608	94.8
550.24036	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	549.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.7
57.03312	0.6
59.01264	58.4
60.01588	1.0
61.98721	4.7
64.23778	0.5
69.03346	0.8
71.00896	0.8
71.01270	9.2
71.56231	0.9
72.99177	0.9
73.02840	3.4
78.95791	1.7
83.01276	1.8
85.02847	5.8
87.00772	3.4
88.98685	0.5
89.02341	3.6
93.03347	2.7
95.01256	0.6
96.95909	10.6
96.96846	0.7
99.00777	1.4
101.02356	5.8
105.03383	0.9
109.02859	0.9
111.04432	1.0
113.02364	4.3
117.03365	2.2
119.03432	1.7
119.04935	0.8
121.02872	1.0
123.04438	1.0
125.02339	1.5
125.06014	0.6
127.03924	0.6
131.03416	1.1
132.02090	22.3
133.01865	0.5
133.02895	12.2
134.03671	29.3
135.04486	7.5
136.04771	0.8
137.02364	1.7
139.03926	0.6
141.05498	0.7
143.03447	0.7
145.02876	0.9
146.03551	0.5
147.04398	1.0
147.14915	0.6
149.04500	0.5
149.04745	0.6
149.06009	5.7
158.03677	4.8
160.01604	97.2
161.00760	0.9
161.02390	18.5
161.04533	1.5
162.02718	1.6
163.11197	0.8
173.04497	2.1
173.06042	5.5
173.08173	0.6
175.03961	100.0
176.04303	6.5
177.01917	2.3
178.02629	1.2
179.03447	7.0
179.07048	1.1
180.03909	0.7
191.05583	17.6
191.07043	0.9
192.06012	0.8
193.05037	28.1
194.05357	1.3
201.01962	4.7
202.02693	6.1
207.10223	0.6
217.05055	15.1
218.05386	0.7
229.01266	0.7
233.06607	1.4
235.04063	0.6
235.06206	1.0
251.03564	0.7
265.05157	1.9
293.04584	1.1
294.01755	0.7
295.02460	0.9
319.02554	1.0
331.19278	5.7
332.19601	0.8
333.19791	0.6
337.03687	2.3
338.04312	0.9
349.20242	2.5
353.09000	3.2
373.20172	0.9
387.16757	7.0
388.17020	0.7
391.21432	0.6
429.21323	10.9
430.21768	1.1
447.22562	4.2
474.18985	1.0
489.22360	2.4
489.34393	1.9
490.22314	0.9
505.27188	0.6
507.22672	1.4
511.09021	2.3
534.21497	0.8
549.23608	94.8
550.24036	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	549.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12272	0.4
51.91926	0.4
55.01768	1.6
57.03343	4.7
58.00487	1.0
59.01266	24.8
60.01621	0.6
61.42736	0.4
61.94666	0.3
62.29827	0.4
67.01790	0.8
68.99675	0.5
69.03342	1.5
70.32974	0.8
70.33328	1.8
71.01270	29.0
72.99199	5.8
73.02840	3.3
75.00764	30.1
76.01102	0.6
78.95833	0.4
79.72797	0.5
83.01270	4.3
83.04884	0.5
85.02844	32.8
86.03200	0.4
87.00764	9.0
89.02341	9.4
93.03357	2.9
95.01283	3.7
96.95905	3.7
96.96848	0.5
97.02885	1.1
99.00775	10.5
101.02349	8.5
103.00275	0.7
109.02832	0.9
111.00781	1.3
111.04385	0.5
112.01560	0.5
113.02359	29.1
114.02690	0.8
114.72028	0.5
115.00307	3.2
116.01130	0.5
117.01875	2.1
119.03443	2.3
119.04945	1.8
125.02339	0.4
129.01877	0.9
131.03445	1.4
134.15833	0.4
135.04454	0.5
137.02411	1.0
139.00389	0.6
143.03427	0.6
145.02881	0.9
149.04506	0.5
155.03467	0.4
157.01347	1.1
161.04526	0.8
163.03947	1.5
173.04504	4.9
175.02420	3.2
176.02657	0.6
177.03181	0.6
191.05591	11.0
192.05989	0.7
193.04996	0.5
211.07591	0.6
249.56406	0.4
255.03163	0.8
283.02399	0.9
284.03516	0.4
391.81470	0.4
417.08249	1.3
431.22958	0.6
549.26105	100.0
550.26538	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	549.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36995	0.7
55.01762	1.5
57.03316	2.3
58.00463	1.4
59.01266	46.8
60.01574	0.8
69.03304	0.7
71.01270	29.3
72.01576	0.8
72.99172	1.8
73.02458	0.7
73.02843	12.5
75.00755	1.4
78.95365	0.8
78.95794	7.3
83.01273	3.2
85.02848	11.0
87.00771	3.5
89.02340	23.6
92.88475	0.6
93.03354	3.2
95.01306	1.5
96.95903	3.9
96.96866	5.7
97.02833	1.7
99.00786	8.0
99.04398	1.2
101.01710	1.2
101.02349	21.0
102.98480	1.0
111.00785	1.4
111.04350	0.8
113.02361	11.1
115.03882	1.2
119.03452	5.3
119.04906	1.0
121.02881	1.2
123.04459	0.9
125.02339	2.7
129.01854	0.8
131.03436	3.4
133.02864	0.9
134.03668	16.4
135.04367	2.4
136.01561	2.3
137.02361	4.9
139.03900	1.4
143.03419	2.0
145.02908	0.8
145.78668	0.7
149.04509	3.6
149.06018	4.7
151.03958	3.5
155.03372	0.9
161.02371	1.2
161.04448	1.8
163.03914	1.8
165.98997	1.6
166.02609	1.5
173.04431	2.6
178.02678	10.1
179.03439	3.1
179.05522	1.9
181.04944	1.9
181.12286	1.8
191.05602	8.0
193.05045	39.4
194.05292	2.0
196.01218	0.6
207.04202	1.3
225.11311	1.3
233.09499	3.1
255.02911	1.2
271.02493	1.3
300.02774	4.1
301.03519	4.2
357.09644	1.0
357.19125	1.3
369.22952	0.9
387.14688	5.9
388.14777	1.2
392.36700	0.7
404.09253	0.7
405.52365	0.7
489.23376	3.5
503.24936	1.2
505.10272	3.2
505.26559	1.0
506.10477	1.1
507.28204	7.1
508.28104	0.8
531.24097	3.0
549.25458	100.0
550.25739	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	549.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08189	0.4
55.89507	0.3
57.03331	0.7
59.01266	28.8
60.01591	0.7
60.69120	0.4
61.40105	0.4
61.98720	7.8
65.00220	0.5
69.54700	1.9
69.55119	1.0
71.01273	5.3
73.02841	1.8
82.28260	0.4
83.01293	0.5
85.02829	2.5
87.00781	0.7
89.02338	0.8
93.03337	0.9
95.01283	0.8
95.04912	0.5
97.02838	0.8
99.00764	1.0
101.02333	2.8
105.03366	1.4
113.02367	2.1
116.09093	0.3
117.03399	1.6
119.04922	0.5
121.02892	0.7
132.02101	20.0
133.02902	11.4
134.03671	26.8
135.04510	1.9
137.02368	1.2
146.03703	0.5
147.04393	1.2
149.06009	5.8
158.03673	7.4
159.04036	0.4
160.01608	94.0
161.02278	8.9
161.04520	1.1
161.05997	1.3
162.02774	0.5
163.92677	0.4
165.01840	0.5
173.04590	0.6
173.06017	7.2
174.03143	0.5
175.03966	100.0
176.04306	5.0
177.01939	2.3
177.05458	0.5
178.02592	1.1
179.03458	1.8
191.05583	3.0
191.07072	1.0
193.05037	23.0
194.05493	1.2
195.06726	0.4
201.01933	6.4
202.02699	9.4
203.03302	0.7
217.05063	27.4
218.05423	1.5
235.06195	1.8
331.17755	1.0
381.15039	0.5
399.16647	0.5
445.31830	0.9
474.18906	1.5
489.21564	3.3
490.21893	0.5
507.22473	1.4
511.57108	0.5
534.21136	1.4
535.21582	0.4
549.23560	98.7
550.23859	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	549.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08189	0.4
55.89507	0.3
57.03331	0.7
59.01266	28.8
60.01591	0.7
60.69120	0.4
61.40105	0.4
61.98720	7.8
65.00220	0.5
69.54700	1.9
69.55119	1.0
71.01273	5.3
73.02841	1.8
82.28260	0.4
83.01293	0.5
85.02829	2.5
87.00781	0.7
89.02338	0.8
93.03337	0.9
95.01283	0.8
95.04912	0.5
97.02838	0.8
99.00764	1.0
101.02333	2.8
105.03366	1.4
113.02367	2.1
116.09093	0.3
117.03399	1.6
119.04922	0.5
121.02892	0.7
132.02101	20.0
133.02902	11.4
134.03671	26.8
135.04510	1.9
137.02368	1.2
146.03703	0.5
147.04393	1.2
149.06009	5.8
158.03673	7.4
159.04036	0.4
160.01608	94.0
161.02278	8.9
161.04520	1.1
161.05997	1.3
162.02774	0.5
163.92677	0.4
165.01840	0.5
173.04590	0.6
173.06017	7.2
174.03143	0.5
175.03966	100.0
176.04306	5.0
177.01939	2.3
177.05458	0.5
178.02592	1.1
179.03458	1.8
191.05583	3.0
191.07072	1.0
193.05037	23.0
194.05493	1.2
195.06726	0.4
201.01933	6.4
202.02699	9.4
203.03302	0.7
217.05063	27.4
218.05423	1.5
235.06195	1.8
331.17755	1.0
381.15039	0.5
399.16647	0.5
445.31830	0.9
474.18906	1.5
489.21564	3.3
490.21893	0.5
507.22473	1.4
511.57108	0.5
534.21136	1.4
535.21582	0.4
549.23560	98.7
550.23859	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	549.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01269	24.0
61.98456	0.3
61.98712	3.2
68.99701	0.4
69.03343	1.1
71.01268	5.8
71.59555	0.4
73.02831	1.4
78.95787	1.6
83.01272	0.9
85.02849	3.8
87.00758	1.2
87.97768	0.3
88.98722	0.6
89.02332	2.6
93.03358	2.2
95.01266	0.6
95.04940	0.9
96.95905	1.2
96.96863	1.3
97.02854	1.0
97.06488	0.6
98.85853	0.4
99.00776	0.6
99.04440	0.4
101.02348	3.0
105.03382	0.8
109.02871	0.7
111.04419	0.6
113.02371	2.2
114.34092	0.4
117.03375	1.5
119.03454	0.6
119.04923	1.1
119.89597	0.3
121.02879	0.5
121.06521	0.7
123.04411	0.8
123.05293	0.4
132.02098	24.7
133.02901	12.7
134.03673	23.4
135.04477	5.2
137.02373	1.1
139.03877	0.3
143.03406	0.5
145.02872	0.8
145.08771	0.4
147.04471	1.2
149.06009	3.5
151.04018	0.4
159.04459	0.4
160.01611	100.0
161.02394	22.8
161.04533	0.9
162.02786	1.6
173.04512	1.5
175.03964	94.3
176.04320	5.5
177.01915	2.2
178.02617	0.6
179.03485	4.0
179.05045	0.5
191.05592	12.0
192.05963	1.0
193.05035	26.7
194.05321	1.8
195.06622	0.6
202.02643	0.5
215.19931	0.4
217.05063	0.7
233.09460	2.0
251.03645	0.5
264.04257	0.7
265.05206	0.7
293.04623	0.7
295.02606	0.7
314.65082	0.4
319.02518	0.5
337.03574	1.4
338.04221	0.4
345.30356	0.5
349.20416	1.2
353.08929	0.8
387.16705	5.5
388.17242	0.6
447.22638	0.5
489.21634	0.8
489.34433	3.6
490.34674	0.5
493.08350	0.6
507.35599	1.7
511.09146	0.7
534.21191	0.7
549.23669	72.4
550.23999	13.1
565.56482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.9
57.03345	1.2
58.00481	1.2
59.01266	100.0
60.01595	1.1
61.98725	0.9
69.03327	1.0
71.01271	24.3
72.01624	0.8
72.99193	3.0
73.02831	8.4
75.00770	0.7
78.95803	0.9
80.67855	0.5
81.03355	1.3
83.01287	3.3
83.04926	1.7
85.02844	12.8
87.00775	12.2
89.02337	17.9
93.03369	2.1
95.01298	1.6
95.04938	0.9
97.02860	1.4
97.06535	1.0
99.00782	7.7
99.04476	0.8
101.02351	16.9
105.03374	0.9
106.47160	0.7
106.51555	0.6
107.04956	1.7
108.02101	1.0
109.02847	1.0
110.03633	0.6
111.00793	0.9
111.04454	1.3
113.02361	14.5
115.03938	0.9
118.75538	0.5
119.03428	5.0
119.04932	0.6
121.02876	2.7
123.04443	4.3
125.02368	2.8
125.06030	2.4
129.01880	2.2
131.03461	2.8
132.02094	1.6
133.02881	27.3
134.03685	0.7
135.04437	7.1
137.02303	1.5
139.03920	1.0
141.05511	1.9
143.03404	1.6
145.02805	0.8
149.04524	1.6
152.56496	0.7
153.05505	1.2
155.06993	0.7
161.02391	82.5
161.04555	3.5
162.02742	5.1
163.11211	3.8
169.05006	2.2
169.12271	0.8
173.04512	2.1
177.01917	1.2
177.05563	0.8
179.03462	5.0
181.33054	0.8
191.05591	3.9
195.06604	0.6
207.10263	7.0
225.11349	0.7
233.06610	3.7
293.08829	0.8
325.15952	0.7
331.17764	3.2
371.17056	1.7
387.16681	57.1
388.16992	6.6
417.24817	1.3
427.12640	0.6
427.19727	1.5
445.20868	38.4
446.21066	4.4
463.21991	12.6
464.22308	1.8
505.22940	3.4
521.93079	0.7
549.19800	38.8
549.28589	10.1
550.20166	8.5
550.29114	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
59.01265	34.3
61.98730	2.6
69.30697	5.0
71.01268	6.4
73.02830	1.7
78.95758	0.7
83.01271	1.1
85.02837	3.5
87.00780	2.5
89.02332	3.4
93.03342	0.7
95.01270	0.7
96.95895	1.1
97.02862	1.1
98.19845	1.0
99.00780	1.7
101.02348	4.7
105.03350	0.8
113.02359	3.3
117.03388	2.2
119.03434	0.8
119.04947	1.0
119.33662	0.6
121.02855	0.6
123.04393	0.7
127.07584	1.1
131.03397	0.8
132.02098	19.5
133.02887	7.5
134.03673	26.3
135.04378	1.7
136.01651	0.5
137.02263	0.7
147.04498	1.3
149.06013	6.2
158.03648	4.4
160.01604	86.8
161.02249	7.1
161.04430	1.1
163.11244	0.6
173.04498	1.5
173.06038	5.0
174.03198	0.7
174.06223	0.6
175.03963	94.6
176.04274	4.8
177.01866	2.0
178.02699	0.8
179.03445	2.2
191.05591	4.4
191.07144	1.4
193.05035	28.8
194.05411	2.1
201.01883	4.4
202.02675	5.6
217.05061	17.1
218.05368	1.4
233.06726	0.5
235.06152	1.6
235.60513	0.5
318.20837	0.6
323.49905	0.6
331.19284	4.1
332.19653	0.7
345.30081	0.7
349.20175	6.5
350.20667	1.0
387.16605	2.7
429.21231	3.6
430.21936	0.9
447.22391	3.3
474.18857	0.8
489.22620	4.1
489.34473	1.7
490.23480	0.6
507.22433	1.1
534.22198	0.7
549.23578	100.0
550.23956	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	549.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03336	1.6
59.01266	54.2
60.01608	0.7
61.98716	0.9
67.01778	0.6
69.03362	0.7
69.25600	4.7
69.26007	0.8
71.01272	16.6
71.04921	0.7
72.99204	2.8
73.02842	3.1
75.00764	3.8
78.95798	0.8
81.03319	0.5
83.01288	1.9
83.04966	0.8
84.71580	0.5
85.02838	7.3
87.00794	4.2
89.02339	10.8
90.02695	0.4
93.03361	2.1
95.01299	1.7
96.95931	1.9
97.02882	0.8
98.20577	0.9
99.00799	2.0
99.04430	1.9
101.02351	10.8
102.98517	1.4
109.02852	1.2
111.00776	1.0
111.04436	0.7
113.02357	8.8
117.03387	1.5
119.03430	3.8
119.04967	2.1
121.02860	1.1
123.04409	0.5
123.08050	0.6
125.02368	1.2
129.01895	1.0
131.03465	1.4
132.02097	1.3
133.02887	33.2
134.03719	2.3
135.04460	8.6
136.04813	0.6
137.02365	2.2
143.03406	0.7
145.02905	3.0
149.02368	0.7
149.06039	1.3
151.00307	2.5
160.01617	0.9
161.02396	100.0
162.02745	6.2
163.03952	1.5
163.11259	3.9
165.12834	0.6
173.04555	2.9
175.02536	0.6
175.03970	1.7
177.01871	1.1
177.05515	1.1
179.03481	6.6
191.05608	5.9
192.05957	0.6
193.04988	0.8
201.04037	0.8
207.10265	9.2
219.05115	1.4
278.05820	0.5
301.07315	4.8
327.21747	1.7
329.17731	1.5
337.09552	0.4
347.18677	2.5
348.74948	0.6
353.08942	1.4
353.23157	0.5
371.17676	0.5
387.16708	69.6
388.17017	8.4
396.85095	0.5
433.64395	0.4
489.17618	0.6
505.13730	1.3
505.20355	1.0
505.26904	3.4
531.18335	0.8
549.20160	66.5
549.29419	5.7
550.20386	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.9
57.03349	0.9
57.79032	0.7
59.01267	54.5
60.01593	0.9
61.98706	2.2
68.11949	0.7
69.03339	1.3
71.00897	1.6
71.01276	20.1
71.98289	0.7
72.99200	3.1
73.02833	4.4
75.00760	1.8
78.95790	2.0
82.57375	0.8
83.01258	3.1
85.02839	7.3
87.00766	5.4
88.98704	5.5
89.02339	17.9
91.60873	0.9
93.03345	4.2
95.01284	1.8
96.95908	2.7
96.96866	1.0
97.02828	0.9
99.00781	2.2
101.02351	14.2
109.02843	1.0
111.00810	1.1
111.04409	0.9
113.02359	9.3
115.91955	1.0
119.03439	5.2
119.04910	2.1
121.02854	1.0
125.02335	1.0
127.03995	1.1
131.03441	2.1
133.02882	27.6
134.03714	4.1
135.04474	6.3
136.99977	0.8
137.02336	1.5
145.02861	0.9
149.04480	1.7
149.06032	1.1
160.01633	1.8
161.02397	100.0
161.04536	3.2
162.02676	4.6
163.03990	1.5
163.11195	4.2
165.09196	1.2
173.04532	4.7
173.05852	1.0
175.03935	3.0
176.94872	0.9
177.01837	2.5
177.05527	1.3
178.02708	0.9
179.03470	5.1
181.12294	1.3
191.05598	9.8
192.06003	0.8
192.90045	0.8
193.04988	2.3
207.10245	9.4
211.07610	0.8
221.04625	1.1
222.18439	0.8
225.11311	1.8
229.73335	1.0
289.69794	0.8
339.90619	0.9
353.08243	0.8
371.14969	1.3
387.16727	72.5
388.17072	7.1
417.25043	4.0
463.25586	2.6
505.26563	8.0
506.27042	1.3
549.19873	53.5
549.29053	22.4
550.20239	8.8
550.29352	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	6.0
60.01615	0.3
61.98715	0.7
69.33174	2.0
71.01273	1.3
73.02853	0.7
80.35391	0.2
81.03356	0.2
81.23302	0.2
85.02848	0.7
86.22707	0.2
87.00780	1.2
89.03866	2.0
89.96282	0.2
93.03359	0.6
98.19818	0.4
101.02348	0.6
102.98502	0.2
104.02604	0.4
105.03376	3.1
109.02904	0.3
112.50741	0.2
113.02338	0.6
121.02857	0.3
125.02396	0.2
133.02882	9.1
134.03477	0.2
135.04425	0.5
143.03453	0.2
148.01605	0.4
149.02397	0.8
151.07536	0.2
160.01613	0.5
173.04608	0.3
173.06026	0.3
175.03935	0.5
176.01114	1.0
177.01895	100.0
178.02235	5.1
180.77721	0.2
183.13922	0.7
186.06764	0.2
191.05522	0.9
193.05040	0.3
200.04701	0.2
214.06352	0.3
215.07095	0.5
227.13074	0.3
229.08734	0.4
321.06317	0.2
345.30225	0.4
371.15149	0.4
488.33426	0.6
489.34454	1.2
507.35336	0.7
531.19244	0.4
549.19885	12.0
549.29065	0.7
550.20142	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59450	0.8
57.40339	0.7
57.92477	0.6
58.56319	0.7
59.01271	10.8
59.03300	0.6
69.60860	4.8
71.01264	2.4
72.98585	0.7
89.02348	1.7
96.95927	1.4
98.20552	0.8
101.02368	1.5
117.03373	0.7
132.02081	1.2
134.03670	61.8
135.03973	2.8
137.02368	1.6
139.03899	0.8
149.06030	21.4
150.06348	1.0
151.06059	3.5
160.01634	6.7
175.03964	10.6
176.55005	0.7
178.02686	10.2
193.05040	100.0
194.05341	5.7
234.98470	0.8
235.06128	3.3
327.10913	45.0
328.11185	4.0
355.10428	12.7
356.10733	1.0
510.08170	0.8
544.02344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20406	0.3
55.01719	0.4
57.03315	0.3
58.00438	1.2
59.01265	19.4
59.01534	1.0
60.01568	0.4
67.01733	0.4
68.99659	0.4
69.03299	0.4
70.73579	0.9
71.01270	6.7
72.99200	5.6
73.02837	4.0
76.90739	0.3
78.95796	23.1
83.01267	2.5
85.02850	3.4
87.00787	2.1
89.01834	0.5
89.02336	7.0
93.03383	0.4
95.01260	0.6
96.96867	22.5
99.00781	2.5
100.01627	0.3
101.02358	1.7
101.99473	0.9
103.03817	0.3
106.02744	0.4
108.90097	1.7
108.93688	0.3
111.01931	0.4
111.41500	0.3
113.02359	5.0
113.03123	0.4
113.03516	0.6
115.00285	2.7
117.01855	99.9
117.05486	0.8
118.02221	2.7
119.03393	0.8
121.05118	0.6
129.01881	1.2
131.03455	2.7
131.04550	1.3
133.01372	8.9
134.03682	0.5
135.04501	0.4
141.01891	0.3
147.04510	0.8
149.03413	0.5
157.01433	0.8
159.02959	0.6
161.04576	0.6
163.06081	1.4
164.05707	2.0
164.92795	0.9
165.05489	0.4
175.02429	2.6
179.05701	0.6
180.00702	0.3
189.04053	2.7
190.05110	0.7
191.05586	2.9
193.05220	0.5
195.05185	0.5
206.94936	1.4
207.05170	100.0
208.05086	3.9
219.05208	0.6
223.03960	0.8
267.07870	0.3
267.10406	1.3
323.10229	0.4
341.11594	1.0
343.06961	0.4
407.19775	0.4
474.63525	0.3
503.17282	0.5
549.17426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42915	1.4
57.03317	2.4
59.01260	31.8
61.98729	1.5
67.01784	1.6
69.03355	2.0
70.44160	5.8
71.01279	9.6
72.99187	1.9
73.02843	4.8
83.01255	2.3
85.02846	7.8
87.00768	3.7
89.02348	4.0
93.03360	6.0
95.04878	1.9
96.95914	7.3
97.02827	4.5
97.87356	1.5
98.20416	1.8
99.04414	3.6
101.02335	7.1
111.66297	1.7
112.12352	1.6
113.02339	4.5
117.03348	4.6
119.03388	2.5
119.04948	4.2
121.02851	3.4
123.04514	2.7
125.02370	11.8
132.02098	20.8
133.02884	17.0
134.03668	90.5
135.04512	10.8
137.02321	7.6
139.03909	2.7
145.02849	6.4
147.04370	1.9
149.06026	12.3
151.00365	2.0
151.09734	1.7
160.01605	97.5
161.02388	22.7
162.02812	2.7
163.03923	5.0
173.04485	6.6
173.05907	1.7
175.03958	100.0
176.04381	3.5
177.01846	3.3
178.02681	11.6
179.03491	8.2
180.03880	1.8
191.05612	16.6
192.05928	1.8
193.05032	92.8
194.05338	3.7
201.13181	1.8
202.02467	1.9
202.77438	1.4
217.05064	8.0
235.17079	1.6
262.96442	1.5
300.02737	1.8
301.07153	3.0
379.10428	29.9
380.10623	2.9
387.16629	5.5
463.25647	3.2
505.13739	41.8
505.26413	6.1
506.13623	7.4
549.17072	6.1
549.22046	1.8
549.29565	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	549.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70962	0.2
59.01271	0.7
60.99210	0.2
61.98724	0.3
62.20086	0.1
63.21479	0.2
70.64616	0.2
70.64978	0.5
71.01269	0.4
74.20367	0.1
76.15855	0.2
77.03862	1.9
78.95761	0.3
85.02839	0.5
93.03364	1.3
94.98571	0.2
99.04398	0.2
100.17455	0.2
100.67506	0.1
111.04390	0.2
117.03388	0.2
119.04951	2.2
120.05312	0.3
121.02872	100.0
122.03204	3.4
124.01727	0.2
133.02850	0.8
135.04440	0.4
137.02377	0.3
141.01637	0.3
145.02892	0.8
147.04445	0.6
152.99596	0.3
161.02402	1.1
165.01884	48.9
166.02225	2.3
173.04529	0.5
179.03439	0.4
179.04889	0.2
180.05730	0.7
181.06552	2.9
191.03821	0.2
191.05576	3.1
192.06049	0.2
197.06042	2.4
198.06398	0.2
199.07645	0.2
207.04553	0.8
207.08066	0.4
223.04005	0.3
225.05603	1.7
257.09732	0.8
265.05096	0.2
313.07187	1.1
315.14993	0.2
339.05139	0.5
357.06183	0.7
373.10785	0.2
383.07730	0.4
417.09857	1.4
505.11588	1.9
506.12015	0.3
549.10510	32.0
550.10870	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	549.0901
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01264	4.4
60.51824	0.4
63.02274	0.6
65.00201	0.7
71.01286	1.0
72.36012	0.5
72.99218	0.7
80.26862	0.5
83.01262	1.3
85.02842	1.9
89.02319	0.6
91.01769	0.4
92.49982	0.4
93.03358	1.8
96.95912	0.9
99.00787	0.6
100.52356	0.4
107.01326	2.4
107.04924	0.5
108.02079	1.8
109.02859	1.8
113.02322	0.8
121.02887	2.7
123.04403	1.6
133.02878	1.0
135.00806	0.7
135.04448	3.3
136.04713	0.5
137.02373	1.5
148.01587	1.7
149.02376	0.7
150.99141	0.8
151.00317	11.3
151.03925	2.7
159.04407	0.6
161.02426	2.4
163.00310	2.4
164.00987	0.8
165.12874	0.5
169.01486	0.6
173.04567	2.3
175.03981	0.5
177.01836	0.5
178.99850	5.7
179.03439	2.3
187.03957	0.8
189.05684	0.5
190.99733	0.5
191.05562	5.8
192.00716	0.7
192.05919	0.8
193.01215	0.5
194.53693	0.4
199.03906	0.9
211.03952	1.7
213.03772	0.6
226.02650	0.9
227.03487	2.9
229.04897	0.6
229.59991	0.7
243.03023	10.9
244.03401	1.0
245.04570	1.3
254.02245	2.3
255.03029	27.7
256.03458	2.5
271.02533	56.9
272.03003	6.1
273.03830	0.5
283.02475	1.0
299.01932	1.3
300.02820	100.0
301.03528	38.8
302.03848	3.0
353.09070	0.9
387.09381	1.6
463.08841	2.9
505.09979	55.5
506.10272	9.8
549.21832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.4
57.03340	0.6
58.00487	0.3
58.02867	0.3
59.01267	47.2
59.80042	0.2
60.01601	0.8
61.98718	100.0
62.55639	0.2
69.03355	0.4
71.01273	5.0
72.01590	0.3
72.99209	0.6
73.02834	2.0
75.00766	1.0
79.22239	0.2
83.01279	1.0
85.02857	3.7
86.76254	0.3
87.00780	1.7
89.02352	1.4
93.03362	3.3
95.01295	0.5
96.95892	0.5
97.02853	0.5
97.06450	0.4
98.19794	0.9
99.00749	1.2
101.02350	3.6
102.01814	0.5
107.04990	0.3
108.02045	0.4
109.02832	0.5
111.04408	0.7
113.02363	3.0
115.91949	0.7
116.92764	0.4
117.03338	0.9
119.04957	5.0
120.05257	0.6
121.02863	0.3
127.03928	0.3
129.01874	0.4
131.03410	0.4
133.02824	0.6
134.03633	1.0
135.04472	1.5
137.02287	0.7
143.04823	0.3
145.02879	2.8
146.03212	0.5
147.04410	0.3
149.04477	0.4
149.05891	0.2
152.01018	0.4
155.03383	0.7
159.02882	0.4
160.01508	0.8
161.02438	1.3
161.04507	1.7
163.03946	5.2
164.04222	1.0
173.03334	0.2
173.04514	3.2
175.03923	0.7
179.03433	0.6
187.03902	0.3
191.04001	0.4
191.05592	6.3
192.05812	0.6
193.04921	0.5
199.55754	0.2
211.07535	0.7
229.04773	0.3
253.08473	0.5
255.02864	0.4
255.06473	1.0
263.14493	0.3
267.07269	0.3
279.06354	0.3
285.03522	0.4
304.19818	0.4
307.22589	0.5
327.08707	0.6
337.08942	0.5
345.16745	0.4
347.18112	0.8
348.19034	1.6
349.19391	0.7
350.20105	0.9
351.21191	0.9
390.10101	0.3
399.24033	3.8
400.23709	0.4
439.13095	0.5
441.25018	3.2
442.24750	0.6
504.18930	0.3
505.19958	0.3
548.16809	0.3
549.22546	2.3
554.29199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.4
57.01263	0.4
57.03349	0.6
58.02898	0.3
59.01269	45.4
60.01632	0.7
60.65285	0.3
61.53183	0.3
61.98721	100.0
66.21201	0.3
67.01786	0.7
70.51283	0.5
70.51632	1.0
71.01275	6.3
72.99203	0.6
73.02850	2.5
75.00765	1.0
79.95647	0.3
83.01263	0.7
85.02850	3.4
87.00804	1.6
89.02337	2.5
93.03366	4.9
95.01279	0.4
95.68180	0.3
96.95903	1.1
97.02847	0.5
97.06480	0.6
98.19914	0.4
99.00773	1.1
101.02361	4.6
102.01871	0.5
103.00251	0.6
108.02060	0.5
109.02841	0.5
111.00722	0.3
111.04388	1.1
113.01718	0.3
113.02373	2.6
115.00213	0.5
115.91951	0.9
116.92738	1.0
117.03345	1.3
119.03540	0.4
119.04951	9.3
120.05286	2.0
121.02843	1.1
125.02354	0.3
129.01814	0.5
133.02811	1.2
134.03609	1.2
135.04486	1.7
137.02379	1.6
143.03452	0.5
143.04944	0.3
145.02890	4.6
146.03258	1.0
147.04396	0.7
149.04411	0.4
155.03337	1.2
159.02831	0.6
159.04366	0.4
160.01494	1.5
161.02272	1.5
161.04451	1.8
163.03964	10.2
164.04309	3.3
173.04517	4.7
175.03908	1.7
177.01833	0.4
178.02586	0.7
179.03484	1.6
191.05592	9.8
192.05861	0.7
193.04915	0.8
195.04994	0.4
211.07437	1.3
223.07559	0.4
224.29970	0.3
251.07117	0.4
253.08501	0.9
255.06656	2.6
270.57855	0.3
279.06601	0.4
291.18692	0.4
319.08069	0.4
323.12775	0.4
327.08521	1.2
337.08984	0.9
347.18024	0.3
363.17685	0.4
399.23953	2.9
439.13272	1.0
441.25104	4.2
504.19208	0.7
548.17163	1.1
548.25018	0.5
549.15192	0.7
549.22577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
56.99753	0.3
57.03337	0.9
59.01267	86.1
60.01600	3.5
61.98719	100.0
65.93367	0.3
69.03351	0.4
71.01276	11.2
71.59470	0.4
72.01599	0.5
72.99198	0.7
73.02837	3.2
74.02348	1.6
75.00745	0.4
78.95811	0.5
81.03372	0.5
83.01288	1.7
85.02846	5.4
86.03189	0.4
87.00780	4.0
89.02341	2.4
93.03357	3.0
95.01303	0.7
96.95883	0.8
97.02850	0.4
97.06482	0.3
97.41583	0.4
99.00770	1.1
101.02348	6.9
109.02844	1.1
111.00781	0.8
111.04395	0.6
111.43314	0.3
113.01633	0.4
113.02357	6.1
114.02674	0.9
115.91974	0.4
116.92766	0.5
117.03343	0.6
119.03416	0.9
119.04903	1.4
121.02862	0.5
125.02352	0.8
129.01849	0.5
133.02850	0.5
134.03687	2.0
135.04391	1.1
137.02356	0.8
143.03380	1.0
145.02797	1.0
153.01772	0.8
155.03419	0.7
159.02840	0.7
160.01617	1.6
161.02209	0.9
161.04500	3.4
163.03963	1.5
173.04578	2.3
175.03906	2.1
177.01874	2.4
178.02251	0.5
186.85039	0.3
187.07498	0.5
191.04037	0.3
191.05595	4.6
192.05754	0.5
193.04967	1.2
200.04713	0.6
201.05420	0.7
209.93565	0.3
211.07492	1.0
214.06166	1.4
215.06927	1.2
229.08586	0.9
230.09343	0.4
255.02879	0.4
261.95706	0.4
285.03778	1.1
309.14630	0.4
343.28201	0.4
344.28531	1.2
371.14490	1.2
399.24023	1.9
400.23532	0.5
441.25024	3.3
442.24829	0.6
470.31519	0.6
487.32932	4.3
488.33249	12.4
489.33954	1.5
504.27618	1.2
505.26971	0.5
505.33215	1.8
506.34381	4.9
507.34415	0.6
510.25742	0.6
547.34412	0.4
549.17285	1.8
549.30518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00959	0.6
59.01268	21.0
61.98719	100.0
62.98431	0.3
69.03342	0.5
71.01271	5.8
71.46403	0.3
71.46732	0.2
72.99216	0.5
73.02839	5.8
78.95796	1.9
83.01280	2.0
85.02868	0.9
87.00774	0.5
89.02345	1.8
96.95936	0.4
96.96875	0.5
97.02879	0.5
99.00802	0.3
101.02356	8.3
101.03014	0.4
113.02354	2.9
119.03418	1.3
125.02431	0.4
125.09345	0.3
131.03468	0.8
133.02921	0.7
134.03676	0.2
135.04466	0.5
137.02420	0.2
143.03485	1.0
149.04506	1.5
150.06857	0.8
152.99561	0.2
155.03395	0.3
160.01633	0.7
161.02457	2.3
161.04497	3.7
161.05838	0.3
162.04837	0.2
162.38652	0.3
166.94095	0.2
175.03966	0.6
179.03543	0.5
191.05540	1.2
192.61923	0.2
203.05606	0.3
221.06720	0.9
237.18616	0.3
250.10936	0.3
277.15475	0.2
319.22992	0.4
335.02274	0.3
355.29294	0.2
367.62024	0.3
381.23074	0.3
399.24261	0.8
441.25217	1.4
442.25571	0.4
443.94620	0.3
445.31873	0.5
462.24551	0.4
548.28278	0.6
549.23816	0.8
549.31293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.9
56.00781	0.2
57.03344	1.8
58.00485	0.3
59.01268	100.0
60.01606	1.4
61.98721	12.2
62.62153	0.2
67.44566	0.2
69.03349	0.6
71.01274	14.8
71.04922	0.5
71.60386	0.3
72.01626	0.2
72.99214	0.7
73.02837	3.7
74.02371	2.0
75.00771	0.7
78.95821	0.2
79.95618	0.2
81.03378	0.5
81.06390	0.2
83.01288	3.3
84.02099	0.2
85.02849	9.7
85.99997	0.4
86.03190	0.2
87.00772	1.9
87.01202	0.2
89.02354	1.6
93.03358	2.0
93.03825	0.2
93.28953	0.2
94.03760	0.2
95.01301	1.6
96.95905	1.7
97.02844	1.0
97.06520	0.3
99.00779	2.4
99.04469	0.2
99.08130	0.2
101.02355	8.8
102.97173	0.2
105.03374	0.4
107.74888	0.2
109.02892	0.3
111.00822	0.9
111.04446	0.4
112.01594	0.5
113.02361	9.6
113.09648	0.3
114.02721	0.2
115.03927	0.7
119.03394	0.4
119.04975	0.8
124.01604	0.4
125.02386	1.8
129.01891	0.3
133.02863	1.4
134.03691	0.5
135.04474	0.9
137.02379	0.4
143.03427	2.8
145.02922	0.6
147.11783	0.2
149.04590	0.2
149.13307	0.9
152.01073	0.2
153.01901	0.3
155.03474	0.4
157.12297	3.1
157.13496	0.3
158.12610	0.2
159.02950	1.0
160.01665	0.4
161.02411	0.4
161.04497	4.5
163.04022	0.8
173.04541	1.9
173.05933	0.2
175.03925	0.5
177.01897	13.2
178.02321	0.8
179.03490	0.4
187.04041	0.2
187.07394	0.3
191.05609	3.7
192.05977	0.8
192.25476	0.2
193.06122	0.5
201.09149	0.2
201.15044	0.2
203.07062	0.2
211.07710	0.3
213.18567	0.2
214.06360	0.4
215.06877	0.5
216.07257	0.3
225.18735	0.2
229.08711	0.3
231.10289	0.4
242.68817	0.2
257.07892	0.3
274.11481	0.2
275.09265	0.3
283.26517	0.3
313.27640	0.5
325.27573	0.7
337.09381	0.2
343.28571	4.6
344.28949	0.7
372.15680	0.3
373.16110	0.6
385.29559	0.4
399.23962	0.2
439.30856	0.4
441.25064	0.2
444.26151	0.2
451.30548	0.3
457.31866	0.6
469.31821	1.3
470.31918	0.2
487.32895	42.0
488.33264	7.0
504.28302	2.3
505.33969	14.0
506.34320	1.9
547.18945	0.9
547.26660	0.7
547.35205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	2.1
59.01265	100.0
60.01620	1.3
61.98714	21.5
63.73881	0.8
69.91298	5.4
71.01273	9.0
72.99192	1.1
73.02858	2.8
74.95113	0.9
78.95797	15.4
83.01276	2.3
83.04890	0.9
85.02846	5.1
87.00784	1.3
88.46728	0.9
91.80353	1.1
93.03361	2.4
96.95918	1.4
96.96868	4.2
97.02854	1.5
98.20447	1.4
101.02341	5.0
102.98532	1.1
111.95708	0.9
113.02329	2.8
117.88848	0.9
119.10703	0.9
119.35468	1.0
132.02049	1.1
133.02881	2.7
138.97934	1.5
145.02898	2.3
148.05304	1.5
152.81459	1.0
160.01607	2.4
161.02287	4.6
161.04532	1.5
173.04594	1.4
175.03897	2.6
176.04350	1.8
177.01918	3.2
191.05605	5.2
191.07132	1.2
192.04265	1.6
192.05893	1.2
195.06743	1.2
203.30061	1.1
241.01260	1.1
299.26144	1.3
331.19180	1.9
443.30243	13.5
451.50095	1.0
461.31351	8.0
462.31741	1.2
487.33249	1.9
503.32169	1.3
529.25641	1.8
531.31525	1.1
547.19238	1.5
547.27081	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	547.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.8
57.03338	1.6
58.00482	0.3
59.01266	100.0
60.01603	1.3
61.98718	2.8
68.99733	0.2
69.03336	0.8
70.90182	0.2
71.01272	16.0
71.04933	0.2
72.01633	0.2
72.99199	0.6
73.02836	3.9
75.00768	0.4
76.70353	0.1
81.03362	0.3
83.01279	3.3
83.04941	0.1
84.02060	0.3
85.02846	9.5
85.99967	0.6
86.03199	0.3
87.00776	1.7
87.01274	0.1
87.04417	0.2
89.02341	3.4
92.87198	0.1
93.03350	0.7
95.01289	2.2
97.02854	1.8
97.06502	0.2
99.00780	2.1
99.04394	0.2
100.30235	0.1
101.02346	8.1
101.23477	0.1
102.02699	0.2
109.02883	0.1
111.00793	0.8
111.04411	0.2
112.01581	0.5
113.02356	13.3
114.02695	0.5
115.03911	0.7
119.03401	0.8
119.04936	0.2
121.02863	0.8
121.10158	2.8
123.08057	0.1
124.01593	0.5
125.02373	2.5
127.11252	0.1
129.01849	0.2
131.03442	0.2
134.03578	0.2
137.02385	0.2
141.01820	0.2
143.03436	5.4
144.03798	0.2
145.02942	0.1
149.13315	0.1
151.45280	0.1
157.12302	0.3
159.02921	0.9
160.01601	0.2
160.85974	0.1
161.04514	5.1
162.04889	0.2
166.80534	0.1
169.12328	0.2
171.13861	0.2
173.04529	0.6
174.04762	0.1
175.03978	0.2
177.01894	0.3
179.05612	0.3
185.15439	2.1
186.06844	0.2
191.05559	1.6
192.05966	0.6
193.06093	0.4
197.15521	0.1
205.03458	0.3
214.06339	0.2
215.06947	0.2
216.07315	0.2
229.08748	0.3
229.18181	0.2
231.09996	0.2
236.19821	0.1
256.07318	0.2
283.26544	0.2
299.20105	0.1
299.66409	0.1
307.26840	0.1
313.27628	0.4
319.80502	0.1
325.27542	0.5
341.26907	0.3
343.28604	3.4
344.28995	0.5
347.20795	0.2
355.28491	0.3
367.28427	0.2
369.13193	0.1
373.15848	0.2
385.29736	1.1
386.30008	0.1
402.38110	0.1
413.29117	0.2
414.29224	0.2
427.30756	0.3
439.30692	0.6
449.14810	0.1
451.30783	0.4
457.31927	0.9
469.31656	0.6
485.31152	0.1
487.32874	39.2
488.25891	0.3
488.33203	6.6
505.33951	14.6
506.34308	2.4
547.21405	0.5
547.35492	0.9
548.35980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.5
57.03336	2.7
58.00481	1.7
59.01267	100.0
59.17487	0.3
60.01596	0.9
60.99179	0.5
61.98719	2.7
67.01788	1.3
68.99718	0.5
69.03347	1.5
71.01273	52.6
71.57189	0.7
72.01607	0.8
72.99204	4.4
73.02839	9.6
73.03246	0.5
75.00774	1.8
78.95807	0.8
81.03342	0.6
83.01287	7.1
83.01783	0.5
83.04941	0.5
84.02097	0.4
85.02846	18.8
85.99975	0.8
87.00777	5.9
88.98715	0.5
89.02341	39.1
90.02701	0.7
93.03364	7.2
94.03695	0.7
95.01282	2.8
96.95923	4.5
97.02854	3.3
99.00784	6.4
99.04420	0.6
101.02348	24.5
102.02687	0.5
108.02104	0.7
109.02891	1.2
111.00791	1.6
111.04458	2.1
112.01595	1.9
112.92931	0.3
113.02361	21.8
115.00308	0.5
115.03949	0.5
115.60532	0.4
117.03400	1.5
119.03500	2.4
119.04946	7.2
120.05276	0.7
121.02878	2.2
123.04463	0.6
123.08060	0.6
125.02384	4.2
127.03944	0.8
129.01872	0.8
131.03433	11.8
133.02882	1.1
134.03651	0.7
135.04466	1.9
137.02405	2.5
143.03442	3.7
143.04509	0.4
143.05006	0.5
145.02896	4.3
146.03273	1.1
147.04509	0.7
149.04491	6.0
151.11252	0.8
152.01112	0.7
155.03433	2.5
156.03830	0.6
159.02924	2.4
159.04196	0.5
160.01631	1.2
161.02492	2.0
161.04498	7.8
163.03964	6.7
163.05193	0.6
164.04297	1.1
167.03427	0.5
172.00378	0.3
173.04512	8.8
173.05988	0.4
174.04846	2.2
175.03989	1.4
177.01973	0.8
178.02629	0.5
179.03493	1.0
179.05600	0.6
181.05074	1.1
185.04465	0.5
191.05595	19.4
192.05908	2.1
193.06180	0.5
203.03497	0.4
208.99510	0.9
209.15425	0.5
210.06816	0.4
211.07599	1.2
211.17043	2.7
223.07837	0.3
227.03526	1.1
233.06801	0.4
237.89171	0.4
249.06233	0.4
255.03004	1.8
256.03717	0.7
267.07257	1.5
271.06006	0.4
272.28207	0.4
279.06628	0.4
281.12329	0.7
284.03391	3.3
285.04092	4.4
286.04523	0.7
293.09198	0.5
299.05624	1.6
300.06342	0.4
307.19272	3.3
313.07172	0.5
319.08383	1.2
320.08649	1.0
325.20242	0.5
327.08829	0.9
329.17645	1.0
337.09348	1.3
337.20120	0.4
338.09644	0.6
347.18683	1.2
355.21313	8.6
356.21771	1.0
371.19003	0.4
373.22418	8.6
374.22910	1.1
397.22696	1.0
415.23441	5.8
416.23743	0.9
417.21283	0.7
447.09256	1.0
484.13419	3.4
485.13562	0.4
485.29257	0.5
487.25543	1.2
503.19751	1.2
505.26691	70.0
506.26996	10.0
547.27856	57.9
548.21106	0.5
548.28284	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	547.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72783	0.4
57.03315	0.5
59.01264	11.5
61.98717	10.0
69.28715	1.1
69.29142	2.4
70.25463	0.3
71.01268	1.2
71.04909	1.7
71.43246	0.3
73.02806	0.3
78.95778	0.7
84.95567	0.3
85.02848	2.2
88.98692	0.4
89.02354	1.0
93.03334	0.8
94.06502	0.3
96.95916	0.8
97.02868	0.9
97.06488	41.5
97.45055	0.3
98.06829	1.5
101.02346	1.1
105.36013	0.4
107.04946	1.0
109.02871	0.6
109.06492	0.8
113.02359	0.9
119.04902	0.4
120.99569	0.8
123.08092	0.7
125.09627	0.7
128.82335	0.4
132.02066	0.5
133.02837	0.6
134.03635	1.0
135.04417	0.4
137.02353	0.7
147.04514	0.4
149.06073	0.5
160.01579	2.5
161.02422	1.9
161.04628	0.4
163.11208	0.5
173.04463	0.8
175.03976	2.3
179.03474	0.5
179.05518	0.5
191.05571	1.3
193.05054	1.1
195.06671	0.8
197.02260	0.5
206.09154	0.4
233.11821	0.7
261.22253	1.2
271.17062	0.7
287.20215	0.9
305.21320	0.4
311.29758	0.4
331.19217	16.0
332.19574	2.1
349.20264	100.0
350.16385	0.7
350.20624	12.4
371.16171	0.8
371.66415	0.5
388.19278	0.4
487.32608	1.8
547.23029	9.5
548.23553	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	547.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.8
61.98729	2.0
69.33272	5.1
71.01273	0.7
85.02869	1.6
93.03362	1.1
96.95924	1.8
97.02834	2.5
98.95528	0.7
101.02338	0.5
109.02856	0.8
111.04418	0.6
112.87395	0.5
117.03403	0.5
123.08103	0.7
127.07575	18.4
128.07947	0.5
133.02867	3.2
135.04451	3.0
137.02371	2.2
147.27844	0.5
161.02400	7.9
161.09663	1.8
162.02725	0.7
163.11319	1.1
165.09148	0.9
167.03558	0.6
173.04486	0.9
173.35721	0.4
175.03909	0.9
177.80261	0.5
179.03477	2.0
191.05573	4.1
191.07144	7.5
192.05997	0.5
197.02231	0.9
203.14323	0.6
203.80997	0.4
205.08698	6.8
206.09160	0.8
206.34973	0.5
207.10225	0.9
213.65808	0.5
221.08208	0.9
269.19229	1.0
313.18182	7.9
314.18457	1.4
330.05194	0.5
331.19241	42.5
332.19559	5.8
345.67093	0.5
349.20294	100.0
350.20624	13.7
355.08325	5.1
356.08698	0.9
494.67044	0.6
529.17047	1.2
547.23273	18.8
548.23694	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	547.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66415	0.4
59.01263	4.7
61.98718	1.7
68.37048	0.4
68.99729	1.0
71.01272	1.8
73.02850	0.8
78.95809	1.9
85.02846	1.2
93.03374	0.5
96.96876	0.5
101.02369	1.8
104.19580	0.4
113.02373	0.9
115.05472	0.6
117.03382	30.7
118.03713	0.5
119.04946	22.8
120.05285	0.6
121.02898	0.5
143.04971	9.6
145.02890	100.0
146.03250	4.8
161.04491	1.0
163.03960	36.2
164.04292	1.7
187.03984	20.7
188.04294	0.9
191.05553	0.8
259.99796	0.6
315.18134	1.1
383.17136	1.0
393.43060	0.4
503.22992	61.8
504.23331	10.9
505.41299	0.5
516.83246	0.5
547.27319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2332
Annotation	Cycloshizukaol A
Peak:m/z	Relative Intensity
50.69830	1.1
52.73017	1.6
53.76378	1.4
55.01772	1.5
57.03343	2.3
59.01266	82.2
60.01594	2.1
61.98721	16.6
64.98944	1.2
69.03320	2.1
70.86758	4.2
71.01278	20.5
72.99197	2.6
73.02825	5.3
75.00760	3.6
78.95796	1.5
79.95623	1.5
83.01272	2.2
83.04900	2.6
85.02845	11.8
87.00761	5.2
89.02347	10.0
93.03357	16.6
95.01280	3.5
96.95916	37.5
96.96839	2.4
97.02829	2.9
97.06519	2.4
98.95491	12.0
98.96208	2.2
99.00785	7.1
99.01879	2.0
101.02357	10.9
108.02084	2.8
109.02834	2.8
109.06503	2.0
111.00739	1.6
111.04411	4.3
113.02354	12.9
117.03360	4.5
119.03411	2.5
119.04945	13.2
121.02847	2.6
123.04463	1.7
125.02290	2.4
127.06630	2.5
127.07571	27.6
132.02109	2.0
133.02841	3.3
134.03661	7.2
135.04465	8.3
137.02357	5.5
143.04916	1.3
145.02888	11.5
148.68884	1.4
149.04488	1.4
151.03983	1.5
155.03384	2.2
158.44366	1.5
160.01604	9.8
160.33324	1.5
161.02347	5.8
161.04507	3.3
161.05952	1.8
162.02835	1.3
163.03972	13.0
171.06561	5.4
173.04524	20.8
173.05974	1.8
173.48289	1.3
174.04811	2.0
175.03940	12.6
176.04074	1.9
177.01782	1.5
178.02676	2.6
179.03403	6.0
179.05458	1.5
183.01038	2.1
191.05608	36.4
191.07195	3.6
192.05916	4.4
193.05074	6.1
193.06604	2.8
197.02696	2.1
205.08714	4.0
211.07625	1.9
229.01442	1.4
265.18097	2.4
285.04199	2.8
293.09006	1.7
313.18231	4.7
319.08142	2.4
331.19257	32.1
332.19528	4.1
337.09442	2.4
338.09598	2.1
341.18033	1.5
347.18689	19.6
348.19107	3.4
349.20291	46.7
350.20517	5.4
355.14502	1.6
373.20309	5.8
391.21265	3.6
393.17838	1.8
427.19659	10.2
439.14151	1.8
445.20731	3.9
450.04993	2.3
487.18805	4.8
487.32965	6.7
503.19681	5.0
504.19803	2.9
505.19986	3.8
547.23212	100.0
548.24048	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	547.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15494	0.3
59.01265	5.6
59.57587	0.4
60.28593	0.4
61.98714	1.1
68.99708	1.4
69.32071	3.6
71.01270	2.1
71.34909	0.4
73.02836	0.5
73.93760	0.3
78.95798	3.4
83.01285	0.6
85.02851	1.2
93.03359	0.4
96.95917	5.8
96.96875	1.5
101.02348	1.6
113.02370	1.1
115.05476	0.5
117.03380	27.1
118.03731	1.2
119.04942	24.6
120.05265	1.0
121.02832	0.5
133.02866	0.6
134.03664	0.5
135.04448	0.5
141.09140	0.5
142.24649	0.4
143.04955	10.3
144.05307	0.6
145.02888	100.0
146.03207	5.5
147.58586	0.4
161.02405	0.8
161.04544	0.5
163.03955	42.0
164.04315	1.8
171.10182	0.6
187.03978	22.7
188.04292	1.4
191.05592	1.2
211.90149	0.4
315.18152	0.5
503.22983	67.9
504.23364	10.6
508.49924	0.4
547.27026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90971	0.2
55.01764	0.6
57.03338	0.7
59.01267	9.7
60.99177	0.4
61.12908	0.2
61.98703	0.5
67.01772	0.3
69.03353	0.4
71.01274	10.8
71.60562	0.3
72.99200	0.8
73.02837	4.1
75.00751	0.6
80.02563	0.2
81.03341	0.4
83.01275	1.1
85.02847	4.3
87.00772	1.1
88.98714	1.9
89.02341	8.2
93.03352	1.9
95.01283	0.7
95.09122	0.2
96.95914	1.6
97.02867	0.8
97.06470	0.2
99.00786	3.5
99.04423	0.2
101.02353	7.7
104.02586	0.2
105.38094	0.2
105.74017	0.2
108.02111	0.2
108.09747	0.2
109.02884	0.3
111.00790	0.3
111.04427	0.4
113.02368	3.8
115.00263	0.2
115.03923	0.7
116.02563	0.2
117.03384	24.3
118.03719	1.2
119.03461	1.1
119.04948	29.6
120.05282	1.5
121.02887	0.6
125.02344	1.5
127.07609	0.3
131.03461	1.2
132.83466	0.2
133.02913	1.1
134.03630	0.3
135.04463	0.6
137.02356	0.6
139.07581	0.4
143.03452	0.5
145.02893	100.0
146.03227	4.8
149.04515	4.4
152.01163	0.3
155.03430	0.5
159.02959	0.6
159.04344	0.2
161.02425	1.8
161.04507	2.2
163.03961	46.6
164.04329	2.4
167.10835	0.2
173.04524	1.7
175.03972	0.3
177.01880	0.4
177.22868	0.2
179.03499	0.5
179.05574	0.2
179.10739	3.2
181.04980	0.3
191.05586	5.1
191.07155	0.5
192.05920	0.5
208.99544	1.4
223.09772	10.2
224.10083	0.7
236.20937	0.2
237.11404	0.3
243.80652	0.2
247.09839	1.8
251.07642	0.5
255.02980	0.3
265.10846	0.5
269.10361	1.2
277.11121	0.3
284.03256	0.5
285.04163	0.5
288.74075	0.2
293.08560	0.3
309.09839	0.3
327.08768	0.4
329.17389	0.3
331.19199	0.4
333.27728	0.2
337.09009	0.4
354.73618	0.2
383.13568	0.5
385.15085	2.9
386.15527	0.4
401.14679	2.7
402.14755	0.5
415.23489	1.5
439.13483	0.2
485.29089	0.5
511.25613	0.6
547.18390	23.7
547.27655	10.0
548.18701	5.0
548.27917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.6
59.01260	4.1
59.62206	0.3
61.98724	0.6
67.01804	0.3
69.03370	0.5
69.93179	1.9
71.01274	5.2
71.01611	0.4
71.04906	5.0
73.02832	2.2
83.01305	0.5
83.20922	0.3
85.02846	3.1
87.00795	0.7
89.02376	1.4
93.03400	1.2
97.02836	1.9
98.19853	0.4
99.00782	0.9
101.02346	3.2
109.02876	1.0
109.60303	0.3
111.04462	0.4
113.02339	2.0
117.03378	23.1
118.03723	1.0
119.04945	28.0
120.05292	1.5
123.07336	0.5
123.08060	2.5
124.45153	0.3
125.02378	0.6
127.07568	2.2
133.10246	0.5
135.04448	1.5
145.02887	100.0
146.03227	5.1
159.12706	0.5
161.02344	0.9
161.04494	1.2
163.03957	43.6
164.04300	2.2
165.05638	0.4
173.04520	1.1
174.14972	0.3
175.03955	0.4
177.09175	0.3
179.03415	1.0
181.07021	0.5
187.03979	0.4
189.09200	5.5
190.09428	0.7
191.05528	3.2
191.07129	1.3
205.08655	1.5
219.13814	0.6
229.15509	0.3
243.02878	0.4
245.11769	1.1
263.12918	1.7
264.13190	0.4
269.10257	1.2
275.12866	0.6
301.03461	0.3
303.19638	0.5
311.09030	1.5
329.17703	6.5
330.17703	1.4
331.19202	7.9
332.19257	1.0
347.18713	23.6
348.19022	5.1
349.19861	3.7
371.18411	0.8
373.19962	0.6
389.19693	0.6
391.20850	0.7
401.14606	3.0
524.54987	0.4
547.17786	23.7
548.17834	4.2
559.98480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69231	0.7
59.01266	1.6
62.96297	0.9
64.16798	0.7
69.88539	4.1
71.01266	5.0
78.95793	93.0
91.69100	0.6
94.98946	1.1
96.95913	2.8
96.96882	1.2
98.20499	0.9
98.95483	4.2
99.92484	29.2
100.92489	1.4
100.93266	1.1
110.98439	17.4
115.91988	21.0
116.92026	1.4
116.92773	16.3
117.92779	0.8
117.93572	0.9
150.97934	2.0
151.01550	1.5
152.99504	1.8
155.95137	1.1
163.89699	1.3
164.90428	0.7
164.99554	7.3
167.01115	8.4
172.95369	1.5
178.88411	6.9
178.91983	0.7
179.89200	27.1
180.90027	18.2
181.58022	0.7
181.90868	4.5
185.02171	0.8
193.90767	43.6
194.87912	1.1
194.91586	16.4
195.91927	1.1
196.89479	100.0
197.89528	5.6
206.91528	0.8
210.91032	8.0
212.88986	0.8
218.91568	0.8
226.90454	0.9
235.91925	1.9
236.92632	2.8
248.92566	3.6
249.93481	4.1
250.94212	4.5
252.92072	3.1
265.92831	1.2
266.93732	5.7
267.94504	3.9
277.21786	0.9
279.23361	8.6
279.89474	0.6
379.15628	1.6
379.28638	1.6
439.57321	0.6
442.11038	0.8
456.13846	1.0
499.15891	1.6
529.09180	1.4
529.16742	17.5
530.16827	3.5
531.14941	0.9
543.14636	6.5
544.15027	1.0
547.17828	96.4
548.18024	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43338	0.1
59.01265	1.5
61.98720	0.4
64.73933	0.1
69.30285	0.3
69.30696	0.6
71.01270	0.4
72.99182	0.1
73.02832	0.2
77.03871	0.2
78.95776	0.1
81.68100	0.1
85.02849	0.3
85.37234	0.1
89.02333	0.2
93.03345	0.3
97.02842	0.1
99.00806	0.1
101.02336	0.3
113.02341	0.4
121.02872	100.0
122.02319	0.2
122.03203	3.8
137.02393	0.1
160.01613	0.4
161.02388	0.2
175.03969	0.4
191.05557	0.2
193.04987	0.2
200.06310	0.1
383.13464	1.3
425.14899	0.2
479.26300	0.2
487.33093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	0.9
55.60380	0.5
56.56451	0.5
57.03339	0.5
59.01273	4.3
69.03355	1.0
69.62031	4.0
71.01289	3.6
72.99196	1.9
73.02842	18.0
83.01278	0.9
85.02859	4.1
87.00780	1.0
88.98694	0.7
93.03372	3.4
95.01298	1.1
96.95928	1.5
96.96868	0.6
99.00797	1.3
99.04365	0.6
101.02327	1.4
108.02084	54.4
109.02899	11.0
111.00778	0.7
113.02357	2.6
117.05483	8.5
119.04984	1.1
121.02886	0.9
123.00826	1.0
123.04568	0.5
125.02379	0.9
133.02902	1.1
134.03728	0.9
135.04440	2.3
137.02353	1.0
145.02916	0.8
151.03923	1.4
152.01102	100.0
153.01639	5.5
161.04535	0.7
163.03979	3.9
165.01907	0.9
168.09430	0.6
173.04501	2.1
175.03883	0.7
177.01950	1.1
179.03438	1.7
191.05588	10.5
195.06628	0.7
207.03001	0.8
211.07616	0.6
297.06155	0.8
315.07257	1.0
323.62250	0.7
327.08713	0.7
337.09509	1.2
341.12061	0.6
429.04987	1.1
429.10474	16.9
430.10739	1.8
447.11716	3.2
469.73285	0.6
489.12918	0.9
503.14093	5.2
504.14691	1.1
529.15613	3.4
547.16815	83.9
548.17078	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	547.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05545	0.5
55.33222	0.4
56.12804	0.4
59.01269	3.4
61.98708	1.8
68.03795	0.5
69.03346	1.3
69.92126	2.4
71.01262	1.4
72.99198	1.0
73.02830	0.4
75.00775	0.5
81.03351	0.6
82.95321	0.8
85.02840	2.6
87.00781	0.8
87.67276	0.5
89.02308	0.5
93.03353	2.1
94.97986	1.3
95.01287	1.8
96.95904	6.5
97.02847	1.1
101.02320	0.8
101.05980	4.6
103.45264	0.5
108.02074	1.2
109.02829	1.3
111.04398	0.6
113.02361	0.6
121.02850	1.0
123.00790	10.8
124.01584	28.9
125.02377	20.7
133.02872	1.7
134.03699	0.6
135.04433	6.2
137.02373	1.3
143.07115	0.8
149.02402	1.1
149.99527	46.0
151.00288	3.0
151.03940	1.2
151.73586	0.5
152.01073	2.3
153.01634	0.5
156.93529	0.4
161.02379	5.5
162.02890	0.5
163.03934	0.6
165.01912	0.6
166.99809	0.7
167.03455	1.7
168.00591	97.9
169.01089	7.1
173.04549	3.1
175.03856	0.9
177.01933	0.6
179.03444	3.8
179.98814	3.4
180.99596	1.7
191.05579	20.1
192.05858	0.7
193.01402	1.5
195.01193	5.7
196.01834	0.8
205.01372	0.5
210.03535	2.6
211.04294	0.9
237.06239	0.4
247.04752	0.5
331.06726	3.1
353.08810	2.8
355.08414	2.5
356.08475	0.5
373.09659	6.5
385.07654	0.7
448.11908	1.1
529.15143	0.8
532.13666	0.6
546.40112	0.5
547.16754	100.0
548.17053	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71139	0.8
57.03341	1.3
59.01262	8.7
59.20333	0.6
60.99227	0.8
67.01767	2.3
68.47253	0.8
68.99708	0.8
69.03347	0.8
69.59542	5.5
71.01276	3.9
72.99192	9.0
73.02828	1.5
81.03360	2.1
83.04900	2.3
85.02844	9.4
87.00771	4.2
89.02340	1.5
93.03364	24.4
94.03699	1.6
95.01283	1.6
95.04922	3.7
96.95910	2.1
98.19887	1.2
101.02378	0.8
105.03371	3.2
107.04945	1.8
109.02869	6.7
111.04430	6.1
113.02402	0.9
121.02865	11.3
122.03622	0.8
123.00823	3.6
123.04456	10.6
124.01557	1.5
125.02390	1.5
127.03929	2.2
128.03459	1.1
133.02893	8.8
134.03729	3.4
135.04451	57.8
136.04825	3.3
137.02388	17.2
139.03937	12.7
141.99753	0.8
145.03011	0.8
148.01584	1.1
149.02370	17.3
150.02988	1.1
151.03987	4.2
153.01845	0.7
155.03450	6.4
159.04550	0.9
161.02400	16.3
164.01129	1.4
165.01881	7.2
166.02707	0.7
167.02309	1.0
167.03464	10.4
173.04515	36.1
174.04877	1.5
175.00241	1.3
177.01878	6.1
179.03459	41.0
180.03792	3.0
191.05585	100.0
192.00539	1.2
192.05917	6.0
193.01402	39.9
194.01859	1.6
195.02972	3.2
211.02505	5.3
247.04599	7.6
335.07840	10.8
349.05774	1.6
351.07260	2.5
353.08868	29.3
353.13171	1.4
354.09131	2.7
355.07455	1.2
367.06763	6.2
369.08289	2.1
385.07529	7.0
385.12042	1.4
529.09857	1.5
547.10474	3.4
548.12091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99094	0.3
57.03339	0.5
59.01263	1.6
59.32967	0.3
60.99196	0.3
61.88200	0.3
65.03860	0.7
67.01781	1.4
69.03354	0.6
70.36038	1.0
70.36393	0.4
71.01263	1.5
72.99199	8.3
73.02810	0.3
77.03883	0.5
79.05492	0.3
81.03340	1.6
82.26571	0.3
83.01299	0.4
83.04948	0.7
85.02844	6.1
87.00767	3.5
93.03360	15.5
94.03693	0.7
95.01295	0.6
95.04938	2.2
96.32999	0.3
96.95916	0.9
97.02880	0.5
99.00783	0.4
99.04465	0.4
105.03378	2.3
107.04945	1.1
108.02108	0.5
109.02872	4.6
111.00812	0.9
111.04439	3.4
121.02863	7.1
121.03679	0.5
121.51545	0.3
123.00819	2.7
123.04443	9.9
124.01575	1.1
124.04767	0.7
125.02354	1.1
127.03973	1.6
129.01846	0.4
133.02888	4.0
134.03661	3.3
135.04453	39.6
136.01563	0.7
136.04819	1.4
137.02373	10.3
138.02867	0.6
139.03946	10.1
140.04282	0.6
147.00815	0.5
148.01593	0.9
149.02388	12.2
149.03584	0.6
149.40749	0.3
150.02861	0.9
151.00281	0.4
151.03940	3.4
153.01895	0.5
155.03433	2.7
161.02380	6.4
162.02774	0.5
164.01073	0.7
165.01886	4.7
166.02260	0.4
167.03462	9.7
167.04883	0.5
168.03764	0.5
169.47377	0.3
171.02914	0.7
173.04512	17.9
174.04826	1.1
175.00356	0.8
177.01903	3.8
178.02527	0.5
179.03465	38.8
180.03845	1.8
191.05588	100.0
192.00574	1.3
192.05910	4.8
193.01399	29.7
194.01785	1.7
195.03029	2.7
207.96660	0.4
211.02432	3.2
211.06007	0.3
231.05154	0.4
247.04613	6.9
302.49786	0.3
313.09311	1.1
335.07681	2.7
336.08191	0.5
341.08716	1.2
349.05646	1.1
351.07300	1.8
353.08856	28.9
354.09335	2.8
362.36679	0.3
367.06793	8.1
368.07184	1.6
369.08441	2.9
370.08969	0.5
373.09729	0.3
385.02966	0.6
385.07834	9.7
385.12665	0.5
386.08344	0.8
409.07776	0.5
529.09924	1.6
547.11066	3.3
548.10883	0.3
553.87671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06126	0.9
54.82672	1.0
57.03330	2.3
58.00481	2.7
59.01265	56.6
61.98698	1.9
69.03333	1.9
69.80337	0.9
71.01270	41.9
71.56792	0.9
71.57234	1.5
72.99215	2.0
73.02849	1.5
78.95799	7.7
83.01271	1.6
85.02832	6.3
87.00769	2.0
88.44917	0.9
89.02339	49.0
95.01299	2.4
96.95907	2.0
99.04434	1.5
101.02346	17.8
113.02355	14.7
119.03423	25.6
127.11237	5.5
131.03415	1.9
134.57510	0.9
143.03456	4.5
145.02876	1.5
149.04521	2.4
149.13324	5.8
152.99452	4.5
153.12744	1.5
161.04520	3.7
169.12296	100.0
170.12648	5.7
179.05577	17.1
192.98665	1.2
195.13826	1.1
213.14957	8.4
276.66898	0.9
340.32117	1.1
349.18799	11.7
350.19171	1.8
397.26514	1.1
513.60211	1.1
545.16125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.03190	0.6
57.03440	0.8
58.00323	0.6
59.01065	5.0
59.01404	9.6
60.39159	0.4
61.98513	1.1
61.98862	1.9
71.00990	1.3
71.01431	3.5
71.04697	0.4
71.05045	1.0
72.98949	0.5
72.99312	0.6
73.02997	1.6
75.00930	1.3
81.03466	0.5
83.01380	0.4
83.05049	0.8
85.02467	0.9
85.03024	3.8
87.00946	2.3
89.02534	1.8
93.03545	2.9
95.01422	0.9
95.05046	0.5
96.96095	1.9
96.97055	0.5
97.03040	0.7
98.20567	1.1
98.90877	0.5
99.00917	1.0
99.04630	0.4
101.02558	2.3
109.03018	0.7
110.11201	0.4
111.04557	0.6
113.02556	3.1
117.03513	0.4
119.03602	1.0
119.05154	1.8
123.08274	0.9
134.03801	0.5
134.07475	0.5
135.04552	0.8
137.02480	0.8
145.03085	1.3
147.08267	0.5
149.04660	0.8
155.03658	0.5
160.01755	0.6
161.04689	1.3
163.04149	1.6
173.04498	4.7
174.04962	0.5
178.02882	0.5
179.03641	0.5
179.05760	0.7
189.09431	0.8
191.05591	11.1
193.05135	0.9
197.02335	0.8
201.13043	1.4
214.06371	0.6
217.15987	13.7
218.16527	1.4
259.20728	3.2
261.15079	0.7
265.12430	0.5
269.04764	0.4
285.04205	0.6
303.19711	19.1
304.20114	2.9
327.15964	0.6
329.17636	2.4
347.18707	100.0
348.19049	12.3
353.13943	2.5
369.11069	0.5
371.14862	0.8
371.18872	1.1
389.19803	0.9
413.44278	0.5
501.24838	1.3
502.25424	0.6
529.86414	0.4
545.21350	16.8
546.22028	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	545.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33618	0.2
55.01777	1.5
57.03339	3.8
58.00480	2.2
59.01267	100.0
60.01615	1.2
61.98715	0.3
68.99693	0.3
69.03345	0.9
69.79588	0.7
69.79993	0.6
71.01273	48.6
71.10318	0.2
72.01612	0.7
72.99197	2.6
73.02838	8.1
75.00764	0.7
81.03357	0.4
83.01279	6.4
83.04938	0.4
84.27325	0.2
85.02847	16.5
85.99998	0.8
86.03181	0.4
87.00777	6.0
88.98721	0.4
89.02342	35.5
90.02678	0.6
93.03362	1.7
95.01303	2.0
96.95880	0.3
97.02858	2.0
99.00788	4.0
101.02349	20.8
102.02671	0.5
104.51858	0.2
108.02085	0.8
109.02900	0.6
111.00790	0.9
111.04448	0.7
112.01551	1.5
113.02362	17.9
114.02694	0.5
119.03426	2.3
119.04946	0.4
123.04465	0.3
123.08099	0.6
125.02363	4.2
127.03944	0.5
129.01875	0.6
131.03430	14.3
132.03793	0.6
133.02885	0.4
135.04417	0.4
137.02364	0.6
137.09648	1.1
143.03435	2.5
145.02896	0.3
149.04495	8.4
149.05649	0.5
149.09665	0.3
152.01115	0.9
155.03401	0.5
159.02942	1.5
161.04512	6.5
165.12761	0.4
166.05042	0.3
167.03485	0.3
173.04530	1.5
177.01881	0.4
179.03426	0.4
179.05707	0.3
191.05589	16.5
191.14458	0.3
192.05888	1.0
209.15463	7.6
210.15909	0.5
224.36658	0.2
233.06656	2.0
263.16577	0.4
285.04150	0.4
305.17670	3.2
311.13092	0.6
323.18674	0.5
327.16037	0.4
335.18610	0.4
347.18674	0.3
353.14517	0.6
353.19778	9.2
354.20084	1.1
371.15823	0.4
371.20831	8.7
372.21204	0.9
395.20984	1.1
413.21918	4.5
414.22272	0.7
485.24072	1.5
503.25113	70.6
504.25494	10.8
504.31323	0.2
509.23944	0.5
545.26178	40.9
546.26526	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	545.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54284	0.3
57.03323	0.6
59.01268	3.8
61.98711	1.8
61.99431	0.3
67.40338	0.3
69.53183	1.4
69.53613	1.3
71.01272	1.2
71.04909	17.9
72.05234	0.4
75.01537	0.3
83.04906	0.4
83.22784	0.3
85.02861	1.6
87.00771	0.4
89.02347	0.6
89.26177	0.3
93.03333	1.5
96.95922	0.5
97.02850	4.4
98.19804	0.7
98.56462	0.3
101.02341	0.6
107.04926	0.6
109.02881	1.7
111.04399	0.7
117.03379	0.3
119.04929	1.3
121.02857	0.6
121.06532	0.6
123.08073	9.8
124.08413	0.4
125.02342	0.3
125.09639	0.4
127.07562	7.3
133.02863	2.6
133.10156	1.8
134.03641	1.0
135.04480	2.8
137.02383	0.9
145.02896	0.8
145.10123	0.6
155.03448	0.5
161.02386	7.5
161.09689	0.9
162.02739	0.6
163.03944	1.4
165.05513	0.3
173.04489	2.5
175.03877	0.5
175.07628	0.5
177.01929	0.3
177.07729	0.4
177.09061	1.6
177.12787	0.4
179.03490	2.2
179.10657	0.5
180.03806	0.4
189.09183	19.7
190.09464	1.2
191.05556	3.9
191.07144	2.9
193.05005	0.8
194.05437	0.5
201.12852	0.9
203.07066	0.4
205.08691	3.2
217.15956	1.5
219.13893	3.5
220.14017	0.4
221.08069	0.5
229.01402	0.5
231.13879	1.3
243.17519	0.5
245.11845	3.6
248.55757	0.3
251.15211	0.3
259.20782	0.6
261.14914	0.7
263.12930	7.3
264.13181	0.5
267.07007	0.4
275.12955	3.6
285.18524	0.7
300.02863	0.4
301.03604	0.6
303.19705	3.9
304.19986	0.4
319.08295	0.5
329.17633	16.1
330.18008	2.0
337.09418	0.5
347.18695	100.0
348.14749	0.6
348.19034	12.0
349.08990	0.3
350.09827	0.4
351.09778	0.4
353.08823	0.7
365.08994	0.5
545.21802	6.4
546.22064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.8
59.01263	10.5
61.98726	3.9
69.03345	1.1
71.01270	5.5
71.04910	16.4
71.58294	0.8
71.58681	1.0
75.00748	2.2
78.95791	1.7
82.14830	0.7
83.04935	1.0
85.02846	5.3
87.00774	3.6
89.02348	2.2
93.03362	5.2
96.95915	24.4
96.96836	1.4
97.02850	2.8
99.00790	0.9
101.02368	0.9
109.02879	1.9
113.02377	3.5
119.04939	3.8
123.08072	9.2
127.07546	6.8
133.10110	1.0
134.03624	1.5
145.02940	1.0
155.03416	1.3
163.03944	4.5
173.04530	5.4
177.09128	0.9
189.09189	14.6
191.05591	27.5
191.07147	3.7
192.05907	1.8
193.05086	2.1
205.08656	3.4
215.07172	1.0
217.16022	1.4
219.04953	0.9
219.13905	3.2
225.09088	1.0
227.03618	0.8
231.13884	1.8
245.11858	3.7
249.06178	1.0
255.14127	0.9
259.20721	1.4
263.12936	6.5
267.07269	2.9
275.12885	1.8
276.13055	0.9
283.13477	1.0
285.04099	2.0
285.18524	0.9
303.19672	3.5
309.11597	0.8
309.15036	1.7
319.08514	0.9
327.12436	1.0
327.15997	1.9
329.17645	24.8
330.17877	1.9
337.09409	1.8
347.18716	100.0
348.19016	13.4
353.14020	6.0
354.14154	0.9
371.15012	3.4
371.18787	2.5
389.19699	3.2
544.76068	1.0
545.21704	10.3
546.21619	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	545.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.8
59.01269	17.7
60.40859	0.5
61.98717	3.0
67.01814	0.6
67.66051	0.4
69.03310	0.6
69.57925	2.1
69.58349	2.3
71.01273	5.2
71.04921	1.3
72.99211	0.8
73.02839	1.3
75.00769	2.0
83.01269	0.9
83.04920	1.0
85.02849	5.9
86.08731	0.5
87.00777	3.6
89.02337	2.9
93.03371	5.9
95.01310	0.8
96.95903	2.8
97.02859	0.6
99.00786	1.8
101.02344	3.7
103.03886	0.8
109.02872	0.6
111.04438	1.3
113.02348	3.4
119.03409	0.7
119.04937	2.2
121.02781	0.6
123.08083	1.0
127.30411	0.6
131.03453	0.6
134.03677	1.2
135.04448	1.2
137.02415	0.8
145.02887	1.5
149.09770	0.6
161.02382	0.6
161.04492	0.9
162.65408	0.5
163.03929	1.2
173.04530	4.0
187.07712	0.7
189.09164	1.3
191.05588	15.9
193.05013	1.3
201.12921	0.8
204.81343	0.6
211.87006	0.6
213.14810	0.7
214.06476	0.6
217.15977	15.9
218.16328	1.4
224.45671	0.6
225.09319	0.6
259.20667	3.2
260.21072	0.7
295.09753	0.6
303.19742	21.9
304.20074	2.1
311.12903	0.8
329.17734	2.4
347.18716	100.0
348.19058	12.8
348.71222	0.6
353.13995	2.1
369.10919	0.7
371.14999	1.4
371.18973	0.8
389.19696	0.6
429.27271	0.6
501.25430	1.3
545.21350	15.4
546.21832	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	545.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
55.16868	0.4
57.03333	0.8
59.01261	8.8
60.34357	0.4
61.98713	1.2
65.10494	0.4
67.01777	0.8
69.03337	1.0
69.53876	0.4
71.01268	5.6
72.99198	1.6
73.02842	1.5
75.00774	0.7
78.95804	0.9
81.03347	0.5
83.01281	1.0
83.04915	1.0
85.02838	6.7
87.00780	4.1
88.98624	0.4
89.02352	2.8
93.03356	6.5
95.01307	1.3
96.95904	1.4
97.02832	0.7
97.06499	1.6
98.19730	1.2
99.00787	1.7
101.02349	2.2
107.05006	0.5
108.02077	46.7
109.02911	9.0
111.00756	0.7
111.04448	1.3
113.02355	4.3
115.00271	0.4
115.07564	15.7
116.07848	0.6
117.03350	0.9
119.03444	0.5
119.04934	1.8
121.02869	0.7
123.00728	0.8
123.04469	0.6
125.02367	0.9
127.03956	1.0
131.03416	1.2
133.02846	1.0
134.03667	1.4
135.04475	1.9
137.02367	0.8
145.02890	1.4
149.04559	0.6
149.05986	0.5
151.03955	1.0
152.01093	94.0
153.01616	5.1
155.03407	1.0
161.02402	1.0
161.04456	0.6
163.03975	4.8
173.04504	5.6
175.04106	0.8
177.01909	1.5
179.03445	1.4
183.43695	0.5
191.05580	22.7
192.05878	1.6
193.04993	1.1
193.15958	1.5
201.03734	0.4
207.02896	0.7
211.07692	0.6
219.05077	1.0
220.05544	0.9
225.09105	0.7
227.03520	0.8
229.66861	0.5
233.06493	0.4
237.14966	2.7
240.07768	0.4
254.09486	0.6
255.02983	1.3
283.13419	1.5
284.03430	0.9
285.04047	1.7
297.06210	0.5
301.03937	0.5
309.14975	0.7
311.12927	1.8
315.07230	0.6
327.16135	1.2
343.10800	0.8
347.18546	3.2
353.14026	2.8
371.15225	2.2
429.10419	11.2
430.10623	1.4
447.11752	2.9
478.71863	0.6
479.22211	1.3
511.80997	0.5
544.24799	0.8
544.75659	6.7
545.18835	100.0
545.75885	1.1
546.11267	0.9
546.19263	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	545.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62794	0.4
54.08784	0.3
55.01771	0.7
58.17369	0.3
59.01271	1.2
61.33734	0.4
61.98724	2.1
69.03357	0.5
69.29678	1.4
69.30105	2.1
71.01270	3.1
72.99190	0.9
73.02840	0.8
74.69138	0.4
81.03351	0.6
81.78972	0.4
83.01277	0.5
85.02835	2.7
87.00751	0.6
89.02380	0.4
90.94363	0.3
93.03389	0.6
95.01301	0.6
96.95944	0.5
97.02855	0.7
99.00774	0.5
101.02378	1.0
108.02081	58.0
109.02918	8.7
111.00758	0.4
113.02367	1.5
115.07570	17.1
116.07895	0.6
119.04935	0.8
121.02831	0.9
123.00808	0.5
123.04406	0.4
130.49968	0.3
133.02881	0.9
134.03708	0.5
135.04448	1.3
145.02898	0.5
151.03961	0.6
152.01103	100.0
153.01604	4.6
161.02353	1.5
161.04546	0.5
163.03952	3.7
173.04503	0.8
177.01863	0.5
179.03471	1.0
191.05630	2.2
207.02928	0.8
210.83893	0.5
256.67706	0.4
297.06262	0.6
306.80579	0.4
315.07309	1.0
319.08350	0.6
337.09445	0.5
347.18680	0.9
429.10489	10.1
430.10767	1.1
447.11594	2.4
545.18878	92.5
546.19238	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	545.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91187	0.4
57.03336	1.7
59.01264	4.5
60.99167	0.5
62.02111	0.4
67.01768	1.6
68.55173	0.4
69.03365	0.5
69.62898	2.8
71.01276	3.7
72.99197	0.5
73.02839	1.3
75.70555	0.4
78.95763	0.4
81.03362	0.5
83.01302	0.6
83.04949	0.6
85.02842	12.3
87.00771	4.5
87.77776	0.4
89.02348	0.9
91.01787	1.2
93.03360	11.4
94.03642	0.5
95.01286	0.6
95.48085	0.4
96.95888	0.5
98.20551	0.4
99.00788	0.6
99.04396	0.8
99.12943	0.4
101.02358	1.8
105.03378	0.5
108.02081	1.4
109.02866	11.1
111.00805	0.6
111.04424	2.5
113.02351	1.3
121.02879	2.1
123.04450	1.8
124.01568	0.5
125.02378	0.7
127.03932	2.7
129.03365	0.9
133.02936	2.1
134.03665	0.6
135.04453	3.7
137.02414	2.7
139.03952	1.0
145.02853	1.6
146.03685	8.0
147.04463	6.3
149.02371	2.7
150.03131	0.5
151.03955	0.8
155.03474	1.1
157.02946	0.6
158.03674	6.3
159.04471	5.5
161.02368	1.6
161.04543	1.0
161.06055	1.3
163.00348	1.1
163.03911	0.7
165.01886	1.8
167.03461	0.6
171.02910	0.7
173.02510	0.5
173.02962	0.6
173.04515	5.1
173.06038	2.5
177.01901	1.5
179.03487	3.3
180.03650	0.6
185.02359	0.6
190.99907	2.2
191.05585	93.8
191.47340	0.4
192.00659	1.8
192.05952	4.0
193.01445	1.2
195.01143	0.4
195.02890	0.8
201.01828	0.8
209.00854	0.7
209.06117	0.8
210.06572	0.5
223.04025	0.6
224.04855	0.4
229.01437	12.9
230.01767	0.6
237.05612	1.5
238.06366	1.7
239.03629	0.6
239.07033	0.5
240.04317	1.0
248.04799	0.7
249.05690	3.2
250.06381	1.7
251.03461	0.5
251.07048	0.7
252.04230	1.0
265.05084	6.7
266.05869	19.4
267.06589	10.9
268.07388	4.1
269.10440	0.8
276.04233	2.0
277.05075	4.6
278.05652	0.7
281.05365	0.3
281.08258	8.7
283.09833	7.5
284.10165	1.1
293.04608	7.0
294.05374	13.2
295.05969	1.3
299.09256	0.5
308.06863	0.6
309.07764	11.5
310.08148	0.9
325.07312	0.7
327.08792	3.9
328.09119	0.5
337.03534	0.5
338.04361	1.1
339.05130	0.5
349.05594	0.7
351.07257	0.5
353.06717	100.0
354.07022	11.1
371.07864	2.2
379.53488	0.5
383.06201	0.8
401.14603	5.0
402.14728	0.8
423.09879	0.5
443.15698	1.2
479.18552	0.5
501.14032	3.4
544.24799	1.4
545.13086	54.1
546.13440	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	545.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45233	0.3
56.29663	0.3
59.01263	3.2
60.99183	0.4
61.22170	0.3
67.01790	0.9
69.03349	0.9
71.00918	0.4
71.01270	2.2
71.57046	0.4
72.99210	0.7
73.02850	0.8
75.00766	0.4
78.95795	0.7
81.03340	0.8
83.04902	0.6
85.02843	10.4
87.00783	3.2
89.02338	0.6
91.01816	0.5
93.03357	7.0
96.95892	0.9
99.00713	0.5
99.04414	0.7
101.02415	0.7
108.02081	2.5
109.02866	7.0
111.04440	1.5
113.02356	0.9
115.03944	0.7
119.04961	0.6
121.02871	1.6
123.00819	1.0
123.04427	1.5
124.01573	1.4
125.02388	0.5
127.03964	2.1
128.03470	0.9
133.02896	1.6
134.03638	0.5
135.04456	3.4
137.02380	2.0
139.03947	0.7
145.02899	1.2
146.03654	4.5
147.04446	2.9
149.02362	1.7
150.03018	0.4
151.00288	0.5
151.03903	0.6
152.01131	3.2
153.01819	0.8
155.03432	0.6
157.02899	0.8
158.03638	2.7
159.04442	2.2
161.02382	1.8
161.04517	0.3
161.06012	0.8
163.00328	1.1
163.03955	0.7
164.01230	0.4
164.04662	1.8
165.01924	1.2
165.05463	0.4
168.00592	5.5
171.02951	0.9
173.04514	3.5
173.06033	0.9
175.03964	0.5
177.01866	1.2
179.03439	1.9
179.07095	1.3
185.02411	0.8
190.99854	1.6
191.05580	70.8
192.00650	1.2
192.05919	4.0
193.01364	0.7
195.02913	0.6
201.01976	0.6
203.03554	0.4
209.00845	0.5
209.06053	1.4
210.06631	0.6
213.02014	0.6
221.06226	0.6
223.04016	0.7
224.04826	0.8
229.01416	11.4
230.01744	0.8
237.05659	1.7
238.06262	2.1
239.03503	0.7
240.04298	1.3
248.04825	1.5
249.05635	3.7
250.06335	2.2
251.07095	0.5
252.04295	2.0
265.05109	9.7
266.05878	30.4
267.06586	9.2
268.07233	2.1
269.04529	0.6
276.04330	1.6
277.05038	3.1
278.05728	0.7
281.08258	14.9
282.08609	1.5
283.09860	3.4
293.04605	6.0
294.05392	13.0
295.05682	1.4
299.09219	1.0
308.06854	1.1
309.07745	13.1
310.04837	0.8
310.08176	1.6
321.03775	0.5
325.07303	0.6
327.08759	2.4
338.04297	2.1
339.05051	1.1
340.04730	0.4
353.06714	100.0
354.07056	13.0
367.06842	0.7
371.07620	1.1
383.06076	0.6
429.10287	1.1
501.13718	1.1
527.12756	0.5
545.13281	18.8
546.13910	3.7
546.21967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26259	0.6
52.62041	0.6
55.01774	1.5
57.03333	2.4
58.00488	1.7
59.01265	100.0
61.98718	5.2
67.72671	0.6
69.03333	0.9
69.28236	5.2
69.28638	1.3
71.01271	27.7
71.04918	0.6
71.98112	0.6
72.01603	0.8
72.98538	0.6
72.99206	1.5
73.02837	8.0
75.00793	0.6
81.03362	0.6
83.01299	3.1
83.04952	0.9
85.02840	13.4
87.00784	4.0
87.04420	6.5
89.02338	12.9
89.02840	1.0
93.03374	2.7
95.01282	3.2
96.95880	0.8
97.02867	1.5
99.00792	3.2
99.04433	1.3
101.02351	19.4
101.05984	6.4
111.00822	1.7
112.52101	0.6
113.02358	22.8
114.02692	0.7
117.03391	1.6
119.03418	6.0
119.04936	0.8
125.02386	2.7
131.03403	0.7
133.02911	2.2
135.04478	0.8
143.03458	3.6
145.02861	3.0
146.03339	0.7
149.04674	0.8
159.03061	0.8
160.01764	0.9
161.02443	3.4
161.04497	7.8
163.04007	1.4
173.04572	2.4
179.03337	0.8
179.05605	3.3
187.04056	0.9
191.05582	6.9
193.05124	1.2
215.18036	0.7
223.29083	0.7
248.99286	0.6
284.98294	0.7
339.05429	0.9
339.25439	5.8
369.22919	1.4
395.24472	4.9
396.25201	0.8
397.20776	1.4
413.25607	1.7
414.25583	0.7
435.27777	0.7
439.32401	2.2
440.32574	0.9
447.27728	0.7
465.29007	2.3
483.29736	37.8
484.30093	5.7
501.30838	26.4
502.30988	3.5
505.82465	0.8
543.29767	1.5
544.19702	1.0
545.06866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33760	0.1
55.01773	0.5
57.03340	3.8
58.00480	0.8
59.01265	100.0
60.01609	0.8
61.98715	1.2
62.92969	0.1
67.26973	0.1
69.03336	0.9
69.61536	1.0
71.01270	26.8
72.01608	0.5
72.99207	1.4
73.02836	18.8
74.03195	0.2
75.00778	0.4
81.03347	0.4
83.01279	5.2
85.02843	5.7
86.03230	0.2
87.00773	1.4
87.04419	0.9
89.02338	18.0
95.01292	1.8
96.95921	1.0
97.02861	0.5
98.20502	0.2
99.00812	1.0
99.04424	4.1
101.02348	20.9
102.02679	0.5
107.03338	0.2
113.02357	18.8
114.02702	0.6
119.03420	7.0
120.03740	0.3
121.02884	2.2
125.02367	2.0
131.03423	2.0
132.02097	0.2
133.02907	0.2
134.03625	0.2
135.04408	0.3
143.03438	3.4
149.04486	2.1
152.01100	0.2
155.03429	0.4
160.01607	0.6
161.02354	0.5
161.04504	8.4
162.04758	0.3
169.12227	0.3
173.04492	0.5
175.03967	0.6
179.05569	8.4
180.05896	0.2
180.82333	0.1
188.91862	0.2
191.05562	1.0
193.04970	0.2
201.11327	0.2
203.05519	0.3
221.06654	0.3
339.25299	0.7
372.17566	0.2
396.69724	0.2
397.20239	0.4
399.23975	0.4
441.24826	0.3
483.29706	2.5
484.29947	0.4
497.27618	1.5
498.27725	0.2
501.30862	2.2
502.30939	0.4
543.28180	1.6
544.28845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01582	0.9
66.14077	0.7
71.58350	0.9
71.58826	0.8
78.95789	0.9
123.39561	0.7
136.55492	0.7
142.08432	0.8
300.33182	0.8
316.08536	0.7
474.00812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.2
56.24015	0.3
57.03338	3.0
58.00495	1.5
59.01264	100.0
60.01604	1.1
60.08817	0.3
69.03349	1.2
69.36137	2.6
71.01270	28.2
71.04911	0.4
72.01608	0.4
72.99212	1.4
73.02836	11.4
74.12261	0.3
75.00760	0.4
83.01277	4.9
84.02057	0.3
85.02841	10.1
85.84042	0.3
85.99993	0.7
87.00774	3.1
87.04414	6.6
89.02337	11.3
93.03378	0.3
95.01287	2.6
95.04926	0.5
97.02869	1.0
99.00774	3.5
99.04427	1.1
101.02346	19.5
102.02716	0.5
111.00798	2.0
112.01547	0.4
113.02354	14.5
119.03427	3.8
125.02361	1.9
125.09638	0.3
131.03441	0.5
133.88846	0.3
139.07582	0.5
143.03433	2.4
155.07104	0.3
159.02965	0.8
161.02426	0.5
161.04495	7.0
161.05833	0.3
163.14877	0.4
179.05585	1.3
179.10730	0.4
183.71317	0.3
191.05655	0.7
191.14551	0.3
197.11795	2.1
199.14938	0.4
201.11327	0.3
207.17516	0.4
209.11824	1.1
215.18030	0.5
217.15907	0.5
231.08546	0.3
241.10703	0.4
249.09772	0.3
259.81055	0.2
264.04568	0.3
267.19681	0.3
285.54510	0.3
293.21222	0.3
321.24350	0.6
339.25464	3.3
340.25723	0.3
369.22885	4.4
370.23132	1.0
395.24435	7.3
396.24774	0.9
413.25519	1.9
447.27618	0.6
451.62769	0.3
465.28677	2.0
469.32529	0.3
483.29718	36.9
484.30084	6.8
499.25223	0.7
501.30783	27.4
502.31158	4.6
525.26978	1.2
543.32465	2.9
544.32153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32237	0.6
53.37411	0.6
55.86301	0.7
57.03327	1.0
58.00492	1.5
59.01268	51.3
60.01598	1.0
61.98727	5.6
63.92500	0.8
69.03349	1.5
70.18298	3.7
71.01276	29.2
72.99174	2.4
73.02452	1.2
73.02843	20.6
78.95786	1.8
83.01281	6.8
85.02852	6.9
87.00764	3.6
89.02352	9.6
95.01258	1.5
96.95931	1.5
99.00780	1.8
101.02353	19.7
113.02352	8.4
119.03422	3.4
125.02309	1.0
133.02873	1.0
137.39934	0.7
139.00471	0.7
143.03516	1.0
146.12907	0.8
173.04520	1.3
191.05521	1.4
223.17070	4.0
237.60614	0.8
249.35730	0.8
253.67471	0.8
277.21777	12.7
278.22113	1.7
295.22824	6.1
439.27237	9.7
440.27176	2.2
457.28244	24.1
458.28540	3.9
499.29266	100.0
500.29739	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	543.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36388	0.4
55.01770	1.1
56.88371	0.4
57.03338	47.6
58.00480	0.7
58.03656	0.7
59.01264	100.0
60.01607	1.6
65.04497	0.4
69.03331	1.1
71.01270	23.3
71.15145	1.0
72.01601	0.5
72.99210	1.2
73.02835	7.4
81.03356	1.6
82.79401	0.4
83.01279	4.4
83.04926	1.3
84.02103	0.5
85.02843	9.2
87.00773	2.5
87.04417	3.2
89.02340	7.9
93.03353	1.1
95.01302	2.4
95.04964	0.5
97.02923	1.1
99.00777	2.7
99.04420	42.8
100.04777	1.0
101.02348	25.7
102.02735	0.6
111.00806	1.3
112.01598	0.6
113.02351	12.0
119.03415	2.9
125.02368	16.5
125.09690	1.0
138.84033	0.4
143.03421	2.9
147.00919	0.5
148.05241	1.0
149.02440	0.7
149.04518	0.4
161.02438	1.1
161.04494	5.6
161.09744	0.8
163.04095	0.7
163.07620	1.1
173.04567	0.9
178.98201	0.5
179.05669	1.4
179.10786	1.3
189.01895	0.8
191.05679	0.7
197.11823	6.7
201.11401	1.8
204.54965	0.5
209.11871	2.8
215.18098	0.5
217.01466	1.2
241.10883	1.0
315.14621	0.6
339.21771	0.7
339.25662	2.0
352.77603	0.5
369.23029	2.5
381.22891	1.2
395.24341	3.5
399.23962	9.4
400.24539	1.2
413.25690	0.7
418.47736	0.5
441.25043	1.0
465.28918	0.9
483.29764	18.4
484.30045	3.1
499.25854	1.7
500.26224	0.9
501.30780	14.9
502.31451	2.0
525.27185	6.9
526.27441	1.0
543.15753	0.9
543.27551	6.6
544.15240	0.7
544.29028	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	543.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	1.6
55.12596	1.3
57.03329	5.7
59.01265	83.7
61.98715	3.4
69.03339	3.4
69.67331	9.6
71.01273	33.1
71.04919	3.8
72.99199	36.7
73.02827	6.1
75.00764	17.8
80.04379	1.6
83.01270	4.7
83.04913	2.3
84.02057	2.3
85.02841	22.1
87.00790	8.2
87.04413	4.8
89.02335	27.7
93.03368	5.1
95.01293	2.6
97.02856	7.8
99.00775	5.1
99.04396	3.7
101.02345	18.7
109.02824	2.1
109.06486	3.8
111.00807	2.5
111.04397	1.6
113.02346	16.7
115.00259	1.5
119.03419	11.2
121.06515	2.9
123.04426	2.3
123.08092	3.0
125.02354	3.9
125.06054	1.8
125.09649	1.8
127.07563	7.1
128.01047	2.9
129.01811	1.9
131.03386	2.2
133.10141	1.7
134.03677	1.6
134.04964	1.5
134.71323	1.5
137.09679	1.9
143.03444	4.1
147.08104	2.1
149.09682	13.4
151.07597	2.5
151.11227	3.7
153.09155	3.3
157.08691	2.2
161.04530	4.7
161.13390	1.8
163.11288	1.7
173.04500	10.4
175.07658	3.1
177.12943	1.8
179.05591	7.6
179.07068	3.7
189.09242	2.4
191.05643	8.9
193.05074	3.7
196.07338	2.4
197.08257	13.5
197.09959	2.5
205.08871	1.9
207.13884	2.4
219.17500	2.3
231.17636	2.3
238.08502	4.5
242.07346	1.6
283.17117	1.9
291.19775	7.7
293.21375	2.5
301.18365	2.3
307.19235	4.5
309.20761	9.8
319.19263	7.3
323.18390	1.6
325.07248	2.0
327.16315	1.7
328.35669	1.9
331.19324	6.8
333.20703	2.1
335.18829	2.5
337.20233	7.8
337.42172	1.9
341.19519	2.5
345.17166	9.0
349.20325	6.8
363.18216	41.9
364.18573	7.8
367.10281	1.8
381.19241	100.0
382.19583	12.3
423.20520	3.1
426.86844	1.7
436.30441	1.8
483.29922	6.6
501.30734	3.1
543.24658	70.0
544.25281	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.4
56.26569	0.4
57.03337	2.0
58.00483	2.8
59.01265	61.1
60.01608	0.7
61.19316	0.4
61.98711	0.9
67.01817	0.4
68.99722	0.5
69.03345	2.3
71.01274	36.6
71.60923	0.5
72.01600	0.6
72.99210	4.2
73.02843	10.9
75.00777	0.8
78.95800	2.8
81.03350	0.8
83.01272	4.8
83.04932	0.5
85.02848	12.6
85.99994	3.0
87.00775	24.6
88.01090	0.5
89.02342	53.5
90.02692	0.7
90.85829	0.5
93.03366	4.6
95.01321	1.5
96.95916	0.8
96.96893	0.4
97.02839	2.7
99.00793	2.8
99.01341	0.4
101.02351	28.6
107.04958	0.5
108.02084	53.9
109.02905	10.7
111.00780	2.1
111.04456	0.6
111.34174	0.4
113.02361	8.8
113.05999	10.2
117.03382	0.9
119.03426	1.8
119.04962	1.5
121.02866	2.6
123.00801	1.0
123.04428	0.8
125.02377	1.4
127.03941	0.5
128.03960	0.4
129.01884	1.5
131.03433	50.4
132.02122	0.5
132.03784	1.4
133.02910	1.5
134.03670	24.1
135.04489	4.8
137.02390	1.8
139.03975	0.8
141.01797	1.6
143.03432	2.1
145.02890	0.8
147.04437	2.3
149.02481	1.7
149.04509	54.1
149.05969	4.2
150.04832	1.5
151.03951	1.1
152.01099	100.0
153.01541	5.4
160.01631	1.8
161.02341	0.8
161.04439	1.9
163.03969	4.1
164.04372	0.4
173.04597	1.9
175.03983	2.9
177.01930	1.8
178.02676	4.2
179.03482	3.1
181.05020	0.5
191.05591	52.1
192.05867	2.8
193.01506	0.4
193.05043	10.5
194.05357	0.9
196.24149	0.4
201.04030	9.4
202.04324	0.6
203.90657	0.4
207.03000	1.1
219.05099	5.7
220.05345	0.5
233.06683	18.9
234.07066	1.3
236.08482	0.4
237.09253	2.1
238.10023	3.5
239.10660	0.5
251.07825	0.7
253.12602	0.8
297.11487	4.4
315.07312	1.1
341.10385	26.4
342.10809	3.4
349.05939	0.4
349.09433	3.1
381.19278	2.5
395.09851	0.7
429.10434	10.9
430.10794	1.5
447.11560	17.1
448.11899	1.6
452.55115	0.5
455.12088	1.2
542.66840	0.7
543.17322	78.3
544.17712	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
55.06201	0.2
57.03323	0.5
58.00459	0.3
59.01266	5.7
69.03345	1.1
70.98217	0.8
71.00648	0.3
71.01273	7.4
71.89940	0.3
72.99191	1.8
73.02838	3.2
75.00727	0.4
81.03333	0.4
83.01282	1.1
83.04915	1.1
85.02832	3.7
87.00776	1.0
89.02345	1.1
93.03351	1.6
95.01260	0.6
95.04929	13.9
96.05298	0.5
96.95922	0.4
97.02852	0.4
97.06490	77.7
98.06835	2.4
99.00792	1.6
99.04404	0.3
101.02346	6.0
101.05985	0.6
107.04913	0.3
111.00734	0.3
111.04481	0.3
113.02367	4.1
115.07562	18.5
116.07904	0.6
117.03369	0.3
119.04929	0.5
121.06509	0.3
125.02335	0.4
129.01846	0.5
133.02890	1.3
134.03651	0.6
135.04443	1.0
141.05504	3.1
145.02876	1.4
146.03310	0.3
147.04521	0.3
159.06577	100.0
160.01611	0.4
160.06911	4.0
161.02440	2.8
161.04491	4.6
162.04831	0.3
163.03935	0.8
164.86591	0.3
165.05539	2.3
171.42479	0.3
173.04526	1.0
175.03912	0.6
179.03471	0.5
191.05609	2.3
193.05130	0.4
219.05147	0.5
269.10376	3.5
270.10669	0.3
348.08542	0.3
349.08521	0.3
353.08972	0.3
401.14606	11.6
402.14908	1.3
428.09732	0.4
441.14050	1.0
525.16571	0.3
543.20947	61.5
544.21320	11.6
544.28333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26956	0.2
56.64668	0.2
57.03332	0.5
59.01263	8.5
61.98706	0.9
71.01273	2.5
72.89069	0.2
73.02834	0.8
83.01287	0.5
85.02833	0.9
87.00769	0.5
89.02334	0.4
98.19806	0.7
99.04436	0.7
101.02347	1.1
105.03323	0.6
109.02832	0.3
113.02364	1.1
117.03359	1.2
119.04984	0.7
121.02908	0.4
122.03674	0.4
123.04466	0.4
125.02365	0.7
130.04184	0.3
132.02097	20.4
133.02921	5.3
134.03665	24.9
135.04192	0.7
137.02379	0.7
139.03940	0.3
145.02921	0.4
146.03659	0.2
147.04434	1.2
148.05240	28.0
149.06041	5.9
150.06308	0.2
157.02872	0.3
158.03673	8.3
159.04160	0.4
160.01607	87.1
161.01982	5.0
161.04449	1.2
162.02982	0.3
163.07597	11.6
164.07932	0.7
173.02386	0.4
173.06044	7.2
174.03172	1.1
174.06367	0.5
175.03963	100.0
176.04305	5.0
177.01871	0.9
178.02701	1.0
179.03416	0.9
180.03740	0.3
189.05586	0.3
191.05569	0.5
191.07124	1.5
193.05035	29.1
194.05386	1.2
195.14047	0.2
201.01912	6.6
202.02696	11.0
203.03239	0.7
217.05055	26.7
218.05374	1.3
229.01324	0.3
235.06187	1.5
319.08429	0.9
337.03998	0.2
337.09415	1.1
339.86304	0.2
353.76810	0.3
379.10422	19.9
380.10614	2.0
399.24277	0.3
483.16690	5.9
484.16763	1.2
501.17944	1.5
502.17987	0.4
528.16266	0.5
543.18860	32.9
544.19373	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	543.2096
Annotation	Dracunculifoside Q
Peak:m/z	Relative Intensity
52.95478	0.3
55.01772	0.6
57.03331	0.4
57.46249	0.3
58.62878	0.3
59.01266	7.2
60.21301	0.3
61.98723	0.9
67.01793	0.4
69.03344	6.0
71.01273	5.9
71.59638	0.5
72.99191	0.5
73.02843	2.7
79.05441	0.3
80.96399	0.6
81.03368	0.4
82.97981	0.3
83.01284	1.1
85.02837	2.9
87.00779	0.9
89.02359	1.6
91.05441	0.6
93.03355	2.3
95.01319	0.7
96.95910	3.3
96.96910	0.5
97.02853	1.3
97.06487	0.4
99.00780	2.2
99.04404	0.4
101.02344	4.8
107.04952	1.7
111.04427	0.5
113.02367	2.4
115.07579	0.6
117.03351	1.5
122.72984	0.3
123.04469	0.5
125.02396	0.6
132.02089	1.1
133.02885	20.1
134.03691	8.9
135.04451	100.0
136.04787	4.9
137.02367	1.0
141.01862	0.6
143.03435	0.3
145.02850	0.4
148.05243	2.6
149.05984	0.6
153.05502	0.7
155.03426	0.5
159.03020	0.4
159.06555	1.4
160.01579	0.7
161.02393	55.0
161.04556	1.8
162.02745	2.9
163.07602	2.9
173.04523	3.3
174.04771	0.4
175.03944	0.6
177.01810	0.4
177.14160	0.3
179.03462	64.6
180.03802	3.1
185.00865	3.1
191.05600	3.5
192.06065	0.4
193.05055	1.0
233.73232	0.3
249.13377	2.1
265.05325	0.4
281.08435	0.3
293.04538	0.4
328.02484	0.3
335.07520	0.3
339.31885	0.4
349.05850	0.4
349.09338	1.6
353.08853	0.8
367.10577	0.6
381.17731	0.4
384.72827	0.3
499.18228	1.1
511.09561	0.4
543.20953	75.8
544.21295	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	543.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
57.03326	1.0
58.00476	0.7
59.01265	23.2
61.98749	0.4
64.79998	0.3
69.03341	1.5
70.91711	0.7
71.01272	14.0
72.46246	0.3
72.99207	2.4
73.02838	4.9
75.00746	0.7
78.95802	1.6
81.03357	0.6
83.01283	1.8
85.02847	5.8
86.00002	1.2
87.00776	9.7
89.02339	19.1
93.03369	2.0
93.60197	0.3
95.01288	1.2
97.02861	1.3
99.00786	1.4
101.02345	9.4
102.09522	0.3
108.02082	50.9
109.02912	8.7
111.00763	0.6
111.04412	0.4
113.02359	5.1
113.06001	10.3
114.06329	0.4
119.03397	1.0
119.04959	1.0
120.05311	0.3
121.02903	1.9
122.03738	0.4
123.00820	0.7
123.04454	0.7
125.02364	1.1
129.01935	0.8
131.03432	18.4
133.02873	0.9
134.03668	10.5
134.04662	0.7
135.04483	3.9
137.02415	0.8
143.03412	0.6
145.02907	0.6
147.04463	1.1
149.02420	1.1
149.04503	18.2
149.05974	2.3
151.03979	1.3
152.01094	100.0
153.01587	5.0
160.01579	1.2
161.02332	0.4
161.04495	1.2
161.05894	0.3
163.03949	5.3
164.04414	0.4
173.04507	1.2
175.03969	1.9
177.01907	1.8
178.02652	2.0
179.03487	3.5
187.03947	0.4
191.05588	19.0
192.05948	0.9
192.30940	0.3
193.05037	5.2
194.05243	0.4
201.04050	4.2
207.02943	0.8
219.05086	2.3
221.09613	0.4
230.27220	0.4
233.04433	0.5
233.06691	5.7
237.09256	1.2
238.09998	1.8
239.10321	0.4
253.12288	0.5
271.08475	0.5
276.65488	0.4
297.06293	0.5
297.11346	2.0
315.07358	1.1
334.45123	0.4
341.10352	10.3
342.10754	1.1
349.09357	1.2
357.31668	0.3
378.78671	0.3
381.19156	1.1
429.10458	11.2
430.10898	0.8
447.11557	14.4
448.11783	1.6
455.12250	0.9
462.41934	0.4
473.05969	0.3
525.16010	0.4
543.17310	70.6
544.17657	11.1
544.25824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.5
59.01259	2.6
65.45357	0.3
69.03322	0.9
70.69250	0.4
71.01258	2.8
72.99198	1.2
73.02825	1.1
81.03345	0.8
83.01310	0.8
85.02857	3.0
87.00775	1.3
87.36794	0.3
89.02349	1.1
93.03357	2.6
95.01311	1.2
97.02836	0.6
99.00752	1.8
101.02367	1.8
107.04937	0.5
108.02079	52.8
109.02913	8.8
110.03202	0.4
113.02347	1.2
113.05996	10.3
114.06326	0.4
117.03418	0.4
119.04953	0.7
121.02857	2.6
122.03732	0.5
123.00756	0.5
123.04480	0.9
125.02391	0.6
132.02107	0.7
133.02892	1.3
134.03683	4.8
135.04469	3.7
137.02361	1.1
139.03949	0.8
145.02899	0.8
147.00768	0.6
147.04369	0.4
148.01666	0.5
149.02393	3.8
150.02885	0.4
151.03958	0.9
152.01096	100.0
153.01553	5.3
153.05496	0.8
160.01602	1.7
161.02408	2.0
161.04485	1.2
163.03966	6.6
165.01913	0.4
172.33073	0.4
173.04547	1.7
175.00343	0.4
175.03947	2.3
176.04308	0.7
177.01860	1.3
179.03468	2.6
185.00871	0.4
191.05586	2.5
193.01407	0.9
193.05008	4.2
195.02954	0.4
201.04010	0.5
207.02979	1.3
280.36752	0.4
297.06421	0.4
315.07224	1.1
335.07837	0.6
341.10410	0.8
349.05655	1.0
367.10376	0.4
381.08441	1.0
403.12564	0.4
429.10461	11.8
430.10834	1.4
447.11542	17.5
448.11804	1.7
543.17297	79.9
544.17651	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	543.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24422	0.5
55.01748	0.5
55.22365	0.5
57.03339	2.7
58.00440	0.9
59.01268	20.7
60.99163	0.6
61.98710	2.8
65.00195	0.6
67.01746	2.1
69.03344	6.1
69.96968	0.4
70.41319	0.5
70.93320	1.1
71.01274	17.2
72.01584	0.5
72.99197	2.3
73.02837	4.7
75.00730	1.4
78.95792	2.8
81.03319	1.8
83.01281	4.1
83.04870	1.5
85.02845	16.9
87.00777	56.2
88.01087	0.8
89.02343	8.2
91.01759	1.8
93.03351	7.6
95.01251	1.3
95.04419	0.5
95.04935	6.5
96.95884	0.9
96.96825	0.8
96.99181	1.0
97.02853	7.0
97.06495	26.3
98.06789	0.6
99.00790	4.1
99.04365	0.9
100.13583	0.5
101.01721	0.5
101.02354	8.1
108.02074	3.2
109.02824	1.6
111.00794	8.0
111.04420	2.7
111.27940	0.5
113.02356	8.1
115.00246	2.0
115.03893	0.8
115.05417	1.0
115.07578	6.0
117.03327	1.3
119.03396	0.6
119.04902	2.7
121.02876	2.4
122.03640	1.0
123.04459	4.9
124.01532	1.2
125.02345	1.5
127.03882	0.7
129.01868	6.7
131.03398	2.1
133.02873	0.9
134.03673	37.3
135.04344	2.2
137.02391	3.2
137.05933	1.8
139.00270	0.5
139.03888	1.6
141.01912	4.3
141.05524	1.0
143.03435	0.9
145.02849	1.9
146.03654	0.8
147.04457	3.1
148.01595	1.0
149.02380	1.1
149.04486	2.7
149.05992	5.6
150.03171	0.5
151.03902	1.5
152.01132	2.4
155.03426	1.1
157.04991	1.7
159.04425	1.2
159.06583	38.0
160.01549	2.1
160.06921	1.4
161.02467	2.9
161.04520	3.2
161.05763	0.8
163.03970	3.2
167.03470	2.9
173.02214	0.5
173.04527	5.8
173.05878	0.9
175.03920	2.4
177.01808	0.7
178.02647	3.4
179.03418	0.9
181.04996	3.7
187.03883	0.6
191.05600	12.5
192.05838	0.9
193.05042	12.4
194.05441	0.8
201.04019	14.8
202.04378	0.6
210.06847	3.7
219.05107	100.0
220.05492	5.5
221.06616	0.7
222.07120	0.6
225.09204	3.1
226.06438	0.5
235.07695	9.0
235.10013	0.7
236.08418	7.4
237.09250	4.9
238.10004	6.6
239.10519	0.9
247.07855	0.6
249.09286	0.7
251.07384	0.8
251.10773	2.7
253.12360	1.6
263.07074	2.8
264.07977	4.6
265.08560	0.7
267.07230	1.1
269.10452	0.7
279.10175	2.7
281.08588	0.6
297.11349	8.5
298.11984	0.5
308.07089	1.6
323.09402	8.1
324.09644	0.8
325.57748	0.5
341.10382	51.2
342.10718	5.2
349.09332	2.8
351.12485	0.7
381.23120	0.5
395.10312	0.7
401.14694	1.6
446.13986	2.3
446.68576	0.6
543.21332	24.3
543.28406	5.0
544.26215	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	543.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24422	0.5
55.01748	0.5
55.22365	0.5
57.03339	2.7
58.00440	0.9
59.01268	20.7
60.99163	0.6
61.98710	2.8
65.00195	0.6
67.01746	2.1
69.03344	6.1
69.96968	0.4
70.41319	0.5
70.93320	1.1
71.01274	17.2
72.01584	0.5
72.99197	2.3
73.02837	4.7
75.00730	1.4
78.95792	2.8
81.03319	1.8
83.01281	4.1
83.04870	1.5
85.02845	16.9
87.00777	56.2
88.01087	0.8
89.02343	8.2
91.01759	1.8
93.03351	7.6
95.01251	1.3
95.04419	0.5
95.04935	6.5
96.95884	0.9
96.96825	0.8
96.99181	1.0
97.02853	7.0
97.06495	26.3
98.06789	0.6
99.00790	4.1
99.04365	0.9
100.13583	0.5
101.01721	0.5
101.02354	8.1
108.02074	3.2
109.02824	1.6
111.00794	8.0
111.04420	2.7
111.27940	0.5
113.02356	8.1
115.00246	2.0
115.03893	0.8
115.05417	1.0
115.07578	6.0
117.03327	1.3
119.03396	0.6
119.04902	2.7
121.02876	2.4
122.03640	1.0
123.04459	4.9
124.01532	1.2
125.02345	1.5
127.03882	0.7
129.01868	6.7
131.03398	2.1
133.02873	0.9
134.03673	37.3
135.04344	2.2
137.02391	3.2
137.05933	1.8
139.00270	0.5
139.03888	1.6
141.01912	4.3
141.05524	1.0
143.03435	0.9
145.02849	1.9
146.03654	0.8
147.04457	3.1
148.01595	1.0
149.02380	1.1
149.04486	2.7
149.05992	5.6
150.03171	0.5
151.03902	1.5
152.01132	2.4
155.03426	1.1
157.04991	1.7
159.04425	1.2
159.06583	38.0
160.01549	2.1
160.06921	1.4
161.02467	2.9
161.04520	3.2
161.05763	0.8
163.03970	3.2
167.03470	2.9
173.02214	0.5
173.04527	5.8
173.05878	0.9
175.03920	2.4
177.01808	0.7
178.02647	3.4
179.03418	0.9
181.04996	3.7
187.03883	0.6
191.05600	12.5
192.05838	0.9
193.05042	12.4
194.05441	0.8
201.04019	14.8
202.04378	0.6
210.06847	3.7
219.05107	100.0
220.05492	5.5
221.06616	0.7
222.07120	0.6
225.09204	3.1
226.06438	0.5
235.07695	9.0
235.10013	0.7
236.08418	7.4
237.09250	4.9
238.10004	6.6
239.10519	0.9
247.07855	0.6
249.09286	0.7
251.07384	0.8
251.10773	2.7
253.12360	1.6
263.07074	2.8
264.07977	4.6
265.08560	0.7
267.07230	1.1
269.10452	0.7
279.10175	2.7
281.08588	0.6
297.11349	8.5
298.11984	0.5
308.07089	1.6
323.09402	8.1
324.09644	0.8
325.57748	0.5
341.10382	51.2
342.10718	5.2
349.09332	2.8
351.12485	0.7
381.23120	0.5
395.10312	0.7
401.14694	1.6
446.13986	2.3
446.68576	0.6
543.21332	24.3
543.28406	5.0
544.26215	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	543.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42086	0.3
57.03342	0.7
59.01264	8.3
60.99178	0.7
61.98711	2.6
65.03851	0.9
67.01777	4.0
69.03333	0.9
71.01269	4.2
71.06293	0.5
73.02836	0.7
81.03341	0.7
83.01268	0.6
83.04904	1.0
83.13456	0.3
85.02845	1.0
87.00784	0.8
89.02350	0.5
89.03896	1.5
93.03358	44.6
94.03693	1.2
94.20330	0.3
96.95908	0.9
99.00771	0.4
101.02354	0.9
105.29579	0.3
109.02851	0.9
111.00797	0.6
111.04428	5.2
113.02367	1.5
117.03362	4.5
127.03938	1.0
132.02110	1.1
133.02853	1.5
134.03665	57.4
135.03923	2.6
137.02376	32.9
138.02692	1.4
149.06017	5.3
155.03442	12.1
156.03822	0.7
159.10384	0.3
160.01596	7.0
161.02318	1.2
161.04520	0.3
173.04510	100.0
174.04836	3.8
175.03958	7.3
176.04309	0.4
177.01761	0.3
178.02686	1.7
179.03365	0.3
191.05573	4.2
192.05876	0.4
193.05040	45.7
194.05411	2.9
204.95705	0.3
259.80289	0.3
279.00879	0.3
305.10248	0.3
314.04071	0.4
334.07111	0.7
349.09372	20.7
350.09601	2.3
359.50143	0.3
367.10419	46.9
368.10757	4.7
383.21164	0.4
483.29623	1.1
543.15247	1.8
544.15839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95165	0.5
54.31002	0.5
57.03334	1.8
59.01266	8.4
60.99177	1.0
61.98711	1.5
67.01783	5.0
69.03342	1.3
69.76278	3.3
71.01277	5.9
73.02839	2.1
75.22466	0.5
78.95804	0.7
81.03356	2.0
83.01311	0.7
83.04923	4.5
85.02859	2.4
87.00793	3.0
89.02337	3.1
89.03863	1.9
93.03358	26.5
94.03671	1.1
95.01266	0.9
96.95913	4.7
97.02891	0.7
98.20502	1.0
99.00776	1.1
99.04442	0.5
101.02343	2.4
105.69058	0.5
108.02035	0.7
109.02860	1.9
111.00790	2.2
111.04429	18.2
113.02370	2.5
117.03384	9.8
118.98022	2.4
119.04948	1.1
125.02362	0.5
126.98509	0.7
127.03938	3.0
129.01799	0.5
132.02104	5.3
133.02928	2.7
134.03668	100.0
135.04057	3.8
137.02371	21.3
138.02722	0.6
148.05203	1.6
149.04622	0.8
149.06013	10.6
151.82127	0.5
154.98038	3.1
155.03442	41.3
156.03789	1.1
160.01608	35.0
161.02217	2.1
161.04550	0.9
163.03954	0.8
163.07578	1.3
173.04512	97.8
174.04878	3.4
174.06349	0.7
175.03961	43.0
176.04332	2.5
178.02681	3.7
179.03459	1.4
188.11780	0.6
191.05583	5.5
193.05035	70.1
194.05402	3.9
200.08467	0.5
210.06923	0.9
216.98076	0.6
228.07852	0.7
232.62152	0.6
243.10301	0.7
269.08252	1.6
305.10275	1.6
313.07150	0.6
334.07065	1.4
349.09357	94.0
350.05811	0.9
350.09698	9.5
351.83368	0.6
367.10443	17.2
368.10550	1.2
383.11670	0.9
499.26801	0.8
542.30640	0.6
543.15051	32.8
544.15454	6.0
544.23767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80980	0.2
56.49601	0.2
57.03329	0.7
59.01265	10.1
61.98722	2.7
62.77781	0.2
67.20479	0.2
67.52711	0.2
71.01272	2.5
71.59113	0.3
72.99195	0.2
73.02841	1.0
82.37821	0.2
83.01264	0.2
83.04977	0.2
85.02833	1.2
87.00758	0.4
87.04434	0.2
89.02355	1.0
89.03860	0.3
90.77130	0.2
95.01289	0.2
99.00780	0.2
99.04438	0.9
101.02354	1.7
105.03365	0.7
109.02875	0.2
109.25490	0.2
113.02357	1.3
117.03372	0.7
119.03425	0.5
121.02892	0.2
123.04459	0.4
131.04977	0.2
132.02121	2.1
132.05734	0.4
133.02884	36.2
133.06514	11.0
134.03337	1.1
134.06863	0.6
135.04448	10.0
135.38150	0.2
136.04791	0.5
137.02386	0.7
147.04558	0.3
159.04427	1.5
160.01537	0.3
161.02388	100.0
162.02731	4.4
163.03941	0.2
179.03465	6.6
180.03789	0.2
191.05554	0.6
195.08261	0.2
197.11797	0.5
203.03487	0.9
209.11803	0.3
365.08771	2.2
395.24301	0.3
397.20459	0.6
397.70572	0.3
397.80228	0.2
457.15088	2.5
458.15433	0.6
483.29755	1.6
499.16220	41.5
500.16565	7.0
501.31085	1.2
525.27289	0.3
534.89655	0.2
543.29578	0.4
544.22656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3162
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
50.71894	1.5
57.03349	2.2
57.59781	1.4
59.01266	35.8
61.98729	3.0
69.34641	10.6
69.35066	6.7
71.01283	9.0
73.02845	6.6
82.42214	1.5
85.02851	3.9
87.00742	1.8
89.02340	3.1
96.77928	1.6
96.95925	2.4
99.00800	3.4
101.02357	7.2
113.02375	4.9
119.04954	3.0
128.36151	1.6
152.01163	2.2
161.02370	2.2
161.04488	2.5
167.03400	2.3
175.88641	1.7
177.05112	1.7
179.03413	2.6
191.05666	4.6
229.14502	1.8
253.04874	2.1
271.05746	2.2
481.27359	1.7
505.33578	8.7
506.33972	1.8
507.46683	1.8
541.31451	100.0
542.31592	15.6
555.60809	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	542.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20290	0.1
54.03352	0.1
57.03334	0.1
59.01265	2.7
60.01602	0.1
61.01699	0.2
61.98717	100.0
62.98419	0.1
67.01752	0.1
71.01263	0.5
71.58689	0.1
73.02831	0.2
74.90061	0.1
78.95831	0.1
83.01308	0.1
85.02856	0.4
87.00768	0.1
89.02347	0.3
93.03388	0.3
95.01333	0.1
96.95913	0.1
97.02863	0.1
101.02341	0.4
108.20550	0.1
109.06533	0.1
111.04411	0.2
113.02388	0.2
116.97239	0.1
119.03460	0.1
133.02876	0.3
135.04463	0.2
135.54442	0.1
137.02414	0.1
145.02876	0.2
155.26237	0.1
161.02361	0.8
161.04474	0.1
162.02724	0.1
173.04532	0.3
179.03568	0.2
179.95900	0.1
191.05594	1.3
201.01736	0.2
202.02109	0.1
207.10237	0.1
209.11774	0.2
221.06288	0.1
229.01302	0.1
248.04581	0.1
333.00674	0.1
339.04895	0.1
353.08920	0.1
401.08990	0.1
481.27283	0.1
482.27493	0.6
483.29636	0.1
543.32343	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	543.1522
Annotation	CHEBI:85153
Peak:m/z	Relative Intensity
57.03347	0.4
59.01266	14.7
61.98719	3.9
65.33444	0.4
67.01786	0.7
69.03364	0.6
70.51471	1.2
70.51837	0.3
71.01271	5.0
72.99206	0.5
73.02830	2.8
77.49335	0.4
78.95802	0.6
81.03378	1.0
83.01289	1.1
83.04910	1.1
85.02852	2.2
87.00786	0.7
88.16964	0.3
89.02337	2.2
89.03861	2.4
93.03359	9.5
93.03936	0.7
95.01305	0.3
96.95915	13.0
96.96891	0.9
98.19787	0.5
99.04377	0.4
101.02363	3.1
105.03368	0.5
106.04179	0.7
109.02836	0.8
111.00793	0.8
111.04424	4.9
111.45895	0.3
113.02345	2.4
113.48350	0.4
117.03382	8.2
119.03440	0.6
119.04955	0.5
121.02887	0.7
123.04431	0.6
125.02396	0.5
127.03951	1.4
129.01810	0.4
131.03471	0.5
132.02094	1.9
133.02887	4.0
134.03670	99.4
135.03943	3.5
137.02393	4.9
139.03984	0.7
149.02280	0.6
149.06030	11.3
155.03445	5.7
160.01611	12.7
161.02423	4.5
161.04520	1.5
162.02731	0.4
173.04518	38.3
174.04832	1.4
175.03972	12.5
176.04279	0.8
177.01912	1.0
178.02667	3.0
179.03482	1.6
191.05595	8.3
193.05049	100.0
194.05389	5.8
227.07193	0.4
334.06931	1.4
349.09378	42.0
350.09744	3.9
367.10410	36.1
368.10718	4.5
438.32266	0.4
450.37500	0.4
483.29678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02633	2.1
53.03894	2.1
58.78601	2.1
59.01266	73.7
61.98714	16.5
64.59777	2.1
65.83235	2.2
71.01274	48.6
71.62272	2.5
72.99189	2.5
73.02835	36.2
77.70142	2.2
80.52637	1.9
83.01283	11.6
85.02833	9.7
89.02332	10.2
95.01306	3.6
96.95937	3.0
101.02354	30.5
113.02373	12.4
131.03444	2.0
143.03424	3.4
144.71120	2.5
161.04471	4.0
191.05637	4.2
223.17007	1.9
275.20206	14.4
293.21149	11.8
297.32083	2.1
332.37317	2.6
333.00867	2.6
437.25348	6.0
455.26517	15.8
456.26892	3.1
497.27689	100.0
498.27914	16.8
528.20630	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	541.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.0
61.56185	0.4
63.96125	0.8
69.03354	0.6
69.89273	2.4
71.01274	7.2
71.97136	0.4
72.99187	0.4
73.02834	1.5
78.95786	0.9
78.98489	6.2
79.95627	9.0
80.96412	61.9
81.03349	0.8
83.83751	0.4
85.02833	3.2
86.50549	0.4
87.00780	2.8
94.97987	13.5
96.95911	1.0
97.02843	1.7
98.19806	0.9
99.00782	0.6
99.04433	0.5
101.02353	2.0
106.97970	3.0
122.97533	2.8
125.02372	2.8
127.03960	0.7
134.97511	4.4
136.99052	1.6
148.99072	6.1
151.14616	0.4
152.98578	5.3
164.98584	10.0
177.89655	0.4
191.05612	0.7
192.41829	0.4
206.99690	2.4
225.00751	15.8
241.21698	2.7
246.57379	0.5
299.04330	3.8
299.27963	0.5
350.01270	0.5
444.39316	0.5
541.27002	100.0
542.27356	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	541.3031
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
52.55500	0.3
57.59243	0.2
58.00478	0.3
58.04338	0.2
59.01266	100.0
60.01600	1.0
61.98729	0.7
69.03341	4.5
70.88873	0.5
70.89192	0.3
71.01272	3.2
71.04897	0.3
71.20457	0.2
72.99200	0.4
73.02850	0.5
75.20291	0.3
83.01264	0.3
85.02859	1.4
88.15720	0.3
89.02333	2.4
95.01290	0.6
95.80138	0.3
100.21713	0.3
101.02347	2.9
113.02364	3.3
119.03435	2.2
143.03450	0.7
161.04506	2.0
165.12997	0.3
175.30206	0.2
179.03455	0.4
179.05597	0.8
190.34714	0.3
202.82262	0.3
221.06699	0.9
272.71072	0.2
275.23895	3.0
283.02548	0.4
301.21777	0.6
302.20325	0.2
319.22855	94.3
320.23199	11.4
320.27115	0.5
333.24414	1.1
343.22821	2.8
361.23981	1.5
373.23987	1.1
391.25378	0.4
481.28235	2.6
482.28439	0.5
541.30347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31890	4.1
59.01263	57.6
61.68909	3.3
62.10266	3.3
64.62585	3.0
67.83518	3.3
69.03320	4.1
71.01273	47.5
71.56406	7.3
72.99181	3.7
73.02825	9.1
85.02862	5.1
87.00805	4.5
87.93221	3.1
89.02336	100.0
90.25010	2.9
93.03355	9.2
96.95918	10.6
99.00779	23.2
101.02341	35.7
101.30804	3.5
113.02361	7.8
119.03429	6.2
131.03394	15.7
149.04501	61.1
163.03983	3.8
167.19688	3.6
173.04485	6.2
191.05583	49.1
192.05910	4.2
251.07640	7.9
311.10123	5.0
361.09714	6.5
481.22961	99.3
482.23141	18.0
541.21875	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	541.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22753	2.5
59.00174	2.4
59.01267	100.0
61.98719	12.7
71.01276	59.0
71.57366	2.8
71.94816	2.2
72.99192	4.4
73.02837	51.5
83.01275	18.3
85.02863	7.0
89.02354	11.5
93.03358	4.1
99.00773	3.4
101.02357	41.9
113.02364	10.5
135.04443	3.0
143.03377	3.0
149.04454	3.0
161.04491	11.7
191.05605	5.9
201.55104	2.8
239.52621	2.8
245.06720	2.7
275.20190	30.0
293.21329	21.2
313.41693	2.6
319.22864	4.1
346.21478	2.9
415.16656	2.6
437.25714	5.2
455.26541	15.4
497.27689	95.0
498.27798	14.8
515.32898	2.7
541.30212	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	541.2304
Annotation	Jasnudifloside J
Peak:m/z	Relative Intensity
52.78447	2.0
57.03330	7.5
59.01268	53.6
60.77506	2.1
61.98731	4.1
64.47662	1.9
69.03347	2.6
71.01274	31.0
71.04914	5.9
71.61166	2.7
72.99209	19.5
73.02856	7.0
73.55754	2.0
75.00776	17.6
78.95792	4.3
83.01278	2.7
83.04948	4.0
85.02849	31.5
87.00789	11.6
89.02333	23.5
93.03357	11.2
95.01327	3.2
95.04927	3.4
97.02860	9.7
99.00784	4.4
99.04431	6.1
100.00227	2.2
101.02370	14.5
107.04960	2.5
109.02882	4.6
109.06499	4.3
111.04463	6.5
113.02357	14.9
113.03047	2.2
115.00252	2.7
117.03392	2.7
119.03423	9.4
119.04945	14.7
121.06534	5.7
123.08102	21.9
128.01126	2.9
133.10176	5.3
135.04431	3.4
137.06027	2.9
137.09583	2.0
139.07562	3.9
143.03479	2.6
145.02881	7.8
149.09662	25.8
161.04500	5.0
163.03963	10.8
167.10724	2.7
173.04509	8.7
177.09117	4.4
177.12872	6.0
179.03400	2.3
179.05573	5.2
189.09148	10.7
191.05612	21.4
192.05965	3.0
193.08713	2.8
195.08188	5.5
197.08186	7.9
201.03938	3.2
213.12857	3.5
221.15616	2.6
231.13791	3.9
245.11844	4.7
245.15755	2.9
245.19090	2.7
257.11954	3.8
263.12918	18.2
273.18604	5.1
275.13052	3.8
289.18271	6.8
299.16614	5.5
305.17685	2.7
307.19180	10.1
317.17722	13.6
331.19205	2.1
335.18628	9.9
339.18393	3.6
343.15512	14.0
347.18582	5.5
349.20273	3.6
361.16647	58.9
362.17059	6.3
379.17697	100.0
380.18018	9.9
406.54263	2.3
421.18781	6.1
423.96332	2.4
465.16388	3.4
468.70740	2.1
541.23071	58.8
541.30396	12.1
542.23431	9.2
542.30762	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	541.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
57.03336	1.0
59.01267	5.1
61.98713	2.0
69.03345	0.7
69.43471	2.2
71.01276	2.6
71.50195	0.2
72.99202	25.0
73.02843	1.0
75.00777	0.5
78.95800	0.5
83.01273	0.4
85.02850	2.2
87.00776	0.5
89.02328	1.0
93.03355	1.8
95.01295	0.4
95.04935	0.2
96.95910	0.4
96.96916	0.2
97.02827	0.3
98.20499	0.4
99.00787	0.6
101.02344	1.5
101.05993	11.7
102.06315	0.3
102.08243	0.2
107.65845	0.2
111.00784	0.4
113.02373	3.9
115.78893	0.2
116.92774	0.4
117.03376	1.7
119.04951	100.0
120.05283	4.4
121.02914	1.0
123.04440	0.7
125.02316	0.2
127.03854	0.2
131.03445	0.7
132.05705	0.3
133.02847	0.4
133.06488	0.2
134.03706	0.3
135.04440	0.5
137.02353	0.3
145.02890	5.2
146.03201	0.3
161.02406	0.4
161.04414	0.3
161.05971	0.4
162.03154	1.5
163.03966	59.8
164.04311	3.6
173.04570	1.0
175.04086	0.3
175.07596	0.3
179.03465	0.4
180.86932	0.2
191.05600	2.2
193.05029	0.2
195.08130	0.3
204.37776	0.2
205.05144	0.3
211.07803	0.3
217.04956	0.3
219.06621	0.7
277.07300	1.7
307.08334	1.1
314.74747	0.2
325.09409	0.8
337.09348	0.6
341.62244	0.2
353.12595	0.2
355.64273	0.2
367.10391	0.4
439.12589	17.6
440.12961	2.4
457.13550	2.6
458.14206	0.3
481.27701	0.3
540.29175	0.8
541.19427	27.0
541.28784	1.3
542.19720	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	541.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97362	0.5
58.00491	0.6
59.01264	9.7
61.98720	0.8
71.01269	6.3
71.55573	0.4
72.99222	0.5
73.02843	1.9
78.95821	0.4
83.01247	0.5
83.51358	0.4
85.02854	2.0
87.00797	1.1
89.02338	6.1
89.03853	0.4
93.03348	1.2
95.01292	0.7
96.95943	1.0
97.02837	0.6
99.00777	1.9
101.02355	3.9
107.04935	1.8
109.02854	0.7
111.04408	0.4
111.18839	0.4
112.53243	0.4
113.02352	1.3
117.03403	1.4
119.03439	1.1
119.04920	0.8
121.02895	0.4
123.04449	0.9
125.02354	0.7
129.01848	0.4
131.03403	0.5
132.02116	1.7
133.02887	20.9
134.03699	7.5
135.04453	100.0
136.04794	5.3
137.02426	0.7
139.03957	0.5
145.02895	1.4
149.02380	0.5
149.04541	0.7
153.01814	0.5
153.05513	0.5
155.10748	0.5
160.01617	2.6
161.02391	54.3
162.02725	3.8
163.03979	0.7
168.33844	0.4
173.04518	1.1
175.04041	1.8
177.01958	0.5
179.03464	64.1
180.03757	2.6
181.05028	0.4
191.05571	5.3
193.05005	0.5
229.01616	0.5
277.56989	0.4
339.05481	0.8
353.08859	1.2
365.08936	0.4
379.11053	0.5
379.16034	0.6
479.19440	0.9
497.20316	1.4
505.13739	1.1
541.19379	75.2
542.19727	12.3
542.27863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27242	0.2
52.55167	0.2
57.03339	0.5
59.01267	14.5
60.01611	0.4
61.98719	3.2
68.04274	0.2
68.64387	0.2
69.03361	0.2
71.01269	3.9
72.99190	0.4
73.02838	1.5
75.00798	0.3
78.95805	0.2
81.03364	0.3
83.01297	0.7
85.02840	2.1
87.00790	0.4
89.02349	1.7
89.03856	0.3
93.03365	0.9
95.01321	0.4
96.95921	0.7
97.02839	0.4
99.00787	0.4
99.04417	0.2
101.02340	3.0
105.03367	0.4
107.04953	0.5
109.02891	0.3
111.04436	0.3
113.02370	2.0
115.01879	0.2
117.03368	0.6
119.03444	0.6
119.04917	0.4
121.02865	0.4
122.03712	0.2
123.04446	0.2
125.02465	0.2
129.09145	0.2
131.03436	0.2
132.02100	1.9
133.02887	37.5
134.03748	2.0
135.04456	12.5
135.05278	0.3
135.99150	0.2
136.04782	1.0
137.02383	0.9
139.03958	0.2
143.03516	0.4
145.02893	0.6
147.04488	0.2
149.02440	0.2
159.03020	0.2
159.04482	0.7
160.01593	1.1
161.02396	100.0
162.02730	5.0
163.04028	0.3
167.03433	0.3
173.04602	1.1
173.05922	0.3
175.03938	1.0
177.01901	0.3
178.02516	0.3
179.03456	7.4
179.06993	0.2
180.03815	0.4
191.05583	5.2
192.05969	0.2
193.05037	1.0
200.51828	0.2
203.03471	0.5
243.02902	0.3
271.02496	0.2
313.03555	0.4
314.04282	0.5
331.19199	0.6
339.04938	0.3
349.20242	0.9
353.08972	1.4
392.11807	0.3
407.09927	0.2
455.19321	2.6
456.19586	0.3
480.32739	0.7
481.27817	1.5
497.20410	54.9
498.20767	7.9
499.29300	0.7
541.23248	0.4
541.30493	2.1
542.30682	0.3
567.15326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65927	0.5
57.03331	1.2
58.77747	0.5
59.01265	16.7
61.98723	2.6
65.03838	1.4
67.01766	0.5
69.03338	4.1
71.01269	6.3
71.56958	1.0
72.99199	1.6
73.02847	2.3
76.14688	0.5
78.95792	2.0
81.03327	1.0
83.01275	1.3
83.04922	1.8
85.02846	4.1
87.00768	4.4
89.02341	2.4
93.03365	5.2
95.01288	1.0
95.04945	1.2
96.95902	1.3
96.96873	0.9
97.02843	5.0
99.00781	1.1
99.04404	1.0
101.02332	3.6
107.04935	1.9
108.02094	1.0
108.76472	0.4
109.02911	2.6
111.00792	0.8
111.04426	1.2
112.77717	0.5
113.02355	3.2
113.05988	3.5
117.03381	25.6
118.03716	1.2
119.04946	43.1
120.05286	2.6
121.02868	3.5
123.00815	0.5
123.04449	1.6
125.49568	0.5
129.01872	3.6
132.02107	5.2
133.02890	4.5
133.06523	1.2
134.03670	20.6
135.04482	4.5
137.02367	2.5
139.03946	1.3
141.01860	3.7
145.02892	100.0
146.03212	5.6
147.04495	1.0
149.02443	0.7
149.06018	3.7
151.04016	0.6
152.01057	0.9
153.01855	0.6
157.05046	1.9
157.06430	0.8
159.04501	0.6
159.06622	0.7
160.00249	1.0
160.01607	20.7
161.02408	7.1
161.04517	1.6
161.06047	2.0
162.03096	2.0
163.03961	40.9
164.04305	2.8
165.05635	0.6
171.08098	0.6
173.04536	2.8
173.05969	1.0
175.03967	22.0
176.04391	1.6
178.02689	4.0
179.03503	3.6
182.02194	0.8
183.02963	1.1
183.08170	1.1
191.05595	8.6
193.05031	21.3
194.05409	1.1
195.06534	0.6
197.04561	1.5
199.07684	5.1
199.09496	0.7
200.07890	0.5
201.04016	4.9
205.05023	1.7
215.07214	0.7
217.05084	2.1
227.07143	1.3
229.01382	1.0
235.06165	1.3
243.06741	1.6
255.06566	1.0
257.08472	0.6
259.09802	0.9
261.07755	0.6
267.06586	0.8
273.07770	0.9
276.43802	0.5
295.77081	0.5
303.05322	1.2
303.08813	24.8
304.09152	2.9
339.05072	1.1
339.13913	0.5
347.07797	25.8
348.08112	3.1
349.20389	0.5
353.09076	0.9
365.08890	4.7
366.09341	0.8
377.08792	1.0
385.96246	0.6
401.14606	2.0
481.27582	1.8
540.26672	0.5
541.12885	6.8
541.19995	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	541.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65927	0.5
57.03331	1.2
58.77747	0.5
59.01265	16.7
61.98723	2.6
65.03838	1.4
67.01766	0.5
69.03338	4.1
71.01269	6.3
71.56958	1.0
72.99199	1.6
73.02847	2.3
76.14688	0.5
78.95792	2.0
81.03327	1.0
83.01275	1.3
83.04922	1.8
85.02846	4.1
87.00768	4.4
89.02341	2.4
93.03365	5.2
95.01288	1.0
95.04945	1.2
96.95902	1.3
96.96873	0.9
97.02843	5.0
99.00781	1.1
99.04404	1.0
101.02332	3.6
107.04935	1.9
108.02094	1.0
108.76472	0.4
109.02911	2.6
111.00792	0.8
111.04426	1.2
112.77717	0.5
113.02355	3.2
113.05988	3.5
117.03381	25.6
118.03716	1.2
119.04946	43.1
120.05286	2.6
121.02868	3.5
123.00815	0.5
123.04449	1.6
125.49568	0.5
129.01872	3.6
132.02107	5.2
133.02890	4.5
133.06523	1.2
134.03670	20.6
135.04482	4.5
137.02367	2.5
139.03946	1.3
141.01860	3.7
145.02892	100.0
146.03212	5.6
147.04495	1.0
149.02443	0.7
149.06018	3.7
151.04016	0.6
152.01057	0.9
153.01855	0.6
157.05046	1.9
157.06430	0.8
159.04501	0.6
159.06622	0.7
160.00249	1.0
160.01607	20.7
161.02408	7.1
161.04517	1.6
161.06047	2.0
162.03096	2.0
163.03961	40.9
164.04305	2.8
165.05635	0.6
171.08098	0.6
173.04536	2.8
173.05969	1.0
175.03967	22.0
176.04391	1.6
178.02689	4.0
179.03503	3.6
182.02194	0.8
183.02963	1.1
183.08170	1.1
191.05595	8.6
193.05031	21.3
194.05409	1.1
195.06534	0.6
197.04561	1.5
199.07684	5.1
199.09496	0.7
200.07890	0.5
201.04016	4.9
205.05023	1.7
215.07214	0.7
217.05084	2.1
227.07143	1.3
229.01382	1.0
235.06165	1.3
243.06741	1.6
255.06566	1.0
257.08472	0.6
259.09802	0.9
261.07755	0.6
267.06586	0.8
273.07770	0.9
276.43802	0.5
295.77081	0.5
303.05322	1.2
303.08813	24.8
304.09152	2.9
339.05072	1.1
339.13913	0.5
347.07797	25.8
348.08112	3.1
349.20389	0.5
353.09076	0.9
365.08890	4.7
366.09341	0.8
377.08792	1.0
385.96246	0.6
401.14606	2.0
481.27582	1.8
540.26672	0.5
541.12885	6.8
541.19995	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	541.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51803	0.3
57.03349	0.7
59.01265	37.1
61.98720	1.7
67.01792	0.5
69.03343	2.1
71.01271	6.9
71.60341	0.5
72.83355	0.4
72.99192	0.9
73.02844	2.7
74.70367	0.3
75.00806	0.7
78.95820	0.6
79.25653	0.3
81.03366	0.5
83.01282	2.7
83.04919	0.9
85.02851	4.0
86.35964	0.4
87.00775	11.6
88.98717	0.4
89.02347	3.9
89.03870	1.3
93.03355	4.3
95.01249	0.8
95.04931	1.5
96.95930	0.6
97.02850	2.4
98.96231	0.4
99.00792	1.2
99.04436	0.4
101.02350	3.2
108.02077	0.8
109.02871	1.1
111.00803	5.2
111.04443	1.2
113.02372	3.7
115.00278	0.8
117.03372	3.9
118.54166	0.4
119.03429	0.8
119.04956	2.4
121.02879	31.9
122.03227	1.5
125.02349	0.6
129.01823	0.9
131.03412	0.4
132.02109	18.0
133.02937	3.3
133.06522	0.5
134.03667	49.9
135.04483	2.4
136.01608	1.1
137.02377	2.6
139.03958	1.8
141.01785	0.7
145.02901	1.1
147.04512	1.7
148.05293	0.6
149.04697	0.7
149.06021	8.7
150.03137	0.7
153.02013	0.4
153.05534	0.4
157.05002	1.0
158.03690	20.9
159.04376	1.8
160.01613	74.2
161.02266	5.7
161.04521	1.0
162.02936	0.4
163.03961	1.1
165.05554	0.5
173.04538	2.4
173.06018	19.7
174.06387	1.2
175.03970	100.0
176.04312	4.9
177.01778	0.5
178.02684	6.4
179.03433	1.7
179.05681	0.6
183.02939	1.4
185.06039	0.8
189.05499	0.6
191.05566	3.9
191.07124	4.5
192.04225	1.2
193.05043	63.6
194.05405	3.6
200.04874	0.6
201.01984	2.9
201.04012	20.3
202.02660	2.9
202.04295	0.7
203.03439	1.0
214.06287	0.5
215.07153	1.1
217.05054	16.3
218.05392	1.2
229.08672	0.8
235.05983	0.4
243.04971	0.7
245.08168	1.3
247.06113	1.3
249.05988	0.5
255.03096	0.6
267.07144	1.4
271.09796	0.6
278.19113	0.4
283.02472	0.7
287.05661	1.4
287.08923	0.6
305.06671	1.8
315.08725	0.7
323.07788	11.3
324.08020	1.4
356.47220	0.4
365.08716	0.9
367.11609	0.5
369.09970	1.1
377.08878	0.8
419.09927	6.8
420.10461	0.6
437.12561	3.2
438.13000	0.8
481.05215	0.7
481.11475	5.4
481.28149	0.8
482.11780	1.1
540.28772	2.9
541.13641	16.2
541.21857	1.3
541.29669	1.6
542.13708	2.8
542.20941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.6
59.01264	6.8
60.63143	0.5
62.55720	0.5
69.03345	2.2
69.46556	0.5
71.01281	1.6
71.57439	0.7
72.99223	0.9
81.03371	0.5
83.01279	0.9
83.04888	0.6
85.02833	4.3
87.00777	13.7
89.02360	0.7
93.03352	3.3
93.56758	0.5
96.95920	0.6
97.02859	2.7
99.00842	0.7
101.02332	0.9
108.02106	0.7
109.02854	1.2
111.00782	3.4
111.04446	1.9
113.02380	1.4
115.00288	0.6
117.03375	11.0
118.49570	0.6
119.04943	34.1
120.05296	0.9
121.02880	2.6
123.04411	1.0
126.01977	0.5
129.01860	13.6
129.02773	1.0
130.02141	0.5
132.02104	22.8
132.05692	0.8
133.02995	2.6
133.06508	2.1
134.03668	22.7
135.04497	6.7
136.04829	0.5
137.02354	2.3
139.03923	1.4
139.37537	0.5
145.02890	42.8
146.03220	1.9
149.06071	3.7
155.03456	0.7
159.04459	0.9
160.01607	100.0
161.02301	8.2
161.06038	5.6
163.03957	32.8
164.04283	1.7
165.01927	0.5
173.04541	1.4
174.03194	0.8
175.03963	86.2
176.04309	4.4
177.05624	0.7
178.02679	3.7
179.03465	4.1
180.03987	0.5
183.02963	1.7
187.03986	1.8
187.78627	0.6
191.05586	9.9
191.07138	1.1
193.05038	16.3
194.05305	1.0
201.04007	7.1
202.02686	2.0
205.05002	4.1
217.05045	13.6
218.05351	0.9
219.05028	1.6
229.01495	0.8
233.08130	0.7
235.06117	6.9
236.06429	0.8
237.05649	0.6
238.06241	0.6
238.10020	1.2
243.05009	0.7
253.12372	0.6
256.04880	1.2
267.06628	1.1
277.07413	0.8
294.05096	0.7
295.06274	1.0
303.08783	3.5
308.49850	0.5
321.04401	0.8
339.05246	3.5
347.07813	4.0
353.08780	1.6
365.08835	29.0
366.09418	3.4
377.08948	3.9
395.09943	2.3
407.10019	1.0
453.11951	1.1
495.08960	0.6
497.22318	0.6
512.12817	0.6
541.13562	37.6
542.13733	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	540.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	24.7
60.01582	0.7
61.98722	1.3
63.72394	0.6
71.58680	1.0
78.95793	18.5
80.96421	1.1
140.36478	0.8
152.99524	4.0
168.04231	3.6
173.78241	0.7
191.05638	1.0
224.06946	7.9
241.21741	100.0
242.07945	1.8
242.22107	10.5
264.63919	0.7
300.88687	0.7
395.46573	0.8
429.68723	0.8
432.79898	0.7
466.29477	72.6
467.29800	9.1
541.27142	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.6
57.03338	0.8
58.00484	0.3
59.01265	100.0
60.01604	0.9
61.98722	0.8
68.99681	0.2
69.03342	0.5
69.31998	0.2
70.88632	0.2
71.01273	8.3
71.04922	0.2
72.01608	0.2
72.99200	0.4
73.02829	2.0
75.00774	0.2
78.95815	0.2
83.01278	2.5
85.02839	5.0
87.00784	0.8
89.02329	1.9
89.02761	0.2
93.03363	0.4
95.01303	0.9
96.95933	0.5
97.02850	1.7
99.00764	1.0
101.02348	4.1
109.02895	0.6
111.00851	0.2
111.04408	0.3
112.01575	0.2
113.02356	6.6
115.03883	0.3
119.03446	0.6
120.99618	0.2
121.02922	0.3
125.02354	0.4
131.03427	0.2
133.02818	0.2
134.03630	0.3
135.04427	0.3
143.03468	0.8
145.02934	0.7
159.02977	0.4
161.02426	0.9
161.04488	1.4
162.02711	0.3
163.04056	0.2
165.05437	0.3
165.09213	0.4
173.04636	0.3
191.05612	0.7
195.06618	0.9
211.13327	0.3
225.05249	0.4
249.56441	0.2
253.04689	1.1
273.22330	0.4
305.04596	0.5
317.21301	0.4
321.75488	0.2
335.22339	1.3
347.18619	0.2
354.16916	8.2
355.17456	0.8
372.17987	1.4
373.18289	0.3
405.26816	0.2
414.19168	1.0
435.27637	0.8
449.25949	0.3
453.28857	0.2
456.88806	0.3
461.25543	0.6
479.26614	20.2
480.26852	3.0
497.27655	4.7
498.28137	0.9
539.20813	0.4
539.28900	6.9
540.22089	0.3
540.28351	1.0
541.27148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2876
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
51.84712	0.2
55.01786	1.1
57.03333	1.6
58.00483	1.3
59.01266	59.9
60.01606	0.7
60.99710	0.2
61.98715	1.4
67.01771	0.3
69.03336	0.9
71.01272	26.6
71.58373	0.2
71.58741	0.3
72.01624	0.4
72.99203	1.7
73.02838	12.5
74.03171	0.3
75.00780	0.3
78.95803	0.3
81.03348	0.2
83.01279	3.9
83.04924	0.4
84.01627	0.2
85.02845	10.3
85.99993	0.3
87.00780	1.6
89.02341	14.1
93.03396	0.7
95.01289	2.3
96.95942	0.5
96.97018	0.2
97.02871	0.6
99.00794	1.5
99.04440	0.7
101.02349	16.7
102.02699	0.4
113.02360	11.1
114.02688	0.4
117.03397	0.5
119.03423	4.9
119.04826	0.9
121.02898	0.2
123.08089	0.5
125.02389	0.9
131.03456	0.7
133.02888	0.6
134.03677	0.4
135.04451	0.5
137.02373	0.4
143.03474	0.7
145.02888	0.9
149.04489	0.3
149.06015	0.2
152.99512	0.3
158.06032	0.2
159.02902	0.2
160.01596	0.2
161.02426	1.1
161.04482	1.7
163.03973	1.1
167.10724	0.4
173.04552	0.5
175.04010	0.2
179.03456	0.4
179.05598	0.7
191.05577	1.8
193.05013	0.4
244.23459	0.2
271.02524	0.2
291.23364	0.5
317.21432	0.3
335.02094	0.3
335.22296	0.9
339.05258	0.3
347.18796	0.2
393.13376	0.2
453.28601	0.4
479.26639	8.2
479.32379	0.4
480.26944	1.3
497.27679	6.3
498.27939	0.9
539.28735	100.0
540.29083	18.8
540.37701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2888
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
55.01773	1.2
57.03348	1.3
58.00496	0.4
59.01267	100.0
59.14979	0.3
60.01606	1.1
69.03345	0.7
69.59914	1.1
69.60353	1.1
71.01273	21.5
72.01608	0.4
72.99203	0.9
73.02837	6.7
75.00803	0.3
83.01281	2.7
84.02074	0.3
85.02847	9.1
85.99999	0.4
87.00784	1.1
89.02341	6.2
90.02676	0.3
95.01298	1.4
97.02864	1.3
98.20513	0.6
99.00793	3.0
101.02351	15.7
111.00826	0.3
113.02360	8.4
117.03362	1.4
119.03411	2.3
119.04964	1.2
123.14629	0.3
125.02385	0.4
131.03450	0.3
143.03468	1.4
143.04971	1.3
144.05312	0.8
145.02890	3.3
145.05736	0.3
146.03229	1.2
147.03349	0.3
151.03986	0.4
159.02953	1.8
161.04506	13.3
162.04918	0.8
163.03963	1.5
164.04251	0.6
173.04564	0.3
179.05579	0.4
183.10617	0.3
187.04028	0.4
232.90128	0.2
273.22232	0.3
285.70670	0.3
299.20093	0.6
317.21323	7.9
318.21576	1.0
335.22488	1.7
479.26602	47.9
480.26935	9.6
497.27325	0.6
539.15503	0.6
539.28833	9.9
540.29279	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	539.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	1.2
57.03339	1.0
57.89828	0.2
58.00480	0.5
58.37152	0.2
59.01267	100.0
60.01606	1.2
61.98715	0.4
69.03347	0.4
70.63137	0.2
71.01273	20.8
72.99208	0.7
73.02838	6.8
74.02372	0.4
74.46976	0.2
75.00760	0.3
80.64349	0.2
82.02890	0.3
83.01289	3.0
85.02847	10.5
85.03362	0.5
87.00779	1.2
89.02340	5.6
93.03365	0.3
93.61362	0.3
95.01295	1.6
97.02855	0.7
99.00771	2.4
99.04426	0.4
101.02354	16.9
102.02701	0.4
106.60030	0.2
109.02909	0.7
111.00849	0.3
111.04503	0.3
113.02362	9.5
116.45227	0.3
119.03410	2.3
119.04941	0.5
121.02869	0.3
125.02404	0.9
125.03497	0.4
129.01886	0.5
131.03394	0.3
133.02922	0.3
134.03664	0.3
135.04474	0.7
137.02437	0.3
137.06039	1.0
143.03433	1.5
145.02879	0.3
159.02922	2.5
161.04506	15.0
162.04831	0.5
163.04016	0.6
165.06706	0.3
173.04495	0.4
179.05586	0.5
181.05013	4.0
182.05356	0.3
191.05588	0.7
205.03503	0.5
209.05624	0.4
225.05206	0.6
249.13268	0.4
253.04649	1.9
259.04056	0.3
271.05829	0.8
273.22342	0.4
305.04562	1.5
317.21280	8.6
318.21649	0.9
335.22086	0.4
430.61282	0.3
432.79532	0.3
478.50040	0.3
479.26617	56.1
480.26926	9.0
480.33939	0.3
497.28348	0.4
508.17322	0.5
539.20856	0.4
539.28644	2.4
540.28864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62951	0.4
55.01768	0.8
57.03344	0.8
57.12876	0.4
58.00482	0.5
58.02874	0.9
59.01268	72.0
60.01588	1.1
61.98727	1.3
65.67104	0.4
69.03336	0.7
69.33479	0.8
69.33884	3.4
71.01276	12.1
72.01575	0.4
72.53982	0.4
72.99214	0.6
73.02843	3.9
74.02372	2.8
80.04983	0.4
81.03352	0.8
82.02892	1.3
83.01293	2.2
84.00817	0.4
85.02850	6.2
87.00786	1.3
89.02346	4.3
93.03351	2.0
95.01294	1.4
95.04910	1.1
96.04454	1.9
97.02859	0.7
97.03976	1.6
97.06487	0.4
97.26147	0.4
98.02394	1.1
99.00780	2.4
99.04416	2.3
99.05550	1.7
100.00317	0.8
101.02353	9.4
106.11834	0.4
107.04951	0.8
108.04468	2.3
109.02868	7.3
109.04000	0.6
109.06515	4.0
110.02375	0.5
111.00813	0.4
112.03956	1.2
112.07611	1.3
113.02368	6.3
117.03391	4.9
118.03744	2.2
119.03440	1.2
119.04936	8.2
120.05268	2.4
121.02882	6.6
122.03648	0.6
122.06033	1.2
124.03972	2.2
125.02448	0.7
125.03506	4.1
125.04381	0.5
125.04681	0.4
126.05505	0.7
127.05035	0.6
132.59010	0.4
133.02896	0.6
134.03624	0.5
135.04469	7.0
137.02454	0.6
137.06029	33.3
137.07091	2.6
138.05521	0.6
138.06432	0.9
139.05098	1.7
140.07106	0.8
143.03429	1.3
143.04918	1.9
144.05293	0.9
145.02896	12.8
146.03258	5.6
147.03442	2.4
147.04475	0.9
147.05569	0.9
148.33105	0.4
151.05045	0.5
152.03467	1.5
155.03323	0.4
155.08199	2.4
159.02893	0.8
160.00610	2.2
161.02397	0.8
161.04515	7.8
161.05829	0.7
163.03969	5.6
163.05179	1.0
164.04297	2.5
165.04462	1.5
165.06673	5.2
166.05042	0.6
167.04622	0.5
173.04480	1.4
178.01399	1.2
181.05028	100.0
182.05353	4.4
183.07768	0.8
187.04041	0.6
188.04427	0.5
191.05611	1.7
196.02469	0.5
197.94168	0.5
201.04024	0.4
205.03470	0.6
209.05679	2.6
211.07628	0.4
213.14919	0.7
221.13657	1.9
225.05200	9.3
227.06873	0.7
249.13199	4.9
253.04700	24.2
254.05077	1.5
259.03940	1.1
267.14355	3.1
271.02826	0.5
271.05774	9.4
272.06122	0.8
287.03528	1.6
305.04553	17.2
306.04807	1.0
317.21262	5.0
318.21756	0.5
325.09317	1.5
335.22134	0.9
343.10498	1.1
367.38058	0.5
401.37747	0.5
435.08429	0.4
479.26624	29.6
480.27017	4.7
501.80344	0.4
533.01471	0.4
539.25049	11.5
540.25757	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	539.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.2
57.03335	1.1
58.00490	0.4
59.01266	100.0
60.01595	0.8
60.86033	0.3
61.98727	1.2
62.21845	0.3
63.63819	0.3
69.03352	0.9
70.98074	0.8
71.01272	14.8
72.99211	0.5
73.02837	5.4
75.00796	0.3
78.95818	0.4
83.01274	3.0
85.02847	7.1
86.00003	0.5
87.00793	1.0
89.02335	3.0
91.09241	0.3
95.01300	1.0
96.76996	0.3
97.02853	13.9
99.00784	2.4
99.04446	0.4
101.02351	15.2
102.02708	0.5
109.02900	0.4
111.00814	0.6
113.02359	6.9
119.03429	1.2
133.02870	0.8
134.03635	1.0
135.04469	0.8
137.02365	0.3
143.03445	0.6
145.72656	0.3
152.99536	0.3
157.55701	0.3
159.02975	1.3
161.02391	2.9
161.04483	5.4
162.02782	0.4
179.03444	0.5
189.01799	0.3
191.05620	1.2
201.01643	2.5
205.03508	0.5
217.10075	0.3
248.12329	0.3
265.83490	0.3
275.15094	1.3
311.22269	0.5
317.21146	1.9
331.19229	0.3
335.22256	0.8
373.18896	0.5
435.27692	1.5
477.21124	0.6
479.26608	37.9
480.26929	5.6
497.18228	0.6
539.28644	2.0
540.28650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14032	0.6
57.02507	0.6
59.01276	3.4
61.98703	1.3
63.96115	1.0
69.88741	3.0
71.01270	7.1
73.02840	2.1
74.03060	0.6
78.95792	1.1
78.98476	5.3
79.54190	0.6
79.95621	9.4
80.96407	59.3
81.03330	0.9
85.02834	2.8
87.00770	2.8
89.42587	0.6
94.97978	13.6
96.95903	1.4
97.02889	0.7
98.20606	0.6
101.02336	2.2
102.78225	0.6
106.97974	2.7
122.97474	3.2
125.02363	3.2
128.04108	0.6
133.95837	0.6
134.97505	5.1
136.99069	1.1
144.17900	0.7
148.99086	5.9
152.98567	5.6
161.02327	0.7
164.71231	0.6
164.98602	9.7
172.26271	0.6
174.99205	0.7
177.87891	0.6
191.05557	1.5
206.99644	2.9
210.27666	0.6
225.00763	16.9
226.01082	0.6
239.20154	2.0
239.30852	0.7
241.21800	2.6
299.04523	3.4
466.29510	0.9
538.76440	0.8
539.25433	100.0
540.25818	14.3
540.34052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14032	0.6
57.02507	0.6
59.01276	3.4
61.98703	1.3
63.96115	1.0
69.88741	3.0
71.01270	7.1
73.02840	2.1
74.03060	0.6
78.95792	1.1
78.98476	5.3
79.54190	0.6
79.95621	9.4
80.96407	59.3
81.03330	0.9
85.02834	2.8
87.00770	2.8
89.42587	0.6
94.97978	13.6
96.95903	1.4
97.02889	0.7
98.20606	0.6
101.02336	2.2
102.78225	0.6
106.97974	2.7
122.97474	3.2
125.02363	3.2
128.04108	0.6
133.95837	0.6
134.97505	5.1
136.99069	1.1
144.17900	0.7
148.99086	5.9
152.98567	5.6
161.02327	0.7
164.71231	0.6
164.98602	9.7
172.26271	0.6
174.99205	0.7
177.87891	0.6
191.05557	1.5
206.99644	2.9
210.27666	0.6
225.00763	16.9
226.01082	0.6
239.20154	2.0
239.30852	0.7
241.21800	2.6
299.04523	3.4
466.29510	0.9
538.76440	0.8
539.25433	100.0
540.25818	14.3
540.34052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.2
58.00489	3.2
58.99484	9.7
59.01267	100.0
61.98713	4.7
69.03323	2.0
69.29623	3.6
69.30019	17.9
71.01273	62.0
72.99199	8.7
73.02846	8.3
74.98999	2.1
75.00781	4.4
83.01292	4.4
85.02840	20.0
86.56159	2.1
87.00790	9.4
89.02342	81.9
93.03372	13.8
95.01295	1.8
96.95938	3.3
97.02869	4.3
98.20506	3.8
98.86436	1.9
99.00771	4.8
99.04410	2.6
101.02351	32.2
102.98511	42.1
109.02863	3.6
111.04462	4.6
113.02361	26.5
119.03436	35.5
119.04919	12.0
120.99583	5.6
121.02901	3.0
122.06076	2.7
123.04425	4.3
125.02369	2.0
131.03427	6.1
133.02902	3.1
134.03693	5.3
135.04446	4.2
137.02414	3.4
140.88687	1.8
143.03430	8.8
145.02919	11.1
149.04497	5.1
152.07047	2.2
153.05489	5.2
155.03482	4.0
161.02414	5.5
161.04498	13.8
163.00616	4.5
163.03964	12.7
173.04559	14.0
177.01927	12.4
179.03732	2.9
179.05577	40.9
179.07140	2.2
191.05597	37.0
191.07184	9.0
192.05971	2.0
193.05017	3.5
205.08733	5.1
207.10313	4.2
211.09750	2.1
223.05995	2.2
263.03232	2.1
284.03232	4.9
285.04138	5.3
313.18195	68.3
314.18506	7.5
327.08618	2.3
377.28662	2.4
469.43326	2.0
479.25229	4.8
493.24530	27.8
494.25043	6.6
539.25232	20.3
539.34467	9.5
540.26233	3.7
540.34857	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	539.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.6
57.03321	1.1
58.00470	1.3
59.01266	22.3
61.98698	1.0
64.66762	0.5
69.03323	2.3
69.90018	2.5
71.01268	27.8
72.37139	0.6
72.99195	2.0
73.02833	8.3
75.00762	1.4
76.72775	0.6
81.03369	0.9
81.71587	0.5
83.01271	3.0
85.02837	10.1
87.00768	1.8
89.02335	23.1
90.02618	0.7
93.03348	1.6
95.01283	1.4
96.95909	1.5
97.02874	2.9
99.00784	12.3
99.04365	0.6
100.61190	0.6
101.02348	22.3
102.02705	0.8
102.92779	0.7
108.02091	0.7
109.02850	0.7
111.00837	1.1
113.02366	9.0
115.03897	3.8
119.03391	4.0
123.04402	0.6
125.02348	4.4
131.03391	3.2
134.03667	0.7
135.04433	1.1
137.02367	1.5
139.06464	0.6
143.03436	1.9
149.04498	7.7
150.03246	0.7
151.03873	0.6
159.02908	0.7
161.02460	1.0
161.04469	4.6
173.04501	1.0
179.03542	0.9
179.05557	1.6
185.11787	2.5
191.05583	6.0
201.72409	0.5
221.06555	0.7
233.06781	3.3
245.13936	1.0
251.07724	0.7
253.07140	0.6
293.08780	1.6
347.17157	12.9
348.17590	1.3
368.68799	0.6
389.56638	0.6
412.23248	0.7
479.21448	100.0
480.21826	15.2
493.23090	1.2
515.41907	0.7
533.11896	0.8
539.23218	0.8
540.13611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13997	0.4
55.01762	1.5
57.03310	1.4
58.00464	0.7
59.01271	15.3
61.01693	0.5
69.03339	0.6
71.01275	18.7
71.58990	0.8
72.01615	0.6
72.99177	1.7
73.02838	7.3
75.00743	1.7
76.20226	0.4
78.95776	0.4
83.00880	0.4
83.01279	5.3
85.02350	0.7
85.02845	10.1
85.99957	0.8
87.00784	2.1
89.02340	5.9
90.02628	0.4
93.03347	2.9
95.01265	1.8
95.04910	0.4
96.95884	1.1
99.00794	2.4
99.04346	0.4
101.02350	16.2
102.02680	1.0
108.02072	1.2
109.02844	0.5
111.00743	1.4
111.04409	0.5
113.02372	6.0
114.02738	0.5
119.03386	1.8
119.04929	0.9
121.02217	0.4
121.02894	4.1
122.03670	4.9
129.01875	0.8
132.02094	1.1
133.02896	5.5
134.03607	1.7
135.04407	1.3
136.01559	1.4
137.02367	1.2
140.77003	0.4
145.02895	0.5
146.03633	0.9
147.04399	0.9
148.16673	0.4
149.02391	27.0
149.06053	2.1
150.03177	36.2
151.03598	1.5
157.08604	0.5
157.78123	0.5
161.02385	0.5
161.04536	0.7
162.03142	0.6
163.03824	0.8
164.04765	6.2
165.05536	30.2
166.06296	4.3
167.07050	1.5
173.04517	1.2
177.05515	1.4
178.05847	0.4
179.03403	0.4
180.04222	1.8
181.08684	4.9
191.05629	2.5
195.06625	10.3
196.06905	0.6
209.08066	0.6
213.57074	0.4
225.78593	0.4
233.87239	0.6
249.13440	0.4
283.09778	1.0
314.11621	5.7
315.12253	1.5
329.14029	11.6
330.14383	1.0
343.14078	12.1
344.14636	0.9
357.15588	0.5
381.17853	0.9
476.17075	0.7
479.21356	0.8
491.19348	100.0
492.19693	14.5
492.26950	0.7
521.20490	0.7
538.29755	1.4
539.21570	26.5
539.29565	2.1
540.22028	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	539.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.1
57.03336	1.8
58.00484	5.0
59.01268	85.1
69.23397	9.3
71.01273	74.7
72.99197	7.1
73.02845	4.3
73.17593	0.8
75.00768	3.5
83.01286	3.7
85.02852	14.8
87.00774	8.9
89.02342	100.0
90.02669	1.5
93.03366	6.4
95.01290	4.4
96.95909	2.4
97.02868	1.1
99.00787	3.0
101.02354	45.8
102.02693	1.5
108.02075	2.7
109.02847	1.3
113.02363	33.4
114.02706	1.4
119.03426	36.5
119.04829	2.0
121.02869	6.3
122.03672	6.8
123.04495	4.1
125.02370	2.1
131.03409	4.8
133.02864	4.9
134.03687	1.7
135.04453	2.3
136.01573	1.8
137.02412	1.7
143.03438	9.5
145.02884	3.1
146.03621	1.5
147.04430	1.9
149.02400	19.5
149.04474	3.4
149.05948	1.7
150.03172	58.5
151.03748	2.0
157.14667	0.9
161.02385	3.8
161.04506	9.2
162.03185	18.9
163.03835	2.0
164.04723	5.0
165.05530	61.0
166.06305	13.6
167.05322	0.9
173.04486	2.1
177.01860	4.7
177.05521	19.0
178.06133	0.8
179.05592	24.0
179.07159	1.8
180.04308	6.0
180.05684	1.3
181.08675	9.1
191.05588	9.5
195.04810	1.9
195.06602	34.7
196.07011	2.0
229.14534	1.6
267.07294	1.2
281.08063	0.9
283.09769	0.9
314.11697	3.1
327.08582	1.3
329.14120	6.8
330.14157	1.1
343.14093	10.0
344.14603	1.5
479.21545	4.5
491.19342	65.1
492.19812	6.9
495.17386	1.1
497.22406	1.9
539.22302	15.7
540.22638	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	539.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27370	0.2
52.17877	0.2
55.01775	0.8
57.03340	1.3
58.00488	0.8
59.01266	100.0
60.01603	9.9
61.01689	5.9
61.98713	0.5
69.03343	0.9
71.01272	18.9
71.58152	0.3
72.01608	3.3
72.99200	15.7
73.01686	0.8
73.02835	9.8
73.83018	0.2
73.99549	0.3
74.03177	1.5
75.00768	0.5
75.03268	0.6
81.03379	0.2
83.01276	2.9
83.04931	0.6
84.01621	0.7
85.02844	6.2
85.03361	0.4
86.03197	1.0
87.00772	1.0
89.02337	7.6
90.02664	1.0
91.02780	0.6
93.03365	1.2
95.01292	1.6
96.01631	0.5
97.02857	1.3
98.03201	0.4
99.00784	0.9
99.04423	6.5
101.02349	9.6
102.02689	1.8
103.02777	0.8
105.44438	0.2
106.55961	0.2
107.04920	0.2
109.02875	0.4
111.04472	0.2
113.02361	12.6
114.02685	3.1
115.02803	1.0
117.03354	1.0
119.03490	2.4
119.04945	61.2
120.03764	0.3
120.05270	2.8
121.02917	0.9
121.03669	0.2
123.04440	0.4
125.02338	0.5
131.03439	1.1
132.03754	0.2
133.02884	0.5
134.03632	0.3
135.04446	0.7
137.02435	0.2
143.03445	1.0
144.03812	0.4
144.88046	0.2
145.02884	3.2
145.03931	0.4
146.03281	0.2
149.04504	0.6
149.05984	0.2
155.03481	0.3
159.04427	0.2
161.02423	0.7
161.04509	2.8
161.05882	0.3
162.03247	1.1
162.04803	1.1
163.03954	37.1
164.04289	2.0
173.04469	0.6
173.05853	0.2
175.07622	0.3
176.77434	0.2
179.03415	0.3
179.05620	0.5
180.05913	0.3
181.06013	0.2
191.05608	1.5
191.10768	0.4
192.11125	0.3
202.05109	0.3
205.05011	0.2
219.06641	0.7
220.06183	0.6
277.07336	1.3
307.08395	0.5
315.19449	0.3
316.19873	0.3
325.09198	0.4
333.20663	0.7
334.21173	1.2
335.21576	0.9
337.09424	0.3
381.08154	0.4
409.11288	0.2
439.12531	10.7
440.12973	1.6
457.13620	4.7
458.13974	0.5
477.24982	1.1
478.25400	3.9
479.25653	9.9
479.31387	0.2
480.25623	0.5
496.26443	1.6
497.26743	3.7
538.27448	0.7
539.17743	10.0
539.27545	2.5
540.18262	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	539.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33864	0.2
55.01773	0.4
57.03340	1.1
57.10200	0.2
59.01263	4.9
61.98716	0.9
67.01776	0.3
69.03345	0.5
69.31595	1.6
69.32011	0.5
71.01260	2.1
71.04906	0.4
72.99198	26.6
73.02833	1.0
73.99529	0.4
78.95820	0.4
83.01271	0.4
83.04896	0.3
83.05955	0.2
85.02849	1.7
87.00791	0.3
89.02354	0.6
93.03345	1.9
95.01302	0.3
96.95905	0.5
96.96853	0.2
97.02862	0.6
98.20567	0.3
99.00799	0.7
99.04420	8.4
101.02325	1.2
108.02121	0.2
111.00783	0.4
111.04449	0.4
113.02363	3.7
114.02625	0.2
116.95351	0.2
117.03387	1.3
119.04945	100.0
120.05275	4.5
120.99577	0.5
121.02888	1.3
122.99155	0.4
123.04405	0.4
123.08069	0.2
131.03416	0.6
133.02887	0.8
134.03670	0.5
134.06010	0.5
135.04453	0.8
137.02354	0.4
139.39816	0.2
143.04958	0.2
145.02892	4.6
151.03891	0.2
152.07167	0.9
152.08224	0.2
155.03516	0.2
158.06015	0.2
159.04416	0.4
160.04048	0.5
161.02406	1.7
161.04498	0.3
161.06087	0.3
162.03163	1.6
163.03957	63.6
164.04291	3.5
173.04576	1.3
175.07564	0.5
179.03413	0.6
185.05988	0.3
191.05617	1.7
192.06552	0.8
193.05112	0.2
205.05090	0.4
209.08218	0.3
219.06606	0.7
263.13107	0.2
277.07288	1.9
307.08301	1.2
309.10080	0.2
325.09250	0.8
325.12454	0.3
329.17703	0.8
335.22211	0.4
337.09314	0.3
347.18594	1.1
348.19360	0.2
357.14728	0.6
367.10516	0.3
381.08423	0.2
439.12552	18.4
440.12817	2.1
457.13602	10.7
458.13895	1.5
479.32776	0.2
495.18842	0.2
539.17810	19.1
540.18176	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	539.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.3
59.01267	8.4
60.01579	0.3
61.01678	0.2
61.98719	0.4
66.22646	0.2
69.03347	0.2
71.01276	3.2
72.99200	1.0
73.02845	1.7
75.00785	0.3
83.01293	0.3
85.02855	1.7
87.00764	0.8
88.98704	0.4
89.02341	0.7
89.03861	0.3
91.00253	0.3
93.03375	0.6
94.27748	0.2
95.01283	0.2
95.04923	0.3
97.02845	0.3
98.20555	0.5
98.77047	0.2
99.00810	0.4
101.02351	2.7
105.03367	0.4
111.00747	0.2
113.02353	1.4
117.03389	0.9
119.03401	0.4
123.04462	0.4
129.09137	0.5
132.02061	1.7
133.02884	36.1
134.03339	1.1
135.04457	10.5
136.01660	0.2
136.04761	0.6
137.02377	0.6
145.02864	0.9
151.03914	0.2
159.04448	0.9
160.01767	0.2
161.02391	100.0
162.02731	5.5
163.03976	0.6
173.04517	0.4
179.03473	6.6
180.03748	0.4
191.05673	1.1
198.54820	0.2
203.03484	0.5
239.42297	0.2
270.80328	0.2
271.02441	0.3
290.42758	0.2
335.22400	0.8
349.94983	0.2
453.17819	2.2
454.18494	0.4
479.26117	0.4
479.32327	3.2
480.32800	0.5
495.18851	45.4
496.19165	7.4
539.28796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94050	1.0
58.00457	1.1
59.01267	43.4
70.70899	2.8
71.01271	40.8
72.99195	2.6
73.02853	3.8
74.59184	0.9
83.01283	1.3
85.02852	6.2
87.00770	6.6
89.02338	61.7
95.01279	2.1
99.00773	1.6
101.02348	36.3
102.02698	1.6
113.02359	26.2
119.03413	12.2
131.03433	2.4
141.01903	1.3
143.03438	6.5
149.04456	1.4
161.04512	14.3
179.05574	60.0
180.06067	1.1
181.91035	1.2
192.97699	1.0
215.03416	0.9
233.06580	1.3
250.94940	1.0
254.77698	1.2
323.09949	15.3
324.10385	2.0
341.10938	8.2
359.07681	3.9
377.08621	2.0
383.12048	1.7
390.53812	1.0
469.89816	1.0
503.16312	100.0
504.16675	11.0
539.13971	45.1
539.26422	1.1
540.14056	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	537.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.9
57.03325	1.1
58.00499	0.9
58.31143	0.6
58.44674	0.6
59.01267	42.3
59.86015	0.6
61.98717	2.7
69.03365	1.1
70.76661	1.7
71.01271	14.6
72.99210	1.1
73.02840	8.0
75.00755	5.4
81.03352	4.2
83.01275	3.5
85.02843	8.9
87.00773	1.3
87.04343	0.6
89.02358	1.6
90.36501	0.6
93.03339	1.2
94.21905	0.5
95.01270	1.2
95.04932	1.1
96.10912	0.6
97.02838	1.6
97.06492	7.3
99.00774	2.1
101.02355	11.6
109.06506	5.8
109.48468	0.5
111.04390	0.7
113.02356	10.1
115.00299	0.7
115.62283	0.6
117.01955	0.6
117.03390	4.1
119.03401	0.9
119.04959	5.6
121.06590	0.6
123.08050	1.2
125.02386	1.4
127.06620	1.0
127.07568	20.3
128.07874	0.9
131.03397	1.1
135.04408	1.0
135.08067	2.6
137.02415	0.7
137.54477	0.6
142.98030	1.2
143.03433	1.5
143.04980	0.8
145.01819	1.0
145.02899	13.0
146.03250	1.1
147.04456	2.5
147.11734	1.3
155.03430	1.1
161.04509	2.4
161.05843	0.7
163.03951	5.3
163.11235	3.3
165.12799	7.7
166.13333	0.7
167.03484	0.7
167.10666	0.7
173.04445	1.1
183.13867	6.6
187.03931	0.7
189.12802	7.9
191.05565	3.7
195.08134	2.4
203.05605	1.4
211.07605	0.6
221.06709	0.7
271.20749	20.1
271.23700	1.1
272.21097	1.8
289.21808	60.2
290.22226	6.0
294.86160	0.6
313.21918	1.6
315.19653	4.3
316.20157	0.9
331.19147	0.8
333.20798	100.0
334.21127	13.0
357.20737	6.9
358.21179	1.6
375.21851	2.2
477.11545	0.7
537.14227	1.0
537.25806	18.3
538.25958	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.6
57.03334	1.4
59.01264	100.0
60.01586	1.1
61.98720	0.3
69.03339	0.8
69.90651	0.8
69.91061	0.6
71.01270	10.7
71.04911	1.7
72.99221	0.5
73.02837	4.3
81.03342	0.4
83.01273	1.5
83.04913	2.0
85.02842	4.9
87.00764	0.7
89.02345	3.3
93.03344	0.4
95.01279	1.1
97.02850	2.2
97.06503	1.4
98.20685	0.2
99.00780	0.7
99.04432	0.3
101.02337	5.6
107.99299	0.2
109.02855	1.9
109.06513	0.7
111.04417	0.6
113.02356	8.5
114.02716	0.4
119.03426	0.7
123.08070	1.2
125.02357	0.7
125.09671	0.4
131.03413	0.2
135.04439	0.3
143.03447	0.7
145.02846	0.6
149.09711	0.3
161.02420	0.5
161.04492	3.7
163.03978	0.5
163.11258	0.3
173.04474	0.4
175.11292	0.4
179.03490	0.3
179.05594	0.2
189.09201	0.4
189.12793	0.2
191.05583	1.0
191.10661	0.6
203.05530	0.4
203.14354	0.3
204.02528	0.3
205.16022	0.7
221.15443	0.2
223.17058	1.3
225.48590	0.2
245.18980	0.4
249.15021	1.8
271.20779	0.5
273.18674	0.8
277.43893	0.2
287.20264	0.3
289.18085	0.8
289.21579	0.5
297.18600	0.2
315.19739	5.0
316.20026	0.6
318.18442	1.2
333.20779	35.3
334.21118	3.8
375.21869	0.5
393.21393	1.8
396.81827	0.2
435.22598	1.5
436.22369	0.3
459.23700	0.6
477.25031	12.6
478.25436	2.2
495.26001	1.9
496.26160	0.5
537.26831	4.1
538.26971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2719
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
52.98796	0.1
55.01768	0.5
57.03335	0.4
58.00482	0.6
59.01265	100.0
60.01594	1.0
69.03333	0.3
71.01270	15.1
72.01626	0.2
72.99203	0.6
73.02838	8.6
74.03204	0.2
83.01284	2.5
83.04920	0.6
85.02849	3.8
86.11683	0.1
87.00790	0.6
89.02337	7.6
95.01270	1.2
97.02847	1.3
99.00765	0.7
101.02345	9.3
102.02707	0.3
113.02361	12.9
114.02711	0.4
119.03424	2.5
122.03676	0.2
125.02385	0.5
131.03452	0.9
143.03468	1.3
149.04500	1.0
155.03488	0.3
161.02467	0.2
161.04503	5.3
161.05836	0.3
162.04842	0.2
165.09166	0.2
179.05615	1.2
191.10730	0.7
203.05620	0.2
221.06773	0.2
229.71280	0.2
249.15384	0.1
315.19717	0.8
333.20782	1.7
334.20682	0.2
477.25034	14.0
478.25443	2.8
495.26071	5.4
496.26447	0.9
537.27185	3.2
538.27661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.5
57.03341	0.9
58.00475	0.2
59.01266	100.0
60.01601	1.2
61.98727	0.6
68.63902	0.2
69.03351	0.8
71.01271	10.4
71.04933	0.2
71.56739	0.4
72.01611	0.3
72.68876	0.2
72.99207	0.7
73.02836	3.0
75.00774	0.6
76.68024	0.2
77.03878	0.2
78.95805	0.4
79.23234	0.2
81.03359	0.6
82.61772	0.2
83.01274	1.7
83.04963	0.6
85.02840	4.1
87.00800	0.8
89.02334	2.2
93.03360	1.6
95.01297	1.1
95.04916	1.4
96.95926	0.5
96.99250	0.5
97.02850	1.1
97.06535	0.4
98.00019	0.3
99.00774	1.7
99.04420	0.2
101.02348	4.8
108.02141	0.3
109.02895	0.7
109.06503	0.3
111.00781	0.5
111.04449	0.6
113.02361	5.8
115.00288	0.5
115.04004	0.2
117.03355	0.4
119.03440	0.5
119.04958	1.3
121.02889	0.6
121.06544	0.3
123.04474	0.2
123.08102	0.7
125.02390	0.5
127.04018	0.2
129.01891	0.3
131.03462	0.3
133.02885	1.8
134.03674	0.6
135.04491	1.5
137.02402	0.5
139.03960	0.6
143.03442	0.8
145.02904	1.2
147.04483	0.8
159.02997	0.4
160.01582	0.3
161.02420	3.5
161.04497	2.1
162.02786	0.3
163.03917	1.2
163.07654	0.3
163.11290	0.3
165.12857	0.4
173.04549	0.7
175.03983	0.4
179.03517	0.7
183.02917	0.2
188.08510	0.3
189.09209	0.3
189.12790	0.2
189.48689	0.2
191.05603	2.4
193.04990	0.5
195.08138	11.4
196.08495	1.0
201.16586	0.3
249.09181	0.3
267.10303	0.3
271.20795	1.0
281.03110	3.6
289.21747	2.1
290.22299	0.4
311.09296	0.5
315.19724	2.5
316.20203	0.2
329.17844	0.2
333.20792	7.1
333.24609	0.4
334.21341	0.8
341.05215	3.7
342.05737	0.4
343.28732	0.2
357.21112	0.8
417.23044	0.2
417.28616	0.3
429.22937	0.3
447.24042	0.3
459.23889	0.4
477.12564	0.6
477.25027	8.9
478.12665	0.3
478.25650	1.2
493.29010	0.3
495.26144	5.8
495.32883	0.4
496.26474	0.6
499.92572	0.3
537.28113	3.8
538.27258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.3
58.00503	0.3
59.01266	24.8
59.98412	0.6
61.98732	0.5
69.03335	0.8
70.02000	1.3
71.01269	6.7
72.99194	0.4
73.02836	8.4
77.51251	0.3
78.95791	1.4
81.03350	4.1
83.01282	2.5
83.04958	0.6
85.02840	2.6
87.00812	0.5
88.98714	1.4
88.99211	0.3
89.02352	0.8
95.01328	0.3
96.96882	0.3
97.02854	1.0
97.06490	7.6
99.04404	0.5
101.02348	8.0
107.04955	0.4
109.06500	5.4
110.06835	0.3
113.02364	2.7
115.03918	0.8
119.03404	0.7
121.06535	0.4
123.08076	1.4
125.02396	1.1
125.09672	0.4
127.07575	18.5
128.07883	0.6
131.03415	0.8
133.02925	0.5
135.04411	0.3
135.08095	2.4
143.03430	1.3
147.11758	1.0
149.04517	0.9
152.99550	2.4
155.03528	0.7
161.02412	0.8
161.04440	1.3
161.09703	0.4
163.11214	2.4
165.12810	8.4
166.13171	0.6
173.04530	0.3
173.09691	0.6
179.03490	0.5
181.12306	0.6
183.13872	6.5
184.14265	0.3
187.11269	0.6
189.12827	9.6
190.13126	0.7
191.05588	0.5
203.05621	1.2
205.12448	0.3
221.06648	0.4
250.12256	0.3
269.18988	0.3
271.20724	18.6
272.21100	2.0
289.21802	48.8
290.22101	6.0
309.21033	0.5
313.21707	0.5
315.19699	2.1
332.84393	0.3
333.20786	100.0
334.21130	12.4
357.20807	9.8
357.24765	0.2
358.21109	1.0
369.20923	0.4
375.21646	0.8
392.05545	0.3
399.21710	1.1
419.26758	0.3
537.26508	3.4
538.27130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33672	0.3
56.50385	0.3
57.03314	0.8
58.77361	0.3
59.01265	17.7
61.98718	2.3
69.03335	0.4
71.00907	0.5
71.01274	7.9
71.56888	0.3
72.99206	0.5
73.02831	2.7
78.95778	0.9
83.01270	0.6
85.02849	6.8
87.00761	0.5
88.98693	0.6
89.02332	2.1
93.03336	0.6
95.01299	2.1
97.02837	0.5
101.02345	6.4
113.02357	14.6
119.03464	1.7
120.99578	2.2
125.02349	0.8
131.03424	1.2
133.02852	0.7
135.04454	0.5
135.36032	0.3
136.80745	0.3
143.03412	3.6
145.02867	0.7
148.48706	0.3
149.04468	1.1
161.02422	2.1
161.04501	3.7
163.07652	0.3
169.02176	0.3
191.05598	1.5
221.06691	1.2
250.87770	0.3
271.20847	0.7
287.20258	0.9
289.21799	48.5
290.22165	5.3
305.01025	0.4
315.19717	12.3
316.20081	1.4
333.20789	100.0
334.21127	13.3
347.22296	0.7
375.21848	3.8
376.22021	0.7
393.43265	0.3
477.25201	0.7
537.26764	2.3
538.27234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03338	1.1
58.00489	0.5
59.01265	100.0
60.01607	1.2
60.99196	0.3
61.98726	0.3
63.57221	0.3
67.01822	0.4
69.03353	1.7
71.01271	14.4
71.57431	0.4
71.57807	0.4
72.23542	0.3
72.39349	0.3
72.99196	1.4
73.02837	4.5
75.00755	0.5
76.84902	0.3
78.95808	0.8
79.95638	1.0
80.96427	0.9
83.01279	2.7
83.04939	0.5
85.02841	7.1
87.00774	2.0
88.98694	3.3
89.02342	4.8
89.02837	0.4
91.00276	0.4
93.03352	1.4
95.01279	1.7
95.82566	0.3
97.02852	8.6
97.06502	0.3
99.00787	2.0
101.02353	9.3
101.03010	0.6
109.02903	0.7
111.00787	0.5
111.04427	0.4
113.02362	9.1
114.02703	0.4
115.03945	0.4
117.03344	0.5
119.03439	1.6
119.04945	1.6
121.02877	0.6
123.08105	0.4
125.02387	1.7
131.03442	0.4
134.03696	1.2
137.02354	0.6
143.03426	2.5
145.02876	2.2
148.05182	0.3
149.04614	0.4
149.06032	0.4
153.01921	0.3
155.03442	0.7
155.10767	0.5
159.02913	0.6
161.02443	0.4
161.04526	5.4
163.03955	1.8
163.07628	0.3
163.11247	0.3
165.09201	1.0
167.03458	0.3
173.04541	2.2
178.02687	0.7
179.05667	1.0
185.00813	0.5
189.09193	0.4
191.05606	3.4
191.10738	1.4
193.05029	2.4
199.09799	0.6
209.11842	0.7
213.14944	2.8
225.00833	0.3
227.03532	0.5
255.03001	0.6
283.12064	0.3
284.03366	1.0
285.04178	1.2
297.18832	0.8
303.19778	1.0
315.19748	4.2
319.08362	0.6
320.17880	0.3
333.20786	19.2
334.21164	2.7
334.24286	0.3
341.11078	0.6
347.18774	0.5
357.20938	0.7
365.48700	0.3
375.21988	0.7
429.23071	0.4
459.24274	0.8
477.25061	25.5
478.25412	4.5
495.26178	10.0
496.26651	1.6
537.20471	1.2
537.26392	2.0
537.33856	2.2
538.33832	0.3
548.96637	0.3
564.27582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24113	0.2
55.01770	1.1
57.03332	1.5
58.00482	0.7
59.01266	100.0
60.01598	1.1
61.98725	0.3
67.01779	0.3
68.99684	0.3
69.03361	1.0
71.01273	13.5
71.04911	0.5
71.37307	0.6
72.99216	0.9
73.02837	3.8
75.00742	0.3
83.01279	3.6
85.02843	9.1
85.03358	0.5
86.00004	0.3
87.00775	2.1
88.98708	1.1
89.02338	3.8
93.03372	0.8
95.01279	1.6
95.04939	0.7
97.02866	0.5
99.00789	1.5
101.02346	7.0
101.03006	0.4
111.00788	0.6
111.04455	0.4
112.01580	0.4
113.02355	8.1
114.02729	0.3
117.03412	0.8
119.03503	1.0
119.04950	3.6
121.02927	0.4
124.01685	0.2
125.02420	0.4
131.03470	0.3
132.94276	0.2
133.02916	0.3
133.10175	0.4
135.04428	0.3
139.03958	0.8
143.03409	1.0
143.05054	0.3
145.02908	2.0
145.10214	0.3
147.04475	1.0
147.11778	0.7
159.03030	0.3
161.02402	0.6
161.04480	1.8
163.03979	1.9
179.03464	0.3
188.08392	5.9
189.09149	1.6
189.10506	0.2
190.09517	0.3
191.05576	1.1
191.10780	0.2
195.08142	2.7
196.08545	0.3
209.08124	0.4
219.05179	0.3
231.14088	0.3
243.04994	0.3
243.13982	0.3
249.09315	0.9
249.14987	1.3
261.15085	0.6
267.10373	1.4
281.03104	0.6
289.21924	0.6
311.09488	0.9
315.19910	0.5
351.21841	0.3
375.07559	0.3
393.19287	9.6
394.19769	1.4
405.19260	14.0
406.19458	1.5
411.20325	2.0
423.20355	2.8
433.26178	3.1
434.26462	0.6
439.91895	0.3
447.55844	0.3
451.27228	2.7
452.27405	0.5
453.21533	1.6
459.23987	19.6
460.24432	3.2
465.21286	1.8
466.21573	0.4
477.12332	1.9
477.25061	8.5
477.30991	0.8
478.12595	0.3
478.25244	1.6
493.28473	0.9
494.28522	0.4
495.26279	1.4
519.25934	2.1
520.26404	0.3
537.14429	0.9
537.27222	6.8
538.27972	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12176	0.1
56.03286	0.1
57.03331	0.7
58.00490	0.4
59.01268	100.0
60.01603	1.1
60.99200	0.5
61.98722	0.1
64.60429	0.1
69.03349	0.5
69.39674	0.7
69.40100	0.6
71.01273	18.2
72.01628	0.3
72.99201	0.9
73.02841	7.4
74.03175	0.2
74.42048	0.1
75.00759	0.3
78.95789	0.1
81.03349	0.3
83.01280	3.1
83.04909	0.2
84.02097	0.2
85.02849	6.0
86.03157	0.2
87.00773	2.1
88.98702	2.7
89.02342	7.3
90.02675	0.1
93.03359	0.5
95.01295	1.7
95.04924	0.4
97.02855	4.3
98.22876	0.1
99.00780	1.5
101.02351	12.9
102.02654	0.3
109.02854	0.4
111.00720	0.1
111.04397	0.1
113.02362	14.9
114.02671	0.3
115.03896	0.4
119.03430	2.6
119.04893	0.7
123.08083	0.2
124.01578	0.2
125.02357	1.1
131.03432	0.7
133.02798	0.2
134.03615	0.5
135.04419	0.2
139.03844	0.4
142.29482	0.1
143.02388	0.2
143.03448	3.1
144.03706	0.2
145.02808	0.1
147.04381	0.3
149.04433	0.6
149.05916	0.2
155.10739	0.1
159.02870	0.4
161.04509	9.2
162.04837	0.2
163.03979	0.6
163.11171	0.2
165.09073	0.5
173.04503	0.1
177.12778	0.1
178.02609	0.4
179.03384	0.4
179.05571	1.5
187.07277	0.1
189.09064	0.3
191.05490	0.5
191.10779	1.0
191.14272	0.2
193.05017	0.7
195.08133	2.2
196.08420	0.3
199.09709	0.2
203.05527	0.3
206.99774	0.3
209.11745	0.2
214.06313	0.1
231.13963	0.2
248.10246	0.1
249.09074	0.2
259.20343	0.2
261.22052	0.3
267.10217	0.3
281.02820	0.4
287.19925	0.2
297.18509	0.3
303.19492	0.3
305.21255	0.8
311.09274	0.1
315.19724	2.8
316.19775	0.3
333.20804	15.0
334.21118	1.7
345.16962	0.2
357.20291	0.5
375.21432	0.3
389.16098	0.2
403.21240	0.3
429.22629	0.3
477.11679	0.2
477.25034	5.5
478.25000	0.8
495.26147	8.5
495.32846	0.4
496.26398	1.4
537.20807	0.3
537.27118	1.7
538.26813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.5
57.03341	0.9
58.00475	0.2
59.01266	100.0
60.01601	1.2
61.98727	0.6
68.63902	0.2
69.03351	0.8
71.01271	10.4
71.04933	0.2
71.56739	0.4
72.01611	0.3
72.68876	0.2
72.99207	0.7
73.02836	3.0
75.00774	0.6
76.68024	0.2
77.03878	0.2
78.95805	0.4
79.23234	0.2
81.03359	0.6
82.61772	0.2
83.01274	1.7
83.04963	0.6
85.02840	4.1
87.00800	0.8
89.02334	2.2
93.03360	1.6
95.01297	1.1
95.04916	1.4
96.95926	0.5
96.99250	0.5
97.02850	1.1
97.06535	0.4
98.00019	0.3
99.00774	1.7
99.04420	0.2
101.02348	4.8
108.02141	0.3
109.02895	0.7
109.06503	0.3
111.00781	0.5
111.04449	0.6
113.02361	5.8
115.00288	0.5
115.04004	0.2
117.03355	0.4
119.03440	0.5
119.04958	1.3
121.02889	0.6
121.06544	0.3
123.04474	0.2
123.08102	0.7
125.02390	0.5
127.04018	0.2
129.01891	0.3
131.03462	0.3
133.02885	1.8
134.03674	0.6
135.04491	1.5
137.02402	0.5
139.03960	0.6
143.03442	0.8
145.02904	1.2
147.04483	0.8
159.02997	0.4
160.01582	0.3
161.02420	3.5
161.04497	2.1
162.02786	0.3
163.03917	1.2
163.07654	0.3
163.11290	0.3
165.12857	0.4
173.04549	0.7
175.03983	0.4
179.03517	0.7
183.02917	0.2
188.08510	0.3
189.09209	0.3
189.12790	0.2
189.48689	0.2
191.05603	2.4
193.04990	0.5
195.08138	11.4
196.08495	1.0
201.16586	0.3
249.09181	0.3
267.10303	0.3
271.20795	1.0
281.03110	3.6
289.21747	2.1
290.22299	0.4
311.09296	0.5
315.19724	2.5
316.20203	0.2
329.17844	0.2
333.20792	7.1
333.24609	0.4
334.21341	0.8
341.05215	3.7
342.05737	0.4
343.28732	0.2
357.21112	0.8
417.23044	0.2
417.28616	0.3
429.22937	0.3
447.24042	0.3
459.23889	0.4
477.12564	0.6
477.25027	8.9
478.12665	0.3
478.25650	1.2
493.29010	0.3
495.26144	5.8
495.32883	0.4
496.26474	0.6
499.92572	0.3
537.28113	3.8
538.27258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2717
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
50.46909	0.4
51.42175	0.3
55.01772	1.9
57.03341	2.5
58.00491	0.9
59.01265	100.0
60.01603	1.4
64.74612	0.5
69.03346	1.3
71.01272	26.4
71.48096	0.5
72.99230	1.0
73.02835	8.4
81.03356	0.6
83.01274	4.6
85.02844	14.3
85.99998	1.0
87.00777	1.2
89.02325	5.0
93.03388	0.7
95.01294	3.1
97.02871	1.3
99.00785	3.5
101.02347	19.7
102.02705	1.1
111.00786	1.2
113.02357	11.7
117.03388	8.3
119.03445	1.5
119.04939	7.7
124.01588	0.7
125.02384	1.5
131.03427	0.5
143.03442	1.9
143.05025	0.7
145.02893	23.1
146.03285	1.2
147.04477	2.6
159.02899	1.0
161.04504	5.8
163.03960	9.8
163.05191	0.7
164.04312	0.6
187.03885	0.4
191.05597	1.2
229.08620	0.4
229.72183	0.4
271.20667	0.8
273.80215	0.4
289.18484	0.6
289.21814	15.0
290.21994	2.1
315.19641	2.6
333.20789	26.6
334.21045	3.6
375.21979	1.6
433.13004	0.7
433.26077	1.4
451.27109	7.3
452.27509	1.3
456.03098	0.5
459.23856	2.3
477.12366	0.8
477.25021	12.0
478.25317	1.7
495.26099	7.7
496.26468	0.5
519.25952	2.0
520.26227	0.6
537.13953	3.4
537.27155	96.0
538.14990	0.6
538.27490	15.5
555.92255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.6
57.03346	2.0
58.00482	1.1
59.01268	100.0
60.01608	1.8
61.98719	1.4
64.79623	0.6
67.24014	0.6
68.99721	0.7
69.03347	2.5
71.01273	30.7
71.16220	1.6
72.01608	0.8
72.99209	1.7
73.02845	7.6
75.00791	0.9
78.95809	2.4
81.03348	0.9
83.01284	6.4
83.04929	1.2
85.02845	13.3
86.03234	0.7
87.00774	5.4
88.98685	3.3
89.02343	16.3
89.02910	0.9
93.03362	23.1
94.03687	1.0
95.01286	3.8
95.04930	6.3
96.99233	2.4
97.02873	2.8
97.06486	0.9
98.00025	1.4
99.00794	3.6
101.02347	16.6
102.02711	1.0
108.02084	1.1
109.02869	1.6
111.00838	1.5
111.04441	2.5
113.02370	14.4
115.05444	4.0
117.03376	19.7
119.03609	4.9
119.04947	45.8
120.05286	1.3
121.02866	4.3
121.06521	1.3
123.04443	2.8
125.02440	1.2
129.01894	1.2
130.04182	2.5
131.03426	2.5
131.04980	2.7
133.02905	3.9
134.03654	1.1
135.04477	1.4
137.02396	1.7
139.00327	0.8
139.03940	4.2
143.03452	1.6
143.04965	26.0
144.05327	1.2
145.02893	46.6
145.06543	0.9
146.03256	2.5
147.04443	7.7
158.03705	0.9
159.02934	1.5
161.02406	0.7
161.04514	8.9
161.09727	1.0
162.03223	1.6
163.03964	30.1
164.04337	1.2
170.92799	0.6
171.04521	1.8
173.04530	3.9
175.04036	0.7
179.05582	9.6
179.06981	0.8
183.03000	2.1
185.06075	1.5
187.04033	0.8
188.08464	2.2
191.05583	7.3
195.06375	1.3
195.08145	21.4
195.09865	1.3
196.08508	1.8
199.07637	2.4
200.07950	0.7
201.03975	1.0
201.05647	2.4
206.07359	1.3
207.08112	1.7
219.05167	0.8
219.08099	4.5
220.08888	0.6
221.06671	9.2
221.09746	6.7
222.07092	0.6
222.10098	0.7
223.11278	0.6
223.16290	0.8
227.03448	1.8
229.05182	0.8
231.08290	0.6
241.08789	1.5
243.05110	1.6
247.07738	0.8
249.09258	35.8
250.09615	3.1
255.03078	3.5
263.07758	6.0
267.10321	8.1
268.10834	1.1
271.20523	0.8
281.03131	2.6
284.03418	3.7
285.04117	4.5
285.07172	0.8
289.21753	0.7
291.07440	0.7
291.10297	3.4
293.08261	11.4
294.08679	1.6
311.09344	15.2
312.09644	1.6
315.18362	0.7
333.20728	5.1
341.05441	0.9
375.21817	1.3
375.26529	0.6
393.19315	3.3
405.19177	3.6
433.13071	5.4
433.25809	1.0
447.09332	1.1
459.24042	7.0
460.24454	1.6
465.11490	1.8
476.24307	0.9
477.04956	1.0
477.12161	33.0
477.23654	34.9
478.12317	6.7
478.23904	4.1
495.25250	5.2
496.26257	0.7
537.14099	12.4
537.25665	6.0
537.34143	3.6
538.14545	2.4
538.26801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78331	0.6
55.01765	1.5
55.80603	0.6
57.03327	2.7
58.00483	3.0
59.01268	59.9
60.01588	1.3
61.98407	0.7
61.98713	3.5
69.03348	2.2
69.29038	7.8
71.01273	52.8
71.04890	1.0
72.01598	1.1
72.99210	4.5
73.02840	16.1
75.00760	3.6
77.17220	0.6
78.95808	2.8
79.86270	0.7
81.03375	1.3
83.01286	6.3
83.04915	1.0
85.02842	14.0
87.00776	32.9
88.98695	1.4
89.02343	63.9
90.02704	0.9
93.03357	4.9
95.01268	3.6
96.96861	0.9
97.02851	2.0
99.00785	11.9
99.04427	1.1
101.02348	33.9
102.02650	1.3
102.98502	0.8
104.52151	0.6
107.04945	0.9
108.02075	2.3
108.04362	0.7
109.02882	1.9
111.00768	1.6
111.04421	1.0
113.02363	27.3
114.02728	0.8
115.03917	1.8
117.01830	1.2
117.03395	2.3
119.03436	12.4
119.04938	8.7
121.02861	2.5
122.06003	0.7
125.02367	2.9
127.03963	0.8
129.01862	0.9
131.03435	7.2
133.02898	1.1
134.03658	1.1
135.04478	2.1
135.98311	0.9
137.02376	2.4
141.01904	1.1
143.03447	6.3
145.02893	7.2
148.03836	0.7
149.04503	23.9
150.04892	0.8
152.01074	3.8
152.07164	1.2
153.01825	2.2
155.03432	2.0
161.02403	2.4
161.04506	11.4
163.03964	5.4
163.14854	1.0
165.04083	0.7
167.12718	0.6
167.14337	1.2
173.04500	5.4
179.03453	0.8
179.03989	1.1
179.05573	11.6
179.06992	1.1
179.14311	1.2
183.13864	11.8
184.14156	0.8
187.07509	0.7
191.05605	12.3
191.14368	1.4
192.05949	1.4
193.15988	1.3
195.13866	10.9
196.14211	1.1
197.15436	3.0
207.14000	1.1
207.17522	1.8
209.13718	0.8
209.15402	4.4
213.14961	100.0
214.15317	7.4
221.06728	2.0
223.17029	1.2
227.03497	1.1
227.16547	8.0
237.14973	5.0
239.08331	1.5
241.17838	0.7
249.06287	1.1
249.14941	2.1
251.07700	4.4
251.16591	2.5
253.04857	0.8
255.03052	1.9
255.11554	0.8
255.16060	11.1
256.16245	0.9
267.16010	2.2
269.17648	1.5
284.03391	1.5
285.04071	2.4
287.18683	2.3
291.06332	3.2
291.56464	0.9
293.08795	1.1
300.18326	0.8
311.09702	1.3
315.18176	1.8
319.08246	2.2
323.09976	14.7
324.10147	1.4
341.10971	54.4
342.11230	4.3
389.16217	0.8
461.19275	1.2
477.23517	17.3
478.23978	2.8
479.28720	1.3
505.17966	1.4
512.84320	0.7
520.13684	2.3
537.18555	1.5
537.25604	20.2
537.32996	6.8
538.12964	0.7
538.26007	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	537.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98216	0.5
55.01773	1.6
57.03340	2.0
58.00489	4.7
59.01265	88.3
60.01597	1.8
61.98707	0.7
69.03327	1.0
69.26556	1.9
69.26981	4.0
71.01270	75.0
72.01592	1.5
72.99197	6.0
73.02845	3.3
75.00751	1.2
78.95797	1.6
81.03329	0.7
83.01266	3.7
85.02840	16.7
86.03173	0.8
87.00773	8.8
89.02338	100.0
90.02676	1.6
93.03351	4.3
93.81430	0.5
95.01279	4.7
96.95882	1.5
96.96834	0.8
97.02833	1.1
98.19823	1.0
99.00784	1.7
101.02351	37.1
102.02686	1.0
108.02058	1.4
109.02861	0.7
111.00774	1.0
111.04401	0.6
113.02361	28.5
114.02686	0.8
117.03348	1.9
119.03420	36.4
119.04847	1.9
119.28979	0.5
120.03778	0.7
121.02847	1.4
123.04417	1.2
125.02305	1.6
125.99553	1.3
127.03925	0.8
129.01854	0.9
131.03423	3.4
133.01280	0.6
133.02856	1.4
134.03625	1.6
135.04399	2.7
136.01559	0.7
137.02345	1.5
137.29211	0.6
143.03450	5.6
145.02884	7.3
146.03682	35.5
147.04283	3.1
149.02338	1.1
149.04500	3.2
150.03088	1.2
151.03879	1.8
161.01292	0.5
161.02428	7.1
161.04451	7.5
161.05978	9.9
162.03174	48.2
163.03706	4.1
164.04742	22.0
165.05324	1.7
172.46518	0.6
173.04442	2.0
177.02008	1.2
177.05542	37.3
178.05818	2.1
179.03735	1.0
179.05511	15.1
179.07040	32.5
180.04266	2.8
180.07448	1.8
191.05606	17.9
192.05867	1.7
195.06638	5.0
209.74785	0.5
236.75087	0.5
259.07013	0.6
284.47632	0.5
285.09119	0.7
325.10345	0.6
327.08746	0.8
327.12204	1.0
339.12494	3.0
346.09674	1.0
346.59689	0.9
357.11685	2.2
537.23035	1.3
537.29321	12.5
538.29010	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	537.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29594	0.4
56.17307	0.3
57.03338	0.5
59.01266	69.8
60.01598	0.5
60.99194	3.0
65.71078	0.4
66.66251	0.3
69.03339	1.0
69.39294	1.4
69.39719	1.6
70.11499	0.4
71.01276	9.0
72.99228	0.6
73.02858	1.3
75.00762	0.6
76.85034	0.3
77.03871	1.2
79.08760	0.3
80.02570	0.8
81.03369	0.8
83.01290	1.2
83.04916	1.1
85.02842	2.0
87.00781	1.0
88.98700	17.3
89.02345	3.3
93.03356	9.5
94.03707	0.4
95.01305	0.6
95.04928	12.5
95.05520	0.7
96.99227	0.9
97.02858	2.8
98.00004	4.4
99.00799	1.5
101.02341	2.5
108.02121	0.4
109.02867	1.0
111.00798	0.5
111.04439	3.8
113.02367	4.3
115.00295	1.4
115.05458	0.7
117.03364	2.8
117.06987	0.6
119.04947	24.0
120.05298	0.9
121.02875	2.4
123.00784	0.5
123.04434	0.5
131.04976	1.3
133.02890	2.3
134.03621	0.4
135.04471	1.5
136.78700	0.3
137.02399	0.6
139.03954	13.2
140.04227	0.4
143.03589	0.7
143.04973	3.1
145.02882	3.7
145.06538	0.7
147.04462	14.6
148.04800	0.6
154.13144	0.4
161.02408	2.7
161.04485	2.0
163.03958	22.2
164.04358	1.1
165.01886	0.4
173.04495	0.6
179.03445	1.1
180.03674	0.4
183.02979	1.8
191.05533	2.3
193.06654	0.7
195.08136	100.0
196.08469	8.1
199.69556	0.4
201.01715	0.5
206.07268	0.4
219.08165	1.2
221.09688	2.5
222.10098	0.4
223.11316	3.1
236.70491	0.4
243.04956	2.5
249.09239	5.8
250.09708	0.6
267.10312	9.8
268.10675	1.4
281.03079	15.4
282.03549	1.1
291.43167	0.3
293.08267	2.5
311.05768	0.8
311.09335	11.6
312.09756	1.8
315.19794	0.8
333.20731	3.2
341.05109	1.8
375.07040	1.9
433.12939	0.5
477.12045	20.0
477.24521	2.1
478.12576	3.0
495.26138	1.6
495.89484	0.4
511.46680	0.4
536.75861	0.7
537.14325	9.7
537.22974	0.6
537.26453	1.2
538.14740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50828	0.4
55.01762	0.7
57.03336	1.0
58.00497	0.6
59.01264	100.0
60.01602	2.1
60.99191	0.7
61.01669	0.7
61.98713	1.4
65.03838	0.7
67.01779	0.6
69.03335	2.5
71.01270	17.1
71.56178	0.5
72.01601	0.5
72.99200	1.3
73.02836	3.4
75.00765	1.3
77.03866	1.3
78.95781	0.8
80.02563	0.8
81.03355	1.5
83.01273	3.1
83.04912	1.5
85.02846	6.6
87.00771	4.2
88.98697	5.8
89.02343	6.2
93.03358	16.0
94.03717	0.6
95.01280	2.6
95.04924	13.4
96.99216	1.4
97.02851	4.2
97.03813	0.5
97.99987	4.8
99.00782	2.0
99.04424	0.6
99.11076	0.5
101.02354	6.3
103.03925	0.7
108.02081	5.2
109.02856	2.1
111.00772	2.1
111.04431	4.7
113.02355	5.6
113.49980	0.4
114.02685	0.7
115.00283	1.3
115.05438	1.2
117.03379	8.6
119.03522	1.0
119.04943	36.8
120.05280	1.9
121.02878	4.8
121.06515	0.9
123.04436	3.3
125.02367	1.6
127.03881	0.6
129.01831	0.8
130.04205	0.7
131.04971	1.9
132.02116	0.9
133.02882	12.5
134.03279	2.7
135.04443	5.9
136.04735	1.3
137.02359	1.9
137.05069	0.6
137.06001	0.8
137.76373	0.4
139.00294	0.7
139.03943	12.2
143.03496	0.5
143.03885	0.6
143.04944	4.3
145.02893	13.6
145.06514	1.2
146.03374	0.5
147.04456	18.1
149.02312	0.5
150.03146	0.7
151.07632	0.7
152.01099	10.3
153.01752	0.9
157.04913	0.4
158.03659	0.7
159.04433	0.5
161.02394	24.5
161.04381	2.4
161.05876	0.8
162.02727	7.7
163.02942	1.8
163.03969	28.5
163.06041	1.0
164.04294	1.4
165.05455	0.6
167.03452	13.9
171.04510	1.2
173.04507	2.1
175.04033	0.6
177.01855	0.7
179.03461	3.9
181.06482	0.6
183.02977	3.7
191.05624	5.1
191.07159	1.1
193.05078	0.8
193.06677	1.0
195.08131	95.7
196.08467	7.3
199.07619	0.7
201.04001	2.3
205.08496	0.7
206.07358	0.6
207.08151	1.3
207.10143	0.7
219.05101	1.6
219.08084	2.4
221.09731	6.9
222.10123	0.6
223.11330	4.2
224.11656	0.5
225.11269	2.1
237.09193	1.2
241.08601	0.5
243.05009	5.0
249.09238	10.8
249.11478	0.8
250.09436	1.0
255.02901	0.6
261.05771	0.5
267.10309	18.7
268.10574	1.6
281.03085	16.5
282.03421	1.3
291.10233	2.4
291.12622	1.8
293.08289	3.5
294.08524	0.5
311.09308	27.0
312.09702	3.4
313.18134	2.9
315.18042	0.8
331.19089	0.7
332.19662	0.6
333.20749	2.5
339.05408	0.7
361.14716	0.5
365.09338	0.5
369.15344	1.1
429.10785	2.8
433.12814	1.9
434.14099	0.6
459.23932	1.1
476.23611	1.1
477.12024	25.9
477.24207	4.4
477.30765	3.2
478.12415	3.9
494.24356	0.7
495.25516	1.6
536.22589	3.2
536.30090	0.8
537.14008	14.5
537.22467	11.2
538.14404	2.8
538.22009	1.0
563.21606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69026	0.2
55.01781	0.4
57.03337	0.3
59.01266	18.6
60.01601	0.4
61.01714	0.2
61.98711	0.6
68.99715	0.7
69.03359	1.6
69.76982	0.2
70.81893	0.7
71.01279	2.4
73.02834	0.8
77.03864	0.3
78.95837	0.2
81.03376	0.3
83.01272	1.8
83.04893	0.2
85.02837	1.8
87.00769	8.3
89.02342	0.6
89.03864	0.5
93.03341	2.1
95.01285	0.3
95.04945	0.9
97.02852	1.4
99.00781	0.6
99.16116	0.2
101.02335	1.5
105.03393	0.5
109.02873	0.6
111.00797	2.8
111.04453	0.4
113.02384	1.1
115.05452	2.2
117.03379	34.4
118.03707	1.2
119.04944	34.1
120.05279	1.5
121.02874	2.0
123.04414	0.4
131.05005	0.2
132.02090	1.7
133.02890	27.5
134.03210	11.1
135.03423	2.7
135.04454	5.9
136.04790	2.6
137.02379	0.9
137.05025	0.5
139.03917	0.5
141.01901	0.5
143.04967	38.2
144.05312	1.9
145.02890	100.0
146.03235	5.0
147.04456	11.4
148.04839	0.6
157.05075	0.4
157.06482	0.3
159.02893	0.2
159.04443	0.5
161.02393	70.3
161.05995	6.5
162.02730	34.5
163.02870	8.2
163.03973	35.1
164.03142	0.3
164.04305	1.5
165.01865	0.4
178.87523	0.2
179.03455	3.2
180.03741	1.7
181.03970	0.7
183.02943	0.6
185.06052	1.0
187.03978	16.5
188.04330	0.8
191.05608	0.5
199.07678	0.7
201.04025	11.1
202.04372	0.5
205.05086	0.3
211.07700	0.3
215.07144	0.5
217.05107	0.7
239.36935	0.2
241.08656	0.4
243.05095	0.4
247.57465	0.2
313.07217	0.7
329.07077	0.2
331.08228	0.8
333.09741	0.2
333.20703	0.8
349.09338	6.9
350.10120	0.4
365.10739	0.5
389.08997	2.1
391.10654	0.4
417.08057	0.3
417.28790	0.3
425.93124	0.2
433.12961	1.6
434.96698	0.2
459.23944	0.4
477.12079	2.5
477.25372	0.5
477.31143	0.4
478.12506	0.5
536.22290	19.9
537.14154	12.3
537.22601	53.4
538.14587	2.0
538.22900	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	537.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16936	0.2
59.01268	9.6
68.99710	0.3
69.03349	0.6
70.48265	1.0
71.01277	0.6
83.01302	1.5
85.02889	0.4
85.65997	0.3
87.00771	2.9
93.03362	1.6
95.01249	0.2
95.04941	0.6
97.02847	0.8
109.02901	0.5
111.00787	2.6
111.04405	0.3
113.02351	0.4
115.00268	0.3
115.05467	1.0
117.03381	35.0
118.03719	1.5
119.04948	30.1
120.05300	1.5
121.02852	1.4
123.04490	0.5
127.07603	0.6
137.02332	0.4
143.04968	15.4
144.05281	0.7
145.02893	100.0
146.03242	5.4
147.03290	0.6
147.04456	8.8
148.04813	0.4
161.04752	0.2
161.06039	1.4
162.03188	0.6
163.03963	38.5
164.04337	2.1
165.01892	0.3
177.01913	1.0
178.02269	0.5
179.42715	0.3
183.02971	0.3
184.02983	0.3
185.06122	0.6
187.03979	6.3
188.04454	0.5
195.08127	0.5
199.07681	0.6
201.04031	3.6
211.93071	0.3
213.05260	0.3
215.07138	0.6
217.05045	0.8
241.08665	0.3
244.57475	0.3
289.21838	1.3
313.07352	0.7
331.08490	0.4
333.20834	2.2
349.09262	2.0
365.10327	0.8
377.64069	0.3
389.08755	0.8
389.13608	0.3
405.13641	0.4
433.12875	1.4
437.99991	0.3
477.12064	2.6
537.14154	11.9
538.14594	2.6
547.77075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22490	0.4
51.67649	0.4
55.01830	2.3
57.03395	3.4
58.00540	2.0
59.01326	48.3
60.01655	0.5
61.98764	0.9
66.94035	0.5
67.01839	0.4
69.03408	1.2
69.41062	1.0
69.41470	2.6
70.36298	0.4
71.01346	40.3
71.04982	1.2
72.01654	0.6
72.99280	4.2
73.02914	9.7
74.03248	0.4
75.00831	1.4
78.95879	3.4
80.17778	0.4
81.03411	0.5
83.01365	6.8
83.05008	1.4
84.02142	0.5
85.02365	1.2
85.02844	18.8
87.00772	6.2
87.04437	0.5
88.98817	0.5
89.01837	1.4
89.02340	26.5
90.02726	0.5
93.03370	2.4
95.01290	3.4
95.04993	0.6
96.95995	0.7
96.96941	0.8
97.02951	1.3
97.06488	2.5
99.00785	4.2
99.04484	0.5
101.02350	30.1
102.02771	1.0
102.98560	0.8
104.49323	0.4
105.01884	0.4
107.05010	0.5
109.06587	1.7
111.00909	1.4
111.04503	0.4
111.08167	1.9
112.04719	0.5
113.02361	16.4
114.02755	0.4
116.92845	0.8
117.03452	0.5
119.03425	10.5
119.05041	2.1
121.02878	16.2
121.06628	1.5
121.10135	3.7
122.03239	0.5
123.08155	1.0
125.02478	1.0
125.09708	0.6
127.07687	0.5
129.01979	1.3
131.03555	1.6
133.02974	1.5
134.03764	1.2
135.04539	1.9
137.02504	1.4
137.09746	0.8
138.06885	1.3
139.07584	10.3
139.11243	0.5
140.08037	0.7
141.01978	0.6
141.09227	0.5
143.03534	1.9
145.02997	0.9
149.04613	1.1
149.09727	0.7
151.11337	0.7
152.01198	0.9
153.09253	0.6
155.10793	1.0
159.03062	1.5
161.02444	2.8
161.04510	5.1
163.04088	1.9
165.04018	0.5
167.10735	2.0
169.12402	0.5
173.04529	3.4
175.03970	0.5
179.03551	1.7
179.05605	3.8
187.13498	1.1
191.05585	9.0
193.05096	0.6
203.12874	0.7
207.98907	0.6
209.31081	0.4
231.10361	0.5
235.17162	0.8
255.19713	2.5
267.19730	1.3
279.19818	1.8
285.20807	2.0
297.20819	0.8
313.18393	0.7
315.21829	24.6
316.22238	2.8
331.18994	0.9
343.24918	2.4
355.25095	0.9
373.26031	1.6
413.14566	1.2
431.26569	0.5
447.26132	1.9
475.22034	2.5
475.28372	0.4
476.22415	0.7
477.27161	100.0
478.27560	13.5
485.63828	0.4
505.30505	2.6
517.30219	4.9
535.23425	3.6
535.31305	21.0
536.17383	0.8
536.23755	2.0
536.31732	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	535.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.7
57.03333	1.4
58.00477	4.6
59.01266	92.3
60.01598	1.1
61.98716	0.8
69.03342	0.9
69.88937	2.6
71.01271	68.0
72.01616	1.5
72.99201	7.1
73.02847	2.3
75.00776	1.1
78.95788	0.9
81.03356	0.7
83.01276	3.1
85.02844	13.0
86.37739	0.4
87.00775	4.9
89.02340	100.0
90.02690	1.5
93.03390	2.2
95.01280	3.8
96.95912	2.0
97.02871	0.8
99.00783	1.3
99.86248	0.4
101.02348	41.7
102.02709	1.1
107.03373	0.6
113.02360	29.3
114.02732	0.8
119.03423	44.4
120.03768	1.2
125.02375	1.4
128.03453	0.5
131.03432	5.4
134.03682	0.5
135.04468	0.9
135.20934	0.5
137.02399	0.9
143.03448	8.7
145.02852	0.5
149.04506	5.3
159.02898	0.5
161.02435	1.0
161.04514	9.5
162.03174	0.9
162.04811	0.4
163.72929	0.4
173.04535	1.8
177.05551	0.9
179.05586	23.7
180.05922	0.7
191.05595	7.8
192.06024	0.6
197.06090	1.2
241.10924	0.5
267.06876	0.5
272.08884	0.6
306.07721	0.5
327.08987	0.9
335.61359	0.4
355.21402	1.8
356.22046	0.5
373.22412	0.9
468.89117	0.4
475.21530	1.0
535.14600	3.1
535.27826	48.6
536.14789	0.8
536.28430	8.2
546.99231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3138
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01769	1.8
57.03342	2.0
58.00488	2.9
58.74853	0.3
59.01269	51.0
60.01594	0.5
69.03362	0.8
70.96590	1.1
71.01275	35.7
71.04926	0.4
72.01640	0.3
72.99201	2.6
73.02840	8.1
74.16444	0.3
75.00782	0.8
78.95785	2.2
78.96203	0.4
83.01289	3.8
85.02848	11.1
87.00772	2.8
87.04417	0.9
89.02344	34.1
90.02717	0.4
93.03384	1.2
95.01283	2.8
96.95927	1.3
96.96876	1.3
97.02853	0.5
97.06526	0.9
99.00783	1.6
101.02354	23.3
102.02706	0.6
111.00776	0.6
111.04357	0.3
113.02364	13.3
113.09702	0.6
116.92758	1.7
119.03432	12.4
119.04794	0.5
120.03752	0.5
121.10175	0.9
123.08086	0.6
125.02386	0.5
125.09661	0.7
131.03404	1.8
135.04462	0.7
137.09671	1.0
143.03430	2.5
143.10725	0.6
145.02946	0.7
146.03696	1.6
149.04512	1.1
149.09630	0.4
151.11285	0.8
153.09180	1.0
153.10356	0.3
155.10707	0.6
159.02971	0.7
161.02448	0.4
161.04536	2.8
161.05905	0.6
164.04773	1.0
167.10696	1.0
173.04510	0.9
179.05600	7.2
179.07149	2.1
185.11833	1.4
187.13414	1.8
191.05562	3.3
191.07126	0.4
203.12926	0.7
210.48672	0.3
214.17546	0.3
215.12914	1.1
216.13673	5.3
217.14365	1.1
233.09505	1.0
243.16087	0.6
245.17584	2.2
313.23798	0.5
319.23007	0.4
337.24075	1.2
343.24945	0.5
349.09653	0.4
355.24799	1.9
356.25281	0.5
373.26031	22.8
374.26428	2.9
378.19110	0.8
383.11511	0.6
505.30441	0.5
517.30157	0.8
535.31458	100.0
536.31818	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	535.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.9
57.03337	1.1
58.00481	1.2
59.01266	100.0
60.01607	1.2
61.98701	0.7
64.23876	0.3
67.01754	0.4
69.03356	1.5
71.01273	33.4
71.04929	0.4
71.57221	0.5
72.01615	0.8
72.99197	2.7
73.02837	27.3
74.03197	0.6
75.00769	3.1
78.95804	2.1
81.03371	0.5
83.01277	10.1
83.04922	0.6
85.02847	8.1
87.00775	3.3
87.05700	0.3
89.02338	12.2
90.02715	0.3
93.03367	3.0
95.01283	2.9
95.04964	0.4
96.95924	5.6
96.96889	1.0
97.02858	1.3
97.06472	0.6
98.95477	0.4
99.00770	2.1
99.04441	0.7
99.92480	0.4
101.02350	38.6
102.02689	0.5
102.98544	0.4
103.00270	0.6
109.02848	0.6
111.00831	0.4
111.04445	1.0
113.02361	19.1
114.02760	0.4
116.92800	1.4
117.01853	0.4
117.03320	0.4
119.03432	6.5
119.04964	1.2
120.03762	0.3
121.02911	0.5
125.02368	2.8
129.01871	0.7
131.03438	3.8
132.02106	0.6
133.02881	9.5
134.03598	1.1
135.04457	11.4
136.01591	0.7
136.04752	0.7
137.02399	1.4
143.03448	4.6
145.02890	0.5
147.02963	0.6
147.04405	0.4
149.04501	8.8
151.03989	0.9
155.03497	1.2
160.01640	0.5
161.02434	25.1
161.04547	16.0
162.02811	1.3
163.03935	0.7
173.04536	1.3
175.02533	0.6
175.03917	0.4
175.11247	0.4
179.03516	7.2
179.05606	1.6
179.49594	0.3
180.03891	0.4
188.04817	0.3
191.05568	6.5
191.07086	0.5
192.06044	0.8
193.03601	0.3
197.58296	0.3
201.96535	0.3
203.03723	0.5
203.05615	1.8
203.07246	0.5
210.67604	0.4
221.06657	6.7
222.07045	0.4
229.14531	0.4
249.06215	2.8
267.07254	6.9
268.07874	0.7
271.19308	0.4
305.16263	0.4
325.11014	0.5
329.05911	0.4
355.11969	0.5
365.08853	4.3
366.09201	0.7
373.26181	0.6
415.23526	0.9
433.24515	0.8
449.11328	0.7
475.25867	1.3
491.12088	10.9
491.24515	0.4
492.12497	1.9
501.20135	0.6
517.19934	0.6
535.19849	4.4
535.32288	3.9
536.21613	0.8
536.31580	0.5
541.82825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86479	0.3
55.01776	0.8
57.03342	1.1
58.00480	1.2
59.01266	100.0
60.01616	1.0
61.98719	0.4
65.60174	0.3
67.01785	0.5
69.03346	1.6
69.71036	2.1
69.71450	0.6
71.01271	31.3
72.01614	0.8
72.99194	2.4
73.02839	28.9
75.00771	2.4
78.95776	2.2
81.03378	0.8
81.98750	0.4
83.01279	8.7
83.04903	0.5
85.02850	8.9
87.00774	3.1
87.04441	0.4
89.02338	13.3
93.03381	1.7
94.35886	0.4
95.01295	2.1
96.95917	4.6
96.96893	1.1
97.02877	1.7
97.06500	0.5
98.20498	0.5
99.00790	1.7
101.02352	37.9
102.02708	0.8
102.98518	0.7
103.00326	0.6
107.04935	0.5
109.02832	0.7
111.00799	0.5
113.02364	20.4
114.02793	0.4
114.56333	0.4
114.98811	0.5
117.01897	0.4
119.03429	7.5
119.04951	0.8
121.02885	0.6
123.04575	0.5
125.02370	2.5
125.06068	0.4
129.01881	0.5
129.13507	0.4
131.03424	4.0
132.02144	0.7
133.02885	10.2
134.03639	0.7
135.04453	11.9
136.01593	0.8
136.04794	0.6
137.02353	0.8
143.03439	5.5
145.02881	0.5
147.02972	0.5
149.04504	10.7
149.05656	0.8
151.03999	0.6
152.01056	0.5
155.03441	1.1
159.04472	0.4
161.02431	28.3
161.04544	18.9
162.02827	1.2
163.04031	0.7
173.04526	1.1
175.02486	0.4
179.03458	7.3
179.05646	1.7
180.03845	0.7
186.12257	0.5
191.05598	4.2
192.05904	0.5
193.05023	0.5
203.05591	2.0
221.06659	7.3
249.06276	2.9
267.07275	6.6
355.12228	0.6
363.09396	0.5
365.08771	4.5
366.09360	0.6
373.26218	1.1
415.23642	0.5
475.25818	1.4
490.70496	0.4
491.12064	12.2
492.06339	0.4
492.12424	2.4
517.30664	0.7
535.19989	4.3
535.32050	4.1
536.31958	0.9
539.52264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16225	0.8
55.01756	2.7
57.03328	2.6
58.00468	2.1
59.01266	66.5
67.01772	0.8
69.03341	2.3
71.01272	42.3
71.60325	1.0
72.99199	4.3
73.02834	12.7
75.00771	1.6
78.95808	2.0
79.95619	0.9
80.96410	3.3
81.03345	2.1
81.69126	0.7
83.01276	7.7
85.02845	18.6
87.00787	9.6
88.00311	1.1
88.98686	1.0
89.02341	14.3
93.03365	2.8
95.01283	3.7
96.95915	1.2
97.02865	3.6
99.00789	4.1
101.01700	1.4
101.02354	23.8
102.98497	0.9
109.02863	12.2
111.00783	2.7
111.04435	6.6
113.02360	19.6
119.03419	4.2
119.04948	2.7
121.02872	1.3
121.06513	30.3
122.06821	1.6
125.02335	2.5
125.09628	1.0
129.01907	0.8
131.03404	1.1
133.02864	2.7
135.04446	3.1
137.02374	0.8
143.03462	1.9
145.02921	1.4
147.04442	0.9
147.08118	1.8
152.07121	1.3
159.02997	1.1
159.08122	0.7
161.02409	9.8
161.04521	2.4
161.09665	29.5
162.10001	1.9
163.04034	1.3
165.05522	1.5
167.03316	0.7
173.04491	3.1
173.05878	0.9
175.11209	1.5
176.08394	0.9
179.03435	2.0
185.09630	0.8
191.05595	9.4
193.05064	0.8
195.06633	1.0
214.13605	3.6
219.13934	2.3
221.15479	25.2
222.15750	1.9
227.03590	0.8
255.03123	1.4
257.11935	1.4
263.16489	1.0
283.02716	0.9
284.03287	1.7
287.20370	6.0
313.18192	1.6
331.19220	15.5
332.19571	2.0
347.17349	1.0
355.24985	2.5
365.19766	2.5
373.25940	3.5
381.19626	0.7
383.20782	2.6
431.24792	1.2
449.25821	1.5
475.23489	100.0
476.23654	16.2
493.24530	66.0
494.24844	12.3
517.30310	1.2
535.25391	54.4
535.31689	40.3
536.18280	1.2
536.25195	10.6
536.33301	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	535.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.2
57.03333	1.0
58.00474	1.1
59.01266	100.0
60.01605	1.1
61.98709	0.4
69.03348	1.3
71.01273	30.4
72.01626	0.6
72.99203	1.6
73.02839	26.0
74.03184	0.3
75.00777	0.7
78.95806	0.8
81.03362	0.6
83.01282	7.6
83.01784	0.4
84.01617	0.3
85.02846	6.7
87.00780	1.1
87.52689	0.2
88.98682	0.5
89.02341	8.8
93.03356	1.1
95.01297	1.7
96.96905	0.3
97.02858	1.8
97.06496	1.8
99.00778	1.2
101.02349	26.8
102.02696	0.6
108.02065	0.4
109.02872	1.5
111.04404	0.4
113.02364	14.0
114.02695	0.3
117.03407	0.3
118.98077	0.3
119.03433	2.9
119.04966	0.9
121.02875	25.8
122.03239	1.0
122.81030	0.2
123.04439	0.7
125.02400	1.0
131.03426	2.2
133.02927	0.7
135.04489	0.5
137.02365	0.5
137.06038	0.3
141.79385	0.2
143.03445	2.4
145.02914	0.8
147.08124	0.4
149.04482	2.1
155.03459	0.8
161.02457	1.9
161.04497	7.1
163.03947	0.5
167.03464	1.2
173.04590	0.8
179.03514	0.4
179.05580	0.5
191.05580	1.7
191.07101	8.5
192.05904	0.3
192.07520	0.6
193.05092	0.3
194.44919	0.3
205.08690	6.1
206.09100	0.9
207.10269	3.1
221.06406	0.3
221.08258	0.9
227.03523	0.5
255.03087	1.0
267.07318	0.4
283.09891	0.3
284.03281	0.4
285.04065	0.3
308.70938	0.2
311.31491	0.3
313.18179	29.4
314.18527	4.0
315.21936	0.5
331.19281	0.8
413.14606	1.6
475.23502	1.4
476.24155	0.3
477.27136	3.6
478.27695	0.6
493.24271	0.4
517.30780	0.3
534.63123	0.4
535.13251	1.0
535.25220	4.1
535.31830	2.5
535.63116	0.9
536.25311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40870	0.5
55.74962	0.5
57.03329	0.9
59.01266	21.9
60.01581	0.5
63.55780	0.5
66.51167	0.5
69.03347	1.0
69.30811	5.7
71.01271	7.0
73.02837	8.2
75.00768	5.2
78.95839	0.5
81.03376	0.9
83.01270	2.5
85.02850	2.1
97.02855	20.6
97.03484	1.0
97.06492	1.3
98.03196	0.7
101.02345	6.4
108.02090	0.5
109.02847	1.1
113.02367	2.1
121.06495	0.8
122.03677	2.7
123.04467	1.2
125.02383	0.6
127.07565	7.7
129.01846	0.6
130.76787	0.6
131.03363	0.6
133.02893	1.4
133.06577	0.5
135.04486	0.8
135.08058	1.0
152.99513	0.5
155.03403	1.0
159.08055	1.2
161.02419	4.2
161.04533	0.6
161.09669	1.7
165.09186	0.9
171.08070	0.5
173.09691	1.2
175.11221	1.1
177.01918	0.8
181.08711	1.0
187.11292	1.5
189.12823	19.6
190.13159	1.5
191.05571	0.8
191.07104	4.5
203.05611	0.7
203.14401	1.5
205.08678	14.7
205.12315	1.4
206.09071	1.3
207.10239	2.9
221.08101	0.6
243.13855	0.9
247.09692	1.0
269.19193	5.2
270.19244	0.6
281.15549	0.8
283.17108	3.8
283.20343	1.1
287.20288	1.5
295.16986	0.8
297.18851	0.6
309.18674	2.0
310.79321	0.5
311.20203	2.2
313.18164	76.0
314.18472	9.5
327.19690	3.8
329.21313	0.7
331.19220	100.0
332.19580	12.5
337.18265	0.7
343.19424	1.0
345.20898	3.3
346.21075	0.9
355.19232	12.3
356.19531	1.8
366.27023	0.6
373.20227	4.8
385.20309	1.2
397.20197	1.0
398.20340	0.5
403.21329	1.1
535.21436	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	535.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
59.01263	5.7
61.45546	0.2
61.98714	0.8
66.03933	0.2
69.03337	0.6
71.01273	2.9
72.99198	0.3
73.02837	1.6
77.07705	0.2
78.26140	0.3
78.95777	0.5
81.03356	0.4
83.01280	0.6
83.04919	1.7
85.02847	0.8
87.00744	0.2
89.02350	0.5
93.03362	0.3
97.02826	1.7
98.19765	0.7
99.00767	0.3
99.04395	0.4
101.02344	1.1
109.02838	1.2
110.03662	0.4
111.04466	1.7
113.02335	1.1
119.57656	0.3
125.02387	1.1
133.02832	0.5
135.04472	0.5
143.03404	0.3
152.99518	0.6
155.03462	0.6
161.02394	1.7
161.04546	0.3
191.05537	0.8
195.06720	0.3
203.05583	0.7
230.20197	0.3
242.13324	0.3
259.20761	1.1
285.18698	0.5
287.20236	5.7
288.20609	0.7
304.10550	0.2
313.18179	2.5
314.18384	0.3
325.91815	0.3
329.17023	0.3
330.53226	0.3
331.19211	100.0
332.19571	12.3
343.19278	0.4
345.20639	1.7
355.19162	0.6
373.20233	4.4
374.20813	0.7
403.21402	0.5
535.22064	0.7
536.25458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.9
57.03334	1.3
58.00480	1.3
59.01268	100.0
60.01597	1.3
61.98709	0.3
67.01788	0.3
69.03344	1.3
71.01273	34.4
72.01627	0.5
72.02038	0.2
72.99204	2.0
73.02841	33.8
74.03163	0.5
75.00768	0.9
75.92287	0.2
76.32044	0.2
81.03345	0.5
83.01283	11.8
83.04911	0.4
84.01600	0.2
85.02851	7.5
85.03364	0.5
87.00782	3.1
88.00304	0.5
89.02342	13.4
90.02636	0.2
93.03358	0.6
94.89021	0.2
95.01295	2.0
97.02844	1.5
99.00780	1.9
101.02351	37.4
101.66824	0.3
102.02714	0.5
105.83489	0.2
107.04925	0.2
108.02077	0.4
109.02864	1.0
111.04446	0.5
113.02363	15.0
114.02711	0.5
119.03426	5.4
119.04881	0.3
123.08101	0.7
125.01495	0.3
125.02331	1.6
126.65646	0.2
131.03432	3.1
135.04448	0.4
143.03465	3.7
145.02856	0.4
149.04495	4.2
152.01096	0.3
155.03438	1.0
161.02365	0.9
161.04510	11.0
161.09793	0.2
163.11241	0.9
163.68442	0.3
167.03418	0.6
173.04521	0.2
177.12811	0.3
179.05556	1.1
187.07758	0.2
191.05574	1.3
191.07162	1.1
203.05658	0.6
203.14430	1.2
205.08676	1.0
207.10316	0.2
207.99303	0.2
213.05351	0.2
221.06689	0.9
221.15459	0.5
249.06192	0.3
255.03012	0.3
255.72432	0.2
256.24332	0.3
267.07297	0.8
269.19247	0.5
287.20233	0.7
303.19611	0.4
313.18225	1.8
314.18509	0.4
324.84628	0.3
331.19235	34.3
332.19543	3.7
475.16669	0.5
475.23483	10.6
476.23776	1.6
493.24609	7.7
494.25098	1.3
535.25665	18.5
536.26227	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	535.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14383	0.6
53.38641	0.6
55.01761	1.7
57.03337	3.2
58.00463	0.9
59.01265	34.9
69.03348	1.6
69.24535	4.6
69.24971	2.9
71.01270	46.0
72.99190	2.6
73.02836	13.2
75.00750	1.5
79.95637	0.6
83.01270	6.4
85.02840	20.1
86.03172	0.9
87.00782	3.2
89.02338	12.7
93.03355	2.5
95.01264	3.2
96.95927	1.2
97.02854	1.8
98.45076	0.6
99.00788	5.0
99.04383	0.7
101.02345	35.3
102.02670	1.2
107.21532	0.6
109.02869	1.2
113.02362	17.5
119.03419	4.4
121.02865	1.3
121.06511	0.8
125.02357	2.5
129.01878	1.2
131.03467	1.0
133.02895	1.6
134.03673	1.8
135.04460	3.0
137.02359	1.1
143.03429	2.4
145.02785	0.9
151.11195	1.0
159.02977	3.2
161.02428	4.6
161.04500	18.3
161.09692	1.0
162.04837	0.8
165.36494	0.6
173.04526	1.9
175.03958	0.7
179.03426	2.0
179.05623	4.9
179.07030	1.2
191.05582	4.8
193.05093	1.0
221.06720	1.3
223.06163	1.3
263.07809	0.7
271.02634	0.6
299.02042	2.1
300.02618	1.0
313.16589	11.1
314.16855	1.0
323.09753	0.9
331.08307	0.8
331.19299	0.9
391.19934	0.8
433.21078	0.9
475.21948	100.0
476.22345	12.9
497.27948	4.4
535.22943	2.4
535.31677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98342	1.1
57.03320	0.9
59.01268	34.3
62.33635	0.9
69.03314	1.7
71.01272	15.3
73.02843	13.0
75.00773	4.8
80.64355	0.9
83.01277	1.1
85.02852	10.4
85.37064	1.0
89.02322	1.1
89.40573	1.0
95.01280	1.1
97.02857	19.6
98.19779	2.9
101.02352	36.8
109.02904	1.3
113.02362	20.8
122.03623	2.6
125.02355	1.5
127.07604	5.3
131.03427	7.4
132.00826	1.0
135.08098	1.1
143.03416	1.7
155.03462	1.2
161.04504	2.0
161.09653	1.5
177.29306	0.9
189.12828	22.9
190.13101	1.2
191.07112	5.8
192.07472	1.1
203.14394	1.1
205.08688	14.5
205.12236	0.9
206.09038	1.4
207.10202	2.7
224.92506	0.9
229.60742	1.1
243.13855	1.3
255.17760	1.3
269.19125	6.1
283.17123	5.1
287.20059	2.2
307.13263	1.4
311.20316	1.7
313.18173	96.5
314.18546	14.5
323.20428	1.2
331.19226	100.0
332.19604	12.1
345.20773	2.1
355.19153	6.7
356.19623	1.5
367.19067	3.4
373.20410	2.9
385.20187	1.6
415.21393	1.2
533.94849	0.9
535.25891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25758	0.1
57.03347	0.1
58.00504	0.1
59.01264	4.5
60.01614	0.1
64.86134	0.1
69.03358	0.1
71.01270	1.4
71.55924	0.1
72.01636	0.1
72.99216	0.1
73.02837	0.6
75.00768	0.1
77.03877	0.1
83.01266	0.3
85.02842	0.8
87.00775	0.2
88.98680	0.1
89.02344	0.4
89.03903	0.2
91.05463	0.1
93.03362	0.2
94.88033	0.1
95.01340	0.1
95.04924	0.1
97.02853	0.2
99.00788	0.3
101.02348	0.8
104.02602	0.1
105.03347	0.5
107.04946	0.2
108.02030	0.1
109.02869	0.2
111.00786	0.1
113.02370	0.6
115.01817	0.2
117.03392	0.8
119.03444	0.1
121.02881	0.2
123.04451	0.3
125.02456	0.1
129.01848	0.2
132.02092	2.0
133.02881	36.5
134.03288	1.3
135.04446	11.0
136.04764	0.5
137.02370	0.7
139.03937	0.2
141.01897	0.1
145.02890	0.2
147.04503	0.1
149.02440	0.1
159.02896	0.1
159.04472	0.2
160.01572	0.1
161.02388	100.0
162.02724	5.4
162.04173	0.1
163.04013	0.1
173.06007	0.1
175.03957	0.1
177.01845	0.1
177.05482	0.1
178.02676	0.3
179.03459	7.4
180.03796	0.4
185.00862	0.1
191.05615	0.3
203.03462	0.3
215.26155	0.1
219.02928	0.1
219.05002	0.1
221.04543	0.2
227.16512	0.1
284.56277	0.1
321.06235	0.3
381.08350	1.1
382.08475	0.1
491.11362	0.1
493.20709	0.3
535.21698	47.0
536.21991	8.2
554.13745	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	535.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21737	0.0
55.01760	0.1
57.03328	0.2
59.01266	3.2
69.73842	0.3
70.24937	0.1
71.01270	1.3
72.99181	0.1
73.02838	0.6
77.03857	0.1
83.01279	0.2
85.02840	0.7
87.00765	0.1
89.02325	0.1
89.03853	0.1
89.87641	0.0
93.03387	0.1
95.01291	0.1
95.04896	0.1
97.02849	0.1
99.00780	0.2
101.02348	1.0
104.02615	0.1
104.14751	0.0
105.03372	0.5
107.04920	0.1
109.02866	0.1
112.48089	0.1
113.02367	0.5
115.01830	0.2
117.03388	0.5
121.02886	0.1
123.04443	0.2
125.02456	0.0
132.02103	1.8
133.02882	35.1
134.03264	1.4
135.04448	8.1
136.04767	0.4
137.02368	0.6
139.03920	0.1
140.93272	0.0
143.03423	0.1
151.03983	0.1
159.03035	0.1
159.04474	0.3
160.01608	0.1
161.02390	100.0
162.02725	4.7
162.04150	0.1
163.03963	0.2
173.06119	0.1
175.03952	0.1
178.02692	0.2
179.03461	4.7
180.03804	0.2
185.99091	0.1
203.03491	0.3
247.06219	0.1
331.17838	0.1
475.19803	0.1
491.28699	0.2
493.20840	0.2
535.21936	50.6
536.22284	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	535.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42583	0.1
59.01270	2.4
59.92187	0.1
61.98717	0.2
67.71120	0.1
70.90001	0.1
71.01280	0.6
71.57862	0.2
73.02828	0.2
77.03858	0.1
81.03367	0.3
85.02855	0.3
89.02350	0.2
89.03869	1.6
90.04168	0.2
93.03366	0.3
95.04918	0.3
96.58689	0.1
99.00798	0.1
101.02343	0.4
102.98524	0.1
104.02583	0.7
105.03374	3.3
106.03729	0.1
106.99043	0.1
108.20313	0.1
109.02879	0.2
113.02352	0.4
121.02856	0.2
123.21268	0.1
132.02132	0.1
133.02885	11.8
134.03281	0.5
135.04424	1.0
136.07585	0.1
137.02365	0.2
137.03513	0.1
145.02917	0.2
148.01630	0.4
149.02367	1.0
155.13719	0.1
161.02397	9.1
162.02725	0.5
170.39972	0.1
173.04491	0.2
176.01143	0.8
177.01898	100.0
178.02240	5.4
179.03499	0.7
183.13884	0.2
191.05496	0.1
195.06648	0.1
195.13881	0.2
209.64639	0.1
213.14960	0.7
249.06093	0.1
287.20193	0.2
321.06281	0.1
331.19128	1.2
339.07382	0.2
460.18576	0.1
491.28650	0.6
492.29144	0.2
535.21942	20.1
536.22247	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	535.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.1
57.03333	0.1
59.01265	2.8
69.79515	0.1
71.01272	1.3
72.99158	0.1
73.02839	0.4
77.03848	0.2
83.01292	0.2
85.02833	0.7
89.02348	0.1
89.03876	0.1
93.03356	0.1
95.01297	0.1
95.04930	0.1
97.02821	0.1
98.20560	0.2
99.00771	0.1
101.02337	0.7
105.03362	0.5
107.04942	0.1
109.02863	0.1
113.02377	0.5
115.01824	0.2
117.03379	0.6
121.02883	0.2
123.04443	0.2
132.02090	1.8
133.02882	34.3
134.03336	1.2
135.04446	7.9
136.04764	0.3
137.02354	0.8
139.03947	0.2
145.02927	0.1
149.02455	0.1
150.03218	0.1
159.02882	0.1
159.04466	0.1
160.01625	0.2
161.02390	100.0
162.02722	4.9
162.04155	0.1
163.04007	0.1
178.02730	0.3
179.03458	4.1
180.03809	0.2
184.88956	0.0
187.04146	0.0
191.90331	0.1
203.03645	0.2
239.25404	0.1
247.06209	0.1
254.89766	0.0
262.50183	0.1
280.54425	0.1
356.00870	0.1
383.92661	0.1
423.49725	0.1
493.20642	0.2
535.21936	48.3
536.22290	8.1
558.52820	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17920	0.1
58.00492	0.1
59.01267	3.6
66.05532	0.1
69.40791	0.6
71.01273	1.0
72.76043	0.1
72.99190	0.1
73.02853	0.4
77.03860	0.2
83.01286	0.1
85.02845	0.5
87.00771	0.4
89.02337	0.6
89.03884	0.2
93.03367	0.1
95.01247	0.1
95.04927	0.1
99.00797	0.1
101.02335	0.6
104.02610	0.1
105.03361	0.6
107.04972	0.2
108.02098	0.1
109.02856	0.2
113.02386	0.3
113.48223	0.1
115.01808	0.2
117.03400	0.8
119.03423	0.1
121.02915	0.2
123.04436	0.2
132.02094	2.1
133.02885	36.8
134.03270	1.5
135.04453	9.2
136.04749	0.4
137.02350	0.7
139.03937	0.3
145.02919	0.3
150.03192	0.1
159.04387	0.1
160.01630	0.2
161.02394	100.0
162.02734	5.6
162.04134	0.2
163.03940	0.2
165.05452	0.1
175.04044	0.1
178.02876	0.1
179.03467	5.3
180.03810	0.3
191.05594	0.2
201.05426	0.1
203.03526	0.2
251.14546	0.1
365.09055	0.1
381.08316	0.1
475.23422	0.2
493.21030	0.2
535.21936	55.2
536.22278	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	535.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18469	0.1
55.01788	0.2
57.03342	0.2
58.00487	0.3
59.01266	19.4
60.01592	0.3
69.03349	0.2
71.01272	6.1
72.99208	0.4
73.02839	5.6
75.00794	0.2
83.01272	1.5
85.02839	1.3
86.94744	0.1
87.00774	0.7
89.02344	2.3
89.03873	0.3
93.03346	0.3
95.01288	0.3
95.04940	0.2
97.02884	0.3
99.00781	0.3
99.05660	0.1
101.02349	6.2
102.02749	0.1
104.02585	0.2
105.03361	0.6
107.04944	0.2
109.02870	0.2
112.36526	0.1
113.02362	2.4
115.01820	0.3
117.03406	0.8
119.03441	1.1
119.04952	0.2
121.02869	0.2
123.04459	0.3
125.02375	0.5
131.03423	0.5
132.02094	2.2
133.02885	38.3
134.03270	1.6
135.04454	11.0
136.04802	0.5
137.02391	0.7
143.03444	0.5
145.02859	0.7
149.04504	0.5
155.03438	0.2
159.04451	0.2
160.01572	0.1
161.02394	100.0
162.02737	5.6
163.03990	0.3
163.11194	0.2
173.04494	0.2
176.01117	0.5
177.01929	0.3
178.02643	0.1
179.03465	6.1
180.03806	0.5
187.03940	0.2
191.03632	0.6
191.05550	0.5
191.07133	0.2
192.04190	0.4
203.03532	0.3
203.05446	0.1
205.08704	0.2
207.06654	0.4
212.94954	0.1
221.06636	0.2
229.63144	0.1
269.19250	0.1
313.18146	0.4
331.19235	5.1
332.19556	0.5
365.08783	0.5
461.24854	0.1
475.23526	1.4
476.23575	0.2
491.11948	1.0
492.12503	0.2
493.25128	1.0
494.25064	0.2
535.21857	52.3
536.22223	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	535.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18469	0.1
55.01788	0.2
57.03342	0.2
58.00487	0.3
59.01266	19.4
60.01592	0.3
69.03349	0.2
71.01272	6.1
72.99208	0.4
73.02839	5.6
75.00794	0.2
83.01272	1.5
85.02839	1.3
86.94744	0.1
87.00774	0.7
89.02344	2.3
89.03873	0.3
93.03346	0.3
95.01288	0.3
95.04940	0.2
97.02884	0.3
99.00781	0.3
99.05660	0.1
101.02349	6.2
102.02749	0.1
104.02585	0.2
105.03361	0.6
107.04944	0.2
109.02870	0.2
112.36526	0.1
113.02362	2.4
115.01820	0.3
117.03406	0.8
119.03441	1.1
119.04952	0.2
121.02869	0.2
123.04459	0.3
125.02375	0.5
131.03423	0.5
132.02094	2.2
133.02885	38.3
134.03270	1.6
135.04454	11.0
136.04802	0.5
137.02391	0.7
143.03444	0.5
145.02859	0.7
149.04504	0.5
155.03438	0.2
159.04451	0.2
160.01572	0.1
161.02394	100.0
162.02737	5.6
163.03990	0.3
163.11194	0.2
173.04494	0.2
176.01117	0.5
177.01929	0.3
178.02643	0.1
179.03465	6.1
180.03806	0.5
187.03940	0.2
191.03632	0.6
191.05550	0.5
191.07133	0.2
192.04190	0.4
203.03532	0.3
203.05446	0.1
205.08704	0.2
207.06654	0.4
212.94954	0.1
221.06636	0.2
229.63144	0.1
269.19250	0.1
313.18146	0.4
331.19235	5.1
332.19556	0.5
365.08783	0.5
461.24854	0.1
475.23526	1.4
476.23575	0.2
491.11948	1.0
492.12503	0.2
493.25128	1.0
494.25064	0.2
535.21857	52.3
536.22223	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	535.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.2
58.00491	0.5
59.01267	15.9
61.98717	6.5
67.01785	0.3
68.86005	0.2
69.03371	0.3
71.01269	7.3
71.57816	0.3
72.99207	0.9
73.02837	1.3
75.00790	0.4
78.95810	1.3
82.02909	0.2
82.95339	0.3
83.01308	0.6
85.02846	2.4
87.00764	1.1
89.02338	8.6
93.03363	2.7
95.01300	0.4
95.51729	0.2
96.95920	0.5
96.96885	0.5
97.02868	0.3
101.02340	3.5
106.04155	0.4
108.02084	0.2
109.02869	0.4
111.04388	0.5
113.02359	3.2
117.03409	0.3
119.03421	3.1
119.04926	1.2
120.02078	0.3
121.02860	0.7
125.02378	0.3
127.04015	0.3
131.03455	0.4
133.02896	1.9
134.03670	3.5
135.04449	1.7
135.98250	0.2
137.02390	0.8
143.03416	0.7
145.02890	0.6
147.04514	0.3
148.05193	0.3
149.02391	0.3
149.04477	0.6
150.03159	0.6
155.03506	0.4
159.04501	0.3
160.05231	0.6
161.02406	4.1
161.04442	1.2
161.05786	0.3
162.03172	90.0
163.03523	4.6
164.04350	0.3
173.04529	1.3
175.07675	0.4
177.05530	100.0
178.05865	4.7
179.03435	0.8
179.05559	1.6
189.57744	0.2
191.05577	8.8
192.05919	0.5
193.04990	0.4
195.06456	0.3
216.94221	0.2
261.56644	0.2
284.10785	0.3
285.11478	0.3
319.15753	0.3
329.10406	0.4
329.14017	3.4
330.14285	0.5
357.11353	0.2
365.08820	0.5
415.23514	1.3
433.24521	0.3
449.11786	0.3
475.25641	0.6
491.12024	1.3
492.11926	0.3
536.15198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1683
Annotation	Asystasioside D
Peak:m/z	Relative Intensity
52.19016	0.3
57.03341	0.5
59.01263	6.6
61.98726	1.0
65.00206	0.4
67.97337	0.3
69.03352	0.7
69.32466	1.3
69.32900	2.4
70.16978	0.3
71.01269	2.8
72.00652	0.4
72.99189	0.6
73.02852	0.4
74.02380	0.4
75.00781	0.8
83.01279	0.4
85.02840	2.1
86.02375	0.4
87.00774	0.7
87.04432	0.7
89.02328	2.8
93.03385	0.5
95.01295	0.8
97.02879	1.2
97.06503	0.7
98.19801	0.6
99.00770	2.5
99.05563	0.5
101.02335	2.0
105.07037	0.8
107.04936	0.4
108.02121	0.8
109.06525	0.7
110.00008	0.4
111.00774	2.3
111.04438	2.2
113.02345	1.8
119.03381	0.6
119.04923	0.5
121.02899	0.5
121.06471	0.9
123.00809	0.9
123.04476	0.5
123.08055	0.9
125.02374	0.9
127.77911	0.3
128.03485	1.0
132.04480	0.5
136.01628	0.7
136.04369	0.4
136.98746	0.8
137.02414	0.7
137.06039	1.4
139.00345	3.5
140.01091	2.8
141.01874	7.0
143.04567	1.4
147.04518	0.4
149.06013	2.2
153.01891	0.8
160.00702	0.4
161.04466	0.4
163.03979	1.7
165.05539	9.0
165.06859	0.8
165.99013	0.9
166.99854	0.4
167.03436	1.5
167.07095	1.0
168.00598	7.5
169.05037	0.7
181.05026	25.0
182.02231	0.7
182.05394	1.6
183.02814	0.5
185.39885	0.4
191.04062	0.5
191.05571	2.9
193.05043	11.0
193.06796	0.7
195.03000	0.8
195.06602	1.5
205.05099	0.8
207.06633	0.6
209.04553	36.7
210.05312	30.0
210.08290	0.5
211.06107	100.0
212.06468	6.6
222.05287	0.7
223.06073	1.6
235.06114	1.8
237.07744	0.5
252.06548	0.4
253.07120	0.6
267.07281	1.2
272.09109	0.8
285.06213	1.5
303.07278	1.1
305.96927	0.3
306.07700	1.6
307.07999	1.1
357.12439	0.4
372.10574	4.7
373.11472	79.2
374.11835	8.4
385.11484	0.5
415.12457	1.3
449.10904	0.4
465.12497	0.5
480.04166	0.4
503.16623	1.6
535.16614	63.7
536.16766	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	533.386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62627	0.2
59.01267	100.0
60.01587	1.2
61.98713	0.4
69.43138	0.2
76.53644	0.2
78.95790	0.5
81.59681	0.2
95.77245	0.2
98.84589	0.2
115.42867	0.2
120.28394	0.2
125.15616	0.2
191.05659	0.7
205.35941	0.3
230.41283	0.3
329.84555	0.3
407.67810	0.3
430.80902	0.3
459.76172	0.3
461.57330	0.3
473.36475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47744	0.6
59.01270	7.8
71.01267	3.6
73.02853	0.6
78.95803	5.1
82.10607	0.5
83.01272	0.8
85.02860	1.8
87.00784	1.3
89.02348	2.0
90.64142	0.5
91.59384	0.6
92.60020	0.5
93.03376	1.6
96.96857	3.6
97.02863	1.4
97.42270	0.6
98.19820	1.3
99.00778	0.6
101.02351	1.9
107.04934	0.6
113.02374	1.6
119.03439	0.8
125.02389	4.6
132.02098	1.8
133.02888	33.8
134.03632	2.3
135.04454	36.5
136.01610	1.0
136.04793	1.3
137.02357	1.4
151.03975	1.2
159.04442	0.8
161.02400	100.0
162.02785	4.9
179.03467	24.6
180.03867	1.2
191.05612	2.5
207.04378	0.6
233.09535	1.1
239.32573	0.6
321.54776	0.6
323.07706	1.2
365.08875	19.2
366.09137	2.2
373.13074	2.0
449.10867	2.5
475.23734	1.3
491.12076	48.1
492.12466	8.0
535.17249	0.8
535.24658	1.9
535.31525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
57.03334	0.4
57.75560	0.2
59.01267	14.4
59.80807	0.2
60.16220	0.2
60.43208	0.2
61.35550	0.2
61.73930	0.3
63.94500	0.2
65.03842	0.3
66.26900	0.2
68.99732	0.3
69.03349	0.3
71.01273	4.8
71.58380	0.4
72.99200	1.9
73.02835	1.6
75.00768	0.5
81.03355	0.3
83.01279	1.0
85.02846	2.7
87.00784	0.8
88.77803	0.3
89.02324	2.2
93.03361	71.3
94.03688	1.9
95.01287	0.4
97.02865	0.7
99.00793	0.5
101.02354	3.8
101.39827	0.3
107.04946	0.4
109.02872	0.3
111.04404	0.4
113.02362	4.3
119.03406	0.8
121.02876	39.7
122.03205	1.4
123.04433	0.3
125.02369	1.0
131.03401	0.6
133.02892	7.8
134.03627	1.1
135.04453	8.5
136.04834	0.3
137.02377	100.0
138.02705	4.2
143.03445	0.9
147.04463	0.2
149.02455	0.4
149.04536	0.7
149.05992	0.3
151.03918	0.4
155.03334	0.3
159.04410	0.5
161.02399	19.2
161.04353	1.9
162.02727	1.2
173.04520	0.7
175.04013	0.3
179.03470	5.2
179.05592	0.7
180.03802	0.5
191.05569	2.1
193.05078	0.8
221.06598	0.5
246.48299	0.3
323.07858	0.3
329.14005	0.9
353.08929	0.3
365.08878	2.9
413.10986	48.6
414.11340	5.9
415.23489	0.3
449.11075	0.3
475.21997	0.8
491.12064	7.7
492.12485	0.9
493.23236	0.8
498.25137	0.3
535.18311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88863	0.8
59.01263	9.4
61.98717	1.4
71.56459	1.0
71.56834	0.9
78.95795	11.6
80.67326	0.9
83.04905	0.9
93.03440	0.9
93.23383	0.8
95.04902	1.0
96.96835	1.0
110.98446	5.6
133.02788	0.8
152.99496	3.0
160.23373	0.8
161.02380	1.3
165.12788	0.9
167.01068	2.7
171.00562	0.9
181.12250	0.9
183.76909	0.7
185.02191	4.6
191.05563	1.1
199.13394	22.8
200.13713	1.6
263.93137	0.9
279.19745	4.5
314.49881	0.8
344.04269	0.9
347.25961	9.2
348.26236	1.1
354.09940	1.6
364.35703	1.0
365.27045	100.0
366.27359	11.8
391.17975	1.2
476.27460	0.9
511.67892	0.8
533.28937	24.9
534.29150	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	533.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.5
57.03336	7.3
58.00479	3.4
59.01267	88.4
60.01602	1.6
61.98721	5.3
69.03345	1.4
71.01273	60.3
71.04900	1.1
71.60500	0.9
72.01613	1.3
72.99196	5.5
73.02840	10.4
75.00763	5.2
78.95815	1.4
80.52466	0.9
81.03334	1.1
83.01273	7.0
83.04893	1.2
85.02847	28.2
86.03228	1.1
87.00774	20.5
87.04418	3.5
89.02340	47.9
90.02673	1.0
93.03354	6.5
95.01293	4.6
95.04940	1.3
96.95902	1.6
97.02864	2.0
97.06496	7.4
99.00789	8.6
99.04434	1.0
101.02351	40.4
101.05995	1.9
102.84754	0.7
108.02030	1.5
109.02853	0.9
109.06487	1.9
110.41526	0.7
111.00820	2.9
111.07999	1.3
113.02355	24.4
113.06001	1.6
113.09639	1.0
117.03434	1.3
119.03431	23.9
119.04922	3.7
121.10126	2.0
123.04386	1.0
123.08102	3.9
125.02396	1.9
125.06008	1.3
125.09653	1.6
126.21976	0.8
127.07579	2.2
129.01859	2.6
131.03436	2.4
133.02887	1.3
134.03671	1.5
135.04462	3.7
137.02368	2.2
137.09659	2.2
139.11145	1.1
141.01889	1.0
141.09137	1.8
143.03455	4.1
143.06912	0.8
145.02884	2.4
149.04520	2.2
149.09712	2.0
151.11214	0.8
152.01053	1.3
152.08409	2.0
153.09166	1.7
155.03488	0.9
155.10736	2.8
159.02965	3.2
160.01654	1.1
161.02379	2.7
161.04544	5.9
162.03159	13.0
163.03882	2.7
163.11241	1.4
167.10735	5.2
173.04523	3.6
175.03964	1.5
177.05525	14.1
178.05902	0.9
179.03447	1.6
179.05586	8.6
181.12407	1.2
183.01231	0.9
185.11777	1.1
191.05582	13.7
192.06004	1.3
193.05013	1.6
196.11055	2.3
197.02859	1.8
201.11278	2.0
203.12907	1.7
205.15857	0.9
211.07668	1.2
213.11320	1.9
214.12100	5.4
243.15956	0.8
249.18672	1.1
253.73746	0.9
260.27112	0.9
265.18149	2.7
267.10818	1.2
284.03619	0.9
291.19748	1.1
295.19266	1.6
300.02670	1.1
335.17313	1.8
335.22336	4.0
349.18698	0.9
353.10217	0.9
353.23462	13.2
354.23761	1.7
359.18988	1.0
371.24442	38.0
372.24948	4.7
373.25888	2.3
413.21481	1.1
427.23499	3.8
443.26514	1.4
447.16928	1.4
453.24902	1.1
457.24765	2.5
473.19937	3.6
489.17166	4.0
497.27499	2.4
505.30460	2.4
515.28790	25.0
516.29248	4.4
533.22949	11.5
533.29938	100.0
534.22943	2.6
534.30225	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	533.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03310	1.0
58.00465	1.4
59.01266	31.1
61.98702	0.7
67.01773	0.6
69.03365	0.9
69.32500	4.5
71.01273	22.2
71.04867	0.5
72.99210	2.8
73.02446	0.6
73.02840	10.3
75.00764	1.9
78.95795	0.6
83.01266	2.0
84.95023	0.5
85.02362	0.5
85.02847	6.8
87.00771	2.3
89.02340	28.1
90.02665	0.7
93.03356	3.0
95.01294	0.9
96.95875	0.7
97.02830	1.2
98.20494	0.8
99.00784	25.2
99.04400	0.6
101.02349	12.1
105.01821	1.3
109.02830	0.6
111.00781	1.0
111.04424	0.6
113.02357	5.9
115.03951	0.5
117.03358	1.7
119.03473	2.4
119.04947	2.9
121.02812	0.5
125.02322	2.1
129.01854	1.1
131.03398	3.0
133.02846	1.7
134.03696	2.9
135.04422	1.5
137.02390	1.0
143.03432	0.6
145.02884	4.3
149.04460	2.7
149.05891	0.6
155.03488	0.7
161.02415	2.8
161.04497	2.4
161.05646	0.5
163.03943	3.4
167.10739	0.9
173.04520	3.7
177.03958	2.3
178.02649	1.1
179.03415	0.8
180.20900	0.5
191.05583	12.0
193.04990	3.6
201.99001	0.4
211.07695	0.5
221.15495	3.0
239.16582	1.1
266.05664	0.4
267.07138	0.8
293.04691	0.5
329.68207	0.5
335.22186	1.3
339.05200	0.7
347.18713	1.4
353.08478	0.7
371.18680	1.3
401.21826	3.3
429.21280	0.8
447.22479	1.3
466.02805	0.4
489.23685	0.6
515.24652	0.7
533.26013	100.0
534.26440	14.2
541.43372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2408
Annotation	Lapidolinin
Peak:m/z	Relative Intensity
57.03347	0.5
59.01266	9.5
61.98713	1.4
62.43693	0.3
68.91201	0.4
71.01279	2.5
71.28772	0.4
71.57882	0.6
73.02829	1.5
78.95803	1.1
85.02842	2.0
85.03757	0.4
87.00730	0.4
89.03874	0.7
93.03362	0.7
99.00806	0.4
101.02336	2.0
105.03379	1.3
113.02364	0.8
117.03401	1.5
132.01335	0.3
132.02095	15.3
133.02899	7.3
134.03673	23.5
135.04446	1.1
137.02396	1.0
139.03984	0.6
147.04430	0.9
149.06026	5.8
152.99535	1.2
158.03688	7.2
158.92804	0.4
160.01607	74.1
161.01993	4.4
161.04489	0.8
173.06036	6.8
174.03230	0.4
175.03964	82.2
176.04318	4.6
177.01906	1.5
178.02626	0.7
179.03497	0.8
182.85394	0.4
191.05602	1.4
191.07146	0.6
193.05042	20.5
194.05388	1.3
201.01938	5.5
202.02698	7.4
203.03127	0.4
217.00433	1.0
217.05061	21.6
218.05362	1.6
235.06145	2.2
315.18155	1.3
353.60562	0.4
383.17615	0.5
437.42667	0.4
458.19571	1.0
473.21930	3.7
474.21735	0.6
491.22968	1.7
518.21667	1.3
533.24042	100.0
534.24402	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	533.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31097	0.2
55.01780	0.7
55.11564	0.2
57.03338	3.6
57.28694	0.2
58.00494	0.3
59.01268	39.2
60.01606	0.4
60.99201	0.3
67.01786	1.1
68.99708	1.5
69.03329	1.1
69.44001	1.6
69.44405	0.4
71.01273	12.9
71.35453	0.2
72.01585	0.2
72.98308	0.2
72.99211	1.0
73.02859	1.1
75.00770	5.3
80.02584	0.4
81.03358	0.3
83.01275	1.5
83.04936	0.6
84.02050	0.2
85.02847	16.1
85.99977	0.4
86.03191	0.4
87.00777	5.9
89.02343	1.9
91.03941	0.7
93.03378	0.6
95.01283	3.6
95.04942	0.5
96.01642	0.2
96.95966	0.2
97.02882	0.8
97.06498	0.3
99.00785	2.3
99.04427	2.7
100.01611	0.4
101.02340	1.8
103.00300	1.0
103.03956	0.4
107.08574	0.2
108.02158	0.3
109.02895	0.5
109.06518	0.9
111.00788	1.5
111.04419	0.3
112.01598	0.8
113.02362	20.1
114.02709	0.6
114.26458	0.2
115.00293	1.1
115.03870	0.2
117.01837	0.4
119.03449	0.4
119.04968	1.0
121.02902	0.4
121.06533	0.8
125.02363	0.2
127.03922	0.5
129.01859	2.0
129.67055	0.3
131.03432	0.4
137.09630	0.3
139.00302	0.6
143.03445	0.4
145.02888	0.3
157.01401	1.6
161.04550	0.7
162.03218	0.6
162.64656	0.2
163.03943	1.1
163.11276	0.3
165.12802	2.9
166.13103	0.2
167.91089	0.2
169.05125	0.3
173.04539	0.6
175.02493	0.5
177.05516	0.6
189.04085	0.8
189.12831	2.0
191.05606	2.6
191.10785	0.7
194.59659	0.2
205.07150	2.0
207.13899	5.6
208.14247	0.3
209.11819	5.4
210.12280	0.2
231.05382	0.3
233.11920	0.3
249.06184	2.5
249.14981	0.4
251.12933	1.6
263.07770	3.1
265.84561	0.2
267.07315	0.4
269.14075	2.6
270.14246	0.3
281.08850	11.5
282.09204	0.9
297.17535	0.2
315.18188	0.2
325.17136	0.2
335.22253	0.2
343.17688	5.2
344.17999	0.7
385.18604	0.2
457.20847	1.8
471.22336	0.5
473.20499	2.6
474.20914	0.3
483.18689	0.5
491.21552	1.5
501.20007	5.2
502.19839	1.2
515.21478	1.5
515.28424	0.3
516.22003	0.3
533.22540	100.0
534.22894	17.4
534.29370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94160	0.2
55.01765	1.0
57.03344	0.9
58.00484	0.5
59.01267	100.0
60.01602	1.4
61.98724	0.8
67.01787	0.3
69.03356	0.7
71.01273	9.7
71.07748	0.6
72.01630	0.3
72.99197	1.2
73.02839	2.8
73.62632	0.2
73.83482	0.2
74.72434	0.2
75.00761	0.5
79.89394	0.2
81.03367	0.4
83.01292	1.2
83.04928	0.5
84.95017	1.7
85.00330	0.2
85.02849	5.8
86.02397	0.4
87.00774	7.4
89.02335	8.4
93.03356	2.3
95.01306	0.7
95.04931	0.5
96.95937	0.3
97.02840	1.0
97.06508	0.3
99.00780	2.5
101.02348	7.2
102.02667	0.4
107.04935	0.3
108.02110	0.9
109.02924	0.4
111.00822	0.5
111.04443	0.8
113.02361	7.1
115.03936	0.5
116.92783	1.3
117.03394	0.4
119.03431	2.2
119.04890	1.2
120.05409	0.2
121.02857	0.4
123.04440	1.8
125.02384	1.5
125.06010	1.3
126.02792	0.2
129.01868	0.7
131.03430	2.7
133.02856	1.0
134.03728	0.4
135.04462	0.9
137.02368	1.4
139.03922	0.4
141.05513	1.3
143.03442	1.0
145.02893	1.8
147.04436	0.4
149.04521	1.3
151.03937	0.4
153.05554	0.6
154.98074	0.4
155.03464	0.5
160.01628	0.4
161.02405	1.7
161.04465	1.3
163.03941	1.1
167.03529	0.2
169.05090	0.9
171.02184	0.2
173.04561	2.3
175.04019	0.5
177.01944	0.4
179.03481	0.8
179.05621	0.7
191.05577	3.2
191.07103	0.2
192.06030	0.3
193.05081	0.5
197.04671	0.2
201.01967	0.5
201.93317	0.2
203.05574	0.4
208.99501	1.2
211.13493	0.3
213.05530	0.2
215.05545	0.4
215.07509	0.2
233.06667	3.5
293.08963	0.2
315.18173	0.5
329.23453	0.3
335.22720	0.2
349.68451	0.2
371.24234	0.2
401.25940	0.2
411.20361	0.5
429.21384	16.4
430.21777	2.6
447.22391	10.0
448.23013	1.5
473.27789	0.4
489.23990	0.9
491.28867	0.4
526.98328	0.2
533.30304	6.1
534.30768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46936	0.4
55.01771	1.2
57.03336	0.7
59.01265	100.0
60.01601	1.8
61.98712	0.8
69.03349	0.5
69.45744	4.2
71.01268	8.2
72.99201	1.1
73.02848	2.9
81.03363	0.6
83.01274	1.0
83.04960	0.6
83.44080	0.4
84.95028	0.7
85.02832	5.0
87.00770	7.3
89.02340	7.8
92.63062	0.4
93.03352	1.0
95.01302	0.9
95.04899	0.6
96.95889	0.4
97.02860	1.3
97.06521	0.7
99.00782	2.5
99.04439	1.2
101.02343	6.4
101.63102	0.4
107.04924	0.5
108.02082	0.6
109.02874	0.7
111.00758	0.5
111.04382	0.4
113.02360	6.8
117.03409	1.2
119.03409	2.2
119.04967	0.6
123.04476	2.9
125.02359	1.6
125.06013	1.7
129.01868	1.0
131.03444	2.3
132.02115	2.0
133.02887	31.4
134.03127	2.1
135.03429	0.8
135.04449	11.6
137.02386	1.6
139.03967	1.2
141.05499	1.4
143.03455	1.6
145.02890	1.3
149.04471	1.1
153.05446	0.5
160.01582	0.5
161.02390	82.3
162.02722	7.3
163.02931	1.5
167.10661	0.4
169.04973	1.0
173.04529	1.6
177.05611	0.6
179.03455	9.1
179.05028	0.7
179.05617	0.4
180.03760	0.6
191.05569	4.4
191.07129	0.6
201.01895	0.9
211.13405	2.0
215.05669	0.7
229.01488	0.8
233.06686	3.2
329.23297	1.2
353.09018	0.6
381.08255	1.2
429.21375	16.4
430.21887	2.3
447.22458	9.8
448.22888	1.2
473.27814	2.3
487.16040	0.7
489.16699	4.8
489.23648	1.5
490.16745	0.5
491.28555	0.9
518.74335	0.5
533.20349	33.6
533.29669	4.1
534.20886	7.4
534.29205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	3.2
57.03333	0.8
59.01268	100.0
60.01610	1.1
63.78830	0.6
69.03362	0.7
71.01268	8.4
72.99220	0.7
73.02861	2.1
83.01299	1.1
85.02849	6.5
87.00780	5.3
89.02340	8.8
93.03368	0.8
96.95933	0.9
97.02843	1.0
99.00795	1.6
101.02343	6.5
113.02383	4.1
119.03436	1.2
125.02357	1.4
125.06016	0.9
129.01877	1.3
129.41740	0.6
131.03416	5.6
141.05537	0.9
143.03452	1.1
145.02937	1.0
149.04520	2.5
169.05048	0.8
173.04570	1.7
179.05597	0.6
186.64236	0.5
191.05641	2.4
202.22084	0.7
209.03471	0.6
230.05959	0.6
233.06668	4.2
263.02527	0.6
341.28146	0.6
415.93170	0.7
429.21439	11.9
430.22025	2.2
447.22449	8.9
448.23093	1.1
533.24963	4.9
534.25812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.3
57.03338	4.4
58.00491	0.8
59.01266	37.3
60.01608	0.4
67.01778	0.4
68.99701	0.7
69.03348	1.0
70.54989	0.2
70.55341	0.5
71.01272	25.8
72.01605	0.5
72.99202	5.9
73.02837	6.1
75.00765	32.8
76.01101	0.5
81.03362	0.3
83.01277	3.5
84.02051	0.7
85.02846	29.4
85.99993	0.2
86.03163	0.7
87.00774	8.7
88.01102	0.2
89.02339	8.4
90.02712	0.2
93.03363	0.6
95.01284	3.2
97.02863	1.2
99.00783	10.9
101.02351	7.4
103.00266	0.8
109.02794	0.3
111.00798	0.9
111.04426	0.2
112.01577	0.7
113.02358	33.4
114.02696	0.9
115.00294	2.7
116.01061	0.4
117.01859	2.0
119.03423	2.3
119.04850	0.3
121.02932	0.1
125.02373	0.8
129.01872	1.0
131.03442	2.0
133.01385	0.2
133.02901	0.2
135.04460	0.3
137.02449	0.2
139.00298	0.2
143.03418	0.5
145.02910	0.2
149.04497	0.4
155.03394	0.2
157.01363	1.5
158.01746	0.2
161.02383	0.3
161.04498	0.5
163.03961	0.2
173.04517	3.4
175.02451	3.7
179.05573	0.4
191.05557	1.4
193.03371	0.2
201.04073	0.2
203.05699	0.2
215.05614	0.7
235.04622	0.1
309.52200	0.1
312.47287	0.2
329.07120	0.2
357.19336	0.2
415.19833	0.4
429.21375	1.5
430.21893	0.2
473.20657	0.9
491.21347	0.4
497.27554	0.7
515.21490	0.4
533.22516	100.0
534.22870	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	533.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59616	0.2
55.01769	2.0
57.03339	4.3
58.00485	0.8
59.01266	32.8
59.38501	0.3
60.01596	0.4
61.98725	0.3
67.01787	0.4
68.99709	0.5
69.03345	6.6
69.50162	2.0
71.01273	20.8
72.01629	0.4
72.99199	4.4
72.99583	0.4
73.02836	3.5
75.00764	27.6
76.01131	0.3
78.93809	0.2
79.62366	0.2
83.01274	2.5
84.02087	0.6
85.02846	24.4
86.03152	0.3
87.00771	7.8
89.02342	7.1
90.02688	0.2
93.03378	0.3
95.01292	2.7
95.29282	0.2
96.95914	0.3
97.02850	2.1
99.00784	10.2
101.02349	4.6
103.00279	0.6
109.02851	0.2
111.00788	1.1
111.82118	0.2
112.01574	0.8
113.02360	26.6
114.02728	0.9
115.00282	2.1
116.01070	0.6
117.01900	1.3
119.03435	2.0
119.04963	0.4
123.04339	0.3
125.02380	0.6
129.01909	0.7
131.03456	1.1
132.98959	0.2
133.02881	0.4
136.85338	0.3
137.64638	0.3
141.01884	0.8
143.03453	0.5
149.04558	0.4
157.01372	1.7
160.01595	0.3
161.02359	1.4
161.04541	0.8
163.03978	0.4
173.04507	2.1
175.02434	3.4
175.03908	0.3
179.05588	0.5
185.00905	5.9
189.09129	0.4
191.05634	1.4
191.07143	0.3
203.01944	0.4
215.05582	0.4
224.02591	0.2
233.06615	0.3
347.18634	0.6
429.21448	1.7
447.22656	0.3
473.20212	2.1
474.20615	0.4
491.21655	1.7
515.21204	0.5
533.22528	100.0
534.22894	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	533.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05204	0.4
51.61711	0.4
55.01783	1.4
57.03331	0.9
58.00498	0.4
59.01266	100.0
60.01617	1.2
61.38406	0.4
61.98709	2.4
68.99689	0.6
69.03354	0.8
69.31638	5.0
71.01273	11.3
72.99214	1.3
73.02836	4.8
75.00768	0.6
81.03353	0.6
83.01281	2.2
85.02845	5.7
87.00771	5.6
89.02341	8.8
89.02837	0.8
93.03353	3.0
95.01292	1.1
96.95922	1.4
97.02876	0.9
98.10357	0.4
98.19756	0.8
99.00785	3.0
99.04394	0.5
101.02353	9.1
108.02108	0.5
111.00814	0.7
111.04433	1.0
113.02365	6.1
115.03928	0.5
116.92774	0.5
117.03427	0.8
119.03432	2.5
119.04942	2.2
120.05275	0.4
121.02921	0.6
123.04444	1.4
123.08132	0.5
125.02383	1.5
125.06016	0.7
129.01921	1.0
131.03429	2.6
133.02942	2.1
134.03670	1.3
135.04459	1.8
137.02385	1.0
143.03465	0.9
145.02902	2.0
147.04384	0.5
149.04514	2.2
151.03922	1.1
155.03409	0.6
160.01649	1.2
161.02415	2.4
161.04546	1.6
163.03975	1.3
169.05057	0.8
173.04494	3.6
175.03979	1.3
176.04311	0.6
177.01959	0.9
177.04649	0.5
179.03505	1.1
179.05666	0.7
187.57642	0.4
191.05580	6.7
191.07104	0.6
192.05840	0.6
193.05110	1.0
195.88953	0.5
203.61395	0.4
211.13429	0.8
233.06702	2.7
251.07323	0.5
293.21527	1.2
311.22586	0.5
329.23407	1.4
332.46973	0.4
359.15149	0.7
401.25745	1.7
429.21387	10.1
430.21878	1.3
447.22403	7.3
448.22894	0.8
457.63208	0.5
489.23706	0.9
490.28644	0.5
491.28778	1.0
502.16745	0.6
533.30103	15.5
534.29974	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	533.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.1
56.33092	0.5
57.03341	5.5
58.00486	0.9
59.01266	60.7
60.01615	0.7
67.01774	1.0
68.99708	1.0
69.03340	2.5
71.01272	29.4
71.04922	0.6
72.01626	0.8
72.99202	6.8
73.02847	3.5
75.00766	44.0
76.01083	0.5
77.62591	0.5
81.03364	0.7
83.01283	3.5
83.04895	0.5
84.02054	0.5
85.02846	36.2
86.03194	1.0
87.00776	10.0
87.01277	0.8
89.02342	9.2
93.03377	1.6
95.01283	4.3
97.02885	2.6
98.19717	0.9
99.00784	17.1
99.66362	0.5
100.01127	0.4
101.02350	6.8
103.00278	1.8
109.02890	0.5
111.00812	1.5
111.04386	0.4
111.55495	0.4
112.01595	3.6
112.94628	0.4
113.02363	36.8
114.02740	0.9
115.00267	2.7
117.01879	2.4
117.03403	0.9
119.03416	2.5
119.04961	2.0
121.02867	0.6
123.08064	2.2
125.02402	0.8
129.01895	1.3
130.60574	0.5
130.99843	0.5
131.03439	1.4
135.04475	0.9
139.00357	0.9
143.03447	0.6
145.02861	2.6
157.01366	6.5
158.65715	0.4
161.02402	1.0
161.04514	0.8
162.02998	0.5
163.04016	1.9
173.04549	3.7
175.02446	3.9
179.05606	0.6
185.00943	0.5
191.05589	3.9
191.06912	0.4
195.08136	0.6
230.83519	0.7
249.14922	0.6
329.17432	0.6
347.18698	1.8
353.23178	0.5
371.18762	1.9
371.24011	0.4
373.18494	0.6
383.98004	0.5
387.16791	1.0
401.19739	0.5
429.21423	2.4
455.19839	0.8
473.20358	12.5
473.27002	0.7
474.20837	1.2
491.21484	14.8
491.28818	0.9
492.22092	2.1
515.21619	0.7
533.22571	100.0
533.29620	6.9
534.22894	15.9
534.29376	0.6
541.13269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.3
59.01268	1.7
65.98090	0.2
67.01771	0.3
67.12714	0.3
71.01273	1.0
73.02823	0.4
76.77847	0.3
78.95770	0.3
83.04890	0.4
85.02844	7.5
87.00759	2.3
89.02361	0.3
93.03358	2.4
98.20586	0.5
99.00815	0.3
99.04405	0.4
101.02345	0.3
108.02084	1.0
109.02859	0.9
111.04402	0.8
117.01856	1.0
118.32967	0.3
124.09104	0.3
127.03945	1.5
129.01859	0.5
131.32942	0.2
147.02861	0.3
152.01076	1.8
171.02972	0.5
173.04517	1.0
191.05585	100.0
192.05905	4.2
204.18622	0.3
207.05020	0.8
223.17093	0.2
267.10016	0.4
365.77106	0.3
489.12921	0.4
533.15082	1.8
534.14673	0.3
554.93488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02574	0.2
57.59197	0.2
58.38719	0.2
59.01266	40.1
60.01612	0.6
67.01768	0.4
69.03384	0.3
69.69108	0.9
69.69537	0.9
71.01276	1.1
73.02854	1.1
76.73563	0.2
81.03363	0.9
85.02838	3.6
87.00796	0.5
89.02348	1.0
93.03384	1.3
96.52963	0.2
96.95921	0.9
99.00788	0.3
99.04499	0.3
101.02365	0.9
103.03925	1.2
107.04992	0.3
108.02105	0.7
109.02895	0.5
111.04424	0.3
113.02383	0.6
115.86852	0.2
117.03378	0.9
117.05499	0.3
119.03448	0.6
119.04935	0.3
123.38681	0.2
125.55319	0.3
132.02078	2.2
133.02878	1.9
134.03667	30.3
135.03899	1.4
135.06563	2.6
137.02368	0.7
147.04575	0.3
148.05264	0.5
149.06032	14.2
150.06374	0.6
151.03986	0.3
152.01118	1.2
153.05513	0.3
156.05716	0.2
159.17108	0.3
160.01611	20.6
161.01985	0.8
161.04543	0.5
163.03986	0.3
173.04509	0.8
175.03969	28.6
176.04286	1.4
177.01909	1.0
178.02623	1.3
179.03455	0.9
191.05595	8.9
192.05922	0.6
193.05043	38.5
194.05356	2.0
215.07254	0.3
235.06084	1.8
253.08333	0.3
265.07169	0.4
296.09021	1.3
311.11438	100.0
312.11765	8.8
337.09366	2.1
355.10449	0.5
429.10510	0.3
448.67078	0.3
533.14386	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	533.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99406	0.3
57.03344	0.5
59.01267	8.3
60.99189	0.7
67.01768	1.8
69.03333	1.1
71.01266	4.2
71.62356	0.5
72.99174	0.9
73.02842	0.8
78.95802	0.5
81.03345	0.7
83.01304	0.6
83.04916	0.6
85.02847	11.1
86.07919	0.4
86.40038	0.4
87.00777	6.9
88.01128	0.4
89.02345	1.8
93.03365	12.6
94.03694	0.7
94.30067	0.4
95.01296	0.6
96.95932	2.8
99.00780	1.1
99.04389	0.8
101.02351	1.0
108.02068	0.8
109.02864	1.6
111.04411	2.3
113.02335	2.3
115.00302	0.8
117.03342	0.8
119.03537	0.4
119.04958	3.7
119.90214	0.4
120.05234	0.5
121.02886	0.7
123.00814	0.4
123.04469	0.5
125.02386	0.6
127.03947	2.5
135.04495	2.3
137.02414	2.0
143.04982	0.8
145.02888	0.8
151.03909	0.5
155.03471	0.7
159.04442	0.5
161.04456	0.5
163.03973	2.8
171.03038	0.9
173.04526	5.4
191.05591	100.0
192.05933	6.8
193.06049	1.0
211.07645	1.8
235.07649	0.7
243.06674	3.9
249.05943	0.6
251.07181	0.8
252.07587	0.4
253.08842	1.3
265.08859	0.9
267.07230	1.0
271.09821	1.3
279.06644	1.5
281.09033	0.6
291.08966	0.8
327.08911	1.4
336.08643	2.2
337.09332	9.5
337.59482	3.3
338.09644	2.4
338.59756	1.3
341.06732	1.3
359.07681	4.3
360.08069	0.4
362.99414	0.4
371.09885	0.5
456.14127	0.6
473.24487	0.4
533.12189	2.0
533.18878	0.7
533.22620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97702	0.3
57.03355	0.4
59.01264	7.6
59.57536	0.2
65.38516	0.2
67.01788	0.4
69.03334	0.3
71.01264	1.9
71.12619	0.5
71.12957	0.5
72.99183	0.5
73.02827	0.7
75.15714	0.2
78.95795	0.3
79.95641	0.2
83.01306	0.4
83.04963	0.3
85.02829	1.5
87.00779	0.7
89.02351	1.0
90.67997	0.3
93.03358	3.9
96.95910	5.5
98.95542	0.4
99.00776	1.3
99.04401	0.4
101.02333	1.0
107.04939	0.4
109.02874	3.1
111.04424	2.7
113.02377	0.7
116.92777	0.9
123.04438	0.7
127.03954	0.4
128.95851	0.3
133.02876	1.3
134.03648	1.1
135.04445	100.0
136.04782	4.2
137.02374	3.1
153.05550	0.4
155.03445	3.2
161.02393	4.7
161.04440	0.5
162.02701	0.4
167.03410	0.3
173.04507	16.3
174.04800	0.7
179.03462	9.3
180.03786	0.5
191.05583	19.9
192.05948	1.0
197.04485	1.2
219.02890	0.3
246.93927	0.3
335.07794	2.6
336.07913	0.4
353.08868	5.5
354.09427	0.5
371.09888	40.4
372.10236	3.9
413.21704	0.6
515.12048	0.8
533.12317	2.5
533.19592	0.2
534.13470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84141	0.8
59.01267	7.1
69.45713	6.2
70.31543	0.7
70.39712	0.7
78.95808	4.3
85.02847	0.7
85.62269	0.6
89.02348	0.8
93.03380	1.4
96.95918	0.9
96.96878	3.2
101.02380	0.7
104.04772	0.7
104.24233	0.7
107.01312	2.7
109.02847	1.2
113.02316	1.2
132.02083	0.9
134.60222	0.7
135.00803	1.6
151.00322	1.8
153.04565	0.6
159.04332	1.3
163.00320	2.2
169.06583	1.0
171.04379	1.0
177.02010	0.7
183.04449	1.3
185.06133	1.7
187.04019	3.3
189.05518	1.0
191.05550	2.3
197.05991	0.8
199.03972	1.2
207.04189	1.0
211.04018	2.9
213.05573	1.5
227.03513	28.4
228.03851	2.8
229.05055	10.7
233.09593	1.4
239.03482	2.3
241.04984	1.0
255.03041	62.9
256.03531	7.4
257.04645	7.4
267.02960	1.9
267.09973	1.7
283.02582	1.2
284.00024	1.6
284.03329	88.5
285.04089	100.0
286.04465	9.2
489.10495	51.5
490.10895	8.9
533.22119	0.9
533.29834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66511	0.1
55.01770	0.4
57.03342	0.3
59.01266	100.0
60.01610	1.0
61.98722	0.6
65.42528	0.1
69.03369	0.2
71.01271	4.3
71.58800	0.3
72.99203	0.2
73.02852	1.4
75.00783	0.2
83.01282	1.0
85.02838	2.8
87.00797	0.4
89.02339	0.9
93.03374	0.5
95.01292	0.5
97.02855	0.2
99.00782	0.8
101.02341	3.1
101.55824	0.1
109.30791	0.2
113.02365	2.8
119.03423	0.4
119.04975	0.2
120.93837	0.1
125.02440	0.2
130.95560	0.2
133.02922	0.2
143.03424	0.4
148.55940	0.1
159.02979	0.4
161.02429	0.4
161.04498	2.1
173.04567	0.4
179.05661	0.2
181.12376	0.2
185.15475	0.5
191.05531	0.7
197.02835	0.4
199.05435	0.2
209.11928	0.2
327.29361	0.2
453.32468	0.4
471.33398	3.7
472.34076	0.7
489.34512	2.1
490.34845	0.5
531.25800	1.3
531.35773	0.3
532.26520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3707
Annotation	Rubianol d
Peak:m/z	Relative Intensity
56.37643	0.1
59.01267	100.0
60.01599	1.0
61.98724	0.5
69.50334	0.7
69.50761	0.7
71.01313	0.2
77.40417	0.2
93.03340	0.2
96.95952	0.4
151.89049	0.1
154.67058	0.1
184.01515	0.1
191.05647	0.2
200.56581	0.2
201.95538	0.2
217.55609	0.2
293.52432	0.2
423.33221	0.3
435.32944	0.5
438.31384	0.2
453.34024	1.1
454.33878	0.3
471.34930	6.5
472.35193	1.2
531.37036	0.9
532.37128	0.3
533.92401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66511	0.1
55.01770	0.4
57.03342	0.3
59.01266	100.0
60.01610	1.0
61.98722	0.6
65.42528	0.1
69.03369	0.2
71.01271	4.3
71.58800	0.3
72.99203	0.2
73.02852	1.4
75.00783	0.2
83.01282	1.0
85.02838	2.8
87.00797	0.4
89.02339	0.9
93.03374	0.5
95.01292	0.5
97.02855	0.2
99.00782	0.8
101.02341	3.1
101.55824	0.1
109.30791	0.2
113.02365	2.8
119.03423	0.4
119.04975	0.2
120.93837	0.1
125.02440	0.2
130.95560	0.2
133.02922	0.2
143.03424	0.4
148.55940	0.1
159.02979	0.4
161.02429	0.4
161.04498	2.1
173.04567	0.4
179.05661	0.2
181.12376	0.2
185.15475	0.5
191.05531	0.7
197.02835	0.4
199.05435	0.2
209.11928	0.2
327.29361	0.2
453.32468	0.4
471.33398	3.7
472.34076	0.7
489.34512	2.1
490.34845	0.5
531.25800	1.3
531.35773	0.3
532.26520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3186
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
51.08844	0.9
57.03334	2.2
59.00953	1.1
59.01260	17.4
61.98719	11.3
63.68091	0.8
65.97192	1.0
69.03331	1.0
71.01269	16.5
71.57951	1.6
72.99191	4.0
75.00763	15.5
78.95786	3.8
85.02350	1.5
85.02844	23.1
85.83385	1.1
87.00768	8.6
89.02333	5.7
95.01266	4.7
99.00780	8.1
100.17595	1.0
100.34641	1.0
103.00323	4.4
103.00882	0.9
113.02353	27.6
115.00240	1.3
117.01855	1.5
129.01845	1.3
151.70999	1.0
152.99550	2.3
159.78316	0.9
175.02454	5.0
187.06049	0.9
191.05606	5.5
202.42061	1.0
205.07158	2.1
215.84995	1.0
249.06241	6.5
255.23351	1.1
267.07220	6.8
279.23334	11.8
280.23694	1.8
281.24918	62.6
282.25296	6.5
283.13846	0.9
362.14426	1.0
391.01645	1.0
410.16949	1.0
447.25568	2.0
449.25693	1.2
513.30920	1.4
531.31885	100.0
532.23041	3.1
532.32037	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	531.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.0
59.00986	2.4
59.01266	25.8
60.99157	1.7
61.98702	4.4
67.01776	8.1
69.03324	3.4
71.01266	13.7
72.99155	1.9
73.02813	5.3
75.00756	3.8
81.03377	2.4
83.01257	1.9
83.04913	2.3
84.72281	1.7
85.02834	12.6
87.00763	10.7
89.02320	5.4
93.03365	48.0
94.03679	2.8
95.01282	1.7
96.95898	5.1
99.00759	2.4
100.25876	1.6
101.02328	5.7
109.02843	3.6
111.04421	8.2
113.02325	6.9
113.05935	1.4
117.03353	2.8
117.89455	1.4
119.03339	2.2
119.04924	8.8
121.02866	1.9
125.02400	1.7
131.04904	1.5
133.02847	5.1
134.03616	6.4
135.04549	7.6
136.04759	2.2
137.02332	3.6
143.05037	3.1
145.02870	5.1
155.03371	5.4
159.04338	1.8
160.01561	3.6
161.02296	5.9
163.00290	1.6
163.03989	7.7
173.04506	36.6
174.04793	3.3
177.01820	1.7
179.03366	5.6
191.05595	100.0
192.05951	10.1
193.04814	2.7
193.06328	1.9
210.06760	1.7
211.06041	1.2
211.07672	12.8
227.03603	8.4
229.05020	3.2
237.02112	1.5
237.09085	4.8
253.04727	1.8
253.08731	1.9
253.82037	1.5
255.03136	11.6
256.03522	2.7
257.04364	2.2
265.08713	3.5
267.07114	2.2
284.03369	13.2
284.06116	2.5
285.04102	29.6
286.04428	3.0
289.06302	2.0
327.08667	3.0
339.08679	7.2
351.07104	2.7
353.08514	2.7
354.08963	1.7
355.09323	1.9
357.09906	3.4
368.10580	2.5
369.10687	5.6
425.09055	5.3
531.14227	14.8
531.23505	90.6
531.63812	7.3
532.16040	3.1
532.23932	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	531.2824
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.01775	4.5
57.03344	2.9
58.00479	3.0
59.01267	53.3
60.01596	0.5
61.98710	1.0
67.01778	0.8
69.03338	1.9
70.19067	0.5
70.34688	1.6
71.01272	66.6
72.01611	0.7
72.99205	2.8
73.02837	26.9
73.61964	0.4
74.03133	0.5
75.00769	1.7
79.63307	0.4
81.03363	1.2
83.01281	9.5
85.02846	24.6
86.00005	0.6
86.03190	0.5
87.00776	3.9
89.02340	49.9
93.03362	3.9
95.01276	4.2
96.95915	1.5
97.02854	3.2
97.06498	0.7
99.00781	21.0
99.04414	1.7
101.02351	48.3
102.02674	1.0
108.49710	0.4
109.02881	0.9
111.00780	1.9
111.04498	0.6
113.02357	21.4
114.02729	0.8
115.03950	2.2
119.03432	9.9
119.04886	0.8
123.04468	0.6
125.02379	5.9
127.03918	0.6
129.01868	1.1
131.02469	0.7
131.03435	10.1
133.02896	1.0
134.03654	2.3
135.04465	1.2
137.02364	0.6
141.01903	0.5
143.03394	3.3
145.02884	1.4
149.04504	27.5
150.04794	0.8
159.02969	2.3
160.01607	1.3
161.02380	1.6
161.04507	10.8
163.03937	1.1
173.04529	3.9
175.03972	1.0
179.03450	0.8
179.05557	3.2
191.05594	13.5
192.05931	0.5
193.05060	2.8
205.03577	0.5
215.07341	0.7
217.05190	0.5
221.06705	0.7
230.08936	0.5
233.06693	3.6
251.07841	1.7
253.05238	1.0
293.08963	2.9
294.09097	0.6
298.63306	0.4
381.22916	2.1
387.20117	0.5
399.23978	28.6
400.24274	3.6
449.14456	0.7
487.15952	0.7
487.25452	1.1
513.27209	1.0
531.28271	100.0
532.28607	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	531.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	15.0
67.01769	4.3
69.03340	2.3
69.25446	4.9
69.25864	10.2
71.01268	5.2
73.02830	1.4
75.00720	2.4
81.03329	2.2
85.02847	8.4
85.03289	1.3
87.00757	7.3
89.02303	2.0
93.03355	31.6
94.03701	3.7
96.95881	1.9
99.00794	1.7
99.04459	1.6
109.02851	2.1
111.04450	5.2
113.02414	1.6
124.33132	1.4
127.03937	3.6
127.64063	1.5
129.01862	1.6
132.02190	1.5
133.02890	15.2
134.03682	17.1
135.04492	18.6
136.04892	6.3
137.02348	3.9
137.04990	2.1
143.05075	1.6
153.10864	1.3
155.03407	4.1
160.01590	7.0
161.02399	16.0
162.02734	2.1
164.63869	1.4
173.04517	33.2
174.04842	4.9
175.05026	4.9
177.01871	5.5
178.02641	1.6
179.03468	15.7
180.03807	5.3
181.03949	2.8
191.05577	100.0
192.05920	19.1
193.04961	9.1
193.06201	7.6
194.05354	8.5
195.05513	4.9
215.05577	1.8
339.08789	13.6
351.07281	5.5
353.08899	5.9
354.09268	6.8
355.09406	12.4
357.09717	1.7
367.10367	5.0
368.10681	8.0
369.11008	17.6
383.02332	1.3
531.15222	5.2
531.23560	39.9
532.24323	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	531.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70702	0.4
54.61229	0.4
56.17143	0.4
57.03329	0.5
59.01267	100.0
59.37646	0.4
60.01620	0.9
61.98720	0.5
63.11372	0.4
71.01270	4.3
71.59942	0.7
72.99191	1.2
73.02861	2.4
74.02367	0.6
75.00764	0.6
80.17648	0.4
85.02859	3.4
87.00797	1.7
87.56268	0.4
89.02340	2.2
93.03342	2.7
95.01308	0.5
96.95922	5.9
96.96567	0.4
96.96850	0.8
99.00824	1.0
101.02319	2.5
105.03348	0.7
107.15830	0.5
109.02901	1.2
111.04417	0.7
113.02361	2.9
116.03461	0.4
117.03394	0.4
119.03507	0.6
119.04943	1.5
121.02913	0.6
121.51425	0.4
123.04435	0.7
128.03496	0.7
133.02916	0.6
134.03729	0.7
135.04459	1.2
137.02405	0.8
145.02927	0.7
147.04456	0.7
149.04547	0.6
150.10277	0.4
151.03961	1.2
155.03419	0.6
159.04547	0.8
161.02403	7.4
161.04449	0.9
163.03975	1.3
164.04724	0.6
173.04582	2.1
175.03984	0.5
176.04736	4.6
177.01999	0.5
179.03471	10.7
180.03897	0.5
191.05586	14.4
191.07143	2.0
192.05981	0.9
193.04987	0.5
193.08725	0.7
194.05826	13.1
195.06300	1.0
209.08189	45.2
210.08572	2.5
242.43031	0.4
249.06049	0.4
267.06985	0.9
269.11880	0.6
281.08939	1.1
295.06570	0.5
307.89859	0.4
313.11209	0.5
339.05051	2.2
357.10077	1.7
383.16043	0.5
411.20490	0.5
487.22482	0.6
495.89114	0.5
531.21832	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	531.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73091	0.7
55.01779	2.1
57.03343	1.7
59.01267	100.0
60.01602	1.1
61.98719	1.8
69.03345	1.7
69.64826	4.6
71.01271	27.9
72.99217	1.7
73.02840	10.2
75.00789	0.8
79.95630	0.6
82.95306	2.7
83.01289	4.1
83.02405	1.8
83.04929	2.7
85.02846	12.8
87.00771	8.0
89.02342	14.8
93.03372	6.3
94.03725	0.7
95.01315	1.7
95.04898	0.8
96.95937	3.3
97.02856	2.2
97.06522	1.0
99.00775	6.5
99.04381	1.0
101.02357	17.2
101.19387	0.7
102.11531	0.8
108.02075	1.2
111.00812	1.3
111.04444	1.3
113.02365	12.4
115.03960	0.8
117.47290	0.7
119.03443	2.5
119.04974	2.7
121.02963	0.9
123.04417	2.4
125.02370	3.0
125.06010	1.2
127.03873	0.7
129.01854	0.9
131.03447	3.7
133.02890	1.7
134.03606	1.1
135.04433	2.0
137.02411	0.8
141.05493	1.0
143.03482	2.0
143.08951	0.7
145.02902	2.0
149.04536	6.9
151.11237	0.8
155.03447	0.8
155.10767	1.0
159.02922	1.6
161.04520	6.0
163.03975	2.8
169.05025	0.9
171.10214	1.4
173.04555	4.7
179.03398	0.8
179.05626	1.0
187.07596	0.7
191.05588	10.5
192.05917	0.8
211.07619	0.7
211.13358	1.1
229.14474	1.7
233.06630	1.4
291.19672	1.0
293.08826	0.8
313.16663	1.1
370.89493	0.8
374.06360	0.9
399.24048	5.5
427.19800	19.8
428.20435	3.6
445.20953	10.3
446.21112	1.5
449.14771	0.8
487.21585	0.9
487.26187	0.9
489.27576	0.8
531.28351	47.3
532.28772	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	531.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35683	0.6
55.01772	1.2
56.11332	0.7
57.03332	2.1
58.00473	4.4
59.01267	100.0
60.01593	1.7
61.98717	1.9
67.01797	1.7
69.03346	7.3
71.01274	50.9
72.01594	0.8
72.99204	4.6
73.02837	17.7
74.02377	1.0
75.00766	1.1
78.95809	1.9
81.03352	4.7
83.01282	5.8
83.04924	1.3
85.02855	18.6
87.00781	4.5
87.04455	0.7
89.02342	29.6
93.03370	7.9
95.01286	2.5
96.95919	1.2
96.96871	0.7
97.02861	8.7
99.00816	3.2
99.04417	1.5
101.02353	34.3
102.02676	0.9
103.03920	30.3
110.91310	0.7
111.04436	1.8
113.02367	3.5
115.03963	2.1
117.03436	0.8
119.03424	14.5
119.04841	3.5
125.02370	37.8
127.03960	3.8
128.03479	2.1
129.01852	0.9
131.03444	1.4
133.02873	0.8
134.03677	3.3
137.02393	1.2
143.03458	3.7
143.04578	1.6
145.02890	1.1
145.05037	6.3
147.04449	0.9
148.05251	37.8
149.04402	1.0
149.05603	2.1
155.03490	0.8
161.02426	1.7
163.03931	2.8
163.06096	32.9
163.07617	13.0
164.06438	1.3
173.04514	9.2
179.03372	0.9
191.05605	12.1
192.05933	1.4
193.04967	3.5
194.05339	1.3
195.05574	1.3
205.07213	2.2
210.06833	1.4
211.07622	14.4
212.08029	2.6
227.03535	3.1
229.05092	1.1
229.07375	1.0
237.09238	1.7
243.05179	1.0
247.08264	8.2
255.03091	5.2
255.10307	0.9
256.03656	1.1
257.04657	1.0
265.08832	2.0
272.08893	1.5
284.03381	5.7
285.04050	10.5
286.04446	1.2
289.06607	0.8
289.09543	2.6
307.10406	30.7
308.10770	1.3
329.93362	0.8
369.10663	1.2
385.11633	0.8
422.61401	0.8
444.10577	0.8
531.14990	1.7
531.22949	10.0
531.63354	1.0
532.23596	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	531.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80897	0.3
55.01777	0.4
57.03346	0.8
67.01785	0.8
69.03351	1.0
69.42552	0.7
69.42949	2.6
71.01270	5.4
72.99210	1.6
73.01969	0.3
73.02827	1.6
75.00769	0.7
81.03369	0.6
83.01292	0.6
83.04897	0.5
84.02089	0.4
85.02849	5.5
87.00786	1.8
89.02340	1.8
93.03358	3.2
95.01303	1.2
96.95919	7.6
97.02854	0.8
99.00772	1.5
99.02489	0.3
99.04440	0.3
101.01787	0.3
101.02355	2.0
101.05992	21.7
102.06332	0.8
105.01863	0.4
107.04942	0.4
108.02084	50.8
109.02911	9.7
110.03176	0.4
111.00779	0.6
111.04461	0.8
113.02365	4.3
115.03919	0.6
117.03377	0.8
117.67380	0.3
119.04951	3.3
121.02898	1.7
123.00802	0.7
123.04445	1.0
125.02389	0.8
127.03989	0.3
129.01900	0.6
134.03716	1.6
135.04480	2.0
136.01585	1.7
137.02380	1.1
142.76379	0.3
145.02892	2.5
147.04526	0.4
149.06046	0.4
151.00255	0.4
151.03938	3.4
152.01100	100.0
153.01849	7.3
154.02278	0.6
155.03433	1.2
161.02396	1.0
161.04553	0.8
161.13295	0.5
163.03958	6.6
167.10851	0.4
173.04524	5.7
175.03960	0.9
177.01880	0.9
179.03439	1.3
181.05046	0.9
187.11224	0.3
191.05579	7.0
192.05904	0.4
193.05095	1.3
205.05229	0.3
205.07066	0.5
205.12367	0.5
207.02962	1.0
211.06042	2.0
249.06310	0.4
263.07837	0.6
267.07050	0.4
267.12543	0.6
275.34311	0.3
281.08865	2.4
285.03992	0.5
297.06238	0.7
315.07355	0.9
319.08337	2.5
320.08572	0.6
331.40930	0.4
349.09607	0.4
357.09644	0.8
369.08401	0.4
385.11353	0.8
408.97510	0.3
429.10446	10.7
430.10794	1.2
447.11508	0.5
531.17188	82.6
532.17560	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66536	0.1
59.01269	2.4
67.01765	0.3
69.03317	0.3
70.72334	0.4
70.72727	0.4
71.01267	1.1
73.02833	0.6
81.03339	0.6
83.04930	0.4
85.02843	9.7
87.00774	2.2
93.03359	4.2
95.01270	0.2
96.95913	2.3
99.04415	0.5
108.02112	0.2
109.02877	1.8
111.04430	1.2
113.02353	0.5
118.60564	0.2
119.04917	0.4
121.02854	0.3
123.04414	0.2
125.02396	0.2
127.03949	2.8
133.02878	0.3
134.03691	0.7
135.04460	0.9
137.02376	0.7
141.29028	0.2
141.46428	0.2
145.02841	0.4
147.04443	0.5
151.03969	0.3
157.02890	0.2
159.04439	0.6
161.02383	0.4
163.03944	0.2
171.02919	0.8
173.02260	0.2
173.04504	1.6
175.03981	0.2
177.01936	0.2
179.03455	0.5
191.05585	100.0
192.05939	3.9
201.01982	0.2
201.03984	0.4
202.93269	0.2
221.06024	0.2
229.01387	1.1
251.07382	0.2
267.06653	0.7
268.07104	0.3
277.05176	0.6
278.05759	0.2
280.07523	0.2
295.06238	0.8
295.09232	0.2
337.09152	0.3
339.05151	3.6
339.09018	0.3
340.05295	0.4
353.09006	0.2
357.09845	1.5
400.91611	0.2
531.15942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.4
57.64213	0.3
59.01268	5.6
60.99185	0.4
61.98717	0.4
67.01784	1.8
69.03361	0.7
69.81976	0.4
69.82380	1.8
71.01273	3.1
73.02845	0.8
75.00764	0.4
75.71947	0.3
78.95804	0.7
81.03344	0.9
83.04922	0.5
85.02846	8.6
87.00772	5.8
89.02341	1.0
91.01797	1.3
93.03363	15.3
94.03724	0.6
96.95938	0.9
96.99216	3.3
97.02824	0.5
99.00790	0.6
99.04412	0.5
101.02348	0.7
108.02098	1.3
109.02860	1.5
111.00786	0.5
111.04436	2.2
113.02338	0.4
115.00316	0.4
115.32144	0.3
117.03381	0.9
119.04942	7.3
119.05730	0.6
120.05273	0.3
120.99655	0.3
121.02889	0.6
123.04439	6.5
124.01575	0.5
125.02355	0.4
127.03952	2.1
129.01900	0.6
131.04961	1.2
132.02112	0.3
133.02879	1.5
134.03664	7.6
135.04420	1.0
137.02390	1.2
143.04973	7.7
144.05290	0.7
145.02895	1.7
146.03661	2.4
147.04468	1.1
148.01523	0.5
148.05176	0.7
149.02332	0.4
149.06003	1.0
152.03467	0.3
155.03436	1.6
158.03668	2.4
159.04471	4.4
160.01685	0.4
161.02440	0.5
161.06033	1.7
163.03970	5.7
164.04312	0.5
167.97932	0.4
171.03044	0.3
171.04408	0.4
173.04520	8.0
173.06027	2.0
173.07318	0.4
174.03180	0.6
175.03955	1.0
178.02724	1.0
187.03987	0.8
191.05586	64.6
191.61890	0.3
192.05934	2.9
193.05029	3.8
226.06363	2.9
229.01532	0.4
235.07704	1.1
238.06390	0.5
241.08742	2.5
250.06450	1.0
251.07147	9.9
252.07884	4.7
253.08694	3.5
254.09381	1.8
263.07266	0.6
265.08768	1.1
267.07202	0.6
267.10355	1.6
267.16293	0.5
269.12091	0.4
279.06760	3.1
280.07474	9.4
281.07797	0.8
289.05588	0.6
295.06464	0.7
295.09808	10.4
296.10181	1.4
311.09515	0.5
313.10965	0.6
324.06393	1.4
339.05148	1.1
339.08789	3.8
340.09064	0.4
357.09866	100.0
358.10226	11.9
487.22406	0.4
531.15070	20.5
532.15515	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	531.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53507	0.2
57.03337	0.5
59.00992	0.4
59.01268	5.8
60.99185	0.3
67.01783	1.5
69.03341	0.4
71.01274	3.5
71.62411	0.4
72.03504	0.2
72.99207	0.6
73.02840	1.0
74.17228	0.3
75.00790	0.5
78.95794	0.6
81.03374	0.7
83.01292	0.6
83.04916	0.7
85.02842	11.8
85.19898	0.2
87.00778	4.3
87.04443	0.3
89.02328	1.1
91.01797	0.6
93.03361	12.7
94.03670	0.4
95.01279	0.4
96.95951	1.1
96.96867	0.5
96.99226	1.1
99.00800	0.6
99.04427	0.6
101.02353	1.4
102.19664	0.2
108.02058	0.4
109.02860	1.7
111.00792	0.3
111.04436	2.7
113.02366	1.3
113.05975	0.4
117.03352	0.3
118.97982	0.2
119.03462	0.6
119.04941	3.1
120.99574	0.8
121.02863	0.4
123.04442	1.4
125.02380	0.4
127.03923	2.5
131.04947	0.6
133.02870	0.7
133.95523	0.2
134.03670	3.1
135.04448	1.1
137.02374	0.8
143.04994	2.0
145.02878	1.1
146.03696	0.9
147.04483	0.9
148.05261	0.3
149.05998	0.4
155.03477	0.7
157.02962	0.3
158.03691	1.0
159.04449	1.9
161.02367	0.3
161.04541	0.7
161.06013	0.7
163.03969	2.0
171.02962	0.7
171.04436	0.3
171.87289	0.2
173.04541	5.7
173.06017	1.0
174.04762	0.3
175.03923	0.4
178.02718	0.4
187.03940	0.5
191.05588	100.0
192.05922	5.0
193.04990	1.6
198.06679	0.3
226.06400	0.9
229.01483	1.1
241.08698	0.9
249.05768	0.3
250.06302	0.5
251.07144	4.5
252.07903	1.8
253.08707	1.1
254.09462	0.7
265.08734	0.3
267.06769	0.5
267.10498	0.4
277.05136	0.5
279.06699	1.2
280.07443	3.1
281.07913	0.4
295.06464	0.5
295.09787	3.3
296.10031	0.4
313.10968	0.8
324.06433	0.8
325.23941	1.0
337.09268	0.3
339.05142	3.3
339.08862	1.2
340.05545	0.4
342.89713	0.2
357.09869	25.4
358.10220	2.8
367.10788	0.4
369.22299	0.3
487.16232	0.4
487.29562	0.7
531.15204	18.7
531.27081	2.5
532.15424	3.3
532.28217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05382	0.3
58.00473	0.4
59.01267	14.6
62.18870	0.3
66.91758	0.3
68.72813	0.3
71.01274	3.7
72.99191	0.3
73.02843	2.0
82.95309	1.0
83.01298	0.4
83.02404	0.5
85.02855	1.6
87.00764	0.5
89.02345	2.9
93.03358	0.9
95.08372	0.3
96.65926	0.3
97.02869	0.3
97.92848	0.3
99.00752	0.9
99.04426	3.3
101.02352	2.8
105.03344	0.7
113.02363	1.1
117.03352	1.1
119.03426	0.3
119.04926	0.4
123.04443	1.1
127.03973	0.3
131.03433	0.7
132.02124	2.7
133.02884	35.9
134.03726	2.1
135.04454	9.7
136.04770	0.5
137.02365	1.0
145.02863	0.4
149.04520	0.8
150.81337	0.4
159.04456	1.0
160.01643	0.6
161.02391	100.0
162.02728	5.6
163.03918	0.4
173.04576	0.8
175.03931	0.9
177.01848	0.4
178.02670	0.7
179.03445	6.0
180.03743	0.4
191.05585	4.4
191.07170	0.5
192.05933	0.4
193.04961	0.6
203.03488	0.7
229.82867	0.4
285.06964	0.4
285.56952	0.3
300.29971	0.3
313.03659	0.3
313.47409	0.3
329.17694	0.6
347.18613	0.7
350.08957	0.4
353.08914	0.6
376.30118	0.3
399.23709	0.5
443.05301	0.3
445.15262	3.4
469.48401	0.4
487.16217	53.0
488.16562	8.1
489.26935	0.7
531.28381	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	531.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	19.9
61.98713	0.3
63.10051	0.2
69.03346	0.3
71.01268	4.0
71.57102	0.2
72.99186	0.3
73.02839	2.8
83.01292	0.3
85.02853	1.4
87.00771	0.7
87.97946	0.3
89.02340	1.2
89.03871	0.2
93.03363	1.0
95.04961	0.3
96.95916	0.8
99.00794	0.6
99.04436	0.7
101.02359	2.1
105.03365	0.3
107.04952	0.6
109.02866	1.1
111.04431	0.3
113.02336	1.2
115.01767	0.3
117.03385	0.7
119.03392	0.5
119.04941	0.4
121.02876	10.8
121.06443	0.2
122.03225	0.4
125.02388	0.7
132.02115	1.4
133.02885	30.9
134.03763	2.8
135.04451	57.7
136.04810	2.4
137.02379	0.8
139.03969	0.3
145.02826	0.5
147.04411	0.7
149.04457	0.3
149.06059	0.4
151.03830	0.3
155.03467	0.4
159.03354	0.2
159.04402	1.5
160.01611	0.3
161.02394	100.0
161.40852	0.3
162.02727	5.1
163.03986	0.5
171.04485	0.3
171.10213	0.4
173.02527	0.3
173.04485	1.3
173.05936	0.4
175.03999	0.8
177.01918	0.6
177.05531	1.0
178.02756	0.3
179.03470	40.2
179.37898	0.3
180.03802	2.4
189.05608	0.4
190.45248	0.2
191.05579	5.3
192.05931	0.6
201.01953	0.4
201.11307	2.4
203.03473	2.8
217.01320	0.3
221.04550	0.3
229.01497	0.6
233.04605	0.3
264.04303	0.2
267.07019	0.4
271.02667	0.2
274.09598	0.4
295.06342	0.5
305.06750	0.3
309.20892	0.7
323.07822	2.6
333.20633	0.3
335.02109	0.8
337.03720	0.6
339.05048	1.4
353.08884	0.6
354.09430	0.3
365.08838	66.8
366.09186	7.5
370.47955	0.3
387.16476	0.4
445.11493	1.9
446.11862	0.5
451.08969	0.3
471.26181	0.6
487.12576	16.0
488.13016	2.6
489.26910	0.6
513.10742	0.4
531.19000	1.6
531.28265	9.6
532.28748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03353	0.6
60.99222	0.3
62.19152	0.3
67.01796	0.7
69.03352	0.5
70.70930	0.9
71.01275	2.8
72.99254	0.3
73.02869	1.0
81.03388	0.6
83.01320	0.3
83.04919	0.5
85.02843	10.5
87.00782	2.8
89.02339	1.3
91.01792	0.3
93.03356	6.5
93.03896	0.4
94.03718	0.3
95.17690	0.3
96.95914	1.9
99.04455	0.5
101.02339	1.6
105.62988	0.3
108.02122	0.7
109.02869	13.9
111.03806	0.3
111.04417	1.3
113.02389	1.2
117.03406	1.0
119.04950	1.6
121.02870	1.9
123.04442	2.8
127.03905	2.2
129.03380	0.5
131.04996	0.7
133.02922	1.2
134.03699	1.1
135.04468	3.2
137.02376	1.9
143.04997	1.0
145.02884	5.8
146.03633	0.9
147.04468	4.2
149.02411	0.5
151.03961	0.7
155.03482	0.5
157.02910	4.5
158.03679	1.1
159.04465	9.0
160.04819	0.6
161.02351	1.8
161.04492	0.6
163.03944	1.2
169.12817	0.3
171.02966	0.6
173.02405	2.8
173.04521	3.6
173.05930	0.3
174.03215	1.3
174.04564	0.3
175.03969	4.0
175.05330	0.4
176.04390	0.4
177.01862	1.6
179.03452	2.8
185.02419	4.4
186.03053	0.6
187.03911	0.8
191.05585	83.1
192.05931	3.4
193.05009	0.5
193.06577	1.0
195.02950	0.9
196.05287	0.6
197.06100	1.1
201.01921	1.4
203.03465	0.7
207.17552	0.3
209.06163	0.5
210.06877	0.4
211.07658	0.9
220.05330	0.5
221.06056	2.4
222.06648	0.3
223.07674	0.8
224.04788	1.1
225.05597	0.6
226.06152	0.4
229.01440	36.4
230.01851	3.2
233.06078	0.4
237.05623	1.1
238.06270	0.9
239.07130	2.5
247.03964	0.3
248.04773	1.4
249.05591	5.3
250.06255	2.6
251.07120	1.9
252.04346	0.6
252.07797	0.6
253.05157	1.3
254.09537	0.3
265.05054	1.5
266.05826	2.0
267.06662	17.8
268.04156	0.4
268.06918	1.8
269.08368	1.6
270.08801	0.3
276.04367	1.0
277.05124	12.5
278.05698	3.7
280.03790	1.0
280.07446	0.5
293.04630	5.2
294.05350	2.8
295.06189	27.0
295.09375	1.0
296.06497	2.8
313.07144	0.6
321.04102	0.7
325.24158	1.5
335.07428	0.4
339.05164	100.0
340.01343	0.6
340.05490	11.2
351.07062	0.5
353.08899	2.3
357.05716	0.6
357.09854	8.6
358.10147	0.8
369.08231	2.3
369.22717	0.8
487.12219	1.9
487.29330	0.6
488.12738	0.3
531.11261	19.7
531.28180	4.8
532.11407	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	531.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66041	0.7
57.03328	1.1
59.01267	20.2
61.26535	0.6
67.01762	0.8
69.03345	0.7
69.83205	4.0
71.01280	4.5
73.02843	1.5
78.95805	2.2
79.29072	0.6
79.95607	0.8
81.03320	0.8
83.04910	0.8
85.02847	10.3
87.00791	3.7
89.02345	2.7
93.03363	9.5
95.01263	0.7
96.95920	38.6
96.96825	3.1
99.00775	0.7
101.02374	2.3
107.04913	1.1
108.02087	0.7
109.02866	10.4
111.04433	2.4
113.02366	1.4
116.92789	0.7
117.03394	0.8
119.04950	1.6
121.02870	2.2
123.04456	8.1
127.03915	1.9
129.01891	1.4
129.03474	0.6
133.02847	3.2
134.03679	1.5
135.04456	11.0
137.02344	2.4
145.02861	3.8
146.03572	0.8
147.04457	4.1
148.04984	0.9
149.02374	1.0
151.03992	3.4
152.01054	1.2
155.03453	1.8
157.02914	2.9
159.04469	6.4
161.02377	4.9
161.04445	1.5
163.03880	1.5
172.46909	0.6
173.02400	1.4
173.04509	8.4
174.03127	1.0
175.03979	2.1
177.01898	6.0
179.02037	1.2
179.03477	13.2
180.03906	0.7
185.02449	1.6
191.05591	100.0
192.05977	4.9
194.05779	1.4
195.03035	4.3
201.01865	0.6
203.03442	0.6
209.06366	0.8
209.08127	3.7
221.06133	2.2
225.05754	1.1
229.01434	21.0
230.01938	1.8
239.07172	1.9
248.04858	0.7
249.05620	4.1
250.06421	1.6
251.07205	1.0
265.05185	0.8
266.05939	2.4
267.06689	10.8
268.07129	1.2
269.08371	1.0
276.04257	0.8
277.05127	9.5
278.05795	2.3
280.07208	0.7
293.04608	3.0
294.05392	1.9
295.06232	16.1
295.09589	1.3
296.06580	1.8
317.41626	0.7
335.07724	1.3
339.05182	66.2
340.05521	8.1
350.64337	0.8
351.07297	2.0
353.08832	10.8
354.09036	1.1
357.06180	0.9
357.09906	4.9
369.08295	6.4
387.16632	2.1
389.18311	1.2
429.17795	0.9
487.12155	0.9
531.10858	12.6
532.12006	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	531.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40710	0.6
57.03309	0.6
59.01258	5.9
67.01773	1.5
69.03355	0.8
71.01276	3.3
71.28596	1.1
72.99194	1.0
73.02834	1.5
77.30160	0.5
81.03352	1.4
83.04933	1.4
85.02843	9.2
87.00775	3.5
89.02342	1.2
89.03858	0.9
93.03362	14.3
94.03691	0.6
96.95916	3.4
96.96907	0.5
97.44792	0.5
99.04424	2.5
100.04776	0.5
101.02366	1.4
101.05953	0.6
105.03378	1.4
107.04929	2.3
108.02077	8.0
109.02930	6.5
111.04418	4.1
113.02325	1.1
119.04948	1.9
121.02838	2.6
122.03674	1.1
123.04446	26.0
124.04752	0.8
127.03934	2.2
129.01840	0.5
133.02876	10.4
134.03706	4.1
135.04454	40.2
136.01573	1.0
136.04785	2.8
137.02379	4.4
145.02866	2.2
147.04453	1.4
149.02388	2.2
150.02902	0.7
151.03952	8.8
152.01099	13.0
153.01456	4.8
154.01498	2.6
155.03452	4.6
159.04462	2.2
161.02397	13.3
162.02774	0.9
163.03958	2.7
173.04514	28.8
174.04854	1.7
175.03934	1.2
176.00970	0.6
177.01895	20.8
178.02411	0.9
179.03464	34.3
180.03816	2.0
191.05586	100.0
192.05957	5.2
193.01213	0.7
193.06528	0.5
195.02972	10.8
196.03313	0.8
203.03374	0.7
229.01410	6.3
230.01846	0.9
239.07101	0.5
249.05530	0.9
250.06265	0.6
250.23134	0.6
266.98389	0.5
267.06796	2.7
269.08142	0.8
277.05121	1.4
278.05817	0.6
293.04718	0.7
295.06149	3.6
300.02695	0.6
312.41251	0.5
319.08209	1.7
325.09409	0.8
335.07761	8.4
336.08337	0.8
339.05157	14.5
340.05499	1.9
351.07309	4.2
353.08847	26.4
354.09207	2.6
357.09778	0.9
369.08322	13.8
370.08652	1.8
430.10791	1.1
431.10498	2.6
463.09451	0.5
530.16028	1.6
531.10181	3.5
531.17554	15.8
532.10944	1.0
532.17542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.6
61.98697	0.9
67.84727	0.6
69.32177	6.2
78.95794	24.6
85.02838	2.4
87.29717	0.6
88.98691	0.6
96.95919	10.4
96.96873	1.7
110.98457	0.6
129.94695	0.6
152.99525	26.6
153.00771	1.3
168.04311	2.8
181.69576	0.6
191.05582	2.0
224.06935	8.0
242.08051	1.6
244.93066	0.6
250.04929	2.3
255.23329	100.0
256.23654	10.2
277.21783	1.1
279.23361	12.0
280.23660	6.8
356.68326	0.6
363.25632	1.1
448.25671	2.4
480.31061	73.6
481.31372	10.3
530.29242	9.2
531.29413	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47718	0.3
57.03339	0.4
59.01256	2.6
60.99160	0.4
67.01762	1.2
69.03368	0.5
69.37106	3.4
71.01277	1.8
72.99195	0.6
73.02826	0.6
81.03346	0.9
83.04905	1.0
85.02846	8.2
87.00776	3.2
93.03357	10.9
94.03675	0.4
95.04901	0.5
96.95909	2.7
99.00748	0.5
101.02363	0.6
101.05982	4.1
105.03381	1.6
107.04916	2.2
108.02069	12.3
109.02892	4.3
111.04424	3.3
113.02341	0.8
117.03408	0.3
121.02892	1.6
122.03683	1.6
123.04443	27.2
124.01520	0.4
124.04738	0.8
125.02357	0.6
127.03963	2.0
129.57228	0.4
133.02878	6.0
134.03711	3.0
135.04449	37.2
136.04755	2.5
137.02367	1.9
139.03903	0.5
145.02824	0.5
149.02390	1.8
150.02815	0.7
150.94374	0.3
151.02832	0.4
151.03935	6.4
152.01097	21.1
153.01878	1.7
154.02667	0.5
155.03468	2.1
161.02405	6.3
163.03931	0.7
171.02895	0.4
173.04504	12.8
174.04893	0.9
177.01892	15.5
178.02325	1.3
179.03456	28.1
180.03787	2.1
181.03848	0.3
191.05582	100.0
192.05946	5.4
194.02164	0.4
195.02963	11.6
196.03282	0.9
204.42322	0.4
263.05814	0.3
298.45807	0.3
325.09259	0.8
335.07767	2.5
351.07239	4.0
352.07602	1.0
353.08853	29.6
354.09268	3.3
368.07642	0.6
369.08328	21.7
370.08719	3.2
424.31677	0.4
429.10336	2.0
530.27228	0.6
531.17499	20.8
532.11713	0.3
532.17914	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	530.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	18.6
61.98717	100.0
71.01272	1.6
71.55831	0.2
71.56273	0.2
72.99202	0.3
73.02846	0.4
78.95806	0.4
83.01289	0.2
85.02867	0.6
87.00803	0.2
89.02326	1.1
96.95904	0.2
101.02356	1.5
113.02361	0.8
119.03452	0.5
121.10166	0.5
132.02110	0.4
133.02884	0.5
134.03662	0.5
135.04445	0.2
148.05212	0.2
149.06067	0.2
160.01613	1.9
161.02423	0.6
161.04549	0.3
171.10204	1.0
172.10593	0.4
173.04457	0.2
175.03967	2.0
191.05609	0.3
193.05090	0.5
217.05176	0.4
253.09334	1.2
275.20288	1.0
276.20633	0.7
293.21292	2.1
294.21664	1.8
295.22861	0.5
381.22919	1.1
423.24353	0.4
478.39340	0.2
506.77402	0.2
531.22443	2.0
531.29688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3547
Annotation	Rubianol b
Peak:m/z	Relative Intensity
50.02031	0.2
57.03327	0.9
57.05547	0.2
58.80978	0.6
59.01266	9.8
61.56482	0.2
61.98703	0.7
68.99703	0.2
69.38771	0.2
70.87413	0.4
71.01267	4.6
72.99201	1.4
73.02846	0.5
75.00770	4.4
78.95786	0.9
83.01289	0.2
85.02843	6.3
87.00771	2.4
89.02327	1.3
90.96677	0.2
95.01293	1.5
95.70390	0.2
98.19929	0.2
98.34525	0.2
99.00793	2.6
99.04430	0.3
101.02326	0.3
103.00276	0.7
111.00783	0.4
111.04423	0.3
113.02360	7.4
115.00262	0.6
117.01864	0.6
129.01883	0.6
150.82291	0.2
152.99513	2.0
157.01398	0.2
161.02386	0.2
175.02432	0.8
191.05597	1.3
202.91309	0.2
205.07195	0.6
249.06186	1.6
257.15714	0.2
261.22153	0.2
267.07272	1.4
277.21884	1.0
279.23355	17.3
280.23734	1.7
284.22699	0.2
348.70609	0.2
391.30194	0.3
393.31650	0.3
404.12509	0.2
409.31229	0.3
437.35001	0.2
441.33527	0.3
445.23758	0.3
511.29288	0.6
529.35974	100.0
530.36359	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3028
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01768	1.2
57.03337	4.0
59.01265	19.7
66.69094	0.8
69.42264	6.1
71.00899	1.3
71.01270	22.7
72.98850	0.8
72.99199	5.8
73.02812	1.7
75.00373	1.1
75.00766	20.2
83.01288	1.8
84.02051	0.9
85.02844	25.0
87.00779	9.2
87.71429	0.8
89.02341	6.3
95.01283	6.1
99.00784	12.8
103.00259	3.3
113.02358	35.2
113.96455	0.7
115.00269	2.4
115.90494	0.7
117.01833	3.2
129.01849	1.1
131.03419	0.8
157.01445	1.0
167.75838	0.8
175.02444	4.5
185.59486	0.8
205.07140	2.2
223.08273	1.6
249.06163	6.4
255.23267	1.1
267.07254	8.3
279.23343	74.7
280.23694	8.5
326.29282	0.9
350.90817	0.8
480.30603	1.0
483.65717	0.8
502.68738	0.8
511.29367	1.8
521.57477	0.8
529.30157	100.0
530.30530	21.4
530.38245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.3
55.41082	0.2
57.03342	0.6
58.00486	0.2
59.01263	8.4
61.98714	2.5
66.21410	0.2
69.03353	0.3
70.03666	0.9
70.04076	0.5
71.01267	5.7
72.99207	0.5
73.02835	0.8
83.01289	0.7
85.02846	1.3
87.00780	0.8
88.91885	0.2
89.02334	5.1
91.03903	0.3
92.22763	0.2
93.03354	0.5
95.01307	0.4
95.04907	0.3
98.19849	0.2
99.00836	0.3
101.02349	6.2
111.08086	0.3
113.02345	2.8
113.09663	0.3
119.03426	1.9
121.19531	0.2
133.02899	0.5
135.04436	0.5
137.02449	0.2
141.09161	0.4
143.03426	0.6
151.00360	0.7
161.02367	0.3
161.04489	2.9
167.10680	0.3
173.04498	0.3
177.12831	0.3
179.05556	1.3
179.14342	1.4
181.12289	0.3
191.05551	1.3
195.13881	8.7
196.08673	0.2
196.14346	0.7
200.64384	0.2
205.12318	0.8
205.15707	0.3
211.13434	0.5
214.02798	0.3
223.13385	5.3
224.13843	0.4
228.13695	0.9
235.16975	0.4
237.13229	0.2
238.59879	0.2
241.01363	0.4
242.02155	0.7
242.84628	0.2
245.00941	0.4
253.09322	31.8
254.09673	1.8
256.13144	1.3
265.21799	0.4
270.01660	0.9
275.20221	6.2
276.20502	0.6
289.79211	0.3
293.21295	100.0
294.21631	11.3
298.01135	0.5
396.08481	0.6
414.09552	0.3
432.10358	0.4
451.74777	0.2
475.93320	0.2
492.22055	0.9
511.16345	0.5
529.17212	2.3
530.17529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.9
58.00507	1.3
59.01267	100.0
60.01598	1.1
69.03345	1.8
69.94338	1.7
69.94761	4.3
71.01273	28.6
73.02837	32.8
76.39234	1.0
83.01287	8.4
85.02855	4.1
87.00749	1.3
89.02345	4.2
91.75763	1.0
93.03365	1.7
101.02348	23.2
113.02361	10.2
119.03381	1.8
125.02417	1.5
127.07590	3.0
131.03424	3.0
138.16612	1.0
143.03465	1.2
155.03581	1.1
161.02345	1.2
161.04518	4.1
162.68161	1.0
187.11159	1.9
189.12827	2.1
191.05566	3.6
191.07161	1.9
203.14438	4.8
205.08714	1.5
208.84703	1.1
215.10703	2.4
219.13922	15.6
231.13972	9.0
233.15494	3.5
242.38022	1.0
247.13382	2.2
313.18021	1.3
331.19241	8.1
332.19861	1.2
349.20322	13.9
350.20633	1.6
529.22992	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.2
58.00490	0.4
59.01267	8.5
61.98719	2.1
62.92829	0.2
71.01272	5.8
71.58604	0.3
72.99194	0.4
73.02849	1.0
83.01280	0.7
83.04948	0.3
85.02847	1.5
87.00782	0.8
89.02341	5.0
93.03384	0.4
95.01304	0.5
95.58660	0.2
97.06498	0.2
99.00799	0.2
101.02351	5.5
103.65546	0.2
111.08157	0.5
113.02364	2.8
113.09660	0.4
119.03415	1.9
125.09554	0.3
131.03418	0.2
133.02885	0.4
135.04466	0.5
143.03490	0.4
151.00363	0.6
161.02400	0.5
161.04485	2.9
170.01585	0.2
173.04533	0.3
175.65263	0.2
179.05586	1.4
179.14403	0.8
181.12383	0.3
191.05545	1.4
195.13898	8.8
196.14461	0.6
205.12372	0.7
205.15955	0.3
211.13385	0.7
214.02664	0.4
223.13397	5.9
224.13852	0.4
228.13693	1.3
231.21111	0.6
242.02211	0.8
245.00935	0.4
249.22134	0.3
253.09343	31.4
254.09735	1.8
256.13217	1.0
265.21799	0.4
270.01740	0.7
271.02347	0.2
275.20224	4.9
276.20587	0.7
293.21310	100.0
294.21640	11.2
298.01245	0.7
396.08505	0.5
414.09253	0.5
432.10852	0.4
492.22250	0.9
511.16379	0.5
529.17322	2.2
529.29694	0.3
530.17609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12915	1.2
57.03320	2.3
59.01268	20.3
59.28974	1.4
61.98691	4.2
67.01750	4.3
67.52624	1.3
69.03316	2.2
71.01279	13.3
72.99183	2.7
73.02818	3.9
75.00730	3.1
78.95769	5.9
83.01241	2.1
85.02837	9.5
86.49855	1.3
87.00733	5.2
89.02328	6.9
93.03360	29.4
96.95885	1.7
99.00737	4.1
101.02377	6.8
108.02035	2.0
109.02851	2.5
111.04385	6.0
113.02348	6.3
117.03355	4.3
119.04872	3.6
119.66742	1.2
125.02333	1.5
129.01826	1.8
134.03670	46.2
135.04465	11.9
137.02315	5.3
145.02896	1.5
149.05905	1.7
155.03407	5.0
161.02411	6.8
161.04504	1.5
164.65929	1.5
173.04514	96.1
174.04790	4.1
177.01810	1.5
179.03387	7.7
179.05359	1.9
191.04025	2.7
191.05592	38.6
192.05869	1.9
193.05037	54.3
194.05290	2.4
228.61000	1.3
281.08749	3.2
307.19211	3.2
329.16885	1.5
334.19989	1.7
335.07608	2.0
353.09042	6.4
367.10437	59.5
367.20435	2.0
368.10779	7.8
388.87451	1.4
404.65433	1.7
454.75681	1.5
460.11490	1.8
469.06601	5.8
529.21844	100.0
530.22144	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	529.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05911	0.5
59.01266	7.2
59.11906	0.5
61.98712	3.4
63.73389	0.5
67.01785	0.6
68.57951	0.6
69.48885	1.1
69.49301	3.6
71.01277	2.0
81.03358	0.6
83.01289	0.5
83.04919	0.8
85.02846	2.2
85.38938	0.5
87.00748	1.0
89.02332	1.9
93.03365	1.6
96.95885	0.8
97.02858	1.6
98.20570	1.0
101.02324	0.8
104.05994	0.4
109.02863	0.8
111.04421	1.2
112.87486	0.5
113.02369	0.7
117.03386	0.7
117.20695	0.5
133.02875	2.0
134.03670	1.3
135.04431	1.2
140.82045	0.5
145.02855	0.6
155.93762	0.6
161.02371	3.6
173.04567	1.9
179.03482	1.1
179.05667	0.8
179.07199	0.6
191.05594	3.9
193.05075	1.4
197.02217	3.3
209.11871	0.8
239.17627	0.6
239.76503	0.6
259.20767	0.8
287.20270	3.5
313.18100	1.6
329.17642	2.1
331.19211	100.0
332.19556	13.3
335.73187	0.5
353.08945	0.9
367.10638	1.1
371.89764	0.5
529.23279	7.5
529.75195	1.7
530.23206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.3
58.00463	0.6
59.01263	9.5
60.99187	0.9
61.98699	1.0
67.01789	3.7
67.04665	0.4
69.03370	1.0
70.47791	1.0
70.48195	0.7
71.01263	4.6
73.02837	1.1
81.03349	1.4
82.95308	1.6
83.02408	1.2
83.04913	1.2
85.02868	2.2
86.17004	0.4
87.00764	1.4
89.02312	1.2
89.03874	0.5
90.40194	0.4
93.03359	27.6
94.03718	0.9
96.95909	2.1
99.00789	0.8
99.04430	0.7
101.02346	1.0
101.09204	0.4
109.02852	1.2
111.00784	1.0
111.03732	0.6
111.04438	5.1
113.02361	1.2
117.03367	3.5
118.19252	0.4
121.02863	0.9
125.02429	0.6
127.03917	0.6
133.02882	7.7
134.03665	22.1
135.04463	7.9
136.04779	0.8
137.02382	5.8
145.02953	0.7
149.02429	1.0
149.06000	1.8
155.02362	1.2
155.03450	4.0
159.04549	0.4
160.01598	0.5
161.01077	0.9
161.02400	17.0
162.02747	2.2
173.04510	100.0
174.04869	4.0
175.04044	0.5
179.03455	5.9
180.03726	0.9
191.05579	10.9
192.06145	0.4
193.05040	23.0
194.05367	1.6
195.06648	0.6
242.05103	1.6
242.55229	0.4
253.84586	0.4
265.05179	0.5
272.11896	0.5
280.05923	1.0
281.06842	0.5
283.06195	0.6
299.02005	0.8
311.05649	1.4
314.30896	0.4
323.06851	1.0
335.07779	1.7
339.05252	0.7
353.08871	1.9
367.10440	41.4
367.59036	0.8
368.10733	4.7
493.21182	1.6
529.13910	1.2
529.21637	11.0
530.21997	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57654	0.3
54.69452	0.3
57.03326	0.8
59.01268	10.2
59.26688	0.3
61.98710	1.2
66.33201	0.2
67.14211	0.3
69.03331	0.8
69.88144	0.8
69.88554	0.9
71.01279	3.2
72.99220	0.3
75.00758	2.0
79.98074	0.3
81.03363	0.5
83.01290	0.5
85.02850	3.5
87.00760	1.0
89.02347	0.9
93.03357	0.8
95.01272	0.8
97.02856	13.0
97.06509	0.8
98.03167	0.5
98.20486	0.3
99.00759	1.4
101.02334	0.7
103.00276	0.4
105.04330	0.3
107.04898	0.3
108.02126	0.3
109.02853	0.6
111.00735	0.3
111.04414	0.5
113.02374	3.7
119.04939	0.3
122.03648	0.6
123.08150	0.3
127.07575	4.7
133.02882	0.4
134.03603	0.3
135.01445	0.3
135.04424	0.7
137.02412	0.4
145.02850	0.3
151.00282	0.6
159.04413	0.3
161.02415	1.0
161.09636	0.8
163.11250	0.3
165.09145	0.5
173.04520	1.2
175.02472	0.4
175.03967	0.6
179.03455	0.5
189.12828	5.9
190.13089	0.5
191.05708	1.6
191.07007	1.6
197.02171	1.5
203.14386	0.9
205.06947	0.4
205.08717	5.0
206.09004	0.3
207.10321	2.0
214.02721	0.5
221.08261	0.4
221.15387	0.6
229.16048	0.4
242.02251	0.3
249.06239	2.0
257.08435	0.3
267.07269	4.7
268.07538	0.4
269.19183	3.1
270.01740	0.5
270.19449	0.4
279.19687	0.8
283.17181	2.7
287.20209	1.2
295.17075	0.7
313.18179	27.1
314.18491	3.4
331.19232	100.0
332.19604	13.3
367.16840	0.5
396.08273	0.5
414.09744	0.4
488.62857	0.3
511.16293	0.6
528.54987	0.3
529.21564	3.8
529.27026	6.3
530.21539	0.5
530.27393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	6.9
61.98715	0.9
67.93366	0.2
71.01263	0.7
71.59837	0.3
73.02852	0.2
76.23248	0.2
77.03961	0.2
78.61269	0.2
78.95800	0.2
80.99422	0.2
85.02824	0.4
87.00761	0.2
89.02354	0.3
89.03864	0.2
93.03348	0.5
95.04900	0.2
96.95900	0.3
97.02819	0.2
99.04468	0.2
101.02334	0.4
105.03356	0.6
107.04983	0.2
109.02909	0.3
113.02424	0.3
115.01830	0.3
117.03388	0.6
117.99327	0.2
121.02899	0.3
122.03621	0.2
123.04462	0.4
125.02277	0.2
130.65251	0.2
132.02084	2.4
133.02885	37.9
134.03264	1.3
135.04454	11.9
136.04796	0.7
137.02383	0.6
145.02859	0.2
147.04501	0.3
148.05244	11.0
149.05606	0.3
159.04448	0.5
161.02393	100.0
162.02734	5.7
163.07605	3.8
173.04579	0.3
175.04018	0.4
178.02676	0.3
179.03462	8.0
180.03801	0.4
191.05612	0.6
193.05013	0.5
203.03462	1.2
209.15495	0.4
253.09341	0.3
275.20349	0.2
293.21335	0.7
331.19052	0.2
365.08856	8.1
366.09271	0.9
529.17279	36.6
530.17590	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	529.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88961	0.1
57.03322	0.1
59.01269	1.6
62.54456	0.1
64.14508	0.1
71.01276	0.4
77.03857	0.2
85.02847	0.4
87.00765	0.2
89.02341	0.2
89.03860	0.3
93.03368	0.3
95.04939	0.1
99.04439	0.2
101.02343	0.2
104.02611	0.1
105.03362	0.6
107.04947	0.2
108.02113	0.2
109.02858	0.2
113.02343	0.2
115.01810	0.4
117.03404	0.6
121.02872	0.3
123.04444	0.2
125.02355	0.2
132.02087	2.4
133.02884	38.9
134.03273	1.6
135.04449	11.1
136.04774	0.6
137.02342	0.6
147.04456	0.2
148.05243	11.3
149.05556	0.6
159.04475	0.4
160.01550	0.2
161.02393	100.0
162.02727	5.3
163.03964	0.2
163.07585	3.7
164.07884	0.4
173.04492	0.3
173.05914	0.2
175.03955	0.2
178.02632	0.2
179.03468	7.4
180.03813	0.4
191.05603	0.7
193.05009	0.2
203.03493	0.4
209.11873	0.1
221.04527	0.1
229.66946	0.1
235.25523	0.1
248.37138	0.1
284.20749	0.1
305.06567	0.1
323.07745	0.1
365.08847	5.2
366.09225	0.7
463.22684	0.2
487.16525	0.2
505.72903	0.1
529.17273	39.7
530.17590	7.4
558.06708	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	529.1575
Annotation	Pikuroside
Peak:m/z	Relative Intensity
54.68885	0.9
57.03326	1.0
59.01254	2.1
60.99185	3.0
67.01781	10.1
69.03333	2.1
71.01266	4.0
71.09007	1.2
71.09333	1.7
73.02858	1.1
81.03371	2.5
83.04922	1.7
85.02843	7.7
87.00772	14.1
93.03365	58.3
94.03706	3.3
95.70986	1.0
96.95920	2.7
99.00819	1.7
99.04438	1.1
109.02866	1.9
111.00802	1.6
111.04439	7.3
119.04971	4.5
121.02895	1.0
127.03938	1.8
129.01877	2.2
134.03676	18.2
137.02391	3.7
139.03894	1.1
145.02939	2.1
147.08611	1.0
149.06044	4.2
155.03494	1.5
160.01625	1.2
163.03989	2.2
171.03020	1.0
171.90292	0.9
173.04503	16.4
178.02681	8.2
179.03377	1.1
191.05598	100.0
191.49866	0.9
192.05968	4.6
193.05029	21.1
201.03987	1.9
217.74379	0.9
219.05107	2.9
327.08823	1.1
337.09317	2.5
346.51608	1.0
365.09113	1.1
367.06125	0.6
367.10416	18.2
368.10797	1.2
409.11530	2.4
469.22961	1.1
529.15765	75.5
530.16095	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	1.3
59.01265	4.9
60.99191	4.5
67.01778	12.8
69.03354	2.9
71.01270	7.7
73.02824	2.0
80.81266	0.7
81.03349	1.8
83.01294	0.7
83.04926	2.1
85.02856	2.9
86.02382	0.7
87.00778	19.3
89.02347	1.7
93.03364	75.5
94.03699	2.8
95.01305	0.7
96.95914	2.7
99.00776	2.4
99.04388	0.9
101.02343	2.6
108.02129	1.6
109.02837	1.6
111.04433	12.6
113.02357	1.9
115.03918	0.9
117.03389	1.1
119.04951	4.6
120.76875	0.7
126.90291	0.9
127.05048	2.1
128.03462	1.1
129.01814	3.3
134.03671	65.2
135.04059	2.3
137.02406	1.4
138.12029	0.7
143.03403	1.6
145.02884	4.9
149.06067	1.9
152.01099	1.3
155.03403	4.8
160.89259	0.8
163.04004	3.5
168.49698	0.8
173.04520	32.1
174.04774	1.2
178.02695	0.9
179.03435	1.6
191.05600	12.9
193.05049	46.8
194.05371	2.1
194.37041	0.7
198.64285	1.0
201.04047	3.3
211.07663	1.2
219.05125	2.6
237.09164	1.6
242.16862	0.7
252.93483	0.8
309.08047	0.8
323.17776	0.7
327.08710	2.8
328.09033	1.6
337.09381	6.2
355.10516	4.5
365.08801	2.0
367.10406	23.1
368.10938	1.2
469.23047	3.0
469.30179	0.7
529.15753	100.0
530.16107	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02389	0.5
55.01754	0.6
59.01256	1.6
61.98715	1.2
63.52713	0.5
69.81398	2.8
71.01276	2.0
72.99176	1.0
73.02831	0.8
75.00751	2.0
76.07001	0.5
78.95795	0.6
83.01272	0.7
85.02838	2.7
87.00784	1.2
89.02352	0.8
93.03340	1.0
95.01297	0.7
97.02878	0.5
98.20541	0.6
99.00819	1.0
99.04421	15.7
100.04753	0.7
101.02341	1.5
108.02077	42.8
109.02898	8.4
112.89337	0.5
113.02366	2.0
119.04920	0.7
120.99570	10.8
121.02872	1.2
123.00759	0.8
125.20652	0.4
134.03683	0.6
135.04413	1.2
151.03949	0.9
152.01093	100.0
153.01576	4.9
163.03955	3.1
173.04501	1.3
179.03473	0.9
191.05605	3.9
207.02927	0.7
226.28540	0.5
297.06470	0.6
315.07159	0.9
371.76047	0.5
429.10406	11.2
430.11154	1.5
447.11353	2.0
529.15729	83.4
530.16034	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	529.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.3
57.03311	0.4
59.01267	3.1
61.98709	0.6
68.99674	0.2
69.03339	0.7
71.01269	2.8
71.59878	0.3
71.60320	0.3
72.99190	1.9
73.02841	0.5
74.16125	0.2
75.00770	0.5
78.95808	0.8
81.03313	0.4
83.01304	0.6
83.93265	0.3
85.02850	3.1
87.00778	0.9
89.02330	1.2
93.03341	1.3
94.06705	0.3
95.01315	1.2
96.57507	0.3
96.95889	0.6
96.96871	0.3
97.02844	0.4
97.06516	0.3
99.00794	1.1
99.04423	16.8
100.04777	0.4
101.02366	1.3
107.04933	0.3
108.02081	48.4
109.02908	8.1
111.04394	0.5
113.02362	1.6
115.03908	0.3
117.03401	0.3
119.04950	0.8
120.99563	2.0
121.02848	1.0
122.03650	0.4
123.00768	0.5
123.04437	0.6
125.02367	0.3
129.01909	0.3
131.03461	0.3
133.02850	0.7
134.03662	1.3
135.02907	0.6
135.04457	1.6
137.02339	0.4
145.02943	0.4
147.04480	0.4
149.02405	0.4
149.04488	0.3
149.05991	0.3
151.00314	0.3
151.03949	0.9
152.01096	100.0
153.01682	4.6
155.03419	0.3
161.02362	0.8
161.04524	0.4
163.03958	4.4
165.01906	0.4
167.03407	0.4
173.04520	1.3
175.03978	0.7
177.01888	1.1
179.03455	1.2
191.05602	6.9
191.07333	0.4
192.05931	0.4
193.05052	1.0
207.02960	0.8
228.78053	0.3
263.07642	0.3
267.06754	0.3
281.08749	0.4
297.06219	0.7
315.07288	0.8
337.07187	0.3
355.07813	0.3
403.11472	0.3
429.10455	16.3
430.10840	1.3
447.11603	1.5
529.15723	96.1
530.16095	14.3
530.24390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.1
59.01266	8.5
60.99188	0.6
61.98710	1.7
65.03853	0.3
67.01779	3.8
69.03347	1.2
71.01273	6.8
72.49992	0.2
72.99215	1.3
73.02831	1.7
75.00764	1.2
78.95807	0.9
81.03342	1.0
83.01250	0.5
83.04929	1.1
85.02847	3.3
87.00784	1.7
89.02340	2.0
93.03362	23.7
94.03708	0.6
95.01296	0.6
96.95915	0.9
96.96819	0.3
99.00783	1.2
99.04419	0.4
101.02351	2.2
108.02052	0.3
109.02825	1.4
111.00819	1.1
111.04424	4.8
113.02367	3.4
115.03948	0.4
117.03396	1.8
119.03487	0.3
119.04951	0.7
125.02338	0.3
127.03943	0.5
129.01851	0.4
133.02879	1.2
134.03670	17.8
135.04480	4.6
137.02373	5.6
137.03278	0.2
148.91776	0.3
149.04654	0.4
149.06020	2.0
149.17053	0.3
155.03452	4.2
159.11749	0.6
161.02406	3.3
161.04480	0.7
163.03938	0.3
173.04515	100.0
174.04849	4.3
174.06236	0.4
175.03964	0.3
178.02615	0.6
179.03467	4.1
191.05598	10.2
192.05965	0.6
193.05042	16.8
194.05441	1.1
194.73979	0.3
203.10794	0.8
231.05104	0.3
239.94711	0.2
249.06195	1.8
267.07275	1.8
307.19241	0.6
335.07718	1.0
353.08911	3.2
354.09052	0.4
367.10428	43.3
368.10767	4.4
397.22552	0.5
453.18042	0.4
472.44647	0.3
485.20410	1.2
497.16809	0.6
529.20197	2.3
529.27478	6.6
530.21472	0.6
544.38538	0.3
545.96356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94220	0.3
54.05996	0.2
56.58867	0.3
57.03326	0.2
59.01271	0.7
60.91474	0.3
60.99189	0.9
67.01777	1.8
69.03333	0.5
69.51320	1.6
69.51743	0.8
71.01275	1.1
81.03359	0.5
83.04941	0.3
85.02845	3.8
87.00766	3.7
89.03874	0.6
91.05438	0.3
93.03356	13.8
94.03706	0.6
99.00755	0.4
99.04437	0.4
106.04112	0.3
106.04897	0.2
107.04950	0.6
109.02890	0.4
111.04418	3.3
113.02348	0.3
117.03365	2.1
127.03922	1.2
133.02879	2.3
134.03664	22.8
135.04448	36.3
136.04800	1.9
137.02336	0.4
149.06007	2.1
151.03847	0.3
155.03395	2.4
160.01630	1.0
161.02391	7.0
173.04507	11.6
174.04866	0.7
175.03983	1.0
179.03456	37.8
180.03780	2.2
191.05579	100.0
192.05917	4.0
193.05029	27.9
194.05365	2.0
335.07709	1.3
349.09448	2.6
350.09564	0.3
353.08832	47.8
354.09128	4.5
367.10400	45.5
368.10742	4.7
529.13818	1.3
538.36267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.3
59.01263	5.9
67.01761	3.0
69.03339	1.0
70.60650	2.4
71.01261	2.9
73.02840	1.8
75.00791	0.7
76.97380	0.7
78.95791	2.8
81.03352	2.8
83.04919	5.7
85.02850	4.7
87.00764	3.4
89.03858	1.4
90.78086	0.7
93.03359	21.4
96.95910	2.2
96.96889	1.9
99.04376	0.8
101.02373	0.8
105.03359	1.0
107.04918	1.4
108.02084	1.8
109.02850	3.2
111.00784	1.7
111.04433	19.9
113.02361	1.3
117.03368	7.9
121.02835	1.1
127.03895	2.4
132.02081	2.3
133.02876	15.1
134.03668	92.4
135.04463	76.7
136.04802	3.8
137.02373	14.9
149.02431	1.1
149.06015	7.5
150.94171	0.7
152.01060	0.9
155.03442	38.1
156.03714	1.3
159.04407	1.0
160.01599	9.5
161.02388	45.9
162.02744	2.6
163.03847	0.7
173.04514	86.2
174.04865	3.4
175.03960	12.3
177.01910	1.2
179.03464	69.0
180.03813	4.2
191.05573	30.6
192.05850	0.8
193.05038	100.0
194.05342	5.4
203.03487	1.9
211.07671	1.2
229.01421	1.0
233.09485	1.6
255.06711	2.4
269.08194	0.9
333.06454	0.9
335.07791	34.5
336.08096	3.5
337.07214	1.6
349.09390	21.3
350.09738	1.8
353.08859	31.0
354.09238	3.2
367.10428	32.3
367.21347	2.6
368.10831	2.7
446.54913	0.8
446.61023	0.8
529.13715	30.6
529.26727	3.4
530.13818	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	527.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17121	0.3
55.01767	0.8
57.03343	0.8
57.33788	0.2
58.00483	0.4
59.01265	100.0
60.01593	1.1
60.53746	0.3
61.98717	5.1
62.90186	0.3
63.07046	0.2
67.01788	0.3
69.03354	0.5
69.27547	2.2
69.27966	0.5
71.01273	15.5
72.01601	0.3
72.99208	0.6
73.02833	5.1
75.00757	0.5
78.67173	0.3
78.95817	0.6
81.03333	0.3
83.01283	2.0
85.02847	6.6
85.99973	0.3
87.00790	1.2
87.04419	1.6
89.02329	4.3
89.02827	0.3
93.03373	0.6
95.01314	0.8
96.95943	0.8
97.02876	0.9
99.00774	1.9
99.04434	0.4
101.02348	10.7
111.00823	1.1
113.02361	7.7
114.02741	0.3
117.03355	0.3
119.03411	1.6
125.02386	0.9
131.03467	0.4
133.02899	0.6
135.04506	0.4
136.06201	0.2
143.03441	1.2
159.03017	0.7
161.02428	1.5
161.04486	4.0
171.10283	0.5
173.04631	0.5
177.01848	0.3
179.03610	0.3
179.05605	0.5
191.05592	1.8
209.11929	0.7
291.19601	0.6
295.22897	0.3
307.23111	0.4
323.26062	1.8
355.87253	0.3
397.26221	1.1
449.29343	0.6
467.30231	21.0
468.30600	4.1
485.31308	15.0
486.31659	2.2
527.32074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55355	0.4
53.26749	0.4
55.01773	0.4
57.03333	1.1
58.00476	0.6
59.01265	100.0
60.01594	1.2
61.98718	8.2
64.28851	0.4
69.03359	0.6
71.01270	17.4
71.58720	0.4
72.99205	0.7
73.02837	5.0
78.95803	0.7
79.55675	0.4
83.01281	2.9
85.02844	7.0
85.99974	0.3
87.00795	1.4
87.04420	1.3
89.02336	5.5
93.03373	1.1
95.01304	1.7
95.69931	0.3
96.95945	1.4
97.02873	0.7
99.00777	1.9
101.02349	11.0
106.21192	0.4
109.68787	0.4
111.00804	1.0
113.02354	8.1
113.03074	0.7
119.03452	2.0
125.02394	1.3
129.01894	0.5
132.01971	0.4
133.02887	1.3
135.04449	0.9
143.03433	2.0
159.02962	0.6
161.02460	1.9
161.04503	4.5
171.10208	1.0
173.04547	0.7
177.01855	0.5
179.05580	1.2
191.05594	3.4
209.11909	0.7
251.35278	0.4
307.22787	0.4
323.26068	1.7
328.07019	0.4
397.26047	1.0
449.29428	0.9
467.30246	23.2
468.30594	4.2
485.31302	15.7
485.38245	0.8
486.31418	2.3
527.29395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
56.01723	0.3
57.03338	2.7
58.00481	0.7
59.01270	14.3
59.97499	0.3
67.01765	0.7
67.28419	0.3
68.41302	0.4
68.99707	0.7
69.03339	0.9
70.95280	0.8
71.01276	18.8
72.01587	0.4
72.99202	5.4
73.02844	1.6
74.72013	0.3
75.00771	16.0
83.01300	0.8
84.02057	0.5
85.02847	23.8
86.03188	0.8
87.00781	6.7
89.02346	4.3
91.03917	0.4
94.97974	0.7
95.01288	5.3
99.00784	10.0
100.37424	0.4
101.02338	0.7
103.00285	2.7
111.00810	0.7
112.01583	0.6
113.02365	30.6
114.02715	0.6
115.00277	1.7
117.01855	2.4
129.01886	2.0
132.32552	0.3
139.00250	0.4
149.04543	0.5
157.01364	1.0
175.02446	4.0
193.03546	1.1
205.07195	1.6
223.08238	0.8
231.05200	0.9
249.06192	6.5
250.06706	0.4
267.07291	8.1
268.07541	0.7
277.21793	51.3
278.22122	5.5
404.51837	0.4
409.13528	0.5
467.26248	0.5
509.28012	2.4
510.28296	0.7
527.28766	100.0
528.29156	16.5
528.37231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2542
Annotation	Chaetoglobosin C
Peak:m/z	Relative Intensity
57.18307	0.2
59.01266	0.9
61.98706	1.1
63.96121	0.8
66.47348	0.2
69.03340	0.6
70.88628	0.3
70.88951	0.4
71.01266	6.2
71.40765	0.2
73.02833	1.4
78.95760	0.4
78.98478	5.6
79.95621	7.6
80.96410	60.0
81.03370	0.6
83.55206	0.2
85.02843	2.2
87.00771	2.3
94.97984	13.9
96.95897	1.1
97.02840	1.3
99.00784	0.4
99.04405	0.4
101.02335	2.6
106.97990	3.0
122.97500	3.0
125.02369	2.9
127.03919	0.3
134.97508	4.3
136.99075	1.4
146.97493	0.4
148.74492	0.2
148.99083	5.4
149.00284	0.3
150.96994	0.3
152.98558	5.3
152.99550	0.3
164.98587	11.3
164.99989	0.6
165.98894	0.3
167.00114	0.3
172.27664	0.3
206.99715	2.3
225.00746	16.1
226.01053	0.6
227.20093	2.1
299.04459	3.4
300.04550	0.3
377.28311	0.3
416.96939	0.3
527.25427	100.0
528.25720	15.9
528.33850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2508
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
52.14796	0.6
54.88087	0.7
55.01739	0.7
57.03322	1.2
58.00476	1.0
59.01265	29.6
61.98701	1.0
67.01779	1.4
67.26024	0.7
69.03336	1.5
71.01270	16.3
71.04897	1.7
71.58234	1.2
72.99195	1.2
73.02824	1.6
78.95781	5.5
81.03330	1.5
83.01273	1.1
83.04906	0.8
85.02839	18.0
87.00768	3.5
89.02332	12.3
93.03357	7.3
95.01273	1.2
96.95908	1.5
96.96848	3.7
97.02849	47.7
98.03188	1.6
99.00761	1.4
99.04419	1.5
101.02331	8.7
107.04950	0.9
109.02857	4.2
111.04427	1.2
113.02338	5.3
119.03386	3.9
119.04907	1.8
121.06458	1.1
123.04427	1.4
123.08086	1.5
127.07574	5.3
129.01860	1.1
133.02870	3.9
133.10002	0.7
134.03659	1.8
135.04424	4.5
137.02348	2.2
143.03377	0.8
145.02882	1.2
155.03409	1.0
161.02362	6.5
161.04530	1.2
161.06029	3.0
163.03915	4.2
165.05515	10.0
173.04512	3.2
177.01933	1.1
177.12828	1.4
179.03459	2.5
179.05544	1.5
189.01894	1.0
191.05583	9.9
193.05109	1.0
199.14978	1.1
201.12848	2.3
205.08717	1.0
212.30977	0.7
219.13898	17.8
220.14221	1.5
223.09789	1.0
225.11349	0.8
225.17816	0.7
233.09456	2.9
237.15004	6.4
238.15276	0.7
243.13850	1.0
261.14951	0.8
265.05020	1.3
266.05811	2.2
285.18686	2.6
293.04581	2.4
294.05396	4.3
303.19766	1.5
311.16467	4.8
329.17606	21.4
330.17923	2.8
335.05936	0.8
338.04309	1.9
339.05157	2.3
347.18704	67.8
348.19083	8.9
353.06689	11.1
354.07172	1.5
365.18951	0.8
401.14709	1.0
406.98410	0.8
460.42020	0.8
467.24976	2.1
509.24039	3.0
527.12958	14.0
527.25092	100.0
528.12616	2.4
528.25470	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	21.8
60.43321	0.4
61.98708	1.4
71.01297	0.4
71.56691	0.5
77.58918	0.4
78.95789	13.4
80.96401	1.7
102.35274	0.4
118.30806	0.5
118.57868	0.4
119.92970	0.4
128.50703	0.4
133.02863	0.7
152.98477	0.4
152.99513	2.7
168.04213	2.5
214.62775	0.4
217.95146	0.5
224.06937	7.8
227.20171	100.0
228.20476	8.1
242.08023	1.8
452.27914	70.5
453.28220	9.5
527.25519	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90540	0.3
59.01275	1.5
59.22074	0.3
65.03852	0.7
69.03342	1.8
70.92127	0.5
70.92477	0.7
71.01276	1.2
73.53352	0.3
81.03383	0.4
83.04910	0.5
85.02855	1.0
87.00787	1.6
89.02354	0.4
89.03899	0.3
89.88628	0.3
93.03358	1.8
95.04935	0.4
97.02852	2.7
99.74065	0.3
101.02372	0.4
106.04141	0.3
107.04932	1.0
108.02034	0.4
109.02892	1.1
117.03384	7.6
119.04950	18.9
120.05296	0.8
121.02901	2.3
123.04449	0.6
129.01828	0.6
132.02090	0.7
133.02885	12.5
134.03702	5.0
135.04453	82.1
136.04794	4.1
137.02386	1.7
139.03946	1.0
141.01898	1.8
145.02892	27.0
146.03265	1.5
149.02438	0.8
153.01903	0.4
157.05099	0.4
157.06520	0.6
159.04428	0.6
161.02393	39.6
161.06042	0.9
162.02763	2.1
163.03958	20.4
164.04312	1.1
173.05991	0.6
177.01921	0.8
178.02657	3.2
179.03465	100.0
180.03809	5.7
187.03976	0.8
187.07529	0.5
191.05577	0.7
199.07686	1.4
201.04015	2.3
201.05571	0.4
203.07123	3.5
205.05022	0.7
215.07057	0.5
219.13889	0.6
229.05022	0.7
231.06491	0.4
243.06712	0.5
245.08144	0.5
275.09238	0.8
277.07266	1.3
303.08801	5.4
304.09219	0.5
319.08118	0.4
337.09122	0.4
347.07813	11.5
347.18750	1.3
348.08142	1.1
363.07309	0.3
365.08865	2.9
366.09229	0.4
381.08389	0.4
527.11938	8.2
527.24725	2.4
528.12073	1.8
528.25525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45910	0.5
53.03526	0.6
59.01253	2.1
61.16122	0.5
61.98716	13.3
63.02275	0.8
65.00212	1.2
69.03319	0.6
71.01260	1.9
71.57849	0.9
82.14130	0.6
83.01249	0.8
85.02818	1.6
87.00733	0.7
89.02308	0.6
92.64489	0.5
93.03343	2.2
95.01266	0.7
96.95889	0.8
97.02842	1.5
99.00791	1.1
99.04414	0.8
101.02364	0.9
107.01295	2.7
108.02066	3.5
109.02852	3.8
111.00793	0.9
113.02373	0.6
119.04944	1.6
121.02844	2.2
121.06487	0.7
123.00829	1.2
133.02827	1.0
135.00795	0.8
135.04446	3.4
137.02362	1.4
139.00285	0.7
141.01833	0.7
145.02847	1.3
148.01620	1.0
149.02306	0.7
151.00301	11.8
152.01045	2.1
153.01871	7.2
154.99825	1.1
156.66946	0.6
159.04393	0.6
161.02374	2.4
163.00293	2.4
163.03931	1.5
164.01074	0.7
164.51147	0.5
167.50430	0.6
169.01424	1.2
173.04489	1.0
177.01770	0.8
178.99837	5.1
179.03453	5.8
181.01340	0.7
190.99678	0.6
191.05548	3.1
194.01057	0.9
199.03928	0.6
203.01900	1.1
209.00909	0.6
211.03929	1.0
215.03493	0.7
216.04163	0.8
226.02681	1.1
227.03485	2.2
228.04025	0.6
229.05110	0.8
239.03314	0.7
243.02974	8.7
243.91147	0.6
244.03307	1.0
245.04623	1.5
254.02226	2.6
255.03023	25.9
256.03418	2.0
271.02527	54.6
272.02921	5.8
273.03922	0.6
283.02481	1.0
294.05396	0.7
299.02103	1.2
300.02811	95.5
301.03491	39.5
302.03934	2.4
345.17148	1.4
346.17603	0.8
353.06650	3.0
421.29233	0.6
463.08914	100.0
464.09192	13.8
527.12726	5.5
527.24994	1.2
536.78046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	5.6
61.98721	26.2
65.00218	1.0
69.03339	3.8
70.42303	1.9
70.42702	1.8
71.01273	4.4
72.99212	3.9
73.02829	1.8
76.75768	0.7
78.95805	1.4
80.96429	1.8
83.04930	1.8
85.02861	2.5
87.00783	1.4
89.02340	2.1
89.07701	0.7
93.03360	4.1
95.01296	1.1
96.95928	1.6
97.02869	2.6
99.00804	1.2
99.04444	0.9
101.02348	2.3
107.01293	2.1
108.02080	5.7
109.02856	5.7
111.00763	1.2
113.02351	1.8
117.03342	1.2
119.04908	1.6
121.02888	2.0
123.00746	0.9
125.02388	0.9
133.02849	2.0
134.03716	1.2
135.04456	7.2
137.02412	1.5
139.03944	0.9
140.47704	0.7
141.01851	0.8
145.02873	1.7
151.00333	7.2
152.01079	4.8
153.01886	12.1
161.02356	3.9
163.00262	1.4
163.03970	2.8
169.01447	1.0
173.04584	0.8
178.99857	4.2
179.03439	7.6
185.00858	2.3
191.05574	3.8
194.00967	0.9
200.66541	0.9
203.01939	10.9
203.03600	0.9
209.87990	0.7
227.03490	1.4
243.03093	6.7
254.02269	1.6
255.03020	14.8
256.03436	1.6
271.02530	35.6
272.03079	3.4
283.02466	1.1
294.05423	1.3
299.02106	0.8
300.02820	76.9
301.03540	31.7
302.03940	2.5
338.04181	0.9
345.17224	1.1
347.18805	1.4
353.06671	5.8
365.05289	2.4
365.19647	1.1
427.09195	0.9
445.11731	1.1
463.08951	100.0
464.09375	14.5
465.30844	3.3
466.31216	1.0
509.12665	1.0
526.22955	1.7
527.12177	7.1
527.25195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.308
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
55.01769	0.4
57.03334	0.6
58.00481	1.0
59.01266	100.0
60.01602	1.3
61.98719	10.7
69.03345	0.8
71.01270	22.6
71.57087	0.3
71.57526	0.3
72.01614	0.6
72.99199	1.3
73.02840	16.0
75.00764	0.7
78.65427	0.3
78.95805	0.7
81.03390	0.3
83.01286	4.8
83.04926	0.4
85.02849	4.4
87.00777	1.0
87.89378	0.2
89.02338	10.5
92.07185	0.3
95.01299	1.6
97.02844	0.5
99.00794	0.6
99.04423	0.7
101.02348	17.4
102.02754	0.3
113.02361	12.8
119.03417	4.6
121.02856	0.3
125.02386	1.1
131.03450	1.8
133.02884	0.4
143.03438	1.8
149.04482	1.3
154.97955	0.2
155.03494	0.5
161.02496	1.1
161.04498	4.7
171.10274	0.5
179.05579	1.8
191.05600	0.6
195.06671	1.1
196.07034	0.4
197.07251	0.3
197.11926	0.4
203.05569	0.3
207.10416	0.3
209.11815	0.3
221.06577	0.4
311.22519	0.4
363.21786	0.5
382.29767	0.3
420.47229	0.3
465.28625	1.8
466.28824	0.4
481.20541	0.4
483.29712	1.5
507.24176	0.9
508.23669	0.3
525.30939	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.7
66.18607	0.8
69.56060	3.1
69.56490	3.5
70.68496	0.8
81.64069	0.8
85.06486	3.6
87.00780	10.6
115.55939	0.8
127.11199	0.8
141.12794	15.1
142.13094	1.1
198.79425	1.0
251.23849	10.4
293.28619	1.1
309.28082	3.3
321.28156	5.8
335.29636	100.0
336.29965	14.8
445.40619	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	525.308
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
55.01765	0.3
57.03334	0.4
59.01265	100.0
60.01598	1.2
61.98732	0.3
71.01273	6.7
72.99213	0.3
73.02837	1.7
78.95805	0.3
81.03346	0.1
83.01283	1.1
85.02843	3.0
87.00761	0.3
89.02344	2.6
93.03374	0.1
95.01311	0.6
98.20521	0.3
99.00793	0.6
101.02349	4.4
113.02366	4.6
114.02702	0.2
118.95174	0.1
119.03444	0.8
119.04942	0.3
125.02400	0.3
131.03419	0.2
132.89853	0.2
143.03453	0.6
145.02962	0.4
151.07565	0.2
153.01868	0.5
159.02943	0.7
160.01610	0.1
161.04500	4.0
162.04773	0.2
163.03993	0.2
173.04585	0.2
175.03870	0.3
179.05548	0.3
182.70398	0.1
191.05566	0.3
191.54315	0.1
195.06676	0.5
197.60164	0.1
205.03630	0.2
248.68283	0.2
297.11664	0.1
417.26804	0.2
447.27600	1.6
448.28342	0.2
465.28677	8.3
466.28955	1.5
479.26715	0.2
483.29745	1.3
484.30283	0.2
525.31006	0.7
526.31055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01035	0.1
59.01268	1.4
60.48423	0.1
61.41886	0.1
61.98713	0.4
71.01260	0.5
71.18162	0.2
71.18531	0.2
73.02811	0.2
80.02553	0.2
83.01279	0.1
85.02834	0.2
87.00767	0.3
89.02316	0.1
91.78071	0.1
93.03362	0.3
95.04964	0.1
101.02347	0.3
108.02081	24.5
109.02344	0.8
109.23875	0.1
111.00768	0.2
117.03383	0.1
119.04932	0.2
121.02856	0.2
123.04445	13.1
124.04760	0.5
125.02323	0.1
132.02135	0.2
133.02899	0.2
134.03639	0.2
137.02402	0.1
139.03958	0.2
145.02902	0.4
149.02403	0.1
152.01097	37.7
153.01433	1.3
153.05504	0.3
154.99220	0.1
160.01625	0.4
161.02444	0.1
162.25954	0.1
163.03989	0.2
167.03455	100.0
168.03801	4.7
173.04541	0.2
175.03973	0.9
177.01843	0.3
183.13907	0.2
191.05576	0.3
193.05049	0.2
209.04532	0.2
213.14970	0.4
226.11365	0.1
311.07788	0.1
439.82928	0.1
463.67813	0.1
479.26663	0.4
525.23712	2.1
526.24133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25222	0.1
59.01266	2.4
61.98723	0.7
62.50900	0.1
67.01765	0.1
69.03371	0.1
69.62154	0.1
71.01280	0.7
71.63146	0.1
72.35223	0.1
73.02831	0.3
80.02598	0.2
81.03357	0.3
83.01261	0.2
83.04884	0.1
84.37870	0.1
85.02850	0.4
87.00770	0.5
89.02321	0.2
93.03365	0.6
95.01289	0.2
95.04949	0.3
96.95937	0.2
101.02342	0.5
108.02085	25.5
109.02343	0.7
111.00769	0.2
113.02354	0.5
117.03321	0.2
119.04960	0.5
121.02915	0.2
122.03671	0.2
123.04447	14.2
124.04768	0.5
126.80014	0.1
132.02095	0.5
134.03680	0.7
135.04434	0.1
139.03976	0.3
145.02885	0.8
147.04454	0.3
149.02422	0.2
152.01099	40.9
153.01421	1.5
153.05582	0.2
154.81151	0.1
160.01616	1.8
161.02466	0.2
163.03970	0.5
166.02518	0.2
167.03458	100.0
168.03790	4.9
173.04543	0.7
175.03973	2.5
176.04385	0.2
177.01863	0.2
178.02676	0.1
191.05634	0.3
193.05052	0.7
201.04027	0.2
209.04568	0.2
213.14890	0.2
226.06570	0.1
331.19379	0.1
337.09058	0.1
479.26563	0.5
525.15308	0.2
525.23572	2.7
526.23792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15697	0.4
55.01772	2.1
57.03337	1.9
58.00481	0.6
59.01268	22.4
61.98703	1.0
69.03348	1.0
71.01271	35.6
72.01581	0.6
72.99200	2.1
73.02839	13.7
75.00768	0.8
78.95794	1.4
80.96426	0.4
81.03339	0.8
81.76918	0.4
83.01276	4.0
85.02850	14.4
85.03362	1.0
86.03165	0.5
87.00775	2.7
89.02342	13.0
95.01286	2.2
96.95924	0.5
96.96848	0.7
97.02852	2.6
99.00785	8.4
101.02351	28.4
102.02673	0.4
106.86749	0.4
111.00784	1.2
113.02357	13.1
115.03916	1.4
117.68477	0.4
119.03425	2.0
119.04949	1.1
125.02380	2.5
125.03166	0.4
125.09629	0.4
129.01843	0.6
131.03410	1.9
141.95720	0.5
143.03426	1.6
145.02914	0.4
149.04529	2.4
159.02948	2.8
161.04507	9.3
163.03981	0.7
171.13924	0.5
173.04565	0.6
177.01865	1.5
191.05618	2.3
193.20367	0.4
233.06693	1.3
293.08841	1.6
333.19247	16.0
334.19528	0.9
402.22739	0.4
403.80695	0.4
451.63684	0.5
465.23505	100.0
466.23889	14.8
525.16901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21716	0.6
51.22020	0.5
55.93934	0.7
57.03320	0.8
59.01265	40.0
60.01587	1.0
61.98719	5.8
68.52101	0.6
71.01270	7.3
71.59478	0.6
73.02837	2.6
75.26846	0.5
78.95794	0.9
79.30236	0.6
81.03348	0.7
83.01270	1.2
85.02837	2.3
86.19119	0.7
87.00765	0.6
89.02350	2.9
93.03414	0.7
95.01318	1.0
98.08707	0.7
99.04440	0.9
101.02332	4.4
109.06419	0.6
113.02355	2.8
121.02883	1.0
125.02368	1.7
132.02135	1.4
133.02882	35.7
134.03551	1.3
135.04449	10.1
137.02348	1.2
150.68893	0.6
151.07574	5.3
159.04401	1.0
161.02391	100.0
162.02733	6.2
179.03488	6.0
181.05058	1.0
191.05554	3.2
195.06616	19.9
196.06960	1.3
227.12840	0.8
272.15997	0.7
311.22296	1.2
312.38647	0.7
410.02084	0.7
439.19778	3.2
465.28580	1.1
481.20914	55.4
482.21301	8.9
507.24231	1.8
525.23895	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	525.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.4
61.98719	0.4
63.01884	0.3
67.00939	0.2
69.03342	1.8
70.49288	0.6
70.49659	0.6
71.01273	1.0
73.02844	0.5
83.01294	0.8
85.02850	1.2
87.00771	12.9
89.02373	0.4
89.03848	0.5
93.03354	0.5
95.04919	0.3
97.02848	2.0
98.20452	0.3
99.04422	1.6
99.44207	0.2
101.02351	0.7
108.02074	0.3
109.02848	0.4
111.00790	2.0
111.04392	0.6
113.02365	0.7
117.03371	1.4
119.04927	0.5
121.02866	0.3
123.04403	0.5
125.02309	0.3
129.01857	1.6
132.02098	18.3
133.02577	0.5
134.03668	16.1
135.03996	0.6
137.02385	0.8
139.03960	0.5
141.01859	1.3
145.02913	0.3
147.04459	5.6
149.06012	2.4
151.07487	0.3
160.01610	75.4
161.01982	4.3
161.06029	0.8
173.04558	0.3
175.03966	100.0
176.04306	5.8
178.02676	2.1
179.03349	0.3
183.02927	1.5
191.05626	0.4
193.05040	19.8
194.05383	1.3
195.06598	1.6
196.06950	0.9
201.04036	5.8
233.08226	0.7
247.06219	0.3
252.16881	0.3
281.90427	0.3
331.08453	1.3
331.19351	0.6
347.18640	0.3
349.09326	2.7
377.08862	3.0
378.09378	0.4
383.13721	0.4
415.50537	0.3
437.12311	0.7
525.14142	15.1
525.22998	0.9
526.14465	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	525.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.8
57.03332	3.0
58.00485	0.6
59.01266	31.3
61.98722	9.6
64.50677	0.5
65.03842	1.0
67.01769	1.4
68.99705	3.2
69.03338	10.6
71.01275	17.3
71.29374	1.2
72.01599	0.7
72.76943	0.5
72.99188	1.7
73.02852	3.1
75.00755	1.1
77.03871	3.6
77.66238	0.5
78.95786	1.3
81.03354	4.2
83.01273	4.7
83.04919	3.3
84.02090	0.9
85.02844	9.7
87.00776	57.4
88.01084	0.8
88.10940	0.5
89.02348	4.0
91.01792	2.0
93.03373	5.9
95.01290	2.1
95.04926	2.7
96.99201	1.1
97.02855	11.9
99.00785	5.6
99.04422	1.8
101.02345	1.5
107.04962	0.7
108.02081	1.5
109.02872	7.0
111.00797	4.6
111.04433	4.4
113.02366	3.9
113.05932	0.7
114.99475	1.2
115.00291	24.1
115.03931	0.7
115.05449	1.8
117.03405	3.8
119.04943	1.8
121.02837	2.7
122.03670	0.7
123.00774	0.7
123.04437	4.6
123.08036	0.9
124.01592	0.9
127.03942	1.2
129.01883	3.5
131.03329	0.6
133.02901	3.2
134.03671	25.1
135.04398	2.3
137.02353	2.1
139.00339	0.8
139.03931	2.1
141.01892	3.9
145.02885	4.3
146.03638	1.7
146.10849	0.5
147.04453	15.9
148.01639	1.0
148.04848	1.0
149.05998	3.6
152.99562	0.6
153.01871	2.6
155.03397	0.7
157.01376	0.7
157.04996	0.8
158.03670	2.4
159.04468	4.3
160.01613	1.3
160.05093	0.7
161.02408	5.2
161.04556	0.7
161.06000	1.2
163.03975	2.8
171.10191	1.1
173.04520	2.3
173.05952	1.2
175.03947	2.4
178.02733	2.3
179.03453	1.6
183.02916	3.1
191.05597	5.2
192.04272	0.7
193.03329	1.1
193.05040	19.8
194.05380	1.0
195.06534	1.2
195.08255	0.9
201.04036	100.0
202.04369	4.0
210.06857	65.0
211.07341	6.4
219.08115	0.8
222.06851	0.9
225.09227	44.1
226.06317	0.8
226.09618	4.4
234.06978	0.8
235.07666	14.4
236.08412	8.7
237.09169	4.7
238.10022	7.7
239.10454	0.8
247.07687	0.9
249.05972	0.6
249.09145	1.0
251.10791	1.3
253.07178	0.8
253.12373	1.8
263.07132	6.6
264.07986	9.6
265.08298	1.8
279.10358	6.7
295.09650	0.6
297.11417	8.2
298.11804	1.1
299.04193	5.0
299.10843	0.6
308.06979	2.4
323.09375	11.6
324.09726	1.4
331.19342	2.6
341.10379	65.7
342.10742	8.1
345.17282	0.7
349.20325	3.2
363.18335	1.4
428.09503	1.9
481.14993	1.0
511.75323	0.6
525.14124	14.8
525.22302	0.6
526.14575	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	523.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
59.01265	14.8
59.69803	0.4
61.98708	1.6
69.03339	7.2
71.01266	6.9
71.04869	0.4
71.57225	0.4
71.57700	0.8
73.02834	2.1
75.00754	0.6
81.03367	0.6
83.01253	0.7
85.02847	5.3
87.00772	0.6
89.02316	0.9
90.79243	0.5
95.01272	0.8
97.02871	0.8
99.04406	2.3
101.02335	3.3
113.02354	7.2
125.02352	1.7
127.07617	0.5
131.03378	0.7
143.03450	6.5
153.01790	0.7
161.04543	0.5
162.06737	0.7
164.95825	0.4
191.05542	0.7
217.00241	0.5
275.23849	3.4
276.24069	0.7
301.22037	0.9
319.22839	100.0
320.23135	10.9
333.24561	0.8
343.22885	3.4
344.23044	0.5
361.23889	1.9
373.23810	0.8
463.27356	1.4
465.94168	0.6
481.28152	1.1
523.29120	7.1
524.29962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42135	0.1
51.76484	0.1
54.69115	0.2
55.01770	2.0
57.03339	3.5
58.00482	1.2
59.01265	26.7
60.01610	0.1
61.98714	0.3
67.01778	0.2
68.99698	0.2
69.03352	0.5
69.38439	0.1
71.01271	31.8
72.01623	0.5
72.99207	1.8
73.02837	7.0
75.00770	0.7
83.01284	3.5
84.02029	0.2
85.02847	14.1
86.00010	0.3
86.03196	0.3
87.00771	1.7
87.04412	0.7
89.02341	11.8
93.03376	0.4
95.01286	2.8
96.96892	0.2
97.02866	0.6
97.06519	0.3
99.00789	3.4
101.02350	18.4
102.02704	0.4
105.49098	0.1
109.06541	0.2
111.00784	2.2
111.04456	0.2
111.08089	0.2
113.02357	10.7
114.02711	0.4
117.03369	0.2
119.03423	3.7
119.04955	0.7
122.05981	0.2
123.08070	0.4
125.02380	0.4
127.11189	0.3
129.01872	0.9
131.03453	0.3
134.03668	0.3
135.04485	0.3
135.08115	0.2
139.00381	0.2
141.01854	0.2
141.09137	0.4
143.03438	0.8
143.10741	0.3
145.02914	0.4
149.04506	0.5
150.91193	0.1
152.07137	0.4
153.09169	0.3
159.02954	1.6
160.01596	0.5
161.02400	0.2
161.04509	4.0
162.04680	0.2
163.03986	0.7
169.12315	0.3
171.13850	1.5
173.04500	0.5
173.11813	0.2
179.05608	0.7
187.13376	0.8
191.05566	1.4
193.05049	0.4
200.14133	0.2
201.14946	1.7
217.14436	0.5
218.94986	0.1
229.60318	0.2
271.34402	0.2
273.24789	0.2
315.25497	0.6
331.17792	0.2
341.26859	0.2
343.28595	0.2
359.28085	1.4
361.29678	16.2
362.29980	2.1
463.21872	1.4
523.34979	100.0
524.35333	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2928
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
54.34705	0.1
55.01774	2.2
57.03341	2.3
58.00488	1.0
59.01268	61.3
60.01606	1.2
61.01700	0.3
61.98719	0.2
67.01794	0.4
68.99683	0.3
69.03346	1.6
70.87122	0.1
71.01273	25.8
71.63174	0.2
72.01620	0.6
72.99204	1.4
73.02840	9.8
74.03194	0.1
75.00775	0.5
81.03331	0.2
83.01279	5.3
84.02090	0.2
85.02850	16.9
85.99996	1.6
86.03192	0.4
87.00778	1.6
87.04411	0.2
89.02343	2.7
93.03362	0.2
95.01293	2.8
96.01658	0.2
97.02863	1.3
99.00783	4.0
101.02355	20.1
102.02687	0.5
108.02077	0.1
111.00758	0.6
112.01579	0.4
113.02361	11.7
114.02719	0.3
119.03420	0.8
119.04910	0.3
124.01571	0.1
125.02416	0.9
129.01880	0.5
131.03471	0.2
136.85391	0.1
140.17082	0.1
141.64142	0.1
143.03459	1.1
145.02896	0.2
159.02959	1.4
161.02470	0.2
161.04523	5.2
163.04112	0.1
173.04480	0.2
174.34134	0.1
191.05583	0.7
205.03506	0.2
213.15022	0.3
255.70209	0.1
275.23868	1.4
285.72485	0.1
301.21436	0.1
319.22861	1.3
361.18628	0.5
405.67538	0.1
419.28052	0.2
437.29160	2.7
438.29315	0.4
463.27014	4.3
464.27383	0.8
481.28189	7.6
482.28409	1.2
505.28342	0.2
523.29242	100.0
524.29584	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	523.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	4.9
61.98719	0.3
67.01774	0.3
69.03344	8.8
69.08837	0.2
70.03671	0.2
71.01271	2.2
71.04923	1.0
72.04433	0.2
73.02834	1.4
75.00766	0.4
75.67635	0.2
83.01257	0.3
85.02843	0.8
90.70445	0.2
91.98304	0.2
93.03387	0.3
95.04959	0.3
97.02868	0.3
99.04465	0.2
101.02335	1.0
113.02353	1.3
125.91142	0.2
133.02933	0.2
134.03676	0.8
140.76321	0.2
143.03432	0.4
155.03502	0.2
160.01639	0.4
165.12807	0.8
175.03947	0.5
187.91519	0.2
191.05608	0.4
193.05043	1.0
202.05470	0.2
203.05467	0.2
211.21695	0.2
217.00328	0.2
229.60129	0.2
275.23868	8.3
276.24252	1.1
301.21820	0.6
309.09772	0.2
319.22852	100.0
320.23206	12.3
320.27039	0.4
331.19360	0.6
333.24377	1.2
334.24957	0.3
343.22861	3.1
344.23154	0.3
357.77768	0.2
361.24124	1.3
373.23898	0.8
391.25131	0.5
463.27020	0.3
523.28949	0.6
524.29694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2925
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.01773	2.4
57.03337	2.7
58.00484	0.7
59.01266	53.1
60.01603	0.8
62.68137	0.2
63.96909	0.2
67.01784	0.3
68.99708	0.4
69.03333	1.3
69.57418	0.2
69.75280	1.2
71.01271	23.8
72.01630	0.5
72.99210	1.4
73.02838	9.3
74.16951	0.2
74.58888	0.2
75.00761	0.4
80.96453	0.2
81.03344	0.2
83.01276	5.3
84.02122	0.2
85.02844	16.3
85.99984	1.3
86.03185	0.4
87.00783	1.5
89.02338	2.8
93.03355	0.5
95.01279	2.5
96.84424	0.2
97.02859	1.2
99.00782	3.4
99.04419	0.2
99.09674	0.2
101.02350	17.4
102.02692	0.5
109.02865	0.7
110.57010	0.2
111.00795	0.7
112.01566	0.6
113.02362	10.5
114.02670	0.3
115.03957	0.3
119.03433	1.1
119.04935	0.5
122.71039	0.2
123.08141	0.2
125.02360	0.9
129.01855	0.5
131.03439	0.3
135.04442	0.3
141.01779	0.2
143.03476	1.2
145.02917	0.2
147.02953	0.2
153.01866	1.1
159.02917	1.6
161.04518	4.3
163.03857	0.3
164.20795	0.2
165.81239	0.2
173.04468	0.3
191.05618	1.7
205.03461	0.2
217.92409	0.2
237.95824	0.2
275.23932	1.0
302.14261	0.2
319.22882	1.0
329.17685	0.3
361.29538	0.6
437.29248	2.7
438.29800	0.4
463.20792	0.4
463.27121	6.3
464.27344	1.2
481.28214	7.3
482.28659	1.0
505.28085	0.4
523.29150	100.0
524.29510	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	523.2921
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.01770	1.1
57.03337	1.9
57.12117	0.3
58.00477	0.8
59.01266	52.6
60.01603	0.6
61.98721	2.6
62.44724	0.3
67.69061	0.3
69.03368	0.6
69.98284	0.7
69.98673	0.6
71.01271	23.2
72.99186	1.7
73.02837	12.0
74.03193	0.3
75.00761	0.5
78.95821	0.3
83.01283	5.5
83.37367	0.3
85.02843	11.4
85.99986	0.4
87.00764	1.5
89.02340	5.1
93.03390	0.3
95.01286	2.1
96.95920	0.4
97.02861	0.8
99.00761	2.6
99.04440	0.6
101.02351	16.5
102.02680	0.3
102.98532	0.3
111.00807	0.5
111.04412	0.3
112.01575	0.5
113.02362	11.0
115.03934	0.5
119.03434	2.1
123.08044	0.3
125.02348	0.4
129.01880	0.5
131.03415	0.7
133.02838	0.3
135.04449	0.4
143.03441	1.2
154.00577	0.3
159.02928	0.8
161.02385	1.3
161.04491	2.7
173.04517	0.5
178.90703	0.3
179.31805	0.3
189.12822	0.4
191.05618	0.7
195.06660	0.8
259.20755	0.8
273.22397	0.7
275.23923	1.2
301.18558	0.5
301.21802	7.4
302.22186	1.0
303.23325	0.5
316.79031	0.2
319.22864	4.3
320.23291	0.6
349.18747	0.3
437.29068	0.8
463.27219	8.8
464.27454	1.1
481.28128	10.5
482.28558	1.4
523.29242	100.0
524.29590	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	523.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03391	0.4
59.01014	2.3
59.01346	16.2
61.98803	3.2
65.31500	0.3
69.03022	1.1
69.03439	9.1
70.36983	1.1
71.01362	2.5
71.04977	0.9
73.02935	1.4
75.00822	0.5
78.95905	2.5
81.88718	0.4
83.01363	0.6
83.04980	0.5
84.52056	0.4
85.02951	1.1
87.00883	0.7
88.98790	0.4
89.02425	0.9
99.04430	2.8
101.02460	1.6
113.02482	1.1
119.04917	0.4
131.03609	0.6
135.04572	0.5
143.03609	0.4
152.99541	4.2
161.02403	0.9
162.02840	0.5
165.12881	0.9
165.55064	0.3
171.10175	1.8
186.60281	0.4
191.05713	1.0
195.13878	1.9
222.25201	0.4
227.03346	0.5
256.01944	0.4
275.23874	6.3
276.24289	0.9
277.21786	3.6
278.22061	0.4
295.22870	11.2
296.23215	1.4
299.01901	0.5
301.21777	0.6
303.23315	0.9
318.94467	0.4
319.22842	100.0
320.23187	12.5
333.24319	0.9
343.22867	3.0
361.24164	0.5
373.23883	0.9
481.27930	0.5
487.34595	2.2
523.27039	13.4
524.27386	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	523.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37329	0.2
57.03336	1.5
59.01267	7.2
61.98713	2.3
70.53008	0.2
71.01272	0.8
71.59480	0.6
78.95796	11.1
83.04948	0.3
85.02843	0.5
85.06525	0.3
87.45052	0.3
89.02354	0.5
93.03315	0.4
96.96857	0.9
97.06484	0.4
99.04421	2.7
113.02341	0.4
113.09626	2.4
133.02850	0.3
135.04482	0.7
137.09760	0.3
140.03223	0.4
152.99529	14.5
157.08633	0.4
161.02388	1.0
163.07620	3.0
171.00565	2.2
171.10233	0.3
173.04515	0.5
177.12859	0.7
179.03403	0.4
179.14380	1.5
181.12244	0.6
183.10243	0.4
191.05641	0.6
193.08678	0.4
195.13882	22.5
196.14259	1.7
227.03276	1.0
245.04379	2.4
251.23874	0.6
259.20740	0.5
271.02463	0.4
273.22293	7.0
274.22675	0.8
277.21783	18.7
278.22156	1.7
295.22845	100.0
296.23196	11.0
301.21866	0.5
319.22845	22.4
320.23129	2.6
329.23514	0.9
336.59375	0.3
359.24472	2.6
392.40485	0.3
463.32898	0.4
523.26837	64.2
524.27240	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	523.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03360	0.3
58.00510	0.3
58.84161	0.2
59.01263	8.0
60.01662	0.3
61.98712	1.6
66.03529	0.2
69.03344	8.6
71.01272	1.8
71.04932	0.8
73.02839	1.6
75.00783	0.5
78.95791	3.3
83.01286	0.4
83.04951	0.3
85.02881	1.1
85.97611	0.2
87.00810	0.6
88.98741	0.3
89.02362	0.5
93.23795	0.2
97.06563	0.3
97.35707	0.3
98.19856	0.7
99.04459	0.9
101.02364	1.2
102.02551	0.2
110.45016	0.2
112.95879	0.2
113.02399	1.2
122.71791	0.3
125.02357	0.5
133.02896	0.4
135.04420	0.4
143.03447	0.3
152.99522	5.5
155.03465	0.3
161.02417	0.6
162.06741	0.3
165.12831	0.3
171.00572	0.4
171.10196	1.5
173.04514	0.5
191.05659	0.5
195.13869	2.5
227.03253	0.5
245.04443	0.4
271.02838	0.3
273.22342	0.3
275.23843	6.4
276.24295	0.9
277.21768	3.9
278.22229	0.5
293.21280	0.3
294.21790	0.3
295.22839	11.6
296.23096	0.9
299.02020	0.3
301.21823	0.6
303.23163	0.3
319.22839	100.0
320.23184	12.4
333.24313	0.9
343.22736	2.5
344.23184	0.4
361.23880	1.0
373.24081	0.7
391.01990	0.3
449.23569	0.3
459.50339	0.3
463.27341	0.4
523.26880	14.6
524.27246	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	523.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64985	1.4
59.01266	100.0
60.01596	1.9
61.98715	5.2
71.56806	2.0
78.95811	1.5
80.65318	1.1
85.02864	1.3
87.00777	7.7
93.03396	1.8
96.95908	1.3
99.04431	17.1
120.07461	1.1
133.02885	6.8
135.04431	5.3
161.02333	1.8
166.05878	1.2
173.04553	1.2
179.03482	2.4
191.05608	2.4
242.02248	1.7
243.03053	2.4
270.01648	2.2
271.02573	4.3
299.02002	4.7
300.02667	2.2
313.03635	6.9
314.04398	4.5
400.11810	1.3
418.63242	1.2
463.23260	2.8
523.25769	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.9
57.03324	1.8
58.00473	1.0
59.00994	0.8
59.01271	13.4
61.98713	1.6
64.54980	0.5
70.93650	1.5
71.01276	31.6
72.01579	0.5
72.99207	2.1
73.02843	11.3
75.00768	1.8
75.73560	0.4
78.95792	0.7
81.03301	0.5
83.01273	4.3
85.02849	13.6
87.00768	2.6
89.02345	9.7
93.03368	1.7
95.01276	1.9
96.95918	3.9
97.02840	2.0
98.89878	0.6
99.00787	6.8
99.04417	0.9
101.02352	23.0
111.00779	0.8
113.02367	15.4
115.03907	1.1
119.03426	0.6
119.04943	0.8
125.02363	2.4
127.03999	0.5
129.01842	1.0
131.03398	1.7
134.03639	1.0
135.04436	1.0
137.02417	0.9
143.03477	1.4
149.04517	1.3
155.71217	0.5
159.02945	2.7
161.02477	0.8
161.04509	17.9
162.04793	0.7
162.82547	0.4
165.05490	0.7
166.96101	0.5
179.03499	1.1
179.05641	0.5
191.05591	8.2
191.07198	1.0
193.04980	0.7
194.05688	0.8
195.06589	0.8
209.08162	1.6
233.06718	1.6
267.07062	0.7
331.17694	13.3
332.17969	1.1
337.16287	0.5
391.23465	1.4
463.21967	100.0
464.22299	13.8
479.17719	2.2
523.28430	7.3
524.28595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.7
55.26602	0.8
57.03317	1.5
58.00471	2.5
59.01265	53.2
61.98716	1.3
67.37703	0.8
69.03317	1.1
71.01273	48.1
71.59026	1.6
72.01591	1.3
72.99204	2.6
73.02841	15.3
73.66487	1.0
75.00769	2.0
81.13535	0.8
83.01279	2.6
83.76386	0.8
85.02848	13.6
87.00775	3.3
88.98695	2.6
89.02339	53.5
90.02670	1.7
93.03360	2.6
95.01289	2.4
96.95911	3.9
97.02853	1.8
99.00780	16.0
101.02347	39.8
102.02649	1.5
109.02863	2.1
111.00793	2.2
113.02361	12.7
119.03400	4.3
121.02887	1.3
123.04449	1.6
125.02352	5.1
129.01897	1.3
131.03436	14.5
133.02847	3.9
135.04471	6.1
137.02344	2.6
143.03392	3.1
149.03296	1.9
149.04492	35.2
151.03951	1.2
159.04514	1.0
161.02426	11.1
161.04474	9.1
162.02728	1.2
169.10104	0.9
173.04552	5.8
177.01923	1.6
179.03470	6.5
191.05579	22.7
192.05873	1.3
193.01469	1.0
194.74779	0.8
221.06630	1.5
229.01399	1.0
249.06175	2.1
251.07771	4.2
259.49677	0.9
267.07077	1.6
275.27676	0.9
279.69095	0.9
293.08728	3.2
311.10004	1.5
319.24762	0.9
327.12466	1.9
331.17642	8.7
339.05057	1.8
353.08823	2.7
361.08307	1.4
364.96817	1.0
463.21967	100.0
464.22275	15.2
523.24042	16.6
524.24371	1.8
545.04364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.2
57.03321	2.7
58.99472	1.8
59.01267	33.9
61.98717	5.2
64.44589	1.0
69.03318	2.0
69.68415	1.7
69.68818	4.5
71.01270	47.8
72.99200	2.4
73.02448	1.1
73.02838	16.3
74.84277	0.9
75.00750	1.9
78.95766	1.2
83.01294	5.6
85.02850	19.1
87.00773	3.7
88.98689	3.0
89.02337	25.0
93.03355	6.9
94.03705	1.0
95.01289	4.0
95.04922	1.1
96.95898	1.9
97.02843	2.6
99.00770	16.0
99.04395	2.1
101.01701	1.7
101.02348	32.6
102.02698	0.9
102.98509	15.2
109.02862	3.1
111.00842	1.6
111.04414	1.6
113.02354	17.0
115.03923	1.5
117.03356	1.0
119.03461	1.9
119.04958	5.8
123.04466	1.4
125.02341	4.0
131.03465	4.1
132.02037	0.9
133.02876	6.1
134.03705	6.2
135.04459	11.2
136.04797	1.1
137.02348	3.7
139.03944	2.2
143.03397	2.5
149.04498	6.9
153.01883	1.1
155.10832	0.9
159.02916	2.8
159.04303	1.2
160.01563	1.2
161.02422	16.8
161.04482	13.7
162.02792	1.4
162.04843	1.0
163.00642	1.4
163.03943	3.8
173.04498	6.0
175.03951	1.8
177.01860	1.7
179.03464	6.4
191.05597	19.0
192.05901	2.1
193.05000	3.1
197.95944	0.9
199.09740	1.0
209.11827	1.2
226.06297	2.7
229.01370	1.7
233.06723	1.6
238.06239	0.9
241.08748	3.7
251.07083	1.0
265.05139	1.2
267.06732	1.4
268.31784	0.9
295.06229	1.4
311.29599	0.8
313.10947	2.6
321.04379	1.1
331.17621	15.0
339.04968	1.2
353.08728	3.7
357.09930	2.3
406.70978	0.8
433.09348	1.0
463.21973	100.0
464.22198	14.6
475.73547	0.9
523.23981	31.0
524.24469	5.0
535.22290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28692	1.2
56.99112	1.2
57.03335	3.2
57.57011	1.0
59.01267	43.2
60.76088	1.3
61.98717	1.8
65.13483	1.1
69.53444	9.0
71.01273	40.4
72.99193	2.1
73.02841	14.1
75.00770	1.3
83.01276	3.3
85.02853	12.8
86.00885	1.2
87.00767	3.7
88.98695	7.3
89.02341	44.3
93.03351	2.4
95.01331	2.8
96.95921	3.2
97.02876	2.2
99.00781	17.4
99.38566	1.1
101.02355	31.7
108.02007	1.2
109.02895	2.5
111.04469	1.3
113.02364	15.9
115.03896	1.8
119.03412	4.8
123.00783	1.4
125.02362	4.4
131.03447	10.0
133.02859	1.8
135.04436	2.8
137.90826	1.2
143.03424	1.8
149.04512	26.4
151.00383	1.6
152.01149	1.8
153.01891	1.9
161.02351	7.0
161.04497	9.0
163.04063	1.2
173.04512	2.7
179.03381	2.4
179.05602	1.5
191.05592	15.5
192.05998	1.1
193.01323	1.6
194.00963	7.8
195.06607	1.7
204.73840	1.3
208.02490	1.4
221.06636	2.8
251.07704	3.5
271.02551	1.7
293.08994	1.4
321.03964	1.3
331.17731	6.7
390.53674	1.3
463.21976	100.0
464.22220	12.6
523.08459	1.5
523.22961	1.6
524.10620	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	523.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.1
57.03334	5.0
59.01267	48.6
61.98715	6.4
65.42074	1.4
67.01788	1.6
71.01274	45.0
71.01671	2.3
72.01687	1.4
72.99203	5.5
73.02845	10.6
75.00771	30.7
78.95844	1.5
83.01276	4.6
85.02849	38.9
87.00772	9.3
88.98686	1.6
89.02341	24.8
92.18989	1.3
93.03380	5.7
95.01288	5.1
96.95901	2.4
99.00797	19.2
100.05975	1.3
101.02346	17.3
113.02361	30.8
115.00286	2.0
117.01829	2.4
119.03426	2.3
119.04945	2.3
125.02348	2.1
131.03444	3.8
135.04433	2.4
137.02475	1.4
149.04501	6.6
153.91275	1.4
155.10699	6.9
161.04460	3.5
161.66173	1.3
163.03973	1.7
173.04520	4.5
173.11755	2.3
175.02390	1.9
191.05598	14.9
191.07169	2.2
199.09743	9.5
211.13530	1.7
224.74161	1.7
327.08908	2.5
331.17331	1.9
343.12030	1.5
361.16339	2.8
375.16656	2.5
391.19940	2.4
463.21924	24.7
464.22195	1.6
479.17822	100.0
480.18188	12.4
523.24072	31.2
524.24622	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	521.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34938	0.2
53.14375	0.2
54.89454	0.2
55.01775	2.4
57.03338	3.5
58.00484	1.6
59.01267	33.1
60.01606	0.6
61.98716	0.6
68.99719	0.3
69.03351	0.6
71.01272	36.6
71.04922	0.3
71.17289	0.5
72.01624	0.8
72.99200	2.4
73.02837	8.7
75.00773	1.5
75.73905	0.2
76.23682	0.2
78.95818	0.3
80.11919	0.2
81.03407	0.3
81.83455	0.2
83.01274	4.4
83.04929	0.4
85.02844	15.3
85.99969	0.3
86.03219	0.4
87.00771	3.0
87.04411	0.5
88.98730	0.3
89.02340	17.5
90.02669	0.3
93.03365	2.1
95.01298	3.2
97.02856	0.8
97.06506	0.4
99.00788	4.3
99.04427	0.4
101.02350	23.6
102.02686	0.7
108.02114	0.3
109.02850	0.5
111.00789	1.9
111.04424	0.5
111.08054	0.3
113.02356	13.6
113.09646	0.3
114.02671	0.5
119.03429	6.4
119.04835	1.1
121.10154	0.8
123.08081	0.3
124.62425	0.2
125.02372	0.9
127.11198	0.4
129.01849	0.9
131.03455	0.9
133.02901	1.1
135.04443	0.6
137.02403	1.0
137.09656	0.8
138.59218	0.2
143.03455	1.4
145.02890	0.6
147.04451	0.2
149.04488	1.1
153.01909	0.5
153.12744	0.6
155.03442	0.3
155.10710	1.5
157.12291	0.9
159.02922	1.9
161.02449	0.5
161.04497	5.3
163.03938	1.4
167.10703	1.1
171.13885	0.4
173.04518	6.0
173.06000	0.3
175.03865	0.3
177.01921	1.7
179.03648	0.4
179.05577	2.4
181.12265	0.3
182.45764	0.3
183.13849	0.3
186.12592	0.3
191.05569	3.8
193.04924	0.4
201.14955	4.1
227.16492	0.3
230.15224	1.1
231.15930	0.3
251.20044	0.3
263.53452	0.2
275.28152	0.3
337.09430	1.4
341.26907	0.3
347.18658	0.6
357.26651	0.6
358.26755	0.3
359.28104	22.9
360.28461	1.9
389.21997	1.2
392.20718	0.3
483.12891	0.3
521.33392	100.0
522.27106	0.6
522.33795	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	521.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78034	0.2
52.92098	0.2
55.01774	2.0
57.03340	3.2
58.00492	1.5
59.01266	37.8
60.01608	0.6
61.01699	0.3
61.98707	0.3
66.66577	0.2
69.03344	0.8
71.01271	35.4
71.57344	0.4
71.57729	0.3
72.01595	0.4
72.99197	3.0
73.02838	6.9
75.00753	1.4
78.95813	0.3
81.03337	0.3
83.01283	4.1
84.02042	0.3
85.02844	14.4
86.00005	0.4
86.03182	0.4
87.00777	2.4
89.02340	15.5
90.02663	0.3
93.03378	0.7
95.01289	3.3
97.02853	0.6
97.06474	0.6
99.00777	3.2
99.04478	0.3
101.02348	21.0
102.02676	0.6
109.02871	0.7
111.00791	1.6
111.04480	0.3
113.02361	13.7
113.09637	0.3
114.02724	0.4
119.03424	5.7
119.04946	0.7
123.08086	0.9
125.02388	0.7
127.11230	0.6
129.01846	0.7
131.03413	0.6
133.02795	0.3
134.03661	0.4
135.04474	0.5
137.09676	0.9
139.00247	0.3
141.09149	0.4
143.03441	0.7
145.02905	0.7
149.04517	0.4
149.67477	0.2
152.07127	0.5
153.01895	0.5
153.12784	0.3
155.10765	1.1
157.12317	0.6
159.02975	1.4
161.02440	0.5
161.04507	4.7
163.03966	0.7
169.12329	0.3
171.13835	0.7
173.04530	1.2
174.93895	0.2
179.05614	1.1
183.13911	0.3
187.13409	1.1
191.05598	2.3
193.05096	0.4
200.14037	0.3
201.14963	1.9
202.15411	0.3
209.15572	0.3
211.13391	0.8
214.15529	0.2
230.15280	0.8
235.84453	0.3
249.06305	0.3
257.17545	0.6
281.09396	0.7
293.09058	0.3
337.09268	0.4
341.27100	0.4
359.28110	18.7
360.28531	2.5
362.19531	0.4
401.24200	0.4
446.17297	0.8
521.23615	4.4
521.33417	100.0
522.24164	0.9
522.33765	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	521.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.1
57.03340	2.6
58.00483	1.7
59.01266	32.0
60.01613	0.3
61.98724	6.1
63.51936	0.2
67.01781	0.4
67.87571	0.2
68.99721	0.3
69.03358	0.6
71.01272	32.6
71.04907	0.4
71.57571	0.3
72.01620	0.5
72.99195	1.7
73.02836	7.5
75.00755	0.7
78.95781	0.3
82.80161	0.3
83.01279	4.4
84.02126	0.3
85.02844	14.3
86.00009	0.5
86.03207	0.4
87.00779	2.1
87.04414	0.4
89.02341	13.2
90.02674	0.4
93.03342	1.3
95.01285	2.6
96.95943	0.3
97.02869	0.9
97.06514	0.2
99.00776	3.0
101.02351	20.5
102.02695	0.4
102.71591	0.2
103.91643	0.2
109.02870	0.2
111.00775	2.2
111.04400	0.3
113.02361	12.4
114.02705	0.4
116.49028	0.2
116.92792	0.3
119.03435	5.3
119.04961	0.8
121.10162	1.9
123.08113	0.5
125.02351	0.5
125.09701	0.3
127.11221	0.8
127.92282	0.2
127.93420	0.2
128.94234	0.2
129.01869	0.6
131.03442	0.5
134.03699	0.5
135.04437	0.3
137.02376	0.4
139.11261	0.3
141.09134	0.3
143.03432	0.9
143.10703	0.3
144.86584	0.2
145.02956	0.4
149.04565	0.4
149.06067	0.3
153.01808	0.3
155.10719	0.7
157.12230	0.5
159.02963	1.6
161.02448	0.5
161.04514	4.8
163.03972	0.7
169.12372	0.4
171.06551	0.2
171.13876	1.2
173.04527	0.9
173.11839	0.3
179.05597	1.3
183.13916	0.8
187.13301	0.6
191.05597	3.0
193.05092	0.5
201.14967	8.0
202.15297	0.6
227.12866	0.7
277.21866	0.3
299.26086	0.5
329.26950	0.4
341.27728	0.2
359.28104	16.5
360.28558	2.0
363.20248	1.8
373.22345	0.4
415.23724	0.6
429.39575	0.3
472.73669	0.2
491.32385	0.7
503.32397	0.9
519.31897	0.6
521.33429	100.0
522.33759	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	521.2769
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
54.25733	0.1
55.01784	0.8
57.03335	0.9
58.00471	0.2
59.01268	100.0
60.01605	1.1
60.33741	0.1
61.98740	0.2
67.01794	0.2
68.99696	0.2
69.03345	1.1
71.01273	9.4
71.04939	0.3
71.58223	0.3
72.99220	0.7
73.02844	2.0
75.00758	0.3
78.95782	0.2
83.01283	4.5
84.02107	0.2
85.02847	7.8
86.00007	0.4
86.03192	0.2
87.00771	0.9
89.02335	1.0
93.03374	0.2
95.01287	1.4
97.02859	10.4
97.70017	0.1
98.03214	0.2
99.00783	1.4
101.02351	5.5
101.03004	0.3
102.02703	0.2
109.02860	0.3
111.00830	0.4
112.01601	0.6
113.02361	6.7
119.03391	0.2
125.02417	0.4
129.01849	0.2
131.26328	0.1
135.04483	0.2
140.19780	0.1
142.02719	0.5
143.03450	1.5
155.37718	0.1
155.73250	0.1
159.03003	0.4
161.02455	0.3
161.04506	1.5
173.84772	0.1
187.02612	0.2
191.05699	0.2
211.13419	0.2
242.16129	0.1
273.22397	0.4
275.15121	0.2
299.20667	0.2
317.21283	2.3
317.24374	0.2
318.21634	0.3
335.22305	0.2
353.38022	0.1
369.24606	0.4
413.23633	0.3
417.26593	0.9
418.27066	0.2
430.78940	0.1
435.27725	0.8
461.25589	8.7
462.25970	1.4
479.26596	6.0
479.33420	0.3
480.26981	0.9
521.27808	2.9
521.34607	0.2
522.28375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.9
57.03336	1.2
58.00489	0.4
59.01264	100.0
60.01604	1.2
65.32114	0.1
67.01771	0.1
68.99699	0.1
69.03333	0.6
69.29126	0.6
71.01270	14.7
72.01612	0.2
72.99200	0.7
73.02835	4.1
74.03136	0.1
75.00752	0.2
78.27395	0.1
81.03365	0.2
83.01276	2.2
83.04947	0.1
84.02066	0.1
85.02843	8.0
85.99980	0.2
86.03203	0.1
87.00777	0.9
89.02338	2.4
90.02704	0.1
95.01289	1.7
97.02856	1.0
98.20663	0.1
99.00784	1.7
100.80633	0.1
101.02346	8.2
102.02666	0.2
109.02842	0.4
111.00776	0.1
111.04449	0.1
112.01585	0.5
113.02357	8.2
114.02699	0.2
115.03899	0.1
119.03418	0.7
125.02374	0.6
129.01854	0.2
131.03427	0.1
139.00279	0.1
142.02702	0.1
143.03435	0.8
149.04533	0.1
149.09668	0.1
158.57399	0.1
159.02951	0.7
161.04501	3.4
162.04842	0.1
163.11250	0.2
165.12781	0.2
179.05597	0.1
191.05553	0.1
202.56161	0.1
203.05667	0.1
205.03568	0.1
272.21057	0.1
273.22275	0.8
274.22513	0.1
295.20728	0.1
299.20212	0.8
300.20596	0.1
317.21274	9.4
318.21646	1.2
329.21268	0.1
371.22360	0.1
387.21799	0.1
401.23233	0.1
413.23502	0.5
425.96243	0.1
431.24426	0.2
461.25552	22.8
462.25903	3.6
462.32608	0.1
479.26590	15.9
480.26938	2.6
480.33862	0.1
521.27478	2.3
521.33667	0.2
522.27808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	3.9
59.01266	100.0
60.01591	0.9
61.98719	11.9
69.03367	0.9
69.50857	6.1
71.01272	12.0
72.99232	0.8
73.02836	4.4
73.47748	0.7
76.89143	0.7
83.01288	3.1
85.02844	8.2
85.06509	0.9
86.03162	0.7
86.53130	0.7
87.00788	1.2
89.02331	4.0
90.42232	0.7
93.03323	1.0
95.01307	1.1
99.00792	1.5
99.04433	2.6
101.02352	7.1
103.42799	0.6
111.04420	1.2
113.02360	7.0
117.03387	0.7
119.03436	1.2
119.04967	0.8
125.02402	2.0
125.41372	0.8
145.02892	1.8
151.07593	2.4
155.03427	0.7
159.02936	0.9
161.04494	2.7
163.03955	1.2
167.07603	0.6
173.04445	1.2
191.05614	3.6
195.06609	9.8
200.83540	0.8
215.07109	0.9
240.28908	0.7
240.57571	0.7
317.21158	5.1
435.27579	0.7
459.22723	1.0
461.25439	16.1
462.25827	2.1
479.26645	9.4
480.27261	1.6
521.27582	22.5
521.33813	1.4
522.27869	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	521.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76950	0.2
55.01785	0.2
57.03332	0.6
57.81895	0.1
59.01268	100.0
60.01600	1.1
71.01275	5.4
71.01668	0.3
71.46052	0.4
72.01598	0.2
72.99239	0.2
73.02846	1.0
75.88708	0.2
83.01302	0.7
83.67455	0.1
85.02844	4.1
87.00800	0.4
89.02357	0.6
95.01295	1.3
97.02873	0.5
99.00808	0.5
101.02351	2.0
109.02843	0.3
112.01585	0.9
113.02362	5.5
125.02399	0.3
149.48550	0.2
161.04507	0.9
173.06137	0.2
191.05675	0.3
261.45352	0.2
273.22354	0.4
299.20395	0.4
317.21304	4.0
317.24875	0.2
318.21823	0.5
413.23618	0.5
431.24530	0.3
461.25565	18.7
462.25916	3.0
479.26566	3.1
480.27200	0.4
521.27539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2769
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
55.01770	0.8
57.03338	1.2
58.00486	0.3
59.01265	100.0
60.01600	1.0
61.98721	0.1
68.99695	0.2
69.03343	0.6
69.37186	0.9
71.01272	15.6
72.01617	0.1
72.78389	0.1
72.99190	0.6
73.02836	4.6
75.00771	0.2
81.03342	0.2
83.01279	2.3
84.02100	0.2
85.02844	9.0
85.99996	0.4
86.03203	0.3
87.00771	0.9
88.40923	0.1
89.02339	2.9
94.10213	0.1
95.01289	1.5
97.02852	1.0
98.20560	0.2
99.00777	1.7
101.02348	8.0
102.02691	0.2
108.02179	0.1
109.02888	0.4
109.06431	0.1
111.00810	0.2
111.04393	0.2
112.01562	0.6
113.02358	8.2
114.02698	0.3
115.03924	0.1
117.03405	0.1
119.03416	0.8
125.02377	0.6
129.01875	0.3
129.26608	0.1
131.03432	0.1
133.02882	0.2
143.03404	0.7
145.02904	0.1
149.09665	0.2
159.02965	0.7
161.02495	0.7
161.04498	3.4
162.04855	0.1
163.07574	0.1
163.11263	0.3
165.12827	0.4
173.04599	0.1
179.05580	0.1
191.05591	0.2
203.05617	0.1
205.03471	0.1
243.06674	0.1
273.22348	0.8
299.20251	0.7
300.20844	0.1
315.19870	0.1
317.21280	8.7
318.21585	1.0
329.21268	0.2
387.22189	0.1
401.23477	0.1
404.55283	0.1
413.23483	0.4
431.24524	0.2
461.25558	21.1
462.25961	3.6
462.32587	0.2
479.26599	15.7
480.26907	2.7
521.27838	2.2
521.34930	0.2
522.28229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2767
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
55.01770	0.6
55.62930	0.2
56.52730	0.2
57.03346	0.6
58.00494	0.2
59.01265	100.0
60.01605	0.8
61.34730	0.2
61.98714	0.7
68.00227	0.2
69.03336	0.4
69.75739	0.2
70.95960	0.5
71.01270	9.9
72.99208	0.4
73.02834	2.4
74.19764	0.2
75.00761	0.2
78.95840	0.2
81.03352	0.2
83.01286	1.5
83.04893	0.4
85.02838	4.6
87.00780	0.7
89.02350	2.5
93.03347	0.5
95.01299	0.8
97.02906	0.3
99.00787	1.0
99.04426	0.2
101.02347	5.2
102.05504	0.2
109.02876	0.2
109.06553	0.2
113.02363	6.0
115.03919	0.3
119.03371	1.0
121.36987	0.2
125.02366	0.6
128.03496	0.3
131.03439	0.4
133.02893	0.5
135.04482	0.8
137.02347	0.2
142.47684	0.2
143.03467	0.6
145.02831	0.3
146.03273	0.2
159.03014	0.4
159.04387	0.3
161.02426	1.6
161.04509	2.8
163.03995	0.5
173.04492	0.3
175.07648	0.2
179.03444	0.5
179.05615	0.5
191.05586	2.6
195.06641	0.8
215.19492	0.2
232.14624	0.2
234.02440	0.2
253.18280	0.3
273.22360	0.7
299.20273	0.9
317.21246	3.3
318.21609	0.5
321.48401	0.2
329.14102	0.9
335.22543	0.2
413.23557	0.3
461.25583	6.6
461.31006	0.4
462.25760	1.1
479.26639	7.8
480.27023	1.2
510.56116	0.2
521.27466	3.1
521.33539	0.3
522.28094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08937	0.5
55.01769	1.4
57.03342	1.4
57.25972	0.4
58.00493	2.2
59.01265	100.0
60.01604	2.3
61.01686	0.8
61.98715	1.4
67.01776	0.6
69.03347	1.0
69.62571	1.8
69.62995	2.2
71.01272	34.7
72.01625	1.0
72.99199	6.8
73.02835	15.7
75.00764	1.1
81.03349	0.7
83.01276	5.6
83.04920	0.7
85.02847	13.8
85.16352	0.5
86.00015	0.7
86.03239	0.5
87.00761	5.8
87.04415	1.4
89.02340	33.7
93.03364	6.2
95.01306	1.5
97.02863	1.5
98.02357	0.5
99.00791	1.6
99.04430	0.9
101.02345	39.3
103.03917	9.9
111.00755	0.8
111.04430	1.5
113.02357	12.4
115.03918	3.3
117.03362	1.1
119.03412	12.3
119.04947	0.8
121.02921	1.5
125.02373	3.3
127.03934	2.1
131.03435	5.8
132.02150	0.6
133.02875	9.2
134.03693	7.4
135.04465	10.0
137.02359	3.2
143.03439	8.2
145.02911	1.3
145.05013	3.4
147.08078	0.8
149.04536	1.5
149.06041	1.3
155.03517	1.7
156.03194	1.0
160.01640	1.6
161.02403	19.4
161.04445	4.6
162.02765	1.4
163.04001	1.0
163.06068	35.2
164.06403	1.3
166.40047	0.5
173.04524	6.7
174.04901	0.6
175.03970	1.7
176.04031	1.2
177.01912	2.3
178.02687	0.9
179.03464	6.5
179.05609	4.6
180.03841	0.6
191.05585	23.1
192.05817	1.1
193.05003	5.9
194.05486	0.6
205.07167	13.0
205.09035	0.7
229.07220	0.8
243.05991	1.4
256.04816	0.6
265.05420	1.2
265.09311	3.6
271.02368	0.6
272.06339	1.0
284.48889	0.5
311.05774	0.5
315.18158	9.2
316.18445	1.0
317.27036	0.9
331.08224	0.5
335.07843	0.7
339.05078	4.6
351.07123	0.9
352.08096	2.7
352.58255	0.7
353.08838	2.5
367.10535	1.7
399.23740	0.5
401.24911	0.8
419.25790	1.1
437.02008	0.5
461.24115	63.7
461.31067	7.4
462.24411	8.9
462.31042	0.7
479.23755	0.5
479.32346	1.8
495.09506	1.9
513.10339	3.8
514.10547	1.0
521.23236	2.1
521.33014	1.9
527.11780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20763	0.7
59.01254	5.6
60.99192	14.3
61.98738	0.8
68.34389	0.7
71.57590	1.5
71.86677	0.7
72.99178	1.0
75.22577	0.7
78.95795	5.1
79.03699	0.7
87.00777	1.4
88.00315	2.8
88.98701	100.0
89.02337	20.9
89.99037	1.5
97.26691	0.8
99.04428	1.6
133.02890	1.3
152.99466	4.8
154.99942	2.7
161.02336	1.3
169.05043	0.8
222.66150	0.8
228.45398	0.8
316.66687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2535
Annotation	Okaramine N
Peak:m/z	Relative Intensity
53.68910	0.2
57.03335	3.8
57.03600	0.3
59.01264	5.9
59.01535	0.4
61.98734	0.7
71.01272	0.4
71.57611	0.4
75.06590	0.2
78.95793	8.7
83.04916	0.3
84.04041	0.3
85.02847	0.3
85.06499	0.2
87.00765	2.5
88.00302	0.6
93.03431	0.4
96.96889	0.8
97.06506	0.8
99.04474	0.4
109.06554	1.0
113.09635	19.7
114.10020	1.0
114.27918	0.2
121.10185	0.4
125.09711	0.3
133.02885	1.7
134.03679	0.7
135.04433	3.1
135.11700	0.3
137.02403	0.5
139.11206	2.1
141.09152	0.4
149.09682	0.8
152.99521	13.5
161.02385	5.2
162.02750	0.6
163.11295	0.3
165.12798	0.3
167.10739	3.3
171.00603	1.8
171.10248	1.6
177.12784	1.2
179.03452	1.2
179.10728	2.5
191.05608	0.9
195.13866	3.3
205.15976	0.2
227.03336	1.5
245.04297	2.6
249.22313	2.7
250.22551	0.6
273.22357	1.0
275.20230	2.1
285.20856	0.4
293.21292	100.0
294.21606	11.3
308.75592	0.3
317.21323	1.5
388.80084	0.3
429.23059	1.7
430.22900	0.4
447.24057	0.6
521.25317	45.6
522.25708	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	521.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03324	1.4
59.01267	17.1
62.47169	0.6
69.03340	1.0
70.84058	1.1
71.01269	28.2
72.99198	1.3
73.02837	9.1
75.00763	2.1
81.03359	1.2
83.01273	3.5
85.02840	11.0
85.06456	0.7
87.00751	1.4
88.50834	0.6
89.02334	15.0
90.93054	0.5
93.03352	1.8
95.01275	1.5
96.95910	2.1
97.02843	1.8
99.00779	7.4
101.02343	16.3
102.02667	0.6
111.00801	0.9
111.04490	0.6
113.02365	10.4
113.03109	0.4
115.03918	2.1
119.03419	1.4
123.04539	0.7
125.02374	6.2
129.01836	1.1
131.03470	3.0
135.04445	2.0
137.02364	1.1
143.03406	1.6
149.04472	5.9
149.09665	1.1
159.02945	1.6
161.02437	3.6
161.04488	9.3
165.01854	0.8
173.04512	2.6
179.03423	1.3
179.05630	0.6
189.01923	1.3
191.05582	8.1
233.06615	3.6
267.07181	1.0
293.08807	7.4
313.06976	0.6
329.16165	4.3
353.08731	0.8
356.97900	0.6
399.11798	0.9
461.20392	100.0
462.20786	13.2
521.22205	6.6
522.23041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03356	1.1
58.00480	2.4
59.01267	100.0
61.98710	3.7
69.03346	3.5
71.01271	60.9
72.99202	15.8
73.02837	11.9
74.09893	1.0
75.00743	2.0
78.14031	1.1
78.15566	1.3
78.95796	1.2
81.03342	2.7
83.01292	3.3
85.02845	17.1
87.00776	5.4
89.02341	75.1
91.51370	1.0
93.03354	6.4
95.01302	2.5
96.95914	4.0
97.02837	6.2
98.19848	2.9
99.00777	17.9
99.04416	3.9
101.02348	34.3
103.03919	2.1
107.04943	1.7
108.08508	1.1
109.02893	1.6
111.00790	1.9
111.04446	2.5
113.02353	11.0
115.03934	3.6
117.03413	9.8
118.03701	4.1
119.03422	2.5
119.04941	4.5
120.05313	1.9
123.04449	1.4
125.02380	26.0
127.03973	1.3
131.03432	13.6
133.02873	1.8
134.03648	3.4
135.04424	2.0
137.02426	2.0
143.03435	3.9
143.04961	1.4
145.02901	35.6
146.03229	16.5
147.03452	5.1
147.08301	1.2
149.04509	45.2
153.05452	1.1
159.04509	1.4
161.02382	3.2
161.04498	4.3
163.03963	5.8
163.06065	4.5
167.10736	16.5
173.04460	4.6
175.03958	1.1
177.09189	1.2
179.03366	2.4
187.03967	2.0
191.05579	25.7
191.10628	1.3
192.05888	1.6
193.04887	1.9
195.06589	5.5
203.07106	1.7
205.06866	1.1
209.11830	3.6
221.06487	2.6
222.18364	1.1
229.05023	1.6
233.06721	13.6
251.07713	2.0
255.02881	1.2
275.07693	1.5
284.03116	1.5
285.04013	1.8
293.08878	45.3
294.09180	2.1
299.09296	3.0
311.09790	5.9
341.10364	16.6
342.10669	2.1
344.20712	1.2
359.28043	2.3
363.07956	1.7
461.24533	1.2
461.31174	4.3
479.32419	1.5
520.23181	2.7
521.16718	1.7
521.23047	24.8
521.33490	6.1
522.23126	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	521.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.4
58.00479	3.6
59.01266	90.9
61.98714	1.2
69.03337	3.1
69.64254	7.3
71.01272	69.9
72.99215	5.7
73.02836	18.5
75.00777	3.5
77.46636	1.1
78.56129	1.0
78.95818	1.1
81.03371	1.4
83.01291	2.7
83.04923	1.3
85.02850	12.8
87.00806	4.2
89.02341	100.0
90.02679	2.0
93.03362	15.0
95.01298	2.3
97.02861	3.3
98.19801	2.1
99.00781	37.5
99.04444	1.6
101.02351	44.9
101.03016	2.3
102.02686	1.2
102.98503	5.9
108.02126	1.3
108.81499	1.1
109.02865	1.9
111.00754	1.2
111.04414	1.2
113.02358	12.7
115.00330	1.2
115.03951	1.2
117.55192	1.0
119.03455	5.2
119.04946	2.3
123.04497	1.2
125.02380	8.0
126.56647	1.0
127.03997	1.5
131.03430	16.3
133.02905	2.4
134.03680	2.6
134.97429	1.0
135.04462	2.3
137.02397	8.0
143.03432	3.1
146.03737	1.1
147.04480	1.7
149.04514	70.4
149.09665	2.1
150.04921	1.6
161.02426	2.1
161.04581	5.7
161.05801	1.1
163.03963	3.1
173.04520	4.8
175.04025	1.3
177.05527	1.4
178.02689	1.1
179.03432	1.3
179.05591	1.7
190.93394	1.3
191.03795	1.8
191.05594	37.6
192.06007	3.5
193.04955	1.4
207.50398	1.1
221.06627	5.6
233.06647	1.5
251.07701	8.7
252.08102	1.1
253.08873	1.2
275.07870	1.1
293.08875	6.5
295.13452	3.0
311.09952	2.7
341.19458	1.3
357.09976	1.4
389.22015	2.2
393.52002	1.0
420.43811	1.4
446.62167	1.2
461.20380	31.6
462.20816	4.8
521.14844	2.2
521.25885	21.8
522.26672	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	521.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.3
57.03329	1.6
58.00484	4.5
59.01265	100.0
60.01603	1.1
66.89796	0.3
70.47968	0.3
71.01270	80.7
72.01600	1.2
72.99197	7.1
73.02838	1.8
75.00767	0.7
78.95792	5.7
82.64030	0.4
83.01272	2.8
85.02345	0.7
85.02847	12.1
85.03360	0.7
87.00780	5.7
89.02338	97.8
90.02680	2.0
93.03355	3.6
95.01286	4.5
96.00803	0.3
96.96873	4.9
97.02819	0.5
98.20573	0.8
99.00770	1.0
101.02348	48.6
102.02676	1.2
102.98499	1.5
108.02076	2.3
109.02896	2.6
111.00803	0.4
111.04411	0.7
113.02357	30.5
114.02697	0.8
115.03909	0.5
119.03422	42.8
119.04828	1.3
120.03767	1.2
121.02852	2.6
122.03636	1.3
123.04438	2.0
125.02351	1.3
131.03421	5.2
133.02856	0.7
134.03654	0.7
135.04388	1.0
136.01523	0.5
136.05186	0.4
136.29723	0.4
137.02365	1.4
143.03435	10.2
143.04634	0.5
143.05055	0.5
147.04398	0.7
148.03935	0.5
148.05112	0.4
149.02310	0.6
149.04504	4.1
149.05742	0.5
150.04813	0.5
151.03914	0.6
152.01082	0.4
153.10350	0.4
158.03680	0.5
158.30580	0.4
158.31885	0.4
159.04469	4.0
160.01570	0.5
160.05252	8.1
161.02322	0.9
161.04471	8.3
161.05936	1.8
161.97987	0.4
163.03906	1.0
164.04709	0.5
166.05026	0.6
171.04427	0.6
172.05237	4.2
173.04485	1.5
173.05995	3.8
174.03165	0.4
174.06601	1.0
175.03928	1.2
175.07578	3.2
177.01762	0.4
177.05464	0.6
179.05573	23.4
180.05904	0.9
187.03951	0.4
187.07545	2.0
188.04689	0.4
189.05539	8.7
189.09076	0.7
190.06314	9.8
191.05542	4.3
191.06932	0.5
192.05898	0.7
203.07098	0.8
204.07878	0.6
205.04916	0.6
205.06927	0.6
205.08687	7.0
206.08846	0.6
207.04312	0.5
230.32854	0.4
233.09567	2.4
249.08871	0.8
253.08711	0.5
263.07071	0.5
265.08588	1.1
267.07205	0.7
279.10284	0.4
280.07571	0.4
280.10803	0.6
281.08328	2.1
283.09348	0.4
293.08261	0.6
295.09729	1.2
295.13416	1.0
296.10553	3.9
297.10843	0.8
308.10657	0.8
310.08316	0.4
311.09442	0.6
311.12939	5.2
312.13217	0.6
323.12607	0.5
326.11432	1.2
329.14059	2.1
341.14017	31.4
342.14383	3.8
345.10950	0.6
389.17542	0.8
461.20105	0.8
504.13416	0.4
521.20563	8.9
521.27283	0.8
522.20270	1.5
535.20563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.9
60.87599	0.3
61.98703	0.7
71.57766	0.6
75.18336	0.4
78.95794	63.5
80.90939	0.3
84.44874	0.3
96.96858	5.5
144.86377	0.4
150.97957	1.8
152.99524	100.0
153.99852	1.9
158.22208	0.3
171.00577	2.6
201.76239	0.3
279.23383	2.4
280.23761	0.4
325.67081	0.3
344.02460	0.3
393.97348	0.4
433.23666	47.1
434.24051	7.9
520.26929	8.7
521.27356	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96280	0.2
69.05679	0.1
69.64624	0.7
76.94564	0.1
78.75880	0.1
78.95798	43.6
83.77709	0.1
94.29054	0.1
96.96868	6.0
150.97964	1.9
152.99532	100.0
153.99879	1.8
155.43405	0.1
163.73508	0.1
169.37773	0.1
171.00615	3.9
171.02078	0.2
177.51596	0.1
279.23355	1.2
306.86969	0.1
433.23700	25.3
434.24063	3.8
520.26971	6.7
521.27271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	0.1
55.01775	0.2
57.03330	0.2
59.01262	2.1
61.98713	0.4
67.01753	0.2
67.14783	0.1
69.33037	0.4
69.33455	1.1
71.01272	2.3
71.04926	0.2
72.99199	0.3
73.02821	0.8
75.00780	0.1
83.01266	0.4
85.02847	1.5
87.00782	0.3
88.98673	0.2
89.02332	0.4
93.03358	31.9
94.03688	1.0
95.01280	0.3
96.95887	0.2
97.02851	0.2
99.00764	0.5
101.02341	1.6
108.02081	0.2
109.02872	0.3
109.91829	0.1
111.04465	0.2
113.02337	1.0
116.16331	0.1
119.03475	0.2
121.02878	0.2
123.04408	0.2
133.02884	1.1
134.03622	0.6
135.04456	1.5
136.04868	0.1
137.02373	100.0
138.02707	3.9
139.00343	0.2
145.02907	0.2
155.03505	0.3
161.02399	2.8
161.04408	0.7
162.02724	0.2
163.03941	0.3
165.01883	0.2
173.04564	1.1
175.03900	0.2
177.01874	0.3
179.03445	1.2
191.05579	3.4
191.07327	0.2
193.05070	0.4
229.01280	0.2
265.05432	0.2
267.07059	0.2
269.10385	0.4
281.29572	0.2
317.06683	0.5
321.03986	0.2
339.05273	0.6
340.05508	0.2
347.18973	0.2
353.08795	0.5
383.13763	0.3
401.14587	0.3
475.21634	0.8
477.23694	0.3
495.09854	0.2
513.10895	0.2
521.04578	0.2
521.16608	4.2
521.28839	0.2
521.33978	0.3
522.17096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.3
61.98724	0.1
62.96285	0.2
71.30635	0.3
78.95795	45.0
82.68323	0.1
88.98709	0.2
96.96864	5.9
123.59510	0.1
125.45019	0.1
150.97957	1.4
152.99527	100.0
153.99855	1.8
171.00603	3.9
184.11224	0.1
279.23212	1.1
280.23804	0.2
338.11636	0.2
376.91885	0.2
433.23682	24.8
434.24051	3.1
484.08221	0.2
520.26917	6.3
521.27399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57627	0.2
56.26820	0.2
57.76384	0.2
59.01265	1.0
61.98710	0.2
62.23429	0.1
63.94848	0.2
78.95795	65.8
96.96862	5.7
98.20647	0.3
101.13136	0.2
138.01855	0.2
150.97958	1.7
152.99524	100.0
153.99866	1.8
171.00574	2.7
180.85561	0.2
229.63634	0.3
232.58862	0.2
279.23346	2.2
280.23557	0.3
384.49243	0.2
415.22607	0.3
433.23688	42.8
434.23947	5.3
459.23105	0.2
520.26898	7.3
520.34644	0.4
521.27148	1.2
521.34100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02866	8.6
59.01266	4.8
61.98701	0.6
66.03368	1.3
71.01270	2.3
71.09192	1.0
71.09544	0.9
72.00793	0.8
74.02364	18.4
75.00764	1.0
78.94984	0.6
78.95792	1.2
80.03699	0.9
81.04457	1.4
82.02888	1.7
84.04439	0.8
85.02863	2.1
86.02367	8.5
86.06017	1.7
87.00756	1.1
87.05524	3.7
88.03920	0.8
89.02349	0.6
93.03374	0.8
96.04459	0.9
96.96865	1.1
97.03980	2.5
99.00768	1.1
99.05544	17.6
101.02324	0.7
101.07108	3.9
102.05531	3.5
107.06053	1.1
109.04006	3.4
109.07633	0.9
111.05558	1.6
112.03966	2.0
113.02351	3.5
119.04931	1.2
123.05568	1.3
124.03996	0.8
125.03488	3.1
127.05059	3.4
128.03465	47.9
129.03798	2.1
135.05576	5.9
137.07120	1.3
141.06609	3.3
143.04561	70.3
144.04865	1.7
145.06111	2.6
146.04547	7.5
149.07112	0.7
153.06635	4.3
155.08231	1.4
161.02461	0.8
163.03955	1.3
166.09790	2.9
167.04585	2.6
167.08206	6.2
170.03349	0.8
171.03966	1.2
173.04486	0.9
179.04596	17.0
181.06183	2.3
183.13815	0.9
184.10837	1.0
185.05667	1.4
191.05586	2.1
192.07813	2.8
194.46457	0.6
195.13902	1.3
197.05682	3.5
210.08818	15.5
213.14937	4.7
228.09950	1.0
247.13728	7.8
254.07867	31.6
255.08192	1.8
267.07285	1.7
268.07703	1.4
272.08948	53.4
273.09406	3.0
299.05984	0.6
389.17990	1.2
391.19174	8.3
392.19412	0.8
446.18228	0.6
477.23096	1.1
502.22421	12.4
503.22488	1.3
520.23431	100.0
520.83069	0.6
521.23712	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	520.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07648	0.2
59.01265	17.2
60.01590	0.6
61.01646	0.2
61.98717	26.9
69.03338	0.4
69.46507	0.7
69.46917	1.2
71.01277	3.6
72.99202	0.4
73.02841	1.5
83.01277	0.7
85.02840	2.0
87.00757	0.5
89.02351	1.2
93.03353	1.0
94.12103	0.2
95.01296	0.6
97.02854	0.4
99.00793	0.5
101.02342	2.4
111.00784	0.3
111.04432	1.9
113.02352	1.9
117.03391	1.0
118.03706	0.3
119.03408	0.4
119.04945	0.5
121.02876	0.9
123.00803	0.4
124.01588	1.7
125.02380	0.4
131.03400	0.3
133.02873	1.2
134.03636	1.1
135.04469	1.7
136.54208	0.2
137.02400	0.7
139.03926	0.7
143.03418	0.3
145.02879	2.6
146.03217	0.7
151.07594	0.4
152.01088	11.2
153.01411	0.7
155.03447	0.3
159.04297	0.2
160.01587	0.3
161.02402	3.6
161.04510	0.9
163.03944	0.6
165.01883	0.9
166.02541	0.3
173.04446	1.2
175.03972	0.8
176.04761	0.2
177.01846	0.4
177.05455	0.3
178.56256	0.2
179.03476	1.2
179.05637	0.2
179.07095	0.3
181.05011	0.3
184.05165	0.3
191.05579	3.7
191.07114	0.4
193.05095	1.2
194.03981	0.3
194.05812	11.3
195.06538	2.4
209.08182	100.0
210.08514	6.6
315.18298	0.3
335.01990	0.3
339.05228	0.3
353.08530	0.3
367.10126	0.3
413.14694	0.6
459.24014	0.7
460.24249	1.3
461.24106	0.8
461.31393	0.9
477.24857	0.3
478.24826	0.9
479.32483	0.4
513.10889	0.3
520.15894	0.3
520.21906	1.1
521.22815	1.1
527.12207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78235	1.5
59.01268	22.1
60.56911	1.5
63.02270	2.2
65.00190	2.2
65.08382	1.8
65.16158	1.5
65.99734	1.7
66.77479	1.2
68.89072	1.5
68.99690	1.7
71.01267	9.2
71.15535	3.5
71.15899	2.0
72.99177	2.3
73.02823	2.0
75.00800	2.2
78.44781	1.3
79.21648	1.5
82.64359	1.8
83.01284	2.7
85.02836	4.7
85.97192	1.7
87.00747	3.5
89.02330	5.8
93.03355	7.2
95.01256	3.5
96.00822	1.6
101.02342	5.0
101.66095	1.5
107.01287	4.2
109.02862	12.2
111.00777	2.7
112.02940	1.5
113.02356	2.7
121.02865	3.7
123.00816	5.2
123.04386	1.7
124.01559	3.8
125.02347	5.4
133.02846	5.0
134.02414	3.8
135.00789	2.3
135.04451	2.7
137.02396	9.9
139.03838	2.0
145.02859	1.6
147.00784	2.2
147.04402	1.7
148.01596	13.7
149.02333	6.3
151.00284	15.7
152.01085	3.9
153.01839	1.8
161.02388	6.0
162.01909	11.0
163.00293	5.3
163.02573	2.4
163.03954	2.5
164.03453	8.8
165.01904	3.1
166.99838	2.8
169.01414	1.8
173.04535	3.6
175.00346	2.1
176.01094	3.6
177.01884	29.6
178.02350	2.3
178.99860	9.9
179.03419	2.0
183.36406	1.9
186.01917	7.1
190.01402	4.4
191.02205	4.7
191.05573	14.5
199.03940	1.7
201.01988	2.2
202.99840	6.3
203.01917	2.9
204.03009	30.3
208.00189	1.6
214.01367	2.0
216.09364	1.5
226.02606	1.9
227.03500	4.6
228.04156	1.6
229.01379	2.1
230.00963	11.1
231.03149	1.9
233.04521	2.2
242.02206	2.1
243.02983	6.2
244.03670	1.8
255.02972	6.3
256.03564	2.0
259.02460	2.1
264.02356	1.7
265.03909	1.9
267.02838	2.0
270.01694	2.0
271.02521	21.3
271.05161	2.6
272.03149	6.5
273.04291	3.5
285.04065	6.1
286.03580	2.0
287.02020	3.2
288.02695	2.0
289.03534	1.8
294.04166	4.7
295.02216	2.8
296.05795	2.1
299.02014	29.7
300.02469	9.8
301.03351	4.1
310.03668	3.6
311.07980	2.3
313.03546	10.8
314.04150	1.8
315.04199	2.7
316.02167	11.9
317.03119	20.1
318.03336	1.6
322.03665	16.0
323.04141	3.3
329.08813	2.9
337.03842	2.2
339.03897	21.5
340.00772	3.8
340.04660	42.5
341.05261	2.7
343.06686	2.6
355.07037	8.6
357.04980	10.2
358.05707	9.1
384.09479	22.1
385.09714	2.3
403.36942	1.5
410.07391	19.3
411.07709	1.9
425.77441	1.6
431.83545	1.6
435.09131	2.9
462.07483	1.7
479.08463	9.9
480.08499	2.0
502.09988	38.7
503.10190	5.4
517.11633	1.9
520.11060	100.0
521.11377	17.1
521.22406	2.6
531.66180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78235	1.5
59.01268	22.1
60.56911	1.5
63.02270	2.2
65.00190	2.2
65.08382	1.8
65.16158	1.5
65.99734	1.7
66.77479	1.2
68.89072	1.5
68.99690	1.7
71.01267	9.2
71.15535	3.5
71.15899	2.0
72.99177	2.3
73.02823	2.0
75.00800	2.2
78.44781	1.3
79.21648	1.5
82.64359	1.8
83.01284	2.7
85.02836	4.7
85.97192	1.7
87.00747	3.5
89.02330	5.8
93.03355	7.2
95.01256	3.5
96.00822	1.6
101.02342	5.0
101.66095	1.5
107.01287	4.2
109.02862	12.2
111.00777	2.7
112.02940	1.5
113.02356	2.7
121.02865	3.7
123.00816	5.2
123.04386	1.7
124.01559	3.8
125.02347	5.4
133.02846	5.0
134.02414	3.8
135.00789	2.3
135.04451	2.7
137.02396	9.9
139.03838	2.0
145.02859	1.6
147.00784	2.2
147.04402	1.7
148.01596	13.7
149.02333	6.3
151.00284	15.7
152.01085	3.9
153.01839	1.8
161.02388	6.0
162.01909	11.0
163.00293	5.3
163.02573	2.4
163.03954	2.5
164.03453	8.8
165.01904	3.1
166.99838	2.8
169.01414	1.8
173.04535	3.6
175.00346	2.1
176.01094	3.6
177.01884	29.6
178.02350	2.3
178.99860	9.9
179.03419	2.0
183.36406	1.9
186.01917	7.1
190.01402	4.4
191.02205	4.7
191.05573	14.5
199.03940	1.7
201.01988	2.2
202.99840	6.3
203.01917	2.9
204.03009	30.3
208.00189	1.6
214.01367	2.0
216.09364	1.5
226.02606	1.9
227.03500	4.6
228.04156	1.6
229.01379	2.1
230.00963	11.1
231.03149	1.9
233.04521	2.2
242.02206	2.1
243.02983	6.2
244.03670	1.8
255.02972	6.3
256.03564	2.0
259.02460	2.1
264.02356	1.7
265.03909	1.9
267.02838	2.0
270.01694	2.0
271.02521	21.3
271.05161	2.6
272.03149	6.5
273.04291	3.5
285.04065	6.1
286.03580	2.0
287.02020	3.2
288.02695	2.0
289.03534	1.8
294.04166	4.7
295.02216	2.8
296.05795	2.1
299.02014	29.7
300.02469	9.8
301.03351	4.1
310.03668	3.6
311.07980	2.3
313.03546	10.8
314.04150	1.8
315.04199	2.7
316.02167	11.9
317.03119	20.1
318.03336	1.6
322.03665	16.0
323.04141	3.3
329.08813	2.9
337.03842	2.2
339.03897	21.5
340.00772	3.8
340.04660	42.5
341.05261	2.7
343.06686	2.6
355.07037	8.6
357.04980	10.2
358.05707	9.1
384.09479	22.1
385.09714	2.3
403.36942	1.5
410.07391	19.3
411.07709	1.9
425.77441	1.6
431.83545	1.6
435.09131	2.9
462.07483	1.7
479.08463	9.9
480.08499	2.0
502.09988	38.7
503.10190	5.4
517.11633	1.9
520.11060	100.0
521.11377	17.1
521.22406	2.6
531.66180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08332	0.2
54.67162	0.2
55.01777	2.0
57.03341	2.8
58.00491	1.5
59.01268	36.1
60.01603	0.7
61.75150	0.2
61.98706	0.7
67.01778	0.3
68.99712	0.3
69.03355	0.7
69.34016	1.1
69.34444	0.8
71.01273	34.5
71.04933	0.3
72.01608	0.7
72.87891	0.2
72.99200	1.9
73.02840	7.9
74.03187	0.2
75.00780	0.8
78.09492	0.2
78.34401	0.2
78.95824	0.2
79.03619	0.2
81.03327	0.2
83.01277	4.2
83.04941	0.3
85.02847	14.0
85.44267	0.2
85.99993	0.6
86.03192	0.2
87.00774	3.9
87.01265	0.2
87.04402	0.3
89.02343	13.7
93.03358	1.7
93.72995	0.2
95.01293	3.3
95.04930	0.2
96.95933	1.0
97.02864	0.7
97.06487	1.2
99.00787	3.3
101.02352	20.8
102.02698	0.5
111.00797	2.4
111.04437	0.3
111.08031	0.2
113.02361	13.3
114.02669	0.5
115.00281	0.2
117.03356	1.1
119.03429	5.5
119.04893	1.7
121.02879	0.5
121.10155	1.7
123.08006	0.3
125.02380	0.7
125.06013	0.2
125.09654	1.0
126.51740	0.2
127.11222	1.4
129.01859	1.0
131.03459	0.9
133.02849	0.3
135.04465	0.3
136.01538	0.2
137.02406	0.3
137.09650	0.8
141.01921	0.6
143.03468	1.0
143.05005	0.4
145.02899	3.4
146.03317	0.3
149.04492	0.5
149.09680	0.5
151.11259	0.5
155.10733	0.8
159.02939	2.2
161.02469	0.3
161.04517	5.0
163.03999	1.3
169.12349	0.3
171.13866	1.7
172.14328	0.3
173.04503	1.5
177.77197	0.2
179.05583	1.5
185.11836	0.9
187.03963	0.3
187.13403	0.3
191.05583	3.0
195.06599	0.3
195.08186	1.1
199.13432	0.5
200.14120	1.5
201.14961	1.2
211.07661	1.0
225.15001	0.2
227.16632	0.7
229.18057	1.5
239.08369	0.3
279.23325	0.3
297.24567	0.3
303.23486	0.4
321.24475	0.9
333.19363	0.4
339.25491	1.8
353.13736	0.2
355.36646	0.2
357.26556	18.7
358.26898	2.5
361.18823	0.6
362.19522	4.9
363.20044	0.5
364.80463	0.2
371.14941	0.2
389.22040	0.3
391.23538	0.6
394.18463	1.9
399.23953	0.8
417.25134	0.5
459.30283	0.4
483.30267	1.1
489.30630	1.1
501.30844	2.1
502.31281	0.5
517.30688	0.3
519.31885	100.0
520.13788	0.5
520.23981	0.6
520.32208	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	519.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	3.2
57.03339	4.4
58.00491	1.9
59.01266	72.1
59.22069	0.3
60.01612	1.7
61.98721	1.4
67.01785	0.5
69.03344	1.0
71.01271	52.8
71.04915	1.2
71.57664	0.6
72.01601	1.1
72.99199	3.4
73.02837	12.6
75.00774	1.6
78.95808	0.5
83.01278	6.9
83.04926	0.6
85.02843	19.1
85.99997	0.8
86.03205	0.4
87.00775	10.4
87.04452	0.4
89.02341	24.3
90.02666	0.5
93.03365	2.4
95.01286	4.4
95.04945	0.4
96.95908	0.7
97.02862	1.3
97.06503	1.4
99.00797	4.7
101.02349	35.4
102.02699	0.6
102.98515	0.8
109.06476	0.4
111.00806	2.3
111.04440	0.5
111.08096	0.7
113.02363	18.6
114.02716	0.6
116.92748	0.5
117.03374	16.1
118.03747	0.7
119.03436	10.4
119.04942	7.0
120.05278	0.5
121.02773	0.6
121.10159	3.4
123.08092	1.0
125.02361	1.6
127.11242	1.0
129.01869	2.0
131.03442	1.8
132.02034	0.5
133.02887	1.7
134.03632	1.1
135.04439	1.4
136.03990	0.7
137.02310	0.8
137.04234	0.5
137.09624	1.2
139.11256	0.6
141.01878	0.9
143.03450	2.9
143.04935	1.7
145.02890	57.0
146.03230	3.1
149.04504	1.1
155.10704	0.9
157.12320	0.6
159.02989	2.5
160.01576	0.5
161.02467	2.9
161.04507	8.3
162.04851	0.6
163.03951	8.0
164.04297	1.1
165.03983	0.6
169.12289	0.6
171.13864	1.6
173.04572	2.2
173.05942	0.5
175.03999	0.8
176.04137	0.4
177.01724	0.7
178.02777	0.4
179.03461	0.9
179.05600	4.3
181.12341	2.2
183.13873	0.6
185.11768	0.9
187.04008	3.2
191.05569	4.8
192.06004	0.6
193.05023	1.5
195.06581	0.7
199.13367	1.2
200.14143	1.1
201.14993	1.4
203.48204	0.4
211.07674	0.6
227.16579	1.0
229.18127	1.3
267.19565	0.5
277.21536	0.4
280.07401	0.4
284.03104	0.4
297.24338	1.3
309.24298	0.5
321.24426	2.0
329.17645	0.4
339.25446	2.2
341.10144	0.5
357.26520	38.2
358.26938	4.5
359.27994	0.5
371.24402	1.4
375.20218	1.1
389.21802	0.7
391.23407	0.4
399.23846	1.5
417.24921	0.7
429.28665	0.9
475.25146	1.2
477.23373	1.5
519.22540	30.0
519.31793	100.0
520.22876	7.3
520.32214	16.5
520.40198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17722	0.1
55.01769	0.5
55.02290	0.2
57.03344	0.5
58.00482	2.2
59.01263	46.5
60.01608	0.5
61.98711	0.4
63.61546	0.2
69.50069	1.3
71.01269	31.0
72.01604	0.6
72.99201	2.2
73.02837	0.7
78.95793	6.1
83.01259	0.9
85.02843	4.8
87.00769	1.7
89.02337	38.6
90.02685	0.5
95.01292	1.8
96.96864	1.0
97.02856	0.2
99.04423	0.2
101.02345	17.3
102.02676	0.5
113.02357	12.1
114.02709	0.2
119.03419	15.1
120.03753	0.3
125.02363	0.2
131.03429	1.8
132.33286	0.2
143.03445	4.0
149.04524	1.2
152.99530	14.2
161.04526	3.7
169.12296	100.0
170.12639	7.0
170.13805	0.1
171.00592	0.4
178.33607	0.2
179.05577	13.4
180.05923	0.4
187.13364	5.0
188.13712	0.4
279.23364	0.3
339.25470	0.9
349.18732	10.2
350.19046	1.3
433.23666	3.9
515.05347	0.2
519.24274	0.2
519.32330	0.5
520.26727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62751	0.2
53.15912	0.2
55.01766	0.2
57.03356	0.3
59.01263	100.0
60.01590	1.7
60.29251	0.2
61.01707	0.2
65.10835	0.2
69.03331	0.4
71.01269	4.2
71.57889	0.4
72.99213	0.2
73.02831	1.9
75.00773	0.8
78.95811	0.3
81.03359	0.2
83.01295	0.8
83.04977	0.3
85.02837	2.1
87.00786	0.7
89.02344	1.4
93.03356	1.3
95.01300	0.5
95.04957	0.3
96.95929	0.7
97.02865	0.3
99.00770	0.5
101.02354	2.9
109.02888	0.6
111.00808	0.3
111.04455	0.3
113.02362	2.4
116.92847	0.2
117.03384	0.2
119.03427	0.5
119.04957	0.5
121.02882	0.3
123.04424	0.2
125.02397	0.8
129.01886	0.3
131.03430	0.3
133.02899	0.8
135.04492	1.1
136.04820	0.5
137.02380	0.5
137.04984	0.3
143.03424	0.4
145.02933	0.6
146.03703	0.6
147.04517	0.9
149.02345	0.3
149.04614	0.2
151.00316	0.3
155.03490	0.2
159.04514	0.5
161.02417	1.1
161.04558	0.8
163.03909	0.3
165.04054	0.6
167.03535	0.6
171.87962	0.2
173.04520	0.7
173.05904	0.2
179.03439	1.2
180.03795	0.3
187.02454	0.3
187.07695	0.4
191.05577	4.6
192.05975	0.8
193.06146	0.6
194.06395	0.3
195.06699	0.4
201.04041	0.3
215.07246	0.3
229.01526	0.5
231.10283	0.2
237.07787	1.4
243.03163	0.2
255.19775	0.7
257.08182	0.3
265.05292	0.3
266.05930	0.6
267.06824	0.4
268.07172	0.3
271.02493	0.4
281.08356	0.2
283.09851	0.5
287.02036	0.4
309.07645	0.4
314.49399	0.2
315.01483	0.7
319.02487	0.2
327.08929	0.5
337.03607	0.4
339.05161	0.3
353.06516	2.3
356.09787	0.6
357.09525	0.5
371.07486	0.2
399.13019	1.6
399.23978	3.0
400.24463	0.4
417.24994	4.0
417.30188	0.3
418.25525	0.6
447.09286	0.2
459.26089	8.5
460.26300	1.2
475.21793	1.6
502.90100	0.2
519.07971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.6
57.03341	1.8
59.01266	100.0
60.01596	1.1
60.29601	0.3
61.98748	0.3
69.03362	0.7
70.67014	0.3
71.01271	12.4
72.99197	0.5
73.02840	3.9
75.03175	0.3
81.02962	0.3
81.03352	2.1
83.01279	2.9
85.02848	5.2
85.06470	0.7
86.03193	0.4
87.00777	1.1
87.04424	0.9
89.02357	3.7
89.11395	0.3
90.55851	0.3
95.01302	1.2
96.95922	0.7
97.02869	0.4
99.00792	1.1
101.02350	9.5
101.06001	0.6
105.03424	0.3
105.74522	0.3
109.06525	1.6
111.00784	0.5
111.04422	3.3
113.02361	6.5
117.03427	0.5
119.03439	0.8
121.02927	0.6
122.03671	1.0
125.02374	12.3
126.02703	0.4
131.03418	0.4
133.02879	6.1
135.04453	5.7
135.05431	0.4
136.04782	0.4
139.03935	0.4
141.43884	0.3
143.03471	1.0
145.02898	2.0
149.02377	1.0
151.00317	0.8
151.07593	14.9
152.07954	0.9
153.05482	0.4
159.02985	0.6
160.01530	0.3
161.02397	17.7
161.04424	3.2
162.02701	1.1
163.03990	0.5
173.04529	0.3
177.05544	1.3
179.03462	4.8
179.05557	0.9
180.03691	0.4
191.05627	1.5
191.07147	0.3
195.06613	47.4
195.53165	0.3
196.06947	2.6
209.08139	0.4
219.06555	0.7
221.04536	1.2
238.45296	0.4
300.44354	0.4
310.28436	0.4
313.07501	0.3
315.25513	0.5
323.07794	15.7
324.08243	1.9
335.96375	0.3
351.21951	0.4
381.22934	2.0
399.23965	11.1
400.24200	1.0
411.14813	0.7
415.23572	1.5
417.25024	8.1
418.25308	1.2
433.24588	1.6
441.15796	0.6
442.41333	0.4
449.10806	1.4
459.30399	6.5
460.30124	1.0
475.25589	10.2
476.26062	1.4
477.24155	0.5
477.30743	2.7
519.15216	8.3
519.23077	1.1
519.31372	0.8
520.15112	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03035	0.4
51.24184	0.4
55.01756	0.6
57.03335	0.8
58.00468	0.9
59.01264	100.0
60.01612	2.6
61.01680	1.2
61.56016	0.4
64.24379	0.4
67.03078	0.5
69.03381	0.6
71.01269	12.2
72.01566	0.5
72.99208	1.2
73.02831	5.1
83.01302	1.8
85.02843	5.4
87.00775	1.7
87.04421	0.6
89.02339	4.3
93.03354	1.1
95.01295	1.4
97.02892	0.6
98.19735	1.1
99.00821	1.3
101.02343	8.5
102.02692	0.6
105.14338	0.4
109.02874	0.5
111.00826	1.2
111.04438	0.8
113.02358	6.9
117.03427	1.0
119.03431	2.1
119.04913	0.5
121.02885	0.7
125.02379	1.5
133.02893	8.9
134.03091	2.3
135.03503	0.9
135.04480	3.3
135.94006	0.5
137.02478	0.5
143.03433	1.2
145.02893	1.9
149.04510	1.0
161.02394	19.4
161.04399	3.0
162.02739	8.9
162.04852	0.9
163.02881	4.2
163.06044	1.1
173.04533	1.4
175.04028	0.5
177.01884	0.8
177.77730	0.4
178.02591	0.5
179.03490	2.3
179.05586	0.7
180.03822	0.8
191.05586	3.9
191.07072	0.5
205.51982	0.5
230.58145	0.9
231.60231	0.5
273.07162	1.1
313.16629	0.6
335.02139	1.4
357.26712	1.2
387.85028	0.6
399.23993	18.0
400.24585	1.4
417.25073	8.8
417.30164	0.8
417.39047	0.5
418.25543	1.3
447.22800	0.5
459.22409	2.1
459.27124	1.8
473.14590	1.0
474.15161	1.0
475.15201	12.6
475.25665	0.9
476.15390	1.0
477.23428	1.2
519.24084	0.6
519.31250	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	519.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
61.98700	10.1
74.28944	6.0
78.95805	7.2
87.00739	6.0
96.21333	5.8
98.20604	10.7
103.80054	5.3
117.58089	5.5
152.99547	17.0
197.11688	6.7
197.63060	6.0
236.01483	6.5
241.10875	6.3
269.24899	11.7
459.34891	23.9
471.12595	5.7
519.31958	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.261
Annotation	2alpha-hydroxytaxusin
Peak:m/z	Relative Intensity
55.01775	1.1
57.03346	1.0
58.00475	0.4
59.01266	100.0
60.01602	1.2
69.03360	0.8
71.01274	16.8
71.39990	0.4
71.40325	0.3
72.99207	1.0
73.02835	4.2
75.00764	0.4
78.95821	0.3
81.03382	0.3
83.01280	2.2
85.02845	9.4
87.00777	2.1
89.02340	3.9
90.81565	0.3
91.27857	0.3
95.01289	2.0
97.02861	7.8
99.00792	1.9
101.02348	8.7
109.02871	4.8
112.01597	0.4
113.02360	14.3
119.03429	1.3
125.02397	0.5
129.01854	0.3
131.03375	0.3
142.54453	0.3
143.03452	0.7
154.27925	0.3
155.08714	0.4
159.02997	0.6
161.04498	4.5
165.09166	0.7
171.11830	0.3
173.04555	0.3
174.06866	0.3
177.19843	0.3
186.06900	0.5
187.11316	0.9
189.12785	0.3
209.11897	0.4
210.79726	0.3
214.06345	0.3
215.07080	0.5
229.08887	0.5
255.17668	0.3
299.16507	1.4
315.19699	2.2
349.20322	0.6
349.67093	0.3
357.26672	0.3
367.21539	1.1
371.15207	0.4
411.21893	0.6
459.24002	19.9
460.24310	3.9
477.25082	14.8
477.32043	0.6
478.25372	2.4
519.26141	2.0
519.32404	3.3
520.32349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16963	0.8
55.01765	1.9
57.03344	2.1
58.00468	2.1
59.01267	100.0
60.01617	1.2
68.99683	0.8
69.03342	1.9
69.48433	2.5
69.48849	5.3
71.01275	42.0
72.99195	3.5
73.02841	45.6
75.00753	6.1
83.01276	12.2
83.04890	1.3
83.27508	0.8
85.02851	19.6
87.00789	5.0
89.02345	9.6
93.03365	6.1
95.01287	4.0
97.02800	0.9
99.00768	4.5
101.02352	37.7
102.02685	1.6
102.19649	1.0
103.00249	1.2
109.02840	1.4
111.00796	1.3
111.04401	1.9
113.02363	26.5
119.03414	3.9
119.04907	1.0
125.02318	2.0
127.03924	2.0
131.03444	4.4
143.03432	4.0
149.04492	5.2
155.03427	2.1
161.04515	9.5
173.04526	1.8
177.01926	3.2
191.05595	55.4
192.05879	4.0
195.06598	2.2
197.09697	1.5
207.05022	1.2
221.06686	2.1
249.06195	5.9
266.92807	0.9
267.07281	17.6
268.07513	1.4
283.09891	1.8
309.08435	1.0
326.01212	0.8
327.08957	1.1
417.14273	1.2
489.19742	1.1
501.19699	3.6
519.20923	29.8
520.21539	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	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64396	1.1
58.00487	1.2
59.01264	100.0
70.81680	1.1
71.01267	31.8
72.01562	1.4
73.02834	40.3
73.90892	1.2
74.03167	1.4
76.24078	1.1
78.95784	9.5
79.94353	1.0
83.01288	9.6
85.02843	5.5
87.00776	2.7
89.02344	8.5
93.03350	1.7
95.01300	1.8
96.95879	1.8
96.96865	6.8
99.00815	1.8
101.02344	36.8
113.02354	22.0
119.03418	5.6
121.02814	2.0
123.40191	1.2
125.02377	3.7
131.03418	3.8
133.36230	1.2
134.03677	1.4
135.04463	2.1
136.01599	24.0
136.04753	1.1
137.02313	1.5
143.03427	5.2
149.04489	5.5
151.03961	28.7
152.04320	1.3
155.03450	1.3
161.02382	3.1
161.04503	14.9
172.70572	1.2
173.04478	2.5
174.04849	1.6
176.05145	1.5
187.25954	1.3
191.05611	7.5
195.06572	3.2
221.06720	2.0
224.26218	1.2
229.68021	1.5
233.09438	6.0
274.54126	1.2
304.06924	1.3
342.10876	1.3
355.09473	1.6
357.10071	2.2
357.13547	31.6
358.14059	1.4
415.23605	1.5
475.21625	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2454
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01759	2.0
57.03337	2.6
58.00484	4.0
58.40372	0.4
59.01266	86.8
60.01589	1.2
63.10649	0.4
67.01796	0.5
69.03348	2.5
71.01272	92.7
71.04926	0.5
72.01606	1.4
72.99204	5.7
73.02839	22.8
75.00770	6.0
78.95815	0.5
81.03371	0.7
83.01278	4.6
85.02847	21.5
86.03201	0.5
87.00777	6.3
89.02339	100.0
90.02691	1.9
91.25225	0.4
93.03385	0.9
95.01289	5.0
96.95946	0.8
97.02866	3.9
99.00782	37.2
99.04453	1.1
100.01163	0.9
101.02349	52.8
102.02689	1.2
103.00331	0.5
109.02901	0.5
111.00816	1.2
113.02358	28.9
114.02710	0.9
115.00361	0.5
115.03905	3.3
117.01868	1.3
118.39837	0.4
119.03423	12.2
119.04248	0.8
125.02370	9.0
125.03232	0.5
126.02664	0.4
129.01880	1.1
130.99744	0.4
131.03429	17.8
131.04376	1.0
132.03795	0.6
135.04543	0.4
137.09709	0.6
141.30365	0.4
143.03448	3.9
147.11826	0.8
149.04503	51.2
150.04851	1.0
157.06566	0.6
157.87701	0.4
159.02977	1.2
159.11716	2.1
161.02448	0.5
161.04501	10.8
161.09796	0.5
162.06895	0.6
163.11234	0.5
168.06732	0.4
173.04567	0.9
173.09712	3.1
175.02556	0.6
177.12921	1.7
179.05566	3.8
181.05054	0.6
189.12827	27.2
190.13278	1.9
191.05588	21.2
192.05983	0.7
195.06647	1.0
207.13933	4.2
221.06660	2.4
233.06714	4.9
249.06163	4.3
251.07735	4.8
267.07269	12.4
268.07904	0.7
272.38092	0.4
293.08810	5.9
294.09378	0.5
311.10233	1.3
377.50916	0.5
387.20374	15.1
388.20673	2.0
445.17755	1.1
483.19543	0.5
501.20074	0.8
519.09271	1.5
519.25360	65.6
520.25659	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	519.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.6
56.88164	0.3
57.03349	1.8
58.00481	3.7
59.01266	78.8
60.01591	1.1
61.98661	0.3
67.01778	0.4
69.03342	2.0
69.71664	2.2
71.01273	83.3
71.99899	0.3
72.01603	1.4
72.99200	5.8
73.02838	23.4
74.03172	0.3
75.00766	2.6
81.03351	1.5
83.01287	4.2
84.02035	0.3
85.02846	17.2
87.00774	4.8
89.02341	100.0
90.02670	2.0
90.03165	0.3
93.03343	1.6
95.01280	3.5
96.95912	1.2
97.02857	4.3
99.00785	38.3
99.04436	0.8
100.01094	0.6
101.02351	56.9
102.02692	1.0
108.33377	0.3
109.02872	0.7
109.06511	0.4
111.00781	0.9
111.04432	0.6
113.02362	23.8
114.02680	0.3
115.03925	3.1
117.01870	0.5
119.03421	12.9
119.04256	0.6
119.04852	0.5
120.03768	0.4
121.02885	0.7
123.08115	1.5
125.02377	11.8
126.02705	0.4
127.03924	0.5
129.01860	0.4
131.03438	20.4
132.03761	0.5
135.04494	0.6
137.09705	0.6
141.01886	0.4
143.03465	4.1
149.04504	66.2
150.04842	1.8
151.07573	2.3
152.08379	0.4
153.09181	0.5
159.02983	1.3
161.04509	12.0
162.04887	0.6
162.06836	0.6
163.11234	2.0
171.11862	0.4
173.04514	1.3
173.09663	2.8
179.05605	4.8
181.05135	0.4
189.12837	24.2
190.13199	1.9
191.05589	25.9
192.05922	1.8
193.06062	1.1
195.06624	6.9
196.07085	0.5
207.10342	0.4
207.13919	5.7
208.14230	0.4
221.06660	2.6
225.15027	0.8
226.06416	0.5
233.06689	7.8
241.08801	0.5
249.06285	1.3
251.07764	5.9
252.08179	0.5
253.08777	0.6
254.09599	0.8
267.07239	2.8
275.07806	0.6
293.08875	8.8
294.09351	0.5
311.10086	1.2
367.10587	0.5
387.20334	16.2
388.20743	2.2
431.19400	1.7
455.29337	0.3
475.22330	0.4
519.24945	90.9
520.25269	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	519.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.4
57.03331	0.3
59.01268	13.8
60.01608	0.4
61.98721	0.7
68.99706	1.7
69.03317	0.3
71.01276	5.3
71.60650	0.3
72.99210	0.3
73.02844	1.7
75.00769	0.5
75.13644	0.2
81.03340	0.2
83.01295	0.9
85.02847	2.5
85.99972	0.3
87.00764	0.9
89.02338	2.1
89.03901	0.2
93.03345	0.9
95.01268	0.5
98.95500	0.3
99.00802	1.0
99.04404	0.2
99.92487	0.3
101.02349	3.5
101.39423	0.2
102.98529	0.3
109.02846	0.3
111.04409	0.2
113.02360	2.3
115.05450	0.7
115.91995	0.6
116.92772	2.8
117.03384	25.8
118.03678	0.9
119.03482	0.5
119.04948	15.0
120.05284	0.6
121.02893	0.7
125.02393	0.6
129.01860	0.2
131.03427	0.2
132.02144	0.3
133.02908	0.5
134.03642	0.4
135.04515	0.3
137.02385	0.2
143.04970	15.5
144.05318	0.9
145.02893	100.0
146.03224	4.5
147.04446	0.3
149.04549	0.3
157.06540	0.7
159.02988	0.2
159.04439	0.2
160.01601	0.6
161.02373	0.3
161.04517	1.1
161.06029	1.7
163.03963	11.7
164.04323	0.5
165.04015	0.4
167.23984	0.2
169.12315	0.3
171.55267	0.2
173.04509	0.3
175.04021	0.4
177.01781	0.2
179.05582	0.3
187.03986	23.1
188.04320	1.3
191.05620	0.9
199.79018	0.2
201.66791	0.2
205.05049	2.6
215.07048	0.3
227.61415	0.2
233.06595	0.3
293.08832	0.5
314.66229	0.2
331.17639	1.4
357.26453	0.3
371.15198	0.3
399.16556	0.4
399.24377	0.4
459.20325	5.6
460.20724	0.8
463.26212	0.2
475.25522	1.2
477.21402	3.0
478.21735	0.7
519.22491	75.0
520.14819	0.4
520.22766	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	519.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.4
57.03331	0.3
59.01268	13.8
60.01608	0.4
61.98721	0.7
68.99706	1.7
69.03317	0.3
71.01276	5.3
71.60650	0.3
72.99210	0.3
73.02844	1.7
75.00769	0.5
75.13644	0.2
81.03340	0.2
83.01295	0.9
85.02847	2.5
85.99972	0.3
87.00764	0.9
89.02338	2.1
89.03901	0.2
93.03345	0.9
95.01268	0.5
98.95500	0.3
99.00802	1.0
99.04404	0.2
99.92487	0.3
101.02349	3.5
101.39423	0.2
102.98529	0.3
109.02846	0.3
111.04409	0.2
113.02360	2.3
115.05450	0.7
115.91995	0.6
116.92772	2.8
117.03384	25.8
118.03678	0.9
119.03482	0.5
119.04948	15.0
120.05284	0.6
121.02893	0.7
125.02393	0.6
129.01860	0.2
131.03427	0.2
132.02144	0.3
133.02908	0.5
134.03642	0.4
135.04515	0.3
137.02385	0.2
143.04970	15.5
144.05318	0.9
145.02893	100.0
146.03224	4.5
147.04446	0.3
149.04549	0.3
157.06540	0.7
159.02988	0.2
159.04439	0.2
160.01601	0.6
161.02373	0.3
161.04517	1.1
161.06029	1.7
163.03963	11.7
164.04323	0.5
165.04015	0.4
167.23984	0.2
169.12315	0.3
171.55267	0.2
173.04509	0.3
175.04021	0.4
177.01781	0.2
179.05582	0.3
187.03986	23.1
188.04320	1.3
191.05620	0.9
199.79018	0.2
201.66791	0.2
205.05049	2.6
215.07048	0.3
227.61415	0.2
233.06595	0.3
293.08832	0.5
314.66229	0.2
331.17639	1.4
357.26453	0.3
371.15198	0.3
399.16556	0.4
399.24377	0.4
459.20325	5.6
460.20724	0.8
463.26212	0.2
475.25522	1.2
477.21402	3.0
478.21735	0.7
519.22491	75.0
520.14819	0.4
520.22766	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	519.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.1
55.31149	0.1
57.03344	0.1
59.01266	2.7
60.01591	0.1
67.11852	0.1
69.21823	0.8
71.01271	1.2
72.99204	0.1
73.02833	0.5
73.73795	0.1
77.03869	0.1
83.01275	0.2
85.02828	0.7
87.00761	0.1
88.95953	0.1
89.03842	0.1
93.03358	0.1
99.00790	0.2
101.02341	0.9
104.02629	0.1
105.03364	0.4
107.04964	0.1
113.02364	0.4
115.01823	0.2
117.03380	0.6
121.02843	0.1
123.04481	0.1
132.02089	1.6
133.02881	32.1
134.03268	1.4
135.04446	7.2
136.04778	0.4
137.02374	0.6
139.03925	0.2
150.03168	0.1
153.12729	0.1
159.02985	0.1
159.04431	0.2
160.01578	0.1
161.02390	100.0
162.02725	5.6
163.02806	0.4
163.69228	0.1
173.06117	0.1
178.02695	0.2
179.03461	4.9
180.03821	0.2
191.05597	0.1
203.03586	0.3
236.12741	0.1
303.04236	0.1
315.18286	0.1
330.63614	0.1
415.21704	0.1
477.21295	0.2
478.21384	0.1
519.22418	69.1
520.22766	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	519.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39491	0.0
55.01765	0.1
57.03334	0.1
59.01266	3.1
60.34001	0.0
70.16190	0.3
71.01268	1.1
72.99205	0.1
73.02830	0.4
75.00784	0.1
77.03856	0.1
83.01279	0.2
85.02843	0.6
87.00772	0.2
89.02374	0.1
89.03888	0.3
91.05426	0.1
93.03360	0.1
95.01313	0.1
95.04947	0.1
97.02869	0.1
99.00796	0.3
101.02334	0.6
104.02591	0.1
105.03372	0.5
107.04965	0.1
109.02859	0.1
111.00785	0.1
113.02390	0.4
115.01799	0.3
117.03388	0.6
119.86873	0.0
121.02911	0.1
123.04433	0.2
125.02445	0.1
129.01836	0.2
132.02101	2.0
133.02884	37.4
134.03297	1.4
135.04451	9.5
136.04776	0.4
137.02356	0.7
139.03908	0.2
149.06062	0.1
150.03128	0.1
159.03207	0.0
159.04370	0.3
160.01581	0.1
161.02393	100.0
162.02724	5.3
162.04137	0.1
163.04051	0.1
173.06137	0.1
177.04079	0.1
178.02727	0.1
179.03459	6.7
180.03792	0.3
203.03529	0.3
219.03069	0.1
219.05072	0.1
321.06140	0.4
339.07419	0.1
381.08325	1.3
382.08713	0.1
459.20557	0.1
475.23477	0.1
477.21115	0.3
513.69177	0.1
519.22443	56.5
520.22791	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	519.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30099	0.1
55.01773	0.1
55.90804	0.1
57.03342	0.1
59.01266	2.7
62.00587	0.1
62.59541	0.1
68.52586	0.1
69.43175	0.3
69.43608	0.3
71.01269	1.2
73.02835	0.4
77.03846	0.1
78.95823	0.1
83.01268	0.2
85.02843	0.7
87.00789	0.1
89.02350	0.2
89.03864	0.2
93.03364	0.1
95.01289	0.1
95.04924	0.1
99.00783	0.2
101.02337	0.6
104.02608	0.1
105.03358	0.5
106.04176	0.1
107.04976	0.1
113.02364	0.4
115.01834	0.2
117.03396	0.7
119.04983	0.1
121.02865	0.1
123.04433	0.2
132.02101	1.8
133.02881	33.0
134.03268	1.5
135.04451	7.8
136.04796	0.4
137.02374	0.7
139.03955	0.2
150.03125	0.1
159.04462	0.2
160.01620	0.1
161.02390	100.0
162.02727	5.8
162.04147	0.1
163.02859	0.3
163.04083	0.1
173.06081	0.1
175.03920	0.1
178.02676	0.2
179.03452	4.3
180.03802	0.2
181.04990	0.1
191.05569	0.2
203.03494	0.2
247.06105	0.1
348.22723	0.1
383.33560	0.1
477.20953	0.3
518.21558	0.1
518.32397	0.1
519.22430	64.4
520.22784	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	519.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46188	0.3
55.01776	1.6
57.03336	3.1
58.00489	2.0
59.01266	100.0
60.01605	1.7
61.01685	0.8
61.98723	3.0
65.00198	0.4
67.01782	1.2
68.99712	1.4
69.03342	1.3
71.01273	37.9
71.04951	0.4
71.60411	0.7
72.01591	0.7
72.99201	5.8
73.02835	4.7
74.02361	0.8
74.98972	0.4
75.00771	10.3
78.95804	1.5
81.03356	0.9
83.01279	2.3
83.04922	0.6
84.02095	0.5
85.02847	19.9
86.03188	0.7
87.00780	7.5
89.02339	26.8
90.02692	0.5
91.03946	0.5
93.03362	3.3
95.01286	5.0
96.95902	2.2
96.96890	0.5
97.02847	0.8
97.06531	0.6
99.00785	8.1
99.04417	5.1
99.05490	0.4
101.02347	16.4
102.02657	0.5
102.98518	1.6
103.00289	1.5
108.02108	0.6
109.02882	1.9
111.00810	1.2
111.04453	1.0
113.02360	26.0
114.02730	1.3
115.00320	1.3
115.91972	0.4
116.92780	0.8
117.01866	1.6
117.03373	2.1
117.97256	1.4
119.03420	10.5
119.04880	2.3
121.02920	0.6
121.06432	0.5
124.03970	0.7
125.02398	1.3
125.03516	1.5
127.03979	0.4
129.01880	1.5
131.03468	1.6
133.02893	0.8
134.03690	4.3
135.04437	1.4
136.01628	0.4
137.02391	1.1
137.07076	0.5
137.09619	1.3
139.03958	0.5
143.03461	2.9
143.10793	0.4
145.02898	7.0
146.03200	0.4
148.05298	0.5
149.04491	1.5
149.05951	0.9
151.00366	0.9
151.04019	0.4
153.01891	1.7
155.03442	0.4
155.08176	0.6
157.01334	0.8
159.02950	0.5
160.01646	1.3
161.02367	1.3
161.04514	4.0
161.05872	0.6
162.03151	0.8
162.04752	0.4
163.03937	2.0
163.11194	0.7
163.60234	0.4
164.04433	0.4
165.04045	0.6
165.06656	1.2
165.12827	1.8
173.04561	2.5
175.02477	1.8
175.04010	2.4
175.07635	0.8
177.01894	0.6
177.05557	0.7
178.02783	0.8
179.03415	0.7
179.03972	0.6
179.05585	6.4
179.07001	0.6
181.12317	1.9
183.01173	0.9
189.12880	1.2
191.05618	7.5
192.04320	0.5
192.05939	0.8
193.04973	3.0
195.06639	2.1
205.05148	0.4
205.07158	1.0
207.05089	0.6
207.13889	5.1
209.05681	0.5
209.11884	3.0
211.07677	0.4
213.14978	0.6
225.05266	2.0
225.11299	4.1
225.14857	0.6
231.05157	1.4
231.10338	1.0
247.13795	0.8
249.06201	16.6
249.11447	2.1
250.06572	1.3
251.13031	1.4
253.04668	4.5
253.08897	0.4
267.07291	10.6
267.09995	0.8
268.07635	2.5
269.07773	2.7
269.13986	3.4
271.06064	1.9
272.06290	0.4
293.10437	3.9
299.02005	0.5
300.02863	0.6
309.08310	4.0
309.15063	0.6
310.08716	0.6
311.13010	1.1
315.05026	0.7
339.25610	0.8
343.17792	1.9
353.14145	0.5
357.26630	2.9
358.27667	0.5
367.15576	0.4
371.15155	1.1
383.11597	0.6
391.23380	0.6
399.16736	1.3
399.23865	0.5
400.90509	0.4
428.82410	0.4
457.20856	1.1
459.13205	3.8
459.19189	0.8
459.25885	1.9
460.13559	0.7
475.12433	0.7
497.19989	0.4
501.19913	6.9
501.31100	1.2
502.20703	1.0
519.21198	80.1
519.32013	15.9
520.13672	0.9
520.21283	12.1
520.31866	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.8
57.03329	2.2
59.01265	30.3
61.98714	1.9
67.01759	0.6
68.99703	0.8
69.03314	0.7
69.26003	0.5
69.26405	5.4
71.01273	12.8
72.99205	2.6
73.02840	1.4
75.00764	8.4
81.32570	0.5
83.01260	1.3
85.02350	0.9
85.02838	12.7
87.00768	4.7
89.02355	3.5
93.03352	0.9
95.01299	2.5
97.02884	0.8
99.00774	6.1
99.04418	1.5
101.02339	1.4
103.00285	1.4
103.58653	0.5
109.02828	0.6
111.00780	1.7
113.02355	17.5
114.01620	0.4
114.02623	0.6
115.00306	0.8
117.01854	1.3
117.92817	0.6
123.04470	0.7
125.02377	1.1
125.95883	0.5
129.01862	1.3
131.03409	0.9
133.02863	0.9
134.03615	0.6
139.00282	2.0
139.08376	0.5
145.02852	0.6
148.01573	1.4
153.05534	0.9
157.01347	0.5
160.01653	0.6
161.02386	1.0
163.03920	2.1
165.12785	1.7
173.04504	0.9
175.02452	1.7
179.03435	0.8
189.12813	1.2
191.05623	2.9
193.04982	0.9
205.05070	0.7
205.06999	0.6
207.05040	1.0
207.13892	3.6
209.11760	3.2
214.03062	0.6
226.82881	0.5
231.05077	0.8
249.06174	6.8
250.25336	0.5
267.07275	18.3
268.07520	1.1
269.13989	1.4
343.17737	2.2
393.08392	0.5
457.20654	1.1
459.18704	1.5
501.19894	3.7
504.18976	0.5
519.20923	100.0
520.13098	0.5
520.21216	14.6
521.97382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.4
57.03334	2.0
58.02827	0.3
59.01266	26.0
60.01603	0.6
64.54159	0.2
67.01750	0.4
69.03329	0.8
71.01272	16.4
72.99207	3.2
73.02839	1.3
74.02370	0.7
75.00766	8.5
78.95805	1.1
83.01258	0.6
85.02843	16.7
85.37975	0.3
87.00776	5.9
89.02338	5.7
91.03928	0.7
93.03362	0.8
95.01297	3.5
96.95924	0.7
96.96863	0.7
98.19797	0.5
99.00777	6.3
99.04446	1.5
101.02343	2.4
103.00284	1.8
109.06477	0.8
112.01598	0.6
113.02361	25.6
114.02690	1.0
115.00277	1.1
117.01849	1.4
119.03391	0.5
119.04993	0.6
121.06483	0.3
127.03973	0.3
128.03470	1.0
129.01851	1.4
131.03410	1.0
134.37445	0.3
141.64133	0.3
143.04570	1.2
145.02896	0.4
149.04463	0.4
157.01372	0.7
161.04536	0.5
165.12788	1.1
173.04501	0.6
175.02449	2.1
183.14011	0.3
189.12845	1.0
191.05579	1.8
191.10780	0.5
193.03581	0.3
205.07184	0.6
207.05061	1.1
207.13907	3.2
209.11830	2.3
210.08879	0.3
233.09695	0.4
249.06183	5.8
251.13005	0.7
254.07863	0.4
267.07266	32.9
268.07721	1.7
269.14020	1.0
272.08887	1.5
309.07806	0.3
339.12488	0.5
343.17661	2.3
415.23438	0.3
457.20740	1.2
459.18771	1.7
460.19382	0.4
471.18631	0.4
501.19980	2.8
502.21152	0.5
519.20947	100.0
520.21320	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	519.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.4
57.03329	2.6
58.00480	3.1
59.01268	83.8
60.01579	0.8
67.01790	1.7
68.99706	0.9
69.03339	2.7
71.01273	86.4
71.56527	1.0
72.01606	0.8
72.99195	6.3
73.02840	20.8
73.03249	1.1
75.00764	6.5
80.64082	0.6
81.03377	1.0
83.01273	5.1
83.04938	1.0
84.02128	0.7
85.02846	23.2
85.03355	1.2
87.00774	7.3
88.01132	0.6
89.02343	100.0
90.02701	1.4
93.03365	4.1
94.43945	0.6
95.01291	4.6
96.95929	1.7
97.02872	3.9
97.06507	0.6
99.00784	34.1
99.04411	1.4
100.01127	0.6
101.02352	49.9
102.02752	1.2
111.00848	1.4
111.04487	1.5
113.02363	31.6
114.02666	0.9
115.00323	0.9
115.03933	3.2
117.01891	1.1
119.03432	13.6
119.04997	1.9
121.02894	0.7
125.02377	8.5
129.01884	1.4
131.03439	16.7
135.04526	0.7
143.03438	4.1
147.11768	0.9
149.04509	59.0
150.04924	2.5
151.04027	0.6
159.03041	1.0
159.11848	2.5
161.04526	11.7
161.05806	0.6
161.09776	1.0
163.04012	1.2
173.04675	1.9
173.09779	2.5
175.02547	0.8
177.12914	2.3
178.57191	0.6
179.03503	0.8
179.04184	0.7
179.05568	4.0
189.12831	24.6
190.13306	1.5
191.05602	34.9
192.06102	1.7
195.06737	1.4
205.44368	0.7
207.13887	4.8
221.06744	3.0
231.05508	0.7
233.06723	5.2
240.39880	0.6
249.06239	5.7
251.07762	4.6
267.07269	15.8
268.07724	1.0
269.14258	0.9
275.08072	1.1
287.83566	0.6
293.08890	7.3
294.09433	0.8
311.10184	0.9
337.09769	1.6
355.04916	0.6
374.61292	0.6
387.20367	14.7
388.21344	1.9
431.19724	0.6
445.17874	0.9
483.19186	0.7
501.20599	1.4
519.25543	78.7
520.26031	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	519.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74935	0.5
59.01265	31.1
60.01594	0.6
65.45339	0.5
71.01271	16.0
71.58356	0.5
71.58805	0.9
72.26804	0.5
72.99228	1.1
73.02833	6.4
75.00760	1.3
83.01264	0.9
85.02840	2.9
87.00762	1.4
89.02340	19.5
93.03360	0.6
96.95917	2.0
97.02844	0.7
99.00778	19.7
101.02345	8.7
102.02677	0.5
111.04390	0.5
113.02358	6.0
116.03450	0.6
116.92783	3.6
117.01866	0.7
119.03435	1.8
121.02913	0.6
125.02347	1.0
131.03421	4.3
149.04492	2.9
161.04471	1.3
163.11292	3.2
174.64380	0.6
181.05022	0.7
191.05586	7.8
195.06592	1.4
207.10271	2.6
267.07251	1.4
387.16663	1.6
440.17554	0.6
519.20935	100.0
520.21289	13.2
547.39679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.173
Annotation	Swertiapunimarin
Peak:m/z	Relative Intensity
51.81282	0.1
57.03330	0.4
59.01264	1.7
64.28275	0.1
65.00194	0.4
67.01783	0.1
68.99702	0.1
69.03355	0.2
69.80545	0.5
71.01260	0.5
72.64760	0.1
73.02797	0.1
81.03349	2.8
83.01253	0.6
85.02855	0.2
85.06487	0.4
87.00771	0.2
87.04414	0.4
89.02350	0.3
93.03365	0.5
95.01290	0.2
95.04935	0.2
97.02854	0.3
101.02376	0.1
107.01316	0.2
107.04908	0.1
108.02106	0.1
109.02858	0.3
109.06499	1.6
111.04420	2.6
112.04696	0.1
113.02377	0.2
113.06036	0.2
119.04861	0.1
121.02876	0.4
122.03642	0.9
123.04417	0.4
123.08060	0.2
124.01555	0.1
125.02371	4.8
126.02722	0.2
127.07573	0.2
131.01341	0.2
131.03456	0.1
133.02895	0.1
135.04526	0.2
137.02390	0.2
139.03920	0.2
147.08173	0.1
149.02379	1.1
149.83522	0.1
151.00340	0.7
151.07587	29.7
152.01051	0.5
152.07939	1.5
153.05513	0.4
158.72758	0.1
161.02362	0.1
163.03906	0.1
163.07565	0.2
165.05457	0.6
165.09100	0.2
167.03441	0.2
167.07054	0.1
173.04459	0.1
175.00304	0.4
175.07544	0.1
177.05576	0.5
179.03473	0.3
179.07043	0.5
191.05574	1.2
191.07130	1.0
193.04884	0.1
193.08653	0.2
194.05814	0.3
195.06606	100.0
196.06944	5.7
201.05565	0.3
207.06613	0.4
208.07448	0.2
209.08194	2.0
210.08545	0.1
219.06627	17.6
220.06984	1.2
221.08160	0.2
237.07707	6.2
238.08032	0.4
249.07713	1.8
261.07739	0.3
267.08813	0.1
279.08823	0.1
297.09909	0.8
299.01547	0.1
337.03174	0.1
339.11017	0.4
357.11984	29.8
358.12314	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	519.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.3
59.01267	16.4
62.23855	0.5
65.00181	0.6
67.01784	0.7
68.99709	0.7
69.03329	1.9
69.57590	0.6
71.01271	5.9
73.02847	2.6
78.95794	0.8
81.03345	6.7
83.01279	5.4
83.04904	1.7
85.02846	3.2
85.06477	0.9
87.00748	1.0
87.04420	1.3
89.02339	2.3
93.03355	3.9
95.01281	1.8
95.04942	4.2
96.95905	1.0
96.96925	0.6
97.02856	4.0
99.00816	0.7
99.04417	1.6
100.99464	0.5
101.02351	3.7
107.04901	1.0
108.02058	0.9
109.02898	3.2
109.03493	0.5
109.06496	1.6
111.00788	1.4
111.04431	9.3
113.02353	3.5
113.05967	0.7
119.03453	0.7
119.04942	0.9
121.02887	3.2
121.06514	1.4
123.00803	1.1
123.04445	6.9
123.08078	1.5
125.02380	10.7
133.02870	0.8
135.04446	3.7
136.04778	1.1
137.02394	4.3
137.06003	2.8
139.03957	5.7
143.03461	0.7
145.02899	0.7
147.04433	1.5
149.02347	1.1
149.06010	1.2
151.00252	0.7
151.03957	3.1
151.07588	12.8
152.07924	0.7
153.05472	2.2
154.35374	0.5
155.03403	0.9
161.02399	2.1
161.09659	0.6
163.03978	1.5
163.07565	1.2
164.04797	0.9
165.01865	1.0
165.05569	3.0
165.09148	3.3
167.03455	16.7
167.07039	3.4
168.03819	1.1
169.05023	0.6
173.04556	0.9
173.05962	0.8
173.22308	0.5
177.05516	1.2
179.03461	3.3
179.07080	1.0
180.03899	0.7
181.05058	1.0
182.07040	0.5
187.07622	1.1
189.09167	1.5
191.03644	1.2
191.05562	7.8
191.07164	2.0
192.05904	1.2
193.05022	2.3
193.08682	1.6
195.06613	35.0
196.06984	1.7
197.04539	3.6
201.04024	0.6
203.07063	0.7
205.04958	0.8
205.08743	1.5
207.06622	4.8
208.07347	0.9
209.04553	19.8
209.07918	1.2
210.04904	0.9
215.07115	1.1
217.08739	1.2
219.06708	1.3
221.08131	2.8
225.07709	0.6
231.06572	1.0
233.08244	0.9
235.09579	1.1
237.07698	21.6
238.08012	0.8
239.03462	0.6
239.05638	8.4
247.06055	0.8
249.07698	9.1
250.08165	0.7
251.09221	1.3
253.14441	1.5
257.08255	0.7
261.07770	1.2
263.09277	2.4
267.08893	6.0
269.06711	1.6
275.05618	0.7
275.09375	0.7
279.08789	100.0
280.09183	8.5
291.08801	4.7
293.10434	1.1
303.08603	0.8
309.09857	71.2
310.10184	5.2
321.09839	3.9
339.10944	20.8
340.11154	1.4
351.10776	1.4
353.08813	0.7
363.10880	0.7
381.12003	7.0
399.13028	20.9
400.13354	2.0
411.13058	5.7
429.13919	3.1
475.21945	5.1
476.21985	0.8
501.16281	1.6
519.17389	15.1
519.25366	1.0
519.28723	0.9
520.17688	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.152
Annotation	Centapicrin
Peak:m/z	Relative Intensity
55.01782	0.3
57.03338	2.3
58.02127	0.2
59.01265	23.1
60.01594	0.3
61.98708	0.8
65.00215	0.4
67.01771	0.3
69.03350	0.6
70.61008	0.2
71.00895	0.6
71.01272	6.8
72.99207	0.4
73.02834	1.1
74.37797	0.2
75.00760	0.4
78.77028	0.2
81.03351	4.3
83.01263	1.9
85.02849	2.5
85.06494	0.6
87.00782	0.4
87.04408	0.7
87.66315	0.3
89.02340	2.1
93.03378	0.8
95.01292	0.5
95.04939	0.3
96.95915	0.6
97.02826	0.5
97.78412	0.3
98.20574	0.6
99.00787	0.7
99.04411	0.8
101.02354	3.7
105.03384	0.4
107.01283	0.5
107.04887	0.3
108.02069	0.3
109.02890	0.4
109.06506	2.5
111.00764	0.5
111.04430	7.0
113.02358	3.3
117.03378	2.0
119.03455	0.6
119.04932	0.8
121.02892	0.8
122.03632	1.7
123.08082	0.4
125.02370	22.7
126.02730	0.7
127.07563	0.4
132.02109	0.7
133.02887	11.0
134.03622	0.9
135.04456	10.1
136.04729	0.3
137.02391	0.8
139.03912	0.3
143.03447	0.6
145.02876	4.8
147.04420	0.3
149.02426	0.6
149.06029	0.9
151.00316	0.9
151.07594	34.1
152.07957	1.3
153.05502	0.5
160.01601	0.4
161.02391	32.9
161.04550	1.4
162.02690	1.2
163.03925	0.7
167.38539	0.3
173.04533	0.3
175.03995	0.8
177.01898	0.8
177.05516	2.8
178.02704	0.6
178.43605	0.3
179.03473	8.2
179.05289	0.5
179.05702	0.5
187.03990	0.3
191.03830	0.4
191.05569	2.3
191.07056	0.5
192.05946	0.4
193.05020	0.6
195.06609	100.0
196.06949	5.6
203.03401	0.6
219.06702	1.4
221.04570	2.6
237.07663	0.3
251.05724	0.3
261.07779	0.5
263.05789	0.5
274.08533	0.3
280.05975	0.3
281.06754	0.9
318.07578	0.3
323.07785	33.0
324.08099	2.5
375.20374	0.3
381.22650	0.3
383.13638	0.6
397.16458	0.3
399.23883	2.2
415.23386	0.6
417.25122	1.6
421.07828	0.5
433.24426	0.5
449.11023	3.6
450.11511	0.4
459.29794	0.9
475.25549	3.3
476.26132	0.3
477.23895	1.4
477.30533	0.4
489.19104	0.3
519.15289	22.4
519.23138	2.9
520.15479	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	519.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55660	0.2
59.01265	4.2
65.00208	0.8
67.08894	0.3
69.74330	2.0
71.01286	0.7
73.02833	0.4
74.02369	0.8
78.95798	0.8
83.01263	0.6
85.02853	0.5
86.02348	0.4
87.00742	0.4
91.01814	0.3
93.03335	0.3
96.96859	0.8
99.04384	0.4
99.05559	0.7
100.83536	0.3
101.02354	0.7
101.03848	0.4
107.01303	1.3
108.02032	0.4
113.02322	0.4
117.03394	0.3
125.02369	0.5
128.03482	1.9
133.02852	0.4
135.04495	0.3
135.05548	0.4
143.04543	2.3
145.02887	1.8
147.00800	0.6
148.01593	0.4
151.00299	4.6
151.03967	0.5
155.04936	0.8
157.02925	0.6
159.04497	0.4
161.02383	0.9
163.00304	0.6
169.01408	0.4
169.02843	0.4
171.04465	1.3
173.04501	0.4
173.51720	0.3
175.03960	0.4
179.04634	0.6
183.04449	2.0
185.02380	0.3
187.03983	1.3
189.01949	0.3
191.05547	1.5
199.03972	7.4
200.04410	0.4
201.01947	0.8
203.03448	0.7
210.08864	0.6
211.03952	1.3
215.03529	2.9
226.02629	0.7
227.03511	7.2
228.03755	0.8
229.01482	0.5
233.09427	0.7
242.02222	3.1
243.03004	28.8
244.03519	2.8
254.02280	0.8
254.07846	1.5
255.03029	14.1
256.03445	1.2
257.04562	4.1
258.05023	0.5
270.01801	3.6
271.02527	41.9
272.03000	5.2
272.08945	2.3
285.04126	8.2
286.04758	3.2
287.05582	1.1
299.02032	56.3
300.02725	23.8
301.03204	1.9
313.03650	0.3
314.04391	54.9
315.05148	100.0
316.05505	9.5
337.03632	0.5
357.06180	0.9
390.67108	0.3
391.18900	0.4
459.09332	0.4
477.23880	0.4
502.22568	0.8
519.11548	76.2
520.11908	11.9
520.23486	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	519.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	4.9
61.97340	0.3
63.02297	0.4
65.00191	0.8
70.47033	0.4
71.01260	1.0
71.58199	0.6
72.79817	0.3
73.02845	0.4
74.02368	0.8
78.95810	1.1
82.95306	0.5
83.01287	0.4
85.02853	0.6
87.00717	0.4
87.05533	0.4
93.03351	0.4
96.96860	0.7
99.05536	1.0
101.02358	0.6
107.01284	1.5
113.02354	0.5
117.03335	0.4
119.03487	0.4
119.87351	0.4
125.02395	0.5
128.03458	2.6
133.02901	0.7
135.04448	0.6
135.05469	0.4
143.04553	3.2
145.02904	1.6
145.53870	0.4
146.04472	0.4
147.00899	0.3
151.00317	4.2
152.49911	0.4
155.04938	0.7
157.02876	0.4
161.02382	1.1
163.00322	0.4
167.04941	0.3
169.02867	0.4
171.04442	1.0
173.04512	0.4
179.04665	0.8
183.04514	1.8
185.02446	0.8
187.03960	1.0
191.05612	1.6
199.03981	6.6
200.04497	0.6
201.01968	0.9
203.03494	0.8
210.08894	0.7
211.04036	1.3
215.03511	2.8
216.03943	0.6
226.02727	0.8
227.03497	6.4
228.03900	0.5
229.01607	0.4
231.02678	0.3
233.09500	0.4
242.02225	3.4
243.03008	27.7
244.03439	2.8
247.13692	0.6
254.02251	0.8
254.07864	1.4
255.03004	14.7
256.03387	1.7
257.04578	3.9
259.06177	0.5
270.01697	3.3
271.02524	40.9
272.03003	4.6
272.05893	0.5
272.08878	2.6
285.04102	8.3
286.04800	3.3
287.05530	1.1
299.02032	60.7
300.02725	24.7
301.03143	2.2
313.03488	0.6
314.04388	56.0
315.05154	100.0
316.05518	9.7
316.09207	0.3
326.23441	0.3
339.04886	0.4
357.06100	0.8
391.19037	0.6
443.97955	0.4
459.09244	0.4
502.22708	0.7
519.11554	69.6
520.11969	10.7
520.23401	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	518.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97673	0.1
59.01259	0.5
59.61261	0.1
61.98712	0.2
63.53730	0.1
71.29080	0.3
78.95793	43.2
96.96864	6.2
107.62596	0.1
114.68073	0.1
130.17371	0.1
133.02850	0.4
135.04465	0.4
140.28621	0.1
150.97942	1.9
152.99524	100.0
153.99855	1.9
161.35445	0.1
165.16478	0.1
171.00594	3.8
179.03416	0.3
180.03783	0.2
243.02934	0.2
255.02988	0.2
271.02545	0.7
272.02982	0.2
277.21774	0.9
278.22211	0.3
299.02060	0.7
300.02454	0.8
301.02914	0.2
310.05872	0.1
431.22101	25.1
432.22473	3.3
518.25342	5.4
519.26306	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.4
60.60836	0.1
62.96309	0.2
69.52303	0.5
69.52732	0.4
72.19225	0.1
78.95798	45.5
81.02744	0.1
87.00785	0.2
96.96868	6.1
99.92477	0.2
150.97957	1.6
152.99536	100.0
153.99875	2.1
167.59279	0.1
171.00610	4.2
191.05588	0.2
239.82309	0.1
277.21838	0.8
302.64267	0.1
431.22125	24.6
432.22488	3.3
518.16956	0.4
518.25372	5.5
519.18494	0.2
519.26245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
59.01268	100.0
60.01595	1.1
61.98728	1.3
67.01799	0.3
69.03333	0.3
70.70893	0.6
70.71272	0.5
71.01271	5.8
72.99205	0.4
73.02843	1.2
75.00752	0.4
78.95816	0.6
81.64499	0.2
83.01291	0.4
83.04935	0.2
85.02847	3.4
86.53679	0.2
87.00795	1.4
87.04437	0.7
89.02343	2.4
90.81854	0.3
93.03370	2.8
95.01314	0.6
96.95928	0.9
99.00795	1.0
100.28232	0.2
101.02351	2.9
102.01914	0.4
108.02095	2.8
109.02867	0.5
111.00824	0.3
111.04453	0.5
113.02365	3.4
117.01837	0.2
119.03457	0.7
119.04954	0.9
121.02893	0.6
125.02368	0.4
129.01822	0.2
131.03429	0.5
133.02898	0.4
135.04459	1.5
137.02420	0.4
143.03558	0.5
145.02885	0.4
149.04512	0.4
149.06001	0.2
151.03972	0.3
152.01106	4.7
153.05540	0.3
155.03477	0.4
161.02374	0.5
161.04510	1.7
161.05783	0.3
163.03975	1.2
173.04535	2.4
177.01959	0.2
179.03540	0.6
191.05592	10.3
192.05998	0.9
203.05661	0.3
249.06256	0.4
267.07294	1.1
281.08981	0.3
295.12082	0.3
299.09363	0.3
325.07239	0.4
353.09109	0.6
355.10556	0.7
397.22565	0.5
413.22281	0.5
415.23343	1.4
429.10565	0.5
431.16519	0.3
457.24960	1.4
517.14709	3.6
517.27106	0.8
518.16357	0.4
518.26514	1.0
543.74670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31250	0.2
59.01268	100.0
60.01609	1.1
61.98717	0.2
71.61510	0.3
73.23255	0.1
75.83593	0.2
78.95822	0.2
115.91991	1.9
147.67859	0.2
155.10054	0.2
169.31242	0.2
202.02005	0.2
233.25688	0.2
419.28232	0.3
528.54474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.4
57.03342	1.7
58.00480	3.9
59.01266	84.3
60.01598	1.3
67.01788	0.7
68.99715	0.7
69.03348	6.2
70.47978	1.3
71.01271	94.0
71.04910	0.6
72.01617	1.1
72.99199	4.4
73.02837	12.7
75.00761	3.0
81.03349	3.4
83.01278	5.8
83.04935	0.5
84.69997	0.3
85.02843	13.4
86.03183	0.5
87.00775	3.5
87.04429	0.3
89.02339	100.0
90.02686	1.3
93.03360	7.0
93.03921	0.5
94.03695	0.3
95.01285	3.3
96.95911	0.7
97.02854	10.8
98.03143	0.4
99.00784	20.1
99.04425	2.8
100.01134	0.6
101.02350	23.0
102.02718	0.5
106.16518	0.3
108.88294	0.3
109.02848	0.8
111.00808	2.4
113.02359	17.5
114.02689	0.9
115.03207	0.6
115.03938	7.3
116.92768	0.7
117.03387	6.4
118.51134	0.3
119.03445	3.4
119.04942	4.1
121.02829	0.5
123.00877	0.4
125.02374	41.7
126.02704	1.4
127.03945	1.3
129.01866	0.4
131.03435	15.6
133.02927	0.8
135.04451	1.0
143.03436	4.6
143.04962	3.8
144.03926	0.4
145.02893	23.4
147.04469	0.7
149.04501	25.8
150.04843	0.6
155.03438	0.4
159.02911	1.1
159.04472	1.3
161.02409	0.8
161.04512	10.8
161.05885	0.5
163.03978	3.2
169.06532	0.5
173.04543	2.4
173.05771	0.4
175.03896	0.5
179.03464	0.8
179.05602	0.4
179.96906	0.3
181.51001	0.3
187.03986	5.2
188.05643	1.3
191.05585	13.1
192.06000	0.6
195.06517	0.6
195.08138	0.7
205.05151	0.7
208.07613	0.4
211.07565	0.5
213.05617	0.8
215.05663	0.7
223.06380	12.4
224.06857	0.5
225.09140	0.5
227.07082	2.2
233.06682	39.8
234.07063	1.7
239.07195	0.4
247.06102	0.5
251.07216	0.8
253.08800	0.5
267.06677	6.6
268.07037	0.6
281.08243	3.8
293.08856	82.4
294.09238	5.3
305.08228	1.2
323.09302	1.5
355.25211	2.0
356.25266	1.0
458.20450	0.5
459.20337	1.4
477.21121	0.8
500.39648	0.4
517.30286	3.2
518.16162	4.9
518.30304	3.4
519.22620	16.4
519.31165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21333	0.3
56.70400	0.3
57.03336	0.5
58.00492	0.3
59.01265	100.0
60.01604	1.0
69.03333	0.4
71.01272	7.4
71.18742	0.7
73.02838	10.6
78.95799	0.4
83.01279	3.0
85.02837	1.6
87.00761	0.7
89.02334	3.4
93.03358	0.3
95.01309	0.6
95.04954	0.3
96.95910	4.6
96.96877	0.3
97.02845	0.3
98.95520	0.6
99.04441	0.5
99.92493	0.6
101.02348	13.3
102.02678	0.3
104.23727	0.2
109.02853	0.3
111.00790	0.4
113.02357	5.5
115.91992	1.5
116.92762	4.7
116.93508	0.3
119.03416	2.2
119.05009	0.3
124.90940	0.3
125.02366	0.9
131.03392	1.4
133.02899	0.3
135.04474	0.5
143.03429	1.8
145.02817	0.3
147.02995	0.3
149.04492	3.2
155.03528	0.7
159.54446	0.3
161.04498	5.4
173.04541	0.8
179.03488	0.5
179.05649	0.5
191.05579	1.9
193.90892	0.3
203.05664	0.7
221.06651	1.4
222.42282	0.3
230.79945	0.3
238.47871	0.3
267.07269	0.6
279.06793	1.0
291.06537	0.5
303.79355	0.3
307.06339	1.2
308.06509	0.5
322.08453	0.4
337.10925	2.7
338.11658	0.4
397.22534	1.1
413.09027	0.3
415.23703	1.0
457.24570	1.6
458.24826	0.4
517.09778	1.3
517.30591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.8
57.03340	7.2
58.00493	0.7
59.01269	100.0
60.01601	1.1
61.98717	1.2
66.57088	0.3
69.03363	0.8
70.35698	1.2
71.01275	12.3
71.01672	0.6
72.99207	0.8
73.02840	9.8
75.00774	1.1
78.08179	0.4
81.03370	0.4
83.01266	3.7
85.02845	5.8
87.00344	0.4
87.00768	1.7
89.02341	4.9
93.03377	2.0
95.01302	1.0
96.95918	0.6
97.02824	0.4
99.00799	1.3
99.04414	1.7
101.02351	15.9
102.02759	0.4
113.02370	8.1
119.03394	2.2
119.04901	0.6
121.02914	0.4
125.02402	1.0
129.43727	0.4
131.03458	1.1
133.02899	3.6
134.03662	0.8
135.04419	1.8
137.02386	0.4
143.03470	1.6
145.02902	0.8
147.04425	0.3
149.04547	1.5
159.02969	0.4
161.02403	9.1
161.04472	5.2
162.02713	0.4
163.04012	0.7
167.83014	0.4
173.04555	1.6
177.01883	0.4
178.02754	0.6
179.03444	0.9
179.05705	0.6
181.12347	1.0
191.05589	6.9
192.06001	0.9
193.05122	1.0
203.05656	0.4
211.13364	0.7
221.06744	1.1
251.16684	0.9
255.03188	0.4
295.13910	0.6
355.18024	0.7
355.25223	0.7
373.18759	22.1
374.19003	2.6
397.22403	9.4
398.22723	1.6
412.67725	0.3
415.19446	10.9
416.20279	1.4
455.22882	2.3
457.24707	6.1
458.25092	0.9
473.14716	5.4
473.24081	3.2
474.14957	1.0
474.24521	0.5
499.82065	0.4
517.22675	5.3
517.30872	2.5
518.23444	1.3
518.31421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
59.01266	100.0
60.01600	1.2
61.83952	0.2
61.98718	1.6
67.01794	0.4
69.29801	2.1
71.01278	5.3
72.99199	0.8
73.02843	1.2
74.32332	0.2
75.00756	1.2
78.95812	0.4
83.01295	0.3
85.02847	3.4
86.18301	0.2
87.00776	1.9
89.02348	1.5
93.03355	1.6
95.01296	0.6
96.95903	0.6
97.02840	0.4
99.00803	1.1
101.02338	1.9
103.00300	0.3
104.13151	0.2
108.02102	0.8
109.02901	0.3
111.04456	0.3
113.02357	4.2
116.92748	1.3
117.01913	0.4
117.03422	0.5
119.03472	0.3
119.04948	1.2
121.02880	0.9
123.00775	0.3
125.02403	0.3
129.01837	0.4
135.04439	2.2
137.02408	0.7
143.79874	0.2
145.02922	0.4
152.01151	0.9
155.03511	0.5
161.02391	0.5
161.04541	0.8
161.13304	0.4
163.04022	0.8
173.04520	2.0
174.04982	0.3
179.03531	0.8
180.03807	0.3
181.05090	0.4
191.05591	8.1
191.07327	0.4
192.05952	0.9
193.06151	0.5
223.13422	0.5
249.06187	1.6
267.07230	3.9
268.07739	0.3
283.06299	0.7
305.62555	0.3
311.05807	0.7
355.09534	0.5
371.10086	0.3
397.22504	1.7
415.23669	1.9
429.10437	0.5
457.24612	1.6
473.10806	0.6
499.11929	0.3
516.65125	0.3
517.12671	0.8
517.19360	7.2
518.20099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42868	0.5
59.01265	7.3
61.43495	0.6
61.98730	0.7
62.67427	0.5
69.03336	1.2
69.67615	0.6
71.01284	2.5
73.02860	0.7
74.70432	0.5
75.00795	0.7
78.95789	0.7
85.02863	1.7
93.03350	0.7
99.04404	0.6
101.02370	1.6
111.04430	1.0
111.24580	0.6
113.02369	0.8
117.82218	0.6
127.48045	0.7
129.57970	0.6
132.02084	2.2
133.02884	36.8
134.03120	1.1
135.04451	10.2
137.02325	0.9
149.19873	0.6
161.02390	100.0
162.02740	5.6
163.04010	0.6
171.10210	0.7
173.04492	0.9
179.03468	6.0
179.58266	0.5
191.05605	4.3
197.02235	1.3
201.01979	0.8
203.03471	0.7
229.49121	0.6
229.51237	0.7
270.59686	0.6
319.22836	10.7
320.23285	0.8
326.62195	0.6
339.05011	0.8
418.07220	0.5
516.25934	0.7
517.20703	50.9
517.31989	1.9
518.20844	8.6
535.38794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58213	0.6
55.01771	1.2
57.03332	4.4
59.01268	92.4
60.01620	1.3
67.01774	3.9
67.48781	0.6
68.99716	1.7
69.03365	2.4
69.37836	5.3
71.01271	25.5
71.04922	3.2
72.99209	2.2
73.02832	3.2
75.00783	1.4
81.03379	1.0
83.01295	2.2
83.04936	3.1
85.02849	29.8
87.00780	9.7
88.98715	0.9
89.02336	4.8
91.03932	1.0
91.26014	0.7
93.03397	2.6
95.01292	5.3
97.02888	0.8
97.06534	1.7
99.00801	1.8
99.04420	3.2
101.02357	4.1
101.06034	0.8
103.00317	2.8
103.03954	0.7
109.02886	0.9
109.06535	1.8
110.12178	0.7
111.00825	2.4
111.04422	1.4
111.08102	0.9
112.01605	1.4
113.02364	40.3
114.02716	1.6
115.00339	0.8
116.92767	1.6
117.97272	0.8
119.03383	1.1
119.04955	0.8
121.02866	1.5
121.06503	1.1
123.08119	1.2
127.03943	0.8
129.01910	3.0
131.03413	1.2
134.03650	0.7
135.04506	2.9
136.04790	0.8
137.02354	1.0
139.00343	1.5
143.03485	0.9
155.03447	0.8
157.01405	1.3
161.02426	0.8
161.04561	2.5
161.13303	11.6
162.13739	0.9
173.04576	3.8
179.03482	1.5
179.14398	4.5
187.11295	0.8
189.04080	1.1
191.05592	10.5
191.14365	1.2
192.05928	1.6
205.07178	7.5
209.15500	2.2
235.13455	1.3
249.06137	5.3
253.14494	12.8
253.16855	1.1
253.45227	0.7
263.07776	9.8
263.10437	0.8
264.08347	0.7
267.07211	4.8
270.10007	0.7
281.08844	38.7
282.09283	2.4
331.30615	0.7
353.09122	1.0
355.09531	0.9
374.00781	0.7
392.87808	0.7
415.23618	1.2
457.24573	2.1
458.24738	0.8
485.20633	2.0
487.23361	1.1
499.19421	1.0
512.49982	0.7
517.23260	100.0
518.23627	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	517.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.9
57.03334	2.6
59.01266	30.4
61.98689	0.6
67.01759	1.9
68.99688	1.3
69.03330	2.0
71.01273	18.6
71.59295	0.6
72.99194	1.2
73.02832	2.3
75.00748	1.4
82.09563	0.5
83.01260	2.3
83.04918	1.7
85.02846	17.1
85.99999	1.0
86.62760	0.6
87.00772	6.8
89.02330	3.6
91.03909	1.2
93.03355	1.7
95.01291	3.6
95.04913	1.1
96.95904	0.4
97.02848	0.6
97.06491	3.1
99.00784	1.3
99.04400	0.7
100.01589	0.7
101.02337	4.3
101.16409	0.5
103.00266	1.0
107.04926	1.6
109.06487	0.9
111.00795	3.5
111.04421	0.6
111.08079	1.2
113.02362	20.5
114.02691	0.9
115.00277	1.1
117.03347	0.6
119.03429	1.0
119.04945	0.8
120.05670	0.8
121.02854	0.9
123.08076	1.8
124.08608	0.4
127.03953	0.6
129.01869	2.4
131.03481	0.6
134.03659	1.2
135.04475	0.9
135.08038	0.6
137.02412	0.5
139.00337	1.5
143.03426	0.8
145.02927	1.0
157.01347	2.5
161.04568	0.9
161.09613	0.6
163.11192	0.5
173.04480	2.0
173.13292	1.6
175.03946	0.9
180.50398	0.5
183.01173	1.2
189.04057	1.2
189.12738	0.6
191.05598	2.5
191.14381	18.5
192.14653	1.4
193.04977	0.6
205.07176	2.4
209.15469	67.6
210.15807	5.7
217.12326	3.3
235.13400	7.3
241.08980	0.5
249.06097	3.1
253.14496	12.9
254.14738	0.8
263.07767	7.6
264.08078	0.6
281.08847	11.8
282.09268	1.0
314.48724	0.5
327.18207	8.6
328.18488	0.6
332.71826	0.5
356.19815	0.5
397.22037	0.7
401.08829	0.6
415.23224	1.5
441.21350	4.7
451.83685	0.5
457.24484	1.8
473.23785	1.0
485.20435	11.1
486.20782	0.9
491.78644	0.5
499.21811	2.1
499.28439	0.5
517.23047	100.0
517.30286	10.5
518.23322	15.1
518.30206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.8
57.03337	4.4
59.01268	24.8
67.01773	3.5
68.99708	2.5
69.03349	2.7
70.97164	1.7
71.01271	21.5
71.04911	3.4
72.99200	0.8
73.02853	1.3
78.95793	1.3
81.03358	1.1
81.80972	0.6
83.01274	2.2
83.04922	2.7
85.02847	28.9
85.99997	0.8
87.00777	9.6
89.02347	2.0
91.03918	2.0
91.05432	5.0
93.03356	1.5
95.01290	5.1
96.96874	1.4
97.02847	1.4
99.00815	1.0
99.04433	2.2
101.02352	1.4
101.05981	5.9
103.00288	2.5
104.51519	0.6
109.06506	1.5
111.00819	4.3
111.08034	0.6
112.01604	1.4
113.02363	37.9
114.02676	1.7
127.03935	0.9
129.01871	3.8
130.68549	0.5
135.04376	0.8
139.00320	2.4
149.13292	1.3
157.01355	1.2
159.11702	1.3
161.13315	17.4
162.13693	1.8
173.04485	1.1
179.03426	1.0
179.14362	6.0
187.11171	1.0
191.05617	2.2
191.14397	3.1
205.07185	8.6
209.15459	3.8
217.12347	1.1
231.05112	0.8
235.13440	1.3
249.06308	3.2
253.14485	14.4
254.14932	1.0
263.07785	12.3
264.08130	0.9
281.08859	32.5
282.09167	2.5
354.09253	0.8
391.57330	0.6
470.34854	0.6
485.20575	1.7
517.23047	100.0
518.23383	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	517.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58213	0.6
55.01771	1.2
57.03332	4.4
59.01268	92.4
60.01620	1.3
67.01774	3.9
67.48781	0.6
68.99716	1.7
69.03365	2.4
69.37836	5.3
71.01271	25.5
71.04922	3.2
72.99209	2.2
73.02832	3.2
75.00783	1.4
81.03379	1.0
83.01295	2.2
83.04936	3.1
85.02849	29.8
87.00780	9.7
88.98715	0.9
89.02336	4.8
91.03932	1.0
91.26014	0.7
93.03397	2.6
95.01292	5.3
97.02888	0.8
97.06534	1.7
99.00801	1.8
99.04420	3.2
101.02357	4.1
101.06034	0.8
103.00317	2.8
103.03954	0.7
109.02886	0.9
109.06535	1.8
110.12178	0.7
111.00825	2.4
111.04422	1.4
111.08102	0.9
112.01605	1.4
113.02364	40.3
114.02716	1.6
115.00339	0.8
116.92767	1.6
117.97272	0.8
119.03383	1.1
119.04955	0.8
121.02866	1.5
121.06503	1.1
123.08119	1.2
127.03943	0.8
129.01910	3.0
131.03413	1.2
134.03650	0.7
135.04506	2.9
136.04790	0.8
137.02354	1.0
139.00343	1.5
143.03485	0.9
155.03447	0.8
157.01405	1.3
161.02426	0.8
161.04561	2.5
161.13303	11.6
162.13739	0.9
173.04576	3.8
179.03482	1.5
179.14398	4.5
187.11295	0.8
189.04080	1.1
191.05592	10.5
191.14365	1.2
192.05928	1.6
205.07178	7.5
209.15500	2.2
235.13455	1.3
249.06137	5.3
253.14494	12.8
253.16855	1.1
253.45227	0.7
263.07776	9.8
263.10437	0.8
264.08347	0.7
267.07211	4.8
270.10007	0.7
281.08844	38.7
282.09283	2.4
331.30615	0.7
353.09122	1.0
355.09531	0.9
374.00781	0.7
392.87808	0.7
415.23618	1.2
457.24573	2.1
458.24738	0.8
485.20633	2.0
487.23361	1.1
499.19421	1.0
512.49982	0.7
517.23260	100.0
518.23627	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	517.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02264	0.5
54.07204	0.5
55.01770	2.3
59.01262	5.2
61.98720	15.4
67.01797	0.9
69.03345	100.0
70.03686	2.4
71.01271	1.5
71.60760	0.7
72.99207	1.9
79.01799	1.5
85.02851	1.8
91.67246	0.5
93.03375	0.7
95.01286	2.6
97.02857	23.3
98.03197	1.0
99.00784	27.3
99.04437	1.4
113.02341	0.8
119.04956	1.9
121.02852	0.6
123.00821	1.4
141.01865	7.2
158.17220	0.6
161.02437	0.9
163.03969	1.8
185.00893	84.6
186.01253	3.8
189.12758	0.7
191.05595	1.4
201.14661	0.5
203.01958	4.2
213.05574	0.6
241.05074	4.2
256.07422	2.7
271.09818	9.6
272.10181	1.1
313.18176	2.4
323.75458	0.6
331.19125	2.9
355.11877	1.2
428.80698	0.6
473.73514	0.5
495.18384	0.6
517.20874	31.6
518.21179	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	517.2084
Annotation	NPC
Peak:m/z	Relative Intensity
57.83462	0.1
59.01266	3.2
61.98703	0.1
65.38179	0.1
70.94794	0.2
71.01272	0.9
72.99208	0.1
73.02847	0.6
77.03863	0.1
81.03337	0.1
83.01279	0.2
83.04928	0.1
85.02847	0.6
87.00780	0.2
89.02351	0.2
89.03863	0.1
93.03337	0.1
95.01302	0.1
95.04929	0.1
97.71091	0.0
99.00784	0.2
101.02328	0.6
104.02593	0.1
105.03364	0.5
107.04958	0.1
109.02866	0.2
110.23679	0.1
111.00754	0.1
111.04455	0.1
113.02389	0.4
115.01823	0.2
117.03400	0.6
121.02895	0.2
123.04446	0.2
125.02407	0.1
129.01869	0.1
132.02098	1.7
133.02882	33.8
134.03281	1.1
135.04449	8.6
136.03874	0.1
136.04761	0.5
137.02376	0.8
139.03918	0.2
150.03191	0.1
151.11206	0.4
159.04424	0.3
160.01588	0.2
161.02394	100.0
162.02733	5.1
162.04173	0.1
163.03970	0.2
173.06027	0.1
175.04019	0.1
178.02675	0.3
179.03470	5.4
180.03822	0.3
189.05348	0.1
191.05634	0.3
201.02005	0.1
203.03529	0.4
204.04013	0.1
247.06107	0.1
321.06296	0.1
353.08838	0.1
365.09033	0.1
381.08453	0.2
457.18756	0.1
469.20044	0.1
475.19968	0.3
517.20868	52.6
518.21216	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	517.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	0.1
59.01267	3.5
61.98730	0.2
65.00219	0.1
68.96208	0.1
69.03363	0.1
69.28761	0.8
71.01271	1.1
73.02840	0.6
75.00762	0.1
77.03877	0.2
77.94233	0.1
83.01281	0.2
84.60033	0.1
85.02835	0.6
87.00809	0.1
89.02344	0.3
89.03859	0.2
93.03353	0.3
95.01322	0.1
96.95871	0.1
99.00758	0.1
101.02342	0.7
104.02618	0.1
105.03366	0.4
108.32610	0.1
109.02830	0.1
113.02378	0.4
115.01826	0.2
117.03371	0.6
119.03434	0.1
121.02897	0.2
123.04470	0.3
132.02104	2.2
133.02885	37.4
133.60487	0.1
134.03268	1.3
135.04453	8.9
136.04736	0.5
137.02388	0.6
139.03944	0.3
149.02434	0.1
150.03200	0.2
159.04463	0.3
160.01636	0.2
161.02394	100.0
162.02728	4.8
163.04025	0.1
173.02469	0.1
173.04553	0.2
173.06058	0.1
175.04015	0.2
177.05399	0.1
178.02719	0.2
179.03467	5.2
180.03842	0.3
187.05629	0.1
191.05614	0.4
201.01932	0.2
203.03531	0.4
217.00638	0.1
233.86258	0.1
243.06697	0.1
251.34500	0.1
268.00128	0.1
310.94455	0.1
339.05118	0.1
353.08600	0.1
354.09296	0.1
381.08173	0.1
475.19846	0.3
517.20874	56.5
518.21234	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	517.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.3
55.02713	0.2
57.03336	0.8
59.01267	100.0
59.86155	0.2
60.01603	1.0
61.98714	1.7
67.01797	0.4
69.03345	0.5
70.96505	0.5
70.96857	0.3
71.01276	8.6
72.99204	1.7
73.02851	1.3
75.00767	3.7
80.38161	0.2
81.03352	0.4
81.06981	0.3
82.09344	0.2
83.01307	0.5
83.04931	0.4
85.02845	7.6
87.00775	2.8
89.02350	2.8
89.10278	0.2
92.94584	0.2
93.03374	2.0
95.01280	1.6
96.95895	0.4
99.00773	2.3
99.04418	0.5
101.02356	2.1
103.00264	0.5
108.02061	0.4
109.02821	0.4
109.06516	1.3
111.00797	0.4
111.04433	0.8
112.01580	0.3
113.02361	9.8
115.00309	0.3
117.01868	0.6
119.04948	0.6
121.02839	0.7
121.06548	0.2
125.02377	0.4
125.06014	0.3
127.03952	0.5
129.01836	0.6
131.03477	0.4
133.02861	0.2
134.03639	0.4
135.04462	1.7
136.04782	0.4
137.02362	0.5
143.03429	0.3
145.02866	0.4
148.03931	0.3
149.04478	0.7
151.03949	0.3
152.01073	0.5
155.03403	0.3
161.02422	0.4
161.04503	0.5
161.13297	0.9
163.03998	0.4
173.04529	2.3
175.02391	0.9
179.03429	0.7
179.14265	0.5
180.03825	0.4
191.05594	8.1
192.05885	0.8
193.06120	0.5
205.07115	0.7
205.12265	0.8
207.05022	0.3
223.13466	1.1
231.05064	0.6
249.06209	4.4
250.06339	0.4
251.16505	0.3
253.14481	0.3
255.10272	0.4
263.07458	0.3
264.75195	0.2
267.07285	15.7
268.07614	0.6
281.08823	1.1
337.08960	0.3
354.09067	0.3
355.09225	0.8
383.96295	0.2
397.22079	0.7
400.73120	0.2
415.23376	0.7
455.19376	2.0
456.19525	0.3
457.24503	1.2
473.14047	0.4
473.20313	5.1
474.20392	0.7
499.18277	1.0
517.19128	15.7
518.19519	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03323	1.6
59.01266	100.0
60.01604	1.2
61.98717	1.6
67.01787	0.8
68.99718	0.6
69.03349	1.3
71.01273	13.6
71.60088	0.4
72.99204	2.6
73.02497	0.3
73.02841	1.9
73.42806	0.3
75.00765	8.5
75.01198	0.4
78.81603	0.3
81.06998	0.6
83.01299	0.7
83.04934	0.9
85.02847	14.9
87.00772	5.7
89.02338	5.1
91.03917	0.7
93.03362	2.4
95.01266	3.3
95.04941	0.5
96.95913	0.4
97.06487	0.7
99.00784	5.7
99.04411	0.6
101.02349	3.0
103.00285	1.7
109.02867	0.6
109.06513	4.8
111.00778	0.6
111.04430	0.6
112.01585	0.4
113.02360	20.3
114.02701	0.6
115.00296	1.5
115.37811	0.3
116.92776	0.5
117.01847	1.9
119.03386	0.5
119.04948	0.6
121.02859	0.9
123.08099	0.5
125.02400	0.5
125.06021	0.8
129.01880	1.8
131.03421	1.2
133.02882	0.3
135.04469	2.1
137.02405	0.7
141.05479	0.5
145.02847	0.6
149.04494	0.9
155.03500	0.4
157.01395	0.4
161.02338	0.3
161.04510	0.7
161.13341	1.7
162.58368	0.3
163.03949	0.6
173.04549	2.6
174.04836	0.4
175.02477	1.3
179.03409	1.1
179.14319	1.0
180.03746	0.3
181.05142	0.3
189.04016	0.5
191.05588	8.7
192.05905	0.8
193.06189	0.4
205.07092	1.9
205.12338	1.8
207.05087	1.1
223.08234	0.5
223.13356	2.0
231.05162	1.0
249.06194	10.6
250.06609	0.7
255.10486	0.5
267.07275	32.7
268.07602	1.7
281.08752	1.4
355.09613	0.5
391.12650	0.4
397.15189	0.3
397.22177	0.8
415.23245	1.2
455.19238	5.7
456.19415	0.8
457.24362	1.5
473.20358	15.6
474.20605	2.1
499.18359	1.9
517.19257	25.5
518.12866	0.5
518.19690	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	517.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.3
57.03338	4.5
58.00498	0.9
59.01268	69.2
60.01562	1.1
61.78788	0.7
68.99716	1.4
69.03329	2.2
69.46015	5.0
69.46433	1.3
71.01276	23.3
71.04909	2.9
72.99210	4.5
73.02847	1.7
75.00771	12.4
78.95790	2.5
81.03341	0.8
83.01276	1.7
83.04900	5.5
85.02846	27.0
86.03181	1.1
87.00781	10.4
89.02343	5.7
91.03928	1.1
93.03405	1.5
95.01288	6.5
95.47610	0.7
96.96853	2.4
97.02853	1.3
98.95501	0.8
99.00787	8.2
99.04409	2.0
101.02348	2.8
103.00288	2.5
111.00795	2.3
112.01601	1.0
113.02364	37.4
114.02666	1.0
115.00242	2.0
116.92837	1.9
117.01878	2.7
119.04954	0.9
123.99423	0.7
129.01845	2.5
139.00278	1.0
145.02879	1.1
147.48450	0.8
149.04431	1.1
157.01326	1.3
161.09616	1.2
161.13329	10.2
163.11229	9.3
164.11469	0.9
169.60519	0.7
173.04471	2.1
175.02414	2.5
179.14342	1.6
187.11266	0.8
189.09157	1.4
191.05608	4.9
197.08206	0.9
205.07133	3.2
205.12296	2.1
207.05060	0.9
207.10255	3.0
223.13638	0.9
231.05096	1.3
233.09514	1.0
235.13377	1.0
249.03822	1.3
249.06200	14.6
253.14520	4.0
263.07761	3.4
267.07288	32.8
268.07587	1.3
281.08884	9.0
341.16003	2.2
397.22488	0.9
455.19171	2.8
457.17395	8.4
457.23682	1.0
458.17480	1.5
464.73648	0.8
486.73187	2.3
499.18188	2.0
517.18848	100.0
518.19183	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	517.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00484	1.1
59.01265	100.0
60.01616	0.7
65.94940	0.6
69.03342	3.6
71.01272	41.5
72.01588	0.7
72.99206	2.4
73.02838	5.8
75.60222	0.6
76.28806	0.6
81.03365	2.3
83.01286	3.5
85.02844	7.6
87.00787	2.7
88.98716	1.1
89.02338	38.9
90.02681	0.9
93.03389	1.4
95.01276	1.8
96.95898	8.1
96.96876	1.1
97.02868	3.7
98.95505	8.1
98.96179	0.9
98.96371	0.9
99.00805	2.3
99.92477	4.7
100.93278	0.8
101.02345	12.5
103.03934	0.9
111.00809	0.7
113.02351	8.9
115.91982	9.1
116.92772	39.1
117.92823	2.0
119.03432	2.9
119.05006	0.6
125.02373	15.7
125.03249	1.0
127.04043	0.7
131.03424	10.3
133.02875	0.8
135.04474	5.2
135.30513	0.6
139.03957	0.8
143.03481	1.9
148.05232	19.9
149.04492	13.6
149.05533	1.1
160.01617	0.8
161.02432	2.1
161.04536	1.7
163.06223	1.0
163.07590	8.9
164.07942	0.7
167.03464	0.8
173.04533	1.6
179.03485	3.6
180.03767	0.6
191.05608	9.2
192.05925	0.9
229.65793	0.7
233.06755	2.1
293.08853	26.9
293.12079	1.4
294.09341	2.0
307.10599	1.0
367.92868	0.8
397.22632	2.1
398.22653	0.6
405.11752	0.6
413.09393	1.9
415.23779	1.5
431.10730	1.0
455.10114	0.9
457.24573	1.6
473.11429	1.4
517.10138	10.2
517.30719	1.0
518.10962	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	517.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26360	0.2
52.84888	0.2
54.19413	0.3
55.01778	0.5
55.11511	0.2
57.03339	1.1
58.00491	0.4
59.01266	100.0
60.01599	1.0
60.62597	0.2
61.98719	2.6
69.03345	0.6
71.01271	8.9
71.19989	0.6
72.99208	0.6
73.02837	3.6
75.00769	0.7
78.95779	0.4
83.01279	1.5
85.02847	4.0
87.00788	1.1
89.02350	6.0
93.03353	1.2
95.01289	0.8
96.95919	3.1
96.96851	0.5
97.02898	0.4
98.95524	0.5
99.00785	1.0
99.04429	1.0
99.92492	0.4
101.02349	8.0
109.02868	0.5
111.04434	0.4
113.02358	5.6
114.33702	0.3
115.92011	1.0
116.92774	3.3
117.03410	0.3
119.03403	2.6
121.02863	0.5
122.88127	0.3
123.04478	0.4
125.02351	0.6
131.03461	0.6
133.02885	2.1
134.03670	0.4
135.04468	4.4
136.04817	0.7
137.02399	0.7
143.03436	1.1
145.02908	0.8
147.04425	0.3
149.02452	0.4
149.04503	1.2
150.03159	0.3
150.45927	0.2
160.01576	0.3
161.02393	6.1
161.04443	2.7
162.02892	0.6
163.03987	0.5
169.94470	0.3
173.04506	1.7
174.03221	0.4
174.04863	0.4
175.04019	0.9
176.04698	0.5
176.52046	0.3
177.01909	0.4
177.05548	0.7
179.03458	2.9
179.05559	0.9
180.03796	1.1
181.04021	0.7
185.11800	6.9
186.10391	0.3
190.06229	0.4
191.05579	7.3
192.05914	1.5
193.06207	1.6
195.08167	0.4
206.07373	0.4
207.08170	0.8
219.06721	0.6
221.06496	0.8
222.05222	0.3
223.07625	1.0
233.06114	0.5
234.06903	0.5
235.04089	0.4
235.07666	2.7
237.05513	0.4
249.05551	0.6
250.06348	0.6
251.07109	2.2
261.05515	0.4
262.06375	0.5
263.07181	1.5
264.07819	0.4
266.06061	0.4
266.09424	1.0
267.07217	2.7
268.07626	0.3
277.05240	0.4
278.05875	1.0
279.06686	17.0
280.07053	1.8
289.05450	0.3
290.05945	0.7
291.06708	7.9
292.07288	2.8
293.04712	0.3
293.08258	0.9
294.08960	2.9
295.09448	0.4
305.08267	0.9
306.09009	6.7
307.06207	24.1
307.09512	1.3
308.06653	2.6
309.07953	0.4
321.04160	0.5
321.07687	2.8
322.04861	0.4
322.08499	10.3
323.08859	1.2
332.87338	0.3
337.10889	44.8
338.07837	0.4
338.11282	5.5
339.18219	0.7
353.09583	1.3
354.09113	1.8
355.08881	2.4
397.22369	2.9
398.22818	0.4
415.23495	3.0
439.14063	0.5
457.24606	4.1
458.24817	0.5
487.16397	0.4
499.16022	0.9
517.10278	0.6
517.17120	2.2
517.29889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1364
Annotation	CHEBI:66280
Peak:m/z	Relative Intensity
55.01781	0.3
55.80368	0.2
57.03337	1.5
58.00489	0.4
59.01266	47.3
60.01582	0.4
71.01269	4.5
73.02834	4.5
82.28769	0.2
83.01282	0.9
85.02842	1.7
85.12244	0.2
87.00775	0.4
89.02355	1.2
89.03860	0.3
95.01302	0.5
99.00763	0.5
99.04436	0.4
101.02342	6.2
103.13241	0.3
105.03355	0.6
113.02365	2.9
117.03380	0.7
119.03434	0.8
125.02386	0.4
131.03467	0.3
132.02087	1.9
133.02885	36.3
134.03333	1.2
135.04451	9.1
136.04764	0.7
137.02374	0.8
139.03857	0.3
143.03435	0.6
149.04530	0.6
151.18967	0.3
159.04446	0.6
161.02393	100.0
161.04568	2.5
162.02737	5.6
173.04564	0.3
179.03473	4.7
180.03845	0.3
191.05580	0.8
203.03458	0.5
221.06728	0.4
230.63460	0.4
308.07294	0.3
373.18741	3.7
397.22342	0.9
414.74542	0.3
415.19443	2.1
431.13608	3.3
455.22879	0.6
457.24435	0.5
473.14624	51.7
474.14920	8.1
517.22845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68724	0.4
57.03343	0.6
59.01269	10.5
65.70515	0.4
67.01769	2.0
67.31674	0.4
69.03352	1.4
69.91680	2.2
71.01271	5.5
72.99218	0.9
73.02832	1.6
78.95801	1.3
81.03345	0.6
83.01275	0.8
83.04906	0.9
85.02843	10.5
87.00784	4.1
89.02347	2.2
93.03365	11.5
94.03699	0.8
96.95916	6.7
96.96869	1.4
97.02930	0.4
98.02367	0.6
99.00804	0.5
101.02361	3.0
108.02079	1.7
109.02875	5.0
111.00716	0.5
111.04456	2.4
113.02328	2.2
115.00352	0.9
119.03408	0.8
119.04917	1.5
121.02879	3.4
122.03661	0.6
123.04410	0.6
127.03909	2.7
129.01898	0.9
129.05516	0.6
130.05031	0.5
131.03401	1.3
131.04944	2.1
133.02899	0.5
135.04459	2.0
137.02388	0.9
143.03450	0.7
143.04967	1.2
145.06575	0.6
149.04501	2.1
149.05984	0.6
159.04492	0.5
161.04514	0.5
163.03981	0.8
171.02939	0.7
173.04517	5.8
175.03989	0.5
179.03465	1.1
189.05615	0.8
191.05588	100.0
192.05942	4.9
193.06146	0.5
203.03513	6.1
225.05627	0.6
226.06363	2.1
227.07164	4.2
237.09209	2.0
253.08615	0.6
255.10321	13.3
256.10599	1.6
280.09525	0.6
281.08228	1.0
289.05716	0.6
295.11884	0.7
325.07217	1.3
327.08887	0.7
337.09265	0.8
343.08249	10.1
343.12329	0.6
344.08508	1.1
348.06927	0.5
473.14252	0.6
516.65472	0.9
517.13623	13.3
517.20691	0.8
518.14014	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94469	0.2
57.03333	0.5
59.01263	4.0
60.99169	0.2
67.01778	0.5
69.03343	0.3
69.31478	1.1
69.31898	0.5
71.01266	2.9
72.99204	0.2
73.02837	0.8
81.03371	0.4
83.04906	0.3
85.02849	8.2
86.03157	0.3
87.00780	2.1
88.78908	0.2
89.02343	2.5
93.03359	5.1
94.03693	0.3
95.01312	0.2
96.95913	0.8
97.02827	0.3
99.00777	0.9
99.04419	0.4
101.02345	1.3
108.02069	0.6
109.02872	2.0
111.04446	0.9
113.02334	0.7
115.00330	0.3
119.03439	0.3
119.04950	0.4
121.02852	1.1
125.02348	0.6
127.03952	2.1
129.01852	0.2
131.03416	0.6
131.04962	0.6
134.03676	0.3
135.04446	0.8
137.02367	0.5
143.03421	0.3
143.04953	0.5
145.06552	0.3
149.04541	1.5
152.08441	0.3
153.01997	0.2
153.09082	0.4
155.03461	0.3
161.04495	0.2
163.03958	0.4
171.02950	0.5
173.04501	2.2
178.05571	0.2
179.03455	0.5
191.05589	100.0
192.05927	4.6
197.06187	0.2
199.07697	0.2
203.03487	2.0
204.03658	0.2
205.12350	0.6
207.05061	0.3
209.08080	0.3
225.05608	0.2
226.06349	1.0
227.07130	2.3
233.06750	0.2
237.09225	1.1
253.08855	0.3
255.10316	3.6
256.10660	0.4
281.08423	0.4
289.05643	0.2
293.08841	0.3
307.06250	0.2
325.07260	0.4
327.08875	0.2
337.09320	0.4
340.35757	0.2
343.08304	3.4
344.08615	0.4
359.84210	0.2
374.09885	0.2
473.14688	0.2
517.13684	4.5
517.22699	1.3
518.06445	0.2
518.14154	1.0
518.22504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00084	0.0
55.01768	0.3
57.03340	0.2
57.83365	0.0
58.00476	0.3
59.01263	4.6
66.86112	0.0
69.03346	0.1
71.01269	3.9
71.56996	0.1
71.57352	0.1
72.01626	0.1
72.99197	0.3
73.02836	0.9
75.00768	0.1
78.95798	0.6
81.03365	0.1
83.01281	0.5
85.02847	1.0
87.00764	0.5
87.01196	0.0
89.02335	3.0
90.02702	0.0
91.03903	0.2
95.01279	0.3
96.96867	0.1
97.02869	0.2
99.00794	0.3
99.04419	4.3
100.04761	0.1
101.02347	3.9
102.02683	0.1
103.03917	0.1
112.01564	0.1
113.02350	1.8
114.02702	0.1
115.03933	0.4
119.03414	0.9
123.23470	0.0
125.02341	0.1
127.03959	0.0
131.03423	0.1
133.05008	0.2
133.40302	0.0
135.04402	0.2
137.09673	0.1
143.03441	0.4
145.04958	0.1
149.04553	0.1
152.99515	1.3
157.05011	0.1
161.04500	1.3
161.05830	0.1
172.60818	0.0
173.04494	0.1
179.03459	0.2
179.05550	0.4
187.06087	0.1
191.05573	0.4
219.33420	0.0
235.08273	1.2
253.09322	15.0
254.09645	0.7
261.22388	0.3
277.21957	0.1
279.23337	100.0
280.23679	11.2
293.24872	0.1
353.08960	0.2
355.87991	0.1
433.23950	0.3
515.30237	0.3
516.31158	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.3
59.01265	32.6
59.98401	4.1
61.98721	4.4
69.03348	4.6
71.04904	9.6
71.57794	4.6
74.58079	2.1
77.42925	2.6
78.95786	5.1
83.04919	5.0
85.02845	3.7
94.28647	2.9
96.96886	4.8
97.06525	2.7
99.04417	98.6
100.04762	2.4
101.05988	13.8
111.04430	17.8
111.08102	4.2
115.03929	22.3
115.91973	8.5
121.06504	35.5
125.09674	4.2
133.02858	8.3
134.09712	2.4
135.04427	15.2
149.09628	2.7
152.99480	3.1
161.02373	5.3
167.10696	5.7
170.67923	3.0
173.04506	3.1
179.03511	17.7
179.98213	2.3
191.05492	20.8
203.14467	2.6
233.11382	2.9
255.09891	2.5
270.01825	4.1
271.20627	7.0
273.22415	4.8
289.21683	5.6
299.20099	2.8
313.03555	8.8
314.04297	7.9
315.19580	6.5
317.21326	16.8
318.21283	3.0
337.18057	6.9
339.19452	25.7
353.08920	19.4
355.18997	4.5
355.26257	3.2
361.16043	2.6
371.25967	4.7
383.18225	3.2
399.21478	4.6
415.25040	9.8
417.26428	8.5
421.23676	17.1
433.26022	100.0
434.26230	16.8
437.23935	2.8
439.24573	8.9
439.71411	3.0
455.24243	97.2
456.24380	13.5
473.24091	3.3
499.23233	13.1
515.26184	51.0
516.26306	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	515.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00517	1.8
53.11773	1.8
57.03340	3.1
57.17281	2.1
59.01265	60.9
69.03392	2.6
71.01264	17.2
72.99208	4.0
73.02839	15.2
83.01287	4.1
85.02853	11.9
89.02352	5.6
93.03356	11.5
101.02374	12.2
111.04495	4.2
113.02367	3.0
119.04955	7.5
126.71885	2.0
127.03893	2.4
127.07571	8.1
128.07895	2.8
133.02913	4.4
134.03706	4.5
135.04446	47.9
137.02417	4.0
137.61382	2.2
145.02890	4.2
155.03490	5.3
157.08751	2.9
161.02409	5.6
161.04529	2.5
163.03943	5.0
163.10835	2.3
173.04492	15.8
179.03470	42.8
180.03825	4.3
191.05592	100.0
192.05933	4.4
193.16724	2.4
196.50412	2.5
207.73196	1.9
215.07162	2.6
229.08662	2.1
249.69101	2.2
249.71974	2.3
293.21295	6.9
300.80692	2.2
307.22672	3.0
308.23169	4.9
309.23279	5.0
311.22232	3.6
351.21933	5.2
352.22089	6.9
353.08871	61.4
353.22479	10.6
354.09128	6.4
373.19330	2.1
414.00510	2.4
429.70367	2.5
436.64133	2.3
473.27209	3.4
515.24231	42.9
515.29736	16.1
516.24487	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	515.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	5.5
59.01267	100.0
60.01604	1.3
61.35006	0.3
61.98734	0.5
64.63792	0.4
67.01801	0.4
69.30474	3.8
71.01273	5.3
72.99188	0.7
73.02848	2.0
75.00770	0.5
75.43837	0.3
81.03387	0.5
83.01293	0.8
83.04922	0.5
85.02840	4.1
87.00777	1.7
89.02347	2.6
93.03365	3.5
96.95923	1.5
99.00808	0.9
99.04411	2.7
101.02343	3.8
109.02870	0.7
111.00835	0.6
111.04409	0.8
113.02376	2.3
119.03438	1.1
119.04977	1.3
123.04465	0.4
125.02386	1.1
129.01875	0.4
132.02182	0.5
133.02904	0.8
134.03671	3.7
135.04449	0.9
137.02428	0.6
143.03452	0.8
149.06049	1.6
151.03960	0.6
160.01581	2.3
161.02454	2.1
161.04544	0.5
163.03949	1.0
173.04524	3.4
175.03963	3.2
176.04759	1.1
177.01746	0.3
178.02635	0.6
179.03458	3.7
191.05591	19.0
192.05966	1.3
193.04994	3.4
194.05786	4.0
195.06403	0.5
209.08215	6.9
210.08609	0.5
225.05627	0.5
253.08864	0.5
279.06760	0.7
293.10309	0.5
311.11499	0.9
323.05606	0.6
341.06705	0.4
353.08716	1.1
353.12643	3.8
395.20947	1.3
396.21094	0.5
413.21921	4.6
414.22125	0.9
428.12436	0.9
455.23062	3.7
456.23624	0.5
513.39594	0.4
515.18378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21652	3.8
59.01266	42.1
61.98705	13.0
69.29951	36.7
69.30376	8.2
74.02373	9.5
78.18161	3.6
78.95826	4.2
79.83035	4.0
85.02861	9.3
87.00777	7.1
93.03371	10.6
96.95945	4.6
111.00822	3.9
116.04964	4.2
133.02876	14.9
134.03745	5.5
134.05107	3.7
135.04453	43.0
161.02423	34.2
173.04518	16.4
177.01857	5.3
179.03462	48.7
191.05592	100.0
201.01923	8.2
209.11845	3.9
238.94255	3.5
256.04880	4.4
258.83905	3.8
327.50388	4.3
339.05066	6.2
353.08829	54.2
354.09372	5.8
380.68521	4.6
515.23999	73.9
516.24457	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	515.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.1
57.03336	2.0
59.01268	25.6
61.08425	0.5
61.98724	2.8
67.01770	2.0
68.99706	2.7
69.03339	2.2
69.39340	1.7
69.39766	3.8
71.00897	1.2
71.01276	20.8
72.99207	1.7
73.02845	2.9
75.00774	1.0
80.02570	2.3
81.03347	1.3
83.01282	2.2
85.02847	21.1
85.99985	0.8
86.03194	0.7
86.48199	0.5
87.00771	8.0
89.02360	3.3
91.03891	1.1
93.03360	2.8
95.01287	4.4
95.04926	0.7
96.96779	0.6
98.19704	0.8
98.67116	0.6
99.00773	1.3
99.04429	5.2
100.01537	0.7
101.02374	3.6
103.00280	2.2
107.04951	0.7
109.06519	1.0
111.00811	3.1
111.04453	1.0
112.01592	1.1
113.02363	27.6
114.02674	0.7
115.00284	0.7
119.03425	0.9
119.04967	0.9
120.05731	1.8
121.06513	2.5
127.03957	0.8
129.01878	2.4
131.03456	0.6
134.03676	0.6
134.97003	0.6
135.04469	5.7
139.00296	1.2
145.02888	1.0
151.03935	0.8
157.01358	2.1
163.03885	0.9
163.14859	0.7
171.11739	1.2
173.04483	4.3
179.03477	5.4
180.04262	0.9
189.04030	1.1
189.12816	15.0
191.05606	20.0
192.05942	1.3
203.10747	2.6
204.11113	2.9
205.07199	2.9
206.99869	0.9
207.13908	10.2
231.05135	1.2
233.11911	1.1
249.06218	4.7
251.12947	16.9
252.13278	1.0
257.26730	0.6
263.07779	8.8
264.08246	0.7
264.79401	0.6
281.08871	22.7
281.11975	1.1
282.09161	2.0
283.09470	1.1
325.16605	6.9
326.17392	0.8
353.08850	7.8
354.09158	1.3
395.20837	0.9
439.19870	4.4
440.19870	0.8
471.21393	1.0
481.42538	0.7
483.18918	7.9
484.19186	1.3
497.20508	0.9
515.21478	100.0
516.21814	16.2
516.29401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89051	0.8
55.01763	1.3
57.03342	5.4
58.39993	0.8
59.01268	34.9
61.98723	1.8
67.01777	3.1
69.03329	1.3
71.01273	33.6
71.08584	2.3
72.99205	2.2
73.02841	4.0
75.00764	1.8
76.30322	0.8
80.02576	8.4
83.01292	2.3
84.96030	0.8
85.02849	42.5
86.03159	1.2
87.00777	16.2
89.02335	4.3
93.03379	6.0
95.01299	6.5
97.02840	1.2
97.08788	0.8
99.00769	2.7
99.04424	5.7
101.02354	4.8
103.00295	2.6
111.00810	4.6
111.04420	1.8
112.01588	2.0
113.02364	54.4
114.02690	1.8
115.00320	1.2
116.21572	0.8
119.03410	1.5
119.04931	1.9
121.06548	1.0
127.03912	1.1
129.01863	3.4
131.03401	1.4
133.02931	1.6
135.04453	5.8
137.02304	1.2
139.00304	2.0
139.03871	1.0
145.02902	2.0
151.03886	1.1
155.03436	1.7
157.01405	1.5
159.11746	0.9
161.02383	1.6
161.04547	1.2
163.03972	1.5
169.05161	0.9
173.04500	8.5
174.04916	0.9
179.03470	6.5
185.89178	0.9
187.06070	0.8
189.12836	22.3
190.13191	2.3
191.05603	13.3
192.05901	1.3
205.07175	6.9
207.13921	10.2
215.72258	0.9
233.11920	5.0
249.06189	7.2
251.12962	9.8
263.07703	4.2
267.07330	1.5
281.08853	42.8
282.09177	4.6
325.16617	6.9
335.07700	1.1
353.08926	6.1
439.19739	1.7
455.22998	1.3
483.18802	8.7
484.19092	0.9
497.20364	3.4
515.21515	100.0
515.28192	4.9
516.21759	17.1
542.29114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2146
Annotation	hesperadin
Peak:m/z	Relative Intensity
54.83356	0.5
55.01771	0.9
55.24637	0.4
57.03336	2.8
59.00991	0.8
59.01269	11.1
63.88244	0.5
67.01772	2.1
68.99722	3.3
69.03349	2.6
71.01273	22.5
71.40245	1.1
73.02843	1.2
80.02573	10.0
81.03353	1.0
83.01271	2.5
84.02035	0.5
85.02847	28.3
86.03197	0.7
87.00772	7.6
89.02347	1.7
91.03915	2.4
93.03364	0.8
95.01295	5.1
97.02885	0.6
99.00803	1.4
99.04430	6.9
101.02344	1.3
103.00264	1.7
106.76220	0.5
109.02851	0.7
111.00789	2.7
111.04433	0.7
112.01579	1.2
112.88939	0.5
113.02364	36.1
114.02682	1.1
115.00272	0.6
121.06499	1.7
127.03922	1.2
129.01906	2.3
135.04451	1.9
139.00281	1.5
145.56670	0.6
157.01404	3.2
171.11748	0.5
171.38258	0.4
173.04504	0.5
179.03477	1.3
187.05998	0.6
189.04056	1.6
189.12831	26.5
190.13159	2.6
191.05608	3.8
205.07167	4.1
207.13899	13.1
208.14243	1.2
231.05222	0.7
233.11864	7.2
237.09595	0.6
237.87122	0.5
249.06230	6.4
251.12936	12.9
252.13223	1.1
263.07767	10.6
263.10480	0.9
264.08069	0.5
281.08844	34.2
282.09238	1.7
325.16647	8.6
326.16946	1.1
353.08908	2.8
439.19806	3.8
440.20419	0.7
471.22192	0.8
483.18881	11.2
484.19205	1.5
497.20526	3.5
515.21460	100.0
516.21820	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	515.1207
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
50.01481	0.5
57.03339	2.0
58.21754	0.5
59.01267	69.9
59.05555	0.5
60.99198	0.6
61.98724	1.9
63.42104	0.5
67.01785	3.4
69.03339	1.3
71.01268	10.1
71.04917	1.0
71.58129	1.2
72.99210	2.1
73.02835	6.2
74.24811	0.7
75.00769	2.7
78.95787	1.4
79.95650	0.8
81.03342	1.4
83.01305	1.3
83.04921	1.8
85.02842	9.1
86.03164	0.6
87.00776	4.5
89.02351	2.9
93.03363	22.3
94.03690	0.9
95.01318	0.8
96.95271	1.2
96.95914	25.4
96.96858	1.3
97.02879	0.8
97.31048	0.5
99.00792	1.9
99.04426	0.9
101.02357	5.1
102.98505	1.3
105.03394	0.7
106.04161	0.6
107.04939	1.8
109.02863	2.5
111.00818	1.9
111.03714	1.0
111.04427	9.4
113.02367	4.7
117.03416	1.0
119.03380	0.9
119.04916	1.2
121.02883	1.3
123.08131	0.8
125.02396	0.7
127.03928	2.3
127.07573	0.7
129.01901	0.7
130.02203	0.6
132.02118	1.0
133.02882	14.2
133.03821	1.0
134.03734	5.9
135.04456	89.2
136.04788	5.4
137.02365	7.3
138.02719	1.5
143.03415	1.0
145.02887	1.9
151.04025	0.5
152.99527	0.6
155.03429	12.2
159.04430	0.7
161.02397	35.9
161.04543	2.1
162.02744	3.7
163.03983	2.1
163.90410	0.6
169.02177	0.6
171.03015	0.8
173.04515	86.0
174.03525	0.8
174.04836	3.7
175.03986	0.7
177.01930	2.3
178.02652	2.2
179.03465	92.7
180.03816	6.3
191.05589	99.6
192.05913	5.6
195.06538	3.5
196.07014	0.7
201.01837	0.9
203.03517	1.9
209.08162	0.7
211.07678	1.3
271.02426	0.8
288.09091	0.6
299.02026	0.9
329.17819	0.8
331.18372	2.2
331.69272	0.7
335.07846	11.4
336.06613	0.7
339.05063	1.7
341.10471	1.0
347.18683	2.0
351.08704	3.2
352.22086	1.2
352.58548	0.6
353.08865	100.0
354.09171	10.1
395.20691	1.7
413.22256	0.9
445.21002	0.8
455.22766	0.7
514.11084	0.8
514.27594	1.9
515.12054	40.4
515.28540	4.8
516.12329	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	515.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51302	0.3
59.01266	2.2
67.01792	0.4
69.03316	0.4
69.51630	2.8
71.01277	1.1
73.02814	0.5
83.04926	0.4
85.02843	6.5
87.00774	1.1
93.03360	4.5
107.04923	0.8
109.02869	0.6
111.04421	2.5
113.02358	0.7
127.03963	1.9
133.02885	2.0
134.03645	3.2
135.04451	54.9
136.04773	3.6
137.02393	1.0
155.03493	2.1
161.02385	6.5
162.02737	0.5
171.02921	0.5
173.04518	8.4
174.04895	0.4
179.03462	54.5
180.03749	2.6
191.05586	100.0
192.05936	4.1
216.42874	0.3
335.07889	0.5
353.08850	65.4
354.09186	6.2
515.12042	0.8
544.13409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1207
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
56.25940	0.3
56.46728	0.2
57.03324	0.3
59.01268	3.0
67.01791	0.4
71.01268	1.1
73.02853	0.3
83.04925	0.6
84.80443	0.2
85.02845	5.9
87.00778	1.5
93.03356	4.0
95.41058	0.2
99.04420	0.4
107.04942	1.0
109.02856	0.8
111.04426	2.2
113.02318	0.3
117.03401	0.5
125.68646	0.3
127.03946	2.0
133.02890	1.6
134.03659	3.4
135.04449	54.8
136.04803	2.6
137.02362	0.8
145.02896	0.3
155.03435	1.9
161.02382	5.6
162.02785	0.3
171.03006	0.4
173.04506	8.8
174.04875	0.5
179.03461	52.1
180.03790	2.6
191.05585	100.0
192.05927	4.3
216.68510	0.3
229.46475	0.3
299.05783	0.3
335.07669	0.5
353.08844	71.7
354.09213	7.4
515.11914	0.4
515.21497	0.3
529.28564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.7
64.96810	0.2
65.31065	0.2
67.01776	0.3
71.01282	0.5
73.02834	0.2
83.04901	0.4
83.46944	0.1
85.02842	5.1
87.00756	1.0
93.03352	2.6
99.04428	0.2
104.09033	0.2
107.04972	1.0
109.02856	0.4
111.04427	1.7
117.03377	0.4
127.03921	1.7
133.02849	1.5
134.03665	2.9
135.04443	47.9
136.04779	1.5
137.02338	0.4
155.03444	1.4
161.02383	5.1
162.02736	0.2
171.02971	0.4
173.04495	3.8
179.03452	51.5
180.03793	2.0
191.05574	100.0
192.05933	2.7
228.40150	0.2
274.00323	0.2
279.08466	0.2
335.07785	0.7
338.59598	0.2
353.08829	74.9
354.09137	5.7
434.11523	0.2
440.75381	0.2
449.06467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19234	0.4
51.84964	0.3
52.93678	0.3
57.01921	0.4
57.03339	0.5
59.01260	2.0
67.01767	2.7
69.03367	0.4
71.01276	2.5
78.95798	0.9
81.03331	0.7
83.04910	0.6
85.02850	3.9
86.73129	0.4
87.00772	1.0
93.03355	17.8
96.96861	0.7
107.04931	1.1
109.02841	0.9
111.04427	4.1
127.03947	1.4
133.02869	1.8
134.03645	1.4
135.04445	49.2
136.04782	2.2
137.02383	3.4
151.07532	0.6
155.03439	4.1
161.02386	5.0
167.48027	0.3
173.04504	66.4
174.04863	2.9
179.03450	46.3
180.03812	2.1
191.05577	33.1
192.05978	1.2
195.06612	0.9
203.03447	3.6
211.59413	0.4
255.06874	0.5
299.05597	0.8
317.06738	0.7
335.07849	0.7
353.08826	100.0
354.09177	10.8
515.11981	7.2
516.12207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57997	0.2
59.01263	0.7
60.52674	0.2
60.59786	0.3
63.23173	0.2
67.01782	0.7
69.03374	0.3
69.23061	0.2
69.82123	1.3
69.82535	0.4
70.57109	0.3
71.01264	1.3
73.02834	0.3
81.03343	0.3
83.04927	0.7
85.02841	4.8
87.00806	1.4
91.05450	0.3
93.03360	6.5
94.03671	0.3
96.95905	0.3
99.04452	0.3
107.04955	0.8
109.02863	0.9
111.04440	3.0
117.03388	0.6
127.03931	1.8
133.02898	2.6
134.03682	3.5
135.04457	51.5
136.04770	2.1
137.02382	1.7
145.66121	0.2
155.03447	3.0
161.02396	8.4
162.02760	0.6
171.03011	0.4
173.04521	21.4
174.04854	0.9
179.03462	45.8
180.03813	2.8
182.89124	0.3
191.05588	73.6
192.05920	2.8
195.63010	0.2
203.03459	0.7
206.50797	0.2
335.07779	4.2
336.08228	0.3
347.56616	0.2
353.08844	100.0
354.09180	10.7
515.12067	14.8
516.12323	2.6
520.35144	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	515.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.5
59.01278	1.2
67.01776	1.2
69.03358	0.4
69.72813	2.1
70.92210	0.3
71.01274	1.6
83.04916	0.7
85.02843	7.3
87.00748	1.5
91.05447	0.4
91.97861	0.3
93.03358	8.4
93.03924	0.6
98.19823	0.4
107.04924	1.3
109.02873	1.0
111.04408	3.2
113.02400	0.4
117.03394	0.8
121.72700	0.3
127.03921	2.0
129.01796	0.4
133.02904	2.6
134.03670	4.6
135.04457	66.0
136.04788	3.1
137.02405	2.1
155.03432	2.5
161.02399	8.0
162.02734	0.5
171.02963	0.5
173.04532	22.3
174.04930	0.8
175.79008	0.4
179.03477	55.6
180.03819	2.4
191.05598	100.0
192.05942	4.6
203.03471	0.8
238.39008	0.3
244.51656	0.3
306.25034	0.4
335.07721	1.6
336.08002	0.3
353.08859	65.6
354.09201	6.5
369.25204	0.3
515.12048	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2854
Annotation	Taurocholic acid
Peak:m/z	Relative Intensity
59.01263	2.4
61.98701	0.2
65.48951	0.1
71.01260	0.4
73.02824	0.3
75.00763	0.6
79.95627	7.8
80.96409	2.8
85.02845	0.5
87.00816	0.2
88.58872	0.1
93.03352	0.5
94.97971	0.2
96.95937	0.2
98.20576	0.3
99.04376	0.2
101.02349	0.3
106.97996	4.7
111.04424	0.2
113.02351	0.3
124.00663	9.8
125.41800	0.1
127.03854	0.2
133.02861	0.4
134.03604	0.2
135.04446	3.6
161.02400	0.9
173.04529	1.1
178.02461	0.2
179.03442	3.4
179.04936	0.3
191.05588	6.2
251.16495	0.2
280.36179	0.1
353.08829	4.9
496.27762	0.3
514.28528	100.0
515.28882	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	0.1
59.01268	3.4
60.01593	0.1
61.01701	0.1
61.91845	0.1
61.98719	100.0
62.98417	0.1
67.01775	0.1
69.03345	0.1
70.96329	0.1
70.96645	0.1
71.01276	0.6
72.99223	0.1
73.02847	0.2
81.03334	0.1
83.01302	0.1
83.04935	0.2
85.02855	0.7
87.00782	0.3
89.02364	0.2
93.03372	1.0
93.03912	0.1
94.03695	0.1
96.95923	0.8
96.96851	0.1
99.00772	0.1
101.02363	0.3
105.81516	0.0
109.02859	0.2
111.00832	0.1
111.04436	0.2
113.02345	0.3
114.97472	0.0
119.03405	0.1
119.04971	0.2
123.04374	0.1
127.03976	0.1
131.04977	0.1
133.02908	0.2
134.03656	0.1
135.04448	0.6
137.02350	0.2
143.04951	0.1
145.02919	0.1
147.04515	0.1
149.06026	0.1
153.01999	0.1
155.03459	0.2
161.02460	0.2
161.04521	0.1
163.03949	0.1
171.02971	0.1
173.04526	0.6
178.02666	0.1
179.03491	0.4
191.05589	4.5
192.05998	0.1
193.05162	0.1
223.07686	0.1
226.16466	0.1
229.01563	0.1
233.06117	0.1
235.07698	0.1
237.05650	0.1
237.09378	0.1
238.62401	0.0
249.05997	0.1
250.06514	0.1
251.07176	0.8
253.08806	0.3
261.05557	0.2
265.08530	0.1
267.07367	0.1
278.05969	0.1
279.06619	0.4
295.06381	0.1
297.07684	0.1
319.09802	0.1
323.05676	1.6
337.09570	0.1
339.05148	0.1
340.05508	0.1
353.08835	0.6
395.21002	0.1
406.12729	0.1
409.52859	0.1
413.22052	0.1
428.12524	0.1
436.32996	0.1
438.16821	0.1
452.33279	0.2
453.33603	0.5
454.23999	0.2
454.33838	1.3
455.23361	0.1
455.33881	0.1
471.13254	0.1
514.10889	0.1
514.26477	0.5
514.33142	0.2
515.11633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.4
61.98701	0.2
65.48951	0.1
71.01260	0.4
73.02824	0.3
75.00763	0.6
79.95627	7.8
80.96409	2.8
85.02845	0.5
87.00816	0.2
88.58872	0.1
93.03352	0.5
94.97971	0.2
96.95937	0.2
98.20576	0.3
99.04376	0.2
101.02349	0.3
106.97996	4.7
111.04424	0.2
113.02351	0.3
124.00663	9.8
125.41800	0.1
127.03854	0.2
133.02861	0.4
134.03604	0.2
135.04446	3.6
161.02400	0.9
173.04529	1.1
178.02461	0.2
179.03442	3.4
179.04936	0.3
191.05588	6.2
251.16495	0.2
280.36179	0.1
353.08829	4.9
496.27762	0.3
514.28528	100.0
515.28882	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53584	0.1
55.01775	0.3
57.03342	0.2
58.00249	0.1
58.00496	0.2
59.01263	5.7
60.01606	0.1
60.98786	0.0
63.52393	0.1
63.68916	0.0
69.03354	0.1
70.15556	0.2
70.15974	0.1
71.01268	4.1
72.01625	0.1
72.99192	0.3
73.02835	0.8
78.95815	0.1
81.03368	0.1
83.01289	0.5
83.04922	0.1
85.02845	1.1
85.16026	0.0
87.00771	0.6
89.02338	3.0
91.03935	0.2
92.67406	0.1
93.03352	0.1
95.01292	0.3
97.02869	0.2
98.19860	0.1
99.00782	0.3
99.04432	0.1
101.02345	4.1
102.02679	0.1
103.03919	0.1
111.04440	0.1
112.01537	0.1
113.02357	1.9
113.05991	0.1
115.03920	0.1
119.03419	1.0
125.02378	0.2
127.07600	0.2
128.73895	0.1
131.03415	0.1
133.02899	0.3
133.05003	0.4
135.04503	0.3
143.03400	0.4
149.04552	0.1
152.99519	0.1
157.05025	0.2
161.02376	0.2
161.04503	1.4
173.04497	0.1
177.01865	0.1
179.03474	0.2
179.05571	0.4
187.06270	0.1
191.05579	0.4
205.19609	0.1
217.14839	0.1
233.22867	0.3
234.23282	0.1
235.08250	1.3
253.09323	15.9
254.09650	0.9
259.20724	0.4
275.20065	0.3
277.21774	100.0
278.22110	11.4
339.05157	0.2
513.10339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17022	0.1
55.01762	0.4
57.03341	0.2
58.00473	0.3
59.01263	5.9
60.01604	0.1
61.98687	0.1
63.22564	0.0
69.03347	0.1
71.01266	4.2
71.58199	0.1
72.99188	0.3
73.02831	1.0
78.95793	0.4
81.03370	0.1
83.01275	0.7
83.04926	0.2
85.02843	1.1
85.99942	0.1
87.00764	0.6
87.01215	0.1
89.02336	3.4
91.03942	0.2
95.01279	0.3
97.02825	0.3
97.72835	0.1
99.00806	0.2
99.04415	0.1
101.02346	4.2
102.02704	0.2
103.03929	0.1
111.04449	0.1
113.02356	2.0
115.03938	0.1
116.34495	0.1
119.03410	1.0
125.02409	0.2
127.07574	0.3
131.03447	0.2
133.04962	0.4
141.09143	0.1
143.03441	0.4
145.04984	0.1
149.04529	0.1
152.99516	0.6
157.05003	0.2
161.04501	1.5
179.05565	0.5
182.13068	0.1
233.22786	0.3
235.08232	1.3
253.09323	16.5
253.79323	0.1
254.09691	1.0
259.20706	0.3
275.20135	0.3
276.20541	0.1
277.21768	100.0
278.22113	11.5
350.87338	0.1
429.12457	0.1
431.22260	0.1
472.02963	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	513.2867
Annotation	Biennin C
Peak:m/z	Relative Intensity
52.40348	0.4
57.03336	3.1
59.01252	1.7
61.98714	3.4
71.36069	0.7
78.95803	0.9
80.91583	0.4
81.25062	0.3
89.02335	0.4
93.03373	0.8
99.04430	0.6
105.03307	0.3
111.04382	0.4
114.05503	0.6
133.02875	2.2
135.04497	2.0
135.05315	0.3
153.12442	0.3
161.02380	1.6
173.04485	1.1
177.01833	0.7
179.03441	1.3
191.05620	2.0
215.05591	0.4
333.20776	0.5
339.05219	2.0
351.07248	1.3
352.07843	0.8
367.26608	0.9
368.26645	0.5
397.31470	0.4
407.29871	2.1
415.71033	0.4
423.29071	5.6
424.29358	0.8
425.30728	14.0
426.30969	2.7
431.17908	0.5
467.84500	0.4
469.29691	100.0
470.29996	16.4
513.10577	1.7
513.28717	2.5
514.29633	0.4
531.86090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.272
Annotation	Cussovantoside B
Peak:m/z	Relative Intensity
53.98082	0.4
55.01752	0.8
57.03325	1.4
58.00481	0.7
59.01268	20.7
60.01583	0.5
61.98721	2.6
64.28337	0.5
67.01769	1.2
68.99693	1.3
69.03323	1.1
69.79909	2.7
71.00896	0.8
71.01273	12.3
71.04892	0.6
73.02827	0.9
81.03340	1.1
83.01291	1.1
83.04897	1.2
85.02843	9.5
87.00767	2.5
89.02340	7.6
89.96025	0.5
93.03365	3.0
95.01264	1.6
95.04879	0.8
96.95918	1.0
97.02840	0.6
97.06506	3.2
98.20502	0.8
99.04410	0.7
101.02361	4.1
103.00272	0.7
107.04917	1.1
109.02866	0.5
109.06505	5.7
111.00794	0.8
111.04432	0.9
111.08076	2.3
111.81824	0.5
113.02364	11.8
115.03870	0.5
117.03388	0.7
119.03405	1.8
119.04942	2.9
121.02866	0.5
123.08084	4.0
125.02380	0.5
125.09596	0.5
127.07578	29.2
128.07915	1.2
129.01889	0.7
133.02873	1.8
134.03630	1.3
135.04416	1.3
135.08066	0.5
137.02361	1.4
139.00288	0.8
139.11177	0.4
143.03427	0.5
145.02957	2.7
146.03209	0.8
147.11732	0.5
149.09599	0.6
155.03493	1.3
160.01578	0.5
161.02399	1.1
161.04501	1.5
161.13333	4.6
162.02747	0.5
163.04002	2.3
163.11266	3.5
165.12807	4.4
166.12976	0.5
167.10718	0.4
171.08141	0.5
173.04515	6.2
175.03935	0.6
177.91899	0.4
179.03447	0.7
179.05580	1.6
181.12262	0.7
183.13846	0.6
187.11259	2.1
189.12834	1.6
191.05586	4.5
193.05005	1.2
196.03564	0.5
203.14551	0.7
205.07138	1.4
205.12341	4.5
249.06171	1.4
250.12172	0.5
250.49754	0.4
263.07861	3.9
271.20737	9.4
272.21097	0.9
273.18799	0.4
281.05872	0.8
281.08826	12.9
282.09207	0.6
289.21829	13.8
290.22223	1.6
305.21341	0.5
307.22870	60.4
308.23178	6.9
319.08313	0.6
333.20728	2.8
337.09320	1.4
349.09235	0.7
351.21851	100.0
352.22183	13.5
375.21759	4.2
393.23059	0.7
411.20639	0.9
453.23434	1.3
469.20886	6.8
470.21204	0.9
504.21445	0.7
513.13788	0.6
513.19836	4.4
513.27234	5.0
514.20575	0.7
514.27551	0.8
529.09210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2716
Annotation	Cussovantoside B
Peak:m/z	Relative Intensity
59.01267	13.9
61.98700	0.8
64.49739	0.4
69.03343	0.8
69.43017	4.6
71.01269	6.4
72.99209	0.8
73.02836	1.5
78.95832	0.8
85.02838	3.7
87.00766	1.1
89.02329	4.2
89.70728	0.5
93.03368	0.7
96.95921	1.4
101.02345	3.4
109.06487	1.2
110.98473	0.6
113.02358	2.6
119.03400	1.3
123.08064	1.1
127.07571	33.9
128.07896	1.8
133.02916	2.6
135.04414	1.2
145.02875	1.1
145.10129	0.9
147.08038	0.7
147.11610	0.6
161.02426	1.1
161.04433	0.8
163.11230	12.0
165.12804	1.9
173.04535	1.4
179.03447	1.3
181.12308	0.9
183.13925	0.6
189.12849	0.7
191.05606	2.3
195.06697	0.6
267.37372	0.5
271.20715	11.1
272.21179	1.1
289.21811	8.5
290.22198	0.8
291.19818	0.6
300.99545	0.5
307.22864	51.7
308.23175	5.0
333.20667	1.3
351.21841	100.0
352.22186	10.6
361.49860	0.5
375.21869	2.7
386.26492	0.5
404.54904	0.5
453.25140	0.8
513.27411	7.3
514.28369	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	513.2716
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01770	2.8
58.00483	2.9
59.01266	67.9
60.01603	0.8
61.98718	1.3
68.99708	0.5
69.03346	1.9
70.03539	1.3
71.01273	86.1
72.01604	1.6
72.99199	4.3
73.02838	30.8
74.03191	0.4
75.00763	2.0
81.03355	0.9
83.01286	8.3
83.04913	0.4
85.02846	26.1
86.00001	0.5
86.03192	0.4
86.56531	0.3
87.00777	3.9
89.02342	86.2
90.02676	1.5
93.03363	1.0
95.01287	3.9
97.02852	3.0
97.06503	0.3
99.00786	31.8
99.04433	0.5
100.01156	0.9
101.02351	68.1
102.02689	1.5
109.02888	0.3
111.00804	1.1
113.02360	26.5
114.02681	0.6
115.03928	2.4
115.55798	0.3
117.01862	0.6
119.03418	8.4
119.04800	0.4
120.03815	0.3
125.01447	0.5
125.02377	7.4
127.03930	0.4
129.01863	0.6
131.03436	21.0
132.03827	0.5
133.02815	0.4
135.04445	0.7
143.03448	3.4
149.04509	70.1
150.04860	1.8
159.02972	2.4
160.01704	0.3
161.02492	0.5
161.04526	13.2
162.04860	0.5
163.03989	0.3
173.04552	1.0
179.05658	1.4
179.76437	0.4
191.05598	18.6
192.06010	0.9
205.03526	0.5
209.60168	0.3
216.95808	0.3
221.06700	2.9
233.06682	2.5
234.19119	0.3
251.07764	5.7
275.07632	0.6
293.08878	2.9
323.02563	0.3
354.84827	0.3
371.73633	0.3
381.22906	22.9
382.23233	3.2
460.25824	0.3
513.27155	100.0
514.27533	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	513.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90049	0.4
55.79960	0.3
57.03339	1.1
59.01269	8.7
59.98400	0.6
61.98705	0.4
69.03345	0.4
71.01273	5.0
71.04908	0.3
71.60947	0.3
72.99204	0.4
73.02846	1.8
83.01271	0.8
85.02856	4.3
87.00773	0.6
89.02343	2.7
90.48390	0.3
93.03377	0.7
95.01298	0.6
97.06483	0.4
99.04424	0.6
101.02345	3.0
102.98456	0.4
105.94873	0.3
109.02860	0.5
111.04456	0.4
113.02372	3.0
117.03423	0.6
119.03422	0.7
119.04963	0.7
121.02904	0.4
123.08074	0.9
127.07577	37.4
128.07906	1.6
131.03311	0.3
133.02895	1.2
134.80624	0.4
135.04472	1.3
137.02391	0.5
145.02875	1.7
147.08015	0.5
151.07617	0.4
161.02391	0.8
161.04539	0.4
163.03944	0.4
163.11241	2.8
165.12842	0.6
167.10706	0.5
173.04491	0.7
179.03609	0.8
179.05510	0.6
181.12274	1.1
183.13908	1.1
185.11771	1.0
185.27835	0.3
189.55560	0.3
191.05565	2.3
195.06564	0.4
234.72496	0.4
271.20801	2.6
273.18655	0.4
289.21838	3.9
291.19733	3.1
307.22870	55.6
308.23230	7.1
331.22867	2.3
333.20731	5.7
334.20871	0.4
351.21854	100.0
352.22198	12.9
375.22049	1.7
393.22968	1.9
453.24936	0.9
472.30054	0.4
513.27301	7.2
514.27618	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	513.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	6.5
59.01263	2.3
67.28264	0.8
69.03368	1.2
71.01298	0.8
71.60928	0.8
80.91574	6.0
83.04918	10.0
96.95918	1.3
97.06523	1.5
99.04429	20.3
100.04757	0.8
109.06506	31.7
111.08070	2.9
121.06528	9.7
123.08086	3.1
136.05255	1.0
149.06030	2.3
151.11226	1.3
161.09703	2.8
163.11198	4.1
165.09122	1.9
179.10738	3.3
187.98633	0.9
196.69868	0.8
217.15868	1.0
219.13879	3.6
230.54672	0.8
235.17052	1.5
247.17101	1.5
287.20215	2.4
305.21313	21.0
306.21582	1.5
311.12958	0.9
319.22827	1.4
362.78012	0.8
387.25473	25.2
388.25894	4.5
431.24478	100.0
432.19476	0.6
432.24811	19.4
513.24677	20.6
514.25110	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	513.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	3.9
57.03340	3.1
59.01270	35.2
61.98716	6.8
67.01759	2.8
69.03324	2.4
71.01276	43.0
71.01670	2.2
71.60401	1.4
71.60780	1.1
72.99200	2.7
73.02836	17.7
75.00751	3.0
78.95806	8.0
81.03342	1.5
83.01283	8.0
83.04923	2.1
85.02852	23.7
86.03214	1.4
87.00775	7.7
87.04397	1.6
89.02356	10.7
93.03358	13.6
95.01324	2.0
96.95920	10.1
96.96888	2.9
97.02843	1.9
99.00788	8.9
101.02353	35.8
109.02859	3.2
111.00782	4.3
111.04420	3.0
113.02366	16.1
114.56767	0.9
117.03393	1.3
119.03413	3.0
119.04929	6.8
121.02862	1.1
125.02368	1.4
125.03579	1.2
127.03895	1.0
129.01825	2.5
131.03448	1.4
133.02888	9.6
134.03667	2.3
135.04466	8.4
137.02312	2.2
143.03429	2.1
143.04907	1.4
145.02878	1.9
146.03235	1.2
155.03407	2.7
159.02916	3.4
159.04332	1.1
161.02437	7.7
161.04512	11.4
163.03905	4.4
173.04527	10.6
177.01892	1.4
179.03462	4.8
189.63268	1.1
191.03973	2.0
191.05611	36.2
193.04955	1.4
211.07585	1.6
219.05060	4.9
229.01395	1.2
233.06612	1.3
233.15587	2.5
237.91293	1.1
249.05641	1.4
249.09277	1.4
251.07158	2.6
265.04901	1.2
267.06830	1.9
277.05157	1.7
295.06128	3.8
299.73242	1.0
311.09473	2.8
321.04095	3.2
321.19272	24.0
333.20749	3.0
337.03613	1.6
339.05234	13.4
340.05569	2.3
351.07260	3.9
351.21866	34.7
352.07883	1.4
352.22116	3.7
372.18106	1.2
435.82669	1.2
453.23535	100.0
454.23801	13.7
513.10095	12.1
513.17096	2.0
513.27087	10.4
514.10278	1.6
514.26324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33132	0.3
57.46605	0.2
59.01270	7.2
61.98726	0.3
63.96120	1.2
64.96900	0.2
66.72150	0.3
67.01781	0.8
68.29320	0.3
69.03345	1.0
71.01272	7.6
71.04931	0.4
71.10071	0.6
72.99158	0.3
73.02855	2.0
78.95770	0.5
78.98486	4.6
79.95628	7.1
80.96414	51.1
81.03361	1.0
83.01278	0.6
83.04913	0.9
83.35023	0.2
85.02856	3.4
87.00777	4.0
89.02350	0.6
89.03876	0.2
93.03357	7.0
94.03718	0.5
94.97990	11.6
95.01286	0.4
96.95924	1.1
97.02853	1.7
99.00791	1.0
99.04473	0.3
101.02349	3.0
106.98002	2.4
109.02870	1.1
111.00763	0.8
111.04434	2.7
112.04794	0.2
113.02371	1.3
115.00282	0.3
117.03384	2.1
119.04955	6.2
121.02897	0.3
122.97519	2.5
125.02382	2.6
127.03951	1.0
129.01884	0.9
132.02177	0.3
133.02888	0.7
134.03682	6.7
134.97519	4.0
135.04460	2.1
136.04770	0.4
136.99092	1.0
137.02379	3.1
145.02904	6.4
145.04039	0.4
146.03223	0.2
148.99088	4.6
149.06012	0.8
152.98576	4.7
155.03433	6.2
160.01596	2.6
161.02393	1.0
161.04552	0.3
163.03958	6.6
164.04294	0.4
164.98595	9.6
167.00145	0.6
173.04521	20.9
174.04851	0.8
175.03947	3.2
177.01913	0.4
178.02704	0.4
179.03459	0.6
183.13927	0.6
188.98634	0.4
191.05609	4.0
192.06029	0.3
193.05067	5.1
194.05457	0.3
195.06482	0.6
195.08148	0.6
201.04120	0.3
205.04956	0.3
206.99683	2.4
213.14986	1.7
218.95386	0.3
219.05119	1.1
225.00769	15.8
226.01129	0.4
229.04272	1.2
229.54562	0.6
239.07320	0.4
249.09264	0.4
249.15005	0.9
255.03070	0.3
275.09244	0.3
284.03348	0.5
285.04181	0.8
299.04477	3.1
311.09445	1.4
319.08310	7.4
320.08636	0.8
331.19254	0.9
332.19705	0.8
333.20071	0.8
337.09485	0.4
349.09335	6.8
350.09888	0.8
351.21448	0.6
360.99991	0.3
367.10434	5.0
368.10873	0.6
513.14404	4.0
513.20282	100.0
513.26392	5.0
514.14819	0.6
514.20612	13.3
514.26990	0.7
536.81232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	12.8
61.98714	1.1
63.96128	0.8
67.01773	0.6
69.03349	1.0
71.01273	9.8
72.99189	1.1
73.02853	2.6
75.00761	0.3
78.95794	1.7
78.98488	4.1
79.95625	6.3
80.96413	48.7
81.03369	0.8
83.01287	1.2
83.04893	0.6
85.02848	5.3
87.00774	6.0
87.73530	0.3
89.02352	2.9
93.03365	4.2
94.90774	0.3
94.97990	12.3
95.01283	0.7
96.95917	3.3
96.96870	0.4
97.02879	1.6
99.00771	1.1
99.04414	2.2
101.02367	4.7
106.98002	2.5
108.02055	0.4
109.02876	0.7
111.00768	0.7
111.04436	1.0
111.08105	0.4
113.02370	2.2
115.00288	0.3
116.04964	0.6
117.03391	0.7
119.03437	1.1
119.04949	3.7
121.02855	0.7
122.97513	4.8
125.02376	3.8
127.03944	1.0
129.01878	1.5
133.02872	1.5
134.03632	1.4
134.97502	3.6
135.04469	1.7
136.99048	1.1
137.02391	1.8
141.01860	0.4
143.03467	0.4
143.04926	0.6
145.02878	2.5
146.97522	0.3
147.04439	0.5
148.99113	5.1
152.01015	0.3
152.98578	6.3
155.03433	1.0
160.03934	0.5
161.02423	2.3
161.04494	0.9
163.03926	2.6
164.04353	0.3
164.97284	0.6
164.98599	10.6
165.00000	0.6
167.00172	0.5
167.03445	0.4
167.06113	0.6
173.04518	4.6
175.03955	0.6
177.01889	0.5
178.02620	0.5
179.03477	2.1
182.95418	0.3
182.99649	1.8
183.13882	0.5
191.05588	8.1
191.07167	0.4
192.06062	0.5
193.05074	0.7
194.05826	0.6
195.08192	0.7
195.13910	0.7
201.04088	0.4
206.99704	3.1
209.08217	0.5
211.07655	0.8
213.15005	2.8
219.05093	4.8
222.06802	0.6
225.00760	16.4
226.01076	0.7
226.06392	0.4
241.08656	0.4
243.02014	1.6
243.04227	0.4
249.09270	1.0
250.06323	0.3
255.03027	0.6
263.07526	0.3
267.07001	0.4
280.07413	0.4
285.04196	0.4
288.20703	0.4
293.04785	0.4
293.08142	0.6
299.04443	2.5
304.08487	0.7
308.06754	0.4
309.13467	0.6
311.09317	4.2
312.09729	0.4
317.05463	0.5
319.08371	0.5
321.04230	0.7
333.13626	0.5
333.20511	0.5
339.05063	2.0
343.27542	0.3
350.20645	0.4
351.07358	0.4
351.21329	0.7
353.08752	0.7
357.09839	0.6
423.13364	0.7
453.14151	1.8
454.14624	0.4
469.27887	0.4
477.14264	0.8
478.34058	1.4
513.20258	100.0
513.27063	8.6
514.20721	14.2
514.27551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67491	1.0
55.01773	1.8
57.03344	6.2
59.01267	50.9
61.98718	12.6
67.01783	6.2
68.99708	5.8
69.03332	5.9
70.69059	1.7
70.69403	1.9
71.01271	46.7
71.01666	2.3
72.01598	1.3
72.99206	3.8
73.02840	4.4
77.66293	0.9
78.95800	1.1
79.05441	2.3
80.02607	1.0
81.03368	3.0
83.01285	3.9
83.04935	3.3
85.02846	44.9
86.03204	1.0
86.63004	1.0
87.00775	15.9
88.98739	1.4
89.02341	6.5
91.03909	3.0
93.03361	16.9
95.01289	8.4
95.04956	2.2
96.95934	7.1
97.02855	2.7
97.06525	1.3
99.04436	4.6
101.02368	6.1
103.00289	3.1
107.04966	3.2
109.02866	2.0
111.00806	6.4
111.04446	4.5
112.01593	2.3
113.02362	65.6
115.03925	2.3
117.03390	4.7
119.04951	15.1
121.02905	2.5
127.03909	2.3
128.78590	1.1
129.01897	6.5
133.02895	4.7
134.03690	7.8
135.04469	7.1
137.02362	7.8
139.00333	4.2
139.03996	1.6
143.03482	1.2
145.02885	13.1
146.03264	2.9
148.71300	1.3
155.03391	7.0
157.01384	1.8
159.11726	1.2
160.01631	2.8
161.02411	3.9
161.04552	2.0
161.13318	41.6
162.13683	2.9
163.03954	15.9
164.04350	2.1
173.04514	38.0
174.04941	1.5
175.03993	1.6
177.01930	1.5
179.03505	2.9
187.11241	9.3
189.04079	2.5
190.36731	1.1
191.05591	23.7
192.38312	1.2
193.05070	9.4
195.06633	1.5
205.07166	15.0
205.08853	1.4
205.12334	43.3
206.12651	2.3
213.09352	1.4
231.05127	2.7
249.06204	9.8
249.11446	4.1
263.07782	29.0
264.08069	1.6
281.08832	100.0
282.09238	5.4
283.13635	1.3
319.08401	3.9
323.15042	2.3
333.20972	5.5
337.09375	10.3
349.09344	5.4
351.07376	2.2
351.21832	1.7
367.10529	2.5
411.20670	4.0
437.18463	3.0
453.21603	1.8
469.20877	59.5
470.21240	10.1
504.21216	2.2
508.52704	1.2
513.14618	1.6
513.20111	38.1
513.27484	5.0
514.20465	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	513.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.7
57.03346	5.7
59.01267	29.2
60.06625	1.0
60.99180	1.7
61.98708	2.5
67.01781	5.9
68.99706	4.9
69.03341	4.4
69.29736	1.0
71.01273	43.4
71.01669	2.7
71.63318	2.4
72.99191	2.5
73.02844	3.1
81.03349	2.0
83.01280	4.5
83.04922	3.3
85.02846	48.0
85.99998	1.5
86.03226	1.4
87.00773	14.6
88.98695	11.6
89.02341	6.5
91.03920	2.5
93.03367	8.7
95.01283	9.9
96.95925	1.7
97.02879	1.9
97.06484	1.3
99.00803	1.5
99.04437	3.9
101.02344	4.0
103.00287	2.4
107.04941	1.4
109.02872	1.1
111.00789	7.0
111.04401	2.3
112.01610	2.3
113.02362	58.5
114.02699	2.8
117.03407	1.5
119.04959	3.1
127.03951	1.2
129.01857	5.1
131.03459	1.2
133.02887	2.4
134.03729	1.7
135.04456	5.4
136.04800	1.3
137.02396	2.8
139.00336	3.1
145.02916	3.8
157.01379	2.2
159.11777	2.1
161.02428	2.4
161.04456	1.5
161.09718	1.3
161.13306	37.0
162.13631	4.0
163.03944	3.0
173.04556	6.7
176.04175	1.6
179.03412	2.7
187.11221	7.7
189.04100	2.2
191.05595	10.4
192.05899	1.3
193.05005	2.7
204.84291	1.4
205.07167	13.8
205.12329	37.6
206.12648	3.7
229.04303	3.3
229.54422	2.0
237.09975	1.2
249.06242	9.7
263.07764	28.0
264.07959	2.4
265.08765	1.3
267.07199	1.5
281.08850	100.0
282.09137	5.8
285.04352	1.5
331.19238	1.6
333.20642	1.7
335.29184	1.4
339.05341	1.7
351.21100	1.4
437.18390	2.1
439.89935	1.4
469.20886	73.4
470.21213	10.9
481.18036	1.4
495.19144	1.4
510.73480	1.5
513.19873	16.1
513.26953	3.6
514.20367	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	513.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93607	1.1
51.07424	1.1
55.01781	1.9
56.71883	1.4
57.03331	6.1
59.01270	30.3
60.99191	2.0
61.98727	3.6
67.01768	6.6
68.99705	4.7
69.03337	5.3
69.20181	1.3
69.28240	2.4
69.28643	12.9
71.01273	43.4
72.73807	1.1
72.99201	3.5
73.02840	2.9
75.29807	1.3
81.03346	2.4
83.01290	4.5
83.04930	3.6
85.02847	50.2
87.00776	16.7
88.98705	13.4
89.02358	6.2
91.03907	2.5
93.03352	8.1
94.03721	1.7
95.01281	8.5
95.04953	2.0
96.95919	5.8
97.02896	3.1
99.04417	2.9
101.02351	5.6
103.00272	3.4
107.04921	1.4
111.00791	6.6
111.04423	1.7
112.01568	2.2
113.02360	64.7
114.02742	2.7
119.04935	2.4
119.30941	1.3
123.07973	1.8
129.01857	5.4
133.02907	3.8
134.03683	2.9
135.04462	8.9
137.02376	1.9
139.00317	3.4
145.02908	4.4
157.01425	2.4
161.02380	5.2
161.13318	42.5
162.10431	1.4
162.13649	2.8
163.03998	2.7
173.04462	8.9
179.03398	1.9
185.38361	1.3
187.11255	10.5
191.05597	16.2
193.05031	1.8
205.07133	12.8
205.12329	43.7
206.12674	4.1
229.04320	5.5
229.54460	6.3
230.04668	1.4
230.80029	1.4
231.05153	2.5
249.06212	8.6
249.11584	1.7
259.79541	1.5
263.07785	30.8
264.08047	2.8
281.08853	100.0
282.09274	6.2
285.04224	2.5
331.19098	1.5
333.20694	2.1
355.22308	1.7
437.18158	1.8
469.20901	72.5
470.21237	10.5
513.19794	17.9
513.27045	4.0
514.20251	3.2
535.00452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.0
58.00475	1.0
59.01265	20.2
60.86805	0.6
61.98730	1.6
63.91385	0.7
67.01770	0.7
69.03342	4.7
70.98396	0.8
71.01276	8.6
71.60162	1.5
72.99194	2.1
73.02838	8.2
74.03191	0.8
75.00762	0.8
78.95795	5.0
81.03335	1.9
83.01270	5.8
83.04910	1.8
85.02847	12.8
87.00777	25.5
89.02342	2.8
93.03363	17.0
95.01296	1.8
95.04926	10.1
95.29041	0.7
96.95916	6.4
96.96848	4.1
97.02840	4.5
97.06496	34.5
98.06826	1.2
99.00793	1.3
99.04408	1.5
101.02336	7.4
105.03348	2.6
106.05303	0.7
107.04922	0.8
108.02081	0.9
109.02867	6.1
109.06491	2.0
111.00780	3.7
111.04440	6.3
112.01125	0.8
113.02314	3.9
115.00288	2.2
115.05452	0.9
115.07549	5.2
117.03414	1.8
119.04949	41.4
120.05267	1.8
121.02886	2.4
121.06536	1.5
123.04449	2.0
123.08062	3.4
125.02387	1.3
125.05972	1.9
127.03909	0.9
129.01860	4.1
131.04961	1.1
133.02875	5.9
134.03667	2.0
135.04451	5.1
135.08078	1.5
137.02383	1.2
137.06010	4.3
139.03923	0.9
139.07573	5.5
141.01862	1.7
141.05501	2.9
143.04977	6.0
145.02884	8.4
147.04472	4.0
149.02477	0.9
151.03984	7.5
151.07590	2.0
153.09157	1.6
155.03456	1.2
155.07094	8.0
159.06584	55.3
160.01488	0.9
160.06909	1.9
161.02394	35.8
161.04523	1.8
162.02843	1.2
163.03978	22.7
163.07573	1.8
164.04332	1.3
165.05583	4.2
173.04549	6.3
173.08159	1.5
176.04762	19.5
177.01901	2.6
177.05202	1.7
179.03474	65.1
180.03941	4.7
181.05066	1.9
181.08633	1.4
183.06610	28.9
184.06931	2.4
191.03598	1.8
191.05563	10.4
191.07155	7.1
192.05847	1.0
193.05049	0.9
194.05830	56.7
195.06395	7.4
195.08186	2.3
196.07332	1.9
197.08162	2.7
201.04042	22.0
201.07712	8.8
202.02696	1.0
207.06635	7.7
207.08327	1.2
209.08200	100.0
210.08510	6.0
211.09731	1.6
213.07625	1.3
219.05107	22.0
219.08241	1.6
220.05415	1.7
221.09714	6.4
223.11317	2.5
225.05713	1.2
225.07703	8.0
233.09586	1.2
237.09207	3.0
243.08791	28.9
244.09183	1.0
249.09238	11.2
250.09483	1.2
267.07480	1.0
267.10318	3.5
290.81815	0.8
293.08304	4.8
303.10950	16.2
304.11145	1.9
311.09335	44.8
312.09744	4.8
339.05093	1.9
349.09207	4.0
351.07227	1.7
351.21198	1.4
353.08685	1.0
365.08820	2.8
513.13763	3.9
513.20172	3.3
513.26794	2.7
514.15454	0.9
533.33667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18562	0.1
59.01266	2.2
61.98714	0.3
68.99697	0.8
71.01270	0.8
71.59781	0.1
72.99187	0.1
73.02833	0.3
74.02380	0.1
75.00755	0.2
78.95796	0.1
83.01279	0.1
85.02843	0.5
87.00773	0.2
89.02345	0.2
89.03873	0.2
93.03345	0.4
95.01292	0.1
96.95930	0.2
99.00794	0.2
101.02310	0.4
113.02345	0.4
115.05434	0.3
117.03377	30.7
118.03699	1.3
119.04942	10.7
120.05277	0.5
121.02878	0.4
123.04372	0.1
130.96761	0.1
133.02867	0.8
134.03671	0.1
134.36220	0.1
135.04468	0.6
136.05142	0.1
137.02330	0.1
139.07628	0.1
143.04967	5.1
144.05313	0.2
145.02887	100.0
146.03227	5.1
147.04475	0.2
148.05235	11.2
149.04558	0.1
149.05504	0.4
151.07571	0.2
159.04425	0.2
161.02376	0.8
161.04491	0.3
161.06015	0.3
163.03954	13.0
163.07581	4.3
164.04283	0.6
164.07915	0.2
164.64755	0.1
173.04533	0.4
177.01843	0.3
179.03429	0.4
187.03973	9.3
188.04333	0.7
191.05597	0.6
191.07037	0.1
195.06606	0.1
249.06097	0.1
251.93614	0.1
267.07208	0.4
289.07217	0.1
337.03683	0.1
339.05124	0.4
349.09338	3.5
350.09827	0.4
351.07159	0.2
352.07788	0.1
352.60428	0.1
393.11697	0.1
431.20306	0.1
451.34290	0.1
453.15216	0.2
513.17719	21.8
514.18060	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	513.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30691	0.4
57.30923	0.4
59.01267	31.7
60.01614	0.5
61.98711	1.8
63.92836	0.4
68.99723	2.6
71.01273	6.2
71.57822	0.7
72.99185	0.8
73.02831	4.4
83.01272	1.1
85.02845	1.7
87.00793	0.9
89.02335	1.5
93.03353	2.5
101.02332	3.6
111.04420	0.5
113.02370	1.9
115.05446	1.0
117.03379	31.4
118.03714	1.7
119.04944	16.5
120.05290	0.9
121.02840	0.6
133.02863	1.1
135.04486	0.9
143.03824	1.0
143.04961	20.2
144.05309	1.6
145.02892	100.0
146.03218	6.5
148.05237	19.5
149.05640	0.7
157.06502	0.8
161.02455	0.6
161.04494	1.8
161.06004	1.5
163.03958	12.3
163.07594	10.1
164.04324	0.6
173.04533	2.5
173.05879	0.5
179.03105	0.4
187.03979	31.2
188.04315	1.9
191.05588	2.9
205.05072	1.1
218.59088	0.4
233.83464	0.4
250.86581	0.5
260.99136	0.5
289.07230	1.0
291.19717	1.4
307.08389	2.1
349.09369	17.2
350.09613	1.7
360.55447	0.4
370.18402	0.5
436.31888	0.5
453.15671	6.4
453.25247	0.7
454.16187	1.1
464.62540	0.5
471.16589	3.1
471.26050	0.7
471.69214	0.5
485.26093	0.6
495.26086	1.6
513.17889	21.8
513.27209	24.1
514.18707	3.9
514.27075	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	513.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21226	0.6
57.03358	1.4
58.00493	0.7
59.01264	17.9
61.98702	1.9
67.01770	4.6
69.03342	0.9
69.90789	1.3
69.91206	2.8
71.01275	16.2
72.99198	1.4
73.02842	2.5
75.00776	0.9
81.03330	0.9
83.01250	1.0
83.04917	2.0
85.02846	12.8
87.00780	5.9
89.02342	3.5
93.03360	34.1
94.03694	1.5
95.01286	3.0
96.95915	4.9
99.00784	1.4
99.04427	0.9
101.02357	4.7
102.97481	0.6
103.00307	1.1
103.83470	0.7
107.04937	1.0
108.02048	0.7
109.02872	2.0
111.00803	3.1
111.04427	9.6
112.01524	0.7
113.02357	14.7
115.00275	0.7
117.03400	5.9
119.03490	0.8
119.04950	20.4
120.05272	1.0
121.02887	0.9
125.31435	0.6
127.03963	2.0
129.01849	2.7
131.03412	0.8
132.02121	1.1
133.02882	2.8
134.03665	25.8
135.04506	3.2
137.02382	43.4
138.02728	2.0
138.22736	0.6
139.00317	1.2
145.02888	16.6
146.03258	1.0
149.06049	3.6
155.03442	20.0
156.03799	0.8
160.01628	7.4
161.02345	2.7
161.04510	1.7
161.13321	3.7
163.03958	25.8
164.04274	1.2
173.04515	100.0
174.04936	3.7
175.03976	11.4
176.04205	1.3
177.01875	3.4
178.02655	1.4
179.03394	1.6
187.11209	1.5
191.05605	14.2
192.05910	0.9
193.05045	23.9
194.05350	1.3
205.07181	2.8
205.12335	4.1
211.07489	1.0
213.05310	0.6
241.08713	0.9
249.06255	1.2
249.11266	1.0
263.07730	1.5
267.07245	3.3
281.08838	16.7
288.31403	0.7
319.08301	13.2
320.08600	1.3
337.09366	23.9
338.09680	2.5
347.18567	0.7
348.19003	1.3
349.09354	24.0
349.19327	0.9
350.09644	2.0
351.21844	1.0
367.10400	7.1
374.28854	0.7
426.20889	0.8
469.21021	7.4
470.21796	1.1
502.72260	0.7
505.08368	0.8
512.37512	0.8
513.14026	13.0
513.20306	5.4
513.27203	9.4
514.14453	1.9
514.20886	0.8
537.56671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.1
59.01265	33.1
61.98721	1.4
65.03844	2.7
67.01776	2.1
69.03345	7.5
71.01268	6.5
71.58328	1.5
72.99191	1.8
73.02819	1.6
78.95802	5.9
81.03359	1.6
83.01286	3.5
83.04918	1.5
84.94328	0.8
85.02849	8.8
87.00774	46.8
87.75859	0.8
89.02348	2.0
93.03361	13.9
94.03767	0.8
95.01257	1.2
95.04921	2.0
96.95913	3.7
96.96873	2.8
97.02854	9.7
99.00774	1.8
101.02364	3.6
108.02088	2.2
109.02854	3.3
111.00796	7.4
111.04424	2.7
113.02361	3.2
115.00267	1.5
117.03384	4.8
119.04948	100.0
120.05286	4.3
121.02901	2.6
122.18300	0.9
129.01866	4.7
131.04858	0.9
133.02864	3.2
134.03656	2.1
135.04437	2.7
137.02368	1.5
139.03973	2.1
141.01854	4.8
143.05032	1.3
145.02905	21.4
145.06490	1.4
146.03244	1.3
147.04463	11.1
153.01891	1.0
155.03406	2.0
161.02428	6.1
161.04488	1.1
163.03960	72.8
164.04298	4.9
173.04556	6.3
174.04782	0.9
179.03450	2.0
191.05583	17.3
192.06203	0.9
201.04033	63.4
202.04401	2.5
206.07281	1.5
207.08066	1.4
208.08800	1.2
211.07556	1.3
219.05101	28.9
220.05385	1.5
221.09695	16.2
222.10255	3.1
223.11299	8.4
233.09468	1.6
237.09222	10.4
238.09706	1.3
249.09314	2.6
264.15231	0.9
265.08832	0.9
267.07495	0.9
267.10315	21.3
268.10678	1.7
311.09317	84.1
312.09634	7.6
319.08401	1.1
327.08807	1.1
333.66452	0.9
336.95715	0.9
337.03662	1.1
339.05048	6.1
340.04568	0.9
349.09344	15.7
350.09821	1.5
365.08813	8.2
366.09317	1.2
424.21167	0.9
425.07480	1.0
469.14981	2.3
512.25769	1.7
513.14954	8.2
513.26898	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	513.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34489	0.5
59.01273	2.6
67.01777	0.9
69.47272	5.1
69.47688	1.0
71.01274	2.2
73.02853	0.7
77.72284	0.5
80.23792	0.7
81.03378	1.7
83.04897	1.4
85.02843	1.6
87.00772	1.6
89.03863	1.9
93.03356	11.9
101.02320	1.2
106.04189	0.9
109.02853	1.4
109.81228	0.5
111.00863	0.9
111.04442	6.3
117.03372	11.7
119.04946	41.9
120.05290	1.9
127.03941	1.8
129.01901	1.0
132.02124	0.7
133.02855	3.4
134.03668	81.6
135.04124	3.0
137.02376	4.2
145.02892	22.1
146.03249	1.2
149.06023	8.1
151.96387	0.6
155.03447	9.8
160.01639	4.6
161.02400	4.6
163.03958	56.3
164.04324	2.7
173.04512	57.7
174.04878	2.8
175.03952	4.9
177.01917	1.1
178.02692	2.6
179.03433	2.3
181.22577	0.6
190.06143	0.6
191.05586	16.0
192.05885	1.0
193.05037	100.0
194.05374	4.7
241.04462	0.6
245.10077	0.6
265.05249	1.3
319.08304	37.3
320.08505	2.4
337.09360	13.9
338.09576	1.8
339.05139	2.3
349.05438	1.1
349.09387	14.2
350.09531	1.1
352.08032	0.8
353.08856	1.2
367.10422	50.8
368.10779	4.8
457.71658	0.6
513.26465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58820	0.5
59.01267	8.6
60.99176	0.6
61.98714	0.8
67.01779	4.3
69.03339	1.7
71.01270	7.7
71.59708	0.7
72.99173	0.5
73.02850	2.4
78.95832	0.5
78.98515	2.5
79.95628	3.4
80.66244	0.5
80.96413	28.7
81.03352	1.6
83.01291	0.7
83.04919	2.7
84.51994	0.5
85.02847	4.2
87.00323	0.5
87.00765	3.6
89.02328	1.7
89.03855	0.9
93.03364	23.5
93.07174	0.5
94.03696	0.9
94.97984	6.3
95.01307	0.9
96.95923	2.6
97.02859	1.6
99.04422	0.9
101.02351	2.7
106.97990	1.4
107.23813	0.5
108.02095	0.8
109.02860	1.4
110.03642	0.6
111.00792	2.0
111.04433	14.2
113.02366	2.7
117.03381	10.3
118.03754	0.6
119.04946	33.1
120.05280	1.3
121.02951	0.5
122.97516	1.3
125.02374	2.2
127.03931	1.9
129.01872	1.2
132.02098	1.4
133.02881	1.3
134.03668	36.6
134.97527	1.8
135.04198	1.7
136.99113	0.6
137.02376	17.6
138.02718	0.7
139.03909	0.5
145.02893	33.7
146.03232	1.7
148.99077	2.3
149.06036	3.9
151.03990	2.4
152.01112	0.8
152.98582	2.8
155.03447	33.5
156.03787	1.2
160.01617	11.9
161.02286	1.6
163.03963	38.4
164.04314	2.2
164.98601	6.6
167.03445	1.0
173.04521	100.0
174.04851	3.4
175.03966	18.0
175.05493	1.1
176.04327	1.1
177.01938	0.6
178.02660	1.5
179.03467	1.5
191.05574	5.9
193.05042	30.4
194.05380	1.7
195.08125	0.6
206.99701	1.6
210.06915	0.6
211.07622	1.1
213.09215	0.5
213.15007	1.5
225.00766	8.3
237.13068	0.5
239.07175	1.2
243.29930	0.5
263.07416	0.5
275.09430	1.3
281.08835	1.5
299.04535	1.4
305.10400	0.5
319.08307	35.8
320.08810	3.4
337.09335	5.7
338.09436	0.8
349.09378	34.2
350.09695	2.9
367.10406	14.3
368.10843	0.6
440.11984	0.5
443.50525	0.5
513.13916	16.4
513.20319	48.7
513.27081	4.9
514.14301	3.3
514.20654	6.0
514.27832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	4.5
69.03358	1.5
70.14865	1.2
70.15256	0.9
78.95821	1.1
82.04572	0.5
83.04900	0.7
85.06477	5.2
87.00770	18.1
113.09675	0.7
125.59252	0.4
127.11161	2.3
127.16560	0.5
141.12776	5.4
152.99539	2.4
155.14302	0.6
170.75674	0.5
235.20723	0.6
237.22250	12.3
251.23825	8.2
252.24123	0.7
279.26950	0.9
283.26477	8.8
284.26727	0.8
293.25015	0.5
293.28564	1.5
295.26437	3.3
296.26953	0.8
307.26471	2.5
309.27997	3.4
321.28046	100.0
322.28397	13.5
335.29623	78.0
336.29965	9.9
431.39026	9.7
432.39145	1.9
475.52591	0.5
484.81439	0.6
511.30841	4.0
511.39331	3.0
512.31006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72568	0.5
55.01763	0.7
57.03333	2.0
57.15104	0.5
59.01264	21.6
61.98706	1.0
65.03833	0.7
67.01780	1.8
69.03342	4.3
69.76172	2.9
71.01268	9.9
72.98242	0.5
72.99187	1.4
73.02833	2.0
78.95776	2.4
81.03356	2.3
83.01280	2.9
83.04924	2.2
85.02844	11.4
87.00774	51.7
89.02341	3.9
93.03362	22.7
95.01275	0.9
96.95927	4.7
96.96859	1.1
96.99216	0.7
97.02839	7.1
97.06493	0.6
98.19881	0.8
99.00767	1.6
99.04431	2.5
101.02356	4.8
101.05984	0.7
109.02859	2.2
109.06487	0.8
111.00790	6.8
111.04439	2.9
113.02345	4.7
113.05984	0.6
115.00269	2.8
115.05431	0.8
117.03379	5.0
119.03394	1.6
119.04948	12.0
119.16953	0.5
120.05296	1.1
121.02866	2.4
123.04476	0.9
123.08065	0.5
124.25699	0.6
125.02401	0.7
125.57863	0.5
127.03947	1.4
127.07552	4.6
129.01854	6.9
131.03468	1.1
131.04961	0.9
133.02873	2.3
134.03693	1.4
135.04433	3.3
137.02400	1.5
141.01903	3.7
143.03479	0.6
143.04926	1.7
145.02898	13.4
146.03233	2.0
147.03398	0.8
147.04468	2.2
149.05949	0.6
153.01871	0.6
155.03461	1.0
157.05008	1.3
161.02371	2.7
161.04443	1.2
162.26735	0.5
163.03964	9.5
164.04276	2.1
165.12729	0.7
167.03462	1.0
173.04504	4.7
175.03949	0.6
178.02646	0.6
179.03467	2.8
179.05511	0.8
180.04199	1.3
189.12831	0.6
191.05580	14.1
193.05052	0.6
195.06412	0.9
195.08145	11.1
196.08601	0.7
201.02202	1.1
201.04016	10.0
206.07129	0.7
207.08167	1.6
211.07600	1.4
218.09431	1.0
219.05098	100.0
219.08415	2.8
220.05437	4.8
221.09727	3.6
222.06821	0.6
223.11281	1.8
233.11896	1.3
234.06987	1.4
235.07674	0.6
235.09775	1.9
249.09239	13.0
249.11208	0.5
250.06416	0.9
250.09523	1.1
250.12183	1.5
251.07161	2.3
265.14545	1.1
267.06763	1.7
267.10278	1.8
271.20529	1.1
277.05072	0.8
277.10400	0.6
289.21790	1.7
293.08191	6.8
295.06284	1.4
305.09357	0.6
307.22916	8.9
308.23309	0.6
309.13458	3.3
311.09332	25.3
312.09653	3.3
319.08493	0.7
321.04251	0.7
327.08627	0.8
337.03369	0.6
339.05212	7.9
349.08813	1.4
351.21872	14.7
352.22397	0.9
353.08932	1.2
413.14569	1.6
453.17749	0.6
495.09488	1.2
513.10773	6.6
513.20142	2.5
513.26740	3.5
514.10883	1.5
514.27899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.9
57.03330	2.0
59.01268	18.3
61.98425	1.0
61.98721	13.8
63.56092	0.8
64.24438	0.7
69.03347	0.8
69.84247	3.4
70.04954	0.7
71.01271	28.5
72.99209	1.4
73.02835	15.5
74.90485	0.7
75.00771	0.7
83.01277	6.7
85.02847	13.4
87.00766	2.5
89.02342	5.2
95.01290	2.3
97.02857	2.3
97.06499	2.7
98.20605	0.7
99.00780	6.2
101.02349	28.6
111.00790	1.4
113.02349	11.2
115.03945	1.6
115.96292	0.7
125.02338	2.4
131.03464	1.5
134.27829	0.7
143.03410	0.9
153.05540	1.2
159.02927	1.7
161.02428	1.5
161.04497	5.9
191.05598	2.5
209.11841	0.7
233.06685	1.4
287.20230	1.1
293.08884	1.0
305.21170	1.0
319.21335	21.6
320.21655	2.2
331.19067	1.7
349.20352	4.4
451.25586	100.0
452.25864	13.5
511.25159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3443
Annotation	11-OXOURSOLIC ACID ACETATE
Peak:m/z	Relative Intensity
59.01270	18.1
67.79263	0.5
71.58894	0.5
78.95787	0.5
86.21634	0.5
90.57207	0.5
90.78355	0.5
105.60193	0.5
274.28073	0.6
331.22952	0.9
369.03009	0.5
375.27078	1.1
405.31705	14.0
406.32138	3.0
435.29376	1.9
449.30957	1.6
450.57623	0.6
451.32507	3.1
465.33832	65.4
466.34146	12.4
467.35440	0.9
511.34439	100.0
512.34760	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	511.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46764	0.2
57.03326	0.4
59.01268	6.4
61.98697	1.0
62.04807	0.2
69.03337	0.3
71.01266	4.0
71.04915	0.4
71.57505	0.2
71.57892	0.4
73.02825	0.8
75.00768	3.1
81.03305	0.2
83.01278	0.4
85.00581	0.3
85.02848	1.6
87.00766	0.5
89.02352	1.7
93.03351	0.6
95.01273	0.5
97.02850	3.9
97.06510	0.3
99.00787	0.3
101.02338	3.0
105.01826	0.3
109.02859	0.7
109.39567	0.2
110.03098	0.2
111.04410	0.2
113.02359	2.5
115.00309	0.4
117.03383	0.2
119.03394	0.9
119.04942	0.5
121.06519	0.2
123.00805	0.3
123.08091	1.3
125.02390	0.3
125.09636	0.3
127.07570	14.4
128.07881	0.4
129.01869	0.2
133.02866	0.3
135.04433	0.5
135.07986	0.3
137.06035	0.3
139.03897	0.2
143.03362	0.4
145.02919	0.4
145.06529	0.3
147.02954	0.5
147.08093	1.7
159.08138	0.3
159.11691	0.4
161.02374	0.3
161.04492	0.4
161.09656	2.6
163.03951	0.4
163.07585	0.4
163.11240	3.2
165.09163	0.3
173.04567	0.7
173.09665	0.3
175.11214	0.7
179.05580	0.4
181.08638	0.9
185.09653	0.2
187.07639	0.3
189.05562	0.4
189.09195	0.4
191.05649	0.9
191.07111	18.4
192.07430	0.7
201.09210	2.2
203.10744	1.6
203.14397	0.8
204.11295	0.3
205.08691	14.5
206.09251	1.3
206.40579	0.3
207.10207	1.0
209.42868	0.2
211.07616	0.7
218.09613	0.3
221.08246	2.3
222.08505	0.3
229.08623	0.4
269.19116	0.9
270.19382	0.4
287.20288	0.7
289.18265	0.4
305.21100	0.3
313.18198	5.4
313.21613	0.5
314.18570	0.6
327.19748	0.7
329.21259	1.2
331.19217	100.0
332.19565	13.0
345.20749	1.8
349.20273	65.5
350.20612	8.3
355.19525	0.3
361.19968	0.3
363.21878	1.7
373.20276	11.3
374.20688	1.2
385.20325	0.9
391.21411	2.9
392.21725	0.4
403.21191	1.8
404.21561	0.3
421.22440	1.7
433.22562	0.3
451.23428	0.3
511.25909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99553	0.2
55.01775	0.6
55.88391	0.2
57.03341	0.9
58.00486	1.9
59.01265	39.2
59.98430	0.2
60.01606	0.4
69.03333	0.4
69.33868	1.7
71.01270	23.3
71.04913	0.2
72.01621	0.4
72.99197	1.7
73.02840	1.4
75.00777	0.8
81.03341	0.2
83.01276	1.9
83.04901	0.3
85.02845	7.5
87.00771	1.0
89.02338	17.2
90.02702	0.3
93.03369	0.4
95.01277	2.0
97.02853	16.7
97.06501	0.7
98.03199	0.6
99.00790	0.6
99.04396	0.2
101.02348	14.3
102.02680	0.5
107.04958	0.2
109.02851	1.0
113.02357	7.9
119.03422	6.0
119.04929	0.5
122.03636	0.2
123.04467	0.3
123.08093	0.7
127.07573	39.7
128.07895	1.6
131.03407	0.4
135.04396	0.4
135.08015	0.2
137.02325	0.2
137.06018	0.2
143.03430	0.6
145.02910	0.3
147.08148	0.2
148.49554	0.2
149.04469	0.4
151.03906	0.2
153.12802	0.2
161.04507	0.7
161.09634	0.4
163.03902	0.3
163.07579	0.2
163.11272	0.3
165.05505	2.0
165.09189	0.8
167.46426	0.2
179.05540	0.8
179.10806	0.6
181.12294	0.6
187.11278	0.4
189.05511	0.2
189.12845	2.1
191.05545	0.5
191.07097	5.0
192.07437	0.3
201.16556	0.2
203.14355	1.2
205.08696	5.9
206.09175	0.5
207.10243	2.3
209.08304	0.2
221.08212	0.5
221.15462	1.8
222.15813	0.2
223.09784	1.3
225.11333	1.9
226.11592	0.2
245.15601	0.3
269.19138	1.5
270.19565	0.3
283.16946	0.9
285.18597	0.3
287.20218	1.1
295.16785	0.2
305.21301	0.3
313.18164	14.5
314.18564	1.8
315.19870	0.9
331.19208	30.4
332.19565	4.3
333.20834	0.8
349.20273	10.6
350.20639	1.1
373.20114	0.5
391.21292	0.4
446.21350	0.2
455.12720	0.2
467.26617	0.5
479.09415	0.3
493.24545	28.1
494.24872	5.2
511.25583	100.0
512.25928	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53730	0.5
57.03343	0.5
59.01267	7.7
59.06325	0.4
60.47316	0.4
61.98718	21.9
62.98427	0.5
67.01767	0.7
70.00777	2.0
71.01276	5.2
71.04910	18.1
72.05267	0.7
73.02840	0.6
83.01279	0.7
83.04944	1.0
84.85698	0.5
85.02837	2.9
87.00777	1.4
89.02352	2.5
93.03365	2.1
95.01325	0.6
95.04969	0.9
96.95910	0.5
97.06532	0.6
98.20503	0.7
101.02359	2.0
107.04942	1.9
109.02864	0.6
109.06508	1.3
111.08081	1.0
113.02356	2.8
119.03404	0.8
119.04948	1.3
121.06508	2.7
123.08080	60.7
124.08453	3.3
127.07572	19.0
129.01933	0.6
133.02885	2.7
135.04451	3.2
137.02380	3.3
145.02899	1.5
147.04385	0.5
158.26421	0.5
161.02391	9.7
161.04477	0.9
161.05995	0.7
161.09660	3.1
162.02705	0.7
163.03955	1.4
163.11220	3.8
165.12889	0.5
173.04474	2.2
175.11221	1.5
177.01875	0.7
179.03427	1.1
181.12283	2.3
191.05595	5.1
191.07193	0.8
191.14427	3.0
201.03975	0.6
203.14368	0.5
205.12320	0.6
217.12358	1.0
229.04309	1.2
235.17230	0.5
245.19102	2.2
261.22296	1.3
287.20255	24.4
288.20575	3.0
305.21301	48.4
306.21628	5.8
329.21619	0.5
331.19296	3.2
337.09576	0.5
339.05478	0.5
343.72189	0.4
347.18524	0.9
349.20288	100.0
350.20596	11.7
373.20227	3.2
374.20935	0.6
391.21567	0.6
415.20831	0.5
449.14734	0.7
451.22925	0.7
511.12646	1.8
511.25909	4.1
512.26270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2566
Annotation	Andrographiside
Peak:m/z	Relative Intensity
51.76239	0.4
55.01755	0.8
57.03325	1.6
58.00469	1.6
58.61170	0.4
59.01268	35.8
60.01586	0.7
61.98721	2.0
67.01751	0.7
67.94337	0.4
68.53943	0.4
68.99697	0.7
69.03342	1.1
69.45190	4.0
71.01272	23.1
71.78091	0.5
72.01599	0.4
72.99205	2.8
73.02840	2.0
75.00763	0.5
78.95782	0.5
80.96431	0.6
81.03327	0.6
83.01281	2.2
83.67510	0.4
85.02850	9.1
87.00788	2.7
89.02345	15.8
89.02902	0.8
93.03359	4.7
95.01288	2.4
96.95904	1.0
97.02858	13.4
97.06504	0.6
99.00791	0.9
99.04369	0.6
101.01704	0.9
101.02349	13.7
108.02094	1.3
109.02894	0.9
111.00794	0.9
111.04392	1.1
113.02363	11.0
114.02704	0.5
117.03364	0.4
119.03414	6.4
119.04917	1.4
121.02838	0.9
123.04427	1.2
125.02338	0.5
127.07578	27.8
128.07866	1.2
129.01897	0.5
129.06981	0.5
131.03464	0.8
133.02933	0.6
134.03625	1.1
135.04416	1.3
137.02365	3.4
143.03386	0.5
145.02864	1.5
152.01054	1.0
157.10088	0.5
159.04443	0.5
159.11746	2.9
161.02441	1.1
161.04500	1.7
163.03996	1.2
165.05518	1.9
165.09160	0.5
167.03452	1.8
173.04547	2.1
177.02075	0.6
179.03427	0.8
179.05641	0.4
179.10741	0.6
185.09741	0.6
189.12888	1.5
191.05568	3.8
191.07155	2.9
193.05002	1.6
195.06604	0.8
201.12778	0.4
203.10753	8.2
204.11076	0.9
205.08684	3.5
206.09052	0.7
207.10275	1.7
211.07635	0.9
221.08202	0.5
221.15471	1.6
223.09761	1.3
225.11322	1.6
247.09828	1.3
263.07788	5.1
269.19247	1.0
281.08813	1.8
283.17130	0.9
287.20294	1.3
313.18188	11.2
314.18567	1.5
315.19604	0.5
331.19250	24.4
332.19672	2.3
333.20847	0.7
347.18658	1.9
349.20193	2.8
373.20450	0.6
404.10068	0.5
441.69226	0.5
447.07114	0.8
467.19385	4.5
467.25992	0.8
468.19104	0.9
476.47168	0.5
479.10101	1.8
493.24579	24.9
494.24829	4.2
511.18845	5.4
511.25586	100.0
512.19550	0.8
512.25958	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	511.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89211	0.5
59.01044	2.3
59.01378	7.7
61.98474	2.8
61.98835	11.3
63.17712	0.5
65.31100	0.4
69.03416	0.6
71.00959	1.1
71.01400	5.6
73.02586	0.6
73.02957	1.3
75.00904	2.0
83.01392	0.6
85.02979	2.1
87.00903	0.6
89.02489	3.1
93.03465	1.0
95.01412	0.9
97.03011	3.5
97.06607	1.3
101.02512	4.6
108.02203	0.6
108.07218	0.5
109.02966	0.6
113.02519	3.2
117.03506	0.8
119.03571	1.5
121.02894	3.5
123.08198	1.0
127.07732	4.9
132.02106	3.3
133.02888	9.2
134.03699	3.0
135.04448	3.3
136.14323	0.5
139.04086	0.5
145.03046	0.9
147.08244	1.4
149.06160	0.8
159.11909	0.8
160.01605	13.7
161.02393	23.5
161.09839	1.8
162.02837	1.1
163.04030	0.9
163.11270	2.7
173.04684	1.3
173.06145	0.7
173.15627	0.6
175.03960	16.2
176.04431	0.9
177.02046	0.9
179.03629	2.4
179.05745	0.6
179.07173	0.6
179.15663	0.5
180.04086	0.8
181.08774	0.8
191.05614	3.1
191.07100	19.1
192.06064	0.9
192.07597	0.8
193.05058	5.5
195.06667	1.0
201.09325	1.4
203.10747	2.7
205.08664	13.8
206.09343	1.5
207.10370	0.7
217.05119	1.3
221.08316	2.2
269.19235	1.2
271.89673	0.6
287.20370	1.1
313.18210	2.3
329.21188	2.0
331.19217	100.0
332.19537	13.3
345.20706	0.7
349.15988	1.1
349.20248	18.0
350.20618	2.0
363.21716	1.1
373.20276	10.4
374.20483	1.7
391.21423	4.3
392.21429	1.5
403.21054	0.9
421.22314	0.7
451.23215	0.7
493.24664	3.1
511.21561	23.8
512.21863	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	511.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57267	0.3
52.91989	0.3
53.78273	0.4
54.51627	0.4
55.16014	0.3
57.03327	0.5
58.00468	0.5
59.01264	6.9
61.98715	4.0
69.03323	0.5
69.38417	3.1
71.01269	4.7
71.04909	24.7
73.02823	0.6
74.79684	0.3
83.04872	0.6
85.02857	4.4
87.00768	1.0
87.04619	0.4
89.02360	2.8
93.03323	1.1
95.01237	0.5
95.04909	1.2
101.02329	2.4
102.00534	0.4
107.04887	0.9
109.02815	0.7
109.06474	1.1
111.04398	1.0
111.08069	0.5
113.02357	3.1
117.03355	1.1
119.03421	0.9
119.04924	2.3
121.02910	0.5
121.06484	1.5
123.08078	34.2
124.08398	1.7
127.07574	26.0
127.08560	0.6
128.07851	0.9
133.02887	3.8
135.04442	3.3
136.70540	0.4
145.02893	5.1
161.02393	10.4
161.09578	0.8
162.02718	0.8
163.03932	3.0
163.11205	2.4
173.26320	0.4
175.11256	2.6
176.03902	0.5
177.12816	0.7
179.03444	2.6
179.05624	0.6
181.12332	2.8
187.03897	0.3
191.05571	3.2
191.14381	2.2
192.05884	0.7
193.16043	0.7
203.14395	0.7
204.94518	0.4
205.12177	0.4
217.12314	0.5
219.17534	0.8
235.17046	1.3
245.19098	4.0
261.22253	2.0
269.19385	0.5
285.22311	0.9
287.20224	8.7
288.20554	1.0
305.21283	63.1
306.21680	7.2
329.21146	2.6
330.21658	0.4
331.19226	3.9
349.20273	100.0
350.20587	11.4
363.21585	0.5
373.20142	3.1
391.21408	2.7
392.21661	0.5
415.21692	0.4
422.01456	0.4
451.23663	0.7
511.12610	1.4
511.22986	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	511.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.3
61.98717	0.4
62.15950	0.2
71.01273	0.6
71.58096	0.3
81.03375	0.3
84.40237	0.2
87.00774	0.2
93.03358	0.7
95.01324	0.2
95.04937	0.7
100.73518	0.2
107.04948	0.2
120.99639	0.2
121.02842	0.3
122.03648	0.8
123.04439	66.4
124.04768	2.5
133.02875	0.2
135.04416	0.2
137.02351	0.4
140.00424	0.2
145.02863	0.3
151.00299	0.3
153.05516	100.0
154.05858	4.6
161.02417	0.5
173.04539	0.3
183.13933	0.2
191.05508	0.4
195.06625	0.5
213.14978	0.7
221.91144	0.2
225.14949	0.2
260.77057	0.2
297.09808	0.3
315.10876	0.5
331.19098	0.5
343.24963	0.6
349.20227	0.5
501.69382	0.2
502.34305	0.2
511.25607	2.8
511.35645	0.2
512.25995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	0.7
61.98708	0.3
62.65656	0.1
63.64151	0.1
65.03826	0.1
69.64726	0.8
71.01271	0.2
72.94971	0.1
75.00767	0.1
81.03352	0.5
85.02868	0.1
91.01788	0.4
93.03331	0.3
96.95941	0.1
98.20494	0.2
101.02325	0.2
107.94653	0.1
108.02071	2.1
109.02863	64.5
110.03201	2.3
113.02369	0.2
117.03366	0.2
119.04973	0.2
125.02384	0.3
135.04414	0.2
137.02306	0.1
145.02910	0.3
151.07640	0.6
152.01112	0.2
153.01880	100.0
154.02223	4.2
154.03165	0.1
161.02426	0.3
163.03955	0.3
166.18234	0.1
166.46169	0.1
173.04497	0.2
179.03477	0.1
191.05594	0.3
195.06630	1.9
196.06906	0.1
225.87860	0.1
305.21625	0.1
349.20383	0.3
511.22974	0.7
512.22601	0.1
524.16858	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	511.22
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51400	0.2
57.50221	0.2
59.01264	3.8
60.67419	0.2
61.98716	11.8
62.98429	0.2
63.99152	0.2
64.18563	0.2
68.99698	0.2
69.03352	0.5
71.01267	2.2
71.33088	0.5
72.99198	0.2
73.02846	0.5
73.18489	0.2
77.74365	0.2
82.81960	0.2
83.01263	0.4
85.02831	1.1
87.00776	1.8
89.02341	1.1
93.03413	0.5
94.20153	0.2
95.01270	0.2
97.02866	0.3
97.67177	0.2
97.93601	0.2
99.04450	0.2
101.02347	1.0
104.94222	0.2
105.03370	0.4
107.04935	0.4
109.02890	0.5
109.64153	0.2
111.04389	0.3
113.02357	1.0
117.03439	1.1
117.77596	0.2
119.03354	0.3
121.02856	0.3
123.04449	0.4
132.02083	1.4
133.02881	32.4
134.03268	1.2
135.04442	14.1
136.04807	0.6
137.02373	0.6
145.02901	0.5
147.04440	0.6
149.02336	0.3
161.02386	100.0
162.01384	0.2
162.02719	5.6
163.03984	0.7
167.03516	0.5
173.04597	0.4
177.01923	0.8
177.05608	0.3
178.02744	0.2
179.03447	9.5
180.03789	0.3
181.04991	0.6
183.02921	0.5
187.13350	0.2
191.05556	2.0
192.06024	0.2
201.04016	0.6
221.04579	0.2
271.02527	0.3
281.06610	0.3
286.75986	0.2
298.20038	0.2
305.21201	0.6
331.19135	0.6
349.20239	0.6
363.07309	2.3
465.50562	0.3
467.19299	0.2
511.12781	4.8
511.21884	48.4
512.13177	0.9
512.22211	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	511.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68840	0.5
55.01775	1.1
57.03326	1.3
58.00466	0.9
59.00991	1.0
59.01265	14.0
61.98712	0.8
67.01784	0.7
69.03345	1.7
71.01273	9.5
71.04904	1.4
71.55804	1.0
72.99191	1.0
73.02821	2.4
75.00706	0.8
78.95791	0.8
80.02544	0.8
81.03376	0.6
83.01265	1.9
83.04916	1.6
85.02853	5.4
87.00780	3.0
87.04411	5.2
89.02345	3.6
93.03360	8.4
95.01292	1.4
95.04931	0.8
97.02844	4.5
97.06479	1.3
99.00826	0.9
99.04437	1.1
101.02346	5.6
105.03379	1.2
107.04906	2.0
108.02081	28.8
109.02847	1.8
111.00828	1.0
111.04417	3.0
113.02379	3.8
115.03902	0.9
117.03401	0.7
119.03405	0.9
119.04950	0.8
121.02874	2.7
123.04443	13.0
123.08062	3.1
125.02338	1.9
125.06051	0.7
125.09643	3.0
127.03913	0.6
127.07569	5.4
132.02072	1.8
133.02890	24.9
133.03943	1.6
134.03743	2.7
135.04451	62.4
136.04785	3.3
137.02362	3.5
137.05974	0.8
137.09677	3.7
137.82286	0.8
139.03943	0.8
139.07565	1.1
149.02377	2.3
151.11188	0.9
152.01093	64.2
153.01535	2.8
155.03433	2.1
155.10715	18.7
159.06602	1.0
160.86899	0.6
161.02393	55.7
162.02771	2.9
163.02803	0.7
163.03999	1.1
163.11264	1.1
167.03447	100.0
167.10767	1.3
168.03815	5.1
169.12247	1.1
173.04523	6.2
177.01762	4.1
177.03166	1.5
179.03456	25.6
179.10733	2.1
181.08694	2.7
181.12274	0.7
183.10254	0.7
187.09729	6.1
191.05592	25.9
191.07152	4.3
191.10692	1.4
192.05902	0.9
193.04959	1.1
195.06554	1.1
195.10390	1.3
199.09726	28.3
200.10167	1.6
205.08675	4.4
211.07652	2.2
211.09697	1.7
213.11285	1.1
221.08195	1.4
223.09747	1.0
225.11330	1.5
229.10747	1.3
237.05464	0.8
237.11131	0.8
241.10846	9.7
244.29109	0.6
253.10838	4.7
255.12422	1.7
263.03531	16.1
264.04099	1.0
265.05106	1.5
269.07376	0.6
271.11868	4.0
283.11929	13.3
284.12369	0.7
287.20370	0.7
289.01553	0.6
291.03186	1.0
292.20172	0.6
293.04709	1.5
295.06253	0.8
305.01028	2.5
305.21313	2.2
306.01596	1.4
309.04028	0.8
313.18274	2.0
331.14240	1.9
331.19220	21.2
332.19553	3.4
333.00531	3.8
334.01324	3.9
335.02008	42.4
336.02533	0.8
337.03574	1.4
338.04181	0.6
339.05161	1.5
343.14014	7.3
347.18781	0.7
349.05795	1.8
349.20282	10.1
349.56180	0.8
350.06549	2.5
350.20529	1.2
353.08798	6.1
373.20178	1.5
391.21124	1.6
421.22437	2.3
430.07474	2.1
430.57407	1.6
431.02325	0.5
431.08084	11.4
451.23471	2.3
467.19403	9.7
468.19965	1.5
493.24533	2.3
511.09439	1.4
511.18289	1.3
511.26404	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	511.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68840	0.5
55.01775	1.1
57.03326	1.3
58.00466	0.9
59.00991	1.0
59.01265	14.0
61.98712	0.8
67.01784	0.7
69.03345	1.7
71.01273	9.5
71.04904	1.4
71.55804	1.0
72.99191	1.0
73.02821	2.4
75.00706	0.8
78.95791	0.8
80.02544	0.8
81.03376	0.6
83.01265	1.9
83.04916	1.6
85.02853	5.4
87.00780	3.0
87.04411	5.2
89.02345	3.6
93.03360	8.4
95.01292	1.4
95.04931	0.8
97.02844	4.5
97.06479	1.3
99.00826	0.9
99.04437	1.1
101.02346	5.6
105.03379	1.2
107.04906	2.0
108.02081	28.8
109.02847	1.8
111.00828	1.0
111.04417	3.0
113.02379	3.8
115.03902	0.9
117.03401	0.7
119.03405	0.9
119.04950	0.8
121.02874	2.7
123.04443	13.0
123.08062	3.1
125.02338	1.9
125.06051	0.7
125.09643	3.0
127.03913	0.6
127.07569	5.4
132.02072	1.8
133.02890	24.9
133.03943	1.6
134.03743	2.7
135.04451	62.4
136.04785	3.3
137.02362	3.5
137.05974	0.8
137.09677	3.7
137.82286	0.8
139.03943	0.8
139.07565	1.1
149.02377	2.3
151.11188	0.9
152.01093	64.2
153.01535	2.8
155.03433	2.1
155.10715	18.7
159.06602	1.0
160.86899	0.6
161.02393	55.7
162.02771	2.9
163.02803	0.7
163.03999	1.1
163.11264	1.1
167.03447	100.0
167.10767	1.3
168.03815	5.1
169.12247	1.1
173.04523	6.2
177.01762	4.1
177.03166	1.5
179.03456	25.6
179.10733	2.1
181.08694	2.7
181.12274	0.7
183.10254	0.7
187.09729	6.1
191.05592	25.9
191.07152	4.3
191.10692	1.4
192.05902	0.9
193.04959	1.1
195.06554	1.1
195.10390	1.3
199.09726	28.3
200.10167	1.6
205.08675	4.4
211.07652	2.2
211.09697	1.7
213.11285	1.1
221.08195	1.4
223.09747	1.0
225.11330	1.5
229.10747	1.3
237.05464	0.8
237.11131	0.8
241.10846	9.7
244.29109	0.6
253.10838	4.7
255.12422	1.7
263.03531	16.1
264.04099	1.0
265.05106	1.5
269.07376	0.6
271.11868	4.0
283.11929	13.3
284.12369	0.7
287.20370	0.7
289.01553	0.6
291.03186	1.0
292.20172	0.6
293.04709	1.5
295.06253	0.8
305.01028	2.5
305.21313	2.2
306.01596	1.4
309.04028	0.8
313.18274	2.0
331.14240	1.9
331.19220	21.2
332.19553	3.4
333.00531	3.8
334.01324	3.9
335.02008	42.4
336.02533	0.8
337.03574	1.4
338.04181	0.6
339.05161	1.5
343.14014	7.3
347.18781	0.7
349.05795	1.8
349.20282	10.1
349.56180	0.8
350.06549	2.5
350.20529	1.2
353.08798	6.1
373.20178	1.5
391.21124	1.6
421.22437	2.3
430.07474	2.1
430.57407	1.6
431.02325	0.5
431.08084	11.4
451.23471	2.3
467.19403	9.7
468.19965	1.5
493.24533	2.3
511.09439	1.4
511.18289	1.3
511.26404	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	511.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	3.6
69.53197	2.1
69.57039	0.2
71.01270	1.0
73.02837	0.7
78.95787	1.2
85.02839	0.5
89.03854	0.3
94.56318	0.3
98.19732	0.3
99.08075	1.3
101.02345	0.9
105.03371	0.6
110.98431	0.8
113.02332	0.7
117.03392	0.7
121.89126	0.2
132.02109	1.7
133.02878	35.6
134.03278	1.1
135.04454	8.3
136.04834	0.4
137.02383	0.8
139.03929	0.3
159.04488	0.7
161.02385	100.0
162.02730	5.5
167.01134	0.4
171.10245	1.5
178.66882	0.3
179.03444	4.1
185.02147	0.8
192.80742	0.3
193.12280	1.6
203.03433	0.6
211.13263	0.4
219.18729	0.3
225.14996	2.8
243.16043	0.8
342.56094	0.3
343.24942	8.1
344.25287	1.1
425.18225	2.8
467.19302	55.5
468.19629	8.3
511.26822	5.3
512.26965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36825	0.1
59.00989	0.2
59.01265	2.5
60.74130	0.2
61.98720	2.2
66.24989	0.1
69.03338	0.9
71.01263	0.8
71.04905	0.2
71.57486	0.2
81.03374	0.2
83.01315	0.3
83.04908	0.2
85.02846	0.9
85.08205	0.1
87.00774	6.6
89.02339	0.2
89.03861	0.2
93.03371	0.9
95.04927	0.2
97.02858	1.9
101.02341	0.4
105.03378	0.5
107.04940	0.4
108.02099	0.2
109.02850	0.6
111.00806	0.4
111.04436	0.4
113.02396	0.4
115.01849	0.2
117.03384	3.2
118.03688	0.2
119.04946	6.2
120.05249	0.2
120.71797	0.2
121.02892	1.6
123.04446	0.2
123.08094	0.2
129.01842	1.1
131.04974	0.2
132.02109	1.9
133.02887	34.0
134.03265	1.2
135.04454	17.4
136.04776	0.9
137.02394	0.6
139.03954	0.3
143.04929	0.9
145.02898	10.1
146.03215	0.2
147.04468	2.5
148.04901	0.2
160.01543	0.2
161.02397	100.0
162.01340	0.2
162.02736	4.8
163.03964	10.4
164.04306	0.5
169.06587	0.2
173.04582	0.2
175.03947	0.2
178.02679	0.3
179.03468	17.2
180.03839	1.1
183.02940	0.5
185.06090	0.2
187.03926	0.4
189.05603	0.3
191.05630	1.1
191.17940	0.1
192.05843	0.2
199.07693	0.2
201.04041	3.3
203.03523	0.3
205.08923	0.1
215.07159	0.4
233.04539	0.3
259.06100	0.3
274.17480	0.2
285.08255	0.2
305.21320	0.4
319.08331	0.3
323.07877	0.2
331.19101	0.3
347.08167	0.2
349.09451	0.7
349.16547	0.2
349.20288	0.8
353.16489	0.1
363.07318	2.4
364.07498	0.3
365.18253	0.4
389.08893	0.3
391.17676	0.2
413.32767	0.2
422.15576	0.1
423.11023	0.8
449.12762	0.3
511.12585	17.5
512.12982	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	511.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
58.00455	0.3
58.89879	0.4
59.01267	7.0
65.03854	1.1
69.03340	4.3
69.26840	2.4
69.27270	1.6
70.59982	0.3
71.01266	5.1
72.99204	0.6
73.02840	1.1
78.86671	0.3
81.03333	0.7
83.01286	0.7
83.04919	1.0
85.02853	1.6
87.00764	3.2
89.02335	3.0
93.03344	4.0
95.01322	0.7
95.04906	0.6
97.02869	4.3
98.20567	0.8
100.50928	0.4
101.02327	2.5
107.60576	0.4
108.25992	0.4
109.02893	1.3
111.00802	0.7
111.04415	0.6
113.02357	1.8
117.03380	22.1
118.03718	1.4
119.03482	1.6
119.04943	56.8
120.05283	2.6
121.02865	2.9
123.04456	0.9
123.08136	0.4
125.88815	0.4
129.01814	0.4
133.02879	4.0
133.06563	0.4
134.03654	1.1
135.04439	1.5
137.02332	0.6
139.03937	0.6
141.01888	3.6
145.02887	100.0
146.03215	4.6
147.04437	0.6
150.41321	0.4
153.01894	1.0
155.03413	0.4
156.05746	0.6
157.06487	1.0
161.02396	6.8
161.04526	0.6
161.06012	0.6
162.03113	1.2
163.03957	52.2
164.04291	3.3
171.08110	1.0
173.04517	1.0
175.03928	0.6
179.03438	1.1
179.05528	0.7
183.02849	0.5
185.06116	0.5
191.05611	1.5
193.04974	0.9
195.06635	0.6
199.07613	5.5
199.54866	0.4
201.04005	3.7
201.05434	0.4
203.07147	0.9
205.05107	1.0
215.07086	0.8
226.28123	0.4
227.07184	1.0
229.08632	0.4
243.06563	2.1
255.06729	0.5
259.09644	0.4
261.07736	0.7
273.07779	0.6
303.08813	24.9
304.09225	2.2
326.23569	0.3
331.19263	0.8
335.02017	0.5
347.07785	32.7
348.08148	3.9
349.20306	1.7
470.92117	0.4
511.26181	6.8
512.06128	0.4
512.25970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.4
59.01263	5.1
61.75763	0.2
61.98718	100.0
69.03351	0.3
71.01270	2.3
71.04917	1.9
71.58061	0.4
72.99223	0.3
73.02831	0.5
75.00762	0.2
82.93124	0.2
85.02853	1.2
87.00797	0.7
89.02335	1.5
93.03349	1.4
95.01302	0.6
96.95892	0.4
97.02865	0.8
99.04449	0.6
99.94884	0.2
101.02340	1.3
107.04970	0.3
108.02087	0.2
109.02902	0.5
111.04454	0.4
113.02386	1.1
119.03464	0.5
119.04967	0.7
121.02849	0.3
122.03681	0.3
123.04453	0.5
123.08086	6.0
123.08918	0.4
125.02363	0.2
127.07549	2.0
133.02890	1.8
134.03726	0.3
135.04456	2.1
137.02414	0.7
145.02916	0.7
149.02361	0.2
155.03476	0.2
160.01613	0.3
161.02412	3.7
161.09714	0.4
163.03979	0.7
163.11331	0.6
173.04565	1.0
175.04051	0.5
175.11313	0.3
177.01955	0.7
179.03479	1.4
179.05699	0.4
181.08727	0.6
181.12439	0.4
182.08992	0.3
191.05597	5.3
191.07196	1.0
191.14513	0.3
192.05980	0.4
205.08734	0.6
209.11893	0.3
211.07619	0.5
255.06865	0.3
258.86804	0.2
264.07648	0.2
273.07947	0.3
284.26044	0.2
287.20279	2.5
304.49127	0.3
305.21277	6.1
317.06854	0.3
328.20663	0.2
331.19229	5.8
333.20752	0.3
347.18683	1.7
348.19040	3.4
349.20276	17.8
353.08945	0.7
372.19159	0.8
373.20337	0.9
391.21750	0.3
399.12845	0.3
429.11218	0.3
450.23331	0.4
510.24176	0.2
511.26422	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.8
60.01597	0.3
61.98718	100.0
62.98433	0.2
71.56515	0.3
75.00787	0.2
78.91763	0.2
78.95801	0.4
81.03376	0.5
85.02840	0.2
87.00784	0.4
96.95918	0.2
99.04427	0.8
101.02399	0.2
133.02887	0.4
135.04463	0.3
139.42203	0.1
152.99593	0.2
161.02417	0.6
171.10220	0.3
179.03485	0.2
191.05635	0.4
207.10326	0.2
209.11884	0.3
225.11331	0.2
240.98705	0.1
241.01294	0.2
242.02232	0.2
288.50046	0.2
429.23016	0.4
507.48712	0.2
511.16220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35597	0.1
53.82440	0.1
59.01274	1.1
61.98720	100.0
62.98424	0.1
63.32252	0.1
69.03312	0.2
71.01279	0.5
73.02841	0.2
85.02872	0.2
89.02339	0.5
90.02689	0.1
90.78345	0.1
93.03387	0.2
98.20815	0.1
101.02348	0.3
113.02407	0.2
117.03377	0.2
119.04931	0.6
127.07595	0.5
145.02885	0.8
149.04491	0.3
163.04001	0.7
173.04601	0.4
191.05573	0.5
191.07208	0.4
203.19978	0.1
205.08792	0.5
211.07719	0.2
313.18549	0.2
319.08307	0.2
331.19211	2.3
332.23770	0.2
349.20267	1.8
373.20541	0.3
450.23447	0.4
511.25119	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	509.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.4
57.03333	0.5
59.01266	100.0
60.01595	1.1
61.98719	1.7
64.66020	0.2
65.45348	0.2
71.01273	7.6
71.04963	0.2
71.57863	0.2
71.58253	0.2
72.99196	0.2
73.02842	1.7
74.14742	0.2
82.42718	0.2
83.01295	0.8
85.02850	3.2
86.00047	0.2
87.00782	0.4
89.02361	0.5
95.01308	0.4
97.02840	0.4
99.00797	0.8
99.04434	0.2
101.02349	4.0
113.02360	2.4
125.02330	0.3
143.03433	0.3
144.08340	0.2
145.02853	0.2
159.03000	0.7
161.04510	2.5
189.09203	0.2
191.05612	0.4
209.11859	0.3
236.14120	0.2
333.20856	2.9
334.21329	0.4
338.37842	0.2
401.10312	0.2
405.22763	0.3
449.29559	0.7
453.90790	0.2
467.30280	2.1
468.30945	0.3
476.52280	0.2
509.31573	0.2
511.29288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2898
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
54.79414	0.6
54.97019	0.6
59.01267	1.1
59.46025	0.7
71.61111	1.2
78.95801	18.9
85.09866	0.5
89.78291	0.6
96.96883	2.2
109.02938	0.9
113.34047	0.6
118.00889	0.6
152.99538	31.5
171.00613	1.5
227.03239	4.1
245.04419	2.3
281.24933	100.0
282.25287	12.7
417.24188	1.3
435.17377	0.6
509.28979	73.0
510.29398	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	509.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.9
61.98692	0.3
69.93732	1.9
78.95792	9.4
96.96857	0.7
107.55066	0.3
152.99525	16.3
153.99861	0.4
161.02356	0.4
171.00630	0.7
190.23347	0.4
196.89513	0.5
209.23613	0.3
227.03249	2.6
245.04398	1.8
256.23669	0.4
281.24905	100.0
282.25272	12.3
417.23761	0.3
422.50992	0.4
509.28955	40.1
510.29242	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	509.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.4
57.03333	0.5
59.01266	100.0
60.01595	1.1
61.98719	1.7
64.66020	0.2
65.45348	0.2
71.01273	7.6
71.04963	0.2
71.57863	0.2
71.58253	0.2
72.99196	0.2
73.02842	1.7
74.14742	0.2
82.42718	0.2
83.01295	0.8
85.02850	3.2
86.00047	0.2
87.00782	0.4
89.02361	0.5
95.01308	0.4
97.02840	0.4
99.00797	0.8
99.04434	0.2
101.02349	4.0
113.02360	2.4
125.02330	0.3
143.03433	0.3
144.08340	0.2
145.02853	0.2
159.03000	0.7
161.04510	2.5
189.09203	0.2
191.05612	0.4
209.11859	0.3
236.14120	0.2
333.20856	2.9
334.21329	0.4
338.37842	0.2
401.10312	0.2
405.22763	0.3
449.29559	0.7
453.90790	0.2
467.30280	2.1
468.30945	0.3
476.52280	0.2
509.31573	0.2
511.29288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.9
59.01265	100.0
60.01603	1.9
61.98719	30.4
69.03345	2.2
69.09736	0.6
69.92728	2.9
71.01272	7.6
71.04915	1.0
73.02851	1.0
75.00797	0.9
83.04927	1.4
85.02872	1.5
87.00785	1.4
87.04432	0.6
89.02339	0.9
93.03368	2.6
97.02869	1.1
99.04420	19.9
99.92538	0.6
100.04790	1.2
101.02328	1.1
109.06530	1.3
111.04477	1.1
111.08131	0.6
113.02361	1.5
115.03961	1.0
117.05514	0.9
133.02937	0.7
135.04454	1.9
138.45290	0.6
141.16322	0.6
142.39911	0.6
161.02423	1.9
171.10161	0.8
173.04538	1.4
179.03479	1.2
189.09294	0.8
191.05627	2.4
207.10245	1.7
209.11829	3.7
225.11357	2.2
245.12027	0.9
275.16656	4.1
305.21301	0.8
311.22504	0.7
331.19485	0.7
333.20789	20.5
334.21222	2.4
391.21567	0.8
405.22705	0.9
449.25714	3.0
509.28452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77771	0.3
54.74748	0.3
59.01264	100.0
60.01600	1.4
61.98721	6.9
69.03347	0.6
69.05785	0.3
69.39278	2.8
71.01270	13.1
73.02843	0.3
80.64500	0.3
83.01290	0.4
83.04915	0.5
85.02868	0.8
87.00771	0.6
87.04414	0.3
89.02305	0.7
93.03373	0.6
95.20983	0.4
97.02890	0.7
97.06506	0.4
99.04414	0.6
101.02328	0.3
101.05975	0.4
109.02911	0.4
111.04383	0.4
113.02338	0.4
115.03948	0.6
120.99579	0.4
123.08160	0.3
133.04993	0.4
135.00824	0.8
135.04459	0.4
145.37321	0.3
161.04555	0.4
162.31644	0.3
175.92467	0.3
189.09239	0.9
191.05649	0.8
192.64998	0.3
265.67413	0.3
315.19897	0.8
333.20779	26.4
334.21155	3.8
361.20380	0.8
401.09546	0.3
405.22855	2.0
406.18005	0.3
418.32404	0.3
486.26746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06082	0.4
52.00299	0.4
57.03358	0.7
59.01265	100.0
60.01595	1.4
61.98720	14.0
69.03349	0.7
69.64297	0.5
71.01270	15.3
71.04890	0.6
71.55992	0.8
72.99194	0.5
82.26070	0.5
85.02838	1.0
87.00780	1.3
89.02343	0.8
93.03368	1.7
97.02904	0.6
99.04434	2.2
101.02333	0.7
111.04435	0.7
113.02421	0.8
115.03976	0.6
121.02869	0.5
121.06567	0.7
133.02901	1.8
134.03702	0.6
135.04466	1.7
161.02412	2.3
162.02815	0.4
163.07616	0.6
173.04543	1.0
178.02686	0.5
179.03447	1.4
189.09230	1.0
191.05632	1.9
215.89713	0.5
271.02512	0.5
285.04663	0.5
313.03735	0.6
315.05228	0.8
315.19641	0.8
333.20792	27.0
334.21222	3.4
339.05219	0.6
361.20587	0.6
391.96872	0.5
405.22919	2.6
491.19687	0.7
509.20761	0.6
509.31174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08760	0.3
59.01266	100.0
60.01605	1.3
61.98717	17.9
69.03367	0.5
69.37441	1.2
69.37887	1.7
71.01272	15.0
71.04937	0.4
78.95811	0.3
83.04919	0.5
85.02880	0.7
87.00783	0.7
88.98688	0.3
89.02361	1.2
89.73689	0.3
93.03365	1.0
97.02888	0.8
97.06531	0.4
99.04441	1.9
109.02889	0.5
109.06501	0.4
111.04468	0.6
113.02399	0.4
113.05996	0.4
115.03926	0.6
121.06525	0.6
133.05040	0.5
134.03671	0.5
135.04472	0.8
145.02892	0.4
151.11296	0.5
157.07007	0.3
161.02464	0.4
163.11288	0.4
171.10258	0.4
173.04503	0.6
175.04065	0.3
179.03497	0.7
189.09209	0.6
189.12743	0.4
191.05687	1.0
201.11337	0.5
207.10260	1.0
209.11913	1.3
225.11386	0.8
227.13039	0.4
289.21799	0.4
305.45795	0.3
313.18179	0.5
315.19971	1.2
317.21393	1.0
331.19183	0.4
333.20786	25.0
334.21149	3.2
347.18750	0.4
351.21643	0.4
361.20563	1.0
405.22858	1.7
491.19739	0.3
491.26685	0.5
509.28030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
59.01265	100.0
60.01607	1.4
61.98719	10.1
69.03358	0.5
71.01271	9.2
73.02834	0.4
76.92834	0.3
78.95814	0.8
80.07504	0.4
83.04923	0.7
85.02866	1.2
87.00802	0.9
87.04430	0.4
89.02361	0.7
93.03385	0.9
97.02856	0.9
97.06525	0.4
99.04419	9.7
101.02362	0.5
102.92191	0.4
109.02868	0.4
111.04471	0.5
113.02347	0.8
115.03931	0.8
119.04945	0.6
123.08108	0.4
125.09653	0.4
126.01804	0.4
126.57063	0.4
133.04994	0.4
135.04457	0.6
145.02856	0.4
158.36412	0.4
161.02443	0.5
171.72481	0.4
173.04529	0.8
189.07561	0.4
189.09213	1.2
191.05635	1.4
207.10330	0.4
209.11888	1.2
225.11375	0.9
227.12897	0.5
271.02612	0.4
299.02130	0.4
315.19983	1.0
333.20789	27.8
334.21075	3.3
347.18777	0.5
349.20276	0.5
351.21774	1.7
367.21448	0.9
405.23029	1.2
449.25558	1.2
473.26263	0.4
509.27130	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	509.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00710	0.8
53.89983	0.7
56.09252	0.9
57.03320	0.9
59.01266	62.1
60.01594	2.3
61.98719	36.5
69.03335	0.9
71.01277	2.0
71.04902	1.7
71.56532	1.3
72.99202	1.3
75.00771	5.7
78.95794	3.2
83.01301	0.8
83.04926	1.7
84.02066	1.6
85.02833	3.3
87.00785	2.6
93.03368	6.0
96.96903	0.9
97.02847	1.8
99.00793	1.2
99.04423	100.0
100.04786	2.3
101.05994	4.9
102.63529	0.8
109.02861	1.0
109.06480	1.1
111.08070	0.9
113.06001	2.0
115.03936	3.2
117.03374	0.9
123.08071	1.4
124.01583	1.2
127.03905	1.0
133.02914	9.1
134.03622	1.1
135.04465	7.9
137.02377	2.1
145.02777	1.0
152.99594	1.4
155.03415	1.1
160.84167	2.6
161.02390	13.7
162.02766	1.0
163.11263	1.6
171.10306	1.4
173.04509	7.6
177.01906	1.7
179.03397	4.7
180.03902	1.1
191.05605	9.0
199.03931	1.2
207.10292	1.6
209.11757	6.4
225.11298	2.3
227.03535	1.5
227.12881	1.9
243.02986	1.4
255.02997	2.4
271.02548	9.9
272.02933	3.2
283.02631	2.3
295.22852	1.4
299.02032	11.9
300.02658	9.8
301.03134	2.3
305.88980	0.9
329.17462	1.5
337.03595	1.3
389.23553	7.4
391.24994	33.5
392.25250	5.4
394.91638	1.0
421.26154	1.2
431.24249	1.4
447.23788	1.2
449.25565	36.3
450.26077	6.0
473.25595	1.1
498.09250	0.8
503.72641	0.9
509.27444	2.6
509.34949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91641	2.9
52.68453	2.7
53.85391	2.5
53.99182	2.5
56.71156	2.7
57.03336	3.5
59.01268	24.5
61.98721	4.0
69.03336	6.2
71.57999	3.3
71.58394	3.6
75.69180	3.2
78.95805	12.6
87.00769	29.0
136.97295	2.8
152.99533	13.3
275.23782	8.4
279.23367	4.1
281.24921	100.0
282.25323	9.6
301.21820	11.2
319.22916	14.2
325.00452	3.0
326.49988	3.1
389.23380	10.0
509.28943	33.8
510.29245	6.3
514.10303	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	509.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.5
57.03314	0.6
59.01268	9.4
69.03307	0.5
71.01277	5.6
71.04912	22.3
72.01578	0.3
72.05207	0.5
72.99161	0.5
73.02795	1.4
75.00763	5.3
81.03309	0.4
82.86759	0.3
83.01231	0.4
83.04897	1.0
85.02848	2.2
87.00729	0.9
88.98656	0.4
89.02351	3.5
93.03336	0.8
95.01262	0.8
97.02271	0.8
97.02851	10.7
99.00768	0.5
101.02349	2.8
107.04906	0.7
109.02856	2.6
109.06465	0.5
111.04381	1.6
113.02363	3.4
115.00211	0.7
119.03368	1.4
119.04864	0.6
121.06451	1.2
121.10119	0.4
123.08083	26.2
124.08359	1.4
125.09607	0.4
127.07576	9.3
133.10153	2.6
135.04459	0.5
137.02318	0.6
145.10146	1.1
147.02869	0.5
147.08034	0.4
149.09631	0.5
161.04568	0.7
161.06017	0.5
161.09715	2.1
163.07535	0.4
163.11174	0.6
163.95387	0.4
165.05493	1.2
173.09633	0.7
175.07524	1.2
175.11099	0.4
177.09125	1.3
177.12805	0.9
179.05562	0.5
181.08685	0.8
181.31786	0.4
186.10323	0.4
189.09196	21.5
190.09464	1.7
191.05550	1.6
191.07104	11.1
192.07417	0.7
201.12831	0.9
203.07045	0.5
205.08698	10.9
206.09206	1.1
207.10158	0.6
215.14442	0.5
217.08653	0.5
217.15971	2.2
219.13878	5.4
220.14133	0.6
221.08122	1.7
231.13945	2.0
237.14946	0.4
243.13760	1.0
243.17613	0.9
245.11885	5.3
245.15549	0.6
246.12189	0.6
259.13416	0.9
259.20685	0.8
261.14963	1.1
263.12979	8.5
264.13272	0.6
267.17581	0.5
275.12933	4.4
277.14362	0.7
283.20618	0.4
285.18661	2.6
286.18985	0.5
287.12894	2.1
287.16251	0.4
289.14523	1.2
303.19736	5.6
304.19894	0.5
311.16544	1.0
327.19846	2.4
329.17654	60.6
330.18005	8.0
343.19177	1.3
347.18719	100.0
348.19077	10.7
359.18616	0.6
361.20349	2.5
371.18741	12.8
372.19147	1.6
383.18729	0.8
389.19843	5.9
390.20169	0.7
401.19775	1.3
413.20209	0.5
419.20914	2.6
509.23993	12.1
510.24020	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04096	0.4
55.01738	0.7
57.03310	0.6
59.01270	8.6
61.98716	5.0
69.03309	1.3
69.34200	4.2
71.01268	7.4
71.04906	17.0
72.99162	0.9
73.02808	1.8
75.00765	8.2
81.03301	0.7
83.01266	0.6
83.04891	0.9
85.02855	3.0
87.51626	0.4
89.02345	2.7
93.03303	1.3
95.01242	1.2
97.02272	0.9
97.02845	10.6
97.06460	0.7
98.19823	1.1
98.20477	1.2
99.00745	0.5
99.04408	0.8
101.02340	4.2
105.01797	0.7
107.04894	0.6
109.02840	2.6
111.04433	2.5
113.02357	4.5
119.03394	1.0
119.04884	0.4
121.06464	2.0
123.04388	1.0
123.08077	38.9
124.08359	1.5
125.09628	0.5
127.07580	4.9
131.03389	0.8
133.02814	0.8
133.10098	1.3
135.04387	1.4
147.02892	0.8
147.08124	0.7
159.08029	0.6
161.02286	1.3
161.04489	0.6
161.09692	2.6
163.11153	0.7
163.30936	0.5
165.05530	0.6
173.04501	0.7
175.07527	1.9
177.09232	0.7
177.12784	1.2
179.03464	1.1
179.10799	0.7
181.08591	0.6
189.07495	0.5
189.09184	12.8
190.09454	1.4
191.05539	2.4
191.07098	16.8
192.07468	0.5
201.12750	1.5
203.07027	0.6
203.10687	0.9
205.08672	18.2
206.09183	1.5
215.10646	0.5
215.14343	0.9
217.08751	1.0
217.15947	1.1
219.13858	2.9
221.08154	1.9
231.13892	1.3
243.03036	0.9
243.13889	1.2
243.17511	0.8
245.11842	3.0
259.13400	2.1
259.20691	0.6
261.14917	0.7
263.12930	4.3
271.02527	0.9
275.12909	2.5
277.14456	1.1
283.20721	0.9
285.18628	2.4
287.13004	4.7
287.16086	0.9
288.13333	0.8
289.14502	1.1
299.13000	0.7
299.20151	0.5
303.19720	4.6
311.16553	0.5
313.03568	0.8
314.04330	2.0
315.05161	0.7
322.04730	0.7
327.19620	4.7
328.19968	0.5
329.17642	100.0
330.17966	12.4
330.21600	1.0
330.59741	0.5
332.32291	0.5
341.17429	0.7
343.19128	3.4
347.18701	65.5
348.19003	8.1
353.17682	0.6
359.18835	0.5
361.20276	4.6
362.20377	0.8
371.18707	28.7
372.18915	3.1
383.18729	2.2
389.19781	17.3
390.20221	2.3
401.19751	2.2
419.20834	3.0
449.22910	2.2
455.91586	0.6
509.23679	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75142	0.1
55.34080	0.1
57.03328	0.2
59.01265	4.7
61.98714	0.6
70.37654	0.2
70.99608	0.3
70.99957	0.4
71.01262	1.8
73.02846	0.9
75.00761	0.2
78.95796	0.4
81.99481	0.2
83.01265	0.4
85.02834	0.8
86.04269	0.2
87.00778	0.4
89.02371	0.8
89.03911	0.2
93.03354	0.8
94.18002	0.1
96.95910	0.2
99.04440	0.2
99.37456	0.2
101.02341	1.0
105.03374	0.6
107.04942	0.2
111.04390	0.2
113.02367	0.5
115.01812	0.2
117.03400	0.7
119.03434	0.3
119.04932	0.3
121.02881	0.6
123.04463	0.4
132.02106	2.1
133.02881	36.9
134.03557	1.5
135.04453	10.6
136.04788	0.5
137.02374	0.8
139.03938	0.3
144.66127	0.2
145.02901	0.7
147.04494	0.3
151.07759	0.2
159.04483	0.7
160.01505	0.2
161.02390	100.0
162.02721	5.7
163.03954	0.3
173.04495	0.5
177.01860	0.8
178.02698	0.3
179.03467	5.5
180.03793	0.2
183.13841	0.2
183.96797	0.2
191.05608	1.9
193.05028	0.3
197.63217	0.2
203.03461	0.5
211.13278	0.2
268.20233	0.2
335.37817	0.2
341.23447	1.6
347.18481	0.2
353.08862	0.3
419.19864	0.2
423.16733	2.7
424.16995	0.4
465.17743	49.6
466.18091	8.2
509.20306	1.7
509.26212	0.6
523.15948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75142	0.1
55.34080	0.1
57.03328	0.2
59.01265	4.7
61.98714	0.6
70.37654	0.2
70.99608	0.3
70.99957	0.4
71.01262	1.8
73.02846	0.9
75.00761	0.2
78.95796	0.4
81.99481	0.2
83.01265	0.4
85.02834	0.8
86.04269	0.2
87.00778	0.4
89.02371	0.8
89.03911	0.2
93.03354	0.8
94.18002	0.1
96.95910	0.2
99.04440	0.2
99.37456	0.2
101.02341	1.0
105.03374	0.6
107.04942	0.2
111.04390	0.2
113.02367	0.5
115.01812	0.2
117.03400	0.7
119.03434	0.3
119.04932	0.3
121.02881	0.6
123.04463	0.4
132.02106	2.1
133.02881	36.9
134.03557	1.5
135.04453	10.6
136.04788	0.5
137.02374	0.8
139.03938	0.3
144.66127	0.2
145.02901	0.7
147.04494	0.3
151.07759	0.2
159.04483	0.7
160.01505	0.2
161.02390	100.0
162.02721	5.7
163.03954	0.3
173.04495	0.5
177.01860	0.8
178.02698	0.3
179.03467	5.5
180.03793	0.2
183.13841	0.2
183.96797	0.2
191.05608	1.9
193.05028	0.3
197.63217	0.2
203.03461	0.5
211.13278	0.2
268.20233	0.2
335.37817	0.2
341.23447	1.6
347.18481	0.2
353.08862	0.3
419.19864	0.2
423.16733	2.7
424.16995	0.4
465.17743	49.6
466.18091	8.2
509.20306	1.7
509.26212	0.6
523.15948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.4
59.01268	3.1
61.98721	100.0
62.98429	0.2
63.37464	0.2
65.87522	0.2
69.03349	0.2
69.11641	0.2
71.01273	2.1
71.07679	0.4
71.08021	0.2
72.99199	0.4
73.02856	0.6
75.00779	0.2
80.96394	0.3
83.01310	0.3
85.02850	1.0
87.00788	0.4
88.98735	0.3
89.02343	0.7
93.03370	0.7
95.01318	0.2
97.02845	0.2
97.06499	0.2
99.00793	0.4
99.04440	0.2
101.02367	1.1
102.02715	0.2
109.02866	1.1
112.29462	0.2
113.02378	0.8
119.04916	0.3
121.04797	0.2
125.02418	0.3
131.03419	0.2
134.03683	0.3
135.04456	0.4
137.02426	0.4
143.80042	0.2
145.02930	0.3
147.04517	0.2
152.01524	0.2
153.01949	1.4
161.02464	0.3
163.04015	0.3
170.73756	0.2
173.04527	1.0
179.03545	0.4
191.05615	1.6
217.15858	0.3
261.15091	0.6
316.18536	0.2
329.17734	0.3
347.18735	0.8
371.18765	0.4
382.92929	0.2
389.20181	0.2
447.22260	0.3
448.22620	2.6
449.22894	0.2
508.28967	0.3
509.24655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.4
59.01268	3.1
61.98721	100.0
62.98429	0.2
63.37464	0.2
65.87522	0.2
69.03349	0.2
69.11641	0.2
71.01273	2.1
71.07679	0.4
71.08021	0.2
72.99199	0.4
73.02856	0.6
75.00779	0.2
80.96394	0.3
83.01310	0.3
85.02850	1.0
87.00788	0.4
88.98735	0.3
89.02343	0.7
93.03370	0.7
95.01318	0.2
97.02845	0.2
97.06499	0.2
99.00793	0.4
99.04440	0.2
101.02367	1.1
102.02715	0.2
109.02866	1.1
112.29462	0.2
113.02378	0.8
119.04916	0.3
121.04797	0.2
125.02418	0.3
131.03419	0.2
134.03683	0.3
135.04456	0.4
137.02426	0.4
143.80042	0.2
145.02930	0.3
147.04517	0.2
152.01524	0.2
153.01949	1.4
161.02464	0.3
163.04015	0.3
170.73756	0.2
173.04527	1.0
179.03545	0.4
191.05615	1.6
217.15858	0.3
261.15091	0.6
316.18536	0.2
329.17734	0.3
347.18735	0.8
371.18765	0.4
382.92929	0.2
389.20181	0.2
447.22260	0.3
448.22620	2.6
449.22894	0.2
508.28967	0.3
509.24655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3336
Annotation	Lemmasterone
Peak:m/z	Relative Intensity
51.16463	0.6
57.03341	2.8
59.01271	4.0
60.98707	0.5
61.44284	0.5
61.98715	2.3
69.03326	0.7
71.55990	0.7
71.56419	0.7
78.95772	0.7
83.04916	1.3
90.91412	0.6
95.04838	0.5
99.04425	2.9
111.04445	0.8
111.08035	1.3
122.85461	0.6
123.08078	0.6
125.02366	0.7
125.09662	0.6
127.11198	2.2
131.24098	0.6
133.02872	1.2
136.05261	0.8
137.06024	1.0
137.09639	1.9
146.73685	0.6
147.94345	0.6
149.06068	2.7
149.09639	0.6
150.06801	14.7
151.07141	0.9
152.99565	1.0
153.09113	0.8
155.10681	1.6
160.71986	0.6
162.06813	60.9
162.35556	0.5
163.07593	14.6
164.07927	0.7
169.12384	0.8
171.10248	1.0
173.04564	0.9
173.06030	1.5
176.08401	9.8
177.09171	23.8
178.09607	1.2
186.06870	0.7
201.09055	0.9
216.11514	0.9
249.18724	0.6
265.21790	5.6
271.02661	1.2
272.17990	0.6
283.22864	4.3
287.20227	1.7
299.01953	3.3
329.23410	38.8
330.23645	3.8
381.21112	0.9
425.30698	0.8
428.29236	5.0
429.29684	0.8
430.31232	1.3
443.31885	5.9
444.31918	1.0
445.32913	0.8
489.32394	31.7
490.32620	6.7
507.33383	100.0
508.33737	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	507.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85453	0.2
55.01769	0.7
57.03348	0.5
58.00483	0.6
59.01265	100.0
60.01597	1.0
61.98719	0.5
66.37670	0.2
69.03356	1.0
71.01271	24.5
71.04915	0.2
71.58809	0.3
72.01643	0.3
72.99200	1.3
73.02838	27.9
74.03185	0.3
75.00765	0.5
77.69360	0.2
78.95797	0.3
81.03352	0.3
83.01275	8.3
84.01595	0.2
85.02840	3.4
87.00786	0.8
89.02339	7.4
93.03360	0.3
95.01283	1.0
95.82032	0.2
97.02843	0.6
99.00763	0.5
99.04415	1.2
101.02348	25.5
102.02679	0.7
109.06455	0.2
113.02359	10.6
114.02687	0.3
115.03916	2.3
119.03419	3.3
125.02359	1.1
131.03439	2.6
133.02902	0.4
135.04393	0.3
143.03433	2.6
147.02901	0.2
149.04503	2.9
155.03494	1.0
157.70547	0.2
161.02423	1.3
161.04492	5.2
173.04497	0.3
179.05568	0.6
191.05531	0.7
203.05489	0.6
207.10204	0.4
214.81059	0.2
221.06641	0.6
225.11246	0.8
278.84991	0.2
333.20703	0.2
335.56836	0.2
349.20245	0.3
408.08862	0.2
420.17801	0.2
507.22006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.8
57.03341	1.2
58.00476	0.9
58.40878	0.3
59.01264	100.0
60.01604	1.4
60.99213	0.5
61.98714	1.5
65.63567	0.3
66.25919	0.4
69.03355	1.0
71.01269	25.3
71.57061	0.7
72.01648	0.6
72.99211	1.6
73.02837	4.8
76.44201	0.4
78.95818	0.4
81.03374	0.4
83.01276	2.6
84.50039	0.4
85.02843	7.7
87.00780	2.5
88.98708	2.6
89.02338	22.8
90.02696	0.4
93.03367	1.6
95.01297	1.0
97.02876	1.1
99.00803	1.7
101.02346	17.6
111.00816	1.2
111.04409	0.7
113.02352	8.4
119.03407	3.7
119.04978	1.0
121.07648	0.4
125.02370	1.2
129.01912	0.4
131.03432	11.3
131.04402	0.6
132.44514	0.3
133.02911	1.2
134.03638	0.5
135.04488	1.7
137.02391	0.6
137.24396	0.4
140.00502	0.4
143.03481	1.3
145.02901	0.7
149.04500	11.4
160.01517	0.4
161.02417	2.7
161.04471	3.5
162.02803	0.5
163.04008	0.6
173.04549	1.1
177.01991	1.2
177.66141	0.4
179.03526	1.4
179.05525	1.8
186.11253	0.4
191.05571	7.7
192.06119	0.5
200.00452	0.4
233.06693	0.4
243.19690	1.2
251.07462	0.4
267.11420	0.5
289.28662	0.4
313.18054	0.4
315.18243	5.2
316.18738	0.8
331.94861	0.4
339.05191	0.8
345.19250	2.0
353.08923	0.4
363.20422	1.8
387.23965	10.3
388.24515	1.4
405.25003	5.2
406.25391	0.7
447.22369	37.2
448.22733	5.0
468.85626	0.4
507.29153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
56.91535	0.2
57.03341	1.2
58.00481	0.6
59.01265	100.0
60.01603	1.3
60.99203	0.6
61.98720	0.8
63.81123	0.2
66.14353	0.2
69.03355	0.4
71.01269	14.2
71.58538	0.4
72.99201	0.8
73.02837	3.1
75.00774	0.6
77.65781	0.2
77.80484	0.2
83.01291	1.8
84.02915	0.2
85.02843	5.1
85.99984	0.3
87.00772	1.6
88.98697	2.6
89.02337	10.9
93.03361	1.2
94.03739	0.3
95.01307	0.8
95.45455	0.3
97.02892	0.6
99.00807	1.2
99.04417	0.5
101.02349	10.3
101.03013	0.5
102.02657	0.3
109.02901	0.5
111.00809	0.8
111.04456	0.5
113.02362	4.9
115.00299	0.3
115.47560	0.2
119.03435	2.4
119.04950	1.0
121.02927	0.3
125.02381	1.0
129.01886	0.3
131.03429	5.8
133.02927	1.0
134.03720	0.3
135.04480	1.3
137.02411	0.5
143.03471	1.1
145.02895	0.6
149.04501	5.6
159.02963	0.4
161.02400	2.3
161.04501	2.7
162.02740	0.4
163.03976	0.6
173.04500	1.3
175.04063	0.5
179.03490	1.2
179.05580	1.3
191.05579	6.4
192.05963	0.4
201.14964	0.3
243.19704	1.4
286.45587	0.3
313.18298	0.3
315.18207	4.1
339.05246	0.4
340.05505	0.3
345.19257	2.7
346.19431	0.3
353.08838	0.5
354.09354	0.3
363.20377	2.6
364.21155	0.3
387.23950	14.0
388.24210	2.0
405.25049	7.0
406.25339	0.6
447.22241	20.5
448.22504	3.3
507.28259	1.1
508.29547	0.3
525.97662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2821
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
51.92410	0.1
55.01775	3.3
57.03341	2.5
57.29610	0.1
58.00489	1.0
59.01270	19.2
60.01615	0.3
60.99206	0.2
67.01781	0.3
68.99712	0.4
69.03348	1.3
70.46729	0.1
71.01275	43.1
71.04908	0.1
72.01618	0.8
72.99203	2.3
73.02840	20.5
74.03179	0.3
75.00774	1.6
81.03360	0.7
83.01281	7.4
83.04916	0.2
84.01633	0.1
84.02077	0.3
85.02850	22.3
85.99989	1.1
86.03199	0.6
87.00779	2.9
88.98720	0.2
89.02345	8.7
90.02677	0.3
93.03359	1.1
95.01289	2.9
97.02859	2.4
98.03135	0.1
99.00787	8.8
99.04430	0.5
100.01095	0.1
101.02354	35.2
102.02683	0.7
103.03918	0.1
105.03404	0.1
108.02081	0.4
109.02863	0.5
111.00806	1.3
111.04436	0.3
113.02362	16.6
114.02717	0.4
115.00298	0.2
115.03933	1.4
119.03455	0.5
119.04942	1.6
121.02859	0.2
123.00834	0.2
123.04453	0.4
125.02378	3.2
125.05989	0.1
126.02732	0.1
127.03982	0.2
129.01888	1.0
131.03435	2.0
133.02922	0.1
134.03693	0.2
135.04451	0.5
137.02388	0.3
138.01920	0.3
139.00317	0.2
141.01897	0.2
143.03435	1.4
143.04636	0.1
145.02922	0.4
149.04501	1.4
155.03413	0.4
159.02942	2.9
161.04514	11.8
162.04840	0.3
163.03928	0.9
173.04529	1.2
174.04803	0.1
177.01929	0.6
179.03453	0.2
183.10320	0.2
191.05597	3.0
192.05908	0.2
193.05037	0.2
205.03496	0.5
211.07614	0.3
211.17052	0.4
213.18634	0.2
215.05698	0.1
223.07800	0.1
226.06389	0.3
227.07161	0.1
233.06676	2.1
251.07242	0.1
255.10313	0.8
255.19876	0.3
265.08902	0.1
267.07227	0.1
283.19223	0.2
293.08875	1.6
327.08853	0.5
335.12830	0.1
337.09503	0.2
357.09952	0.6
375.23975	27.6
376.24326	3.6
417.24936	0.1
419.22968	1.8
420.23315	0.1
507.28210	100.0
508.28555	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	507.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32234	0.3
51.70578	0.4
53.14617	0.3
57.03340	1.0
57.36176	0.3
57.73497	0.3
59.01266	100.0
59.59226	0.3
60.01609	1.0
61.98719	8.8
65.77352	0.3
66.35138	0.3
69.64332	2.5
71.01250	0.7
73.02847	0.7
75.00775	1.9
78.95817	1.0
83.01326	0.4
85.02847	25.0
86.03228	0.6
87.00780	0.5
93.03362	0.5
97.02860	0.4
97.06501	0.4
99.04415	7.4
100.34322	0.3
101.02370	0.4
111.08081	1.4
113.02383	0.4
113.09650	0.5
115.03963	0.5
119.04978	0.6
133.02908	0.6
145.02934	1.5
152.99501	0.7
161.02435	1.2
173.04625	0.8
189.09250	0.5
191.05614	0.6
209.11824	0.5
293.21286	3.4
315.19864	0.9
316.20236	0.5
333.20792	15.2
334.21222	1.7
365.19650	0.9
413.23526	1.0
419.24527	0.7
433.26138	0.5
447.23886	1.1
489.23096	1.2
507.25494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28474	0.2
69.29367	2.4
72.50977	0.2
78.95793	7.3
96.96886	0.6
152.99530	13.5
171.00566	1.2
211.65327	0.3
227.03328	3.1
245.04318	1.9
261.22171	0.5
279.23355	100.0
280.23697	11.1
280.26782	0.5
300.23532	0.2
357.37384	0.2
507.27390	38.8
508.27689	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74257	0.2
59.01278	1.1
70.67370	0.7
76.23938	0.2
78.95801	11.9
80.51058	0.2
95.33127	0.2
96.96873	0.9
101.26004	0.2
134.98477	0.2
143.25558	0.2
147.68550	0.2
152.99544	20.9
153.99968	0.3
171.00638	1.6
179.12222	0.3
182.06793	0.2
189.72627	0.2
189.81833	0.2
220.26436	0.2
227.03291	3.0
245.04402	1.2
261.22314	0.4
266.15497	0.2
279.23367	100.0
280.23706	12.3
365.19003	0.3
413.24945	0.2
415.22290	0.2
426.93909	0.3
507.27420	40.0
508.27731	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79816	0.3
57.03347	0.4
57.15563	0.3
59.01265	54.9
60.01593	1.0
61.98717	9.3
66.03375	1.0
69.03335	0.8
71.01266	2.5
71.02380	1.7
71.04906	4.7
71.05551	0.8
73.02837	1.2
73.03957	2.8
75.00759	0.5
78.95806	0.9
83.01271	1.0
83.02398	1.0
83.04925	0.7
84.00809	1.8
85.02862	0.9
87.00773	0.6
89.02320	0.7
91.05405	0.4
93.03365	2.0
97.00350	0.7
98.01104	0.4
99.01895	1.9
99.04404	4.0
101.02348	1.5
107.04939	1.1
109.02875	0.3
109.27522	0.3
110.01147	0.6
111.01900	0.8
113.02367	1.5
113.03498	0.9
115.03923	35.8
115.08688	5.1
116.04253	0.8
118.06570	1.1
119.04946	9.2
120.05270	0.7
125.07119	2.1
126.03019	0.8
126.05539	1.5
131.04959	0.5
133.02882	0.5
133.05251	1.0
134.05989	0.9
135.04491	0.5
136.07680	0.4
137.07132	4.1
139.08762	0.4
141.06621	3.3
143.08180	0.4
145.02832	0.6
146.06070	4.8
148.07574	0.5
153.06664	1.2
154.07407	0.5
154.09805	1.4
155.08199	3.8
157.05247	0.9
159.09268	0.4
160.07617	0.4
161.02370	0.8
161.04472	0.5
162.05560	2.7
168.07661	0.5
169.13487	0.5
170.09311	4.2
172.10872	12.6
174.05553	0.4
175.08739	1.4
179.08224	1.5
179.11908	0.6
188.07077	0.5
189.06741	0.6
191.05574	0.9
196.14447	0.5
197.12901	1.2
198.08853	2.1
200.10800	1.5
202.12320	0.8
203.08234	1.5
207.10323	0.4
207.60730	0.5
214.15579	4.1
220.10925	0.8
224.14191	0.5
225.11473	0.8
226.15778	0.4
227.11638	0.6
228.10362	2.6
233.12990	0.6
236.14102	0.7
241.13589	0.4
245.12993	5.6
246.13467	0.4
248.10864	0.4
253.28201	0.4
262.15640	8.3
263.16022	0.8
274.15656	0.4
278.15277	0.6
278.40985	0.4
283.18112	0.8
299.17578	0.5
310.16605	0.4
322.22733	0.4
326.18552	0.8
332.19821	0.4
343.24957	0.5
344.19940	0.5
347.18771	0.4
357.22949	0.8
387.20798	0.5
401.22015	22.5
402.22244	2.7
403.25644	0.4
425.24869	0.5
447.23807	3.6
465.28815	0.8
507.26239	100.0
508.26523	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2621
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
59.01267	26.3
61.98716	3.8
66.03365	1.1
70.75021	0.6
71.01278	0.9
71.02386	2.3
71.04904	2.4
73.02830	0.3
73.03958	2.8
75.00784	0.4
78.95803	0.5
82.01641	0.3
83.02390	1.3
84.00800	1.6
85.02818	0.6
91.05405	0.4
93.03378	1.9
97.00348	0.9
98.01128	0.4
99.00829	0.3
99.01899	1.9
99.04392	0.7
101.02329	0.3
106.04165	0.4
107.04925	1.1
110.01118	0.6
111.01913	0.9
111.04472	0.3
112.02667	0.3
113.01619	0.3
113.02364	0.7
113.03497	1.1
113.07120	0.7
115.03929	19.7
115.08687	4.8
116.04258	0.6
116.05026	0.3
116.07140	0.3
118.06564	1.1
119.04941	9.2
121.17049	0.3
122.04725	0.5
125.07124	2.3
126.03030	1.3
126.05542	2.3
131.04915	0.5
131.94783	0.3
133.02843	0.4
133.05263	0.6
134.06042	1.1
137.07144	5.0
138.05551	0.3
139.08655	0.5
141.06622	3.4
142.06551	0.8
143.08124	0.4
145.02942	0.5
146.06056	5.7
152.08278	0.3
153.06581	1.5
153.15767	0.3
154.03819	0.2
154.09836	1.4
155.03322	0.7
155.08205	4.2
157.05261	1.0
160.07597	0.6
161.02353	0.4
162.05548	2.9
167.08183	0.3
167.11913	0.3
168.07761	0.6
169.13405	0.5
170.09312	4.6
172.10873	13.8
173.11203	0.3
174.05537	0.4
175.08687	1.1
179.08286	2.0
179.11868	0.8
186.05559	0.6
188.07225	0.3
189.06564	0.6
196.14508	0.6
197.12949	1.1
198.08893	1.5
200.10805	1.9
202.12411	0.7
203.08235	1.8
214.15616	4.5
220.10905	0.5
227.11690	0.7
228.10271	2.3
233.12915	0.4
236.14105	0.8
243.11394	0.4
245.12971	4.6
246.13298	0.4
248.10751	0.3
262.15656	7.5
263.15936	0.4
278.15225	0.4
278.60248	0.3
283.18094	0.6
296.15018	1.0
299.17682	0.6
302.15076	0.3
310.16562	0.5
320.51166	0.3
326.15063	0.3
326.18784	0.9
344.19916	0.5
357.22998	0.5
358.21649	0.5
379.57123	0.3
383.21082	0.5
387.20395	0.4
401.22021	25.6
402.22235	3.2
413.21982	0.4
447.23944	1.4
489.22797	0.6
507.26248	100.0
508.26556	15.9
508.34363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.3
57.03333	0.3
57.49271	0.2
57.56122	0.3
58.00479	0.8
59.01270	19.8
61.98709	0.8
69.03349	0.4
71.01276	16.4
72.01625	0.3
72.99193	1.2
73.02843	6.7
76.41088	0.3
78.61868	0.3
83.01282	0.7
85.02850	3.2
87.00769	1.0
89.02345	18.6
90.02684	0.3
93.03363	0.9
95.01275	0.7
97.02848	0.9
98.19805	0.5
99.00786	15.4
100.01160	0.3
101.02358	8.4
109.02901	0.3
111.35831	0.3
113.02364	3.4
115.03911	0.3
119.03437	1.4
119.04949	0.4
122.92878	0.2
125.02374	1.4
127.00312	0.3
131.03445	2.2
137.02359	0.7
139.03918	0.6
149.04576	1.5
161.04526	0.9
163.03925	0.4
173.04527	0.8
177.01805	0.2
183.13896	0.5
191.05598	6.2
192.05949	0.5
195.13893	4.8
200.88892	0.3
208.26065	0.3
213.14955	3.0
214.15279	0.4
338.70636	0.3
345.17194	0.3
347.08188	0.3
357.19266	0.5
375.15756	0.5
375.20322	7.0
376.20648	0.9
464.25937	0.4
465.27045	1.5
507.24554	100.0
508.24930	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	507.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
57.03324	2.3
58.00464	1.9
59.01267	49.8
60.01605	0.8
61.98424	0.5
61.98718	6.0
69.03335	1.1
69.36665	5.2
71.01271	38.3
72.01595	0.8
72.99186	2.7
73.02838	10.4
75.00745	1.7
79.40471	0.5
81.03347	0.6
83.01287	4.1
85.02351	0.9
85.02847	16.0
86.03189	0.6
87.00763	4.4
88.98692	1.5
89.02338	18.9
93.03352	5.2
95.01276	2.3
96.95921	0.6
97.02845	1.8
99.00800	4.6
101.02349	23.8
101.03014	1.2
102.02666	0.8
109.02865	0.7
110.67071	0.5
111.00776	2.2
111.04428	1.3
113.02357	13.8
119.03402	2.1
119.04920	1.6
121.02837	0.6
125.02375	2.8
129.01831	0.7
131.03441	8.4
133.02872	1.0
134.03654	1.3
135.04407	1.9
137.02319	1.5
139.03983	0.6
143.03415	1.9
145.02863	2.1
149.04512	3.6
155.03410	1.9
159.02937	1.8
160.01736	0.6
160.03297	0.6
161.02420	0.7
161.04494	9.3
161.36969	0.5
163.03931	2.2
173.04536	3.9
175.03944	0.9
177.01877	1.4
179.03369	1.4
191.05605	11.4
192.05902	1.4
193.05078	0.7
211.45132	0.5
213.14890	0.6
215.05510	0.7
225.05417	0.7
233.06667	1.1
267.07266	1.4
280.01523	0.5
285.20810	2.0
293.08755	1.0
315.18219	11.5
316.18478	1.6
333.09940	1.4
333.18439	0.5
411.20166	1.4
411.70255	0.6
447.22391	100.0
448.16528	0.8
448.22711	13.5
465.27078	5.2
466.27267	0.7
506.64563	0.5
507.28830	14.9
508.28531	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	2.1
58.00483	2.5
59.01268	100.0
60.01600	0.8
61.98709	2.0
67.01805	0.8
71.01273	53.4
72.99201	3.6
73.02844	11.3
75.00764	2.1
78.95804	2.9
81.03366	0.8
83.01284	4.0
83.04943	0.9
85.02852	15.5
87.00767	4.9
89.02344	53.4
90.12252	0.8
93.03360	3.7
95.01302	3.2
97.02841	2.1
99.00771	5.4
101.02348	39.3
102.02684	1.6
109.02799	0.9
111.00813	1.0
111.04392	0.9
112.15402	0.8
113.02354	21.5
119.03419	16.6
119.04933	2.4
125.02360	3.3
129.01805	1.6
131.03432	37.1
133.02962	1.2
134.03656	0.8
135.04485	1.7
143.03416	5.3
145.02896	1.6
149.04509	19.0
155.03447	1.0
159.02895	1.4
161.02454	1.2
161.04517	11.6
163.03952	2.4
173.04515	3.1
179.03799	1.2
179.05566	14.1
191.05585	21.6
192.05927	1.6
233.06895	1.0
254.93472	1.0
285.04068	1.0
315.18192	37.9
316.18567	4.1
359.16916	1.1
438.83148	1.0
447.22449	90.8
448.22858	12.6
463.25592	5.1
507.28552	1.0
508.23093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.7
56.76506	0.5
57.03349	2.4
58.00458	0.4
59.01266	17.0
61.98719	9.6
67.01781	0.5
67.70913	0.4
68.99695	0.8
69.03353	0.8
69.70367	1.3
69.70793	1.5
71.01273	15.4
72.99188	3.1
73.02843	4.0
75.00764	12.8
81.03376	0.5
83.01272	1.5
85.02843	16.3
85.03360	0.8
87.00777	5.1
88.98711	1.9
89.02335	4.5
90.02679	0.5
93.03340	1.5
95.01280	3.3
97.02832	0.6
99.00788	6.8
101.02354	6.3
102.02679	0.6
103.00273	1.1
111.00803	0.6
113.02363	17.4
114.02726	0.5
115.00292	0.9
117.01823	1.6
119.04942	0.6
125.02365	0.5
127.11208	1.1
129.01855	1.0
131.03412	1.7
141.12737	0.6
142.15608	0.5
143.58603	0.4
145.95981	0.4
149.04475	1.0
157.01254	0.6
157.12273	3.2
159.02899	0.6
161.04527	3.6
163.03940	0.8
163.14864	1.0
173.04485	1.1
175.02399	1.9
181.15927	1.1
191.05600	3.2
195.17525	1.1
196.18115	0.4
201.51488	0.4
205.07115	1.0
213.14992	2.9
223.08290	0.5
231.05058	1.4
232.65054	0.4
237.14931	0.4
249.06177	13.9
250.06520	1.0
257.17633	14.9
258.17929	1.4
267.07257	6.7
267.16101	0.9
272.36472	0.4
276.95578	0.4
315.18210	7.0
316.18506	0.8
363.18237	0.6
403.05386	0.4
447.22382	22.0
448.22729	3.5
465.26874	0.7
489.23291	1.2
507.24521	100.0
508.24908	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	507.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.1
55.53413	0.9
57.03337	1.2
58.00465	1.5
59.01263	44.6
59.83743	0.8
60.01583	1.2
68.69013	0.9
69.43151	1.5
69.43552	7.2
71.01272	38.9
72.99201	1.9
73.02821	8.6
83.01293	1.6
85.02834	8.4
87.00746	1.7
89.02337	32.4
95.01287	1.5
97.43340	1.0
98.19804	1.9
99.00771	7.2
101.02348	21.4
113.02348	14.2
119.03423	9.3
125.02349	2.3
131.03423	4.2
135.04431	1.1
143.03438	2.9
149.04497	12.5
159.02982	1.4
161.02357	1.7
161.04532	7.5
177.01891	2.3
179.03496	1.2
179.05545	5.3
191.05562	4.3
200.58719	1.0
233.06651	1.3
293.08832	1.1
311.78549	0.9
315.18164	23.2
316.18427	2.1
336.60275	1.0
447.22449	100.0
448.22690	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	507.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82802	0.7
55.01772	0.6
55.68558	0.7
57.03326	2.6
59.01271	8.5
68.99674	0.6
70.35947	1.3
70.36351	1.2
71.01274	12.2
72.99207	3.4
73.02843	3.1
75.00768	15.6
83.01279	1.4
85.02852	17.9
87.00784	4.3
89.02329	2.8
93.03360	1.3
95.01286	1.5
96.95895	1.6
97.02863	0.6
99.00790	5.6
101.02330	4.5
111.00872	0.7
112.01591	0.9
113.02365	18.5
115.00253	1.7
117.01862	0.9
119.41070	0.6
121.02856	1.0
126.61078	0.6
129.01889	1.1
143.03323	0.6
151.03920	2.2
157.01341	0.8
159.03014	0.7
161.04489	1.5
169.30569	0.6
170.58559	0.7
173.04550	1.1
175.02345	1.9
191.05602	2.7
324.83298	0.8
387.87305	0.7
447.22702	1.1
495.83942	0.8
507.20953	100.0
508.21295	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	505.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16083	0.1
54.19182	0.1
55.01772	0.4
56.38618	0.1
57.03336	0.7
59.01265	100.0
60.01599	1.2
65.67056	0.1
69.03356	0.3
69.54786	1.1
71.01271	7.6
72.99196	0.3
73.02834	2.1
75.00774	0.1
78.95802	0.2
83.01267	1.4
85.02846	4.9
85.99963	0.1
87.00787	0.6
89.02335	1.0
93.03376	0.4
95.01307	0.9
97.02209	0.1
97.02859	0.3
99.00781	1.1
101.02351	4.1
101.03010	0.2
102.98494	1.2
111.00796	0.7
113.02360	3.7
115.03960	0.2
119.03426	0.3
121.02894	0.2
125.02374	0.4
129.01863	0.2
143.03430	0.7
159.03014	0.4
161.02383	0.1
161.04494	2.0
173.04558	0.3
175.03949	0.2
191.05574	0.5
213.18628	0.2
301.24240	0.2
301.27631	0.8
313.14389	0.2
358.03687	0.1
424.22614	0.1
424.43665	0.2
443.69980	0.2
445.31818	14.4
446.32169	2.2
463.32910	10.6
464.33261	1.9
487.14282	0.3
505.21063	0.3
505.34976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97862	1.9
59.01266	12.3
61.98699	2.4
63.29907	1.7
71.01266	12.0
71.59655	3.1
72.99197	50.3
72.99586	3.7
73.02853	2.5
75.00764	3.9
76.85864	2.2
81.03352	2.2
81.77278	2.1
85.02859	8.4
87.00774	3.8
89.02351	6.4
93.03349	17.3
95.01260	2.5
96.95918	6.4
98.00003	3.3
99.00785	9.1
101.02331	5.1
107.04946	10.3
108.02040	3.4
109.02817	2.2
113.02370	6.3
119.04927	6.3
121.02881	98.3
122.03206	2.4
123.04440	19.0
130.28535	2.1
132.57114	1.9
133.02870	11.7
134.03679	2.3
135.04454	13.2
137.02341	4.8
149.02367	3.4
149.04472	2.6
150.03174	3.2
151.03958	100.0
151.94923	1.9
152.04274	4.7
161.02403	15.6
163.03978	6.8
177.01904	26.0
178.02553	6.1
191.05574	34.2
192.05919	3.0
203.73650	2.2
206.85793	2.3
337.09488	3.8
364.40820	2.3
380.34937	2.3
415.12570	42.2
416.12720	5.2
419.61737	2.3
445.13052	2.4
468.55322	2.4
490.13300	2.6
507.13754	10.6
507.20831	4.0
508.14050	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	505.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
57.03334	0.7
58.00483	0.2
59.01264	100.0
60.01604	1.2
69.03353	0.4
71.01273	7.2
71.38625	0.2
71.38950	0.2
72.99225	0.3
73.02840	2.1
75.00761	0.3
78.95811	0.2
83.01293	1.7
83.68990	0.2
85.02840	4.9
87.00784	0.7
89.02350	1.1
93.03368	0.5
95.01295	0.6
97.02910	0.3
99.00776	1.4
101.02350	4.7
102.98492	1.2
111.00761	0.9
112.01121	0.3
113.02354	4.3
115.03993	0.2
119.03402	0.4
125.02386	0.5
129.02017	0.2
129.86436	0.2
133.02885	0.2
143.03426	0.4
159.02977	0.5
161.02426	0.3
161.04524	1.4
164.22116	0.2
173.04575	0.6
179.03407	0.2
191.05603	0.7
197.11797	0.2
213.18683	0.3
225.16499	0.3
271.53128	0.2
287.16519	0.2
301.24252	0.3
301.27731	1.0
307.38779	0.2
309.20825	0.3
313.14584	0.3
322.13977	0.2
445.31848	14.3
446.32230	2.1
463.32956	9.4
464.33328	1.5
505.21420	0.3
505.35275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	0.6
57.03334	0.6
59.01267	100.0
60.01612	1.3
60.69083	0.4
61.88758	0.4
69.03323	0.4
71.01269	5.9
71.57819	0.5
73.02840	1.5
78.95767	0.4
79.49474	0.4
83.01293	1.9
85.02847	3.9
87.00803	0.7
89.02341	0.8
93.03386	0.9
95.01274	0.5
96.95901	0.4
99.00797	1.0
101.02363	3.7
111.00846	0.7
113.02354	2.9
129.01967	0.4
142.46819	0.4
143.03497	0.5
161.04549	0.5
173.04517	0.9
178.96332	0.4
190.74124	0.4
191.05637	1.2
211.09367	0.4
225.16475	0.6
233.23933	0.5
301.27661	1.0
313.14716	1.6
340.07898	0.4
445.31824	10.0
446.31918	2.2
463.33066	6.4
464.33441	0.7
487.20166	0.5
505.22226	0.7
505.34113	0.7
506.25833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12339	0.7
56.93819	0.7
57.03324	2.4
59.01263	10.7
61.98718	4.1
65.86572	0.7
67.01774	1.1
68.99703	1.9
69.03334	3.4
70.66161	3.0
71.00896	1.3
71.01271	20.7
72.68616	0.9
72.99192	2.9
73.02823	1.5
75.00764	14.3
78.31682	0.9
78.95803	7.6
83.01278	4.6
85.02848	19.7
87.00787	5.5
89.02323	3.6
91.03908	1.9
95.01298	6.2
96.95893	5.8
99.00782	16.4
101.02357	0.8
103.00282	1.2
111.00776	2.9
113.02361	25.8
115.00282	0.8
129.01828	0.8
131.03442	3.1
139.00365	1.7
140.49950	0.9
152.99516	3.4
157.01364	2.1
175.02431	0.9
191.05618	7.4
205.07199	2.4
222.66089	0.8
231.05130	0.9
249.06195	21.6
250.06456	1.2
255.23346	86.5
256.23712	7.2
267.07248	4.8
269.25027	1.5
279.23383	14.1
280.23743	1.6
281.24786	1.4
291.28513	0.8
307.26382	0.8
308.26880	4.4
447.25360	3.0
505.30304	100.0
506.30560	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	505.303
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
50.75942	0.5
54.97608	0.5
57.03329	1.8
58.32640	0.6
59.01265	12.2
61.98713	1.9
67.01759	0.9
68.99710	1.3
71.01271	13.7
71.58074	0.8
71.58439	0.6
72.99196	5.4
73.02839	1.2
75.00768	15.7
78.95777	3.0
85.02840	14.8
87.00768	5.5
89.02334	2.8
93.03354	0.6
95.01296	3.8
99.00784	7.5
103.00280	1.7
105.26618	0.5
111.00808	0.8
113.02357	20.0
114.02701	0.7
115.00281	1.9
117.01844	3.2
127.03944	0.7
152.99521	1.2
157.01378	0.9
162.04124	0.7
173.04492	0.7
175.02455	2.2
191.05583	4.0
223.08199	0.6
231.05092	0.9
249.06195	14.2
250.06526	1.0
255.23337	79.1
256.23630	8.2
267.07239	2.2
279.23425	3.5
421.42639	0.6
447.25067	1.1
487.29309	3.0
488.29504	0.9
491.37289	0.7
505.30310	100.0
506.30634	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	505.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89932	0.1
55.01770	0.5
57.03337	0.7
59.01264	100.0
60.01604	1.6
61.01687	0.5
61.46687	0.1
61.98721	0.3
67.01787	0.2
69.03345	0.3
70.11387	0.4
71.01270	6.2
72.99201	0.4
73.02834	2.2
75.00768	0.1
78.95800	0.2
83.01282	2.2
83.04893	0.2
85.02843	4.6
86.00002	0.3
86.03193	0.2
87.00771	0.5
89.02336	0.6
93.03346	0.8
95.01283	1.0
97.02863	0.6
99.00759	1.0
101.02348	4.4
111.00806	0.5
112.01572	0.1
113.02364	2.6
121.02901	0.1
125.02367	0.5
129.01913	0.3
133.02863	0.6
134.03676	0.2
135.04460	0.4
136.04800	0.1
137.02420	0.2
143.03436	0.5
147.00830	0.2
155.03404	0.1
159.02954	0.3
161.02414	1.1
161.04468	1.1
162.02875	0.1
165.01877	0.4
173.04500	0.6
173.48230	0.1
174.86674	0.1
175.04053	0.2
179.03445	0.4
183.14468	0.1
191.05562	1.4
209.11818	0.3
211.16907	0.1
213.18611	0.4
299.26074	0.2
301.27563	1.7
302.27609	0.2
342.64209	0.2
397.29681	0.3
415.30728	0.4
445.31793	17.1
446.32169	2.2
463.32874	11.0
464.33163	1.7
487.19952	0.4
505.20862	0.6
505.33835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02309	0.2
55.01773	1.7
57.03340	1.3
58.00481	3.2
59.01266	74.5
60.01599	0.9
60.99187	0.3
67.01774	0.7
67.32616	0.2
67.86108	0.2
69.03347	1.2
70.27784	0.5
70.28186	0.9
71.01271	69.1
71.48740	0.2
72.01614	1.3
72.99200	4.2
73.02836	20.9
74.03159	0.3
75.00764	1.0
76.22947	0.2
81.03352	0.5
83.01280	2.8
83.04933	0.2
85.02841	10.8
85.99982	0.4
86.03173	0.4
86.36018	0.2
87.00774	3.1
87.04371	0.3
89.02340	100.0
90.02637	1.5
93.03362	4.2
95.01297	1.8
96.95911	0.3
97.02859	1.7
99.00782	35.4
99.04416	0.6
100.01120	1.0
101.02348	48.8
102.02669	1.1
109.02829	0.4
110.32039	0.2
111.00803	0.8
111.04456	0.7
113.02357	14.4
115.03924	1.6
119.03419	7.1
119.04902	2.2
123.04430	0.3
125.02370	6.3
126.02753	0.3
127.03930	0.3
129.01851	0.4
131.03435	20.7
132.03796	0.6
143.03445	2.7
143.04568	0.3
145.02896	0.4
148.30165	0.2
149.04500	82.7
150.04834	2.3
151.00290	0.3
155.03464	0.4
158.96141	0.2
159.02942	0.8
161.04503	7.8
162.04807	0.3
163.03937	1.5
170.37500	0.3
173.04510	2.9
173.81166	0.2
179.05579	1.7
186.56218	0.2
191.05585	25.1
192.05966	0.8
210.06898	0.3
221.06677	4.5
233.06743	1.4
243.02989	0.4
251.07767	7.8
255.03052	0.7
267.07428	0.3
271.02542	2.3
272.03018	0.3
275.07794	0.7
281.08954	0.3
283.15649	0.3
283.86755	0.2
293.05832	0.4
293.08759	2.0
299.02081	0.2
300.02847	3.6
301.03561	1.9
311.09888	1.9
328.21106	0.2
373.22406	9.2
374.22836	0.7
419.11734	0.4
505.10974	2.6
505.26715	50.3
506.15085	3.3
506.26944	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	505.2587
Annotation	Amoritin
Peak:m/z	Relative Intensity
54.56713	0.3
56.42827	0.4
57.22192	0.3
59.01273	2.6
59.01519	0.5
63.14795	0.3
78.95798	25.4
96.79898	0.4
96.96869	2.5
98.20600	0.7
107.61528	0.4
117.24129	0.4
136.48097	0.4
150.97963	0.7
152.99533	43.7
153.99838	0.7
171.00627	1.9
227.03281	6.2
229.56712	0.5
233.22763	0.8
245.04399	1.9
275.20163	0.6
277.21790	100.0
278.22144	10.8
323.72455	0.4
413.21002	1.1
447.78488	0.4
505.25864	81.1
506.26154	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	505.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36819	0.3
55.01767	3.7
55.09351	0.3
57.03335	3.2
58.00484	1.4
59.01266	41.9
60.01601	0.4
60.99177	0.4
64.06723	0.3
65.31602	0.3
65.50581	0.3
66.89140	0.3
67.01781	0.4
68.99694	0.3
69.03352	1.9
69.27579	2.6
69.28004	1.0
71.01272	49.3
71.04903	0.4
72.01612	0.9
72.99208	3.0
73.02839	20.4
75.00770	4.2
81.03348	0.8
83.01284	8.0
83.04916	0.5
84.01615	0.3
84.02076	0.7
85.02847	24.6
85.99990	0.6
86.03207	0.7
87.00779	4.0
89.02342	21.5
90.02686	0.4
93.03365	2.4
95.01280	3.7
96.95912	1.9
97.02858	3.6
97.06464	0.4
99.00782	13.2
99.04436	1.2
100.01114	0.4
101.02351	39.3
102.02700	0.9
108.02072	0.4
109.02855	0.5
111.00815	1.3
111.04431	0.6
113.02364	18.7
114.02702	0.9
115.03931	1.4
119.03422	2.0
119.04904	0.7
121.02886	0.7
123.04428	0.8
125.02390	4.4
127.03980	0.4
129.01878	1.2
131.03442	4.8
133.01385	0.6
133.02890	0.5
134.03648	0.4
135.04456	1.0
137.02484	0.4
138.87062	0.4
139.03966	0.4
139.99547	0.3
143.03476	2.1
149.03317	0.6
149.04509	9.7
151.00330	1.7
155.03473	0.5
155.99077	0.3
159.02972	2.5
160.01683	0.4
161.02477	0.7
161.04515	13.8
162.04872	0.5
163.00346	0.4
163.03979	0.7
165.04016	0.4
173.04533	1.8
174.88708	0.3
175.03978	0.6
178.99857	0.6
179.03319	0.4
179.05693	0.6
183.01208	1.0
191.05614	9.0
192.06010	1.0
205.03448	0.5
216.37085	0.3
227.03419	0.4
233.06683	4.9
243.03003	1.5
249.06218	0.7
250.06606	0.4
251.07777	0.7
255.03033	3.7
256.03519	0.5
267.07315	2.0
268.07645	1.1
269.07889	1.4
271.02557	9.0
272.03009	0.9
293.08856	1.8
300.02841	12.0
301.03448	4.1
311.09692	0.3
373.22391	30.9
373.59714	0.6
374.22754	3.4
417.21194	0.5
445.08307	1.0
445.21078	0.8
463.22269	0.5
464.22122	0.4
505.10733	9.1
505.26895	100.0
506.10181	1.6
506.27240	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11842	0.3
54.27474	0.3
56.79620	0.3
58.92976	0.4
59.01260	2.4
71.01279	0.6
71.58708	0.6
75.30667	0.3
78.95795	21.0
80.91155	0.3
91.48917	0.3
96.96872	1.8
97.06470	0.3
150.97990	0.4
152.99529	33.4
153.99931	0.5
168.53947	0.3
171.00578	1.8
206.67145	0.3
227.03285	4.9
245.04199	1.6
253.81769	0.4
259.20764	0.5
275.20157	0.6
277.21783	100.0
278.22125	10.9
413.21048	0.6
505.25848	63.0
506.26083	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	505.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84652	0.3
58.87721	0.3
59.01259	1.7
60.00409	0.3
70.63839	0.7
70.64214	1.2
71.01283	0.5
78.95794	27.0
83.04925	0.4
96.96864	3.0
149.14175	0.4
152.99527	43.2
153.99858	0.9
165.84560	0.3
171.00584	2.4
180.11533	0.3
194.84351	0.4
227.03262	5.8
233.22723	0.6
245.04352	1.6
259.20734	1.3
277.21790	100.0
278.22171	10.9
279.23456	0.4
280.23578	0.7
413.21097	1.1
421.12775	0.4
505.25858	73.6
506.26108	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	505.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15955	0.5
57.03320	0.6
58.14558	0.5
59.01266	100.0
60.01606	0.8
61.98720	1.6
69.03343	10.1
71.01283	2.0
71.56528	0.5
73.02857	1.6
75.00772	1.8
78.95802	2.8
85.02842	1.5
93.03373	0.6
96.95930	0.7
97.02824	4.6
97.90046	0.6
99.04427	3.2
101.02352	1.4
113.02360	11.9
121.02893	2.4
121.06516	6.6
122.03705	0.5
123.08115	1.3
133.02928	0.9
134.03633	0.6
135.04395	0.9
141.01682	1.2
145.10258	0.7
151.11252	0.6
161.02440	1.5
162.41411	0.6
163.11264	0.6
173.04611	0.9
187.07677	1.1
189.09213	2.6
191.05687	2.3
269.19156	4.0
303.19815	1.2
313.18152	4.8
314.18771	0.8
331.19119	0.8
409.20154	0.7
410.20706	0.8
505.34744	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	505.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.3
70.96259	0.6
71.01279	0.3
72.37303	0.2
78.95792	10.2
86.13735	0.2
93.03362	0.3
96.96854	0.8
97.06481	0.3
99.04435	0.3
132.46135	0.2
152.99527	16.9
160.20564	0.2
171.00592	1.7
173.04494	0.3
191.05629	0.3
197.18839	0.2
227.03255	2.8
233.22818	0.4
243.67235	0.3
245.04422	2.0
259.20764	0.7
275.20245	0.6
277.21777	100.0
278.22128	10.6
505.25854	36.4
506.26135	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	505.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16525	0.3
55.01767	1.9
57.03325	1.5
58.00484	0.6
59.01268	16.2
64.59618	0.3
69.03336	0.7
69.70866	2.1
70.06858	0.3
71.01272	15.3
72.99195	1.3
73.02840	9.0
75.00782	0.5
83.01280	3.3
85.02850	7.0
86.00017	0.4
87.00762	1.2
89.01818	0.7
89.02341	7.8
90.02692	0.3
93.03333	0.4
95.01289	1.5
97.02856	1.3
99.00787	5.7
101.02351	15.9
102.02676	0.4
111.00765	0.7
113.02352	5.5
115.03944	1.1
116.92773	1.2
119.03407	1.4
125.02370	2.0
127.63268	0.3
131.03429	0.8
132.02094	1.2
133.02823	1.0
134.03661	4.9
135.04443	0.6
143.03423	0.6
149.04483	0.7
149.06023	0.9
149.46806	0.4
159.02855	0.4
160.01611	6.9
161.02277	0.7
161.04492	1.1
173.04524	0.4
175.03964	8.4
176.04312	0.5
178.02780	0.5
179.03416	0.6
191.05557	1.3
193.05042	5.7
199.32533	0.4
211.13390	1.3
233.06783	0.4
236.95404	0.3
261.32083	0.4
298.33102	0.4
329.19678	0.6
373.18729	8.4
374.19119	0.7
379.10248	2.0
452.75934	0.3
505.23010	100.0
506.14902	0.8
506.23312	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	505.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75870	0.7
55.01761	3.3
57.03328	3.0
58.00471	1.4
59.01265	43.2
61.98717	3.0
65.78919	0.8
69.03345	1.5
69.42705	3.6
69.43126	2.9
71.01269	35.2
71.43169	0.6
72.01615	0.8
72.99197	1.4
73.02834	14.9
74.12202	0.7
75.00761	1.5
79.34198	0.7
83.01276	5.9
85.02845	15.3
87.00768	2.7
89.02337	20.8
93.03358	1.9
95.01286	1.4
96.95932	1.0
97.02834	2.1
98.19867	1.6
99.00784	12.9
101.02344	32.2
102.02657	1.3
104.81789	0.8
111.00751	1.1
113.02354	14.8
119.03400	3.7
119.04976	1.2
125.02368	3.3
131.03418	3.8
133.02849	1.7
135.04457	1.5
137.02357	0.9
140.73441	0.8
143.03461	0.8
145.02866	1.4
149.04475	10.3
159.02940	1.4
161.02364	3.2
161.04468	6.8
163.03944	1.2
167.03450	1.2
173.04465	2.6
177.01982	0.9
179.03450	2.0
191.05573	9.7
195.06621	1.3
221.06656	1.1
233.06801	0.8
251.07828	1.2
313.16611	13.6
314.17096	1.5
339.04916	0.8
354.53622	0.8
361.19101	0.8
401.21848	1.1
445.20853	100.0
446.21176	13.5
461.24042	15.4
462.24167	1.7
505.26706	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40079	0.4
55.01771	2.4
57.03323	2.0
58.00483	0.7
59.01265	55.2
60.01601	0.9
61.98716	1.0
67.01750	0.4
69.03342	1.4
69.93003	0.4
70.50050	0.5
71.01270	39.2
71.58419	0.7
72.01608	0.7
72.99198	2.6
73.02836	12.0
75.00771	1.1
83.01273	5.3
85.02843	15.6
86.03210	0.6
87.00785	3.1
88.98721	0.5
89.02341	16.9
89.28694	0.5
93.03371	2.6
95.01294	2.3
97.02861	2.0
99.00787	6.1
99.04413	1.0
101.02348	27.0
102.02682	0.6
102.98512	1.7
109.02885	0.8
111.00779	2.6
111.04417	0.6
113.02357	14.1
113.07308	0.4
114.02692	0.5
115.03914	0.6
115.35800	0.4
116.92781	0.9
117.03342	0.8
119.03421	1.1
119.04946	1.5
121.46748	0.5
125.02354	1.8
129.01811	1.0
131.03432	18.8
133.02904	1.6
134.03682	0.7
135.04468	3.0
137.02345	1.4
143.03415	2.5
145.02864	2.5
149.04497	8.2
151.11232	1.1
155.03455	0.6
159.02922	2.7
160.01613	1.1
161.02444	4.3
161.04491	10.8
162.04881	0.6
163.03978	1.8
173.04547	3.1
175.03912	0.9
179.03482	3.4
181.12366	0.6
191.05582	21.1
191.10678	0.8
192.05922	0.8
209.11815	5.4
211.17039	0.7
223.07750	0.5
233.06731	1.4
251.07271	0.5
253.09305	1.2
265.05115	0.6
267.06760	1.2
293.08734	1.3
295.06180	0.9
313.16641	33.3
314.17126	2.4
319.08231	0.7
337.03381	0.6
339.05136	5.7
353.08890	1.1
385.22498	1.0
419.23044	0.6
445.20877	100.0
446.21249	13.9
461.23926	4.8
462.23950	0.8
495.09460	0.6
505.22571	2.0
505.26541	2.8
513.10388	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	505.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97601	0.6
55.01764	2.2
57.03326	2.0
58.00477	1.3
59.01265	42.2
60.99162	0.8
67.99594	0.7
69.03320	0.7
71.01274	38.5
71.58310	0.9
71.58704	0.8
72.93513	0.8
72.99196	2.8
73.02839	16.5
75.00763	3.5
83.01303	3.6
83.04909	0.8
85.02842	18.2
87.00768	3.4
87.55418	0.7
89.02341	26.0
93.03355	3.2
93.48382	0.8
95.01273	3.3
96.95925	0.9
97.02847	1.8
99.00782	13.1
100.01115	0.9
101.02349	28.9
102.02647	1.0
111.04405	0.9
113.02361	19.2
115.03929	1.5
117.01881	0.9
117.03373	1.3
118.73787	0.7
119.03392	1.6
119.04929	3.4
122.07027	0.7
125.02369	3.7
127.03904	1.2
129.01837	0.9
131.03473	4.7
132.02051	1.4
133.02888	1.7
134.03680	1.6
135.04466	2.9
143.03413	1.3
145.02879	3.1
149.04504	10.7
149.13252	0.8
159.02901	2.2
159.04218	0.7
160.01654	3.6
161.02449	3.6
161.04488	11.5
162.04810	1.1
163.03912	3.5
163.14822	1.0
173.04506	3.6
175.02618	0.9
175.04001	5.2
179.03439	1.8
185.02211	0.9
191.05582	14.0
193.05016	2.9
233.06659	1.2
249.06181	4.5
251.07710	1.4
255.16054	3.0
267.07144	2.7
293.08911	0.8
313.16605	13.1
314.16885	1.8
337.03607	1.4
338.40460	0.9
339.05157	2.7
359.07422	1.4
399.24063	1.0
401.24518	1.0
445.20868	100.0
446.21225	14.7
461.24408	1.5
463.26007	1.0
505.14139	1.6
505.23160	22.3
506.14832	1.7
506.23361	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	1.3
56.60470	1.0
57.03313	3.7
59.01265	29.7
60.99193	1.8
61.98693	4.0
67.01769	3.1
68.99699	2.2
69.03335	3.4
70.48179	1.0
71.00900	1.7
71.01272	25.6
71.59800	1.6
72.99171	3.1
73.02839	52.6
75.00758	3.8
75.79178	1.2
81.03360	1.4
83.01278	3.1
83.04874	1.3
85.02353	1.4
85.02842	23.5
87.00774	10.3
88.98704	10.0
89.02355	8.9
93.03365	13.1
95.01307	5.4
96.95882	2.9
97.02840	1.7
99.00774	3.0
101.02341	8.1
105.06984	3.1
106.06532	1.3
107.04943	2.9
109.02849	2.2
111.00776	3.4
111.04385	2.7
112.01596	1.3
113.02357	27.9
114.02673	1.4
115.00269	1.3
116.92747	3.0
118.97945	1.7
119.03384	1.7
119.04957	7.9
121.02864	1.8
121.06470	4.2
121.36974	1.0
122.03669	1.2
123.04430	1.9
123.08087	25.3
125.02338	1.4
127.03945	1.9
129.01849	3.7
131.03438	1.6
132.02048	1.3
133.06511	1.5
134.03589	2.1
135.04454	2.7
135.08073	3.1
137.02354	2.2
143.03436	1.3
146.10860	1.2
148.03983	3.8
149.04532	1.6
149.05991	7.3
152.03438	3.1
155.03436	1.2
157.01364	1.5
161.04457	2.8
163.03998	6.1
164.51949	1.0
167.07126	9.6
173.04518	9.3
175.03882	2.5
177.01799	2.1
179.05580	1.8
179.07085	1.3
179.10703	2.3
189.03938	1.4
191.05600	35.4
192.05815	1.3
193.05040	1.5
205.07101	3.0
223.09683	3.5
237.09390	1.5
241.08702	1.2
241.10886	13.2
249.06154	5.5
255.10278	5.2
263.07700	4.5
267.07016	1.8
277.43405	1.0
281.05893	2.0
281.08823	28.7
282.09207	1.5
313.12012	2.0
315.14532	7.7
316.14856	1.3
327.08719	2.3
337.09366	2.3
345.10953	3.3
419.11639	3.8
425.09036	1.3
429.17624	2.0
431.15808	7.7
443.19507	2.9
445.20554	2.0
463.22156	2.9
473.16724	8.1
487.17526	1.2
505.19263	100.0
506.14597	5.3
506.19812	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	505.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.1
59.01262	2.5
60.01605	0.1
69.03351	0.1
69.84768	0.5
69.85189	0.2
71.01266	1.3
72.99200	0.2
73.02840	0.4
74.02351	0.6
77.03855	0.3
78.93430	0.1
78.95789	0.4
83.01298	0.3
85.02847	0.9
87.00793	0.4
89.02335	0.4
93.03374	0.7
95.01296	0.2
96.95895	0.1
97.02887	0.2
98.19808	0.1
99.00772	0.1
101.02357	0.8
102.43410	0.1
111.00812	0.1
113.02348	1.1
119.03341	0.1
120.50944	0.1
121.02871	100.0
122.03203	4.3
125.02390	0.2
133.02849	0.8
135.04440	0.9
136.04680	0.1
137.02449	0.2
143.03400	0.2
145.02847	0.2
146.64482	0.1
160.01590	0.1
161.02391	2.4
161.04541	0.4
162.02780	0.5
169.02118	0.2
173.04491	0.6
175.03920	0.1
179.03465	0.9
179.56239	0.1
180.03708	0.2
185.11778	0.1
191.05589	1.4
192.06071	0.1
195.06557	0.2
207.57214	0.1
257.05615	0.2
257.17575	0.4
257.55936	0.2
269.10471	0.2
311.11423	0.1
343.14426	0.1
353.08768	0.2
383.13623	0.9
401.96002	0.1
419.23297	0.1
461.23978	0.7
504.28610	0.2
505.28247	0.4
505.34763	1.1
506.25739	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	505.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.6
55.81943	0.8
57.03331	1.3
58.00470	2.7
59.01265	66.7
60.01597	1.5
63.15181	0.8
67.62194	0.9
69.03343	6.2
70.57556	3.3
71.01270	77.0
72.01608	1.3
72.99191	3.9
73.02841	7.9
73.20304	1.1
75.00765	1.9
81.03355	4.3
83.01274	5.0
85.02840	11.2
87.00775	2.6
89.02338	79.1
90.71146	0.9
91.01795	11.0
93.03352	10.8
94.56525	0.8
95.01292	2.3
96.95894	2.0
97.02853	7.8
99.00771	2.3
99.04408	1.0
101.01707	1.1
101.02349	17.2
107.04935	2.7
107.83833	1.1
108.80431	1.0
109.02906	1.0
111.00787	1.9
112.62879	0.9
113.02354	13.4
119.01292	3.4
119.03420	3.6
119.71557	1.0
121.02877	15.1
125.02368	30.9
131.02464	1.6
131.03429	20.4
133.02898	1.2
136.01509	1.0
137.02368	11.6
138.01813	1.2
139.03920	1.7
143.03426	3.1
147.04396	1.2
149.04498	29.1
151.03947	100.0
152.04306	5.0
161.02386	2.2
161.04549	1.6
173.04359	1.2
179.03584	1.0
191.05568	16.5
201.62291	0.9
231.74695	0.8
233.06700	6.6
275.07843	1.4
281.06659	2.1
293.08859	59.9
294.09317	4.2
325.10822	1.6
339.05310	1.4
413.10901	5.2
505.19763	1.1
513.01880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00992	0.6
59.01266	7.8
66.47219	0.4
68.99710	0.5
69.03333	1.1
70.75093	1.2
71.01259	2.0
73.02832	0.7
77.98243	0.4
80.85507	0.5
81.03366	0.4
83.01287	0.4
85.02849	1.4
86.08377	0.3
87.00789	0.9
93.03365	1.3
95.01290	0.5
97.02863	4.7
101.02356	1.0
111.00750	0.4
111.04423	0.6
113.02375	1.1
117.03397	1.3
119.04942	1.5
123.00816	0.7
123.04434	0.5
124.01590	0.4
125.02379	14.1
132.02103	21.1
133.02930	4.4
134.03673	30.4
135.04025	1.4
137.02374	1.7
145.02931	0.6
147.04491	0.7
149.06017	7.6
151.00308	1.3
158.03708	4.7
160.01614	93.8
161.01961	4.3
163.03949	1.7
172.05188	0.5
173.04610	0.8
173.06036	3.3
174.03151	0.9
175.03972	100.0
176.04303	5.7
177.01909	0.7
178.02670	2.7
179.03340	0.4
187.03932	0.4
191.05609	2.8
191.07130	0.8
193.05046	32.2
194.05389	1.1
201.01900	2.3
202.02711	4.2
202.34538	0.3
203.03169	0.5
216.04332	0.5
217.05054	11.2
231.06502	0.6
235.06161	0.8
301.07303	3.0
303.42776	0.4
319.08356	0.9
336.06396	0.4
355.06903	0.5
379.10443	18.2
380.10739	2.4
445.11404	0.7
461.23807	0.5
463.25809	0.8
484.10986	0.4
505.13693	33.0
505.25308	1.0
506.13980	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	505.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94257	0.1
59.01256	0.8
60.99196	0.2
61.98729	0.2
69.88117	0.9
74.09351	0.2
77.03918	0.1
78.95791	0.4
89.02394	0.1
93.03374	0.3
111.53463	0.2
121.02875	100.0
122.03210	3.9
141.63676	0.1
148.30185	0.1
152.99481	0.8
167.08562	0.2
180.05771	0.5
181.06567	3.5
194.84644	0.1
197.06075	2.9
206.07266	0.2
207.04503	1.4
207.08109	0.5
223.03943	0.3
225.05551	2.4
251.07181	0.2
257.09839	0.9
269.08286	0.3
277.32751	0.2
285.09204	0.4
295.06177	0.3
301.08871	0.4
313.07275	4.4
314.07602	0.6
329.08258	0.3
347.80728	0.2
357.06366	1.1
373.11005	0.4
383.07950	1.0
417.09888	9.4
418.10126	1.3
433.09415	0.4
461.12427	0.4
505.11542	9.7
506.11984	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1364
Annotation	Okanin 4-methyl ether 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.90569	0.2
53.52038	0.2
57.55427	0.2
59.01266	4.7
63.02280	1.8
65.00205	4.7
65.00526	0.3
69.03340	0.2
69.58959	0.3
69.59367	1.2
71.01270	2.1
72.99186	0.3
73.02836	0.8
83.01278	3.8
85.02865	1.1
87.00764	0.4
88.98718	0.2
89.02354	1.2
93.03365	0.6
95.01290	0.3
96.95923	0.9
97.02866	0.3
99.00780	0.2
100.53955	0.2
101.02357	1.1
103.03974	0.2
107.01295	9.9
108.02094	3.9
108.99201	0.3
109.02901	0.3
112.40785	0.2
113.02374	1.0
116.92785	0.3
119.01319	0.2
119.03435	0.2
119.04947	0.3
121.02856	0.5
123.00836	0.2
123.04439	2.5
125.02360	0.8
131.01314	0.4
131.03453	0.3
132.02000	0.2
133.02876	0.9
134.03662	16.6
135.04535	1.5
136.01584	1.3
137.02379	0.4
139.03902	0.3
145.02895	0.5
149.02415	0.4
149.04575	0.6
149.06018	12.3
150.06386	0.5
151.00308	31.4
152.00644	1.4
160.01649	0.6
161.02393	2.8
161.04462	0.3
163.03963	0.2
164.01094	3.3
165.01866	1.7
169.01379	1.7
173.04486	0.7
174.03253	0.6
175.00325	0.9
175.02530	0.2
175.03958	0.8
177.01883	4.2
179.03430	0.8
188.31850	0.2
190.06155	0.2
191.05612	2.1
193.01358	0.8
196.00137	1.6
199.04012	0.6
201.01900	0.7
205.08675	0.3
215.03493	0.4
218.43924	0.2
242.05769	0.5
258.05444	0.4
268.03754	0.2
285.04099	0.6
286.04813	1.6
300.06363	0.2
301.07233	100.0
302.07571	9.6
311.13129	0.2
313.16519	0.2
321.11551	0.2
325.07269	0.7
337.03955	0.3
339.05170	0.3
341.14001	1.5
343.08270	2.8
353.08862	0.3
425.10461	0.2
445.20782	3.0
446.21548	0.3
461.23663	0.3
463.21326	0.2
505.13354	1.2
505.27386	1.3
513.10516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1004
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01770	2.1
57.03341	1.9
58.00481	1.0
59.01268	20.9
60.01606	0.7
60.99204	0.1
63.02288	0.5
65.00205	1.3
68.99715	0.2
69.03336	0.9
69.40314	1.2
71.01272	35.0
72.01597	1.1
72.99207	2.1
73.02840	15.1
74.03193	0.3
79.75466	0.1
81.03352	0.4
83.01281	5.6
83.04956	0.2
84.02081	0.3
85.02847	15.6
85.99986	0.6
86.03223	0.4
86.36526	0.1
87.00777	2.3
89.02341	13.8
89.67972	0.1
90.02661	0.7
90.18181	0.1
91.01797	0.5
91.02781	0.3
93.03368	1.1
95.01285	2.5
96.95939	0.3
97.02872	1.6
97.06476	0.2
99.00785	8.4
99.04435	0.5
100.01151	0.4
101.02351	26.5
102.02682	0.9
103.00303	0.2
103.94834	0.1
107.01299	2.8
107.01955	0.2
107.04916	0.2
108.02089	1.8
109.02878	1.8
111.00779	1.0
111.04456	0.2
111.08121	0.2
113.02362	12.9
114.02713	0.4
115.03893	0.9
117.01843	0.2
119.01329	0.4
119.03409	0.9
119.04959	0.7
120.02014	0.2
121.02865	1.9
123.04460	0.2
124.01619	0.3
125.02370	3.1
127.03979	0.2
128.03487	0.2
129.01852	0.8
131.03436	2.9
132.03828	0.2
133.02873	0.3
134.03673	0.2
135.00809	0.9
135.04414	0.3
137.02434	0.3
139.00334	0.2
139.03952	0.4
143.03494	1.6
143.04555	0.3
145.02913	0.5
147.00887	0.3
147.04416	0.2
148.01604	1.9
149.02454	0.4
149.04506	5.9
150.04822	1.1
151.00313	10.4
151.04979	0.5
152.00822	0.5
153.01857	0.5
155.03467	0.2
159.02997	2.0
159.04395	0.4
160.01489	0.1
161.02400	0.4
161.04507	9.9
162.04802	0.2
162.13625	0.3
163.00330	2.7
163.03918	0.5
164.01091	0.9
165.01819	0.3
167.04922	0.2
168.97408	0.2
169.01480	0.9
171.04414	0.2
172.05252	0.2
173.04527	1.0
173.05980	0.3
174.03259	0.3
175.04030	0.8
178.99832	5.6
179.05553	0.2
180.00227	0.3
183.01256	0.3
183.04489	0.5
185.06075	0.4
187.03905	0.7
188.04805	0.2
190.02686	0.2
190.99835	0.6
191.05582	3.3
192.00586	0.5
192.05927	0.4
193.01463	0.3
193.06076	0.2
198.03206	0.4
199.03960	1.3
201.01997	0.3
201.05568	0.3
203.03441	0.6
205.03467	0.4
211.04022	1.5
212.04588	0.2
213.01900	0.2
215.03543	1.0
215.05339	0.2
216.04256	0.7
226.02739	2.4
227.03502	3.9
228.03979	0.5
229.01422	0.4
229.05086	0.7
233.06676	2.4
239.03578	0.4
241.04971	0.2
242.02066	0.3
243.03017	13.2
244.03419	1.3
245.04543	1.3
249.06297	0.5
250.06485	0.3
251.07593	0.3
253.18112	0.2
254.02248	3.2
255.03026	30.5
256.03406	2.6
257.04657	0.2
267.07245	1.2
268.07584	0.6
269.07825	0.7
271.02536	67.1
272.02979	7.2
272.08783	0.2
273.04126	1.1
281.17517	0.2
283.02585	1.4
293.08835	1.3
299.02094	1.4
300.02817	100.0
301.03519	45.5
302.03955	3.9
325.14899	0.2
343.04706	0.5
373.22391	23.3
374.22781	1.9
379.22900	0.2
417.21503	0.2
421.94052	0.1
445.07617	0.2
463.08984	3.1
463.22107	0.2
464.09299	0.4
504.21631	1.2
505.10062	75.1
505.26724	68.5
506.10330	12.1
506.27054	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	504.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.5
61.98718	4.0
71.58233	0.6
71.58644	0.6
78.95798	10.0
87.00793	0.5
93.03323	0.4
96.96865	0.5
103.13985	0.4
152.99524	11.0
164.90825	0.4
168.00580	0.9
171.00627	0.8
191.05603	0.8
223.13475	0.7
224.03320	2.6
227.45395	0.5
242.04428	2.0
255.23398	0.6
261.22437	0.6
279.23364	100.0
280.23685	10.4
323.06229	0.4
423.05225	0.4
504.27405	23.4
505.27795	4.4
506.01297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58922	0.0
59.00993	0.0
59.01269	0.5
65.46100	0.0
71.01276	0.1
71.06837	0.0
71.07182	0.1
72.99184	0.0
78.95793	6.5
83.04904	0.1
96.96861	0.1
97.06506	0.0
101.63774	0.0
104.97359	0.0
131.55884	0.0
152.99530	1.2
153.00760	0.1
155.28540	0.0
168.04265	1.7
169.04817	0.0
171.00580	0.1
224.06927	1.1
225.07423	0.0
227.03299	0.1
233.07372	0.0
242.08014	2.9
243.08176	0.1
245.04366	0.1
261.22333	0.5
277.21796	2.3
279.23337	100.0
280.23663	10.8
504.31067	11.0
505.25543	1.0
505.31531	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	504.3344
Annotation	Mycinamicin VIII
Peak:m/z	Relative Intensity
55.28421	0.3
59.01261	3.8
61.98698	0.4
71.37263	0.5
74.02363	0.4
78.95792	1.6
82.02879	0.4
84.04449	2.0
85.02864	0.6
87.00776	0.5
97.02847	0.4
99.04428	1.1
100.07582	0.6
102.05514	33.8
103.05846	1.0
109.02893	0.5
111.83463	0.3
117.03407	1.0
119.04919	1.5
120.13790	0.3
121.02943	0.4
124.43944	0.3
128.03461	53.8
129.03809	1.6
135.04385	0.6
145.02898	4.9
146.04533	9.2
152.99561	0.6
163.03941	1.1
168.85370	0.3
173.04494	0.4
175.03944	0.4
191.05608	1.1
263.06903	0.3
285.20813	0.6
311.22513	0.4
357.28033	0.4
375.29114	29.9
376.29474	3.9
395.09567	0.3
413.23471	0.7
414.34045	0.9
416.35440	2.8
417.35565	0.5
418.29654	0.5
431.24426	0.6
442.33231	1.1
460.34439	8.9
461.34735	2.0
486.32257	2.8
504.33432	100.0
505.27939	2.0
505.34000	17.2
520.14539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70671	0.2
55.01772	0.3
59.01263	100.0
60.01598	2.5
61.01693	0.9
61.98724	0.5
71.01276	3.4
71.58028	0.4
71.98455	0.2
72.99210	0.4
73.02848	0.7
78.95823	0.5
83.01283	0.7
85.02834	1.6
86.96385	0.2
87.00784	0.3
89.02325	1.2
93.03370	0.7
95.01299	0.3
97.02849	0.3
99.00796	0.4
101.02354	1.9
109.02811	0.3
111.00799	0.5
113.02363	1.6
119.03408	0.5
120.99532	0.2
125.02368	0.2
133.02902	1.0
135.04485	0.9
143.03505	0.3
145.02850	0.3
146.02393	0.3
152.99590	0.3
161.02390	2.8
161.04521	0.8
173.04504	0.4
179.03494	0.6
185.18353	0.2
191.05588	1.7
205.73611	0.2
250.46515	0.3
293.00711	0.2
329.23517	0.3
342.14166	0.5
354.10413	0.2
383.24380	1.3
401.25317	2.4
401.29364	0.2
402.25690	0.4
443.25699	1.1
461.23862	0.5
461.31470	0.4
503.21204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96612	0.2
51.25828	0.2
51.85815	0.2
56.91260	0.2
57.55259	0.2
59.01266	100.0
60.01592	1.3
67.04307	0.2
69.03369	0.3
69.56175	1.4
71.01279	2.6
72.99216	0.4
73.02853	1.0
83.01285	0.4
85.02856	1.4
85.03305	0.2
87.00797	0.4
89.02347	1.4
93.03402	0.3
95.01322	0.3
99.00845	0.3
101.02332	1.6
113.02362	1.3
119.03439	0.6
125.02462	0.2
133.02898	0.7
135.04449	0.6
155.03667	0.2
161.02409	2.0
161.04517	0.7
179.03482	0.4
179.05588	0.3
191.05600	0.6
274.34515	0.2
299.25946	0.3
342.13916	0.3
401.25531	0.8
436.27676	0.2
443.30972	1.2
461.24573	0.5
461.31396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.3
58.71871	0.3
59.01267	100.0
59.80654	0.3
60.01605	1.9
61.01695	0.5
62.31829	0.3
69.94927	1.5
71.01276	2.3
72.99200	0.4
73.02850	0.4
75.00768	0.3
83.01264	0.3
85.02821	1.4
87.00819	0.3
89.02372	1.0
93.03381	0.6
96.95871	0.3
99.00784	0.4
101.02338	1.3
111.00840	0.4
113.02374	1.2
116.92762	0.6
117.92819	0.4
119.04961	0.4
133.02933	0.4
135.04501	0.4
145.02931	0.6
161.02396	0.6
161.04543	0.7
163.04051	0.3
173.04576	0.3
177.01924	1.4
179.03523	0.3
191.05574	2.3
195.06552	0.3
249.06297	0.5
253.18117	2.6
254.18695	0.3
265.65042	0.3
383.25510	0.3
401.25705	1.8
425.75284	0.3
433.70251	0.3
443.26584	3.4
444.27094	0.5
503.11176	0.3
503.24731	2.7
504.25732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90045	0.1
55.01772	0.5
57.03336	1.1
57.58087	0.1
58.00476	0.2
59.01265	100.0
60.01603	1.4
61.01684	0.2
61.98717	0.3
64.93324	0.1
66.51005	0.1
69.03371	0.3
69.25250	0.6
69.25685	0.7
71.01273	4.3
72.99210	0.3
73.02834	1.5
83.01283	1.9
85.02842	3.1
85.06496	0.2
85.99995	0.2
87.00780	0.5
89.02338	0.3
90.56081	0.1
95.01292	0.5
97.02877	0.4
98.20580	0.3
99.00780	0.7
101.02345	3.4
101.02998	0.2
111.00780	0.9
111.04535	0.2
112.01656	0.2
113.02370	2.4
115.04022	0.1
117.03360	0.2
125.02409	0.4
126.62143	0.1
126.91624	0.1
128.72821	0.1
133.02910	0.2
135.04434	0.2
135.49893	0.1
143.03490	0.4
145.02928	0.5
150.76862	0.1
159.02948	0.4
161.02419	0.1
161.04546	1.1
173.04543	0.2
191.05675	0.3
204.07791	0.1
213.18640	0.4
218.80016	0.1
249.15038	0.1
299.26004	1.8
300.26370	0.2
306.78369	0.1
328.75983	0.2
349.20300	0.2
401.25439	0.2
413.29263	0.3
443.30316	8.7
444.30594	1.3
461.31311	7.4
462.31555	1.3
503.32767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40734	1.1
59.01264	100.0
60.01595	4.2
61.01685	3.3
61.98712	1.5
63.06733	1.1
71.01276	13.6
71.58253	1.3
72.99202	1.9
73.02830	6.6
75.00785	1.6
79.70674	1.1
83.01276	2.4
83.04925	1.8
85.02829	8.5
87.00797	3.7
87.04408	1.5
87.06165	1.2
89.02341	10.0
93.03361	5.5
97.02882	1.3
99.00748	1.9
99.04408	1.9
100.23756	1.1
101.02354	9.7
105.28169	1.2
107.73920	1.1
109.02856	2.0
111.04450	2.2
113.02390	7.0
117.03413	1.6
119.03426	1.7
125.02345	6.3
127.03906	1.2
129.01797	1.2
133.02878	15.6
134.03642	1.1
135.04446	16.9
137.02399	2.0
143.03456	1.6
145.02896	2.6
155.03453	1.1
159.64799	1.3
160.01564	1.3
161.02382	48.0
161.04536	4.1
162.02744	2.8
164.04768	3.2
173.04475	8.7
175.51537	1.1
176.04007	2.4
179.03442	14.3
179.07117	2.7
187.02419	2.1
191.05560	13.1
192.05846	1.4
197.08316	1.6
231.53311	1.2
257.05576	2.8
337.04016	1.3
338.08005	1.5
346.88531	1.4
353.08792	1.9
399.23972	3.8
417.25125	6.1
503.14926	6.8
503.33655	13.1
504.34058	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	503.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94519	1.0
55.36861	1.0
59.01264	100.0
60.01596	1.5
69.82384	5.5
71.01270	10.8
73.02829	2.8
75.00739	1.1
83.01286	1.3
85.02847	5.9
89.02343	2.9
93.03371	1.5
95.01281	1.3
99.00751	1.5
101.02327	2.9
112.97296	0.9
113.02366	7.3
131.64957	0.9
133.02859	3.3
134.03671	1.7
135.04475	2.5
137.02345	2.9
148.30006	1.0
161.02386	9.5
161.04495	3.0
162.02682	1.5
165.03961	2.9
173.04575	1.2
179.03401	1.6
179.05591	1.3
191.05560	5.1
193.05008	3.2
341.08777	1.9
399.23938	18.5
400.24249	2.5
417.24863	5.5
459.05231	1.1
459.26047	1.6
503.25458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	3.9
57.03337	3.8
59.01267	68.2
60.01607	4.9
60.83690	0.8
61.01693	1.6
61.33213	0.8
61.98720	39.7
69.03352	1.9
71.01273	40.9
71.60456	1.4
72.99194	3.0
73.02838	19.3
74.94987	0.8
75.00770	1.8
78.95819	0.8
83.01279	5.2
85.02844	20.2
86.03223	0.8
87.00789	4.1
89.01817	1.4
89.02338	11.5
89.30413	0.8
93.03362	3.5
95.01292	3.6
95.01842	0.7
96.95924	1.8
97.02873	2.6
99.00783	9.3
101.02351	28.0
102.36752	0.8
111.00780	1.4
113.02369	18.9
114.02705	1.2
115.03947	2.1
119.03391	0.8
119.04982	1.6
125.02370	3.5
131.03419	1.7
133.02901	1.0
134.03680	1.4
135.04449	3.6
137.02327	1.2
143.03415	1.5
145.02953	1.6
149.04539	2.1
152.07016	1.0
159.02930	2.9
160.22339	0.8
161.02437	1.3
161.04500	12.2
163.03975	3.1
173.04506	3.1
178.06310	2.5
179.05582	1.2
191.05609	9.1
193.08676	5.4
193.10324	0.8
224.45612	0.8
233.06706	2.0
237.14940	2.9
267.07248	1.0
293.08865	1.6
311.15094	18.3
312.15463	1.9
432.39481	0.9
443.19315	100.0
444.19662	13.5
451.51181	0.9
459.22540	7.0
460.18716	1.0
503.19739	4.6
503.33218	8.8
504.18347	2.0
504.25577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2298
Annotation	Xanthanthusin G
Peak:m/z	Relative Intensity
55.01791	0.2
57.03325	0.2
59.01266	14.7
61.98720	0.4
68.99709	1.9
69.03334	0.3
71.01270	2.8
73.02852	1.2
74.85921	0.2
83.01279	0.6
85.02850	1.8
87.00769	0.4
89.02357	0.4
93.03371	0.6
95.01228	0.2
99.00761	0.4
101.02356	1.9
111.00787	0.3
111.96479	0.2
113.02364	1.3
115.05436	0.6
116.18358	0.2
117.03380	23.2
118.03722	0.9
119.04946	13.2
120.05303	0.7
121.02877	0.7
121.80820	0.2
124.63585	0.2
125.02380	0.3
133.02884	0.6
135.04453	0.4
137.02315	0.2
143.04967	13.9
144.05286	0.9
145.02888	100.0
146.03224	4.9
147.04491	0.3
157.06494	0.6
159.02914	0.3
161.02403	0.4
161.04550	0.8
161.06056	1.3
163.03957	11.8
164.04277	0.6
187.03975	22.7
188.04324	1.5
191.05602	0.5
205.05035	1.7
311.28555	0.2
315.18140	1.2
381.22913	0.3
383.16922	0.4
423.23730	0.2
443.20865	4.7
444.21060	0.7
461.21951	2.5
462.22156	0.3
503.22964	68.7
504.23328	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	503.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.3
57.03339	3.6
58.00488	0.7
59.01266	20.1
60.99204	0.3
67.01777	1.1
68.99699	1.5
69.03352	1.6
69.26982	1.3
69.27412	1.6
71.01270	26.5
71.04906	2.1
72.01618	0.4
72.99203	5.5
73.02850	1.6
74.76541	0.3
75.00765	20.4
81.03349	0.9
83.01277	1.2
83.04931	1.8
83.05352	0.3
84.02052	0.5
85.02845	30.4
86.03176	0.4
87.00772	9.8
88.98698	0.4
89.01820	0.5
89.02345	7.0
91.03888	0.8
91.05439	2.9
93.03358	0.8
95.01289	7.0
95.04901	0.6
97.02876	0.7
97.06489	0.4
98.19740	0.6
99.00784	11.3
99.04411	1.2
101.02335	0.9
101.05994	3.3
101.06604	0.5
102.94051	0.3
103.00270	2.9
103.54874	0.3
109.02888	0.5
109.06499	0.6
111.00800	0.8
111.04436	0.3
111.08032	0.3
112.01575	0.8
113.02359	38.1
114.02677	0.9
115.00314	2.0
117.01856	3.7
127.03957	0.4
129.01854	2.5
130.99857	0.4
131.03419	1.0
149.04482	0.6
149.13341	0.5
149.86763	0.3
150.67329	0.3
157.01355	0.9
159.11676	0.6
161.04343	0.3
161.13303	8.0
162.13620	0.6
175.02454	2.9
179.14377	3.0
180.14897	0.3
187.11227	0.3
189.03955	0.5
191.05554	0.7
191.14371	1.0
205.07176	1.8
205.12436	0.3
207.05070	1.5
209.15508	1.0
223.08302	0.8
231.05251	1.4
234.35172	0.3
235.13463	0.5
249.06197	20.0
250.06604	0.8
253.14510	3.6
267.07281	50.4
268.07660	3.3
331.24847	0.3
368.11295	0.4
406.48965	0.3
485.20386	1.6
503.21481	100.0
504.21796	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54720	0.4
55.01758	0.6
57.03341	2.1
57.23278	0.3
59.01268	28.3
60.01597	1.2
61.01674	0.9
67.01774	0.8
68.99715	0.9
69.03358	0.5
71.01273	15.7
71.61218	0.7
72.01603	0.5
72.99208	4.4
73.02839	0.9
75.00767	10.3
83.01287	1.3
83.04916	0.8
85.02847	14.9
87.00282	0.7
87.00776	4.9
88.01122	0.4
89.02345	5.1
91.03880	0.4
93.03354	1.7
95.01293	3.1
95.04934	0.6
97.06480	1.5
99.00786	7.4
101.02353	3.0
103.00282	1.3
105.42448	0.4
109.02897	0.6
109.06467	0.4
111.00758	0.7
112.01672	0.3
113.02364	16.6
115.00251	1.7
116.92758	0.6
117.01853	1.2
118.92638	0.5
119.03415	1.0
119.04941	0.9
123.08105	1.0
129.01857	1.0
131.03442	0.4
133.02896	0.6
135.04474	0.9
137.02319	0.4
139.00262	0.4
145.02936	0.5
157.01358	0.9
161.02408	1.2
161.04515	0.9
163.03911	0.7
163.37169	0.4
173.04495	1.5
173.13353	0.7
175.02412	1.8
177.01907	1.2
179.03450	0.7
179.05661	0.6
189.04022	0.6
191.05560	3.4
191.14404	7.7
192.14760	0.7
207.05086	0.6
209.15472	40.9
210.15800	3.2
211.04207	0.4
217.12308	1.1
231.05133	1.0
235.13431	2.2
249.06198	10.1
250.06464	0.4
253.14482	5.2
257.05582	0.4
267.07278	13.3
268.07690	0.5
286.77548	0.4
327.18137	3.8
328.18555	0.5
341.09998	0.5
441.21494	3.0
459.22281	0.4
485.20288	2.4
503.21481	100.0
504.21808	15.2
504.29202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45905	0.5
50.76403	0.5
51.13417	0.5
51.15377	0.5
52.01530	0.5
53.09355	0.5
57.03335	2.4
59.01266	15.1
67.01765	0.7
68.99706	1.1
69.03345	1.4
69.79822	2.5
69.80231	1.1
71.01270	16.1
71.04918	4.2
71.42660	0.5
72.99207	3.8
73.02830	1.5
75.00768	12.9
75.65512	0.5
78.95798	3.6
79.46432	0.5
81.03336	1.0
83.01263	0.9
83.04926	1.3
85.02842	20.8
85.03359	1.1
86.72652	0.5
86.87830	0.5
87.00769	8.7
89.02336	5.0
93.03370	1.5
95.01289	4.5
96.95912	0.6
96.96864	2.7
97.02843	0.9
98.88138	0.6
99.00771	8.0
99.04422	1.8
101.02347	1.0
103.00282	1.8
104.26792	0.6
109.02911	0.6
111.04435	0.7
113.02357	26.8
114.02747	0.9
115.00301	1.5
117.01846	2.3
119.04908	0.5
123.08050	0.7
129.01837	1.1
131.03395	0.8
149.04526	1.1
161.13306	11.6
162.13649	1.0
175.02411	2.1
179.14418	1.1
189.03952	0.7
191.05621	2.9
205.07214	0.6
207.04996	1.4
219.85890	0.5
223.08197	0.9
231.05064	0.8
233.09366	1.4
249.06194	16.4
250.06458	0.9
253.14499	2.9
267.07263	42.8
268.07458	2.5
338.91010	0.6
341.06671	0.6
373.74661	0.6
485.20364	1.4
503.21463	100.0
504.21796	15.9
523.83533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	3.9
57.03337	3.8
59.01267	68.2
60.01607	4.9
60.83690	0.8
61.01693	1.6
61.33213	0.8
61.98720	39.7
69.03352	1.9
71.01273	40.9
71.60456	1.4
72.99194	3.0
73.02838	19.3
74.94987	0.8
75.00770	1.8
78.95819	0.8
83.01279	5.2
85.02844	20.2
86.03223	0.8
87.00789	4.1
89.01817	1.4
89.02338	11.5
89.30413	0.8
93.03362	3.5
95.01292	3.6
95.01842	0.7
96.95924	1.8
97.02873	2.6
99.00783	9.3
101.02351	28.0
102.36752	0.8
111.00780	1.4
113.02369	18.9
114.02705	1.2
115.03947	2.1
119.03391	0.8
119.04982	1.6
125.02370	3.5
131.03419	1.7
133.02901	1.0
134.03680	1.4
135.04449	3.6
137.02327	1.2
143.03415	1.5
145.02953	1.6
149.04539	2.1
152.07016	1.0
159.02930	2.9
160.22339	0.8
161.02437	1.3
161.04500	12.2
163.03975	3.1
173.04506	3.1
178.06310	2.5
179.05582	1.2
191.05609	9.1
193.08676	5.4
193.10324	0.8
224.45612	0.8
233.06706	2.0
237.14940	2.9
267.07248	1.0
293.08865	1.6
311.15094	18.3
312.15463	1.9
432.39481	0.9
443.19315	100.0
444.19662	13.5
451.51181	0.9
459.22540	7.0
460.18716	1.0
503.19739	4.6
503.33218	8.8
504.18347	2.0
504.25577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.1
58.00475	0.6
59.01265	23.7
68.99702	1.1
69.03338	1.0
69.58590	0.8
69.58997	3.5
71.01270	24.4
71.04905	0.5
72.99203	3.9
73.02842	4.8
75.00770	10.0
81.03338	0.8
83.01268	1.0
83.04910	2.1
85.02843	15.7
87.00779	5.3
89.02341	25.7
91.05424	1.0
93.03359	0.9
95.01295	4.0
97.02873	0.8
97.06480	0.5
99.00162	1.0
99.00778	11.9
99.04411	0.8
101.02351	9.5
101.05959	0.7
103.00252	1.1
111.00820	0.6
112.01514	0.6
113.02361	24.5
114.02706	0.6
115.00251	1.0
117.01839	2.2
119.03408	1.2
121.06481	0.6
125.02319	1.1
129.01926	1.1
131.03439	4.2
143.03497	0.7
145.02878	0.7
149.04509	19.8
157.01398	0.9
161.04506	1.1
161.13326	3.9
163.03993	0.5
173.04488	0.9
175.02444	1.8
179.14363	1.7
181.76768	0.5
191.05595	4.7
205.07196	1.6
207.05118	0.7
221.06619	0.9
249.06201	13.3
251.07881	1.1
253.14520	3.7
267.07272	47.5
268.07556	2.8
293.08832	0.7
311.09744	0.6
485.20389	1.5
486.20746	0.6
503.21436	100.0
504.21729	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	503.1626
Annotation	fagopyritol B2
Peak:m/z	Relative Intensity
51.69070	1.0
54.41711	1.1
55.01761	1.7
57.03323	2.6
58.00467	4.0
59.01263	95.4
60.01575	1.5
71.01269	90.9
71.56955	1.7
72.99183	6.9
73.02823	3.7
83.01258	4.0
85.02842	19.7
87.00785	8.5
89.02335	100.0
90.02683	2.8
95.01310	6.5
96.96862	3.2
97.02812	1.5
99.00780	1.9
99.04417	1.4
99.57000	1.4
101.02342	55.3
102.02680	2.0
113.02357	47.8
114.02662	2.4
119.03425	26.9
125.02365	3.4
131.03429	6.0
143.03445	12.4
149.04507	4.6
161.04494	18.1
172.24306	1.3
179.05571	55.1
180.05872	1.8
180.84186	1.1
191.05565	22.2
251.73877	1.3
323.09897	39.3
324.10312	2.2
341.10907	5.0
383.11777	2.7
503.16284	58.3
504.16782	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	503.1629
Annotation	fagopyritol B2
Peak:m/z	Relative Intensity
51.43682	1.2
55.01765	1.7
57.03334	2.5
58.00478	4.1
59.01264	91.0
66.66979	1.1
67.10949	1.5
68.54256	1.2
70.38073	4.9
71.01270	93.5
72.01604	1.4
72.99194	5.8
73.02840	4.5
79.25008	1.3
83.01279	4.0
85.02840	20.2
87.00767	4.4
89.02338	100.0
90.02693	2.1
95.01278	5.1
99.00815	2.0
101.02343	51.2
113.02357	47.6
113.03149	1.5
119.03421	30.9
125.02332	2.2
131.03421	4.6
143.03445	13.7
149.04498	3.8
161.04500	16.3
167.83829	1.2
179.05580	42.0
180.05881	1.6
221.06651	1.3
305.39371	1.5
323.09866	43.4
324.10287	2.4
341.10892	7.2
410.68875	1.5
499.45547	1.3
503.16321	79.7
504.16544	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	503.1571
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
56.20948	0.4
59.01265	10.5
67.64686	0.4
71.01266	6.6
73.02831	1.2
78.95793	1.5
83.02975	0.5
85.02859	3.0
87.00755	0.5
89.02348	1.1
92.51727	0.4
93.03367	0.8
95.01272	0.9
96.96866	1.4
96.99239	2.7
101.02343	1.6
108.02081	5.1
109.02920	0.5
113.02362	3.7
115.00233	1.1
115.05421	1.7
116.92765	0.7
117.03372	1.0
119.04967	0.6
121.02869	1.1
123.04435	4.5
125.02376	0.6
130.08649	0.6
133.02866	2.0
134.03653	7.1
135.04453	3.7
137.02370	0.8
142.97650	0.4
143.04950	0.6
145.02890	2.8
146.03665	2.1
147.04471	6.7
149.06001	1.8
153.05518	0.8
158.03659	1.3
159.04485	2.0
160.05186	1.8
161.02409	5.2
161.04526	0.5
161.06020	1.3
164.04750	0.7
172.05319	0.4
173.04649	0.8
173.06027	1.8
175.04024	0.8
178.02585	1.5
179.03529	2.2
179.04883	0.4
187.07700	0.5
189.01901	0.6
189.05553	0.8
190.06277	0.9
191.05573	2.0
192.04251	0.5
193.05002	4.2
201.53337	0.4
205.08694	0.7
206.05753	0.7
207.08159	0.9
209.09514	0.6
210.06857	14.7
211.07243	0.9
219.08203	2.4
221.09695	1.2
222.06877	2.7
223.07672	1.0
225.09222	9.5
226.06343	0.9
229.01334	0.5
233.09433	1.6
234.06825	1.3
235.07645	11.1
236.08435	16.8
237.09204	11.5
238.09985	10.4
239.10417	1.0
243.02963	0.4
245.06047	0.5
247.07707	0.9
249.09186	0.8
251.10814	12.3
252.11433	1.7
253.12376	6.1
263.07196	7.0
264.07941	8.1
265.08368	1.3
271.02573	0.7
278.09647	2.0
279.10330	7.2
296.10834	0.5
297.11349	0.9
299.02039	1.0
300.02692	1.6
301.03201	0.7
307.06116	2.6
308.06607	0.7
311.12817	0.7
322.08441	1.2
323.09396	2.5
341.09915	1.3
341.13943	4.7
341.20767	0.6
342.14407	0.7
358.92947	0.4
411.16663	0.6
467.19147	0.5
485.14862	0.9
500.50494	0.4
503.15671	100.0
504.16031	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	502.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00269	0.0
58.00515	0.0
59.01265	1.0
59.78511	0.0
59.98410	0.0
61.84051	0.0
61.98709	0.0
62.96287	0.0
66.19392	0.0
69.28674	0.1
70.30251	0.0
71.01260	0.3
78.95793	6.8
83.04899	0.2
88.99490	0.0
96.96876	0.1
97.06509	0.1
98.19788	0.0
99.04396	0.1
104.97359	0.0
112.31837	0.0
112.46870	0.0
113.05998	0.1
122.98502	0.0
127.07542	0.2
141.09149	0.1
152.99518	0.8
161.44298	0.0
168.04263	2.0
169.15967	0.0
171.00616	0.1
182.12781	0.0
197.11826	0.1
205.19624	0.1
208.14517	0.0
224.06938	1.2
225.07243	0.1
230.85590	0.0
233.15819	0.0
233.22743	0.4
242.08009	3.4
243.08357	0.1
259.20673	0.5
260.21252	0.1
275.20151	0.4
277.21765	100.0
278.22101	10.0
299.02072	0.1
502.29498	10.8
503.29852	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2946
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
58.18845	0.1
59.01260	1.3
61.98730	0.2
62.96283	0.1
69.53593	0.2
69.53989	0.6
71.01271	0.3
78.95792	24.9
83.04940	0.2
96.96869	0.4
98.75283	0.1
99.04414	0.1
104.97380	0.1
113.06019	0.1
122.98441	0.3
127.07575	0.2
134.98511	0.2
144.81274	0.1
146.86787	0.1
150.98065	0.1
152.99521	3.3
153.99858	0.1
168.04262	3.7
169.04649	0.2
171.00591	0.2
180.43147	0.1
184.57213	0.1
194.05795	0.2
203.42488	0.1
205.12453	0.1
205.19598	0.1
224.06927	12.4
225.07217	0.4
231.21184	0.1
233.22841	0.4
242.08018	2.9
243.08409	0.2
244.27901	0.1
245.04343	0.2
259.20578	0.5
275.20261	0.6
277.21768	100.0
278.22110	10.8
413.20923	0.2
426.19193	0.1
456.31735	0.1
502.29504	38.5
503.29858	6.5
510.88693	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	501.3236
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.03336	0.2
59.01257	0.6
67.01785	0.3
68.61153	0.2
69.03334	0.4
69.60629	1.2
75.33298	0.2
83.04919	8.7
84.05291	0.2
97.06503	0.3
98.20523	0.3
99.04422	19.4
100.04746	0.4
101.05988	100.0
101.83056	0.1
102.06318	2.9
103.23441	0.1
105.07016	0.2
111.04416	0.3
111.08062	0.1
124.73291	0.2
125.09673	0.3
128.90239	0.2
149.64232	0.2
158.77698	0.1
167.10686	0.2
187.11284	0.4
203.40729	0.1
237.23212	0.1
299.20255	2.9
300.20544	0.3
317.21237	3.2
318.21725	0.4
335.22485	1.1
355.26450	0.5
399.25494	37.6
400.25830	5.8
401.26892	0.3
417.26324	0.2
419.28165	0.2
501.32343	44.6
502.32660	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	502.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
61.98720	100.0
64.49280	0.3
69.95390	1.0
69.95794	0.6
78.95821	0.8
85.96629	0.3
87.04436	0.4
106.78902	0.3
141.03247	0.3
149.22437	0.3
151.70671	0.3
152.99405	0.3
196.03847	0.4
197.36115	0.3
277.21909	0.9
305.24911	3.9
432.76959	0.4
502.30054	1.0
503.29987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.0
67.41528	0.3
71.07167	0.8
71.22794	0.2
83.04923	4.3
87.89850	0.3
96.95071	0.3
97.06512	0.5
99.04420	13.3
101.05987	100.0
102.06312	2.9
125.09645	0.3
147.16992	0.3
153.14285	0.2
167.10712	0.4
185.48485	0.3
187.11209	0.3
232.84819	0.2
265.84641	0.3
299.20151	2.9
299.23065	0.3
317.21259	3.7
318.21628	0.4
335.22357	1.7
355.26572	0.5
399.25500	32.9
400.25821	5.0
501.32361	42.2
502.32727	8.2
529.84821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01594	1.3
60.31585	0.2
70.58687	0.4
71.01277	0.5
73.02840	0.2
77.56712	0.2
85.02867	0.3
89.02338	0.3
101.02343	0.2
113.02365	0.2
116.39848	0.2
120.90835	0.2
126.35780	0.2
133.02916	0.3
134.03662	0.4
135.04459	0.5
160.10204	0.2
161.02409	1.0
179.03522	0.3
193.05132	0.4
297.90482	0.2
337.91705	0.2
399.23862	0.3
496.70779	0.2
501.14282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65798	0.2
59.01266	100.0
60.01604	1.5
67.13242	0.2
67.63786	0.2
69.32939	0.2
69.48757	1.7
71.01275	2.5
72.99199	0.4
73.02840	1.3
75.00765	0.3
83.01277	0.5
85.02853	1.3
86.92213	0.2
87.00787	0.7
89.02328	0.9
93.03351	1.8
95.01311	0.4
99.00795	0.4
101.02334	1.7
105.67582	0.2
106.73033	0.2
111.00811	0.3
111.04478	0.2
113.02360	1.9
119.03453	0.3
119.04929	1.0
121.02904	0.3
130.08672	0.6
133.48033	0.2
134.03767	0.2
135.04491	0.5
136.20035	0.2
137.02446	0.5
145.02890	0.5
155.03484	0.5
161.02449	0.2
161.04507	0.6
163.03917	1.0
173.04480	2.0
179.05670	0.2
190.13417	0.2
191.05586	4.6
192.05986	0.5
197.09755	0.2
211.07674	0.5
249.06261	0.3
250.06781	0.3
257.11990	0.2
267.07324	0.5
273.23721	0.2
281.08887	0.6
283.02808	0.2
327.08676	1.3
383.25818	0.2
404.69968	0.4
414.11676	0.2
415.23248	0.3
436.39252	0.2
441.25497	0.3
467.68576	0.3
501.13806	0.4
501.20059	0.9
502.26901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01603	1.3
65.03817	0.2
71.01271	1.1
71.37021	0.2
71.37341	0.3
72.33397	0.2
73.02837	0.3
75.00789	0.3
85.02851	0.7
89.02357	0.4
99.00796	0.2
101.02364	0.7
113.02390	0.7
144.86876	0.2
161.04529	0.4
172.84764	0.2
238.20555	0.2
242.45135	0.2
249.06146	0.3
267.07428	0.5
315.55487	0.2
325.16647	0.2
399.23804	0.8
441.25372	0.4
501.20016	1.5
501.26837	0.3
502.19983	0.2
503.09387	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.2
59.01268	100.0
60.01607	1.1
68.54955	0.2
70.47800	0.6
71.01276	1.2
73.02880	0.2
74.33312	0.2
75.00761	0.2
85.02418	0.2
85.02823	0.9
93.03936	0.2
99.00819	0.2
101.02351	0.5
110.92040	0.2
113.02386	1.0
161.04462	0.3
166.75607	0.2
181.53091	0.2
242.55453	0.2
248.08658	0.2
267.07339	1.0
280.82175	0.2
281.74091	0.2
306.71362	0.2
399.24014	0.8
441.25089	0.5
501.20190	1.8
501.27060	0.4
503.47125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01587	1.4
70.58157	0.4
70.58527	0.8
71.01265	0.5
80.81682	0.2
85.02865	0.4
88.14150	0.3
101.02369	0.2
113.02377	0.3
117.03365	0.5
119.04996	0.3
120.91349	0.2
128.11787	0.2
142.53360	0.2
145.02890	1.7
151.17804	0.3
161.02434	0.3
161.04497	0.4
163.04002	0.6
179.33215	0.2
187.03996	0.4
191.05603	0.4
275.82346	0.2
399.24072	0.4
441.24979	0.5
457.14996	0.4
458.15424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28728	0.1
57.03333	0.2
59.01268	100.0
60.01606	1.2
67.01796	0.2
69.03386	0.2
69.40849	0.6
69.41276	0.8
71.01270	3.3
72.99205	0.3
73.02840	1.9
75.00779	0.8
83.01287	0.8
85.02850	2.7
87.00745	0.8
89.02343	1.4
89.10335	0.2
93.03370	2.7
95.01304	0.7
95.74029	0.2
96.95951	0.2
97.02863	0.2
99.00813	0.7
101.02354	2.4
111.00811	0.6
111.04457	0.6
113.02357	2.9
117.03384	0.2
119.03448	0.4
119.04945	1.2
121.02873	0.4
127.03889	0.4
129.01935	0.2
131.03500	0.2
133.02898	0.3
135.04472	0.4
137.02397	0.4
139.00388	0.2
143.03470	0.4
143.04979	0.3
145.02914	0.6
145.39777	0.2
149.04530	0.2
155.03500	0.4
161.02448	0.4
161.04553	0.8
163.03979	0.7
164.04453	0.2
173.04514	2.5
175.03954	0.2
179.03345	0.2
191.05594	8.1
192.05994	0.6
193.04951	0.2
195.08180	0.3
197.09746	0.4
211.07669	0.5
223.07828	0.2
237.09323	0.2
239.10832	0.3
249.06236	0.5
251.12982	0.2
255.03137	0.2
259.07407	0.2
265.08850	0.6
267.07303	2.0
283.02649	0.4
283.09900	0.4
284.03345	0.2
299.01984	0.2
309.07761	0.3
319.08438	0.2
327.08722	1.9
327.11819	0.2
328.09177	0.5
337.09857	0.2
405.20367	2.5
405.70596	0.9
406.20737	0.2
414.11615	0.2
441.17972	0.3
457.20917	0.3
501.13489	0.3
501.20020	2.6
501.26532	0.3
502.20929	0.4
503.33759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01599	1.3
69.95612	0.3
71.01266	3.0
71.34190	0.3
71.34527	0.5
73.02840	5.9
79.07417	0.3
83.01283	1.9
85.02863	0.8
87.85165	0.3
89.02357	1.1
101.02339	5.7
113.02367	2.1
119.03452	0.6
119.16617	0.3
131.03455	0.6
143.03459	0.7
149.04546	1.2
161.04488	2.3
209.65800	0.3
221.06834	0.4
347.09515	0.3
381.23083	0.8
385.02945	0.3
399.23718	0.7
400.34982	0.4
423.74130	0.3
441.25055	1.2
503.07013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49825	0.9
55.01770	1.7
57.03342	6.3
59.01265	87.7
60.62810	1.1
67.01775	3.3
68.99718	1.8
69.03350	2.0
69.35551	10.7
71.01270	37.8
71.04919	3.7
72.99184	6.0
73.02840	4.5
75.00767	23.2
81.03342	2.0
83.01286	3.2
83.04903	5.3
84.46349	1.0
85.02843	35.0
87.00778	12.7
89.02339	12.8
91.03928	1.4
93.03359	22.1
94.03688	1.1
95.01279	8.7
96.72006	1.0
97.02856	1.4
97.06470	1.4
98.20637	1.1
99.00774	13.3
99.04424	1.2
101.02346	8.0
101.06001	2.4
103.00279	3.3
109.02863	3.1
111.00820	1.2
111.04455	8.2
112.01583	1.0
112.83329	1.1
113.02361	40.0
115.00289	2.4
117.01855	3.5
117.03368	3.0
118.55050	1.0
119.03519	1.6
119.04945	35.5
120.05260	1.5
121.02875	80.4
122.03207	3.6
123.04455	1.2
125.02367	1.0
127.03921	3.8
129.01859	4.4
131.03439	2.9
135.04445	2.4
137.02400	7.3
145.02887	23.0
146.03194	1.4
149.04497	1.5
155.03452	13.1
157.01317	1.2
159.11751	8.6
161.04483	2.0
163.03958	32.8
173.04517	63.1
174.04811	3.3
175.02455	3.8
175.11208	1.1
177.05493	5.0
177.12798	3.7
179.03418	2.1
179.05568	1.3
181.05035	46.5
182.05347	2.0
189.12892	1.7
191.05582	41.2
192.04213	2.1
192.05905	3.8
193.06114	1.5
196.07333	1.4
205.06995	1.2
207.06635	3.2
211.07765	1.8
211.09744	3.7
223.07780	1.8
231.05157	1.4
233.06592	2.0
233.11847	1.6
237.09215	2.2
239.10922	1.3
249.06189	32.2
250.06525	1.2
251.12906	10.5
252.13371	1.1
265.08710	1.1
267.07272	71.6
268.07660	3.0
283.09775	2.9
309.07849	1.2
319.08313	28.2
320.08804	2.6
327.08765	5.2
337.09525	5.1
355.10428	22.1
356.10709	2.1
397.14819	1.4
483.19540	1.4
501.14536	6.1
501.19913	100.0
502.13483	1.9
502.20255	15.3
523.87378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49825	0.9
55.01770	1.7
57.03342	6.3
59.01265	87.7
60.62810	1.1
67.01775	3.3
68.99718	1.8
69.03350	2.0
69.35551	10.7
71.01270	37.8
71.04919	3.7
72.99184	6.0
73.02840	4.5
75.00767	23.2
81.03342	2.0
83.01286	3.2
83.04903	5.3
84.46349	1.0
85.02843	35.0
87.00778	12.7
89.02339	12.8
91.03928	1.4
93.03359	22.1
94.03688	1.1
95.01279	8.7
96.72006	1.0
97.02856	1.4
97.06470	1.4
98.20637	1.1
99.00774	13.3
99.04424	1.2
101.02346	8.0
101.06001	2.4
103.00279	3.3
109.02863	3.1
111.00820	1.2
111.04455	8.2
112.01583	1.0
112.83329	1.1
113.02361	40.0
115.00289	2.4
117.01855	3.5
117.03368	3.0
118.55050	1.0
119.03519	1.6
119.04945	35.5
120.05260	1.5
121.02875	80.4
122.03207	3.6
123.04455	1.2
125.02367	1.0
127.03921	3.8
129.01859	4.4
131.03439	2.9
135.04445	2.4
137.02400	7.3
145.02887	23.0
146.03194	1.4
149.04497	1.5
155.03452	13.1
157.01317	1.2
159.11751	8.6
161.04483	2.0
163.03958	32.8
173.04517	63.1
174.04811	3.3
175.02455	3.8
175.11208	1.1
177.05493	5.0
177.12798	3.7
179.03418	2.1
179.05568	1.3
181.05035	46.5
182.05347	2.0
189.12892	1.7
191.05582	41.2
192.04213	2.1
192.05905	3.8
193.06114	1.5
196.07333	1.4
205.06995	1.2
207.06635	3.2
211.07765	1.8
211.09744	3.7
223.07780	1.8
231.05157	1.4
233.06592	2.0
233.11847	1.6
237.09215	2.2
239.10922	1.3
249.06189	32.2
250.06525	1.2
251.12906	10.5
252.13371	1.1
265.08710	1.1
267.07272	71.6
268.07660	3.0
283.09775	2.9
309.07849	1.2
319.08313	28.2
320.08804	2.6
327.08765	5.2
337.09525	5.1
355.10428	22.1
356.10709	2.1
397.14819	1.4
483.19540	1.4
501.14536	6.1
501.19913	100.0
502.13483	1.9
502.20255	15.3
523.87378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11016	0.2
55.01767	0.4
57.03334	1.6
58.00485	0.5
59.01266	100.0
60.01598	1.3
65.81170	0.2
67.01785	0.3
68.99695	0.3
69.03350	0.5
70.10929	0.5
70.11340	0.3
71.01273	15.5
72.01605	0.4
72.99197	2.3
73.02854	0.8
75.00765	7.5
80.02573	1.8
81.03369	0.3
83.01276	0.9
83.04926	0.2
85.02847	14.2
86.03202	0.2
87.00779	5.8
89.02344	5.4
91.03899	0.6
93.03366	0.5
95.01289	3.1
97.02887	0.2
99.00784	4.9
99.04420	1.9
101.02351	1.6
103.00269	1.4
111.00795	0.5
111.04444	0.3
112.01551	0.5
113.02360	20.1
114.02702	0.9
115.00301	1.0
117.01845	1.1
119.03415	0.6
119.04939	0.2
121.06508	0.4
129.01863	1.3
131.03436	0.6
138.21078	0.2
143.03430	0.2
149.04550	0.5
157.01382	0.6
161.04486	0.5
173.04514	0.3
175.02489	1.2
179.05557	0.4
187.06129	0.2
188.35431	0.2
189.12827	4.8
190.13107	0.2
191.05545	1.4
193.03568	0.2
205.07176	0.8
207.05060	1.1
207.13931	2.5
223.08174	0.4
233.11879	1.3
249.06233	3.9
250.06427	0.3
251.12921	1.7
263.69739	0.2
267.07278	29.0
268.07623	2.1
269.07770	0.7
325.16733	1.4
393.00330	0.2
398.69266	0.2
399.23807	0.4
430.48309	0.2
439.19763	1.6
440.20236	0.2
457.19897	0.9
483.19031	0.9
493.55609	0.2
501.19904	49.6
502.20242	8.0
502.25620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.6
57.03348	2.9
57.86657	0.4
58.00486	0.6
59.01265	66.2
60.01595	1.3
67.01784	0.9
68.99713	1.7
69.03338	1.2
69.31783	5.2
71.01270	23.5
72.99201	5.2
73.02851	1.7
75.00763	12.6
80.02547	3.3
81.03351	0.8
83.01283	1.0
85.02845	20.8
86.03184	0.5
87.00771	9.5
89.02344	8.0
91.03931	0.8
93.03363	1.0
95.01288	4.9
98.20592	1.0
99.00777	7.9
99.04428	4.0
101.02349	2.1
103.00298	1.9
109.02894	0.7
111.00794	0.6
111.04443	1.0
112.01579	0.7
113.02355	26.7
114.02735	0.5
115.00303	1.7
117.01861	1.9
119.03451	0.7
121.06519	0.8
129.01839	1.7
131.03462	0.7
135.04482	0.6
146.65247	0.5
157.01343	1.0
161.04503	1.0
174.10388	0.5
175.02464	2.7
179.03362	0.6
187.06137	0.5
189.03990	0.6
189.12831	12.8
190.13237	0.7
191.05638	1.9
205.07198	0.8
207.05127	0.9
207.13907	6.3
208.01869	0.5
208.14320	0.7
223.08345	0.9
231.05135	1.1
233.11861	2.5
234.12285	0.5
249.06174	14.1
250.06587	0.9
251.12915	5.2
267.07266	37.9
268.07687	2.5
325.16769	3.5
326.16959	0.6
424.33591	0.5
439.19858	3.4
440.20084	0.9
457.20779	0.8
483.18723	2.1
501.19910	100.0
502.20270	15.1
504.24997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11016	0.2
55.01767	0.4
57.03334	1.6
58.00485	0.5
59.01266	100.0
60.01598	1.3
65.81170	0.2
67.01785	0.3
68.99695	0.3
69.03350	0.5
70.10929	0.5
70.11340	0.3
71.01273	15.5
72.01605	0.4
72.99197	2.3
73.02854	0.8
75.00765	7.5
80.02573	1.8
81.03369	0.3
83.01276	0.9
83.04926	0.2
85.02847	14.2
86.03202	0.2
87.00779	5.8
89.02344	5.4
91.03899	0.6
93.03366	0.5
95.01289	3.1
97.02887	0.2
99.00784	4.9
99.04420	1.9
101.02351	1.6
103.00269	1.4
111.00795	0.5
111.04444	0.3
112.01551	0.5
113.02360	20.1
114.02702	0.9
115.00301	1.0
117.01845	1.1
119.03415	0.6
119.04939	0.2
121.06508	0.4
129.01863	1.3
131.03436	0.6
138.21078	0.2
143.03430	0.2
149.04550	0.5
157.01382	0.6
161.04486	0.5
173.04514	0.3
175.02489	1.2
179.05557	0.4
187.06129	0.2
188.35431	0.2
189.12827	4.8
190.13107	0.2
191.05545	1.4
193.03568	0.2
205.07176	0.8
207.05060	1.1
207.13931	2.5
223.08174	0.4
233.11879	1.3
249.06233	3.9
250.06427	0.3
251.12921	1.7
263.69739	0.2
267.07278	29.0
268.07623	2.1
269.07770	0.7
325.16733	1.4
393.00330	0.2
398.69266	0.2
399.23807	0.4
430.48309	0.2
439.19763	1.6
440.20236	0.2
457.19897	0.9
483.19031	0.9
493.55609	0.2
501.19904	49.6
502.20242	8.0
502.25620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.9
71.21108	1.9
71.21428	1.2
71.91325	1.1
99.04417	23.6
99.92486	21.0
100.04716	4.9
101.04892	1.1
115.91245	1.3
115.91990	6.3
116.92776	100.0
117.92786	6.7
137.38538	1.0
180.08574	1.0
385.00519	1.1
400.25827	2.9
401.14410	2.3
401.26547	5.5
454.59015	1.1
493.55829	1.0
500.30450	2.4
501.19614	37.9
501.30557	5.1
502.20062	9.8
510.75354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.2
57.03344	2.7
58.00478	0.6
59.01267	48.6
60.01608	0.7
64.61339	0.2
67.01790	0.9
68.99702	1.4
69.03336	1.2
70.52921	0.6
71.01274	23.0
72.01620	0.4
72.99201	5.0
73.02847	1.6
75.00768	15.2
80.02571	4.2
80.03013	0.4
81.02918	0.3
81.03360	0.7
83.01287	1.2
83.04910	0.8
85.02847	24.6
86.03189	0.5
87.00780	9.0
89.02346	6.3
91.03924	1.1
93.03379	1.0
95.01286	5.3
95.04891	0.3
97.02888	0.3
99.00784	10.5
99.04424	4.6
101.02344	1.5
103.00285	2.7
109.02895	0.4
111.00807	0.8
111.04468	0.4
112.01579	0.6
113.02363	27.7
114.02707	1.0
115.00283	2.1
115.03902	0.2
115.25520	0.3
117.01876	2.1
121.06499	0.8
124.88293	0.2
127.03902	0.3
129.01866	2.1
130.99864	0.2
131.03435	0.4
139.00314	0.4
143.75418	0.2
149.04547	0.7
157.01410	1.4
161.04482	0.5
175.02484	2.5
189.12846	13.4
190.13217	1.0
191.05647	1.2
205.07220	1.3
207.05074	1.2
207.13902	7.7
208.14314	0.3
223.08310	0.4
231.05228	1.2
233.11836	3.2
237.05946	0.3
249.06213	14.5
250.06564	0.7
251.12939	5.2
252.13333	0.6
267.07275	40.3
268.07648	2.1
325.16647	4.1
384.29312	0.3
439.19891	3.2
440.20184	0.5
457.21066	0.4
483.18832	2.7
484.19415	0.4
501.19919	100.0
502.20303	15.5
502.26776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04937	0.4
59.01260	3.2
59.29807	0.4
70.76154	1.1
78.95793	1.5
88.06590	0.5
93.39963	0.4
99.04404	2.8
99.92484	21.0
100.92490	1.1
100.93290	0.4
115.91988	5.5
116.92773	100.0
117.92784	6.0
117.93560	0.7
152.99530	1.8
159.10155	0.5
167.98770	0.8
168.04700	0.4
303.97473	0.4
401.14352	1.4
401.27075	0.8
402.14502	0.5
457.20737	0.9
463.21506	0.4
500.31351	0.7
501.19632	42.5
502.19876	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	501.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49332	0.6
59.01263	2.4
63.57885	0.5
66.09885	0.6
69.64783	4.8
93.88873	0.6
99.04433	3.8
99.92484	21.7
100.92517	1.2
108.91380	0.6
115.91992	6.3
116.92777	100.0
117.92781	6.9
135.44841	0.5
167.98825	0.7
199.68523	0.6
292.33383	0.6
401.14169	2.3
401.27112	1.6
457.20642	0.8
501.19675	47.1
502.19812	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	501.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.6
59.01265	32.3
61.98716	1.3
67.01778	4.0
67.14307	0.7
69.03338	1.9
70.40514	3.2
71.01268	7.3
71.11418	0.9
72.99191	2.2
73.02833	2.7
75.00765	1.5
78.95792	3.2
81.03350	2.7
83.01290	1.3
83.04908	2.7
85.02840	14.1
87.00771	6.2
89.02344	2.0
93.03363	41.4
94.03683	2.9
96.95895	1.9
96.96871	3.8
96.99316	0.8
97.02856	1.0
99.04420	1.1
101.02332	2.7
109.02854	1.9
111.00822	1.8
111.04433	11.4
113.02406	4.5
115.00269	0.8
117.03393	7.1
119.04942	55.7
119.13243	0.8
120.05286	3.0
121.02873	65.0
122.03204	2.8
123.04355	1.1
127.03910	2.7
129.94942	0.9
130.08667	0.9
131.04916	1.0
133.02870	2.1
134.03600	0.8
135.04463	8.4
137.02379	16.7
138.02739	0.9
143.04945	2.8
145.02893	38.3
146.03238	1.6
155.02213	1.3
155.03438	18.2
156.03719	1.0
158.03740	0.9
159.04388	1.0
161.02357	1.5
163.03958	56.3
164.04263	2.9
173.04512	100.0
174.04849	4.3
175.03947	0.9
179.03450	1.1
181.05032	44.5
182.05344	2.5
191.05586	99.9
192.05945	7.2
193.06158	1.4
195.08115	2.0
197.09647	1.6
203.03462	1.9
209.11815	1.5
211.07616	4.3
223.07590	1.3
227.07280	1.0
233.06773	1.5
233.09277	1.0
235.13362	1.0
237.09222	3.0
239.07304	1.1
239.10738	1.9
251.24959	0.9
253.08986	1.3
257.06070	0.8
265.08813	4.1
267.07242	4.0
275.09390	1.0
283.09778	1.9
309.07858	4.8
319.08304	59.3
320.08710	5.8
327.08810	19.7
328.09067	3.5
337.09323	4.4
337.34924	0.9
338.09775	1.1
339.08759	1.9
355.10455	22.2
356.10815	2.5
457.15173	1.2
483.13263	1.0
501.13812	17.6
501.19879	2.0
502.14380	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	501.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.3
59.01265	4.2
60.99200	0.4
61.21379	0.2
61.98724	0.7
67.01781	1.1
69.03358	0.5
71.01274	2.1
72.99210	0.3
73.02835	0.6
75.00777	0.4
75.29359	0.2
80.14594	0.1
81.03347	0.5
83.04919	0.6
85.02844	10.3
87.00774	4.0
89.02359	0.3
90.61541	0.1
93.03360	14.5
94.03690	0.5
95.01285	0.2
96.95892	0.2
96.99210	0.4
98.19825	0.4
99.00800	0.5
99.04453	0.6
101.02354	0.4
108.02132	0.3
109.02880	0.9
111.04420	2.2
113.02354	0.7
115.00317	0.3
115.03849	0.2
117.03374	0.6
117.45765	0.2
119.04951	5.2
120.05354	0.2
121.02888	0.8
123.04472	0.3
125.02363	0.3
127.03941	2.6
129.01865	0.5
130.04118	0.3
131.04967	1.1
133.02908	1.2
133.06499	0.8
134.03636	0.4
135.04494	0.9
137.02365	0.8
143.03813	0.3
143.04965	5.3
144.05304	0.4
145.02873	0.9
145.06523	0.2
147.04475	0.3
151.07642	0.3
155.03450	0.8
155.90416	0.2
159.04497	0.3
163.03964	3.6
171.02957	0.5
171.04489	0.6
173.04514	4.9
181.05020	0.5
191.05588	100.0
192.05934	4.4
193.05058	0.5
195.06627	1.3
196.06888	0.2
196.72685	0.2
203.03505	0.2
211.07652	2.2
212.08025	0.2
219.08228	0.3
223.07657	0.4
235.07649	1.2
237.09265	1.9
238.09587	0.2
239.10739	1.4
263.06976	0.3
265.08762	7.4
266.09137	0.8
283.09735	0.5
309.07709	2.4
310.08066	0.4
319.08325	0.2
327.08817	22.2
328.09174	2.1
337.09576	0.3
339.10480	0.2
439.15933	0.4
483.15472	0.2
501.14178	19.8
502.14468	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	501.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.6
57.38280	0.5
59.01267	23.1
59.29553	0.4
60.99191	0.8
61.66915	0.5
61.81677	0.5
67.01781	5.1
69.03349	1.6
69.59464	4.2
71.01266	6.3
72.99191	1.0
73.02835	1.2
75.00774	1.6
81.03349	1.5
83.01266	0.7
83.04913	2.8
84.42220	0.5
85.02850	5.0
87.00758	3.3
89.02349	2.3
93.03359	31.4
94.03724	1.3
95.01325	1.1
96.57692	0.5
96.95899	0.6
99.00779	1.6
99.04454	0.6
101.02361	1.3
107.04948	1.1
109.02875	2.0
111.00813	1.8
111.04435	11.2
113.02352	3.2
117.03385	9.6
119.04945	65.1
120.05283	3.0
121.02873	86.2
122.03225	3.1
123.04422	0.6
127.03935	2.0
130.08658	1.4
130.93309	0.5
135.04451	2.8
137.02376	18.5
138.02690	0.8
145.02892	55.9
146.03172	3.1
155.03439	26.4
156.03784	1.0
159.04373	0.5
161.04468	0.6
163.03961	66.8
164.04298	2.7
173.04512	100.0
174.04794	4.6
181.05032	34.1
182.05351	1.8
191.05591	20.1
192.05920	1.4
195.08072	2.6
203.03482	1.2
211.07652	1.5
233.06656	1.0
237.09126	0.8
239.07140	1.7
239.10832	0.6
240.07549	0.6
249.06255	1.1
253.08905	0.5
265.08789	1.0
267.07187	4.1
275.09332	0.8
283.09784	0.7
309.07748	1.5
319.08292	83.4
320.08572	8.2
327.08829	2.9
337.09427	4.2
355.10416	18.8
356.10684	2.3
483.19165	0.7
501.14001	29.2
501.20242	2.9
502.14386	5.4
502.20520	0.7
502.26559	0.8
514.04492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22101	0.2
57.03336	0.3
59.01269	1.1
60.99183	0.3
67.01776	0.9
69.03345	0.3
69.50127	1.5
71.01255	0.9
73.02836	0.4
81.03352	0.5
83.04920	0.5
85.02845	9.1
86.03198	0.2
87.00774	2.2
87.67658	0.2
93.03360	8.6
94.03686	0.2
96.95921	0.3
96.99201	0.3
99.04374	0.4
109.02848	0.7
111.04427	1.4
111.61320	0.2
117.03371	0.3
119.04951	3.4
127.03943	2.0
131.04927	0.5
133.02882	0.4
137.02379	0.3
143.04962	1.7
145.02885	0.2
145.06497	0.2
156.91248	0.2
163.03949	2.3
171.02945	0.8
171.04367	0.4
173.04500	2.9
191.05588	100.0
192.05916	4.2
211.07672	0.9
235.07613	0.4
235.78581	0.2
237.09207	0.8
239.10735	0.2
265.08740	2.8
266.09021	0.2
283.09622	0.2
309.07675	0.7
327.08820	13.5
328.09259	1.6
335.65570	0.2
337.09360	0.4
457.15317	0.3
501.14127	6.5
502.14499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93202	0.2
57.03328	0.3
58.41771	0.2
59.01264	2.4
62.85028	0.2
66.26333	0.2
67.01785	0.6
68.19346	0.2
69.03342	0.6
70.58477	0.7
71.01272	1.5
72.99197	1.7
73.02856	0.2
81.03340	0.6
83.04901	0.5
85.02843	8.0
87.00291	0.5
87.00771	4.1
93.03354	8.4
94.03674	0.3
96.95912	1.0
96.99216	0.3
97.02827	0.3
98.02363	0.4
99.04436	0.3
101.02356	0.4
104.21695	0.2
108.02065	0.9
109.02872	1.6
111.00790	0.3
111.04400	1.3
113.02366	0.7
119.04936	2.6
121.02856	1.3
123.04422	1.0
125.02328	0.3
127.03944	1.9
129.01918	0.4
131.04976	0.3
133.02872	1.0
134.03590	0.4
135.04395	0.5
137.02368	0.5
143.04916	1.8
145.02885	0.6
147.00346	0.3
149.02267	0.3
151.03935	1.3
155.03462	0.4
161.02370	0.5
163.03929	1.7
171.02980	0.6
173.04486	3.5
177.01971	1.2
179.03439	0.3
191.05582	100.0
192.05928	4.4
193.05019	0.3
195.02956	0.3
201.04019	1.6
211.07658	0.7
219.05215	0.5
237.09247	0.8
265.08749	2.1
279.12418	0.6
280.12973	0.3
309.07666	0.9
323.09671	0.3
325.10294	0.5
327.08820	14.6
328.09174	1.5
457.14963	0.4
501.14117	5.5
502.14682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03493	0.3
57.03340	0.3
59.01264	1.5
60.99187	0.4
65.62350	0.2
67.01772	0.8
69.03322	0.4
70.45016	0.9
71.01273	1.0
73.02837	0.5
74.92823	0.2
81.03352	0.5
83.04916	0.5
85.02840	9.4
87.00760	2.8
93.03358	7.2
94.03693	0.3
96.99253	0.4
98.20191	0.6
99.04425	0.4
109.02882	0.8
111.04417	1.5
119.04948	3.3
127.03926	2.5
133.02895	0.4
143.04948	1.5
155.03362	0.5
163.03978	2.4
171.02979	0.6
171.04422	0.3
173.04506	3.7
177.35779	0.3
191.05580	100.0
192.05910	3.9
196.00221	0.3
211.07744	0.4
225.15053	0.3
235.07780	0.3
237.09270	1.2
265.08710	1.7
266.09109	0.3
283.09872	0.7
309.07779	0.3
327.08804	10.6
328.09140	1.1
328.12631	0.3
501.14197	3.4
502.14532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71260	0.1
56.91790	0.1
57.07430	0.2
57.15847	0.2
59.01266	1.0
60.99187	0.2
64.59703	0.2
67.01774	0.5
69.03353	0.3
69.79839	0.3
69.80243	0.8
71.01270	0.8
74.75960	0.2
81.03352	0.3
85.02842	7.5
86.03217	0.2
87.00774	2.2
93.03360	8.3
94.03702	0.4
96.99213	0.5
98.19828	0.2
99.04405	0.3
109.02853	0.5
110.08514	0.2
111.04420	1.5
116.23241	0.2
117.03384	0.2
119.04941	1.9
120.05275	0.2
127.03943	1.9
129.01871	0.3
131.05014	0.4
133.02869	0.5
137.02350	0.2
141.53802	0.2
142.93416	0.2
143.04959	3.0
145.02864	0.3
155.03389	0.4
159.04489	0.2
163.03981	2.1
171.03014	0.4
171.04411	0.3
173.04510	3.0
181.94000	0.2
191.05597	100.0
192.05937	4.8
211.07652	1.3
212.08052	0.2
215.03008	0.2
217.37303	0.2
221.09830	0.2
223.07698	0.2
235.07631	0.5
237.09161	1.0
265.08771	5.1
266.09103	0.5
277.25565	0.2
283.09705	0.3
289.05560	0.3
291.22836	0.2
300.04193	0.2
309.07684	1.4
327.08810	20.4
328.09116	2.9
405.24969	0.2
483.36951	0.2
501.14151	4.6
502.14798	1.0
516.90863	0.2
519.78729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04339	0.1
57.03317	0.2
59.01258	1.7
62.46394	0.1
67.01778	1.0
68.21058	0.1
69.03344	0.4
70.90816	0.4
71.01270	1.0
72.25938	0.1
72.99187	0.3
73.02845	0.5
81.03355	0.5
83.01269	0.2
83.04912	0.3
85.02840	9.3
86.03194	0.2
87.00778	3.2
89.02306	0.2
89.47530	0.1
93.03358	10.0
94.03699	0.3
95.01211	0.2
96.95918	0.4
96.99216	0.4
98.19963	0.2
99.00781	0.2
99.04404	0.4
101.02372	0.1
109.02870	0.9
111.04415	1.7
113.02369	0.3
115.00260	0.2
117.03393	0.3
119.04941	3.0
121.02864	0.3
123.04411	0.3
127.03925	2.3
128.03461	0.2
129.01889	0.2
131.04965	0.7
131.05838	0.1
133.02902	0.8
135.04477	0.2
137.02341	0.5
140.44096	0.1
143.04958	3.2
144.05246	0.2
145.02872	0.5
155.03441	0.4
161.02493	0.2
163.03963	1.7
171.02963	0.5
171.04338	0.3
173.04501	3.2
184.27029	0.2
191.05582	100.0
192.05931	3.8
193.05121	0.2
211.07668	1.1
219.08125	0.2
223.07608	0.4
235.07655	1.0
237.09229	1.1
247.07765	0.2
265.08759	4.7
266.09140	0.6
289.05679	0.3
309.07709	2.1
309.10852	0.2
327.08804	16.1
328.09073	1.9
337.09622	0.2
501.14166	14.7
502.14529	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	501.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13955	0.2
55.30871	0.3
59.01266	100.0
60.01591	1.4
61.98748	0.3
66.85518	0.3
67.37962	0.3
68.99711	0.7
71.01273	2.3
71.08499	0.4
71.08836	0.6
73.02836	0.6
83.01264	0.3
85.02847	0.9
89.02345	0.5
93.03370	0.5
101.02359	1.4
113.02364	1.1
116.92794	0.7
117.03381	22.1
118.03723	0.9
119.04945	14.4
120.05244	0.7
121.02818	0.4
122.59680	0.4
133.02859	0.7
135.04463	0.5
143.04968	5.0
145.02892	70.6
146.03226	3.5
149.02377	0.3
161.02432	0.7
161.04451	0.5
163.03967	22.3
164.04344	1.3
173.04697	0.3
185.07724	0.3
187.03993	12.1
188.04289	0.7
191.05603	0.5
192.09924	0.3
205.48833	0.3
250.89267	0.3
269.10455	0.7
399.23813	0.4
441.25058	0.4
457.15155	23.4
458.15448	4.0
528.98462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46099	1.4
54.28988	1.4
55.01761	1.8
57.46287	1.6
59.01272	9.6
60.03096	1.5
65.10577	1.7
71.01265	16.8
71.59040	2.7
72.43092	1.5
73.02842	8.8
83.01266	3.4
85.02845	7.4
89.02354	6.2
99.00796	5.2
101.02339	17.5
113.02337	8.5
115.03890	2.3
117.01863	1.8
125.02380	1.9
125.33173	1.7
130.08670	58.8
134.70314	1.7
159.02895	2.3
161.04541	13.1
174.32234	1.7
191.05624	6.1
237.09793	21.3
270.52451	1.6
285.33389	1.6
309.96283	1.9
369.14105	100.0
370.14523	9.0
421.33456	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	499.3078
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
59.01260	0.4
63.16032	0.1
70.14767	0.7
87.64973	0.2
88.06463	0.1
96.82361	0.2
97.06465	0.2
99.04419	100.0
100.04753	2.5
111.04423	0.3
114.93307	0.4
125.09636	0.4
137.09654	0.7
167.10750	0.2
187.11244	0.2
287.20383	0.2
299.20169	1.7
317.21320	2.6
318.21484	0.2
335.22269	0.7
355.26401	0.5
369.29395	0.2
399.25485	31.7
400.25821	4.7
401.27173	0.4
417.26514	0.3
499.30783	42.5
500.31149	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	499.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01608	0.9
69.03340	0.4
71.60291	0.4
83.04942	0.3
91.03899	1.4
99.04420	1.4
184.59477	0.3
191.05641	0.4
199.13376	0.4
277.21887	1.8
279.19580	0.5
317.21738	0.3
347.26025	1.8
365.22424	0.5
365.27023	8.5
366.27576	1.3
417.26550	3.4
494.25592	0.4
499.26865	2.6
500.27106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53809	0.6
59.01272	0.9
70.81787	1.9
82.26842	0.6
89.29966	0.8
96.18494	0.6
99.04421	100.0
100.04756	2.9
125.09579	0.8
156.33821	0.7
161.32286	0.7
215.10759	1.2
299.20261	1.3
317.21365	2.0
325.21851	1.1
340.01797	0.7
355.22830	1.1
399.25494	24.8
400.25690	3.4
499.30783	32.4
500.31012	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	499.308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54003	0.1
59.01254	0.6
59.98400	0.2
64.18321	0.1
64.38942	0.1
68.65533	0.1
69.03349	0.4
70.04141	0.8
83.23276	0.1
97.06472	0.3
98.20437	0.2
99.04422	100.0
100.04752	2.5
111.04441	0.3
111.26320	0.2
114.93311	0.4
121.06522	0.2
134.61267	0.1
135.08102	0.2
137.09673	0.8
154.46884	0.1
167.10753	0.2
168.70801	0.1
187.11182	0.3
187.14964	0.2
299.20203	1.8
300.20514	0.2
317.21271	2.3
318.21497	0.2
335.22253	0.3
336.23007	0.2
355.26520	0.8
399.25494	30.8
400.25851	4.4
401.26733	0.2
417.26596	0.2
499.30795	44.7
500.31119	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	499.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00491	3.7
59.01265	34.6
69.58072	7.3
69.58478	3.7
71.01273	18.7
72.99205	2.3
73.02843	12.4
75.00773	2.6
78.95791	3.5
82.95294	6.0
83.01283	2.5
83.04897	1.6
85.02840	5.3
89.02324	4.9
93.03351	3.4
99.04422	58.7
99.05082	2.8
101.02354	7.1
111.08121	1.6
113.02345	16.2
119.03390	2.6
122.65047	1.3
125.05931	1.3
133.02890	10.3
135.04443	4.3
139.07600	2.5
152.99527	2.9
161.04424	1.8
164.09772	1.4
173.04491	4.0
177.01889	2.5
179.03485	3.6
183.04550	1.8
191.05643	3.4
227.03520	4.2
255.02997	11.6
261.22284	1.7
273.22238	10.0
277.21796	100.0
278.22086	9.8
283.02539	17.2
284.03317	2.8
291.20056	3.2
291.23364	65.8
292.23734	5.7
301.21799	7.2
319.22873	14.7
331.22964	2.0
349.24112	2.3
373.23868	2.7
381.20892	2.2
417.26440	6.1
479.03714	1.7
499.26508	11.8
500.27151	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60976	0.8
58.00439	0.7
59.01265	100.0
60.01605	0.8
69.56699	3.6
69.57104	1.5
71.01271	7.6
74.91988	0.7
75.00762	1.0
78.95818	0.8
79.16636	0.6
80.46815	0.7
85.02854	1.0
85.50403	0.6
89.02338	1.7
91.03915	2.7
97.02904	0.8
98.19830	1.6
101.02339	1.4
103.65228	0.7
109.09010	0.7
113.02372	2.9
158.17688	0.6
165.92915	0.6
173.09279	0.7
173.90146	0.9
202.98126	0.7
277.21790	37.7
278.22253	5.0
291.23401	1.3
301.21909	1.3
319.22836	5.5
331.23138	0.9
347.26077	1.6
349.23895	1.5
365.27103	7.8
366.27783	1.1
417.26907	2.1
499.27026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37484	2.5
55.78729	2.7
58.00468	3.5
59.01267	27.5
61.32894	2.6
61.98727	4.6
69.03334	4.0
69.43007	9.9
69.43427	16.5
71.01273	20.0
73.02853	13.6
75.00806	3.5
78.95783	4.6
79.95654	3.1
81.03347	7.2
82.32736	2.7
85.02852	6.7
89.02341	6.4
99.04417	97.4
101.02312	4.4
101.06009	2.9
109.06528	3.0
110.08828	3.4
113.02359	13.4
139.57361	2.7
149.45174	3.0
160.28795	2.9
191.05562	4.2
205.19432	2.8
228.70808	3.1
261.22281	3.6
273.22305	18.2
274.22592	3.7
277.21774	100.0
278.22192	10.6
291.23380	60.4
292.23633	6.7
301.21793	6.4
319.22906	24.0
320.23077	4.6
335.50876	2.8
341.21106	3.0
373.27490	16.2
380.25833	2.8
417.26596	38.5
418.26941	6.7
436.71594	2.9
482.38208	3.3
499.26236	27.6
500.27261	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	499.2924
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
50.65693	0.2
55.01772	0.9
56.45153	0.2
57.03336	1.0
58.00483	1.1
59.01266	43.4
60.01596	0.6
69.03351	1.1
70.67376	0.4
70.67706	0.5
71.01270	25.3
71.04907	0.2
72.01598	0.3
72.99194	1.5
73.02837	17.2
74.03151	0.3
75.00753	0.3
81.03358	0.4
81.26447	0.2
83.01278	5.9
85.02847	5.8
87.00772	2.6
89.02338	6.3
89.02906	0.3
95.01292	1.3
97.02848	0.7
98.19811	0.3
99.00780	1.2
101.02348	15.1
102.02721	0.4
113.02357	7.4
119.03391	1.8
124.01598	0.3
125.02390	0.9
131.03423	0.8
138.33614	0.3
143.03419	0.6
155.03429	0.3
161.04494	0.4
186.85254	0.2
191.05591	0.6
223.17049	3.4
224.17323	0.3
277.21777	12.3
278.22281	1.2
291.23270	0.4
295.22861	7.1
295.97339	0.3
296.23264	0.7
307.23093	0.3
439.27109	10.9
440.27466	1.1
457.28171	23.9
458.22754	0.4
458.28561	3.7
499.29245	100.0
500.29602	17.7
500.37341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.3
57.03337	1.0
59.01265	13.1
65.72717	0.6
69.03336	5.4
69.49609	0.7
69.50020	3.6
71.03771	0.5
71.04921	1.0
80.91642	0.7
81.98122	0.5
83.04910	6.0
87.00787	0.7
92.37903	0.6
93.11938	0.5
94.97444	0.5
97.06510	1.7
98.20522	1.1
99.04414	39.1
100.04744	1.3
102.76039	0.6
123.08101	1.9
128.18820	0.5
147.11784	1.4
149.09692	0.6
149.13322	1.4
163.92131	0.5
165.12830	1.5
167.10776	0.7
167.14427	1.0
187.51791	0.5
203.14545	0.7
219.17554	0.7
257.19275	0.6
273.22318	1.7
299.20135	0.5
317.21295	15.1
318.21786	2.4
335.22305	5.1
417.26544	100.0
418.26883	16.6
439.24734	1.8
499.26877	78.4
500.27179	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	499.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	15.6
69.03347	4.4
71.49963	0.9
72.18466	0.5
79.95648	0.7
81.03372	0.7
91.55634	0.6
97.06523	0.6
99.04422	55.4
100.04749	1.9
112.51968	0.6
125.09633	2.0
149.13278	0.8
167.10760	0.9
167.14441	0.9
225.30696	0.6
231.65866	0.6
261.22287	2.1
271.20712	0.8
273.22375	2.2
289.21732	0.6
291.23373	1.0
299.20221	1.8
305.21353	2.3
317.21301	18.0
318.21613	3.0
335.22354	59.3
336.22726	8.6
351.07111	0.8
357.20599	1.5
366.11243	0.6
377.08475	0.6
399.25565	1.2
401.19095	0.6
417.26581	70.7
418.26917	13.9
439.24728	1.9
472.43454	0.6
499.26895	100.0
500.27213	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	499.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03339	1.4
59.01268	22.8
69.03344	5.6
71.56789	0.6
78.95814	1.1
83.04930	5.3
89.52283	0.5
97.06498	1.5
99.04422	31.8
100.04781	0.8
102.08827	0.5
111.04468	0.5
123.08102	2.2
138.55476	0.5
147.11751	1.0
149.09663	0.8
149.13303	1.0
157.49438	0.4
161.02351	0.8
167.10788	1.3
167.14368	1.1
177.97284	0.4
191.05595	1.2
193.12402	0.6
197.58118	0.5
199.24774	0.5
213.74214	0.5
251.16554	1.1
273.22299	2.1
277.21854	2.0
291.23526	0.9
317.21292	13.4
318.21524	2.2
319.22830	0.6
335.22342	5.4
336.22559	0.9
365.27148	0.8
373.27496	0.6
417.26550	100.0
418.26880	17.6
439.24588	1.8
499.26889	84.0
500.27301	14.9
524.33289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32503	0.5
59.00997	1.1
59.01267	16.0
61.98696	0.8
69.03355	5.9
69.71004	0.6
69.90652	1.7
69.91064	2.1
70.96118	0.6
71.04872	0.6
75.50017	0.6
78.95801	2.0
84.72968	0.6
85.02801	0.6
85.21614	0.6
91.49227	0.5
91.72619	0.7
93.03329	0.8
99.04420	45.0
100.04741	1.5
111.04421	1.0
123.08070	0.9
125.09652	2.9
132.65068	0.6
141.68472	0.7
152.99500	2.1
167.10652	0.9
167.14349	0.8
191.05640	0.8
255.02945	0.9
261.22299	2.1
262.23035	0.6
264.85031	0.7
271.23038	0.7
273.22272	1.9
283.02600	1.5
299.20010	0.8
305.21231	3.2
317.21295	16.2
318.21677	2.5
335.22348	69.3
336.22644	8.8
399.25815	0.9
417.26553	74.6
418.26904	12.1
439.24811	1.2
499.26883	100.0
500.27203	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	499.269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.3
59.01270	19.8
61.21498	1.1
61.98697	3.4
69.03325	3.9
69.84366	2.4
69.84768	6.3
71.04893	1.4
73.03948	2.2
74.02348	3.1
78.95789	2.0
82.95290	3.5
83.04921	7.0
87.05509	1.4
93.03331	1.3
97.06484	1.4
98.19870	1.6
99.04414	46.2
100.04703	1.3
101.07066	1.9
104.03410	1.5
111.04391	1.2
113.07057	2.0
117.33206	1.1
121.06512	52.7
122.06787	1.7
123.08057	2.6
125.09636	6.0
127.05056	1.7
133.02855	1.7
140.93130	1.0
147.08089	2.1
149.09621	1.2
158.09261	3.0
161.02260	1.5
167.14359	2.8
170.09265	1.4
182.99683	1.0
185.13333	1.2
191.05524	1.9
215.11432	1.3
219.17406	1.9
226.21730	1.9
263.20010	3.0
271.20532	5.9
271.23093	1.5
273.22244	2.8
283.23788	3.6
289.21802	28.4
290.21936	3.8
291.23160	3.6
317.21280	8.3
319.22705	3.1
335.22244	2.2
353.08679	1.6
371.25839	1.7
373.27487	10.2
374.27686	2.5
381.19128	1.8
399.20544	2.1
402.86710	1.3
412.27893	1.3
417.26556	87.1
418.26907	14.7
439.24503	3.9
469.30011	4.6
483.23972	2.3
499.26468	100.0
500.26636	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	499.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.3
58.93174	0.2
59.01264	100.0
60.01603	1.3
67.01780	0.4
69.03354	0.4
69.23837	2.1
69.24249	0.5
71.01269	2.2
72.99221	0.3
73.02847	0.5
75.00768	0.6
77.48814	0.2
84.82084	0.3
85.02837	1.9
87.00778	1.0
89.02357	0.8
93.03353	2.4
99.00821	0.3
99.04432	0.3
100.77560	0.2
101.02359	1.0
107.04951	0.8
109.02873	0.5
111.04444	0.5
113.02341	1.8
117.03410	0.5
119.03487	0.3
119.04942	4.5
120.05319	0.3
121.02879	0.7
133.02879	0.9
134.03696	0.3
135.04449	3.7
135.17841	0.2
136.04799	0.6
137.02428	0.4
141.08835	0.3
145.02940	0.8
155.03380	0.4
161.02368	1.6
161.04559	0.3
163.03951	8.3
164.04344	0.6
173.04515	2.9
179.03424	4.6
180.03867	0.4
191.05573	8.0
192.05888	0.4
235.77979	0.2
249.06137	0.6
255.06740	0.2
255.10175	0.3
267.07278	2.3
267.09714	0.3
294.47809	0.2
319.08362	0.5
335.07800	0.3
336.08182	0.3
337.09396	2.8
353.08810	2.4
354.09241	0.3
397.22760	0.5
422.34357	0.2
439.23645	0.4
455.19299	0.7
499.12268	0.3
499.18433	2.0
499.29568	1.2
500.18585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48102	1.3
59.01271	21.9
60.54993	1.2
69.03341	5.2
71.01277	6.3
71.59337	2.8
78.95815	2.7
85.02824	2.1
89.02332	2.5
96.90012	1.2
99.04420	38.5
101.02357	3.6
113.02344	2.6
125.09665	1.9
128.03419	1.6
130.23703	1.3
143.04546	1.6
152.99547	2.5
164.34969	1.4
195.30576	1.3
209.11839	3.2
261.22232	2.3
271.22876	2.3
273.22330	3.2
277.21777	22.6
278.22067	2.7
291.23386	5.6
299.20474	1.6
301.21600	1.8
305.21429	2.8
316.57101	1.3
317.21362	14.7
318.21536	2.3
319.22772	2.9
335.22348	51.3
335.26349	2.8
336.22681	6.8
417.26547	66.3
418.26895	11.2
455.16614	1.8
499.26840	100.0
500.27335	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	499.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23559	0.2
55.49375	0.3
57.79472	0.3
59.01265	100.0
60.01603	1.3
64.48312	0.2
69.34593	2.8
71.01274	1.2
72.49172	0.3
73.02859	0.5
78.95840	0.4
85.02839	0.4
89.02326	0.6
93.03381	0.6
96.95914	7.7
96.96878	0.4
98.19760	0.5
98.95528	0.9
99.92522	0.7
101.02377	0.9
112.01659	0.3
113.02337	0.4
115.91996	1.6
116.21900	0.3
116.91969	0.2
116.92764	5.6
116.93534	0.5
117.92861	0.3
135.04445	0.3
161.02383	0.7
163.03976	0.7
173.04530	0.8
176.39832	0.3
179.03433	0.3
180.94617	0.3
191.05640	1.1
234.24631	0.3
301.07385	0.5
337.09464	0.3
353.09052	0.4
439.23743	0.9
455.10553	0.3
455.23627	0.4
467.82401	0.3
499.09280	1.7
500.08945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06144	0.2
59.01266	100.0
60.01598	0.9
71.01282	1.1
71.16476	0.5
83.72814	0.3
85.02856	0.6
89.02360	0.8
93.03395	0.7
101.02380	0.8
110.89533	0.3
113.02390	0.4
119.04980	0.5
135.04471	0.3
161.02423	0.5
161.04533	0.4
163.03966	0.7
173.04544	0.6
179.03439	0.5
191.05644	1.9
302.97263	0.3
397.22537	0.5
439.23599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46365	0.8
57.03364	1.3
59.01269	16.4
59.59140	0.8
61.98714	2.0
67.01784	4.1
68.26583	0.9
69.03328	1.4
71.01276	16.6
71.04868	0.8
71.60188	1.1
72.99206	2.2
73.02843	3.3
75.00787	1.6
78.55869	0.8
81.03367	1.3
83.01276	2.1
83.04929	2.3
85.02850	13.7
87.00784	8.0
89.02338	10.8
93.02767	1.9
93.03362	40.2
94.03703	1.4
95.01280	1.3
96.95935	1.5
99.00772	4.3
101.02343	8.2
109.02885	1.7
111.04448	5.8
113.02364	4.9
117.03440	1.3
119.03456	1.0
119.04935	14.7
121.02858	1.6
125.02461	1.3
127.03917	2.0
131.03424	2.0
131.04947	1.1
131.07071	1.2
133.02879	1.3
134.03645	2.1
135.04472	2.4
136.01605	1.6
137.02403	2.9
143.04967	2.5
145.02910	8.8
147.04463	2.6
149.04517	9.0
153.01877	1.4
155.03427	5.0
159.02911	1.1
159.04498	1.0
161.02370	1.2
161.04492	4.0
163.03973	8.2
173.04536	22.0
174.04851	2.0
179.03415	1.2
187.03925	2.4
191.05591	100.0
192.05896	5.6
211.07678	2.5
221.06158	0.9
223.07623	1.4
227.07031	1.1
233.06433	0.9
235.07700	5.4
237.09209	1.6
239.07147	8.0
250.06523	1.4
251.07643	1.4
253.08717	2.0
255.10320	1.4
263.07141	1.3
265.05499	1.1
265.08643	1.9
267.07437	1.7
279.06821	1.6
281.08237	11.0
307.06229	12.4
307.17648	1.7
319.08218	1.1
325.07230	2.8
325.12976	2.0
327.08762	4.7
332.59134	0.9
337.09335	2.8
409.13086	1.3
439.21951	17.5
440.22449	2.7
444.62036	1.1
463.21982	8.7
464.22305	1.7
494.92554	0.9
499.12573	19.2
499.19748	16.1
500.13028	3.4
500.19885	3.2
500.27002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89144	0.7
54.49580	0.6
55.01786	0.7
55.07755	0.6
55.57778	0.7
56.75735	0.6
57.03344	1.4
59.01266	100.0
61.64267	0.7
67.01799	1.0
68.99695	1.1
69.03368	0.8
71.01272	16.7
71.60545	1.2
72.99207	2.9
73.02826	3.2
75.00768	9.3
81.03345	0.8
83.01310	1.2
83.04924	0.9
85.02846	17.6
87.00781	5.4
87.73524	0.7
89.02343	6.7
93.03349	5.3
95.01277	3.8
96.11066	0.7
99.00793	5.7
101.02357	3.5
102.66965	0.6
103.00313	1.7
103.85919	0.7
111.00733	0.8
111.04406	1.0
112.01541	0.6
113.02359	19.3
115.00304	0.7
117.01853	1.8
117.03375	1.4
117.97191	0.8
119.03422	1.1
119.04938	4.2
121.02862	3.8
129.01840	1.4
134.03668	1.6
135.04465	1.7
136.11136	0.7
137.02397	2.2
145.02919	3.4
148.05244	11.8
149.02420	0.9
149.04494	1.0
155.03468	0.7
161.02444	0.9
161.04512	1.3
161.13295	5.0
163.03951	4.2
163.07585	11.1
164.07875	0.8
173.04491	7.1
175.02423	2.0
177.13350	0.7
179.03424	0.8
187.11261	2.0
191.05582	16.1
192.05893	1.2
205.07114	1.3
205.12387	2.5
230.08664	0.7
247.85291	0.7
249.06200	9.8
250.06679	0.9
267.07275	44.1
268.07629	2.0
319.08459	1.2
337.09204	1.3
455.19406	11.4
456.19415	1.4
457.17291	1.6
499.18329	36.6
499.29343	1.6
500.18665	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	499.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.4
57.03346	3.5
58.00474	1.0
59.01266	98.0
59.52000	0.5
60.01614	1.1
67.01782	1.3
68.99706	1.3
69.03345	1.8
69.60110	3.8
71.01271	27.9
72.01600	0.7
72.99201	5.4
73.02835	2.0
75.00770	18.3
79.05438	0.6
81.03362	1.1
83.01279	1.5
83.04930	0.6
85.02847	28.4
86.03191	0.8
87.00777	10.3
89.02340	8.1
91.03929	1.0
93.03394	2.9
95.01295	6.7
95.04906	0.8
97.02866	0.8
99.00778	11.1
99.04410	1.2
101.02377	2.6
103.00285	2.8
107.04958	0.9
109.02908	0.7
109.33195	0.5
111.00827	1.6
111.04438	2.1
112.01598	0.9
113.02362	41.9
114.02717	0.8
115.00284	2.6
117.01859	2.1
119.03443	0.6
119.04948	2.2
127.03917	0.6
129.01888	2.0
134.03679	0.8
135.04471	1.4
135.10464	0.6
137.02386	1.2
145.02930	1.8
149.04440	0.7
155.03494	0.6
157.01381	1.2
161.13306	10.3
163.03943	1.7
164.04266	0.6
170.57100	0.5
173.04491	4.4
175.02454	4.0
187.11263	3.1
189.04103	0.7
191.05591	6.9
195.06627	0.9
205.07176	1.8
205.12346	7.9
207.05147	1.7
231.05147	2.1
238.05321	0.6
249.06194	26.0
250.06563	1.3
267.07272	100.0
268.07672	4.9
323.15118	0.7
337.09177	0.7
437.18182	0.7
439.25717	0.5
455.19348	35.5
456.19687	6.1
481.17422	0.6
499.18353	32.2
500.18826	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	499.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96573	0.5
55.01768	0.6
57.03338	1.9
59.01268	100.0
60.01603	1.2
60.07803	0.6
62.18974	0.7
67.01800	0.8
68.99699	1.4
69.03355	1.1
71.01273	21.9
71.01670	1.1
72.99202	3.9
73.02848	1.5
75.00767	14.3
81.03353	1.0
82.20623	0.5
83.01301	1.6
85.02847	22.3
86.03194	0.8
87.00774	8.2
89.02339	7.8
91.03926	1.0
93.03352	3.2
95.01281	4.6
97.28020	0.6
98.20621	0.8
99.00780	9.8
99.04432	1.4
101.02372	2.2
102.98534	0.7
103.00288	2.5
111.00797	1.2
111.04450	0.7
112.01531	0.6
113.02360	33.8
113.06065	0.6
115.00311	1.1
117.01864	2.2
119.03500	0.6
119.04957	2.1
129.01854	2.4
131.03430	1.1
134.03668	0.7
135.04466	1.0
137.02344	1.2
145.02905	2.5
155.03484	1.0
157.01346	0.9
161.13324	9.5
163.03963	2.2
173.04553	2.5
175.02481	2.5
187.11276	2.5
191.05592	8.6
205.07184	2.1
205.12340	8.6
206.12668	0.7
207.05092	1.4
231.05159	1.2
249.06198	21.4
249.11307	1.0
250.06580	1.2
267.07278	82.8
268.07614	5.4
312.04144	0.7
406.51971	0.7
455.19351	28.6
456.19717	4.7
499.18323	29.4
499.29300	1.2
500.18649	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	499.168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51772	2.5
59.01264	7.5
62.67144	3.1
64.09441	2.9
67.01778	4.5
69.71143	18.0
71.01270	5.8
73.02863	3.5
85.02852	3.6
87.00765	10.7
93.03359	37.0
111.04430	7.9
143.03461	3.9
168.58513	2.8
173.04495	8.2
191.05588	11.7
205.07033	3.1
286.62115	3.2
405.77893	3.4
481.88812	3.6
497.62744	3.2
499.16837	100.0
500.17258	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	499.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96573	0.5
55.01768	0.6
57.03338	1.9
59.01268	100.0
60.01603	1.2
60.07803	0.6
62.18974	0.7
67.01800	0.8
68.99699	1.4
69.03355	1.1
71.01273	21.9
71.01670	1.1
72.99202	3.9
73.02848	1.5
75.00767	14.3
81.03353	1.0
82.20623	0.5
83.01301	1.6
85.02847	22.3
86.03194	0.8
87.00774	8.2
89.02339	7.8
91.03926	1.0
93.03352	3.2
95.01281	4.6
97.28020	0.6
98.20621	0.8
99.00780	9.8
99.04432	1.4
101.02372	2.2
102.98534	0.7
103.00288	2.5
111.00797	1.2
111.04450	0.7
112.01531	0.6
113.02360	33.8
113.06065	0.6
115.00311	1.1
117.01864	2.2
119.03500	0.6
119.04957	2.1
129.01854	2.4
131.03430	1.1
134.03668	0.7
135.04466	1.0
137.02344	1.2
145.02905	2.5
155.03484	1.0
157.01346	0.9
161.13324	9.5
163.03963	2.2
173.04553	2.5
175.02481	2.5
187.11276	2.5
191.05592	8.6
205.07184	2.1
205.12340	8.6
206.12668	0.7
207.05092	1.4
231.05159	1.2
249.06198	21.4
249.11307	1.0
250.06580	1.2
267.07278	82.8
268.07614	5.4
312.04144	0.7
406.51971	0.7
455.19351	28.6
456.19717	4.7
499.18323	29.4
499.29300	1.2
500.18649	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	499.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32813	0.4
57.03345	0.6
59.01266	9.1
61.98722	0.5
62.09539	0.4
62.96305	0.5
67.01775	0.5
69.03337	0.6
71.01270	6.0
71.59367	0.4
71.59742	0.4
72.99181	0.9
73.02843	4.7
75.00775	1.0
78.95799	100.0
80.10496	0.4
81.03323	0.5
83.01290	1.7
85.02851	3.0
87.00780	1.8
89.02354	1.5
93.03371	5.9
94.03703	0.4
96.96869	42.9
99.00808	1.1
99.04437	0.5
101.02357	4.9
109.02843	0.5
111.00720	0.4
111.04448	1.0
113.02364	1.8
117.03407	0.5
119.04951	2.4
125.02361	0.5
127.03896	0.4
129.01820	0.4
131.03427	0.4
134.03658	0.8
135.04459	1.2
137.02324	0.7
141.01653	0.7
143.04974	0.9
145.02919	2.0
149.05983	0.6
155.03488	0.8
159.03165	0.4
159.04459	1.0
161.02354	0.7
161.04503	1.3
163.03944	1.8
167.03519	0.6
173.04539	4.1
179.03459	0.7
187.03979	0.6
191.05591	13.2
192.05959	1.1
193.05095	1.0
204.34920	0.4
211.07724	0.6
233.06816	0.5
233.09496	1.8
235.07701	1.5
237.09402	0.6
251.10583	0.9
253.08781	1.8
281.08221	0.5
307.06113	3.2
307.11862	0.5
307.17703	1.7
325.03864	0.5
325.07233	2.4
327.08591	0.6
395.14877	0.7
413.15912	17.2
414.16251	1.9
439.21924	9.5
440.12170	0.9
440.22098	1.2
455.16983	85.1
456.17322	10.8
456.23773	0.5
463.21991	0.8
499.13083	0.6
499.23749	0.8
500.14767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81592	0.2
51.66157	0.2
51.82909	0.2
54.51395	0.2
58.56526	0.2
59.01265	63.6
60.01593	0.5
64.46207	0.2
69.28659	0.8
69.29086	1.7
71.01274	1.7
73.02843	0.6
78.95796	4.8
79.95635	2.5
82.01387	0.3
82.73745	0.3
85.02853	0.8
89.02346	0.4
92.70927	0.3
96.95914	100.0
96.96812	7.6
97.95845	0.4
100.57825	0.2
101.02377	1.1
106.04606	0.2
107.51279	0.2
113.02348	0.7
113.92543	0.5
114.93323	1.5
116.07219	0.2
119.04890	0.2
133.02928	0.4
135.04419	0.4
152.99532	1.0
161.02438	1.1
161.04517	0.4
163.04001	0.4
173.04526	0.4
179.03355	0.2
191.05586	0.8
227.73831	0.2
273.72836	0.2
315.18109	0.7
337.09140	0.3
357.19287	0.7
366.54379	0.3
397.22003	0.5
399.78320	0.2
400.23770	0.2
439.23447	0.6
499.16165	0.3
499.25687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21372	0.5
57.03331	0.8
58.90744	0.5
59.01264	33.6
60.99191	0.7
67.01771	2.8
69.03333	0.7
71.01270	5.6
71.55661	1.1
73.02834	1.2
75.00755	0.8
80.91576	2.1
81.03352	1.2
83.01270	1.2
83.04919	1.6
85.02856	4.3
87.00786	2.3
89.02336	0.8
93.03355	23.0
94.03689	0.6
94.10960	0.6
96.00723	0.6
96.95913	0.7
97.81645	0.6
99.04412	1.1
101.02347	2.6
107.04902	0.8
108.02089	2.0
109.02856	1.1
111.00766	0.8
111.04437	4.4
113.02354	1.5
117.03375	1.1
119.04948	17.1
120.05275	1.3
121.02859	0.8
123.04458	1.2
125.02325	0.7
125.09650	2.0
127.03922	1.6
129.01863	0.8
133.02885	3.9
134.03676	1.5
135.04449	19.5
136.04781	0.7
137.02342	4.2
141.84537	0.7
145.02876	2.7
152.01105	8.4
155.03421	5.1
161.02380	10.2
161.04465	0.9
162.02721	1.0
163.03958	17.9
164.04308	0.8
167.03452	8.8
173.04512	100.0
174.04832	4.3
179.03458	17.7
180.03818	1.0
187.09689	2.9
191.05576	38.5
192.05934	1.3
195.06723	0.7
211.07654	0.5
211.09712	0.5
225.11398	0.6
229.10884	1.1
271.11957	1.2
319.08127	0.7
335.07562	0.7
337.09357	42.7
338.09766	4.5
353.08850	20.7
354.09274	2.1
499.12494	1.6
499.18777	0.7
514.62323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2901
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
59.01261	0.5
78.95795	8.9
96.96810	0.3
121.32418	0.3
152.99532	17.5
153.99762	0.4
158.79550	0.4
171.00600	1.4
227.03296	3.0
229.36311	0.4
245.04327	1.3
269.24905	100.0
270.22501	0.7
270.25262	10.2
412.86005	0.4
497.28973	37.9
498.29260	6.3
514.38794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99019	0.3
59.01262	1.3
60.09185	0.3
63.04061	0.3
67.01776	1.8
69.03345	0.6
71.01276	0.7
71.12502	0.6
73.02861	0.4
74.67547	0.3
81.03344	0.8
83.04928	0.9
85.02842	5.0
87.00772	3.6
93.03357	11.8
94.03685	0.5
104.02570	0.3
107.04922	1.0
109.02876	0.6
111.04445	3.9
117.03362	0.6
119.04943	8.3
120.05283	0.4
127.03950	1.9
133.02881	2.1
134.03690	3.3
135.04448	44.8
136.04764	2.0
145.02892	2.7
155.03497	1.8
161.02402	6.2
163.03964	9.9
164.04239	0.4
173.03094	0.5
173.04523	7.3
179.03458	33.6
180.03743	1.6
182.59337	0.3
191.05583	100.0
192.05923	4.0
199.15942	0.3
282.27695	0.3
318.89182	0.3
319.08273	1.1
337.09375	15.4
338.09772	1.3
353.08847	33.4
354.09152	4.0
413.49210	0.4
499.12152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
59.01270	3.7
62.95327	0.4
66.71983	0.4
67.01765	1.8
69.03320	0.6
69.73087	3.0
71.01286	2.4
72.43254	0.5
81.03344	0.7
83.04916	0.9
85.02840	7.3
87.00755	2.0
93.03359	12.8
98.19883	0.7
105.30957	0.5
107.04915	1.1
109.02850	1.0
111.04430	5.4
117.03377	0.7
119.04947	14.3
123.90781	0.5
127.03909	2.8
129.01907	0.5
132.91003	0.5
133.02867	2.2
134.03670	3.0
135.04448	44.4
136.04791	2.0
137.02359	2.2
145.02896	2.1
155.03459	2.7
161.02402	6.4
163.03949	17.5
164.04317	0.7
173.04509	34.8
174.04926	1.2
179.03455	33.0
180.03804	1.8
191.05579	100.0
192.05901	4.0
218.24748	0.4
224.83519	0.4
319.08466	0.5
337.09344	29.8
338.09518	2.5
346.70795	0.5
353.08835	34.3
354.09082	3.6
365.37372	0.6
499.12729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	5.0
57.03337	7.0
58.00483	1.8
59.01265	75.7
60.01590	1.1
61.66954	0.7
61.98715	1.8
67.01740	0.6
69.03352	4.1
71.01269	100.0
71.04890	0.9
71.32526	0.6
71.56848	0.8
72.01605	1.7
72.99213	3.3
73.02837	32.3
75.00756	1.8
78.95795	1.2
81.03358	0.8
83.01279	11.9
85.02842	44.7
86.03151	0.8
87.00761	4.8
87.04370	0.9
89.02334	25.1
93.03346	2.6
94.99110	0.6
95.01279	6.8
96.23486	0.7
96.95911	9.1
96.96848	1.1
97.02861	2.8
99.00775	12.4
99.01362	1.2
99.04423	1.2
100.00059	0.7
100.01138	0.6
101.02345	62.5
102.02699	1.7
111.00772	1.3
111.04436	0.8
113.02357	41.9
114.02703	1.2
117.03431	0.8
119.03418	12.3
119.04946	2.5
125.02367	2.9
129.01855	2.3
131.03430	1.3
133.02898	2.1
134.03696	0.8
135.04443	2.2
137.02383	0.9
143.03424	4.3
145.02887	4.6
149.04512	1.1
151.07492	1.0
155.03409	0.7
159.02931	7.9
161.02548	4.0
161.04501	43.0
162.04846	1.8
163.03973	2.5
173.04507	2.2
177.05508	1.2
179.03447	1.5
179.05586	3.6
191.05582	8.6
193.05025	1.1
195.06688	3.3
195.08160	0.7
196.06873	0.8
205.03508	1.0
211.13203	0.9
216.87859	0.6
217.66866	0.7
221.19080	2.5
224.70235	0.8
234.28027	0.6
273.22284	2.3
275.23795	0.7
291.23404	5.7
319.22681	0.6
329.23404	0.9
335.22324	26.2
336.22818	3.8
339.05173	1.8
346.00562	0.7
411.23355	0.7
448.83896	0.6
453.17838	1.3
453.28793	6.3
454.29034	0.9
471.17297	0.6
497.27762	65.3
498.28137	13.5
524.22015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60528	0.5
55.01758	1.1
57.03345	1.0
58.00482	1.1
59.01268	54.8
60.01624	0.6
61.98709	2.4
69.03339	1.5
71.01273	31.3
71.27695	1.1
72.01618	0.9
72.99191	2.2
73.02838	26.5
75.00752	0.9
78.56050	0.5
83.01281	9.4
85.02842	5.8
87.00779	2.4
89.02345	8.4
95.01289	1.7
96.95943	1.2
97.02837	0.7
99.00784	1.2
101.02351	22.8
113.02354	8.7
119.03414	2.9
125.02345	1.1
131.03426	0.8
131.50658	0.5
135.04474	0.6
143.03419	1.0
149.04562	0.9
161.04477	2.5
173.04495	0.7
191.05602	2.0
223.17073	3.3
275.20215	12.4
276.20517	1.3
277.21759	2.6
293.21304	7.1
337.32269	0.6
437.25479	10.3
438.25885	1.6
455.26636	20.5
456.27017	3.5
497.27710	100.0
498.28091	19.0
503.18872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2771
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
51.30874	0.3
55.01766	0.8
57.03337	1.1
58.00478	1.6
59.01267	40.8
60.01613	0.3
60.57936	0.3
61.98722	0.6
67.01782	0.3
69.03362	0.6
71.01274	25.6
72.01602	0.5
72.99199	2.4
73.02834	3.0
73.82207	0.3
75.00769	0.3
79.21559	0.3
83.01282	2.5
83.04939	0.4
85.02846	8.0
87.00782	1.2
89.02343	17.2
93.03362	2.6
95.01292	2.1
97.02858	0.5
99.00787	1.5
99.04469	0.4
99.48740	0.3
101.02352	16.1
102.02685	0.3
109.02879	0.5
111.00803	0.3
111.04443	0.5
113.02361	9.7
117.03377	0.6
119.03421	6.5
119.04910	2.7
121.02827	0.3
123.04450	0.8
131.03418	0.4
133.02882	0.9
134.03636	0.6
135.04480	1.5
137.02362	0.7
143.03432	0.4
145.02875	1.9
149.04482	0.4
155.03426	0.6
159.02939	0.3
161.02353	0.6
161.04559	0.8
163.03961	2.5
173.04514	2.5
177.01941	0.4
179.03456	0.7
191.05583	5.0
192.05914	0.5
195.08220	0.5
201.04131	0.3
249.06102	0.3
267.07187	0.7
317.21341	0.5
319.08405	0.4
327.08734	0.3
335.15054	0.4
335.22345	0.8
337.09402	0.4
497.27704	100.0
498.28015	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	10.7
57.59829	0.9
59.01263	1.7
66.74587	0.8
69.03349	1.3
71.58175	1.2
77.48890	0.9
77.91745	0.8
78.95787	1.2
80.91576	7.3
83.04918	2.3
97.06508	1.7
97.99998	1.0
99.04417	29.2
100.04749	1.4
109.06500	22.0
111.08073	1.7
115.48242	0.8
121.06475	1.5
123.08089	1.9
125.69160	0.9
136.05170	2.0
149.09634	0.8
152.99510	2.2
160.60815	0.9
163.11211	5.5
179.10785	2.5
203.14442	0.8
205.16048	1.8
219.14005	1.0
219.17567	4.1
231.17546	3.9
261.22339	2.0
261.43823	0.9
271.20792	4.3
289.21793	44.3
290.22064	4.7
327.26944	1.0
371.25992	23.5
372.26291	3.7
415.24985	100.0
416.25287	15.0
497.25214	16.3
497.32068	1.1
498.25830	3.0
502.71106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2768
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01760	0.8
57.03331	2.3
58.00460	1.5
58.92846	0.8
59.01266	87.7
60.01587	1.4
61.98710	2.1
69.03352	1.6
71.01271	61.0
71.26874	1.4
72.01611	1.6
72.99188	3.3
73.02836	67.2
74.03167	1.1
75.00752	1.1
78.95807	0.9
83.00806	1.4
83.01279	19.2
83.58676	0.7
85.02850	7.4
87.00762	3.1
89.02341	9.6
95.01276	1.7
95.04910	0.8
97.02848	1.0
99.00774	2.3
101.02348	57.0
109.60413	0.7
113.02349	15.0
119.03423	4.3
125.02356	2.3
131.03386	3.8
143.03415	3.7
149.04498	3.1
155.03413	2.0
158.44807	0.9
161.04504	10.6
179.03471	0.9
191.05591	1.9
203.05463	1.4
231.21178	1.8
275.20212	35.6
276.20563	5.0
277.21805	1.5
293.21277	22.3
294.21692	2.1
340.86768	0.9
437.25473	7.4
455.26630	13.5
456.26846	1.4
497.27667	100.0
498.20969	1.5
498.28003	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	497.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89029	0.2
59.01265	100.0
60.01603	1.1
69.03333	0.3
70.30754	0.2
70.87334	0.3
70.87688	0.2
71.01270	2.7
73.02842	1.8
81.03366	0.2
83.01284	0.7
85.02837	0.9
87.00789	0.2
89.02357	0.5
94.98003	0.2
97.02870	0.3
99.04446	0.3
101.02351	2.6
109.06544	0.3
113.02364	1.1
117.73356	0.2
119.03439	0.4
119.05013	0.2
135.04463	0.4
137.06038	0.2
143.03448	0.3
149.04539	0.4
152.46773	0.2
152.99464	0.2
161.04475	1.0
163.08211	0.2
173.13445	0.4
191.05620	0.4
195.56367	0.2
203.05656	1.4
203.14401	1.0
205.16086	0.5
213.69307	0.2
215.14404	2.0
216.14740	0.2
231.14059	0.3
233.15480	12.9
234.15851	1.2
275.16574	0.4
290.22330	0.2
333.21097	0.3
334.21127	0.3
335.21725	0.3
377.19800	1.2
397.51334	0.2
437.21756	0.9
450.35568	0.2
519.93579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.3
59.01266	100.0
60.01598	1.1
65.76024	0.2
69.03349	0.4
70.70067	0.5
70.70425	0.4
71.01272	3.9
73.02836	0.9
75.00767	0.2
81.03368	0.4
83.01285	0.3
85.02837	1.1
86.65102	0.2
87.00776	2.4
93.03374	0.5
97.02863	0.7
98.03657	0.2
99.00768	0.4
101.02357	1.2
109.06487	0.5
110.03608	0.4
113.02356	0.7
118.85940	0.2
120.05743	0.6
121.06544	0.7
122.81326	0.3
125.02382	0.3
133.02826	0.2
135.04457	0.7
137.02449	0.2
137.06042	0.3
143.03436	0.3
161.02463	0.4
161.04526	0.6
173.04565	0.7
173.09679	0.2
173.13341	1.8
179.03415	0.2
187.11276	0.6
189.12750	0.3
191.05623	1.4
199.11200	0.3
203.05598	4.7
203.14398	4.8
204.06203	0.2
204.14677	0.4
205.16003	1.8
215.10995	0.3
215.14404	5.3
216.14772	0.6
217.12386	0.7
231.13945	1.7
232.14664	0.6
233.15485	48.0
234.13715	0.4
234.15811	3.9
247.13150	0.3
257.15524	0.3
259.17026	0.3
377.19824	0.5
437.21811	0.8
497.27988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
59.22247	0.1
60.01604	1.3
61.98716	0.5
67.78419	0.1
68.82528	0.2
70.89318	0.3
70.89649	0.3
71.01270	2.9
73.02837	2.0
78.13748	0.2
78.75561	0.2
78.95819	0.3
79.06927	0.2
81.03350	0.2
83.01283	0.5
83.47019	0.2
85.02843	1.0
87.00777	0.4
89.02316	0.8
93.03396	0.4
95.01302	0.2
97.06474	0.2
99.00803	0.3
99.04443	0.3
101.02344	2.7
113.02371	1.2
119.03425	0.4
121.06548	0.2
125.02380	0.3
135.04468	0.3
137.06024	0.3
143.03510	0.3
149.04512	0.3
161.04465	1.4
173.04510	0.2
173.13397	0.7
175.84904	0.2
179.05571	0.2
191.05530	1.1
196.68259	0.2
203.05649	1.1
203.14326	0.9
205.16107	0.3
215.14403	2.1
231.13957	0.2
233.15488	13.1
234.15884	1.1
274.94501	0.1
277.19305	0.2
290.23218	0.2
338.24750	0.2
358.83521	0.2
377.19839	1.0
379.16360	0.2
384.89020	0.2
395.20880	0.5
437.21622	1.1
438.22708	0.2
466.55240	0.2
478.73401	0.2
497.24585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64053	1.3
55.01768	2.2
55.42908	1.5
57.03354	7.3
58.00462	2.6
59.01267	65.8
59.87730	1.2
60.01610	2.5
61.98705	3.6
62.67850	1.4
67.01762	5.1
67.42101	1.4
68.99698	5.4
69.03331	6.0
70.96525	4.6
71.01276	62.2
72.99203	17.7
73.02840	8.0
75.00363	2.5
75.00769	43.1
78.95808	2.0
79.05412	3.5
80.47820	1.3
81.03339	3.6
83.01280	3.3
83.04893	2.7
84.02064	1.6
85.02352	3.2
85.02849	51.4
86.03162	1.8
87.00780	21.1
88.01089	1.7
88.62655	1.4
89.02345	17.9
91.03893	3.0
93.03362	19.0
95.01304	11.3
96.95920	1.8
97.02856	3.5
99.00264	1.9
99.00793	21.0
99.04433	1.6
101.02350	11.3
102.98501	2.5
103.00257	5.8
104.98103	1.9
108.02071	1.9
109.02815	4.6
111.00768	4.7
111.04414	6.9
113.02366	64.3
113.03167	3.2
114.02670	3.1
115.00257	4.3
117.01820	5.9
117.03345	3.4
119.03426	5.2
119.04940	11.1
121.02885	1.8
129.01814	5.3
129.06978	3.6
131.03416	2.1
133.02846	5.1
134.03629	4.5
135.04405	4.2
137.02341	3.8
143.08575	3.8
145.02872	11.9
155.03381	3.4
157.01283	3.1
157.10191	3.5
159.11746	25.4
160.12053	3.0
161.02333	7.0
163.03981	13.8
170.07318	1.9
173.04512	17.6
175.02402	6.6
175.03868	2.0
179.03384	2.0
185.09692	3.7
189.03940	2.2
191.05600	23.0
193.05026	2.9
195.06639	3.4
203.10785	53.9
204.11069	3.4
207.04996	3.0
211.07547	2.3
226.06256	2.0
229.08580	2.5
231.05099	7.1
241.08614	1.8
247.09663	8.0
249.06212	100.0
250.06502	5.8
251.67812	1.5
267.07300	62.0
268.07553	2.7
319.08401	2.2
327.08539	1.6
335.22156	5.4
337.09308	2.1
357.09778	2.4
383.25140	1.6
405.10202	2.4
435.16516	2.7
453.17786	73.0
454.18286	10.1
479.15622	2.0
497.16550	85.2
497.27759	3.2
498.17206	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	497.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18723	0.5
55.01768	1.1
57.03336	3.6
57.29932	0.5
58.00483	0.8
58.00754	0.5
59.01265	27.6
61.98722	0.8
67.01773	1.3
68.99699	1.9
69.03342	1.6
69.91709	3.4
71.01272	27.9
72.99205	6.9
73.02840	2.7
75.00359	1.2
75.00768	17.1
78.95818	0.6
79.05423	0.7
81.03376	0.7
83.01280	2.2
84.02061	0.8
85.02844	29.2
87.00773	10.0
89.02345	8.8
91.03922	1.8
93.03361	4.8
95.01292	6.9
96.60210	0.6
96.95918	0.6
97.02856	1.9
97.06486	0.8
99.00771	8.4
99.04447	0.9
101.02338	3.6
103.00285	2.9
105.03352	0.7
109.02847	3.1
111.00797	1.0
111.04425	2.3
113.02360	40.4
114.02670	1.4
115.00289	2.0
117.01861	3.0
117.03330	1.1
119.04971	3.0
121.02901	1.3
123.04429	2.0
129.01860	3.1
131.03406	1.1
132.76230	0.7
133.02888	5.3
134.03632	2.9
135.04446	2.1
143.08617	1.3
145.02907	3.0
145.13770	0.6
153.01859	3.6
154.99490	0.9
155.03371	1.6
157.01364	1.4
157.10150	1.1
159.06592	0.8
159.11761	7.4
160.01724	0.5
161.04459	0.8
163.03954	3.5
170.07298	1.0
173.04503	4.9
175.02454	3.1
175.03854	0.8
177.01974	1.0
179.03482	1.1
185.09698	2.3
191.05600	6.3
193.05037	1.4
203.10767	7.6
207.05112	1.7
211.07706	1.0
221.11607	0.7
229.08658	1.5
231.05128	1.7
235.07596	0.7
247.09740	4.2
249.06201	23.2
250.06525	1.6
267.07281	100.0
268.07590	5.6
283.06253	0.6
289.17047	0.7
319.08276	2.0
327.09421	0.6
335.32877	0.7
400.13867	0.9
453.17593	1.6
479.16122	1.0
497.16769	60.3
497.27444	10.9
498.17087	9.2
498.28156	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	497.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.6
57.03348	3.8
58.00483	1.1
59.01269	40.8
60.01612	1.0
61.98717	1.9
67.01780	2.0
68.99723	1.7
69.03350	2.5
69.90727	1.2
69.91143	2.1
71.01276	33.7
72.01649	0.8
72.99204	7.9
73.02843	4.8
75.00768	16.6
78.95839	0.6
79.05438	0.6
80.02586	0.6
81.03385	1.1
83.01272	2.7
83.04930	1.3
85.02850	33.7
85.50170	0.5
86.03212	1.1
87.00780	11.7
89.02343	8.1
91.03901	1.5
91.09900	0.5
93.03367	8.0
95.01285	6.0
95.04926	0.8
96.01576	0.6
96.95909	0.8
97.02864	1.8
97.06466	0.8
99.00784	9.7
99.04430	1.1
100.01084	0.5
101.02350	7.5
103.00291	2.7
105.03334	0.8
109.02877	2.6
111.00806	1.8
111.04435	3.1
112.01601	1.2
113.02364	38.5
114.02670	1.1
115.00304	1.9
117.01859	3.4
117.03374	1.9
119.03454	0.6
119.04948	6.1
121.02876	1.3
123.04463	3.5
125.02398	0.6
127.03936	1.1
129.01883	3.3
129.07047	1.0
131.03421	0.9
133.01358	0.9
133.02895	10.1
133.04971	0.6
134.03706	4.2
135.04468	3.3
137.02400	2.5
143.08649	0.9
145.02902	6.7
147.04460	1.2
149.04523	0.9
151.04048	0.5
153.01878	3.1
154.99567	1.3
155.03468	2.0
157.01364	1.1
157.10205	0.8
159.06616	1.1
159.11743	6.3
161.02406	1.6
161.04539	1.2
163.03978	6.0
170.07289	0.6
171.10229	0.6
172.64941	0.5
173.04526	9.0
174.04884	0.7
175.02460	3.0
175.03886	1.1
177.01930	3.1
178.02745	0.8
179.03508	1.9
183.06651	0.7
183.08098	0.6
185.09718	2.4
191.05620	12.2
193.05089	2.1
203.10797	8.4
204.11035	0.6
205.07124	0.7
207.05150	1.5
211.07687	1.7
221.11690	1.5
229.08582	2.9
231.05161	1.8
247.09673	4.5
249.06207	23.8
250.06483	1.5
265.10843	0.9
267.07285	100.0
268.07605	6.2
280.82584	0.5
289.05331	0.7
319.08221	2.7
320.13568	0.6
321.13495	0.8
327.08774	0.7
337.09354	0.6
357.09708	0.8
370.55957	0.6
400.13852	1.0
405.10306	0.7
433.59164	0.6
453.17664	2.3
479.15662	1.2
497.16733	67.5
497.27557	20.1
498.17212	10.8
498.27704	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	497.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50857	0.8
51.67806	0.8
55.01767	2.2
57.03339	6.7
58.00480	1.5
59.01266	66.2
61.98708	3.2
67.01765	3.4
68.99710	5.3
69.03343	4.8
71.01270	49.8
71.44892	0.8
72.99203	14.4
73.02839	6.0
75.00767	48.6
75.54913	0.8
78.95783	0.9
79.05422	2.4
81.03352	3.2
82.58841	0.8
83.01286	3.6
83.04905	1.2
84.02065	1.3
85.02843	52.1
86.03125	1.0
87.00771	23.1
89.02347	11.4
91.03905	1.9
93.03342	6.5
95.01284	12.3
96.95915	8.3
97.02848	3.0
99.00777	24.6
99.04413	1.6
101.02335	2.9
103.00277	6.4
103.03928	1.1
109.02818	1.9
111.00777	2.9
111.04425	5.8
112.01520	1.0
113.02358	68.2
114.02703	2.4
115.00288	7.1
117.01846	6.2
119.04929	1.8
125.15318	0.9
127.03892	0.9
127.97100	0.8
129.01860	6.2
129.05533	0.9
129.07060	2.0
131.03433	1.1
133.10139	0.9
135.04442	2.0
139.00352	0.9
143.08597	5.5
145.02866	2.2
157.01352	3.6
157.10181	4.0
159.11748	24.6
160.12131	2.4
161.02361	1.1
161.04500	1.1
163.03986	1.6
165.45708	1.0
170.07303	1.8
171.10213	2.5
173.04543	3.1
175.02480	8.0
185.09653	8.8
189.04044	1.4
191.05580	6.7
195.06606	2.0
195.08195	2.0
196.08401	2.0
201.03973	1.7
203.10756	52.3
204.11121	3.5
205.07164	3.0
207.05052	2.7
212.06619	0.9
223.08287	1.6
229.08687	4.7
229.92651	1.1
231.05170	7.0
247.09784	5.7
249.06192	90.2
249.14996	1.6
250.06506	4.7
267.07269	79.7
268.07590	4.0
300.32352	1.0
310.60342	1.1
321.13504	3.7
329.23517	2.9
335.22293	6.4
348.10388	1.0
393.15707	1.5
405.10440	3.1
453.17722	37.5
454.18195	5.7
479.15448	1.2
497.16815	100.0
497.25449	5.1
498.17050	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	497.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36289	0.7
51.82504	1.0
57.03340	1.2
59.01260	7.3
69.03341	3.0
70.10435	4.2
71.01269	2.7
74.03165	0.8
78.95808	1.6
81.52997	0.8
83.01260	1.2
85.02861	5.0
87.00776	28.3
90.91726	0.9
93.03368	2.2
96.95933	1.9
96.96860	0.9
97.02845	2.4
98.19815	1.1
100.42422	0.8
101.02352	0.8
111.00813	2.5
113.02372	1.0
117.03372	8.6
117.80157	1.1
119.04943	36.2
120.05251	1.2
129.01855	4.8
145.02885	82.4
146.03221	3.2
160.23450	0.8
163.03958	34.9
164.04277	1.9
166.84721	0.9
177.01903	1.1
191.05562	7.2
201.04018	37.7
202.04364	1.7
205.05211	1.0
219.05081	10.5
235.06081	0.9
271.40948	1.0
277.07239	1.8
365.08820	100.0
366.09216	10.6
378.21371	1.0
497.13077	20.8
497.20465	1.3
498.13498	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	497.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	6.8
57.39026	1.0
59.01267	63.4
61.98719	3.4
67.01759	2.9
68.99709	5.6
69.03352	8.0
70.56223	2.5
70.56615	2.2
71.01273	49.7
71.64698	1.1
72.01604	1.2
72.99210	14.7
73.02827	5.7
75.00764	34.9
78.95798	1.7
79.05428	2.0
80.65834	1.1
81.03348	2.7
83.01289	4.8
83.04919	1.9
85.02848	46.9
87.00784	19.8
89.02347	11.0
91.03912	2.7
93.03352	6.1
95.01289	10.4
96.95915	3.4
97.02856	3.8
98.20510	1.5
99.00782	23.8
99.04411	2.6
100.93376	1.3
101.02339	3.9
103.00275	4.8
109.02859	2.5
111.00802	3.3
111.04436	4.9
113.02364	62.2
115.00266	9.1
117.01878	6.6
117.03401	1.0
119.04952	2.7
121.02949	1.5
125.02412	2.5
127.03878	2.0
129.01862	3.6
129.07019	1.9
130.99770	1.5
133.02908	1.5
135.04451	2.2
143.08598	3.6
151.07568	4.0
157.01379	4.0
157.10187	5.1
159.11757	21.7
161.02406	1.6
161.04503	1.8
163.03987	2.8
170.07260	1.7
171.10295	2.2
173.04538	3.6
175.02477	6.9
185.09691	5.3
189.03975	2.0
191.05621	11.3
195.06599	10.0
195.08156	4.9
196.08475	3.7
197.08867	2.1
201.04060	3.5
202.04401	3.1
203.04611	1.7
203.10754	48.4
204.11086	4.0
205.07140	3.2
207.05086	2.2
229.08687	3.8
231.05110	6.1
247.09769	4.7
249.06210	79.3
250.06595	5.6
267.07275	72.4
268.07672	4.4
313.10089	1.8
321.13654	2.9
329.23474	1.5
335.22388	46.9
336.22742	4.2
361.95291	1.3
405.10471	3.2
453.17709	33.9
454.18356	4.0
479.15744	1.3
497.16840	100.0
497.27328	5.6
498.17221	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	497.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09090	0.4
57.82270	0.4
59.01266	10.4
60.36681	0.4
61.98722	1.9
69.03352	1.2
71.01272	5.4
71.57323	0.5
72.99162	0.4
73.02828	1.2
81.03345	0.6
81.48586	0.3
82.00777	0.4
82.01238	0.4
83.01295	0.7
83.04935	0.8
85.02422	0.4
85.02845	2.7
89.02349	2.7
89.03883	0.6
91.05419	0.4
91.07384	0.4
93.03362	18.0
94.03721	0.5
95.04930	0.7
98.20034	0.4
101.02357	2.6
106.04111	0.8
107.04926	4.3
108.02097	2.2
109.02862	7.8
111.04438	2.6
113.02369	1.6
117.03362	2.0
119.03461	0.8
119.04948	1.8
121.02895	1.9
122.03613	0.5
123.04449	2.6
132.02118	0.8
133.02887	18.0
134.03682	7.3
135.04451	100.0
136.04781	4.1
137.02376	9.9
138.02673	0.6
139.03932	0.7
141.07033	0.9
145.02951	1.0
146.03711	0.4
147.04457	1.1
148.05267	0.5
151.03996	0.6
152.01083	2.7
155.03452	1.1
159.04456	4.7
160.04749	0.6
161.02399	76.1
162.02730	4.8
163.03932	2.1
165.07036	0.6
167.03432	4.0
167.08601	0.5
172.05167	0.7
173.04518	4.2
173.06047	1.5
174.06802	2.4
175.03966	0.6
177.01993	0.5
178.02707	1.6
179.03465	59.5
180.03796	2.8
181.06543	0.6
183.08131	1.2
185.06039	4.5
191.05609	2.5
193.06575	2.4
196.05330	0.6
199.07671	0.6
201.05605	0.8
201.09166	1.4
203.03435	0.9
209.06050	5.2
210.06761	1.5
211.07637	26.3
212.07904	2.2
213.05600	1.2
227.07187	0.9
229.05089	1.7
229.08720	6.2
237.05644	0.5
247.09901	0.6
255.06665	14.3
255.09335	0.7
256.07083	1.4
273.07745	44.8
274.08112	4.7
290.19379	0.4
291.08813	0.9
299.05707	4.9
317.06723	27.6
317.21292	0.7
318.07108	3.0
335.07794	6.8
335.22406	1.9
336.08072	0.8
336.12021	0.4
409.12970	0.6
455.46802	0.5
497.10980	10.8
497.27713	14.8
498.11472	1.6
498.28149	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30188	0.2
59.01265	100.0
60.01601	1.3
61.98724	2.6
69.85033	1.4
82.19768	0.2
93.03388	0.2
96.95962	0.3
101.05985	21.3
102.06361	0.7
116.15253	0.2
133.02983	0.2
161.02463	0.5
169.75839	0.3
191.05710	0.5
220.71698	0.3
224.71510	0.2
225.49924	0.3
339.04996	0.3
484.36093	0.2
495.09320	0.3
495.21164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89198	0.3
59.01269	11.4
60.01606	1.6
61.01697	2.1
61.98721	100.0
67.99003	0.4
71.47392	0.5
71.47725	0.5
95.60147	0.3
99.04433	0.8
110.17064	0.4
165.82237	0.4
191.05692	0.4
214.98587	0.4
335.09946	0.4
522.33765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26289	0.2
55.95458	0.2
59.01263	6.7
60.01602	1.1
61.01695	1.3
61.98719	100.0
62.22269	0.2
69.72076	1.3
74.99884	0.2
78.95813	0.2
95.01165	0.2
98.20523	0.3
99.04446	0.6
151.57314	0.2
153.82761	0.2
156.48569	0.2
160.84177	1.0
173.04543	0.2
232.94548	0.2
249.63620	0.2
271.98093	0.2
302.63138	0.2
335.22733	0.3
404.85782	0.2
494.25543	0.3
500.00302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.6
59.01265	19.7
69.37936	3.2
71.00905	0.4
71.01273	7.2
72.99181	0.8
73.02844	0.4
78.95784	1.6
81.03342	2.2
83.01274	0.4
83.04878	0.4
85.02844	3.0
87.00768	0.4
89.01832	0.6
89.02341	7.2
95.01293	0.7
97.02879	0.4
97.06488	6.4
99.04448	0.5
101.02364	3.5
109.06488	3.9
113.02374	4.9
119.03431	2.1
120.02052	0.4
123.08063	0.7
125.06042	0.5
127.07571	17.2
128.07913	0.6
131.03432	0.4
135.08083	2.2
136.04784	0.4
139.98572	0.4
143.03450	0.7
147.11725	0.7
149.09601	0.4
152.99504	1.8
160.01617	0.9
161.04471	1.0
163.11263	2.6
165.12811	5.3
166.13069	0.5
175.03976	1.1
179.05548	1.8
181.12262	0.8
183.13875	7.7
184.14243	0.7
189.12823	6.6
190.13161	0.8
220.83611	0.4
271.20712	12.6
272.21158	1.3
289.21802	47.1
290.22131	6.0
315.19653	1.5
333.20786	100.0
334.21121	13.7
357.20801	4.8
375.21704	0.6
399.22366	0.6
403.11349	0.4
408.45700	0.4
435.23892	0.5
495.21420	0.5
495.26303	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.3
56.87669	0.3
57.03339	0.5
58.00479	0.5
59.01266	17.9
60.75407	0.4
61.54210	0.4
61.98708	0.9
62.92082	0.4
71.01270	6.0
71.06161	0.5
71.06483	0.5
72.99203	0.5
73.02817	0.5
76.83639	0.3
78.43221	0.3
81.03358	2.4
83.01289	0.8
85.02843	3.8
87.00758	2.0
89.02339	6.6
91.18816	0.4
93.03374	0.6
93.42693	0.3
93.74032	0.3
95.01268	0.8
96.95916	0.7
97.02829	0.4
97.06491	5.3
101.02339	3.6
109.06513	3.2
109.70663	0.4
113.02360	4.3
117.03384	4.1
119.03465	1.9
119.04938	2.6
123.08084	0.9
127.07571	15.8
128.07912	0.6
135.08089	1.9
143.03380	0.4
145.02882	16.5
146.03226	1.0
147.04536	0.5
147.11723	0.9
149.09645	0.6
161.04474	1.0
163.03941	2.2
163.07347	0.4
163.11243	2.7
165.12778	4.8
166.13202	0.3
173.09714	0.4
179.05569	1.3
181.12405	0.6
183.13866	6.5
187.11201	0.4
189.11151	0.6
189.12827	6.6
190.13135	1.1
191.05531	1.3
201.04073	0.5
208.30383	0.4
226.06369	0.4
231.17726	0.4
271.20731	11.6
272.21085	1.6
273.15060	0.4
289.21805	46.0
290.22125	4.3
313.21863	0.6
315.19745	1.6
333.20792	100.0
334.21118	12.2
357.20773	4.4
358.21161	0.8
375.21957	1.2
384.86276	0.4
399.21994	0.7
435.24118	0.4
495.13147	1.8
495.20761	0.3
495.26199	3.3
496.13705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	4.2
58.00482	4.2
59.01266	84.9
60.01596	0.7
61.98728	0.2
67.01781	0.5
68.99747	0.3
69.03349	1.5
69.49695	1.8
71.01271	100.0
71.04898	0.4
72.01606	2.0
72.99203	5.4
73.02838	18.2
75.00756	1.3
81.03359	0.7
83.01281	8.3
83.04913	0.6
84.02071	0.9
85.02844	30.6
86.03188	0.8
87.00777	5.2
89.02340	62.1
90.02674	1.1
93.03354	0.6
95.01293	7.1
95.04957	0.4
97.02851	10.4
97.06496	0.4
98.03207	0.3
99.00784	8.1
99.04439	0.3
100.01117	0.4
101.02351	67.0
102.02695	1.4
109.02869	0.9
109.06495	0.4
110.03656	0.2
111.00784	0.7
111.04435	0.4
113.02360	43.4
114.02693	1.4
115.03932	0.3
117.03468	0.2
119.03422	28.9
119.04910	0.8
120.03760	0.7
125.02368	2.4
127.07526	0.2
129.01878	1.1
131.03433	3.2
133.02852	0.3
139.00290	0.3
143.03442	8.6
145.02887	0.5
147.08290	0.2
149.04510	2.5
159.02943	7.4
161.04507	44.6
162.04840	1.6
163.03960	0.6
163.11229	0.5
165.09161	1.3
173.04550	0.2
174.87843	0.2
175.07587	0.3
177.12802	0.8
179.05574	11.8
180.05898	0.5
189.09203	1.1
189.12825	0.3
191.05569	1.0
191.10727	1.5
191.14413	1.0
193.15935	0.3
195.06566	0.3
195.08159	0.9
201.04077	0.8
203.14572	0.3
205.03508	1.1
207.17516	0.5
219.17564	0.4
232.74336	0.2
249.15007	0.6
259.20789	0.2
261.22342	1.1
263.16568	0.6
271.20776	0.5
276.61511	0.2
277.21732	0.3
287.20261	0.7
289.18054	0.6
289.21719	0.6
297.18570	1.2
299.16470	0.5
303.19711	0.6
305.21259	3.4
306.21692	0.4
311.09357	0.9
313.21762	0.4
315.19708	6.9
316.20016	0.9
331.22791	0.3
333.20789	53.2
334.21115	6.8
357.20862	1.0
375.21899	1.6
387.21750	0.4
417.22971	0.7
452.13077	0.2
477.25235	0.7
495.26129	33.8
496.26489	6.4
518.55493	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00698	0.1
58.67841	0.1
59.01259	0.4
65.03839	0.1
69.03330	0.1
69.60747	0.2
69.61151	0.6
71.01267	0.3
81.03348	0.3
84.46487	0.1
93.03367	0.4
102.98534	0.2
108.02067	0.7
109.02883	0.7
119.01257	0.2
121.08234	0.1
136.01604	1.8
137.02373	100.0
138.02704	4.1
138.03798	0.1
179.03403	0.1
183.13878	0.2
191.05531	0.1
195.13858	0.2
213.14949	1.1
270.32990	0.1
333.20602	0.1
442.16879	0.1
495.22461	14.4
496.22794	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	495.246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21266	0.6
53.86536	0.6
57.03337	1.0
57.77183	0.5
58.00480	1.8
59.01268	37.8
60.01599	0.7
61.32037	0.5
61.98726	4.9
69.03343	2.4
71.01274	23.8
72.99201	1.5
73.02838	5.8
78.95782	1.2
80.88246	0.6
83.01257	1.4
84.98215	0.6
85.02850	5.2
87.00785	8.7
87.97371	0.6
88.68946	0.6
89.02343	32.6
90.02702	0.9
93.03359	2.2
95.01260	1.1
96.95921	5.6
97.02877	2.4
99.00780	11.0
101.02351	16.9
109.02859	0.7
111.00794	1.1
113.02374	5.5
117.03384	27.7
118.03695	1.5
119.03449	3.3
119.04946	11.4
125.02360	1.8
129.01874	0.7
131.03433	5.2
131.42821	0.6
133.02899	7.4
134.03700	0.8
135.04439	2.5
137.02382	2.3
141.09195	0.7
143.03445	1.3
145.02895	100.0
146.03226	5.9
147.04494	3.3
149.04504	22.7
150.04939	1.0
150.06847	0.7
152.99577	0.7
161.02393	18.3
161.04553	2.0
161.05875	0.8
163.03960	13.6
164.04292	0.9
173.04533	2.6
173.05913	0.7
179.03568	1.4
179.05663	1.4
183.02983	1.5
184.49203	0.6
191.05585	8.4
192.19196	0.6
201.04056	3.3
215.06947	0.7
221.06670	1.3
233.06787	0.9
243.06789	0.7
251.07797	2.2
337.09494	0.7
347.07635	1.5
349.09418	1.0
376.62839	0.7
398.12378	2.8
435.22504	33.2
436.22858	5.3
495.13116	9.6
495.22870	7.9
495.33514	2.0
496.13614	1.4
496.23355	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	495.225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48769	0.1
57.03342	0.3
58.00484	0.1
59.01265	2.4
69.03348	0.1
71.01271	2.4
72.99194	0.1
73.02844	0.8
77.03845	0.1
78.95807	0.2
81.95665	0.1
83.01277	0.4
85.02846	1.1
87.00771	0.4
89.02331	0.7
89.03860	0.2
95.01295	0.2
96.95920	0.1
97.02853	0.1
99.00799	0.3
101.02341	1.6
105.03385	0.4
109.02833	0.1
111.00758	0.1
113.02370	0.7
115.01786	0.2
117.03385	1.9
119.04930	0.3
121.02905	0.2
123.04463	0.2
132.02098	1.5
133.02890	32.2
134.03114	1.2
135.04454	7.6
136.04848	0.2
137.02365	0.6
139.03929	0.3
145.02914	2.0
152.99530	0.2
160.01631	0.1
161.02400	100.0
162.02733	5.5
163.03934	0.4
164.95601	0.1
177.05635	0.1
178.02704	0.1
179.03474	3.4
180.03873	0.3
187.56529	0.1
256.73541	0.1
435.22876	0.2
495.22449	68.4
496.22800	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	495.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50572	0.2
54.32085	0.2
59.01266	2.2
59.44768	0.2
61.98721	0.7
65.03859	0.3
67.01756	0.1
71.01286	1.0
71.58868	0.2
71.59332	0.2
73.02824	0.3
85.02847	0.4
87.49976	0.2
89.02353	0.4
93.03362	65.8
94.03700	2.1
96.95928	0.4
99.00787	0.3
101.02357	0.4
106.28046	0.2
111.04341	0.2
113.02370	0.5
121.02850	0.3
125.02370	0.3
133.02888	0.5
134.03691	0.4
135.04462	0.5
137.02380	100.0
138.02710	4.0
145.02917	0.6
150.06784	0.2
160.01674	0.2
161.02380	0.7
173.04533	0.4
175.03986	0.2
179.03482	0.4
191.05605	0.7
223.00871	0.2
229.08554	0.2
333.21045	0.2
398.12485	0.2
495.23315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.8
59.01266	7.0
65.17509	0.2
65.30913	0.2
69.03384	0.4
69.48633	1.6
69.49041	0.4
71.01273	8.1
71.04923	0.2
72.99217	0.4
73.02845	2.4
78.95800	0.4
79.56192	0.2
83.01281	1.1
85.02846	4.2
87.00816	0.4
89.02345	2.8
94.10385	0.2
95.01296	0.9
98.19770	0.3
99.00788	1.2
99.04391	0.4
101.02351	5.8
105.03344	0.3
109.02822	0.4
109.06517	0.5
112.34376	0.2
112.67570	0.3
113.02360	3.3
117.03381	1.2
119.03437	1.2
123.04439	0.3
127.07581	0.3
132.02109	1.6
133.02884	33.4
134.03099	1.2
135.04448	7.7
136.04781	0.5
137.02415	0.2
143.03467	0.3
159.02960	0.7
161.02391	100.0
161.04558	2.8
162.02736	5.6
162.04880	0.3
163.04025	0.3
165.05508	2.0
165.72101	0.2
178.02679	0.3
179.03462	3.3
226.97987	0.2
271.02585	0.3
271.20599	0.3
289.21863	1.3
314.04166	0.3
331.44461	0.2
333.20657	2.1
349.46204	0.2
495.22354	64.1
496.22717	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	495.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.8
61.78409	0.1
61.98714	0.3
69.03361	0.2
69.64494	0.3
69.64899	0.6
71.01266	0.4
78.95826	0.1
80.02571	0.4
81.03373	0.1
85.02859	0.3
88.98708	0.1
93.03352	0.3
95.01316	0.2
98.94654	0.1
100.01522	0.1
101.02368	0.3
108.02079	26.6
109.02370	1.0
113.02341	0.2
121.02912	0.4
123.04445	11.2
124.04765	0.6
133.02896	1.5
135.04445	0.7
139.56578	0.1
145.02899	0.2
152.01096	51.0
153.01416	2.0
153.02589	0.2
161.02397	3.1
161.04474	0.1
162.02727	0.3
167.03453	100.0
168.03801	4.8
173.04498	0.1
177.01909	0.4
179.03473	0.5
183.10316	0.1
191.05592	0.5
451.16019	1.3
452.16495	0.3
495.18765	1.5
495.25647	0.2
496.19748	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.9
57.03344	2.4
58.67770	0.3
59.01266	6.9
61.98717	1.4
65.03840	0.5
67.01774	0.7
68.99721	0.4
69.03345	11.9
70.03674	0.4
71.01271	5.5
71.04910	0.5
71.60428	0.5
72.49239	0.3
72.99196	0.5
73.02837	1.2
75.00777	0.4
80.66075	0.3
81.03358	1.9
83.01278	6.3
83.04916	1.9
84.02061	1.0
85.02853	4.6
87.00764	1.4
89.02355	1.5
93.03354	7.7
94.03721	0.3
95.01289	1.0
95.04926	5.3
96.99212	4.2
97.02855	12.0
97.03487	0.6
99.00781	1.1
99.04438	1.0
101.02351	2.0
102.98530	0.6
108.02076	0.5
109.02862	1.3
111.00793	16.2
111.04434	2.1
112.01137	0.5
113.02338	1.8
114.98523	0.3
115.00270	1.0
115.05441	0.7
117.03384	1.6
119.03455	0.6
119.04950	4.1
120.05316	0.5
121.02877	1.6
123.00768	0.4
123.04422	0.8
125.02386	0.6
127.03925	0.5
129.01854	8.3
130.02153	0.4
131.04958	0.7
133.02917	0.8
134.03679	0.8
135.04466	1.1
137.02377	0.5
139.03944	0.7
141.01875	7.4
143.04970	4.0
144.13766	0.3
145.02901	3.2
146.03136	0.4
147.04453	1.2
149.05995	0.3
151.00287	0.4
152.01094	1.4
153.01848	0.4
157.05034	1.2
161.02385	0.9
161.04498	0.6
163.03992	2.0
173.04471	2.1
177.01854	0.5
178.02657	0.4
178.99823	1.8
179.03473	0.6
179.05566	0.4
191.05585	8.3
192.05966	0.4
193.05038	0.9
193.06650	0.3
195.08139	100.0
196.08464	8.1
201.04041	42.4
201.09169	0.3
202.04427	1.6
207.08197	0.5
219.05174	0.4
219.08194	1.3
221.09741	1.2
227.03482	0.9
239.27968	0.3
239.30301	0.3
249.09242	3.9
255.02971	2.3
256.03528	0.5
283.02618	1.8
284.03281	2.4
285.03702	0.8
293.08176	1.6
299.04163	51.7
300.04565	3.4
310.43903	0.3
311.09323	5.1
312.09601	0.4
315.05212	2.6
333.20737	0.3
381.30447	0.4
393.25473	0.3
398.21191	0.4
421.56924	0.4
495.13074	7.5
495.25769	1.2
496.13623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42549	1.2
57.03335	1.9
59.01266	45.8
60.99185	1.6
61.98713	5.1
65.03841	2.2
68.99702	3.1
69.03344	17.0
71.01276	18.0
71.57390	1.7
71.57798	1.3
72.99205	2.1
73.02839	7.3
75.00720	1.4
77.03860	2.7
77.52740	1.4
78.95760	1.5
81.03352	5.0
83.01274	8.4
83.04917	4.6
85.02850	17.6
87.00774	61.2
88.98687	4.2
89.02339	4.7
93.03364	15.2
95.01271	1.9
95.04932	3.5
95.86998	1.8
97.02852	15.2
99.00774	5.8
99.04391	1.8
101.02346	5.3
108.02083	2.8
109.02866	6.5
109.71996	1.3
111.00803	13.4
111.04405	6.7
113.02354	7.5
115.00301	10.1
116.50014	1.3
117.03378	12.7
118.03685	1.4
119.03527	2.7
119.04944	100.0
120.05259	4.8
121.02866	4.5
125.02362	1.5
127.03935	2.2
129.01851	6.1
133.02908	2.2
134.03630	3.0
135.04401	5.8
137.02391	2.4
139.03943	4.0
141.01909	10.6
145.02893	63.9
146.03210	3.1
147.04462	17.0
149.04558	1.6
150.25735	1.5
155.03528	1.7
161.02415	2.5
161.04614	1.5
161.06015	4.6
163.03957	67.3
164.04300	2.9
173.04549	9.0
173.05902	2.0
177.01894	2.9
179.03387	1.7
183.02998	8.6
183.04362	1.5
183.13870	3.8
191.05588	21.5
192.05914	1.7
193.05025	1.5
195.08090	4.4
200.31073	1.4
201.04027	82.5
202.04379	4.8
205.05045	7.1
206.07272	1.7
207.08195	6.9
210.06746	1.4
211.07625	4.9
213.14961	20.5
215.07115	4.7
221.09711	7.5
222.10406	2.0
223.11395	2.7
231.06604	3.0
237.09239	8.4
249.09245	36.0
250.09644	3.7
267.10327	16.4
268.10645	1.5
273.07773	4.5
281.09225	1.8
285.07751	1.9
293.08249	2.6
296.11603	2.2
303.09000	6.3
311.09402	20.0
312.09662	2.5
331.08157	10.3
332.08276	1.4
333.20554	1.5
347.07693	9.7
349.09521	1.9
365.17902	1.8
397.11401	5.1
397.61771	2.1
420.19199	4.4
435.22314	3.0
464.18448	7.1
469.02408	1.5
495.13080	19.6
495.21051	1.7
495.23898	2.4
496.12750	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	2.0
56.53052	0.5
57.03378	2.0
59.01264	16.3
65.03876	1.2
66.15991	0.8
66.90258	0.6
67.01799	1.1
68.99746	2.3
69.03345	10.1
71.01274	22.8
71.63203	0.8
72.99243	0.8
73.02872	2.4
74.55267	0.5
75.13480	0.5
77.03898	1.8
81.03368	3.0
83.01270	4.4
83.04966	2.5
85.02851	11.1
87.00775	38.5
89.02337	8.1
91.94618	0.6
93.03364	9.4
95.01345	1.2
95.04986	1.9
97.02851	10.8
99.00790	3.9
99.04456	0.7
101.02354	8.5
109.02885	3.5
111.00771	4.2
111.04432	2.8
113.02367	8.7
113.81541	0.6
115.00287	24.3
115.05489	1.3
117.03425	1.5
119.03467	3.3
119.04945	15.0
121.02904	2.4
125.02361	0.9
127.04035	0.7
129.01901	1.9
131.03554	0.7
131.04984	0.9
133.02934	1.1
139.03940	1.4
141.01830	3.6
143.03566	0.8
143.04977	4.4
145.02908	2.6
147.04449	8.2
157.05051	0.7
159.02908	0.7
161.04517	4.4
163.03975	11.5
164.04376	0.9
173.04604	0.8
179.05550	0.9
183.02997	2.4
193.06532	0.9
195.08139	100.0
196.08469	7.5
201.04033	77.6
202.04378	3.5
207.08128	0.9
219.08163	2.2
221.09737	3.1
223.11307	3.6
249.09271	9.0
250.09537	0.9
259.71829	0.6
267.10373	4.7
268.10657	1.0
293.08307	6.9
299.04153	4.8
311.09332	31.1
312.09735	3.5
315.19724	1.6
333.20770	6.2
334.21048	0.9
495.13132	11.3
495.25583	4.3
496.12888	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	495.0804
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
57.03331	1.9
58.00474	1.5
59.01266	39.3
59.90328	1.2
60.01589	3.3
61.98709	13.3
62.00938	1.5
63.02283	2.5
65.00208	8.5
67.01760	1.6
69.03315	2.6
71.01263	21.5
72.01612	1.7
72.99202	2.8
73.02842	1.5
74.93771	1.3
81.03334	1.9
82.94848	1.3
83.01277	5.9
83.04958	1.4
85.02844	7.5
87.00777	3.1
89.02323	17.7
90.02663	3.1
91.01784	1.2
93.03350	2.4
95.01277	7.8
96.99215	1.8
97.02848	3.2
99.00779	5.8
101.02348	9.2
102.02725	1.8
106.00491	3.4
107.01289	11.2
108.02080	3.1
109.02864	11.8
110.00018	2.0
111.00788	11.7
113.02370	9.0
114.02668	2.2
115.05443	1.6
119.03421	6.3
120.99270	1.4
121.02876	2.7
123.00818	10.9
123.04383	2.1
124.01566	5.4
124.98718	3.7
125.02386	7.2
129.01854	1.8
133.02879	6.2
135.00780	1.7
135.04443	4.7
136.98759	3.7
137.02380	6.4
137.43494	1.4
137.99501	1.8
139.00279	13.0
140.01035	1.9
141.01849	4.2
141.02847	1.5
143.04942	3.3
145.02844	2.2
147.04465	3.4
148.01596	4.1
148.98735	1.8
149.02357	5.8
149.06073	2.5
149.99510	8.4
151.00313	29.4
152.01062	5.3
153.01863	8.0
154.99850	2.5
157.02879	2.0
158.03700	1.7
159.04497	8.2
161.02388	9.2
161.04460	2.3
163.00307	5.0
163.03929	2.3
164.01106	2.1
164.98225	4.0
165.01904	4.2
165.99037	2.9
166.99800	4.8
168.00583	6.2
169.01332	6.1
169.02649	1.4
171.04469	7.1
173.02396	3.2
174.03149	2.5
175.03975	11.6
176.46915	1.3
177.01869	5.9
177.99060	12.5
178.98227	2.1
178.99831	42.5
179.03386	3.7
179.05597	5.7
180.00424	3.9
180.05884	2.0
181.01349	3.5
181.98538	1.6
185.02373	2.7
187.03976	13.7
188.04489	1.8
189.01901	9.6
189.05470	1.8
190.02594	2.2
190.99791	1.6
191.03496	4.1
191.05569	4.2
192.00581	3.2
193.01445	4.4
194.99336	5.6
198.03032	2.1
199.03990	7.6
201.01920	5.7
202.02606	2.9
203.03484	13.6
204.04109	2.6
204.97728	2.6
205.01434	3.5
205.05000	1.8
206.02223	1.5
206.99362	3.7
207.02957	4.5
208.00127	1.9
209.00879	4.6
213.01949	4.0
214.02602	3.1
215.03525	15.0
216.03880	2.0
217.01399	4.7
217.05013	3.7
218.02158	3.6
219.02977	3.4
222.98804	3.5
227.03493	4.5
229.01437	4.1
230.01984	3.1
231.03020	14.2
232.00165	2.4
232.03798	17.4
233.04607	14.1
241.01367	3.3
242.02254	4.0
243.03027	21.3
244.03558	2.3
245.00935	3.3
245.04512	2.8
246.01483	2.4
247.02510	3.7
255.03009	2.1
257.00891	3.4
258.01666	6.9
259.02454	16.5
260.03207	4.6
261.04031	6.2
269.00781	1.5
270.01596	2.8
271.02521	46.9
272.02896	4.5
275.02069	2.5
286.01273	6.9
287.02036	56.8
288.02704	12.6
289.03577	9.1
297.00488	7.2
299.02014	33.7
300.02618	8.1
301.03555	2.4
303.01453	5.0
304.02097	3.0
305.03168	2.3
314.00684	3.4
315.01517	100.0
316.01932	10.5
317.02832	3.1
332.01758	21.2
333.02585	16.1
343.06851	2.4
355.06848	3.1
359.06317	5.0
395.09775	9.2
423.09344	2.9
449.07013	1.9
451.08759	6.1
451.33240	2.5
462.08224	8.6
463.08774	2.8
467.08331	2.5
477.06696	5.8
478.07413	2.2
494.24548	3.6
495.07874	89.8
496.08313	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	494.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81354	0.2
59.01264	6.0
60.01606	0.9
61.01668	0.3
61.98718	100.0
62.98419	0.4
70.67818	0.5
70.68185	0.3
75.00793	0.2
75.10961	0.2
78.95795	1.5
99.04428	0.6
103.90319	0.2
115.60835	0.2
133.02910	0.4
161.02431	0.4
269.09454	0.2
390.23892	0.2
494.22360	0.2
494.29227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.9
59.01266	23.5
61.98716	6.5
63.02310	1.8
65.00208	8.7
68.99701	1.8
69.44865	2.8
69.45269	11.4
71.01273	8.2
71.68790	1.2
72.99189	1.6
73.02822	1.9
74.13608	1.6
78.95812	2.1
83.01279	4.8
85.02847	3.8
87.00742	1.7
89.02336	5.1
92.66644	1.4
93.03359	2.3
95.01285	7.2
96.95881	1.4
96.99177	2.0
97.02845	1.5
99.00810	2.5
101.02344	6.0
106.00489	4.8
107.01308	8.3
108.02072	1.9
109.02863	10.8
109.99995	3.9
111.00784	7.7
113.02349	5.1
119.03368	1.7
119.04893	1.6
120.99300	1.3
121.02888	3.0
122.39445	1.4
123.00786	8.9
124.01561	5.6
124.98756	2.2
125.02391	8.1
126.02709	1.9
133.02870	7.2
135.00824	3.4
135.04411	3.7
136.98878	1.6
137.02370	2.7
139.00301	11.3
139.03943	1.6
140.01053	1.6
141.01804	2.6
143.04961	3.1
145.02925	2.9
147.04411	3.1
148.01549	3.3
148.98717	2.6
149.02379	5.4
149.04503	1.8
149.99541	6.8
151.00317	25.2
152.01012	5.8
153.01839	5.6
154.99817	3.0
157.02924	2.4
159.04472	6.4
161.02414	12.2
163.00266	5.9
163.03943	3.3
164.98192	2.4
165.01889	3.6
165.99004	4.1
166.99792	5.5
168.00594	7.2
169.01286	4.5
171.04503	7.2
173.02428	4.6
174.03198	1.8
175.00348	1.7
175.03947	10.2
177.01926	6.2
177.99036	8.4
178.99817	30.4
179.03476	2.5
180.00510	2.5
181.98611	2.0
185.02325	1.8
187.04028	11.6
189.01881	5.5
189.05501	2.1
190.02586	2.5
191.03470	2.7
191.05556	7.3
192.00630	3.8
193.01428	4.8
194.99217	3.2
199.04018	8.8
201.01942	5.0
202.02715	2.1
203.03459	14.1
204.03947	1.7
204.97791	1.9
205.01447	2.3
205.04984	2.8
206.02138	2.0
206.99342	2.5
208.00014	1.8
209.00899	2.8
213.01944	1.9
215.03452	11.2
217.01425	6.0
217.05008	2.8
218.02104	3.0
219.02992	4.4
222.98862	3.3
226.02824	2.1
227.03467	3.4
229.01440	4.4
230.02127	2.4
231.02972	9.0
232.00214	2.0
232.03741	14.4
233.04523	10.4
241.01399	2.3
242.02220	3.9
243.03032	17.9
244.03281	2.5
245.00917	4.0
245.04527	4.6
246.01770	2.0
247.02444	4.4
257.00964	2.0
258.01611	4.4
259.02502	12.5
260.03198	3.8
261.00275	2.0
261.04065	4.2
269.01031	2.5
271.02545	42.6
272.02911	5.0
286.01245	5.9
287.02039	46.8
288.02734	11.2
289.03455	6.2
297.00427	5.0
299.02051	31.5
300.02646	5.5
301.03421	3.2
303.01462	4.6
304.02298	2.8
305.03204	2.1
314.00687	2.3
315.01559	100.0
316.02017	9.3
332.01767	19.7
333.02493	13.2
343.06680	2.5
359.06171	3.9
395.09955	10.9
423.09351	2.8
451.08856	6.1
462.08328	6.5
463.08203	1.5
467.08578	2.4
477.07037	9.2
478.07346	1.6
495.07919	85.4
495.19604	3.5
496.08173	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	494.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.4
61.98721	100.0
62.98418	0.3
68.65379	0.2
71.58918	0.2
114.08765	0.1
117.90530	0.2
174.07158	0.2
213.68669	0.2
266.60831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	11.8
60.01596	0.6
61.01693	0.2
61.98717	100.0
70.16411	1.2
76.30573	0.2
93.28410	0.3
99.04426	0.6
101.05991	1.0
111.08174	0.2
119.72215	0.2
135.04539	0.3
143.96465	0.3
154.08730	0.3
161.02377	0.3
191.05667	0.5
209.11913	0.3
229.51865	0.2
244.88324	0.2
321.17883	0.3
326.24286	0.4
334.67831	0.3
494.26352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58310	0.2
59.01261	0.9
60.01595	0.2
60.89380	0.2
61.98718	100.0
62.98416	0.2
64.81837	0.2
71.16232	0.4
71.16572	0.2
82.19740	0.2
85.36186	0.2
86.17080	0.2
89.44431	0.2
99.04385	0.4
111.65753	0.2
137.72156	0.2
145.42870	0.2
149.11742	0.2
162.88239	0.2
194.36009	0.2
514.17841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50378	0.2
59.01250	0.5
61.98717	100.0
62.98436	0.3
69.48387	0.7
69.48820	1.0
98.20673	0.2
148.84615	0.2
152.99596	0.4
187.30064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01487	0.2
50.22299	0.2
51.49919	0.2
55.53495	0.2
56.41269	0.3
59.01262	2.1
60.01604	0.2
61.98718	100.0
71.49637	0.4
83.13422	0.2
99.04431	1.0
103.69460	0.2
106.44359	0.2
116.43789	0.2
140.43805	0.3
184.21104	0.3
189.87529	0.2
222.06691	0.2
399.93018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33220	0.6
53.31312	0.4
55.88843	0.5
58.96262	0.4
59.01265	100.0
60.01610	1.4
61.98717	4.8
69.52635	1.4
69.53061	2.4
75.00755	3.2
76.81473	0.5
78.95789	4.5
83.04965	0.7
89.08029	0.5
99.04417	5.0
101.06023	1.3
110.92742	0.4
111.62930	0.5
152.99518	11.1
175.78554	0.5
181.95818	0.5
191.05719	0.6
209.11783	2.7
265.21899	1.6
277.21960	0.8
279.23190	0.8
303.19592	0.7
375.25598	1.4
405.26538	1.1
431.22308	3.1
433.26108	1.8
475.24255	0.7
493.26343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08371	0.3
59.01265	100.0
60.01596	1.6
61.98715	4.3
71.01279	1.1
71.37676	0.7
73.02824	0.4
99.04420	13.9
100.04738	0.4
108.29614	0.3
130.10216	0.3
136.42770	0.3
191.05745	0.3
301.68591	0.3
317.21252	1.9
433.26019	1.8
493.22269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	8.1
60.01603	1.0
61.01678	0.7
61.98716	100.0
71.56582	0.6
71.77824	0.3
77.52802	0.4
78.91177	0.3
78.95795	3.2
84.57412	0.4
99.04430	0.8
107.41909	0.3
108.04507	0.4
112.07729	0.3
124.84616	0.3
134.85126	0.3
145.02948	0.6
150.78030	0.3
152.99522	4.1
194.39571	0.3
266.22198	0.6
290.41916	0.3
306.67200	0.3
407.22357	0.9
431.24765	0.4
494.26248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65620	0.1
59.01263	100.0
60.01596	1.2
61.98717	1.1
70.60944	0.2
70.61288	0.1
78.95797	0.2
87.00748	0.1
99.04414	7.2
99.31811	0.1
100.04810	0.2
177.38010	0.1
186.75540	0.1
233.15425	0.2
333.20920	0.5
351.21838	3.7
352.22336	0.4
433.26166	0.9
493.28372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63851	0.6
55.99059	0.5
58.38423	0.4
59.01266	100.0
60.01603	0.9
61.98721	7.8
62.06289	0.4
68.71852	0.5
70.69125	0.6
70.69456	1.1
78.95817	1.1
99.04414	5.9
108.78843	0.4
132.18605	0.5
140.28619	0.5
178.26823	0.5
179.03416	0.5
211.08005	0.5
267.63501	0.5
299.97281	0.4
333.21017	0.7
351.21823	5.2
433.26273	0.8
469.35483	0.5
493.27988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44098	0.3
59.01265	100.0
60.01596	1.3
61.98719	0.6
65.68652	0.3
68.89880	0.4
70.58226	0.3
70.77674	0.3
71.12868	0.7
71.13221	0.5
88.10385	0.3
90.95774	0.3
96.31841	0.3
99.04417	7.8
100.04763	0.3
210.80908	0.3
221.14772	0.3
243.90131	0.3
338.05945	0.3
351.22006	0.8
433.26038	0.8
468.50781	0.4
512.73480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03382	0.1
58.54494	0.1
59.01267	100.0
60.01603	1.3
61.98722	0.5
70.73459	0.2
71.01271	0.1
78.95828	0.1
85.02820	0.1
87.04427	0.1
99.04420	7.2
100.04794	0.2
199.58606	0.1
233.15540	0.2
315.19876	0.1
333.20786	0.6
334.21201	0.1
351.21841	3.6
352.22452	0.3
433.20511	0.2
433.26129	0.8
493.28568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.6
57.03335	3.0
58.00469	2.9
59.01264	100.0
60.01605	1.1
69.03336	1.0
70.02929	0.8
71.01271	49.6
71.36692	1.2
72.01604	1.0
72.63666	0.7
72.99191	3.2
73.02836	4.2
75.00768	1.2
75.16029	0.6
83.01260	3.2
85.02843	10.7
87.00770	4.7
89.02336	62.3
90.02664	0.8
93.03368	1.6
95.01283	3.9
97.02859	1.9
99.00798	2.0
99.04433	1.0
101.02342	29.8
102.02698	0.8
109.02863	3.0
111.00803	1.2
111.04420	2.6
112.30505	0.7
113.02354	18.6
114.02719	1.4
119.03419	24.3
119.04819	0.9
121.02876	0.9
121.06506	10.5
123.00820	0.7
124.01579	2.0
125.02384	5.3
131.03410	3.6
133.02908	1.4
135.04431	1.8
139.00331	0.8
143.03458	6.7
149.04529	2.7
149.99556	2.5
151.00282	1.6
159.04532	1.1
161.02429	4.3
161.04492	9.9
161.09673	15.2
162.10051	1.4
168.00587	6.5
169.01178	0.6
178.99817	1.0
179.05569	35.4
180.05917	1.5
191.05592	1.8
211.07713	0.7
214.13646	1.1
219.14006	1.3
221.15465	8.7
222.15907	1.0
258.01779	0.6
287.01950	1.1
287.20267	2.3
299.02078	1.3
301.03467	1.4
303.01395	1.3
314.01016	1.0
327.08627	0.7
331.01074	1.4
331.06790	4.3
331.19183	7.9
378.19632	0.8
383.20807	1.1
433.24484	5.3
434.25027	0.9
449.25427	1.6
451.32593	1.1
486.66818	1.0
493.10437	9.4
493.24536	90.1
494.10049	1.1
494.24921	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	493.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03333	2.0
58.00500	2.8
59.01265	100.0
60.01605	1.6
69.03359	1.0
70.28417	2.5
71.01270	47.5
72.99195	2.5
73.02834	3.1
75.00778	0.7
81.03351	0.7
83.01281	3.0
85.02832	8.0
85.86496	0.6
87.00790	4.4
88.03479	0.5
89.02338	59.8
90.02662	0.8
93.03366	1.3
95.01292	2.4
97.02839	1.2
99.00790	1.1
99.04435	1.0
101.02347	26.8
102.02686	1.1
109.02889	2.8
111.00851	1.1
113.01749	0.5
113.02358	19.0
119.03416	22.5
119.04884	1.0
119.09566	0.5
121.02869	1.0
121.06520	8.2
123.00794	0.6
124.01582	1.2
125.02355	5.1
131.03403	3.2
133.02887	1.8
135.04454	1.8
143.03413	6.7
149.04520	2.1
149.99544	2.5
151.00363	1.1
161.02423	4.2
161.04492	9.3
161.09660	10.4
162.02681	1.0
162.10016	0.6
163.14421	0.6
165.33871	0.5
166.99866	0.6
168.00604	8.2
176.77251	0.6
176.78673	0.7
179.05574	31.1
180.05963	0.7
187.04060	0.8
191.05585	2.4
215.03415	0.6
221.15500	5.9
233.14742	0.6
271.02487	0.8
287.02139	1.1
287.20163	1.2
299.02075	2.1
312.99945	0.9
313.05960	0.8
327.08600	0.7
331.00980	1.0
331.06894	5.2
331.19315	4.4
383.20691	0.9
420.42410	0.7
433.24573	4.3
434.25128	0.7
449.20035	0.7
449.25491	1.4
451.33270	1.6
475.24136	0.7
493.10089	9.1
493.24554	54.5
494.10413	1.4
494.24854	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	493.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56686	0.8
55.01759	1.3
57.03337	1.9
59.01268	24.9
61.98720	1.1
69.03329	1.7
69.31380	1.5
69.31796	6.2
71.01273	23.3
72.99208	2.3
73.02839	6.8
75.00768	1.9
83.01289	3.3
83.04940	0.7
85.02843	14.2
87.00748	3.3
89.02336	5.4
93.03371	2.0
95.01298	1.6
97.02835	5.7
98.19807	1.1
99.00793	2.2
101.02346	13.8
108.02071	1.3
109.02865	4.7
111.00790	1.7
111.04445	2.5
113.02369	15.3
119.03401	2.0
119.04971	1.2
121.06524	14.7
123.08111	1.3
125.02374	1.6
127.07573	11.7
130.26547	0.6
131.03462	0.9
133.02917	1.2
137.02457	1.2
143.03458	2.4
145.02866	0.8
152.01103	1.1
161.02376	1.0
161.04543	1.6
161.09665	15.5
163.03954	1.9
167.03484	2.3
173.04483	1.9
191.05574	4.6
191.07133	15.3
203.14455	1.1
205.08688	11.1
206.09267	1.6
207.10233	1.5
214.13605	1.5
221.08240	3.0
221.15492	14.8
222.15787	1.4
255.03056	1.3
269.19116	0.8
283.02472	1.3
284.30347	0.6
287.20270	2.3
313.18173	7.9
314.18723	1.4
329.21143	1.0
331.19235	72.9
332.19595	9.4
349.20294	51.2
350.20660	5.4
351.07861	0.7
373.20346	2.2
383.20975	1.5
403.21515	1.6
449.25214	1.7
475.23474	1.0
477.22232	0.8
493.24588	100.0
494.24960	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	493.2455
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
55.01762	1.8
57.03338	1.8
58.00466	0.6
59.01265	34.0
61.98722	0.7
62.72989	0.6
69.03339	1.6
69.80498	3.3
71.01268	19.3
71.04922	0.6
72.99196	2.5
73.02848	6.5
75.00768	1.8
78.95811	0.7
81.03359	0.7
83.01288	3.8
85.02839	10.4
87.00776	3.0
89.02338	6.9
91.84826	0.6
93.03362	2.2
95.01299	1.7
96.95921	1.3
97.02847	4.2
98.20465	0.9
99.00803	2.6
99.04424	1.2
101.02345	15.6
108.02106	0.6
109.02864	5.6
111.00808	1.5
111.04436	3.4
113.02354	11.0
114.02687	0.8
115.03926	0.6
117.03340	0.7
119.03410	3.2
119.04943	1.2
121.02860	0.7
121.06504	11.5
122.06889	0.8
123.08038	1.3
125.02386	2.2
127.07578	4.7
128.07967	0.5
129.01956	0.7
131.03401	0.9
133.02893	2.9
135.04402	1.3
137.02380	1.4
143.03459	1.4
145.02882	1.8
147.08156	1.1
152.01097	1.2
159.02962	0.7
161.02376	6.7
161.04510	1.8
161.09666	13.6
163.03944	1.1
163.11102	0.6
165.05594	1.4
165.84146	0.6
167.03448	0.9
173.04572	0.9
179.03441	0.8
187.07614	0.7
191.05585	3.3
191.07141	5.6
199.11340	0.8
205.08687	4.2
206.09283	0.9
207.10313	0.6
214.13655	1.4
219.13895	1.1
221.08299	0.9
221.15472	12.1
221.17506	0.8
222.15837	1.6
271.02585	0.7
287.20132	3.3
299.01471	0.6
313.18057	4.1
314.04398	1.2
315.05133	0.8
329.21255	0.7
331.19226	36.9
332.19507	4.6
349.20300	18.8
350.20743	2.7
360.56097	0.7
370.87225	0.5
373.20364	2.3
383.21008	1.0
403.21439	0.6
415.23511	1.2
416.23123	0.6
449.24997	3.1
450.25195	0.9
493.24640	100.0
494.25031	17.3
494.30417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.4
57.03326	1.2
59.01266	18.6
69.03352	1.4
71.00894	0.8
71.01272	11.9
72.99206	0.8
73.02836	7.2
73.43386	0.5
81.03355	0.8
83.01285	2.1
85.02846	8.7
87.00779	0.5
89.02301	0.6
95.01273	1.1
97.02846	7.7
97.06467	0.8
99.00768	0.6
99.04447	0.7
101.02352	12.9
102.98473	1.0
109.02856	1.3
111.04454	0.6
113.02362	13.3
114.02654	0.5
121.06542	0.8
123.00758	0.5
123.08075	1.8
125.02400	1.5
127.07577	17.7
128.07913	0.8
135.04416	0.5
135.91039	0.5
143.03452	2.0
145.02913	0.8
145.06477	0.7
146.85809	0.5
147.08090	1.7
159.11673	0.6
161.04517	3.5
161.09692	3.7
163.11223	3.9
165.09131	1.0
165.84862	0.5
171.08058	0.5
173.09682	0.6
175.07706	0.5
175.11205	0.7
187.07559	0.6
189.05566	1.2
189.09158	0.7
191.03455	0.7
191.07112	22.8
192.07446	1.9
201.09163	1.7
203.10767	3.2
203.14490	1.0
204.11533	0.9
205.08685	18.8
206.09203	2.3
207.10277	1.2
215.10686	0.6
217.08795	0.6
221.08255	2.8
223.09714	0.8
229.63383	0.5
245.08226	0.6
247.09775	0.6
255.61960	0.5
269.19131	1.6
313.18173	6.8
314.18652	0.7
329.21347	2.3
331.19238	100.0
332.19568	14.4
343.18942	0.6
349.20294	54.9
350.20630	7.9
363.21848	0.9
371.22412	0.8
373.20300	16.3
374.20828	1.9
385.20349	2.7
391.21246	1.8
392.21906	0.5
403.21310	1.6
415.21384	1.6
445.22290	1.5
493.24429	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.5
59.01264	7.5
59.98405	0.3
63.89932	0.2
65.67104	0.2
69.03348	1.1
71.01271	4.5
72.99194	0.3
73.02838	0.7
75.00765	4.2
81.03351	0.9
83.01275	0.6
85.02839	2.4
86.94192	0.2
87.00769	0.3
89.02349	1.3
95.01313	0.3
95.04909	0.3
97.02851	22.7
97.06496	1.0
97.09248	0.2
98.03185	0.6
99.00792	0.4
99.04426	0.5
101.02370	1.3
103.81441	0.3
105.06977	0.4
107.04945	0.7
109.02860	1.2
113.02353	2.7
114.04477	0.3
119.03425	0.8
121.06465	0.3
122.03683	1.6
123.08095	0.6
127.07570	9.8
128.07893	0.4
129.01881	0.5
133.10132	0.3
135.08087	0.7
137.02411	0.3
147.02948	0.9
147.08087	0.5
159.08118	0.5
161.04504	0.6
161.09666	1.7
163.07571	0.3
163.11241	0.4
165.05551	1.0
165.09181	0.7
173.09746	1.1
179.10735	0.5
181.08682	0.5
181.12325	0.6
187.11256	1.0
189.05605	0.5
189.12831	17.6
190.13210	1.5
191.07132	5.1
191.10828	0.5
192.07509	0.3
203.10843	0.3
203.14415	2.3
205.08693	13.3
206.09177	1.1
207.10280	3.4
208.10381	0.3
214.42448	0.2
215.14476	0.3
221.08153	0.3
221.15460	0.9
227.14606	0.3
229.39784	0.3
243.14030	0.7
253.16057	0.5
255.17403	0.3
259.20731	0.3
269.19156	5.8
270.19562	0.6
271.17163	0.3
281.15427	0.6
283.17111	4.3
283.20151	0.3
284.17465	0.5
285.18719	0.7
287.20343	1.5
294.47241	0.3
295.17078	0.8
309.18674	0.4
311.20270	0.6
313.18164	69.2
314.18481	8.9
327.19897	1.6
331.19214	100.0
332.19553	14.4
343.19260	0.7
345.20770	0.9
355.19153	3.0
356.19608	0.4
367.19199	0.3
373.20212	2.5
374.20770	0.3
385.20187	0.8
403.21460	1.5
493.24219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01455	0.6
57.03339	59.2
58.00482	1.0
58.03676	0.8
59.01265	100.0
60.01593	2.0
61.01688	0.6
69.03348	1.0
71.01270	31.6
72.01624	0.8
72.99199	2.0
73.02836	15.6
74.23383	0.6
75.00768	1.1
81.03347	1.8
83.01271	5.1
85.02847	7.5
85.28925	0.6
87.00781	2.2
89.02338	20.2
93.03366	2.3
95.01305	2.1
95.04957	0.9
96.95851	0.8
97.06484	0.9
99.00787	0.9
99.04418	54.4
100.04792	0.8
101.02348	33.4
102.02679	0.6
113.02357	17.1
113.05991	2.5
114.02682	0.8
119.03422	8.3
119.04980	0.8
123.04441	7.0
123.89205	0.7
125.02364	19.0
126.02717	0.7
131.03430	2.2
132.02126	0.9
133.02914	1.1
134.03674	2.8
136.01736	0.7
141.05536	1.9
143.03439	6.0
147.03052	0.6
149.02438	1.5
149.04494	3.6
149.05893	0.6
150.03174	2.6
151.03957	0.8
153.05530	1.3
160.01712	1.1
161.04524	10.1
163.84839	0.6
165.05510	2.9
166.02657	0.7
175.04056	1.7
179.05579	11.1
183.06522	0.7
191.05585	6.0
193.05061	2.9
195.06615	1.7
202.85132	0.6
218.51425	0.6
221.06714	2.3
229.57390	0.7
277.75339	0.6
297.09912	3.0
331.17715	4.5
349.18707	9.3
350.19229	0.9
391.19852	6.1
431.22940	1.3
433.24539	3.8
449.20508	1.2
493.23206	20.6
494.23697	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	493.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.3
57.03333	0.3
58.00474	0.2
59.01263	4.0
70.92428	0.3
71.01269	3.3
72.99193	0.3
73.02845	1.1
78.95802	0.4
80.13687	0.1
83.01280	0.5
84.10828	0.1
85.02840	1.8
87.00764	0.3
89.02361	0.9
89.03879	0.3
93.03345	0.5
95.01286	0.8
97.02869	0.2
99.00798	0.4
99.04427	0.3
101.02335	2.1
103.99520	0.2
105.03358	0.3
106.41367	0.2
109.02848	0.2
111.00797	0.2
113.02394	1.2
117.03371	1.1
119.03438	0.2
119.04980	0.2
121.02834	0.2
122.83834	0.2
123.04433	0.3
125.02317	0.2
129.01878	0.2
132.02084	1.4
133.02879	29.9
134.03279	1.2
135.04449	7.4
136.04770	0.4
137.02382	0.5
139.00281	0.3
145.02814	0.2
151.85326	0.1
160.01587	0.2
161.02386	100.0
162.02725	5.4
163.03993	0.3
177.05537	0.2
178.02806	0.2
179.03462	4.6
180.03789	0.2
191.05605	0.9
200.45642	0.2
221.04575	0.2
281.06894	0.2
289.22986	0.2
315.04843	0.1
331.19211	1.0
331.22870	0.2
349.20178	0.3
408.21332	0.1
432.27090	0.2
433.27298	0.3
451.28189	0.4
492.28970	0.2
493.20895	67.9
494.21204	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	493.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64882	0.6
55.01776	0.7
57.03339	77.2
58.00488	1.2
58.03667	1.4
58.74418	0.8
59.01266	100.0
59.96237	0.9
60.01589	1.7
60.49873	0.9
61.98714	0.9
64.13831	0.7
69.03344	1.2
69.65092	2.2
69.65501	3.4
69.77299	0.8
71.01270	38.3
72.99191	2.9
73.02441	1.3
73.02834	16.9
75.00787	2.0
78.95779	1.4
79.05418	0.7
81.03338	1.8
83.01283	5.9
85.02834	9.2
87.00768	3.4
88.78438	0.7
89.02341	26.0
93.03363	2.7
94.87359	0.7
95.01292	2.0
96.95918	1.2
97.02805	1.2
97.06484	1.5
98.19806	1.1
99.00787	2.0
99.04421	58.6
100.04755	1.7
101.02345	40.0
102.02679	1.2
113.01625	1.5
113.02367	22.7
113.05991	2.1
119.03436	9.5
119.04893	1.2
120.99550	1.0
123.04456	7.1
123.61987	0.7
125.02372	20.3
126.02725	1.2
131.03429	1.8
133.02859	1.0
135.04468	1.2
137.02452	0.9
141.05536	1.6
143.03438	4.9
149.04507	2.9
155.03400	1.2
160.49084	0.8
161.02441	2.1
161.04474	11.4
161.27629	0.8
173.04504	1.2
179.05585	9.2
191.05602	4.2
205.29457	0.8
221.06705	1.0
299.02060	1.4
331.17676	13.2
349.18747	19.3
350.19263	1.8
373.22528	1.3
391.19690	8.5
391.23242	0.7
396.21228	0.8
431.22906	2.2
433.24619	8.2
434.24881	1.2
493.11316	1.8
493.23083	29.5
494.23331	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	493.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45226	0.2
55.01756	0.2
57.03339	0.2
59.01269	2.1
60.23763	0.1
61.98722	0.2
69.03355	0.2
71.01271	1.7
73.02848	0.7
83.01267	0.3
85.02835	1.1
87.00787	0.3
89.02367	0.2
93.03355	0.3
95.01319	0.3
95.04935	0.2
99.00806	0.2
99.04447	0.2
101.02338	1.2
105.03368	0.4
107.04955	0.2
109.02770	0.2
113.02370	0.7
117.03391	0.8
121.02885	0.3
123.04401	0.4
125.02436	0.2
132.02094	1.4
133.02882	29.1
134.03256	1.1
135.04454	7.6
136.04778	0.4
137.02338	0.4
139.03888	0.2
145.02913	0.2
150.03204	0.2
151.00330	0.1
161.02390	100.0
162.02734	5.2
177.01799	0.3
178.02625	0.3
179.03459	5.2
180.03766	0.3
189.05574	0.2
191.05554	0.8
215.03465	0.2
242.02206	0.6
243.02945	0.9
244.03345	0.2
257.04623	0.2
270.01892	0.4
271.02545	1.1
285.04166	0.5
299.01904	0.2
300.02774	0.5
313.03586	0.5
314.04361	1.9
315.05124	1.7
316.05450	0.2
375.17133	0.1
493.20898	58.5
494.21249	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	493.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.3
59.01265	3.1
69.40177	1.9
69.40517	0.4
71.01277	1.8
71.32542	0.2
73.02855	0.4
77.03855	0.3
80.91557	0.2
83.01281	0.4
85.02839	1.0
89.02348	0.7
100.62127	0.2
101.02328	1.0
102.85058	0.2
105.03373	0.4
107.04970	0.3
109.02826	0.2
113.02348	0.4
117.03345	1.1
123.04412	0.3
132.02084	1.8
133.02881	33.4
134.03278	1.3
135.04451	8.0
136.04681	0.2
137.02446	0.5
148.05182	0.3
155.33435	0.2
161.02386	100.0
162.02736	5.1
177.05568	0.2
179.03452	4.0
180.03702	0.3
221.04523	0.6
237.77713	0.2
281.06854	0.3
365.77277	0.2
493.20883	63.3
494.21201	10.5
494.28555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07558	0.2
55.01769	0.3
57.03335	0.2
59.01265	5.5
61.36377	0.2
61.98726	0.6
69.03353	0.2
69.33060	1.4
71.01273	3.2
72.99196	0.3
73.02824	1.0
75.00774	0.2
78.95781	0.3
83.01287	0.5
85.02842	1.8
87.00778	0.3
89.02332	1.1
89.03858	0.3
93.03366	0.2
95.01273	0.4
96.95905	0.2
96.96887	0.2
97.02815	0.2
97.06438	0.2
99.00764	0.4
99.04482	0.2
101.02337	1.7
105.03373	0.5
107.04951	0.4
111.00774	0.6
111.04445	0.3
113.02357	1.3
117.03378	0.6
119.04964	0.2
123.04465	0.3
125.02436	0.3
125.09652	0.5
129.09134	0.3
131.03462	0.2
132.02103	1.3
133.02885	28.2
134.03131	1.0
135.04449	8.8
136.04782	0.5
137.02359	0.5
139.03951	0.3
145.02922	0.6
147.04430	0.2
151.07610	0.5
160.01659	0.2
161.02393	100.0
162.02728	5.6
163.03981	0.3
165.84679	0.2
173.04517	0.4
177.01834	0.2
179.03467	5.4
180.03825	0.3
187.09747	1.2
191.05641	1.3
195.06631	1.7
197.11949	0.2
211.09637	0.3
229.10817	0.5
253.10904	0.2
271.02432	0.3
271.11987	0.6
299.02124	0.2
300.02576	0.2
307.13705	0.2
313.07205	0.4
314.04300	0.2
315.05136	0.3
323.07928	0.2
331.13919	0.5
331.24948	0.5
381.51547	0.2
389.15927	0.2
447.22299	2.2
493.20923	52.3
493.29922	3.5
494.21265	9.0
494.29654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	5.9
57.03342	6.2
58.00490	1.9
59.01268	42.2
60.01606	0.5
61.98716	1.5
67.01771	0.7
67.15053	0.4
68.99712	0.7
69.03340	4.1
71.01271	100.0
71.60408	0.4
72.01611	1.7
72.99210	3.8
73.02837	38.5
74.03184	0.7
75.00764	3.6
81.03355	2.4
83.01279	15.2
83.04932	0.6
84.02064	1.0
85.02845	43.6
86.00034	0.6
86.03186	0.7
87.00781	5.0
89.02339	25.7
93.03365	4.8
95.01289	6.7
97.02849	7.0
97.06506	0.3
99.00781	21.5
99.04422	1.7
99.08044	0.4
101.02349	64.8
102.02721	1.8
109.02869	0.6
111.00794	2.5
111.04425	0.8
113.02359	35.6
114.02690	1.1
115.03925	5.2
116.92812	0.8
117.03382	0.9
119.03455	0.7
119.04963	1.6
121.02885	0.4
123.04433	0.4
125.02374	12.2
127.03935	0.9
129.01874	1.4
129.09158	1.3
131.03441	5.2
133.02898	0.5
134.03622	0.4
135.04466	1.0
137.02422	0.5
139.00313	0.4
143.03429	5.2
145.02885	1.9
145.08627	0.4
149.04498	4.1
151.07568	0.4
155.03421	0.9
159.02950	6.9
161.04514	53.7
162.04811	2.1
163.03957	1.9
168.71202	0.3
173.04503	3.5
174.04800	0.5
179.03523	0.8
182.14447	0.5
183.08206	0.5
191.05603	6.7
192.05930	0.6
195.06566	0.4
205.03548	2.1
215.05620	0.7
233.06682	13.6
263.07681	0.6
293.08817	7.4
294.09354	0.5
307.14166	0.8
319.08179	0.4
361.13016	50.9
362.13443	6.7
384.21793	0.4
405.12186	0.7
431.60538	0.4
447.22516	1.5
449.22766	0.4
458.19193	0.4
493.17242	78.4
493.30075	3.0
494.17554	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	493.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92678	0.5
59.01265	3.0
65.00217	0.9
65.64867	0.6
70.43019	0.5
70.43356	1.8
71.01272	2.1
73.02817	0.6
77.03876	0.6
83.01285	1.6
85.02870	1.1
89.02390	0.6
95.04934	1.5
101.02354	1.0
105.03360	2.8
107.01276	3.7
113.02354	0.6
117.03394	0.7
121.02918	0.5
123.04422	0.6
132.02078	1.4
133.02879	37.6
134.03307	1.5
135.04454	8.0
137.02380	0.7
137.06410	0.5
143.04913	0.7
148.01601	0.9
151.00320	8.0
161.02385	82.2
162.02753	3.2
163.00325	0.7
164.01062	1.6
171.04462	2.0
173.02394	0.5
175.03931	0.8
175.87735	0.5
177.01889	9.4
178.99821	1.5
179.03448	6.1
186.03201	0.7
187.03891	0.6
191.05582	2.0
197.02440	0.9
198.03157	0.7
199.03970	7.1
201.01842	3.0
203.03439	1.5
214.02792	1.0
215.03508	6.7
225.02026	0.9
225.15021	0.6
226.02673	1.8
227.03487	6.4
228.04195	0.7
229.01369	1.1
241.01494	2.2
242.02220	21.0
242.04692	1.1
243.03004	51.6
244.03378	4.4
245.00958	1.8
250.90025	0.5
255.02991	2.0
257.04593	14.4
258.04959	1.5
270.01746	20.6
271.02515	50.6
272.02921	4.3
282.01852	0.7
283.02527	1.2
285.04108	30.3
286.04785	8.0
298.01208	2.0
299.02008	5.4
300.02808	25.9
301.03238	2.5
313.03610	34.4
314.04385	100.0
315.05133	84.4
316.05481	7.6
449.08691	1.0
474.04102	0.7
493.20895	49.6
494.21167	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	492.2743
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
59.01264	52.8
60.01605	3.3
61.98720	3.7
62.83925	0.6
69.03313	0.7
71.01262	2.1
71.56084	1.2
76.04098	0.6
78.12328	0.6
78.95795	100.0
85.02886	1.0
93.03357	1.6
93.37473	0.6
96.96864	7.3
97.02825	1.1
99.04395	2.6
115.03920	2.2
121.02858	1.1
133.02885	1.8
134.03661	1.3
135.04420	2.4
137.02390	1.5
140.01111	2.9
150.03174	0.7
152.99518	21.0
161.02359	3.0
162.02760	0.8
164.91899	0.7
171.00583	21.2
171.10201	10.0
179.03488	0.8
182.02287	0.9
191.05591	2.2
195.13853	2.2
196.03793	2.0
209.11803	0.6
214.04819	2.6
238.57837	0.7
277.21774	12.3
278.22107	1.4
295.22842	33.5
296.23239	4.2
316.54828	0.7
330.83759	0.7
334.21320	1.0
388.22189	2.3
408.79166	0.7
416.21866	0.9
418.23657	2.2
432.24863	3.3
450.27835	0.9
492.27417	81.0
493.20831	1.0
493.27722	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	492.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01268	9.3
60.01582	0.6
61.98719	1.8
63.60160	0.2
69.74861	0.7
69.75253	0.7
71.01259	0.7
71.04910	0.6
78.95794	12.1
83.01252	0.3
96.96870	0.6
97.06486	0.2
99.04428	0.4
99.08002	0.4
113.09630	2.3
115.03867	0.9
121.02888	1.5
133.02823	0.7
134.03682	0.4
135.04488	0.3
137.02327	0.4
140.01100	2.9
148.05197	0.9
149.05687	0.4
152.99556	1.7
161.02353	0.9
163.07573	1.1
164.07945	0.4
166.26784	0.2
171.00584	1.0
175.03949	0.3
177.12842	0.7
179.03394	0.3
179.14343	1.0
181.12315	0.6
191.05574	0.9
195.13882	18.3
196.03804	1.8
196.14185	1.3
203.07088	0.4
209.11804	0.4
214.04842	4.4
255.65466	0.2
277.21771	17.1
278.22083	1.7
293.21228	0.5
295.22845	100.0
296.23184	10.3
325.23975	0.3
432.24728	0.5
492.27481	36.0
493.21317	0.5
493.27618	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	491.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87447	0.4
57.03332	1.2
58.00479	0.7
59.01264	11.1
65.71645	0.4
69.03344	0.9
70.10658	0.6
70.11056	1.0
70.81585	0.3
71.01270	9.6
72.99188	0.9
73.02832	3.6
74.10442	0.3
75.00763	0.6
83.01284	1.1
83.04903	0.7
84.02051	0.4
85.02850	5.3
87.00767	0.7
88.98716	1.7
89.02323	1.2
90.36678	0.3
93.03368	0.8
95.01279	1.0
97.02842	1.0
97.06475	0.6
97.27235	0.4
99.00789	1.0
99.04397	1.3
99.08044	1.3
101.02341	4.9
113.02358	3.5
119.03415	0.5
121.25353	0.4
125.02341	0.9
125.09641	1.6
127.11207	2.6
129.09119	0.7
133.02850	0.9
135.04422	1.2
135.62978	0.3
139.11191	1.3
155.10715	0.5
155.14363	1.0
161.02429	2.4
161.04498	0.9
163.11270	0.5
165.12811	0.6
167.14378	1.2
171.10231	9.3
172.10535	0.5
173.04581	0.8
173.06053	0.4
181.12299	1.6
183.13889	1.8
185.11885	0.6
191.05588	2.5
193.12221	0.6
197.11765	0.6
199.13391	1.2
209.11798	1.7
211.13374	14.3
212.13649	1.0
213.14877	0.9
229.14453	30.9
230.14796	1.9
235.13422	0.4
253.14427	0.5
269.21329	1.1
287.22321	5.1
288.22672	0.8
293.21362	3.7
294.21698	0.5
299.01996	0.5
311.22394	4.3
312.22708	0.5
313.23871	1.6
329.23383	25.8
330.23755	3.2
347.18756	0.4
371.24445	1.0
391.19751	2.8
392.20474	0.5
431.19711	0.4
431.26544	8.2
432.27094	0.9
444.51373	0.4
449.27744	6.1
450.28159	1.1
473.27856	0.7
491.28726	100.0
492.29037	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	491.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.5
57.03319	0.8
57.47104	0.3
58.00472	0.9
59.01266	26.6
60.01588	0.5
61.98713	0.4
65.60378	0.3
69.03336	0.9
70.50452	0.4
70.50812	1.2
71.01273	13.9
71.01669	0.7
71.04900	0.6
72.99183	1.4
73.02831	1.3
75.00757	0.4
83.01273	1.1
85.02845	4.4
87.00773	0.6
89.02337	9.2
89.03815	0.3
93.03370	1.0
95.01296	1.3
97.02846	1.0
97.06507	0.3
99.00764	0.7
99.08057	0.9
101.02351	9.3
111.00786	1.0
111.04483	0.3
113.02357	4.8
117.03370	0.4
119.03430	2.4
119.04893	0.6
123.04455	0.4
123.08070	0.9
124.61597	0.3
125.02341	2.0
125.09644	0.8
129.09140	1.4
132.02092	1.0
133.02892	14.4
134.03654	0.8
135.04469	12.6
136.04831	0.5
137.02342	0.4
139.11186	0.4
139.62173	0.3
145.02948	0.4
147.04393	0.3
149.09677	0.3
161.02403	39.3
162.02737	2.9
163.03862	0.4
167.14366	0.5
171.10225	0.8
173.04518	0.8
179.03470	8.7
180.03839	0.7
181.12201	0.3
183.13896	3.1
185.11803	1.2
189.09146	0.6
191.05640	2.3
191.07126	0.6
193.12302	0.7
197.11862	0.7
199.13319	0.7
203.03439	0.6
211.13397	22.0
212.13715	1.5
217.15945	0.5
229.14436	3.0
261.14932	0.8
293.21286	7.4
294.21671	0.6
311.22391	3.6
312.22656	0.6
313.24091	1.6
329.08456	0.4
329.17697	2.7
329.23398	13.8
330.23746	1.9
347.18640	3.1
348.19150	0.6
365.08807	6.9
366.09082	0.8
391.20041	0.4
491.12506	14.6
491.28720	100.0
492.12851	2.7
492.29092	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74082	0.3
57.03346	0.4
59.01266	100.0
60.01600	1.3
61.98721	2.1
71.01281	1.0
71.59569	0.5
73.02841	1.0
78.43148	0.3
78.95807	1.8
81.03365	0.4
83.01295	0.4
85.02843	0.4
87.00777	0.5
89.02345	0.4
96.96888	0.3
99.04420	14.8
100.04792	0.7
101.02375	0.9
106.38029	0.3
109.02879	0.4
115.03911	0.7
118.60852	0.4
133.02892	0.8
134.03694	0.6
135.04514	0.4
152.99586	1.3
160.84169	0.7
161.02423	1.0
163.11203	0.6
171.10280	0.6
173.04530	0.4
176.23203	0.3
191.05727	0.4
209.36592	0.4
225.18684	0.9
257.15710	0.5
277.21841	0.7
287.20337	0.4
295.22858	1.3
305.21359	1.3
313.18161	0.8
317.14240	0.9
331.19379	1.3
349.20227	0.4
431.24460	3.8
432.25058	0.7
491.26108	0.7
491.33951	0.8
492.03168	0.5
492.27298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2874
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
51.43720	0.2
55.01778	0.7
57.03336	1.4
58.00478	0.9
59.01265	34.0
60.01594	1.1
60.98540	0.3
61.01689	0.7
61.98703	0.3
62.87487	0.2
69.03351	0.4
69.36649	0.7
69.37063	1.8
71.01270	14.1
71.28703	0.2
72.99191	1.2
73.02837	2.6
75.00761	0.4
83.01273	1.7
83.04912	0.3
85.02847	4.8
87.00777	2.5
88.98706	0.8
89.02340	6.2
93.03365	1.7
95.01282	1.3
97.02847	0.6
97.06493	0.3
99.00772	1.0
99.04433	1.1
99.08040	0.4
99.57217	0.3
101.02352	8.2
111.00826	0.3
111.04430	0.3
113.02359	4.4
113.09607	0.3
114.02667	0.3
115.03917	0.3
119.03411	1.8
119.04908	0.5
121.02895	0.5
124.01606	0.6
125.02357	1.0
125.09625	0.6
127.11180	0.7
133.02872	3.7
134.03200	0.3
135.04430	2.3
137.02382	1.5
139.11220	0.5
143.03429	0.5
143.10681	0.3
145.02902	0.7
157.12300	0.3
159.02893	0.3
161.02393	10.3
161.04433	0.5
162.02739	0.8
163.03957	0.6
163.11290	0.4
167.10820	0.3
167.14398	0.3
171.10196	1.2
173.04510	0.6
177.74808	0.2
179.03471	1.9
180.03847	0.3
183.13818	0.6
191.05576	2.0
193.12204	0.3
195.06601	0.7
199.90244	0.2
211.13373	3.1
212.13676	0.3
229.01517	0.2
229.14432	2.8
241.21725	0.3
269.21237	1.4
271.02737	0.4
287.22372	12.2
288.22668	1.1
293.21280	6.0
294.21609	0.7
299.01923	0.7
299.22354	0.3
300.02603	0.3
311.22311	3.5
312.22772	0.3
317.18036	0.5
329.23380	7.2
330.23788	1.0
337.09470	0.4
347.18912	0.4
350.64133	0.2
365.08829	0.4
431.21735	0.5
431.26721	4.4
432.26624	0.6
448.23486	0.2
449.27664	13.2
450.27789	1.6
473.27591	0.5
491.28708	100.0
492.29074	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	491.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01595	1.4
61.98720	0.6
69.11349	0.2
77.25052	0.2
78.95802	0.7
82.40952	0.2
98.19835	0.5
99.04424	9.8
100.04756	0.5
115.03967	0.3
132.95512	0.3
135.04454	0.3
136.00833	0.3
164.63512	0.2
199.64439	0.3
214.25194	0.2
217.33641	0.3
331.19290	0.6
344.36157	0.3
349.20364	0.4
431.24484	3.3
432.25116	0.5
452.55905	0.2
491.27164	0.3
492.27719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70496	0.2
59.01268	100.0
60.01607	1.4
65.24498	0.3
70.38681	0.5
70.39029	0.8
76.77753	0.2
83.01305	0.8
98.92515	0.3
99.04424	30.2
100.04760	0.8
109.06523	0.6
175.84804	0.3
222.42929	0.3
239.29643	0.3
287.20416	0.3
323.17578	0.3
331.19403	2.2
332.19772	0.3
349.20508	1.3
387.25720	1.0
395.00748	0.3
431.24460	4.0
432.25269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40186	0.3
56.43258	0.4
58.67717	0.4
59.01266	100.0
60.01629	0.7
66.31062	0.4
69.60672	2.1
69.61092	0.6
79.73317	0.3
82.90051	0.3
83.01283	0.4
91.09247	0.3
99.04424	29.1
100.04787	0.6
116.96337	0.4
158.99986	0.4
164.61749	0.3
171.33765	0.3
224.19867	0.4
387.25281	0.4
431.24533	4.0
432.24872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01584	0.9
61.98721	2.0
71.04910	0.5
71.57945	0.8
76.71681	0.5
78.95811	1.9
83.04953	0.5
99.04419	4.3
102.77231	0.5
106.20641	0.5
134.59483	0.5
152.99501	1.0
191.05667	0.8
195.06618	0.5
210.66393	0.5
259.05054	0.5
277.21747	6.0
278.22296	0.6
290.18921	0.5
303.19870	1.0
317.21201	1.2
403.25314	1.8
431.24847	0.8
473.23474	2.2
491.18182	1.0
491.34433	0.6
519.06543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01601	0.9
69.61940	1.0
69.62369	1.5
70.04481	0.3
81.02792	0.3
83.01283	1.7
83.04911	0.5
99.04420	69.7
99.43521	0.3
100.04762	2.1
104.74521	0.3
115.03905	0.6
182.63129	0.3
259.06006	0.3
287.20166	0.6
290.69678	0.3
331.19254	0.8
354.59268	0.3
387.25424	1.5
431.19183	0.4
431.24478	5.5
432.24545	0.8
491.26193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80750	0.2
59.01264	100.0
60.01598	0.9
68.30797	0.2
69.60719	2.0
69.67455	0.2
71.57121	0.2
78.95795	1.6
99.04417	10.4
100.06952	0.2
120.96930	0.4
138.97908	0.3
152.99518	1.7
157.15150	0.2
194.17297	0.2
195.00581	0.6
213.01793	0.7
277.21780	9.4
278.22116	1.2
303.19693	0.4
310.31815	0.3
344.02597	0.2
349.20493	0.3
403.24911	0.6
431.24518	2.9
432.24692	0.4
473.23206	3.6
474.23746	0.8
491.24344	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21027	0.2
59.01265	100.0
60.01610	1.3
60.01861	0.2
61.98719	0.9
64.57464	0.3
67.01795	0.3
68.86870	0.2
69.03355	0.7
71.01270	0.7
71.04922	0.4
71.57084	0.4
74.00742	0.2
74.68792	0.3
76.88284	0.2
78.95791	4.3
78.96210	0.3
79.78048	0.2
83.01306	0.4
85.02850	0.7
85.26411	0.3
87.00799	0.7
93.03377	1.1
93.79627	0.2
97.02853	2.2
99.04424	6.9
109.43683	0.2
111.00813	0.2
113.02354	0.5
115.03922	8.3
115.04681	0.4
116.04205	0.3
133.02917	0.5
134.03679	0.6
135.04449	0.5
137.02422	0.3
152.99571	1.0
157.05042	0.4
161.02428	0.9
171.00656	0.9
173.04593	0.9
191.05640	0.8
246.89268	0.3
294.21695	0.3
316.86121	0.3
317.14258	0.3
331.19196	0.6
333.20767	0.4
349.20355	0.7
431.24432	1.9
432.25055	0.3
473.18619	0.2
491.19809	0.5
491.26669	1.3
491.33255	0.3
492.27341	3.3
492.34192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
59.01265	100.0
60.01594	1.0
61.98736	1.5
67.01786	0.7
68.21178	0.3
69.03345	2.9
69.63647	2.0
71.01267	1.0
71.04915	0.7
73.96405	0.3
78.86328	0.3
78.95796	7.5
83.04919	0.5
85.02853	0.8
87.00790	1.0
93.03354	4.0
96.96910	0.6
97.02850	15.2
98.03187	0.4
99.04416	10.4
101.02334	0.4
111.04475	0.6
113.02399	0.4
115.03905	0.5
117.80437	0.3
133.02901	0.8
134.03690	0.8
135.04454	1.1
140.01151	0.4
152.99570	1.4
160.01634	1.1
161.02383	1.8
162.03203	0.4
169.01199	0.3
171.00639	1.4
171.10246	1.1
173.04510	2.8
175.03928	1.5
178.02760	0.3
185.02225	0.4
191.05692	0.8
196.03844	0.5
199.04118	0.3
203.85658	0.3
206.06543	0.3
277.21790	1.4
291.19574	0.3
293.21420	0.7
294.21780	1.1
295.22784	3.2
323.22424	0.8
329.27148	0.5
331.19302	0.4
333.20926	0.9
431.18347	0.6
431.24420	6.6
432.25052	1.0
435.34302	0.4
447.35159	1.1
491.19427	1.1
491.25595	1.9
491.33276	1.8
492.20367	0.5
492.27469	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	491.2667
Annotation	Ajugaciliatin I
Peak:m/z	Relative Intensity
59.01268	100.0
60.01611	1.1
61.98725	0.6
69.03367	2.0
69.31642	4.3
71.01273	0.8
78.95823	0.8
81.58432	0.4
82.04346	0.4
85.02846	0.8
93.03376	0.6
97.02862	8.7
99.04469	0.5
113.02376	0.6
115.03944	3.7
161.02492	0.7
162.65781	0.4
163.07652	0.4
182.95668	0.3
184.33690	0.4
233.20949	0.4
333.20840	0.8
431.24591	2.8
432.25314	0.5
435.85504	0.4
491.26782	0.5
492.27649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01606	1.5
61.98730	1.8
70.51006	0.6
71.57842	1.0
75.00766	2.4
75.60929	0.7
99.04420	13.4
134.15825	0.7
137.55397	0.6
146.90103	0.6
172.88708	0.7
183.22510	0.6
191.05588	1.6
197.68906	0.6
206.85184	0.6
288.56119	0.7
314.60980	0.8
358.07071	0.7
403.24991	1.2
413.24179	0.7
431.24594	3.8
432.25095	0.8
491.26703	2.1
498.61136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.3
57.03331	0.7
58.00502	0.2
59.01265	100.0
59.11226	0.3
60.01605	1.8
60.99199	0.4
61.01696	0.3
67.01783	0.4
68.99713	0.4
69.03369	0.5
71.01271	7.8
71.04910	2.2
71.57831	0.4
72.01629	0.3
72.99205	1.0
73.02842	0.9
73.32161	0.3
75.00771	3.0
77.02441	0.2
79.63196	0.2
83.01257	0.4
83.04939	0.4
85.02840	4.1
86.03176	0.3
87.00780	1.8
88.98698	2.2
89.02352	1.6
93.03366	0.9
95.01292	1.5
99.00773	2.1
99.04423	0.3
101.02374	1.6
105.03350	0.3
108.02108	0.3
111.00811	0.4
111.04427	0.4
113.02360	4.8
115.00294	0.3
115.07558	1.7
116.92803	0.4
117.01887	0.5
117.03407	0.4
119.04961	1.0
125.02377	0.6
125.06031	0.4
127.11205	2.5
129.01889	0.5
133.02904	0.6
135.04485	0.7
143.07076	2.2
145.02913	1.0
147.17554	0.3
161.02403	0.6
163.04005	0.9
169.12294	7.3
170.12694	0.3
173.04541	0.6
175.02451	0.4
191.05559	1.6
199.13466	1.0
211.13411	0.3
223.13419	0.4
230.04919	0.3
231.05185	0.3
249.06207	5.7
267.07269	3.6
285.04620	0.3
287.22394	2.0
288.22839	0.3
303.07288	0.3
321.08322	5.4
322.08743	0.3
329.23334	0.3
335.73529	0.2
347.18655	2.1
371.18945	0.6
393.14459	0.4
431.26968	1.4
449.22546	0.3
449.27863	3.0
450.28391	0.5
491.21667	16.0
491.28915	9.3
492.22113	2.7
492.29172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49627	0.2
57.03343	1.5
59.01265	100.0
60.01608	0.9
65.39639	0.2
71.01275	2.7
71.58926	0.2
73.02837	1.2
75.00772	0.4
83.01289	0.3
85.02854	0.9
87.00798	0.2
89.02337	1.4
93.03364	0.3
95.01280	0.2
98.19930	0.2
99.00812	0.4
99.04431	1.5
101.02332	1.9
105.26209	0.2
113.02364	1.3
119.03450	0.4
123.08148	0.2
125.02397	0.8
133.02888	1.0
135.04463	1.5
137.02408	0.2
138.03087	0.2
161.02408	2.9
161.04541	0.6
173.04544	0.2
179.03467	0.9
179.05579	0.5
191.05537	1.2
219.66805	0.2
249.06302	0.2
267.07318	0.6
269.17828	0.2
347.17435	0.5
365.08936	0.5
389.22125	0.4
399.21930	0.2
422.55212	0.2
431.22870	1.0
491.11920	1.0
491.18591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.6
58.00485	0.2
59.01267	100.0
60.01609	1.1
61.98738	0.5
67.01799	0.4
68.25726	0.2
69.03349	0.2
69.38158	1.9
71.01274	4.8
71.04887	0.3
72.99200	0.5
73.02855	1.6
75.00762	1.3
79.95637	0.4
83.01298	0.6
85.02846	1.8
87.00756	1.1
89.02345	2.3
92.12106	0.2
93.03362	2.9
95.01311	0.5
97.02865	0.3
97.06468	0.3
99.00793	0.9
99.04409	0.3
101.02344	2.9
108.02076	0.3
109.02896	0.4
110.80559	0.2
111.04450	0.5
113.02358	2.3
115.00295	0.4
115.03916	0.2
117.03430	0.4
118.97993	0.4
119.03475	1.0
119.04945	5.9
120.05331	0.3
120.32288	0.2
121.02903	0.7
133.02940	0.4
134.03677	0.3
134.06042	0.3
135.04509	1.1
137.02396	0.7
145.02901	2.4
155.03467	0.9
161.02440	1.4
161.04567	1.0
163.03958	3.6
165.04111	0.4
173.04500	3.8
173.05844	0.4
175.03999	0.3
177.02025	0.2
179.03491	0.6
179.05702	0.2
191.05598	4.3
192.05927	0.3
199.07780	0.3
207.67578	0.2
210.06952	0.6
211.07710	0.8
223.07738	0.3
226.78336	0.3
237.09277	0.6
239.10910	0.6
265.08844	0.4
283.09842	0.4
317.72739	0.2
319.08365	0.9
327.08856	0.8
337.09412	0.5
371.20908	2.5
379.26993	0.2
389.22018	3.2
389.26721	0.3
390.22449	0.4
418.10831	0.4
431.22699	2.3
432.23438	0.4
483.12936	0.3
491.13565	1.7
491.21783	1.9
491.29709	0.5
492.13895	0.4
492.21671	0.3
492.32373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76394	0.3
51.08502	0.2
57.03334	1.5
59.01265	100.0
60.01593	1.1
61.98743	0.3
70.72299	0.5
70.72665	0.5
71.01263	3.0
72.99194	0.5
73.02843	1.0
75.00773	0.7
78.95793	2.4
82.93189	0.2
83.01279	0.4
85.02854	1.4
87.00748	0.6
89.02329	1.6
93.03357	0.8
96.95914	2.7
96.96867	1.5
97.02879	0.2
99.04408	1.1
101.02339	2.2
101.02805	0.2
106.04999	0.2
108.02091	0.3
109.02867	0.4
111.00779	0.3
111.04422	0.3
113.02369	1.4
119.03450	0.5
119.04976	0.6
125.02394	0.8
133.02893	1.3
135.04471	1.0
137.02391	0.4
145.02870	0.3
152.01158	0.2
152.07141	0.4
160.01680	0.3
161.02391	4.3
161.04562	0.9
162.02881	0.3
163.03983	0.8
173.04552	0.9
175.03993	0.3
179.03474	0.8
179.05617	0.4
191.05582	2.2
213.71596	0.2
228.77225	0.3
233.09457	1.2
243.05391	0.3
270.58209	0.2
271.29398	0.3
277.30643	0.3
283.10837	0.4
299.72855	0.3
311.09384	0.4
347.17349	0.3
365.09061	0.4
373.19019	0.3
389.22092	0.7
431.22736	1.6
432.23425	0.4
470.67755	0.3
491.12143	1.4
491.20020	0.9
492.18283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53880	0.3
58.35204	0.3
59.01266	10.6
61.98728	2.6
62.96284	0.7
71.01261	0.4
71.58118	0.5
78.95795	15.4
93.03371	0.4
94.97384	0.3
95.47336	0.3
96.96835	0.3
99.04412	1.7
120.96888	3.0
133.02829	0.3
135.09787	0.3
137.00012	0.9
138.97952	6.0
152.99522	16.0
195.00632	6.7
213.01678	9.8
237.68242	0.3
259.20679	0.9
277.21783	100.0
278.19028	0.6
278.22110	11.1
279.23367	2.5
280.23758	3.9
295.22852	1.1
403.25272	0.4
431.24637	0.3
473.23193	36.3
474.23642	5.5
491.24216	11.8
491.29617	0.5
492.24829	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73898	0.3
59.01264	10.4
61.98711	0.6
62.96293	0.6
71.01247	0.4
71.08526	0.9
78.95794	15.4
83.04905	0.6
96.96847	0.7
99.04404	1.1
101.90972	0.3
104.72558	0.4
114.00108	0.4
120.96910	2.7
137.00044	0.4
138.97966	4.7
152.99525	15.5
158.87363	0.4
161.02345	0.5
195.00623	6.0
213.01700	8.9
258.51935	0.4
259.20728	0.5
277.21783	100.0
278.22137	10.8
278.24478	0.2
293.70889	0.3
429.33789	0.7
473.23187	34.8
474.23569	5.6
491.24350	11.8
491.33844	4.2
492.24524	2.3
492.34320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.7
57.03357	2.8
58.00510	0.7
59.01266	18.1
59.03485	0.6
59.29241	0.7
61.98726	1.2
69.03348	1.6
69.29269	6.1
69.29669	0.9
71.01271	24.0
71.04910	31.1
72.05276	1.2
72.99193	3.9
73.02830	10.6
75.00804	2.3
81.03368	1.3
83.01281	3.5
83.04939	1.4
85.02845	21.4
87.00797	1.8
89.02330	3.4
90.74416	0.6
93.03385	2.9
95.01306	1.7
96.95946	1.4
97.02856	14.9
97.06532	1.1
99.00799	1.5
99.04450	1.5
101.02343	11.3
107.05026	0.7
109.02893	4.1
109.71457	0.7
111.04498	2.1
113.02359	32.2
117.68362	0.7
119.03494	0.7
119.04978	1.9
121.06553	1.6
121.10187	0.9
123.08078	35.2
124.08458	1.3
125.02376	4.2
125.09680	2.0
127.07561	10.4
127.11253	1.7
129.01840	0.9
133.02936	2.3
133.10223	2.6
135.04483	2.9
137.09703	0.7
143.03461	2.0
145.02855	3.0
145.10201	0.7
149.09778	0.8
153.01953	0.9
155.10794	1.3
161.02417	6.1
161.04497	4.8
161.09726	1.6
163.03986	2.8
163.07608	0.9
165.05467	0.8
165.09244	1.1
171.10287	1.8
173.04558	2.7
175.07654	1.5
177.09195	0.8
179.03514	1.6
181.08711	3.0
189.09187	26.4
190.09589	1.5
191.05588	4.0
191.07167	13.0
191.14380	0.9
199.07709	1.9
201.11288	9.9
201.12895	1.3
205.08681	14.1
206.09068	1.6
217.15970	3.1
219.13924	5.9
221.08144	2.3
223.09785	1.0
231.13951	3.4
243.14120	0.8
243.17587	1.3
245.11951	5.9
259.13406	1.5
259.20770	1.4
263.12924	8.7
275.12845	5.4
277.14700	1.0
285.18655	2.6
287.13043	3.2
287.16171	0.9
289.14612	1.0
293.21149	0.8
303.19684	7.4
304.20142	0.8
307.54047	0.8
311.22360	1.7
327.19763	2.9
329.17642	68.9
329.23184	4.4
330.18039	8.3
339.19925	0.9
343.19247	1.9
347.18710	100.0
348.19028	14.4
361.20337	2.2
371.18683	9.8
372.18951	2.1
383.18680	1.8
389.19672	4.1
401.19736	7.1
443.20679	2.6
445.20917	3.0
446.20679	0.7
473.27722	1.9
491.12064	1.7
491.21930	4.4
491.28708	44.0
492.22833	0.9
492.29150	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	491.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96329	0.2
55.01770	0.9
57.03082	0.3
57.03339	3.5
58.00468	0.4
59.01267	16.5
60.01583	0.3
61.98719	0.2
66.20866	0.2
67.01769	0.4
68.99691	0.6
69.03345	0.8
69.27991	2.0
69.28415	0.5
71.01271	18.6
72.01609	0.5
72.99202	3.4
73.02849	1.5
75.00766	22.0
76.01105	0.3
81.03340	0.3
83.01270	1.8
84.02048	0.6
85.02844	23.6
86.03159	0.5
87.00775	6.5
89.02342	6.2
93.03358	1.3
95.01284	2.6
97.02856	0.7
99.00784	6.7
99.04414	0.3
101.02345	5.1
103.00245	0.5
109.02866	0.3
111.00768	0.6
111.04429	0.4
112.01547	0.5
113.02361	22.7
114.02661	0.5
115.00288	2.1
116.01074	0.2
117.01851	1.2
117.03350	0.5
119.03435	2.0
119.04919	1.9
121.02862	0.5
125.02357	0.7
129.01865	0.8
129.06253	0.2
131.03427	0.6
133.02853	0.3
135.04414	0.7
137.02344	0.6
139.00339	0.2
143.03442	0.2
145.02907	1.3
155.03433	0.6
157.01337	0.9
161.02402	0.8
161.04509	0.6
163.03976	1.7
173.04527	2.6
175.02441	2.5
179.03479	0.5
179.05476	0.3
179.81786	0.2
191.05602	2.9
211.07680	0.5
237.09021	0.2
269.17535	0.3
315.18011	0.3
319.08313	0.4
327.08786	0.5
337.09424	0.4
373.18735	0.3
390.38446	0.2
418.11115	0.4
429.21478	0.4
431.18732	0.4
473.20813	0.4
491.21460	100.0
492.21844	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	491.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.3
57.03341	7.5
58.00473	0.7
59.01267	24.1
60.36481	0.5
62.42007	0.4
67.01755	1.1
68.99717	0.8
69.03335	0.6
69.52511	4.4
71.01275	32.0
72.99206	5.2
73.02837	3.0
75.00766	33.2
76.01125	0.5
76.45824	0.5
83.01284	3.0
84.02090	0.6
85.02847	39.5
86.03161	0.8
87.00775	10.1
89.02346	8.2
93.03390	1.0
95.01291	3.8
97.02878	1.3
98.19827	1.1
99.00796	11.2
101.02355	6.6
103.00269	1.4
111.00785	0.7
111.17822	0.5
112.01610	1.3
113.02362	30.6
114.02690	0.7
115.00301	3.5
116.01076	0.9
117.01837	1.4
119.03439	2.7
119.38010	0.6
129.01863	1.4
131.03418	1.2
145.02950	0.6
157.01410	1.1
173.04584	2.5
175.02426	3.2
191.05632	2.0
202.02255	0.5
249.36520	0.5
373.18726	0.8
491.21481	100.0
492.21841	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2147
Annotation	N-Ac-Tyr-Val-Ala-Asp-CHO
Peak:m/z	Relative Intensity
55.01772	1.2
56.41588	0.2
57.03341	2.4
58.94289	0.2
59.01268	15.7
60.01579	0.3
67.01777	0.3
68.99705	0.3
69.03355	0.5
69.60664	0.9
69.61093	1.0
71.01271	13.7
72.01617	0.4
72.98893	0.2
72.99209	2.4
73.02843	3.1
75.00765	18.9
76.01107	0.3
83.01276	1.8
85.02843	19.7
86.03152	0.4
87.00777	4.7
89.02343	2.1
93.03373	0.5
95.01274	2.6
97.02847	0.8
99.00778	6.9
99.21869	0.2
101.02357	6.0
103.00282	0.3
111.00798	0.5
112.01581	0.4
113.02360	22.8
114.02699	0.5
115.00261	1.4
117.01833	1.1
120.20785	0.2
125.02382	0.5
129.01843	1.1
130.00484	0.3
131.03397	0.5
143.03447	0.4
143.21712	0.3
157.01360	0.7
159.02904	0.5
161.02356	0.4
161.04527	1.7
163.03928	0.4
173.04535	0.7
175.02432	1.9
191.05545	0.6
249.15123	0.5
279.28662	0.3
315.18265	1.0
327.08844	0.3
337.09891	0.3
343.17334	0.3
351.82111	0.3
370.64813	0.3
373.18863	0.5
400.73151	0.3
429.21454	0.3
431.19244	0.4
491.21451	100.0
492.21777	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	491.2147
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
55.01755	1.5
57.03337	5.3
58.00472	1.1
59.01266	24.2
64.24751	0.3
67.01778	0.6
68.99699	0.9
69.03336	0.8
69.30782	0.6
69.31195	2.9
71.01270	27.1
72.01576	0.6
72.99200	4.8
73.02832	1.8
75.00764	28.8
83.01283	2.2
84.02037	0.5
85.02846	34.2
86.03191	0.4
87.00774	9.0
89.02347	8.4
93.03334	0.4
95.01289	4.1
96.95881	0.4
97.02853	1.2
98.19854	0.9
99.00780	8.9
101.02346	6.5
103.00272	0.6
111.00788	1.2
112.01591	0.7
113.02361	28.9
114.02718	0.4
115.00292	2.5
116.01062	0.4
117.01855	2.0
119.03396	2.5
119.04930	0.3
119.90572	0.4
129.01846	0.9
131.03410	1.2
131.23346	0.4
157.01366	1.1
161.02374	0.7
173.04480	2.4
175.02478	3.2
179.05644	0.4
191.05539	1.3
191.07094	0.4
271.28775	0.4
314.93686	0.4
327.51773	0.4
347.18570	0.7
431.19092	0.4
473.20587	0.5
491.21463	100.0
492.21805	15.4
492.29099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.0
57.03341	4.8
58.00480	0.9
59.01266	23.7
60.99189	0.3
61.98712	0.4
67.01785	0.9
67.85905	0.2
68.99699	0.6
69.03343	1.0
69.31800	1.1
69.32228	0.6
71.01272	27.3
72.01611	0.6
72.99198	4.9
73.02837	2.7
75.00764	26.1
76.01100	0.3
81.03340	0.2
83.01278	2.7
83.04913	0.3
84.02073	0.7
85.02844	29.8
86.03185	0.7
87.00776	8.4
88.01115	0.3
89.02341	7.6
93.03363	2.9
95.01285	3.5
97.02866	0.9
99.00784	8.7
99.04422	0.4
100.01089	0.2
101.02351	6.4
102.98560	0.2
103.00268	0.7
108.02116	0.3
109.02851	0.4
109.06471	0.2
111.00775	1.0
111.04423	0.8
112.01571	0.7
113.02360	28.3
113.05960	0.3
114.02688	0.6
115.00284	2.4
115.60745	0.2
116.01067	0.5
117.01875	1.7
117.03387	0.9
118.98038	0.4
119.03423	2.0
119.04934	3.8
120.05187	0.2
121.02872	0.8
123.08063	0.3
125.02352	0.9
127.03944	0.4
127.07524	0.3
129.01865	0.8
131.03415	0.7
133.01318	0.2
133.02931	0.3
134.03648	0.3
134.10719	0.2
135.04459	1.2
137.02379	0.9
139.00322	0.4
141.01787	0.2
143.03404	0.6
145.02888	2.6
155.03429	0.8
157.01366	1.3
159.02975	0.2
161.02406	1.3
161.04495	0.7
163.03964	2.8
164.04416	0.3
170.44803	0.2
173.04523	4.9
175.02457	3.2
175.03929	0.3
179.03433	0.8
179.05565	0.3
181.05049	0.4
191.05582	5.4
192.05899	0.3
193.03471	0.2
193.05087	0.2
201.04065	0.2
203.03369	0.2
211.07651	0.8
227.03436	0.2
243.05104	0.2
262.85355	0.2
265.08878	0.3
269.17566	0.4
281.08615	0.2
283.10028	0.2
284.03421	0.2
308.06122	0.2
315.18073	0.2
319.08316	0.7
327.09003	0.8
337.09192	0.5
347.17596	0.3
373.18686	0.6
410.11288	0.4
418.10898	0.3
429.21353	0.5
431.18771	0.3
473.20734	0.4
491.21457	100.0
492.21796	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	491.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58960	0.5
54.98465	0.6
56.56994	0.6
57.08849	0.6
59.01264	30.8
59.62938	0.5
60.98894	1.0
60.99191	15.8
69.60022	4.8
70.53623	0.5
71.01291	1.6
73.02830	0.8
78.95792	1.3
83.01302	0.6
85.02837	1.0
88.98698	100.0
89.02356	0.6
89.99028	1.4
93.03358	1.3
94.75713	0.6
101.02364	1.3
109.02796	0.6
112.57941	0.7
115.03915	0.6
121.02879	0.8
125.95252	0.6
133.02849	0.8
135.04463	0.8
136.01590	1.2
152.91409	0.7
161.02391	1.4
179.03448	0.9
227.07155	9.6
393.20572	0.9
491.12256	0.7
491.19360	1.1
491.28824	3.3
492.31375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.0
56.07473	0.2
57.03342	4.0
58.00482	0.8
59.01266	45.9
60.01607	0.5
60.30053	0.2
61.98722	0.4
67.01790	0.8
68.99714	0.8
69.03337	1.1
70.51883	0.8
70.52280	0.2
70.96700	0.2
71.01273	21.9
71.04920	0.6
72.01611	0.6
72.99205	3.4
73.02839	26.1
74.03188	0.4
75.00764	11.1
79.05444	0.3
81.03356	0.9
83.01280	1.5
83.04949	0.6
85.02847	19.4
86.03191	0.3
87.00771	6.7
89.02342	8.9
91.03923	0.7
93.03366	5.5
95.01291	3.8
96.95925	0.5
97.02855	0.4
99.00781	7.7
99.04425	2.0
101.02354	4.7
103.00291	2.5
105.07007	1.8
107.04942	1.6
109.02892	0.6
111.00807	1.0
111.04444	1.0
112.01569	0.5
113.02363	25.1
114.02715	0.7
115.00301	2.1
117.01867	1.9
117.03336	0.3
119.03474	1.6
119.04955	4.0
121.02892	0.3
121.06509	2.0
123.08086	13.0
124.08450	0.3
125.02367	0.9
127.03964	0.4
129.01880	2.0
131.03444	0.8
131.04944	0.4
133.02898	0.5
135.04489	0.4
135.08080	0.9
137.02364	0.5
138.29903	0.2
141.01822	0.3
143.03496	0.6
143.04941	0.9
145.02904	0.7
149.02426	0.6
149.04558	0.8
149.06041	3.1
150.03183	0.3
155.03433	0.5
157.01389	1.0
159.02899	0.3
161.04533	2.4
161.05872	0.3
161.09668	0.5
163.03955	2.8
167.07118	4.6
173.04550	2.3
175.02434	2.0
179.03438	0.3
179.05621	1.9
179.10745	1.1
189.03992	0.3
191.05609	7.3
205.07181	0.6
207.05084	0.9
210.16902	0.2
211.07661	1.7
223.07791	0.5
223.09796	2.4
231.05168	0.9
237.09254	0.7
241.10838	5.0
242.11136	0.4
249.06197	12.9
250.06610	1.0
265.08826	0.9
265.12332	1.5
267.07275	38.1
268.07584	1.8
269.17667	0.7
283.09875	0.5
299.11188	0.5
315.14542	3.7
316.14880	0.3
319.08340	0.8
327.08795	4.9
337.09393	0.7
357.09857	0.3
357.14633	0.5
403.15503	0.3
405.10895	0.4
417.14139	7.0
418.14246	0.5
429.17911	2.3
431.15750	1.3
431.22910	5.6
432.16199	0.4
432.22699	0.6
473.16672	1.7
474.17084	0.3
483.12875	0.3
491.17813	100.0
492.18259	13.0
501.14163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87309	0.6
52.13490	0.7
53.61296	0.6
53.99190	0.7
59.01265	100.0
59.35968	0.6
60.01590	1.0
63.62042	0.7
68.02517	0.7
69.61839	3.4
69.62267	1.8
78.95816	0.7
83.52254	0.8
91.03902	1.1
98.20508	1.4
117.07453	0.7
204.36334	0.7
215.09724	0.8
279.23444	0.7
293.27863	0.7
355.32303	2.2
500.99426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46180	0.1
59.00993	0.2
59.01264	2.6
69.03333	0.5
69.50717	0.9
71.01278	0.6
73.02834	0.2
77.03857	0.2
81.03381	0.2
83.01251	0.1
85.02844	0.3
87.00784	0.1
89.03859	0.3
91.05411	0.2
93.03317	0.2
95.01273	0.3
97.02853	1.8
100.90437	0.1
105.03347	0.7
107.04955	0.5
107.35217	0.1
109.02859	0.3
113.02359	0.3
113.58340	0.1
115.01820	0.3
117.03375	0.7
121.02903	0.2
125.02367	3.9
130.71634	0.1
132.02083	2.2
133.02879	40.0
134.03603	2.1
135.04445	38.9
136.04771	2.0
137.02362	0.7
139.03946	0.3
149.06042	0.3
159.04485	0.3
160.01585	0.2
161.02385	100.0
162.02722	5.1
163.03949	0.2
165.04118	0.1
173.06068	0.2
175.03967	0.4
177.05428	0.2
178.02655	0.3
179.03456	25.8
180.03778	1.5
189.05615	0.2
190.84035	0.1
201.05537	0.2
203.03525	0.8
209.35709	0.1
215.07039	0.1
233.04643	0.2
247.06216	0.1
264.07874	0.1
305.06711	0.3
306.05994	0.1
323.07693	0.3
365.08820	27.0
366.09152	2.5
449.10913	0.3
491.12048	49.6
492.12375	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	491.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.2
58.00469	0.1
59.01264	3.8
68.99746	0.1
69.03343	0.5
69.85528	0.2
69.85942	0.2
70.03667	0.1
71.01266	1.5
72.99195	0.1
73.02840	0.6
75.00764	0.1
77.03864	0.2
81.03368	0.2
83.01279	0.4
85.02833	0.6
87.00797	0.1
89.02348	0.3
89.03871	0.3
91.05440	0.1
93.03352	0.9
95.01292	0.2
95.04915	0.2
97.02854	1.8
98.19852	0.1
99.00778	0.2
99.04437	0.3
99.25623	0.1
101.02348	1.1
103.03930	0.1
104.02623	0.1
105.03364	0.6
106.04157	0.1
107.04948	0.6
108.02060	0.1
109.02858	0.5
110.50735	0.1
111.00806	0.1
113.02381	0.6
114.76547	0.1
115.01803	0.2
117.03391	0.7
119.03378	0.1
119.04933	0.1
121.02873	0.3
123.04449	0.3
125.02367	4.8
126.02684	0.1
132.02100	2.1
133.02884	37.6
134.03586	2.0
135.04448	39.9
136.04782	2.0
137.02377	1.4
139.03946	0.2
141.63707	0.1
143.03444	0.1
145.02899	0.1
147.04503	0.1
148.05185	0.1
149.05980	0.1
150.03160	0.1
151.03995	0.1
159.02980	0.1
159.04471	0.4
160.01595	0.2
161.02391	100.0
162.02725	4.9
163.03900	0.1
173.06053	0.2
175.03955	0.3
176.04706	0.1
177.01779	0.1
177.05507	0.2
178.02675	0.3
179.03459	24.8
180.03801	1.4
188.79517	0.1
189.05531	0.3
191.05569	0.4
194.05879	0.2
201.02032	0.1
201.05544	0.2
203.03554	0.8
209.08215	0.3
215.03452	0.2
221.04546	0.1
227.12910	0.3
227.88159	0.1
242.92801	0.1
247.06165	0.2
263.05630	0.1
267.07187	0.1
281.06760	0.5
305.06671	0.2
323.07794	0.2
329.16074	0.3
353.08841	0.1
365.08835	20.1
366.04584	0.1
366.09210	1.9
431.09985	0.1
434.13327	0.1
449.10858	0.3
491.12012	34.6
492.12369	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	489.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03335	1.3
58.00500	0.8
59.01266	26.1
67.01772	0.5
69.03340	1.0
71.01273	13.3
71.58130	0.6
72.99202	0.9
73.02834	4.0
76.33598	0.4
83.01296	1.7
83.04927	0.8
85.02845	5.6
87.00777	1.7
88.98731	0.5
89.02342	5.5
93.03378	1.0
95.01289	1.0
95.04942	0.7
97.02857	1.1
97.06500	1.6
99.00765	2.0
99.04440	2.1
101.02347	7.3
109.02853	0.6
111.04440	0.6
113.02359	5.3
119.03412	1.3
119.04896	0.5
121.02842	0.7
124.01698	0.4
125.02383	0.5
125.09663	1.5
127.11213	2.1
129.01826	0.6
133.02901	2.5
135.04404	2.0
137.02353	0.5
137.09688	0.6
141.09134	0.5
145.02890	1.3
155.10744	5.6
155.14380	0.6
156.17720	0.5
159.02972	0.7
161.02386	4.8
161.04433	2.2
162.02879	0.5
163.04033	1.0
164.08379	0.5
165.09071	0.4
165.12811	1.5
167.14325	0.7
171.10229	9.5
173.04533	0.8
175.03957	0.9
177.12950	0.4
179.03496	1.2
179.10756	0.5
183.13855	1.5
185.11792	0.9
191.05548	2.6
195.06499	0.5
197.11877	1.2
201.02013	0.5
209.11871	1.7
211.13387	10.7
212.13727	1.1
213.14955	0.5
221.11862	1.0
223.13411	0.6
227.13008	0.6
229.14450	28.8
230.14919	1.7
231.13197	0.4
239.12872	0.6
247.20674	0.7
257.14053	0.8
273.18747	0.6
291.19693	5.4
292.20221	1.0
299.02011	0.7
309.20743	5.2
311.22498	1.4
315.18225	1.2
327.21823	8.6
327.25406	0.7
328.22302	1.0
391.19888	2.5
429.25732	0.5
445.18762	0.6
447.22342	3.5
486.01144	0.4
489.27277	100.0
490.27585	17.2
503.85336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01606	1.0
61.98701	0.5
64.52428	0.4
67.01801	0.3
69.03344	9.3
71.01277	0.4
71.58415	0.5
71.58835	0.3
83.04928	0.5
85.02871	0.7
97.02835	1.9
99.04462	0.6
113.02354	15.7
114.02748	0.4
123.08086	0.7
130.10802	0.3
133.02937	0.4
134.03714	0.5
135.04475	0.5
137.02415	0.4
163.11246	0.8
179.03433	0.4
188.15721	0.3
189.09254	0.9
191.05614	0.5
236.72368	0.3
271.02716	0.3
299.01917	0.4
300.02936	0.4
315.19833	1.5
333.20776	16.7
334.21191	2.1
429.22955	6.0
430.23553	0.8
431.37631	0.4
445.22424	0.5
471.23917	0.4
489.24905	3.0
489.31195	0.4
490.25922	0.5
504.27060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01615	1.1
67.01778	0.5
69.03342	3.7
69.61324	0.5
70.63085	1.5
70.63448	0.5
71.01276	2.0
71.04916	0.5
78.95792	6.8
83.04888	0.6
85.02848	8.0
86.03170	0.5
87.00809	0.6
89.02296	0.4
90.57969	0.4
93.03365	2.5
97.02853	10.5
97.06466	0.6
99.04439	2.1
101.02391	0.6
109.06547	0.5
113.02364	5.9
115.03922	2.7
121.06538	1.6
124.01611	0.6
133.02893	1.0
134.03697	0.9
135.04468	6.0
138.49345	0.4
149.78314	0.5
151.04002	0.6
152.99516	0.9
160.01640	1.6
161.02385	1.1
161.04553	0.5
165.09207	1.1
171.00589	1.0
171.10243	2.4
173.04553	0.9
175.04010	1.6
179.03496	1.3
183.70221	0.5
188.79628	0.5
189.09189	0.6
191.05623	2.1
191.10837	1.3
195.60675	0.4
201.16473	0.7
207.10367	0.5
209.11952	0.8
275.20352	0.7
284.18018	0.8
285.18805	1.3
289.22009	0.9
293.21375	2.0
297.11624	0.5
298.01190	0.8
308.09189	0.7
315.12204	0.5
315.19699	14.2
316.20190	1.2
333.20776	24.2
334.21024	2.8
352.08026	0.9
359.98358	0.5
385.24295	0.9
429.22968	8.9
430.23383	1.3
445.26089	2.1
489.21613	1.4
490.25778	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	489.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.9
57.03333	3.2
58.00469	2.1
59.01266	55.5
60.01601	0.7
61.98695	0.5
69.03343	1.0
70.98667	1.0
71.01270	53.5
72.01611	0.9
72.99202	3.0
73.02845	3.1
75.00759	0.9
78.95761	0.5
83.01268	1.7
85.02848	6.3
87.00787	3.3
89.02341	42.0
90.02652	0.9
93.03352	3.4
95.01290	1.4
96.95917	0.5
97.02837	1.4
97.06496	1.1
97.19752	0.4
99.00793	0.6
99.04414	4.1
101.02350	8.7
111.00762	0.9
111.04478	1.1
113.02354	10.2
115.03857	0.7
115.80199	0.4
116.92786	0.9
118.39944	0.5
119.03412	2.0
119.04929	1.3
121.02882	0.6
125.02369	1.1
131.03407	1.2
133.02879	1.7
134.03612	0.7
135.04442	1.9
137.02330	0.6
143.03403	2.0
145.02870	0.9
149.04532	0.7
161.02452	2.2
161.04501	1.9
163.03964	0.7
163.11227	0.7
165.04004	0.7
165.12790	1.7
171.10239	2.7
173.04497	2.2
173.06154	0.6
175.03990	0.5
177.01825	0.5
179.03444	1.3
179.05528	2.6
183.13902	1.1
191.05592	10.0
192.05925	0.7
193.61641	0.5
209.11798	1.1
211.13397	4.7
221.11897	1.1
227.03345	0.6
229.14415	3.5
247.20766	1.2
271.02472	1.2
291.19711	10.7
291.22702	0.9
292.20013	1.0
299.01959	0.9
309.20776	9.4
310.21048	0.8
327.21854	21.4
328.22275	2.4
333.05865	0.5
485.90430	0.5
489.27164	100.0
490.27490	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	489.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.1
59.01265	100.0
59.68529	0.1
60.01595	1.1
64.76770	0.1
71.01274	1.1
71.57138	0.2
73.02845	0.4
75.00763	0.4
78.95822	0.1
83.01277	0.1
85.02850	0.6
87.00793	0.2
87.04404	0.2
89.02351	0.5
93.03362	0.2
96.95940	0.3
101.02350	0.6
113.02361	0.6
117.03362	0.1
119.03403	0.3
119.66354	0.1
129.01846	0.2
133.02872	0.3
135.04462	0.3
145.02867	0.2
147.04410	0.2
161.02444	0.6
161.04437	0.3
165.04002	1.1
173.04510	0.2
175.03983	0.1
179.03430	0.4
179.05603	0.2
182.20378	0.1
191.05609	1.3
192.05922	0.1
195.06633	0.2
201.01971	0.2
207.57883	0.1
267.07037	0.2
269.00958	0.2
305.35944	0.2
323.05753	0.2
327.07217	0.4
369.19043	0.3
387.20203	0.6
429.21356	1.2
430.21301	0.2
440.77008	0.2
489.10709	0.2
489.23401	0.8
489.30392	6.3
490.23560	0.3
490.30679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07231	0.2
54.35480	0.2
59.01266	100.0
60.01603	1.4
60.01869	0.2
60.60003	0.2
64.12621	0.2
69.02415	0.2
69.20851	0.2
71.01276	0.7
71.53851	0.5
73.02843	0.5
83.01324	0.3
85.02852	0.3
89.02349	0.4
93.03363	0.5
101.02361	0.6
113.02389	0.3
119.03397	0.3
122.16373	0.2
159.90337	0.3
191.05685	0.9
314.17484	0.2
380.94992	0.2
429.21628	0.4
489.23862	0.4
505.50467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38989	0.2
55.01766	1.5
57.03339	1.4
58.00477	0.4
59.01266	100.0
60.01596	1.0
69.03349	0.8
71.01273	10.1
71.57464	0.3
72.01612	0.4
72.99190	1.0
73.02852	2.4
75.00763	1.5
77.34523	0.2
81.03360	0.5
83.01286	1.2
83.04914	0.7
85.02847	6.5
86.03201	0.2
87.00774	8.7
89.02341	7.5
93.03349	0.9
95.01304	0.7
95.04909	0.5
97.02863	0.9
97.06513	0.4
99.00777	2.5
99.04408	1.0
101.02347	6.3
101.03011	0.3
102.90402	0.2
106.99982	0.2
107.04955	0.4
108.02074	0.5
109.02885	0.4
110.03598	0.2
111.00808	0.5
111.04468	0.6
112.01543	0.2
113.02362	7.3
114.02710	0.3
115.03929	0.3
119.03403	2.3
121.02853	0.3
123.04436	2.4
125.02379	2.3
125.06006	1.7
129.01898	1.0
131.03430	2.9
132.02109	0.6
133.02911	0.7
134.03677	0.6
135.04520	1.0
137.02408	0.5
139.03943	0.9
141.05505	1.6
143.03458	1.5
145.02847	0.3
149.04492	1.4
151.03998	0.5
153.05522	0.8
155.03462	0.3
159.02933	0.3
160.01634	1.5
161.02319	1.1
161.04451	1.1
162.02316	0.3
165.04007	4.7
167.03502	0.2
169.05020	1.0
173.04523	1.4
175.03972	1.8
176.04344	0.8
177.04547	0.5
179.03506	0.7
179.05646	0.7
188.04491	0.2
191.05566	1.6
193.05104	0.4
194.05412	0.3
197.04625	0.5
203.05585	0.4
205.07114	0.3
215.05600	0.5
219.05467	0.2
233.06700	3.8
234.07063	0.4
271.13699	0.2
275.07950	0.2
299.02100	0.4
315.18283	1.0
327.07230	1.5
327.21985	0.5
328.08041	0.2
345.19312	0.3
357.19028	0.2
411.20413	0.3
429.15344	0.3
429.21375	7.8
430.21649	1.1
447.22437	13.2
448.22845	1.8
489.10162	0.3
489.16928	1.7
489.23700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01603	1.2
61.62335	0.3
69.89690	1.7
71.01279	1.1
72.99234	0.3
73.02834	0.4
78.95797	12.0
85.02869	1.4
87.00800	0.4
89.02351	0.3
93.03363	1.4
96.96864	10.5
101.02353	0.8
113.02364	0.5
113.47228	0.3
119.04971	0.5
161.02359	0.5
161.04504	0.6
163.03969	0.6
173.04597	0.7
175.03899	0.4
180.33629	0.3
191.05582	3.1
201.04037	0.4
227.03473	0.3
227.06886	0.4
233.09506	12.3
234.09904	0.9
238.56084	0.3
251.79500	0.3
255.03096	0.7
261.05600	0.5
265.08875	0.3
284.03357	1.5
285.04068	0.7
304.73563	0.3
327.08981	0.6
384.94644	0.3
387.20392	0.6
429.21524	1.0
489.10757	1.2
489.18124	2.8
489.23920	0.4
490.18369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66638	0.2
55.01772	3.7
56.31585	0.1
57.03345	0.5
58.00471	0.4
59.01266	100.0
59.14200	0.2
60.01608	1.3
67.01787	0.2
68.99700	0.3
69.03338	0.8
69.55547	1.4
71.01273	8.8
72.99182	1.1
73.02831	2.5
73.21464	0.2
75.00770	0.4
81.03367	0.4
83.01277	1.2
83.04927	0.6
85.02846	7.5
87.00773	4.9
89.02338	8.0
93.03382	0.4
95.01306	0.6
95.04916	0.3
97.02892	0.9
97.06487	0.2
99.00780	2.5
99.04372	0.2
101.02348	7.7
107.04969	0.3
108.02097	0.3
111.04394	0.4
113.02354	5.0
114.02658	0.2
115.03906	0.2
119.03443	1.1
119.04972	0.3
123.04440	1.2
125.02377	1.9
125.06004	0.8
127.03913	0.2
127.07597	0.2
128.99600	0.2
129.01900	0.8
131.03429	5.0
135.04482	0.2
137.02382	0.3
139.03976	0.7
141.05551	1.0
143.03479	0.8
145.98724	0.2
149.04504	3.2
153.05536	0.3
155.03500	0.2
161.04504	0.6
163.03986	0.5
169.04961	0.8
173.04523	1.8
179.05687	0.2
181.12357	0.2
191.05602	1.3
197.04579	0.2
203.05676	0.9
205.07211	0.2
233.06686	4.1
239.16617	0.4
249.06310	0.3
251.07796	0.4
263.08060	0.2
275.07773	0.3
275.65421	0.2
278.62289	0.2
292.79840	0.2
294.36450	0.2
325.24921	0.2
370.21561	0.2
411.20447	0.3
429.21356	5.5
430.21957	0.8
447.22394	5.5
447.28006	0.3
448.23013	0.7
489.22855	1.3
514.66443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71821	0.2
59.01266	100.0
60.01594	1.1
61.29793	0.2
71.01263	1.7
72.99224	0.2
73.02853	0.3
75.00770	0.2
85.02864	0.6
88.98691	0.2
89.02359	0.9
99.04441	0.4
101.02362	1.0
111.00835	0.2
113.02377	0.6
125.02444	0.3
130.37807	0.2
131.03456	0.4
133.02879	0.3
135.04433	0.2
137.91116	0.2
145.02888	0.3
149.04578	0.2
159.02892	0.2
161.04527	0.4
191.05638	0.3
209.11916	0.2
229.67645	0.2
275.07861	0.2
291.19684	0.3
309.20831	0.4
315.18243	0.2
447.22455	0.6
489.27298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
57.03346	3.2
57.51674	0.3
58.00467	0.4
59.01266	16.8
67.01771	2.2
68.31297	0.3
68.99706	3.0
69.03342	2.2
70.35747	0.9
71.01270	19.6
72.01616	0.3
72.99213	0.8
73.02838	4.3
75.00744	0.4
80.02586	1.8
81.03350	1.0
82.57474	0.3
83.01272	2.3
83.04916	0.9
85.02846	24.1
85.99981	0.5
86.03207	0.5
87.00229	0.4
87.00773	9.1
89.02335	1.9
90.03838	0.3
91.03914	1.7
91.56684	0.3
93.03352	1.7
93.07016	0.5
95.01283	4.1
95.04930	12.8
96.05290	0.3
97.02852	0.7
99.00796	0.8
99.04421	0.9
100.01560	0.5
101.02364	1.4
103.00291	1.3
107.04962	2.4
107.08555	1.2
108.21928	0.2
109.02837	0.4
109.06483	1.8
111.00809	2.9
111.04432	0.5
112.01566	1.3
113.02361	31.4
114.02677	0.7
115.00285	0.9
119.04896	0.3
120.05717	1.1
121.02882	0.3
121.06513	2.5
121.10129	0.4
127.03911	1.0
129.01852	3.1
133.06528	0.4
134.07373	0.3
135.08093	0.4
139.00325	1.7
145.02890	0.3
145.10167	1.0
147.08118	0.5
148.08865	0.3
157.01392	2.7
161.02379	0.4
161.04515	0.3
161.09665	1.5
163.11237	23.1
164.11575	1.8
169.05038	0.4
173.04576	0.3
179.03387	0.3
181.12306	11.2
182.12682	0.8
187.05934	0.3
189.04004	1.4
191.05608	1.0
205.07147	2.9
207.10233	4.2
225.11333	46.6
226.11653	3.5
231.05064	0.9
237.09929	0.3
249.06203	6.2
250.06578	0.4
253.43045	0.3
263.07794	9.5
264.08014	0.4
281.08838	31.4
282.09109	1.4
299.15076	10.8
300.15408	1.1
309.20496	0.4
413.18210	4.0
414.18698	0.8
457.17294	8.5
458.17416	1.3
471.18893	0.5
489.19904	100.0
490.20218	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	489.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.5
55.82494	0.6
57.03341	4.3
57.99922	0.7
58.00470	0.7
59.01270	23.0
67.01776	2.8
68.99709	1.7
69.03346	2.4
69.30640	4.0
69.31070	3.1
70.69441	0.6
71.01273	28.5
72.99191	2.9
73.02840	7.4
75.00768	2.0
80.02580	1.5
81.03358	0.9
83.01269	3.2
83.04910	1.2
85.02847	31.7
86.03152	0.8
87.00771	11.9
89.02339	2.6
89.10178	0.7
91.03922	1.2
93.03373	4.3
95.01283	6.6
95.04930	10.2
97.02880	1.0
98.19827	1.4
99.00790	2.0
99.04422	1.9
100.16570	0.7
101.02346	4.6
102.98528	0.6
103.00268	2.0
107.04955	1.6
109.02895	1.2
109.06481	1.7
111.00787	4.6
111.04408	0.7
112.01630	1.3
113.02360	43.2
114.02644	1.2
115.00309	1.4
118.98032	0.8
119.03381	0.9
119.04950	0.8
121.06510	1.3
129.01865	4.3
134.03633	0.9
137.02353	1.0
139.00325	1.9
145.02910	1.2
157.01346	3.4
161.02443	0.7
161.09666	1.0
163.04042	1.6
163.11240	16.1
164.11551	1.1
173.04492	3.2
179.03465	0.8
181.12329	18.0
182.12637	1.3
189.04044	1.7
191.05609	6.5
193.05106	0.8
205.07224	3.7
207.10223	2.6
225.11333	30.7
226.11725	2.4
230.09213	0.7
249.06226	7.8
263.07794	4.5
267.07379	3.3
281.08859	42.4
282.09052	3.3
299.15067	9.6
300.15686	0.8
337.09433	1.0
407.84155	0.9
413.18246	4.4
427.28503	0.7
427.48553	0.7
457.17270	10.1
458.17612	0.9
489.19943	100.0
489.26566	4.8
490.20300	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	489.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91544	0.6
55.01766	1.2
57.03336	11.4
58.00480	0.8
59.01262	34.9
61.98714	1.1
67.01768	0.8
68.99719	0.7
69.03331	1.2
69.69741	4.5
71.01269	26.1
72.99197	4.2
73.02827	6.9
75.00761	19.9
75.01192	0.9
76.01066	0.6
77.95596	0.6
78.95822	3.6
83.01279	3.6
85.02841	27.7
87.00768	6.5
89.02333	6.8
93.03356	3.3
95.01269	2.2
95.04924	0.6
96.96856	2.9
97.02850	1.0
98.20522	1.2
99.00233	1.0
99.00778	8.0
99.04394	3.8
101.02345	12.3
103.00318	0.7
109.02827	1.2
111.00712	0.7
113.02353	25.5
114.02672	0.7
115.00296	1.8
117.01790	1.1
117.03344	0.8
119.03418	2.3
119.04926	1.4
121.10146	4.1
123.04429	2.5
125.02335	1.6
129.01852	1.6
131.03453	1.0
133.02847	2.6
134.03571	1.0
135.04427	2.9
137.02350	1.3
143.03406	1.1
145.02882	2.3
149.04520	0.9
149.05939	0.8
151.00293	1.0
153.01817	1.2
161.02405	4.3
161.04480	2.7
163.03905	1.5
165.04025	1.8
173.02237	1.0
173.04539	3.3
175.02417	2.5
175.03932	1.6
177.01900	0.9
179.03412	1.4
191.05583	12.8
192.05894	1.6
193.03574	1.1
201.01907	1.9
216.47104	0.6
227.03508	2.6
229.05099	1.3
233.09491	2.0
255.03076	7.3
257.04446	0.8
261.05429	0.8
284.03329	7.6
285.04056	10.8
286.04517	1.2
298.76529	0.7
299.01730	0.8
300.02689	0.8
345.15588	10.5
387.16641	4.4
399.10178	1.3
427.19925	1.3
431.13382	1.1
489.11093	5.0
489.19867	100.0
490.10172	1.1
490.20319	12.6
490.26840	0.5
506.46323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	7.2
61.54049	1.4
61.98722	16.1
63.40800	1.4
63.66170	1.4
71.01270	4.5
73.02826	2.1
77.37634	1.4
81.61729	1.5
89.02347	2.1
93.03394	2.1
101.02352	4.3
105.81149	1.6
117.03356	1.6
119.04945	2.3
123.04458	1.7
124.08071	1.6
133.02782	2.1
134.03676	54.0
135.04031	2.3
137.02385	2.1
140.03276	1.3
149.06035	18.6
150.06433	1.7
150.24823	1.6
151.03990	3.8
151.06082	5.2
152.01086	4.3
158.83096	1.6
160.01617	10.2
160.50760	1.5
165.04002	2.3
175.03975	18.8
175.71455	1.6
176.04318	1.9
177.01868	1.9
178.02692	16.5
179.28314	1.8
191.05539	4.5
193.05042	100.0
194.05353	7.3
195.06535	2.7
288.29568	1.7
327.07126	3.1
327.10947	45.3
328.11197	4.7
330.92462	1.9
355.10193	7.3
356.10828	1.7
403.29385	1.7
489.15646	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1625
Annotation	6'-O-beta-Apiofuranosylsweroside
Peak:m/z	Relative Intensity
51.90917	0.4
52.21839	0.5
59.01264	19.7
69.58151	1.1
69.58557	3.0
71.01269	6.2
72.99210	0.8
73.02841	2.5
75.04606	0.6
76.66537	0.5
83.01265	0.8
85.02864	1.5
87.00748	0.6
89.02346	1.7
89.30068	0.4
93.03367	0.9
94.62876	0.4
96.95891	1.0
99.00778	6.4
101.02337	2.7
103.60952	0.4
103.85372	0.5
108.02107	1.3
113.02345	1.7
119.04935	2.6
121.02864	0.9
122.03606	0.5
123.04442	3.7
124.01561	0.9
125.02357	0.8
134.03630	1.0
135.04451	8.1
136.05232	8.5
146.17262	0.5
150.03156	0.8
151.03931	5.5
151.07578	3.4
161.04486	0.8
167.55569	0.6
173.04527	0.7
177.05608	0.8
181.04974	1.0
191.05589	7.0
195.06601	74.3
196.06931	4.3
227.18474	0.5
237.07698	1.8
243.24875	0.5
337.09418	1.5
339.10818	0.7
348.68985	0.5
357.12021	1.4
374.95181	0.5
489.16245	100.0
490.16626	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	489.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.8
59.01266	15.8
59.47065	0.7
66.89256	0.8
67.01401	0.7
69.55724	2.7
69.56165	3.4
71.01272	90.7
71.04887	1.1
72.01628	1.7
72.99198	23.9
73.02836	1.0
85.02834	2.1
87.00774	25.3
89.02338	8.1
89.38717	0.7
90.10480	0.7
95.01252	1.2
99.00749	1.0
101.02355	5.2
102.05507	1.9
113.02374	3.3
113.48009	0.8
115.00295	27.8
119.03441	3.9
128.03496	1.0
129.01863	8.5
133.01367	2.0
134.03619	1.1
145.06082	1.9
146.04558	3.9
147.02933	100.0
147.06570	13.0
148.03282	2.4
161.04556	0.9
179.05542	5.1
191.05566	7.2
193.04982	0.7
195.06532	1.1
253.81255	0.8
257.74457	0.9
300.23975	0.8
341.10977	33.8
342.11298	2.0
416.04263	0.9
489.14676	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	489.1412
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
57.03341	0.6
59.01264	13.2
61.98724	0.8
69.03343	0.4
71.01267	5.7
71.60371	0.6
72.99195	0.6
73.02847	1.5
74.02350	0.6
75.00768	1.0
78.95795	5.3
82.51249	0.3
83.01293	0.3
84.83408	0.3
85.02850	2.7
86.21638	0.4
87.00763	1.1
89.02338	0.7
93.03374	3.2
95.01300	0.4
96.04416	0.4
96.95917	0.7
96.96867	4.8
97.03974	0.4
99.00790	0.4
99.05544	0.5
101.02349	2.7
101.02916	0.4
107.01388	0.4
108.02070	3.6
108.04435	0.4
109.02865	32.0
110.03192	1.1
111.00848	0.4
112.03957	0.4
113.02366	1.5
115.00298	4.5
117.03360	0.4
117.07030	5.4
119.04951	1.6
121.02882	2.7
122.03664	8.4
123.04499	0.5
124.01579	1.1
125.02364	0.5
129.01910	0.4
133.02875	0.8
134.03633	0.6
135.04454	4.1
137.02379	4.5
140.07085	0.7
145.02885	1.4
146.03645	0.6
146.84738	0.4
147.04480	0.9
148.05257	1.0
154.02652	1.5
155.08194	0.9
157.40070	0.3
160.01575	0.3
161.02449	0.7
161.04515	0.9
161.05893	0.4
163.04002	2.3
164.05772	0.3
165.03960	1.6
165.05267	0.4
165.06728	0.8
173.04527	2.3
175.03961	0.5
179.03452	1.8
183.07774	1.3
189.02023	1.0
191.05586	4.3
192.05965	0.4
210.06915	0.5
211.07643	37.7
212.08002	4.1
219.08063	0.7
221.09665	1.9
223.07628	2.2
224.08374	1.2
227.03499	0.8
227.06779	3.0
233.09518	3.3
237.09221	2.1
238.09900	0.7
239.10800	100.0
240.11130	10.2
250.06535	0.4
253.08733	0.5
255.03029	1.1
261.05563	6.5
265.08719	1.2
267.06882	0.6
283.09827	23.1
284.03323	1.4
284.10034	2.4
285.04169	1.7
297.13589	0.9
327.08829	5.4
328.09021	0.5
345.15704	0.9
351.07330	0.7
373.13202	1.8
429.17453	3.3
445.14935	0.8
459.44531	0.4
489.14145	66.2
490.14462	11.3
490.21497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1049
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.24261	0.3
54.95448	0.2
55.34170	0.3
59.01267	14.7
61.51983	0.3
62.38039	0.3
63.02284	0.5
65.00225	0.5
72.99191	0.3
78.95802	2.3
83.01305	0.7
85.02829	0.5
89.02351	0.4
93.03350	1.7
96.95921	0.5
96.96878	1.9
101.02343	0.7
107.01313	2.1
109.02860	0.8
113.02389	0.3
117.03415	0.6
121.10249	0.3
123.00786	0.3
131.04938	0.5
132.02110	1.4
135.00793	2.0
135.04478	0.3
137.02362	0.4
143.04977	1.0
145.02940	0.3
151.00279	1.9
152.01079	0.5
153.01898	0.3
157.06514	0.7
159.04463	1.0
161.02441	0.5
163.00314	2.2
164.01103	0.7
167.04948	0.5
169.06529	0.5
171.04507	1.1
173.05966	0.5
182.03738	0.3
183.04526	1.1
185.02432	0.4
185.06081	1.6
187.03964	3.3
189.05556	1.0
190.99869	0.5
191.05605	1.2
192.61398	0.3
195.04536	0.8
196.05249	0.5
197.06099	1.1
199.04036	1.4
200.04662	0.4
201.05632	0.5
211.03984	3.0
212.04562	0.3
213.01884	0.5
213.05569	1.5
220.65887	0.3
227.03514	36.6
228.03906	3.2
229.05067	10.5
233.09476	1.6
239.03523	2.0
240.04202	1.0
241.05084	1.3
243.03035	0.4
255.03036	73.6
256.03543	8.2
257.04587	6.0
267.03067	1.0
283.02496	0.8
284.03333	83.7
285.04086	100.0
286.04456	8.5
327.05212	0.9
489.10486	45.2
490.10831	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	489.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.0
59.01259	1.5
70.13245	0.7
71.01260	1.1
72.99198	0.6
73.02846	0.1
75.00765	29.4
76.01124	0.3
76.23003	0.1
78.95783	0.8
85.02847	0.5
87.00809	0.2
89.02331	0.7
89.03885	0.1
96.96842	0.7
98.19923	0.2
101.02348	0.5
107.04921	0.4
109.02845	0.8
113.02407	0.2
117.01839	0.7
117.03381	0.2
122.03664	0.2
124.05846	0.1
129.01871	7.1
130.02254	0.2
133.02875	1.7
134.03697	1.3
135.04454	16.3
136.04791	0.9
147.02937	1.8
147.04303	0.3
161.02403	4.2
162.02699	0.3
165.04001	100.0
165.28046	0.2
166.04335	2.9
175.03951	0.4
179.03465	11.2
180.03804	0.8
191.05577	0.5
201.01912	0.7
211.07617	0.3
233.09438	0.5
237.09207	0.2
239.10831	1.7
283.09799	0.3
309.06216	2.5
310.06567	0.2
327.07288	34.6
328.07642	2.9
447.20142	0.2
489.10535	0.9
489.14975	0.5
490.10699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3445
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.54987	0.3
59.01266	2.5
59.61516	0.3
60.99205	2.5
61.98721	0.6
70.50613	0.8
70.51001	0.5
71.01276	0.3
78.38992	0.3
78.85060	0.3
83.57256	0.4
85.02854	0.3
97.78716	0.3
122.28770	0.3
161.34468	0.3
175.75090	0.3
346.98920	0.4
356.76120	0.4
377.28915	0.4
391.30139	0.6
393.31793	2.1
394.32098	0.4
405.31824	1.0
425.30679	0.9
448.80380	0.3
469.33621	0.4
487.34421	100.0
488.34760	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	488.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42904	0.5
59.01262	3.0
61.98719	100.0
69.28065	6.1
72.91039	0.6
75.30696	0.5
78.95810	1.8
87.22739	0.5
109.99894	0.5
125.77925	0.6
191.05647	2.5
244.59558	0.5
294.21521	0.6
335.18250	0.6
467.07727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13742	0.2
55.01769	2.0
59.01264	1.8
62.29415	0.1
71.01254	1.1
72.99198	0.6
73.02839	0.2
75.00761	27.5
76.01103	0.2
78.95809	0.7
85.02859	0.6
89.02328	0.8
93.03338	0.2
96.95908	0.1
96.96857	0.5
98.20596	0.5
101.02345	0.5
107.04934	0.3
109.02883	0.7
115.00283	0.2
117.01868	0.7
117.03307	0.2
121.02838	0.1
122.03605	0.2
125.02319	0.2
129.00883	0.2
129.01860	7.1
133.02887	2.0
134.03697	1.2
135.04448	15.5
136.04756	0.9
137.02408	0.2
139.03951	0.2
145.02846	0.2
146.03674	0.3
147.02924	2.3
147.04401	0.5
148.58061	0.1
149.06100	0.3
161.02396	4.2
162.02757	0.3
163.03947	0.3
165.03993	100.0
166.04323	3.0
173.02409	0.3
175.03947	1.0
179.03458	12.6
180.03802	0.7
191.05550	0.8
201.01917	1.3
211.07603	0.5
218.02026	0.2
219.02914	0.3
229.86499	0.2
233.09448	0.4
237.09154	0.2
239.10791	1.7
240.11121	0.2
309.06259	2.5
327.07260	32.6
328.07614	3.0
353.08795	0.2
489.10626	1.5
489.14407	0.7
490.10550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.344
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.18555	0.1
59.01267	0.7
61.98714	0.1
66.70456	0.1
69.03321	0.2
69.95640	0.2
69.96040	0.5
71.01264	0.2
89.02293	0.1
97.02843	0.3
99.04417	0.1
111.00776	0.2
113.56734	0.1
115.46612	0.1
133.02859	0.1
136.80836	0.1
160.21750	0.1
161.02379	0.1
173.04515	0.2
191.05577	0.4
203.94225	0.1
212.09315	0.1
213.68945	0.1
377.28339	0.1
379.30313	0.3
391.29944	0.2
409.31180	0.4
487.34381	100.0
488.34720	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.344
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.66583	0.5
59.01264	4.0
61.92042	0.5
70.79688	0.8
70.79998	0.5
71.04907	1.6
83.04909	0.6
96.77171	0.5
98.30719	0.5
119.81345	0.5
121.73067	0.5
153.09129	0.6
169.88248	0.5
173.04385	0.5
193.58574	0.5
206.50182	0.5
208.11766	0.5
226.48570	0.5
407.33353	1.3
423.32861	1.2
425.34619	1.2
427.32422	1.5
443.35425	0.8
467.31842	1.4
468.32178	0.7
469.33328	14.1
470.33698	2.9
487.34412	100.0
488.34760	19.9
492.97452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01488	0.4
59.01270	1.3
61.80136	0.4
66.51928	0.4
69.03334	1.5
70.00471	2.5
71.01263	0.5
76.64562	0.4
85.02818	0.8
87.04417	100.0
88.04762	2.1
89.02356	0.6
92.89902	0.5
99.04430	22.3
100.04819	0.5
115.84202	0.4
125.09609	0.8
162.14014	0.5
240.44868	0.5
276.83752	0.5
293.08789	0.5
299.20239	3.0
314.08551	0.5
317.21353	3.5
318.21567	0.6
335.22571	0.5
355.26578	0.6
387.25189	0.6
398.40698	0.4
399.25522	37.2
400.25919	5.5
400.31635	0.6
487.30765	42.8
488.19073	1.1
488.31049	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	487.3439
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.35266	0.2
50.47213	0.2
51.43146	0.2
54.04452	0.2
59.01270	1.1
61.98723	0.5
74.77492	0.2
92.80969	0.2
186.79660	0.2
193.71918	0.2
203.48805	0.2
391.30252	0.6
393.31741	0.4
409.31192	0.4
487.34427	100.0
488.34756	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	487.3074
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
55.01770	1.3
59.01261	1.9
61.34765	0.5
66.63313	0.5
70.76151	1.3
70.76519	1.2
71.01275	0.7
77.75599	0.5
81.49670	0.8
83.04920	13.7
85.02849	34.1
86.03183	1.0
88.02466	0.5
92.56293	0.6
99.04430	2.4
99.44310	0.6
101.05987	100.0
102.06313	2.3
125.09641	1.5
146.11024	0.5
152.99529	0.6
164.43565	0.5
173.09558	0.5
191.99422	0.5
192.32593	0.6
299.20203	4.5
385.23938	36.2
386.24234	5.8
487.30759	48.7
488.31171	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	487.3078
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
55.09606	0.3
59.01267	1.4
61.19260	0.3
64.62721	0.3
68.80648	0.3
69.03340	1.1
71.32683	0.5
84.10076	0.3
85.02810	0.3
87.04414	100.0
88.04756	2.0
99.04421	14.1
100.04758	0.4
111.04417	0.3
125.09612	0.6
299.20203	1.7
300.20444	0.4
317.21268	3.7
318.21558	0.6
335.22455	0.4
387.25598	0.5
399.25516	32.5
400.25882	5.2
429.69907	0.3
479.82413	0.3
487.30795	40.1
488.31146	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	487.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.2
58.95497	1.2
59.01269	28.3
67.31836	1.1
70.73414	4.0
71.01266	1.3
71.41489	1.2
78.95791	1.4
79.74873	1.0
87.64504	1.2
95.04926	9.1
109.02824	2.5
121.02897	1.2
124.63044	1.2
137.02332	1.7
140.62079	1.2
149.02332	2.0
153.01811	1.5
158.03651	1.7
172.05252	2.4
173.05939	2.4
175.03900	1.2
177.01871	4.2
179.03439	1.8
185.09709	8.7
187.03969	4.0
187.07602	4.9
191.05486	1.3
192.04286	2.3
198.06888	1.1
201.05568	4.0
201.09221	2.9
201.12831	1.2
203.10722	2.4
213.09204	16.8
214.09888	5.1
215.07210	20.8
215.10738	31.9
216.07726	4.5
216.11060	3.2
219.17537	10.6
227.10796	1.7
229.08630	4.0
230.09476	27.8
231.10126	10.6
245.11836	29.0
246.12584	11.8
260.14227	34.5
261.14581	3.6
262.19070	1.2
266.08170	2.8
297.15256	1.9
297.18607	7.9
298.19061	1.6
325.18176	21.0
326.18378	3.2
327.16006	1.9
327.19702	4.5
340.20486	12.1
341.20901	2.0
355.19116	25.7
355.22906	20.7
356.19260	2.4
356.23273	2.1
370.21524	32.6
371.21713	5.4
385.23932	100.0
386.24307	13.5
387.72388	1.2
388.06003	1.5
487.33972	1.5
505.58411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
59.83855	0.2
60.01602	1.3
61.98732	0.3
62.57314	0.2
66.05611	0.2
68.68031	0.2
69.39583	1.7
71.01277	2.1
72.99214	0.2
73.02848	0.6
75.20709	0.2
76.40699	0.2
78.95790	0.3
83.01266	0.3
83.30996	0.2
85.02845	1.9
87.00762	0.5
89.02354	0.7
93.03336	0.5
95.01307	0.4
99.00770	0.4
101.02357	1.2
113.02357	1.7
113.02952	0.2
119.04980	0.3
133.02887	0.2
134.03595	0.3
135.04471	0.3
135.11739	0.4
137.02409	0.2
145.02863	0.3
161.04562	0.5
161.09718	0.5
167.88641	0.2
173.04521	0.4
176.20117	0.2
179.10712	1.2
191.05595	1.0
191.38474	0.2
205.08801	0.2
205.52121	0.2
223.09669	0.2
249.06160	0.3
263.07956	0.3
267.07236	0.3
279.33688	0.2
281.08893	1.4
283.02634	0.3
299.07584	0.2
335.67126	0.2
342.83551	0.2
385.22302	1.0
427.23624	1.3
443.14288	0.2
443.19537	1.5
487.18640	1.4
487.25821	1.7
487.33316	0.3
488.18958	0.3
488.25833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86917	0.4
55.01773	1.6
55.55695	0.4
57.03335	3.2
58.00472	0.5
58.26881	0.4
59.01268	100.0
59.98407	0.6
60.01591	1.0
61.98724	1.0
67.01787	1.4
68.99722	1.7
69.03343	2.3
71.01273	27.7
71.63038	0.4
72.99201	7.3
73.02840	5.9
75.00767	19.2
78.95789	0.6
79.05395	0.5
81.03357	1.7
83.01276	2.5
83.04913	3.5
85.02846	28.4
86.03170	0.6
86.89832	0.4
87.00773	15.8
89.02342	8.5
91.03916	0.6
93.03365	4.8
95.01286	6.3
95.04932	0.6
97.02847	1.1
97.06504	0.8
99.00789	13.6
99.04422	19.2
100.04786	0.8
101.02353	5.9
102.02626	0.4
103.00282	2.8
108.02080	1.0
109.02889	1.0
111.00797	1.5
111.04453	1.4
112.01613	0.8
113.02361	36.3
114.02679	0.9
115.00306	1.5
117.01865	2.9
117.03407	0.6
118.98129	0.4
119.03423	0.8
119.04940	1.0
121.02874	0.7
123.04435	2.3
123.49313	0.4
125.02383	1.8
125.06016	2.0
127.03906	0.7
129.01874	2.6
131.03429	1.7
133.02922	0.5
134.03685	0.5
135.04431	0.6
139.00281	0.6
141.05496	1.9
143.03416	1.2
149.04521	1.2
151.11232	1.3
153.05530	0.7
155.03465	0.4
157.01413	0.8
159.02994	0.7
161.02379	1.1
161.04495	1.8
161.13310	1.0
163.04025	1.0
163.14886	4.5
163.82175	0.5
169.05026	1.1
173.04475	2.9
175.02490	2.9
179.03511	0.6
191.05620	5.1
193.05026	0.4
193.06567	1.5
205.07204	2.0
207.05003	0.5
219.13896	0.9
223.08252	1.1
227.06721	0.9
231.04974	1.8
233.06758	0.5
237.14984	18.5
238.15422	1.6
245.33817	0.4
249.06207	22.7
250.06534	1.4
265.18231	0.7
267.07278	41.8
268.07608	1.5
275.07803	0.8
295.06247	1.6
313.16672	2.2
427.19772	10.8
428.20096	1.5
443.22672	0.6
445.20883	8.4
446.21146	1.3
469.20807	1.7
487.21936	94.5
488.22284	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	487.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32475	0.4
54.98618	0.5
55.01759	0.9
57.03339	4.1
58.00479	0.8
59.01266	46.8
60.01603	0.9
61.98716	0.7
67.01778	0.8
68.99710	1.4
69.03321	1.7
69.72325	3.5
71.01273	26.1
71.04854	0.5
71.93342	0.6
72.99200	5.3
73.02834	2.8
75.00764	17.6
81.03343	0.9
83.01260	1.2
83.04901	1.0
85.02845	28.4
85.65004	0.5
87.00768	10.6
89.02345	7.5
91.03967	0.5
93.03368	1.8
95.00739	0.5
95.01293	6.4
95.04909	0.9
96.01596	0.5
97.02843	0.6
99.00779	11.4
99.04414	3.4
101.02341	3.5
101.43316	0.5
103.00248	2.6
104.82836	0.5
108.34452	0.5
111.00787	1.0
111.04455	0.7
113.02364	35.0
114.02669	1.3
115.00297	2.4
117.01869	2.5
119.04943	0.8
119.44450	0.5
123.04455	1.1
123.08043	0.9
125.02317	0.8
129.01843	2.0
131.03418	1.5
133.02890	1.1
135.04425	1.1
149.04431	0.8
157.01311	1.0
161.02364	2.3
161.04469	0.6
161.13264	0.6
163.14864	7.7
175.02408	2.4
191.05585	1.6
205.07147	2.6
207.05110	1.5
223.08238	1.2
231.05119	2.0
237.14960	5.6
249.06189	22.0
250.06500	1.4
267.07269	63.2
268.07663	3.7
336.06491	1.1
351.08820	2.0
427.19684	2.8
443.49603	0.6
445.20786	1.9
445.26965	0.8
469.20660	1.4
487.21936	100.0
488.22278	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	487.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47808	0.3
57.03339	0.5
59.01263	3.9
59.11788	0.3
60.99192	0.6
61.98713	0.6
67.01770	0.9
67.05731	0.3
69.03342	0.4
69.46613	0.3
71.01274	2.7
71.38707	0.6
73.02842	0.5
81.03358	0.7
83.04913	1.5
85.02841	1.2
87.00782	1.9
93.03360	8.5
99.00792	0.5
99.04457	0.3
101.02368	0.5
106.40297	0.3
109.02905	0.7
111.04426	4.8
113.02415	0.6
122.03646	0.5
127.03933	0.6
129.01842	1.0
133.02921	1.8
135.04446	1.5
137.02383	1.2
145.02846	0.5
146.03690	0.3
155.03442	5.2
155.08676	0.7
159.04453	1.3
160.01587	0.5
161.02386	1.6
163.03975	0.6
171.04430	0.3
172.05252	7.9
173.04509	17.4
173.06039	26.8
174.04893	0.6
174.06752	5.6
175.04028	1.9
177.01849	0.6
179.03433	0.6
181.06512	0.4
182.07353	2.4
184.05350	0.4
185.06068	5.2
186.06654	0.9
187.04001	1.9
188.04788	2.0
189.05562	1.8
191.05577	7.1
192.05931	0.3
197.06035	0.9
198.06834	2.3
199.07620	17.1
200.08391	10.3
201.08791	0.9
202.06256	0.5
204.04317	1.9
205.05045	0.4
214.06284	2.5
230.05911	1.0
231.06374	0.4
241.12381	8.3
241.16008	0.8
242.12802	0.8
243.06950	1.5
243.13933	41.7
244.07437	9.3
244.14218	3.4
245.07698	0.4
249.13017	0.3
251.14438	5.6
252.14853	0.3
253.12196	0.4
253.59344	0.4
258.05338	0.6
267.13928	2.4
269.15530	19.0
270.15851	2.0
291.19855	0.6
295.13452	4.4
296.13803	1.0
313.14523	100.0
314.14853	12.1
351.06851	0.4
426.41623	0.3
487.19833	9.5
487.34409	7.0
488.20212	1.3
488.34830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.2
59.01260	3.0
60.99190	4.7
61.15709	0.4
67.01775	11.4
68.02151	0.4
69.03331	3.5
70.75574	0.4
71.01274	5.8
71.11003	0.4
71.58917	0.6
73.02837	0.5
77.76656	0.4
81.03364	2.5
83.04925	1.9
85.02847	10.1
87.00772	14.9
88.01072	0.5
90.09293	0.4
93.03357	81.8
94.03705	2.1
99.00778	1.9
99.04429	2.4
101.02393	0.5
104.93832	0.4
109.02865	1.3
111.04427	12.3
111.51559	0.4
111.69142	0.4
113.02373	1.2
121.71004	0.4
124.45440	0.4
127.03905	2.3
129.01878	1.4
137.02388	0.7
143.03404	0.5
155.03447	3.0
165.19565	0.4
171.03003	0.7
172.05193	0.8
173.04521	52.3
173.05965	3.5
174.04878	2.3
174.06831	5.5
182.07413	0.7
184.97769	0.4
185.06032	0.9
191.05583	100.0
192.05927	3.8
199.07732	2.1
200.08450	3.5
211.04167	0.4
225.05576	0.5
226.06313	0.6
241.12418	0.8
243.13942	5.6
244.07507	1.7
251.14536	0.6
269.15543	2.5
295.13455	1.1
313.14502	4.0
487.19846	51.8
487.34201	2.3
488.20200	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	487.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.2
59.01262	4.1
60.99186	2.8
61.98713	0.4
67.01779	9.2
69.03334	1.9
70.28829	0.3
71.01273	5.2
73.02821	0.6
78.95779	0.4
81.03339	1.9
83.01283	0.4
83.04919	1.2
85.02842	8.7
87.00770	13.5
89.02307	0.4
93.03358	60.1
94.03696	1.8
95.04943	0.3
96.67690	0.3
98.19793	0.9
99.00772	1.1
99.04430	1.2
101.02357	0.5
109.02820	1.5
111.00786	0.5
111.04434	8.9
113.02352	1.1
115.03951	0.3
125.02354	0.4
127.03920	2.4
129.01884	1.4
133.02879	2.7
133.06538	0.4
135.04460	0.4
137.02364	0.7
143.03505	0.8
149.04428	0.3
155.03439	2.1
155.08250	0.3
159.04480	1.5
161.02415	1.1
171.02925	0.9
172.05286	0.7
173.04514	37.6
174.03284	0.5
174.04858	1.7
174.06648	0.7
177.01918	0.4
182.07309	0.6
185.06021	2.0
186.06575	0.4
187.20253	0.3
189.79420	0.3
191.05582	100.0
192.05930	4.0
192.07529	0.5
199.07622	1.1
200.08386	0.7
229.05083	1.1
230.05853	1.2
241.12459	0.5
241.15924	0.4
243.13924	5.8
244.14375	0.4
251.14670	0.6
253.12082	0.4
267.13904	0.5
269.15540	3.3
270.15735	0.4
291.19861	0.6
295.13486	1.0
313.14536	5.8
314.14856	0.7
342.70819	0.3
487.19846	35.8
487.34393	1.2
488.20105	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	487.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69695	1.1
57.03333	1.3
58.08972	1.0
59.01263	20.6
60.99189	1.2
61.98722	2.4
64.80760	1.1
67.01780	2.6
69.89350	3.2
69.89779	3.3
71.01273	9.8
73.02816	2.2
79.65698	1.1
81.03345	1.3
83.04914	2.2
85.02843	4.5
87.00793	3.3
89.02350	3.1
89.76092	1.0
93.03357	18.1
98.19885	1.4
101.02314	2.5
109.02848	2.4
111.04411	4.9
113.02354	2.2
114.44011	1.1
115.03907	1.3
116.04277	1.2
125.02325	1.3
133.02872	3.7
135.04428	2.5
137.02312	1.1
155.03490	5.6
156.05614	1.5
159.04443	1.6
161.02408	2.9
165.52472	1.1
172.05247	7.5
173.04500	23.5
173.06026	25.3
174.05099	1.3
174.06725	5.0
175.03951	2.8
182.07300	2.1
185.05956	5.7
187.03940	1.4
191.05585	17.5
198.06873	2.4
199.07646	16.0
200.08376	10.4
204.04298	1.7
209.24406	1.1
214.06349	2.5
215.05481	1.1
241.12378	7.2
241.16124	1.6
243.13933	41.1
243.16428	2.0
244.07430	8.5
244.14265	2.7
251.14467	5.9
255.03180	1.3
267.13776	1.3
269.15524	17.1
270.15854	2.1
295.13446	5.0
313.14523	100.0
314.14807	9.7
348.47086	1.1
351.07043	1.3
385.22418	2.5
457.32745	1.5
487.19647	12.1
487.25760	5.6
487.34363	32.0
488.19983	3.1
488.34879	3.4
504.66037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66962	0.6
50.69156	0.7
55.01747	1.7
57.03287	7.2
58.00441	0.7
59.01263	31.3
59.01534	1.5
61.98700	0.7
67.01781	6.4
68.99717	7.0
69.03347	4.9
69.36617	6.8
71.01272	44.8
71.04880	0.7
72.01579	1.0
72.99153	2.6
73.02787	2.1
80.02569	0.6
81.03320	1.3
83.01279	5.3
83.04876	1.3
85.02845	50.6
85.99978	1.3
86.03122	2.1
87.00777	17.5
89.02336	7.3
91.03902	4.3
93.03355	3.5
95.01286	9.7
95.04881	1.2
97.02805	1.8
99.00726	1.8
99.04433	4.0
101.02335	4.0
103.00282	3.6
103.03900	0.9
105.70088	0.6
106.04126	1.3
109.02805	1.4
111.00796	8.5
111.04373	1.2
112.01508	2.6
113.02358	70.3
114.02651	0.8
115.03917	1.3
119.03377	1.0
119.04869	1.2
120.05608	0.9
121.02839	0.8
127.03922	1.9
129.01875	6.0
131.03406	1.1
133.02888	1.0
133.09256	0.8
133.10161	8.1
135.04399	1.7
135.11731	21.4
136.11996	0.8
137.02350	1.4
139.00316	4.1
143.03383	1.1
143.08557	1.0
145.02831	1.1
146.07277	1.0
157.01329	2.4
161.02362	1.7
161.09662	14.2
163.03949	0.8
169.04956	1.0
173.04561	1.7
179.10739	80.4
180.11084	4.5
187.06001	1.3
189.03990	2.6
191.05582	6.3
205.07140	18.6
205.08737	1.6
206.07500	0.7
207.26698	0.7
223.09767	4.2
231.05099	3.0
237.09743	2.2
249.06186	10.4
250.06551	1.0
255.02953	0.9
263.07755	36.1
264.08041	2.2
273.50204	0.7
281.08835	100.0
282.09152	5.9
297.13516	2.6
369.04416	0.7
389.81671	0.7
408.81393	0.7
411.16751	5.1
443.19308	86.9
444.19687	13.3
455.15771	1.7
469.17526	0.8
486.73431	0.9
487.18427	45.6
487.25729	5.7
488.18909	7.3
488.25912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1837
Annotation	Callophycoic acid G
Peak:m/z	Relative Intensity
52.56753	1.3
55.01762	1.8
55.05038	1.0
57.03344	6.1
59.01268	40.4
61.98707	1.4
65.43024	1.2
67.01783	5.7
68.99704	6.4
69.03333	4.4
71.01271	44.5
71.63206	1.7
72.99183	2.9
73.02828	3.3
82.12576	1.5
83.01280	4.6
85.02846	49.3
85.03362	2.4
87.00774	17.1
89.02355	5.6
91.03913	4.0
93.03368	2.7
95.01287	7.8
97.02851	2.4
99.04406	4.2
101.02357	5.2
103.00278	3.8
107.04942	2.0
109.02801	1.7
111.00785	5.7
111.04396	1.5
112.01601	3.1
113.02358	66.5
114.02701	2.4
117.03387	1.3
119.04901	3.6
127.03947	1.9
129.01878	6.3
133.10184	8.6
134.03680	2.2
135.04445	1.3
135.11743	14.2
136.12074	1.5
139.00298	5.3
145.02899	2.8
157.01392	2.5
158.13945	1.3
161.09671	14.0
163.03993	2.0
173.04469	2.8
179.10747	69.5
180.11079	4.0
189.04053	2.5
191.05557	8.0
193.04994	1.3
205.07159	17.6
205.08842	2.1
223.09781	3.7
231.05099	3.8
237.09717	2.2
249.06174	11.3
250.06511	1.6
263.07785	37.0
264.07904	2.2
279.10217	1.2
281.08847	100.0
282.09167	5.9
284.03104	2.2
297.13330	2.1
410.53625	1.4
411.16672	4.7
443.19312	83.3
444.19864	13.0
469.17468	1.5
487.18201	41.4
487.25513	10.0
488.18607	5.7
488.25595	3.1
500.35934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01278	2.6
66.77256	0.5
71.01265	1.1
71.58311	0.8
77.03988	0.5
78.96682	0.5
85.02855	2.1
89.02350	0.8
96.95924	1.8
98.95491	1.1
99.04426	0.8
99.82602	0.4
99.92481	21.5
100.92499	1.3
115.91988	6.6
115.93473	0.4
116.92773	100.0
117.92802	5.6
117.93568	1.0
133.06488	0.6
135.63867	0.4
195.46701	0.5
227.07098	0.6
293.08807	0.7
387.25592	1.8
401.14246	1.5
443.19046	1.1
482.76044	0.5
486.28934	0.7
487.18063	40.7
487.27957	2.4
487.33987	0.9
488.18198	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	487.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98348	0.6
59.01271	3.4
62.31027	0.5
71.01270	11.0
71.57932	0.6
72.99200	2.4
74.02358	1.2
82.02886	0.9
84.04459	3.0
85.02854	1.1
87.00810	0.7
89.02329	4.2
97.03979	1.1
97.26376	0.6
98.02414	0.8
101.02353	1.4
101.07118	2.1
102.05515	2.3
109.03992	4.9
113.02403	1.2
115.00289	25.0
116.00668	0.6
119.03461	0.8
119.04931	1.0
123.90813	0.5
125.03484	4.1
127.05064	17.4
128.03455	8.2
128.05380	0.9
133.01358	59.9
134.01685	1.2
134.03658	1.2
144.02914	0.6
145.06128	100.0
146.04523	6.7
146.06416	2.9
149.06004	0.6
163.04080	0.6
175.06033	0.7
178.02707	0.8
179.03506	0.7
179.05588	1.6
182.74373	0.7
191.05548	6.9
191.06825	0.6
192.06010	0.8
193.04961	1.5
200.28641	0.6
241.15967	0.6
341.10852	5.2
342.12076	0.5
353.08994	1.4
440.20105	0.6
487.14420	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	487.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10998	0.2
59.01262	1.4
61.98722	0.2
69.60585	0.3
69.60971	1.3
71.01272	0.8
73.02829	0.3
77.03886	0.2
78.95771	0.5
83.01269	0.3
85.02856	0.7
87.00802	0.3
101.02351	0.4
105.03373	0.7
109.02858	0.3
113.02374	0.6
117.03384	0.7
123.04451	0.2
132.02104	1.6
133.02884	32.4
134.03323	1.1
135.04443	12.9
136.04800	0.6
137.02362	0.3
145.66768	0.2
147.04440	0.4
148.05238	11.5
149.05624	0.5
161.02390	100.0
162.02727	5.8
163.07590	3.9
164.08002	0.2
175.03979	0.2
177.01947	0.2
178.02628	0.4
178.50764	0.2
179.03470	8.8
180.03798	0.7
191.05591	0.2
203.03488	0.3
233.04601	0.2
250.42603	0.2
252.99785	0.2
323.07785	9.0
324.08133	0.8
487.16183	38.1
488.16559	5.6
488.23312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31704	0.3
58.52412	0.3
59.01265	15.0
60.01607	0.4
61.98708	0.7
62.12188	0.3
64.79453	0.4
69.40001	3.3
70.10229	0.3
71.01274	3.6
72.99204	0.6
73.02832	1.8
83.01289	1.0
85.02847	2.3
87.00777	0.8
88.98682	0.4
89.02361	0.5
98.19766	0.7
99.00798	0.5
99.04441	0.3
101.02357	3.0
105.03394	1.2
109.02863	0.4
113.02334	1.9
117.03384	1.6
119.04968	1.0
123.04454	0.5
128.01685	0.4
132.02101	22.9
133.02901	16.0
134.03682	23.3
135.04553	2.5
136.01564	0.4
137.02364	0.9
138.01895	0.6
145.02937	1.1
147.04492	0.8
149.06018	5.4
158.03688	6.5
159.04163	0.6
160.01608	90.2
161.02394	26.4
161.04556	1.2
161.21719	0.4
162.02763	1.4
163.04094	0.4
173.04602	0.7
173.06032	6.7
174.03206	0.8
175.03967	100.0
176.04298	5.8
177.01892	1.5
178.02672	0.6
179.03427	2.2
191.05583	0.8
191.07150	1.2
193.05040	24.7
194.05426	1.6
201.01942	5.2
202.02701	7.8
203.03175	0.5
209.33549	0.4
217.05057	19.7
218.05457	1.4
221.04710	0.4
235.06229	2.6
250.85403	0.4
267.07050	0.5
269.10385	1.3
403.08374	0.4
412.11392	0.6
427.14032	6.2
428.14111	0.8
445.15186	3.5
472.13766	1.5
487.16174	62.0
488.16568	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	487.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	5.5
60.89997	0.5
61.98730	3.4
63.34645	0.6
66.75928	0.6
67.58610	0.6
71.01257	4.7
71.59628	1.1
72.99197	1.1
73.02829	1.4
75.00762	1.2
78.28528	0.6
85.02834	2.8
87.00764	1.7
89.02332	2.8
93.03345	2.9
94.93061	0.6
96.95903	2.5
97.02858	0.7
97.88828	0.6
98.95518	1.1
99.00749	3.7
99.92476	1.7
101.02336	2.8
109.02877	0.8
113.02358	3.7
115.91967	1.2
116.92791	2.7
119.04937	1.3
121.02876	2.0
129.01855	0.7
131.03374	1.0
133.02885	1.8
134.03668	58.4
135.04060	2.2
137.02374	8.9
139.03951	3.3
145.02890	1.6
146.08182	1.7
149.02377	0.9
149.06023	28.3
150.03174	1.1
150.06377	1.5
161.04485	1.1
163.03951	1.2
173.04530	1.3
175.04089	1.0
178.02686	30.6
179.03162	1.5
191.05579	6.4
191.07158	1.0
192.05844	0.9
193.05043	54.4
194.05391	3.6
235.06271	0.8
337.09769	0.7
355.10254	1.2
359.51825	0.6
487.14697	100.0
488.14951	13.1
488.21048	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	487.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69997	0.5
55.01772	0.6
57.03333	1.3
59.01267	100.0
59.21922	0.5
59.79348	0.4
60.01614	0.8
61.98720	1.3
64.61588	0.5
66.65427	0.5
66.75864	0.5
69.03350	0.9
69.86780	0.5
71.01276	7.4
71.28326	0.6
71.59685	0.7
71.60098	0.5
72.99198	1.1
73.02837	3.4
73.79295	0.5
75.00791	1.3
78.95811	1.0
83.01301	1.8
85.02850	9.9
87.00775	7.3
89.02342	2.9
93.03392	2.3
95.01282	1.0
96.95909	3.7
96.96863	0.7
97.02869	1.1
98.02385	0.8
99.00793	1.1
99.04431	0.9
101.02341	5.9
107.04916	0.6
108.02105	1.6
109.02881	1.1
111.00820	0.9
111.01222	0.6
111.01907	3.7
111.04444	1.0
113.02352	6.4
119.04893	0.7
121.02892	0.7
123.04404	2.9
124.01590	1.0
125.02396	1.6
125.06041	1.9
129.01923	0.6
133.02815	0.5
134.03632	0.9
135.04509	1.3
141.05515	1.3
143.00433	0.5
143.03491	0.8
153.05579	1.3
155.41502	0.6
159.02963	0.8
161.04521	4.3
163.03967	1.0
167.03442	0.7
169.05067	1.5
173.04526	1.2
181.05061	2.9
191.05562	5.0
193.04994	0.9
211.07703	1.5
212.09480	0.6
230.15512	0.6
269.10422	4.0
309.09854	4.1
327.09146	0.7
383.13544	26.4
384.13904	4.2
400.09299	0.7
400.34860	0.6
401.14655	12.9
402.14883	1.3
443.15668	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	487.147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.3
59.01266	2.4
70.23990	0.3
71.01269	3.2
71.05342	0.3
71.05669	0.4
72.99213	0.4
73.02836	1.4
78.95757	0.2
83.01317	0.3
85.02836	0.7
89.02339	1.3
93.03364	0.5
95.01263	0.4
96.95918	1.5
98.95497	1.0
99.00790	2.5
99.92493	1.3
101.02385	1.4
111.00781	0.4
113.02335	1.3
115.91999	1.1
116.92779	1.9
119.04923	0.7
121.02854	1.1
127.04978	0.3
128.03542	0.5
131.03471	0.3
133.02921	0.8
134.03664	52.3
135.03908	2.1
136.01602	0.4
137.02383	6.7
139.03937	2.0
145.02904	0.8
149.06021	27.3
150.03166	0.8
150.06374	1.6
159.04480	0.3
161.04515	0.4
163.03998	0.8
175.03967	0.7
176.04715	0.8
178.02673	25.3
179.03096	1.8
191.05576	2.4
191.07152	0.7
192.04185	0.3
193.05035	49.2
194.05374	2.7
235.06140	1.7
245.11861	0.4
247.06197	0.4
258.92798	0.3
337.09485	0.3
355.10532	1.0
443.15872	0.5
451.07199	0.5
487.14706	100.0
488.15063	12.8
488.22327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31104	0.2
59.01263	100.0
60.01595	1.2
61.98710	0.5
68.71938	0.2
69.03362	0.3
69.73048	1.3
71.01260	0.3
82.40583	0.2
83.04931	1.0
85.02868	0.4
87.00770	0.4
87.04430	0.4
99.04416	1.1
101.02383	0.3
121.06538	0.9
135.04420	0.2
161.02542	0.2
188.54666	0.2
237.65199	0.2
295.22794	1.3
403.24930	0.6
431.24210	0.3
439.32559	0.2
447.24011	0.3
449.25687	0.6
485.24991	0.8
485.33029	1.0
486.32709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01605	1.6
61.01676	0.6
61.98721	1.1
66.86349	0.3
69.26714	2.0
69.27147	1.6
71.00483	0.4
71.04931	0.3
78.95813	0.3
85.02867	0.6
99.04446	1.3
106.97160	0.3
111.00790	0.7
115.03913	0.8
121.02876	0.5
121.91926	0.3
133.97379	0.3
135.02960	0.3
161.02405	0.5
176.18750	0.4
247.05655	0.3
266.81488	0.3
295.22812	0.4
447.24084	1.3
449.25348	0.3
485.33145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2922
Annotation	Camphoratin C
Peak:m/z	Relative Intensity
52.26225	0.5
55.01767	1.4
59.01253	1.1
69.16991	0.5
70.82287	1.3
83.04927	0.6
85.02847	62.3
86.03164	0.8
88.67435	0.4
96.38562	0.5
99.04423	100.0
100.04770	2.3
111.04432	1.1
121.06505	0.6
123.08096	4.3
126.53628	0.5
137.85413	0.5
170.05600	0.5
173.09654	0.8
182.79938	0.5
299.20209	4.0
385.23941	33.3
386.24246	4.7
399.25488	5.6
400.25586	0.8
452.12360	0.5
485.29169	60.2
486.29553	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	487.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93282	0.5
58.02863	0.6
59.01268	2.7
70.73491	0.9
70.73865	1.0
71.00895	1.0
71.01271	13.2
72.04434	0.5
72.99197	3.1
74.02346	0.6
82.02866	1.2
84.04440	1.5
85.02869	0.9
85.57027	0.5
87.00771	1.2
89.02334	4.0
95.87679	0.6
97.03994	0.8
98.06287	0.5
101.02345	1.6
101.07110	0.9
102.05460	0.7
109.03964	1.9
115.00288	36.5
116.00610	1.0
119.04953	1.6
125.03484	1.7
127.05064	7.5
128.03464	5.4
130.67699	0.6
133.01357	100.0
134.01700	2.4
135.04498	1.2
144.02960	1.9
145.01392	1.3
145.06126	57.8
146.04535	3.6
146.06454	1.4
179.03506	1.5
179.05551	1.2
191.05585	12.7
192.05910	0.7
193.04988	0.7
211.25769	0.5
293.76981	0.6
341.10956	2.7
353.08887	2.2
444.26520	0.5
453.83206	0.5
474.65637	0.6
487.14645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	3.9
55.44909	0.6
59.01268	13.2
69.54881	5.2
83.04913	3.2
85.02847	87.9
86.03191	2.4
97.69830	0.7
99.04410	2.2
102.11549	0.7
110.35373	0.6
113.26437	0.8
123.08053	2.8
159.24207	0.7
261.07053	0.7
273.22205	1.3
281.25497	0.7
295.64743	0.7
299.20334	4.9
317.21277	25.4
318.21744	4.3
336.34396	0.7
355.15970	0.9
385.23853	3.0
403.24982	100.0
404.25369	14.7
467.31799	0.7
485.25378	95.3
485.32806	6.2
486.25708	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2768
Annotation	10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside
Peak:m/z	Relative Intensity
58.03175	0.2
59.01264	100.0
60.01604	1.0
61.98713	0.2
69.57391	1.5
71.01261	0.2
76.99548	0.2
82.01988	0.2
85.96134	0.2
88.45231	0.2
99.04431	0.5
128.18039	0.2
152.92935	0.2
168.51727	0.2
177.81490	0.2
217.14671	0.2
264.14020	0.2
294.42270	0.2
449.25717	0.3
485.33307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.0
57.03325	2.4
58.24802	0.9
59.01267	100.0
59.27227	0.9
59.93760	0.8
60.01598	1.2
61.98725	1.1
71.01275	13.0
71.61074	1.2
72.99176	1.0
73.02828	5.1
75.00744	1.1
83.01281	1.9
85.02852	6.2
87.00773	1.4
89.02351	2.4
93.03364	1.0
94.48820	0.8
99.00781	1.6
101.02357	8.7
101.35169	0.8
113.02354	5.5
125.02380	1.7
145.03020	1.0
161.04460	2.9
164.08334	2.0
166.13045	1.0
173.04498	1.3
191.05574	4.3
389.20764	3.2
389.70865	2.3
399.23981	4.2
429.11063	1.0
485.24542	2.1
511.16031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70117	1.5
59.01266	100.0
62.03931	1.8
71.01263	9.5
71.57525	2.1
73.02835	4.3
85.02843	6.0
85.03363	1.5
89.02276	2.3
94.57244	1.7
96.87455	1.6
101.02336	5.8
111.00764	1.9
113.02322	4.7
161.04469	1.8
176.75032	1.6
191.05516	4.5
268.80219	1.7
330.01074	2.1
399.23993	4.5
485.26074	3.2
485.32062	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	485.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30773	0.8
54.54105	0.7
57.03329	2.1
59.01265	41.1
59.66825	0.7
60.01599	1.0
61.98698	2.5
67.01762	1.4
68.99699	1.5
69.03381	1.1
71.01272	22.8
71.62749	0.7
71.63208	0.9
72.99186	3.3
73.02843	6.5
75.00764	13.7
81.03371	0.9
83.01289	3.8
84.02048	0.9
84.94968	0.7
85.02849	21.9
87.00768	9.2
89.02345	7.4
93.03356	3.1
95.01295	4.4
99.00782	7.9
101.02343	7.1
101.05979	2.3
103.00265	2.0
113.02367	31.8
113.97968	0.9
114.02700	0.9
115.00249	1.9
117.01881	1.9
119.04966	1.0
125.02368	1.8
129.01846	2.2
133.02869	0.9
135.11772	1.1
137.02388	1.2
145.02925	0.9
147.04407	1.0
161.02362	1.1
161.13300	10.9
173.04474	2.3
175.02441	2.3
179.03395	1.1
187.45670	0.9
191.05612	4.5
191.14333	1.2
207.05037	1.3
217.12314	1.9
235.13428	3.4
249.06198	12.0
250.06503	1.3
267.07269	100.0
268.07611	6.8
289.99219	0.9
300.02985	0.9
333.14813	1.6
389.20886	1.8
441.21472	1.8
485.13327	1.5
485.20319	30.7
486.20572	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	485.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.6
57.03346	2.7
58.00490	0.7
59.01263	29.9
60.01625	0.7
60.45847	0.5
61.98727	1.6
67.01765	0.7
69.03363	0.6
70.01378	0.5
71.01268	23.2
71.04925	0.6
71.57735	0.8
72.99180	3.9
73.02833	3.9
75.00765	12.3
83.01302	1.8
85.02846	18.0
87.00768	9.7
87.01272	0.7
89.02328	7.2
91.03925	0.8
93.03355	2.6
95.01266	3.5
99.00793	6.3
99.04424	1.0
101.02322	3.1
101.05999	2.8
103.00309	2.1
107.01552	0.6
109.02893	0.7
111.00802	1.5
112.01591	0.7
113.02353	28.8
114.02723	0.9
115.00278	1.3
117.01868	1.5
119.03457	0.7
119.04925	0.6
125.02406	0.8
129.01907	1.8
133.21924	0.5
135.04440	1.0
135.11745	0.5
137.02455	0.6
144.44182	0.6
145.02907	1.2
149.04529	0.8
161.13319	9.5
163.03987	0.8
173.04546	1.7
173.13361	0.6
175.02448	1.3
179.03418	0.6
191.05569	3.7
191.14467	1.0
205.07089	0.6
207.05084	1.4
217.12328	1.6
231.05003	1.1
235.13353	3.4
249.06192	16.4
250.06471	0.9
267.07263	100.0
268.07593	5.8
338.11862	0.6
485.20297	34.0
486.20996	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	483.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25401	0.3
58.92652	0.2
69.33072	0.5
69.33482	2.2
73.38492	0.2
78.95794	6.4
92.42947	0.2
95.64694	0.2
103.53830	0.3
152.99536	14.4
171.00655	1.3
182.27353	0.2
203.67831	0.3
227.03291	3.9
245.04323	1.6
255.23347	100.0
256.23700	10.8
329.12732	0.2
483.27423	38.5
484.27728	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	483.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58649	0.3
70.47765	0.8
78.95796	16.6
96.96851	1.8
150.97916	0.4
152.99524	27.9
153.99844	0.5
171.00578	1.3
227.03285	4.4
231.38745	0.4
245.04337	1.0
255.23323	100.0
256.23642	9.5
294.71027	0.4
391.22653	0.9
483.27380	68.8
484.27679	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	483.3127
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
59.01258	0.6
60.99191	0.1
71.59444	0.2
71.59805	0.2
73.02824	0.2
78.95799	0.2
80.96429	0.2
81.03327	0.2
91.84005	0.1
191.05522	0.2
202.96066	0.2
255.23314	0.3
342.21014	0.2
365.13818	0.2
393.31796	0.3
407.29599	0.3
437.30789	0.5
442.59122	0.2
451.30185	0.2
457.65024	0.2
483.31262	100.0
484.31607	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30766	0.5
57.03339	0.7
59.01264	100.0
60.01599	1.5
68.99709	1.0
69.03342	2.4
69.64285	4.4
70.45775	0.6
71.01269	10.6
71.82724	0.5
72.99208	1.5
73.02828	6.9
78.91444	0.5
81.03348	0.8
83.01279	2.2
85.02853	4.6
87.00770	61.9
88.01115	1.0
89.02351	2.3
95.01292	0.7
96.95901	1.5
97.02838	3.4
98.19785	0.9
99.00794	1.3
101.02343	23.7
102.02746	0.8
103.00271	3.5
111.00770	0.7
113.02368	2.3
113.67076	0.6
119.03448	0.8
125.02354	5.7
131.03462	0.6
143.03404	3.4
161.04507	1.5
173.04572	0.7
191.05618	1.2
244.01692	0.6
279.14487	0.7
305.08838	72.9
306.09082	4.3
323.09860	15.7
324.10187	1.0
365.10947	46.0
366.11447	4.3
383.11896	3.5
425.13141	11.4
425.19171	0.9
425.21100	0.7
426.13443	1.2
434.28711	0.7
484.57568	0.7
485.13919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64570	1.4
57.03342	2.0
58.00472	2.8
59.01267	100.0
60.01588	2.2
61.98720	3.4
71.01275	60.5
71.07485	4.1
72.99197	2.4
73.02839	65.8
78.95809	2.0
79.33153	1.5
82.51017	1.5
83.01287	18.0
84.02033	1.6
85.02856	15.8
87.00785	4.5
89.02337	9.8
93.03366	3.7
95.01300	3.3
97.02847	1.8
99.00819	1.7
101.02354	54.7
113.02361	18.4
119.03412	4.1
121.10153	2.4
125.02390	4.0
131.03424	2.5
134.03682	2.2
135.04474	2.0
143.03429	5.8
149.04524	2.9
152.94897	1.6
161.04506	9.9
163.04065	1.5
173.04517	6.1
175.14908	12.8
176.15309	2.2
191.05621	3.1
219.13928	30.7
220.14223	1.9
237.14969	4.5
320.24356	1.8
352.07880	1.9
399.20218	3.6
439.96509	1.6
441.21393	57.9
442.21722	8.9
485.25113	2.4
485.31421	12.5
486.22986	4.0
486.31088	1.7
505.75577	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	483.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01591	1.1
61.98707	1.0
69.91322	0.5
69.91729	0.3
71.01278	0.4
72.99195	0.2
73.02824	0.2
85.02860	0.2
97.78743	0.2
98.20592	0.2
111.00783	0.2
113.02380	1.0
116.92800	0.2
161.02338	0.2
162.42429	0.1
191.05672	0.2
381.23270	0.2
447.23676	0.2
454.41827	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	483.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86901	0.2
57.60724	0.2
59.01266	100.0
60.01609	1.2
61.98729	0.6
62.55276	0.2
64.10816	0.2
66.34900	0.2
68.08064	0.2
69.74404	0.4
69.74816	1.1
74.01933	0.2
85.02866	0.2
105.02002	0.2
163.04050	0.3
169.19019	0.2
173.04520	0.3
180.62074	0.2
275.20370	0.3
293.21234	0.3
337.04877	0.5
489.05353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2612
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2',6'-O-diacetate
Peak:m/z	Relative Intensity
51.37882	0.2
55.82268	0.1
58.97805	0.1
59.01268	100.0
59.10706	0.1
60.01603	1.3
61.98714	0.3
69.03357	0.2
71.60710	0.2
85.02932	0.1
85.18267	0.1
87.96146	0.3
88.79018	0.2
90.85761	0.2
92.11991	0.1
97.06272	0.1
102.09789	0.1
102.98508	0.4
111.00824	0.2
119.05016	0.2
119.33475	0.2
135.04427	0.1
141.01683	0.1
157.35190	0.1
191.05692	0.3
243.00130	0.2
250.08881	0.1
361.23990	0.4
423.22415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34354	0.2
56.01500	0.2
71.07079	0.3
71.07427	0.4
78.95795	5.8
96.96872	0.4
104.13656	0.2
152.99525	13.2
157.39537	0.2
171.00594	1.3
172.63576	0.2
227.03270	3.4
245.04268	1.3
255.23338	100.0
256.23672	10.4
305.23419	0.2
483.27411	35.9
484.27863	4.8
498.55557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26030	0.2
59.01267	4.0
66.42178	0.2
69.47775	0.8
69.48202	1.2
70.24900	0.2
71.66196	0.2
78.95795	7.7
79.05285	0.2
96.96844	0.7
100.16934	0.2
104.36894	0.2
123.97613	0.2
132.15829	0.3
152.99529	15.4
171.00554	1.5
189.26624	0.2
227.03267	3.5
245.04323	1.6
255.23338	100.0
256.23663	9.8
303.18802	0.2
483.27393	37.0
484.27740	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	483.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30820	1.3
55.01774	2.7
57.03331	4.4
58.00491	1.4
59.01262	43.5
61.16298	1.1
61.98716	1.5
67.46574	1.1
69.03333	2.0
70.35494	1.2
70.86398	1.1
71.01266	81.3
72.01605	1.9
72.99197	2.6
73.02835	24.4
75.00765	2.3
81.03335	1.2
83.01284	8.2
85.02840	31.2
85.99982	6.1
87.00274	0.8
87.00771	18.3
87.04440	2.3
89.02336	26.5
93.03355	3.2
95.01297	4.4
96.95280	2.3
96.95911	47.7
97.02873	4.7
98.19790	3.0
99.00762	9.0
99.04415	1.3
100.38182	1.2
101.02341	46.4
109.02882	1.8
110.40412	1.1
111.00784	3.0
113.02355	32.6
114.93312	2.1
119.03403	3.8
119.04929	1.7
125.02387	7.2
127.07597	1.2
129.01831	2.9
129.09132	3.0
131.03461	6.2
132.98015	1.1
133.02882	1.7
135.04480	3.0
137.02312	1.5
141.01715	1.3
141.23524	1.1
143.03432	4.3
149.04504	5.3
153.01898	2.4
158.47171	1.3
159.02966	7.2
161.02361	3.3
161.04501	27.3
173.04593	2.0
179.03459	2.9
191.05557	9.4
192.06010	1.4
201.11308	18.5
223.59314	1.0
233.06679	1.6
267.07129	2.2
291.14551	72.9
292.14816	5.3
293.08853	3.0
332.75824	1.1
352.08691	1.2
381.17206	1.2
385.11481	3.1
423.18796	100.0
424.19138	12.7
500.87415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.8
57.03336	0.5
58.14811	0.3
59.01264	7.1
61.98727	0.4
69.03329	0.4
71.01270	5.0
71.57268	0.4
72.99175	0.8
73.02835	1.7
75.00758	0.4
78.95805	0.8
83.01273	1.0
85.02839	3.9
87.00765	1.8
89.02332	1.9
93.03348	0.7
95.01279	1.0
96.95904	0.4
97.02869	1.1
99.00774	1.0
99.04419	100.0
100.04743	2.7
101.02348	2.6
109.02843	0.6
111.00793	0.7
111.04429	0.6
113.02361	7.4
114.02670	0.3
115.03935	0.4
117.03411	0.5
119.03423	0.3
119.04906	1.4
120.82982	0.3
125.02382	0.8
133.02890	0.3
134.03668	0.9
135.04457	0.5
137.02415	0.7
139.03912	0.3
141.01656	0.8
142.27065	0.3
143.03439	1.4
145.02916	1.8
147.04402	0.5
148.05240	0.7
149.04526	0.7
152.01105	0.5
152.99553	1.2
155.03412	0.5
161.04468	1.4
163.03970	1.9
163.07640	0.4
167.03421	0.3
173.04512	2.2
178.99727	0.4
179.03368	0.3
191.05591	2.4
193.05112	0.8
215.05649	0.7
234.44075	0.4
269.10406	1.9
311.11383	1.2
337.09427	1.0
345.06290	0.4
383.13562	8.9
384.13971	0.7
401.14615	4.2
402.15109	0.7
423.17191	0.4
423.22470	1.2
441.17905	0.4
447.22565	1.3
483.19812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16222	1.2
57.03343	2.5
59.01268	30.4
61.98722	6.9
67.01775	4.6
69.03332	1.7
71.01276	17.0
71.59283	1.6
72.99226	1.8
73.02841	2.7
75.00780	4.7
81.03339	1.9
83.04928	2.3
83.05672	1.4
85.02847	8.8
86.51270	1.4
87.00769	4.9
89.02339	8.1
93.03359	31.1
95.01297	1.6
96.96908	1.4
99.00789	2.4
99.04440	2.5
101.02359	6.0
108.02082	2.8
109.02861	2.0
111.00832	1.5
111.04443	5.3
113.02364	9.7
117.03400	3.5
119.04965	19.3
121.02882	1.9
125.02376	2.3
134.03636	2.8
135.04465	4.4
137.02370	8.5
143.03419	1.5
145.02924	14.4
149.04391	1.9
152.01094	4.9
155.03455	5.5
161.02383	2.4
163.03978	25.1
164.04272	2.3
173.04520	100.0
174.04874	4.5
179.03410	2.5
191.05602	26.0
192.06053	2.2
206.99890	1.9
211.07585	2.3
249.06216	5.6
265.02548	1.4
267.07312	13.8
304.06982	5.7
304.57266	2.3
319.08261	5.4
323.08435	1.9
327.08902	2.6
337.09357	45.5
338.09650	4.8
447.22375	14.8
448.22949	2.5
477.21619	1.5
483.13272	1.9
483.19434	19.6
484.20129	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	483.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.8
57.03336	0.5
58.14811	0.3
59.01264	7.1
61.98727	0.4
69.03329	0.4
71.01270	5.0
71.57268	0.4
72.99175	0.8
73.02835	1.7
75.00758	0.4
78.95805	0.8
83.01273	1.0
85.02839	3.9
87.00765	1.8
89.02332	1.9
93.03348	0.7
95.01279	1.0
96.95904	0.4
97.02869	1.1
99.00774	1.0
99.04419	100.0
100.04743	2.7
101.02348	2.6
109.02843	0.6
111.00793	0.7
111.04429	0.6
113.02361	7.4
114.02670	0.3
115.03935	0.4
117.03411	0.5
119.03423	0.3
119.04906	1.4
120.82982	0.3
125.02382	0.8
133.02890	0.3
134.03668	0.9
135.04457	0.5
137.02415	0.7
139.03912	0.3
141.01656	0.8
142.27065	0.3
143.03439	1.4
145.02916	1.8
147.04402	0.5
148.05240	0.7
149.04526	0.7
152.01105	0.5
152.99553	1.2
155.03412	0.5
161.04468	1.4
163.03970	1.9
163.07640	0.4
167.03421	0.3
173.04512	2.2
178.99727	0.4
179.03368	0.3
191.05591	2.4
193.05112	0.8
215.05649	0.7
234.44075	0.4
269.10406	1.9
311.11383	1.2
337.09427	1.0
345.06290	0.4
383.13562	8.9
384.13971	0.7
401.14615	4.2
402.15109	0.7
423.17191	0.4
423.22470	1.2
441.17905	0.4
447.22565	1.3
483.19812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63459	0.4
59.01268	15.5
61.98712	1.2
69.47043	2.5
69.47469	1.2
71.01264	3.6
73.02834	1.2
83.01264	0.6
83.04887	0.5
85.02827	2.1
86.90384	0.5
87.00783	0.5
89.02343	1.2
93.03345	1.4
94.68118	0.4
101.02351	2.9
108.65830	0.4
109.02868	2.0
111.04428	0.5
113.02362	1.6
117.03405	1.3
119.04948	0.8
132.02083	1.5
133.02884	32.3
134.03514	1.5
135.04448	10.4
136.04761	0.5
137.02368	1.5
137.06012	0.7
145.02843	0.8
153.01871	2.2
159.04399	0.7
161.02391	100.0
162.02736	6.1
163.03940	1.4
173.04495	1.2
178.02556	0.4
179.03465	6.2
180.03922	0.5
181.05009	1.3
191.05579	3.5
192.54332	0.4
203.03555	0.5
223.43553	0.5
237.09160	0.6
289.07281	0.8
291.06647	0.9
327.08850	0.6
389.22992	0.5
397.15036	3.9
409.03134	0.5
439.16196	61.0
440.16467	8.2
483.17923	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	483.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39575	0.3
57.03342	0.6
59.01270	3.0
67.01781	2.9
69.03355	0.7
69.25323	1.3
69.25746	2.5
71.01265	3.1
73.02840	0.6
78.83006	0.3
79.73183	0.3
81.03334	0.7
83.04910	1.4
85.02847	1.3
85.48389	0.3
87.00765	1.5
93.03361	20.3
94.03681	0.6
99.21960	0.3
101.02345	0.5
106.69829	0.3
109.02878	0.7
111.00797	1.2
111.04422	7.7
113.02368	1.0
117.03390	6.6
117.58220	0.4
119.04946	32.8
120.05294	1.8
122.06161	0.4
127.03917	1.0
129.01833	0.3
137.02377	9.5
138.02596	0.3
145.02890	29.7
146.03258	1.8
155.03442	16.2
156.03770	0.7
162.35027	0.4
163.03957	39.0
164.04240	2.4
170.89029	0.4
173.04512	100.0
174.04829	4.4
191.05583	10.0
195.08121	1.3
208.64577	0.3
211.07640	1.3
239.07152	1.0
275.09528	0.9
304.92215	0.4
319.08295	32.6
320.08688	3.7
323.08871	0.4
327.08838	0.9
337.09369	33.1
338.09781	3.4
385.51590	0.4
408.61157	0.5
410.11353	1.4
410.61548	0.6
483.13110	14.6
483.20041	1.7
484.13705	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	483.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87672	0.2
57.03340	0.6
59.01258	1.8
60.99188	0.4
61.98745	0.2
65.03828	0.3
67.01778	3.2
69.03360	0.7
71.01270	1.8
72.99225	0.2
76.39193	0.3
81.03362	0.9
83.04928	1.4
85.02834	0.9
87.00764	1.2
93.03359	22.2
94.03704	0.7
98.19811	0.5
100.69949	0.2
107.04930	0.3
108.27573	0.2
109.02875	0.9
111.00813	0.9
111.04430	6.9
112.04755	0.4
113.02387	0.4
115.00263	0.3
116.58244	0.2
117.03384	5.5
119.04945	32.1
120.05284	1.6
121.02823	0.4
124.06244	0.2
127.03962	0.9
128.49605	0.2
135.04417	0.2
137.02373	10.9
138.02716	0.5
145.02890	24.9
146.03241	1.4
155.03444	14.6
156.03801	0.4
163.03958	40.8
164.04329	2.3
173.04512	100.0
174.04851	4.4
187.07605	0.2
191.05586	5.9
195.08192	1.0
211.07582	1.1
213.09190	0.4
239.07175	0.5
257.08417	0.2
275.09375	0.6
319.08286	28.1
320.08609	2.9
327.08783	0.5
337.09360	37.0
338.09686	3.9
390.79071	0.2
410.11035	0.3
410.61594	0.4
483.13062	8.5
483.19980	0.5
484.13257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40852	0.2
51.81976	0.3
57.03342	0.6
59.01277	2.0
66.90778	0.2
67.01781	2.6
69.03349	0.7
69.63342	1.5
69.63751	0.6
71.01275	3.3
73.02832	0.3
81.03354	0.6
83.04934	0.7
85.02866	0.8
86.05132	0.2
87.00771	0.7
89.02341	0.4
93.03364	20.6
94.03705	0.7
101.58338	0.2
109.02856	0.7
111.00806	0.5
111.04446	3.7
113.02375	0.7
116.07904	0.2
117.03403	0.7
119.04950	12.7
120.05309	0.6
127.03946	0.5
132.61555	0.3
137.02385	5.4
139.16954	0.2
145.02895	2.3
155.03456	4.7
163.03963	20.5
164.04298	0.8
173.04518	100.0
174.04875	4.2
174.75919	0.2
191.05629	4.1
211.07666	0.4
261.31784	0.3
319.08313	1.6
337.09372	48.9
338.09723	5.0
417.04517	0.2
447.22571	1.4
483.13007	0.7
483.20053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.9
59.01271	2.5
60.99194	0.4
61.98717	0.6
63.93817	0.3
65.03859	0.5
66.84089	0.3
67.01775	4.0
69.03345	0.8
69.32499	1.2
69.32925	1.5
71.01273	2.9
73.02845	0.7
78.95793	0.5
81.03357	1.0
83.01286	0.4
83.04911	3.0
85.02851	1.0
87.00773	2.0
93.03361	23.6
94.03712	0.4
107.04955	0.6
108.02077	0.5
108.15514	0.3
109.02869	1.9
111.00798	1.6
111.04430	12.1
112.04760	0.4
113.02371	0.4
115.00291	0.3
117.03381	10.7
118.03658	0.4
119.04947	49.5
120.05291	2.1
121.02824	0.7
127.03934	1.7
133.02893	4.8
135.04501	1.4
137.02376	13.1
138.02658	0.6
145.02892	51.0
146.03229	3.0
151.03963	0.4
153.01852	0.5
155.03447	29.0
156.03827	1.1
159.10251	1.7
161.02397	21.9
162.02733	1.2
163.03964	52.5
164.04341	2.3
173.04520	100.0
174.04871	4.4
179.03485	0.6
185.09595	0.4
191.05588	2.7
195.06615	0.5
195.08131	2.1
211.07660	0.7
213.09276	0.5
239.07175	1.3
257.08243	0.4
275.09210	1.4
283.05972	0.4
319.08295	56.8
320.08627	5.2
321.15631	4.2
327.08817	0.3
337.09360	26.7
338.09747	3.0
355.32275	0.4
449.34460	0.3
483.13007	17.6
483.19006	7.5
484.13303	2.6
484.19373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89047	0.7
70.05263	3.8
78.95798	44.3
79.29931	0.8
96.96855	3.6
102.33433	0.7
105.91108	0.7
133.53712	0.7
148.36237	0.8
152.99538	68.6
153.99857	1.4
171.00612	19.2
227.03258	4.2
245.04359	100.0
245.59700	0.8
246.04645	3.2
253.21783	57.3
254.22122	6.5
274.84543	0.7
481.25854	48.0
482.26154	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	483.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24501	0.2
57.03320	0.3
59.01261	1.2
61.98723	1.2
67.01791	0.5
69.32011	2.2
69.32420	0.6
71.01278	0.8
73.02822	0.5
81.03345	0.7
83.04924	0.8
85.02828	1.3
87.00762	0.6
93.03353	5.6
111.04426	3.2
117.03371	2.0
119.04943	57.7
120.05288	2.8
127.03931	0.8
129.01819	0.4
137.02391	0.6
145.02882	7.1
146.03256	0.5
155.03442	3.7
159.52527	0.2
161.02342	0.4
163.03955	100.0
164.04285	5.4
173.04504	12.8
173.06018	0.5
174.04863	0.9
191.05582	20.6
192.05933	1.0
276.24170	0.3
281.97327	0.3
319.08289	7.7
320.08636	1.2
337.09354	32.6
338.09714	3.7
370.00461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11805	0.3
50.49500	0.3
53.26197	0.4
57.03330	0.4
59.01263	2.1
67.01792	1.1
67.29725	0.3
69.03337	0.4
71.01276	2.1
73.02826	0.4
81.03360	0.7
83.04932	1.0
85.02871	1.0
87.00787	0.8
87.20282	0.3
93.03366	10.1
94.03693	0.7
99.00776	0.4
109.02861	0.8
111.04435	4.6
117.03387	4.6
119.04953	63.1
120.05297	3.2
121.02881	0.5
124.45512	0.3
127.03949	0.9
129.01862	0.3
134.03670	0.8
135.04475	0.5
137.02399	2.7
145.02898	18.9
146.03220	1.0
149.02385	0.3
155.03432	5.2
163.03966	100.0
164.03020	0.5
164.04308	6.0
173.04521	28.0
174.04793	1.5
175.04976	0.4
178.02519	0.3
191.05605	14.8
192.05936	0.8
196.61975	0.3
198.89026	0.3
211.07652	1.6
213.85509	0.3
223.07581	0.6
224.22354	0.3
229.49539	0.3
261.11365	0.7
319.08316	20.6
320.08640	1.7
327.08865	1.7
337.09381	30.3
338.09726	2.9
390.90274	0.4
410.11353	0.4
417.32520	0.3
469.50073	0.4
483.12906	0.8
483.18509	0.6
496.29623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98720	2.7
69.91232	0.7
71.15753	1.3
71.16090	1.2
78.95794	41.1
92.13045	0.7
96.96841	3.6
98.19662	0.6
152.99527	56.2
153.99873	1.0
168.43597	0.6
171.00591	17.8
175.28816	0.8
209.68222	0.7
227.03249	3.8
232.01390	0.7
245.04341	100.0
246.04712	3.7
253.21767	68.2
254.22134	5.8
295.96158	0.7
480.73151	0.8
481.25797	55.8
482.26233	6.9
498.51511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	2.7
58.02888	0.5
59.01265	58.2
60.01602	0.5
69.03350	0.7
70.12785	1.4
70.13203	0.9
70.94919	0.5
71.01271	55.9
72.01609	0.7
72.99195	3.5
73.02837	15.4
75.00743	0.9
83.01276	1.6
85.02847	6.0
87.00748	2.5
89.02338	99.2
90.02686	1.4
93.03355	0.9
95.01278	1.0
96.95943	0.8
97.02859	1.3
99.00780	33.5
99.04424	0.7
100.01166	0.5
101.02348	45.5
102.01876	1.6
102.02645	1.1
113.02357	10.1
115.03911	0.7
119.03428	5.9
119.04919	0.6
125.02378	4.6
131.03426	22.6
132.03722	0.7
135.04414	0.5
143.03445	2.3
149.04498	100.0
150.04854	1.7
161.04491	3.4
163.03891	0.5
179.05630	2.4
191.05580	24.4
192.05898	0.9
221.06662	5.8
222.07137	0.6
233.06776	0.5
251.07756	9.4
275.07730	0.8
281.08792	0.7
293.08932	1.7
311.09943	2.2
337.09521	1.2
349.18634	2.7
481.23050	50.5
482.23410	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	481.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01601	1.2
61.98721	3.6
63.51472	0.3
69.03363	0.3
71.01284	0.8
71.49081	0.5
72.99214	0.7
73.02839	0.6
75.00763	0.4
78.95798	2.8
83.01255	0.4
85.02840	0.5
87.00786	0.8
88.98738	0.3
96.96882	0.7
97.06521	0.3
99.04427	1.9
101.02384	0.7
101.06007	0.3
102.98491	0.4
109.02862	0.4
111.00787	0.3
113.02383	0.7
115.03952	0.5
120.17529	0.3
125.02364	0.2
126.03163	0.2
127.24474	0.3
131.03502	0.2
133.02881	0.4
137.49655	0.2
148.05284	0.4
151.00363	0.6
152.99518	5.4
161.02426	1.1
171.53360	0.3
191.05594	0.4
197.12016	0.3
199.04016	0.4
215.03613	0.7
223.13368	0.4
227.03496	0.6
237.14938	0.5
242.02214	1.5
243.02997	4.1
243.05318	0.3
244.03520	0.4
245.37323	0.2
255.03145	0.4
257.04727	1.0
270.01767	1.5
271.02545	4.9
272.03110	0.5
285.04047	2.1
286.04865	0.5
299.02121	1.1
300.02847	2.4
313.03659	2.4
314.04382	7.9
314.07910	0.5
315.05148	8.2
316.05527	0.6
319.22812	3.6
320.23297	0.5
380.04828	1.1
400.68402	0.3
445.22427	0.3
481.23947	1.3
482.25864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1858
Annotation	11-Hydroxyvittatine
Peak:m/z	Relative Intensity
51.93369	1.6
57.03316	1.9
59.01269	25.7
61.98711	4.8
69.48878	13.4
71.00961	1.7
71.01266	21.6
72.99173	2.0
73.02827	7.6
78.95780	3.9
85.02837	7.6
87.00762	3.5
88.82529	2.0
89.02328	9.0
93.03317	5.1
99.00773	4.1
101.02344	14.5
102.98476	4.9
107.04929	28.0
108.05301	1.9
110.75364	1.6
113.02351	9.6
119.03368	3.0
123.04408	4.2
133.02853	5.9
135.04468	13.3
137.02336	3.1
137.05972	5.4
151.03957	13.8
153.05484	4.9
155.10585	2.9
161.02399	13.6
161.04437	12.4
173.04482	6.5
177.01813	2.9
178.02608	2.2
179.03427	6.9
185.11816	37.5
191.05618	13.4
201.05479	2.8
217.81529	1.9
237.66933	1.6
247.04288	3.3
313.16693	2.8
408.27728	1.7
445.20871	47.8
446.21017	6.0
480.32669	3.1
481.18466	100.0
481.33057	3.6
482.18549	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	481.173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63386	0.4
57.03325	1.5
57.55768	0.5
59.01270	3.0
60.99190	5.7
65.03864	0.6
67.01781	15.7
68.48103	0.6
69.03347	4.2
69.97010	2.1
71.01272	6.3
71.04919	0.4
72.99184	1.1
73.02834	0.8
81.03349	3.3
83.01279	0.5
83.04927	3.0
85.02858	1.5
87.00774	21.3
88.01118	0.5
93.03362	100.0
94.03703	3.3
95.01277	0.7
97.06493	2.9
99.00789	1.5
99.04416	1.4
101.02357	0.8
105.03358	0.8
106.04169	0.5
107.43805	0.5
107.93929	0.5
109.02874	1.4
111.00753	0.8
111.04434	16.4
112.04745	0.7
113.02355	1.8
115.03909	1.0
121.02872	1.2
127.03942	0.8
129.01855	3.7
133.02885	7.9
134.03676	51.3
135.04486	11.1
137.02371	6.7
139.03940	1.9
143.03482	1.1
155.03455	6.0
161.02376	0.6
162.03194	1.0
163.03976	0.7
173.04518	81.6
174.04871	3.0
177.01898	14.3
178.02678	48.7
179.03444	10.4
187.07607	0.5
191.05626	4.5
203.10799	0.5
213.09204	0.8
231.10263	4.5
265.00815	0.6
275.09344	18.1
276.09589	1.5
292.65210	0.5
307.11945	29.9
308.12335	2.6
311.86691	0.7
331.19211	0.8
449.14645	10.5
450.14819	1.2
481.17279	65.2
482.17606	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	481.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97223	0.4
52.06743	0.4
57.03337	2.0
59.01266	7.5
59.78865	0.4
60.99188	6.2
61.98720	38.2
65.03846	0.6
67.01780	15.8
68.09631	0.4
69.03343	4.2
70.09180	2.1
71.01273	7.0
72.99212	0.8
73.02837	1.2
75.00775	0.4
77.01144	0.4
78.95795	0.7
81.03345	2.9
83.04929	2.6
83.93438	0.4
85.02866	2.8
87.00775	19.1
88.01105	0.6
89.02339	1.2
93.03363	100.0
94.03686	3.4
97.02860	0.7
98.20460	0.6
99.00790	2.1
99.04409	1.9
101.02340	1.1
109.02865	1.4
111.04436	14.0
112.04789	0.5
113.02358	3.2
115.03910	1.0
119.04960	1.0
121.02896	0.5
123.54465	0.5
129.01863	2.0
133.02888	2.9
134.03677	10.2
135.04482	4.9
137.02376	2.8
143.03471	1.0
150.03116	0.6
151.03909	0.6
155.03436	3.1
161.02382	0.8
162.03165	0.8
173.04521	50.9
174.04817	2.7
177.01874	1.5
178.02669	8.3
179.03481	3.4
180.03706	0.4
191.05592	6.9
203.00957	0.4
275.09381	1.2
308.09280	1.0
331.19339	0.5
351.07315	1.2
352.08017	0.8
357.32104	0.5
413.10611	0.4
449.14651	40.9
450.14963	6.1
478.35364	0.5
481.17307	31.6
481.23541	1.6
482.17606	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	481.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
59.01270	2.8
61.98722	0.5
69.43472	2.1
69.43890	0.7
71.01273	0.8
73.02819	0.4
78.95786	0.4
81.03365	0.7
83.04927	0.8
85.02855	0.8
87.00798	0.9
93.03365	3.5
96.96865	0.3
97.06486	4.9
101.02364	0.5
105.03371	0.7
106.04145	0.6
109.02865	0.3
111.04419	2.9
119.04949	0.6
121.02866	0.5
127.03974	0.5
129.01848	0.4
133.02885	4.2
134.03670	89.9
135.04536	7.2
136.04831	0.3
137.02411	2.0
139.03963	0.6
155.03459	3.9
173.04527	8.3
174.04843	0.4
175.03967	0.3
177.01901	5.7
178.02678	18.3
179.03442	2.2
191.05605	3.6
193.05067	0.3
231.10292	3.1
275.09311	5.6
276.09561	0.5
284.03189	0.7
298.82538	0.3
307.11942	100.0
308.12314	10.6
384.31271	0.3
480.61996	0.4
481.10690	0.5
481.17313	6.5
482.17532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15761	0.3
53.74879	0.4
57.03339	2.0
59.01269	5.7
60.99189	4.9
61.98713	2.2
65.03836	0.6
67.01781	14.0
68.02104	0.4
69.03338	4.0
69.41637	3.6
71.01276	7.2
72.99187	0.5
73.02834	1.6
81.03355	3.1
83.01249	0.5
83.04910	1.6
85.02837	2.7
87.00776	21.9
89.02367	0.6
93.03362	100.0
94.03699	4.2
95.01316	0.4
97.02864	0.5
99.00775	2.3
99.04426	1.5
101.02361	1.5
106.86694	0.4
106.93639	0.4
109.02858	1.8
111.00857	0.4
111.04436	14.4
112.04749	0.5
113.02365	2.9
115.03921	0.6
117.03362	0.5
119.04922	1.0
121.02869	0.5
122.80244	0.4
125.02402	0.5
127.07854	0.4
129.01883	2.6
133.02869	2.6
134.03682	9.0
135.04475	4.9
137.02385	2.6
139.03925	0.7
143.03461	1.7
143.10724	0.4
150.03172	0.4
155.03453	3.1
156.03667	0.6
163.03976	1.2
173.04515	58.5
174.04839	2.8
177.01910	2.2
178.02692	9.9
179.03453	3.3
191.05595	4.1
275.09341	1.2
306.07730	0.4
308.09119	1.2
317.93066	0.4
351.07230	1.2
352.08109	1.7
415.28900	0.4
449.14639	56.2
450.14960	8.1
480.64807	0.5
481.17310	30.5
481.27829	4.7
482.17636	5.0
482.28763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15965	0.3
57.03344	1.7
59.01265	3.4
60.99192	5.6
61.64901	0.3
61.98711	1.5
65.03857	0.5
67.01776	13.9
69.03350	4.0
69.93101	0.9
69.93514	0.7
71.01269	4.9
73.02824	0.7
78.95792	4.1
81.03355	2.5
83.04910	2.3
85.02822	1.8
86.67745	0.3
87.00773	21.3
89.02359	0.4
93.03358	100.0
94.03698	3.4
96.96884	0.4
97.06518	1.5
97.07053	0.3
97.79030	0.4
98.19746	0.3
99.00788	2.1
99.04430	2.0
101.02341	0.7
106.04180	0.3
109.02852	1.3
111.04431	13.7
112.04752	0.5
113.02364	1.7
115.03918	0.9
121.02830	0.4
129.01874	2.8
133.02855	3.1
134.03667	23.0
135.04527	2.7
137.02399	2.4
143.03401	0.9
150.96954	0.3
152.99524	5.6
153.01854	0.5
155.03453	3.5
161.02380	1.1
173.04512	62.7
174.04878	2.2
177.01900	3.0
178.02673	11.9
178.04233	0.6
179.03421	1.8
191.05569	3.9
231.10292	1.6
275.09332	4.3
294.87201	0.4
307.11951	7.1
308.12152	0.6
314.67786	0.3
331.18832	0.4
449.14633	11.8
450.14789	2.1
457.25055	0.3
481.17178	52.0
482.17609	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	481.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.7
59.01270	3.8
60.99193	4.7
61.21336	0.2
61.98730	0.6
64.02310	0.2
64.45817	0.2
65.03857	0.5
67.01779	13.9
68.02117	0.3
69.03345	4.5
71.01269	5.7
71.04929	0.5
71.60310	0.3
72.99193	1.4
73.02837	0.9
81.03357	3.0
83.01260	0.6
83.04922	3.6
85.02847	1.6
87.00774	18.9
88.01094	0.3
89.02356	0.7
93.03361	100.0
94.03693	3.4
95.01273	0.4
97.02876	0.4
97.06487	3.5
97.45046	0.2
99.00780	2.3
99.04404	1.8
100.26723	0.3
101.02359	0.8
105.03401	0.6
105.32964	0.2
106.04163	0.4
108.02066	0.4
109.02881	2.0
111.00761	0.5
111.04431	17.0
112.04757	0.6
112.47353	0.2
113.02359	1.8
115.03928	1.0
117.03403	0.3
119.04940	0.4
119.47803	0.3
121.02873	2.0
123.04455	0.3
127.03951	0.6
129.01865	2.7
133.02885	12.4
134.03668	66.3
135.04492	14.8
136.03831	0.3
136.04811	1.0
137.02377	10.3
137.90285	0.3
138.02647	0.4
139.03937	2.9
143.03441	1.0
145.01358	0.8
145.02899	0.5
149.02382	0.7
150.03180	0.9
152.01071	0.3
153.01778	0.3
155.03458	7.0
156.03851	0.3
160.01532	0.3
161.02448	0.9
162.03200	1.9
162.82542	0.3
163.03867	0.6
165.01912	0.4
173.04514	72.7
174.04872	3.1
175.03969	0.3
177.01901	18.9
178.02675	65.7
179.03433	12.9
180.03836	0.5
187.07552	0.4
191.05588	6.3
193.05037	0.4
203.10799	0.3
205.96513	0.3
213.09207	0.8
231.10307	5.9
232.10646	0.4
243.10358	0.3
263.12930	0.3
275.09320	25.1
276.09653	2.7
284.03220	0.3
306.07474	0.4
307.11932	37.4
308.12308	4.1
349.22339	0.3
421.20459	0.4
449.14642	9.0
450.15115	1.3
481.17261	54.4
482.17603	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	481.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63372	0.2
57.03343	0.3
57.62315	0.2
59.01269	2.9
60.99207	0.4
61.98716	1.5
67.01778	0.6
69.03339	0.3
71.01271	1.4
71.59775	0.3
73.02840	0.5
77.44722	0.2
81.03355	0.3
83.04930	0.8
85.02845	7.9
86.03195	0.2
87.00784	2.2
89.02330	0.4
93.03359	5.6
96.95914	1.0
97.02885	0.2
99.00770	0.3
99.04419	0.4
101.02358	0.6
109.02872	1.3
111.00794	0.5
111.04425	1.3
113.02359	0.3
127.03938	2.5
129.01910	0.2
129.26166	0.2
135.04469	0.4
136.77083	0.2
137.02386	0.6
138.51364	0.2
139.67639	0.2
155.03404	0.5
171.02940	0.7
173.04507	2.7
173.05922	0.3
174.06802	0.4
175.07668	0.2
184.05254	0.3
187.03998	0.7
187.07628	2.0
191.05588	100.0
192.05923	4.0
197.06096	0.3
200.04771	0.2
201.05586	0.4
202.06337	2.0
203.07042	0.4
203.10767	0.3
213.09245	1.5
215.07164	0.7
225.16205	0.2
229.08714	0.2
231.10252	2.8
232.10825	0.2
245.11819	0.3
247.09831	0.4
257.08243	1.2
263.13040	0.2
275.09311	2.0
289.10791	0.9
301.20511	0.2
303.52463	0.2
307.12051	1.6
354.04840	0.2
382.00766	0.2
425.76044	0.2
449.14655	9.5
449.31345	0.4
450.15067	1.4
481.17004	1.2
481.26706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59109	0.4
56.32403	0.4
56.44866	0.4
59.01253	1.7
61.98718	100.0
71.57814	0.6
89.05310	0.4
96.76717	0.3
162.83812	0.5
166.08566	0.4
218.27251	0.4
343.50601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15812	0.2
59.01266	3.5
61.98718	100.0
62.98428	0.2
71.01295	0.4
71.04933	0.3
71.56641	0.3
72.99220	0.2
78.95808	0.7
83.04941	0.2
85.02840	0.4
85.43744	0.2
87.00791	0.8
89.86835	0.2
99.04419	1.0
123.92157	0.2
133.02942	0.5
134.04639	0.3
135.04453	0.2
139.07611	0.3
152.99576	0.8
161.02437	0.3
174.87909	0.2
179.03400	0.3
191.05524	0.2
197.11894	0.7
285.05637	0.2
300.58560	0.2
319.22968	1.0
437.20844	0.2
456.08502	0.2
460.28976	0.3
481.24493	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3109
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
58.23430	0.4
59.01254	1.1
61.98428	0.6
61.98720	8.7
62.96281	0.5
78.95799	21.4
95.56944	0.6
99.04430	1.1
122.00024	0.6
140.01126	4.9
152.99480	2.5
196.03806	10.8
214.04865	1.4
229.62123	0.7
250.69287	0.4
253.21738	0.8
255.23341	2.3
256.23566	0.5
283.26498	100.0
284.26831	11.7
319.21509	0.5
331.97809	0.6
480.31119	38.3
481.25671	0.9
481.31421	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	480.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53499	0.4
57.62935	0.3
59.00959	0.6
59.01266	15.4
61.98718	100.0
70.59805	0.8
71.01288	1.9
73.02851	1.1
83.01276	0.5
85.02873	0.7
93.03357	0.8
95.24482	0.4
99.00793	0.4
101.02332	2.1
113.02383	1.2
133.02933	0.5
135.04462	0.4
161.02370	0.7
161.04556	0.7
191.05663	1.9
308.21078	0.4
331.17752	1.7
336.51492	0.4
373.18881	0.7
387.70999	0.4
481.16965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.6
59.01265	32.1
60.01603	0.6
60.78888	0.3
61.98718	100.0
69.03350	0.8
70.55560	1.0
71.01268	10.6
72.99213	0.7
73.02837	11.2
75.00774	1.1
78.95798	1.8
83.01279	4.4
85.02842	3.8
87.00788	1.2
89.02339	4.4
89.02855	0.5
93.03363	2.5
95.01286	0.6
96.96832	0.4
97.02872	0.5
99.00789	1.1
101.02347	16.1
107.04954	1.2
108.05247	0.5
109.02876	0.4
111.00848	0.6
111.04472	0.5
113.02357	5.7
119.03408	2.4
119.04967	0.7
125.02411	0.5
131.03461	1.4
133.02908	0.9
135.04480	2.2
137.02452	1.0
143.03429	1.9
145.02917	0.9
149.04509	2.8
151.03905	0.5
152.99513	2.1
155.03444	0.3
161.02437	1.8
161.04504	5.8
163.03996	0.7
173.04576	1.1
179.03441	1.0
179.05602	0.4
183.10280	0.4
191.05580	6.9
191.07092	0.7
203.05664	0.6
210.49286	0.3
216.67821	0.4
220.81303	0.4
221.06699	1.0
271.02551	0.6
272.03104	0.5
287.14178	0.4
299.02161	0.7
300.02725	0.5
313.16779	1.0
331.18222	2.2
349.20276	1.8
373.18845	2.9
421.21036	0.4
424.10425	0.4
479.33432	0.7
480.22372	2.8
480.28342	0.6
480.33038	1.1
481.22821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10017	0.2
59.01263	35.7
60.01590	0.4
61.98715	100.0
62.98445	0.3
69.03339	0.3
71.01262	4.2
71.55623	0.5
73.02835	2.1
75.00794	0.4
76.35248	0.3
78.95808	0.7
83.01289	1.0
85.02414	0.3
85.02840	1.6
86.12223	0.3
87.00761	0.5
89.02362	1.1
93.03359	0.7
95.01321	0.3
96.96884	0.3
97.02871	0.3
97.48722	0.3
99.00819	0.7
100.22231	0.3
101.02348	4.4
102.02663	0.3
103.77944	0.3
104.60555	0.3
111.20728	0.3
113.02349	2.3
119.03425	0.4
125.02328	0.3
135.04427	0.7
161.02411	0.8
161.04478	2.1
173.04420	0.4
179.03471	0.5
191.05585	2.5
230.25117	0.3
233.09572	0.4
256.20212	0.4
257.17685	0.7
258.18094	0.6
331.17651	4.2
331.21289	0.3
332.17953	0.6
339.05658	0.3
350.16312	0.3
373.18704	3.7
374.18936	0.6
412.73325	0.3
420.23282	0.8
479.25278	0.6
480.25562	4.0
481.25839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96049	1.7
59.01268	100.0
61.98717	4.9
64.61507	1.5
71.60617	1.9
74.77193	1.6
76.11087	1.6
78.45255	1.5
87.04419	5.9
99.04416	2.8
119.74693	1.7
121.02843	2.0
171.63994	1.8
190.83940	1.9
192.98553	1.7
204.95958	1.7
217.00345	1.8
299.65955	1.6
378.93994	1.6
419.20935	2.2
419.24750	2.2
445.60803	1.7
479.24649	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	479.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	26.5
61.08374	6.6
61.98717	100.0
71.57988	7.1
71.58382	10.4
78.95824	9.5
83.04908	32.1
86.87063	7.7
88.38035	8.2
89.79408	6.5
91.73998	7.0
101.05997	9.7
248.22646	8.5
299.16531	10.1
317.21173	8.6
385.31033	8.6
419.28186	76.1
420.28290	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01615	1.0
60.36049	0.2
61.98716	0.6
71.01288	0.7
71.57433	0.3
75.57974	0.2
78.91819	0.3
78.95814	0.4
84.44987	0.2
85.02847	9.6
85.84263	0.2
86.03271	0.2
89.02364	0.3
101.02366	0.3
109.06497	0.2
110.98469	0.4
117.03395	0.2
121.02891	0.6
134.03635	0.3
191.05562	0.3
197.11713	0.2
201.96262	0.4
217.00351	0.3
299.16794	0.4
311.22455	1.0
317.17615	0.2
408.90503	0.3
419.19574	0.3
419.24258	1.3
479.23270	2.6
480.23917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.43341	4.0
61.98719	39.7
69.03340	8.3
70.08602	8.6
70.09004	12.7
71.01260	9.6
72.99196	11.0
74.34666	4.5
78.95787	29.1
85.02837	9.1
86.99380	4.4
87.00770	18.7
87.04359	6.4
93.03333	5.1
98.20458	6.4
99.04415	54.2
101.02294	5.1
101.05965	6.3
113.02322	13.9
115.03918	9.5
133.02826	6.4
135.04381	4.9
145.02925	23.5
145.03886	5.0
152.99561	44.8
161.02463	6.4
177.95210	5.3
191.05617	6.3
217.00214	11.3
229.01495	7.0
271.02197	5.0
283.02493	8.6
299.01965	12.0
327.08783	14.5
351.21722	8.2
419.30167	9.0
473.32611	5.0
479.09650	9.8
479.22101	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	479.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	6.9
57.03338	6.2
58.00483	2.5
58.03685	0.3
59.01266	50.9
60.01611	0.5
65.43887	0.3
67.01772	0.5
68.99728	0.6
69.03349	2.3
69.34911	1.5
69.35339	1.0
71.01270	100.0
71.04913	0.8
72.01611	1.7
72.99199	3.9
73.02836	28.1
74.03167	0.6
75.00761	1.9
78.95808	0.6
79.75327	0.2
81.03329	0.5
83.01279	14.3
84.01620	0.3
84.02068	0.7
85.02843	44.5
85.99986	1.2
86.03204	0.9
87.00774	4.7
88.12805	0.2
89.02338	25.2
90.02682	0.4
95.01287	8.1
95.01914	0.5
97.02853	4.4
99.00784	12.2
99.04432	1.0
101.02346	70.3
102.02682	1.6
106.89147	0.3
108.21058	0.3
109.02864	1.0
111.00812	1.5
111.04442	0.4
112.01582	0.4
113.02356	43.8
114.02718	0.9
115.03910	2.2
119.03424	9.3
125.02360	2.5
128.60800	0.2
129.01859	1.9
131.03400	1.3
139.00299	0.5
143.03445	5.6
144.03806	0.3
149.04527	0.6
149.09630	0.3
152.99493	0.3
159.02928	9.6
159.04227	0.5
161.04501	49.2
162.04872	2.1
163.11220	0.7
165.12733	0.7
179.05592	1.6
201.37970	0.2
205.03445	1.3
273.22354	1.9
299.20251	1.3
317.21283	33.7
318.21594	3.4
335.22430	0.6
435.24097	1.1
479.26663	96.8
480.27011	17.3
480.34109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	5.4
56.02136	0.4
57.03336	5.2
58.00478	2.8
59.01265	55.1
60.01588	0.4
61.71156	0.3
67.01794	0.3
68.99715	0.7
69.03356	2.1
71.01270	100.0
72.01608	1.5
72.99193	5.0
73.02836	28.9
75.00760	1.5
78.95763	0.3
81.03364	0.9
83.01277	13.3
84.01591	0.4
84.02050	1.1
85.02844	45.2
86.00017	1.7
86.03174	0.9
87.00773	5.4
89.02341	24.8
95.01288	7.9
97.02859	4.3
98.19733	0.8
99.00781	12.4
99.04412	0.5
101.02349	69.8
102.02682	2.1
109.02838	0.8
111.00782	0.7
111.04380	0.5
113.02359	42.6
114.02718	1.6
115.03873	0.7
119.03421	8.8
125.02378	2.1
129.01854	1.8
131.03421	1.3
135.04317	0.4
143.03433	5.5
149.04509	0.9
149.09628	0.6
159.02940	8.9
160.01575	0.6
161.04500	50.4
161.98978	0.4
162.04865	2.0
163.11266	1.0
165.12793	0.6
175.03937	0.7
179.05583	1.7
203.91733	0.4
205.03519	2.9
206.01059	0.3
206.02940	0.4
210.06900	0.4
230.35786	0.4
270.45313	0.4
273.22333	2.0
277.09677	0.3
299.20248	1.6
317.21292	36.8
318.21606	4.6
335.22488	0.6
375.56689	0.4
383.64960	0.4
416.03519	0.4
451.51013	0.4
479.26611	94.1
480.26953	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	479.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03281	1.1
58.00423	0.5
59.01206	18.2
59.01533	1.5
60.01565	0.4
61.98661	4.7
62.76711	0.3
63.54144	0.3
69.03300	0.7
69.90904	2.0
70.07232	0.3
71.01208	1.2
72.53027	0.3
73.02794	0.5
78.95795	10.5
78.96220	0.4
79.31829	0.3
83.04877	0.7
85.20210	0.4
87.00700	1.0
96.96823	0.4
97.02778	0.4
97.06406	0.6
98.19890	0.7
99.04351	1.2
99.08045	2.7
110.98440	8.4
110.99144	0.3
111.08012	0.8
113.02311	0.4
113.09633	3.7
115.03854	0.5
123.08026	0.4
125.09565	0.5
127.07522	0.7
129.09125	4.6
133.02806	1.3
134.03127	0.6
135.04396	0.4
139.11160	1.0
141.09111	0.6
151.11133	1.4
152.99527	1.8
153.12717	0.8
155.10567	0.4
158.67880	0.4
161.02414	4.4
162.02687	2.2
163.02835	1.3
163.11182	0.5
167.01108	3.0
167.10623	0.4
167.14281	0.5
169.12271	3.2
171.10222	3.7
177.12788	0.5
181.12306	4.9
183.13875	2.4
185.00696	0.6
185.02171	8.6
185.11800	0.6
191.05562	0.4
193.12306	2.1
197.11812	11.2
198.12039	0.9
199.11754	0.4
199.13385	5.4
200.13680	0.6
211.13396	15.1
212.13635	1.3
227.12878	0.6
246.04457	0.4
249.22142	0.6
265.21741	1.1
272.21136	0.3
275.20184	1.5
291.19595	0.4
293.21301	13.2
294.21530	1.2
311.22339	100.0
312.22687	11.1
328.92331	0.4
479.24268	46.8
480.24609	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	479.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09372	0.4
59.01264	100.0
60.01596	1.3
61.98722	0.4
71.01289	0.5
71.58064	0.5
78.95838	0.3
85.44057	0.3
87.04401	4.4
91.01117	0.3
99.54661	0.3
125.66091	0.4
170.57008	0.4
187.52100	0.4
191.05713	0.4
232.88440	0.3
235.80716	0.3
245.61893	0.3
293.21298	0.4
335.22229	0.5
479.25668	0.5
482.46683	0.3
493.50140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28838	1.2
51.02686	1.2
55.01784	1.5
57.03326	4.2
58.00480	1.7
59.01267	100.0
60.01590	1.6
60.99203	1.6
61.98706	4.1
66.36723	1.3
67.72711	1.2
69.03333	1.9
71.00898	2.3
71.01271	38.7
71.04896	3.1
71.59411	2.6
72.01610	1.7
72.99205	19.3
73.02834	4.9
75.00775	14.5
77.15324	1.4
78.95804	10.7
79.32772	1.3
83.01274	3.4
83.04929	1.6
85.02846	16.8
87.00778	7.8
87.04433	1.7
88.98704	3.2
89.02343	34.4
90.01849	1.9
91.00269	33.5
93.03347	6.4
95.01282	2.0
95.04905	3.4
96.95918	20.7
96.96867	6.9
97.02847	2.3
99.00790	5.5
99.04414	1.9
101.02355	23.5
101.05956	1.9
107.04936	2.7
109.06510	2.3
111.04442	2.0
113.02365	19.4
115.03954	2.0
119.03415	11.7
119.04908	2.5
121.02823	1.7
125.02345	2.1
125.06014	4.1
131.03445	2.8
137.02452	1.4
137.06023	2.2
143.03441	2.4
148.04082	1.7
149.04517	2.6
151.07562	1.7
161.04439	4.4
161.09698	1.8
163.03967	2.4
171.10214	1.9
173.04514	4.1
175.65204	1.4
177.01892	2.7
177.09244	2.7
179.05612	7.3
191.05600	8.4
193.05066	1.4
195.10262	3.4
198.06735	2.5
203.10724	3.3
205.12402	1.4
221.11847	3.6
225.11383	3.0
239.12804	1.8
253.09344	1.9
285.09500	18.0
285.59521	4.4
397.14191	2.2
437.17020	1.5
479.17990	5.8
479.21423	6.3
480.12573	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64927	2.2
57.03333	4.7
58.00484	2.6
59.01267	100.0
61.98708	2.9
67.70657	2.2
69.03333	3.0
69.84631	6.8
69.85040	5.5
71.01270	39.5
72.99186	15.6
73.02844	3.7
75.00774	14.5
78.95791	22.5
85.02855	15.5
87.00777	8.3
89.02343	37.1
90.01881	4.1
91.00266	25.7
93.03380	10.9
95.01274	2.7
96.95930	7.0
96.96867	9.4
97.02864	2.4
99.00756	12.1
99.04384	3.3
101.02348	25.0
108.02093	4.3
111.04451	4.2
113.02368	18.7
115.03920	2.5
119.03419	9.0
119.04946	9.6
121.02893	2.9
125.02347	3.3
125.05977	3.6
134.03642	2.2
135.04442	2.9
137.02379	3.2
143.03450	2.4
148.04085	8.1
148.54251	2.9
149.04469	4.1
152.01096	6.2
155.03441	2.8
161.04549	4.0
163.03970	4.6
173.04514	8.8
177.01964	2.6
177.09102	2.5
179.05579	5.9
184.28577	2.4
191.05573	22.8
198.06717	11.8
198.56853	2.5
203.10837	3.4
225.11371	5.8
238.07950	2.4
256.29477	3.1
285.09546	26.1
285.59689	4.4
347.17020	2.9
348.65668	2.8
375.16544	3.3
397.13995	3.7
479.11948	2.8
479.17056	14.4
481.74454	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.9
57.03333	0.9
59.01268	100.0
60.01606	1.7
61.98714	2.3
69.03344	1.5
69.58571	1.0
69.58986	2.3
71.01274	12.2
72.99194	1.4
73.02840	4.4
75.00768	0.6
78.95782	0.6
81.03335	0.7
83.01290	1.0
83.04930	0.6
85.02853	7.2
87.00784	4.5
88.03924	0.5
89.02341	10.2
93.03371	2.1
95.01296	1.1
96.95908	0.6
97.02853	1.5
99.00782	5.0
101.02351	8.6
109.02839	0.7
111.04443	0.8
111.08063	0.6
113.02379	5.3
115.00310	1.1
115.03896	0.6
119.03412	2.0
119.04944	1.1
123.04453	1.2
125.02351	1.6
125.05917	0.9
125.09684	0.5
127.03932	0.6
129.01846	1.4
129.09177	0.5
131.03407	3.0
132.02931	0.9
132.03847	0.5
135.04488	2.2
136.07596	1.7
137.02444	0.7
137.32303	0.4
141.05469	0.6
143.03436	1.7
146.21466	0.5
149.04497	2.0
151.03935	0.6
159.16782	0.5
161.04530	1.7
163.03951	0.9
167.10666	0.7
169.04932	0.6
173.04510	2.2
177.01886	1.3
179.05612	0.7
181.12294	0.7
186.12370	1.1
191.05603	7.8
199.13348	1.1
201.03886	0.5
207.10207	0.9
211.07555	0.8
224.06952	0.7
225.11345	2.7
233.06607	2.5
243.12289	0.9
247.48016	0.5
257.13065	0.6
299.13889	0.5
327.08765	0.6
347.16898	0.6
363.20361	0.7
364.18680	1.6
375.16690	15.6
376.16953	1.6
391.08524	0.6
393.12933	0.8
393.17679	9.9
394.17844	1.6
435.17599	0.7
435.22296	1.7
461.19785	0.8
479.21280	24.1
480.22086	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	479.0841
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
59.01267	4.2
61.98699	2.0
65.00195	1.8
65.11426	0.5
68.04586	0.5
70.39320	1.1
70.39711	1.1
71.01266	2.8
73.02845	0.9
78.78971	0.5
79.86750	0.5
83.01289	0.8
85.02856	0.8
89.02327	1.1
90.62025	0.6
93.03387	0.9
95.01290	2.3
99.00747	1.6
101.02348	0.8
107.01284	2.2
108.02048	0.7
109.02891	3.7
109.99977	3.2
111.00784	2.0
113.02348	1.0
119.01311	0.6
123.00813	3.0
124.01588	2.9
125.02374	1.8
133.02957	0.9
135.00758	0.7
136.98726	1.2
137.02409	1.2
137.99542	1.4
139.00313	3.7
143.04985	0.8
146.03612	1.1
149.02435	0.7
151.00299	8.3
152.01093	5.0
153.01799	1.7
155.04901	0.6
159.04425	1.6
161.02379	1.8
163.00298	3.3
164.01068	2.6
165.01883	0.8
165.99020	4.2
166.99774	2.9
169.01398	1.0
171.04422	0.7
175.04042	1.5
178.99831	6.1
181.01390	0.9
183.04451	1.0
185.02280	0.6
187.03989	1.9
189.01903	1.0
190.02673	0.7
191.05518	1.8
194.99429	0.8
198.03215	1.3
199.03983	3.2
200.04683	0.8
201.01892	1.5
201.05446	0.5
203.03488	2.0
205.01433	0.8
206.99350	0.8
210.60880	0.7
213.01910	1.2
214.02710	3.1
215.03462	4.2
216.04152	0.8
226.02721	1.3
227.03531	4.6
228.04056	0.7
229.01372	0.9
229.04982	0.7
230.02168	0.8
231.03026	4.0
241.01453	1.2
242.02179	4.9
243.02982	8.6
244.03641	1.9
245.04453	1.3
255.03012	4.7
259.02536	3.6
260.03073	1.6
270.01749	5.3
271.02530	27.6
272.03162	7.8
273.04153	4.6
274.04459	0.9
287.02039	10.8
288.02786	8.6
289.03394	1.5
298.01236	1.7
299.02032	24.8
300.02322	2.6
304.23709	0.6
315.01450	1.4
316.02280	46.8
317.03024	29.6
318.03439	2.5
343.06635	1.8
435.09491	1.7
461.07257	2.0
479.08408	100.0
480.08771	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	479.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	4.5
60.34976	0.3
61.98723	0.8
63.02290	1.2
65.00220	1.4
65.72220	0.4
69.03354	0.6
69.33337	0.5
69.33743	2.6
71.01265	2.8
71.12779	0.3
72.99201	0.4
73.02839	1.3
78.95815	0.7
83.01292	1.0
85.02847	2.3
87.00803	0.6
89.02351	0.9
93.03349	0.6
99.00790	0.5
101.02350	2.5
107.01291	2.4
108.02116	0.4
109.02869	1.5
111.00794	0.4
112.14933	0.3
113.02376	1.5
114.03456	0.3
115.03962	0.5
115.05439	0.3
117.03414	0.4
119.01293	0.4
121.02866	0.7
133.02876	3.7
134.03607	0.4
135.00798	0.4
135.04454	7.0
136.04797	0.6
143.04915	0.8
145.02907	0.9
151.00320	3.7
152.99516	0.5
155.04951	0.7
157.02901	1.0
159.04507	0.9
161.02409	4.4
161.04518	0.7
163.00238	0.5
170.90892	0.3
171.04512	2.7
173.02328	0.8
173.04604	0.4
175.03934	1.8
178.99812	1.1
179.03468	5.2
180.03757	0.5
183.04425	0.5
185.02477	0.4
187.04008	1.8
191.05586	0.8
194.81024	0.3
197.02347	0.8
198.03191	0.5
199.03995	7.1
200.04343	0.6
201.01910	2.5
203.03529	0.9
206.33340	0.3
215.03482	2.5
225.01971	0.5
226.02669	1.5
227.03508	4.9
242.02179	0.9
243.03030	7.1
244.03404	0.4
254.02246	1.1
255.03012	2.1
271.02539	56.7
272.02896	4.5
274.95334	0.3
282.01651	0.4
289.22198	0.3
299.02029	100.0
300.02487	12.8
301.03531	3.0
317.26920	0.6
323.32355	0.3
335.22232	0.5
365.08582	0.5
479.19244	0.5
479.21777	0.5
479.24393	0.4
479.32297	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	479.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.1
63.02280	1.3
65.00208	3.1
69.41804	5.3
69.42237	5.3
71.01271	3.4
75.00761	1.4
83.01266	1.7
85.02840	2.8
85.26205	1.3
87.00766	1.7
89.02367	1.9
94.43407	1.4
95.01285	4.9
99.00760	1.7
101.02271	1.1
107.01290	3.6
108.02060	1.5
109.02850	6.4
110.00018	7.7
111.00800	4.2
113.02338	3.3
115.90256	1.2
120.99562	1.8
123.00822	5.8
124.01571	4.4
125.02358	3.0
135.00836	1.6
136.98688	3.1
137.02411	1.6
137.99544	2.6
139.00323	9.8
146.03696	1.2
148.01619	3.0
149.02383	3.4
151.00291	15.9
151.97556	1.2
152.01112	6.6
153.01843	3.8
155.95058	1.2
159.04436	2.0
161.02385	1.9
163.00333	5.3
164.01056	4.5
165.01849	1.4
165.99055	8.0
166.99800	6.5
171.04494	1.3
172.05199	1.8
174.03189	2.1
175.03979	1.6
178.99794	14.0
183.04437	2.2
185.02448	1.7
186.03288	2.2
187.03937	5.2
188.04831	2.0
189.01907	1.9
190.99907	1.9
191.05618	3.0
198.03181	3.4
199.03996	7.7
201.01956	3.6
201.05502	1.5
202.02524	1.4
203.03488	4.2
205.01274	2.0
206.99402	2.3
208.00182	2.1
213.01918	1.7
214.02733	4.0
215.03513	5.9
216.04163	3.5
218.02107	1.5
219.02917	1.4
227.03574	8.9
229.01399	1.3
230.02032	1.7
231.02960	5.1
241.01459	2.6
242.02254	10.2
243.03008	17.2
244.03712	3.8
249.06204	1.7
255.03035	7.8
259.02567	7.9
260.03232	2.3
267.07413	2.6
270.01746	12.5
271.02536	73.6
272.03156	14.2
273.04013	6.8
287.02026	23.1
288.02768	11.9
289.03485	2.2
298.01242	2.7
299.02036	54.1
300.02521	4.5
301.03513	1.3
311.07770	1.3
316.02286	96.6
317.02982	41.2
318.03455	4.6
336.51324	1.4
477.03305	1.6
479.08408	100.0
479.21353	6.2
480.08636	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	478.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78960	0.3
59.01265	3.4
61.98719	100.0
71.48898	0.8
75.66815	0.3
78.95820	0.6
80.53723	0.3
99.04430	0.6
101.19908	0.3
147.94199	0.3
152.90346	0.3
152.99582	0.5
255.23328	0.3
272.13327	0.3
355.67545	0.4
418.26813	0.8
478.29544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01162	0.9
57.53804	1.0
59.01255	3.1
61.98719	100.0
70.13113	3.7
107.18270	1.0
147.66899	1.0
194.81256	0.9
455.96613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93896	0.5
59.01291	3.1
59.01530	0.6
60.06016	0.5
61.98719	100.0
71.59029	1.0
78.95798	34.4
87.00764	0.5
96.96889	2.0
117.76734	0.5
136.46318	0.5
152.99513	7.1
153.88173	0.5
171.00583	7.5
171.01904	0.7
478.29565	22.0
479.30334	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	479.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97444	0.2
55.01770	0.4
57.03334	0.8
58.00488	0.2
59.01270	7.2
61.98718	1.6
63.02284	1.2
65.00204	1.4
69.03337	0.8
70.05073	0.2
70.73933	0.5
71.01271	7.4
71.04897	0.2
72.01591	0.2
72.99197	0.5
73.02831	2.3
75.00761	0.7
78.95786	0.6
81.03352	0.2
83.01284	2.1
85.02847	4.1
85.99968	0.2
87.00789	0.9
89.02338	2.2
89.76176	0.2
93.03371	1.1
95.01286	0.8
96.95891	0.3
96.96873	0.2
97.02854	0.4
99.00785	0.9
99.04413	0.3
101.01698	0.4
101.02351	5.3
107.01299	2.4
107.04912	0.4
108.02109	0.3
109.02861	2.1
111.00802	0.9
113.01615	0.3
113.02349	3.5
113.03069	0.3
115.03915	0.6
117.03356	0.2
119.01295	0.4
119.03417	0.7
119.04919	0.2
121.02862	0.8
125.02383	0.6
129.01852	0.3
131.03456	0.3
131.04932	0.3
132.02113	0.3
133.02882	3.2
134.03685	0.4
135.00836	0.6
135.04451	8.8
136.04778	0.4
137.02377	1.0
143.03500	0.2
143.04950	1.3
145.02907	0.8
147.00830	0.4
147.04440	0.4
149.02426	0.3
149.04488	0.3
151.00308	4.2
151.03954	0.2
152.99501	0.6
153.01891	0.6
155.03403	0.2
155.04955	0.7
157.02922	0.9
159.03044	0.3
159.04344	0.3
161.02393	2.3
161.04488	1.5
163.00290	0.6
163.03955	0.5
168.28404	0.2
169.02815	0.3
171.04483	2.8
172.04942	0.2
173.02380	0.7
173.04533	0.7
174.03000	0.3
175.03949	1.9
177.01874	0.3
178.99840	0.8
179.03468	5.8
180.03772	0.4
182.03728	0.2
183.04474	0.6
185.00810	0.3
185.02438	0.6
185.15492	0.3
187.03960	1.6
189.05437	0.4
191.05527	1.2
197.02394	0.9
198.03166	0.7
199.03989	7.6
200.04388	0.5
201.01949	2.6
203.03503	0.7
211.03969	0.4
213.01791	0.3
214.02745	0.4
215.03500	2.9
216.04015	0.3
225.01945	0.3
226.02736	2.1
227.03497	4.8
228.03877	0.4
229.01384	0.3
242.02217	0.8
242.05896	0.2
243.03021	7.7
244.03401	0.5
254.02260	0.7
255.03024	2.8
257.08194	0.3
261.04620	0.2
271.02536	58.6
272.02914	4.4
299.02029	100.0
300.02554	14.1
300.06189	0.4
301.03543	3.3
315.25616	0.2
316.25342	0.2
317.26971	0.8
321.20746	0.4
321.73322	0.2
339.49457	0.2
365.19595	0.2
478.24390	0.3
478.31207	2.2
479.22076	3.2
479.32315	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	478.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84851	1.7
53.40079	1.8
54.12682	1.9
59.01264	99.7
60.01605	9.7
61.01688	12.9
61.98718	100.0
69.03316	2.9
71.01248	2.7
71.49726	4.0
78.95803	6.7
81.03342	6.4
82.44853	1.8
85.02868	2.2
93.03315	2.9
99.04407	12.2
99.21195	2.0
123.49594	1.8
126.18714	2.0
133.02882	2.2
135.04413	2.6
152.99541	1.8
161.02338	2.9
191.05594	3.3
194.97556	1.9
210.84381	1.8
254.57225	2.1
281.23920	3.8
286.51984	2.0
299.01944	9.1
304.07007	2.8
318.21964	2.7
335.22299	5.7
336.22610	13.7
349.27545	6.6
401.27188	2.4
417.26233	3.9
418.26764	19.8
469.73181	2.0
478.20709	7.0
478.28070	2.7
478.70450	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	478.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17807	0.6
59.00992	1.0
59.01266	15.0
60.01587	2.2
61.00062	0.6
61.01682	2.6
61.98716	20.4
64.87331	0.6
68.83628	0.6
69.42249	2.5
69.42673	3.3
70.82885	0.7
78.95796	35.8
83.43392	0.7
96.96875	1.8
99.04423	2.8
113.10935	0.6
136.48480	0.6
140.01117	1.7
152.99532	7.4
171.00598	6.8
191.05507	1.0
196.03757	1.6
196.19957	0.6
214.04828	2.6
268.20053	0.6
281.24918	100.0
282.25281	10.4
318.21753	0.9
391.52032	0.7
404.25967	0.8
417.26605	1.6
418.26859	7.3
419.27191	1.2
478.29510	31.8
479.29895	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34138	0.2
55.01756	0.3
55.51692	0.2
57.03341	0.2
59.01265	56.5
60.01607	0.7
61.98721	1.0
71.01266	2.6
71.04923	0.9
71.56148	0.3
72.99184	0.6
73.02846	0.7
78.95794	0.3
83.01263	0.3
85.02834	1.4
87.00784	0.9
87.04382	0.2
89.02348	0.7
91.03918	2.2
93.03382	0.5
95.01299	0.3
99.00800	0.3
99.04424	2.6
99.08077	0.7
100.04745	0.3
101.02372	1.8
105.03359	0.5
105.28646	0.2
113.02384	1.0
115.03902	0.2
117.03368	0.9
121.02895	0.3
123.04450	0.3
125.02431	0.3
132.02055	1.3
133.02881	28.1
134.03278	1.3
135.03419	0.5
135.04446	7.7
136.04776	0.5
137.02385	0.7
143.03453	0.3
145.02853	0.3
151.84686	0.2
160.29941	0.2
161.02391	100.0
162.02721	6.5
163.02892	0.5
163.58678	0.2
171.10205	0.4
173.04439	0.3
174.06937	0.2
179.03452	4.6
180.03841	0.3
191.05464	0.5
193.12308	0.9
225.14987	2.1
243.16008	0.9
275.26474	0.2
290.87473	0.2
293.21408	0.3
299.02258	0.3
309.20770	0.4
343.24957	19.8
344.25296	2.1
417.22906	0.4
433.22244	0.3
435.23929	0.3
477.21353	56.7
478.21692	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	478.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26892	0.4
59.01267	12.8
60.01606	1.5
61.98720	100.0
71.14121	0.4
71.57848	0.6
96.39753	0.4
98.25738	0.4
99.04437	1.4
101.05990	0.5
217.00409	0.6
249.62991	0.5
267.37491	0.4
418.20563	0.5
418.26932	1.8
464.35147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	7.9
60.01597	0.9
61.01699	0.9
61.98717	100.0
71.59831	0.4
75.49017	0.3
78.95806	1.2
80.96231	0.5
81.52625	0.4
87.00806	0.4
96.14314	0.4
99.04434	1.7
133.02826	0.5
152.99571	0.4
158.91020	0.4
256.18411	0.4
278.21915	0.4
279.22491	0.4
293.21265	1.0
381.53366	0.4
418.26630	1.6
500.16495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	5.7
60.01597	0.9
61.01686	0.6
61.98718	100.0
71.06849	0.3
71.57067	0.5
78.95782	2.1
79.14468	0.3
85.28500	0.3
90.58773	0.3
99.04424	8.8
100.04763	1.6
125.09632	0.4
133.74294	0.3
152.99519	0.8
171.00623	0.3
210.96638	0.8
234.02644	0.3
242.07826	0.3
253.21846	0.4
345.88272	0.3
378.94672	0.3
418.26617	1.8
478.29279	0.6
479.09192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68280	0.2
55.01773	0.2
56.97905	0.2
57.03358	0.3
59.01265	59.1
60.01599	1.0
61.98719	0.9
69.03327	0.3
69.41790	1.7
69.42204	0.4
71.01273	1.9
71.04927	1.2
72.99203	0.3
73.02834	0.8
78.95797	0.5
83.01305	0.3
83.04944	0.3
85.02834	1.4
87.00763	1.3
88.30927	0.2
89.02346	0.8
91.03910	1.9
95.01304	0.4
98.20538	0.4
99.04415	2.8
99.08059	0.7
101.02374	1.3
105.03323	0.4
111.00788	0.3
113.02419	1.0
114.29742	0.2
115.03954	0.6
117.03390	0.8
123.04462	0.2
125.02415	0.3
132.02116	1.1
133.02881	29.5
134.03273	1.4
135.04453	7.9
136.04768	0.4
137.02351	0.6
139.03986	0.3
143.03429	0.5
145.02942	0.2
160.01575	0.3
161.02388	100.0
162.02722	6.1
163.02852	0.5
163.04097	0.3
171.10233	0.5
178.02672	0.2
179.03468	5.2
180.03801	0.5
191.05624	0.5
193.12299	1.2
197.11897	0.3
211.13370	0.2
225.14998	2.8
243.16084	0.8
271.02441	0.3
272.39017	0.2
293.21194	0.3
333.33478	0.2
343.24960	22.5
344.25308	2.3
417.22684	0.4
433.22244	0.4
459.82938	0.2
477.21359	59.0
478.21704	11.2
487.13364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64591	2.2
59.01267	14.9
69.03360	4.1
70.09264	12.1
78.95798	4.4
83.04928	5.0
99.04425	19.7
101.22591	2.7
147.15575	2.6
183.21310	2.4
240.54437	2.6
244.88297	2.4
317.21295	9.6
335.22333	3.0
417.26599	100.0
418.26923	18.6
442.32916	3.1
478.29395	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	477.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.3
57.03328	0.4
59.01265	100.0
60.01604	1.2
61.98721	1.3
63.09093	0.2
67.01754	0.3
69.03345	0.4
70.62381	0.9
71.01274	1.4
71.04902	0.5
72.99194	0.3
73.02827	0.4
77.56017	0.3
78.46691	0.2
78.95801	1.0
83.01273	0.4
85.02829	1.8
87.00793	0.8
89.02344	0.7
91.03902	3.9
97.02850	0.2
99.04453	1.1
99.08064	0.6
101.02368	0.4
101.05991	0.3
109.06564	0.3
110.98450	0.5
111.08077	0.8
113.02362	1.2
113.09656	2.6
115.03957	0.7
121.02924	0.3
125.09608	0.3
131.03416	0.5
132.02141	0.3
133.02885	2.5
134.03185	0.3
135.04442	1.0
145.02881	0.5
152.99524	0.3
157.93443	0.2
161.02403	7.6
162.02715	2.1
163.02924	0.7
163.11261	0.3
167.01112	0.4
171.10237	2.9
172.10660	0.3
179.03473	0.6
185.02219	0.5
186.28271	0.3
191.05533	0.4
193.12361	1.9
197.11813	3.2
211.13368	0.9
213.14955	2.9
214.15424	0.3
225.14978	2.7
230.31236	0.3
243.16019	1.0
263.07806	0.6
291.19742	1.0
293.21341	0.5
299.01913	0.3
309.20749	3.8
310.21158	0.4
311.22592	0.4
343.24948	36.6
344.25299	4.4
433.22308	0.4
476.13773	0.3
477.11502	0.5
477.22238	9.2
478.22736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80078	1.1
54.63866	1.2
59.01267	27.4
59.98413	4.2
60.01575	1.6
61.98721	22.1
64.38203	1.0
70.63588	1.1
70.63912	2.8
71.38095	1.1
71.70755	1.2
73.48391	1.0
77.45779	1.1
86.15722	1.0
87.55736	1.2
96.34450	1.1
98.20361	1.4
99.04417	28.5
101.05984	4.0
105.07001	1.1
118.64111	1.1
121.02870	4.4
121.06496	1.3
160.84106	1.5
201.12868	3.2
203.14334	8.5
205.16037	1.2
219.13927	2.4
253.21822	1.3
271.20645	2.1
289.21829	1.9
313.07135	2.4
317.21371	4.2
335.22379	1.7
358.38110	1.2
373.27597	14.1
374.27966	3.5
384.10364	1.2
417.26547	100.0
418.26901	18.0
477.21713	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	477.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01049	0.5
59.01273	6.0
64.25879	0.5
64.87595	0.6
71.09582	0.7
71.09936	0.6
73.74278	0.4
99.04425	100.0
100.04765	2.3
142.17705	0.5
168.65588	0.5
191.63187	0.5
219.13954	1.4
244.27725	0.4
252.06845	0.5
273.22324	0.4
317.21289	7.4
318.21429	1.0
370.27713	0.5
373.27802	0.6
417.26569	13.9
418.26801	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24324	0.3
51.59286	0.4
56.90282	0.4
59.01263	100.0
60.01598	1.4
61.98719	1.0
62.87331	0.4
70.90625	1.3
78.95796	16.1
96.96880	1.2
99.04418	7.2
112.48801	0.4
130.54506	0.3
152.99501	2.5
171.00574	3.2
251.56116	0.4
259.63873	0.4
279.23434	1.8
281.24762	1.9
312.45038	0.4
415.04102	0.4
417.26630	2.4
478.29477	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	477.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01600	1.2
64.25782	0.2
71.01276	0.8
71.35779	0.3
73.02850	0.5
76.67571	0.2
83.01286	0.3
85.02814	0.3
87.00778	0.2
89.02349	0.4
93.59331	0.2
99.04424	0.2
101.02370	0.7
109.02890	0.2
113.02403	0.4
126.85821	0.2
135.04478	0.2
140.83476	0.2
153.01924	0.4
161.02496	0.2
180.97310	0.2
182.83838	0.2
191.05722	0.3
213.86073	0.2
264.02219	0.2
322.71796	0.2
326.58594	0.2
346.28665	0.2
375.23999	0.3
384.98438	0.2
417.25183	0.4
477.10513	0.3
477.28134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.3
57.03347	2.1
57.84533	0.5
58.00483	0.8
59.01268	100.0
60.01603	2.5
61.98729	2.7
69.03350	1.0
71.01273	32.7
72.01624	0.9
72.99221	1.8
73.02841	7.4
75.00753	0.9
83.01284	3.1
85.02850	12.7
85.03353	0.7
86.49630	0.5
87.00795	1.9
89.02343	22.9
93.03384	1.6
95.01309	1.9
97.02865	1.2
99.00785	7.1
99.04432	1.2
101.02354	24.7
102.02750	0.6
113.02363	12.2
114.02686	0.6
117.03406	0.6
118.67198	0.5
118.97995	1.0
119.03433	5.3
119.04916	0.8
125.02415	1.8
129.01871	0.6
131.03453	3.0
135.04456	0.6
137.02263	0.4
143.03418	2.3
145.02963	1.7
149.04503	9.4
159.02959	1.7
160.07498	0.4
161.04509	17.0
161.05830	1.1
163.03999	2.1
165.12828	0.7
173.04532	1.2
178.06360	1.9
179.05579	2.9
183.13866	1.0
186.33727	0.6
191.05579	6.5
192.05931	1.0
193.06143	1.0
193.08740	2.9
211.13438	0.5
221.06778	0.6
237.93370	0.6
249.06265	0.9
251.07660	0.6
255.19737	1.5
267.07153	1.0
292.21100	0.5
417.25061	49.6
418.25421	7.7
418.30447	0.6
477.20706	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36274	0.4
55.01779	1.8
57.03342	1.8
58.00483	1.2
59.01269	100.0
60.01611	1.1
61.98720	2.2
62.93710	0.5
63.63670	0.4
69.03348	0.8
69.46938	4.5
71.01274	40.3
71.17457	0.5
72.01620	0.6
72.99210	1.5
73.02846	8.7
75.00764	0.9
81.03364	0.5
83.01287	4.2
85.02849	13.5
86.03212	0.5
87.00755	2.7
87.04417	0.9
89.02344	21.7
93.03356	1.1
95.01287	3.1
97.02880	1.5
99.00799	3.8
101.02351	28.3
109.02886	0.8
113.02364	16.5
118.98022	2.0
119.03423	8.8
125.02406	1.5
129.01894	0.8
131.03467	1.4
143.03421	3.8
149.04500	1.3
151.00354	0.9
159.02937	2.8
161.04514	22.3
162.04881	0.6
163.04065	1.0
173.04594	0.5
179.05597	6.6
183.13939	0.6
191.05643	1.7
205.03569	0.7
221.06873	0.7
255.19785	1.4
260.03265	0.5
333.20654	1.0
340.51419	0.6
415.10474	0.9
417.25043	53.6
418.25381	6.6
433.20584	0.7
459.19553	0.6
469.49344	0.5
477.20407	2.5
477.25888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	36.9
59.98410	3.3
60.01607	2.8
61.01662	1.5
61.98719	4.8
65.76995	1.0
69.87303	7.0
78.95805	14.2
83.04930	1.8
99.04426	36.6
99.99593	1.3
100.04768	1.2
101.06003	3.6
105.07013	1.9
121.06501	1.7
152.99533	2.9
160.84103	1.5
162.83867	7.7
171.00668	2.8
192.54536	1.1
201.12854	4.4
203.14417	12.2
205.16106	1.2
219.13924	3.1
271.20676	2.3
315.19708	5.1
317.21323	4.6
373.27628	16.2
374.27615	2.2
417.26587	100.0
418.26843	14.9
435.27438	1.4
477.22186	2.1
477.28265	9.9
478.03235	1.9
478.28275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01603	1.5
60.54714	0.4
61.98710	2.1
71.01309	0.5
71.04903	0.5
71.59460	0.6
71.59808	0.6
72.99211	0.5
76.96558	0.4
78.95800	2.8
83.01286	1.9
83.04908	0.8
85.02844	80.8
86.03162	2.1
99.04406	2.6
110.98428	1.9
115.03960	0.8
124.01539	0.6
128.51114	0.4
133.02838	0.5
133.94246	0.4
143.73009	0.4
152.99573	0.6
161.02345	1.4
167.01057	0.6
167.37361	0.4
171.10199	1.2
184.77995	0.4
185.02104	1.3
185.11806	0.7
195.13747	0.4
209.11710	1.3
221.31305	0.4
223.13240	0.7
285.74551	0.4
287.19962	0.8
291.16330	0.5
291.19739	7.7
292.19830	1.1
304.77066	0.4
309.20691	1.5
373.23630	2.0
395.25903	0.5
417.22791	6.3
418.22778	0.9
445.93268	0.5
477.09464	0.5
477.21951	3.0
478.63062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.2
56.41551	0.2
57.03351	0.2
58.00480	0.3
59.01266	100.0
60.01608	1.3
61.98718	0.9
69.52634	0.9
69.53064	0.6
71.01273	3.3
72.01623	0.3
72.99215	0.6
73.02844	0.7
75.00758	1.1
78.95831	0.3
83.01309	0.3
85.02855	2.2
87.00777	1.0
89.02328	1.3
93.03365	0.5
95.01288	0.4
98.19808	0.4
99.00771	0.9
101.02370	1.0
111.00787	0.2
113.02356	2.6
113.06021	0.6
117.01906	0.2
119.03433	0.2
120.99551	0.6
125.02354	0.3
126.14718	0.2
129.01848	0.2
131.03400	0.2
133.48192	0.2
134.03677	0.2
145.02896	0.3
149.04506	0.3
161.02322	0.2
161.04471	0.4
163.04001	0.2
163.11200	0.2
165.12790	0.3
175.02451	0.2
191.05598	0.9
193.05022	0.2
210.96289	0.2
211.04247	0.2
225.11259	0.3
227.13043	0.2
243.12256	0.2
249.06157	0.8
267.07297	1.1
268.07544	0.5
269.07813	0.9
375.20123	0.3
382.80893	0.2
417.24756	0.7
445.77487	0.2
459.17792	0.2
477.19211	7.9
478.19284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.2
57.03339	82.8
58.00487	0.9
58.03669	1.2
59.01266	100.0
60.01609	1.1
61.98720	2.2
71.01271	20.3
71.59349	0.7
72.99193	1.1
73.02841	6.8
75.00772	0.6
75.01707	0.5
77.17352	0.5
81.03349	1.3
81.62754	0.4
83.01282	4.4
85.02842	12.1
87.00790	2.1
89.02328	5.9
93.03333	0.7
93.65084	0.5
95.01297	1.3
97.02837	1.1
99.00768	2.5
99.04420	78.6
100.04755	2.5
101.02346	33.1
102.02653	0.6
111.00772	1.4
113.02359	10.4
117.69792	0.5
119.03406	2.1
121.02903	0.6
125.02374	28.8
126.02743	0.8
129.01845	0.7
133.02916	1.0
135.04399	1.0
137.02373	0.9
143.03409	2.8
144.47319	0.5
150.03197	0.7
153.01955	0.6
159.02885	1.7
161.02377	1.6
161.04503	7.5
163.03955	0.6
165.05560	1.0
166.22362	0.6
179.03471	0.7
179.05524	0.9
191.05531	1.3
210.38914	0.5
271.02728	0.6
315.18524	0.9
333.19260	23.8
334.19485	2.4
335.30029	0.6
375.20300	6.1
376.20358	0.7
415.23203	1.2
417.25009	3.5
477.23831	9.3
478.23984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01614	1.6
61.98719	0.9
69.03359	0.6
71.04911	0.4
71.56562	0.4
72.99198	0.6
78.95800	1.7
85.02846	11.0
92.52737	0.4
97.02863	0.4
99.04427	3.0
109.02949	0.4
115.03954	0.5
121.02792	0.3
145.02963	0.4
152.99536	2.0
155.10744	0.5
156.94522	0.3
161.02423	0.7
191.05510	0.4
206.04849	0.4
209.11827	0.4
225.11418	0.4
271.85339	0.4
276.67249	0.3
291.19739	0.9
309.20825	1.5
357.81659	0.3
400.19910	0.3
417.22687	2.8
418.23749	0.4
469.51779	0.3
477.23636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01603	2.7
61.01687	1.1
61.98724	1.5
69.03336	0.3
70.18478	1.0
71.49410	0.2
78.75561	0.2
83.64766	0.2
85.02847	14.5
86.03184	0.3
89.80063	0.2
93.03385	0.4
99.04428	0.7
100.04770	0.2
101.76900	0.2
132.98135	0.4
158.84645	0.5
160.84163	16.1
174.99176	2.2
175.00391	0.2
191.05612	0.2
209.11873	0.3
301.83548	0.2
319.22736	1.1
320.70300	0.2
333.93951	0.2
346.15991	0.2
370.67148	0.2
395.05573	0.2
399.18677	0.4
415.18530	0.4
417.22879	5.0
418.23489	0.7
422.32428	0.2
434.21503	0.4
445.22821	0.2
477.21887	5.4
478.05472	5.9
478.21301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	5.4
55.88079	0.4
57.03336	4.5
58.00479	3.6
59.01267	86.2
60.01579	1.1
61.01694	0.6
61.98724	0.9
69.03335	1.5
69.74736	0.4
71.01273	100.0
72.01620	2.0
72.99200	5.4
73.02837	23.2
73.45285	0.5
74.03180	0.5
75.00771	1.5
78.95803	0.6
83.01281	13.1
84.02063	0.6
85.02847	40.3
86.00008	1.0
86.03174	0.9
87.00777	10.5
89.02339	67.3
90.02676	1.0
93.03352	1.1
95.01296	8.5
97.02869	2.8
99.00780	10.2
99.04465	0.6
101.02349	78.0
102.01860	0.7
102.02692	2.1
107.03374	0.6
111.00831	1.1
113.02359	50.4
114.02689	1.7
117.03414	0.9
118.98027	2.8
119.03421	28.6
119.04828	0.9
120.03742	0.9
121.78557	0.5
125.02359	4.3
129.01865	1.5
131.03427	12.3
143.03438	10.3
145.02881	1.6
149.04509	2.6
159.02939	6.2
161.04509	39.2
162.04861	1.3
163.03905	0.8
179.05576	47.9
180.05914	2.3
191.05594	2.7
205.03511	1.3
221.06674	57.8
222.07001	2.4
249.09187	0.7
263.07767	15.2
313.81607	0.5
315.18076	2.2
339.78409	0.5
388.39691	0.6
417.24890	2.1
477.23529	41.3
478.23877	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	477.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.3
65.00187	0.5
67.04134	0.5
69.57377	2.5
69.57798	1.1
71.01237	0.5
71.76620	0.4
77.25749	0.5
78.95807	1.4
85.02824	0.9
96.96846	0.7
103.93901	0.4
107.01302	1.0
125.02361	0.7
133.02840	0.4
151.00302	2.9
151.03944	0.8
153.01889	0.5
163.00397	0.7
171.04509	0.9
175.03922	0.6
178.99817	0.8
191.78294	0.4
199.04002	5.1
201.01949	1.8
203.03369	0.7
215.03506	4.9
225.01939	0.9
226.02602	1.2
227.03540	4.9
228.03706	0.6
229.01286	0.7
242.02237	12.2
243.03020	55.3
244.03421	3.6
255.02966	1.3
257.01904	0.7
257.04617	14.9
258.04944	1.6
270.01767	15.5
271.02533	54.9
272.02930	4.6
285.04108	27.8
285.06668	0.4
286.04803	10.3
299.02029	12.0
300.02765	7.6
314.04395	58.2
315.04996	14.6
316.05441	1.1
357.06268	1.2
477.10480	100.0
478.10837	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	477.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88057	0.2
56.00008	0.2
57.96610	0.2
59.01273	2.1
63.02288	0.5
65.00214	0.4
69.57495	1.8
71.01266	0.6
73.02821	0.4
78.95797	0.6
83.01267	0.5
85.02827	0.3
96.96880	0.8
98.19865	0.5
101.02324	0.5
107.01295	1.0
113.02298	0.3
121.23161	0.2
124.39128	0.2
125.02352	0.6
151.00284	2.8
153.01822	0.4
164.01035	0.3
169.01399	0.3
171.04489	0.7
178.99817	0.5
187.03964	0.5
188.04759	0.2
196.95007	0.2
197.02547	0.3
199.03995	4.1
200.04269	0.2
201.01979	1.5
202.02684	0.2
203.03500	0.6
204.04167	0.4
212.04834	0.2
215.03511	3.5
216.04018	0.4
218.02075	0.3
225.01953	0.5
226.02730	0.6
227.03500	4.0
228.03934	0.5
229.01347	0.6
233.09520	0.4
242.02196	8.2
243.03004	42.8
244.03409	3.5
254.02103	0.3
255.03021	1.2
257.04602	11.5
258.05042	1.3
270.01746	10.4
270.04675	0.5
271.02521	40.5
272.02887	3.4
285.04117	21.2
286.04764	7.4
287.05280	0.5
293.48428	0.3
299.02060	8.8
300.02768	6.4
301.03168	0.7
313.03488	0.3
314.04388	47.0
315.05051	11.3
316.05508	0.7
357.06250	0.9
402.76251	0.2
423.27551	0.2
477.10477	100.0
478.10834	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	477.2141
Annotation	Divaricin B
Peak:m/z	Relative Intensity
52.05172	0.2
55.01764	0.3
57.03334	0.6
59.01263	5.6
61.98712	0.5
63.96996	0.2
65.84737	0.2
66.84345	0.2
69.03338	0.3
71.01268	1.6
71.04920	0.3
72.99201	0.3
73.02839	0.6
78.95838	0.2
83.01283	0.8
85.02847	1.5
87.00776	0.5
89.02339	0.3
96.83259	0.2
97.02836	0.2
97.06505	0.3
99.00778	0.2
99.04414	2.5
101.02341	1.4
105.03397	0.4
107.04938	0.2
111.00818	0.3
113.02363	1.0
115.03918	0.3
117.03367	0.6
121.02842	0.5
123.04465	0.3
124.01562	0.5
125.02395	0.2
132.02092	1.1
133.02881	26.6
134.03265	0.7
135.04448	6.9
136.04768	0.4
137.02374	0.7
139.03947	0.3
161.02388	100.0
162.02719	4.6
178.02721	0.2
179.03461	5.7
180.03781	0.3
191.05591	0.4
203.14659	0.2
205.66550	0.2
207.13858	0.4
229.57570	0.2
231.13824	0.3
246.00226	0.2
249.14954	0.2
290.93091	0.2
331.19244	0.5
333.20868	0.5
349.20248	0.3
415.96817	0.2
477.21387	71.7
478.21725	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	477.214
Annotation	Divaricin B
Peak:m/z	Relative Intensity
55.01774	0.2
55.15159	0.1
57.01934	0.1
57.03339	0.3
59.01269	1.6
61.98717	0.2
69.93488	0.7
71.01269	1.7
71.04913	0.1
72.99200	0.1
73.02834	0.4
77.03879	0.2
78.95819	0.1
79.02489	0.1
83.01286	0.4
85.02837	1.3
87.00764	0.1
89.02349	0.2
89.03868	0.2
95.01305	0.1
99.00789	0.5
99.04419	0.4
101.02340	1.1
105.03358	0.6
107.04937	0.2
111.00804	0.1
113.02361	0.4
115.01809	0.2
117.03361	0.6
121.02892	0.2
123.04435	0.2
129.01857	0.5
132.02089	1.4
133.02879	32.8
134.03268	1.3
135.04448	9.3
136.04807	0.4
137.02322	0.5
139.03925	0.2
145.02902	0.2
160.01572	0.2
161.02386	100.0
162.02724	5.6
175.03996	0.2
175.89302	0.1
177.04021	0.3
178.02719	0.2
179.03456	6.8
180.03763	0.4
212.60631	0.1
221.38133	0.1
227.03459	0.3
255.02982	0.3
283.02463	0.2
284.03348	0.3
285.04034	0.3
301.59183	0.1
309.20639	0.2
317.26035	0.1
323.07855	0.1
339.07224	1.3
340.99384	0.1
477.21381	57.7
478.21741	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	477.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.3
57.03322	5.8
59.01264	94.2
61.98706	3.7
69.03341	2.6
69.56490	9.9
71.01266	5.1
71.04904	4.5
72.99188	2.0
78.95790	22.3
81.03347	5.2
83.01265	12.2
83.04912	6.7
85.02847	3.1
95.04938	1.5
97.02855	2.6
97.06480	5.2
99.03819	2.0
99.04416	26.8
109.06474	2.8
110.98438	19.5
111.08041	2.1
113.02357	1.3
121.06469	1.3
122.88411	1.3
123.04433	4.1
123.08070	4.7
124.01579	1.4
125.05991	2.2
125.09641	10.9
135.08113	1.8
137.09605	1.4
139.11238	9.3
145.02901	1.8
150.65868	1.2
151.11214	5.8
152.99547	2.6
161.02391	3.0
163.11250	9.9
165.12794	21.4
166.13124	2.2
167.01155	6.3
167.10715	5.5
168.11472	2.5
171.10162	2.6
177.12793	1.5
179.10794	1.5
179.14381	1.4
181.12317	7.6
183.13875	1.7
185.02162	19.5
185.11652	1.3
191.10764	6.7
193.15929	5.2
197.11832	1.6
207.10194	1.9
209.11813	93.6
210.12207	6.4
211.13348	2.5
219.17473	1.5
225.11420	1.3
247.20723	14.4
248.21046	2.9
265.21722	4.1
273.18600	5.7
276.52887	1.3
281.21155	1.8
291.19717	96.9
292.20065	10.5
299.16479	1.6
309.20776	100.0
310.21228	10.6
317.17679	3.5
347.17108	1.8
391.58853	1.3
417.21686	7.3
418.21710	1.6
477.22626	80.6
478.23090	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	477.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.5
55.93746	0.4
57.03339	82.6
57.86644	0.5
58.00476	0.8
58.03673	1.0
59.01267	100.0
60.01603	1.1
61.98706	2.6
63.99131	0.6
68.99682	0.6
69.03355	1.2
70.60723	1.9
71.01272	26.8
71.04911	1.7
72.99189	0.8
73.02836	7.6
75.00790	0.7
77.94151	0.5
81.03342	1.5
83.01285	5.5
83.04890	0.5
85.02848	12.2
86.03155	0.6
87.00792	2.7
89.02338	7.3
93.03352	1.1
95.01295	1.9
97.02844	4.6
99.00773	3.1
99.04421	74.2
100.04773	2.1
101.02349	35.7
102.02679	1.1
102.54484	0.5
111.00779	1.3
113.02361	13.2
115.03894	1.0
119.03404	2.1
119.04974	0.5
125.02371	26.5
126.02689	1.2
129.01840	0.7
133.02870	1.7
135.04446	1.0
137.02313	0.7
143.03435	3.7
145.02867	0.8
150.03134	0.6
152.97025	0.5
152.99503	1.2
159.02951	1.9
161.02444	0.6
161.04510	8.3
163.03909	1.1
171.13864	0.6
173.04381	0.8
177.01813	0.5
179.05482	0.7
191.05583	1.2
191.10686	0.8
233.41573	0.5
265.87222	0.5
303.19577	0.7
315.19089	2.2
333.19138	23.1
334.19693	1.9
375.20346	5.8
389.22949	0.8
415.23251	0.7
417.24768	1.9
477.24780	12.2
478.23773	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	476.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44570	0.2
54.69575	0.2
59.01244	0.4
62.39624	0.2
69.53899	2.1
78.95795	19.5
82.96484	0.2
91.11398	0.2
98.20651	0.3
99.04405	0.6
122.00029	1.0
140.01114	5.1
150.15350	0.3
152.99471	1.6
166.02710	0.3
195.86104	0.3
196.03780	11.0
197.03918	0.3
214.04845	2.8
261.22235	0.5
279.23349	100.0
280.23703	10.3
335.22250	0.5
345.54169	0.3
417.26334	1.5
476.27927	34.7
477.28253	5.1
484.97836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.3
56.04007	0.3
57.03341	3.9
58.03682	0.6
59.01263	20.9
60.01603	1.0
60.68786	0.3
61.01696	0.8
61.98718	0.9
65.03841	1.9
67.01774	1.1
69.03316	0.5
71.01268	6.9
71.04918	0.3
72.99194	0.6
73.02834	3.2
78.95789	3.2
81.03360	0.4
83.01255	1.6
85.02859	2.5
87.00766	1.2
89.02332	2.0
91.01779	1.1
93.03348	2.9
95.01304	0.5
96.95889	0.3
96.96860	2.2
99.00786	0.4
99.04424	3.6
100.04771	1.1
101.02341	4.2
102.02670	0.6
107.04938	0.3
109.02859	35.8
110.03221	1.1
111.08058	0.3
113.02364	2.4
115.03935	0.4
117.03401	0.3
119.03416	0.7
121.02892	0.4
123.04435	0.7
125.02354	1.2
126.02622	0.3
128.47137	0.3
132.02118	0.4
133.02884	8.9
134.03578	0.9
135.00812	8.4
135.04443	7.0
136.01144	0.4
136.05232	0.3
137.02357	4.0
139.03964	2.1
145.02887	0.4
149.05972	0.4
151.00391	0.3
151.03999	0.5
153.01874	100.0
154.02231	3.3
155.07146	0.4
159.04436	0.3
160.01581	0.7
161.02391	23.2
161.04543	1.2
162.02721	1.3
173.04497	1.0
175.03993	0.9
177.01849	0.5
177.05566	0.3
179.03477	3.5
179.05045	0.4
183.13818	0.4
191.05618	1.9
193.15971	0.7
195.06599	2.5
203.03485	0.3
215.05411	0.3
221.04602	0.3
229.23021	0.4
233.09523	2.1
237.14967	1.2
243.03000	1.4
255.16064	1.0
257.04535	0.5
271.02502	2.0
273.17133	1.1
281.06741	4.0
282.06891	0.3
285.04016	1.0
299.02002	1.1
314.04333	2.3
315.07346	6.5
316.07407	0.5
323.07773	1.4
337.09332	1.1
351.07227	0.6
417.21320	1.1
433.11337	2.6
433.20966	0.6
434.11655	0.3
435.22452	1.3
459.13425	0.4
477.09885	17.5
477.23450	19.8
478.10266	2.6
478.24017	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	476.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43106	0.1
59.01260	0.4
69.71646	0.2
71.06710	0.2
71.07071	0.4
71.91464	0.2
78.95793	13.7
96.96862	0.8
98.19915	0.2
99.47668	0.2
122.00084	0.2
123.94555	0.2
140.01105	2.0
152.99522	2.2
171.00569	2.0
196.03743	1.1
205.57144	0.2
209.20407	0.2
214.04837	3.2
257.63937	0.2
261.22137	0.3
262.79037	0.1
279.23340	100.0
280.23691	9.4
476.27933	19.1
477.28195	2.5
498.89728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29480	0.5
51.45562	0.5
54.02952	0.5
57.03049	0.7
57.03341	13.6
58.00470	0.9
59.01264	100.0
60.01604	5.4
61.98717	62.3
69.03338	1.2
71.01270	36.4
71.56741	1.0
72.01625	3.1
72.99206	2.3
73.02835	33.9
74.03157	3.4
75.00771	2.1
75.52444	0.5
81.03344	0.8
83.01276	10.6
84.01595	1.0
85.02841	7.6
87.00787	2.4
89.02338	7.4
90.02702	0.7
93.03362	1.5
95.01295	2.7
95.04959	0.9
96.95901	4.3
97.02848	1.1
99.00795	1.9
99.04419	16.6
100.04745	0.6
101.02347	35.3
102.02667	4.6
105.03391	2.1
109.02874	0.5
111.00760	0.8
111.04434	2.8
113.02353	15.5
114.02681	2.5
119.03410	3.3
123.00830	1.1
123.04401	3.2
125.02382	7.0
128.03476	0.6
131.03441	2.6
133.02876	20.5
134.03688	1.7
135.04448	5.2
137.02385	1.6
143.03436	2.8
146.03218	0.6
149.04500	2.9
153.05550	2.2
155.03459	1.3
159.02899	0.6
161.02426	5.5
161.04488	9.3
162.04881	2.1
173.04480	3.5
177.01895	8.5
178.02686	1.5
179.03474	3.6
179.93216	0.5
183.28131	0.6
191.05553	4.5
269.10455	3.0
303.05154	10.6
311.11661	2.0
323.07849	1.1
332.15546	0.6
351.07285	3.0
351.14487	1.3
413.14639	7.1
414.15109	0.6
415.23111	0.7
416.23862	1.3
476.22183	0.7
477.10785	2.6
477.23920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.271
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
59.01264	100.0
60.01610	0.9
64.54719	0.4
69.03347	0.6
70.01481	0.6
70.01878	1.1
78.64993	0.3
87.08594	0.3
96.43314	0.3
97.02870	0.5
98.20541	0.4
99.04424	6.2
113.02374	0.5
121.06496	0.4
124.01615	1.0
145.02898	2.0
161.02409	0.5
173.04523	0.4
271.02615	0.6
299.01962	0.4
300.02722	0.4
315.19827	0.5
415.25031	5.3
416.25507	1.2
443.20898	0.7
465.98773	0.3
475.27109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2711
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
59.01265	100.0
60.01609	1.4
71.45406	0.6
71.45759	0.6
83.04910	0.5
97.02866	0.9
99.04417	8.0
139.76920	0.4
166.88387	0.4
184.82216	0.4
184.90625	0.4
191.05602	0.5
230.44148	0.4
249.63229	0.5
271.02728	1.3
299.02121	1.2
300.02472	0.8
313.14658	0.7
322.96335	0.4
333.20703	0.5
415.24997	6.5
416.25662	0.8
475.27689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
59.29070	0.6
60.01594	1.1
61.98714	8.9
71.50731	0.6
71.57964	1.0
72.92097	0.5
88.18588	0.5
92.01943	0.6
92.61020	0.6
99.04418	10.6
127.87139	0.6
152.99551	1.5
173.81653	0.5
174.99207	4.1
217.00313	17.8
218.00636	1.9
219.00783	0.7
219.97784	4.9
232.97287	0.5
236.24089	0.5
415.24881	8.2
416.25223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
59.51506	0.1
60.01602	1.3
63.31180	0.1
71.01257	0.6
71.36526	0.2
73.02852	0.5
89.02348	0.4
101.02328	0.8
107.14596	0.1
113.02370	0.4
117.03429	0.2
119.04980	0.4
120.70469	0.1
125.02390	0.2
145.02911	1.3
149.04512	0.1
161.04558	0.2
187.03976	0.2
196.78430	0.1
264.80905	0.1
349.09448	0.2
415.24155	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	475.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	0.3
59.01266	100.0
60.01601	1.5
63.52322	0.1
69.51209	1.3
71.01277	1.3
73.02840	0.4
75.00791	0.1
78.58797	0.2
83.01310	0.2
85.02845	0.7
87.00793	0.2
89.02360	0.4
93.03335	0.3
99.04414	0.2
101.02371	0.6
113.02367	0.5
119.03407	0.2
161.04562	0.6
173.04613	0.2
191.05658	0.6
197.02893	0.2
211.13445	0.4
295.13901	0.4
373.22250	1.2
374.22696	0.2
386.22830	0.2
388.12726	0.1
415.23523	1.3
416.23816	0.2
455.21667	0.2
475.19794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2707
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
59.01268	100.0
60.01615	1.0
63.43107	0.3
69.60338	2.0
69.60764	1.2
78.95798	7.5
78.96214	0.6
99.04430	3.0
113.28313	0.4
129.73869	0.4
145.42262	0.5
152.99567	1.2
171.00679	1.6
221.61363	0.4
226.35895	0.4
278.22235	0.8
415.24866	3.1
416.25510	0.5
475.26855	4.4
476.28009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2713
Annotation	seco-Pseudopterosin I
Peak:m/z	Relative Intensity
53.23022	0.3
54.32253	0.3
59.01267	100.0
60.01608	1.0
71.15602	0.8
71.66309	0.3
78.95811	0.5
99.04423	4.8
154.44678	0.3
252.01523	0.4
317.59601	0.4
415.24969	4.4
416.25528	0.9
475.27371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2712
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
56.61604	1.4
58.94071	1.2
59.01261	23.0
68.27844	1.4
71.36797	2.4
78.95798	46.3
83.04884	1.2
90.44537	1.3
96.96869	3.0
97.06488	1.7
99.04421	46.6
121.06511	37.6
122.06826	2.0
152.99500	5.2
171.00597	5.2
172.00871	1.9
271.20721	6.6
289.21808	7.3
315.19583	8.2
371.25836	4.5
415.24979	100.0
416.25363	18.6
475.26688	25.9
476.27060	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	475.2716
Annotation	seco-Pseudopterosin I
Peak:m/z	Relative Intensity
59.01270	100.0
60.01606	1.2
61.98730	0.5
70.02510	0.9
70.02932	0.8
78.21829	0.3
78.95798	2.5
95.71358	0.3
98.20446	0.5
99.04428	4.7
120.37167	0.3
147.56544	0.3
152.99506	0.6
153.94635	0.3
160.84224	0.4
183.16882	0.4
283.99478	0.3
376.66956	0.4
399.83746	0.3
415.25058	1.8
475.34540	0.5
476.27997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2713
Annotation	seco-Pseudopterosin I
Peak:m/z	Relative Intensity
59.01267	100.0
60.01603	1.3
60.25124	0.1
61.98730	0.4
66.83138	0.2
67.86692	0.2
69.44921	0.4
69.45326	1.3
75.65015	0.1
80.80515	0.1
83.79533	0.2
98.19808	0.3
99.04419	2.1
111.01920	0.2
118.83030	0.2
141.01671	0.2
158.78362	0.2
171.10292	0.2
191.05766	0.2
209.73621	0.2
248.40312	0.2
277.24176	0.2
315.19861	0.3
318.20029	0.2
333.20715	0.2
385.65692	0.2
393.22397	0.4
405.03244	0.2
415.24887	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88468	0.4
55.01780	0.4
57.03349	1.6
58.00477	0.9
59.01268	100.0
60.01607	1.4
64.34716	0.4
67.01789	0.6
69.03352	1.3
71.01275	33.5
71.56903	0.4
71.57313	0.6
72.01626	0.6
72.99210	1.7
73.02839	35.0
74.03188	0.6
74.62666	0.4
75.00780	1.2
78.95788	5.4
82.32227	0.4
83.01282	9.8
83.33626	0.5
85.02848	9.0
87.00796	1.4
87.02358	0.4
89.02340	10.7
93.03359	1.6
95.01287	2.6
96.96867	3.9
97.02864	0.8
99.00768	2.2
99.04440	1.2
101.02351	32.5
102.02683	0.8
103.00273	0.5
109.02911	0.5
113.02363	19.5
114.02706	0.9
119.03412	5.0
119.04962	1.5
121.02884	1.1
125.02392	1.4
131.03424	3.5
135.98314	0.7
143.03448	3.6
145.02884	0.6
149.04539	3.1
151.00296	0.5
155.03485	1.1
161.02443	0.6
161.04530	8.6
161.05823	0.6
163.03999	1.5
173.04611	1.5
175.02487	0.9
175.03943	0.5
179.05659	1.7
191.05576	5.2
192.05989	0.6
198.14333	0.4
203.05620	0.9
207.04230	0.5
211.73965	0.5
221.06723	0.7
225.05939	0.5
233.09444	2.0
249.09296	0.6
265.08682	0.9
284.03326	8.5
284.06146	0.6
285.03668	1.1
299.05692	8.6
300.06219	1.2
300.51169	0.4
415.23523	3.8
433.24539	0.7
475.09296	0.7
475.16296	0.7
475.23248	0.5
476.25610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.6
57.03341	2.9
57.19489	0.2
58.00486	1.1
59.01265	100.0
60.01599	1.4
61.98717	8.9
64.99493	0.2
67.01781	0.3
69.03349	1.6
71.01270	35.6
71.16340	0.4
72.01614	0.4
72.99196	1.5
73.02837	42.4
74.03175	0.5
75.00751	0.9
81.03349	0.7
83.01279	12.5
85.02843	6.3
86.03123	0.3
87.00765	1.4
87.04433	0.2
89.02338	8.9
90.02707	0.3
93.03365	0.5
95.01289	2.2
97.02853	1.3
99.00777	0.7
99.04424	3.3
101.02348	39.9
102.02684	0.9
113.02359	19.3
114.02705	0.6
117.01843	0.3
119.03426	4.1
125.02386	2.6
127.03850	0.2
131.03432	3.6
135.04436	0.3
143.03447	3.9
145.02858	0.6
149.04509	4.5
155.03467	1.2
161.02368	0.6
161.04509	9.7
162.04915	0.3
173.04523	0.4
179.03346	0.3
179.05618	1.3
191.05626	1.8
203.05544	0.8
221.06696	1.3
253.14278	0.2
269.10364	0.5
310.57819	0.2
311.11307	0.4
413.14725	1.2
415.23691	1.4
416.23621	0.3
475.21783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70034	0.2
59.01267	100.0
60.01604	1.3
61.98733	0.6
70.99393	0.6
71.01273	2.6
73.02852	0.8
75.00784	0.6
75.92486	0.2
83.01290	0.4
85.02854	0.9
87.00771	0.3
88.98721	0.4
89.02350	1.7
93.03382	0.5
99.00826	0.4
99.04461	0.3
101.02354	2.4
113.02370	1.6
118.98011	0.5
119.03444	1.0
119.04972	0.3
127.67584	0.2
135.04477	0.7
137.02399	0.3
161.04555	0.9
163.04076	0.3
173.04616	0.5
179.03476	0.3
179.05634	0.3
191.05583	1.4
196.69063	0.2
197.81015	0.2
211.17216	0.2
227.58636	0.2
355.21487	0.7
373.22391	2.9
374.22940	0.5
415.23508	4.9
416.24246	0.9
431.23022	0.3
475.25366	1.4
476.26004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76313	0.8
57.03321	1.4
59.01268	44.4
69.03334	1.6
71.01270	15.3
71.57602	1.2
72.99181	2.3
73.02812	3.2
81.03340	1.4
83.01283	1.3
85.02840	15.8
87.00777	1.0
89.02351	1.1
92.63248	0.9
95.01258	1.2
97.02850	16.1
99.00753	1.0
99.04410	7.0
101.02360	5.5
103.40073	0.8
113.02362	25.0
114.02620	1.2
122.03635	1.2
123.04395	1.2
123.54913	0.8
125.02366	2.4
127.07593	4.7
132.02034	1.3
133.02888	29.3
134.03174	1.3
135.04448	8.2
137.02356	1.1
143.03398	2.2
147.04469	2.1
161.02390	100.0
161.04561	2.7
161.09703	0.9
162.02687	4.3
164.07156	4.5
165.19957	0.7
173.04465	1.4
177.05569	0.8
179.03395	5.1
187.11147	0.9
189.12801	15.3
191.05527	2.1
191.07138	3.5
203.14366	1.5
205.08675	9.2
207.10283	2.2
269.19150	3.1
283.17194	2.3
301.18393	1.0
313.18173	55.9
314.18497	7.6
317.90085	0.9
323.20453	0.9
327.19943	0.8
331.19226	53.4
332.19479	6.2
339.28009	0.9
345.20688	1.1
355.19235	2.5
378.82925	1.0
385.20352	2.0
415.25040	3.3
427.21295	1.3
475.19806	60.3
476.20053	8.8
476.30460	8.4
499.87805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
57.03320	0.8
59.01268	52.3
60.00797	0.6
60.01595	1.0
64.18423	0.7
66.52350	0.7
69.03338	1.9
69.59868	4.9
71.01275	11.8
73.02840	11.3
75.00763	1.8
75.07508	0.7
81.03351	1.7
83.01281	3.7
83.04917	1.1
84.92678	0.7
85.02849	10.6
87.00752	1.6
95.01315	0.8
95.04902	0.8
97.02251	1.0
97.02858	14.7
99.00796	0.9
99.04429	1.8
101.02348	38.0
105.01826	1.1
109.02869	1.5
111.04387	1.0
113.02362	19.9
122.03635	3.3
123.00832	0.7
123.08066	0.7
125.02378	4.1
127.07550	2.9
131.03392	2.2
135.04465	1.1
135.08069	1.5
143.03458	2.6
147.02919	3.4
147.08083	1.6
159.08116	1.2
161.04500	2.8
161.09666	1.6
165.09180	1.0
173.09790	1.3
175.07635	1.0
175.11240	1.4
177.09122	1.3
185.09689	0.8
187.11264	2.1
189.05504	1.1
189.12831	27.5
190.13147	1.8
191.05502	1.1
191.07083	7.2
191.10927	0.7
203.10760	2.0
203.14380	1.8
205.08719	16.7
205.12289	4.4
206.09120	1.0
207.10249	2.1
217.08713	1.9
231.14043	1.0
243.13945	1.5
247.09895	1.3
269.19141	6.1
270.19415	0.8
283.17081	3.1
283.20685	0.8
285.18619	0.8
287.20297	1.3
293.19257	2.1
295.16855	1.0
297.18704	1.7
309.18747	1.8
309.22241	1.5
311.20166	6.8
312.20572	1.2
313.18176	100.0
314.18451	12.3
323.20309	1.1
325.18118	3.6
327.19705	0.9
331.19223	37.5
332.19519	7.4
337.18350	2.1
343.19290	1.5
345.20795	2.0
353.17474	1.0
353.21310	1.3
355.19211	21.3
356.19534	3.4
367.19257	1.9
368.19098	0.7
373.20282	11.1
374.20651	2.2
385.20425	1.2
392.94315	0.8
397.20346	3.5
415.21396	2.7
418.18494	0.8
427.21283	0.9
475.23453	9.4
476.23950	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	475.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58613	0.5
54.20564	0.4
55.01772	0.8
56.20897	0.4
57.03337	47.2
58.00470	1.4
58.03665	1.1
59.01266	100.0
60.01606	1.0
61.98713	0.7
63.95268	0.5
65.73940	0.5
68.99706	0.8
69.03345	0.9
71.01271	29.3
71.57240	0.6
72.01639	0.5
72.99192	3.0
73.02834	13.9
75.00761	6.0
78.95804	1.7
79.05440	0.6
81.03361	1.5
83.01273	4.4
83.15675	0.5
84.27848	0.5
85.02847	11.7
87.00764	3.6
89.02341	16.3
93.03373	1.6
95.01273	2.7
95.04941	1.7
96.96870	0.7
97.02810	0.6
97.06485	0.7
99.00793	3.8
99.04418	40.7
100.04771	1.0
101.02349	27.2
102.02648	0.8
103.00284	0.8
109.02831	0.7
113.02356	18.6
113.05972	1.1
115.00308	0.9
117.01822	0.9
119.03439	5.8
119.04940	1.0
123.04447	4.5
125.01453	0.7
125.02372	14.1
129.01871	0.6
131.03400	1.8
133.02859	1.0
135.04474	0.7
141.05472	1.1
143.03452	3.9
145.02939	1.1
149.04498	2.4
153.05478	0.8
155.03343	0.7
159.02925	0.5
161.02390	1.0
161.04491	8.1
163.11235	2.8
173.04549	0.8
175.02495	0.8
179.05611	4.6
181.12289	1.2
191.05585	5.9
192.05920	1.0
221.06561	0.7
225.11295	5.1
226.11732	0.6
249.06143	3.3
250.06378	0.6
267.07269	11.4
268.07410	0.8
271.05972	0.6
299.14914	1.4
331.17551	1.4
357.08685	0.6
373.18536	0.8
415.23611	5.1
475.18008	24.8
476.18301	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59693	0.2
57.03322	0.3
57.47005	0.2
58.31044	0.2
59.01263	100.0
60.01603	0.9
69.30166	2.2
71.01270	1.8
72.99233	0.2
73.02837	0.7
75.00742	0.3
83.01269	0.3
85.02836	1.2
89.02352	0.6
94.01624	0.2
97.02905	0.2
98.20558	0.4
99.00821	0.3
99.04433	0.9
101.02345	1.5
109.02839	0.2
113.02363	0.8
119.03443	0.2
119.04941	0.3
125.02399	0.3
135.04453	0.2
135.64284	0.2
161.02397	0.8
161.04538	1.2
179.03473	0.3
191.05627	0.6
212.61421	0.2
235.17119	0.5
247.53143	0.2
338.10461	0.2
373.18799	0.6
415.24167	0.8
433.24393	0.5
475.25455	2.1
476.26440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63713	0.5
55.01796	0.5
55.74790	0.4
57.03337	45.8
58.00473	1.2
58.03677	1.2
58.39058	0.4
59.01264	100.0
60.01601	1.7
69.30970	4.9
71.01273	15.6
72.99209	1.1
73.02830	11.3
81.03342	0.8
83.01277	4.2
85.02843	4.4
87.00780	1.2
89.02334	12.3
95.01301	0.7
97.06503	0.9
99.04416	36.8
100.04774	1.3
101.02345	23.5
113.02361	8.5
113.06028	1.3
119.03419	5.6
123.04428	5.0
123.57905	0.4
124.04778	0.5
125.02357	13.8
131.03448	1.5
133.02888	0.5
137.02425	1.4
141.05547	1.2
143.03423	3.1
149.04527	2.0
153.05554	0.8
161.02420	1.0
161.04507	5.9
170.17625	0.4
179.05591	3.9
191.05653	1.6
192.30608	0.5
211.13368	5.1
221.06732	1.3
249.06216	0.5
259.69461	0.4
263.07721	1.1
304.04477	0.4
313.16586	0.6
331.17920	1.5
373.18750	0.8
415.23630	2.3
475.21994	6.3
476.22372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.5
57.47019	0.3
59.01264	100.0
60.01598	1.2
68.25063	0.3
69.25976	2.9
69.26261	0.2
71.01265	3.3
72.92622	0.2
72.99203	0.7
73.02837	0.7
74.61564	0.2
82.05383	0.2
83.01279	0.3
85.02825	1.3
87.69201	0.2
89.02328	1.6
89.70707	0.2
99.00787	0.3
99.04417	2.2
101.02338	2.5
111.00814	0.4
113.02364	1.2
119.03435	0.8
125.02367	0.7
145.02821	0.3
161.02449	0.5
161.04507	1.1
161.96652	0.3
173.04582	0.4
179.05623	0.6
190.76892	0.3
191.05614	0.7
195.06674	0.4
196.06963	0.4
197.07201	0.3
275.61136	0.3
278.75906	0.3
295.64542	0.3
311.02063	0.2
313.18329	0.4
331.17737	0.4
373.18826	0.8
412.77872	0.3
415.24005	1.4
416.23663	0.4
475.21689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03339	43.4
58.00480	1.8
58.03669	0.6
59.01265	100.0
60.01587	1.4
61.14644	0.5
61.98724	1.4
69.03346	0.7
71.01271	21.7
71.01672	1.1
71.04856	0.5
71.55756	0.6
72.99200	1.5
73.02839	11.6
73.20536	0.5
75.00769	0.7
81.03370	1.0
83.01268	3.3
85.02848	5.1
86.01038	0.5
87.00810	1.9
89.02339	13.0
89.09396	0.5
93.03388	1.0
95.01299	1.4
97.06547	0.6
99.00766	0.9
99.04419	38.3
100.04789	0.8
101.02347	23.3
102.02737	0.6
108.98342	0.5
109.02902	0.6
113.02349	9.0
113.06005	0.7
116.92782	1.4
119.03437	4.7
121.02872	3.9
123.04440	3.7
125.02364	18.1
126.02613	0.6
131.03468	1.9
133.02844	4.0
134.03247	0.9
135.04474	1.8
141.05560	0.7
143.03398	3.1
145.02895	1.4
149.04507	2.0
150.06886	0.7
153.05602	0.7
155.03490	0.6
161.02399	6.7
161.04494	5.7
162.02692	3.6
163.02982	1.4
164.08377	18.2
165.08774	0.8
179.03542	1.2
179.05540	3.9
191.05588	8.7
221.06607	1.3
261.09851	0.5
299.02444	0.6
313.16757	1.2
331.17645	6.4
373.18759	2.6
374.18924	0.8
415.23837	3.6
431.17480	1.7
475.15601	4.7
475.22241	4.1
476.22806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
56.93174	0.4
57.03336	54.1
58.00486	1.1
58.03665	1.0
59.01263	100.0
60.01584	1.2
61.09998	0.6
69.03348	0.8
69.45640	3.7
71.01268	16.3
72.99226	0.6
73.02834	10.1
81.03340	0.7
83.01277	4.8
85.02849	2.6
87.00775	1.1
89.02335	12.2
90.02673	0.5
92.66774	0.4
95.01315	0.7
97.02866	0.6
97.06482	0.6
98.20615	1.0
99.00796	0.6
99.04417	39.6
100.04750	0.7
101.02344	23.9
102.02681	0.5
113.02355	7.4
113.05994	0.9
117.07796	0.6
119.03413	5.3
123.04444	5.6
125.02363	15.0
125.03230	1.0
131.03433	1.6
137.02376	4.7
141.05550	1.2
143.03442	2.9
149.04486	2.7
153.05528	0.7
161.04515	6.9
179.05554	5.0
191.05618	1.5
192.43390	0.5
221.06789	1.4
243.81833	0.5
331.17764	1.7
373.18756	0.6
399.31137	0.5
415.23676	1.3
475.21591	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	475.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05662	0.4
55.01776	0.4
57.03337	85.1
58.00464	0.6
58.03673	1.1
59.01265	100.0
60.01616	1.4
67.01752	0.5
69.42021	0.9
69.42433	3.8
71.01273	16.1
72.99197	0.7
73.02833	4.9
75.00771	0.5
77.27659	0.4
78.95802	2.0
81.03358	0.9
83.01283	2.5
85.02840	4.2
87.00774	1.5
89.02334	12.0
93.03367	1.7
95.01283	1.1
96.96881	1.8
98.20547	0.6
99.00803	0.8
99.04418	77.0
100.04742	2.1
101.02345	24.6
102.02673	0.5
109.02879	0.4
113.02367	6.0
114.02735	0.4
118.74046	0.4
119.03442	5.2
123.04414	0.7
125.02371	23.0
126.02700	0.6
128.10374	0.5
131.03426	0.5
131.76012	0.4
135.04443	0.6
137.02365	0.6
143.03438	4.2
145.02844	0.6
146.98911	0.5
149.04456	0.9
153.01808	0.8
159.02945	0.4
161.02425	0.6
161.04514	4.0
162.09038	0.5
173.04475	0.9
179.05582	5.2
186.24115	0.4
191.05579	1.5
227.28859	0.4
233.09418	1.4
252.11121	0.5
331.17679	5.6
332.17761	1.0
336.81744	0.5
373.18710	4.0
374.18930	0.6
413.21899	1.2
415.23672	2.9
475.21887	13.4
476.22101	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2131
Annotation	Fuscaxanthone A
Peak:m/z	Relative Intensity
51.59185	1.0
52.48203	1.0
57.03320	2.4
58.02856	7.1
59.01265	71.6
61.98698	1.7
64.96806	1.1
70.02851	1.2
71.01267	9.1
71.58395	2.1
73.02821	3.5
74.02363	11.3
75.00723	1.2
78.95787	5.0
81.13187	1.0
82.02901	1.5
82.37122	1.0
83.01252	3.5
83.04919	1.4
85.02852	6.8
85.03960	2.0
86.05960	1.3
87.00761	3.1
89.02309	3.4
93.03355	19.2
94.03683	1.4
95.01264	1.8
96.04449	9.3
96.95905	6.1
96.96831	2.6
97.02879	1.1
97.03965	7.5
97.06448	1.7
98.02381	6.0
98.06013	1.1
98.95477	6.8
98.96058	0.9
98.96278	0.9
99.00777	2.3
99.04417	2.5
99.05540	13.4
99.92479	6.7
100.00299	2.5
100.93259	1.2
101.02351	6.5
108.03916	0.9
108.04466	9.4
109.03981	2.1
110.02360	2.3
110.06013	1.4
112.03963	10.4
112.07598	11.3
113.02331	3.6
113.03493	6.5
115.91226	1.5
115.91994	17.3
116.01651	1.4
116.92776	17.1
117.03340	2.0
118.97994	2.6
119.03378	1.9
119.04912	3.6
122.06036	3.0
124.03955	9.3
125.03468	2.8
125.04730	4.4
126.05527	2.2
127.05067	11.4
127.08681	1.6
133.02835	1.2
134.03592	1.6
137.01408	1.7
137.02380	26.0
137.07138	6.4
138.05493	3.1
140.07100	15.9
143.04538	2.9
145.02869	2.9
150.04274	1.9
152.03427	4.7
155.03357	1.9
155.08192	23.4
160.01543	1.9
161.02347	1.3
161.04509	1.9
163.03934	3.6
165.05363	1.1
165.06653	18.5
166.05035	2.1
166.06972	1.3
173.04562	5.6
183.07729	34.4
184.07983	2.4
191.03983	1.8
191.05588	25.2
192.05908	1.8
193.04970	1.3
208.51535	1.0
209.05632	2.3
211.13438	1.4
213.15012	6.7
225.05173	3.0
227.06737	100.0
228.07118	6.0
240.08180	1.1
247.13753	12.0
253.05014	1.2
267.07263	1.2
269.12927	2.5
269.62784	1.1
285.87405	1.1
297.07941	1.8
415.23453	6.3
439.10541	8.7
440.10593	1.4
475.12872	10.7
475.21179	93.4
476.13339	3.1
476.21616	14.7
476.32013	2.5
476.66611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	2.0
58.00475	1.2
58.02862	5.0
58.74455	1.1
59.01267	100.0
60.01593	2.1
61.98716	1.5
67.01776	1.0
69.03344	1.8
71.01275	18.0
71.04930	0.9
71.61197	1.5
72.99207	1.5
73.02850	8.2
74.02361	6.4
78.95803	3.0
82.02871	1.9
83.01283	5.8
83.04912	1.4
85.02841	9.7
86.02333	1.2
86.03162	1.0
87.00784	3.1
89.02343	9.7
93.03358	5.4
95.01257	1.3
96.04466	6.8
96.95921	2.3
97.02845	1.3
97.03969	7.1
98.02391	2.4
99.00777	2.2
99.04449	2.7
99.05537	9.0
100.00336	1.5
100.92407	1.1
101.02361	14.5
108.04458	6.6
109.03989	2.5
110.02380	3.3
111.00826	1.0
111.04454	1.1
112.03975	7.4
112.07594	8.3
113.02361	9.7
113.03478	4.3
117.03363	1.4
118.97980	2.0
119.03403	3.1
119.04929	2.4
122.06034	3.0
124.04008	5.4
124.04801	1.0
125.02406	2.0
125.03450	1.9
125.04759	2.7
126.05463	1.2
127.05083	7.6
132.68944	1.1
134.03624	1.0
135.04486	2.4
137.02414	2.3
137.07137	3.7
138.05498	1.3
140.07127	10.4
143.03471	1.6
143.04567	3.0
145.02899	2.1
147.04475	1.1
152.03499	3.9
155.08208	16.9
159.02962	0.9
161.02339	1.1
161.04550	6.5
163.03929	1.7
165.06654	13.5
166.05045	2.0
173.04527	2.8
179.05586	2.1
181.06189	1.4
183.07730	26.0
184.08026	1.3
188.57417	1.0
191.05624	11.9
192.05923	1.2
199.11369	1.0
203.45952	1.0
209.05670	2.7
213.14934	4.3
225.05289	1.3
227.06743	68.1
228.07077	3.5
229.04366	2.0
247.13824	7.0
253.18002	1.7
271.19241	2.1
274.05612	1.0
301.09503	1.2
345.13986	1.6
415.23486	12.9
416.23804	1.9
433.24524	6.1
434.24579	1.0
457.24161	1.4
475.20432	48.0
475.26324	9.2
476.20419	6.4
476.26807	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1983
Annotation	Toonaciliatin G
Peak:m/z	Relative Intensity
54.82754	0.1
55.01768	0.3
56.64470	0.1
57.03335	0.4
59.01266	7.0
60.01604	0.1
61.98744	0.1
63.80877	0.1
65.28651	0.1
69.03350	0.3
71.01271	3.5
71.59436	0.2
71.59801	0.1
72.00811	0.2
73.02847	0.8
76.58196	0.1
77.03880	0.1
78.95796	0.2
83.01282	0.7
85.02839	2.6
86.13154	0.2
87.00801	0.2
89.02341	0.3
89.03864	0.2
95.01319	0.2
95.04922	0.3
97.02841	1.9
97.06521	0.2
99.00767	0.3
99.04436	0.9
101.02345	1.5
105.03350	0.3
107.04934	0.2
109.02835	0.3
110.98419	0.2
111.04393	0.1
113.02360	3.4
113.06045	0.2
117.03385	0.6
120.17595	0.2
121.02869	0.2
123.04450	0.3
125.02386	0.3
127.07594	0.6
132.02068	1.3
132.02835	0.1
133.02884	29.4
134.03262	1.2
135.04451	8.9
136.04774	0.3
137.02365	0.4
139.03897	0.2
143.03450	0.2
147.04485	0.9
151.11226	0.3
161.02391	100.0
162.02733	5.3
163.11313	0.1
164.07124	2.4
177.05508	0.4
178.02684	0.2
179.03459	6.8
179.39430	0.2
180.03835	0.4
185.02187	0.2
189.12843	1.5
191.07104	0.6
203.03458	0.8
205.08678	1.3
207.10220	0.1
209.11765	0.4
210.15007	0.3
221.04585	0.5
245.19189	0.2
269.19009	0.3
281.06558	0.3
283.16995	0.2
287.20285	0.1
289.18179	0.7
307.19263	0.6
313.18167	6.8
314.18616	0.9
320.96509	0.1
323.07642	0.2
331.19226	4.4
332.19470	0.4
355.19226	0.3
373.20132	0.2
385.20169	0.2
415.25137	0.6
427.21140	0.2
475.19833	62.3
476.20120	9.5
476.30292	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13916	0.8
57.03334	1.1
59.01265	100.0
60.01605	1.4
65.67580	1.0
71.01270	35.6
71.56973	1.2
72.99204	2.5
73.02837	11.1
73.17439	0.8
75.79444	0.8
78.95794	1.8
80.88676	1.0
81.03342	1.0
83.01298	2.0
85.02839	7.9
87.00772	3.9
89.02336	40.9
93.03363	2.7
95.01307	2.2
96.95927	3.6
96.96870	1.2
97.02859	0.9
97.74316	0.9
99.00784	15.4
99.04416	3.1
101.02344	23.0
102.02702	1.5
109.02869	1.8
113.02352	9.5
119.03420	5.8
121.02908	1.5
125.02367	2.5
131.03435	7.0
133.02904	1.5
134.03688	0.9
134.06036	1.7
135.04420	1.8
143.03479	1.6
143.70555	0.9
145.02809	2.1
147.04408	1.1
148.04024	1.5
149.04504	26.9
150.04796	1.5
161.02357	2.6
161.04498	9.7
173.04520	2.1
179.03615	0.9
179.05566	3.2
191.03944	1.8
191.05592	18.0
221.06668	2.3
241.03351	1.0
251.07716	2.9
263.48105	1.1
267.07251	2.3
295.10989	1.1
303.20102	1.0
389.18332	1.5
414.84219	1.1
415.16174	22.6
415.23517	16.0
416.16599	3.3
416.23669	1.7
431.19159	5.4
475.16986	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	475.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03336	4.0
58.00444	0.8
59.01266	60.8
60.01612	0.8
67.01796	0.8
69.03333	0.9
69.43826	5.8
70.58787	0.6
71.01271	24.3
72.99205	5.8
73.02833	3.7
75.00358	1.2
75.00764	15.4
80.02576	0.9
83.01284	1.2
85.02845	26.1
85.49676	0.6
86.03190	1.0
87.00781	9.2
89.02337	9.9
91.03880	1.0
93.03345	1.5
95.01292	5.9
95.04943	4.0
97.02853	1.0
99.00790	10.1
99.04400	1.9
101.02358	3.2
103.00288	2.0
107.04928	0.7
109.02864	0.7
109.06504	0.8
111.00790	1.3
112.01579	1.1
113.02361	36.4
114.02725	1.0
115.00293	1.7
117.01896	3.1
117.02600	0.9
119.03378	1.2
119.04922	1.9
122.39661	0.7
125.02364	1.0
129.01852	2.5
131.03397	0.8
145.02873	2.2
154.20366	0.7
157.01350	1.1
161.04448	1.3
163.03949	1.1
163.11250	7.0
173.04486	0.7
175.02441	3.2
179.05443	0.7
181.12311	5.2
191.05621	4.8
202.93546	0.6
207.05113	2.0
207.10255	1.3
225.11302	13.6
226.11742	0.9
249.06204	10.1
266.07861	0.8
267.07266	64.2
268.07632	3.6
299.15012	3.4
415.23560	2.5
457.17151	1.7
475.18283	100.0
476.18658	16.1
476.25381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.9
57.03088	0.8
57.03341	14.0
58.00462	0.8
59.01265	38.5
60.01588	0.6
60.73400	0.6
67.01766	1.2
68.99699	0.9
69.03342	1.0
69.27512	6.6
71.01272	26.3
72.99194	4.7
73.02832	6.0
75.00764	13.6
81.03321	0.7
83.01276	2.1
85.02842	21.2
87.00769	9.3
89.02332	8.9
93.03381	1.3
95.01289	4.3
95.04915	5.1
96.95876	0.8
99.00777	7.7
99.03813	0.9
99.04413	9.4
101.02345	10.0
103.00266	1.3
107.04946	1.0
107.08583	0.6
109.06510	0.8
111.00759	1.5
113.02357	24.9
115.00284	1.7
117.01836	2.0
119.03380	2.2
121.06451	0.9
123.04411	1.5
125.02351	2.9
129.01843	2.4
131.03392	0.7
143.03452	1.3
149.04451	1.3
157.01343	1.3
160.29857	0.7
161.04523	3.4
161.09602	0.8
163.11244	10.0
168.89293	0.7
175.02400	1.9
179.05560	1.8
181.12302	5.3
191.05487	2.1
192.57864	0.7
207.05080	1.1
207.10170	2.0
225.11325	18.1
226.11636	1.1
249.06198	13.5
250.06409	0.8
267.07266	38.2
268.07617	2.1
299.15030	4.4
313.16690	1.0
415.23459	2.9
439.65683	0.7
457.16989	2.2
475.18228	100.0
476.18686	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	475.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	3.9
61.63755	0.5
70.49817	1.2
70.50174	0.9
71.01274	12.8
72.99198	2.3
74.48329	0.5
76.12239	0.6
78.95814	0.5
82.34639	0.5
87.00793	0.8
89.02356	2.9
99.96316	0.6
102.60280	0.5
109.02882	0.8
113.02405	0.6
113.03421	0.5
115.00290	35.8
119.04927	0.6
121.02874	2.5
131.04575	1.1
132.02954	0.8
132.94568	2.0
133.01363	100.0
133.04942	3.4
134.01678	2.7
137.02406	0.7
144.43213	0.5
149.04466	1.5
154.73849	0.5
157.73280	0.5
191.05746	0.6
213.49294	0.6
341.11108	1.4
350.46112	0.5
377.08646	1.3
475.14969	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92553	0.2
59.01266	11.0
62.96305	0.3
64.01480	0.2
71.01263	0.2
71.30842	0.3
73.79061	0.2
78.95794	25.7
80.71228	0.2
83.04920	0.2
96.96878	0.2
99.04425	0.7
115.21111	0.2
115.64164	0.2
122.00056	1.2
127.07566	0.3
134.98523	0.2
140.01126	7.7
152.99535	2.3
166.02673	0.2
171.00500	0.4
196.03784	12.8
197.04218	0.3
202.25478	0.2
205.19745	0.2
214.04861	3.0
233.22647	0.3
251.61552	0.2
259.20685	0.4
270.64072	0.2
275.20148	0.5
277.21777	100.0
278.22128	10.0
321.46664	0.2
365.12772	0.2
413.21143	0.2
415.25302	0.4
474.26352	39.0
475.26752	5.8
475.33701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69323	0.1
57.03331	0.6
59.01263	10.8
60.01585	0.2
61.98718	4.8
65.03849	0.4
71.01268	2.3
71.57163	0.2
72.80640	0.1
73.02843	0.7
78.08295	0.1
78.95779	0.2
79.24222	0.2
83.01255	0.3
85.02844	0.7
87.00761	0.3
89.02337	1.3
93.03356	52.2
94.03686	1.4
95.01244	0.2
97.02854	0.4
99.00780	0.2
99.04398	0.6
101.02351	1.5
113.02362	1.1
116.92783	0.9
117.03390	0.2
119.03412	0.5
119.04939	0.4
123.04438	0.2
123.07999	0.2
125.02349	0.5
132.02103	0.6
133.02888	0.4
134.03654	2.8
135.04449	0.3
137.02371	100.0
138.02705	3.8
143.03424	0.4
148.05237	0.8
149.05763	0.5
160.01591	4.6
161.02362	0.3
161.04547	0.9
163.07574	0.8
164.07932	0.8
167.03499	0.5
173.04492	0.2
175.03966	5.8
176.04219	0.2
179.05566	0.5
191.05618	0.9
193.05034	1.6
299.07660	0.3
329.21069	0.2
331.19034	0.2
337.09335	2.6
338.09735	0.3
345.19495	0.1
347.95627	0.2
415.23517	1.5
416.23569	0.2
428.15909	0.1
431.13376	0.2
433.24481	0.2
475.12616	0.5
475.24805	0.6
476.13116	0.2
504.60553	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97364	0.2
59.01263	1.9
71.05461	0.4
77.43773	0.2
78.95795	100.0
83.19518	0.2
96.96863	7.9
99.04432	1.2
121.06538	0.8
140.01138	1.0
150.97984	0.4
152.99525	16.6
158.88123	0.2
171.00603	19.2
172.01050	0.2
189.63060	0.3
196.03853	0.3
214.04866	1.3
277.21786	23.7
278.22180	2.7
301.97815	0.3
314.08612	0.2
400.22681	1.9
403.22873	0.3
415.24899	2.1
474.26367	60.1
475.26694	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	474.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97364	0.2
59.01263	1.9
71.05461	0.4
77.43773	0.2
78.95795	100.0
83.19518	0.2
96.96863	7.9
99.04432	1.2
121.06538	0.8
140.01138	1.0
150.97984	0.4
152.99525	16.6
158.88123	0.2
171.00603	19.2
172.01050	0.2
189.63060	0.3
196.03853	0.3
214.04866	1.3
277.21786	23.7
278.22180	2.7
301.97815	0.3
314.08612	0.2
400.22681	1.9
403.22873	0.3
415.24899	2.1
474.26367	60.1
475.26694	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	474.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.6
57.03337	4.2
58.00478	2.7
59.01266	81.2
60.01609	1.6
61.98728	0.6
67.01776	1.2
67.16925	0.3
68.99705	1.3
69.03342	1.2
69.88345	1.2
69.88755	0.8
71.01273	57.0
71.92157	0.3
72.01621	0.6
72.99200	7.1
73.02839	10.4
74.03139	0.4
75.00765	13.4
75.72681	0.4
78.95802	1.3
80.02567	0.8
81.03358	1.1
83.01279	5.2
83.04909	1.1
85.02847	36.6
86.03157	0.8
87.00773	11.8
89.02338	24.2
91.03917	0.6
93.03358	7.7
94.03728	0.5
95.01284	5.4
95.04925	5.5
97.02859	1.1
97.06519	1.1
99.00783	15.0
99.04424	2.1
101.02348	26.0
102.02691	0.9
103.00285	1.8
103.03844	0.5
107.04939	1.2
107.08539	0.5
108.02110	0.5
109.02876	1.7
109.06487	2.1
111.00790	1.6
111.04431	17.7
111.08048	0.9
112.01604	0.5
113.02360	37.0
114.02692	0.7
114.09146	0.5
115.00279	1.3
115.07568	22.9
116.07902	1.0
117.01852	2.1
119.03421	6.8
119.04910	2.2
121.06523	1.1
123.04456	0.5
125.02400	0.8
127.03934	1.8
129.01857	3.0
131.03468	1.9
133.02879	0.5
134.03694	0.9
134.09688	0.5
135.04454	1.2
137.02393	1.1
139.00299	0.5
140.10754	0.5
143.03430	1.9
145.02922	2.1
145.10130	0.5
145.30775	0.4
148.12106	0.4
149.04527	1.4
149.05933	0.5
149.09669	0.4
151.00362	1.0
151.03966	0.4
152.10757	2.2
153.09166	0.8
155.03439	1.1
156.10268	3.2
157.01364	1.3
158.10559	0.8
158.11806	8.4
159.02908	1.4
159.04190	0.5
161.02396	0.9
161.04512	5.6
161.05891	0.6
161.09708	1.0
163.03958	2.4
163.11243	9.2
168.13882	0.6
171.02922	0.5
171.10175	1.2
173.04495	6.3
174.04791	0.5
175.02512	2.5
175.67909	0.4
178.08603	0.6
179.03416	0.4
179.05614	2.9
179.10698	0.6
180.11098	0.7
181.12315	6.0
191.05591	51.1
192.05969	2.1
196.09795	1.9
197.08197	0.5
197.09718	3.0
205.07121	0.9
207.05101	1.3
207.10240	1.6
209.11752	0.5
210.12086	0.5
211.11313	0.5
223.07726	0.4
225.11336	15.8
227.03398	1.8
227.10736	0.4
229.05052	0.7
231.05099	1.0
241.08662	0.4
249.06187	14.3
250.06703	0.5
251.07031	0.5
255.03041	1.7
256.03467	0.6
257.04605	0.8
257.11890	0.5
267.07266	37.5
268.07574	0.6
271.06332	0.4
283.09781	0.6
284.03326	2.2
285.04147	8.1
286.04446	1.5
293.04681	0.7
295.19260	2.2
299.15076	5.2
301.10742	2.0
320.17200	4.6
335.08597	1.0
335.58429	0.7
337.09561	0.6
358.15143	3.9
376.16180	8.2
377.16614	0.8
415.23517	4.2
430.18091	1.2
447.09491	0.7
456.22327	1.9
457.17322	1.3
471.12509	0.4
474.23566	100.0
475.18228	95.8
475.24011	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	473.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75272	0.4
59.01268	100.0
59.26995	0.4
60.01598	1.4
61.26518	0.4
66.74733	0.3
69.24281	2.0
69.24705	2.6
71.96902	0.4
88.08672	0.3
98.20534	1.0
99.04424	57.7
100.04751	1.8
277.21704	1.2
353.99625	0.4
383.53635	0.5
453.32898	0.4
455.34299	0.9
472.34753	1.1
473.35846	5.3
474.36200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04524	0.3
55.32915	0.4
59.01265	100.0
60.01604	1.3
61.98733	0.4
64.69139	0.4
78.95806	1.1
99.04418	71.4
100.04749	2.6
147.97559	0.4
168.94643	0.4
170.72968	0.5
172.87221	0.4
277.21799	3.2
331.19037	0.5
413.23312	1.2
472.34946	0.5
473.23227	1.0
473.36148	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	474.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	12.2
61.98719	100.0
62.98438	0.5
67.01775	0.4
71.01275	1.1
71.58495	0.4
73.02840	0.7
83.01303	0.3
83.04904	0.3
85.02841	3.6
87.00785	0.9
89.02328	0.3
93.03365	4.1
99.04449	0.4
101.02380	0.9
105.04554	0.3
109.02874	0.3
111.04404	0.6
113.02367	0.7
119.04973	0.4
121.94863	0.3
127.03963	0.8
134.03693	0.3
137.02380	4.4
147.04436	0.4
148.05246	23.3
149.05632	1.3
160.01663	0.5
161.04549	0.6
163.07600	33.1
164.07916	1.7
173.04483	1.3
175.03941	0.3
175.96648	0.3
176.60526	0.3
191.05589	31.2
197.09750	0.5
255.03024	0.6
284.03442	0.6
285.04129	0.6
415.23483	1.4
475.16589	0.9
475.25336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
59.01267	100.0
60.01607	1.1
63.47595	0.2
67.01769	0.2
70.99532	0.4
71.01272	3.7
71.04920	0.2
72.99217	0.4
73.02840	0.8
74.98991	0.2
75.00783	0.6
83.01311	0.4
83.12707	0.2
85.02850	2.7
87.00796	0.6
87.87852	0.2
89.02341	1.1
93.03378	0.7
95.01285	0.4
96.95876	0.2
99.00777	0.5
99.04427	0.3
101.02347	2.2
102.02685	0.2
111.00730	0.2
113.02363	2.8
119.03487	0.3
119.04994	0.2
125.02409	0.3
129.01872	0.3
133.02901	0.4
135.04482	0.5
135.11696	0.5
149.04510	0.3
159.02989	0.2
161.02415	0.5
161.04521	0.8
163.04002	0.5
165.04019	0.4
173.04530	0.3
175.11275	0.2
179.03514	0.6
179.10779	0.5
191.05614	2.7
191.07181	0.3
209.11810	0.2
209.15529	0.4
249.06291	0.4
259.55203	0.2
263.07898	0.5
267.07291	1.7
273.15115	0.2
281.08893	1.3
311.07684	0.2
337.09613	0.3
353.19830	1.4
354.20587	0.2
371.20831	3.3
372.21198	0.4
413.22021	2.4
414.22583	0.3
429.17978	0.7
473.10507	0.4
473.16785	0.9
473.24731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.6
57.03342	0.5
59.01268	100.0
60.01601	1.3
68.96316	0.3
69.61784	2.8
71.01273	14.8
72.99216	0.9
73.02831	2.0
78.95803	0.6
83.01280	1.1
84.78894	0.4
85.02840	5.1
87.00793	1.2
89.02341	10.9
90.90884	0.3
93.03362	0.5
95.01299	0.8
96.95980	0.5
96.96892	0.6
97.02835	0.4
98.19824	0.8
99.00809	1.4
101.02348	11.2
102.02723	0.4
105.17017	0.4
109.02909	0.4
113.02364	6.6
114.02747	0.4
119.03421	5.0
122.30894	0.4
125.02364	0.5
131.03427	0.8
134.03729	1.2
135.03419	0.8
135.04457	15.6
136.04808	0.7
143.03474	1.5
149.04546	0.6
149.05914	0.4
159.02977	1.3
161.02487	0.6
161.04515	8.6
177.05556	0.4
179.03520	11.0
179.05598	2.1
180.03877	0.8
191.05634	1.7
221.04521	0.9
251.16704	0.9
311.07895	0.9
341.08701	0.7
413.21933	24.4
414.22290	3.3
473.13126	8.4
473.23477	0.4
474.13776	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.7
59.01265	100.0
60.01606	1.2
66.27554	0.2
69.63834	1.3
69.64246	0.4
71.01274	1.7
73.02847	0.7
83.01283	0.3
85.02856	0.7
89.02364	0.8
93.03378	0.3
98.20576	0.2
98.68637	0.2
99.00795	0.3
99.04423	1.3
101.02357	1.8
113.02365	1.1
119.03483	0.3
119.04946	0.5
125.02391	1.0
135.04465	0.2
143.03471	0.2
148.96187	0.2
161.04547	0.5
163.03934	1.1
179.03458	0.3
179.05788	0.2
191.05563	0.6
202.33905	0.2
260.92691	0.2
267.07321	0.4
308.88763	0.2
311.07813	0.5
371.20990	0.3
410.63083	0.3
413.22260	0.3
473.17221	0.3
473.24698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07220	0.2
51.58160	0.3
57.03345	0.5
58.48212	0.2
59.01269	100.0
60.01600	1.4
61.98721	0.3
62.26422	0.3
69.43649	2.7
69.71432	0.2
71.01274	2.6
72.99194	0.3
73.02855	1.1
75.00794	0.6
75.29146	0.2
78.95808	0.3
85.02848	1.4
87.00787	0.7
88.97036	0.3
89.02348	2.4
90.42197	0.2
93.03372	1.6
95.65392	0.3
99.00803	0.6
101.02346	2.0
111.04508	0.4
113.02367	1.6
117.03412	0.5
118.20954	0.3
119.03504	0.3
119.04964	1.4
135.04445	0.8
145.02930	0.8
149.04510	1.0
161.04558	0.5
163.04012	0.8
173.04584	1.0
179.05685	0.5
179.07144	0.4
179.10861	0.7
191.05588	3.8
201.04143	0.4
211.07661	0.3
249.06287	0.8
255.03130	0.6
267.07291	0.6
271.24524	0.3
271.81036	0.3
284.03412	0.4
285.04111	0.7
323.18942	0.3
364.09058	0.4
413.21844	1.4
429.17877	0.9
473.10788	0.4
473.16974	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32766	0.2
56.92230	0.2
59.01264	100.0
60.01608	1.5
61.98723	0.5
71.29099	0.5
72.29208	0.2
73.15329	0.2
75.00763	0.3
78.95799	0.4
92.73136	0.2
93.03387	0.3
99.04448	0.4
112.37636	0.2
127.06051	0.2
133.02899	0.3
135.04459	0.6
141.55864	0.2
161.02380	0.5
165.25394	0.3
179.03560	0.5
191.05656	0.8
298.21286	0.2
299.02054	0.5
332.87424	0.3
333.57138	0.2
359.97171	0.2
390.14923	0.3
473.26172	0.4
473.36859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.8
57.03340	4.9
58.00493	1.0
59.01266	36.3
60.01596	0.4
67.01787	1.4
68.99713	1.7
69.03339	1.5
71.01272	32.1
72.99199	7.3
73.02847	3.1
75.00768	22.1
79.95624	0.4
81.03348	0.7
82.51253	0.3
83.01282	1.9
83.04940	0.7
84.02097	0.4
84.86240	0.4
85.02846	32.5
86.03179	0.7
87.00239	0.7
87.00772	11.9
89.02341	11.6
90.02702	0.4
91.03926	1.3
93.03353	3.6
95.01287	8.0
96.95889	0.5
97.02868	0.7
98.20538	1.0
99.00790	11.9
99.04438	1.7
101.02354	3.6
103.00259	2.8
109.02869	0.9
111.00808	1.5
111.04444	0.7
112.01604	0.8
113.02360	45.0
114.02738	0.8
115.00296	2.8
117.01839	4.0
119.03432	1.3
119.04908	0.9
120.05839	0.5
121.02879	0.5
125.02445	0.5
129.01840	2.7
131.03416	1.3
133.10150	1.6
134.03728	0.6
135.04491	0.5
135.11737	4.9
136.12033	0.5
137.02380	0.5
139.00319	0.7
143.03554	0.5
145.02887	0.9
149.04480	1.2
155.03508	0.5
157.01376	1.6
161.02304	0.5
161.04529	1.0
161.09634	4.8
163.04018	1.7
173.04486	1.0
175.02464	3.7
175.03874	0.6
175.05991	0.4
177.01936	0.4
179.03418	0.8
179.05576	0.7
179.10742	17.1
180.11038	1.0
189.04037	0.7
191.05562	4.6
195.08112	2.9
196.08461	0.4
205.07094	2.0
207.05031	1.6
223.07906	0.5
223.09766	1.4
231.05003	2.4
249.06192	30.8
250.06538	1.8
267.07272	100.0
268.04068	1.9
268.07584	5.3
269.04437	0.6
276.08942	0.4
295.74829	0.5
297.13474	1.3
311.09128	0.9
411.16797	1.2
413.22000	1.1
429.17740	45.7
430.18124	6.9
455.15283	0.6
473.11258	1.6
473.16718	45.0
474.17093	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	473.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.1
57.03341	5.6
58.86209	0.6
59.01266	33.6
60.01588	0.6
65.98602	0.5
67.00706	0.6
67.01766	0.6
68.99702	1.8
69.03352	1.7
69.32491	2.1
69.32910	3.9
71.01270	28.3
72.99206	5.8
73.02843	2.2
74.82669	0.7
75.00763	18.7
81.03380	1.1
83.01282	1.6
85.02847	30.6
86.03185	0.9
87.00774	9.6
89.02331	9.1
91.03907	1.1
93.03364	1.6
93.66563	0.6
95.01293	7.1
97.39142	0.6
98.19812	1.1
98.83536	0.6
98.98679	0.7
99.00785	12.4
99.04417	3.2
101.02351	2.4
103.00265	2.7
110.12561	0.6
111.00775	1.0
112.01591	1.0
113.02358	40.1
114.02680	1.1
115.00289	2.4
117.01861	3.3
120.53844	0.5
124.97836	0.7
129.01866	2.9
130.99857	0.8
131.03423	1.0
133.10168	1.4
135.04454	2.4
135.11693	3.8
137.16594	0.6
149.04491	0.6
157.01370	1.3
161.02364	2.1
161.04559	0.8
161.09657	3.4
175.02423	3.7
179.03481	1.5
179.10757	13.7
180.11070	1.0
191.05585	1.9
205.07188	2.0
207.05128	2.0
223.08099	0.9
223.09953	1.0
231.05101	2.1
249.06190	26.1
250.06601	0.9
251.05614	0.9
267.07269	100.0
268.07605	5.0
272.36047	0.6
281.06659	0.7
293.15088	0.7
341.08698	0.7
411.16672	1.8
413.21481	0.8
429.17752	45.6
430.18115	6.2
473.16687	37.9
474.16977	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	473.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57706	0.7
56.92152	0.8
57.03331	3.2
58.00488	0.8
59.01266	100.0
60.01614	1.2
69.03321	0.9
70.90617	1.1
70.90944	2.1
71.01270	21.2
73.02837	13.0
75.00764	1.1
78.95800	1.2
79.27534	0.7
82.72250	1.0
83.01286	4.7
85.02838	5.7
86.89284	0.8
87.00773	2.8
88.03930	2.9
89.02345	6.5
93.03346	2.7
95.01294	1.0
96.00800	3.3
96.95920	1.1
99.04459	1.3
101.02349	17.8
113.02380	6.9
113.03526	0.9
115.00296	2.1
119.03445	1.8
125.02378	2.3
128.03418	1.2
130.08640	0.9
132.02979	1.5
133.02879	1.8
134.03670	6.2
135.04393	1.5
141.06595	1.1
143.03490	1.1
145.02919	0.9
149.04433	1.1
149.06049	1.3
151.00323	1.2
160.01598	1.7
161.02383	3.7
161.04558	4.1
163.11215	3.4
173.04520	1.2
175.03954	2.8
179.03391	1.0
191.05577	17.2
192.06053	1.0
193.05054	8.8
207.10289	11.4
225.15948	2.2
229.01257	1.1
230.25552	0.9
242.18718	0.8
253.05167	1.1
267.07291	1.9
311.02252	1.1
323.16187	1.5
340.18903	1.5
358.20029	1.6
369.15552	2.2
387.16833	7.8
388.17191	1.3
413.21893	2.1
429.17752	84.5
430.18192	9.9
438.18784	2.2
455.21863	4.4
461.05185	1.8
473.16489	3.4
473.22495	6.7
474.16818	1.4
474.23074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.9
59.01266	100.0
60.01591	1.5
70.62103	3.1
71.01269	24.3
72.99212	2.7
73.02835	19.1
75.00780	2.0
82.65793	1.8
83.01286	6.4
85.02837	6.6
87.00751	4.0
89.02354	7.4
93.03367	2.8
96.95907	3.0
98.02390	1.8
101.02347	18.2
106.23783	1.5
109.02841	2.2
113.02339	7.8
119.03385	1.8
131.03465	1.8
133.02910	4.1
134.03648	4.6
135.04440	8.2
152.01065	2.8
161.02417	13.6
161.04514	3.7
163.11230	27.2
164.11534	2.7
173.04491	2.6
179.03458	6.0
179.05324	2.0
191.05621	10.2
193.05070	4.4
211.06146	4.0
387.16531	5.6
413.21713	3.2
429.17773	58.9
430.18207	5.9
431.15256	1.9
473.17197	15.2
474.16965	2.7
489.20609	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	473.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95832	0.3
59.01267	15.6
59.67839	0.2
60.01600	0.2
66.55540	0.2
66.65198	0.2
71.01273	2.2
71.58895	0.3
73.02841	1.6
75.00761	0.4
80.33066	0.3
80.95973	0.2
80.96574	0.2
83.01278	0.4
83.02434	0.2
83.94678	0.2
84.22025	0.2
85.02853	1.0
87.00759	0.5
89.02338	0.8
95.01260	0.3
96.95923	1.3
99.00797	0.3
101.02356	1.3
106.04144	0.4
109.02832	0.3
113.02347	1.3
120.02095	0.4
121.02887	0.5
121.22824	0.3
131.03386	0.4
133.02927	0.4
134.03648	1.4
135.04448	0.5
137.02359	0.3
149.27295	0.2
161.02396	0.7
161.04478	0.3
162.03181	58.4
162.18250	0.3
163.03514	3.3
163.11253	1.3
177.05544	100.0
178.05882	5.8
179.03519	0.5
179.07140	0.7
191.05550	1.2
201.11154	0.3
207.10309	0.3
258.17722	0.3
269.10388	0.5
429.17767	4.6
430.17960	0.3
431.15744	1.0
473.18326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1461
Annotation	Peperomin F
Peak:m/z	Relative Intensity
55.01770	0.2
57.03338	0.1
59.01266	3.6
69.03358	0.1
70.95881	0.1
71.01267	1.3
73.02829	0.5
77.03869	0.2
82.09374	0.1
83.01275	0.3
85.02847	0.7
87.00765	0.1
89.02344	0.2
89.03867	0.2
93.03374	0.1
95.01327	0.1
95.04916	0.1
97.02802	0.1
99.00809	0.2
101.02341	1.1
104.02584	0.1
105.03352	0.6
107.04939	0.2
109.02857	0.2
111.00797	0.1
111.80432	0.1
113.02358	0.5
115.01828	0.2
117.03392	0.5
119.04941	0.1
121.02870	0.2
123.04448	0.2
123.08101	0.1
129.83220	0.1
132.02094	2.0
132.03108	0.1
133.02881	36.7
134.03268	1.3
134.60754	0.1
135.04446	8.0
136.04759	0.4
137.02333	0.5
139.03940	0.2
147.04414	0.1
150.03154	0.1
159.03072	0.0
159.04390	0.3
160.01640	0.2
161.02386	100.0
162.02722	5.3
162.04170	0.1
163.03992	0.1
173.04620	0.1
173.06104	0.1
175.03915	0.1
178.02695	0.2
179.03456	4.9
180.03775	0.3
191.05577	0.2
203.03506	0.3
214.22227	0.1
229.01382	0.1
245.60686	0.1
247.06119	0.1
251.16542	0.1
269.10397	0.2
271.02524	0.1
293.04630	0.1
294.51251	0.1
299.02097	0.3
309.21042	0.1
336.06305	0.1
339.05392	0.1
351.09015	0.3
413.12421	0.1
413.21695	0.1
431.13535	0.3
432.13461	0.1
473.14597	45.7
474.14960	7.5
485.13171	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	473.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.2
59.01278	10.1
68.99655	1.8
71.01279	19.9
71.58380	2.2
83.01276	3.4
83.64337	1.5
85.02850	18.1
85.38430	1.7
87.00773	2.9
89.02341	5.7
95.01250	2.0
101.02369	3.7
113.02361	12.8
126.09753	1.7
131.03438	1.5
151.06071	8.8
164.66698	1.8
167.56421	1.7
173.04518	4.9
205.31419	1.8
215.05554	2.3
283.10431	2.6
314.62555	1.8
397.13824	2.1
441.12881	3.7
473.15210	100.0
474.15515	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14737	0.4
59.01266	100.0
60.01609	0.9
71.01275	2.8
71.59664	0.8
72.99202	0.8
73.02825	0.8
77.40976	0.4
80.14022	0.4
85.02844	1.3
87.00800	0.8
89.02350	1.6
93.03389	1.3
95.67878	0.4
96.95917	0.8
99.00791	0.5
101.02389	1.2
113.02365	1.2
115.03934	0.5
134.03706	1.7
135.04451	15.6
136.04825	0.7
137.02356	0.6
149.06078	1.0
151.03990	0.8
160.01671	0.9
161.02411	1.5
163.04031	0.5
173.04590	1.3
176.04782	1.2
179.03468	15.5
189.73634	0.4
190.79601	0.4
191.05620	2.9
191.07111	0.8
193.05107	1.7
194.05852	3.5
195.06398	0.5
209.08200	10.2
209.10062	0.7
211.06216	0.5
220.35742	0.4
225.07675	0.6
243.56230	0.5
294.38217	0.4
297.10068	0.5
299.09241	0.9
311.11539	1.2
341.08997	1.2
352.14056	0.5
401.14783	1.3
473.13110	12.4
474.13699	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1463
Annotation	4',5'-Dihydro-11,5'-dihydroxy-4'-methoxytephrosin
Peak:m/z	Relative Intensity
54.39004	0.1
57.03312	0.2
59.01269	5.7
65.03851	0.1
67.01788	0.1
67.56302	0.1
71.01270	3.4
71.59567	0.2
72.99199	0.3
73.02827	0.7
75.00790	0.3
78.95800	1.8
83.01298	0.2
85.02838	1.3
87.00780	0.4
89.02342	0.6
91.05447	0.2
93.03362	18.7
94.03703	0.5
95.01303	0.3
96.96865	1.4
96.99216	4.0
99.00791	0.3
99.04365	0.1
101.02356	1.0
108.02086	0.4
109.02888	0.2
111.04440	0.3
113.02346	1.1
114.93419	0.1
115.00289	1.3
115.05457	2.4
117.03368	1.1
117.07021	0.3
119.04948	11.9
120.05294	0.3
121.02873	0.5
123.04437	0.6
130.04176	3.9
131.04974	3.8
132.02129	0.2
132.05757	3.4
133.02892	0.4
134.03708	0.7
135.04486	0.3
135.11617	0.1
143.04967	7.6
144.05310	0.5
145.02884	0.5
145.06526	1.3
147.03293	0.3
147.04457	3.9
148.04836	0.2
149.04527	0.2
158.03706	1.2
161.04480	0.3
161.05916	0.1
162.03162	0.2
163.03957	4.5
164.04344	0.2
171.04471	0.5
173.04472	0.5
173.05937	0.2
173.87306	0.1
176.04813	0.7
179.03514	0.2
179.05455	0.1
179.10774	0.3
181.10173	0.3
187.04012	0.6
191.05592	1.0
193.06578	0.5
193.10234	0.2
195.08139	28.9
196.08488	2.3
202.02676	1.0
206.07341	1.1
207.08147	3.2
208.08504	0.2
209.09775	0.2
211.07603	0.3
219.08167	6.4
220.08800	0.9
221.09729	42.8
222.08397	0.1
222.10089	4.1
223.11298	19.1
224.11635	2.1
230.07451	0.4
231.08070	0.8
233.09424	0.6
234.06833	1.3
235.07295	0.3
237.09265	1.2
237.12857	0.1
238.09605	0.2
243.03081	0.2
247.07687	2.0
248.08464	5.5
249.09241	18.0
250.09602	1.8
255.03047	0.2
265.08655	0.2
267.07376	0.4
267.10342	1.1
271.02646	0.2
292.07465	2.5
293.08206	3.3
294.08820	0.4
300.02719	0.5
301.03360	0.2
311.09338	2.6
312.09680	0.3
335.09592	0.2
413.21671	0.4
429.17892	1.0
455.13358	0.9
456.13824	0.2
463.08759	0.2
473.14627	100.0
474.14990	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	471.3492
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01258	0.4
70.76830	0.2
71.58802	0.2
73.45025	0.2
74.07449	0.2
76.30061	0.2
115.19464	0.2
372.54251	0.2
391.55283	0.2
471.34906	100.0
472.35239	20.6
472.42188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66587	1.0
53.25338	1.0
59.01268	18.4
70.82243	2.3
71.01281	8.6
71.40084	1.1
73.02843	3.9
74.23460	1.0
75.00758	2.3
78.95798	2.4
80.83587	1.1
82.66611	1.2
85.02851	1.9
86.18901	1.0
87.00777	1.0
89.02339	7.6
96.96848	1.5
99.00782	9.3
101.02361	3.9
107.04951	1.2
109.02876	1.3
113.02363	1.2
116.61836	1.0
121.02853	1.2
125.02416	1.5
133.02901	12.1
134.03673	3.3
135.04454	100.0
136.04762	5.3
152.84143	1.1
161.02396	57.7
162.02774	2.4
175.69717	1.1
177.05540	1.6
179.03462	79.5
180.03831	3.4
191.05615	2.9
207.06619	4.0
221.04596	2.2
251.05658	20.6
252.06134	1.2
252.92938	1.2
269.06796	1.4
293.06851	2.3
303.25558	1.4
311.07794	43.9
312.08215	3.9
353.08844	52.4
353.13199	2.5
354.09167	7.6
383.09937	33.8
384.10437	4.1
413.10977	37.7
414.11411	5.6
429.18024	1.9
473.12921	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	473.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00489	0.3
59.01266	11.4
61.98706	0.4
70.33893	0.7
70.34291	0.7
71.01273	3.7
73.02835	0.7
83.01318	0.4
85.02853	1.3
89.02345	1.9
93.03358	0.7
96.95890	0.7
97.02878	0.3
98.19937	0.5
101.02349	1.4
106.04191	0.3
107.04948	0.7
108.02100	0.5
113.02370	1.0
117.03415	0.4
119.03434	0.3
121.02885	0.6
121.39094	0.3
128.03477	0.4
133.02876	1.5
134.03668	5.9
135.04453	100.0
136.04787	4.8
137.02386	1.7
139.03987	0.5
145.06323	0.3
149.06050	1.8
152.01120	0.7
155.70297	0.3
158.91347	0.3
159.04507	0.8
160.01598	1.0
161.02483	1.5
161.04456	0.4
162.03111	0.4
163.11237	0.5
175.03964	1.3
177.01932	0.7
177.05527	1.7
178.02699	1.4
179.03464	94.4
180.03796	5.6
191.05640	1.3
193.05040	2.1
209.08157	0.5
211.06143	0.4
221.04514	1.2
275.43744	0.3
311.08109	0.5
311.11426	3.5
323.07758	1.5
324.10040	0.3
341.08820	7.2
342.09341	0.5
342.31985	0.4
417.53802	0.3
429.17908	1.7
431.15347	0.3
473.13126	68.3
474.13492	9.4
474.20175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.349
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01248	0.7
62.94802	0.2
68.85617	0.2
71.57522	0.3
74.38836	0.2
85.24214	0.2
98.98635	0.2
108.70877	0.2
138.75304	0.2
149.75841	0.2
193.81505	0.2
225.19153	0.2
254.00220	0.2
423.32813	0.6
471.34894	100.0
472.35266	19.1
472.42346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3503
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.71902	0.3
53.43688	0.3
59.01256	0.5
60.99190	3.1
67.34765	0.2
69.38127	2.8
75.94115	0.3
81.03372	0.3
99.04409	1.0
140.51216	0.3
151.75620	0.3
191.27232	0.3
241.21764	0.5
242.22107	0.4
391.29880	0.6
407.33292	3.5
408.34015	0.4
425.33450	3.2
433.26059	1.7
435.26611	0.3
471.34863	100.0
472.35239	19.2
472.42361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3488
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
51.36000	0.5
59.01127	1.4
59.01442	0.9
61.98594	0.6
71.04792	0.6
85.06335	0.5
97.06303	3.8
98.19804	1.8
99.04295	0.5
105.52910	0.5
123.69086	0.5
125.06753	0.5
134.74928	0.6
175.22015	0.4
312.77628	0.6
355.26208	0.7
389.28305	1.3
391.30176	5.2
392.30499	0.9
403.25226	0.9
405.31653	5.3
406.32059	0.9
407.33270	11.8
408.33453	1.6
437.30762	1.1
439.32278	1.6
441.33841	3.1
451.32303	13.6
452.32391	2.5
453.33838	62.4
454.34149	11.3
464.01727	0.5
471.34897	100.0
472.35251	20.4
475.30167	0.5
497.32928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3491
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01270	1.1
69.53251	1.3
77.90326	0.2
79.48668	0.2
82.60276	0.2
83.04865	0.2
125.41463	0.3
178.01581	0.2
218.03362	0.2
287.21683	0.2
393.31702	0.5
423.32889	0.7
471.34927	100.0
472.35263	19.1
472.42239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3492
Annotation	Odoratone
Peak:m/z	Relative Intensity
52.24984	0.2
59.01268	0.8
69.42784	0.9
69.43214	0.6
83.04919	0.3
90.52558	0.2
94.40067	0.2
112.36597	0.2
118.87299	0.2
179.35971	0.2
409.71262	0.2
471.34924	100.0
472.35275	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3489
Annotation	Odoratone
Peak:m/z	Relative Intensity
53.09491	0.1
59.01271	0.9
69.29176	0.2
70.93616	0.4
70.93980	0.3
71.01256	0.3
82.83981	0.2
89.02331	0.3
94.91196	0.2
96.13227	0.2
105.02497	0.2
132.14964	0.2
211.88205	0.2
291.19647	0.3
391.30206	0.2
393.31662	0.3
471.34897	100.0
472.35245	19.0
472.42169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2762
Annotation	Methyl lucidenate A
Peak:m/z	Relative Intensity
53.94818	0.4
59.01252	1.4
61.98735	0.4
63.87233	0.4
71.57131	0.4
71.69805	0.4
72.00031	0.4
78.95813	0.5
95.04903	0.5
105.03372	2.9
117.03336	0.6
123.04433	0.5
128.79883	0.4
132.02089	7.7
133.02884	14.5
134.03670	14.4
135.04491	4.2
135.84003	0.5
137.02367	3.5
139.03934	1.1
145.03036	0.6
148.05255	1.6
149.06018	1.2
150.03102	0.7
160.01604	48.3
161.02390	9.8
161.06046	2.7
162.02930	0.8
175.03964	100.0
176.04326	5.6
178.02670	2.0
179.03430	2.6
181.87465	0.5
190.10039	0.8
193.05054	7.1
194.02167	0.6
194.05209	0.5
194.15500	0.5
198.15508	0.5
205.05002	0.6
219.42372	0.5
237.04530	0.5
247.09639	0.8
255.23221	0.7
265.21664	0.7
277.21695	1.1
287.12894	2.2
295.22867	10.4
296.23209	1.6
301.14459	0.7
327.16110	1.5
341.17682	1.2
371.25836	1.0
412.79578	0.5
439.25037	5.2
440.25418	1.1
447.37402	0.5
453.26089	0.8
471.27606	56.7
472.27972	11.2
472.34659	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01602	1.1
60.28237	0.5
63.78425	0.6
69.59608	4.2
162.80798	0.5
196.59273	0.6
377.98129	0.6
453.04373	0.6
471.35257	3.8
472.35358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70206	0.3
57.03316	0.4
59.01263	100.0
60.01604	0.9
61.98721	1.6
62.63524	0.4
69.03361	0.4
69.28619	3.3
69.29032	0.6
71.01269	6.5
72.99186	0.5
73.02837	7.2
75.00780	0.3
76.11996	0.4
83.01273	1.8
85.02853	0.9
87.00780	0.8
89.02351	1.9
96.95908	0.8
99.00814	0.7
99.04421	0.6
101.02350	7.7
113.02356	3.8
119.03444	1.4
125.02355	0.5
131.03410	0.9
137.09654	1.4
143.03392	0.8
149.04533	1.3
161.04475	2.6
164.07623	0.3
165.09128	0.9
179.10812	0.9
191.05638	1.3
221.06671	0.5
223.09824	0.6
471.23035	1.2
472.22540	0.5
486.84937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	2.9
59.01264	100.0
61.98729	5.8
69.03349	3.1
70.37183	8.9
71.01271	44.2
71.54987	2.0
72.99190	4.9
73.02836	43.4
75.00761	3.3
78.95762	3.0
80.96396	2.6
83.01272	13.2
83.04912	22.4
85.02858	6.0
87.00803	5.6
89.02332	27.6
93.03350	4.8
96.95923	3.1
96.96844	2.5
99.00793	9.3
101.02348	46.2
113.02364	22.3
119.03469	4.3
119.04941	9.4
120.05280	2.6
121.06509	3.1
125.02390	3.6
128.03519	2.6
131.03456	8.3
134.03665	2.4
139.37080	2.5
143.03442	3.0
145.02875	3.5
149.04498	20.9
153.05540	3.7
161.02426	2.9
161.04520	18.1
163.03984	10.5
173.04507	4.5
191.05609	20.9
193.05228	2.5
205.12277	5.0
207.10411	2.5
221.06667	3.8
275.09436	5.0
471.19302	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	471.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	4.2
57.03342	38.5
59.01270	63.9
59.36187	1.5
60.01602	1.4
67.01796	8.1
68.99712	8.2
69.03345	5.6
69.73965	9.7
70.02888	1.3
71.01273	61.3
72.99201	3.0
73.02840	30.2
75.00741	1.6
81.03382	1.9
83.01290	9.5
83.04916	25.7
85.02847	57.0
86.03173	1.5
87.00777	20.7
88.98727	1.9
89.02335	10.1
91.03905	4.7
93.03378	3.1
93.07025	1.7
95.01271	8.9
97.02901	2.3
99.00805	1.7
99.04423	3.4
101.02350	19.3
103.00268	3.9
103.03914	2.6
105.07040	4.2
107.04911	1.7
109.02850	1.8
111.00812	7.8
112.01563	2.7
113.02362	77.4
114.02699	2.5
119.03450	3.0
120.05711	3.2
121.06572	2.1
129.01871	5.6
129.39516	1.6
131.03471	3.0
133.02925	2.8
133.06514	1.8
134.03664	4.3
134.07315	2.5
135.04419	4.2
135.11751	2.3
137.02318	1.5
139.00291	3.5
143.03488	2.9
145.10187	3.6
147.08136	3.9
148.08853	3.3
153.12418	1.5
153.15358	1.4
157.01431	3.0
161.04529	3.0
161.09637	8.3
163.11240	92.9
164.11638	6.6
173.04614	1.6
177.01930	4.6
178.02704	7.7
179.03432	4.4
179.10760	14.1
189.03949	1.6
189.09132	13.6
191.05624	3.6
205.07198	10.8
207.10268	32.4
208.10669	3.4
224.09218	1.6
231.05081	2.7
231.10287	1.7
237.09885	2.2
243.05037	1.4
249.06161	8.2
249.14922	8.2
263.07773	49.5
264.08014	2.6
267.07202	4.6
275.09421	5.0
281.08841	100.0
282.09207	6.4
293.10541	2.2
311.11295	2.7
348.94260	1.4
411.20682	2.2
429.21167	1.9
439.15939	1.6
471.18536	66.5
471.23071	46.1
472.18979	9.2
472.23489	5.8
492.11356	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	469.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94683	0.2
58.99490	4.0
59.01005	0.3
59.01264	3.6
61.22342	0.2
61.98711	0.7
64.87488	0.3
70.06778	0.3
71.01254	0.3
71.58475	0.3
71.58891	0.5
80.28497	0.2
85.02825	0.4
86.54047	0.3
87.00773	7.4
90.20865	0.3
93.42512	0.3
101.02313	0.3
102.98505	2.3
133.02826	0.4
135.04462	0.6
139.03900	0.4
161.02348	0.5
173.04445	0.5
179.03436	0.4
187.11583	0.7
191.05595	1.3
251.18423	0.8
271.02374	0.4
279.42551	0.3
293.19446	2.2
299.01984	0.9
299.64975	0.3
339.23682	100.0
340.24023	12.3
399.80399	0.3
409.24274	22.9
410.24573	3.3
427.25308	11.5
427.29672	0.2
428.25812	1.7
469.26355	19.2
470.26813	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	469.3338
Annotation	Lantic acid
Peak:m/z	Relative Intensity
59.01271	1.1
59.59406	0.2
69.57535	1.8
82.01769	0.2
99.04402	0.4
241.21773	1.1
242.22198	0.2
255.80762	0.3
289.21857	1.0
391.26779	0.3
392.27011	0.4
393.28043	2.4
394.28329	0.6
407.29611	3.1
408.30002	0.6
409.31290	2.4
410.31195	0.3
421.31299	0.4
423.32806	71.3
424.33136	13.5
424.38998	0.5
425.34381	1.6
426.34839	0.4
433.26166	0.5
469.33340	100.0
470.33698	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01602	2.1
64.28910	1.7
68.52589	1.6
71.01272	2.4
71.55991	3.6
71.56362	2.3
72.80339	1.7
78.95795	66.2
96.95892	4.3
96.96870	33.2
116.92742	2.1
129.61142	2.4
175.05963	2.4
191.05571	4.1
197.85762	2.0
226.07851	1.8
249.08955	9.2
291.06787	1.9
372.20264	2.0
411.14352	85.2
412.14618	9.3
471.16180	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.5
60.15782	0.3
61.98705	1.2
71.58324	0.5
78.95795	8.6
81.82574	0.3
87.15628	0.3
96.96842	0.8
99.04391	1.1
109.06508	0.3
134.16603	0.3
152.99530	16.6
171.00615	1.2
195.17467	0.3
205.22993	0.3
227.03255	2.9
241.21747	100.0
242.22102	9.4
245.04338	0.9
279.23300	0.4
439.32428	1.0
469.25848	33.6
469.33173	2.0
470.26138	4.9
470.32916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2601
Annotation	Blazeispirol V
Peak:m/z	Relative Intensity
51.82865	0.8
53.29689	0.9
53.33351	0.8
59.01252	2.9
71.57990	1.2
71.58375	1.0
78.95789	4.5
79.19426	0.9
96.57921	0.8
105.03370	1.3
117.03401	1.9
120.96928	0.9
124.74847	0.8
132.02097	8.7
133.02884	9.7
134.03665	29.7
135.04448	11.4
137.02388	3.2
138.97954	1.4
139.03929	1.6
144.07674	0.9
148.05264	5.0
149.06021	2.2
160.01605	45.6
161.02388	4.7
167.01205	1.0
175.03960	100.0
176.04327	5.0
178.02603	2.5
179.03493	6.5
193.05040	18.4
195.00656	1.0
199.13399	1.8
255.23329	17.1
256.23682	1.7
261.15140	0.9
263.20340	1.1
275.20242	1.9
284.18430	0.9
285.11328	1.8
290.55524	0.8
293.21283	4.7
371.58612	0.9
389.86649	0.9
437.23434	1.2
451.24872	9.7
469.26016	42.2
469.33206	3.2
470.26334	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	469.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	12.7
60.20246	0.8
64.86184	0.8
69.03288	1.0
69.91659	3.4
78.95786	1.4
99.04421	5.3
116.80705	1.0
152.99530	5.7
227.03273	1.5
232.46927	1.0
237.12526	0.9
241.21742	45.0
242.22137	4.1
295.22986	1.5
299.44836	1.0
331.71875	0.8
359.28531	0.8
393.27814	2.6
407.29654	3.6
409.31195	3.2
423.32761	74.1
424.33063	10.5
425.34030	1.0
433.26025	28.6
434.26410	5.4
469.25928	14.4
469.33228	100.0
470.27032	1.4
470.33603	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2581
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
59.01255	0.4
66.72814	0.1
69.64199	0.2
69.64571	1.2
78.95796	5.6
95.42989	0.1
96.96870	0.6
99.04461	0.2
113.81673	0.2
120.84541	0.2
135.49783	0.1
141.67055	0.1
152.99527	14.4
153.99886	0.3
171.00592	1.2
223.20680	0.2
227.03268	3.3
241.21750	100.0
242.22089	9.5
245.04375	1.3
295.22830	0.2
423.26981	0.3
423.32794	4.1
424.33096	0.7
433.26135	0.6
469.25787	33.0
469.33212	6.4
470.26120	4.7
470.33463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15775	35.5
53.98583	44.4
57.78069	38.4
59.01266	100.0
61.98720	65.7
71.59631	70.3
73.62582	41.0
76.89798	41.3
99.30023	45.6
132.70413	48.3
217.86703	41.8
367.10004	44.6
493.39032	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32647	0.8
59.01254	1.3
61.33632	0.8
61.98709	1.5
69.91698	5.0
78.65369	0.8
98.20481	1.6
99.04372	0.9
120.86797	0.8
141.26991	0.8
143.02676	1.1
212.36438	0.9
407.29715	3.2
423.29166	1.8
425.30707	6.0
469.29697	100.0
470.29956	15.5
476.51468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	55.5
71.01276	62.2
71.56410	6.0
72.99197	5.1
73.02828	13.3
77.91494	4.1
89.02338	100.0
93.03329	4.7
96.95932	7.2
99.00788	34.2
101.02361	40.6
113.02344	10.8
119.03425	5.7
125.02338	4.4
131.03392	13.6
142.06108	4.3
143.03275	4.1
149.04495	75.5
149.06400	4.0
191.05544	23.8
221.06531	6.9
245.04718	4.2
251.07767	11.0
280.12561	4.4
323.09866	6.3
409.17252	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	469.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28938	3.9
54.82762	4.2
59.01257	7.3
60.99066	4.4
61.98705	8.5
62.53946	4.0
71.28107	7.4
78.95798	12.7
99.04424	41.0
112.38876	4.1
113.23473	4.8
152.99515	14.7
179.03407	5.1
241.21748	61.4
279.23239	6.8
292.80289	4.8
299.22485	5.4
322.96265	4.9
327.82971	4.6
336.51328	4.6
357.31802	4.8
433.26038	100.0
434.26132	16.5
469.25717	15.4
469.32770	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	469.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	62.1
58.03687	1.3
59.01267	10.6
60.27795	0.4
61.98723	1.4
62.86460	0.4
65.72691	0.3
67.01786	0.4
68.02147	0.3
69.59106	2.6
71.01274	5.2
71.62849	0.4
72.01113	0.4
73.02851	1.9
75.39690	0.4
81.03353	1.2
83.01283	1.2
85.02863	1.7
87.00758	0.6
89.02351	0.4
93.03344	2.7
94.03708	0.9
96.74577	0.4
97.02864	0.4
98.20532	0.5
99.00802	0.8
99.04420	47.3
100.04771	1.1
101.02352	13.8
111.04404	0.4
113.02335	2.5
119.04929	0.4
121.02854	0.4
125.02373	18.7
126.02704	0.6
134.03630	0.5
135.04457	0.7
143.03448	1.6
147.04440	0.9
148.05243	100.0
149.05573	6.1
161.04506	4.6
163.07599	95.4
164.07935	5.7
173.04486	1.3
174.04857	0.7
175.04950	0.4
191.05556	1.0
197.38518	0.4
203.05592	0.7
204.65704	0.3
230.32184	0.4
243.08778	0.6
271.87900	0.4
281.08627	0.5
299.84686	0.4
325.13062	0.5
367.14288	0.4
451.15326	2.1
469.16248	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	469.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73731	0.5
51.75873	0.6
56.81168	0.5
57.03338	15.5
59.01266	6.0
61.98714	0.6
67.01769	1.2
69.03321	0.8
69.04285	0.6
70.98096	1.2
71.01269	2.5
72.99190	0.6
74.98994	3.8
75.00774	0.6
75.13244	0.5
77.54126	0.5
78.95798	1.7
81.03342	0.6
85.02843	1.9
87.00763	1.1
89.02338	1.5
93.03361	4.7
96.95921	1.6
96.96886	0.6
99.04424	5.1
101.02338	6.4
108.02063	1.2
109.02875	2.2
111.04430	1.2
113.02366	0.8
117.03403	0.9
119.04944	84.1
120.05273	4.2
123.04397	0.6
125.02368	4.2
135.04367	0.7
136.99034	3.5
145.02847	0.7
152.01086	1.8
153.01863	3.0
161.02386	0.7
163.03957	100.0
164.04335	4.4
167.03461	1.6
170.69095	0.6
173.04498	3.2
179.03516	0.8
191.05592	13.4
192.05928	1.9
193.06203	1.8
242.36235	0.6
273.03909	0.6
301.03363	0.8
325.09393	11.2
326.09598	0.8
365.39993	0.6
367.10355	3.0
407.13760	1.1
451.15372	1.2
469.13687	4.3
469.22092	1.0
470.14038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	1.1
58.00491	0.6
59.01270	10.2
61.98739	0.4
67.01770	2.4
69.03370	0.6
69.73283	2.5
71.01275	9.6
71.01659	0.5
72.99216	0.9
73.02865	1.2
74.71790	0.4
75.00768	3.2
75.23755	0.4
80.91608	0.6
83.04917	0.8
85.02848	3.5
86.27425	0.4
87.00772	3.2
89.02342	9.1
93.03365	17.3
94.03719	0.5
96.95914	9.4
99.00802	1.0
99.04459	0.6
101.02383	1.0
109.02878	1.8
111.00793	0.8
111.03712	0.6
111.04418	4.5
111.05003	0.4
113.02361	0.9
119.04960	5.3
119.30516	0.4
121.02919	0.7
127.03963	1.3
133.03003	0.5
137.02357	3.0
142.41068	0.4
145.02899	0.9
147.06653	0.4
149.04475	0.4
149.40649	0.5
153.01891	0.5
155.03452	2.9
163.03976	5.3
173.04517	32.2
174.04889	1.0
191.05600	22.0
192.05922	1.2
214.17229	0.4
233.06798	0.6
305.08914	0.7
323.09912	100.0
324.10275	8.2
337.09424	0.9
371.10504	0.5
451.15402	0.5
469.13565	17.8
470.14136	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	469.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	3.8
59.01270	6.0
61.98713	0.8
64.79298	0.6
67.01772	1.7
69.03344	100.0
69.53024	4.2
70.03682	2.2
71.01277	2.7
72.99208	2.0
79.01816	1.9
85.02840	2.0
86.66302	0.6
87.00778	1.2
89.02355	0.7
93.03354	3.5
95.01292	2.2
97.02857	20.3
99.00780	27.7
101.02361	1.1
108.90475	0.6
109.02847	1.0
110.32659	0.7
111.04427	0.9
113.02369	1.3
120.99564	3.2
121.02892	7.2
123.00784	1.6
133.02881	1.9
134.03633	3.1
135.04471	9.2
137.02385	1.5
141.01866	8.8
145.02914	1.6
161.01263	0.7
161.02382	4.1
168.84911	0.6
173.04562	1.5
176.99159	0.6
179.03499	3.2
185.00888	71.4
186.01189	3.2
191.05646	3.0
193.05153	1.6
227.79361	0.6
261.96756	0.6
287.88763	0.8
300.05859	0.7
307.04666	69.7
308.05014	6.6
410.99496	0.6
433.01248	0.7
450.15256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.8
58.00479	0.8
59.00995	1.0
59.01269	11.4
67.01766	1.9
67.56234	0.7
67.64262	0.5
69.03328	1.0
69.85356	3.5
71.01273	10.5
72.99182	1.3
81.03333	0.8
83.04911	0.7
85.02834	3.4
87.00771	2.2
89.02348	10.3
93.03365	14.7
94.03672	0.8
95.01284	0.6
96.95911	1.4
99.00801	1.2
101.02319	0.8
109.02842	1.7
109.93338	0.7
111.04431	3.8
119.04935	5.0
126.64075	0.7
127.03914	1.2
131.03416	0.6
137.02377	3.5
145.02826	1.5
155.03424	3.2
163.03983	3.9
173.04520	32.4
191.05585	13.7
192.05888	0.7
233.06668	0.7
267.07260	0.9
304.19522	0.6
323.09909	100.0
324.10300	7.5
443.32370	0.7
469.13556	4.0
470.13510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42114	0.4
57.03319	0.5
59.01266	44.0
60.01600	0.6
61.98703	1.0
69.87051	0.8
69.87470	1.8
71.01270	4.7
72.99174	0.4
73.02837	1.0
75.00757	0.7
78.95795	4.0
83.01274	0.5
85.02846	1.3
87.00780	0.9
89.02334	5.1
93.03380	0.6
95.01305	0.6
96.96856	0.4
97.61878	0.4
101.02339	4.4
113.02351	2.9
114.39448	0.4
115.03934	0.4
119.03397	1.1
125.02422	0.4
133.02904	0.5
133.05005	0.4
134.03661	0.4
143.03395	0.7
152.99539	5.1
153.01915	0.4
153.99857	1.1
154.99982	2.1
161.04514	2.7
171.13864	100.0
172.14182	5.6
173.04559	0.5
179.05556	0.6
191.05530	1.9
235.08266	3.8
245.11879	0.5
253.09329	22.7
254.09692	1.2
407.22827	2.9
408.23166	0.4
428.16602	0.4
467.16873	0.7
467.23407	1.3
467.26093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	80.6
61.98717	100.0
93.03396	14.5
96.95908	24.6
137.09567	12.2
173.04593	17.8
191.05524	20.7
241.07651	15.4
269.06894	19.3
329.57849	12.1
389.16641	95.4
407.17511	42.5
467.13715	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	467.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21384	22.8
59.01261	77.4
61.98727	37.3
70.04415	100.0
70.04832	49.1
116.70908	25.1
139.85281	23.2
159.69496	31.3
169.12294	93.3
191.05600	33.1
211.13260	33.6
229.14470	49.5
245.23611	29.5
254.88905	26.7
261.20859	32.7
280.15680	35.0
280.69299	27.8
408.13416	30.4
467.22211	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49610	4.3
59.01268	23.9
62.80482	4.4
71.59564	5.7
71.59951	7.2
78.95801	17.2
87.88451	4.6
88.09653	4.8
89.98448	5.2
95.06868	5.0
96.66611	4.5
96.95927	6.0
96.96872	7.0
99.04423	18.4
107.02515	4.8
117.80714	4.5
119.04909	5.0
145.02904	14.9
152.99516	21.9
153.26453	5.1
195.16953	5.6
239.20175	100.0
240.20369	6.2
245.04233	6.0
269.07080	11.7
329.30035	6.0
352.40958	4.9
353.69800	5.6
354.60190	5.3
407.17453	16.7
431.24490	11.9
467.23926	33.5
468.24911	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	467.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22582	10.1
59.01260	100.0
61.98720	30.4
69.44639	70.2
71.01280	16.5
86.55514	10.5
89.56149	9.0
96.95930	14.0
99.04415	15.6
101.02343	16.9
108.79059	12.2
125.02370	21.6
135.04332	11.7
161.02391	12.8
191.05559	14.2
407.18204	23.9
431.24286	24.3
483.81601	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	467.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06380	5.6
59.01268	31.4
60.61106	6.0
61.98709	17.5
63.29285	5.1
69.96941	28.8
76.67595	7.0
78.95788	9.1
83.04929	10.9
87.00764	9.4
98.19876	7.9
99.04426	71.4
117.13460	6.1
121.06512	11.3
133.02898	8.7
135.66592	5.6
152.99507	15.4
161.02495	8.7
165.16312	6.3
191.05582	7.4
240.90498	6.2
412.23972	6.3
431.24414	100.0
432.24637	18.3
443.28317	8.1
467.22037	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	467.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77565	6.7
59.01267	87.4
61.98717	100.0
66.39011	6.4
69.03345	6.3
69.93583	34.0
71.01267	17.9
73.02827	6.2
75.00777	9.0
83.88255	5.3
85.02837	12.2
87.00843	5.6
99.04438	13.7
101.02345	12.0
101.05950	9.1
113.02358	13.5
116.01066	5.7
133.02803	8.3
135.04468	10.0
139.03909	5.4
161.02361	10.9
191.05557	10.1
335.01913	6.6
349.56192	10.7
350.06357	7.8
439.91110	6.0
467.25674	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	467.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28906	4.6
56.56005	4.5
59.01262	13.4
62.48414	4.2
65.70454	4.8
68.27283	5.3
70.87346	10.9
70.87712	8.2
78.49598	4.4
78.61145	4.9
78.95795	10.0
93.03357	7.6
93.73729	4.7
99.04425	100.0
131.73334	6.1
142.15993	5.5
145.02892	14.3
152.99532	11.2
163.09410	5.3
376.42075	4.7
413.23532	16.9
431.24405	8.1
445.68130	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	467.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	53.8
61.98717	30.6
71.59991	17.4
76.89074	19.6
78.95785	36.3
99.04408	25.9
109.13607	19.0
131.32640	16.7
147.02931	20.9
152.99487	30.3
161.20802	18.0
191.05620	24.1
266.76959	16.7
319.22757	47.7
338.28888	19.1
431.24600	27.1
467.15927	33.6
467.21964	100.0
467.27759	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56763	11.3
59.01253	32.2
68.92120	12.4
69.98362	57.0
74.75103	12.6
85.49974	12.3
98.19859	17.1
99.04432	12.5
467.21985	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	467.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.2
59.01266	100.0
59.30064	0.8
60.01605	1.2
66.15307	0.9
69.99105	5.8
71.00896	1.6
71.01270	16.4
73.02840	6.1
75.00758	1.5
83.01273	3.0
85.02850	6.2
87.00783	2.1
87.04416	1.7
89.02339	12.5
93.03363	2.7
95.01250	2.0
96.95923	1.1
97.06409	0.9
98.19814	1.3
99.00764	2.3
100.35108	0.9
101.02362	14.9
113.02370	6.9
119.03418	5.3
121.02832	1.0
125.02386	2.0
129.47681	1.1
138.55226	1.1
143.03465	2.5
153.05475	1.9
154.33554	1.1
161.02411	1.2
161.04541	5.9
165.01921	2.7
168.04300	1.0
179.05548	1.2
180.04327	1.6
184.06276	1.1
187.07623	1.2
191.04077	1.3
191.05592	9.0
191.80966	0.9
193.01483	1.0
195.06598	1.6
203.12921	6.0
223.06104	2.7
231.10211	1.4
245.14030	1.8
275.09152	2.3
347.17166	23.8
348.12808	1.0
348.17413	2.4
365.18237	21.1
366.18488	1.5
407.19351	19.5
408.19836	2.4
467.15625	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	467.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13913	6.5
59.01268	100.0
61.98719	46.4
69.03349	10.7
71.01266	19.2
71.56721	7.6
71.57065	6.7
72.99191	8.4
73.02840	8.8
75.00763	13.8
75.05019	6.2
75.08544	6.2
78.95798	9.8
81.03330	18.8
82.31078	6.6
83.01249	7.5
83.04942	10.2
85.02841	12.3
89.02344	9.3
93.03404	7.3
99.04427	87.5
101.02354	18.3
101.05984	8.1
108.26252	6.9
111.04460	7.0
113.02369	9.1
121.06517	16.4
135.04462	7.9
152.99463	9.9
161.02397	7.6
173.04518	8.8
191.05585	12.2
214.93782	7.2
225.78131	7.0
242.44543	7.3
243.20744	7.3
267.06604	7.5
318.92493	7.4
347.15445	9.1
351.21756	10.1
431.24380	69.3
432.24893	15.0
467.26324	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.3
59.01266	100.0
60.01606	1.1
61.98727	0.4
70.71432	0.3
71.01272	4.9
71.16567	0.6
73.02837	2.4
75.00766	0.9
78.95788	0.3
83.01305	0.8
85.02858	2.2
87.00778	0.5
87.04451	0.5
89.02350	1.6
93.03375	0.5
95.01308	0.3
96.95956	0.3
97.06497	0.4
99.00806	0.5
101.02352	4.1
111.08093	0.7
113.02365	2.5
119.03408	0.4
133.75890	0.3
135.04451	0.3
143.03427	0.7
159.03004	0.3
161.02431	0.9
161.04489	3.4
167.03500	0.3
173.04579	0.3
173.08199	1.3
179.03546	0.7
191.05592	2.5
203.12877	3.8
221.06377	0.3
228.46617	0.3
275.09308	0.6
347.17203	5.4
348.17816	0.5
365.18240	7.9
366.18689	1.0
407.19327	10.7
408.19604	1.6
423.09692	0.3
433.91949	0.3
467.22083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01593	1.6
71.01272	4.9
71.55693	0.9
73.02823	1.5
75.00724	0.8
75.98266	0.8
78.95815	2.9
85.02838	2.1
89.02330	2.7
96.95903	3.4
96.96848	1.3
98.95492	2.3
99.00776	1.0
99.92520	0.9
101.02326	5.1
113.02346	2.8
115.91976	4.6
116.92726	1.2
125.02378	1.4
134.03671	1.3
139.94319	0.8
143.03410	1.3
149.71678	0.8
161.02397	1.1
161.04497	2.8
191.05545	4.8
192.01183	2.0
193.01636	1.1
203.30055	1.0
248.03801	2.2
249.04324	2.2
256.40811	0.9
263.65237	0.8
276.03244	0.8
292.02975	0.9
293.03296	2.8
347.17209	3.3
365.18124	6.6
407.19373	9.6
408.19794	0.9
467.08649	3.0
467.21356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.1
56.45919	0.6
57.03333	1.2
58.00488	0.7
58.02864	1.1
59.01266	100.0
60.01596	1.0
63.71627	0.6
66.01492	0.6
69.03365	1.0
69.67137	4.5
70.32075	0.7
71.01271	24.2
72.99211	1.4
73.02834	16.0
75.00768	1.2
78.95802	0.9
79.20982	0.7
81.03333	0.7
83.01291	4.2
83.74517	0.6
85.02851	8.5
87.00774	4.1
88.51210	0.6
89.02334	12.5
89.02839	1.0
90.66225	0.6
93.03386	1.8
95.01324	1.5
96.95923	1.1
97.02904	0.9
99.00800	2.1
101.02348	21.7
101.03007	1.1
101.06004	2.7
102.01891	1.8
103.03934	0.9
111.00739	0.6
113.02351	9.0
119.03424	5.3
119.08615	0.7
125.02382	2.8
131.03442	0.9
133.02919	0.9
135.04416	0.6
143.03430	3.5
149.04558	1.1
155.10794	0.7
159.02965	0.9
161.02411	1.6
161.04497	9.3
173.04449	0.9
179.05653	1.9
185.11806	0.8
191.05569	7.6
192.05963	0.9
203.05692	1.3
203.12880	5.4
221.06685	0.6
233.24677	0.6
247.08325	1.5
248.04066	0.8
249.43198	0.6
269.14172	2.1
299.15250	0.6
323.09927	1.6
329.16223	1.0
337.09528	1.1
347.17188	19.7
348.17636	1.5
365.18210	19.2
366.18677	1.5
383.12051	1.0
407.19260	16.1
407.24307	0.9
408.19766	1.8
421.00119	0.8
423.09659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.1
59.81065	0.7
60.96619	0.7
60.99186	2.5
67.01767	4.7
69.03355	1.5
69.78166	4.1
71.01278	2.6
74.12724	0.7
75.03926	0.7
78.95795	87.1
83.04924	1.1
85.02866	1.9
87.00779	7.7
87.01281	1.0
93.03363	36.9
94.03696	1.6
94.79658	0.8
96.96866	74.0
97.06474	1.6
98.04991	0.7
99.00793	0.8
99.04385	0.8
109.02881	2.1
110.70043	0.7
111.00779	1.2
111.04452	5.8
113.65420	0.7
129.01889	1.6
133.02904	1.2
134.03673	33.2
135.04498	8.3
136.01576	1.1
137.02409	4.2
151.03922	0.9
152.04347	0.7
155.03471	2.2
173.04527	24.5
174.04872	0.9
177.01910	3.6
178.02693	9.5
179.03441	3.2
191.05592	9.7
231.10335	2.1
233.09506	100.0
234.09769	5.8
275.09393	3.4
293.10391	21.2
293.13565	1.3
294.10834	3.0
449.14835	4.7
450.14700	1.2
467.15689	16.6
468.15988	2.8
468.86368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45664	1.1
55.08146	1.2
57.03317	3.9
58.00473	3.2
59.01264	94.2
60.99182	6.5
61.46722	1.0
67.01778	15.6
69.03333	4.9
70.68656	2.8
70.69017	2.4
71.01267	23.2
71.04938	1.1
72.99193	1.3
73.02829	11.5
81.03336	3.4
83.01271	3.3
83.04898	7.2
85.02840	12.5
85.99948	1.1
87.00768	23.2
87.04393	3.4
89.02318	3.8
93.03356	100.0
94.03686	4.2
95.01218	1.5
97.06452	2.3
99.00777	3.9
99.04407	2.1
101.02346	13.5
109.02827	4.2
110.07121	1.8
111.00792	3.0
111.04424	16.1
112.56534	1.2
113.02351	10.6
113.05987	10.2
119.04923	1.3
120.99532	1.1
121.02848	1.6
127.03890	1.4
129.01802	3.7
132.02066	1.5
133.02882	10.5
134.03670	42.4
135.04488	15.3
137.02374	10.9
139.03911	3.4
143.03441	2.2
145.02882	1.5
147.04373	2.1
149.06058	2.5
151.03925	1.8
155.03418	5.4
160.01601	6.3
161.02362	2.4
161.04477	5.3
161.05922	1.3
163.03891	1.5
165.09067	1.6
173.04501	55.7
174.04831	3.6
175.03975	6.6
177.01883	11.5
178.02650	29.2
179.03485	12.1
191.05577	38.4
191.07346	2.1
192.05849	2.0
193.05019	8.0
231.10214	3.8
246.57710	1.1
275.09296	11.1
293.10385	24.2
347.17056	5.2
365.18231	3.3
407.19107	8.3
449.08429	1.9
449.14615	34.4
450.14633	5.0
467.15561	41.6
467.26065	1.7
468.15765	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	467.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04760	2.2
57.03346	5.0
59.01261	57.8
63.20220	1.9
65.45228	2.4
66.46557	2.4
68.46255	2.0
69.03345	6.5
71.01279	12.9
71.57623	2.6
71.98971	2.4
72.99175	5.8
73.02834	2.5
75.00760	6.7
78.95813	2.5
79.53019	2.4
81.03358	5.5
83.01270	4.6
85.02836	18.7
87.00767	41.7
89.02321	5.9
93.03352	15.1
95.01334	2.4
95.04906	2.8
96.95936	4.5
97.02885	6.3
99.00812	2.2
99.04427	5.7
101.02342	5.3
107.04948	7.1
108.02071	3.8
109.02862	10.4
111.00806	16.2
111.04432	8.9
113.02359	5.9
115.91994	27.4
116.92754	12.2
117.03359	7.0
121.02864	6.1
123.04415	4.0
125.02400	2.6
127.03911	9.3
129.01846	15.4
133.02878	27.0
134.03638	9.5
135.04448	56.5
137.02332	4.7
138.10651	2.7
139.03917	4.2
145.02879	5.5
149.06053	3.1
155.03529	3.3
157.04997	3.3
159.04454	7.6
161.02388	79.0
162.02777	3.6
163.03954	5.6
171.02950	18.4
171.29575	2.5
173.04526	17.1
173.06004	5.2
177.05556	5.4
178.02740	3.1
178.04979	2.3
179.03447	53.9
180.03882	2.8
181.05045	2.8
187.07632	16.8
191.05577	100.0
192.05910	2.7
193.05037	9.2
201.03990	14.2
202.06339	2.9
203.03555	3.5
203.10658	3.6
206.04599	7.9
210.97055	3.0
221.04518	4.7
228.98068	5.3
231.10268	13.6
233.04535	2.6
243.05089	7.2
249.06104	2.9
249.11475	3.1
251.05663	17.1
261.06226	6.4
261.95792	3.4
275.09305	48.4
276.09671	4.0
293.10312	5.3
319.08368	5.1
357.89453	2.3
363.07245	6.2
367.10373	3.3
371.06110	2.8
381.08438	11.0
423.09390	61.5
424.09949	6.7
437.01782	3.1
449.14417	11.4
467.17255	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	467.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02272	0.5
57.03349	0.6
59.01271	4.7
60.99188	1.0
61.98718	0.9
62.68084	0.6
63.84954	0.5
65.00209	0.7
67.01771	4.8
69.03342	2.2
70.58147	1.0
70.58481	0.9
71.01263	2.4
73.02834	0.7
78.95802	0.9
79.01772	0.6
80.04859	0.6
81.03354	6.2
81.69537	0.5
83.01278	0.8
87.00768	4.1
93.03360	17.4
95.01295	6.0
97.02859	0.6
99.00805	0.6
107.01305	7.5
108.02098	1.5
109.02875	2.6
111.04437	3.0
119.04977	1.0
121.02942	0.6
123.00800	13.9
125.02367	11.8
133.02876	1.6
134.03661	1.6
135.04465	2.9
137.02393	2.7
139.03943	0.7
151.00314	69.2
152.00774	2.2
153.01860	2.4
155.03595	0.6
161.02367	2.3
163.04012	0.7
172.01614	0.6
173.04497	9.4
175.03964	0.6
178.02678	1.6
179.03418	2.1
180.04291	0.6
186.03143	0.9
187.03891	0.6
191.05568	1.9
197.02385	0.9
198.03116	1.2
199.03993	5.6
201.01913	2.6
203.10760	0.8
214.02715	2.3
215.03506	6.4
216.04262	0.7
225.01945	1.3
226.02666	1.9
227.03531	4.9
229.01463	1.4
241.01381	4.1
242.02231	25.4
243.03017	44.8
244.03421	4.0
245.00883	3.7
255.03082	1.3
257.04611	11.5
258.04941	0.9
270.01752	26.4
271.02527	50.2
272.02945	4.4
282.01624	0.9
285.04117	29.5
286.04739	7.7
298.01239	4.2
299.02017	5.9
300.02750	10.7
301.03024	1.2
312.99838	1.5
313.03607	72.4
314.04373	100.0
315.05026	25.7
316.05417	2.1
405.49573	0.6
449.14725	10.9
450.14810	1.0
467.05969	1.5
467.15149	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	467.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39303	0.2
59.01266	3.1
61.98717	2.6
63.02284	1.0
64.53776	0.3
65.00204	1.4
65.00504	0.3
66.12328	0.3
71.01250	0.8
71.59579	0.5
72.99156	0.4
78.95768	0.4
79.34827	0.2
83.01288	0.8
87.00744	0.3
89.02319	1.1
95.01269	0.4
99.04390	0.4
107.01307	2.2
109.02879	1.4
113.02346	0.7
119.03448	0.3
121.02792	0.4
124.01627	0.3
125.09639	0.3
133.02887	2.7
134.03668	0.7
135.00760	0.4
135.04401	0.5
143.04912	1.1
145.02831	0.4
149.02437	0.3
151.00323	3.2
152.01048	0.3
152.99551	0.3
155.04968	0.5
157.02867	1.1
159.04443	0.6
161.02443	1.5
163.00340	0.5
167.02122	0.3
167.03458	3.4
169.02843	0.4
171.04480	3.1
173.02325	0.5
175.03961	1.7
177.01865	0.3
178.99799	0.3
179.03526	0.3
182.03700	0.4
183.04411	0.6
187.04036	1.7
191.05608	0.4
193.05046	0.5
197.02339	0.6
198.03180	0.9
199.03987	7.5
200.04294	0.5
201.01888	2.4
203.03506	1.0
203.11121	0.3
213.01881	0.3
214.02512	0.3
215.03481	2.4
226.02719	2.0
227.03482	3.7
228.03897	0.5
229.01732	0.3
242.02245	0.8
243.03015	7.1
244.03345	0.4
255.03036	2.2
271.02536	54.0
272.02850	4.2
282.01608	0.6
283.02518	0.4
291.12854	0.5
299.02036	100.0
300.02496	11.4
301.03467	3.4
337.23834	0.3
384.77881	0.4
466.25272	0.4
467.25830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20113	0.4
50.72668	0.3
59.01260	4.4
60.01611	0.6
61.01709	0.5
61.98716	100.0
69.84152	1.0
69.84565	1.3
74.00476	0.4
78.11485	0.4
78.95808	2.0
87.00777	1.5
87.14550	0.4
89.01229	0.5
89.57035	0.4
93.60358	0.4
96.95925	0.8
99.04443	0.7
133.02902	0.5
152.99513	2.9
158.92818	0.4
161.02438	1.4
162.02742	0.5
191.05554	0.9
260.92151	0.4
298.24661	0.5
389.16620	1.6
406.22958	0.6
407.17807	1.0
431.24762	1.4
466.25305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.295
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
56.18367	0.3
57.07449	0.3
59.01250	1.1
59.03179	0.3
78.95795	21.6
96.96824	0.4
110.33042	0.4
122.00056	0.7
140.01118	5.1
152.99568	2.7
171.00586	1.4
184.63217	0.3
196.03781	9.5
197.04128	0.3
214.04866	2.2
218.65274	0.3
222.57088	0.3
269.24918	100.0
270.25259	9.8
287.51694	0.3
351.63403	0.4
462.72598	0.3
466.29517	38.0
467.29910	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	465.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00718	0.4
57.03337	0.9
59.01263	100.0
60.01595	1.3
61.45894	0.3
61.98713	1.3
65.23078	0.4
69.03338	2.0
71.01272	1.0
71.58877	0.7
72.99197	6.8
73.02836	0.6
78.95790	2.9
83.04891	0.9
85.02857	1.2
89.02343	2.0
97.02869	0.9
97.06516	0.4
99.04411	6.8
101.06008	0.6
113.02377	1.4
114.61433	0.4
115.03941	1.1
123.08098	0.8
135.04420	0.4
152.99530	2.8
161.02425	1.6
173.04550	0.4
189.09276	0.6
191.05602	1.0
242.05859	0.4
275.20456	0.4
276.55515	0.4
289.21774	0.4
300.02945	0.4
303.19815	0.9
315.19873	1.2
321.20752	0.5
333.20770	18.2
334.21109	3.1
403.25168	0.9
405.22900	4.4
421.25995	0.5
447.24423	0.5
465.15488	0.5
465.25137	13.5
466.25540	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	465.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24415	0.3
55.01776	1.3
57.03334	1.4
58.00499	0.4
59.01266	64.9
60.01604	0.6
61.72731	0.3
68.99679	0.3
69.30483	1.1
69.30904	2.2
71.01270	13.7
72.99191	1.4
73.02840	6.8
78.95757	0.5
80.03798	0.3
81.03355	0.4
83.01270	3.7
83.04894	0.4
85.02846	9.1
85.06477	0.4
85.99984	0.7
86.03216	0.4
87.00776	1.3
89.02337	3.0
90.97153	0.3
93.03381	2.0
95.01299	1.4
96.96893	0.4
97.02859	0.7
99.00779	2.8
101.02348	13.9
102.02718	0.4
109.02903	0.4
111.00798	0.8
111.04439	0.6
113.02355	6.3
114.02703	0.4
119.03461	0.9
119.04974	0.5
123.04425	0.3
125.02441	0.7
125.06059	0.3
129.01895	0.4
132.05713	0.4
133.02875	0.8
134.03664	0.6
135.04478	2.1
137.02388	0.7
137.91406	0.3
142.34578	0.5
145.02827	0.7
151.00374	0.7
155.03468	0.5
159.02963	1.0
159.04486	0.8
161.02448	2.8
161.04494	2.6
163.03963	0.6
173.04489	2.8
179.03500	0.8
191.05559	5.4
192.05957	0.6
211.07619	1.5
227.03523	1.1
243.19664	0.8
255.03079	2.0
284.00436	0.4
284.03284	2.0
285.04083	2.2
285.20853	0.6
303.07007	4.2
303.21777	1.8
303.57135	0.7
353.09161	0.5
356.09183	0.9
395.63983	0.3
405.25192	2.3
443.65033	0.4
447.09729	0.8
447.26141	3.6
448.26190	0.6
465.27136	100.0
466.27496	15.3
492.80338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.0
59.01266	100.0
66.87515	0.4
70.92931	0.9
70.93269	0.7
71.01276	6.8
77.80796	0.5
84.25819	0.5
85.02859	1.1
89.02338	11.1
97.02865	0.5
101.02357	5.7
113.02376	3.6
114.13505	0.5
119.03425	6.9
131.03400	0.6
143.03476	1.6
161.04558	2.2
165.26599	0.5
167.10713	0.6
179.05576	4.8
183.05547	0.5
225.33812	0.5
227.79625	0.5
295.19757	0.5
405.21423	6.7
406.21826	0.9
437.63705	0.6
445.50949	0.6
465.23764	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	465.2501
Annotation	CHEBI:83024
Peak:m/z	Relative Intensity
57.03319	3.5
59.01266	6.4
61.98713	1.5
70.59554	2.7
70.59902	1.0
71.01276	8.1
71.04905	2.0
72.99194	1.2
73.02830	4.2
78.95788	5.3
81.03356	3.7
83.04949	1.0
85.02825	4.7
87.04405	8.7
89.02329	1.4
97.02836	1.0
97.06482	0.9
99.04417	45.5
100.04739	1.0
101.02348	2.1
113.02361	4.7
115.03944	2.1
117.05522	0.9
119.03439	0.9
122.99077	1.3
143.03448	0.9
152.99524	7.7
153.09119	1.0
177.12787	1.2
219.35350	0.8
233.19115	2.3
259.20743	4.3
261.18674	1.4
277.21744	2.1
285.18649	1.0
303.19742	4.0
305.21277	1.4
321.20764	30.5
322.21231	3.9
339.21793	13.2
340.22217	1.0
365.19699	11.1
377.23340	2.0
421.25980	5.5
465.25018	100.0
466.25409	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	465.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76363	1.0
59.01265	100.0
60.01583	1.1
68.68992	0.8
69.10398	0.7
71.01260	9.1
71.56035	1.2
72.99199	1.0
73.02831	1.3
74.00340	0.7
78.95818	0.9
84.60387	0.8
85.02804	1.0
87.00754	1.2
87.65224	0.8
89.02342	10.3
93.03355	1.1
96.95889	3.4
96.96876	0.8
98.02370	1.0
101.02357	5.5
113.02354	4.4
113.91435	0.7
115.91907	0.8
116.92767	2.5
119.03429	5.7
143.03477	1.0
161.04539	1.3
163.99321	1.3
165.00128	1.5
173.04410	0.9
177.99634	2.2
179.05597	4.5
191.00374	2.7
191.05586	5.8
192.01202	10.5
205.02168	0.9
248.03923	16.7
274.01654	0.9
292.02893	12.4
340.66254	0.9
373.13535	0.9
405.21558	5.1
409.26065	0.9
449.20898	0.8
465.15576	0.9
465.23523	1.1
466.08224	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	465.227
Annotation	Isofissistin
Peak:m/z	Relative Intensity
50.73295	0.1
56.14781	0.2
59.01263	1.0
61.98720	0.4
62.96288	0.4
69.05672	0.1
69.34270	0.3
69.34677	1.6
70.47953	0.1
71.01270	0.8
71.04907	0.2
72.99166	0.2
73.02833	0.2
78.95793	53.5
85.02811	0.5
86.99631	0.2
87.00772	0.4
89.02309	0.2
96.96864	6.4
99.04395	0.6
101.02351	0.2
101.05981	0.3
111.31831	0.1
113.02342	0.7
115.03900	0.5
124.79864	0.2
150.97945	1.4
152.99524	100.0
153.99847	1.9
161.04506	0.2
170.99219	0.3
171.00603	4.6
181.48627	0.2
191.05630	0.2
231.06674	0.2
232.06981	0.2
311.22165	0.3
316.92834	0.2
421.25336	0.6
465.22668	24.0
466.22787	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2351
Annotation	Rhodioloside E
Peak:m/z	Relative Intensity
55.01770	4.0
57.03339	4.5
58.00466	2.6
59.01263	69.0
60.01579	1.2
62.67859	0.5
69.03333	2.2
69.22620	5.8
71.01269	69.7
72.01612	0.9
72.99191	3.4
73.02835	27.7
75.00761	3.5
78.95779	1.8
81.03348	1.4
83.01277	10.3
85.02840	27.2
87.00777	4.8
89.02337	32.6
93.03340	2.7
95.01281	4.4
96.96835	1.3
97.02889	3.2
99.00780	14.9
99.04404	1.3
101.02347	54.4
102.02657	0.9
111.00755	1.4
111.04423	0.8
113.02352	25.0
113.05966	1.0
115.03905	2.9
119.03400	4.5
119.04927	1.9
125.02365	6.1
125.05956	1.0
127.03944	0.7
129.01794	0.9
131.03432	4.5
135.04448	0.7
143.03442	3.6
145.02870	1.1
145.22012	0.6
149.04485	6.4
149.40630	0.7
151.00288	0.7
155.03255	0.7
159.02895	4.7
161.02357	1.4
161.04498	26.2
162.04849	0.7
163.03909	1.0
171.13893	1.3
173.04497	2.1
179.05484	0.8
191.05597	10.7
205.03442	1.1
215.05623	0.7
227.03453	0.7
233.06693	5.0
255.02928	1.8
273.02841	0.9
284.03244	1.0
285.04022	2.8
287.11319	0.9
293.08795	3.9
296.06039	0.8
301.03470	0.9
302.03455	1.5
303.21634	0.7
333.19244	49.6
334.19675	3.9
337.09406	0.6
356.62372	0.7
446.35056	0.6
465.09683	2.2
465.23392	100.0
466.23767	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	465.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66674	0.1
57.03350	0.2
57.71047	0.1
59.01268	1.3
61.98713	0.5
62.96291	0.3
69.03346	0.2
70.85242	0.1
71.01279	0.8
72.99188	0.2
78.26558	0.1
78.95792	50.9
85.02829	0.8
87.00785	0.3
89.02357	0.4
93.03370	0.2
95.01291	0.1
96.96859	6.3
99.04409	0.9
101.02293	0.2
101.06002	0.2
113.02361	0.7
115.03918	0.4
121.06520	0.5
123.08078	0.1
133.02855	0.3
135.04472	0.1
150.97971	2.0
151.11171	0.2
152.99522	100.0
153.99870	1.6
161.02399	0.5
161.04535	0.1
168.86632	0.1
171.00595	4.5
179.22623	0.1
191.05568	0.2
211.13351	0.2
271.02274	0.1
289.21793	0.3
298.31946	0.1
305.21173	0.3
311.22351	0.2
329.89807	0.1
349.20258	0.2
351.21671	0.4
465.22638	19.8
466.22897	2.5
493.80026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35799	4.2
57.03334	10.3
59.01267	61.0
61.98698	4.7
66.86122	3.6
69.03342	9.2
69.41557	32.7
71.01276	5.9
71.04904	7.1
72.99190	6.3
78.95798	34.5
83.01268	6.6
83.04916	5.8
85.02816	4.9
87.00761	11.9
93.03350	4.3
99.04420	100.0
100.04725	5.5
105.26302	3.8
109.06458	3.9
113.02387	6.3
121.06511	4.8
135.04471	5.7
152.99545	35.0
161.02411	19.5
167.10715	6.5
177.90347	3.5
197.00383	6.2
219.90002	4.0
249.18581	13.5
264.37994	4.7
294.61246	3.8
317.21887	3.9
320.23099	7.1
321.23538	5.6
405.15826	4.4
447.23987	8.8
465.12259	9.0
465.24863	41.0
466.24881	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	465.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.5
59.01249	2.0
61.07485	0.4
61.88838	0.4
67.50362	0.5
71.01257	0.9
71.56913	0.5
78.95796	1.1
85.02843	4.5
87.00777	1.0
89.02277	0.4
93.03351	1.5
96.95890	0.7
96.96861	0.7
104.57036	0.4
109.02852	0.5
111.04398	0.9
124.00655	0.8
127.03939	1.3
135.04420	1.2
155.03467	0.6
161.02370	1.3
173.04459	1.0
179.03516	1.9
191.05577	100.0
192.01241	0.7
192.05905	4.3
202.43826	0.5
248.03883	1.0
353.08823	17.1
354.09152	1.8
423.63083	0.6
429.40253	0.5
466.08307	0.5
469.46362	0.5
491.76392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.141
Annotation	Saccharumoside B
Peak:m/z	Relative Intensity
52.40387	0.5
55.01763	1.2
57.03315	0.9
59.01261	12.8
61.98697	0.9
64.61480	0.6
68.93924	0.5
68.99704	1.3
69.03334	1.0
71.01268	12.4
72.99191	1.0
73.02835	2.9
75.00771	1.1
78.95786	0.6
83.01264	3.1
85.02842	6.4
87.00766	1.5
89.02333	2.9
93.03355	59.3
94.03687	2.1
95.01293	2.9
96.95897	1.2
96.99208	1.6
97.02835	1.0
98.19847	1.2
99.00783	1.5
101.02354	10.1
107.04905	0.6
108.02080	2.7
109.02865	0.7
111.00804	0.9
113.02370	5.4
119.03415	1.0
119.04929	1.3
121.02860	3.9
122.03653	2.4
123.00754	0.6
123.04408	1.1
125.02365	3.5
133.02887	0.7
134.03629	0.5
135.00887	0.5
135.04465	2.2
136.01598	5.9
137.02371	86.1
138.02695	3.8
140.44739	0.7
143.03410	1.2
143.93553	0.5
145.02974	0.6
147.04437	1.4
149.02388	1.9
149.04494	0.6
150.03189	2.9
151.03934	2.4
153.01874	11.1
153.05505	4.7
154.02634	0.9
161.02388	2.1
161.04465	1.1
163.03946	1.1
165.05515	1.0
168.04231	21.1
169.04842	1.0
173.04485	1.6
175.04073	0.8
175.07529	0.6
177.01938	1.2
177.05568	0.6
179.03459	1.7
183.06590	46.8
184.06931	1.8
185.11835	1.9
191.03540	1.6
191.05559	12.5
192.05830	0.6
195.06699	0.8
209.04541	1.0
221.04599	1.4
265.07263	0.8
281.06720	63.7
282.07056	5.3
362.97375	0.6
405.17642	1.3
465.14160	100.0
466.14536	12.6
466.19907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80410	0.2
59.01268	20.6
60.01599	0.2
61.98721	100.0
71.01279	2.5
73.02844	1.3
75.00755	0.3
78.95850	0.3
79.88133	0.2
83.01284	0.4
85.02853	1.3
86.03226	0.2
89.02346	1.3
93.03362	0.4
101.02353	2.1
113.02361	1.6
119.03431	0.5
132.04488	1.1
133.05287	0.3
136.07651	0.8
143.03339	0.3
161.04501	0.5
165.04227	0.7
191.05646	0.4
192.03648	0.3
208.04364	0.3
257.12997	1.8
301.12180	0.3
357.19345	0.3
401.16693	0.3
464.18246	4.4
464.23975	0.4
465.18866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	21.2
60.01593	0.3
61.98718	100.0
69.03345	0.3
69.46924	1.6
69.47348	0.7
71.01273	5.0
72.01623	0.3
72.99205	0.5
73.02834	3.3
74.47870	0.3
75.00787	0.3
78.95798	0.7
83.01283	2.0
85.02852	1.8
87.00788	0.6
89.02335	1.5
95.01290	0.6
98.20579	0.5
99.00819	0.2
99.04427	0.5
101.02346	5.3
113.02354	3.3
119.03440	0.6
131.03439	0.7
143.03476	0.7
147.62148	0.2
149.04509	0.8
152.99519	0.5
161.04482	1.8
173.04417	0.3
179.05479	0.3
191.05630	0.9
397.70810	0.3
464.21851	1.3
464.28061	0.5
465.25107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02216	2.2
57.29361	2.1
59.01267	32.4
60.01602	4.8
60.11613	1.9
60.55135	1.9
61.01689	6.1
61.98722	100.0
74.17697	2.1
81.67642	2.1
85.02862	3.4
86.76759	2.2
87.04424	14.4
94.65115	2.2
99.04427	2.2
99.92466	3.1
103.34771	2.0
122.89432	2.1
151.46490	2.0
298.37848	2.1
317.21347	4.8
335.22287	6.7
362.22800	2.8
378.25671	7.9
386.22614	3.1
403.23050	2.1
404.23773	24.6
405.26868	27.7
454.04218	2.0
464.25754	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	464.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91050	0.8
56.04781	0.9
59.01263	5.9
61.98724	100.0
62.07094	0.9
65.39977	0.7
71.61543	1.0
71.61896	1.0
193.52205	0.7
194.59494	0.9
199.53519	0.9
209.11909	0.9
270.34177	0.8
294.87741	0.9
300.96173	0.8
301.00040	0.8
405.21835	1.0
484.41721	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13132	0.3
56.95003	0.3
59.00821	0.4
59.01266	19.7
61.98718	100.0
64.78909	0.3
69.03345	0.4
71.01283	2.4
71.40461	0.5
73.02856	0.5
78.95824	0.3
80.80522	0.3
83.01292	0.4
83.50745	0.3
85.02869	1.3
87.00770	0.5
89.02379	0.6
93.03359	1.1
94.48170	0.4
97.02845	0.4
99.00800	0.4
101.02370	1.1
113.02370	1.0
121.11526	0.3
135.04384	0.3
160.01614	0.9
173.04547	0.5
175.03990	1.0
176.04430	0.4
191.05585	2.7
193.05046	0.4
198.16058	0.3
261.11465	0.5
266.04691	0.3
306.40674	0.3
315.18222	1.2
357.19275	0.5
405.12015	0.4
446.10934	0.3
463.23206	0.7
463.72919	1.5
464.23492	1.6
465.14862	0.4
482.87769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.4
59.01265	22.4
60.01602	0.4
61.98716	100.0
71.01266	1.8
73.02842	1.1
78.95797	0.5
82.40891	0.3
85.02837	1.6
89.02354	0.5
93.03375	0.5
95.92953	0.3
97.02856	0.4
99.00734	0.4
101.02349	1.7
110.59050	0.3
113.02374	1.0
115.03958	0.5
119.05009	0.4
124.89616	0.3
137.02394	0.7
161.02470	0.6
161.04568	0.7
163.03992	0.3
181.28960	0.3
191.05609	0.8
245.89134	0.3
258.02032	0.3
285.00745	0.4
299.02084	0.3
301.03088	0.3
314.00925	0.3
315.18185	2.0
334.21475	0.3
357.19440	0.7
464.24081	0.6
465.04819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	24.5
60.01599	0.4
60.31921	0.2
61.54826	0.2
61.98717	100.0
65.37716	0.2
69.03336	0.2
69.53106	2.0
71.01268	2.2
73.02839	0.9
76.51870	0.2
78.95794	1.8
83.01279	0.4
85.02840	1.4
87.00790	0.4
89.02321	0.3
99.04461	0.3
101.02338	1.7
113.02372	1.0
115.03951	0.3
116.92829	0.4
123.05834	0.2
133.02884	4.1
135.04449	0.8
137.02386	0.4
152.99565	1.5
159.02950	0.2
161.02396	9.8
161.04364	1.1
177.25922	0.2
179.03496	0.6
191.05586	0.3
242.93271	0.3
301.03360	0.4
312.53000	0.3
315.18216	3.7
316.18765	0.5
357.19223	4.1
357.23187	0.3
358.19705	0.7
373.51962	0.3
401.18256	0.5
463.72824	1.2
464.09171	0.3
464.23416	0.7
465.17734	5.9
465.24118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2716
Annotation	Hirsutalin D
Peak:m/z	Relative Intensity
51.65608	6.9
59.01263	76.7
61.98731	16.0
69.61360	59.3
70.34451	6.0
71.01268	9.9
78.55061	6.8
85.02850	49.2
87.00799	10.2
89.02380	8.7
96.95901	8.7
98.20586	8.6
99.04439	16.7
102.80293	6.6
140.64604	6.8
151.00345	7.2
174.63652	6.4
191.05717	8.0
193.73167	6.4
194.98769	7.6
208.50865	7.0
271.02527	21.0
295.22870	9.8
300.02661	11.5
316.02350	9.3
317.21249	8.0
403.20187	11.4
403.25000	100.0
404.25131	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	463.2713
Annotation	Hirsutalin D
Peak:m/z	Relative Intensity
55.01752	4.7
59.01260	28.8
59.48157	1.9
67.01793	2.0
71.57919	3.6
72.05576	1.8
78.95782	11.2
83.04916	5.8
85.02840	29.8
87.00772	3.2
99.04419	5.7
123.08126	2.9
145.06076	4.1
152.99564	4.6
216.21111	1.9
217.00333	3.3
255.02946	2.7
271.02618	4.7
295.22766	7.3
299.16296	8.0
300.02783	9.9
301.03525	6.6
315.16025	3.6
317.17401	6.2
317.21292	10.9
403.25009	100.0
404.25137	15.6
463.08871	10.1
464.09717	2.5
464.28064	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09954	3.1
52.53697	2.6
52.84333	3.4
54.70926	3.2
55.02949	3.7
59.01255	3.9
64.33718	3.6
71.20951	4.7
71.21285	5.9
83.04910	28.5
101.05977	23.3
125.27835	3.1
181.57471	3.4
301.21774	9.5
319.22794	10.6
354.43356	3.9
403.28632	100.0
404.28983	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	464.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96648	0.3
58.37704	0.3
59.01268	2.5
61.98719	100.0
64.52575	0.3
66.49210	0.3
68.37066	0.3
70.62507	0.4
71.01265	1.7
71.57876	0.5
73.02863	0.4
74.11111	0.3
75.00768	0.6
85.02864	1.0
87.00787	0.9
89.02348	0.8
93.03394	0.9
96.95927	1.4
99.00783	0.3
101.02354	0.7
113.02365	1.0
158.06172	0.4
161.04590	0.4
173.04616	0.4
191.05565	2.1
202.05006	0.4
220.06206	0.4
228.48289	0.3
254.11594	0.3
257.31186	0.4
257.69946	0.3
376.11786	0.4
402.14868	0.7
403.15234	0.7
404.15350	1.7
405.15030	0.3
427.24371	0.3
464.12683	0.6
465.14587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13661	2.8
54.07647	2.9
58.71812	3.1
59.01263	45.5
60.01606	3.1
61.98724	5.1
66.75870	3.0
67.98402	2.9
68.68469	2.8
70.89346	3.1
71.60764	5.2
78.95798	7.5
85.02844	100.0
86.03188	4.3
87.00775	9.9
89.11694	3.2
99.04453	14.9
118.79698	3.3
121.02880	32.8
143.03409	4.2
152.99548	8.8
155.67783	3.1
191.05533	4.8
191.75122	3.7
209.11792	3.2
217.00342	18.9
263.83698	3.2
278.74048	2.8
317.21344	5.7
319.22861	13.6
403.25064	86.7
404.25464	14.6
463.23782	6.2
464.30450	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	463.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13661	2.8
54.07647	2.9
58.71812	3.1
59.01263	45.5
60.01606	3.1
61.98724	5.1
66.75870	3.0
67.98402	2.9
68.68469	2.8
70.89346	3.1
71.60764	5.2
78.95798	7.5
85.02844	100.0
86.03188	4.3
87.00775	9.9
89.11694	3.2
99.04453	14.9
118.79698	3.3
121.02880	32.8
143.03409	4.2
152.99548	8.8
155.67783	3.1
191.05533	4.8
191.75122	3.7
209.11792	3.2
217.00342	18.9
263.83698	3.2
278.74048	2.8
317.21344	5.7
319.22861	13.6
403.25064	86.7
404.25464	14.6
463.23782	6.2
464.30450	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	463.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30922	0.2
57.03332	0.8
57.75986	0.3
59.01265	3.8
71.01263	0.3
78.95796	6.1
80.57805	0.3
83.04939	0.3
87.00767	0.7
94.78587	0.3
95.37794	0.3
97.06480	0.4
98.20568	0.7
98.65279	0.3
99.04419	0.4
99.08028	0.3
110.98439	6.2
113.09636	2.1
152.99484	0.7
167.01134	1.7
171.10233	0.8
177.12781	0.3
179.14357	1.1
181.12271	0.7
183.10275	0.3
185.02174	5.7
186.17850	0.3
195.13889	18.7
196.14243	0.9
229.26512	0.3
251.23834	0.7
262.27817	0.3
277.21796	17.0
278.22095	2.3
287.06818	0.3
294.21518	0.4
295.22852	100.0
296.23193	10.9
346.47318	0.3
403.21585	0.4
463.24783	26.8
464.25140	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	463.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.7
59.01266	9.4
63.48919	0.5
63.95540	0.6
69.03370	0.7
71.01292	0.6
71.58642	0.7
72.82780	0.5
78.95792	10.0
83.04926	0.8
87.00784	2.1
89.02350	0.7
99.04432	1.7
99.08027	0.7
107.22182	0.6
110.98445	6.4
115.19394	0.6
125.09662	1.3
127.11201	0.6
133.02875	1.0
151.11266	0.6
152.99518	3.4
161.02376	0.8
167.01093	3.3
171.10228	30.1
172.10567	2.0
183.10201	1.4
185.02199	8.7
191.05496	0.9
194.98888	2.1
195.13840	0.6
216.58696	0.6
217.00333	1.7
233.22992	0.8
239.20280	1.0
255.03017	1.6
259.20486	0.7
265.21887	1.1
266.22104	2.3
271.02557	4.2
277.21790	32.7
278.22171	3.9
295.22849	100.0
296.23193	11.0
300.02783	5.2
301.03525	3.0
383.04309	0.6
463.09164	4.6
463.24768	21.3
464.25244	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	463.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.2
57.03314	0.2
59.01265	100.0
60.01599	1.0
61.98724	0.7
69.03345	0.3
70.74950	0.3
70.75289	0.2
71.01261	1.2
71.04915	0.4
73.02846	0.4
75.66094	0.1
78.92549	0.2
78.95795	0.5
83.01257	0.2
85.02840	0.9
87.00800	0.4
89.02342	0.2
99.00816	0.2
99.04409	1.1
101.02374	0.7
113.02379	1.4
115.03932	0.9
125.02505	0.2
135.04405	0.2
151.00328	0.3
152.99541	0.5
153.09116	0.2
161.02458	0.2
161.04559	0.3
166.35544	0.2
203.40823	0.2
214.51282	0.2
255.03214	0.3
271.02609	0.7
276.61609	0.2
300.02774	1.1
301.03549	0.6
303.19601	0.2
319.19324	0.2
321.20813	0.4
331.93805	0.2
349.20248	0.4
361.22449	0.4
419.24475	0.6
463.09171	0.9
463.23355	2.8
463.33041	1.0
464.23663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48043	0.3
57.03345	0.8
59.01264	5.6
61.98737	0.6
65.60567	0.3
71.01279	0.5
71.04923	0.5
71.56420	0.3
74.60198	0.3
78.95794	9.0
83.04945	0.5
87.00809	1.0
89.02302	0.3
99.00868	0.3
99.04415	1.7
99.08062	0.4
107.01330	0.3
110.98442	5.8
110.99135	0.5
113.09631	1.9
115.03915	0.4
125.09655	0.4
133.02928	0.7
135.04440	0.3
149.00047	2.8
152.99550	1.1
160.89195	0.4
161.02419	1.5
162.02774	0.4
167.01126	2.3
171.10219	3.2
175.03963	0.7
177.12836	0.4
179.00020	0.3
179.14368	0.9
181.12343	0.7
183.13824	2.6
185.02168	6.1
191.05548	0.5
194.98840	9.6
195.00583	0.7
195.13890	14.0
196.14244	1.0
209.11938	0.4
214.04982	0.4
239.20149	0.6
251.23763	0.4
255.03014	0.8
265.21777	3.8
266.22110	8.8
267.22452	0.6
271.02621	2.2
277.21793	15.8
278.19373	0.3
278.22018	1.6
279.61676	0.4
289.40253	0.3
293.21445	0.5
295.22845	100.0
296.23209	10.8
300.02780	3.5
301.03531	1.2
319.22845	1.5
359.25058	0.4
376.05490	0.3
403.21655	0.7
440.87289	0.4
463.11325	5.8
463.24796	19.6
464.10992	0.7
464.25067	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	463.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68612	0.3
56.38585	0.3
57.03316	0.8
57.76851	0.3
59.01263	6.6
60.01588	0.3
61.98721	0.4
69.06892	0.3
69.46680	2.3
71.04908	0.5
78.55711	0.4
78.95791	6.1
83.04915	0.3
87.00761	1.2
97.06500	0.5
99.04397	1.2
110.98434	5.1
113.09641	1.6
120.14305	0.3
152.99503	1.1
161.02325	0.3
161.39430	0.3
167.01105	1.9
171.10223	0.5
177.12810	0.4
179.14337	0.8
181.12305	0.4
185.02170	6.0
185.03845	0.4
195.13872	15.5
196.14168	1.0
217.00273	0.4
251.23869	0.4
255.03029	0.6
260.50412	0.3
271.02539	0.9
277.21777	13.8
278.22083	1.4
293.21164	0.4
295.22842	100.0
296.23178	11.2
296.25821	0.3
300.02896	1.7
301.03491	0.8
333.20560	0.6
412.43304	0.3
463.09058	1.8
463.24756	24.9
464.25015	3.8
464.30386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2351
Annotation	Chagreslactone
Peak:m/z	Relative Intensity
53.56031	0.5
55.01760	0.9
57.03326	2.0
59.01265	12.1
59.98433	0.6
61.98726	1.1
69.03340	5.7
71.01263	5.0
71.04911	14.7
71.28401	0.6
71.28740	1.0
72.05241	0.5
73.02840	0.8
75.32681	0.5
78.95798	4.0
79.56916	0.7
81.03347	0.5
83.04926	3.0
85.02843	11.3
87.00767	2.3
87.04403	0.8
93.06994	0.8
96.96877	1.4
97.02858	0.9
97.06493	0.9
99.00771	1.4
99.04420	29.7
100.04733	1.0
101.02359	1.2
101.05962	0.6
108.02013	0.7
109.02841	0.6
109.06484	0.9
111.00788	2.9
113.02361	9.4
115.03924	46.5
116.04256	1.2
121.06506	3.1
123.08070	1.4
123.09348	0.5
127.03914	0.6
131.03395	0.7
131.04971	1.0
133.04991	1.2
133.10127	0.5
137.09650	0.7
145.02852	0.7
149.09650	2.0
152.99519	2.2
153.01895	0.7
153.09105	0.6
158.03700	3.1
159.04472	2.2
160.05220	0.7
161.02422	1.2
161.06030	1.0
174.03189	4.4
189.05540	18.0
190.05774	0.7
191.05577	1.2
201.05547	1.4
202.06242	0.9
203.07155	1.0
216.04272	0.7
217.00201	0.7
231.06645	81.1
232.06987	6.2
243.03011	0.7
255.02940	1.3
271.02579	3.5
272.03030	0.8
289.21817	0.9
300.02823	5.8
301.03525	2.5
303.19720	21.0
304.20084	2.5
305.21213	2.8
313.18607	0.5
319.19180	4.1
320.19501	0.5
321.20734	1.3
333.20700	2.2
347.18777	0.9
349.20337	0.6
357.24484	1.0
401.23148	0.9
403.12082	1.0
419.24469	34.2
420.24655	5.2
461.45444	0.5
463.09906	3.6
463.23462	100.0
463.73148	0.7
464.09418	0.8
464.23730	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	463.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
57.03328	1.3
58.00484	0.9
58.22501	0.5
59.01267	60.3
60.01591	1.4
61.98708	1.5
69.47387	1.3
69.47802	4.1
71.01274	21.5
72.02808	0.5
72.99202	3.4
73.02542	0.4
73.02849	4.4
74.02344	0.6
75.00767	100.0
76.01109	1.0
78.95814	0.6
83.01278	1.6
85.02840	7.6
87.00788	2.4
89.02345	20.7
89.14159	0.5
93.03349	1.7
93.94078	0.6
95.01308	1.1
96.17162	0.5
96.95895	2.7
97.06419	0.6
98.20615	1.0
98.55125	0.5
99.00787	4.3
101.01700	1.0
101.02347	12.4
111.00813	0.8
113.02353	7.8
119.03434	6.1
121.02865	0.9
123.08079	1.4
125.02357	1.1
127.69328	0.6
131.03421	2.4
135.04462	9.0
143.03464	1.3
149.04480	4.7
159.03001	0.7
161.04521	4.0
165.09184	3.7
173.04594	1.0
175.03911	0.8
179.03458	0.8
179.05608	4.1
191.05602	4.4
205.12361	6.9
209.11877	6.2
223.13443	0.8
241.14542	0.7
249.06268	1.1
253.09367	0.6
267.07324	2.4
324.53134	0.6
331.17776	1.9
373.14249	3.6
383.09851	0.8
385.18872	1.6
403.15317	0.9
403.19821	5.7
419.19617	1.2
463.17636	4.9
463.22223	7.8
464.17633	0.9
464.22934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09003	0.6
59.01265	100.0
60.01607	0.7
69.67268	3.9
73.38437	0.5
74.45322	0.5
77.87371	0.5
78.95780	2.9
87.00773	30.5
98.20534	0.8
110.98470	2.0
113.09650	0.7
123.08161	0.6
133.05040	0.6
167.01147	1.3
171.10202	3.1
183.10233	0.7
185.02219	2.1
195.13892	5.0
235.75443	0.6
271.02383	0.6
277.21817	6.9
278.22110	0.7
295.22839	35.1
296.23230	3.9
315.19556	1.1
333.20752	2.9
341.01459	0.6
360.38626	0.5
366.78238	0.6
403.21365	10.2
404.21710	1.3
463.09256	1.0
463.24802	10.2
463.30991	0.9
464.25290	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03338	0.4
58.00473	0.4
59.01267	8.9
61.06569	0.1
61.98708	0.6
68.99718	0.2
69.03339	0.2
70.62104	0.3
70.62478	0.3
71.01275	6.3
72.01605	0.4
72.99194	0.4
73.02841	1.6
75.00763	0.5
78.09982	0.1
80.02563	1.1
81.03361	1.2
83.01283	0.7
83.04918	4.8
84.02059	1.2
85.02854	2.3
87.00771	1.0
89.02342	5.8
91.03915	0.2
93.03374	0.8
95.01315	0.4
95.04921	0.5
97.02840	0.3
97.06509	0.2
99.00789	1.4
101.02348	5.5
109.02837	0.2
109.06518	0.2
111.00820	0.2
111.04465	0.2
113.02358	2.8
119.03432	1.1
119.04946	0.2
124.01575	0.2
125.02369	0.3
125.06007	0.6
129.01886	0.3
131.03435	0.8
134.03702	0.3
135.08099	0.5
137.02396	0.3
143.03391	0.3
149.04506	1.8
161.02420	0.3
161.04524	1.8
163.04034	0.2
163.11246	3.7
164.11642	0.3
165.12799	2.2
173.04575	0.4
174.03258	0.2
179.03517	0.2
179.05550	0.5
181.12325	0.7
191.05579	2.8
191.10808	0.9
197.58870	0.2
209.11826	100.0
209.78235	0.2
210.12163	6.9
227.12901	17.9
228.13234	1.1
235.08241	0.5
243.06514	0.2
249.06183	0.4
253.09338	14.1
254.09746	0.8
271.02554	0.5
271.06198	0.4
289.07394	0.3
300.02783	0.8
301.03574	0.4
331.17624	1.3
357.19513	0.2
363.38553	0.2
445.20679	0.2
463.08350	0.3
463.21771	4.2
464.22415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
57.03333	0.9
58.00476	3.0
59.01266	68.5
60.01608	0.9
69.03352	1.0
69.71725	0.7
69.72137	1.9
71.01273	61.3
72.01613	1.0
72.99197	4.1
73.02837	17.9
75.00763	3.9
78.95802	1.0
81.03365	0.4
83.01289	2.1
83.04898	0.5
85.02844	7.7
87.00763	2.5
87.84377	0.3
89.02339	100.0
90.02664	1.8
93.03341	2.0
95.00701	0.3
95.01296	1.2
97.02823	1.8
99.00783	32.6
100.01137	1.2
101.02350	37.2
102.02717	1.0
109.02888	0.4
113.02354	9.6
114.02621	0.4
115.03953	0.8
119.03422	5.9
125.02375	4.6
131.03433	18.5
134.03603	0.4
135.04445	0.7
137.02380	0.9
139.64194	0.4
143.03439	2.2
149.04501	67.6
150.04839	1.8
161.04527	4.3
163.03995	0.5
173.04527	1.3
175.04053	0.5
179.05600	1.4
191.05586	20.7
192.05928	0.9
209.11783	0.7
220.29236	0.3
221.06639	3.1
227.12823	0.8
233.06638	0.8
251.07806	5.2
267.07037	0.4
281.08704	0.5
293.08865	1.0
311.10010	1.0
331.17700	1.4
403.19858	0.6
463.16272	0.7
463.21976	17.4
464.22519	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	463.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15520	0.5
55.01774	1.9
57.03333	1.6
58.00488	3.7
59.01266	82.5
60.01599	1.5
61.98716	0.7
69.03355	2.2
71.01271	76.6
71.61921	0.9
72.01621	1.1
72.99206	5.5
73.02839	20.3
73.26527	0.6
75.00768	3.7
75.28809	0.6
78.95795	0.6
81.03329	0.9
83.01286	4.3
83.04928	0.9
84.01596	0.5
85.02843	14.6
86.77035	0.5
87.00781	4.1
89.02341	100.0
90.02679	1.5
93.03354	2.5
95.01294	3.0
96.95922	0.7
96.96857	0.6
97.02851	2.8
99.00785	26.9
99.04417	0.6
100.01115	0.6
101.02353	51.4
102.02665	1.2
111.00803	0.9
113.02364	18.5
115.03938	2.2
119.03425	14.2
119.04924	0.6
125.02371	6.1
131.03444	18.4
135.04437	1.2
137.02403	1.4
138.05611	0.6
141.70726	0.5
143.03470	4.4
149.04510	63.6
150.04831	1.6
159.02980	0.8
161.04503	6.7
163.03998	0.9
164.03481	0.6
164.71130	0.5
173.04562	1.6
179.05585	6.0
191.05589	20.0
192.05923	1.3
209.11882	1.9
221.06650	3.1
227.12901	1.2
233.06630	2.3
251.07768	5.0
267.07312	2.0
271.02625	1.2
293.08820	3.1
300.02844	1.3
301.03510	1.0
311.09882	0.6
331.17737	5.0
463.08298	1.4
463.22021	61.2
464.22397	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	463.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.1
57.03339	1.9
58.00481	3.1
59.01266	76.1
60.01603	0.8
61.98725	0.8
69.03350	1.3
71.01273	70.6
71.57092	0.5
72.01597	1.3
72.99207	5.4
73.02838	20.4
75.00765	2.4
78.95805	0.5
81.03348	0.6
83.01285	3.1
85.02848	9.5
87.00775	3.4
89.02341	100.0
90.02693	1.8
93.03362	1.7
95.01271	1.9
96.07121	0.4
96.52474	0.4
96.95947	0.5
97.02857	1.8
97.69432	0.4
99.00783	32.1
99.04407	0.8
100.01110	0.6
101.02352	45.9
102.02692	1.2
107.01319	0.6
108.02047	0.5
109.02898	0.6
111.04443	0.7
113.02355	14.4
115.03926	1.3
117.03438	0.4
119.03426	11.5
119.04832	0.6
121.02836	0.6
125.02376	5.6
127.03947	0.8
131.03436	18.3
134.03687	0.5
135.04454	0.8
137.02368	1.1
143.03448	2.8
145.02910	0.8
149.04503	62.8
150.04816	1.8
151.00314	2.6
159.02943	0.7
161.02415	0.9
161.04491	7.4
163.03902	0.6
173.04529	1.0
175.03938	0.6
178.99849	1.3
179.05591	3.7
191.05592	22.6
192.05963	1.0
201.09247	0.4
209.11806	2.2
221.06639	3.0
227.12906	1.2
233.06648	0.9
241.14517	0.8
243.03050	2.4
251.07755	5.3
252.08153	0.5
255.03003	4.8
256.03210	0.5
267.07111	0.4
271.02539	11.5
271.05566	0.8
272.03021	1.0
275.07883	0.4
293.08765	1.6
300.02820	18.5
301.03500	10.1
302.03931	0.8
311.09918	0.8
319.13791	0.6
331.17694	5.0
395.79047	0.4
463.08890	11.6
463.21954	41.8
464.08932	2.3
464.22382	6.4
464.28278	0.6
473.64420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	1.9
59.01264	100.0
61.98732	2.0
63.95031	1.6
69.03315	1.6
71.01270	53.7
72.99194	2.3
73.02835	66.8
73.56276	1.6
75.00767	1.7
78.95797	6.4
83.01284	20.8
85.02838	9.9
87.00768	4.6
89.02337	15.2
95.01342	1.8
97.02864	2.0
97.87641	1.6
98.20640	3.0
99.00770	2.2
99.04426	2.5
101.02345	57.6
101.34039	1.5
109.02892	1.9
109.44456	1.7
113.02357	12.6
119.03403	4.1
131.03412	5.2
143.03441	2.5
149.04510	2.9
152.99516	5.9
155.03453	1.5
161.04437	9.6
191.05600	4.3
197.15465	3.1
213.14941	1.8
215.16548	3.1
220.23370	1.5
229.22684	1.9
241.83939	1.9
377.21872	7.4
396.70096	2.1
397.20956	1.7
419.22955	63.4
420.23419	8.3
431.50650	2.0
463.22592	24.4
463.72845	10.7
487.34641	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	463.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	1.9
59.01264	100.0
61.98732	2.0
63.95031	1.6
69.03315	1.6
71.01270	53.7
72.99194	2.3
73.02835	66.8
73.56276	1.6
75.00767	1.7
78.95797	6.4
83.01284	20.8
85.02838	9.9
87.00768	4.6
89.02337	15.2
95.01342	1.8
97.02864	2.0
97.87641	1.6
98.20640	3.0
99.00770	2.2
99.04426	2.5
101.02345	57.6
101.34039	1.5
109.02892	1.9
109.44456	1.7
113.02357	12.6
119.03403	4.1
131.03412	5.2
143.03441	2.5
149.04510	2.9
152.99516	5.9
155.03453	1.5
161.04437	9.6
191.05600	4.3
197.15465	3.1
213.14941	1.8
215.16548	3.1
220.23370	1.5
229.22684	1.9
241.83939	1.9
377.21872	7.4
396.70096	2.1
397.20956	1.7
419.22955	63.4
420.23419	8.3
431.50650	2.0
463.22592	24.4
463.72845	10.7
487.34641	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	463.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79703	0.2
55.01778	0.4
57.03323	0.7
58.00484	0.5
59.01265	9.8
61.98704	0.5
69.03326	0.3
71.01271	7.2
71.04883	0.3
71.60187	0.4
72.01583	0.2
72.99198	0.9
73.02841	2.3
75.00764	0.7
76.17626	0.2
78.95805	0.5
80.02564	1.0
81.03347	0.9
83.01277	1.3
83.04923	4.8
84.02055	1.3
85.02837	2.5
87.00777	1.3
89.02345	6.9
93.03338	1.1
95.01264	0.4
95.04919	0.7
96.95892	0.2
97.02870	0.6
99.00779	1.6
99.04417	0.4
101.02348	6.2
102.98511	0.3
113.02357	3.0
119.03436	1.4
125.02390	0.6
125.05976	0.4
131.03427	0.6
135.04410	0.2
135.08075	0.5
143.03436	0.4
149.04504	1.9
151.00330	0.2
153.01855	0.2
159.03091	0.2
161.04482	2.2
163.11235	3.7
163.12509	0.4
164.66368	0.2
165.12788	2.4
172.41626	0.2
173.04579	0.4
173.06009	0.3
174.03177	0.4
179.05527	0.8
181.12315	0.5
191.05594	5.0
191.10745	0.7
193.04985	0.3
199.13326	0.3
209.11827	100.0
210.12163	7.5
215.06982	0.3
217.08720	0.4
227.12901	17.3
228.13179	1.3
235.08296	0.4
243.06721	0.3
249.06213	0.3
253.09332	11.9
254.09779	0.7
267.07312	0.4
271.02710	0.4
271.06146	1.0
289.07501	0.4
300.02762	0.8
301.03687	0.4
331.17694	0.7
419.19232	0.2
463.08392	0.5
463.14764	0.4
463.21844	4.3
464.22308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02369	0.3
59.01265	14.3
61.98713	0.6
69.03336	0.8
71.01277	0.9
71.04874	0.4
71.77580	0.3
72.99187	0.8
75.00761	0.4
78.95794	51.7
80.57887	0.3
81.03344	0.5
83.01266	0.5
83.04909	0.7
85.02852	1.4
87.00763	4.3
90.60779	0.3
93.03363	0.7
96.95915	0.8
96.96862	6.1
97.02851	1.0
97.06490	0.4
99.00800	0.3
99.04422	10.8
107.01275	0.4
113.02376	0.9
115.04003	0.4
117.03344	0.4
121.06525	1.6
123.08090	0.4
133.02910	0.7
134.03723	0.4
135.04482	0.7
137.02493	0.4
141.01898	0.4
145.02931	0.5
149.09721	0.5
150.97963	1.8
151.00310	0.6
152.99525	100.0
153.99879	1.6
161.02431	1.3
171.00586	4.7
173.04527	0.4
174.73409	0.4
176.04015	0.5
179.03448	0.5
191.05605	1.4
209.11842	0.6
217.00360	1.1
243.02928	0.6
255.03133	1.5
259.20825	0.5
271.02481	3.2
295.22534	2.0
300.02768	5.2
300.05688	0.4
301.03525	2.5
301.18237	1.0
303.19803	0.8
319.19275	0.8
334.81607	0.4
347.18631	1.7
363.18237	0.6
388.33588	0.4
401.23486	1.2
403.14529	0.6
403.21439	1.1
419.24472	1.8
445.22757	1.3
463.09320	4.5
463.22842	20.0
464.09286	0.6
464.23816	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	463.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.8
61.23884	0.1
61.98716	0.2
65.77800	0.1
70.68172	0.2
70.68546	0.4
71.01265	0.2
78.95794	1.3
81.18603	0.1
81.44011	0.1
85.02868	0.1
87.00782	0.2
89.02257	0.1
91.87119	0.1
96.96857	0.3
99.04415	0.1
99.81435	0.1
101.02339	0.2
101.84985	0.1
102.04647	0.2
108.02107	0.2
113.02368	0.2
113.06027	0.1
115.03924	0.2
115.05535	0.1
121.02911	0.2
130.04173	0.3
131.04971	1.4
135.04501	0.1
145.02917	0.2
146.03679	0.4
148.01563	0.3
158.03691	4.3
159.04489	3.0
160.05220	0.7
161.06035	2.0
163.03932	0.2
173.02425	0.2
173.05998	0.2
174.03180	5.6
175.03648	0.4
175.38751	0.1
188.04782	0.3
189.05553	18.5
190.05888	1.3
199.98024	0.1
201.01790	0.2
201.05574	1.6
202.06267	0.8
203.07121	1.1
209.11874	0.1
216.04263	1.3
217.00310	0.4
217.04758	0.1
231.06650	100.0
232.06981	8.2
239.07173	0.1
301.15802	0.2
303.19818	0.2
403.11938	0.7
415.11810	0.6
419.24545	0.2
433.12924	0.3
434.12753	0.2
445.12912	0.2
463.14053	3.4
463.21960	0.8
464.14713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	5.7
61.98719	0.5
62.96284	0.6
65.68021	0.4
67.99735	0.4
69.32772	2.3
69.33192	1.9
71.01259	0.7
73.68153	0.4
78.95790	7.9
87.00766	1.0
96.24942	0.4
98.20574	0.9
99.04455	0.6
149.00046	31.5
150.00352	0.9
152.99486	0.5
174.99246	0.5
194.98853	100.0
195.99149	2.6
209.11975	0.6
217.00299	2.5
265.21884	2.9
266.22186	1.0
295.22763	1.0
300.02670	0.7
438.60101	0.4
463.11304	57.8
464.11526	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.8
57.03341	2.4
58.00465	0.7
58.75569	0.4
59.01266	34.0
60.01618	0.6
61.98721	7.3
67.01793	1.2
68.99710	2.7
69.03346	2.6
70.18668	0.6
71.01273	22.1
71.57626	0.5
72.01605	0.5
72.99197	5.3
73.02845	2.8
75.00768	18.6
81.03353	1.6
83.01284	2.4
83.04921	0.8
85.02847	19.8
87.00298	0.6
87.00782	7.1
89.02341	6.3
91.03894	1.2
93.03361	100.0
94.03699	3.3
95.01299	4.9
96.01595	0.4
97.02853	1.0
99.00786	11.0
99.04394	0.5
101.02352	1.2
103.00256	1.9
105.01865	2.3
109.02854	1.3
111.00785	1.6
112.01588	0.6
113.02365	24.2
114.02682	0.7
115.00283	1.8
115.03897	0.9
117.01844	3.1
117.03366	0.7
119.03452	0.6
119.04922	0.6
121.03005	0.5
128.80455	0.4
129.01851	1.4
131.03481	0.6
133.05095	0.5
137.02364	1.0
139.00339	1.0
145.02904	0.9
147.04399	0.5
153.95624	0.4
157.01387	0.8
159.02914	0.9
163.03946	0.7
167.05023	0.6
169.06535	14.5
170.06857	1.5
173.04517	0.8
175.02460	3.0
179.03427	0.6
179.05566	0.4
189.04066	0.9
191.05547	2.6
207.69199	0.4
211.17482	0.4
213.05579	48.8
214.05890	4.4
231.05144	6.4
249.06203	94.4
250.06500	5.3
255.03136	0.5
285.04120	0.5
300.02798	0.6
419.22760	1.1
445.11456	0.9
463.12595	47.3
463.23108	4.6
463.72855	1.9
464.12869	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	463.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87447	1.4
56.55966	1.6
57.03340	2.4
59.01265	43.7
61.98728	8.9
68.99709	2.6
69.03342	3.3
69.59540	14.7
71.01274	35.9
72.99193	14.3
73.02843	2.5
75.00764	20.3
78.95782	2.7
78.98869	1.7
81.03357	3.4
83.01284	2.2
85.02846	36.4
87.00776	20.0
89.02343	8.0
91.03881	2.1
93.03364	31.7
95.01302	9.7
96.95926	19.4
96.96877	4.9
97.02835	1.9
99.00803	11.1
101.02341	4.1
103.00217	4.0
105.03358	2.2
107.04897	2.0
108.02078	19.5
109.02879	12.5
111.00816	2.5
112.01571	2.4
113.02353	42.7
115.00285	2.3
117.01884	2.5
119.03396	2.1
119.04936	3.5
121.02867	14.0
123.00829	2.5
123.04440	19.2
125.02368	3.2
129.01874	3.8
133.02892	17.6
135.04395	3.2
137.02408	3.5
139.18515	1.6
141.01843	1.8
148.01691	1.7
149.02400	7.5
149.04474	2.1
151.03943	50.3
152.04419	2.1
156.03363	2.1
161.02448	2.5
163.03966	2.1
175.02516	2.6
177.01892	43.6
178.02464	4.1
179.03421	2.6
181.08641	6.5
191.05582	8.0
195.02948	14.0
207.05110	2.7
231.05084	3.0
243.96169	1.9
249.06207	37.5
253.07191	3.3
267.07263	100.0
268.07590	7.6
300.02832	1.9
306.13196	1.6
323.06140	3.8
367.10468	2.1
403.15604	4.8
413.11020	4.3
427.08459	2.0
428.09732	3.7
429.10431	5.2
445.09491	4.0
463.10812	7.8
464.11993	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	463.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.3
63.02279	1.1
65.00212	1.6
69.35026	0.6
69.35429	2.0
69.35744	0.3
71.01270	1.5
73.02826	0.5
83.01279	1.1
85.02866	0.3
89.02332	1.2
91.01787	0.5
93.03362	0.5
95.01291	0.3
98.20584	0.6
99.00761	0.6
101.02343	0.7
107.01297	4.4
108.02103	2.1
109.02851	2.2
113.02283	0.3
119.01324	0.8
120.62268	0.3
121.02880	2.6
124.01621	0.3
125.02399	0.5
131.03357	0.4
135.00818	1.5
139.03918	0.4
144.91551	0.3
148.01611	2.3
149.02364	0.9
149.04520	0.6
151.00310	13.0
152.00761	0.6
153.01794	0.4
159.04420	0.5
163.00307	3.8
164.01085	1.3
169.01390	0.9
171.04485	0.5
171.71320	0.3
178.99823	6.3
180.00127	0.4
183.04459	0.8
187.03973	0.8
190.99814	0.5
193.01396	0.4
198.03186	0.4
199.03993	1.1
201.01816	0.4
201.05486	0.5
203.03456	0.7
211.03943	1.6
212.04575	0.4
215.03468	1.1
216.04247	1.0
226.02786	3.1
227.03499	4.7
228.04042	0.6
229.05013	0.8
232.75453	0.3
239.03563	0.5
243.03017	16.9
244.03436	1.8
245.04478	1.5
254.02292	3.5
255.03027	35.2
256.03381	3.3
266.02304	0.4
271.02533	84.8
272.02945	9.0
273.04059	1.7
283.02481	1.5
299.02148	1.4
300.02805	100.0
301.03525	48.7
302.03952	3.6
343.04697	0.4
463.08926	67.5
464.09232	9.0
467.19431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04966	0.4
53.78014	0.3
59.01265	28.8
60.01587	0.4
61.98717	100.0
66.58518	0.4
71.01271	2.8
71.04927	0.5
73.02838	1.2
75.00755	0.6
85.02850	1.7
85.60114	0.4
87.00779	0.5
91.03899	0.5
99.00828	0.4
101.02351	1.5
107.01217	0.4
110.27055	0.5
111.00819	1.2
113.02357	1.7
115.03939	1.3
121.02856	0.8
133.02898	1.3
151.00322	0.9
152.99559	0.5
161.04564	0.8
177.01923	0.7
183.04599	0.6
187.22083	0.4
191.05548	0.6
211.13486	0.5
227.03482	7.3
231.02957	0.7
255.03014	11.9
255.05464	0.7
271.02618	1.3
283.02570	7.9
284.03357	8.1
285.04163	7.6
299.02203	0.6
300.02841	1.5
301.07202	5.6
303.19833	0.7
311.22205	0.5
313.16666	2.0
329.23392	2.1
355.17688	2.2
427.14954	0.4
462.21988	1.3
463.09094	1.1
463.22867	7.2
487.34988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.3
59.01264	26.9
61.98717	100.0
63.02293	0.3
67.81533	0.3
71.01276	2.4
71.38004	0.5
71.43748	0.3
72.04481	0.3
72.99237	0.3
73.02842	0.6
74.43073	0.3
75.35696	0.3
83.01308	0.4
85.02848	1.7
87.00777	0.4
89.02360	0.3
92.10448	0.3
95.01257	0.3
97.30762	0.3
99.00756	0.4
101.02370	1.2
111.00814	1.0
113.02398	0.9
114.93356	0.5
115.03955	1.4
121.02867	0.4
133.02859	1.6
151.00285	0.5
152.99512	0.5
161.04565	0.8
177.01920	0.6
183.04405	0.4
191.05611	0.7
204.52426	0.3
211.04111	0.4
227.03514	6.7
255.03055	8.0
256.03659	0.3
271.02637	1.2
283.02527	6.6
284.03317	6.3
285.04089	6.3
300.02734	1.5
301.03610	0.6
311.22562	0.4
313.16614	2.5
329.23422	0.9
347.18497	0.4
355.17688	2.0
376.19427	0.4
413.94916	0.3
418.23331	0.4
462.22565	0.8
463.09039	1.4
463.22931	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	463.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40387	0.2
59.01265	1.6
63.02283	0.5
65.00207	1.0
69.34942	0.5
69.35368	1.4
71.01262	0.7
73.02811	0.2
80.08614	0.2
83.01282	0.9
89.02340	0.8
91.01814	0.3
93.03365	0.5
99.00770	0.2
101.02343	0.8
107.01298	2.7
108.02097	1.7
109.02862	1.6
113.02367	0.3
119.01308	0.4
120.02111	0.2
121.02852	2.0
121.03658	0.2
122.23764	0.2
124.01560	0.3
125.02333	0.2
135.00795	1.1
139.03935	0.2
147.00717	0.2
148.01582	1.7
149.02290	0.2
149.04497	0.5
151.00310	11.4
152.00737	0.3
159.04416	0.2
161.02390	0.3
161.04488	0.2
163.00319	2.8
163.03900	0.2
164.01128	0.9
165.18555	0.2
167.04980	0.3
169.01430	0.4
174.03189	0.3
175.04041	0.3
177.58704	0.2
178.99825	5.4
180.00156	0.5
183.04431	0.5
187.03963	0.4
190.99818	0.5
192.00597	0.4
193.01474	0.3
198.03146	0.4
199.03947	1.0
200.04408	0.2
201.02011	0.3
201.05554	0.4
203.03532	0.3
211.03972	1.1
212.04257	0.2
213.01820	0.2
215.03519	0.6
216.04202	0.7
226.02728	2.3
227.03497	3.1
228.04105	0.4
229.04956	0.9
230.02078	0.2
239.03450	0.5
240.04115	0.2
243.03015	12.3
244.03372	1.2
245.04520	1.1
251.08112	0.2
254.02238	2.8
255.03027	25.3
256.03381	2.4
266.02209	0.2
271.02533	64.1
272.02982	6.6
273.04089	1.3
283.02429	1.1
284.89838	0.2
299.02127	1.4
300.02811	100.0
301.03506	45.3
302.03900	3.7
316.02356	0.3
343.04587	0.6
463.08917	75.1
464.09241	10.4
464.15945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01596	1.3
62.12001	0.2
71.01272	0.2
71.60028	0.2
71.60448	0.2
78.95786	1.3
89.02325	0.2
89.52219	0.2
91.03900	1.2
99.04412	0.2
125.00060	0.4
134.04686	0.2
152.99513	0.3
181.02698	0.2
199.03728	0.7
265.96085	0.2
279.23349	19.9
280.23703	2.7
286.03851	0.2
293.25055	0.5
327.29047	2.3
328.29639	0.2
401.27087	0.4
451.24353	0.2
461.26804	1.6
462.27322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	26.9
61.98717	100.0
62.35197	0.3
67.12171	0.3
69.03328	0.3
69.92443	1.4
71.01276	2.0
71.04906	0.3
72.01634	0.3
73.02845	0.9
74.02370	0.4
78.95803	0.9
85.02831	1.6
87.00797	0.4
89.02346	0.6
93.03378	0.6
99.00765	0.5
101.02345	1.9
101.06019	0.3
113.02350	1.4
115.03943	0.7
119.03390	0.3
121.02896	0.3
137.02397	0.7
138.02705	0.4
140.35980	0.3
151.00359	0.4
152.98431	0.3
152.99553	1.2
161.02373	0.3
161.04549	0.5
183.85580	0.4
191.05563	0.7
243.03188	0.3
255.03113	0.9
257.18127	0.3
270.01886	0.3
271.02390	1.6
279.23560	0.3
299.01993	0.6
300.02750	2.6
301.03650	1.1
313.16620	2.4
355.17639	0.7
407.49484	0.3
456.98257	0.3
462.21896	0.4
462.27792	0.5
463.08887	2.8
463.22763	1.2
463.32806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01209	3.0
69.28942	2.7
78.95794	7.0
96.11864	0.2
98.19746	0.5
99.04399	0.5
125.00019	2.9
139.06241	0.2
152.99492	0.9
165.80122	0.2
170.42499	0.4
171.00597	0.3
181.02679	1.4
194.92000	0.3
199.02150	0.3
199.03772	3.5
255.80635	0.3
257.38147	0.2
261.22308	0.4
279.23343	100.0
280.23685	10.7
293.24924	10.3
294.25253	0.9
294.64673	0.3
345.17645	0.3
402.67313	0.3
461.17392	0.4
461.27048	8.5
462.27011	1.5
470.96967	0.2
473.93893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95089	3.2
57.23604	3.3
59.01268	65.7
61.98722	7.0
63.35584	4.1
69.03346	7.2
71.58012	5.9
78.95787	6.7
79.22323	4.0
99.04420	17.3
103.91927	4.1
121.82649	3.5
135.04492	4.3
150.90796	3.9
152.99539	5.3
174.99249	7.9
178.98560	5.3
197.40067	4.2
217.00305	11.7
220.99596	13.8
258.17743	3.8
275.23880	8.2
279.23386	14.7
295.25610	3.7
301.21667	8.6
319.22855	8.0
320.92172	7.4
378.98456	12.5
401.27039	100.0
402.27570	21.9
461.16699	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	461.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63546	0.3
58.11988	0.3
59.01263	100.0
60.01602	6.1
61.01690	4.5
70.80770	0.7
70.81142	0.7
72.99142	0.3
78.95795	5.6
81.88280	0.3
84.21650	0.3
85.77866	0.3
88.45905	0.3
91.03897	0.5
97.06462	0.5
98.83630	0.3
99.04414	14.0
100.04752	4.9
101.04836	1.7
110.98450	0.4
124.99983	1.4
139.47693	0.3
151.57034	0.3
152.99512	3.7
155.56436	0.3
163.01633	0.3
181.02673	1.0
187.11226	0.4
199.03783	2.3
279.23346	57.0
280.23694	7.6
293.24905	9.6
294.25247	1.3
299.20407	0.5
300.20541	1.0
301.20938	2.0
317.21432	0.4
318.21729	1.2
319.21906	2.0
327.29141	1.0
336.22641	0.8
337.22964	1.5
357.27313	0.4
361.23148	0.4
399.25439	3.2
400.25873	5.4
401.26117	29.9
402.26465	1.8
461.28113	46.5
462.28268	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2558
Annotation	Neovibsanin D
Peak:m/z	Relative Intensity
53.15802	1.7
59.01259	16.0
61.98728	2.3
68.85195	1.8
69.03345	2.1
71.58590	2.9
78.95792	6.6
79.12770	1.6
79.66635	1.9
80.02542	9.0
83.04928	2.8
85.02855	2.7
94.75710	1.8
99.04420	82.0
109.38947	2.0
113.02333	1.9
117.03404	2.2
124.01587	100.0
125.01891	4.2
132.02135	4.3
133.02864	9.0
134.03665	27.7
135.04465	13.8
137.02412	5.1
147.42517	1.9
152.99524	8.1
160.01602	16.5
161.02380	15.9
175.03970	38.0
176.04294	3.2
178.02754	3.2
179.03464	6.4
193.04956	10.4
242.19344	1.7
265.21805	5.4
270.01913	2.6
271.02539	2.4
279.23431	4.9
285.20877	6.7
299.02234	3.8
303.19867	2.4
311.40720	1.9
335.22305	2.7
375.26929	2.0
401.27246	4.5
402.27963	1.8
417.26700	2.7
429.22900	63.7
430.23071	10.2
449.72708	2.0
461.07553	3.0
461.19223	3.8
461.25629	75.1
462.25894	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	461.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70066	0.3
51.26140	0.4
52.66536	0.3
55.52981	0.3
59.01268	100.0
60.01604	1.2
61.98717	0.5
65.36771	0.3
71.01279	0.5
71.04907	4.3
71.61984	0.6
78.95829	0.4
85.02845	3.7
87.00784	0.7
95.20956	0.5
99.04417	2.1
133.02864	0.4
293.21231	0.9
317.21606	0.4
364.08197	0.5
391.12198	0.6
401.10373	1.2
401.23062	3.0
401.28152	0.6
431.11398	0.5
461.12643	3.2
462.13257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.2
57.76287	1.0
59.01264	100.0
60.01593	1.4
71.01247	1.6
71.04909	75.2
72.05231	1.7
78.95798	7.3
80.02577	5.4
83.01250	1.5
83.04906	1.6
83.33147	0.9
85.02838	9.3
87.00768	12.6
90.54011	0.9
97.06518	1.9
99.04420	52.0
100.04768	2.3
109.06458	1.1
110.98448	5.9
111.04402	1.1
113.02376	3.5
113.09646	17.3
115.03925	11.1
121.06505	3.1
121.10208	1.2
123.08000	1.1
124.01581	50.8
125.01886	1.5
125.09660	1.7
135.04475	1.0
135.08046	1.1
139.11177	3.3
143.03398	1.4
149.09717	1.4
165.12802	1.4
167.01093	1.6
167.10722	3.9
171.10188	4.8
179.10637	1.0
185.02187	7.6
195.13847	1.8
196.90536	1.0
209.11765	7.0
229.23428	1.3
236.39278	1.0
247.20827	1.9
247.23410	1.1
247.36504	1.0
249.22287	1.7
263.20026	1.3
264.20496	2.2
275.20248	4.8
281.90906	1.0
287.96545	1.0
291.19733	7.7
292.20032	1.0
293.21292	99.2
294.21622	13.5
309.20804	4.1
317.21252	7.1
401.23386	11.9
402.23358	1.1
417.22815	1.5
429.22906	39.6
430.23370	6.0
461.07291	1.2
461.23035	18.1
462.23444	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04848	1.4
54.98771	1.3
59.01267	100.0
60.01594	1.6
61.54966	1.2
61.98736	1.7
66.76342	1.3
71.01283	2.4
71.04908	7.7
71.57662	1.8
74.93095	1.3
76.94998	1.5
78.95795	2.4
83.88274	1.4
85.02852	9.5
86.03170	1.8
87.00779	6.8
93.03351	1.9
98.08424	1.4
99.04420	19.8
101.02370	1.6
109.06406	1.5
110.98490	1.8
115.03969	1.9
125.02373	6.3
143.03461	7.0
145.02849	1.7
171.10286	2.1
173.04451	2.3
191.05594	5.5
197.06044	2.0
249.05946	2.2
249.56059	1.8
275.20261	2.8
281.15472	9.5
285.03943	2.0
293.21298	6.3
299.16931	1.8
377.62000	1.4
401.23303	4.5
461.22549	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	461.2555
Annotation	Neovibsanin D
Peak:m/z	Relative Intensity
50.41614	0.4
55.27018	0.5
59.01263	33.3
63.84705	0.4
68.25656	0.5
69.03355	0.7
69.46947	1.4
69.47366	2.8
72.99196	0.9
73.02852	0.5
78.95820	0.6
80.02569	7.8
81.03358	1.9
83.04925	1.3
85.02846	9.7
98.19838	1.0
99.04416	73.0
100.04768	2.1
111.56185	0.5
114.30606	0.5
115.03926	0.6
117.03430	0.9
119.04955	1.2
124.01582	100.0
125.01905	3.3
135.04474	0.7
145.02911	4.7
149.09650	0.7
264.78964	0.5
285.18668	2.6
303.19772	2.6
315.19705	1.0
329.17767	1.3
335.22253	2.4
385.23721	1.4
401.23044	0.8
417.26456	1.3
429.22891	58.2
430.23236	9.5
461.25391	20.6
462.25641	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	461.255
Annotation	Incisagenin
Peak:m/z	Relative Intensity
50.71872	0.3
55.01774	3.2
55.30455	0.2
57.03337	8.9
58.00473	0.6
58.38588	0.3
59.01267	12.7
60.01591	0.4
61.16815	0.3
62.45704	0.3
64.83697	0.3
65.03846	0.4
67.01772	0.8
68.06602	0.3
68.99702	1.5
69.03347	5.6
70.33553	0.9
71.01270	56.5
71.04895	0.4
72.01617	0.7
72.99201	3.6
73.02833	7.4
75.00768	0.3
81.03355	1.6
83.01274	7.8
83.04931	0.5
84.02054	1.7
85.02843	61.2
85.99984	0.4
86.03186	1.3
87.00773	5.8
89.02341	4.8
93.03386	0.6
95.01285	16.8
96.01630	0.5
97.02850	10.3
97.06499	0.9
98.03183	0.5
99.00782	5.8
99.04413	0.6
101.02347	7.2
107.04855	0.4
109.02859	3.1
109.06470	0.8
110.03677	0.8
111.00807	0.8
111.04426	1.1
112.00784	0.7
112.01575	16.6
113.02356	88.9
114.02699	2.7
115.03916	0.4
121.10130	0.5
122.03611	0.4
123.08057	0.3
124.01599	0.4
125.02370	3.7
126.02743	0.3
131.03334	0.3
135.04445	0.5
139.00304	1.1
142.02667	1.3
143.03423	2.8
149.06064	0.3
149.09647	1.3
151.11205	0.4
152.99591	0.4
161.04504	2.8
163.11211	2.8
165.12807	2.6
175.07527	0.4
187.02536	0.3
191.05609	0.6
227.03354	0.4
227.91425	0.3
247.17174	0.4
255.03038	0.5
271.20758	0.6
273.22293	7.4
274.22693	1.0
283.02475	0.7
285.04166	0.4
299.20230	9.8
300.20523	1.1
301.21976	0.3
317.21271	66.4
318.21622	8.4
329.21289	0.6
363.99515	0.4
369.24435	0.4
373.24039	2.0
387.21964	0.7
401.23337	0.4
413.23434	8.9
414.23553	1.3
425.23679	0.6
431.24417	3.5
432.24960	0.4
461.25565	100.0
462.25891	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	461.2404
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
55.01773	0.6
57.03332	0.3
58.00481	0.5
59.01267	100.0
60.01604	1.4
61.98743	0.4
69.03345	0.6
71.01270	16.7
72.01622	0.3
72.99200	0.6
73.02837	17.1
74.03160	0.3
75.00774	0.5
83.01280	4.8
85.02834	3.6
87.00787	1.1
89.02339	6.0
93.03392	0.3
95.01286	0.7
96.60387	0.3
97.02879	0.6
99.00780	0.7
99.04422	0.3
101.02347	13.6
102.02737	0.3
111.00790	0.5
113.02355	4.9
114.02649	0.3
119.03422	1.7
123.08016	0.4
125.02380	0.8
131.03461	0.8
135.04520	0.3
135.98798	0.3
137.02356	0.6
143.03477	0.7
147.97583	0.4
149.04463	0.4
151.00214	0.3
161.04507	1.2
191.05582	0.6
221.15562	0.5
221.26073	0.4
239.16521	3.7
241.01476	0.6
245.00928	0.4
270.01898	0.6
271.02557	2.0
287.64029	0.3
299.02042	4.9
335.52255	0.3
338.72983	0.3
359.20724	0.4
383.19330	0.3
401.21582	1.6
401.53842	0.3
402.22290	0.4
419.22849	3.3
420.23438	0.5
443.22867	4.3
444.23264	0.6
461.24054	90.2
462.08038	0.6
462.24426	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	461.2557
Annotation	Pierisformoside C
Peak:m/z	Relative Intensity
55.01770	3.6
57.03337	11.4
58.00474	0.5
58.03666	0.2
59.01264	11.3
60.01590	0.2
65.03841	0.4
67.01773	1.4
68.99708	2.0
69.03345	6.4
71.01270	69.1
71.04903	0.4
72.01624	1.0
72.02007	0.2
72.99203	4.2
73.02837	8.3
74.15568	0.2
75.00750	0.4
80.77785	0.3
81.03340	1.2
83.01278	10.1
83.04919	0.7
84.02071	2.0
85.02843	75.4
86.00011	0.4
86.03164	1.6
87.00777	7.3
89.02336	4.6
93.03348	0.2
95.01286	20.3
95.04881	0.3
96.01560	0.4
97.02853	11.6
97.06499	0.8
98.03162	0.2
99.00784	6.7
99.01438	0.4
99.04419	0.5
100.04730	0.2
101.02348	6.2
102.02728	0.3
107.04916	0.3
108.02102	0.3
109.02867	3.6
109.06494	0.9
110.03642	0.7
111.00784	0.7
111.04433	1.5
112.01578	24.3
113.02359	100.0
114.02685	2.7
115.03939	0.5
120.21931	0.2
121.02864	0.6
121.10140	0.4
121.46268	0.2
123.08087	0.4
123.69028	0.2
124.01586	0.6
125.02358	3.1
131.03479	0.6
133.02887	0.8
135.04453	0.5
137.09694	0.3
139.00317	1.2
142.02669	1.6
143.03429	3.1
145.10048	0.3
147.08182	0.2
149.09662	1.9
161.04529	2.6
163.11269	2.6
164.11566	0.2
165.12772	2.6
175.07645	0.3
177.01939	0.3
203.14369	0.3
203.18059	0.3
205.15996	0.4
247.17088	0.3
249.06004	0.2
271.20746	0.4
273.22311	8.4
274.22675	0.8
283.02594	0.4
295.20825	0.3
297.22278	0.3
299.20221	9.7
300.20599	1.1
301.21790	0.7
311.20303	0.4
315.19992	0.3
317.21277	63.7
318.21600	7.8
327.23462	0.3
329.21338	0.8
345.20755	0.4
355.22812	0.3
359.22339	0.3
364.08139	0.3
369.24472	0.8
373.23907	2.7
374.24451	0.3
381.24500	0.4
385.23740	0.3
395.22580	0.3
399.25793	0.4
401.23291	0.3
413.23431	11.5
414.23651	2.1
425.23404	0.4
431.24432	4.9
432.24713	0.7
461.25555	97.8
462.25897	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	461.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.8
57.03339	0.8
59.01266	100.0
60.01611	1.4
69.03342	0.8
71.01272	14.1
71.59424	0.3
72.99211	0.9
73.02836	10.8
74.03197	0.3
75.00782	0.9
82.61982	0.3
83.01282	3.1
84.75402	0.2
85.02843	6.4
85.99989	0.4
86.03233	0.2
87.00779	1.1
88.35056	0.2
89.02346	3.5
92.02306	0.2
93.03394	0.5
95.01303	1.0
97.02850	0.4
99.00789	1.6
101.02348	14.0
102.02667	0.3
111.00822	0.5
113.02353	6.7
114.02702	0.3
119.03416	1.2
121.02875	0.7
124.50050	0.2
125.02374	0.8
127.04031	0.2
129.01880	0.4
130.72900	0.2
131.03403	0.5
133.02954	0.3
135.04491	0.3
137.02368	0.7
143.03502	1.4
149.04501	1.0
149.09584	0.3
150.06831	1.9
151.03996	0.3
153.12802	0.3
155.03485	0.2
159.02998	0.5
161.02382	0.7
161.04472	2.4
167.10762	0.9
179.03427	0.3
191.05626	0.7
193.08705	0.4
211.13457	0.8
213.09160	0.5
219.64044	0.2
226.45676	0.3
229.71913	0.2
230.75032	0.3
239.16550	11.4
240.16898	0.9
241.01483	1.1
242.02136	0.5
245.01016	0.4
249.06194	1.0
257.08215	0.4
267.07285	2.5
270.01837	1.0
271.02570	2.5
282.87704	0.2
285.09549	0.2
298.01416	0.3
299.02014	4.2
300.02679	0.3
341.19827	0.4
343.87592	0.3
357.22913	0.4
359.20822	2.4
383.20819	0.4
401.21661	3.0
402.22214	0.3
419.22754	3.5
420.23334	0.7
443.22974	5.2
444.23184	0.8
461.07571	2.4
461.24103	93.0
462.07816	0.5
462.24472	14.9
466.15973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78889	0.3
57.03336	3.8
59.01263	30.1
60.76455	0.4
61.98713	0.7
69.03336	1.2
71.01282	0.5
71.04905	2.7
75.45280	0.3
78.95794	7.2
83.01282	0.9
83.04903	0.4
85.02841	1.0
87.00758	0.5
88.89740	0.4
97.06540	0.6
99.04426	4.0
109.06527	0.8
110.98437	5.8
113.02377	0.4
113.09630	15.7
114.09973	0.8
115.03927	0.4
121.10131	1.0
124.01569	1.4
131.99716	0.4
133.02962	0.4
137.09662	0.5
139.11223	1.6
149.09583	0.5
152.99512	1.4
161.02370	0.4
167.01147	1.7
167.10760	2.3
171.10150	2.2
173.04558	0.4
177.12816	0.5
179.10794	2.4
183.13824	0.6
185.02167	6.1
191.98668	0.4
195.13910	2.7
209.11832	0.6
238.16586	0.4
249.22249	2.0
264.20599	0.4
270.01746	0.4
271.02289	0.5
275.20193	4.0
276.20642	0.6
279.23352	0.7
291.19656	0.8
293.21289	100.0
294.21628	10.8
299.01959	0.5
309.20770	0.5
317.21170	0.4
354.69205	0.4
401.27237	0.7
429.22974	1.4
430.22903	0.6
461.07224	0.9
461.23187	17.4
462.23618	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	461.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.7
59.01265	21.3
60.01607	0.5
61.98709	1.6
67.48112	0.3
69.03342	0.7
69.53086	0.3
70.13861	1.4
71.01261	1.8
71.04906	1.0
72.99186	0.4
73.02822	0.5
78.95791	10.7
81.91244	0.3
85.02851	1.2
87.00780	0.6
99.04408	3.4
99.81848	0.3
101.02364	1.1
110.98440	8.7
111.00771	1.4
113.02368	0.6
115.03966	0.4
117.03379	1.0
119.04900	0.3
121.06448	0.4
121.10151	1.7
125.02367	0.7
135.04465	0.4
139.11234	0.4
143.03439	0.7
145.02885	2.9
152.99490	1.8
155.10614	0.8
159.02925	0.5
161.02365	0.8
167.01099	4.0
167.10693	0.4
171.10211	4.6
179.14406	1.1
183.10225	5.0
183.13846	0.9
184.10562	0.5
185.02168	7.8
191.05544	0.5
195.13876	8.7
196.14496	0.9
200.54988	0.3
205.12344	0.9
205.15929	0.4
211.13396	1.0
223.13397	7.5
224.13739	1.0
228.13583	0.6
231.21178	0.8
235.17131	0.6
256.13284	1.0
265.21741	0.5
275.20218	12.8
276.20529	1.6
279.23404	0.7
291.19720	0.6
292.53262	0.3
293.21292	100.0
294.21591	11.8
299.01938	0.4
392.16150	0.5
401.27423	0.7
419.30453	0.9
461.23148	33.0
462.23474	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	461.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	3.7
59.01266	10.7
61.98724	0.3
68.61569	0.2
68.67517	0.2
69.03356	1.9
69.98265	0.4
69.98661	0.9
71.01292	0.6
72.13711	0.2
74.85723	0.2
78.95792	6.7
83.01279	2.9
83.04934	0.7
85.02842	1.6
85.06486	0.5
93.03430	0.3
95.01306	0.3
97.02877	0.5
97.06514	0.5
99.04427	2.7
109.06533	1.0
110.98444	6.3
113.02382	1.1
113.09634	15.1
114.09997	0.5
115.03951	0.4
121.10138	0.8
123.08073	0.3
124.01614	0.6
125.09686	0.5
127.04018	0.3
127.07558	0.2
135.11760	0.3
139.11255	1.5
141.09192	0.5
149.09645	0.6
151.31702	0.2
152.99539	0.5
157.65767	0.2
161.02359	0.4
165.12794	0.3
167.01074	2.0
167.10777	2.1
171.10226	3.2
177.12819	0.5
179.10738	1.6
183.13911	0.7
185.02184	5.7
195.13867	2.2
209.11858	0.5
219.10269	0.3
227.12811	0.3
236.57108	0.3
249.22258	1.8
275.20218	4.5
276.20465	0.5
291.19699	0.7
293.21289	100.0
294.21634	10.5
368.87381	0.3
401.22897	0.9
429.22943	2.7
430.23184	0.6
461.23151	16.4
462.23364	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	461.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70687	0.4
55.01776	0.8
57.03325	1.4
59.01265	22.3
67.01767	0.9
68.99702	1.5
69.03331	0.8
70.61739	1.4
71.00904	0.6
71.01273	12.2
72.33969	0.4
72.99205	3.2
73.02823	2.7
75.00764	13.8
78.95828	0.4
81.03345	0.7
83.01288	1.3
83.04911	1.0
85.02840	12.4
87.00774	7.3
89.02343	2.8
93.03348	2.1
95.01288	3.7
97.06489	0.6
98.19750	0.5
99.00787	8.0
99.04433	0.6
101.02347	1.8
103.00275	1.4
107.04953	0.4
108.33033	0.4
109.02880	0.5
111.04350	0.6
113.02360	16.7
115.00301	1.1
117.01847	1.3
129.01811	1.1
133.02878	2.1
135.04448	1.5
135.11739	1.3
137.02365	1.2
138.05569	0.7
147.04443	0.5
157.01404	0.8
161.02388	5.6
162.02695	0.6
167.14355	0.8
173.04518	0.8
175.02415	1.8
179.03430	1.4
189.04094	0.6
191.05542	2.9
192.05898	0.6
211.13385	18.7
212.13733	1.5
225.11417	0.4
226.02574	0.5
231.05069	1.9
241.01358	1.4
242.02100	1.2
243.02951	0.6
245.00929	0.6
249.06192	20.5
250.06454	1.1
255.03001	1.0
267.07309	0.9
270.01788	2.1
271.02600	3.2
298.01373	0.9
299.02008	6.0
300.02597	0.7
312.02740	0.5
323.07867	0.9
376.32916	0.4
443.19241	2.2
461.07584	6.6
461.20361	100.0
462.08029	0.7
462.14441	1.4
462.20633	12.1
473.13950	0.5
486.52283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75607	0.2
59.01265	100.0
60.01596	1.0
61.01699	0.3
69.03345	0.3
69.47270	1.1
69.47696	0.5
71.01265	1.5
71.75009	0.2
73.02833	1.8
73.03115	0.1
82.99255	0.2
83.01274	0.4
85.02832	0.3
85.21102	0.2
87.00772	1.3
89.02356	0.6
89.60020	0.2
93.03365	0.3
95.01337	0.2
101.02348	1.9
113.02353	0.9
119.03417	0.4
135.04492	0.3
161.02434	0.5
161.04506	0.5
167.10735	0.2
179.03506	0.3
207.60446	0.2
270.01822	0.2
271.02609	0.4
295.37741	0.2
299.02228	0.6
401.21799	0.3
419.23148	0.3
461.07477	0.6
461.24155	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	461.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03337	2.5
58.00476	0.8
59.01269	16.4
59.98402	0.8
60.01593	0.3
67.01791	1.3
68.99709	1.4
69.03352	1.2
69.58095	2.0
71.01274	14.7
72.01604	0.3
72.98831	0.4
72.99203	5.3
73.02834	1.5
75.00766	17.9
81.03367	0.7
83.01273	0.8
83.04908	0.3
85.02847	19.4
85.06490	0.4
86.03187	0.5
87.00773	6.9
89.02339	4.5
91.03889	0.4
93.03355	3.1
95.01292	4.5
97.02855	0.8
98.03638	0.4
99.00786	10.3
99.04430	3.1
101.02344	1.2
103.00290	1.7
109.02866	0.7
109.06509	0.3
111.00775	0.9
111.04443	0.7
113.02361	20.5
114.02695	0.8
115.00288	2.1
115.03921	0.3
117.01856	3.0
119.03360	0.3
129.01866	1.7
131.03430	0.4
133.02919	0.3
135.04431	0.5
135.11714	0.4
136.10429	0.2
137.01379	0.4
137.02385	5.0
139.00287	0.4
145.02885	0.5
149.04422	0.3
157.01305	0.4
161.02348	1.7
167.14319	0.3
173.04524	0.7
175.02449	2.3
189.04060	0.6
191.05563	1.7
192.05832	0.3
197.02765	1.0
198.03531	0.3
205.07204	0.4
207.10220	0.3
211.13394	51.4
212.13718	3.6
225.11324	0.4
230.02571	0.3
231.05075	2.2
249.06195	21.7
250.06310	1.2
267.07275	4.8
281.12360	0.5
299.13269	0.3
323.07806	1.0
401.18155	0.4
415.23743	0.3
440.86874	0.3
443.19427	2.4
444.19455	0.3
461.20370	100.0
462.20755	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	461.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75217	1.0
55.01762	1.7
56.56752	0.9
58.00483	1.6
59.01269	63.1
60.01591	0.9
61.98717	1.8
69.03351	1.3
69.33135	10.5
71.01274	29.4
72.99195	1.3
73.02841	23.2
76.77771	0.9
81.06043	0.9
83.01289	5.4
83.97616	0.9
85.02852	8.1
87.00784	2.6
89.02341	11.3
89.28226	0.8
92.88540	0.9
95.01292	2.1
99.00784	1.9
101.02347	20.4
107.50837	1.0
113.02378	9.1
119.03439	2.7
124.51092	1.1
142.28954	1.0
161.04472	1.8
183.13837	1.2
191.05661	0.9
195.13884	16.3
196.14255	1.2
213.14934	6.7
244.17235	0.9
357.19281	8.5
358.19638	1.5
375.20325	25.7
376.20425	3.3
417.21414	100.0
418.21722	13.1
461.24048	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	461.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	3.0
59.00997	1.9
59.01269	29.3
61.61162	1.1
63.72161	1.0
65.86109	1.1
68.99709	1.9
69.03338	3.1
69.34660	11.4
71.01273	13.9
72.99199	4.2
73.02831	4.0
75.00769	17.0
83.01281	1.5
85.02852	20.8
86.03206	1.1
87.00769	7.5
89.02348	4.3
92.43664	1.0
93.03350	1.5
95.01291	5.5
97.02882	2.0
97.06480	1.2
99.00784	9.8
101.02361	1.8
103.00265	1.9
109.06560	1.1
111.00782	1.4
111.04472	1.7
113.02357	22.0
113.03078	1.9
115.00321	2.0
117.01829	2.8
135.11740	1.3
175.02415	2.9
191.05675	2.8
197.02884	1.1
204.94127	1.1
207.10353	3.7
211.13394	21.4
225.11203	1.4
231.05118	2.2
249.06221	22.2
250.06477	1.4
256.03888	1.6
267.07315	4.8
281.12375	1.8
284.03299	7.2
299.05685	8.4
443.19244	1.5
461.20422	100.0
462.20651	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	461.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.0
60.97921	0.2
65.00173	0.2
65.85632	0.2
70.09097	0.3
70.09480	0.3
71.01258	1.3
73.02798	0.2
78.95778	0.9
85.02802	0.5
87.00726	0.4
89.02322	1.0
90.43256	0.2
93.03312	0.6
96.95869	0.5
96.96848	0.8
99.00745	0.2
101.02321	0.6
104.02586	0.2
105.03343	0.3
107.01240	0.2
107.04890	0.3
108.02015	0.5
109.02828	0.4
113.02303	0.3
113.07785	0.2
117.03322	0.5
118.05010	0.2
119.04908	0.7
125.02274	0.2
127.35714	0.2
132.02086	0.7
133.02879	15.2
134.03241	0.6
135.04446	5.4
136.01563	1.8
136.04747	0.3
137.02370	100.0
138.02704	4.0
149.06090	0.2
151.00308	0.5
153.11537	0.2
161.02385	45.4
162.02745	2.6
163.00356	0.2
177.05571	0.4
178.99921	0.2
179.03456	2.9
180.03769	0.3
191.05608	1.5
191.53120	0.2
203.03590	0.3
221.04642	0.6
233.09624	0.4
236.59865	0.2
241.01588	0.3
245.01151	0.2
271.02667	0.4
281.06866	0.3
285.04224	0.4
299.07773	29.4
300.08151	1.9
323.07791	5.4
323.11502	0.3
324.08334	0.5
364.06454	0.2
461.15506	21.5
462.15955	3.2
485.61899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.6
57.03321	1.4
57.30915	1.0
58.00490	0.9
59.00991	1.7
59.01267	20.7
59.07838	0.7
61.98751	0.9
69.65324	4.7
69.65743	1.8
71.01271	41.5
72.15666	1.1
72.99202	2.0
73.02836	18.9
74.03191	1.0
75.00750	3.6
75.76268	1.0
77.35897	1.0
81.03339	1.2
83.01273	5.6
85.02843	18.4
87.00764	2.4
89.02338	9.5
93.03366	0.9
95.01293	2.7
96.95908	1.0
97.02900	1.2
99.00790	10.1
101.02348	33.4
111.00783	1.2
113.02365	16.8
115.03910	1.7
125.02351	2.8
129.01871	1.5
131.03450	2.3
143.03421	3.3
159.02922	3.7
161.04504	18.7
191.05571	2.8
193.01462	1.3
201.61812	0.9
233.06622	1.7
267.07138	2.0
269.10370	23.5
270.10629	2.6
293.08994	1.1
294.02716	1.0
401.14609	100.0
402.14981	13.3
488.44308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2917
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
55.08742	0.6
58.88396	0.6
59.97460	0.5
62.35705	0.5
70.09943	2.9
93.39096	0.5
96.95629	0.6
107.04940	29.0
108.05267	1.1
108.71103	0.5
110.14254	0.6
120.79227	0.6
163.11247	100.0
164.11563	6.6
283.17117	28.0
284.17398	3.6
295.17108	15.4
295.20242	1.3
296.17294	0.7
428.31805	0.7
459.29184	77.6
460.29507	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	461.1103
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
55.74862	0.2
57.03347	0.9
59.01266	9.3
65.03841	0.3
69.03344	0.3
71.01269	2.7
71.56860	0.3
72.99184	0.2
73.02838	0.7
77.06373	0.2
78.95798	0.7
83.01263	0.3
85.02854	1.0
87.00780	2.4
89.02345	0.7
93.03358	50.3
94.03699	1.6
96.95936	0.5
96.96877	0.6
97.02837	0.2
99.00813	0.3
99.04432	0.7
99.72372	0.2
101.02352	1.4
107.01277	0.2
109.02901	0.5
109.06521	0.3
113.02351	0.8
117.03393	0.2
123.01923	0.2
125.02364	0.7
132.02087	0.5
133.02884	8.4
134.03229	0.4
135.04456	5.9
136.04904	0.2
137.02379	100.0
138.02718	3.7
147.04495	0.2
148.05269	0.2
149.05972	0.2
149.28322	0.2
151.00313	0.8
160.01624	0.3
161.02399	24.8
162.02742	1.4
163.00357	0.2
163.11273	0.3
173.04539	0.2
175.03987	0.4
177.01945	0.3
177.05522	1.0
178.02794	0.2
178.99873	0.6
179.03471	4.2
180.03891	0.4
187.03981	0.2
191.05550	1.2
203.03503	0.3
207.10292	1.1
207.46463	0.2
221.04570	1.4
225.11353	0.4
233.09604	0.5
249.09047	0.2
253.09442	0.2
255.03079	0.4
263.05774	0.3
270.01871	0.2
280.05942	0.2
298.05240	0.2
299.02292	0.4
299.07858	3.1
300.08270	0.2
323.07779	21.7
324.08099	1.9
417.12033	0.7
461.12003	3.8
461.20410	0.4
462.12082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2766
Annotation	12beta,20-Dihydroxy-16beta-Acetoxy-17-scalaren-19,20-olide
Peak:m/z	Relative Intensity
55.01759	0.4
58.60923	0.3
59.01268	100.0
60.01591	1.2
69.03366	0.6
69.49982	2.6
94.47799	0.3
97.06503	1.3
98.19807	0.6
99.04424	39.7
100.04767	1.1
111.04416	0.3
123.04437	1.0
123.08105	0.5
125.09641	0.7
167.10768	0.8
187.11226	0.8
241.89034	0.3
291.23196	0.3
299.20233	6.3
300.20627	0.9
317.21304	6.2
318.21576	0.6
335.22412	3.6
336.22934	0.6
355.26553	1.1
359.22293	0.6
366.51526	0.3
377.23828	0.4
399.25500	68.3
400.25818	10.2
400.31155	0.5
459.27643	74.0
460.27975	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	459.2762
Annotation	12beta,20-Dihydroxy-16beta-Acetoxy-17-scalaren-19,20-olide
Peak:m/z	Relative Intensity
57.03322	0.3
59.01264	100.0
59.95638	0.3
60.01595	0.8
62.27860	0.3
69.03346	0.8
70.17921	0.8
70.18313	0.7
70.77576	0.3
72.50381	0.3
78.12982	0.3
78.95790	0.7
91.56664	0.3
97.06493	1.1
99.04417	27.8
100.04770	0.6
105.06982	0.3
123.04400	0.8
125.09625	0.5
136.71892	0.3
152.99541	1.2
167.10771	0.6
187.11259	1.3
249.51492	0.4
268.31393	0.3
277.21750	0.5
287.20215	0.6
291.23502	0.6
299.20212	5.2
300.20728	0.8
317.21286	8.8
318.21671	0.9
331.18744	0.4
335.22345	3.9
336.22513	0.6
337.90109	0.4
355.26331	1.2
359.22507	0.5
377.23099	0.5
399.25479	64.6
400.25790	9.0
417.26593	0.4
443.26712	0.4
459.27618	76.5
460.27921	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	459.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55414	0.2
55.01775	0.3
57.03334	0.5
59.01266	100.0
60.01608	1.0
61.98725	0.3
71.01270	5.2
73.02841	1.7
83.01285	0.6
85.02847	3.3
86.10468	0.2
87.00793	0.4
89.02325	1.3
95.01315	0.5
98.65852	0.2
99.00794	0.8
101.02341	4.4
102.98521	0.4
111.00797	0.8
111.04468	0.2
113.02357	2.4
119.03416	0.4
125.02396	0.3
133.02930	0.3
135.04430	0.3
143.03557	0.3
145.02985	0.3
150.51175	0.2
159.02985	0.7
161.04514	4.0
162.04871	0.4
173.04420	0.3
183.20808	0.2
191.05592	0.6
195.19669	0.2
225.12021	0.2
238.72659	0.2
370.00259	0.3
399.19330	0.5
399.24051	5.4
399.28827	0.3
400.24557	0.7
417.25159	1.0
443.23303	0.3
450.51144	0.2
459.26547	0.8
460.26489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
57.03328	0.4
58.00502	0.1
59.01264	100.0
60.01601	1.2
69.03313	0.2
69.35957	1.1
69.36350	0.3
71.01269	7.9
72.99218	0.3
73.02836	2.1
83.01279	1.0
85.02843	3.8
87.00777	0.4
87.04412	0.9
89.02338	2.0
90.93378	0.1
95.01286	1.2
97.02865	0.4
99.00777	1.1
101.02348	3.2
110.82320	0.1
113.02351	6.7
114.02741	0.2
114.10078	0.1
119.03450	0.6
125.02399	0.3
131.03445	0.2
143.03453	0.3
149.20520	0.1
153.49951	0.1
159.02968	0.5
161.02460	0.3
161.04498	3.8
165.09200	0.5
167.43875	0.1
179.05556	0.1
191.05524	0.2
194.15202	0.1
202.23149	0.1
255.19812	0.5
399.23941	8.0
400.24298	1.0
417.25070	3.1
418.25519	0.4
459.05029	0.1
459.26312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2612
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01771	0.4
57.03338	0.5
58.00496	0.3
58.53763	0.1
59.01265	100.0
60.01600	1.3
69.03329	0.2
71.01270	8.5
72.99216	0.4
73.02834	2.2
73.35141	0.1
75.00747	0.1
83.01273	1.5
84.59547	0.1
85.02837	2.9
86.00017	0.1
87.00788	0.6
87.04411	0.6
89.02335	3.5
93.03374	0.3
95.01287	0.7
97.02856	0.4
99.00774	0.7
99.04485	0.2
101.02347	6.4
101.05992	1.5
111.00800	0.3
112.01581	0.2
113.02357	3.8
116.56707	0.1
119.03419	1.5
125.02376	0.5
131.03423	0.1
143.03462	0.7
147.04468	0.1
149.04494	0.2
152.56563	0.1
159.02927	0.3
161.04500	3.4
179.05571	0.9
191.05626	0.6
238.84454	0.1
255.19638	0.9
297.20770	1.0
298.21198	0.1
334.01584	0.1
335.05652	0.2
351.21954	0.2
363.22144	0.2
381.22913	0.2
399.23935	5.8
400.24567	1.0
417.25037	7.9
418.25327	1.1
459.25983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97924	0.2
54.20762	0.3
55.01788	0.6
57.03338	0.7
58.00505	0.4
59.01266	100.0
60.01604	1.4
61.01695	0.4
61.19992	0.3
69.03352	0.6
71.01272	14.7
72.01617	0.3
72.99205	0.9
73.02838	6.1
74.03147	0.3
75.00771	0.2
83.01284	2.6
85.02848	4.8
87.00780	1.0
87.04431	0.4
89.02342	5.4
92.15198	0.3
93.03346	0.6
95.01270	1.5
97.02894	0.3
98.20560	0.7
99.00783	1.6
101.02348	10.0
102.98506	0.7
109.02885	0.2
111.00780	0.6
113.02355	8.3
119.03432	2.3
125.02369	0.9
131.03467	0.4
133.02890	0.3
135.04466	0.5
142.19682	0.3
143.03465	0.9
147.00790	0.3
147.04478	0.3
149.04457	0.3
159.02940	0.4
161.02400	0.7
161.04497	4.8
163.03882	0.3
163.06059	0.3
169.12263	0.3
173.04486	0.3
179.03485	0.5
179.05617	0.8
190.02647	0.4
191.05617	1.1
217.85742	0.2
239.16721	0.3
255.19746	0.5
263.50754	0.2
301.84528	0.2
313.16757	0.6
325.20468	0.3
329.19781	0.7
348.66498	0.2
353.06900	0.3
381.23096	0.4
399.23956	10.9
400.24310	1.4
417.25043	7.2
418.25397	1.0
459.22290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2612
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
52.56033	0.3
53.01434	0.3
55.01768	0.9
57.03345	1.6
58.00488	0.8
59.01266	44.7
60.01588	0.4
61.53533	0.3
61.98721	0.8
68.99725	0.3
69.03345	1.2
69.31472	2.3
69.31893	0.7
71.01270	17.6
71.04929	0.6
72.99190	1.9
73.02839	4.4
81.81971	0.3
83.01292	2.5
83.04918	0.6
85.02843	6.4
85.06496	1.1
85.99982	0.6
87.00773	5.6
89.02332	3.5
89.46191	0.3
95.01314	1.2
95.97846	0.3
97.02853	1.2
97.06487	0.5
98.19836	0.6
99.00775	1.7
99.04427	1.0
101.02350	8.3
111.00815	1.1
112.01579	0.5
113.02359	4.5
119.03433	1.2
124.01599	1.4
125.02353	1.8
129.01816	0.5
141.01932	0.5
143.03435	0.7
151.05251	0.3
161.02422	0.8
161.04535	0.5
166.86266	0.3
167.14354	0.3
179.03564	0.3
179.05615	0.4
191.05550	0.4
209.19066	1.0
223.20811	0.3
237.18651	2.0
255.19702	25.7
256.19977	2.2
267.19687	0.8
269.21152	0.3
297.20718	1.0
399.23993	15.8
400.24390	2.3
417.25021	41.9
418.25357	5.4
459.26102	100.0
460.26468	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	459.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15861	0.2
58.87644	0.2
59.01262	2.6
61.98705	0.3
71.01284	0.4
71.57034	0.3
78.95795	7.5
96.53545	0.2
100.78822	0.2
116.01406	0.2
125.00014	3.3
145.02950	0.3
152.99504	1.7
153.57928	0.2
155.02873	0.2
162.14555	0.2
181.02730	1.5
199.03738	4.3
233.22734	0.3
244.50108	0.2
259.20779	0.3
268.28015	0.2
275.20193	0.6
277.21783	100.0
278.22134	11.6
279.23343	0.3
291.23318	0.6
314.98511	0.2
385.70892	0.2
396.91025	0.2
399.94046	0.2
423.47360	0.2
459.25290	8.2
460.25739	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15861	0.2
58.87644	0.2
59.01262	2.6
61.98705	0.3
71.01284	0.4
71.57034	0.3
78.95795	7.5
96.53545	0.2
100.78822	0.2
116.01406	0.2
125.00014	3.3
145.02950	0.3
152.99504	1.7
153.57928	0.2
155.02873	0.2
162.14555	0.2
181.02730	1.5
199.03738	4.3
233.22734	0.3
244.50108	0.2
259.20779	0.3
268.28015	0.2
275.20193	0.6
277.21783	100.0
278.22134	11.6
279.23343	0.3
291.23318	0.6
314.98511	0.2
385.70892	0.2
396.91025	0.2
399.94046	0.2
423.47360	0.2
459.25290	8.2
460.25739	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	100.0
58.00480	0.7
58.03669	1.7
59.01263	95.9
60.01597	1.1
69.03310	0.6
69.41539	4.5
71.01270	20.1
73.02836	4.7
75.00766	0.7
81.03352	1.4
83.01267	2.4
85.02828	3.7
87.00782	1.2
87.11211	0.6
89.02339	18.2
91.09548	0.7
94.49606	0.6
95.01281	1.0
99.04418	73.1
100.04749	1.9
101.02348	30.1
108.04723	0.7
113.02357	9.3
119.02718	0.6
119.03410	6.9
121.02860	8.8
123.04359	0.9
125.02370	21.1
126.02676	0.8
131.03487	0.8
143.03352	2.4
149.04391	1.0
161.04373	2.7
171.57285	0.6
179.05606	4.1
202.06978	0.5
225.05470	1.0
313.06848	1.9
315.18222	7.4
357.18576	1.4
384.10535	0.7
401.08820	7.4
402.08487	1.2
436.93015	0.7
459.21344	2.3
460.20874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00106	0.6
55.01768	0.7
57.03339	100.0
58.00471	1.2
58.03685	1.8
59.01266	92.0
60.01604	1.7
61.98721	1.9
63.05052	0.5
69.03362	0.8
71.01272	27.2
72.99196	1.6
73.02841	15.5
79.05413	0.8
81.03358	2.3
83.01281	5.8
85.02827	4.4
87.00784	1.2
89.02339	19.2
92.82937	0.6
95.01294	1.9
97.02848	0.9
97.06528	0.9
99.00828	0.7
99.04421	81.3
100.04771	3.0
101.02351	40.9
102.02681	0.8
113.02364	10.5
113.03081	1.2
113.05978	1.1
119.03426	7.4
123.04441	6.0
125.02372	26.7
126.02709	1.4
131.03413	1.8
141.05513	1.5
143.03438	3.9
149.04512	2.8
155.03421	0.6
161.04524	7.2
179.05589	4.2
191.05579	2.2
213.14847	0.7
221.06699	0.9
315.18024	1.5
357.19052	0.8
399.23669	2.4
411.20535	0.6
417.24808	0.8
459.21884	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	459.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.7
57.03337	41.4
57.30833	0.5
58.03669	0.8
59.01266	100.0
60.01614	0.8
61.98714	1.5
71.01271	12.1
71.59615	0.7
72.99213	1.0
73.02840	4.0
75.00763	0.6
78.95811	0.5
81.03349	0.7
83.01267	2.2
85.02845	5.0
87.00779	1.0
88.36652	0.4
89.02334	3.1
95.01299	0.7
99.00804	1.1
99.04420	31.5
100.04735	1.1
101.02350	15.9
111.00842	0.9
113.02361	5.9
119.03446	1.6
121.02898	1.4
125.02370	9.2
128.24052	0.4
135.04480	0.7
143.03473	1.5
143.97849	0.5
145.02916	1.3
149.09666	0.6
159.02983	1.2
161.02455	1.1
161.04509	5.6
179.05664	0.4
191.05673	0.8
195.13916	0.8
223.13432	5.8
226.48181	0.5
253.09308	0.5
315.18158	7.5
316.18701	0.9
357.19199	0.9
399.24017	3.2
401.09061	0.5
459.22897	6.6
459.28983	1.0
460.23120	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.5
55.61439	0.6
57.03340	5.3
57.97712	0.7
58.00465	1.4
59.01269	55.0
60.01609	0.9
61.01678	1.0
67.01775	1.6
68.99687	2.1
69.03339	1.8
71.01274	33.6
71.17146	0.9
71.17488	1.5
72.99197	7.7
73.02834	4.5
75.00765	22.8
78.95785	1.2
81.03346	2.0
83.01285	2.3
83.04942	1.5
85.02847	35.4
87.00774	13.1
89.02347	10.9
91.03899	1.3
93.03355	2.7
95.01287	7.1
95.04927	2.6
96.96856	1.1
97.41225	0.6
99.00777	12.4
99.04431	3.2
101.02369	5.2
103.00279	3.0
108.02079	2.1
111.00822	1.7
111.04420	1.2
113.02362	41.8
114.02695	1.5
115.00298	2.0
116.38955	0.7
117.01864	3.3
119.04932	3.1
121.02890	2.0
129.01869	3.1
134.03622	1.0
135.04454	0.9
135.11685	0.8
145.02888	1.1
147.11748	15.0
148.12036	1.1
152.01144	4.0
153.01813	1.0
157.01335	0.9
163.03879	2.3
165.12837	2.6
168.55028	0.9
173.04506	2.0
175.02507	3.4
179.05501	0.8
191.05560	5.8
191.10760	1.5
205.07170	2.6
207.05080	2.5
209.11865	10.1
210.12038	1.2
221.76404	0.7
231.05122	2.3
237.15030	0.8
243.05049	0.7
249.06200	27.9
250.06522	1.6
267.07285	74.1
268.07663	4.9
353.06500	0.9
430.26569	0.8
441.17865	1.6
459.18790	100.0
460.19159	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01266	100.0
60.01607	1.0
66.60116	0.3
69.44605	1.6
69.45020	0.4
71.01271	3.4
72.99206	0.4
73.02836	1.2
74.65993	0.2
78.95837	0.3
83.01292	0.5
85.02841	1.6
87.00787	0.8
89.02350	2.1
93.03384	0.5
95.01302	0.2
98.20522	0.5
99.00778	0.4
101.02335	2.5
111.00791	0.3
113.02358	1.6
119.03442	0.8
119.04910	0.3
135.04416	0.4
137.02342	0.3
143.03429	0.4
145.02922	0.7
149.04567	0.3
161.02417	0.7
161.04468	1.4
163.04034	0.3
179.03517	0.5
179.05519	0.5
187.16724	0.2
191.05582	2.3
195.10318	1.0
203.05571	0.4
228.76547	0.2
229.01410	0.7
246.16064	0.3
263.49622	0.3
271.02563	0.3
276.47549	0.3
299.02014	0.5
339.05225	0.4
339.14468	1.4
354.96527	0.2
357.15674	3.0
358.16299	0.3
399.16656	5.5
400.17273	0.5
459.18921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	0.7
57.03338	1.1
58.00474	0.8
59.01265	100.0
60.01605	1.5
61.01695	0.6
61.98727	1.0
62.67935	0.5
69.03356	1.2
69.11660	0.4
69.33367	5.3
71.01270	25.6
72.01615	0.8
72.99215	1.6
73.02834	25.7
74.03179	0.4
75.00771	0.7
81.03362	0.5
83.01279	7.3
85.02843	6.5
87.00794	2.8
89.02335	6.9
93.03332	2.4
95.01312	0.8
96.95924	0.9
97.02827	0.7
99.00764	1.0
99.04459	0.7
101.02345	25.8
102.02686	0.9
113.02366	7.7
115.02097	0.7
116.43565	0.5
119.03410	2.7
119.04922	0.6
120.21998	0.5
125.02345	1.0
131.03387	1.7
133.02882	1.0
135.04491	0.8
137.02338	0.6
143.03445	1.7
145.02867	1.3
147.04488	0.7
148.99097	0.5
149.04504	1.5
155.03435	1.4
161.02350	1.4
161.04474	4.7
163.03848	0.6
173.04510	2.1
175.14890	6.7
179.03514	1.1
179.05508	0.6
191.05589	10.3
192.05865	0.7
193.12242	2.3
193.16057	0.7
211.61201	0.5
221.06873	0.7
237.05457	0.7
237.14969	5.7
243.05069	0.9
250.06517	0.6
264.04443	0.7
269.07825	0.8
293.04645	0.7
294.05212	1.0
309.07697	0.6
353.06784	1.0
373.18613	2.6
399.23953	2.2
415.19806	13.9
416.20169	1.6
417.21210	1.6
459.22522	17.2
460.22787	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65421	0.3
58.91376	0.3
59.01267	100.0
60.01601	1.2
60.99187	0.7
71.01271	5.1
71.56454	0.6
73.02843	2.1
78.95801	0.4
83.01295	0.7
85.02850	2.1
87.00762	1.4
88.98704	3.6
89.02322	1.8
93.03372	1.1
96.95937	0.9
97.02885	0.3
98.00228	0.3
99.00790	0.5
99.04466	0.5
101.02342	2.7
109.02859	0.3
113.02357	2.4
119.03468	0.9
119.04939	0.4
125.02386	0.4
133.02916	0.5
135.04485	0.8
137.02390	0.4
137.09656	0.6
143.03505	0.4
145.02937	1.0
148.94341	0.3
153.01773	0.3
161.02463	1.6
161.04504	5.0
163.04051	0.4
173.04501	0.5
177.09210	0.5
179.05666	0.3
191.05620	3.4
195.10344	0.7
201.04024	0.5
229.01440	0.7
230.01866	0.4
261.09964	0.5
264.04443	0.3
271.69992	0.3
298.10922	0.5
337.37659	0.3
339.05292	0.7
339.14709	1.4
357.15714	1.9
399.16678	5.4
399.21234	0.5
400.17252	0.7
459.19073	1.0
459.24811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.4
57.03339	3.8
59.01265	87.5
60.01601	1.0
61.80368	0.6
67.01778	1.2
68.99719	2.5
69.03354	2.0
69.53207	2.4
69.53629	1.8
71.01273	21.9
71.01672	1.1
72.99200	4.4
73.02835	4.1
75.00764	18.7
78.95813	0.8
79.91840	0.5
81.03354	1.5
83.01283	2.4
83.04938	1.0
85.02841	25.1
86.03164	0.7
87.00777	8.4
89.02338	6.1
93.03373	1.9
94.19129	0.5
95.01283	5.7
96.95909	1.2
97.02861	1.0
97.06470	0.7
99.00788	10.9
99.04433	3.3
101.02351	5.2
102.98512	0.5
102.99644	0.8
103.00249	2.8
107.96104	0.6
109.02901	0.6
111.00824	1.4
111.04443	0.6
113.02359	29.0
114.02712	0.8
115.00283	3.0
117.01847	3.5
128.01764	0.6
129.01857	2.0
131.03461	1.0
133.02856	0.7
135.04445	1.1
137.02351	1.1
139.83661	0.6
143.10709	0.7
147.11743	1.4
149.06003	1.3
152.99506	0.7
157.01337	0.9
161.02361	2.6
165.12845	1.1
173.04524	1.2
175.02458	3.4
179.03412	0.7
184.63916	0.5
189.04021	1.1
191.05559	4.3
191.10718	0.7
205.06960	1.2
209.11830	21.2
210.12167	1.1
229.01387	0.8
231.05139	4.2
237.14963	1.0
249.06184	48.2
250.06525	2.2
255.10301	1.3
267.07263	24.6
268.07544	1.2
417.21039	0.9
441.17438	1.3
455.86368	0.5
459.18692	100.0
460.18967	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91126	0.3
59.01265	2.3
62.31740	0.3
71.01275	1.8
71.58805	0.6
73.02837	39.7
74.03163	0.9
74.79276	0.3
75.00734	0.4
78.95831	0.4
85.02831	0.8
87.00767	0.5
88.31905	0.3
89.02345	2.5
99.00780	5.5
101.02372	1.0
113.02347	1.4
116.92764	3.9
117.01856	100.0
118.02200	2.5
118.05037	1.8
119.03434	0.4
121.02835	0.5
150.19643	0.4
151.06010	0.4
165.05525	0.7
179.05595	1.0
191.05594	0.8
211.13464	0.3
220.04465	0.4
226.22394	0.4
233.84898	0.4
241.96953	0.4
267.10202	0.8
340.10193	0.4
341.11008	2.9
389.17624	0.5
459.13348	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12280	0.5
55.01775	1.2
57.03333	1.1
58.00473	1.3
59.01265	100.0
60.01604	1.7
61.10665	0.6
69.03348	1.4
71.01270	29.7
72.01624	0.9
72.99203	1.0
73.02835	38.6
74.03177	0.9
75.00767	0.7
81.03349	0.7
83.01274	12.5
85.02845	5.5
87.00773	1.7
88.83846	0.5
89.02328	9.4
93.03334	0.8
95.01299	1.6
98.19758	1.0
99.00793	1.6
101.02345	34.8
102.02692	0.9
109.02871	0.7
111.04420	0.5
113.02362	10.4
119.03422	3.2
125.02386	1.6
131.03433	2.3
133.02878	1.0
135.04503	0.6
137.02400	1.0
143.03438	1.9
149.04509	3.1
155.03487	0.9
161.02457	1.0
161.04492	7.4
162.04808	0.6
173.04539	0.7
175.14922	0.6
191.05646	1.5
193.12343	4.7
203.05705	0.5
219.13744	0.5
221.06622	0.8
237.15027	1.3
249.06244	0.9
267.07224	0.6
343.21542	0.5
355.17804	1.9
373.18723	5.7
398.98468	0.6
399.24005	2.5
400.24310	0.6
415.19827	25.5
416.20282	3.4
417.25513	0.8
459.22974	3.6
460.23456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03346	1.1
58.00483	1.0
59.01266	100.0
59.48080	0.6
60.01602	1.2
69.03340	0.9
69.12954	0.6
70.65553	0.6
71.01270	30.2
71.58477	0.7
72.01628	0.7
72.99212	2.0
73.02838	32.3
83.01282	9.6
85.02854	4.9
87.00782	1.9
89.02337	10.0
91.39846	0.6
93.03358	1.3
95.01301	1.7
97.02914	0.9
99.00797	1.9
101.02347	33.0
102.02677	1.3
113.02361	11.5
113.03069	1.0
119.03423	3.2
125.02367	1.3
129.01888	0.7
131.03465	2.8
135.04483	1.1
137.02373	0.8
143.03430	3.1
145.02928	1.0
149.04529	2.5
155.03389	0.7
161.02428	1.3
161.04486	7.5
173.04575	0.9
175.14952	2.5
179.03409	1.1
184.03421	0.6
191.05583	8.1
193.12369	5.0
199.84659	0.7
206.95882	0.7
211.13478	0.8
215.67583	0.6
219.14009	1.2
232.13570	0.7
237.15007	5.1
243.05269	0.8
260.96729	0.6
292.21555	0.6
296.44809	0.6
353.06845	1.7
373.18802	6.5
399.24081	2.9
415.19827	25.0
416.20361	2.8
417.25354	1.6
459.22382	10.6
460.22638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.2
57.03337	3.8
58.00475	0.3
59.01265	100.0
60.01591	1.0
61.98708	0.2
62.52353	0.1
66.85194	0.1
71.01270	7.3
71.59846	0.2
72.99206	0.4
73.02843	1.7
75.00737	0.2
76.92961	0.1
80.35980	0.2
81.03311	0.2
82.96548	0.2
83.01271	0.8
85.02849	2.4
87.00786	0.6
89.02338	6.2
93.03387	0.2
95.01298	0.4
97.02872	0.2
99.00809	0.6
99.04418	3.2
101.02348	6.4
101.06004	0.5
102.02762	0.2
113.02361	3.5
117.03428	0.2
119.03423	3.6
125.02371	1.0
131.03458	0.4
133.02869	1.1
133.06471	0.3
135.04430	0.6
143.03430	1.1
145.02931	0.2
149.04552	0.5
159.02922	0.2
161.02425	2.7
161.04498	3.9
161.05869	0.3
162.02742	0.2
163.04004	0.4
179.03580	0.4
179.05630	2.4
180.05893	0.2
187.32336	0.2
191.05632	0.6
193.08621	0.8
195.73969	0.2
217.00502	0.2
217.15982	1.0
218.16278	0.1
235.17188	0.6
271.02655	0.4
287.16705	0.3
299.02148	0.5
300.02762	0.5
313.16626	0.7
397.22388	5.4
398.22827	0.7
415.23669	0.5
441.21432	0.2
457.15057	1.1
457.24588	2.1
458.15714	0.2
458.25549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.3
57.03319	0.1
59.01266	100.0
60.01601	1.2
61.98710	1.9
67.01836	0.2
69.27743	1.4
69.28149	0.2
71.01267	5.7
72.99181	0.4
73.02843	2.8
75.00790	0.3
78.95798	0.3
83.01267	1.0
85.02851	1.8
87.00791	0.5
89.02334	2.8
93.03368	0.6
95.01300	0.2
97.02929	0.2
99.00809	0.3
101.02351	4.2
102.98528	0.2
108.02068	0.2
109.02883	0.3
111.04467	0.2
113.02368	2.7
119.03459	1.0
119.04963	1.6
121.02863	0.2
123.04430	0.2
125.02391	0.2
129.01883	0.2
131.03412	0.4
135.04486	0.5
137.02466	0.2
143.03427	0.4
147.02974	0.2
149.04553	0.5
149.09731	0.2
151.04010	0.3
161.04500	1.2
163.03935	0.9
173.04552	0.6
179.03574	0.2
179.05565	0.4
181.05063	0.2
191.05598	1.8
195.06589	2.2
196.06958	0.2
211.07654	1.4
212.07986	0.2
333.04517	0.2
397.22650	0.7
415.23669	0.8
457.13028	0.8
457.24515	0.5
458.14246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.3
57.03345	2.4
58.00483	0.5
59.01266	100.0
60.01605	1.1
67.01806	0.2
68.99686	0.3
69.03355	1.0
69.50105	0.2
71.01273	16.9
71.60489	0.4
72.01615	0.5
72.99200	1.5
73.02839	11.7
74.15618	0.2
75.00769	3.1
75.87791	0.2
76.67988	0.2
81.03370	0.2
83.01282	3.3
83.04929	1.3
85.02845	6.9
85.03364	0.4
86.03228	0.3
87.00774	2.0
89.02341	6.8
93.03368	1.5
95.01299	1.7
97.02868	0.3
97.06521	0.6
99.00782	1.8
99.04440	0.6
101.02349	12.8
102.02731	0.4
103.00263	0.3
109.02900	0.3
111.00805	0.2
111.04453	0.6
113.02361	12.9
114.02707	0.4
115.00307	0.4
117.01871	0.3
119.03426	1.8
119.04919	1.9
121.02939	0.3
125.02345	0.4
129.01865	0.6
131.03416	1.4
134.03664	0.3
135.04436	1.2
137.09647	0.2
141.01775	0.3
143.03421	1.1
145.02994	0.3
145.27032	0.2
149.04494	1.4
155.03477	0.6
157.01378	0.3
161.02464	0.3
161.04495	3.5
161.09756	0.3
163.03935	2.2
163.11249	2.2
173.04570	0.9
175.02466	0.3
179.03416	0.3
179.05598	0.5
189.09108	0.2
191.05594	4.8
192.05965	0.3
193.08675	0.3
202.06352	0.3
207.10306	0.8
215.07234	0.3
221.06725	0.4
221.78484	0.2
231.05258	0.3
249.06178	4.3
249.08516	0.3
252.67763	0.2
253.18341	0.2
267.07272	10.7
268.07706	0.6
333.19315	0.3
397.22601	0.7
409.75803	0.2
413.69336	0.2
415.23544	1.0
449.14883	0.2
457.17340	7.5
457.23282	0.3
458.17670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75836	0.3
53.90273	0.3
62.78893	0.4
69.61610	2.3
70.61172	0.3
79.57752	0.4
99.92480	5.8
100.92635	0.7
100.93264	5.0
115.91988	100.0
116.91994	6.1
116.92780	6.0
132.92288	1.5
149.14531	0.4
158.41505	0.3
172.95442	4.3
172.96826	0.6
173.95486	0.4
283.26520	0.6
314.79910	0.4
383.19034	0.7
399.18530	0.4
409.20450	0.6
457.22641	4.1
458.23145	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.3
57.03345	2.4
58.00483	0.5
59.01266	100.0
60.01605	1.1
67.01806	0.2
68.99686	0.3
69.03355	1.0
69.50105	0.2
71.01273	16.9
71.60489	0.4
72.01615	0.5
72.99200	1.5
73.02839	11.7
74.15618	0.2
75.00769	3.1
75.87791	0.2
76.67988	0.2
81.03370	0.2
83.01282	3.3
83.04929	1.3
85.02845	6.9
85.03364	0.4
86.03228	0.3
87.00774	2.0
89.02341	6.8
93.03368	1.5
95.01299	1.7
97.02868	0.3
97.06521	0.6
99.00782	1.8
99.04440	0.6
101.02349	12.8
102.02731	0.4
103.00263	0.3
109.02900	0.3
111.00805	0.2
111.04453	0.6
113.02361	12.9
114.02707	0.4
115.00307	0.4
117.01871	0.3
119.03426	1.8
119.04919	1.9
121.02939	0.3
125.02345	0.4
129.01865	0.6
131.03416	1.4
134.03664	0.3
135.04436	1.2
137.09647	0.2
141.01775	0.3
143.03421	1.1
145.02994	0.3
145.27032	0.2
149.04494	1.4
155.03477	0.6
157.01378	0.3
161.02464	0.3
161.04495	3.5
161.09756	0.3
163.03935	2.2
163.11249	2.2
173.04570	0.9
175.02466	0.3
179.03416	0.3
179.05598	0.5
189.09108	0.2
191.05594	4.8
192.05965	0.3
193.08675	0.3
202.06352	0.3
207.10306	0.8
215.07234	0.3
221.06725	0.4
221.78484	0.2
231.05258	0.3
249.06178	4.3
249.08516	0.3
252.67763	0.2
253.18341	0.2
267.07272	10.7
268.07706	0.6
333.19315	0.3
397.22601	0.7
409.75803	0.2
413.69336	0.2
415.23544	1.0
449.14883	0.2
457.17340	7.5
457.23282	0.3
458.17670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
57.03328	0.7
58.00478	1.0
59.01264	100.0
60.01601	1.5
65.30201	0.3
69.03350	0.7
71.01268	20.8
71.56066	0.3
72.99205	1.2
73.02834	15.2
75.00760	0.5
83.01279	4.0
85.02847	3.8
87.00783	1.3
89.02336	16.5
95.01315	1.7
96.95929	0.3
97.02878	0.3
99.00776	0.5
101.02347	17.9
113.02354	10.0
119.03406	6.3
125.02386	0.7
131.03418	2.0
143.03416	1.5
147.04297	0.3
149.04480	1.4
161.02417	0.5
161.04506	4.0
179.05554	1.6
191.05508	0.4
221.06572	0.3
397.22510	0.7
399.48303	0.4
415.23486	0.9
457.20697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13048	0.2
56.42777	0.2
57.03341	0.3
59.01265	100.0
60.01603	1.1
61.98714	0.3
65.13732	0.2
69.03368	0.2
69.84157	0.7
69.84578	0.6
71.01270	5.0
72.99203	0.7
73.02834	3.1
75.00780	0.2
83.01290	1.1
85.02848	1.9
87.00781	0.6
89.02331	1.6
93.03353	0.6
95.01301	0.5
97.02869	0.2
99.04406	0.3
101.02341	4.1
113.02357	3.4
116.87696	0.2
119.03447	0.7
119.04979	0.9
121.02877	0.3
125.02348	0.2
125.78143	0.2
132.82341	0.2
137.02382	0.4
143.03496	0.4
160.01776	0.3
161.02435	0.6
161.04497	1.4
163.03999	0.5
165.03999	0.3
173.04581	0.2
175.03958	0.4
179.05624	0.4
191.05653	0.9
192.05768	0.2
195.06627	0.2
253.18199	0.5
270.01770	0.2
294.23810	0.2
313.03763	0.3
337.81784	0.3
355.17996	0.9
397.22263	2.0
415.23410	1.7
457.15271	0.5
457.24149	0.4
458.31815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06696	0.2
51.16884	0.2
54.42475	0.2
55.01776	0.2
57.03340	0.6
58.56151	0.2
59.01266	100.0
60.01598	1.5
61.98723	0.2
63.89022	0.2
70.66796	0.2
71.01273	4.3
71.58263	0.2
72.99208	0.5
73.02836	1.8
75.00765	1.0
78.95825	0.2
81.03336	0.2
83.01288	0.7
83.04910	0.3
85.02850	2.9
86.74307	0.2
87.00760	0.9
89.02342	2.0
93.03365	0.4
95.01311	0.5
99.00814	0.7
101.02344	3.3
111.00842	0.2
113.02359	4.1
119.03432	0.8
119.04932	0.4
121.02887	1.0
125.02366	0.2
129.01920	0.2
131.03398	0.4
135.04514	0.2
143.03415	0.2
152.03523	0.6
152.32297	0.2
161.02438	0.2
161.04503	1.3
163.03961	0.4
163.11229	1.1
167.03490	0.2
168.10977	0.2
173.04521	0.4
191.05571	1.5
207.05331	0.2
235.13457	0.2
249.06236	0.7
267.07272	5.0
267.10010	0.4
268.07727	0.3
337.16907	0.5
355.17520	0.9
392.69986	0.2
397.18945	0.7
397.23166	0.4
415.23657	0.9
445.35889	0.2
457.17068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.0
57.03338	85.5
58.00486	0.7
58.03662	1.8
59.01265	100.0
60.01619	0.8
68.75508	0.5
71.01271	16.0
71.58308	0.5
71.58765	0.8
72.99203	0.8
73.02837	6.9
81.03341	0.7
83.01279	3.5
85.02846	8.2
87.00780	1.3
87.51379	0.5
88.08310	0.5
89.02339	5.2
93.03365	1.1
95.01271	1.2
99.00762	2.7
99.04420	73.4
100.04762	2.4
101.02351	31.5
106.14629	0.6
106.19957	0.5
113.02361	7.8
119.03416	3.2
125.02374	21.6
126.02718	1.0
131.03270	0.6
135.04466	0.7
143.03438	2.7
145.02859	0.9
148.91554	0.6
151.11290	0.6
159.02844	0.8
161.02306	1.4
161.04500	7.2
162.00746	0.5
173.04536	0.7
179.03526	0.8
179.05400	0.7
188.08118	0.6
191.05569	2.5
253.18153	8.3
254.18439	0.9
272.06711	0.6
313.16650	16.5
314.16873	2.0
355.17514	1.9
357.35068	0.6
395.20670	1.5
397.22345	3.0
415.23160	1.4
457.19687	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	457.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.0
57.03338	85.5
58.00486	0.7
58.03662	1.8
59.01265	100.0
60.01619	0.8
68.75508	0.5
71.01271	16.0
71.58308	0.5
71.58765	0.8
72.99203	0.8
73.02837	6.9
81.03341	0.7
83.01279	3.5
85.02846	8.2
87.00780	1.3
87.51379	0.5
88.08310	0.5
89.02339	5.2
93.03365	1.1
95.01271	1.2
99.00762	2.7
99.04420	73.4
100.04762	2.4
101.02351	31.5
106.14629	0.6
106.19957	0.5
113.02361	7.8
119.03416	3.2
125.02374	21.6
126.02718	1.0
131.03270	0.6
135.04466	0.7
143.03438	2.7
145.02859	0.9
148.91554	0.6
151.11290	0.6
159.02844	0.8
161.02306	1.4
161.04500	7.2
162.00746	0.5
173.04536	0.7
179.03526	0.8
179.05400	0.7
188.08118	0.6
191.05569	2.5
253.18153	8.3
254.18439	0.9
272.06711	0.6
313.16650	16.5
314.16873	2.0
355.17514	1.9
357.35068	0.6
395.20670	1.5
397.22345	3.0
415.23160	1.4
457.19687	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	457.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96057	0.2
57.03342	0.7
59.01265	100.0
60.01604	1.1
69.47602	0.8
69.48038	0.9
71.01273	3.6
72.99208	0.5
73.02840	1.5
75.00777	0.7
83.01307	0.4
83.04944	0.2
85.02838	2.2
87.00792	0.6
89.02334	1.4
89.86439	0.2
93.03391	0.2
95.01306	0.5
99.00839	0.4
101.02350	2.0
108.71429	0.2
113.02373	2.5
118.13893	0.2
119.03460	0.4
119.04945	0.3
125.02439	0.2
135.04453	0.2
161.02341	0.3
161.04541	1.1
163.03989	0.6
163.11191	1.2
191.05566	1.7
249.06270	0.4
267.07239	4.5
267.09891	0.3
312.03152	0.2
331.77032	0.2
337.16809	0.6
355.17892	1.1
397.18304	1.4
415.23605	0.5
457.16644	1.4
458.17496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.7
57.03344	6.4
57.76068	0.5
58.00478	1.2
59.01267	100.0
60.01617	1.2
61.98735	0.6
65.43450	0.5
67.01784	1.0
68.99710	0.6
69.03355	1.1
69.31544	5.1
71.01271	30.4
72.99194	4.9
73.02845	7.5
75.00766	13.4
81.03368	0.6
83.01282	2.6
83.04919	3.4
85.02845	27.9
86.03198	0.6
87.00777	10.1
89.02343	15.2
93.03379	3.8
95.01301	4.8
96.96886	0.5
97.02867	0.6
97.06521	0.8
99.00788	9.1
99.04421	1.0
99.72337	0.5
100.94285	0.5
101.02346	8.7
101.02995	0.5
103.00281	2.8
109.02916	0.7
111.04443	0.8
112.01583	1.1
113.02361	40.2
114.02715	0.8
115.00306	1.4
117.01866	3.2
119.03419	2.1
119.04940	3.2
121.02859	0.8
121.06507	0.5
123.12757	0.6
125.02390	1.6
129.01871	2.1
131.03439	1.6
133.02904	0.8
134.03665	1.3
135.04448	2.1
136.01605	0.6
137.02272	0.6
143.03514	1.0
145.02896	0.7
149.04482	1.1
152.03479	3.2
157.01387	1.0
161.02417	0.9
161.04532	3.0
161.09697	1.3
163.03957	3.1
163.07639	0.7
163.11229	8.2
163.12502	0.7
164.11502	0.6
171.31721	0.5
173.04549	3.3
175.02469	2.7
178.02588	0.8
179.03441	1.0
185.21680	0.6
189.09203	1.7
191.05598	11.1
192.05916	1.2
193.03514	0.8
193.05080	0.6
205.07143	1.2
207.05141	1.5
207.10312	2.3
231.05028	1.3
249.06172	9.9
260.97754	0.6
267.07275	98.3
268.07645	6.1
309.12634	0.9
349.29218	0.7
372.00412	0.6
397.22565	1.6
406.12524	0.5
415.23587	1.8
421.21552	0.7
457.17267	34.8
458.17395	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	457.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.3
57.03343	0.4
58.00467	0.3
59.01268	100.0
59.78609	0.2
60.01600	1.2
67.01793	0.2
69.03371	0.3
71.01271	7.7
71.59788	0.2
71.60111	0.2
72.01633	0.2
72.99209	0.3
73.02840	4.5
75.00783	0.5
78.09209	0.2
83.01274	1.4
85.02839	2.6
87.00787	0.8
88.69955	0.2
89.02338	2.6
93.03388	1.5
94.54609	0.2
95.01332	0.5
96.99229	0.2
97.06509	0.6
99.00787	0.7
101.02356	5.3
111.00842	0.3
111.04426	0.3
113.02354	4.6
114.02744	0.3
118.98025	0.3
119.03451	1.0
119.04943	3.5
119.05732	0.3
120.05327	0.2
125.02377	0.3
127.05083	0.2
129.01920	0.4
131.03476	0.5
133.02881	0.3
134.03656	0.4
135.04478	0.6
135.98265	0.2
137.02377	0.4
141.95732	0.2
143.03453	0.4
145.02930	0.7
147.04442	0.3
149.04497	0.3
155.03441	0.3
159.03049	0.3
159.04477	0.2
161.02469	0.3
161.04498	1.8
163.03951	5.4
165.04065	0.6
173.04517	1.0
173.05910	0.2
178.02586	0.3
178.06332	0.7
187.07715	0.3
191.05595	4.9
192.06006	0.5
193.05032	0.4
193.08688	1.4
196.64246	0.2
204.07866	0.2
213.95802	0.2
215.07195	0.4
216.87006	0.2
251.07054	0.5
252.08041	0.4
253.08830	0.7
253.18181	0.4
267.07471	0.4
269.07947	0.3
279.06747	0.4
311.07751	1.5
312.08401	0.2
337.09488	0.2
397.22430	4.5
398.22797	0.6
415.23462	1.9
416.23932	0.3
439.14209	0.4
457.14853	2.3
457.29507	0.5
458.15399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.9
57.03341	0.9
58.00480	0.9
59.01268	100.0
60.01604	1.0
67.01773	0.6
69.03359	0.9
69.56887	0.7
69.57293	2.5
71.01276	24.1
72.99197	1.9
73.02840	22.5
74.03191	0.4
74.09117	0.4
75.00777	0.8
80.91586	0.9
81.03374	0.5
81.32969	0.4
83.01276	7.0
85.02843	5.9
87.00784	2.2
89.02346	7.7
93.03359	5.0
95.01303	1.1
97.02895	0.8
97.06500	1.6
98.19814	0.9
99.00814	1.1
99.04412	0.4
101.02353	25.0
102.02714	0.5
108.02084	0.4
109.02865	0.8
111.00814	0.6
111.04436	1.1
113.02361	10.3
118.22128	0.4
119.03450	2.4
119.04955	3.8
121.02917	0.7
125.02416	1.5
126.15910	0.4
127.03937	0.6
131.03465	2.2
133.02892	0.7
134.03702	1.2
135.04471	1.2
135.98286	0.5
137.02406	2.4
143.03455	2.2
145.02884	1.1
147.04457	1.0
149.04471	1.9
151.03999	0.5
155.03468	1.3
157.05034	0.5
158.03763	0.3
161.02393	1.3
161.04503	6.5
163.03940	3.2
165.03970	0.5
173.04570	3.5
173.05930	0.7
175.04002	0.4
179.03476	0.7
179.05595	0.9
187.07648	0.7
191.05597	13.0
192.05988	0.9
195.39490	0.4
202.06429	0.5
203.05663	0.6
211.07597	0.4
215.07169	0.9
223.07587	0.5
226.06560	0.6
234.06697	0.4
238.06557	0.4
251.07260	1.1
252.07874	1.8
252.42462	0.5
253.08829	1.4
254.09570	0.5
277.14438	0.6
279.06735	0.9
291.38870	0.4
325.16675	0.6
337.09442	0.5
363.12363	0.4
397.22409	2.7
398.22501	0.4
405.14224	0.4
415.23370	3.2
419.52335	0.5
439.14447	1.0
457.15152	8.9
457.20978	1.2
458.15302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43477	0.6
55.01755	1.1
57.03337	13.1
58.00478	1.7
59.01262	76.6
67.01744	0.8
68.99697	1.8
69.03333	2.1
69.57589	4.0
71.01270	36.5
72.01591	0.7
72.99197	6.6
73.02824	5.0
75.00763	20.6
81.03355	1.0
83.01289	3.2
83.04907	7.1
85.02840	34.3
86.03156	0.6
87.00771	13.8
89.02336	13.2
91.03911	1.5
93.03347	2.1
95.01276	7.5
97.02882	0.8
99.00777	12.3
99.04414	0.8
101.02342	6.0
103.00266	2.3
109.02859	0.6
111.00813	1.2
111.04388	0.5
112.01537	1.2
113.02355	46.7
114.02677	1.7
115.00267	3.1
117.01857	4.2
119.03434	1.5
119.04896	0.7
120.05715	1.2
125.02332	1.3
129.01855	2.9
129.07143	0.6
131.03369	1.2
135.04416	1.0
143.03436	0.7
145.10092	0.6
147.08073	1.5
149.04504	0.9
151.07578	2.3
157.01353	1.2
161.02344	0.9
161.04497	1.6
161.09627	2.1
163.11229	18.7
164.11577	1.2
172.81320	0.6
173.09094	0.6
175.02383	3.3
179.05562	0.7
184.33792	0.6
189.09172	2.1
191.05592	1.0
195.06636	8.6
205.07109	1.3
207.05022	1.4
207.10252	4.6
231.05124	2.6
249.06180	34.4
249.48962	0.7
250.06493	1.6
253.18123	0.7
267.07260	100.0
268.07642	5.4
397.22366	2.0
415.23566	2.1
416.23764	0.7
439.16278	1.2
457.17242	57.9
458.17609	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	457.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73436	0.2
55.97965	0.2
57.03349	0.2
58.00481	0.2
59.01266	100.0
60.01595	1.0
61.86060	0.2
69.84826	1.1
71.01273	5.3
72.99207	0.4
73.02837	3.5
73.99499	0.2
75.00758	0.2
83.01273	1.2
85.02847	1.6
87.00788	0.6
88.73633	0.2
89.02339	3.9
93.03362	0.9
95.01314	0.4
96.99243	0.2
97.02832	0.2
98.20440	0.3
99.00778	0.3
99.25958	0.2
101.02350	4.1
109.02846	0.2
111.04415	0.2
113.02364	3.1
119.03440	1.2
119.04935	2.4
131.03429	0.3
134.03691	0.3
135.04482	0.5
135.98302	0.3
137.02386	0.3
143.03473	0.4
145.02924	0.6
149.04411	0.2
161.02374	0.2
161.04497	1.3
163.03952	2.9
173.04533	0.3
178.06349	1.1
179.05544	0.4
191.05588	2.5
192.05968	0.3
193.08687	1.6
193.10217	0.2
208.73189	0.2
213.75671	0.2
253.92264	0.2
259.32599	0.2
267.07373	0.3
268.75201	0.2
293.07004	0.3
390.23654	0.2
397.22363	1.0
415.23410	0.6
457.14670	1.4
457.24063	0.3
458.15109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46553	0.3
55.01770	0.5
56.93172	0.3
57.03334	1.8
58.00487	0.5
59.01266	100.0
60.01601	1.2
61.89507	0.4
61.98728	0.6
67.01765	0.6
69.03357	1.0
69.77339	2.5
71.01273	23.1
72.99203	1.6
73.02837	14.7
75.00768	0.6
80.91555	0.5
81.03351	0.5
83.01281	4.6
83.04940	0.4
85.02848	6.5
87.00770	2.6
89.02338	7.9
89.02836	0.6
93.03365	4.5
95.01308	1.7
95.04938	0.4
97.06498	1.9
97.42228	0.4
99.00793	1.0
99.04406	0.5
101.02348	18.3
109.02905	0.6
111.04434	0.7
113.02363	12.2
119.03430	3.2
119.04943	3.5
121.02876	0.6
125.02378	1.3
127.03871	0.4
131.03448	2.1
133.02879	0.7
134.03687	1.3
135.04460	1.6
135.98303	0.7
137.02399	1.5
143.03436	1.8
145.02896	1.0
147.04497	0.9
149.04492	0.9
155.03459	1.2
159.04488	0.5
161.02467	1.0
161.04494	4.6
163.03978	1.9
173.04585	3.7
173.06018	0.6
174.04807	0.4
175.03975	0.5
179.03430	1.1
179.05637	0.4
187.07669	0.8
191.05595	12.5
192.06015	0.9
193.05011	0.7
195.13876	0.6
202.06348	0.4
205.03508	0.4
215.07228	0.7
226.06355	0.4
229.08780	0.7
251.07213	0.9
252.08057	1.4
253.08823	1.4
253.18250	1.0
254.09343	0.5
277.14478	1.1
279.06680	0.4
280.07373	0.7
288.08539	0.4
325.16525	0.4
337.09290	0.6
362.91693	0.4
397.17972	1.1
397.22543	5.3
398.22717	0.7
415.23450	5.0
416.23901	0.6
439.14456	1.1
457.15134	7.2
457.21451	1.5
458.15665	1.4
463.44333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.7
57.03344	6.4
57.76068	0.5
58.00478	1.2
59.01267	100.0
60.01617	1.2
61.98735	0.6
65.43450	0.5
67.01784	1.0
68.99710	0.6
69.03355	1.1
69.31544	5.1
71.01271	30.4
72.99194	4.9
73.02845	7.5
75.00766	13.4
81.03368	0.6
83.01282	2.6
83.04919	3.4
85.02845	27.9
86.03198	0.6
87.00777	10.1
89.02343	15.2
93.03379	3.8
95.01301	4.8
96.96886	0.5
97.02867	0.6
97.06521	0.8
99.00788	9.1
99.04421	1.0
99.72337	0.5
100.94285	0.5
101.02346	8.7
101.02995	0.5
103.00281	2.8
109.02916	0.7
111.04443	0.8
112.01583	1.1
113.02361	40.2
114.02715	0.8
115.00306	1.4
117.01866	3.2
119.03419	2.1
119.04940	3.2
121.02859	0.8
121.06507	0.5
123.12757	0.6
125.02390	1.6
129.01871	2.1
131.03439	1.6
133.02904	0.8
134.03665	1.3
135.04448	2.1
136.01605	0.6
137.02272	0.6
143.03514	1.0
145.02896	0.7
149.04482	1.1
152.03479	3.2
157.01387	1.0
161.02417	0.9
161.04532	3.0
161.09697	1.3
163.03957	3.1
163.07639	0.7
163.11229	8.2
163.12502	0.7
164.11502	0.6
171.31721	0.5
173.04549	3.3
175.02469	2.7
178.02588	0.8
179.03441	1.0
185.21680	0.6
189.09203	1.7
191.05598	11.1
192.05916	1.2
193.03514	0.8
193.05080	0.6
205.07143	1.2
207.05141	1.5
207.10312	2.3
231.05028	1.3
249.06172	9.9
260.97754	0.6
267.07275	98.3
268.07645	6.1
309.12634	0.9
349.29218	0.7
372.00412	0.6
397.22565	1.6
406.12524	0.5
415.23587	1.8
421.21552	0.7
457.17267	34.8
458.17395	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	457.1518
Annotation	Kadangustin B
Peak:m/z	Relative Intensity
53.42138	0.1
55.01770	0.3
57.03339	0.5
59.01265	20.9
60.01605	0.2
67.99802	0.1
68.99704	1.5
69.03336	0.2
69.40643	1.4
71.01270	3.0
73.02834	1.3
79.99632	0.1
81.03365	0.1
83.01276	0.7
85.02843	1.6
87.00774	0.2
89.02346	1.1
89.03861	0.2
93.03358	0.4
95.01283	0.3
97.02847	0.4
97.19989	0.2
99.00784	0.5
99.04440	0.2
101.02353	2.7
101.46729	0.2
103.03579	0.1
107.04954	0.3
109.02864	0.1
111.00821	0.2
111.04356	0.1
113.02357	1.6
115.05444	0.9
117.03378	29.1
118.03694	1.4
118.59805	0.1
119.04944	13.5
120.05264	0.4
121.02882	0.7
123.04420	0.2
125.02351	0.4
133.02882	0.8
135.04454	0.2
141.03008	0.2
143.04967	14.2
144.05301	0.8
145.02888	100.0
146.03227	5.0
147.04417	0.4
157.06544	0.7
159.02989	0.3
159.04472	0.3
161.02422	0.4
161.04503	1.1
161.06033	1.7
162.03053	0.1
163.03960	9.6
164.04279	0.4
177.01872	2.0
187.03978	23.4
188.04298	1.3
191.05640	0.3
205.05092	1.5
222.09555	0.1
253.18120	0.2
269.10400	1.2
270.10593	0.1
299.02240	0.2
337.09412	0.3
397.12985	7.7
397.22195	0.7
398.13348	1.1
415.14081	3.9
415.22797	0.8
416.14438	0.6
457.15149	37.3
458.15503	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.2
69.93719	0.5
70.38934	1.5
71.01279	2.2
73.02847	1.1
78.95811	0.7
85.02860	1.0
86.27641	0.3
87.00776	0.5
88.01214	0.4
89.02347	0.7
93.03361	1.7
96.95930	0.7
96.96868	0.8
99.00761	1.9
101.02341	0.9
108.37877	0.4
109.02832	0.4
109.06482	1.0
110.77807	0.3
113.02399	0.7
117.03378	0.5
119.04945	100.0
120.05277	4.6
121.02848	0.6
128.03461	1.2
145.02882	0.8
154.82019	0.4
161.06046	0.7
163.03958	57.3
164.04279	3.3
173.04623	0.4
191.05577	4.3
205.04965	0.9
215.10800	0.8
251.03949	0.4
277.10727	0.5
307.19092	0.4
430.61334	0.4
457.13611	73.4
457.26440	2.1
458.13968	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	457.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19133	0.3
59.01268	2.0
70.59353	0.6
70.59740	0.8
71.01283	1.9
72.99163	0.4
73.02842	1.3
85.02838	1.0
89.02341	0.9
93.03355	0.7
99.00774	2.0
101.02338	0.6
109.06463	0.6
113.02425	0.3
119.04946	100.0
120.05297	4.1
123.04378	0.4
161.05983	0.6
163.03955	62.8
164.04297	2.9
175.64560	0.4
191.05591	0.9
205.05077	1.1
215.10730	0.7
221.63783	0.3
242.87102	0.3
266.98163	0.4
325.09387	0.6
457.13617	74.6
458.13953	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	457.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06911	0.7
59.00996	1.0
59.01268	13.6
71.01268	7.0
71.54837	0.8
72.99191	1.9
73.02850	3.1
79.11741	0.6
83.01283	0.9
83.04928	1.7
85.02836	4.2
87.00763	3.5
88.98724	0.7
89.02345	2.8
93.03342	0.9
96.95908	0.7
99.00759	1.2
99.04411	1.6
101.02337	5.2
109.06500	12.4
111.04443	0.8
113.02351	2.7
116.16219	0.6
117.03394	2.0
119.03429	0.7
119.04954	7.2
121.02858	0.7
125.02402	0.8
131.03397	1.8
132.02121	1.5
133.02876	28.4
134.03217	1.2
135.04442	13.6
137.02373	1.6
137.06001	1.1
145.02875	4.3
146.03600	0.8
149.06044	1.7
161.02386	100.0
161.04568	2.6
162.02730	5.0
163.03964	6.7
164.04628	0.7
164.08386	3.8
167.03435	0.7
177.05531	2.4
179.03455	11.4
179.07079	2.7
189.09225	1.0
191.05518	1.7
191.07045	1.2
193.04980	1.0
205.05077	1.3
215.10747	9.0
221.04543	3.1
235.06142	2.2
251.05641	3.8
270.36014	0.7
277.10864	4.0
281.06680	8.3
295.08447	3.7
296.08881	0.9
304.53735	0.6
315.80933	0.6
333.28256	0.6
337.09311	1.6
341.08795	4.5
367.10413	1.7
383.09900	79.6
384.10226	9.4
457.13397	3.3
458.13605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3539
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.68613	0.1
59.01263	0.2
69.13565	0.1
88.83734	0.1
97.06490	0.1
98.26115	0.1
236.93036	0.1
271.28589	0.1
373.25452	0.1
405.31964	0.1
407.33212	1.1
408.33435	0.2
427.56976	0.1
455.35385	100.0
456.35742	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	456.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.8
61.98719	100.0
71.01285	0.6
71.82317	0.1
73.02840	0.3
76.04408	0.1
85.02840	0.3
87.00774	0.1
89.02324	0.9
89.12662	0.1
90.02707	0.1
91.02793	0.2
93.03400	0.2
101.02370	0.4
109.02868	0.7
110.46216	0.1
113.02404	0.3
119.04913	0.7
129.01941	0.1
149.04469	0.2
153.01918	0.8
163.03993	0.5
165.03972	0.2
173.04581	0.3
179.03464	0.2
182.97362	0.1
191.05588	1.0
210.41808	0.1
211.07664	0.3
266.83704	0.1
394.18069	0.2
395.18768	0.2
396.18875	0.5
439.12701	0.2
440.84659	0.2
457.13696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	3.8
59.01267	68.1
61.98734	14.2
63.36090	2.8
67.01765	2.6
69.31471	2.1
69.52605	11.9
69.53023	6.1
71.01271	17.2
72.99200	4.9
73.02838	9.4
75.00754	11.4
83.01280	4.8
83.04919	3.2
84.81375	2.7
85.02849	9.2
87.00774	18.5
89.02351	5.2
93.03358	11.3
96.95912	2.6
98.19810	5.2
99.00768	3.5
101.02322	4.6
103.00280	33.9
105.01870	12.2
108.02104	2.4
109.33598	2.5
113.02332	6.6
115.03906	4.8
117.03372	5.8
119.04955	29.4
119.63599	2.3
128.42688	2.2
129.01883	12.8
133.02901	6.7
134.03677	74.3
135.03995	2.5
137.02394	3.7
147.04460	5.1
148.05219	2.3
149.06015	14.1
159.02896	2.5
160.01634	14.7
163.03970	22.5
169.36148	2.7
173.04486	3.9
175.03958	29.2
176.04781	19.5
177.01857	3.6
177.04007	15.0
178.02655	8.4
191.05568	22.7
191.07156	17.7
193.05061	100.0
194.05359	6.0
195.05031	7.0
207.06715	3.3
211.07550	2.6
220.03723	4.8
232.50789	2.6
235.06145	58.6
236.06572	3.5
236.10591	2.5
237.06096	7.0
246.24046	2.3
249.07664	9.6
265.07227	2.9
309.09872	44.5
310.10239	4.7
345.87616	2.7
353.08789	5.0
371.09930	38.3
372.10364	4.5
413.10818	9.1
457.14069	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	455.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12705	0.3
59.01260	0.5
64.59827	0.3
70.74174	0.4
70.74518	0.9
76.90847	0.3
92.31261	0.3
98.79745	0.3
106.47795	0.3
138.51750	0.4
193.96739	0.4
197.11818	0.4
274.33994	0.3
319.54611	0.3
367.20074	0.4
440.64838	0.4
455.35425	100.0
456.35797	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2425
Annotation	strongylophorine-26
Peak:m/z	Relative Intensity
66.49640	0.2
70.33334	0.7
73.94727	0.2
78.95793	6.9
81.08003	0.2
96.96867	0.5
101.65217	0.2
107.73531	0.2
151.69496	0.2
152.99525	14.6
153.99887	0.3
171.00638	1.1
227.03262	3.5
227.20172	100.0
228.20502	8.5
245.04242	1.2
299.68851	0.2
429.19162	0.2
455.24252	32.7
456.24579	4.5
460.11050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2667
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01764	1.1
57.03337	1.4
58.00475	1.7
59.01270	35.3
61.98722	1.6
71.01274	20.5
71.60722	0.7
71.61092	0.6
72.99219	2.5
73.02831	1.8
78.05264	0.4
81.07997	0.4
83.01277	2.0
85.02852	5.8
87.00793	0.6
88.42540	0.5
89.02345	17.0
89.02914	1.0
93.03378	0.8
95.01278	1.6
99.00774	0.9
99.04433	3.4
101.02353	11.3
102.98463	0.6
111.08041	0.9
113.02372	7.7
113.48774	0.6
119.03425	5.0
121.02885	2.9
131.03389	0.6
147.51761	0.5
167.10738	0.6
173.04491	0.5
175.07730	0.5
179.14433	0.6
181.12331	0.7
191.05606	1.3
195.14020	0.5
205.15930	0.8
223.13486	2.4
233.15488	1.1
251.07217	0.8
275.20255	5.4
276.20169	0.5
277.21854	0.9
293.18018	1.1
293.21317	20.7
294.21652	2.1
295.30368	0.5
309.60464	0.5
313.07278	1.0
315.60208	0.5
437.25732	0.7
455.26639	100.0
456.26981	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	455.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79419	0.4
57.03338	6.1
58.00476	1.0
59.01264	100.0
60.01593	1.5
61.98696	1.1
69.03348	1.3
69.48586	3.3
69.75230	0.5
71.01268	33.2
72.99200	1.4
73.02836	36.8
74.03157	0.5
75.00770	0.9
78.95804	1.0
81.03374	0.4
83.01276	11.5
83.04913	0.6
84.01620	0.4
85.02846	7.1
87.00786	1.7
89.02337	7.9
93.03378	0.9
94.48206	0.5
95.01289	1.6
96.95953	0.6
97.02843	0.6
99.00793	1.7
99.04422	4.6
101.02345	38.5
102.02699	0.7
113.02358	13.9
119.03410	4.0
125.02386	2.5
131.03436	3.2
133.02879	0.8
134.03720	0.7
135.04463	0.8
137.02382	0.8
141.01627	0.5
143.03424	3.1
145.02895	0.6
149.04521	3.4
149.06099	0.7
155.03459	1.3
161.02402	1.3
161.04501	9.0
162.10463	0.7
163.11217	2.2
173.04529	0.8
177.02019	0.5
179.03502	0.8
189.08829	0.4
191.05678	2.6
203.05644	0.9
221.06715	0.9
226.71712	0.5
233.15445	5.2
270.01877	0.9
271.02426	1.0
300.02765	0.8
311.15176	0.9
313.03656	1.0
395.21075	0.7
413.22665	0.5
455.23184	3.0
455.73618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.9
57.03331	3.4
59.01266	55.2
61.98720	14.1
63.53222	1.2
64.54112	1.1
69.03383	1.3
69.74075	6.9
69.74479	2.4
71.01269	35.9
73.02834	15.3
75.00766	8.9
78.95799	20.8
83.01283	6.9
83.04941	1.4
85.02843	19.8
87.00756	6.4
88.98693	3.4
89.02334	11.2
93.03367	9.3
95.01287	2.7
96.00841	1.5
96.95905	7.8
96.96855	9.5
97.02859	1.4
99.00795	7.6
101.02351	31.6
109.02856	1.7
111.04412	3.0
113.02360	17.2
113.03130	1.9
113.03468	2.2
114.05519	4.7
119.03430	1.8
119.04918	6.5
121.02872	2.6
123.04437	6.5
125.02342	3.3
129.01837	2.5
131.04507	2.2
134.03650	3.8
135.04462	3.5
137.02345	2.2
139.03902	4.1
141.01682	1.5
143.03503	2.0
145.02908	4.0
147.04459	1.4
152.99501	3.2
153.01814	2.2
153.05537	8.4
153.44812	1.4
159.02972	1.4
161.02408	2.3
161.04544	11.4
163.03958	5.1
164.04688	2.2
165.03993	17.1
170.04015	1.4
173.04509	7.0
179.03415	2.7
179.07114	3.6
187.07639	3.0
191.05588	24.3
192.05899	2.6
193.04968	2.2
209.11790	9.0
215.49028	1.4
263.15063	31.1
275.09283	2.0
307.11871	3.1
357.09290	3.5
373.18640	1.8
395.19287	100.0
396.19669	10.8
455.16937	12.8
455.24796	1.6
456.17072	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	455.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.6
57.03337	1.8
58.00483	2.0
59.01265	100.0
60.01596	1.3
60.75914	0.3
67.01761	0.3
69.03355	1.0
71.01270	36.3
72.01630	0.5
72.99207	2.2
73.02837	17.6
75.00763	0.3
83.01278	7.6
85.02842	8.6
86.00008	0.3
86.03181	0.4
87.00786	2.4
89.02340	22.4
90.02719	0.3
95.01267	2.6
97.02872	0.8
99.00774	1.5
99.04438	0.7
101.02348	26.8
101.06036	0.5
111.00800	2.4
113.02356	12.5
119.03416	9.0
125.02361	1.2
129.01843	0.9
131.03409	2.0
135.04457	2.4
137.09625	0.8
143.03407	2.7
149.04507	1.6
155.03438	0.3
161.02499	1.4
161.04509	4.3
173.00865	1.0
179.03461	1.6
179.05563	2.1
187.14883	0.3
189.16461	4.5
195.01242	0.3
233.15459	0.9
235.17076	1.2
247.43018	0.4
251.16573	1.3
276.65948	0.3
353.08810	0.4
369.22949	1.4
375.79846	0.3
395.20926	3.6
413.21857	4.2
414.22256	0.5
455.22964	60.5
456.23251	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	455.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00542	0.2
59.01266	100.0
60.01591	1.3
60.11450	0.2
70.61867	0.5
71.01269	2.4
73.02839	1.1
83.01283	0.4
85.02853	0.8
87.00796	0.4
89.02354	0.7
93.03371	0.4
95.01303	0.3
95.62354	0.2
96.95940	0.5
97.02898	0.3
99.04431	0.4
101.02340	1.7
101.65756	0.2
113.02362	1.3
133.02931	0.8
134.03673	0.2
135.04507	0.4
137.02353	0.3
149.04462	0.2
153.55125	0.2
161.02405	2.3
161.04591	0.5
162.02676	0.3
164.08411	1.3
176.80533	0.2
179.03522	0.3
191.05669	0.6
191.10793	0.3
203.05695	0.8
233.15619	0.3
233.32350	0.2
234.62468	0.2
251.16533	3.7
252.17038	0.5
267.07224	1.5
395.21072	0.2
455.18936	1.4
456.13226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61562	1.5
58.96950	1.4
59.01257	3.0
61.98712	2.6
69.57092	12.0
78.95799	49.4
92.55616	1.5
96.96856	3.6
99.04424	39.4
117.03384	1.7
121.68343	1.7
135.04449	2.1
140.01152	3.0
152.99533	8.0
153.12668	1.7
154.92822	1.5
167.41261	1.8
171.00612	5.4
172.01018	1.6
214.04845	3.0
255.23325	46.3
256.23688	100.0
257.24017	5.6
269.07214	2.4
284.22632	1.6
335.22491	1.9
365.60617	1.9
393.19696	38.6
394.19992	5.2
407.90411	1.8
417.26547	5.4
453.28296	42.2
454.28378	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	453.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89417	0.4
57.03319	0.4
59.01271	1.6
61.98693	0.4
69.03353	5.8
69.29104	4.8
71.04900	0.8
74.80994	0.4
78.95792	0.5
91.05421	2.6
97.06500	0.5
98.20583	0.7
99.04415	5.7
106.04163	3.6
107.04954	0.8
108.02087	2.3
117.03383	100.0
118.03719	4.3
123.04436	0.8
125.09660	1.6
132.02075	0.8
133.02881	8.0
135.04457	12.8
136.04860	0.4
138.03139	1.4
150.96118	0.4
160.84149	0.5
162.83917	2.0
167.10782	0.7
167.14323	0.6
231.19194	0.5
261.22269	1.3
264.34802	0.5
273.22183	0.9
275.23975	1.0
291.23489	0.7
305.21274	1.6
317.21310	6.8
318.21606	0.9
335.22363	89.8
336.22723	11.8
343.83191	0.5
409.27576	17.7
410.27975	3.1
453.26550	19.8
454.03925	0.9
454.26862	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	455.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	27.8
62.88765	11.0
69.71356	50.0
69.71767	17.5
71.01267	81.8
73.02851	26.8
78.95787	22.5
83.01260	11.9
85.02856	31.8
86.89421	11.0
89.02340	53.8
96.96825	14.0
98.20575	10.2
99.00770	18.0
99.73333	9.5
101.02344	52.6
101.06001	24.6
113.02384	25.6
125.02369	16.6
191.05551	12.9
239.60637	11.5
395.15723	100.0
466.10519	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	455.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01606	1.1
61.98717	0.2
65.96954	0.2
69.64797	1.2
71.01271	2.5
72.99210	0.2
73.02841	1.2
75.00773	0.3
83.01331	0.2
85.02859	0.7
85.64333	0.2
87.00806	0.5
88.54064	0.1
89.02347	0.6
93.03393	0.5
95.01305	0.2
96.95942	0.4
98.19803	0.4
99.00821	0.3
99.04436	0.6
100.30738	0.2
101.02352	1.1
101.05996	0.4
113.02345	1.2
120.41406	0.2
122.53247	0.2
133.02898	0.9
135.04483	0.6
137.02415	0.5
143.03488	0.2
143.37402	0.2
161.02403	2.4
161.04527	0.5
161.13280	0.2
162.02782	0.3
164.08386	1.3
165.08755	0.2
173.09692	0.3
179.03497	0.4
191.05623	0.4
191.10765	0.3
203.05687	0.7
205.12340	0.2
208.77234	0.2
233.15466	0.2
249.06242	0.5
251.16557	3.3
252.16960	0.3
267.07321	1.2
353.16461	0.2
373.18619	0.2
455.19019	2.0
456.19553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	9.0
68.27705	2.3
69.03342	4.6
69.99287	2.5
71.57885	2.8
75.17820	2.6
78.95794	35.4
82.02566	2.8
93.22601	2.6
95.59985	2.7
96.96841	4.7
99.04398	8.0
117.03381	100.0
118.03754	3.3
125.09679	3.0
133.02863	5.4
135.04471	12.8
152.99489	7.1
171.00655	4.6
177.54675	2.8
291.19870	6.2
300.52219	2.9
305.21414	2.9
317.21170	6.4
335.22354	83.5
336.22650	10.5
372.52420	3.0
393.19522	4.4
409.27499	16.2
453.21799	2.9
453.27606	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72068	6.1
59.01272	7.1
61.78373	5.6
62.81256	6.1
64.82277	6.0
75.65347	6.1
78.95799	62.3
88.13091	6.0
111.10002	7.8
114.65870	6.0
189.30063	6.0
196.03685	9.9
255.23306	38.8
256.23691	100.0
257.24026	7.1
453.28333	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	46.1
61.98720	57.5
69.46495	71.4
69.46944	96.5
78.95824	35.3
87.80005	17.6
89.43279	17.4
96.97721	19.2
99.04396	26.8
160.84236	31.7
171.97551	18.6
177.23003	18.6
249.12720	18.8
391.30057	23.7
400.52478	19.8
419.91669	21.9
453.34805	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	453.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72068	6.1
59.01272	7.1
61.78373	5.6
62.81256	6.1
64.82277	6.0
75.65347	6.1
78.95799	62.3
88.13091	6.0
111.10002	7.8
114.65870	6.0
189.30063	6.0
196.03685	9.9
255.23306	38.8
256.23691	100.0
257.24026	7.1
453.28333	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19112	1.4
51.42561	1.4
55.61605	1.5
59.01276	2.2
69.39909	13.1
71.01253	1.9
78.95791	1.9
83.04918	58.1
95.68240	1.5
99.04440	8.5
101.05989	81.3
102.06351	1.8
109.06518	2.9
133.37527	1.6
152.99406	1.6
173.04585	3.3
195.27400	1.7
220.33270	1.6
255.23338	3.4
271.20798	2.0
289.21878	11.6
290.22250	1.8
417.26575	100.0
418.26880	16.2
453.30234	5.0
458.41302	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	453.206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
61.98724	28.3
62.89635	16.3
67.15077	17.9
71.60705	25.5
78.95815	20.0
96.95917	20.4
98.90556	18.7
99.04412	26.0
154.32367	16.9
191.05551	39.5
223.37440	18.7
257.15460	17.7
277.21472	17.9
453.20593	75.5
453.29477	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	453.2139
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01772	0.9
57.03324	1.3
58.00478	0.6
58.43327	0.3
59.01265	33.5
60.01585	0.6
61.98724	0.6
69.03348	0.5
69.31487	2.6
69.31907	0.7
71.01270	10.2
72.99194	0.9
73.02839	3.9
76.51853	0.3
78.95766	0.3
80.03650	0.3
83.01267	2.0
85.02847	5.8
85.99973	0.6
87.00755	1.0
89.02335	1.9
93.03351	0.4
95.01260	0.9
97.02838	0.5
98.19753	0.5
99.00767	1.1
101.02345	5.3
111.00801	0.6
113.02357	3.5
119.03378	0.6
124.01609	0.3
125.02384	0.6
129.01897	0.4
135.34953	0.3
137.02368	0.3
141.01843	0.3
152.99510	0.3
153.09151	0.4
161.04495	0.7
163.95056	0.2
169.38347	0.3
173.04515	0.4
187.14873	0.7
191.05547	0.5
191.10732	1.7
191.42226	0.3
198.73335	0.3
205.15973	2.4
231.13916	4.0
232.13980	0.3
233.15465	3.9
247.54312	0.3
249.14987	15.4
250.15326	1.6
291.16095	0.3
344.24124	0.3
352.66003	0.3
363.74927	0.3
393.19272	11.2
394.19589	1.7
411.20331	52.1
412.20667	7.7
453.21393	100.0
454.21744	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	453.214
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01770	0.5
57.03344	0.8
58.00474	0.5
59.01265	40.6
60.01596	0.5
61.98717	0.4
67.55388	0.2
69.03339	1.1
71.01271	18.2
71.56131	0.3
72.01601	0.3
72.99212	0.9
73.02836	24.1
73.74514	0.2
74.03193	0.3
75.00773	0.4
81.03360	0.4
83.01278	7.4
85.02852	2.2
87.00776	2.7
89.02342	3.2
95.01314	0.6
97.02875	0.7
99.00777	0.6
99.04411	0.3
101.02348	20.4
102.02698	0.5
105.01848	0.5
113.02372	5.2
117.01693	0.3
119.03436	1.5
121.02958	0.3
125.02368	0.8
131.03433	1.5
133.02951	0.2
135.04440	0.6
143.03410	1.8
143.04982	0.5
149.04486	2.6
155.03439	0.8
161.02426	0.7
161.04512	5.4
161.09674	0.3
169.10229	0.5
169.43782	0.2
179.03487	0.3
185.13297	1.7
187.14857	0.4
191.05602	0.5
201.12811	0.6
203.05598	0.7
203.14398	0.5
221.06734	0.9
231.13916	100.0
232.14259	9.0
233.15443	1.9
234.15724	0.4
249.15085	1.3
299.02078	0.4
393.19272	0.6
411.20184	0.5
416.89154	0.3
431.52921	0.2
435.20148	0.4
453.21381	9.8
454.21768	1.5
476.66254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01789	2.5
54.47709	2.7
59.01270	100.0
60.94411	2.7
61.98720	16.6
69.39565	15.9
69.39993	11.6
71.01272	56.2
72.62597	2.5
72.99207	5.1
73.02830	15.5
78.11696	2.8
78.95774	13.6
83.01270	5.0
85.02852	18.6
87.00761	6.7
89.02344	91.5
89.53087	2.4
93.03350	12.2
96.96854	5.0
98.19798	5.4
99.00791	14.6
101.02344	38.6
103.07342	2.9
105.01817	4.8
108.02081	4.5
113.02359	24.1
114.94450	2.6
119.03419	17.0
119.04922	6.4
119.20933	2.6
125.02394	3.4
131.03400	14.7
137.02344	6.4
143.03485	4.4
149.04494	43.3
161.04497	8.9
173.04541	4.3
177.04036	3.6
179.03661	2.7
179.05560	10.3
189.09164	8.7
191.05527	24.2
191.06982	3.3
195.05115	7.4
231.10332	7.5
261.13437	8.8
275.09164	10.8
281.08539	2.7
321.19370	7.5
324.74393	2.9
337.65622	2.9
393.17749	67.7
394.18069	6.7
429.10199	5.5
453.15067	5.6
453.23514	13.0
454.16998	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	453.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21027	0.5
55.01766	1.8
57.03335	1.2
58.00482	1.1
59.01268	16.0
60.01559	0.6
60.55345	0.5
61.98709	1.1
68.43722	0.5
69.03349	0.9
71.01270	27.6
71.57900	1.1
72.99199	1.6
73.02438	1.0
73.02833	13.5
75.00765	1.0
76.22119	0.5
78.95782	0.8
83.01280	4.9
85.02845	13.2
87.00773	2.3
89.02337	5.6
93.03361	3.5
95.01288	1.1
96.95881	1.2
97.02828	1.4
99.00770	6.0
101.02351	27.6
111.04344	0.6
113.02357	11.4
117.03394	0.6
119.04912	1.5
120.99525	0.7
125.02338	2.4
127.03860	0.6
129.01877	1.1
131.03404	1.4
141.09154	0.7
143.03461	1.3
143.04872	0.6
145.02896	1.4
159.02911	2.3
159.10188	1.4
161.04497	11.9
162.04945	0.7
163.04007	1.2
173.04532	1.1
179.03380	0.8
191.05626	6.3
205.03476	0.6
233.06816	1.1
235.07584	1.6
237.09135	0.9
239.05916	1.0
261.10709	1.4
261.13483	24.6
262.13821	1.8
307.06219	1.6
321.15564	1.6
333.88885	0.6
393.17758	100.0
394.18066	11.5
453.13947	0.7
453.19757	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	453.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01610	1.2
61.98727	1.0
66.97192	0.5
68.51617	0.5
69.80900	0.4
69.81227	3.2
71.01272	19.3
72.99206	0.8
73.02837	2.7
73.71255	0.5
78.95798	5.5
81.03303	0.5
83.01284	0.6
84.33904	0.5
85.02856	4.5
87.00779	3.6
89.02349	2.3
93.03366	2.0
94.60249	0.5
95.01302	0.6
96.96867	3.2
98.19725	0.5
99.00822	1.0
101.02333	5.2
102.98530	1.8
111.04470	0.8
113.02357	3.4
115.04004	0.5
117.03433	0.6
119.04971	1.3
119.92857	0.5
129.01862	0.6
134.03714	1.2
135.04491	1.3
145.02925	1.2
147.04446	0.5
157.08643	1.2
160.01793	0.6
161.02386	0.8
161.04457	3.1
163.03955	0.7
173.04564	1.6
175.09727	5.1
179.03511	0.7
181.60159	0.5
191.05605	9.5
192.06097	0.6
201.11340	1.6
219.11026	0.5
229.10817	4.0
231.10275	0.5
233.09546	2.5
234.10059	0.6
249.15036	1.0
265.08923	0.6
273.13535	3.9
275.09476	0.9
283.05081	1.6
291.14624	4.7
292.15045	0.8
301.57098	0.5
301.72717	0.6
305.08954	0.6
319.14020	0.7
333.15598	7.7
333.18726	0.6
334.16074	1.2
361.15387	1.1
454.23563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32151	0.4
55.01764	0.9
57.03330	1.1
58.00478	0.8
59.01270	10.6
61.98725	0.5
69.03339	1.1
71.01270	11.5
71.60448	0.4
72.99210	2.6
73.02840	4.3
75.00769	0.5
78.95797	1.2
81.03347	0.4
83.01285	2.6
85.02846	5.0
86.53141	0.4
87.00767	3.6
89.02348	3.8
93.03359	1.9
95.01283	1.0
96.95937	0.9
97.02868	1.1
99.00768	1.9
101.02351	5.6
101.68626	0.4
104.67991	0.4
109.02834	0.6
111.00764	1.3
111.04457	0.6
113.02361	2.5
113.09634	1.3
115.92029	0.7
117.03378	0.7
119.04943	1.7
120.05291	0.6
123.04364	0.5
124.01595	0.4
125.02360	0.7
127.03933	0.5
129.01840	1.0
131.03392	0.6
135.04453	0.6
141.01920	0.5
141.09123	1.0
143.03197	0.3
145.02930	2.0
146.03250	0.6
159.10217	29.9
160.10519	1.5
163.03972	1.5
164.04250	0.4
173.04527	0.7
173.11720	0.4
191.05580	7.3
192.06047	0.5
201.04079	0.4
209.04492	0.9
235.07730	0.4
237.09093	0.5
275.09448	0.5
287.77051	0.4
303.14502	2.7
307.06097	0.6
315.28564	0.4
319.08490	0.4
320.34900	0.4
321.15619	33.0
322.15967	3.8
386.01990	0.4
409.10501	0.8
435.12195	0.4
435.18176	0.7
453.19873	100.0
454.20255	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	453.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.4
56.91703	0.3
57.03325	0.5
58.00487	0.4
58.99497	4.2
59.01268	15.3
60.01581	0.4
60.99198	0.4
61.45676	0.3
61.98726	2.3
67.01773	0.5
69.03339	0.4
70.71336	0.8
70.71651	0.4
71.01271	8.9
72.00794	1.2
72.99212	0.8
73.02839	9.4
73.03941	0.8
74.99026	0.7
75.00768	0.5
78.95804	0.7
83.01279	0.5
83.66294	0.4
85.02843	3.8
85.03959	0.5
86.02364	0.5
87.00772	10.6
88.98722	0.5
89.02337	4.5
89.03920	0.5
89.38646	0.5
93.03363	2.9
97.02893	0.5
97.06483	0.6
99.00792	0.9
101.02338	3.3
101.03458	0.6
102.98502	27.3
105.02715	0.4
105.03332	2.2
109.02876	0.5
111.04459	0.6
112.00323	0.5
113.02358	2.9
115.03944	0.7
116.04900	0.5
117.03394	1.7
118.06579	0.4
119.03425	1.1
119.04967	1.8
120.99576	100.0
121.99878	1.6
123.04341	0.6
129.01886	1.0
129.02916	0.4
131.03430	0.6
133.02902	5.4
133.04970	0.7
134.03673	12.4
135.04520	3.1
137.02368	6.3
137.03328	0.6
139.11206	1.0
145.02888	2.3
147.04428	1.1
149.04510	0.9
154.20879	0.5
159.02933	0.5
159.44487	0.4
160.01585	0.7
161.02336	1.3
161.04480	2.5
162.03195	3.8
163.03957	2.3
164.07112	1.7
173.04518	2.1
175.03998	1.4
177.01892	2.4
177.04012	1.5
178.02612	2.5
179.03339	0.5
186.05635	0.5
187.11188	0.9
191.05583	10.7
192.05962	1.5
193.05032	1.9
203.10977	0.5
231.10281	10.7
232.10703	1.0
239.07158	0.4
249.06174	5.1
273.11746	0.8
275.09320	27.8
276.09702	2.8
277.12393	0.6
280.76624	0.5
283.05002	29.7
284.05368	1.6
423.12671	0.5
424.15176	4.9
453.12836	0.6
453.18628	2.1
453.23563	0.9
454.15640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	1.6
62.96288	0.3
66.11312	0.3
70.15608	1.1
71.01268	1.2
72.99233	0.5
73.02789	0.3
75.00766	0.4
78.95795	92.8
85.02853	0.7
87.00739	0.7
89.02341	2.1
92.85596	0.3
93.03317	0.4
96.95900	0.5
96.96847	1.4
97.02782	0.3
98.20454	0.4
99.00787	0.4
100.03951	0.4
101.02354	1.4
108.90123	0.5
110.09674	0.3
110.89825	11.8
110.98441	100.0
111.98772	0.6
112.98703	0.5
113.02347	0.7
115.00269	0.6
117.01839	0.5
128.03448	0.3
142.05000	0.4
145.01346	0.7
149.75430	0.3
156.91875	0.3
161.04419	0.6
173.04498	0.4
179.05518	2.3
184.96945	0.3
191.05597	1.5
192.05914	0.3
209.06651	0.3
209.99612	0.3
218.76279	0.3
272.96362	0.3
317.05676	0.3
341.10913	0.6
421.08102	0.4
453.10394	5.0
453.15912	0.5
454.10675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01603	1.3
66.79294	0.7
69.22680	7.5
69.23105	1.5
71.01272	9.1
73.02843	6.4
75.00762	0.8
75.48893	0.6
75.67516	0.7
83.01290	0.9
85.02846	5.8
86.19374	0.8
87.00811	1.6
89.02351	3.0
98.19807	1.3
99.00805	1.5
101.02344	8.4
102.98487	0.9
105.51978	0.7
113.02365	5.2
113.55811	0.6
133.02911	1.3
134.03773	0.7
137.02393	2.5
149.04309	0.7
159.02919	0.8
161.02437	2.3
161.04442	3.6
177.01945	0.9
179.03419	1.1
191.05542	3.9
213.13594	0.7
267.42804	0.8
283.04861	1.8
331.17697	8.6
373.18658	3.4
453.21957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76410	0.2
59.01253	0.6
61.98705	0.3
70.15715	0.8
74.92717	0.2
78.95794	23.9
83.38795	0.2
95.04899	0.2
96.96869	1.7
99.04411	2.2
122.00020	0.3
133.02859	0.7
134.03204	0.4
135.04472	0.3
140.01117	1.8
152.99527	4.4
171.00598	4.5
192.12215	0.2
196.03728	1.2
214.04858	2.6
237.22253	0.3
248.54651	0.2
255.23329	100.0
256.23672	11.0
279.64056	0.3
378.24091	0.3
393.19745	4.2
417.26517	0.4
452.27921	23.7
453.28293	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	452.2792
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
70.07038	0.8
78.95793	18.8
83.57601	0.2
98.20559	0.2
104.97346	0.2
122.00043	0.7
134.98393	0.3
140.01122	5.2
143.29805	0.2
152.99506	1.7
166.02499	0.2
196.03781	9.3
197.04147	0.4
214.04814	1.8
219.43497	0.2
255.23329	100.0
256.23672	10.6
256.26422	0.4
452.27917	32.1
453.28265	5.0
459.02493	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	8.4
61.98713	0.6
63.02272	1.0
65.00208	1.1
69.56538	2.8
71.01263	1.4
72.99186	0.4
73.02843	0.9
78.95782	1.0
83.01262	0.7
85.02831	1.5
87.00763	1.4
89.02322	1.2
93.03344	1.6
94.97979	1.4
95.46288	0.4
96.95902	0.5
98.20544	0.6
101.02344	1.2
107.01283	2.1
109.02862	6.7
112.88504	0.3
113.02349	0.7
117.03407	0.3
119.05006	0.4
121.02865	0.6
123.00733	0.5
123.02753	0.4
125.02386	0.7
133.01968	0.5
133.02878	5.5
134.03648	0.8
135.00754	0.4
135.04422	2.2
137.02353	0.8
143.04922	0.9
145.02884	0.6
147.04463	0.7
151.00308	3.4
153.01874	3.5
155.04897	0.5
156.51991	0.5
157.02884	0.9
159.04457	0.5
161.02385	4.2
161.05994	0.6
162.02748	0.7
163.00259	0.5
171.04442	2.7
173.02348	0.9
173.04451	0.6
175.03989	1.5
177.01868	0.7
179.03433	1.5
182.03700	0.5
183.04448	0.8
187.03964	1.0
187.07539	0.5
189.09088	0.6
191.05562	4.1
192.05925	1.0
197.02475	0.5
198.03145	0.8
199.03973	8.0
201.01910	2.7
203.03397	0.8
211.07747	0.5
215.03510	3.1
226.02681	2.6
227.03487	3.6
231.13861	0.4
241.01555	0.4
242.02225	0.7
243.03011	5.3
244.03255	0.5
249.15012	0.9
255.03012	2.0
271.02530	50.6
272.02875	4.1
275.09415	0.5
299.02029	100.0
300.02484	12.4
301.03561	1.5
321.20731	0.4
332.19641	0.9
349.16672	1.0
374.20541	1.0
409.18723	1.4
411.20514	0.7
453.22241	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	453.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	8.4
61.98713	0.6
63.02272	1.0
65.00208	1.1
69.56538	2.8
71.01263	1.4
72.99186	0.4
73.02843	0.9
78.95782	1.0
83.01262	0.7
85.02831	1.5
87.00763	1.4
89.02322	1.2
93.03344	1.6
94.97979	1.4
95.46288	0.4
96.95902	0.5
98.20544	0.6
101.02344	1.2
107.01283	2.1
109.02862	6.7
112.88504	0.3
113.02349	0.7
117.03407	0.3
119.05006	0.4
121.02865	0.6
123.00733	0.5
123.02753	0.4
125.02386	0.7
133.01968	0.5
133.02878	5.5
134.03648	0.8
135.00754	0.4
135.04422	2.2
137.02353	0.8
143.04922	0.9
145.02884	0.6
147.04463	0.7
151.00308	3.4
153.01874	3.5
155.04897	0.5
156.51991	0.5
157.02884	0.9
159.04457	0.5
161.02385	4.2
161.05994	0.6
162.02748	0.7
163.00259	0.5
171.04442	2.7
173.02348	0.9
173.04451	0.6
175.03989	1.5
177.01868	0.7
179.03433	1.5
182.03700	0.5
183.04448	0.8
187.03964	1.0
187.07539	0.5
189.09088	0.6
191.05562	4.1
192.05925	1.0
197.02475	0.5
198.03145	0.8
199.03973	8.0
201.01910	2.7
203.03397	0.8
211.07747	0.5
215.03510	3.1
226.02681	2.6
227.03487	3.6
231.13861	0.4
241.01555	0.4
242.02225	0.7
243.03011	5.3
244.03255	0.5
249.15012	0.9
255.03012	2.0
271.02530	50.6
272.02875	4.1
275.09415	0.5
299.02029	100.0
300.02484	12.4
301.03561	1.5
321.20731	0.4
332.19641	0.9
349.16672	1.0
374.20541	1.0
409.18723	1.4
411.20514	0.7
453.22241	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	451.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	4.7
57.03339	3.7
58.00490	0.6
59.01265	32.4
60.01610	0.6
61.85474	0.5
68.99687	0.7
69.03351	1.3
71.01270	48.8
71.58044	0.5
72.01614	0.7
72.99194	2.7
73.02837	26.3
75.00774	1.6
75.66386	0.4
81.03343	0.5
83.01273	12.6
85.02840	26.3
86.00002	1.7
86.03197	0.6
87.00757	4.4
89.02343	11.9
93.03388	0.8
95.01295	3.7
97.02846	2.1
99.00781	11.3
99.04414	0.9
101.02348	57.2
101.05978	0.5
102.02702	1.0
111.00794	2.1
113.02351	18.5
114.02708	0.6
115.03916	1.6
119.03414	0.6
125.02364	4.0
129.01843	1.7
130.63007	0.5
131.03413	3.7
143.03407	2.3
149.04492	1.8
158.16750	0.5
159.02924	3.2
161.04500	15.4
161.05853	0.9
162.04826	0.8
173.04639	0.5
191.05598	2.3
205.03555	1.4
227.16592	0.7
233.06740	2.5
293.08890	1.6
319.21323	74.0
320.21646	7.6
363.20276	1.9
385.71033	0.5
389.72867	0.5
451.25565	100.0
452.25931	14.0
452.32031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
57.03357	1.0
59.01268	100.0
60.01606	1.2
60.34656	0.6
61.98722	4.1
67.01769	1.6
71.01277	12.1
71.60189	1.2
73.02850	3.2
75.00791	0.8
78.95798	10.5
78.96214	0.9
81.03385	1.1
83.01311	1.7
83.04924	4.0
85.02843	5.8
87.00777	2.8
89.02336	7.5
93.02773	1.4
93.03360	25.2
93.03918	1.3
94.03694	1.7
96.95947	1.6
96.96869	7.1
99.00777	1.3
99.04445	0.9
101.02360	9.9
105.47744	0.8
109.02876	1.4
111.04430	15.9
113.02343	5.2
119.03477	2.5
119.04949	22.9
121.02872	0.9
125.02347	1.1
137.02386	7.2
143.03484	1.0
145.02898	2.9
148.04114	1.1
149.04530	1.4
155.03452	20.9
156.03769	0.9
159.03021	1.3
161.04526	3.8
163.03960	29.5
164.04341	2.1
168.28716	0.8
173.04578	2.9
191.05580	11.1
192.05949	1.9
193.58086	0.8
198.06799	2.1
209.15367	0.8
239.67645	0.8
272.56415	0.9
277.68698	0.9
285.09476	15.7
285.59775	3.0
295.08176	5.7
305.99979	0.7
357.10660	0.8
365.18323	1.3
391.23471	21.5
392.23978	2.6
397.14325	1.8
451.12543	3.2
451.21805	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11008	0.6
59.01269	100.0
60.01602	1.4
61.27737	0.6
61.98725	0.7
62.96311	0.7
71.01273	0.6
71.58508	0.9
78.95815	1.5
80.97386	0.9
81.03370	2.4
83.04919	11.4
83.05375	0.9
83.19191	0.6
96.95923	0.8
112.15185	0.6
152.71455	0.6
191.05710	0.9
205.06952	0.7
387.18970	0.8
391.29800	38.0
392.30234	6.3
451.15402	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	451.2503
Annotation	20,21alpha-Dihydroxy-22-oxo-21-desoxotingenone
Peak:m/z	Relative Intensity
52.74124	0.4
59.01254	2.1
59.78351	0.4
67.90626	0.5
71.61166	0.7
71.69128	0.4
78.95783	0.6
93.03361	1.0
95.04909	0.5
97.02887	2.2
99.04417	0.5
106.04157	7.6
107.04945	11.9
108.02099	5.2
109.02896	0.7
117.14924	0.4
121.02875	2.6
123.04513	2.2
132.02087	1.5
133.02893	24.5
134.03194	0.9
138.03151	1.9
151.03960	13.4
152.04276	0.7
164.10391	0.4
189.05469	0.9
214.49420	0.5
231.06631	5.3
242.01500	0.5
273.22391	0.7
299.20203	1.3
317.21271	2.6
325.41571	0.5
407.25858	0.5
451.25015	100.0
452.25360	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	451.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
57.03357	1.0
59.01268	100.0
60.01606	1.2
60.34656	0.6
61.98722	4.1
67.01769	1.6
71.01277	12.1
71.60189	1.2
73.02850	3.2
75.00791	0.8
78.95798	10.5
78.96214	0.9
81.03385	1.1
83.01311	1.7
83.04924	4.0
85.02843	5.8
87.00777	2.8
89.02336	7.5
93.02773	1.4
93.03360	25.2
93.03918	1.3
94.03694	1.7
96.95947	1.6
96.96869	7.1
99.00777	1.3
99.04445	0.9
101.02360	9.9
105.47744	0.8
109.02876	1.4
111.04430	15.9
113.02343	5.2
119.03477	2.5
119.04949	22.9
121.02872	0.9
125.02347	1.1
137.02386	7.2
143.03484	1.0
145.02898	2.9
148.04114	1.1
149.04530	1.4
155.03452	20.9
156.03769	0.9
159.03021	1.3
161.04526	3.8
163.03960	29.5
164.04341	2.1
168.28716	0.8
173.04578	2.9
191.05580	11.1
192.05949	1.9
193.58086	0.8
198.06799	2.1
209.15367	0.8
239.67645	0.8
272.56415	0.9
277.68698	0.9
285.09476	15.7
285.59775	3.0
295.08176	5.7
305.99979	0.7
357.10660	0.8
365.18323	1.3
391.23471	21.5
392.23978	2.6
397.14325	1.8
451.12543	3.2
451.21805	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	46.0
64.50635	15.0
64.97000	14.0
69.45707	100.0
69.46114	27.8
69.46833	14.5
90.45786	13.5
96.77557	14.3
98.19717	27.2
99.04399	19.5
137.04550	15.5
139.84769	13.9
195.20468	14.3
214.49728	16.0
286.06998	17.0
316.86545	15.6
377.93539	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	451.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65117	10.0
58.80716	11.3
59.01262	30.9
59.84456	11.9
71.57100	21.7
78.95796	20.8
96.95886	18.0
99.04419	100.0
152.99539	23.5
351.21841	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	88.4
61.98711	23.2
69.46646	21.7
69.47050	100.0
71.27564	13.1
96.95908	15.1
99.04406	19.5
112.98666	13.6
226.91573	14.4
280.41052	17.2
319.22922	38.8
335.32382	16.3
359.32193	15.8
391.18710	16.0
451.27005	18.5
465.72040	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	451.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	9.1
61.98711	2.0
71.01228	1.2
71.37817	2.5
82.01504	1.1
93.03358	1.2
95.04916	4.6
96.95934	1.7
101.05982	1.4
109.06559	2.3
116.05307	1.2
117.03390	4.1
121.10158	6.2
149.09656	2.3
174.99274	1.7
226.01601	2.4
227.05879	1.5
237.80118	1.3
239.02515	1.5
244.02599	1.5
265.03912	3.2
269.07159	11.4
270.00671	1.7
279.05701	1.6
283.08582	2.1
354.10049	5.2
354.95422	1.3
356.09097	1.5
391.18124	100.0
392.18442	16.7
451.10721	1.6
451.26529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39323	1.9
56.76630	2.1
57.22120	1.7
59.01274	10.9
61.47874	1.7
61.98708	2.3
62.20967	1.7
68.05106	1.8
70.04972	5.6
70.05378	4.8
78.95792	22.0
96.96862	2.9
129.82956	1.8
133.02879	4.3
142.20940	1.7
148.15453	2.0
152.99625	4.8
171.00574	4.5
189.05534	2.4
190.19475	2.3
196.03584	2.0
209.59526	1.8
225.09929	2.2
231.06654	4.0
255.23361	100.0
406.11002	1.8
448.78915	2.0
452.28000	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	451.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99094	10.3
59.01264	83.5
61.57072	9.8
61.98683	14.8
62.55581	11.9
67.61419	12.4
71.57826	17.1
78.95796	52.6
85.02843	17.2
99.01862	11.5
99.04409	72.0
101.06012	11.8
101.16505	11.8
108.37278	12.1
121.06489	17.0
131.96834	10.8
152.34337	13.3
152.99524	100.0
154.99969	17.6
187.78635	11.1
195.78108	10.7
416.41443	11.8
451.26413	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63674	12.8
56.24313	12.9
59.01259	64.0
69.91812	13.2
71.58003	16.2
75.37688	12.9
76.14844	14.4
76.33815	15.6
78.95798	100.0
84.75495	14.1
87.68107	12.8
90.78787	13.7
99.04414	19.7
134.87350	13.6
157.22269	14.1
173.04507	14.4
187.92422	15.7
231.06476	16.1
327.95541	16.2
451.26294	25.9
452.28183	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31289	0.4
59.01265	100.0
60.01604	1.5
61.98717	6.2
63.92323	0.4
69.03347	0.9
71.01269	14.8
71.37051	0.9
72.01622	0.5
72.99213	1.3
73.02834	6.0
74.03157	0.5
75.00771	1.1
83.01296	2.2
85.02847	4.2
87.00785	1.2
87.04418	0.6
89.02341	12.0
91.39271	0.4
93.03396	1.1
95.01302	0.9
97.02897	0.8
97.06512	0.5
99.00787	3.5
99.04408	0.9
101.02351	10.5
109.02876	0.4
112.38886	0.4
113.02362	7.4
115.07547	0.6
119.03410	3.0
119.04920	0.5
121.02893	1.7
123.04489	0.5
125.02382	1.4
128.90298	0.4
129.01888	0.8
131.03453	1.6
139.03978	0.8
143.03416	0.9
145.02893	1.0
149.04559	2.1
161.04504	3.9
163.03865	0.4
174.41789	0.5
186.73106	0.5
187.13383	3.9
191.05566	3.0
191.07123	0.5
225.36458	0.5
245.23770	0.5
331.17667	12.0
332.18176	1.5
349.18747	8.6
350.19354	0.5
365.18317	0.7
388.16922	2.5
391.19797	11.7
392.20227	1.6
407.10104	0.6
451.17743	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	451.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.5
59.01264	100.0
60.01602	1.5
61.98714	0.6
63.47805	0.4
71.01268	9.1
71.10555	0.9
71.10887	0.5
73.02836	4.8
83.01292	1.5
85.02834	2.3
85.57503	0.5
87.00777	1.9
89.02339	8.6
95.01307	0.4
99.00842	0.8
101.02346	8.6
111.00790	0.7
113.02351	4.8
117.03367	0.5
119.03403	3.5
119.04967	1.8
125.02407	0.7
129.01935	0.7
131.03444	0.4
143.03438	1.0
145.02893	3.2
149.04483	1.1
161.04482	3.2
163.03941	2.2
179.05626	1.0
187.13350	4.0
191.05580	1.0
221.06595	0.4
221.12662	0.5
235.06046	0.4
236.06441	0.4
243.05002	0.5
253.14435	0.6
314.24036	0.4
331.17679	7.8
332.18207	0.7
349.18750	14.6
350.19199	1.5
391.19815	11.5
392.20370	1.8
407.10007	2.2
407.19391	0.5
451.22241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
59.01266	100.0
60.01598	1.8
61.01696	0.7
61.98724	1.5
65.58226	0.2
69.03358	0.5
70.70464	0.3
70.70800	0.5
71.01272	9.7
71.01674	0.5
72.99220	0.6
73.02840	6.0
75.00761	0.4
81.03345	0.3
83.01276	2.1
85.02852	2.4
87.00783	1.2
87.04408	0.3
89.02336	7.7
92.51829	0.3
93.03363	0.7
95.01308	0.5
96.24925	0.2
96.95955	0.7
97.02854	0.3
99.00811	0.9
99.02514	0.2
99.04417	0.4
101.02350	10.4
101.03017	0.5
102.02695	0.3
106.02301	0.3
107.04912	0.3
108.04533	0.3
111.00839	0.3
111.04486	0.3
113.02356	6.1
115.07541	0.3
119.03426	3.6
119.04893	1.2
120.99648	0.2
125.02384	0.7
129.01923	0.3
131.03450	0.9
137.02478	0.3
143.03455	1.0
145.02887	1.3
149.04530	1.4
155.03438	0.6
161.02457	0.4
161.04500	4.8
162.04817	0.3
163.03931	1.3
179.05627	1.1
185.11824	0.3
187.13383	3.2
188.13887	0.2
191.05623	1.8
203.05513	0.4
221.06702	0.6
225.11389	0.6
235.06172	0.3
257.76135	0.2
267.07312	0.4
302.30826	0.3
331.17715	6.5
332.18137	0.7
349.18738	10.5
350.19238	1.1
391.19775	11.8
392.20291	1.5
407.09998	0.5
451.22287	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01346	0.4
55.01762	0.8
57.03331	0.3
58.00469	0.8
59.01264	100.0
60.01595	0.9
69.62450	1.3
69.62871	1.2
69.71270	0.3
71.01271	15.5
72.99212	0.9
73.02835	9.3
82.74751	0.4
83.01270	2.9
85.02840	4.2
87.00786	1.6
89.02340	9.6
95.01326	1.3
97.02874	0.7
99.00787	1.2
101.02344	14.7
113.02361	6.5
119.03410	4.8
125.02342	0.4
131.03455	1.0
132.05878	0.3
143.03404	2.3
149.04562	1.3
151.11325	0.7
155.10832	0.4
159.02989	0.9
161.04500	6.4
179.05566	2.3
187.13353	4.5
188.13657	0.5
191.05617	0.4
203.05638	1.5
221.06738	0.6
229.14417	0.5
253.14595	1.3
265.38333	0.3
283.15610	1.1
331.17679	13.8
332.18152	1.5
349.18735	25.9
350.19034	2.4
350.76831	0.4
377.51596	0.4
391.19812	13.4
392.20157	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	451.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
58.00492	0.9
59.01264	100.0
60.01601	1.6
71.01271	18.1
71.38125	1.7
72.99198	0.8
73.02836	11.9
78.95793	2.5
81.03359	0.9
83.01276	4.1
85.02835	6.7
87.00801	2.1
89.02336	11.1
93.03384	1.3
95.01313	1.1
96.96898	2.0
99.00818	1.1
101.02346	14.9
102.29893	0.7
103.03941	1.4
106.60899	0.9
111.00792	1.1
112.91776	0.7
113.02352	7.5
113.02955	0.7
119.03421	5.3
120.63490	0.7
125.02371	1.2
127.03874	0.7
131.03429	0.9
134.39534	0.8
143.03488	2.5
144.37958	0.8
149.83923	0.8
161.04482	4.3
179.05669	1.0
187.13394	6.8
191.05536	3.6
203.05682	1.4
229.14484	2.1
241.67360	0.7
259.09814	0.9
304.86627	0.7
313.16660	1.1
331.17694	25.9
332.18085	3.1
349.18759	24.6
350.18985	3.6
391.19812	17.7
392.20297	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.3
58.00492	1.6
59.01268	82.7
60.01609	2.9
61.01692	1.7
61.98723	9.1
62.79625	0.6
65.03857	0.5
69.03345	1.1
71.01274	37.7
71.59552	1.2
72.01623	1.3
72.99215	4.2
73.02843	18.4
75.00771	1.7
76.28046	0.6
81.03376	0.6
83.01286	2.1
83.04910	1.0
85.02848	6.5
87.00797	2.5
89.02342	53.3
89.41764	0.6
90.02666	0.8
93.03369	3.0
95.01283	1.7
97.02850	1.4
99.00784	37.1
99.04442	0.7
101.02354	18.0
102.02704	0.8
109.02896	0.8
111.01747	0.7
111.04482	1.5
113.02355	6.2
115.03935	0.7
117.01895	0.7
119.03417	3.9
119.04964	1.4
121.02880	4.5
123.04411	1.5
125.02377	2.2
131.03421	6.7
137.02419	0.7
139.03923	0.8
139.07596	7.3
143.03490	0.8
145.02905	1.7
149.04507	8.1
155.03427	1.2
157.08646	2.5
161.04503	3.1
162.14653	0.7
163.03964	1.8
173.04451	0.9
175.04039	0.6
175.80426	0.6
186.49670	0.7
191.05602	10.6
192.05937	0.7
243.12639	0.7
311.83914	0.7
319.08377	1.3
319.14008	5.3
331.17755	1.8
349.18240	0.6
388.16583	0.9
451.18298	100.0
452.18753	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	451.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70414	0.3
59.01270	2.1
61.98703	0.5
65.03870	0.4
69.56460	0.8
69.56889	1.4
71.01264	0.9
73.02840	0.8
75.00782	0.3
81.03351	7.1
83.04916	20.9
85.02861	0.5
89.02338	0.5
93.03362	15.7
94.03690	0.8
99.00803	0.3
99.04426	0.5
101.02324	0.5
107.06059	0.7
108.04417	0.6
109.02901	0.5
111.04427	5.5
113.02393	0.3
117.03377	0.9
119.04948	39.6
120.05280	2.0
125.07111	2.5
126.05485	0.5
137.02373	14.6
138.02765	0.4
138.97775	0.3
143.08228	1.4
145.02895	5.5
155.03433	7.8
159.90962	0.3
163.03960	47.8
164.04276	2.2
173.04478	0.7
173.05927	0.3
191.05571	2.7
192.05975	1.1
193.06061	0.7
207.15027	2.7
208.13300	0.3
211.07617	0.3
224.17705	4.1
225.16101	11.0
229.08792	0.4
242.18713	1.4
257.08353	0.3
268.16797	0.4
275.09467	0.5
295.08209	1.4
309.21765	0.5
319.08292	25.8
320.08713	2.0
324.26663	1.5
333.23056	3.9
351.24188	1.0
361.09274	1.3
367.27249	1.3
433.31927	6.5
450.32166	0.3
451.12540	23.0
451.32993	100.0
452.12851	2.8
452.33289	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	451.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.5
59.01268	21.5
61.98720	4.3
65.03846	1.5
69.03349	1.0
71.01275	6.8
71.40012	0.5
71.55273	0.6
72.99199	1.4
73.02831	1.9
75.00770	0.5
78.95819	1.1
81.03351	4.3
83.01266	0.6
83.04919	13.3
83.55464	0.5
85.02837	3.2
87.00785	1.6
89.02353	3.8
93.03364	76.8
94.03706	2.9
95.01302	1.2
96.95928	0.6
96.96864	1.3
99.00782	1.3
99.04427	1.3
101.02361	4.1
102.98503	1.0
107.04888	0.5
109.02855	1.8
111.04436	55.6
112.04783	2.2
113.02325	2.1
117.03377	1.6
119.04952	87.7
120.05295	3.4
121.02885	0.6
131.03395	0.6
137.02386	19.8
138.02699	1.3
145.02910	4.9
149.04521	1.4
151.00340	0.7
155.03459	74.1
156.03799	3.3
159.06671	0.6
161.04517	1.0
163.03970	100.0
164.04298	5.3
173.04567	0.9
179.05533	0.7
180.09059	0.4
181.04932	0.9
187.07597	0.8
191.05597	6.4
192.05966	1.6
193.06102	1.5
275.09344	1.7
276.09747	1.0
277.09949	0.9
285.09369	1.5
285.59760	0.5
295.08304	22.3
295.40436	0.5
296.08701	2.4
314.78348	0.5
319.08459	2.1
319.17596	0.5
390.22189	1.3
391.23013	1.6
407.19165	1.2
410.84512	0.5
451.12436	12.2
451.21967	2.3
451.26498	1.1
452.12494	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	451.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
57.03343	1.4
58.00498	0.4
59.01265	100.0
59.93840	0.4
60.01596	1.4
61.01689	0.6
61.98708	1.5
69.03356	1.8
69.81206	2.9
71.01270	12.2
72.99203	0.6
73.02841	6.6
81.03375	0.9
83.01268	3.8
85.02847	3.4
87.00773	8.0
89.02338	7.4
93.03364	1.7
95.01306	1.1
95.38348	0.5
96.95922	1.7
97.02885	2.2
99.00781	0.5
99.04438	0.9
101.02342	10.3
109.02814	0.7
111.00786	3.4
111.04447	1.2
113.02374	6.3
117.03375	9.6
118.03721	0.5
119.03568	2.7
119.04942	18.8
120.05286	1.1
121.02908	1.0
125.02372	0.6
127.03983	0.6
129.01859	7.1
131.03484	0.6
133.02901	0.6
133.06537	1.9
141.01920	0.7
143.03464	1.6
145.02885	40.4
146.03265	2.2
149.04507	1.1
153.02013	0.5
161.04553	3.4
161.06053	2.2
163.03947	15.5
171.02989	3.2
171.04196	0.5
179.05592	0.9
183.02968	1.2
187.03932	0.8
187.13432	2.2
191.05566	4.4
201.04051	3.3
205.05104	1.8
235.06148	2.8
243.05180	3.5
261.06143	0.6
303.09033	0.6
313.10916	0.8
319.08304	0.7
331.17685	7.0
347.07932	2.2
349.18756	9.1
365.08890	1.0
373.13260	0.6
391.19666	7.5
392.20337	0.7
407.09930	15.8
407.15030	0.8
408.10178	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88379	0.2
50.88739	0.2
51.51946	0.2
51.80193	0.2
59.01258	2.4
61.59675	0.2
67.01767	0.2
69.60189	1.1
69.60620	0.4
71.01291	0.3
78.95801	1.3
83.01314	0.2
85.02844	4.9
87.00766	1.0
93.03343	1.4
96.95913	8.0
96.96837	1.3
101.02349	0.3
108.90102	3.4
111.04417	0.7
127.03957	1.3
133.02893	0.4
134.03717	0.2
135.04459	2.3
161.02412	1.6
171.02910	0.5
173.04584	1.4
179.03462	1.7
186.26492	0.2
191.05583	100.0
192.05911	4.2
207.05038	0.2
237.93370	0.2
252.09511	0.2
353.08850	22.9
354.09161	2.6
451.06696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02420	0.6
57.03333	0.6
59.01269	8.8
61.98710	1.3
69.03338	0.5
69.40860	4.1
69.41279	1.1
71.01262	1.2
85.02830	1.3
87.00747	1.2
89.02333	0.8
93.03329	1.0
99.04438	1.3
101.02327	1.5
107.01291	2.0
113.02328	1.8
115.03914	1.2
133.02866	1.2
135.00708	0.8
135.04449	0.9
136.01595	2.5
137.02374	5.2
145.02884	0.9
147.04422	0.7
151.00363	2.7
152.55803	0.6
160.01549	0.6
161.02359	1.1
163.00348	0.7
164.01134	1.2
167.10709	0.6
171.04492	0.9
175.03983	0.7
191.05569	1.3
199.03944	3.8
201.01875	1.8
203.03517	0.7
206.74695	0.6
214.02689	1.5
215.03427	2.6
216.04042	0.9
226.02724	1.4
227.03540	4.4
229.01382	0.7
241.01433	3.1
242.02214	14.6
243.03003	32.0
244.03473	3.0
245.00961	2.7
254.02412	0.7
255.03043	6.2
257.04596	7.2
270.01752	15.0
271.02527	44.2
272.03073	5.4
283.02655	0.7
285.00974	1.2
285.04114	19.6
286.04684	3.9
287.05325	0.9
297.42001	0.6
298.01309	2.3
299.02075	4.0
300.02808	33.2
301.03204	3.1
313.03604	44.0
314.04373	48.8
315.05164	100.0
316.05487	11.4
335.22421	0.9
336.22534	1.2
451.07303	1.3
451.27966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86057	0.5
59.01267	35.7
60.01615	5.1
61.01692	5.1
61.98719	100.0
62.05866	0.6
68.69940	0.5
69.88035	0.5
71.01277	2.9
71.30141	1.4
72.93333	0.5
75.84399	0.6
79.36431	0.5
79.38826	0.6
84.56560	0.6
85.02832	1.5
87.00768	0.8
89.02361	2.6
93.03365	3.0
101.02348	1.5
103.33209	0.6
111.04443	1.4
117.03414	1.2
119.03405	0.8
119.04937	2.9
129.01869	0.7
137.02473	1.0
145.02881	4.5
155.03540	1.6
161.04553	0.6
163.03912	4.2
169.85448	0.6
187.07611	0.8
188.07967	1.0
191.05637	4.0
232.10686	0.8
275.09335	1.1
276.09747	2.9
319.08347	4.6
390.21490	1.1
407.09821	1.1
450.24033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.2
59.96840	0.1
61.98713	0.2
69.03364	0.2
69.98698	0.9
70.50909	0.2
72.99195	0.7
78.95795	4.9
81.38145	0.2
87.00764	0.3
90.59096	0.2
99.04412	1.7
100.04768	0.3
101.06024	0.2
115.62646	0.1
118.46033	0.2
122.00040	0.3
124.15267	0.2
140.01094	2.0
140.94130	0.1
145.02882	0.3
146.03304	0.2
152.99522	1.2
168.88503	0.2
180.34390	0.2
196.03816	1.1
208.55452	0.2
214.04851	2.6
253.21758	100.0
254.22105	9.0
334.20908	0.2
388.25748	0.2
415.63974	0.2
425.61417	0.2
432.24466	0.2
450.26279	12.3
451.22348	0.1
451.26828	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2768
Annotation	Bu 4164E-A
Peak:m/z	Relative Intensity
55.01766	1.2
56.34186	0.2
57.03339	1.8
58.00480	0.6
59.01264	25.6
60.01596	0.7
60.99194	1.7
61.01690	0.5
61.98706	0.5
67.01773	4.2
69.03333	1.8
69.26890	0.4
69.27283	2.6
70.03675	0.2
71.01269	14.3
72.01605	0.6
72.99197	1.4
73.01712	0.3
73.02834	4.0
75.00770	0.7
81.03354	1.1
83.01285	2.4
83.04921	0.6
85.02841	7.5
85.99993	0.4
86.03155	0.3
87.00766	8.0
89.02335	6.7
89.03854	0.3
90.02689	0.5
91.02753	0.4
93.03358	27.3
94.03682	1.0
95.01288	1.3
97.02890	1.2
97.06495	0.3
98.20530	0.5
99.00782	2.6
99.04432	0.7
99.08042	0.6
101.02341	7.7
101.03010	0.4
102.02700	0.3
103.02785	0.3
107.05006	0.2
109.02863	0.5
111.00803	1.7
111.04434	3.8
112.01618	0.3
113.02351	3.7
115.03928	0.5
117.03389	0.6
119.03434	1.0
121.02859	0.5
121.06516	4.8
122.06813	0.3
123.08070	0.5
124.01585	0.6
125.02361	0.9
127.03935	0.9
129.01855	0.9
131.03419	0.3
132.02072	0.9
133.02870	1.7
134.03670	5.0
135.04454	6.1
136.04797	0.5
137.02385	0.7
141.01918	0.3
141.12778	0.6
143.03455	0.6
145.02872	0.6
149.02449	0.5
149.04480	0.9
150.03175	0.4
151.03952	0.8
151.05072	0.4
152.99489	0.3
155.03432	0.6
159.10083	0.4
160.01601	1.9
161.02380	2.6
161.04485	0.5
161.69238	0.2
162.03178	2.6
173.04506	18.4
174.04843	0.7
175.20683	0.3
177.01888	0.7
177.68571	0.3
178.02679	0.8
179.03410	1.7
191.05580	30.0
192.05910	1.1
199.13383	0.5
203.10814	0.4
219.17528	0.3
237.61893	0.3
239.19868	0.3
241.21730	0.5
249.05878	0.3
257.08221	1.3
258.94910	0.3
267.07162	0.3
269.21271	2.8
270.21466	0.3
271.02512	0.5
271.20688	0.7
275.09335	3.0
285.20798	0.6
287.22339	28.8
288.22720	2.9
289.21826	2.3
290.22253	0.3
299.02133	0.4
299.22156	0.3
300.22510	0.3
301.23788	0.5
307.08237	0.6
308.09140	1.4
329.23337	0.6
333.20795	3.2
334.21164	0.5
339.05234	0.4
351.07315	1.2
352.07928	1.1
353.08325	0.4
405.22937	2.5
406.23410	0.4
431.26529	1.5
432.27460	0.3
449.14828	12.6
449.27652	100.0
450.15091	2.2
450.28024	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	449.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06564	0.2
59.01258	0.4
70.91711	0.4
70.92039	0.3
78.95792	4.3
110.98440	3.3
127.69302	0.2
152.99506	1.5
155.11658	0.2
167.01088	1.5
171.10181	0.4
185.02173	3.8
281.24918	100.0
282.25266	10.9
323.64053	0.2
449.26807	8.8
450.27338	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.4
68.17382	0.3
70.44630	1.1
78.95801	7.0
78.96240	0.2
81.69130	0.4
83.04955	0.5
101.02357	0.3
101.05994	1.3
109.43756	0.4
110.98454	4.3
131.26956	0.3
149.85278	0.4
152.99545	1.5
167.01118	2.5
172.68628	0.4
185.02216	3.0
281.24911	100.0
282.25262	11.5
301.21811	0.4
391.28656	0.3
403.28635	2.1
404.28912	0.6
425.69965	0.4
449.26770	10.8
450.26959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.2
56.34186	0.2
57.03339	1.8
58.00480	0.6
59.01264	25.6
60.01596	0.7
60.99194	1.7
61.01690	0.5
61.98706	0.5
67.01773	4.2
69.03333	1.8
69.26890	0.4
69.27283	2.6
70.03675	0.2
71.01269	14.3
72.01605	0.6
72.99197	1.4
73.01712	0.3
73.02834	4.0
75.00770	0.7
81.03354	1.1
83.01285	2.4
83.04921	0.6
85.02841	7.5
85.99993	0.4
86.03155	0.3
87.00766	8.0
89.02335	6.7
89.03854	0.3
90.02689	0.5
91.02753	0.4
93.03358	27.3
94.03682	1.0
95.01288	1.3
97.02890	1.2
97.06495	0.3
98.20530	0.5
99.00782	2.6
99.04432	0.7
99.08042	0.6
101.02341	7.7
101.03010	0.4
102.02700	0.3
103.02785	0.3
107.05006	0.2
109.02863	0.5
111.00803	1.7
111.04434	3.8
112.01618	0.3
113.02351	3.7
115.03928	0.5
117.03389	0.6
119.03434	1.0
121.02859	0.5
121.06516	4.8
122.06813	0.3
123.08070	0.5
124.01585	0.6
125.02361	0.9
127.03935	0.9
129.01855	0.9
131.03419	0.3
132.02072	0.9
133.02870	1.7
134.03670	5.0
135.04454	6.1
136.04797	0.5
137.02385	0.7
141.01918	0.3
141.12778	0.6
143.03455	0.6
145.02872	0.6
149.02449	0.5
149.04480	0.9
150.03175	0.4
151.03952	0.8
151.05072	0.4
152.99489	0.3
155.03432	0.6
159.10083	0.4
160.01601	1.9
161.02380	2.6
161.04485	0.5
161.69238	0.2
162.03178	2.6
173.04506	18.4
174.04843	0.7
175.20683	0.3
177.01888	0.7
177.68571	0.3
178.02679	0.8
179.03410	1.7
191.05580	30.0
192.05910	1.1
199.13383	0.5
203.10814	0.4
219.17528	0.3
237.61893	0.3
239.19868	0.3
241.21730	0.5
249.05878	0.3
257.08221	1.3
258.94910	0.3
267.07162	0.3
269.21271	2.8
270.21466	0.3
271.02512	0.5
271.20688	0.7
275.09335	3.0
285.20798	0.6
287.22339	28.8
288.22720	2.9
289.21826	2.3
290.22253	0.3
299.02133	0.4
299.22156	0.3
300.22510	0.3
301.23788	0.5
307.08237	0.6
308.09140	1.4
329.23337	0.6
333.20795	3.2
334.21164	0.5
339.05234	0.4
351.07315	1.2
352.07928	1.1
353.08325	0.4
405.22937	2.5
406.23410	0.4
431.26529	1.5
432.27460	0.3
449.14828	12.6
449.27652	100.0
450.15091	2.2
450.28024	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	449.2557
Annotation	[1R-[1R*,4R*,6S*(Z),9R*,10R*(Z),11R*]]-[9-(1-Hydroxy-1-methylethyl)-1-methyl-10-[(2-methyl-1-oxo-2-butenyl)oxy]-5,12-dioxatricyclo[9.1.0.04,6]dodec-6-yl]methyl ester  2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
50.04543	1.0
57.03339	7.1
59.00996	1.4
59.01266	23.4
59.98413	2.1
60.99178	1.2
61.98710	3.3
67.01780	1.5
69.03342	10.2
69.34545	1.0
71.01269	8.5
71.04906	2.4
71.57716	1.4
73.02829	4.0
74.28372	0.9
78.95801	11.9
83.04932	4.0
85.02838	7.7
87.00767	3.8
87.04381	1.3
93.03349	16.2
95.04921	2.6
97.02860	18.3
97.06504	2.9
99.04421	100.0
100.04764	3.8
101.02341	3.2
105.03359	1.9
107.04921	2.0
109.06499	2.4
111.04424	4.8
111.11037	1.2
113.02351	2.3
115.03939	1.4
116.92781	1.6
118.89861	2.0
119.04950	1.5
121.02882	1.2
121.06517	5.0
133.02884	12.4
134.03621	4.1
135.04424	3.3
137.02370	1.4
137.06003	2.7
149.09596	1.3
152.99525	6.0
161.02390	1.1
161.09679	3.4
163.11211	1.6
173.04518	9.0
174.98141	1.2
175.08865	1.0
175.11310	2.0
176.03938	1.3
177.01906	3.4
179.03340	2.1
191.05620	7.3
196.03845	1.1
205.16092	1.7
217.16058	2.2
229.16185	1.2
231.17528	4.8
235.04362	1.0
259.20908	1.3
261.18539	1.1
263.14798	5.8
269.19312	2.1
275.09338	2.1
277.21729	1.8
287.20175	2.7
289.21866	1.7
305.21399	1.7
323.11032	1.5
331.19211	4.3
337.12430	1.9
349.20306	6.2
349.27490	7.0
350.17148	6.7
350.67551	3.2
351.07501	1.5
351.17377	1.5
351.21582	1.2
354.21259	1.2
361.66937	1.4
362.17014	1.8
389.23019	2.0
390.22806	2.4
391.24884	2.9
431.24475	3.6
449.17740	23.4
449.25467	94.2
450.18570	2.8
450.25830	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	449.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.8
57.03328	1.2
58.00491	0.6
59.01268	100.0
60.01608	1.3
60.99184	0.7
61.98718	1.6
67.01785	2.3
69.03347	1.0
70.91197	1.4
71.01275	31.8
72.01577	0.7
72.99212	2.1
73.02840	6.1
75.00758	0.7
83.01305	2.4
83.04937	1.1
85.02852	14.1
87.00779	5.1
89.02341	22.5
92.10363	0.6
93.03365	17.0
95.01299	2.0
97.02876	0.9
97.49154	0.6
99.00793	2.5
99.04424	1.2
101.02352	18.3
102.02732	0.9
111.00845	1.0
111.04434	4.4
113.02361	12.9
114.02746	0.8
117.03383	0.6
119.03416	9.6
119.04134	0.9
119.04984	2.2
125.02412	1.1
127.03992	2.1
129.01875	0.9
131.03412	1.7
133.02905	1.1
134.03671	1.2
135.04475	1.0
143.03467	2.2
149.04575	0.8
149.06009	0.8
155.03484	2.5
158.03641	0.7
159.02985	2.5
159.04430	1.7
161.02486	1.0
161.04512	22.2
162.04889	0.8
163.03998	2.0
172.05281	1.4
173.04533	11.7
173.06032	1.9
174.06805	1.1
179.05608	4.6
183.04402	0.7
187.03978	0.8
187.07608	9.6
188.08037	0.7
191.05589	76.6
192.03027	0.6
192.05948	5.1
201.05598	0.7
202.06299	3.0
203.10860	1.0
205.03587	0.9
213.09203	6.6
215.07207	3.0
221.01306	0.7
227.16565	5.8
228.04404	0.7
229.08768	1.0
231.06683	0.9
231.10286	9.5
232.10744	0.9
243.56161	0.6
257.08264	10.9
258.08682	1.3
275.09338	21.0
276.09860	1.2
333.50696	0.6
343.80737	0.6
389.21915	64.3
390.22226	9.1
449.14862	7.0
449.24417	1.0
450.15173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.2
57.03335	0.2
59.01267	100.0
60.01606	1.5
61.98719	8.2
69.03362	0.3
69.87032	0.2
71.01273	4.6
71.01672	0.3
71.15447	0.2
71.15790	0.5
72.99197	0.4
73.02834	1.3
78.55074	0.2
81.03358	0.2
83.01292	0.5
83.04936	0.3
85.02841	1.8
86.03152	0.2
86.86693	0.2
87.00778	0.7
89.02357	1.6
93.03375	0.8
95.01308	0.4
96.95910	0.2
97.02957	0.2
99.00792	0.8
101.02350	3.1
105.74910	0.2
111.04427	0.3
113.02362	1.6
118.87251	0.2
119.03440	0.8
119.04936	0.3
119.28603	0.2
125.02404	0.7
132.04176	0.2
142.76071	0.2
143.03445	0.3
145.02901	0.3
151.03983	0.2
155.03447	0.4
158.03709	0.2
159.02962	0.6
159.04497	0.4
161.04517	4.3
173.04541	0.7
173.05995	0.3
179.05635	0.4
187.04039	0.3
187.07608	1.4
191.05614	2.8
192.05876	0.3
202.06355	0.3
203.10747	0.3
205.03583	0.2
206.04678	0.3
231.10387	0.8
259.06201	0.4
269.04718	0.5
275.09326	3.6
275.12054	0.3
276.09665	0.4
287.05634	0.2
329.15857	0.3
387.16708	2.8
389.17694	0.5
389.22067	5.1
390.22318	0.8
449.11044	0.4
449.19611	0.5
449.24991	0.3
450.10117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26622	0.3
55.01769	0.6
57.03342	1.6
58.00487	0.9
59.01267	53.3
60.01603	0.7
60.99195	1.3
61.98720	3.6
67.01781	3.8
69.03345	0.9
70.88803	0.5
70.89114	0.4
71.01276	15.5
72.01624	0.4
72.99200	1.3
73.02826	3.0
75.00761	0.6
78.02987	0.3
81.03349	0.7
83.01294	1.5
83.04926	1.2
85.02845	10.4
87.00780	7.1
89.02343	13.5
93.03361	21.5
94.03722	0.8
95.01299	1.3
97.02866	0.4
99.00779	2.1
99.04430	0.7
101.02347	10.4
109.02849	0.9
109.06510	0.4
111.00803	1.0
111.04435	4.0
113.02359	7.3
113.05372	0.3
115.03913	0.4
119.03428	5.2
119.04880	0.3
125.02375	0.6
127.03926	2.2
129.01859	0.7
131.03456	0.6
135.04475	0.5
137.02335	1.0
138.01904	1.0
143.03444	1.5
145.02968	0.3
149.04449	0.5
155.03452	1.4
158.03696	1.2
159.02963	1.0
159.04448	2.2
161.02405	0.5
161.04509	5.9
162.04817	0.3
171.02873	0.4
172.05234	0.9
173.00742	0.3
173.04527	12.9
173.05980	1.2
174.04930	0.5
174.06795	1.4
175.07635	1.5
179.05559	1.9
183.04530	1.0
187.04005	0.7
187.07635	9.5
188.07988	0.6
191.05589	100.0
192.05946	4.4
200.04755	1.0
201.05516	0.4
202.06331	2.5
203.07059	0.5
203.10713	1.7
207.19258	0.3
209.15378	0.4
211.09801	0.3
211.11700	0.3
213.05704	0.5
213.09230	3.4
215.07111	2.1
216.07726	0.3
225.15085	0.4
227.03369	0.4
227.16499	2.0
228.04335	0.4
229.08665	0.7
231.10304	4.4
257.08243	11.7
258.08566	1.0
269.14197	0.3
275.09348	11.5
276.09637	0.7
298.02832	0.3
389.21924	37.8
390.22290	4.5
433.20691	0.4
449.14813	7.4
449.20364	1.2
450.14890	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2321
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
50.41541	0.2
51.26837	0.1
53.43557	0.2
55.96531	0.2
57.03356	0.2
59.01258	1.6
62.96270	0.2
71.01267	0.2
71.04910	0.5
73.02844	0.3
78.95794	49.9
85.02840	0.4
85.21931	0.2
87.94333	0.2
93.03365	0.3
96.96866	6.1
98.19735	0.3
99.04417	3.2
101.06006	0.4
111.04407	0.2
113.02351	0.4
115.03925	1.3
121.06496	0.4
135.04445	0.2
137.02364	0.5
150.97971	1.6
152.99527	100.0
153.99867	1.9
161.02425	0.2
170.99202	0.3
171.00604	4.2
179.54611	0.2
191.05629	0.2
295.22827	0.5
305.21039	0.5
306.21747	0.2
335.22165	0.4
342.43085	0.2
349.20108	0.5
389.23193	0.2
405.25638	0.8
449.23145	15.6
450.23355	2.3
458.65286	0.2
469.93704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51887	0.5
51.96912	0.4
57.03339	1.1
58.04219	0.5
59.01265	100.0
60.01601	1.6
61.01685	0.6
61.98714	11.2
63.54723	0.5
69.55048	4.5
71.01270	13.2
71.04912	0.6
72.99191	1.7
73.02824	2.9
75.00783	0.5
81.03341	1.2
83.01286	1.6
83.04935	1.2
85.02846	5.4
87.00782	2.0
89.02336	9.6
92.76130	0.7
93.03356	3.7
95.01290	1.0
96.95924	1.0
97.02865	0.8
99.00814	1.7
101.02350	8.2
101.90462	0.5
109.02869	1.2
110.44033	0.5
111.04475	1.4
113.02358	5.8
119.03419	4.2
121.02918	0.7
125.02366	6.2
131.03403	0.7
135.04472	1.3
137.02383	1.0
143.03462	1.5
143.04559	0.7
146.03722	1.1
149.02426	0.7
149.04462	1.2
151.00298	1.0
153.01912	0.9
155.03456	1.7
155.10768	1.6
158.03685	3.7
159.03111	1.0
159.04468	6.9
161.04517	8.7
163.03970	0.7
165.01865	0.9
172.05225	1.3
173.04529	5.7
173.06055	3.7
174.06882	0.8
175.03995	0.6
175.07619	1.1
178.99811	0.8
179.03404	0.6
179.05592	1.2
185.06079	0.5
187.03990	2.2
187.07623	13.8
188.04478	0.6
188.08163	1.1
191.05600	11.8
192.05765	0.7
201.05659	0.9
202.06331	2.9
203.10738	4.0
213.09325	1.2
215.07191	1.4
227.16519	3.1
231.10312	5.9
232.10698	1.3
257.08228	1.2
259.06186	4.6
269.04532	4.5
275.09326	44.8
276.09729	3.5
287.05441	2.4
317.15918	0.7
329.16177	0.7
373.45972	0.5
389.21967	16.5
390.22351	2.3
449.10571	2.3
449.14722	4.0
449.20474	3.4
449.25220	1.3
450.10968	0.7
450.20697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22902	0.2
53.92038	0.1
54.67087	0.2
56.23373	0.2
57.03345	0.3
59.01261	2.8
61.98728	0.3
62.96291	0.3
63.47763	0.2
63.71664	0.1
67.01801	0.2
69.03336	0.2
69.43353	0.6
69.43774	1.0
71.01276	0.3
71.04903	0.2
72.99199	3.6
78.95794	52.4
81.03369	0.3
81.55685	0.2
83.04903	0.3
85.37022	0.2
93.03358	0.8
94.91853	0.2
96.96864	6.4
96.97507	0.3
97.02851	0.2
99.04423	4.5
100.04769	0.2
100.98003	0.2
101.06015	0.2
111.04418	0.2
115.03926	0.8
119.04875	0.2
121.06503	0.4
133.02853	0.7
133.34468	0.1
135.04422	0.5
145.02846	0.5
150.97964	1.7
152.99525	100.0
153.99883	1.6
155.03392	0.2
161.02405	1.0
171.00594	3.9
171.10164	0.4
173.04507	0.4
175.53551	0.2
176.03914	0.3
179.03496	0.4
179.05562	0.2
191.05551	0.8
231.10164	0.2
275.09158	0.2
275.20053	0.2
277.21594	0.3
287.20062	0.6
295.22754	0.2
305.21207	0.4
349.20242	0.2
349.27304	0.3
360.21524	0.2
387.25266	0.6
389.21710	0.2
431.24304	0.3
432.24362	0.2
449.23224	10.7
450.23853	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	449.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62009	0.5
57.03338	1.4
59.01265	100.0
60.01600	1.5
60.62965	0.5
60.99189	1.8
61.41786	0.5
61.98727	1.0
67.01784	4.0
69.03355	2.2
70.42799	1.7
70.43169	0.9
71.01268	8.1
71.04910	0.6
72.99206	1.4
73.02836	2.7
75.00764	12.4
79.12150	0.5
81.03336	1.3
83.01276	0.7
83.04922	1.6
85.02837	4.7
87.00769	8.3
89.02338	3.9
93.03360	30.4
94.03715	1.1
95.01294	1.2
96.95897	0.7
99.00796	2.2
99.04434	1.4
101.02351	4.0
102.30407	0.6
105.03380	1.6
109.02843	1.4
111.00787	1.1
111.04428	4.0
113.02328	3.6
115.00275	0.7
115.03909	0.8
116.51214	0.5
118.43606	0.7
118.98000	2.4
119.03403	0.7
125.02364	0.8
129.01923	1.0
132.02159	0.6
133.02875	4.9
134.03677	8.5
135.04471	5.9
137.02400	1.1
143.03438	0.9
145.02991	0.9
152.01155	0.7
152.89687	0.7
155.03468	1.5
161.02394	5.9
161.04550	1.8
162.03180	3.5
173.04514	22.5
174.04918	1.2
174.32573	0.5
177.01938	1.1
178.02750	1.6
179.03427	3.1
179.05690	0.5
183.10294	0.6
185.11845	1.3
187.07678	0.7
191.05592	11.3
192.05942	0.9
199.13365	3.1
213.33090	0.5
231.10265	5.8
249.06128	2.8
253.04935	0.7
257.08215	0.7
266.85388	0.6
275.09338	19.8
276.09750	2.0
329.16254	2.0
334.11063	0.6
339.05215	0.7
347.17322	2.1
389.17969	1.3
389.22260	1.2
405.18225	0.6
449.14667	15.7
449.20505	11.2
450.15332	2.8
450.21017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39414	4.6
52.06029	4.5
55.23666	4.5
57.03331	5.0
58.09942	4.8
59.00993	8.2
59.01265	95.1
61.05156	4.7
61.98740	6.2
62.42983	4.5
68.16438	4.2
71.01265	13.8
71.60174	9.2
73.02822	7.6
78.95792	32.3
85.02871	7.4
87.00756	11.2
89.02362	9.3
93.03340	6.3
99.04442	27.4
101.41647	4.9
119.70705	4.4
121.06534	8.1
133.02814	6.4
152.99550	12.4
161.02373	12.2
161.04530	4.7
214.04890	8.3
230.71294	5.2
253.21794	18.7
277.21744	8.2
278.22086	18.0
279.22372	31.0
280.22665	9.4
281.22845	12.1
289.21826	6.9
314.67816	4.7
333.20697	7.6
347.17319	7.2
389.16525	100.0
390.16809	13.5
405.22894	5.6
410.69754	4.5
416.03589	4.8
441.90881	5.9
444.41870	5.1
449.25531	19.9
450.26074	15.3
455.96552	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	449.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01601	1.0
67.01790	0.6
69.03368	0.5
69.41597	1.3
69.42017	0.8
71.01280	1.3
73.02838	0.5
75.00764	0.6
75.76521	0.3
81.03327	0.3
81.96928	0.2
85.02860	0.8
87.00766	1.2
89.02364	0.5
91.82150	0.2
93.03355	4.3
93.03915	0.3
101.02386	1.0
105.03339	0.3
111.04448	0.9
113.02385	0.9
113.09637	0.4
133.02925	0.5
134.03712	1.6
135.04478	0.6
137.02332	0.2
161.04520	0.4
162.03232	0.8
173.04521	3.7
185.11801	2.2
191.05586	5.0
231.10214	1.5
254.61938	0.2
257.08408	0.6
275.09293	4.2
276.09683	0.4
329.16357	0.5
347.17245	1.6
389.18207	2.0
449.14667	2.8
450.15253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09302	0.3
57.03337	0.4
59.01264	100.0
60.01594	0.9
67.01775	0.6
69.03355	0.3
69.40418	2.2
70.82472	0.2
71.01266	1.8
73.02843	0.4
75.00751	0.3
81.03357	0.2
83.04980	0.3
85.02838	0.6
87.00758	1.2
93.03359	5.0
105.03417	0.2
111.04461	0.8
113.09631	1.5
115.91965	0.4
116.92790	1.0
117.03374	0.3
130.51410	0.2
133.02878	0.7
133.61996	0.2
134.03674	2.4
135.04437	0.7
155.03503	0.3
161.02354	0.3
161.04507	0.4
162.03192	1.0
173.04517	3.3
177.02081	0.3
185.11809	8.9
186.12172	0.5
191.05588	1.7
225.91376	0.2
231.10275	1.5
275.09332	4.0
276.09692	0.4
329.16251	0.5
347.17087	2.4
348.17776	0.3
366.64127	0.2
374.03632	0.2
389.18298	3.0
390.18927	0.3
449.08481	0.4
449.14615	2.7
450.14819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.4
57.45096	0.5
59.01265	100.0
60.01609	1.4
65.68541	0.5
69.03355	0.6
71.01271	8.7
71.33771	1.0
73.02831	3.8
73.40038	0.5
75.00768	6.7
83.01280	1.2
85.02822	3.3
87.00804	2.0
88.42418	0.5
89.02343	3.5
93.03367	3.8
96.95901	1.1
97.02879	0.6
97.06525	1.7
99.00757	0.5
101.02341	6.4
109.02866	0.7
113.02361	3.8
117.03399	0.5
119.03422	1.2
119.54447	0.5
125.02409	1.0
127.07581	1.5
133.02888	4.7
134.03719	1.3
135.04442	6.4
143.03429	0.8
161.02390	17.3
161.04393	2.8
162.02788	0.9
167.10770	2.1
173.04587	3.4
179.03450	5.3
185.11798	2.5
191.05576	8.2
203.05589	0.7
227.03593	1.5
228.03906	0.9
231.10281	1.4
255.03096	1.4
256.03406	1.2
257.03683	1.6
257.08316	1.0
275.09427	2.2
284.03418	0.5
285.03891	1.5
286.04056	2.1
287.04593	0.5
316.02518	0.7
323.07837	4.1
329.16141	6.7
347.17166	7.6
348.17496	0.6
389.18323	6.3
390.18793	0.6
449.10278	7.3
449.16031	0.9
449.24332	0.7
450.10645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65698	0.5
57.03345	1.2
59.01266	100.0
60.01606	0.9
60.78971	0.5
60.99213	0.6
63.74266	0.5
65.00214	1.7
67.01766	1.2
69.03362	1.0
71.01276	8.2
72.99203	2.0
73.02840	11.7
74.02330	0.5
75.00767	41.7
76.01118	0.6
78.95824	1.5
83.01286	3.3
85.02863	2.4
87.00780	2.9
89.02339	2.9
93.03361	6.1
96.96880	1.0
97.37332	0.5
98.19774	1.3
99.00817	0.6
101.02353	9.7
107.01277	3.2
109.02936	1.0
110.33282	0.5
111.04472	1.3
113.02330	4.0
119.03457	1.5
125.02393	1.6
131.03435	0.9
133.02850	1.3
134.03677	1.8
135.04451	16.8
136.04872	0.5
137.02364	0.7
143.03485	0.8
145.02931	0.5
149.04521	1.1
149.09706	0.6
151.00317	20.8
151.01537	1.1
152.00664	1.1
155.03456	1.1
161.02435	2.1
161.04492	3.3
167.10771	1.5
173.04546	4.2
191.05586	3.9
221.06647	0.8
231.10362	1.6
233.09674	0.8
241.39159	0.5
275.09317	2.7
276.54572	0.5
287.05695	11.9
288.06094	1.6
302.03250	0.9
329.16217	1.2
347.17328	1.7
387.93790	0.6
389.18396	2.1
390.30048	0.6
400.07455	0.6
449.10165	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	449.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.9
58.00477	0.4
59.01267	100.0
60.01611	1.0
61.98718	0.8
62.95251	0.3
66.19635	0.3
67.01765	0.4
69.03343	0.5
69.57598	0.7
69.57999	1.8
71.01270	3.8
71.04964	0.3
71.46745	0.3
72.99217	0.6
73.02832	2.1
75.00763	0.4
81.03345	0.5
83.01283	0.9
85.02846	2.2
87.00777	1.0
89.02335	1.6
90.70126	0.3
93.03364	3.6
94.09071	0.3
95.01321	0.3
95.04936	0.4
97.02854	0.6
97.06473	0.4
98.19801	0.6
99.00779	0.5
99.04428	1.2
101.02349	3.2
104.02560	0.3
105.03329	0.3
109.02869	0.6
111.04412	0.9
113.02328	1.7
117.03392	0.4
119.03426	0.4
120.56266	0.3
121.02867	0.3
123.04482	0.3
125.02379	1.6
125.03134	0.3
127.07488	0.4
132.02075	0.6
133.02890	14.1
134.03612	1.0
135.04453	21.3
136.04781	1.0
137.02341	0.5
139.07599	1.1
157.08638	0.5
161.02397	49.1
162.02757	3.4
173.04518	1.2
174.04787	0.4
179.03461	13.3
180.03810	0.5
183.70554	0.3
185.11890	0.7
187.07639	1.0
191.05594	12.5
191.07347	0.6
192.05901	0.7
213.09189	0.5
231.10237	0.6
257.08188	1.2
269.14026	0.9
275.09274	1.0
323.07791	12.9
324.08234	1.5
329.16013	1.5
347.17230	1.8
348.17352	0.4
389.17944	0.9
389.22144	0.6
449.10852	13.1
449.20593	0.7
450.11319	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1514
Annotation	Suvorexant
Peak:m/z	Relative Intensity
58.21141	0.7
59.01267	10.5
61.98708	1.1
62.96294	24.9
65.21524	0.7
67.01781	1.0
69.03387	0.7
70.00491	0.6
71.01271	0.9
71.60116	0.6
74.37107	0.7
78.95795	62.9
80.97364	31.2
85.02824	1.0
87.00774	1.7
89.02330	1.2
93.03355	6.8
95.74780	0.6
99.04440	0.9
101.02345	0.7
104.36564	0.5
111.04421	0.9
113.02399	0.6
115.03878	0.6
126.19563	0.7
133.02882	0.9
134.03656	2.1
135.04425	1.7
137.02448	0.7
148.98836	0.8
149.00043	15.1
155.03479	0.7
161.02390	0.8
162.03154	1.0
173.04482	5.3
178.02660	1.0
179.01131	1.8
191.05612	4.5
205.15959	8.1
206.16135	0.9
215.07198	0.6
231.10286	1.3
242.98322	4.3
257.08179	0.8
259.93253	0.7
275.09308	3.6
280.64316	0.6
285.12778	2.3
355.16858	16.8
356.17355	2.2
385.17935	22.0
386.18295	2.2
449.15088	100.0
450.15427	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	449.1512
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01267	2.5
62.96298	23.5
70.34722	0.5
70.35120	0.5
71.01264	0.3
78.95798	54.6
80.97364	31.7
93.03349	1.2
96.96844	0.3
99.04410	0.3
131.00111	0.3
134.03702	0.4
149.00037	15.3
150.00352	0.4
151.01581	0.3
152.99518	0.4
161.37088	0.3
173.04533	0.7
179.01141	1.6
181.02626	0.3
191.05547	0.7
205.15956	5.8
206.16231	0.6
242.98341	4.9
262.41251	0.3
275.09372	0.4
285.12726	1.9
338.65573	0.2
355.16885	16.5
356.17172	1.8
385.17944	22.7
386.18314	2.3
400.99829	0.3
431.13953	0.3
449.15054	100.0
450.15408	11.7
467.61392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88618	0.5
55.01778	0.6
57.03337	1.4
59.01265	100.0
60.01599	1.1
65.00226	1.0
67.01785	1.8
69.03321	1.1
71.01268	14.0
71.08521	1.1
72.99192	1.8
73.02831	8.4
73.30468	0.6
75.00763	22.3
78.95797	5.7
81.03361	0.7
83.01269	3.3
83.09406	0.5
85.02831	5.9
87.00763	4.3
89.02343	5.7
93.03359	10.4
96.96880	4.4
97.02854	0.8
99.00809	1.4
99.04407	0.7
101.02354	10.2
107.01305	1.8
109.02920	0.7
111.00838	1.0
111.04434	1.5
113.02339	7.6
113.05994	1.0
118.98021	1.4
119.03427	1.8
125.02402	1.6
127.03979	0.8
129.01843	1.2
131.03421	0.7
133.02902	1.9
134.03680	2.0
135.04449	6.8
143.03427	1.6
149.04526	1.3
151.00294	9.2
155.03468	1.8
155.10730	0.9
161.02415	2.7
161.04526	4.3
162.03027	0.7
165.01895	0.7
167.10757	0.8
173.04503	7.1
174.04906	0.9
179.03552	1.0
183.34767	0.6
185.11816	8.0
187.07582	3.3
191.05588	25.9
192.06036	0.9
195.06544	0.7
199.09795	0.9
199.13501	1.0
207.04306	1.2
231.10368	2.0
233.09506	2.4
257.08179	3.2
258.08527	0.8
275.09332	5.5
276.09781	0.8
287.05634	8.8
329.16125	8.2
330.16730	0.9
347.17172	7.2
368.09329	0.7
389.18274	7.0
389.22449	0.7
390.18774	1.0
402.97922	0.6
449.14734	4.6
449.20566	6.2
450.15237	0.8
450.20697	0.8
469.22202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.3
59.00989	0.3
59.01263	3.1
60.99188	0.2
61.91997	0.1
67.01763	0.8
69.03336	0.4
69.86335	0.7
71.01266	1.3
73.02834	0.3
81.03338	0.4
82.20757	0.2
83.04930	0.4
85.02843	8.3
86.03174	0.2
87.00773	2.4
89.02350	0.4
92.10999	0.2
93.03363	5.5
98.13088	0.1
98.37596	0.1
99.00777	0.2
99.04414	0.4
101.02341	0.5
105.03392	0.3
109.02866	0.6
111.00784	0.5
111.04435	1.7
113.02349	0.5
117.03407	0.3
119.04983	0.3
125.02357	0.2
127.03925	1.9
129.01875	0.2
133.02896	0.6
134.03674	1.0
135.04439	0.5
137.02411	0.2
139.59869	0.1
143.03465	0.2
155.03436	0.6
155.10698	0.2
161.02359	0.4
161.04494	0.1
163.03944	0.2
171.02931	0.6
172.05252	1.0
173.00916	0.2
173.04510	3.9
173.05949	0.2
174.06860	0.4
175.07561	0.2
183.04503	0.3
187.07628	7.4
188.08031	0.5
191.05586	100.0
192.05920	4.4
199.03989	0.6
200.04764	0.3
202.06323	0.6
203.07169	0.2
203.10793	0.4
211.07611	0.3
213.09239	1.1
213.11041	0.2
214.09673	0.2
215.07149	1.5
216.07457	0.2
227.03549	0.9
228.04414	0.7
229.08681	0.7
231.10291	2.8
232.10612	0.2
233.06686	0.2
257.08237	10.9
258.08527	1.1
275.09323	7.3
276.09766	0.7
294.45850	0.2
330.47424	0.2
389.21912	0.4
449.14630	2.8
450.15091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36667	0.6
57.03334	1.4
57.45331	0.5
59.01264	5.4
60.99192	6.3
67.01777	13.3
69.03351	4.8
71.01271	6.3
71.04880	0.7
71.57006	1.0
73.02834	1.0
81.03340	2.7
83.04929	3.2
84.09416	0.6
85.02837	5.9
87.00778	20.4
88.01100	0.7
89.02324	1.5
93.03361	100.0
94.03696	2.9
97.06501	1.8
99.00778	1.4
99.04408	1.6
101.02348	1.7
105.03368	2.0
108.02061	1.3
109.02859	1.8
111.00788	1.9
111.04430	15.8
113.02360	1.6
115.03954	1.1
117.03370	1.1
121.02895	1.1
124.01589	1.8
125.02403	1.0
127.03957	1.8
129.01860	2.3
129.83522	0.6
132.02095	1.6
133.02893	13.7
134.03673	34.7
135.04471	26.3
137.02386	6.8
139.03931	2.1
143.03453	0.8
150.03160	1.7
151.03915	2.3
155.03465	5.1
160.01617	4.6
161.02420	1.5
162.03183	4.8
173.04515	60.2
174.04854	2.0
175.36760	0.6
177.01895	4.4
177.95787	0.6
178.02682	8.0
179.03447	4.5
180.04199	0.9
187.07573	0.6
191.05589	56.6
192.05919	3.6
202.06403	0.5
202.55550	0.6
231.10289	7.0
232.10649	0.7
257.08240	4.6
275.09317	25.2
276.09628	2.4
308.09207	5.9
351.07352	1.8
352.08020	9.0
353.08395	0.9
357.78360	0.6
449.14679	48.1
450.14941	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	449.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.1
57.03334	1.3
58.00465	0.9
59.01267	85.6
60.01610	1.1
60.99184	0.9
61.98724	4.4
67.01777	2.4
67.74447	0.3
69.03345	1.6
69.60005	1.1
69.60431	1.6
71.01273	28.6
72.01610	0.4
72.99215	1.2
73.02840	5.3
75.00789	0.8
81.03361	0.9
83.01286	2.4
83.04925	1.2
85.02849	16.5
87.00776	8.1
87.01279	0.6
89.02341	21.5
90.02641	0.4
93.03362	15.9
95.01295	1.8
97.02852	0.4
98.20539	0.7
99.00775	2.1
99.04440	0.7
101.02348	21.7
102.02676	0.5
109.02860	1.7
111.04431	4.8
113.02364	13.8
117.03349	0.4
119.03429	9.0
119.04937	1.2
122.23529	0.4
125.02368	1.2
127.03930	1.6
129.01878	1.4
129.05489	0.8
131.03404	1.2
133.02904	1.5
134.03680	1.4
135.04436	1.6
137.02400	0.8
143.03445	2.6
145.02905	1.3
146.03699	0.6
149.04509	0.7
149.05984	1.8
151.03886	0.5
155.03476	3.1
158.03696	1.0
159.02953	2.2
159.04451	2.7
161.02365	1.3
161.04507	17.0
162.04890	0.6
163.03981	1.7
170.79404	0.4
172.05280	2.5
173.04517	11.6
173.06041	3.9
174.04990	0.4
174.06743	1.5
175.07625	1.4
179.05568	4.7
179.06989	0.5
180.05969	0.4
183.04442	0.9
187.04135	1.7
187.07623	28.5
188.08005	1.9
189.05504	0.5
191.05589	100.0
192.05943	4.3
195.07954	0.4
198.06688	0.6
200.04745	1.7
201.05559	3.8
201.09192	0.8
202.06329	9.7
203.06775	0.4
203.10793	1.8
203.12514	0.3
204.04150	0.6
205.03479	0.9
209.15463	0.9
211.07713	0.6
213.09227	9.9
214.09569	0.9
215.07137	8.9
216.07770	1.1
225.14996	1.6
226.15324	1.8
227.03571	0.5
227.16582	5.4
228.04301	1.1
229.08704	4.4
230.09137	0.4
231.06799	3.9
231.10278	19.7
232.10593	1.5
257.08243	13.2
258.08643	0.8
275.09329	35.6
276.09671	3.4
388.20810	0.4
389.21924	51.9
390.22241	5.3
449.14783	10.7
449.24356	0.5
450.15070	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32996	0.3
57.03354	0.7
59.01265	49.5
60.01607	0.6
60.99195	0.4
61.98704	0.4
67.01783	1.2
69.03341	0.4
70.95422	0.7
71.01270	4.8
73.02841	1.6
77.03873	0.3
83.01289	0.9
83.04922	0.7
85.02851	3.4
87.00771	2.5
87.65913	0.3
89.02345	1.4
89.03867	0.3
89.65005	0.3
93.03364	7.1
95.00087	0.3
95.01286	0.4
97.02845	1.2
99.00813	0.7
99.04419	0.4
101.02346	2.9
105.03343	0.4
107.04893	0.4
109.02863	0.9
111.04422	1.9
113.02366	1.8
117.03372	0.6
119.03412	0.4
123.04426	0.4
125.02373	2.8
127.03962	0.6
129.01871	0.4
132.02100	1.2
133.02882	27.4
134.03604	1.8
135.04449	38.4
136.04768	2.0
137.02383	1.0
138.99870	0.3
139.07582	0.3
141.09167	0.3
145.02939	0.3
155.03459	0.4
159.04390	0.5
160.01654	0.3
161.02391	100.0
162.02722	4.9
163.03911	0.5
173.04504	2.6
173.05986	0.7
174.06778	0.4
178.02699	0.5
179.03464	31.1
180.03870	1.6
183.04527	0.4
185.11780	0.4
187.07610	3.2
189.05670	0.3
191.05588	30.8
192.05885	1.2
202.06342	0.7
203.03426	0.6
203.10765	0.4
213.09253	1.0
215.07126	0.6
221.04524	0.3
225.15025	0.6
231.10228	1.5
257.08252	4.1
269.13971	1.0
275.09302	3.9
323.07785	29.1
324.08145	2.2
329.16144	1.3
347.17279	1.7
389.17581	0.4
389.21902	0.9
449.10846	31.4
449.19577	3.1
450.11102	3.6
450.20700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	3.2
59.01266	61.9
67.01767	0.7
67.48915	0.6
69.03342	0.8
69.77023	2.9
71.01273	8.1
73.02846	3.0
76.64137	0.5
83.01287	1.6
83.08341	0.5
85.02847	4.3
87.00783	2.4
89.02354	2.1
93.03353	3.9
95.01324	0.6
97.02852	3.0
99.00791	1.1
99.04401	2.5
101.02339	5.8
107.04958	0.8
109.02856	0.8
111.04435	1.1
113.02356	2.3
117.02534	0.5
117.03368	1.2
119.03394	0.9
125.02365	6.2
127.03933	0.7
132.02052	1.0
133.02881	29.5
134.03761	2.9
135.04451	43.8
136.04796	2.4
137.02356	1.7
143.03479	0.9
147.04482	0.7
148.05392	0.5
149.06064	1.1
159.04402	0.6
160.01581	0.5
161.02390	100.0
162.02719	5.4
163.03918	0.6
173.04521	4.0
175.03986	1.2
177.05531	2.9
178.02696	1.0
179.03458	31.2
180.03822	2.0
184.68695	0.5
185.11795	2.1
185.13658	0.5
191.05586	20.2
191.53056	0.5
192.05923	1.1
202.79579	0.7
203.03410	1.6
221.04538	5.1
231.10208	1.3
251.05525	0.6
257.08289	2.0
263.05698	1.6
275.09283	2.1
280.05811	0.9
323.07788	44.7
324.08115	3.5
329.16122	2.8
347.17181	3.2
389.18149	3.8
413.14487	0.8
449.10944	79.7
449.20886	2.3
450.11240	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	449.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53981	0.3
55.01767	0.3
57.03345	1.4
59.01265	66.6
60.01611	0.5
60.99212	0.5
67.01762	1.5
69.03320	1.7
71.01270	9.3
71.01669	0.5
71.56910	0.4
71.57278	0.4
72.99216	0.7
73.02843	4.2
75.00770	0.9
78.95804	0.8
81.03371	1.1
83.01286	1.3
83.04908	1.0
85.02841	10.5
87.00764	5.2
89.02341	2.1
89.03873	0.3
93.03360	9.7
94.03690	0.4
95.01301	1.1
95.04942	0.4
97.02853	3.0
97.06501	0.4
99.00798	1.1
99.04425	1.2
101.02351	6.1
105.03368	0.8
107.04957	0.9
109.02878	1.3
111.00832	0.8
111.04449	1.5
113.02354	4.0
115.07584	0.7
117.03374	1.3
119.03439	0.9
119.04937	1.0
121.02867	0.6
123.04395	0.5
125.02365	6.1
127.03905	1.9
129.01871	0.6
132.02115	1.4
132.94214	0.3
133.02884	35.1
134.03618	3.1
135.04448	50.5
136.04767	2.7
137.02431	1.6
137.09651	0.4
139.03935	0.4
143.03487	0.6
145.02876	0.9
147.04466	0.6
148.05235	0.7
149.05997	1.7
151.00261	0.4
155.03468	0.6
159.03136	0.5
159.04459	1.0
160.01567	0.5
161.02390	100.0
162.02728	5.6
163.03983	1.0
167.10669	0.4
171.03004	0.8
172.05307	0.6
173.04510	5.2
173.06001	0.5
173.45860	0.4
175.03958	1.4
177.02011	0.5
177.05516	3.6
178.02637	0.5
179.03461	29.5
180.03795	1.6
185.11801	1.0
187.03995	0.4
187.07611	6.1
191.05582	84.1
192.05939	3.3
199.03999	0.7
199.09688	0.7
200.04735	0.4
201.05524	0.5
202.06407	0.4
203.03481	1.3
212.73438	0.4
213.09230	1.3
215.07076	1.2
220.03825	0.6
221.04553	4.2
227.03548	0.9
228.04187	0.5
231.10274	3.5
245.36049	0.3
249.06168	0.6
251.05598	0.8
257.08243	7.6
258.08609	0.7
263.05765	0.8
275.09326	4.6
276.09665	0.4
280.06024	0.9
316.02362	0.4
317.03156	0.4
323.07782	34.3
324.08115	3.1
329.16321	2.1
329.19730	0.5
329.73984	0.4
347.12952	0.5
347.17108	2.7
387.11417	0.4
389.17941	2.4
389.22586	0.6
413.14789	0.4
431.06921	0.3
431.13400	0.6
449.10901	56.8
450.11334	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	447.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.9
59.59539	0.3
70.72888	0.8
73.80696	0.2
78.95792	13.0
94.98961	0.3
104.97363	0.3
110.98441	9.4
115.74158	0.3
122.64184	0.3
128.17636	0.3
131.96387	0.3
133.17198	0.3
136.17363	0.3
137.00035	0.4
152.99480	1.3
167.01102	11.5
168.01410	0.4
170.64688	0.3
185.02185	3.4
261.22449	0.4
279.23340	100.0
280.23694	10.2
334.53741	0.3
405.22406	0.3
447.25253	24.2
448.25610	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15398	0.3
51.83902	0.2
55.91047	0.3
58.00510	0.3
59.01267	44.2
60.01604	1.5
61.01701	1.2
61.98719	100.0
71.01277	5.0
72.01617	0.5
72.99195	0.6
73.02833	1.6
75.00755	0.7
81.03320	0.3
82.61733	0.3
83.01290	0.6
85.02850	2.3
87.00772	1.0
89.02345	4.2
90.02698	0.2
91.02770	0.3
93.03371	0.6
95.01299	0.4
98.19762	0.7
99.00790	0.9
100.84187	0.3
101.02344	3.9
102.02688	0.6
111.04406	0.4
113.02354	1.9
114.02706	0.5
119.03405	1.1
125.02325	0.4
135.04453	0.5
137.02394	0.4
143.03375	0.5
155.03441	0.4
158.03625	0.4
159.02982	0.3
159.04404	1.0
161.02351	0.4
161.04532	2.5
162.04829	0.4
173.04533	0.6
173.05956	0.4
179.05589	1.4
180.05785	0.4
181.06047	0.6
182.06277	0.3
183.06531	0.3
187.07635	2.5
191.05556	2.9
202.06265	0.6
203.10680	0.5
229.35109	0.3
231.10136	0.7
269.10162	0.8
270.10428	1.0
275.09311	5.8
389.22073	1.4
401.14700	2.0
402.14893	4.5
403.14706	0.4
448.17422	0.8
449.13998	0.9
449.19650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51367	0.2
54.54494	0.2
57.91909	0.2
59.01267	5.5
71.01254	0.5
71.58278	0.2
71.58622	0.3
78.95806	3.4
85.02877	0.2
89.02350	0.3
99.04390	0.3
101.02333	0.3
105.62577	0.2
110.98443	3.2
119.03459	0.3
146.59215	0.2
152.99516	0.5
159.22876	0.3
162.89439	0.2
167.01175	1.2
185.02193	3.5
225.79597	0.2
261.22208	0.5
264.10913	0.2
279.23364	100.0
280.23706	11.2
294.74301	0.3
387.20279	0.3
447.25320	8.0
447.31604	0.5
448.25336	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97007	0.2
52.50357	0.2
56.28116	0.2
59.01249	0.5
66.04140	0.2
70.34227	0.9
71.01293	0.2
78.95798	8.2
94.98962	0.3
98.81595	0.2
104.97331	0.3
110.98441	5.9
117.68211	0.2
119.39600	0.2
137.00008	0.3
139.68956	0.2
152.99521	0.3
167.01105	6.2
185.02184	3.0
192.14594	0.2
261.22278	0.4
279.23343	100.0
280.23679	11.8
280.26816	0.4
447.25244	16.0
448.25555	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	447.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42448	0.3
56.79632	0.3
57.03338	2.8
59.01263	7.4
61.98713	0.3
62.82612	0.3
63.54568	0.3
69.03342	2.3
69.59025	1.1
69.59456	1.0
71.01253	1.5
71.04900	3.8
72.99196	0.4
73.02830	0.7
78.95789	0.6
81.03354	1.1
81.98815	0.3
83.01276	5.4
83.04894	1.8
85.02844	1.1
87.00775	0.3
87.50895	0.3
89.02343	0.4
93.03355	0.3
95.04955	0.3
96.95889	0.8
97.02860	2.2
97.06493	5.1
98.06824	0.3
99.00791	1.1
99.04418	100.0
100.04742	2.6
101.06001	0.6
107.04900	0.4
108.79172	0.2
109.06488	1.0
111.00793	0.4
111.04407	1.7
113.02386	1.3
113.06006	0.4
115.03920	3.1
119.04939	0.5
121.02869	3.8
121.06505	1.3
123.04420	0.6
123.08046	0.8
124.01513	0.4
125.02373	0.8
125.09627	0.4
133.02921	0.5
135.04425	0.4
135.08070	0.6
136.05301	0.4
137.02357	0.4
137.06050	1.3
137.09633	1.3
139.07555	0.3
145.02907	0.7
147.08119	0.3
149.04420	0.3
149.09622	2.0
151.07585	0.6
151.11198	0.7
152.99530	0.9
161.02385	1.0
161.09674	2.5
163.07574	1.1
165.09140	0.7
165.12761	0.3
175.11194	0.4
176.04218	0.3
177.09225	2.4
179.10721	0.4
185.37715	0.3
187.14944	0.3
189.12746	0.7
191.10796	0.7
203.14586	0.3
215.14420	0.3
217.12451	0.3
217.15955	3.2
219.17537	1.2
221.15488	4.1
225.14990	0.4
233.15523	2.0
235.13406	0.4
243.17589	0.6
245.15468	1.7
255.02798	0.3
257.19119	0.3
259.17072	3.9
259.20673	0.6
260.17560	0.4
261.18631	1.1
263.16522	1.8
267.17462	0.3
270.15793	0.3
271.02792	0.3
284.45389	0.3
285.18646	1.2
287.20300	0.4
300.02777	0.4
301.18546	0.3
301.21707	0.5
303.19727	5.6
304.20120	0.8
317.17517	1.0
319.22876	1.2
321.20779	1.0
329.17511	0.5
331.19345	1.8
347.18674	1.4
363.21811	0.3
365.19772	1.5
385.23843	0.5
387.20526	0.6
403.25012	7.1
404.25360	1.1
413.23410	0.8
429.22931	3.5
430.23578	0.6
447.10406	0.6
447.23938	25.1
448.24335	4.3
448.30685	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	447.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34280	0.4
55.01759	1.6
57.03334	0.5
59.00989	0.6
59.01260	5.7
59.92962	0.4
61.98707	1.4
66.76022	0.4
69.03345	3.5
71.01269	3.0
71.04907	31.1
71.57642	0.9
72.05249	0.9
74.91904	0.4
78.95794	27.4
83.04913	3.4
85.02825	1.3
85.74299	0.4
87.00762	0.7
89.02364	0.7
94.59290	0.4
96.96868	3.8
97.02878	0.7
97.06480	0.9
99.04419	21.0
100.04755	0.6
102.82004	0.5
109.06493	2.3
111.00787	4.2
113.02363	0.8
115.03923	100.0
116.04271	2.4
121.06551	0.9
123.08073	0.5
133.02858	1.4
150.97975	1.2
152.99527	53.9
153.99927	0.8
161.02353	2.6
171.00635	2.8
173.04562	0.6
202.96483	0.5
215.10773	0.5
285.18555	0.6
287.20227	1.4
291.19745	1.0
303.19702	5.3
305.21222	2.2
321.20865	1.6
332.57416	0.5
347.18881	0.6
359.22263	2.8
403.24991	7.9
404.25735	1.1
447.24054	68.6
448.24347	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25219	1.1
55.01768	2.1
55.13145	1.2
57.03327	1.3
58.35549	1.2
59.01266	71.3
61.04531	1.3
61.98710	4.3
66.82069	1.2
67.47473	1.3
69.03368	3.0
70.03053	5.4
71.01263	5.1
73.02841	1.6
75.49797	1.2
78.95789	8.7
83.04916	3.7
85.02856	4.1
89.02337	7.0
96.95924	2.1
97.06525	1.6
99.04417	69.7
100.04783	2.3
101.02362	4.3
105.87195	1.4
106.44845	1.3
113.02337	1.8
120.14302	1.3
123.08041	1.7
132.02605	1.4
133.02914	1.8
135.04475	2.1
135.11853	1.4
147.40665	1.4
150.08969	1.5
152.99536	12.2
153.09154	1.8
161.02376	5.5
161.04504	4.5
201.02559	1.8
255.02832	1.8
303.19733	26.2
304.20142	2.1
321.20831	4.4
347.28293	1.8
387.20340	4.7
390.64719	1.5
403.24994	58.5
404.25333	10.5
447.23993	100.0
448.24426	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	447.2398
Annotation	Ugaferin
Peak:m/z	Relative Intensity
51.24085	0.5
54.53775	0.5
55.01755	1.2
57.03323	1.6
58.70207	0.5
59.01268	7.6
59.98399	1.2
60.01579	1.3
61.01659	0.8
61.98713	3.5
69.03351	3.7
71.01276	0.5
71.04905	0.8
71.47930	0.9
73.02832	0.6
78.95789	3.7
83.04918	5.1
85.02840	2.1
97.02808	0.7
97.06475	0.8
99.04420	57.6
100.04739	1.5
104.83146	0.5
112.22398	0.5
113.02326	1.5
123.08076	1.1
133.10089	0.5
135.11714	2.2
140.56371	0.6
151.11235	1.0
152.99533	5.8
153.09132	1.3
175.85312	0.5
181.92209	0.5
237.14967	0.6
259.20779	1.4
285.18448	0.8
303.19736	27.0
304.19977	3.5
313.22699	0.6
321.20761	3.2
322.21185	0.6
325.92352	0.5
333.20734	0.5
339.58545	0.6
403.24988	66.8
404.25345	9.4
447.23987	100.0
448.24313	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	447.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52561	0.2
57.03358	0.4
58.00496	0.3
59.01268	100.0
60.01592	1.3
61.98724	0.8
69.62557	2.0
71.01273	9.4
72.99213	0.9
73.02845	0.9
75.00782	0.9
83.01284	0.6
85.02846	3.3
87.00787	0.9
88.98670	0.3
89.02343	10.0
93.03368	0.5
95.01310	0.9
96.95920	1.1
96.96877	0.5
99.00790	0.6
101.02352	4.6
107.04950	0.5
108.02083	0.8
109.02887	0.8
113.02355	5.2
114.02697	0.3
118.26691	0.3
119.03419	4.6
121.02902	1.5
125.02419	0.4
131.03452	0.6
135.04457	0.8
143.03448	1.4
149.04524	0.7
152.01155	0.9
154.07312	0.3
161.02414	0.5
161.04501	3.0
179.03786	0.4
179.05580	6.3
180.05878	0.3
189.12932	0.4
191.05611	1.6
197.04573	1.8
225.14963	0.6
245.50591	0.3
249.06181	1.9
250.06480	0.4
267.07275	2.7
387.20367	5.6
388.20804	0.8
401.14850	1.2
429.10568	1.1
432.24393	0.3
447.11469	3.2
447.22678	0.6
448.12042	0.5
448.17923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03319	1.7
59.01267	3.7
59.98398	0.5
61.54812	0.5
61.98714	0.7
66.97292	0.4
69.03345	3.6
69.49112	3.8
71.01254	1.0
71.04903	1.4
78.95793	7.8
81.03342	0.5
83.04910	4.9
85.02839	2.0
87.44716	0.5
88.20593	0.4
92.01135	0.4
96.96851	0.9
97.02862	1.2
97.06511	1.0
99.04417	62.3
100.04739	2.1
109.06438	0.5
113.02367	1.5
115.03927	2.9
117.03392	1.1
119.04932	4.4
121.06541	2.3
123.08073	1.4
133.02838	0.8
133.10219	0.5
135.04431	0.7
135.08052	0.6
135.11743	1.0
145.02899	7.7
149.09598	0.5
151.11200	1.1
152.99522	12.2
153.09181	1.4
161.02373	2.2
163.03922	3.2
163.11115	0.5
177.09172	0.4
179.30243	0.5
221.19072	0.5
233.15448	1.4
237.15057	0.6
250.39563	0.4
259.20679	0.6
283.19156	0.9
285.18646	0.9
287.20261	1.2
300.02777	0.5
301.20361	1.5
303.19727	24.9
304.19983	2.9
321.20703	3.4
356.46460	0.5
365.19766	0.6
385.24258	0.8
403.24973	52.1
404.25342	8.9
447.23993	100.0
448.24292	18.4
448.30499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91517	0.8
56.65888	0.8
57.03339	2.0
59.01255	5.3
59.98405	3.0
60.66704	0.9
60.99184	1.3
62.37045	0.8
64.63235	0.9
64.77385	0.8
68.99697	2.8
69.03362	5.1
70.33601	3.3
71.01270	1.6
71.04911	2.1
72.99191	1.2
78.95792	2.9
83.04916	4.5
85.02847	2.1
87.18015	0.9
96.95899	2.3
97.02850	21.3
97.06500	2.3
99.04422	100.0
100.04749	2.2
107.04963	1.1
109.06500	2.0
111.08058	0.9
113.45575	0.9
115.03905	1.0
119.51419	0.9
121.06517	26.8
122.06877	1.1
123.08076	5.1
124.01569	2.7
133.02849	5.4
134.03651	1.5
135.04485	6.7
135.08116	4.4
137.09686	2.7
139.11263	1.0
147.08073	1.6
149.09627	1.4
152.98480	0.9
152.99533	4.7
153.09090	1.1
159.08107	1.0
159.57103	0.8
161.02397	25.0
162.02647	0.9
165.09143	2.0
179.03442	3.6
191.05643	1.0
208.04001	1.0
243.17548	2.2
255.13786	1.1
257.19119	1.1
259.17075	1.0
259.20776	1.2
271.17084	3.3
273.18677	2.7
279.23373	3.3
285.18417	5.1
291.19669	6.2
301.18097	1.1
303.19745	33.5
304.20081	4.1
373.23804	1.4
385.24515	1.3
386.47324	0.8
403.25021	8.8
429.23038	1.7
447.24005	86.1
448.24319	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	447.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	4.7
55.42996	0.2
56.99703	0.2
57.03336	4.3
58.00479	3.7
58.03674	0.2
59.01266	100.0
60.01605	1.1
61.43152	0.2
67.01790	0.4
68.99701	0.3
69.03343	2.3
70.43209	0.6
71.01271	90.1
72.01613	1.4
72.99200	4.2
73.02836	19.9
73.71695	0.2
74.03178	0.2
75.00756	1.1
81.03358	1.4
81.39344	0.2
83.01279	10.9
84.02074	0.6
85.02845	29.1
85.99999	0.7
86.03183	0.7
87.00774	5.3
87.04405	0.2
89.02340	53.6
90.02653	0.9
93.03375	0.3
95.01287	3.9
97.02853	4.0
99.00784	8.9
99.04411	0.3
101.02348	52.9
102.02703	1.2
103.00317	0.2
109.02857	0.3
111.00793	4.8
111.04388	0.2
113.02359	22.8
114.02705	0.7
115.03914	1.5
119.03426	4.7
120.84449	0.2
121.02853	0.3
125.02376	6.2
127.03928	0.4
128.01042	0.3
129.01897	1.4
131.03430	26.9
132.03741	0.7
132.62450	0.2
137.02380	0.5
139.03967	0.2
141.01872	0.5
143.03442	4.2
145.90843	0.2
149.04497	18.5
150.04875	0.6
155.03436	0.3
159.02939	3.8
161.04504	28.7
162.04854	1.0
173.04553	0.5
179.05586	0.9
187.06125	0.3
191.05586	6.7
192.06033	0.2
197.04578	0.3
201.14954	0.4
205.03484	1.0
211.13608	0.2
215.05664	0.9
219.13907	0.3
227.03537	0.2
233.06699	3.8
234.06979	0.2
243.19746	1.0
255.02946	0.5
271.02551	0.7
283.02606	0.2
284.03137	0.5
285.03726	0.3
293.08878	2.2
297.17108	0.4
299.01926	0.6
300.02478	0.4
315.18195	24.4
316.18558	2.7
345.18970	0.9
359.17145	0.2
363.20297	2.1
387.19556	0.4
387.24048	3.6
388.24203	0.4
405.25024	3.8
406.25159	0.6
447.22443	53.5
448.22791	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	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30543	0.3
55.01771	3.3
57.03345	2.0
58.00485	3.7
59.01266	100.0
60.01599	1.1
60.99177	0.3
69.03342	1.3
70.51773	1.1
71.01271	76.1
71.38362	0.3
72.01611	0.8
72.99198	4.6
73.02836	17.6
73.61549	0.3
74.03151	0.4
75.00767	0.7
81.03349	0.6
83.01279	5.1
83.87500	0.3
85.02845	17.3
87.00775	4.9
89.02339	92.6
90.02647	1.5
95.01286	3.8
97.02833	2.7
99.00783	17.4
99.04414	0.7
100.01136	0.4
101.02348	52.5
102.02679	1.0
103.92130	0.3
111.00812	0.6
113.02361	27.3
114.02705	0.8
115.03938	1.7
117.57135	0.3
119.03421	26.9
120.03743	0.6
125.02368	4.8
127.03871	0.4
129.01814	0.4
131.03432	12.6
132.03749	0.3
133.55214	0.3
143.03450	6.9
149.04497	31.2
150.04875	1.0
159.02928	1.3
161.02356	0.9
161.04507	15.1
162.04881	0.5
179.05573	12.2
180.05925	0.4
191.05576	8.3
221.06625	1.0
233.06691	3.0
251.07841	2.0
293.08923	1.2
299.02081	0.3
311.09964	0.4
315.18201	20.4
316.18576	1.9
447.22443	69.4
448.22824	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54022	0.2
55.01256	0.2
55.01773	0.9
57.03328	0.7
58.00483	3.4
59.01265	85.0
59.53952	0.2
60.01606	0.8
69.03338	1.0
69.63809	1.8
71.01270	57.3
72.01614	0.8
72.99196	2.6
73.02836	18.3
74.03190	0.3
75.00775	0.3
81.03338	0.3
83.01273	2.1
85.02848	6.7
85.03369	0.5
85.96549	0.2
87.00774	2.0
89.02337	100.0
90.02673	1.9
95.01281	1.7
97.02857	1.8
99.00779	28.0
99.04448	0.5
100.01133	0.8
101.02346	39.0
102.02679	0.8
111.00773	0.5
113.02356	12.9
114.02665	0.5
115.03952	1.2
115.09845	0.2
119.03416	12.3
120.23112	0.2
125.02357	5.1
126.02705	0.3
131.03426	19.3
132.03783	0.4
143.03444	3.1
149.04495	65.4
150.04852	1.9
161.02408	0.3
161.04498	4.2
161.92491	0.2
162.48282	0.2
179.05585	4.9
191.05583	15.6
192.05936	0.6
221.06677	2.9
233.06720	0.7
251.07756	5.9
252.08073	0.3
275.07953	0.3
293.08850	0.8
311.09921	0.4
315.18274	0.9
447.22437	23.6
448.22696	3.3
459.50131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.3
59.01267	100.0
60.01612	1.3
70.71873	0.2
71.01275	4.5
72.99199	0.2
73.02847	0.8
73.43803	0.2
85.02832	1.1
87.00812	0.3
89.02344	6.5
90.15073	0.2
95.01304	0.3
101.02354	3.2
101.76656	0.2
113.02364	2.7
116.21573	0.2
119.03419	3.3
125.02404	0.2
131.03429	0.3
143.03448	1.0
149.04535	0.5
159.02986	0.2
161.04498	4.5
179.05582	2.3
189.12834	1.6
191.05618	0.3
207.13960	0.8
304.13474	0.2
387.20364	6.8
388.20770	0.9
435.79010	0.2
447.22531	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55537	0.3
57.45425	0.4
59.01265	100.0
60.01602	1.0
71.01274	4.6
71.27322	0.6
71.27660	0.5
72.99189	0.4
73.02836	0.4
76.04859	0.3
83.01299	0.5
85.02853	1.1
87.00782	0.5
89.02335	5.7
93.04375	0.3
95.01305	0.4
101.02349	3.4
103.05171	0.3
107.99676	0.4
108.02113	0.4
113.02353	2.4
119.03421	3.4
131.03407	0.4
143.03448	0.9
149.04535	0.4
152.01079	0.5
161.04533	3.2
177.00755	0.4
179.05595	1.9
189.12903	1.3
191.05672	0.3
207.14014	0.5
257.15503	0.4
312.20456	0.4
312.39536	0.4
387.20251	5.4
388.20673	0.9
447.22552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66364	0.3
55.01773	2.4
57.03346	2.2
58.00481	4.1
59.01265	100.0
60.01597	1.2
62.49363	0.3
67.29910	0.3
69.03338	1.1
71.01271	70.7
72.01615	0.9
72.99195	4.5
73.02838	19.6
75.00762	1.0
81.03351	0.7
83.01276	4.0
83.75661	0.3
85.02848	13.6
86.03205	0.3
87.00781	2.7
89.02339	94.7
90.02676	1.7
93.03330	0.4
93.61686	0.3
95.01286	3.3
97.02847	1.9
98.19788	0.9
99.00782	19.3
99.04395	0.7
100.01092	0.5
101.02351	47.4
102.02694	1.2
111.00803	0.7
113.02362	22.3
114.02682	0.7
115.03925	1.8
119.03426	22.0
120.03752	0.5
122.94258	0.3
125.02374	5.2
131.03430	15.4
132.03752	0.5
133.04614	0.3
143.03438	5.6
149.04500	38.0
150.04813	1.0
161.04512	5.7
179.04373	0.4
179.05583	9.4
191.05588	11.7
192.05890	0.8
221.06651	1.2
227.03568	0.3
233.06696	3.2
251.07724	1.6
262.05212	0.3
293.08789	1.3
315.18167	5.6
316.18481	0.7
409.69785	0.3
447.22446	58.9
448.22791	7.9
463.58786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	4.2
57.03051	0.2
57.03338	4.6
58.00486	3.6
59.01267	100.0
60.01606	1.0
67.01796	0.3
68.99709	0.4
69.03345	2.6
69.68947	0.1
71.01273	99.0
71.59566	0.3
72.01609	1.7
72.99202	5.2
73.02837	22.5
74.03173	0.3
74.80872	0.2
75.00773	1.4
81.03354	1.5
83.01280	12.2
83.04918	0.2
84.01610	0.3
84.02067	0.6
85.02847	32.6
85.99981	0.9
86.03177	0.8
87.00772	5.8
87.04432	0.2
89.02341	59.7
90.02677	1.1
93.03359	0.3
95.01289	5.1
96.01596	0.1
96.95942	0.2
97.02856	4.2
99.00785	10.9
99.04419	0.7
100.01105	0.2
101.02351	61.5
102.02688	1.3
103.03928	0.3
109.02859	0.3
111.00794	5.4
111.04438	0.3
112.01066	0.2
113.02360	28.8
114.02678	0.7
115.03933	1.3
116.63974	0.1
119.03418	4.7
123.00774	0.1
125.02374	7.2
126.02688	0.3
127.03932	0.6
128.01033	0.3
129.01868	1.4
131.03432	32.0
132.03786	1.0
133.02910	0.3
137.02367	0.5
139.03938	0.2
141.01878	0.4
143.03432	4.8
149.04500	21.4
150.04904	0.4
159.02951	4.2
160.03203	0.2
161.04506	33.0
162.04852	1.2
167.03419	0.2
173.04486	0.3
175.05988	0.1
179.05563	0.8
182.54910	0.1
183.04333	0.1
183.13889	0.4
187.06085	0.3
191.05586	7.0
192.05884	0.3
201.14944	0.6
203.05547	0.3
205.03517	1.2
211.13403	0.4
215.05646	1.2
219.13850	0.3
227.03618	0.4
228.03711	0.2
233.06712	4.4
237.14984	0.3
243.19624	0.9
255.02989	0.3
256.03345	0.2
271.02414	0.3
272.02844	0.2
283.02710	0.2
284.03204	0.4
285.03644	0.3
291.07370	0.2
293.08878	2.6
294.09222	0.3
297.17139	0.5
299.02112	0.7
300.02444	0.5
315.18201	29.0
316.15033	0.2
316.18521	2.9
345.19138	0.9
359.17184	0.3
363.20303	1.6
364.20813	0.3
387.24020	3.8
388.24371	0.4
405.25076	2.8
406.25146	0.2
447.22443	61.2
448.22784	9.0
460.76770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
58.00481	0.3
59.01265	100.0
60.01596	1.1
61.97399	0.2
61.98701	0.2
62.12923	0.2
62.64821	0.2
69.52644	1.1
69.53069	0.6
71.01271	4.2
72.99191	0.2
73.02829	1.5
75.54433	0.2
78.95852	0.2
83.01286	0.6
85.02865	1.7
87.00792	0.5
89.02338	3.2
91.01778	1.1
93.03340	0.3
96.95921	0.7
97.02839	0.4
99.00776	1.1
99.04427	0.2
99.46098	0.2
101.02347	3.4
102.33546	0.2
108.02098	1.0
109.02901	0.6
113.02364	1.7
115.03964	0.5
119.03417	0.8
123.00790	0.5
131.03407	0.4
133.02855	0.3
135.00845	1.0
135.04477	0.5
137.02374	0.2
143.03447	0.4
149.04504	0.8
152.01132	1.6
153.01863	0.6
161.02396	1.1
161.04485	1.4
179.03465	0.4
179.05675	0.2
191.05623	1.7
201.43617	0.2
211.61783	0.2
221.06610	0.2
243.06650	7.1
244.07118	0.5
271.02454	0.3
299.02139	0.7
323.28369	0.2
327.18369	0.4
335.87396	0.2
345.19260	4.7
346.19708	0.5
387.20291	1.2
447.09674	0.3
447.21844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94947	0.2
57.03340	0.4
59.01265	3.2
61.98711	1.8
62.90219	0.2
62.96291	0.3
64.84946	0.2
69.03349	0.5
70.08582	0.4
70.08971	0.3
71.01282	0.5
71.04909	1.7
73.02843	0.2
78.95795	50.2
81.03350	0.6
83.04932	0.8
85.02847	0.3
87.00768	0.2
93.07409	0.2
96.95895	0.4
96.96864	6.7
97.02879	0.2
99.04420	10.3
100.04782	0.2
101.02363	0.3
101.05946	0.2
113.02364	0.3
113.09610	0.2
115.03925	4.6
129.01955	0.2
133.02872	0.3
135.04427	0.2
150.97955	1.5
152.99527	100.0
153.99861	1.7
161.02406	0.4
171.00598	4.5
171.02054	0.2
226.05997	0.2
233.15308	0.3
245.15613	0.3
279.23157	0.3
287.20218	0.4
293.21298	0.8
297.62918	0.3
303.19778	2.4
321.20746	1.1
347.18500	0.2
365.19733	0.3
387.20761	0.3
403.20206	0.3
403.25015	4.0
404.25208	0.6
428.18988	0.2
429.22632	0.4
447.22458	13.1
448.23474	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61420	0.2
58.60813	0.2
59.01264	2.1
61.27581	0.2
61.98717	0.5
62.96281	0.2
63.94674	0.2
66.75094	0.2
69.03345	4.6
69.27809	1.1
69.28236	1.0
71.01265	1.0
71.04903	0.2
78.95794	53.2
83.04914	0.2
85.02843	1.0
93.03350	0.4
96.96859	6.1
98.00000	0.3
99.04417	1.9
101.02300	0.2
106.83292	0.2
113.02356	39.2
114.02691	1.1
115.03914	0.6
133.02818	0.2
137.02380	0.4
142.54434	0.2
149.00052	0.2
150.97942	1.7
152.99524	100.0
153.99855	1.7
171.00600	4.6
191.05609	0.3
272.88153	0.2
293.21347	0.4
447.14111	0.5
447.21506	13.7
448.21939	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39640	1.0
57.03341	7.6
59.01267	30.3
64.93768	1.0
65.03849	1.4
67.01770	4.9
67.05420	8.1
68.99701	3.8
69.03336	5.6
69.23814	5.1
69.24241	5.6
71.01271	23.1
71.04898	1.2
72.99213	1.9
73.02852	1.4
75.00788	1.4
76.65379	1.5
78.95805	10.9
79.14780	1.2
83.01275	2.9
83.04874	1.5
85.02845	29.8
85.99970	1.3
87.00777	10.9
88.98698	5.4
89.02325	4.1
91.03930	1.8
91.21975	1.0
93.03347	6.9
95.01291	6.4
95.04909	1.0
96.95908	1.1
96.96871	12.0
98.95487	1.0
99.92504	1.7
101.02375	1.8
103.00271	1.6
111.00813	5.5
111.04429	48.7
112.04732	1.3
113.02361	36.9
115.91978	3.6
116.92773	13.6
119.04900	1.6
121.10149	12.7
125.05970	2.2
129.01874	3.1
135.04440	1.4
139.00279	2.6
151.00291	1.8
157.01349	2.6
165.09171	8.3
173.04532	2.6
183.10233	23.2
184.10565	1.7
191.05614	14.3
193.04958	1.3
197.02768	1.8
205.07178	8.3
207.04245	1.2
227.03517	2.7
233.09457	4.0
249.06377	5.8
252.45261	1.1
255.03061	5.1
257.04492	1.0
263.07806	29.0
264.08170	1.6
281.08844	69.8
282.09122	5.1
284.03452	7.5
285.04044	6.1
332.51593	1.1
361.05774	1.2
375.12900	4.3
415.86523	1.1
429.17612	6.9
447.10016	10.6
447.18793	100.0
448.19052	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	447.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10370	0.5
57.03332	0.7
59.01266	100.0
60.01601	1.2
70.79257	1.1
70.79670	1.2
71.01270	8.6
72.99227	0.5
73.02832	3.1
78.95796	2.5
83.01306	1.6
85.02850	3.5
89.02357	2.2
93.03355	0.7
95.01311	1.0
96.95923	5.3
96.96851	4.7
98.02406	1.6
99.00803	1.3
99.04423	0.6
101.02349	4.6
113.02367	4.2
119.03416	0.6
123.08109	1.4
125.02433	1.0
138.06766	0.7
152.01028	0.7
153.09206	1.6
159.02975	0.7
161.04526	5.0
165.09172	1.7
173.04515	0.7
183.10289	1.4
191.05661	2.0
199.09821	0.8
203.05659	2.0
223.01436	0.6
225.14896	0.7
249.06731	0.7
249.09135	1.2
267.07306	1.5
287.61655	0.7
327.14526	3.3
345.15738	6.8
346.16113	1.4
387.16632	11.6
388.17053	1.3
393.21060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.2
59.01265	100.0
60.01599	1.2
62.38868	0.2
64.43452	0.2
69.03349	0.3
71.01270	5.6
72.99198	1.8
73.02837	10.5
74.03155	0.3
75.00777	0.7
78.95802	0.8
83.01283	1.8
85.02846	1.3
87.00780	0.7
89.02331	1.2
93.03361	0.6
96.95922	0.5
96.96850	0.7
97.06512	0.3
99.04440	0.4
101.02342	5.9
108.02068	0.3
109.02892	0.4
113.02358	2.8
115.03883	0.3
116.05019	0.2
117.01830	0.2
118.12077	0.2
119.03440	0.9
125.02341	0.4
129.01866	0.5
131.03426	0.4
133.02910	0.5
133.73366	0.2
134.03645	0.4
135.04391	0.3
141.01883	0.2
143.03416	0.8
145.02858	0.2
149.04536	1.1
151.00325	0.7
152.01068	0.5
155.03375	0.4
161.02339	0.3
161.04521	2.2
173.04533	0.6
175.03944	0.3
179.05624	0.3
183.10182	1.2
186.05597	0.4
191.05589	2.4
192.05922	0.2
193.05006	0.3
199.04004	0.6
203.03539	0.2
203.05447	0.3
204.06635	0.8
215.03413	0.3
221.06606	0.3
227.03455	1.2
229.08788	0.5
242.02225	1.3
243.00488	0.4
243.03004	7.2
244.03397	0.5
255.03093	1.1
257.04599	1.9
270.01764	1.5
271.02527	7.4
272.02875	0.6
284.03485	0.5
285.04102	5.3
286.04721	1.6
298.98868	0.3
299.01993	1.6
300.02768	2.5
301.03491	0.7
314.04425	8.1
315.04950	2.1
331.17688	0.3
333.74402	0.3
353.06308	0.3
383.14633	0.2
387.16513	0.4
447.09357	16.0
447.22021	0.5
448.09772	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	447.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	15.1
59.37256	0.3
61.98712	0.7
69.70301	1.3
69.70712	0.9
71.01280	1.9
74.00934	0.3
78.95792	7.4
79.27393	0.3
79.95632	2.3
85.02836	0.8
89.02323	1.6
95.01254	0.5
96.95912	100.0
96.96830	16.9
97.02858	1.1
97.93037	0.4
99.00771	0.4
99.04398	0.4
101.02351	1.0
113.02392	0.9
114.93285	0.4
115.03922	0.8
119.03447	0.5
127.07552	0.9
152.01003	0.5
161.04427	0.7
179.05563	0.5
180.98497	0.4
191.05612	1.1
215.01894	0.4
224.97559	0.7
243.19682	1.2
244.08463	0.4
287.01852	0.4
297.69028	0.4
331.19199	0.8
349.20346	0.7
387.20154	0.9
405.24753	1.7
406.80994	0.4
447.10016	0.9
447.17621	0.6
447.25815	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	447.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.9
60.44731	0.1
61.98707	0.2
62.96285	1.2
65.34975	0.1
71.01263	0.4
74.16792	0.1
78.24860	0.1
78.95796	39.7
85.02848	0.2
89.02328	0.2
96.96869	2.9
99.04424	0.6
101.02371	0.3
113.02333	0.2
119.03420	0.2
134.03650	0.3
135.04407	0.2
149.00037	19.4
150.00386	0.6
151.01576	0.3
152.99550	2.7
158.92476	1.5
161.02417	0.1
161.04475	0.2
162.03133	0.2
179.01122	2.6
205.15976	1.5
218.03693	0.1
225.14731	0.2
227.03502	0.2
236.81226	0.1
240.96686	0.4
241.84636	0.1
255.03050	0.5
266.17419	0.1
267.11722	0.4
275.09277	0.4
283.02545	0.8
284.02994	0.3
309.52280	0.1
333.06845	0.1
347.08151	0.6
387.20236	0.3
417.12665	0.7
431.10403	2.3
432.10980	0.4
447.13522	100.0
448.13879	12.7
448.20480	0.2
464.10101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19952	0.3
59.01267	11.5
60.22706	0.3
61.98704	0.4
62.96302	1.3
66.63472	0.2
71.01270	1.2
78.95796	41.3
85.02835	0.5
89.02339	0.6
93.70121	0.3
96.96863	2.5
97.06488	0.6
99.03796	0.4
99.04422	3.6
101.02331	0.4
113.02326	0.5
137.41063	0.3
149.00038	19.1
150.00377	0.4
152.99525	3.9
153.09116	0.3
158.92499	1.5
161.04555	0.6
169.77873	0.3
179.01099	2.8
191.05658	0.4
205.15970	1.6
225.14987	0.5
227.03513	0.3
283.02713	0.4
284.03174	0.6
287.16705	0.3
321.20865	0.4
347.08365	0.5
361.20273	0.3
382.90106	0.3
387.20361	0.9
399.75482	0.3
403.24973	0.6
417.12543	0.7
431.10458	2.4
432.11133	0.4
447.13531	100.0
448.07629	0.6
448.13907	12.5
464.10324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86335	0.2
56.29396	0.2
59.01268	5.2
61.05264	0.2
65.00203	0.6
65.61533	0.2
71.01273	0.4
71.58497	0.3
73.05347	0.2
75.00801	0.2
80.02556	0.5
81.03376	0.2
81.44745	0.1
84.96462	0.1
85.02853	0.4
87.00813	0.2
89.02343	0.3
91.01796	13.3
92.02140	0.3
93.03337	0.8
95.01283	0.7
101.02348	0.6
107.01299	0.4
107.04929	0.4
108.02083	17.4
109.02912	2.9
121.02862	0.7
123.00809	5.7
124.01588	0.6
125.02339	0.2
135.00816	13.2
136.01158	0.3
137.02383	4.7
149.02377	0.5
151.00322	0.3
152.01100	18.3
153.01552	0.6
161.04471	0.4
169.06602	0.3
191.05571	0.9
197.06110	1.2
198.06459	0.2
199.07646	0.4
213.05569	1.2
215.07117	0.9
225.05563	0.3
230.38774	0.2
241.05220	0.2
243.06662	100.0
244.06996	8.6
300.03021	0.3
387.10886	0.8
387.20300	0.3
405.12003	0.3
447.13025	5.0
447.25995	0.6
448.13495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1307
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02284	0.6
51.43604	0.4
55.01756	0.9
59.01265	14.1
67.01793	0.5
68.99703	0.9
69.03342	88.7
70.03677	1.3
71.01279	1.1
73.08405	0.4
79.01779	20.7
81.03353	4.0
81.47546	0.4
83.01282	1.0
85.02857	2.1
85.20374	0.5
87.00806	0.5
89.02345	2.6
90.86864	0.5
93.03336	0.5
95.01281	8.8
96.01619	0.5
97.02853	50.3
98.03202	1.4
98.19812	1.6
101.02328	0.9
104.26126	0.5
107.01295	67.1
108.02112	14.8
109.02909	3.9
113.02368	0.9
116.54322	0.4
117.03416	0.6
121.02866	3.4
122.03730	0.6
123.00798	15.9
123.01673	1.0
124.01143	0.7
124.76183	0.5
125.02369	100.0
126.02724	2.7
133.02873	2.3
134.03685	0.6
135.00812	51.2
135.04436	1.2
136.01514	3.8
137.02419	2.6
145.02878	0.8
147.04498	0.7
149.02406	1.9
149.16873	0.5
151.00313	88.5
152.01109	31.9
153.01904	6.7
161.02463	0.9
163.03963	5.6
165.01904	0.7
177.01898	10.0
178.02232	0.9
179.03415	0.5
179.46376	0.5
197.06070	2.1
198.06874	0.9
205.05243	0.5
207.02969	0.8
225.05603	1.5
242.05878	98.8
243.06613	56.0
243.09320	0.8
244.07019	4.8
255.06656	0.6
285.07758	3.3
297.07712	0.8
326.14789	0.5
339.07291	5.6
340.07611	0.7
387.11142	3.2
399.99469	0.5
418.00049	0.5
447.13074	44.8
448.13412	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	3.4
70.76941	0.5
70.77275	0.9
71.01274	5.8
72.99203	0.6
73.02843	1.5
75.00735	0.5
77.49838	0.4
78.95792	1.2
83.01247	0.7
84.63258	0.4
85.02858	2.8
89.02341	1.3
93.03328	0.4
95.01295	0.7
99.00752	2.2
101.02351	2.1
104.03471	0.5
104.94041	0.4
105.01845	16.1
108.02081	43.0
109.02887	18.4
110.03186	0.8
113.02377	2.0
123.00809	1.0
123.04453	0.7
135.04420	0.6
151.03987	1.5
152.01097	72.2
153.01898	10.5
154.02156	0.5
161.04485	1.3
163.03937	2.5
177.01924	0.7
179.03383	0.4
191.05609	0.8
200.17285	0.4
267.10046	2.0
271.08301	0.7
315.07422	1.6
447.11545	100.0
448.05722	0.7
448.11960	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.4
57.35844	0.2
59.01268	2.7
59.82202	0.2
69.03326	0.2
71.01276	4.6
71.30497	0.6
71.89821	0.2
72.60470	0.2
72.99209	0.3
73.02837	1.5
73.03195	0.2
81.03296	0.2
83.01270	0.5
85.02841	2.8
89.02349	1.1
95.01303	1.0
99.00774	1.8
101.02351	2.1
108.02081	35.9
109.02904	9.1
113.02354	1.7
121.02864	0.4
123.00812	0.8
123.04457	0.5
125.02361	0.3
133.02849	0.2
134.03676	0.4
135.04413	0.4
145.37952	0.2
151.03946	1.4
152.01094	65.1
153.01834	3.9
159.02950	0.4
161.04523	1.6
163.03969	2.4
177.01904	0.4
179.03461	0.3
207.02998	0.6
271.08368	0.6
315.07349	1.2
322.34891	0.3
403.12570	0.5
447.11542	100.0
448.11896	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0942
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03313	0.6
59.01266	11.2
67.01807	0.3
67.84438	0.4
69.03343	0.5
69.42850	2.6
69.43261	0.5
73.02811	0.4
75.00745	0.7
78.95789	3.8
83.01276	0.5
85.02839	2.4
87.00774	0.9
89.02361	0.8
93.03353	1.5
95.01279	0.5
96.96864	3.6
101.02330	0.6
107.01297	0.6
109.02859	0.4
113.02345	2.7
119.08118	0.3
125.02333	1.0
151.00288	2.1
152.01112	0.8
153.01793	0.4
158.88837	0.3
161.04456	0.6
163.00330	0.8
173.04581	0.9
174.03337	0.4
175.03944	0.6
178.99857	0.5
183.04463	1.0
183.10266	2.3
185.06105	0.4
187.03947	0.5
189.05659	0.4
191.05582	6.9
201.09218	0.3
205.07190	0.8
211.04018	1.3
213.05443	0.5
223.95256	0.3
227.03505	59.1
228.03883	5.8
229.05005	2.1
229.08746	0.6
230.05356	0.5
233.09503	2.7
239.03572	0.6
241.05113	0.7
243.12363	0.9
249.06140	1.3
249.08693	0.5
255.03032	78.6
256.03580	13.3
257.04419	1.5
263.07794	0.7
267.07214	2.1
273.07770	0.9
281.08817	1.8
284.03339	65.2
285.04037	28.2
286.04462	2.0
327.05103	1.2
387.20395	0.9
447.09424	100.0
447.18259	6.9
448.09726	15.0
448.16525	0.5
448.18900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81114	1.1
58.56074	1.1
59.01266	38.6
71.01271	13.5
71.57089	1.2
73.02847	6.4
83.01328	1.7
85.02844	5.4
87.00763	1.6
88.17673	1.0
89.02332	5.4
93.03369	1.1
99.00774	1.7
101.02346	11.4
111.00737	0.9
113.02374	5.3
131.03447	1.0
133.02902	1.6
134.03685	1.8
147.04459	1.1
148.05240	85.1
149.05562	3.8
161.04431	5.3
163.07594	100.0
164.07872	5.0
173.04485	1.3
191.05583	5.3
192.43999	1.1
199.07623	2.1
315.18176	7.5
447.22385	27.7
448.22391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95015	0.3
59.01266	100.0
60.01601	1.0
69.03357	0.5
71.01278	0.6
71.30914	0.6
89.02349	1.1
91.03912	5.1
96.95940	0.6
99.04418	2.6
101.02428	0.3
113.02396	0.6
115.03944	0.6
129.09158	0.6
158.23012	0.2
185.16817	0.2
189.86186	0.3
197.11826	0.7
206.57219	0.2
207.60394	0.2
208.51772	0.2
211.13431	1.7
211.15126	0.3
222.03673	0.3
270.10251	0.2
293.21313	1.5
301.18265	0.4
311.22360	20.1
312.22684	2.0
385.26309	0.4
401.23618	0.6
445.22345	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51880	0.2
50.91335	0.3
57.28991	0.3
58.55418	0.2
59.01266	100.0
60.01603	0.9
69.31254	0.4
69.31659	2.3
89.02353	0.5
91.03902	2.7
98.96098	0.3
99.04436	2.4
99.05030	0.4
129.09154	0.3
136.80565	0.3
197.11826	0.8
199.13387	0.3
211.13339	1.5
293.21417	0.8
300.19162	0.3
311.22385	12.9
312.22867	1.5
445.22546	1.6
468.26764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54071	0.2
57.03331	0.3
58.44235	0.2
59.01268	2.7
63.02276	0.4
70.44552	0.9
73.02828	0.3
77.40803	0.2
83.01294	0.5
85.02821	0.3
93.03334	0.6
96.95893	0.4
99.04362	0.3
103.13194	0.2
107.01292	0.9
108.02152	0.3
113.02396	0.3
116.15614	0.2
117.03382	0.3
125.02337	0.4
132.02022	0.3
135.00772	0.4
151.00320	2.0
152.01103	0.3
159.04477	0.3
161.02354	0.5
163.00307	0.6
165.01849	0.4
169.06654	0.3
171.04483	0.4
174.03120	0.3
178.99757	0.6
183.04446	1.5
183.10254	0.5
185.06029	0.6
187.03972	0.7
191.05583	0.9
196.05441	0.2
199.04015	0.3
201.05591	0.3
211.03998	1.9
213.05463	0.4
214.02589	0.2
227.03500	68.7
228.03853	6.5
229.05080	1.6
239.03561	0.7
241.04810	0.3
255.03023	84.5
256.03571	11.3
257.04416	1.4
283.02515	0.4
284.03326	59.7
285.04019	19.7
286.04370	1.1
287.02582	0.3
327.05164	0.8
328.06036	0.3
447.09409	100.0
448.09766	13.0
448.16110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.6
59.01265	100.0
60.01601	1.2
61.98719	2.9
65.54235	0.3
67.01768	0.7
69.03357	1.4
71.01274	2.7
71.04910	3.0
71.59431	0.5
72.99212	0.5
75.00771	0.5
78.95795	3.4
83.04933	0.7
85.02866	1.5
87.00786	0.6
89.02351	1.3
91.03919	2.4
96.96883	0.5
97.02885	0.5
99.04425	7.9
101.02382	0.7
109.06556	0.5
111.00797	15.2
111.04454	0.8
113.02366	2.0
115.03927	9.9
115.04691	0.7
121.02863	0.6
121.06541	0.5
124.01565	0.8
129.09186	0.6
135.04478	1.0
152.99541	5.5
153.09137	0.6
161.02425	0.8
171.10153	0.4
181.12286	0.6
195.13899	1.0
197.11829	0.9
205.12428	1.1
211.13435	2.1
217.12350	0.5
223.13431	0.6
249.06134	0.6
259.13403	0.4
264.57373	0.3
267.07300	1.4
285.18753	0.5
293.21320	1.7
301.18225	0.7
311.22342	13.5
312.22891	1.0
329.17685	1.0
333.17264	1.3
349.20456	1.3
385.19028	0.6
401.23474	1.7
445.11493	0.4
445.22351	9.0
446.22751	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78371	0.4
56.18616	0.4
59.01267	6.4
61.95459	0.3
61.98702	0.5
69.03338	0.6
71.01266	1.0
71.57198	0.7
78.95819	0.5
80.02563	9.5
85.02837	0.5
86.56894	0.3
89.02336	0.6
95.01322	0.4
99.04420	32.6
100.04766	1.0
101.02330	0.5
111.00792	0.4
113.02376	0.7
115.03905	0.3
121.02908	0.4
124.01585	100.0
125.01922	3.7
161.04538	0.3
223.13383	0.5
259.20810	0.5
277.21814	3.3
278.22192	0.6
287.20215	1.2
313.18158	1.4
341.25162	0.4
369.24396	1.4
370.24896	0.4
385.18881	0.5
413.23425	58.8
414.23761	9.2
431.24438	0.8
445.26187	3.4
446.26428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26491	0.6
57.03344	1.6
57.71468	0.8
59.01266	100.0
59.96144	0.6
67.22665	0.6
68.99311	0.7
71.01292	2.1
78.95829	0.8
84.77997	0.7
85.02837	0.8
89.02380	1.7
91.03925	2.4
95.82204	0.6
99.04434	2.7
101.02390	1.0
110.69016	0.8
113.02404	0.6
113.09639	6.7
119.03463	0.9
124.01585	1.7
131.03606	0.8
133.03033	0.8
151.44794	0.7
153.09146	1.3
161.04562	0.7
179.10794	1.0
277.21896	1.2
293.21301	53.0
294.21707	4.3
385.18796	1.1
445.22455	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85033	0.9
57.03331	1.7
59.01265	100.0
60.01583	1.4
69.03336	2.2
71.01265	3.2
71.04897	1.7
71.57781	1.8
78.95781	2.6
83.01286	5.3
83.04919	1.7
85.02840	1.9
89.02336	2.7
93.06990	3.2
94.36313	0.9
95.11922	1.0
97.02885	1.7
97.06469	1.7
99.04417	40.4
100.04748	1.3
101.02380	1.1
109.06499	2.1
111.04439	1.2
113.02341	1.5
119.08574	1.1
121.02844	1.5
123.08062	1.6
124.01575	1.8
125.02371	1.4
125.09673	1.1
128.03441	1.0
135.08046	1.1
143.70424	0.9
149.09723	1.1
150.63985	0.8
152.99483	1.7
153.09224	1.1
161.02267	1.0
163.11192	1.2
165.09146	3.3
177.01935	1.1
181.78882	1.1
185.11725	1.2
205.12244	1.1
277.21750	1.9
293.21277	34.4
294.21545	4.0
301.18011	0.9
317.20844	1.1
322.16678	0.9
339.23370	2.1
345.17038	1.6
372.69238	1.0
385.18750	2.8
401.23456	3.6
413.23361	2.8
421.11072	0.9
445.22311	16.5
446.22769	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2605
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
50.63863	0.7
55.01768	1.8
56.99367	0.6
59.01268	100.0
60.01620	1.4
61.14841	0.7
61.98725	0.6
71.01269	1.7
71.61221	0.6
71.61709	0.6
78.95815	2.6
83.04919	4.5
85.02850	48.8
86.03211	1.2
89.02367	2.0
90.93781	0.6
96.09721	0.6
96.95891	0.7
99.04393	3.0
101.02390	0.9
109.02871	1.0
110.98470	2.1
111.04462	1.1
113.02372	0.9
119.03469	0.7
123.08101	0.8
124.01535	1.1
133.83920	0.6
161.04527	1.1
167.01176	1.8
167.10686	0.9
173.09650	0.9
179.05537	1.0
185.02231	1.0
195.13809	0.6
277.21799	16.2
278.22287	1.9
299.20181	6.5
300.20795	0.9
317.21304	0.9
359.22534	0.8
385.23941	57.5
386.24203	10.3
445.26132	65.4
446.26471	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	14.5
61.98716	1.7
71.01263	2.7
84.11100	0.8
84.75498	0.8
85.02837	1.0
89.02335	1.6
93.93677	0.9
96.40652	0.8
98.19753	2.4
101.02393	1.0
111.09921	0.8
113.02420	0.8
121.02900	1.7
123.00781	1.0
136.01572	5.4
137.02356	1.3
151.03941	6.5
153.09111	1.2
164.01100	11.4
165.01768	1.3
179.03470	100.0
180.03830	5.0
183.56129	0.8
185.09682	1.6
194.05833	87.7
195.06194	4.6
209.04515	2.5
213.09189	2.5
214.09856	0.9
215.07204	5.6
215.10759	10.6
216.07875	1.1
224.06944	1.7
229.08659	1.3
230.09459	7.4
231.10332	1.7
245.11905	5.0
246.12535	2.0
257.63641	0.8
260.14197	6.2
325.18143	1.0
355.19305	4.5
370.21655	4.1
385.19049	1.3
385.23856	13.3
386.24338	2.5
445.11786	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93024	0.2
56.30917	0.2
58.39909	0.2
58.41019	0.2
59.01264	1.2
69.57451	0.4
69.57865	1.2
71.01247	0.2
72.55788	0.2
78.95791	5.6
98.19884	0.5
108.55506	0.2
110.98432	4.6
114.96645	0.2
120.15204	0.2
127.07520	0.3
127.86449	0.2
129.15567	0.2
152.99512	0.4
161.46840	0.2
167.01099	1.8
185.02173	4.3
190.51706	0.2
225.66988	0.2
259.20850	0.6
275.20154	0.6
277.21771	100.0
278.22125	11.6
445.23718	7.3
445.29639	0.5
446.24008	1.3
468.95218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.6
71.01268	0.4
71.38013	0.2
72.22075	0.2
73.02845	0.2
78.95799	7.9
80.90089	0.2
98.20546	0.7
99.04414	0.4
104.97381	0.2
110.98453	5.1
127.07554	0.4
152.99445	0.3
167.01125	3.9
185.02187	4.3
191.05620	0.2
223.13222	0.3
233.22816	0.4
259.20502	0.4
275.20258	0.3
277.21799	100.0
278.22150	10.5
323.32010	0.2
445.23718	10.9
446.23959	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2373
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
59.01264	2.2
60.60762	0.3
71.01265	0.5
71.36008	0.4
71.36322	0.4
76.34428	0.3
78.95798	19.2
83.04899	0.4
89.44744	0.3
94.98916	0.4
104.97376	0.7
105.88445	0.4
110.98445	12.9
113.64181	0.3
133.96303	0.3
137.00040	0.8
152.99565	0.6
167.01114	15.7
168.01537	0.6
171.59999	0.4
185.02208	3.9
259.20865	0.5
277.21793	100.0
278.22141	12.0
445.23727	28.8
446.24146	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	445.2243
Annotation	Atranone B
Peak:m/z	Relative Intensity
57.03350	0.3
59.01265	19.6
60.73578	0.3
61.98719	1.6
67.01778	3.8
69.03348	0.8
70.03226	0.7
70.03638	1.1
71.01275	0.8
71.04923	0.4
74.49906	0.3
78.95807	2.0
83.01271	0.5
83.04921	0.8
85.02843	1.5
87.00776	0.3
89.02333	0.8
95.04929	0.3
96.96853	0.5
97.02850	0.8
99.04420	12.1
100.04769	0.4
101.06004	0.7
111.00792	100.0
112.01125	2.7
113.02359	1.0
115.03944	2.3
121.02859	0.4
121.06519	0.4
123.08105	0.4
124.01638	0.4
139.11234	0.3
148.86038	0.3
152.99541	3.0
153.09219	0.5
154.50000	0.3
161.02431	0.3
161.04521	0.5
205.12318	0.7
211.13394	0.3
219.07310	0.2
223.13432	0.3
238.81310	0.3
243.05168	0.3
257.19067	0.4
267.07321	0.3
285.18845	0.3
293.21121	0.6
301.18118	1.2
311.22351	1.8
373.23676	0.3
385.18671	0.7
401.23395	3.9
445.22388	9.3
445.28812	0.6
446.22855	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.3
70.07278	0.9
78.95793	5.2
94.80703	0.3
98.19942	0.3
110.98432	5.0
121.20258	0.3
127.07525	0.3
152.99551	0.5
158.60008	0.3
167.01109	1.9
185.02182	4.7
192.75107	0.3
233.22827	0.5
259.20691	0.6
275.20105	0.3
277.21774	100.0
278.22119	11.9
304.63995	0.2
342.41394	0.3
380.45050	0.3
441.97623	0.3
445.17502	0.5
445.23682	8.8
446.24222	1.5
447.69931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2243
Annotation	Atranone B
Peak:m/z	Relative Intensity
55.01768	1.0
58.30815	0.1
59.01266	2.5
61.98725	0.8
69.03358	0.4
69.59270	1.3
70.24274	0.2
71.01263	0.3
71.04904	0.3
72.99188	0.2
73.29390	0.2
78.95804	0.5
79.95652	0.2
83.04934	0.8
83.11326	0.2
85.02844	100.0
86.03183	2.1
89.02359	0.3
96.95938	0.2
96.96796	0.2
97.02847	0.7
97.06474	0.3
99.04437	0.8
108.02058	0.2
109.02848	0.4
110.03619	0.4
111.00780	1.1
111.04430	0.5
113.02354	0.4
115.03945	1.0
121.06518	0.2
122.03643	1.1
124.05232	0.4
129.01871	0.4
133.06540	0.2
149.31190	0.2
151.07616	0.3
152.99532	0.9
175.11177	0.2
179.07130	0.6
179.52422	0.2
205.12326	0.2
213.14996	0.2
233.11861	1.0
259.31412	0.2
287.20081	0.3
311.22446	0.3
315.19730	2.8
316.20151	0.4
329.17789	0.2
345.20715	1.5
363.18216	0.3
385.18619	0.2
401.23401	15.1
402.23703	2.2
445.22403	62.8
446.22726	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	445.2241
Annotation	Atranone B
Peak:m/z	Relative Intensity
55.01771	2.4
55.96175	0.9
57.03326	4.2
59.01265	28.3
67.01775	1.3
67.66212	0.9
69.03361	2.0
69.48058	6.9
69.48480	1.8
71.01270	15.2
71.04906	1.4
73.02812	1.5
81.03365	2.0
83.01275	12.2
83.04906	3.8
85.02845	100.0
86.03184	1.7
87.00768	1.1
89.02341	2.4
95.01288	3.6
97.02850	3.7
99.00778	1.3
99.04372	2.5
101.02332	2.4
111.00793	85.1
111.04398	1.5
111.08049	1.4
112.01019	1.5
113.02357	11.8
113.34919	1.1
115.03907	3.9
121.02855	1.3
121.06507	15.7
123.08076	3.0
124.01611	1.8
125.02306	1.5
135.04279	1.2
137.09666	2.4
142.21851	1.2
143.03397	3.5
161.02333	1.9
181.06511	1.2
189.09204	1.7
249.38446	1.0
255.17859	1.4
271.20721	3.4
289.21896	3.5
299.26022	2.5
301.27527	6.8
311.92654	1.0
313.18140	3.1
315.19617	3.2
325.17117	2.2
333.20776	6.4
348.99979	1.3
357.24527	4.1
385.18750	1.8
385.29889	1.9
401.23315	12.2
402.23935	1.9
445.22412	52.5
445.31744	26.0
446.22632	8.0
446.32098	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	445.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37759	1.2
50.50304	1.0
56.15557	1.0
57.03317	2.4
59.01267	38.0
61.98703	2.7
69.03321	1.8
71.01279	6.9
71.58791	1.6
73.02833	9.7
78.95776	1.4
83.01290	2.6
83.04906	1.2
85.02842	15.4
87.00760	2.0
89.02316	4.2
97.02798	1.5
97.06496	2.8
99.04419	82.6
100.04728	2.1
101.02352	6.6
107.85400	1.5
111.00789	3.2
113.02344	3.6
115.03905	6.3
119.03453	2.2
121.06520	38.0
122.06860	1.3
123.08069	1.2
124.01571	1.1
124.37273	1.1
152.99515	2.4
153.09132	2.6
175.39856	1.1
187.11273	1.6
201.12817	2.4
223.16963	1.3
257.19156	8.8
275.20117	3.4
301.18161	29.1
302.18619	2.7
319.19162	2.6
357.24185	2.3
385.18530	1.4
401.23395	47.7
402.23730	6.3
403.23398	5.0
445.22379	100.0
446.22589	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	16.0
59.73836	0.4
61.98730	2.1
67.01773	3.7
69.03339	0.9
71.01270	1.6
71.04916	0.7
78.95797	5.9
79.58893	0.4
83.01268	0.4
83.04935	0.4
85.02850	1.9
89.02341	1.0
96.96865	1.2
97.02850	1.1
98.19824	0.7
99.04420	10.7
109.06458	0.4
111.00791	100.0
112.01137	3.2
113.02376	2.3
115.03918	2.2
121.02900	0.8
121.06523	0.7
124.01566	1.3
127.85091	0.4
129.01785	0.4
133.02846	0.6
135.04550	0.4
151.07555	0.4
152.99521	10.7
153.09079	0.5
161.02425	0.7
161.04532	0.7
163.11328	0.4
171.00554	0.7
173.04556	0.6
176.80307	0.4
191.05586	0.7
205.12299	0.6
249.06215	0.5
267.07352	1.0
301.18182	0.6
311.22482	1.3
333.20920	0.6
363.17801	0.4
385.18777	0.9
401.23544	1.6
425.21616	0.4
445.22412	8.0
446.22769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2092
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
55.01775	4.8
57.03339	3.7
58.00486	1.5
59.01269	37.9
65.03863	0.2
67.01788	0.4
69.03355	2.0
69.50663	2.0
71.01273	75.0
72.01605	1.2
72.92915	0.2
72.99197	2.5
73.02839	28.0
75.00768	2.5
81.03346	1.3
83.01284	9.1
83.04920	4.5
84.02073	0.6
85.02847	30.0
85.99995	0.5
86.03189	0.7
87.00771	4.2
89.02341	27.3
90.01522	0.3
90.02692	0.5
93.03362	18.6
94.03706	0.9
95.01292	5.6
95.01892	0.3
97.02858	4.1
99.00785	15.1
99.04433	1.1
101.02351	52.0
102.02673	1.5
111.00796	0.7
113.02364	26.3
114.02688	1.1
115.03936	3.0
117.03361	1.2
119.03429	6.1
119.04944	0.9
121.02884	0.4
124.48078	0.3
125.02376	7.9
127.03913	0.6
129.01860	1.2
131.03421	3.9
133.36134	0.3
135.70837	0.3
137.02383	39.8
138.02759	1.7
143.03442	3.7
145.02905	3.6
149.04512	3.6
151.00337	0.7
151.11270	1.4
155.10703	0.3
159.02966	4.3
161.04520	25.9
162.04884	0.9
163.03992	0.6
173.04529	0.7
178.99942	0.3
179.05588	1.1
183.04517	0.5
189.14041	0.3
191.05606	2.7
205.03563	1.0
215.05589	0.4
227.03354	0.5
229.73515	0.3
233.06700	7.6
233.08990	0.5
234.07224	0.3
255.03052	3.3
271.02628	1.5
283.02560	6.2
284.03000	0.4
293.08868	4.7
294.09305	0.3
300.02817	2.3
301.03638	1.0
307.08209	0.9
313.16647	44.8
314.17001	4.5
349.63806	0.4
357.15631	0.3
385.19406	0.3
445.20898	100.0
446.21240	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	445.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
58.00492	0.8
59.01268	100.0
60.01618	1.0
61.98731	1.4
66.64914	0.3
69.39331	0.9
69.39751	2.1
71.01276	17.2
72.99225	1.1
73.02846	0.9
75.00761	0.3
83.01307	0.5
83.04926	2.7
85.02848	2.2
87.00800	1.1
89.02343	28.1
93.03371	0.4
95.01290	1.2
96.95985	0.4
99.00813	0.3
101.02352	8.8
101.77766	0.3
102.02753	0.3
113.02364	6.4
119.03419	10.7
119.04840	0.5
121.06541	0.5
125.02408	0.5
131.03470	1.7
143.03458	2.8
149.04539	1.3
150.97557	0.3
161.04533	3.8
161.65184	0.3
163.04027	0.4
173.04506	0.3
179.05585	19.0
180.06007	0.9
191.05608	1.6
199.02142	0.3
200.12224	0.3
205.12456	0.9
209.11964	0.4
365.95618	0.3
385.19208	0.3
424.47702	0.3
445.20920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86203	0.3
55.48560	0.3
56.02918	0.3
58.00477	1.2
59.01265	100.0
60.01596	1.2
64.27102	0.3
64.60915	0.3
67.79486	0.3
69.07507	0.3
69.55031	1.7
69.55446	0.9
71.01271	17.6
72.99205	1.4
73.02834	0.5
75.00766	0.4
83.01286	0.7
83.04904	2.1
85.02840	3.0
87.00780	1.4
89.02337	26.3
90.02691	0.4
95.01304	1.1
95.52119	0.4
101.02348	8.3
101.66998	0.3
102.02774	0.4
105.45692	0.4
113.02361	7.9
113.03167	0.5
119.03421	10.8
131.03432	1.9
143.03442	3.6
149.04517	1.3
161.04514	4.3
179.05574	24.0
180.05991	0.6
205.12466	0.7
234.05589	0.3
267.07336	0.5
445.19330	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2088
Annotation	Dendroside G
Peak:m/z	Relative Intensity
55.01776	0.4
57.03332	0.9
58.00476	0.8
58.99490	1.6
59.01264	100.0
60.01600	1.4
61.98729	2.6
69.22057	1.4
69.22477	3.2
71.01270	13.1
72.99201	0.9
73.02838	2.7
75.00779	1.3
78.95807	0.6
79.42612	0.4
83.63471	0.4
85.02831	3.6
87.00781	1.2
89.02336	15.5
90.02702	0.4
90.12990	0.4
90.13905	0.4
93.03378	1.3
95.01288	1.0
95.31132	0.4
96.95915	2.2
96.96889	0.7
97.02875	0.6
97.36304	0.4
98.02394	1.2
99.00776	0.7
101.02342	8.6
102.98498	5.8
106.65665	0.4
107.04916	0.4
113.02364	6.9
113.03511	0.5
119.03429	7.3
119.04868	0.5
119.78178	0.4
130.08701	0.4
131.03485	0.8
134.03734	0.6
135.04478	0.7
143.03465	1.0
145.02911	0.5
149.04546	0.8
149.06097	0.6
152.03519	1.6
161.02403	0.5
161.04456	3.8
163.11285	1.3
179.05609	2.6
179.10732	4.8
181.08719	0.6
191.05620	1.7
193.05072	0.8
195.04889	0.5
205.12325	5.2
206.12735	0.7
249.06169	0.7
283.04962	5.9
284.05447	0.5
341.16479	0.5
428.40125	0.4
445.21353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03350	0.6
58.00482	1.3
59.01266	100.0
60.01601	1.0
69.03352	0.6
70.73123	1.4
71.01270	30.9
72.01628	0.5
72.99204	1.7
73.02836	6.2
75.00783	1.0
75.03615	0.4
76.15305	0.5
77.22216	0.5
78.95814	0.8
83.01289	1.8
85.02850	6.9
87.00776	2.6
89.02339	24.9
90.02705	0.6
93.03387	1.1
95.01304	1.5
95.04964	0.6
96.95931	1.9
96.96886	0.8
97.02879	2.0
99.00794	2.1
101.02351	19.6
108.05730	0.5
113.02352	13.1
113.05993	1.2
118.72046	0.4
119.03430	9.9
121.02877	4.9
123.08112	1.5
125.02380	1.3
125.05962	0.7
131.03432	1.7
137.02400	0.8
138.06807	3.4
139.07587	2.4
143.03418	4.0
149.04506	1.0
151.07602	5.8
152.04671	0.6
152.08369	8.4
153.09157	26.2
154.09502	1.6
159.02950	1.9
161.02489	0.7
161.04506	15.0
161.09776	0.5
162.04868	0.6
167.07068	0.6
178.04991	0.5
179.05583	13.1
179.06989	0.7
179.10721	0.6
191.05635	2.2
205.12320	11.8
206.12752	0.8
209.11774	0.5
221.06743	1.5
223.13409	13.9
224.13771	1.3
239.05911	0.7
270.20648	0.5
385.18811	20.9
386.18961	2.7
445.21545	1.6
445.85703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47695	0.2
54.99428	0.3
55.01775	5.9
57.03341	4.3
58.00483	3.0
59.01267	63.9
59.98419	0.3
60.01603	1.0
67.55207	0.3
68.99711	0.7
69.03352	2.8
71.01273	85.1
71.91975	0.2
72.01604	1.2
72.99203	3.9
73.02839	37.2
74.03181	0.5
75.00765	2.0
79.47779	0.2
81.03356	1.2
83.01284	12.0
84.01625	0.3
85.02847	32.4
85.99992	0.6
86.03201	0.8
86.55648	0.3
87.00780	4.1
87.01286	0.4
87.44012	0.4
89.02341	63.2
90.02680	0.8
93.03347	0.6
95.01285	4.4
97.02872	3.4
98.20650	0.5
99.00786	25.0
99.04422	1.0
100.01099	0.8
101.02350	74.5
102.02682	1.9
111.00800	1.1
113.02361	29.2
114.02717	0.8
115.03917	2.4
115.11374	0.3
119.03426	9.3
125.02370	6.4
126.02763	0.3
129.01859	1.2
131.03433	13.5
132.03714	0.3
143.03453	3.7
149.04504	42.1
150.04861	1.1
151.11223	1.8
159.02956	3.5
161.04503	20.5
162.04831	0.9
173.04485	0.4
179.05609	1.4
191.05592	10.9
191.07338	0.6
192.05968	0.7
193.12437	0.4
205.03549	0.6
207.68376	0.3
215.05782	0.3
221.06703	1.0
233.06662	3.6
242.08244	0.7
251.07756	2.5
293.08838	2.2
313.16656	49.9
314.16992	5.1
357.15649	0.6
427.10480	0.4
445.20898	100.0
446.21234	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	445.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07154	0.4
50.50655	0.5
51.74931	0.4
59.01267	100.0
59.84723	0.6
60.01592	1.6
61.98718	1.4
69.96714	0.9
69.97126	1.7
71.01272	1.6
78.95802	3.6
89.02369	1.6
96.95926	1.4
98.20546	0.7
99.04423	1.2
101.02369	1.2
113.02348	1.0
119.03421	0.7
121.02845	2.8
132.73300	0.5
133.64720	0.5
148.87689	0.5
149.00044	5.7
153.09218	1.1
161.04543	0.7
179.05621	0.8
205.16000	4.8
223.13435	0.5
247.77557	0.5
276.84238	0.5
355.16910	18.3
356.17407	2.1
385.18018	10.9
386.18585	1.4
415.12134	1.0
430.14355	1.0
445.16257	1.4
445.20956	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2091
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
55.01775	5.3
56.97923	2.0
57.03341	4.3
58.00488	2.3
59.01266	57.7
60.01603	0.7
64.30039	0.4
67.01764	0.4
68.99693	0.8
69.03345	1.6
70.02887	0.6
71.01270	80.4
72.01591	1.4
72.99200	3.8
73.02835	34.4
74.03217	0.4
74.98988	1.2
75.00775	2.0
81.03378	0.5
83.01279	10.7
84.01608	0.5
85.02840	30.7
86.00002	0.6
86.03178	1.0
86.92549	0.4
87.00774	4.3
89.02338	54.9
90.02684	1.2
93.03348	0.8
95.01289	4.9
96.00825	0.5
96.95936	0.9
97.01126	0.4
97.02852	3.4
99.00783	21.9
99.04427	0.7
101.02345	65.3
102.02670	1.3
111.00805	1.8
113.02358	26.9
114.01933	0.5
114.02682	1.1
115.03916	2.5
118.98036	2.6
119.03416	8.2
121.02849	0.4
124.13844	0.4
125.02370	7.4
129.01842	1.2
131.03429	12.0
135.04424	0.4
136.54175	0.4
143.03429	2.7
149.04497	33.6
150.04834	0.9
151.11288	1.9
159.02962	4.0
161.02382	1.0
161.04506	21.0
173.04477	0.6
179.00069	1.5
179.03467	0.5
179.05559	1.5
191.05588	10.1
193.04854	0.4
195.10329	0.5
205.03455	0.5
221.06586	1.2
233.06750	3.7
251.07727	2.1
283.10489	0.5
283.15677	0.7
293.08893	2.6
313.16638	48.8
314.16937	5.0
315.16507	0.5
357.15646	0.9
445.20883	100.0
446.21249	13.7
446.27621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40960	0.2
52.55621	0.2
59.01265	3.6
61.61519	0.2
68.99032	0.2
69.28136	1.5
69.28562	0.9
71.01281	0.3
73.02834	0.2
77.56832	0.2
78.95797	3.8
79.95622	1.7
87.39402	0.3
89.02336	0.8
96.95914	100.0
96.96808	7.0
97.95832	0.3
106.38968	0.2
111.00790	0.3
129.09073	0.2
147.77428	0.2
151.90984	0.2
173.32445	0.2
206.29709	0.2
303.19830	0.3
375.06644	0.2
396.07410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.2
59.01266	2.9
71.01267	0.3
71.57877	0.2
73.02852	0.1
78.95798	3.3
79.95630	2.5
84.53116	0.1
85.02867	0.2
87.00763	0.5
89.02331	0.8
95.70388	0.2
96.95916	100.0
96.96815	6.7
97.02850	0.3
97.93016	0.2
97.95835	0.5
100.92571	0.2
102.98489	0.3
111.00803	0.7
111.30712	0.2
113.02384	0.3
115.03957	0.4
130.60179	0.2
132.12183	0.2
203.67007	0.2
253.12733	0.2
271.13998	0.2
323.41510	0.2
347.18622	0.5
359.15466	0.2
399.31143	0.2
445.12057	0.2
445.23029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31353	0.3
56.65365	0.3
59.01266	100.0
60.01593	1.1
61.98721	0.5
69.03355	0.5
71.01283	0.5
71.58776	0.5
83.50574	0.3
85.02847	0.5
89.02349	0.7
91.03912	2.1
93.03385	0.4
96.38100	0.3
97.02848	0.4
99.04441	1.1
111.08095	1.2
113.02415	0.5
114.77030	0.4
115.03938	0.8
128.11664	0.4
132.85242	0.3
133.02873	0.4
135.04448	0.6
160.69316	0.4
161.02417	0.5
171.10236	0.5
191.05696	0.4
197.11829	3.6
211.13507	0.5
243.03017	0.5
271.02585	0.7
285.04184	0.5
291.19736	2.9
309.20795	8.4
310.21158	0.7
314.04263	1.7
383.13043	0.3
443.13531	1.0
443.20804	0.7
443.27423	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3388
Annotation	oscr#34
Peak:m/z	Relative Intensity
57.03345	1.8
59.01262	6.3
62.52107	1.0
67.02262	1.1
69.49085	1.8
69.49485	7.5
75.51859	1.0
76.04274	1.0
78.99702	1.1
89.02361	1.4
91.03909	1.3
98.19838	1.9
101.43340	0.9
126.64582	0.9
152.62802	1.0
158.70316	1.0
159.94582	1.2
227.20142	1.8
250.23820	1.1
305.28491	1.3
307.30112	100.0
308.30490	12.2
325.31201	3.7
351.29144	45.7
351.32477	1.0
352.29575	6.3
369.30179	97.6
370.30505	15.6
395.99011	1.0
402.36493	1.0
443.33890	83.0
444.34247	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	444.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.3
58.02861	3.3
59.01270	5.2
67.01765	0.6
70.02867	0.6
70.17530	0.4
71.01271	27.3
71.04890	1.0
81.03371	0.4
83.04911	1.2
84.56721	0.5
85.02827	1.1
85.64378	0.5
88.03936	55.9
89.02329	0.5
89.04298	1.0
93.03357	0.7
96.99216	1.2
99.08052	3.5
113.02412	0.5
114.01875	0.9
115.00284	17.1
125.09639	1.8
127.11177	0.6
129.09152	0.6
132.02956	4.5
133.02881	2.4
135.04427	2.0
142.12291	0.8
150.31055	0.5
152.10760	2.0
161.02394	8.8
165.12712	0.5
167.14194	0.5
170.11865	2.8
179.03423	1.3
180.13921	0.9
182.15515	3.4
183.13850	1.1
190.12306	0.8
191.05605	1.9
192.13943	1.8
193.12308	1.5
198.14961	0.9
208.13432	0.6
210.14989	14.2
211.13419	7.6
211.15248	0.7
212.13824	0.5
220.48448	0.4
224.31850	0.5
228.16060	4.6
229.14494	4.6
230.41386	0.5
256.04913	0.7
256.54953	0.7
292.22681	0.6
328.25000	5.6
329.23364	21.9
330.23672	2.6
339.05066	0.4
340.05609	0.6
342.13998	0.5
378.61215	0.4
400.27148	5.7
401.27432	1.3
426.25079	0.9
444.26123	100.0
445.15527	4.1
445.21118	0.7
445.26382	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	443.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23615	0.5
59.01265	100.0
60.01599	0.9
61.98715	1.0
69.76782	0.4
71.01281	0.7
71.56184	0.5
71.56560	0.9
73.02853	1.7
74.02094	0.4
74.98865	0.4
78.57553	0.5
78.95805	1.5
81.40971	0.5
89.02341	0.6
94.81467	0.5
99.04417	0.7
110.98463	0.6
131.08846	0.4
137.11436	0.4
151.11313	0.5
165.12839	0.8
209.11891	2.0
261.18280	0.5
275.20227	6.9
276.20520	1.1
309.21008	1.4
341.11102	0.7
383.24503	0.7
461.72897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.6
59.01264	100.0
60.01601	2.4
61.01683	0.5
61.98719	1.9
65.86280	0.6
68.99693	0.5
69.05466	0.6
69.40772	0.6
70.03455	3.1
71.01269	10.0
72.99232	0.7
73.02840	4.2
73.03181	0.6
75.00759	0.7
83.01286	2.5
85.02849	3.6
87.00764	0.5
89.02334	3.8
95.01283	0.7
98.20494	0.9
99.04430	0.9
101.02348	5.6
101.87451	0.6
109.65998	0.5
111.00813	1.0
113.02367	4.0
117.78197	0.5
119.03436	0.9
133.02890	0.8
135.04460	1.0
143.03467	1.0
149.06039	1.0
150.06827	0.6
155.93388	0.5
157.06963	0.6
161.02437	0.8
161.04514	1.4
163.73105	0.6
177.16562	0.8
179.05560	1.3
191.05615	1.0
278.98428	0.6
309.20862	0.6
314.97852	0.6
315.05292	1.1
329.23410	0.6
383.24683	0.8
401.25549	1.9
443.22470	1.1
443.30664	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	443.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27061	0.3
59.01263	100.0
60.01600	1.1
60.55182	0.2
66.36315	0.2
67.53834	0.2
71.44681	0.6
73.90335	0.2
98.82964	0.2
99.04424	0.6
149.05952	0.4
152.99657	0.4
158.64195	0.2
166.31833	0.2
178.75943	0.2
191.05701	0.4
209.11824	0.6
224.84309	0.3
240.93341	0.2
267.70663	0.3
291.19659	2.3
309.20770	3.8
309.23737	0.3
310.21185	0.4
381.99384	0.3
397.84082	0.3
443.27237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12830	0.4
59.01266	100.0
60.01603	1.2
61.98723	0.9
71.01291	0.6
71.59718	0.7
78.95829	0.4
83.04942	0.4
99.04420	2.5
105.27652	0.4
113.02316	0.5
126.68527	0.4
161.02318	0.7
191.10756	0.4
209.11909	0.7
262.35452	0.4
285.05984	0.5
291.19742	2.6
309.20807	4.7
342.08899	0.5
350.43005	0.4
361.10721	0.5
383.13107	0.5
443.29785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95395	0.3
59.01266	100.0
60.01605	1.5
60.72058	0.3
63.00866	0.3
71.01272	6.6
71.57383	0.4
72.99190	0.4
73.02841	2.4
83.01286	1.2
85.02848	5.2
87.00793	0.6
87.44016	0.3
89.02343	4.4
94.91216	0.3
95.01308	0.8
95.07718	0.3
95.33363	0.3
97.02853	0.3
99.00844	0.5
101.02343	4.0
107.89767	0.3
111.00757	0.4
111.46154	0.4
113.02368	3.5
119.03433	1.3
119.48617	0.3
131.03481	0.5
143.03424	0.5
149.04486	0.4
161.02458	0.5
161.04535	1.2
173.93849	0.4
179.05615	0.5
191.05684	0.9
276.44562	0.4
279.52356	0.4
291.34103	0.4
299.02020	0.4
300.02835	0.9
305.57013	0.3
315.05264	2.4
345.06311	1.0
353.19473	0.5
371.20462	1.1
401.25638	0.8
443.09805	0.8
443.20087	0.6
443.25494	0.4
443.30734	0.6
451.37866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1932
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.23834	1.1
55.01770	2.3
57.03345	2.9
58.00471	1.6
59.01266	34.6
69.47491	9.9
71.01275	27.1
72.99195	3.7
73.02838	4.6
75.00773	3.4
78.95809	3.4
79.20219	1.2
79.51685	1.3
82.33224	1.2
83.01295	3.2
85.02841	11.6
87.00791	3.0
88.68861	1.4
89.02346	14.3
93.03364	3.5
96.96867	2.5
99.00813	1.7
101.02345	20.0
113.02354	9.6
119.03413	5.5
137.02374	3.2
160.39032	1.3
163.78922	1.2
180.65166	1.4
191.05595	6.7
216.67889	1.2
233.72012	1.2
402.77179	1.5
443.19339	100.0
444.19794	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	443.1929
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
52.14942	1.6
59.01263	34.5
70.04171	1.6
71.01266	28.1
71.57124	1.7
71.57511	2.4
72.99179	2.9
73.02822	4.0
75.00764	20.8
78.95750	2.5
83.01266	3.5
85.02835	11.4
87.00777	3.3
88.98688	3.0
89.02338	16.9
94.45177	1.9
95.01269	2.6
96.96905	2.6
101.02338	23.2
111.04411	1.8
113.02344	12.1
115.75945	1.5
115.76802	1.5
117.53136	1.8
119.03403	7.9
125.99029	1.7
147.15097	1.7
161.04546	1.8
191.05568	7.5
192.05861	2.0
196.16821	1.8
201.35869	1.9
202.60699	1.6
219.13872	2.8
232.77650	1.6
252.01505	1.7
443.19278	100.0
444.19785	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	443.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01610	1.5
60.12888	0.2
64.26270	0.2
68.99703	0.3
69.03371	0.2
69.64553	1.3
71.01266	1.9
72.99231	0.3
73.02830	1.7
83.01296	0.2
85.02853	0.7
87.00796	0.5
89.02359	0.6
93.03358	1.1
96.95935	0.2
98.20571	0.3
98.49360	0.2
99.00772	0.2
101.02349	1.6
109.02911	0.3
111.04467	0.2
113.02377	0.7
119.03454	0.3
119.04996	0.2
121.02895	0.3
127.03963	0.2
133.02892	0.2
134.03670	0.4
135.02896	0.3
135.04482	1.1
145.02895	0.2
149.04314	0.9
151.79276	0.2
153.33022	0.2
161.02406	0.2
161.04581	0.4
161.09685	0.3
162.85461	0.2
163.03944	0.3
166.81818	0.2
167.03578	0.2
173.04523	0.8
179.03481	0.2
181.05055	0.2
191.05563	2.4
191.07143	0.2
193.03320	0.6
193.04987	0.2
218.88261	0.2
226.08652	0.3
256.37799	0.2
323.15048	0.2
357.85608	0.2
361.07965	0.2
380.83099	0.2
406.68518	0.2
411.38565	0.2
440.20377	0.2
443.19305	0.2
444.13101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69400	0.3
55.01774	0.7
57.03339	1.1
57.67164	0.3
59.01268	100.0
60.01604	1.0
61.98724	3.3
69.03345	1.0
69.38141	0.3
71.01278	8.0
71.01673	0.5
71.62263	0.3
72.99207	1.2
73.02840	2.7
75.00770	0.7
78.95790	0.6
81.03368	0.6
82.81814	0.3
83.01288	1.8
85.02851	9.3
86.03214	0.3
87.00773	6.8
89.02349	1.8
93.03370	2.5
95.01293	0.8
95.04961	0.6
96.95926	0.4
96.96894	0.3
97.02883	1.2
97.06483	0.4
99.00784	1.8
99.04427	0.9
101.02351	5.8
101.02991	0.3
107.04944	0.9
107.07430	0.3
108.02116	1.1
109.02912	0.6
111.00792	0.7
111.04464	0.8
113.02361	6.4
115.03969	0.6
119.04993	0.6
121.02876	0.4
123.04448	2.6
125.02363	1.5
125.06030	2.0
127.04029	0.4
129.01872	0.4
134.03607	0.8
135.04485	1.3
137.02391	2.2
139.03960	0.5
141.05553	1.8
143.03471	0.7
149.06090	0.4
151.03996	0.8
152.01123	0.7
153.05548	0.7
159.03008	0.7
161.02473	0.4
161.04515	3.1
163.04012	0.6
167.03464	2.3
169.05060	0.9
173.04584	0.8
191.05605	3.4
193.05078	0.3
214.15904	0.4
257.44299	0.3
269.10336	3.4
309.09921	3.5
310.10394	0.5
327.08896	0.7
337.09280	0.3
353.08737	0.5
383.08841	0.5
383.13611	11.3
384.14038	1.3
401.14642	8.7
402.14941	1.1
425.24048	0.4
443.20520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96901	1.7
59.01265	62.0
59.93167	1.7
60.01598	1.4
71.01268	21.4
71.56817	1.4
71.57188	1.8
72.99176	2.3
73.02838	10.3
78.95779	1.6
83.01279	2.2
85.02840	6.8
87.00768	50.6
89.02337	12.5
94.42210	1.4
95.01282	1.8
99.00784	2.2
101.02342	47.8
113.02345	8.3
119.03407	3.8
125.02341	3.7
130.08665	3.2
131.09064	1.9
132.14964	1.4
143.03439	10.5
153.67174	1.8
161.04472	3.0
165.37488	1.5
179.05551	3.6
207.06784	2.3
323.09875	100.0
324.10135	6.2
341.10876	5.5
364.65436	1.7
383.11987	20.5
384.12134	2.0
409.09061	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.0
57.03341	4.6
58.00471	1.0
59.01265	30.2
61.98729	0.5
64.15482	0.4
64.35913	0.4
67.01786	1.6
68.99702	2.4
69.03343	2.1
71.01271	34.4
72.13099	0.5
72.99204	7.7
73.02837	2.6
75.00765	21.2
78.95803	0.6
80.25365	0.4
81.03345	0.9
83.01296	1.9
83.04916	0.6
85.02846	33.3
86.03165	0.7
87.00770	13.9
89.02341	8.9
89.03875	1.9
91.03963	0.9
93.03371	1.5
95.01284	6.7
95.04889	0.5
96.95926	0.6
97.02862	0.8
99.00784	16.4
99.04434	0.6
101.02351	1.8
103.00278	3.0
103.04014	0.6
111.00780	1.7
112.01628	0.5
113.02360	41.6
114.02718	1.3
115.00277	3.1
117.01874	4.9
117.03380	8.1
119.04900	0.5
122.14160	0.5
128.03455	0.8
129.01868	2.9
131.03419	1.5
132.02094	0.6
133.02892	3.2
134.03667	97.5
135.04382	5.2
137.02400	2.5
145.02895	0.8
149.02316	0.8
149.06020	8.1
157.01361	1.6
160.01622	7.8
161.02399	4.3
175.02458	3.3
175.03972	10.2
176.04340	0.5
178.02634	1.0
179.03502	2.1
179.07101	1.3
182.94986	0.5
189.03986	0.6
191.05626	1.8
193.05038	50.2
194.05412	2.8
195.06659	3.5
207.05154	2.2
231.05119	1.5
249.06189	33.6
250.06552	2.0
252.06476	2.2
253.07179	1.6
267.07224	100.0
268.07513	4.8
295.08267	0.6
308.49338	0.5
309.11127	0.5
381.12152	1.1
383.09647	0.9
388.09457	0.5
399.13129	0.9
411.09360	1.3
412.09924	0.5
425.10904	4.2
443.12030	99.9
444.12360	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	443.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
59.01263	2.4
65.00222	0.4
67.01782	0.5
68.99706	0.5
69.03345	0.6
69.49633	0.7
69.49957	3.1
71.01267	1.2
77.10530	0.3
81.03350	3.6
83.01262	0.5
85.02839	0.8
85.06470	0.8
86.92136	0.3
87.00769	0.5
87.04404	0.7
93.03370	0.8
95.01297	0.4
95.04929	0.4
96.00819	0.8
97.02854	0.7
107.04933	0.4
109.02873	0.4
109.06523	3.0
111.04433	3.7
113.02402	0.3
121.02879	0.8
122.03645	1.8
123.04510	0.5
123.28682	0.4
125.02370	6.0
135.04442	0.7
149.02393	1.4
151.00285	1.0
151.07596	37.9
152.07976	1.9
153.05487	0.5
161.02441	1.9
165.05544	0.7
167.03450	0.5
175.00378	0.7
177.05569	0.6
179.03517	0.7
179.07118	1.2
186.03146	0.4
191.05606	2.1
191.07169	1.2
194.05846	0.7
195.06615	100.0
196.06969	6.3
202.66451	0.3
207.06653	0.8
208.07430	0.4
209.08159	2.3
219.06638	21.9
220.06947	1.5
220.53944	0.4
225.24197	0.3
237.07715	8.6
249.07724	3.1
256.04889	1.4
339.05106	0.9
353.08972	0.5
381.11948	0.4
399.13049	13.9
400.13361	1.6
443.27771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.9
59.01263	7.2
59.78589	0.4
62.56116	0.3
65.00195	0.4
65.23306	0.3
67.01775	0.4
71.01274	1.5
71.57348	0.5
73.02839	0.6
73.03265	0.4
78.95808	2.2
81.03350	3.5
83.01279	1.1
85.02849	0.8
85.06480	0.4
87.00766	0.9
89.02341	0.8
90.61566	0.4
93.03362	1.1
96.19939	0.3
96.96876	1.5
97.92869	0.3
101.02357	0.6
107.01322	0.4
109.02912	0.4
109.06507	2.4
111.00788	0.8
111.04426	3.2
113.02356	0.8
119.04932	0.9
122.03627	1.3
123.04410	0.4
125.02375	6.8
135.04413	0.7
137.02438	0.4
149.02371	1.1
149.06001	0.8
151.00313	0.7
151.07590	25.4
152.07921	1.1
155.03418	0.5
161.04506	0.5
173.04514	1.2
177.05559	0.4
179.03436	0.5
191.05547	2.6
191.07088	0.6
192.22122	0.4
195.06610	100.0
196.06947	5.2
207.10301	0.4
219.06750	0.7
233.09496	1.0
237.07703	0.7
249.08998	0.5
290.11957	0.6
299.11380	0.4
302.19431	0.4
399.12695	1.9
443.14322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
57.03350	0.4
59.01264	100.0
60.01596	1.5
61.98733	0.6
71.01270	5.4
71.57323	0.3
72.99196	0.2
73.02840	2.5
75.00765	0.3
83.01270	1.0
85.02844	2.8
87.00791	0.5
89.02337	1.3
93.03365	0.3
95.01331	0.4
96.95920	0.3
97.02857	0.2
99.00790	1.1
101.02345	2.9
101.03002	0.2
104.70793	0.2
108.02126	0.2
113.02357	1.9
119.03458	0.3
119.04910	0.2
125.02437	0.2
125.51679	0.1
131.03496	0.3
133.02864	0.3
135.04521	0.2
135.08086	0.2
137.02408	0.2
143.03452	0.2
148.05238	9.8
149.05698	0.6
157.31598	0.2
159.02980	0.3
161.02432	0.3
161.04506	2.4
163.04002	0.3
163.07593	11.4
164.07971	0.4
173.04536	0.2
178.02728	0.2
179.03468	0.2
191.05602	1.2
219.13962	0.2
221.74406	0.2
243.02893	0.2
243.67281	0.1
314.04431	0.2
315.05042	0.2
356.44070	0.2
399.23959	1.7
400.24371	0.3
441.17630	3.4
442.18445	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	442.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	19.2
59.01266	45.9
61.98719	100.0
69.03329	0.8
69.88224	0.5
71.01275	10.2
71.77647	0.5
72.99205	1.1
73.02847	2.8
75.00768	2.2
78.95795	1.3
83.01299	1.5
85.02845	8.2
87.00757	2.8
89.02355	2.1
93.03360	10.6
93.03924	0.7
95.01302	1.4
96.95954	1.1
96.96836	0.7
98.14020	0.6
99.00794	3.0
99.04423	16.1
101.02360	8.8
107.04957	0.9
111.04414	0.9
113.02362	6.8
119.03396	0.7
119.04986	0.7
123.04454	1.5
125.02373	5.6
130.06497	0.7
133.02905	1.6
134.03719	0.7
135.04475	1.4
137.02371	15.7
140.15558	0.6
141.05542	0.6
143.03485	1.0
145.02931	1.0
155.03326	0.6
159.02924	0.7
161.02406	2.6
161.04526	2.6
173.04549	2.0
177.01799	0.7
179.03519	0.8
191.05573	7.0
192.06230	0.8
199.93756	0.5
235.11806	3.7
249.06247	2.7
267.07291	11.4
268.07620	0.6
269.10385	1.6
277.13040	1.8
287.67053	0.6
299.07883	0.7
305.09012	0.9
309.09854	1.0
317.16342	1.0
323.83490	0.6
327.83966	0.6
379.16214	10.3
380.16565	1.2
382.18152	2.2
383.13574	5.0
401.14636	6.4
424.12845	0.7
442.13303	3.2
443.14581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
59.01266	100.0
60.01599	1.2
61.98690	0.4
70.33106	0.2
71.01276	4.1
71.57361	0.4
72.99192	0.3
73.02852	1.1
75.00794	0.5
77.57819	0.3
78.95791	0.6
79.67091	0.3
83.01290	0.7
85.02852	2.5
87.00775	0.9
89.02357	0.7
93.03352	1.6
95.01279	0.4
96.96915	0.3
97.06471	0.3
99.00791	0.6
101.02340	2.0
111.04447	0.3
113.02370	1.9
119.04960	0.9
121.06592	0.3
129.01881	0.3
133.02850	0.7
134.03687	0.5
135.04448	1.1
137.02383	0.4
145.02907	0.4
159.03001	0.3
161.02399	0.9
161.04486	2.1
163.03954	0.4
173.04539	1.1
178.02705	0.4
179.03503	1.0
181.22392	0.3
191.05588	6.0
192.05934	0.3
195.06676	0.3
205.03494	0.2
207.54190	0.3
213.15059	0.3
215.07207	0.8
271.02499	0.6
275.09241	0.3
299.02100	0.6
337.09454	0.5
399.24057	1.3
441.21188	0.4
447.11566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2506
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
53.80365	0.2
55.01760	0.4
57.03327	0.4
59.01267	100.0
60.01608	0.9
69.48910	1.5
71.01272	3.5
73.02855	1.6
83.01309	0.5
85.02846	2.1
86.99500	0.2
87.00803	0.4
89.02390	0.5
93.03350	1.1
95.01306	0.4
97.06517	0.7
99.00818	0.5
101.02349	2.9
102.65977	0.2
113.02358	1.8
119.04971	0.9
120.36038	0.2
129.01924	0.2
134.03641	0.2
135.04459	0.3
143.03409	0.4
149.08231	0.2
155.03502	0.2
159.02963	0.3
160.36571	0.2
161.04500	2.1
163.04019	0.7
167.11487	0.2
173.04533	0.6
178.02681	0.2
187.07651	0.3
191.05588	4.6
192.05998	0.4
215.07213	0.6
219.18027	0.2
229.08832	0.3
257.45139	0.2
337.09320	0.4
388.15445	0.2
399.24008	2.0
400.24738	0.4
441.15530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.3
57.03331	0.4
58.00474	0.3
59.01267	100.0
60.01604	1.6
61.98718	1.4
67.10079	0.2
69.03353	0.6
70.93086	0.3
70.93401	0.2
71.01273	13.4
72.99203	0.9
73.02839	14.9
75.00763	0.3
81.03345	0.3
83.01277	3.7
85.02842	2.8
87.00788	0.6
89.02339	4.0
93.30044	0.2
95.01302	0.9
97.02826	0.3
99.00787	0.2
99.04437	0.2
101.02352	12.0
105.80665	0.2
113.02357	6.1
119.03446	1.4
121.02858	0.4
125.02383	0.5
125.78272	0.2
131.03421	1.2
135.04486	0.4
143.03464	0.9
149.04520	0.7
151.04005	0.9
155.03468	0.4
161.02425	0.3
161.04497	1.9
191.05606	0.4
210.79546	0.2
221.06630	0.2
241.03392	0.2
270.56906	0.2
289.12225	0.2
313.03745	0.3
361.59589	0.2
411.06888	0.3
441.21478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01598	1.5
61.98732	0.4
69.72838	0.4
69.73254	1.0
71.01272	1.7
71.20549	0.2
72.99202	0.9
73.02838	1.1
82.86462	0.2
83.01281	0.5
85.02859	0.7
87.00783	0.3
88.81082	0.2
89.02346	0.9
91.00270	0.6
93.03368	0.4
95.01296	0.3
96.95946	0.5
99.00771	0.2
101.02332	1.3
113.02383	0.6
119.03461	0.2
121.02876	2.4
133.02933	0.4
135.04486	0.5
151.03967	0.2
161.01266	0.2
161.02361	1.1
161.04478	0.5
163.04062	0.3
173.04572	0.3
179.03488	0.4
191.05597	1.1
192.58434	0.2
213.53912	0.2
246.32416	0.2
271.02734	0.4
299.01984	0.4
350.89307	0.2
399.24323	0.5
401.74640	0.2
441.21045	1.1
451.32941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2505
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
53.00499	0.2
55.01771	0.9
57.03347	0.5
57.72281	0.2
57.99651	0.2
58.00476	0.8
59.01263	100.0
60.01608	1.4
61.98725	0.3
69.03351	0.6
70.00267	1.0
71.01268	22.7
72.01589	0.4
72.05608	0.2
72.99201	0.8
73.02833	20.9
74.03160	0.4
75.00752	0.5
81.03374	0.2
83.01276	5.6
83.55489	0.2
83.56021	0.3
84.26431	0.2
85.02839	4.4
86.03215	0.2
87.00774	1.2
89.02336	7.9
91.79166	0.2
93.85217	0.2
95.01286	1.2
97.02859	0.6
98.20432	0.3
99.00768	1.0
101.02345	20.2
102.02696	0.6
113.02355	7.5
119.03425	2.3
125.02385	0.9
131.03406	1.6
143.03448	1.5
149.04504	0.9
155.03473	0.7
161.02478	0.4
161.04497	3.9
179.05649	0.4
191.05595	0.5
209.51111	0.2
219.17789	0.3
237.18578	2.3
318.46951	0.2
381.22824	1.7
399.23950	12.1
400.24136	1.6
432.60071	0.2
441.24725	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	441.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
59.01266	100.0
60.01599	1.2
61.98690	0.4
70.33106	0.2
71.01276	4.1
71.57361	0.4
72.99192	0.3
73.02852	1.1
75.00794	0.5
77.57819	0.3
78.95791	0.6
79.67091	0.3
83.01290	0.7
85.02852	2.5
87.00775	0.9
89.02357	0.7
93.03352	1.6
95.01279	0.4
96.96915	0.3
97.06471	0.3
99.00791	0.6
101.02340	2.0
111.04447	0.3
113.02370	1.9
119.04960	0.9
121.06592	0.3
129.01881	0.3
133.02850	0.7
134.03687	0.5
135.04448	1.1
137.02383	0.4
145.02907	0.4
159.03001	0.3
161.02399	0.9
161.04486	2.1
163.03954	0.4
173.04539	1.1
178.02705	0.4
179.03503	1.0
181.22392	0.3
191.05588	6.0
192.05934	0.3
195.06676	0.3
205.03494	0.2
207.54190	0.3
213.15059	0.3
215.07207	0.8
271.02499	0.6
275.09241	0.3
299.02100	0.6
337.09454	0.5
399.24057	1.3
441.21188	0.4
447.11566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2505
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01768	0.2
57.03343	0.3
59.01264	100.0
60.01595	1.0
61.98718	0.2
65.10236	0.1
69.14301	0.1
71.01269	4.2
71.57130	0.1
71.57549	0.2
72.50499	0.1
72.99232	0.1
73.02836	1.6
75.00759	0.1
83.01276	0.5
85.02844	1.9
87.00777	0.3
89.02337	1.4
93.03370	0.1
95.01308	0.4
97.02854	0.1
99.00800	0.3
99.04445	0.2
101.02337	2.3
113.02368	2.2
113.03163	0.1
119.03431	0.5
125.02373	0.1
131.03511	0.2
135.04495	0.2
143.03493	0.3
149.04486	0.1
153.39096	0.1
159.02986	0.3
161.02484	0.1
161.04504	1.7
179.05617	0.2
191.05612	0.7
192.05998	0.1
244.40813	0.1
272.19763	0.1
277.96625	0.1
295.56042	0.1
313.03629	0.1
341.19772	0.1
399.23911	0.9
400.24414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2502
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.62481	0.2
55.01764	0.6
57.03337	0.8
57.18796	0.2
59.01266	100.0
60.01598	1.3
61.79019	0.2
61.98710	0.3
69.03342	0.2
71.01270	12.5
72.01613	0.3
72.99214	0.7
73.02835	4.5
75.00771	0.4
83.01283	2.1
85.02843	6.6
87.00784	0.7
89.02341	1.7
93.03366	0.6
95.01287	1.2
95.11339	0.2
97.02854	0.5
98.19741	0.4
99.00770	1.9
101.02347	7.5
102.02681	0.2
111.00809	0.2
113.02364	5.2
119.03444	0.7
125.02393	0.4
143.03462	0.7
149.29012	0.2
150.64664	0.2
152.01178	0.3
159.02982	0.8
161.04518	7.4
162.04945	0.2
173.04640	0.2
179.03596	0.2
179.05620	0.3
184.83012	0.2
191.05598	2.1
195.06653	0.3
197.07190	0.3
203.05583	0.3
205.03616	0.2
219.17558	0.2
229.61357	0.3
237.11346	1.4
237.18602	1.2
238.19109	0.2
250.06711	0.4
263.05630	0.3
352.37369	0.2
381.22794	1.3
399.23950	9.5
400.24316	1.1
441.25244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
59.01265	100.0
60.01595	1.3
69.34024	1.5
71.01270	5.1
72.99221	0.4
73.02840	1.9
75.00809	0.2
78.95831	0.2
81.03353	0.1
83.01283	0.9
84.48901	0.1
85.02844	1.6
87.00777	0.5
88.37816	0.2
89.02340	2.0
93.03365	0.2
95.01299	0.4
99.00788	0.4
99.04353	0.1
101.02345	2.9
113.02353	2.4
119.03431	0.7
135.26508	0.2
135.98270	0.2
137.94293	0.1
143.03490	0.3
159.02931	0.1
161.04480	1.0
191.05617	0.6
192.82135	0.2
298.90207	0.1
375.73221	0.2
381.22974	0.3
399.23953	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2506
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.74291	0.1
51.60159	0.1
55.01775	0.2
57.03345	0.2
58.00496	0.2
59.01267	100.0
60.01602	1.4
64.76782	0.1
69.75360	0.1
71.01274	5.2
71.22514	0.3
72.01626	0.1
72.99216	0.3
73.02848	1.7
83.01281	0.7
85.02847	2.2
89.02347	1.5
93.03400	0.2
95.01319	0.4
97.02890	0.1
97.06491	0.2
99.00795	0.4
101.02350	3.6
108.60480	0.1
111.04512	0.1
113.02363	2.0
119.03449	0.5
119.04976	0.2
123.49207	0.1
131.03416	0.1
137.02432	0.2
143.03442	0.2
149.04539	0.1
159.02895	0.1
161.04503	1.2
173.04588	0.2
173.70848	0.1
179.05563	0.1
186.09384	0.1
191.05598	0.8
201.02692	0.1
202.97392	0.1
381.23129	0.3
399.18744	0.1
399.23953	2.0
400.24484	0.3
400.94434	0.1
404.67194	0.1
441.14874	0.5
441.28885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2508
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
57.03329	0.2
57.41994	0.1
59.01266	100.0
60.01592	0.9
61.98709	0.2
69.03349	0.6
71.01266	2.2
71.04947	0.2
71.59660	0.2
72.99223	0.2
73.02848	0.4
85.02856	1.0
87.00803	0.2
89.02333	1.6
95.01307	0.2
95.04945	0.2
96.56004	0.1
96.96886	0.2
97.02856	2.0
99.00782	0.2
101.02348	1.8
108.02060	0.2
109.06512	0.2
110.81156	0.2
111.63723	0.2
112.04007	0.2
113.02379	1.1
115.03918	3.1
119.03412	1.2
133.02824	0.2
161.02354	0.3
161.04503	1.0
165.19765	0.1
179.05626	0.4
191.05638	0.2
214.43320	0.2
325.21671	1.0
326.22308	0.2
343.22745	0.2
381.22946	2.1
382.23355	0.3
441.26505	3.2
441.31995	0.2
442.27133	0.5
454.74835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.9
57.03352	0.5
58.00471	0.9
59.01268	100.0
60.01596	1.8
60.80038	0.3
61.01680	0.7
67.01759	0.2
67.20117	0.3
68.40575	0.3
69.03339	1.3
69.45741	1.2
69.46174	1.4
71.01275	32.7
72.01611	0.5
72.99198	1.0
73.02840	43.5
74.03196	0.5
75.00758	0.8
79.88486	0.3
80.22762	0.3
81.03368	0.4
83.01282	13.2
84.01606	0.3
85.02846	4.0
87.00776	1.3
89.02346	5.2
91.18251	0.3
93.03374	1.1
95.01292	0.7
97.02883	1.0
97.06508	1.1
98.20541	0.4
99.00814	0.7
101.02351	35.8
101.91060	0.3
102.02693	0.9
102.98512	0.4
111.00793	0.4
111.08150	0.3
113.02367	8.7
117.01872	0.5
119.03416	2.3
119.04947	1.0
121.10154	2.0
123.08110	0.4
125.02367	1.8
129.21117	0.3
131.03429	2.7
134.03699	0.4
135.04457	0.4
137.02448	0.4
143.03445	2.8
149.04494	2.5
155.03442	1.4
161.04514	6.1
163.03944	0.8
173.04507	0.9
173.13293	0.6
175.14886	9.8
176.15263	0.6
187.07582	0.4
191.05569	4.9
192.05923	0.4
193.15814	0.4
200.75615	0.3
203.05592	0.4
215.07028	0.6
219.13914	16.9
220.14244	1.3
221.06700	0.8
237.14969	2.2
290.86945	0.3
379.22449	0.3
381.19205	0.7
399.19858	2.0
399.24713	0.6
400.20682	0.4
440.32159	0.5
441.21378	34.8
442.21689	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	439.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35485	0.9
52.69388	0.9
57.03326	0.9
57.42697	0.8
58.00479	1.2
59.01265	9.2
60.09484	0.9
61.48865	0.8
69.03304	1.2
71.00897	1.8
71.01270	24.8
73.02837	3.2
75.00771	4.3
83.01255	1.1
85.02840	4.4
89.02335	5.7
91.03919	0.9
95.01255	1.2
98.20663	1.8
101.02340	6.7
113.02358	10.1
113.93988	1.0
121.02897	1.6
161.04514	1.0
271.22955	1.0
277.21780	100.0
278.22147	11.4
291.23328	2.6
301.21701	2.7
319.22861	12.3
320.23190	1.6
331.22797	4.0
347.25958	3.4
349.23846	3.9
365.27036	6.4
366.27850	1.1
439.24643	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	441.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	3.2
58.00481	3.5
59.01266	82.5
60.01584	1.3
61.98689	1.1
70.20014	3.0
70.20433	2.1
71.01272	54.2
72.01581	1.1
72.99196	4.2
73.02841	4.5
83.01263	4.0
83.04912	1.5
85.02847	14.3
87.00766	4.0
89.02341	49.3
89.16411	1.0
93.03372	6.2
95.01285	3.6
95.24803	0.9
97.02853	1.2
97.12593	1.1
99.04419	2.2
101.02349	37.5
109.02876	10.9
111.04488	1.6
113.02367	20.8
119.03421	23.0
119.04942	3.1
121.06473	1.0
123.04494	1.7
131.03394	2.6
133.06534	10.8
134.03667	8.3
135.04440	4.4
136.05118	1.2
137.02385	2.7
137.06012	1.9
139.07581	13.7
143.03445	2.3
145.02937	1.7
149.04547	2.4
149.05952	3.4
151.07565	1.3
161.02420	1.6
161.04530	10.4
163.03986	3.1
169.08737	2.0
173.04515	3.7
174.06754	1.1
178.02626	2.0
179.03436	1.1
179.05597	5.8
187.11308	1.7
191.05621	9.2
192.99721	1.6
205.12277	3.0
213.03142	1.3
217.12364	4.5
219.10167	1.6
235.13428	2.5
261.11523	1.8
275.09378	4.7
293.10461	8.4
312.18460	1.2
330.13275	28.6
331.14035	18.2
332.14322	1.1
395.19354	3.5
397.18820	5.7
441.17783	100.0
442.18216	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	439.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	100.0
60.01604	1.1
61.98725	0.6
64.45016	0.1
69.58150	0.2
70.03990	0.2
70.04408	0.5
71.01273	2.3
72.99210	0.2
73.02852	0.8
74.30444	0.1
78.95805	0.2
83.01300	0.3
85.02860	0.7
89.02343	0.9
93.03365	0.9
95.01311	0.3
96.99242	0.5
99.00844	0.2
101.02369	1.5
108.02126	0.2
109.02897	0.3
110.98400	0.2
113.02364	0.9
119.03448	0.3
119.04968	1.3
121.02856	0.3
121.36220	0.1
121.94730	0.2
124.28669	0.1
125.02415	0.2
131.04988	0.3
133.02866	0.2
134.03683	0.4
135.04451	0.3
137.02310	0.2
143.03477	0.2
143.04977	0.5
145.02844	0.8
146.03683	0.2
147.04486	0.7
148.05199	0.2
148.63559	0.2
149.04498	0.2
158.03699	0.3
159.04532	0.3
161.02434	0.2
161.04523	0.8
161.05850	0.2
163.03949	0.6
178.02667	0.3
179.03554	0.2
191.05568	0.2
191.14388	0.2
209.01299	0.2
209.95329	0.2
213.94885	0.2
217.15944	0.4
223.07794	0.1
225.05560	0.4
226.06160	0.7
234.07011	0.2
235.07634	0.2
235.17001	0.6
238.06569	0.2
251.07156	1.0
252.07860	0.3
253.08713	2.4
254.09381	0.9
279.06796	1.0
280.07248	0.5
300.35437	0.2
315.18185	0.2
397.22250	0.3
439.14096	8.4
439.23553	0.4
439.32230	4.0
440.14474	1.3
440.32797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37959	22.0
59.01264	100.0
61.98708	25.8
77.40147	25.8
93.78860	24.4
98.19650	57.2
101.06015	65.6
105.03683	27.2
108.24268	25.3
129.64326	29.1
148.48369	24.4
149.39586	22.3
184.66826	32.2
203.79674	24.4
230.07883	37.8
281.69214	27.4
459.54053	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	439.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59780	0.1
59.01265	100.0
60.01591	1.1
61.98717	0.2
71.01269	1.5
73.02837	0.5
83.01291	0.3
85.02858	0.7
89.02357	0.6
93.03380	0.3
95.01293	0.2
95.94283	0.1
96.99214	0.3
98.19782	0.4
101.02334	1.1
107.69403	0.1
113.02342	1.2
119.05006	0.3
145.02872	0.2
161.04500	0.8
163.03886	0.2
189.26213	0.2
235.17160	0.3
251.07277	0.2
279.06711	0.3
315.18338	0.4
357.19611	0.2
379.21426	0.4
397.22592	0.6
398.22626	0.2
439.13995	1.8
439.23651	0.2
439.31821	0.2
440.14517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04295	2.4
58.00473	2.6
59.01268	87.7
69.63982	7.7
69.64409	8.3
71.01275	61.4
72.99188	5.1
73.02835	8.7
73.92616	2.1
81.25243	2.3
83.01258	3.4
85.02861	12.3
87.00751	5.6
89.02341	100.0
93.03337	4.5
95.01273	2.8
96.95924	5.6
97.02869	2.5
99.00792	10.1
99.04436	3.4
101.02353	39.5
113.02354	21.9
119.03399	21.0
125.02356	2.6
131.03436	14.3
143.03415	5.4
149.04509	38.6
152.31612	2.3
161.04512	4.4
173.04515	4.3
179.05577	13.9
191.05577	36.0
191.07149	3.9
195.06665	3.2
204.50763	2.0
218.44403	2.1
247.11893	18.9
262.46924	2.5
331.38525	2.4
372.11121	2.8
379.16168	85.5
380.16611	10.5
439.17651	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	439.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69822	0.8
59.01268	21.9
60.01595	1.1
60.98890	1.1
60.99194	14.3
70.36234	2.6
71.01256	3.2
72.15811	0.7
73.02832	1.6
78.26498	0.7
88.98700	100.0
89.02343	2.9
89.99017	1.0
101.02363	1.3
113.02330	1.2
119.04935	1.9
123.44895	0.8
127.07603	1.7
165.75267	1.0
197.63858	0.8
233.15477	1.8
234.15797	3.5
235.16151	1.6
309.11606	0.8
331.19321	2.1
349.20316	3.4
397.22348	1.3
415.81747	0.9
439.32507	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	439.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	33.1
58.03682	0.6
59.01265	42.8
60.01608	0.5
61.98718	6.9
69.19246	0.4
69.59927	1.3
69.60370	1.1
71.01273	5.0
73.02827	2.3
78.95805	0.3
81.03360	0.6
83.01301	0.9
85.02855	2.4
87.00784	0.9
89.02350	1.3
93.03339	0.4
95.01292	0.4
96.95915	1.3
97.02861	0.3
98.20615	0.3
99.00793	0.6
99.04420	26.5
99.29843	0.3
100.04774	0.5
101.02345	9.5
103.00314	0.3
113.02357	2.0
116.48911	0.3
119.04998	0.4
120.99587	1.1
123.04452	0.6
125.02370	12.1
126.02766	0.4
131.04919	1.3
132.05733	1.6
133.06522	100.0
134.03668	0.3
134.06848	4.9
135.04422	0.5
143.03474	1.0
145.02948	0.4
161.02452	1.5
161.04514	3.7
165.72678	0.4
179.03435	0.6
191.05612	1.0
193.05028	0.3
195.06592	1.1
203.05600	0.7
204.02504	0.4
206.18495	0.3
239.31711	0.3
243.08798	0.6
247.04350	2.1
295.12027	0.7
299.02066	0.4
337.13034	0.7
397.22839	0.4
439.15372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90821	1.2
53.36114	1.1
57.03338	1.7
58.00489	2.7
59.01267	76.8
61.98726	1.3
68.43768	1.1
69.03350	1.4
69.94458	1.1
70.12352	5.0
71.01268	53.4
71.22075	1.4
71.22474	1.3
72.99208	10.0
73.02836	14.4
75.00766	9.1
78.95824	1.3
79.78044	1.1
83.01285	2.6
83.04930	1.6
85.02840	11.2
87.00784	4.0
88.98734	1.8
89.02336	68.8
91.00282	6.3
93.03331	2.5
95.01283	2.6
96.95913	4.3
96.96870	1.7
97.02882	1.9
99.00782	17.9
99.04460	2.5
101.02351	30.6
102.02689	1.4
107.04938	2.1
113.02351	13.9
119.03426	10.4
123.04532	1.4
125.02357	3.9
131.03427	11.3
131.07117	1.8
137.02376	1.8
143.03476	3.0
149.04494	31.7
161.02348	3.2
161.04477	4.7
161.45132	1.5
165.05518	3.0
173.04529	1.7
179.04158	1.4
179.05545	7.7
191.05611	19.1
195.06631	3.1
221.06793	1.5
235.08174	2.8
247.11943	3.6
251.07790	4.5
293.08914	1.3
379.16168	100.0
380.16525	12.4
439.08978	1.3
439.18445	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	439.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.3
69.03334	0.5
71.01283	1.3
71.24524	1.0
71.39276	0.5
72.99184	1.3
75.00761	1.9
78.50984	0.5
85.02838	1.0
87.00784	0.6
89.02345	2.2
93.03328	3.3
96.95892	1.3
101.02349	2.0
105.03314	0.6
109.02866	0.6
113.02377	0.6
117.96847	0.5
119.03416	0.8
121.02899	2.9
122.03650	8.0
123.04399	0.5
133.02875	1.3
135.04388	1.1
136.01570	1.5
136.53021	0.6
137.02374	6.2
149.02377	25.1
149.03568	1.3
150.03163	57.2
151.03496	3.0
152.24818	0.5
153.01932	0.8
161.02426	0.6
161.04605	0.6
164.04755	5.2
165.01881	34.2
165.05519	53.6
166.02263	1.2
166.05858	2.4
177.01917	1.0
179.03455	0.7
179.05746	0.7
180.04247	23.8
181.04794	1.6
183.06604	0.7
191.05582	2.9
195.06601	100.0
196.06926	6.2
243.08748	3.5
273.07767	0.6
301.07184	2.1
313.46759	0.6
313.96759	0.7
316.09711	2.0
331.11966	7.8
332.12219	0.7
345.14951	0.6
379.15860	1.1
391.14081	14.6
392.14508	2.1
439.16284	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	439.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03338	96.5
57.44777	0.6
58.03685	1.6
59.01265	100.0
60.01601	1.5
61.01679	0.8
67.31842	0.6
69.03321	0.6
71.01273	23.5
73.02834	6.9
75.00764	0.9
80.54190	0.6
80.95809	0.5
81.03359	1.8
83.01281	3.5
85.02842	8.7
87.00763	0.9
89.02332	1.1
93.03355	1.3
95.01306	1.2
96.95915	0.7
97.02848	1.1
98.20597	2.2
99.00768	2.6
99.04421	78.7
100.04750	2.2
101.02345	24.7
113.02358	7.7
115.05451	0.6
125.02367	24.7
131.04927	2.0
133.02847	1.6
133.06523	3.5
134.03648	0.6
135.04414	1.3
137.02385	0.6
143.03413	2.6
159.02844	1.8
161.02455	3.0
161.04500	12.3
173.04442	1.2
179.03444	0.7
191.05511	1.9
203.05603	6.4
230.37236	0.9
243.08548	1.3
337.12924	0.8
349.26819	0.6
380.73621	0.6
439.15955	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.4
57.03339	100.0
58.03678	1.5
59.01265	90.7
60.01618	0.7
60.97711	0.4
61.90495	0.4
69.33406	0.4
71.01270	23.4
73.02840	7.3
75.00784	0.5
81.03356	1.6
83.01283	3.4
85.02840	8.8
89.02332	1.1
93.03360	0.5
95.01286	1.9
95.58815	0.5
97.02847	0.7
99.00781	2.5
99.04420	83.6
100.04761	1.9
101.02348	26.5
102.02679	0.7
113.02364	7.6
113.22377	0.4
115.05495	0.6
125.02363	26.6
131.04955	2.3
133.06532	4.0
143.03473	2.3
159.02899	1.3
161.02397	1.1
161.04507	13.3
179.68024	0.5
186.21019	0.5
191.05542	1.3
203.05566	7.2
230.03648	0.7
243.08797	0.7
274.83609	0.5
295.11603	0.6
337.12552	0.5
439.15912	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	439.1409
Annotation	Pharacine
Peak:m/z	Relative Intensity
50.17890	0.7
59.01263	16.2
61.98712	0.8
66.90882	0.9
71.01270	4.7
72.99200	1.1
73.02841	1.4
85.02859	0.9
90.50865	0.8
93.03366	6.7
95.85639	0.8
96.95920	1.1
96.99249	0.8
97.06491	1.3
98.19793	2.7
98.24374	0.7
101.02346	1.9
108.02087	1.4
109.02847	3.9
113.02319	1.7
115.00304	5.0
117.03345	1.1
119.04941	14.1
121.02845	2.0
123.00739	1.0
123.04444	0.9
124.01519	1.0
130.04230	1.1
131.04932	2.9
132.05728	2.8
133.02861	5.6
134.03668	9.1
135.04456	7.0
137.02367	9.9
139.03951	1.8
143.04990	1.9
145.02911	5.5
145.06528	1.5
146.03680	5.3
147.04460	18.1
148.05222	2.7
150.03156	12.1
151.03703	0.9
159.04457	7.7
161.04651	0.7
161.06023	15.3
163.03957	7.4
173.05934	1.0
176.04742	1.7
178.02673	25.6
179.03447	4.1
187.03996	1.2
189.01904	0.7
190.02693	1.3
191.03479	2.7
191.05446	0.9
192.04237	1.3
198.30635	0.7
201.20044	0.7
202.02895	0.7
209.05954	1.0
211.13367	0.9
223.07474	0.8
223.76814	0.7
225.05524	2.0
226.06380	8.4
227.07008	0.9
228.38818	0.7
235.07600	2.1
236.08493	1.2
237.05652	0.8
238.06393	3.4
251.07120	8.1
252.07938	12.2
253.08737	100.0
254.09471	62.1
255.09908	6.3
267.10434	4.9
268.10550	0.8
269.58582	0.8
279.06659	2.4
280.07431	1.3
297.07727	2.9
298.08664	3.7
298.38376	0.8
323.13034	1.1
341.06616	3.2
342.07730	1.7
351.16055	1.6
397.22562	1.0
439.14050	67.9
439.32224	12.1
440.14377	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	439.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19283	0.2
56.95619	0.2
59.01249	0.5
70.04415	1.2
71.01257	0.3
78.95795	41.2
79.95621	0.5
89.02345	0.6
96.95938	26.7
96.96862	100.0
101.01288	0.2
101.02312	0.4
110.98502	0.2
133.51730	0.2
161.04416	0.3
179.05573	0.9
205.91628	0.2
215.26678	0.2
219.05104	0.4
439.08615	2.9
462.25076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	68.9
61.98714	7.6
62.99737	2.6
67.01796	3.1
68.99702	4.2
69.03348	6.6
71.01270	43.3
71.62903	4.6
72.99221	4.0
73.02844	3.3
78.95791	26.5
80.02566	4.7
83.01283	23.6
83.04952	3.5
85.02840	14.1
87.00778	33.5
93.03358	25.1
96.95930	17.8
96.96873	20.2
97.02882	8.7
99.00783	10.2
99.04404	4.5
101.02336	5.9
102.14585	2.8
104.02696	2.7
107.52982	2.5
108.32536	3.0
109.02895	4.7
111.00800	4.7
111.04398	6.6
113.02380	9.0
115.00296	27.8
117.03410	6.8
118.19376	2.7
119.04952	33.3
121.02888	8.2
123.04440	3.6
127.00288	4.7
127.03925	5.1
129.01889	6.4
132.02107	6.4
133.02911	9.9
134.03680	47.6
135.04468	7.9
137.02390	14.9
141.01944	4.7
143.03479	4.1
143.82944	2.9
145.01376	76.7
145.02863	11.5
145.16559	3.1
145.40884	3.4
147.04488	7.6
148.05182	7.3
149.06055	8.8
160.01622	42.9
161.02313	4.2
162.03204	3.4
163.03897	13.3
173.00877	7.8
173.04555	18.1
174.06818	8.4
175.03961	42.5
176.04642	4.6
178.02679	4.4
179.03329	4.0
187.03978	3.5
188.04465	3.3
189.09099	2.8
189.12883	7.7
191.05597	44.4
191.07141	5.4
192.05960	3.1
193.05032	40.3
194.05397	3.4
199.02483	100.0
200.02835	5.3
207.13986	3.7
211.07637	4.5
217.05156	7.8
233.08009	9.3
233.09634	10.1
235.06192	6.2
243.77818	2.6
251.13069	7.3
305.06760	8.6
335.03885	4.7
335.07825	43.6
336.08081	6.1
351.16125	5.1
352.09891	3.2
353.08914	10.9
360.86005	3.1
395.10043	16.1
439.13309	9.8
439.19855	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	438.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.9
71.56786	0.5
78.95799	16.6
86.17240	0.3
120.11694	0.4
122.00066	0.5
123.72932	0.4
140.01102	4.6
152.99527	1.4
154.01791	0.3
155.08565	0.3
157.63100	0.4
171.10184	0.5
196.03780	9.1
197.04147	0.4
214.04807	2.1
239.10715	0.4
241.21754	100.0
242.22118	9.0
244.78513	0.4
438.26355	31.1
439.26651	3.7
439.31909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99482	13.6
54.00533	11.5
57.58216	14.0
58.09291	13.9
59.01256	26.6
69.70057	100.0
73.75894	12.4
98.20522	26.9
152.99451	19.5
159.70047	13.2
212.89288	14.7
217.42723	13.1
234.11993	13.1
255.16145	25.4
269.23965	22.4
437.30783	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	438.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63255	0.2
57.03341	13.5
58.49384	0.2
59.01268	12.9
59.52753	0.2
60.01603	0.4
61.98720	100.0
68.90124	0.3
68.99717	0.2
71.01277	2.5
71.59429	0.3
73.02845	0.7
78.95802	0.3
81.03349	0.3
83.01286	0.8
85.02869	0.8
87.00794	0.5
89.02336	0.3
93.03352	0.6
95.01284	0.3
96.95934	0.9
97.02876	0.2
99.04422	10.7
101.02354	4.2
101.12566	0.2
102.98489	0.2
103.00238	0.2
106.04115	0.2
109.35912	0.2
111.04421	0.3
113.02370	1.0
117.03416	0.4
119.04926	1.1
120.99561	1.3
121.02861	0.2
125.01440	0.3
125.02370	5.4
131.04965	0.2
132.05745	1.0
133.06526	42.0
134.03680	0.5
135.04475	0.3
143.03412	0.5
145.02866	0.6
147.04442	0.6
158.03732	0.2
161.02411	0.3
161.04507	1.7
162.56966	0.2
163.03934	0.9
173.04530	0.5
179.03409	0.4
191.05569	1.1
201.05602	0.4
203.05701	0.3
205.03537	0.2
214.15283	0.5
227.03613	0.4
243.08730	0.2
247.04375	2.0
251.07269	0.3
255.03008	0.7
271.02469	0.5
271.39557	0.2
279.06616	0.3
283.02585	0.6
284.03345	0.5
295.11993	0.4
296.06570	0.2
299.01944	0.3
300.02719	0.3
335.06009	0.4
337.12897	0.3
378.27560	0.3
439.13992	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	437.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52440	12.1
59.01256	12.8
59.64419	11.6
60.41832	12.1
64.85158	11.8
66.32858	12.8
69.57542	11.0
70.73138	38.8
78.95790	30.7
80.44126	12.6
112.56953	11.9
117.03426	24.3
152.99503	35.4
203.19624	13.0
255.23386	59.4
269.25024	100.0
321.68924	15.3
437.26508	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2554
Annotation	ent-13S-Hydroxy-14R,15-diacetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
59.01265	100.0
60.01609	1.2
69.03351	0.4
71.56339	0.4
78.85077	0.3
84.20128	0.3
87.04425	0.3
99.04435	0.8
101.56586	0.3
133.02916	0.5
137.06824	0.3
138.32704	0.3
150.59805	0.3
161.02400	1.2
177.02104	0.4
191.05589	0.3
233.15636	0.7
245.35127	0.3
319.22943	0.3
320.23270	0.3
321.23535	0.7
393.25632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2707
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
53.43773	0.2
69.03342	3.7
69.53751	0.5
69.54163	1.1
71.04905	0.3
78.95808	0.2
91.04919	0.2
91.05447	0.7
117.03380	100.0
118.03715	3.9
127.38525	0.2
135.04463	0.4
147.18117	0.2
275.23792	0.9
301.21872	1.4
319.22849	25.2
320.23169	3.3
437.27045	48.4
438.27377	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	437.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90491	2.6
57.59070	2.9
59.01257	4.2
62.56898	2.8
70.78008	6.3
70.78355	5.2
72.66740	2.8
72.93267	3.3
78.95797	31.7
117.03362	9.7
125.00009	5.0
152.99503	26.3
153.99919	4.7
154.99922	3.6
162.03432	2.7
181.02679	8.1
255.23325	100.0
256.23624	10.8
269.24857	8.9
437.26669	29.4
438.26877	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	437.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
57.03341	1.6
58.00471	1.9
59.01271	37.8
60.01604	0.8
61.98706	0.6
69.03324	0.7
71.01275	21.5
71.04921	2.5
71.60011	0.5
72.99201	2.2
73.02834	1.1
83.01295	1.3
83.04914	0.4
85.02855	5.3
87.00763	1.6
89.02349	17.8
93.03360	1.7
95.01275	1.6
96.95940	0.5
97.02881	0.5
97.06497	0.4
99.00797	0.4
101.02355	12.4
101.06017	0.5
103.05871	0.4
105.81133	0.4
109.02859	0.9
111.04424	0.5
113.02360	6.9
117.03415	0.5
119.03426	8.1
119.04927	1.2
121.02835	0.7
125.02351	1.0
125.09625	0.5
127.11202	9.2
131.03458	0.5
133.02884	0.6
134.03650	2.1
135.04488	1.0
136.01564	0.6
137.02414	1.9
137.09627	0.8
138.03099	0.5
139.11237	0.7
143.03482	0.9
145.02898	1.1
147.04478	1.8
149.02412	0.5
149.06007	0.5
150.03218	0.7
152.01088	0.6
153.01894	1.3
153.57866	0.4
155.10748	4.6
157.12296	47.8
158.12622	2.4
161.02316	0.4
161.04575	0.5
163.03992	1.5
164.04694	0.7
167.03386	0.5
171.10143	0.5
173.04510	1.6
175.07745	0.5
178.02673	0.6
179.03448	0.5
179.05550	1.3
191.05609	4.4
192.04259	1.4
193.04997	3.9
195.06607	0.6
201.14973	0.5
225.05595	0.5
229.18045	0.9
239.07074	0.6
257.17633	21.1
258.17947	1.9
267.06616	0.6
275.18719	4.2
281.08023	0.5
283.09814	1.0
284.06851	0.5
347.04327	0.7
387.11121	2.1
437.24045	100.0
438.24371	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	437.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.2
58.00474	0.3
59.01267	5.0
59.01567	0.3
66.77872	0.1
68.99695	0.2
69.03316	0.2
71.00899	0.2
71.01273	3.5
71.59209	0.2
71.59636	0.2
73.02831	3.1
75.00760	0.4
78.95786	0.2
81.03355	0.2
83.01270	0.6
85.02831	0.6
87.00750	0.4
95.01292	0.1
96.95864	0.1
97.02880	0.2
99.04401	0.4
101.02342	1.5
101.92322	0.1
113.02339	0.9
113.54081	0.1
123.08090	0.2
125.02351	0.5
143.03421	0.1
151.27644	0.1
155.03455	0.4
191.05673	0.2
203.05536	0.2
217.15906	0.3
219.17619	0.3
233.15482	100.0
234.15826	9.6
245.15562	0.3
247.17038	2.0
248.17294	0.2
249.18686	0.1
257.15555	0.7
259.17145	0.4
264.24747	0.1
269.21207	0.2
273.06415	0.1
275.16565	2.6
276.17023	0.3
278.10526	0.1
287.16592	1.0
305.17758	0.8
437.21451	0.2
437.26318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89125	18.8
51.58588	17.3
59.01272	93.8
65.83518	16.9
70.09769	90.4
71.84064	17.5
72.99194	18.5
75.09263	20.2
79.43366	18.7
104.41116	16.8
110.12035	19.7
111.50883	20.2
161.02380	17.3
392.61868	21.8
437.28253	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	437.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00577	0.3
57.03333	1.4
59.01265	67.2
60.01608	0.7
68.99696	0.4
69.03338	1.4
71.01272	7.0
71.57852	0.4
71.58265	0.5
73.02848	1.5
81.03340	1.0
83.01257	0.8
85.02836	1.9
87.00233	0.6
87.00769	10.9
87.04427	0.8
93.03370	0.5
96.95909	0.7
97.02872	1.8
98.03667	0.6
99.00800	0.7
99.04422	1.1
101.02357	2.1
107.04921	0.4
109.06505	1.7
110.03642	1.2
113.02329	0.6
120.05707	1.8
121.06532	2.7
125.02390	0.8
127.07594	0.7
135.04471	1.1
135.08110	0.8
137.06052	0.6
143.03462	0.5
161.04453	1.1
164.89363	0.4
173.09674	0.7
173.11960	0.5
173.13322	4.6
175.11142	0.5
187.11259	1.3
189.12801	1.1
191.07185	0.4
199.11168	1.0
201.12808	0.5
203.05579	1.3
203.14389	14.1
204.14723	1.0
205.15981	5.8
206.16367	0.6
215.10771	1.3
215.14404	14.0
216.14772	1.5
217.12289	1.0
219.13864	0.7
231.13947	4.1
232.14661	2.3
233.15479	100.0
234.13448	0.6
234.15822	10.7
247.13405	0.6
257.15570	0.8
287.16718	0.5
287.81235	0.5
289.18060	0.8
321.14975	0.6
331.19391	1.8
342.98486	0.4
349.14636	1.2
349.20212	3.3
371.98032	0.5
377.19821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46749	2.8
57.03346	4.3
58.00500	2.4
58.52614	2.4
59.01264	100.0
60.01587	3.0
61.98716	7.6
69.62191	3.0
71.01269	45.6
71.04918	2.4
71.56040	4.2
72.99201	7.7
73.02844	10.1
74.90941	2.8
75.00769	5.7
85.02834	16.9
87.00786	7.1
89.02335	38.1
90.40064	2.8
93.03381	6.0
95.01317	4.6
95.04928	21.2
99.00738	4.1
99.04425	32.2
101.02350	29.4
104.19759	2.8
109.06502	6.8
113.02335	19.2
119.03444	11.1
121.06497	15.0
123.04465	15.0
123.08041	4.2
125.02354	2.7
134.03639	5.0
145.02911	2.7
147.04451	12.8
149.04562	3.1
151.07599	5.6
159.07930	2.8
160.01677	3.8
161.04590	6.0
161.06036	11.4
163.03973	3.3
165.05467	4.3
175.04007	7.5
177.09172	69.1
178.09497	6.6
179.07097	66.6
180.07434	6.4
183.06590	5.5
191.05585	7.6
193.04991	5.2
195.10219	10.0
195.71849	2.6
201.11357	6.5
239.09290	25.9
276.30255	2.7
377.18430	3.0
401.14713	20.4
437.16345	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	437.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.1
55.05899	0.5
57.03339	4.7
58.00469	1.0
59.01271	25.2
59.25180	0.5
68.99707	0.8
69.03344	1.6
70.29377	0.6
70.29710	2.1
70.73030	0.6
71.01275	26.9
71.13913	0.5
71.58369	0.5
72.99198	5.0
73.02835	3.4
75.00769	32.6
83.01286	3.3
84.02090	0.8
85.02848	31.2
86.03191	0.9
87.00780	10.0
89.02348	9.7
93.03333	0.8
95.01289	3.3
96.45624	0.6
97.02841	0.8
99.00793	10.9
100.00327	0.6
101.02351	6.8
103.00266	0.7
108.02016	0.6
108.23735	0.5
111.00800	0.6
113.02363	29.9
114.02701	0.9
115.00273	2.0
115.91980	3.9
116.92770	2.4
117.01849	1.4
119.03397	2.5
119.04891	0.8
125.02342	0.7
129.01892	0.8
131.03416	2.1
134.03610	0.8
149.04526	0.7
154.15575	0.5
157.01436	1.1
162.75493	0.5
163.03932	1.6
173.04497	3.3
175.02466	3.2
177.09131	0.5
179.07076	0.7
191.05605	5.8
210.97021	0.7
228.98047	0.7
319.14047	1.0
384.74728	0.6
407.00717	0.7
419.15778	1.0
437.16727	100.0
438.17062	13.5
456.50198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01605	1.9
71.01270	12.1
71.14988	2.0
73.02840	2.7
83.01276	2.3
85.02835	6.2
85.59880	1.1
87.00776	4.5
88.98725	1.3
89.02355	3.6
96.95950	2.1
99.00792	1.3
101.02353	7.1
113.02344	3.9
119.03408	2.3
132.02089	5.2
133.02863	1.5
134.03683	7.8
160.01604	22.9
161.04504	5.2
175.03969	34.2
176.04283	1.5
177.01883	9.6
193.05034	10.3
201.03998	3.0
238.83376	1.5
315.18179	8.4
357.19122	1.9
428.04620	1.3
437.10760	1.7
437.68301	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.8
58.46803	1.0
59.01265	100.0
61.98722	8.0
69.03345	1.5
71.01273	14.9
71.57220	1.1
72.99258	1.2
73.02842	6.1
78.95799	4.8
83.01302	2.2
85.02848	6.9
87.00784	13.4
89.02354	3.9
93.03339	1.8
96.95924	1.4
99.00779	1.5
101.02339	9.0
105.69447	1.1
108.25301	1.2
111.00816	1.2
113.02340	5.5
119.05038	1.1
135.04468	1.5
136.19014	1.0
141.01648	2.0
145.02921	5.6
160.01608	2.9
161.02414	2.0
161.04536	4.3
163.03976	1.4
175.03944	3.8
177.01831	1.5
179.03592	1.3
191.05562	2.5
193.05077	1.3
201.04121	1.3
248.06075	1.1
277.99557	1.0
299.02002	2.4
315.18091	6.7
357.19110	2.6
386.82443	1.2
437.22089	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84363	0.8
59.01266	100.0
59.64465	0.6
65.96815	0.7
71.01272	11.0
72.99187	0.9
73.02843	6.5
83.01281	2.3
85.02837	2.2
87.00769	2.5
89.02344	7.5
96.95921	1.7
98.20547	2.1
98.76842	0.7
99.92685	0.8
101.02352	10.6
113.02358	4.2
119.03423	2.3
143.03459	1.1
145.56436	0.7
149.04443	0.8
149.41837	0.8
161.04434	2.7
179.05551	1.2
191.05482	1.0
209.11800	0.9
215.14584	1.0
221.06584	0.8
233.15509	4.4
315.18201	1.6
357.12433	0.9
357.19183	1.1
395.20862	1.1
437.17841	1.2
437.68600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88644	0.7
59.01266	100.0
59.53065	0.7
60.01613	0.8
69.66893	4.3
71.01268	7.9
73.02834	4.1
78.05717	0.6
78.48210	0.6
79.91905	0.6
83.01276	1.6
83.49857	0.6
85.02843	4.2
87.00789	1.0
89.02378	0.8
96.95946	0.8
99.00792	2.0
101.02340	8.3
113.02359	4.0
145.02853	1.0
159.02972	1.1
161.04495	6.2
305.19754	1.0
315.18219	16.3
315.21738	1.0
316.18762	0.9
320.61661	0.8
357.19284	13.8
358.19748	1.8
364.98181	0.6
401.17938	0.8
421.66772	0.6
437.18484	0.9
437.23999	1.1
438.80142	0.7
456.13062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02964	3.4
57.03330	4.0
58.53937	4.5
59.00996	7.1
59.01270	100.0
61.46253	3.9
61.98718	6.2
64.60705	4.2
69.76561	29.1
71.01276	47.1
71.04917	4.8
73.02841	13.0
75.00763	5.9
85.02844	23.7
87.00786	8.9
89.02347	43.2
93.03353	6.4
95.01262	5.7
95.04923	11.1
96.95965	4.2
99.00773	9.9
99.04457	27.6
101.02353	35.7
111.00812	4.9
113.02368	19.1
119.03436	6.8
121.06485	11.9
123.04472	6.1
134.03670	6.8
147.04462	9.4
149.04498	9.7
149.05727	3.5
159.02931	5.1
160.01627	5.3
161.04604	6.8
163.08174	4.0
165.31429	3.9
167.37538	3.4
175.03981	7.2
177.09193	54.0
179.07112	49.5
183.06554	8.6
191.05621	22.2
193.05034	7.0
201.11389	4.7
239.09373	20.5
269.10352	9.4
305.16190	6.0
401.14655	45.3
402.14993	8.8
437.11633	35.3
437.15936	7.9
437.20682	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	437.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.8
57.03335	6.8
59.01266	71.6
69.03345	11.9
69.52398	14.5
71.01263	10.2
72.99174	3.3
73.02837	3.2
75.00767	1.7
81.03365	9.7
81.45943	1.7
83.01275	7.4
83.04942	3.3
85.02837	15.9
87.00774	95.4
89.02337	5.4
93.03370	10.3
95.01296	3.7
95.04899	2.9
96.95908	13.4
97.02845	7.3
98.19755	1.9
98.95490	20.3
98.96317	3.1
99.00777	6.5
99.04419	11.7
99.92493	14.3
100.93277	5.7
101.02375	4.8
109.02863	7.9
109.06512	9.1
111.00790	41.9
111.04420	6.3
113.02341	3.1
115.00249	2.3
115.91992	72.1
116.92007	3.2
116.92763	29.5
117.03356	10.0
119.04961	19.4
121.02863	7.3
125.02395	2.3
127.03967	11.0
129.01860	25.6
132.02115	11.5
133.02924	10.5
134.03674	100.0
135.04393	3.7
137.02361	5.4
137.62454	1.9
139.03928	3.5
141.01866	4.0
142.94327	4.7
145.02831	5.1
147.04449	4.7
148.05278	1.8
149.06010	16.8
153.01878	2.7
155.03468	1.8
160.01619	50.8
161.02394	9.3
161.04440	2.6
163.03961	15.4
163.83472	1.8
165.01822	2.3
168.95987	3.0
171.02966	27.8
173.04495	3.0
175.03973	72.6
176.04663	9.3
177.05330	1.9
178.02661	10.3
179.03415	3.7
183.02876	5.4
191.05589	44.2
191.07124	5.8
192.04245	2.2
192.05864	4.2
193.05034	91.1
194.05379	5.3
201.04051	15.7
201.11296	8.4
210.96974	14.6
217.05042	2.6
218.97581	2.8
228.98096	2.5
234.97058	3.2
235.06117	14.7
243.05064	9.9
246.97083	6.5
261.06116	3.6
262.96609	2.8
265.07220	30.5
291.08792	6.0
305.10248	3.2
305.16083	2.6
330.04446	1.8
333.09973	5.8
349.09421	1.8
357.00806	56.9
358.00998	14.0
377.08813	6.6
378.09070	2.3
384.81366	1.8
395.09952	13.4
437.11069	46.8
437.20120	3.0
438.11304	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	437.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42222	1.6
50.66923	1.9
57.03326	4.6
59.01265	63.2
65.03857	1.8
69.03349	9.7
69.80428	2.7
69.80840	7.5
71.01266	6.3
73.02802	2.0
74.66538	2.1
81.03352	6.8
83.01287	8.4
83.04896	2.6
85.02843	13.1
87.00772	81.0
89.02366	3.4
93.03364	5.0
94.38209	1.9
94.38744	1.7
95.01266	2.5
95.04924	2.2
96.16254	2.0
96.95942	2.6
97.02850	10.8
98.19898	2.3
98.95507	2.2
99.00771	3.5
99.04408	8.3
99.92496	3.0
101.02362	4.0
109.02879	5.1
109.06482	10.1
111.00795	38.1
111.04472	4.1
113.02316	4.0
115.91970	10.9
116.92775	5.1
117.03360	7.7
117.53886	1.9
119.04971	5.0
121.02837	4.4
127.03928	8.3
129.01868	25.3
132.02116	12.8
133.02870	7.9
134.03661	100.0
135.04205	3.3
136.01570	2.6
137.02342	5.2
139.03923	3.6
141.01852	3.6
147.04442	4.4
149.05995	22.6
160.01595	63.4
161.02422	9.4
163.03954	3.8
171.02940	29.5
173.04599	1.9
175.03964	76.2
176.04588	8.1
177.01889	3.2
178.02675	14.2
179.03362	3.8
183.02939	4.4
191.05583	9.7
191.07127	7.2
193.05026	81.0
194.05341	4.3
201.03983	13.2
217.05025	4.0
235.06108	15.2
243.05096	18.1
245.08168	2.0
246.97066	2.3
261.06229	3.6
265.07233	30.9
276.24176	2.0
291.08588	2.0
305.10446	2.7
333.09711	5.8
357.00763	7.5
358.00940	1.7
367.44260	1.8
377.08780	6.0
382.21500	1.9
395.09811	12.5
437.10938	39.1
438.11316	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.4
57.03328	1.0
59.01266	58.5
60.01597	1.1
61.98691	0.4
62.99199	0.4
69.03345	0.9
71.01270	8.2
73.02825	2.1
81.03369	0.9
83.01275	2.3
85.02835	3.9
85.03210	0.3
87.00768	3.7
89.02337	2.5
91.32741	0.4
91.85348	0.4
93.03369	1.7
95.01306	1.1
95.04943	0.8
96.95916	1.5
97.02858	2.1
98.20548	1.6
99.00795	1.3
101.02364	3.6
109.02866	1.6
111.00793	2.8
113.02356	4.7
117.03372	1.0
119.03384	0.5
119.04933	1.1
121.02858	0.9
129.01859	2.6
132.02103	14.5
133.02722	0.5
134.03673	16.5
135.03993	0.4
137.02351	1.1
139.03955	0.9
141.01973	0.5
145.02884	0.5
146.76100	0.5
147.04413	0.6
149.06004	3.6
153.01892	1.7
155.72346	0.4
159.02922	0.5
160.01619	67.8
161.01973	3.6
161.04503	2.3
163.03958	0.5
173.06038	0.4
175.03978	100.0
176.04286	6.8
177.01924	0.7
178.02663	3.3
183.02934	0.8
191.05562	1.6
191.07207	1.1
193.05048	26.4
194.05382	1.6
195.55963	0.4
201.02251	0.8
201.04034	9.7
209.11830	0.4
213.09088	0.8
214.09618	1.0
215.07190	0.9
217.05052	1.0
219.05127	1.1
230.12402	0.5
233.15405	0.5
235.06143	0.9
243.05013	1.1
261.06149	2.1
265.07214	1.6
266.07477	0.6
291.08530	0.4
305.19775	0.5
315.18222	4.7
333.09915	0.5
357.19360	0.7
377.08795	2.0
437.10901	10.3
437.18295	8.8
437.23944	1.5
437.68646	3.0
438.11581	1.0
438.18262	1.0
439.32144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29703	0.2
56.53762	0.2
59.01264	2.1
66.25265	0.2
67.01784	0.3
69.03342	0.7
69.37109	2.3
70.02074	0.2
71.01301	0.6
73.02857	0.3
81.03352	8.0
83.01267	1.8
85.02855	0.3
85.06493	0.9
87.00782	0.7
87.04419	1.6
90.25106	0.3
93.03361	0.5
95.01279	0.4
95.04926	12.4
96.05273	0.3
96.95913	3.9
97.02847	3.4
99.04414	2.9
101.02367	0.6
105.03381	0.4
108.02088	0.7
109.02863	0.4
109.06495	2.1
111.04427	5.3
111.08082	0.7
113.02338	0.3
115.91984	0.3
116.92782	0.4
121.02892	0.5
123.00839	0.5
123.03551	0.4
123.04446	6.7
123.08102	0.7
124.04846	0.3
125.02368	14.5
126.02734	0.4
127.07564	1.0
132.02078	0.3
134.03676	1.1
135.04411	0.3
137.02313	1.2
137.09645	0.4
138.03143	0.5
139.03915	1.6
149.02406	0.4
149.06012	0.9
150.03152	0.4
150.06813	1.6
151.00209	0.3
151.07596	6.8
153.05515	3.0
155.03474	0.3
160.01579	1.3
161.02423	0.3
162.03137	0.3
163.00372	0.3
165.01880	0.8
165.09166	11.5
166.09521	0.7
167.03453	33.1
167.07094	1.4
168.03801	1.5
169.08531	1.3
171.03244	0.3
174.32774	0.2
175.03944	1.2
175.07634	0.4
177.05521	0.6
178.02650	0.3
179.03455	0.5
188.24612	0.2
191.05542	0.5
191.07103	0.7
193.01405	0.3
193.05032	2.4
193.08723	2.9
193.19093	0.2
194.05434	0.3
194.09009	0.4
195.04800	0.6
195.06602	10.3
196.06886	0.8
197.04623	1.3
197.06184	0.3
201.11374	0.3
207.06604	3.0
209.08211	1.5
219.06552	0.4
221.08189	0.4
234.05415	0.3
235.06203	0.4
237.07701	100.0
238.08026	8.3
242.46959	0.2
249.07753	0.9
267.08798	10.0
268.09100	0.6
276.39441	0.2
279.08719	0.3
300.61108	0.2
317.03409	0.9
339.10910	1.5
347.11386	0.4
357.11984	18.7
358.12341	2.1
418.14960	0.3
437.07620	16.5
437.75620	0.3
438.07852	1.9
454.96790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	13.5
61.98706	1.4
63.02290	1.1
63.41098	0.3
63.84964	0.3
65.00213	1.3
71.01263	2.0
71.59671	0.4
71.60030	0.3
72.99174	0.3
73.02833	0.8
78.95793	0.6
81.44769	0.3
83.01285	0.9
85.02853	0.8
87.00762	2.4
89.02324	1.8
90.90676	0.3
94.86156	0.3
95.89796	0.3
96.95896	0.4
97.02838	0.4
101.02343	1.3
107.01276	1.8
108.02144	0.4
109.02874	1.0
110.10648	0.3
113.02303	0.8
117.03419	0.5
119.01263	0.4
131.04910	0.4
133.02872	3.8
133.06754	0.3
135.00789	0.6
135.04460	1.0
137.02376	7.3
138.02693	0.4
141.01636	1.0
143.04959	1.0
145.02904	0.9
147.00841	0.6
147.04478	0.7
151.00316	2.9
152.99530	0.3
155.04932	0.5
157.02896	0.9
159.04427	0.5
161.02400	1.5
161.06097	0.3
162.19290	0.3
163.03981	0.4
171.04497	2.7
173.02390	0.8
175.03955	1.6
176.04158	0.3
178.99776	0.5
179.03436	0.7
183.04439	0.7
187.03990	1.6
191.05591	0.7
197.02502	0.5
198.03117	1.1
198.45483	0.3
199.03998	7.2
200.04393	0.7
201.01920	2.4
202.02271	0.4
203.03503	0.6
214.02623	0.4
215.03499	3.1
226.02701	2.0
227.03506	4.1
228.03784	0.3
242.02225	1.0
243.03027	6.6
244.03391	0.4
245.34166	0.3
254.02286	0.4
255.03020	2.4
271.02542	53.8
272.02908	4.8
299.02039	100.0
300.02448	9.8
301.03607	3.0
368.97534	0.4
395.16553	0.5
395.21014	0.6
437.22235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54987	0.5
57.03329	2.4
59.01264	5.8
59.98396	1.5
60.99189	1.0
61.98710	0.6
69.03343	3.3
70.73844	0.5
71.01276	0.6
71.04897	3.2
71.58009	0.8
72.99194	5.5
75.00752	2.3
78.95787	1.8
83.04913	17.3
87.00778	1.4
99.03816	0.7
99.04420	8.9
99.08038	1.5
100.04742	1.0
101.02338	1.6
101.05984	63.2
102.06313	1.8
111.04435	2.6
116.92765	2.3
117.01864	0.7
117.05395	0.5
119.04903	0.6
121.06497	1.6
123.08064	1.0
125.09664	1.4
134.63464	0.5
149.09677	1.1
152.99507	1.6
163.11209	0.8
167.14400	0.8
175.11206	0.8
189.12849	2.3
203.60100	0.5
233.15369	1.0
257.18958	0.7
267.22382	1.3
271.20697	0.7
273.19272	0.7
273.22241	3.8
287.20526	0.7
289.21774	1.7
290.22141	0.8
291.23349	0.6
299.20023	0.8
301.18024	1.0
301.21558	0.9
307.22836	0.8
317.21332	4.0
318.21713	0.9
319.22641	1.1
321.23767	0.6
333.20944	0.7
335.22394	1.0
353.18811	0.7
357.28006	7.3
358.28421	1.0
389.23383	1.7
389.27533	1.3
401.27051	3.4
402.27661	1.5
435.27563	100.0
436.27899	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	435.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.6
59.01268	5.8
59.98398	0.9
61.98711	0.7
69.03342	0.8
69.61999	4.2
72.99200	29.9
75.00764	11.0
77.32016	0.5
78.95809	2.8
80.96246	0.7
83.04916	13.3
87.00837	0.7
97.14123	0.6
99.04420	4.6
101.05985	23.2
102.06330	0.8
120.26790	0.6
121.06499	8.8
125.09631	0.6
147.08154	0.6
152.99527	3.3
153.99892	1.3
154.99959	2.1
176.58730	0.5
191.05621	0.7
236.39592	0.5
245.11914	0.5
271.20718	1.2
272.80063	0.6
289.21765	3.2
315.19781	1.2
335.22256	2.0
357.28082	1.6
366.58231	0.6
417.26370	0.9
435.27588	100.0
436.27972	15.4
442.92044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2763
Annotation	Erigerol
Peak:m/z	Relative Intensity
50.91609	0.8
57.03332	2.0
57.87496	0.8
59.01265	10.7
59.98406	1.3
69.03339	3.0
71.04910	3.5
71.58585	0.9
72.99187	5.5
75.00756	2.6
78.95791	2.8
80.96265	1.1
83.04916	15.1
87.00773	1.0
89.58546	0.8
97.06511	1.3
97.29989	0.9
99.04411	7.0
99.08072	2.5
101.05985	68.5
102.06335	1.4
110.33875	0.9
111.04409	2.9
116.92737	1.5
121.06534	1.7
123.08084	1.5
125.09666	1.2
135.04469	0.9
136.21700	0.8
152.99561	2.6
175.11230	1.8
184.95811	0.9
189.12779	2.5
222.32100	1.0
265.21680	1.1
267.22592	1.6
271.20728	1.4
273.22345	3.5
283.17111	1.2
289.21652	2.0
317.21201	2.9
335.22433	2.0
357.28082	7.5
389.27057	2.0
394.42059	1.1
401.27124	4.6
417.26578	1.3
435.27603	100.0
436.27979	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	435.2761
Annotation	Erigerol
Peak:m/z	Relative Intensity
57.03322	0.6
59.01268	5.8
59.98398	0.9
61.98711	0.7
69.03342	0.8
69.61999	4.2
72.99200	29.9
75.00764	11.0
77.32016	0.5
78.95809	2.8
80.96246	0.7
83.04916	13.3
87.00837	0.7
97.14123	0.6
99.04420	4.6
101.05985	23.2
102.06330	0.8
120.26790	0.6
121.06499	8.8
125.09631	0.6
147.08154	0.6
152.99527	3.3
153.99892	1.3
154.99959	2.1
176.58730	0.5
191.05621	0.7
236.39592	0.5
245.11914	0.5
271.20718	1.2
272.80063	0.6
289.21765	3.2
315.19781	1.2
335.22256	2.0
357.28082	1.6
366.58231	0.6
417.26370	0.9
435.27588	100.0
436.27972	15.4
442.92044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2764
Annotation	Erigerol
Peak:m/z	Relative Intensity
59.01263	8.2
60.01591	1.0
60.27079	0.5
61.01675	0.6
63.61581	0.5
67.85937	0.5
69.03323	0.7
70.42073	0.5
71.01259	0.9
71.57889	0.9
72.99200	30.7
75.00762	12.5
75.01191	0.6
78.95785	2.5
83.04926	0.6
85.02840	0.5
87.00754	1.1
91.10327	0.5
93.03370	0.8
99.04425	7.6
99.05020	1.0
99.59533	0.5
100.04716	0.8
101.05991	6.1
102.06337	0.9
102.51510	0.5
103.06382	0.7
113.02303	0.7
125.41965	0.5
135.04449	1.1
152.99501	2.0
154.99878	0.7
161.02422	0.6
179.12193	0.5
191.05621	1.0
207.31462	0.6
307.22186	0.5
319.22949	2.0
335.22424	5.7
391.24677	0.8
435.27600	100.0
436.27969	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	435.2763
Annotation	Pancherin B
Peak:m/z	Relative Intensity
57.03342	6.6
59.00994	0.9
59.01269	13.5
61.98705	1.0
69.03353	2.0
71.01270	1.5
71.04903	2.9
71.60670	1.2
72.70535	0.7
73.02865	0.8
81.03354	7.3
83.04907	1.6
84.02088	0.8
87.04413	14.2
97.06477	0.8
99.04424	100.0
100.04741	3.1
101.05972	1.0
123.08055	2.2
138.44228	0.7
141.65944	0.7
159.11482	0.7
245.19177	1.0
247.20705	1.2
265.21753	2.1
273.22360	4.2
291.23361	10.5
292.23688	1.8
293.21149	1.0
307.22864	1.3
309.24442	9.6
317.21414	1.3
335.22363	44.1
336.22662	5.2
353.23425	91.2
354.23721	11.6
435.27609	39.5
436.27863	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	435.2762
Annotation	Erigerol
Peak:m/z	Relative Intensity
57.03340	6.2
57.71577	0.4
59.01264	6.9
60.01608	0.7
66.86427	0.5
69.03336	2.2
70.02433	1.0
70.02832	1.3
71.01274	0.9
71.04908	1.9
73.02827	0.8
81.03343	6.2
83.04916	1.9
85.02829	0.7
87.04414	11.6
99.04418	100.0
100.04749	2.7
101.05977	0.6
101.51254	0.5
121.06594	0.5
123.08085	1.2
145.25482	0.4
152.99562	0.7
161.02388	0.5
190.74359	0.4
217.65382	0.5
247.20605	1.3
257.19110	1.1
265.21744	3.3
273.22263	3.8
289.21799	0.8
291.23346	9.2
292.23743	1.1
293.21353	1.2
305.21252	2.0
309.24435	7.1
310.24832	0.5
317.21307	2.1
335.16525	0.6
335.22339	41.1
336.22784	5.1
353.23401	78.4
354.23734	10.1
391.28992	1.0
435.27603	40.7
436.27966	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	435.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01594	2.4
61.98732	3.4
84.77090	2.1
85.11643	2.1
96.95921	2.7
98.20548	5.7
99.04422	5.7
101.05992	10.0
114.27665	2.2
257.05725	2.5
298.71011	2.4
375.21701	3.3
435.27283	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	435.2527
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
51.35398	0.1
53.92145	0.2
59.01273	0.8
59.13516	0.1
69.52863	0.3
69.53268	1.0
77.97362	0.2
78.95794	47.5
91.40926	0.1
96.29371	0.2
96.96867	5.9
98.20590	0.3
110.98433	0.3
125.90468	0.2
146.58853	0.2
150.97974	1.4
152.99525	100.0
153.99873	1.9
160.84544	0.2
164.98013	0.1
171.00601	3.9
192.30794	0.1
199.03821	0.2
267.23373	2.3
268.23654	0.3
281.24875	1.2
290.80289	0.2
334.70081	0.2
339.84042	0.2
435.25244	10.1
436.25577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53278	0.2
59.01265	100.0
60.01599	1.8
61.01693	1.4
64.34186	0.2
69.45610	1.7
71.01262	1.6
73.02843	0.7
76.60643	0.2
83.01287	0.2
85.02848	0.7
89.02331	0.9
98.19719	0.4
101.02333	1.3
104.78656	0.2
113.02380	0.7
119.03440	0.3
125.02363	0.3
161.04497	0.5
192.44960	0.2
245.57826	0.2
281.91171	0.2
333.19223	2.2
334.19431	0.2
375.20474	1.3
435.22217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01603	0.9
61.98726	0.3
62.23171	0.2
64.76553	0.2
69.44829	0.4
69.45248	0.9
71.01276	1.8
73.02855	0.6
74.61449	0.1
83.01280	0.2
85.02850	0.7
89.02332	0.9
90.63685	0.1
93.03384	0.2
101.02353	1.1
107.92447	0.2
112.45206	0.1
113.02354	0.9
119.03415	0.2
136.43199	0.1
142.20403	0.2
143.03496	0.2
161.04520	0.8
191.05649	0.3
245.30135	0.2
300.20755	0.2
315.18320	0.2
333.19321	2.5
334.19507	0.2
372.55292	0.2
375.20389	1.2
435.22531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44714	0.3
55.01765	1.0
57.03331	0.8
58.00481	3.3
58.75909	0.3
59.01265	77.6
60.01600	1.0
60.71206	0.4
65.91843	0.3
67.01759	0.4
69.03344	0.8
71.01271	65.1
71.58570	0.5
72.01611	0.7
72.99207	3.7
73.02836	17.5
75.00728	0.7
81.03353	0.4
83.01289	2.3
85.02843	8.1
85.16050	0.3
87.00752	2.3
89.02337	100.0
90.02660	1.5
93.03369	0.5
95.01283	2.4
97.02832	1.6
99.00780	32.1
99.04426	0.4
100.01133	0.6
101.02348	40.5
102.02676	1.4
107.95631	0.3
109.02895	0.3
112.22139	0.3
113.02358	14.0
114.02704	0.4
114.21870	0.3
115.03901	1.1
117.01859	0.4
119.03426	11.1
119.04793	0.4
125.02372	5.7
131.03430	18.0
132.03761	0.4
135.04399	0.3
143.03458	2.6
149.04500	61.0
150.04834	1.8
161.04500	3.9
165.01888	0.3
168.24152	0.3
177.01884	1.3
179.05585	4.5
191.05583	17.1
192.05988	0.8
213.14969	0.5
221.06671	3.1
233.06693	1.2
248.46449	0.3
251.07787	4.7
275.07758	0.5
293.08859	0.8
303.18121	1.0
313.18176	0.6
343.33487	0.3
435.22412	26.2
436.18494	0.3
436.22830	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93217	0.2
52.19551	0.2
57.03348	0.3
59.01267	51.6
60.01607	0.7
61.98726	0.8
69.87884	0.3
71.01280	2.5
72.99198	0.3
73.02849	0.7
75.39136	0.2
85.02850	1.3
87.00798	0.3
88.50204	0.2
89.02343	1.2
95.01264	0.5
101.02367	1.6
101.02953	0.3
113.02364	3.0
119.03428	1.0
121.84428	0.2
135.04454	0.4
161.04520	0.9
173.04605	0.4
176.32913	0.2
183.13884	7.0
184.14236	0.6
191.05615	0.7
195.13885	6.8
196.14175	0.5
197.15437	0.2
208.66949	0.2
209.15465	0.3
213.14960	100.0
214.15292	7.0
221.93336	0.2
223.17043	0.4
227.16586	1.0
237.15063	0.3
249.15099	0.4
255.16028	1.2
267.16064	0.5
283.49893	0.2
375.20612	0.3
435.26294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2245
Annotation	HC-toxin
Peak:m/z	Relative Intensity
51.82375	0.3
55.01757	0.4
57.03333	0.9
58.00472	1.0
59.01264	30.3
60.01590	0.6
60.09486	0.3
61.01691	0.4
67.36335	0.3
69.42975	1.1
69.43405	1.4
71.01270	15.3
72.01587	0.3
72.99201	1.4
73.02827	1.4
81.03350	0.8
81.39520	0.3
83.01274	1.1
83.04916	26.4
84.05249	0.7
85.02371	0.4
85.02848	4.2
87.00773	1.2
88.37962	0.3
89.02335	13.6
93.03367	0.6
95.01283	1.3
97.02856	0.6
99.00761	0.4
99.08049	0.4
100.36322	0.3
101.01697	0.6
101.02348	10.6
101.06023	0.5
111.04508	0.4
113.02355	5.3
113.83847	0.3
119.03425	7.0
125.09631	1.4
126.69005	0.3
127.03946	0.4
131.03444	0.7
133.02885	0.3
143.03394	0.7
145.04956	0.4
149.04497	0.4
151.00302	1.1
155.10748	2.9
161.04485	1.2
161.13374	0.4
163.14838	1.6
167.68007	0.3
171.10187	0.3
179.03421	0.3
179.04184	0.3
179.05521	1.9
191.05557	2.6
193.16031	0.4
211.17120	0.3
237.14923	0.6
249.52267	0.3
254.23575	0.3
255.16052	23.9
256.16415	1.8
272.03265	4.8
273.03925	1.3
273.17169	2.8
400.88312	0.3
417.21252	0.6
435.10083	2.6
435.22427	100.0
436.10004	0.4
436.22772	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	435.2032
Annotation	Leopersin N
Peak:m/z	Relative Intensity
50.01003	0.5
57.03335	11.9
59.01265	15.3
59.98409	0.6
60.01587	0.6
61.98712	0.7
69.03342	1.9
71.01253	2.4
71.58843	0.7
73.02819	1.2
83.01261	0.9
83.04913	3.8
85.02835	4.1
87.00769	100.0
87.89175	0.5
88.01092	0.9
93.03360	2.4
97.02836	1.4
99.04417	9.2
100.04760	0.4
101.02349	2.9
105.01809	0.6
109.02885	0.7
112.20724	0.5
113.02368	0.8
115.03845	0.7
118.55461	0.6
120.99551	3.3
123.08053	0.7
124.05241	0.6
125.02347	2.2
133.02843	0.6
135.11739	2.1
153.09160	1.2
161.02373	0.6
169.02174	0.8
177.80263	0.5
191.05582	3.2
243.17671	0.5
256.04858	4.8
261.18628	0.6
267.06833	0.6
285.18643	1.0
291.18130	2.6
295.06143	0.7
303.19708	23.1
304.19983	2.6
319.22824	1.4
321.20795	4.4
322.21021	0.7
329.43198	0.5
339.05151	1.8
347.18750	2.2
347.22495	0.7
391.21344	23.0
392.21677	3.4
435.20276	92.7
435.67795	0.7
436.20636	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	435.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43640	0.2
59.01266	100.0
60.01601	1.2
61.10094	0.3
69.27901	2.8
69.29829	0.2
71.01277	0.9
73.02840	0.4
85.02859	0.6
89.02351	0.3
101.02375	0.9
113.02386	0.3
161.04558	0.9
333.19263	1.7
341.79083	0.3
375.20041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98199	1.5
59.01265	100.0
61.98720	4.5
70.01051	2.5
70.01472	6.8
71.01273	38.6
72.99186	2.0
73.02836	59.6
83.01276	15.8
85.02853	5.4
87.00796	2.0
89.02338	11.6
93.03345	3.4
99.00737	1.5
99.77309	1.6
101.02348	44.7
113.02362	9.0
119.03420	3.9
119.04926	2.7
122.65256	1.5
131.03421	3.0
132.05725	5.0
135.04411	1.6
143.03450	3.1
145.02916	1.9
149.04510	2.3
154.04353	1.5
155.03476	2.1
161.04506	8.5
164.04727	3.4
169.12350	3.7
187.11232	10.0
187.13181	1.8
188.11542	1.8
191.05635	5.4
200.71863	1.7
231.10260	17.5
252.36403	2.0
333.19321	2.2
334.14389	1.7
343.45709	1.7
347.18619	2.0
349.18661	5.4
391.19824	48.9
392.20328	6.0
440.87482	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	435.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54806	0.1
55.01773	1.7
57.03338	0.5
58.00487	0.3
59.01267	100.0
60.01600	1.2
61.01678	0.1
61.98734	0.1
67.01775	0.3
69.03350	0.4
69.51682	0.7
69.52092	0.4
71.01273	7.7
72.01620	0.2
72.99203	1.1
73.02840	2.6
75.00765	0.4
81.03360	0.4
83.01289	0.7
83.04934	0.6
85.02850	4.9
85.03361	0.3
87.00778	3.5
87.01272	0.2
89.02339	7.3
93.03357	1.7
95.01310	0.5
95.04938	0.2
97.02870	0.6
97.06547	0.2
98.19768	0.3
99.00779	2.1
99.04427	0.2
99.13254	0.1
101.02354	5.9
105.22726	0.1
107.04933	0.2
108.02113	0.3
109.02894	0.4
111.00839	0.2
111.04455	0.4
113.02360	4.9
117.03409	0.2
118.13170	0.1
119.03419	1.5
119.04923	1.0
121.02863	0.2
123.04440	1.1
125.02390	1.1
125.06008	0.8
127.03967	0.2
129.01866	0.9
131.03438	2.5
133.02856	0.2
135.04436	0.3
137.02451	0.4
139.04001	0.6
141.05547	0.5
143.03458	0.6
145.02902	0.6
149.04480	1.8
151.03992	0.4
153.05577	0.3
155.03462	0.2
161.02374	0.2
161.04544	0.5
163.03949	0.5
167.03569	0.2
169.05025	0.5
173.04518	2.1
177.01843	0.1
179.05634	0.6
185.11836	0.2
187.27011	0.1
191.05595	2.8
197.04599	0.2
203.05667	0.4
211.17056	0.4
213.09288	0.2
213.14978	0.4
215.05659	0.3
231.10284	0.3
233.06668	2.6
251.07835	0.3
255.16183	0.6
257.08432	0.2
293.08987	0.2
319.08383	0.2
375.16638	5.2
376.16754	0.6
393.17715	5.4
394.18277	0.3
426.13663	0.2
435.23035	2.7
436.22760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01394	0.4
58.25929	0.3
59.01263	3.8
64.56221	0.3
70.24614	0.3
71.01271	1.2
71.57880	0.4
72.99198	0.4
76.93405	0.3
79.95626	1.7
85.02837	1.6
87.00753	0.6
89.02324	0.4
93.03357	2.0
96.95911	100.0
97.95866	0.4
101.02375	0.4
111.04424	0.4
113.02377	0.5
113.92521	0.5
114.78387	0.4
114.93369	0.3
119.04955	1.0
127.93986	0.4
135.04417	0.3
137.02417	0.4
145.02838	0.5
151.03972	0.5
163.03949	0.9
171.05283	0.4
173.04509	1.3
179.16951	0.4
191.05585	25.8
192.05956	1.5
231.44600	0.3
337.09305	5.9
338.09720	0.6
355.01529	0.6
357.88000	0.4
387.41046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
59.01267	8.9
60.01595	0.2
61.98731	0.2
69.03347	0.4
71.01270	3.8
71.59558	0.2
72.99194	0.2
73.02839	3.9
78.95724	0.2
83.01280	1.1
85.02838	1.1
87.00771	1.2
89.02319	0.5
93.03320	0.3
94.16173	0.2
95.01266	0.3
97.02848	0.4
99.00785	0.3
101.02350	2.4
109.02897	0.5
113.02377	1.5
125.02393	0.2
130.04173	6.3
131.03488	0.2
131.04443	0.3
132.05733	3.2
133.02878	0.7
133.06058	0.2
134.03664	0.2
135.04395	0.9
137.02333	0.2
158.03679	17.4
159.03981	1.0
160.01483	0.2
161.02423	1.3
161.04469	0.5
161.09647	0.3
162.03175	3.1
164.04755	1.9
169.06560	0.7
170.07294	0.3
171.04414	0.2
172.05231	0.7
173.04430	0.3
178.02661	0.2
178.97452	0.2
179.03455	0.8
185.09694	3.6
186.10033	0.2
187.11253	6.0
188.11610	0.4
190.02692	4.8
191.03040	0.2
191.05544	0.7
195.08104	0.2
197.06035	0.6
198.06816	1.9
199.03905	0.3
200.04814	0.3
200.12048	0.4
201.04024	0.3
201.12793	0.5
204.04285	0.6
211.07643	0.5
213.09206	100.0
214.09537	7.6
215.03508	0.2
227.10742	1.6
229.12314	1.4
231.10284	11.1
232.10582	1.1
235.07661	0.3
237.09290	0.3
241.12428	0.5
243.02968	0.3
245.11937	0.3
255.10292	8.1
256.10638	0.5
259.13449	0.3
261.06067	0.2
265.08728	0.9
271.02524	1.6
272.03061	0.3
273.11304	0.9
285.11432	0.5
297.11481	0.4
299.02063	2.0
300.02765	1.6
301.03241	0.2
303.12445	0.4
375.14505	1.4
435.16431	4.8
435.29984	0.4
436.17047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01594	1.1
64.45916	0.2
69.31020	1.0
69.31441	1.5
71.01297	0.3
78.95791	5.7
78.96214	0.4
91.03908	1.2
92.04340	0.2
97.49007	0.2
99.04420	1.4
101.05976	2.3
110.98429	0.3
113.56181	0.2
147.04277	0.2
150.98123	0.3
152.99522	8.1
153.99896	0.8
154.99960	1.1
171.00597	0.5
173.89713	0.2
185.02161	0.3
191.05661	0.4
212.62051	0.2
219.31015	0.2
261.23398	0.2
265.21783	7.7
266.22195	1.0
289.21878	0.4
292.44727	0.2
299.25955	2.0
305.21436	0.8
373.18762	0.3
389.26752	0.2
433.26376	1.8
434.26099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3333
Annotation	(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid
Peak:m/z	Relative Intensity
51.77287	0.9
54.51780	0.8
57.03331	1.5
59.01263	34.4
70.66270	2.9
71.01300	0.8
78.95796	9.8
85.02839	1.3
96.96841	1.6
99.04422	4.7
101.02333	1.0
131.47945	0.9
152.99516	21.2
249.34235	0.9
270.55045	1.0
329.28461	4.0
331.17545	1.3
371.33459	1.3
389.34308	2.6
415.32181	3.5
422.23727	0.9
433.33295	100.0
434.33636	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	434.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	4.2
59.01261	9.6
59.98402	2.5
69.03342	1.7
69.49470	0.9
70.44169	4.2
73.73209	1.2
75.00763	1.0
78.95789	9.2
79.70615	0.8
80.96222	4.0
83.04912	3.2
97.02824	1.1
99.04419	100.0
100.04749	27.1
101.02368	1.7
101.04842	1.0
102.91199	0.9
109.49976	1.0
111.04423	3.4
115.03964	1.0
117.35308	0.9
121.06526	7.5
122.06838	2.3
149.09659	4.0
150.09988	2.0
152.99510	9.5
153.99872	2.9
154.99962	10.6
156.00281	1.7
159.35384	1.0
178.24385	0.9
233.15529	2.5
234.15852	3.1
272.21140	2.4
274.22641	3.2
286.18881	1.1
289.21771	1.2
290.22073	2.9
316.20105	2.1
318.21643	4.2
333.20740	1.2
334.21140	4.0
335.21680	1.3
356.26889	12.6
372.26233	2.0
400.25757	9.1
401.26566	3.6
416.25162	2.0
434.26364	89.3
435.26773	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2605
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
57.03322	3.8
57.71188	1.1
59.01258	18.2
59.98399	1.7
69.03341	11.9
69.47057	10.4
69.47362	1.2
71.04897	3.6
78.95783	9.9
81.03337	2.4
83.04926	3.3
97.02844	11.0
97.06493	3.8
99.04419	99.5
100.04768	2.2
101.02315	2.3
109.06564	1.1
111.04416	2.9
121.06499	4.2
123.08089	3.9
149.09639	2.5
152.99536	10.4
153.99876	1.4
163.11249	1.7
187.11255	1.7
205.16107	1.1
214.36882	1.1
219.17816	1.2
248.51666	1.1
257.41141	1.1
265.11731	1.3
265.21750	6.3
271.20789	1.5
273.22333	3.7
283.17081	1.4
289.21753	5.6
301.18411	1.5
307.22562	1.8
317.21436	5.4
333.20871	1.5
355.26511	6.5
373.90601	1.2
387.25555	4.0
399.25458	5.4
400.25958	1.5
433.26071	100.0
434.26331	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	433.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.8
58.44648	0.6
59.01265	21.8
60.99242	0.7
69.03345	7.5
71.01265	1.6
71.04900	1.8
71.05598	0.9
71.05954	1.3
73.02864	1.0
78.95798	1.4
79.16813	0.6
79.95703	0.6
83.01275	0.8
83.04918	1.0
97.06498	2.9
99.04421	100.0
100.04762	2.6
113.02364	39.1
114.02693	1.2
115.03913	2.8
121.05617	1.1
121.06513	21.8
123.08092	1.2
147.08113	1.1
151.11171	1.0
152.99516	1.5
163.11200	0.8
165.12784	0.8
196.33788	0.7
203.10861	0.8
219.17622	1.0
233.19128	2.0
271.20782	6.0
272.21371	0.8
273.18649	0.9
287.20361	0.7
289.21811	14.1
290.22052	1.2
291.19760	1.9
315.19720	3.7
316.19907	0.8
317.21075	0.9
319.22864	32.8
320.23166	4.2
333.20804	9.7
334.21106	1.7
351.21780	3.1
371.26035	5.1
372.26355	0.9
389.23315	0.9
415.25006	9.0
416.25101	0.9
433.26074	25.7
434.26297	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	433.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86996	0.4
57.03339	10.1
59.01266	15.1
61.98714	1.2
69.03353	3.0
69.42358	0.8
69.42764	3.7
71.01275	3.2
71.04911	0.8
73.02834	1.6
78.95790	0.6
81.03349	1.6
83.04928	2.3
85.02840	2.8
97.06493	1.0
99.04420	59.9
100.04745	1.9
101.02315	0.6
101.05979	1.9
107.04958	0.6
109.06491	1.7
111.08073	7.1
115.03909	1.3
121.06506	9.3
123.08078	1.4
147.08090	0.5
147.34052	0.5
149.09700	0.7
151.11282	0.7
152.99533	1.4
155.07204	0.6
161.09657	0.9
163.11189	1.8
165.12827	1.3
192.95737	0.5
219.17519	1.6
231.17587	0.6
233.19067	2.7
245.19072	1.0
247.51645	0.5
259.20728	0.7
261.22220	1.2
271.20721	1.6
277.21890	1.1
287.20236	0.6
289.21790	11.7
290.15277	0.5
290.22049	1.0
305.21298	0.6
307.22836	2.2
333.20764	6.5
334.21179	1.1
351.21851	5.3
352.22028	0.6
389.27014	1.9
415.24991	1.9
418.11258	0.5
433.26038	100.0
434.26382	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	433.2604
Annotation	Philadelphinone
Peak:m/z	Relative Intensity
54.03948	0.4
57.03330	1.8
59.01265	27.6
59.72090	0.5
68.98218	0.4
69.03337	3.8
70.32934	0.9
70.33302	0.9
71.01266	0.6
71.04910	1.2
76.82939	0.4
78.95812	0.8
81.03309	0.4
83.04918	6.1
85.02875	0.6
92.69160	0.4
93.07007	0.7
97.06515	2.2
99.04419	100.0
100.04765	2.6
100.93095	0.4
101.05977	3.3
109.06484	0.9
115.03928	0.9
119.04868	0.5
121.06512	4.9
123.08065	2.8
133.10207	0.6
135.11765	1.3
137.09642	0.7
138.84331	0.4
145.10202	0.8
147.08093	0.9
147.11736	11.4
148.12178	0.5
149.09608	0.6
151.11201	0.8
152.99577	1.0
161.09608	0.7
163.11229	5.8
165.12773	1.2
181.12245	0.5
187.11208	0.5
191.14392	0.6
193.15933	0.5
201.16418	1.1
203.14493	0.7
216.63268	0.5
217.15961	1.4
219.17572	1.0
226.59866	0.4
233.19113	5.1
259.20660	1.1
271.20688	4.6
272.21072	0.6
289.21817	18.3
290.22095	2.1
291.19824	0.6
305.21384	1.0
307.22955	1.0
308.23239	0.5
315.19797	0.6
317.21167	0.5
321.20596	0.5
333.20798	14.3
333.24661	1.0
334.21106	1.4
351.21857	7.1
352.22379	0.8
371.25928	3.1
389.27078	23.8
390.27396	3.1
415.24954	2.4
416.25571	0.5
433.26044	32.2
434.26398	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	433.2606
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
57.03336	5.5
59.01268	4.0
59.98407	1.4
69.03350	3.3
69.55224	2.0
69.55652	1.6
71.04897	0.8
78.95798	16.2
83.04918	2.8
85.02857	0.5
96.96882	2.0
97.02881	2.6
97.06482	1.3
98.03654	0.5
98.20529	0.9
99.04423	100.0
100.04736	2.9
101.02342	1.4
111.04449	2.3
111.08083	0.7
115.03963	1.3
121.06519	6.3
123.08069	1.6
125.09662	1.6
132.19696	0.5
147.08099	0.8
149.09712	2.3
151.11198	0.5
152.99533	32.5
153.99872	1.4
154.99997	0.9
163.11258	0.9
165.12773	0.5
171.00604	1.6
173.09776	0.5
187.11266	0.7
203.14381	0.9
210.63879	0.5
219.17583	1.0
233.15498	3.4
237.60425	0.5
245.19057	0.8
271.20804	1.6
273.22366	3.1
274.22556	0.7
285.18777	0.5
287.20142	0.8
289.21832	4.2
299.20395	0.8
301.21942	0.8
315.19727	1.2
317.21298	3.2
318.21826	0.7
333.20905	3.3
349.34323	0.5
355.26544	6.5
356.27042	0.7
363.66983	0.5
371.25983	1.1
389.27335	0.6
399.25494	4.9
400.26279	2.0
415.25092	1.5
433.26093	74.0
434.26434	11.8
435.67206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	3.7
59.01264	18.3
60.65148	0.4
68.63143	0.4
68.95991	0.4
69.03351	4.0
71.01267	1.2
71.04911	1.8
73.02842	1.1
81.03368	0.4
83.04905	7.0
85.02834	1.1
93.07026	0.7
97.06493	2.0
99.04419	100.0
100.04761	2.3
101.05983	4.5
105.07060	0.4
107.04938	0.7
109.06505	1.7
111.08070	2.5
115.03890	0.9
121.06492	4.2
122.54232	0.4
123.08073	4.6
133.02994	0.5
133.10170	0.8
135.11697	2.0
137.09624	0.7
145.10199	0.9
147.08102	0.8
147.11736	15.4
148.12070	1.0
149.09630	0.8
151.11267	0.8
152.99538	0.8
161.02371	1.1
161.09673	1.1
163.11240	8.5
164.11584	0.5
165.12842	1.6
179.10753	0.4
187.11229	0.4
189.12907	0.5
191.05576	0.6
191.14470	0.9
192.88472	0.4
200.74239	0.4
201.16452	2.1
203.14374	0.6
205.15953	0.5
209.07216	0.5
217.16008	1.7
219.17587	1.0
221.15546	0.5
225.81757	0.4
229.26303	0.5
231.17542	0.8
233.19147	1.2
271.20743	3.1
277.21640	0.5
287.20291	0.5
289.21817	4.7
290.22128	0.6
305.21274	1.6
307.22861	1.7
317.37357	0.4
333.20911	1.3
351.21991	2.0
371.25955	2.1
389.27063	31.4
390.27353	4.6
433.26059	58.1
434.26358	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	433.2607
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
50.37736	0.5
51.99418	0.5
55.56988	0.6
57.03327	2.1
59.01266	60.9
60.01606	1.0
67.01782	1.6
69.03344	50.6
70.03671	1.5
71.01268	2.1
71.04908	9.8
74.93996	0.5
78.95792	1.4
81.03299	0.5
83.04919	10.1
85.02836	4.8
85.06441	0.7
87.04417	1.0
90.37214	0.5
95.04974	0.6
97.02853	93.7
97.06493	1.8
98.03201	2.7
99.03812	1.0
99.04423	14.0
101.02333	1.2
107.04924	0.8
109.06509	0.9
111.04439	0.9
113.02368	1.8
115.03923	33.0
116.04273	0.8
121.02917	0.7
121.06508	16.0
122.06834	1.3
123.08080	2.8
125.09633	3.3
133.02846	0.7
147.11737	1.2
149.09668	1.3
149.13290	0.9
152.99521	1.2
161.02426	0.9
163.11269	1.1
165.12796	1.5
167.10712	1.7
167.14381	1.8
179.03470	0.6
180.14073	0.5
189.12857	0.7
191.05646	0.7
193.12286	0.6
201.16446	1.1
203.18048	2.5
219.17532	1.6
221.19032	0.9
246.46494	0.6
251.16489	1.6
269.36432	0.6
271.20712	1.4
273.22375	3.2
289.21802	9.2
290.22052	0.9
291.23288	2.6
317.21259	9.1
318.21652	0.6
319.22464	1.2
327.26947	0.9
335.22348	29.8
336.22800	4.5
389.22534	1.0
389.27023	7.4
390.27618	0.6
433.26035	100.0
434.26392	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2603
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
54.28683	0.6
57.03325	1.5
59.01263	79.8
61.98710	1.5
67.01774	1.8
69.01695	0.6
69.03342	41.7
69.30129	6.6
70.03680	1.1
71.01266	3.0
71.04885	1.2
73.02820	1.0
78.95831	0.7
81.03348	0.7
83.04907	2.6
83.99286	0.6
85.02842	3.7
87.00780	2.3
87.04408	9.1
93.03358	0.7
97.02850	100.0
98.03205	3.4
99.04417	7.8
101.02319	1.2
113.02345	1.8
115.03926	12.7
117.05473	1.1
119.05016	0.6
121.06512	23.8
122.06896	0.8
123.08067	1.8
125.09653	2.9
126.46227	0.6
156.74767	0.7
161.02385	1.0
161.04535	0.6
165.12730	0.7
167.14326	0.8
170.00453	0.8
191.05534	1.2
219.17574	1.1
257.19287	1.5
271.20807	3.0
273.22391	0.7
289.18521	1.5
289.21814	29.9
290.22195	4.0
291.23468	1.4
301.18237	2.2
317.21494	2.9
335.22354	35.0
336.22821	3.6
389.23019	3.7
432.79764	0.7
433.26370	42.4
434.26620	7.8
434.30917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	3.7
59.00996	0.9
59.01271	16.2
59.98394	1.6
60.99179	0.8
66.52803	0.6
69.03352	3.9
70.23460	2.9
71.04915	2.5
78.95821	0.8
81.03361	8.4
82.03702	1.2
83.04913	2.1
84.08830	0.6
85.02853	1.1
97.02849	1.3
97.06498	1.9
99.04425	91.6
100.04740	2.8
101.02341	1.2
101.05991	7.0
109.06560	0.7
111.04428	1.8
111.08088	1.0
113.02364	1.0
115.03924	4.9
119.04909	0.7
121.06520	26.0
122.06837	1.2
123.08089	2.5
125.09650	2.9
147.08110	1.5
149.09636	1.3
151.11230	1.7
152.99506	0.9
165.12773	1.0
187.11238	0.8
194.88980	0.6
203.10748	0.9
203.14366	2.2
219.17622	2.0
245.19138	2.2
271.20703	6.2
273.18903	0.6
273.22446	0.9
289.21793	12.2
290.22235	1.7
315.19751	2.7
319.22867	1.5
333.20853	2.4
355.26379	5.3
357.84991	0.6
371.26190	3.2
389.27182	1.1
415.24945	3.0
433.26071	100.0
434.26376	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	433.2607
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.86568	0.8
59.01269	27.3
61.55637	0.8
61.98737	0.8
70.03376	3.7
71.01302	0.7
71.04883	0.9
73.02862	0.8
78.95798	1.2
85.02872	0.8
92.43052	0.7
99.04419	16.7
113.02340	1.3
115.03931	1.7
117.03387	12.6
117.73771	0.8
119.04954	23.1
120.05273	1.1
121.02897	1.5
121.06529	4.8
121.14722	0.7
145.02896	100.0
146.03247	6.2
152.99512	1.7
163.03967	21.1
186.95633	0.8
217.38118	0.9
269.21442	2.2
271.20749	1.3
287.22318	7.3
289.21954	2.7
315.19809	1.9
318.62115	0.8
325.50366	0.8
333.20813	1.4
351.21841	4.7
360.06149	0.8
371.25928	1.9
413.64005	0.8
415.24777	3.0
421.81210	0.8
433.26050	49.5
434.26306	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	433.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.8
59.01267	8.3
59.64379	0.5
61.98351	0.5
61.98715	0.9
69.03003	1.0
69.03345	10.8
69.64419	2.2
69.64845	1.7
71.01264	1.3
71.04914	0.7
83.01283	0.9
83.04905	0.9
85.02843	5.4
95.04980	0.6
97.06501	2.3
97.99999	0.7
98.19824	0.7
99.04419	100.0
100.04745	2.0
101.05975	0.7
113.02359	48.3
114.02678	1.2
115.03907	1.3
121.02878	1.0
121.06533	1.1
148.39639	0.5
152.99487	0.8
163.11145	0.8
203.14397	0.6
233.19115	4.1
271.20737	1.6
273.18634	0.8
275.23715	1.0
289.21786	15.6
290.22165	1.5
291.19815	3.1
300.15601	0.6
300.98645	0.6
301.22079	1.0
319.22852	42.7
320.23212	5.8
333.20822	10.1
334.21082	1.4
351.21899	1.4
368.66858	0.6
371.26007	2.4
389.27075	1.5
415.24954	6.1
416.25067	1.0
433.26035	40.6
434.26312	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	433.2603
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
50.78057	0.4
53.11460	0.5
57.03342	2.6
59.01261	7.8
59.98402	0.6
61.88236	0.4
69.03344	7.5
70.72256	0.4
70.91748	1.3
71.04911	2.8
71.68241	0.5
78.95793	55.3
80.96220	1.3
81.96991	0.5
82.33723	0.4
83.04919	2.6
95.04889	0.6
96.96854	7.0
97.02848	7.2
97.06477	2.6
99.04419	72.6
100.04741	1.5
101.02346	0.9
101.05979	1.1
111.04436	1.9
111.08038	0.5
115.03915	1.7
118.49276	0.5
120.01072	0.6
121.06496	2.8
123.08082	2.5
125.09669	0.8
139.07486	0.5
149.09637	1.5
150.97981	1.9
152.99524	100.0
153.99873	4.1
154.99940	2.7
163.11249	1.4
165.12872	0.6
171.00577	5.2
173.41757	0.5
203.14485	0.6
233.15457	1.7
237.18591	0.6
245.19205	0.6
263.16608	0.6
271.20724	1.4
273.18967	0.5
273.22330	1.8
275.20215	0.7
279.23334	0.8
280.92767	0.5
287.20386	1.0
289.21735	3.3
299.20306	0.7
303.19647	0.9
307.22873	1.1
315.19833	0.8
317.21323	1.9
333.20840	2.0
355.26651	4.8
371.26068	0.7
387.25543	1.0
389.27014	0.8
399.25504	3.2
400.26093	0.6
433.26135	95.0
434.26468	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	433.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.2
58.00488	0.2
59.01268	100.0
60.01604	1.4
65.00214	0.4
71.01277	4.5
71.62695	0.2
72.99213	0.4
73.02840	1.9
75.00771	0.3
78.95802	2.0
83.01260	0.8
83.04900	0.2
85.02844	1.8
87.00769	0.8
89.02344	3.4
93.03377	0.9
95.01305	0.5
96.96876	1.6
97.02891	0.2
99.00794	0.4
101.02354	3.2
107.01314	0.6
111.00774	0.2
111.04420	0.2
113.02355	2.1
117.03349	0.2
117.30124	0.1
119.03442	1.1
119.04934	1.8
121.10196	0.2
125.02380	0.3
131.03442	0.3
133.02876	0.3
135.04475	0.3
139.11198	0.3
143.03479	0.3
145.02913	0.3
147.04530	0.2
149.04543	0.3
151.00311	1.9
155.03522	0.2
161.02414	0.4
161.04491	1.4
163.03935	0.4
167.14011	0.2
173.04607	0.6
177.01910	0.3
179.03470	0.3
179.05586	0.5
191.05588	2.5
193.12193	0.1
209.92033	0.1
233.09496	0.9
249.06157	0.4
265.08542	0.2
267.07254	0.4
271.03207	0.2
271.06201	4.7
272.06586	0.3
300.02878	0.2
314.29288	0.1
331.17694	0.5
338.17398	0.2
339.04926	0.2
373.18234	0.8
373.22647	1.1
374.22665	0.1
374.66867	0.1
391.19598	0.3
403.30438	0.2
415.19684	0.3
433.07956	0.3
433.20898	6.1
434.21039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87063	0.3
59.01265	58.1
60.01611	0.8
69.51204	2.4
71.01263	0.8
73.02840	0.5
78.95793	59.3
94.35424	0.3
96.96865	6.7
99.04436	2.3
100.41306	0.3
101.02342	0.6
113.02390	0.4
147.34770	0.3
150.97963	1.5
152.99525	100.0
153.99860	2.2
171.00598	3.0
279.23364	1.2
388.67929	0.2
433.23645	10.6
434.24173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74358	0.1
55.01774	0.2
57.03333	0.4
58.00210	0.2
59.01266	100.0
60.01606	1.3
67.05414	0.2
69.03350	0.3
70.90958	0.5
70.91337	0.2
71.01269	4.1
72.99217	0.4
73.02832	0.4
75.00771	0.8
77.15167	0.2
83.01263	0.3
83.43564	0.2
85.02843	1.6
87.00789	0.7
89.02345	3.8
93.03370	0.4
95.01308	0.7
99.00787	0.4
101.02353	2.3
103.00285	0.2
111.04456	0.8
113.02360	2.8
117.01798	0.2
119.03432	1.2
119.04955	0.3
129.01880	0.3
143.03450	0.4
145.02893	0.5
148.11258	0.2
149.04550	0.3
161.02443	0.2
161.04491	0.7
165.09210	0.2
173.04590	0.3
179.05620	1.0
183.10229	0.3
191.05646	0.8
249.06195	1.4
267.07266	3.6
331.17984	0.4
343.71051	0.2
373.18613	0.3
373.22687	0.3
391.61081	0.2
394.15823	0.2
415.16711	0.3
433.16733	2.5
433.25006	0.4
434.17389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
57.03345	0.2
58.96437	0.1
59.01266	100.0
60.01600	1.3
61.98720	0.5
63.98757	0.1
64.33895	0.1
67.01767	0.2
71.01272	2.4
71.58095	0.2
72.99192	0.1
73.02842	0.8
75.00754	0.1
78.95796	0.5
83.01302	0.3
85.02834	1.0
87.00776	0.5
89.02345	2.0
93.03353	0.8
95.91559	0.1
96.96879	0.4
99.00800	0.4
101.02346	1.4
111.04457	0.2
113.02366	1.3
117.03396	0.3
119.03448	0.4
119.04958	0.4
126.13009	0.1
133.02916	0.2
135.04471	0.3
143.03502	0.2
145.02859	0.9
149.04456	0.1
159.20245	0.2
161.02458	0.3
161.04492	0.8
173.04527	0.5
176.03967	0.2
179.03506	0.3
179.05643	0.3
183.10272	0.4
191.05606	2.2
193.18117	0.2
210.92822	0.1
233.09702	0.3
243.05460	0.1
249.06274	0.1
267.07361	0.3
283.82120	0.1
307.08112	0.3
331.17844	0.4
373.22519	0.8
433.11716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
58.00490	0.2
59.01265	100.0
60.01603	1.2
61.01696	0.2
66.32340	0.2
71.01267	2.1
71.12063	0.3
71.12403	0.2
72.99190	0.3
73.02872	0.2
75.00764	0.7
81.13670	0.2
81.73418	0.2
85.02854	1.8
87.00781	0.6
89.02332	1.2
93.03391	0.6
99.00826	0.3
101.02359	0.9
110.37908	0.2
113.02357	1.3
119.03448	0.7
124.01717	0.2
133.02881	0.4
134.03810	0.2
135.04453	0.6
140.86794	0.2
161.02428	0.9
161.04497	0.3
167.95691	0.2
173.04526	0.2
179.03560	0.4
179.05603	0.2
183.10345	0.7
191.05591	4.4
191.07144	0.3
192.05844	0.2
194.44771	0.2
209.46698	0.2
249.06201	0.6
267.07327	2.1
331.17996	0.3
338.04050	0.2
339.05276	1.5
340.05685	0.3
373.18939	0.3
406.39139	0.2
433.16412	2.3
433.32187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37109	0.2
59.01270	3.0
71.27975	0.2
72.44695	0.2
78.95795	49.5
79.62123	0.2
96.96864	6.0
98.20573	0.4
99.04449	1.8
125.73978	0.2
150.97989	1.6
152.99529	100.0
153.99896	1.8
170.01451	0.2
170.99202	0.4
171.00581	4.2
183.31110	0.2
265.19232	0.3
265.21732	1.6
279.23303	0.9
289.21783	0.7
433.17563	0.5
433.23532	7.6
433.30627	0.3
434.23785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.4
78.95796	52.7
82.26130	0.1
96.96865	6.7
99.04437	0.3
150.97968	1.3
152.99529	100.0
153.99858	1.9
156.76395	0.1
171.00606	4.5
265.21802	1.8
266.22305	0.2
279.23425	0.9
433.23697	8.4
434.24142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35129	0.4
51.70738	0.4
59.00993	0.7
59.01271	11.9
78.74181	0.4
78.95798	62.7
94.28662	0.4
96.96856	6.0
98.20658	0.8
99.04456	0.4
150.97986	1.4
152.99539	100.0
153.99873	1.9
171.00629	3.1
173.46330	0.4
178.15944	0.4
182.73849	0.4
229.30254	0.6
265.21808	0.4
279.23291	1.5
306.62088	0.6
433.23694	13.3
434.18573	0.5
434.23804	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2369
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01269	0.5
59.75451	0.2
62.96295	0.3
69.53655	1.5
69.53986	0.4
69.85201	0.2
78.95792	45.3
96.96862	5.8
99.04411	0.7
113.39413	0.2
150.97978	1.6
152.99533	100.0
153.99866	1.6
171.00595	3.6
279.23331	0.8
391.50647	0.2
433.23657	8.6
434.24002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45625	0.1
57.69686	0.1
59.01266	1.5
62.96274	0.2
71.06232	0.3
71.28665	0.2
74.59052	0.1
78.95795	66.1
96.96866	5.4
99.04441	0.2
106.36121	0.1
150.97961	1.8
152.99527	100.0
153.99875	1.8
171.00600	2.9
198.21132	0.1
256.89999	0.1
279.23340	1.8
318.91345	0.1
327.64288	0.1
413.71231	0.1
433.23691	18.1
434.23987	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	433.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70054	0.1
59.01266	100.0
60.01603	1.2
60.42629	0.1
67.01778	0.3
71.01282	1.1
71.60017	0.1
71.60391	0.1
73.02849	0.4
75.00758	0.1
78.95820	0.1
81.03380	0.1
83.04926	0.1
85.02856	0.9
87.00778	0.5
88.85571	0.1
89.02306	0.5
93.03358	2.1
96.95967	0.1
97.02899	0.1
99.00771	0.2
99.04441	0.2
101.02351	0.6
104.48725	0.1
108.02105	0.4
109.02894	0.2
111.04471	0.4
113.02370	0.5
117.97232	0.2
119.03459	0.1
119.04941	0.9
120.36786	0.1
120.43176	0.1
121.02901	0.4
129.01891	0.1
133.02975	0.2
134.03668	0.2
135.04462	0.4
137.02405	0.1
145.02940	0.2
151.00349	0.1
151.03984	0.1
152.01102	0.8
155.03470	0.2
157.08693	0.2
161.02434	0.4
161.04550	0.3
163.03960	0.9
167.03479	0.2
173.04514	1.2
179.03548	0.2
181.05054	0.2
191.05594	4.6
192.05879	0.1
193.05099	0.1
210.04825	0.1
229.01804	0.1
267.07306	0.1
272.88580	0.1
283.85324	0.1
295.06271	0.1
301.03662	0.2
331.17892	0.4
337.09641	0.1
339.05328	0.3
340.05432	0.1
373.18903	0.3
429.10641	0.1
433.12219	0.7
433.20755	0.9
433.62662	0.3
434.12347	0.5
434.21393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.3
57.03337	0.3
59.01268	100.0
60.01608	1.2
61.98727	0.3
63.18279	0.2
66.16269	0.2
69.03362	0.2
69.42387	1.8
71.01275	5.8
72.99214	0.3
73.02841	2.1
73.04205	0.2
75.00771	0.4
78.95813	0.5
83.01280	0.8
85.02848	2.9
87.00784	0.7
89.02343	2.2
93.03380	0.7
95.01310	0.4
99.00796	0.6
99.31249	0.2
101.02351	4.8
102.98495	0.2
113.02349	2.6
119.03438	0.7
119.04947	0.4
125.02344	0.3
125.98470	0.2
143.03430	0.3
145.02916	0.3
155.10725	0.3
159.03027	0.5
161.04506	2.6
173.04523	0.6
179.03566	0.3
191.05617	2.3
192.05920	0.3
199.09760	0.3
203.05646	0.3
208.37242	0.2
313.16660	2.2
331.17688	7.3
332.18109	1.0
347.20978	1.6
373.18622	3.5
374.19098	0.6
433.20575	0.7
433.25668	1.1
434.25525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87113	0.2
59.01265	100.0
60.01596	1.2
61.99545	0.2
64.99354	0.2
65.66118	0.2
69.03324	0.3
71.01276	1.2
71.56075	0.3
72.54844	0.1
72.99207	0.5
73.02837	1.3
75.00762	14.7
83.01318	0.3
85.02866	0.6
87.00788	0.5
89.02360	0.7
91.15781	0.2
95.01321	0.2
97.02876	0.4
99.00848	0.2
99.04444	0.2
101.02321	1.1
112.60017	0.1
113.02377	0.5
115.03902	0.2
119.03388	0.2
133.02927	0.2
134.03764	0.2
135.04471	0.3
152.99567	0.4
161.02449	0.7
161.04550	0.6
173.04625	0.2
179.03494	0.3
191.05626	0.6
229.18135	0.7
271.02521	0.2
299.02106	0.4
300.02728	0.2
331.17731	0.9
332.18219	0.3
335.22443	0.3
373.18872	0.7
407.72971	0.2
409.61649	0.2
433.26016	0.5
445.65924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01608	1.3
69.25518	1.9
71.01266	2.3
72.51000	0.2
73.02827	1.5
73.72472	0.2
78.95805	0.6
83.01299	0.4
85.02866	0.6
87.00758	0.2
89.02329	1.3
93.03395	0.5
96.96894	0.5
99.60856	0.2
99.82407	0.2
101.02345	2.5
113.02364	1.4
114.18860	0.2
119.03452	0.5
131.03448	0.2
133.02917	0.3
135.04475	0.4
143.03481	0.3
149.04483	0.4
159.32433	0.2
161.02428	0.7
161.04530	0.9
173.04562	0.3
179.03479	0.4
179.05618	0.3
191.04080	0.3
191.05568	1.6
195.06711	0.4
233.09560	0.3
280.83508	0.2
300.02884	0.4
301.03653	0.2
313.16800	0.4
331.17838	0.5
339.05450	0.3
352.08206	0.5
352.57681	0.2
373.18787	1.0
433.08179	0.4
433.20694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46359	0.4
56.39828	0.4
59.01266	100.0
60.01609	0.9
68.39688	0.4
68.69715	0.4
69.94331	2.5
71.01273	1.6
73.02864	1.0
75.00763	17.8
85.02866	0.7
89.02385	0.7
95.58500	0.4
98.20450	0.7
99.04445	0.6
101.02366	1.2
113.02376	0.8
139.82561	0.4
147.04794	0.4
157.22263	0.4
159.34676	0.5
159.65332	0.4
161.02444	0.7
161.04497	0.8
191.05693	1.2
271.02386	0.5
280.58148	0.4
299.02124	0.6
316.47360	0.4
331.17761	1.3
361.91559	0.4
373.18866	0.7
433.25333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61757	0.2
59.01267	100.0
60.01601	1.0
71.01276	1.3
71.16730	0.4
83.01289	0.3
83.04929	0.5
85.02850	0.8
87.00787	0.3
89.02351	0.9
93.03366	0.4
99.00817	0.2
101.02341	0.9
111.04481	0.2
113.02384	0.4
119.03444	0.3
119.04986	0.3
127.03957	0.2
133.02908	0.6
135.04488	0.8
159.45450	0.2
161.02373	1.7
161.04495	0.2
173.04533	0.4
173.16383	0.2
179.03558	0.5
191.05600	4.2
192.05948	0.5
202.68364	0.2
211.12019	0.2
229.01360	0.3
247.41373	0.2
250.60692	0.2
253.14571	0.7
265.05392	0.2
267.06625	0.2
281.00061	0.2
295.06244	0.3
313.07343	0.9
331.18094	0.3
339.05179	1.0
342.58862	0.2
352.08395	0.2
353.09003	0.3
382.87766	0.2
391.23987	0.2
433.20932	2.7
434.21240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58281	0.2
59.01266	100.0
60.01599	0.9
71.01265	1.5
71.07278	0.4
73.02868	0.4
83.01291	0.2
85.02864	1.2
87.00792	0.3
89.02351	1.0
93.03374	1.2
95.01308	0.2
99.00795	0.2
101.02345	1.2
111.04443	0.3
113.02337	0.9
119.03439	0.6
119.04913	0.4
127.04009	0.2
129.01904	0.5
133.02939	0.3
135.04457	0.4
161.02402	1.0
161.04500	0.4
163.03989	0.7
173.04485	1.1
191.05580	5.6
192.05933	0.4
207.43001	0.2
243.66937	0.2
253.14709	0.3
267.06998	0.3
295.06226	0.2
327.08810	0.2
331.17877	0.6
339.05222	0.8
373.18970	0.3
380.04773	0.2
433.20584	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99723	0.3
59.01264	100.0
60.01599	1.4
65.54835	0.3
69.45323	1.5
69.45750	0.9
69.50604	0.3
71.01267	3.8
71.91920	0.3
73.02842	1.3
83.01281	0.7
85.02841	1.9
89.02348	1.1
97.06483	0.4
99.00798	0.5
99.69849	0.3
100.31984	0.2
101.02351	3.5
102.65869	0.3
108.02105	0.4
110.76915	0.2
113.02328	2.1
115.66885	0.3
119.03404	0.3
121.19368	0.2
152.01106	0.3
159.03011	0.4
161.04477	1.7
167.75023	0.2
179.05434	0.3
203.05637	0.3
233.10449	0.4
313.16580	1.4
331.17654	4.3
332.18060	0.4
373.18811	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66613	0.3
57.03330	0.9
58.00480	0.3
59.01266	100.0
60.01605	1.2
61.98703	0.4
63.02309	0.3
65.00214	0.9
71.01273	7.6
71.59626	0.5
72.99224	0.6
73.02844	3.1
75.00761	0.4
75.48572	0.3
81.03346	0.3
83.01286	2.5
83.04928	0.5
85.02855	4.3
87.00791	1.2
89.02337	3.9
93.03382	1.3
94.34750	0.3
95.01310	0.7
99.00815	1.2
101.02353	6.5
102.98531	0.7
107.01321	1.4
109.02898	0.7
111.00812	0.5
113.02342	3.8
113.02924	0.3
113.63150	0.3
119.03429	1.1
119.04935	0.6
125.02367	3.1
134.03702	0.4
135.04471	1.2
139.03943	0.4
139.11201	0.4
143.03485	0.6
145.02985	0.6
147.04468	0.4
151.00305	5.6
151.03967	0.5
152.00955	0.3
153.01935	1.0
159.03017	0.4
161.02406	1.1
161.04550	3.9
161.06023	0.8
163.03957	0.6
169.01445	1.5
169.12352	1.5
173.04588	1.4
178.99834	1.6
179.03552	0.5
179.05566	0.5
183.10298	0.4
190.71422	0.3
191.05598	6.5
192.05701	0.4
193.05066	0.3
197.11826	1.6
199.23482	0.3
203.05565	0.4
206.99411	0.6
211.13525	0.6
245.04707	0.4
249.06285	0.6
267.07379	0.4
273.04190	1.4
280.09705	0.6
281.09042	0.4
300.02899	0.3
301.03564	1.8
313.16623	3.7
313.19382	0.3
331.17694	10.2
332.18124	0.9
373.09683	0.5
373.18723	10.5
374.19199	1.3
415.10031	0.5
432.74695	0.3
433.11792	1.0
433.16800	0.8
433.25504	1.7
434.25180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15592	0.2
59.01265	100.0
60.01606	1.1
64.85050	0.3
70.35413	1.1
71.01270	4.8
72.99220	0.3
73.02834	2.0
83.01287	0.8
85.02861	1.9
87.00777	0.5
89.02338	2.6
95.01318	0.3
99.00791	0.3
101.02345	5.1
105.61740	0.3
113.02361	2.3
119.03441	0.9
125.02390	0.3
132.42256	0.3
135.04477	0.5
143.03473	0.5
159.02982	0.3
161.02412	0.5
161.04491	1.9
179.05457	0.3
191.05652	0.9
313.16718	2.6
331.17685	7.9
332.18161	1.0
373.18738	2.0
374.18909	0.4
389.25888	0.4
433.24731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
57.03338	0.5
59.01268	100.0
60.01601	1.1
61.67253	0.2
61.98709	0.3
67.01787	0.4
69.03367	0.3
69.36395	0.2
69.45820	1.7
71.01273	5.8
72.99223	0.3
73.02840	1.7
75.00741	1.0
81.03360	0.2
83.01286	0.7
83.04934	1.0
85.02852	2.9
87.00787	0.9
89.02338	1.5
93.03362	1.0
95.01292	0.6
97.02810	0.3
98.20630	0.4
99.00787	1.2
101.02360	4.2
102.98490	0.3
113.02377	3.2
119.03471	0.6
121.10151	0.5
123.28775	0.2
125.02401	0.3
129.01845	0.3
131.03407	0.2
132.70412	0.2
135.04424	0.2
139.11235	1.8
143.03444	0.4
145.02921	0.2
148.80911	0.2
151.00403	0.4
159.02904	0.5
161.04510	3.3
163.04044	0.3
173.04581	0.6
179.05620	0.2
183.10269	0.8
191.05618	2.3
229.10280	0.2
231.05197	0.3
234.01810	0.2
249.06197	2.3
267.07300	1.4
331.17694	1.8
373.12955	0.8
373.18631	1.5
373.22546	5.0
374.18787	0.3
374.22833	0.7
417.21402	0.2
433.16763	3.8
434.17291	0.6
454.26321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01601	1.0
60.84627	0.3
70.50149	0.5
70.50544	0.7
71.01283	0.7
73.02847	1.0
83.01292	0.4
84.68621	0.3
101.02374	1.3
108.55429	0.3
113.02333	0.4
122.15558	0.4
149.04576	0.4
161.04515	0.8
183.83792	0.3
413.23407	0.4
448.59647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98500	0.3
59.01266	100.0
60.01609	1.4
68.99688	0.4
71.01270	6.1
73.02837	2.7
75.00777	0.4
75.74331	0.3
76.10402	0.3
81.03391	0.4
83.01290	1.3
85.02847	2.5
87.00796	0.9
89.02335	4.1
95.01315	0.9
97.02827	0.4
99.00782	0.9
99.91492	0.4
101.02350	5.5
113.02359	2.1
119.03407	1.9
125.02333	0.4
133.02922	0.3
135.04436	0.6
143.03394	0.6
149.04509	0.3
151.00322	0.3
161.02373	0.7
161.04442	1.6
179.03525	0.5
191.05655	0.9
203.05687	0.3
219.29790	0.3
221.06744	0.4
230.85234	0.3
230.87344	0.4
249.06300	0.6
313.16748	1.7
329.23233	0.5
331.17670	6.9
331.21356	0.5
332.18051	0.5
347.24744	1.0
361.19037	0.4
373.18616	1.6
374.19446	0.5
389.25644	0.6
433.17648	1.2
433.24503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.4
59.01265	100.0
60.01604	1.2
61.23125	0.2
61.98717	0.3
67.01749	0.3
69.43191	2.3
71.01273	3.7
73.02839	1.6
75.00764	0.3
78.95786	0.3
83.01293	0.7
85.02845	2.0
87.00807	0.7
89.02364	1.0
93.03389	1.1
95.01317	0.3
96.96855	0.5
98.20618	0.5
99.00799	0.6
101.02351	3.7
107.74650	0.2
111.04428	0.4
113.02353	1.6
119.03414	0.4
119.04948	0.4
125.02385	0.3
133.02927	0.4
135.04478	0.6
145.02917	0.6
151.00276	0.5
161.02487	0.4
161.04510	1.8
169.01494	0.3
173.04581	1.1
179.03447	0.4
183.10301	0.9
191.05618	3.0
211.13474	0.2
229.14607	0.4
233.09467	0.2
249.06369	0.7
260.67764	0.3
313.16638	0.3
331.17657	1.1
334.57770	0.2
347.17349	0.5
352.08331	0.4
373.14252	0.5
373.18292	1.7
373.23093	1.4
389.18015	1.2
390.18945	0.3
433.15753	1.4
433.21164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.6
57.03336	1.8
59.01268	100.0
60.01595	1.1
64.05216	0.6
67.01777	0.6
69.03345	1.6
71.01268	9.2
71.60056	1.0
72.99207	2.2
73.02831	1.4
75.00776	6.0
79.47784	0.5
81.03329	0.7
83.01302	0.7
84.37132	0.6
85.02853	7.7
87.00813	2.7
89.02350	3.0
93.03353	3.0
95.01298	2.7
99.00809	4.9
101.02346	3.5
102.01969	0.6
103.00260	0.8
103.03007	0.5
109.02910	1.0
111.04469	0.9
113.02359	10.3
113.05995	0.8
115.00288	1.0
117.01905	1.5
119.03419	0.9
119.04980	1.6
121.02831	0.8
121.10165	1.8
121.85002	0.6
129.01852	1.3
133.02899	1.9
135.04480	1.3
139.11247	1.9
145.02881	1.3
161.02414	5.2
161.04465	1.1
162.02831	0.6
163.03882	1.3
173.04523	2.9
175.02510	1.6
179.03500	1.3
179.05681	0.6
183.10255	9.1
191.05615	6.7
193.05017	0.6
197.02742	3.5
198.03517	1.0
205.65645	0.6
230.02567	0.7
231.05075	1.2
249.06207	11.7
250.06522	0.8
253.09042	1.3
253.14471	1.2
267.07245	2.5
313.07123	0.8
331.17700	0.8
373.18811	1.8
415.16040	0.9
433.16910	48.4
434.17178	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	433.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.9
55.38304	0.3
57.03341	3.6
58.00489	0.8
59.01268	100.0
60.01598	1.5
61.01701	0.5
65.03854	0.7
67.01787	1.0
67.05424	1.0
68.99702	1.6
69.03344	2.5
69.25855	0.3
69.26170	3.6
71.01272	22.3
71.04910	1.5
72.01622	0.4
72.99201	5.1
73.02834	2.1
75.00767	15.6
75.72636	0.3
81.03369	1.0
83.01283	1.7
83.04921	0.7
84.02058	0.5
85.02846	22.3
86.03162	0.5
87.00777	8.4
89.02339	8.0
91.03919	0.9
93.03366	2.6
95.01290	5.9
97.02844	0.5
98.19821	0.6
99.00789	10.2
101.02348	3.0
103.00276	2.9
107.04951	0.9
109.02886	0.8
110.95362	0.3
111.00806	1.0
111.04438	10.4
112.01600	0.5
112.04817	0.3
113.02361	28.6
114.02730	0.6
115.00327	1.5
115.03869	0.4
117.01860	2.4
119.03443	1.5
119.04980	0.9
121.10157	2.5
125.06044	1.0
128.70987	0.3
129.01862	2.8
131.03424	0.9
135.04485	0.6
137.02373	0.4
139.11246	0.3
143.03294	0.3
143.80638	0.3
145.02899	0.9
149.04494	0.6
154.27380	0.3
155.58127	0.3
157.01357	0.7
161.02451	0.5
161.04573	0.8
163.03937	0.7
165.09167	1.6
169.76253	0.3
173.04561	1.9
175.02498	1.9
177.01859	0.4
179.05556	0.7
183.10248	9.3
184.10568	0.5
191.05620	3.9
193.04968	0.4
205.07169	1.3
207.04977	1.6
223.08231	0.6
227.07272	0.4
231.05112	1.2
249.06201	24.6
250.06471	1.2
253.04961	0.4
253.14351	0.3
267.07275	62.1
268.07605	3.4
271.06107	0.8
331.17569	1.7
361.11444	1.8
373.18915	1.7
387.48251	0.3
387.73044	0.4
415.15872	3.1
433.17178	65.8
434.17487	9.1
441.48309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.6
57.03336	1.8
59.01268	100.0
60.01595	1.1
64.05216	0.6
67.01777	0.6
69.03345	1.6
71.01268	9.2
71.60056	1.0
72.99207	2.2
73.02831	1.4
75.00776	6.0
79.47784	0.5
81.03329	0.7
83.01302	0.7
84.37132	0.6
85.02853	7.7
87.00813	2.7
89.02350	3.0
93.03353	3.0
95.01298	2.7
99.00809	4.9
101.02346	3.5
102.01969	0.6
103.00260	0.8
103.03007	0.5
109.02910	1.0
111.04469	0.9
113.02359	10.3
113.05995	0.8
115.00288	1.0
117.01905	1.5
119.03419	0.9
119.04980	1.6
121.02831	0.8
121.10165	1.8
121.85002	0.6
129.01852	1.3
133.02899	1.9
135.04480	1.3
139.11247	1.9
145.02881	1.3
161.02414	5.2
161.04465	1.1
162.02831	0.6
163.03882	1.3
173.04523	2.9
175.02510	1.6
179.03500	1.3
179.05681	0.6
183.10255	9.1
191.05615	6.7
193.05017	0.6
197.02742	3.5
198.03517	1.0
205.65645	0.6
230.02567	0.7
231.05075	1.2
249.06207	11.7
250.06522	0.8
253.09042	1.3
253.14471	1.2
267.07245	2.5
313.07123	0.8
331.17700	0.8
373.18811	1.8
415.16040	0.9
433.16910	48.4
434.17178	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	433.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01605	1.3
68.40279	0.3
70.15263	0.6
70.15673	1.4
71.01276	1.4
71.03049	0.3
73.02857	0.4
78.95844	0.4
85.02830	1.6
87.00793	0.6
89.02321	0.5
93.03367	2.3
95.61313	0.3
96.95930	0.9
101.02382	0.6
113.02335	0.8
119.03417	0.4
119.04971	1.0
161.04501	1.1
163.03989	0.6
173.04567	1.4
179.03528	0.5
179.55031	0.3
181.05029	3.5
182.47647	0.3
191.05573	9.7
192.05937	0.6
196.07404	3.8
197.07787	0.4
211.09746	6.9
211.11627	0.4
212.10231	0.4
337.09607	1.2
433.12589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.4
59.01265	100.0
67.21191	1.0
71.01267	13.5
71.55846	1.6
72.99173	1.5
73.02837	6.7
75.00761	1.7
78.95832	1.0
83.01265	2.1
84.05975	0.9
85.02854	6.8
87.00808	1.1
89.02338	6.7
93.03357	2.7
96.95911	2.1
99.04417	1.2
101.02334	11.5
113.02351	6.6
119.03415	3.0
125.02321	1.5
131.03465	1.3
133.02971	0.9
135.04411	2.5
143.03409	1.8
161.02350	3.4
161.04546	4.9
173.04533	2.1
179.03398	2.1
185.11749	2.0
191.05595	15.5
192.05931	1.2
203.05562	1.0
204.91875	1.0
227.38400	1.0
237.21471	1.0
246.78288	0.9
267.06818	1.2
329.16135	3.2
331.17581	1.5
339.05161	3.1
347.17206	5.5
353.08792	1.1
389.18173	7.2
390.18689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	2.9
59.01266	100.0
60.01587	1.4
64.12003	1.3
67.01785	1.4
70.70605	3.7
71.01265	9.9
73.02833	4.9
75.00759	1.9
81.43357	1.1
85.02851	7.8
87.00771	3.7
89.02345	3.6
93.03365	6.6
95.01311	1.7
96.95914	1.6
97.06478	11.4
99.00822	1.5
101.02341	7.7
107.87971	1.1
109.02843	2.9
113.02329	8.1
113.31066	1.1
115.07571	16.9
133.02887	3.6
133.97597	1.4
135.04439	6.1
149.89368	1.2
161.01515	1.0
161.02415	10.0
161.04524	2.9
167.10709	1.7
173.04517	2.6
179.03452	4.4
185.11830	8.6
185.13187	1.5
191.05588	36.8
192.05885	2.2
209.75348	1.4
229.01453	3.0
239.05931	1.4
267.06750	1.5
282.31235	1.6
289.15182	1.3
295.06006	2.0
329.16058	6.5
339.05249	10.6
347.17075	2.7
353.08978	3.2
373.19397	1.3
382.63004	1.4
433.20831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30638	0.8
57.03341	0.9
59.01266	100.0
59.21064	0.7
60.01594	1.0
61.98714	2.3
67.01791	1.1
71.01279	7.5
71.57760	0.7
71.58111	1.0
72.99221	1.2
73.02836	3.1
75.00778	2.5
83.01276	1.0
85.02850	5.8
85.06480	0.8
85.72285	0.5
86.42568	0.7
87.00776	1.9
89.02345	4.0
93.03358	6.0
95.01312	1.2
96.95891	0.7
97.06496	6.0
99.00781	0.7
99.04402	1.0
101.02345	5.2
109.02871	1.4
111.04449	1.1
111.57843	0.6
113.02353	4.4
115.07558	8.9
119.03450	1.1
121.02876	0.9
125.02340	0.7
127.03944	1.6
129.01897	0.9
133.02890	3.2
135.04448	5.4
137.02353	0.9
143.03459	1.0
145.02983	0.7
155.03540	0.8
157.35782	0.6
159.04515	0.7
159.10158	0.7
161.02403	8.0
161.04550	2.5
161.61935	0.7
163.03922	0.7
167.10753	1.0
171.02820	0.6
173.04530	3.6
179.03473	3.7
180.03838	0.7
185.11807	3.8
186.55663	0.7
191.05585	36.9
192.05983	2.6
210.06570	0.6
229.01488	2.3
230.93016	0.7
249.06268	0.8
251.07295	0.7
265.05359	1.1
267.06943	1.9
293.04465	0.7
295.06244	2.1
302.53659	0.7
321.04108	1.2
329.16083	4.9
331.17923	0.8
337.03607	0.9
339.05206	8.9
340.05618	1.5
347.17233	1.0
349.35382	0.8
353.09045	2.0
371.09875	1.3
389.18530	0.9
433.20975	2.0
434.20938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53342	0.2
57.03348	1.9
59.01263	7.4
61.98714	0.8
69.03336	2.3
69.69527	2.1
71.01268	0.6
71.04901	1.6
78.95793	1.6
81.03340	0.4
83.01270	0.5
83.04908	1.4
85.02847	0.4
88.98711	0.8
89.02287	0.3
93.03336	0.4
96.95915	7.6
96.96838	1.6
97.02868	0.5
97.06484	0.5
98.19888	0.6
99.04418	100.0
100.04749	2.8
101.02329	0.3
109.06518	0.7
111.00769	0.4
111.08020	0.9
113.02343	1.8
115.03931	4.4
119.04937	1.0
121.06505	0.9
123.08067	0.8
124.01597	0.6
129.01834	0.3
133.02904	0.6
135.04420	0.5
145.02884	3.4
152.99530	1.3
161.02402	0.8
161.09668	0.3
163.03912	0.6
163.11234	0.6
165.12769	0.3
168.37970	0.4
177.01738	0.3
180.33492	0.3
203.14450	0.7
207.17270	0.3
217.15939	0.5
235.17017	0.6
258.19296	0.3
271.16949	0.3
275.20239	0.8
287.20160	1.7
303.19827	0.3
305.21274	10.6
306.21774	1.4
315.19699	0.5
331.19153	1.0
333.21036	0.4
335.18506	0.4
335.22348	4.7
336.22842	0.5
349.20309	0.5
371.21014	0.5
387.25452	1.2
401.97302	0.3
413.16510	0.6
431.17792	4.0
431.24411	31.4
432.18420	0.7
432.24664	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07401	0.4
55.01770	0.7
57.03349	2.4
59.01270	6.7
60.01607	0.4
61.98714	0.6
69.03346	8.7
69.69088	2.2
71.01276	11.0
71.04914	1.3
73.02841	3.5
81.03355	6.6
83.04928	4.4
85.02843	2.7
87.04434	0.7
89.02332	0.5
95.04925	2.0
96.95885	0.4
97.02860	11.5
97.06506	3.3
98.03642	1.0
98.20564	0.3
98.95480	0.4
99.04425	100.0
100.04746	3.0
107.04940	1.4
109.02866	6.0
109.06505	4.6
111.04425	0.9
111.08065	1.1
113.02365	0.6
115.03875	0.5
119.04858	0.5
121.06502	2.1
123.08089	13.7
124.08426	0.6
125.09650	0.4
127.07556	0.8
135.08115	1.4
137.09686	1.8
139.11227	0.6
147.08083	0.9
149.09669	1.7
151.07559	0.4
151.11235	1.4
152.59779	0.3
152.99532	0.5
161.09694	1.1
163.11246	22.3
163.96169	0.4
164.11589	1.4
164.47115	0.3
165.09146	0.9
165.12790	2.1
167.10643	0.3
173.09718	0.4
175.11256	0.3
179.14384	1.3
181.12344	0.7
189.12900	0.4
191.10750	4.2
191.14413	2.4
193.12387	0.5
203.14410	1.5
207.17570	5.3
217.16000	1.4
219.13966	0.6
219.17503	1.2
221.15453	0.3
223.17043	1.1
231.17528	0.6
233.19142	12.7
234.19487	1.2
235.13377	1.4
235.17094	1.1
236.13930	0.5
243.17603	0.8
255.13971	0.7
261.18661	6.9
262.19043	0.7
269.19220	0.7
287.20245	5.8
288.20575	0.5
303.19641	1.8
305.21304	70.1
306.21652	9.3
313.18179	0.9
331.19183	2.2
332.19614	0.4
349.20215	4.7
350.20685	0.7
387.25504	3.2
388.25748	0.7
413.23456	4.9
414.23898	1.1
431.24481	20.6
432.24823	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	431.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75305	0.4
55.01768	0.5
57.03338	4.8
59.01268	7.8
67.01768	1.7
69.03343	42.9
70.03682	0.9
71.01266	2.8
71.04900	1.4
71.57037	0.5
73.02805	0.6
78.95782	0.7
81.03348	0.6
83.04918	2.8
85.02843	5.1
87.00761	0.7
93.03368	0.5
93.06976	0.6
93.13382	0.5
97.02851	83.3
97.06490	1.3
98.03171	2.2
99.04418	100.0
100.04747	2.2
109.06495	3.9
111.08065	1.2
113.02350	1.6
115.03114	0.8
115.03914	12.2
121.06504	1.9
123.08055	1.5
125.09624	0.8
137.09619	0.6
151.11172	0.6
152.99527	1.3
161.09688	2.0
163.11205	1.3
179.10730	0.5
187.11319	0.5
191.05655	0.6
199.13380	0.5
203.14474	1.2
247.17163	0.7
269.19229	0.5
271.20746	0.6
287.20364	2.5
289.21680	2.4
291.23431	0.7
305.21271	7.1
306.21594	0.8
331.19232	0.6
333.20700	0.6
335.22260	3.3
371.20776	1.1
387.25589	4.0
388.25662	1.0
407.62003	0.5
431.24472	63.5
432.24753	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	431.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97383	0.2
55.64232	0.1
57.30866	0.1
59.01266	2.6
69.03329	0.3
69.61140	0.6
69.61552	0.6
72.41357	0.2
73.02824	0.2
85.02853	0.4
97.02853	7.3
97.03483	0.4
97.06477	0.2
99.04418	100.0
99.82958	0.2
100.04757	2.6
103.80067	0.1
109.02847	0.5
115.03914	0.3
117.03367	0.5
119.04952	1.1
127.07564	3.8
128.07907	0.3
145.02887	4.8
163.03949	1.1
165.05482	0.4
165.09158	0.2
172.28366	0.2
189.12822	0.8
190.13191	0.2
191.07094	0.5
203.14354	0.3
205.08737	0.7
207.10246	1.3
216.57823	0.2
221.15477	0.5
225.11409	0.2
233.15344	0.3
269.19073	0.4
283.17230	0.5
285.21051	0.3
287.20221	0.5
308.36984	0.2
313.18167	6.8
314.18387	0.8
319.19318	0.4
331.19202	10.1
332.19662	1.2
332.23141	0.2
349.20059	0.4
387.25571	0.2
407.57605	0.2
431.24463	4.4
432.24808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07120	0.1
51.83368	0.1
59.01267	2.1
61.98693	0.2
64.33458	0.1
67.24920	0.1
68.94429	0.1
69.03328	0.2
71.01279	0.3
71.04888	0.2
71.58701	0.2
73.02833	1.1
77.15674	0.1
78.95797	5.6
81.03346	0.2
83.01285	0.3
83.04913	0.3
85.02863	0.6
86.80003	0.1
89.02350	0.2
93.03365	0.1
96.96871	0.8
97.02857	2.5
98.03136	0.1
98.66211	0.1
99.04420	100.0
100.04747	2.8
101.02321	0.1
107.04918	0.1
109.02863	0.9
111.04443	0.3
113.02356	0.2
115.03918	0.2
119.04935	0.3
121.06479	0.2
122.03616	0.1
123.08059	0.6
127.07558	0.4
127.41684	0.1
129.57457	0.1
131.52094	0.1
145.02855	0.6
150.97993	0.3
152.99532	11.7
153.99855	0.3
163.03923	0.2
165.05556	0.4
168.52931	0.1
171.00610	0.6
173.06064	0.2
189.09181	0.8
189.12871	0.2
191.07124	0.2
203.14430	0.2
205.08740	0.2
221.15446	0.4
233.15511	1.6
245.15479	0.2
257.19223	0.3
268.03925	0.1
269.19077	0.2
271.17072	0.1
275.20218	0.2
283.17084	0.3
285.18573	0.1
287.20154	0.1
289.18219	0.8
289.88852	0.1
295.17184	0.4
301.18182	0.8
302.81580	0.1
313.18182	3.1
314.18549	0.4
319.19214	1.5
320.19653	0.2
331.19226	5.1
332.19626	0.6
348.64017	0.1
349.20303	3.0
349.24387	0.2
350.20685	0.4
387.25696	0.2
413.23624	0.3
431.24551	7.6
432.25012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2448
Annotation	Espinosanolide 2-methylbutyrate
Peak:m/z	Relative Intensity
54.42249	0.7
55.01779	1.1
57.63178	0.7
59.01262	3.6
59.98397	1.3
66.02513	0.7
69.03351	6.2
70.06073	4.6
78.95803	7.6
80.12270	0.8
90.20309	0.8
96.96876	1.0
97.02850	0.9
97.06473	0.9
99.04420	64.3
100.04774	2.2
152.99524	11.6
205.49872	0.7
244.50250	0.9
261.22275	3.1
287.20221	40.5
288.20679	4.6
305.21283	13.7
306.21548	1.6
349.20398	1.0
358.99945	0.9
387.25491	69.5
388.25836	11.5
431.24478	100.0
432.24805	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	431.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94532	0.7
57.03339	14.9
57.61650	0.6
59.01258	2.4
66.61874	0.7
66.95728	0.6
69.03344	2.1
69.42776	5.5
69.43192	1.7
71.04907	1.4
83.04914	16.1
85.02851	0.7
93.07008	0.6
95.04924	0.8
97.02832	1.5
97.06497	1.5
98.00006	0.9
98.20579	1.3
99.04417	44.7
100.04745	1.0
107.04903	1.4
107.69093	0.7
109.06501	50.3
110.06848	1.7
111.04433	1.1
111.08086	4.4
117.03358	1.7
117.95784	0.6
119.04938	2.5
121.06509	14.6
122.06839	0.8
123.08069	4.1
124.69410	0.6
135.08060	1.5
136.05247	1.3
137.06018	1.0
137.09671	1.3
137.40904	0.7
139.07564	1.7
139.53430	0.7
145.02863	9.1
147.08047	1.2
149.06001	1.7
149.09724	0.8
151.07605	0.8
151.11240	1.8
161.09677	3.7
163.04002	1.7
163.11246	5.1
165.09117	1.6
170.55186	0.6
178.88620	0.7
179.10706	6.2
195.15860	0.7
201.12711	0.9
203.14388	1.4
217.16118	1.1
219.13846	4.9
221.15193	0.7
231.13902	0.8
235.17078	2.9
247.17020	1.8
249.18597	0.8
262.15979	0.9
287.20325	3.6
305.21289	44.7
306.21719	5.7
343.26523	2.3
387.25488	79.1
388.25815	11.6
403.24908	0.9
431.24460	100.0
432.24857	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	431.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	2.4
59.01246	0.5
63.34299	0.3
69.03338	1.1
69.27650	0.9
69.28051	2.8
71.04887	0.7
78.95794	45.1
80.65167	0.3
82.17040	0.3
83.04916	3.8
90.64928	0.4
96.96861	6.2
98.00031	0.6
98.19761	0.5
99.04419	50.3
100.04749	1.2
109.06499	8.3
111.08053	1.2
121.06507	2.2
123.08075	1.5
135.08136	0.4
136.05263	1.1
139.07581	0.7
149.06000	1.0
150.97943	1.8
152.99524	100.0
153.99855	1.5
161.09656	0.7
163.11255	1.0
171.00560	3.8
179.10770	0.9
199.15005	0.5
217.15993	0.7
219.13858	2.8
235.17113	0.8
243.17653	0.6
249.68724	0.3
262.15933	0.6
267.10461	0.4
269.19287	0.7
277.21896	1.0
287.20291	2.1
288.20609	0.4
305.21292	11.0
306.21683	0.9
338.54926	0.4
343.26566	1.2
349.20303	0.6
359.26062	0.8
373.34540	0.4
387.25482	22.5
388.25870	4.5
403.25186	0.7
424.21027	0.4
431.24612	37.9
432.24905	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	431.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.9
57.03332	0.5
59.01266	2.2
60.29593	0.2
61.98720	0.2
67.01767	0.3
69.03341	2.3
70.08907	0.6
71.01260	0.6
71.04910	4.4
71.05302	0.3
78.95795	2.0
81.03358	0.5
83.01273	3.4
83.04918	2.6
85.02846	2.3
85.06495	0.2
93.06984	0.2
95.01263	0.3
96.95908	2.0
96.96871	0.2
97.02848	0.7
97.06535	0.2
98.19901	0.3
99.04421	100.0
100.04746	2.5
101.05996	0.3
109.06503	0.7
111.00071	0.3
111.00796	4.0
111.04417	0.3
112.01572	0.4
113.02332	0.9
115.03925	17.7
116.04255	0.5
117.03399	0.4
119.04932	1.1
121.06526	0.2
123.08111	0.7
125.09601	0.2
129.01860	0.2
135.49348	0.2
145.02881	3.2
149.13303	0.2
152.99542	3.6
161.02357	0.3
163.03966	0.8
167.10727	0.2
203.14522	0.2
217.16113	0.2
220.39478	0.2
257.18954	0.2
273.22360	0.4
275.20322	0.3
285.20828	0.3
287.20316	0.8
289.21750	0.3
291.23361	0.3
301.18457	0.3
301.21918	0.5
305.21304	0.8
314.39679	0.2
317.21356	0.6
331.19412	0.7
335.22375	2.2
336.22659	0.3
343.22833	0.2
343.26477	0.2
387.25494	4.2
388.25861	0.9
417.05539	0.2
420.50409	0.2
431.24509	18.5
432.24753	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	431.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30684	0.4
55.71832	0.4
57.03338	5.1
59.01268	7.5
67.01791	0.5
69.03340	2.4
71.01262	1.1
71.04910	4.9
71.80181	0.5
76.71973	0.5
78.95789	0.5
83.04919	5.6
85.02851	0.7
93.07020	0.5
96.95918	2.1
97.02831	0.7
97.06496	1.3
99.04421	100.0
100.04739	2.6
101.02352	0.6
101.05991	3.1
101.06565	0.5
107.04948	1.1
108.15001	0.4
109.06496	1.9
111.08048	1.7
113.02319	0.7
114.44453	0.4
115.03928	16.3
119.04974	0.8
121.06512	37.0
122.06842	1.8
123.08078	10.8
124.08453	0.5
125.09640	1.7
135.08087	5.9
137.09660	1.4
141.43752	0.5
147.08113	4.5
149.09637	0.5
151.11224	1.9
152.99567	0.6
161.02403	0.5
161.09686	2.1
163.11217	2.4
175.11127	0.7
179.10724	1.4
181.12296	1.3
203.14352	1.0
215.14445	0.4
219.13719	0.6
229.23782	0.6
233.15529	0.7
245.15514	3.5
247.17117	1.9
257.19211	1.8
267.17679	0.6
271.16977	0.4
271.20422	0.5
275.20218	4.7
285.18692	8.7
286.18970	1.5
287.20291	1.4
303.19711	11.6
304.20090	1.2
305.21295	5.0
315.19601	0.8
331.19186	1.1
369.24466	0.8
371.20737	0.9
387.25464	7.3
388.25943	1.0
413.23706	0.6
431.24466	80.6
432.24826	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	431.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32722	0.3
55.30684	0.3
57.03329	0.5
59.01262	2.4
65.58129	0.3
69.03339	0.4
69.29474	1.2
69.29897	2.0
70.47343	0.4
78.95795	49.6
83.04905	1.0
96.96861	6.3
99.04419	16.0
109.06471	2.3
121.06529	0.8
140.09131	0.3
150.96898	0.4
150.97920	1.6
152.28032	0.3
152.99530	100.0
153.99858	1.8
155.43188	0.4
163.11200	0.4
171.00606	5.0
219.13968	0.8
263.20413	0.8
277.21912	0.6
283.63202	0.3
287.20328	1.6
288.20908	0.5
305.21317	3.0
306.21747	0.4
371.21078	0.4
378.36902	0.3
387.25430	8.6
388.26123	1.0
431.24710	13.2
432.25031	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	431.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	2.3
59.01263	7.0
61.98702	0.4
65.23647	0.3
69.03348	1.3
70.98013	0.7
71.01263	1.2
71.04929	1.6
74.11830	0.3
76.32313	0.3
78.95798	0.4
81.03348	0.9
83.04922	4.7
85.02815	0.4
89.02329	0.9
96.95925	1.8
97.02850	0.6
97.06477	0.6
99.04420	100.0
100.04749	2.7
101.06009	0.3
109.06518	0.7
111.08094	1.4
113.02369	0.5
115.03921	4.2
121.02857	0.7
121.06512	7.4
123.08082	1.9
135.08096	0.5
137.09685	0.7
141.58757	0.3
145.02956	0.3
147.08116	0.8
151.11201	0.7
152.99506	0.7
161.02412	0.7
161.04428	0.3
163.11208	1.2
191.05551	0.5
194.66174	0.3
201.12810	0.4
203.14444	0.6
210.61206	0.3
221.15527	0.4
224.29637	0.3
235.17323	0.3
245.15401	0.3
247.17105	0.8
251.16621	0.7
257.19376	0.3
271.13623	0.4
275.20215	1.2
277.21832	1.3
285.18677	0.9
287.20227	1.8
303.19693	0.5
305.21277	4.2
315.19943	0.4
331.19232	3.4
333.20895	0.4
334.01083	0.3
349.20374	0.6
350.20789	0.3
359.26035	1.0
371.20828	0.4
387.25616	3.9
388.26062	0.4
403.25006	0.4
405.61328	0.3
431.24475	44.8
432.24765	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	431.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60085	0.3
59.01264	100.0
60.01596	1.0
60.55814	0.3
61.98717	0.7
68.55635	0.3
69.03355	0.8
71.01265	1.9
71.04924	0.6
71.56191	0.6
78.95798	0.5
85.02845	1.0
89.02351	0.5
96.95930	0.5
97.02854	3.5
97.06470	0.7
99.04412	1.7
101.02357	0.6
113.02388	0.4
115.03924	10.4
115.04688	0.7
121.06548	0.8
132.61815	0.3
133.02878	0.5
135.04512	0.7
138.39159	0.4
151.00316	0.4
152.99500	0.6
161.02420	1.3
161.04579	0.7
187.04065	0.5
191.05661	1.1
233.49358	0.4
239.92003	0.4
289.21783	0.5
331.19095	0.5
333.20947	1.0
349.20450	0.8
371.20782	0.9
401.23709	0.6
431.19653	0.5
431.24561	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	431.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01606	1.2
63.23287	0.4
67.41833	0.3
69.24815	2.8
69.25229	1.3
71.01277	3.7
73.02866	0.7
78.95791	4.7
85.02856	1.1
87.00797	0.7
89.02338	5.1
93.03368	1.0
96.96877	3.5
98.19836	0.7
101.02353	2.5
111.40328	0.4
113.02372	1.8
119.03414	1.8
119.44959	0.4
121.16048	0.4
143.03499	0.8
161.04568	0.8
173.04570	0.6
179.05624	1.6
191.05548	2.8
233.09560	2.0
249.06287	0.4
249.09006	0.7
265.08438	0.4
290.11880	0.8
303.17752	0.4
312.86288	0.3
431.14255	0.6
431.19553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21372	0.2
59.01268	0.6
62.96289	0.3
65.89867	0.2
69.75982	0.8
69.76391	0.3
78.95799	69.4
83.46163	0.1
96.96871	5.8
96.97507	0.3
99.04424	0.6
127.28237	0.2
150.97978	2.0
152.99536	100.0
153.99896	1.7
171.00613	2.8
177.97765	0.1
207.13019	0.2
277.21851	1.2
287.20032	0.2
341.50256	0.2
387.25375	0.2
406.81689	0.2
431.22098	14.8
432.22388	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73637	1.8
57.03332	6.6
59.01265	100.0
61.98714	2.7
71.01262	7.3
71.04918	2.6
71.58400	1.8
74.00580	1.9
74.02367	29.5
75.00757	4.8
75.02686	4.6
83.04908	3.6
85.02839	5.7
88.23783	2.2
93.03340	3.2
99.04401	5.5
99.08054	11.2
101.02340	6.4
101.05975	6.0
115.03915	1.9
123.08050	1.8
125.09639	4.1
125.98515	2.1
135.04478	2.6
158.60983	1.7
161.04456	2.9
165.12807	24.8
173.04483	3.6
173.68114	2.1
177.05428	2.8
179.03477	3.5
181.12286	10.5
181.41743	1.9
183.13882	7.5
191.05591	10.4
227.12892	4.4
227.43170	1.8
238.53583	1.8
241.93675	1.8
245.13829	2.1
271.02441	2.6
273.20966	2.0
299.02103	2.7
327.21860	24.8
328.22104	2.1
345.22903	89.9
346.23126	10.2
386.25650	3.4
387.23877	61.6
388.24216	8.7
431.23483	2.9
431.28503	20.0
432.28952	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	431.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35491	0.1
55.76611	0.1
59.01272	0.8
60.92605	0.1
61.31956	0.1
62.96305	0.1
70.12300	0.1
70.97431	0.4
78.74051	0.1
78.95798	53.2
83.72390	0.2
96.96864	6.4
99.04413	1.4
150.97966	1.9
152.99533	100.0
153.99860	2.0
159.13982	0.2
171.00601	3.9
263.20206	0.3
277.21774	0.7
287.20123	0.4
387.25406	0.6
388.25565	0.2
411.03677	0.2
431.21976	7.2
432.22476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48973	0.2
59.01263	1.7
62.96317	0.3
69.03356	0.3
71.01271	0.2
71.05908	0.3
71.06248	0.4
78.95795	68.9
81.03350	0.6
83.04964	0.3
96.96866	5.9
99.04418	4.2
100.08547	0.2
107.25333	0.2
112.37903	0.2
115.03909	0.3
119.04980	0.3
145.02859	0.3
150.97955	1.5
152.99527	100.0
153.99863	1.6
157.19257	0.2
171.00581	2.9
219.38715	0.2
223.14836	0.2
226.50786	0.2
277.21796	1.2
287.20200	1.4
305.21173	1.3
359.68027	0.2
387.17291	0.2
387.25552	3.0
388.25507	0.4
431.21890	14.3
432.22299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92907	0.2
53.08642	0.2
55.89818	0.2
56.41929	0.2
59.01265	3.4
61.98721	0.3
62.96288	0.3
69.53110	0.2
69.53389	1.8
71.01270	0.3
78.95795	70.6
88.93850	0.2
96.96867	5.3
99.04446	1.0
150.97969	1.9
152.99527	100.0
153.99854	1.7
154.07288	0.2
161.04472	0.3
171.00603	2.7
277.21680	0.9
309.66238	0.2
371.20813	0.3
387.25339	0.2
431.22067	12.2
432.22382	2.0
434.32898	0.3
442.65530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87466	0.5
55.01777	0.6
57.03345	3.1
59.01264	16.6
61.83926	0.6
67.01775	3.7
68.71633	0.6
68.99710	3.9
69.03339	5.8
69.29393	1.0
69.29792	5.6
71.01265	12.8
71.04894	1.0
72.99202	1.4
73.02862	0.9
80.91570	2.5
83.01264	2.9
83.04939	0.7
83.18990	0.6
85.02837	17.7
85.06495	1.3
85.99994	0.6
86.03175	0.6
87.00765	5.7
89.02347	2.1
91.03896	1.6
93.03368	0.6
95.01291	3.8
96.50664	0.6
97.02885	0.7
97.34202	0.5
99.00809	0.9
99.04426	1.0
99.08043	5.1
101.02350	1.6
103.00289	0.6
109.02905	0.6
111.00816	3.5
113.02354	18.5
115.03938	4.0
121.06488	1.8
121.10138	1.4
123.11773	0.6
124.50021	0.5
125.09650	2.1
127.07511	0.8
129.01886	2.1
139.00307	2.3
143.03409	0.9
149.09663	1.7
155.24931	0.6
157.01378	1.5
161.02431	0.8
167.10728	100.0
168.11044	5.9
175.07571	0.6
187.09758	1.4
189.04062	1.2
191.05623	0.7
198.90269	0.6
205.07196	7.0
231.05084	1.0
249.06212	4.7
263.07773	23.8
264.08087	1.4
281.08838	38.4
282.09167	2.3
289.21783	2.1
331.19241	1.8
343.22882	1.3
349.20193	2.8
387.25977	0.8
431.19260	52.7
432.19650	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	431.2214
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.93399	0.1
59.01266	2.3
62.96311	0.3
70.08728	0.1
71.01267	0.2
78.90622	0.1
78.95797	51.6
96.96867	6.6
99.04428	1.7
150.97986	1.8
152.99539	100.0
153.99875	1.9
171.00610	4.5
172.56970	0.2
181.99626	0.2
246.08247	0.1
252.52478	0.1
263.20200	0.4
273.40332	0.2
277.21753	0.7
287.20111	0.5
305.21225	0.2
387.25644	0.8
431.21988	7.2
432.22235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25089	0.2
56.86949	0.2
57.03345	0.2
57.30425	0.2
59.01265	100.0
60.01590	1.1
61.26210	0.2
69.81474	0.3
69.81879	0.8
71.01288	0.9
72.99217	0.2
73.02848	0.3
85.02865	0.5
89.02345	0.3
96.95905	0.2
96.96895	0.2
99.00847	0.2
101.02371	0.4
113.02354	0.5
113.44822	0.2
137.02373	1.0
138.05374	0.2
161.02412	0.4
174.35301	0.2
191.05626	0.2
195.06636	0.5
207.06709	0.8
209.08229	0.3
267.07358	0.3
279.62021	0.2
329.16257	0.3
343.04443	0.2
413.11060	0.5
419.41116	0.2
431.11462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00679	0.2
54.60953	0.2
57.03332	0.3
59.01266	100.0
60.01588	1.3
69.03359	0.3
69.54309	2.0
71.01276	1.7
72.99191	0.3
73.02846	0.8
75.05351	0.2
83.01276	0.3
83.85578	0.3
84.23548	0.2
85.02847	1.6
87.00788	0.6
89.02344	0.5
89.09971	0.3
90.09748	0.2
93.03370	0.3
95.01305	0.4
96.95917	0.3
98.19855	0.5
99.00800	0.4
100.07709	0.2
101.02340	1.3
107.01344	0.3
108.92155	0.2
113.02368	1.3
133.02908	0.9
135.04463	0.9
137.02344	0.3
161.02391	3.5
161.04550	0.4
166.02687	1.8
167.03419	0.6
179.03419	0.8
191.05592	3.0
195.89111	0.3
249.06253	0.7
257.71936	0.3
264.04514	0.3
265.05167	0.5
267.07318	1.0
319.02719	0.3
335.02164	0.3
337.03693	3.0
351.07507	0.4
371.10089	0.7
371.17166	0.6
431.15088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
55.75694	0.4
57.03338	3.6
58.00459	0.6
59.01268	16.5
61.98702	0.6
67.01774	4.3
68.99706	4.3
69.03348	5.7
71.01272	14.3
71.01667	0.8
71.31286	0.4
71.31615	0.7
72.99200	0.8
73.02841	0.5
77.37518	0.4
81.69947	0.4
83.01266	2.6
83.04920	0.9
83.20646	0.4
85.02846	18.7
85.06490	1.3
86.00002	1.0
87.00780	6.3
88.98711	0.4
89.02343	2.3
91.03904	2.0
93.03326	0.5
95.01284	4.5
97.02865	0.7
99.00732	0.7
99.04434	0.5
99.08066	5.9
100.01556	0.5
101.02345	1.3
103.00298	1.3
109.02909	0.5
111.00798	4.2
112.01583	1.2
113.02364	23.8
114.02649	0.5
121.10167	2.6
123.11748	0.9
127.03932	0.6
129.01892	2.1
131.03410	0.5
132.40164	0.4
137.76697	0.5
139.00296	2.6
143.03442	0.7
149.09666	2.5
151.76341	0.5
157.01375	1.4
161.04553	0.5
167.10733	100.0
168.11078	5.7
169.05034	0.8
189.04030	1.4
205.07169	9.7
231.05138	1.6
237.09776	0.8
249.06186	5.0
250.06554	0.5
262.51862	0.5
263.07776	28.3
264.08160	2.0
281.08838	54.1
282.09180	3.7
292.62372	0.4
302.57700	0.4
342.65631	0.6
371.20782	0.8
399.16763	0.6
431.19305	51.9
432.19644	6.6
436.44751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87449	0.3
59.01266	100.0
60.01596	1.0
71.01284	1.3
71.34185	0.6
73.02859	0.5
81.30898	0.3
85.02876	0.4
89.02353	0.3
101.02385	0.5
113.02381	0.6
136.36717	0.4
161.02417	0.4
167.19659	0.3
191.05592	0.4
208.34036	0.3
281.86288	0.3
306.73148	0.3
340.96640	0.3
371.17453	0.4
383.97699	0.3
431.19537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.9
57.03347	4.5
58.00476	1.2
59.01265	100.0
67.01798	1.9
68.99707	2.0
69.03349	2.3
69.48539	3.0
69.48969	3.0
71.01269	35.4
71.04914	0.7
72.99190	7.6
73.02842	4.9
75.00762	22.9
81.03358	1.0
83.01284	2.1
83.04947	0.9
85.02843	30.7
86.03191	0.9
87.00768	10.9
88.98727	0.8
89.02341	13.4
93.03349	4.5
95.01281	6.3
96.95934	1.2
97.02858	1.1
98.20497	1.8
99.00772	13.0
101.02361	6.8
102.99688	0.8
103.00311	3.4
109.02907	1.0
111.00790	1.5
111.04443	4.0
113.02359	41.7
114.02693	1.0
115.00322	2.2
117.01881	3.1
117.03398	3.2
119.03444	2.6
119.04972	1.1
119.08582	26.2
120.08863	0.9
121.02917	1.0
125.02486	0.7
129.01881	2.7
131.03441	1.1
135.04521	1.2
135.08115	2.7
137.02423	1.2
137.09662	12.9
143.03525	1.0
149.52255	1.0
157.52023	0.7
161.02437	2.0
161.04559	2.3
163.03996	1.6
163.07622	1.7
173.04556	1.6
175.02493	3.1
179.05553	1.5
181.08675	34.8
182.09064	1.8
191.05573	5.1
203.03539	1.3
205.07193	1.1
207.05284	0.9
231.05083	5.1
244.27333	0.8
249.06201	41.0
250.06642	2.3
267.07281	55.5
268.07764	2.8
269.04633	2.4
269.17773	0.9
281.04660	2.5
282.05450	1.2
283.06186	15.3
284.06577	1.3
311.05698	22.7
311.09210	1.4
312.06238	2.3
323.05768	2.4
324.82956	0.8
341.06677	4.2
361.11667	2.7
389.22028	1.0
413.14923	2.8
414.15344	0.9
431.10034	16.8
431.15903	73.2
432.10397	1.8
432.16248	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05392	0.5
53.19519	0.4
56.72734	0.4
59.01263	100.0
59.13517	0.4
60.01585	0.9
69.21264	1.2
69.21665	4.1
70.95947	0.5
71.01268	4.1
73.02842	2.4
83.01286	0.9
85.02843	1.3
87.00804	0.7
89.02361	1.0
93.03379	1.3
97.62523	0.4
99.00813	0.7
99.04433	0.9
101.02347	2.8
109.02859	0.4
111.31519	0.4
113.02369	1.5
119.03432	0.6
133.02890	0.7
134.03734	0.5
135.04443	1.2
153.91200	0.5
161.02394	3.5
161.04547	1.3
173.04535	0.7
179.03394	0.8
191.05559	2.4
221.07037	0.4
241.22897	0.6
299.02118	1.5
329.16260	1.0
357.28409	0.4
359.17072	0.6
387.24121	0.9
431.21667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15876	0.3
55.01779	0.3
57.03339	1.6
59.01263	100.0
60.01600	1.0
67.01775	0.4
68.99699	0.5
69.03341	0.6
71.01268	12.5
71.55268	0.4
72.99193	1.8
73.02837	1.4
75.00761	6.4
81.03336	0.4
83.01265	0.9
83.04919	0.8
85.02840	10.6
87.00768	4.6
89.02331	3.9
91.03921	0.5
93.03364	0.7
93.06992	0.7
95.01294	2.6
95.51118	0.3
96.95910	0.5
97.02864	0.6
98.02388	0.8
99.00781	4.1
99.01878	0.6
101.02339	1.9
103.00290	1.2
111.00831	0.3
111.04399	0.4
113.02352	16.3
114.02692	0.5
115.00275	1.1
117.01827	1.1
119.03429	0.5
119.08575	5.0
129.01854	0.9
131.03378	0.6
133.02878	0.9
135.04474	0.3
137.09657	0.7
149.02303	0.4
157.93193	0.3
161.02367	2.2
161.04451	0.7
163.07602	1.6
175.02409	1.0
179.03362	0.5
181.08708	1.5
191.05530	2.6
207.05092	0.9
231.05104	0.7
249.06174	8.2
250.06564	0.4
267.07257	50.6
268.07608	2.2
281.08740	0.6
335.02020	0.4
337.03693	1.8
371.16916	0.8
413.14636	3.3
431.15533	10.3
432.15869	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07431	0.5
57.03335	2.3
59.01265	100.0
59.14909	0.4
60.01593	0.4
61.98720	6.0
71.01280	1.7
71.57429	0.5
71.57848	0.7
73.29797	0.4
74.57423	0.5
77.06086	0.4
78.24516	0.4
85.02860	1.0
87.00755	0.6
87.99862	0.4
93.03357	0.6
96.95939	0.7
97.02851	0.7
99.04443	1.5
101.02366	1.4
108.03819	0.4
112.80340	0.5
125.02332	3.2
151.04013	0.6
161.02391	3.2
161.04468	0.8
176.04762	1.8
179.03484	6.1
191.05638	2.3
191.07159	1.2
194.05806	6.1
194.91023	0.5
209.08185	16.4
210.08620	1.0
439.28851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	1.3
57.03341	6.8
58.00486	1.7
59.01267	72.0
60.01599	1.2
67.01784	2.7
68.99702	2.6
69.03336	3.2
70.93973	1.1
71.01273	34.2
71.04913	1.2
72.01602	0.5
72.99197	9.4
72.99592	0.8
73.02841	4.5
75.00766	28.1
81.03369	1.0
83.01278	2.3
83.04937	2.2
85.02847	34.5
86.03195	0.7
87.00237	0.7
87.00773	11.9
87.04588	0.4
89.02338	9.7
91.03928	1.3
93.03365	6.6
95.01289	6.8
95.04942	0.7
97.02856	1.1
98.12820	0.4
99.00781	15.2
99.04446	0.5
101.02366	4.6
103.00285	3.6
103.03933	0.5
107.04964	1.3
109.02879	1.4
111.00806	2.0
111.04426	2.6
112.01577	0.8
113.02361	41.7
114.02721	1.3
115.00272	3.4
117.01845	5.2
119.03418	1.1
119.08588	6.0
121.02934	0.4
121.06539	1.0
123.04445	4.1
127.03929	0.6
129.01851	2.7
130.99777	0.6
131.03398	0.9
132.55414	0.5
135.04434	0.6
135.08093	2.0
137.09659	28.2
138.10013	1.6
139.00336	0.5
155.03435	0.5
157.01419	1.3
161.04503	2.0
161.05847	0.6
163.03964	0.6
163.07614	2.8
167.78024	0.5
173.04552	3.2
175.02406	4.0
176.03964	0.7
179.05597	0.9
181.08662	8.5
182.09085	0.6
189.03951	0.8
191.05602	12.3
191.07343	0.6
192.06001	0.6
197.10950	0.5
205.07211	0.9
207.05090	1.0
231.05136	3.7
249.06197	54.0
250.06487	2.9
257.08255	3.5
267.07275	45.9
268.07620	2.5
269.17642	0.8
299.02023	1.1
371.13385	0.8
371.20859	1.4
389.21960	0.9
413.14505	1.5
431.15686	100.0
432.15973	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1568
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.01769	1.0
57.03341	9.6
58.00478	4.1
59.01266	97.5
60.01606	1.1
69.03351	1.9
69.64242	5.4
69.64645	1.9
71.01270	70.1
72.01621	1.6
72.99185	5.0
73.02839	21.9
73.03246	1.3
74.03173	1.0
75.00771	1.1
83.01297	2.7
85.02834	10.0
87.00785	3.2
87.05585	1.1
89.02339	92.1
90.02712	1.7
93.03332	0.8
94.56947	0.8
95.01294	2.5
96.96873	1.3
97.02859	4.0
98.19763	1.1
99.00784	37.4
99.01447	1.9
99.04404	4.0
101.02349	36.7
105.69380	0.9
113.02347	13.1
115.03988	1.0
119.03452	12.6
119.04935	27.2
120.03809	0.9
120.05319	1.4
125.02365	16.2
131.03448	10.6
137.05998	2.2
138.05565	2.0
143.03430	2.4
149.04512	22.3
161.04471	3.0
179.05606	1.8
191.05603	11.2
251.07843	2.1
281.23169	0.9
299.11301	6.0
336.86420	0.9
431.15692	100.0
432.16101	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	431.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	1.3
57.03341	6.8
58.00486	1.7
59.01267	72.0
60.01599	1.2
67.01784	2.7
68.99702	2.6
69.03336	3.2
70.93973	1.1
71.01273	34.2
71.04913	1.2
72.01602	0.5
72.99197	9.4
72.99592	0.8
73.02841	4.5
75.00766	28.1
81.03369	1.0
83.01278	2.3
83.04937	2.2
85.02847	34.5
86.03195	0.7
87.00237	0.7
87.00773	11.9
87.04588	0.4
89.02338	9.7
91.03928	1.3
93.03365	6.6
95.01289	6.8
95.04942	0.7
97.02856	1.1
98.12820	0.4
99.00781	15.2
99.04446	0.5
101.02366	4.6
103.00285	3.6
103.03933	0.5
107.04964	1.3
109.02879	1.4
111.00806	2.0
111.04426	2.6
112.01577	0.8
113.02361	41.7
114.02721	1.3
115.00272	3.4
117.01845	5.2
119.03418	1.1
119.08588	6.0
121.02934	0.4
121.06539	1.0
123.04445	4.1
127.03929	0.6
129.01851	2.7
130.99777	0.6
131.03398	0.9
132.55414	0.5
135.04434	0.6
135.08093	2.0
137.09659	28.2
138.10013	1.6
139.00336	0.5
155.03435	0.5
157.01419	1.3
161.04503	2.0
161.05847	0.6
163.03964	0.6
163.07614	2.8
167.78024	0.5
173.04552	3.2
175.02406	4.0
176.03964	0.7
179.05597	0.9
181.08662	8.5
182.09085	0.6
189.03951	0.8
191.05602	12.3
191.07343	0.6
192.06001	0.6
197.10950	0.5
205.07211	0.9
207.05090	1.0
231.05136	3.7
249.06197	54.0
250.06487	2.9
257.08255	3.5
267.07275	45.9
268.07620	2.5
269.17642	0.8
299.02023	1.1
371.13385	0.8
371.20859	1.4
389.21960	0.9
413.14505	1.5
431.15686	100.0
432.15973	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.157
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
55.01767	1.3
57.03334	6.9
58.00478	3.0
59.01267	97.1
60.01606	1.1
69.39687	9.4
71.01273	45.5
72.01584	1.1
72.99210	4.8
73.02844	4.7
78.95802	1.5
83.01278	3.4
85.02853	7.6
87.00774	2.5
89.02341	65.3
90.02664	1.5
93.03356	2.6
95.01309	2.0
96.96855	1.2
97.02871	1.9
99.00796	1.9
99.04433	3.8
101.02348	27.3
108.02113	1.3
111.00747	1.1
113.02370	14.7
119.03432	16.3
119.04922	15.5
123.03238	1.0
125.02386	9.8
131.03450	2.1
133.81749	0.8
137.02393	3.9
137.05995	1.8
138.01917	8.4
138.05553	27.2
143.03462	2.7
149.04492	3.2
161.04535	3.5
162.65018	0.9
179.03375	1.7
179.05606	7.6
185.09012	0.9
191.05591	4.1
194.05919	1.5
195.06537	1.3
209.08220	3.4
233.06650	1.3
269.10333	33.1
270.10672	3.0
293.08762	2.0
431.15698	100.0
432.15872	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	431.1207
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
57.03339	77.2
58.60881	1.1
59.01267	30.3
69.03336	2.5
70.48660	3.4
71.01273	13.9
71.63902	1.0
72.99214	1.1
73.02830	2.5
83.01270	2.1
85.02837	3.7
89.02333	15.3
93.03351	1.8
95.01294	1.5
97.02862	14.6
99.04421	45.6
100.04753	1.4
101.02349	21.0
113.02344	2.9
119.03391	3.8
119.04903	2.2
125.02370	100.0
126.02713	2.7
137.02399	1.7
138.01924	1.7
138.05566	6.2
143.03436	2.9
149.04524	1.4
161.04561	5.0
179.05498	1.2
191.05539	3.5
203.05653	1.5
221.85039	1.1
242.02499	1.1
269.10339	4.9
431.15829	16.2
432.15784	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50925	0.6
57.01306	0.8
57.03337	78.1
58.03680	1.5
59.01265	45.3
69.03343	3.2
69.49043	5.1
69.49469	1.8
71.01272	11.2
71.17204	0.7
73.02839	3.6
75.00753	1.1
78.95829	1.0
79.40520	0.7
81.03368	1.1
83.01289	2.6
83.02448	0.9
85.02837	4.7
87.00766	1.5
89.02342	3.3
95.01312	1.7
96.95905	3.5
97.02856	15.0
99.00783	2.0
99.04422	49.1
100.04728	0.9
101.02344	19.1
113.02345	3.6
119.03396	1.4
125.02366	100.0
126.02686	3.5
137.02383	1.9
143.03436	2.3
149.04492	1.2
159.02902	0.9
161.02266	0.8
161.04466	7.6
191.05635	4.0
195.06650	1.9
203.05595	2.4
207.06625	0.8
242.52269	0.8
243.08795	1.6
269.10339	1.5
371.20709	1.1
431.11246	1.9
431.16241	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	15.9
70.97816	6.3
93.03374	56.2
96.95963	3.1
137.02382	100.0
138.02658	3.6
185.30716	2.8
371.20969	4.0
431.11993	38.6
454.55231	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01609	1.1
69.10235	0.2
71.01291	0.5
71.51967	0.5
78.95780	0.3
80.02571	2.6
81.10532	0.3
89.02345	0.5
99.04412	3.6
99.04998	0.3
124.01589	24.7
125.01979	0.7
155.24335	0.2
186.37836	0.3
203.59299	0.2
219.40633	0.2
329.17685	0.9
385.23703	0.3
416.33356	0.3
429.22876	9.1
429.29181	0.4
430.23291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0994
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
52.97007	0.4
53.44375	0.5
57.03274	1.4
57.03631	0.3
59.01205	49.0
59.41048	0.5
60.01566	1.1
65.00157	0.5
67.01736	0.6
67.05382	0.8
68.99657	0.6
69.03300	1.0
71.01275	14.2
71.01640	0.8
71.60394	0.6
72.99137	2.6
73.02834	2.6
75.00771	5.1
77.03841	3.3
78.95743	0.9
79.01727	2.0
81.03281	0.8
83.01207	1.3
83.04866	0.5
85.02842	10.3
87.00772	4.1
88.03905	0.8
89.02344	7.1
91.03822	0.4
93.03361	5.4
95.01231	2.1
96.95860	0.8
97.02827	1.1
99.00793	4.4
99.04426	0.5
100.03868	0.6
101.02354	5.1
105.03317	1.6
107.01248	0.6
108.02077	0.7
109.02831	0.7
111.00761	0.7
111.04434	5.1
113.02356	12.4
115.00255	0.5
117.01882	0.8
117.03378	13.5
119.03367	1.4
119.04982	2.9
119.08584	2.7
121.02876	2.8
123.04429	0.6
125.02334	0.8
129.01797	1.1
131.03383	0.7
131.98820	0.4
133.02826	1.1
135.04454	3.7
137.02309	1.6
137.09595	1.1
143.03407	0.6
145.02806	1.3
147.04449	1.1
148.01552	0.7
149.02391	2.8
151.00296	0.8
159.04466	3.3
161.02403	7.7
161.04446	1.5
163.00215	1.3
163.03969	6.2
163.07564	0.9
164.04269	0.5
165.01848	1.2
166.02550	0.9
167.03465	0.5
173.02385	0.5
173.04550	1.1
173.05914	0.7
175.03964	0.7
179.03432	0.6
179.05511	0.8
181.08698	3.7
182.03648	0.8
183.04401	0.7
183.08154	0.5
185.02351	0.5
187.07616	0.5
191.03450	1.8
191.05528	6.8
193.01343	0.6
195.04478	0.5
195.08026	0.6
196.05191	0.9
197.05962	1.4
199.03914	0.5
203.03474	1.1
209.06071	0.6
211.07625	1.3
215.07155	1.5
224.04802	0.9
227.16541	0.7
237.05544	0.5
239.07077	2.5
240.04356	0.5
243.06725	0.5
249.03807	0.8
249.06203	10.0
253.05013	0.8
255.06821	0.8
267.07281	23.8
268.03970	2.9
268.07574	1.1
269.04572	5.0
279.06528	0.5
281.04623	6.6
282.05328	4.0
283.06195	67.9
284.06470	6.4
293.04660	3.3
295.06274	2.5
309.04462	0.7
311.05692	100.0
312.06036	10.7
314.04446	0.8
322.07306	0.5
323.05640	6.3
324.06204	0.9
325.07010	0.5
337.03787	0.7
341.06732	13.9
342.07150	1.5
353.06824	1.2
361.11450	3.3
371.20987	0.9
378.77765	0.5
389.22119	0.9
413.09641	0.6
413.14691	1.6
431.10068	62.6
431.15817	14.2
431.22812	1.3
432.10394	10.2
432.16232	1.5
434.20734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01593	1.1
61.98719	0.7
69.98448	0.5
71.01259	1.0
77.16315	0.5
77.27568	0.6
78.54408	0.5
78.95785	4.2
83.04889	0.7
85.02864	1.6
89.02378	0.7
91.03881	0.8
96.95914	1.7
96.96900	1.1
98.19759	1.3
99.04414	8.5
106.15795	0.7
113.02414	0.7
124.01584	10.7
152.99516	4.3
158.50143	0.6
163.81334	0.6
191.14420	0.7
214.53563	0.5
219.13982	0.6
275.20340	0.7
277.21912	1.4
295.22855	6.6
296.23074	1.1
303.19720	14.1
303.23083	0.9
304.20419	1.1
325.12213	0.6
346.19473	0.6
385.23819	1.1
429.22879	11.1
430.23651	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	429.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66479	0.3
59.01265	100.0
60.01603	1.2
70.86176	0.4
70.86508	0.6
80.02592	0.5
99.04421	1.4
117.62531	0.3
120.39462	0.3
124.01588	4.2
157.87411	0.3
162.90764	0.3
165.88821	0.3
199.43694	0.3
224.11287	0.3
316.24167	0.3
329.17859	0.5
429.22995	2.3
430.23340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41618	0.5
59.01267	100.0
60.01617	1.1
61.98716	0.8
71.45516	0.9
85.02846	0.5
87.00803	0.8
89.02343	0.7
91.03889	2.5
94.17775	0.5
99.04414	6.0
104.54375	0.4
124.01586	1.1
140.63133	0.5
158.20326	0.4
195.13925	1.0
277.21841	0.9
295.22867	13.0
296.23212	1.2
301.52563	0.6
329.17722	1.5
372.06671	0.5
429.22916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
59.01265	100.0
60.01608	1.1
69.03352	0.9
71.01292	0.5
71.56354	0.7
74.41371	0.4
76.61282	0.4
78.95812	0.8
83.04913	0.8
85.02867	0.6
87.86520	0.4
88.51764	0.4
89.02326	0.6
91.03909	0.5
97.02876	0.5
99.04418	12.0
113.02378	1.0
117.26749	0.4
123.08081	0.5
124.01593	3.2
135.04482	1.2
152.99579	1.4
183.13974	1.1
187.07701	0.9
218.09581	1.4
270.16406	1.1
285.18698	0.6
295.22870	5.4
296.23285	0.7
303.19836	2.4
309.26587	0.4
317.14636	0.5
333.21069	0.5
385.24081	2.1
429.22867	6.8
430.23395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01602	1.8
61.98712	1.2
69.92904	1.2
69.93316	1.7
71.01261	0.8
78.95821	0.8
87.00818	0.6
89.02368	0.6
91.03902	1.0
96.95930	1.1
98.20515	0.7
98.26579	0.5
99.04460	2.1
101.02359	0.6
115.05193	0.6
117.97100	0.5
124.01634	2.0
152.99550	1.4
173.50481	0.5
225.15529	0.6
277.21878	1.1
278.27170	0.6
295.22879	6.9
296.22928	0.8
429.22800	1.0
443.41461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66479	0.3
59.01265	100.0
60.01603	1.2
70.86176	0.4
70.86508	0.6
80.02592	0.5
99.04421	1.4
117.62531	0.3
120.39462	0.3
124.01588	4.2
157.87411	0.3
162.90764	0.3
165.88821	0.3
199.43694	0.3
224.11287	0.3
316.24167	0.3
329.17859	0.5
429.22995	2.3
430.23340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91874	0.2
55.01772	0.6
59.01274	2.0
61.98725	0.2
69.03385	0.2
70.81889	0.5
83.04919	0.5
85.02848	100.0
86.03178	2.2
87.00769	0.2
89.02337	0.3
94.14606	0.2
97.02843	0.7
97.06464	0.2
99.04467	0.2
109.02869	0.3
110.03653	0.2
111.04419	0.3
122.03722	0.3
124.01597	0.2
133.19559	0.2
137.76053	0.2
179.07104	0.5
208.16710	0.2
271.20773	0.5
299.20224	2.9
300.20596	0.3
317.21521	0.3
329.21280	0.6
341.25012	0.2
385.23941	16.5
386.24234	2.4
429.22922	55.4
430.23276	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	429.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81596	0.4
57.03336	1.9
59.01266	6.9
61.98719	0.7
67.01762	0.7
67.19965	0.5
69.03343	10.9
69.99557	0.8
69.99975	1.5
71.04963	0.5
75.55596	0.4
83.04907	1.3
85.02852	1.6
93.03347	0.8
96.95912	1.0
97.02847	0.9
97.06513	0.5
99.04420	15.2
107.04931	0.4
109.06461	1.0
111.00797	0.8
113.02358	9.6
115.03883	0.6
119.04909	1.1
119.40914	0.5
121.06513	100.0
122.06846	3.3
123.08075	4.5
124.01594	1.1
125.09653	1.7
135.08092	0.6
137.06047	0.5
137.71310	0.5
139.07588	1.2
147.08101	2.6
147.11696	0.9
149.09673	1.0
163.11234	1.5
165.12840	3.0
167.14330	0.9
171.01915	0.6
173.06027	0.9
174.05496	0.6
174.06798	3.9
200.08513	0.6
201.09093	0.6
219.14076	0.4
219.17625	3.2
239.14346	0.7
251.77592	0.5
255.14108	0.5
271.20740	17.3
272.21121	1.6
285.18793	0.9
287.20276	0.8
289.21799	76.5
290.22131	7.9
297.74606	0.5
303.19788	0.6
315.19733	0.9
329.17551	0.6
333.20795	36.3
334.21075	4.2
341.21262	0.9
367.22833	5.0
368.22839	0.7
385.24200	1.0
411.21899	11.3
412.22156	1.7
429.22910	9.4
430.23129	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
57.03341	0.8
59.01267	6.5
67.01778	2.3
69.03345	74.6
69.47588	1.7
69.48011	1.9
70.03694	1.0
71.01258	1.0
71.04916	1.0
80.02583	0.6
81.03341	1.1
83.01307	1.2
83.04913	3.3
84.02062	0.9
85.02846	3.8
87.00831	0.6
95.01273	0.7
95.04945	0.8
97.02854	15.0
97.06501	3.0
98.20566	0.9
99.04421	33.5
99.08957	0.5
100.04772	1.1
100.11437	0.5
101.05955	0.8
107.04906	0.6
109.02809	0.6
109.06512	1.3
111.00765	0.5
111.04409	0.7
113.02359	100.0
114.02703	2.5
115.03932	1.8
121.06490	1.8
122.03625	0.7
123.08071	5.4
124.01578	8.4
133.06480	0.7
135.04449	0.6
137.06020	0.7
145.10173	1.2
156.81993	0.5
161.02420	0.7
161.09741	1.2
162.06892	0.8
163.11238	4.6
165.12801	2.0
173.06001	1.2
175.07518	1.0
187.07526	0.8
189.09164	6.7
189.12790	0.5
191.10696	1.1
207.10252	1.4
209.11826	0.6
217.12354	1.1
220.58340	0.5
224.71762	0.5
241.60255	0.6
271.20767	0.9
273.18747	0.6
285.18802	0.7
287.20303	0.7
289.21820	0.9
297.18643	1.7
315.19708	12.8
316.20041	0.9
329.17682	2.9
333.20786	87.7
334.21115	10.8
342.60052	0.5
385.23914	2.1
429.22885	18.9
430.23343	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	429.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84486	0.2
54.46140	0.2
57.03339	0.6
59.01266	2.0
61.98721	0.5
66.71957	0.2
69.03333	1.3
70.03716	0.2
70.90282	0.6
71.04907	0.3
80.02584	0.3
83.01276	1.0
83.04924	0.7
85.02843	0.5
93.79996	0.2
96.95916	0.2
97.02844	0.3
97.06490	0.5
99.04422	100.0
100.04749	2.7
107.04908	0.2
111.00789	0.7
111.04414	0.4
111.08079	0.3
113.02358	1.3
115.03879	0.3
121.06537	1.2
123.04440	0.3
123.08064	1.1
124.01593	2.6
133.02884	0.4
135.04468	0.5
135.08093	0.3
136.63609	0.2
137.02357	0.3
147.08098	0.3
151.11308	0.2
161.02350	0.6
163.11195	0.3
179.03383	0.3
181.97536	0.2
187.07599	0.3
203.10820	0.3
203.14404	0.3
219.13922	0.3
233.15451	0.2
245.15515	0.3
257.19266	0.2
271.02618	0.4
285.18692	0.8
299.02133	0.3
301.18057	0.3
303.19702	0.9
311.05014	1.1
311.55090	0.4
315.19724	0.4
317.17657	2.9
318.17804	0.3
327.19662	0.2
329.17673	1.5
332.54657	0.2
333.20813	1.2
357.24243	0.2
367.22757	0.2
385.23969	6.5
386.24332	0.9
401.23517	0.3
411.21991	0.9
411.69748	0.2
412.22421	0.2
429.22906	20.4
430.23306	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	429.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14465	0.6
55.77820	0.7
57.03339	10.3
57.54265	0.6
59.01265	11.5
59.08134	0.6
60.99193	1.6
61.98724	1.2
69.03345	9.8
71.01248	1.2
77.26545	0.6
78.95805	0.9
79.05450	1.1
81.03368	1.1
83.04903	6.1
85.02834	1.5
89.44202	0.7
93.07008	7.2
95.04916	1.9
96.95912	4.9
97.06503	4.2
97.07047	0.7
99.04420	86.7
100.04770	2.1
107.04945	2.1
109.06491	5.4
111.04471	0.9
111.08078	3.7
113.02363	7.4
115.03940	1.6
119.04970	2.0
121.06513	100.0
122.06851	4.6
123.08075	39.5
124.01572	3.9
124.08420	1.4
125.09635	8.4
133.06587	1.2
134.07297	1.7
135.04491	1.4
135.08090	25.3
136.05225	1.5
136.08424	1.4
137.06015	1.8
137.09636	5.4
147.08101	18.7
148.08426	1.2
149.06007	2.1
149.09663	3.0
151.07565	0.9
151.11229	4.7
159.08034	0.9
161.09683	7.5
163.07643	1.2
163.11249	8.0
166.06339	1.7
169.29315	0.8
172.08876	1.3
173.09705	1.0
173.13309	2.9
175.11253	2.6
177.09178	0.7
177.12917	1.3
179.10759	6.3
181.12260	0.9
189.12828	0.8
191.05745	0.7
200.08481	0.7
201.12836	0.9
203.10748	1.1
203.14386	1.2
215.14424	2.5
217.15942	1.5
219.13969	5.4
219.17400	0.8
227.14377	1.2
229.16122	0.9
233.15514	3.4
243.13947	0.7
245.15524	13.0
246.15829	1.5
247.17108	2.9
255.17564	1.6
257.19168	4.8
259.17120	2.6
267.17761	1.2
271.20740	2.4
273.18616	1.4
275.20227	5.5
285.18671	48.0
286.18958	4.2
289.21860	3.8
301.18195	2.9
302.18686	0.7
303.19720	84.8
304.20071	7.3
323.23846	1.7
324.24371	0.7
329.17657	2.5
333.20731	4.6
341.24747	3.8
342.25397	0.7
367.22818	4.1
385.23929	64.2
386.24301	9.5
404.48752	0.8
411.21899	6.6
429.22879	83.1
430.23160	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	429.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65101	0.1
51.75880	0.1
54.27127	0.1
57.03348	0.2
58.00491	0.2
59.01266	100.0
60.01609	1.1
61.98716	0.2
67.01767	0.2
68.59592	0.2
69.03348	0.3
69.39657	1.2
69.40067	0.4
71.01273	4.3
72.47594	0.2
72.99190	0.4
73.02833	1.3
73.89545	0.1
78.95798	0.6
81.03358	0.2
83.01292	0.5
83.04960	0.2
85.02844	1.9
87.00786	0.8
88.03951	0.8
89.02334	2.6
93.03371	1.6
95.01291	0.4
97.02846	0.2
98.02382	0.2
98.19742	0.2
99.00767	0.3
100.03959	0.7
101.02355	2.5
108.02081	4.7
109.02899	1.2
111.04442	0.2
113.02354	2.3
119.03433	0.9
119.04967	0.6
121.02917	0.5
125.02383	0.4
130.08694	0.5
131.03426	0.2
133.02960	0.2
135.04463	0.5
143.03394	0.3
145.02896	0.4
152.01097	8.3
153.01686	0.4
155.03423	0.2
161.04480	1.0
163.03943	0.3
163.11290	0.2
173.04558	1.2
179.05576	0.3
181.04991	0.2
188.03508	0.1
188.42297	0.2
189.12833	1.1
191.05591	4.7
192.05927	0.7
203.28429	0.2
207.13968	0.3
211.07739	0.2
223.70256	0.1
334.72336	0.2
342.16885	0.8
369.19199	0.4
385.43506	0.2
386.15598	0.2
387.20377	1.2
388.20889	0.2
393.21432	0.2
394.19897	0.3
416.01349	0.2
428.61240	0.2
429.10406	5.7
429.21506	0.6
430.10617	0.7
430.18124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21370	0.4
56.23859	0.4
57.03344	2.5
59.01262	5.5
69.03345	1.6
71.01273	0.5
72.83937	0.4
72.91035	0.4
78.56945	0.4
83.01269	0.9
83.04929	2.1
85.02854	0.4
93.03383	0.6
93.06992	4.6
94.07253	0.4
96.95917	7.7
96.96557	0.5
96.96843	0.8
97.02814	0.5
97.06481	1.5
99.04420	100.0
99.92510	0.4
100.04742	2.7
107.04960	0.8
109.06511	2.8
111.08038	0.7
113.02390	0.6
121.06511	29.8
122.06850	1.5
123.08079	11.9
124.01601	4.1
124.08389	0.4
125.09637	1.4
134.07286	0.6
135.04466	0.5
135.08089	6.0
136.05202	1.4
137.02371	0.4
137.06001	1.0
137.09645	1.9
139.07536	0.8
147.08105	7.2
149.06041	1.8
149.09656	0.5
151.07570	1.0
151.11230	1.6
161.09660	2.3
163.11203	2.1
166.06252	0.4
172.08861	0.4
173.09618	0.4
173.13307	1.2
173.67560	0.4
175.11272	0.8
177.12842	0.5
179.10715	1.8
181.12276	0.6
187.14760	0.5
189.12856	0.8
201.12921	0.5
203.10782	0.7
215.14426	0.9
217.16011	1.0
219.13974	2.4
219.17505	0.8
228.83897	0.5
233.15511	0.9
241.15945	0.5
245.15457	4.1
247.17068	1.1
252.87263	0.5
257.19238	1.1
259.17029	1.1
262.15674	0.5
263.16687	0.5
267.17484	0.5
271.20645	0.6
275.20105	2.1
285.18661	13.0
286.18991	1.1
301.18161	1.2
303.19705	26.1
304.20166	2.4
323.23853	1.7
329.17554	2.3
334.20831	0.4
339.23364	0.5
341.21329	0.6
341.24884	3.3
357.24408	0.9
367.22739	1.4
385.23923	28.2
386.24292	4.6
401.23270	0.8
411.21887	1.2
429.22891	42.6
430.23300	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	429.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71513	0.2
59.01272	0.6
60.58320	0.2
64.31342	0.1
71.01296	0.2
71.49085	0.3
75.54906	0.1
76.69713	0.1
80.02586	0.2
99.00784	0.2
99.04415	0.4
99.92477	5.3
100.92608	0.2
100.93260	3.1
113.92523	0.1
115.91987	100.0
116.91994	5.9
116.92782	6.1
117.92784	0.3
119.20943	0.1
123.45075	0.2
124.01594	2.3
132.92271	1.3
142.94305	0.3
155.95103	0.2
172.95425	6.3
173.95456	0.5
204.94421	0.2
224.11360	0.2
236.54146	0.1
255.23364	0.7
258.01273	0.1
355.15683	0.7
356.16318	0.3
371.15207	0.4
381.17477	0.9
411.18539	0.2
429.19275	5.8
430.19400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2138
Annotation	Dendroside F
Peak:m/z	Relative Intensity
57.03331	0.4
58.00486	1.0
59.01266	100.0
60.01605	1.2
65.31206	0.4
71.01273	13.3
71.12758	1.0
72.99201	1.2
73.02837	1.6
78.95805	2.7
82.67621	0.4
83.01283	0.7
85.02849	3.4
85.05779	0.4
87.00780	1.4
89.02341	15.8
93.03378	0.4
93.32164	0.4
95.01286	0.9
96.96844	2.3
101.02350	7.2
109.02883	1.4
113.02357	6.5
119.03424	8.0
121.52890	0.4
131.03474	0.8
135.00847	0.6
137.09627	2.2
138.13867	0.4
143.03493	1.3
149.04517	0.6
153.01886	2.7
161.04482	2.2
166.90024	0.4
179.05577	5.2
181.12367	0.6
189.12741	0.4
191.05652	1.1
197.96353	0.4
225.14995	1.1
233.09485	2.4
267.16351	0.5
369.19382	0.7
429.21796	3.0
430.22287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65101	0.1
51.75880	0.1
54.27127	0.1
57.03348	0.2
58.00491	0.2
59.01266	100.0
60.01609	1.1
61.98716	0.2
67.01767	0.2
68.59592	0.2
69.03348	0.3
69.39657	1.2
69.40067	0.4
71.01273	4.3
72.47594	0.2
72.99190	0.4
73.02833	1.3
73.89545	0.1
78.95798	0.6
81.03358	0.2
83.01292	0.5
83.04960	0.2
85.02844	1.9
87.00786	0.8
88.03951	0.8
89.02334	2.6
93.03371	1.6
95.01291	0.4
97.02846	0.2
98.02382	0.2
98.19742	0.2
99.00767	0.3
100.03959	0.7
101.02355	2.5
108.02081	4.7
109.02899	1.2
111.04442	0.2
113.02354	2.3
119.03433	0.9
119.04967	0.6
121.02917	0.5
125.02383	0.4
130.08694	0.5
131.03426	0.2
133.02960	0.2
135.04463	0.5
143.03394	0.3
145.02896	0.4
152.01097	8.3
153.01686	0.4
155.03423	0.2
161.04480	1.0
163.03943	0.3
163.11290	0.2
173.04558	1.2
179.05576	0.3
181.04991	0.2
188.03508	0.1
188.42297	0.2
189.12833	1.1
191.05591	4.7
192.05927	0.7
203.28429	0.2
207.13968	0.3
211.07739	0.2
223.70256	0.1
334.72336	0.2
342.16885	0.8
369.19199	0.4
385.43506	0.2
386.15598	0.2
387.20377	1.2
388.20889	0.2
393.21432	0.2
394.19897	0.3
416.01349	0.2
428.61240	0.2
429.10406	5.7
429.21506	0.6
430.10617	0.7
430.18124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.5
56.72852	0.3
57.03339	0.6
58.00489	0.6
59.01265	100.0
60.01608	1.2
64.70069	0.3
69.03348	0.7
69.46531	3.1
71.01268	16.6
72.99205	0.7
73.02835	18.4
74.03186	0.5
75.00756	0.4
78.95808	1.1
83.01276	4.9
85.02839	3.0
87.00775	1.3
89.02345	4.5
95.01286	0.8
96.96877	0.9
97.02866	0.7
98.02385	0.5
99.00797	0.6
101.02345	13.6
108.02103	0.6
109.06505	0.5
113.02356	4.4
119.03413	1.6
123.04467	0.5
124.01620	0.4
125.02370	0.9
131.03452	1.1
131.47475	0.4
143.03433	0.8
145.36333	0.3
145.76892	0.4
149.04507	0.5
152.01065	0.6
159.89429	0.3
161.02507	0.4
161.04538	1.4
162.04796	0.3
163.11230	4.7
167.03499	0.4
171.10223	1.4
185.02158	0.4
191.05608	1.7
192.04196	0.7
207.06726	0.9
207.10262	11.8
208.10515	0.8
218.03107	0.4
225.11406	0.4
229.70093	0.4
262.28561	0.4
266.12552	0.4
309.13693	0.4
309.72305	0.4
369.15564	2.7
370.15802	0.4
387.16641	8.8
387.21289	0.6
388.16998	0.6
429.17731	92.2
430.18103	13.2
452.05829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34541	0.2
53.56806	0.1
58.00483	0.2
59.01265	100.0
60.01607	1.0
69.03362	0.2
71.01273	6.2
71.59267	0.2
72.65824	0.2
72.99216	0.4
73.02835	4.6
73.69641	0.2
75.00772	0.3
78.52699	0.2
78.95813	0.4
79.05439	0.2
83.01285	1.6
85.02850	2.0
87.00796	0.5
89.02334	2.1
89.02837	0.2
93.03346	0.3
95.01305	0.6
96.95930	0.7
96.96886	0.7
97.02886	0.2
97.22103	0.2
98.02396	0.3
99.00778	0.4
101.02350	6.6
113.02357	3.9
119.03395	0.9
125.02383	0.4
131.03456	0.5
135.04463	0.3
143.03380	0.9
145.05005	0.2
147.08136	0.3
149.04526	0.5
152.01126	0.3
159.03064	0.2
161.02431	0.3
161.04489	2.5
173.04599	0.2
179.03433	0.2
179.05692	0.3
191.05640	0.4
209.92981	0.1
221.06560	0.2
225.15074	0.6
249.06236	0.4
267.07166	0.2
309.13489	1.5
327.14563	4.0
328.15042	0.3
369.15729	1.5
369.19379	0.3
370.19116	0.5
387.20599	0.6
388.20190	0.2
429.22504	0.3
430.21255	0.2
444.36224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49876	0.7
59.01266	100.0
59.39661	0.6
60.01603	0.9
66.59039	0.7
69.70174	2.3
69.70590	2.2
71.01269	6.8
73.02842	11.2
78.95798	9.9
83.01284	3.1
85.02863	1.6
85.48020	0.7
89.02374	2.3
92.47592	0.6
93.41161	0.7
96.96861	9.7
101.02350	18.2
108.48329	0.7
109.39359	0.6
113.02351	6.5
119.03439	1.8
123.04451	0.7
125.02364	0.7
131.03435	1.5
143.03511	1.8
149.04523	2.5
152.01054	1.0
161.04489	6.6
191.05756	0.8
221.06763	1.3
233.09480	7.1
234.09966	1.3
235.10104	0.8
247.20416	0.7
249.09003	3.3
261.51932	0.7
327.14816	1.4
429.10318	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	1.3
55.68643	0.5
57.03344	4.2
59.01265	14.1
63.02308	0.5
64.28378	0.5
65.00227	0.7
67.01790	2.8
68.99708	3.3
69.03368	2.2
69.82268	1.2
69.82682	2.2
71.01272	25.2
72.01638	0.6
72.99214	1.0
83.01270	2.9
84.02092	0.7
85.02846	27.5
86.00046	0.7
87.00784	8.5
89.02399	1.4
91.03909	1.1
94.15583	0.5
95.01293	5.8
99.04401	0.7
101.02386	1.4
103.00286	2.5
103.03912	0.9
107.01311	0.9
111.00782	3.3
112.01621	1.4
113.02361	38.2
114.02736	1.5
121.10153	42.2
122.10523	2.0
124.01618	0.8
125.02391	1.0
127.03918	1.0
129.01895	2.0
131.03458	0.7
139.00343	2.1
147.08107	6.7
151.00342	3.3
153.01860	1.0
157.01399	0.8
165.09171	19.5
166.09561	1.1
176.06596	0.5
187.06076	0.5
195.24762	0.7
205.07162	9.1
218.48497	0.6
226.17241	0.5
231.05145	0.6
249.06155	5.7
263.07782	16.0
264.08026	1.2
277.30249	0.5
281.08841	100.0
282.09198	7.8
299.16867	2.6
429.11911	2.0
429.17667	17.6
430.18188	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	429.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	6.0
59.01268	18.2
63.02290	15.6
65.00212	21.3
67.01785	1.4
71.01275	2.2
71.58768	1.1
71.59173	1.6
75.87785	1.2
83.01286	18.6
89.02319	1.4
93.03353	1.3
95.01315	1.5
107.01299	29.9
108.02107	2.2
109.02891	2.2
113.02345	1.3
120.99519	2.9
123.00828	1.1
123.04462	2.9
124.01580	11.9
125.02385	45.9
135.04463	1.4
151.00320	100.0
152.01114	25.3
153.01903	16.1
159.04546	1.4
160.05225	5.1
168.09816	1.1
169.01402	23.0
173.06053	3.8
174.06929	1.5
175.07639	2.4
178.99843	79.8
180.00159	3.6
181.01425	2.9
187.03999	1.7
187.07605	1.7
188.04802	6.4
189.09158	3.3
199.04001	1.5
202.06305	1.2
203.07164	9.9
214.68192	1.1
242.02336	1.7
243.03036	8.2
243.06728	3.2
247.06183	1.9
255.03059	3.5
257.04727	1.3
259.09833	2.4
261.07697	4.0
270.01660	2.3
271.02567	13.1
276.10052	5.7
285.04138	3.1
299.16675	1.4
300.02792	17.5
303.08966	2.5
314.04492	5.5
341.10431	2.4
351.08884	4.2
369.09845	13.1
397.09372	4.7
429.12036	58.6
430.12430	9.1
451.88641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42407	1.0
59.01266	12.4
71.01272	2.1
71.61874	1.3
72.99164	1.0
75.00767	3.7
78.95795	37.8
79.95650	3.3
83.02438	1.5
85.02800	1.1
87.00771	1.1
96.95919	100.0
96.96871	84.6
97.02857	8.9
97.93029	2.3
99.04430	3.0
108.67719	1.1
114.93340	2.2
117.44662	1.0
124.01565	2.4
127.07568	2.8
148.11076	1.2
189.12839	3.5
191.07190	1.9
205.08644	3.6
224.97585	1.6
283.17136	2.1
313.18167	13.3
331.19226	28.0
332.19540	2.7
369.14804	1.8
429.18652	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54287	1.6
57.01031	1.3
57.03337	3.3
58.00467	1.3
58.20449	1.3
59.01268	36.6
61.98732	3.2
67.01768	1.4
67.25191	1.2
68.99704	1.8
69.03349	2.4
70.76516	3.4
71.01275	37.0
72.99185	7.9
73.02832	4.1
75.00764	15.1
78.95786	1.7
83.01283	1.9
85.02844	34.5
87.00771	12.0
89.02349	13.9
91.03924	1.2
93.03354	5.3
95.01280	6.9
96.96873	1.9
99.00784	13.7
101.02355	6.9
103.00272	2.2
106.04143	1.8
107.04957	6.1
108.02065	3.9
109.02871	11.2
111.00793	3.2
113.02364	39.8
115.00271	2.1
117.01824	1.5
117.03357	2.5
119.04949	1.8
121.02861	2.4
123.04447	1.8
129.01862	2.6
131.03448	1.9
133.02893	11.8
134.03645	3.7
135.04468	29.9
136.04807	1.4
137.05972	2.0
145.02936	1.6
146.03650	1.5
152.01131	1.7
161.02402	35.7
161.04451	1.9
161.05995	1.4
162.02792	1.9
163.03931	2.3
173.04488	1.7
175.02391	2.1
178.02689	1.3
179.03461	27.8
180.03882	1.6
181.05087	2.4
191.05568	10.1
192.05927	1.4
206.75818	1.4
231.04950	1.5
249.06194	38.1
250.06555	3.2
253.07227	2.6
267.07281	100.0
268.07581	6.0
391.30222	1.4
429.10437	69.5
429.17706	17.2
429.23325	2.6
430.10480	7.8
430.18353	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70309	0.3
59.01263	100.0
60.01596	1.1
60.84285	0.2
65.35731	0.3
70.51585	0.5
76.02250	0.3
89.02328	0.4
91.03909	2.2
99.04401	0.4
114.18282	0.2
171.10236	1.0
195.13846	0.3
226.32608	0.3
228.13501	0.3
235.17072	0.4
275.20227	3.4
276.20731	0.3
293.21307	8.0
294.06189	0.2
294.21643	0.9
334.39813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34722	0.9
59.01265	100.0
59.46767	0.8
61.98718	2.1
69.61333	0.9
71.01247	1.2
89.02348	1.6
90.96916	0.8
99.04425	2.1
148.05246	1.4
152.99513	2.0
163.07568	1.7
171.10132	2.2
275.20172	2.1
290.96906	1.1
293.21240	4.8
344.94409	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	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01595	1.5
61.98721	0.4
68.58504	0.2
69.42770	0.6
69.43166	2.2
71.01273	0.4
72.62492	0.3
89.02337	0.4
91.03930	1.0
95.90175	0.2
97.02866	0.3
98.20473	0.6
99.04420	3.8
113.99804	0.3
115.44539	0.3
115.91913	0.3
124.01617	0.5
163.07671	0.4
235.17036	4.1
236.17427	0.4
257.19257	0.5
275.20209	6.7
276.20593	0.8
283.17255	0.7
293.21246	4.2
294.21747	0.4
327.16193	0.8
427.21298	0.6
428.30157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.0
57.03341	1.7
59.01266	100.0
60.01600	2.1
66.11122	0.6
67.01765	1.7
68.01300	9.4
68.99727	2.1
69.03345	1.8
69.11865	0.7
70.44940	1.6
70.45331	1.4
71.01270	21.3
71.01669	1.0
72.99197	0.8
73.02840	4.6
74.47954	0.7
77.14314	0.6
82.02909	0.9
83.01305	2.1
85.02844	10.5
85.87976	0.8
87.00788	2.3
89.02356	0.9
93.03359	12.9
95.01308	1.7
97.02837	1.6
99.00816	1.6
101.02359	4.9
103.00380	0.7
106.59602	0.8
107.01294	1.4
110.02376	4.8
111.87293	0.7
113.02357	9.2
114.74572	0.7
120.82571	0.8
121.10150	4.9
125.02382	3.2
129.87111	0.7
135.04457	0.7
145.02910	2.0
145.05034	1.3
151.00345	2.7
153.01871	0.8
159.03110	1.2
159.04495	2.0
161.04503	11.1
165.09163	1.1
169.01414	0.8
169.06558	1.6
188.05772	0.8
203.05589	5.2
205.07228	0.8
211.07660	1.3
213.05609	2.0
223.06381	7.6
227.07135	15.7
227.09335	1.0
228.07497	2.1
230.06761	2.7
239.07153	25.5
240.07545	2.4
250.08791	6.6
251.06992	0.8
253.08759	1.2
259.53708	0.7
263.07898	1.9
267.06735	2.0
271.02600	1.4
278.08160	0.9
281.08688	15.6
429.12003	2.5
429.18005	2.3
429.25055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05767	0.3
59.01265	100.0
59.18719	0.3
60.01608	1.1
61.98724	0.4
71.01280	0.4
71.58678	0.5
78.95798	1.4
85.02846	0.2
93.03372	0.9
99.04441	0.3
113.09653	0.3
124.01581	0.8
130.55528	0.3
133.02901	0.7
135.04462	2.7
147.18648	0.3
148.05284	0.5
151.03931	0.4
152.99535	1.7
157.08647	0.3
161.02463	0.5
163.07629	0.8
173.04512	0.6
178.43021	0.3
179.03529	0.9
191.05606	0.6
241.01527	0.8
245.00987	0.3
269.00922	0.3
270.01758	1.0
271.02484	0.3
293.21298	4.5
294.21475	0.5
298.01181	1.5
299.01971	0.6
308.09149	0.3
377.85117	0.3
427.21387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74984	0.4
59.01267	100.0
60.01566	0.8
71.01276	0.8
71.48520	0.5
71.48854	0.6
73.02260	0.3
73.02836	0.4
78.95805	1.7
84.14265	0.4
89.02340	0.5
93.03371	0.9
96.96860	0.4
99.04417	0.7
99.52773	0.4
102.09200	0.4
124.01625	1.1
135.04460	0.9
148.05312	0.8
152.99498	2.2
163.07655	1.2
292.08853	0.4
293.21332	4.2
321.77444	0.5
381.15503	0.5
434.45956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01596	1.0
69.74062	1.8
73.95879	0.3
78.95792	0.4
85.25710	0.3
90.04373	0.3
99.04460	0.5
113.09660	0.4
115.49068	0.3
124.01609	0.4
133.02948	0.4
134.03680	0.4
135.04440	5.3
136.04900	0.3
141.80215	0.3
151.03979	0.9
179.03502	1.0
214.02640	0.4
241.01447	2.3
242.02353	0.8
245.00980	1.4
270.01794	2.2
271.02386	0.5
280.65552	0.3
293.21274	4.4
293.24414	0.3
294.21753	0.7
298.01230	4.1
298.04126	0.4
299.01904	0.8
308.09058	0.8
332.16599	0.3
352.08475	0.3
367.24915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.3
57.03331	2.6
58.00476	2.9
59.01266	75.5
60.56636	1.1
61.98721	8.5
63.43348	1.1
71.01272	49.3
71.19187	1.7
72.79749	0.9
72.99194	4.2
73.02843	6.8
75.00741	2.0
75.60147	0.9
76.43370	1.0
78.95789	3.6
83.01267	4.6
85.02843	14.8
87.00767	4.0
89.02342	43.5
93.03365	1.8
95.01280	3.1
95.04965	1.1
96.95931	3.9
96.96864	1.3
99.00786	4.2
99.04419	1.4
101.02354	33.7
102.02678	1.4
113.02359	20.4
119.03426	20.5
119.04927	3.6
121.10181	1.7
125.12831	1.1
131.03418	1.0
135.04485	1.3
143.03436	6.3
143.04906	1.1
148.05247	1.3
149.04507	1.3
159.02922	3.1
161.02402	1.3
161.04523	21.5
162.04755	1.3
163.03947	5.0
163.07578	1.9
168.60809	1.1
173.04585	1.6
179.05571	19.0
191.05595	8.4
194.11043	1.3
199.75679	1.3
205.12488	2.0
205.14420	18.1
206.14734	1.7
281.08820	2.6
358.80759	1.1
367.19797	100.0
368.20239	10.7
427.06985	1.7
427.12372	3.4
428.15918	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	427.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.7
57.03335	1.9
58.00503	1.2
59.01266	24.5
60.01614	1.8
61.98716	32.0
68.49202	1.0
69.67887	5.6
69.68291	2.2
71.01268	37.8
72.99223	1.6
73.02838	17.4
75.00774	1.7
78.95789	4.5
79.80743	1.0
83.01276	5.5
84.21360	1.0
85.02841	18.3
87.00790	2.7
89.02332	12.4
95.01267	1.5
96.96871	5.1
97.02838	1.4
99.00768	6.3
101.02349	36.1
102.02712	1.9
107.96105	1.2
109.06525	1.1
109.51756	1.1
109.95898	1.4
113.02354	18.7
119.03458	1.3
119.04994	1.1
125.02383	2.2
131.03485	1.8
143.03429	2.7
159.02933	3.1
161.04518	17.0
163.03877	1.2
163.07532	1.3
176.03725	1.1
191.05539	3.2
221.08115	2.2
235.11884	45.0
236.12219	2.5
348.33652	1.1
367.16071	100.0
368.16458	8.2
427.13568	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	18.7
57.97054	0.7
59.01264	28.1
66.85880	0.9
68.99709	2.1
69.03342	9.4
69.87538	4.1
71.01289	1.7
81.03347	1.0
83.04922	1.5
85.02845	4.9
91.05483	1.1
93.03365	3.4
93.07005	1.5
95.01283	4.7
95.04926	7.7
96.02106	1.2
97.02851	26.9
97.06480	1.8
98.20468	1.0
99.04419	100.0
99.92482	1.4
100.04745	2.7
107.02827	0.9
107.04943	10.3
108.02071	1.0
109.02860	11.1
109.06500	15.5
111.00870	0.9
111.04465	3.6
117.07050	1.2
118.89903	0.9
119.04942	2.4
120.05665	2.0
121.02872	2.3
121.06489	2.5
122.03659	4.8
123.04438	2.8
123.08079	27.7
124.01591	1.9
124.08385	1.0
133.06541	4.6
135.04457	5.0
135.08089	19.9
136.05234	8.8
136.08385	0.9
137.06018	23.6
137.09648	21.0
137.10545	0.6
138.06378	1.1
138.09982	0.8
139.07555	1.5
142.81635	1.0
147.08064	2.2
148.05174	1.1
149.06015	1.9
151.07591	62.4
152.07950	2.5
153.05424	1.1
154.16295	0.7
161.06049	4.1
161.09679	2.5
163.04007	1.0
163.07628	2.0
163.11261	2.9
164.04729	6.5
165.05518	0.8
165.09152	0.9
175.11273	1.1
177.05473	1.1
179.07101	65.0
180.07410	3.6
187.07608	1.5
191.07129	3.3
201.09244	1.9
203.07091	2.6
203.10789	1.5
205.08690	7.5
207.10208	1.3
219.10289	1.4
247.13388	2.8
268.30838	0.7
271.17056	1.9
275.12933	1.0
275.20273	1.1
283.17148	1.2
289.14523	32.3
290.14935	3.8
301.18167	1.7
315.16135	3.5
317.17682	1.0
327.16132	12.3
328.16443	1.1
329.14124	1.7
343.15533	1.7
344.16251	2.8
345.17059	7.5
355.22662	1.0
365.21329	2.1
383.22531	2.5
399.21857	13.5
400.22113	2.8
409.20251	6.6
427.21341	97.6
428.21680	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	427.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.8
57.03335	2.5
59.01270	13.6
61.17935	0.7
61.98710	2.0
67.01785	3.3
68.99704	3.8
69.03349	2.0
71.01274	18.5
71.17609	1.6
72.99188	1.0
73.02848	1.7
75.00761	0.7
83.01286	2.8
85.02847	22.0
85.99966	0.9
87.00782	8.6
89.02334	3.2
89.08254	0.7
91.03919	2.4
93.03367	5.5
95.01300	4.3
96.95931	1.1
97.02860	0.9
99.00764	1.3
101.02348	2.3
103.00253	1.9
109.02925	0.9
111.00806	3.6
111.04418	1.0
113.02364	28.1
114.02708	0.8
116.04960	1.9
117.03394	5.1
119.04951	89.1
120.05325	3.5
121.02910	2.3
129.01863	2.4
134.03630	0.8
135.04460	2.0
137.02400	1.6
139.00319	1.8
144.61803	0.6
145.02898	34.8
145.04056	1.7
146.03238	1.9
157.01375	1.3
161.02377	0.9
163.03967	100.0
164.04305	6.9
173.04543	4.5
189.03954	0.8
191.03958	1.4
191.05600	17.1
205.07129	2.1
227.07407	0.7
231.05087	0.9
237.07701	4.9
249.06183	8.7
250.06613	0.9
263.07809	15.8
264.08218	0.9
281.08859	62.2
282.09146	4.3
337.09586	0.9
351.10895	7.5
352.11237	1.1
395.09769	3.6
427.12537	42.7
428.12949	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	427.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	100.0
58.00487	1.2
58.03664	1.1
59.01264	79.4
69.03326	1.7
69.73576	1.3
69.73981	4.0
71.01273	29.0
72.99201	1.7
73.02836	19.6
75.00757	1.4
76.38103	0.7
78.95795	5.8
79.05429	1.6
81.03365	2.3
83.01268	6.3
83.17542	0.8
85.02827	3.9
87.00768	2.2
89.02338	16.2
93.03364	3.4
95.01337	1.4
96.96873	3.2
97.02880	1.0
97.06482	1.3
98.12817	0.9
99.00779	0.7
99.04420	73.2
100.04787	1.5
101.02344	39.4
109.06494	0.9
111.00813	0.8
113.02351	11.6
113.06025	1.8
114.02663	0.7
119.03410	6.9
121.02869	5.2
123.04436	9.7
125.02367	25.7
126.02705	0.9
131.03476	1.8
135.04460	1.3
137.02377	1.7
141.05519	2.7
143.03416	4.2
149.04526	3.2
153.05511	1.3
161.04480	5.1
173.04460	0.9
179.05643	3.3
183.06537	0.8
191.05621	2.7
205.12291	1.0
221.06595	1.2
228.10471	0.8
233.09454	6.0
298.48114	0.7
301.25922	0.8
307.05780	0.8
325.13132	0.9
353.06921	0.9
427.16223	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	427.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.7
59.00992	1.1
59.01262	12.8
61.98713	3.1
63.50792	0.9
66.36288	1.0
67.01770	2.4
68.99699	3.8
69.03339	3.0
70.43222	1.8
70.43581	2.2
71.01270	21.8
72.99197	1.8
73.02859	1.3
78.95795	2.9
83.01279	2.5
85.02843	25.2
87.00780	8.7
88.98702	4.0
89.02332	4.4
91.03908	2.4
93.03362	3.1
95.01294	4.8
96.95910	2.6
96.96863	2.1
97.02814	1.2
99.00802	1.0
101.02348	2.2
103.00272	2.2
105.66496	0.8
107.34487	0.8
111.00759	3.2
111.04385	0.9
112.01570	1.0
113.02364	31.1
114.71816	0.8
117.03379	5.6
119.04945	88.4
120.05281	4.1
121.02859	1.5
125.02369	1.3
129.01846	1.6
131.03508	1.0
135.04462	1.9
139.00351	1.5
145.02892	39.8
146.03195	2.1
157.01424	0.9
161.02344	2.2
163.03958	100.0
164.04266	4.4
173.04552	1.4
179.35980	0.8
191.05573	14.3
205.07208	2.7
223.06154	1.2
231.05119	1.4
237.07730	5.9
249.06190	9.2
257.16675	0.9
263.07742	21.4
264.08160	1.3
281.08838	81.9
282.09158	4.5
337.09341	2.2
351.10971	11.4
352.10995	1.1
395.10031	7.1
427.12537	73.9
428.12848	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	425.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79848	0.3
59.01265	1.6
61.42476	0.3
67.05412	2.8
69.32525	2.7
71.01261	0.4
71.04908	11.4
71.05305	0.6
72.05219	0.3
72.47173	0.3
80.04946	0.8
82.23699	0.3
85.02814	0.4
91.65925	0.2
94.06483	0.3
98.19800	0.4
99.04400	0.4
114.09185	1.9
116.07111	0.6
130.08669	15.7
131.08974	0.5
140.07104	0.7
168.13878	0.3
184.13397	0.6
186.14975	7.9
187.15367	0.7
194.11844	1.5
212.12939	1.0
230.13986	100.0
231.14336	6.1
429.65564	0.3
440.92920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	5.7
61.10037	0.4
64.59770	0.4
70.67074	0.6
70.67422	1.0
75.10454	0.4
83.04886	0.8
99.04457	0.5
101.02370	0.6
101.03027	0.4
122.89047	0.4
137.86011	0.4
158.86981	0.4
164.11974	0.5
165.12715	0.4
166.76283	0.4
167.14343	0.7
183.13885	12.1
184.14270	0.7
193.12300	1.3
195.13887	26.5
196.14236	1.6
211.13385	37.0
212.13704	2.7
213.14967	10.4
214.15334	0.6
223.13303	0.5
229.14494	0.5
261.22229	0.5
315.27005	3.1
315.30066	0.5
316.27365	0.9
327.26959	0.5
333.28149	0.5
336.90189	0.4
341.24832	0.8
359.25952	3.1
360.26053	0.7
377.26950	3.8
389.26816	0.5
395.28116	0.9
407.27921	1.2
425.29187	100.0
426.29529	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	425.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.8
57.87999	1.2
58.00473	1.5
59.01267	100.0
60.01606	1.7
61.98704	3.3
69.51092	8.1
69.51498	2.1
71.01271	41.2
72.00799	9.1
72.99184	2.9
73.02833	9.1
75.00761	5.1
78.95789	1.6
83.01280	3.0
85.02849	15.1
87.00751	2.8
89.02337	31.4
93.03339	2.8
95.01299	3.6
96.95914	4.2
99.00771	3.6
100.00310	27.2
100.03956	2.5
100.21277	1.1
101.02350	30.6
101.90540	1.1
107.28690	1.1
113.02367	18.0
119.03415	11.6
119.04867	2.4
119.28481	1.3
131.03424	1.3
136.54326	1.4
143.03430	2.7
144.02965	37.0
145.03238	1.4
149.04462	1.6
159.02896	1.7
161.02380	1.7
161.04518	13.5
162.60684	1.3
173.04510	2.2
179.05600	7.8
179.59013	1.3
186.67320	1.3
190.56430	1.1
191.05556	11.1
203.12802	4.0
345.09161	1.2
362.94931	1.3
365.18237	98.6
366.18500	11.5
379.16296	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	425.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.4
55.44123	0.8
57.03329	1.4
58.00480	3.0
59.01266	99.8
60.01592	2.0
61.98713	2.2
64.55647	0.8
69.52381	6.6
71.01271	55.9
72.01617	1.7
72.99190	4.2
73.02850	12.5
74.03174	1.0
81.03363	1.3
83.01263	5.1
85.02841	15.9
86.79929	0.7
87.00775	13.1
89.02338	43.6
95.01303	3.7
97.02846	2.0
98.19674	0.8
99.00786	3.5
101.02348	41.1
102.02672	1.2
103.03947	1.3
113.02360	23.8
119.03426	16.4
125.02370	2.9
131.03389	2.4
143.03444	7.2
149.04495	2.5
159.02989	2.5
160.88452	0.8
161.04504	33.7
165.00813	0.8
179.05586	19.6
180.82141	0.9
185.06554	0.8
185.11797	1.4
191.05594	1.5
195.12994	0.9
203.12889	13.6
204.13103	1.2
205.03474	0.9
209.17711	1.0
247.53143	0.9
305.08841	9.8
323.09854	2.6
365.18243	100.0
366.18527	9.4
369.66928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87235	0.6
51.77163	0.6
51.94738	0.6
52.68453	0.6
57.03342	0.8
59.01265	100.0
60.01591	0.8
61.98721	1.4
63.79100	0.5
64.29013	0.8
66.22149	0.6
71.01269	4.5
73.02857	0.6
74.31707	0.6
77.15659	0.6
78.95798	6.0
79.95625	1.0
82.56580	0.5
83.01323	0.8
83.04912	0.6
85.02854	1.6
87.00784	1.5
89.02334	5.6
91.05431	5.8
93.03364	2.6
94.04495	0.6
96.95914	5.5
96.96853	5.5
101.02337	2.3
113.02363	2.5
115.45910	0.6
117.03376	2.6
119.03419	3.0
119.04934	3.7
123.74400	0.7
128.62726	0.6
134.03656	0.7
135.04442	1.8
136.04967	0.6
136.07851	0.8
137.03473	0.7
145.02846	3.4
161.06026	97.9
162.06378	5.0
163.04012	2.9
173.04515	3.4
179.05585	0.8
191.05573	6.7
193.05008	0.8
233.09491	3.8
243.05219	0.7
265.07239	1.2
337.09241	1.1
352.09750	0.7
354.62506	0.6
357.09863	0.7
360.91174	0.7
381.19077	1.9
423.44736	0.7
425.13519	0.7
425.18619	7.3
426.18579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
70.26939	10.6
71.01259	18.3
73.02827	5.0
83.01268	3.8
85.02834	10.1
89.02345	5.8
101.02368	18.7
113.02366	8.0
115.85283	3.1
159.02934	3.3
161.04524	20.8
171.01474	3.4
194.46170	3.9
222.60515	3.5
365.18204	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	425.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.8
56.67237	0.6
57.03338	1.1
59.01266	100.0
60.01614	0.7
60.51149	0.6
61.98721	7.0
68.66590	0.5
70.10472	0.5
70.96167	1.3
70.96539	0.8
71.01272	30.4
72.01622	1.1
72.99212	1.3
73.02847	9.9
75.00777	1.9
83.01270	4.8
85.02847	14.2
85.79890	0.6
87.00780	1.6
87.04433	1.9
89.02342	9.9
92.91963	0.6
95.01318	2.0
97.06512	1.1
98.09579	0.6
99.00774	3.3
101.02346	28.5
102.02687	0.9
107.70739	0.5
113.02361	11.5
119.03403	3.7
122.67216	0.6
126.78900	0.6
143.03481	2.2
151.03938	1.2
159.02911	2.9
161.04506	25.1
162.04910	0.9
179.05623	2.7
181.05078	0.7
191.05592	2.0
191.07127	1.1
203.12880	10.9
204.13316	0.9
219.06752	1.1
365.18240	54.0
366.18500	4.7
425.16159	1.1
427.24121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03326	2.0
58.00474	3.1
59.01266	100.0
60.01606	1.5
61.98697	2.5
69.79391	5.3
71.01271	60.3
72.99189	7.0
73.02824	3.2
75.00761	10.7
78.95798	7.0
83.01275	3.5
85.02833	14.3
87.00768	3.5
89.02338	65.3
90.02692	1.5
93.03339	1.5
95.01275	4.7
96.95891	2.1
96.96848	4.2
99.00774	1.6
101.02345	48.6
113.02354	27.1
114.02675	1.2
118.72678	1.0
119.03421	35.0
120.03787	1.7
129.42239	1.1
131.03406	1.9
133.02859	1.1
140.07053	0.9
143.03418	3.2
149.04507	2.1
161.02393	3.5
161.04501	5.8
173.06032	35.4
174.06393	2.3
179.05559	9.7
191.05569	5.8
201.05562	45.0
202.05898	3.5
217.05084	1.5
231.77100	1.0
233.01077	1.6
241.01155	3.1
245.04596	5.5
365.18069	4.3
387.16650	4.5
397.11136	1.2
425.10999	82.9
426.11285	9.8
426.17517	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	79.1
60.01592	1.2
60.80288	0.5
61.98734	1.0
70.86427	0.7
70.86745	1.0
71.01264	1.1
73.02861	0.6
78.95795	6.6
85.02852	1.1
87.00777	1.4
88.47404	0.5
91.05433	5.2
93.03352	3.3
96.96864	4.9
106.52114	0.5
111.04346	0.6
117.03372	1.7
119.04937	3.4
133.02881	1.1
133.06602	0.8
135.04445	1.7
137.02425	0.5
138.14600	0.5
145.02873	2.3
161.06029	100.0
162.06364	6.4
163.03918	2.0
164.04497	0.7
173.04527	2.1
179.03447	0.8
191.05574	10.6
192.05907	1.1
192.59018	0.5
233.09502	3.8
249.09032	0.7
339.05112	2.0
352.09680	0.8
357.09814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1463
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
51.90178	0.2
57.03336	0.4
59.01266	6.7
61.98718	2.3
71.01270	5.5
71.04906	0.9
71.58980	0.4
72.99201	0.6
73.02837	1.6
74.17113	0.3
78.95789	0.3
83.01281	0.4
83.04932	0.7
85.02840	2.5
85.75224	0.3
87.00782	0.6
89.02338	2.7
93.03371	1.2
95.01301	0.5
96.95937	0.8
99.00790	0.6
101.02342	3.8
101.05997	1.0
105.03379	0.4
109.02888	0.4
111.04481	0.4
113.02354	2.2
117.03380	1.1
119.03423	1.2
119.04932	1.0
123.04446	0.7
132.02101	1.8
133.02885	31.4
134.03308	1.2
135.04462	8.5
135.05411	0.2
137.02310	0.6
143.03426	0.3
145.02910	0.4
149.04330	0.3
159.02888	0.4
161.02394	100.0
162.02736	5.5
163.04004	1.5
173.04512	1.0
179.03453	4.5
179.05566	0.7
191.05576	3.4
200.05721	0.3
203.12802	0.3
337.09277	0.3
345.09109	0.6
353.09079	0.3
365.18234	3.5
366.18567	0.5
370.61771	0.4
425.14621	72.7
426.15018	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	424.2477
Annotation	Lythranidine
Peak:m/z	Relative Intensity
53.34196	0.2
59.01267	2.0
62.96293	0.3
65.61745	0.2
71.01273	0.3
71.56758	0.4
78.95796	17.0
96.96855	0.7
117.48154	0.2
120.59071	0.3
122.00029	0.9
128.35634	0.2
130.08652	0.5
133.02859	0.2
140.01112	4.8
148.69354	0.2
152.99532	1.8
196.03799	9.3
197.04109	0.3
214.04865	1.6
227.20187	100.0
228.20526	8.8
229.14526	0.4
267.50653	0.2
303.94000	0.3
360.43903	0.3
371.88651	0.3
424.24820	25.1
425.25098	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.2
59.01263	16.3
65.74114	1.4
68.99689	1.8
69.03342	100.0
69.84085	8.9
70.03682	1.7
71.01276	6.2
72.99175	2.6
85.02837	4.5
87.00769	2.2
91.05419	15.1
95.01270	3.6
97.02851	20.0
98.19830	2.0
99.00778	29.0
101.02402	2.4
111.00786	2.1
113.02374	2.8
121.02861	31.7
123.00804	2.1
133.02910	11.8
135.04449	32.7
141.01845	7.6
149.58742	1.8
161.02386	30.3
179.03471	2.6
185.00879	77.0
186.01195	2.7
258.46878	1.9
271.02576	3.3
307.04639	54.2
308.04919	3.5
365.18042	2.0
425.18271	13.6
425.25476	5.8
426.18765	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87280	0.3
54.19201	0.3
55.01763	0.3
59.01260	0.5
69.87870	0.5
69.88277	1.4
78.95795	12.1
82.44047	0.3
94.90710	0.3
94.92962	0.3
104.97347	0.5
110.98435	10.1
114.56902	0.3
137.00139	0.3
152.99519	0.6
166.99689	0.5
167.01108	10.2
185.02193	3.0
205.61795	0.3
255.23337	100.0
256.23685	9.1
297.18607	0.3
423.25269	20.7
424.25577	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	423.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44267	0.3
60.30144	0.3
69.90845	0.7
69.91264	0.9
76.65845	0.3
78.95381	0.3
78.95795	5.4
98.19871	0.4
110.97742	0.4
110.98438	3.8
119.79922	0.3
152.99408	0.5
165.19380	0.3
167.01112	2.6
185.02153	2.8
200.06339	0.3
255.23329	100.0
256.23657	10.4
283.51749	0.4
337.72766	0.3
359.41293	0.4
386.38297	0.3
423.25311	9.9
424.25702	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.2
67.01562	0.2
70.06522	0.4
70.06933	0.8
77.23814	0.2
78.95797	11.7
94.98989	0.4
104.97376	0.6
110.98442	8.3
136.99942	0.3
152.99495	1.0
167.01102	11.5
168.01421	0.4
185.02151	2.6
255.23326	100.0
256.23676	10.0
331.12949	0.2
331.22495	0.2
382.55499	0.2
386.06982	0.2
423.25269	24.1
424.25644	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2526
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
66.76894	0.2
74.38771	0.2
78.95794	16.3
79.71152	0.2
94.98872	0.3
104.97370	0.7
110.98444	9.5
136.99947	0.4
152.99535	3.4
167.01094	11.7
185.02179	2.4
192.85196	0.2
208.59828	0.3
229.28951	0.3
255.23328	100.0
256.23666	10.1
256.26413	0.4
422.78827	0.3
423.25290	25.2
424.25626	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83992	0.5
57.03330	1.5
59.01261	5.4
60.99178	0.9
61.98708	0.6
67.01768	4.0
69.03345	1.2
71.01264	4.1
71.27531	0.7
72.99198	6.7
73.02846	1.0
75.00753	0.7
81.03354	1.2
83.04915	1.0
85.02852	10.8
87.00777	7.9
89.02322	1.5
93.03362	24.4
93.76700	0.5
96.95906	1.5
97.02839	0.8
98.02409	1.1
99.00775	1.0
99.04404	0.8
101.02340	1.1
106.39551	0.5
107.04945	0.6
109.02853	1.5
111.04430	4.4
113.02345	0.9
117.03376	0.8
121.02879	0.9
122.03664	0.9
123.04472	1.0
125.02315	1.2
127.03926	2.5
129.01831	1.3
133.02867	1.3
134.03635	1.3
135.04448	2.4
137.02399	1.4
144.04546	1.1
145.02876	1.5
145.05266	0.8
146.03661	1.5
147.03197	0.9
147.04375	0.6
149.02344	0.8
149.06013	1.0
150.03168	2.7
151.03860	1.2
155.03503	1.3
156.04489	1.9
159.03160	0.8
161.02397	3.3
161.04736	1.3
161.06026	1.4
162.03065	2.4
163.06306	0.7
165.05534	1.7
171.03156	2.1
172.03973	0.6
173.04578	21.8
174.05510	1.2
177.01790	0.5
177.05540	5.1
179.03497	2.0
188.07133	3.7
191.05589	100.0
192.05916	4.4
199.02686	0.6
200.03470	1.4
201.04022	0.7
206.08255	1.6
209.04410	0.7
214.05225	3.0
217.03799	1.7
232.02516	0.8
232.06142	12.2
233.06461	1.4
250.07246	25.2
251.07516	1.7
256.49414	0.6
272.07913	1.6
278.49261	0.5
295.12280	0.6
406.11502	3.6
424.12897	8.1
425.12555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	7.3
57.03337	4.8
58.00483	1.7
59.01267	36.0
61.98712	0.7
69.03345	1.5
71.01272	57.6
71.04910	0.4
71.59309	0.4
72.01610	0.9
72.99204	2.7
73.02840	30.1
74.03164	0.5
75.00758	2.6
81.03369	0.6
83.01276	14.2
84.02078	0.5
85.02847	30.4
86.00003	2.1
86.03188	0.8
87.00772	4.3
87.64220	0.3
89.02340	9.8
89.03849	0.4
93.03373	1.2
95.01289	3.2
97.02858	3.3
99.00783	13.2
99.04433	0.6
101.02350	59.2
102.02693	1.5
111.00795	1.9
111.04452	0.4
113.02361	22.2
114.02694	0.8
115.03934	2.3
117.03409	1.6
119.03433	0.5
121.02907	0.4
125.02366	3.7
127.11198	0.8
129.01848	1.9
129.12785	0.5
131.03409	3.4
133.02890	1.7
134.03676	7.8
135.04466	7.5
136.04744	0.7
137.02383	0.7
139.03922	0.5
143.03413	3.1
145.02870	0.5
147.02907	0.9
149.04483	1.2
159.02943	5.2
161.02556	2.0
161.04504	20.6
162.03175	4.8
162.04659	0.7
163.03928	0.5
165.03969	2.0
173.04530	0.7
173.11847	0.4
175.39784	0.4
176.03990	3.2
176.54128	1.0
177.01857	0.9
177.04335	0.4
178.02675	2.5
179.03453	1.8
180.03938	0.4
191.05623	2.9
199.13417	0.6
205.03613	0.7
224.71483	0.3
231.10359	0.4
233.06764	2.8
275.09323	17.5
276.09622	1.6
291.18207	78.8
292.18582	6.5
293.08786	1.0
321.15515	0.6
326.06277	0.4
331.19232	0.4
335.17078	0.7
342.90866	0.4
423.22458	100.0
424.22769	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	423.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34406	0.1
55.01757	0.1
59.01264	100.0
60.01598	1.2
61.98726	0.1
69.73142	0.3
69.73547	0.6
71.01266	0.9
71.04924	0.2
72.99204	0.2
73.02855	0.3
83.01294	0.1
85.02837	0.7
87.00775	0.2
89.02347	0.5
91.01355	0.1
93.03369	0.5
95.54229	0.1
97.06519	0.1
99.00789	0.1
101.02371	0.5
109.02852	0.2
111.04435	0.2
113.02375	0.3
133.02898	0.4
135.04443	1.3
136.04768	0.2
137.02396	0.1
140.08527	0.1
152.07175	0.2
159.04457	0.2
159.29999	0.1
161.02393	0.8
161.04536	0.3
173.04587	0.4
176.03979	2.0
176.05385	0.2
176.54141	0.9
177.04237	0.2
179.03476	1.3
180.03825	0.2
190.05128	0.1
191.05583	1.5
191.07156	0.2
192.06094	0.2
201.05602	0.3
257.06781	0.3
257.56870	0.3
271.02548	0.2
275.09439	0.3
321.19217	0.7
329.17630	0.1
330.17984	0.2
331.19092	0.1
332.94839	0.1
347.18927	0.2
363.20166	0.7
387.15952	0.4
390.04846	0.1
414.58441	0.1
423.24496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2399
Annotation	Dendronpholide G
Peak:m/z	Relative Intensity
57.03370	0.3
59.01266	100.0
60.01602	0.9
61.98714	0.5
62.93448	0.3
66.07659	0.3
68.03048	0.3
69.31750	1.3
69.32178	1.9
71.01284	3.1
71.88725	0.3
72.99189	0.4
73.02855	0.5
83.01297	0.5
85.02844	1.6
87.00795	0.6
89.02319	1.8
101.02349	2.6
113.02387	1.2
119.03445	0.7
135.04503	0.4
147.08853	0.3
161.02483	0.4
161.04550	0.7
179.03574	0.3
179.05565	0.5
199.17084	0.4
341.11154	0.7
381.22998	1.4
382.23743	0.4
423.23999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01598	1.4
64.30334	0.3
71.18439	0.4
71.61853	0.4
71.62232	0.3
90.21519	0.3
105.48463	0.3
114.26566	0.3
175.90172	0.3
191.07191	0.7
196.43462	0.3
205.08698	0.6
209.11827	0.5
313.18234	0.8
331.19269	4.1
332.19632	0.6
351.76471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92876	0.1
59.01265	100.0
60.01601	1.0
65.43994	0.1
67.01794	0.1
67.17798	0.1
68.01752	0.1
69.76891	0.2
69.77303	0.5
71.01272	1.0
73.02863	0.3
83.01279	0.3
85.02866	0.5
86.35318	0.1
87.00790	0.2
89.02368	0.3
93.03384	0.5
96.95938	0.1
98.19867	0.1
101.02372	0.4
113.02383	0.4
123.04565	0.1
123.08092	0.2
130.68503	0.1
133.02914	0.3
134.03633	0.2
135.04453	1.1
137.02406	0.2
152.07155	0.2
154.81313	0.1
157.94881	0.1
159.02789	0.1
159.04506	0.2
161.02487	0.6
161.04561	0.4
166.61238	0.1
173.04593	0.4
176.03987	1.5
176.05203	0.1
176.54190	0.8
177.04321	0.2
179.03479	0.8
180.03899	0.2
191.05585	1.2
191.07146	0.1
192.05962	0.3
201.05562	0.1
250.38498	0.1
255.16730	0.1
257.06750	0.3
257.57077	0.2
258.06943	0.1
268.32181	0.1
275.09448	0.3
295.17096	0.1
300.02753	0.1
302.90701	0.1
321.19168	0.9
329.17630	0.3
330.18124	0.1
331.19193	0.2
341.08728	0.1
347.18753	0.2
348.19351	0.1
363.20374	0.6
376.53079	0.1
387.15924	0.3
423.24301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29620	1.3
57.03338	1.7
59.01266	100.0
59.58918	1.4
60.01591	1.3
69.74116	7.3
71.01269	42.1
72.99187	2.8
73.02836	11.2
75.00773	2.8
77.28111	1.5
78.95809	2.4
83.01287	4.5
85.02846	17.1
87.00776	5.1
89.02332	20.0
95.01251	3.1
96.96862	3.2
99.00799	4.8
101.02348	29.1
113.02363	16.3
113.89526	1.6
117.03272	1.4
119.03423	5.8
125.02390	1.9
131.04942	2.0
151.00360	1.4
158.03703	4.6
159.02971	3.5
159.04326	1.9
161.02463	2.8
161.04507	25.2
165.09198	2.2
173.04604	2.1
174.03149	4.3
179.03514	1.6
179.05571	2.4
183.10223	2.4
189.05565	22.4
190.05959	2.2
191.05544	9.5
201.11324	5.3
217.05035	13.2
221.14743	1.5
317.46005	1.5
363.16699	75.0
364.17044	9.3
423.09354	1.5
423.18585	3.2
429.62195	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	6.7
59.01267	90.6
61.98711	2.2
62.46225	1.9
63.80469	1.7
69.70559	3.2
69.70965	8.8
70.38102	1.8
71.01270	34.3
71.01620	3.2
72.01572	1.7
72.73422	1.9
72.99194	4.5
73.02837	7.7
75.00761	8.3
78.95815	2.4
83.01273	4.8
85.02843	11.8
87.00764	5.8
89.02339	21.3
91.96372	1.6
95.01292	2.5
95.04926	4.6
96.96817	2.8
97.02866	2.4
97.32098	2.0
98.02396	1.8
99.00815	4.7
99.04417	6.0
101.02356	26.1
101.45490	2.1
113.02360	14.6
117.44334	2.4
119.03433	6.7
125.02368	3.2
129.01852	2.8
135.04454	2.7
148.28116	1.9
149.04591	1.8
151.19347	1.7
161.02332	3.9
161.04544	12.1
163.08679	2.2
173.04604	3.1
179.03433	5.1
179.05568	3.4
183.10193	6.2
189.05568	6.8
191.05605	12.4
201.11284	11.9
217.05128	2.4
250.07179	3.0
346.48230	2.1
363.16690	100.0
364.17139	8.0
423.09534	2.5
423.19186	3.6
435.67133	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2605
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.76198	0.5
54.15332	0.5
55.57657	0.5
56.14008	0.4
56.39009	0.4
57.03338	4.0
59.01270	3.5
59.98405	3.0
60.99186	1.0
61.98685	0.6
65.99317	0.4
70.94891	0.5
70.95230	0.9
83.04918	0.8
85.02842	10.9
85.06490	3.4
87.00758	1.0
87.04412	100.0
88.04739	2.1
99.04415	1.6
101.02324	1.5
103.03909	2.1
111.04424	2.0
116.92807	0.5
121.06516	15.6
122.06877	0.5
123.08080	1.1
125.09618	2.3
126.70544	0.5
139.11174	1.3
147.08060	1.1
149.09734	0.8
161.09700	1.1
167.10707	0.8
167.14354	0.7
175.11244	1.7
176.78200	0.4
187.11272	0.9
191.10725	1.0
201.12871	0.9
203.14435	1.3
219.17653	0.5
244.56598	0.5
255.17628	0.9
257.19235	0.8
271.20743	4.0
273.22345	2.9
289.21912	3.7
290.22141	0.6
315.19595	3.4
317.21338	0.9
319.22861	0.6
343.26523	8.6
344.26743	0.9
359.26031	3.7
360.26352	0.7
387.25797	1.0
403.25070	3.3
404.25293	0.5
421.26059	63.7
422.26373	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	423.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61171	0.2
59.01266	0.7
62.96299	0.2
65.39758	0.2
66.87473	0.2
71.01293	0.6
71.57767	0.3
78.95795	43.7
80.91571	2.2
84.49944	0.2
85.02854	0.3
89.02354	0.4
93.03344	0.2
96.95966	7.6
96.96864	100.0
105.36359	0.2
110.98441	4.1
149.04459	0.3
161.02441	0.3
173.04358	0.2
179.03484	0.4
191.05582	0.8
226.45663	0.2
307.92792	0.2
334.89703	0.2
423.09390	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1672
Annotation	Ixerinoside
Peak:m/z	Relative Intensity
52.54632	0.3
57.29428	0.3
59.01266	2.0
61.98681	0.8
69.95787	0.6
69.96180	1.5
71.01226	0.4
93.03345	0.5
107.04942	0.4
108.02087	0.4
121.02846	0.7
123.04379	0.6
133.02881	4.7
134.03702	2.2
135.04457	37.6
136.04735	1.4
137.02399	1.9
139.03873	0.8
145.02853	0.8
148.05209	0.8
150.03064	0.8
150.65613	0.3
158.03673	0.6
159.04410	0.5
161.01076	0.5
161.02402	10.3
162.02704	0.5
178.02640	0.8
179.03470	30.2
180.03886	1.5
191.05576	0.3
195.22505	0.3
217.53136	0.3
232.62943	0.3
235.07463	0.4
250.06189	0.3
260.10648	0.6
261.11377	100.0
262.11691	8.4
263.07275	0.4
266.06024	0.3
267.06708	0.5
281.08173	0.9
282.09109	0.9
423.16757	12.7
424.16934	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1799
Annotation	Kenusanone A
Peak:m/z	Relative Intensity
53.21591	6.5
59.01260	56.8
60.30588	6.6
69.03348	7.9
70.72115	20.0
71.01278	30.2
72.83229	6.6
72.99226	9.8
78.95804	15.9
81.43351	6.8
85.02848	14.0
87.00771	13.5
89.02351	13.7
93.03358	25.4
101.02355	10.1
109.02853	8.5
118.98023	14.9
119.04955	22.8
121.12038	6.5
135.04459	15.0
144.38237	6.3
145.02971	10.1
161.02409	22.7
163.03989	24.3
165.05479	11.7
173.04547	15.8
179.03488	16.3
191.05585	100.0
195.06512	7.3
423.17938	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	4.2
60.01603	0.5
61.98694	0.3
67.27889	0.3
71.48808	0.3
71.49149	0.5
78.95792	6.1
80.96427	0.9
99.04440	0.7
101.05987	0.5
101.91168	0.3
109.83578	0.3
110.98450	3.9
152.99539	4.9
164.24121	0.3
167.01106	1.6
169.54390	0.3
185.02168	3.7
198.47783	0.3
203.54924	0.3
207.11949	0.3
253.21761	100.0
254.22093	9.8
421.23621	8.7
421.28830	4.1
422.23975	1.2
434.83810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37426	0.3
55.01770	0.4
59.01263	0.8
60.97366	0.3
66.07348	0.3
66.89127	0.3
69.03346	3.5
70.90251	0.4
70.90588	0.5
71.01274	13.1
78.95794	5.3
80.91896	0.2
80.96413	1.0
95.04936	0.4
97.06518	0.7
109.06503	3.2
110.98444	8.2
111.04427	0.4
117.73219	0.3
119.01633	0.9
123.08059	0.6
124.05212	1.0
137.00937	0.3
152.99504	1.0
176.47275	0.3
185.02196	17.3
186.02463	0.3
253.21788	5.0
254.22067	0.6
273.22299	0.4
275.23877	1.1
301.21796	12.3
302.22122	1.9
361.23676	0.7
373.23911	100.0
374.24274	14.6
374.28064	0.3
421.23422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36808	0.2
59.01271	1.3
71.01279	0.2
71.52027	0.3
71.52361	0.2
77.07491	0.2
78.95791	5.4
88.98717	0.2
96.96896	0.2
99.04400	1.0
100.04733	0.2
110.98438	3.5
152.99539	3.2
167.01086	1.7
183.12740	0.2
185.02162	3.2
200.00935	0.2
247.00835	0.2
253.21759	100.0
254.22095	10.4
254.24857	0.2
421.17932	0.4
421.23657	8.1
421.28586	0.5
422.23935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08908	5.8
59.01270	42.2
61.98718	15.2
62.42760	6.8
69.03342	15.0
69.92757	36.5
71.01270	14.0
72.84612	6.1
73.02827	19.4
87.00764	59.3
87.04349	8.5
88.98713	19.7
89.02346	11.9
89.69915	6.0
99.04416	100.0
107.63180	7.0
109.60764	5.7
110.34176	6.1
119.03371	7.3
121.02848	18.8
122.03216	8.8
161.02333	8.1
207.09958	7.6
247.32077	6.0
268.62149	6.8
275.23965	8.9
319.22815	99.7
320.23282	13.4
321.21024	7.9
335.72733	7.5
348.23669	7.1
391.25235	30.1
392.25192	7.9
398.45850	6.5
421.26215	59.8
422.26566	10.9
442.86514	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	421.237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	11.1
59.01263	53.8
61.98710	10.2
71.04922	8.0
71.50352	7.7
71.50681	15.7
85.02847	21.4
87.00774	100.0
99.04427	28.1
100.52087	6.0
121.02887	63.6
122.03235	25.8
123.01094	6.6
154.69843	7.7
172.39354	7.2
191.05614	8.3
287.20203	15.8
319.22778	7.9
352.29739	7.3
359.22134	12.4
421.22617	46.9
421.27301	47.4
422.27835	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	421.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05065	0.3
53.78178	0.3
59.01256	1.3
62.15438	0.3
65.44531	0.3
69.62708	1.4
69.63131	1.3
78.95796	25.4
86.72626	0.3
91.71850	0.3
98.19848	0.5
101.90172	0.3
110.98444	43.8
152.99532	3.9
167.01125	1.1
172.39136	0.3
185.02180	100.0
186.02531	2.3
196.94409	0.3
253.21768	28.1
254.22112	2.8
287.51636	0.4
346.49207	0.4
421.23700	3.5
422.23917	0.6
434.80121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17560	0.2
52.91234	0.2
57.03373	0.1
59.01265	100.0
60.01596	1.2
61.98717	10.2
62.98415	0.2
63.99150	0.2
69.38400	0.5
69.38817	0.9
70.34460	0.2
71.01277	0.7
71.04916	0.4
73.02841	0.2
81.03374	0.2
83.04923	0.2
85.02863	0.6
87.00787	0.6
89.02367	0.7
93.03351	0.9
98.19799	0.2
99.04440	0.3
101.02366	0.5
109.02900	0.4
111.04456	0.3
113.02370	0.5
117.42359	0.2
123.08078	0.6
129.01936	0.2
133.02895	0.7
135.04451	2.5
137.02386	0.2
151.07635	0.5
152.07942	0.6
161.02402	2.1
171.82413	0.2
173.04524	0.4
176.03989	8.5
177.02092	0.2
179.03468	2.8
191.05580	4.1
191.07053	0.3
195.06602	1.1
196.06929	2.1
197.07115	0.2
205.08763	0.3
219.06731	0.4
220.07016	0.7
257.06656	0.8
263.88818	0.2
319.17731	0.5
323.07892	0.6
329.17667	1.7
331.19141	0.2
347.18695	1.1
353.09061	0.5
358.12329	1.5
359.12445	0.2
361.18924	0.2
421.25015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
59.01264	100.0
59.14253	0.3
60.01604	1.2
64.60856	0.2
66.65778	0.3
69.79491	1.5
71.01272	1.6
73.02857	0.6
80.65194	0.3
83.01268	0.4
85.02874	0.7
87.00786	1.5
89.02355	0.3
96.95940	0.6
98.19828	0.3
101.02351	1.2
102.06467	0.3
109.98624	0.3
113.02372	0.5
116.90195	0.3
129.18919	0.3
133.02876	0.4
135.04413	0.3
161.02365	0.3
161.04562	0.3
191.05537	0.5
204.04965	0.3
289.16681	1.5
349.20340	1.2
361.18671	0.7
421.21045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	100.0
60.01593	1.0
70.76301	3.9
71.01279	1.5
71.04913	3.5
85.02882	1.2
87.00770	4.3
96.95959	1.2
106.17741	1.0
107.04952	1.2
111.00758	1.2
123.08073	3.5
145.27481	1.2
160.39006	1.1
161.09590	1.0
189.09161	2.7
191.07121	4.0
201.12836	2.1
205.08797	2.6
245.11902	6.1
289.14536	6.7
290.14703	1.4
329.17685	17.9
330.17886	1.8
365.20224	1.2
397.09778	1.1
421.22208	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2245
Annotation	Brassicicene E
Peak:m/z	Relative Intensity
57.03329	1.9
59.01263	11.5
61.98705	1.2
71.01279	1.1
71.04916	1.1
73.02837	0.7
78.95802	0.8
83.04910	1.9
85.02839	6.3
87.00774	100.0
87.04413	0.8
88.01112	1.6
89.02347	1.0
95.04957	0.6
96.95938	1.4
97.06507	1.0
99.04437	2.5
109.06503	0.8
121.02844	0.9
121.06512	29.3
122.06842	1.6
123.08062	1.7
125.09597	0.8
135.04478	0.7
147.08073	1.4
149.09734	1.1
161.02379	1.6
161.09636	0.7
171.10271	0.9
174.06830	9.1
175.07359	0.7
179.78818	0.5
191.05484	0.6
191.07185	1.3
219.17580	0.7
231.13939	0.6
233.15408	0.9
268.79861	0.6
271.20688	3.1
273.18799	1.2
289.21829	7.6
290.22388	0.8
315.19861	1.3
317.21121	0.7
323.20050	1.2
333.20709	0.7
335.22247	0.8
341.21387	2.5
359.22467	3.0
361.20316	4.3
380.29224	0.6
403.21100	1.2
421.22012	12.4
421.26602	2.8
422.22717	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78666	0.3
52.11925	0.4
57.03322	0.5
59.01264	10.8
65.89268	0.4
66.66799	0.4
70.34785	0.7
70.35179	1.1
71.01257	0.8
73.02872	0.6
78.95794	62.8
85.02863	0.4
87.00854	0.5
93.06999	0.4
96.96864	53.1
97.06504	0.5
98.19853	0.4
101.02357	0.8
123.08165	0.4
125.09640	5.5
133.02898	0.5
187.09720	16.2
188.10132	0.8
191.05656	1.2
203.27483	0.5
218.75966	0.4
233.09496	100.0
234.09821	5.3
323.59192	0.4
326.00177	0.4
377.17944	0.5
421.16602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
59.40923	0.2
60.01600	1.3
61.98719	2.0
67.58305	0.3
69.46603	1.3
69.47028	0.7
71.01276	0.6
73.02837	0.6
78.95806	0.4
90.51144	0.2
91.08980	0.3
96.95917	0.3
96.96867	0.4
101.02342	0.4
108.92188	0.2
113.02373	0.4
133.02945	0.3
148.05243	0.3
161.02373	0.6
161.04602	0.3
162.04228	0.2
191.05635	0.6
217.08699	0.6
233.09622	0.9
235.43259	0.3
421.15369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55444	0.3
59.01263	100.0
59.62376	0.2
60.01602	1.0
61.37366	0.3
67.40646	0.3
68.72664	0.3
71.01258	0.3
71.32609	0.4
71.32946	0.4
73.63413	0.3
78.72671	0.3
106.88441	0.3
138.38779	0.3
149.13290	0.3
194.01294	0.3
264.03046	0.3
269.63678	0.3
306.48892	0.3
356.65768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99802	3.9
55.88789	4.1
57.03325	5.6
59.00960	5.3
59.01264	100.0
69.49143	9.1
69.49550	26.2
71.01278	30.3
71.04877	5.2
71.73790	4.6
71.91476	4.4
72.99203	8.1
73.02835	7.5
75.00764	4.5
85.02837	16.4
87.00770	12.1
89.02318	18.7
89.96089	4.4
93.03355	12.9
94.03665	4.8
96.95924	8.0
99.04407	11.7
101.02338	23.6
113.02374	6.3
119.03391	4.8
119.04905	4.7
121.02849	6.8
123.04440	6.9
125.02336	6.3
130.25246	5.2
133.02837	6.0
144.16814	4.9
146.08147	30.5
173.04552	10.8
175.03938	8.1
191.05566	28.0
201.01981	5.2
219.03014	9.4
277.12390	28.7
377.18216	30.2
421.16776	89.3
421.21716	7.1
422.17462	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	421.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	2.3
57.03339	34.4
59.01267	100.0
60.01616	2.0
68.99728	2.1
69.03357	3.0
69.73759	3.5
69.74168	7.8
71.01274	34.6
71.89337	1.7
72.99200	6.0
73.02831	9.2
75.00773	9.8
81.03355	8.3
83.01289	3.8
85.02848	24.2
85.06483	2.0
87.00785	10.3
87.09472	1.7
88.79443	1.6
89.02348	10.5
93.03375	14.3
95.01301	6.6
95.77666	1.6
96.95941	2.9
97.02836	2.9
99.00784	7.8
99.04425	34.0
101.02353	18.8
108.02084	13.5
109.02872	40.4
111.00819	3.7
113.02362	22.4
115.07576	4.4
117.01829	1.8
119.03417	3.0
119.04962	4.2
121.02858	4.2
125.02380	10.2
131.03455	2.5
135.04462	4.7
137.02374	15.9
137.09615	1.8
153.00642	3.6
153.01877	53.7
154.02322	2.9
157.01399	1.8
157.08672	2.1
159.02800	1.8
161.04475	4.4
163.03951	3.3
171.02937	5.7
173.04503	3.6
191.05571	11.7
193.06068	1.8
249.06161	19.2
267.07312	19.2
275.67252	1.8
277.13004	4.8
307.73965	1.8
319.14001	4.2
361.15045	3.7
371.09808	2.1
377.18436	8.8
379.16046	2.3
387.09436	11.0
421.10486	3.9
421.16415	44.8
421.20969	5.8
422.16849	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	420.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44108	0.2
57.03329	0.6
59.01256	1.2
62.59198	0.2
69.03348	2.1
70.03698	0.4
71.04910	0.4
74.75243	0.3
78.95786	4.3
79.95650	0.3
80.96409	21.7
83.04449	0.5
83.04911	4.1
84.05257	1.2
89.02354	0.4
97.06506	0.4
99.04427	3.1
100.04745	1.1
101.05983	40.9
102.06314	11.2
103.06416	0.3
110.98447	7.0
111.04364	0.3
123.08099	0.5
124.08469	0.3
148.12096	0.3
149.09671	0.5
152.99480	1.4
166.93398	0.3
185.02159	15.4
192.85036	0.3
215.56636	0.3
253.21742	5.0
273.22476	0.4
274.22659	0.7
317.21246	1.4
318.21591	6.8
319.22098	0.6
335.22437	0.5
336.22763	1.9
389.90338	0.3
420.28436	100.0
421.22775	8.0
421.28784	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	420.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40456	0.8
56.65239	0.8
59.01267	67.5
60.01601	6.1
69.03348	1.7
69.81834	2.5
69.82242	2.6
73.15458	0.8
78.95794	8.5
80.96411	61.4
83.04903	3.4
84.05260	1.3
99.04423	7.8
100.04770	2.4
101.04931	1.5
101.05988	27.2
102.06306	9.0
110.09977	0.8
110.98435	1.8
143.52081	0.8
152.99527	16.7
177.14760	0.7
185.02203	2.2
253.21744	8.4
291.23257	0.8
292.23816	3.3
337.31247	0.8
376.29382	2.9
419.28391	1.0
420.28415	100.0
421.22885	23.4
421.28796	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	420.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
59.01250	1.1
64.80553	0.2
69.03343	2.2
70.03689	0.5
71.04900	0.5
72.85424	0.2
74.44872	0.2
74.49056	0.2
78.95796	2.8
80.96418	0.6
83.04915	3.4
84.05269	0.8
99.04416	3.3
99.08084	0.5
100.04749	1.2
101.05988	45.5
102.06319	12.3
103.06401	0.6
110.98441	4.6
113.27558	0.3
118.91609	0.2
120.78968	0.3
123.08053	0.7
147.11749	0.3
148.12038	0.3
149.09618	0.5
150.13547	0.4
152.99525	1.2
167.14325	0.3
173.76593	0.3
179.86391	0.2
185.02173	9.2
223.11371	0.3
253.21779	2.8
258.19598	0.3
273.22372	0.5
274.22641	1.0
291.23141	0.3
317.21280	1.2
318.21625	7.3
319.22131	0.8
327.70544	0.3
335.22369	0.6
336.22665	2.3
402.27512	0.4
420.28461	100.0
421.23792	0.4
421.28757	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	420.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40153	0.2
52.96162	0.1
57.03340	0.2
59.01266	2.9
61.98719	100.0
62.98410	0.2
64.19096	0.1
68.60020	0.2
71.01279	0.7
72.99213	0.2
73.02848	0.2
73.30613	0.2
73.33245	0.2
75.00756	0.2
78.95797	0.2
81.03355	0.9
85.02860	0.5
87.00774	0.2
89.02338	0.2
93.03374	0.6
109.06516	0.4
109.26980	0.2
111.04438	0.9
113.02352	0.3
118.57883	0.2
119.04961	0.5
120.98261	0.2
122.03687	0.3
123.04411	0.2
125.02391	1.3
135.04459	0.2
137.02408	0.2
139.04012	0.2
145.02881	0.3
149.02435	0.3
151.00313	0.3
151.07596	8.7
152.07912	0.5
155.50287	0.2
161.02315	0.3
163.04025	0.4
165.05516	0.4
173.04543	0.5
175.00215	0.2
177.01901	0.4
177.05530	0.2
179.03407	0.2
179.07170	0.3
182.76636	0.2
191.05586	1.2
191.07147	0.3
195.06619	30.8
196.06972	1.9
201.05269	0.2
209.08244	0.8
219.06644	9.6
220.06927	0.9
236.70518	0.2
237.07721	3.0
238.08026	0.2
249.07874	0.9
268.38052	0.2
272.19086	0.2
297.09824	0.3
299.91458	0.1
319.08203	0.2
357.12006	18.9
358.12283	2.2
420.11621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07594	0.2
57.03338	0.8
59.01252	0.7
69.03345	3.1
70.96774	0.7
71.04919	0.7
82.86560	0.3
83.04919	4.3
85.80321	0.2
97.06509	0.3
99.04419	6.0
99.05074	0.3
99.08055	0.4
100.04749	1.7
101.05985	58.2
102.06316	1.3
123.08076	0.9
125.09622	0.4
147.11711	0.5
149.09633	0.8
149.13315	0.4
163.11249	0.3
165.12726	0.4
167.10657	0.3
167.14383	0.5
232.32817	0.3
257.19083	0.3
273.22336	1.3
291.23557	0.3
299.20062	0.4
317.21271	8.4
317.24936	0.5
318.21613	0.9
319.22025	0.5
335.22314	2.4
336.22571	0.4
389.04947	0.3
419.28107	100.0
420.28464	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	419.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00947	0.4
58.82902	0.5
59.01266	93.9
60.01593	1.7
70.12450	2.4
81.84215	0.5
87.39199	0.5
99.04417	9.4
100.04773	1.5
101.05984	1.4
112.65662	0.5
113.70752	0.6
317.21582	0.6
319.22684	2.2
356.32364	0.6
419.28027	100.0
420.28433	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	419.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.8
57.69194	0.5
59.01257	2.6
69.03339	3.3
70.95049	1.1
70.95377	0.6
71.04910	0.5
78.95797	0.6
81.03320	0.6
83.04917	17.9
85.02856	1.9
85.06480	1.1
87.00788	0.7
87.04412	28.1
93.29912	0.7
97.06514	0.6
99.04418	5.1
99.08066	1.7
101.05988	83.1
102.06326	1.9
107.04955	1.2
109.06496	3.6
111.08032	0.9
121.06509	26.6
122.06853	1.6
123.08080	3.1
125.09653	2.1
145.27350	0.5
147.08076	1.3
151.11259	0.6
157.98138	0.5
159.01393	0.6
163.11281	0.7
165.12846	1.6
203.14468	0.6
219.17630	0.8
257.19238	1.1
271.20731	3.5
273.22369	1.7
287.20166	0.7
289.21811	40.8
290.22174	4.7
291.23376	2.7
305.21271	8.4
306.21820	1.0
317.21176	3.8
318.21643	0.7
319.23022	1.8
335.22156	4.1
358.86679	0.6
373.27478	4.1
375.25293	0.6
375.29276	2.7
419.28351	100.0
420.28754	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	419.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25690	0.5
59.01265	92.5
60.01596	0.6
60.99171	0.6
69.79195	2.7
71.04879	0.5
81.03360	0.9
81.19244	0.5
85.02863	0.4
99.04415	26.2
100.04768	1.1
101.05984	16.3
101.06654	0.8
105.20672	0.5
115.03944	0.8
122.98487	0.5
127.07557	1.4
146.84175	0.4
157.36182	0.5
184.55034	0.5
260.37201	0.6
317.21027	0.6
319.22882	9.6
320.23273	0.6
337.23950	1.2
419.28064	100.0
420.28378	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	419.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98838	0.6
57.03334	1.0
59.01268	23.2
69.03336	1.3
69.72977	0.5
83.04920	29.8
84.05256	1.0
87.45213	0.7
99.04426	28.1
100.04784	1.0
101.05994	12.1
110.70188	0.5
123.08099	0.9
132.94678	0.5
165.12813	0.6
169.56746	0.5
169.67851	0.5
193.15779	0.5
205.16037	1.0
213.29831	0.5
223.16922	0.9
273.22137	0.7
275.23947	1.2
293.24918	1.9
317.21170	4.4
319.22824	5.2
335.22281	5.0
337.23892	19.0
338.24295	1.6
419.28116	100.0
420.28400	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	419.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60949	0.4
57.03339	0.5
59.01250	1.8
69.03338	3.4
71.57896	0.6
75.68635	0.4
78.95795	3.6
81.03351	1.2
83.04914	1.3
85.02853	2.3
96.96852	1.0
99.04420	20.2
100.04764	2.3
101.05987	74.5
102.06319	2.0
123.08076	1.0
125.09676	1.1
152.99550	4.9
153.43755	0.5
165.12791	0.6
261.22290	1.3
273.22308	1.7
277.18192	1.7
277.21820	1.1
277.25348	2.0
279.19733	0.7
291.23209	0.8
295.19196	3.7
296.19574	0.8
297.19809	0.6
299.20242	2.1
302.45209	0.5
305.21356	1.1
317.21277	21.2
318.21530	2.6
319.22812	3.8
320.23315	0.9
321.23730	1.4
335.22363	32.2
336.22833	4.1
337.23819	3.0
363.25504	0.6
381.26825	1.0
401.27084	1.6
419.28107	100.0
420.28476	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	419.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	92.7
60.01603	0.9
61.33394	0.4
68.34953	0.5
71.38611	0.9
81.03358	1.4
83.04934	0.6
86.79313	0.4
99.04427	14.7
100.04783	1.1
101.05994	27.5
102.06319	1.0
114.70721	0.4
159.51140	0.4
205.13748	0.5
317.21271	3.6
319.22937	1.1
419.28119	100.0
420.28442	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	419.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05748	0.2
54.90393	0.2
55.01775	1.6
57.03339	1.2
58.00476	0.5
59.01267	78.8
60.01599	0.8
61.98708	0.2
69.03357	0.3
69.48140	1.4
71.01271	15.3
71.04888	0.3
72.01620	0.3
72.99199	1.0
73.02837	6.4
75.00776	1.3
83.01278	3.9
85.02844	9.4
85.99995	0.7
86.03211	0.2
87.00787	1.1
89.02341	2.7
89.02873	0.3
93.03362	1.1
95.01279	1.3
97.02875	0.5
98.19962	0.7
98.20551	0.3
99.00784	2.5
101.02350	15.3
101.05963	0.2
102.02679	0.4
111.00800	1.0
111.04453	0.2
113.02359	6.6
114.02699	0.3
119.03405	0.8
119.04960	0.6
123.08109	0.5
125.02387	0.3
129.01859	0.6
131.03465	0.3
137.02402	0.4
138.02721	0.2
143.03427	0.5
145.02895	0.9
147.04465	0.2
150.41357	0.2
159.02995	1.0
161.04497	2.0
163.03911	0.7
168.11238	0.3
173.04509	1.3
186.12502	0.4
191.05594	4.6
191.07095	0.3
209.79070	0.2
210.12392	0.4
257.17734	0.2
257.34448	0.2
264.32529	0.2
329.17615	0.6
359.20831	4.8
360.21246	0.6
376.18756	0.9
401.21924	5.0
402.22275	0.5
418.28186	0.2
419.22961	100.0
420.23315	12.1
420.29047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2814
Annotation	18-Isovaleryloxygrindelic acid
Peak:m/z	Relative Intensity
50.41610	0.2
57.03341	1.8
59.01269	1.3
60.81919	0.2
60.99188	0.2
69.03342	1.5
69.47170	1.9
69.51488	0.3
71.04920	0.2
83.04926	1.7
85.02847	5.9
87.04418	0.8
97.06486	0.6
99.04406	1.2
100.03343	0.2
101.05988	50.4
102.06303	1.6
107.08540	0.3
111.04422	0.5
111.08076	0.6
116.92773	0.4
118.99981	0.2
121.02827	0.3
121.06527	1.1
123.08083	0.8
125.09653	4.6
126.09949	0.2
128.68135	0.2
149.13298	0.9
151.11238	0.6
165.12717	0.2
167.14386	1.4
191.05603	0.3
201.12791	0.4
203.14433	1.9
211.13474	0.2
221.15448	0.5
236.28267	0.3
239.17958	0.3
271.20728	0.6
273.22314	2.3
274.22598	0.4
289.21844	0.6
291.23376	2.8
317.21292	4.4
318.21506	0.3
333.20700	0.6
335.22333	2.2
336.22620	0.3
401.23355	0.3
419.28140	100.0
420.28479	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	419.2299
Annotation	Staphylionoside I
Peak:m/z	Relative Intensity
57.03323	2.4
57.90200	0.7
58.00470	3.4
58.21672	0.7
58.73072	0.8
59.01266	100.0
60.01604	2.2
61.98697	1.6
69.03326	1.3
71.01269	43.1
71.59443	1.3
72.01601	1.5
72.99186	3.5
73.02848	4.7
75.00753	3.3
78.95797	1.0
80.52058	0.8
83.01281	2.4
84.10670	0.8
85.02844	12.2
85.06485	0.8
87.00775	4.3
89.02336	40.1
93.03347	3.1
95.01277	2.8
99.00741	2.6
99.04392	1.2
101.01701	1.6
101.02348	24.9
111.04443	0.9
113.01612	1.3
113.02365	14.8
119.03416	17.4
119.04891	1.1
123.04453	1.1
123.08064	2.3
125.02350	1.6
131.03435	1.7
135.04401	2.6
143.03416	3.2
145.02861	2.5
149.04529	1.6
161.02415	1.8
161.04544	4.5
162.04822	1.2
163.03900	3.0
173.04494	3.6
179.05563	7.2
189.09203	1.0
191.05609	12.8
215.12851	1.0
237.07671	0.9
239.16553	66.1
240.16899	4.5
240.19052	0.7
256.04822	1.6
257.17508	1.1
261.84430	0.8
271.97739	0.8
287.29446	0.9
329.17581	3.5
346.09882	1.2
347.18719	1.1
389.19699	1.8
401.21881	1.6
419.22839	47.7
420.23410	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	419.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.4
57.03356	0.7
58.00478	1.5
59.01266	100.0
60.01610	1.7
66.10932	0.6
67.89807	0.6
69.03346	2.4
71.01271	52.3
71.57943	0.8
71.58327	0.8
72.01630	0.9
72.99201	1.3
73.02839	70.9
74.03167	1.3
75.00770	0.9
81.03369	0.8
83.01282	22.0
85.02851	3.7
85.28482	0.6
87.00795	1.4
89.02341	7.9
95.01301	1.2
96.95930	1.3
97.02856	1.3
97.96368	0.6
99.00785	1.6
99.04427	0.7
101.02351	58.7
102.02740	2.1
113.02353	12.5
117.01874	0.7
119.03425	3.6
120.09319	0.6
125.02357	3.5
130.08661	0.6
131.03409	3.8
143.03433	4.3
149.04488	6.2
155.03470	2.7
161.04512	13.3
171.44374	0.6
191.05528	0.9
197.15460	73.0
198.15790	5.5
203.05739	1.1
221.06757	1.2
379.76657	0.6
419.22906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27214	0.2
58.57217	0.2
59.01268	100.0
60.01606	1.4
61.01696	0.2
71.01272	0.9
85.02838	0.5
87.00777	0.2
88.02689	0.2
89.02359	0.5
98.19769	0.7
101.02376	0.4
103.35086	0.2
113.02354	0.5
119.03447	0.3
159.04482	0.3
161.04639	0.3
169.12366	0.3
175.04144	0.3
179.05611	0.2
191.05650	0.4
239.16599	0.3
264.53616	0.2
273.11124	0.2
290.14313	0.2
354.28961	0.2
419.10287	0.3
419.23254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2086
Annotation	Enanderinanin H
Peak:m/z	Relative Intensity
57.03346	12.3
59.01258	5.2
63.45417	1.2
69.03343	3.6
70.95781	3.6
71.04918	1.9
83.04902	10.9
85.02854	3.4
87.00768	19.4
87.29198	1.6
97.02848	4.0
99.04420	4.4
109.06503	34.7
110.06847	2.1
121.06526	8.6
123.08058	3.1
135.08051	2.2
161.09662	3.7
163.11237	4.5
179.10770	9.4
191.39240	1.2
200.64478	1.3
220.40839	1.5
235.17090	1.7
266.91843	1.4
287.20215	3.9
305.21280	40.4
306.21658	3.7
329.21341	2.6
331.19064	1.6
331.22824	2.3
347.22305	5.8
375.21835	25.4
376.22012	4.1
419.20801	100.0
420.21320	16.5
443.64462	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	419.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88437	0.3
54.35478	0.2
59.01267	100.0
60.01604	14.0
61.01693	13.6
70.55383	1.0
71.01292	0.6
73.02854	0.3
75.49931	0.3
78.16257	0.3
85.02863	0.7
86.19590	0.3
87.00772	0.6
89.02318	0.4
96.35880	0.3
113.02408	0.4
215.16490	0.3
359.20490	0.4
377.22192	0.4
384.31967	0.3
419.22610	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2299
Annotation	Euodionoside E
Peak:m/z	Relative Intensity
55.01781	1.8
57.03329	1.3
58.00466	0.9
59.01267	68.3
59.66435	0.3
60.01612	0.9
60.37240	0.3
65.42889	0.4
66.17605	0.3
66.40776	0.3
69.69799	2.5
71.01270	14.2
71.04913	0.6
72.99199	0.9
73.02832	5.4
75.00771	4.1
83.01275	2.8
85.02844	8.6
85.99976	0.9
87.00771	1.8
89.02322	2.4
93.03359	1.5
95.01310	1.2
97.02843	0.7
97.10297	0.4
98.20528	0.7
99.00764	2.2
101.02348	14.1
111.00800	0.9
113.02366	5.5
119.03429	0.7
119.04960	0.7
123.08108	1.9
127.03902	0.5
134.88716	0.4
137.02383	0.8
145.02907	1.3
159.02881	0.6
161.04517	1.6
161.49205	0.4
163.03978	1.8
173.04495	2.2
179.03421	0.4
191.05577	7.4
191.07086	0.7
204.28265	0.4
205.08621	0.7
254.67050	0.4
329.17737	3.3
347.18625	1.4
359.20856	3.6
360.21237	0.4
361.20508	0.4
367.62805	0.4
376.18958	1.0
389.19730	1.2
401.21964	5.2
402.22183	0.5
419.22955	100.0
420.23306	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	419.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42889	0.5
55.01765	1.1
57.03339	0.5
58.00475	1.4
59.01266	100.0
60.01602	1.3
60.28803	0.4
60.29109	0.4
69.03332	1.6
71.01271	53.2
72.01603	1.0
72.02059	0.7
72.99207	2.8
73.02837	67.1
74.03163	1.3
81.03369	0.8
83.01278	22.0
83.04832	0.5
85.02841	5.3
87.00758	1.1
87.04453	0.7
89.02341	10.2
95.01300	1.1
97.02846	0.8
98.20525	0.9
99.00787	2.1
99.04429	0.6
101.02348	56.5
102.02680	1.5
102.26163	0.5
103.41732	0.6
111.00751	0.5
113.02358	10.1
119.03436	3.0
125.02384	2.0
131.03416	3.9
143.03435	4.1
149.04463	2.5
155.03473	1.6
161.04507	8.9
169.15842	0.5
191.05641	1.1
197.15456	4.9
201.59622	0.5
203.05548	0.8
215.16527	2.6
303.00421	0.6
359.20840	2.2
377.21893	7.6
419.22946	50.9
420.23285	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	419.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.8
55.02522	0.8
57.03337	1.8
59.01263	25.6
61.98695	1.5
63.54055	0.7
64.78925	0.7
67.01782	1.0
68.99695	1.6
69.03355	0.8
70.79427	0.7
71.01273	18.8
71.57503	0.9
71.73556	0.7
72.01676	0.7
72.99194	6.3
73.02843	2.3
73.42245	0.7
75.00766	21.2
81.03354	0.9
83.01254	0.7
83.04804	0.6
85.02841	21.2
87.00767	11.5
89.02342	4.6
89.13123	0.8
93.03387	0.9
95.01264	5.2
99.00799	10.6
101.02383	1.5
103.00235	1.6
110.41248	0.9
113.02357	26.4
115.00317	2.0
117.01848	3.2
124.01704	0.7
129.01892	1.6
139.00298	0.9
169.12300	67.1
170.12672	3.8
175.02434	4.0
175.03790	0.7
205.07138	0.8
222.27921	0.9
231.05106	3.5
244.90813	0.9
249.06186	26.6
250.06561	1.4
267.07166	3.0
348.70154	0.9
401.18262	2.9
419.19308	100.0
420.19675	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	419.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01595	1.2
61.98720	0.8
69.62798	2.0
71.01264	1.3
73.02839	1.2
78.95782	2.8
79.49586	0.2
85.02864	0.3
86.07214	0.3
87.26274	0.2
93.03374	0.3
96.96862	2.2
101.02338	1.2
110.87207	0.2
113.02354	0.5
125.33143	0.2
149.04460	0.4
159.54195	0.3
161.04465	0.6
173.04549	0.2
179.37563	0.3
191.05717	0.7
204.73582	0.3
207.04279	0.3
233.09566	0.8
235.75496	0.3
249.09152	0.5
257.03687	0.4
265.08615	0.5
308.89459	0.3
404.22995	0.3
419.09225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49687	2.1
57.03349	4.0
59.01268	100.0
67.01735	3.0
69.03350	4.9
71.01267	35.9
71.57133	3.5
72.99191	5.7
73.02836	6.9
75.00770	8.0
77.42341	2.1
79.44096	2.3
81.03357	4.5
81.52233	2.2
83.01281	2.6
83.04918	7.3
85.02856	12.2
87.00764	8.3
89.02346	34.5
93.03360	8.0
95.01296	2.4
95.04928	29.4
97.06475	2.7
99.00789	5.7
99.04439	11.4
99.29823	2.1
99.99801	2.6
100.06380	2.2
101.02339	23.3
109.02862	2.7
109.06497	8.3
113.02340	12.8
119.03429	14.2
119.04912	3.6
121.02962	2.7
121.06511	11.1
123.04424	14.6
123.08057	4.0
133.02898	3.2
135.04408	4.3
135.08092	6.4
137.05994	2.9
145.02863	2.7
147.04478	7.8
159.08002	5.3
161.02374	7.3
161.04643	2.7
161.06036	7.6
173.04509	3.8
177.09167	46.9
179.03462	3.9
179.05617	4.0
179.07063	28.9
180.07359	2.6
183.06572	7.9
189.09161	8.2
191.05600	26.1
191.55594	2.8
192.05931	3.5
195.10199	8.0
208.01837	2.5
213.11293	2.8
219.10258	16.2
221.08292	4.8
225.11385	8.9
239.09264	60.3
240.09608	3.7
259.11813	4.5
306.45682	2.3
320.60379	2.5
359.16916	5.8
376.50937	2.4
385.15317	3.3
401.14569	7.1
407.15506	2.6
419.11090	2.7
419.15704	29.3
420.15485	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	418.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	40.6
60.01591	0.8
61.98714	100.0
70.91603	2.3
71.01261	5.0
72.99187	0.9
73.02827	1.3
80.98807	0.8
85.02836	3.5
87.00753	1.0
89.02341	1.6
93.03355	3.9
99.00797	1.0
99.04391	1.5
101.02348	5.0
111.04407	1.4
113.02341	2.8
114.11565	0.8
119.04926	1.5
122.11903	0.8
122.20547	1.0
123.62998	0.7
133.02881	1.2
135.04446	2.0
145.02867	1.8
161.02469	3.7
161.04514	2.8
162.04765	1.0
163.03958	1.6
163.14598	0.8
173.04532	3.6
179.03456	2.2
183.01245	0.9
191.05591	10.4
269.10358	2.9
311.11493	1.5
345.08887	1.0
358.15573	1.3
367.79108	0.8
417.26489	1.1
418.16385	1.3
418.27008	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01602	11.4
61.01683	2.1
71.01301	0.4
85.02914	0.3
87.00796	0.8
101.02381	0.4
150.03131	0.3
179.03429	0.3
377.21991	0.3
418.27560	0.3
419.23444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1206
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01771	9.1
57.03336	4.1
59.01265	20.9
69.03355	10.8
70.96130	4.1
71.01270	58.9
72.99200	2.2
73.02840	32.0
81.03348	1.9
83.01280	19.8
85.02850	24.0
87.00784	3.9
89.02335	13.9
95.01270	4.7
97.02857	33.2
99.00782	68.0
100.01118	2.3
101.02351	59.5
111.00766	2.0
113.02367	22.1
124.01593	4.0
125.02370	84.5
126.02742	2.5
131.03448	4.3
143.03403	6.6
159.02959	4.6
161.04512	49.1
179.03534	2.0
189.96500	1.5
191.05566	10.4
192.05766	1.8
201.31158	1.6
203.05637	8.9
205.03484	1.6
222.19159	1.7
277.25171	1.8
287.07788	4.3
293.08881	7.4
419.12054	100.0
420.12576	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	417.2656
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
59.01264	9.9
61.98716	0.4
67.01780	1.8
69.03342	51.8
69.25723	3.0
70.03682	0.8
71.01270	1.0
71.04901	2.0
73.17847	0.2
83.04900	0.3
85.02843	3.4
85.06482	6.9
87.00739	0.6
95.04960	0.3
97.02852	100.0
98.03181	3.0
99.04412	1.9
102.48370	0.3
113.02335	0.8
115.03926	18.2
116.04272	0.5
148.42557	0.3
161.02328	0.4
165.12790	0.5
173.04526	0.3
180.86275	0.2
187.80820	0.2
259.20883	0.3
275.23837	3.4
276.24115	0.4
301.18536	0.5
301.21805	5.5
302.22189	0.6
319.22842	38.4
320.23227	4.6
329.28583	3.9
330.28778	0.6
335.22458	0.3
343.25055	0.4
355.26663	0.3
373.27536	5.2
374.27869	0.7
417.26559	45.8
418.26935	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	417.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83720	0.5
57.03355	0.6
58.91619	0.5
59.01260	1.9
60.41193	0.6
65.98946	0.5
69.03343	11.3
71.04912	6.2
71.06779	1.3
81.03346	3.4
83.04912	5.4
89.51652	0.5
95.04942	0.5
97.06503	2.5
99.03806	1.1
99.04422	14.5
99.08101	0.6
101.05985	6.4
109.06490	2.4
121.06516	6.7
121.07346	0.9
123.08083	8.7
125.09626	2.2
135.08112	1.2
149.09604	0.5
149.13303	1.0
153.12741	1.0
158.22253	0.5
163.11240	3.6
165.12845	0.9
167.14369	0.6
175.11201	1.0
181.54965	0.5
187.11249	1.7
189.12747	1.0
191.14320	0.8
193.15909	1.0
203.14391	1.5
205.12352	1.6
205.16086	2.8
214.91632	0.6
215.14362	0.6
217.16020	1.0
219.17599	1.6
221.19177	5.3
245.19189	1.3
257.19104	2.5
260.17813	0.8
271.20737	2.2
273.22324	4.0
275.20142	5.5
289.18951	0.4
289.21814	11.9
290.22168	1.7
291.23386	34.2
292.23715	3.7
315.19815	0.7
317.21295	4.0
335.22327	4.2
367.82977	0.5
373.27551	13.1
374.27872	2.3
417.26547	100.0
418.26913	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	417.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03091	0.3
57.03341	2.1
59.01274	1.3
60.70966	0.3
60.99177	0.3
67.01752	0.3
70.56010	0.3
71.10175	0.6
71.10500	0.3
74.11215	0.3
83.04922	11.1
84.92702	0.3
85.02872	0.4
96.07687	0.3
99.04427	100.0
100.04768	3.0
111.04420	0.9
114.10358	0.3
119.06223	0.3
121.06523	0.6
123.08024	0.3
125.09637	0.5
133.06532	0.7
147.08044	0.6
149.09654	3.2
152.49634	0.3
155.08649	0.3
167.10733	0.5
189.12744	0.4
203.14474	0.3
205.16011	0.7
210.22092	0.3
233.15520	0.8
239.18158	0.5
251.16493	0.3
257.19122	1.2
273.22339	1.6
274.22821	0.5
285.19180	0.3
291.23599	0.3
299.20007	0.4
301.18155	1.0
317.21259	6.3
318.21738	0.6
335.22391	3.2
336.22818	0.4
355.26575	0.7
373.23682	0.4
399.25357	1.0
400.26157	0.3
417.26593	55.8
418.26947	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	417.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44015	0.2
57.03334	1.4
59.01263	5.9
59.98390	0.2
69.03337	2.5
69.44521	0.3
69.44920	1.5
71.04903	0.3
83.04910	1.4
87.00769	1.0
95.04948	0.3
97.06485	0.9
98.19855	0.4
99.04417	40.5
100.04752	1.2
101.02341	0.2
105.07004	0.4
107.08536	0.3
109.06485	0.4
111.04427	0.9
111.08064	0.5
121.06500	1.4
123.08076	0.9
125.09634	4.7
133.06519	0.3
147.11696	0.5
149.09625	0.3
149.13297	0.8
151.11188	0.7
159.46518	0.2
165.12822	0.5
167.10689	0.4
167.14362	1.4
201.12819	0.4
203.14409	2.0
205.15959	0.6
221.15457	0.6
239.35295	0.2
249.14999	0.3
257.19244	0.3
273.22232	2.4
291.23376	2.7
299.20432	0.3
317.21265	5.3
318.21576	0.4
319.22830	0.5
335.22342	7.2
336.22668	0.7
373.27655	1.4
374.28125	0.3
382.63855	0.2
417.26550	100.0
418.26904	16.7
418.32898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.9
59.01273	0.7
69.03348	5.7
69.60163	0.5
69.60580	1.3
71.04922	0.8
78.19551	0.3
78.24551	0.3
79.09757	0.3
81.03348	4.1
81.38221	0.3
83.04922	1.1
84.52292	0.3
99.04424	100.0
100.04750	3.3
104.92368	0.3
111.08080	0.6
120.20047	0.3
125.09678	0.4
153.12799	0.3
181.12303	0.5
219.17609	0.4
221.19086	3.0
222.19672	0.3
233.19109	0.3
261.22308	0.8
273.22327	3.7
274.22766	0.5
289.21722	0.3
291.23373	12.9
292.23718	1.9
314.47198	0.3
317.21277	3.7
318.21756	0.4
335.22290	1.7
373.27603	6.0
374.27985	0.9
387.68619	0.3
417.26572	65.7
418.26898	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	417.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.2
58.00460	0.2
59.01267	2.4
69.03342	0.7
69.32738	1.4
70.08779	0.1
71.04915	0.3
77.46033	0.2
81.03366	0.7
83.04925	0.8
85.06374	0.1
87.04412	0.3
97.06535	0.3
98.20522	0.2
98.33582	0.1
99.04420	100.0
100.04750	3.0
109.06497	0.2
123.08076	0.2
151.11182	0.3
165.12743	0.2
169.15953	0.2
188.28549	0.2
189.12793	0.5
201.12779	0.2
203.14272	0.2
219.13905	1.8
257.19186	0.2
273.22147	0.9
289.21777	0.6
291.23337	0.8
317.21295	7.8
318.21716	0.8
318.24985	0.1
335.22272	0.9
341.11996	0.2
373.27576	0.5
417.26547	24.3
418.26923	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	417.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.7
59.01268	10.1
61.83213	0.3
61.98711	1.4
69.03356	2.2
71.13535	0.4
71.28423	0.8
71.28786	0.7
75.00761	0.4
76.29133	0.3
77.86067	0.4
83.04931	1.5
85.02853	3.8
87.00780	0.4
97.06468	0.8
99.04427	45.2
100.04770	1.4
105.07008	0.6
111.08069	0.5
121.06503	2.1
123.08038	0.8
125.09653	3.9
149.13312	0.9
165.12773	0.5
167.10693	0.7
167.14349	1.0
201.12912	0.5
203.14389	1.4
211.13562	0.6
273.22311	1.6
291.23331	2.8
299.20193	0.6
317.21313	6.6
318.21671	0.9
319.22849	0.6
335.22318	5.4
336.22815	0.9
373.27612	1.4
388.53314	0.4
417.26593	100.0
418.26947	18.3
428.37354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55610	0.4
69.03352	4.8
69.21639	0.4
71.04913	0.5
71.19118	0.9
99.04424	57.9
100.04762	1.8
105.07060	0.7
106.04269	0.4
111.04398	0.6
121.06567	0.4
123.66612	0.5
125.09610	1.3
140.19650	0.4
144.67075	0.4
149.13321	0.6
165.12711	0.4
167.10722	0.7
167.14328	0.5
261.22342	1.0
271.20728	0.6
273.22418	1.7
291.23386	0.7
299.20258	1.8
305.21368	1.9
314.30450	0.5
317.21301	17.4
318.21576	2.5
335.22385	57.8
336.22723	8.9
388.83676	0.5
399.25491	1.0
417.26587	100.0
418.26938	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	417.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.6
57.03315	0.7
64.97305	0.2
69.03345	3.4
69.94696	0.7
69.95094	0.6
71.04905	0.4
73.61925	0.2
81.75582	0.2
83.04916	3.5
97.06496	1.3
99.04417	23.2
100.04745	0.7
101.44777	0.2
107.67852	0.3
111.04425	0.4
123.08073	1.2
125.09619	0.5
130.43869	0.2
135.55899	0.3
147.11668	0.5
149.09631	0.4
149.13280	0.7
163.11310	0.3
165.12769	0.5
167.10733	0.6
167.14346	0.9
175.53088	0.2
182.32716	0.2
193.12209	0.3
205.15916	0.3
217.86325	0.2
219.17557	0.5
221.19104	0.3
251.16411	0.5
257.19254	0.5
273.22275	1.2
291.23193	0.4
297.97311	0.2
317.21292	9.7
318.21536	1.3
335.22342	2.7
336.22708	0.3
373.27545	0.4
375.05212	0.2
417.26547	100.0
418.26889	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	417.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37373	0.7
55.49616	0.6
57.03322	0.7
66.68159	0.7
69.03350	5.9
70.05992	3.5
86.02087	0.6
86.38331	0.7
93.80128	0.8
99.04420	60.0
100.04760	1.8
123.08035	0.8
125.09650	2.3
139.30894	0.8
162.66792	0.6
167.10796	0.9
261.22302	2.6
273.22540	1.0
291.23279	0.9
299.20245	1.1
305.21286	1.9
306.65662	0.8
317.21292	16.9
318.21539	2.4
335.22348	64.4
336.22644	9.5
399.25372	1.4
417.26559	100.0
418.26929	17.7
421.17575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21150	0.5
57.03326	0.7
59.01251	1.5
66.01602	0.4
69.03345	14.7
70.09633	1.4
71.01281	2.5
71.04911	6.7
71.41302	0.5
81.03336	1.1
83.04914	4.6
85.02840	1.3
88.71663	0.5
95.04951	0.6
96.71492	0.5
97.02835	1.0
97.06474	2.8
98.20777	0.5
99.04420	18.8
109.06501	2.9
115.03915	3.2
121.06504	1.7
123.08088	9.3
124.05177	1.1
125.09633	1.9
135.08081	1.1
149.13290	1.3
153.12892	1.0
163.11188	1.6
163.71606	0.5
167.14427	1.0
175.11235	0.8
185.66327	0.5
187.11209	1.2
189.12852	1.1
191.14398	0.9
193.15990	1.0
205.12344	1.6
205.16008	2.7
210.75026	0.6
217.15971	0.8
219.17632	1.3
219.44525	0.7
221.19116	4.6
245.19186	1.1
257.19135	2.8
260.17917	0.7
261.22028	0.6
271.20731	1.1
273.22345	5.2
275.20230	4.6
275.23721	1.4
289.21814	9.1
290.22141	1.0
291.23370	33.7
292.23682	3.7
301.21872	1.8
317.21323	5.1
318.21722	0.7
329.24951	5.5
335.22263	2.0
373.24280	0.9
373.27670	12.9
374.28214	1.2
417.26569	100.0
418.26923	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	417.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
57.03341	0.8
59.01251	0.3
59.98389	0.3
69.03342	4.0
70.63739	0.8
71.04919	0.4
83.04922	3.9
97.06506	1.1
99.04426	22.1
100.04775	0.6
111.04439	0.3
123.08091	1.3
125.09608	0.3
137.09709	0.2
147.11781	0.4
149.09673	0.7
149.13237	0.6
153.74884	0.2
163.11252	0.4
165.12834	0.5
167.10732	0.8
167.14357	0.6
187.48524	0.2
189.12827	0.2
191.14410	0.2
193.12318	0.4
203.14407	0.2
219.17630	0.5
248.29590	0.3
251.16557	0.6
257.19031	0.4
273.22238	1.4
299.20331	0.4
317.21268	8.0
318.21585	1.1
335.22369	3.1
336.22684	0.5
366.56357	0.3
373.27618	0.3
417.26584	100.0
418.26917	16.2
432.61725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.9
59.01270	3.1
69.03351	2.0
69.35898	0.3
70.91946	0.6
77.99191	0.3
82.19905	0.3
83.04922	7.6
97.06503	1.1
99.04424	24.5
100.04733	0.8
101.06007	0.7
105.07009	0.4
109.06494	0.7
111.04468	0.4
111.08064	0.8
119.04941	0.6
121.06516	51.1
122.06857	1.9
123.08091	2.2
125.09653	4.1
147.08080	1.7
149.09625	0.6
151.11218	0.6
163.11267	0.6
165.12836	1.2
167.10754	0.5
167.14368	1.2
187.11267	0.7
189.12894	0.3
201.12825	0.4
203.14365	0.3
219.17564	1.6
221.15372	0.3
257.19202	0.4
261.22305	0.6
271.20718	5.1
272.21118	0.4
273.22403	1.9
289.21814	45.2
290.22165	5.7
291.23398	2.9
292.23804	0.4
299.20020	0.3
317.21304	4.9
318.21664	0.5
335.22458	1.6
335.67188	0.3
371.25937	0.7
373.27579	10.5
374.27914	1.6
417.26581	100.0
418.26923	16.0
426.14969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.6
58.60535	0.4
59.01256	1.6
69.03339	4.0
69.30785	4.5
71.04914	0.4
83.04914	5.3
97.02859	0.4
97.06485	1.4
99.04420	38.8
100.04762	1.6
101.05972	0.8
107.04926	0.5
111.08132	0.5
119.04945	0.5
121.06516	35.7
122.06885	1.6
123.08072	2.8
125.09647	5.9
126.09984	0.4
130.44290	0.4
134.87822	0.3
147.08096	0.9
149.09607	0.6
151.11299	0.9
160.10777	0.4
163.11182	0.6
165.12790	1.2
167.14349	1.6
211.13373	0.6
219.17570	1.0
227.73477	0.4
268.78156	0.4
271.20746	4.0
272.20932	0.6
273.22437	2.1
289.21814	28.1
290.22177	3.5
291.23352	6.1
292.23746	0.9
292.46771	0.4
317.21317	4.7
318.21545	0.7
323.37729	0.4
335.22327	2.3
336.22647	0.5
371.26050	0.8
373.27585	16.8
374.27777	2.1
417.26566	100.0
418.26907	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	417.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09352	0.9
57.03314	1.0
59.01265	5.4
67.01777	1.7
69.03345	48.8
70.03696	1.4
71.01272	1.4
71.04900	2.3
71.12222	2.1
85.02846	4.7
85.06464	6.6
97.02852	100.0
98.03198	2.6
99.04420	5.5
99.08040	1.3
100.04739	1.7
101.05983	40.0
105.11664	0.9
115.03921	21.1
121.06510	14.1
122.06842	1.4
132.53244	1.0
140.74117	0.9
160.04085	0.9
271.20807	2.0
275.23816	3.9
289.21722	2.7
301.21738	6.6
315.19852	5.2
317.20459	1.3
319.22849	50.6
320.23285	5.9
329.28467	4.3
368.78137	0.9
373.27502	10.5
374.27902	2.6
417.26529	98.3
418.26862	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	417.2658
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
51.02266	0.5
55.01754	0.3
57.03320	0.4
59.01263	8.9
61.98716	0.7
67.01779	1.8
69.03345	51.6
70.01569	1.3
70.03683	1.3
71.01268	1.3
71.04917	2.5
85.02854	3.3
85.06487	6.0
87.00755	2.0
87.04427	1.5
97.02855	100.0
98.03198	2.4
99.04424	1.3
106.33824	0.3
113.02345	0.8
115.03927	19.7
116.04284	0.6
121.06474	0.3
153.05226	0.3
165.12862	0.7
167.85068	0.3
225.13425	0.3
266.50449	0.4
266.76172	0.3
273.21973	0.4
275.23822	3.1
276.24057	0.5
301.21814	5.4
302.22189	0.7
319.22849	43.6
320.19638	0.6
320.23172	5.2
329.28525	3.6
330.29144	0.9
355.26520	0.4
373.23505	0.3
373.27625	6.4
374.27893	1.3
417.26602	45.6
418.18506	0.4
418.26935	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	417.2656
Annotation	6alpha-Angeloyloxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
57.86897	1.1
59.01266	100.0
60.01595	1.5
61.98731	2.5
62.49873	1.0
69.03349	7.2
70.00254	6.1
71.01299	1.6
71.04929	4.4
73.02870	1.4
83.01300	1.2
83.04942	4.8
85.02848	42.5
85.03364	2.1
87.00772	10.3
93.03393	1.6
97.02869	2.6
97.06497	1.6
99.04416	30.8
101.02424	1.8
109.06529	1.8
111.04477	1.8
113.02421	1.3
115.03927	3.6
123.08105	5.4
124.01601	9.9
125.09647	1.5
135.04446	2.3
161.02332	1.8
163.03992	2.2
163.11243	1.5
176.04039	1.8
179.03525	2.3
180.49837	1.2
181.05238	1.2
191.05705	1.2
205.16002	1.6
219.64072	1.2
221.19048	3.0
236.67447	1.3
257.19336	1.7
273.22375	3.5
275.20389	4.1
289.21921	4.1
291.19781	3.2
291.23291	22.4
292.23938	1.8
317.21149	6.2
318.21616	2.2
319.22720	2.6
329.17831	1.3
335.18820	1.6
335.22327	6.6
373.23618	1.8
373.27765	6.4
374.28339	1.5
417.09769	8.2
417.26782	69.5
418.27280	12.3
418.40750	1.5
419.99020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31008	0.5
57.03347	0.6
59.01260	1.7
63.64580	0.6
69.03354	3.8
70.08111	1.6
71.04919	0.5
81.03352	12.5
81.91588	0.4
83.04915	0.8
97.06477	1.0
99.04420	100.0
100.04742	3.7
101.05984	1.7
107.96875	0.5
109.06506	0.7
115.93693	0.5
121.10178	0.7
123.08054	0.6
125.06024	0.5
125.09626	0.5
149.09715	1.1
151.11240	1.0
163.11226	2.7
165.12802	1.5
181.12343	1.7
201.16422	0.6
203.18074	1.5
205.16028	0.9
261.22302	1.5
273.22281	19.4
274.22705	2.1
289.21848	0.8
291.23416	5.5
304.24658	0.5
305.21356	1.1
317.21268	5.9
318.21741	0.6
335.22345	34.9
336.22647	3.8
355.26535	1.3
373.23190	0.6
373.27515	26.6
374.28003	3.8
417.26541	30.6
418.26904	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	417.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01602	0.9
67.80029	0.3
69.32652	3.2
69.70992	0.2
71.01273	4.0
73.02848	1.2
78.95810	0.5
82.33920	0.3
83.01300	1.4
85.02847	3.0
86.24889	0.3
87.00784	0.8
88.07919	0.3
89.02335	1.5
93.03344	1.5
95.01286	0.4
99.00761	0.4
99.04430	0.4
101.02367	3.6
107.01311	0.7
109.41415	0.3
111.00816	0.6
111.04456	0.5
113.02401	1.6
119.03410	0.4
119.04961	0.5
125.49134	0.3
133.02867	0.3
145.02927	0.5
146.84993	0.3
151.00316	1.8
151.04036	0.3
159.02963	0.4
161.04559	1.4
163.03970	0.5
173.04500	1.5
191.05585	4.8
192.05975	0.3
201.04060	1.0
205.56754	0.3
213.05592	0.5
257.04550	0.5
260.73642	0.3
284.03308	1.9
285.04123	5.1
286.04581	0.6
375.23996	2.4
417.08350	3.0
417.21481	1.1
417.26697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01602	0.9
67.80029	0.3
69.32652	3.2
69.70992	0.2
71.01273	4.0
73.02848	1.2
78.95810	0.5
82.33920	0.3
83.01300	1.4
85.02847	3.0
86.24889	0.3
87.00784	0.8
88.07919	0.3
89.02335	1.5
93.03344	1.5
95.01286	0.4
99.00761	0.4
99.04430	0.4
101.02367	3.6
107.01311	0.7
109.41415	0.3
111.00816	0.6
111.04456	0.5
113.02401	1.6
119.03410	0.4
119.04961	0.5
125.49134	0.3
133.02867	0.3
145.02927	0.5
146.84993	0.3
151.00316	1.8
151.04036	0.3
159.02963	0.4
161.04559	1.4
163.03970	0.5
173.04500	1.5
191.05585	4.8
192.05975	0.3
201.04060	1.0
205.56754	0.3
213.05592	0.5
257.04550	0.5
260.73642	0.3
284.03308	1.9
285.04123	5.1
286.04581	0.6
375.23996	2.4
417.08350	3.0
417.21481	1.1
417.26697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2293
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
50.11995	1.5
51.01652	1.6
59.01006	1.9
59.01266	31.4
62.19537	1.7
69.03330	4.1
71.60835	2.4
71.61526	1.8
72.69168	1.4
79.05391	3.3
82.44213	1.5
83.04879	7.0
85.02847	92.4
95.04903	3.0
97.06512	11.7
99.04418	20.4
100.04688	2.2
104.72018	1.7
107.04916	2.1
109.06519	11.9
121.06493	8.0
122.03598	5.2
123.04395	2.4
123.08049	3.8
124.05143	2.9
125.05993	3.1
135.04375	4.6
136.05171	4.6
143.14644	1.5
149.09613	2.1
150.06699	2.8
177.12830	14.4
185.13303	2.1
203.14330	3.0
205.12355	15.2
228.55371	1.7
241.19440	2.0
311.23871	10.1
317.20895	2.5
329.21292	2.3
329.24908	28.8
330.25064	5.4
335.21951	2.1
345.24466	20.1
346.24734	2.3
373.23889	25.1
374.24054	4.8
417.22571	100.0
418.23071	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	417.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01598	1.2
61.98703	0.5
63.63392	0.4
71.01295	1.0
71.58644	0.6
73.02840	0.4
75.00775	0.5
75.53374	0.3
85.02898	0.6
85.89088	0.3
87.00768	0.6
99.04433	1.9
101.02370	0.4
103.81274	0.4
107.31637	0.3
113.02370	0.4
135.04462	0.4
151.00372	0.6
161.02460	0.6
195.13948	0.7
207.06366	0.4
241.01514	0.4
255.03014	0.7
283.02679	1.2
284.03381	0.8
285.04214	1.1
322.17981	0.9
335.22601	0.5
343.25162	1.0
357.19406	0.7
417.08319	0.5
417.26599	3.8
418.26752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2269
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
57.03328	2.5
59.01267	34.2
59.98400	0.8
61.98712	1.0
62.37136	0.6
69.03342	6.6
71.04913	1.7
83.04921	13.2
85.02824	1.1
89.02278	0.8
97.06506	1.2
99.04421	12.8
101.02329	0.8
105.07009	0.7
110.14253	0.6
111.08051	0.7
113.02364	0.9
123.08074	2.6
124.01597	1.5
125.09624	1.4
147.11752	1.3
149.09602	1.8
149.13280	0.7
151.74023	0.7
152.01073	1.8
163.11139	1.1
165.12776	1.5
167.03430	2.7
167.10742	5.1
167.14339	1.0
183.02917	1.0
185.32462	0.7
193.12244	2.4
224.93102	0.7
229.50821	0.8
251.16611	3.7
257.18967	0.8
273.22348	3.2
317.21307	3.3
335.22357	70.6
336.22641	8.5
357.20544	5.1
358.20624	1.0
367.32370	0.7
417.22580	100.0
418.22934	14.1
418.28067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97639	0.2
59.01264	100.0
60.01598	1.1
67.40802	0.1
69.44247	0.1
71.44306	0.3
84.70897	0.1
108.00709	0.1
112.23937	0.2
224.26988	0.2
315.18274	0.3
417.21573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.5
57.03344	1.4
58.00486	2.0
59.01269	100.0
60.01610	1.2
69.03353	0.6
69.55354	3.7
71.01275	34.3
72.99202	1.7
73.02840	26.8
81.03365	0.7
83.01279	7.8
85.02846	7.8
87.00763	3.1
89.02345	15.8
95.01302	2.1
97.02844	1.1
99.00788	1.5
100.90821	0.4
101.02353	25.1
113.02367	10.6
115.03975	0.5
119.03432	4.6
125.02383	1.6
131.03462	1.1
143.03474	0.5
151.59615	0.5
161.04582	0.7
183.13834	1.3
195.13890	18.5
195.51112	0.5
196.14276	1.1
213.14984	7.6
214.15260	1.0
252.11812	0.5
357.19327	11.3
358.19641	1.5
375.20334	26.8
376.20670	2.9
413.62381	0.5
417.21408	95.9
418.21738	13.4
418.27313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
59.18998	0.2
60.01607	1.0
62.51412	0.2
67.45522	0.2
71.01281	0.3
71.37492	0.5
74.80861	0.2
126.43158	0.2
175.82704	0.2
180.46626	0.2
274.99734	0.2
283.15564	0.2
340.38675	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81774	0.2
59.01265	100.0
60.01596	1.3
64.85665	0.2
69.53331	1.4
69.53744	0.5
80.36196	0.2
98.84884	0.2
102.80408	0.2
113.02363	0.3
143.34413	0.2
174.01732	0.2
182.04553	0.2
381.14349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25070	0.2
51.26106	0.3
59.01267	100.0
60.01609	1.3
66.49059	0.2
71.01270	0.6
73.02859	0.3
93.95918	0.2
97.95135	0.3
101.02384	0.3
113.02422	0.3
113.72224	0.2
391.90421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.6
59.01267	100.0
60.01604	2.5
61.16079	1.0
62.37944	1.1
63.64623	0.9
68.32993	0.9
68.93909	0.8
69.77682	2.0
69.78099	4.8
71.01272	13.2
73.02848	4.4
75.00758	1.4
81.03353	1.2
83.01263	2.0
85.02850	8.2
87.00768	2.7
89.02348	1.8
93.03379	4.8
99.00770	2.1
99.04435	2.8
101.02361	8.0
111.00785	1.0
113.02371	4.2
115.31090	0.8
116.75342	0.9
119.04939	3.0
122.70870	1.0
123.04489	1.3
129.01854	1.0
134.03607	0.9
135.04459	1.2
137.02348	1.1
143.03415	1.4
145.02856	1.8
161.04568	5.8
163.03940	2.2
170.88100	0.9
173.04507	4.3
179.05571	1.1
191.05577	11.9
267.07324	2.4
331.17630	9.1
373.18732	5.6
417.26682	5.6
418.10892	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	417.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.9
57.03344	1.0
59.01266	100.0
60.01621	1.1
61.98721	0.7
69.03336	0.5
69.53203	1.1
69.53613	2.8
71.01272	25.3
72.99197	0.7
73.02837	8.0
75.00764	1.2
83.01290	3.0
85.02842	10.8
87.00788	1.0
87.73148	0.5
89.02359	3.0
93.03381	1.9
95.01294	1.9
96.95896	0.6
97.02881	1.3
99.00787	4.0
101.02348	17.7
101.03006	1.0
113.02363	11.8
114.57227	0.4
119.05000	0.8
125.02385	0.9
129.01912	0.8
135.04387	0.6
139.07506	1.0
143.03467	2.0
145.02896	0.8
149.04504	0.8
159.02939	3.9
161.04509	39.3
162.04863	1.2
163.04002	0.7
165.09164	3.7
173.04539	1.2
179.03400	0.6
191.05569	5.6
192.05803	0.5
195.10338	0.6
205.03534	1.4
225.36334	0.5
284.03003	0.6
285.04047	0.6
355.71567	0.5
357.15598	26.5
358.15924	3.2
417.17709	1.7
417.26611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49156	0.9
57.03340	2.8
58.00463	1.6
59.01266	100.0
67.01777	1.5
71.01271	33.4
71.59596	1.0
71.59959	1.3
71.68022	0.9
72.99194	6.8
73.02839	5.1
75.00771	8.9
81.03355	1.4
83.01276	2.7
85.02848	14.8
87.00780	3.7
89.02338	30.7
93.03378	7.1
95.01295	1.6
96.95940	1.4
96.96789	0.9
97.02869	1.5
99.00806	2.6
101.02354	22.4
105.01839	2.4
109.02892	1.2
113.02361	14.9
117.03408	1.3
119.03407	11.4
119.04943	3.2
121.02866	1.3
123.04474	1.3
125.02358	1.2
129.01869	8.9
131.03481	1.3
133.02924	1.6
135.02898	1.1
135.04442	1.2
137.02330	1.1
139.00267	1.2
143.03445	2.8
145.02934	2.6
147.02963	2.9
149.04448	1.1
153.01849	1.0
159.02960	2.2
159.04440	0.9
161.02460	1.7
161.04506	22.2
163.03993	3.2
173.04504	5.0
177.09180	3.8
179.05547	8.6
181.05049	1.5
189.12756	2.0
191.01859	1.5
191.05602	22.6
192.05905	1.6
195.10245	3.0
205.03580	1.6
206.09439	1.0
257.87939	1.0
330.07602	1.3
357.15637	31.0
358.15933	3.4
417.12811	1.5
417.17911	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	417.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74767	0.8
50.90062	0.8
57.03355	1.0
59.01266	100.0
60.01595	1.9
71.01266	9.1
71.07542	1.9
73.02846	4.0
75.27462	0.9
79.81754	0.8
85.02840	2.5
87.00772	1.8
89.02348	6.2
93.03329	2.0
94.76806	1.0
96.95921	2.7
99.04417	1.6
101.02357	5.4
107.76279	0.9
108.84272	1.0
113.02380	4.8
119.03416	2.8
129.67447	1.1
135.04497	1.4
145.02875	2.0
145.81764	0.9
161.02446	1.0
161.04587	1.9
163.03992	1.4
166.21939	1.1
173.04529	2.6
179.03519	1.0
191.05589	12.9
331.17618	1.9
417.26331	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	417.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.0
57.03329	1.8
58.00487	2.2
59.01266	100.0
60.01611	1.1
61.98695	0.7
69.03348	3.1
70.92944	0.7
70.93282	1.7
71.01271	45.4
71.04904	1.0
72.01609	0.7
72.99197	2.1
73.02839	50.1
74.03182	0.7
75.00761	1.1
78.07480	0.6
81.03336	1.0
83.01283	14.5
83.04928	1.3
85.02842	6.0
87.00793	3.1
89.02335	15.2
93.03364	2.0
95.01300	2.1
95.04928	3.7
97.02875	2.6
97.06516	2.6
99.00808	1.4
99.04434	1.8
101.02350	35.7
102.02682	0.8
107.04952	4.2
111.04470	0.8
113.02358	13.2
115.07545	5.0
119.03409	6.4
120.40162	0.7
122.03688	0.7
125.02383	1.7
131.03448	2.9
133.02876	1.0
135.04500	2.3
135.08197	0.7
136.05260	2.0
137.02405	1.3
139.11246	2.8
143.03479	3.0
146.50313	0.6
149.04526	1.9
149.09662	1.7
151.11229	31.9
152.11584	1.5
153.12788	1.0
155.03415	1.2
161.02423	2.6
161.04465	6.4
163.03975	0.9
164.08411	1.6
165.05542	0.8
167.10707	1.7
167.14415	1.0
169.12349	2.9
173.04567	1.5
175.14966	0.9
177.09192	5.7
179.03448	1.4
179.05649	1.9
185.11859	2.4
185.40521	0.7
191.05638	3.2
193.12315	7.3
195.10251	60.6
196.10608	3.8
197.11917	0.8
211.13440	2.6
213.11310	10.5
213.13181	0.7
219.13985	2.5
229.84367	0.8
237.14964	9.7
238.15402	1.0
271.02676	1.0
271.78909	0.7
287.13278	1.7
300.02704	1.2
399.20541	0.9
417.16110	1.8
417.21399	20.8
417.26379	2.7
418.21811	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	417.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.5
57.03343	3.5
58.00497	1.0
59.01266	27.4
60.01596	0.3
67.01775	1.5
68.99699	2.8
69.03346	3.1
69.37254	1.3
69.37676	2.2
71.01273	27.0
72.99201	6.8
73.02842	2.2
75.00766	24.2
81.02893	0.5
81.03351	1.4
83.01286	1.3
83.04916	1.0
84.02068	0.7
85.02847	27.8
85.06477	0.5
86.03175	0.7
87.00778	9.9
89.02339	6.9
91.03922	1.4
93.03387	1.0
95.01291	7.7
96.11091	0.4
97.02882	0.7
99.00786	14.8
99.01437	0.8
99.04450	1.7
99.08059	2.2
101.02393	0.5
103.00277	2.7
109.02915	0.7
110.75391	0.3
111.00812	1.6
111.04447	0.5
112.01568	0.7
113.02361	37.2
114.02695	0.9
115.00298	2.7
117.01842	4.3
121.02853	0.4
121.10151	1.2
123.04457	0.4
129.01849	2.6
131.03473	0.8
139.00320	0.5
149.04613	0.5
149.09612	1.7
157.01413	1.2
161.04443	0.5
167.10738	48.8
168.11075	2.8
175.02460	3.8
189.04073	0.7
199.64874	0.4
205.07123	1.8
207.05136	1.2
223.08269	1.0
231.05139	2.9
249.06198	47.1
250.06490	2.8
267.07278	100.0
268.07660	4.8
335.22308	0.5
336.61932	0.4
357.15753	0.5
399.16718	0.6
417.17770	71.5
417.26733	3.5
417.65579	0.4
418.18121	9.0
418.26688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96387	0.5
55.01761	1.7
57.03339	5.4
58.00480	1.0
59.01266	32.6
67.01775	1.2
68.99702	2.5
69.03341	5.0
71.01270	30.5
72.34879	0.6
72.99201	8.0
73.02837	2.3
75.00763	32.0
81.03359	1.3
81.98245	0.5
83.01283	2.2
83.04952	0.7
84.02052	0.8
85.02843	35.0
85.06503	0.5
86.03184	0.6
87.00771	12.6
88.31602	0.7
89.02342	7.7
90.95889	0.7
91.03927	1.5
93.03368	1.8
95.01286	10.0
97.02884	0.8
99.00777	16.1
99.08075	3.1
101.02371	1.6
103.00268	3.5
103.03888	0.6
111.00803	2.4
113.02357	39.7
114.02708	1.3
115.00293	3.3
117.01861	4.8
121.10150	1.2
129.01866	3.3
131.03410	0.7
139.00278	0.6
140.33057	0.6
149.09700	1.8
157.01378	2.1
167.10730	63.7
168.11082	4.8
175.02400	4.9
189.03979	0.9
205.07195	1.8
207.05139	1.8
223.08281	1.2
231.05174	3.6
249.06201	57.1
250.06471	3.7
267.07278	100.0
268.07571	5.3
399.16693	1.0
417.17746	87.7
418.18103	10.2
434.37625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.0
57.03329	1.8
58.00487	2.2
59.01266	100.0
60.01611	1.1
61.98695	0.7
69.03348	3.1
70.92944	0.7
70.93282	1.7
71.01271	45.4
71.04904	1.0
72.01609	0.7
72.99197	2.1
73.02839	50.1
74.03182	0.7
75.00761	1.1
78.07480	0.6
81.03336	1.0
83.01283	14.5
83.04928	1.3
85.02842	6.0
87.00793	3.1
89.02335	15.2
93.03364	2.0
95.01300	2.1
95.04928	3.7
97.02875	2.6
97.06516	2.6
99.00808	1.4
99.04434	1.8
101.02350	35.7
102.02682	0.8
107.04952	4.2
111.04470	0.8
113.02358	13.2
115.07545	5.0
119.03409	6.4
120.40162	0.7
122.03688	0.7
125.02383	1.7
131.03448	2.9
133.02876	1.0
135.04500	2.3
135.08197	0.7
136.05260	2.0
137.02405	1.3
139.11246	2.8
143.03479	3.0
146.50313	0.6
149.04526	1.9
149.09662	1.7
151.11229	31.9
152.11584	1.5
153.12788	1.0
155.03415	1.2
161.02423	2.6
161.04465	6.4
163.03975	0.9
164.08411	1.6
165.05542	0.8
167.10707	1.7
167.14415	1.0
169.12349	2.9
173.04567	1.5
175.14966	0.9
177.09192	5.7
179.03448	1.4
179.05649	1.9
185.11859	2.4
185.40521	0.7
191.05638	3.2
193.12315	7.3
195.10251	60.6
196.10608	3.8
197.11917	0.8
211.13440	2.6
213.11310	10.5
213.13181	0.7
219.13985	2.5
229.84367	0.8
237.14964	9.7
238.15402	1.0
271.02676	1.0
271.78909	0.7
287.13278	1.7
300.02704	1.2
399.20541	0.9
417.16110	1.8
417.21399	20.8
417.26379	2.7
418.21811	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	417.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.3
57.03334	2.7
58.00488	1.6
59.01268	46.4
67.00408	0.9
69.03327	1.4
70.93100	2.1
70.93476	2.1
71.01276	42.8
72.01620	1.8
72.99207	5.1
73.02843	10.9
75.00748	4.0
81.03364	1.2
83.01271	4.2
83.04918	1.3
83.17005	1.0
83.18006	1.2
85.02850	12.4
86.96579	1.2
87.00790	5.8
89.02342	54.0
93.03368	4.7
95.01257	1.8
95.04942	1.6
97.02856	2.4
99.00777	14.1
99.04434	3.1
100.01087	1.2
101.01711	1.5
101.02353	28.5
102.02693	1.1
105.01866	1.3
105.03365	1.7
107.04955	2.1
111.04408	1.8
113.02359	11.2
115.03929	1.5
119.03401	4.1
119.04890	1.9
121.02889	2.0
123.04446	84.7
124.04746	2.7
125.02354	3.8
129.01805	1.6
131.03447	8.5
135.04529	1.6
137.05968	1.4
143.03416	2.2
143.04478	1.0
149.04510	30.5
150.04832	1.3
151.07617	1.2
153.01852	1.7
161.04489	3.3
165.05418	1.2
173.04445	2.6
177.09129	1.6
179.05647	1.1
179.07094	2.9
179.46771	1.1
191.03951	1.7
191.05592	20.1
192.05835	1.1
198.05345	2.6
213.07626	1.6
221.06645	3.1
233.06662	1.5
237.11281	3.2
251.07796	2.0
274.08704	1.0
285.09863	28.4
286.10168	2.7
311.09875	2.5
357.15622	1.4
417.14032	100.0
417.26346	3.5
418.14517	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	417.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87735	2.3
55.40138	2.2
59.01268	42.4
65.00204	3.0
65.05706	2.0
67.01769	4.2
70.26496	4.3
70.26875	3.7
71.01270	5.9
72.99200	7.1
73.02818	2.8
77.96432	2.3
78.95768	11.9
79.10272	2.2
83.04926	4.3
85.02839	17.6
87.00775	7.1
87.30396	2.8
89.02335	4.9
93.03353	22.9
94.66119	2.2
95.01292	2.9
95.04879	4.7
96.96852	7.5
99.04401	8.3
101.02293	2.8
105.03349	3.0
107.04948	3.3
109.02837	7.9
111.04406	8.9
121.02876	21.7
123.00788	6.3
123.04420	8.0
124.01600	3.6
127.03966	4.5
133.02881	5.7
134.03664	24.3
135.04454	5.7
137.02409	16.0
138.03113	4.7
139.03937	5.4
148.01605	13.6
148.43431	2.4
149.02409	19.5
149.04468	3.2
150.03134	7.0
151.03951	3.5
153.05513	11.2
155.03429	5.7
163.03952	17.2
165.05565	3.4
166.02654	14.2
167.03461	4.4
173.04480	25.9
176.01141	3.5
177.01947	3.1
181.05009	10.8
191.05591	100.0
192.05881	7.7
193.01349	3.5
193.05026	29.9
194.05472	2.9
207.02933	4.6
208.03682	4.1
209.04533	6.6
225.04164	2.9
249.08965	6.2
306.67377	3.3
331.80826	2.6
366.09656	5.9
367.10333	16.8
415.97287	2.6
417.10135	4.5
417.26486	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	417.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.8
58.00476	1.1
59.00994	1.5
59.01267	17.7
60.99191	1.5
61.98718	1.8
67.01772	4.1
68.68734	1.0
69.03342	1.7
70.83997	0.9
71.01270	9.1
71.59628	1.5
72.99203	3.5
73.02837	2.6
75.00768	1.9
80.53672	0.9
81.03361	2.5
83.01287	1.3
83.04935	1.6
85.02847	20.3
87.00761	9.6
89.02331	3.0
93.03364	29.7
95.01305	1.7
97.02859	1.3
98.22337	0.9
99.00778	2.2
99.04436	1.9
101.02330	2.9
108.02074	3.6
109.02892	5.3
111.04417	4.5
113.02359	4.0
118.31746	1.0
119.04937	1.7
121.02895	5.6
123.00809	3.6
123.04436	5.3
127.03934	3.5
129.01956	0.9
133.02899	1.3
134.03648	2.1
135.04456	1.6
136.01625	1.8
136.05302	1.2
137.02368	7.0
138.03128	2.9
139.03917	2.1
139.07559	2.2
145.02968	1.8
148.01556	3.7
149.02385	5.0
151.03920	2.7
153.05527	2.7
155.03416	1.6
161.02441	1.1
161.04501	3.3
163.03947	5.3
164.01102	1.1
165.01828	1.0
165.05460	1.3
166.02626	4.2
171.02979	1.1
173.04523	15.6
181.05089	6.5
186.31892	1.0
191.05592	100.0
192.05899	4.3
193.01375	2.1
193.04976	2.5
195.10167	0.9
209.04465	1.5
225.04126	1.5
234.51765	1.0
247.04617	1.5
357.15527	1.9
367.10300	3.1
381.17487	1.0
382.09174	1.1
394.15097	1.0
400.00021	1.1
417.14084	1.2
424.04376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.8
59.01266	12.2
60.99190	1.1
63.47551	0.7
67.01772	3.1
68.01333	0.7
71.01269	4.8
71.57090	1.2
72.99200	3.9
73.02822	1.6
78.95797	1.0
79.32539	0.7
81.03362	1.8
83.04938	1.0
85.02843	13.8
86.10088	0.7
87.00773	7.7
88.32383	0.6
89.02351	2.8
93.03364	21.4
95.01301	1.4
95.04909	1.1
96.95884	0.9
99.00779	2.1
99.04397	2.3
101.02319	1.6
108.02079	2.3
109.02903	3.3
111.04417	4.1
113.02348	1.4
119.04929	0.8
121.02864	7.1
122.03251	0.8
123.00780	3.2
123.04427	8.3
127.03915	3.1
130.64861	0.7
134.03673	1.7
135.04442	1.1
136.01624	0.9
136.05200	1.0
137.02397	4.9
138.03163	2.4
139.03954	1.7
148.01582	2.0
149.02374	3.5
149.04503	1.2
149.05954	0.8
150.03174	1.1
151.03958	2.2
153.05536	4.1
155.03400	1.5
161.04514	1.3
163.03987	4.7
164.01074	0.7
165.01840	1.2
165.05542	1.9
166.02660	4.1
171.02927	0.9
173.04500	11.4
181.04974	6.0
191.05585	100.0
192.00722	0.7
192.05905	5.2
193.01476	1.5
193.04907	1.1
208.03674	1.3
225.04048	1.7
238.80861	0.6
245.30513	0.7
264.84042	0.8
273.59647	0.6
285.09924	1.8
301.70093	0.7
328.42487	0.8
335.22296	0.9
337.09329	0.7
367.10300	4.7
383.09821	1.4
417.14194	2.1
417.26416	3.4
429.09091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0838
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01258	2.6
63.02285	9.8
65.00214	5.6
69.32993	2.7
69.33392	1.0
73.02841	0.5
83.01276	9.2
87.00767	0.6
89.02342	0.8
93.03364	1.6
95.01274	1.4
98.20525	0.7
101.02360	1.2
107.01297	20.1
108.01551	0.5
113.02303	0.5
115.29809	0.4
120.02102	0.5
123.00829	1.0
123.04442	1.3
132.02116	2.3
133.02951	0.8
137.02318	0.5
143.04913	0.8
145.02910	0.8
147.04416	0.4
149.99500	1.1
151.00316	45.6
152.00591	1.8
161.04465	0.9
163.00290	2.3
164.01111	4.2
165.01804	0.4
167.04883	0.4
169.01378	7.7
169.04745	0.3
169.06454	0.5
171.04453	1.2
173.04500	0.5
185.06070	4.0
191.05623	0.6
192.00613	1.2
195.04544	0.4
197.05966	0.6
199.03908	0.9
201.05482	0.5
211.03952	0.9
213.05588	5.3
214.05997	0.4
227.03464	1.2
228.04195	0.5
229.05031	3.1
239.03584	0.6
240.04384	0.8
241.05096	2.8
255.03003	0.7
256.03525	0.4
257.04608	16.7
258.04883	1.4
283.02560	1.0
284.00043	0.6
284.03333	33.9
285.04105	100.0
286.04440	8.9
417.08362	53.1
417.25552	0.7
418.08661	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	416.2665
Annotation	(-)-Sphingofungin E
Peak:m/z	Relative Intensity
57.03333	1.0
58.02869	0.9
59.01267	25.2
60.01616	2.3
60.99199	1.0
63.86080	0.3
69.03347	0.9
69.39668	1.4
69.40095	1.8
71.01252	0.7
71.04912	1.2
72.00792	2.4
72.04440	2.4
73.04816	0.4
74.02363	84.6
75.02682	0.9
83.04924	2.7
84.04416	0.4
85.02864	0.8
87.32961	0.3
90.08127	0.3
97.06496	2.0
97.79106	0.3
99.04416	0.5
99.08056	2.4
101.02319	0.4
104.03440	12.8
113.02355	0.5
116.83266	0.3
119.04930	0.3
125.09650	3.2
135.04463	0.4
137.09662	0.4
138.82576	0.3
144.07860	0.3
156.13878	1.1
163.11176	0.5
163.12503	0.3
165.12787	0.9
167.14383	0.8
170.11836	3.1
184.13451	1.8
188.04764	0.3
191.05632	1.0
193.12320	1.7
196.13449	0.4
196.17058	1.7
206.15437	0.4
208.17012	1.9
208.20636	0.3
211.13422	1.1
212.16565	0.7
218.15518	0.8
222.14990	0.3
224.16595	2.2
229.14539	0.3
236.16594	1.6
242.17529	0.5
254.17627	0.9
263.56049	0.4
299.01840	0.4
329.23486	0.6
354.26465	0.5
386.25562	25.4
387.25885	2.3
398.25433	1.5
416.26630	100.0
417.26926	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.0
57.03333	1.6
58.00484	1.5
59.01263	100.0
69.03323	1.0
71.01270	24.1
72.99190	2.3
73.02840	6.3
82.26717	0.9
83.01285	3.9
83.04942	1.0
85.02842	12.6
86.02328	1.8
87.00739	5.8
89.02343	8.4
93.03371	5.0
95.01287	2.0
96.95911	1.5
99.00778	3.0
99.04429	3.6
101.02345	14.7
102.98478	2.0
111.00731	1.0
113.02350	9.4
113.73666	1.2
117.97203	6.4
119.03392	2.7
128.03452	2.6
135.04468	4.0
155.03497	1.2
159.02913	1.3
161.02330	2.4
161.04474	7.0
165.05452	1.2
173.04471	2.9
179.03462	1.9
179.05540	1.3
191.05579	15.1
195.19777	1.0
229.90399	1.1
271.02548	1.9
299.02023	1.3
327.12482	1.6
331.17758	5.6
356.17245	1.8
368.17764	1.4
374.18250	3.1
405.42941	1.1
416.19083	2.5
417.21295	14.9
417.26086	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	415.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01627	0.9
62.87565	0.7
70.14757	2.1
70.15155	1.3
81.03362	1.3
95.04900	1.3
95.08707	0.7
99.04414	22.7
100.04784	0.8
121.06642	0.9
168.18019	0.7
221.26897	0.8
236.13795	0.7
269.01596	0.7
289.21896	1.4
319.22986	1.4
333.20752	1.8
371.25949	1.8
415.24573	9.6
415.29916	1.6
416.29889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1701
Annotation	Tirandamycin A
Peak:m/z	Relative Intensity
59.01268	7.4
61.98721	100.0
71.58377	0.9
73.52621	0.5
75.00771	0.4
84.00803	1.9
85.02838	0.6
89.83342	0.5
97.02849	2.3
99.04422	3.1
127.07572	0.9
189.12863	1.5
191.07156	0.5
205.08737	1.1
230.68878	0.5
269.19131	0.6
313.18225	3.6
331.19269	3.7
332.19403	0.7
335.22284	0.5
360.85382	0.5
372.02167	0.5
415.97321	0.5
416.16998	27.9
417.17532	3.4
417.26688	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	415.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91923	0.1
56.19583	0.1
57.60570	0.1
59.01269	2.5
59.05005	0.2
65.38108	0.2
69.03340	0.4
70.15466	0.6
71.04898	0.4
81.03359	1.5
83.04900	0.2
92.46507	0.2
97.02845	0.6
97.06475	0.2
98.19785	0.3
99.04419	100.0
100.04757	2.9
105.54842	0.2
111.04419	1.2
115.03948	0.3
119.04942	0.3
121.06500	2.3
123.08065	0.3
147.08182	0.2
149.09741	0.2
151.11252	0.4
163.11267	0.2
165.12801	0.2
203.14374	0.7
271.20700	3.0
272.21167	0.3
287.20209	0.3
289.21854	0.7
315.19739	3.0
316.20041	0.4
319.22876	0.3
333.20706	1.3
347.18744	0.2
371.25998	0.5
415.24994	37.2
416.25314	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	415.25
Annotation	3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13dien-15,16-olide
Peak:m/z	Relative Intensity
55.01793	0.2
57.03337	3.2
59.01262	1.8
69.03350	1.3
69.14608	0.3
70.11426	1.3
82.97865	0.2
83.04918	2.0
95.04927	0.3
97.06484	0.9
98.00003	0.5
98.11078	0.3
99.04419	100.0
100.04763	2.3
109.02861	0.4
109.06503	5.3
111.08087	1.2
121.06491	0.9
123.08081	0.4
136.05215	1.9
137.06027	0.3
149.06001	0.3
151.11270	0.3
152.68755	0.3
163.11201	1.7
176.22298	0.2
179.10785	0.6
203.14459	0.3
212.60532	0.3
219.13979	0.8
219.17464	1.4
231.17624	0.6
261.22330	0.3
271.20648	1.2
287.20526	0.3
289.21817	16.8
290.22101	2.1
315.19669	0.6
315.23160	0.3
327.26999	3.7
328.27301	0.5
333.20761	0.9
343.26297	1.8
353.24930	0.3
371.25992	27.1
372.26315	4.1
387.25372	0.5
415.24997	42.8
416.25351	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	415.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.3
59.01273	1.4
65.44802	0.2
68.16652	0.2
69.03336	1.0
69.59721	1.0
69.60130	0.6
71.01305	0.3
71.04907	0.3
81.03349	0.4
83.01278	0.6
83.04913	0.3
90.12212	0.2
97.02851	1.0
97.06485	0.6
99.04419	100.0
100.04752	2.3
101.02360	0.3
109.02888	0.5
109.06483	0.7
111.04418	0.4
121.06490	0.6
123.08054	0.7
161.02477	0.2
161.09782	0.4
163.11212	0.8
165.12813	0.7
175.07510	0.3
189.09164	1.2
256.89468	0.3
271.20679	0.5
287.20242	0.4
289.21835	0.6
315.19711	10.2
316.20081	0.9
333.20770	6.2
333.24689	0.4
334.21072	0.6
371.25876	0.5
394.54398	0.2
415.24988	33.2
416.25308	5.2
427.03943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2499
Annotation	Vibsanin E
Peak:m/z	Relative Intensity
53.42434	0.4
55.01763	0.9
57.03344	0.8
59.01263	4.2
69.03342	4.1
70.33434	1.5
71.04912	6.5
81.03336	0.5
83.04906	1.3
85.02840	1.6
85.06488	0.4
90.87151	0.4
95.04915	0.9
97.06491	4.8
99.04417	36.4
100.04768	1.1
106.04137	1.0
107.04930	1.4
108.76469	0.4
109.06527	0.8
111.04445	0.8
111.08010	0.5
112.14529	0.3
121.06512	6.6
123.08077	10.1
125.09598	0.4
135.08049	0.8
137.09625	0.7
138.03099	0.4
138.53644	0.3
149.09668	0.4
151.11200	0.5
163.11237	6.7
164.11613	0.4
191.14412	1.3
193.84740	0.4
203.14404	1.5
203.94417	0.4
205.15872	0.4
217.15984	1.0
219.17540	2.3
220.18030	0.4
244.64795	0.4
245.15565	0.4
245.19148	0.5
271.20731	2.8
273.18680	0.5
287.16837	0.6
287.20203	3.2
288.17365	0.4
288.20486	0.5
289.21802	2.1
301.21838	0.4
303.19876	2.2
304.19980	0.5
311.23849	0.7
315.19617	3.2
327.27045	1.0
333.20764	7.4
333.24655	0.6
334.21103	0.7
347.18683	4.5
348.18869	0.4
355.22925	0.8
371.25989	4.1
372.26291	0.5
384.96368	0.4
415.24988	100.0
416.25327	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	415.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38258	0.6
55.01756	0.8
57.03337	24.7
57.93683	0.6
58.03644	0.7
59.01260	1.4
59.79705	0.7
62.30827	0.8
69.03352	4.0
71.01277	0.6
71.04914	1.0
71.06469	1.4
72.04713	0.6
72.63877	0.6
73.49346	0.6
73.74622	0.7
77.00550	3.7
83.04910	3.5
97.02840	0.9
97.06483	2.8
97.99973	1.4
99.04417	83.3
100.04747	3.3
109.06499	42.7
110.06818	2.1
111.08064	3.2
121.06496	3.9
123.08054	3.5
136.05237	4.2
136.61205	0.7
137.09691	1.4
149.09645	2.2
151.11198	1.9
161.09659	0.9
163.11255	9.1
164.11571	1.1
167.07986	0.7
177.12747	1.1
179.10675	4.0
196.98462	0.7
203.14456	1.5
203.38660	0.8
205.15967	2.8
219.13998	1.4
219.17540	7.9
231.17545	6.1
240.26991	0.8
261.22318	3.0
271.20807	6.1
287.20291	0.7
289.21802	98.0
290.22150	9.1
293.33755	0.8
327.26962	5.0
333.20892	1.3
337.21906	4.7
343.26443	3.1
364.98926	0.8
371.25970	97.7
372.26324	15.8
387.25549	1.7
415.24991	100.0
416.25327	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	415.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20414	0.2
57.03334	1.6
59.01264	4.4
59.11105	0.2
69.03343	0.5
69.30884	0.2
69.31194	2.3
71.00827	0.2
71.04902	0.2
81.03344	0.4
82.37740	0.2
83.04903	1.1
95.04887	0.3
97.06496	3.0
99.04417	100.0
100.04748	3.3
107.04927	0.5
109.06513	0.3
111.04417	1.5
119.04961	0.5
120.05692	0.3
121.06509	46.8
122.06850	2.0
123.08057	2.1
125.09662	0.6
135.08083	0.3
137.09651	0.7
147.08089	1.5
149.09662	0.5
151.11209	1.5
154.07268	0.2
154.62912	0.2
161.09691	0.3
161.13376	0.3
163.11243	0.6
165.12856	0.6
167.14418	0.2
171.08229	0.2
187.11240	0.7
189.09224	0.4
201.12851	1.1
203.10736	1.0
203.14389	1.8
219.17552	1.0
245.15422	0.3
255.17609	0.6
259.17255	0.2
269.19107	0.2
271.20728	8.5
272.21045	0.8
273.18674	0.5
287.20334	0.3
289.21783	9.0
290.22131	0.8
295.95139	0.2
315.19693	18.0
316.20032	2.6
333.20813	1.8
353.24835	0.8
371.25970	11.4
372.26199	1.4
397.23746	0.6
415.24976	90.9
416.25314	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	415.2499
Annotation	Vibsanin E
Peak:m/z	Relative Intensity
57.03328	0.4
59.01258	0.1
59.71031	0.1
61.19977	0.1
64.58875	0.1
65.00191	0.2
69.03342	0.2
70.91798	0.4
81.03349	100.0
82.03679	2.7
97.99983	0.3
99.04419	7.6
104.89047	0.1
109.06497	0.9
109.41055	0.1
193.80824	0.1
219.17580	0.2
271.20844	0.1
289.21790	0.9
327.26971	0.2
333.20895	0.4
363.17068	0.1
371.25980	1.6
387.25574	0.3
415.24991	18.0
416.25308	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.3
57.03345	1.7
59.00988	0.4
59.01268	5.2
61.98721	0.4
69.03357	1.0
70.10668	1.3
71.04919	0.3
76.99262	0.3
83.04933	1.5
95.04921	0.6
97.06499	2.7
99.04426	86.7
100.04751	2.0
107.04943	0.5
109.06503	0.6
111.04436	1.9
111.08090	0.3
118.66083	0.2
119.04935	0.6
121.06522	70.1
122.06866	3.4
123.08100	2.7
125.09681	0.8
132.55466	0.3
135.08115	0.4
137.09650	0.6
145.84792	0.2
147.08105	2.0
147.11772	0.5
149.09683	0.6
151.11229	2.1
161.09731	0.3
163.11284	0.7
165.12799	1.1
167.10744	0.3
167.14378	0.4
171.08305	0.2
171.60670	0.3
187.11305	0.7
189.09200	0.3
201.12830	0.9
203.10750	1.5
203.14456	1.7
219.17580	1.6
255.17644	0.5
259.17221	0.2
271.20752	10.4
272.21085	1.3
273.18732	0.7
287.20285	0.5
289.18542	0.4
289.21817	11.5
290.22174	1.0
315.19730	19.1
316.20087	2.4
317.21365	0.5
333.20801	2.0
334.21088	0.3
336.29373	0.2
351.40787	0.3
353.24847	1.2
354.25439	0.3
371.25995	13.9
372.26382	2.1
395.94858	0.3
397.23877	0.6
415.25012	100.0
416.25351	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	415.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38283	0.2
55.01786	0.3
57.03336	0.6
58.00480	0.3
59.01267	100.0
60.01610	0.9
67.63881	0.2
69.03362	0.2
69.38660	1.7
71.01272	7.8
72.01610	0.3
72.99208	0.6
73.02842	2.0
78.34056	0.2
78.95802	1.6
83.01283	1.1
85.02847	3.2
87.00794	1.0
89.02348	2.9
90.20946	0.2
93.03363	0.9
95.01316	0.6
96.96848	1.4
97.02882	0.2
99.00818	1.1
101.02353	5.4
102.98479	0.2
109.02895	0.3
111.04456	0.2
113.02360	3.3
119.03426	1.3
119.04958	0.4
125.02369	0.5
129.01852	0.3
135.04434	0.2
136.01666	0.2
145.02910	0.3
151.00346	0.4
153.01877	0.3
159.02980	0.6
161.04527	2.8
162.20432	0.2
163.03993	0.3
173.04535	0.8
179.05592	0.5
188.07191	0.2
191.05577	2.5
204.58057	0.2
211.06075	0.3
233.09497	1.6
234.09888	0.3
255.03156	0.5
265.08405	0.2
283.02609	0.4
285.15295	0.4
339.10034	0.8
373.22421	2.5
415.11044	0.4
415.19745	1.2
415.24731	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.25
Annotation	Vibsanin E
Peak:m/z	Relative Intensity
57.03341	1.3
59.01271	1.8
69.03358	0.3
77.88614	0.3
81.03341	0.6
83.04903	1.5
94.68699	0.3
97.06496	0.5
99.04422	100.0
100.04757	2.7
109.06506	3.9
111.04432	0.3
121.06522	0.5
124.01524	0.3
152.99559	0.5
163.11258	0.7
188.06331	0.3
189.45482	0.3
191.49149	0.3
219.17555	1.0
271.20822	1.1
279.23260	2.1
280.23688	0.4
289.21854	4.0
290.22198	0.3
309.63559	0.3
315.19733	1.7
316.20352	0.3
325.25464	0.4
333.20834	1.4
371.26004	5.0
372.26343	0.6
415.25006	46.9
416.25345	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76995	0.4
59.01265	3.8
63.12192	0.3
69.03344	4.6
70.99532	0.3
71.04907	0.6
71.58202	0.7
77.59151	0.4
81.03350	1.3
83.04922	0.7
88.37415	0.3
92.55477	0.3
97.06493	1.3
99.04417	100.0
100.04739	2.5
107.04898	0.4
109.02836	0.6
109.06467	0.6
110.70128	0.4
111.04414	1.1
114.93974	0.4
115.03920	0.4
121.06513	1.5
123.08051	1.9
124.01532	0.3
126.79601	0.3
163.11240	1.3
165.12759	1.0
187.11290	0.6
189.09242	0.5
203.14352	1.7
219.13934	0.7
219.17531	1.2
259.20621	0.4
261.22321	0.6
271.20776	2.4
272.21112	0.4
287.20132	0.5
289.18893	0.3
289.21796	5.9
290.22287	0.6
305.21280	8.2
306.21640	0.7
315.19711	10.0
316.20032	1.4
317.17572	0.4
319.22726	0.6
333.20773	96.2
334.21100	11.4
371.25928	0.9
415.24988	26.8
416.25354	4.2
423.48462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	8.4
78.95795	4.6
81.03350	0.6
83.04919	0.9
96.96837	0.7
97.02876	0.6
97.06492	0.5
98.20600	0.9
99.04418	33.6
121.06509	0.7
152.99522	25.3
153.99867	0.5
167.74951	0.6
171.63808	0.5
208.85970	0.6
227.20161	6.2
229.15996	0.8
279.23346	100.0
280.23706	12.0
289.21729	0.9
319.22556	0.6
333.20795	2.1
371.25827	1.0
415.24539	12.1
415.31708	0.8
415.32703	0.5
416.24750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50579	0.2
55.01775	0.5
57.03344	0.9
58.00502	0.4
59.01268	100.0
60.01613	1.0
64.72438	0.2
66.57040	0.3
68.01325	0.3
69.03368	0.5
69.81316	1.1
69.81731	0.4
71.01275	13.7
72.01625	0.3
72.99185	0.7
73.02842	12.2
74.03185	0.3
78.95796	3.5
83.01285	3.5
85.02843	2.9
87.00773	0.6
89.02346	5.3
93.03364	0.4
95.01315	0.7
96.96870	3.1
97.02865	0.4
99.00779	0.6
99.04439	1.2
101.02356	11.5
113.02363	5.4
113.03072	0.5
119.03455	1.3
119.04956	0.4
125.02397	0.4
128.72089	0.3
131.03453	0.9
143.03450	0.9
145.02898	0.4
149.04547	0.4
151.07620	1.2
155.03465	0.4
155.04610	0.4
157.74567	0.3
161.04536	1.7
173.04518	0.5
179.05690	0.5
191.05583	2.2
204.40468	0.3
233.09572	2.4
234.09972	0.6
235.10065	0.5
283.02481	0.4
373.22620	0.4
415.19699	0.7
415.24567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1984
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
54.32898	0.3
55.01770	1.2
56.97911	0.3
57.03332	1.3
58.00479	1.8
59.01266	100.0
60.01601	1.0
60.92198	0.3
62.99365	0.4
67.96828	0.3
69.03335	1.4
70.21155	0.3
71.01270	45.9
72.01604	0.7
72.02035	0.4
72.99193	2.2
73.02837	62.3
74.03149	0.9
75.00773	0.4
81.03355	0.7
83.01278	18.3
84.01617	0.4
85.02843	7.3
87.00779	2.1
89.02340	14.7
93.03363	0.5
95.01291	1.6
97.02863	1.2
99.00800	2.0
99.04417	3.4
101.02346	56.2
102.02684	1.3
102.98499	0.8
107.01311	0.4
113.02357	12.4
119.03416	5.1
122.80658	0.3
125.02378	3.0
131.03429	3.9
133.02884	0.9
135.04454	2.4
137.02347	1.2
143.03459	4.1
148.03722	0.4
149.04501	3.2
151.00327	0.6
155.03436	2.2
161.02350	1.2
161.04503	9.5
163.68587	0.4
168.33879	0.3
173.04506	1.3
179.03441	0.9
179.05560	0.8
191.05650	2.1
193.12299	8.3
194.12587	0.5
199.04102	0.5
203.05560	0.6
204.58868	0.4
211.13420	2.4
221.06526	0.6
229.47482	0.3
255.03073	0.5
271.02536	2.6
299.02032	3.7
300.02762	2.0
353.08881	0.5
355.17767	2.6
371.09723	0.6
373.18692	7.9
374.18939	0.8
415.19757	25.1
415.24368	1.6
416.20206	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	415.1985
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
52.64790	0.2
59.01267	100.0
60.01604	1.2
64.29979	0.2
66.05608	0.2
69.42113	0.4
69.42522	1.6
70.54862	0.2
71.01277	0.5
72.14421	0.2
74.86636	0.2
85.02901	0.2
93.03378	0.3
99.04451	0.7
101.02332	0.3
106.22009	0.2
113.02340	0.3
173.04587	0.4
191.05527	0.3
226.43074	0.2
313.16763	0.3
315.24884	0.2
415.24908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66302	0.2
59.01265	100.0
60.01600	1.2
62.00064	0.2
64.65542	0.2
65.00221	0.3
69.56061	1.3
69.56489	0.5
71.01272	0.3
73.55975	0.2
76.38800	0.2
81.42790	0.2
83.01288	0.3
89.02362	0.2
98.19807	0.5
101.02369	0.4
107.01300	0.4
109.02854	0.3
124.54757	0.2
125.02354	1.3
130.61601	0.2
141.80109	0.2
151.00325	2.2
153.01881	0.6
161.06036	0.2
169.01382	0.4
189.05440	0.2
197.01024	0.2
255.03003	0.3
289.07214	0.3
300.02689	0.3
313.16763	0.3
397.09476	0.3
428.01248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60703	0.1
57.58411	0.1
59.01268	100.0
60.01601	1.0
69.92629	0.5
71.01279	0.6
73.02857	0.2
85.02861	0.2
87.00812	0.1
89.02354	0.2
99.04438	0.6
101.02357	0.5
107.01245	0.1
109.02890	0.2
113.02341	0.3
142.10602	0.1
151.00323	0.2
168.08209	0.1
173.04501	0.2
191.05634	0.4
211.13428	0.3
242.05815	0.1
243.03181	0.1
255.03093	0.3
271.02673	0.2
283.02628	0.2
300.02765	0.8
313.16751	0.2
397.09607	0.3
415.10339	0.2
415.24783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32898	0.3
55.01770	1.2
56.97911	0.3
57.03332	1.3
58.00479	1.8
59.01266	100.0
60.01601	1.0
60.92198	0.3
62.99365	0.4
67.96828	0.3
69.03335	1.4
70.21155	0.3
71.01270	45.9
72.01604	0.7
72.02035	0.4
72.99193	2.2
73.02837	62.3
74.03149	0.9
75.00773	0.4
81.03355	0.7
83.01278	18.3
84.01617	0.4
85.02843	7.3
87.00779	2.1
89.02340	14.7
93.03363	0.5
95.01291	1.6
97.02863	1.2
99.00800	2.0
99.04417	3.4
101.02346	56.2
102.02684	1.3
102.98499	0.8
107.01311	0.4
113.02357	12.4
119.03416	5.1
122.80658	0.3
125.02378	3.0
131.03429	3.9
133.02884	0.9
135.04454	2.4
137.02347	1.2
143.03459	4.1
148.03722	0.4
149.04501	3.2
151.00327	0.6
155.03436	2.2
161.02350	1.2
161.04503	9.5
163.68587	0.4
168.33879	0.3
173.04506	1.3
179.03441	0.9
179.05560	0.8
191.05650	2.1
193.12299	8.3
194.12587	0.5
199.04102	0.5
203.05560	0.6
204.58868	0.4
211.13420	2.4
221.06526	0.6
229.47482	0.3
255.03073	0.5
271.02536	2.6
299.02032	3.7
300.02762	2.0
353.08881	0.5
355.17767	2.6
371.09723	0.6
373.18692	7.9
374.18939	0.8
415.19757	25.1
415.24368	1.6
416.20206	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	415.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42871	0.2
59.01266	100.0
60.01605	1.1
69.41946	0.6
69.42355	1.1
71.01250	0.2
81.96056	0.2
101.02474	0.2
106.93451	0.2
113.51422	0.2
133.91136	0.2
135.04414	0.4
139.50938	0.2
151.00348	0.2
161.02458	0.2
179.03499	0.3
191.05600	0.3
271.02628	0.2
297.40707	0.2
299.02188	0.4
315.01782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.3
57.03373	0.3
59.01267	100.0
60.01613	1.4
61.98704	0.3
65.00210	0.4
71.01275	3.4
71.58981	0.4
73.02843	1.5
74.02364	3.0
78.95797	0.5
83.01302	1.1
85.02845	1.5
87.00798	0.5
89.02340	1.8
93.03371	0.4
96.95929	0.6
97.06491	0.3
99.00799	0.4
99.04432	2.9
101.02344	3.2
102.98498	2.9
104.03435	0.3
107.01300	0.6
109.02876	0.7
110.98412	0.5
111.04433	0.3
113.02383	1.4
119.03470	0.7
120.99524	0.2
124.01551	0.3
125.02379	1.2
133.02892	0.7
134.03499	0.3
135.04480	1.1
143.03497	0.4
145.02927	0.8
151.00343	2.1
151.03940	0.3
153.01881	0.6
161.02419	1.0
161.04570	1.0
161.06096	0.4
163.00551	0.3
169.01418	0.6
173.04530	0.4
175.11363	0.3
178.99948	0.3
179.03531	0.9
179.05640	0.4
183.75279	0.2
189.05559	0.3
191.05576	1.3
215.12914	0.3
243.02882	0.3
253.14529	0.3
255.03078	0.3
261.07770	0.3
262.08542	0.3
271.02521	1.3
299.02087	1.7
300.02655	1.3
339.05261	0.3
355.17740	0.3
386.25729	0.7
415.19028	0.4
415.24124	2.7
416.26706	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	415.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02050	0.3
57.03336	1.1
58.00478	0.9
59.01264	100.0
60.01602	1.2
60.73721	0.4
69.03362	0.6
69.28477	1.0
69.28886	3.1
71.01269	19.4
72.01606	0.5
72.99201	2.2
73.02851	1.5
75.00829	0.4
83.01295	1.2
83.04939	0.4
85.02843	4.6
87.00771	2.0
89.02338	19.5
90.02682	0.4
91.01785	0.9
93.03385	1.6
93.88895	0.4
95.01287	1.1
96.95901	0.7
97.02915	0.5
97.06510	0.7
98.38893	0.3
99.00801	0.7
99.04419	4.4
101.02352	11.7
102.02654	0.4
107.07926	0.4
107.08558	2.1
113.02353	7.3
119.03419	7.9
119.08565	0.8
121.02907	1.0
125.02393	0.5
131.03484	0.7
135.04495	0.8
137.02388	1.0
143.03462	1.3
149.04550	0.7
151.03952	12.4
152.04292	0.5
159.11751	0.5
161.02484	0.5
161.04474	2.2
161.13300	7.1
161.14578	0.5
167.03488	0.8
167.19229	0.4
173.04506	0.7
173.13313	4.5
179.03467	0.5
179.05618	1.6
191.05569	3.3
191.14458	1.3
199.41533	0.4
205.12346	1.0
207.51003	0.4
217.12398	1.2
235.13414	31.8
236.13800	2.9
253.14600	1.7
254.72681	0.4
290.15787	0.5
355.17938	0.6
415.13455	0.7
415.19690	9.3
415.24719	1.4
416.20361	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32241	0.6
55.08995	0.5
59.01265	100.0
60.01610	0.6
68.00760	0.6
70.06535	3.0
86.21487	0.5
98.19864	0.6
113.50752	0.6
139.06215	0.5
179.27711	0.6
181.06580	0.6
275.86694	0.6
290.80060	0.6
368.81067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60374	0.4
56.31686	0.5
59.01266	100.0
60.01594	1.1
65.48669	0.4
71.49863	0.6
71.50191	0.5
99.04455	0.7
124.01623	1.6
206.89380	0.4
242.51277	0.4
260.73227	0.5
355.37607	0.5
413.23303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	1.5
61.98721	2.0
66.31412	0.7
69.72547	4.8
71.01270	7.3
88.03934	2.1
93.03359	9.5
99.04409	1.3
115.00294	11.4
118.02915	10.4
119.04929	0.7
121.02864	4.1
132.02957	1.4
134.03680	2.2
136.03979	100.0
137.02359	5.1
137.04323	4.5
146.06033	1.7
163.03973	3.2
164.04251	1.0
164.07127	5.0
173.04541	0.8
178.05115	0.8
190.04982	1.2
191.05629	2.3
193.05038	2.1
193.08643	1.3
208.06184	8.3
234.04169	2.5
246.29074	0.8
252.05206	14.0
396.09335	1.4
414.10553	41.1
415.10803	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	415.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.8
59.01268	100.0
60.01611	1.5
61.56850	0.4
66.33807	0.5
69.03348	1.0
71.01265	6.4
71.57056	0.9
72.99183	0.8
73.02856	1.4
78.33989	0.4
78.95827	0.5
83.04919	0.6
85.02830	3.3
87.00784	1.5
89.02345	5.6
91.01817	1.0
93.03352	4.3
96.95932	0.8
97.02869	0.6
99.00797	1.2
99.04450	2.1
101.02362	3.7
102.98488	0.8
111.04450	0.8
113.02354	2.6
119.03434	2.0
119.04971	0.8
120.99616	0.6
121.02847	1.0
134.97453	0.6
135.04456	0.9
137.02391	2.1
143.03427	0.7
147.11714	0.5
149.04584	0.7
150.40900	0.5
151.03958	16.8
152.04373	1.1
161.04561	1.4
163.04034	0.7
167.03464	1.1
170.90031	0.5
173.04555	2.0
173.13324	0.6
179.03479	0.6
191.05603	6.4
197.09749	0.6
235.13496	1.6
255.03056	0.9
270.31760	0.5
278.61075	0.6
281.06787	0.5
283.02524	1.1
307.50345	0.5
338.89172	0.5
414.65793	0.9
415.15109	0.7
415.19937	1.6
415.24521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76321	0.4
59.01265	100.0
60.01603	1.3
66.69673	0.4
69.76904	2.2
71.01283	1.2
73.02872	0.4
78.95795	5.3
80.96222	0.5
85.02850	0.5
89.02314	0.6
90.07968	0.4
96.96861	4.5
99.04427	0.5
101.02352	1.1
113.02368	0.4
117.97186	0.4
161.04395	0.4
191.05559	0.6
226.61278	0.5
233.09525	3.4
234.09833	0.8
249.09036	0.7
415.19952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1622
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.52753	0.3
55.01758	0.8
57.03337	0.9
58.00041	0.4
58.00485	2.7
59.01265	68.6
60.01599	0.6
69.03345	1.0
70.01518	0.8
70.01932	1.0
71.01271	55.4
72.01618	0.6
72.99184	3.4
73.02838	16.4
75.00767	0.7
83.01290	1.0
85.02845	7.1
87.00781	2.1
89.02340	100.0
90.02695	1.5
93.03345	1.2
95.01283	1.7
97.02840	1.3
99.00782	30.0
99.04423	1.1
100.01117	0.6
101.02350	35.2
102.02711	0.7
109.02869	1.7
113.02364	11.0
115.03948	0.7
119.03423	8.5
125.02373	4.5
131.03429	16.5
132.03737	0.6
143.03421	2.5
149.04503	58.9
150.04836	2.4
161.04495	4.0
173.04495	0.7
179.05618	2.8
183.04373	0.3
191.05592	16.5
192.05925	0.8
197.09688	0.7
201.67824	0.3
221.06628	2.1
241.08511	0.7
245.36363	0.3
246.67627	0.3
251.07756	5.0
255.03006	0.8
283.02530	1.9
283.11951	0.6
285.52164	0.4
293.08939	0.5
311.09830	0.8
361.82474	0.3
415.10657	0.7
415.16220	11.5
415.24515	0.5
416.07489	0.6
416.16559	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
57.49509	0.1
59.01263	1.4
61.98708	0.3
62.67797	0.1
68.00013	0.1
69.03326	0.3
70.29826	0.1
71.56558	0.2
81.03372	0.3
83.04897	0.2
86.49406	0.1
95.04891	0.1
97.02852	1.6
97.06503	1.2
99.04420	100.0
100.04756	3.0
101.06020	0.2
108.02107	0.1
109.02863	1.3
109.06477	0.2
111.04421	0.3
112.01529	0.2
113.02357	0.2
120.26329	0.1
121.06510	3.0
123.08084	0.5
124.01569	0.2
137.09668	1.3
145.10097	0.2
147.08089	0.3
149.06071	0.2
151.11252	0.3
159.08061	0.1
161.09686	0.4
163.07533	0.2
163.11229	0.3
177.12779	0.2
183.60696	0.2
187.07568	0.3
189.09167	0.6
191.10765	0.3
203.10771	0.5
203.14394	0.5
205.12492	0.1
208.95392	0.2
217.16092	0.1
247.13176	0.2
269.19165	1.8
270.19391	0.2
287.20349	0.2
301.18033	0.3
313.18167	6.8
314.18430	0.7
317.21378	0.5
325.25433	0.2
331.19299	0.7
351.23364	0.3
367.22824	0.2
369.24475	1.0
395.22336	1.1
413.23431	15.9
414.23779	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	413.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04142	0.8
55.77083	0.9
59.01264	5.7
71.58214	1.0
80.02564	1.2
83.01284	3.3
94.05427	0.9
99.04418	99.6
100.04765	3.2
109.74037	1.0
120.02095	2.9
121.06491	1.2
123.04416	1.2
124.01590	45.5
142.01147	0.9
147.93416	1.1
160.07672	0.9
164.04816	1.0
165.05418	1.1
178.06329	3.8
198.12384	0.8
229.15965	2.6
257.19089	1.4
269.19168	2.5
275.51544	1.1
310.08670	1.0
313.18170	100.0
314.18503	11.0
328.34073	0.8
348.63757	1.0
413.23538	12.2
414.23648	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	413.2343
Annotation	 [4aS-[4aalpha,5alpha,6beta(Z),7alpha(Z),8abeta]]- 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6,7-diyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
50.55653	0.3
59.01259	2.1
63.38420	0.3
71.58315	0.4
79.03535	0.3
80.02564	11.7
81.02910	0.4
89.02339	0.4
95.01288	0.4
99.04421	10.5
99.05072	0.6
101.32336	0.3
111.00779	0.4
124.01582	100.0
124.85179	0.3
125.01917	3.1
128.01091	0.3
152.99532	0.3
244.51369	0.3
245.19733	0.4
266.08456	0.3
313.18228	2.3
413.23416	42.4
414.23727	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	413.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.6
57.26224	0.3
59.01264	3.3
61.98714	0.8
67.45794	0.4
69.03333	1.3
69.42499	3.4
81.03339	0.4
85.02847	0.5
95.04916	0.5
97.02854	8.8
97.06485	2.8
99.04421	100.0
100.04769	2.3
103.88007	0.3
107.04951	1.5
109.02859	1.2
109.06515	0.4
120.05723	0.6
121.06519	11.2
122.03658	1.0
122.06828	0.6
123.08095	2.7
131.08565	0.6
133.06543	0.6
137.09694	0.8
147.08095	1.8
149.06076	0.5
149.09697	0.4
151.11234	2.8
152.99492	0.5
159.08163	0.5
161.09673	0.6
163.11258	0.7
177.09183	0.5
177.98875	0.3
187.07538	1.8
189.05522	0.6
189.09201	3.3
191.07118	0.7
191.10750	1.4
203.10768	2.6
215.12758	0.5
255.16025	0.5
269.19165	6.1
270.19440	0.4
287.20270	0.9
313.18170	17.4
314.18414	1.9
331.19263	1.1
334.60825	0.4
343.18982	0.4
351.23438	0.9
367.43472	0.4
369.24356	1.5
395.22354	6.7
396.22574	0.8
413.23431	40.8
414.23788	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	413.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47431	0.3
57.03052	0.3
57.03329	1.1
59.01263	2.0
60.34047	0.3
61.98717	0.4
69.03339	1.0
71.29790	0.5
71.30155	0.4
71.80245	0.3
81.03339	0.4
87.02976	0.3
89.03955	0.3
95.04918	0.6
97.02852	7.3
97.06482	2.7
99.04420	100.0
100.04750	2.4
107.04939	0.6
107.79890	0.3
108.79279	0.3
109.02861	0.9
109.06465	0.4
111.04433	0.5
120.05753	0.6
120.72543	0.3
121.06515	14.1
122.03677	1.7
122.06835	0.8
123.08061	2.7
124.01646	0.7
131.08603	0.7
133.06512	0.9
135.08078	0.7
137.09657	1.3
145.10220	0.8
147.08087	1.5
149.06036	0.4
149.09662	0.7
151.11229	1.4
161.09679	1.0
163.11217	1.0
171.10161	0.6
173.26631	0.3
175.07719	0.3
178.70737	0.3
187.07626	2.8
189.05554	0.4
189.09186	5.1
191.10803	1.8
203.10808	2.0
204.11110	0.3
205.12297	0.7
215.91248	0.3
229.12372	0.5
241.16133	0.4
269.19171	8.2
269.21994	0.7
270.19467	0.8
277.21671	0.6
287.20184	1.0
295.22858	1.2
313.18164	27.7
314.18576	2.7
331.19168	2.1
351.23221	1.2
369.24481	1.3
395.22345	7.4
396.22537	1.1
413.23419	39.7
414.23718	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.1
59.01266	15.6
61.98719	4.7
69.03349	1.2
71.25632	2.0
73.83947	0.9
78.95762	1.1
80.91580	6.0
83.04937	1.3
85.02870	1.4
89.02360	1.0
96.77005	0.9
97.02855	30.5
99.04414	2.9
109.02855	1.3
117.38624	0.9
122.03627	2.3
124.01575	2.6
127.07568	12.1
135.04414	1.2
146.92798	1.0
157.11115	0.9
161.02379	2.1
161.09718	1.5
165.05551	2.0
189.12851	13.0
191.05553	1.4
191.07117	5.9
195.73637	0.9
203.14461	3.1
205.08667	10.3
206.09180	1.1
207.10234	4.0
212.25407	0.9
216.97865	1.0
216.99933	1.0
217.08388	1.0
245.07953	1.4
269.19125	5.5
281.15741	1.0
283.17065	5.5
287.20328	2.3
313.14462	2.3
313.18167	49.4
314.18469	7.1
331.19223	100.0
332.19556	13.0
353.17441	24.1
354.17859	2.7
392.61090	0.9
413.19412	26.2
414.19852	3.6
433.79239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85045	7.6
57.03327	9.1
59.01270	100.0
61.98708	18.3
62.15140	7.1
71.56704	8.7
72.60371	6.3
78.95768	9.7
85.02849	6.6
99.04441	49.1
133.02974	10.2
135.04483	13.5
137.50456	6.6
161.02417	11.1
287.20154	6.6
304.60229	8.6
313.18335	9.7
321.22662	6.4
413.23398	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78880	0.2
52.01379	0.2
53.02498	0.1
55.01774	0.8
57.03340	1.2
58.00481	0.3
59.01266	100.0
60.01601	1.0
69.03329	0.2
71.01270	9.5
71.59197	0.2
71.59602	0.2
72.01600	0.2
72.99213	0.4
73.02837	3.1
75.00784	0.2
78.95800	0.4
81.43354	0.1
82.93925	0.1
83.01280	1.5
85.02847	5.1
87.00791	0.4
89.02337	1.8
93.03393	0.2
95.01302	0.8
96.95941	0.2
96.96869	0.2
97.02881	0.3
99.00786	1.2
101.02347	6.5
102.98521	0.2
111.00771	0.3
113.02353	4.1
119.03442	0.5
125.02386	0.3
137.02388	0.2
137.09679	0.4
143.03476	0.6
153.43576	0.1
159.02974	0.4
161.02417	0.4
161.04497	3.5
179.05656	0.1
191.05594	0.4
199.13391	0.2
209.15454	1.7
233.09503	0.2
241.11742	0.1
299.26578	0.2
353.19785	3.0
354.20190	0.4
371.20816	11.7
372.21103	1.4
413.12714	0.4
413.21930	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.8
57.03338	0.7
58.19722	0.2
59.01266	100.0
60.01608	0.8
69.03342	0.4
69.40807	0.2
71.01270	9.0
72.13590	0.2
72.99210	0.5
73.02839	2.9
74.02351	0.2
81.05522	0.2
83.01275	1.6
85.02843	4.3
87.00797	0.7
89.02330	2.0
93.03362	0.7
95.01297	0.6
97.02863	0.4
98.20549	0.6
99.00765	1.1
101.02351	6.0
113.02361	3.2
119.03423	0.4
119.04977	0.5
137.02368	0.6
143.03407	0.5
159.02971	0.6
161.04535	3.3
164.99425	0.3
181.70476	0.2
191.05627	0.5
209.15457	1.8
225.11377	0.5
227.84053	0.3
285.45471	0.3
298.70166	0.2
353.19815	2.7
354.19739	0.3
357.20721	0.2
371.20801	11.6
372.21161	1.3
412.69818	0.3
413.09229	0.3
413.22418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00082	0.3
59.01265	100.0
60.01603	1.1
67.49971	0.2
69.31404	2.1
70.11905	0.2
71.01269	0.7
85.02875	0.4
87.00743	0.2
93.03342	0.4
99.00759	0.3
101.02373	0.3
123.04465	0.2
124.13952	0.2
132.04205	0.2
133.02911	0.7
134.03650	0.5
135.04457	1.0
137.02386	0.3
153.05537	0.4
161.02403	1.6
173.04526	0.5
179.03523	0.9
191.05565	0.3
193.05101	0.3
222.85503	0.2
243.03145	0.5
255.02965	0.3
271.02481	1.8
288.23395	0.2
299.02097	1.5
300.02798	1.6
301.03583	0.2
305.65732	0.3
318.09933	0.2
349.09406	0.3
413.21805	0.3
427.04984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18140	0.3
59.01267	100.0
60.01603	0.8
71.01288	1.1
73.02855	0.6
74.04269	0.2
76.90029	0.2
80.10859	0.3
85.02867	0.3
89.02383	0.5
93.03384	0.6
101.02380	0.8
109.02848	0.2
112.76453	0.2
113.02363	0.5
115.00342	0.3
119.04942	0.3
123.08103	0.3
133.01385	1.1
137.02406	0.5
138.22780	0.3
148.16325	0.2
155.34154	0.3
161.04546	0.3
163.03996	0.3
179.03523	0.4
191.05585	0.4
194.05806	0.4
209.08258	0.6
218.35547	0.2
284.05618	0.3
413.22070	0.4
420.63742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01604	1.5
61.98714	0.2
69.41486	0.7
69.41914	0.8
71.01275	0.7
73.02864	0.2
79.18421	0.1
82.54864	0.1
83.91924	0.2
85.02846	0.2
87.00767	0.2
101.02377	0.4
106.86371	0.2
109.02829	0.2
113.02349	0.2
119.48267	0.2
132.25401	0.2
133.02919	0.3
134.03694	0.4
134.66283	0.1
135.04494	0.5
137.02411	0.3
150.46169	0.2
161.02409	0.4
173.04492	0.3
179.03481	0.3
193.05150	0.3
194.94374	0.2
196.92763	0.2
199.04156	0.2
243.03072	0.3
255.03131	0.3
263.35760	0.2
271.02512	1.3
280.84375	0.2
299.02112	1.0
300.02786	1.1
399.45389	0.2
413.16797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06855	0.2
55.14424	0.2
58.00470	0.3
59.01266	6.8
71.01270	3.6
71.59517	0.2
72.99201	0.8
73.02847	0.3
75.86029	0.2
77.85885	0.1
78.95796	100.0
80.34271	0.2
83.43639	0.2
85.02848	1.5
87.00769	0.6
89.02341	2.5
93.03357	0.8
95.01288	0.3
96.96865	48.5
99.00795	0.2
101.02345	2.0
113.02348	0.9
119.03402	0.6
119.04968	0.2
122.34097	0.2
129.01865	0.3
134.03618	0.5
135.04453	0.3
135.82428	0.2
137.02420	0.4
147.04407	0.2
161.79794	0.2
173.04524	0.6
176.04718	0.2
177.05508	0.3
179.03442	0.3
191.05582	5.3
192.05930	0.5
193.05014	0.7
209.08139	0.4
222.04211	0.2
233.09512	2.1
235.06212	0.2
238.07216	0.4
239.07677	0.2
251.10555	0.7
309.09924	0.2
413.15906	88.7
414.11386	0.4
414.16238	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	413.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03768	1.0
57.71451	1.0
59.01263	14.0
71.01282	8.1
71.55223	2.2
73.02836	1.7
78.95796	83.6
83.01290	1.5
85.02847	3.3
87.00742	2.1
89.02351	3.7
93.03329	1.1
96.96864	38.2
96.97481	2.1
99.00778	1.5
101.02352	8.0
113.02365	2.4
115.52180	1.0
117.74065	1.3
119.03374	1.1
129.01817	0.9
134.03650	3.2
149.05991	1.4
161.04524	2.4
168.06345	1.0
176.01105	7.9
178.02699	1.6
191.03482	11.1
191.05548	5.0
191.07109	1.7
193.05122	5.2
235.06125	1.3
235.11880	7.4
251.10585	1.6
293.12076	1.2
306.78281	1.1
367.16211	21.9
368.16684	1.6
413.15918	100.0
414.16284	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	413.159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.5
65.99711	0.4
69.37627	1.0
69.38034	3.5
71.01264	0.8
78.95798	55.0
79.79119	0.4
85.02835	0.6
89.02287	0.8
93.03310	0.4
96.96866	48.0
101.02323	0.5
105.77365	0.4
109.03954	0.6
113.02364	0.5
134.03625	0.4
179.05641	0.5
233.09505	100.0
233.95082	0.4
234.09831	6.1
249.09039	0.5
272.10550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08850	0.2
51.82495	0.2
59.01269	2.3
60.89723	0.2
65.00209	0.4
65.42881	0.2
70.55376	0.6
71.01273	0.4
71.60148	0.2
78.95788	0.3
83.01313	0.2
85.02848	0.2
87.45554	0.2
89.02351	0.3
93.03358	0.7
95.01276	0.2
97.02862	0.4
99.00798	0.2
101.02348	0.3
102.98533	0.2
111.04443	3.6
112.04761	0.2
113.02367	0.2
117.01804	0.2
123.00784	0.5
124.01579	3.6
125.01978	0.3
126.83607	0.2
137.02377	0.8
139.03925	1.6
147.73303	0.2
152.01097	21.3
153.01422	0.9
161.02365	0.5
165.01892	1.7
166.02556	0.4
166.06230	0.3
176.04750	1.3
177.05515	0.6
179.03442	0.6
191.07104	0.6
194.05830	18.4
195.06172	0.7
205.08720	0.2
209.08188	100.0
210.08504	6.8
226.04765	0.2
285.03857	0.2
305.93442	0.2
321.12830	0.2
342.86389	0.2
375.20282	0.6
394.44196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33678	0.7
57.03336	95.2
58.03679	1.5
59.01263	87.1
59.21273	0.6
61.98721	5.8
67.25019	0.6
69.42972	5.1
71.01267	13.2
72.99207	0.9
73.02822	4.8
78.95796	2.4
81.03329	1.5
83.01276	2.4
85.02852	5.9
87.00779	0.9
89.02318	1.7
90.44022	0.6
93.03347	3.6
95.01284	1.1
99.00777	1.7
99.04416	100.0
100.04739	2.3
101.02341	25.8
101.03014	1.2
113.02345	4.2
118.97551	0.6
125.02364	40.0
126.02699	1.2
133.89682	0.6
137.02357	3.2
143.03416	3.2
151.00293	0.7
152.99535	3.2
159.02983	1.4
160.77399	0.6
161.04489	6.2
178.99727	0.7
191.05499	1.4
194.02614	0.6
236.39883	0.7
264.72360	0.7
269.07504	0.9
269.10355	16.1
270.10461	1.3
272.02863	0.8
291.79007	0.7
300.02490	0.9
301.03040	1.0
311.11380	3.7
332.04855	1.3
350.06030	0.8
351.14435	0.7
413.14783	3.1
428.01523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.5
57.03339	100.0
58.03669	1.8
59.01266	81.5
60.01589	1.1
63.35687	0.6
69.92615	2.6
71.01275	16.9
72.99224	0.8
73.02837	6.1
78.95795	33.0
81.03356	1.4
83.01283	3.4
85.02843	9.8
87.00779	1.7
89.02327	1.0
93.03355	3.2
95.01270	1.3
96.96864	28.8
98.19794	1.1
99.00774	2.5
99.04421	68.3
100.04765	1.7
101.02349	27.4
113.01644	0.7
113.02364	8.1
119.04889	0.7
125.02370	24.1
126.02694	1.0
137.02382	3.8
143.03398	3.1
159.02965	1.7
161.03384	0.7
161.04507	8.0
233.09503	40.7
234.09653	2.5
260.11987	0.6
264.96414	0.7
269.10373	19.8
270.10559	1.0
297.79767	0.6
311.11188	2.7
351.14444	1.2
372.12033	0.7
413.14084	2.2
414.14987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
57.03326	4.8
59.00990	2.1
59.01266	29.5
60.18959	1.1
65.30046	1.4
67.01755	1.3
68.99718	2.4
69.03341	3.1
69.79758	2.2
69.80169	6.2
71.00896	2.4
71.01273	39.3
72.99197	7.6
73.02858	2.4
75.00764	24.7
83.01276	2.3
85.02851	36.7
87.00771	17.3
89.02342	11.5
91.03922	1.7
93.03357	2.6
95.01294	8.3
99.00776	17.7
103.00253	3.7
111.00814	1.5
112.01603	1.4
113.02361	45.6
115.00269	4.0
117.01856	3.8
117.03372	7.8
119.04948	70.2
120.05286	4.4
129.01881	3.3
131.03456	2.1
145.02888	30.5
157.01350	1.6
163.03967	48.4
164.04330	2.3
175.02463	1.9
189.04144	1.5
191.05588	2.4
207.05063	3.0
231.05203	1.4
237.07703	3.6
249.06201	24.8
250.06519	1.6
267.07275	100.0
268.07581	7.1
413.11023	50.4
414.11423	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	413.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.5
57.03336	2.6
59.00993	1.8
59.01266	19.3
66.03303	1.4
69.03333	2.0
71.01270	26.1
71.15569	1.5
71.15895	2.1
72.99200	5.3
73.01256	1.2
75.00770	17.5
85.02843	28.3
87.00770	10.4
89.02343	8.4
93.03360	1.6
95.01293	5.2
99.00784	13.8
101.02377	1.6
103.00277	2.3
113.01624	2.5
113.02364	39.5
114.02687	1.3
115.00304	1.7
117.01908	2.7
117.03368	4.9
119.04951	50.2
120.05287	4.1
129.01889	3.4
130.99734	1.2
142.43788	1.3
145.02887	21.9
163.03957	44.1
164.04355	1.4
175.02461	3.0
214.80707	1.3
224.33197	1.2
237.07715	3.9
249.06215	24.1
249.08551	1.9
250.06403	1.7
267.07278	100.0
268.07626	5.8
413.10992	45.8
414.11285	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	413.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29518	0.6
55.01773	0.7
57.03305	2.6
59.01267	16.1
62.59764	0.6
68.99691	1.8
69.03298	1.8
69.46452	3.5
69.46867	2.2
71.01268	20.9
72.99197	4.9
73.02812	1.6
75.00766	16.8
78.95380	0.9
78.95790	10.6
81.51314	0.6
83.01250	1.0
85.02841	25.9
85.29159	0.6
86.03114	0.8
87.00770	11.5
89.02334	7.2
91.03873	1.0
93.03322	1.3
93.76466	0.5
95.01299	6.2
96.96853	5.0
99.00181	0.8
99.00784	12.4
99.04458	0.6
99.27023	0.6
100.51034	0.6
101.02324	1.7
103.00231	2.7
109.02859	0.7
111.00712	1.0
112.01572	1.0
113.02358	38.6
115.00246	1.5
117.01860	4.0
117.03340	2.0
119.04942	47.3
120.05235	1.8
127.03867	0.8
129.01825	2.3
135.04410	0.6
138.84154	0.7
143.54240	0.6
145.02893	18.9
146.03224	1.1
149.04468	0.8
157.01369	1.6
163.03952	45.8
164.04271	2.2
175.02431	1.7
179.99576	0.6
191.05612	0.8
207.05096	1.5
231.00922	0.6
231.05183	1.1
237.07623	3.6
249.06198	22.2
250.06593	1.2
267.07260	100.0
268.07590	4.2
361.70166	0.7
377.91541	0.6
395.09561	0.9
413.11014	35.3
413.15988	6.8
414.11380	3.2
414.16183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.0
60.01611	0.4
61.01699	0.7
61.98717	100.0
69.53419	0.3
69.65042	2.5
71.01265	2.0
72.01634	0.3
72.23843	0.3
72.99200	0.4
78.95800	1.0
85.02874	0.5
88.82322	0.3
89.02356	1.5
94.35091	0.3
101.02375	0.9
104.98733	0.3
113.02355	0.4
133.56676	0.3
137.02419	0.4
161.04544	0.3
179.05696	0.3
181.06104	0.3
193.84650	0.3
333.68188	0.3
351.18875	0.5
352.19638	2.0
375.00266	0.4
397.89630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	4.1
61.98717	100.0
64.55604	0.2
70.50455	1.0
70.50816	0.3
71.01284	0.7
71.60660	0.2
79.80013	0.3
84.12999	0.2
85.02841	0.4
96.14645	0.2
229.46896	0.2
250.15384	0.5
268.68378	0.2
306.79843	0.2
412.20615	6.3
413.21301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
60.62149	0.1
61.98719	100.0
62.05742	0.1
62.98414	0.2
118.14986	0.1
119.17473	0.1
128.45996	0.1
129.09731	0.1
140.09293	0.1
227.97226	0.1
320.95670	0.1
413.23044	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79051	0.7
55.01774	0.9
55.04296	0.6
57.03335	2.3
58.00471	0.9
59.01268	19.0
69.03342	0.8
70.73600	0.7
71.01276	22.0
71.61959	0.9
72.99203	6.3
73.02834	2.5
74.59210	0.8
75.00764	10.6
78.95801	27.8
81.46693	0.7
83.01271	1.3
83.39246	0.7
85.02853	22.1
87.00780	8.6
89.02345	6.8
91.48573	0.6
93.03365	1.5
95.01294	4.6
96.96861	11.3
99.00797	8.3
101.02348	2.7
103.00283	2.7
113.02361	33.2
114.02686	1.4
115.00268	1.7
117.01878	2.1
117.03347	4.4
119.04945	21.5
129.01884	3.8
131.03416	0.9
134.03645	2.0
145.01819	1.5
145.02892	18.5
146.03212	0.8
157.01318	0.9
163.03958	22.5
175.02504	1.8
175.03961	0.8
176.01138	7.2
191.03477	7.4
191.05606	6.5
193.03508	1.0
193.05045	2.9
200.64977	0.7
207.05098	2.1
209.39731	0.8
235.11937	0.7
237.07730	2.7
249.06209	8.2
250.06688	0.8
267.07285	100.0
268.07605	5.5
272.92392	0.7
367.16095	2.5
413.10934	29.9
413.15988	21.9
414.11221	3.2
414.16165	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24184	0.3
59.01266	100.0
60.01597	0.8
67.47211	0.3
70.15225	0.6
70.15588	1.2
80.44186	0.3
82.42286	0.3
98.20459	0.4
119.19160	0.3
127.68449	0.3
151.27924	0.3
243.02896	0.3
248.61775	0.3
411.31107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	100.0
60.01601	1.1
70.94621	0.6
70.94957	1.1
78.95800	0.7
91.33485	0.4
135.05745	0.5
152.99611	1.2
163.90645	0.5
236.69101	0.5
259.64929	0.7
274.38312	0.5
415.03906	0.5
432.72806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59547	0.8
57.03334	3.5
59.01273	1.3
69.24728	8.5
69.25133	1.7
74.52302	0.9
76.88861	0.9
98.20567	2.3
141.12779	9.3
152.30020	1.0
196.77617	1.0
201.51402	1.0
208.54346	0.8
223.20581	1.0
240.43469	1.1
249.22157	2.0
268.12054	1.1
269.21292	22.3
270.21756	1.6
279.23407	3.4
283.22836	22.2
284.23215	2.0
297.24466	2.8
311.25916	1.0
356.67615	1.0
393.33841	100.0
394.34186	14.6
411.34778	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	412.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10175	0.9
57.03321	1.0
59.01262	9.5
61.98714	100.0
65.00223	2.0
65.76462	0.9
69.53246	5.7
71.01266	4.0
72.99222	0.8
78.95797	23.3
83.01275	1.5
85.02828	1.5
89.02348	0.9
93.03343	3.7
96.95887	2.7
96.96873	2.2
101.02307	1.4
107.01292	2.9
109.02892	1.1
115.00175	0.9
133.02846	1.7
135.04451	1.0
136.01572	1.8
137.02338	4.8
146.02356	0.8
150.97935	0.9
151.00302	12.6
152.99513	31.6
161.02420	2.0
163.03961	2.2
167.03531	0.8
169.01401	1.4
171.00604	1.3
178.99805	8.5
179.03494	1.5
191.05600	4.0
199.03951	1.1
209.12018	1.0
216.44911	0.7
227.03456	1.2
243.02957	1.2
255.03094	1.6
267.07349	1.1
271.02551	17.6
272.03036	2.3
273.04102	1.1
299.02039	9.1
300.02756	13.4
301.03500	4.7
331.04648	31.8
332.05020	3.2
349.05667	18.4
350.06235	1.0
381.13351	5.8
412.14774	1.6
412.21124	1.4
413.10757	1.6
413.15698	4.1
417.87607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2033
Annotation	CHEBI:69892
Peak:m/z	Relative Intensity
55.01789	0.8
56.34578	0.5
57.03331	0.9
58.00482	2.4
59.01267	47.7
60.01610	0.8
60.85263	0.5
61.98721	5.9
67.01795	0.6
69.03307	0.5
70.36334	1.9
71.01274	30.8
72.99190	3.5
73.02860	1.3
75.00771	1.3
77.11288	0.4
81.03429	0.5
83.01292	0.9
85.02854	6.7
87.00777	2.8
89.02342	35.0
90.02678	0.8
95.01307	2.6
99.00792	1.9
101.02357	14.7
105.03359	0.8
113.02356	12.8
119.03432	12.9
131.03433	1.2
133.02887	2.3
143.03497	3.0
143.04518	0.6
149.04456	0.8
161.04514	3.0
163.58083	0.4
176.01181	0.6
177.01904	24.8
178.02266	1.5
179.05580	8.2
185.13354	1.6
191.05629	1.0
201.12727	0.6
218.30966	0.5
231.13928	100.0
232.14282	9.9
233.15572	2.8
249.06258	0.8
249.14905	1.0
266.58008	0.5
267.07245	1.1
291.16190	0.6
375.21518	0.6
411.13266	1.1
411.20325	22.7
411.63211	0.6
412.20493	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	411.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.9
56.06035	0.6
57.03337	1.0
58.00474	0.9
59.01265	100.0
60.01606	1.7
61.98735	1.3
69.47775	1.9
69.48207	2.9
71.01270	25.0
72.99208	1.3
73.02834	28.2
74.03230	0.5
74.87444	0.6
75.00777	0.6
78.95808	2.0
83.01280	7.6
85.02844	5.0
85.75013	0.5
87.00771	1.2
89.02335	9.4
93.03368	0.9
95.01292	1.6
96.95918	7.8
96.96848	1.2
97.02855	0.7
101.02345	25.1
110.38126	0.5
113.02358	10.8
119.03440	3.6
121.06512	0.9
122.02441	0.5
125.02321	0.6
131.03435	1.8
137.09644	8.7
138.09993	0.9
139.63924	0.5
143.03438	1.6
149.04480	1.4
152.51624	0.5
155.03444	0.8
161.04497	5.8
173.04535	0.7
189.12888	2.1
191.05609	1.0
203.05573	0.8
267.07516	0.8
317.46918	0.6
411.14972	1.1
411.20859	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	411.2398
Annotation	Rhodomollein XIII
Peak:m/z	Relative Intensity
57.03332	1.3
59.01266	31.9
61.97815	0.6
61.98725	1.3
69.05615	0.6
71.01265	4.1
72.02045	2.1
73.02834	2.9
82.52759	0.7
83.04915	2.2
84.56581	0.6
85.02856	1.5
87.04432	3.7
89.02342	1.6
96.95918	26.9
97.02870	3.9
97.06487	1.0
101.02338	1.4
109.02854	1.5
114.07191	0.7
119.03404	0.7
123.08030	1.1
133.02911	3.2
135.04457	1.3
138.44652	0.7
141.25073	0.6
161.02415	10.8
162.02777	0.9
179.03447	1.2
185.58786	0.6
189.12903	1.1
191.05531	2.0
211.13428	0.9
233.15489	6.9
249.14876	1.3
271.20804	0.8
273.18646	0.9
289.18472	1.2
289.21768	2.3
299.16434	1.4
307.22644	1.0
315.19666	2.8
333.20792	11.2
334.21100	1.6
349.20297	0.8
351.21844	100.0
352.22183	12.2
352.26376	0.8
383.44064	0.8
411.18454	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	410.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.1
61.98719	100.0
69.43491	0.4
69.43901	1.1
74.22423	0.2
79.78191	0.2
98.20589	0.3
112.68289	0.2
114.28333	0.2
120.67831	0.2
135.52115	0.2
155.61307	0.2
240.14145	0.2
350.20755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.2
61.98718	100.0
71.01272	0.5
71.57602	0.9
73.78782	0.4
74.76315	0.4
78.95816	1.3
82.09668	0.4
86.64137	0.4
87.00782	1.2
89.02348	0.6
91.78689	0.4
110.49329	0.4
111.00784	4.5
111.01394	0.5
134.25774	0.4
136.78290	0.5
149.48509	0.5
173.00848	0.5
191.05574	0.6
244.31633	0.5
351.21808	0.8
382.36240	0.5
410.19742	0.7
411.20511	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.2
63.96864	0.2
66.60339	0.2
70.36293	0.4
70.36690	0.4
78.04602	0.2
93.03361	0.2
95.01249	0.3
121.02872	100.0
122.03211	3.9
123.00819	0.5
167.82593	0.2
216.97238	0.2
289.03607	1.9
380.44366	0.2
411.07141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1437
Annotation	Viscosol
Peak:m/z	Relative Intensity
59.01269	7.9
59.88965	0.3
60.99149	0.3
62.96312	0.4
71.01276	5.1
71.37049	0.6
72.99210	0.9
73.02831	0.5
75.41527	0.3
78.95799	100.0
79.90347	0.3
79.95625	0.3
83.01275	0.5
85.02846	1.3
87.00755	0.4
87.51324	0.3
89.02353	3.3
95.95122	0.4
96.96869	50.7
99.00784	0.4
101.02354	2.9
113.02373	1.7
119.03432	0.9
119.05026	0.4
139.04036	0.3
173.04584	0.4
191.05576	1.3
233.09508	1.2
236.63737	0.3
249.09056	1.1
279.14664	0.5
323.55133	0.4
349.09567	0.4
411.14365	97.9
412.14740	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	411.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	12.1
66.90961	0.7
70.74967	2.5
71.01271	7.3
72.99208	1.7
78.95799	100.0
85.02850	2.1
87.00768	0.8
89.02335	6.0
96.95974	3.3
96.96867	61.7
101.02359	6.3
106.18052	0.7
113.02367	3.0
115.91983	1.0
119.03379	1.1
131.77238	0.8
161.04555	1.0
191.05595	1.3
233.09451	2.1
237.61108	1.1
249.09044	2.9
251.05540	0.8
279.14612	1.5
291.38312	0.7
411.14340	95.1
412.14639	9.5
412.19281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11156	0.6
57.03337	1.0
59.01270	21.0
61.98708	1.2
69.03340	0.7
71.01272	4.6
73.02828	1.9
83.04914	1.0
85.02848	2.2
87.00779	1.8
87.04411	1.6
89.02354	1.6
93.03358	2.6
96.95883	1.0
97.02844	1.3
97.06515	1.5
99.00796	0.5
101.02366	1.9
109.02874	1.0
111.04381	0.6
113.02379	1.8
119.03387	0.9
119.04903	1.4
133.02870	0.9
134.03743	2.8
135.04454	1.8
145.02896	1.5
161.02321	0.9
163.03925	0.9
173.04518	3.1
176.04010	0.7
177.01917	0.8
178.02690	1.6
179.03438	1.4
183.13914	6.3
191.05591	11.1
192.05922	1.6
195.13889	6.7
196.14301	0.5
197.02251	2.8
213.14967	100.0
214.15314	7.9
233.15472	2.3
244.08441	0.7
249.15007	1.4
261.18777	0.8
275.09311	0.9
293.10394	0.8
315.19839	1.1
333.20676	4.1
337.09589	0.6
351.21844	39.0
352.22171	5.9
410.61038	0.7
411.17889	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	409.237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93338	0.2
59.01265	0.7
59.62151	0.2
62.96268	0.2
72.88762	0.2
78.95794	56.4
96.96864	6.2
105.72472	0.2
110.98426	0.3
128.06197	0.2
150.97963	1.7
152.99525	100.0
153.99866	1.7
167.01019	0.2
171.00604	3.3
188.09242	0.2
220.15060	0.2
229.53467	0.3
241.21765	1.7
255.23331	1.6
306.79865	0.2
349.18607	0.3
409.23685	14.0
410.24014	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	409.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90722	0.3
59.01266	1.2
69.69119	0.5
69.69537	1.2
78.95796	64.9
81.83274	0.2
82.73625	0.3
83.72913	0.3
96.96864	6.0
117.99187	0.2
150.97932	1.4
152.99529	100.0
153.99809	1.7
171.00591	2.6
196.60979	0.3
255.23254	1.8
256.23608	0.4
291.75720	0.3
409.23694	18.2
410.24020	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	409.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99976	0.2
59.01251	0.8
69.05234	0.2
69.33271	0.9
69.33695	1.0
96.50317	0.2
152.99515	0.3
165.12814	0.2
177.12811	0.5
183.13881	18.6
184.14198	1.1
195.13882	24.9
196.14285	1.5
211.13354	0.6
213.14957	100.0
214.15300	6.4
409.29684	13.9
410.30035	2.1
433.58615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	5.1
59.18177	0.8
65.99731	1.5
67.01782	1.8
71.01276	2.2
71.54309	1.4
72.99198	33.3
73.99567	0.9
77.62782	0.8
78.95819	1.4
83.04935	1.1
85.02845	8.8
87.00767	7.4
93.03367	16.0
98.02372	1.1
99.47496	0.8
101.02361	1.2
108.76794	0.8
109.02866	1.4
111.04441	1.6
121.02882	2.4
123.04419	1.6
125.02390	1.6
127.03925	2.4
133.02884	2.5
134.03676	1.2
135.04456	14.0
137.02425	4.4
145.02956	1.0
147.04437	5.7
151.03960	1.8
155.03426	1.5
162.05551	8.1
165.05519	3.6
173.02390	2.6
173.04512	15.2
174.01941	1.8
174.05637	4.7
175.03952	1.2
176.03516	2.3
179.03622	1.1
182.31027	0.9
191.05592	100.0
192.03142	1.1
192.06026	3.1
200.03481	5.9
218.00989	2.6
218.04576	13.0
219.02966	1.9
219.04906	1.0
236.05656	26.3
237.06091	1.5
247.04645	1.7
351.07181	1.0
392.09848	5.5
410.11057	32.4
411.11191	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	410.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.9
59.01268	6.7
65.43140	0.6
67.01780	2.6
71.01270	3.5
71.59762	0.8
72.99203	17.8
73.02822	0.9
78.95802	2.4
81.03360	1.5
83.04916	1.3
85.02834	7.4
87.00779	8.4
93.03362	20.6
94.03707	1.1
95.04916	0.8
96.95921	0.9
96.96874	1.6
101.02392	1.1
109.02852	1.7
111.04431	3.0
113.02417	0.7
117.03388	1.4
119.04926	7.6
120.05300	0.7
121.02870	1.4
123.04440	3.0
125.02371	1.8
127.03924	2.3
129.01872	1.0
132.04427	0.8
133.02899	1.6
135.04445	8.0
137.02365	2.3
137.06030	1.0
145.02914	4.3
146.06087	1.9
147.04462	4.6
148.03957	1.9
151.03896	1.1
153.01894	1.9
155.03471	2.0
156.04539	0.9
160.04028	2.3
161.04553	0.8
162.05594	3.1
163.03957	6.4
164.07112	1.3
165.05554	1.8
165.37671	0.7
171.02942	1.8
173.02361	1.6
173.04501	15.1
174.05629	4.5
190.04947	0.7
191.05588	100.0
192.05804	3.3
200.03470	3.7
207.05132	0.7
210.04274	0.6
210.06758	0.9
218.04601	11.0
219.04930	1.6
223.07765	1.0
230.06854	1.0
236.05666	23.3
237.06099	2.2
247.04662	0.9
251.10410	0.7
272.07846	1.5
317.73242	0.7
319.08423	2.4
327.08829	1.9
337.09229	4.2
349.18674	0.8
350.19113	1.3
392.10098	1.7
410.11044	21.9
410.61807	0.6
411.10880	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2241
Annotation	15-Epileopersin C
Peak:m/z	Relative Intensity
52.25951	0.5
59.01267	100.0
60.01603	1.5
61.98726	1.2
70.12003	2.3
71.01292	1.2
75.00776	1.1
78.95824	0.7
80.34496	0.5
80.96425	0.6
85.02855	1.5
93.03374	1.2
97.02844	1.4
97.06517	0.5
98.20461	0.6
99.04427	1.2
109.02845	0.6
111.04456	0.7
119.04943	0.6
121.06520	1.2
123.08092	0.9
135.04477	1.5
136.04869	0.5
136.20772	0.6
152.99583	0.7
153.09302	0.6
173.04582	0.5
189.09196	0.9
191.05672	1.5
191.10812	1.0
193.97540	0.6
266.91046	0.5
269.19119	0.5
287.16733	1.0
287.20117	0.7
291.19867	1.1
305.17578	0.9
313.18140	7.0
313.20996	0.6
314.18640	0.7
321.20737	4.4
331.19077	4.0
333.20856	0.7
349.20313	6.8
350.20453	0.8
365.24994	0.8
409.23602	0.7
410.23593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.8
62.96270	0.3
69.45980	2.3
71.01270	0.3
78.95793	68.4
96.96856	5.4
98.20554	0.3
150.97961	1.7
152.99524	100.0
153.99844	1.9
171.00601	2.8
174.40919	0.3
177.66769	0.3
255.23323	2.3
307.59613	0.3
409.23672	18.2
410.24048	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	409.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72064	0.7
55.01781	0.7
56.35109	0.6
57.03341	1.5
58.00476	1.3
58.61725	0.6
59.01265	100.0
60.01585	1.0
61.98717	0.9
71.01269	27.0
71.42764	1.2
72.15933	0.6
72.99196	1.3
73.02841	4.0
75.00732	0.9
83.01305	2.1
85.02847	6.3
87.00795	1.7
89.02335	28.9
95.01298	1.6
96.00919	0.6
99.00800	1.6
99.04431	0.9
101.00534	0.5
101.02345	18.7
101.03006	1.0
113.02361	12.1
119.03417	14.1
125.02404	1.0
131.03397	1.2
134.86758	0.6
143.03479	3.6
149.04518	1.3
159.02930	1.4
161.04495	14.4
165.05513	0.6
179.05568	12.3
180.05888	1.2
187.13388	5.6
191.05684	1.1
201.03998	0.7
342.18823	0.7
349.18747	60.9
350.19116	5.6
400.30389	0.7
409.20459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.4
57.03328	1.6
57.10809	0.7
58.00470	2.4
59.01266	83.2
60.01589	0.9
71.01273	41.5
72.01639	1.0
72.99198	10.6
73.02844	8.7
75.00767	0.9
83.01281	4.6
84.00142	0.7
85.02844	14.7
87.00768	2.7
89.02337	32.9
93.03373	3.7
95.01283	3.1
97.99570	0.8
98.19733	1.2
99.00777	3.4
101.02346	35.0
110.78122	0.7
113.01624	1.5
113.02356	18.2
114.02645	1.3
119.03419	13.1
119.04804	0.9
120.08067	0.8
120.72074	0.7
127.49899	0.7
131.03430	1.5
133.02855	1.1
135.04454	4.8
143.03456	4.6
145.02870	1.8
149.04485	1.0
159.02917	3.1
161.02408	1.7
161.04510	26.5
162.04887	1.0
162.75833	0.7
163.03961	1.8
163.79982	0.8
173.04526	7.0
178.31633	0.9
179.03465	2.2
179.05551	8.9
187.13336	5.8
191.05550	5.1
247.04573	5.7
248.04836	0.9
277.66998	0.8
335.07712	1.1
337.09253	1.0
349.18744	100.0
350.19016	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	409.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24741	0.9
50.97322	0.9
51.71016	0.9
55.01762	1.4
57.03334	3.3
58.13161	0.9
59.01264	100.0
60.01608	1.8
60.75872	1.0
61.98714	3.5
70.78242	2.5
71.01267	33.0
72.99190	2.9
73.02836	5.5
78.95800	2.7
83.01282	3.4
85.02840	12.1
87.00780	3.4
87.04406	1.2
89.02335	24.3
93.03374	1.3
95.01292	1.6
97.02845	1.3
99.00791	2.5
99.04443	2.6
101.02347	22.6
102.02719	1.1
113.02361	13.4
119.03397	9.0
119.04958	1.7
125.02333	1.7
129.01904	2.4
143.03477	3.0
145.02916	3.8
146.03250	1.2
147.03392	1.1
159.02974	1.6
161.04515	15.8
167.30133	1.3
179.05574	3.5
187.13382	6.8
191.05608	2.9
205.03491	1.1
249.08984	2.2
349.18729	65.8
350.19016	7.6
409.11267	1.4
409.21735	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2242
Annotation	15-Epileopersin C
Peak:m/z	Relative Intensity
59.01267	100.0
60.01599	1.2
61.98734	0.7
66.58309	0.2
69.03348	0.2
70.97096	0.2
71.01267	0.3
71.05945	0.4
78.95798	0.4
79.95658	0.5
83.04969	0.2
85.02863	0.2
89.02341	0.2
96.95914	3.2
97.02911	0.2
113.02390	0.2
121.06532	1.2
123.08083	0.3
130.88959	0.2
131.19643	0.2
135.04478	0.2
145.48309	0.2
161.02422	0.7
162.02904	0.2
173.04536	0.2
189.09261	0.3
191.05656	0.6
211.13419	0.3
229.14523	0.2
263.58145	0.2
269.19354	0.5
313.18246	0.5
321.20932	0.9
329.23578	0.4
349.19366	0.4
409.18906	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	409.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47773	0.7
57.03339	1.9
59.01262	6.2
60.99186	2.0
67.01771	4.5
69.26489	1.7
69.26897	5.9
71.01281	3.9
72.99196	100.0
73.99528	1.8
74.29147	0.8
81.03360	1.2
83.04934	1.8
85.02844	1.9
87.00758	5.3
93.03357	29.2
94.03704	1.7
96.95912	10.7
98.20492	1.8
101.02297	1.0
111.04427	6.1
112.06928	0.8
119.04929	2.6
133.02872	5.0
134.03633	2.9
135.04456	37.0
136.04790	2.3
137.02451	2.0
145.02892	2.3
147.04416	1.3
155.03467	3.7
161.02377	14.7
162.05611	0.9
163.03970	2.7
165.05565	1.2
173.04507	87.4
174.04700	4.4
176.12755	0.8
179.03468	21.8
180.03775	2.5
191.05574	13.0
192.06535	1.4
211.07538	1.2
218.04585	2.3
236.05617	7.4
247.04613	87.1
248.04976	5.5
335.07767	19.7
336.08069	1.5
349.18582	2.7
409.07834	1.4
409.19202	3.7
410.11115	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	409.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87027	0.3
55.01767	1.6
57.03342	2.8
57.03588	0.5
57.24298	0.3
57.38620	0.3
58.00470	1.8
59.01266	100.0
60.01590	0.9
61.98719	1.2
67.01772	0.7
71.01272	45.1
71.58334	0.6
71.81626	0.3
72.01624	0.9
72.99202	2.6
73.02839	8.8
75.00761	0.5
78.95795	10.2
81.03365	0.5
83.01278	5.6
85.02845	14.5
87.00782	3.2
89.02338	32.8
90.02687	0.5
93.03353	3.1
95.01289	3.6
96.95934	1.9
96.96863	8.5
97.02866	0.8
99.00782	3.4
101.02348	35.8
102.02707	1.3
103.03928	0.4
106.04019	0.6
107.61448	0.4
110.32130	0.3
111.00813	0.5
111.04448	0.6
113.02363	18.7
114.02734	0.5
117.03396	1.5
119.03421	13.8
119.04839	2.2
120.03754	0.4
125.02371	1.1
129.01912	0.5
131.03404	1.6
133.02873	0.4
143.03445	4.5
145.02905	5.6
148.05096	4.3
149.04521	0.6
155.03513	0.4
159.02934	2.1
161.04509	27.3
162.04816	0.9
163.03969	3.3
173.04523	2.7
175.06174	1.3
179.05571	11.9
180.06006	0.6
187.13390	8.0
191.05592	7.2
205.03438	0.9
211.07544	0.4
215.88507	0.4
233.09525	8.2
234.09889	1.1
235.10205	0.5
249.09041	1.2
250.06729	1.4
263.15042	6.0
265.08566	0.5
266.61478	0.4
272.10580	0.7
283.09570	0.5
307.14560	0.3
307.17770	1.4
319.08496	0.4
327.08771	0.5
331.19104	0.5
337.09409	3.4
349.18750	59.6
350.19073	6.7
409.20209	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85061	1.8
58.07331	1.7
58.86826	2.0
59.01265	100.0
61.01769	1.9
63.54913	2.1
69.07084	1.9
71.01268	30.1
71.10364	4.0
71.10711	2.2
73.02830	2.3
75.06387	2.1
85.02850	7.2
89.02332	27.2
101.02345	20.7
113.02363	8.9
115.25359	2.0
119.03410	13.1
127.06741	2.1
161.04549	13.7
167.03552	2.4
179.05565	11.4
187.13321	3.9
290.63379	2.0
331.42014	2.0
349.18716	64.2
350.19031	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	409.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77174	0.7
55.01777	1.1
56.07554	0.7
57.03335	5.1
58.00480	1.9
59.01265	100.0
60.01625	1.0
61.98709	2.3
67.35073	0.7
71.01269	29.1
71.53668	0.8
71.54021	1.8
72.24888	0.7
72.99197	2.0
73.02840	3.4
75.00776	1.0
78.95790	2.7
83.01270	2.6
85.02834	9.6
87.00758	1.9
87.04407	1.4
89.02337	23.4
90.02679	1.1
93.03382	1.1
95.01290	2.8
96.95919	0.9
96.96857	1.2
99.00776	2.4
99.04420	3.3
101.02351	22.6
107.04900	1.3
108.34836	0.8
113.02351	13.7
114.52438	0.8
119.03415	12.2
125.02311	1.2
135.04460	3.5
143.03391	2.6
146.03175	0.8
159.02907	1.3
161.04495	13.5
179.05519	4.5
180.04170	0.9
187.13361	4.5
191.05583	3.1
196.29504	1.0
204.60117	0.8
249.09044	1.7
265.13171	1.2
349.18738	53.5
350.18961	6.4
409.21167	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2214
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
58.94318	0.2
59.01261	2.4
62.96274	0.3
69.00334	0.2
70.18365	1.1
71.01254	0.3
78.95795	100.0
89.02370	0.3
96.96865	8.2
116.43095	0.2
127.97507	0.2
150.97961	1.4
152.99527	92.9
153.99846	1.6
171.00594	74.0
172.00955	1.3
174.02507	0.3
186.01218	0.2
199.96457	0.3
201.11522	0.4
255.23262	0.4
347.16940	0.4
407.22217	5.0
408.22412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79327	0.2
55.57039	0.2
58.35168	0.2
59.01257	1.1
62.96273	0.3
78.95798	100.0
96.96865	8.5
96.97502	0.3
98.20548	0.6
112.46424	0.2
120.38711	0.2
150.97942	1.7
152.99533	88.4
153.99875	1.6
165.93704	0.2
166.26819	0.2
171.00603	66.8
172.00983	1.1
211.13396	1.1
229.33636	0.2
407.22119	4.2
408.22360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99494	0.7
59.01270	3.2
59.96633	1.7
60.74166	0.4
63.96115	1.2
69.03351	6.7
70.09722	0.3
71.04936	0.5
71.52939	0.9
71.96645	15.6
74.98993	0.7
78.95801	50.3
86.99004	76.0
87.99339	1.3
88.80308	0.4
88.96945	1.2
96.96870	4.3
105.00077	7.2
114.44649	0.4
133.65677	0.4
146.02876	0.4
150.97946	1.1
152.99541	47.8
153.99881	0.8
171.00606	36.8
172.01003	0.5
181.45264	0.4
183.13936	0.4
211.13382	2.7
213.15096	0.5
244.31157	0.5
275.23904	1.2
301.21811	4.8
302.22247	1.0
319.22861	46.7
320.23154	5.5
325.18375	0.5
347.16940	0.4
361.24170	0.7
392.89249	0.4
407.22690	100.0
408.23029	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	407.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01609	1.1
69.46739	1.7
71.01280	0.3
73.02834	0.5
87.00764	0.3
89.02356	0.2
99.04372	0.3
101.02395	0.3
110.81185	0.2
117.40404	0.3
130.18953	0.2
140.42830	0.2
145.02895	0.2
161.02350	0.3
161.04538	0.3
162.81711	0.2
164.97462	0.2
168.81358	0.2
177.91946	0.2
179.03435	0.3
191.05551	0.4
233.54285	0.2
247.77179	0.2
271.02765	0.3
299.02020	0.5
305.19751	0.3
324.95554	0.3
347.17255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2448
Annotation	Dimethamine
Peak:m/z	Relative Intensity
52.31833	0.8
57.03325	3.1
59.01263	15.0
59.98400	0.9
61.98715	10.4
69.03342	13.5
69.91712	3.8
71.01260	3.6
71.04916	1.9
73.50424	0.7
75.00761	4.0
78.63015	0.8
78.95804	0.8
80.28011	0.7
83.04463	1.3
83.04913	15.0
85.02837	2.3
87.00729	1.2
89.02334	21.1
96.95915	1.4
97.06503	2.4
99.04428	10.4
101.02366	2.0
107.04946	0.8
109.06513	1.0
111.08045	0.9
113.02357	1.3
119.04906	0.8
120.23509	0.7
121.02676	0.9
121.06532	0.8
123.08088	6.6
125.09654	2.2
135.04411	2.1
145.02779	0.9
147.11671	4.3
149.09645	1.9
149.13315	14.0
161.02336	2.1
161.04533	1.7
163.04030	0.9
163.11247	1.2
165.12808	2.5
167.10751	4.6
167.14331	3.6
171.10254	2.1
175.03813	0.8
179.03337	1.5
191.05574	2.1
193.12317	1.0
201.05692	0.7
217.19487	1.0
235.20645	0.9
251.16527	2.6
257.18979	1.2
271.02490	2.2
273.22311	9.1
274.22482	0.9
276.07578	0.7
291.20041	1.7
291.23370	31.2
292.23645	3.2
299.02011	2.5
300.02936	0.8
317.21399	5.6
321.08011	1.1
335.22342	36.2
336.22736	4.1
346.08432	0.9
347.09445	1.7
347.17264	3.8
363.08734	1.1
364.09497	3.8
379.11902	13.8
380.12308	3.1
407.24451	100.0
408.24768	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	407.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	14.0
62.66728	1.0
69.61391	7.2
71.01265	1.1
72.99203	1.6
75.00762	100.0
79.28400	1.1
82.92683	1.0
82.93642	1.1
87.20708	1.1
96.95925	1.7
97.02852	14.0
99.56922	1.1
119.04980	1.3
127.07586	3.8
145.02913	1.8
189.12822	5.1
191.07039	1.7
205.08694	4.9
207.10338	2.0
283.17178	2.1
313.18185	22.3
314.18686	3.2
327.05356	1.1
331.19205	50.7
332.19647	6.0
347.17105	1.3
424.87964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68667	0.6
59.01267	8.1
71.01295	1.1
71.58192	0.8
78.95792	100.0
89.02326	0.9
96.96854	7.9
130.08691	0.7
150.97968	1.9
151.04002	0.5
152.99525	92.2
153.99872	1.7
155.70848	0.4
161.02351	0.7
171.00594	71.5
172.00922	1.5
224.23303	0.4
245.36008	0.4
255.23389	0.7
287.15726	0.5
303.61749	0.4
326.58673	0.6
347.17163	2.0
373.59665	0.5
397.10532	0.5
407.22058	4.6
407.30292	1.1
408.22745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.7
57.03339	3.8
58.00480	1.2
58.98675	0.7
59.01264	100.0
60.01603	1.2
61.98716	2.1
69.03333	1.3
69.65756	0.5
70.42786	1.7
71.01270	23.0
71.04944	0.6
72.99193	1.9
73.02833	6.7
75.00760	3.8
79.95625	0.6
81.20277	0.6
83.01271	3.4
83.04931	1.0
85.02841	9.6
87.00767	6.6
89.02336	11.8
89.02840	1.0
93.03357	1.4
95.01302	2.8
97.02853	1.0
97.06535	1.0
99.00806	2.4
99.04444	2.7
101.02344	16.4
101.05977	5.3
109.06536	0.6
111.00787	1.0
113.02356	12.1
115.07580	1.5
115.58688	0.6
117.03392	2.3
119.03426	4.2
119.04965	3.0
119.13135	0.6
123.04523	0.6
125.02441	1.2
129.01895	1.3
133.02896	1.4
135.04466	2.2
137.02405	0.9
143.03404	3.1
143.07024	1.2
145.02898	6.4
147.55807	0.6
149.04555	0.7
159.02957	1.1
159.92906	0.6
161.02397	1.7
161.04506	11.9
161.05843	1.0
162.02820	0.6
163.04007	2.5
166.46329	0.6
171.02979	0.8
171.10278	1.8
173.04474	1.0
179.03532	1.4
179.05647	1.4
184.52740	0.6
185.11819	10.2
191.04208	0.6
191.05559	3.2
227.13043	0.9
233.72026	0.6
243.05298	0.6
257.13974	1.2
271.02835	0.8
347.17188	37.8
348.17456	3.8
363.16672	1.1
365.18240	1.3
407.10086	1.4
407.19223	3.2
424.93234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10376	0.5
55.01776	0.5
57.03336	1.7
59.01264	100.0
60.01606	1.3
61.98722	1.9
70.45312	0.9
70.45722	1.2
71.01267	13.3
72.99194	1.7
73.02844	5.4
75.00772	1.8
76.99553	0.5
78.95785	2.4
80.55837	0.5
83.01289	2.3
85.02846	5.7
87.00770	3.0
89.02328	4.1
93.03358	1.8
95.01276	1.1
96.95917	2.2
96.96888	1.0
97.02846	0.7
97.06446	0.6
99.00779	1.7
99.04448	0.6
101.02339	9.2
103.17944	0.5
104.48029	0.7
113.02358	6.1
113.09626	3.7
115.07634	0.8
115.68207	0.6
117.03414	1.4
119.03392	1.3
119.04984	1.8
125.09612	0.6
129.01863	1.2
131.60277	0.5
133.02951	0.6
135.04466	1.4
137.02451	1.0
143.03386	0.7
145.02908	4.8
150.03177	1.7
159.02980	1.5
160.36101	0.6
161.02382	1.5
161.04503	12.3
161.05862	1.0
163.03983	1.5
165.05527	2.5
167.10709	0.7
173.04515	1.0
179.03499	0.7
181.04958	0.6
185.11789	15.2
186.12175	0.9
188.16475	0.5
191.05583	8.2
195.06662	1.7
201.04088	0.7
229.01431	0.5
233.09676	0.9
271.02429	0.6
295.49265	0.5
299.02115	0.7
335.22412	0.8
347.17175	27.3
348.17554	2.0
365.18112	0.5
369.51328	0.6
407.10190	1.1
407.18063	1.6
407.23267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
57.03327	1.5
59.01263	100.0
60.01601	1.3
69.03346	1.1
70.91474	1.4
71.01267	17.8
71.04907	1.2
73.02840	4.3
75.00750	1.3
83.01287	2.2
85.02837	8.5
85.06493	0.8
87.00761	4.2
89.02332	6.0
93.03360	1.2
95.01315	1.5
95.04955	1.0
97.02886	0.9
97.06488	5.2
99.00794	2.0
99.04423	0.8
101.02344	12.2
111.00829	1.7
111.04427	1.1
113.02352	9.0
115.07560	18.2
117.03396	4.5
119.03493	2.7
119.04935	7.8
129.01857	5.0
135.11108	0.5
135.14409	0.5
143.03453	1.4
145.02882	15.9
146.03265	0.8
157.08609	2.8
159.02977	2.0
161.04494	17.7
161.05891	0.7
162.04826	0.7
163.03951	6.4
163.07935	0.7
165.05542	0.8
167.10773	1.8
171.02982	1.0
179.05594	1.0
185.11797	12.6
186.12231	0.9
187.28177	0.5
191.05634	2.2
201.04201	1.4
205.05122	0.7
227.13036	1.0
233.10320	0.7
235.06238	1.1
243.05214	1.5
249.06342	1.0
259.12021	1.5
346.89813	0.5
347.07922	1.0
347.17160	19.6
348.17670	2.2
363.41718	0.6
365.18304	1.0
373.14279	0.6
407.10052	4.5
407.15747	4.1
407.20059	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.6
57.03336	1.7
58.00497	0.8
59.01265	100.0
60.01594	1.0
61.98714	1.4
64.58775	0.7
69.80099	3.1
71.01268	20.5
72.99194	1.1
73.02840	6.4
75.00766	6.0
79.10075	0.6
83.01268	2.9
85.02849	11.1
87.00750	3.2
89.02335	8.9
93.03390	0.8
95.01295	1.9
97.06460	1.3
98.20456	1.0
99.00805	1.5
101.02344	19.1
113.02361	10.1
119.03431	3.8
143.03433	1.1
145.02910	0.8
159.02995	1.9
161.04486	9.4
179.05629	2.0
185.11809	3.3
191.05600	1.9
203.12903	1.4
347.17169	42.1
348.17429	3.3
365.18237	8.3
366.18658	1.1
407.19360	12.2
408.19708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.6
59.01266	100.0
60.01608	1.9
69.77673	4.2
71.01270	25.3
72.99221	0.9
73.02838	7.8
78.09848	0.7
83.01283	3.4
84.01549	0.7
85.02844	11.8
87.00784	2.8
89.01901	0.6
89.02324	3.5
95.01293	1.7
97.02851	1.4
98.19788	1.1
99.00789	3.1
101.02348	17.8
106.12146	0.6
113.02358	13.2
117.03355	1.5
119.03413	0.6
119.04967	3.2
125.02364	0.7
127.03851	0.6
129.01851	3.7
129.47781	0.7
141.01926	1.1
141.09308	0.6
143.03471	3.1
145.02898	9.8
159.02956	3.8
161.04503	53.4
162.04871	1.8
163.03949	5.2
171.03038	0.8
179.05621	0.8
185.11794	14.4
191.05588	4.3
205.03542	2.2
216.03114	0.9
231.04518	0.8
235.06152	1.6
243.05141	1.3
250.88976	0.8
290.72394	0.7
347.17191	30.5
348.17606	3.2
385.95020	0.9
407.09955	2.6
407.19217	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.9
59.01266	100.0
59.75512	0.5
60.01598	1.1
63.41207	0.5
69.03355	0.8
70.38261	2.2
71.01272	13.5
71.04922	1.0
73.02838	4.0
83.01292	2.0
85.02835	6.9
85.06488	1.0
87.00789	1.7
87.65207	0.5
89.02347	4.0
95.01297	0.8
97.06466	3.3
99.00793	1.2
99.04462	1.1
101.02346	8.9
109.44994	0.5
113.02372	6.6
115.07568	14.2
115.08327	0.9
117.03389	2.0
119.03436	2.0
119.04925	3.8
129.01846	0.9
143.03546	0.9
145.02879	6.6
159.02992	1.4
161.04506	12.7
161.05826	0.7
163.04024	2.3
167.10817	1.6
179.05620	0.8
185.11789	9.0
219.07265	0.5
233.10300	0.9
309.53671	0.6
347.08084	0.6
347.17194	10.7
348.17801	1.1
365.18454	1.2
407.10059	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	407.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10376	0.5
55.01776	0.5
57.03336	1.7
59.01264	100.0
60.01606	1.3
61.98722	1.9
70.45312	0.9
70.45722	1.2
71.01267	13.3
72.99194	1.7
73.02844	5.4
75.00772	1.8
76.99553	0.5
78.95785	2.4
80.55837	0.5
83.01289	2.3
85.02846	5.7
87.00770	3.0
89.02328	4.1
93.03358	1.8
95.01276	1.1
96.95917	2.2
96.96888	1.0
97.02846	0.7
97.06446	0.6
99.00779	1.7
99.04448	0.6
101.02339	9.2
103.17944	0.5
104.48029	0.7
113.02358	6.1
113.09626	3.7
115.07634	0.8
115.68207	0.6
117.03414	1.4
119.03392	1.3
119.04984	1.8
125.09612	0.6
129.01863	1.2
131.60277	0.5
133.02951	0.6
135.04466	1.4
137.02451	1.0
143.03386	0.7
145.02908	4.8
150.03177	1.7
159.02980	1.5
160.36101	0.6
161.02382	1.5
161.04503	12.3
161.05862	1.0
163.03983	1.5
165.05527	2.5
167.10709	0.7
173.04515	1.0
179.03499	0.7
181.04958	0.6
185.11789	15.2
186.12175	0.9
188.16475	0.5
191.05583	8.2
195.06662	1.7
201.04088	0.7
229.01431	0.5
233.09676	0.9
271.02429	0.6
295.49265	0.5
299.02115	0.7
335.22412	0.8
347.17175	27.3
348.17554	2.0
365.18112	0.5
369.51328	0.6
407.10190	1.1
407.18063	1.6
407.23267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.4
57.03336	100.0
58.03679	1.9
58.31239	0.7
59.01263	81.8
60.01594	1.1
61.98736	0.8
71.01269	13.2
72.99191	0.8
73.02843	4.8
74.26239	0.6
78.95802	2.8
81.03355	0.9
83.01268	4.6
85.02844	6.9
87.00769	0.8
89.02332	1.2
95.01297	1.4
96.95959	1.3
99.00793	2.2
99.04417	77.6
100.04772	1.7
101.02346	32.3
101.03012	1.6
113.02338	6.2
125.02367	20.3
129.81404	0.6
131.03497	0.8
133.02887	1.0
135.04466	2.2
143.03479	2.1
159.02803	0.9
161.02406	1.4
161.04503	3.9
179.03551	0.9
191.05626	1.6
193.18729	0.8
229.28033	0.8
250.30153	0.7
263.15018	29.3
264.15375	1.3
271.02707	1.9
299.02094	2.0
305.16144	2.5
311.57733	0.7
322.49246	0.8
345.19141	1.1
347.17593	0.9
347.47626	0.7
353.08905	1.4
407.19162	4.8
408.19620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.7
57.03341	2.1
58.00484	0.7
58.58306	0.3
58.94484	0.4
59.01267	11.8
59.18564	0.3
61.55287	0.3
67.01791	0.7
68.99703	1.1
69.03347	0.8
69.80211	1.5
71.01273	11.1
72.99202	4.1
73.02831	1.4
75.00768	14.4
75.01199	0.8
78.91782	0.3
81.03367	0.5
83.01273	1.3
85.02846	14.1
87.00771	6.0
89.02345	2.4
91.80581	0.4
93.03361	0.6
95.01292	4.7
98.20581	0.3
99.00789	8.1
100.01157	0.4
103.00274	1.5
111.00794	1.0
111.04394	0.3
113.02360	17.4
115.00294	1.5
117.01865	2.3
117.58704	0.3
129.01862	1.3
139.00345	0.7
143.10747	0.8
152.00989	0.3
157.01410	0.7
157.12292	100.0
158.12639	5.3
162.55794	0.3
175.02444	2.6
189.04138	0.6
191.05641	0.3
231.05103	2.2
249.06203	17.2
250.06425	0.9
267.07495	0.4
275.09344	0.6
300.23120	0.4
347.17221	0.6
389.18167	2.7
407.19324	77.3
408.19635	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	407.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99768	0.4
56.64025	0.4
57.03336	1.5
58.00479	1.2
59.01263	100.0
60.01595	0.8
70.49787	1.5
71.01268	24.7
71.04914	0.8
72.01604	0.5
72.51267	0.4
72.99198	1.1
73.02833	6.4
75.00752	0.8
75.35966	0.4
83.01270	3.6
85.02840	6.3
87.00776	3.3
89.02336	29.6
95.01305	1.4
97.02887	0.8
97.06503	1.3
99.00768	1.2
99.04465	0.9
99.93488	0.5
101.02342	20.1
111.00796	1.0
113.02354	14.1
115.07576	2.1
117.03369	2.6
119.03415	15.3
119.04874	4.0
125.02382	0.6
128.03481	0.6
129.01874	2.5
131.03435	1.6
143.03458	3.5
143.04497	0.8
145.02878	10.3
149.04520	1.8
157.08708	0.6
159.02992	0.8
161.04489	13.2
161.05872	0.9
163.03969	3.6
171.02997	1.4
179.05574	10.5
185.11826	3.1
191.05626	2.1
195.12691	0.6
201.04083	1.1
203.05649	0.6
203.12886	1.7
247.11879	5.7
269.14053	1.3
273.09082	0.4
347.08069	1.0
347.17166	30.8
348.17413	3.0
365.18216	5.9
397.72198	0.5
407.10107	3.4
407.15253	0.9
407.19601	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94792	0.9
55.01755	1.2
57.03342	9.0
59.01267	100.0
60.01618	1.1
65.03824	0.9
69.03349	7.0
71.01276	14.6
71.04897	1.3
71.58144	0.8
72.99210	1.2
73.02831	6.0
74.57665	0.9
75.00762	2.1
81.03349	6.2
83.01281	8.9
83.04914	1.5
85.02841	11.6
87.00774	59.1
89.02339	7.1
93.03370	4.1
95.01284	2.8
97.02883	4.6
99.00771	1.2
99.04421	15.5
101.02354	10.4
101.05977	1.3
102.41062	1.1
109.02861	3.2
111.00798	29.2
111.04395	2.7
112.01104	1.0
113.02365	6.7
115.00267	1.2
117.03386	23.6
119.03439	3.6
119.04948	71.2
120.05281	2.9
121.02880	5.2
123.04406	1.3
125.02400	2.1
127.03950	7.0
129.01874	21.7
132.05771	1.2
133.06519	3.9
134.03638	1.0
135.04443	0.8
137.02394	2.4
139.03923	2.1
141.01906	3.1
143.03421	1.4
145.02899	92.0
146.03253	4.1
147.04454	0.9
149.02403	2.2
150.03107	2.1
153.01901	2.5
155.03418	1.4
159.04420	0.9
161.04512	4.5
161.06029	9.3
162.03114	1.3
163.03970	75.0
164.04341	4.0
165.01801	1.0
165.05486	1.2
171.02959	26.1
171.04414	1.4
171.10252	2.3
172.03278	1.6
173.04543	1.2
177.05569	1.4
179.03392	1.1
185.11812	2.9
187.03992	4.1
191.05618	4.8
191.07118	1.6
201.04022	7.9
205.05057	5.4
217.04927	1.2
227.12941	1.4
235.06158	21.8
236.06528	1.9
243.05170	5.2
261.05945	1.3
275.09204	2.7
277.07339	1.5
285.07822	1.2
303.08829	7.7
319.08377	1.4
347.07928	6.2
347.17154	15.2
347.37271	0.9
348.17474	1.0
359.15265	1.6
365.08932	9.3
407.09991	26.1
407.19229	10.5
408.10098	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17295	1.3
57.03339	47.3
59.01267	100.0
62.04567	1.2
69.73740	8.3
71.01276	19.5
71.04900	1.4
73.02845	4.1
75.21651	1.3
78.95811	2.2
83.01281	1.8
85.02838	9.4
86.10851	1.2
87.00771	2.7
89.02342	9.7
90.80149	1.2
95.01292	1.4
98.19873	2.0
99.00772	2.4
99.04417	41.6
100.04731	1.9
101.02345	22.8
101.06001	3.8
113.02362	6.7
117.03412	1.5
118.77348	1.1
119.03394	3.5
119.04975	1.5
125.02379	15.3
137.17206	1.3
143.03401	3.2
145.02908	4.5
161.04510	9.3
167.10754	2.0
176.11742	1.5
179.05566	2.4
188.54570	1.4
263.11432	6.0
278.24289	1.4
305.12424	3.3
337.76508	1.6
347.17191	14.5
363.61154	1.4
407.15436	4.9
407.19263	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	407.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.4
57.03342	3.0
58.00491	1.6
59.01263	100.0
60.01613	1.4
61.98707	0.7
63.51555	0.6
69.03346	1.3
69.28783	3.0
69.29214	4.0
71.01269	32.4
72.99200	2.6
73.02834	11.9
74.03192	0.7
78.95847	1.2
83.01272	8.4
85.02838	18.8
86.03189	0.8
87.00751	4.1
89.02335	8.2
93.03375	1.8
94.93061	0.6
95.01305	2.4
96.95921	0.8
97.02855	1.6
97.06455	0.9
99.00751	4.5
99.04439	0.8
101.02342	43.5
111.00802	0.7
111.04482	0.6
113.02352	13.1
113.03077	1.0
117.03416	1.5
119.00239	0.6
119.03432	2.7
119.04957	3.6
125.02393	1.5
129.01871	2.5
135.04498	0.8
137.02420	0.8
143.03452	2.4
145.02876	7.1
157.08806	0.8
159.02972	2.5
159.87151	0.6
161.02391	0.9
161.04506	22.5
162.04918	1.0
163.04021	1.9
167.10686	0.8
173.04494	1.0
179.03545	0.7
183.52879	0.7
185.11800	7.1
191.05560	5.2
192.06006	0.6
209.11861	2.2
227.12955	1.8
245.14011	3.6
263.57196	0.7
347.17166	80.0
348.17526	8.6
377.71835	0.7
379.31161	0.7
407.10309	1.2
407.19281	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	407.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.5
55.89620	0.3
57.03339	2.8
59.01268	29.5
60.01588	0.3
65.03848	0.3
69.03348	3.2
69.52550	1.7
69.52972	0.6
71.01274	2.6
71.04926	0.5
72.99213	0.5
73.02834	0.7
81.03352	3.2
83.01273	4.2
83.04937	0.9
85.02850	4.7
87.00776	25.8
88.01122	0.3
88.31271	0.3
89.02352	1.4
93.03362	3.4
95.01301	0.9
95.04943	0.8
97.02860	4.5
99.00775	0.8
99.04429	3.7
101.02375	1.5
109.02882	1.7
111.00796	11.9
111.04420	3.1
112.01134	0.3
113.02361	1.5
115.00312	0.4
117.03384	22.8
118.03720	1.0
119.04949	46.5
120.05280	2.4
121.02878	3.3
123.04457	0.8
127.03928	2.4
129.01868	21.6
130.02213	0.7
132.05750	1.1
133.02815	0.4
133.06531	3.6
135.04474	0.5
137.02402	0.7
139.03970	1.7
141.01881	1.4
143.04953	3.3
145.02893	100.0
146.03218	5.7
147.04379	0.4
153.01901	0.8
155.03474	0.4
159.04468	0.4
161.04640	0.2
161.06029	7.0
162.03151	0.7
162.06433	0.4
163.03961	41.7
164.04314	2.0
171.02954	11.7
173.04518	0.8
177.05554	0.7
183.03000	2.3
187.03972	2.9
187.07642	0.5
191.05594	4.2
191.07130	0.6
192.05830	0.4
201.04033	9.6
205.05077	4.2
206.05524	0.4
211.62169	0.3
214.26776	0.3
215.07184	0.4
217.05013	0.7
219.05121	2.1
235.06136	10.4
236.06427	0.8
243.05115	6.1
244.05418	0.4
257.08118	0.4
261.06104	0.9
275.09372	1.3
285.07779	0.7
303.08817	2.9
306.55792	0.4
319.08356	0.8
347.07803	6.1
347.17096	1.6
348.08005	0.6
365.08798	3.3
365.18304	0.4
366.09167	0.5
396.91733	0.3
407.09940	27.5
407.19290	2.2
408.10141	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	407.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55650	0.7
55.01760	1.1
57.03318	3.0
59.01266	68.2
61.98698	0.7
67.01766	1.8
69.03349	6.2
70.87056	1.5
70.87425	1.3
71.01262	5.5
73.02821	1.3
75.00774	1.1
81.03345	6.5
83.01287	7.0
83.04935	2.3
84.09953	0.8
85.02853	10.8
87.00774	55.0
88.01070	0.9
89.02324	1.4
93.03362	8.1
95.01264	2.2
95.04939	1.5
96.95911	1.6
97.02856	5.8
99.04418	8.5
101.02345	2.3
105.38922	0.7
109.02885	4.0
111.00791	25.6
111.04411	5.4
113.02340	3.4
115.00276	1.3
117.02563	1.8
117.03371	23.0
119.04948	70.5
120.05254	3.7
121.02882	5.3
125.02346	1.2
127.03941	6.7
129.01852	19.8
132.05731	1.8
133.02867	1.0
133.06502	3.9
134.03568	1.2
135.04391	1.3
137.02376	3.1
139.03951	2.1
141.01831	2.9
145.02888	100.0
146.03242	5.1
147.04439	1.6
149.02377	1.6
153.01822	1.2
155.03444	1.3
159.04449	0.7
161.04674	1.6
161.05983	7.8
162.03195	1.5
163.03961	66.7
164.04292	3.2
165.01862	1.0
165.05466	1.3
171.02945	26.3
171.04428	1.6
171.10268	2.1
172.03232	1.0
173.04520	3.6
177.05493	1.5
183.02942	1.9
187.04001	3.9
191.05591	17.5
191.07106	1.6
192.05948	1.3
201.04008	9.4
205.05006	6.2
217.05064	1.3
219.04999	1.1
226.48497	0.8
235.06125	21.2
236.06392	1.0
243.05032	4.8
261.06207	3.6
275.09381	2.1
277.07263	1.4
285.07813	1.1
303.08755	7.1
319.08359	1.9
347.07864	6.5
347.17163	3.0
348.08228	0.9
357.09738	1.1
365.08948	7.0
376.95993	0.8
407.09912	25.6
407.15030	1.7
407.18942	2.3
408.10226	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	407.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03335	3.7
59.01262	26.5
67.01775	0.5
69.03330	2.6
71.01257	2.3
71.13202	1.0
73.02823	0.7
76.04086	0.4
81.03352	2.2
83.01271	2.5
83.04919	0.6
85.02837	4.2
87.00768	16.7
89.02341	0.8
93.03335	2.4
95.01302	0.4
95.04907	0.8
97.02839	3.0
99.00741	0.4
99.04407	2.4
101.02338	0.7
109.02861	1.3
111.00790	8.5
111.04420	2.8
113.02351	1.1
117.03371	22.0
118.03694	0.8
119.04942	41.7
120.05268	1.7
121.02877	2.2
123.04395	0.4
127.03908	1.8
129.01857	22.6
132.05797	0.4
133.06544	2.8
139.03931	1.3
141.01825	1.1
143.04921	0.6
145.02885	100.0
146.03226	5.1
153.01894	0.5
159.04456	0.4
161.04692	0.7
161.06017	5.6
163.03958	32.8
164.04306	1.7
170.77220	0.4
171.02951	6.5
177.05531	0.6
183.02962	1.5
187.04005	1.3
191.05469	0.4
191.07155	0.4
201.04028	8.6
201.05862	0.5
205.05066	4.3
217.05054	0.5
219.05083	1.0
223.05994	0.4
235.06104	6.3
243.05107	6.4
261.06137	1.8
275.09351	1.2
303.08798	2.5
319.08133	0.5
329.14398	0.4
347.07764	5.7
347.17270	1.2
365.08694	2.4
375.00381	0.5
407.09915	21.7
408.10233	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	407.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.8
57.03335	20.0
58.00459	0.7
58.03686	0.6
59.01264	97.7
60.01604	1.4
64.26573	0.6
65.03857	0.7
69.03337	3.0
71.01270	15.5
71.04899	0.9
71.44373	1.0
72.99203	1.1
73.02837	4.7
81.03355	1.8
83.01256	4.9
83.04932	1.1
85.02837	7.6
87.00770	12.7
89.02346	7.5
93.03381	2.2
95.01301	1.2
95.04936	0.8
97.02843	3.7
97.06502	2.0
99.00797	2.0
99.04421	16.9
101.02346	13.0
109.02885	1.2
111.00792	6.5
111.04388	3.5
113.02357	7.3
114.05502	0.8
115.07568	7.0
117.03374	23.8
117.04192	1.3
118.03760	0.9
119.03493	2.5
119.04945	39.9
120.05293	1.4
121.02870	2.6
123.04461	1.6
125.02361	5.4
127.03954	1.7
129.01865	23.9
133.06514	1.8
139.03940	1.3
141.01901	1.2
141.07800	0.6
143.03465	1.4
145.02887	100.0
146.03215	5.8
149.04535	0.7
161.04524	10.6
161.06038	5.5
162.03221	0.6
163.03951	31.2
164.04350	1.9
171.02922	6.2
179.05598	2.1
183.02960	1.4
185.11783	5.1
191.05547	1.2
201.04050	8.1
205.03499	0.7
205.05139	3.2
205.06804	0.6
217.05034	0.8
219.05109	0.7
221.00722	0.5
235.06119	6.0
243.05098	6.4
259.09802	0.7
261.06265	1.7
275.06094	0.6
275.09189	0.7
285.07742	0.9
287.60303	0.7
302.50861	0.6
303.08899	1.8
305.12549	0.8
347.07880	4.7
347.17154	11.1
348.17633	1.3
365.08975	2.6
365.18210	0.7
407.09982	21.9
407.15024	1.2
408.10312	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	407.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	9.6
59.01265	36.3
69.03342	3.0
71.01259	4.2
71.57816	1.5
73.02838	2.3
75.00755	1.3
78.95792	5.9
80.91592	1.5
81.03352	2.3
83.01283	3.9
83.04893	1.6
85.02840	5.2
87.00771	20.5
89.02322	2.9
93.03385	2.5
96.96867	8.9
97.02845	3.8
99.04428	7.5
101.02323	5.4
109.02872	1.0
110.98479	1.0
111.00068	1.3
111.00797	12.5
111.04401	2.7
113.02338	2.0
117.03382	24.7
118.03747	1.6
119.04940	41.4
120.05248	2.1
121.02873	3.0
125.02365	3.4
126.02744	1.0
127.03931	2.0
129.01862	24.2
133.06480	2.6
137.01991	0.8
139.03944	1.6
145.02890	100.0
146.03214	4.3
146.53508	1.0
151.11116	1.1
161.04602	1.9
161.06046	4.2
163.03967	32.8
164.04245	1.1
166.74330	1.1
171.02939	8.7
171.81755	1.0
179.05481	1.4
183.02954	1.7
187.04007	1.6
187.90833	1.0
191.05525	1.5
201.04088	7.0
205.05045	4.5
217.04930	1.8
219.05098	2.1
235.06126	10.8
243.05151	6.1
261.06131	2.4
303.08829	3.5
309.12094	1.7
329.95996	1.1
345.90231	0.9
347.07870	5.9
365.08957	2.8
407.09976	27.5
408.10153	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	407.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54323	0.6
56.77260	0.8
57.03324	2.6
59.01266	25.6
60.01635	0.7
69.03336	2.5
71.01265	1.7
71.57446	0.7
71.57828	1.5
78.95793	1.3
81.03357	2.9
83.01268	2.2
85.02820	4.1
87.00768	17.0
87.01283	1.3
88.01137	0.7
93.03349	2.5
95.01254	0.7
95.04905	1.4
96.96876	0.8
97.02843	3.8
99.04409	2.3
101.02395	1.0
109.02895	1.0
111.00790	9.2
111.04428	2.1
113.02402	1.0
117.03378	28.8
119.04945	47.5
120.05283	2.2
121.02885	2.5
127.03931	1.4
129.01857	16.8
130.02196	1.0
132.05791	0.8
133.06496	2.8
139.03912	1.0
139.28098	0.8
141.01889	1.6
145.02890	100.0
146.03229	6.8
153.15877	0.8
159.04549	0.9
161.05989	4.7
163.03958	29.4
164.04280	1.0
171.02989	4.9
183.02896	1.8
187.04018	1.3
201.04044	8.6
205.05084	2.7
217.04951	0.8
219.05222	1.7
235.06140	3.4
243.05133	4.0
275.09537	0.9
303.08820	1.6
347.07797	3.3
365.08835	1.5
380.11136	0.9
407.09921	14.5
408.10355	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	406.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41872	1.2
52.19056	1.1
59.01267	17.9
61.98718	100.0
69.25514	1.2
69.41152	6.5
69.41586	5.2
71.01265	3.1
73.02824	2.0
78.95785	2.6
85.02833	1.8
87.00753	5.6
88.01102	1.4
89.02362	1.5
96.95892	1.2
98.19778	2.4
99.04427	3.5
115.03904	1.4
135.04427	3.5
145.02856	2.8
161.02309	2.6
163.03902	1.6
179.03406	2.9
191.05551	2.9
194.13171	1.3
263.96695	1.4
271.02463	2.4
299.02011	2.0
340.85101	1.4
347.17157	3.1
406.23218	4.3
407.24667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02864	15.4
59.01270	3.0
70.37709	4.2
71.01273	2.0
74.02364	30.8
81.04489	2.0
82.02871	3.3
84.04440	2.6
86.02379	12.7
86.06030	2.5
87.05524	4.7
97.03976	3.2
99.05550	22.0
101.07122	5.5
102.05518	4.2
109.03983	3.2
109.07574	1.4
111.05547	2.8
112.03957	2.8
113.02402	1.1
123.05636	1.4
124.03999	1.5
125.03537	2.6
127.05060	4.9
128.03467	63.8
129.03781	1.7
133.06866	16.6
135.05563	8.7
137.07169	1.7
141.06587	3.4
143.04570	91.8
144.04895	1.4
145.06111	4.6
146.04529	13.5
149.07225	1.2
153.06622	7.0
166.09821	4.6
167.04596	5.5
167.08215	8.0
170.03290	2.0
171.04144	3.0
179.04590	27.6
180.04871	1.4
181.06192	2.1
185.05650	3.2
188.00064	1.2
192.07802	3.0
197.05692	7.8
210.08862	23.0
228.09796	1.3
238.99542	1.2
254.07881	62.5
255.08186	5.4
262.64063	1.2
269.76141	1.2
272.08957	74.5
273.09332	4.7
277.12384	8.9
278.12646	1.6
280.76263	1.1
281.42007	1.1
388.15570	17.5
389.16135	2.2
394.20172	1.3
406.16644	100.0
407.16742	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	406.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02864	15.2
59.01258	2.3
62.07684	0.5
66.03385	1.2
70.02854	0.7
70.15333	1.1
70.15693	2.7
71.01275	1.2
72.00806	1.3
74.02366	31.5
81.04477	2.6
82.02883	4.3
84.04446	1.5
85.02839	0.8
85.03947	0.8
86.02369	11.9
86.06022	1.9
87.02665	1.3
87.05527	5.9
88.03941	1.1
93.03360	0.9
96.04470	1.2
97.03976	3.5
99.05546	29.6
101.02351	0.6
101.07117	5.7
102.05518	5.4
104.52155	0.5
107.06059	1.7
109.03992	5.9
109.07646	1.8
111.05543	2.0
112.03963	2.6
113.03473	1.2
113.07182	0.9
115.08694	0.5
123.05585	2.6
124.03952	1.4
124.07625	1.2
125.03491	5.0
126.01866	0.6
126.04285	1.5
127.05058	5.6
128.03462	71.5
129.03815	2.3
133.06862	20.2
135.05583	10.0
137.07169	2.1
139.05057	0.8
139.08704	0.6
139.98683	0.7
141.06627	4.1
143.04561	100.0
144.04886	3.2
145.02875	1.4
145.06123	4.5
146.04539	12.6
149.07146	1.1
153.06633	7.4
155.08217	1.3
166.09818	4.2
167.04565	4.5
167.08211	8.0
170.03288	2.4
171.04086	1.5
179.04590	21.3
180.04936	0.9
181.06122	3.3
184.10854	1.1
185.05637	1.6
191.05615	2.0
192.07726	3.4
193.06233	0.6
197.05711	2.9
210.08862	18.0
211.09221	0.7
228.09895	1.1
254.07883	30.5
255.08215	2.5
258.59879	0.6
272.08951	34.0
273.09238	3.1
277.12357	4.7
388.15543	6.7
389.15637	1.2
402.01392	0.6
406.16626	50.9
407.16559	5.7
419.49280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2658
Annotation	Acylated phloroglucinol
Peak:m/z	Relative Intensity
57.03341	0.6
58.17576	0.3
58.25717	0.2
59.01258	1.4
61.98713	0.6
69.03348	4.3
71.04906	0.4
83.04912	2.8
85.06480	0.5
86.47439	0.2
87.04413	53.8
88.04741	0.9
88.98618	0.3
95.41418	0.2
97.06493	0.4
99.04425	1.1
123.08093	1.2
125.09643	0.4
147.11711	0.6
149.09627	0.7
149.13303	0.8
165.12775	0.5
167.14360	0.8
229.25153	0.3
257.19150	0.3
273.22324	1.4
301.30307	0.2
317.21301	8.2
318.21707	0.8
335.22293	2.1
405.26544	100.0
406.26874	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	405.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.3
69.03351	2.2
69.46238	0.2
69.46553	2.1
83.04910	0.3
85.02837	3.4
85.06465	0.4
86.03186	1.0
87.04411	86.3
88.04741	1.9
99.04416	3.3
106.30885	0.3
111.04433	0.5
111.08045	0.3
120.85404	0.2
123.08035	0.4
125.09643	1.0
167.10780	0.5
182.09538	0.3
185.13313	0.2
243.23882	0.3
261.22327	0.9
273.22330	0.7
274.22742	0.3
279.26071	0.5
289.21768	0.4
291.23376	0.3
298.66891	0.3
299.20255	1.6
305.21344	1.0
317.21292	18.2
318.21582	2.2
323.24976	0.6
335.22354	20.8
336.22778	2.6
387.25424	2.0
396.25888	0.2
405.26547	100.0
406.26907	14.8
410.72980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2658
Annotation	Tritoniopsin A, rel-
Peak:m/z	Relative Intensity
59.01274	7.2
61.98688	0.8
69.03345	18.6
69.38760	8.2
71.04915	7.6
72.95158	0.8
83.04918	2.4
87.00768	1.6
87.04415	38.6
97.06492	3.7
99.04393	1.4
99.08083	1.0
109.06505	2.3
117.65601	0.8
121.06520	3.4
123.08092	10.6
124.08360	0.9
125.09646	3.2
135.08080	1.7
149.09741	1.1
149.13283	1.7
150.73112	0.8
153.12752	1.1
153.80814	0.8
163.11287	3.6
169.10144	0.9
175.11172	1.1
187.11259	1.5
189.12874	1.0
193.15907	1.1
203.14418	2.5
205.12323	1.7
205.15999	2.9
217.16132	1.3
219.13902	1.6
219.17494	1.7
221.19058	5.3
245.19225	2.3
257.19168	2.5
271.20911	2.1
273.22357	5.4
275.20297	6.1
289.21826	23.1
290.22122	3.3
291.20081	2.2
291.23361	42.4
292.23743	4.7
317.21420	5.0
335.22610	1.8
405.26593	100.0
406.26929	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	405.266
Annotation	18-Isobutyloxygrindelic acid
Peak:m/z	Relative Intensity
50.55455	0.3
55.54358	0.3
59.01269	1.9
61.98704	0.5
69.03339	4.2
71.57716	0.4
71.58162	0.4
76.65635	0.3
83.04935	0.4
85.02850	1.6
86.03190	0.4
87.00784	0.5
87.04414	100.0
88.04739	2.1
89.02359	0.4
97.06487	0.3
99.04401	2.2
109.06621	0.4
130.08684	0.8
144.91176	0.4
149.09695	0.5
163.11218	1.0
203.18069	0.3
273.22281	8.1
274.22607	0.6
275.20145	0.5
291.23434	2.1
292.23849	0.4
303.64270	0.4
317.21344	0.6
405.26599	11.7
405.31830	0.7
406.26831	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	405.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	1.4
59.01265	3.4
61.98710	1.3
71.01283	0.3
71.57458	0.3
71.57865	0.5
79.69176	0.3
83.04919	5.3
83.29562	0.3
84.28416	0.3
87.00764	0.4
87.04413	100.0
88.04294	0.3
88.04744	2.3
96.95900	0.3
99.04412	0.6
101.02364	0.4
111.04442	0.5
115.91994	1.8
121.06516	0.4
125.42489	0.3
149.09657	2.5
150.10011	0.4
153.50052	0.3
157.31471	0.3
167.41058	0.3
205.15988	0.3
222.30675	0.3
233.15529	0.7
257.19214	0.5
273.22253	1.1
299.20181	0.3
301.18164	0.4
317.21182	2.0
335.22485	0.5
387.25436	1.2
405.26563	45.6
406.26877	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54428	0.4
57.03334	0.7
58.06522	0.4
59.01265	100.0
59.18776	0.3
60.01610	1.4
61.98735	0.4
69.03378	0.4
83.04933	1.1
87.00780	1.8
87.04411	10.8
91.03921	1.3
99.04397	2.1
121.06494	3.8
161.02420	0.7
174.26288	0.5
197.11888	0.5
248.46790	0.4
271.22827	2.0
289.21780	5.3
291.23254	0.5
317.21414	1.2
359.26199	0.8
405.26907	10.6
406.27084	1.5
424.57437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01597	1.2
61.98732	0.4
62.28703	0.2
69.02397	0.2
69.03340	0.4
69.60619	0.2
69.62869	1.3
69.63273	0.5
71.01279	1.9
71.04926	0.4
87.00766	3.5
98.19756	0.2
99.04450	0.5
109.06486	0.3
152.29250	0.2
156.04774	0.2
178.92914	0.2
205.00768	0.2
237.14963	0.3
246.76572	0.3
271.20868	0.3
289.21890	0.6
291.23416	0.6
317.21329	0.4
333.20844	0.4
335.22394	0.7
365.65256	0.2
379.11398	0.3
405.22891	5.0
405.27841	0.3
406.23441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2141
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01768	1.0
57.03345	0.6
58.00487	1.9
59.01268	49.2
60.01580	0.6
61.98725	0.9
69.64400	0.9
69.64800	2.4
70.47955	0.4
71.01274	47.6
71.04911	0.7
72.01601	0.9
72.99199	2.4
73.02839	1.5
83.01287	1.8
85.02844	5.9
87.00768	2.0
89.02343	25.4
90.02695	0.5
95.01273	2.2
98.20586	0.7
99.00751	0.8
101.02351	17.1
109.95441	0.4
113.02361	10.2
119.03433	11.2
119.04848	0.7
127.11206	1.4
130.01738	0.5
131.03462	0.8
135.04417	0.5
139.11252	0.8
143.03432	0.8
149.04590	0.6
153.12784	3.1
155.14455	0.5
161.04486	1.4
167.03568	0.4
173.04544	0.4
179.05679	1.9
181.12340	0.9
181.15988	0.6
191.05679	0.7
199.13409	5.1
201.14880	0.5
207.14011	0.5
225.14897	2.0
243.16003	1.0
245.82809	0.4
255.11414	0.6
285.12527	1.9
317.15012	0.5
363.20340	1.0
387.20288	1.1
405.21414	100.0
406.21716	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	405.2292
Annotation	Afrogenin
Peak:m/z	Relative Intensity
57.03337	6.2
59.00996	0.7
59.01268	10.3
59.98392	0.6
61.98694	0.7
69.03342	5.9
69.58501	3.7
71.01262	0.7
71.04906	1.5
83.04910	7.8
85.02847	3.4
87.00771	57.4
88.01122	0.5
94.52471	0.6
97.06504	2.3
99.04417	5.8
111.04411	1.1
113.06039	0.5
121.06455	0.4
123.08069	3.3
123.08786	0.5
125.09657	0.6
138.06757	0.9
147.11684	0.8
149.09622	1.4
149.13293	2.4
163.11156	0.7
165.12813	0.6
167.10756	2.6
167.14351	1.0
189.12837	0.9
225.11436	0.5
251.16589	1.3
257.19257	0.7
258.41211	0.5
273.22287	2.1
275.20233	3.4
291.23361	3.4
292.23785	0.5
317.21283	16.8
318.21790	2.9
333.24454	9.8
334.24854	1.5
335.22342	9.0
336.22839	1.2
343.22797	0.5
345.30136	0.8
361.23883	9.5
362.24255	1.1
405.22882	100.0
406.23184	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	405.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	3.7
59.01266	5.6
59.92887	0.5
61.98720	3.0
69.03329	2.5
70.95531	1.0
70.95852	0.6
71.01273	11.9
71.04896	0.5
75.14046	0.5
76.78905	0.5
78.67904	0.4
83.04912	4.5
85.02837	1.0
87.00772	69.1
88.01102	1.1
89.02328	4.3
97.06473	1.0
99.04410	5.4
109.06509	0.6
111.08113	0.5
115.03917	1.0
121.06509	35.4
122.06830	2.0
123.08041	2.5
125.09630	3.7
133.06529	1.0
147.08084	1.8
147.11754	0.8
149.09666	0.7
151.02330	0.6
151.11195	1.3
163.26585	0.5
165.12794	1.2
167.10661	0.6
167.14357	1.5
205.15994	0.6
219.17526	1.6
239.18051	1.0
257.19214	1.0
271.20752	4.3
273.22372	3.0
273.24823	0.5
275.20230	0.9
289.21802	41.1
290.22101	4.5
291.20358	0.5
291.23181	2.7
317.21301	8.4
318.21463	0.6
323.20984	0.6
333.24332	0.6
335.22278	8.5
336.22681	1.0
361.23917	10.9
362.24121	1.9
405.22900	100.0
406.23233	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98885	11.1
59.01263	100.0
59.77331	10.8
67.70779	12.6
68.53876	10.0
70.85695	24.1
70.86052	11.7
71.01252	14.0
74.48365	11.4
74.49794	10.7
74.81365	11.0
78.95789	28.9
84.12222	10.9
87.00774	70.2
152.99510	62.6
162.47581	14.9
176.84097	13.2
227.20189	14.9
335.22385	18.9
373.88577	12.2
405.22757	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	405.2659
Annotation	18-Isobutyloxygrindelic acid
Peak:m/z	Relative Intensity
56.05862	0.4
57.03333	1.1
59.01260	4.3
61.98707	1.5
67.75073	0.5
67.77512	0.4
69.03339	0.7
71.01292	0.6
71.28829	1.1
83.04925	3.3
85.06490	1.7
87.00784	0.9
87.04414	100.0
88.04750	2.4
99.04409	1.0
107.04956	0.8
108.53679	0.5
119.03409	0.5
121.06518	29.9
122.06871	1.2
123.08067	1.9
125.09647	1.3
139.11154	0.5
147.08086	1.1
148.04561	0.4
157.49675	0.5
165.12831	1.0
175.11223	0.5
219.17514	1.9
271.20724	3.9
273.22156	0.9
275.20407	0.6
289.21817	43.8
290.22153	4.6
291.23392	1.1
317.21381	3.3
335.22449	0.7
359.25964	3.6
360.26297	0.6
361.27530	1.2
405.26578	89.4
406.26913	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	405.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01569	0.9
61.98715	2.5
64.09748	0.6
67.06731	0.6
71.01283	1.4
71.57821	1.1
73.02834	0.9
75.98051	0.7
83.04922	1.3
85.02854	6.5
87.00803	1.6
87.04427	2.7
89.02336	0.9
90.13898	0.6
99.04446	1.8
101.06001	1.4
106.01498	0.7
127.03960	1.4
146.22238	0.7
150.23517	0.7
152.99527	0.7
155.03232	0.6
183.10323	0.8
222.48871	0.6
279.26001	0.8
284.01126	0.8
285.51483	0.7
405.26578	97.5
406.22040	1.2
406.26901	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	405.214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49718	0.3
59.01264	100.0
60.01601	1.0
61.98726	0.5
69.03353	0.7
71.01293	0.9
71.58611	0.3
71.58988	0.3
73.02827	0.4
75.00768	0.3
80.73418	0.2
83.04973	0.4
85.02866	0.6
87.00804	1.2
94.98345	0.3
97.02866	1.0
101.02347	0.3
101.05978	2.3
102.05529	0.6
102.98535	0.4
106.19067	0.3
119.04964	0.8
128.03484	1.2
133.02924	1.1
134.03674	0.6
135.04448	1.4
145.02887	0.9
146.04573	0.4
161.02383	1.9
162.02826	0.4
163.04008	1.3
167.26106	0.3
178.02731	0.3
179.03568	0.8
191.05629	0.9
193.05046	0.5
203.85732	0.3
218.74734	0.3
227.03488	0.3
232.13347	0.3
242.02339	0.4
243.03238	0.4
255.03197	0.6
258.11487	0.9
270.01740	0.5
271.02637	1.0
283.02658	0.6
285.04166	0.4
287.07938	0.6
299.02115	0.5
300.02805	0.4
313.03610	1.5
314.04456	1.6
345.17227	0.6
405.17078	0.9
405.23254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20290	0.3
59.01265	100.0
60.01595	1.2
71.01293	0.4
71.58349	0.5
73.02858	0.5
101.02346	0.5
113.02378	0.3
132.49440	0.3
161.04529	0.3
172.86694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01606	0.8
70.86405	0.4
70.86738	0.6
71.01274	0.6
71.45018	0.3
73.02836	0.5
78.06123	0.3
78.95802	0.3
83.69576	0.3
85.02864	0.5
87.00767	1.5
89.02341	0.6
101.02370	0.3
111.12489	0.3
112.00312	0.3
113.02386	0.4
135.04430	0.3
155.14221	0.3
161.02597	0.3
179.03387	0.4
196.48141	0.3
197.11700	0.3
299.01730	0.3
303.18265	0.4
324.90546	0.3
358.13724	0.3
361.24023	0.4
388.20621	0.3
405.24033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.214
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01783	1.9
57.03332	1.1
58.00477	1.5
59.01266	33.2
60.01593	0.6
61.98717	1.1
66.99549	0.4
68.78362	0.3
68.86224	0.3
69.03329	0.5
70.56567	1.3
71.01271	19.5
71.04901	0.4
72.01620	0.4
72.99189	2.2
73.02840	3.9
83.01273	3.1
85.02846	7.0
85.06477	2.4
87.00778	1.5
89.02338	12.7
93.03356	0.8
93.90560	0.3
95.01286	1.7
97.06482	0.6
99.00784	4.3
101.02348	13.5
111.00773	0.4
111.04406	0.4
113.02352	6.9
113.09661	0.5
119.03414	4.6
119.04917	0.6
131.03455	0.4
141.09169	1.8
145.02914	0.5
153.12761	0.6
155.14352	5.3
159.02925	0.3
161.04465	0.9
166.02718	0.4
173.04442	0.5
176.11850	0.4
179.05705	0.5
181.15916	3.3
182.16380	0.4
191.05630	0.7
199.13368	13.3
200.13705	0.8
225.14961	5.9
226.15376	0.4
245.17502	0.4
345.19296	1.6
363.20084	0.5
387.20352	0.5
405.21402	100.0
406.21716	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	405.2141
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01759	1.4
57.03334	1.3
58.00472	2.0
59.01266	100.0
60.01600	1.5
61.05017	0.9
61.98718	3.6
69.03343	1.5
71.01271	54.5
72.99194	2.1
73.02837	58.6
74.03128	0.9
75.00769	1.6
78.77436	0.8
78.95820	1.3
83.01276	17.4
83.71520	0.8
85.02834	8.9
85.36805	0.9
87.00763	4.3
89.02341	16.3
92.52076	0.9
93.03348	1.2
95.01300	2.5
97.02840	1.1
99.00781	1.7
101.02351	48.6
113.02368	14.6
117.01919	1.1
119.03436	6.4
119.04961	2.5
121.02901	10.4
125.02410	2.0
131.03409	2.5
135.04434	1.1
137.05789	0.9
143.03409	3.2
145.02884	1.2
149.04570	1.6
155.03432	1.1
155.14400	1.3
161.02348	1.5
161.04465	6.6
163.04074	1.4
173.04504	2.7
183.13869	23.8
184.14226	1.7
190.74261	1.1
191.05550	1.3
201.15065	4.4
203.05518	1.2
235.04799	0.9
345.19269	8.5
346.19775	1.3
363.16830	0.7
363.20316	35.3
364.20667	3.9
405.21420	65.3
406.21790	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	405.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.3
58.00480	7.1
58.03637	1.0
59.01263	100.0
60.01601	1.0
69.03327	0.9
69.67702	6.0
71.01266	20.1
71.16161	0.9
72.99192	1.8
73.02840	20.6
75.00746	1.2
75.86396	1.2
82.19932	0.9
83.01289	4.4
85.02848	5.4
86.00008	1.5
87.00768	1.9
87.04411	5.8
89.02325	9.1
89.19921	0.9
95.01289	1.3
95.04919	1.7
98.19850	1.2
99.00785	1.8
101.02347	16.6
101.05995	1.4
113.02370	10.7
113.05997	33.8
119.03411	3.6
120.40542	1.0
131.03410	1.6
143.03387	1.3
149.04482	1.2
161.04504	7.3
165.09158	12.6
176.09950	0.9
179.05450	1.0
183.10217	3.6
206.38338	0.9
245.10266	1.3
282.98694	1.1
299.44128	1.0
324.90991	0.9
405.17853	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	405.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.5
59.01263	100.0
60.01601	1.0
69.03336	3.2
71.01266	3.1
71.04887	1.3
71.15420	0.5
73.02839	0.7
78.55354	0.3
81.03290	0.3
85.02848	1.2
89.02331	2.5
90.01410	0.2
93.03378	0.4
95.01292	0.5
97.06477	0.3
101.02342	2.9
111.08064	1.0
113.02350	3.2
113.06003	0.5
119.03388	2.0
121.02822	0.3
123.08088	0.5
127.07590	0.4
137.02400	0.3
137.05965	0.4
139.11208	6.3
140.11514	0.3
161.04530	2.0
168.25340	0.3
174.81181	0.3
179.03351	0.3
179.05594	0.9
183.10225	61.8
184.10579	4.2
191.05536	0.9
197.11731	0.7
203.92883	0.3
221.06531	0.4
225.11305	2.2
249.19417	0.3
255.12424	0.4
256.29929	0.3
288.63626	0.3
345.15524	2.2
363.16391	0.5
405.17300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48574	0.6
57.03336	100.0
58.00481	1.2
58.03677	1.4
59.01263	80.7
60.01616	0.8
69.03365	0.9
69.22391	3.6
69.22824	3.3
71.01269	23.3
72.99187	1.3
73.02834	11.4
73.43208	0.5
75.00787	0.6
81.03350	1.2
83.01280	4.5
85.02825	3.0
87.00748	1.6
89.02332	18.5
93.03323	0.8
95.01263	1.0
97.02849	0.6
97.06486	0.6
98.20561	1.3
99.00775	0.8
99.04415	71.8
100.04740	2.5
101.02345	35.7
113.02368	9.1
113.05981	1.4
119.03415	6.7
123.04409	4.5
124.12050	0.6
125.02367	22.3
126.02631	0.6
131.03392	1.9
135.04398	0.7
141.05449	1.2
143.03442	3.3
149.04420	1.9
153.05508	0.9
161.02335	1.0
161.04494	5.7
179.05583	5.6
191.05463	0.8
203.05411	0.6
221.06543	0.7
261.13242	2.2
303.14078	0.7
343.17535	0.9
390.85049	0.8
405.17377	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	405.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95039	0.8
55.01736	0.8
57.28403	0.7
59.01264	22.3
61.98715	3.9
71.01276	6.6
71.04915	1.2
71.57282	1.0
73.02837	3.7
75.00779	0.8
77.32412	0.8
83.01311	2.1
83.04922	3.1
84.02081	1.0
85.02843	3.6
85.24094	0.8
87.00777	1.9
89.02342	2.0
93.03394	2.1
96.95930	2.4
97.02856	10.7
97.06521	2.4
99.00814	1.2
101.02354	5.4
109.02831	1.2
109.06508	1.4
109.65988	0.7
113.02378	2.5
120.99558	1.2
121.06512	1.2
123.08090	5.2
135.04471	1.7
149.09669	1.0
161.02399	1.0
161.04529	1.9
161.09709	1.4
163.03954	1.0
163.11226	4.7
165.12772	2.8
167.97188	0.9
174.43657	1.0
183.13852	0.9
189.09145	6.8
191.05473	1.1
201.14955	2.8
207.10240	1.2
209.11884	1.1
210.53619	0.8
271.20575	1.2
286.61816	1.0
287.20349	1.1
289.21854	1.8
292.88336	0.8
297.18646	1.3
301.18127	2.0
315.19775	10.8
317.17535	1.6
333.20789	100.0
334.21201	11.0
345.16788	5.1
363.20352	3.6
405.16199	1.6
405.20828	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	403.286
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
51.75814	0.2
54.23232	0.2
62.51078	0.2
67.01774	0.6
69.03343	4.2
69.49477	0.5
69.49893	1.0
71.04902	0.5
75.27583	0.2
76.99870	0.2
83.04916	22.0
84.05247	0.7
98.33231	0.2
99.04430	0.9
99.08078	0.3
100.04759	0.3
101.05984	33.6
102.06325	0.9
106.26431	0.2
128.95976	0.2
151.72383	0.2
165.12805	0.5
205.58748	0.2
265.15753	0.2
275.23904	2.7
276.24188	0.3
301.21805	6.5
302.22189	1.0
303.22369	0.4
319.22833	8.0
320.23178	1.4
321.23163	0.3
334.97543	0.2
403.28598	100.0
404.28934	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	403.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90114	0.3
54.20113	0.2
57.03360	0.3
59.01266	100.0
60.01591	1.1
61.98722	1.2
70.42004	0.9
85.02805	0.3
95.57708	0.2
98.20465	0.3
127.11258	0.4
137.09650	0.6
141.58890	0.2
145.20190	0.2
149.27939	0.3
153.12769	0.3
155.10742	0.6
201.15001	0.7
230.15228	0.4
273.42480	0.2
302.08948	0.2
343.28613	11.0
344.29056	1.5
389.88657	0.2
398.07773	0.3
403.03683	0.3
403.25220	0.9
408.11066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01942	1.3
57.03326	1.1
58.02851	6.1
59.00988	2.1
59.01267	28.7
71.01291	10.8
71.62356	1.7
72.62013	1.2
72.99191	2.7
73.02831	2.7
74.02368	18.6
74.36863	1.3
75.00775	2.9
82.02870	6.0
83.01261	3.8
83.14011	1.2
84.04423	2.0
85.02837	5.6
86.06031	1.5
87.00772	3.9
89.02340	7.1
93.03358	4.9
96.04447	9.1
96.95890	2.2
97.02877	2.0
97.03976	12.6
98.02374	7.0
99.00795	2.5
99.05551	12.3
100.00304	2.8
100.03934	2.1
101.02353	8.8
104.62808	1.2
108.03249	1.4
108.04472	9.1
109.04010	2.6
110.05956	1.7
111.04421	2.6
112.03934	6.4
112.07605	6.6
113.02348	4.2
113.03490	3.6
114.39870	1.4
116.01694	2.1
119.03432	2.4
119.04936	3.1
122.06030	3.9
123.04406	1.3
124.03980	10.8
125.02613	2.2
125.03498	20.6
127.05064	4.4
133.05905	1.9
133.06862	14.8
137.07140	15.6
138.05540	5.5
139.05093	8.7
140.07135	6.9
143.03482	1.7
143.04533	5.5
145.02919	1.6
147.05580	5.2
151.03978	1.6
151.05061	2.4
151.80685	1.2
152.03465	6.7
155.08226	12.0
161.04500	2.2
163.03984	3.6
163.05168	2.3
165.01880	3.6
165.06641	15.6
173.04558	3.9
178.01364	4.3
180.04309	2.9
181.06256	6.6
183.07758	6.6
183.10153	2.3
191.05702	14.4
195.06616	3.8
196.02328	4.7
199.07060	1.5
203.05602	1.3
209.05725	13.2
225.05179	42.5
225.07550	2.9
227.06796	6.8
241.06282	1.4
247.41832	1.4
251.77046	1.6
253.04701	100.0
254.04984	7.4
271.05743	14.4
311.10727	1.6
329.11380	3.5
343.13239	2.0
345.15601	2.7
387.12442	3.5
405.13367	53.7
405.17728	3.7
406.13531	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89274	0.4
57.03336	0.5
59.01266	100.0
60.01590	1.3
61.98726	1.6
63.31148	0.3
68.99704	1.3
71.01286	0.4
71.57310	0.5
71.57771	0.5
74.25301	0.4
83.01296	1.7
84.04099	0.4
85.02856	0.9
87.00778	7.0
87.04436	0.5
92.92698	2.3
99.04425	1.2
101.05998	0.8
109.06556	0.4
122.03319	0.4
133.02905	0.5
135.04475	0.4
161.02461	0.7
191.05658	0.5
303.19678	0.6
315.20062	0.5
333.20844	0.8
359.22504	0.6
403.21237	1.4
403.28671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61557	0.2
59.01266	100.0
60.01629	1.1
61.98733	0.5
70.02579	1.2
75.79685	0.2
87.00770	1.5
98.04813	0.2
142.78252	0.2
161.02452	0.3
184.64815	0.2
221.73849	0.2
272.58737	0.2
293.21588	0.3
311.22577	0.3
403.21167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.2
59.01257	1.2
61.98711	0.5
71.57960	0.3
78.95798	0.3
80.77081	0.2
83.04900	0.3
85.02841	100.0
86.03176	2.0
87.00758	0.9
87.04460	0.1
99.04444	0.8
101.05975	0.3
112.29584	0.2
113.02338	0.2
118.35716	0.1
121.72069	0.1
219.13876	0.2
259.20679	0.6
303.19672	0.2
317.21234	0.5
321.24283	0.2
372.84485	0.1
385.23956	0.4
403.24689	5.0
404.25287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.8
59.01267	2.5
61.98700	0.7
67.01756	0.4
69.03335	0.9
71.01272	0.5
71.57969	0.6
83.04892	0.6
85.02843	100.0
86.03186	2.3
87.00784	2.1
87.04420	1.6
92.36057	0.4
99.04406	2.0
107.79372	0.3
121.06528	0.5
123.08043	0.5
273.22223	0.7
277.25409	5.8
278.25708	0.4
289.21896	0.4
317.21371	1.7
319.22498	0.5
321.24368	1.6
333.20932	0.4
336.51990	0.4
343.22705	0.5
359.25909	3.9
403.24945	57.8
404.25317	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.3
55.85267	0.1
56.18699	0.1
57.03338	0.5
57.94169	0.1
58.25787	0.1
59.01261	0.4
60.99164	0.2
61.98710	1.0
63.24606	0.1
69.03376	0.1
69.73388	0.9
73.02818	0.7
83.04910	0.4
85.02843	100.0
86.03174	2.3
87.00780	0.5
87.04406	0.7
97.06519	0.1
98.19888	0.2
99.04411	1.1
101.02362	0.6
109.06433	0.2
203.14400	0.2
219.13867	0.2
273.22202	0.4
289.21869	0.3
300.46097	0.1
301.21689	0.5
303.19675	0.6
317.21265	7.3
318.21552	1.0
359.26016	0.9
403.24808	9.9
404.25208	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01522	0.4
55.01773	3.6
59.01252	1.2
59.11410	0.3
59.11679	0.4
69.03337	0.8
69.48357	2.2
72.68165	0.3
73.02820	0.3
78.95798	0.4
83.04915	2.0
85.02845	65.8
86.03142	1.6
87.00775	1.4
99.04411	1.7
105.06973	0.5
109.06496	0.4
111.04454	0.5
123.08070	1.6
124.68882	0.3
161.02307	0.4
173.09665	0.4
191.48010	0.3
203.14441	0.3
252.71582	0.3
271.20810	0.5
273.22235	0.8
299.20206	3.2
300.20590	0.5
305.88373	0.3
317.21292	13.5
318.21805	1.4
359.26126	0.4
385.23871	1.9
386.24097	0.5
403.24969	100.0
404.25293	14.5
429.22232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	1.6
59.01270	3.5
61.98710	1.5
70.03719	0.2
70.37554	0.7
72.99229	0.2
79.05456	0.3
83.04923	5.4
85.02848	100.0
86.03175	2.3
87.00808	0.5
87.04422	0.4
91.92768	0.2
95.04967	0.3
102.62318	0.2
108.10947	0.3
108.65390	0.2
111.04449	0.3
121.02866	0.6
121.06488	0.3
133.06519	0.3
147.08109	0.5
149.09668	3.1
168.71710	0.3
186.34306	0.2
205.16034	0.5
233.15501	0.9
257.18890	0.4
273.22287	1.3
299.20117	0.3
317.21271	2.4
318.21475	0.3
321.23502	0.4
327.96088	0.3
385.23953	1.3
403.24951	47.8
404.20270	0.6
404.25311	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	403.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27788	0.3
51.37675	0.4
53.64369	0.4
55.01766	0.4
57.03332	2.1
59.01239	0.5
62.56947	0.4
64.58507	0.4
67.50954	0.5
69.03329	0.9
69.31977	0.4
70.63457	0.8
70.63830	0.7
72.82102	0.4
77.26920	0.4
83.04916	6.0
85.02842	40.1
86.03198	0.8
87.00768	0.4
87.04422	3.6
93.45171	0.4
97.06532	0.5
99.04411	1.0
111.08066	0.7
118.96726	0.4
119.04960	0.9
121.06508	95.7
122.06860	4.9
123.08075	3.6
125.09628	1.8
147.08095	2.4
155.04555	0.4
161.02451	0.5
163.11313	0.8
165.12779	1.5
169.15814	0.4
193.96014	0.4
219.17528	3.1
255.17680	0.6
261.22153	0.5
263.50784	0.4
271.20758	7.8
272.21149	0.9
273.22241	1.2
289.21799	61.2
290.22128	7.7
317.21313	4.2
357.24390	0.6
359.25845	3.9
360.26501	0.6
403.24976	100.0
404.25323	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	403.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	11.2
57.03338	0.5
62.43294	0.4
63.02710	0.3
63.87266	0.3
69.03350	1.5
70.00572	0.7
70.00989	1.3
78.21867	0.4
83.04924	6.6
85.02850	42.3
86.03210	0.7
109.06479	0.4
111.08086	1.1
121.06507	0.3
123.08085	3.5
149.09685	0.4
163.11249	0.5
271.20898	0.4
299.20123	0.4
317.21313	11.5
318.21765	1.6
401.75922	0.3
403.25000	100.0
404.25333	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	403.2498
Annotation	Briarellin R
Peak:m/z	Relative Intensity
57.03336	2.3
59.01256	1.1
61.98730	0.4
69.03342	15.1
70.03674	0.3
70.11252	0.3
71.04907	0.3
71.58247	0.4
76.11150	0.2
78.95806	0.3
83.04908	1.4
85.02850	4.3
87.00778	1.8
87.04409	100.0
88.04751	2.5
95.04910	0.2
97.06445	0.3
97.99989	0.4
99.04417	0.7
101.05988	0.5
103.64637	0.2
109.06499	5.1
121.06505	0.3
123.08159	0.3
149.09694	0.7
161.40245	0.3
163.11195	0.9
166.51045	0.2
179.10732	0.6
205.15891	0.3
219.17503	0.9
224.59091	0.3
231.17505	0.8
261.22314	0.4
271.20624	0.9
275.20120	2.0
276.20776	0.3
289.21796	30.0
290.22162	3.6
305.21225	0.5
319.19186	0.6
359.25995	4.5
360.26233	0.7
375.25345	0.9
403.24857	42.0
404.25217	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	403.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38627	0.6
55.01764	0.8
57.03315	0.9
59.01265	9.3
61.98719	18.5
67.19894	0.6
69.03345	6.2
69.57075	1.4
69.57479	3.9
71.01250	0.8
71.04910	19.9
72.05241	0.6
83.04871	2.6
83.21906	0.6
85.02843	60.8
86.03127	1.6
87.00747	1.9
95.04884	1.1
97.06467	2.4
99.04378	1.6
101.05955	2.6
106.04123	1.6
107.97028	0.6
109.06469	0.8
121.02805	0.8
121.06515	10.0
123.08084	17.1
125.09605	1.3
126.09795	0.6
135.08034	0.8
141.01529	0.7
149.09666	0.7
163.10043	1.0
163.11255	14.5
164.11610	0.9
175.11249	0.7
178.68948	0.6
191.14355	2.1
202.25056	0.7
203.14403	3.4
205.12108	0.7
205.15849	1.7
217.15971	3.4
219.13943	0.8
219.17551	6.4
245.18954	1.4
261.22052	0.9
263.16763	0.6
271.20709	5.3
272.20822	0.7
273.18387	0.6
273.22153	1.1
277.24561	0.6
289.21793	46.5
290.22137	5.9
317.21259	7.4
321.23376	0.9
359.25787	1.5
403.24722	100.0
404.25183	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	403.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51957	5.9
57.03344	8.6
59.01268	100.0
61.98714	28.4
66.03834	5.4
67.01776	19.6
69.03360	7.1
69.59735	44.7
71.01278	7.2
78.95771	14.5
79.78450	5.8
80.62625	6.6
83.04897	13.8
85.02848	24.7
87.00771	68.8
98.19801	11.0
99.04432	37.0
101.05998	17.0
103.82393	6.9
107.04988	7.5
113.08800	5.3
121.02994	6.2
121.06495	9.2
133.02866	16.8
134.03670	9.1
135.04457	16.0
140.98839	5.6
152.99510	25.3
161.02393	38.9
166.09734	6.2
172.27541	6.4
179.03522	11.9
191.05476	9.1
271.20761	6.4
289.21802	13.5
301.21881	11.4
303.19510	7.0
321.16989	15.6
333.20590	12.9
403.20532	11.8
403.24347	55.3
403.28699	25.9
422.73764	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	403.2484
Annotation	plakortolide S
Peak:m/z	Relative Intensity
51.07697	0.4
57.03330	1.7
59.01267	9.0
61.36693	0.5
61.98716	3.6
62.08535	0.4
66.72822	0.4
68.27888	0.5
69.03344	4.4
71.01279	0.5
71.59406	0.8
73.42310	0.4
75.55438	0.5
83.04893	0.5
85.02843	100.0
86.03178	3.2
87.00780	0.5
87.03264	0.9
87.04414	6.8
92.16658	0.4
96.95744	0.5
97.06507	0.5
110.10868	0.4
126.24387	0.5
177.12814	5.5
193.15953	19.3
194.16322	1.4
250.94621	0.5
261.22266	2.5
271.20755	0.5
277.25421	52.9
278.25754	6.8
295.04303	0.6
320.44418	0.5
321.24426	30.3
322.24609	3.9
327.19843	0.5
341.24664	0.5
359.26025	0.9
403.24725	82.4
404.25082	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	403.2499
Annotation	plakortolide S
Peak:m/z	Relative Intensity
57.03323	3.1
59.01265	4.7
61.98712	4.4
62.49780	0.8
68.68758	0.8
69.03341	0.9
71.57775	1.1
71.58203	0.8
81.18881	0.8
83.04878	1.3
84.58352	0.7
85.02846	100.0
86.03158	2.2
87.00766	2.9
87.04386	1.6
99.04402	1.7
99.20051	0.8
109.06490	1.0
153.51157	0.9
273.22107	1.2
317.21173	6.2
343.11478	1.0
359.25955	1.8
403.24908	83.3
404.25253	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	403.25
Annotation	plakortolide S
Peak:m/z	Relative Intensity
55.01768	0.5
57.03329	0.2
59.01265	3.1
60.01606	0.2
61.98721	0.8
71.57668	0.3
83.04906	1.2
85.02845	100.0
86.03171	2.0
87.00774	0.5
97.06526	0.3
99.04414	0.3
107.04933	0.3
109.06441	0.2
111.04420	0.4
111.08091	0.3
121.06515	1.8
121.10889	0.2
123.08086	0.5
133.06435	0.3
141.01711	0.2
149.76128	0.2
201.12805	0.4
203.14403	1.5
205.15930	0.5
271.20795	0.5
299.20200	0.5
317.21295	4.3
318.21692	0.7
343.28503	0.9
344.29187	0.2
403.24982	64.0
404.25320	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	403.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
61.98700	17.5
71.59800	14.7
78.95802	16.1
85.02820	13.8
87.00785	66.4
93.86961	7.2
93.97584	7.2
96.95925	8.4
97.17024	6.8
99.04429	19.7
99.13519	7.5
121.06511	13.2
133.02853	10.5
135.04420	18.9
140.35284	7.1
149.78246	8.2
152.99500	31.4
161.02371	35.9
179.03455	11.6
179.47363	8.1
197.96796	6.7
235.94928	8.4
289.21848	13.9
393.22571	7.8
403.24344	48.2
418.83475	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	403.2135
Annotation	CHEBI:67678
Peak:m/z	Relative Intensity
53.32497	1.0
55.01764	1.8
57.03341	23.1
59.01267	8.9
61.98720	4.9
68.86346	1.3
69.03339	6.3
69.54957	5.7
69.55368	2.3
71.01263	3.1
71.04908	1.2
81.03355	2.2
83.04917	4.3
85.02843	11.3
87.00776	41.1
87.04419	1.5
89.76110	1.1
95.01243	1.2
95.04941	2.2
97.02843	3.8
97.06517	2.6
98.19831	2.6
99.00780	2.8
99.04424	20.9
101.02349	2.7
101.05981	1.6
107.04945	1.5
109.06502	43.3
111.00706	1.1
111.04462	1.8
111.08076	2.3
118.57375	1.1
121.06528	5.7
123.08076	4.2
124.01537	1.5
124.05192	1.4
135.08066	1.8
137.09621	1.4
151.11266	2.3
163.11209	7.9
177.12915	1.1
179.10730	4.8
203.14375	2.8
205.15953	3.5
219.17567	6.2
231.17487	3.2
261.22244	2.9
271.20755	6.6
275.20023	2.4
289.21826	91.0
290.22064	10.2
303.19641	7.0
304.20273	1.3
313.21802	6.8
315.19672	3.4
317.21100	2.2
331.22888	12.9
332.23108	1.7
333.20682	2.6
359.22345	29.5
359.26099	2.2
360.22623	3.7
402.27563	1.5
403.21274	100.0
403.25204	19.8
404.21259	15.7
404.25244	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	403.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	3.0
59.01262	6.1
61.98718	4.9
68.99700	1.4
69.03330	0.7
71.01287	1.1
71.57241	0.9
73.02819	0.9
83.04922	2.3
85.02849	13.7
87.00775	100.0
88.01115	2.0
89.02355	0.9
97.02860	1.6
97.06502	1.0
99.04428	4.9
101.02377	0.8
101.05984	0.6
107.04990	0.6
111.04423	1.4
111.08025	0.9
121.06515	36.5
122.06821	1.1
123.08103	3.0
130.08760	0.7
131.95679	0.5
135.04445	1.5
139.07584	1.7
147.08092	1.8
149.06059	1.0
149.09644	1.8
151.11235	0.8
159.04567	0.7
163.11230	1.6
165.12808	3.3
173.06047	11.1
174.06833	56.9
175.07481	6.6
177.05481	1.1
191.05589	0.6
191.07127	3.7
209.11812	4.7
211.13440	1.0
215.10718	1.8
219.17374	0.8
222.49138	0.6
247.13391	0.6
271.17163	1.4
271.20612	3.7
272.20981	0.7
273.18610	3.6
287.20096	1.3
289.21777	7.3
303.19769	3.0
313.18292	0.9
313.21744	1.2
315.19705	1.4
323.20343	2.7
329.23132	1.0
331.22546	0.7
333.20630	2.5
341.21289	13.8
342.21500	1.8
346.07178	0.6
359.22369	10.0
360.22559	1.1
385.20297	7.5
386.20264	0.8
403.21051	62.0
403.25031	6.1
404.21262	8.4
404.25339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06414	0.1
57.03329	0.2
59.01266	0.9
61.98739	0.1
69.03349	0.4
70.97157	0.4
82.84599	0.1
83.01266	0.2
83.04919	1.0
85.02850	0.2
87.00771	100.0
87.04392	0.4
88.01104	1.6
91.84415	0.1
97.02849	3.0
97.06499	0.8
99.04430	1.0
107.04951	0.2
109.02853	0.2
109.06476	0.3
111.04416	0.2
121.06501	0.3
122.03615	0.2
123.08074	1.5
135.04414	0.2
135.08110	0.2
145.10104	0.3
149.09630	0.2
161.02345	0.2
161.09598	0.4
163.11249	1.1
165.09178	0.1
165.12738	0.4
173.05980	0.2
175.07585	0.3
187.07527	0.3
189.09181	1.7
191.10738	0.2
207.10188	0.3
235.09749	0.5
273.18384	0.1
277.86084	0.1
278.18265	0.2
287.20032	0.5
296.51181	0.1
297.18439	0.4
303.19577	0.4
315.19754	2.5
316.19843	0.4
319.22626	0.1
333.20786	14.3
334.21127	1.6
357.21036	0.1
371.11011	0.1
375.21405	0.3
403.20956	6.4
403.25027	0.7
404.21484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
71.01251	23.8
78.95771	16.1
86.13501	15.0
87.00771	49.8
98.19846	39.3
99.04377	14.4
121.02876	38.7
137.00136	14.4
161.02364	24.9
255.13960	15.8
318.05615	15.6
320.81073	16.2
403.09470	17.4
403.23141	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	3.0
59.01262	6.1
61.98718	4.9
68.99700	1.4
69.03330	0.7
71.01287	1.1
71.57241	0.9
73.02819	0.9
83.04922	2.3
85.02849	13.7
87.00775	100.0
88.01115	2.0
89.02355	0.9
97.02860	1.6
97.06502	1.0
99.04428	4.9
101.02377	0.8
101.05984	0.6
107.04990	0.6
111.04423	1.4
111.08025	0.9
121.06515	36.5
122.06821	1.1
123.08103	3.0
130.08760	0.7
131.95679	0.5
135.04445	1.5
139.07584	1.7
147.08092	1.8
149.06059	1.0
149.09644	1.8
151.11235	0.8
159.04567	0.7
163.11230	1.6
165.12808	3.3
173.06047	11.1
174.06833	56.9
175.07481	6.6
177.05481	1.1
191.05589	0.6
191.07127	3.7
209.11812	4.7
211.13440	1.0
215.10718	1.8
219.17374	0.8
222.49138	0.6
247.13391	0.6
271.17163	1.4
271.20612	3.7
272.20981	0.7
273.18610	3.6
287.20096	1.3
289.21777	7.3
303.19769	3.0
313.18292	0.9
313.21744	1.2
315.19705	1.4
323.20343	2.7
329.23132	1.0
331.22546	0.7
333.20630	2.5
341.21289	13.8
342.21500	1.8
346.07178	0.6
359.22369	10.0
360.22559	1.1
385.20297	7.5
386.20264	0.8
403.21051	62.0
403.25031	6.1
404.21262	8.4
404.25339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
61.98704	1.7
69.95277	9.2
87.00780	3.2
106.20643	1.9
138.86639	1.9
139.11250	2.3
171.10240	4.0
213.11470	1.8
228.24916	2.2
329.23367	14.1
376.42056	1.7
403.21841	2.3
403.27939	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	403.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46984	4.3
59.00986	9.4
59.01266	100.0
61.98719	11.7
66.96790	5.3
69.35068	28.3
69.35497	21.3
71.01273	12.9
73.02831	5.8
87.00764	38.1
98.19778	8.7
99.04420	6.8
101.02347	6.1
117.00512	5.0
121.02966	6.0
133.02893	12.5
135.04449	10.3
137.02414	5.4
161.02347	8.4
173.04543	5.2
174.06870	6.9
174.79869	6.2
176.04048	5.6
179.03510	6.3
181.08730	5.3
191.05457	5.2
192.36154	5.4
306.07562	14.9
311.04169	4.9
403.21094	20.3
403.28082	6.9
423.06277	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	403.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	64.4
60.90315	5.7
69.03294	8.5
69.44383	59.1
71.01270	22.9
77.09305	5.7
134.03622	6.6
181.08655	52.6
203.10703	21.4
246.66154	7.1
306.07452	8.0
329.21216	19.5
335.42297	7.4
336.26773	6.7
359.22385	13.0
373.20367	20.0
385.20432	8.6
403.21454	100.0
404.21378	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1983
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
52.82507	0.8
55.01766	0.9
56.96177	0.9
57.03341	1.4
58.00477	3.2
59.01266	100.0
61.98713	2.3
71.01273	47.0
71.61063	1.1
71.61407	0.9
72.99191	3.9
73.02845	1.3
75.00762	1.2
77.18777	0.9
79.71078	0.8
83.01273	1.7
85.02839	10.6
87.00770	9.4
88.01080	0.9
89.02341	50.5
93.03343	1.3
95.01296	3.8
96.06062	0.8
97.06461	0.9
99.00776	1.0
101.02348	28.5
113.02362	17.5
119.03428	23.1
131.03416	2.1
133.02885	2.9
134.03645	2.3
137.02356	1.6
143.03424	3.1
149.04509	1.8
159.83673	0.9
161.04460	2.0
165.12817	1.5
167.11067	0.8
178.02698	3.4
179.03395	0.9
179.05579	6.2
179.62808	0.8
183.13867	3.8
186.09424	0.9
191.05565	4.5
192.05928	0.9
199.04050	1.4
213.14925	1.6
223.13400	36.0
224.13696	3.1
227.12878	4.7
241.14531	1.4
255.19775	1.1
258.39108	1.0
306.07581	6.1
403.19830	34.6
404.20197	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	403.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99461	7.9
59.01264	100.0
61.98707	12.5
68.99730	11.0
71.01252	14.1
71.31521	6.3
78.95797	10.1
85.02833	8.1
87.00786	47.1
88.32867	7.0
99.04408	11.6
101.02319	7.8
102.98461	11.4
135.04468	8.7
161.02415	10.9
174.06837	7.6
179.03429	15.9
191.05579	19.8
195.15675	6.7
199.07626	24.4
220.57916	6.9
310.58298	7.0
316.09494	6.8
329.23581	8.1
403.28021	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	403.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32799	7.6
59.01263	100.0
62.62016	9.3
71.01279	38.2
71.55816	13.8
78.87732	8.6
78.95785	17.9
85.02872	13.1
85.26094	7.5
87.00748	7.2
89.02345	26.8
93.03370	8.4
93.08015	7.5
96.95930	11.5
96.96832	19.6
101.02351	29.0
113.02349	14.3
119.46407	7.7
123.08083	9.5
138.17857	8.9
143.04651	9.2
148.33595	8.1
161.04489	12.9
163.07558	10.4
173.04471	10.5
181.08638	14.9
191.05453	20.7
223.09769	24.9
235.11836	10.0
249.09146	11.4
326.80777	9.4
367.16315	45.5
403.16696	64.2
404.15521	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	403.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.5
58.66375	0.4
59.01266	55.4
60.01606	1.1
62.58189	0.4
66.40055	0.4
69.03340	0.5
71.01275	4.7
71.58494	0.5
72.99203	0.5
73.02848	1.7
75.00748	0.8
81.06989	0.7
83.04928	0.5
85.02863	2.1
85.34872	0.4
87.00779	1.6
89.02341	4.0
93.03387	0.5
96.95953	0.6
99.04420	0.7
101.02357	3.4
107.04927	2.2
108.02076	0.4
109.02868	2.7
113.02370	2.7
117.14685	0.4
119.03416	2.0
119.08495	0.4
130.18124	0.4
137.09653	1.1
143.03415	0.5
148.22688	0.4
153.01883	5.3
159.36241	0.4
161.02473	0.6
161.04453	1.0
163.07619	4.7
181.08673	100.0
182.00412	1.3
182.09007	6.3
191.05568	0.8
197.02757	1.1
199.09770	0.8
211.04425	0.4
223.09821	0.5
241.05457	1.5
249.06161	0.8
267.07190	0.6
343.14108	5.7
344.14291	0.8
402.27237	0.5
403.08710	2.1
403.16074	1.6
403.28012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	88.4
61.98703	15.2
67.36819	5.2
71.01260	28.9
71.07868	11.4
72.99227	7.4
73.02845	7.2
78.95780	13.5
85.02832	11.1
87.00755	8.6
89.02345	25.4
93.03349	13.5
94.46762	5.7
96.95911	5.7
96.96866	14.7
98.66314	4.9
101.02344	27.0
109.02863	100.0
113.02340	15.6
119.03419	8.6
119.04864	9.4
124.02238	5.7
125.02398	19.8
125.20137	4.7
129.82355	5.3
130.39830	4.9
134.02734	4.5
152.01706	8.2
153.02045	5.9
161.04527	7.2
163.03908	6.0
165.87834	5.2
173.04517	7.8
181.05037	8.6
191.05638	32.4
233.06819	7.4
293.08786	11.8
306.07916	7.1
367.16095	72.3
403.13501	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57985	1.3
57.44097	1.2
59.01258	9.2
61.98741	1.6
62.57258	1.5
63.50737	1.2
69.87141	8.6
71.01259	3.5
78.95798	40.2
84.11903	1.3
87.00790	1.8
93.03334	4.3
95.04861	1.3
96.96864	34.3
104.04961	1.9
108.04453	2.1
110.01156	1.4
119.04951	2.5
122.06007	9.3
124.07630	2.0
130.02892	3.5
132.04491	23.1
135.92537	1.3
143.04553	1.7
146.02382	1.8
146.06030	2.9
147.03177	5.2
148.03955	3.2
150.05498	4.9
158.02438	11.1
160.04007	13.5
161.04543	1.7
162.05539	5.8
163.03983	2.0
170.05737	1.8
172.11206	1.5
173.04539	3.1
174.05602	1.7
176.03503	14.7
176.07002	1.7
183.09126	2.1
184.06252	1.9
184.07680	2.0
190.05067	24.8
191.05598	11.0
196.11389	2.8
199.04964	1.8
206.08072	1.3
209.07149	2.7
211.08760	1.5
211.12486	8.2
212.05853	2.9
212.10750	5.0
213.06526	1.8
215.11862	5.7
220.02496	2.9
223.08752	6.0
224.09543	18.8
225.06427	2.0
225.09920	3.0
226.07518	3.4
227.08260	7.1
233.09502	26.9
234.04108	4.6
234.09796	6.9
235.04688	1.5
239.08202	3.4
239.11926	36.5
240.10565	7.1
240.12419	2.8
241.09808	13.1
249.09036	4.0
250.07462	2.5
252.05418	2.3
253.06229	31.2
254.06743	4.8
255.07739	6.0
255.11446	11.4
256.08466	2.6
265.09787	4.2
267.07730	8.5
268.08588	15.9
281.09384	8.6
283.10941	81.0
284.11292	8.2
287.10623	1.7
299.07004	1.8
309.08832	23.4
311.06735	1.5
315.13547	2.4
327.09937	100.0
328.10251	9.4
341.11530	3.9
353.07803	2.6
359.12497	5.1
371.08917	90.1
372.09290	12.1
403.11511	81.6
403.23376	3.5
404.11697	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	403.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01370	0.5
59.01266	4.3
70.33291	1.0
70.33680	1.0
71.01273	1.4
73.02824	0.8
78.95799	30.8
80.04942	2.7
81.03374	0.5
84.04450	0.5
85.02858	0.7
87.00776	1.4
92.02415	0.5
93.03366	1.6
94.04950	0.6
94.06516	0.6
95.02414	0.7
95.04942	0.8
96.95898	1.2
96.96869	28.1
98.19849	0.6
101.02356	0.9
104.04951	0.7
104.36822	0.5
108.04469	1.4
111.04427	0.7
116.04966	1.0
119.04949	1.0
120.04461	0.6
122.06049	8.5
124.07597	1.8
130.02904	1.7
131.03621	0.7
132.04488	20.1
133.04807	1.0
135.04466	0.7
136.03938	0.6
136.61868	0.5
146.02408	1.4
146.06116	1.0
147.03227	4.0
148.03973	2.1
150.05540	4.6
158.02440	6.3
158.06050	0.6
160.04002	10.1
161.04718	2.3
162.05600	4.4
163.03946	0.7
170.05811	0.5
170.09833	0.7
173.04607	1.1
174.05606	2.6
175.02742	1.5
176.03506	11.0
176.07106	3.7
177.02052	0.5
177.03728	0.9
180.08128	0.6
182.06178	0.5
183.09238	1.5
184.07706	2.8
185.07072	0.7
187.05093	0.7
190.05078	17.0
191.02199	0.5
191.05635	5.9
192.06364	0.7
195.09247	0.9
196.11327	2.0
197.04823	0.8
197.07034	0.8
198.04335	1.9
198.09341	0.9
199.04991	1.1
199.08760	1.5
204.02980	1.9
209.07193	3.2
209.10861	0.8
210.07666	0.6
210.09431	0.6
210.74519	0.5
211.04877	1.2
211.06662	0.9
211.08774	1.6
211.12384	5.7
212.05627	3.7
212.10855	3.6
213.06688	2.6
213.10255	1.1
215.11882	5.8
220.02589	1.7
222.09254	1.3
223.04927	0.9
223.08772	5.5
224.07187	1.6
224.09520	14.6
225.06516	1.6
225.07985	2.8
225.10048	1.0
226.07359	3.4
227.08276	9.1
227.11838	0.8
233.09506	19.8
234.04140	2.0
234.09869	3.6
235.05054	0.7
237.10339	1.6
238.08719	1.6
239.04561	1.3
239.08342	4.7
239.11923	29.9
240.05322	1.0
240.10260	8.2
240.12393	1.4
241.09842	11.6
242.10234	0.9
243.11429	0.7
249.06787	0.8
249.08969	3.9
250.07481	2.2
251.08139	0.5
252.05368	2.3
253.06236	26.5
253.09966	1.2
254.03510	0.7
254.06573	3.6
255.07791	5.0
255.11438	8.2
256.08301	2.4
256.11960	0.8
259.10760	0.8
265.09732	2.4
266.07709	0.9
267.07742	6.4
267.10068	0.8
268.08560	10.7
269.09198	1.3
271.07376	1.1
281.09406	9.0
282.09766	1.0
283.10947	66.9
284.11340	7.8
287.10413	0.8
294.06714	1.5
297.05188	0.9
299.10495	0.8
309.08908	22.1
310.09125	2.9
311.06757	1.1
315.13608	1.9
327.09946	77.0
328.10257	8.3
341.11624	3.1
342.12064	0.9
353.07956	3.9
359.12595	3.2
371.08932	100.0
372.09232	13.2
385.10403	1.1
403.11551	55.8
403.20087	2.2
404.11813	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	403.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54515	0.9
57.03337	2.3
59.01258	10.6
60.99180	2.0
65.03851	1.1
67.01771	7.3
69.03352	1.8
70.78225	3.7
71.01253	6.2
72.99197	32.4
73.02831	2.1
81.03349	2.2
83.04912	2.3
85.02837	15.3
87.00777	12.1
88.01142	1.1
89.02311	2.4
93.03357	47.7
95.01298	1.8
95.04942	1.1
96.95916	2.1
97.02782	1.0
99.00798	1.3
99.04388	1.7
108.02067	1.8
109.02875	5.4
111.04420	7.0
113.02370	1.3
121.02830	6.4
123.00770	1.6
123.04413	3.1
124.01572	3.3
125.02380	1.4
127.03939	2.6
129.01917	1.5
133.02838	1.5
136.01573	6.3
137.02376	54.2
138.02684	2.3
139.00308	1.9
139.03926	7.1
149.02412	9.4
155.03439	1.7
161.09673	1.6
165.01823	2.0
167.03499	7.1
173.04504	44.9
173.06009	2.2
173.84808	1.2
174.04865	1.9
177.01907	1.5
179.10808	1.9
187.66837	1.2
191.05580	100.0
192.05975	4.4
193.01431	10.8
207.41666	1.2
211.02492	2.4
229.03751	1.3
244.00171	1.3
247.04614	15.4
248.04938	1.5
261.51651	1.1
369.08020	1.9
385.07779	2.2
402.27374	4.0
403.08844	4.3
403.16257	11.1
403.28217	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52484	2.3
55.99146	2.1
59.01264	20.6
67.01773	5.6
70.27129	5.5
70.27515	5.5
71.01274	8.8
72.99200	31.3
81.03361	5.2
85.02840	16.8
87.00777	12.7
89.02342	5.8
93.03355	39.5
99.04432	4.8
106.89242	2.8
108.02102	2.6
109.02866	6.6
111.04433	7.5
121.02898	5.3
123.00855	3.6
123.04415	4.5
124.01614	4.3
127.03867	2.6
130.53625	2.3
136.01602	4.7
136.53453	2.7
137.02377	50.4
139.03931	4.0
149.02396	6.9
149.18954	2.6
161.17310	2.5
165.61761	2.4
167.03450	8.1
173.04489	49.0
191.05592	100.0
192.06020	2.8
193.01378	11.0
211.02515	2.9
247.04671	17.5
367.52448	3.0
380.75110	2.4
385.07999	4.2
402.27417	8.9
403.08813	5.0
403.16388	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	403.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
59.01265	16.2
65.68760	1.2
67.01786	6.0
68.79295	1.1
69.03349	3.4
71.01259	7.7
71.57478	1.1
71.57899	2.2
72.99200	17.2
73.02852	1.2
75.00755	1.6
81.03345	2.8
83.02390	1.9
83.04955	1.7
85.02852	15.4
87.00782	12.0
87.21972	1.2
89.02339	2.8
93.03358	35.9
95.04911	2.5
97.02856	2.5
99.00768	1.9
101.02354	2.9
106.44544	1.2
108.02071	1.7
109.02874	5.8
111.00862	1.4
111.04441	8.0
111.36887	1.3
113.02371	2.0
116.53132	1.1
119.04929	2.0
121.02895	7.2
123.00757	2.2
123.04458	6.4
123.08057	2.3
124.01530	1.9
125.02365	4.1
127.03945	3.5
127.99724	1.2
128.03452	3.5
135.04573	1.2
136.01559	2.1
137.02386	27.7
139.03981	5.9
143.04575	5.8
149.02362	6.0
153.01967	1.5
153.75508	1.3
155.03510	2.0
163.04005	2.9
165.01862	2.5
167.03461	5.5
171.02960	2.4
173.04518	27.9
174.04964	1.4
191.05588	100.0
192.05940	5.6
193.01399	5.7
211.02368	3.1
247.04727	6.0
272.08984	1.6
306.07758	3.6
402.27115	2.0
403.16052	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	403.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
59.01265	16.2
65.68760	1.2
67.01786	6.0
68.79295	1.1
69.03349	3.4
71.01259	7.7
71.57478	1.1
71.57899	2.2
72.99200	17.2
73.02852	1.2
75.00755	1.6
81.03345	2.8
83.02390	1.9
83.04955	1.7
85.02852	15.4
87.00782	12.0
87.21972	1.2
89.02339	2.8
93.03358	35.9
95.04911	2.5
97.02856	2.5
99.00768	1.9
101.02354	2.9
106.44544	1.2
108.02071	1.7
109.02874	5.8
111.00862	1.4
111.04441	8.0
111.36887	1.3
113.02371	2.0
116.53132	1.1
119.04929	2.0
121.02895	7.2
123.00757	2.2
123.04458	6.4
123.08057	2.3
124.01530	1.9
125.02365	4.1
127.03945	3.5
127.99724	1.2
128.03452	3.5
135.04573	1.2
136.01559	2.1
137.02386	27.7
139.03981	5.9
143.04575	5.8
149.02362	6.0
153.01967	1.5
153.75508	1.3
155.03510	2.0
163.04005	2.9
165.01862	2.5
167.03461	5.5
171.02960	2.4
173.04518	27.9
174.04964	1.4
191.05588	100.0
192.05940	5.6
193.01399	5.7
211.02368	3.1
247.04727	6.0
272.08984	1.6
306.07758	3.6
402.27115	2.0
403.16052	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	402.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	6.7
56.02110	1.7
57.03331	5.9
58.00471	2.7
58.03685	1.4
59.01267	48.9
60.01625	5.2
60.81936	0.8
69.03345	2.5
71.01273	99.5
71.36706	1.5
72.01609	18.2
72.99194	4.7
73.01714	1.3
73.02836	42.5
74.03173	8.3
75.00768	3.6
81.03351	0.9
82.72743	0.9
83.01286	15.3
84.01617	4.6
85.02846	44.7
86.03179	12.7
87.00774	6.3
88.01138	1.8
88.45275	1.0
89.02335	17.3
90.02678	3.2
93.03335	1.0
95.01281	4.7
96.01624	3.4
97.02303	0.9
97.02843	4.7
98.03214	1.7
99.00780	17.8
99.04433	2.2
100.01125	5.9
101.02350	70.5
102.02684	20.3
103.02763	2.0
111.00771	2.1
112.01106	0.8
113.02361	31.3
114.02713	12.5
115.02852	0.9
115.03919	3.2
119.03477	1.0
123.08092	2.5
125.02376	7.5
126.02731	2.9
129.01859	2.2
129.03712	1.2
131.03416	3.9
132.03728	1.3
143.03485	4.1
143.04492	0.9
144.03790	1.9
144.23656	0.8
149.04489	2.0
158.65359	0.8
159.02960	5.3
160.03302	2.0
161.04509	32.2
161.05843	1.8
162.04857	17.0
163.04909	1.0
191.05655	4.0
205.03481	1.1
233.06734	3.3
234.07054	2.6
269.10373	26.1
270.10709	66.6
271.10889	4.3
273.09576	1.1
293.08789	1.2
294.09158	2.3
345.97275	1.0
401.27100	1.1
402.14957	100.0
403.15341	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
69.03345	6.3
71.04922	0.5
71.15937	0.7
81.03352	6.1
89.00474	0.2
91.92448	0.3
98.20400	0.3
99.04420	37.5
100.04765	1.3
102.13624	0.2
111.70020	0.2
120.08299	0.2
165.12708	0.4
183.54688	0.3
273.22278	0.5
275.23840	4.0
301.21783	18.5
302.22113	2.9
306.47726	0.3
319.22864	10.2
320.23203	1.5
357.28036	0.3
364.72443	0.3
401.27048	100.0
402.27429	15.3
403.99832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2705
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
55.01782	1.0
59.01262	2.5
67.01772	0.2
68.15208	0.2
69.03342	8.9
71.01278	0.6
71.04913	0.7
71.56949	0.2
81.03355	0.7
85.02823	0.4
89.02322	0.5
97.06489	1.2
99.04418	23.8
100.04755	0.7
101.02345	0.4
103.91887	0.2
111.04410	0.3
137.09624	0.3
156.61461	0.2
165.12776	0.8
166.90137	0.6
174.31799	0.2
179.05563	0.3
236.97205	0.4
241.11507	0.2
273.22253	0.5
275.23846	6.4
276.24179	0.9
289.06665	0.2
301.21774	11.5
302.22107	1.5
319.22833	7.4
320.23141	0.9
341.11050	1.0
357.28149	0.5
401.27032	100.0
402.27383	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	401.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12873	0.3
57.17029	0.3
59.01261	0.5
59.66274	0.3
67.83469	0.3
69.03349	0.9
70.59296	0.4
70.59635	0.8
72.97577	0.3
81.03341	3.7
99.04418	100.0
100.04733	2.8
101.06010	0.3
109.73188	0.3
273.22299	1.3
275.24002	2.0
276.49353	0.4
301.21790	26.8
302.18863	0.4
302.22147	3.2
309.93716	0.3
319.22748	1.7
357.28122	2.2
358.28326	0.4
401.27039	58.3
402.27362	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	401.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.9
59.32835	0.1
64.92465	0.2
69.03343	5.1
69.85703	0.1
71.04890	0.5
74.42425	0.1
92.40675	0.2
97.06501	0.9
98.19734	0.3
99.04417	19.6
99.38396	0.2
100.04753	0.3
125.09576	0.2
137.09622	0.3
165.12764	0.5
198.99168	0.1
273.22202	0.2
275.23849	5.0
276.24182	0.7
301.21774	10.2
302.22122	1.1
319.22821	5.4
320.23111	0.6
357.28165	0.5
401.27029	100.0
402.27390	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	401.2708
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
55.01765	0.8
62.19464	0.2
62.57061	0.2
65.18204	0.2
69.03346	4.8
71.04903	0.7
81.03339	0.4
85.38281	0.2
90.27486	0.2
97.06497	0.6
99.04423	45.8
100.04784	1.2
109.00694	0.2
111.04399	0.3
153.09840	0.2
165.12842	0.5
179.23186	0.2
192.98940	0.2
196.13913	0.3
275.23868	4.3
276.24246	0.4
301.21808	23.1
302.22141	3.0
319.22849	6.6
320.23209	0.9
391.19043	0.3
401.27054	100.0
402.27408	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	401.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
55.97034	0.2
69.03345	9.0
69.70394	0.9
69.70814	0.9
70.95943	0.3
71.04899	1.0
77.71185	0.2
79.60182	0.3
85.11265	0.3
97.06488	0.7
99.04420	16.2
100.04735	0.5
125.09726	0.3
137.09665	0.4
145.88118	0.3
162.48958	0.2
165.12848	0.8
209.50107	0.3
242.35547	0.3
273.22488	0.3
275.23889	5.8
276.24249	0.6
301.21817	9.4
302.22137	1.3
319.19461	0.5
319.22916	7.0
320.23373	0.6
357.28085	0.5
401.27051	100.0
402.27408	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	401.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.8
55.74168	0.3
57.03339	0.7
58.96510	0.2
59.01263	5.3
60.64196	0.3
61.98687	0.3
69.03351	0.8
71.01270	0.5
71.55962	0.4
74.86981	0.3
83.04909	4.2
85.02844	100.0
86.03179	2.3
87.04424	0.4
89.02342	1.0
89.11545	0.3
97.06510	0.4
99.04423	2.3
107.04916	0.4
111.04432	1.4
111.08065	0.6
113.02326	0.3
119.04895	0.4
121.02868	1.7
121.06511	19.1
122.06863	0.8
123.08070	2.6
133.06541	0.3
135.04439	0.7
137.09639	2.5
147.08070	0.5
149.09633	0.4
161.02322	1.0
176.03952	0.6
179.03412	0.5
179.05583	0.3
179.98021	0.3
181.06371	0.3
187.11244	0.4
189.09163	2.6
191.05504	0.5
201.12810	1.0
203.14348	1.7
217.15979	0.3
231.13966	0.5
245.15474	0.6
255.17593	0.4
271.20776	4.4
272.21118	0.6
273.18668	0.3
275.23969	0.3
287.20209	0.5
291.97574	0.3
301.21725	1.1
302.67755	0.3
307.08792	0.3
315.19730	16.8
316.20023	2.0
319.22876	0.7
339.23331	1.2
341.10754	0.7
357.24426	11.0
358.24664	1.4
383.22394	0.6
401.23248	62.4
402.23633	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	401.2344
Annotation	Dehydrocholic acid
Peak:m/z	Relative Intensity
50.63000	0.6
53.86814	0.6
55.01761	1.7
57.03336	1.4
59.01269	9.3
69.03347	9.3
70.82742	1.9
71.01289	5.0
71.04909	1.8
73.02818	0.7
79.05422	2.7
80.96423	1.2
83.04919	2.6
85.02848	100.0
85.23622	0.6
86.03182	1.9
89.02354	7.3
95.04929	2.7
97.02867	0.6
97.06496	14.4
97.99944	0.8
99.04424	12.5
101.02364	2.0
107.04932	1.2
109.06520	4.6
113.02382	1.6
119.03416	2.5
121.02899	5.8
121.06512	0.8
122.03664	9.0
123.08088	1.0
124.05251	1.8
125.06024	2.7
130.23344	0.7
135.04430	1.6
136.05280	1.1
150.06859	2.3
159.11703	1.1
161.04530	1.2
164.02448	0.6
177.12793	3.9
179.05588	3.0
190.37686	0.6
191.84019	0.6
198.03883	0.6
205.12344	2.4
224.96056	0.7
241.19682	0.7
243.12914	0.7
243.21176	1.1
245.19336	0.8
254.77715	0.6
259.20905	0.9
275.23883	2.9
276.24075	0.8
301.21872	8.1
301.25519	2.3
311.23923	3.7
313.07202	1.2
313.25482	40.5
314.25732	5.0
319.22794	4.1
329.24948	33.0
330.25354	4.2
339.23300	1.2
341.06970	1.1
341.10944	12.8
342.10852	1.0
357.24445	33.5
358.24759	3.5
373.24048	1.3
387.69391	0.8
401.09195	1.7
401.23376	52.2
401.27286	37.4
402.22842	7.0
402.28455	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	401.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31849	0.5
53.11142	0.5
55.01791	1.1
57.68393	0.6
59.01269	12.1
61.98724	1.0
69.03350	3.7
69.61738	0.5
69.97569	0.6
71.01269	6.8
71.60677	0.6
73.02834	0.7
79.02205	0.7
85.02847	3.8
89.02345	7.5
95.01292	0.8
97.06467	0.9
99.04424	13.1
101.02351	3.1
113.02362	3.1
119.03432	2.5
120.03717	0.6
121.02872	9.2
123.00813	3.2
124.01622	1.5
135.11314	0.6
143.03529	0.8
143.73022	0.6
151.00316	11.0
152.01097	100.0
153.01422	3.6
166.02673	4.7
167.03456	93.3
168.03827	3.8
179.05542	2.9
211.69743	0.5
214.34496	0.6
217.16150	0.8
217.95872	0.6
247.28162	0.8
275.23920	4.4
301.21741	5.6
307.47278	0.6
313.07230	1.7
319.22842	13.0
320.23120	1.4
341.10989	11.1
357.06198	0.9
401.08884	2.4
401.23187	30.6
401.27130	37.5
402.22922	4.5
402.28391	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	401.2342
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
55.01766	0.4
59.01262	1.4
65.03158	0.1
69.03344	1.0
69.72606	0.7
69.73020	0.3
71.01266	0.8
71.04919	0.3
78.95804	0.2
83.04919	0.3
84.35305	0.1
85.02843	100.0
86.03173	2.1
88.33511	0.2
89.02319	1.1
91.71355	0.1
92.05068	0.1
97.06507	0.1
99.04419	2.9
101.02341	0.6
107.72232	0.1
109.02861	0.5
110.87608	0.1
111.04401	0.3
111.70141	0.1
113.02367	0.2
113.08327	0.1
119.03421	0.3
121.02863	1.9
122.03648	0.3
147.82106	0.2
151.00316	0.3
152.49373	0.1
161.04558	0.2
166.02626	0.3
179.05627	0.3
179.07144	0.3
184.35602	0.1
233.11888	0.2
275.23785	1.0
301.21756	1.5
302.79697	0.1
313.07443	0.3
315.19748	1.0
319.22867	1.4
331.18851	0.2
341.10968	1.8
345.20911	0.7
357.05865	0.1
357.28455	0.2
401.09143	0.5
401.23309	20.4
401.27191	25.7
402.23639	3.6
402.27603	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	401.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01610	1.6
61.98727	1.0
67.01789	0.6
69.03348	1.1
69.61727	1.0
69.62138	2.9
70.00567	0.5
71.01270	9.9
72.99210	2.2
73.02856	0.6
78.95815	0.6
81.03328	0.6
85.02860	3.8
87.00752	3.1
89.02341	10.8
93.03356	4.2
95.01307	0.6
96.95885	0.6
97.02873	0.7
99.04425	4.7
101.02364	5.3
107.90894	0.6
109.02864	2.4
109.06580	0.6
109.91393	0.5
111.00807	0.6
111.04443	1.0
113.02367	4.1
114.76784	0.5
114.77669	0.7
119.03431	4.1
119.04924	0.8
121.02919	1.1
123.04478	1.2
125.02405	1.6
131.03380	0.8
133.03012	0.6
135.04477	0.5
137.02402	1.0
143.03456	1.0
153.01927	1.8
155.03484	0.8
161.04552	1.6
161.09680	0.7
165.05499	0.6
173.04604	1.6
177.09207	0.8
179.05659	1.8
180.43416	0.5
190.99966	0.5
191.05609	14.9
192.05980	1.1
209.01010	0.9
219.07426	0.6
227.05751	0.7
228.63083	0.5
239.95030	0.5
244.62239	0.6
269.10425	1.0
275.23938	1.1
281.07242	1.0
301.21973	1.7
319.22955	0.8
341.11017	1.2
341.16211	0.8
401.10980	1.5
401.14944	2.0
401.27127	11.7
402.27515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.6
58.00485	1.3
59.01266	100.0
60.01615	1.3
60.98566	0.2
69.03343	0.6
71.01272	20.9
71.58006	0.3
71.58390	0.3
72.98844	0.3
72.99191	1.7
73.02834	0.7
74.02370	0.6
75.00770	0.5
83.01291	0.6
85.02839	3.4
87.00746	1.3
89.02338	30.7
90.02695	0.8
93.03347	0.6
95.01299	0.9
97.02893	0.3
97.06503	0.2
99.00787	0.3
99.04419	1.3
101.02345	9.0
102.02717	0.3
113.02355	9.4
113.16546	0.3
119.03417	11.2
120.03803	0.2
123.08092	0.4
125.02346	0.3
130.08679	0.3
131.03424	1.5
135.04407	0.3
143.03433	2.4
149.04520	1.5
161.04535	3.1
161.09683	0.6
165.84581	0.2
173.04533	0.4
179.05577	10.0
180.05908	0.3
188.68465	0.2
191.05594	1.8
275.23904	0.3
301.21844	0.7
327.19904	0.3
341.11188	0.4
401.18939	0.5
401.27039	3.8
402.27322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88894	0.9
59.01266	100.0
60.01574	1.4
61.98722	1.2
63.35547	0.7
69.03354	2.2
71.01274	11.4
71.57772	0.9
74.02341	1.8
78.95789	1.7
84.16405	1.0
85.02849	2.5
85.63414	0.8
87.00787	2.0
87.40058	1.0
89.02342	17.7
93.03355	0.9
96.00806	1.2
96.95943	1.7
96.96862	1.5
99.04401	4.1
101.02341	5.2
109.68082	1.0
111.04491	0.8
113.02356	6.8
114.56548	0.8
119.03406	7.1
124.02143	1.2
152.01770	2.0
153.01895	1.0
161.04475	0.9
172.10687	0.9
173.04515	1.3
179.05598	3.4
182.91927	0.8
191.05530	4.7
249.08871	1.6
263.62827	0.9
275.23825	1.2
300.25323	1.0
301.21744	2.0
319.22836	1.4
341.10828	1.6
366.16711	1.3
383.18924	1.2
401.15131	3.1
401.27042	21.1
402.27499	1.8
416.02203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06668	0.8
59.01266	100.0
59.08607	0.8
60.01604	1.3
64.38868	1.0
69.03338	1.4
69.83472	1.5
69.83884	3.5
71.01272	7.8
71.30981	0.9
72.99179	1.2
77.22185	0.8
78.95803	1.0
82.25513	0.8
83.07346	0.8
85.02832	2.4
87.00784	1.4
89.02340	12.9
93.03349	1.9
96.95923	1.4
99.04423	3.8
101.02358	4.2
102.56512	1.1
109.02859	0.9
113.02370	2.1
119.03411	3.8
123.04452	1.3
131.03438	1.0
133.02870	1.1
136.01596	1.1
136.12656	0.9
137.06062	1.3
143.84729	0.8
146.03650	0.8
150.03230	1.6
151.03976	2.9
161.04457	1.3
161.09619	1.2
165.05568	1.2
172.10934	1.0
173.04526	1.2
179.05554	3.0
179.07111	1.2
188.25510	0.9
191.05621	4.6
217.85175	0.9
227.05696	2.1
241.55943	0.8
249.08856	1.1
301.21774	2.2
319.22891	1.2
383.19531	1.2
401.15091	1.9
401.27094	11.3
402.27454	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	401.1463
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
52.37367	0.5
55.01771	7.6
57.03342	5.2
58.00480	1.8
59.01266	41.7
68.99732	0.5
69.03342	2.7
71.01271	86.8
71.14405	1.2
72.01621	1.0
72.99196	3.2
73.02839	37.8
75.00762	3.7
81.03352	1.7
83.01276	14.9
84.02077	0.6
85.02845	41.5
86.00001	0.7
86.03154	1.0
87.00780	4.3
89.02336	16.2
95.01278	5.5
97.02865	5.1
99.00781	15.2
99.04423	1.2
101.02347	68.0
102.02691	1.5
107.04906	0.5
111.00781	1.8
113.02357	32.5
114.02654	0.5
115.03907	3.3
119.03384	0.6
125.02369	6.6
127.03943	0.9
129.01865	1.6
131.03433	3.6
135.04425	0.4
136.22295	0.5
143.03404	4.2
149.04495	2.1
159.02936	6.7
161.04509	47.8
162.04837	1.7
191.05609	2.0
205.03535	1.3
225.11386	0.5
233.06728	6.4
269.10373	98.1
270.10681	8.1
274.18109	0.5
293.08862	3.4
313.09320	0.7
401.14615	100.0
402.14920	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03930	3.3
56.24253	3.6
57.03324	2.9
59.01265	55.1
59.58277	3.0
60.23127	3.0
60.99505	3.3
62.33083	3.4
69.03337	11.3
70.50536	6.0
70.50923	6.2
71.01265	12.0
81.55409	3.5
85.02840	8.9
97.02847	7.1
99.04411	23.1
101.02312	5.7
102.98499	8.0
113.02361	6.0
115.03914	9.8
121.02890	8.4
125.02366	33.1
133.02870	7.9
135.04462	17.2
161.02412	12.7
173.04378	3.2
179.03389	10.9
191.05582	6.7
223.77582	3.5
232.89998	3.5
237.14926	4.6
242.02229	10.5
243.02863	8.5
251.16652	3.9
253.12773	3.4
270.01840	9.7
271.02484	8.0
271.13617	8.4
275.23932	9.0
285.04184	8.4
300.02771	9.3
301.21823	11.6
313.03616	31.9
314.04367	21.6
315.05215	10.7
319.22910	6.8
329.22961	6.5
359.15463	10.8
401.27036	100.0
402.27225	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92688	0.6
53.11995	0.6
59.01266	100.0
60.01611	1.6
62.83639	0.6
64.21187	0.6
69.03358	2.8
69.77433	4.3
70.99264	0.8
71.01266	3.6
72.99192	1.2
73.02845	1.9
75.00777	2.4
79.52474	0.7
83.96347	0.7
85.02859	2.1
87.00777	1.2
89.02361	2.8
89.33058	0.6
89.52625	0.6
93.03362	1.9
96.95908	0.9
98.20542	0.8
99.00829	0.8
99.04428	5.2
101.02365	2.4
109.02889	2.1
112.03993	1.4
113.02370	1.6
119.03446	0.7
123.00874	0.7
133.02899	0.7
135.04506	1.3
137.02412	1.0
151.03993	0.7
151.07591	1.2
153.01935	2.7
179.05705	0.9
179.07137	0.8
191.05629	3.5
195.06720	3.0
196.06990	1.9
197.07201	2.4
275.23868	1.4
301.21930	1.5
319.23056	0.9
324.44952	0.7
328.78821	0.7
341.11227	1.7
352.93451	0.8
400.69366	0.7
401.27054	20.4
402.18188	1.5
402.27698	1.9
415.42529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	3.9
57.03334	2.5
58.00472	1.2
59.01267	26.1
69.03338	1.2
70.45469	1.6
71.01271	53.5
72.01595	0.9
72.99189	2.2
73.02837	24.2
73.86053	0.4
74.03181	0.5
75.00753	1.5
75.41051	0.5
79.40792	0.5
81.03338	0.7
83.01279	8.3
85.02842	26.0
85.99989	0.7
87.00785	2.9
89.02341	9.6
93.03373	2.8
94.03658	0.5
95.01274	4.0
97.02846	1.9
99.00784	14.0
99.04414	1.1
101.02348	40.9
102.02702	0.9
111.00779	1.0
112.01573	1.4
113.02362	25.2
114.02708	0.7
119.04937	0.6
121.02908	0.8
125.02345	2.1
129.01866	1.2
131.03421	2.0
139.03934	1.3
143.03462	2.9
150.03282	0.6
151.03923	1.9
155.39713	0.5
159.02939	5.7
161.04507	35.2
162.04829	1.1
173.04533	1.9
174.26929	0.6
191.05574	9.8
196.99893	0.5
203.07097	0.7
205.03520	1.5
209.04506	0.9
227.05614	2.0
269.10373	64.0
270.10776	4.2
319.22568	0.5
383.10114	0.6
401.14630	100.0
402.14963	10.9
402.27228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	80.1
70.13867	12.6
71.01272	55.6
72.99211	5.8
79.34154	2.6
80.73046	3.0
83.23129	2.7
85.02853	15.8
86.03214	2.8
87.00776	18.7
87.17087	2.6
89.02334	72.3
90.73658	3.0
98.20490	2.6
101.02345	26.7
108.02030	4.0
112.12225	3.1
113.02369	24.4
119.03445	22.4
131.03424	4.2
143.03467	3.0
152.01088	3.4
155.54958	3.2
161.04480	4.3
166.02786	3.6
179.05560	24.0
179.07039	5.4
191.05545	16.7
206.16689	3.3
219.05060	3.3
237.07904	2.9
265.07260	7.1
295.08310	5.8
341.10953	100.0
342.11234	7.8
401.10934	28.9
401.15860	6.1
401.27029	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	401.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33500	0.9
57.03343	1.8
58.00481	2.1
59.01265	76.4
68.93211	1.0
69.03342	3.2
69.19769	1.0
69.89331	6.1
71.01269	42.7
72.99187	2.7
73.02831	2.6
75.00764	1.5
83.01282	2.1
85.02840	8.0
87.00774	11.7
89.02339	59.0
90.02654	2.1
95.01273	1.7
96.95940	1.1
96.96856	1.5
98.19804	2.0
99.04424	7.2
101.02345	26.4
108.02071	1.9
109.02877	1.1
113.02356	18.6
119.03411	18.7
124.02467	0.9
131.03436	3.0
143.03459	3.9
149.04523	2.1
153.94040	1.0
161.04500	6.4
173.95218	1.2
179.05586	27.6
179.07101	2.3
181.05144	1.2
191.03853	1.6
191.05568	9.7
214.20261	1.0
219.05165	5.0
221.05547	2.4
245.97461	1.2
265.07227	4.1
275.24091	1.5
295.08102	1.7
301.21790	3.4
319.22876	1.8
341.10962	100.0
342.11353	7.1
363.70065	1.6
401.10815	7.6
401.27032	23.3
402.11481	1.5
402.27463	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	399.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61261	0.3
55.01756	0.4
59.01263	40.4
60.01608	0.5
69.03350	0.5
69.29625	3.2
69.30045	0.9
97.06490	1.5
99.04416	61.0
100.04758	1.9
105.06976	0.8
111.04441	1.0
111.08131	0.4
113.60151	0.5
124.01585	0.6
125.09554	0.5
161.64259	0.4
167.10669	0.5
173.09680	1.1
177.79346	0.4
182.60291	0.4
187.11224	1.7
242.02946	0.5
299.20242	9.3
300.20569	0.9
317.21298	0.8
327.29144	1.1
337.25342	0.6
355.26495	1.1
399.25482	100.0
399.34677	5.7
400.25824	15.0
400.34528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.3
59.01242	0.3
69.46460	1.7
69.46877	0.6
74.59981	0.3
92.54353	0.2
98.20524	0.5
99.04417	100.0
100.04761	2.5
105.07008	0.5
116.65407	0.2
126.12206	0.2
271.20630	0.3
299.20239	12.8
300.20514	1.4
304.61917	0.3
316.84305	0.3
317.05252	0.3
317.20987	0.4
393.15125	0.3
399.25479	43.4
400.25848	6.3
422.85202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.2
59.01265	0.8
59.98392	0.4
69.64127	0.7
71.01266	0.2
74.23993	0.1
83.04919	0.2
94.35696	0.1
95.05889	0.1
98.19751	0.1
99.04419	100.0
100.04749	2.6
105.06995	0.6
107.04926	0.1
111.04401	0.4
113.31126	0.1
119.04935	0.2
131.59477	0.1
133.57123	0.1
149.06059	0.1
153.69585	0.1
160.33276	0.1
163.19473	0.1
169.10271	0.1
187.11230	0.2
192.18063	0.1
203.14388	0.3
228.64516	0.1
239.18021	0.2
268.03278	0.1
271.20709	0.5
271.70526	0.1
273.22244	0.3
283.16904	0.1
299.20218	18.4
300.20511	2.2
317.21234	0.9
355.26462	0.1
399.25470	68.4
400.25809	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	399.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02669	4.4
55.29103	4.8
55.80579	4.5
59.01266	51.2
61.62389	4.4
61.98694	12.7
69.55606	8.5
69.56010	29.7
71.01236	5.3
71.20501	4.2
75.00759	7.2
99.04401	6.0
113.37476	6.3
172.08417	4.9
198.28026	4.5
299.20383	8.1
312.95963	4.6
317.21286	100.0
318.21680	13.9
355.86188	4.9
384.74835	4.9
395.48764	5.1
399.21494	96.5
400.22028	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	399.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	4.7
57.03336	0.7
58.99495	1.2
59.01261	3.7
59.74128	0.5
65.09590	0.4
65.57518	0.4
67.01778	0.6
69.03345	100.0
70.03691	1.8
71.01265	3.1
71.06896	1.0
72.99200	2.2
79.01807	1.9
83.01273	0.4
85.02864	2.4
87.00764	0.6
93.03401	0.7
95.01283	2.4
97.02853	19.5
98.03214	0.5
99.00780	24.7
100.01129	0.5
101.02367	1.2
102.98499	10.1
102.99181	0.5
113.02412	1.1
115.02115	0.6
123.00803	1.1
131.42653	0.4
135.04468	0.5
135.73187	0.4
137.02370	0.6
141.01869	11.0
151.00380	0.9
163.00624	0.8
173.04526	1.1
183.08479	0.6
183.13965	0.8
185.00891	66.8
186.01228	2.4
191.05583	2.0
213.14984	2.4
240.77853	0.5
269.15891	0.9
357.17386	1.0
357.21814	0.6
378.17093	0.8
395.44159	0.5
399.16586	10.2
400.16922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1305
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
55.01773	0.4
57.03332	1.0
59.01266	5.4
67.01767	0.8
68.99692	0.3
69.03337	1.1
71.01264	9.9
71.55067	0.5
72.73465	0.3
72.99178	0.8
73.02835	1.8
83.01285	1.7
84.02040	0.3
85.02837	9.5
86.03160	0.3
87.00768	2.8
89.02349	0.9
90.67251	0.3
91.05437	2.3
93.03340	1.1
95.01287	1.8
97.02818	0.4
99.00779	0.8
101.02343	3.4
103.00269	0.4
105.03378	0.5
109.02883	0.3
111.00760	0.7
112.01594	0.6
113.02354	12.1
115.16549	0.4
117.03365	3.9
119.04939	0.4
121.02897	0.3
123.04427	0.8
129.01860	0.9
131.03458	0.3
132.02139	1.4
133.02881	30.2
134.03455	1.2
135.04437	10.2
136.04787	0.5
137.02338	1.0
139.00249	0.4
143.03487	0.4
145.02841	0.4
151.03993	0.4
151.07574	0.4
159.02859	0.4
161.02383	100.0
162.02724	5.0
163.03981	0.7
173.04512	0.5
175.04016	0.6
179.03479	3.3
188.43971	0.3
191.05589	2.4
192.05966	0.4
193.05049	0.6
193.08714	0.4
203.01976	0.4
205.07120	3.2
249.06212	0.5
263.07755	1.1
281.08829	16.8
282.09164	1.0
395.14014	0.4
399.13022	67.9
400.13379	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	399.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
59.01269	1.1
65.00217	0.5
67.01771	0.2
68.99716	0.2
69.03342	0.4
71.01271	0.8
71.55929	0.2
73.02811	0.2
80.02569	0.2
81.03352	5.2
83.01263	0.7
85.02851	0.3
85.06487	0.9
87.00798	0.2
87.04424	0.6
89.02338	0.2
93.03374	0.4
95.01289	0.3
95.04914	0.4
96.05307	0.1
96.95898	0.7
97.02871	0.7
97.06484	0.1
97.78152	0.2
99.04412	0.2
101.02346	0.3
105.03352	0.1
107.01279	0.3
108.02081	0.2
109.02868	0.4
109.06503	2.5
110.06806	0.1
111.04430	4.4
113.02364	0.5
113.06027	0.4
121.02883	0.5
122.03649	2.0
123.00795	0.2
123.04427	0.5
123.08071	0.4
124.01531	0.2
125.02377	5.4
127.07567	0.4
131.01294	0.2
133.02882	0.2
135.00845	0.3
135.04439	0.4
137.02390	0.3
139.03934	0.6
139.07549	0.1
149.02405	1.4
149.05957	0.1
149.48070	0.1
151.00311	1.0
151.07593	39.1
152.01071	0.6
152.07932	2.2
153.01901	0.1
153.05510	0.4
161.02371	0.4
161.06053	0.2
162.02994	0.1
163.07610	0.5
165.01898	0.1
165.05528	0.7
166.02699	0.2
167.03458	0.4
167.07072	0.2
173.04518	0.1
175.00381	0.6
177.05554	0.6
179.03439	0.4
179.07080	1.4
186.03181	0.1
191.05542	0.5
191.07130	1.5
193.05016	0.2
193.08710	0.2
194.05878	0.3
195.06609	100.0
196.06947	5.5
201.05528	0.5
205.08574	0.1
207.06635	0.8
208.07356	0.4
209.08186	2.6
210.08432	0.1
219.06625	21.6
220.06979	1.4
221.08200	0.4
233.08003	0.2
237.07697	9.6
238.08096	0.6
247.06226	0.1
247.80894	0.1
249.07713	3.0
250.08063	0.3
261.07687	0.3
267.08813	0.2
269.15735	0.1
339.10962	0.2
381.11951	0.4
399.13040	6.5
399.23822	0.3
400.13312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
59.01269	1.1
65.00217	0.5
67.01771	0.2
68.99716	0.2
69.03342	0.4
71.01271	0.8
71.55929	0.2
73.02811	0.2
80.02569	0.2
81.03352	5.2
83.01263	0.7
85.02851	0.3
85.06487	0.9
87.00798	0.2
87.04424	0.6
89.02338	0.2
93.03374	0.4
95.01289	0.3
95.04914	0.4
96.05307	0.1
96.95898	0.7
97.02871	0.7
97.06484	0.1
97.78152	0.2
99.04412	0.2
101.02346	0.3
105.03352	0.1
107.01279	0.3
108.02081	0.2
109.02868	0.4
109.06503	2.5
110.06806	0.1
111.04430	4.4
113.02364	0.5
113.06027	0.4
121.02883	0.5
122.03649	2.0
123.00795	0.2
123.04427	0.5
123.08071	0.4
124.01531	0.2
125.02377	5.4
127.07567	0.4
131.01294	0.2
133.02882	0.2
135.00845	0.3
135.04439	0.4
137.02390	0.3
139.03934	0.6
139.07549	0.1
149.02405	1.4
149.05957	0.1
149.48070	0.1
151.00311	1.0
151.07593	39.1
152.01071	0.6
152.07932	2.2
153.01901	0.1
153.05510	0.4
161.02371	0.4
161.06053	0.2
162.02994	0.1
163.07610	0.5
165.01898	0.1
165.05528	0.7
166.02699	0.2
167.03458	0.4
167.07072	0.2
173.04518	0.1
175.00381	0.6
177.05554	0.6
179.03439	0.4
179.07080	1.4
186.03181	0.1
191.05542	0.5
191.07130	1.5
193.05016	0.2
193.08710	0.2
194.05878	0.3
195.06609	100.0
196.06947	5.5
201.05528	0.5
205.08574	0.1
207.06635	0.8
208.07356	0.4
209.08186	2.6
210.08432	0.1
219.06625	21.6
220.06979	1.4
221.08200	0.4
233.08003	0.2
237.07697	9.6
238.08096	0.6
247.06226	0.1
247.80894	0.1
249.07713	3.0
250.08063	0.3
261.07687	0.3
267.08813	0.2
269.15735	0.1
339.10962	0.2
381.11951	0.4
399.13040	6.5
399.23822	0.3
400.13312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.1
57.03331	4.7
59.00991	1.7
59.01268	20.5
67.01783	5.6
68.99705	5.4
69.03326	2.5
71.01269	26.8
71.56536	2.2
72.99205	2.0
73.02847	1.3
83.01286	3.5
85.02845	36.6
85.03362	1.9
85.97251	1.0
85.99934	1.4
86.03169	1.5
87.00779	12.4
89.02353	3.4
91.03902	2.9
91.05435	36.4
92.05801	1.9
93.03356	3.3
95.01286	7.3
97.02843	2.0
97.70557	1.0
99.49796	1.1
101.02342	2.3
103.00284	1.4
103.03985	1.2
109.02865	1.9
111.00790	6.7
111.04424	2.7
112.01583	1.4
113.02361	45.0
114.02673	1.4
117.03379	12.3
125.02374	1.4
127.03937	1.3
129.01851	4.3
131.03445	1.5
135.04451	63.3
136.04749	2.8
137.02330	1.9
139.00284	2.3
151.07588	2.8
171.38289	1.1
189.04039	2.0
191.05600	10.4
195.06563	8.8
205.07167	16.9
206.07439	1.5
219.06581	1.6
237.07797	1.8
249.06058	6.3
251.11301	1.3
263.07785	48.6
264.08130	3.0
279.08740	6.7
281.08838	100.0
282.09183	6.4
291.08923	1.4
309.09854	3.1
349.85245	1.1
399.13049	72.4
400.13281	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	399.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77955	0.1
57.03341	0.7
59.01271	0.9
65.00227	0.4
67.01765	0.1
68.35519	0.1
70.99307	0.3
71.01258	0.1
71.78010	0.1
78.95805	1.7
79.04690	0.1
80.96243	0.2
81.03357	3.8
83.01290	1.2
85.02867	0.4
85.06500	0.5
87.00771	0.2
87.04412	0.5
93.03391	0.8
95.35254	0.1
96.96883	0.4
99.04430	0.1
105.60285	0.1
107.01317	0.4
107.04960	0.2
108.02119	0.1
108.48737	0.1
109.02866	0.2
109.06507	2.4
111.03645	0.2
111.04433	3.7
114.89263	0.1
117.03389	0.1
119.16944	0.1
121.02830	0.2
122.03642	1.2
123.04462	0.2
123.08089	0.1
125.02378	7.2
126.02740	0.2
127.07582	0.2
133.02875	0.2
133.06476	0.3
135.04480	0.5
149.02409	0.7
151.00322	1.2
151.07597	26.0
152.07964	1.3
153.05534	0.3
167.03444	0.3
173.04512	0.3
177.05508	0.8
179.03441	0.2
187.07620	0.2
190.02750	0.1
191.05606	3.0
191.07159	0.4
195.06616	100.0
196.06955	6.0
219.06618	0.5
229.08589	0.2
233.09462	0.4
237.07674	1.2
251.05539	0.1
302.07474	0.2
347.91196	0.1
399.12735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27710	0.6
57.03326	1.6
59.01259	10.2
67.01775	1.0
69.03351	3.9
71.01268	6.6
71.26923	1.6
72.99188	2.5
73.02837	1.1
81.03376	1.5
83.01284	1.2
83.04930	0.9
85.02842	10.6
87.00767	46.2
89.02332	5.2
91.47574	0.6
92.86276	0.6
94.60983	0.7
95.01302	0.7
95.04950	0.7
97.02856	6.1
99.00748	1.2
101.02351	3.4
104.22540	0.6
105.65471	0.6
109.02867	1.4
110.02354	0.7
110.35229	0.6
111.00796	5.5
111.04416	2.1
113.02348	2.2
115.00285	1.0
119.03406	0.6
121.02811	0.8
127.03950	1.1
129.01871	6.8
131.03406	0.9
141.01866	3.1
157.04991	1.0
179.05565	1.5
188.16772	0.6
189.04181	0.7
191.05574	1.4
201.04062	4.4
219.05095	100.0
220.05467	4.8
235.18039	0.7
399.11761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21815	0.3
58.07409	0.3
58.08842	0.3
59.01266	100.0
60.01606	1.3
63.21136	0.3
68.99708	3.5
69.38029	0.5
69.38428	2.3
71.01268	3.0
73.02837	3.5
83.01305	1.0
85.02853	0.5
87.00775	0.4
89.02388	0.3
96.11546	0.3
97.02867	0.3
98.20502	0.7
99.00787	0.3
101.02354	3.9
110.69409	0.3
113.02378	1.0
116.04971	0.4
125.02388	0.6
129.86916	0.3
131.03477	0.4
149.04550	0.5
155.03531	0.3
161.02441	0.4
161.04558	0.6
174.74840	0.3
177.01929	0.5
224.31236	0.3
405.86188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93008	18.2
59.01272	100.0
60.38493	16.7
71.01294	18.1
71.57312	24.1
81.03355	19.3
83.04906	41.8
96.95901	49.6
100.37292	15.5
143.07077	40.8
166.00592	16.9
217.00226	17.5
299.26056	20.7
397.22812	61.2
397.29443	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60070	1.6
59.00996	2.2
59.01267	34.8
59.55661	1.5
61.98719	8.7
64.71877	1.8
66.48876	1.6
71.04896	1.9
71.43713	2.7
73.02832	2.3
80.28475	1.4
83.04919	6.9
85.02834	2.0
85.06504	1.7
87.00738	1.7
97.06496	7.7
98.55460	1.5
99.04423	4.9
99.08090	3.1
101.05964	3.3
111.04423	15.2
113.05994	3.1
115.07587	2.9
122.03655	1.7
133.02844	1.8
133.06479	1.5
137.09630	2.5
139.11122	1.9
140.04742	13.3
141.05458	2.6
141.09158	17.7
151.11325	2.0
153.12794	58.5
154.13095	3.8
169.12247	2.8
176.46495	1.7
179.10742	33.1
180.11111	2.0
181.12378	7.9
195.10167	3.8
197.11835	19.4
199.13382	100.0
200.13705	6.0
215.12907	7.3
217.00259	2.6
226.95992	1.7
227.12865	2.5
229.14453	14.6
237.15019	2.8
249.18649	2.9
255.16057	59.5
256.16452	2.2
263.16513	3.9
265.18161	2.8
267.19775	79.8
268.20029	6.6
275.16666	5.9
277.18124	5.8
281.17676	6.4
283.19244	3.6
293.17636	17.0
295.19196	2.8
311.18719	55.3
312.19080	3.3
329.82373	1.6
361.24051	2.6
379.25006	25.8
380.25278	4.7
397.11441	3.2
397.26065	42.6
398.26215	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	397.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.8
61.33161	0.5
64.96913	0.5
71.21947	0.8
73.03978	2.1
74.91713	0.4
78.95793	1.4
79.95628	11.2
80.96407	1.8
94.97986	1.1
95.95126	2.7
96.95913	88.5
112.52107	0.4
122.97491	4.2
130.08669	18.7
133.06525	0.8
141.10335	0.6
143.11835	27.7
144.12183	0.9
152.99469	0.6
163.28740	0.5
167.00186	0.7
187.10876	0.9
217.00374	0.5
226.21852	1.0
255.23305	0.9
266.21347	1.1
353.31808	1.9
397.22772	100.0
397.30566	28.7
398.23099	11.1
398.30902	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	397.2007
Annotation	6,10,10-Trimethylspiro[bicyclo[7.2.0]undec-5-ene-2,2'-oxirane]-4,8-diol 4-acetate 8-benzoate
Peak:m/z	Relative Intensity
59.01266	20.6
67.34231	0.7
69.03345	2.3
71.01248	0.8
71.61055	0.9
75.33910	0.6
83.04921	1.2
85.16492	0.7
99.04384	1.0
111.03732	1.0
111.04441	13.3
115.62963	0.7
119.04930	0.8
119.08568	1.0
121.06469	1.3
123.08073	1.6
166.02686	1.0
187.11258	1.4
191.10834	0.8
201.12805	1.0
203.14397	10.8
233.15547	10.6
271.20746	8.1
315.19724	100.0
316.20078	12.5
337.17877	1.5
337.23834	1.1
379.22467	0.9
397.20047	65.3
398.20309	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.2
57.53445	0.2
59.01267	100.0
60.01603	1.0
71.01263	2.1
72.99204	0.3
73.02853	0.4
75.00788	0.6
78.95797	23.7
83.01286	0.3
85.02852	1.2
86.16098	0.2
87.00769	0.3
89.02342	0.5
93.03378	1.4
95.01289	0.4
96.96866	4.3
99.00767	0.2
101.02345	0.7
102.98554	0.2
113.02375	0.9
119.04939	0.2
151.07541	0.6
155.03461	0.2
159.04428	0.2
159.85606	0.2
163.03880	0.2
173.04457	0.6
177.05490	0.3
188.03955	0.2
191.05585	1.8
193.03403	0.2
193.08708	2.9
203.03513	0.3
203.05545	0.7
210.03453	0.3
233.09422	0.4
331.18155	0.6
331.68552	0.3
397.13965	6.9
397.20038	1.7
397.70349	0.7
398.14682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99494	0.5
59.01267	100.0
60.01604	1.4
67.92613	0.4
71.01271	2.1
71.59401	0.5
73.02814	0.5
74.77290	0.4
83.16108	0.4
85.02858	0.9
89.02357	0.6
90.64824	0.4
91.94009	0.4
93.03395	0.4
95.05000	0.4
99.00775	0.4
101.02361	0.8
102.98507	3.5
113.02372	1.0
120.99628	0.7
133.06529	17.4
134.06859	1.3
149.06075	0.4
161.04602	0.6
177.01935	0.8
178.02715	1.0
187.09038	0.4
193.05104	1.7
225.19327	0.5
271.79019	0.3
284.90338	0.4
397.20981	0.5
405.29019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.9
67.01762	0.3
71.01268	1.6
71.11992	0.8
72.99203	0.4
73.02848	0.8
78.95798	100.0
83.01263	0.3
85.02840	1.2
87.00762	0.5
89.02335	0.4
93.03382	1.8
93.48414	0.3
96.96866	62.5
97.50905	0.2
99.00794	0.4
101.02352	1.0
111.04417	0.3
113.02368	0.7
117.03442	0.3
119.03402	0.3
119.04939	2.8
129.01849	0.4
129.10275	0.3
134.03638	1.3
135.04468	0.4
137.02383	0.6
143.03564	0.3
145.02832	1.2
149.00047	2.0
149.06036	0.5
159.04495	0.3
161.94249	0.3
163.03903	1.6
165.03139	0.4
173.04506	1.6
175.03963	0.4
175.07550	0.3
191.05574	3.5
193.05040	1.1
196.65996	0.3
206.32483	0.3
211.07680	0.6
233.09428	0.3
267.06976	0.3
271.40866	0.3
293.10281	0.4
297.08987	1.5
319.08450	0.3
327.08841	0.4
337.09958	0.4
397.14322	65.5
398.14648	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	397.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74187	0.7
52.61498	0.9
57.03312	2.9
59.01267	8.5
59.33629	0.9
60.99192	6.9
61.98700	0.8
67.01781	14.5
69.03321	3.5
71.01277	7.3
71.59875	1.0
73.02810	1.2
78.25843	0.8
78.95801	12.6
79.10370	0.9
81.03318	2.8
83.04878	3.1
85.02807	3.4
87.00773	21.3
88.18211	0.9
89.02288	1.5
93.03360	100.0
94.03674	4.0
95.01237	1.0
96.95885	1.0
96.96864	8.7
99.00739	2.5
99.04386	1.6
101.02328	1.4
106.09638	0.9
109.02809	1.4
111.04440	15.4
113.02286	3.4
119.04886	3.5
121.02840	2.4
129.01831	2.7
133.02815	0.9
134.03677	19.0
137.02328	2.2
143.03391	1.8
149.02385	13.2
150.02808	1.2
152.99529	2.0
155.03374	3.1
163.03868	2.6
164.04681	5.4
165.05058	0.8
173.04510	74.8
174.04750	3.4
191.05598	10.9
193.05032	4.1
208.03578	1.7
223.06090	7.7
229.82642	1.0
236.43929	0.9
240.86182	0.9
267.07156	1.0
337.18625	1.2
397.11151	51.7
398.11542	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	397.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24205	1.1
55.01764	5.5
57.03322	2.5
58.00467	4.8
59.01265	100.0
60.01603	1.8
63.31307	1.2
69.03348	6.7
69.48360	9.9
71.01270	88.7
72.99190	7.5
73.02837	18.4
75.00758	3.0
81.03340	2.7
83.01276	10.5
85.02845	16.1
87.00777	13.8
89.02339	68.0
91.03893	1.8
95.01283	5.4
97.02862	18.6
98.19775	1.4
99.00769	6.5
101.02351	66.3
101.33517	1.3
103.03905	1.8
109.02821	2.0
111.04398	2.7
113.02357	28.9
113.84961	1.4
114.02763	1.4
115.03905	1.5
119.03416	24.9
121.02882	1.6
123.00821	1.9
124.01561	1.3
125.02383	20.4
127.04018	1.5
131.03424	2.1
133.04971	4.7
139.03951	3.4
141.01897	1.7
143.03430	11.0
149.04495	1.9
161.04527	13.7
169.05008	2.4
179.05566	6.3
191.03140	1.7
199.06219	1.7
217.07188	4.7
221.06718	3.9
234.77396	1.3
235.08215	19.9
253.09261	1.8
263.34891	1.2
277.09381	1.6
305.08942	2.4
361.11517	1.8
379.12924	2.3
397.13617	94.3
398.14023	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	397.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49001	0.8
58.99493	2.0
59.01269	12.1
61.98726	0.8
69.25890	10.0
71.01276	4.3
72.99196	1.5
74.65548	0.8
76.43245	0.8
83.01273	2.0
85.02859	3.0
89.02342	2.8
95.01272	2.1
101.02358	1.4
102.98509	16.5
107.01319	1.5
108.02097	2.5
111.00810	1.4
113.02383	2.7
125.02429	0.9
135.00827	1.1
148.01596	2.0
151.00349	2.1
161.04576	0.9
163.00496	1.1
164.01242	1.1
174.52116	0.8
175.03946	1.2
178.99751	0.9
199.03995	2.5
203.03534	1.7
215.03467	2.5
225.05717	0.9
226.02818	1.8
227.03497	3.6
243.03030	11.4
254.02216	1.4
255.03027	26.9
256.03513	2.0
271.02554	62.8
272.02936	6.1
299.02051	23.6
300.02823	100.0
301.03217	10.5
304.49744	1.0
345.96262	0.9
397.09439	1.7
397.20572	26.8
397.70795	10.2
398.17105	2.0
398.21573	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	21.1
60.01607	2.5
61.01684	3.2
61.98719	100.0
69.86367	2.7
69.86800	1.7
84.04663	0.7
94.46635	0.7
94.79820	0.7
97.17828	0.7
98.19834	0.7
121.02908	1.4
177.08517	0.7
217.00282	1.8
250.44884	0.7
254.52400	0.7
314.07819	0.8
336.22665	0.7
337.24030	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	395.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25431	1.0
59.01252	3.1
71.60391	1.3
79.82774	0.8
94.04144	1.6
118.89855	1.4
123.04414	1.2
141.09209	1.0
149.06081	1.2
151.11171	4.4
163.07591	1.0
165.12756	4.7
167.14407	2.0
179.10799	2.9
179.14360	3.9
205.12344	1.0
208.28056	0.9
249.18823	1.0
261.18622	1.0
277.18158	2.6
282.53778	1.0
301.25421	3.8
307.19324	4.3
308.19946	2.3
309.20697	1.3
319.26450	1.6
327.23315	1.7
345.24399	78.2
346.24698	11.5
362.24814	1.3
363.25488	100.0
364.25848	11.9
377.26965	3.3
395.22922	2.0
395.28024	31.8
396.28229	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2448
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
53.78252	0.4
59.01266	100.0
60.01605	1.5
61.33350	0.4
61.98724	1.2
69.43830	3.6
80.18254	0.4
81.97040	0.4
96.95931	0.6
113.02431	0.4
115.59676	0.4
117.36485	0.4
134.43890	0.4
219.61749	0.4
335.22290	2.5
401.05057	0.4
409.85269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49253	0.8
59.01263	16.7
61.98717	10.6
69.03354	5.1
70.70611	1.8
70.70979	1.5
83.01326	1.0
87.00716	0.9
99.04427	5.5
115.88012	0.8
120.36568	0.8
122.96646	0.7
125.09632	3.6
187.09790	2.2
232.77425	0.9
238.03116	0.8
261.22278	0.9
269.67740	0.8
305.21329	1.3
317.21286	4.0
335.22339	100.0
336.22763	10.9
395.20844	2.8
396.21866	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	395.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79107	0.2
59.01242	0.7
61.98707	0.4
69.60213	1.1
69.60622	0.3
71.01910	0.2
73.44400	0.2
77.59346	0.2
78.95795	4.4
99.92472	0.2
110.98449	2.5
115.59081	0.2
115.92043	0.3
116.92780	0.3
120.90955	0.2
139.89491	0.2
142.51721	0.2
152.99530	0.9
162.60300	0.2
167.01105	1.3
180.49637	0.2
185.02174	2.5
194.78741	0.2
227.20174	100.0
228.20515	7.8
277.21912	0.2
395.22131	7.3
396.22534	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	395.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16591	0.3
59.01264	100.0
60.01608	1.3
62.46865	0.3
69.03351	0.4
69.63802	1.9
71.01263	3.5
73.02846	1.5
77.77802	0.3
83.01287	0.7
85.02834	1.5
87.00777	0.9
89.02339	0.9
91.79642	0.3
95.01304	0.3
99.00759	0.4
101.02356	3.0
104.74192	0.3
111.00812	0.5
113.02364	1.6
119.03426	0.5
125.02361	0.5
141.01913	0.6
143.03445	0.3
151.03973	0.8
159.02991	0.3
161.04518	1.6
191.05647	0.7
192.08572	0.3
275.14963	1.5
293.16159	8.8
294.16324	0.6
335.17215	3.7
336.17670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05631	0.3
57.03334	0.5
59.01264	100.0
59.63413	0.3
60.01600	1.1
71.01270	4.4
71.57245	0.5
72.99174	0.4
73.02847	1.3
76.42219	0.3
83.01270	0.4
85.02839	1.9
89.02354	1.0
89.34894	0.3
90.89418	0.3
93.03371	0.7
99.00827	0.6
101.02338	2.9
113.02363	1.6
120.99553	0.4
135.04482	0.7
159.02963	0.5
161.04462	2.1
191.05580	1.6
201.04053	0.5
219.26234	0.4
275.15179	1.5
293.16147	10.1
294.16580	0.6
335.17191	3.8
336.17349	0.4
381.59778	0.3
396.09607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.2
57.03326	0.2
58.32422	0.1
59.01266	100.0
60.01600	1.3
69.03348	0.4
69.71413	1.1
71.01273	3.0
72.68539	0.2
72.99232	0.2
73.02840	1.1
75.00757	0.2
75.87992	0.2
78.95795	0.3
83.01297	0.7
85.02850	1.3
87.00776	0.7
89.02342	0.9
93.03362	0.2
95.01329	0.3
97.02894	0.3
98.19868	0.2
99.00816	0.5
101.02354	3.2
110.76924	0.2
111.00825	0.6
113.02382	1.5
115.93439	0.2
119.03444	0.3
119.04969	0.7
137.02441	0.2
141.01898	0.4
143.03418	0.3
147.08124	0.4
151.03986	0.6
159.02975	0.4
161.02469	0.3
161.04495	1.8
173.06047	0.2
173.11830	0.5
189.09407	0.2
191.05563	0.4
191.07086	2.4
192.07484	0.2
196.67284	0.2
201.04146	0.3
229.01509	0.2
234.07785	0.3
275.15088	1.3
293.16141	8.7
294.16583	0.6
335.08215	0.2
335.17197	3.9
336.17496	0.4
395.12872	0.3
395.21796	0.3
404.85696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	81.7
59.01264	100.0
60.01589	1.8
61.90319	1.5
71.01270	28.7
71.55802	2.8
72.99206	2.5
73.02847	7.6
75.00773	2.0
78.36496	1.6
78.95807	4.1
82.09320	1.8
83.01278	4.9
85.02841	13.0
89.02335	6.1
95.01320	1.9
96.96860	2.5
99.00781	5.0
99.04417	62.1
101.02341	40.0
101.03016	2.6
113.02327	12.5
119.03426	3.9
125.02373	28.2
143.03467	2.6
159.02954	3.1
161.04544	17.9
170.93866	1.8
191.05579	2.6
233.10194	3.2
249.09050	5.2
251.08928	3.9
251.11397	41.8
257.43253	1.9
293.12537	11.7
295.10406	2.5
333.15347	3.0
335.16971	2.9
395.15598	10.3
417.45563	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	395.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65019	0.4
52.54628	0.4
59.01264	3.9
61.98711	0.5
62.96318	0.4
64.77684	0.4
65.26550	0.4
69.51045	2.6
69.51451	0.9
71.01263	0.8
78.33721	0.4
78.83117	0.4
78.95796	95.4
85.02847	0.7
87.00783	1.0
96.96867	79.5
106.04024	0.5
107.02436	0.5
110.88676	0.4
113.02389	0.9
119.04971	0.6
134.03561	1.8
135.04405	0.5
145.02829	0.5
149.00114	0.7
161.04613	0.8
163.04042	0.5
173.04521	0.7
191.05615	1.6
203.11116	1.0
207.04268	0.9
220.41451	0.4
229.12675	0.4
233.09511	100.0
234.09840	6.4
249.08989	3.2
265.08575	3.1
266.08817	0.5
272.10657	1.0
307.15903	0.6
395.17358	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	395.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.2
69.15372	0.3
69.28518	0.7
69.28922	2.1
71.01278	0.8
75.09228	0.2
78.95795	100.0
85.02839	0.6
87.00771	1.0
89.78396	0.3
93.03348	0.7
96.96864	73.1
98.13565	0.3
102.56133	0.2
102.98508	0.5
107.41235	0.2
113.02323	0.3
129.01962	0.3
134.03613	0.5
137.02391	0.3
138.97939	1.2
160.01633	0.6
165.03178	0.4
173.06143	0.3
175.03955	0.9
177.52104	0.2
191.05602	0.8
193.05017	0.3
201.03923	0.3
217.54713	0.3
233.09499	13.9
234.09850	1.0
259.02292	13.6
260.02692	0.4
296.64954	0.3
395.14832	49.7
396.15201	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	395.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.2
57.03339	2.1
59.01267	100.0
60.01611	1.4
61.98696	1.5
68.99715	1.8
69.03331	3.4
71.01270	24.4
71.60445	2.3
73.02840	2.2
78.95794	14.7
79.65897	1.1
83.01283	15.2
83.04910	1.3
85.02856	4.2
87.00777	25.5
93.03383	1.3
96.96867	10.6
97.02856	4.1
99.00782	5.3
101.02348	1.7
105.01788	1.2
111.00792	4.7
113.02357	4.3
115.00289	20.2
117.03394	2.5
119.04962	2.6
123.04398	1.1
125.02379	1.7
127.00282	4.6
129.01866	10.5
132.02100	12.2
133.02901	8.5
134.03671	57.9
135.04315	1.8
137.02411	2.1
141.01869	3.3
145.01366	60.6
147.02910	1.1
147.04442	3.6
148.05214	5.1
149.06038	8.2
159.02940	1.6
159.04425	2.3
160.01617	57.9
160.05205	1.6
161.02147	3.6
162.03143	1.5
163.03984	2.9
172.17636	1.2
173.00899	9.3
173.04570	1.6
173.06004	1.4
174.03180	1.5
174.06841	5.3
175.03973	62.5
176.04512	5.3
177.01927	2.0
177.03963	2.5
178.02702	2.6
179.03343	1.4
188.04718	2.8
191.05583	5.0
191.07115	1.9
193.05048	49.1
194.05350	2.0
199.02472	91.3
200.02788	3.7
203.07149	1.5
217.05075	5.0
219.05023	7.9
231.06650	2.4
233.07977	5.9
233.09532	10.2
234.10278	1.2
235.06099	5.3
247.06053	1.7
247.83406	1.1
251.05605	1.2
281.88284	1.1
291.08789	5.2
305.06683	7.4
335.07797	30.6
336.08002	3.2
353.08844	9.5
395.09943	21.2
396.10358	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	394.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.4
59.01264	100.0
60.01598	1.5
61.30853	0.2
61.98716	4.2
63.57801	0.2
63.67467	0.2
71.01268	1.0
71.55373	0.2
73.02834	1.4
85.02841	0.5
87.00775	0.3
101.02339	0.6
113.02379	0.2
129.27028	0.2
135.04460	0.4
191.05611	0.3
231.14011	0.4
259.17108	0.3
333.17267	0.2
335.17209	0.3
351.18378	0.7
377.16394	0.4
395.17154	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	394.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77130	0.2
59.01260	1.0
61.98716	100.0
69.77444	1.4
78.95802	0.5
86.56882	0.2
100.66360	0.2
107.22897	0.2
251.23198	0.2
393.98431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	4.8
61.98719	57.7
71.59733	1.4
74.02390	0.8
74.26118	0.7
96.25204	0.8
119.04989	0.8
131.85889	0.7
133.02837	1.1
133.05211	1.3
134.03665	3.5
135.04449	13.8
147.04445	3.1
148.05246	39.4
149.05664	2.7
150.58914	0.8
160.03984	1.0
161.02229	0.9
161.04562	0.8
162.05563	1.3
176.03500	7.6
177.04247	2.3
178.05054	33.2
179.05409	1.5
190.05064	11.9
191.05508	1.3
253.08704	2.1
289.21198	0.9
289.64999	0.9
296.09372	2.5
297.10135	13.8
298.10568	1.5
312.12491	100.0
313.12790	10.0
313.23752	2.0
360.47586	0.8
394.18216	3.6
395.18762	1.3
414.54697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87681	0.9
59.01270	5.1
66.03365	1.8
67.01766	1.8
70.34644	4.4
71.01279	3.3
72.99199	12.7
81.03362	1.2
83.04937	1.9
85.02846	7.2
87.00765	2.4
91.05420	3.2
93.03362	12.9
98.02374	10.6
107.04951	15.2
108.02011	1.9
109.02844	6.0
111.04417	6.3
117.03377	5.8
119.04946	1.9
121.02876	9.8
123.04437	1.2
127.03987	1.2
129.05724	1.2
130.04195	1.5
130.06557	3.4
131.03696	1.8
131.04936	6.2
132.04460	6.0
133.06497	1.7
134.03667	3.0
134.06056	6.0
135.04446	44.5
136.04776	1.9
142.19789	1.1
144.04485	2.6
146.06082	1.2
147.04459	12.3
148.07645	1.1
149.06017	14.7
155.03461	5.0
158.06070	39.7
159.06363	2.1
173.04503	24.4
175.03960	3.5
176.07143	19.2
176.08575	2.3
177.05630	1.2
179.03465	7.8
184.03989	1.5
191.05591	56.1
192.05856	3.0
202.05103	22.5
203.05380	1.6
220.06154	100.0
221.06564	5.2
272.07791	2.3
289.93161	1.1
376.10413	2.9
394.11429	14.6
395.10706	1.9
407.82901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.0
59.01259	5.6
60.99186	1.9
66.03376	1.7
67.01781	4.1
69.03335	0.9
70.10555	1.8
71.01269	2.5
72.99198	8.4
73.02837	0.7
74.95179	0.5
78.95809	0.6
81.03355	1.5
83.04898	0.8
83.65998	0.4
85.02850	7.8
86.73857	0.5
87.00775	9.1
89.02325	1.1
93.03362	30.2
94.03724	0.8
98.02395	1.4
98.19862	0.6
99.00785	0.8
99.04411	1.0
101.02355	0.8
101.05978	0.7
106.06561	0.7
107.04940	7.3
107.17648	0.5
108.05305	0.5
109.02874	1.2
111.04434	4.8
113.02319	0.6
116.05044	0.5
117.03358	0.8
118.02927	0.5
119.04941	1.5
121.02869	2.0
123.04449	0.8
125.02355	0.7
127.03928	1.5
128.04974	0.5
129.01871	1.2
130.06528	1.6
131.04947	1.6
132.04466	1.0
133.02849	0.6
134.03676	1.1
134.06018	0.8
135.04460	7.0
144.04462	1.6
146.06039	0.8
147.04446	7.7
148.07593	1.9
149.05933	0.8
153.01857	0.6
154.76733	0.6
155.03468	1.5
156.04489	1.4
158.06081	7.7
163.03970	1.1
165.71216	0.6
171.02905	0.7
173.04518	24.0
174.05556	0.9
175.03967	1.3
176.07114	3.1
179.03487	1.5
184.04021	1.5
191.05586	100.0
192.05937	4.3
202.05090	14.2
203.05441	0.9
220.06155	52.1
221.06538	3.3
272.07840	3.9
334.16208	0.6
335.17105	0.6
353.08942	0.6
376.10431	1.9
394.11517	22.3
395.11752	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	394.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50023	0.5
51.58033	0.5
51.64915	0.5
59.01266	4.7
60.99180	1.3
66.03353	1.0
67.01774	3.0
69.03342	0.6
69.53359	4.6
70.49238	0.5
71.01263	3.6
72.99197	7.6
73.02833	0.8
81.03343	0.7
83.04897	1.2
85.02837	8.8
87.00764	7.0
89.02327	0.7
93.03358	21.3
94.03649	0.7
94.24178	0.5
98.02367	2.0
99.04376	0.6
101.02378	0.9
107.04925	4.0
109.02861	0.8
111.04430	4.4
113.02306	0.9
119.04947	0.8
121.02873	1.8
127.03922	2.5
129.01900	0.9
130.06506	1.0
131.04919	1.7
132.04533	0.6
134.03693	1.1
135.04413	3.8
137.02328	0.6
144.04453	1.2
146.06038	1.2
147.04474	5.4
148.07613	1.5
149.06004	9.6
156.04568	0.8
158.06100	3.8
162.91394	0.6
170.53302	0.6
173.04501	16.3
175.03993	1.9
176.07147	1.5
184.04044	3.3
191.05588	100.0
192.05911	4.2
201.04021	0.9
202.05089	11.7
203.03520	0.8
217.20973	0.6
220.06146	32.6
221.06496	2.4
248.08054	0.8
248.46490	0.6
272.07809	3.9
376.10400	5.1
394.11517	18.0
395.11386	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	394.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.5
59.01265	5.3
60.99187	1.8
61.98722	0.6
66.03373	2.3
67.01769	4.7
69.03350	1.0
69.75475	2.6
71.01269	3.8
72.99202	9.0
73.02824	0.7
75.54732	0.5
76.92275	0.5
78.95781	0.6
81.03339	1.0
81.83065	0.5
82.94920	0.5
83.04935	0.6
85.02843	8.1
87.00779	10.7
89.02341	1.4
93.03365	28.7
94.03708	1.2
96.95930	1.2
96.96897	0.6
97.02892	0.6
98.02380	1.4
98.06935	0.5
98.19822	1.0
99.00796	1.3
99.04411	1.5
100.55902	0.6
101.02336	1.4
104.15477	0.6
107.04942	6.9
109.02856	1.3
111.04432	5.3
113.02300	0.7
115.03899	0.5
117.03359	0.7
119.04942	2.0
121.02895	2.6
123.04437	0.7
125.02354	0.8
127.03957	2.1
129.01863	1.1
130.06577	1.3
131.03764	0.9
131.04964	1.5
132.04472	1.0
133.02910	0.9
134.03615	1.0
134.06081	0.8
135.04459	8.1
144.04492	1.3
145.14685	0.5
146.06004	1.4
147.04471	9.0
148.07663	2.5
148.08650	0.5
149.04512	0.6
149.06020	1.8
153.01819	0.7
155.03429	1.2
156.04488	1.4
158.06081	7.4
161.02362	0.5
163.04053	0.9
169.21120	0.5
171.03036	0.5
173.04521	27.6
174.05551	0.8
175.03938	1.8
176.07159	2.1
179.03458	2.1
184.04002	1.8
191.05594	100.0
192.05898	4.4
202.05121	12.7
220.06168	47.8
221.06487	2.9
230.34081	0.6
272.07864	2.7
273.08282	0.8
353.08871	0.8
376.10403	1.9
394.11536	20.4
395.11511	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70937	45.3
64.55064	53.7
66.03995	50.3
66.88599	49.0
98.19753	100.0
118.19039	50.3
186.49440	52.7
206.73682	58.8
300.69574	56.4
315.71738	60.2
416.47058	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	7.8
60.99186	1.0
61.98717	0.7
65.50642	0.6
66.03380	1.3
67.01778	3.3
69.03346	1.1
71.01266	2.6
71.62273	0.8
72.38832	0.5
72.99203	6.2
73.02845	0.9
78.95830	0.7
81.03376	0.8
81.93492	0.6
83.04974	0.7
85.02843	8.1
87.00771	7.3
93.03361	21.9
94.03711	0.6
97.02848	0.6
98.02394	2.0
101.02347	0.6
107.04936	3.5
109.02890	1.3
111.04438	4.1
117.03407	0.9
119.04958	1.5
121.02882	1.6
127.03946	2.6
129.29552	0.6
130.06525	0.6
131.04997	1.1
134.03676	2.0
135.04462	3.8
137.02309	0.6
144.04475	0.9
146.06078	1.3
147.04457	5.0
148.07623	1.4
149.06029	7.5
155.03464	1.5
156.04483	0.6
158.06104	4.0
160.01599	1.7
161.04512	0.6
163.03937	1.4
173.04521	14.7
174.05522	0.8
175.03990	2.6
176.07124	1.8
179.03485	0.9
184.04025	3.2
191.05586	100.0
192.05896	4.1
193.05016	1.5
201.04077	1.4
202.05080	11.7
203.05429	0.6
219.05165	0.8
220.06154	29.5
221.06500	2.2
248.07544	0.6
272.07898	4.1
332.50449	0.6
351.11011	0.6
376.10410	4.8
394.11530	20.4
395.11734	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2294
Annotation	Leopersin B
Peak:m/z	Relative Intensity
56.40448	0.2
59.01265	100.0
60.01608	1.7
61.01672	0.3
69.26732	0.5
69.27137	2.1
71.01288	0.4
73.65049	0.3
73.80102	0.2
89.02332	0.3
93.44424	0.2
96.95914	1.9
97.02881	0.4
101.02398	0.3
104.33054	0.2
121.06625	0.2
315.19696	0.3
333.20712	1.3
383.57962	0.2
393.19617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.3
57.03333	1.1
59.01264	100.0
60.01596	1.7
60.03234	0.3
61.01702	0.4
61.98718	0.6
62.92306	0.3
71.01271	4.4
71.57062	0.5
72.99198	2.0
73.02834	0.9
75.00768	5.0
78.95784	0.5
79.91552	0.4
79.95643	1.3
83.01276	0.8
83.04905	0.5
83.29637	0.3
85.02841	6.0
87.00775	2.5
87.27269	0.3
89.01842	0.3
89.02329	1.8
91.90588	0.3
93.03367	0.9
95.01278	2.1
96.95909	3.4
97.02863	1.1
99.00787	2.8
101.02368	0.5
103.00271	0.8
109.02871	0.4
113.01626	0.6
113.02357	7.5
115.00249	0.7
117.01855	1.2
119.04920	0.4
129.01819	0.5
129.77184	0.3
134.03683	0.4
143.10710	38.4
144.11069	1.9
157.01135	0.5
161.02393	0.4
161.04514	0.4
163.03860	0.3
173.04506	0.4
175.02412	0.9
182.55904	0.3
191.05573	1.2
191.13641	0.4
231.05132	0.5
249.06194	6.1
263.07526	0.5
275.09262	0.4
289.21692	0.8
289.56778	0.5
315.19781	0.7
321.20813	0.6
333.20792	2.7
334.21381	0.3
361.05688	0.5
375.16599	0.8
393.17715	26.6
394.18121	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	393.2291
Annotation	Leopersin B
Peak:m/z	Relative Intensity
50.24971	0.3
51.68269	0.3
59.01266	100.0
60.01592	1.1
61.98718	1.7
69.34612	0.7
69.35016	2.3
96.95924	2.0
97.02892	0.6
169.48596	0.3
191.03870	0.4
333.20700	2.8
393.19559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2295
Annotation	Leopersin B
Peak:m/z	Relative Intensity
57.06884	0.3
59.01266	100.0
60.01611	1.4
64.65556	0.4
71.01268	0.5
93.03384	0.5
96.95908	0.9
99.00781	0.3
102.98486	0.3
104.13218	0.3
177.39305	0.3
191.05603	1.1
201.68825	0.3
203.22702	0.3
333.20908	2.0
334.84360	0.5
393.19067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2293
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
59.01266	100.0
60.01599	1.2
61.98710	1.2
66.02305	0.4
69.41970	2.1
69.42377	0.6
86.60170	0.3
90.88108	0.3
98.19874	0.8
105.64301	0.3
176.99509	0.4
199.76050	0.3
315.19751	0.5
333.20825	4.3
334.21249	0.7
350.05057	0.4
357.26611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15881	0.4
59.01268	100.0
60.01610	1.2
60.13869	0.3
66.08820	0.3
69.03364	0.7
71.04906	2.8
71.20951	0.8
72.53575	0.3
88.69577	0.3
89.74350	0.3
96.95958	0.5
101.55894	0.4
123.08062	0.4
133.02919	0.5
134.03719	1.2
134.40831	0.3
135.38147	0.3
142.27556	0.3
147.11726	4.8
188.08394	0.4
189.09186	0.6
249.14998	5.0
250.15465	0.7
254.08206	0.4
261.15002	15.6
262.15387	1.7
275.09399	1.0
289.22031	0.8
333.20874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.3
61.98716	0.5
80.48917	0.3
83.04919	100.0
84.05244	2.5
85.03435	0.3
98.20679	0.5
124.96555	0.3
165.25330	0.4
393.22903	3.3
394.23752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2291
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
54.27183	0.8
57.44710	0.7
59.01265	100.0
60.01607	1.7
61.98717	2.6
68.91418	0.7
69.33704	6.7
71.01270	1.5
78.95806	2.4
83.01278	5.2
85.02849	0.9
87.00785	1.4
96.95888	0.6
97.02880	1.6
99.04464	0.8
101.02338	1.4
109.06528	1.2
110.93758	0.7
113.02396	0.8
135.04535	0.9
136.77376	0.7
140.41397	0.6
155.06180	0.7
161.04509	0.8
163.07823	0.6
163.11282	0.9
171.46855	0.7
248.69995	0.7
271.20892	0.9
289.21820	2.3
303.19748	1.3
333.20850	15.2
334.21222	2.2
375.18390	0.7
380.29221	0.7
393.19229	9.3
394.15048	0.7
394.19638	1.4
410.23651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	5.8
59.01265	56.8
61.98703	4.4
70.57462	1.5
71.01270	2.1
71.57732	2.6
78.95789	2.1
99.04431	4.7
121.10126	2.0
123.08070	1.7
125.09621	2.6
127.11198	4.5
139.11214	42.2
155.10747	2.6
165.09053	2.1
171.10226	51.1
183.10208	4.1
185.11827	10.4
193.08438	85.6
194.08751	4.1
199.02953	1.4
201.11319	4.6
219.51968	1.4
225.09966	1.8
247.20592	2.0
253.09291	8.5
267.10754	2.9
271.33685	1.5
275.20135	3.7
289.21826	4.4
293.21320	15.7
311.22342	100.0
312.22726	8.4
315.19504	13.3
330.72906	1.4
333.20676	17.0
377.19540	2.6
393.22330	15.9
406.27914	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59516	0.8
57.03323	2.0
57.21466	1.0
59.01266	45.0
61.98712	2.1
69.03335	0.9
69.31760	5.2
69.32198	4.2
74.32737	0.9
79.34806	0.9
83.04918	1.0
85.02843	1.1
95.73315	0.8
98.83753	0.8
99.04424	2.6
101.02335	1.2
117.27811	0.8
123.08028	1.2
125.09663	2.4
127.11221	4.1
139.11224	22.1
153.09096	1.2
155.10774	1.9
165.09058	1.3
167.10760	1.3
171.10226	40.5
172.10649	1.3
177.09114	1.0
179.10498	2.0
183.10217	3.4
185.11748	6.3
193.08458	10.7
197.11804	1.7
201.11311	8.6
207.10022	24.4
208.10440	0.9
211.13414	2.7
219.10042	2.7
223.11844	1.5
228.48645	1.1
233.11554	8.4
247.20752	3.8
251.11346	1.1
253.09329	3.2
267.10831	1.6
275.20236	2.3
293.12436	1.2
293.21280	9.4
311.22351	100.0
312.22708	9.2
315.19482	30.9
316.19879	2.5
333.20551	28.7
334.20804	2.1
377.19434	9.6
391.68307	0.9
393.21973	13.0
394.21866	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	393.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04879	0.2
54.94905	0.2
59.01265	100.0
60.01603	1.0
61.98726	0.9
69.84313	1.2
96.95907	2.0
123.92388	0.2
137.54312	0.2
156.19252	0.2
171.08940	0.2
191.56651	0.2
240.97112	0.3
292.80209	0.2
295.22385	0.2
333.20844	0.9
393.19870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2143
Annotation	JBIR-56
Peak:m/z	Relative Intensity
52.25238	0.4
55.01767	1.2
55.92759	0.3
57.03323	1.6
58.00466	1.0
59.01266	30.0
60.01601	0.8
65.46844	0.4
67.01779	0.9
69.03343	0.9
69.32400	4.4
69.38371	0.4
71.01273	15.6
72.99191	1.4
72.99545	0.4
73.02847	3.7
81.03363	0.3
83.01269	2.3
85.02846	7.1
87.00775	3.8
89.02339	9.3
93.03358	4.2
95.01270	1.5
96.95919	0.5
97.02855	0.4
97.06499	1.9
98.20547	0.9
99.00795	2.8
101.01692	0.9
101.02348	10.8
108.32364	0.4
111.00768	1.4
111.04474	0.9
112.61014	0.4
113.02351	4.8
119.03452	2.1
119.04940	2.5
125.02338	1.2
127.03985	0.5
131.03418	1.2
133.02888	0.5
134.03691	0.5
135.04460	2.3
143.03401	0.5
147.04456	0.5
149.04507	2.8
155.03433	0.7
161.04547	0.7
163.03983	2.2
168.67880	0.5
171.10228	1.2
173.04500	2.8
178.02628	0.6
179.03438	0.5
179.05600	1.0
191.05600	13.6
192.05914	1.1
203.10892	0.4
213.14914	3.5
215.02570	0.5
229.14499	1.3
231.16031	31.4
232.16414	1.7
235.06207	1.5
251.07491	0.4
253.08780	1.1
257.05658	1.7
257.55777	0.9
263.13226	0.5
270.72968	0.5
275.09351	1.1
279.06674	1.4
306.09619	0.4
308.09311	0.5
333.19385	1.4
337.09354	1.3
375.20468	1.8
393.21420	100.0
393.61990	1.0
394.21756	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	393.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41183	0.2
55.01772	0.4
57.03329	0.3
59.01267	100.0
59.74485	0.2
60.01607	1.3
69.41676	0.2
71.01272	7.1
72.99212	0.2
73.02842	2.2
76.89938	0.2
83.01295	0.8
85.02844	3.4
85.03365	0.2
87.00781	0.6
89.02343	2.4
89.03970	0.2
91.16192	0.2
93.03338	0.9
94.04207	0.2
95.01325	0.5
97.02872	0.2
97.06509	0.5
98.20625	0.3
99.00797	0.8
101.02350	6.4
111.76753	0.2
113.02363	3.3
119.03386	0.8
119.04941	0.4
135.04451	1.0
136.04834	0.2
143.03461	0.7
151.04004	0.2
155.03429	0.2
156.32584	0.2
159.02951	1.1
161.04507	8.1
162.04865	0.3
163.03986	0.5
171.13828	0.2
173.04495	0.5
179.03531	0.3
179.05733	0.3
191.05595	3.0
192.06067	0.2
209.11958	0.3
233.62157	0.2
235.06165	0.2
253.08978	0.4
279.07016	0.2
312.18561	0.2
313.50980	0.2
333.19269	13.5
334.19623	1.3
337.09329	0.3
393.11725	0.4
393.21472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01599	1.2
71.58607	0.5
96.95927	0.7
162.67146	0.3
178.82181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45397	0.2
52.34563	0.2
55.01766	0.5
57.03343	2.9
58.00457	0.2
58.86038	0.2
59.01265	100.0
59.70997	0.2
60.01600	1.1
61.98706	0.3
63.41670	0.2
69.28472	1.1
69.28899	0.8
71.01272	4.7
73.02834	1.7
73.90290	0.2
75.00749	0.3
83.01293	0.8
85.02843	2.2
87.00781	0.6
89.02335	1.5
95.01289	0.3
96.95923	0.3
97.02866	0.3
99.00801	0.6
99.04430	2.0
101.02348	4.9
111.00805	0.3
113.02353	2.0
119.03424	0.6
125.02390	0.8
129.01903	0.2
131.03468	0.2
143.03468	0.4
146.84200	0.2
147.04475	0.2
150.10411	0.2
159.02974	0.6
161.04492	3.7
173.04649	0.3
185.56409	0.2
191.05627	0.6
194.10591	0.2
213.11656	0.2
240.51550	0.2
249.13554	0.8
289.95923	0.2
333.19266	14.4
334.19534	1.5
393.21475	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	393.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18754	0.3
53.89380	0.2
54.91602	0.3
55.01771	0.9
57.03334	1.1
58.00481	3.4
59.01265	85.3
60.01598	1.2
61.98711	0.4
69.03339	1.2
69.25259	1.6
69.25687	1.0
71.01270	62.7
72.01603	0.9
72.99194	2.8
73.02837	16.2
74.03162	0.3
75.00773	0.5
81.03344	0.4
83.01269	1.9
85.02846	7.7
87.00784	2.6
89.02338	100.0
90.02676	1.7
93.03344	0.6
95.01289	2.6
97.02855	1.3
99.00781	25.2
100.01136	0.4
101.02348	36.8
102.02676	0.9
113.02361	14.8
115.03918	1.3
117.52582	0.3
119.03423	14.2
124.54776	0.2
125.02373	4.1
131.03427	15.5
132.03767	0.3
143.03430	3.0
149.04498	48.2
150.04880	1.7
150.37144	0.2
161.04497	3.8
162.04875	0.3
163.04053	0.3
163.20032	0.2
173.04483	0.6
179.05580	7.7
179.07182	0.4
180.05870	0.3
191.05583	13.4
192.05872	0.7
221.06635	2.2
233.06726	1.0
251.07779	4.2
252.08128	0.3
261.13489	1.5
275.07944	0.3
286.62759	0.3
293.08786	0.9
302.79993	0.3
311.09839	0.4
333.19434	0.2
393.17758	29.1
394.18124	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	393.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	3.5
57.03341	2.3
57.74313	0.4
57.82511	0.4
58.00479	1.2
59.01268	28.9
60.01640	0.4
61.08558	0.4
61.59303	0.4
69.03348	1.3
70.85904	0.5
71.00339	1.1
71.01273	43.0
71.04857	0.4
72.01620	0.6
72.99219	2.1
73.02837	22.1
75.00776	1.6
81.03394	0.5
83.01282	9.1
85.02845	21.1
86.00008	0.8
86.03168	0.8
87.00762	3.0
89.02344	8.0
93.03368	3.1
95.01300	3.5
96.95917	0.7
97.02835	2.0
99.00785	9.6
99.04472	0.4
99.08066	0.9
101.02348	41.2
102.02706	1.1
107.04893	0.6
111.00814	1.5
111.04443	0.5
113.02361	18.7
114.02715	0.6
115.03920	1.2
119.03397	0.5
119.04953	0.8
123.99268	0.4
125.02376	2.8
129.01855	1.7
131.03471	2.1
135.04503	0.6
137.02437	0.5
143.03444	2.0
149.04488	0.9
149.06033	0.7
157.82034	0.5
158.06082	0.5
159.02971	3.4
161.04506	16.2
163.03990	0.8
169.08592	0.7
173.04518	1.7
191.05609	11.2
191.07310	0.6
202.05022	0.5
205.03429	0.8
220.06168	1.9
233.06676	1.8
243.52553	0.4
261.13498	57.2
262.13815	4.3
293.09024	0.7
302.10501	0.4
305.12439	1.0
333.15549	0.9
337.09265	0.6
393.17758	100.0
394.12128	0.8
394.18073	11.5
395.53915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.1
56.79227	0.6
57.03341	100.0
58.03672	1.5
59.01267	91.7
60.01603	1.8
63.24326	0.6
65.01337	0.8
71.01269	15.4
72.99187	0.9
73.02840	7.2
73.68675	0.6
78.95797	17.8
81.03324	1.2
83.01273	4.8
85.02843	9.5
87.00764	3.2
89.01136	0.8
89.02349	1.8
91.02920	0.7
93.03356	3.6
95.01288	1.2
96.96864	13.2
97.02826	0.9
97.06464	2.9
99.00745	2.3
99.04424	78.3
100.04733	2.0
101.02349	36.8
102.02650	1.3
111.00771	1.1
111.04408	1.3
113.02363	6.3
119.04912	2.0
125.02370	22.4
126.02613	0.6
129.01833	0.6
132.05605	3.6
134.03558	1.1
135.04393	2.3
143.03328	1.8
147.04379	1.0
151.07518	1.6
155.03386	0.9
159.02847	1.6
159.06706	0.7
161.04504	6.0
163.03809	2.1
173.04382	1.7
178.02538	1.5
179.03271	1.0
191.05603	12.4
192.05714	1.3
192.80917	0.8
195.06624	6.4
204.80537	0.8
207.03935	0.7
233.09515	15.4
234.09610	1.5
235.05881	0.9
248.25125	0.7
249.08720	1.6
249.13470	28.9
250.13448	1.7
253.08348	1.1
275.09009	1.3
279.06357	1.2
291.14505	3.1
319.74695	0.7
337.08908	1.4
357.11661	0.9
375.13998	1.0
393.17215	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	392.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.8
61.98720	100.0
63.91731	0.2
69.80916	1.5
73.31212	0.2
100.80347	0.2
216.10220	0.2
262.06018	0.3
293.76108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14414	1.2
55.01759	2.1
56.88076	1.1
59.01267	100.0
60.01598	12.8
67.62952	1.2
68.99696	1.2
69.03343	29.8
69.34064	1.2
69.65289	7.5
69.65707	2.1
70.02316	1.3
70.03693	7.5
71.01274	3.8
78.95808	5.7
81.03346	2.4
83.01279	11.7
83.04916	1.9
84.01604	2.9
85.02840	5.2
87.00776	81.9
88.01112	13.8
88.02856	1.2
92.08076	1.2
93.03354	6.1
94.03650	1.4
95.01311	6.8
95.04935	1.9
96.01602	2.1
96.96865	4.3
97.02859	23.3
98.03190	7.1
98.20584	1.7
99.00773	2.1
109.02839	1.8
111.00796	54.7
111.04450	6.3
112.01131	14.5
112.04748	2.5
112.42823	1.1
113.02311	1.8
115.00242	3.2
121.02856	2.7
122.03176	2.3
132.05452	1.2
139.03937	3.1
140.04285	2.0
141.01888	25.1
142.02255	11.6
145.06544	2.0
146.06873	1.6
147.04469	37.1
148.04807	32.1
149.05000	1.3
173.04582	1.7
183.02939	5.2
184.03296	3.5
187.07582	1.4
191.05530	6.7
201.04042	21.2
202.04384	14.3
222.62297	1.3
233.09485	5.5
243.05103	4.3
244.05417	4.5
252.79605	1.5
331.08337	1.6
332.08649	11.6
350.09705	1.8
360.00739	1.4
392.10754	25.7
393.11026	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	391.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78731	2.3
59.01263	100.0
62.86093	2.1
70.96547	5.5
71.01269	3.7
71.65954	2.1
73.61272	2.2
78.95798	3.9
89.02366	2.1
124.20842	2.1
130.86516	2.1
152.99573	6.0
255.23299	25.2
331.17657	7.3
391.19501	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	391.2499
Annotation	(+)-Dihydrocompactin
Peak:m/z	Relative Intensity
51.85220	0.7
59.01263	41.2
60.99178	1.0
69.03345	38.3
69.42406	4.7
69.42815	2.0
71.01265	4.9
71.04913	3.8
73.02838	0.9
78.24274	0.7
85.02795	0.8
87.00745	0.8
89.02337	54.7
90.02645	1.3
98.19738	1.5
99.04408	1.9
101.02339	1.1
113.02335	1.4
116.92757	1.3
126.45482	0.9
161.04504	1.8
165.12776	2.8
231.63950	0.7
273.22296	1.2
275.23856	97.5
276.24197	10.2
301.21738	8.1
302.21878	0.9
319.22842	83.0
320.23145	9.9
320.34802	0.8
331.17526	3.3
345.27899	2.5
391.24826	100.0
391.28497	7.7
392.25275	15.6
392.29941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	39.7
70.73664	3.4
71.01295	1.4
73.02859	1.1
74.00288	0.9
78.95793	4.7
86.73805	1.0
91.69997	0.9
101.02309	1.8
139.91179	0.9
152.99518	18.7
161.04475	1.5
170.74200	0.9
182.28227	1.2
186.75850	1.0
238.40379	1.1
255.23337	100.0
256.23682	8.4
331.17648	2.8
391.22720	10.9
392.23108	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	391.2136
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
51.25049	0.7
59.01265	100.0
60.01600	1.4
62.09533	0.7
67.10296	0.7
69.03352	2.8
69.43216	6.3
71.01303	1.4
79.02950	0.7
85.02841	9.4
87.00788	1.1
97.02855	60.6
97.06501	2.9
98.03178	1.1
99.04420	1.1
109.02892	2.6
123.04473	1.1
127.07578	14.8
151.86153	0.8
161.04478	0.9
163.11186	1.3
165.05542	11.0
165.09167	1.4
187.11269	1.0
189.12842	7.0
191.07109	4.4
203.14435	4.6
205.08667	6.1
206.09183	0.7
207.10326	3.2
217.00325	1.2
221.15495	12.1
222.15961	1.4
269.19147	4.6
281.24631	0.8
283.17059	3.2
287.20282	3.1
313.18164	59.4
314.18555	6.9
331.19226	94.6
332.19559	13.5
349.20279	1.3
350.20566	0.8
373.20181	7.4
374.20587	1.0
391.16330	1.3
391.21310	22.4
392.21628	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	391.2136
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
54.29473	1.0
57.03345	1.4
58.00482	1.5
59.01264	67.1
60.01586	1.4
61.33204	1.2
69.03351	2.6
71.01266	14.6
72.99205	1.7
73.02832	22.3
81.03314	1.4
83.01289	2.8
85.02870	3.4
87.00780	5.4
89.02321	4.1
93.03368	2.8
95.01322	1.4
96.95917	1.4
97.02866	4.9
97.06507	2.0
99.00787	2.5
100.01575	12.8
101.02349	8.7
107.26280	1.4
109.02911	2.0
109.06487	1.6
111.00794	4.6
111.04413	1.8
113.02379	3.8
115.00299	1.5
121.06518	2.6
123.08076	18.5
125.09646	1.3
130.38307	1.2
135.04428	2.1
139.03943	2.2
141.01846	7.2
141.09152	1.8
147.04437	7.1
151.04008	1.2
161.04573	3.0
161.06067	3.8
161.09610	1.6
163.11229	2.2
165.05537	1.8
169.08649	19.5
169.12268	3.1
173.09648	2.0
175.07600	3.4
185.09669	1.4
187.11266	2.6
188.07123	8.4
189.09178	7.0
191.05566	3.8
191.07101	26.1
192.07484	3.0
193.05028	1.3
199.09564	1.4
203.07210	1.4
203.10794	2.8
203.14467	1.4
205.08717	18.8
206.09291	3.5
207.10394	2.4
213.15016	1.4
217.08809	2.2
218.09494	1.7
221.08217	4.9
233.08319	1.5
248.10698	1.9
249.06068	1.5
261.13461	2.7
264.45294	1.4
266.11670	4.3
267.07220	1.3
285.18787	1.5
287.20499	2.2
289.18195	1.9
299.20242	1.7
303.19852	2.5
311.20175	2.9
313.18304	5.3
315.19778	4.7
329.21271	19.0
330.21790	2.1
331.08429	5.1
331.19257	96.3
332.19659	9.7
343.19254	4.6
345.20862	4.6
347.22440	4.8
349.15189	1.3
349.18933	3.4
355.19272	4.3
361.20395	3.5
363.21857	23.1
364.22272	3.6
373.20355	9.1
391.10995	2.7
391.21365	100.0
392.21646	12.9
405.46005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2137
Annotation	Sinuolatin C
Peak:m/z	Relative Intensity
59.01266	100.0
60.01612	1.0
69.15146	0.3
69.63912	1.5
69.64318	0.8
71.01282	1.1
73.02854	0.7
74.73267	0.3
91.02051	0.3
97.06505	0.4
99.65784	0.3
134.03673	0.4
137.02335	0.6
147.04536	0.8
163.11310	1.0
191.05623	0.8
207.10373	0.4
213.14970	0.8
231.10347	0.4
243.04895	0.6
275.09531	1.0
295.74173	0.3
331.19272	6.1
332.19617	0.9
374.25922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2135
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
58.00478	0.9
59.01269	26.0
61.17134	0.7
69.03348	1.7
71.01274	3.8
71.09914	0.8
71.10281	1.9
72.02043	2.2
73.02841	8.0
81.28118	0.8
85.02837	1.6
87.00774	0.8
93.03362	1.9
95.04900	0.8
97.02860	5.2
97.06499	1.1
99.00751	1.0
100.01574	14.8
101.02332	2.7
107.04958	0.8
109.02872	0.7
109.06518	1.2
111.00790	1.9
121.06522	1.3
123.00753	1.1
123.08098	3.9
125.06021	1.0
128.04765	1.2
128.85973	0.7
135.04451	1.3
137.02408	0.8
139.07538	1.3
141.01889	4.8
141.09140	1.6
147.04477	18.1
147.08090	3.1
148.04846	1.7
157.10095	1.2
159.08116	1.8
161.09680	4.0
163.03954	1.6
163.07545	1.2
163.11243	4.1
165.05605	0.9
168.07799	0.9
169.07256	1.2
169.08667	20.5
170.09039	1.4
171.08130	5.0
173.09663	1.0
175.07605	1.2
175.11246	1.9
177.09186	1.7
178.09509	0.7
185.09656	3.9
187.07640	2.0
189.09190	6.5
191.07124	29.0
191.10701	2.4
192.07428	1.7
193.08662	0.7
201.09186	10.3
202.09868	3.0
203.07190	1.1
203.10744	6.6
204.11578	3.8
205.08693	21.8
206.09215	2.8
207.10233	1.8
208.10756	0.8
209.04591	0.9
218.09500	1.7
221.08159	2.8
229.08707	5.3
229.12233	0.8
230.09163	0.9
233.08078	0.7
247.09796	8.2
248.10519	4.9
249.11162	1.4
266.11676	4.3
269.19168	1.5
287.20316	2.2
289.18161	1.5
303.19650	1.8
311.20142	0.8
313.18253	2.7
315.19730	2.3
317.21228	0.8
319.22998	0.8
327.19797	3.1
329.21359	4.8
331.08331	2.9
331.19232	90.8
332.19632	11.3
335.22388	0.9
343.19168	2.6
345.20670	2.8
347.22339	5.0
355.19263	1.7
361.20236	3.0
363.21848	9.4
364.22043	1.1
373.20233	10.0
374.20523	0.9
391.10550	2.6
391.21371	100.0
392.21613	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	391.2137
Annotation	Oleaxillaric acid
Peak:m/z	Relative Intensity
54.09945	0.5
59.01269	100.0
60.01612	0.8
61.98721	1.2
63.81049	0.6
69.80545	0.5
71.01285	2.3
71.58231	0.8
73.02815	0.6
78.44975	0.5
78.95778	2.7
81.42805	0.6
83.01306	2.5
93.94294	0.6
96.95925	1.6
96.96863	5.1
99.04430	0.6
101.02367	0.9
109.06519	0.9
113.02380	0.6
118.70940	0.6
137.09686	1.7
161.04559	1.0
168.74498	0.6
171.10294	0.9
177.09247	2.3
179.10855	0.8
192.11656	1.2
193.08511	2.6
217.00336	1.9
220.14722	4.2
221.15475	8.1
236.10530	7.6
236.12662	0.8
236.55455	0.6
237.10994	0.8
247.17226	2.4
287.20233	26.1
288.20795	2.3
293.17694	4.0
331.19339	6.3
332.19217	0.6
334.07385	6.0
337.13431	0.6
351.11374	0.7
391.18011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2136
Annotation	Oleaxillaric acid
Peak:m/z	Relative Intensity
55.01777	0.4
55.15308	0.2
59.01266	100.0
60.01600	1.0
61.98721	0.7
70.88403	0.8
71.01268	1.8
73.02845	0.5
75.17844	0.3
78.95776	0.3
81.35570	0.3
83.01282	2.3
83.04903	0.4
85.02874	0.6
87.00780	0.5
89.02303	1.4
98.53041	0.3
99.04427	0.6
101.02359	1.1
107.04935	0.3
109.06549	0.9
111.08046	0.3
113.02381	0.7
115.09009	0.4
119.03407	0.5
137.77609	0.3
161.04526	0.8
177.09196	2.4
179.10808	0.6
217.00299	0.3
239.39166	0.3
247.17125	0.9
273.14868	0.5
287.20233	23.1
288.20590	2.8
291.19778	0.4
313.18024	0.5
323.81363	0.3
331.19339	5.0
332.19595	0.5
391.20834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.214
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
50.88342	0.9
53.69389	1.0
56.21091	1.0
59.01268	100.0
59.05259	1.1
61.98720	2.4
70.45668	1.1
71.01250	1.4
71.58035	1.5
71.58466	1.5
73.02810	1.2
76.25510	0.9
83.01257	1.4
85.02884	1.7
87.00753	1.1
89.02320	1.6
91.00525	1.1
91.67758	1.0
96.95905	1.0
101.02357	2.1
149.09694	3.9
161.04509	1.5
177.09132	1.9
189.12779	1.4
217.00331	1.4
259.20712	4.1
287.20364	1.7
331.19284	43.2
332.19547	5.9
360.83258	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2136
Annotation	CHEBI:67351
Peak:m/z	Relative Intensity
55.01776	0.2
59.01265	100.0
60.01598	1.2
69.03349	0.4
69.29713	0.9
69.30141	1.0
71.01265	0.4
73.02845	0.2
85.02840	0.2
85.86111	0.2
87.00788	0.8
89.02334	0.2
96.95912	0.9
97.02840	0.3
98.19763	0.4
101.02370	0.5
111.00816	0.7
121.06532	0.8
126.14301	0.2
135.04491	0.2
141.01860	0.4
147.04471	0.6
161.04445	0.3
177.29698	0.2
189.09332	0.2
191.05635	0.2
201.04056	0.4
243.05049	0.2
269.19144	0.3
313.18134	3.0
314.18567	0.4
331.18906	0.4
391.10440	0.2
391.18521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2133
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
57.32069	1.3
59.01264	100.0
60.01595	1.7
71.01267	7.9
71.57317	2.1
72.99195	1.5
73.02834	13.6
75.00773	1.8
78.95802	4.4
79.95638	1.2
85.02831	3.2
87.00780	2.4
89.02348	2.0
92.51923	1.2
97.02843	6.8
99.00771	1.5
100.01574	11.1
100.27373	1.2
101.02346	5.7
107.13543	1.1
113.02357	3.2
119.04939	18.3
121.06540	1.5
123.08070	2.1
133.10208	1.7
135.04413	1.4
135.74034	1.6
139.03868	1.3
141.01906	3.8
145.02885	2.8
145.10141	1.9
147.08076	2.5
159.08159	1.7
161.04507	3.0
161.09662	3.8
163.11226	4.2
168.07953	1.8
169.08661	17.5
171.08148	2.5
173.09721	1.7
177.09198	1.8
185.09732	2.7
187.07538	1.3
189.09187	5.8
191.07091	30.7
201.09184	12.9
202.09856	3.7
203.10756	6.2
204.11526	4.2
205.08684	21.6
206.09222	1.6
207.10292	3.1
218.09555	1.2
219.10301	1.3
221.08195	2.1
221.11868	1.6
229.08763	3.3
243.11339	1.5
247.09888	6.3
248.10571	3.4
266.11755	4.6
269.19186	1.4
313.18173	2.1
315.19635	1.7
327.19809	3.1
329.21371	4.6
330.21939	1.4
331.19254	80.9
332.14636	5.4
332.19589	10.8
345.20743	4.6
347.22336	4.2
361.20294	2.1
363.21777	13.9
373.20331	8.7
391.21423	75.7
392.21851	9.7
405.04248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59409	1.6
57.03334	7.5
59.01266	100.0
60.01606	1.7
61.98718	2.3
69.03349	5.3
71.01272	3.6
71.57862	1.9
78.95823	2.3
83.07613	1.7
87.00775	2.4
88.59920	1.5
89.02344	3.3
99.04431	2.4
99.92495	2.8
101.02330	3.1
107.08587	1.7
111.08058	2.5
119.08571	11.7
125.09614	4.9
127.11189	2.8
137.09654	37.7
138.09929	2.3
139.11247	4.0
147.04430	1.9
151.11293	2.0
155.10699	2.3
167.10727	4.3
171.10228	68.0
172.10513	3.6
178.95876	1.7
183.10187	1.8
183.85678	1.7
185.11812	14.6
193.08415	11.8
197.11888	3.1
197.53075	2.1
201.11363	6.5
207.08064	3.9
207.10019	75.5
208.10457	4.0
211.08261	2.1
211.13394	2.4
213.11299	4.4
217.00365	5.1
219.09828	2.4
223.11961	2.2
227.18062	2.9
245.19151	7.8
253.09363	6.1
267.10840	3.5
273.18716	4.9
291.19778	20.2
295.16977	2.2
309.20786	72.2
310.21185	8.2
313.17920	74.3
314.18405	9.9
331.17993	3.6
337.13409	2.5
373.19165	3.2
391.02484	1.9
391.20609	13.1
391.25244	3.1
400.39703	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	391.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	2.3
59.01271	78.8
61.98723	1.3
69.03344	9.7
71.01266	4.8
71.25270	2.6
73.02845	3.4
79.94488	1.2
83.04898	2.8
83.43543	1.4
85.02847	3.7
87.65537	1.4
89.02361	2.0
93.03366	1.9
95.04943	1.8
97.02863	79.8
97.06479	5.7
98.03212	2.0
99.04437	1.3
99.92515	2.7
100.58578	1.8
101.02343	2.1
111.08076	2.9
116.16515	1.4
119.08576	4.6
121.06522	1.9
121.10159	1.5
125.09655	4.0
129.30743	1.2
137.09674	25.2
138.09940	1.7
151.03946	3.0
151.07596	10.6
152.08284	4.5
161.04472	2.1
165.12787	2.7
167.10712	1.9
171.10228	25.8
172.10515	2.4
177.12848	2.0
184.07394	2.5
185.11818	2.4
193.08453	18.3
195.13852	3.0
207.10028	19.0
209.15465	5.3
210.00211	2.1
212.01831	1.3
215.10490	1.8
221.11926	5.0
233.11644	17.4
239.12886	3.8
261.11130	5.6
263.16541	3.3
265.18100	1.6
267.10898	2.1
273.18750	2.0
285.14816	2.9
287.16428	8.4
289.21860	1.9
291.19687	10.6
292.20123	2.0
309.17300	4.7
309.20786	100.0
310.21136	9.4
313.14325	6.1
313.17935	15.6
314.18173	2.2
331.15277	23.9
331.18954	21.5
332.15674	2.3
358.39444	1.4
375.17950	2.8
391.20700	13.5
392.20840	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	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.3
57.03331	0.6
58.00478	1.8
58.09425	0.4
59.01266	100.0
60.01583	0.7
69.03335	2.6
71.01271	50.6
72.01604	1.2
72.99195	2.5
73.02838	80.2
74.03182	1.6
75.00764	1.0
81.03349	1.1
82.82245	0.4
83.01278	22.9
85.02853	4.2
87.00768	3.0
89.02337	11.1
93.03366	0.6
95.01299	1.6
97.02855	2.3
98.19822	1.0
99.00810	1.8
99.04440	0.4
101.02348	67.1
102.02685	1.5
103.03956	0.4
105.15775	0.4
111.00819	1.4
113.02356	11.4
117.01832	0.5
119.03422	3.1
120.99603	1.2
125.02373	2.6
131.03458	3.9
134.03706	0.5
141.01855	0.8
141.12770	1.1
143.03471	3.7
147.04446	1.4
149.04498	3.0
155.03476	1.6
161.04509	10.3
168.82443	0.5
169.12300	4.7
173.04477	0.7
187.13354	4.0
191.05579	1.2
203.05666	0.8
221.06770	0.6
275.09430	0.5
331.08215	0.7
331.17865	1.9
349.18771	7.4
350.19104	1.0
391.19833	59.3
392.20126	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	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01614	1.3
69.54645	2.8
69.55058	0.9
71.01265	4.3
73.02854	1.1
85.02850	2.2
87.00829	0.4
89.02346	1.0
91.99410	0.4
95.01255	0.5
96.95929	1.4
98.20524	0.9
99.21591	0.4
101.02330	4.1
113.02389	2.3
145.02972	1.0
146.63133	0.4
161.04515	4.4
163.03972	0.5
191.05630	2.5
204.36415	0.5
223.27090	0.4
245.04619	0.4
258.28387	0.4
287.13950	0.5
331.17682	11.5
332.14297	0.4
332.18213	1.5
375.16721	0.9
391.19922	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	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29259	0.2
53.86590	0.2
58.16812	0.2
59.01266	100.0
60.01614	1.2
60.01880	0.3
69.35882	1.7
71.01279	0.7
78.02315	0.2
82.23348	0.2
85.02870	0.3
93.03384	0.2
97.06477	0.3
101.02374	0.4
135.04437	0.2
137.02428	0.2
147.04471	1.1
160.57706	0.2
161.04553	0.3
191.05592	0.4
200.99672	0.2
225.96204	0.2
243.05038	0.4
275.09406	0.5
289.16858	0.3
299.01971	0.2
331.08414	0.3
331.19308	0.9
338.74835	0.2
391.19733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.9
57.00051	0.3
57.03343	1.1
58.00488	2.1
59.01267	100.0
60.01612	1.9
61.48417	0.4
68.82549	0.4
69.03343	1.2
69.21852	0.3
69.61280	2.7
71.01273	45.1
71.04914	0.6
72.01617	0.8
72.99203	1.9
73.02839	44.5
73.22658	0.4
74.03189	0.8
75.00771	0.6
81.03357	0.6
83.01279	12.7
83.01786	0.7
85.02845	6.7
86.53757	0.3
87.00770	3.0
89.02340	19.1
93.03316	0.5
93.67193	0.4
95.01283	2.1
97.02856	1.2
98.19856	0.8
99.00780	1.6
99.08072	0.7
101.02349	39.2
102.02676	1.0
113.02363	13.0
113.09637	0.6
119.03425	7.8
125.02378	1.1
131.03427	2.1
135.04437	0.4
141.09163	0.4
141.12787	1.9
143.03401	2.0
149.04510	1.5
155.03424	0.9
161.04512	5.4
161.67690	0.3
169.12299	18.6
170.12631	1.3
179.05528	0.5
187.13376	6.8
188.13649	0.5
191.05640	0.5
230.50620	0.4
239.49643	0.3
331.17722	12.2
332.18054	1.3
349.18753	44.6
350.19052	4.8
391.19833	66.8
392.20172	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	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68842	0.2
59.01265	100.0
60.01604	0.8
64.01735	0.2
64.66629	0.2
69.03342	0.3
69.62406	2.0
71.01279	0.9
73.02853	0.8
75.71774	0.2
83.01305	0.4
85.02843	0.4
87.00790	0.8
91.23901	0.2
96.95901	0.6
97.02856	0.4
101.02343	0.5
111.00798	0.7
121.06542	0.5
139.03931	0.3
141.01917	0.5
147.04459	0.9
189.09247	0.4
313.18094	2.2
331.18149	0.2
391.19186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.2
58.00477	1.3
59.01266	100.0
60.01604	1.2
69.03346	2.9
71.01273	39.6
72.01633	1.0
72.99208	1.6
73.02837	67.1
74.03178	1.2
75.00775	1.0
81.03378	1.2
83.01278	19.5
85.02850	3.2
87.00777	1.9
89.02329	6.5
95.01282	1.2
97.02861	2.6
101.02351	54.4
102.02689	1.6
111.00817	2.3
113.02362	11.0
119.03436	3.2
119.04897	0.7
125.02394	2.1
131.03447	4.1
141.01891	0.9
143.03456	3.8
147.04512	2.0
149.04488	5.0
155.03487	1.8
161.04521	11.4
161.05891	1.4
169.12299	60.5
170.12642	3.7
175.58871	0.7
191.07098	0.9
205.08765	1.4
221.06598	0.7
252.30504	0.7
331.08310	1.4
331.19272	4.7
391.10043	1.0
391.20935	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.6
57.03339	0.5
57.06069	0.3
58.00491	0.5
59.01263	100.0
60.01608	1.0
69.03356	1.7
69.27966	3.0
69.68837	0.2
71.01267	8.7
72.99175	0.3
73.02837	4.7
78.95790	2.6
81.32655	0.3
83.01257	2.6
85.02837	3.5
87.00766	5.1
89.02329	3.8
93.03375	0.4
95.01295	0.9
96.96867	2.4
97.02859	1.2
99.00793	1.0
101.02341	7.2
103.03931	0.9
111.00780	3.3
113.02359	4.2
117.72333	0.3
119.03384	1.6
125.02393	0.6
139.03984	0.3
141.01842	1.7
143.03429	1.3
147.04417	2.3
151.11275	0.8
159.02960	0.5
161.04512	4.3
183.02902	0.4
187.13362	2.9
198.47340	0.3
201.04059	1.2
229.14439	2.4
233.09541	2.2
234.10014	0.3
249.09050	0.4
313.16617	0.5
331.08548	0.5
331.17682	11.0
332.18176	1.1
349.18756	4.2
350.19125	0.5
391.10583	0.8
391.19940	1.7
392.17258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01604	1.4
69.03358	0.6
70.54613	0.4
70.54967	0.7
71.01268	4.6
73.02837	4.8
75.00755	2.0
77.94102	0.2
78.95798	5.1
78.96265	0.3
81.71433	0.2
83.01295	1.2
85.02861	0.8
87.00790	0.4
89.02342	1.9
96.66026	0.3
96.95940	0.4
97.02801	0.3
101.02355	4.6
102.02692	0.3
104.65234	0.3
110.47114	0.2
110.98443	0.4
113.02335	1.6
119.03459	0.7
131.03444	0.5
133.02901	0.4
135.04482	0.8
143.03455	0.3
149.04498	0.5
161.02408	0.8
161.04486	2.0
167.01144	0.4
169.12268	4.4
170.58928	0.3
179.14407	0.5
185.02214	0.8
195.13919	1.2
201.04059	0.3
202.08522	0.3
205.12337	1.5
205.81322	0.3
223.13393	12.9
224.13783	0.9
266.57529	0.3
331.17828	2.0
391.15228	0.9
391.19498	1.9
392.12759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.7
57.03330	5.8
59.01267	100.0
60.01603	1.6
61.59380	0.5
61.98732	0.9
69.03361	1.5
69.72759	1.1
69.73167	2.3
69.74435	0.5
71.01273	6.9
73.02835	2.4
75.00776	0.6
76.16370	0.5
83.01301	0.9
85.02863	3.0
87.00795	1.1
89.02344	5.9
93.03399	0.9
95.01309	0.7
99.04419	4.7
101.02357	7.2
113.01714	0.5
113.02370	3.0
119.03412	2.5
125.02374	1.8
137.02388	1.0
140.35883	0.5
143.03371	0.6
145.02867	0.7
151.00377	1.4
159.02966	0.5
161.04552	3.7
179.05634	1.6
183.10240	4.3
191.05647	2.5
229.05080	5.4
238.06898	0.5
247.11848	0.8
268.23468	0.5
331.17664	6.9
332.18344	0.5
391.10367	0.9
391.19748	7.3
392.20038	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
57.03342	1.1
58.00479	0.8
59.01265	100.0
60.01607	1.6
61.01677	0.4
69.03343	0.4
71.01270	18.1
71.56973	0.4
72.01632	0.4
72.99203	0.6
73.02840	8.1
75.00755	0.3
79.95566	0.3
83.01279	2.6
85.02840	5.0
87.00790	1.0
87.04440	1.0
89.02341	8.4
95.01293	1.5
97.02865	0.5
99.00806	1.4
101.02345	10.8
101.03016	0.5
113.02356	9.8
114.02706	0.4
119.03413	2.8
125.02391	0.7
128.69508	0.2
131.03409	0.7
133.72607	0.4
141.53635	0.3
143.03441	1.0
149.04517	0.8
159.02966	0.5
161.04521	5.3
173.02374	0.3
176.28336	0.3
179.05603	1.0
185.11766	0.4
187.13388	4.7
191.05632	1.2
242.34412	0.3
331.17697	7.4
332.18256	0.7
349.18777	8.4
350.19379	1.1
391.19604	2.0
392.19385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.4
59.01266	100.0
60.01599	1.4
67.26434	0.2
71.01271	7.2
71.36308	0.4
73.02848	0.5
83.01276	0.3
85.02850	1.2
87.00796	0.4
89.02340	11.9
95.01294	0.5
101.02343	4.2
113.02355	3.5
119.03423	5.4
119.04814	0.2
122.86433	0.2
128.59517	0.2
131.03447	0.8
143.03481	1.2
149.04558	0.9
155.10699	0.2
161.04506	2.1
179.05569	3.7
191.05611	0.5
218.04712	0.3
322.28879	0.2
331.17682	3.7
332.18225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.2
57.03344	0.3
59.01263	100.0
60.01597	1.3
69.03341	0.9
69.44670	1.4
69.55242	0.2
69.72875	0.2
71.01267	2.5
73.02850	0.8
78.48533	0.1
78.95798	0.5
82.14188	0.1
83.01291	0.7
85.02840	1.1
87.00767	3.3
87.01269	0.3
89.02356	0.7
95.01286	0.3
96.96888	0.6
97.02858	0.8
99.00807	0.4
101.02345	1.5
111.00794	1.7
113.02353	1.0
119.03436	0.4
123.39603	0.2
127.07590	0.5
139.03941	0.2
141.01865	1.4
143.03473	0.3
147.04462	1.7
159.02972	0.3
161.04494	3.0
179.05612	0.2
180.67467	0.2
183.02934	0.2
201.03986	1.1
233.09474	0.3
243.05298	0.3
249.09071	0.2
331.08493	0.3
331.17654	2.6
331.21350	0.2
332.18112	0.3
347.37073	0.2
391.10400	0.8
391.20041	0.4
414.10504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.7
57.03334	1.7
58.00483	1.0
59.01266	100.0
59.45289	0.2
59.50774	0.3
60.01592	1.5
69.03347	0.7
69.40234	2.4
71.01273	20.2
71.04929	0.3
72.99195	1.1
73.02837	11.1
74.03180	0.4
75.00755	0.3
81.06999	0.6
83.01277	3.4
83.01728	0.4
85.02842	5.2
87.00777	1.3
87.04421	0.9
89.02340	13.4
90.02713	0.3
95.01298	1.2
97.02868	0.4
97.06477	0.3
99.00800	0.8
99.04410	0.5
101.02345	15.2
101.05978	0.4
102.02675	0.6
111.25603	0.3
113.02361	7.9
119.03423	5.0
123.04545	0.3
125.02386	0.9
131.03474	0.7
143.03459	1.3
149.04523	1.0
159.02924	0.4
161.04503	4.2
179.05592	2.2
180.56378	0.2
180.93608	0.3
185.11827	0.6
187.13382	5.6
188.13742	0.5
195.95490	0.3
234.48077	0.3
299.91333	0.3
331.17670	3.3
332.18442	0.3
335.65555	0.3
349.18756	10.2
350.19177	1.2
391.19846	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.0
57.03339	0.6
58.00482	1.3
59.01265	100.0
60.01604	1.0
66.01292	0.2
69.03353	0.8
69.64011	0.6
69.64437	0.7
71.01270	22.7
72.01602	0.4
72.30484	0.2
72.99205	0.9
73.02838	13.4
74.03133	0.2
75.00767	0.5
77.20546	0.2
81.03352	0.3
83.01273	4.3
83.04926	0.3
84.02091	0.2
85.02843	6.9
86.03185	0.3
87.00773	2.5
87.04405	0.3
89.02338	14.5
95.01277	1.7
97.02891	0.8
99.00787	1.5
99.04460	0.2
101.02347	20.5
102.02692	0.5
103.03968	0.2
111.00770	1.0
111.08108	0.2
113.02358	10.0
119.03416	6.1
123.23803	0.2
125.02383	1.3
127.03957	0.4
131.03456	0.8
139.03978	0.3
139.11186	0.2
141.01854	0.4
141.09210	0.4
143.03427	2.4
147.04472	0.4
149.04501	0.7
151.11237	0.8
153.09154	0.2
155.10741	0.3
159.02972	0.7
161.04500	9.1
169.12343	0.6
172.26117	0.2
179.05562	3.0
187.13364	6.3
187.15036	0.3
188.13754	0.5
203.05658	0.7
205.03604	0.2
229.14484	0.5
253.14447	1.3
283.15521	0.4
313.17096	0.2
331.08405	0.3
331.17657	4.0
331.21439	0.3
332.18076	0.4
349.18744	18.4
350.19019	1.6
391.10532	0.3
391.19937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03333	0.4
58.00465	0.2
59.01264	100.0
60.01604	1.2
61.93386	0.2
68.99706	0.2
69.03341	3.2
71.01269	6.4
71.29574	0.3
72.99210	0.4
73.02835	2.2
75.00772	0.2
78.95787	0.4
81.03351	0.3
83.01273	2.6
85.02843	3.3
87.00768	9.1
89.02340	1.8
93.03390	0.6
95.01299	1.1
95.04932	0.4
96.00798	0.3
96.95897	0.2
96.96873	0.4
97.02850	3.2
99.00782	0.8
101.02338	4.6
108.41480	0.2
109.02890	0.3
111.00790	6.8
111.04443	0.6
112.01115	0.3
113.02346	2.7
113.03532	0.2
115.00304	0.4
115.76989	0.2
118.98090	0.2
119.03430	0.6
119.04972	0.2
121.02882	0.4
125.60056	0.2
129.01888	0.2
130.08707	0.2
137.02354	0.2
139.03961	0.6
141.01869	4.3
142.02153	0.2
143.03452	0.4
147.04446	6.8
147.05598	0.3
148.04825	0.4
150.10019	0.2
155.80412	0.2
159.02969	0.7
161.04500	6.5
161.05855	0.4
162.04703	0.2
179.05603	0.2
181.08717	0.2
183.02901	0.8
191.05580	0.6
199.09830	0.2
201.04007	3.0
205.03465	0.3
211.13480	0.3
224.58400	0.2
243.05141	1.4
264.07623	0.2
270.33661	0.2
295.14511	0.2
331.08377	2.7
331.17679	10.3
332.08484	0.2
332.17899	1.0
337.03738	0.2
349.18637	0.4
357.14410	0.8
374.17526	0.3
391.10541	3.6
391.19766	4.9
392.10739	0.6
392.20120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21761	0.2
59.01266	100.0
60.01603	1.0
69.53136	2.0
71.01270	3.6
73.02873	0.4
79.64532	0.3
85.02843	0.7
89.02338	5.1
91.55273	0.3
96.84038	0.4
101.02357	2.3
111.61192	0.3
113.02360	1.6
118.18185	0.4
119.03431	2.5
124.63718	0.3
131.35663	0.3
143.03447	0.5
161.04579	0.6
166.14185	0.3
179.05609	1.8
331.17871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.2
57.03344	0.3
59.01263	100.0
60.01597	1.3
69.03341	0.9
69.44670	1.4
69.55242	0.2
69.72875	0.2
71.01267	2.5
73.02850	0.8
78.48533	0.1
78.95798	0.5
82.14188	0.1
83.01291	0.7
85.02840	1.1
87.00767	3.3
87.01269	0.3
89.02356	0.7
95.01286	0.3
96.96888	0.6
97.02858	0.8
99.00807	0.4
101.02345	1.5
111.00794	1.7
113.02353	1.0
119.03436	0.4
123.39603	0.2
127.07590	0.5
139.03941	0.2
141.01865	1.4
143.03473	0.3
147.04462	1.7
159.02972	0.3
161.04494	3.0
179.05612	0.2
180.67467	0.2
183.02934	0.2
201.03986	1.1
233.09474	0.3
243.05298	0.3
249.09071	0.2
331.08493	0.3
331.17654	2.6
331.21350	0.2
332.18112	0.3
347.37073	0.2
391.10400	0.8
391.20041	0.4
414.10504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.5
58.00504	0.3
59.01264	100.0
60.01592	1.4
63.59096	0.2
66.61723	0.2
69.03355	1.4
71.01273	7.3
72.99221	0.4
73.02840	1.9
75.00762	0.5
78.95799	0.4
82.39664	0.3
83.01288	1.2
85.02856	2.3
87.00768	3.9
89.02341	4.4
89.02852	0.5
93.03376	0.5
95.01286	0.7
96.96869	0.4
97.02869	1.2
99.00800	0.6
101.02343	5.8
111.00790	2.0
111.04430	0.3
113.02351	3.5
119.03403	1.5
125.02402	0.4
141.01843	1.5
143.03453	1.0
147.04437	2.7
148.89441	0.3
159.03004	0.6
161.04498	4.1
179.03491	0.4
179.05629	1.7
181.71188	0.3
187.13409	0.8
191.05634	0.7
201.04045	0.7
229.14525	0.4
230.31056	0.3
261.57626	0.4
317.09940	0.4
331.08389	0.6
331.17694	7.6
332.18188	0.7
349.18668	1.9
391.10602	0.8
391.19818	1.7
391.27426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.5
57.03341	34.5
58.00492	0.5
58.03679	0.8
59.01268	100.0
60.01612	1.3
69.36629	1.0
69.37032	4.6
71.01276	12.4
72.99165	0.5
73.02846	3.8
75.00778	0.5
78.80654	0.5
81.03349	0.9
83.01296	1.9
85.02850	3.2
87.00789	1.0
88.57600	0.4
89.02344	8.2
93.03365	3.0
95.01306	0.6
99.00786	0.5
99.04424	24.8
100.04819	0.6
101.02351	14.0
113.02365	4.9
119.03431	3.3
119.04988	1.8
121.02924	0.6
123.04446	0.9
125.02382	7.6
125.03259	0.7
137.02394	1.6
143.03474	1.4
145.02925	0.6
147.04526	0.6
149.04535	0.6
151.88354	0.5
155.83009	0.5
159.03050	0.5
161.04526	5.3
163.04050	1.1
173.04601	1.9
179.05551	2.8
191.05576	5.5
216.67940	0.5
247.11874	2.2
285.11356	0.8
289.98187	0.5
305.85474	0.5
331.17715	10.2
332.18457	0.6
391.10910	0.9
391.16409	0.7
391.20013	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	391.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99883	0.5
55.01765	1.9
59.01268	100.0
60.01615	1.2
67.01778	1.3
68.99705	1.1
69.03346	26.8
69.46325	4.3
70.03671	0.6
71.01276	5.1
73.02851	1.6
75.00793	0.6
77.03864	0.6
80.59138	0.5
81.03357	1.6
83.01281	10.4
83.04929	1.4
85.02843	6.4
87.00777	66.1
88.01110	0.9
89.02370	0.9
93.03359	7.4
95.01299	5.5
95.04937	2.2
97.02859	23.6
99.00785	2.4
101.02374	1.9
109.02846	2.7
111.00796	39.7
111.04427	5.9
112.01129	2.0
113.02375	2.4
115.00300	2.9
119.04950	2.4
121.02905	2.7
127.03907	1.6
129.01852	1.1
137.02361	2.2
139.03967	3.4
141.01884	26.6
142.02263	1.0
147.04466	44.7
148.04814	2.7
155.03398	0.7
161.04657	0.6
161.06038	1.0
163.03973	1.2
167.79955	0.5
173.04576	2.8
179.05644	0.6
183.02977	5.4
191.05602	6.9
201.04034	21.5
202.04425	1.2
219.05064	0.9
227.07071	0.6
229.14528	1.6
243.05138	8.5
244.05550	0.7
250.06705	1.2
267.07550	0.6
306.63104	0.6
331.08356	11.6
331.17654	1.8
332.08676	2.2
334.09116	0.6
349.09491	0.7
391.10486	24.6
391.19818	4.0
392.10760	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	391.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51768	0.7
52.66646	0.6
55.01772	1.6
59.01266	100.0
68.99718	0.9
69.03345	22.7
71.01269	4.2
73.02850	1.4
81.03354	2.2
83.01279	11.1
83.04922	1.2
85.02856	4.0
87.00774	58.9
89.02393	1.1
90.33500	0.7
93.03365	4.4
95.01292	4.3
95.04951	2.6
97.02849	16.9
98.20576	1.4
99.00831	1.1
101.02363	2.7
107.96232	0.9
109.02888	2.4
111.00790	34.8
111.04472	2.9
112.01144	1.3
113.02409	1.7
115.00297	1.7
119.04911	0.8
121.02843	3.4
137.02321	0.8
139.03998	2.8
141.01866	21.0
142.02240	1.1
145.83504	0.7
147.04459	42.9
148.04869	2.0
150.52058	0.7
161.04575	1.6
183.03003	2.5
196.97891	0.7
201.04033	13.6
211.30087	0.7
218.15369	0.8
229.16835	0.7
243.05081	3.6
292.65201	0.7
331.08301	9.7
331.17853	2.9
339.45187	0.7
385.74789	0.7
391.10434	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	391.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33261	0.5
54.39585	0.4
55.01768	2.6
57.03342	1.0
57.40226	0.4
58.71085	0.5
59.01265	100.0
60.01601	0.7
65.03850	0.5
67.01770	0.7
68.99715	1.1
69.03343	25.6
71.01272	5.5
72.99220	0.6
73.02850	0.6
77.03844	1.0
78.95792	3.2
81.03338	2.8
83.01274	11.4
83.04903	1.0
84.01606	0.6
85.02843	5.1
87.00774	65.6
88.01102	1.3
88.84466	0.5
89.02342	2.7
93.03359	5.6
95.01287	5.2
95.04932	1.9
96.96874	2.1
97.02851	22.7
99.00785	1.5
101.02383	2.4
103.05472	0.5
107.35973	0.5
108.02095	0.7
109.02878	2.6
111.00791	47.1
111.04415	5.1
112.01103	1.1
113.02356	1.9
115.00284	2.8
119.03435	0.6
119.04945	1.5
121.02866	3.5
125.02289	0.6
129.01843	0.7
131.04947	0.6
137.02385	2.0
139.03963	4.9
141.01869	26.5
142.02171	0.7
146.66135	0.5
147.04459	49.1
148.04817	2.4
157.05089	0.5
161.06030	0.9
166.06332	1.0
173.04510	1.4
183.02957	5.9
185.54967	0.5
191.05589	3.7
195.08231	0.6
201.04033	20.0
202.04338	0.9
233.09541	1.9
243.05118	7.6
244.05431	0.8
331.08279	16.7
331.17529	1.4
332.08664	1.8
349.09363	1.4
373.18716	0.7
391.10468	24.8
391.19653	11.9
392.10590	3.1
392.20166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	1.7
57.03331	0.9
59.01269	100.0
60.01598	0.9
61.96390	0.7
65.03848	0.7
67.01790	1.1
68.99710	1.9
69.03346	31.5
71.01281	2.3
72.99236	0.7
73.02832	0.8
78.95817	1.5
81.03371	2.2
83.01282	11.1
83.04928	1.9
85.02847	4.7
86.86353	0.7
87.00779	85.4
93.03372	5.1
95.01292	5.7
95.04942	2.0
96.96926	1.1
97.02862	27.0
97.03487	1.4
99.00774	1.5
108.02087	0.9
109.02876	2.7
111.00800	56.8
111.04458	4.1
112.01199	1.3
113.02364	1.5
115.00289	3.5
119.04955	1.3
121.02892	4.3
129.01857	0.8
130.29692	0.7
137.02391	1.5
139.03955	4.3
141.01886	36.3
142.02292	1.1
145.06532	2.6
147.04466	57.0
148.04808	2.5
157.05090	0.8
163.07643	1.6
183.02989	5.8
187.07727	1.2
191.05617	0.7
195.29425	0.8
200.58154	0.6
201.04054	25.2
202.04402	0.9
207.06693	2.3
219.05179	0.7
233.09607	0.9
243.05165	7.0
310.55289	0.7
331.08328	11.5
332.08514	1.3
349.09610	2.1
391.10486	20.0
392.10815	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	391.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84125	0.2
57.03320	0.2
59.01265	47.7
60.01613	0.4
61.98719	5.7
66.46976	0.2
67.01746	0.4
67.18948	0.2
69.03338	1.1
70.00777	1.3
71.01268	2.8
73.02835	0.7
75.00803	0.4
78.95832	0.3
79.95619	0.4
80.15965	0.2
83.01274	0.3
85.02853	0.8
86.63633	0.2
87.00772	0.4
89.02348	1.6
95.01294	1.7
96.95926	0.4
97.02850	1.0
99.00832	0.3
101.02354	1.9
101.05987	100.0
102.06316	2.2
111.00776	0.4
113.02335	1.2
117.03368	0.2
119.03425	0.7
119.04935	5.2
121.02871	19.0
122.03223	0.6
123.00778	1.4
131.03380	0.3
133.02852	0.7
135.04463	1.4
141.01843	0.4
143.03342	0.2
145.02899	1.0
147.04433	0.5
153.09169	0.4
161.02362	0.8
161.04498	1.2
179.03415	0.7
179.05551	0.3
187.13402	0.4
242.08054	0.2
269.06689	3.2
271.02725	0.2
276.57596	0.2
300.49704	0.2
313.03867	0.3
314.04327	0.4
331.17700	1.8
332.14645	1.1
332.17996	0.3
349.18768	0.6
391.10568	0.5
391.20502	0.3
392.12814	0.6
392.17520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50767	0.5
55.01779	2.9
59.01268	100.0
60.01603	1.1
64.59863	0.5
69.03356	0.7
70.13268	2.1
71.01305	0.6
73.02846	4.3
79.22486	0.5
87.00778	3.7
89.02354	0.7
97.02876	0.5
100.08443	0.6
101.02333	0.7
109.06475	0.7
112.51418	0.5
125.02393	2.4
168.27058	0.5
183.26462	0.5
238.20210	0.6
275.20267	0.8
289.21927	1.6
301.21957	1.2
319.22992	1.3
329.30429	0.6
345.24469	0.9
389.23135	7.2
389.26529	1.2
390.23782	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65715	0.3
59.01264	21.1
61.98718	100.0
69.72586	0.7
69.72999	1.1
71.01271	1.5
73.02845	0.8
75.00776	0.4
84.75101	0.3
85.02838	0.4
87.00809	0.4
89.02357	0.6
96.95991	0.3
101.02365	1.2
113.02349	0.6
161.04523	0.5
187.13403	0.6
243.47975	0.3
247.91591	0.3
256.71155	0.3
304.24667	0.3
320.27670	0.4
327.21915	0.4
331.17831	0.9
349.18674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01606	1.5
61.25348	0.4
70.93507	1.3
70.93869	0.6
72.23532	0.5
87.04426	0.7
94.92896	0.5
115.50037	0.5
123.16999	0.4
133.09972	0.5
162.73671	0.4
172.77068	0.5
295.13147	0.5
389.27368	1.4
390.27380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.271
Annotation	4651-67-6
Peak:m/z	Relative Intensity
59.01263	13.2
65.62292	0.4
69.03336	1.6
69.45441	2.2
69.45866	1.4
71.01266	1.1
71.04903	0.4
75.74424	0.4
79.95646	0.7
80.96406	2.1
81.47620	0.4
85.02836	1.1
87.00777	0.7
87.04411	100.0
88.04740	2.5
94.97986	0.6
99.04424	1.4
101.02267	0.5
113.02374	0.5
125.02348	1.3
136.28447	0.5
164.98582	0.7
196.58543	0.4
207.61446	0.4
255.23276	1.2
275.23849	3.3
289.21735	1.3
299.04382	0.5
301.21790	27.7
302.22089	3.9
319.22888	1.2
345.28101	0.7
389.27072	50.6
390.19928	4.7
390.27359	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	389.2706
Annotation	Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)-
Peak:m/z	Relative Intensity
55.56054	0.2
59.01254	0.8
69.03345	9.3
69.49469	1.8
71.04903	0.4
84.85925	0.2
85.06476	0.7
86.78492	0.2
87.04411	51.5
88.04726	1.2
165.12784	0.4
252.25119	0.2
260.21204	0.2
275.23837	5.4
276.24234	0.7
301.21799	8.3
302.22186	0.8
319.22861	3.2
320.23270	0.4
389.27063	100.0
390.27408	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2708
Annotation	Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)-
Peak:m/z	Relative Intensity
59.01256	1.0
65.27904	0.1
69.03343	11.9
70.03668	0.1
70.91572	0.3
70.91926	0.2
71.04906	0.5
80.96426	0.2
85.02849	0.6
85.06469	0.6
87.04411	47.7
88.04736	1.2
94.08308	0.1
99.04429	0.2
111.04475	0.1
125.02322	0.1
165.12808	0.7
197.11829	0.2
214.07405	0.1
255.23286	0.2
273.22409	0.2
275.23849	6.2
276.24066	0.6
301.21805	9.0
302.22137	1.1
303.23230	0.1
319.22876	4.1
320.23157	0.5
389.27048	100.0
390.27377	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	389.2344
Annotation	Juruenolide E
Peak:m/z	Relative Intensity
52.10084	0.4
57.03341	5.6
58.86326	0.5
59.01266	26.4
61.98716	2.4
68.56671	0.4
69.02964	0.7
69.03345	11.2
69.67268	3.3
71.01273	2.0
71.04897	1.2
71.43237	0.4
72.01582	0.5
75.00773	0.5
85.02849	2.2
87.00772	75.8
88.01125	1.4
89.02335	1.5
93.03358	0.8
96.95901	0.4
99.04422	1.1
101.02367	1.3
113.02387	1.1
119.03445	0.8
123.08115	0.6
125.02357	0.4
125.09607	0.6
135.04434	1.3
135.89192	0.5
138.06793	1.0
149.33870	0.5
150.25153	0.5
161.02405	1.1
161.04489	0.9
165.12811	1.0
176.03900	0.6
179.03442	1.3
179.05586	0.5
190.32787	0.5
191.05545	1.9
230.40150	0.5
230.78294	0.5
259.20740	2.3
275.23868	13.2
276.24191	1.5
301.21793	25.7
302.13580	0.7
302.22153	2.7
313.04877	0.5
317.24905	9.2
318.25235	0.9
319.22855	31.8
320.23193	3.8
327.23389	1.2
329.16214	1.6
345.20355	0.7
345.24432	8.4
346.24768	1.7
389.23416	100.0
390.23767	14.4
407.02637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.234
Annotation	Juruenolide E
Peak:m/z	Relative Intensity
57.03333	4.3
59.01266	30.6
69.03345	9.1
71.01263	1.7
71.08030	0.7
71.58058	0.8
76.24064	0.7
79.08089	0.7
81.58706	0.8
85.02809	1.1
87.00774	76.1
88.01104	1.0
89.02337	1.4
99.04426	1.2
101.02355	1.9
113.02377	0.9
125.02364	1.9
138.06871	1.0
152.99515	0.8
161.04472	1.9
181.68721	0.9
259.20718	2.8
275.23853	11.5
276.24313	1.0
301.21805	25.1
301.25253	1.2
302.22177	3.0
317.24844	9.4
319.22842	31.0
320.23129	3.2
329.16116	1.7
345.24390	9.4
346.24628	1.1
389.23407	100.0
390.23825	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2344
Annotation	Juruenolide E
Peak:m/z	Relative Intensity
55.08612	0.4
57.03340	4.8
57.99987	0.4
59.01264	19.5
60.59362	0.4
69.03343	11.7
71.01271	1.0
71.04897	1.5
71.60345	0.5
74.63049	0.4
85.02839	1.3
87.00771	78.7
87.04404	0.6
88.01107	1.3
89.02332	1.0
93.67754	0.4
95.05024	0.4
97.06498	0.4
99.04439	0.8
101.02375	0.7
111.04435	0.8
119.03440	0.4
138.06812	1.4
161.04453	1.0
165.12787	1.1
206.02718	0.4
259.20673	2.7
273.22406	0.5
275.23877	12.8
276.24258	2.1
301.21802	26.2
302.22110	3.0
317.24915	9.0
318.25336	0.6
319.22824	34.3
320.23242	3.9
327.23434	0.5
329.16183	1.5
344.31467	0.4
345.24384	8.8
346.24808	1.5
389.23398	100.0
390.23682	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	389.2343
Annotation	Juruenolide E
Peak:m/z	Relative Intensity
52.91020	0.6
57.03340	4.6
58.58963	0.7
59.01266	21.7
69.03349	10.3
71.01260	0.9
71.04880	1.0
71.59281	1.1
83.60510	0.7
85.02869	1.0
87.00772	78.9
88.01080	1.8
89.02357	0.8
96.88779	0.8
99.04411	1.2
105.01784	0.7
117.93345	0.7
125.02383	2.3
138.06853	1.3
161.95586	0.7
255.41478	0.7
259.20709	2.3
275.23886	15.0
276.24335	1.2
301.21786	24.8
302.22159	4.1
317.24884	10.1
318.25238	1.8
319.22849	31.3
320.23196	3.2
328.54382	0.8
345.24521	6.5
346.25021	1.3
389.23434	100.0
390.23773	14.5
390.28705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2344
Annotation	Juruenolide E
Peak:m/z	Relative Intensity
55.01773	3.9
57.03335	5.4
59.01264	30.7
59.67131	0.7
60.01619	1.0
62.75396	0.6
69.03342	8.9
71.01268	2.6
71.04902	0.9
71.57923	1.3
73.02834	8.7
73.39093	0.8
75.90544	0.8
80.96416	1.1
83.04901	0.8
85.02837	3.4
87.00772	70.2
88.01070	0.8
89.02324	1.8
99.04431	2.5
101.02310	1.4
113.02374	0.9
123.08032	0.8
161.04463	1.4
190.06181	0.7
191.68607	0.8
206.62305	0.7
227.20132	2.4
233.15508	0.8
259.20459	1.7
275.20160	2.3
275.23807	9.9
289.21768	2.3
301.21805	22.7
301.25266	1.4
302.21994	2.4
307.19385	1.0
317.24908	7.2
318.25174	1.6
319.22873	25.6
320.23138	3.3
329.16165	1.4
345.24371	9.7
346.24753	1.2
389.23346	100.0
390.23688	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	389.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52562	0.5
57.03338	1.3
59.01268	100.0
60.01602	1.1
60.37303	0.5
61.98724	1.9
69.03398	0.5
69.35740	5.4
71.01291	1.6
72.99208	0.9
73.02814	0.6
78.95815	2.0
83.01270	1.1
83.04946	0.5
85.02848	1.9
87.00779	1.0
87.04417	0.9
89.02350	1.7
90.31902	0.5
93.03376	0.6
95.01277	0.7
96.96895	0.8
97.02855	1.3
97.06519	1.6
101.02338	0.9
113.02357	0.7
117.33753	0.6
125.02403	2.4
128.07414	0.6
139.00212	0.6
217.08746	0.7
219.37373	0.6
233.09677	1.0
250.44009	0.6
257.19250	1.7
285.18695	8.5
286.19110	0.8
329.17667	38.6
330.17953	4.7
364.48257	0.6
389.20657	11.6
389.27167	1.0
389.71008	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	389.198
Annotation	Pregomisin
Peak:m/z	Relative Intensity
59.01266	19.1
61.98710	1.2
70.00332	2.7
71.01267	0.9
73.48918	0.6
75.97253	0.5
84.61221	0.6
89.02349	0.8
96.99583	0.5
101.02359	0.7
105.03371	0.8
108.90492	0.5
117.03354	1.5
121.02864	1.2
125.02335	1.7
128.77379	0.6
131.36378	0.6
132.02077	7.0
132.02972	0.8
133.02893	15.2
134.03674	27.5
135.04457	16.8
137.02388	3.0
139.04008	1.3
147.04488	0.7
148.05247	11.2
149.05998	2.2
150.03079	1.0
160.01610	41.3
161.02422	6.5
175.03967	100.0
176.04320	5.3
177.01823	0.7
178.02679	3.2
179.03450	10.2
180.03821	0.6
182.34810	0.6
183.13872	2.1
191.03650	0.7
193.05026	16.9
194.02065	0.6
195.13863	1.1
209.04326	0.7
213.14978	11.6
246.08920	1.0
259.09708	1.4
289.18094	0.7
313.12704	0.6
329.16412	0.8
357.17166	3.8
389.19778	65.2
390.20111	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	389.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62862	0.4
53.96023	0.4
54.54331	0.4
57.03324	1.2
58.00468	1.6
59.01265	12.4
64.33566	0.4
68.99693	0.4
69.03337	0.6
69.70624	0.4
71.00938	0.5
71.01273	4.9
71.04913	6.7
73.02843	5.0
74.03116	0.4
78.62260	0.4
81.03338	0.7
82.70106	0.4
83.01272	0.8
83.04898	1.0
85.02833	1.4
87.02625	1.5
89.02344	2.7
95.01270	0.8
97.02856	4.8
97.06469	1.0
98.19750	0.8
99.04402	1.2
100.01563	2.6
101.02350	2.7
107.04919	1.3
109.02843	2.1
109.06526	0.9
111.04401	1.3
111.08092	2.0
113.02374	3.3
119.03380	0.5
121.06517	1.2
121.10164	0.8
123.08089	24.2
124.08414	1.3
125.02399	0.5
128.04730	0.5
133.10164	1.1
135.08156	0.4
137.05956	0.9
137.25937	0.4
141.01888	0.6
143.03424	0.5
146.07367	0.5
147.08087	0.6
149.09656	0.9
161.04497	1.1
161.06068	0.4
161.09663	2.0
163.11256	0.8
165.12813	23.6
166.13130	1.3
167.14386	0.4
169.08678	3.3
171.73714	0.4
174.72572	0.4
175.07617	1.8
175.11180	0.5
177.09227	1.0
177.12775	0.5
179.10748	1.0
183.13879	82.0
184.14226	5.8
187.07562	0.5
189.09200	4.7
191.07124	4.8
191.10777	0.7
197.10068	1.2
197.15472	1.5
199.14828	0.5
201.09206	0.5
201.12915	0.8
203.10753	1.2
205.08664	4.6
206.09151	0.4
207.10281	0.8
207.13895	1.5
209.11795	2.7
215.14490	1.1
217.08679	1.0
217.15912	0.7
219.13815	0.5
221.08322	0.5
225.14989	1.7
227.12900	100.0
228.13229	8.1
229.08862	0.5
229.67708	0.6
231.13881	0.8
233.15588	0.8
243.13986	0.6
245.11926	2.2
245.15535	1.1
247.09839	0.6
251.12889	2.3
257.11765	0.8
259.13690	4.5
260.13959	0.8
266.11740	1.6
269.14066	1.4
271.13525	0.5
277.14459	2.0
283.20682	0.6
285.18600	1.1
287.13013	2.2
287.16412	0.7
289.14526	2.1
293.14072	0.4
299.12772	0.4
299.20258	1.1
301.18149	0.9
309.18707	0.5
313.18359	0.5
315.19794	0.4
325.18213	0.6
327.19678	2.6
328.20108	0.6
329.17688	19.7
330.18091	2.8
341.17712	3.0
343.19199	4.9
345.20969	0.9
347.15341	0.9
347.24927	0.6
359.18704	1.3
361.20285	8.6
362.20538	0.9
371.18631	4.7
372.19321	0.8
389.19815	35.1
390.20172	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	389.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70184	0.6
57.03344	0.7
58.00476	1.8
59.00996	0.8
59.01269	11.7
69.03336	1.3
71.01271	2.6
71.04906	15.4
71.13971	1.6
72.02035	0.8
73.02840	5.7
75.00786	0.6
76.07938	0.6
83.04924	1.3
85.99972	0.8
95.04943	0.9
97.02850	12.7
99.04418	2.1
100.01554	7.6
101.02342	2.2
107.04935	2.2
109.02850	4.1
109.06471	1.1
111.04416	2.8
121.06505	3.9
121.10155	2.4
123.04434	0.9
123.08081	57.6
124.08408	2.0
125.02367	0.7
125.05991	1.1
125.09573	0.7
128.04716	1.5
133.10135	2.8
135.04439	0.9
135.08078	0.9
137.06035	0.7
139.07590	0.7
141.01883	2.0
141.09167	1.4
147.08052	1.3
149.09627	1.1
159.08055	1.0
161.09673	3.9
163.11214	1.9
165.05498	0.7
165.97006	0.6
168.07785	0.6
169.08655	10.5
170.08766	0.7
171.08060	1.3
173.06059	0.8
173.09595	0.9
175.07562	3.4
175.11279	1.4
177.09157	2.0
177.12794	1.3
179.10739	2.9
185.09714	1.4
187.07565	0.6
187.11360	1.1
189.09187	11.4
189.12839	1.1
190.09554	0.7
191.05467	1.1
191.07121	13.8
192.07468	1.2
192.36806	0.6
201.12735	0.9
202.06453	0.8
203.07132	0.7
203.10826	2.7
203.14474	0.8
205.06909	1.1
205.08690	12.7
206.09244	1.0
207.10249	1.3
215.14430	2.5
217.08684	2.4
217.15941	1.3
221.08199	1.1
227.14352	1.1
229.08646	1.0
229.16060	1.1
231.13864	1.8
233.15541	2.0
243.14038	2.6
243.17674	0.8
245.11935	3.3
245.15486	2.2
247.09711	1.2
257.11838	1.1
259.13531	4.4
261.15088	0.8
265.10770	0.6
266.11890	2.6
273.14871	0.7
275.12918	0.7
277.14526	3.8
281.19156	1.1
285.18661	3.3
287.12955	5.9
287.16498	1.9
287.20142	0.6
289.14606	4.7
297.18439	0.7
299.16565	1.0
299.20279	1.8
301.18246	1.5
301.21848	0.6
303.70715	0.6
305.14011	1.0
309.18661	1.4
313.18167	1.2
315.19788	1.7
317.13812	1.0
317.21243	0.6
327.19696	9.1
328.19897	1.0
329.17667	57.7
330.17969	7.0
341.17657	5.8
343.19217	10.1
344.19916	1.3
345.20700	2.1
353.17764	1.1
358.87332	0.6
359.18573	3.1
361.20306	13.0
361.24738	0.8
362.20618	1.4
371.18692	9.5
372.19110	0.8
389.19800	100.0
390.20093	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	389.1829
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03311	0.6
58.00459	1.0
59.01267	8.6
69.43668	3.7
69.44076	1.5
71.01276	4.2
71.04906	3.7
72.94979	0.5
73.02830	3.8
85.02817	0.8
87.02608	1.5
89.02351	2.8
94.43906	0.7
97.02804	2.5
97.06435	0.9
98.19766	0.6
99.04421	0.6
100.01585	1.1
101.02306	2.4
102.98479	0.6
109.02820	1.1
111.08032	1.2
113.02361	3.3
113.09693	0.5
114.01379	0.6
119.03436	0.6
123.08081	12.5
125.09613	0.7
133.10133	0.7
161.04494	0.8
161.09560	0.8
163.11229	0.9
165.12805	19.7
166.13098	1.6
169.08636	1.5
178.27739	0.6
179.05571	0.7
179.10805	0.9
183.13876	60.7
184.14236	3.7
189.09167	2.2
191.07132	2.2
197.10069	0.9
197.15538	1.6
205.08714	2.4
207.10216	0.7
207.13857	1.0
209.11816	2.8
225.14902	1.6
227.12897	100.0
228.13223	8.0
245.11880	0.9
245.15536	0.9
251.12924	2.3
259.13715	6.7
266.11719	0.7
269.14053	1.7
277.14545	1.7
285.18546	0.7
287.12970	1.8
289.14478	1.5
327.19867	2.2
329.14001	0.8
329.17755	13.1
330.18015	1.9
341.17929	1.2
343.19244	2.8
345.20770	0.9
347.15500	1.2
361.20264	5.6
371.18665	2.7
389.19809	24.0
390.19980	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	389.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.5
57.03347	1.0
57.12769	0.2
58.00481	0.8
59.01264	100.0
60.01603	1.2
65.58824	0.3
69.03352	0.8
69.21435	3.3
71.01270	19.4
71.04923	0.9
72.99187	1.3
73.02833	7.8
75.00772	0.9
81.03372	0.5
83.01283	4.9
84.57632	0.4
85.02843	7.7
86.00025	0.3
87.00767	3.5
87.04425	0.7
87.04954	0.3
89.02337	8.4
93.03387	0.3
95.01267	1.4
97.02807	0.5
97.06482	1.3
99.00791	2.4
99.04465	0.3
99.50695	0.3
101.02345	17.2
102.02708	0.5
103.03934	0.4
111.00789	0.7
113.02359	7.2
113.05991	0.5
115.07583	0.5
118.98073	0.3
119.03397	3.3
121.02884	0.4
123.08070	0.3
125.02356	1.7
131.03423	0.3
134.03624	0.6
141.09167	0.3
143.02489	0.3
143.03377	1.5
149.02441	0.3
150.03172	0.9
151.04068	0.3
159.02983	0.8
161.02420	0.3
161.04507	5.1
162.66583	0.3
165.05519	0.8
167.10764	0.4
169.08727	0.4
179.03520	1.0
179.05594	0.5
185.11803	8.9
186.12178	0.6
191.05667	0.3
193.05235	0.3
195.06615	0.4
209.02017	1.5
227.12907	0.8
230.47940	0.3
245.14113	0.5
269.14105	0.3
311.15152	0.4
329.16138	8.5
330.16595	0.7
347.17178	18.6
348.17569	1.6
375.99844	0.3
389.08374	0.6
389.18301	3.4
389.22888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72630	0.3
55.01781	0.7
57.03341	0.8
57.81860	0.2
58.00474	0.6
59.01267	100.0
60.01601	1.1
62.36166	0.3
63.19991	0.2
69.03342	0.8
70.97968	0.4
70.98318	0.5
71.01272	18.5
72.99204	1.2
73.02838	7.0
75.00742	0.3
81.03371	0.5
83.01273	2.6
84.57980	0.3
85.02850	4.9
87.00776	1.8
87.04449	0.3
89.02342	11.0
93.03382	0.4
95.01293	1.4
95.04939	0.3
96.95930	1.0
97.02853	0.5
97.06512	1.0
99.00792	1.1
99.04411	0.4
101.02349	12.5
102.02699	0.3
102.98502	0.3
109.06495	0.5
111.04417	0.5
113.02367	7.2
119.03419	5.4
120.04509	1.1
121.02891	0.4
125.02409	0.6
125.09692	0.4
130.69255	0.3
131.03464	0.9
132.04515	0.8
135.04472	0.4
137.09692	0.7
139.00423	0.3
139.07602	1.1
143.03473	1.6
149.04558	0.6
149.09769	0.7
150.03140	0.4
159.03023	0.4
161.04517	5.3
165.05562	0.6
167.10765	0.4
168.06667	0.3
170.46307	0.3
176.03450	0.3
179.05592	2.1
185.11815	4.7
186.12201	0.4
191.05672	0.6
193.05148	0.5
209.11871	0.9
227.12863	0.4
269.14142	0.4
319.06995	0.3
329.16156	6.1
330.16605	0.9
344.14496	0.3
347.17212	8.3
348.17926	1.3
357.05884	0.3
357.11227	1.0
358.11411	0.4
387.92450	0.3
389.08636	0.5
389.13385	0.6
389.18417	3.3
389.22589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	1.3
57.03347	3.0
58.00487	1.7
59.01268	100.0
60.01606	0.9
69.03339	3.5
71.01273	54.6
71.60113	0.8
72.01633	1.2
72.99216	2.3
73.02840	60.6
74.03162	1.4
75.00771	1.6
78.95799	0.9
81.03360	1.2
83.01273	19.6
85.02846	7.0
87.00769	3.7
89.02338	13.3
93.03374	2.5
93.05362	0.6
95.01308	2.1
96.95948	0.8
97.02866	1.7
97.06514	2.1
99.00810	2.6
99.04422	0.7
99.08073	1.9
99.15596	0.5
101.02350	50.8
102.02698	1.2
102.98493	0.6
104.27575	0.5
106.68455	0.5
111.04488	0.7
111.08079	0.9
113.01634	0.5
113.02357	14.2
113.09621	0.6
115.03918	0.9
117.01855	0.6
119.03430	4.9
121.10184	0.7
123.08094	2.2
125.02373	2.7
127.11236	0.7
131.03424	3.9
133.02872	0.6
135.44984	0.6
137.09662	1.4
139.07559	0.7
141.09160	0.8
143.03435	3.6
145.03036	0.6
145.31003	0.6
149.04523	2.7
155.03439	1.7
155.10777	1.4
161.04504	9.7
163.04100	0.7
165.12894	0.7
167.10735	41.0
168.11113	2.1
173.04623	1.3
183.13890	0.7
185.11871	1.6
187.13391	1.3
191.05528	3.1
203.05681	1.0
221.06653	0.7
227.12968	0.9
249.06284	0.8
267.07227	3.3
303.18307	1.0
329.16098	2.9
347.17172	11.8
347.20944	0.8
347.24255	0.6
348.17758	1.3
389.18439	48.8
389.25739	35.2
390.18555	5.8
390.25977	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	389.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40210	0.2
52.04495	0.2
55.01767	0.7
57.03334	0.9
58.00483	0.5
59.01265	100.0
59.45568	0.2
60.01608	0.9
69.03366	0.3
69.69702	1.9
71.01270	17.1
71.04926	0.9
72.99202	0.8
73.02838	6.4
75.00780	0.3
83.01271	3.0
85.02840	6.6
87.00768	3.6
89.02340	9.6
95.01268	1.5
97.02866	0.3
97.06489	2.1
98.20544	0.3
99.00789	1.8
99.04431	0.2
101.02345	12.1
101.99612	0.2
108.35252	0.2
109.06512	0.3
111.00822	0.4
113.02357	7.0
113.06003	0.3
114.02740	0.3
115.07584	0.5
119.03420	3.5
125.02409	0.8
129.01918	0.5
131.03447	0.5
137.06027	0.3
143.03442	1.5
149.04594	0.3
149.09648	1.7
155.03534	0.3
159.02911	0.6
161.04504	5.7
165.60503	0.3
167.10768	0.4
179.05565	1.7
181.08704	0.2
185.11797	6.1
186.12128	0.3
191.05634	0.3
209.11971	0.4
227.13054	0.4
259.11914	0.5
329.16135	7.2
329.19849	0.5
330.16681	0.5
346.61652	0.3
347.17188	10.7
348.17706	1.1
350.50586	0.2
389.11392	0.6
389.18280	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	389.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03815	0.3
55.01775	1.0
57.03334	1.8
58.00481	0.4
59.01266	100.0
60.01596	1.2
69.03342	1.1
71.01270	16.5
71.04910	3.5
71.27718	0.5
71.28090	0.5
72.01602	0.4
72.99192	0.7
73.02837	7.6
74.54057	0.2
83.01279	2.9
84.02078	0.3
85.02841	7.2
85.06482	3.7
87.00792	1.5
87.04424	0.6
87.08045	0.6
89.02342	3.7
93.75594	0.2
95.01308	1.7
95.04935	1.1
95.44594	0.2
97.02860	0.6
97.06492	35.4
97.10426	0.3
98.06824	0.9
99.00775	1.6
99.04433	0.6
101.02348	11.0
102.02681	0.4
109.06490	0.3
111.04438	0.4
113.02361	8.5
113.05994	1.2
114.02669	0.3
115.07563	48.7
116.07877	1.5
119.03419	1.3
123.08146	0.3
125.02393	1.0
125.09657	0.4
141.05592	0.4
143.03432	2.5
149.09711	0.5
159.02942	0.8
160.61981	0.3
161.04495	9.0
167.09291	0.5
167.10728	9.5
168.11087	0.8
179.05614	0.3
181.08705	0.3
185.11800	18.8
186.12065	1.2
189.35347	0.3
203.05577	0.5
241.10818	0.5
251.12898	0.3
259.11935	0.9
315.24948	0.3
329.16144	10.0
330.16431	1.2
339.27591	0.3
347.17178	6.3
348.17380	0.4
389.18295	14.4
390.18539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01605	0.7
63.08015	0.4
70.76487	0.8
71.01271	5.1
73.02845	1.6
78.95808	1.0
83.01281	0.6
85.02834	2.1
87.40016	0.4
89.02375	1.1
95.01327	0.4
96.95913	0.4
96.96885	0.9
97.02927	0.5
99.00800	0.9
101.02350	3.5
113.02354	2.7
119.03472	0.4
125.02340	0.6
137.04865	0.4
143.03442	0.6
149.09702	0.5
159.02954	0.5
161.04523	5.4
191.05540	0.4
249.09109	0.9
287.71100	0.3
329.16107	7.6
330.16528	0.9
389.18008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02421	0.3
51.45890	0.3
55.01770	1.8
57.03334	1.7
58.00490	1.1
59.01266	100.0
60.01603	1.1
68.99734	0.3
69.03333	0.8
71.01272	21.4
71.04900	0.9
71.36207	0.7
72.01611	0.4
72.99216	1.0
73.02837	8.8
75.00768	1.0
81.03293	0.3
83.01273	5.3
83.48405	0.3
85.02846	9.6
87.00774	2.8
87.04407	0.4
88.54433	0.4
89.02336	10.1
95.01273	2.3
95.04947	0.5
97.02859	1.3
97.06511	1.6
99.00768	2.7
100.77758	0.3
101.02348	20.3
101.98580	0.3
102.02697	0.5
111.00826	0.3
113.02353	9.0
113.06034	0.8
115.07591	0.7
118.98008	0.3
119.03423	4.1
125.02367	1.5
129.01901	0.5
129.67159	0.4
131.03398	0.5
134.03639	0.6
135.04500	0.4
143.03453	2.4
149.04497	0.6
150.03223	0.4
159.02963	0.9
161.04494	6.3
161.05807	0.4
169.08643	0.9
171.08563	0.4
178.02655	0.4
179.05573	0.9
179.10678	0.4
185.11781	5.9
193.05122	0.6
203.05583	0.4
227.12885	3.7
245.14076	0.6
281.14090	0.9
329.16141	13.5
330.16608	1.5
347.17175	36.2
348.17590	3.5
389.18210	4.8
389.22253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84787	0.4
55.01774	1.0
57.03331	1.4
57.32262	0.4
58.00494	1.3
59.01265	100.0
60.01607	1.5
69.03341	0.9
69.61269	2.7
71.01270	27.6
71.04909	0.5
72.01623	0.5
72.99209	0.7
73.02837	23.0
75.00767	0.8
83.01278	7.1
85.02846	5.9
85.99998	0.8
87.00777	3.1
87.04424	1.1
89.02340	11.5
93.03312	0.5
95.01301	1.4
97.02853	1.0
97.06493	2.3
98.19795	0.6
99.00789	1.8
101.02348	28.2
101.05987	0.5
102.02695	0.6
111.04408	0.5
113.02351	11.1
114.02669	0.5
119.03424	4.6
125.02378	1.2
131.03452	1.4
135.04428	0.7
143.03426	2.3
149.04504	0.8
149.09686	0.6
155.03435	0.8
159.02989	0.6
161.04495	8.5
167.10730	12.1
168.11119	0.7
179.05591	1.5
185.11786	7.0
191.05704	0.5
193.38631	0.5
213.34253	0.4
311.14929	0.6
328.24606	0.4
329.16171	9.8
343.42712	0.4
347.17166	21.3
348.17584	1.7
389.18253	17.7
389.25580	2.9
390.18643	2.4
390.25479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.4
57.03341	0.9
57.53944	0.3
58.00478	0.5
59.01263	100.0
60.01605	1.3
64.49049	0.3
65.99976	0.3
67.29036	0.3
69.03344	0.8
70.57655	0.7
70.58025	0.6
71.01269	18.7
71.04912	1.1
72.99210	0.6
73.02834	8.2
73.77761	0.4
74.94067	0.3
75.00771	0.6
83.01258	2.9
85.02835	5.9
87.00767	4.3
88.39868	0.3
89.02341	7.6
91.69653	0.3
95.01302	1.0
97.02896	0.6
97.06484	6.4
98.20615	0.3
99.00771	1.7
101.02345	13.9
102.02689	0.3
103.03952	0.4
113.02355	9.1
119.03409	2.6
119.16505	0.3
125.02398	0.6
127.07567	2.0
131.03400	0.5
143.03450	1.3
149.09627	0.3
159.03049	0.6
161.04506	6.7
167.10732	4.7
179.05638	0.7
185.11787	8.5
185.13446	0.5
186.12088	0.3
203.05568	0.3
227.12885	0.6
257.14090	0.4
259.12091	0.4
286.17236	0.4
329.16119	9.0
330.16541	0.7
347.17178	19.8
348.17551	2.2
389.11667	0.5
389.12717	0.5
389.18277	4.0
390.18375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1829
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
54.63101	0.5
55.01514	0.5
55.01770	2.2
57.03344	3.4
58.00487	3.7
59.01268	100.0
60.01610	1.3
63.86584	0.5
66.28592	0.5
69.03351	1.3
71.01275	56.4
71.04919	0.8
72.01598	1.1
72.99197	4.3
73.02841	7.6
75.00794	1.0
83.01267	5.3
83.04919	1.2
85.02848	15.7
87.00775	4.0
89.02345	46.2
90.02666	1.0
93.03381	2.3
95.01286	3.3
96.95951	0.8
97.02870	0.9
97.06519	2.2
98.19753	1.2
99.00776	3.0
101.02354	35.7
101.06013	0.7
102.02699	0.9
109.06497	0.7
111.08092	0.6
111.11960	0.5
113.02364	22.6
119.03431	21.2
119.04858	0.8
120.03782	0.7
120.99721	0.7
121.02879	0.8
123.08100	1.6
125.02378	1.3
131.03467	1.7
131.08629	0.7
133.10204	2.6
135.11736	19.5
135.12729	1.0
142.82495	0.6
143.03468	3.2
147.04510	0.9
147.11754	2.6
149.04530	1.7
149.09679	5.3
159.03000	1.6
161.04512	9.9
163.03990	0.8
165.12860	1.5
166.02748	0.7
173.04524	0.7
179.05608	4.1
187.19267	0.6
191.05626	1.7
209.11906	2.1
209.15414	0.6
225.09421	0.5
227.12997	2.6
227.16560	2.8
283.11917	0.9
328.09039	0.7
329.16336	1.4
347.17282	1.2
371.17035	0.6
389.10367	1.7
389.18378	61.2
389.22263	14.4
390.18268	6.9
390.22629	1.8
394.79501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.6
59.01263	100.0
60.01598	0.7
64.74800	0.3
69.03355	0.3
69.73122	1.7
71.01271	7.1
71.04916	0.4
73.02829	2.6
75.00764	0.4
83.01284	0.8
85.02839	2.3
85.06477	0.5
87.00784	0.8
89.02341	3.3
93.03339	0.3
95.01335	0.4
96.95934	0.7
96.96869	0.3
97.06490	3.0
98.19868	0.4
99.00796	0.7
101.02352	4.7
101.03010	0.4
108.07610	0.3
113.02367	4.0
115.07561	6.2
115.08338	0.5
116.07896	0.5
119.03426	1.8
125.02370	0.3
143.03482	1.0
159.02885	0.4
161.04509	5.0
167.10765	1.0
179.05602	0.8
185.11772	2.7
191.05626	0.8
238.07224	0.3
285.51273	0.3
329.16107	4.8
330.16565	0.4
347.17163	1.3
389.18045	3.7
390.18405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1507
Annotation	Isochromophilone II
Peak:m/z	Relative Intensity
59.01264	24.0
69.03358	1.0
69.64001	4.3
69.64420	1.9
71.01276	2.2
73.02856	1.0
78.95815	0.8
83.01302	1.2
85.02843	1.8
87.00774	1.4
97.02855	23.6
97.06485	0.7
98.19633	0.8
99.04427	0.9
109.02837	1.8
121.06440	0.9
122.03680	1.7
125.02339	2.8
126.11501	0.8
127.07576	9.5
161.09702	0.9
165.05544	1.2
171.49495	0.8
173.09727	0.7
179.10898	0.7
180.49951	0.8
185.03467	5.0
189.12846	8.2
191.07149	3.2
203.14381	2.2
205.08701	8.4
207.10167	3.7
269.19156	4.4
270.19580	1.1
280.31860	0.8
283.17169	4.1
287.20187	1.1
295.17212	1.1
313.14575	1.4
313.18149	29.9
314.18573	4.2
331.19211	30.5
332.19537	3.5
353.17242	1.5
362.46970	0.9
389.15097	100.0
390.15445	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	389.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01602	1.3
69.18141	1.1
79.86840	1.2
96.96909	1.3
97.02895	1.7
97.52652	1.1
125.02383	17.7
191.05612	3.4
215.99118	1.1
229.18536	1.4
237.06914	1.2
249.54182	1.1
252.47961	1.1
292.00076	1.2
314.49252	1.2
359.13062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01615	2.1
62.95303	0.9
71.01287	0.9
71.14973	1.9
97.02850	2.2
100.20620	0.8
125.02370	20.9
152.02222	0.9
187.80566	0.9
207.33427	0.9
389.22864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32696	0.8
59.01264	100.0
60.01582	1.2
61.70022	0.8
69.03338	1.1
69.70585	4.9
71.01239	1.8
75.09572	0.8
76.30586	0.7
78.95809	1.0
87.00760	1.2
89.02317	1.6
93.03400	0.9
96.96857	2.5
97.02840	2.6
101.02312	1.2
125.02364	19.2
145.06120	3.7
191.05560	9.0
227.19852	0.8
239.39377	0.9
242.02676	0.8
329.16238	1.0
363.82019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31954	3.0
53.33469	3.7
59.01265	100.0
69.57088	24.0
71.01270	22.1
72.99194	3.3
73.02828	6.6
83.01294	3.4
85.02842	6.5
89.02335	6.6
93.03356	27.5
95.01311	6.3
98.20544	6.0
101.02341	13.5
108.02087	17.8
109.02895	16.1
112.55830	2.8
113.02390	4.6
117.03423	14.4
119.04948	35.1
121.02882	31.3
123.00842	4.4
123.04405	9.0
124.01636	4.9
125.02422	6.1
129.03436	3.8
129.35381	3.1
131.04926	5.6
132.02109	3.9
133.02890	7.3
134.03683	26.3
135.04440	5.2
136.01584	8.5
137.02373	26.6
138.03119	5.1
145.02951	4.1
145.06506	11.3
146.03722	3.5
147.04456	87.0
148.05019	3.1
149.02435	5.8
151.03947	7.5
152.01111	3.4
153.01839	6.2
159.04457	24.3
161.04559	7.9
161.05836	3.8
162.03177	64.5
163.03966	61.4
164.04736	20.8
166.02693	4.4
177.05515	7.8
178.02663	4.0
183.08194	4.9
185.06119	4.5
191.05649	8.6
192.04263	51.1
193.04834	7.9
225.09256	8.4
236.08405	6.7
241.08694	5.9
249.58043	3.2
251.07091	7.5
252.08040	17.8
252.10281	3.1
253.08719	85.7
254.09184	13.7
256.78781	3.2
258.05435	5.4
267.06802	4.9
267.10263	32.4
268.07266	3.6
268.11057	22.6
269.08145	5.0
283.09766	10.3
300.10126	4.0
301.10855	13.6
329.16147	8.6
345.10373	3.4
347.16797	4.6
356.08984	16.7
357.09744	3.4
358.60074	3.2
389.08618	23.3
389.18216	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84840	0.2
55.01523	0.4
55.01771	6.9
57.03332	0.3
59.01261	0.8
69.03325	0.2
69.65186	1.9
81.03365	0.2
82.17355	0.2
82.47289	0.3
83.04913	3.2
85.02843	57.7
86.03178	1.4
87.18484	0.2
99.04392	0.3
102.01659	0.3
114.78002	0.2
123.08038	0.8
130.92647	0.2
150.61945	0.2
163.11208	0.2
179.45761	0.3
235.66353	0.2
273.22333	0.4
287.20215	0.3
294.75677	0.3
301.21786	27.9
302.22147	3.5
310.57315	0.3
387.25491	100.0
388.25851	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	387.255
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
51.04102	0.3
55.01776	18.1
56.02102	0.5
67.01772	0.4
69.03347	1.1
70.06405	0.7
70.06815	1.2
71.04906	0.4
73.32634	0.3
76.54726	0.3
83.04921	8.9
84.33774	0.3
85.02847	50.2
85.48782	0.4
86.03182	0.9
92.97571	0.3
98.20502	0.3
99.04398	0.4
105.03761	0.4
109.06487	0.4
111.08069	0.8
123.08076	3.2
163.11217	0.4
259.20819	0.9
273.22275	0.9
301.21817	17.4
302.22171	2.2
343.26511	0.8
387.25504	100.0
388.25876	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	387.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.7
59.01265	10.4
71.01268	0.6
78.95795	1.1
83.04955	0.7
85.02844	100.0
86.03163	2.6
87.00764	0.5
87.03825	0.4
87.04408	1.4
99.04398	1.3
109.06488	0.5
111.08087	1.4
141.01599	0.6
205.03551	0.4
233.75761	0.5
240.67937	0.5
244.16156	0.4
273.22348	0.7
287.20291	0.8
301.21790	15.6
302.22165	1.7
343.26566	5.2
344.27063	0.5
387.25491	34.0
388.25949	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	387.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	2.2
58.65982	0.4
59.01265	56.1
63.42484	0.4
67.32500	0.4
69.03330	0.8
69.39046	4.0
71.01270	3.7
71.04902	2.2
72.99217	0.6
73.02841	2.0
74.02367	1.4
83.04919	2.8
84.02065	1.0
85.02849	3.7
89.02335	2.3
91.33418	0.5
95.04946	0.9
97.06513	0.9
99.04475	0.5
99.08058	10.6
101.02346	3.2
101.05978	5.6
109.06458	0.5
110.35043	0.4
111.08046	0.9
113.02319	0.8
113.09633	0.8
119.03417	0.9
119.04956	0.6
123.08085	1.6
125.09649	4.6
129.09206	0.7
133.02904	0.8
135.04503	0.7
137.09642	1.1
139.11206	0.5
141.09154	1.9
151.11212	1.1
153.12759	0.8
161.02443	0.7
161.04521	0.8
163.03951	0.7
163.11232	2.2
165.12799	24.5
166.13133	1.5
169.12358	0.8
177.01883	0.7
179.07130	0.6
181.10786	0.8
181.12305	11.5
182.12614	0.5
183.13890	6.4
183.15402	0.8
185.67528	0.5
185.77951	0.4
191.05605	0.8
209.08186	0.6
227.12863	2.8
245.13922	2.0
271.02670	0.5
299.02081	0.5
300.02634	0.6
309.20593	0.5
327.21829	31.3
328.22141	3.2
345.22879	100.0
346.23242	10.8
387.23941	59.7
388.24350	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	387.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	29.6
71.52293	7.1
73.72052	3.6
74.30915	3.7
82.11876	4.4
83.04881	4.1
85.02827	8.6
87.04412	100.0
89.02386	4.1
127.38014	3.9
165.80174	3.9
176.32835	4.5
206.30009	4.5
299.20163	16.9
336.61230	5.2
387.25443	64.1
388.25732	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	387.2036
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01765	0.8
56.21752	0.1
57.03343	0.7
58.00483	1.1
59.01265	100.0
60.01604	1.3
61.98717	0.3
68.99669	0.1
69.03339	0.4
71.01270	23.8
71.04944	0.1
71.59361	0.1
71.59794	0.2
72.01601	0.3
72.99191	1.5
72.99573	0.1
73.02837	10.9
74.03162	0.2
75.00758	0.5
79.95667	0.1
81.03357	0.2
83.01278	4.2
83.04930	0.1
84.02070	0.2
85.02840	6.3
85.99994	0.2
87.00771	1.5
87.04408	1.0
89.02339	15.7
90.02688	0.3
94.63563	0.1
95.01290	1.2
95.04892	0.2
97.02854	0.4
97.06513	0.1
99.00771	1.5
99.04427	0.2
101.02347	20.0
101.05990	0.8
101.07523	0.1
102.02696	0.5
105.03365	0.2
109.02845	0.1
111.00786	0.2
113.02356	9.3
114.02722	0.3
115.03919	0.1
119.03419	7.5
123.28008	0.1
125.02351	0.9
129.01872	0.1
131.03424	1.4
133.02890	1.2
134.03694	0.5
135.04454	1.1
137.02402	0.2
137.06082	0.1
139.04015	0.1
143.03439	2.5
149.04494	1.1
149.75638	0.1
151.03867	0.1
154.49033	0.1
155.03409	0.3
159.02893	0.4
161.02370	0.4
161.04500	5.6
162.04848	0.2
165.09161	0.2
165.12790	0.3
177.01883	0.4
178.02573	0.3
178.04811	0.1
179.03456	0.6
179.05576	4.1
183.13788	0.2
191.05522	0.1
193.05002	0.2
209.08168	0.1
225.14908	0.4
242.17908	0.1
267.30554	0.1
301.20166	0.3
327.14569	0.1
327.18063	1.1
327.21744	0.4
343.21255	0.2
345.19254	7.4
345.22885	1.2
346.19662	0.9
387.20581	0.1
387.24164	0.8
404.96179	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	387.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.8
57.03336	0.8
58.00486	1.9
59.01267	100.0
60.01609	0.9
70.05399	1.7
71.01272	20.0
72.01608	0.7
72.99196	1.4
73.02857	1.3
83.01294	1.4
85.02848	6.0
87.00759	1.2
89.02339	21.4
92.08421	0.4
93.03354	2.9
93.04714	0.4
94.17569	0.4
95.01303	1.3
99.00735	0.5
101.02352	12.5
108.02097	0.7
109.02892	0.4
113.02359	9.0
117.45153	0.3
119.03419	8.7
123.02870	0.3
123.04493	1.1
129.69624	0.4
131.03464	0.5
143.03448	0.8
144.96193	0.4
149.04454	0.6
151.03960	1.5
158.81322	0.4
161.04518	2.7
163.11237	15.1
164.11624	0.7
166.67274	0.4
173.04515	0.9
179.05571	0.8
189.12862	2.2
189.14273	0.4
191.05597	11.3
191.07362	0.6
192.05901	0.7
195.02965	0.5
207.10251	2.5
207.13852	0.7
225.11229	0.9
232.71378	0.4
247.04762	0.5
387.16696	92.1
388.12198	0.7
388.17062	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	387.167
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.01327	0.7
58.00483	1.6
59.01265	90.7
60.01587	1.3
69.64168	1.8
69.64591	2.8
71.01273	17.7
72.99204	1.2
74.51016	0.6
77.73695	0.6
83.01288	1.3
85.02841	4.2
89.02338	17.7
95.01279	1.5
98.19787	0.8
101.02351	12.0
113.02355	6.6
119.03442	5.4
163.11235	5.4
164.11623	0.6
164.86255	0.6
207.10234	12.8
208.10596	1.7
225.11520	0.9
235.20660	0.7
387.16678	100.0
388.16949	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	387.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.6
57.03338	0.3
58.00483	0.9
59.01268	65.3
60.01598	0.8
61.90228	0.3
69.64738	2.2
71.01275	13.8
72.01628	0.3
72.99228	0.7
73.02838	0.5
80.25768	0.3
83.01270	0.8
85.02847	2.7
87.00758	0.5
89.02339	13.6
95.01298	1.3
98.20561	0.4
101.02354	7.9
113.02363	4.6
119.03422	5.0
131.03413	0.3
147.08049	0.9
163.11237	27.7
164.11589	1.9
207.10249	3.9
209.11868	0.4
212.82043	0.3
225.11497	0.3
245.62625	0.3
255.59427	0.3
366.85251	0.4
387.16696	100.0
388.17029	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	387.1097
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
55.19312	0.4
56.13000	0.4
59.01259	1.0
65.00222	0.8
69.64676	2.4
69.65097	0.9
70.93999	0.5
71.01260	0.6
73.02843	0.5
74.15336	0.4
81.40963	0.4
89.03860	0.5
91.01793	4.8
95.01241	0.5
96.99223	5.4
108.02084	1.3
109.02872	5.3
117.03367	2.1
121.02879	1.6
123.04446	8.0
124.01610	0.8
132.02145	0.4
133.02928	1.0
134.03679	29.8
135.04398	0.9
137.02354	1.1
143.58112	0.4
145.02914	3.8
146.03693	10.1
147.04495	4.3
148.01590	1.1
148.05342	0.8
149.06055	3.2
150.03180	0.6
153.05600	0.7
158.03682	8.2
158.67250	0.4
159.04485	15.7
160.01651	1.3
160.04897	0.8
161.02432	1.0
161.06044	5.0
162.06651	0.5
163.03987	2.3
173.02382	0.4
173.06041	6.1
174.03178	0.8
175.03949	2.0
178.02695	2.8
179.08820	0.4
187.03990	1.3
193.05040	11.0
194.05458	0.8
225.05621	0.5
239.07104	0.9
241.05188	1.4
249.05519	0.8
250.06320	1.8
253.05145	0.4
256.07458	1.5
265.05338	0.5
265.08746	1.0
266.05896	4.7
267.06647	7.0
268.07361	2.9
269.08307	1.3
271.09729	2.1
277.05170	1.8
278.05786	0.9
280.07501	0.9
281.08246	10.9
282.08987	5.7
283.09753	4.5
284.10562	3.3
285.10855	0.5
293.08185	0.5
294.05365	0.9
295.06186	14.3
296.06494	1.9
297.11426	0.8
309.07797	1.9
310.08533	12.3
311.08978	1.3
312.88525	0.5
325.10901	6.8
326.11380	1.0
339.05164	0.6
343.11935	1.5
354.07440	1.5
369.09933	5.0
387.10965	100.0
388.11288	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	387.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11355	1.4
55.87984	1.6
57.03325	1.6
57.12359	1.4
58.24443	1.3
59.01268	6.6
63.25613	1.6
67.01781	2.7
69.03316	1.6
71.01274	4.0
71.29055	3.4
71.53675	1.4
72.99197	8.4
77.03872	1.4
81.03351	5.4
83.04913	1.8
83.52471	1.5
85.02841	14.2
87.00780	4.3
89.03848	2.9
93.03366	19.4
95.01295	1.5
95.04952	4.7
97.02821	1.9
105.03358	3.3
107.04947	6.2
108.02102	8.0
109.02879	7.1
111.04430	4.8
116.66721	1.4
119.04952	8.2
121.02891	5.4
123.04443	20.3
125.02345	2.9
127.03923	5.0
133.02898	17.9
134.03639	1.4
135.04448	11.8
137.02386	2.7
137.82040	1.5
149.02351	1.6
151.03955	42.8
151.05176	2.2
155.03453	2.9
163.03972	7.6
173.04509	21.2
174.05104	1.5
177.01921	6.7
178.02632	3.4
179.03426	12.1
191.05591	100.0
192.05923	6.0
195.02986	7.7
213.04095	4.4
226.70476	1.5
337.09219	3.6
353.08881	1.8
387.09354	6.6
387.16586	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	387.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10214	1.0
55.01760	1.8
59.01258	4.1
67.01767	2.6
68.99706	1.5
70.95776	3.0
71.01266	4.2
72.99195	7.8
78.75502	1.3
81.03341	7.3
83.01274	1.3
83.04913	1.4
85.02840	17.8
86.03204	1.3
87.00770	5.1
89.03861	1.4
93.03359	25.9
95.04926	4.7
97.02849	1.7
105.03356	4.1
105.04018	1.1
107.04949	8.4
108.02085	9.1
109.02897	9.4
111.04440	6.9
112.21229	1.1
113.02382	1.5
119.04939	8.9
121.02891	6.9
122.03714	1.7
123.04445	24.5
124.04792	1.4
125.02367	2.2
127.03951	5.6
129.01859	1.4
133.02885	19.0
134.03661	3.4
135.04456	14.5
136.01605	1.4
137.02362	2.8
149.02318	1.7
151.03952	40.5
152.04497	2.4
155.03464	5.6
161.02429	1.7
163.03951	14.3
169.05087	1.7
171.02971	1.4
173.04500	17.2
177.01927	10.9
178.02568	2.3
179.03488	12.2
191.05595	100.0
192.05913	5.1
195.02957	7.5
213.04063	8.1
255.57394	1.1
333.42780	1.2
337.09421	5.2
353.08969	1.3
378.18542	1.2
387.09549	6.2
387.16696	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	387.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47101	0.6
56.52560	0.6
56.84985	0.6
57.03351	0.8
58.00490	1.0
59.01269	58.4
60.01580	0.8
67.01781	2.2
69.03342	0.8
69.66984	4.8
71.01273	18.5
72.99203	5.9
73.02832	2.1
75.00767	1.0
81.03349	1.6
83.01279	1.4
83.04914	1.0
85.02857	17.0
87.00774	6.1
89.02345	15.2
89.02899	1.0
89.03903	0.9
93.03365	28.7
94.83427	0.7
95.01299	1.0
95.04907	1.0
97.02897	0.8
99.00778	1.2
101.02350	10.5
108.02077	7.0
109.02880	3.2
111.04451	3.4
113.02348	6.9
116.04951	0.9
119.03426	6.4
119.04954	3.2
121.02842	4.5
122.08787	0.8
123.00833	0.8
123.04456	7.5
125.05965	0.7
127.03938	3.1
129.01891	1.1
133.02887	4.4
135.04451	1.3
137.02402	1.4
147.08128	0.8
149.02385	1.1
151.03954	14.6
152.04378	1.2
155.03459	1.1
161.04550	2.1
163.03943	3.4
163.11263	7.9
164.04427	0.8
171.03011	1.0
173.04504	9.8
174.04797	1.5
177.01913	2.3
178.02673	0.7
179.05566	1.2
189.12781	0.9
191.05594	100.0
192.05914	4.8
195.03020	5.0
207.10251	2.8
211.32108	0.8
213.03989	1.0
247.04602	1.0
327.08853	0.7
337.09042	1.2
369.08356	1.1
387.09653	1.7
387.16693	50.1
388.11954	1.4
388.17041	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	387.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47101	0.6
56.52560	0.6
56.84985	0.6
57.03351	0.8
58.00490	1.0
59.01269	58.4
60.01580	0.8
67.01781	2.2
69.03342	0.8
69.66984	4.8
71.01273	18.5
72.99203	5.9
73.02832	2.1
75.00767	1.0
81.03349	1.6
83.01279	1.4
83.04914	1.0
85.02857	17.0
87.00774	6.1
89.02345	15.2
89.02899	1.0
89.03903	0.9
93.03365	28.7
94.83427	0.7
95.01299	1.0
95.04907	1.0
97.02897	0.8
99.00778	1.2
101.02350	10.5
108.02077	7.0
109.02880	3.2
111.04451	3.4
113.02348	6.9
116.04951	0.9
119.03426	6.4
119.04954	3.2
121.02842	4.5
122.08787	0.8
123.00833	0.8
123.04456	7.5
125.05965	0.7
127.03938	3.1
129.01891	1.1
133.02887	4.4
135.04451	1.3
137.02402	1.4
147.08128	0.8
149.02385	1.1
151.03954	14.6
152.04378	1.2
155.03459	1.1
161.04550	2.1
163.03943	3.4
163.11263	7.9
164.04427	0.8
171.03011	1.0
173.04504	9.8
174.04797	1.5
177.01913	2.3
178.02673	0.7
179.05566	1.2
189.12781	0.9
191.05594	100.0
192.05914	4.8
195.03020	5.0
207.10251	2.8
211.32108	0.8
213.03989	1.0
247.04602	1.0
327.08853	0.7
337.09042	1.2
369.08356	1.1
387.09653	1.7
387.16693	50.1
388.11954	1.4
388.17041	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	386.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10193	0.2
57.03345	0.8
59.01266	8.1
61.98713	0.2
69.03343	0.3
69.81629	1.3
71.01270	0.8
71.04919	0.6
72.04434	3.2
73.02829	0.5
74.02362	100.0
75.02681	1.1
83.04920	1.0
85.02859	0.8
87.00761	0.2
88.50742	0.2
95.98105	0.2
96.02856	0.2
97.06506	0.4
99.08060	2.2
101.02351	0.5
101.05894	0.2
109.06484	0.2
113.02317	0.3
123.08095	0.4
125.09631	1.3
132.23157	0.2
139.11226	1.2
156.13898	0.7
157.12314	0.4
161.04520	0.5
163.11139	0.3
165.12808	1.9
167.14308	0.3
181.12364	0.8
183.13881	0.5
184.13406	1.2
187.09688	0.3
193.12349	0.4
196.17017	1.7
212.16556	0.6
222.14946	0.4
224.16580	0.9
242.17673	0.5
266.07669	0.6
273.45422	0.2
327.21768	2.4
345.22910	8.5
353.30920	0.2
368.24796	0.3
386.25562	82.3
387.26007	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	386.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.7
58.33189	0.5
59.01266	6.2
59.26640	0.5
63.00543	0.6
67.02898	1.4
68.01305	7.4
71.01273	3.9
71.60850	1.1
72.99194	0.7
73.02843	2.4
75.00755	1.0
77.01324	0.9
78.61833	0.6
78.95798	100.0
82.02871	1.0
83.01266	0.9
83.02412	0.6
85.02840	1.5
87.00774	1.0
89.02356	1.4
91.02930	0.7
93.03360	2.4
95.02413	2.6
96.96870	96.3
97.03975	4.1
98.02403	3.3
101.02349	1.9
105.01869	1.2
107.02417	1.2
109.02859	1.7
109.04010	1.0
110.03551	0.7
111.01870	1.0
113.02389	0.9
119.04909	1.4
122.03519	1.6
122.06046	1.1
125.03499	36.5
126.03834	1.1
134.03546	4.4
137.02475	0.6
145.02811	1.4
152.04601	9.5
153.01897	2.0
163.03970	1.6
173.04530	2.4
191.05609	5.4
192.05905	0.7
200.48892	0.6
207.04256	2.7
231.07814	0.9
233.09514	79.4
234.09846	6.3
235.10051	1.1
249.09027	32.5
250.09320	1.6
272.10748	1.9
290.11716	3.5
301.09991	0.6
359.14017	1.2
386.15109	5.2
387.11020	1.5
387.16202	1.5
387.20667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	8.8
65.99753	0.8
67.02888	1.6
68.01302	8.4
69.03373	1.9
70.97909	1.5
70.98245	1.5
71.01274	4.2
73.02849	2.8
73.83522	0.8
74.29650	0.8
78.95795	100.0
82.02905	0.9
83.01308	0.8
83.72563	0.8
84.00813	0.8
85.02866	2.0
87.00777	1.2
89.02330	1.2
91.02927	1.4
93.03365	2.4
95.02407	2.7
96.95881	2.7
96.96862	97.3
97.03970	3.7
98.02383	3.2
101.02340	2.9
107.02440	2.3
109.03973	1.4
110.03497	1.2
111.01902	0.9
111.04440	0.9
119.04951	2.5
122.03530	2.5
125.03490	37.1
126.03830	1.5
126.23740	0.8
134.03522	3.7
136.01590	1.6
137.02361	1.6
145.02812	1.9
151.03958	2.1
152.04601	10.3
153.01912	2.4
155.03378	1.1
162.05556	1.0
163.03984	2.3
173.04472	2.5
181.05038	1.1
191.05618	7.0
207.04294	2.2
233.09500	75.3
234.09833	8.9
249.09009	27.2
250.09296	1.9
272.10638	1.4
290.11728	3.4
312.41858	0.7
366.17163	0.9
386.14835	3.9
387.11810	1.4
387.16696	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2396
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
51.29491	0.4
55.01780	0.5
56.15786	0.4
59.01270	3.8
61.98729	0.5
71.01273	0.9
71.58826	0.4
71.59225	0.5
85.02847	100.0
86.03194	2.0
89.02328	0.5
100.26062	0.4
169.03894	0.4
299.20221	10.2
300.20605	1.3
302.62775	0.5
385.23938	39.3
386.24210	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	385.2241
Annotation	Oleandolide
Peak:m/z	Relative Intensity
50.01075	0.4
53.94430	0.5
59.01267	8.9
61.98708	0.6
63.02195	0.4
63.35829	0.5
71.01273	3.0
71.07817	0.6
71.08167	0.6
73.02816	0.6
79.28525	0.5
85.02814	0.5
89.02307	1.9
91.03908	3.3
115.07542	0.6
121.02840	0.8
122.03658	1.2
125.02325	0.9
126.03139	0.7
135.04440	1.2
136.05185	0.5
148.05229	0.4
161.02362	1.0
161.04472	0.7
167.14391	3.5
168.04211	0.8
179.03375	0.5
181.08670	0.9
193.15929	1.3
207.17500	1.4
208.17830	0.4
223.20734	2.3
231.17596	0.5
233.15457	1.0
249.18640	7.8
250.19057	0.6
267.19711	100.0
268.20020	10.0
275.16586	12.8
276.16980	1.1
293.17657	70.3
294.17981	7.7
311.18674	11.2
312.19131	1.3
325.11603	0.6
367.21335	7.2
368.21732	1.2
385.22433	78.9
386.22778	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	385.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01613	1.1
68.01330	0.6
70.76599	1.3
71.01294	0.7
71.36659	0.4
78.95796	20.3
85.02824	0.7
93.03353	1.0
95.02427	0.6
96.96872	18.0
98.02399	0.5
122.03550	0.5
123.97733	0.4
125.03495	4.5
134.03529	0.7
137.09680	1.3
152.04652	1.4
164.25191	0.5
173.04608	0.8
191.05574	2.4
233.09497	14.3
233.11646	0.8
234.09909	2.0
249.06653	0.8
249.09004	4.0
255.77599	0.5
290.12112	0.6
386.15289	0.9
387.70752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62380	0.6
58.29199	0.6
59.00985	1.1
59.01265	9.1
62.64835	0.6
71.01257	0.7
79.95612	1.1
85.02882	0.9
89.02329	0.8
93.03374	0.7
96.95906	0.7
97.02345	0.7
97.02835	3.8
97.06472	0.9
98.20594	1.1
109.02884	1.2
118.69106	0.6
123.08064	1.2
127.07574	21.2
128.07915	0.8
144.13312	0.7
157.03984	0.7
161.02475	0.9
161.09732	0.6
163.11171	0.7
165.05537	1.1
165.09181	0.8
179.03381	0.7
191.07108	9.5
192.07364	0.9
203.14384	2.1
205.08710	7.4
206.09410	1.5
207.10193	1.0
221.08258	1.5
269.19250	1.2
313.18176	10.2
314.18484	1.2
331.19241	44.8
332.19583	5.2
349.20285	100.0
350.20636	12.6
355.13080	1.2
385.20581	2.3
409.26465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.2
57.03355	0.3
59.01269	100.0
60.01609	1.0
61.98703	0.2
66.29564	0.1
69.34120	1.2
69.34534	0.3
71.01275	6.2
73.02843	1.4
83.01279	0.6
85.02847	2.3
87.00771	0.2
89.02345	0.4
95.01318	0.5
99.00217	0.2
99.00806	0.6
101.02355	2.6
113.02370	2.7
119.04890	0.2
121.06501	1.1
125.02412	0.2
143.03459	0.4
148.05249	10.4
149.05618	0.5
159.02983	1.0
161.04512	6.6
162.04915	0.2
163.07610	8.5
164.07993	0.5
173.04581	0.3
191.05568	0.3
326.40186	0.2
406.52817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.2
57.03329	0.2
59.01266	100.0
60.01603	1.0
64.83448	0.2
66.87742	0.2
69.46083	2.2
71.01270	5.3
73.02827	1.8
83.01266	0.5
85.02844	2.4
87.00784	0.2
89.02332	0.3
98.19766	0.2
99.00809	0.9
101.02347	3.7
104.30758	0.3
113.02366	2.9
133.84187	0.3
143.03374	0.3
148.05238	12.1
149.05647	0.6
159.02988	0.9
161.04506	7.3
161.05830	0.4
162.05029	0.3
163.07596	9.8
164.04707	1.0
165.05132	0.8
166.05255	0.6
174.01741	0.3
179.07047	0.5
180.07520	0.5
191.05594	0.3
226.83334	0.2
227.92372	0.2
232.25644	0.2
328.12613	0.2
330.01801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01600	1.1
60.49416	0.7
65.76435	0.6
70.03748	0.7
71.01257	0.9
73.02837	0.7
78.95791	6.2
83.32661	0.7
85.94656	0.7
96.96863	3.6
101.02335	1.5
125.03520	0.7
139.44882	0.8
229.58707	0.6
233.09491	4.2
235.08142	0.6
237.74269	0.7
249.09126	1.5
278.25153	0.8
354.56555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.3
57.03349	0.5
59.01267	22.1
68.20471	0.3
69.03342	0.4
71.01270	6.9
71.08237	0.9
72.99219	0.5
73.02839	9.7
74.90123	0.3
81.06979	0.8
82.95205	0.3
83.01268	2.3
85.02831	1.2
87.00758	0.3
89.02335	1.3
93.03357	0.9
95.01289	0.5
95.04898	0.5
97.02939	0.3
101.02346	8.0
107.04916	0.6
113.02369	2.2
117.97212	0.5
119.03448	0.7
121.02881	4.5
125.02380	0.5
131.03455	0.8
134.63190	0.3
134.78455	0.3
135.04471	0.7
135.08093	0.7
137.02399	1.1
137.09612	1.0
139.03905	0.3
143.03398	0.7
149.04533	0.8
151.03967	0.5
155.03331	0.5
161.04434	1.8
163.04002	0.4
165.09175	1.0
173.04507	0.5
180.03979	0.3
181.08665	100.0
182.09013	5.1
191.05595	1.0
203.05595	0.5
221.06696	0.6
223.09853	0.7
223.84795	0.3
278.25958	0.3
325.13092	0.7
343.14096	1.3
344.94479	0.5
385.11020	0.5
385.15237	5.4
386.15298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54013	1.0
55.61285	1.0
57.03330	3.8
59.01262	17.8
67.01776	2.7
68.99698	2.8
69.59528	7.8
71.01272	20.0
72.99206	5.2
75.00764	14.7
85.02840	24.4
87.00768	9.5
89.02337	6.5
91.05429	16.6
93.03348	2.7
95.01279	6.5
99.00780	8.2
103.00267	3.0
107.45560	1.0
111.00784	3.3
113.02366	28.2
114.02721	1.6
115.00269	2.3
117.01866	2.7
117.03387	3.7
119.04961	1.7
121.02872	88.2
122.03185	3.2
129.01857	3.5
135.04468	8.6
155.03571	1.1
157.01350	1.7
163.03935	2.8
175.02408	2.9
191.05591	4.0
205.07092	2.0
207.05078	1.3
218.90376	1.2
231.05122	3.5
249.06187	35.7
250.06604	3.0
263.07773	28.1
264.08081	1.2
267.07278	100.0
268.07571	5.7
295.49658	1.0
324.02832	1.0
325.09357	1.4
353.08603	1.3
385.11490	70.3
386.11725	7.0
397.52533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58223	2.3
57.03320	4.6
59.01262	100.0
60.01601	2.5
67.01772	3.9
69.49725	18.8
71.01272	34.4
72.99184	5.6
73.02827	25.5
78.95773	2.2
85.02842	54.2
87.00784	17.0
87.04433	2.7
88.61866	2.1
89.02339	27.5
91.91387	2.4
93.03359	27.9
94.52338	2.1
96.96864	3.5
101.02342	50.8
103.03912	22.8
111.04391	4.1
113.02389	3.6
115.03922	4.1
115.61894	2.2
119.03387	11.8
121.02854	3.6
127.03976	3.9
129.01878	3.2
131.03436	8.1
134.03676	2.5
136.01595	6.2
137.06041	3.0
139.03880	5.5
143.03397	6.9
145.05031	8.7
147.02936	3.8
149.02325	6.5
149.06061	2.3
151.03975	14.3
158.43723	2.2
163.06075	78.3
173.04523	20.6
180.48065	2.0
191.02007	11.3
191.05582	76.4
192.05914	4.9
193.01379	5.0
193.06058	4.2
205.07195	16.3
209.03036	2.9
211.06117	8.7
269.77927	2.2
287.94708	2.5
339.79871	2.1
385.07352	3.3
385.11606	19.0
386.12256	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.1
57.03352	1.5
58.00469	0.6
59.01270	17.9
67.01778	2.8
69.03350	1.1
71.01276	18.8
71.59429	0.4
71.59816	0.6
72.99201	3.4
73.02821	3.2
75.00764	0.5
83.01296	2.2
83.04940	0.5
85.02853	13.5
86.00007	0.6
87.00764	4.4
89.02345	8.2
91.81583	0.4
93.03368	3.9
95.01284	2.6
96.95957	0.5
97.02863	1.5
99.00799	1.9
100.01579	0.7
101.02360	8.1
107.04971	0.5
108.02110	0.6
108.05788	0.4
109.02888	1.0
109.06522	0.4
111.00811	2.3
111.04452	1.6
112.01592	0.5
113.02363	11.3
113.06008	0.5
115.00294	0.9
117.03429	0.5
119.03440	2.6
119.04916	3.2
121.02879	100.0
122.03153	3.6
123.04457	0.5
123.08107	1.0
124.01574	0.4
125.02401	0.7
127.00314	1.0
129.01854	1.3
130.39366	0.4
131.03459	0.6
134.03664	1.0
136.05205	0.7
137.02353	1.2
138.06805	5.6
139.00272	1.6
139.03951	0.5
139.07558	1.7
143.03452	0.8
145.02882	0.7
149.02359	1.4
151.07597	5.3
152.04820	0.5
152.08389	8.7
153.09161	18.9
154.09465	0.5
155.03426	0.6
157.01358	1.2
159.02943	1.0
161.04517	3.6
163.03957	2.2
163.11211	1.2
165.09224	0.5
169.92331	0.5
173.04543	4.2
179.05588	0.6
181.04974	0.7
191.05585	9.1
192.05943	1.3
193.01361	1.1
205.12341	6.3
207.02989	0.6
208.03732	1.0
223.06128	2.6
223.13434	3.4
224.13576	0.5
231.05144	1.1
250.06645	0.5
263.07785	7.7
264.07950	0.7
349.42651	0.5
385.11383	26.2
385.19141	1.2
386.11752	3.4
386.18954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01266	3.9
60.99181	0.7
65.03856	0.7
67.01781	3.0
68.99687	0.6
69.03340	1.8
71.01264	2.8
72.99193	4.4
74.43217	0.7
81.03346	2.2
83.04897	0.9
85.02850	14.0
85.68877	0.6
87.00774	8.0
90.55965	0.6
93.03362	31.1
95.01282	1.4
95.04930	2.4
97.02857	1.0
98.20544	1.8
99.04432	0.8
100.98719	0.6
105.03362	2.3
108.02069	0.8
109.02887	5.5
110.36903	0.6
111.04422	4.3
113.02374	0.7
121.02871	12.5
123.00816	2.7
123.04413	2.4
124.01623	0.7
125.02336	1.7
127.03993	3.0
127.04810	0.6
129.01833	1.1
135.04439	2.1
136.01613	1.5
137.02382	11.5
138.03154	0.8
139.03938	15.9
140.04271	0.8
148.01564	1.4
149.02390	19.5
151.03947	1.8
153.01837	1.5
155.03418	1.0
165.01884	4.6
167.03481	7.2
171.02977	1.5
173.04500	16.4
174.04813	0.8
179.03419	0.9
191.05589	100.0
192.05907	3.9
193.01401	27.0
194.01733	1.3
211.02516	4.7
215.05719	0.8
223.04599	1.5
229.16847	0.7
247.04634	2.2
367.06796	3.7
385.07764	17.5
386.08124	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	384.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.4
59.00993	1.4
59.01266	15.6
62.69689	1.1
68.01302	1.1
69.77591	2.2
69.78006	5.3
71.01283	10.6
73.02840	1.8
78.22232	0.9
81.03350	1.2
85.02830	2.1
87.76807	1.0
89.02351	1.6
92.07217	1.2
93.03365	29.5
96.95910	1.5
107.03716	1.5
107.04932	3.9
108.02079	7.2
108.04456	5.1
109.02876	12.0
113.02353	2.2
115.00298	12.2
117.03381	6.1
119.03486	1.7
119.04939	15.3
120.04471	1.2
121.02874	12.9
122.03647	2.0
122.06017	1.3
123.04456	5.1
130.04156	4.4
131.03697	4.7
131.04927	6.7
131.40245	1.1
132.04463	3.6
132.05646	2.9
133.02888	2.5
133.06508	3.1
134.03629	2.7
135.04451	8.0
136.05214	3.2
137.02414	5.0
137.06017	2.8
143.04942	9.9
144.04475	4.7
145.02846	1.6
145.05315	2.7
145.06528	21.1
146.06020	5.4
147.00815	1.4
147.03189	1.4
147.04428	2.7
147.25473	1.1
148.01569	2.0
148.05228	1.0
149.02367	2.4
149.04796	1.3
149.06010	3.7
150.03165	6.0
150.05551	5.5
151.03961	2.0
156.05688	1.3
157.06508	3.0
158.06064	2.3
160.03998	3.0
161.06010	2.3
162.03058	1.3
162.05547	1.5
163.03943	5.6
165.05499	3.0
168.04330	2.2
169.06549	2.8
170.06017	1.4
171.04410	2.1
171.08133	1.4
175.03886	1.7
175.07553	1.3
176.01128	3.9
179.03482	1.3
179.07109	1.3
181.08653	1.5
183.08064	3.3
185.06058	1.5
189.05536	9.0
191.03456	8.5
191.05531	3.3
193.06688	1.7
194.02119	1.2
195.08078	2.5
196.06801	1.4
197.06149	1.8
199.07538	2.1
202.04976	1.2
209.04501	8.9
209.06171	1.4
209.09724	1.4
210.06929	1.4
211.07623	2.6
213.01947	1.3
213.09178	1.3
215.03517	1.4
221.06110	5.4
222.06963	7.7
223.07689	10.7
224.10576	1.1
225.09241	1.4
226.06332	5.2
226.08713	3.0
227.07126	12.4
227.10599	1.3
233.04541	1.8
234.06975	1.5
235.07669	10.9
236.08476	11.4
237.09239	13.1
238.09712	2.0
239.07118	1.9
240.07948	2.2
241.08777	2.7
249.09203	4.1
250.08745	9.6
251.10858	28.7
252.11217	2.9
253.08684	3.1
254.11882	14.3
255.10286	29.5
255.12794	2.0
256.10727	2.4
263.07373	2.3
268.09863	6.3
269.11942	14.2
270.12234	1.8
276.10306	3.4
278.11935	46.3
279.12344	2.8
281.08496	1.5
296.12946	8.1
299.09442	2.6
304.09845	3.1
322.10892	2.1
325.09174	1.9
327.08759	1.6
340.11826	2.0
343.08282	2.9
366.09930	10.7
367.10315	1.9
384.10962	100.0
385.11404	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	383.2084
Annotation	13,14-dihydro-15-oxo-20-carboxy-PGF2alpha
Peak:m/z	Relative Intensity
51.77670	0.6
57.03317	2.5
59.01270	6.1
59.91062	0.6
69.03345	1.8
71.01280	2.2
71.04908	1.9
71.58290	0.7
72.02003	0.7
73.02829	2.5
78.95813	0.9
81.03349	2.6
83.04908	2.3
85.02834	2.9
87.00761	0.9
87.04417	4.1
97.02814	0.7
97.06496	1.6
99.04422	3.5
101.02310	1.3
110.22262	0.6
111.08086	0.9
113.02376	1.3
117.03373	2.2
123.08066	2.2
129.13229	0.6
145.02882	8.1
151.11302	1.0
152.99554	1.3
153.09196	1.0
163.03957	0.9
163.74373	0.7
179.03481	1.6
191.05571	2.3
191.14478	0.6
221.15495	0.7
237.15018	0.9
251.20197	2.6
253.68639	0.7
295.22906	1.5
303.19769	0.9
321.20779	15.0
322.21170	1.4
339.21829	44.9
340.22156	5.8
383.13940	3.5
383.20856	100.0
384.21167	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	383.1487
Annotation	Schizandrin C
Peak:m/z	Relative Intensity
50.55072	7.2
52.95425	5.7
59.01262	57.2
61.98724	20.3
70.94581	16.4
71.01258	15.5
72.99197	10.0
73.02843	6.2
78.75466	7.0
78.95783	9.3
85.02846	17.6
87.00758	13.9
89.02353	14.4
93.03393	10.7
96.95885	19.7
101.02372	17.3
109.02869	6.8
111.00852	11.4
113.02351	15.1
129.01846	26.0
130.30220	7.4
135.04454	12.9
161.02388	15.9
162.09134	6.9
163.03845	6.9
168.88686	6.1
174.21602	7.3
179.03424	10.7
191.05591	100.0
250.04962	9.3
295.10452	28.1
298.69748	6.6
383.07471	13.4
383.14774	65.2
384.14529	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	383.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.4
60.46732	0.2
65.13229	0.2
71.01269	0.6
71.36716	0.4
75.00765	0.3
85.02869	0.2
87.00781	0.3
89.02377	0.3
96.96947	0.2
98.19773	0.2
119.04932	0.4
123.46039	0.3
135.04402	0.3
137.02379	1.3
138.03218	0.2
163.03951	2.3
164.04745	100.0
165.05078	4.8
169.50876	0.2
179.07108	93.1
180.07454	5.0
191.05569	0.3
323.11151	0.2
347.17270	0.4
371.89114	0.2
383.13467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1392
Annotation	DODECAMETHYLPENTASILOXANE
Peak:m/z	Relative Intensity
57.03354	0.6
58.00476	1.8
59.01268	39.2
60.01609	0.6
61.98693	0.7
67.01746	0.5
71.01272	25.6
71.24428	0.6
71.24755	0.6
72.01609	0.8
72.86366	0.4
72.99200	2.6
73.02831	1.4
74.78358	0.4
74.98998	1.1
79.86208	0.4
81.03367	0.4
83.01279	1.5
85.02843	5.5
87.00773	6.0
88.03918	0.5
89.02341	34.3
90.02693	0.5
93.03339	2.4
95.01276	2.0
96.95901	0.9
99.00785	1.1
101.02349	18.1
102.11546	0.4
102.98511	0.7
111.00786	0.4
113.02363	12.1
114.66873	0.4
115.05784	1.0
119.03421	13.6
119.04907	0.7
120.99545	0.6
127.00285	0.6
129.01877	1.1
131.03404	1.5
133.06833	1.4
134.03641	0.9
135.04465	4.0
143.03416	1.7
149.04507	1.0
161.04478	1.0
163.03920	0.7
173.04478	1.3
175.03831	0.5
177.32582	0.4
179.03441	3.2
179.05557	1.5
180.03683	0.5
189.05534	0.6
191.05586	9.0
192.04268	0.4
193.04965	0.8
203.07271	0.5
221.08354	0.5
251.10785	0.5
256.93399	0.5
261.13605	0.9
272.35806	0.5
278.12027	0.5
291.59103	0.5
295.12302	6.5
296.12753	0.6
312.78067	0.4
321.36737	0.4
327.04181	0.4
348.53860	0.5
365.12689	0.5
383.13898	100.0
383.59274	0.4
384.14441	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	383.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96353	0.4
54.58234	0.3
57.03321	0.4
57.36964	0.3
58.39740	0.3
59.01261	1.2
70.61636	1.0
71.01251	0.9
73.02858	0.6
78.95798	1.2
85.02840	6.4
87.00771	1.0
93.03349	2.2
94.03680	0.5
96.95890	1.5
96.96864	1.3
98.20206	0.5
99.04388	0.4
109.02861	0.4
111.04424	0.8
112.59938	0.4
127.03960	1.8
147.24261	0.3
171.02922	0.7
173.04535	1.2
185.41505	0.4
191.05580	100.0
192.05890	4.4
203.24287	0.4
208.93185	0.4
277.58078	0.4
291.22720	0.4
377.15488	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	383.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49725	0.2
59.01267	100.0
60.01600	1.3
69.52569	0.8
69.52999	1.0
71.01271	1.1
72.99218	0.3
73.02858	0.3
75.00761	0.3
83.01292	0.2
85.02836	0.3
87.00800	0.6
89.02325	0.4
93.03361	4.8
96.95918	0.3
101.02375	0.5
113.02358	0.6
119.04946	0.3
122.23114	0.2
129.23474	0.3
131.74979	0.2
134.17355	0.2
135.04477	0.4
137.02379	11.5
138.02710	0.3
151.03979	0.2
161.02385	0.3
163.04015	0.3
164.04669	0.3
179.03459	0.3
179.07147	0.3
191.05624	0.8
201.04039	0.7
273.15350	0.3
281.06662	2.6
323.07751	0.3
383.13217	0.3
399.93280	0.2
407.18546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.4
56.92439	0.7
57.03341	11.2
57.58643	0.8
58.34616	0.7
59.01265	4.5
67.01774	2.3
69.03337	2.3
70.60326	3.0
71.01271	5.0
72.99190	1.2
81.03358	1.2
81.79100	0.8
83.01272	2.9
83.04913	1.0
85.02840	10.4
85.57857	0.9
87.00775	49.7
88.01094	1.4
88.88119	0.8
93.03364	18.3
97.02856	1.3
99.00797	0.8
101.02371	1.8
106.17324	0.7
109.02855	1.6
111.00804	21.0
111.04420	3.1
112.01126	1.0
113.02354	1.1
119.04947	29.5
120.05311	1.3
129.01866	100.0
130.02200	2.1
133.02942	0.9
133.06871	5.1
134.03687	0.8
163.03949	20.1
164.04262	1.3
165.05505	0.8
170.66968	0.7
173.04520	10.3
185.06094	2.3
187.03973	1.0
187.07607	3.4
190.49944	0.7
191.05597	32.1
192.05922	2.1
207.63533	0.8
209.04510	2.8
219.05128	9.7
229.05171	3.7
237.06169	16.5
238.06317	0.9
245.73035	1.0
249.06253	1.2
283.83481	0.8
383.09857	9.2
383.14066	2.1
383.18948	1.7
383.60086	2.3
384.10623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	72.3
61.98712	20.0
67.39472	2.7
70.29600	11.7
70.29954	4.7
71.01270	13.3
73.02855	2.9
78.95798	4.5
85.02872	3.0
87.00776	8.0
89.02328	7.1
93.03367	7.9
96.07228	2.9
96.95924	6.5
101.02313	5.9
107.77775	2.7
113.02341	7.5
117.03373	8.3
119.03385	3.0
119.04928	5.7
120.99564	3.2
121.02867	5.7
127.00265	4.9
133.02869	6.7
134.03664	89.5
137.02364	11.6
141.16377	2.7
148.01688	3.4
149.02393	5.0
149.06013	8.3
153.07417	2.6
155.33778	3.2
160.01578	7.3
161.02263	2.9
161.06071	3.3
173.04539	6.2
175.03943	11.1
176.01144	3.8
177.01866	7.0
178.02687	3.4
191.05560	14.7
193.05043	100.0
194.05356	4.8
201.32336	3.3
221.08278	2.9
279.08731	20.8
280.09024	4.1
297.09723	5.5
375.72739	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.9
57.03337	12.2
57.42584	0.7
59.01257	3.3
60.50653	0.5
67.01775	1.4
69.03340	2.8
69.64216	3.2
71.01270	2.9
72.97758	0.5
72.99216	0.7
81.03355	0.9
83.01282	4.9
85.02843	10.2
87.00774	42.6
89.02328	0.8
93.03353	7.1
97.02849	0.8
99.00771	1.3
101.02348	1.6
102.98524	1.1
108.02087	0.5
109.02837	1.2
111.00789	25.8
111.04434	1.1
113.02346	0.7
119.04944	30.7
120.05295	1.7
129.01862	100.0
130.02196	2.3
135.04422	0.7
141.01897	1.0
143.04965	1.1
145.02937	0.7
153.01904	1.3
155.03409	0.8
161.02454	0.7
163.03960	19.3
164.04266	0.8
173.04524	4.2
177.01926	1.1
179.03569	0.5
179.61606	0.6
185.00885	1.0
185.06035	3.4
187.04054	0.9
187.07652	3.7
191.05589	16.2
199.07680	0.6
206.03207	0.6
209.04529	1.2
215.03349	0.7
219.05133	8.6
224.55251	0.6
229.05072	3.1
230.05424	0.8
237.06158	16.2
238.06557	1.0
296.07300	5.9
296.57382	1.7
377.67209	0.6
383.09827	2.1
383.19370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30168	0.4
57.03336	0.7
59.01269	5.1
60.99184	1.5
64.80711	0.4
67.01776	4.1
69.03338	1.3
69.62254	2.3
69.62659	1.0
70.31420	0.5
71.01268	5.1
72.99203	0.9
73.02824	0.7
75.48148	0.5
81.03361	1.3
83.01252	0.5
83.04940	0.8
83.17445	0.5
85.02847	8.0
87.00771	9.3
89.02357	1.9
90.62622	0.6
93.03359	31.8
94.03719	1.3
96.95912	0.8
99.00761	0.9
101.02338	2.3
105.03364	0.7
109.02840	2.3
111.04430	6.1
113.02334	1.8
115.03920	0.6
119.03411	0.7
121.02831	1.4
123.00733	0.8
124.01600	0.8
127.03934	1.5
129.01846	1.1
133.02887	4.0
133.06850	1.1
134.03592	0.7
135.04430	2.1
136.01523	0.9
136.05199	1.6
137.02344	1.1
137.06046	3.1
139.03952	1.3
143.03400	0.8
150.03174	1.9
151.03902	0.7
155.03436	1.7
161.02330	1.3
163.04005	0.7
165.01886	0.6
165.05640	1.0
168.04213	0.7
171.02930	1.0
173.04512	31.9
174.04855	1.5
177.01923	0.8
179.03439	1.1
179.07126	0.8
191.05589	100.0
192.05923	4.8
193.04955	0.6
207.05229	0.6
209.04539	19.4
210.04877	1.3
215.05424	0.5
351.07147	1.2
383.09909	9.8
383.14133	3.5
384.10150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53048	1.2
57.03341	11.4
59.01270	6.9
71.01269	3.4
71.56178	1.3
78.95789	2.2
83.01273	7.2
85.02851	11.0
87.00803	6.3
93.03364	5.3
93.17156	1.2
96.53507	1.3
96.95905	3.6
111.00790	32.2
111.04417	1.3
118.94101	1.4
119.04944	27.9
119.30698	1.1
129.01865	100.0
130.02211	3.3
135.04411	2.1
146.93628	1.1
153.01912	1.5
159.03053	1.4
163.02682	2.3
163.03963	27.3
173.04477	3.5
175.59987	1.3
179.03421	1.8
191.05574	16.7
219.05096	6.9
323.10196	1.4
383.08105	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01605	1.2
71.01283	0.3
74.02356	0.4
93.03367	4.7
98.19830	0.6
104.34558	0.3
113.02341	0.5
137.02379	10.8
138.02686	0.4
142.05626	0.2
151.03975	0.3
159.86963	0.3
179.03395	0.4
229.14398	0.4
253.16293	0.3
281.06741	3.5
283.98508	0.3
384.24103	1.1
391.20560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.6
67.01783	0.3
70.78273	0.4
70.78648	0.4
71.01267	1.1
72.99219	0.3
73.02839	0.5
74.77484	0.2
78.95781	0.4
81.03355	0.3
83.04913	0.4
85.02843	7.6
85.03365	0.4
87.00780	2.0
89.02345	0.4
89.15751	0.2
93.03371	2.7
94.03701	0.2
98.20198	0.2
99.04424	0.3
101.02347	0.7
109.02861	0.5
111.04436	1.1
113.02351	0.4
127.03922	2.1
129.01888	0.3
133.01395	0.2
133.06526	0.4
137.02397	0.2
161.04504	0.2
171.02946	0.7
173.04517	1.6
191.05586	100.0
192.05916	4.8
200.69789	0.2
251.11417	0.5
267.10013	0.5
323.09988	0.2
383.10605	0.4
383.15704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0784
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
50.24944	0.4
55.19478	0.4
59.01268	6.8
61.98723	1.4
68.99706	0.9
71.01273	1.3
71.29893	0.9
85.02845	0.5
87.00782	0.6
89.02341	0.8
93.03332	0.5
101.02349	0.8
113.02355	1.2
119.04984	0.6
120.05349	0.4
121.02875	100.0
122.03218	3.5
138.85306	0.4
145.02890	1.1
147.04463	2.1
149.02400	1.7
161.04529	0.5
173.02374	0.6
179.05504	0.5
179.07050	0.4
180.05804	1.2
181.06560	4.6
181.61942	0.4
182.06947	0.7
191.03484	8.7
192.03816	0.4
197.02750	0.8
217.05084	0.5
225.05579	7.8
251.07184	2.9
252.07535	0.6
295.06189	10.1
296.06500	0.9
311.09305	12.2
312.09720	1.3
313.07263	17.1
314.07568	2.2
315.20776	0.4
323.09949	1.7
339.08789	16.2
340.09064	1.4
341.10880	1.2
357.06287	0.5
365.25119	0.5
383.07813	32.6
383.22794	1.8
384.08124	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	382.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01601	0.9
69.63091	2.0
72.08546	0.2
98.19753	0.3
104.68251	0.3
113.02380	0.3
114.64916	0.3
115.33810	0.3
121.03444	0.3
129.34129	0.3
168.86870	0.3
196.26324	0.4
234.53566	0.3
318.23526	0.3
322.27652	0.6
323.10220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	100.0
60.01606	1.2
61.98735	1.9
68.50768	0.7
69.48292	1.5
69.48703	5.1
71.01281	1.1
74.07213	0.7
85.02861	0.8
137.79924	0.7
150.93242	0.8
174.99249	3.6
176.66484	0.8
217.00311	14.0
295.19296	1.1
295.51080	0.8
303.23569	1.6
321.24326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02356	0.4
57.03328	0.5
59.01268	100.0
60.01613	1.1
61.98721	1.4
64.19541	0.5
65.73849	0.5
69.30679	5.5
71.01282	2.1
73.02856	0.7
78.68830	0.5
83.04905	0.7
85.02866	0.8
87.73663	0.5
98.20493	1.1
99.04443	0.6
101.02373	1.8
102.98534	1.5
112.47012	0.4
113.02357	0.8
121.08379	0.4
128.98927	0.5
133.02895	0.8
147.54996	0.5
158.47002	0.5
161.04483	1.1
174.99269	2.1
217.00320	9.9
217.02338	0.6
238.74365	0.6
247.38307	0.5
251.14867	0.5
252.72437	0.6
282.01657	0.5
290.66980	0.6
302.08890	0.5
303.23495	1.3
321.24512	0.6
337.50955	0.5
340.45877	0.5
363.23752	0.5
381.24387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2655
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
55.01763	0.6
59.01268	4.6
67.10137	0.3
69.30748	3.1
69.50499	0.3
71.95926	0.3
78.95786	1.8
79.75034	0.3
81.06984	4.3
83.04900	0.3
85.06481	1.2
95.04924	1.0
98.14106	0.3
99.29469	0.4
103.65234	0.3
105.03375	1.2
123.04462	0.7
125.06013	0.6
133.02884	7.8
135.04434	0.8
135.11739	6.1
137.09666	0.4
139.03923	0.5
152.99548	3.2
153.12781	0.4
155.14383	0.8
161.02367	0.8
163.11234	10.5
164.11586	0.6
174.99237	0.4
176.03995	0.6
177.01883	3.8
179.03448	0.4
179.10727	0.5
181.12294	3.8
182.12483	0.4
191.05568	0.4
199.13379	41.5
200.13737	3.2
207.10222	1.2
217.00302	3.5
225.11330	1.6
233.19292	0.4
277.18115	1.2
295.19202	10.6
295.22601	0.5
296.19547	1.1
309.22290	0.6
314.36713	0.5
381.26526	100.0
382.22229	0.5
382.26859	15.3
396.53021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07468	0.6
59.01258	0.8
68.02961	0.6
69.03381	0.7
71.09405	1.5
79.04763	0.5
96.21697	0.6
109.06525	1.1
118.43721	0.6
138.06798	1.0
149.06075	0.8
151.07588	1.6
152.07887	0.6
164.08354	0.7
166.37009	0.6
170.05843	5.0
215.99728	0.6
233.19040	1.4
235.20703	1.3
249.18620	0.7
251.20271	3.8
261.18744	0.9
267.19647	0.7
277.18143	84.0
277.25241	10.4
278.18484	9.5
278.25589	1.4
279.19724	26.6
280.20065	2.9
286.26434	0.6
295.19205	100.0
296.19537	10.6
321.24353	6.6
330.70886	0.7
363.25479	16.3
364.25961	2.9
364.30145	0.6
381.26550	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	381.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31078	0.2
59.01257	0.7
60.47634	0.2
66.52197	0.2
67.05252	0.2
71.04904	0.5
71.07279	0.6
78.95804	0.3
97.06500	0.3
105.03371	0.4
106.09451	0.2
119.35134	0.2
122.03640	0.2
123.04440	0.3
125.09620	0.2
127.11217	0.3
133.02899	2.1
138.06781	0.6
149.05989	0.2
150.10455	0.3
151.11244	0.8
152.99570	0.5
153.12785	3.5
154.13109	0.3
155.14363	0.6
163.11249	1.7
164.11633	0.2
165.09148	0.4
165.12802	5.2
166.13112	0.3
170.05786	2.8
177.01901	1.0
179.10751	12.4
180.11093	0.7
181.12308	36.0
182.12648	2.3
187.57220	0.2
192.11522	0.6
195.10262	2.9
196.10576	0.3
197.11830	2.5
198.08647	0.2
199.13383	100.0
200.13728	6.9
200.15613	0.2
215.12912	2.2
277.18271	0.2
306.18420	0.2
321.24582	0.3
337.21539	0.3
345.24347	0.4
363.25470	5.6
364.25684	1.0
381.20950	0.7
381.26462	5.3
382.26971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1929
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
57.03326	0.8
59.01268	1.9
71.01254	0.4
71.59274	0.5
75.91987	0.2
76.25156	0.3
78.95808	1.5
85.33439	0.3
87.04351	0.3
93.03345	0.4
96.96860	1.0
135.04454	0.4
160.01605	0.9
161.02283	0.5
162.02132	0.3
175.03960	0.9
176.04337	0.7
177.04572	0.5
191.05504	0.3
217.15930	0.5
233.09541	1.4
236.71182	0.3
237.91360	0.3
250.45450	0.3
257.19083	0.5
301.18240	0.4
319.19168	1.3
337.20270	4.0
338.20380	0.5
363.18210	8.0
364.18512	0.7
381.19263	100.0
382.19589	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	381.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07174	0.3
58.47445	0.3
59.01291	1.7
61.98733	0.4
69.27763	3.8
70.74420	0.4
78.95795	8.3
87.46183	0.4
95.04953	0.9
96.96918	0.7
105.03356	1.8
108.22770	0.4
133.02882	13.6
134.03325	0.5
135.04495	0.5
137.06013	0.5
138.06807	0.6
149.06065	0.8
150.98050	0.4
151.07646	1.6
152.99530	13.1
164.08484	0.5
170.05811	3.2
177.01900	6.8
178.02203	0.4
192.11526	1.2
199.13440	0.7
217.00388	1.1
233.19133	1.1
235.20702	0.9
249.18694	0.4
251.20233	3.5
259.17133	0.4
277.18155	72.3
278.18500	8.1
279.19708	21.7
280.20148	2.4
295.19208	100.0
296.19516	11.6
309.22260	1.9
321.24097	0.8
337.21893	0.7
345.24509	0.9
363.25497	17.9
364.25873	3.2
381.20694	6.4
381.26450	9.0
382.21182	1.7
382.26752	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39882	0.6
53.87793	0.9
55.01774	4.6
57.03348	3.2
58.00477	1.6
59.01267	26.3
60.52327	0.7
63.08718	0.6
69.03365	1.2
71.01273	41.8
72.01621	0.9
72.99191	2.2
73.02840	22.9
75.00778	2.2
83.01276	9.7
85.02847	21.9
85.99969	1.3
86.03133	0.7
87.00769	2.9
89.02333	8.4
93.03366	1.6
95.01291	2.5
95.51009	0.7
97.02859	1.9
98.20574	1.3
99.00790	8.6
101.02348	45.1
102.02717	1.0
111.00792	1.7
111.04472	0.6
113.02359	14.1
115.03941	1.0
119.03520	0.6
120.42815	0.6
125.02412	3.5
129.01871	1.4
131.03450	3.3
143.03423	1.3
149.04512	1.6
153.80583	0.7
159.02948	3.5
161.04504	16.0
173.04469	1.2
189.03925	1.0
191.05542	6.2
192.05930	1.1
220.81738	0.7
233.06721	1.9
249.13481	91.1
250.13826	5.1
293.08780	0.9
293.12296	0.8
363.09796	0.8
381.17752	100.0
382.18106	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	381.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39882	0.6
53.87793	0.9
55.01774	4.6
57.03348	3.2
58.00477	1.6
59.01267	26.3
60.52327	0.7
63.08718	0.6
69.03365	1.2
71.01273	41.8
72.01621	0.9
72.99191	2.2
73.02840	22.9
75.00778	2.2
83.01276	9.7
85.02847	21.9
85.99969	1.3
86.03133	0.7
87.00769	2.9
89.02333	8.4
93.03366	1.6
95.01291	2.5
95.51009	0.7
97.02859	1.9
98.20574	1.3
99.00790	8.6
101.02348	45.1
102.02717	1.0
111.00792	1.7
111.04472	0.6
113.02359	14.1
115.03941	1.0
119.03520	0.6
120.42815	0.6
125.02412	3.5
129.01871	1.4
131.03450	3.3
143.03423	1.3
149.04512	1.6
153.80583	0.7
159.02948	3.5
161.04504	16.0
173.04469	1.2
189.03925	1.0
191.05542	6.2
192.05930	1.1
220.81738	0.7
233.06721	1.9
249.13481	91.1
250.13826	5.1
293.08780	0.9
293.12296	0.8
363.09796	0.8
381.17752	100.0
382.18106	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	381.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	4.1
55.28823	0.3
57.03342	2.6
58.00473	1.2
59.01268	25.8
62.35630	0.4
69.03339	1.4
71.01272	44.8
71.39616	0.5
71.39945	0.5
72.01601	1.1
72.99199	2.1
73.02841	25.8
75.00767	1.7
81.03345	0.6
83.01283	10.7
84.02048	0.4
85.02846	23.5
85.06470	0.5
86.00018	1.3
86.03185	0.5
87.00781	3.7
87.08064	0.9
88.74854	0.3
89.01823	0.7
89.02343	8.4
93.03344	1.1
95.01289	2.6
97.02859	2.7
99.00785	10.3
99.04417	0.4
101.02351	52.5
102.02678	1.5
111.00831	1.8
112.24863	0.3
113.02359	19.6
114.02681	0.6
115.03925	1.5
119.03441	0.4
125.02382	3.3
126.70288	0.3
129.01846	2.0
131.03430	3.1
138.88806	0.4
140.84131	0.3
143.03433	2.0
149.04478	1.3
157.08670	0.6
159.02928	4.0
160.03302	0.4
161.04509	16.2
163.85712	0.3
168.50226	0.3
173.04468	0.6
179.05647	0.3
191.05566	3.0
192.05884	0.8
205.03583	0.8
233.04651	0.4
233.06725	2.2
249.13478	87.6
250.13815	5.2
268.01019	0.4
293.08948	0.8
293.12482	0.7
300.62854	0.4
321.15509	0.4
364.13968	0.4
381.17749	100.0
382.18109	10.2
382.21808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96175	0.4
58.69357	0.4
59.01262	1.9
59.96603	1.0
60.97396	0.7
63.35584	0.5
69.29341	4.3
74.98965	16.3
75.96116	1.5
75.98940	0.5
76.30464	0.4
87.38604	0.5
91.02110	42.9
92.02032	0.9
93.00037	19.2
141.07356	0.5
159.08420	100.0
160.08630	5.7
161.06358	11.1
177.09471	0.8
203.07375	0.9
264.08701	0.6
335.45804	0.5
365.11008	1.8
366.10815	0.5
383.12201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06196	6.2
57.03319	14.7
59.01267	86.7
61.98717	17.0
67.25814	6.0
69.03341	13.3
69.53173	55.5
71.01260	18.3
72.99197	10.1
75.00761	8.6
78.95750	8.4
85.02833	15.8
89.02365	8.8
93.03341	7.9
96.95921	11.7
99.04467	11.1
101.02338	13.3
113.02375	11.2
114.77242	6.8
152.99577	8.7
161.02307	12.9
163.03946	9.9
173.04547	9.9
173.92804	7.2
183.10289	42.3
187.42226	7.9
191.05522	18.2
201.26556	6.6
227.13930	6.8
256.64731	7.7
327.80563	6.7
337.20285	37.7
381.13785	14.2
381.19290	100.0
382.19522	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	381.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	2.5
57.03342	2.9
58.00480	0.8
59.01268	27.7
62.90193	0.7
67.01781	1.8
67.04576	0.7
68.99704	2.2
69.03341	3.0
71.01272	27.5
71.59961	0.6
72.99204	8.0
73.02840	5.6
75.00769	36.8
76.01070	0.7
81.03349	1.3
83.01294	3.1
84.02054	0.8
85.02848	26.5
87.00780	9.5
89.02345	5.7
91.03895	0.8
93.03361	7.0
95.01289	5.8
96.95943	1.5
97.02831	1.1
99.00784	12.7
99.04433	1.0
101.02344	9.2
101.55547	0.8
103.00313	1.7
104.15675	0.7
108.36664	0.7
109.02874	1.6
109.34611	0.6
111.00838	1.7
111.04436	1.9
112.01578	0.8
113.02361	26.8
114.02668	1.1
115.00302	3.2
115.04021	0.7
117.01897	2.5
119.04929	1.6
121.02858	1.6
125.02351	0.8
127.00302	1.2
129.01845	2.3
131.07074	100.0
132.07414	2.8
133.02896	1.3
134.03638	0.8
135.04446	3.4
136.05202	1.6
139.00299	1.2
148.01610	2.7
153.05545	2.2
157.01395	1.3
159.02985	1.1
160.58847	0.7
161.02499	0.9
161.04498	2.8
161.05850	1.0
163.03952	7.1
173.04506	3.7
175.02437	2.7
178.68228	0.6
179.03448	2.8
189.03957	0.8
191.05618	15.1
205.05092	1.5
231.05095	4.7
249.06209	44.6
249.13423	11.2
250.06593	2.6
266.09030	0.7
331.34683	0.8
337.20297	2.7
363.12823	1.3
381.14047	61.0
381.18414	11.3
382.14386	6.0
382.18594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72571	0.4
57.03324	0.4
59.01036	0.5
59.01270	4.7
65.35618	0.4
66.39922	0.4
69.03322	0.6
69.55760	3.5
71.01275	1.4
72.99192	0.5
73.02824	0.6
75.00758	0.6
78.95786	1.1
85.02847	0.6
87.00783	1.2
89.02354	0.6
89.03862	1.3
93.03358	0.7
96.96855	1.0
101.02340	0.8
104.02562	0.4
105.03362	2.6
110.30585	0.5
113.02325	0.5
127.00285	2.1
133.01884	0.5
133.02890	8.2
137.02475	0.6
148.01584	0.6
149.02365	1.4
156.27583	0.4
161.02341	0.5
161.04478	0.5
163.03986	1.0
173.04523	0.8
176.01135	1.6
177.01900	100.0
178.02246	5.0
189.01994	0.5
191.05574	1.9
251.10612	1.4
280.99527	0.5
381.08325	10.2
381.12903	0.7
381.17633	1.7
382.08899	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	381.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62091	0.3
59.01265	4.3
61.98699	0.4
67.01772	0.3
71.01270	0.9
71.56347	0.3
71.56727	0.3
72.99193	0.4
73.02817	0.5
74.63036	0.3
77.41504	0.3
78.95806	1.0
81.03342	0.3
85.02831	1.0
87.00768	0.9
87.48129	0.3
89.02329	0.6
89.03868	1.5
93.03366	1.2
96.96854	0.4
101.02364	0.5
103.43394	0.3
104.02572	0.3
105.03371	2.9
119.04950	0.6
121.02894	0.5
126.13099	0.3
129.01868	0.6
133.02884	7.0
133.03831	0.6
135.04457	0.5
148.01579	0.6
149.02368	0.8
161.02379	0.3
163.03967	0.9
173.04529	0.8
176.01199	1.6
177.01900	100.0
178.02243	5.3
179.03464	0.4
191.05569	3.3
192.05968	0.3
251.10602	1.0
286.74554	0.3
346.28036	0.4
381.08368	9.2
381.13010	0.7
381.17813	0.9
382.08652	1.1
400.97583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01609	1.0
60.44440	0.8
71.38970	1.1
102.11866	0.7
110.96854	1.0
195.96016	0.8
217.00342	4.0
248.83347	0.8
272.27542	0.8
320.26260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22020	1.8
59.01263	9.6
61.78424	1.7
63.78477	1.8
64.60015	1.6
69.03342	3.4
69.55406	13.2
98.20553	2.3
256.31876	2.0
319.22864	100.0
320.23102	12.6
371.18454	1.9
377.39767	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2498
Annotation	Pacificin H
Peak:m/z	Relative Intensity
50.42317	1.3
58.01137	1.3
59.01272	16.9
61.98708	3.4
67.63204	1.4
70.27488	6.3
75.15476	1.3
78.55653	1.4
83.04914	6.5
85.06472	2.0
87.00755	1.6
99.04440	1.8
135.16806	1.4
158.59126	1.4
273.22250	15.9
275.23813	5.3
319.22852	100.0
320.23196	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	379.2498
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
52.49868	0.5
59.01267	100.0
60.01624	0.9
61.98722	0.9
64.69871	0.6
70.42176	0.4
70.61784	0.5
71.37912	0.8
96.95932	0.9
98.03639	0.6
103.26036	0.6
109.06512	0.9
114.16043	0.5
189.62466	0.5
319.22955	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2498
Annotation	Pacificin H
Peak:m/z	Relative Intensity
57.03331	1.5
59.01265	7.0
69.03345	8.6
69.95010	0.5
70.93337	1.1
71.04906	1.2
71.87656	0.6
96.95893	0.7
99.04414	1.8
101.02362	0.8
105.15150	0.5
125.02359	0.6
275.23834	1.6
319.22849	100.0
320.23190	15.0
374.50531	0.6
379.25061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.3
59.01265	100.0
59.98408	8.6
60.01621	1.2
61.47903	0.8
66.85662	0.8
67.63942	0.8
69.03338	2.0
71.01230	0.8
71.04923	1.1
85.02830	1.6
91.97555	0.8
98.03593	1.5
99.04428	1.7
133.02811	1.1
135.04420	0.9
151.11092	0.8
152.99628	1.0
154.91380	0.8
161.02428	0.9
197.19397	0.9
273.22290	1.1
275.23752	1.1
292.80328	0.9
293.24963	10.0
294.25415	0.9
301.21851	1.0
319.22836	46.6
320.23163	5.8
335.25986	28.0
335.29843	1.8
336.26288	3.6
337.23975	5.5
338.41806	0.8
379.24991	48.3
380.25421	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11722	0.3
59.01265	100.0
60.01599	1.1
70.32562	0.4
70.32921	1.5
74.55356	0.4
74.60474	0.3
75.69648	0.4
82.49972	0.3
83.04905	0.4
88.14593	0.4
99.40724	0.4
107.90173	0.3
133.02933	1.0
135.04454	1.2
160.01707	0.4
161.02382	3.7
179.03488	1.3
179.99184	0.3
191.05666	0.4
217.10895	0.4
223.94724	0.4
273.18777	0.4
299.02081	0.4
319.22949	0.5
362.89572	0.4
379.10342	0.5
379.17764	0.8
379.21732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18583	5.3
52.19411	5.1
59.01268	62.1
59.17916	5.3
71.01260	9.0
71.53026	5.4
71.75589	4.9
72.66199	5.3
74.98423	5.5
82.09036	5.6
82.20759	5.0
83.01250	6.3
84.95572	5.0
87.00758	8.6
96.95912	100.0
98.42876	5.4
102.98497	35.1
113.02335	7.6
138.99242	5.5
152.99681	6.9
206.98114	5.5
229.17862	6.0
293.35034	5.8
319.22827	6.6
341.23306	9.5
379.11270	5.9
379.17148	8.0
379.21588	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01607	1.3
60.13794	0.3
61.68530	0.4
61.98691	0.4
69.39755	3.6
71.01270	0.8
72.65565	0.3
85.02864	0.4
96.95947	0.5
98.19816	0.6
99.00879	0.3
113.02366	0.4
124.01632	0.6
137.02435	0.5
153.05643	0.3
156.22752	0.3
160.01654	1.0
161.02336	0.4
175.04042	0.7
176.04317	0.4
191.05534	0.5
203.07010	0.3
313.77332	0.4
379.10458	0.4
379.21674	0.8
400.82208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48175	0.2
54.75685	0.2
59.01265	100.0
60.01609	0.7
60.19983	0.2
69.31139	2.3
78.95790	0.3
98.19833	0.4
117.58445	0.2
118.09512	0.2
123.95243	0.2
168.27988	0.3
189.92731	0.2
212.39084	0.2
213.78709	0.2
277.16589	0.3
379.21725	0.3
395.63818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1984
Annotation	JBIR-57
Peak:m/z	Relative Intensity
52.22836	0.5
54.22070	0.5
55.01766	1.4
57.03341	16.0
59.01267	31.1
64.14234	0.4
67.18388	0.4
69.03350	2.4
69.42285	4.7
71.01272	14.5
72.99191	1.5
73.02830	3.3
75.00764	0.7
80.20406	0.6
81.03364	0.5
83.01292	2.5
85.02847	5.8
87.00792	1.4
89.02346	5.0
93.03364	1.7
95.01278	1.6
98.20567	1.2
99.00772	1.4
99.04424	11.0
101.02354	11.4
113.02356	3.6
119.03413	1.5
125.02378	4.1
127.11224	5.5
134.07182	0.5
137.02289	0.7
144.18343	0.5
161.04521	0.8
166.23404	0.6
169.12285	0.8
171.10239	1.7
173.04538	0.8
181.12282	1.2
185.00821	0.9
191.05600	1.9
192.14342	0.5
199.13290	3.1
217.14456	26.5
218.14763	1.3
233.06673	1.5
235.11922	4.2
361.10294	0.9
361.18805	1.6
379.19839	100.0
380.20200	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	379.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.2
57.03341	1.0
59.01263	3.2
62.79956	0.2
67.01784	1.4
68.99699	0.9
69.03360	0.6
69.28899	2.7
71.01271	3.3
72.99209	0.4
83.01283	1.0
85.02850	6.0
86.00019	0.4
87.00786	1.9
89.02348	0.6
91.03866	0.4
93.03323	0.3
95.01300	1.6
98.20539	0.6
99.00777	0.3
100.01601	0.2
101.02329	0.4
111.00807	1.6
113.02361	5.0
115.07568	100.0
116.07913	3.4
129.01846	0.7
139.00320	0.9
157.01390	0.5
173.04514	0.3
189.04008	0.3
191.05673	0.3
205.07179	1.5
231.05222	0.5
249.68399	0.2
263.07779	5.4
281.08948	0.7
319.17676	0.4
347.13577	0.8
379.16171	29.2
380.16501	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	379.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01597	1.0
71.01273	3.9
73.02837	1.6
76.10076	0.3
78.95805	1.4
83.01302	0.5
85.02838	2.3
85.03285	0.3
87.00768	0.3
89.02351	0.4
96.96879	1.3
98.19775	0.8
99.00789	0.8
99.08088	0.6
101.02347	2.9
107.86457	0.3
111.00845	0.4
113.02370	2.4
121.43957	0.3
123.44849	0.3
127.11172	0.7
133.02786	0.4
135.04428	2.3
136.04770	0.5
139.00285	0.3
143.03459	0.6
157.12297	3.3
159.02939	0.8
161.02396	1.4
161.04491	5.2
162.02786	0.3
179.03473	1.4
180.03793	0.4
233.09549	0.9
243.03181	0.6
249.09047	1.0
255.03021	0.7
256.03549	0.5
271.02512	1.6
272.02933	1.1
300.02878	2.1
301.03278	2.0
302.03864	0.4
319.17841	1.2
361.05743	1.6
378.58008	3.5
379.08096	1.0
379.17917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.3
57.03339	84.5
58.03667	2.0
58.73365	1.1
59.01267	94.6
69.03345	5.7
71.01275	14.3
71.57850	1.8
71.58213	1.2
72.99171	1.4
73.02846	7.0
78.95793	1.6
83.01295	4.0
85.02867	5.7
87.00788	2.2
89.02356	5.2
93.03345	1.5
96.95889	1.2
96.96859	2.0
97.02839	2.1
99.00778	2.2
99.04424	100.0
100.04743	3.0
101.02347	27.4
109.02806	1.7
111.00784	2.4
113.02356	6.6
121.06499	1.2
123.26739	1.2
125.02374	30.4
126.02718	1.5
126.53618	1.1
129.01871	1.5
135.04463	1.3
137.27710	1.2
143.03416	2.5
155.10750	2.0
161.04459	5.4
185.00891	2.0
191.05547	2.6
235.11896	18.6
236.12239	1.9
277.12997	3.5
296.32172	1.1
317.16016	1.1
319.14178	1.4
335.18692	2.8
379.11240	2.2
379.16684	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	379.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.7
57.03341	100.0
58.00488	0.7
58.03685	2.1
59.01268	89.2
69.03347	2.8
70.61063	2.1
71.01273	18.2
71.04898	1.1
72.99230	1.2
73.02834	8.2
73.69453	0.7
75.00772	1.8
81.03368	2.3
83.01279	4.2
85.02843	11.0
85.03283	0.9
87.00805	2.6
89.02346	6.0
93.03385	2.4
95.01312	1.5
96.95930	0.8
97.02857	0.8
97.06581	0.8
99.00815	3.1
99.04424	82.3
100.04771	2.5
101.02352	38.3
102.02688	0.9
111.04484	0.9
113.02356	7.6
119.03387	1.4
125.02375	18.7
125.03243	1.7
127.11291	0.9
129.01917	1.1
134.03618	0.7
143.03433	1.8
153.09044	1.0
155.10703	0.9
159.02989	1.2
161.04521	6.2
173.04584	1.1
175.53622	1.2
185.00882	0.8
191.05580	5.7
199.09843	2.5
199.13448	3.2
203.12897	1.8
217.10863	3.1
217.14507	3.7
233.06665	1.1
235.11899	35.9
236.12335	1.9
277.13147	5.0
317.16193	1.8
361.10535	1.3
379.16226	15.4
379.20041	19.8
380.16315	1.6
380.20319	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	379.1618
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01767	1.3
55.10111	0.4
57.03333	1.6
58.00480	3.5
59.01263	83.3
60.01602	0.9
69.03334	1.5
69.64423	0.5
71.01270	67.8
72.01607	1.2
72.99192	4.8
73.02834	15.6
75.00788	0.8
76.47243	0.5
83.01287	2.8
83.04904	0.9
83.26817	0.5
85.02839	10.2
86.08231	0.6
87.00771	3.9
89.02335	100.0
90.02685	1.9
93.03371	1.7
95.01286	2.6
96.95904	0.7
96.96875	0.7
97.02850	1.6
99.00780	24.5
99.04443	2.5
101.02345	43.9
102.02708	1.2
113.02352	19.2
115.03905	1.2
119.03422	20.4
119.04813	0.9
125.02354	4.8
127.11222	0.6
131.03423	14.4
133.02892	1.4
137.09641	1.7
143.03455	3.9
149.04492	47.9
150.04790	0.9
155.10742	4.8
161.04498	6.8
173.04478	0.8
179.03470	0.5
179.03828	0.7
179.05562	12.4
185.00949	0.6
188.03510	1.2
188.36284	0.6
190.15112	0.6
191.05577	19.3
192.05823	0.9
194.92915	0.5
199.09767	6.7
212.25345	0.5
217.10808	3.1
221.06659	2.4
233.06697	1.2
247.11876	5.2
249.08980	0.6
251.07745	4.9
293.08893	0.8
379.16153	63.5
380.16537	6.4
388.06635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.3
57.03324	1.5
58.00476	2.1
59.01266	50.9
61.90701	0.6
69.03342	2.5
71.01270	29.7
71.58122	0.8
72.99203	3.1
73.02824	3.9
78.95786	0.8
81.77191	0.5
83.01281	2.6
83.04910	2.7
85.02845	6.9
87.00774	1.6
89.02340	26.2
93.03326	0.8
95.01265	2.0
97.02818	0.8
99.00780	3.0
99.04427	0.7
99.23263	0.5
101.02345	22.4
109.06522	0.7
113.02367	10.5
115.03894	0.9
119.03415	10.7
121.02846	2.1
131.03452	2.8
137.09650	6.5
143.03439	2.0
149.04480	5.0
155.10724	19.6
155.12009	1.0
156.11081	1.2
157.08678	0.7
158.64044	0.6
161.04512	4.2
173.11722	0.6
179.05516	1.8
181.08572	3.0
191.05542	2.8
199.09734	36.3
200.10062	3.0
217.10800	5.4
231.21439	0.7
247.11903	8.0
301.51190	0.6
361.15115	0.9
379.16168	100.0
380.16510	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	379.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.6
55.66232	0.8
57.03339	100.0
58.03677	2.5
59.01267	98.0
67.01751	1.4
69.03344	12.4
70.98096	1.9
71.01270	18.2
72.99208	1.8
73.02837	7.8
75.00790	1.2
77.66836	0.9
78.95802	2.3
83.01276	5.7
83.04914	1.3
84.39204	0.9
85.02849	9.6
87.00781	4.0
89.02341	3.0
91.03934	1.4
93.03373	9.6
96.95895	1.0
97.02853	5.1
97.06511	1.0
99.00784	6.3
99.04420	82.7
100.04757	2.4
101.02350	37.6
101.03014	1.9
111.00759	2.0
111.04437	3.2
113.02370	9.2
123.08109	1.2
125.02370	24.9
125.09653	3.6
129.01871	1.6
129.05487	1.7
133.02884	1.7
135.04440	3.2
137.02332	1.2
139.03900	0.9
141.01901	2.0
141.10159	0.9
143.03419	3.5
161.02351	2.8
161.04514	6.0
173.04524	31.5
179.03336	1.0
185.00888	4.5
186.92110	1.1
187.09709	8.5
191.05635	1.4
201.04015	7.3
201.11290	4.1
209.11826	7.4
217.03549	19.9
235.08324	1.3
235.11903	32.5
236.12361	1.3
243.05183	2.8
249.06204	2.3
267.07520	1.0
271.11310	1.1
277.12918	3.7
335.07822	4.3
335.18713	4.0
379.12073	2.3
379.17154	9.9
380.12506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70519	0.3
52.64256	0.3
53.77098	0.3
57.03331	0.6
59.01265	25.7
65.00213	0.7
69.03347	0.6
70.41097	1.5
71.01273	3.5
72.99191	0.8
73.02839	0.9
73.45844	0.3
75.00761	2.0
75.62983	0.4
78.95783	0.7
83.01268	0.6
85.02836	3.0
87.00783	1.0
88.76240	0.4
89.02330	0.4
92.68398	0.4
93.03373	0.6
95.01295	1.3
97.02849	0.8
98.20518	0.4
99.00797	2.3
99.04379	0.4
101.02335	1.2
105.03389	0.6
108.02083	0.4
109.02880	0.8
111.00810	1.5
113.02355	3.1
117.03378	0.6
120.99566	0.4
123.00773	2.3
123.04454	0.7
125.02363	0.5
125.30877	0.3
129.09128	13.0
130.61043	0.4
132.02094	21.6
133.02927	3.7
134.03664	17.6
135.04167	0.7
136.01576	0.6
136.98732	0.5
137.02361	0.9
139.00316	1.6
139.03918	0.9
141.01897	0.4
145.02899	0.5
147.04495	0.9
149.02361	0.6
149.06026	4.5
151.00272	1.7
151.03949	0.4
159.04478	0.6
160.01602	87.2
161.01962	5.0
161.04509	0.9
164.98225	0.5
165.98949	0.6
166.99811	1.3
171.04439	0.7
173.02412	0.5
174.03238	0.9
175.03958	100.0
176.04295	5.4
177.01857	1.3
178.02696	1.4
178.99818	1.1
179.03256	0.5
185.02469	0.4
187.00331	0.4
187.03990	0.7
189.05614	0.4
193.05029	26.1
194.05383	1.4
194.99323	0.5
200.04811	0.6
202.02698	1.2
208.00092	0.5
215.03468	1.1
215.07141	0.6
217.01572	0.4
217.05023	1.6
231.04924	0.5
243.02953	1.6
246.45903	0.4
247.06018	0.4
249.06178	1.9
259.06125	0.4
271.02524	2.0
277.07269	0.5
287.02045	1.2
289.11392	0.4
299.01913	0.5
300.03403	0.4
315.01743	1.8
316.02081	0.6
319.08218	1.4
329.02924	0.8
335.18558	0.6
347.04199	5.5
348.04633	0.6
361.15591	0.5
364.08072	1.1
379.10391	33.0
379.16425	9.0
380.10788	3.0
380.16150	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	9.6
71.01267	1.2
71.37016	0.6
71.37353	0.5
73.02847	0.5
80.71504	0.3
85.02855	0.6
112.96341	0.3
113.02369	0.4
123.36223	0.4
132.02098	18.5
133.02922	2.3
134.03668	16.3
135.04033	0.5
136.01591	0.6
137.02454	0.6
147.04387	0.8
148.46971	0.4
149.06033	5.1
151.03943	0.8
155.03430	0.4
160.01607	78.4
161.01947	3.7
162.03241	0.4
173.06105	0.4
174.03110	0.5
175.03963	100.0
176.04300	6.0
177.01909	0.8
178.02661	1.1
189.05534	0.5
190.06287	0.5
191.07050	0.7
193.05038	25.1
194.05363	1.6
202.02740	0.9
217.05063	2.8
225.05261	0.4
233.08145	0.7
259.06229	0.4
293.21307	0.3
319.08319	1.3
364.08032	1.6
379.10406	37.6
380.10785	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	379.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53632	0.6
59.01265	16.1
69.03346	0.7
70.22153	0.5
71.01262	2.3
71.59441	1.0
83.01288	0.7
85.02871	0.9
91.86003	0.5
93.03386	0.9
97.06506	0.8
97.97810	0.5
103.76067	0.6
108.02100	0.8
113.02354	1.4
117.03356	0.7
119.04917	0.8
125.02374	0.7
132.02098	19.9
133.02963	3.5
134.03667	17.2
137.02330	0.6
145.02864	1.1
149.06050	4.9
160.01613	89.5
161.01939	4.2
175.03969	100.0
176.04317	5.6
177.01938	0.7
178.02740	1.1
179.03493	0.8
187.79083	0.6
191.05577	1.5
193.05043	25.1
194.05339	1.3
202.02663	0.9
217.05058	2.1
233.08238	0.7
235.06195	0.9
247.06111	1.0
299.32956	0.6
319.08414	1.4
319.22778	1.1
364.07941	1.3
379.10452	31.7
379.21387	1.0
380.10663	3.2
399.78873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67987	0.5
51.81127	0.6
55.01776	4.0
59.01265	5.7
67.01764	0.8
69.03345	100.0
69.36546	4.1
69.36951	1.8
70.03680	1.8
71.01281	2.9
72.99189	1.9
79.01369	0.6
79.01789	2.0
82.17081	0.6
85.02849	2.2
87.00768	0.6
89.02368	0.7
93.03378	1.3
95.01294	2.5
97.02855	19.6
98.19852	1.4
99.00784	25.6
99.04419	0.9
101.02341	0.8
107.52762	0.5
113.02381	1.1
113.68009	0.6
123.00823	1.1
125.09632	0.7
134.03653	6.4
141.01872	7.8
161.02420	0.8
173.01102	0.6
173.04535	2.1
178.02695	0.9
185.00888	41.3
186.01233	2.6
191.05621	0.9
193.05042	4.8
203.01978	0.7
217.03589	1.3
230.01802	0.9
257.84436	0.6
379.06821	3.9
379.20114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	11.8
69.03334	0.6
70.90146	1.1
71.01276	1.2
85.02848	0.6
93.47220	0.4
96.95886	0.7
97.06482	0.3
98.20423	0.4
101.02321	0.6
105.03386	0.6
111.58195	0.3
113.02363	0.7
117.03399	0.8
123.04453	0.5
125.02383	0.5
132.02101	21.2
133.02954	2.7
134.03673	17.6
135.04047	0.6
137.02293	0.5
147.04388	0.5
149.06026	4.6
151.03934	0.6
151.47032	0.3
160.01613	91.9
161.01913	3.6
162.03117	0.4
174.03215	0.8
175.03966	100.0
176.04320	6.3
177.01932	0.7
178.02689	1.7
189.05385	0.4
191.07095	0.5
192.76567	0.4
193.05037	24.2
194.05368	1.5
200.04778	0.5
202.02753	0.7
217.05077	2.2
233.08295	0.7
236.11609	0.3
247.06096	0.5
259.06198	0.4
319.08301	1.0
364.08072	1.4
379.10437	34.7
380.10745	3.9
384.58450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2343
Annotation	16-Hydroxybacchasalicylic acid-15-O-acetate
Peak:m/z	Relative Intensity
59.01265	100.0
60.01596	2.1
61.98722	5.0
65.85155	1.1
71.59412	1.6
71.59823	1.4
73.08078	1.0
96.95844	1.4
116.32743	1.0
121.06479	1.1
134.24667	1.3
161.02412	1.2
167.59109	0.9
193.15981	1.5
219.97827	2.0
305.72159	1.2
317.21329	1.7
377.25006	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	7.6
64.84052	1.2
68.01295	1.5
71.57969	1.1
71.58366	1.9
78.95795	85.4
79.04893	1.0
96.96867	63.3
115.07584	1.9
121.78914	1.2
144.04477	9.5
145.05078	1.2
156.24054	1.0
198.04416	1.2
233.09497	100.0
234.09784	9.7
249.08954	3.1
265.08484	1.2
378.18994	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	6.8
60.01604	0.6
61.98717	100.0
70.74170	1.5
72.76955	0.6
78.95818	0.8
97.50911	0.5
97.72527	0.7
109.87556	0.6
161.02425	2.6
171.28699	0.6
291.19580	1.3
312.18436	0.6
315.16092	10.4
316.16483	0.8
319.22815	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	377.2341
Annotation	Melissoidesin M
Peak:m/z	Relative Intensity
52.99633	4.4
57.96975	4.1
59.01263	98.8
69.29398	44.6
100.68065	4.5
105.95783	4.1
109.06472	6.0
110.44174	4.5
163.11139	12.0
195.66130	4.9
229.67734	5.3
264.98947	4.4
265.50146	4.7
273.22220	39.4
317.21310	100.0
318.21533	10.4
377.23389	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	377.2342
Annotation	Melissoidesin M
Peak:m/z	Relative Intensity
59.01267	30.6
60.33070	2.2
61.68397	2.1
61.98740	12.2
70.27767	3.2
70.28107	9.9
72.38708	2.4
80.96369	2.7
98.29446	2.2
106.40105	2.3
152.29106	2.3
166.49138	3.1
219.97787	3.5
256.36578	2.3
296.42484	3.2
317.21301	100.0
318.21619	13.7
341.10895	7.1
377.08630	3.5
377.23389	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	377.2343
Annotation	16-Hydroxybacchasalicylic acid-15-O-acetate
Peak:m/z	Relative Intensity
51.14395	0.6
59.01266	100.0
59.75259	0.4
60.01602	1.5
61.98722	3.2
62.38147	0.5
69.97221	0.5
71.39328	1.2
73.15997	0.5
78.47014	0.5
178.50362	0.5
209.56158	0.5
219.97859	1.7
227.80942	0.6
276.05466	0.5
297.27762	0.5
317.21445	1.3
333.91168	0.5
341.11133	0.8
377.08701	0.7
377.23898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2343
Annotation	Melissoidesin M
Peak:m/z	Relative Intensity
57.03342	2.7
59.01269	91.2
59.46339	1.6
61.98726	12.3
71.60561	2.2
71.60967	2.2
77.90189	1.7
82.69832	1.8
88.17909	2.0
99.04435	2.9
123.08095	2.4
219.97742	4.8
273.22372	2.2
299.20081	5.5
317.21301	100.0
318.21671	14.8
341.11096	3.1
377.23697	11.5
395.19733	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	377.2341
Annotation	Asbestinin-26
Peak:m/z	Relative Intensity
57.03341	0.7
59.01266	42.3
59.85672	0.6
61.98707	1.8
69.03340	2.4
71.57471	0.8
72.04379	0.6
73.79458	0.6
79.02828	0.5
83.04921	4.1
96.95905	1.4
98.30285	0.5
99.03809	1.1
99.04414	12.6
123.08041	1.2
149.09663	0.6
154.25278	0.6
167.10745	1.0
174.01860	0.6
193.12280	0.8
226.78807	0.7
251.16510	0.8
273.22281	0.7
277.18115	2.8
317.21301	6.0
318.21420	0.7
335.22318	9.3
336.22659	1.7
377.23428	100.0
378.23767	12.8
402.98404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2341
Annotation	Melissoidesin M
Peak:m/z	Relative Intensity
59.01262	29.8
61.02809	1.7
61.87299	2.0
61.98732	3.3
69.03308	1.9
69.96146	6.1
69.96562	4.2
71.01289	2.5
91.31624	2.3
93.38158	1.9
95.04930	3.0
97.71307	2.0
98.20525	4.1
133.03310	2.1
153.11258	2.0
177.65404	1.9
195.13832	9.3
232.32639	2.1
257.19171	2.7
273.22321	25.8
274.22754	2.3
277.21838	6.5
278.11215	3.1
295.22824	47.4
296.23138	6.3
317.21210	100.0
318.21643	14.0
361.19998	2.8
377.08661	2.4
377.22794	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	377.2319
Annotation	Melissoidesin M
Peak:m/z	Relative Intensity
51.86147	0.5
57.03333	0.8
59.01264	19.7
65.31985	0.6
70.03011	1.2
70.03412	2.6
95.04924	7.1
99.04433	1.3
113.09643	2.8
146.52829	0.6
171.10272	0.8
195.13893	17.5
196.14194	1.4
217.12096	1.2
246.12415	1.4
249.11096	0.8
249.22226	0.8
251.23878	0.7
273.22095	0.8
277.21768	17.2
278.11377	6.2
278.22144	2.2
279.11896	1.0
281.13989	0.9
287.65903	0.6
295.22845	100.0
296.23181	11.8
299.19946	1.0
315.19489	1.4
317.21060	56.5
318.21414	6.5
334.16986	0.7
338.12241	0.9
356.21658	0.6
361.20007	6.1
362.20529	1.1
377.22867	12.3
378.22891	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	377.232
Annotation	Epoxyisolinearol
Peak:m/z	Relative Intensity
52.51661	0.8
57.03346	0.9
58.71407	0.7
59.01265	35.3
61.98721	3.4
70.19238	4.0
71.01228	0.8
95.04916	0.8
103.01904	0.9
123.08022	1.1
125.09623	1.3
127.11171	1.0
151.11203	1.7
171.10228	36.4
172.10541	2.1
191.07007	1.4
209.07953	1.1
233.22798	1.3
249.22281	1.2
273.96921	0.9
277.21780	40.4
278.22125	5.2
293.88373	0.9
295.22852	100.0
296.23230	12.2
314.22256	0.7
317.21042	30.8
318.21341	3.9
335.20773	1.2
361.20135	5.4
377.23087	33.4
378.23364	5.9
386.81622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.9
57.03335	1.4
58.00483	4.4
59.01265	100.0
60.01612	1.6
63.07143	0.7
68.74135	0.8
71.01269	61.8
72.01627	1.0
72.63431	0.7
72.99204	6.8
73.02832	2.4
83.01278	2.8
85.02840	11.8
87.00786	2.8
89.02336	66.5
90.02649	0.8
95.01284	5.3
99.29345	1.0
101.02346	45.4
102.02706	1.0
113.02359	25.7
114.02744	0.9
118.87560	0.7
119.03413	36.6
131.03418	3.1
143.03424	4.4
149.04495	3.0
161.04526	3.3
169.15944	1.3
169.29561	0.7
179.05513	4.9
197.15474	3.4
215.16481	5.1
247.07942	0.9
276.85742	0.8
316.11395	0.9
317.21176	1.5
377.21875	70.0
378.22293	8.0
393.37891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2319
Annotation	Epoxyisolinearol
Peak:m/z	Relative Intensity
50.53756	1.1
59.01264	33.6
61.98725	1.0
67.41308	0.9
67.87117	1.0
71.58108	1.4
78.95815	1.2
88.63876	0.9
90.80535	1.0
171.08778	1.7
171.10236	29.6
172.10545	1.5
177.60225	1.0
183.10252	1.7
277.21771	33.2
278.22153	4.1
295.22845	100.0
296.23163	10.7
317.21063	3.4
377.23175	42.8
378.23547	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	377.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73526	0.4
57.47939	0.4
59.01263	100.0
59.48385	0.4
60.01602	1.0
71.01276	5.7
72.99208	0.8
76.94503	0.4
85.02873	1.4
86.22916	0.4
86.98749	0.4
87.00754	0.8
87.05536	0.4
89.02330	7.5
89.02831	0.5
93.03328	0.6
95.01295	0.6
101.02348	3.3
103.96271	0.5
113.02365	2.3
119.03407	2.7
131.03459	0.5
135.04428	0.4
139.00307	0.5
153.05536	0.5
153.09225	0.5
155.10759	1.0
161.04549	1.6
179.05577	2.0
180.95996	0.8
191.05641	1.5
255.69586	0.6
332.08582	0.5
347.11487	2.0
377.12119	0.5
377.18280	1.0
385.48523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	4.1
59.00994	1.0
59.01265	13.1
59.31384	0.7
61.32041	0.5
71.01265	1.8
71.58469	1.1
71.58839	0.7
78.95814	1.9
79.95632	2.1
81.03327	0.8
83.04915	1.8
85.02842	2.2
85.06495	0.8
87.04418	2.0
89.02350	0.9
93.03349	0.9
95.04917	2.6
96.95915	100.0
98.95493	1.6
99.04414	1.9
101.02367	1.0
107.04943	1.1
109.02856	3.1
109.06492	0.9
111.04420	2.1
111.08073	1.3
113.02361	1.0
113.05999	6.2
123.08053	0.7
135.04482	1.0
135.08031	1.5
145.76767	0.6
149.02396	1.1
149.09685	0.9
153.09183	3.5
157.04982	2.6
161.04642	0.7
167.07018	1.0
177.09135	2.8
182.21965	0.6
191.05611	2.0
215.09193	1.1
224.77074	0.8
235.13362	1.0
249.08961	1.0
253.14519	1.6
262.47247	0.8
297.13544	5.6
299.15833	0.6
333.10345	0.9
359.08139	0.9
377.09207	68.7
378.09564	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	377.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	19.2
62.24547	2.2
69.03342	3.2
70.87325	6.8
71.01271	18.2
73.02831	3.6
73.52100	2.2
78.95808	2.6
81.03358	2.3
85.02839	9.2
87.00793	3.8
87.78535	2.7
89.02344	2.9
93.03357	41.9
95.01257	2.9
97.02884	6.5
101.02368	2.5
108.02082	17.0
109.02872	29.1
111.04381	3.6
115.00296	15.3
117.03388	7.8
119.04953	50.7
121.02880	25.7
123.00803	4.7
123.04442	7.7
124.01552	12.1
125.02401	15.6
130.04175	4.3
131.04973	4.2
132.05714	4.4
132.65080	2.7
133.02901	5.3
134.03679	22.2
135.04462	6.7
137.02380	100.0
138.03127	10.2
139.03909	6.2
143.04951	10.4
145.02936	4.3
145.06523	30.2
147.04459	12.9
147.08080	6.1
149.02357	4.3
149.06104	3.2
151.03963	4.3
152.04721	6.8
156.05754	3.0
157.06543	2.8
159.04414	5.0
161.43094	3.0
162.03194	33.0
163.03963	43.7
164.04669	4.1
165.05502	3.7
168.04225	3.0
169.06538	7.0
171.08235	3.4
172.05325	3.0
173.04535	4.2
173.05984	5.6
177.05476	6.2
178.02657	3.5
183.08124	6.2
185.06035	5.3
187.07538	4.8
189.05566	4.2
191.05576	17.1
192.05864	3.3
196.03745	3.6
197.06017	3.6
199.07709	4.0
209.06090	3.1
209.09663	10.4
211.07640	6.9
213.05539	6.4
215.07129	4.5
223.07541	2.8
225.09174	6.0
226.06326	4.9
227.07118	11.3
227.10698	4.8
235.07666	6.5
237.09247	39.5
238.06491	3.1
238.09846	7.3
241.05103	5.7
242.05902	30.6
243.06641	19.6
253.08777	22.7
255.10370	39.8
265.08633	4.2
270.58554	2.7
271.09851	22.9
272.10355	3.6
326.08029	7.2
327.08749	35.5
328.09146	4.6
343.08255	7.1
359.07910	8.6
377.08820	40.4
377.18161	9.5
378.09058	4.5
388.97971	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	377.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	25.5
62.59720	1.9
65.03815	3.2
67.01778	2.4
69.03339	5.2
71.01276	26.6
71.62405	3.5
72.99202	4.4
73.02834	5.6
81.03358	3.7
83.01285	2.9
85.02838	6.7
87.00774	5.0
89.02322	4.2
93.02784	2.5
93.03362	42.0
94.03684	2.5
95.01260	3.3
95.04904	4.8
97.02840	9.2
101.02351	5.7
105.03394	2.5
108.02061	17.1
109.02878	32.0
111.00861	2.8
111.04433	5.1
113.02380	3.3
115.00313	12.9
117.02666	2.2
117.03358	11.6
119.04956	61.0
120.05260	2.6
121.02877	27.9
122.03702	3.6
123.00770	7.2
123.04437	10.3
124.01577	17.2
125.02390	17.8
130.04169	5.5
131.04924	6.5
132.05708	6.8
133.02882	9.6
133.06529	7.6
134.03679	18.7
135.04422	7.8
137.02382	100.0
138.03105	10.0
139.03912	5.6
143.04919	10.7
145.02884	4.2
145.06538	33.4
145.88147	2.2
147.04448	10.2
147.08066	4.2
148.05217	2.6
149.02409	10.5
149.05981	5.2
150.03145	8.7
151.03932	7.0
152.04716	5.2
156.05705	3.4
159.04506	5.5
159.08060	2.3
161.05952	2.9
162.03163	21.7
163.03958	49.3
164.04659	4.1
165.05466	9.9
169.06525	7.5
171.04465	3.8
173.04550	4.9
173.05977	6.0
175.03999	2.2
177.05479	3.7
178.02727	3.4
181.06616	2.4
183.08089	5.0
185.05946	4.6
187.07649	6.7
189.05569	3.1
191.05537	13.4
193.06535	3.2
195.06480	6.0
196.03700	4.5
197.06041	5.5
199.07646	5.6
209.09683	9.3
211.07594	8.6
213.05656	3.8
213.09158	2.5
215.07140	3.5
225.05402	3.9
225.09123	4.8
226.06367	6.5
227.07071	6.6
227.10938	4.8
229.08549	3.1
235.07675	9.9
237.05623	2.7
237.09270	41.1
238.06328	4.7
238.09801	7.3
241.05084	6.2
242.05881	28.8
243.06647	21.8
243.10358	3.7
253.08755	20.2
255.10301	40.0
256.10654	4.7
265.08847	3.3
270.09042	3.0
271.09863	16.2
326.07916	5.8
327.08786	37.1
328.09116	6.5
329.13892	3.5
343.08231	5.2
347.39505	2.3
359.07593	5.5
377.08804	43.6
377.18185	13.8
377.22202	3.1
378.09653	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	377.0887
Annotation	vaccihein A
Peak:m/z	Relative Intensity
53.02123	0.3
59.01268	1.6
63.02285	1.9
63.14780	0.4
65.00212	2.7
83.01278	2.4
83.57169	0.3
94.39160	0.3
95.01253	0.4
98.19766	0.7
107.01301	5.8
120.61134	0.3
120.99565	0.4
123.00787	0.6
123.04433	1.0
124.01604	1.1
125.02376	0.4
149.99477	0.4
151.00308	20.2
152.01097	5.4
156.56863	0.3
160.34778	0.3
163.00305	0.8
165.01889	0.3
167.03473	1.2
169.01347	1.1
170.03716	0.5
178.99837	9.4
180.00305	0.4
183.02977	0.4
183.04526	0.4
186.03123	0.4
192.00574	0.4
195.02928	0.8
198.03166	0.4
199.03999	0.5
203.03502	0.8
213.01959	0.4
213.05511	0.3
214.02701	0.4
215.03526	0.7
222.01674	0.3
226.02705	0.7
227.03438	1.6
229.01505	0.3
242.02220	15.9
243.02966	5.3
244.03371	0.4
254.02296	0.4
255.03052	1.1
256.03873	0.4
257.04578	1.3
258.05356	0.3
269.04584	0.5
270.01764	8.7
271.02524	24.3
272.02945	3.0
273.08179	0.3
282.01740	3.2
283.02310	1.2
284.03271	3.4
285.04123	34.0
286.04633	5.4
287.05670	0.4
298.01117	0.4
299.02042	27.9
300.02585	5.7
301.07211	0.6
313.03607	20.7
314.04355	17.6
315.05084	4.8
316.05768	0.6
317.06830	0.5
345.06235	100.0
346.06570	9.3
377.08875	25.9
377.13858	0.4
378.09326	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30037	0.2
52.37259	0.2
54.79135	0.2
57.03333	0.3
58.00492	1.2
59.01267	22.5
60.01588	0.4
69.03336	0.2
69.76991	1.2
71.01272	22.1
72.01614	0.3
72.99212	1.5
73.02836	1.2
75.00774	0.3
83.01286	0.9
85.02844	3.0
86.62759	0.2
87.00776	2.9
89.02341	38.6
90.02657	0.7
95.01303	1.1
97.02861	0.4
99.00780	1.2
101.02350	14.9
102.02673	0.3
103.38367	0.2
106.98974	0.4
107.03398	0.3
111.00793	0.5
113.02365	11.9
114.02734	0.3
117.01865	0.3
119.03423	12.9
120.03799	0.4
123.00764	0.3
125.02384	0.5
129.01865	1.3
131.03450	1.8
141.01848	1.3
143.03438	3.3
144.47612	0.2
149.04468	1.2
159.02963	1.3
161.00655	0.2
161.04510	4.6
177.03981	0.4
179.05580	19.2
180.05846	0.9
183.32567	0.2
197.00513	0.4
197.02220	3.4
199.01944	0.3
212.66008	0.2
215.01529	1.0
215.03278	20.2
216.03670	0.6
217.02974	0.3
221.06708	0.3
281.08871	0.3
321.08395	0.9
339.09357	0.8
341.10965	100.0
342.11310	7.5
342.15509	0.4
377.08658	74.4
378.09042	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	377.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.6
57.23115	0.5
57.50729	0.5
59.01261	2.6
60.33426	0.4
71.01251	1.5
71.55145	0.9
72.99179	0.5
75.00731	1.2
78.95763	1.1
79.95616	0.8
81.03349	0.5
83.04926	1.1
85.02822	0.6
87.00776	0.5
89.02316	0.7
93.03352	1.1
95.04903	0.7
96.95917	22.1
96.96878	1.7
97.78165	0.4
101.02310	0.7
107.04939	0.9
109.02852	0.9
113.02349	0.5
113.06019	0.8
129.83353	0.5
134.03616	0.9
134.66302	0.6
135.04449	100.0
136.04785	4.1
139.07594	0.6
151.03963	1.4
153.09163	0.8
157.05083	0.7
165.48557	0.5
171.40204	0.5
177.09259	0.8
179.03456	6.4
185.39928	0.5
189.12827	0.4
191.05693	1.9
227.06851	0.7
249.09120	0.6
253.14502	0.6
297.10123	4.5
297.13641	1.8
306.30338	0.6
333.10437	0.5
341.08841	16.9
342.09207	2.2
377.09558	16.7
377.14661	0.7
378.09967	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31043	0.8
57.03337	1.2
59.01269	6.1
67.01772	2.4
68.05438	0.7
69.03337	0.8
71.01270	2.6
71.08726	2.0
73.02860	0.8
81.03350	1.0
85.02846	7.9
87.00773	8.2
89.02345	1.8
93.03363	18.8
94.03687	1.2
95.01299	0.8
97.02856	1.0
101.02361	1.8
109.02855	2.6
111.04433	3.6
113.02361	1.0
117.03342	1.3
119.04910	3.9
121.02872	1.9
127.03901	2.8
131.04973	4.5
132.04448	1.6
134.03687	1.0
137.02361	2.7
141.05673	0.8
145.02888	1.0
155.03456	1.6
158.06064	4.3
163.03978	2.3
171.02985	1.9
173.04526	17.2
175.03969	1.1
176.03442	0.9
184.04016	25.3
191.05589	100.0
192.05931	4.3
194.04567	1.1
199.35712	0.8
202.05089	18.8
203.05284	1.0
212.05742	1.5
227.08366	1.5
230.06737	20.0
231.07008	1.0
237.08952	0.9
242.10533	1.9
253.08768	1.0
257.13068	8.3
257.15549	1.3
271.09787	0.9
327.09003	1.0
345.11087	1.3
365.99838	0.8
376.06177	0.7
376.10449	18.1
376.15967	0.8
376.17264	0.9
377.10110	1.3
377.18137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2549
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
55.01772	21.2
56.02102	0.5
59.01268	0.8
64.08912	0.1
67.01737	0.2
69.03345	5.8
69.72461	0.1
70.03661	0.2
70.36086	0.3
71.04905	1.0
73.02836	24.8
74.03183	0.3
82.74174	0.1
99.04402	0.2
105.42562	0.2
115.61654	0.1
118.37826	0.1
118.68932	0.2
133.87151	0.2
165.11552	0.1
165.12785	0.6
168.65033	0.1
179.17010	0.1
273.22607	0.2
275.23843	4.3
276.24255	0.3
301.21780	7.1
302.22092	0.9
319.22845	9.1
320.23117	1.1
339.02246	0.1
375.25467	100.0
376.25809	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	375.2173
Annotation	Crassocolide C
Peak:m/z	Relative Intensity
57.03347	2.8
59.01263	100.0
69.03320	2.3
69.99767	6.6
70.69621	1.4
95.04890	1.8
98.20567	2.1
99.04430	1.7
109.06505	6.4
111.04423	2.9
121.10174	11.5
135.04419	4.7
150.95168	1.7
171.10222	27.1
173.04492	2.4
176.04021	2.7
176.54205	1.9
179.03481	4.5
217.00299	5.1
231.21164	2.8
271.20728	2.3
275.20193	40.7
276.20551	2.8
278.11389	4.9
289.21756	20.4
290.21951	2.7
293.21280	38.8
294.21692	5.0
315.19614	44.6
316.20016	6.4
331.22839	5.3
346.26105	1.8
359.18683	1.9
375.21811	97.7
376.22156	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	375.2161
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
50.26118	0.4
54.46259	0.4
57.03337	1.1
59.01266	25.6
59.72563	0.3
60.01612	0.4
69.28288	2.5
69.28715	1.7
97.06494	1.3
98.19840	0.9
99.04415	0.8
123.08127	0.6
125.09650	3.9
141.12764	0.9
148.77649	0.4
149.09680	2.0
161.74863	0.4
175.07346	0.4
175.84634	0.4
185.11806	9.2
186.12143	1.0
191.00467	0.4
197.11813	2.9
209.08008	0.5
240.71812	0.4
247.20705	1.4
249.22374	0.9
261.52802	0.4
265.30014	0.5
293.21310	100.0
294.21649	10.8
315.19501	35.8
316.19894	3.8
375.21643	6.7
375.25912	0.2
376.21823	0.6
388.03754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2161
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
54.46137	1.1
57.03328	5.0
59.01268	61.9
71.48804	2.5
86.99453	1.2
97.85866	1.2
99.04439	2.7
113.09634	19.6
121.06553	2.1
121.10140	4.8
121.54025	1.4
130.61546	1.3
139.11226	1.4
151.03856	1.3
167.10733	2.9
171.10207	14.1
179.10808	2.1
195.13884	2.0
217.00310	4.6
217.12077	1.8
249.11160	1.2
249.22299	1.5
275.20212	18.2
276.20605	2.8
293.21304	100.0
294.21671	10.9
315.19473	97.7
316.19772	11.4
351.92206	1.2
375.21603	18.1
376.21841	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	375.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01600	1.0
60.75639	0.4
69.53395	3.5
71.01263	2.5
73.02843	1.0
85.02855	1.1
101.02353	2.3
113.02371	1.0
160.17673	0.4
161.04553	2.4
182.78360	0.4
205.12070	0.5
315.18207	9.6
316.18536	0.7
375.20657	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	375.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32534	0.2
55.01770	0.3
57.03334	0.3
59.01265	100.0
60.01612	1.5
61.01699	0.4
69.57370	0.6
69.57777	1.2
71.01267	3.8
73.02840	2.0
78.95813	0.9
83.01286	1.2
83.32447	0.2
85.02831	2.2
87.00776	0.3
89.02364	0.6
89.64413	0.2
96.96876	0.8
98.50409	0.3
99.00803	0.6
101.02348	3.8
103.91734	0.2
111.00710	0.2
113.02380	1.4
159.03059	0.2
161.04515	1.2
171.13893	0.3
233.09555	0.5
315.18262	0.8
333.19272	5.3
334.19754	0.3
347.40021	0.3
350.66757	0.3
376.79257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23351	0.3
57.35515	0.3
59.01265	100.0
60.01611	1.2
61.98733	0.4
71.01276	2.6
73.02832	1.1
83.01287	0.6
85.02867	1.2
89.02308	0.4
99.00755	0.4
101.02341	2.5
113.02377	1.1
150.03102	0.4
159.02980	0.4
161.04507	2.4
194.44391	0.3
194.46310	0.3
229.28773	0.4
229.31180	0.4
315.18195	8.5
315.21701	0.5
316.18640	1.1
375.20288	1.7
376.19910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.8
57.03333	0.7
58.00476	1.8
59.01266	50.4
60.01608	0.8
61.01689	0.4
69.39128	3.6
71.01272	23.1
72.99210	2.3
73.02835	1.2
76.06246	0.4
76.88172	0.4
83.01290	1.7
84.06639	0.4
84.47601	0.4
84.48174	0.4
85.02847	5.6
87.00767	0.9
89.02341	19.2
89.46941	0.4
90.02676	0.6
95.01289	2.3
99.00782	1.0
101.02353	13.5
113.02367	8.2
117.64375	0.4
119.03423	7.0
143.03419	0.5
157.74605	0.4
161.04469	0.6
183.13867	0.8
191.05646	0.4
195.13892	9.6
196.14282	0.8
213.14932	3.5
253.14963	0.5
285.88425	0.4
357.19562	0.4
375.20319	100.0
376.20709	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	375.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01600	1.0
61.52182	0.3
69.35465	0.5
69.35867	1.9
69.89458	0.3
71.01266	3.5
72.99211	0.3
73.02853	0.3
85.02857	0.5
87.00780	0.6
89.02336	4.5
90.08121	0.2
101.02370	1.5
109.63036	0.2
111.58595	0.3
113.02322	1.4
119.03414	2.0
131.95273	0.3
133.02887	0.3
143.03441	0.5
160.85922	0.2
161.02408	0.4
161.04547	0.5
179.05583	0.6
181.70712	0.3
184.64850	0.3
227.56444	0.3
303.08688	0.2
315.18179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01607	1.5
61.01668	0.3
62.59302	0.2
70.81689	0.3
71.01275	2.2
73.02843	0.9
79.63741	0.3
83.01311	0.4
85.02847	1.1
89.02354	0.7
101.02335	1.9
109.07988	0.3
113.02386	1.0
147.04494	0.5
156.15442	0.3
161.02464	0.6
161.04498	2.2
183.03046	0.7
191.05479	0.3
213.14966	0.4
222.32858	0.4
300.17145	0.3
315.18173	3.1
375.20126	0.6
377.07870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55690	0.2
55.01772	0.9
57.03347	0.8
58.00487	0.5
59.01265	100.0
59.47807	0.2
60.01604	1.5
71.01273	9.6
72.99190	0.4
73.02838	2.9
83.01273	1.5
85.02841	3.8
87.00780	0.6
88.51845	0.3
89.02324	2.4
90.42340	0.3
95.01291	0.4
96.46735	0.2
97.02864	0.3
97.46898	0.3
99.00793	1.0
101.02348	6.0
102.98449	0.3
113.02361	4.0
119.03430	0.6
129.01845	0.4
143.03461	0.5
144.97560	0.3
151.64259	0.2
159.02939	0.8
161.04507	5.4
162.04941	0.3
171.13939	0.5
179.05780	0.3
264.52771	0.3
283.36334	0.3
286.28693	0.3
315.18088	0.4
331.15649	0.2
333.19266	7.2
334.19778	0.7
342.72513	0.3
375.06982	0.3
375.14990	0.7
385.58179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74721	0.2
59.01268	100.0
60.01605	1.3
71.01274	2.9
73.02856	0.6
83.01270	0.3
85.02854	1.4
89.02361	0.9
95.01330	0.3
99.00780	0.3
101.02344	2.2
113.02364	1.3
119.03460	0.5
159.03004	0.3
161.04532	2.2
180.06953	0.2
181.10794	0.2
315.18320	1.8
361.21194	0.3
375.20529	0.5
391.99957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38710	0.2
55.01774	0.5
59.01263	100.0
59.48653	0.2
59.52337	0.2
60.00023	0.3
60.01595	1.6
61.01682	0.5
62.98421	0.2
69.58200	0.8
69.58627	0.9
69.99722	0.2
71.01277	4.6
72.99191	0.3
73.02830	1.9
78.95799	1.1
83.01275	1.1
85.02841	2.5
87.00790	0.4
89.02339	0.5
96.96887	0.8
99.00797	0.8
101.02343	4.3
103.02829	0.3
106.80714	0.2
108.86884	0.3
111.00812	0.2
112.15725	0.2
113.02348	1.7
161.04536	0.8
171.13914	0.3
210.76070	0.3
233.09518	1.0
234.10051	0.3
315.18338	0.6
333.19232	4.4
334.19626	0.6
338.91428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.3
59.01267	100.0
60.01616	1.2
69.66652	1.9
71.01270	2.0
73.02840	0.8
85.02865	0.9
88.17177	0.2
89.02341	0.7
95.01302	0.3
98.19771	0.3
99.00787	0.5
101.02344	1.3
113.02403	1.0
113.15605	0.3
118.42293	0.2
120.99645	0.2
161.04520	1.9
191.05606	0.4
217.00368	0.5
299.65430	0.3
315.18344	1.9
375.20804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.5
57.03331	1.6
58.00491	2.0
59.01268	52.4
60.01588	0.7
71.01273	36.9
71.60831	0.7
72.01602	0.5
72.99207	3.2
73.02840	4.8
75.00777	0.7
77.19273	0.3
78.95797	2.2
83.01283	4.0
84.83454	0.3
85.02844	10.5
85.52007	0.3
86.03232	0.3
87.00781	1.9
89.02342	22.9
90.02682	0.4
93.03367	0.6
95.01276	3.1
96.96889	1.0
97.02847	0.7
99.00790	2.1
101.02351	24.3
102.02669	0.5
103.77550	0.3
113.02357	15.0
114.02727	0.4
119.03428	7.0
125.02357	0.6
129.01862	0.5
131.03426	0.3
143.03438	0.6
159.02919	1.5
161.04518	6.4
173.04626	0.3
176.04076	0.3
177.12807	0.4
179.05684	0.3
183.13834	0.7
191.05605	0.8
193.31531	0.4
195.13907	10.4
196.14334	0.6
213.14977	4.7
233.09528	1.3
234.09927	0.3
354.94696	0.3
357.19028	0.5
375.20294	100.0
376.20663	11.6
376.24484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	7.3
71.57181	1.2
74.98967	2.6
110.42638	1.1
159.08427	9.5
161.06303	3.2
168.93901	1.0
209.01263	1.7
210.21318	1.1
217.07335	1.2
275.06061	1.0
277.07571	1.6
289.07538	1.5
291.09177	87.6
292.09335	12.2
309.10266	2.5
357.13950	2.5
359.15433	100.0
360.15555	17.4
375.18436	8.0
375.25656	3.9
376.18594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.6
63.16306	0.4
71.29443	0.7
74.98959	2.0
79.94737	0.3
82.89494	0.4
92.99995	1.7
130.53299	0.4
132.76454	0.4
136.34523	0.3
139.73486	0.3
149.00905	0.9
159.07158	0.6
159.08420	9.8
160.08653	0.5
161.06354	3.2
189.44856	0.4
209.01221	2.7
210.98929	0.4
217.07220	1.2
225.00784	0.4
261.04623	0.4
275.05997	0.7
277.07620	2.6
289.07614	1.9
291.09158	95.2
292.09247	12.9
309.10175	2.0
343.12558	0.4
357.13806	1.9
359.15417	100.0
360.15570	18.4
375.18542	11.3
376.18506	2.3
377.16483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00857	0.4
59.01267	23.7
63.99104	0.4
71.01273	12.3
71.60371	0.5
71.60738	0.7
80.91579	1.2
85.02850	0.4
88.92875	0.5
99.04433	0.5
99.92484	0.7
127.07560	1.5
151.07588	1.0
164.08342	0.8
174.99257	3.3
177.09142	3.8
190.09987	1.9
192.11540	8.6
193.11931	0.4
205.12343	3.0
207.13843	2.4
217.00322	11.5
217.08693	0.7
218.00597	0.6
218.09395	2.3
220.14699	40.8
221.15477	100.0
222.15829	8.7
235.13475	2.8
236.10576	97.0
237.10971	8.0
264.08578	1.0
275.16635	1.3
292.11819	0.8
293.17679	54.0
294.18024	6.7
318.09637	6.3
321.15613	2.0
335.13589	0.6
358.08670	0.7
374.99353	1.1
375.17908	15.8
376.18234	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78884	0.8
52.18120	1.0
55.01775	3.0
57.03331	3.3
58.00471	3.0
59.01267	54.0
60.01601	0.9
71.01275	44.1
72.99196	4.0
73.02839	8.5
74.95383	0.9
75.00763	1.1
83.01272	6.2
83.04939	1.0
84.56136	0.8
85.02851	17.2
87.00786	5.2
89.02342	29.8
93.03366	3.7
95.01297	2.6
96.95914	2.2
97.60251	0.9
98.20558	2.4
99.00792	4.0
101.02351	35.5
111.00770	1.4
111.04449	1.8
113.02357	14.7
119.03419	14.8
119.04900	1.5
119.33196	1.1
129.01845	1.1
137.02336	1.3
143.03436	3.2
149.02385	1.2
159.02925	1.5
161.04501	6.8
169.12303	1.9
173.04552	3.5
177.09192	9.2
178.94260	1.0
179.05577	7.1
191.05571	12.4
195.10217	1.8
197.01996	2.5
199.97783	0.9
211.07562	1.3
212.08305	4.1
213.01498	1.6
213.11241	1.5
227.06844	1.2
241.07301	3.5
255.08899	17.4
261.05725	1.2
282.27618	1.0
331.17569	1.1
357.15634	20.8
358.16006	2.3
375.06848	8.2
375.16708	100.0
376.07361	1.0
376.17062	9.7
380.86533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03056	0.4
57.03331	1.5
58.03637	0.5
59.01261	6.6
69.03355	0.7
70.29832	1.2
71.01264	1.2
71.04898	0.6
73.02827	1.3
76.29053	0.5
78.95791	0.7
79.95633	2.0
83.04920	1.4
85.02853	3.4
87.00780	1.0
93.03355	1.3
95.04926	5.4
96.95912	100.0
98.20459	0.7
99.04391	0.5
101.02353	0.8
105.44687	0.4
108.85052	0.5
109.02858	1.0
109.06518	1.0
111.04434	5.6
111.08086	1.3
113.02377	1.5
113.06003	7.1
115.03905	1.0
121.06516	1.9
121.77799	0.4
123.08075	1.5
124.05244	0.5
133.06480	0.6
135.04396	0.6
137.05995	1.8
137.09677	1.1
138.06792	0.9
139.07564	2.1
147.08084	0.9
149.09663	3.6
151.07507	0.8
155.07124	1.0
157.93173	0.5
163.11226	1.2
165.09125	2.2
171.11713	2.4
189.12825	28.1
190.13206	1.2
191.05589	1.8
207.13799	2.3
249.09042	0.6
251.12904	18.0
252.13246	1.6
291.39450	0.5
295.11929	16.8
295.50098	0.5
296.12170	1.5
348.57791	0.5
375.07620	81.2
376.07901	8.0
376.12201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84019	0.3
59.01263	100.0
60.01610	1.0
71.01270	0.5
73.02863	0.5
91.26270	0.3
93.03350	0.7
97.15572	0.2
109.25820	0.3
111.59174	0.2
121.02976	0.3
133.02911	0.8
134.03630	0.3
135.04471	2.7
136.04771	0.5
148.01604	0.4
151.87779	0.3
161.02376	3.4
162.02773	1.0
163.04010	0.4
173.04536	1.1
174.04904	0.4
174.99231	0.6
179.03494	0.6
185.73064	0.3
191.05650	1.0
207.03027	0.9
208.03334	0.3
217.00322	2.4
223.20699	0.5
244.59290	0.3
253.21829	0.9
257.05649	0.3
282.24640	0.5
287.48389	0.3
314.27060	1.4
335.07916	0.9
336.08173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72708	0.3
55.86931	0.3
56.21753	0.3
57.80234	0.3
59.01266	100.0
60.01609	1.6
61.98716	3.8
70.65784	1.3
71.01299	0.4
85.02837	0.6
93.03368	1.3
96.95918	0.4
99.43938	0.3
104.25171	0.3
111.04469	0.4
121.02907	0.8
129.89688	0.3
130.42387	0.3
133.02888	2.6
135.04459	2.7
136.04814	0.7
148.01581	0.4
161.02400	6.3
162.02731	1.6
163.04025	0.5
173.04553	1.5
174.04807	0.5
174.99243	0.9
176.04152	0.4
179.03540	1.2
191.05644	1.0
207.02950	0.8
217.00290	3.6
223.20726	0.8
226.42111	0.3
228.07336	0.4
253.21793	0.7
257.05759	0.7
257.56030	0.6
271.55621	0.8
285.20560	0.3
314.27133	1.4
335.07959	0.9
336.08145	0.8
359.65317	0.7
373.65158	0.6
374.16064	0.4
375.06891	0.5
375.22012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.6
66.03380	7.5
67.68916	0.9
70.82838	1.8
71.01274	1.6
82.02876	13.4
89.12977	0.9
94.02895	1.2
96.95967	0.9
108.04468	1.4
110.02388	63.5
111.01923	21.0
111.02691	2.4
118.96684	1.0
122.02376	4.5
124.04010	1.6
130.08664	100.0
131.09004	3.9
140.03481	8.5
148.11568	0.9
152.03459	10.1
153.02985	3.0
174.41867	1.0
179.02042	1.0
180.06735	1.1
200.05620	21.8
243.06255	87.0
244.06514	5.3
249.64584	1.0
253.70503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2393
Annotation	Corymbi-7,13E-dienolide
Peak:m/z	Relative Intensity
50.75290	0.2
55.01777	0.2
56.36038	0.2
57.03332	0.4
59.01264	2.4
65.90008	0.2
69.03344	5.9
70.06075	1.1
71.01272	24.0
71.04890	0.3
72.01597	0.4
95.04935	0.6
97.06491	0.7
99.04417	0.4
107.04918	0.2
109.06501	5.2
121.06499	0.5
123.08080	0.6
124.05231	1.0
163.11276	0.2
165.12810	0.3
185.14061	0.3
259.20862	0.3
273.22339	0.8
273.57535	0.2
275.23853	1.4
285.00995	0.2
301.21796	14.8
302.22137	1.6
311.23984	0.3
329.25009	0.6
373.23907	100.0
374.24246	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	373.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	1.4
59.00998	1.6
59.01269	21.6
60.99184	1.0
62.32929	0.9
69.25182	5.4
69.25607	4.1
71.01271	5.2
72.02045	1.1
72.99185	0.8
73.02836	13.0
80.51617	1.0
81.03344	1.9
83.01282	3.9
83.04912	1.4
93.00437	0.9
95.04929	1.5
97.02856	9.9
97.06485	1.3
99.04423	1.2
100.01560	7.1
101.02342	2.5
107.04957	2.1
109.02855	2.5
111.08072	1.0
113.02272	0.9
121.02882	1.0
121.06507	1.6
122.03670	2.1
123.04454	0.9
123.08070	0.9
127.07560	0.9
128.04739	1.1
133.10100	1.3
135.08067	2.0
137.06033	1.1
141.01891	8.5
147.08075	1.0
159.08142	2.3
161.06017	1.2
161.09709	3.6
163.11227	1.2
164.07138	2.8
165.05559	1.2
165.12904	1.0
169.08676	6.8
171.08141	3.0
173.09708	3.4
175.07632	1.0
175.11237	2.9
177.09164	1.4
185.06033	1.0
185.09642	1.7
186.10559	1.2
187.07669	2.1
187.11214	3.5
188.08386	1.6
189.09175	6.2
189.12825	22.3
190.13144	1.5
191.07071	6.1
191.10664	1.4
203.10793	4.8
203.14479	1.1
205.08728	17.5
205.12314	1.6
206.09216	1.7
207.10303	1.7
217.08667	1.8
218.09361	1.9
225.42780	1.0
229.08757	1.4
243.13963	1.2
266.11569	1.3
267.17700	1.6
268.20764	1.0
269.19055	6.4
271.20486	1.2
281.19040	5.3
283.17075	3.0
283.20709	3.3
285.18579	4.0
293.19202	8.2
294.19534	1.2
295.17090	1.1
297.18671	6.3
298.19049	1.2
299.20258	2.7
302.57556	1.2
309.18652	3.1
311.20264	19.6
312.20346	3.7
313.18173	78.7
314.18582	9.0
315.19794	1.9
317.21384	1.0
325.18207	4.1
327.19678	5.2
328.19962	1.2
329.21344	5.2
330.21777	1.0
337.18170	7.1
343.19217	3.8
345.20801	17.5
346.20984	2.5
349.51666	1.0
355.19315	8.7
356.19247	2.6
373.20288	100.0
374.20499	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	373.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16219	0.7
58.00482	1.7
58.97545	0.7
59.01265	26.0
59.03833	0.8
60.35331	0.8
62.54695	0.7
69.03353	0.9
70.91624	1.0
70.91954	1.8
71.01267	2.6
72.02040	1.2
72.99191	2.3
73.02838	6.9
81.03346	1.5
81.87458	0.8
83.01276	1.9
83.04918	2.1
85.02841	3.3
97.02848	12.1
99.00832	0.8
100.01546	5.2
101.02336	1.9
107.04929	1.4
109.02888	4.4
111.04419	1.2
117.64950	0.8
121.06524	1.2
122.03642	2.2
123.04498	1.1
123.08092	1.0
125.06017	1.2
128.04694	1.5
133.10092	0.8
135.08043	1.6
138.17371	0.8
141.01886	6.3
141.09204	0.9
150.68195	0.8
159.08125	1.4
161.09731	1.8
165.05515	1.3
169.08701	4.8
171.08260	1.8
173.06122	0.9
173.09657	1.9
174.89218	0.9
175.07634	1.0
175.11221	2.2
177.09099	1.6
185.09708	1.8
187.11255	3.3
188.08575	1.3
189.09213	5.1
189.12790	16.8
190.13280	1.3
191.07082	4.2
199.59395	0.9
201.09218	1.2
203.10747	3.4
204.11511	1.0
205.08707	14.0
205.12029	0.9
217.08670	2.7
229.08609	1.1
231.34541	0.8
238.51227	0.8
243.14050	0.8
255.17615	0.8
269.15771	1.5
269.19174	5.2
281.19214	3.9
283.17099	2.2
283.20657	2.5
284.56357	0.9
285.18661	13.9
286.18973	1.5
287.20300	1.0
293.19012	4.8
297.18668	5.2
298.18866	0.8
299.20203	2.8
309.18671	2.6
311.20270	13.5
312.20563	2.0
313.18170	100.0
314.18491	13.8
315.19702	1.8
317.21320	1.7
325.18121	4.7
327.19751	2.8
329.21378	3.2
330.18430	1.3
337.18152	7.7
338.18460	1.1
343.19241	3.4
345.20773	18.0
346.21100	2.9
355.19278	5.5
373.20270	88.8
374.20605	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	373.2029
Annotation	Durumolide B
Peak:m/z	Relative Intensity
59.01266	7.6
62.59815	0.4
69.03336	1.5
69.44769	2.2
69.45200	1.8
71.01265	1.7
71.04895	0.7
72.97406	0.6
74.98991	0.9
78.95818	0.7
79.52966	0.4
81.03365	0.8
83.01270	1.4
83.04897	1.7
85.02859	0.6
93.03360	0.6
96.95932	0.6
97.02856	37.0
97.06473	0.8
98.03187	1.3
101.02348	0.6
107.04936	1.8
109.02862	5.2
109.06516	0.7
111.04440	2.3
113.02319	0.7
116.22595	0.4
118.98055	0.5
119.04962	0.6
121.06523	2.2
123.00812	5.3
123.08086	17.4
125.09629	0.6
130.27969	0.4
135.04474	3.1
135.08093	1.0
145.06615	0.5
148.05357	0.5
149.06020	2.1
151.03918	0.5
151.07594	1.1
159.08105	0.6
159.11745	0.9
161.04520	0.5
161.09668	3.3
161.13289	1.9
163.03918	0.9
163.07576	1.8
171.08090	1.0
173.09659	0.5
175.07640	1.0
175.11250	3.4
177.12775	0.7
179.03477	1.7
185.09679	2.2
186.10362	0.8
187.07623	1.5
187.11183	1.1
188.04701	0.7
189.05550	8.9
189.09174	5.0
191.07204	0.6
201.08945	0.7
203.07162	1.6
203.10774	6.9
204.11377	1.3
205.08707	6.0
205.12291	1.3
211.06158	0.5
215.07161	1.4
218.09535	0.5
219.10297	3.5
229.08748	1.5
230.09468	1.5
233.08191	4.2
234.08597	0.5
247.09770	3.9
267.21353	0.7
285.22406	1.3
293.19046	0.6
295.17368	0.5
311.20282	6.7
312.20599	0.8
313.18182	0.9
315.19592	0.5
329.21292	14.4
330.21594	1.7
355.19250	6.5
355.85577	0.4
356.19653	1.0
373.20285	100.0
374.20633	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2007
Annotation	Asterolaurin F
Peak:m/z	Relative Intensity
56.55357	0.9
57.03347	1.7
59.01268	23.5
71.41486	1.1
71.41823	1.4
97.06499	2.3
99.04415	1.8
99.17927	0.8
108.59399	0.8
121.10161	17.1
123.08092	1.9
125.09661	7.2
151.03880	0.9
185.11816	12.3
197.11806	3.3
200.79886	1.0
205.08560	0.9
206.44516	1.0
207.10036	3.8
209.04549	1.0
209.11893	1.0
211.13391	1.3
233.11739	0.9
243.99785	1.0
245.19138	7.1
273.18710	1.3
291.19748	66.6
292.20172	7.1
295.17050	1.1
311.16226	1.0
313.17947	100.0
314.18292	10.3
331.19131	1.0
373.19293	1.4
389.83047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2027
Annotation	12-Deoxy-7,7-dimethoxy-6-ketoroyleanone
Peak:m/z	Relative Intensity
54.21788	0.4
57.03321	0.6
59.01266	6.3
67.01773	0.4
69.03336	1.5
69.72250	1.2
69.72678	1.6
71.01263	1.9
81.03342	0.8
83.01286	0.9
83.04912	1.4
93.03367	0.7
93.06967	0.4
95.04897	0.4
97.02853	26.5
97.06480	0.9
98.03193	0.6
98.19819	0.5
107.04925	1.2
108.02105	0.7
109.02872	5.3
111.04442	2.5
119.04921	0.6
119.08572	0.9
121.02849	0.6
121.06464	0.6
123.00787	3.7
123.08065	3.0
125.09576	0.5
129.01860	1.5
134.03667	0.4
135.04427	3.5
137.09601	1.2
143.08611	0.8
147.04448	0.7
147.08109	0.9
149.06056	1.4
151.07529	0.5
157.10214	0.7
159.08130	0.9
159.11751	8.8
160.12083	0.8
161.09671	4.3
161.13327	2.3
163.03986	0.6
163.07584	1.8
164.04785	1.1
171.08157	0.7
173.05969	0.8
173.09685	0.5
175.07597	1.2
175.11281	3.4
177.09128	0.5
179.03436	1.4
185.09723	2.5
186.10532	0.6
187.07622	1.8
188.08427	1.1
189.05566	5.8
189.09192	6.2
190.41095	0.5
192.04230	2.0
201.09189	2.6
202.09930	1.8
203.07094	1.4
203.10762	23.5
204.11485	5.9
205.05121	0.4
205.08701	4.7
205.12199	2.1
209.09711	0.9
211.07664	0.7
215.07188	0.8
218.09477	0.5
219.08464	0.4
219.10289	2.3
225.09137	0.4
229.08699	5.8
230.09297	0.7
233.08183	3.5
237.09282	2.9
238.09628	0.7
247.09776	3.7
248.10435	1.5
250.75948	0.5
251.10754	0.6
252.11597	1.3
253.08945	0.4
263.16635	1.2
267.21225	3.0
268.21475	0.5
273.18689	1.0
280.09628	0.5
283.20685	0.8
285.22253	2.3
311.20181	2.9
317.91699	0.4
329.21292	12.0
330.21674	1.6
340.09427	0.9
345.20721	1.8
346.20956	0.5
355.19247	3.2
356.19473	0.6
356.52542	0.4
373.20276	100.0
374.20569	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	373.1879
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
59.01266	100.0
60.01601	1.2
67.01772	0.2
71.01282	2.0
73.02861	0.4
78.95805	0.4
84.78687	0.3
85.02847	1.4
87.00772	0.3
93.03374	1.2
96.95940	0.6
99.00797	0.4
101.02343	1.6
113.02377	1.0
151.03946	1.7
161.04572	1.2
173.04550	0.6
191.05592	2.2
331.17731	1.5
364.14471	0.3
373.19122	0.6
384.29169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59708	0.3
57.03335	0.4
58.00481	0.6
59.01265	100.0
60.01608	1.4
69.03345	0.8
71.01270	17.7
71.14379	0.6
72.99195	1.2
73.02837	15.4
75.00791	0.4
77.04266	0.4
78.95810	0.9
83.01286	4.6
85.02835	3.3
87.00787	1.0
89.02335	6.7
89.02839	0.5
93.03414	0.4
95.01305	1.2
96.95940	0.5
96.96871	0.7
99.00794	0.9
101.02348	15.2
109.02863	0.4
113.02361	6.9
119.03421	2.8
120.99579	0.4
121.02870	0.4
125.02423	0.9
131.03410	1.6
131.12567	0.3
133.02910	0.4
134.03638	0.3
135.04442	0.6
143.03432	1.6
147.04466	0.4
149.02431	0.3
149.04510	1.2
153.40161	0.3
155.03432	0.6
161.02451	0.5
161.04506	3.3
163.04028	0.3
173.04538	0.3
179.05632	1.1
191.05695	0.9
193.01495	0.3
193.05153	0.4
203.05600	0.4
209.51163	0.3
267.70129	0.3
276.27664	0.3
285.11404	0.9
296.90045	0.4
331.17752	2.2
373.09814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21584	0.3
59.01265	100.0
60.01604	0.9
60.82595	0.3
70.41212	0.3
71.01267	3.4
71.13708	0.5
73.02849	0.7
83.01304	0.4
85.02836	1.7
89.02362	1.2
99.00788	0.4
101.01805	0.3
101.02352	1.8
106.77242	0.3
113.02353	2.0
131.76277	0.3
151.11253	0.3
155.36688	0.3
161.04533	2.4
174.03476	0.4
255.03044	0.6
283.02573	0.6
300.02890	0.5
313.16641	4.8
313.19949	0.4
314.17239	0.5
331.69608	0.3
373.19086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.1
55.83370	0.1
57.03333	0.8
58.00480	0.3
59.01265	100.0
60.01598	1.1
60.01858	0.2
69.03337	0.3
70.07400	0.3
70.07785	0.4
71.01271	14.5
72.01625	0.3
72.99204	0.7
73.02837	5.5
75.00771	0.4
79.20409	0.2
81.03357	0.3
83.01283	2.0
85.02844	6.5
86.03243	0.2
87.00766	0.8
87.39576	0.1
89.02335	4.0
89.67559	0.1
95.01293	1.1
97.02855	0.9
97.06475	1.1
99.00780	1.7
100.37745	0.2
101.02347	11.6
102.02673	0.3
111.00805	0.2
113.02352	6.1
114.02724	0.2
119.03401	1.4
123.08045	0.1
123.73701	0.1
125.02389	0.7
129.01932	0.2
131.03493	0.2
143.03384	0.9
159.02965	0.9
161.04507	7.5
162.04897	0.3
169.12346	0.4
179.05627	0.5
203.05627	0.3
211.13312	0.2
233.10400	0.7
247.09688	0.2
313.16617	1.8
313.19366	0.2
314.17191	0.2
331.17685	12.7
332.18002	1.4
373.18958	2.0
373.26630	0.2
374.19531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1878
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
50.95437	0.2
55.01757	0.7
57.03344	0.7
59.01264	100.0
59.05932	0.2
60.01596	1.1
60.21790	0.2
70.58442	0.8
71.01270	11.9
71.04916	0.4
72.99195	0.5
73.02833	3.7
73.03202	0.4
75.00765	0.5
83.01279	1.9
83.71810	0.3
85.02840	4.5
86.52694	0.2
87.00793	0.8
89.02334	5.9
95.01312	0.8
97.02895	0.3
99.00780	1.3
101.02348	8.9
102.02720	0.4
111.00827	0.2
113.02361	4.6
118.98022	0.6
119.03426	1.9
125.02402	0.5
129.01810	0.2
131.03477	0.4
135.04482	0.3
139.38020	0.2
143.03487	0.7
143.59642	0.3
159.02957	0.8
161.02417	0.3
161.04492	5.4
169.12305	0.7
179.05646	0.7
191.05617	0.4
205.03604	0.4
211.13506	0.3
240.46600	0.3
246.63602	0.3
270.08151	0.4
285.10632	0.4
313.16644	2.1
314.16992	0.3
331.17679	6.3
331.21317	0.5
332.18192	0.8
373.26318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19483	0.4
55.01771	0.6
57.03330	1.8
58.00481	1.9
59.01266	100.0
60.01603	1.2
69.03345	0.7
71.01273	32.5
71.04900	0.9
71.62928	0.7
72.99200	2.4
73.02837	7.0
74.98990	0.6
75.00782	0.4
78.95797	4.1
81.88925	0.5
83.01265	4.4
85.02849	11.0
85.93408	0.6
87.00795	1.7
89.02343	22.1
93.03389	1.4
95.01294	2.4
96.95902	0.6
96.96851	2.9
97.02837	0.6
97.06525	0.7
99.00809	2.2
101.02355	26.9
102.98496	0.6
108.02055	0.7
109.02878	0.6
111.00798	0.6
111.08095	0.9
113.02354	13.8
117.52103	0.6
119.03420	9.8
119.04866	0.6
120.99610	0.6
121.02838	0.6
121.10155	3.0
123.04640	0.5
125.02431	0.6
131.03445	1.2
134.03633	0.5
136.99092	0.5
137.02385	1.4
143.03467	1.7
145.02879	0.7
147.11697	0.6
148.25038	0.5
149.04535	0.7
149.06075	0.9
150.03035	0.5
151.03935	0.8
153.01871	1.1
155.03488	0.6
159.03024	1.2
159.04425	0.5
161.04512	8.9
163.03987	1.0
168.02992	1.2
168.04269	0.6
169.03334	0.6
169.12355	0.8
173.04520	1.0
179.05539	2.8
191.05592	1.8
193.12318	9.0
205.03520	0.5
211.13225	0.5
233.09468	2.7
301.20309	1.0
313.10895	0.8
313.16733	1.7
313.20450	5.3
322.50699	0.5
331.12433	0.5
331.13232	0.6
331.17740	10.3
331.21497	11.3
332.18060	1.0
332.21786	1.1
373.13272	1.4
373.18713	11.0
373.22607	11.6
374.18796	1.1
374.22885	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1874
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01772	0.5
57.03351	0.3
59.01264	100.0
60.01600	0.9
68.77281	0.3
69.99110	0.3
70.97700	0.3
71.01273	10.0
71.36652	0.7
73.02836	9.6
83.01281	2.6
85.02843	2.7
87.00792	0.4
89.02331	2.4
95.01285	1.1
99.00789	0.8
101.02346	8.9
113.02354	4.5
119.03438	0.7
124.54019	0.3
125.02383	0.4
143.28636	0.3
149.04558	0.4
159.02963	0.5
161.04474	3.4
271.52551	0.3
313.16501	0.6
331.17627	3.1
332.18341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68689	0.1
55.01773	0.6
57.03330	0.8
58.00477	0.8
59.01266	100.0
60.01602	1.1
61.09684	0.2
65.15575	0.1
69.03336	0.9
69.39963	0.4
69.40362	1.4
71.01271	19.8
72.01607	0.5
72.46754	0.2
72.99188	0.8
73.02836	15.3
74.03190	0.2
75.00764	0.4
81.03367	0.3
83.01279	4.4
84.49798	0.1
85.02845	5.0
87.00778	0.9
87.04419	0.5
89.02338	8.9
90.02674	0.2
91.99712	0.1
95.01293	1.3
97.02876	0.5
99.00768	1.1
99.04372	0.2
101.02349	17.6
101.05973	0.2
102.02703	0.3
113.02358	8.8
114.02689	0.2
119.03425	3.4
120.03826	0.2
125.02345	0.7
131.03415	1.5
135.04503	0.2
143.03441	1.4
149.04521	0.7
155.03508	0.3
159.02927	0.2
161.02422	0.4
161.04507	4.2
179.05592	1.0
193.05144	0.3
203.05748	0.2
211.13365	0.3
245.23206	0.2
267.58972	0.2
313.16577	1.2
315.71292	0.2
331.17697	7.9
332.18073	0.8
373.14426	0.2
373.19104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.4
57.03334	0.4
58.00483	0.3
59.01263	100.0
60.01595	1.1
70.57736	0.5
70.58096	0.4
71.01269	9.6
72.99200	0.4
73.02834	8.5
74.03201	0.2
75.00784	0.3
77.46536	0.2
78.95812	0.6
81.03353	0.3
83.01276	2.0
83.48385	0.2
85.02847	2.9
87.00779	0.4
89.02331	2.5
95.01305	0.6
96.96887	0.4
97.02917	0.2
99.00800	0.7
101.02341	8.8
102.02689	0.3
106.21987	0.2
113.02353	3.9
113.03072	0.3
119.03410	1.0
125.02341	0.5
131.03467	0.6
143.03413	1.0
159.03011	0.3
161.02472	0.2
161.04509	3.3
233.09625	0.6
309.00159	0.2
331.17673	3.0
332.18225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.5
59.01265	100.0
60.01600	1.4
69.36470	3.3
71.01273	5.7
73.02830	1.8
75.00758	0.4
75.52374	0.3
76.02667	0.4
78.95805	1.0
83.01315	0.6
85.02845	2.9
87.00773	0.5
89.02349	1.1
96.96871	0.6
98.20562	0.7
99.00800	0.7
101.02333	3.6
113.02355	2.0
119.03433	0.3
125.23457	0.3
143.03471	0.3
159.02864	0.4
161.04504	3.2
193.53664	0.3
233.09544	1.1
321.90286	0.3
331.17709	3.3
331.21368	0.3
332.18076	0.5
354.13043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08976	0.2
55.01760	0.3
55.65948	0.2
57.03336	0.4
58.00475	0.3
59.01264	100.0
60.01600	1.0
69.03349	0.4
71.01268	7.9
72.99200	0.3
73.02834	6.4
73.29279	0.2
75.00764	0.2
78.95793	9.4
81.03339	0.2
83.01277	1.8
85.02849	1.8
87.00792	0.2
89.02333	4.2
93.03363	0.3
95.01289	0.5
96.96864	8.4
97.02845	0.3
98.19785	0.6
99.00780	1.9
100.01173	0.3
101.02349	6.5
101.03008	0.4
102.57549	0.2
103.97826	0.2
111.00789	0.5
111.04462	0.3
113.02353	4.0
113.03538	0.2
119.03414	1.6
121.06567	0.2
123.00805	0.6
123.04412	0.3
125.02370	0.4
131.03452	0.5
134.03621	0.3
135.04489	0.8
139.00302	1.3
139.07605	0.2
140.01079	0.7
140.04584	0.3
141.01868	6.3
142.02269	0.3
143.03433	0.5
149.04498	0.4
149.06044	0.6
151.07610	0.2
153.01881	0.2
161.04536	0.7
165.01920	0.6
165.05498	1.6
165.99055	0.4
167.03485	0.3
168.00580	2.1
169.05025	0.6
179.03494	0.8
179.05612	0.6
181.05061	0.5
191.91138	0.2
193.05072	1.5
195.03021	0.3
209.04649	0.5
210.05327	7.0
211.06097	14.0
212.06526	0.9
216.38055	0.2
233.09488	10.1
234.09883	0.4
235.06284	0.4
249.08916	0.2
285.06375	0.5
303.07401	0.8
331.17825	1.1
341.11371	0.3
365.79791	0.2
370.36697	0.2
373.11368	5.5
373.19144	0.5
374.11942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03328	0.5
58.00481	0.4
59.01266	100.0
60.01605	1.0
69.46124	2.2
69.46554	0.7
71.01272	10.3
73.02843	2.9
78.95798	3.3
83.01279	1.9
85.02856	4.8
87.00790	0.4
89.02332	3.5
91.15260	0.3
95.01318	0.8
96.96857	3.3
97.15060	0.4
99.00818	1.1
101.02344	7.9
113.02361	4.8
119.03451	1.1
120.99550	0.6
121.02885	0.6
139.11220	0.8
149.02446	0.8
150.03165	1.9
159.02876	0.7
161.04500	5.7
161.05820	0.4
162.03148	1.8
165.05511	1.9
169.12326	0.5
177.05571	2.0
182.18190	0.4
195.06715	0.6
233.09528	4.8
313.16693	0.7
331.17691	11.2
332.18140	1.0
373.18887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
57.03334	0.2
58.00481	0.4
59.01266	100.0
59.90313	0.2
60.01601	0.8
62.65210	0.2
63.13515	0.2
69.36052	1.6
69.36457	0.5
71.01267	5.4
72.99206	0.3
73.02846	1.9
83.01257	0.5
83.16033	0.2
85.02863	1.5
89.02332	3.2
95.01299	0.7
99.00816	0.4
101.02351	3.1
113.02342	2.8
113.02940	0.2
119.03442	1.0
119.99312	0.2
131.03459	0.3
143.03487	0.4
146.13948	0.3
161.04503	0.6
163.27321	0.2
179.05591	0.6
206.44843	0.2
261.32193	0.2
331.17764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.3
56.78138	0.2
57.03316	0.2
58.00470	0.2
59.01265	100.0
60.01603	1.1
64.93567	0.2
69.03342	1.4
69.30938	1.0
69.31355	0.5
71.01273	4.2
72.99207	0.2
73.02832	1.7
74.54130	0.1
75.00722	0.2
77.48013	0.2
83.01292	0.6
85.02836	1.5
89.02328	1.9
89.42358	0.2
93.58211	0.2
95.01322	0.5
97.02886	0.4
99.00786	0.8
101.02361	2.7
113.02351	1.4
119.03392	0.9
127.91637	0.2
140.65005	0.2
143.03482	0.3
157.45683	0.1
160.54230	0.2
161.04460	1.0
161.48793	0.2
177.08031	0.2
185.00908	0.6
331.17731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56818	0.4
56.90514	0.4
59.01263	100.0
60.01611	1.1
61.11356	0.4
69.03345	0.7
69.89275	1.2
69.89686	1.2
71.01270	3.3
73.02834	0.7
83.01279	0.9
85.02838	2.0
89.02319	0.7
91.16213	0.4
97.02850	15.0
97.06492	0.7
101.02374	1.7
107.04951	0.5
109.02868	3.0
111.04430	1.1
113.02384	0.9
121.02848	0.6
123.00797	1.6
123.08094	1.4
129.01953	0.5
133.02859	0.7
134.03670	1.9
135.04442	1.8
135.08105	0.6
137.02287	0.5
137.09724	0.6
149.06020	1.1
151.03938	0.6
151.07617	0.8
159.11732	4.5
161.02417	1.2
161.04514	2.7
161.09700	1.5
161.13356	0.5
163.07585	0.7
170.15474	0.4
171.08109	0.5
175.11282	1.7
179.03474	1.5
185.09633	0.5
187.07640	1.1
189.05573	1.9
189.09189	2.7
193.05003	0.5
197.06017	0.7
201.09196	0.9
202.09982	1.3
203.07202	0.5
203.10741	11.2
204.11522	3.0
205.08763	2.2
205.12326	0.6
219.10352	1.3
229.08679	3.2
230.09235	0.5
233.08272	1.4
247.09818	2.1
248.10638	0.6
267.21286	1.7
276.06335	0.5
285.22266	0.9
311.20209	1.4
313.16562	5.5
314.17157	0.6
322.17667	0.5
329.21274	6.7
330.21896	0.7
345.20865	0.9
355.19250	1.7
373.20273	49.2
374.20596	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	373.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01608	1.0
61.56798	0.5
64.11988	0.5
69.50755	4.4
71.01271	3.0
75.99821	0.5
80.41532	0.5
84.26641	0.5
85.02869	1.1
86.39879	0.6
86.40450	0.5
87.27905	0.6
93.03391	0.6
101.02380	1.5
113.02377	1.0
121.02963	0.5
151.03952	10.0
153.01860	1.0
161.04539	1.4
165.26833	0.5
173.77324	0.5
191.05550	1.0
222.06981	0.6
223.74939	0.6
265.07227	0.6
266.08127	0.5
331.17877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3175
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
53.47893	0.9
59.01263	15.2
71.01270	1.2
180.00357	1.0
190.68170	1.1
248.29504	1.0
295.30081	10.6
296.30618	1.3
323.29630	4.3
325.31168	13.6
326.31262	1.4
347.07535	1.1
371.31726	100.0
372.32104	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	371.2593
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
55.01768	0.4
55.94661	0.1
57.03339	22.0
58.03669	0.5
59.01263	1.8
67.01781	0.3
69.02995	0.1
69.03342	2.9
71.01287	0.4
71.04904	0.4
71.58036	0.1
73.02825	0.2
77.53717	0.1
79.05426	0.3
81.03333	0.8
83.04917	2.6
85.02877	0.3
85.06487	0.3
87.35878	0.1
93.03383	0.5
94.04130	0.3
95.01324	0.2
95.04929	1.2
97.02857	0.9
97.06489	2.5
98.03642	0.2
99.04420	6.5
100.04723	0.2
101.02341	0.1
106.04189	0.2
107.04930	1.0
108.02090	0.3
109.06502	41.5
110.06846	1.7
111.04464	0.3
111.08059	3.1
120.05672	0.1
121.06511	3.2
121.10142	0.5
122.03665	0.2
123.04465	0.3
123.08079	2.6
125.06044	0.1
125.09665	0.5
133.06506	0.3
135.04465	1.0
135.08075	0.8
136.05231	9.5
137.06093	0.7
137.09653	1.3
139.07565	0.6
145.10185	0.1
146.07289	0.2
147.08064	0.7
147.11708	0.9
149.06029	1.8
149.09662	1.9
151.11224	1.5
153.12793	0.5
158.23050	0.2
161.09665	0.8
163.11240	7.5
164.11542	0.4
165.09187	0.4
165.12831	0.3
177.12721	0.6
179.10754	3.3
181.12320	0.6
189.12811	0.5
191.14394	0.3
195.13792	0.2
201.16481	0.2
203.14401	1.4
204.11530	0.2
205.15977	2.9
206.16222	0.2
215.14299	0.2
217.16040	0.3
219.13977	4.0
219.17522	7.0
220.14310	0.2
220.17896	0.7
221.15465	0.1
229.15953	0.5
231.17540	4.8
232.17946	0.4
245.19267	0.2
259.20749	0.5
261.22299	1.4
262.15753	0.4
271.20694	4.6
272.21072	0.6
273.18658	0.7
273.21960	0.3
274.19269	0.4
287.20233	0.5
289.21796	99.7
290.22144	10.2
290.24750	0.2
325.25400	0.3
327.26926	0.7
341.25046	0.2
343.26529	1.0
344.26794	0.1
345.64658	0.1
353.25021	0.3
356.23682	0.3
371.25983	100.0
372.26318	13.7
384.09952	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	371.1874
Annotation	CHEBI:69987
Peak:m/z	Relative Intensity
55.01756	0.6
57.03344	0.7
59.01256	3.0
63.83207	0.4
67.05418	0.6
69.03350	3.2
71.01270	1.6
71.04908	25.2
72.05283	0.5
74.99020	0.8
79.84066	0.5
81.03352	2.1
81.67022	0.5
83.01275	1.1
83.04919	2.3
89.71992	0.5
97.02853	100.0
97.06477	2.6
98.03188	2.3
107.04949	2.3
107.08566	0.6
108.02073	1.3
109.02866	11.2
109.06486	1.2
111.04435	11.4
112.04810	0.5
113.05923	0.5
119.04936	0.7
121.06511	4.4
121.10210	0.8
123.00836	1.4
123.08077	72.6
124.08427	3.4
125.09663	0.5
131.08572	1.1
133.10159	4.0
135.04410	0.9
135.08069	0.8
136.84859	0.6
137.05998	0.8
147.08112	0.9
149.09679	1.0
152.76981	0.5
157.10187	1.3
159.04504	0.6
159.08089	0.9
159.11745	1.5
161.09674	2.7
163.07658	0.7
163.11234	1.7
173.06100	0.6
173.09700	0.7
175.07620	15.5
175.11211	1.7
177.09233	0.5
177.12836	1.3
179.03442	0.8
185.09665	1.4
187.07655	2.4
187.11296	0.6
189.05551	2.0
189.09172	5.7
189.12794	0.6
199.11218	1.7
199.14946	1.2
201.09129	2.3
201.12900	1.1
203.07191	0.8
203.10701	2.9
203.43900	0.6
204.11201	0.7
205.08614	2.8
213.12857	0.9
215.14410	2.2
217.15939	3.8
219.10303	1.4
229.08754	1.8
233.08113	1.3
243.13950	3.6
245.08138	1.1
247.09753	4.0
259.13449	7.0
260.13724	0.7
261.15027	5.7
267.17517	0.8
283.17633	1.0
283.20731	10.0
284.21097	1.2
285.18896	0.7
287.12955	46.3
288.13351	5.3
297.18530	0.6
299.13062	4.0
299.20160	1.8
309.18820	1.1
325.18021	1.2
327.19724	31.7
328.20081	4.8
353.17676	2.2
371.18716	89.3
372.19049	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	371.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50884	0.7
52.79238	0.7
55.01771	1.7
57.03347	2.2
57.96105	0.8
58.00482	5.5
59.01266	100.0
60.01616	0.8
69.54574	0.7
71.01273	63.9
71.04894	0.7
71.17905	1.2
71.18248	1.6
72.01620	0.9
72.99200	5.9
73.02847	3.6
75.00796	0.7
78.95806	1.0
83.01280	3.6
85.02844	13.0
87.00776	3.2
89.02340	72.3
90.02728	1.0
93.03345	1.5
95.01273	4.0
96.95922	1.0
96.96879	1.3
97.02840	5.2
99.00797	1.7
101.02350	40.4
101.55521	0.7
102.13419	0.7
108.02101	0.9
108.62386	0.7
111.00790	0.9
113.02362	29.0
114.02737	0.9
118.97997	0.7
119.03423	35.2
120.03807	0.9
121.02908	0.9
121.49706	0.7
123.08087	2.5
131.03455	2.5
135.04471	1.5
143.03453	3.1
147.11737	4.6
149.04518	2.4
161.04498	3.6
163.03947	0.9
179.05597	2.8
179.07126	1.0
191.05609	1.7
191.10762	6.1
193.05084	1.3
195.06845	0.7
209.08197	2.1
227.53572	0.7
261.15042	0.8
287.12915	1.4
292.22049	0.8
294.30539	0.8
327.19577	1.3
329.29764	0.7
355.71658	0.7
356.12802	0.8
371.11826	2.0
371.17148	24.2
371.24341	1.1
372.17670	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	371.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
57.03338	0.5
59.01266	100.0
60.01595	1.4
68.58159	0.4
69.03359	0.7
69.84202	0.3
70.77448	0.3
71.01268	6.3
71.59013	0.6
72.99201	1.1
73.02842	2.4
74.99000	0.5
75.00745	0.5
77.11180	0.4
78.82931	0.4
78.95813	0.7
83.01291	0.9
85.02848	2.7
87.00805	1.2
89.02338	0.7
89.44100	0.4
90.78664	0.3
93.03380	0.9
95.01307	0.9
96.95876	0.5
97.02839	0.4
99.00813	1.3
101.02340	4.3
102.98537	1.5
111.00854	0.4
113.02357	2.7
118.98026	1.9
119.07229	0.4
121.02889	1.2
130.08687	0.5
133.02873	0.4
135.00874	0.4
135.04501	1.5
136.36328	0.4
143.88873	0.4
149.09715	0.8
152.01131	0.7
159.02893	0.5
161.02452	0.6
161.04539	2.3
167.03516	1.2
173.04608	1.4
177.01974	0.6
181.05025	0.7
191.05620	2.3
208.00230	0.7
209.04610	1.0
226.03192	1.1
236.55183	0.4
241.05530	1.5
241.09053	2.2
244.64616	0.4
327.08957	0.8
329.16162	1.9
371.06201	0.7
371.10193	0.7
371.17322	1.9
371.21771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49620	0.8
55.01768	1.1
57.03326	1.6
58.00483	3.7
59.01267	100.0
60.01606	0.7
69.03345	1.6
69.30704	5.5
69.31138	3.6
70.12127	0.8
71.01273	62.6
71.04916	4.8
72.01582	0.8
72.99214	5.4
73.02846	4.7
75.00775	1.0
80.52843	0.8
83.01277	2.8
85.02849	11.9
87.00755	4.6
89.02341	74.7
90.02671	1.2
93.03368	2.4
95.01266	3.3
97.02858	19.1
97.06488	1.9
99.00800	1.9
99.04398	0.9
101.02354	31.2
102.98491	2.1
109.02885	2.7
111.04404	3.0
113.02359	24.3
119.03425	21.9
119.04797	1.2
121.02884	1.7
122.06027	2.6
123.08076	13.2
131.03419	2.0
135.04468	2.3
137.02431	1.1
143.03453	2.7
145.02872	1.1
146.03668	1.2
149.04469	1.6
152.07166	2.9
159.04472	2.2
159.11743	0.9
161.02422	1.5
161.04498	7.1
162.05597	2.1
163.03906	1.5
167.10733	1.1
173.04550	1.3
173.06049	1.2
175.07571	2.7
179.05542	3.6
189.09079	0.9
191.05583	3.4
205.05132	1.2
209.15366	1.3
225.14555	0.9
251.07225	2.2
261.14957	1.0
280.07260	0.8
283.02625	1.2
283.13483	1.3
283.20679	1.8
287.12888	7.4
295.09952	1.6
327.12704	1.1
327.19647	7.3
371.12106	2.5
371.15216	0.9
371.18683	13.0
371.24820	1.8
372.19360	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55894	0.3
55.01787	0.4
57.03332	0.6
59.01263	100.0
60.01603	1.3
71.01270	6.3
71.57823	0.7
73.02823	1.8
78.95818	1.3
81.03337	0.6
83.01290	0.5
83.04900	0.8
85.02843	3.2
87.00754	0.5
89.02362	1.2
91.01795	1.1
93.03371	0.6
95.01295	0.4
96.95929	0.7
97.02812	0.4
97.63342	0.4
99.00783	0.6
101.02348	3.1
101.05956	0.4
102.98534	0.8
111.75284	0.3
113.02347	2.6
118.59662	0.3
118.97984	0.9
121.02874	0.6
128.03453	0.6
128.39967	0.4
130.08688	1.8
133.01498	0.4
135.00841	1.3
135.04469	1.1
137.02431	0.4
147.04489	0.4
149.09700	0.7
152.99580	0.4
159.02992	0.5
161.04463	2.5
162.03087	0.4
165.12192	0.4
167.03433	4.0
173.04543	0.6
177.01813	0.4
179.03464	0.4
191.05542	2.5
207.03052	0.7
211.00749	0.6
241.05508	0.7
243.17163	0.6
329.16006	1.7
354.20508	0.5
371.10040	0.6
371.17279	4.0
371.22150	2.6
372.16730	0.6
372.21652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	1.0
59.01264	100.0
60.01593	1.3
62.72124	0.6
67.89223	0.7
68.02420	0.7
69.03343	1.1
69.66223	4.4
71.01268	21.4
73.02836	26.9
78.95796	17.4
83.01266	5.8
85.02853	3.3
87.00771	1.0
89.02342	6.7
93.91012	0.6
95.01266	0.9
96.96858	14.2
99.00777	1.0
101.02350	20.7
110.03523	1.5
111.01893	0.8
113.02368	7.5
119.03428	2.0
125.02379	1.3
127.80616	0.7
131.03458	2.4
136.05046	0.7
137.02354	1.4
137.04666	0.8
139.00320	0.7
143.03429	1.1
147.08087	1.2
149.09653	14.7
149.10812	0.7
150.10004	1.3
161.04520	3.0
162.03180	0.7
162.17125	0.7
180.42041	0.6
181.05002	0.8
204.24873	0.6
209.04628	1.0
233.09502	12.6
234.09843	6.6
242.10069	0.7
372.13538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1357
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
54.15872	1.7
55.01772	2.4
58.00482	3.4
59.01266	79.4
59.64074	1.7
61.98737	2.5
71.01272	39.5
71.57003	2.2
71.57374	2.3
72.99194	5.8
73.02827	4.2
75.00759	2.1
77.18809	1.8
83.01263	2.4
85.02853	7.4
87.00779	4.2
89.02340	47.9
93.03371	2.1
95.01269	3.2
96.95893	2.2
99.00785	1.8
101.02343	30.1
113.02362	17.3
119.03414	22.0
121.02865	6.8
125.02325	1.9
131.03455	2.2
134.03661	2.1
135.04390	2.6
137.06049	2.3
143.03540	2.5
150.06825	1.7
159.03020	2.3
161.04471	4.5
167.03476	2.5
171.91382	1.8
173.04446	2.2
179.05554	2.8
191.05586	10.6
193.05095	2.3
197.04555	3.7
201.95128	2.1
209.08080	2.5
274.76859	1.9
371.09915	4.6
371.13574	100.0
372.13925	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	371.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01605	1.2
61.98724	1.1
67.01773	0.6
70.58476	0.5
70.58826	1.4
71.01260	2.1
73.02821	0.8
75.00754	0.8
85.02872	1.8
87.00764	0.9
87.24339	0.4
89.02393	0.6
93.03371	2.7
101.02381	0.8
107.04974	0.6
111.04452	1.0
113.02394	0.6
121.02883	4.1
130.08694	0.9
133.02858	0.4
134.03661	0.4
135.04503	1.3
173.04478	2.8
179.03528	0.9
191.05583	14.0
192.05968	1.1
197.04549	2.9
218.47046	0.6
249.06226	0.7
269.10522	1.1
332.83777	0.4
346.23276	0.5
353.09073	0.5
353.87918	0.5
371.09955	3.1
371.17361	0.7
372.10336	0.6
372.21558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1356
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
50.40740	1.5
55.01765	2.0
57.03332	1.5
58.00488	3.3
59.01267	89.7
71.01270	50.9
71.01669	2.4
71.38344	2.6
72.99213	7.3
73.02835	2.6
75.00776	5.3
83.01282	2.1
85.02834	16.7
85.28781	1.4
87.00788	5.6
89.02340	49.0
91.05383	2.2
93.03363	2.0
95.01294	4.6
99.00779	4.3
101.02349	29.8
113.02354	29.2
119.03425	26.4
121.02878	34.1
122.03241	2.6
123.27902	1.5
131.03444	2.0
138.41272	1.3
147.08083	3.5
149.04556	2.0
160.69496	1.4
161.04495	3.3
179.05649	2.8
191.05598	4.4
191.07127	1.6
193.04962	1.9
197.04498	2.0
231.05215	1.8
249.06163	10.0
254.73952	1.7
308.29761	1.3
326.80704	1.4
371.09711	27.1
371.13596	100.0
372.10156	2.2
372.14032	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	371.1356
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01766	1.8
57.03341	2.5
58.00481	3.7
59.01265	94.7
62.53757	0.8
68.98379	0.9
69.19893	0.9
70.95910	2.9
71.01270	55.1
72.99198	8.0
73.02848	1.9
75.00767	6.1
81.03352	1.9
83.01287	4.0
85.02843	18.9
87.00780	5.4
89.02337	57.0
91.05455	1.1
93.03362	6.3
95.01297	4.3
96.95914	1.4
96.96897	0.9
99.00778	5.1
101.02348	33.7
103.00281	1.7
113.02356	27.0
119.03416	26.7
121.02868	31.7
122.03221	1.3
125.02375	3.4
129.01852	1.6
131.03404	2.4
135.04465	3.2
143.03430	2.8
146.37498	1.0
147.08168	2.7
149.04483	1.1
151.34052	1.0
153.01764	1.0
160.53642	0.9
161.04532	1.3
173.04523	6.1
175.02448	1.1
178.23085	1.0
179.03346	1.8
179.05591	3.9
191.05589	23.3
192.05923	1.7
193.04933	1.2
197.04555	6.2
209.04550	1.0
231.05348	1.4
249.06229	8.5
288.23840	1.1
353.08966	1.6
371.09772	18.6
371.13696	100.0
372.10062	1.9
372.13925	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.7
59.01268	17.9
64.39871	0.9
67.01765	1.4
68.99692	2.3
69.03333	1.7
69.76201	6.0
71.01270	18.6
72.99184	4.8
73.02855	1.7
75.00764	18.7
77.81254	0.9
83.01297	1.1
85.02845	18.2
87.00752	7.5
89.02345	4.2
89.16339	1.0
95.01285	5.1
98.19893	2.0
99.00787	10.9
103.00278	1.8
111.00787	1.2
113.01627	1.7
113.02370	25.8
114.02707	1.5
117.01876	3.9
121.02876	100.0
122.03201	3.5
129.01884	1.9
157.01358	1.5
175.02344	3.2
231.05096	6.6
249.06203	91.7
250.06535	5.5
263.95618	1.2
281.76950	1.0
311.07861	1.3
353.09116	2.7
371.09927	84.1
372.10205	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	371.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33473	0.3
55.57301	0.2
56.44622	0.3
56.55436	0.3
57.03331	0.6
59.01260	3.0
64.03419	0.2
69.26129	2.3
69.26539	0.6
71.01279	2.4
72.99207	0.3
73.02834	0.7
75.00751	0.3
78.95789	1.6
81.03319	0.3
83.04918	0.5
85.02845	9.0
87.00779	3.9
89.02322	1.3
93.03348	2.6
96.95904	0.3
96.96875	0.6
99.00780	0.5
101.02348	1.1
104.03480	0.5
107.79141	0.3
108.02018	0.3
109.02867	0.8
111.00778	0.4
111.04425	0.9
113.02325	0.4
121.02905	0.5
124.01586	0.6
125.02377	0.3
127.03908	1.8
128.03485	1.7
129.01845	0.6
133.01364	0.5
135.04437	4.1
136.01581	0.4
151.00327	0.4
151.03935	0.6
152.01089	2.7
152.09286	0.3
153.01549	0.3
163.06140	0.3
164.07147	0.4
167.03459	0.8
171.02934	0.6
173.04524	1.6
175.06099	0.8
178.99817	0.8
179.03506	0.4
191.05585	100.0
192.05904	3.8
197.04486	0.3
208.00130	2.6
208.06216	0.3
209.00893	0.5
209.02969	2.8
235.06119	0.6
300.70483	0.3
318.58783	0.3
352.54977	0.3
353.08865	0.6
371.06180	3.3
371.10049	4.1
372.06357	0.6
372.10400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37481	1.3
54.58311	1.3
55.01770	1.7
59.01266	43.4
67.01784	5.5
68.16222	1.3
68.99693	1.5
71.01270	23.1
72.99206	6.3
73.02846	8.5
74.34247	1.4
75.00773	8.2
81.03348	2.1
83.01270	2.2
85.02843	17.1
87.00779	15.1
89.02336	17.3
90.10329	1.3
93.03359	33.5
95.01271	2.4
98.20672	2.3
99.00786	1.6
101.02345	9.7
107.04942	5.2
109.02895	2.6
111.04447	7.7
113.02355	15.7
117.03391	2.9
119.03442	6.1
121.02869	51.8
122.03252	2.2
123.04398	3.0
127.03954	1.7
128.54547	1.3
134.03673	24.8
135.04489	12.9
136.05191	5.0
137.02466	1.8
137.06004	2.2
151.03926	1.9
153.05478	2.4
155.03419	1.6
164.04723	7.2
165.05510	4.4
173.04512	30.6
174.04939	1.4
179.03477	7.8
187.51292	1.5
191.05586	100.0
192.05969	6.4
193.04982	29.6
194.05367	2.6
197.04530	44.8
198.04903	2.7
205.43674	1.3
229.11205	1.6
249.06236	6.9
353.08856	5.3
354.71243	1.5
371.09805	53.3
371.13733	20.6
372.09915	7.0
372.14175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13710	1.5
59.01254	6.5
60.21830	1.4
64.32822	1.4
65.14138	1.5
70.09882	5.9
78.95797	100.0
96.96865	87.6
109.04002	8.9
136.05093	4.6
196.61784	1.7
233.09505	97.6
234.09801	6.1
389.24478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.7
59.01565	0.5
69.01791	0.5
70.94369	1.0
70.94735	0.9
77.47717	0.5
78.95795	78.8
79.02906	0.8
93.03348	0.5
96.96865	65.1
99.31402	0.5
102.76741	0.5
109.03988	5.6
110.03474	0.7
115.05185	0.5
119.62246	0.6
136.05103	4.3
139.00261	0.6
140.43474	0.6
145.73927	0.5
165.05565	0.6
173.69095	0.5
181.05034	2.7
209.04527	2.2
233.09502	100.0
234.09822	5.2
247.07391	0.5
289.66101	0.6
371.09851	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0781
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01267	2.6
61.98711	0.4
69.91917	1.1
74.51475	0.2
77.65180	0.2
84.62881	0.3
121.02878	100.0
122.03215	4.4
135.04442	0.3
149.02391	0.6
179.03465	11.4
180.03816	0.6
181.06584	0.4
187.07516	0.2
209.04617	0.3
225.05655	0.6
239.07104	0.5
239.55319	0.3
256.31223	0.2
283.06216	0.4
292.81451	0.3
298.08447	0.3
327.08643	0.3
341.10455	0.3
371.07803	15.0
372.08047	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
59.01265	5.2
67.44102	0.2
67.83125	0.2
71.01278	1.0
71.48405	0.3
83.04934	0.2
89.02341	2.8
91.03902	11.3
97.06499	0.3
99.74362	0.2
113.09626	1.8
150.72415	0.2
177.12825	0.5
179.14386	1.0
181.12294	0.6
195.13881	16.3
196.14259	1.0
220.93849	0.2
233.22813	0.3
251.23914	0.5
259.20724	0.3
275.19824	0.2
277.18591	0.6
277.21780	15.1
278.22086	1.6
293.21283	0.2
295.22836	100.0
296.23175	11.4
297.24466	0.9
309.27682	0.2
369.22662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53084	13.8
59.01275	100.0
60.54267	13.5
68.41998	13.3
70.99445	39.9
71.01273	25.2
76.54284	11.7
103.75466	13.4
121.02856	23.0
182.01244	13.0
183.01143	14.4
213.14983	22.4
279.00064	13.0
342.54111	13.9
369.17630	56.5
369.22827	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	369.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75443	16.5
59.01265	100.0
61.98712	19.6
69.73019	96.0
71.01259	18.6
76.89254	13.3
85.02850	15.8
98.19836	16.4
106.22236	14.5
161.02359	16.2
183.75963	13.0
264.11588	13.3
331.19226	16.1
369.17551	39.3
369.23291	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	369.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07464	0.5
53.72420	0.5
59.01268	8.9
65.26379	0.5
71.01267	4.2
71.59476	0.8
73.02831	4.6
74.07774	0.5
77.42258	0.5
85.02832	0.9
93.03336	0.7
101.02355	1.8
113.02332	1.4
123.04411	0.8
125.02377	0.6
126.77129	0.5
135.04507	0.8
137.02422	0.7
151.11237	1.7
161.02420	1.4
165.09166	100.0
166.09500	6.2
168.26227	0.6
173.04427	0.7
179.10718	4.0
181.12354	0.5
191.05602	0.7
191.15204	0.5
207.10274	2.4
219.10219	0.9
237.11333	1.6
240.32140	0.5
369.23026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
58.65844	0.5
59.01268	59.7
60.01609	1.3
71.01272	5.3
71.59966	0.7
72.97434	1.0
73.02837	1.2
74.99007	1.6
79.95669	0.6
82.52156	0.5
83.01266	0.7
85.02859	1.7
87.00774	0.9
89.02349	0.6
89.03906	0.6
93.03362	1.7
96.95949	0.8
97.59657	0.5
99.00753	0.7
99.04404	1.2
101.02342	0.8
105.03373	1.2
107.05029	0.5
108.02052	0.8
109.02898	0.6
111.04448	0.7
113.02381	1.0
115.03789	0.5
115.15723	0.5
117.03379	2.6
118.08278	0.5
118.98025	0.5
119.05001	0.7
121.02895	1.1
123.04438	1.4
128.36346	0.5
129.01906	0.7
132.02104	17.8
133.02905	5.0
133.05026	2.1
134.03679	100.0
135.04153	2.9
136.01617	0.9
136.99107	1.6
137.02412	1.8
145.02910	0.8
147.04503	1.2
149.02422	1.3
149.06044	27.0
150.06348	1.3
151.03931	1.4
159.04480	0.5
160.01622	81.7
161.02042	5.0
163.03966	0.6
165.05556	7.6
173.04544	1.3
175.03976	88.8
176.04314	5.3
178.02660	1.4
179.03461	1.2
191.05618	3.1
193.05051	97.0
194.05399	5.7
202.06456	0.7
219.06670	1.2
235.09898	0.9
294.07709	1.2
309.09879	35.4
310.10172	3.7
325.09430	2.4
327.11044	0.8
369.11993	22.9
370.12436	3.5
383.80054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	4.0
57.03333	2.7
58.00475	1.8
59.01266	32.5
69.64868	9.8
71.01270	61.1
72.99210	3.6
73.02837	23.4
75.00752	3.3
81.03311	1.5
83.01287	8.7
85.02843	25.6
87.00774	4.0
89.02326	17.8
93.03352	2.0
95.01267	4.4
97.02844	3.8
98.20005	2.7
99.00791	11.4
101.02343	59.1
113.02353	24.0
115.03950	2.8
119.03317	1.3
122.23523	1.3
123.04433	1.3
125.02343	5.3
129.01837	1.5
131.03406	5.6
143.03423	3.7
149.04488	6.2
151.03902	1.4
159.02951	5.9
161.04512	27.6
173.04514	1.5
177.97017	1.5
191.05571	6.5
233.06671	5.9
237.09825	70.2
238.10138	4.1
293.09048	2.2
297.52545	1.4
353.88846	1.6
368.56015	1.4
369.14087	100.0
370.14343	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	369.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95519	0.5
56.06415	0.4
56.97938	0.5
59.01266	5.4
60.53556	0.4
61.52697	0.4
62.60480	0.4
67.49238	0.4
69.94833	1.0
69.95227	1.4
71.01263	0.8
72.97431	1.0
73.98209	0.8
84.42336	0.5
87.00750	0.5
101.97733	0.6
132.02122	0.8
134.03606	0.6
135.16806	0.4
138.27502	0.4
143.07149	0.5
143.14308	0.5
145.02888	0.5
158.74895	0.5
160.01590	7.7
161.02422	2.6
164.04710	0.5
165.09163	0.6
175.03990	10.8
176.04303	0.8
177.05508	0.9
178.00816	0.5
179.01698	0.6
179.07137	1.2
190.06360	1.0
192.99573	0.7
193.03316	2.4
193.04797	0.6
193.30705	0.5
194.00414	9.6
195.00818	0.7
197.02753	2.4
204.99619	0.7
208.01990	8.5
209.02777	24.8
210.03065	1.6
212.01497	0.8
220.02061	1.2
223.04355	54.3
224.05013	10.0
235.04445	3.0
239.04111	3.7
239.07503	100.0
240.07809	7.3
250.06761	0.6
265.09103	9.6
266.09283	0.5
309.08124	1.9
327.09125	9.3
328.09525	0.6
359.36310	0.4
369.10248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94476	0.6
56.97930	1.7
57.03358	1.1
59.01273	6.4
60.99205	2.5
67.01778	5.8
69.03374	2.2
69.68218	3.2
69.68627	1.2
71.01269	4.6
72.99216	0.8
73.02859	1.3
81.03353	3.5
83.01293	1.4
83.04926	1.1
85.02838	10.7
87.00771	13.0
87.01264	0.7
88.72485	0.6
89.03886	1.6
93.03356	43.7
94.03706	2.6
95.01260	1.0
95.04959	2.1
97.02837	1.1
99.00793	2.0
99.04407	1.2
101.02369	0.9
105.03393	2.3
107.04922	3.3
108.02069	4.3
109.02866	6.8
111.00797	1.3
111.04417	6.7
116.32841	0.6
119.04940	7.6
120.05305	1.1
121.02873	3.1
123.04441	18.7
124.04806	0.8
125.02392	2.8
127.03987	2.5
128.31499	0.7
129.01837	3.3
132.02171	0.7
133.02881	12.4
133.13754	0.7
134.03720	3.4
135.00809	2.5
135.04521	3.8
137.02354	1.6
149.02362	3.0
149.05981	0.7
151.03935	16.7
153.01898	0.7
153.05226	0.7
153.68486	0.7
155.03441	2.3
160.01636	1.2
161.02408	2.7
163.03941	3.7
164.04352	1.2
165.14134	0.7
171.02907	0.8
173.04510	28.6
173.06023	1.4
174.04877	2.0
177.01891	8.7
178.02556	1.0
179.03447	3.7
191.05582	100.0
192.05920	5.4
193.04912	1.5
195.02959	13.9
223.04529	1.7
230.96019	0.8
369.08209	23.9
370.08618	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	369.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93131	0.8
57.03301	0.9
59.01265	7.4
60.99191	2.7
67.01508	0.7
67.01785	8.6
67.14885	0.7
69.03336	3.1
69.66525	5.4
71.01265	6.5
72.99170	1.2
73.02863	1.3
78.57107	0.8
81.03355	3.2
83.01277	1.2
83.04938	1.9
85.02837	10.4
87.00771	13.0
89.03855	1.4
91.48788	0.9
93.03362	61.5
94.03674	2.0
95.04910	1.7
97.02859	3.4
98.20531	1.1
99.00771	1.6
99.04417	3.0
101.02331	1.2
105.03358	2.7
107.04936	1.9
107.77039	0.9
108.02090	5.3
109.02856	4.6
111.00746	1.3
111.04443	8.8
113.02346	1.0
119.04932	4.2
121.02858	4.0
123.04441	29.4
124.04855	1.1
125.02393	8.0
127.03904	1.9
129.00899	0.9
129.01859	2.4
133.02896	14.4
134.03688	1.5
135.04434	1.3
137.02385	2.5
147.04411	2.1
149.02422	4.0
151.03963	18.8
153.01840	1.1
155.03479	1.7
163.03944	3.5
171.02898	1.0
173.04520	35.1
173.06017	1.8
174.04900	1.6
177.01878	5.2
191.05595	100.0
192.06001	4.5
193.06236	1.3
195.02991	13.9
195.33771	0.8
215.05548	0.9
369.08286	27.1
370.08710	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.2
60.99187	1.5
67.01774	4.0
69.88097	0.9
71.01270	2.4
71.57869	1.1
72.99219	0.8
81.03339	1.7
85.02852	8.2
87.00766	7.9
93.03362	27.3
94.03662	1.4
95.04979	1.2
105.03374	1.3
109.02865	2.9
111.04433	5.8
117.08013	0.8
119.04976	0.9
121.02865	1.9
122.03683	0.8
123.04449	28.1
124.04764	1.1
127.03917	2.4
129.01857	1.5
133.02876	12.6
134.03728	1.4
135.04448	2.1
137.02350	1.4
149.02371	1.2
151.03944	4.7
153.01845	0.8
154.02652	1.1
155.03413	1.6
171.02892	1.0
173.04514	24.1
174.04884	1.4
177.01889	11.5
178.02226	0.7
191.05588	100.0
192.05954	6.9
193.06058	1.2
195.02965	10.5
215.05576	1.2
351.07196	1.4
369.08295	20.2
370.08530	2.5
376.29224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94476	0.6
56.97930	1.7
57.03358	1.1
59.01273	6.4
60.99205	2.5
67.01778	5.8
69.03374	2.2
69.68218	3.2
69.68627	1.2
71.01269	4.6
72.99216	0.8
73.02859	1.3
81.03353	3.5
83.01293	1.4
83.04926	1.1
85.02838	10.7
87.00771	13.0
87.01264	0.7
88.72485	0.6
89.03886	1.6
93.03356	43.7
94.03706	2.6
95.01260	1.0
95.04959	2.1
97.02837	1.1
99.00793	2.0
99.04407	1.2
101.02369	0.9
105.03393	2.3
107.04922	3.3
108.02069	4.3
109.02866	6.8
111.00797	1.3
111.04417	6.7
116.32841	0.6
119.04940	7.6
120.05305	1.1
121.02873	3.1
123.04441	18.7
124.04806	0.8
125.02392	2.8
127.03987	2.5
128.31499	0.7
129.01837	3.3
132.02171	0.7
133.02881	12.4
133.13754	0.7
134.03720	3.4
135.00809	2.5
135.04521	3.8
137.02354	1.6
149.02362	3.0
149.05981	0.7
151.03935	16.7
153.01898	0.7
153.05226	0.7
153.68486	0.7
155.03441	2.3
160.01636	1.2
161.02408	2.7
163.03941	3.7
164.04352	1.2
165.14134	0.7
171.02907	0.8
173.04510	28.6
173.06023	1.4
174.04877	2.0
177.01891	8.7
178.02556	1.0
179.03447	3.7
191.05582	100.0
192.05920	5.4
193.04912	1.5
195.02959	13.9
223.04529	1.7
230.96019	0.8
369.08209	23.9
370.08618	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	369.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.0
60.99181	1.7
67.01770	4.2
68.98227	0.8
69.03348	1.1
71.01274	2.9
71.44109	0.9
72.99234	0.7
81.03345	1.3
82.39040	0.6
83.04877	0.8
85.02842	9.9
85.68288	0.5
87.00774	7.3
89.03827	0.6
92.84723	0.6
93.03358	27.7
94.03687	0.9
95.04945	0.9
99.00824	1.1
99.71734	0.9
105.03368	1.9
109.02850	2.0
111.04402	4.1
117.80224	0.7
121.02867	1.4
122.03619	1.1
123.04442	27.7
124.04789	1.0
125.02369	0.9
127.03931	2.9
129.01865	0.9
129.21475	0.6
133.02870	13.9
135.04414	0.9
137.02425	1.3
149.02351	2.2
151.03976	4.1
153.01883	0.6
154.02635	0.8
155.03442	1.5
173.04518	24.0
173.06032	1.2
174.04868	1.4
177.01898	11.4
191.05579	100.0
192.05907	6.7
193.06047	0.7
195.02966	12.5
204.80704	0.6
215.05606	2.2
230.92500	0.7
250.23940	0.7
351.07294	2.7
369.08292	22.8
370.08630	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	367.265
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
53.23097	0.7
58.44210	0.8
59.01258	2.6
71.58039	1.0
76.75477	0.7
83.56874	0.7
88.72654	0.7
92.72446	0.7
130.76900	0.7
133.06523	9.3
134.06921	1.0
149.09669	79.1
150.09999	3.9
161.46709	0.8
162.59105	0.7
194.09515	1.3
205.15985	44.7
206.16319	2.7
222.74651	0.9
295.17099	3.0
328.16968	1.8
348.75705	0.8
367.26501	100.0
368.22650	1.2
368.26849	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	367.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10301	0.2
57.03341	3.0
57.26563	0.2
59.00991	0.4
59.01267	4.5
62.22330	0.2
69.03320	0.3
69.41779	1.5
71.01263	0.6
71.80415	0.2
73.02827	0.4
78.95796	0.3
83.04918	0.4
85.02827	0.2
85.06489	0.3
87.00761	0.3
89.02305	0.3
91.03939	0.4
93.03344	0.4
95.04928	0.2
97.06493	0.6
98.20507	0.5
101.02374	0.3
109.06477	0.6
113.09635	16.3
114.09964	0.7
133.02867	1.1
135.04448	0.7
135.11737	0.5
139.11191	1.2
149.09645	0.4
155.10803	0.2
161.02365	0.7
161.04495	0.5
167.10770	1.7
173.04471	0.4
177.01872	0.3
177.12775	1.1
179.03441	0.4
179.10722	1.9
191.05562	0.6
195.13858	2.3
195.17650	0.2
215.84447	0.3
249.22279	2.2
275.20148	0.4
293.21292	100.0
294.21619	12.0
307.10434	1.0
323.26138	0.2
335.07642	0.5
367.24936	0.6
381.20883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44180	0.2
59.01270	4.6
71.01273	0.5
71.89894	0.2
93.03351	0.3
101.02371	0.3
110.88395	0.2
116.10377	0.2
117.03411	0.3
119.04923	0.8
121.02900	1.0
134.03659	0.7
135.04454	0.8
136.75946	0.3
147.04483	1.8
148.05240	100.0
149.05568	5.5
163.03978	5.9
163.07596	78.7
163.10390	0.4
164.04419	0.4
164.07927	4.7
185.11865	0.5
187.03951	0.3
193.05019	0.6
205.05052	0.7
258.52435	0.3
258.88364	0.3
367.21317	3.6
368.10919	0.4
368.21408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33046	0.7
55.01770	4.9
57.03339	4.5
58.00498	2.4
59.01265	39.3
67.01788	2.0
69.03352	1.7
70.50533	1.6
70.50899	1.2
71.01271	66.5
71.04912	1.1
72.01617	1.4
72.99184	4.3
73.02837	30.6
75.00800	2.1
78.95837	1.0
81.03367	1.3
83.01276	13.8
83.04926	1.6
84.72426	0.8
85.02840	32.1
87.00774	6.9
89.02338	22.3
89.03863	0.8
93.03362	12.2
93.78337	0.8
95.01277	5.4
95.27614	0.7
96.96881	1.6
97.02869	2.4
98.69595	0.6
99.00777	11.2
101.02345	69.5
102.02702	1.7
111.00797	2.3
111.04448	3.2
113.02357	28.1
114.02717	0.9
115.03957	1.8
117.03393	4.0
118.03754	0.7
119.03408	5.5
119.04922	1.1
121.02892	1.7
123.04535	0.7
125.02354	3.9
129.01855	2.5
131.03455	3.2
134.03667	46.3
135.04065	2.5
136.92691	0.8
137.02364	1.4
139.03957	1.7
143.03429	3.4
149.02425	3.5
149.04504	2.1
149.06023	3.0
155.03412	1.3
159.02913	4.0
159.76404	0.7
161.04510	25.2
162.04866	1.1
163.03851	0.9
167.67340	0.6
173.04520	7.8
179.05640	1.7
182.70784	0.7
184.66267	0.8
191.05588	41.2
192.05922	1.9
193.05034	52.8
194.05354	1.9
205.03484	1.2
205.08858	1.4
205.14421	2.9
233.06683	2.8
233.88239	0.8
235.11887	93.4
236.12231	6.2
243.47569	0.8
279.10870	1.4
367.10651	5.0
367.16080	100.0
367.19705	7.2
368.16422	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	367.1404
Annotation	2-Phenylethyl-2,6-diacetyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.11220	0.7
55.01765	1.6
57.03341	1.8
58.00488	1.0
59.01263	100.0
60.01587	1.8
69.03359	0.9
71.01269	40.3
71.42395	1.5
72.99197	1.5
73.02830	14.5
73.03245	0.7
75.00764	1.0
78.95797	7.1
79.84064	0.6
83.01277	5.9
84.25539	0.6
85.02843	13.4
86.00019	1.0
87.00772	13.9
87.01273	0.9
87.04395	0.7
89.02332	16.8
91.05433	6.2
93.03394	0.8
95.01306	2.1
96.96871	5.7
97.02860	0.8
99.00813	2.5
101.02342	22.1
101.03007	1.2
101.50848	0.7
107.02441	1.4
113.02350	10.7
119.03410	3.1
125.02384	1.2
128.73798	0.6
129.01898	0.9
143.03485	2.7
145.06496	4.4
147.08102	1.3
159.02913	0.9
160.71077	0.6
161.04546	3.3
161.06041	2.2
163.07590	31.6
164.07965	2.1
168.55423	0.6
173.06044	1.6
175.07620	1.4
187.07635	1.4
191.05579	0.9
203.07202	0.9
205.08780	2.0
217.08856	1.0
233.09535	2.9
235.09732	3.4
247.09776	1.2
302.60986	0.7
307.11996	14.6
308.12332	1.7
325.12970	48.8
326.13254	3.9
367.14069	12.9
368.14331	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87992	1.5
55.72750	1.8
57.03328	1.9
59.01271	18.2
60.99203	1.5
67.01775	6.8
69.03342	2.7
69.23959	15.7
69.24366	3.5
71.01266	6.1
72.99189	2.0
78.95798	69.0
81.03365	1.6
83.04926	3.2
85.02843	5.9
87.00775	6.1
93.03360	38.8
94.03717	2.2
96.95912	2.8
96.96867	15.4
101.02341	2.4
102.98509	6.4
111.04446	7.3
113.02377	2.2
117.03403	6.6
119.04935	5.8
121.02881	14.6
125.04248	2.7
129.01836	2.4
134.03650	39.0
137.02388	4.6
145.02917	6.5
147.57022	2.0
149.06042	3.0
152.99521	1.9
155.03473	6.6
161.02434	2.0
162.03169	5.2
163.03955	7.4
169.03284	2.5
171.00600	7.2
171.04739	2.1
173.04518	100.0
174.04878	3.9
177.05545	10.7
181.05051	5.0
189.40695	1.6
191.05585	57.7
192.05913	5.1
193.05048	31.6
194.05334	1.8
203.02136	10.1
213.05417	1.7
222.06898	5.8
234.07178	2.5
235.07651	2.3
237.05713	2.0
238.06459	8.3
241.05188	8.6
242.05804	7.4
249.05679	4.8
250.06349	6.4
251.07060	2.3
265.05066	3.7
266.05902	13.5
277.05118	6.0
278.05905	51.4
279.06451	12.7
281.04916	1.6
281.08292	6.1
291.06638	3.1
292.07532	6.0
293.08163	3.5
294.05399	7.3
305.04605	3.7
306.05405	33.7
307.06174	27.8
307.09985	3.5
308.06747	3.4
309.07880	2.7
320.07001	10.0
321.07727	93.1
322.04886	9.4
322.08466	25.8
323.09122	3.3
335.09311	15.2
336.10120	72.6
337.07257	61.0
337.10892	24.8
338.07617	7.9
338.11252	2.3
351.08725	11.1
352.09549	36.6
353.09879	3.9
358.11404	8.5
358.61597	3.7
367.11884	60.6
367.15390	4.4
367.21323	5.0
368.12134	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	367.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.2
59.01257	2.1
60.99189	2.2
60.99457	0.6
67.01777	6.7
69.03339	2.1
71.01262	2.5
71.03986	1.1
78.25564	0.4
81.03349	1.5
83.04914	1.2
85.02840	6.6
87.00771	8.9
89.03857	0.6
93.03358	36.8
94.03683	1.7
96.95926	0.5
99.00783	1.1
99.04419	1.1
101.02399	0.5
101.05975	1.6
109.02873	1.2
111.00802	2.3
111.04443	5.6
111.72929	0.4
113.02332	0.6
117.03384	2.3
119.04993	0.7
127.03982	1.0
129.01851	0.9
134.03673	18.4
134.82762	0.5
135.04037	0.7
137.02409	1.0
143.30449	0.4
149.06056	0.8
155.03432	1.4
160.01651	0.6
163.03943	1.2
171.03020	0.7
172.15741	0.4
173.00951	1.0
173.04520	22.8
174.04863	1.0
175.03947	0.5
178.02534	0.4
191.05592	100.0
192.05917	4.2
193.05035	8.7
193.26181	0.5
203.05838	0.5
229.45848	0.5
367.10410	9.0
367.14600	0.7
368.10791	0.8
387.69434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57915	0.4
57.03329	1.6
58.18645	0.5
59.01261	8.6
60.99190	6.7
62.79464	0.5
67.01774	15.3
67.47405	0.4
69.03341	5.3
69.50079	4.1
71.01266	5.4
72.99198	0.6
77.98965	0.5
81.03369	3.0
82.07348	0.4
83.04916	2.2
85.02845	2.1
87.00230	1.0
87.00769	22.0
93.03355	100.0
94.03687	3.0
97.02879	0.7
99.00776	1.7
99.04412	1.6
101.02361	1.2
109.02864	1.4
111.00785	3.0
111.04427	13.7
113.02372	1.7
115.03926	0.9
121.02908	0.7
129.01859	3.3
134.03662	27.3
135.04015	1.3
137.02353	1.6
139.03955	0.7
143.03461	0.8
149.02274	0.8
149.05988	1.6
155.03455	3.3
163.03912	0.8
173.04503	63.6
174.04848	2.5
176.92236	0.4
178.02672	1.6
191.05589	10.2
193.05013	12.3
194.05299	0.9
257.75351	0.5
367.10403	50.7
368.10721	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	367.1042
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
57.03347	0.4
59.01269	2.5
64.79105	0.3
67.01788	0.6
69.03340	0.6
71.01280	1.2
71.57594	0.4
71.58031	0.4
73.02847	0.3
77.44810	0.3
81.03343	0.7
83.04935	1.0
85.02824	1.5
87.00797	1.8
89.02351	0.3
89.03870	1.8
93.03360	5.6
96.96871	0.9
101.02383	0.5
109.02869	0.3
111.00769	0.4
111.04410	3.0
117.03374	8.9
121.02877	0.9
121.13975	0.3
122.03715	0.6
127.03915	0.5
129.01872	0.8
133.02853	0.4
134.03668	82.6
135.03996	4.2
137.02408	0.9
139.03967	0.8
143.03494	0.3
149.02386	2.0
149.06029	5.8
155.03470	3.2
156.28893	0.3
163.03981	0.3
173.04514	6.3
174.04735	0.3
175.06152	0.5
177.01788	0.3
179.05634	0.3
187.06070	0.5
187.10797	0.3
191.05592	8.0
193.05046	100.0
193.49287	0.4
194.05388	5.8
249.06496	0.4
277.61877	0.3
280.07861	0.7
295.05753	0.3
367.10428	8.5
368.10962	0.8
387.11169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1043
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
55.39279	0.3
57.03339	0.4
57.40386	0.3
59.01260	2.7
67.01793	0.6
69.03345	0.4
71.01266	2.0
71.07526	0.3
71.07877	0.6
73.02834	1.0
79.81143	0.4
81.03368	0.7
83.04926	1.3
84.60552	0.3
85.02843	2.0
87.00766	1.7
89.02374	0.5
89.03869	1.9
93.03361	6.4
93.03932	0.6
99.00787	0.3
101.02351	1.9
111.04419	3.2
113.02385	1.0
117.03383	9.4
121.02894	0.4
127.03905	0.7
129.01854	1.1
134.03665	98.9
135.04010	4.9
137.02380	0.5
148.22458	0.3
149.02374	0.4
149.06018	8.1
150.06302	0.3
155.03455	3.7
161.04483	0.9
173.04523	5.9
178.02774	0.4
191.05588	17.3
192.06007	0.5
193.05037	100.0
194.05351	5.5
235.11873	2.5
361.90820	0.3
367.10370	9.0
367.16034	2.1
368.10684	0.9
387.68530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
59.01261	1.0
60.99195	1.9
61.67287	0.1
67.01781	4.1
69.03355	1.1
70.91756	0.3
71.01274	1.8
73.02807	0.2
75.69086	0.2
81.03350	0.9
83.04919	0.9
85.02846	3.5
87.00775	7.8
89.03869	0.2
93.03362	28.8
94.03694	1.0
99.00803	0.7
99.04427	0.8
101.02364	0.1
109.02877	0.5
111.04433	5.0
113.02347	0.5
115.03941	0.2
117.03372	0.9
127.03929	1.0
129.01880	1.2
134.03674	9.7
135.04015	0.4
137.02383	0.5
139.03993	0.1
143.03435	0.3
149.06023	1.1
151.30104	0.1
155.03447	1.0
160.01724	0.3
171.02959	0.3
173.04529	13.0
174.04871	0.5
175.03967	0.7
178.02704	0.2
191.05597	100.0
192.05936	4.2
193.05052	6.8
194.05396	0.5
230.84200	0.1
367.10431	4.6
368.10727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.5
60.99176	0.3
67.01775	1.1
69.03364	0.4
71.01273	0.9
71.36881	0.3
73.02834	0.4
79.97718	0.2
81.03324	0.3
82.13078	0.2
83.04913	0.4
85.02843	7.8
86.03184	0.2
87.00771	2.2
93.03361	6.0
94.03675	0.2
99.00747	0.2
99.04404	0.4
109.02847	0.8
111.04440	1.3
117.03402	0.2
127.03941	2.1
129.01791	0.2
134.03659	3.3
135.04062	0.2
137.02350	0.3
149.02408	0.2
149.05992	0.2
153.01918	0.2
155.03444	0.4
160.01611	0.5
171.02951	0.5
173.04509	2.7
173.05981	0.2
175.03979	0.3
191.05582	100.0
192.05913	4.2
193.05043	1.4
265.15030	0.2
297.55029	0.1
322.83389	0.2
367.10382	2.2
368.10895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.0
59.01265	3.2
59.33164	0.3
60.99190	1.9
67.01778	6.1
69.03346	2.0
70.95888	0.6
71.01283	2.8
73.02827	0.6
81.03352	1.5
83.04923	1.6
85.02843	7.2
87.00774	8.5
89.03865	0.4
93.03364	35.8
94.03690	1.3
96.36029	0.3
99.00782	0.8
99.04404	0.6
99.47263	0.3
101.02380	0.4
109.02877	1.0
111.00797	0.5
111.04428	4.9
113.02343	0.5
117.03402	1.8
119.04936	0.5
127.03954	1.5
128.87375	0.3
129.01875	0.8
134.03671	19.4
135.04039	0.9
137.02338	1.0
143.03455	0.3
149.06021	1.1
155.03462	1.0
160.01576	0.7
171.02908	0.4
173.04520	15.6
174.04823	0.8
174.93045	0.3
175.03993	0.5
178.02675	0.6
188.91164	0.3
191.05592	100.0
192.05922	4.6
193.05052	5.8
194.05368	0.4
307.73154	0.3
367.10474	6.0
368.10706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1042
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
57.03339	0.2
59.01266	1.3
67.01778	0.4
69.03321	0.2
69.31007	0.3
69.31433	0.6
71.01283	0.7
73.02836	0.2
78.95810	0.1
81.03344	0.3
83.01267	0.1
83.04920	0.9
85.02841	0.9
87.00767	0.7
89.03860	1.9
93.03365	3.4
94.03703	0.1
97.02878	0.1
99.04390	0.1
105.03421	0.1
106.04150	0.4
109.02859	0.3
111.04433	3.0
111.05215	0.1
117.03382	9.1
118.03696	0.4
119.04964	0.2
127.03982	0.4
128.45465	0.1
129.01872	0.4
133.02905	0.2
134.03668	88.7
135.03999	4.0
137.02379	0.7
149.02379	0.2
149.06033	6.6
150.06369	0.4
155.03456	3.2
156.03792	0.1
161.02478	0.2
163.07565	0.1
173.04524	5.6
174.04858	0.4
178.02701	0.4
191.05592	7.2
191.42239	0.1
192.05963	0.3
193.05042	100.0
194.05374	6.6
199.13365	0.8
200.97874	0.1
240.84401	0.1
295.43930	0.1
307.11765	0.2
325.12943	0.2
367.10437	7.9
368.10812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1042
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
56.26341	0.2
57.03340	1.1
59.01266	5.1
60.01578	0.3
60.99180	0.6
61.01687	0.5
65.52338	0.2
67.01778	4.7
69.03345	1.0
69.64036	1.5
71.01270	3.4
73.02830	0.5
75.00774	0.2
78.95783	0.6
81.03337	0.9
83.01243	0.2
83.04929	1.1
85.02844	2.6
87.00764	0.8
89.03853	0.5
93.03359	27.1
94.03688	1.1
96.38844	0.2
96.95902	0.6
97.02841	0.2
99.00786	0.4
99.04417	0.3
101.02341	0.4
109.02850	1.1
111.00793	1.0
111.04427	4.9
112.04759	0.3
113.02351	0.4
117.03385	2.3
118.03741	0.2
121.02824	0.2
127.03928	1.0
129.01813	0.3
134.03667	27.0
135.03923	1.3
137.02386	4.5
149.06030	2.5
155.03439	4.4
173.04510	100.0
174.04848	3.9
177.21973	0.2
178.02591	0.3
179.03343	0.3
191.05588	18.0
192.05986	0.8
193.05035	21.8
194.05405	1.3
241.04665	0.2
250.06422	0.4
278.05890	0.6
279.06430	0.3
306.05276	0.4
307.06250	0.3
321.07767	1.5
322.08368	0.5
336.10300	1.1
337.07227	0.8
337.10812	0.4
338.07791	0.3
352.09628	0.7
367.10516	4.3
367.21457	1.9
368.10913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2706
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01271	5.6
69.97156	0.4
77.01949	0.4
84.06351	0.4
85.06487	1.9
179.00272	0.4
199.13376	1.1
225.22256	0.5
229.15807	0.5
261.18665	1.0
279.19724	15.8
280.19986	2.2
302.13184	0.5
347.26047	7.2
348.26321	1.0
365.27054	100.0
366.27386	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	365.2704
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
55.01767	0.7
59.01261	2.6
63.49626	0.2
69.54832	1.4
69.55230	0.6
71.01273	0.5
71.04910	0.3
81.36169	0.3
83.04902	0.5
88.02461	0.2
89.02328	0.3
93.72897	0.3
97.06485	0.5
101.02403	0.3
110.95351	0.3
114.08878	0.3
116.77282	0.3
137.06056	0.3
153.12752	0.7
155.14326	0.8
161.09601	0.3
163.11269	0.6
165.12804	2.6
181.12338	1.4
199.13383	29.8
200.13773	1.6
228.18411	0.3
333.29330	0.2
347.25992	4.8
348.26251	0.6
363.25482	0.4
365.27032	100.0
366.27380	14.8
366.32104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2342
Annotation	Dendronpholide C
Peak:m/z	Relative Intensity
57.03323	1.7
59.01265	20.8
61.98708	2.5
69.03351	1.1
71.01258	1.4
73.02834	1.1
79.22440	0.9
80.30991	0.8
81.03345	3.6
85.02830	1.4
87.00777	0.9
87.04435	0.8
89.13062	0.8
95.04904	1.8
97.06493	3.0
98.20665	1.6
108.74325	1.0
109.06509	4.7
111.08036	1.2
113.06019	1.1
118.57133	0.8
121.06515	1.5
123.08044	1.7
124.01617	1.2
127.07571	27.8
137.05965	2.6
145.10170	2.4
147.08060	2.8
147.11723	1.2
149.09650	2.2
161.09650	2.0
163.11238	52.6
164.11552	3.4
165.12794	8.0
189.09183	2.3
189.12720	1.8
201.02544	9.8
202.02785	1.7
233.19144	1.4
271.20724	41.4
272.20996	5.3
283.26437	1.5
289.21814	29.7
290.22119	3.0
303.54318	0.9
315.19681	1.1
319.22919	2.5
321.24420	6.9
333.20731	3.0
347.18539	1.5
347.22504	1.1
365.23395	100.0
366.19794	1.2
366.23843	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	365.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49194	0.5
57.03328	0.5
59.00994	0.8
59.01266	11.7
62.97124	0.5
69.03336	0.9
71.01269	1.6
71.04910	19.2
71.56523	0.6
73.02861	0.6
83.04911	0.8
89.02338	0.7
91.03924	0.6
96.95917	0.7
97.06490	5.9
101.02337	0.6
113.02297	0.7
119.03461	0.7
127.10662	0.5
135.04425	1.0
161.02376	1.5
161.04506	0.6
179.03302	0.8
180.00787	0.6
181.12271	1.3
195.13873	0.7
201.02560	1.5
205.12152	0.7
207.13889	2.4
217.16046	1.2
219.13931	2.8
235.16980	3.2
247.20720	1.4
273.18924	1.4
291.19730	100.0
292.20093	9.7
295.29886	0.6
365.19754	1.3
365.23633	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	365.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23286	0.5
59.01268	100.0
60.01626	1.3
64.68549	0.5
68.98116	0.6
69.11206	0.5
71.01270	1.0
72.99200	20.6
75.00764	6.5
78.95793	6.9
83.57104	0.5
87.00762	1.4
96.96880	4.3
99.00790	0.7
117.01894	1.6
135.02928	23.3
167.15918	0.6
191.01944	2.8
216.83952	0.6
233.09492	3.7
234.09865	0.8
235.10213	0.9
258.48624	0.6
285.13617	0.6
298.80051	0.6
301.84967	0.6
305.51358	0.5
365.18256	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	365.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49194	0.5
57.03328	0.5
59.00994	0.8
59.01266	11.7
62.97124	0.5
69.03336	0.9
71.01269	1.6
71.04910	19.2
71.56523	0.6
73.02861	0.6
83.04911	0.8
89.02338	0.7
91.03924	0.6
96.95917	0.7
97.06490	5.9
101.02337	0.6
113.02297	0.7
119.03461	0.7
127.10662	0.5
135.04425	1.0
161.02376	1.5
161.04506	0.6
179.03302	0.8
180.00787	0.6
181.12271	1.3
195.13873	0.7
201.02560	1.5
205.12152	0.7
207.13889	2.4
217.16046	1.2
219.13931	2.8
235.16980	3.2
247.20720	1.4
273.18924	1.4
291.19730	100.0
292.20093	9.7
295.29886	0.6
365.19754	1.3
365.23633	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	365.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.9
57.03343	4.6
58.00469	4.2
59.01265	97.1
60.01606	1.6
66.50792	0.7
67.16912	0.9
69.03343	1.7
69.41213	1.4
69.41623	5.2
71.01270	100.0
72.01604	2.1
72.99207	7.1
73.02839	20.8
74.98978	1.3
83.01294	7.8
85.02840	28.8
87.00775	18.3
87.04386	1.3
89.02339	80.9
90.02667	1.9
95.01279	5.3
96.96899	1.2
97.02840	2.2
97.06464	0.9
98.19801	1.6
99.00770	5.7
99.04404	1.8
101.02347	64.7
102.02671	1.7
103.03931	2.6
113.02359	39.0
117.03358	0.9
119.03420	36.3
120.03844	0.8
122.08479	0.8
125.02360	4.1
131.03459	4.2
133.02892	1.2
137.09644	1.0
143.03436	11.0
145.02853	2.2
149.04462	3.3
159.02937	3.8
161.04506	41.9
162.04828	1.7
173.72566	0.7
179.05562	23.5
185.11798	2.2
191.05615	0.9
192.48969	0.7
203.01962	1.3
203.12871	22.2
205.03532	1.4
212.37624	0.8
235.08252	1.3
305.08835	4.9
365.18243	47.8
366.18542	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	365.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65405	0.4
55.01775	0.8
57.03327	1.4
58.00474	1.4
59.01268	39.5
60.01599	0.6
60.25605	0.4
69.03345	4.7
71.01271	13.4
71.58100	0.4
72.99193	1.3
73.02831	2.1
81.03352	0.7
83.01281	3.0
83.04897	0.5
85.02854	3.9
87.00780	11.6
89.02340	12.3
93.03384	1.0
95.01301	2.3
95.04926	0.4
96.95924	0.4
97.02847	4.0
99.00800	1.0
99.04427	0.6
101.02355	11.1
104.75216	0.4
105.55558	0.4
109.00185	0.4
111.00797	6.7
112.01138	0.5
113.02365	5.5
115.00268	0.8
116.69618	0.5
117.10310	0.4
119.03428	4.9
119.04810	0.5
121.02875	15.7
122.03192	0.5
123.40589	0.4
125.02351	1.2
127.11223	2.8
129.01822	0.4
129.80370	0.4
139.03960	0.9
141.01897	4.8
143.03407	0.8
148.93221	0.4
155.10707	1.4
157.12294	13.2
158.12514	0.6
160.06387	2.2
161.04527	0.8
161.07135	2.8
171.13835	0.7
175.08766	0.7
179.03395	0.5
179.05588	0.6
183.02913	0.9
185.11884	2.0
187.13446	1.1
189.06720	3.4
191.05531	0.8
199.13359	1.5
199.77907	0.4
201.03987	3.8
201.10225	0.6
203.12906	36.4
204.13275	2.2
229.09850	1.9
235.13744	0.9
243.05156	1.0
245.13980	1.0
253.43633	0.4
305.06607	2.2
305.11490	4.6
306.11932	0.5
351.94006	0.4
365.09055	4.0
365.18243	100.0
366.18634	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	365.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80056	0.3
57.61974	0.3
59.01265	100.0
60.01596	1.4
64.02603	0.3
69.03343	1.1
71.01273	1.3
71.18407	0.7
73.02841	1.1
78.95823	0.9
83.01298	0.4
85.02847	1.1
87.00790	1.6
96.95951	0.7
97.02810	0.4
101.02329	0.5
113.02425	0.6
117.03390	1.2
119.04948	1.9
129.01839	0.4
133.02878	0.4
135.04442	0.5
145.02907	4.7
161.02434	0.5
163.03958	1.3
201.04080	1.3
202.85654	0.4
219.05060	0.8
263.15146	0.9
271.02402	0.5
291.20032	0.3
301.02771	0.6
303.19714	1.5
321.20740	7.9
322.21078	1.1
347.18304	0.6
365.08725	1.3
365.19781	15.8
366.20227	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	365.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22097	0.5
55.01769	1.1
57.03338	1.8
58.00477	2.7
59.01268	82.4
60.01595	1.0
67.01770	0.8
69.03345	4.3
69.57925	3.6
71.01274	39.9
72.99206	4.7
73.02858	2.0
75.00768	0.8
75.43396	0.5
78.95781	0.6
80.44537	0.5
83.01288	3.8
85.02850	10.5
87.00780	8.1
89.02341	44.3
93.03371	2.5
95.01292	3.9
97.02862	2.2
99.00789	1.6
99.04431	1.4
101.02351	31.0
101.05972	3.6
111.00785	0.7
111.04463	0.6
113.02365	17.4
115.00304	0.8
115.03891	0.7
117.03368	2.8
119.03426	20.3
119.04883	4.3
120.03752	0.6
121.02877	1.4
129.01822	2.6
131.03448	1.4
135.04466	0.9
141.01852	0.7
143.03456	1.8
145.02899	16.5
146.03273	1.0
149.04498	1.0
161.04579	2.9
163.03947	3.8
173.04501	1.5
179.03357	0.9
179.05600	3.2
185.00827	0.7
185.11885	3.6
191.05597	4.3
201.04044	1.3
203.01967	3.5
203.12889	5.1
219.05054	2.6
220.74394	0.6
305.16135	3.1
347.17227	1.8
365.09006	2.7
365.18250	100.0
366.09503	0.5
366.18604	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	365.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01610	0.8
61.48426	0.3
69.59370	0.6
69.59783	1.4
71.01276	0.3
72.56835	0.3
73.22476	0.3
77.41696	0.2
81.04462	0.3
85.02877	0.4
93.03387	0.3
97.02875	0.7
101.02357	0.3
119.04980	0.4
122.10711	0.3
163.04044	0.3
166.52643	0.2
200.34059	0.3
230.36407	0.3
347.18604	0.4
365.19727	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	365.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.4
56.35437	0.5
57.03325	3.0
58.00476	1.3
59.01265	56.6
60.01593	0.6
71.01269	23.8
71.01665	1.3
71.04903	1.3
72.99188	2.4
73.02840	2.9
75.06863	0.7
82.27428	0.6
83.01269	2.0
84.45675	0.5
85.02841	8.0
87.00763	1.6
89.02338	17.5
93.03392	0.8
95.01271	1.3
96.95901	0.6
97.02854	0.6
99.00751	1.5
99.04406	0.8
101.02351	14.4
113.02354	8.9
113.09621	5.8
115.07632	0.6
119.03411	7.3
119.04813	0.6
127.07583	1.7
131.03337	0.8
133.02881	1.2
135.04433	1.9
139.11215	1.8
141.12798	4.2
143.03436	0.8
157.12285	0.8
161.02423	4.0
161.04497	2.3
162.04805	0.6
163.03908	0.9
167.10690	2.9
179.05565	1.2
185.11797	46.3
186.12166	3.7
191.05527	1.2
191.07196	0.7
203.12894	3.3
205.08626	0.7
229.31995	0.7
260.53885	0.7
347.17139	6.6
365.08661	2.7
365.18213	100.0
366.18585	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.3
57.03324	2.5
58.00481	2.1
59.01266	54.1
60.01601	0.8
60.99194	1.2
69.03329	2.5
71.01272	31.9
71.04905	1.4
71.56561	1.5
72.99207	3.4
73.02830	2.7
75.00725	0.7
83.01286	2.7
83.04927	0.7
85.02849	9.9
85.06472	1.1
86.03211	0.9
87.00771	1.6
89.02339	24.4
93.03415	0.9
95.01277	2.5
96.74493	0.7
98.07048	0.7
99.00829	1.3
99.08040	2.5
101.01705	1.0
101.02350	19.2
113.02350	11.3
113.09645	1.2
113.14241	0.7
114.01842	0.7
114.02632	0.8
115.07554	3.8
119.03410	11.8
125.02364	0.7
127.07510	1.2
129.09134	2.4
131.03426	0.8
131.94481	0.7
133.02905	0.9
135.04463	0.9
139.11215	1.5
141.12776	2.1
143.03416	1.5
145.54431	0.7
151.00394	0.9
157.12306	1.1
161.02386	1.0
161.04550	5.2
161.05782	1.0
167.10706	2.2
179.05554	3.0
185.11803	29.1
186.12163	1.9
191.05658	0.8
203.12860	5.1
233.60402	0.7
321.20682	1.2
347.04123	3.1
347.17062	6.8
348.17740	0.9
365.18250	100.0
366.18536	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	365.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42966	0.3
55.01771	3.1
57.03337	3.6
58.00485	3.7
59.01264	69.6
60.01607	1.0
60.99185	0.3
62.13207	0.3
69.03348	4.0
71.01268	69.2
71.04926	0.4
71.17778	0.5
72.01604	1.3
72.99195	4.8
73.02834	12.2
73.03249	0.6
75.00759	0.8
81.03363	0.4
83.01277	7.0
83.04867	0.3
84.02087	0.4
85.02843	21.5
85.19821	0.3
85.23344	0.3
86.03178	0.7
87.00771	6.6
87.04407	2.2
89.02336	57.8
90.02682	1.0
95.01294	4.6
96.95912	0.9
97.02860	2.5
97.06487	1.9
99.00782	5.5
99.04400	1.5
101.02345	53.4
102.02711	1.3
111.00789	0.5
113.02354	30.7
113.05957	0.4
114.02682	1.2
115.03905	0.3
115.07539	0.9
117.03374	1.7
119.03417	27.6
119.04919	1.8
120.03733	0.5
124.83781	0.3
125.02341	1.9
128.53412	0.3
129.01903	1.6
131.03412	3.4
133.01352	0.3
135.04420	1.2
141.01881	0.5
143.03435	7.9
145.01819	0.6
145.02887	7.5
145.04050	0.4
146.03218	0.4
149.04489	2.5
159.02946	4.4
161.04503	31.7
161.74576	0.3
162.04825	1.3
163.03954	2.5
168.15018	0.3
179.03505	0.9
179.05577	17.9
180.05989	0.5
185.00841	2.2
191.05508	0.5
191.17700	0.3
200.45607	0.3
201.03987	1.4
203.01944	5.2
203.12880	11.3
204.13211	0.8
205.03453	1.5
209.12216	0.3
217.39566	0.3
219.05090	1.3
221.10184	0.4
277.07120	0.3
298.74091	0.3
365.08929	2.5
365.18234	100.0
366.18567	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	365.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
59.01263	100.0
60.01591	0.9
69.03337	1.7
69.53378	4.1
71.01270	1.3
73.02840	1.2
78.95798	1.0
83.04916	0.8
85.02859	3.0
87.00764	2.9
89.02335	0.6
96.95917	1.0
97.02863	0.7
98.19808	1.0
101.02365	0.9
103.77374	0.5
113.02359	1.1
117.03372	2.1
119.04935	3.2
123.08063	0.5
129.01880	0.7
135.04427	0.5
145.02898	8.3
151.11209	0.7
161.02422	1.4
163.04010	2.3
179.03468	0.7
191.05418	0.5
201.03935	1.1
219.05067	1.2
243.02991	0.5
267.07254	1.0
272.02780	0.7
275.64520	0.5
291.19543	0.5
299.02100	0.9
300.02396	1.0
301.03015	0.7
303.19742	2.7
321.20743	15.6
322.21021	1.8
347.07150	0.6
347.18835	0.7
365.08710	1.4
365.19733	29.5
366.20142	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.4
57.03332	0.8
59.01266	8.4
61.70515	0.3
61.96740	0.3
67.01772	1.4
68.99712	1.1
69.03322	1.2
69.66731	1.5
71.01273	5.8
72.99190	0.6
73.02843	0.9
83.01287	1.4
85.02845	6.5
85.99963	0.4
87.00768	2.5
88.16944	0.2
89.02333	4.0
93.03374	0.4
95.01276	1.5
96.95914	0.5
97.02848	0.5
99.00772	0.6
101.02356	4.3
101.05986	100.0
102.06324	3.0
109.02831	0.3
111.00790	1.9
113.02355	6.3
114.02680	0.3
115.00340	0.5
115.03912	0.3
119.03423	1.4
119.04932	0.7
119.42320	0.2
121.02901	0.3
129.01877	0.9
135.04486	0.5
137.07451	0.2
139.00275	1.3
141.01927	0.3
143.03432	0.4
145.02811	0.3
157.01347	0.7
161.04510	1.2
161.07098	0.8
163.03940	0.7
179.03419	0.4
179.05548	1.0
185.00934	0.4
185.11829	0.6
187.08807	0.3
189.03993	0.5
189.06673	0.7
191.05586	0.4
201.03925	0.3
203.01965	0.8
203.13005	0.5
205.07182	1.4
209.68201	0.2
214.53561	0.2
219.73001	0.3
229.09801	0.5
231.05058	0.8
263.07755	5.5
264.08145	0.3
281.08768	0.4
305.11417	1.1
305.16049	0.5
309.85394	0.2
333.11932	0.9
365.14511	27.9
365.18329	3.8
366.15051	2.0
366.18924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08665	0.2
55.01768	0.7
57.03128	0.2
57.03347	1.9
58.00473	0.6
59.01267	14.8
60.01599	0.2
67.01777	0.9
68.99706	1.0
69.03334	0.6
69.34633	1.6
69.35043	0.3
69.99020	0.2
71.01272	13.5
72.99198	3.9
73.02824	1.1
75.00766	16.2
81.03351	0.4
83.01279	0.8
83.04917	0.3
84.02092	0.3
85.02846	16.5
86.03174	0.3
87.00773	6.4
89.02337	3.6
89.50349	0.2
91.03886	0.2
92.14204	0.2
93.03326	0.9
95.00716	0.3
95.01293	4.0
97.02863	0.3
99.00784	8.9
101.02334	0.7
103.00285	1.8
109.02854	0.6
111.00787	0.8
111.04440	0.4
113.02362	20.9
114.02700	0.5
115.00293	1.8
115.07566	100.0
116.07910	3.7
117.01861	3.0
119.04926	0.4
127.03961	0.2
129.01851	1.5
130.80424	0.2
130.99753	0.2
131.03484	0.4
132.46280	0.2
135.04477	0.2
139.00291	0.3
145.02904	0.2
157.01387	0.8
173.04517	0.2
175.02449	3.5
179.03569	0.2
189.04079	0.3
191.05591	2.3
191.07184	0.3
197.34305	0.2
205.07193	0.7
223.08194	0.5
231.05162	2.1
246.43011	0.2
249.06192	16.9
250.06627	1.0
267.07245	2.6
268.07657	0.3
305.12476	0.6
321.20319	0.2
347.04272	0.4
347.13544	2.6
347.18091	0.3
348.14133	0.3
365.14600	82.2
365.72623	0.2
366.14944	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	365.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90873	0.8
55.01767	1.7
57.03338	80.0
58.00481	2.2
59.01267	100.0
60.01593	0.9
69.62579	6.0
71.01272	51.0
71.04934	1.2
72.99211	2.2
73.02837	13.4
75.00776	1.0
81.03357	1.4
83.01285	6.3
85.02844	20.6
87.00761	7.4
89.02338	39.7
92.74734	1.0
95.01300	3.7
96.95969	1.5
97.02863	0.9
98.19907	2.1
99.00784	5.9
99.04419	68.6
100.04746	1.7
101.02346	62.7
102.02658	1.7
111.00793	1.4
113.02360	25.3
115.03935	4.0
117.03291	1.1
119.03421	16.3
119.04980	1.8
120.52299	1.0
125.02372	19.2
131.03473	2.4
143.03474	6.9
145.02893	3.0
145.15909	0.9
149.04494	1.8
159.02937	2.5
161.04509	29.2
163.03944	1.7
179.05589	10.9
191.05557	1.5
192.84717	1.0
201.04031	1.4
203.12859	10.4
205.03528	1.6
221.10315	37.2
222.10684	1.9
249.06192	4.3
252.78011	1.0
263.11331	2.9
303.14636	3.1
352.41898	1.1
365.10675	2.6
365.14508	3.8
365.18372	21.8
366.19073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67050	0.7
55.01763	1.0
57.03338	100.0
58.03664	1.2
59.01265	79.9
60.96521	0.8
69.03323	1.0
71.00895	1.3
71.01268	13.4
71.56684	1.2
73.02842	5.0
77.70561	0.9
79.35149	0.7
81.03333	1.4
83.01290	2.7
85.02843	6.8
87.00777	7.8
89.02324	4.0
95.01244	0.8
96.95917	0.8
97.02829	1.7
97.33053	0.7
99.00771	1.8
99.04421	83.7
100.04755	2.7
101.02345	35.0
111.00787	1.2
113.02355	6.6
117.03370	2.5
119.03406	1.6
119.04953	6.2
125.02368	21.5
126.73931	0.8
129.01862	2.5
135.49898	0.9
143.03416	2.3
145.02893	20.4
146.03258	1.2
159.03058	1.0
161.04521	5.3
163.03951	6.0
179.05597	0.9
191.05815	0.9
201.04033	3.5
203.12903	1.0
219.05043	3.4
221.10315	37.1
222.10591	1.3
263.11444	4.7
303.14560	2.8
343.45538	1.0
365.08856	4.4
365.14474	7.5
365.18060	1.3
366.15012	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
56.27507	0.2
57.03335	1.8
58.00480	0.8
59.01265	13.1
67.01781	0.7
68.99706	0.7
69.03343	0.6
71.01270	13.0
71.57031	0.3
72.55013	0.2
72.99197	3.5
73.02851	1.3
74.32640	0.2
75.00762	14.4
81.03369	0.6
83.01266	0.6
84.02082	0.6
85.02843	15.8
86.03196	0.4
87.00772	5.8
89.02340	3.9
93.03366	0.4
95.01288	4.4
97.02864	0.6
99.00785	8.1
99.01437	0.4
101.02357	0.9
103.00298	1.7
109.02831	0.4
111.00822	0.7
111.04435	0.4
113.02358	21.1
114.02737	0.6
115.00274	1.8
115.07561	100.0
116.07895	2.9
117.01845	2.3
119.03459	0.3
127.07557	1.1
129.01877	1.2
131.03455	0.3
133.02875	0.5
135.04417	0.5
139.00276	0.6
157.01373	0.8
161.02399	1.6
175.02428	2.3
179.03423	0.3
179.05583	0.3
179.65578	0.2
188.57236	0.2
189.03983	0.4
191.05632	0.3
203.12939	0.6
205.07152	0.9
221.80386	0.3
231.05119	2.0
249.06178	15.5
250.06645	0.9
267.07242	2.1
305.12531	1.1
329.17899	0.4
347.13550	3.0
347.18600	1.3
348.13809	0.4
365.14594	76.7
366.14966	8.3
366.19684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.7
55.59074	0.2
57.03335	2.5
58.00480	0.9
59.01265	14.3
59.63987	0.2
63.45010	0.3
65.00227	0.2
67.01781	0.8
68.99689	0.9
69.03347	0.7
69.80537	1.7
71.01270	13.3
72.01584	0.3
72.30074	0.3
72.99201	4.1
73.02843	1.1
75.00764	16.1
79.70198	0.2
80.31098	0.3
81.23117	0.2
82.03362	0.3
83.01276	1.0
83.04917	0.4
85.02843	17.6
86.03172	0.4
87.00774	6.4
88.40189	0.3
89.02341	3.1
93.03362	0.3
93.94630	0.2
95.01290	4.4
97.02858	0.3
99.00777	9.3
101.02325	0.8
103.00280	2.0
107.01337	0.4
109.02861	0.4
111.00799	0.9
113.02361	21.9
114.02695	0.6
115.00307	1.5
115.07562	100.0
116.07896	3.4
117.01851	2.5
121.06303	0.3
123.00827	0.5
129.01848	1.9
131.03336	0.3
135.04489	0.5
139.00301	0.9
141.01915	0.4
149.02390	0.4
151.00310	0.7
157.01347	0.8
161.02444	0.4
163.03975	0.3
165.99046	0.4
166.99817	0.6
175.02458	3.1
178.99815	0.7
179.03426	0.5
189.04008	0.5
205.07155	1.0
215.03461	0.3
223.08240	0.6
231.05148	2.5
232.05508	0.3
243.02974	0.9
249.06183	18.1
250.06532	1.0
267.07275	2.8
271.02554	0.8
284.06451	0.4
287.02057	0.7
305.12396	1.0
315.01498	1.0
316.02298	0.4
321.20947	0.3
323.17490	0.3
329.03387	0.4
347.04260	3.2
347.13519	3.4
365.14587	93.9
366.14966	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	365.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00486	0.6
59.01268	47.4
69.03349	3.8
70.96217	1.9
71.01272	8.0
73.02839	6.0
83.01286	3.6
85.02859	2.0
87.00777	9.0
89.02348	1.4
93.03371	0.8
95.01284	0.9
97.02865	3.8
101.02345	2.6
111.00794	6.4
111.04427	1.2
113.02305	1.4
119.04912	0.9
121.02880	12.2
129.01848	1.5
140.30519	0.5
141.01898	4.7
145.07639	5.0
146.04802	1.1
159.05640	0.7
159.09238	2.1
160.06372	16.2
160.13019	0.5
161.07158	41.5
162.07478	2.3
163.03949	0.7
173.07208	0.7
173.10811	2.4
175.08727	27.4
176.09044	1.6
183.02875	1.0
183.09198	0.8
185.10809	1.7
187.08716	5.1
189.06682	54.6
190.07062	3.2
191.05602	1.0
199.08717	0.6
201.04044	2.3
201.10300	8.3
203.08257	23.3
203.11804	13.4
204.08517	1.6
204.12224	1.0
211.08765	0.6
217.09793	1.0
227.08437	0.6
229.09839	22.2
230.10155	2.0
231.07797	0.7
233.13031	0.6
234.43652	0.6
243.05219	1.1
245.09444	0.6
277.11951	6.5
287.10504	1.3
288.90942	0.7
305.07019	2.9
305.11508	100.0
306.11792	9.2
323.12686	3.3
329.80124	0.6
365.08807	3.6
365.13855	4.9
365.18298	6.6
365.22073	1.0
366.09930	2.4
366.14221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.2
59.01265	25.5
67.01785	1.2
69.03339	5.9
69.74200	1.0
71.01282	8.2
73.02817	1.7
81.03375	1.1
83.01284	3.3
85.02833	7.1
87.00774	5.9
89.02331	5.9
93.03380	1.8
95.01313	2.5
96.95899	1.4
97.02840	5.5
98.10742	1.1
98.96680	1.0
101.02375	4.6
101.05987	100.0
102.06327	2.2
109.02869	3.2
111.00800	4.5
113.02354	6.6
117.03409	1.2
119.03529	2.6
119.04945	52.9
120.05288	2.7
121.02864	4.2
125.89701	1.2
129.01881	1.5
139.00365	1.2
141.01884	4.2
145.02885	4.3
145.07617	1.5
160.06377	3.1
161.07195	6.6
163.03964	48.3
164.04291	3.4
173.10890	1.4
185.11775	2.3
189.06671	5.9
191.05629	2.8
201.04044	15.2
201.10371	1.4
203.11705	2.1
229.09781	5.4
231.05205	1.2
263.07773	4.8
305.11557	9.2
365.14493	28.4
365.18469	6.3
376.05966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.7
59.00989	2.9
59.01265	30.1
60.65368	1.7
69.03345	7.3
71.01275	8.5
71.09583	3.8
73.02840	2.2
75.15163	1.8
77.03867	3.4
79.64154	1.7
83.01272	2.8
85.02853	5.7
87.00786	12.8
89.02353	5.5
93.03367	6.9
93.85143	1.6
94.03785	1.7
95.04933	1.9
97.02875	5.0
101.02350	3.2
101.05998	30.1
101.14109	1.6
106.68114	1.7
109.02840	4.4
111.00797	7.1
113.02328	3.6
119.04945	100.0
120.05305	5.1
121.02858	6.4
127.78166	1.7
141.01881	7.0
145.02870	7.1
145.07710	1.9
147.04469	1.8
160.06366	4.5
161.07172	9.6
163.03961	92.0
164.04283	4.2
168.04192	3.8
168.54356	2.5
170.02098	1.9
173.04465	3.1
185.11874	3.4
189.06685	10.5
191.05560	20.4
192.05959	5.5
201.04039	33.6
201.10318	3.6
202.04355	2.9
203.11710	4.4
223.94926	2.1
229.09845	7.0
305.11542	12.2
331.80939	1.8
365.14401	7.5
365.18286	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.4
57.03330	3.0
59.01266	13.1
61.24340	0.4
61.83001	0.5
67.01793	0.6
69.03342	4.3
71.01272	7.0
71.17038	1.0
72.99186	0.5
73.02840	1.6
75.00759	0.6
83.01258	1.0
85.02840	6.2
85.27358	0.4
87.00773	33.6
89.02345	4.2
93.03371	1.8
97.02854	4.5
99.00770	1.2
99.04417	1.3
101.02341	3.9
101.06007	1.4
109.02842	0.9
111.00770	2.4
111.04452	0.6
113.02359	3.1
115.00290	0.9
117.03377	19.2
118.03716	0.7
119.03461	1.4
119.04945	26.9
120.05260	1.1
121.02890	1.2
125.02351	0.7
129.01863	10.3
135.04440	0.5
141.01852	1.0
143.03508	0.6
145.02890	100.0
146.03242	5.7
157.05016	0.6
159.02853	0.5
161.04523	1.1
161.05959	1.1
163.03961	28.0
164.04379	1.1
173.04532	0.5
179.05536	1.1
185.00876	0.7
191.05635	3.2
201.04021	17.2
203.01938	4.0
203.12906	1.3
205.05052	1.4
219.05107	10.9
220.05495	0.5
224.53004	0.5
235.06212	0.9
277.07230	3.5
357.74011	0.5
365.08838	21.5
365.18356	6.4
366.09164	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	365.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95317	0.6
55.01756	3.1
57.03342	3.6
58.00465	1.5
59.01265	34.4
60.62177	0.7
67.01768	0.7
69.03343	59.8
70.03659	2.0
71.01270	23.4
71.58646	1.3
72.99204	4.5
73.02835	2.9
75.00736	0.7
79.00557	0.6
79.01775	1.5
83.01266	2.4
85.02847	9.3
87.00764	5.4
89.02335	15.7
93.27634	0.6
95.01292	4.7
96.95942	0.9
97.02255	1.3
97.02853	23.6
98.03177	0.8
99.00780	12.1
99.04382	2.2
101.02344	14.0
101.05357	1.2
101.05980	15.4
111.00745	1.6
111.08018	0.8
113.02352	8.7
115.00289	2.2
115.03851	1.1
117.03393	1.3
119.03418	7.5
119.04937	2.1
123.00761	1.2
125.02374	1.2
129.01819	2.1
131.03404	1.0
131.28378	0.6
135.04453	20.3
136.04706	0.8
141.01881	7.6
143.03397	1.4
145.02879	4.1
147.46313	0.7
148.56161	0.8
159.02945	1.1
161.04510	2.2
163.03954	1.7
173.08179	0.9
179.03471	19.1
179.05272	1.4
180.03830	1.3
185.00894	22.9
185.11818	1.0
186.01163	1.3
191.05530	0.9
201.03854	0.7
203.01956	100.0
203.12852	3.5
204.02277	5.0
221.10066	0.8
251.10458	0.7
280.97342	0.7
285.81332	0.7
347.13190	0.8
347.17273	2.3
365.05130	1.9
365.14441	5.1
365.18304	44.2
366.18716	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	365.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	11.1
63.02285	2.7
65.00209	7.1
67.01780	2.5
68.99712	1.4
69.03351	5.5
71.01282	4.5
71.59162	1.2
72.99204	1.1
78.30518	0.8
79.01764	2.0
83.01289	4.0
85.02840	2.0
87.00771	1.0
89.02329	1.2
93.03368	1.5
95.01289	7.7
96.99216	1.9
97.02854	3.1
99.00780	12.3
99.74263	0.7
101.02361	2.0
107.01278	6.6
108.02126	1.1
109.02872	5.0
109.99994	6.2
111.00793	13.3
113.02385	2.7
115.07558	6.4
117.03407	1.4
119.04946	1.1
121.02894	2.4
123.00814	21.3
124.01564	4.0
124.98750	1.5
125.02397	4.1
133.02893	5.3
135.00806	1.0
135.04442	6.8
136.01614	1.6
136.98755	4.2
137.99503	1.6
139.00317	22.0
139.03918	4.9
141.01884	9.7
143.04959	2.7
145.02910	2.8
147.00821	2.0
147.04451	1.3
148.01587	1.1
149.02376	11.0
149.99535	2.7
151.00317	16.7
152.01091	4.1
153.01910	2.0
157.02948	1.8
159.04494	2.5
161.02405	12.6
163.00331	2.1
163.03984	1.7
164.01050	0.8
164.98218	4.7
165.99004	6.6
166.99828	20.9
168.00450	2.5
169.01401	3.0
169.02786	1.0
171.04475	5.8
173.02370	2.7
174.03149	1.2
175.00337	1.6
175.03970	2.6
177.01833	1.6
177.99098	3.1
178.99838	14.8
179.03476	5.5
180.00131	1.2
181.01437	1.0
183.04517	1.6
185.00888	2.0
185.02396	1.5
187.00380	4.4
187.03990	6.1
188.04424	1.1
189.01962	3.6
190.02626	1.1
191.03526	1.4
193.98518	2.5
194.99329	7.7
197.02473	2.4
198.03223	2.3
199.04002	8.9
201.01886	3.4
202.02629	1.5
203.01956	9.3
203.03545	2.6
205.01413	1.5
206.99371	4.9
208.00069	3.4
213.02010	2.5
214.02693	3.2
215.03471	11.6
217.01323	1.7
219.03026	3.4
222.98975	0.9
223.02515	1.7
225.01926	2.0
226.02771	1.1
227.03513	6.6
229.01430	2.4
230.02200	1.0
231.02925	2.4
238.01236	2.6
241.01424	2.7
242.02333	4.9
243.03000	16.3
244.03448	2.6
245.00952	4.1
245.04495	1.1
246.01701	2.4
247.02434	1.7
249.06140	1.3
253.01430	1.0
258.01715	1.8
259.02496	4.5
261.04120	3.1
269.01028	4.4
270.01730	4.9
271.02515	21.9
272.02988	2.8
275.06012	0.9
278.00552	1.3
284.06326	1.7
285.04135	2.1
287.02051	21.5
288.02634	3.1
289.03662	2.3
297.00510	1.6
298.01184	1.3
299.01672	0.9
301.03510	2.3
303.05380	0.9
314.00778	0.8
315.01566	42.9
315.05234	2.1
316.02060	6.2
317.02933	2.3
319.04782	0.8
329.03070	8.8
347.04160	100.0
348.04486	10.0
350.47842	0.9
362.67123	1.0
365.05029	9.3
365.08972	2.2
365.14581	3.8
365.19406	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	364.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42103	0.4
55.01781	0.4
59.01266	100.0
60.01606	1.3
69.03353	1.0
71.01270	3.7
71.04906	1.3
71.57999	0.6
72.01615	0.5
72.05247	0.5
73.02860	1.3
78.95827	0.5
81.03351	0.4
83.01274	0.5
85.02864	1.4
86.03204	0.4
87.00797	1.0
87.39368	0.3
89.02330	2.2
93.03341	0.4
96.95928	0.7
97.02860	0.5
99.00800	0.5
101.02377	1.6
109.02876	0.4
113.02399	1.4
115.07598	1.6
117.03390	0.4
119.03448	0.9
119.04965	1.2
121.02908	0.9
133.02910	0.9
135.04448	2.5
145.02925	1.1
161.02345	1.9
161.06097	0.5
178.48505	0.4
179.03525	2.0
183.10222	3.5
184.10600	3.8
185.00809	0.9
191.05632	0.9
194.12589	0.3
197.06236	0.4
203.12956	0.6
205.05000	0.4
224.70183	0.4
262.06891	0.6
284.06195	2.3
364.17023	2.8
365.14487	1.0
365.18436	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2548
Annotation	6-Acetylisoandalusol
Peak:m/z	Relative Intensity
52.86158	3.1
59.01258	13.5
61.98724	7.1
64.02064	3.2
70.32622	8.3
70.33012	7.9
83.72445	4.1
89.05258	3.7
89.73843	3.6
96.94553	3.4
98.19794	4.3
107.41602	4.1
118.93951	3.4
144.20161	3.3
281.23926	5.8
303.23364	100.0
304.23801	11.0
335.50739	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	364.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33855	1.6
55.89026	1.2
55.99302	1.4
59.01266	14.9
61.98719	92.5
63.02275	3.9
65.00204	4.8
71.01266	1.9
71.59382	2.0
83.01260	4.8
84.27029	1.7
85.02875	1.9
85.29995	1.3
93.03349	3.9
99.04370	1.3
101.02364	1.3
107.01303	10.8
107.68558	1.3
109.02857	2.4
111.00847	1.3
121.02872	10.4
133.02885	20.4
135.04462	11.9
139.03969	1.8
140.93759	1.7
147.95494	1.4
150.99144	2.6
151.00313	41.6
152.00623	2.3
161.02394	54.9
169.01414	2.6
178.99834	17.8
179.03455	9.8
193.17867	1.5
220.97945	1.3
301.03607	100.0
301.18271	1.6
302.04025	8.5
302.18268	2.0
314.03766	1.4
319.19370	1.7
345.16940	2.3
346.06418	5.5
346.17502	2.3
363.18332	5.6
364.18500	4.9
365.08801	26.2
365.19757	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	363.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76224	0.5
59.01262	5.6
62.53715	0.6
74.56210	0.5
77.90891	0.5
85.02826	0.7
85.52296	0.5
97.02858	9.4
97.06505	0.7
98.19722	1.2
109.02825	1.5
121.06481	0.6
127.07574	44.6
128.07860	1.6
137.02365	1.7
138.39091	0.6
145.02933	0.8
147.08049	1.0
150.85568	0.5
151.03922	0.7
161.09663	1.3
165.05533	2.7
165.09106	1.6
177.09222	1.0
185.91475	0.6
189.12788	1.0
191.07109	24.8
192.07457	1.9
203.14368	1.4
205.08696	17.3
206.09360	3.5
207.10237	2.7
209.08043	0.8
221.08241	2.0
224.10606	0.8
256.09677	1.1
269.19073	2.3
270.19373	0.7
285.18729	0.8
287.20108	0.9
313.18164	26.8
314.18494	3.9
345.20773	100.0
346.17172	1.0
346.21118	13.3
363.21857	72.4
364.22168	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	363.2185
Annotation	Cespihypotin N
Peak:m/z	Relative Intensity
53.74100	0.6
54.29505	0.6
59.01265	9.6
59.30241	0.6
63.25182	0.7
69.03357	0.8
69.79025	0.7
71.49459	1.5
83.04924	1.3
85.02824	0.9
90.69674	0.6
97.02856	14.5
97.06469	0.8
109.02872	1.6
123.08026	0.7
127.07569	52.9
128.07944	2.2
145.02911	0.8
146.07317	1.4
147.08092	1.2
161.09633	1.2
165.05537	2.8
165.09196	2.0
169.45819	0.6
173.02431	1.5
174.03175	14.7
175.03539	0.7
177.09229	0.8
187.89590	0.6
189.12807	1.5
191.07100	26.6
192.07477	1.6
203.14354	1.7
205.08691	17.9
206.09212	1.9
207.10236	3.3
221.08200	2.6
232.52864	0.7
245.60519	0.8
269.19183	2.6
285.18646	3.8
313.18164	53.3
314.18491	6.5
315.35086	0.7
319.22781	1.4
331.19150	0.9
335.22421	5.6
345.20767	88.8
346.21085	12.2
346.24960	1.2
354.62210	0.9
363.21924	100.0
364.22275	13.6
367.38419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1826
Annotation	Gibberellin A123
Peak:m/z	Relative Intensity
56.47804	0.6
57.03345	5.5
59.01270	5.6
62.56086	0.8
67.74263	0.6
69.37258	5.1
69.37669	0.9
71.04903	2.1
83.04923	2.0
92.56699	0.7
95.04914	1.0
97.06525	0.9
98.20612	1.4
107.04932	1.8
109.06543	1.7
120.99565	1.3
121.06512	3.2
123.08076	51.1
124.08400	1.9
126.45033	0.7
133.10164	15.1
134.10530	0.7
135.08080	4.0
141.57277	0.7
149.09648	3.7
151.11224	100.0
152.11540	4.8
161.09689	1.0
177.09093	1.6
195.10243	50.9
196.10612	2.8
209.11839	1.4
215.14169	0.6
239.09283	20.2
240.09604	1.6
245.19034	0.8
275.20212	1.2
301.18167	1.1
307.19080	0.7
319.19196	41.8
320.19614	4.6
325.20285	0.9
327.21603	0.9
363.18207	36.7
364.18539	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	363.1819
Annotation	Shinjulactone H
Peak:m/z	Relative Intensity
59.01264	3.8
62.31593	0.7
64.78573	0.7
69.03339	1.1
71.04913	0.7
71.44695	1.7
83.04911	2.7
85.02794	0.8
90.82297	0.7
95.04891	1.2
97.06487	1.5
98.10045	0.8
107.04909	0.8
109.06516	3.6
111.61073	0.7
121.06519	0.9
123.08082	1.6
133.06529	3.4
134.07317	1.6
135.08081	2.0
137.05989	1.6
137.09590	0.8
147.08069	1.9
149.09653	44.4
150.10016	1.3
151.11229	8.8
187.17584	0.9
203.14415	0.8
217.89388	0.8
224.00662	0.8
257.19232	6.7
275.20157	0.9
319.19211	29.1
319.23010	1.6
320.19592	2.8
327.21738	3.9
337.60336	0.9
363.18210	100.0
364.18570	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	363.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01611	1.0
60.66715	0.3
69.03330	0.4
70.12178	1.3
70.12627	0.6
71.01282	1.6
73.02869	0.5
85.02836	0.6
89.02362	1.4
93.03357	0.4
98.19900	0.5
101.02373	1.0
113.02367	1.5
126.04658	0.3
135.04413	0.6
164.07126	0.7
176.04045	1.1
186.12471	0.6
191.05594	0.5
229.14505	0.7
257.77686	0.4
298.58844	0.4
301.27469	0.4
330.55206	0.3
363.16763	1.1
364.18753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01605	1.1
69.03312	0.2
71.01254	1.0
72.99232	0.2
73.02835	0.3
75.50557	0.2
78.95793	0.3
85.02866	0.8
87.00783	0.3
89.02354	0.6
89.93568	0.2
93.03372	0.9
96.95909	0.3
97.02824	0.2
101.02368	0.7
113.02374	0.5
113.06048	0.2
119.03400	0.3
119.04965	0.5
159.10291	0.4
163.04024	0.3
164.32774	0.2
173.04497	0.4
183.10289	0.2
191.05598	2.8
192.05939	0.3
303.14783	0.6
321.15750	0.6
363.12701	0.4
363.17419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.2
57.03330	1.4
58.00477	2.5
59.01265	95.8
63.49520	0.9
69.03355	1.7
69.73170	3.4
69.73578	2.2
71.00895	1.6
71.01270	24.6
71.04906	23.7
72.99180	2.6
73.02833	2.9
81.03320	1.0
83.01274	1.4
83.04916	2.7
85.02843	6.6
85.13432	0.9
87.00737	1.3
89.02339	19.7
95.01273	1.9
96.95902	2.1
97.02843	2.1
99.00758	1.0
101.02354	16.0
111.08079	0.9
113.02351	8.9
113.05994	1.6
119.03408	9.2
119.08753	1.0
121.10141	3.7
135.04469	1.3
137.09586	0.8
139.11208	17.3
140.11641	0.8
151.00301	0.9
159.10190	3.1
161.02422	0.9
161.04369	2.0
165.09123	5.2
178.99843	1.7
179.05519	1.1
183.10233	100.0
184.10590	4.8
189.02003	1.2
191.05507	1.9
201.11230	1.9
217.01227	1.1
229.72073	1.0
249.06186	1.4
258.01718	2.6
285.00357	1.1
287.10364	1.3
297.61270	0.9
303.14651	2.8
345.02280	1.3
363.12671	1.4
363.16666	37.9
363.23563	2.0
364.16983	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	363.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12473	0.7
55.01768	1.1
57.03325	1.9
58.00504	1.0
58.95877	0.6
59.01267	28.8
59.05117	0.7
60.54635	0.6
61.98736	0.9
67.14742	0.7
69.03346	2.0
71.01274	19.2
71.04914	0.7
71.58082	1.9
72.99208	4.0
72.99544	0.7
73.02850	2.2
75.00748	1.2
78.95774	1.6
81.03371	0.7
83.01277	1.4
83.04945	0.7
84.80455	0.7
85.02847	6.2
85.06498	0.8
87.00790	2.1
88.39850	0.7
89.02343	13.0
95.01299	2.2
99.00791	0.7
99.04424	20.9
101.02356	12.3
107.08575	2.0
108.04468	1.4
113.02346	9.0
113.06028	0.9
117.03348	0.8
119.03429	6.4
119.04914	4.6
121.10162	0.9
123.03179	1.7
135.04445	1.8
136.07585	3.5
137.09682	0.9
138.05540	13.2
139.11227	2.5
143.04988	1.2
144.05737	5.1
145.02892	2.7
145.06546	1.2
152.99487	1.0
155.10733	0.9
157.06406	0.9
161.02362	1.1
161.04555	2.0
163.04007	6.7
171.04463	1.4
172.05244	6.6
173.04591	1.0
173.05977	3.8
179.05598	0.8
183.10236	36.6
184.10583	2.0
194.99391	0.9
200.04770	2.4
201.05565	30.5
201.11310	12.3
202.05902	1.9
214.12456	0.7
218.18027	0.7
227.08252	3.2
242.10675	2.8
245.04399	1.4
257.13019	25.3
258.13373	2.3
263.07748	2.6
271.72235	0.7
317.04712	0.9
325.52136	0.9
345.10721	3.4
363.11148	21.7
363.16702	100.0
364.11505	2.3
364.17035	10.5
375.16852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.2
57.03330	1.4
58.00477	2.5
59.01265	95.8
63.49520	0.9
69.03355	1.7
69.73170	3.4
69.73578	2.2
71.00895	1.6
71.01270	24.6
71.04906	23.7
72.99180	2.6
73.02833	2.9
81.03320	1.0
83.01274	1.4
83.04916	2.7
85.02843	6.6
85.13432	0.9
87.00737	1.3
89.02339	19.7
95.01273	1.9
96.95902	2.1
97.02843	2.1
99.00758	1.0
101.02354	16.0
111.08079	0.9
113.02351	8.9
113.05994	1.6
119.03408	9.2
119.08753	1.0
121.10141	3.7
135.04469	1.3
137.09586	0.8
139.11208	17.3
140.11641	0.8
151.00301	0.9
159.10190	3.1
161.02422	0.9
161.04369	2.0
165.09123	5.2
178.99843	1.7
179.05519	1.1
183.10233	100.0
184.10590	4.8
189.02003	1.2
191.05507	1.9
201.11230	1.9
217.01227	1.1
229.72073	1.0
249.06186	1.4
258.01718	2.6
285.00357	1.1
287.10364	1.3
297.61270	0.9
303.14651	2.8
345.02280	1.3
363.12671	1.4
363.16666	37.9
363.23563	2.0
364.16983	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	363.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.6
59.52340	1.3
61.95952	1.6
70.03234	1.4
70.03508	6.9
76.09258	1.3
78.95795	92.8
96.96864	82.1
102.01923	2.5
129.03058	1.4
139.52098	1.5
145.52097	1.2
207.04214	2.4
233.09497	100.0
234.09856	7.5
249.08896	4.8
363.13443	5.7
364.14963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01604	0.7
60.01908	0.3
66.06373	0.3
66.55316	0.3
71.40507	0.5
71.40843	0.6
73.02833	0.4
73.23618	0.3
78.95791	7.2
82.63394	0.3
86.13256	0.4
96.96864	5.3
98.87738	0.3
121.06527	0.8
121.77651	0.3
125.26999	0.4
131.02180	0.3
133.90134	0.3
170.08133	0.3
233.09496	8.5
234.09753	0.4
235.97287	0.4
259.13525	0.5
274.62152	0.3
289.13702	0.3
301.18106	0.8
302.39056	0.4
327.16312	0.4
345.17133	1.5
363.18219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79749	0.4
59.01266	100.0
60.01595	0.6
63.17475	0.4
71.01301	0.5
78.95795	12.4
79.90749	0.4
96.25292	0.4
96.96867	10.0
101.02370	0.4
107.01273	0.6
139.62091	0.4
147.04440	0.4
151.00362	3.0
152.01093	0.9
178.99884	1.3
233.09496	13.5
234.09903	0.8
242.02206	2.4
256.33960	0.4
270.01880	1.2
271.02484	3.5
282.01865	0.6
285.04135	5.2
299.02036	5.1
300.02631	1.1
301.18277	0.7
313.03534	3.6
314.04431	3.0
315.05194	1.2
319.19086	0.6
345.06223	16.4
346.06641	2.4
363.07233	2.4
363.14243	0.7
363.17813	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	363.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57959	0.7
59.01264	31.0
67.01760	1.2
69.03346	0.9
71.01265	3.4
71.04905	2.8
73.02834	1.7
75.00746	1.0
78.95792	73.1
83.04893	1.2
84.91641	0.8
85.02840	2.3
85.61306	0.7
87.00764	1.0
89.02345	1.1
96.96861	59.2
97.02846	2.7
101.02323	1.3
102.01884	1.4
104.43749	0.8
109.02833	1.0
109.06486	2.7
111.01928	1.5
117.03353	1.2
119.03384	0.9
121.06509	3.6
123.08054	3.6
129.02985	1.3
145.02844	1.8
151.07576	1.0
161.02238	1.0
163.03899	0.9
181.69571	0.8
201.11349	0.8
213.12746	1.8
233.09489	100.0
234.09801	7.1
249.08975	2.9
257.19122	2.5
259.13406	3.1
274.79279	0.8
283.17258	1.0
293.04260	1.5
295.02515	0.7
301.18195	4.9
319.19177	4.9
327.15891	2.1
337.03470	0.9
345.17105	10.7
363.13950	1.5
363.18195	20.5
364.18451	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	363.1308
Annotation	Pyridaben
Peak:m/z	Relative Intensity
55.01775	0.7
57.03345	3.2
58.00484	1.5
59.01268	28.6
60.01615	0.8
60.52971	0.5
65.65780	0.6
67.01792	0.7
68.99707	0.7
69.03349	1.1
69.51521	4.5
71.01272	20.3
72.99191	5.8
73.02840	2.3
75.00766	16.8
75.01192	0.9
76.27873	0.6
78.27624	0.6
83.01302	1.4
84.36533	0.5
85.02842	21.1
87.00777	9.5
89.02345	9.0
93.03400	1.3
95.01295	5.3
96.62756	0.6
96.95918	0.6
98.19873	1.1
99.00172	0.8
99.00782	12.4
101.02334	3.4
103.00288	2.1
109.02772	0.5
111.00861	0.7
113.02364	26.8
113.05997	100.0
114.02688	0.7
114.06351	3.8
115.00290	2.5
117.01847	2.8
119.03411	2.4
121.10184	0.6
129.01860	2.6
131.03369	0.9
139.00290	0.7
139.11230	0.6
152.75874	0.6
157.01288	1.2
159.10205	2.6
161.04492	0.7
168.22235	0.6
175.02434	3.1
191.05600	0.9
205.07176	0.8
208.20329	0.5
231.05147	2.6
232.05775	0.8
249.06189	26.8
250.06506	1.1
267.07281	7.8
303.11246	0.6
303.14529	0.8
321.15674	3.5
345.12036	2.6
363.13031	80.2
363.16888	5.6
364.13351	8.5
364.17502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.4
57.03337	1.1
58.35933	0.6
59.01265	15.6
59.64999	0.7
60.01619	0.8
60.41339	0.7
67.01793	0.8
68.99708	2.0
69.03337	8.6
69.71779	4.7
71.01268	11.6
72.01589	0.6
72.99213	2.5
73.02855	1.5
74.20544	0.6
78.95789	1.4
81.03319	0.8
83.01275	6.2
83.04923	1.3
85.02843	9.6
85.06416	0.8
87.00778	2.1
89.02331	8.3
93.03345	5.0
95.01282	27.5
96.95905	1.2
96.96859	0.8
97.02863	3.2
99.00780	3.5
99.04412	1.7
101.02324	4.6
108.02083	0.9
109.02847	1.1
111.00819	2.6
111.04400	0.9
113.02354	13.0
117.03364	12.8
119.04942	100.0
120.05256	5.0
121.02848	1.2
125.02340	1.2
127.03899	0.9
132.05728	1.4
133.02824	1.1
133.06502	2.9
135.04457	3.2
137.02327	1.3
139.11235	1.8
141.01862	1.0
145.02887	33.9
145.06505	1.1
146.03252	1.4
147.04434	1.1
149.02362	0.9
152.99536	1.8
155.03403	1.8
159.04433	1.2
161.02316	1.5
161.06004	8.2
163.03951	88.0
164.04305	5.0
171.04456	1.1
173.04503	10.6
173.05994	3.0
173.33286	0.9
175.03964	1.7
179.03433	1.0
183.10179	4.9
185.06042	2.7
187.03951	2.8
189.05536	10.7
191.03419	1.2
191.05580	1.5
200.04713	0.9
201.05545	3.3
201.11270	2.6
203.07123	7.2
205.04991	3.9
215.07179	2.0
217.03482	10.0
217.05040	0.9
227.07104	1.7
229.05040	6.5
230.05431	1.1
231.06606	0.8
245.04326	2.7
247.06110	9.4
252.03162	0.7
257.08209	1.2
257.12982	1.7
259.06207	3.8
267.07263	0.9
271.06180	2.5
275.09387	1.0
289.07263	1.0
301.07242	0.9
319.08295	10.1
320.08405	0.9
363.07486	3.0
363.12186	1.3
363.16708	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	363.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46994	0.8
59.01272	8.1
60.23497	1.0
63.02278	5.9
65.00212	11.4
69.03358	1.5
71.01285	3.7
72.99207	1.8
73.05051	0.8
78.95800	2.3
83.01275	9.6
85.02844	3.9
87.00769	2.0
89.02308	1.3
93.03334	1.3
93.69569	1.0
95.01308	1.8
96.96852	1.1
98.19749	2.1
99.00817	1.8
101.02330	1.4
107.01297	23.6
109.02912	4.2
111.00796	1.1
113.02377	3.4
114.06777	2.1
117.01803	1.2
119.01302	2.7
121.02901	2.0
123.00775	2.0
123.04441	1.8
124.01638	1.7
125.02386	3.2
129.01970	0.8
133.02885	3.1
135.00832	1.9
135.03000	1.2
136.01611	10.6
136.90289	0.8
143.04883	1.4
147.00830	8.0
148.01633	4.6
151.00317	72.1
151.03882	2.0
152.01074	4.6
157.02882	1.1
158.28877	1.0
159.04462	1.2
161.02391	1.3
163.00317	2.6
164.01147	1.3
167.03497	2.4
169.01407	6.0
171.04489	2.5
175.03969	2.2
176.04263	1.0
178.99840	49.9
179.03438	4.0
180.00233	2.5
183.04504	2.4
185.02470	0.9
187.00305	2.0
187.03967	2.4
189.02003	1.4
193.01421	1.2
195.03036	2.0
198.03094	1.0
199.04016	10.3
199.13396	2.0
201.01959	3.9
203.03508	1.0
203.18004	1.1
207.03084	1.1
211.03929	1.6
211.13408	1.9
213.01967	1.3
215.03658	2.0
215.11037	1.7
219.03001	1.2
226.02678	2.0
227.03479	9.1
228.04102	1.5
229.14493	2.7
231.03094	2.4
233.09770	1.6
233.12193	4.7
239.03558	1.3
239.10300	2.8
243.03023	12.2
244.03571	1.6
249.06294	2.8
255.02931	5.8
256.03723	4.1
271.02545	100.0
272.03149	17.7
273.03726	1.2
287.05621	2.3
299.02036	62.6
300.02780	77.0
301.03513	20.6
302.04001	1.5
303.12534	1.0
331.04660	83.9
332.05029	8.1
332.74207	1.0
364.13861	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	363.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92219	0.7
59.01261	17.5
63.02275	3.1
63.58578	0.8
63.82095	0.6
65.00219	2.3
69.98145	3.1
72.26443	0.7
73.70648	0.7
78.95792	4.8
83.01279	2.4
96.96879	4.6
98.42783	0.7
106.88071	0.8
107.01313	5.8
108.02125	0.9
123.04387	0.9
124.01615	0.9
134.27409	0.7
151.00307	22.3
152.01117	5.7
163.00204	0.9
167.03413	2.2
169.01369	1.4
178.99855	8.9
195.02872	0.9
213.01880	0.8
215.03430	0.8
227.03464	1.6
233.09441	6.4
241.05307	0.8
242.02229	16.9
243.02946	6.1
257.04523	1.1
270.01773	9.4
271.02524	26.7
272.02917	2.8
282.01816	4.0
284.03357	3.3
285.04102	35.8
286.04645	5.1
287.05225	1.1
299.02036	32.8
300.02603	6.9
313.03589	23.8
314.04330	17.3
315.04965	4.9
319.19470	0.8
345.06213	100.0
346.06531	11.8
363.07278	18.6
363.18146	1.0
364.07706	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12581	1.3
55.53176	1.2
59.01266	100.0
59.53262	1.1
70.73965	1.9
70.74303	2.1
78.95828	1.3
95.75463	1.1
100.80096	1.4
112.54322	1.3
154.35414	1.2
158.63820	1.5
168.41699	1.4
213.97546	1.2
265.46582	1.2
301.16522	1.8
361.23904	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	361.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13702	0.8
59.01264	100.0
60.01591	1.3
69.29755	7.4
69.30173	1.4
70.90852	0.9
98.19830	1.3
104.45655	0.8
107.12999	0.9
123.00778	1.2
153.34265	0.8
230.35747	0.8
361.23880	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	362.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
69.81656	6.1
71.01259	8.1
72.70180	1.0
78.95788	1.8
85.02840	3.0
87.00771	1.4
89.02346	4.6
95.01226	1.0
96.95927	4.1
96.96870	1.5
98.19823	1.8
101.02332	5.3
108.43218	0.9
113.02390	2.7
119.03392	1.5
140.07100	62.8
141.07475	1.8
145.05959	1.0
161.04581	2.1
172.12125	0.9
175.45374	0.9
178.24142	0.9
191.05585	2.9
201.11246	1.8
249.09143	2.5
264.83978	1.1
282.14325	1.3
302.12888	1.1
362.10068	8.9
363.09604	3.0
363.16769	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	361.2393
Annotation	Asperdiol acetate
Peak:m/z	Relative Intensity
59.01266	100.0
60.01606	1.0
70.02998	1.6
70.03362	0.8
82.88613	0.5
98.20491	0.4
128.33049	0.4
138.59653	0.4
152.71983	0.4
194.50902	0.5
301.21805	43.6
302.22125	5.6
308.92676	0.6
361.23932	76.0
362.24301	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	361.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26213	0.5
59.01265	100.0
59.98397	0.6
60.01612	2.0
67.00929	0.5
69.59192	2.7
71.04926	1.0
75.47382	0.4
99.04427	3.2
119.22902	0.5
121.30564	0.5
121.54106	0.5
175.82262	0.4
193.88701	0.5
239.72211	0.5
297.88156	0.5
301.16693	0.9
301.21777	14.1
302.22083	1.0
319.22827	23.9
320.23108	2.9
322.57797	0.5
361.23895	43.1
362.24222	6.9
365.50061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2395
Annotation	Flaccidoxide
Peak:m/z	Relative Intensity
59.01268	24.7
60.01604	0.3
69.02996	0.4
69.03348	3.8
69.49826	2.3
71.04910	0.3
99.04418	0.5
118.71322	0.2
125.57037	0.2
161.06334	0.3
190.41829	0.3
217.07222	4.8
218.07286	0.4
275.23898	1.8
285.13617	2.4
299.19818	0.3
301.16681	14.0
301.21799	5.7
302.16861	2.2
302.22076	0.4
319.22870	20.0
320.23160	2.0
361.23935	100.0
362.24283	15.8
374.09427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2392
Annotation	Gibberosene D
Peak:m/z	Relative Intensity
52.01506	0.4
53.94561	0.6
54.21414	0.4
59.01264	100.0
60.01595	1.4
69.03335	2.6
71.57846	0.8
80.67597	0.5
111.04413	3.0
135.76115	0.5
137.03638	0.5
165.59081	0.4
258.41046	0.5
275.23758	3.7
285.18600	1.1
301.21790	77.6
302.22137	8.8
317.21042	0.8
319.22916	2.7
361.23898	39.7
362.24319	6.0
363.21555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2393
Annotation	Gibberosene D
Peak:m/z	Relative Intensity
55.19061	0.5
56.91093	0.4
57.03341	1.3
58.40365	0.4
59.01265	63.5
69.52285	4.0
70.03780	0.4
70.25858	0.5
83.04900	3.0
86.50028	0.4
93.18682	0.4
98.19819	0.5
99.04401	2.9
111.04422	0.8
137.09657	1.6
138.03214	0.6
149.09616	0.8
152.99483	0.7
205.15782	0.6
257.19125	2.6
260.52850	0.6
273.22308	3.4
298.15814	0.5
301.21802	61.2
302.22125	8.2
319.22836	22.3
320.23151	2.6
320.85477	0.5
361.23923	100.0
362.24261	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	361.2395
Annotation	Asperdiol acetate
Peak:m/z	Relative Intensity
53.44470	0.4
59.01268	73.9
60.01601	1.1
61.98708	0.7
62.02994	0.4
82.51506	0.4
82.59084	0.4
86.81006	0.4
140.07127	0.4
145.05309	0.4
179.76564	0.5
203.14360	1.1
273.22318	0.9
301.21820	33.6
302.22131	4.2
319.22803	4.4
320.23068	0.6
361.23935	100.0
362.24234	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	361.2029
Annotation	Poststerone
Peak:m/z	Relative Intensity
56.08928	1.0
58.00484	7.8
59.01270	7.6
61.98709	1.2
69.03346	1.4
69.87423	5.9
71.01273	4.5
71.04906	25.0
72.99194	1.5
73.02840	63.0
81.03329	1.4
82.17495	1.3
83.04924	1.7
93.03337	1.5
95.04925	1.4
97.02851	7.8
97.06501	2.5
98.03679	1.1
98.19833	1.1
99.04425	9.7
107.04948	3.6
109.02859	3.7
109.06489	2.4
111.04401	3.2
121.06521	4.6
121.10140	7.4
122.03722	1.3
123.04439	1.5
123.08083	63.5
124.08399	1.6
125.09660	1.5
133.02850	2.5
133.10164	11.0
134.03676	2.8
135.04439	3.5
135.08125	1.8
137.02330	1.1
137.05978	2.3
138.03165	1.3
139.03951	7.6
145.10172	3.3
147.08099	1.4
149.09648	3.5
151.11226	1.3
159.08101	2.4
161.02361	4.7
161.09639	5.4
161.13278	1.5
163.07579	1.2
163.11183	2.4
167.10744	1.7
173.04507	1.5
173.09669	2.2
174.06830	1.3
175.07570	3.3
175.11249	2.7
177.09189	3.1
177.12770	1.6
179.10739	10.5
187.07645	1.1
187.11259	1.1
189.09190	35.3
189.12817	1.0
190.09596	3.2
191.05597	2.7
191.10718	1.1
193.03178	1.1
193.04976	1.3
193.08759	2.1
197.13403	1.0
201.09256	1.0
203.14401	1.9
207.10269	5.1
208.11031	2.1
215.14375	8.2
217.08780	5.2
217.15982	4.6
219.10263	1.5
219.13902	1.8
221.11864	2.8
227.14415	3.4
229.12378	1.1
231.13864	1.4
233.15469	6.8
245.15538	10.3
246.15797	1.1
259.13455	13.8
259.20840	2.2
261.15076	1.9
269.19131	2.5
271.13519	2.7
277.14520	21.6
278.14838	2.2
281.19107	3.5
285.18661	4.4
287.16702	9.5
288.16849	1.3
289.14572	20.2
290.14941	2.6
299.20193	9.7
300.20648	2.0
301.18243	3.0
313.18066	3.4
317.17697	2.9
317.21323	4.2
325.18073	2.2
333.20761	2.5
343.15518	1.2
343.19196	20.8
344.19501	2.8
361.16733	4.8
361.20294	100.0
362.20654	10.1
376.40543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05291	0.2
59.01265	100.0
60.01603	1.2
65.71145	0.2
69.39918	0.5
69.40320	1.7
71.01270	1.7
73.02850	0.6
74.31108	0.2
83.04927	0.7
85.02838	1.2
87.00776	0.3
87.98699	0.2
88.08287	0.2
89.02340	0.3
89.25037	0.2
89.65343	0.2
99.00788	0.3
99.08068	0.5
101.02358	0.8
106.59647	0.3
109.06501	0.2
113.02378	0.7
120.05656	0.3
121.06518	2.0
123.08106	0.7
127.11201	0.4
129.01915	0.3
133.03008	0.2
139.11232	0.3
147.08112	0.4
149.09650	3.3
149.10675	0.3
151.11263	0.8
157.12286	1.7
161.02425	0.8
161.04492	1.0
176.03989	0.2
179.03398	0.3
191.05606	0.6
193.08722	0.5
193.88055	0.2
241.01451	0.2
242.02411	0.4
261.68384	0.2
270.01675	0.5
271.02652	0.9
273.18814	0.7
299.02097	0.3
300.02872	0.2
301.03699	0.6
317.17648	1.3
329.03104	2.9
330.03494	0.3
361.05865	0.3
361.16583	6.5
361.25943	1.3
362.17108	0.7
366.25537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70485	1.1
53.19074	1.0
54.20224	1.0
57.03334	1.8
58.02865	9.9
59.01261	15.0
60.95350	0.9
60.95716	1.5
61.92631	0.9
67.01769	2.2
69.03333	1.9
70.34733	2.4
70.35126	2.9
71.01270	6.4
71.93420	1.1
73.02835	3.8
74.02367	21.0
80.04948	2.7
81.03373	1.6
82.02886	6.5
83.01274	4.5
83.04922	1.7
85.02831	6.9
85.03967	1.6
86.02405	1.1
86.06005	1.4
87.00766	3.6
87.02612	1.2
87.05508	1.8
89.02309	1.8
93.03358	12.8
94.03674	1.3
96.04450	10.4
97.02873	1.3
97.03977	10.4
98.02376	4.8
99.04484	1.5
99.05538	17.0
100.00320	3.2
100.03974	1.3
101.02330	5.2
104.04983	4.8
108.04456	10.3
109.03996	1.7
109.35532	1.2
110.02379	4.6
111.04404	5.6
112.03967	13.8
112.07587	11.2
113.02363	2.4
113.03480	8.8
120.04480	1.3
122.06055	7.7
124.03974	11.1
124.07661	1.4
125.03473	3.8
125.04769	6.8
126.05518	3.1
127.04106	1.9
127.05059	16.5
132.04463	1.5
133.01385	1.0
133.02876	3.0
133.06865	14.7
135.04454	2.4
135.05444	1.1
137.02347	1.3
137.07147	6.3
137.09566	1.0
138.05524	2.9
140.07111	19.6
143.03484	1.5
143.04564	4.9
146.04778	1.9
148.03986	22.6
150.04242	1.3
152.03506	5.4
155.08205	31.2
155.10719	2.0
161.07167	3.2
165.06657	25.6
166.05003	2.2
173.04529	7.7
177.01816	1.1
179.03429	1.3
181.06154	2.2
182.06035	1.7
183.07730	50.6
184.07922	3.3
191.05591	62.5
192.03004	12.4
192.05865	4.1
193.03333	1.3
197.08586	1.1
199.09769	1.2
209.05705	2.1
212.10805	11.1
213.10216	1.4
216.87914	1.1
220.82088	0.9
225.05023	2.0
225.06985	1.2
226.07489	2.7
227.06738	100.0
228.07097	5.3
239.08116	1.2
240.09132	3.1
255.11426	21.8
256.11783	2.7
273.12405	2.4
299.10550	1.9
319.21182	2.5
343.09421	15.3
344.09735	2.3
361.10294	7.3
361.14551	23.3
361.22134	1.5
362.10782	2.0
362.14944	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	361.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02857	6.9
59.01268	3.2
71.60075	1.5
72.99236	1.8
73.16833	1.1
74.02363	18.8
78.95795	61.9
82.02889	3.9
83.01290	3.1
85.03984	2.1
86.02347	1.4
87.05520	1.0
92.34960	1.1
96.04446	10.5
96.96866	52.5
97.03987	10.8
98.02402	3.9
99.05535	14.6
100.00321	3.5
108.04472	9.1
109.04018	2.8
110.02394	2.2
112.03964	13.5
112.07598	11.1
113.03540	7.5
113.04263	1.9
116.01714	1.3
122.06046	4.6
124.03963	9.9
125.03484	2.3
125.04778	3.6
126.04227	1.4
126.05518	2.9
127.05074	13.3
133.06853	15.9
137.07156	5.4
138.05527	2.2
140.07108	15.8
143.04585	2.8
150.04214	1.2
150.06268	1.3
152.03476	4.5
155.08206	26.9
156.08635	1.2
165.06656	20.9
166.05019	3.5
181.06235	2.3
183.07726	51.5
184.08096	1.7
225.05153	4.0
227.06749	100.0
228.07051	5.9
233.09499	60.9
234.09872	3.5
249.08987	1.7
319.21375	3.8
361.14679	25.0
361.22128	5.2
362.14926	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85520	0.6
58.02866	9.8
59.01264	4.5
68.82598	0.6
70.02880	1.0
71.01270	1.4
71.60085	1.2
72.04456	1.2
74.02364	21.6
78.95795	18.2
82.02452	0.8
82.02866	5.3
83.01274	2.4
83.04915	1.1
84.02070	0.7
85.03984	1.5
86.02386	0.8
86.06027	1.3
87.05517	1.0
88.56747	0.6
93.03373	1.9
96.04456	9.5
96.96866	16.1
97.03978	10.0
98.02374	6.4
98.61670	0.7
99.05544	17.8
100.00329	3.5
100.03914	0.7
101.02358	1.8
108.04465	8.8
109.03992	2.1
110.02385	3.8
110.06017	1.6
111.03144	0.7
111.04431	1.2
111.05540	0.7
112.03961	11.8
112.07596	11.8
112.27682	0.6
113.02312	0.8
113.03481	7.0
115.05044	0.8
115.34614	0.6
120.04468	1.0
120.57240	0.6
122.06036	4.9
124.03973	10.7
125.03514	3.9
125.04771	5.6
126.04263	1.5
126.05527	3.2
127.05053	13.8
133.04424	0.8
133.06854	13.0
135.04381	1.2
137.07146	6.2
138.05536	3.0
139.08730	0.8
140.07114	16.9
141.07365	0.9
141.88017	0.6
143.04584	4.0
150.04306	2.1
152.03510	5.3
155.08214	29.2
155.10765	0.9
156.08450	1.2
161.02390	0.7
165.06647	23.8
166.05034	3.1
166.07010	1.2
169.94485	0.7
173.04550	1.5
181.06169	1.8
183.07727	50.2
184.08047	3.0
191.05515	1.0
199.09698	1.6
225.05191	2.5
227.06741	100.0
228.07060	6.4
233.09502	19.7
234.09828	1.0
271.07263	0.9
301.20227	0.9
319.21152	3.6
361.10239	0.8
361.14490	19.2
361.22278	3.2
362.14734	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	361.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73912	0.9
57.03327	2.2
58.95449	0.8
59.01261	4.9
62.99178	0.8
69.72057	1.0
70.30578	3.6
71.01264	1.4
73.02833	0.9
79.95631	1.3
82.01945	0.9
83.04913	2.8
85.02857	1.5
87.00778	4.5
93.03345	4.7
95.04908	1.0
96.95911	50.4
98.15253	0.9
99.04449	0.9
111.04485	2.3
111.08073	1.4
121.06543	1.5
123.08092	8.1
139.07541	1.5
145.10182	1.1
151.07599	1.4
153.09157	1.3
171.11737	9.6
173.04515	1.6
187.06003	1.1
189.12798	4.6
191.05603	11.0
200.46939	0.9
201.12866	3.2
207.13863	1.7
214.96919	1.5
237.15001	10.4
238.15143	1.1
281.14001	15.1
282.14319	1.4
352.26602	1.0
361.09708	100.0
362.10022	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	359.2238
Annotation	Jolkinol D
Peak:m/z	Relative Intensity
59.01266	100.0
60.01601	1.1
69.08057	0.6
71.24861	1.3
75.68009	0.6
107.08315	0.7
112.34042	0.6
137.06053	1.0
257.04214	0.7
299.20215	30.2
300.20444	3.4
317.21307	2.0
359.22357	87.9
360.22675	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	361.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.9
57.03340	6.0
59.01251	4.1
65.03833	1.4
74.60693	1.0
78.57581	1.0
79.95034	0.8
79.95618	3.9
83.04909	6.9
87.00770	8.9
93.03374	1.2
95.04884	2.1
96.95916	71.2
98.20655	1.7
111.04411	2.3
111.08067	2.3
119.08556	1.4
121.06501	2.2
123.08083	17.5
137.05940	1.3
137.09651	3.3
139.02248	1.1
139.07545	2.0
145.10150	2.0
149.09625	1.0
151.07585	2.1
153.09155	2.4
163.11194	1.1
169.10182	2.3
171.11755	19.4
172.12070	2.0
189.12830	5.5
191.05606	1.8
201.12889	7.6
207.13919	4.6
214.09325	1.2
219.13872	3.2
237.14973	19.9
238.15298	1.6
278.00540	1.1
281.14011	26.5
282.14383	3.0
361.09714	100.0
362.10001	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	361.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.7
56.37603	0.3
57.03341	5.6
59.01269	3.5
62.41998	0.3
65.03850	1.6
69.03339	0.6
69.41444	2.4
71.01257	0.6
71.04903	0.7
75.00785	0.3
79.95625	2.3
83.04914	6.3
85.02861	0.8
86.63405	0.3
87.00775	7.5
93.03349	1.8
95.04951	1.6
96.02115	0.4
96.95914	66.2
97.02869	0.7
97.06429	0.4
98.03638	0.6
99.04417	0.4
101.05998	0.5
106.04159	0.3
107.04925	0.5
107.08609	0.5
109.06494	0.6
111.04425	2.6
111.08069	2.6
113.06004	0.5
119.08574	1.5
121.06522	3.6
123.08077	14.9
124.05246	1.4
124.08382	0.4
129.01892	0.5
129.07007	1.0
133.06538	0.4
135.08098	0.5
137.06015	0.7
137.09662	2.4
138.06810	0.5
139.07579	3.3
139.29073	0.3
145.10158	2.5
149.09590	0.4
151.07616	2.1
151.11192	0.4
153.09113	1.8
155.08542	0.4
163.03836	0.3
163.11278	0.7
165.04021	0.4
165.09155	0.6
169.08667	0.9
169.10182	1.6
171.11755	16.3
172.12123	1.2
173.04581	0.4
189.12823	5.0
190.13171	0.4
191.05589	2.7
196.95952	0.3
201.12849	5.1
207.13914	2.5
219.13892	2.0
237.14980	10.8
237.81622	0.4
238.15393	1.0
281.14008	16.6
282.14444	1.5
317.10745	0.4
361.09702	100.0
362.05411	0.5
362.10019	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03353	0.5
58.11224	0.4
59.01262	4.9
60.99206	0.5
65.03868	0.7
67.01785	2.6
67.08315	0.4
68.99730	1.3
69.03356	1.2
69.72964	2.7
71.01273	5.0
80.04959	0.8
81.03371	0.9
83.01299	0.4
83.04926	0.7
85.02842	4.1
87.00774	3.3
89.02362	0.5
93.03365	21.3
94.03713	1.0
95.01284	0.9
95.04935	1.0
96.95995	0.5
97.02875	0.7
99.00785	0.6
101.02360	0.5
105.03328	1.0
106.04179	0.6
107.04943	0.8
108.02084	7.6
109.02874	6.1
111.00821	0.7
111.04434	3.2
113.02358	0.6
115.00302	3.5
117.03378	12.5
117.04195	0.7
118.04208	2.9
119.04954	10.2
120.05302	0.7
121.02879	27.8
122.06042	0.9
123.00826	1.5
123.04446	7.7
124.01582	3.5
124.04780	0.5
125.02342	3.6
127.03996	0.8
129.01839	0.6
130.04205	0.8
131.04933	2.6
132.04489	5.2
132.05498	0.8
133.02896	7.3
133.06570	1.0
134.03674	46.2
135.04570	3.5
137.02382	29.4
137.05930	0.5
138.03246	5.2
139.03947	1.9
143.04988	3.9
145.02872	1.3
145.06532	19.1
146.03648	1.5
146.06880	0.8
147.04463	8.7
147.08118	1.3
149.02379	2.0
149.06050	4.5
150.03195	1.3
150.05525	0.6
151.03935	1.7
152.07097	2.3
155.03447	1.2
159.04468	1.6
161.02412	1.0
161.06010	2.4
162.03181	68.0
163.03960	18.8
163.07593	0.8
164.04422	1.9
165.05447	0.8
169.06554	1.4
171.04472	0.6
171.08215	0.6
173.04552	9.2
173.06004	1.1
175.03912	0.9
176.03993	0.9
177.01891	2.1
177.05539	2.0
178.02655	1.7
179.03444	1.9
181.06689	0.5
182.07324	0.5
183.08125	0.9
185.06030	1.2
185.09660	0.6
187.07611	1.1
190.02731	1.0
191.05591	33.1
192.05951	1.9
194.02197	0.6
195.02699	0.6
195.06555	0.8
195.08174	0.9
197.05952	1.0
197.09712	0.8
199.07588	1.3
205.05037	1.2
206.07266	0.5
209.06010	1.0
209.09778	2.8
210.06642	0.6
211.07642	2.1
213.05530	1.3
213.09174	0.8
223.07600	1.2
225.05569	0.8
225.09250	1.8
227.10748	1.4
234.06711	0.7
235.07625	3.6
236.08360	2.4
237.09242	100.0
238.06300	1.2
238.09740	13.8
239.07108	0.5
239.10439	0.8
241.04990	1.2
242.05902	9.2
243.06651	6.9
243.10330	1.2
250.06673	5.0
250.56863	1.0
251.07108	1.9
252.07910	1.4
253.08781	12.5
254.09116	0.9
263.05609	0.8
266.05853	1.1
267.06354	0.5
269.08298	0.7
270.09064	3.5
271.09836	20.1
272.06204	2.9
272.10251	2.3
272.56317	0.9
282.08447	0.5
293.04547	0.7
294.05405	1.5
297.07666	1.2
297.12808	2.3
309.07697	1.1
315.08795	1.6
315.13422	1.6
316.08948	0.5
326.08047	12.2
327.08698	4.1
331.08218	0.8
338.04330	0.8
353.06793	7.8
354.07092	0.7
359.07697	33.3
359.20636	1.1
360.07877	3.1
367.10550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48096	1.0
59.01266	2.4
67.01772	1.3
68.99753	1.1
71.01279	4.2
71.76480	1.0
78.95788	1.0
80.04939	1.3
81.03354	1.7
85.02841	2.7
87.00779	1.1
93.03368	13.5
105.26402	0.9
106.04244	1.0
107.35016	0.8
108.02068	6.7
109.02891	7.1
111.04456	2.1
113.02391	1.2
115.00293	2.5
117.03383	16.7
118.04192	2.8
119.04943	13.6
121.02872	26.0
123.00791	1.9
123.04430	5.9
124.01613	4.3
125.02365	4.5
131.04962	2.8
132.02022	1.1
132.04498	6.4
133.02899	5.7
133.06516	1.2
134.03674	31.6
135.04385	2.3
137.02377	27.8
138.03239	5.0
143.04959	5.9
145.02905	1.3
145.05467	1.9
145.06541	25.7
146.03665	1.4
146.06824	1.2
147.04482	7.9
147.08096	1.2
149.02364	2.3
149.06064	3.4
151.03883	1.9
152.07124	2.8
159.04468	1.9
161.06032	2.5
162.03178	48.9
163.03972	15.6
163.07631	1.1
164.04391	2.0
169.06577	2.5
173.04514	2.9
177.01865	1.6
177.05547	1.4
178.02524	1.1
179.03546	1.4
183.08211	1.3
187.07706	1.2
191.03705	1.9
191.05583	17.6
191.54636	0.9
191.89661	1.1
199.07721	1.2
205.05231	1.0
209.09860	2.3
211.07709	1.9
222.06932	1.2
225.05415	0.9
225.09164	1.3
235.07684	3.6
236.08447	2.5
237.09224	100.0
238.06424	1.9
238.09840	19.3
241.04988	1.9
242.05878	10.9
243.06641	7.3
250.06734	2.9
251.07257	1.4
253.08778	10.4
254.09224	1.1
266.05865	1.3
270.09082	2.9
271.09796	17.0
272.10123	1.4
293.04733	1.2
294.05331	1.0
297.12500	2.4
310.75162	1.0
315.13541	1.6
326.07999	7.6
327.08722	2.0
353.06635	6.4
359.07730	22.8
360.08316	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3018
Annotation	1,2-O-(2'-hydroxyoctadecyl)-glycerol
Peak:m/z	Relative Intensity
53.24967	0.4
59.01252	1.3
62.70723	0.3
71.57066	0.4
71.57449	0.6
74.67577	0.3
78.31384	0.4
88.14856	0.4
121.02866	0.8
128.31891	0.4
153.28658	0.3
195.06487	0.5
232.65273	0.3
240.77383	0.4
279.26923	0.7
281.28531	10.5
282.28946	1.2
309.28055	5.5
310.28424	0.9
311.29611	17.2
312.29944	1.6
357.30167	100.0
358.30521	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	359.0784
Annotation	3,5,7-Trihydroxy-2',4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
59.01270	5.1
63.88724	0.7
70.79949	2.5
78.79015	0.7
85.50963	0.9
93.03359	0.8
95.37152	0.7
97.79454	0.7
98.11817	0.7
111.69826	0.9
115.90591	0.8
121.02871	1.5
137.06010	1.6
139.03926	3.0
141.75906	0.9
148.01616	1.0
149.02399	7.7
150.34978	0.8
153.01758	1.1
161.02403	1.0
164.98215	2.4
175.00317	6.5
186.03152	1.2
190.99820	1.1
202.02682	11.1
214.02769	2.1
230.02228	9.6
241.01419	1.3
242.02242	3.3
257.00891	1.3
258.01740	17.1
259.02078	2.4
259.95282	0.9
269.01004	2.5
270.01770	3.6
283.02585	2.5
285.04303	1.2
286.01266	59.0
287.01657	3.7
295.99710	1.2
297.00409	1.8
301.03613	10.2
302.03925	1.3
311.02170	1.1
314.00775	27.0
315.01099	2.3
329.03110	98.6
330.03534	7.8
344.05460	100.0
345.05759	11.7
359.07816	85.9
359.24484	1.9
360.08157	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	357.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39218	2.7
58.40747	2.6
59.01266	92.4
93.03380	13.2
95.04959	3.4
98.19838	6.8
101.02335	3.3
105.03364	10.7
109.02876	5.8
111.04409	4.1
121.02874	11.7
133.02879	100.0
134.03629	4.6
135.04448	57.9
137.02370	3.0
151.04063	3.0
155.03485	4.9
161.02393	72.5
173.04498	26.6
177.01895	24.1
179.03442	32.9
191.05557	11.2
195.06573	6.0
234.05315	7.3
253.21700	5.2
256.04807	9.1
271.22821	38.3
272.23334	3.1
279.58905	2.8
297.11972	4.9
309.22214	8.2
313.23923	32.1
314.24271	5.0
335.07730	31.4
351.07355	3.7
358.14340	3.5
363.19559	8.1
381.20859	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	357.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30695	30.1
57.88325	34.5
59.01258	97.3
65.59526	31.1
71.44158	28.2
71.56982	39.8
72.35899	28.7
78.59074	35.3
111.83364	35.7
121.02855	100.0
195.06610	91.9
199.94186	34.5
248.16020	33.9
297.11996	67.4
352.33578	32.9
357.06265	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01605	1.3
69.76291	3.3
69.76696	0.9
71.01266	5.2
73.02842	1.8
75.14664	0.6
83.01309	0.7
85.02852	2.7
87.86732	0.5
89.02332	0.7
95.01289	0.9
101.02357	2.4
113.02379	1.9
115.21336	0.6
135.04460	0.6
161.02431	0.9
161.04517	2.0
179.03381	0.7
228.50339	0.6
315.18198	1.9
347.26898	0.7
358.12039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
58.00490	0.2
59.01266	100.0
60.01597	1.0
69.41016	2.6
71.01269	5.0
73.02837	1.7
83.01286	0.6
85.02849	2.3
95.01343	0.4
99.00797	0.7
101.02354	4.6
102.89287	0.3
113.02367	2.0
143.89651	0.3
159.02991	0.4
161.04506	3.0
167.66234	0.3
205.03603	0.3
216.44046	0.2
224.46844	0.3
227.29626	0.3
280.62222	0.3
303.17285	0.3
315.18210	9.6
316.18646	1.0
357.17590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00494	0.4
59.01268	100.0
60.01600	1.1
61.68358	0.5
62.85444	0.4
70.53042	0.7
71.01276	7.8
72.67403	0.3
73.02837	7.3
80.91540	0.4
83.01265	2.0
85.02863	1.3
87.00747	0.4
89.02340	2.2
95.01326	0.6
97.02882	0.4
101.02353	5.6
113.02364	3.6
119.03466	0.8
121.02866	2.6
131.03389	0.5
151.07625	0.6
161.04549	0.8
195.06679	1.4
271.02576	0.4
290.94522	0.4
299.02173	0.8
314.86356	0.3
339.05167	0.6
357.06393	1.7
357.20706	0.6
357.26566	0.4
358.17102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
59.01265	100.0
59.10020	0.4
60.01604	1.4
71.01275	6.8
71.07885	1.1
73.02843	2.1
83.01272	0.8
85.02839	2.8
89.02357	1.3
89.46019	0.4
93.74112	0.3
95.01307	0.7
99.00798	0.9
101.02346	4.1
113.02371	2.7
121.02843	0.4
146.14027	0.4
159.03009	0.4
161.04530	2.8
171.10286	0.7
223.25928	0.4
229.03342	0.4
252.09599	0.4
267.51230	0.5
274.09055	0.4
315.18207	4.4
315.21259	0.4
316.18704	0.4
357.22971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.6
57.03340	0.4
59.01268	100.0
60.01607	1.0
63.22663	0.3
69.96638	1.6
71.01271	8.2
73.02837	1.9
83.01303	1.0
85.02846	3.1
88.07402	0.3
89.02338	1.1
95.01301	0.9
98.19804	0.6
99.00811	1.0
101.02356	4.3
113.02366	2.7
151.82211	0.3
159.02960	0.4
161.04526	2.9
185.04266	0.3
195.06628	1.5
304.94724	0.3
315.18375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39606	0.6
59.01264	100.0
60.01629	0.6
71.01279	6.1
71.05705	0.6
71.13314	1.0
73.02844	2.0
85.02842	3.6
89.02342	1.3
97.47265	0.6
99.00790	1.0
101.02364	3.3
102.83183	0.6
113.02386	2.2
161.04529	2.7
309.38708	0.7
315.18134	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	357.1352
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01263	4.0
65.53302	1.0
66.65909	1.0
71.01280	1.6
71.55896	1.1
74.84049	1.0
78.95819	1.4
82.25655	1.0
108.02076	24.7
109.02899	1.8
119.04893	1.5
121.02820	2.4
121.06519	1.5
122.03629	1.0
123.04446	36.4
124.04803	1.2
128.23891	1.1
131.04916	2.2
133.02879	1.9
135.04419	3.3
137.02351	4.4
139.67052	1.0
143.04915	1.8
145.02879	4.6
146.03650	4.4
147.04507	4.9
148.05225	11.6
149.02373	4.1
149.06042	9.8
150.03186	11.1
151.04002	1.2
151.07576	4.1
158.03682	5.7
159.04460	21.9
160.05252	28.6
161.02383	4.4
161.05949	5.0
162.03192	7.7
163.03928	3.7
163.07594	2.4
164.04738	4.3
165.05548	4.9
170.03685	1.3
171.04485	1.8
171.10213	1.1
173.06036	2.9
174.03195	10.5
174.87125	1.0
175.03958	2.0
175.07603	8.0
176.04749	6.3
177.05530	100.0
178.06300	34.9
179.03473	1.2
179.06743	2.9
180.04158	1.6
187.03972	14.0
188.04747	22.3
189.05325	2.8
191.05605	1.5
191.07109	29.6
192.04242	3.7
192.07840	13.4
193.08556	2.3
194.05702	1.1
195.06606	9.0
201.05501	2.2
203.07123	99.0
204.07455	6.7
206.05826	24.5
207.06212	1.4
210.05333	12.9
219.06613	3.7
220.07346	4.7
221.08195	71.1
222.08536	4.5
224.06923	21.2
225.07181	1.5
233.08238	1.7
239.07156	1.3
251.07289	1.4
261.05664	1.4
263.07193	3.9
268.07309	1.8
269.08368	1.4
279.06635	3.4
280.07462	3.5
281.08224	6.7
282.08737	1.1
283.09900	1.3
291.06689	3.8
294.08994	1.9
295.09921	1.8
296.10709	2.3
297.07712	2.8
298.08582	1.8
299.13074	1.5
306.08954	2.8
309.07703	5.2
311.12964	3.0
313.10876	6.6
321.11407	2.1
324.10138	4.8
327.12439	12.1
328.12756	2.4
339.12442	42.4
340.12720	4.0
342.10934	1.5
346.88614	1.0
357.13510	44.3
357.18002	1.7
358.13779	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	357.1202
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
59.01262	2.8
60.01498	0.6
63.90950	0.6
66.36073	0.6
69.48861	0.6
70.71711	1.0
70.72054	1.2
71.01285	1.0
73.02797	0.6
85.02866	0.8
93.03339	1.4
95.04929	0.6
101.02322	1.1
102.40189	0.6
105.01794	1.0
121.02868	1.4
122.03690	1.0
123.04445	69.9
124.04799	3.1
135.04456	7.6
151.03969	1.5
153.05522	100.0
154.05843	4.1
177.05646	1.0
179.03464	2.5
180.04166	0.9
191.05557	2.2
195.05069	2.2
195.06622	4.6
226.65627	0.7
272.83917	0.7
283.13019	0.7
319.08450	0.7
357.11923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93542	0.3
54.02679	0.3
56.45799	0.3
56.84732	0.3
57.03330	0.6
59.01246	0.8
61.47253	0.3
65.00222	0.5
68.99701	0.4
69.40999	1.4
69.41427	1.3
71.01285	0.7
75.06286	0.3
76.09068	0.3
81.03352	5.2
83.01283	0.5
85.06484	0.6
87.04408	0.7
93.03371	0.5
95.04916	0.5
97.02882	0.6
106.65621	0.3
107.01292	0.4
108.02119	0.3
109.02861	0.4
109.06496	2.5
111.04427	3.7
118.18774	0.3
121.02886	0.5
122.03679	1.8
123.04436	0.9
125.02382	5.2
133.02881	0.3
135.04489	1.0
139.03912	0.4
149.02386	1.1
149.06062	0.3
151.00305	0.7
151.07590	39.5
152.01048	0.5
152.07945	1.4
153.05525	0.4
161.06122	0.5
163.07668	0.5
165.01877	0.4
165.05481	0.5
167.03510	0.3
175.00340	0.9
177.02028	0.3
177.05544	0.9
177.29886	0.4
179.03464	0.7
179.07086	1.2
191.07124	1.4
194.05890	0.3
195.06609	100.0
196.06949	5.2
201.05618	0.3
207.06653	1.0
208.07335	0.6
209.08221	2.4
217.81131	0.3
219.06627	26.3
220.06897	1.7
221.08257	0.8
237.07712	10.6
238.08084	0.8
249.07698	2.9
250.08173	0.6
261.07782	0.5
297.09933	0.7
325.73447	0.3
339.10782	0.5
357.12036	8.0
358.12271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36242	0.2
57.03332	0.5
59.01269	2.4
65.00217	0.5
69.03336	0.3
71.01272	0.4
71.62333	0.3
80.92245	0.2
81.03355	4.6
83.01283	0.8
85.06510	0.5
87.04400	0.4
93.03379	0.3
95.01292	0.4
95.04948	0.4
95.66146	0.2
97.02843	0.5
107.01305	0.3
107.04958	0.3
109.02862	0.5
109.06502	2.7
110.06847	0.2
111.04432	4.6
113.05994	0.3
121.02894	0.9
122.03673	1.5
123.00764	0.2
123.04461	0.3
123.08105	0.4
125.02372	5.5
126.02741	0.2
127.07578	0.3
131.01378	0.2
133.06548	0.2
139.03926	0.6
147.07997	0.3
149.02417	1.0
149.58644	0.2
151.00302	0.8
151.07593	38.2
152.01099	0.5
152.07944	2.3
153.05460	0.2
161.05995	0.2
163.07536	0.5
165.05507	0.6
165.09190	0.3
167.03473	0.3
175.00327	0.6
177.05513	0.7
179.07036	0.9
191.07082	1.3
194.05893	0.4
195.06609	100.0
196.06956	5.9
201.05566	0.4
207.06630	0.8
208.07224	0.3
209.08194	2.5
210.08464	0.2
219.06630	22.5
220.06972	1.9
221.08101	0.3
237.07706	8.1
238.08076	0.5
249.07724	2.9
250.08003	0.4
261.07666	0.5
279.09030	0.3
297.09854	0.8
328.81036	0.2
339.11035	0.3
339.18030	0.2
357.11981	6.8
358.12375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.12
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.26234	0.2
57.03333	0.7
59.01270	1.4
62.06979	0.3
63.37227	0.2
65.00205	0.6
67.01750	0.2
70.01583	0.5
70.01987	0.9
71.01276	0.6
81.03346	4.4
83.01287	1.1
85.02866	0.3
85.06474	0.9
87.04409	0.6
93.03375	0.8
96.00803	0.3
97.02856	0.6
107.01307	0.6
109.01611	0.3
109.02841	0.5
109.06517	3.0
111.04437	4.3
119.04935	0.8
121.02900	0.8
122.03667	1.6
123.04418	0.7
125.02361	6.0
129.10262	0.4
130.08685	1.3
131.01387	0.3
133.06552	0.3
133.14496	0.3
134.03661	0.7
135.04391	0.4
136.01604	0.6
137.02391	0.4
139.03992	0.4
143.05035	0.4
147.04428	0.4
149.02399	1.2
149.05902	0.3
151.00302	1.0
151.03978	0.7
151.07585	38.2
152.07906	1.8
153.05504	0.3
159.04439	0.4
161.06058	0.3
163.03944	0.5
163.07530	0.4
165.05501	0.7
166.08766	0.3
167.03368	0.3
173.04340	0.3
175.00302	0.4
177.05515	0.8
179.03503	0.3
179.07048	0.6
180.78702	0.2
191.05568	0.5
191.07106	1.3
193.05106	0.3
194.05745	0.4
195.06606	100.0
196.06944	6.1
201.05629	0.4
207.06613	0.5
209.08174	2.1
210.07556	0.3
219.06631	18.9
220.06987	1.2
237.07695	7.0
238.08096	0.5
249.07689	2.1
251.07039	0.6
256.70145	0.3
261.07861	0.3
280.07489	0.4
297.09872	0.3
323.15994	0.4
340.18893	0.8
353.67517	0.3
357.12552	4.1
357.21432	1.0
358.12244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1199
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.68237	0.2
57.03328	0.5
58.97919	0.2
59.01259	0.6
65.00205	0.7
68.59277	0.2
69.80687	1.4
78.95797	1.2
81.03349	3.7
81.81548	0.2
83.01277	0.9
85.06492	0.6
87.04405	0.3
96.00974	0.2
96.96870	1.0
102.32076	0.3
107.01284	0.4
109.06496	2.2
111.04435	3.4
121.85631	0.3
122.03669	1.1
125.02370	5.2
128.79718	0.2
135.04488	0.3
141.72949	0.2
149.02362	0.7
151.00307	0.9
151.07594	25.2
152.07939	1.4
153.05531	0.4
176.36748	0.2
177.05544	0.7
195.06616	100.0
196.06961	5.7
201.96883	0.2
219.06621	0.5
221.02995	0.3
233.09517	0.5
237.07722	0.8
263.80640	0.3
269.06848	0.3
278.32022	0.2
357.12015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.5
59.01267	2.1
59.83659	0.3
61.26995	0.3
61.58852	0.3
69.57113	2.4
69.85246	0.3
81.03351	4.5
83.01278	1.1
85.06483	0.7
89.02357	0.3
94.68746	0.3
95.01289	0.4
107.01271	0.4
107.04939	0.4
109.06509	2.5
111.04425	3.4
114.96175	0.3
121.02881	1.0
122.03664	1.0
125.02376	6.2
133.02864	0.4
135.04451	1.0
136.01572	0.5
149.02357	0.9
151.00290	1.4
151.07588	25.8
152.07896	1.5
177.05519	1.3
195.06606	100.0
196.06944	5.9
211.13487	0.5
237.07796	0.5
297.11960	0.7
329.23715	0.5
336.11551	0.4
357.13043	0.8
357.20728	2.5
357.26453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1197
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
57.03329	0.6
59.01262	3.1
64.00894	0.3
65.00213	0.7
69.35158	0.8
69.35566	2.5
81.03355	3.8
82.99150	0.3
83.01273	0.9
85.06474	0.6
86.84781	0.3
87.04401	0.5
87.53773	0.3
93.03349	0.3
103.61742	0.3
107.01304	0.5
107.46423	0.3
109.06487	2.0
111.04435	2.9
121.02868	1.1
122.03652	1.0
125.02372	7.3
126.45777	0.4
133.02841	0.3
135.04471	0.6
136.01558	0.4
149.02391	0.8
151.00288	1.1
151.07591	27.2
152.07918	1.1
153.05481	0.3
167.03397	0.4
177.05550	0.7
191.07162	0.5
195.06604	100.0
196.06947	5.8
219.06599	1.0
237.07668	1.0
273.71692	0.3
323.58618	0.3
325.52222	0.3
357.12155	1.2
357.26617	0.4
376.29611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03358	0.7
59.01259	2.7
65.00248	1.1
71.01315	1.6
74.88898	0.3
77.51383	0.3
81.03348	4.1
83.01302	0.9
84.81757	0.4
85.02875	0.4
85.06503	0.5
87.00829	0.5
89.02378	0.8
91.01777	1.8
93.03358	3.6
95.04942	0.8
96.28604	0.4
96.99220	2.7
97.02875	0.4
98.19773	1.0
101.02374	0.5
107.01323	0.6
108.02110	0.6
109.02898	1.1
109.06499	2.5
111.04408	3.2
117.03405	0.8
119.03497	0.7
119.04937	5.9
121.02883	1.1
122.03664	1.4
123.04430	6.1
124.01565	0.8
125.02365	5.6
130.04242	0.7
131.04980	0.9
133.02921	1.6
134.03670	6.8
135.04456	1.1
137.02391	0.6
139.03995	0.5
143.04958	6.2
145.02869	1.9
146.03671	2.3
147.04445	1.2
148.01686	0.4
148.05200	0.6
149.02391	1.1
149.06049	1.1
151.00340	1.3
151.07587	33.2
152.07921	1.5
153.05576	0.4
158.03630	1.7
159.04446	4.6
160.05049	0.4
161.02388	0.6
161.06038	1.5
163.03979	3.5
165.05556	0.5
171.04393	0.6
171.10260	0.9
173.06007	1.1
174.03264	0.5
175.03967	1.0
177.05597	0.8
178.02759	1.1
179.03435	0.6
179.07085	0.8
187.03922	0.4
191.07109	0.9
193.05002	2.2
195.06604	100.0
196.06921	5.9
207.06628	1.0
209.08104	2.1
219.06619	17.6
220.07043	1.5
222.83098	0.4
226.06316	1.7
227.60823	0.4
235.07681	0.6
237.07683	7.3
241.08693	1.1
249.07651	2.6
250.06357	0.8
251.07162	10.3
252.07823	3.3
253.08752	3.1
254.09438	1.5
263.06973	0.4
265.08759	0.5
267.10352	0.6
279.06693	3.2
280.07462	7.2
281.07736	0.6
290.05414	0.4
295.09833	6.4
296.10025	0.7
298.66617	0.4
324.06491	1.4
339.08786	2.7
357.09723	55.9
358.10126	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	357.1199
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
59.01271	3.0
61.98711	0.6
65.00227	0.6
68.99754	0.4
69.07725	0.5
71.01264	0.7
71.57546	0.8
81.03356	3.7
83.01276	1.2
85.06476	0.5
87.04404	0.7
99.19053	0.6
104.20637	0.6
107.01258	0.5
109.06509	2.4
111.04429	3.9
121.02896	2.6
122.03667	1.5
125.02367	7.0
135.04466	1.0
149.02332	0.6
151.00270	0.9
151.07594	27.5
152.07933	1.7
153.05399	0.6
159.25626	0.5
177.05530	0.9
195.06609	100.0
196.06944	7.0
212.33571	0.5
219.06680	1.4
237.07758	0.7
297.11923	0.8
314.50476	0.6
357.06143	1.1
357.12726	1.0
357.20660	0.9
357.26694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.099
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
51.36238	0.6
59.01270	5.4
65.00175	0.7
65.96056	0.7
67.01755	1.0
69.03326	1.0
69.67495	5.3
71.01272	3.2
71.17262	0.7
79.93689	0.9
81.03373	3.8
82.03631	0.7
85.02814	1.7
86.43546	0.7
87.04375	0.8
89.02322	1.2
90.92728	0.7
91.01788	3.2
93.03369	7.7
96.16626	0.7
96.95895	1.0
96.99201	4.4
98.19821	1.5
101.02360	1.2
108.02070	2.1
109.02858	3.3
109.06498	1.8
111.04405	3.2
117.03369	1.6
119.04951	11.4
121.02847	1.7
122.03690	1.2
123.04439	9.3
125.02351	3.8
130.04182	0.9
131.04921	2.2
133.02864	3.0
134.03677	12.1
135.04463	1.0
137.02382	1.3
139.03923	0.9
143.04956	9.8
145.02843	3.1
146.03677	5.8
147.04460	1.8
148.00549	0.9
148.01620	1.1
148.05264	1.3
149.02386	9.3
151.07593	23.3
152.07968	0.9
153.01817	3.5
158.03632	2.7
159.04456	8.5
161.02415	1.3
161.06004	2.8
163.03970	6.1
164.04672	1.8
167.03384	1.0
171.10205	0.8
173.04596	11.1
173.06041	2.3
177.05580	1.0
178.02605	1.5
184.29221	0.7
193.04974	3.9
195.06615	71.3
196.06926	3.2
209.08159	1.7
219.06604	12.9
223.33131	0.7
226.06310	2.4
227.11127	2.3
235.07516	0.8
237.07753	4.9
239.07021	1.1
239.47205	0.7
241.08705	2.1
249.07716	1.3
251.07195	15.2
251.10191	0.7
251.10925	0.8
252.07851	8.2
253.08690	5.0
254.09354	2.9
265.08911	1.0
267.10159	1.3
279.06613	6.4
280.07425	12.7
281.07843	1.2
295.09824	11.9
296.10068	1.0
324.06287	1.5
339.08859	4.2
342.11044	2.0
357.09805	100.0
358.10150	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	357.0984
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
51.36837	0.4
54.02406	0.4
59.01257	1.3
65.00211	0.8
69.37524	2.1
69.37953	1.5
72.01114	0.4
91.01778	3.5
93.03358	6.7
95.01300	0.6
96.00774	0.8
96.99203	6.6
97.79540	0.4
98.02395	0.5
98.19704	0.7
103.69295	0.5
108.02065	1.6
109.02843	0.7
111.00785	0.6
117.03360	1.8
117.99885	0.4
119.04939	13.5
121.02864	0.6
123.04437	9.4
124.01592	0.7
124.04728	0.5
130.04163	1.1
130.08694	2.4
131.04971	2.9
132.02104	0.5
133.02866	3.4
134.03667	14.9
135.04443	0.5
137.02365	1.2
138.09143	0.7
143.04958	10.9
143.97197	0.4
144.05301	0.6
145.02919	3.6
146.03680	5.1
147.04454	1.3
148.01587	0.9
148.05215	1.3
149.06000	1.2
150.03218	0.5
151.00298	0.7
153.05476	0.4
158.03642	4.4
159.04451	7.8
160.01578	0.9
161.06017	3.3
162.03128	0.5
163.03947	8.1
166.08667	1.1
171.04385	0.7
171.10178	0.5
173.04694	0.6
173.06003	2.7
174.03151	0.9
175.03961	1.3
178.02693	1.9
187.03967	1.4
191.31802	0.4
193.05057	4.2
226.06332	4.0
235.07654	1.4
235.18170	0.5
238.06363	0.5
241.08723	3.2
242.09120	0.5
250.06343	1.5
251.07169	20.3
251.46671	0.4
252.07840	7.7
253.08719	5.8
254.09476	3.3
263.07187	0.5
265.08719	1.3
267.10278	1.6
279.06650	6.9
280.04361	0.8
280.07443	15.5
281.07816	1.1
295.09808	10.6
296.10199	1.0
313.10794	0.7
322.16541	0.4
323.16214	3.1
324.06400	3.0
339.08850	5.1
340.18927	1.5
357.09854	100.0
358.10205	9.8
358.19818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0624
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.02692	0.2
59.01270	3.3
63.60537	0.2
69.03339	0.3
77.03877	0.3
81.03345	0.3
113.14165	0.2
121.02875	100.0
122.03209	4.5
125.02366	0.3
134.98174	0.2
151.07573	2.4
165.01900	1.1
180.05721	1.6
181.06567	6.7
182.06891	0.6
195.06612	6.6
209.08197	0.4
219.06642	1.8
225.05582	5.6
226.05852	0.4
237.07704	0.6
313.07233	8.2
314.07642	1.0
357.06244	39.4
358.06580	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	356.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	2.4
61.98717	100.0
71.01270	1.0
71.55928	0.9
71.56318	0.6
71.71613	0.4
78.60333	0.4
110.08333	0.5
121.02869	1.2
135.04478	0.6
153.39558	0.5
195.06682	1.1
293.17749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77579	0.7
54.44094	0.8
59.01260	2.4
64.26278	0.7
68.01300	0.9
71.57751	0.9
71.58154	1.2
78.95798	100.0
83.02418	1.1
83.04923	0.9
93.03347	1.0
95.02415	17.1
96.00796	1.3
96.01921	1.0
96.96867	93.2
119.04943	0.8
121.02859	1.1
122.02425	2.0
122.03523	14.7
130.08710	1.1
161.02356	0.7
167.06145	0.9
207.04257	3.0
233.09502	76.8
234.09851	6.2
236.48824	0.7
249.09000	2.0
272.10709	0.9
276.06500	1.9
290.39081	0.6
294.08893	0.9
329.13062	0.7
356.09796	1.5
356.13968	5.4
357.12344	2.7
357.16333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3225
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
59.01263	0.9
63.16754	0.4
67.53053	0.4
71.58263	0.8
74.37121	0.4
126.59996	0.4
199.00716	1.1
207.53027	0.4
295.30173	0.7
296.30728	0.8
309.31506	0.7
337.31253	0.9
355.19870	4.8
355.32245	100.0
356.20090	0.8
356.32617	14.3
376.77386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40799	0.9
51.77634	1.3
57.03335	9.4
59.01261	8.4
71.01266	2.9
71.57426	1.3
77.61308	1.1
83.04924	7.4
85.06483	2.7
109.06505	2.4
111.04417	9.5
129.05504	50.9
130.05785	1.4
133.06573	1.5
170.81766	1.2
207.78304	1.1
209.19038	2.4
211.78084	1.1
225.22231	20.0
226.22549	2.8
237.22292	1.7
293.28598	6.9
319.26437	4.3
320.26874	1.3
337.27542	100.0
338.27930	11.5
347.27985	1.2
355.28619	3.7
355.32596	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18129	6.4
57.03331	8.1
59.01262	100.0
61.98704	8.0
71.01291	13.1
71.24301	7.0
85.02851	5.8
87.81355	6.2
89.02349	11.0
89.82132	6.6
101.02357	9.6
107.30186	6.1
117.39124	6.9
125.68236	6.5
133.06511	10.9
160.73143	6.5
161.04482	14.1
199.00633	12.5
213.43767	8.4
229.16417	7.9
248.73155	6.9
267.17886	10.7
273.22241	8.1
319.22726	21.1
355.19608	33.6
355.24573	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	355.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32890	17.6
57.71412	17.1
59.01271	100.0
116.53803	20.5
159.10210	35.9
172.50334	19.1
199.00648	23.3
339.31775	22.8
355.19507	44.7
356.19150	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	355.2287
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
54.68881	1.4
59.01255	11.9
64.31708	1.4
66.85937	1.6
69.44127	14.2
71.01275	3.7
74.01243	1.3
85.02827	2.8
101.06030	1.6
104.19611	1.6
109.02859	1.6
122.03671	8.0
126.93143	1.4
133.06573	2.6
135.04434	23.6
136.01556	1.8
147.08130	2.6
149.06044	1.4
149.09671	7.3
151.07616	2.0
154.02681	3.5
155.10547	1.6
155.12433	1.8
161.09662	7.6
163.11230	50.4
164.08376	14.7
164.11519	2.2
165.09122	7.2
177.09169	59.0
178.09918	16.7
179.10736	61.1
180.11072	5.9
183.10286	2.5
191.10715	11.8
193.08699	6.4
280.14581	2.4
298.15808	45.1
299.16165	2.8
337.21783	46.4
338.22101	7.4
340.20490	81.1
341.20822	10.5
355.22867	100.0
356.23230	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	355.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.4
57.03333	0.5
59.01265	100.0
60.01586	1.0
71.01268	5.5
71.55408	0.7
73.02827	1.7
83.01281	0.9
83.04922	0.4
85.02854	2.7
87.00783	0.9
95.01293	0.5
97.02797	0.3
99.00785	0.6
101.02327	3.0
113.02377	2.5
130.08763	0.4
133.06548	0.5
151.11240	0.8
159.02910	0.4
161.02333	0.5
161.04527	2.6
164.55965	0.3
165.01523	0.4
228.20761	0.3
313.16678	4.6
314.17105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1898
Annotation	7,8-Dehydrocyclospongiaquinone
Peak:m/z	Relative Intensity
58.02164	0.2
59.01268	3.2
69.65230	1.1
69.65638	0.6
71.01279	0.4
74.11880	0.2
75.12678	0.2
93.03354	3.5
98.20562	0.3
101.02329	0.5
111.04419	1.2
118.76654	0.3
121.02840	0.3
127.07512	0.3
133.06493	0.3
161.04543	0.4
183.01190	0.8
205.12473	0.4
219.13910	1.1
219.23878	0.3
253.15996	0.8
255.17677	0.6
267.17987	0.6
269.19220	4.2
270.19339	0.5
271.17184	0.8
273.18759	0.7
287.20197	4.8
288.20596	0.5
289.22021	0.3
311.19998	0.7
315.19629	0.6
325.18018	0.4
329.21060	2.0
330.21359	0.5
337.17929	17.9
338.18335	1.8
355.19003	100.0
356.19330	13.7
373.19919	2.4
374.20535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41961	0.4
55.01760	0.5
56.31559	0.3
59.01265	100.0
60.01605	1.5
62.51799	0.3
70.72706	0.4
71.01269	4.8
71.45673	0.5
73.02856	1.5
83.01257	0.7
85.02839	3.0
89.02401	0.4
99.00795	0.8
101.02353	3.1
113.02348	1.6
142.95201	0.3
151.11217	0.4
161.04495	2.8
173.61584	0.4
205.99780	0.5
206.30899	0.4
290.58774	0.3
313.16650	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	355.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09830	0.5
55.01785	0.5
56.18630	0.5
59.01265	100.0
59.11792	0.4
60.01582	0.9
69.25718	4.5
69.26126	1.1
70.02884	0.5
71.01273	5.5
72.99195	0.6
73.02856	2.6
81.10709	0.4
81.55220	0.5
83.01283	1.2
85.02848	3.7
87.00771	0.6
89.02338	1.0
93.03461	0.5
98.19839	1.0
99.00796	0.7
99.04471	0.5
99.11956	0.5
101.02352	4.4
111.04411	0.6
113.02360	2.7
119.03405	0.8
129.63170	0.5
130.39532	0.5
133.02895	1.9
133.06454	0.6
135.04428	2.5
136.04825	0.9
137.04968	0.8
157.16835	0.5
159.03014	0.6
161.02432	3.8
161.04482	3.1
162.02826	1.1
173.04515	0.7
173.62616	0.6
175.04021	1.6
179.03479	1.9
180.03857	0.6
181.03929	1.0
191.05563	2.6
192.05968	2.4
193.06099	3.0
193.63406	0.5
222.05527	0.6
223.14540	0.5
230.83212	0.5
241.15697	1.0
307.06326	0.6
311.09348	0.6
313.16650	4.3
329.10321	0.7
330.10663	0.8
355.08521	0.8
355.12350	1.0
355.25003	0.6
356.18439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
57.03334	0.7
57.45588	0.3
59.01263	100.0
60.01598	0.8
67.47295	0.4
68.34478	0.4
71.01273	3.8
73.02842	1.3
76.00543	0.4
83.01289	0.7
85.02848	1.6
85.32228	0.4
89.02352	0.7
98.20592	0.7
101.02322	3.0
104.56241	0.5
113.02367	2.0
119.03442	0.7
134.03171	0.5
161.02400	1.0
161.04535	1.0
193.48322	0.4
204.43817	0.5
241.28908	0.4
244.99777	0.5
249.52985	0.4
252.08087	0.7
257.26782	0.4
313.16583	2.8
355.25031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09830	0.5
55.01785	0.5
56.18630	0.5
59.01265	100.0
59.11792	0.4
60.01582	0.9
69.25718	4.5
69.26126	1.1
70.02884	0.5
71.01273	5.5
72.99195	0.6
73.02856	2.6
81.10709	0.4
81.55220	0.5
83.01283	1.2
85.02848	3.7
87.00771	0.6
89.02338	1.0
93.03461	0.5
98.19839	1.0
99.00796	0.7
99.04471	0.5
99.11956	0.5
101.02352	4.4
111.04411	0.6
113.02360	2.7
119.03405	0.8
129.63170	0.5
130.39532	0.5
133.02895	1.9
133.06454	0.6
135.04428	2.5
136.04825	0.9
137.04968	0.8
157.16835	0.5
159.03014	0.6
161.02432	3.8
161.04482	3.1
162.02826	1.1
173.04515	0.7
173.62616	0.6
175.04021	1.6
179.03479	1.9
180.03857	0.6
181.03929	1.0
191.05563	2.6
192.05968	2.4
193.06099	3.0
193.63406	0.5
222.05527	0.6
223.14540	0.5
230.83212	0.5
241.15697	1.0
307.06326	0.6
311.09348	0.6
313.16650	4.3
329.10321	0.7
330.10663	0.8
355.08521	0.8
355.12350	1.0
355.25003	0.6
356.18439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52968	6.7
70.53317	19.2
82.60766	5.7
99.92475	55.0
115.91990	32.3
116.92004	7.9
116.92783	100.0
117.41409	5.2
292.00238	7.3
355.15939	84.4
355.19983	12.6
356.16187	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	355.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10420	0.9
59.01265	18.8
69.89833	4.2
71.01285	1.1
84.77921	0.7
85.02842	1.0
93.03367	0.8
101.02373	1.5
108.02092	1.0
113.02345	1.3
119.04895	4.2
123.04385	1.2
131.04980	1.1
133.06502	0.7
135.04436	0.8
147.04465	10.9
148.05174	1.3
149.02412	0.8
150.03189	1.6
161.02364	1.0
161.04579	0.9
162.03088	1.2
164.04680	1.4
167.89227	0.7
175.03963	82.3
176.04750	40.0
177.05099	2.0
188.04768	1.0
189.05563	6.2
190.06320	24.0
191.03874	0.9
191.06902	1.0
204.04265	15.6
205.04633	0.9
208.03754	18.7
216.04237	1.2
217.05052	10.9
218.05836	10.9
219.06613	39.0
220.06894	1.9
222.05313	27.0
223.05699	1.6
223.07620	1.0
231.06708	2.1
235.07686	2.0
237.05737	1.2
239.07173	1.3
249.05600	1.6
250.06480	0.9
251.07112	2.5
251.16571	1.0
267.06680	2.8
279.06711	8.2
291.06735	1.9
292.07343	1.3
294.09167	2.0
295.06100	10.7
295.09128	1.0
296.06961	11.0
305.08258	0.8
306.08981	1.4
307.06161	11.4
310.08517	5.2
311.09317	13.1
312.09702	1.9
321.07697	1.2
322.08459	5.7
323.08896	1.3
325.10678	7.6
326.11310	1.0
327.12488	2.7
337.10907	8.0
340.09366	1.0
355.11963	100.0
356.08054	0.9
356.12299	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	355.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	10.2
60.99206	0.7
67.01778	1.5
70.74667	2.3
71.01273	1.5
74.84424	0.6
76.70563	0.7
79.62911	0.7
85.02859	2.2
87.00763	1.3
93.03358	9.1
111.04450	3.8
119.04950	5.6
121.02877	100.0
122.03215	3.9
129.01826	0.8
137.89099	0.7
139.01236	0.7
139.28912	0.7
155.03427	2.7
161.36336	0.7
172.26828	0.8
173.04524	25.4
174.04808	1.3
181.05038	85.1
182.05379	3.6
191.05583	17.3
192.05984	0.7
193.05045	0.9
209.02925	1.1
233.06735	0.8
295.14029	0.8
337.09305	2.2
355.10449	17.3
356.10739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59925	1.0
52.87574	1.0
57.03345	6.4
59.01263	13.6
60.99187	2.0
67.01781	6.1
69.03344	1.7
71.01261	7.1
71.57003	2.0
72.99213	2.0
81.03356	1.8
81.38844	1.0
83.04940	1.7
83.11830	1.0
85.02845	37.0
87.00780	8.8
89.02350	1.8
93.03361	37.4
101.02345	1.5
108.04476	1.8
111.04421	8.0
113.02361	3.0
119.04936	7.0
121.02875	100.0
122.03226	2.3
129.01854	4.6
133.90416	1.2
135.04457	1.4
137.02388	2.1
147.02985	2.9
155.03433	4.7
163.03958	2.5
173.04517	43.8
175.10078	1.1
181.05034	54.5
191.01987	9.9
191.05594	72.7
192.05949	4.4
193.06142	1.2
209.03026	9.9
233.06750	1.8
336.85510	1.1
337.09393	2.2
355.10370	29.4
356.10709	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	355.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.1
59.01266	11.6
60.99188	1.7
65.99470	0.6
67.01781	4.0
69.03369	1.3
70.76775	1.8
71.01282	3.9
73.02824	0.8
80.18275	0.6
81.03341	1.3
83.04933	1.6
85.02846	6.6
87.00777	6.4
89.02348	1.0
93.03362	33.5
94.03698	1.1
99.00786	0.7
99.04398	0.8
101.02365	1.1
105.03712	0.6
109.02866	0.9
111.00747	0.6
111.04424	8.3
113.02373	1.3
119.04938	7.0
119.97227	0.6
121.02873	100.0
122.03239	3.3
127.03943	1.7
129.01848	1.3
134.03609	0.8
135.04504	0.7
137.02359	0.9
144.69093	0.5
155.03435	3.8
155.11116	0.6
163.03951	2.8
173.04512	53.9
174.04907	2.2
175.02551	0.6
181.05032	73.6
182.05429	3.8
191.05582	72.4
192.05957	3.8
209.02928	0.9
210.47310	0.5
223.08244	0.8
233.06747	3.9
248.80904	0.7
275.17249	0.6
337.09442	4.1
355.10385	46.7
356.10812	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	355.068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	14.4
57.53360	3.3
59.01266	21.6
67.01766	3.5
71.01270	10.9
72.99182	2.9
84.02076	4.1
85.02843	100.0
87.64182	3.2
90.25264	3.0
93.03350	14.6
101.02272	3.2
103.00222	2.8
111.00739	3.4
119.04961	5.3
121.02882	25.7
129.01878	6.2
136.47859	2.9
147.02942	15.9
173.04506	20.7
181.05083	16.9
186.95012	3.6
191.01958	26.3
191.05609	27.0
198.29390	3.5
209.03015	42.5
234.08557	3.0
355.10367	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	354.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69716	0.6
59.01266	100.0
60.01611	1.4
61.98734	1.6
68.02425	2.1
69.44048	1.4
69.44460	5.2
71.01258	1.3
91.48547	0.6
112.93742	0.6
113.02341	0.9
124.76235	0.8
126.99531	0.6
140.47661	0.7
161.04619	0.8
170.31876	0.7
171.89896	0.7
197.02829	0.7
253.26956	0.7
354.14462	0.8
354.18631	1.8
355.19519	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	353.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08138	0.7
59.01266	8.5
61.98711	1.9
70.73719	1.9
71.01264	1.3
72.99203	0.6
85.02837	1.2
89.02337	0.8
90.27781	0.6
91.54446	0.6
101.02405	0.8
115.87317	0.6
121.02850	0.9
127.07551	2.7
135.04471	0.7
139.07581	20.3
139.08672	1.1
140.07918	0.9
149.05995	0.9
157.08652	34.3
158.09016	1.0
161.04492	0.7
170.84389	0.7
179.03343	0.7
183.01166	9.0
183.08177	0.6
183.13867	16.0
184.14240	1.3
191.05603	5.4
194.92828	0.6
194.95477	0.7
195.13896	16.5
196.14232	1.5
213.14955	100.0
214.15297	7.8
267.17935	0.7
270.75989	0.6
353.14069	0.7
353.18021	18.1
353.23419	9.0
354.18396	2.7
354.23520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2341
Annotation	Dihydroflexibilolide
Peak:m/z	Relative Intensity
55.43781	0.4
55.65999	0.4
57.03339	3.3
58.63203	0.5
59.01265	3.3
63.87114	0.4
67.01794	0.4
69.03349	1.9
71.01268	1.8
71.04908	1.7
71.57952	0.5
72.02041	0.7
72.99230	0.5
73.02831	0.9
74.05835	0.4
81.03361	3.4
83.04928	2.8
84.02052	0.7
85.02852	4.4
86.13982	0.5
86.38271	0.5
87.00784	1.0
87.04408	5.6
93.03358	3.3
97.06496	1.2
98.03598	0.6
99.04425	4.5
107.04946	1.5
109.02869	0.5
111.04462	2.3
117.03391	0.4
123.08091	2.7
125.05989	1.0
127.03885	1.1
133.02864	1.1
134.03676	4.3
135.04453	38.6
136.04762	2.2
137.02408	0.7
137.09711	0.4
146.73212	0.4
149.06010	1.2
155.03410	0.8
161.02396	3.6
165.12788	0.5
167.14330	0.5
173.04562	3.2
175.04005	0.4
179.03468	35.7
180.03813	2.4
191.05588	71.6
192.05972	3.7
194.33925	0.5
207.17612	0.4
221.19145	0.4
235.20712	0.9
245.18867	0.5
250.63406	0.5
257.19107	1.1
263.20267	1.2
265.21741	5.2
266.22064	0.6
269.40186	0.5
273.22229	1.6
275.20081	1.0
279.23334	1.0
289.21841	1.4
291.19910	1.3
291.23373	5.5
292.23682	0.6
293.21231	1.3
301.17960	0.7
307.22821	1.3
309.24399	10.0
310.24838	1.3
311.09341	0.5
317.21201	0.5
335.22379	12.0
336.22769	1.4
353.08951	11.1
353.23407	100.0
354.09235	1.6
354.23792	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	353.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38478	0.3
59.01253	1.7
65.07296	0.3
68.55750	0.3
71.28381	0.7
79.95627	10.3
80.96407	1.4
85.02854	0.3
92.26237	0.4
94.97968	0.5
95.95116	1.6
96.95914	71.2
122.97498	4.6
135.04417	0.5
149.06013	2.2
163.02380	0.4
163.27495	0.3
179.03471	0.6
191.05592	4.5
230.41669	0.3
293.08981	0.5
327.64771	0.3
353.20096	100.0
354.20432	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.213
Annotation	Guayulin B
Peak:m/z	Relative Intensity
53.01168	0.2
55.53687	0.2
59.01251	0.4
65.40332	0.3
71.57069	0.2
85.02845	0.3
96.95871	0.2
111.56260	0.2
113.10758	0.2
134.03673	0.3
135.04451	0.3
145.98599	0.2
149.06078	0.7
163.11232	88.7
164.11569	5.7
164.69373	0.2
173.98383	0.2
177.09169	71.3
178.09518	4.4
179.03384	0.5
191.05611	1.5
194.05643	0.3
208.74934	0.2
222.08990	0.3
353.21277	100.0
354.21628	13.5
354.26099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71344	0.8
58.83266	0.9
59.01246	3.5
60.84238	0.8
71.61161	0.8
79.95631	8.7
80.96410	1.8
90.15664	0.7
94.97972	0.8
95.95156	1.9
96.95919	74.9
98.19938	0.8
106.65195	0.8
114.91177	0.8
121.26817	0.7
122.97498	3.2
191.05588	4.5
197.02699	2.2
220.87346	0.8
353.20093	100.0
354.20486	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	353.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73245	0.4
52.74272	0.4
55.01768	0.7
57.03345	0.8
59.01268	43.9
60.01581	0.5
60.99187	0.7
61.98733	0.7
67.01777	1.0
69.23644	3.7
69.24071	1.1
71.01273	7.2
73.02029	0.4
73.02837	2.4
79.65417	0.4
81.03358	0.6
83.01283	0.8
83.04909	0.5
85.02844	8.9
87.00765	3.2
89.02356	2.9
93.03362	9.0
95.01286	0.5
97.00867	0.3
97.23879	0.4
99.00803	1.0
101.02355	5.8
107.04923	1.3
109.02840	0.6
111.04425	2.0
113.02352	3.5
116.32869	0.4
119.03426	1.3
119.04917	0.5
121.02851	0.6
126.04802	0.4
127.03927	1.8
133.02864	0.7
134.03683	1.1
135.04445	7.6
143.03447	0.7
149.06044	1.1
151.90878	0.4
152.59962	0.4
159.03001	0.7
161.02426	2.8
161.04510	6.0
163.03986	0.4
171.02959	0.5
173.04517	9.5
174.04843	0.5
179.03459	9.9
180.03816	0.8
184.87756	0.4
191.05588	100.0
192.05923	4.5
220.84224	0.4
260.26395	0.4
293.16135	18.6
294.16507	1.6
353.08841	8.4
353.12668	1.5
354.09195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.2
59.01262	3.9
67.01774	3.4
69.03342	1.1
70.95874	1.3
71.01269	3.4
72.99203	0.7
77.88554	0.5
81.03352	1.0
83.04916	1.3
85.02841	11.5
86.03150	0.8
87.00760	3.0
93.03361	23.4
94.03686	0.8
99.00792	0.8
99.04382	0.6
101.02337	0.7
107.04946	1.0
109.02849	1.7
111.00777	1.5
111.04430	4.2
113.02311	0.8
117.03392	0.6
125.45370	0.7
127.03946	3.4
133.02859	1.7
134.03668	3.3
135.04451	50.6
136.04807	3.3
137.02397	4.2
138.40852	0.5
149.06026	1.9
155.03442	4.2
161.02382	4.2
171.02924	0.7
173.04509	80.5
174.04858	3.8
179.03462	53.8
180.03783	3.0
191.05583	100.0
192.05934	6.2
213.54965	0.6
242.44429	0.6
244.64354	0.5
353.08841	16.9
353.13174	1.3
354.09244	1.1
366.84305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.0
67.01775	0.6
71.01276	1.0
71.30379	0.5
71.30687	0.6
72.99184	0.5
81.03344	0.7
83.04912	1.0
85.02850	9.1
87.00771	2.0
91.05439	1.6
93.03364	6.8
95.01265	0.7
99.04395	0.5
106.04161	1.0
107.04939	4.6
108.02110	2.2
109.02882	7.6
109.05658	0.4
111.04422	2.3
117.03358	0.6
119.04948	0.7
121.02882	0.8
123.04436	0.5
127.03941	2.4
133.02904	1.4
134.03682	5.2
135.04460	44.5
136.04807	2.9
137.02321	0.6
155.03461	1.8
161.02391	3.1
162.02853	0.6
163.03992	0.9
171.02953	0.9
173.04526	8.8
178.02420	0.4
179.03468	42.0
180.03789	2.1
191.05591	100.0
192.05963	4.9
336.94046	0.5
343.13840	0.5
353.08820	11.2
354.09225	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0888
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
57.03329	0.6
58.32162	0.2
59.01266	13.8
61.98715	0.3
67.01777	0.9
69.03321	0.2
69.57087	1.9
71.01273	4.4
72.99206	0.4
73.02853	0.7
81.03371	0.4
83.01279	0.5
83.04922	0.5
85.02846	7.8
87.00767	2.9
89.02339	3.7
93.03365	7.8
94.03691	0.7
96.95913	0.3
99.00793	0.4
99.04439	0.5
101.02347	3.1
106.04165	0.3
107.04944	0.9
109.02876	0.9
111.04449	1.9
113.02351	2.2
117.03320	0.3
119.03432	1.1
119.04915	1.1
121.02843	0.3
123.42587	0.2
125.02418	0.3
127.03940	1.7
133.02895	1.2
134.03697	1.5
135.04460	16.2
136.04800	0.8
137.02382	0.4
143.03447	0.4
147.08086	0.5
149.06032	1.8
155.03450	0.9
159.02951	0.4
161.02420	2.4
161.04504	1.5
162.02742	0.6
171.02972	0.6
173.04527	8.7
173.06021	0.6
174.04903	0.3
179.03477	17.6
180.03761	1.3
191.05600	100.0
191.07033	4.8
192.05948	5.5
192.07640	0.5
265.55692	0.4
266.06110	0.3
293.16150	3.4
316.20782	0.3
352.58365	0.4
353.08826	9.4
353.12738	2.2
354.09253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75585	0.3
59.01257	1.7
64.88015	0.3
67.01775	0.5
69.03346	0.4
70.77924	1.0
71.01256	1.6
78.47961	0.3
81.03356	0.5
83.04941	0.4
85.02843	9.5
86.03233	0.4
87.00747	1.8
93.03358	4.6
101.77950	0.3
109.02860	0.9
111.00748	0.3
111.04437	1.5
120.17551	0.3
127.03943	2.4
133.02902	0.9
134.03642	1.0
135.04454	7.9
137.02367	0.4
149.06052	0.5
161.02364	1.5
171.02916	0.9
173.04462	2.5
179.03464	5.3
179.60684	0.4
180.03859	0.4
191.05582	100.0
192.05908	4.9
276.64169	0.3
321.02484	0.3
353.08493	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	353.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33455	0.1
55.90923	0.2
57.03343	0.4
59.01265	1.4
65.49297	0.2
67.01757	0.3
69.03326	0.2
71.01256	0.8
73.02822	0.4
78.95791	1.0
79.81366	0.2
81.03355	0.5
83.04917	0.6
85.02840	7.0
87.00774	1.6
91.05441	0.3
93.03352	3.7
94.03690	0.2
96.96856	1.1
99.04434	0.3
102.98500	0.4
106.04166	0.2
107.04911	1.2
108.05295	0.2
109.02882	0.7
111.04429	1.8
113.02346	0.2
117.03363	0.3
127.03935	1.7
129.01843	0.2
130.08682	0.4
133.02869	1.4
134.03674	5.0
135.04448	51.4
136.04776	2.9
136.05740	0.3
137.02385	0.8
145.06119	0.2
149.05968	0.4
151.03990	0.2
155.03468	1.3
161.02374	3.6
162.02731	0.2
171.02979	0.7
173.04517	4.8
176.04086	0.3
176.54135	0.2
178.02596	0.2
179.03459	49.4
180.03816	2.8
184.04497	0.2
191.05582	100.0
192.05937	4.5
233.09503	0.8
234.09848	0.2
271.07349	0.2
317.19897	0.3
326.10730	0.2
353.08859	18.3
354.09167	2.0
354.19354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0886
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
57.03329	0.3
59.01264	1.6
60.99203	0.2
64.03431	0.1
67.01772	0.4
69.03352	0.2
71.01273	0.9
71.58503	0.1
72.99172	0.1
73.02849	0.3
78.95827	0.1
81.03356	0.5
83.04894	0.7
85.02842	7.7
87.00768	1.7
87.01278	0.1
89.03842	0.2
90.28041	0.1
91.05447	0.5
93.03362	4.0
95.04959	0.1
97.84463	0.1
99.04419	0.4
101.50562	0.1
106.04156	0.1
107.04944	1.4
108.02077	0.2
109.02891	0.7
111.04430	2.3
115.19848	0.1
117.03379	0.7
119.42307	0.1
119.60983	0.1
121.02933	0.1
123.97495	0.1
125.02342	0.1
127.03938	1.9
129.01877	0.2
132.02182	0.1
133.02892	1.7
134.03673	6.0
135.04449	60.2
136.04782	3.3
137.02356	0.6
138.02791	0.1
149.05991	0.5
151.03957	0.2
153.01982	0.1
155.03435	1.4
160.00159	0.1
161.02386	4.9
162.02727	0.2
167.01910	0.1
171.02942	0.6
173.04507	4.1
173.06018	0.2
174.04951	0.2
179.03461	52.4
180.03799	2.9
187.94934	0.1
191.05588	100.0
192.05927	4.1
237.83958	0.1
299.01840	0.1
312.27402	0.1
329.10492	0.3
353.08844	17.9
353.23441	0.3
354.05484	0.2
354.09293	1.9
373.08829	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	353.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96104	0.2
52.99473	0.3
57.03322	0.2
59.01260	1.3
67.01770	0.5
69.41379	2.2
71.01266	0.9
78.95782	0.3
80.95113	0.2
81.03353	0.3
85.02840	6.4
87.00771	1.5
93.03365	2.8
98.19872	0.7
98.20541	0.4
99.04414	0.4
108.50448	0.2
109.02865	1.4
111.04429	0.9
127.03931	1.7
133.02885	1.5
134.03633	0.9
135.04451	6.1
136.04778	0.8
137.02362	0.4
149.06029	2.5
150.06334	0.4
152.99570	0.5
155.03435	0.3
161.02383	3.8
166.35518	0.2
170.61688	0.2
171.02930	0.3
173.04521	2.9
179.03465	5.5
180.03781	0.5
191.05583	100.0
192.05946	4.7
202.05299	0.2
260.79489	0.3
272.55228	0.2
353.08972	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	353.0887
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.47914	0.2
57.03334	0.3
59.01266	1.9
60.99187	0.7
67.01777	1.6
69.03340	0.7
69.90825	1.0
71.01270	1.5
71.58710	0.2
72.99208	0.3
73.02850	0.5
81.03348	0.6
83.04919	0.5
85.02840	9.1
86.03177	0.2
87.00771	3.2
93.03360	10.7
94.03702	0.5
99.00775	0.5
99.04405	0.5
101.05991	0.4
101.56111	0.2
103.16872	0.2
106.04137	0.4
107.04961	1.2
108.02081	0.4
109.02858	1.6
111.04438	2.7
113.02337	0.4
119.04938	0.5
121.02885	0.4
125.02366	0.3
127.03936	2.2
129.01860	0.2
133.02852	1.0
134.03627	0.4
135.04443	1.7
136.04773	0.3
137.02371	0.3
143.03372	0.2
149.06042	1.9
153.01903	0.3
155.03421	0.5
161.02417	2.0
163.04019	0.3
171.02939	0.6
173.04510	10.5
174.04848	0.5
179.03456	5.3
180.03761	0.2
191.05583	100.0
192.05919	5.0
235.83400	0.2
274.09201	0.2
353.08847	6.6
353.13107	0.3
354.09113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0888
Annotation	cis-chlorogenic acid
Peak:m/z	Relative Intensity
59.01267	2.6
59.77475	0.6
67.01773	1.4
69.60787	4.2
71.01260	1.6
71.85144	0.6
73.02872	0.6
78.55196	0.6
81.03356	0.8
83.04938	0.6
85.02840	7.8
87.00763	4.1
93.03352	9.3
94.03693	0.7
96.04562	0.5
107.04947	1.0
109.02856	1.4
111.00769	1.3
111.04420	2.7
117.03355	2.6
119.04952	5.8
127.03944	1.5
129.01862	1.6
133.02863	1.0
135.04443	3.1
145.02890	12.7
146.03206	0.6
149.06018	2.4
161.02393	2.7
161.38484	0.7
163.03967	8.2
173.04509	10.9
179.03470	6.7
191.05586	100.0
192.05910	6.7
207.05089	1.1
353.08899	7.6
354.09128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23344	0.1
55.07280	0.1
56.66216	0.1
57.03337	0.3
59.01264	1.1
65.52679	0.2
67.01759	0.2
69.03353	0.2
70.47872	0.6
71.01286	0.7
73.02843	0.3
83.04909	0.3
85.02841	8.6
87.00768	1.8
93.03362	3.3
99.04420	0.4
104.53817	0.2
109.02870	0.8
111.04442	1.3
127.03920	1.9
133.02875	0.6
134.03683	0.2
135.04439	1.7
149.05925	0.7
155.03375	0.2
161.02382	1.8
171.02965	0.4
173.04504	1.3
174.04753	0.2
179.03426	1.2
191.05580	100.0
192.05916	4.9
318.11203	0.2
339.40021	0.2
353.08936	1.5
365.63907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0886
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.18935	0.1
53.98098	0.1
57.03346	0.2
59.01262	1.4
60.99182	0.1
65.38181	0.1
67.01774	0.4
68.21542	0.1
69.03352	0.2
70.34833	0.2
70.35226	0.3
71.01261	0.8
73.02835	0.3
74.80282	0.1
81.03345	0.4
83.04906	0.3
85.02843	7.0
86.03181	0.2
87.00768	1.7
93.03358	4.1
93.03928	0.3
99.04431	0.4
101.02341	0.2
102.98503	0.3
107.04939	0.4
109.02879	0.7
111.04422	1.1
113.02354	0.3
127.02965	0.2
127.03925	1.9
133.02893	1.0
134.03703	0.8
135.04456	8.7
136.04774	1.5
137.02382	0.6
149.05981	0.9
150.03232	0.1
151.03960	0.2
155.03429	0.6
161.02385	2.6
162.02829	0.2
171.02948	0.5
173.04523	4.8
173.06030	0.3
174.04910	0.1
176.03964	0.5
179.03458	7.4
180.03764	0.8
191.05582	100.0
192.05946	4.2
294.05331	0.1
338.07843	0.2
353.08859	2.9
353.19745	0.2
354.09302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.3
59.01259	1.6
67.01764	0.3
69.03352	0.3
69.34951	1.5
71.01283	0.9
73.02839	0.5
79.05431	0.2
81.03362	0.6
83.01261	0.3
83.04917	1.0
85.02843	9.9
87.00772	1.8
91.05439	0.5
93.03354	5.1
99.04429	0.6
106.04157	0.4
107.04937	2.0
108.02109	0.2
109.02843	0.9
111.04424	2.8
117.03382	0.7
117.56880	0.2
127.03928	2.5
129.01883	0.3
132.02055	0.2
133.02884	1.5
134.03673	7.5
135.04449	69.1
136.04794	3.0
137.02370	0.5
149.06017	0.4
155.03445	1.3
160.01593	0.5
161.02393	3.5
171.02936	0.7
173.04510	3.4
175.03944	0.4
179.03459	44.8
180.03802	2.6
191.05583	100.0
192.05920	4.5
193.05125	0.2
311.30267	0.2
344.08475	0.2
353.08838	13.0
354.09283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22735	0.2
56.98148	0.1
57.03333	0.2
59.01257	1.4
67.01778	0.2
69.03348	0.2
70.92220	0.4
71.01262	0.6
73.02834	0.3
81.03339	0.3
83.04922	0.3
83.47771	0.2
85.02843	7.4
86.03219	0.1
87.00777	1.4
93.03358	3.3
99.04401	0.2
109.02876	1.0
111.04430	1.2
113.02324	0.2
127.03931	2.0
133.02856	0.8
134.03696	0.3
135.04448	4.4
136.04750	0.9
137.02364	0.3
149.06026	0.8
155.03358	0.2
161.02391	2.8
171.02953	0.7
172.59349	0.2
173.04512	2.5
179.03452	3.5
180.03735	0.4
191.05583	100.0
192.05916	4.5
193.05113	0.2
226.08136	0.2
255.48163	0.2
272.64029	0.2
339.41882	0.2
353.08856	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0887
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.21737	0.2
57.03331	0.4
59.01265	2.5
62.03304	0.2
67.01766	0.4
69.03357	0.2
70.77749	0.3
71.01273	1.3
72.99213	0.2
73.02856	0.3
81.03377	0.4
83.04932	0.4
85.02844	7.2
86.03220	0.2
87.00771	1.6
88.88326	0.2
89.02338	0.4
93.03365	3.9
94.03674	0.2
99.00784	0.3
99.04436	0.3
101.02343	0.3
103.03933	0.2
107.04897	0.5
109.02851	0.6
111.00797	0.5
111.04427	1.6
113.02357	0.5
117.03356	0.2
127.03944	1.9
128.12540	0.2
133.02888	0.7
134.03693	1.3
135.04454	13.3
136.04784	0.7
137.02400	0.2
155.03458	0.7
161.02393	2.2
161.04463	0.3
161.13666	0.2
171.02943	0.5
172.85843	0.2
173.04510	3.3
174.04968	0.2
179.03468	13.7
180.03835	0.7
191.05586	100.0
192.05930	4.9
221.10362	0.3
353.08945	5.7
353.14670	0.7
354.09247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.8
59.01271	2.5
60.99189	0.5
67.01776	4.1
69.03336	0.9
70.71229	0.7
70.71555	0.4
71.01270	3.6
78.95801	1.0
81.03358	0.9
83.04920	0.8
85.02845	7.9
86.03213	0.4
87.00761	2.1
91.05454	0.4
93.03357	25.2
94.03703	0.9
96.96872	1.6
99.04432	0.4
101.02361	0.4
107.04926	0.9
109.02866	1.9
111.00783	0.7
111.04421	5.6
113.02344	0.8
117.03372	0.5
118.79538	0.3
127.03925	1.9
133.02927	1.8
134.03651	4.2
135.04446	70.5
136.04784	3.5
137.02383	5.4
141.84146	0.3
155.03418	5.0
161.02400	3.8
173.04510	100.0
174.04877	4.4
175.03960	0.9
179.03462	68.8
180.03786	3.7
191.05594	58.5
192.05917	2.9
231.95682	0.4
233.09419	0.6
353.08832	17.0
354.09018	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	353.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32132	0.1
51.78308	0.1
57.03311	0.1
58.13365	0.2
59.01262	1.8
63.31348	0.1
67.01771	0.5
69.03327	0.3
71.01277	1.0
71.57552	0.4
72.61885	0.1
73.02862	0.2
78.55644	0.2
81.03350	0.4
83.01265	0.2
83.04910	0.6
85.02843	8.1
87.00779	1.4
91.05425	0.4
93.03360	3.7
94.03681	0.2
96.86442	0.1
96.95914	0.6
99.04387	0.3
101.02374	0.2
106.04131	0.2
107.04926	1.3
109.02869	0.8
111.04427	2.3
113.02347	0.2
117.03378	0.3
125.02325	0.2
127.03911	2.1
129.01859	0.3
129.38155	0.1
133.02864	1.5
134.03676	5.1
135.04449	57.1
136.04767	2.9
137.02338	0.6
149.06036	0.5
151.03844	0.2
155.03445	1.5
157.79034	0.2
160.01591	0.5
161.02399	3.6
162.02689	0.2
171.02921	0.6
173.04521	5.1
175.03979	0.5
179.03461	50.5
180.03784	3.2
191.05582	100.0
192.05930	4.1
193.05147	0.3
266.06027	0.3
293.10336	0.3
302.87607	0.2
349.54688	0.2
353.08871	16.7
353.12482	0.6
354.09259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1197
Annotation	Gouregine
Peak:m/z	Relative Intensity
52.73179	0.7
57.03325	2.3
59.01249	3.8
63.85104	0.8
65.00220	1.3
65.57066	0.8
68.99677	0.8
71.01271	0.8
71.57068	0.7
81.03353	4.3
82.98373	0.7
83.01278	4.6
84.21710	0.7
85.02861	1.7
85.06477	3.4
87.04400	1.9
93.03393	1.3
95.01279	1.3
109.02870	2.8
109.06497	11.6
111.04430	13.8
112.04756	1.1
113.05995	1.7
116.04973	59.6
117.05309	1.8
121.02848	1.0
123.00801	2.5
124.01597	4.4
125.02375	24.3
125.05899	0.8
127.07555	4.2
135.04440	5.5
137.02373	20.1
140.04974	1.0
142.06564	6.7
144.04453	0.9
149.06035	14.6
151.00293	0.8
151.07584	25.4
152.01112	7.8
152.08006	1.3
153.05566	4.5
154.06584	2.4
161.02382	1.2
163.00313	4.2
163.07567	1.7
165.01863	2.7
166.02582	1.3
166.06567	1.8
168.08154	1.4
170.06055	11.5
171.06471	1.1
173.04480	1.3
179.03465	4.9
179.07144	2.2
181.05289	1.2
184.07681	0.8
184.11230	0.8
189.05539	3.6
191.05562	11.6
191.07112	1.9
194.06049	7.9
195.06607	91.9
196.07378	5.0
198.05562	12.9
207.06613	62.4
208.07132	3.9
210.05550	2.9
210.09296	2.2
212.07214	6.3
213.74554	0.9
222.05653	4.5
223.06221	0.8
234.05510	1.3
235.06126	27.3
236.06644	2.3
238.05087	1.1
238.08763	1.8
240.06667	10.3
261.80487	0.9
265.11185	1.6
266.11877	2.8
280.13406	1.4
282.07758	5.4
282.10547	0.8
308.12918	1.0
308.23181	2.4
324.12491	13.5
325.12875	1.2
334.11044	1.4
352.11972	100.0
352.21954	3.8
353.12399	11.7
353.23270	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	351.2186
Annotation	Neorustmicin C
Peak:m/z	Relative Intensity
57.03339	2.2
57.16988	0.2
59.01266	2.6
60.99174	0.3
67.01775	0.6
69.03348	1.1
69.23099	0.7
69.23515	2.2
70.77445	0.2
71.01274	4.9
71.04916	1.6
72.02059	2.9
73.02843	2.4
73.27290	0.2
81.03346	1.6
83.04919	4.3
85.02831	1.2
87.00757	1.0
87.04411	6.0
93.03362	3.0
95.04918	0.9
96.95907	0.4
97.02853	6.9
97.06484	1.4
98.03629	0.6
98.20592	0.4
99.04424	1.1
105.03365	0.6
105.06972	0.3
107.04932	0.4
108.02088	0.6
109.02858	3.7
109.06509	0.4
110.03661	0.3
111.04442	1.1
114.37295	0.2
121.02855	0.4
121.06492	0.3
123.04454	0.5
123.08072	1.7
124.01569	0.7
125.02363	0.7
125.06005	0.4
125.09627	0.3
127.07517	0.3
133.02879	6.8
134.03691	1.1
135.04448	13.0
135.08112	0.3
137.02310	0.5
137.09642	0.9
139.07565	0.3
145.10156	0.3
149.09615	0.4
150.03120	1.2
151.03925	1.5
155.03383	0.3
161.02362	0.9
161.09657	0.3
163.11328	0.5
165.09163	0.8
169.10205	0.3
173.04517	2.9
177.01892	2.1
177.12793	0.3
178.02524	0.6
179.03464	4.1
180.04268	0.2
187.11237	0.6
189.09183	0.8
189.12798	0.9
191.05597	4.9
191.10747	1.0
192.05925	0.3
203.14267	0.6
205.15981	1.4
207.13959	0.4
215.05632	2.6
219.17558	0.3
223.17088	0.3
229.15878	0.3
233.15492	11.0
234.15811	0.9
243.17563	0.7
245.15549	0.2
245.19109	0.5
249.14970	1.1
251.16577	0.3
255.17517	0.3
257.15497	0.2
259.20734	0.7
260.20892	0.2
261.18668	1.4
263.20233	1.1
269.19193	0.5
271.20740	0.9
273.18619	1.0
277.18060	0.4
277.21588	0.3
285.18872	0.4
287.16663	0.5
287.19946	0.3
288.44864	0.3
289.18161	1.4
289.21771	3.4
290.22116	0.6
291.19757	0.3
297.18527	0.5
299.16620	2.5
300.16956	0.5
305.17752	0.4
307.08353	0.3
307.22867	2.3
308.09052	0.3
308.23453	0.3
315.19702	3.8
316.20020	0.3
317.17548	1.4
318.18286	0.8
331.19241	0.5
333.20795	18.1
334.21085	2.4
335.18597	0.4
349.20328	2.0
350.20880	0.3
351.07516	1.6
351.21838	100.0
352.07684	0.3
352.22171	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	352.1049
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.82824	0.4
55.19167	0.4
56.75479	0.4
59.01266	19.4
61.98690	1.2
67.01740	1.2
69.03320	1.0
69.84874	0.9
69.85282	1.6
71.00905	0.5
71.01272	8.8
72.99171	0.7
73.02838	9.4
77.39112	0.4
78.85275	0.4
78.95753	0.5
81.03370	0.7
83.01286	2.3
83.04926	0.6
85.02355	0.6
85.02848	11.5
87.00768	4.9
89.02311	1.7
90.22645	0.4
92.04936	1.5
93.03365	7.9
93.26390	0.5
96.95916	0.4
98.20522	0.8
99.00768	1.2
99.04394	0.7
101.01801	0.6
101.02351	6.5
104.28407	0.5
105.79646	0.4
109.02855	0.8
111.00766	0.6
111.04416	2.8
113.02340	2.4
116.04943	1.1
118.02869	1.3
119.04869	0.6
120.04417	1.0
125.02371	0.5
127.03918	2.1
127.39615	0.5
129.01854	0.4
131.03664	0.8
132.04449	4.2
133.02858	1.7
134.03424	0.7
135.04442	4.8
137.02431	0.4
143.03384	0.9
144.04453	3.9
146.02420	17.5
146.06053	0.6
147.03203	15.9
148.04036	3.2
149.05989	1.8
150.05582	0.5
155.03406	1.2
158.06093	1.0
159.03195	0.5
159.04483	0.4
160.03976	16.7
161.02370	2.3
161.04420	1.6
163.03851	0.4
164.75606	0.4
171.03004	0.8
172.04027	3.2
173.04485	5.3
174.05632	2.8
178.02415	0.4
179.02197	1.6
179.03615	2.1
185.04813	0.8
186.05557	1.9
191.05585	100.0
192.05902	1.8
202.05112	3.4
214.05066	3.2
216.53134	0.4
230.65407	0.5
237.05678	0.6
239.04054	0.4
239.07173	0.6
243.05916	1.6
249.05557	0.5
250.06433	0.4
251.07178	1.0
265.07455	1.0
265.57431	0.5
267.06754	1.2
292.08383	1.4
295.06128	2.1
310.09427	1.4
339.05176	8.2
340.05630	1.4
352.10532	19.1
352.59882	0.6
353.08463	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	351.2184
Annotation	Sinuflexolide
Peak:m/z	Relative Intensity
51.65413	0.5
57.06761	0.5
58.94932	0.6
59.01268	4.6
59.98389	1.6
71.01298	0.6
85.02861	4.4
100.28152	0.6
123.08110	0.9
127.07578	62.5
128.07910	2.2
156.15703	0.6
163.11221	1.0
181.12354	0.9
183.13834	1.4
234.25626	0.6
255.17502	0.9
258.11029	0.6
289.21725	2.3
307.22864	100.0
308.23166	12.4
351.21857	37.3
351.26337	1.1
352.19043	0.5
352.22287	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	351.2187
Annotation	Neorustmicin D
Peak:m/z	Relative Intensity
57.03335	2.2
59.01268	5.4
59.98409	1.0
60.91568	0.6
69.03344	1.7
70.08337	0.6
71.04908	2.3
71.60802	1.2
77.45222	0.5
83.04914	2.5
85.02834	0.7
95.21352	0.6
97.06497	5.4
98.06821	2.1
98.07404	0.5
99.04426	4.4
101.02364	1.0
107.04878	0.7
111.04444	4.2
121.06522	9.8
123.08070	3.0
125.09636	2.2
133.02887	1.0
135.04445	0.7
137.09665	2.0
151.11186	2.0
161.04527	0.5
163.11134	0.9
165.12671	0.7
167.10773	1.4
173.04408	0.7
191.05592	0.7
219.17604	0.7
233.15572	0.6
247.91556	0.6
251.16533	11.9
252.16916	0.7
257.19186	1.3
271.20770	1.1
289.21893	1.2
291.10849	0.6
301.18436	0.9
305.21268	0.8
307.22891	1.3
317.21353	7.6
318.21982	0.9
333.20193	2.3
351.21832	100.0
352.22119	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	351.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95470	0.4
59.01268	100.0
60.01608	1.2
61.77231	0.4
70.33038	1.3
71.01285	1.2
71.52513	0.4
78.95798	0.9
81.18109	0.4
85.02879	0.8
87.00765	0.7
93.03376	2.1
96.95937	0.8
100.98491	0.5
101.02362	0.4
102.98512	1.2
105.38294	0.4
113.02367	0.6
133.02864	2.1
135.04512	0.8
161.04457	0.7
169.06519	3.4
173.04495	1.5
174.05589	0.4
177.01923	0.7
185.23969	0.4
191.05544	2.6
203.05402	2.6
203.11136	0.6
221.06395	5.4
261.70554	0.5
309.08218	1.2
351.10327	0.6
351.15063	1.2
351.21719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20163	0.3
53.65221	0.3
57.03321	0.4
59.01265	100.0
60.01606	1.0
62.76474	0.3
67.01773	0.7
69.78864	2.2
71.01270	3.2
73.02845	1.0
81.03336	0.7
83.01304	0.6
83.04946	0.5
85.02840	2.4
87.00787	1.5
93.03362	3.3
95.04955	1.2
96.77219	0.5
96.80459	0.4
96.95901	0.5
97.02840	0.4
98.19853	0.5
99.00798	0.5
99.04417	9.8
101.02338	2.3
102.98498	0.4
103.77681	0.3
105.03356	2.9
107.04982	0.5
109.02873	1.2
111.04443	1.0
113.02390	1.0
121.02891	1.3
123.04432	2.4
124.01618	0.7
125.02392	0.8
127.03944	0.5
132.02104	0.8
133.02885	34.2
134.03755	3.8
135.04454	14.2
137.02368	3.9
139.03951	1.0
145.02855	0.4
149.02379	0.8
149.06009	0.5
150.03149	1.7
151.03931	2.6
155.03481	0.8
161.02431	0.9
161.04457	1.7
163.03899	0.4
173.04497	5.2
177.01895	9.2
178.02666	4.0
179.03465	3.7
189.03954	0.6
191.05598	4.1
195.03017	0.4
211.13437	0.4
215.05727	1.4
221.06444	0.6
245.12177	0.6
263.13248	0.4
265.90854	0.3
269.10263	1.7
307.08371	0.5
307.19299	0.6
308.09125	0.7
351.07385	3.6
351.14777	2.0
351.18533	0.4
352.07983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37276	1.5
57.03338	2.0
59.01266	27.4
69.03336	1.6
69.70449	2.7
69.70862	6.2
71.01269	20.4
72.99207	6.4
73.02837	2.8
75.00761	15.6
78.95782	1.6
80.98343	1.5
83.91594	1.4
85.02838	19.2
85.39954	1.5
87.00780	9.0
89.02323	6.3
93.03345	8.3
95.01289	6.3
99.00780	8.7
101.02337	2.4
101.05985	86.1
102.06380	1.5
103.00291	1.6
103.45944	1.6
105.03328	3.6
111.00787	1.8
113.02361	27.6
115.00291	2.0
117.01828	2.4
119.04925	2.4
123.04460	2.1
129.01903	1.7
133.02876	15.3
134.03668	1.4
135.04395	3.6
141.31479	1.3
171.10188	1.5
173.04523	5.7
175.02457	3.6
177.01929	6.0
178.02426	1.4
191.05582	14.0
205.07120	1.9
212.81471	1.4
231.05060	2.3
249.06178	3.8
253.12288	1.5
265.07358	2.1
267.07269	4.3
285.52914	1.5
290.76105	1.6
291.10861	1.7
333.11798	2.8
351.13046	100.0
352.09821	3.5
352.13446	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	351.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61035	0.4
54.69690	0.5
55.01776	0.7
57.03339	1.0
59.01263	100.0
60.01601	1.2
69.03324	0.5
69.42384	4.6
71.01270	14.5
72.99200	0.5
73.02834	5.4
81.03348	0.7
83.01293	1.9
85.02837	9.1
86.00019	0.6
87.00784	4.3
89.02342	2.9
93.03355	4.1
95.01305	1.3
95.04965	0.6
96.95892	0.5
98.20566	1.1
99.00799	2.0
101.02354	11.4
105.03365	1.6
109.02897	1.9
111.04460	1.1
113.02354	6.9
119.03406	1.3
123.04453	0.6
125.02393	0.9
127.03886	0.5
129.01826	0.7
129.09157	0.7
133.02879	12.1
134.03627	0.7
135.04445	5.9
137.02371	0.9
143.03429	0.9
151.04001	0.8
155.03444	1.0
159.03001	2.3
159.04340	0.5
161.02429	1.5
161.04500	14.3
170.51096	0.5
173.04504	3.3
176.04019	1.9
177.01875	3.9
179.03471	3.3
185.00623	0.5
191.05573	16.9
201.11319	5.9
215.05605	0.8
243.05983	1.7
260.77530	0.6
265.05447	4.0
291.14578	13.0
292.15063	1.7
339.05362	1.6
351.07346	2.8
351.11661	0.4
351.16763	2.3
352.08548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35947	0.7
55.01765	1.1
57.03339	2.0
58.00493	0.9
59.00996	1.1
59.01266	17.7
67.01775	2.5
68.99706	1.1
69.03345	1.1
69.48965	6.4
69.50076	0.7
69.92184	0.6
71.01269	14.8
72.19053	0.7
72.99206	6.9
73.02834	2.4
75.00768	16.5
79.67690	0.7
80.04937	1.7
81.36189	0.8
82.22656	0.6
83.04907	0.8
85.02848	19.5
87.00778	8.2
89.02338	3.5
92.04947	2.7
93.03355	9.6
95.01288	4.2
99.00776	9.8
100.01066	0.7
101.02328	1.5
101.05991	100.0
102.06317	2.1
103.00278	1.2
105.03386	0.9
108.04465	1.4
109.02857	1.9
110.06052	1.5
111.00806	1.1
111.04412	2.2
113.02365	20.8
114.89487	0.8
115.00294	1.6
117.01835	2.1
119.03452	0.8
119.04940	1.1
120.04468	1.6
122.06068	6.5
123.04435	1.9
129.01860	2.2
133.02913	5.5
134.03699	1.1
135.04428	2.8
136.03906	1.0
136.36334	0.6
138.05542	4.9
150.05533	4.1
155.03485	0.8
161.04466	0.9
166.05019	2.7
167.05821	1.1
168.06671	3.7
173.04539	6.8
175.02420	2.4
177.01942	0.9
179.03458	1.9
189.14960	0.7
191.05600	21.5
194.04581	1.3
205.07153	0.8
210.04027	1.4
212.05653	12.7
226.06361	0.8
231.05122	2.4
238.92854	0.7
249.06213	12.8
250.06673	1.3
267.07129	2.2
291.10849	0.9
307.12915	3.3
333.11981	2.3
339.05020	1.6
351.13034	69.7
351.16373	2.6
352.09790	1.7
352.13425	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96024	0.6
59.01266	18.7
69.42506	5.9
71.01270	3.3
71.04909	1.5
85.02842	2.1
89.02338	3.2
94.47008	0.8
96.95979	0.8
97.02856	9.4
98.20500	1.7
99.00780	0.9
99.04424	0.8
99.67384	0.7
101.02341	1.5
104.98040	0.8
109.02872	2.1
113.02386	1.2
121.06525	1.3
122.97163	0.7
123.08082	2.7
127.07575	40.4
128.07913	1.1
133.02898	1.2
135.04451	0.9
137.02417	1.3
137.09596	0.8
145.02957	0.8
147.08080	1.2
161.02396	3.2
161.09680	1.0
163.11322	0.9
165.05562	3.2
165.09172	2.3
173.06195	0.8
191.05577	0.8
191.07104	21.9
192.07487	1.3
203.14302	3.5
205.08687	17.4
206.09296	2.2
207.10216	2.1
221.08257	3.2
224.10562	1.6
256.09711	0.8
265.41397	0.9
269.19156	1.8
285.18561	0.9
287.20227	1.6
303.45660	0.8
305.21320	1.7
313.18170	18.8
314.18616	2.3
331.19229	95.4
332.19565	10.5
349.20291	100.0
350.20691	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	349.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05836	0.6
57.03326	1.2
57.28192	0.5
59.01268	11.0
59.43867	0.6
62.33545	0.5
69.03329	1.4
70.90412	0.6
70.90738	1.1
71.01272	1.1
71.04885	0.8
71.34385	0.6
76.14754	0.6
81.03358	0.7
83.04903	1.4
85.02821	1.0
88.63024	0.7
89.02325	1.1
95.04887	0.7
97.02264	0.8
97.02853	11.8
97.06469	1.6
97.57389	0.5
101.02309	1.1
107.04839	0.8
109.02840	2.5
109.06486	1.0
111.04404	0.8
112.23988	0.6
113.02329	0.7
121.06525	1.4
123.04359	0.8
123.08058	3.2
125.09664	0.6
127.07575	52.3
128.07918	1.3
137.09517	0.6
147.08070	1.3
153.99107	0.6
160.01611	0.8
161.09616	2.1
163.11263	0.9
165.05513	2.7
165.09122	3.3
179.10770	0.8
189.12790	0.6
191.07109	25.0
192.07408	1.4
203.14403	5.2
205.08678	19.7
206.09216	2.4
207.10287	3.2
209.08179	0.7
217.15836	0.7
221.08205	2.8
224.10410	1.3
247.16945	0.6
256.09604	0.8
257.39667	0.6
269.19147	2.6
285.18582	0.9
287.20166	1.9
289.18164	0.6
305.21262	1.1
313.18182	25.0
314.18478	2.5
331.19229	100.0
332.19598	9.9
349.20288	97.9
350.20679	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	349.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.8
59.01263	6.0
61.27895	0.4
69.68155	2.7
71.04912	0.8
76.79029	0.5
83.04917	1.0
85.02851	0.6
97.02850	7.9
97.06483	9.0
98.20533	0.7
99.33878	0.4
105.06990	0.4
107.04906	0.5
109.02864	0.8
109.06503	1.8
119.04940	0.4
121.06505	1.8
123.08079	1.5
127.07569	54.4
128.07907	2.1
137.65935	0.4
145.02866	0.9
147.08102	2.6
161.09668	4.8
163.07663	0.5
163.11241	4.4
165.09213	1.2
179.10785	0.5
191.07101	20.6
192.07458	1.2
203.14375	2.1
205.08684	20.1
206.09229	2.1
207.10251	1.7
209.08148	0.5
221.08194	2.4
224.10541	0.8
234.56526	0.4
256.09592	0.7
269.19101	2.0
285.18671	1.0
287.20215	1.5
305.21170	2.0
313.14413	0.8
313.18161	16.4
314.18585	2.3
331.19208	100.0
332.19568	13.6
349.20267	87.2
350.20602	12.1
357.87897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	6.0
59.98370	0.6
61.35809	0.5
69.03343	11.0
69.41692	2.7
69.42122	2.6
71.01257	1.2
71.04900	3.3
73.02811	2.1
85.02829	0.8
87.00749	0.9
97.02814	1.0
101.02285	0.8
106.84057	0.5
106.92773	0.6
109.46152	0.6
113.02304	0.6
117.15443	0.6
123.08035	1.9
127.07551	5.9
132.13203	0.7
151.11177	1.5
153.09132	1.3
165.09116	0.6
191.07100	1.2
205.08575	1.3
261.22238	0.6
287.20145	1.1
305.21277	86.5
306.21613	10.6
313.18137	1.0
331.19131	6.7
349.20279	100.0
350.20551	11.8
350.24774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	10.0
59.98382	0.8
60.79245	0.9
70.34214	3.5
97.02845	8.3
109.06532	1.2
121.06567	1.5
123.08075	2.2
123.89597	1.0
127.07568	52.4
128.07898	1.6
147.08072	3.4
161.09612	4.6
163.11188	4.6
165.09192	2.4
180.11449	1.7
191.07098	20.9
192.07475	1.8
196.69081	0.9
203.14464	2.6
205.08699	19.3
206.09242	1.6
207.10454	1.3
221.08267	1.1
269.19138	1.4
287.20279	1.7
305.21301	1.2
313.18161	18.7
314.18652	1.8
331.19211	100.0
332.19522	12.1
349.20279	86.2
350.20593	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	349.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	9.5
69.11423	0.6
71.01260	1.3
71.04903	3.0
71.56526	1.2
83.01290	0.7
83.04878	0.6
85.02846	6.9
86.08737	0.6
93.03367	0.7
97.02847	4.3
97.06494	97.2
98.06811	3.1
101.02367	0.8
107.04938	8.4
109.02869	1.1
109.06492	5.7
120.23804	0.6
123.08086	1.2
125.09669	1.3
127.07561	2.3
135.08086	1.1
138.32817	0.6
161.09688	1.2
163.11249	1.8
165.05521	1.2
191.07103	1.6
205.08667	2.1
233.11894	1.7
234.44928	0.7
245.19180	1.7
251.06990	0.7
260.94937	0.6
261.22284	1.3
269.19122	0.8
271.17111	3.6
287.20181	1.4
305.21313	5.9
331.19205	30.3
332.19571	3.4
349.20282	100.0
350.20627	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	349.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07190	0.5
57.28041	0.6
59.01266	15.4
59.01539	0.8
70.48139	1.5
70.48489	1.1
71.01281	5.6
72.35459	0.6
81.03330	0.7
85.02810	1.6
89.02344	6.7
95.01250	1.0
96.76743	0.6
97.02860	8.4
97.06438	2.6
101.02322	3.2
109.02818	2.2
109.61692	0.6
113.02364	1.3
114.20458	0.5
119.03396	2.9
123.08047	1.6
127.07580	40.0
128.07884	1.5
137.02380	0.8
147.08046	0.9
161.09680	1.3
165.05476	1.5
165.09120	2.1
169.12329	5.8
179.05553	1.2
189.12726	0.9
191.07112	19.5
192.07426	1.7
203.14366	3.1
205.08693	16.6
206.09290	2.2
207.10194	2.7
221.08195	2.5
224.10612	1.2
243.50491	0.6
256.09677	0.7
269.19104	1.5
271.17218	0.7
285.18692	1.5
287.20178	0.7
305.21164	1.7
313.18188	19.4
314.18567	3.1
331.19232	100.0
332.19586	14.0
332.23373	1.0
349.20279	94.1
350.20612	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	349.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.1
59.01264	11.8
65.01582	0.5
69.38211	4.8
71.01283	0.7
81.03351	0.5
85.02828	1.1
89.02378	0.5
97.02851	6.8
97.06512	0.9
98.19804	0.7
109.02865	1.1
109.06488	0.6
115.22083	0.5
118.37555	0.4
121.06503	0.9
123.08101	2.4
127.07571	52.8
128.07916	1.8
128.43109	0.4
145.06548	0.5
147.08119	2.7
151.91367	0.5
161.09669	4.8
163.07629	0.6
163.11192	3.3
165.09166	2.0
179.10875	0.5
191.07108	24.3
192.07481	1.4
203.14400	2.1
205.08685	20.4
205.10645	0.5
206.09041	1.8
207.10266	1.4
209.08267	0.7
221.08235	2.0
223.35234	0.5
224.10530	0.8
233.15459	0.5
256.09561	0.8
269.19159	2.2
283.17099	0.6
287.20343	0.9
305.21332	1.1
313.18167	18.3
314.18518	1.7
331.19223	100.0
332.19635	11.5
349.20273	87.3
350.20609	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	349.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06186	0.8
57.03299	1.1
59.01267	19.7
69.03322	1.3
71.01277	5.5
71.04901	2.8
71.58024	0.7
71.58520	1.2
72.99174	0.8
73.02826	0.9
85.02834	4.9
87.00764	2.6
89.02344	4.7
97.02850	4.5
97.06493	100.0
98.06831	2.7
99.00756	0.9
101.02349	4.3
101.18441	0.8
107.04930	3.4
109.02877	1.3
109.06507	2.9
113.02361	2.8
119.03412	1.8
122.52552	0.7
123.08087	2.2
125.09674	2.1
127.07562	6.0
141.12802	5.7
141.20737	0.8
147.04417	1.1
161.09689	1.0
163.11249	1.1
169.12328	1.8
183.13954	1.0
185.57547	0.7
187.13353	9.4
191.07156	3.2
201.03963	1.3
205.08771	2.1
207.10179	1.3
209.68690	0.9
233.11647	3.6
245.19191	1.3
251.12840	1.5
261.22330	3.4
271.17151	1.7
287.20239	2.6
289.18332	0.9
301.18436	0.8
305.21448	2.6
313.18307	2.1
331.19214	45.9
332.19550	5.4
349.20285	98.3
350.20657	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	349.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82772	0.8
55.01775	1.1
57.03333	3.3
58.00472	3.5
59.01264	100.0
69.03374	1.1
71.01267	58.9
71.37298	2.3
72.01591	1.9
72.99212	3.2
73.02850	0.9
74.18008	1.0
83.01277	2.4
85.02840	11.1
87.00773	3.7
89.02336	63.6
95.01292	2.9
97.02854	3.1
97.06492	1.2
101.02340	31.2
111.08170	1.3
113.02351	20.4
119.03425	27.8
119.04263	1.9
121.06528	2.9
123.08061	2.3
124.19659	0.9
127.07567	9.0
131.03416	2.4
134.66148	1.2
143.03461	3.9
145.02873	1.9
149.04533	1.3
161.04485	3.5
161.09669	1.1
169.12296	48.2
170.12700	3.1
179.05574	9.1
189.86008	0.9
191.07109	5.0
205.08755	4.4
205.68320	0.9
221.08224	1.0
265.62576	1.1
305.21286	6.0
313.18216	3.8
331.19162	23.4
331.22931	1.3
332.19720	2.0
349.20300	38.8
350.20630	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1876
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01768	1.4
57.03341	1.5
58.00470	3.3
59.01267	100.0
66.06728	0.7
68.55335	0.7
71.01273	51.6
71.04909	1.2
71.34408	1.1
72.01603	0.8
72.99195	4.0
73.02841	1.2
77.47457	0.7
83.01274	2.9
84.02077	0.8
85.02844	9.9
87.00739	2.5
89.02341	52.6
95.01299	3.4
99.04379	0.9
101.02349	33.3
103.75860	0.8
109.26237	0.8
113.02369	21.2
113.03167	1.2
113.07069	0.8
119.02580	1.7
119.03427	30.3
130.62321	0.9
131.03400	2.5
135.04407	1.4
141.12735	0.9
143.03423	2.8
149.04437	1.7
161.02461	1.0
161.04459	1.7
169.12296	4.0
173.04543	0.8
179.05600	3.4
179.31387	0.8
187.13425	5.3
191.05574	1.3
275.30405	0.9
296.85495	0.8
331.19165	1.5
349.18747	62.6
350.19138	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	349.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01899	0.9
57.03321	2.9
58.00465	3.0
59.01265	86.9
71.01267	49.8
71.04895	1.1
71.55632	1.6
71.56007	1.0
72.99199	4.9
73.02818	2.5
82.94277	1.0
83.01268	2.2
85.02841	8.7
87.00773	3.5
89.02337	39.4
90.02691	1.5
95.01303	5.0
97.02808	1.9
99.00784	1.4
101.01703	1.5
101.02348	29.2
108.96553	1.1
113.01617	1.5
113.02354	17.6
117.31982	0.9
119.02586	1.5
119.03409	20.0
121.06454	3.9
127.07599	4.5
131.03424	1.3
132.00439	1.0
133.02837	1.4
134.03667	0.9
141.12727	1.2
161.02440	1.5
161.04483	2.7
169.12294	15.3
175.03998	1.1
176.42332	1.2
179.03308	1.1
179.05467	1.1
187.13361	7.1
191.07008	2.0
271.70163	1.0
305.21283	1.5
313.18109	1.7
331.19296	7.8
349.18704	100.0
350.19025	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	349.1877
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01773	2.0
57.03335	2.9
58.00485	3.9
59.01265	100.0
60.01603	1.0
69.03351	1.1
71.01269	77.4
71.07937	0.5
72.01603	1.2
72.99198	4.9
73.02834	7.6
75.00777	0.7
81.03294	0.2
81.06998	0.5
83.01276	5.6
84.02066	0.3
85.02844	18.5
86.03184	0.5
87.00770	3.7
87.04399	1.0
89.02337	72.2
90.02686	0.9
95.01285	6.0
96.01637	0.2
97.02857	0.8
99.00775	3.1
99.04447	0.4
101.02345	55.1
101.06001	0.7
102.02678	1.0
113.02355	32.1
114.02694	0.8
115.07558	0.2
119.03419	28.9
119.47262	0.2
120.03745	0.6
125.02398	1.2
129.01881	0.5
131.03426	2.7
139.00325	0.2
143.02354	0.4
143.03438	5.8
143.56775	0.2
149.04506	1.9
153.09171	0.2
156.23065	0.2
159.02979	2.4
159.10707	0.2
161.04503	16.6
162.04811	0.6
171.53326	0.2
173.09459	0.2
179.05573	11.3
180.05933	0.3
185.11755	0.6
187.13368	12.1
188.13728	0.8
205.03450	0.2
219.10530	1.0
349.18732	22.3
350.19067	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	349.1876
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.93553	0.4
55.01779	0.7
57.03327	0.9
58.00483	1.3
59.01265	30.6
60.86744	0.3
65.06348	0.3
71.01271	17.9
71.59486	0.5
71.59890	0.5
72.61369	0.4
72.99197	1.5
73.02843	1.5
83.01285	1.6
84.02068	0.5
85.02850	4.9
86.71646	0.4
86.84463	0.4
87.00770	2.7
89.02343	12.9
95.01283	1.9
97.02888	0.8
97.06465	0.5
99.00790	0.6
101.02350	11.2
113.02351	6.3
117.03362	0.5
119.03425	5.6
119.04919	2.1
123.08063	0.4
139.11232	0.6
141.12785	25.0
142.13171	1.3
143.03445	0.4
145.02898	2.0
147.04483	0.8
155.14302	0.6
161.02414	1.2
161.04512	0.8
163.03972	2.4
168.64113	0.4
169.12277	4.4
171.13852	1.1
176.69386	0.4
179.05571	0.6
183.13892	2.0
187.13361	50.6
188.13702	3.1
201.04027	0.9
203.12915	0.5
229.14426	1.3
331.19101	1.5
346.53085	0.5
349.18735	100.0
350.19073	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	349.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.3
57.03339	3.9
57.03579	0.7
58.00487	4.7
59.01267	100.0
60.01625	1.3
60.93992	0.8
60.94809	0.8
69.03345	1.9
71.01272	85.4
72.99201	6.5
73.02838	11.0
75.00755	4.9
78.95780	2.6
83.01292	5.4
85.02850	25.0
87.00774	11.5
87.03483	0.8
87.04386	2.6
89.02341	60.0
90.55982	0.8
95.01286	7.9
96.95915	2.7
96.96854	1.6
97.02827	1.6
98.19784	1.9
99.00783	7.4
99.04422	27.9
100.04790	0.9
101.00561	1.3
101.02350	48.2
102.02708	1.3
113.02363	38.8
114.02716	1.3
116.92671	0.8
119.01640	3.2
119.03420	30.8
125.02385	1.6
125.05876	0.8
129.01857	1.9
131.03395	3.0
137.55482	0.9
141.09116	0.9
143.03442	6.6
149.04483	2.3
159.02931	4.2
161.04498	25.2
162.04845	0.9
175.02464	0.8
179.05566	9.3
180.90092	0.9
183.08430	1.1
185.11794	0.9
187.13383	14.0
189.01173	0.8
190.06116	0.8
201.09532	1.6
219.10600	23.2
220.10786	0.9
241.20979	1.0
247.04608	0.9
249.06145	7.9
267.07257	2.5
289.11279	2.4
307.12253	4.0
349.11499	21.7
349.18713	54.1
350.11865	2.5
350.19113	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	349.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	4.0
57.03340	2.7
58.00479	3.7
59.01266	100.0
60.01602	0.7
60.67049	0.6
61.81816	0.6
69.03363	0.7
69.57444	3.7
71.01271	81.4
72.01607	0.9
72.99197	4.3
73.02831	15.3
75.00771	0.7
81.03390	0.9
83.01279	8.7
85.02845	27.0
87.00774	4.6
89.02338	50.6
90.02685	0.9
95.01280	7.1
96.95906	0.6
97.02862	0.7
98.19751	0.6
99.00779	5.8
99.04457	0.7
101.02347	56.6
102.02686	1.6
103.03915	0.7
107.01310	0.9
111.00892	0.5
111.08069	0.7
113.02355	30.8
114.02726	1.1
118.76624	0.5
119.03421	21.7
120.03809	0.7
123.77082	0.5
125.02392	1.6
129.01923	0.6
129.21587	0.5
131.03410	3.1
136.01591	0.7
141.09195	0.7
143.03442	5.3
149.04568	0.9
151.00385	2.6
151.11200	0.6
155.87453	0.5
159.02899	4.0
161.04506	23.6
162.04829	0.8
169.01314	0.6
178.99831	1.7
179.05580	7.7
185.70876	0.5
187.13362	9.6
240.20540	0.5
243.02971	0.8
271.02548	3.5
272.03021	0.8
299.02069	2.2
300.02734	2.5
301.03354	0.6
331.04630	2.1
349.18719	36.1
350.18979	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60416	0.4
55.01772	4.0
57.03340	3.1
58.00484	4.1
59.01263	100.0
59.53072	0.5
60.01608	1.1
65.00198	0.6
67.27106	0.4
68.37286	0.4
69.03339	1.7
70.04841	0.4
71.01270	92.8
72.01608	1.4
72.99200	4.9
73.02836	17.1
73.03250	1.0
75.00772	1.4
78.95795	14.5
81.03353	0.9
83.01280	8.3
83.02390	0.7
85.02841	29.0
87.00767	11.1
89.02336	68.8
90.02673	1.1
93.03378	0.6
95.01286	5.8
96.96859	12.1
97.02854	2.3
98.19749	1.0
98.97360	0.7
99.00773	7.0
101.02346	72.2
102.02705	1.0
103.03895	0.9
107.01276	0.6
111.00782	1.1
113.02357	40.9
114.02699	1.3
119.03417	28.1
120.03781	0.5
120.99564	1.8
121.06533	1.0
125.02377	2.5
129.01822	0.7
131.03407	3.8
134.03687	0.5
139.00391	0.8
143.02373	0.6
143.03439	8.5
147.04488	3.1
149.04480	1.8
151.00296	3.4
151.11279	0.9
159.02966	4.8
161.04507	32.9
162.04820	1.4
175.04012	0.6
178.99809	1.3
179.05563	11.7
184.66769	0.5
187.13362	13.8
201.04028	5.0
205.03560	1.1
207.04268	0.9
225.74628	0.5
227.03578	0.6
233.09474	5.3
234.09811	0.8
235.10072	0.6
243.03026	0.7
249.08997	1.0
263.92178	0.5
271.02478	4.3
272.03149	1.0
299.01990	2.3
300.02798	3.3
300.05740	0.5
301.03589	0.7
305.11493	0.8
327.43970	0.5
331.04602	6.8
331.18622	0.5
349.11990	0.9
349.18738	21.1
350.13242	0.6
350.19202	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93093	0.3
55.01771	4.2
57.03339	3.2
58.00483	5.2
59.01267	91.9
60.01593	1.3
61.48032	0.3
62.43733	0.3
65.00226	0.7
68.99697	0.6
69.03348	1.5
71.01273	100.0
71.04915	0.3
71.58321	0.6
72.01611	1.5
72.61710	0.3
72.99200	7.1
73.02837	17.9
75.00765	1.3
75.30760	0.3
78.95798	13.7
81.03352	0.5
83.01278	9.4
83.02377	0.6
83.04913	0.3
84.02059	0.5
85.02846	30.4
86.03192	0.8
87.00234	0.5
87.00777	12.5
89.02341	63.6
90.02690	1.3
93.03376	0.6
95.01291	6.2
96.96866	14.0
97.02840	2.3
98.97295	0.4
99.00783	6.8
101.02351	71.1
102.02688	1.8
107.01284	1.0
109.02856	1.0
111.00797	1.6
113.02362	39.6
114.02676	1.1
115.00259	0.7
115.03876	0.3
118.95810	0.3
119.03423	26.5
120.03757	0.9
120.99564	1.9
121.06503	0.8
123.00780	0.3
125.02380	1.9
126.45845	0.3
129.01852	1.0
131.03430	3.3
133.02837	0.5
134.03651	0.3
135.04462	0.5
136.01566	0.5
139.00285	0.5
141.01840	0.6
141.09128	0.6
143.03447	6.9
147.04466	4.8
149.04520	1.7
151.00323	3.8
151.11224	0.9
152.01025	0.6
153.09122	0.5
159.02951	4.6
161.04509	26.9
162.04813	1.2
169.01331	0.3
175.03926	0.4
178.99841	2.2
179.05582	10.2
180.05891	0.5
187.13370	12.8
188.13705	0.7
191.05402	0.4
199.03938	0.5
201.02179	0.6
201.04030	5.5
205.03510	1.3
205.80394	0.3
207.04193	0.8
215.07053	0.4
227.03453	0.7
233.09512	5.9
234.09741	1.0
235.09886	0.6
243.02979	0.5
249.08881	1.1
249.14835	0.4
255.03014	0.4
270.99759	0.5
271.02533	5.1
272.03015	0.8
279.05325	0.3
281.71576	0.3
299.02020	3.1
300.02756	3.7
301.03540	0.8
305.11401	0.9
331.04688	5.7
331.19101	0.7
332.04898	0.8
349.05573	0.4
349.11703	1.0
349.18726	18.1
350.13007	0.6
350.19101	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.0
58.00486	0.6
59.01265	100.0
60.01609	1.0
68.48767	0.5
69.03341	22.6
70.70818	1.7
71.01272	4.0
72.86662	0.5
72.99194	1.1
73.02839	0.9
85.02852	1.7
86.65907	0.5
87.00780	0.9
89.01860	0.8
89.02312	2.9
95.01308	0.7
96.95913	0.6
97.02859	4.7
99.00784	6.0
99.02659	0.8
101.02334	3.0
102.98526	0.6
113.02393	1.9
115.68875	0.4
119.03446	1.3
119.04961	1.4
129.49525	0.5
141.01939	0.9
143.03435	0.6
161.04541	0.8
163.04019	1.3
185.00885	9.0
185.02461	0.6
187.13330	0.8
200.46381	0.4
203.01991	1.6
219.10593	3.0
237.74939	0.4
240.29216	0.5
289.11240	0.5
349.05798	0.8
349.14865	1.4
349.18805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.2
57.03341	2.1
58.00476	2.1
59.01263	100.0
59.27366	0.3
60.01595	1.2
60.60621	0.3
69.03361	0.4
69.53749	2.9
71.01270	33.4
72.01624	0.4
72.99199	2.4
73.02833	4.1
83.01277	2.1
85.02840	8.0
87.00775	1.6
87.04417	0.6
89.02336	30.7
95.01287	2.0
97.02863	0.4
99.00764	1.6
99.04449	0.4
101.02345	22.8
102.02700	0.7
103.90213	0.3
104.24632	0.3
113.02353	14.0
119.03410	12.1
125.02385	0.7
129.01930	0.4
131.03429	1.2
143.03455	3.1
148.28348	0.4
149.04546	0.8
159.02983	1.2
161.04497	8.8
161.16707	0.3
179.05582	5.0
187.13353	5.4
251.69676	0.4
272.44110	0.4
280.94583	0.4
300.79697	0.4
349.18729	9.9
350.19312	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24546	1.2
55.01777	2.6
57.03316	3.9
58.00493	2.8
59.01265	65.8
60.64650	1.1
60.67039	1.0
66.57502	1.1
68.99690	1.7
69.03333	2.6
71.01273	58.3
71.58268	1.2
71.58679	1.9
71.62569	0.9
72.99213	7.8
73.02840	9.2
75.00768	16.5
81.03334	1.3
81.99599	1.0
83.01302	5.6
85.02841	30.1
85.06351	1.3
87.00771	14.0
89.02341	32.8
90.02675	1.1
90.25893	1.2
95.01312	7.2
96.95918	3.1
97.02843	1.9
99.00778	12.0
99.04420	100.0
100.04752	1.9
101.02351	25.9
102.02632	1.3
103.00279	2.5
111.00785	1.3
113.02358	37.1
114.02695	1.3
115.00292	1.3
117.01844	3.7
119.01620	3.2
119.03425	13.4
129.01848	2.2
131.03481	1.4
143.03394	3.3
157.01398	1.1
158.50792	1.0
159.02953	2.0
161.04512	12.1
175.02455	3.8
179.05533	3.0
187.13393	5.8
201.09480	1.4
205.03445	1.3
219.10637	17.4
231.05128	3.3
249.06175	18.0
250.06534	1.3
253.22845	1.3
267.07312	3.9
307.12146	1.8
331.10522	1.8
334.70389	1.2
349.11453	64.7
349.18463	20.8
350.11755	4.9
350.18881	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	349.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42173	0.5
54.51807	0.4
55.01764	0.9
57.03328	1.8
58.44401	0.4
59.01268	16.0
64.22221	0.3
65.03832	0.7
67.01772	1.6
68.99705	1.8
69.03346	10.6
69.48297	3.4
71.01270	4.7
72.99178	0.6
73.02844	0.6
77.03862	1.3
81.03352	2.1
83.01298	2.2
83.04907	1.4
84.02061	0.7
85.02846	13.2
86.17594	0.5
87.00774	100.0
88.01099	2.1
93.03366	1.9
95.01278	1.0
95.04927	0.7
97.02851	8.4
98.03162	0.4
98.56773	0.4
99.00787	2.4
101.02340	0.4
108.02064	0.5
109.02843	2.8
111.00798	6.3
111.04435	1.4
113.02356	2.2
115.00299	5.0
115.05406	0.5
119.04929	1.1
121.02884	1.5
127.03938	0.5
129.01872	2.7
131.04944	0.6
141.01883	3.4
147.04462	56.1
148.04759	2.8
151.00307	0.9
157.05028	0.5
159.07993	0.6
161.04836	0.4
161.06018	2.3
171.08250	0.5
178.99850	0.7
183.02936	1.3
187.07657	1.5
191.05539	0.7
201.04033	97.9
202.04353	5.4
206.00169	0.4
215.07123	4.3
271.02521	1.1
299.02066	0.5
300.02802	1.0
331.04709	0.7
349.09375	23.4
350.09787	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	349.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20257	0.9
57.03344	1.7
59.01268	28.1
61.19898	1.0
67.01791	1.4
68.99700	2.1
69.03347	9.0
70.82623	2.1
70.82979	2.4
71.01273	5.5
77.03862	1.7
78.95795	29.9
81.03339	1.7
83.01276	3.2
85.02855	10.8
85.30293	1.0
87.00777	100.0
93.03350	2.1
95.04967	1.1
96.95916	1.1
96.96869	26.6
97.02855	7.4
99.00779	2.7
101.02363	1.4
102.98475	1.8
109.02827	1.8
111.00787	8.0
111.04436	1.4
113.02384	2.9
115.00278	6.8
124.01421	1.0
125.65180	1.0
129.01846	2.7
141.01863	3.7
147.04469	47.5
148.04739	2.4
161.05991	3.1
187.07568	1.6
201.04036	78.9
202.04350	3.8
207.04271	1.6
215.07191	6.1
233.09486	13.2
234.09900	1.6
235.10085	2.0
249.09026	1.5
265.08289	1.1
307.17679	1.7
349.09134	17.7
349.18411	1.0
350.09473	1.5
350.13437	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	5.4
57.03329	1.5
58.00473	0.9
58.99484	0.6
59.01263	58.0
65.80781	0.4
67.01782	0.9
69.03341	100.0
70.03671	1.9
70.88563	1.0
71.01269	19.7
72.99210	3.1
73.02832	2.2
74.98982	0.6
79.01793	1.9
80.32079	0.5
83.01282	1.7
83.04922	0.7
85.02834	5.8
87.00774	9.2
87.04414	1.6
89.02338	15.4
95.01290	4.0
97.02850	22.1
97.06470	0.5
98.03172	0.7
99.00780	23.1
99.02644	7.0
100.01112	0.6
101.02348	12.6
102.98492	1.6
113.02348	8.2
119.03419	6.7
119.04914	6.4
123.00799	0.8
129.01903	0.7
131.03410	1.0
141.01875	5.6
143.03419	1.3
151.21489	0.4
159.02937	0.9
161.04503	4.0
163.03954	5.8
179.05597	2.8
185.00888	45.0
186.01259	2.1
187.13409	3.0
201.09570	3.2
203.01912	3.8
219.10612	27.2
220.10863	0.7
249.43268	0.5
289.11191	2.3
307.12241	4.4
349.05835	5.3
349.13440	4.4
349.18726	5.0
350.13773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10040	0.9
53.51881	1.0
54.29845	1.0
55.01768	1.7
57.03340	1.9
59.01268	32.8
67.01772	2.2
68.99698	1.4
69.03341	15.3
71.01267	12.6
71.58173	1.4
72.99173	1.1
73.02825	2.6
77.03854	2.0
78.95796	19.7
81.03333	2.4
83.01279	5.3
83.04930	1.1
85.02852	14.7
87.00776	100.0
88.01118	1.7
89.02325	2.1
93.03349	3.4
95.01302	1.4
95.04901	1.0
96.96276	1.3
96.96870	17.5
97.02866	11.7
99.00773	4.1
101.02354	4.1
109.02865	3.8
111.00790	8.1
111.04433	3.1
113.02343	3.4
115.00301	7.3
117.03409	4.2
119.04958	3.4
121.02848	1.6
123.00763	1.0
129.01848	4.0
141.01831	4.5
142.21706	1.0
145.02881	18.7
146.03168	1.2
147.04459	58.8
148.04784	2.4
157.06589	1.0
158.05391	1.1
161.04501	1.7
161.06036	2.6
163.03958	1.4
175.55670	0.9
180.62257	1.2
183.03023	1.2
187.07568	3.8
187.13367	11.1
201.04027	87.1
202.04358	3.3
207.04422	1.0
215.07155	4.4
220.83344	0.9
233.09520	8.4
234.09682	1.3
249.08955	2.2
289.07141	0.9
331.04800	1.9
331.18845	2.6
349.09293	16.8
349.18710	29.2
350.09564	1.4
350.19174	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	349.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80679	0.5
55.01777	3.1
55.05467	0.5
57.03338	2.1
58.00481	2.4
58.99488	1.1
59.01264	100.0
60.01594	0.9
64.05585	0.6
67.01783	0.6
69.03340	57.5
70.03690	1.0
71.01268	47.4
71.54803	0.7
72.99197	4.2
73.02827	3.9
74.98997	1.0
79.01782	1.1
83.01279	2.6
85.02841	12.8
87.00771	13.3
87.01277	1.0
87.04433	1.7
89.02336	41.6
92.60231	0.5
95.01281	4.5
97.02852	16.7
97.06484	0.6
99.00784	17.4
99.02628	4.3
101.02346	29.8
102.98505	2.0
113.02355	17.6
113.03152	0.6
119.03415	18.0
119.04816	3.1
123.00848	1.1
129.01903	1.5
131.03441	1.3
139.00381	0.9
141.01874	4.3
143.03447	4.5
149.04523	1.5
159.03027	1.5
161.04503	10.0
162.04883	0.8
163.04010	2.0
169.01385	0.6
173.11810	0.8
179.05576	6.6
185.00879	33.1
185.11728	0.7
186.01175	0.6
187.13359	6.6
199.10019	0.5
201.09506	4.8
203.01956	26.1
204.02391	0.7
219.10600	54.8
220.10898	2.6
289.11206	4.4
307.12289	10.0
308.12637	1.0
349.05786	2.2
349.13538	8.3
349.18887	13.6
350.14273	0.7
350.19092	1.4
351.25793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04010	0.8
59.01268	4.9
61.84877	0.8
63.02286	8.0
65.00213	12.3
66.72308	0.7
71.01272	1.1
71.59509	1.1
78.95767	0.7
81.03360	0.7
83.01279	10.3
85.02836	0.9
89.02349	0.8
93.03329	0.9
95.01265	2.5
101.02357	1.1
107.01296	24.9
109.02888	7.1
111.00787	1.3
113.79379	0.8
119.01299	3.1
121.02860	4.0
123.00806	1.7
123.04395	2.0
124.01613	2.7
125.02364	2.9
133.02870	3.1
135.00772	1.3
135.04460	1.0
136.01599	14.8
143.04948	1.9
147.00824	7.9
147.04498	0.9
148.01616	3.8
151.00316	76.8
152.00996	6.1
153.01869	2.7
155.05006	1.2
155.38300	0.8
157.02928	1.9
159.04443	1.7
161.02347	2.0
161.04475	0.9
163.00302	3.8
164.01201	1.2
165.01913	1.0
167.03461	3.6
169.01398	6.9
171.04469	3.8
173.02489	0.9
175.03952	4.1
178.99831	48.6
179.03427	3.0
180.00214	1.6
183.04454	3.6
185.02399	1.3
187.00336	1.9
187.03955	2.6
189.01906	1.0
190.99879	1.2
193.01451	1.0
195.02937	1.8
198.03232	1.2
199.03970	11.4
200.04507	1.0
201.01996	4.2
201.03613	0.8
203.03438	1.8
206.99348	2.1
207.02925	1.1
208.00044	1.2
209.00926	0.9
211.04042	2.8
212.04886	0.9
214.02588	0.8
215.03485	3.2
221.00876	1.1
221.04572	0.9
227.03513	10.4
228.03914	1.2
231.02986	2.3
239.03317	0.9
243.03024	14.9
245.04550	1.4
255.03035	8.1
256.03842	4.2
271.02545	98.3
272.03091	18.7
273.04062	5.2
287.05719	2.6
299.02060	69.5
300.02783	83.3
301.03464	23.3
302.04028	0.9
317.03113	2.1
322.25021	0.9
331.04669	100.0
332.05038	11.0
349.05685	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	347.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41142	4.1
59.01263	40.5
59.75803	3.5
69.88887	25.9
71.01266	5.6
71.04915	9.7
81.88486	4.1
85.02824	5.2
88.39057	4.2
91.56345	3.7
101.02354	9.1
113.02340	5.3
124.01588	6.2
127.07565	4.7
127.23308	4.2
141.89441	4.0
145.02878	7.3
185.11731	6.5
211.13451	45.5
216.00937	5.1
233.43138	4.1
293.21252	100.0
294.21658	13.7
301.18048	5.3
303.19531	8.3
311.22421	27.0
329.17410	8.3
347.18771	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01318	0.6
59.01269	100.0
60.01614	1.1
61.28572	0.5
61.98753	0.6
62.93094	0.6
64.46285	0.6
64.98378	0.6
71.58403	0.9
74.24288	0.5
92.99508	0.6
113.02380	0.7
155.38461	0.5
162.83731	0.5
189.49878	0.6
194.85423	0.5
205.08258	0.6
349.20044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1873
Annotation	Neocaesalpin H
Peak:m/z	Relative Intensity
57.03328	0.4
59.01262	1.9
67.01772	2.0
69.03339	0.9
71.04915	0.9
71.59117	0.6
72.90376	0.4
83.04911	0.5
85.06486	0.6
93.03360	1.2
95.04924	2.4
97.06492	4.2
107.04942	0.4
109.06508	7.7
111.04427	0.5
111.51911	0.3
121.06467	0.6
123.08078	0.7
124.01537	0.4
130.34317	0.3
133.06522	1.9
133.10149	0.6
134.07286	1.2
134.10603	0.4
135.08092	2.6
137.09570	0.5
147.08014	0.5
149.09665	26.2
150.10034	2.0
151.11227	19.2
152.11501	0.9
153.12776	2.8
161.04477	0.4
189.12827	0.9
203.14363	0.5
205.16013	0.4
243.17569	1.2
259.20718	37.9
260.21106	4.2
284.86792	0.4
285.18658	0.8
287.41095	0.4
300.05847	0.4
303.19724	34.9
304.20123	3.4
347.18704	100.0
348.19037	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	347.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.3
59.01262	3.4
62.68738	0.6
69.03348	0.8
69.63599	3.2
71.04910	62.1
72.05239	1.7
81.03361	1.0
83.04911	1.4
85.02851	2.0
97.02856	17.9
100.93730	0.6
107.04951	1.0
109.02859	4.4
121.06513	3.0
123.08086	32.6
124.08407	1.4
127.07579	30.0
128.07893	0.7
133.10176	5.1
145.10184	3.5
147.08061	0.7
149.09723	0.8
161.09673	2.0
161.13290	0.6
165.05527	1.7
165.12836	0.8
175.07642	0.7
177.09157	2.4
177.12790	1.8
179.10802	0.7
186.10562	0.8
189.09192	69.4
190.09552	5.0
191.07104	14.4
191.14377	1.2
193.15860	0.7
201.12843	1.7
205.08675	11.4
210.31146	0.6
217.15961	6.7
219.13914	11.3
220.14174	0.8
221.08154	1.8
223.09819	0.8
231.14023	3.8
238.64731	0.7
243.17567	1.4
245.11887	12.5
246.12253	0.8
259.20712	2.7
261.14984	3.3
263.12936	26.3
264.13297	2.0
275.12955	15.0
276.13339	1.2
285.18503	2.9
303.19717	19.6
304.20132	2.0
329.17654	52.2
330.17972	6.2
347.18716	100.0
348.19046	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	347.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.3
59.00990	0.8
59.01268	8.3
65.03843	0.7
69.03360	1.0
71.01260	1.0
71.04910	35.4
71.59202	0.7
72.05234	0.9
79.05417	0.5
83.04912	3.2
84.72093	0.5
85.02850	1.8
85.76112	0.5
87.51821	0.5
97.02852	11.8
97.06487	1.1
101.02374	0.9
107.04933	0.8
108.02029	0.6
109.02834	3.5
109.06531	1.1
111.04427	0.9
121.06522	5.0
123.08080	19.3
124.08407	0.9
125.02441	0.6
127.07575	14.7
133.10162	2.9
134.03619	0.6
135.04436	1.4
135.08098	1.8
137.09653	0.6
145.10135	1.9
147.08081	0.9
151.11301	0.7
161.02266	0.8
161.09607	1.7
165.05534	0.6
165.09134	0.9
175.07613	0.9
175.11081	0.8
176.97041	0.6
177.09180	1.5
177.12750	1.0
179.10741	1.9
185.11797	0.8
187.11357	0.9
189.09192	33.9
190.09601	2.7
191.05565	0.7
191.07114	6.3
191.14357	1.2
201.12863	1.5
205.08705	7.0
206.09045	0.6
209.08112	0.6
217.15971	3.9
218.16263	0.6
219.13942	6.8
221.08282	0.6
231.13913	2.7
245.11855	6.0
245.15642	0.7
259.20758	2.0
261.15100	1.6
263.12939	13.9
275.12943	7.3
276.13068	0.7
285.18619	3.0
287.16479	1.1
303.19739	15.0
304.20123	1.8
311.16562	2.0
329.17654	28.3
330.18097	3.2
347.18713	100.0
348.19064	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	347.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
57.35039	0.4
59.01264	10.2
69.03333	0.9
69.62957	0.4
71.01270	3.5
71.04906	40.0
72.05244	0.9
73.02847	0.9
78.95801	0.4
81.03347	0.6
83.01303	0.5
83.04907	1.3
84.28226	0.4
85.02842	3.1
89.02326	1.3
90.09032	0.3
93.03347	0.8
93.06959	0.5
95.01291	0.4
96.95950	0.6
97.02851	9.0
97.06494	1.0
99.00788	0.4
99.04430	0.9
101.02348	2.6
107.04925	0.8
108.02088	0.6
109.02863	3.2
109.06506	0.6
111.04429	1.1
113.02380	1.9
113.09624	0.5
119.03408	0.5
119.04921	0.5
121.06491	1.8
123.04435	0.4
123.08076	15.8
124.08403	1.0
125.02371	0.6
127.06613	0.7
127.07568	13.4
128.07867	1.0
133.02820	1.0
133.10144	2.7
135.04451	1.6
137.09633	0.5
145.10146	2.4
147.08070	0.5
161.02373	2.0
161.04491	0.9
161.09647	1.4
165.05482	0.6
165.09189	0.8
177.09148	1.5
177.12782	0.7
179.03465	1.2
179.10675	0.7
180.11365	0.3
181.46898	0.4
185.11801	3.2
189.09180	35.4
190.09491	2.7
191.05582	0.8
191.07103	6.0
191.14389	0.8
192.07428	0.4
196.69119	0.4
201.12872	1.4
203.07222	0.4
205.08691	4.7
209.08133	0.5
217.15952	3.2
219.13902	6.4
221.08334	0.5
223.09807	0.7
230.34006	0.6
231.13928	4.0
238.43912	0.4
243.17554	0.9
245.11832	6.6
246.12294	0.8
259.20691	1.3
261.15039	1.6
263.12924	12.4
264.13324	1.3
271.02591	0.7
273.14993	0.4
273.18719	0.5
275.12967	7.4
276.13367	0.9
285.18686	2.6
287.16568	0.8
303.19714	12.3
304.20004	2.2
311.16562	0.4
319.98557	0.4
329.17639	24.8
330.17966	3.0
347.18710	100.0
348.19058	11.7
348.22415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.0
71.04913	48.6
71.43087	1.8
72.05238	1.3
81.32778	0.8
83.04932	1.6
85.02842	3.0
97.02848	14.7
101.49699	0.9
109.02867	2.3
121.06495	1.2
123.08084	30.2
124.08398	1.1
124.50732	0.8
126.94787	0.8
127.07574	26.3
133.10168	5.2
142.07642	0.9
145.10155	2.8
159.08093	0.9
159.24066	0.9
161.09650	2.2
165.05608	1.6
165.09290	0.9
177.09192	3.2
177.12798	1.3
189.09186	58.8
190.09557	3.4
191.07127	9.7
192.07362	1.1
201.12848	2.5
203.07184	1.0
205.08694	11.0
217.16010	7.0
219.13879	8.6
221.08159	1.1
231.13927	3.9
232.59460	0.9
243.17604	0.9
245.11868	10.8
259.20731	2.4
261.15030	3.2
263.12921	23.3
264.13400	2.9
275.12967	13.7
276.13455	1.5
277.14041	0.8
285.18729	1.7
303.19736	18.6
304.20084	2.3
329.17657	46.9
330.17963	7.0
347.18723	100.0
348.19025	16.0
351.58939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.8
59.01259	11.4
59.03784	0.7
69.27274	7.8
71.01269	2.8
71.04906	5.0
83.04906	5.2
85.02848	2.3
85.06487	0.8
95.04929	1.7
97.02854	6.7
97.06486	16.2
100.79007	0.7
107.04946	0.9
107.08562	1.5
108.02089	6.7
109.02853	2.1
109.06488	1.2
111.04438	1.3
121.06509	2.8
123.04460	6.8
123.08070	13.3
124.08380	0.8
133.02887	0.9
133.10109	0.9
135.04456	2.3
135.08139	0.8
147.08153	1.0
148.05167	1.1
149.09628	1.8
159.08119	0.9
161.02383	1.1
161.04398	1.3
161.09641	2.7
161.13330	0.9
163.07578	1.8
165.05466	0.8
177.09096	1.0
187.11140	0.8
189.09215	1.2
189.12804	3.3
191.07129	1.2
201.12799	3.0
205.08699	1.4
217.15968	25.1
218.16290	2.8
243.17726	1.0
259.20731	3.9
261.14987	31.6
262.15320	3.0
267.17627	1.3
275.20288	1.4
281.15573	1.9
285.18649	4.1
303.19708	18.1
304.19977	2.2
311.16605	5.9
319.19174	1.0
329.13974	1.3
329.17618	12.4
330.17892	1.3
347.18695	100.0
348.19037	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	347.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.8
59.01266	3.6
69.03348	0.5
69.33562	1.1
69.33973	2.7
71.01274	0.6
71.04905	2.3
77.43231	0.4
77.67917	0.4
81.03371	0.4
82.26275	0.3
83.01280	0.6
83.04916	0.7
86.50787	0.3
93.39721	0.3
95.01285	15.9
95.04933	0.6
96.01609	0.4
96.95981	0.4
97.02835	1.1
97.06490	2.5
101.02328	0.4
107.04961	0.7
108.02084	5.1
109.02856	1.1
109.56699	0.4
117.03427	0.4
121.06503	0.9
123.04419	1.4
123.08065	3.8
127.07570	0.9
135.04422	1.7
137.09630	1.0
143.03314	0.4
145.02838	0.4
149.09586	0.9
161.02393	0.3
161.09619	0.6
163.03909	0.5
163.07620	0.6
163.11215	0.4
165.12801	2.6
175.07640	0.5
177.09135	1.3
178.09969	1.0
178.66180	0.4
179.03340	0.6
179.10669	0.5
189.09235	1.2
203.14313	0.5
205.08652	0.5
217.16032	1.7
219.14142	0.4
219.17636	0.7
225.12083	0.4
231.17545	0.5
243.17581	1.1
245.11848	0.4
259.20746	4.8
260.14178	0.5
261.15079	2.6
263.12970	0.4
275.12991	0.5
275.20251	1.0
277.21567	0.4
285.18658	0.5
303.19720	6.4
304.20041	0.7
305.17715	0.6
329.14105	0.7
329.17505	1.9
342.01834	0.4
347.18701	100.0
348.19061	13.1
362.05969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26601	0.2
57.03333	1.2
59.01270	2.3
59.98388	0.4
60.18817	0.3
69.03335	0.3
71.01250	0.8
71.04913	1.2
71.37268	0.6
73.02874	0.4
75.65882	0.2
80.82986	0.3
83.04919	1.0
83.31081	0.3
83.86957	0.3
85.02847	3.3
85.06488	0.4
89.02354	0.3
94.97189	0.2
95.01275	0.9
95.04928	1.3
97.02878	0.8
97.06490	3.3
99.04401	0.4
99.69526	0.3
101.02351	0.5
105.64138	0.3
107.04916	0.5
108.02071	0.7
109.02852	0.5
121.06513	0.8
123.04395	0.3
123.08090	1.7
124.01570	0.3
127.07578	0.3
134.07326	2.3
135.04398	0.5
135.08081	0.8
137.09698	0.3
145.10156	0.6
147.08066	0.3
149.09637	0.8
151.11223	0.3
152.72285	0.3
153.09164	2.4
159.11642	0.3
163.11218	0.4
165.02895	0.3
165.12888	0.3
177.09148	0.3
177.12785	0.4
181.10168	0.6
183.11751	0.4
189.09143	0.6
193.12297	0.4
193.15892	0.4
201.12837	3.9
202.13512	0.4
203.07335	0.3
215.14406	1.0
217.15974	28.9
218.16277	2.5
219.13985	0.3
231.14119	0.3
237.15013	0.8
241.19611	0.4
243.13922	0.3
243.17642	1.1
257.19220	0.5
259.20731	4.6
261.15060	0.7
285.18671	1.2
303.19724	33.9
304.20023	4.2
329.17630	3.6
330.17905	0.3
330.80215	0.3
347.18716	100.0
348.19080	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	347.1718
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.50954	0.4
53.79028	0.4
55.01768	5.1
57.03336	6.7
58.00482	4.1
59.01264	65.9
68.99715	0.5
69.03342	2.0
70.98716	0.6
70.99059	0.8
71.01267	100.0
71.04914	1.3
72.01616	1.7
72.99191	4.0
73.02834	26.5
74.99009	0.4
75.00784	1.6
81.03340	0.5
82.17933	0.4
83.01271	11.6
83.44673	0.5
84.02066	0.8
85.02840	39.9
87.00772	10.3
88.88283	0.4
89.02336	38.1
90.02653	0.6
93.03359	0.7
95.01289	7.0
97.02856	2.0
97.06484	3.2
99.00780	12.4
99.04417	1.3
101.02345	74.7
102.02693	1.7
102.98499	1.0
109.02869	1.5
111.00793	0.6
113.02355	40.2
113.05987	0.6
115.00272	0.6
115.07578	0.8
118.98052	0.7
119.03419	14.5
125.02367	2.3
129.01871	1.8
131.03426	1.6
132.16525	0.4
133.02914	0.6
135.04437	4.8
139.00250	0.6
139.11195	0.5
141.09183	0.5
143.03433	5.1
149.04477	1.4
153.01993	0.5
159.02934	10.2
161.02545	4.1
161.04497	44.3
162.02727	0.7
162.04851	1.1
173.04579	0.5
177.87302	0.5
179.03464	3.3
179.05557	4.7
183.10271	1.4
184.10568	0.9
185.11812	14.3
186.12152	0.6
187.04008	0.5
191.05618	4.0
192.05882	0.7
205.03529	2.7
217.08980	0.6
257.14008	1.1
329.14017	0.6
334.27570	0.4
347.17163	57.7
348.17450	6.3
353.08804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.6
57.03342	4.0
58.00487	0.7
59.01268	18.7
69.03356	3.0
71.01271	66.0
71.04907	6.7
71.54461	0.9
72.01608	1.1
72.99192	3.4
73.02838	17.2
75.00762	1.5
78.95784	1.2
81.03363	0.8
83.01276	6.4
83.04900	0.7
85.02843	28.4
85.06480	7.8
86.03205	0.8
87.00761	3.3
87.04430	1.6
87.08058	0.9
89.02340	9.4
95.01284	5.2
95.04920	2.2
96.96858	1.2
97.02840	1.9
97.06493	22.1
99.00777	8.0
99.04427	1.3
101.02348	34.5
102.98503	1.2
104.89615	0.7
113.02361	25.8
113.05994	1.8
114.02729	0.7
115.07565	100.0
116.07911	3.8
119.03429	3.0
120.99521	0.6
125.02344	1.4
129.01865	0.8
134.09402	0.5
137.09660	0.8
139.00267	0.8
143.03392	3.0
159.02951	6.6
161.02490	1.3
161.04507	31.0
162.04865	0.8
167.10733	6.3
179.05478	0.8
185.11806	27.6
186.12170	1.8
191.05632	0.9
203.12799	0.6
205.03519	2.1
220.94603	0.6
233.10327	2.5
244.67429	0.7
259.11960	0.9
342.05896	0.6
347.12924	1.0
347.17194	7.9
348.17236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79599	0.8
59.01264	8.1
66.05944	0.8
66.82490	0.7
71.01285	4.6
71.01611	0.8
71.59412	0.6
71.59797	0.8
74.11873	0.7
78.95795	100.0
82.79324	0.7
83.02395	1.1
83.68771	0.7
85.02866	1.8
87.00803	0.8
89.02341	1.8
96.96864	87.0
101.02351	3.0
111.78896	0.7
112.07561	0.8
113.02351	2.2
135.04414	1.2
167.10811	0.9
173.04570	0.9
191.05586	1.9
207.04266	5.0
217.12602	0.9
233.09497	95.4
234.09843	6.3
249.08836	1.0
262.08554	3.2
320.12668	1.2
347.13782	20.7
347.17368	10.5
348.13889	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	347.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	3.1
57.03341	7.3
58.00492	2.3
59.01265	64.7
69.03339	3.2
71.01271	100.0
71.04905	8.0
71.56805	0.8
72.01617	1.7
72.99199	5.4
73.02835	18.6
75.00772	1.1
79.05413	1.1
81.03378	1.7
83.01275	7.1
85.02844	32.2
85.06472	5.9
86.03193	0.9
87.00760	4.1
87.04404	1.0
87.08045	1.2
89.02338	47.7
93.03336	0.7
95.01281	6.9
95.04935	2.3
96.95912	1.8
97.02850	1.7
97.06491	52.7
98.06847	0.9
99.00782	8.6
99.04432	2.0
101.02347	54.2
102.98497	0.9
109.06557	0.7
113.02361	38.0
113.05984	1.2
114.02672	1.0
115.07565	89.6
116.07888	3.2
119.03423	22.0
121.06429	0.7
123.08083	0.7
125.02378	2.4
125.09643	0.6
129.01857	1.1
131.03423	1.6
134.79778	0.6
141.05473	1.0
143.03421	5.1
143.10625	0.8
149.04520	1.2
149.09605	0.8
159.02950	6.3
161.04509	37.2
162.04831	1.4
167.10739	13.6
168.11073	0.9
174.22272	0.7
179.05527	4.7
185.11801	35.9
186.12193	1.6
191.05632	1.7
205.03542	1.8
211.27534	0.6
233.10335	1.0
247.11914	5.2
259.12054	0.7
329.13907	0.8
347.17200	13.2
347.21109	1.3
348.17725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48375	2.8
56.42901	4.6
59.01266	100.0
69.89298	16.2
71.01276	9.1
71.74774	2.9
73.84180	2.9
85.02850	4.8
96.96864	3.4
97.31043	2.9
98.18092	3.2
101.02361	8.1
110.12508	3.3
113.02337	4.5
125.02399	5.4
139.16020	3.0
139.28334	3.7
161.04491	11.5
167.53690	3.7
215.38858	3.6
354.09589	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	347.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72937	0.5
59.01206	2.6
59.01478	1.0
60.43506	0.6
63.02239	2.1
65.00208	2.9
69.28811	0.5
69.74337	3.4
71.04872	1.5
73.16705	0.6
76.60051	0.6
83.01240	2.0
83.04870	0.6
87.04521	0.5
93.03283	2.1
93.54433	0.6
96.98592	0.5
97.02849	2.6
97.06480	0.8
98.20474	0.8
101.02276	0.6
107.01299	6.7
108.02064	1.0
109.02847	1.1
117.03304	1.6
123.00757	0.7
123.04421	1.3
123.08021	1.7
124.01534	0.6
127.07533	0.8
134.03653	0.6
141.03322	0.6
145.02846	0.8
151.00308	21.5
151.01514	1.4
152.01076	6.6
159.04391	2.1
163.00305	1.1
164.01022	0.8
165.01860	0.6
165.05426	0.6
167.03351	2.2
168.03711	0.7
169.01291	1.3
171.04387	1.1
177.01721	0.7
178.99837	7.7
182.03641	0.8
183.03186	0.5
183.04468	5.4
189.09137	1.8
195.02968	1.6
202.96036	0.5
205.08910	0.6
211.03952	2.5
212.04416	0.8
213.05600	1.3
217.15892	1.8
227.01392	0.7
227.03522	13.1
228.03915	1.1
229.04985	1.2
239.03481	2.1
240.04269	2.2
241.05035	1.1
243.06680	0.7
255.03033	55.7
256.03622	11.0
257.04486	2.4
259.20831	0.6
261.14935	2.4
263.13120	0.7
283.02557	32.0
284.03311	46.8
285.04016	12.9
286.04504	1.3
303.19644	4.0
315.05185	100.0
316.05527	9.5
329.17599	4.1
347.07816	24.3
347.18738	18.4
348.08121	2.4
348.18976	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	345.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67043	0.5
55.49343	0.5
59.01266	33.5
65.42441	0.5
70.49077	0.5
71.01250	0.9
71.59608	1.0
78.93050	0.6
89.02329	1.2
97.06479	1.1
99.08050	5.6
101.02363	0.9
109.06491	0.8
111.08028	0.7
113.09613	1.2
125.09631	0.6
127.07539	0.5
127.11225	1.4
129.09145	12.0
133.02881	1.0
139.11189	1.4
143.10706	5.8
155.10704	2.2
161.02361	1.4
192.51508	0.6
201.09193	0.9
209.19080	1.0
227.20099	1.6
235.17058	0.8
237.18683	4.0
239.20203	2.5
245.21063	0.6
255.19725	2.3
257.21271	8.6
258.21664	0.8
269.99771	0.6
285.20813	19.9
286.21228	1.9
303.21844	100.0
304.22174	9.4
345.16879	1.4
345.22916	37.9
346.23199	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	345.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83475	0.7
57.03343	2.0
59.01265	87.3
63.83252	0.7
69.03345	3.1
69.19183	0.8
69.32330	5.3
69.32755	2.7
71.01278	2.7
73.02834	1.2
74.40520	0.7
81.03339	0.8
83.04909	2.2
85.02858	6.2
87.00768	1.2
93.03374	2.4
95.04933	2.6
97.02866	3.5
97.06499	2.4
98.20534	1.2
99.08049	2.4
101.02351	1.1
101.06018	1.3
105.03336	1.2
107.04941	2.1
109.02849	1.9
109.06483	2.5
117.03362	1.8
121.02906	1.9
121.06545	1.7
122.03663	1.0
123.08099	3.2
125.09638	0.9
132.02106	2.4
133.02892	38.1
134.03728	4.7
135.04453	49.5
136.04799	2.6
137.02342	1.6
137.09648	3.8
139.11208	0.8
145.02959	1.6
149.02426	0.9
149.09644	2.6
155.03275	0.8
159.08142	1.2
159.32840	0.8
161.02390	80.2
162.02756	5.5
165.09201	1.7
165.12814	7.4
167.10767	6.3
173.04576	0.9
175.04019	1.2
176.03918	0.8
177.01909	1.2
177.09175	6.3
179.03465	19.3
179.04955	1.6
183.13901	1.4
185.11807	0.8
191.05571	2.1
243.02946	1.0
301.18155	14.6
302.18494	1.2
313.03729	1.4
327.16083	1.1
327.21805	6.1
328.22067	1.3
345.06445	2.0
345.10928	53.6
345.17163	17.8
345.22894	100.0
345.61087	18.1
346.11505	4.5
346.17593	2.5
346.23279	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	345.2078
Annotation	(-)-Calycanthine
Peak:m/z	Relative Intensity
53.59930	0.3
56.62767	0.3
59.01261	2.4
64.85751	0.3
67.15512	0.3
69.28022	3.3
72.42034	0.3
72.42429	0.3
79.23724	0.3
91.74272	0.3
98.19825	0.7
113.02318	0.3
113.74759	0.3
147.08109	1.2
163.03952	0.6
189.05569	0.6
191.07111	51.7
192.07436	3.1
205.08687	36.0
206.09181	2.5
207.10115	0.4
221.08206	3.4
303.21735	0.6
313.18073	0.7
345.20728	100.0
346.21063	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	345.229
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03341	1.9
58.99487	0.7
59.01267	3.2
69.03329	0.4
69.25459	0.3
71.01272	1.5
71.04901	1.0
71.58007	0.4
72.99229	0.3
73.01057	1.1
73.02830	1.0
78.95798	1.2
81.03377	0.4
83.04931	0.7
85.02828	1.0
85.06485	3.1
89.02340	0.9
93.03345	0.8
96.96860	1.4
97.06515	1.3
101.02352	0.7
102.98497	4.1
108.02073	0.5
109.02899	0.4
109.06490	0.4
113.02361	0.4
115.07564	4.6
125.06034	0.4
125.09650	1.2
127.11229	2.1
133.02882	1.0
135.04480	0.6
137.56892	0.3
151.00284	0.7
155.10719	0.4
155.14330	1.0
161.02393	1.5
165.09117	0.4
165.12772	0.6
167.14392	1.5
171.08395	1.1
171.10201	2.2
179.03499	0.5
183.13860	4.2
191.05568	2.3
193.12352	1.3
199.09763	0.5
199.13390	0.4
209.11806	1.6
211.13391	24.3
212.13702	1.7
229.01509	0.5
229.14473	21.7
230.14818	1.5
233.09473	0.8
271.02484	0.5
271.06476	0.4
281.08289	0.4
285.04001	0.6
301.10641	0.4
327.21875	0.8
345.06219	1.1
345.22885	100.0
346.23209	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	345.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82144	25.9
59.01252	100.0
71.58401	28.2
71.58798	45.4
123.04494	46.6
124.01502	32.6
133.02814	41.1
135.04362	45.0
161.02307	40.7
178.58064	29.1
183.15135	30.5
192.85931	30.9
206.12831	27.2
209.64711	27.5
211.59186	29.9
225.03072	29.1
262.00314	31.8
290.97119	34.2
291.19620	41.7
345.16806	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	33.1
61.98695	6.6
70.85628	19.6
80.56558	5.3
83.04932	6.2
84.09336	5.5
118.17695	5.8
133.02866	6.2
139.09204	5.6
140.10654	6.0
171.10251	30.7
248.96132	8.7
259.41006	5.3
273.18970	6.7
290.97311	5.8
291.19745	81.8
301.18204	13.0
309.20789	100.0
310.21136	10.5
345.17270	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15756	1.8
56.29662	1.6
57.03361	2.0
59.01272	30.6
68.12058	1.9
69.03333	5.6
69.36984	13.0
69.37406	6.3
71.01266	2.7
72.78011	1.9
78.95807	3.8
80.76823	2.1
85.02843	19.1
87.04398	12.8
93.07014	10.3
97.02859	95.9
97.85186	2.2
107.04904	2.7
109.02854	5.7
118.32538	2.3
121.06527	33.8
135.08044	2.0
147.08101	4.8
149.09680	19.8
161.09642	7.0
163.14851	6.3
171.10249	7.1
175.11317	2.7
185.11830	13.6
185.13326	3.4
189.12848	18.9
191.14357	3.7
197.09613	3.5
197.13354	5.4
201.09331	2.7
201.11244	3.7
205.08618	2.4
207.13875	33.2
209.11795	4.4
210.12292	2.6
213.12842	36.8
214.13139	2.7
215.13007	2.7
215.14484	22.9
235.13390	14.8
239.18044	5.5
241.12366	5.6
242.12834	2.5
245.13916	4.5
255.17352	2.6
257.19138	3.8
259.13519	5.5
273.18689	10.6
283.17175	6.3
285.15146	3.6
299.16727	5.8
301.18134	39.5
302.18643	4.8
317.17630	15.8
327.16150	18.2
327.21771	4.6
328.16132	2.2
345.17090	100.0
345.22827	33.0
346.17371	12.3
346.22742	2.7
368.29828	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	345.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96205	0.3
55.01763	0.4
57.03327	0.6
59.01252	0.5
65.03842	0.3
69.03341	3.7
69.28902	0.5
69.29305	2.4
73.02839	0.4
81.03351	0.8
83.04903	0.9
92.98087	0.2
93.03372	0.3
97.02849	1.0
98.20530	0.5
107.04931	0.8
109.02867	5.3
109.06503	5.8
110.03663	0.6
110.06861	0.4
111.04427	1.5
119.08598	0.4
122.03679	0.4
123.04438	0.4
123.08115	0.3
137.05997	0.3
138.03169	0.6
147.08115	0.4
159.08034	0.4
161.09541	0.3
163.11227	0.3
173.09688	0.4
175.07549	0.7
187.07597	0.6
189.09181	1.3
189.12907	0.3
191.10800	0.4
191.14499	0.4
205.08632	0.3
209.11888	0.3
217.15982	0.4
241.01421	0.6
241.15843	0.3
245.15483	0.8
255.17627	1.2
257.15485	0.4
271.17056	0.7
273.18677	8.6
274.18942	1.0
283.17084	3.5
285.00388	1.7
285.15033	0.7
299.16376	1.4
301.18155	31.5
302.18527	3.1
317.17615	0.5
327.16364	0.3
345.02643	1.1
345.17130	100.0
346.17468	11.2
346.20682	0.5
358.86670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1564
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
54.65819	0.6
55.01764	1.4
57.03334	1.7
58.00484	2.3
58.26211	0.7
59.01266	53.3
69.03320	1.0
69.62030	6.0
71.01274	28.1
71.01667	1.6
72.99183	3.8
73.02856	1.7
78.95785	1.1
83.01268	1.6
83.04901	0.9
85.02843	6.4
87.00783	1.9
89.02344	23.4
93.03367	1.7
95.01280	2.7
96.07331	0.8
101.02354	18.1
113.02357	8.0
113.03089	1.0
117.99333	0.8
119.03426	12.9
119.04857	0.8
119.08581	0.9
121.10154	38.4
122.10449	1.6
137.09653	7.2
143.03493	1.0
149.04504	0.8
165.09167	56.5
166.09496	3.3
173.04518	1.4
179.05536	1.3
182.42914	0.8
183.10240	36.3
184.10609	2.2
184.12891	0.7
191.05586	3.5
239.75789	0.7
261.08447	0.8
345.15619	100.0
346.15948	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	345.1562
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
54.39560	0.8
57.03341	2.2
58.00484	4.1
59.01263	100.0
59.53044	0.7
69.03348	0.9
69.25599	0.8
69.25944	9.2
70.10576	0.8
71.01270	67.1
72.99200	5.2
73.02833	2.7
83.01263	2.3
83.04900	1.0
85.02840	15.4
87.00775	4.6
89.02337	79.1
90.02695	1.5
93.03359	4.5
95.01292	3.9
96.95892	7.6
101.02344	37.6
106.06496	1.4
109.02881	1.1
109.06472	0.9
113.02356	27.4
114.02721	1.0
119.03415	32.7
121.06538	1.2
121.10148	41.6
122.10501	2.2
125.02385	1.1
131.03403	3.9
132.04475	7.9
133.02943	0.9
133.05273	3.6
134.03619	1.0
135.04466	1.8
137.02327	1.1
143.03444	6.5
149.04553	1.9
160.01711	0.8
161.02426	1.9
161.04544	4.0
165.04263	6.9
165.09251	1.0
173.04485	2.6
179.03413	1.0
179.03955	0.9
179.05563	9.2
183.10257	2.2
186.09253	1.1
191.05574	23.5
205.08813	0.9
209.03258	0.9
214.12370	1.7
241.09798	1.2
257.13058	6.1
263.05188	0.9
265.14496	2.5
283.10843	1.4
301.11935	5.1
301.18054	1.0
327.16162	3.0
345.10724	22.7
345.15704	33.3
346.10928	2.2
346.16022	4.1
349.04691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1564
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01762	2.1
55.74955	0.7
57.03338	1.5
58.00465	3.4
59.01266	69.9
60.01592	1.5
61.01696	0.8
62.98698	0.8
64.85112	0.7
65.14923	0.7
67.01760	0.8
69.03336	1.6
70.11613	3.8
71.01273	40.5
72.53448	0.7
72.99188	3.3
73.02829	2.6
75.00761	1.0
83.01269	3.0
85.02840	12.3
87.00757	2.4
89.02337	34.7
93.03354	4.3
95.01273	4.2
98.19846	1.0
99.00792	1.6
101.01721	1.6
101.02353	26.0
105.03448	0.9
109.02834	2.3
109.06458	1.3
113.02355	15.5
118.97988	0.7
119.03420	16.3
121.06475	1.8
121.10159	4.5
128.58853	0.8
131.03369	1.3
132.04399	1.1
135.04390	1.2
149.04465	1.0
155.03410	1.0
160.01585	1.0
161.04512	1.1
163.03975	0.8
165.09177	8.5
173.04486	6.6
179.05553	1.5
183.10127	1.0
191.05618	10.4
191.14354	1.6
205.08678	1.2
301.18066	2.2
327.16028	3.5
345.15576	100.0
346.15979	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	345.1565
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
50.16645	0.6
57.03321	0.8
58.00472	2.4
59.01268	54.2
63.42637	0.7
66.33721	0.6
67.01772	0.7
67.37048	0.7
69.03322	0.7
71.01273	34.7
72.99189	2.2
73.02829	1.7
75.00745	0.8
83.01283	1.8
85.02844	8.7
87.00776	3.5
89.02341	33.2
90.02612	0.6
93.03354	3.4
95.01310	3.3
97.02832	0.8
99.04418	1.0
101.02349	23.7
109.02850	1.1
111.04414	0.9
113.02359	13.2
119.03424	16.0
120.99567	1.1
127.03950	1.0
131.03401	1.0
135.04469	0.8
143.03400	1.1
149.04517	1.1
161.04472	1.1
165.09166	61.3
166.09515	3.1
173.04494	1.8
179.05559	3.4
183.10178	1.9
191.05594	13.9
242.10637	0.8
257.12933	3.7
259.07013	0.7
293.04504	0.8
309.07675	1.4
345.15619	100.0
346.15979	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	345.1563
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01765	1.8
57.03335	2.7
58.00482	2.7
59.01265	57.4
60.01594	1.4
60.19488	0.9
67.01776	1.1
69.03350	1.2
69.52189	6.2
71.01270	53.8
72.62820	0.9
72.99207	2.5
73.02835	8.7
74.13949	0.8
81.03363	1.3
83.01278	5.1
83.04913	1.0
83.40602	0.8
85.02846	22.3
87.00743	4.0
89.02340	31.4
93.03357	9.7
95.01284	3.7
95.03664	1.3
96.95899	1.9
97.02877	2.9
98.19805	1.8
99.00768	4.2
101.02348	33.2
104.04948	1.2
106.06534	2.6
111.04414	1.8
113.02359	22.4
114.02737	1.0
118.98011	0.9
119.03405	13.7
121.02863	1.8
121.06503	1.6
121.10157	15.3
122.06039	1.0
122.10484	0.8
123.60364	0.9
124.07590	1.7
124.96104	0.8
125.02393	1.3
128.03474	0.8
131.03435	1.1
132.04474	20.2
133.05284	7.3
134.06004	2.7
135.04462	1.9
139.11221	1.6
143.03439	2.7
148.03961	1.2
149.04616	0.9
159.02953	2.7
161.02368	1.6
161.04495	12.4
165.04279	11.7
165.09135	4.9
167.10774	1.2
173.04477	4.3
177.04301	1.3
178.05040	1.6
183.10226	15.3
184.10580	0.9
186.09219	2.4
191.05580	58.1
209.03261	3.4
212.22893	0.9
213.06711	1.8
214.12387	2.9
215.11926	2.9
229.09866	1.1
239.10690	1.0
241.09898	1.5
250.06465	1.0
257.12982	10.3
258.13306	1.1
259.07327	1.6
274.14182	0.9
283.10846	3.7
301.12024	8.0
327.15567	1.3
345.10983	52.8
345.15622	100.0
346.11209	5.6
346.15930	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65808	0.4
57.03340	0.6
58.00473	0.6
59.01268	17.2
61.79339	0.4
63.52510	0.4
67.01787	3.2
69.03340	0.6
70.97863	1.0
70.98239	1.1
71.01270	7.8
71.31334	0.5
73.02844	0.8
81.03348	0.6
83.01285	0.6
83.04940	0.9
84.04443	1.1
85.02854	5.8
86.02385	0.5
87.00803	2.3
89.02337	5.9
93.03360	14.7
94.02833	0.6
94.06516	0.5
95.03662	4.2
95.04913	0.5
96.04457	0.9
96.08081	1.7
96.95965	0.5
101.02327	4.5
104.04986	1.6
106.06532	6.9
107.04951	0.8
109.02887	0.8
111.04427	4.2
112.03953	1.1
113.02373	2.6
119.03408	2.9
120.04487	1.0
121.10144	3.5
122.06013	3.9
123.03210	1.3
124.07610	9.4
124.15353	0.5
127.03939	1.6
132.04482	51.9
133.05278	30.0
134.06094	8.9
135.04414	0.8
136.01610	0.6
136.03986	0.5
137.02399	2.0
138.05650	1.1
141.89626	0.5
143.03465	0.5
146.02362	0.6
148.03973	2.6
150.05568	3.1
155.03458	2.1
165.04277	37.4
166.04604	1.3
172.11232	0.5
173.04526	32.4
176.03604	1.6
176.07118	1.0
177.04295	5.0
178.05061	3.0
179.03477	0.6
179.05557	0.6
183.10301	0.5
184.07715	1.0
185.08429	1.2
186.09229	5.4
187.08757	0.7
191.05600	52.6
195.08194	0.8
197.09724	2.0
198.09236	1.3
209.03310	9.5
212.10812	0.7
213.06703	3.8
214.07167	0.5
214.12411	8.9
215.11885	11.1
216.12239	1.1
226.07510	1.3
227.08369	0.9
228.08899	0.6
229.09813	5.5
237.07703	1.5
239.10803	0.7
240.10347	1.8
241.09924	4.4
255.11456	1.3
257.13004	37.7
258.13342	2.7
259.07236	3.7
272.07843	0.6
283.10953	12.5
284.11292	0.6
301.12012	30.9
302.12384	2.5
327.09937	2.0
345.11008	100.0
346.11304	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	345.1103
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01273	8.4
67.01789	0.9
68.57977	0.4
69.71568	3.7
71.01278	3.3
72.99170	0.6
73.02838	0.6
83.04919	0.6
84.04492	0.6
85.02843	4.1
87.00784	1.9
89.02341	1.8
93.03365	8.4
94.02915	0.5
95.03683	1.7
96.04453	0.7
96.08096	0.9
101.02369	2.0
104.04956	1.1
106.06548	4.9
109.02880	0.5
111.04439	1.6
112.03913	0.6
113.02346	1.1
119.03425	0.9
121.02898	0.7
121.10173	1.2
122.06062	2.4
124.07622	6.6
127.03915	0.7
132.04488	38.1
132.21571	0.4
133.05284	21.8
133.06291	1.0
133.97614	0.4
134.06117	5.0
138.05598	0.8
145.05193	0.6
148.03984	2.0
150.05557	1.5
155.03391	0.6
165.04279	24.7
166.04617	0.8
173.04501	4.8
176.03546	1.5
176.07141	0.9
177.04306	4.2
178.05072	1.4
183.10207	2.6
184.07692	0.8
185.08446	0.7
186.09195	3.5
187.05125	0.5
191.05598	41.6
197.09724	1.1
198.09248	1.6
207.06602	0.6
209.03293	6.3
212.10994	0.5
213.06700	3.8
214.12383	6.8
215.11873	7.8
216.12260	0.5
226.07510	1.5
227.08319	0.6
229.09821	4.0
237.07741	1.1
239.10663	0.8
240.10344	1.4
241.10002	3.0
255.11497	1.4
257.13013	22.4
258.13367	1.7
259.07242	9.2
283.10968	8.5
284.11212	0.9
301.12030	15.8
302.12396	1.1
327.09793	1.2
345.11066	100.0
345.15640	13.5
346.11411	9.6
346.15720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34623	0.4
59.01265	3.8
64.95065	0.5
77.88241	0.5
82.22311	0.5
90.68019	0.4
93.00052	0.7
99.08093	0.5
104.21551	0.5
121.02857	0.7
121.10152	9.1
125.09619	1.2
127.11203	2.0
137.09654	2.3
139.11183	1.8
153.09140	0.8
165.09134	0.8
171.10225	60.2
172.10567	3.4
201.02475	0.8
229.14621	0.5
246.05368	0.7
255.16022	0.6
293.21286	2.0
297.97690	0.5
302.78094	0.5
305.17386	0.9
313.00058	0.7
328.02310	1.0
342.45782	0.5
343.24954	100.0
344.14996	3.1
344.25317	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2499
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
58.23689	0.3
59.01266	4.1
69.03345	1.2
71.01282	0.8
71.62170	0.6
74.03413	0.4
83.04920	2.0
89.02319	0.6
95.04912	0.4
97.06520	1.2
99.08064	7.3
113.37090	0.3
114.82628	0.3
121.02882	0.8
121.10155	2.4
125.09650	1.4
127.11230	0.6
128.17276	0.4
134.04674	0.4
137.09593	1.8
139.11249	1.1
149.09622	0.4
165.12840	0.9
167.10713	0.4
171.10231	19.0
172.10574	0.9
175.11243	1.0
193.12318	13.4
194.12675	0.7
194.79984	0.4
197.15401	0.8
206.13902	0.4
211.13374	2.8
225.14977	18.9
226.15375	1.1
243.16077	6.1
244.16420	0.5
269.98093	0.4
293.21399	1.6
297.97763	0.5
299.20358	1.1
311.22226	0.6
313.00037	1.0
313.03714	0.5
325.24234	0.5
328.02472	0.6
343.25034	100.0
344.15128	2.0
344.25418	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2498
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.17953	0.4
52.77356	0.4
59.01047	0.4
59.01276	4.3
69.03343	0.9
71.01282	0.7
74.07091	0.4
80.81226	0.5
83.04910	1.2
89.02352	0.6
97.06509	0.8
98.20573	1.0
99.08060	3.5
109.06516	0.5
115.32879	0.4
121.02841	1.4
121.10156	5.4
123.00848	0.5
125.09628	1.4
127.07525	0.4
127.11212	1.0
135.01611	0.4
137.09631	1.8
139.11241	1.2
140.08495	0.4
165.09140	0.6
171.10225	36.3
172.10548	1.3
178.51724	0.5
185.11807	0.6
193.12309	8.5
195.13806	0.4
211.13400	1.8
221.75058	0.5
225.15010	10.3
226.15213	0.4
243.16077	3.6
246.05193	0.6
269.98105	0.6
289.18182	4.3
290.18463	0.7
293.21213	2.7
297.97598	1.2
312.99911	1.0
328.02298	1.1
343.24963	100.0
344.15167	2.3
344.25330	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	343.2135
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03336	3.4
59.01264	4.3
69.03332	2.1
69.47370	0.9
69.47778	2.7
71.01267	1.0
71.04921	2.3
80.02560	0.6
81.03335	1.0
83.04910	3.8
84.02057	3.0
85.02844	3.5
85.06480	1.9
87.04411	4.2
91.28769	0.4
93.03359	0.6
95.04918	5.7
97.02864	0.5
97.06479	2.6
99.04434	0.9
106.04147	0.7
109.06497	0.7
111.04453	0.7
113.05981	2.0
115.07565	0.4
121.02866	0.7
121.06542	0.7
123.08075	4.7
125.09677	2.5
127.11218	2.1
135.08028	0.9
153.09174	1.1
155.10663	0.5
155.14388	1.0
163.11244	1.6
165.12819	0.9
167.14404	1.5
171.10223	16.0
172.10573	0.5
175.11255	0.7
177.12805	0.8
181.12361	0.9
183.13873	3.4
185.11803	1.4
193.12321	1.5
193.15878	1.1
197.11830	0.5
201.09244	0.4
201.11267	0.7
209.11850	5.1
210.12247	0.5
211.13390	16.1
212.13713	1.4
219.13887	0.6
221.11852	2.1
223.13475	0.8
229.14459	17.9
230.14851	1.5
235.13490	0.7
237.14992	21.0
238.15308	1.9
239.12915	1.3
249.15053	2.2
255.16138	0.8
267.15976	0.8
269.98062	0.5
289.18225	2.3
297.97626	0.8
307.19391	1.4
312.99948	0.7
325.20334	17.7
326.20743	2.2
328.02335	0.6
343.21365	100.0
344.15164	1.6
344.21683	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2134
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
51.85530	0.3
57.03326	0.9
58.00469	0.7
59.01263	8.0
69.42601	2.9
71.01261	0.3
71.04895	0.4
73.02808	0.5
83.04934	0.6
85.02837	1.0
91.40301	0.4
95.04922	0.4
96.04557	0.3
97.06517	0.6
109.06506	0.5
111.08055	0.3
123.08079	1.7
125.09645	3.2
125.67548	0.3
127.11198	4.0
135.04489	0.4
135.08072	1.3
137.09663	1.5
139.11220	1.0
141.09146	13.0
142.09462	0.4
152.65617	0.4
153.09184	2.0
155.10738	2.4
155.11783	0.4
157.12260	0.4
161.02412	0.3
165.09152	1.5
169.12250	0.3
171.10220	5.9
183.10254	1.2
187.09702	0.5
199.09744	0.6
201.11304	18.8
202.11668	1.1
208.08900	0.3
209.11784	0.3
237.18330	0.3
245.19115	2.2
263.20209	5.5
264.20490	0.7
271.16998	0.8
276.06427	0.3
278.07483	0.3
281.21317	1.4
283.19177	3.3
289.18173	3.2
290.18350	0.5
299.22388	0.6
301.20309	4.4
307.19177	3.7
308.19479	0.7
312.99939	0.7
325.16629	0.6
325.20276	9.3
326.20587	1.2
328.02380	0.6
334.82590	0.4
343.21317	100.0
344.15060	1.4
344.21628	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	343.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	1.0
59.01204	22.5
59.01534	1.9
59.10374	0.3
69.03342	3.5
71.01234	0.4
71.57626	0.7
71.95383	0.4
72.99188	2.8
73.02776	0.4
81.03313	0.5
83.04916	4.3
85.02798	0.8
85.06487	2.1
87.04375	1.1
95.04843	0.6
99.08060	4.2
111.04430	6.7
121.02841	0.7
129.05417	0.4
133.10071	1.3
135.11736	4.3
135.29933	0.4
137.02339	0.4
139.11183	0.4
141.12708	0.5
151.11198	0.8
158.14088	0.4
158.94351	0.5
169.12251	0.4
171.10176	0.8
171.13861	3.6
190.01411	0.4
201.11343	0.7
217.16055	0.6
221.18961	1.1
225.43362	0.4
237.18593	5.2
265.18127	4.2
266.18536	0.5
269.98047	0.4
283.19208	8.6
284.19528	0.9
297.97617	1.3
301.20261	100.0
302.20581	9.5
313.00027	1.9
328.02252	1.1
343.04623	1.1
343.21341	28.0
344.15076	2.2
344.21671	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	343.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25414	0.8
57.03331	2.1
59.01265	43.5
63.42692	0.8
71.01271	3.6
71.04908	2.6
71.58685	1.4
80.02542	0.9
83.04932	1.8
84.02058	2.8
85.02843	1.9
85.06494	1.0
87.04467	1.1
88.03942	1.2
89.02341	3.1
95.04948	5.9
97.02843	1.2
97.06480	7.0
99.04423	1.2
99.08066	1.8
107.04948	1.1
109.06486	2.6
111.08074	4.8
113.06002	1.2
113.09621	4.7
114.13884	0.9
115.83101	0.9
121.06514	1.8
123.08076	33.4
124.08453	0.9
125.09632	2.5
127.07547	5.9
127.11246	1.8
135.08057	1.7
137.06047	4.3
143.07057	11.4
151.66174	0.8
155.05867	1.3
155.07094	15.9
171.10181	4.1
173.08083	4.4
173.09569	1.7
175.07578	1.1
175.11252	2.1
177.09129	1.9
199.14914	1.9
201.09239	1.3
209.11768	1.1
211.13388	7.7
215.14288	1.1
219.06711	1.2
219.10283	1.4
221.08220	2.4
229.14447	14.2
235.17087	1.3
247.17094	2.8
265.18137	8.6
266.18341	1.2
269.18958	1.4
269.98114	1.1
281.19186	2.4
283.19214	100.0
284.19571	9.8
297.97458	1.5
299.16562	2.1
299.20157	5.3
301.20255	12.6
302.20612	1.5
312.99942	2.2
313.18231	1.1
325.17944	1.7
328.02182	1.9
343.04736	1.8
343.15381	5.9
343.21661	79.3
344.15573	3.5
344.21933	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	343.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34464	0.3
59.01265	100.0
60.01606	0.9
69.03340	0.4
69.51104	0.3
71.01269	7.0
71.56583	0.4
72.99205	0.5
73.02829	0.5
83.01318	0.5
85.02848	2.1
87.00748	0.4
89.02332	7.9
90.02667	0.3
93.03394	0.4
96.95960	0.3
99.00752	0.4
101.02351	4.2
113.02366	3.2
119.03441	2.6
119.08615	0.7
121.02966	0.5
125.02434	0.4
126.33530	0.3
130.08681	0.3
131.03380	0.3
137.09680	1.1
143.03488	0.6
161.04515	0.7
164.03247	0.3
179.05669	1.7
181.08739	0.5
191.03986	0.3
191.05573	0.7
269.98083	0.4
297.97717	0.4
313.00131	0.9
328.02368	0.6
343.04968	0.5
343.14081	1.5
343.21259	0.5
344.15039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03285	1.6
59.01205	27.5
59.01532	2.4
60.01555	1.0
67.05365	0.6
68.63264	0.4
69.03278	1.8
69.41371	4.1
71.01209	1.4
71.04898	2.7
72.99184	2.9
81.03291	0.6
83.04903	3.7
84.05192	0.5
84.31703	0.4
85.06441	0.8
87.04353	0.5
90.73409	0.5
93.03318	0.6
95.04911	0.6
97.06402	0.6
97.87026	0.5
109.06429	0.4
111.04431	7.7
111.08040	0.6
121.02842	0.8
123.08022	0.9
125.09600	0.7
129.09041	1.4
141.12642	0.5
161.13103	0.5
163.14891	2.6
169.12239	0.5
171.13803	2.0
197.11703	0.7
201.11316	1.0
209.11758	0.8
211.11224	1.6
219.17433	0.5
221.19060	0.7
225.18620	0.7
237.18616	9.5
238.18874	1.0
265.18118	6.3
266.18362	0.6
269.98203	0.6
283.19165	7.3
284.19522	0.6
297.97546	1.0
299.16489	2.2
301.20261	100.0
302.20590	10.6
312.99942	1.3
325.20261	1.3
328.02475	0.9
343.04758	0.9
343.15427	1.3
343.21341	41.2
344.15076	1.8
344.21588	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01603	0.8
69.86411	1.5
71.01266	4.5
83.58599	0.3
85.02858	0.8
87.00789	0.4
89.02343	5.3
101.02341	2.4
113.02374	1.9
119.03417	2.2
121.02873	0.5
127.00299	1.0
135.04414	0.5
143.03450	0.5
151.00276	0.4
158.24190	0.3
161.02388	0.3
161.04504	0.6
179.05586	0.9
181.08617	0.4
191.05661	0.4
266.95544	0.4
297.97726	0.4
313.00153	0.5
328.02155	0.5
328.09702	0.5
343.04697	0.4
343.11850	0.7
343.15421	0.4
344.15198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	78.8
61.32627	0.7
65.88413	0.9
69.03348	3.2
71.01270	3.0
71.14758	1.6
83.01262	1.0
85.02825	1.5
87.00772	8.1
89.02332	1.5
93.03366	2.0
95.01322	0.9
96.00828	0.9
96.95876	1.0
97.02854	2.3
98.02380	2.2
99.04420	4.9
101.02337	2.9
106.52660	0.8
109.02834	0.9
111.00790	3.8
113.02363	2.5
116.07119	1.9
118.98009	1.9
119.03436	1.0
121.02870	100.0
122.03149	3.7
124.07613	1.4
130.08667	7.6
135.04434	2.3
138.09190	1.7
141.01846	2.0
152.07127	2.7
161.04510	1.1
166.08694	1.7
177.85854	0.8
191.05495	1.0
201.04015	1.2
211.14531	0.9
221.16591	1.5
229.15622	1.0
247.14552	1.2
255.10321	1.9
265.15701	1.7
269.98062	1.1
283.08353	2.4
297.97607	1.3
309.14642	11.2
312.99771	1.8
326.17215	6.5
328.02243	2.3
343.04691	2.0
343.10400	2.5
343.14395	1.0
344.11453	1.0
344.14822	1.4
344.18442	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	343.0832
Annotation	2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
51.35268	0.4
59.01274	2.3
65.03848	0.5
69.75599	2.4
70.69765	0.5
71.01273	4.0
81.03373	0.8
91.05447	0.6
93.03369	7.7
107.04903	0.4
108.02082	17.7
109.02870	36.9
110.03219	1.0
111.14133	0.4
115.00300	5.5
117.03394	1.3
117.11928	0.5
119.04956	3.3
121.02872	15.6
122.03688	6.6
123.04431	3.5
124.01586	0.9
130.04184	1.0
131.04970	1.5
132.05707	2.2
133.02879	1.4
133.06538	2.1
134.03647	0.9
135.04448	5.2
137.02399	1.0
143.04962	1.5
145.06537	6.2
146.03690	0.9
147.04471	1.3
148.05219	1.0
149.06013	1.5
154.02655	1.0
154.50320	0.4
159.04501	0.5
161.06035	1.5
163.03972	1.4
171.08174	0.6
177.05585	0.5
179.03464	1.1
181.06528	1.3
182.07420	0.8
183.08127	1.5
184.05208	0.5
185.06010	0.8
189.05562	6.2
190.05933	0.5
193.06580	0.4
197.06061	0.5
199.07776	0.5
201.39330	0.4
209.06059	0.6
211.07628	0.4
213.09227	1.2
222.07010	0.6
225.05577	1.0
226.06367	15.8
227.07133	25.4
228.07492	1.9
231.60971	0.4
233.04616	0.7
235.07716	1.2
237.09233	5.6
238.09653	0.8
239.07161	1.4
240.07881	0.7
251.07079	0.4
253.08682	3.0
254.09225	0.9
255.10312	100.0
256.10648	8.6
281.08273	0.6
292.72256	0.5
293.07443	0.4
299.09274	0.9
343.08295	30.9
344.08630	3.5
344.15051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2657
Annotation	O-lauroylcarnitine
Peak:m/z	Relative Intensity
54.61144	1.0
58.00481	2.2
58.02846	2.0
59.01266	18.3
60.04427	9.2
60.22601	1.3
60.67528	1.1
66.03369	2.1
68.53358	1.1
69.88360	1.1
70.02549	1.5
70.02876	12.4
71.01268	13.1
71.58383	1.2
72.00799	4.9
72.04430	1.3
72.99215	1.8
73.02843	16.1
82.69313	1.2
85.02832	2.8
86.02365	11.3
88.03936	95.4
89.02328	4.0
90.02638	1.6
93.03369	1.4
94.65227	1.0
95.04859	1.3
97.02877	2.3
98.03644	6.5
100.03944	100.0
101.02346	3.0
101.04263	1.5
104.03445	1.2
109.05240	1.6
109.06541	1.4
119.03432	2.7
120.11329	1.2
121.02874	2.6
128.13327	1.1
133.02904	1.8
134.04674	2.5
135.04433	1.8
161.02382	3.5
169.62817	1.2
173.04654	1.5
179.05553	1.8
185.74301	1.4
191.05540	1.6
207.10272	1.6
221.19145	3.5
223.20659	15.6
225.21967	1.2
235.20818	1.4
241.20728	1.1
247.06258	1.2
253.21773	16.2
265.21725	20.6
266.22101	1.6
269.98093	2.1
276.23416	6.8
282.24451	5.3
285.00543	1.5
297.97632	3.4
306.24429	18.7
307.24677	2.0
310.23892	9.2
312.99994	5.8
314.27100	11.2
324.25516	3.0
328.02307	4.2
342.11285	3.0
342.26566	83.1
343.04568	4.1
343.15579	1.7
343.19226	2.0
343.27283	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2705
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
52.17340	0.3
53.35566	0.3
55.56828	0.3
57.03320	0.7
59.01263	5.4
66.57295	0.3
69.62043	0.5
69.62454	1.7
71.01269	4.7
72.99218	0.3
78.95792	0.4
83.04928	0.4
85.02841	0.4
87.00770	0.4
89.02339	5.3
98.19863	0.7
101.02335	1.9
113.02358	1.6
119.03397	2.0
143.03474	0.5
149.04475	0.3
161.02441	0.4
161.04466	0.8
164.04774	0.4
170.60434	0.3
179.05566	2.1
179.07034	0.6
184.01563	0.7
185.00641	2.6
214.30971	0.3
251.23692	0.3
277.25366	1.1
279.26984	63.3
280.27328	5.6
297.27896	1.6
317.41464	0.4
323.25955	20.5
324.26251	2.3
341.11093	2.9
341.20078	8.9
341.27014	100.0
342.20319	1.0
342.27335	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	341.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
58.00476	0.8
58.96864	0.5
59.01266	24.7
61.46272	0.5
67.65570	0.5
69.03345	1.6
70.80998	0.7
70.81314	0.9
71.01270	18.0
71.42827	0.5
72.99202	0.9
77.13046	0.5
77.26086	0.5
84.02062	21.4
85.02405	0.5
85.02827	2.7
89.02341	18.9
95.01273	0.9
97.02855	8.0
97.06480	0.5
99.04409	5.1
99.76636	0.6
101.02341	7.0
109.02895	0.7
113.02364	6.6
116.84928	0.6
119.03428	6.5
119.08571	3.3
120.13062	0.5
125.09608	1.1
126.03585	0.7
127.11209	1.5
131.03435	0.8
133.02910	1.7
134.03702	0.9
135.04454	4.0
135.08087	1.7
137.02386	0.6
137.09618	0.8
143.03430	2.1
149.04543	0.8
150.28964	0.5
159.98247	0.5
161.02423	6.0
161.04414	2.7
165.55655	0.6
170.97025	0.6
171.10237	61.5
172.10585	3.2
179.03479	3.2
179.05580	7.2
191.05589	0.9
197.02754	1.3
203.03554	0.6
221.11894	0.7
263.20139	0.7
281.12418	0.6
291.19626	0.8
299.20078	0.7
305.21689	0.7
320.14151	0.6
341.10947	9.2
341.14740	3.2
341.18381	4.5
341.23398	100.0
341.65131	1.4
342.11279	1.2
342.18237	0.8
342.19025	0.9
342.23779	12.1
342.27213	0.5
358.24918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.7
59.01265	10.9
62.68696	0.4
67.01817	0.4
69.03336	1.9
69.26907	4.2
71.01270	6.9
83.04910	1.4
84.02060	8.5
85.02835	1.4
87.00787	0.6
89.02340	8.3
95.01328	0.6
95.04939	0.5
97.02879	2.3
97.06489	9.2
98.06805	0.4
98.19820	0.8
99.04433	2.3
101.02356	3.5
111.08072	0.5
113.02347	2.9
119.03430	3.6
119.08560	1.2
123.07953	0.4
125.09638	1.4
127.11170	1.0
130.08685	0.7
131.09003	0.6
135.08061	0.6
137.09671	1.5
143.03464	1.0
148.49925	0.3
149.04454	0.4
149.13289	0.6
151.11264	0.5
161.04494	1.1
165.12843	1.1
171.10225	20.1
172.10562	1.1
175.11179	0.6
177.12726	0.7
179.05577	4.4
183.01093	0.5
183.13902	2.2
193.12305	13.3
194.12668	1.1
197.02774	1.2
197.15413	0.5
211.13391	2.9
221.11848	0.9
225.14981	16.9
226.15359	1.3
243.13786	0.5
243.16071	7.2
244.16405	0.6
253.14389	0.7
253.16441	7.7
291.19653	1.3
341.11160	5.8
341.18274	5.1
341.23398	100.0
342.11197	1.1
342.18460	1.0
342.23727	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	341.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69408	1.2
57.03326	6.1
59.01266	20.5
59.53734	1.3
59.58478	1.1
67.01781	3.3
69.03337	7.1
71.01273	11.7
71.04907	30.6
72.99199	2.2
78.95825	1.8
79.65160	1.1
80.02567	1.2
81.03352	31.9
82.03692	2.2
83.01279	3.1
83.04916	17.4
84.02060	1.7
85.02840	3.5
87.00783	2.8
89.02345	10.8
93.03387	2.8
95.04930	14.6
96.99189	1.4
97.02870	7.5
97.06505	5.1
98.03684	2.0
98.19775	3.1
99.04419	32.6
101.02361	5.2
106.04131	2.7
107.04942	2.1
108.02065	1.7
109.02870	4.4
109.06522	8.2
111.04422	10.6
113.02354	5.5
115.00269	4.8
119.03449	3.3
121.02885	1.3
121.06514	2.4
122.03652	1.5
123.04481	2.3
123.08076	3.3
123.27366	1.3
125.09624	2.6
127.00295	2.3
127.07586	3.4
129.74580	1.3
133.06493	2.7
135.04437	4.9
135.08070	2.3
137.02397	1.8
137.09634	1.5
139.07587	1.4
145.01355	12.6
149.09694	1.6
151.07567	8.9
153.09120	3.7
155.10707	2.5
161.02393	2.9
161.05879	1.4
165.09105	2.4
171.10225	34.1
172.10579	1.2
173.04515	3.8
175.11188	1.4
176.03990	3.9
179.03387	2.9
179.05592	3.7
183.13939	1.4
185.11880	2.0
189.05528	1.8
189.09161	1.8
189.12817	3.0
191.05592	6.3
191.14413	5.4
193.12315	15.0
199.13339	2.7
207.13872	2.8
209.11848	3.1
209.15472	2.4
211.13423	5.0
213.14926	8.3
229.56720	1.5
233.09505	1.5
233.11829	2.1
235.13405	41.9
236.13678	3.5
243.17604	3.0
249.14893	2.5
251.12921	1.8
253.14485	100.0
254.14836	7.6
269.15509	1.8
287.16586	23.1
305.17661	13.6
306.18140	2.4
309.85773	1.4
321.50534	1.3
323.18787	8.2
335.07745	1.5
341.05154	1.7
341.10956	8.5
341.16013	4.4
341.19714	8.8
342.20361	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	341.1095
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
57.03331	1.8
58.00475	4.4
58.35800	0.8
59.01264	100.0
71.01268	71.3
72.01621	1.4
72.99205	3.0
73.02828	3.1
75.00754	2.5
78.95792	13.0
83.01278	2.2
85.02839	8.5
87.00764	6.1
89.02338	85.6
90.02664	1.3
93.03352	2.5
95.01282	3.0
96.00829	1.0
96.95911	1.7
96.96863	26.1
99.00809	1.2
101.02346	35.5
107.03381	1.1
107.11510	0.9
113.02354	27.5
119.03418	31.7
125.02385	0.9
130.20711	0.8
131.03415	4.6
135.04468	1.5
137.02365	2.4
143.03433	8.4
149.04500	4.3
161.04494	12.0
179.05583	39.4
179.07162	1.9
180.06003	1.6
191.05685	0.8
221.06647	0.9
267.10223	1.0
341.10983	46.6
342.11404	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	341.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.2
57.03328	1.9
58.00474	1.2
59.01268	30.0
67.01765	1.2
69.03327	2.1
70.41579	0.6
71.01271	20.3
71.01667	1.0
71.04892	1.3
71.62797	0.8
72.99200	0.9
78.41945	0.6
81.03351	4.5
83.01268	1.0
83.04915	5.1
84.01547	1.1
84.02061	21.2
85.02851	10.6
87.00745	1.3
89.02339	25.3
91.93614	0.6
95.01268	1.0
95.04922	0.9
97.02860	11.2
97.06491	0.8
99.04423	8.5
100.76594	0.6
101.02359	9.5
109.06502	0.9
111.04414	1.5
113.02355	6.9
119.03426	8.5
119.04948	1.0
119.08598	1.7
125.09660	1.6
127.11201	1.2
131.03400	1.1
135.08095	2.0
137.09645	2.6
143.03444	2.4
149.04555	0.8
153.09138	1.0
155.10715	0.9
161.04495	2.2
168.58499	0.7
171.10229	55.7
172.10570	1.8
177.12874	1.4
179.03391	0.6
179.04004	0.9
179.05576	9.6
182.19420	0.6
183.01172	1.5
183.13913	2.3
193.12296	2.9
195.13855	0.7
197.02768	2.6
205.07716	0.6
211.13326	1.5
215.12737	0.8
221.11852	6.3
225.15071	0.8
235.13408	3.4
239.12926	6.7
240.13745	0.8
253.14240	3.0
253.16679	1.1
281.12558	1.1
291.19705	3.0
341.11020	13.1
341.18161	8.5
341.23410	100.0
342.19653	1.0
342.23822	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	341.1096
Annotation	Sucrose
Peak:m/z	Relative Intensity
57.03352	1.4
58.00473	4.0
59.01266	85.4
71.01272	72.9
71.06215	3.5
72.01595	1.7
72.99200	4.9
73.02838	2.1
78.95793	2.5
80.96730	1.3
83.01299	2.1
85.02839	9.0
87.00768	5.7
89.02340	100.0
90.02689	1.4
93.03362	1.2
95.01291	3.5
101.02351	40.2
105.85712	1.4
113.01768	0.7
113.02357	30.2
119.03426	38.4
120.03757	1.5
131.03404	6.3
133.98457	1.3
137.02357	2.9
143.03450	12.3
149.04480	3.2
161.04503	14.9
179.05592	52.2
179.07175	2.8
195.14543	1.3
254.68147	1.2
341.10944	63.6
342.11288	4.8
349.23285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1035
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
59.00998	0.5
59.01270	7.9
65.00204	0.7
71.01273	6.6
71.17046	1.0
72.99194	0.6
76.36194	0.4
82.67822	0.4
85.02830	0.7
87.00760	0.9
89.02340	6.2
89.03864	0.4
91.01809	3.9
95.01331	0.7
96.99222	6.5
101.02341	2.7
108.02085	2.1
111.00765	0.4
113.02349	2.0
115.05459	5.5
115.58009	0.4
117.03375	1.5
119.03445	2.9
123.04441	12.8
124.01567	0.8
131.03415	0.4
133.02812	0.5
134.02644	0.8
134.03668	15.6
136.05244	0.4
142.19940	0.4
143.03418	0.9
145.02904	2.8
146.03726	3.0
147.04442	6.6
148.01682	0.6
149.04463	0.4
149.05977	1.4
150.03119	0.5
153.05505	0.6
158.03670	2.5
159.04460	7.1
160.01573	0.7
161.04552	1.3
161.06020	2.4
163.03914	2.0
171.10211	0.5
173.06041	1.6
175.03989	1.0
178.02667	1.4
179.05621	3.2
186.21040	0.4
187.03981	1.1
191.05424	0.4
193.05037	5.8
194.05424	0.4
209.11790	0.6
210.06857	1.4
219.08145	1.0
222.06836	0.7
223.07620	0.4
225.09206	1.2
234.06857	1.3
235.07655	18.6
236.08345	6.7
237.09216	8.6
238.10011	4.3
247.07748	0.6
249.09123	0.7
251.10825	1.4
263.07175	5.2
264.07962	15.2
265.08408	1.9
279.10352	9.9
280.10684	1.0
297.11307	0.5
299.18805	0.8
308.07010	3.3
323.09335	5.8
324.09647	0.8
337.38257	0.4
341.10410	100.0
342.10718	11.5
342.14832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	19.7
62.75509	0.9
71.01269	14.7
71.04894	1.8
81.03349	3.1
83.04913	2.5
85.02852	1.5
87.00786	2.0
89.02341	32.5
93.03360	80.2
94.03687	1.8
95.01263	0.9
95.04903	1.2
96.99218	13.1
100.52084	0.7
101.02347	11.9
101.20396	0.8
105.48086	0.8
109.02841	1.1
109.81783	0.7
111.04417	6.9
113.02364	10.4
117.03384	7.0
119.03424	17.3
119.04910	4.9
121.02884	1.1
123.04433	8.9
127.62780	0.8
130.04155	4.7
131.03400	2.2
131.04956	15.3
133.02876	13.1
135.04440	1.4
137.02379	2.0
139.07626	0.9
143.03450	4.3
143.04965	77.2
144.05371	4.1
145.02902	10.5
147.04434	1.8
149.04482	1.2
151.07568	3.9
158.03734	1.3
159.04530	4.1
161.02368	1.3
161.04483	8.3
163.03937	1.8
169.08650	4.5
171.04469	9.4
171.10210	10.1
179.05577	28.5
179.07092	1.2
181.61908	0.8
201.11377	1.5
203.03531	1.9
208.28992	0.8
210.06851	1.9
211.07622	18.0
212.07912	1.1
213.11394	1.1
219.08221	4.5
221.09729	7.2
222.06866	1.5
223.07709	3.7
235.05405	1.6
235.07632	14.9
236.08078	1.5
237.09215	23.0
238.09612	2.6
247.07669	2.5
253.85506	0.8
263.07147	2.3
264.07962	2.7
265.08749	100.0
266.09134	10.9
279.06689	2.9
280.07385	1.4
281.08490	2.2
281.12540	1.5
283.09656	1.3
309.07764	32.9
310.08069	3.7
311.09265	2.5
314.35876	0.9
315.25388	0.9
326.11597	1.9
327.08838	14.5
328.09134	2.2
341.10843	42.8
341.14182	2.4
341.19937	1.2
342.11176	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	341.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	3.5
57.03344	2.4
57.92414	0.3
58.00486	0.3
58.52284	0.4
59.01269	7.6
61.01112	0.3
71.01273	7.1
71.59721	0.6
72.99191	1.1
75.00758	1.8
78.12456	0.3
85.02863	1.1
87.00771	0.7
89.02338	6.1
89.03841	1.7
93.03345	0.3
96.95962	0.3
97.99568	0.3
99.00802	0.8
101.02349	3.2
109.02837	0.4
113.02372	2.5
117.01991	0.3
117.03383	8.6
118.03697	0.4
119.03429	2.3
119.04975	1.0
121.02879	3.1
129.01884	2.1
133.02869	0.4
134.03673	74.6
135.03978	2.9
137.02377	1.4
143.03404	0.5
147.02939	5.3
147.04514	0.7
149.06024	6.5
161.04532	0.8
163.03970	0.4
165.04030	2.1
173.04509	0.4
178.02681	2.1
179.03372	0.4
179.05569	2.1
179.07077	10.5
193.05043	100.0
194.05409	6.5
253.08820	0.9
341.08908	4.5
341.12100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	11.4
70.95631	1.1
70.95959	1.7
71.01271	7.2
73.02834	16.6
83.55962	0.9
85.02835	2.4
87.00764	8.2
89.02333	5.9
96.03347	1.0
101.02367	3.0
103.15209	0.8
105.01834	4.5
112.89437	0.8
113.02370	0.9
114.48167	0.8
116.28649	0.9
119.04951	82.8
120.05252	4.8
129.01897	1.7
132.82486	0.8
135.04446	9.1
147.02927	2.0
160.38037	1.0
163.03966	100.0
164.04280	4.3
177.04033	4.1
179.03525	3.0
184.82010	0.8
195.05080	17.1
200.75249	0.9
204.27809	0.9
210.74512	0.9
238.52663	1.0
341.08862	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	341.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	18.0
71.01272	15.8
71.56521	1.1
72.99175	1.2
73.02834	2.9
78.95805	3.4
85.02849	2.9
87.00774	3.4
89.02342	11.7
89.03868	2.5
91.00308	1.0
93.03350	1.8
101.02339	7.5
113.02330	4.1
117.03379	8.9
119.03426	4.7
119.04949	3.7
120.83304	1.1
129.01831	1.0
131.28375	0.9
134.03668	99.1
135.04536	7.6
137.02391	9.1
145.02844	1.8
147.02940	1.7
149.06038	6.4
161.04451	1.3
163.03951	3.2
165.03975	1.8
177.04108	1.4
178.02663	4.7
179.03470	9.4
179.05556	4.8
191.05550	1.8
193.05032	100.0
194.05362	6.2
195.05038	1.5
253.08650	1.1
311.01038	1.0
341.08664	3.3
341.10962	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.255
Annotation	11-deoxy-PGF1alpha
Peak:m/z	Relative Intensity
57.03344	5.5
59.01266	14.2
60.76697	0.9
63.62476	0.7
67.56097	0.9
69.50822	5.9
69.51229	1.5
71.01277	1.5
71.04915	0.9
73.02834	0.9
99.24406	0.8
101.02368	1.5
106.70243	1.0
113.09074	0.9
134.03630	1.1
139.11232	2.2
142.86896	0.9
161.04494	0.9
167.14368	41.9
168.14682	2.5
174.09486	0.9
183.01146	6.6
195.17557	1.0
240.14067	0.9
274.57208	0.8
339.12589	1.2
339.16663	11.8
339.25473	100.0
340.16776	2.5
340.25821	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	339.2548
Annotation	Blepharizol A
Peak:m/z	Relative Intensity
50.16867	0.2
52.86127	0.2
59.01265	100.0
60.01599	0.9
70.19361	1.1
92.28408	0.2
98.19893	0.3
111.04508	0.2
115.33020	0.2
116.48261	0.2
141.59789	0.2
143.03413	0.2
163.11249	0.4
188.99280	0.2
251.23883	0.3
279.23322	6.5
280.23676	0.7
295.22928	0.3
297.24411	44.0
298.24756	4.6
339.25473	15.7
339.29697	0.4
340.25797	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	339.2335
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
56.83560	0.1
59.24008	0.1
70.89771	0.2
81.80817	0.1
107.04919	0.2
114.94031	0.1
147.08093	0.2
158.54572	0.1
163.11229	100.0
164.11560	5.0
174.73274	0.1
183.01225	0.5
184.01886	0.1
294.03778	0.1
339.23343	64.0
340.23672	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	339.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.2
61.98185	0.2
71.34184	0.5
71.34529	0.3
75.55839	0.2
77.08871	0.2
79.95583	1.0
100.88688	0.2
105.08819	0.2
114.03586	0.2
114.72332	0.2
115.09985	0.2
119.04934	1.0
163.11223	0.7
170.00368	1.8
183.01173	47.8
184.01689	2.7
197.02786	1.2
211.04382	0.2
216.00995	0.8
225.05898	0.7
230.02498	0.3
239.07443	1.1
253.09097	0.3
262.32339	0.2
275.24051	0.4
339.20041	100.0
340.20346	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	339.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04173	1.2
53.93999	1.7
59.01265	75.0
67.59211	1.3
70.30217	1.3
71.01275	3.8
72.99197	1.5
73.02831	2.7
81.03345	3.1
81.29779	1.2
83.01244	2.4
84.16587	1.2
85.02853	8.0
87.00747	1.9
93.03372	6.0
95.04939	1.5
96.95924	2.0
98.19758	3.2
99.04416	3.1
101.02310	1.9
105.03394	2.5
113.02380	2.9
117.03385	2.5
119.04933	8.1
121.02861	1.6
131.03400	1.9
132.02109	18.8
133.02888	26.8
134.03673	73.7
135.04370	4.3
136.01602	2.1
137.02342	5.8
139.03938	2.9
145.02922	1.8
147.04488	1.6
148.05200	4.2
149.02437	2.7
149.06017	34.5
150.06296	1.8
151.03929	2.7
159.04465	2.9
160.01608	100.0
160.05171	3.4
161.02068	4.9
161.06041	4.8
163.03938	8.0
173.04584	2.1
175.03963	99.9
175.06192	3.3
175.07510	2.9
176.04216	7.1
177.01958	7.5
178.02678	5.0
179.03442	1.5
190.06302	1.8
191.05608	14.1
192.05927	4.5
193.04968	51.7
193.07178	6.4
194.05411	3.4
204.04227	2.7
235.09778	1.6
239.18417	1.3
242.11472	1.3
264.06430	17.4
279.08807	77.7
280.09192	7.8
324.08563	4.4
336.79501	1.4
339.10934	69.9
340.11273	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	339.073
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01270	3.1
65.00211	0.8
65.03845	1.8
67.01768	0.8
67.95293	0.2
68.99737	0.3
71.01267	0.6
71.58196	0.4
71.58611	0.5
80.02603	0.6
85.02816	0.3
91.01792	50.9
92.02130	1.8
93.03357	0.3
108.02080	1.1
109.02862	14.3
113.02340	0.4
119.04912	0.3
121.02848	1.3
123.04440	0.8
131.04944	0.3
133.02913	1.6
135.00809	100.0
136.01091	3.2
137.02370	3.1
148.01485	0.4
149.02353	1.4
153.01878	68.4
154.02219	2.6
161.02370	2.0
163.03978	0.5
175.03938	0.6
177.01907	1.7
189.01918	1.4
191.05547	0.5
217.32169	0.2
279.05228	1.0
295.09930	0.3
297.06259	0.9
339.07272	36.0
340.07684	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	337.2392
Annotation	2alpha,3alpha-Dihydroxycativic acid
Peak:m/z	Relative Intensity
57.03330	1.1
58.53617	0.3
59.01263	6.6
67.92677	0.3
71.01273	1.6
71.04907	0.9
71.59739	0.5
72.02065	0.7
73.02835	1.4
73.19440	0.3
78.95776	1.0
83.04910	2.7
84.02058	0.6
85.02834	0.8
87.00765	0.5
87.04398	0.5
93.03352	0.6
97.06431	0.3
101.02319	0.4
111.04391	0.5
113.02332	0.4
147.01097	0.4
152.99567	1.0
161.02396	1.7
163.11276	0.7
169.02182	0.5
177.12801	1.1
179.03403	0.3
179.14407	0.5
191.05615	1.2
191.10851	0.3
213.05489	0.5
229.08598	0.6
245.19157	0.6
247.20708	31.6
248.21030	3.1
249.19873	0.6
249.22278	8.2
250.22623	0.8
256.04810	0.4
259.20703	0.4
263.23843	2.1
273.22238	0.5
275.20248	0.6
275.23886	1.2
277.09164	0.8
277.21793	6.7
278.22235	0.8
279.06836	0.3
291.20209	0.5
291.23239	2.2
292.23459	0.4
293.21631	0.5
293.24918	12.0
294.25232	0.9
307.06485	0.5
319.22787	1.5
321.20682	0.4
337.23914	100.0
338.24271	10.6
339.05292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2393
Annotation	2alpha,3alpha-Dihydroxycativic acid
Peak:m/z	Relative Intensity
57.03329	1.4
59.01268	10.2
67.01803	0.6
69.03340	0.7
71.01264	1.7
71.04912	2.1
71.56654	0.7
73.02837	2.1
75.44582	0.5
78.95811	0.7
79.82781	0.5
81.03332	0.6
83.04908	0.7
84.02074	0.9
85.02843	1.5
87.00792	0.7
87.04432	0.6
93.03354	1.0
99.04461	0.7
103.13393	0.5
113.02341	0.7
133.02855	0.8
137.02603	0.6
143.51434	0.5
152.99513	0.9
161.02380	2.1
163.03925	1.0
163.11226	2.8
173.04558	0.7
177.12816	0.9
189.12892	0.7
191.05566	4.4
193.26311	0.6
247.20709	73.1
248.21033	6.3
249.22290	4.3
259.20639	2.6
263.23819	1.4
273.22333	6.8
274.22610	1.2
275.20941	0.5
275.23843	2.9
277.09189	0.7
277.21777	13.0
278.22043	1.1
279.06665	0.5
291.20053	1.1
291.23364	21.5
292.23740	2.1
293.21597	0.7
293.24887	6.0
307.06049	0.6
319.22876	1.8
337.23914	100.0
338.24261	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	337.2393
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
57.03333	2.9
59.00993	1.6
59.01266	18.5
59.98406	6.5
60.99178	2.3
67.01784	1.5
69.03330	3.7
69.86417	5.8
71.01267	1.5
73.02824	2.5
75.21348	0.9
81.47124	1.0
83.04926	2.0
85.02840	4.2
87.00778	1.0
93.03358	3.6
97.06477	1.8
98.03616	1.2
107.04924	1.3
119.04958	2.0
123.08081	1.8
128.24463	1.0
135.04375	1.3
135.11722	1.2
137.09633	1.5
152.99516	1.0
155.10698	4.8
157.87415	1.0
161.02405	2.8
163.03958	3.1
165.09157	1.3
167.14342	2.5
173.04546	2.5
183.10242	5.9
189.12788	1.6
191.05554	19.5
191.14430	2.1
235.13393	3.1
243.50737	1.0
249.18567	1.3
277.09305	2.2
293.24747	2.0
337.03656	1.7
337.23901	100.0
338.24255	13.6
341.08426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2394
Annotation	Betaenone E
Peak:m/z	Relative Intensity
52.26396	0.4
59.01266	100.0
60.01605	0.9
69.03333	0.5
71.01276	0.7
71.60070	0.8
72.99229	0.4
78.95785	2.3
126.14484	0.4
158.80724	0.4
161.04520	0.4
163.04001	0.5
191.05602	1.4
197.02817	0.4
247.83784	0.4
265.21890	0.6
277.21786	6.5
278.21924	0.5
279.23468	1.3
288.53244	0.4
293.24158	0.5
295.22852	34.6
296.23138	3.3
327.02402	0.4
337.23752	16.2
338.24399	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	337.2393
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
52.94848	0.5
54.91086	0.6
57.03338	1.5
59.01264	88.3
60.01599	1.0
64.75042	0.8
71.01267	1.2
71.04930	0.6
71.56400	0.9
75.00340	0.6
78.95792	3.1
81.03359	0.6
85.02863	0.8
93.03357	0.7
95.04919	0.6
125.09576	0.8
127.07596	1.9
152.82317	0.6
152.99535	4.3
161.02367	1.4
163.03984	0.8
173.04607	0.9
191.05579	2.8
193.12352	0.8
259.20673	4.0
275.20322	1.0
277.09366	1.4
277.21802	3.9
293.21271	2.0
293.24576	1.1
295.15509	1.6
295.22864	1.9
307.06061	0.7
337.23907	100.0
338.24182	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	337.2392
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
59.01265	11.5
67.44262	0.9
71.60184	1.7
73.63006	0.9
78.95791	1.2
85.02849	1.1
85.06482	1.0
99.15240	1.0
109.29053	1.0
127.11172	1.0
165.12781	2.7
171.10243	16.8
172.10535	1.2
217.38824	1.0
219.67009	1.0
251.16560	10.1
277.09390	1.9
279.23062	0.9
299.16446	1.2
319.22937	6.8
320.23227	1.3
337.23920	100.0
338.24234	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	337.1091
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
51.84544	0.8
53.03469	1.1
56.07455	0.8
57.01030	0.9
59.01271	7.2
67.01769	3.5
69.03320	0.9
69.88424	6.0
71.01273	3.2
85.02844	2.6
87.00783	2.7
93.03363	20.8
98.19872	1.7
111.04449	3.3
113.02360	3.9
117.03422	1.0
119.04947	24.3
137.02391	2.3
145.02917	2.3
149.65384	0.9
155.03448	4.3
162.03209	1.7
163.03963	26.9
164.04324	1.6
168.04308	1.1
169.03000	1.1
169.50739	1.1
170.03699	1.0
173.04515	66.5
174.04918	1.9
177.05560	3.9
179.05745	1.1
179.08693	1.3
191.05573	22.3
195.08128	2.4
205.06651	1.0
206.07356	2.4
207.08092	6.1
217.06648	1.4
221.06212	1.2
222.06848	2.8
223.07655	5.2
233.06078	2.5
234.06924	4.5
235.04059	2.5
235.07660	14.1
236.08308	1.5
237.05621	2.7
250.06528	3.6
251.07147	12.3
261.05609	1.9
262.06363	2.0
263.07251	5.3
263.19839	1.1
266.09485	5.2
267.07275	6.8
277.04904	1.1
277.08713	0.9
278.05905	3.7
279.06699	94.1
280.07108	7.9
290.06030	2.8
291.06705	37.1
292.07330	11.1
293.08078	2.1
294.09039	9.9
305.08212	6.2
306.05731	1.1
306.09030	27.3
307.06216	100.0
307.09592	8.7
308.06610	10.6
321.07724	14.0
322.08524	52.7
323.08878	4.0
337.10925	68.5
338.11267	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	337.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53355	0.6
59.01264	3.7
59.88793	0.7
64.91194	0.6
69.47930	0.6
69.75433	4.5
74.04615	0.6
82.55293	0.6
93.03355	1.6
96.95911	1.5
103.76924	0.7
117.03344	1.2
145.02867	1.3
157.02855	0.9
161.02374	1.5
162.03203	1.5
163.03893	1.4
170.03636	0.9
173.04594	0.8
177.05542	3.6
180.05595	0.6
191.05598	6.8
193.06502	1.1
195.08121	1.6
205.06586	0.9
206.07448	1.3
207.08147	6.0
209.06023	1.1
217.06621	1.5
221.06133	1.3
222.06860	2.0
223.07622	4.8
225.05539	1.0
233.06017	1.9
234.06932	3.5
235.04025	1.6
235.07616	12.3
236.08000	1.3
237.05542	2.4
249.05615	1.6
250.06349	2.3
251.07153	11.9
252.07567	0.7
261.05609	0.8
262.06421	2.5
263.07193	6.9
264.07803	0.9
266.09521	5.3
277.08990	0.8
278.05936	3.2
279.06674	83.8
280.07031	8.9
289.05264	0.9
290.06033	3.0
291.06680	35.2
292.07367	10.0
293.08240	3.5
294.09085	7.9
295.09476	0.9
305.08224	4.9
306.05606	1.0
306.09006	29.7
307.06204	100.0
307.09579	8.7
308.06534	10.5
308.10019	1.0
312.59052	0.7
321.07758	15.8
322.08530	53.2
323.08862	5.5
336.22815	1.3
337.10876	74.5
337.23215	1.4
338.11209	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	337.1089
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
54.64395	0.5
59.01262	4.3
62.14373	0.5
67.01782	0.9
69.72412	2.0
69.72822	1.1
71.01263	1.3
73.02861	0.6
73.91715	0.4
76.84311	0.5
77.69038	0.5
78.95789	1.2
83.04918	1.2
85.02833	1.7
87.00753	1.5
93.03357	6.4
96.96863	0.6
111.04426	2.2
117.03377	0.7
119.04945	52.9
120.05273	1.8
127.03914	0.7
129.01732	0.6
130.08661	2.5
133.02895	0.7
135.04471	1.2
137.02330	0.8
143.87373	0.4
145.02846	1.7
155.03462	2.9
155.04501	0.5
157.02818	0.6
160.01509	0.6
161.02356	1.9
162.03162	0.7
163.03955	100.0
164.04314	5.7
169.03000	0.5
169.06516	0.5
171.04498	0.5
173.04520	9.0
177.05547	3.2
179.03436	0.7
180.05794	0.6
191.05580	32.7
192.05949	2.0
193.06551	0.6
195.08086	1.5
205.06544	1.1
206.07327	1.6
207.08183	5.0
209.06038	0.7
217.06494	0.9
221.06033	1.0
222.06859	1.8
223.07591	3.9
233.06082	1.3
234.06892	3.4
235.03989	1.7
235.07646	10.1
236.08063	0.8
237.05550	2.4
238.06267	0.6
250.06310	2.4
251.07146	11.3
261.05634	1.6
262.06381	1.6
263.07095	6.0
264.07669	0.7
266.09555	5.1
277.08469	0.5
278.05927	3.6
279.06671	75.3
280.07013	6.2
289.05231	1.3
290.05957	3.0
291.06699	32.8
292.07346	10.0
293.08221	2.8
294.09039	8.1
295.09381	1.2
305.08212	5.1
306.05902	0.8
306.09015	25.8
307.06198	90.9
307.09537	6.5
308.06552	8.8
308.10037	1.0
321.07748	12.5
322.08505	48.8
323.08868	5.6
337.10907	63.5
338.11258	8.7
338.19849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1088
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
55.11137	0.9
57.03329	0.9
59.01266	12.8
67.01755	0.9
70.73166	2.8
71.01260	1.0
82.33370	0.8
85.02858	2.5
87.00758	1.5
93.03356	4.8
104.68687	0.8
111.04400	1.9
118.19159	0.8
119.04939	5.4
125.26378	0.8
145.02893	1.9
162.03172	1.6
163.03964	9.1
169.37721	0.8
172.91229	0.8
173.04523	3.4
177.05540	3.2
191.05591	25.6
195.08089	2.0
205.06642	0.9
206.07222	1.4
207.08145	6.0
219.08148	1.5
222.06894	1.4
223.07645	4.9
233.06128	1.0
234.06868	3.6
235.04034	2.6
235.07645	11.3
236.04750	0.9
236.08092	1.6
237.05615	2.2
250.06467	4.0
251.07204	12.2
252.07484	1.1
261.05701	1.5
262.06335	1.2
263.07147	6.6
264.07825	1.1
266.09610	6.1
277.09439	1.5
278.06000	3.3
278.71790	0.8
279.06689	84.3
280.07040	8.5
289.04968	1.0
290.05960	2.6
291.06696	33.8
292.07364	12.5
293.08322	3.5
293.25024	3.4
294.09116	9.6
295.09521	1.1
305.08154	4.5
306.09021	29.0
307.06210	100.0
307.09595	8.7
308.06531	9.4
319.23322	1.0
321.07730	15.8
322.08530	52.0
323.08795	4.7
336.22830	1.0
337.10922	72.8
337.23871	4.3
338.11328	7.7
345.46414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
58.99485	0.4
59.01268	1.1
60.99181	0.1
67.01792	0.9
69.03342	0.2
69.29566	1.3
71.01254	0.6
73.02843	0.2
79.37939	0.1
81.03365	0.4
82.03765	0.1
83.04913	1.0
85.02844	1.7
87.00771	1.4
93.03361	5.8
94.03706	0.2
96.95925	0.2
98.19788	0.2
99.04422	0.2
100.48522	0.1
102.98508	1.2
109.02877	0.4
111.04428	2.9
111.05143	0.2
113.02386	0.2
117.03358	0.3
119.04946	51.4
120.05281	2.4
120.99566	0.4
127.03939	0.8
128.10709	0.1
129.01845	0.5
130.08659	1.7
133.02863	0.2
134.03702	0.2
135.04430	0.9
137.02345	0.6
145.02911	0.4
153.76341	0.1
155.03456	2.3
156.03827	0.2
161.02348	0.2
163.03958	100.0
164.04294	5.1
173.04515	8.4
174.04880	0.3
176.04002	1.9
179.03445	0.7
191.05583	22.9
192.05949	1.1
193.03310	0.2
256.06607	0.6
307.06247	0.2
311.33795	0.1
317.06699	0.1
337.09412	5.2
337.13040	0.2
338.09821	0.5
338.19736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0937
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
57.03365	0.4
58.47195	0.1
59.01260	1.3
60.99202	0.2
67.01791	0.6
69.03368	0.3
70.35239	0.3
70.35632	0.3
71.01286	0.8
73.02864	0.3
81.03354	0.3
83.04905	0.8
85.02844	2.6
85.03283	0.2
87.00768	1.3
93.03357	6.0
93.43344	0.2
95.32673	0.1
99.04458	0.3
109.02889	0.4
111.04434	2.8
117.03419	0.3
119.04946	50.8
120.05280	2.2
121.02896	0.2
127.03919	0.8
129.01834	0.4
129.71426	0.1
135.04480	0.4
137.02391	0.3
145.02882	0.6
155.03452	2.3
161.02446	0.3
163.03958	100.0
164.04289	4.0
171.03008	0.2
173.04510	7.5
174.04765	0.3
191.05586	34.5
192.05920	1.2
195.08276	0.2
215.41417	0.1
219.95522	0.1
235.07620	0.3
251.07106	0.3
277.09134	0.2
279.06671	1.8
291.06802	0.7
292.02936	0.1
292.06976	0.2
301.20941	0.2
306.08762	0.3
307.06238	1.9
307.09421	0.2
321.07660	0.3
322.08582	1.2
337.09271	6.7
338.09750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0937
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
52.22278	0.9
59.94959	0.9
69.70538	4.9
69.70949	1.3
73.29064	0.9
76.01077	0.7
84.98462	0.8
93.03360	3.1
93.72292	0.9
98.19814	1.0
109.27290	0.8
111.04456	1.6
119.04947	38.0
120.05357	1.1
155.03432	2.3
163.03958	100.0
164.04269	5.9
173.04507	5.1
173.98853	0.9
191.05583	27.9
192.05920	1.2
337.09296	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	337.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09838	0.2
59.01262	1.4
59.36538	0.2
60.99188	1.1
67.01777	1.9
69.03339	0.5
69.82095	1.2
69.91508	0.2
71.01267	0.9
81.03381	0.5
83.04916	0.4
85.02833	2.3
87.00768	5.0
93.03359	15.2
94.03703	0.5
98.19846	0.3
99.00768	0.3
99.04420	0.4
109.02864	0.2
111.04438	2.1
113.02357	0.4
119.04941	4.2
127.03902	0.5
129.01849	0.9
145.02902	1.1
155.03465	0.9
163.03966	7.3
164.04242	0.3
173.04512	8.0
191.05580	100.0
192.05931	3.9
337.09329	5.0
337.59637	0.3
338.09756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0939
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
54.90111	0.2
57.03318	0.2
58.24879	0.2
58.59379	0.2
59.01259	1.0
60.99202	0.4
67.01765	0.7
69.03338	0.5
69.70301	1.0
69.70721	0.3
71.01272	0.6
83.04917	0.5
85.02843	7.6
85.32074	0.2
87.00768	2.0
93.03357	5.7
99.04421	0.4
108.19865	0.2
109.02853	0.7
111.04448	1.5
117.03427	0.3
119.04951	2.3
127.03945	2.2
133.02910	0.2
135.04468	0.4
145.02907	1.0
152.79138	0.2
153.01907	0.2
154.20444	0.2
154.66890	0.2
155.03404	0.2
160.80539	0.2
161.02406	0.5
163.03949	2.1
171.02946	0.4
173.04504	2.1
179.03412	0.3
191.05585	100.0
192.05937	4.1
196.08403	0.2
200.50456	0.2
231.87474	0.2
276.20279	0.2
337.09409	1.7
338.10019	0.3
356.02972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81153	0.2
57.03345	0.2
57.13437	0.2
59.01260	0.6
67.01779	0.7
69.71645	0.8
69.72057	0.3
71.01277	0.7
73.02821	0.3
81.03360	0.2
83.04906	0.3
85.02847	5.5
87.00774	1.6
93.03366	4.1
94.03722	0.3
96.53751	0.2
99.04418	0.3
109.02874	0.5
111.04440	0.9
113.02380	0.2
119.04961	1.3
127.03941	1.4
142.95517	0.2
145.02890	0.7
163.03973	1.7
171.02945	0.3
173.04521	1.8
191.05588	100.0
192.04257	0.4
192.05928	4.4
337.09375	3.0
338.09726	0.3
354.38492	0.2
358.86676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.9
59.01261	5.4
60.99181	2.2
67.01779	7.3
69.03339	2.6
70.86202	0.9
70.86571	0.9
71.01270	2.3
73.02803	0.4
75.59549	0.5
77.12119	0.4
81.03360	2.1
83.04929	1.7
85.02846	13.7
87.00771	11.8
88.01125	0.4
93.03360	42.2
94.03674	1.1
99.00781	0.5
99.04412	1.1
109.02863	1.6
111.04434	5.5
113.02396	0.5
117.03403	1.0
119.04946	18.0
120.05209	0.6
127.03935	3.3
129.01875	0.6
137.02364	0.5
145.02888	1.6
151.79803	0.4
155.03401	0.6
163.03960	10.3
171.02936	0.8
173.04526	6.6
191.05588	100.0
192.05969	3.6
337.09155	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	337.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97909	1.3
58.99488	18.6
59.01266	11.3
59.98420	0.8
65.03851	5.8
70.09615	3.1
71.01293	1.0
74.98975	2.1
85.02844	3.0
87.00764	2.1
88.96922	2.7
89.03860	1.9
92.97662	0.9
93.03348	6.8
98.19936	0.9
100.83303	0.8
102.98499	100.0
103.05440	3.9
103.99348	4.5
110.95543	0.8
111.04414	1.7
113.02382	0.9
116.32244	0.7
119.04932	7.1
120.00315	0.8
120.99586	3.8
121.01110	1.1
146.01837	0.9
147.02632	3.2
148.48878	0.7
151.72159	0.8
163.03938	11.3
169.99757	0.8
173.04512	3.6
173.05814	0.8
175.02165	3.5
177.03798	0.8
191.05582	36.4
192.06012	1.0
207.04846	17.4
207.65974	0.8
208.05051	1.5
277.09201	1.1
301.68115	0.8
301.86551	0.8
337.09372	1.7
337.23898	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34133	0.3
57.03315	0.5
59.01256	0.7
69.03348	5.2
71.04924	0.9
71.57317	0.6
75.86847	0.4
76.03922	0.3
83.04947	0.5
91.65137	0.4
97.06528	0.4
99.04417	5.0
102.41583	0.3
121.06532	0.8
123.08083	3.6
125.09631	1.2
129.47263	0.3
148.78824	0.3
151.11226	0.3
161.02327	0.4
162.02274	0.3
165.12769	0.6
167.10678	0.6
167.14429	0.5
168.52095	0.3
189.12737	0.5
191.14349	0.5
192.58765	0.4
215.60971	0.3
221.15456	0.3
237.46819	0.3
261.22345	1.1
273.22308	1.4
289.21753	1.0
290.21866	0.4
291.20193	0.5
291.23181	1.6
305.21457	1.6
317.21268	3.2
318.21335	0.6
335.22345	100.0
336.18698	0.7
336.22693	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	335.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47089	0.3
57.03329	1.0
59.01254	1.0
61.96716	0.3
62.99035	0.3
65.22708	0.3
69.03349	3.4
69.91216	0.9
69.91632	0.6
71.04907	0.3
83.04914	1.0
96.95890	0.3
97.06491	0.8
99.04424	2.0
109.06501	0.5
111.08057	0.6
121.05622	0.5
121.06508	9.3
122.06884	0.6
123.08080	1.7
125.09648	2.5
135.04442	0.3
147.08040	0.5
149.13258	0.3
151.11276	0.8
155.08719	0.4
161.02402	0.7
164.07056	0.5
165.07436	0.5
165.12796	0.8
167.10713	1.0
167.14342	0.7
173.04407	0.6
173.09624	0.4
180.81155	0.3
206.72362	0.3
219.17549	0.5
239.18112	0.5
257.19128	0.7
261.22409	0.4
271.20694	0.8
273.22241	0.9
275.20422	0.3
289.21802	9.7
290.22150	1.1
291.23334	1.8
301.17981	0.7
317.21173	1.5
335.22345	100.0
336.22668	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	335.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13012	0.1
57.03338	0.5
57.24144	0.1
59.01258	0.4
59.98400	0.1
60.99205	0.1
61.14684	0.1
67.01772	0.2
69.03342	7.4
70.03671	0.1
71.04910	0.5
71.57577	0.1
71.57990	0.1
73.02827	0.1
83.04911	0.4
85.02860	0.1
95.04884	0.1
97.06494	0.3
99.04416	6.5
100.04745	0.2
101.17387	0.0
105.07024	0.2
107.04893	0.1
109.06506	0.2
111.04411	0.2
111.08064	0.3
121.06504	0.2
123.08091	0.6
125.09639	1.5
126.09962	0.1
131.08588	0.1
133.06532	0.1
135.04456	0.1
135.08044	0.2
137.09689	0.1
145.02916	0.1
147.08110	0.1
147.11719	0.1
149.09645	0.1
149.13298	0.3
151.11217	0.1
161.02383	0.1
163.11287	0.3
165.12784	0.6
166.13145	0.1
167.10733	0.9
167.14354	0.7
169.12343	0.1
177.12782	0.2
185.13234	0.1
187.11282	0.1
189.12886	0.4
191.14371	0.2
193.16072	0.1
201.16399	0.1
203.14380	0.1
203.17998	0.1
205.15999	0.1
219.17497	0.1
221.19107	0.2
235.16974	0.3
239.18097	0.1
245.19130	0.1
255.21294	0.2
257.19104	0.2
261.22290	1.3
262.22601	0.2
265.18167	0.1
271.20703	0.2
273.22296	1.5
274.22458	0.1
275.20383	0.1
289.21786	0.5
291.20013	0.1
291.23370	2.5
292.23752	0.3
299.16577	0.2
299.20197	0.2
301.18228	0.1
305.21289	2.2
306.21649	0.2
307.22842	0.1
317.21283	4.2
318.21524	0.4
328.16113	0.1
333.20596	0.1
335.22339	100.0
336.22675	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	335.2238
Annotation	PGB1
Peak:m/z	Relative Intensity
55.32056	0.4
55.81404	0.4
57.03335	1.2
59.01270	2.2
59.01506	0.4
60.14948	0.4
61.98706	0.5
69.03342	7.2
69.14366	0.4
70.87936	0.4
71.04907	1.9
97.02869	0.5
97.06493	0.9
99.04394	0.9
109.06518	0.6
111.08044	1.1
111.32042	0.4
123.08079	0.7
132.53523	0.4
146.94003	0.4
149.09636	0.8
151.11273	0.4
163.11232	1.5
163.78915	0.5
165.12881	0.7
181.12292	1.4
204.87381	0.5
205.15744	0.5
221.19110	1.9
261.22260	1.3
273.22241	5.0
274.22726	0.5
291.23325	3.6
305.21265	1.3
317.21225	2.6
335.22348	100.0
336.22702	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	335.2235
Annotation	2beta,3beta-Dihydroxy-8(17),13Z-labdadien-15-oic acid
Peak:m/z	Relative Intensity
55.52550	1.2
55.96767	0.9
57.03332	5.0
57.34766	1.1
59.01254	3.2
60.99827	1.0
67.81802	1.0
69.03345	13.6
69.27586	12.4
71.04903	8.6
81.03355	2.6
83.04926	3.6
85.02863	1.6
85.06498	2.8
87.04414	3.7
97.02853	11.7
97.06503	4.1
99.08067	8.0
105.07056	2.1
107.04903	1.3
109.02217	1.8
109.02867	13.6
109.06467	1.4
116.89190	1.1
121.06541	2.2
121.10168	2.0
123.08078	16.3
129.48778	0.9
135.11722	9.4
149.13348	2.6
151.11177	1.9
167.14397	8.6
177.12799	1.7
181.12201	1.2
185.13365	2.8
191.18056	9.9
199.14935	2.2
201.16553	2.5
209.11917	1.6
210.12617	44.9
211.12959	2.3
235.17023	1.3
243.21294	2.8
257.19199	1.2
259.31812	1.0
261.22324	1.6
271.20575	1.3
273.22342	9.0
274.22528	1.8
287.20145	1.3
291.23297	9.1
292.23965	1.4
317.21353	4.8
335.22379	100.0
336.22742	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	335.2236
Annotation	5,6-DiHETE
Peak:m/z	Relative Intensity
51.34920	0.4
53.99058	0.4
57.03329	1.6
59.01271	0.5
59.98407	1.0
67.83562	0.4
69.03345	6.0
70.49670	1.4
70.60777	0.4
71.04907	1.2
83.04916	11.4
86.03745	0.4
97.06507	1.4
98.03695	0.4
98.19955	0.4
99.04427	9.1
104.50646	0.4
105.06984	0.5
107.55053	0.4
111.10916	0.4
123.08071	2.5
125.09674	0.9
130.07413	0.4
147.11749	1.0
149.09637	1.0
165.12820	1.0
167.10750	4.2
167.14331	0.9
193.12299	1.0
211.95697	0.4
219.17459	0.9
251.16528	3.4
256.51907	0.5
259.33536	0.4
273.22363	2.4
317.21359	4.0
335.22363	100.0
336.22696	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	335.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48036	0.3
57.03331	0.5
59.01265	100.0
60.01604	1.2
66.03484	0.3
69.03343	0.3
70.81474	0.3
70.96305	0.9
71.01301	0.5
78.95825	0.8
82.68829	0.3
83.04943	0.4
93.03383	1.1
98.61257	0.3
99.62202	0.4
107.24908	0.3
133.02916	1.4
135.04446	2.9
152.99512	0.6
161.02382	5.0
173.04512	3.9
177.16354	0.3
179.03477	1.7
189.12874	0.4
197.11920	0.5
203.14442	0.8
231.21259	1.3
259.20731	0.3
263.20187	0.7
275.20209	26.9
276.20547	2.1
284.52768	0.4
289.21866	0.6
293.21268	10.0
294.21768	0.9
299.16525	0.6
335.07870	5.9
335.22360	9.8
335.26300	0.6
336.08350	0.9
336.22894	0.9
338.70825	0.3
349.09747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.7
59.01270	1.3
63.83983	0.2
69.03341	5.5
69.48602	0.6
69.49023	1.2
71.01263	0.4
71.04906	0.7
72.52725	0.2
83.04917	0.6
90.78327	0.2
97.06467	0.3
99.04417	5.8
100.04678	0.2
121.06513	0.3
123.08049	0.6
125.09660	1.3
135.04472	0.4
138.65897	0.2
149.13315	0.4
163.11171	0.3
165.12759	0.5
167.10692	1.0
167.14314	0.4
189.12772	0.5
205.15987	0.3
206.12538	0.3
261.22333	1.4
271.20764	0.4
273.22351	1.2
274.22433	0.2
289.21851	0.4
291.23291	0.7
305.21313	1.9
306.21564	0.3
317.21283	3.8
318.21671	0.4
335.22336	100.0
336.22681	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	335.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95290	0.9
59.01264	8.5
59.98406	11.8
69.03343	2.5
71.01263	1.5
71.04912	14.5
83.04890	1.7
85.02829	3.2
97.06477	1.2
98.03648	1.5
107.04967	1.7
109.06504	1.1
110.96519	1.0
121.06506	2.5
123.08083	100.0
124.08421	4.2
149.09727	1.6
163.11282	1.6
170.95731	1.1
189.12842	1.0
191.14404	14.3
192.14804	1.0
207.17459	3.2
217.15979	4.5
221.15518	7.8
223.16924	1.3
273.22415	2.1
289.21844	1.1
291.23401	16.3
292.23666	1.4
292.72653	1.0
305.47348	0.9
335.22357	81.5
336.22589	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	335.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.7
59.01270	0.6
59.98386	0.2
60.27745	0.1
67.01771	0.1
69.03345	6.2
71.04905	0.5
83.04902	0.4
97.02875	0.1
97.06515	0.2
98.19804	0.2
99.04421	6.2
100.04733	0.2
101.02356	0.3
103.15806	0.1
109.06573	0.2
111.04423	0.3
111.08014	0.2
113.02262	0.1
121.06519	0.2
123.08073	0.5
125.09651	1.1
131.08598	0.2
135.04498	0.2
145.02957	0.1
147.08063	0.2
149.09673	0.2
149.13258	0.2
151.11250	0.2
161.02422	0.2
163.11224	0.2
165.12836	0.7
167.10750	0.5
167.14333	0.5
177.12721	0.1
189.12840	0.3
193.15953	0.2
203.14378	0.3
205.15938	0.3
219.17525	0.2
221.19200	0.1
235.17058	5.1
236.17390	0.4
237.14880	0.1
255.17427	0.2
257.19189	0.4
261.22287	1.2
271.20798	0.3
273.22296	1.4
289.21780	0.4
291.23413	1.1
299.16479	0.3
299.20044	0.2
301.18500	0.2
301.21799	1.3
302.22217	0.1
305.21356	1.8
306.21561	0.3
307.22867	0.2
317.21298	3.8
318.21704	0.4
335.22345	100.0
336.22687	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	335.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
59.01245	0.6
59.98399	0.4
69.03342	5.7
70.03687	0.1
71.02069	0.2
71.04898	0.6
71.57779	0.2
81.21683	0.2
83.04905	0.7
85.02834	0.2
91.57713	0.1
95.49494	0.2
99.04415	5.4
101.02319	0.3
105.07003	0.3
108.63384	0.1
111.04451	0.8
111.08061	0.4
121.06528	0.4
123.08063	0.4
125.09642	1.2
149.09676	0.2
150.75407	0.1
163.11166	0.2
165.12747	0.6
167.10770	0.8
167.14386	0.5
169.20137	0.1
177.12773	0.2
189.12846	0.3
203.14394	0.6
205.16037	0.2
221.19214	0.3
226.82483	0.1
235.17052	10.7
236.17441	1.0
237.14990	0.4
239.18105	0.2
239.43823	0.2
255.17633	0.3
257.19089	0.5
261.22321	1.2
271.20789	0.3
273.22308	1.3
274.22736	0.2
285.18521	0.2
287.20291	0.3
289.21765	0.7
291.23459	1.5
292.23312	0.2
301.21744	2.9
302.22067	0.3
305.21228	1.7
307.22653	0.2
310.31723	0.2
317.21265	3.4
318.21631	0.4
335.22336	100.0
336.22678	12.4
356.20642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62824	0.4
57.03334	3.0
59.01256	1.4
59.98411	3.8
60.99186	1.6
62.47677	0.4
63.51278	0.5
69.03339	2.7
69.53924	2.2
69.54346	0.8
70.80280	0.3
71.04906	1.3
78.95811	0.5
79.95567	0.4
81.03351	0.9
83.04919	12.4
85.02824	0.5
85.06474	0.9
91.60692	0.3
97.06502	1.2
99.04425	8.7
107.04899	1.0
111.04419	0.8
121.06515	2.1
123.08084	1.8
125.09634	0.4
133.02864	0.4
135.04427	0.7
137.09723	0.5
147.08072	0.6
147.11752	0.5
149.09669	1.3
149.13283	0.6
161.02405	1.2
163.11227	0.4
165.12820	0.5
167.10716	2.1
167.14369	0.5
169.10197	0.8
173.04504	0.8
175.11221	0.8
179.03552	0.4
187.11238	0.7
187.14873	1.1
193.12349	1.8
199.41769	0.3
201.12851	1.1
203.14407	3.8
205.16006	0.9
219.10257	0.5
219.17493	1.8
239.15736	0.5
239.18114	1.3
243.17549	1.2
251.16512	2.3
255.17613	8.8
256.17935	0.7
257.19159	0.7
259.20642	0.6
261.22211	0.8
271.20673	3.3
273.22284	3.8
274.22754	0.5
289.21838	2.6
290.22049	0.7
291.23352	1.2
299.16718	0.9
317.21323	4.4
335.22348	100.0
336.22687	13.6
336.26706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24079	0.8
57.03325	2.6
58.46297	1.1
58.64537	0.8
59.01265	5.7
59.08050	0.8
59.98401	2.0
66.66779	0.8
69.36463	1.6
69.36791	8.5
78.95784	1.2
83.04900	3.0
92.73732	1.1
93.03333	1.1
95.04918	1.1
99.04339	1.0
101.02361	1.5
102.25869	1.0
107.04904	1.0
111.04436	7.8
112.93761	0.9
121.02887	1.9
121.06512	15.2
123.08055	2.8
133.02820	0.9
135.04413	2.1
173.04459	1.6
173.09711	1.0
189.12859	5.0
203.14458	2.5
205.16048	5.6
217.64781	1.0
235.17073	18.9
236.17465	1.5
256.18304	1.3
257.19186	5.0
268.56543	0.9
271.20697	1.7
273.22302	47.6
274.22595	6.5
289.21912	2.6
291.23422	1.1
299.20038	1.3
317.21289	17.1
318.21512	1.7
335.07938	2.0
335.22345	100.0
336.22748	13.1
337.19482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
57.03334	0.8
58.00482	1.4
59.01267	62.6
60.01593	0.8
61.20564	0.4
69.51764	0.3
69.70044	2.5
71.01272	28.7
72.01613	0.4
72.99209	2.4
73.02840	1.9
83.01279	2.0
85.02853	5.2
87.00784	0.8
89.02341	22.5
93.03365	1.0
95.01274	2.2
99.00820	0.5
101.02352	16.1
107.04985	0.4
109.02850	0.5
112.18533	0.4
113.02358	10.2
113.06001	9.3
113.09568	0.4
119.03426	8.9
131.03418	0.6
135.04460	3.4
143.03436	0.9
149.04575	0.7
155.10725	20.9
156.11078	1.0
161.02388	0.8
161.04497	0.8
166.05141	1.7
173.11807	4.9
179.03468	2.8
179.05553	0.5
191.05580	0.7
210.04065	2.4
289.57080	0.4
307.08972	0.3
335.17194	100.0
336.17526	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	335.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03337	1.1
59.01268	14.9
61.33257	0.4
62.14875	0.4
68.99667	0.4
69.03314	0.4
71.00898	0.7
71.01271	11.2
71.58118	0.5
72.99189	1.2
73.02827	2.7
78.95800	0.6
79.95663	0.5
83.01279	3.0
85.02849	5.0
87.00782	1.9
89.02341	1.7
89.89902	0.4
93.03350	1.9
95.01271	1.0
96.95909	0.8
99.00764	1.7
101.02354	6.9
102.98483	1.0
111.00845	1.1
111.04446	0.5
113.02361	2.5
119.03416	0.6
125.02375	0.5
127.11237	2.2
133.02914	3.4
135.04446	4.3
137.02348	0.6
155.03455	0.6
155.10690	1.7
161.02394	7.8
161.04591	1.5
162.02707	0.5
173.04521	4.2
173.11798	36.3
174.12129	1.7
179.03426	2.8
180.03815	0.4
184.64972	0.4
185.11780	0.5
191.05548	1.0
205.03552	0.6
215.12827	0.6
293.05307	0.5
317.16101	3.4
335.08295	7.8
335.17197	100.0
336.08243	0.7
336.17523	9.4
352.53625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03337	1.1
59.01268	14.9
61.33257	0.4
62.14875	0.4
68.99667	0.4
69.03314	0.4
71.00898	0.7
71.01271	11.2
71.58118	0.5
72.99189	1.2
73.02827	2.7
78.95800	0.6
79.95663	0.5
83.01279	3.0
85.02849	5.0
87.00782	1.9
89.02341	1.7
89.89902	0.4
93.03350	1.9
95.01271	1.0
96.95909	0.8
99.00764	1.7
101.02354	6.9
102.98483	1.0
111.00845	1.1
111.04446	0.5
113.02361	2.5
119.03416	0.6
125.02375	0.5
127.11237	2.2
133.02914	3.4
135.04446	4.3
137.02348	0.6
155.03455	0.6
155.10690	1.7
161.02394	7.8
161.04591	1.5
162.02707	0.5
173.04521	4.2
173.11798	36.3
174.12129	1.7
179.03426	2.8
180.03815	0.4
184.64972	0.4
185.11780	0.5
191.05548	1.0
205.03552	0.6
215.12827	0.6
293.05307	0.5
317.16101	3.4
335.08295	7.8
335.17197	100.0
336.08243	0.7
336.17523	9.4
352.53625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03337	1.1
59.01268	14.9
61.33257	0.4
62.14875	0.4
68.99667	0.4
69.03314	0.4
71.00898	0.7
71.01271	11.2
71.58118	0.5
72.99189	1.2
73.02827	2.7
78.95800	0.6
79.95663	0.5
83.01279	3.0
85.02849	5.0
87.00782	1.9
89.02341	1.7
89.89902	0.4
93.03350	1.9
95.01271	1.0
96.95909	0.8
99.00764	1.7
101.02354	6.9
102.98483	1.0
111.00845	1.1
111.04446	0.5
113.02361	2.5
119.03416	0.6
125.02375	0.5
127.11237	2.2
133.02914	3.4
135.04446	4.3
137.02348	0.6
155.03455	0.6
155.10690	1.7
161.02394	7.8
161.04591	1.5
162.02707	0.5
173.04521	4.2
173.11798	36.3
174.12129	1.7
179.03426	2.8
180.03815	0.4
184.64972	0.4
185.11780	0.5
191.05548	1.0
205.03552	0.6
215.12827	0.6
293.05307	0.5
317.16101	3.4
335.08295	7.8
335.17197	100.0
336.08243	0.7
336.17523	9.4
352.53625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86882	0.5
58.78434	0.5
59.01262	13.2
60.25888	0.5
63.66998	0.5
64.11508	0.5
65.07735	0.5
71.57253	1.0
85.02836	1.9
87.25579	0.6
89.91537	0.5
97.02840	1.1
97.06450	1.2
109.06472	0.9
121.06470	1.2
123.08076	0.8
127.07571	30.7
128.07848	1.4
133.02881	1.4
135.04494	0.6
163.35085	0.5
165.12766	1.7
181.12257	0.9
183.12402	0.8
183.13902	11.2
194.64204	0.6
200.10347	0.5
226.44562	0.6
227.00941	0.5
269.70142	0.6
271.20776	2.6
289.21799	100.0
290.22137	10.4
315.19363	1.1
333.20779	47.3
334.21030	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	335.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01596	1.1
66.68170	0.5
69.61530	3.9
70.94360	0.5
71.01274	2.1
78.54266	0.5
85.02869	0.7
89.02348	0.9
93.03369	0.8
94.06525	1.7
96.95870	0.6
101.02363	1.2
108.02027	0.6
108.04489	1.3
113.02390	1.6
113.05994	49.4
114.06341	1.9
119.03452	0.5
120.04523	1.7
122.02376	0.7
124.07674	0.7
135.04465	1.6
137.06117	0.6
138.05533	0.9
148.04063	0.7
150.05553	1.0
152.01167	0.9
161.04543	1.9
166.05049	10.3
167.05420	0.7
179.03519	1.7
200.90633	0.7
210.04068	10.7
211.04460	0.6
215.12044	0.5
275.11502	1.5
317.11609	0.8
322.97003	0.6
335.08102	1.6
335.12695	3.5
335.17093	1.0
336.13013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2079
Annotation	Hartwrightia acid
Peak:m/z	Relative Intensity
58.89302	0.5
59.01257	0.5
69.53006	4.4
98.20542	0.8
121.87075	0.5
168.59442	0.6
271.20676	1.3
273.18875	0.7
286.85416	0.6
289.21808	91.2
290.22180	8.8
315.19711	3.7
333.20792	100.0
334.21152	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	333.208
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
57.03316	0.4
59.01257	1.4
69.03345	0.7
69.96681	1.6
71.01259	0.5
77.03991	0.3
81.03336	0.6
83.01263	0.4
83.04908	3.5
85.02839	0.5
89.78939	0.3
93.03368	0.4
95.04899	0.4
97.02246	0.6
97.02854	7.3
97.06506	1.5
98.19902	0.5
98.39493	0.3
105.83479	0.3
109.02856	2.4
109.06501	5.9
111.04422	1.1
112.01580	0.4
121.06487	0.5
122.03649	0.5
123.08071	2.0
125.02425	0.7
130.56017	0.4
135.04362	0.4
137.09656	0.4
145.10139	1.1
149.09718	0.5
159.08060	0.4
161.09641	1.0
163.11250	2.4
165.12790	0.9
173.04504	0.4
173.06009	0.8
175.07626	0.8
176.03998	0.4
178.02667	0.3
187.07610	0.8
189.09180	7.2
190.09618	0.5
191.10701	0.5
196.19096	0.3
205.08719	0.5
207.10297	0.4
217.16083	0.4
219.17560	1.4
235.96587	0.3
243.32074	0.4
248.83261	0.4
261.18680	0.4
262.53928	0.3
271.20792	1.3
287.20352	0.9
289.21829	5.7
290.22232	0.4
297.18637	2.5
315.19681	7.5
316.20090	0.8
333.20782	100.0
334.21088	11.0
343.10858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	28.5
59.01247	0.6
67.84923	0.5
69.03339	5.0
70.92249	1.4
83.04923	1.9
91.24375	0.5
95.04948	1.1
97.02796	0.5
97.06483	2.1
98.00027	0.6
98.75448	0.5
107.04938	0.6
109.06503	22.0
111.08069	1.6
117.10080	0.6
121.06499	3.3
123.08092	2.7
126.86877	0.6
137.09673	1.1
147.11707	0.9
149.09692	1.4
151.11256	1.0
153.12848	0.7
161.09711	1.0
163.11250	6.9
179.10773	4.0
181.12193	0.8
194.60657	0.5
203.14349	1.5
205.16006	3.1
219.17535	4.3
231.17566	5.3
245.19135	1.1
259.20831	0.7
261.22424	3.0
271.20709	4.0
272.21075	0.7
273.18814	0.9
287.20337	0.6
289.21811	40.1
290.22144	3.9
305.21310	1.1
333.20782	100.0
334.21146	11.4
347.45184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2078
Annotation	1-(3,3-Dimethyloxiranyl)-7-hydroxy-3,7-dimethyl-3,5,8-nonatrienyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
58.40036	0.5
59.01260	1.8
69.03336	0.7
69.30178	0.5
69.62672	3.5
71.01270	0.8
80.98050	0.5
83.04913	0.9
96.02330	0.5
99.04417	100.0
100.04752	2.3
138.18025	0.5
161.89774	0.5
233.15454	3.5
235.17136	1.7
235.43059	0.5
251.16486	0.8
289.21954	1.1
291.39236	0.7
333.17142	0.9
333.20770	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	333.2079
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
59.01268	0.7
62.91541	0.5
67.69748	0.6
69.88777	3.5
73.02834	0.7
78.86933	0.6
93.63541	0.6
98.20489	0.8
99.04421	100.0
100.04752	2.0
111.04431	1.2
135.67297	0.6
178.47433	0.6
189.12714	0.7
233.15483	41.4
234.15904	2.9
251.16643	1.9
256.38211	0.5
333.17227	0.6
333.20831	8.4
333.24524	1.0
334.21039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.6
59.98410	2.5
64.42427	0.8
67.16299	0.8
71.58144	0.7
83.04877	0.8
85.02837	0.9
92.52492	0.7
98.03637	0.8
99.04417	9.8
109.21676	0.8
147.07912	0.9
178.06841	0.8
186.17912	0.8
271.20700	21.1
272.21060	1.5
289.21799	100.0
290.22137	9.3
315.19809	3.7
333.20776	93.2
334.21103	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	333.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01517	0.5
55.01772	7.0
57.03340	7.4
57.41295	0.2
58.00478	3.0
58.99483	0.6
59.01266	67.5
60.01599	0.8
67.01772	0.4
67.18998	0.3
68.99714	0.5
69.03342	1.1
71.01272	100.0
71.59222	0.4
72.01592	1.9
72.99203	5.1
73.02837	27.6
74.03169	0.4
75.00780	1.5
75.57838	0.2
78.95824	0.7
81.03343	0.6
82.12886	0.3
83.01282	14.0
83.04929	0.4
84.02068	0.6
85.02845	43.4
85.99989	0.7
86.03186	0.9
87.00774	5.3
89.02341	24.6
90.02667	0.5
92.69594	0.3
93.03354	0.5
94.06525	0.9
95.01289	7.5
97.02853	2.4
99.00289	0.3
99.00783	12.5
101.02349	73.2
102.02668	1.4
104.04958	0.7
105.03357	0.5
106.06529	2.1
111.00791	1.8
113.02359	39.2
114.02699	0.9
115.03943	0.5
119.03427	8.9
120.04461	0.8
122.06026	2.6
123.00804	0.3
125.02380	2.4
125.09605	0.7
126.56438	0.3
129.01880	2.4
131.03447	1.2
132.04475	0.9
133.02861	0.3
135.04433	1.5
138.05550	4.3
139.00305	0.3
141.01857	0.4
143.03445	4.8
149.04497	0.7
150.05591	0.4
151.00301	0.4
151.03993	0.5
153.09219	0.3
159.02942	9.5
161.04503	38.2
162.04912	1.3
171.13817	1.8
179.05574	0.9
191.05502	1.4
205.03496	1.1
238.99463	0.3
241.09789	0.4
243.11545	0.5
271.02554	0.3
289.12006	15.7
289.21933	0.3
290.12231	1.4
303.82471	0.3
315.01636	0.3
315.05026	0.4
315.19196	0.3
328.96869	0.3
333.06293	0.6
333.10895	1.5
333.19202	15.5
334.19592	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1714
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
51.09127	0.2
55.48111	0.3
57.03334	0.5
59.01262	2.6
69.44037	1.1
69.44469	1.1
71.01263	0.3
71.04894	0.3
83.01273	0.3
83.04903	0.5
85.02827	0.4
93.03363	0.5
97.02855	0.6
101.02387	0.3
106.04160	0.6
107.04949	0.3
109.02903	0.4
111.00774	0.4
113.02386	0.3
121.02877	1.1
121.06506	2.2
123.08083	0.3
132.02121	0.4
133.02879	17.5
134.03673	6.4
135.04460	8.3
136.04784	0.4
137.02373	6.4
139.03937	1.8
148.05244	2.5
150.03160	0.8
161.02388	40.3
162.02660	1.8
163.11214	0.3
175.07590	0.7
178.02692	1.8
179.03479	4.1
189.09158	0.8
194.02200	0.4
211.84607	0.2
247.09654	0.4
271.20752	0.7
289.21667	2.3
308.07706	0.3
315.16214	0.5
315.19751	1.4
333.17148	100.0
333.20743	9.9
334.17502	10.5
334.21078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	5.2
59.01268	26.1
71.01247	4.2
71.58222	3.8
74.78107	3.1
82.98878	2.8
83.04890	4.3
83.23376	2.9
84.96898	3.0
95.04951	3.4
99.90976	3.4
109.06482	4.0
112.30322	3.3
118.06419	3.0
135.90416	3.2
137.09657	100.0
205.16023	5.3
207.17523	70.0
224.87723	3.3
251.16591	97.7
252.17009	6.4
273.14798	39.1
287.15158	3.2
289.21786	11.9
311.62054	3.1
333.16849	44.8
333.20789	71.0
334.20816	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58167	0.6
57.03336	4.8
58.99469	1.6
59.01267	9.8
69.03326	1.3
69.78892	4.0
71.01284	3.5
71.04892	2.3
72.00778	0.8
73.02856	0.6
74.98982	0.8
78.95781	1.2
85.02849	1.0
87.00772	24.9
87.04402	1.5
88.74022	0.8
91.45313	0.6
96.95895	0.7
98.20530	1.2
101.02378	0.7
102.98505	2.7
125.09631	5.0
129.01895	1.1
130.08672	2.2
131.04956	0.8
134.03697	0.6
135.04504	1.2
139.11211	11.3
155.10704	2.5
161.02423	1.6
167.08929	5.9
185.10014	9.8
186.10318	0.7
191.05586	1.9
201.09451	0.9
202.05078	1.7
203.11095	100.0
204.11400	4.9
227.03517	0.9
234.35822	0.6
271.02530	0.7
273.11746	8.5
274.12021	0.6
291.12805	17.5
292.13245	0.8
313.03387	1.1
314.04178	0.8
315.05286	0.8
333.05988	1.2
333.14081	9.5
333.19952	1.0
334.14545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
57.03342	1.0
57.08394	0.7
59.01265	100.0
60.01600	1.5
61.64215	0.6
65.21402	0.6
71.01273	15.7
71.59103	0.8
72.99209	1.0
73.02837	4.2
75.00780	2.6
78.95797	0.8
83.01295	2.1
83.04936	0.9
85.02844	6.9
86.00005	1.3
87.00790	3.5
89.02348	5.0
95.01284	1.4
96.95934	1.2
97.02885	0.6
99.00797	1.6
101.02350	9.8
102.98505	2.2
113.02370	5.7
119.03429	1.2
125.09723	0.6
127.11233	0.8
129.01826	0.7
129.09157	0.8
133.02875	4.4
135.04497	2.6
137.09691	4.3
153.09189	1.1
155.10724	37.3
156.11113	2.5
159.02963	1.6
161.02374	1.2
161.04504	6.7
169.06589	0.8
171.10236	12.4
176.86807	0.6
177.01894	1.5
179.03423	1.4
181.08661	1.2
199.09747	9.1
201.11353	2.8
203.05389	0.9
203.11108	0.9
212.37318	0.6
217.10823	16.0
218.11200	1.2
252.65979	0.7
270.37524	0.7
273.13498	10.1
274.13943	1.4
291.14563	41.3
292.14862	3.4
307.76559	0.7
328.81522	0.7
333.06104	1.1
333.15659	16.7
333.19293	1.7
334.06830	2.9
334.16080	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65624	0.7
58.99498	4.1
59.01270	7.7
61.01057	4.5
71.01271	2.6
73.01067	3.3
87.00777	5.0
89.02343	1.5
92.27232	0.6
98.20572	2.6
101.02377	1.2
102.98496	4.9
103.02157	3.5
113.02322	1.0
113.09844	0.7
118.50405	0.7
125.89259	0.6
133.02911	0.7
143.05275	1.1
150.39795	0.6
173.10051	1.2
201.39288	0.8
203.11101	100.0
204.11412	5.5
214.65735	0.7
222.98772	0.6
264.55084	0.9
273.11700	5.7
291.12781	12.5
292.13300	1.0
326.77200	0.7
333.13684	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07911	0.2
58.99491	14.4
59.01266	2.7
69.27958	0.9
69.28381	1.8
74.99003	1.4
76.27605	0.3
83.32011	0.2
93.03427	0.3
97.02818	0.4
98.20496	0.6
102.98504	100.0
103.98837	0.9
106.07618	0.3
109.18653	0.3
120.99580	6.9
139.11249	1.4
163.00662	4.9
168.59727	0.3
182.41864	0.3
191.05534	0.5
203.11047	0.5
253.27315	0.3
273.07819	0.5
296.75241	0.3
315.19717	0.3
325.13907	0.3
333.06119	0.6
333.13879	0.3
333.20605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99487	6.9
59.01271	7.4
59.62730	0.4
61.01058	1.7
64.89609	0.4
69.43993	3.6
71.01282	0.5
71.45651	0.4
73.01073	1.2
78.95815	0.8
79.86777	0.4
80.81206	0.4
87.00779	4.5
89.64474	0.4
96.96876	0.5
101.02380	0.5
102.98504	6.8
103.02151	2.7
107.01285	0.7
109.02870	1.0
133.02863	0.8
135.04425	0.4
139.00275	0.5
141.01900	0.5
143.05281	0.6
144.76109	0.4
151.00337	1.5
152.01059	0.5
155.10722	2.9
171.08498	0.4
171.10265	0.5
173.10011	1.6
178.99829	0.7
185.09938	0.5
191.31258	0.4
199.09842	0.5
203.11099	100.0
204.11417	4.7
206.99339	0.5
217.10785	1.2
229.12619	0.4
273.02979	0.7
273.11691	7.1
289.56689	0.4
291.12714	15.6
292.13092	1.2
300.02911	0.5
302.03525	0.8
315.01462	0.6
333.05872	0.7
333.13824	14.8
334.14252	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.2
55.13680	0.4
57.03342	0.5
57.95850	0.4
58.00495	0.4
59.00993	0.7
59.01266	7.7
70.88478	0.7
70.88818	0.7
71.00897	0.8
71.01276	13.6
72.99168	0.5
73.02837	4.2
78.03387	0.6
80.04951	0.6
83.01300	2.0
85.02850	5.9
85.38879	0.4
87.00754	0.8
89.02348	3.1
92.04960	1.7
94.06525	4.0
95.01295	1.1
97.02888	0.5
99.00792	1.4
101.02352	8.4
104.04971	2.7
104.61851	0.4
105.03368	2.6
106.05847	0.9
106.06537	13.4
108.04472	1.4
113.02361	6.1
119.03419	1.6
120.04474	5.4
121.05249	1.2
122.02444	0.6
122.06043	14.2
123.03162	1.8
124.07587	0.5
131.03729	0.5
132.04488	6.6
135.03215	0.6
138.05545	24.6
139.05875	0.6
143.03416	0.6
148.04016	0.7
149.48901	0.4
150.05550	3.6
159.02950	1.7
161.04521	5.9
166.05008	0.7
174.12930	0.6
189.07919	0.6
200.05814	0.6
202.08868	0.5
212.09509	0.4
215.11935	1.6
217.07384	1.3
226.07573	0.7
227.11894	0.5
228.09114	0.5
229.09866	1.0
231.09212	0.7
231.11446	1.6
240.01408	0.4
241.09850	3.1
243.11345	2.1
259.11014	1.2
271.10883	0.9
289.12024	100.0
290.12357	10.0
315.04892	0.7
333.11017	8.7
333.19437	2.1
334.11203	1.1
334.24536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.11
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99783	0.4
59.01264	2.7
71.01271	1.3
78.03367	0.6
78.95795	1.2
80.04951	1.5
80.22198	0.5
83.02754	0.4
85.02873	0.6
87.00761	0.6
92.04973	2.0
93.03362	1.1
94.06533	4.1
95.04913	0.5
96.95913	1.2
96.96902	0.6
98.20586	0.9
101.02357	1.0
104.04993	2.1
105.03357	1.9
106.06540	12.3
108.02089	0.6
108.04469	1.4
113.02383	0.6
119.04972	0.4
120.04478	5.0
121.05240	1.2
122.02377	0.7
122.06045	14.0
123.03170	1.3
123.06394	0.5
131.03673	0.7
132.04495	7.2
133.04860	0.4
134.20906	0.4
135.03191	0.7
136.04008	0.8
138.05553	21.1
139.05835	0.7
148.03986	0.9
150.05542	2.5
152.01100	1.0
152.07144	0.9
152.99466	0.5
159.06766	0.7
165.04036	0.8
166.05028	0.7
173.04507	0.5
173.08429	0.4
174.12871	0.8
188.07077	0.6
189.07924	1.6
191.05615	2.6
197.09726	1.4
202.12404	0.5
203.09427	0.6
213.06644	0.8
215.11816	0.9
217.07487	1.8
217.10861	0.4
229.09848	0.6
231.09004	1.2
231.11258	0.6
237.07675	0.6
239.05923	0.5
241.09705	1.5
243.11462	2.1
259.07187	1.1
267.55069	0.6
271.11011	1.3
289.12030	100.0
290.12418	8.0
333.07126	0.8
333.11023	12.6
333.15414	2.6
333.19278	0.5
334.07898	0.9
334.11469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0623
Annotation	3,5,7,3',4'-Pentahydroxy- 6'-hydroxymethylflavanone
Peak:m/z	Relative Intensity
54.13468	0.6
60.52683	0.6
63.02278	2.6
65.00202	3.4
78.95783	7.3
83.01277	2.3
93.03349	1.9
95.01259	1.3
96.96863	6.1
107.01296	7.7
108.02094	0.6
117.03352	2.2
123.04471	0.7
124.01633	0.9
124.09645	0.6
132.02065	1.3
135.00871	0.7
135.11119	0.6
139.00304	0.6
151.00319	24.7
151.01532	1.3
152.01140	6.4
159.04437	2.5
163.00269	0.9
167.03484	1.3
167.04868	1.2
169.01440	1.4
171.04445	1.4
173.39510	0.7
178.99792	6.8
180.89966	1.3
182.03720	0.6
183.04504	6.4
184.04874	0.6
185.02359	1.1
187.03986	1.1
195.02988	1.0
195.04578	1.1
196.05278	0.8
196.89459	0.9
199.03937	0.7
211.03983	4.0
213.05524	1.5
227.03511	14.9
228.03955	1.3
229.05173	0.9
233.09511	5.6
239.03479	3.2
240.04221	1.6
241.05119	1.2
247.13649	0.6
255.03029	62.2
256.03644	11.2
257.04562	3.6
273.04037	0.8
283.02542	30.2
284.03311	48.6
285.04010	13.6
286.04630	0.7
315.05173	100.0
316.05536	9.2
333.02390	1.4
333.06247	13.1
333.12134	1.4
334.06583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46229	0.1
54.36607	0.1
70.30215	0.5
78.95793	37.7
87.00749	0.2
96.95953	0.7
96.96863	7.5
98.20118	0.3
150.97958	0.4
152.99524	41.9
153.99850	0.6
171.00589	4.2
171.02072	0.2
223.00052	0.4
241.01208	21.4
242.01472	0.8
259.02344	1.1
333.05978	100.0
334.06317	5.1
344.29169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.8
71.57658	0.9
74.08601	0.6
78.95795	94.6
89.02329	1.7
89.37051	0.5
89.39890	0.6
96.96866	18.3
96.97499	0.9
142.19534	0.6
142.91801	0.5
150.98016	1.1
152.99525	75.0
153.99860	1.0
167.90659	0.6
171.00586	11.7
205.06683	0.5
213.04033	0.7
223.00095	1.0
238.65178	0.6
241.01233	38.6
242.01553	0.9
259.02325	3.2
297.11984	1.8
333.06003	100.0
334.06201	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	331.2498
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
58.00483	0.4
59.01265	0.5
65.47319	0.2
65.80443	0.2
71.01270	0.3
73.02853	0.3
74.49665	0.2
75.61333	0.2
89.06361	0.2
95.33643	0.2
97.02846	0.3
97.06490	0.3
119.04964	0.2
124.67177	0.2
125.09616	1.3
127.11212	6.0
128.11554	0.3
137.09569	0.2
139.11185	0.4
140.34752	0.2
143.10748	1.2
145.02847	0.3
151.00339	0.3
155.10713	2.2
157.12274	3.9
158.12578	0.3
169.12276	0.2
169.81093	0.2
171.10199	2.2
185.11711	0.3
187.13374	1.1
187.14861	0.2
187.99876	0.2
191.07077	0.5
201.11296	1.6
205.08676	0.4
255.23196	0.4
273.78491	0.2
277.21848	0.2
285.24286	0.3
295.22842	1.7
311.22391	0.9
313.18127	0.5
313.23920	8.0
314.24304	0.8
329.23413	4.2
330.23706	0.5
331.24963	100.0
332.25314	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	331.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	3.3
64.87078	0.3
70.73888	1.1
71.01270	1.0
75.06934	0.3
78.99894	0.2
85.02847	0.7
89.38408	0.3
93.03356	0.6
97.02854	0.9
97.06509	0.3
98.66738	0.3
99.00777	0.3
101.02364	0.7
109.02866	0.4
113.02351	0.8
116.73665	0.3
119.04938	0.9
121.02840	0.5
123.08081	0.4
124.01488	0.4
124.08434	0.4
127.07552	0.5
133.02838	0.7
135.04401	0.8
145.02887	1.0
147.08110	1.2
151.00290	0.6
161.02380	1.8
161.04506	0.6
161.09642	0.5
163.04024	0.8
177.05460	0.4
178.99802	0.6
179.03439	0.6
181.24277	0.3
189.05579	0.4
191.07106	43.1
192.07402	2.3
205.08694	31.0
206.09161	3.1
207.10239	0.5
221.08173	3.2
242.39413	0.3
243.05002	0.3
269.19162	0.4
271.02527	0.5
287.20303	0.4
299.02014	1.1
313.18158	1.6
331.19214	100.0
332.15707	0.7
332.19562	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	331.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49709	0.3
59.01261	3.8
70.37196	1.5
71.01279	1.8
73.02834	0.4
85.02843	0.5
89.02366	0.9
93.03366	0.6
95.01261	0.5
97.02866	2.4
97.06499	0.7
101.02352	0.9
102.28259	0.4
109.02879	0.5
113.02335	0.9
123.08064	1.5
125.02353	0.4
127.07588	0.7
128.03308	0.3
133.02913	0.5
135.04428	0.5
135.08069	0.4
147.08109	3.0
149.02385	0.4
161.02396	0.5
161.04536	0.8
161.09662	2.0
163.03900	0.7
163.11263	3.9
165.05508	0.4
179.03438	0.5
189.05495	0.5
189.12840	0.5
191.07109	34.6
192.07448	2.1
200.89867	0.3
205.08688	28.2
206.09352	1.9
207.10191	0.4
217.99997	0.4
221.08220	2.3
269.19012	1.1
287.20114	0.5
299.01968	0.5
303.05090	0.4
313.18262	3.1
329.23431	0.5
331.19211	100.0
331.24734	3.2
332.15756	0.9
332.19543	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	331.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48900	0.3
53.93090	0.3
59.01267	1.2
69.43474	2.7
70.95679	0.3
71.01267	0.3
75.54301	0.3
78.17451	0.3
83.86424	0.3
90.37115	0.3
107.04961	0.4
110.40503	0.3
112.83427	0.3
119.04926	0.6
121.06511	0.6
123.08107	0.5
137.02356	0.4
145.02855	0.5
147.08057	1.5
163.03983	0.6
186.75612	0.3
189.05484	0.4
191.07114	53.6
192.07454	3.4
205.08690	39.1
206.09212	3.1
210.03188	0.4
221.08185	4.8
262.03745	0.3
269.18939	0.5
289.20197	0.6
295.98431	0.3
313.18079	0.7
315.29730	0.3
318.69257	0.3
325.58121	0.3
331.19223	100.0
332.19571	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	331.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13551	0.4
57.26419	0.3
57.41579	0.3
58.99473	0.5
59.01265	3.7
61.79175	0.4
62.83239	0.4
71.01305	0.5
71.04901	0.7
71.58031	0.5
75.00766	1.1
79.88614	0.4
85.02848	1.4
97.02855	3.4
97.06509	1.0
102.98499	4.3
109.02851	0.4
113.02356	0.6
121.02811	0.4
123.08073	1.7
126.57683	0.3
127.07565	1.7
133.02859	0.5
147.08101	2.8
152.61713	0.4
161.09642	1.2
163.03972	0.8
163.11227	2.4
191.07106	38.9
192.07489	2.3
205.08691	29.4
206.09151	2.1
207.10165	0.5
221.08177	2.5
245.47235	0.4
269.19214	1.0
287.20285	0.7
294.13959	0.4
313.18228	3.2
331.19196	100.0
331.68729	1.8
332.19550	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	331.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25187	1.6
59.01265	14.8
61.98722	2.2
63.60238	1.6
69.03355	2.2
71.01269	2.2
71.30780	2.3
71.31133	1.6
85.02854	3.4
93.03347	2.6
97.02859	37.5
97.06490	4.1
108.02082	1.5
109.02863	2.8
116.33237	1.5
124.01611	1.7
125.02364	1.7
127.07573	13.7
148.20581	1.5
153.01910	1.9
163.11191	1.7
189.12843	8.2
191.07143	16.1
202.03139	1.4
205.08694	16.9
207.10297	4.3
221.15457	3.1
221.88535	1.5
269.19244	4.7
283.17160	5.2
287.20160	9.5
313.18182	38.3
314.18582	4.0
331.15799	5.1
331.19214	100.0
332.19540	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	331.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43362	0.7
59.01268	10.5
60.85046	0.6
69.03330	1.6
69.40002	5.1
69.40418	1.2
81.03314	1.0
85.02821	1.2
97.02858	50.7
97.06457	2.3
107.04921	0.9
109.02820	2.2
122.03601	2.2
122.49813	0.7
127.07581	19.0
135.08038	1.6
147.08031	1.4
155.92230	0.7
161.09644	1.9
163.11194	1.3
165.05498	2.3
165.09172	1.0
173.09761	0.9
179.10696	1.3
181.12253	1.6
185.38763	0.7
189.12828	17.9
190.13071	0.9
191.07127	9.7
203.14398	4.6
205.08707	17.4
206.09174	1.5
207.10266	7.2
221.15613	1.4
225.11220	0.9
229.15836	0.8
255.17216	0.8
267.17529	0.9
269.19229	9.5
270.19464	1.5
281.15582	1.6
283.17133	9.8
285.18607	1.3
287.20294	4.4
295.17093	2.0
313.18173	95.4
314.18503	10.3
331.19226	100.0
332.19547	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	331.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.2
61.02706	0.2
69.03336	0.2
69.23270	0.9
69.23695	1.2
71.01257	0.5
73.02841	0.2
74.09060	0.2
81.03326	0.2
81.90393	0.2
83.04919	0.8
85.02831	0.2
90.12771	0.2
95.04926	0.3
97.02859	1.5
97.06492	5.2
98.20528	0.3
99.00711	0.2
101.02335	0.3
107.04926	0.5
109.02856	0.8
109.06512	0.3
119.04931	0.5
121.05641	0.2
121.06512	4.3
121.51150	0.2
123.00790	0.2
123.04435	0.2
123.08074	1.8
125.65862	0.2
127.07591	0.3
133.02832	0.2
135.04477	0.2
143.08545	0.2
145.02763	0.3
147.08087	1.6
161.02383	0.3
161.04451	0.2
161.09703	1.3
163.03973	0.6
163.11278	1.8
165.05522	0.2
177.01852	0.2
177.05565	0.2
178.99861	0.3
191.07106	19.1
192.07411	1.2
203.14313	0.4
205.08687	14.5
206.09261	1.2
207.10258	1.0
221.08208	1.1
243.04897	0.3
269.19058	0.6
271.02570	0.4
285.18585	1.3
287.20248	0.3
313.18210	1.7
331.19217	100.0
332.19559	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	331.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
56.44306	0.3
59.01262	4.4
60.59147	0.3
69.29681	1.8
69.30109	1.4
71.01270	6.0
73.02855	1.5
77.13020	0.3
81.03360	0.2
83.01283	0.9
85.02842	2.9
87.00789	0.3
89.02337	1.7
95.01285	0.6
97.02852	0.8
97.06485	0.8
99.00781	1.0
101.02342	4.8
108.02036	0.3
109.02856	0.6
113.02353	2.9
119.03397	0.7
119.04959	0.3
122.17556	0.3
143.03371	0.4
147.08083	0.9
151.00264	0.5
152.01146	0.3
153.01872	0.5
161.04489	2.8
161.09618	0.3
163.03867	0.4
165.05481	0.3
177.05527	0.3
189.05516	0.4
191.07106	44.8
192.06015	0.3
192.07466	1.8
203.14375	0.4
205.08678	30.2
206.09195	2.8
207.10136	0.5
221.08195	3.6
269.19366	0.3
300.09763	0.3
313.18219	2.1
331.19211	100.0
332.19547	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	331.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27286	0.8
51.78557	0.7
55.87627	0.8
57.03319	1.0
59.01268	15.3
64.10532	0.8
66.92260	0.9
68.62753	0.8
69.03339	3.6
70.87408	0.9
70.87755	2.0
71.01248	1.3
80.02592	1.3
85.02831	1.9
97.02856	100.0
97.06483	2.7
98.03185	2.0
109.02850	3.4
124.01596	7.0
127.07580	46.7
128.07918	2.3
157.12311	1.3
163.11258	1.8
165.05540	3.1
165.09149	2.2
181.12302	3.6
189.12837	1.9
189.46175	0.8
191.07130	5.4
205.08745	5.5
207.10266	19.4
208.10603	1.6
221.15506	2.4
225.11392	3.8
226.11743	1.0
269.19159	1.5
287.20218	3.9
313.14468	1.3
313.18176	36.6
314.18607	4.5
331.15887	2.7
331.19223	68.2
332.16058	1.5
332.19580	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	331.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41064	0.3
59.01258	1.4
65.78218	0.3
69.51618	2.2
71.01257	0.8
85.02833	0.6
97.02853	1.3
97.06529	0.4
101.02339	0.4
123.04424	0.7
127.07616	0.6
135.04454	0.3
145.02902	0.5
147.04457	0.8
153.01865	0.3
155.08565	1.1
157.10114	0.3
161.02457	0.4
161.37939	0.3
191.07106	0.4
201.09186	1.8
203.10713	0.4
205.08673	0.5
219.13960	0.5
243.17487	0.8
269.15717	0.3
271.17075	2.9
287.20230	22.0
288.20532	2.2
313.18204	1.2
315.16022	0.4
331.19220	100.0
332.19583	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	331.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84107	0.8
56.30912	0.8
59.01274	4.6
61.69029	0.9
62.03262	0.9
69.03346	1.9
71.18207	0.9
71.18571	1.7
83.52698	0.9
97.02852	34.1
97.06513	1.5
98.03207	1.2
109.02888	1.4
121.02882	0.8
122.03633	1.4
127.06721	1.3
127.07587	13.5
135.92088	0.7
161.09697	1.3
165.05502	1.0
165.09218	1.3
189.12843	11.1
191.07109	3.5
203.14400	2.8
205.08710	10.2
206.08981	1.5
207.10263	5.6
225.11253	1.2
269.19186	7.4
270.19501	0.9
283.17126	9.9
284.17392	1.7
287.20187	3.9
295.17120	1.7
296.17865	0.9
313.18179	91.2
314.18491	15.0
326.50461	0.8
331.19238	100.0
332.19550	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	331.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17810	0.6
59.01265	13.5
69.03340	2.1
71.01255	0.7
85.02855	0.9
97.02853	38.7
97.06468	0.9
98.03211	0.7
109.02854	1.4
110.44446	0.7
122.03654	1.8
123.08103	1.0
127.06638	0.9
127.07568	15.3
128.07870	0.7
135.08127	0.9
147.08131	0.7
158.82576	0.6
161.09700	2.1
165.05457	1.3
165.09196	0.9
169.40195	0.7
179.10692	0.7
181.12279	1.9
189.12813	13.4
191.07124	6.2
203.14384	2.5
205.08690	12.9
207.10277	5.5
221.15543	1.0
229.15909	0.7
230.67931	0.9
243.13908	0.8
269.19202	7.2
270.19635	1.1
281.15637	1.3
283.17081	7.0
287.20236	4.2
295.17270	1.3
313.18173	70.5
314.18564	8.9
331.19232	100.0
332.19543	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27688	0.3
53.32980	0.4
59.01268	6.3
61.11377	0.3
65.98190	0.3
69.03329	1.5
70.88525	1.2
71.01267	0.6
73.89111	0.3
81.03349	0.8
83.04913	1.8
85.02838	1.2
86.52075	0.3
93.07681	0.3
97.02854	26.7
97.06481	1.0
98.03180	0.8
105.07001	0.4
107.04898	0.5
108.02078	0.3
109.02854	1.2
110.03609	0.4
111.04410	1.1
121.06515	0.5
122.03646	0.8
123.04514	0.4
127.07577	10.1
135.08076	0.4
145.02835	0.5
147.08057	0.4
159.08109	0.4
161.09622	1.2
163.11206	0.4
165.05495	1.2
165.09164	0.8
179.10805	0.4
181.12317	0.8
189.12801	8.4
190.13142	0.5
191.07144	4.0
203.14409	1.9
205.08693	7.8
206.09157	0.6
207.10289	3.7
221.08223	0.4
221.15471	1.2
225.11224	0.5
243.13849	0.4
245.15399	0.4
257.19272	0.4
259.20700	1.3
269.19162	4.4
270.19592	0.6
273.08612	0.3
281.15543	0.4
283.17120	4.0
283.86823	0.4
284.17395	0.5
287.20239	5.9
288.20447	0.8
295.17090	0.7
313.18167	46.7
314.18497	4.3
331.19220	100.0
332.15579	0.7
332.19547	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	331.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
71.01265	0.5
71.04890	0.3
71.60564	0.2
73.18939	0.2
85.02850	0.3
89.02308	0.1
97.02839	0.3
97.06501	0.6
101.02343	0.3
107.04942	0.3
109.02866	0.2
113.02339	0.3
121.06496	0.3
123.08074	1.4
142.21216	0.2
145.06517	0.5
146.07309	0.2
147.08096	3.4
148.08423	0.3
159.08180	0.2
161.04578	0.2
161.06020	0.3
161.09666	2.1
163.03964	0.6
163.11238	4.2
164.11632	0.3
189.05571	0.7
191.07109	43.4
192.07442	2.6
205.08690	30.9
205.89600	0.2
206.09155	3.3
207.10207	0.3
218.56064	0.2
221.08215	2.8
222.08530	0.2
259.17065	0.4
269.19135	0.9
270.19589	0.3
285.18811	0.3
287.20203	0.4
313.18170	0.7
331.19214	100.0
331.68506	0.2
332.19559	12.0
353.33444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.1
61.47290	0.3
69.03304	0.3
69.25378	3.3
71.01262	0.7
71.04917	0.6
73.78961	0.3
85.02842	0.5
85.88416	0.2
89.06458	0.3
93.03380	0.5
97.02852	3.7
97.06490	2.9
101.02338	0.5
107.05005	0.3
109.02872	0.5
109.06419	0.4
113.02378	0.4
119.04927	0.5
121.02768	0.4
121.06525	0.5
123.08077	1.3
127.07571	1.5
135.04475	0.5
135.08083	2.0
141.85895	0.3
145.02855	0.5
145.06541	0.5
147.08078	3.1
161.02367	0.6
161.04539	0.3
161.09683	1.5
163.03943	0.4
163.11212	3.5
189.05492	0.5
191.07108	37.4
192.07487	2.0
197.71487	0.3
203.14432	2.5
205.08687	28.8
206.09212	2.2
207.10301	0.4
221.08223	2.1
221.15530	0.6
269.19147	1.2
285.18579	0.5
287.20273	1.1
313.18170	2.6
331.19205	100.0
332.15594	0.6
332.19571	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	331.177
Annotation	Rosiridin
Peak:m/z	Relative Intensity
50.91080	0.5
54.08817	0.5
55.01772	4.7
56.28822	0.5
57.03337	5.2
58.00486	3.9
58.99463	0.5
59.01264	80.2
60.01596	0.7
60.37349	0.6
63.02299	0.8
63.81659	0.5
65.00210	1.8
67.01816	0.5
69.03343	2.0
71.01269	100.0
71.04925	0.6
71.27871	1.4
72.01608	1.9
72.99195	5.3
73.02836	22.6
75.00779	1.3
81.03391	0.7
83.01280	11.9
84.02065	0.6
85.02843	37.8
86.03175	0.9
87.00746	4.0
89.02336	37.7
93.03402	1.5
94.84827	0.5
95.01286	7.2
96.95940	1.1
97.02893	1.7
99.00783	10.9
101.02345	69.6
102.02731	1.6
102.98553	0.9
103.03926	0.7
107.01329	2.3
108.02132	0.7
109.02925	1.1
111.00777	0.7
113.02352	38.4
114.02710	0.9
117.03426	1.3
119.03426	14.8
119.04881	3.4
121.02921	0.9
123.04477	1.4
125.02367	2.7
129.01875	1.4
131.03508	1.9
133.02948	1.8
135.04529	1.9
136.01636	1.0
139.11310	1.7
143.03432	5.6
145.02908	4.9
151.00310	8.0
151.01335	0.6
151.07690	1.1
152.01068	0.8
153.01990	1.6
159.02946	7.5
161.02554	4.6
161.04498	46.4
163.04059	1.9
168.04283	0.8
169.01460	1.1
169.12343	0.9
175.03978	0.5
178.99815	4.6
179.03569	1.6
179.05608	1.5
191.05743	2.0
192.06097	0.8
199.04179	1.8
201.09650	1.0
205.03693	1.8
208.73781	0.6
227.03706	1.1
235.50549	0.5
243.03322	1.5
271.02527	11.0
271.15799	0.7
272.03247	1.3
279.60309	0.6
289.13416	0.7
289.16876	0.7
299.02029	6.0
300.02808	8.2
301.03760	2.4
329.77200	0.6
331.04605	3.6
331.18152	26.0
332.18375	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	331.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91080	0.5
54.08817	0.5
55.01772	4.7
56.28822	0.5
57.03337	5.2
58.00486	3.9
58.99463	0.5
59.01264	80.2
60.01596	0.7
60.37349	0.6
63.02299	0.8
63.81659	0.5
65.00210	1.8
67.01816	0.5
69.03343	2.0
71.01269	100.0
71.04925	0.6
71.27871	1.4
72.01608	1.9
72.99195	5.3
73.02836	22.6
75.00779	1.3
81.03391	0.7
83.01280	11.9
84.02065	0.6
85.02843	37.8
86.03175	0.9
87.00746	4.0
89.02336	37.7
93.03402	1.5
94.84827	0.5
95.01286	7.2
96.95940	1.1
97.02893	1.7
99.00783	10.9
101.02345	69.6
102.02731	1.6
102.98553	0.9
103.03926	0.7
107.01329	2.3
108.02132	0.7
109.02925	1.1
111.00777	0.7
113.02352	38.4
114.02710	0.9
117.03426	1.3
119.03426	14.8
119.04881	3.4
121.02921	0.9
123.04477	1.4
125.02367	2.7
129.01875	1.4
131.03508	1.9
133.02948	1.8
135.04529	1.9
136.01636	1.0
139.11310	1.7
143.03432	5.6
145.02908	4.9
151.00310	8.0
151.01335	0.6
151.07690	1.1
152.01068	0.8
153.01990	1.6
159.02946	7.5
161.02554	4.6
161.04498	46.4
163.04059	1.9
168.04283	0.8
169.01460	1.1
169.12343	0.9
175.03978	0.5
178.99815	4.6
179.03569	1.6
179.05608	1.5
191.05743	2.0
192.06097	0.8
199.04179	1.8
201.09650	1.0
205.03693	1.8
208.73781	0.6
227.03706	1.1
235.50549	0.5
243.03322	1.5
271.02527	11.0
271.15799	0.7
272.03247	1.3
279.60309	0.6
289.13416	0.7
289.16876	0.7
299.02029	6.0
300.02808	8.2
301.03760	2.4
329.77200	0.6
331.04605	3.6
331.18152	26.0
332.18375	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	331.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53427	0.3
53.91875	0.3
55.01770	3.4
57.03344	3.1
58.00481	4.7
59.01265	100.0
60.01613	0.8
63.02280	0.4
65.00222	0.5
69.03349	1.2
71.01271	95.2
72.01624	1.9
72.05970	0.4
72.99197	6.6
73.02838	10.3
75.00772	1.3
81.03376	0.4
83.01283	8.3
84.02057	0.6
85.02845	25.1
86.03165	0.6
87.00771	4.4
89.02339	76.8
90.02691	1.5
92.05164	0.3
93.03337	0.5
95.01286	7.6
95.01896	0.4
97.02847	1.3
97.06522	0.8
99.00786	4.8
101.02349	55.4
102.02703	1.4
107.01323	0.8
109.02889	0.4
109.99999	0.7
111.00767	1.0
113.02358	36.3
114.02688	1.2
117.03379	0.4
119.03423	35.1
120.01156	0.5
120.03712	0.6
123.00811	0.6
123.08092	0.5
125.02357	1.2
129.01855	0.9
131.03424	3.0
132.03737	0.4
133.01369	0.5
135.00742	0.5
139.00293	2.0
143.03433	4.7
149.04472	2.2
151.00311	2.2
159.02933	2.1
161.02380	0.8
161.04504	9.5
163.00296	0.4
164.98181	0.5
165.99031	0.5
166.99777	1.3
169.01411	0.4
169.12306	1.1
178.99834	2.7
179.05565	5.3
183.10193	0.5
194.99284	1.1
205.03506	0.4
206.99301	0.9
209.11737	0.6
210.12169	1.2
213.01802	0.7
213.32748	0.3
243.02919	0.5
243.10555	0.5
244.10905	1.7
259.02554	0.7
273.74594	0.5
287.01889	0.8
303.01669	0.5
331.00974	1.1
331.14172	3.2
331.18201	0.6
332.01517	0.4
332.13739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01522	0.7
55.01774	7.5
57.03334	6.5
58.00475	2.3
59.01265	61.3
60.01591	0.8
63.40005	0.6
68.99712	0.8
69.03333	3.6
70.72752	1.9
71.01271	100.0
72.01598	1.8
72.99203	2.9
73.02835	31.8
75.00773	1.4
78.95812	3.8
83.01278	15.8
84.02060	0.9
85.02843	45.3
86.03180	1.3
87.00771	4.9
89.02341	19.9
95.01293	8.8
96.96852	3.7
97.02839	3.9
99.00786	12.4
99.02656	2.5
101.02346	72.0
102.02715	1.8
111.00790	5.6
113.02361	38.2
114.02698	1.3
119.03425	6.5
119.04939	1.4
125.02393	2.1
129.01900	2.4
129.32730	0.6
131.03416	1.0
141.01926	1.6
143.03445	4.1
145.02948	1.5
147.04433	3.3
151.00336	1.1
154.10654	0.6
159.02946	9.8
159.76425	0.6
161.04507	53.6
162.04912	1.1
163.04001	0.9
178.99786	0.6
179.05582	1.2
201.09505	4.5
202.09892	0.6
205.03609	2.1
233.09584	1.1
271.02710	2.0
299.02103	1.4
300.03064	2.0
308.57242	0.7
331.17917	22.7
332.18283	2.4
345.39560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	6.0
57.03337	5.9
58.00480	2.3
59.01264	40.9
63.02282	1.5
65.00210	2.1
69.52131	5.0
71.01270	100.0
72.01600	1.6
72.99207	3.3
73.02836	31.7
73.03255	1.5
75.00759	2.2
78.25593	0.6
81.03308	0.8
82.33201	0.7
83.01276	12.7
84.02068	0.7
85.02843	41.1
86.03156	0.6
87.00758	6.1
89.02341	14.2
95.01294	9.2
97.02842	3.5
99.00780	13.3
101.02346	58.5
102.02697	1.4
107.01282	3.1
109.02856	1.5
111.00803	1.0
113.02355	37.7
114.49091	0.6
116.26898	0.7
119.03441	5.4
120.99579	3.6
125.02361	3.1
129.01871	1.2
133.02943	1.0
136.01605	2.2
143.03416	4.0
145.02835	0.8
147.00853	1.4
151.00311	9.9
159.02914	9.2
161.04506	39.4
162.04829	1.1
163.00319	0.9
169.01494	1.0
171.04485	1.1
178.99770	6.2
191.07111	5.4
199.03954	1.8
205.03584	1.7
205.08720	5.4
209.11775	1.0
227.03563	2.0
243.03075	3.1
243.10634	1.6
243.75941	0.6
255.02943	0.8
256.03665	1.1
271.02545	13.0
272.03091	2.2
273.03687	0.7
299.02103	8.7
300.02777	11.0
301.03461	2.1
313.18405	1.0
331.04932	4.4
331.12494	5.4
331.18796	14.4
332.18716	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1558
Annotation	epi-Norcembrene
Peak:m/z	Relative Intensity
54.70381	0.4
59.01264	2.6
70.00837	0.9
70.01230	0.8
71.01268	1.3
83.04954	0.6
85.02863	0.7
93.03353	2.2
96.95934	0.5
97.02855	3.3
97.06501	0.6
101.02357	1.2
106.04158	2.1
109.02874	0.8
109.06479	0.5
111.00787	1.4
115.92622	0.4
119.04893	0.4
121.02869	5.1
121.06468	0.5
124.01628	0.5
127.07573	0.9
132.73074	0.4
133.01857	0.7
133.02881	19.5
134.03670	34.7
134.14243	0.4
135.04466	18.7
137.02373	33.7
138.02661	0.8
139.02841	0.6
139.03935	10.8
139.04958	0.8
145.02878	0.5
149.02396	1.0
149.92661	0.4
150.03149	4.0
161.02406	5.0
161.04478	0.5
165.01852	0.9
165.96170	0.4
178.02679	12.3
179.03453	24.6
180.03802	1.0
181.12157	0.4
188.08369	0.8
189.12805	1.0
191.07104	1.8
193.01297	0.5
205.08688	1.4
207.10233	0.6
241.16072	0.4
262.77066	0.4
269.19211	0.7
287.16623	1.5
287.20035	0.7
313.18082	3.4
330.23734	0.5
331.15601	100.0
331.19250	13.8
332.15948	9.0
332.19556	1.3
349.63629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45158	0.7
58.99493	1.5
59.01269	8.1
67.01771	0.8
69.81115	4.3
71.01268	6.2
71.04899	0.8
72.99165	0.8
73.02822	1.4
83.01266	1.6
85.02841	3.3
87.00780	25.7
89.02342	1.4
93.03349	3.4
95.04938	0.8
96.95903	1.0
97.02859	4.0
98.19877	0.9
99.00747	0.9
101.02338	3.2
102.98510	4.0
109.02844	1.1
113.02387	2.8
117.03393	1.0
119.03419	0.7
119.04964	1.5
120.99573	41.1
121.02876	1.9
123.08114	1.0
125.02383	1.6
127.07579	1.6
133.02885	0.8
135.04448	2.3
145.02902	1.5
147.04393	0.8
147.08098	1.2
147.11745	2.0
148.61267	0.7
153.18546	0.7
155.03542	1.0
159.95973	0.7
161.02425	1.1
161.04558	3.4
163.03946	1.7
165.12762	0.9
173.04501	2.6
176.04051	1.1
177.36603	0.7
178.99803	0.8
179.03485	1.0
189.12863	1.0
191.05582	3.7
191.07118	16.4
199.04021	1.1
201.09410	0.9
205.08708	12.7
206.09262	1.7
207.10316	1.4
209.11838	11.8
213.14992	3.3
221.08234	1.6
243.10632	20.4
244.10925	1.3
271.02527	1.9
285.07706	2.5
299.02463	0.8
300.02585	0.9
300.10217	1.0
301.07443	0.8
313.18344	3.8
314.18396	1.1
331.12311	100.0
331.19031	40.7
332.12659	8.5
332.19504	3.2
345.69559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13211	0.7
55.01758	3.3
57.03335	2.1
58.19138	1.0
58.99468	1.4
59.01262	21.4
65.00220	1.5
69.03339	3.4
70.60552	2.3
71.01270	23.8
72.99194	1.2
73.02834	5.9
78.95781	1.3
83.01292	7.5
85.02840	9.8
87.00769	19.4
89.02343	6.3
93.03367	2.5
95.01294	3.3
95.04920	1.5
96.96899	1.8
97.02864	5.8
97.06481	1.8
98.20482	1.0
99.00768	3.0
101.02346	19.2
102.98492	5.2
107.01318	2.8
109.02871	1.1
111.00784	10.0
113.02343	10.0
119.03492	1.4
119.04941	1.0
120.99569	46.7
125.02367	1.5
128.57852	1.0
129.01822	1.0
136.01601	1.1
141.01892	3.3
143.03398	1.9
145.02908	1.2
147.04483	7.0
147.11748	7.3
151.00325	5.1
159.03065	1.1
161.04489	10.4
164.01027	1.0
165.12755	1.5
178.99837	3.9
183.04424	1.0
191.07126	2.0
191.10704	1.0
193.37433	0.8
199.03879	1.1
200.79832	0.8
205.03479	0.9
205.08755	1.5
209.11819	24.5
210.12286	0.9
223.66162	0.9
243.02977	1.1
243.10622	27.5
244.11147	1.2
264.20404	1.2
271.02637	5.8
285.07620	1.0
299.02094	3.4
300.02765	4.1
301.03424	1.7
308.16412	1.0
313.17941	1.3
331.12262	100.0
331.17984	7.9
332.12393	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	331.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.6
57.03322	1.4
58.00500	0.7
58.99481	1.0
59.01265	27.1
61.51383	0.4
63.02278	0.8
65.00204	1.0
69.03346	1.3
71.01272	24.2
71.58488	0.5
72.99184	1.1
73.02834	8.0
75.00774	0.7
77.81819	0.4
78.23335	0.4
78.95789	1.3
81.03367	0.8
83.01282	4.9
84.02024	0.4
85.02844	10.6
86.03743	0.4
87.00774	19.8
87.02216	0.5
87.04397	0.6
89.02340	8.8
90.02715	0.5
93.03345	0.9
95.01307	2.2
96.96844	0.8
97.02856	2.2
97.06474	1.1
99.00783	3.0
101.02351	16.6
102.98505	4.9
107.01289	1.9
109.02897	0.6
111.00793	2.7
111.04385	0.7
113.02354	9.1
113.42598	0.5
117.03358	0.6
119.03411	3.2
119.04953	0.6
120.99573	47.9
123.04421	0.5
125.02361	1.7
127.03928	0.7
135.04425	0.7
136.01593	0.7
141.01857	1.2
143.03426	1.3
145.02864	1.0
145.10257	0.5
147.00749	0.7
147.04463	1.8
147.11734	6.2
149.02415	0.5
151.00313	5.0
151.11160	0.6
152.01016	0.7
153.01888	0.8
155.10762	0.5
159.02995	2.2
159.04163	0.6
161.02405	1.0
161.04498	9.8
163.03911	0.8
165.12784	1.8
168.30945	0.4
169.12230	0.6
171.04459	0.4
178.99771	3.1
179.03433	0.6
179.05566	0.5
183.04689	0.5
187.13466	0.9
191.10802	0.5
199.03908	1.1
201.01917	0.4
201.09624	0.6
209.11823	26.5
210.12109	1.2
225.09628	0.8
227.03485	1.0
229.14421	0.6
243.02957	1.0
243.10622	25.2
244.10931	1.9
253.14552	0.8
255.02946	1.2
270.05325	0.7
271.02545	6.7
272.03098	1.0
285.07816	1.1
299.01993	4.8
300.02859	6.3
300.09921	0.6
301.03412	2.0
303.05148	0.5
313.18262	1.0
331.04471	2.5
331.12265	100.0
331.17972	3.4
332.12564	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	331.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05654	0.8
55.01765	3.5
57.03327	7.4
58.00468	2.7
58.99489	14.1
59.01263	58.2
63.02264	1.4
65.00207	2.2
69.03333	3.5
71.01267	70.6
71.04906	8.8
71.55386	1.3
72.99195	2.8
73.02832	18.5
74.98982	2.5
75.00751	0.9
78.95789	17.8
81.06053	0.7
83.01270	10.3
83.04901	1.4
85.02838	30.6
86.06450	0.9
87.00774	4.3
89.02341	24.2
93.03358	2.7
95.01283	5.7
96.26192	0.8
96.95904	1.5
96.96864	20.0
97.02856	3.6
99.00779	7.9
99.02637	1.0
99.04430	1.7
101.00563	1.6
101.02341	46.6
101.04246	1.2
102.98496	78.5
103.98838	1.7
107.01305	3.8
108.02055	2.0
109.02863	1.3
111.00775	3.7
113.02354	27.4
119.01607	2.9
119.03431	8.1
120.99593	4.7
121.02890	0.9
124.01586	1.6
125.02348	2.5
127.07586	1.7
129.01918	1.1
133.02902	1.1
135.04446	1.8
136.01564	2.3
137.09644	5.4
139.03934	1.5
141.01848	1.4
143.03413	2.1
145.02925	1.1
147.04414	2.2
151.00310	15.1
152.01067	3.2
153.01875	1.2
155.10707	4.4
159.02950	5.7
161.02354	2.8
161.04497	30.8
162.04755	1.2
163.00630	3.9
164.88458	0.9
169.01378	2.4
171.43962	0.9
178.99809	8.5
183.08466	1.6
191.05563	1.5
199.03983	2.2
201.09529	100.0
202.09831	6.0
205.03540	1.8
206.99210	0.9
208.00154	1.0
227.03441	1.9
233.09482	4.3
235.10188	1.0
243.02856	2.1
255.03352	1.4
259.02667	1.2
259.76730	0.8
271.02505	14.4
271.10223	5.0
272.03052	1.7
275.05786	2.2
289.11194	14.9
299.02002	10.1
300.02798	14.5
301.03461	2.9
303.05191	3.9
313.18213	1.7
331.04803	6.8
331.11908	9.5
331.18033	8.3
332.12787	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0468
Annotation	Vaccaxanthone
Peak:m/z	Relative Intensity
55.01774	1.5
55.23719	0.3
57.03329	1.4
58.00496	0.3
59.01264	10.8
63.01973	0.7
63.02282	9.2
65.00208	14.6
69.03343	0.8
70.42420	1.3
71.01269	20.9
72.01646	0.5
72.99210	0.6
73.02837	6.0
81.03336	0.6
83.01274	12.0
85.02842	9.5
87.00786	0.9
89.02342	3.6
91.01801	0.5
93.03368	1.0
95.01280	3.2
96.95890	0.3
97.02856	1.6
99.00787	2.7
101.02345	14.1
101.03016	0.8
107.01295	24.3
107.04929	0.4
108.02146	0.6
109.02864	3.9
111.00795	1.9
113.02351	8.2
115.05457	0.7
117.03389	0.4
119.01297	3.6
119.03391	1.3
121.02870	3.2
123.00809	1.0
123.04472	2.8
124.01601	2.2
125.02364	2.9
129.01894	0.4
133.02882	4.1
135.00827	1.3
135.04451	0.7
136.01598	12.0
139.00273	0.7
139.03934	0.6
143.03392	0.6
143.04971	2.2
145.02856	1.1
146.99858	0.3
147.00824	8.3
147.04462	0.8
148.01595	4.7
149.02367	1.1
149.99556	0.5
151.00307	73.1
151.03769	2.0
152.01044	5.3
153.01880	0.4
155.04950	1.3
157.02950	1.7
159.02925	1.8
159.04407	1.4
161.02492	2.5
161.04498	8.9
161.05858	0.8
163.00298	2.4
163.03983	0.8
164.01126	0.7
165.01857	1.0
167.03467	2.8
169.01381	5.3
171.04448	3.8
173.02380	1.4
175.03935	3.2
177.01860	0.7
178.99820	44.3
179.03314	3.8
180.00214	1.6
182.03685	0.5
183.04468	3.3
185.02383	0.9
187.00343	2.3
187.03935	2.1
189.01929	1.5
189.05518	0.7
191.07076	3.2
193.01361	1.0
195.02982	1.4
198.03217	2.0
199.02139	0.7
199.03984	13.2
200.04478	1.2
201.01912	5.0
203.03485	2.0
205.08687	3.0
207.03008	1.6
209.00833	0.6
211.03905	2.3
212.04608	0.6
213.01947	1.3
214.02652	0.5
215.03459	2.8
216.04311	0.6
217.04961	0.5
219.02953	1.1
221.00964	0.9
221.04422	0.4
222.01730	1.1
226.02763	1.5
227.03485	11.3
228.04074	1.9
229.01534	0.6
229.04955	0.7
231.03011	2.7
237.01926	0.5
239.03551	1.2
242.02249	0.8
243.03018	15.5
244.03474	1.2
245.04565	0.8
249.04173	0.4
254.02046	0.5
255.03029	7.0
256.03738	3.3
257.00818	0.8
257.04520	1.1
271.02530	100.0
272.03131	17.0
273.03909	1.8
287.05725	2.7
299.02039	62.1
300.02783	78.4
301.03473	20.5
302.03922	1.5
303.05157	1.2
331.04660	36.9
331.19186	7.1
332.05045	3.6
332.19336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0466
Annotation	Quercetagetin 4'-methyl ether
Peak:m/z	Relative Intensity
53.75656	0.8
55.01773	2.2
55.11197	0.7
57.03331	3.7
58.00476	2.1
58.96784	0.7
58.99493	12.3
59.01266	63.5
63.02281	3.6
65.00210	9.4
69.03342	1.6
71.01272	54.0
71.04895	2.2
71.59379	1.5
72.99197	2.6
73.02838	7.9
74.98986	1.9
75.12030	0.9
81.03358	1.1
83.01279	12.4
85.02847	15.9
85.06488	0.8
87.00781	2.5
89.02341	41.7
92.99746	1.0
93.03277	0.9
95.01298	8.5
98.03697	0.8
99.00779	3.3
101.02348	32.4
102.98499	100.0
107.01295	15.0
108.01373	1.0
108.02090	12.4
109.02895	1.7
111.00762	1.2
113.02355	21.1
119.03420	18.0
120.99603	3.9
123.00787	3.5
123.04440	8.6
123.08025	1.1
124.01607	8.4
125.02367	6.3
131.03445	1.7
133.02853	0.9
135.00790	1.4
135.04463	0.9
137.02351	1.2
137.09622	0.9
139.00291	2.0
143.03439	2.3
147.04459	0.9
149.04498	1.8
149.99577	0.9
150.03142	1.3
151.00316	44.9
152.01096	21.4
153.01849	2.8
155.10759	4.2
159.02921	1.3
161.02429	2.2
161.04509	9.0
163.00395	13.2
164.01108	1.3
165.05507	1.4
167.03371	1.5
169.01370	2.0
174.03160	1.2
176.01085	1.1
178.99825	16.6
179.05605	2.5
181.01367	1.0
199.03989	2.2
201.01958	0.9
201.09554	11.7
202.02673	1.2
206.99344	12.8
208.00111	14.9
209.00470	0.9
215.03423	1.5
216.04324	2.9
217.04929	1.4
221.04602	1.3
227.03522	1.6
230.02324	1.2
242.02074	1.3
243.02945	3.7
244.03812	2.6
245.04599	4.9
254.02316	1.1
255.03123	2.1
259.02530	13.8
259.06192	3.1
260.03275	5.9
270.01694	0.8
271.02530	6.0
272.03375	4.8
275.05673	24.1
276.05975	2.6
287.05685	8.8
287.12912	0.8
289.11295	1.9
299.02017	3.3
300.02936	4.0
301.03607	0.9
303.05157	59.1
304.05426	5.7
313.03543	1.8
313.18243	1.0
331.04672	27.9
331.08719	1.5
331.12271	2.0
331.18109	1.4
332.04977	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.7
56.10139	0.9
57.03334	3.5
58.00477	3.8
59.01266	65.7
64.78440	0.9
69.03362	1.3
71.01271	72.8
71.57037	1.4
72.99206	5.1
73.02841	7.0
83.01280	5.5
85.02847	18.8
86.02361	8.8
87.00771	2.9
89.02338	55.7
93.03384	2.6
95.01295	5.2
96.95880	0.9
97.06483	1.8
99.00787	3.0
101.02347	42.8
113.02356	28.8
119.03426	27.0
119.04906	1.5
120.01170	27.1
121.02905	1.7
123.00814	0.9
123.61832	0.9
125.02322	2.2
130.08647	3.4
131.03410	1.8
133.02859	1.7
139.00275	1.7
143.03430	3.0
145.02896	2.9
147.11725	9.4
149.04504	1.7
151.00284	1.0
159.02946	2.0
161.02370	1.6
161.04486	10.0
163.03876	1.0
163.92271	0.8
165.12791	3.5
176.03979	1.0
178.68619	0.9
178.99857	1.3
179.05569	3.4
205.03477	1.1
209.11812	41.3
210.12193	2.5
227.49422	1.0
243.10629	75.8
244.10992	5.3
271.31833	1.1
290.01608	1.1
329.57950	1.1
330.13895	100.0
330.20441	3.8
331.14194	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	329.2341
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.24143	0.2
57.03333	0.8
58.00486	1.2
58.00752	0.3
59.01266	13.0
61.40836	0.3
67.95068	0.2
69.03360	0.4
71.01273	0.9
71.51348	0.5
73.02853	0.6
83.04919	0.4
84.02068	0.6
85.02831	0.3
89.02334	0.4
97.02873	0.8
97.06517	0.5
99.08063	1.1
101.02331	0.7
109.02866	0.4
111.04408	0.4
113.09649	0.3
114.79108	0.3
117.03300	0.3
121.02858	0.5
121.06462	0.3
121.10149	0.5
123.08090	1.0
124.01624	0.3
124.18338	0.2
125.02368	0.8
125.09645	4.5
127.11213	8.2
129.09143	0.8
137.09653	0.9
139.11221	6.4
139.49527	0.3
140.11554	0.4
143.10687	0.4
145.02878	1.2
151.11195	0.4
153.09148	0.4
155.10719	3.3
157.12282	0.6
161.02365	0.5
161.04515	0.3
165.09103	1.4
171.10223	35.0
172.10558	1.7
173.09683	0.4
183.10213	1.0
183.13820	0.3
185.11810	1.4
186.12201	0.5
197.11874	0.3
199.09735	1.0
199.13423	0.8
201.11307	21.2
202.11682	1.1
211.13385	1.6
213.11360	0.8
229.14459	1.1
257.19174	2.5
258.19547	0.4
269.21326	0.7
270.21613	0.2
275.20248	1.7
285.15417	0.3
285.18634	6.6
286.19080	0.9
287.22342	3.2
293.21231	2.3
294.21161	0.3
301.14624	0.5
311.22263	2.0
314.00900	0.3
329.14203	2.8
329.17627	21.7
329.23410	100.0
330.14508	0.5
330.18030	2.8
330.23737	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	329.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.9
58.00491	1.1
59.01271	2.0
67.53092	0.2
69.25720	1.3
69.26148	1.0
71.01298	0.5
73.02840	0.6
79.55334	0.2
81.25961	0.2
97.06487	0.5
97.96194	0.2
99.08055	0.5
107.80623	0.2
118.66090	0.2
121.06492	0.2
123.08076	1.4
125.02355	0.2
125.09647	4.7
127.11216	7.0
128.11513	0.3
135.26067	0.2
137.09671	1.0
139.11255	1.2
141.12712	0.2
143.10733	0.3
153.09132	0.3
155.10738	2.4
157.12294	0.6
160.93298	0.2
165.06873	0.2
165.09172	3.1
171.10225	8.7
172.10553	0.4
183.10210	1.1
191.07100	1.1
193.12408	0.2
199.09737	2.1
201.11310	41.2
202.11638	2.1
205.08653	1.0
211.13391	1.6
229.14426	0.8
263.20123	0.5
264.89136	0.2
275.20197	0.9
285.18616	0.2
293.21298	3.2
311.22336	3.5
312.22696	0.3
327.21603	0.2
329.17923	3.7
329.23395	100.0
330.17880	0.5
330.23724	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00873	0.2
50.20993	0.2
50.97402	0.2
57.03330	0.6
63.82620	0.2
69.03333	0.3
69.29023	1.5
69.29439	0.7
70.87679	0.2
71.04895	0.3
83.04916	0.5
85.02847	0.4
97.06468	0.4
98.19751	0.3
99.08060	3.9
125.09652	0.9
127.11205	2.0
129.09138	0.3
139.11234	1.1
139.32373	0.2
145.76633	0.2
155.10706	0.3
155.14273	0.5
165.12816	0.5
167.10759	0.3
167.14372	0.9
171.10220	4.2
183.13876	4.9
185.11845	0.3
190.11382	0.2
193.12317	1.2
201.14925	0.2
209.11856	1.0
211.13390	22.2
212.13773	1.6
229.14467	11.8
230.14789	0.9
293.21255	0.6
311.22391	0.6
323.86383	0.2
329.23395	100.0
330.23746	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	329.1766
Annotation	Triptoquinone B
Peak:m/z	Relative Intensity
57.03342	1.2
57.87130	1.1
59.00998	1.2
59.01266	19.8
59.52995	1.1
61.98710	1.1
63.17398	1.0
71.01274	2.5
71.44453	2.4
71.58826	0.9
80.02531	1.2
86.31377	0.9
97.02843	3.4
123.08070	1.6
124.01582	7.2
125.02373	7.9
131.93474	1.0
134.51057	1.0
134.85526	0.9
136.91472	1.0
192.91516	1.0
205.08710	1.4
227.14624	1.2
253.16068	2.2
255.17542	7.5
285.18726	3.1
298.98581	1.1
299.16592	100.0
300.16934	9.0
301.14545	1.3
329.14249	4.9
329.17630	97.1
329.23865	3.7
330.17905	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	329.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	68.6
69.98831	5.7
69.99239	17.3
71.01276	12.6
78.95787	32.0
80.02573	8.1
89.02353	6.4
96.96854	6.1
108.02094	5.0
113.02332	4.7
117.03367	9.3
119.04971	8.0
121.02845	7.3
124.01590	74.7
125.02362	12.5
133.02876	5.5
135.04422	5.5
145.02885	36.6
147.00792	8.7
151.11223	4.3
152.99527	70.8
161.02383	13.9
168.92880	3.8
171.10304	4.7
183.13977	4.8
192.95804	4.1
199.01991	6.7
199.24475	3.9
211.13338	10.2
227.03331	5.5
229.14476	5.3
270.98959	6.3
279.23361	47.2
285.15268	6.0
285.18674	9.7
293.21304	11.0
298.98361	7.1
301.14444	14.1
314.00763	12.9
329.03015	6.9
329.13986	100.0
329.17633	62.5
329.23294	45.2
330.14374	10.9
330.17932	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	329.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35400	0.3
59.01266	6.1
69.03343	0.8
69.36749	3.9
71.01267	0.6
72.99187	0.4
81.03338	0.8
83.04916	0.5
93.03350	0.5
95.04940	0.5
97.02859	2.7
97.06495	1.8
101.02402	0.5
107.04921	0.6
109.02903	1.1
109.06496	0.6
121.02863	0.6
121.06518	1.2
122.03672	1.5
123.04465	0.8
123.08083	3.8
125.02375	1.1
132.89027	0.5
133.06514	0.6
135.08089	0.8
137.06004	0.9
147.08064	0.7
149.09650	0.6
151.03917	0.5
151.07536	1.0
153.01886	0.4
159.08118	1.0
161.09674	9.1
163.11261	0.5
173.04596	0.5
173.09674	0.6
175.11218	3.9
176.03951	0.5
177.12828	10.2
178.13179	0.7
187.11249	1.9
189.05574	1.0
189.09190	1.9
189.12825	0.9
190.09927	1.1
191.07132	13.3
203.10770	1.0
205.08725	24.4
205.12331	62.6
206.09105	1.3
206.12663	3.8
207.10248	2.7
215.14279	0.5
219.13902	0.7
241.12453	0.7
255.17604	0.7
257.11960	0.4
257.19275	1.0
267.17599	2.4
283.17050	1.0
285.18710	4.9
286.18970	0.8
293.15567	0.5
299.16599	0.7
311.16574	6.2
329.17654	100.0
330.15125	0.4
330.17993	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	329.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00499	0.5
59.01263	5.3
71.01267	0.6
71.04906	0.9
71.57129	0.6
93.03398	0.5
97.02839	0.8
97.06475	0.5
99.08045	1.6
107.04920	1.0
109.06499	0.7
117.03397	0.7
121.02866	1.0
121.06490	0.9
123.08081	45.4
124.08374	1.1
125.09674	0.5
127.11199	1.6
137.09647	0.8
139.11208	3.9
145.02893	2.0
147.08076	1.2
155.10654	0.6
157.12199	0.7
161.02339	0.7
161.09636	2.0
163.03986	0.6
164.48961	0.5
167.10733	0.5
167.14278	0.8
171.10226	9.4
183.13918	0.7
189.05585	0.5
191.07111	36.5
192.07455	2.0
193.12367	0.7
205.08687	32.7
206.09210	2.7
211.13394	7.2
221.06349	0.4
221.08083	2.5
229.14456	3.1
237.37119	0.4
245.11845	0.4
285.18616	1.7
293.21237	0.9
298.98224	0.7
301.14362	0.9
311.22150	0.8
329.14215	6.2
329.17630	100.0
329.23355	40.4
330.14374	1.0
330.17960	9.4
330.23712	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	329.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99483	1.4
59.01266	4.2
68.59123	0.4
68.98919	0.4
69.03332	1.6
69.31865	4.0
71.01266	2.1
71.04919	0.7
97.02852	1.4
98.20590	0.8
99.00778	0.4
99.14088	0.4
101.02316	0.5
102.98508	8.5
107.04938	1.0
109.02879	0.3
110.43150	0.3
112.36916	0.4
115.00286	0.6
121.06538	1.8
123.08083	38.0
124.08401	1.5
125.02367	1.5
146.07358	0.4
147.08109	1.0
149.02451	0.4
161.09712	2.4
162.09955	0.4
163.03915	0.4
163.11227	0.4
174.51839	0.4
177.12793	0.6
185.00815	0.6
187.11256	0.7
191.07117	29.4
192.07449	2.1
195.13925	0.7
205.08693	27.0
206.09094	1.9
207.10208	0.4
213.14955	6.7
214.15390	0.6
221.08206	2.9
241.09824	0.5
245.11932	0.5
258.12769	0.4
265.67386	0.4
267.17474	0.4
285.18692	3.0
311.16666	0.5
329.17648	100.0
330.17984	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	329.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53534	0.9
59.01035	1.1
59.01270	12.5
68.99705	1.2
69.03349	1.6
70.12154	5.6
71.75426	1.2
85.02847	6.7
87.04411	7.2
91.09525	1.0
97.02847	3.5
119.04998	1.7
121.02833	1.2
121.06468	5.2
123.08092	7.0
125.02372	4.5
147.08104	1.2
161.09665	2.9
163.11267	8.3
169.23714	1.1
189.09183	3.6
189.12865	5.2
191.05679	1.0
191.07153	6.9
197.13393	3.9
205.08688	19.9
205.10507	2.1
213.12845	1.5
219.13678	1.2
225.12914	1.4
241.12427	9.1
243.13950	17.8
244.14270	2.4
257.19153	1.9
267.17593	4.2
285.18655	21.4
286.18958	3.2
301.14374	1.7
311.16541	8.4
329.14294	5.1
329.17645	100.0
329.23764	2.8
330.18030	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	329.1766
Annotation	Carnosol
Peak:m/z	Relative Intensity
52.53127	0.3
59.01260	1.4
62.81219	0.3
71.04922	0.7
77.10183	0.3
78.45422	0.3
81.31149	0.3
83.04928	0.4
86.02126	0.3
87.54033	0.3
92.64841	0.3
95.04940	0.3
97.02853	1.1
97.06499	0.4
107.04922	0.8
109.78316	0.3
117.11584	0.3
121.06512	1.4
123.08081	41.7
124.08406	2.3
125.02367	0.7
135.08009	0.3
147.06731	0.3
147.08095	1.2
149.02399	0.3
161.09659	2.0
163.03932	0.4
177.12788	0.4
189.05562	0.9
191.07111	36.0
192.07420	2.0
201.12833	0.4
203.07133	0.5
205.08691	31.9
206.09138	2.4
207.10248	0.4
221.08160	3.3
245.11812	0.6
266.04099	0.3
285.18634	3.1
311.16611	0.6
329.17651	100.0
330.17990	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63906	0.3
56.14675	0.3
56.52796	0.4
59.01266	1.1
71.04906	1.0
74.02380	0.7
83.46176	0.3
89.75376	0.3
93.40652	0.3
95.21555	0.3
97.02862	0.5
97.19859	0.4
103.99117	0.4
106.07806	0.3
107.04937	1.2
109.06561	0.3
121.06507	1.6
123.08084	55.9
124.08392	1.9
125.02375	0.8
125.09608	0.7
135.08197	0.4
147.08167	1.0
161.09662	3.5
163.03902	0.6
177.12862	0.8
189.05579	0.7
191.07117	51.3
192.07497	3.0
201.12909	0.5
203.07249	0.6
205.08702	43.1
206.09155	3.4
207.10303	0.6
221.08173	3.4
222.08513	0.4
243.17558	0.6
245.11830	0.5
285.18668	2.1
329.17661	100.0
330.17999	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	329.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.5
59.01262	3.6
65.03848	0.2
69.03341	0.3
71.01273	0.3
71.04904	1.3
71.56881	0.2
71.57286	0.2
81.03358	0.4
83.01286	0.1
83.04933	0.4
85.02872	0.2
89.02343	0.2
93.33443	0.1
94.56828	0.1
95.04939	0.3
97.02847	1.6
97.06472	0.4
99.08063	0.2
101.02334	0.3
107.04939	1.0
108.02071	0.2
109.02856	0.9
109.06520	0.4
111.04472	0.4
118.43691	0.2
119.08572	0.1
120.99469	0.2
121.02892	0.2
121.06502	1.7
123.08076	39.6
124.08413	1.2
125.09651	0.4
133.02934	0.1
133.10266	0.2
135.04485	0.2
135.08067	0.2
145.02901	0.8
146.07295	0.2
147.00876	0.2
147.08055	0.8
149.09621	0.4
151.03877	0.2
159.08138	0.4
161.02461	0.3
161.05962	0.2
161.09659	2.9
163.03947	0.3
163.11243	0.5
165.05525	0.8
171.10251	0.2
173.09720	0.1
175.07652	0.2
175.11243	0.4
177.09207	0.2
177.12782	1.1
183.11800	0.1
186.10550	0.2
189.05531	0.4
191.07103	30.2
192.07445	1.5
199.11249	0.2
199.14915	0.2
201.12833	0.6
203.07182	1.2
205.08690	26.4
206.09096	1.8
207.10187	0.5
211.13383	1.0
215.14316	0.2
219.13882	0.9
221.08191	3.0
229.14461	0.5
243.13945	0.4
243.17603	0.6
245.11818	0.5
267.17465	0.2
285.18655	2.3
286.19144	0.2
287.16580	0.5
299.02060	0.2
301.14572	0.3
311.16580	0.3
329.17630	100.0
329.23087	3.3
330.14795	0.4
330.17969	10.0
347.18854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82208	0.4
59.01264	11.2
65.03856	0.9
67.01797	0.4
69.03349	2.5
71.01261	1.0
71.59018	0.5
76.64453	0.5
81.03389	0.8
85.02844	12.2
97.02852	100.0
98.03190	2.5
101.02340	0.9
105.07017	0.6
107.04932	1.2
109.02858	4.2
113.02357	0.5
121.02790	0.5
121.06521	0.8
123.04432	1.7
127.53577	0.5
133.10220	0.5
145.02902	0.9
151.03967	0.9
159.08109	0.8
165.05528	31.7
166.05858	1.4
171.10292	0.9
183.11722	0.5
197.13289	0.7
199.14897	1.8
201.12843	4.9
211.13429	1.4
219.13890	12.5
220.14378	1.1
229.14366	0.7
236.10773	0.4
243.13934	1.5
253.96254	0.5
265.16110	0.5
267.17648	0.9
285.15695	0.6
285.18576	3.5
301.14340	0.7
311.16599	41.1
312.16989	3.0
329.14233	4.3
329.17636	86.2
329.23273	6.5
330.14426	0.6
330.18027	7.8
330.23911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79822	0.6
56.38616	0.6
59.01269	12.8
61.19573	0.6
69.03362	1.1
71.01275	1.4
83.04906	1.4
89.34216	0.7
97.02859	2.8
109.02885	4.9
111.04425	0.8
111.43671	0.7
123.08086	2.7
124.01596	0.8
125.02351	4.2
149.06042	0.9
191.07175	2.0
205.08546	1.4
211.13440	1.1
219.13893	1.0
237.86868	0.9
257.18930	0.8
285.18735	4.8
301.14725	1.4
329.14301	4.4
329.17636	100.0
329.23102	3.5
330.14255	0.8
330.17920	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	329.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03088	0.3
57.03333	0.6
59.00992	0.4
59.01262	5.3
65.32430	0.3
71.01254	0.6
71.04903	0.8
71.55620	0.4
85.02807	0.3
93.03336	0.4
96.95899	0.4
97.02858	0.6
101.02328	0.6
106.79025	0.3
107.04928	1.1
108.53152	0.4
109.02866	0.4
109.06461	0.4
121.02839	1.1
121.06501	1.5
123.08073	36.6
124.08386	1.1
125.09666	0.3
145.02879	0.5
147.04495	0.5
147.08061	1.0
159.08067	0.3
161.09641	2.3
163.03929	0.5
163.11263	0.4
165.05498	0.3
167.10562	0.3
169.22197	0.3
175.07452	0.4
175.11124	0.3
177.12756	0.6
189.05560	0.5
191.07098	31.0
192.07495	1.7
192.08986	0.3
192.83441	0.3
203.07109	0.7
205.08679	27.4
206.09155	2.0
221.08162	2.6
225.14925	0.6
227.12880	1.0
230.46469	0.4
243.17528	0.4
269.08206	1.7
269.13757	0.4
270.08823	0.5
271.09756	0.3
285.18649	2.5
299.09314	1.7
314.11746	2.5
318.31531	0.3
329.14157	5.9
329.17621	100.0
330.14304	0.7
330.17935	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	329.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75423	0.4
56.02554	0.4
59.01268	3.3
71.04922	0.7
71.45731	0.7
97.02879	0.7
106.42619	0.4
107.04956	0.9
121.06518	1.3
123.08079	48.5
124.08385	2.0
125.09660	0.7
131.47321	0.4
146.07323	0.4
147.08075	1.2
161.09660	1.9
171.10239	0.4
177.12854	0.4
189.05434	0.4
191.07120	39.6
192.07437	2.4
201.11241	0.6
201.47217	0.4
203.07114	0.5
205.08701	36.3
206.09074	2.6
211.13383	0.7
221.08153	3.5
269.21353	0.6
285.18753	2.0
329.17645	100.0
329.23090	3.3
330.17966	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	329.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75724	0.5
56.21193	0.4
57.03330	0.8
59.00956	0.5
59.01265	9.9
62.22410	0.4
69.03329	0.7
69.78461	1.0
69.78870	2.9
71.01287	1.1
71.04891	0.9
83.04904	0.6
85.02770	0.5
89.02309	0.5
95.04931	0.7
97.02876	1.5
97.06532	0.5
98.19909	0.9
99.08051	2.9
101.02378	0.5
107.04935	0.8
117.03393	0.8
121.02863	0.6
121.06516	1.3
121.10172	0.5
123.08077	40.3
124.01491	0.5
124.08425	1.3
125.02386	0.5
125.09621	1.4
127.11173	2.1
127.53403	0.6
137.09669	0.6
139.11230	4.7
145.02864	2.5
147.08086	1.1
157.12314	0.8
161.02409	1.0
161.09657	2.1
163.03932	0.6
171.10222	10.5
172.10619	1.0
177.12692	0.6
182.31570	0.5
183.13800	2.4
189.05586	0.6
191.07109	34.8
192.07451	1.7
193.12390	0.5
201.11205	0.8
205.08684	32.2
206.09154	2.3
207.10069	0.6
209.11807	0.8
211.13379	13.6
212.13748	1.1
221.08234	3.1
222.08604	0.6
229.14503	5.7
245.11824	0.5
267.05554	0.5
270.98926	1.0
285.15564	0.5
285.18576	2.3
293.21323	0.5
298.98248	0.6
301.14502	1.1
311.22269	1.5
329.02890	1.2
329.14169	7.2
329.17633	100.0
329.23352	63.8
330.14435	0.8
330.17950	9.7
330.23709	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1765
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.18306	0.3
57.03324	0.6
59.00993	0.5
59.01268	6.4
65.61280	0.4
71.01263	0.7
71.04874	0.8
71.05209	0.8
82.96001	0.3
83.04925	0.6
85.02863	0.3
97.02824	0.6
97.06501	0.6
98.74305	0.3
99.08057	0.8
101.02345	0.7
107.04903	1.1
109.02830	0.5
109.06567	0.4
111.08055	0.5
121.06485	1.5
123.08079	38.2
124.08420	1.2
125.02372	0.9
125.09618	1.6
127.11190	0.6
137.05966	0.4
139.11159	0.7
145.02861	0.8
147.08051	1.0
148.44289	0.4
155.08533	0.9
157.10219	0.4
161.09674	2.0
163.04039	0.5
163.11163	0.7
171.10191	1.5
175.11227	0.4
177.12689	0.4
191.07111	33.7
192.07423	1.3
201.09151	1.1
203.07001	0.3
205.08685	27.2
206.09074	1.9
207.10294	0.4
211.13428	2.3
217.12163	0.6
221.08214	2.9
229.14435	1.1
243.17543	0.4
245.11906	0.8
269.15479	0.5
273.14917	0.4
285.18707	3.8
293.21497	0.4
301.14706	0.6
311.22318	1.0
329.07227	1.6
329.14423	4.1
329.17624	100.0
329.23282	15.8
330.17935	8.9
330.23816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99470	0.9
59.01258	3.6
59.78968	0.5
69.03328	2.5
71.01271	28.1
78.89765	0.5
97.02859	0.7
98.19782	1.1
99.00809	0.8
102.79514	0.5
102.98501	4.1
115.00275	7.1
121.06573	0.6
123.07168	0.9
123.08078	16.8
130.24870	0.5
133.01311	1.2
148.23642	0.5
161.09654	1.2
177.12759	0.6
183.13864	11.2
185.00774	0.8
191.07104	14.8
192.07466	1.0
195.13881	9.9
205.08673	13.4
206.09196	0.6
213.14954	100.0
214.15320	6.6
221.08246	0.9
253.03642	0.5
258.76846	0.5
285.18799	1.1
329.17648	51.1
330.18036	3.8
331.44879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13747	0.2
55.01765	0.4
57.03346	0.4
58.00483	0.4
59.01265	3.6
69.03345	0.6
70.84368	0.7
71.01302	0.3
72.99218	0.3
76.22833	0.3
81.03357	0.6
83.04929	0.9
93.94891	0.2
97.02859	2.1
99.08116	0.2
99.71558	0.3
109.02858	2.1
111.04439	0.9
113.24428	0.2
114.32998	0.2
123.08076	4.8
125.02396	1.6
125.09643	2.3
127.11196	3.4
130.71895	0.2
137.09677	0.7
139.11229	2.7
155.08624	0.6
155.10716	1.7
161.09599	0.4
165.09135	0.6
171.10225	17.6
172.10574	0.5
173.09697	1.2
183.10269	0.3
185.11777	0.4
191.07089	3.4
199.09717	0.5
201.09364	0.6
201.11311	11.2
202.11632	0.5
205.08710	2.9
213.11266	0.3
230.07437	0.3
241.15982	0.3
255.17619	0.5
257.19138	8.5
258.19373	1.0
269.15524	0.7
275.20148	0.7
285.18671	26.1
286.19052	2.5
293.21219	1.3
301.14481	0.3
311.22360	1.1
313.14536	1.7
329.17636	100.0
329.23367	48.5
330.17975	9.5
330.23743	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	329.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.5
68.01329	0.9
71.13403	1.0
71.13731	1.8
74.56328	0.9
78.95795	97.0
82.02866	2.0
95.02423	1.5
96.96865	100.0
106.06567	2.3
128.37589	0.9
132.04472	5.6
134.06052	8.3
137.74045	0.9
160.03975	3.6
161.04756	7.5
162.05566	17.1
180.38298	1.2
193.03783	9.5
212.07201	2.0
214.08702	1.3
233.09502	88.8
234.09792	3.5
241.06284	1.4
242.11739	1.1
257.09421	2.7
268.09744	1.2
269.09512	1.1
285.12503	14.5
286.12875	1.0
302.11682	2.1
311.10291	1.6
329.11877	25.6
330.12137	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	329.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.2
69.00813	0.8
70.03043	3.3
72.96506	0.6
78.95795	100.0
90.64400	0.5
95.02402	2.1
96.96864	94.0
103.72964	0.5
105.66479	0.5
108.30910	0.5
207.04160	0.7
233.09497	93.7
234.09866	5.4
261.25879	0.6
302.11679	2.7
329.12775	26.5
330.13132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01267	100.0
60.01611	1.0
64.58384	0.4
69.51844	3.3
71.01269	6.1
72.99223	0.6
73.02834	1.8
83.01309	1.1
85.02840	2.3
87.00787	0.5
89.02358	0.8
93.03381	0.5
93.67365	0.4
97.02908	0.4
97.06496	1.0
98.20666	0.5
99.00760	0.7
101.02356	3.8
102.98502	0.9
108.02065	0.5
113.02374	3.1
115.07600	0.7
116.19086	0.4
119.04971	0.9
119.44509	0.4
121.02861	0.9
135.04550	0.4
143.03423	0.5
145.02896	1.8
159.03000	0.6
161.04504	4.4
163.03995	1.0
167.03435	0.5
191.05630	0.4
241.88409	0.4
269.10391	5.5
301.14618	0.7
329.09927	0.8
329.13788	5.2
330.14606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	0.5
59.01266	100.0
60.01601	1.2
69.79206	3.2
71.01272	4.4
73.02844	1.8
82.06999	0.4
83.01330	0.7
85.02870	2.0
97.02888	1.2
98.19723	0.5
99.00809	0.6
101.02345	3.9
102.98542	0.5
113.02386	2.1
125.02363	3.0
129.07161	0.5
146.20554	0.5
161.04509	3.8
167.03606	0.7
179.86522	0.5
191.05905	0.8
228.58690	0.5
269.10376	5.2
329.13968	1.0
329.23660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08837	0.3
57.85723	0.2
59.01262	6.3
68.99714	0.3
69.03342	4.1
70.59869	1.0
71.01265	0.9
77.05246	0.3
81.03342	0.7
83.01282	0.7
85.02843	0.6
89.02348	0.3
95.01283	1.2
97.02847	19.4
98.03197	0.5
98.06664	0.2
100.45872	0.3
101.02343	0.3
111.00808	0.3
124.01574	0.4
125.02368	100.0
126.02695	3.0
145.02914	0.4
179.03474	0.4
191.03323	0.3
191.05562	0.5
225.83640	0.3
329.14047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48893	0.9
51.81935	1.0
59.01265	100.0
59.54405	0.9
60.01600	1.2
69.11982	0.9
69.29925	10.1
71.01268	6.6
71.56719	0.9
73.02836	1.7
85.02840	2.4
89.49140	0.9
101.02347	5.5
113.02359	2.8
117.25757	0.8
121.23795	0.8
125.02367	1.2
133.05673	1.0
140.29408	0.8
161.04509	3.0
185.11928	1.0
186.44624	0.9
236.82977	1.0
244.94241	1.0
269.10373	5.5
329.13831	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	328.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16010	0.8
50.32554	0.8
54.18126	1.0
55.19862	1.0
59.01270	11.8
64.36304	0.9
71.01260	1.1
71.41480	1.1
71.41821	1.6
84.04443	4.6
97.02867	5.9
100.03941	1.5
100.07580	1.7
102.05518	80.5
103.05858	1.8
122.22378	0.8
123.08064	2.1
124.01566	3.7
125.02367	5.6
125.93593	1.1
128.03468	93.5
129.03815	3.1
140.73500	0.9
146.04539	11.4
165.05460	0.9
181.15962	1.7
186.37886	0.9
191.07121	1.9
198.18658	7.6
199.17029	56.6
200.17361	2.5
205.08699	1.8
231.21564	1.0
238.21783	2.3
240.23373	14.3
241.23561	1.4
266.21454	2.4
284.22415	15.7
285.18765	1.6
310.20377	15.7
311.16785	2.2
311.20566	1.5
328.21384	100.0
329.13986	2.4
329.17639	11.4
329.21762	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	329.0887
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.28933	0.6
59.01263	11.5
64.96852	0.6
68.34000	0.6
68.99699	0.6
69.03335	4.7
70.85864	1.3
70.86217	0.7
71.01257	3.4
81.03370	0.8
83.01276	0.9
85.02843	0.9
87.00763	0.7
89.02348	1.4
91.53667	0.6
95.01270	1.7
97.02856	22.6
97.03481	1.3
101.02337	1.1
105.29166	0.6
108.02079	8.4
121.02860	2.0
123.04428	4.7
125.02370	100.0
126.02715	2.1
133.04996	3.5
149.04546	1.3
150.05519	1.0
152.01103	5.7
167.03458	20.1
168.68431	0.6
181.05014	1.1
191.05409	0.8
195.25047	0.7
205.49541	0.6
293.12543	1.1
329.09009	1.9
329.14096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.9
59.01269	16.5
59.06575	0.9
69.03337	4.4
69.68786	4.2
71.01267	4.0
75.91246	1.0
83.01302	1.9
85.02837	1.0
89.02348	1.1
95.01280	1.2
96.96885	1.1
97.02852	20.7
98.19803	2.0
101.02357	1.3
108.02080	17.5
122.03642	1.6
123.04462	9.0
125.02372	100.0
126.02702	3.7
147.64655	1.0
149.04489	2.2
152.01094	14.4
157.36127	0.9
167.03438	33.2
168.03784	1.3
231.18190	0.9
311.16510	1.0
317.69421	1.0
329.13943	2.9
329.17581	1.4
329.23413	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2908
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
52.90285	0.4
59.01262	1.6
71.01270	0.9
71.06595	0.7
83.04919	0.4
89.02334	0.5
110.90066	0.4
124.01566	2.7
125.02357	0.4
185.00819	0.5
211.13350	0.6
214.71434	0.4
267.10883	0.5
281.28568	3.4
309.28021	0.8
325.27594	1.0
327.15894	1.2
327.29120	100.0
328.29453	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.9
65.83279	0.4
68.85523	0.3
69.81225	1.7
69.81644	1.0
71.01266	0.5
82.17319	0.4
85.71072	0.4
87.87375	0.4
90.87037	0.3
98.08840	0.4
113.02360	0.6
124.01563	1.1
140.50836	0.4
171.10289	0.9
267.23245	0.4
267.26990	1.2
277.05673	0.4
281.28467	1.0
309.27945	0.8
325.27615	0.7
327.29105	100.0
328.29446	11.2
328.33377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.7
58.00477	1.3
59.01265	25.5
63.77596	0.7
71.01233	1.0
71.04922	1.3
71.57439	1.6
73.02809	1.4
77.68112	0.7
83.04890	1.2
85.02845	2.9
87.04420	4.2
92.04937	1.3
92.48692	0.7
97.06496	2.5
101.26379	0.7
107.08548	1.4
122.15108	0.8
123.08065	3.0
125.09624	3.2
127.11184	3.4
137.09660	3.2
139.11235	1.2
141.09132	2.0
155.10692	2.2
162.80972	0.7
165.09152	1.7
171.10226	16.7
176.72305	0.8
177.12740	1.4
183.10213	1.9
183.13866	1.1
188.35370	0.8
191.03477	1.1
193.12408	1.2
197.11748	0.9
201.11310	22.2
202.11624	1.3
209.11812	1.0
211.13394	3.4
221.15515	6.4
229.14415	2.2
239.16544	7.8
240.16888	1.2
249.18570	1.3
251.16580	1.6
253.18024	0.9
265.18188	1.9
285.37082	0.8
291.19730	3.8
309.20636	3.8
327.21826	100.0
328.22202	8.6
335.47003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.0
57.97396	0.3
59.01262	0.6
69.03345	0.9
70.88530	1.0
71.01253	0.5
71.04869	0.3
73.45219	0.3
81.03358	0.3
83.04914	0.9
84.02026	0.5
85.02850	3.9
95.04923	0.7
97.02875	0.6
97.06499	5.0
110.03722	0.4
110.47037	0.3
111.39771	0.3
125.09639	1.4
127.11198	1.8
137.09645	0.4
155.10756	0.8
155.14362	0.9
161.09442	0.4
163.11346	0.3
165.12827	1.0
167.10716	0.5
167.14392	1.2
171.10234	8.2
172.10500	0.6
177.12769	0.6
181.12318	0.5
183.12349	0.6
183.13873	4.9
185.11798	1.5
193.12375	1.6
197.11838	0.6
199.13338	0.5
202.53268	0.4
203.10756	0.9
209.11810	1.7
211.13409	21.8
212.13727	1.5
213.84914	0.3
221.11864	3.8
227.12952	0.4
229.14484	13.7
230.14839	0.6
239.12840	2.3
291.19739	2.8
292.20071	0.3
309.20712	0.9
327.21854	100.0
328.22189	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2185
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03331	2.4
58.00478	1.1
59.01263	4.6
59.49935	0.6
60.89056	0.5
63.61757	0.6
65.22957	0.5
69.03361	1.3
71.01295	1.5
71.04893	0.7
71.28671	1.4
73.02827	1.0
80.02570	1.3
83.04922	0.9
84.02072	5.0
85.02871	0.8
85.06493	0.7
95.04915	0.6
97.06477	1.3
99.08063	4.0
101.02422	0.7
111.08052	1.5
112.71465	0.6
113.09612	2.8
123.08124	1.0
125.09662	5.2
127.11208	2.5
129.09155	1.0
137.09647	5.7
139.11211	1.8
141.09175	1.8
153.09148	0.9
155.10759	4.2
158.79364	0.6
163.11206	0.7
165.09122	0.8
165.12827	1.4
167.10747	1.3
169.12309	1.2
171.10243	24.4
172.10545	1.3
181.12325	1.0
183.10245	4.2
185.11813	10.8
186.12152	0.8
195.10159	0.7
197.11798	7.8
199.13396	1.1
201.11327	10.1
209.11807	3.4
211.13391	1.5
212.33446	0.8
213.11293	2.1
227.12880	3.0
229.14436	0.7
232.97910	0.5
247.20702	1.3
265.21744	1.5
267.11029	0.9
285.20792	2.3
291.19733	4.3
309.20749	3.4
327.21841	100.0
328.22192	11.3
339.33667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2184
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.66911	0.6
57.03339	1.6
58.00489	0.8
59.01265	21.6
60.01593	0.8
69.03351	1.0
71.01267	1.3
71.04909	1.2
73.02825	3.9
83.04920	1.1
85.02850	2.8
85.17053	0.6
93.34665	0.7
97.06492	2.2
98.03625	1.3
99.08047	2.2
111.08057	1.1
112.05196	1.5
113.09584	0.7
115.07549	3.2
125.09659	2.2
127.07579	5.1
127.11195	1.1
127.22822	0.7
129.09138	27.2
130.09457	0.8
139.11200	1.8
141.09145	12.7
141.12778	0.9
155.10718	19.6
161.02467	0.9
165.12834	1.4
171.10237	14.9
172.10580	1.1
185.11812	40.6
186.12164	1.5
193.12514	0.7
197.11823	34.2
198.12177	1.6
201.11310	3.0
209.11816	6.9
210.88219	0.7
211.13376	1.9
224.38220	0.7
227.12906	1.1
229.82625	0.8
247.20779	2.0
258.68674	0.7
267.10873	0.9
273.18802	0.9
291.19751	12.7
292.20065	1.0
309.20779	27.4
310.21127	2.3
310.90042	0.7
327.21838	100.0
328.22165	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	327.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96355	0.5
51.94110	0.5
52.24839	0.6
57.03317	0.8
58.00467	0.9
59.01266	4.8
69.03320	0.6
69.71161	1.1
69.71566	3.1
73.02811	1.9
83.04889	0.8
85.02830	0.8
86.37315	0.5
91.92144	0.6
93.03329	1.0
98.20578	0.7
107.08582	3.4
119.08566	1.1
125.09649	6.0
125.60326	0.6
127.11203	7.0
137.09637	2.1
139.11182	1.1
155.10693	3.1
157.12270	0.7
165.09149	2.6
171.10205	11.0
173.04478	1.1
183.10283	1.3
191.05614	0.6
199.09747	2.2
201.11304	72.2
202.11664	4.4
261.18710	0.7
273.18732	2.4
291.19711	2.1
297.20892	1.6
309.20847	5.4
327.08881	1.8
327.15631	5.0
327.21884	100.0
327.65762	1.0
328.22229	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	327.2183
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03331	8.2
59.01267	20.9
66.66938	2.9
68.00669	2.8
71.01263	9.9
71.57156	2.6
71.57637	3.8
73.02837	4.4
76.68147	2.5
80.02552	8.9
83.04914	10.3
89.02334	5.4
92.60188	2.6
94.00847	2.8
95.04874	3.7
97.06494	7.3
109.06473	3.0
113.09620	12.3
123.08066	10.6
125.09627	16.4
127.11199	14.6
137.09648	10.1
139.11217	10.7
141.12830	3.0
151.11220	6.1
153.09175	5.6
154.15808	3.0
155.10701	25.4
165.12819	6.7
167.10738	7.6
169.12331	3.8
171.10231	64.1
179.10730	4.4
181.12308	6.5
185.11809	36.3
193.12292	3.1
195.10307	3.3
197.11821	4.8
199.13438	3.1
201.11308	46.3
209.11800	8.2
211.13348	7.5
212.10522	3.5
213.11337	22.7
227.12814	15.7
229.14473	5.6
247.20717	6.9
263.20337	7.3
267.11078	5.7
269.04486	2.7
291.19748	20.1
292.19962	3.5
309.20804	18.7
313.37286	3.0
327.12762	6.3
327.16113	8.0
327.21838	100.0
327.25229	5.6
328.22385	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2184
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03324	6.0
59.01263	62.7
61.98712	7.0
69.29637	47.3
69.30050	17.9
71.01271	21.0
76.62421	6.1
80.02580	9.4
82.18356	6.0
83.04916	24.9
85.02882	8.4
89.02353	15.5
97.02872	9.1
97.06521	10.5
98.20683	12.0
101.02363	17.6
102.31435	6.6
109.06496	7.3
110.59603	7.5
123.08030	6.5
125.09645	24.7
127.11203	6.2
133.42096	6.4
137.09647	66.7
139.11206	12.9
155.10689	20.9
161.04547	6.8
163.45335	5.9
165.05534	10.5
165.12880	11.6
167.10724	10.4
171.10229	83.4
183.13889	9.4
193.12344	16.4
197.11818	10.3
209.11867	15.8
211.13406	21.3
247.20822	11.8
267.11050	18.5
267.19922	10.4
285.20715	14.1
291.19772	22.9
303.39645	7.7
309.20700	14.0
327.16119	14.8
327.21841	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	327.2184
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
56.96390	1.4
57.03341	4.3
59.01264	6.0
67.01774	1.7
69.03342	1.9
71.01250	2.3
71.04908	2.0
80.02557	7.2
81.03342	3.1
83.04919	14.6
84.02063	6.1
85.02841	2.2
89.02354	1.7
92.88207	1.5
95.04949	1.6
97.06508	6.0
99.08041	2.8
113.09636	3.2
115.07559	100.0
123.04439	2.4
123.08064	1.5
125.09631	10.3
127.11224	3.8
137.09656	50.2
138.09941	2.5
139.11229	4.8
151.11209	3.3
153.09146	4.6
154.09853	1.5
155.10724	18.1
166.12379	1.3
167.10686	1.5
171.10226	52.4
172.10567	2.1
173.11790	3.9
183.13881	1.6
185.11826	1.4
193.12265	7.0
195.13736	1.9
199.13344	2.2
209.11819	2.8
211.13417	5.7
215.12805	1.9
221.11826	3.2
239.12923	1.9
247.20699	5.0
263.20129	2.7
291.19733	20.1
292.19971	2.3
309.20795	4.3
327.21796	17.9
327.25085	1.8
328.22348	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60822	1.1
59.01258	2.5
66.32719	1.1
66.50914	1.4
69.24244	6.1
69.24670	6.6
73.02852	1.4
80.02541	1.1
81.03345	1.5
83.04930	7.4
84.02042	1.6
86.55302	1.2
127.07531	1.4
129.09126	11.8
132.85410	1.2
133.93384	1.2
135.08151	1.1
141.09117	5.3
155.10744	1.3
163.11232	4.8
165.12769	2.4
171.10207	2.9
185.11794	23.9
185.13414	1.5
186.12285	1.6
197.11792	18.8
198.12166	1.4
209.11812	100.0
210.12190	5.7
227.12891	10.1
262.92453	1.1
291.19769	5.2
309.20776	9.6
327.21838	61.2
328.22131	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	327.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58297	0.8
57.03313	0.9
58.00469	1.0
59.01266	28.6
67.27650	0.8
70.73788	2.4
71.01274	21.9
72.99208	2.8
73.02833	1.5
75.00757	2.4
85.02845	3.7
87.00751	1.7
89.01773	0.8
89.02344	24.5
93.03358	29.2
95.01285	1.2
96.49157	0.8
96.99231	5.2
101.02353	12.5
108.02080	0.9
109.02895	0.9
113.02361	8.6
116.98467	0.7
117.03378	2.5
119.03465	9.1
119.04945	30.7
120.05283	1.3
121.02910	1.0
123.04447	3.3
130.04196	1.2
131.04958	7.4
132.05743	1.5
133.02916	4.8
134.03635	3.0
135.04509	1.2
137.02373	1.3
143.03418	2.0
143.04973	19.1
144.05280	0.9
145.02905	4.0
145.06554	1.3
147.04456	33.9
148.04857	0.9
149.02475	1.1
156.50754	0.8
160.01651	2.0
161.04498	1.6
163.03961	16.0
165.04037	6.4
165.05331	1.4
166.68195	0.8
171.04448	2.6
175.04016	2.1
179.03474	1.3
179.05562	2.2
193.05037	3.2
210.06995	1.0
211.07706	6.7
219.08145	1.0
221.09680	0.9
223.07648	1.3
235.07643	3.6
237.09227	6.6
238.09404	1.1
239.10849	1.6
265.08768	18.5
266.09003	1.9
281.08023	0.8
283.09796	4.2
309.07770	6.0
327.08798	100.0
328.09143	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09394	0.5
59.01266	6.1
71.01275	10.9
73.02836	3.5
76.52436	0.4
83.01275	1.1
85.02844	1.2
87.00775	0.6
88.28738	0.4
89.02342	6.7
89.03866	0.8
93.03345	1.2
94.45718	0.5
101.02353	7.5
107.04980	0.5
107.50293	0.5
107.65652	0.4
114.02172	0.5
117.01850	0.9
117.03366	2.5
119.03402	1.0
121.02902	0.7
131.03410	0.6
132.02113	8.2
133.02870	1.4
133.04985	1.2
134.03671	81.3
134.75327	0.4
135.04153	2.2
149.06035	17.7
150.06404	0.7
151.06053	10.0
152.01161	0.6
160.01614	41.8
161.01962	1.7
175.03972	46.4
176.04330	2.1
178.99907	0.6
179.03465	1.4
191.05586	1.5
192.05913	1.1
193.05046	100.0
194.00453	0.6
194.05368	4.7
199.72203	0.5
209.02751	2.1
223.04356	4.1
239.07518	8.6
239.10991	0.5
240.07877	0.8
281.84058	0.5
327.10999	18.2
327.21921	1.7
328.11450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0883
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01252	1.8
61.98730	0.5
66.17947	0.5
71.06287	1.2
71.06617	0.5
78.97768	0.5
87.00755	0.7
93.03362	23.5
96.99202	5.5
101.02343	0.6
104.85043	0.5
106.04099	0.6
117.03366	2.2
119.04946	39.0
120.05261	1.8
123.04449	2.8
130.04189	1.4
131.04970	5.2
133.02898	5.2
137.02293	0.6
143.04962	20.7
144.05338	1.0
145.02864	3.3
145.06491	1.1
158.03790	0.6
159.04454	0.9
163.03958	28.2
164.04329	1.2
171.04462	2.0
205.79729	0.6
209.09853	0.6
210.06903	0.6
211.07614	7.0
219.08170	0.8
221.09666	1.0
223.07629	1.7
235.07646	4.0
236.08244	0.6
237.09244	6.7
238.09506	0.8
239.10684	1.6
247.07695	1.0
255.02873	0.6
263.07138	1.2
265.08746	19.9
266.09070	1.5
283.09857	7.5
291.09000	1.0
309.07767	5.1
310.08176	0.7
327.08810	100.0
328.09100	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	326.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	7.2
64.28805	0.7
70.77438	1.9
70.77811	1.7
107.03546	3.0
118.58240	0.8
124.19479	0.9
134.04657	100.0
135.05014	1.5
146.02402	0.9
200.90053	1.0
266.08990	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	327.0883
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01268	4.5
69.36252	1.6
69.36665	4.0
71.01282	2.0
73.02837	1.5
93.03360	25.8
94.03678	0.9
96.99222	5.1
100.94866	0.5
101.02351	1.5
107.62544	0.7
113.02303	0.8
117.03400	2.5
119.04946	23.7
120.05271	0.8
123.04441	4.1
130.04221	0.9
131.04941	7.0
131.83905	0.7
133.02884	5.5
143.04973	18.6
144.05298	1.3
145.02922	3.7
145.06583	1.1
147.04446	0.5
159.04491	0.6
162.36160	0.5
163.03963	9.4
171.04443	2.6
194.64488	0.6
209.22777	0.5
211.07591	5.8
219.08107	0.8
221.09740	1.3
223.07632	1.1
226.38194	0.5
235.07625	4.9
237.09203	6.4
239.10771	0.7
247.07983	0.9
263.07153	0.9
265.08765	16.4
266.09027	0.9
283.09735	1.4
284.75528	0.6
309.07834	5.3
327.08817	100.0
328.09158	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	327.0883
Annotation	Kaempferol 3,5,7-trimethyl ether
Peak:m/z	Relative Intensity
69.55705	7.4
71.01231	0.9
92.60858	0.9
93.03363	59.9
94.03706	2.0
96.99223	12.5
117.03402	5.4
119.04950	55.6
120.05289	2.7
121.02872	1.5
123.04489	4.8
130.04166	3.2
131.04971	13.1
132.05728	1.1
133.02890	12.8
137.02362	1.4
143.04968	44.2
144.05376	2.2
145.02910	7.9
145.06561	2.4
147.04463	0.9
159.04427	1.9
163.03975	31.6
164.04329	2.3
171.04462	6.3
207.32697	1.0
210.06819	1.0
211.07668	13.1
212.07968	1.7
219.08165	2.0
221.09724	3.7
222.06953	1.9
223.07669	4.5
235.07619	8.4
236.07997	1.2
237.09229	13.4
238.09427	1.2
239.10793	1.8
264.08035	1.2
265.08771	36.3
266.09186	2.4
283.10013	3.0
309.07776	9.7
310.08246	1.4
327.08829	100.0
328.09097	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89853	0.4
59.01258	6.1
63.53337	0.6
69.68858	3.6
71.01255	0.8
73.11958	0.5
79.95646	1.5
90.68023	0.5
99.04399	1.3
101.02331	1.4
119.04961	0.7
134.04648	2.1
141.12779	9.4
149.09679	4.8
152.32063	0.5
163.11223	4.8
164.11537	0.9
165.97206	0.6
170.00371	0.7
183.01169	40.8
184.01939	8.0
197.02757	2.1
208.53716	0.6
216.00925	4.4
217.01312	0.8
225.05872	0.7
225.18764	0.7
230.64439	0.5
250.62517	0.6
279.27036	4.3
325.18478	100.0
325.21350	4.7
325.27408	30.1
326.18814	14.1
326.22159	0.7
326.27695	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	325.2756
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
57.03333	0.5
59.01264	5.1
62.33743	0.4
64.06289	0.5
71.01301	0.7
71.57351	0.7
79.95598	0.9
101.02367	0.8
119.04951	1.2
125.57001	0.6
134.04651	1.2
134.64507	0.5
170.00420	1.0
171.10129	0.7
183.01180	44.7
184.01880	6.5
197.02718	1.7
216.00967	3.0
230.02504	0.7
249.22252	7.6
250.22545	0.8
279.27069	1.2
293.21243	6.1
294.21686	0.7
307.26486	0.9
325.18500	100.0
325.23456	2.9
325.24380	2.9
325.27472	69.2
326.18796	13.5
326.24185	0.9
326.27802	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	325.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89853	0.4
59.01258	6.1
63.53337	0.6
69.68858	3.6
71.01255	0.8
73.11958	0.5
79.95646	1.5
90.68023	0.5
99.04399	1.3
101.02331	1.4
119.04961	0.7
134.04648	2.1
141.12779	9.4
149.09679	4.8
152.32063	0.5
163.11223	4.8
164.11537	0.9
165.97206	0.6
170.00371	0.7
183.01169	40.8
184.01939	8.0
197.02757	2.1
208.53716	0.6
216.00925	4.4
217.01312	0.8
225.05872	0.7
225.18764	0.7
230.64439	0.5
250.62517	0.6
279.27036	4.3
325.18478	100.0
325.21350	4.7
325.27408	30.1
326.18814	14.1
326.22159	0.7
326.27695	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	325.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76694	0.7
59.01265	12.6
62.40749	0.8
71.01247	1.2
71.56931	1.2
71.57293	0.9
79.95644	2.2
80.02590	1.0
97.06480	1.0
108.26861	0.8
119.04956	1.2
119.28616	1.0
121.10161	1.8
123.08075	1.3
124.01576	0.9
125.02333	0.9
134.04645	2.7
139.11220	3.2
151.11224	4.0
155.10715	1.0
161.04500	1.0
170.00377	1.7
171.10234	14.4
177.12810	2.5
183.01195	43.0
183.10268	6.7
184.01653	1.5
197.02773	9.8
198.03519	1.4
201.95488	0.8
203.49068	0.8
209.11713	1.3
209.80009	0.8
213.38403	0.9
265.12772	1.3
275.20239	5.1
281.15643	1.3
282.97827	1.0
293.21384	2.7
307.19357	2.2
307.22870	9.1
308.23141	1.0
325.14792	5.5
325.18497	100.0
325.23898	52.5
326.18768	11.6
326.24390	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	325.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.4
58.81823	0.6
59.01263	6.9
69.92611	3.5
71.01269	0.9
79.95607	1.3
80.02559	0.5
83.04929	0.8
95.04967	1.1
97.06498	1.2
109.06512	1.0
111.08048	0.8
113.09619	1.5
119.04938	1.5
121.10167	3.4
123.08117	1.3
125.09613	1.7
127.11201	1.8
134.04646	1.0
135.87569	0.6
137.09636	2.7
139.11227	34.5
140.11523	0.7
149.09633	1.5
151.11230	4.3
153.09169	1.5
153.12820	0.9
155.10735	1.4
158.88649	0.6
159.11690	0.6
167.10692	2.0
170.00345	2.1
171.10220	26.8
172.10588	1.0
177.12833	8.4
179.14276	0.8
183.01186	40.0
183.10225	2.3
184.01495	2.0
197.02748	8.8
205.24956	0.5
211.04161	0.8
231.21281	0.7
239.07626	0.7
243.19630	0.7
249.22232	0.7
270.71277	0.6
275.20245	7.4
293.21301	13.0
307.19373	1.0
307.22873	18.0
308.23123	2.0
325.18466	82.9
325.23883	100.0
326.18799	9.5
326.24191	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2178
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01258	7.7
69.60783	7.9
71.01247	1.4
81.40926	0.9
84.86440	1.0
85.02845	1.0
94.55374	1.0
97.21529	1.3
98.19818	1.5
104.32092	1.1
149.09654	89.9
150.10010	3.9
163.11232	100.0
164.11534	6.4
167.59546	1.1
183.01172	19.2
184.01888	1.6
193.07079	1.3
216.00937	1.3
229.20894	1.0
325.18372	30.7
325.21777	97.6
325.27716	3.0
326.18729	4.0
326.22125	10.4
343.95139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10680	1.2
57.03323	5.2
58.08305	1.3
59.01267	31.2
69.03333	4.1
71.01273	5.2
71.04911	5.5
71.57492	1.6
73.02829	2.7
80.02525	2.2
81.03378	1.9
82.13642	1.3
83.04896	4.5
85.02824	1.5
85.06473	3.1
86.26278	1.6
87.04412	1.6
93.03349	2.4
93.53833	1.3
95.04890	1.5
97.02859	3.9
97.06489	3.6
101.02350	1.4
109.05817	1.8
109.06508	24.1
113.06041	1.6
119.04893	1.3
123.08047	3.3
125.06000	1.6
127.07569	2.2
129.50594	1.3
134.04645	1.9
137.09683	1.7
146.64417	1.4
151.11205	3.0
153.09192	1.6
167.10715	2.6
169.12279	7.3
171.10234	4.0
181.12305	4.3
183.01173	3.1
183.13913	1.9
185.11813	3.4
187.09711	3.9
193.07130	2.5
193.12326	3.3
197.11803	45.3
198.12096	2.8
199.13376	3.8
201.11287	2.4
209.11812	4.8
211.13388	21.0
213.11165	1.4
223.13367	3.7
227.12929	2.1
235.13438	4.4
237.14970	4.6
239.13171	1.6
249.15001	3.4
258.30713	1.4
283.19196	3.2
289.18207	4.3
307.19180	5.5
325.14682	5.4
325.20267	100.0
326.15030	1.7
326.20557	8.1
347.73334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14857	1.1
55.37877	1.1
57.03337	11.0
59.01262	28.4
68.13860	1.1
69.03331	4.8
71.01269	4.3
71.04901	6.4
73.02826	1.9
80.02566	3.0
82.04819	1.2
83.04904	5.0
84.02032	2.2
85.02836	3.3
85.06479	2.6
87.04404	3.5
92.43041	1.1
92.83076	1.4
95.04896	2.5
97.02851	2.6
97.06490	5.8
99.00809	1.2
99.08025	1.5
101.02364	1.5
107.04913	2.2
109.06498	22.8
109.07201	2.5
111.04483	1.6
111.08064	10.2
117.81842	1.2
123.08054	5.1
125.06030	2.0
125.09650	10.8
127.07549	2.3
127.11182	5.4
130.08659	5.4
131.09036	2.2
133.02948	1.6
135.04427	1.4
135.08080	1.8
137.09633	5.3
139.11205	1.9
148.05298	1.2
149.09647	1.3
151.11198	4.6
153.09122	2.8
153.12735	1.5
155.10718	4.1
155.88467	1.4
161.02403	2.2
163.07399	1.3
163.11227	1.8
165.09099	1.7
165.12682	1.7
167.10696	4.7
169.12291	5.1
171.10202	11.8
179.10754	1.6
181.12268	4.1
183.13858	2.1
185.11755	2.5
193.12299	2.8
193.16132	1.4
195.10306	2.2
195.13889	1.6
197.11804	33.2
198.12166	2.8
199.09772	1.6
199.13321	5.3
201.11290	48.3
202.11694	2.2
209.11800	3.3
211.09752	2.0
211.13377	24.6
213.11302	20.5
214.11575	1.8
219.13869	2.4
222.48508	1.1
223.13425	2.7
227.12920	4.1
233.15224	1.5
235.13396	5.0
237.14983	42.2
245.19122	5.0
249.14951	2.9
271.17175	1.3
281.17764	2.0
287.16821	1.5
289.18161	33.6
290.18497	3.2
307.19186	24.9
308.19391	2.3
310.92197	1.2
325.20233	100.0
326.20691	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	325.2027
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.97802	0.6
57.03336	1.0
59.01265	7.3
61.98746	0.5
69.29136	1.0
69.29542	5.3
70.49818	0.5
71.01249	0.9
71.07980	0.6
73.02811	0.9
80.02577	1.6
81.03351	2.2
83.04919	7.3
84.02055	1.5
95.04932	1.6
97.02855	1.0
97.06485	4.5
99.08057	0.7
101.02350	0.8
109.06513	0.7
112.05209	0.6
115.07568	7.4
120.66512	0.5
121.02897	0.6
122.03679	0.8
123.08076	1.2
125.05997	0.9
125.09624	2.8
127.07584	1.1
127.11249	1.0
129.09167	0.6
133.05150	0.5
134.06050	0.9
135.04521	0.8
135.08083	1.2
137.09648	1.7
139.11212	0.9
142.02643	0.6
143.07076	5.8
150.75049	0.5
155.10735	8.1
161.04567	0.7
163.11235	6.9
165.12791	3.4
171.10263	1.0
177.20386	0.7
178.09970	5.5
179.10626	0.6
181.12286	3.5
185.11795	1.4
186.97855	0.8
191.10762	1.9
197.11903	1.0
207.10246	6.0
209.11830	89.4
210.12154	4.5
225.11317	7.9
227.12978	1.1
236.10539	1.2
245.19156	1.2
263.20126	0.9
265.18100	0.8
279.19760	1.3
281.21393	0.9
289.18222	3.9
307.19223	100.0
308.19574	7.5
325.20361	13.1
325.24054	1.4
326.20740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91696	1.4
57.03321	6.2
57.76772	1.4
59.01271	22.5
65.03835	1.8
67.01762	1.8
69.03322	3.1
69.79950	1.4
71.01269	2.3
71.04901	7.1
71.53530	3.4
74.08259	1.5
74.24291	1.5
77.00269	1.5
79.05417	2.3
81.03349	3.1
83.04904	8.4
85.02817	3.6
85.06474	3.0
95.04930	4.6
96.95916	7.3
97.02842	3.4
97.06487	10.3
101.02393	1.7
106.04139	2.2
109.06505	4.6
111.04419	6.8
115.07569	2.2
119.04991	2.0
121.06472	2.6
123.04379	2.4
123.08095	5.6
124.05241	2.0
125.09632	5.3
131.23369	1.6
135.08066	6.7
137.09644	1.8
153.09227	7.8
155.10628	1.8
163.11246	3.7
167.10718	1.6
171.10226	29.3
181.12381	2.6
185.11815	4.7
193.07053	2.6
193.12314	5.0
195.13914	2.8
197.11827	2.4
205.15834	1.7
207.10181	1.7
209.11826	28.4
211.13419	8.4
221.11656	2.1
223.13400	2.4
225.11391	2.4
227.12859	5.8
235.13397	2.9
237.15057	3.6
239.12880	1.7
245.19131	3.1
249.15013	11.9
253.62852	1.6
263.14725	2.0
267.16101	2.5
289.18240	13.6
307.19241	12.9
308.19531	2.1
325.16959	8.8
325.20273	100.0
326.20694	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	325.2028
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03327	3.6
58.00480	2.3
59.00999	1.8
59.01267	26.9
61.94279	1.4
65.03828	3.7
69.03338	3.7
71.01268	11.6
71.04906	4.5
71.57426	1.8
71.57793	1.6
73.02843	3.1
75.60109	1.2
80.02526	1.6
81.03324	1.7
83.04896	2.8
84.02042	1.9
85.02848	2.8
89.02375	1.3
93.03379	1.8
95.04945	1.9
96.14977	1.4
97.02863	1.6
97.06509	6.8
99.04403	1.5
101.02340	1.3
101.80708	1.1
109.02903	1.4
109.06480	4.8
111.08070	33.0
119.04934	3.0
121.06511	4.4
123.08065	10.7
125.09636	11.9
127.07581	2.1
127.11211	7.2
133.02870	4.2
133.06648	1.4
134.03186	1.4
134.04636	2.0
135.04445	3.9
135.08119	6.3
137.09618	3.5
139.11215	2.4
141.09135	1.4
141.12773	1.7
149.09628	1.8
151.11224	3.0
153.09218	6.9
155.10727	9.6
161.02414	2.5
161.04472	2.0
163.11206	2.8
165.09158	2.0
167.10674	7.0
169.12260	4.9
171.10228	53.8
173.04518	1.9
179.03452	2.7
183.10248	6.6
185.11803	41.2
186.12154	1.6
191.14433	1.8
193.07227	1.9
195.10236	3.3
197.11824	25.0
199.13504	2.6
201.11319	49.8
202.11636	2.7
207.10188	1.4
209.11794	7.8
211.13411	2.0
213.11288	14.2
215.12898	2.1
227.12894	8.3
235.13402	2.0
245.19113	5.2
265.12848	1.3
289.18164	12.1
307.19223	15.0
308.19315	1.5
325.20264	100.0
326.20477	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	325.2027
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.76839	6.0
56.78942	5.0
57.03335	16.0
57.27989	5.2
59.01271	98.9
67.01766	8.7
69.03338	18.0
69.59961	42.8
70.80318	4.8
71.01270	12.0
71.04913	27.8
73.02824	7.3
74.81590	4.7
80.02558	5.9
81.03378	7.5
83.01283	17.8
83.04924	20.6
84.02054	7.1
85.02843	6.6
87.50909	5.1
95.04939	17.9
97.02841	11.3
97.06493	31.9
97.87914	5.2
98.04205	5.3
101.02343	14.7
109.02859	5.9
109.06499	9.3
117.80566	5.7
121.02902	7.8
123.04445	15.1
123.08073	16.9
125.09640	100.0
134.04668	12.2
135.04482	6.4
135.08043	9.5
137.06050	7.4
137.09633	46.2
141.12787	6.9
142.02631	10.3
145.81903	6.1
149.06038	11.4
153.09155	10.2
155.10745	14.4
163.11224	17.5
165.12825	13.1
167.10748	31.2
171.10199	14.3
177.12982	6.8
179.10655	9.1
183.01175	6.2
183.13863	13.7
185.11769	31.1
191.10684	10.4
191.14424	13.3
193.07158	13.9
207.10249	21.6
209.11845	48.5
211.13359	11.2
221.11932	6.5
225.11314	12.8
245.19089	15.2
260.19986	5.3
281.21805	9.3
281.24841	49.8
282.24545	5.5
288.51297	5.4
289.18109	18.8
293.21030	6.6
307.19211	90.2
308.19763	7.0
313.50537	5.4
325.14694	7.6
325.20157	35.2
325.23904	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2026
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
56.15835	0.5
57.03332	1.2
59.00991	0.8
59.01265	10.4
59.83896	0.5
69.03349	0.5
71.01267	2.0
71.04904	0.7
71.57710	1.0
73.02841	1.6
80.02549	1.5
81.03353	2.1
82.82714	0.6
83.04917	5.9
84.02057	1.2
85.02832	0.8
92.56227	0.5
93.03304	0.6
95.04936	1.0
97.02834	0.8
97.06484	2.1
98.19755	0.5
99.08091	0.7
101.02351	1.5
109.06495	0.9
113.02354	0.6
115.07564	7.6
119.04938	0.7
120.37821	0.5
121.02909	0.9
125.05978	0.9
125.09597	2.7
127.07536	0.7
127.11205	1.3
129.09175	0.9
133.02931	0.6
134.04663	1.7
135.04407	1.1
135.08064	1.1
137.09639	2.0
155.10730	8.5
156.11089	0.5
161.04463	0.8
163.11243	6.1
164.08173	0.5
165.12852	3.5
171.10240	0.9
173.04509	0.8
178.09952	5.9
179.10565	0.6
181.12320	1.2
185.11864	1.4
191.10748	2.3
191.44060	0.6
193.07182	1.3
193.12387	0.6
197.11819	1.2
207.10275	1.8
209.11824	93.1
210.12172	4.9
225.11310	1.2
227.12878	0.6
236.10555	1.4
245.18935	1.1
253.18164	1.3
263.20276	1.1
278.96957	0.5
279.19669	1.5
281.21289	0.8
289.18155	4.1
307.19214	100.0
308.19565	9.8
313.32141	0.5
325.10983	0.7
325.14706	1.2
325.20334	8.3
326.20413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2028
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03331	6.6
59.01266	25.4
69.68096	11.6
71.01262	3.8
71.04920	5.6
71.78114	1.6
73.02855	1.8
81.03357	3.8
85.06471	1.8
97.06486	6.1
99.08088	5.2
101.02349	2.2
111.08099	2.0
114.50884	1.9
121.02872	4.1
122.03654	5.8
125.02429	1.9
125.09614	4.5
126.03201	2.4
134.04680	4.1
136.05183	2.8
137.09689	3.3
152.99524	1.6
161.04497	2.0
165.12804	10.1
167.14355	58.4
168.14722	2.4
171.10239	3.1
179.14516	2.3
183.01248	2.1
193.07230	4.3
193.15929	38.4
194.16180	1.6
199.13373	1.7
207.17525	47.2
209.11823	3.1
211.13538	2.0
231.17622	3.7
233.15538	4.1
249.18620	100.0
250.19044	7.5
275.16602	19.2
281.21283	83.5
282.21561	8.6
289.18280	3.8
293.17670	31.3
294.17969	3.3
307.19226	96.1
308.19604	7.1
325.20343	89.1
325.23962	12.1
326.20624	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	325.1088
Annotation	Moracin O
Peak:m/z	Relative Intensity
53.41073	0.4
59.01267	4.4
59.22840	0.4
62.41020	0.4
69.03323	0.5
71.01279	0.8
71.55919	0.9
85.02830	0.6
85.21344	0.6
86.83983	0.4
93.03347	1.4
95.04877	0.5
101.78403	0.4
109.02859	0.7
117.03336	0.7
121.02869	1.3
133.02873	1.4
135.04469	3.2
146.03539	0.6
146.51915	0.5
159.04475	0.8
161.02383	1.1
163.03932	0.6
171.04431	0.5
171.10156	0.8
173.02380	1.2
174.03227	0.6
176.38712	0.4
179.03458	2.4
183.04524	0.6
183.08141	0.8
186.03162	0.5
187.03979	1.2
188.04787	0.6
191.05559	1.9
193.06607	0.7
195.04506	1.7
195.08131	2.3
196.05266	1.8
197.06018	1.6
205.06506	0.5
207.04431	0.5
209.06029	1.6
210.06682	0.6
211.04010	1.7
211.07591	2.7
212.04736	0.6
213.05556	0.5
219.04430	0.6
219.22716	0.4
220.05286	1.0
221.06139	4.3
222.06845	1.8
223.04016	1.8
223.07596	2.9
224.04749	2.9
225.05606	1.3
233.06120	0.5
237.05588	9.7
238.06302	3.3
239.07149	7.6
240.07677	0.5
247.04315	0.5
248.04822	1.8
249.05566	7.5
249.15039	0.6
250.06442	2.1
251.03616	2.5
251.07083	2.6
252.04123	0.9
253.08647	0.5
265.05127	2.9
266.05908	3.6
267.06671	33.3
268.06970	3.3
271.02518	3.6
277.05072	2.7
278.05820	1.5
279.06635	1.9
281.08145	2.8
282.08813	1.2
289.18192	1.6
294.05374	1.2
294.08878	0.9
295.06165	91.5
296.06494	8.7
299.02103	2.6
300.02719	2.5
307.19220	0.9
309.07736	4.1
310.08521	59.8
311.08862	4.9
325.10864	100.0
325.20139	2.5
326.11194	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	325.0937
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
52.06168	0.7
57.01159	0.7
59.01270	4.5
69.68074	1.7
69.68470	5.5
78.95800	1.8
82.70337	0.7
119.04951	100.0
120.05271	4.4
142.30260	0.8
146.06050	0.8
163.03972	92.4
164.04308	5.7
186.37585	0.8
191.05598	1.5
298.89435	1.0
325.09579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03331	1.3
58.00481	0.7
59.01264	19.4
69.51904	1.7
69.52325	3.7
71.01268	15.6
72.99197	1.1
73.02834	4.9
78.95805	1.2
83.01279	1.4
85.02837	5.9
87.00777	6.3
89.02333	7.4
91.05441	0.8
93.03364	1.4
95.01286	1.5
98.20505	1.3
99.00784	1.4
101.02345	8.8
102.16076	0.6
107.19576	0.6
113.02351	5.5
119.03411	2.4
119.04926	1.0
121.02872	100.0
122.03198	3.5
125.02326	0.8
129.01907	1.2
133.02873	0.9
134.03621	0.7
135.04451	7.7
143.03409	0.9
145.06546	0.7
147.04410	1.3
151.03972	0.7
152.99545	0.8
161.02411	3.8
161.04529	1.4
163.07600	11.6
173.04556	1.0
175.04071	1.5
191.05534	1.7
193.05103	1.4
235.09836	1.4
237.09311	0.7
239.07663	0.6
245.05681	1.3
247.07410	0.6
325.09351	1.8
325.12958	12.0
326.03174	1.7
326.13376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0937
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
51.71926	1.6
59.01266	28.1
71.01266	15.0
71.55689	1.9
72.99192	1.9
85.02831	2.2
88.14613	1.8
89.02348	11.3
101.02369	6.5
113.02359	6.6
117.03362	14.8
119.03569	2.5
119.04945	67.3
120.05267	2.1
121.02918	2.9
125.64087	1.9
132.05742	4.5
133.06517	14.2
145.02888	90.1
146.03302	4.8
159.04433	2.5
161.06026	41.9
162.06413	2.3
163.03958	76.5
164.04326	3.6
177.05557	13.0
178.61946	1.9
185.07727	1.7
187.03973	6.6
193.08650	1.7
205.05052	57.1
206.05397	3.3
235.06137	42.2
257.78470	1.8
259.03387	1.6
265.07220	100.0
266.07602	8.3
307.23248	1.7
325.09360	5.6
348.31430	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	323.2597
Annotation	(plusmn)11-HEDE
Peak:m/z	Relative Intensity
52.67543	0.5
53.46521	0.5
57.03334	1.0
59.01263	15.4
61.86541	0.5
64.98940	0.5
69.03345	3.1
69.47426	3.9
69.47832	0.8
71.01260	1.4
85.02881	0.9
88.99339	0.5
89.02335	0.7
99.04465	0.5
101.02338	0.8
101.05973	3.2
113.02354	3.0
113.09624	1.0
127.07405	0.5
137.09607	0.9
149.74271	0.5
190.31319	0.6
199.13373	16.8
223.17055	5.8
263.11276	0.7
305.24915	28.1
306.25372	3.0
323.25964	100.0
324.26349	10.7
345.63882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2235
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.30436	2.0
57.03334	3.0
59.01268	67.1
64.40185	2.5
69.67043	8.8
69.67454	6.7
71.01276	6.5
71.04910	10.6
73.02852	2.8
83.04935	3.0
85.02843	3.7
95.03690	2.0
97.06483	5.3
98.19788	4.4
101.02335	3.6
103.43552	2.3
111.38742	2.2
113.02336	3.9
119.08620	3.5
121.10151	14.1
122.50113	2.1
125.09634	9.6
135.08083	3.0
137.09671	21.3
148.08813	2.6
149.09660	6.1
151.11206	3.7
161.04480	5.5
171.10233	27.5
185.11815	21.5
197.11749	3.7
209.11899	2.6
217.15953	3.6
222.28627	2.7
223.13518	2.2
241.18161	12.7
259.97397	2.5
263.11523	2.7
273.18634	5.0
275.09604	2.4
291.19717	100.0
292.20123	13.8
305.17987	4.5
305.21298	43.8
306.21445	5.6
323.18756	6.7
323.22308	85.5
324.22656	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	323.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52269	1.5
55.01765	3.0
57.03341	13.7
59.01267	60.6
69.03342	4.6
69.43145	14.6
71.01252	8.3
71.04913	13.8
72.52081	1.7
75.00781	6.0
81.03363	5.6
83.01279	14.0
83.04908	9.2
84.02061	3.8
85.02856	7.7
87.00756	2.2
89.02352	2.4
93.03381	4.2
95.01350	2.2
95.04935	20.5
97.02843	2.5
97.06503	16.8
99.00768	2.3
101.02347	3.5
101.06008	2.5
106.04140	3.0
109.06496	6.3
111.04423	3.1
113.02335	4.5
113.05981	3.7
119.03419	1.5
119.04977	2.5
120.27264	1.8
121.02867	4.9
121.06494	2.4
123.04443	6.3
123.08095	4.9
125.06024	3.4
125.09634	24.9
127.25764	1.6
135.04500	1.9
135.08061	14.5
137.05989	2.9
140.74356	1.7
149.09662	4.0
151.11243	3.7
153.09123	3.4
161.04547	3.9
161.09601	1.8
163.11246	8.1
165.12827	4.7
167.10771	3.5
171.10194	2.4
175.07619	2.3
181.12323	5.8
185.11795	18.8
189.12846	5.0
191.10735	9.3
195.13918	4.2
203.10670	1.7
203.14424	6.5
205.16078	1.6
207.10243	3.3
209.11824	100.0
210.12202	5.0
211.13417	3.5
221.11873	3.5
223.13448	1.9
235.13399	3.7
237.14980	41.3
238.15282	3.0
243.17587	7.8
247.13445	8.3
249.15007	5.2
265.14496	21.3
287.16592	19.0
288.16949	2.9
305.17657	34.2
306.18051	2.8
323.18710	50.6
323.68945	6.4
324.18869	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	323.1873
Annotation	Dinor-PGE2
Peak:m/z	Relative Intensity
51.73975	3.4
52.01867	3.6
57.03341	8.4
59.01267	100.0
66.45042	3.0
69.03345	5.8
71.01280	10.2
71.04914	97.4
71.58758	6.4
81.03360	10.5
83.04934	9.4
85.02858	7.4
87.00819	3.5
89.02357	6.6
93.03369	4.2
95.01310	4.5
95.04945	26.7
96.95957	3.5
97.06508	6.5
99.92919	3.3
101.02339	6.2
106.04208	5.1
109.02874	12.9
109.06525	16.2
110.03667	4.7
111.04427	11.7
113.02416	7.2
121.06441	4.4
122.03587	5.9
125.06071	3.1
133.06529	9.3
135.08081	7.7
147.04492	5.0
151.07613	29.6
161.04510	3.9
165.09204	6.7
171.10222	44.4
172.10657	4.5
185.11868	5.3
189.12842	17.3
196.61520	3.3
199.13329	7.9
205.15976	6.3
209.11958	6.2
211.13457	7.5
233.11829	7.0
243.17543	19.5
249.15002	14.9
251.12744	3.4
287.16620	73.1
288.16949	7.9
305.17569	33.2
323.18970	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28222	3.3
57.03327	5.9
59.01264	100.0
61.98702	3.3
62.59299	3.1
70.74425	9.8
71.01274	14.5
71.04913	12.5
73.02829	6.3
81.03342	5.6
83.01283	16.6
83.04938	12.3
85.02848	4.5
89.02367	8.1
95.04948	26.0
97.02838	5.1
97.06518	13.7
99.04433	4.5
101.02358	8.1
106.63977	3.1
107.05000	3.3
113.02410	9.0
113.05983	12.8
121.02899	7.1
123.04471	4.6
123.08083	6.8
125.09631	26.6
135.08067	16.2
147.11583	3.1
149.09715	4.9
151.11296	3.0
161.04471	3.9
163.11267	8.7
171.10222	9.0
185.11795	18.6
191.10716	7.3
203.14394	6.6
209.11835	81.3
210.12178	4.9
235.13496	3.9
239.44960	3.9
243.17487	6.5
247.13359	7.2
251.13116	3.6
265.14484	19.4
287.16605	11.1
305.17581	18.5
323.18713	49.0
324.18994	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	323.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63560	0.5
59.01265	72.8
70.97002	0.9
71.01274	0.8
73.51620	0.5
85.02863	0.6
89.02341	0.9
94.68921	0.5
101.05984	100.0
102.06337	2.2
107.04898	0.5
112.78110	0.6
161.04472	1.3
183.86192	0.5
193.14026	0.5
195.73468	0.6
263.11414	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05979	1.2
59.01265	100.0
71.01264	4.6
71.24781	3.0
73.02831	1.5
85.02833	4.9
89.02340	1.3
101.02337	2.4
101.05994	2.6
113.02332	4.1
150.40718	1.1
151.38069	1.3
161.04491	3.0
241.53296	1.3
263.11331	4.2
323.09570	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01590	1.2
71.01267	2.4
71.11064	1.1
71.11414	0.6
73.02824	0.8
76.98862	0.6
78.95796	11.3
85.02880	1.2
89.02350	0.8
96.96862	9.1
96.97491	0.6
101.02365	1.6
101.06001	1.9
113.02367	1.0
119.04996	0.6
133.02850	0.7
135.04504	0.7
149.00055	2.2
161.02475	1.1
161.04523	1.5
177.03116	0.8
192.87747	0.5
192.89868	0.5
215.53699	0.5
233.09636	0.6
233.33690	0.5
234.79344	0.5
246.12370	0.5
263.14944	4.4
286.18097	0.5
308.55606	0.5
323.11017	0.7
324.12225	3.6
327.08978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1143
Annotation	Juglanoside A
Peak:m/z	Relative Intensity
50.45441	1.2
55.01760	2.8
57.03336	6.6
57.61636	1.2
58.00481	1.4
59.01265	54.4
68.99684	1.5
69.03336	4.3
71.01270	81.4
72.28568	1.3
72.99187	4.2
73.02831	16.9
75.00763	19.0
78.95750	1.2
81.03318	2.9
83.01276	7.8
83.04868	1.3
84.02034	1.4
85.02840	34.6
87.00780	9.5
89.02363	7.2
91.05428	12.4
93.03381	2.1
97.02859	3.5
99.00795	11.1
99.04422	12.7
101.02345	31.8
101.05963	5.3
109.02867	3.5
111.00790	4.2
113.02366	12.1
115.03906	1.5
117.01807	1.6
117.03367	19.4
117.06985	3.9
119.03448	9.9
119.04955	3.7
127.03931	24.4
127.87099	1.2
128.01073	3.0
128.04192	1.6
129.01872	5.1
129.07024	1.5
130.04124	2.3
131.03419	7.3
131.04942	2.6
133.02879	4.2
134.03636	1.2
135.04453	10.0
141.01920	1.5
145.06538	9.8
147.04457	2.2
147.08112	2.3
149.06006	5.4
159.02940	33.3
160.03307	1.4
161.02443	10.2
161.06027	28.5
162.06445	1.4
163.07593	100.0
164.07919	4.5
173.06039	2.4
175.07648	2.5
177.03984	4.6
177.05424	1.8
185.06099	1.7
187.06140	1.5
188.04774	4.1
189.05495	1.9
191.05605	1.5
191.07095	6.6
201.09331	1.3
203.03587	2.2
203.05432	2.8
203.07126	19.0
204.07527	1.3
207.06549	2.1
232.05853	2.7
245.08151	6.7
263.09396	1.9
279.06857	1.5
323.11438	99.3
324.11905	7.2
333.14536	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	71.9
59.62165	0.9
60.54980	0.9
62.54330	0.9
69.19345	0.7
70.48931	0.9
70.96134	2.1
71.01228	0.9
85.02840	1.1
101.05986	100.0
102.06361	2.0
128.75000	1.0
161.04506	2.7
217.31921	1.2
223.53745	1.2
263.11368	7.4
285.72461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0782
Annotation	Skimmin
Peak:m/z	Relative Intensity
57.03345	0.8
59.01266	13.5
62.90174	0.6
63.93133	0.6
64.53553	0.7
68.48312	0.8
71.01284	1.3
71.56024	1.2
73.02824	1.0
75.00810	0.7
78.95800	3.3
85.02841	2.0
87.00796	1.4
89.03883	3.8
93.03374	1.4
96.95920	1.8
96.96861	2.5
101.02328	0.9
103.24647	0.9
112.50278	0.7
117.03377	11.5
119.04973	3.9
119.05710	0.8
125.02422	0.9
132.02165	1.0
133.02885	3.8
134.03673	100.0
135.04027	3.7
137.02336	1.4
145.02888	2.6
147.02930	1.2
147.04512	1.3
148.04089	1.1
149.06052	6.8
159.02979	1.9
160.01663	1.8
161.02409	2.7
163.03993	2.8
173.04547	1.5
175.03967	3.6
177.01868	1.0
191.05516	0.8
193.05052	83.8
194.05386	4.5
198.06750	1.1
201.01976	0.9
204.98773	0.7
213.80531	0.8
308.09079	1.6
323.11002	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	322.2032
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.14520	0.2
58.02861	1.4
59.01271	2.3
64.80804	0.2
69.54433	0.2
70.96114	0.4
70.96472	0.3
72.56435	0.2
73.02824	0.2
75.27140	0.2
80.93137	0.2
81.03346	0.4
83.04961	0.3
95.04925	0.6
97.06484	0.6
98.38690	0.2
101.02324	0.3
109.06511	0.7
121.02851	0.2
128.10735	6.6
130.08669	100.0
131.09015	2.6
137.01521	0.2
165.12779	0.9
172.09782	0.6
175.60347	0.2
191.55850	0.2
231.94228	0.3
274.44321	0.2
322.20303	39.0
323.20700	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	322.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.7
59.01264	8.6
60.01598	0.8
66.49109	0.4
70.44328	2.1
71.01278	1.3
75.11192	0.5
78.95797	100.0
80.91589	3.0
80.96233	0.6
85.55654	0.5
87.00786	0.5
89.02332	1.0
93.03325	0.6
95.96076	0.9
96.04449	0.9
96.96864	80.9
97.31823	0.5
119.04945	1.4
145.02881	2.7
148.99998	3.9
163.03926	0.7
173.04506	1.1
173.24284	0.5
177.03156	2.3
185.01724	0.6
207.04276	4.7
233.09488	5.2
246.05450	0.6
247.07463	0.9
248.06857	0.9
249.08936	1.8
261.87677	0.5
265.08481	1.4
274.08533	0.8
290.11685	1.4
295.09491	1.1
304.09628	0.8
306.11017	2.0
322.10565	13.9
322.14264	15.8
323.11356	3.9
323.14734	0.9
327.08908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.2
59.01268	1.1
59.11290	0.2
60.99522	0.2
71.56492	0.2
71.56874	0.2
78.01929	0.2
116.42123	0.2
136.06178	0.2
176.04068	0.3
176.71054	0.2
177.12778	1.0
257.83139	0.2
259.20660	0.4
261.22299	0.4
277.21811	0.5
277.24844	0.2
303.16293	0.2
303.23367	0.2
321.24396	100.0
322.24731	12.3
328.66354	0.2
334.63318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2442
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
52.80022	0.2
52.89431	0.2
53.86291	0.2
56.35741	0.2
59.01262	1.4
71.44178	0.4
73.24796	0.2
146.54480	0.2
177.12776	0.6
178.80318	0.2
259.20810	0.2
261.22293	0.7
321.24405	100.0
322.24734	11.5
342.83673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.244
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
56.38052	0.5
59.01264	73.5
60.01601	0.9
69.65147	1.0
69.65556	3.4
71.04921	0.5
71.53623	0.5
74.55037	0.4
75.44958	0.4
76.49326	0.5
82.16997	0.5
83.99068	0.5
98.20602	1.0
111.03246	0.6
111.78009	0.5
163.22310	0.6
188.97311	0.5
193.16112	0.6
261.22217	0.9
265.77338	0.6
277.25363	5.3
278.25662	0.9
321.24405	100.0
322.24738	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	321.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67031	1.0
52.24490	1.0
59.01267	40.8
60.59867	1.0
69.03323	1.3
69.93478	5.1
90.64966	1.2
101.58430	1.1
118.76113	1.4
155.65991	1.3
158.39629	1.1
179.14375	12.1
195.17543	3.0
205.15984	12.5
207.17532	100.0
208.17928	6.8
221.15491	20.2
222.15968	1.9
239.16595	4.9
261.67953	1.2
277.25333	7.6
321.24414	85.8
322.24716	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	321.2441
Annotation	ent-3alpha,4alpha-Epoxy-15-clerodanoic acid
Peak:m/z	Relative Intensity
57.03337	2.7
59.01254	1.8
59.98405	0.9
69.03341	1.2
69.60061	1.3
69.60468	0.9
71.01299	0.4
78.95802	0.7
83.21659	0.4
95.04945	0.4
99.04420	8.0
99.55203	0.4
109.06496	5.8
110.37531	0.4
125.09651	19.2
126.09997	0.5
127.11217	2.1
129.07536	0.4
137.09633	1.9
151.11162	1.6
165.10184	0.4
174.16071	0.4
209.19121	0.9
245.19109	0.6
261.22311	5.8
262.22507	0.5
277.25433	19.3
278.25760	2.2
295.72379	0.3
303.23477	1.0
321.24411	100.0
322.24750	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	321.2441
Annotation	ent-3alpha,4alpha-Epoxy-15-clerodanoic acid
Peak:m/z	Relative Intensity
57.03339	3.0
64.88362	0.2
69.03340	6.0
69.29111	1.5
69.29534	1.1
70.31998	0.2
75.95172	0.2
77.28934	0.2
82.12083	0.3
99.08060	0.4
113.09622	0.5
166.24356	0.3
177.12810	11.2
178.13132	0.7
179.14354	0.3
193.15962	29.5
194.16298	1.8
195.17557	0.4
205.15910	0.6
219.17354	0.5
252.80363	0.3
261.22299	3.6
262.22617	0.3
268.07645	0.3
277.19269	0.4
277.25409	87.3
278.25754	10.4
321.24405	100.0
322.24741	13.8
322.28574	0.6
339.25558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	3.2
57.32446	0.3
59.01269	3.3
64.31114	0.3
69.03345	3.4
69.66149	1.5
69.66566	1.2
71.58143	0.3
96.95901	0.4
102.12374	0.4
104.91405	0.4
113.09632	0.6
120.97395	0.3
131.48224	0.3
155.06137	0.4
177.12761	0.7
193.15956	1.0
219.17494	0.5
245.56787	0.4
261.22223	2.3
277.25412	83.2
278.25763	8.8
316.64975	0.4
321.24399	100.0
322.24756	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	321.2442
Annotation	ent-3alpha,4alpha-Epoxy-15-clerodanoic acid
Peak:m/z	Relative Intensity
56.23835	0.6
57.03339	6.0
58.56776	0.5
60.99184	2.6
67.88690	0.6
69.03343	2.8
69.80158	3.5
82.55053	0.7
98.19807	1.1
125.09654	2.0
136.43138	0.5
167.63945	0.7
177.12822	15.5
193.15955	30.0
194.16275	2.5
205.15968	16.4
206.16350	1.3
245.19168	2.0
261.22281	72.6
262.22549	6.9
277.25409	63.6
278.25790	7.8
295.26422	3.5
296.26825	0.6
305.21332	2.4
321.24408	100.0
322.24710	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	321.2442
Annotation	ent-3alpha,4alpha-Epoxy-15-clerodanoic acid
Peak:m/z	Relative Intensity
57.03341	1.9
58.92229	0.8
59.01261	4.6
66.70904	0.7
69.03331	2.2
70.72726	2.1
71.01290	0.8
101.89789	0.7
190.60156	0.7
193.15988	1.4
207.91832	0.9
261.22336	2.3
277.25412	62.0
278.25781	6.5
279.23358	1.0
281.89941	0.8
321.24417	100.0
322.24786	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	321.2442
Annotation	ent-3alpha,4alpha-Epoxy-15-clerodanoic acid
Peak:m/z	Relative Intensity
57.03086	0.3
57.03337	3.5
60.09277	0.2
69.03349	3.5
69.56082	2.0
91.81322	0.3
98.19779	0.3
99.08069	0.4
110.37432	0.2
113.09624	0.5
131.85394	0.3
135.33344	0.2
164.69777	0.3
177.12823	0.9
193.15958	1.5
205.16087	0.5
219.17584	0.6
261.22342	2.8
262.22568	0.3
277.25427	100.0
278.25775	12.3
278.28842	0.4
321.24423	32.3
322.24850	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	321.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00461	0.4
56.39661	0.4
59.01266	100.0
60.01604	1.5
70.44236	1.2
70.44579	0.5
71.01272	5.5
71.87430	0.4
81.10221	0.4
85.02814	0.7
89.02345	5.7
101.02344	2.4
113.02349	2.1
114.05560	0.6
119.03432	2.4
134.03693	0.5
143.03517	0.5
156.57057	0.4
161.02402	0.7
179.05612	0.6
205.67755	0.4
321.15628	3.5
322.16327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	1.1
59.01268	100.0
60.01603	0.8
69.58311	3.3
71.01274	3.1
78.70947	0.4
78.95801	14.2
81.30556	0.5
85.02853	0.9
89.02349	4.0
93.03409	0.7
96.95920	0.8
96.96873	1.8
99.04459	1.3
99.76057	0.6
101.02375	1.1
113.02375	1.6
118.42830	0.4
119.03439	1.7
119.04945	1.0
120.05329	0.5
120.99584	1.1
125.02426	0.6
129.01903	1.1
140.01208	0.5
152.99557	1.9
161.04539	0.8
163.04034	1.0
171.00609	4.1
177.04062	0.7
179.05618	1.0
284.09891	1.2
321.11795	3.6
321.61966	1.1
322.12347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52825	0.5
55.01771	1.1
57.03336	1.0
58.00478	1.3
59.01268	47.5
69.62751	1.6
69.63188	2.2
71.00898	1.0
71.01275	18.5
72.99187	2.5
73.02849	1.5
78.95795	4.5
83.01279	1.4
85.02843	4.6
87.00763	2.0
89.01825	0.9
89.02346	15.7
95.01289	1.8
96.96864	3.0
98.20580	0.5
99.00838	0.7
101.02352	11.6
113.02356	6.2
113.09641	25.1
114.09915	0.5
119.02072	0.4
119.03427	5.8
123.34844	0.5
127.11248	0.7
141.09135	5.2
143.03499	0.5
143.10721	1.2
149.04475	0.6
155.10698	2.0
157.08696	0.5
159.10225	58.2
160.10551	2.1
179.05525	1.3
185.12096	0.5
190.06175	0.5
201.11401	1.5
233.09521	0.6
251.51227	0.5
321.15631	100.0
322.16107	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	321.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96135	0.4
57.03334	0.6
59.01265	100.0
59.80827	0.5
60.01612	1.0
62.80672	0.4
69.03344	0.6
69.90654	2.2
71.01280	2.0
73.02837	0.8
85.02863	1.2
89.02353	0.8
96.95959	0.9
101.02377	1.7
113.02363	0.7
161.02388	0.8
161.04597	1.1
191.08961	0.4
202.78987	0.5
261.13498	2.9
321.15790	0.5
321.20758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03334	1.7
58.00490	4.2
59.01266	100.0
60.01605	0.8
62.77694	0.5
64.55476	0.6
71.01270	59.8
72.30303	0.6
72.99190	3.6
73.02863	0.8
78.95817	2.0
80.22752	0.6
83.01301	2.0
85.02847	9.7
87.00300	0.5
87.00752	3.0
89.02340	64.0
95.01299	5.0
96.96855	1.2
99.00763	0.8
101.02345	29.7
113.02357	20.8
119.03423	25.4
131.03427	2.2
141.09154	38.2
142.09483	1.9
143.03462	3.8
149.04550	1.5
151.16197	0.6
161.04492	3.1
179.05577	8.3
229.22662	0.8
313.79013	0.6
319.34702	0.7
321.15598	3.5
339.97864	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	321.1562
Annotation	Monamidocin
Peak:m/z	Relative Intensity
54.27740	0.3
55.01770	1.2
57.03326	0.9
58.00475	0.5
59.01264	10.8
66.37916	0.3
69.03344	0.3
69.04201	0.3
69.32880	2.0
69.33309	1.1
69.68958	0.3
71.01268	10.2
71.01666	0.5
71.36883	0.3
72.45205	0.4
72.99185	0.8
73.02841	2.4
75.00767	0.4
83.01279	1.9
85.02837	3.8
86.66516	0.3
87.00772	1.3
89.02320	2.3
95.01276	0.8
97.01611	0.3
97.48692	0.3
98.19743	0.6
99.00771	0.9
101.02345	6.6
110.02909	0.4
111.00780	0.9
113.02349	2.6
113.09628	2.3
119.03400	0.5
125.02392	0.4
133.02962	0.3
134.03668	1.9
141.09119	1.2
159.10211	30.7
160.10547	1.7
173.11769	0.4
174.05917	0.4
178.02637	1.4
193.05034	3.3
303.14511	2.7
321.15604	100.0
322.12424	0.5
322.15970	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	319.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.1
60.99175	0.5
69.03350	4.3
69.63873	0.6
69.64281	1.9
71.04913	1.3
75.99773	0.4
83.04923	0.7
86.68033	0.4
105.90220	0.3
123.08061	0.4
127.07581	2.0
137.09634	1.2
143.70343	0.3
159.89612	0.3
161.86784	0.4
165.15579	0.3
189.12868	1.8
209.96751	0.3
235.16345	0.3
242.59784	0.3
247.20728	0.5
259.20654	1.8
273.22372	2.3
274.22720	0.4
275.23868	3.5
301.21906	1.2
319.22839	100.0
320.23172	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	319.2288
Annotation	9(R)-HETE
Peak:m/z	Relative Intensity
64.57738	0.3
69.02998	0.7
69.03344	6.6
69.76546	2.1
71.04919	1.0
83.04915	1.2
96.96534	0.4
98.19841	0.8
98.33080	0.5
115.42958	0.3
160.51385	0.4
201.24960	0.4
205.15942	0.8
270.07040	0.5
275.23807	2.1
319.22858	100.0
320.23196	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	319.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
59.01260	2.1
69.03342	1.4
71.01250	0.3
71.58642	0.5
73.43932	0.3
79.95635	0.3
102.83572	0.3
134.03688	0.8
134.62134	0.3
135.04500	0.4
145.02893	0.9
154.92819	0.3
172.32178	0.3
176.04550	0.3
176.48499	0.3
205.19194	0.3
208.57396	0.3
241.67644	0.3
273.22324	5.0
274.22687	0.7
275.23901	0.7
277.14435	0.5
301.21805	3.3
319.22842	100.0
320.19330	0.6
320.23175	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	319.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10611	0.2
51.28762	0.3
59.01250	1.0
69.03343	13.1
71.04903	1.3
71.57441	0.3
109.06530	0.3
113.02341	0.4
117.03401	0.3
119.04923	0.3
142.45692	0.3
145.02913	1.0
165.12845	0.7
167.10745	0.5
185.30550	0.3
229.55469	0.3
237.99973	0.3
273.22211	0.3
275.23862	7.1
276.24191	1.0
301.21790	0.3
319.22836	100.0
320.20236	0.4
320.23172	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	319.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25445	0.2
52.23994	0.2
52.38628	0.2
59.01266	1.2
61.29441	0.2
69.03342	12.2
71.04908	1.1
71.55795	0.2
71.56237	0.3
97.06497	0.3
98.03709	0.2
99.04432	0.4
110.00761	0.2
114.62921	0.2
125.09673	0.2
133.47798	0.2
145.02867	0.4
165.12756	0.6
167.10820	0.3
189.12701	0.4
217.15950	0.7
218.16399	0.2
241.87578	0.2
255.14508	0.2
275.20798	0.4
275.23862	4.6
276.24222	0.4
301.21912	0.8
319.22836	100.0
320.23190	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	319.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04042	0.2
59.01252	0.7
63.37690	0.2
69.03345	3.1
70.58636	0.2
70.97916	0.7
79.95664	0.2
80.86318	0.2
94.02267	0.2
131.51523	0.2
133.50969	0.2
151.70485	0.2
158.33440	0.2
244.37283	0.2
253.74307	0.2
273.22293	2.5
274.22876	0.3
275.23962	0.4
280.32339	0.3
301.21841	1.1
319.22849	100.0
320.19293	0.9
320.23160	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	319.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45604	0.1
65.98239	0.1
69.03345	6.2
69.16716	0.1
69.19289	0.1
70.11017	0.7
71.04912	0.7
134.83632	0.2
167.10712	0.2
185.17303	0.1
203.61371	0.1
221.70673	0.1
275.23877	1.1
301.21851	0.3
319.22849	100.0
320.23172	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	319.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19643	0.3
63.34360	0.3
64.71607	0.3
67.25588	0.3
69.48399	1.0
69.48824	1.7
81.77171	0.3
111.04443	1.0
117.08559	0.3
118.13622	0.3
136.35939	0.3
192.66728	0.3
203.14381	0.6
257.19067	0.6
273.22311	12.7
274.22629	1.3
275.23993	1.6
301.21790	6.6
302.22079	0.7
319.22861	100.0
320.19305	0.7
320.23178	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	319.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44865	0.4
57.03332	0.7
59.01271	0.5
64.96007	0.3
69.03368	0.5
70.20367	1.1
70.26924	0.4
77.71753	0.3
83.04907	1.5
99.04421	3.5
109.06493	0.5
125.09643	0.5
145.02982	0.4
159.08101	0.7
189.12805	2.6
191.14421	4.6
193.12286	1.4
217.62277	0.4
243.17560	1.8
257.22836	2.3
259.20734	14.7
260.21054	1.0
273.22211	0.6
275.23853	1.4
296.52438	0.4
301.21555	0.8
303.19730	5.3
304.20013	0.6
318.12686	0.4
319.22855	100.0
320.23199	12.4
320.25955	0.3
320.26990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06079	0.4
59.01270	3.0
62.40609	0.5
69.03346	4.2
71.58208	0.7
83.04925	6.9
85.06490	1.8
93.03382	0.7
101.87863	0.7
113.02319	0.5
117.03411	0.5
117.62486	0.5
119.04890	0.4
121.06499	1.3
143.16763	0.5
145.02814	1.2
151.11189	1.1
189.12762	1.1
191.14381	0.6
207.17471	1.1
221.65381	0.5
225.10596	0.5
259.20764	1.1
273.22324	15.6
274.22675	1.0
275.23856	7.8
276.24066	0.9
319.22858	100.0
320.23209	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	319.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17356	0.2
59.01249	0.6
67.01797	0.2
69.03341	12.8
69.53771	1.8
71.04900	1.3
117.03397	0.2
125.09632	0.3
145.02827	0.4
165.12756	0.7
167.10744	0.2
167.12737	0.2
188.67311	0.2
242.14102	0.2
273.22375	0.5
275.23819	4.2
301.21841	0.6
319.22827	100.0
320.10629	0.3
320.23160	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	319.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11823	0.2
59.01278	0.2
69.03347	8.5
69.26408	0.2
70.03622	0.3
70.49004	0.8
71.04906	0.8
86.07516	0.2
97.81659	0.2
125.07391	0.2
151.11185	0.5
167.10675	0.6
178.57591	0.3
262.86435	0.3
263.70584	0.3
273.22382	1.2
275.23895	1.5
300.28384	0.3
301.21890	0.7
319.22855	100.0
320.23199	13.0
341.85034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.8
59.01263	1.9
59.98400	2.0
65.34216	0.8
69.03336	3.7
71.04908	4.2
71.05300	2.3
83.04911	3.4
91.65839	0.9
99.04438	3.8
139.11240	1.2
160.03271	0.8
177.12767	2.1
189.16437	6.2
205.15964	4.8
219.17517	1.1
225.94316	1.0
246.30046	1.1
257.22766	8.3
273.22186	2.3
275.23752	8.6
287.25955	1.2
319.22842	100.0
320.23209	11.7
324.62601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02869	6.0
59.01263	8.3
71.01283	2.7
71.60420	1.7
72.00805	5.4
72.99191	2.3
78.95807	1.2
82.06519	3.4
87.00754	1.4
87.46160	1.2
88.75242	0.9
91.05429	7.6
91.90443	0.9
93.03367	1.8
96.95919	1.1
99.68679	1.0
107.60709	1.0
112.07583	2.9
115.03944	2.0
118.06545	3.8
119.04966	1.5
123.16718	1.0
126.09171	1.7
129.10269	65.8
130.10638	1.4
133.23987	1.1
135.04442	3.7
136.04816	1.8
145.02866	2.2
147.04460	22.8
148.04720	1.0
153.10284	3.9
154.08618	7.0
164.07126	57.7
165.07417	1.7
170.78415	1.0
171.11348	47.4
172.11572	2.1
179.03656	1.3
183.11493	1.2
191.05566	7.0
192.05974	1.8
227.03528	1.8
228.03944	2.4
233.16621	31.3
234.16951	2.6
255.03026	3.8
256.03415	3.3
275.17816	5.6
277.15695	1.7
283.02588	2.6
284.03003	3.8
285.03705	1.4
319.16711	100.0
319.22858	3.9
320.17035	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	319.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03330	1.1
58.00470	2.3
59.01265	53.3
60.01595	0.7
69.03338	0.5
70.06748	2.5
71.01271	32.7
72.99205	3.1
73.02833	2.4
77.93298	0.5
78.95795	0.9
83.01271	2.2
85.02845	7.6
87.00782	1.7
89.02336	26.5
95.01297	2.3
96.95918	0.7
99.00755	0.8
101.02352	20.9
113.02368	12.1
119.03426	12.2
119.04942	2.3
131.03423	1.0
139.06549	1.1
139.07584	14.1
143.03423	1.3
145.02888	1.0
146.52766	0.6
157.08679	2.0
161.04494	0.9
163.03946	1.1
179.05556	0.8
214.42839	0.5
260.93042	0.6
275.14502	0.7
319.14056	100.0
319.22403	2.1
320.14389	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	319.1404
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
50.75643	0.8
55.01772	1.5
56.71114	0.7
57.03341	1.2
58.00474	2.4
59.01266	61.6
65.72402	0.8
71.01272	41.2
71.50653	1.5
71.73317	0.8
72.99200	4.7
73.02822	2.0
75.20760	0.8
83.01272	3.3
85.02842	7.9
87.00790	1.8
89.02342	31.6
95.01287	2.7
96.95918	2.0
99.00771	1.2
101.02351	23.8
113.02364	11.9
119.03422	12.8
119.04953	0.8
139.07582	16.9
157.08656	2.9
161.04535	1.4
319.14056	100.0
319.22385	7.5
320.14386	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	319.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89182	0.5
55.01771	1.1
55.47806	0.5
57.03335	1.3
58.00478	1.2
59.01269	28.2
69.03348	1.0
69.23714	0.4
70.12178	0.4
71.01276	20.0
71.02708	1.4
72.99200	1.9
73.02843	1.6
78.18835	0.5
83.01283	1.7
84.02049	0.8
85.02856	5.0
87.00776	1.3
89.02338	13.9
93.03394	0.9
95.01282	1.7
96.54178	0.5
99.00741	0.9
101.02351	12.7
111.08076	15.3
112.08391	0.5
113.02365	6.8
117.03394	0.9
119.03423	6.2
119.04922	2.2
120.03757	0.6
131.03430	0.5
136.07600	0.9
137.02393	0.6
138.05508	1.2
139.07585	5.2
141.09122	1.2
145.02898	2.5
153.09158	1.9
157.08656	55.7
158.08980	2.2
163.03990	2.4
173.04604	0.7
182.99176	0.5
189.09515	0.5
199.09723	1.7
257.12885	0.6
287.14395	0.6
319.14063	100.0
319.22623	12.0
320.14407	8.8
320.23264	1.0
339.20618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.6
61.15159	0.6
65.03832	1.1
69.03336	1.4
69.81943	2.1
69.82356	1.4
70.98382	0.6
71.01269	0.8
73.02826	1.8
77.73782	0.5
81.03356	1.7
83.04910	4.6
85.02850	0.7
93.03361	42.4
94.03713	0.7
95.01274	0.8
96.95915	1.4
99.00811	0.8
99.04437	0.6
109.02891	0.6
111.04433	15.0
115.71938	0.6
117.03371	7.6
119.04945	88.5
120.05264	3.5
120.99570	2.6
121.02903	0.7
137.02376	27.3
138.02708	1.0
145.02887	21.8
146.03195	0.8
148.63148	0.5
155.03456	27.2
156.03809	1.3
163.03960	100.0
164.04301	5.5
173.04510	3.6
194.32143	0.5
201.05533	0.6
244.21960	0.5
280.01855	0.7
319.08319	19.7
319.22821	13.3
320.08649	1.5
320.23285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1408
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
51.89182	0.5
55.01771	1.1
55.47806	0.5
57.03335	1.3
58.00478	1.2
59.01269	28.2
69.03348	1.0
69.23714	0.4
70.12178	0.4
71.01276	20.0
71.02708	1.4
72.99200	1.9
73.02843	1.6
78.18835	0.5
83.01283	1.7
84.02049	0.8
85.02856	5.0
87.00776	1.3
89.02338	13.9
93.03394	0.9
95.01282	1.7
96.54178	0.5
99.00741	0.9
101.02351	12.7
111.08076	15.3
112.08391	0.5
113.02365	6.8
117.03394	0.9
119.03423	6.2
119.04922	2.2
120.03757	0.6
131.03430	0.5
136.07600	0.9
137.02393	0.6
138.05508	1.2
139.07585	5.2
141.09122	1.2
145.02898	2.5
153.09158	1.9
157.08656	55.7
158.08980	2.2
163.03990	2.4
173.04604	0.7
182.99176	0.5
189.09515	0.5
199.09723	1.7
257.12885	0.6
287.14395	0.6
319.14063	100.0
319.22623	12.0
320.14407	8.8
320.23264	1.0
339.20618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0833
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
59.01268	5.1
65.03847	1.0
69.03350	1.7
71.01279	3.4
71.59487	0.6
72.99200	0.8
73.02852	3.0
75.94227	0.4
78.95782	0.6
81.03358	1.5
83.04922	5.6
85.02851	1.4
89.02338	3.0
90.98560	0.4
93.03358	37.1
94.03692	0.9
95.01306	1.4
99.00781	1.1
99.04439	0.8
101.02364	1.6
109.02854	0.7
111.04432	10.3
113.02354	1.4
117.03376	7.3
119.04946	97.5
120.05291	3.8
120.99567	2.1
137.02376	27.3
138.02711	0.6
138.05557	0.6
139.07581	1.2
145.02892	23.6
146.03214	1.3
150.09636	0.5
154.15736	0.5
155.03442	22.7
156.03770	0.5
161.04533	0.7
163.03960	100.0
164.04295	4.7
173.04561	2.3
173.11792	0.9
179.05685	0.5
209.11800	0.7
295.70367	0.5
306.51898	0.5
319.08304	20.2
319.22849	10.1
320.08569	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0828
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
65.03848	1.1
71.36594	0.7
73.02846	2.2
78.91782	0.7
78.95794	29.5
81.03345	1.9
83.04920	3.8
84.00796	1.0
84.01945	0.7
87.52194	0.7
93.03362	33.8
94.03725	0.8
94.64320	0.7
95.01292	0.8
96.96865	27.0
111.04429	12.1
117.03387	5.6
119.04949	90.6
119.41515	0.7
120.05299	3.9
137.02385	26.4
138.02713	1.2
145.02898	21.7
146.03236	1.3
155.03456	25.5
156.03801	0.9
163.03964	100.0
164.04315	4.3
173.04539	2.1
207.04234	1.5
233.09450	3.2
234.09798	1.1
248.85110	0.7
253.63841	0.7
274.08572	1.5
276.10135	1.3
319.07928	17.6
319.11008	3.9
320.08810	2.2
320.12674	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78147	0.3
57.03320	0.7
59.01261	0.3
67.01775	0.6
71.57940	0.5
73.49825	0.3
81.03348	4.0
83.04929	0.5
88.61203	0.3
92.50153	0.4
95.04934	0.5
97.06493	8.0
103.86906	0.3
107.04935	3.5
109.06501	11.1
110.06844	0.5
111.08036	0.4
121.06517	1.3
122.03623	0.3
123.08083	6.6
124.08477	0.4
125.09682	0.5
135.08072	0.4
137.09648	0.6
147.08093	1.5
147.11696	1.9
149.09665	3.7
151.11197	0.4
163.11241	23.5
164.11572	1.2
165.12811	6.9
166.13211	0.5
167.14407	0.5
167.89594	0.3
177.77957	0.3
189.11380	0.3
189.12842	1.7
189.14348	0.3
203.14410	1.1
205.15921	1.6
235.17159	0.9
245.48622	0.3
257.19217	0.6
273.22311	100.0
274.22647	12.6
299.20370	0.6
317.21292	88.3
318.21619	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	317.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57562	0.3
59.01258	1.0
71.57746	0.6
72.65687	0.3
81.03371	1.7
90.16727	0.3
97.02864	0.3
97.06487	3.6
107.04932	1.2
109.06491	4.0
110.06793	0.3
121.02830	0.3
121.06485	0.7
123.08062	2.1
136.51579	0.3
147.08128	0.3
147.11754	0.9
149.09641	1.3
151.11203	0.4
163.11230	7.0
165.09196	1.7
165.12823	2.6
167.14355	0.3
205.15970	1.1
257.19113	0.5
273.22284	12.2
274.22614	1.4
299.02148	0.6
299.20300	0.4
317.21262	100.0
318.21597	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	317.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39939	0.2
62.90217	0.3
70.89175	0.9
71.04932	0.4
83.68308	0.3
124.57832	0.3
156.45708	0.3
158.64998	0.3
168.60585	0.3
203.14410	6.6
204.14777	0.5
241.98273	0.3
271.20743	0.4
273.22281	3.8
274.22653	0.4
306.32950	0.3
317.21277	100.0
318.21603	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	317.2129
Annotation	CAY10410
Peak:m/z	Relative Intensity
50.15854	0.4
51.09014	0.3
59.01254	1.7
59.01516	0.4
59.60801	0.3
69.03336	0.9
69.59064	2.7
90.91600	0.4
98.19666	0.5
99.78693	0.4
105.07010	0.7
109.02840	0.5
121.06509	0.7
123.08092	0.8
145.37627	0.4
155.73254	0.4
163.11296	0.6
173.09923	0.5
203.14348	0.8
271.20593	2.0
273.22269	4.0
299.02036	0.9
299.20160	4.0
300.20532	0.6
317.21265	100.0
318.21603	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2128
Annotation	CAY10410
Peak:m/z	Relative Intensity
51.37189	0.3
51.67903	0.3
59.01247	0.7
60.53571	0.3
69.03353	1.6
69.25729	1.4
69.26163	1.6
78.95779	0.4
92.88486	0.3
95.04933	0.7
99.04440	0.6
121.06554	0.6
123.08091	0.4
135.56387	0.3
152.99536	0.7
163.11246	0.7
171.33640	0.3
178.31995	0.3
187.11243	1.0
189.12880	0.6
201.09267	0.3
203.14481	0.3
205.15991	1.8
235.17023	0.9
249.10809	0.3
255.23265	0.3
257.19168	4.1
273.22299	43.3
274.22681	4.3
278.11316	0.4
301.18137	1.9
302.18567	0.5
317.21271	100.0
318.21628	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	317.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39319	0.6
64.39808	0.6
64.62486	0.5
69.32565	4.6
70.87180	0.6
71.04909	0.7
81.03342	3.7
83.04942	1.3
97.06508	7.2
98.19738	1.3
105.93642	0.5
107.04935	2.2
109.06512	10.3
121.06531	2.2
123.08105	5.6
137.09628	0.8
147.08115	1.3
147.11740	2.3
149.09714	2.9
163.11243	16.9
164.11531	1.1
165.12825	5.8
166.97998	0.5
167.14372	0.6
189.12894	1.1
205.16052	1.4
235.17026	0.6
273.22321	89.6
274.22668	10.0
280.37109	0.6
288.51895	0.6
317.21301	100.0
318.21625	11.7
336.22043	0.7
338.65927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18861	0.3
57.03332	1.6
59.01264	4.3
71.51309	0.5
81.03351	0.4
83.04886	0.8
89.32012	0.3
95.04910	0.9
99.04427	0.3
107.04922	0.5
109.06521	0.3
111.04391	0.5
119.04907	0.5
121.02893	1.8
121.06509	18.2
121.51151	0.3
122.06881	0.5
123.08080	3.2
133.06528	0.6
134.98465	0.3
135.08043	0.5
142.11342	0.4
151.03879	0.4
161.09651	0.4
173.09618	1.1
178.02647	0.4
189.12834	3.7
199.50046	0.3
203.14369	0.9
205.15952	5.1
257.19128	4.5
258.19543	0.6
273.22290	41.5
274.22690	4.2
299.20294	0.7
317.21268	100.0
318.21603	10.2
318.25345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.5
66.57458	0.5
71.57749	0.8
76.91106	0.4
77.53864	0.5
79.95664	0.5
83.04904	1.4
95.04948	1.8
99.04427	2.7
107.04919	1.2
113.99493	1.0
121.06509	4.9
123.08083	0.9
134.03658	0.7
137.09656	6.3
138.09909	0.6
149.09674	1.2
153.51015	0.5
161.09680	1.4
161.76863	0.5
163.11246	1.9
189.12856	3.7
203.14436	2.5
205.15981	5.4
231.17549	2.7
257.19073	2.3
273.22302	60.2
274.22610	6.5
299.01978	0.9
299.20288	1.3
317.21268	100.0
318.21625	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	317.1975
Annotation	oscr#16
Peak:m/z	Relative Intensity
55.50904	0.5
57.03337	1.2
59.01264	92.3
60.01598	0.6
70.74139	2.0
71.04913	2.0
78.07998	0.5
78.95801	1.2
81.03356	0.8
83.04922	6.5
84.01952	0.7
85.02853	2.1
95.04907	2.8
96.96870	1.9
99.04386	0.7
99.08057	3.9
101.05975	8.9
109.06493	9.6
113.05989	0.9
121.06496	0.9
129.09172	0.9
137.09662	6.6
139.07581	4.2
155.10704	2.1
173.43001	0.6
183.13992	0.7
233.09412	0.9
241.29562	0.6
257.17642	1.7
271.02673	0.6
299.01996	0.8
299.18729	4.2
317.19745	100.0
318.20154	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23134	1.3
67.10653	1.0
70.31146	2.3
79.95647	1.6
80.96413	12.8
87.00775	1.4
91.43737	1.0
94.97989	3.1
96.96860	8.3
98.19909	1.3
125.02462	1.3
152.98557	3.0
164.98608	5.3
198.51038	1.1
206.99756	1.3
225.00731	10.7
300.66608	1.1
317.05542	100.0
318.05887	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0554
Annotation	Prekinamycin
Peak:m/z	Relative Intensity
50.29892	0.5
53.38745	0.5
55.57104	0.4
56.12638	0.4
59.01274	0.5
59.85626	0.4
63.33646	0.4
69.03313	0.5
69.39817	0.4
70.08965	1.9
70.13739	0.4
71.01263	3.9
73.02853	0.9
74.02371	0.6
78.95792	2.6
78.98483	3.1
79.95611	3.7
80.96410	37.7
85.02840	1.7
87.00774	2.1
88.03998	0.5
92.61779	0.4
94.97984	9.0
96.95909	1.1
96.96860	7.4
97.02856	0.7
98.20440	0.9
99.00780	0.8
101.02348	1.4
106.97984	2.0
108.90646	0.5
120.99604	0.7
122.97491	1.3
125.01534	0.4
125.02369	2.2
127.03949	0.8
134.97508	3.0
136.99002	0.7
148.99084	3.4
150.04193	2.1
151.04094	0.4
152.98553	3.7
164.98561	7.9
167.00012	0.4
206.99692	2.2
219.04974	0.6
225.00755	13.0
226.01154	0.5
282.08478	1.4
317.05527	100.0
318.05865	4.6
327.68228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.5
59.01263	3.9
63.02288	6.2
65.00207	10.3
68.99703	1.9
69.03349	1.0
69.27730	9.4
70.81236	0.8
71.01279	1.5
83.01275	10.3
88.82161	1.0
91.01760	1.3
95.01292	6.1
96.95905	3.6
101.75794	1.1
102.46173	1.0
107.01291	19.1
108.02083	3.0
109.02860	100.0
110.03178	2.8
111.00783	1.6
119.01311	2.3
123.00803	3.2
124.01580	8.3
125.02371	16.2
133.02881	2.9
135.00810	7.5
135.04446	1.3
137.02365	2.5
139.00296	1.4
147.00865	1.0
147.04454	0.9
151.00308	50.5
152.01112	19.4
153.01878	35.3
159.04466	2.3
161.02412	3.1
163.00319	69.6
164.00931	3.3
169.01355	5.5
174.03227	1.1
175.03951	4.6
178.99821	32.6
180.00130	2.2
181.01436	4.5
183.04453	3.3
185.02397	1.7
187.03943	3.6
189.01903	1.4
190.99834	45.6
192.00160	1.6
199.03989	2.7
201.01965	1.2
203.03452	3.9
206.99338	36.5
207.02885	1.5
208.00095	16.3
211.03958	8.1
213.01947	2.6
217.05048	4.7
221.73782	1.0
227.03523	19.1
228.03859	2.0
229.05170	2.0
230.02222	1.4
231.02986	6.1
243.03015	1.3
245.04539	6.3
255.03009	23.6
256.03412	2.2
258.01825	2.3
271.02444	5.0
273.04117	6.2
281.00876	1.0
299.02045	19.4
317.03015	14.3
317.08368	1.5
317.21347	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2547
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
51.04129	0.2
59.01259	1.2
70.11982	1.0
71.01283	0.2
80.45640	0.2
81.78544	0.2
83.01246	0.2
90.92210	0.2
117.03363	1.1
119.04951	1.2
121.02816	0.3
127.11200	1.1
129.26996	0.2
133.02864	0.8
139.11189	0.6
141.12787	2.0
145.02881	3.3
145.03929	0.3
146.03235	0.3
146.48288	0.2
151.00374	0.2
155.10754	0.5
155.14304	0.3
157.12277	0.7
160.86090	0.2
161.02391	1.0
163.03926	0.3
203.36211	0.2
217.00163	0.3
267.23334	0.9
269.24860	1.3
273.20825	0.3
295.22900	0.2
297.24420	1.9
298.24768	0.2
300.02603	0.3
304.39871	0.2
310.39218	0.2
313.23901	1.7
315.05112	0.6
315.16052	7.7
315.25452	100.0
316.16635	1.1
316.25818	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	317.0308
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
57.03328	3.0
59.01252	2.7
63.02289	6.8
65.00211	10.1
66.89516	0.8
67.01778	1.4
69.03346	1.1
69.36491	8.6
71.01268	1.2
77.98080	0.8
80.96389	1.1
81.03363	1.3
83.01276	10.1
84.01618	1.0
91.01804	1.3
95.01292	8.1
96.96847	1.1
97.02892	0.9
98.19766	1.0
105.69138	0.8
107.00627	1.4
107.01298	17.8
108.02074	2.4
109.02866	100.0
110.03223	2.4
111.00790	1.8
119.01263	1.1
121.02871	1.0
123.00822	1.5
124.01617	6.6
125.02373	18.5
133.02870	3.7
135.00815	7.7
137.02354	2.4
139.00259	1.4
139.28481	0.7
151.00317	51.0
152.01102	16.8
153.01880	35.0
159.04424	1.4
161.02380	2.8
163.00323	73.9
164.00862	4.9
169.01413	7.1
171.04428	1.0
174.03146	1.4
175.03903	4.6
178.99832	38.5
180.00191	1.0
181.01396	3.3
183.04475	3.4
185.02367	1.6
187.03957	3.1
189.01956	1.2
190.99841	52.9
192.00224	2.3
199.03983	2.3
203.03494	4.6
204.88509	1.1
206.99336	39.9
208.00110	22.4
208.02051	1.5
209.00665	1.4
210.03192	1.2
211.03984	8.2
213.01886	0.9
214.61545	0.9
217.05090	3.9
226.02589	0.9
227.03513	22.1
228.03967	1.8
229.01421	1.1
229.05058	1.2
230.02188	1.4
231.03017	7.7
243.02895	1.5
245.04605	5.2
255.03036	26.9
256.03470	2.2
258.01691	3.1
271.02594	8.5
273.04163	9.6
281.00946	1.0
299.02023	19.0
300.02640	1.8
317.02814	13.7
317.16061	0.9
317.21246	1.0
318.03186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1973
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
59.01271	1.6
70.33262	2.6
97.06512	0.9
97.27489	0.8
101.96216	0.7
107.04942	0.8
108.02044	0.8
109.02919	1.3
109.06543	1.5
119.04977	0.9
121.02906	2.8
122.02269	0.8
122.03716	5.3
123.03448	1.1
123.04391	1.0
131.08551	1.9
133.06546	2.6
135.04482	1.1
143.08580	1.2
145.02904	3.2
145.06607	0.8
145.10179	9.8
147.08080	4.1
148.05231	1.1
149.06085	0.8
149.09637	0.8
159.04482	1.0
159.08075	4.1
161.09645	5.8
173.06030	10.4
174.06799	1.8
175.07634	10.9
187.07613	11.0
189.09192	100.0
190.09550	6.6
191.10739	7.5
205.08676	5.4
238.01735	0.7
253.19722	1.4
297.18671	47.9
298.19058	5.1
315.16272	5.3
315.19693	95.8
316.16589	1.1
316.20026	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55003	0.4
59.01267	3.2
72.29560	0.5
75.79500	0.5
83.04887	0.5
93.03365	0.6
97.06495	3.0
107.04936	0.5
109.02863	1.6
111.04425	1.8
117.03368	2.2
119.04983	2.4
121.06514	0.8
123.04420	1.2
123.08067	0.9
127.11217	0.7
133.02892	1.0
141.12738	1.3
145.02888	6.6
153.05484	1.0
161.02373	1.5
163.03964	1.0
163.11234	3.0
171.10274	1.4
191.07164	1.3
203.14378	1.4
205.08694	1.0
205.15820	0.5
217.00241	1.5
231.12257	0.5
231.23598	0.5
232.97479	0.7
233.15474	1.7
271.20834	3.2
279.23245	1.0
287.20300	0.8
297.18906	0.8
297.24536	2.8
313.23935	3.4
315.16101	12.1
315.19681	100.0
315.25317	32.6
316.16565	1.2
316.20020	10.6
316.25745	2.3
327.20819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1973
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.90264	0.2
56.97771	0.2
57.03347	0.4
59.01263	5.5
65.03836	0.3
69.03343	0.3
69.29597	0.9
69.30022	1.6
71.01216	0.3
78.95820	0.3
80.87539	0.2
81.03349	0.5
83.04922	0.7
93.03385	0.3
94.29267	0.3
97.06482	4.3
102.11058	0.2
107.04942	0.8
108.02075	0.3
109.02853	2.3
111.04438	0.7
117.03394	2.1
119.04952	3.2
120.05289	0.2
121.02872	0.8
121.06515	7.0
122.06898	0.3
123.04447	1.1
123.08074	0.7
133.02898	1.3
134.03651	0.6
135.04478	0.4
137.02310	0.4
145.02887	9.0
146.03249	0.5
147.08096	0.8
153.01791	0.4
161.02391	4.2
161.09677	0.7
163.03987	1.5
163.11230	3.3
165.05568	0.4
173.06056	0.3
177.09193	0.4
189.09236	0.4
191.07060	1.9
201.12753	0.2
203.14452	0.6
205.08661	1.4
205.15967	1.0
206.09335	0.5
217.00372	0.4
233.11848	0.3
255.03363	0.3
255.23424	0.3
271.20758	3.5
272.21185	0.3
287.20224	0.8
297.18668	1.0
297.24210	0.3
299.44116	0.3
300.02826	0.7
314.27200	0.4
315.16089	21.8
315.19705	100.0
315.25531	4.9
315.27652	3.5
316.16391	2.6
316.20068	10.4
316.25537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.6
60.13774	0.2
69.03342	1.8
69.53263	0.8
69.53693	0.9
78.69339	0.2
78.95788	0.8
81.03323	0.4
83.04910	1.0
84.45216	0.2
97.06471	0.3
98.19860	0.2
110.35691	0.2
111.04427	9.0
111.20248	0.2
112.04772	0.3
113.05981	0.5
117.03355	1.0
119.04942	1.8
119.08553	1.1
121.06506	1.0
123.04455	0.3
123.08062	0.7
126.36687	0.2
128.96977	0.3
133.02850	0.9
133.06543	0.4
135.04433	0.3
137.02299	0.2
142.16905	0.2
145.02873	4.3
145.03926	0.3
161.02388	1.9
163.03896	0.5
163.07613	0.2
169.10126	0.3
171.00491	0.3
187.11278	1.3
201.12805	0.7
203.14401	7.1
204.14703	0.4
233.15501	5.8
234.15800	0.3
255.17625	0.3
269.24796	0.4
271.20749	6.5
272.21054	0.8
300.02664	0.3
315.16132	10.5
315.19669	100.0
315.25577	4.5
316.16397	1.3
316.20013	10.7
316.25714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	10.9
59.01265	100.0
60.01596	1.0
65.03826	0.7
65.36385	0.8
69.03342	1.3
71.01273	9.4
71.04903	1.0
71.58160	1.1
73.02839	1.4
74.02360	1.8
78.95799	9.7
81.03345	1.6
81.87942	0.8
83.04916	20.8
85.06487	3.7
91.06718	0.8
93.03361	0.7
96.95918	1.3
96.96857	7.9
97.02859	4.0
108.02082	1.9
115.03934	5.9
117.03368	4.1
119.04942	4.5
121.02890	1.3
123.04446	1.4
125.09622	1.3
133.02855	3.2
135.00859	0.8
135.04439	1.2
139.00293	0.9
139.03976	0.9
145.02879	12.0
145.04926	1.7
152.01079	2.2
153.12700	1.0
155.10661	3.3
161.02397	6.9
163.03955	1.4
163.14856	2.6
171.10164	1.0
179.03482	0.9
183.13803	3.0
191.05472	0.8
216.03925	0.7
233.09367	2.8
237.15034	5.0
255.16069	98.7
256.16434	6.2
273.17166	8.0
287.01917	2.1
300.02759	1.2
314.97928	0.9
315.01367	3.5
315.04810	1.3
315.11578	1.3
315.15714	27.2
316.16223	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	315.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70375	0.8
55.01771	8.4
57.03338	6.9
58.00488	2.0
59.01265	46.5
69.03349	1.5
71.01273	100.0
71.57706	1.7
72.01609	1.6
72.99203	5.9
73.02839	37.8
73.54030	0.9
75.00797	2.1
77.65244	1.2
83.01281	19.8
85.02844	52.7
86.00033	1.5
86.03194	1.1
87.00765	5.1
89.02351	7.1
93.38241	0.9
95.01304	7.2
96.95926	2.0
97.02875	4.1
99.00775	15.8
101.02346	88.3
102.02699	1.4
102.67332	1.2
111.00804	2.5
113.02361	45.3
114.02724	1.4
114.46527	0.9
117.03407	2.2
119.04934	2.5
123.04502	1.3
125.02377	2.9
129.01897	2.1
133.02922	2.0
143.03459	5.6
145.02916	5.0
148.90672	0.8
153.12807	1.7
159.02942	12.5
161.04504	75.1
162.04921	1.9
205.03508	5.1
232.41646	1.0
315.18359	87.6
315.21280	4.5
316.18710	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	315.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70375	0.8
55.01771	8.4
57.03338	6.9
58.00488	2.0
59.01265	46.5
69.03349	1.5
71.01273	100.0
71.57706	1.7
72.01609	1.6
72.99203	5.9
73.02839	37.8
73.54030	0.9
75.00797	2.1
77.65244	1.2
83.01281	19.8
85.02844	52.7
86.00033	1.5
86.03194	1.1
87.00765	5.1
89.02351	7.1
93.38241	0.9
95.01304	7.2
96.95926	2.0
97.02875	4.1
99.00775	15.8
101.02346	88.3
102.02699	1.4
102.67332	1.2
111.00804	2.5
113.02361	45.3
114.02724	1.4
114.46527	0.9
117.03407	2.2
119.04934	2.5
123.04502	1.3
125.02377	2.9
129.01897	2.1
133.02922	2.0
143.03459	5.6
145.02916	5.0
148.90672	0.8
153.12807	1.7
159.02942	12.5
161.04504	75.1
162.04921	1.9
205.03508	5.1
232.41646	1.0
315.18359	87.6
315.21280	4.5
316.18710	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	315.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	2.4
59.01266	100.0
61.19529	0.8
62.46304	0.7
62.76939	0.8
66.09177	0.8
69.03344	1.0
69.82949	2.6
69.83378	3.0
71.01263	2.6
71.04909	2.6
73.02821	1.4
83.04939	5.4
85.02846	3.6
86.73629	0.9
93.03371	1.3
95.04933	3.3
97.06476	8.2
101.06000	8.3
109.02866	1.0
109.06505	10.1
111.04445	1.4
111.08068	0.9
117.03353	9.2
119.04940	15.3
121.02863	2.7
121.06502	1.5
123.04423	2.6
133.02884	5.7
134.03654	2.9
135.04453	3.4
137.02414	1.8
137.09650	4.4
139.07588	3.3
145.02887	39.6
146.03261	1.2
151.11232	1.3
155.10678	1.7
161.02386	18.1
163.03926	7.3
163.11301	1.8
165.09143	2.0
169.12343	1.3
178.02666	1.1
179.03442	1.5
181.12366	1.0
197.11931	0.9
199.10901	0.8
207.22411	0.8
255.16350	0.8
297.17136	5.9
315.15961	68.4
315.18539	42.4
316.16183	5.4
316.18832	4.4
337.29303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	10.9
59.01265	100.0
60.01596	1.0
65.03826	0.7
65.36385	0.8
69.03342	1.3
71.01273	9.4
71.04903	1.0
71.58160	1.1
73.02839	1.4
74.02360	1.8
78.95799	9.7
81.03345	1.6
81.87942	0.8
83.04916	20.8
85.06487	3.7
91.06718	0.8
93.03361	0.7
96.95918	1.3
96.96857	7.9
97.02859	4.0
108.02082	1.9
115.03934	5.9
117.03368	4.1
119.04942	4.5
121.02890	1.3
123.04446	1.4
125.09622	1.3
133.02855	3.2
135.00859	0.8
135.04439	1.2
139.00293	0.9
139.03976	0.9
145.02879	12.0
145.04926	1.7
152.01079	2.2
153.12700	1.0
155.10661	3.3
161.02397	6.9
163.03955	1.4
163.14856	2.6
171.10164	1.0
179.03482	0.9
183.13803	3.0
191.05472	0.8
216.03925	0.7
233.09367	2.8
237.15034	5.0
255.16069	98.7
256.16434	6.2
273.17166	8.0
287.01917	2.1
300.02759	1.2
314.97928	0.9
315.01367	3.5
315.04810	1.3
315.11578	1.3
315.15714	27.2
316.16223	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	315.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40218	0.7
55.01772	7.4
56.94878	0.4
57.03340	5.9
58.00483	2.6
59.01265	39.1
60.01614	0.5
63.02275	0.8
63.43972	0.5
64.20806	0.4
69.03344	1.1
70.38400	0.5
70.42910	0.5
71.01270	100.0
72.01609	1.3
72.99196	3.1
73.02834	28.6
75.00763	1.9
83.01276	12.2
84.02071	1.2
85.02843	45.0
86.03186	0.9
87.00761	3.5
89.02337	13.6
95.01283	8.0
95.01854	0.9
95.69111	0.5
97.02840	1.8
99.00774	16.9
101.02346	56.4
102.02695	1.2
107.01301	1.3
113.02357	37.5
114.02725	1.0
117.03357	0.7
119.03393	3.4
119.04899	1.2
125.02389	2.5
129.01878	1.4
143.03445	2.1
145.02904	2.1
151.00302	2.9
159.02921	6.7
160.03209	0.5
161.02473	1.0
161.04498	24.7
162.04819	0.7
164.01108	0.6
179.85321	0.6
205.03545	0.9
216.69370	0.5
227.03461	0.7
271.02399	1.3
272.02966	1.0
300.02786	10.3
301.03101	1.3
315.05154	14.1
315.15564	3.8
316.05411	1.2
316.16617	0.8
321.97485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.6
55.01773	7.3
57.03342	5.6
58.00476	2.8
59.01264	50.7
69.03358	1.3
71.01270	100.0
71.58693	1.3
72.01601	1.4
72.99203	3.6
73.02837	28.1
75.00767	1.9
77.69592	0.7
78.95806	0.7
83.01277	9.4
85.02843	40.4
86.03165	1.1
87.00765	3.5
89.02339	22.7
91.73587	0.6
95.01286	8.7
96.95908	1.1
97.02853	2.2
99.00788	11.7
101.02344	51.4
113.02357	39.1
114.02697	0.8
117.03389	0.8
119.03423	7.6
119.04941	2.0
121.02905	0.8
125.02372	2.3
125.34052	0.7
129.01843	1.2
131.03488	0.9
143.03430	3.5
145.02908	3.8
159.02954	5.6
161.02367	1.7
161.04498	22.3
162.84903	0.6
163.04060	0.7
189.01746	0.6
205.03590	0.9
208.48566	0.7
243.02699	2.2
244.03244	2.8
271.02353	3.1
272.02728	3.1
286.04532	1.3
287.01993	0.9
289.05725	0.7
300.02737	5.5
315.04919	11.0
315.15814	7.8
315.21677	0.9
316.05301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.8
59.01247	0.6
67.12938	0.7
69.75130	3.8
78.95795	79.3
82.57838	0.7
83.02389	5.3
90.33894	0.7
96.96864	100.0
147.62956	0.6
147.81837	0.7
162.63663	0.7
222.44681	0.8
233.09477	14.5
234.09772	2.9
257.03738	0.7
272.10641	13.2
273.10281	0.8
274.08835	1.1
280.38550	0.7
308.48712	0.7
315.11237	43.7
315.15497	1.4
316.11902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1608
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
50.86163	0.2
62.60561	0.2
69.53878	1.6
87.85310	0.2
117.03378	0.3
119.04924	0.6
121.02862	0.8
133.02881	7.7
134.03667	3.3
135.04459	4.6
137.02377	2.8
139.03954	0.9
145.02908	1.8
161.02386	34.3
162.02715	1.7
163.03954	0.4
178.02654	0.7
179.03456	3.0
180.03778	0.2
268.71927	0.2
315.16083	100.0
316.16400	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	315.1097
Annotation	Taxicatin
Peak:m/z	Relative Intensity
56.45804	0.8
59.01240	0.8
59.49302	0.8
71.39275	2.1
72.78333	1.0
117.03360	1.4
119.04971	1.6
123.04446	73.3
124.04789	3.3
133.02850	1.6
145.02942	2.3
153.05522	100.0
154.05829	4.3
161.02383	1.8
190.12430	0.9
240.44426	1.1
315.11057	3.3
315.16116	13.2
315.19669	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	315.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60815	0.6
59.01263	1.0
71.58077	0.7
74.20302	0.5
78.30356	0.5
78.95795	87.9
83.02403	6.8
83.57437	0.6
96.96865	100.0
103.63854	0.6
107.01286	0.9
109.02789	0.8
117.03386	1.3
119.04967	0.7
133.02878	0.9
136.40735	0.6
137.64952	0.6
145.02855	2.7
151.00287	3.5
161.02298	0.7
172.87259	0.6
178.99739	0.6
183.04466	1.4
187.78156	0.6
202.25621	0.8
227.03505	2.6
233.09497	20.4
234.09851	4.2
247.26201	0.7
255.03004	7.3
256.03702	1.7
271.11862	0.6
272.10657	9.4
273.10446	1.8
274.08588	1.0
283.02502	3.3
284.03271	6.2
285.03955	1.7
298.08316	0.7
315.05722	5.4
315.11227	39.2
315.15878	3.6
316.11734	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	315.0731
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.24889	1.2
59.01264	1.6
60.78788	1.1
62.66022	1.1
64.93610	1.3
69.67119	4.2
69.67539	4.1
71.01257	1.6
71.52657	1.5
97.50748	1.2
98.20562	1.6
107.63975	1.2
108.02076	46.5
109.02872	68.5
110.03206	2.4
115.93205	1.1
117.03392	2.8
119.04930	1.5
121.02917	2.0
123.00927	1.2
123.04443	4.4
123.54116	1.2
133.02884	2.7
136.15683	1.1
145.02856	4.6
152.01105	28.5
153.01883	100.0
153.05476	4.8
154.02257	2.8
161.02435	1.9
199.58904	1.1
315.07297	58.1
315.15897	9.1
316.07504	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	315.0519
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
59.01276	1.8
59.01493	0.4
63.01988	0.5
63.02280	5.6
65.00218	3.1
68.34939	0.4
71.01273	4.1
71.60384	0.3
73.02810	0.7
83.01275	5.4
85.02818	1.7
95.01273	0.8
99.00735	0.4
101.02335	2.0
101.05141	0.4
102.98441	0.7
107.01299	10.8
108.02066	1.6
113.02352	1.8
117.03349	0.5
119.04897	0.6
120.02087	0.4
123.00792	0.7
124.01551	1.6
125.02373	0.4
131.72736	0.5
135.00761	0.9
136.01541	1.2
141.85796	0.3
145.02843	1.2
145.78490	0.4
148.01611	4.1
149.99490	1.4
151.00316	16.1
152.00758	0.7
154.43748	0.4
161.02298	0.7
161.04524	1.8
163.00340	2.6
164.01109	5.5
169.01393	2.6
182.30843	0.4
183.04466	0.9
199.03867	0.7
200.04698	0.4
202.02670	0.6
211.03958	0.7
215.03520	0.6
216.04234	1.2
227.03532	3.0
228.04086	0.7
243.02986	2.7
244.03557	1.2
255.03008	2.4
256.03400	0.5
271.02570	4.9
272.03290	1.8
283.02509	2.9
284.02872	0.6
299.02072	1.2
300.02826	76.9
301.03116	6.5
315.05185	100.0
315.15521	3.6
316.05499	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	313.2391
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
57.03335	0.6
59.01266	4.7
59.30239	0.4
64.09117	0.4
68.80747	0.4
71.01274	1.4
71.56248	0.7
81.03368	1.3
82.34921	0.4
83.04889	0.5
89.02341	1.2
95.04935	0.6
97.02856	0.8
97.06490	2.0
101.02331	1.3
103.13784	0.4
104.11623	0.4
105.47264	0.4
107.04942	1.1
109.02857	3.0
113.02399	0.7
117.03373	0.8
119.04951	0.8
121.02884	1.3
122.03680	2.4
123.04435	1.6
125.09634	1.0
125.94982	0.5
127.11192	1.1
133.02937	0.6
139.11208	0.7
145.02902	5.2
147.08165	0.5
151.03989	0.5
155.10709	7.0
157.12259	0.6
158.03693	1.2
161.09668	1.1
163.03928	0.8
168.16905	0.5
171.10217	4.3
172.01552	1.2
173.09718	0.9
183.13931	0.6
186.03172	1.5
187.11314	1.1
189.05536	1.0
189.12816	23.5
190.13120	2.0
191.07092	10.6
191.19499	0.5
192.07408	0.8
198.03224	1.3
202.35262	0.5
203.14369	1.6
205.08685	20.7
206.09029	2.0
207.10243	0.9
213.01810	0.6
214.02716	2.0
221.08076	0.7
241.01454	11.3
242.02191	12.2
243.02724	1.5
243.13913	1.3
245.00908	6.0
246.01303	0.6
253.09325	1.7
269.19211	2.9
270.01715	13.9
271.02167	1.7
271.19135	0.6
277.21750	1.0
285.04160	3.2
295.19550	0.6
295.22845	11.1
296.23071	1.1
298.01276	3.5
311.22421	1.2
313.03625	33.5
313.14597	6.1
313.18155	78.0
313.23911	100.0
314.04007	5.3
314.15155	0.8
314.18509	9.9
314.24173	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	313.2393
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
52.05769	1.7
57.03332	2.3
59.01261	8.7
67.71559	1.4
71.01262	4.1
71.20711	2.3
71.21051	2.2
87.06435	1.5
89.02335	3.8
97.02855	5.8
101.02349	2.2
111.04409	2.1
117.03394	3.3
119.04955	3.1
120.86676	1.7
121.02888	2.2
125.09640	5.8
145.02917	20.6
145.15569	1.4
151.11195	4.3
157.08426	1.4
161.04553	1.5
185.00739	2.1
185.11763	1.8
201.12852	7.3
208.58896	1.5
251.23787	3.4
253.09262	2.8
269.19019	2.8
295.22845	100.0
296.23157	9.3
313.14490	21.2
313.18048	21.4
313.23926	3.8
314.14813	2.0
314.18433	3.3
335.62463	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	313.2392
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01265	100.0
60.01609	0.8
71.01272	0.9
71.56844	0.7
73.02859	0.4
89.02360	0.4
91.02139	0.6
99.04430	0.6
113.02352	0.4
117.03358	1.0
119.04952	0.4
121.02901	0.4
124.01578	0.4
134.03642	0.4
135.04428	1.1
145.02892	4.3
178.02603	0.4
179.03421	1.1
185.00768	1.2
201.11299	0.4
205.08752	0.4
225.22247	1.4
242.02594	0.4
245.11967	0.5
253.09326	0.9
253.19333	0.5
253.21785	6.1
254.22176	0.4
270.01947	0.4
271.22845	44.0
272.23154	3.8
279.07333	0.4
313.03543	1.0
313.13953	4.4
313.17487	2.6
313.23901	19.0
314.14896	0.7
314.24185	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	313.2392
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03335	0.5
59.01269	2.8
62.15845	0.3
63.91436	0.3
69.88467	0.4
71.01277	0.9
71.39625	0.5
75.00777	0.7
78.36175	0.4
81.11198	0.4
85.02798	0.5
89.02340	0.7
97.06506	0.4
106.41366	0.4
120.22653	0.4
121.02864	1.1
125.09677	0.8
127.11220	0.9
127.56644	0.4
135.04475	0.5
139.11212	0.9
145.02921	2.5
148.05182	1.2
149.05582	1.6
155.10712	3.3
171.10219	4.3
178.04979	0.7
179.05444	0.7
189.12851	4.6
191.05510	0.7
191.07158	1.3
205.08679	3.6
207.10046	0.5
253.09308	1.6
261.77942	0.4
267.23413	0.7
277.21780	1.0
295.22852	7.2
296.23245	0.5
298.10529	0.5
311.22238	0.8
312.22809	0.5
313.12833	2.5
313.14111	2.3
313.18494	11.6
313.23932	100.0
314.18692	1.8
314.24271	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2393
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01258	3.3
60.06708	0.3
61.98726	0.4
70.46862	1.0
71.01255	0.7
81.03342	0.4
83.04911	0.5
85.93090	0.3
96.10273	0.3
97.06481	0.6
101.02364	0.4
105.30698	0.3
108.02132	0.3
111.07983	0.5
113.09623	0.8
117.03386	1.2
117.50010	0.3
119.04948	0.8
121.02860	0.9
122.03616	0.5
133.02905	0.5
143.10696	1.1
145.02887	5.5
157.08646	1.4
169.12302	7.4
172.01460	0.4
189.12820	6.8
190.13129	0.7
191.07094	2.7
205.08711	6.4
206.09026	0.5
207.10197	0.6
214.02805	0.5
223.15633	0.3
241.01437	2.5
242.02206	3.6
243.02621	0.4
245.01001	1.3
253.09317	1.1
269.19189	1.0
270.01761	3.4
271.02316	0.6
271.19293	1.1
277.21780	1.3
285.04114	1.3
295.22861	13.4
296.23203	1.4
298.01245	0.5
311.22354	1.1
313.03638	8.4
313.14493	5.8
313.18134	19.1
313.23901	100.0
314.04355	1.0
314.14902	1.4
314.18475	2.5
314.24274	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	313.2392
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03355	0.4
59.01263	2.3
59.05428	0.4
59.75629	0.3
71.01282	0.6
71.33238	0.4
71.50013	0.6
75.62069	0.4
80.44110	0.3
83.04930	0.8
85.02840	0.4
89.02328	0.4
91.02072	0.4
92.05090	0.3
97.02860	0.8
101.02349	0.6
102.95252	0.3
111.04433	0.6
111.08067	0.5
113.09650	0.5
113.20558	0.4
117.03372	2.1
118.77686	0.4
119.04941	0.8
121.02863	0.7
123.08089	2.0
124.01575	0.6
125.09642	3.2
133.02917	0.5
139.11230	0.6
141.09142	1.5
141.12793	5.0
145.01823	0.6
145.02895	7.9
146.03316	0.4
153.12764	0.9
155.14351	2.5
161.02307	0.6
163.03992	0.7
165.84190	0.3
169.15910	0.6
183.45828	0.4
184.01550	0.5
185.00609	2.9
186.01266	0.4
201.12784	0.8
237.22279	1.1
239.23714	0.4
241.01512	0.5
242.02171	0.5
249.22220	2.6
251.07904	0.4
251.23842	14.0
251.26505	0.7
252.24182	1.2
253.09222	0.9
267.23438	1.7
269.15582	0.5
269.19110	0.3
269.24905	0.6
270.01694	0.8
273.95422	0.4
284.17416	0.4
287.74835	0.4
295.22852	5.7
298.64240	0.4
313.03696	2.1
313.14468	5.9
313.17642	7.6
313.23904	100.0
314.14886	1.3
314.18445	0.7
314.24246	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	313.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08861	0.3
57.03326	0.8
58.00469	0.9
59.01258	4.3
69.40333	1.6
69.40757	1.5
71.01267	0.5
73.02824	0.4
81.87775	0.3
83.04897	0.5
97.06490	0.5
99.08036	0.4
101.02290	0.5
113.09560	0.3
117.03389	1.6
119.04888	0.8
121.02862	0.6
122.19849	0.3
123.08022	0.6
124.01559	1.9
125.09649	5.1
126.09967	0.5
127.11217	8.6
128.11542	0.6
129.09183	0.4
133.02835	0.4
137.09637	1.1
139.11221	1.6
141.12801	0.7
145.02893	7.3
146.03232	0.4
153.09088	0.6
155.10703	3.6
157.12308	1.0
161.02370	0.6
163.03979	0.5
165.09178	3.0
171.10234	8.5
172.10541	0.8
173.10619	0.5
183.10175	0.9
189.12866	0.5
199.09798	2.5
199.12343	0.6
201.11305	49.5
202.11595	2.1
212.13759	0.5
213.14009	1.1
241.01448	0.4
253.09315	0.4
270.01907	0.5
277.21820	5.4
278.22183	0.5
295.22672	5.3
313.03723	0.9
313.14523	8.9
313.23874	100.0
314.14877	0.8
314.24231	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	3.0
59.01257	1.6
71.01244	0.5
71.33631	1.0
97.06512	0.8
99.08058	20.3
100.08373	0.7
101.09573	0.5
111.08095	0.5
113.09560	0.5
127.07575	3.9
129.09135	22.0
130.09480	0.7
145.02911	0.8
183.13873	41.7
184.14166	2.3
195.13850	3.6
277.21747	3.7
295.22855	8.8
296.23279	0.6
299.59711	0.4
313.23911	100.0
314.24203	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	313.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.8
60.39072	0.1
71.01270	0.3
71.58290	0.1
73.43764	0.1
77.03852	0.3
81.03350	0.3
85.02876	0.1
85.19086	0.1
89.02343	0.3
93.03363	0.4
97.02860	0.1
99.04414	0.2
101.02353	0.3
108.02071	0.2
109.02900	0.2
119.03448	0.1
121.02879	100.0
122.03175	4.1
135.08122	0.1
139.11218	0.2
143.44580	0.1
145.02933	0.6
147.08092	0.2
151.07491	0.1
159.08128	0.1
161.09671	0.3
173.09712	0.4
180.05782	1.1
181.06561	4.4
182.06900	0.4
187.11287	0.2
189.05583	0.3
189.12831	6.9
190.13217	0.6
191.07104	2.4
191.15942	0.1
199.00664	0.1
205.08699	5.8
206.09052	0.3
207.10281	0.1
221.08084	0.1
225.05585	6.3
226.05960	0.7
243.14017	0.2
253.09422	0.6
269.08234	0.3
269.19235	0.9
313.07269	15.7
313.18155	15.5
313.23990	0.4
314.07587	2.1
314.15091	0.2
314.18475	1.8
332.97546	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	313.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	2.9
71.01218	0.7
81.03353	1.7
81.35500	0.6
83.04931	0.7
89.02332	0.9
97.06490	0.9
99.04438	0.7
108.02056	0.6
109.02860	1.1
120.43832	0.4
121.02911	0.5
122.03653	4.8
123.04467	0.6
133.10167	0.8
135.08090	1.2
139.11166	0.7
145.02866	1.6
159.08096	1.0
161.09720	1.1
163.11218	0.7
171.07994	0.7
173.09663	1.8
187.11243	1.3
189.05545	1.4
189.12825	45.2
190.13194	2.4
191.05479	0.9
191.07120	14.3
203.14360	0.7
205.08687	33.4
206.08975	2.4
207.10294	1.2
243.13902	1.9
253.09341	1.8
269.19107	4.8
270.19577	0.8
285.18707	0.6
298.54575	0.5
313.18149	100.0
314.18472	12.7
321.37302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10828	0.2
69.52493	0.2
69.94055	0.8
81.03342	1.6
89.62080	0.2
91.15475	0.2
95.04923	0.3
97.02853	0.5
97.06499	0.7
99.04428	0.7
107.04942	0.3
108.02077	0.6
109.02859	0.7
109.06502	0.4
121.06506	0.3
122.03661	4.6
123.04413	0.7
125.86170	0.2
127.66726	0.2
133.10138	0.3
135.08092	1.2
143.08676	0.2
144.05847	0.3
145.06519	0.2
147.08084	0.9
151.03960	0.2
151.07565	0.2
157.06627	0.2
159.08165	1.1
161.09676	2.5
163.03938	0.2
169.10234	0.4
171.08119	0.5
173.09703	2.4
177.09212	0.3
187.11272	1.7
189.05560	1.4
189.12825	45.0
190.13155	2.5
191.07111	14.5
191.14287	0.2
192.07417	1.0
193.05078	0.3
203.07045	0.2
205.08691	37.2
206.09070	2.3
207.10237	1.1
221.08177	0.6
241.16040	0.2
243.13898	1.6
244.14221	0.2
245.43222	0.2
250.68918	0.2
251.17987	0.3
267.17505	0.2
269.19180	4.6
270.19513	0.3
283.17108	0.4
285.18658	0.6
295.17050	0.2
313.18170	100.0
314.18512	11.2
314.23892	0.2
335.59064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
59.01264	0.6
71.44128	0.4
81.03356	1.1
82.71635	0.2
83.04961	0.3
93.03395	0.3
95.04919	0.2
97.02842	1.9
97.06506	0.5
105.07034	0.3
107.04907	0.4
108.02087	0.5
109.02856	1.4
117.03381	0.6
119.04981	0.3
119.31467	0.2
121.02853	0.3
121.06505	0.3
122.03655	3.8
123.04445	0.9
129.18539	0.2
133.06517	0.4
133.10149	0.3
135.08078	0.9
145.02893	3.5
145.06575	0.4
147.08092	0.6
159.08073	0.7
161.09650	1.7
163.03952	0.4
170.03596	0.3
173.09691	2.4
177.09193	0.3
187.11340	1.4
189.05548	1.1
189.12822	33.4
190.13170	1.5
191.07106	11.3
192.07489	1.0
201.12793	0.3
203.14473	0.7
205.08688	28.4
206.09093	1.6
207.10242	1.1
214.02702	0.4
221.08171	0.6
241.01506	1.8
242.02205	1.9
243.02776	0.4
243.13943	1.4
245.00981	0.8
251.18169	0.3
269.16049	0.3
269.19131	4.4
270.01758	2.0
270.19574	0.3
271.02588	0.5
277.67520	0.2
283.17044	1.4
285.04105	0.6
285.18637	2.5
286.18903	0.3
295.17233	0.5
298.01260	0.5
313.03763	4.8
313.18146	100.0
314.04095	0.8
314.15268	0.4
314.18481	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.2
61.93055	0.4
65.96556	0.4
70.77634	1.3
70.94044	0.4
71.01263	0.6
71.08715	0.4
72.99174	0.5
76.76370	0.4
81.03344	1.6
89.02338	0.5
95.04926	0.6
97.02863	0.9
97.06464	0.6
99.04420	1.2
109.02845	1.0
109.06476	0.6
121.02850	1.6
122.03669	4.6
123.04436	1.3
135.08081	1.0
139.11182	0.6
140.45052	0.5
143.08554	0.5
145.02887	2.2
147.08141	0.7
159.08076	0.8
161.09663	1.6
173.09642	2.3
187.11288	1.6
189.05568	1.4
189.12825	41.6
190.13130	2.2
191.07111	14.4
192.07535	0.5
205.08691	32.3
206.09074	1.9
207.10176	1.8
221.08141	0.8
243.13931	1.2
253.09367	1.8
269.19122	4.4
270.19531	0.6
277.21561	0.4
313.18161	100.0
314.18481	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	313.0726
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01258	1.8
61.81157	0.2
70.23535	0.2
70.62967	0.8
71.01267	0.4
77.03864	0.2
78.62989	0.2
82.53654	0.2
82.54942	0.2
117.03398	0.3
119.04899	0.3
121.02875	100.0
122.03168	3.1
145.02925	1.5
145.25357	0.2
158.03619	0.3
172.72209	0.2
180.05762	0.9
181.06551	5.2
189.12799	2.0
191.07135	0.7
198.03249	0.4
199.07739	0.3
205.08743	1.6
212.80652	0.3
214.02701	0.5
218.56383	0.2
225.05586	6.8
226.06041	0.3
241.01439	2.5
242.02213	2.9
245.00954	1.0
269.08173	0.2
269.19040	0.2
270.01767	2.5
274.47226	0.2
285.04025	0.5
298.01291	0.6
312.22717	1.0
313.03638	6.4
313.07297	19.7
313.14618	1.6
313.18173	5.8
313.23740	1.9
314.03946	0.6
314.07626	1.7
314.18506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.036
Annotation	2,3,8,10-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one
Peak:m/z	Relative Intensity
55.01768	0.6
57.03328	0.6
58.99490	0.6
59.01266	6.9
63.02279	0.6
65.00220	0.6
71.01269	10.7
71.57092	0.6
72.19758	0.3
72.99205	0.9
73.02839	3.7
75.00780	0.5
83.01260	2.3
83.04931	0.4
85.02845	5.2
87.00773	0.6
88.03883	0.4
89.02338	1.5
94.36583	0.4
94.87630	0.3
95.01272	1.2
96.95918	0.8
99.00790	2.0
101.02345	8.3
102.98502	4.1
107.01289	0.9
113.02354	4.8
117.03371	4.1
119.03391	0.6
119.04915	1.7
121.02847	1.2
125.02351	0.5
130.08623	0.6
133.02888	1.0
134.03641	0.4
135.04433	0.6
139.11147	0.6
143.03384	0.4
144.02116	0.4
145.02887	14.2
146.03616	0.6
151.00354	1.1
151.11240	0.9
158.03699	3.4
159.02910	0.8
161.02438	1.8
161.04492	3.7
162.03165	0.5
163.00520	0.5
163.03960	1.4
167.10716	0.5
170.03714	1.8
172.01616	3.8
174.03125	0.4
185.02371	1.0
186.03210	5.1
187.77429	0.4
189.01909	2.0
190.02661	0.4
198.03185	4.5
199.03856	0.5
201.01900	0.8
202.02757	0.6
205.03587	0.5
213.01869	1.1
214.02718	8.7
215.03314	0.7
216.00620	1.8
217.01361	0.5
218.02164	1.2
226.02728	1.6
227.03493	0.6
229.01427	0.5
241.01437	33.8
242.02205	42.0
243.02794	4.8
245.00937	18.6
246.01208	0.9
253.09331	1.1
257.04538	0.9
270.01746	46.3
271.02274	5.0
273.00552	1.0
282.01758	1.1
285.04102	10.7
286.04587	0.8
298.01263	9.3
299.01749	0.6
313.03607	100.0
313.14371	15.3
313.17450	1.4
314.04062	10.0
314.15033	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.036
Annotation	Rhodolamprometrin
Peak:m/z	Relative Intensity
59.01255	1.0
63.02290	0.8
65.00224	0.8
69.89735	0.8
69.90141	1.2
71.01245	0.3
72.58492	0.3
83.01279	0.4
96.95944	0.7
98.19830	0.3
98.95504	1.1
98.96336	0.4
101.02357	0.5
107.01304	1.2
130.04184	0.5
132.02126	0.6
133.02878	0.7
135.00810	0.4
135.04477	0.6
137.76057	0.3
145.02896	1.9
149.99591	0.5
151.00267	1.0
157.02933	0.4
158.03693	3.1
161.02409	1.6
170.03674	1.7
171.04443	0.7
172.01593	3.4
173.02214	0.4
174.03154	0.8
185.02397	0.8
186.03206	5.7
187.03909	0.4
189.01895	1.5
190.02693	0.4
191.05495	0.4
197.02324	0.4
198.03198	4.2
199.03925	2.2
200.01196	0.5
201.01917	1.1
202.02538	0.5
203.03670	0.3
213.01901	1.0
214.02711	8.0
215.03392	1.8
216.00644	1.9
217.01466	0.7
218.02156	0.9
225.01917	0.6
226.02716	1.4
227.03412	1.1
229.01474	0.4
241.01456	34.0
242.02216	47.0
243.02925	10.4
245.00937	16.7
246.01302	1.1
255.02701	0.5
257.04645	2.1
270.01758	47.9
271.02448	12.2
273.00519	0.9
282.01849	1.2
285.04114	15.0
286.04782	1.9
298.01242	8.6
299.01883	2.0
313.03616	100.0
314.04218	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.036
Annotation	Rhodolamprometrin
Peak:m/z	Relative Intensity
59.01265	3.1
62.77194	0.6
65.00214	0.9
70.76804	0.7
71.57408	0.7
71.57792	0.9
79.01785	0.7
83.01270	0.8
83.60374	0.6
107.01303	1.0
117.03394	1.0
119.04946	1.0
120.14935	0.7
121.02862	2.2
145.02893	5.9
151.52687	0.7
156.86282	0.6
158.03658	2.2
161.02440	0.8
161.04446	0.7
170.03679	1.8
172.01688	3.3
184.72485	0.6
186.03165	3.8
189.01984	1.5
189.12791	1.9
191.07079	1.2
198.03194	3.5
205.08662	0.9
214.02664	8.5
216.00668	1.2
217.01569	0.7
227.03416	0.9
241.01445	34.8
242.02209	40.2
243.02798	5.9
245.00938	17.1
246.01395	1.1
253.09448	0.7
257.04544	1.1
270.01758	40.4
271.02283	7.1
273.00461	1.3
282.01819	1.3
285.04099	9.2
286.04428	0.8
298.01318	7.9
299.01782	0.9
310.43826	0.7
313.03607	100.0
313.14478	5.7
313.18146	5.5
313.23904	2.3
314.04074	11.9
314.18304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.036
Annotation	Rhodolamprometrin
Peak:m/z	Relative Intensity
51.52723	0.1
59.01250	0.6
63.02274	1.0
65.00234	0.6
71.01264	0.3
83.01273	0.3
89.41370	0.2
95.01279	0.2
96.82978	0.2
101.01384	0.2
101.02341	0.3
107.01283	1.1
117.03357	0.2
119.64738	0.2
129.96730	0.2
130.04185	0.3
132.02095	0.2
133.02873	0.4
134.00031	0.3
135.00751	0.2
142.04178	0.7
144.02164	0.5
145.02925	0.9
146.03711	0.2
147.04477	0.2
148.01646	0.2
149.99507	0.4
151.00287	1.2
155.05019	0.2
157.02911	0.2
158.03683	2.9
160.01616	0.3
161.02425	0.9
162.03207	0.2
163.00363	0.3
165.38585	0.2
168.75558	0.2
169.02884	0.3
170.03722	1.6
171.04417	0.8
172.01614	3.9
173.02286	0.6
174.03152	0.4
175.03938	0.4
182.03714	0.3
182.08377	0.2
183.04420	0.3
185.02408	1.2
186.03186	6.0
187.03796	0.5
187.27832	0.2
189.01880	1.5
190.02570	0.3
192.00658	0.3
197.02449	0.8
198.03215	4.6
199.03992	1.7
200.01108	0.3
201.01955	1.5
202.02719	0.5
203.03462	0.4
210.03180	0.3
213.01915	0.6
214.02701	8.5
215.03415	2.1
216.00601	1.9
217.01460	0.8
218.02179	0.7
225.01849	0.3
226.02744	1.6
227.03485	1.6
229.01382	0.5
241.01442	35.3
242.02206	48.6
243.02919	11.5
245.00931	15.5
246.01268	0.9
254.02298	0.3
255.03142	0.3
257.04599	2.5
269.01141	0.2
270.01746	44.6
271.02423	11.6
273.00470	0.9
274.01099	0.3
282.01700	1.2
283.02121	0.2
285.04111	14.3
286.04779	2.2
298.01251	8.1
299.01837	2.3
313.03598	100.0
314.04190	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	313.036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52723	0.1
59.01250	0.6
63.02274	1.0
65.00234	0.6
71.01264	0.3
83.01273	0.3
89.41370	0.2
95.01279	0.2
96.82978	0.2
101.01384	0.2
101.02341	0.3
107.01283	1.1
117.03357	0.2
119.64738	0.2
129.96730	0.2
130.04185	0.3
132.02095	0.2
133.02873	0.4
134.00031	0.3
135.00751	0.2
142.04178	0.7
144.02164	0.5
145.02925	0.9
146.03711	0.2
147.04477	0.2
148.01646	0.2
149.99507	0.4
151.00287	1.2
155.05019	0.2
157.02911	0.2
158.03683	2.9
160.01616	0.3
161.02425	0.9
162.03207	0.2
163.00363	0.3
165.38585	0.2
168.75558	0.2
169.02884	0.3
170.03722	1.6
171.04417	0.8
172.01614	3.9
173.02286	0.6
174.03152	0.4
175.03938	0.4
182.03714	0.3
182.08377	0.2
183.04420	0.3
185.02408	1.2
186.03186	6.0
187.03796	0.5
187.27832	0.2
189.01880	1.5
190.02570	0.3
192.00658	0.3
197.02449	0.8
198.03215	4.6
199.03992	1.7
200.01108	0.3
201.01955	1.5
202.02719	0.5
203.03462	0.4
210.03180	0.3
213.01915	0.6
214.02701	8.5
215.03415	2.1
216.00601	1.9
217.01460	0.8
218.02179	0.7
225.01849	0.3
226.02744	1.6
227.03485	1.6
229.01382	0.5
241.01442	35.3
242.02206	48.6
243.02919	11.5
245.00931	15.5
246.01268	0.9
254.02298	0.3
255.03142	0.3
257.04599	2.5
269.01141	0.2
270.01746	44.6
271.02423	11.6
273.00470	0.9
274.01099	0.3
282.01700	1.2
283.02121	0.2
285.04111	14.3
286.04779	2.2
298.01251	8.1
299.01837	2.3
313.03598	100.0
314.04190	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	311.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91701	0.4
58.01421	0.5
59.00998	0.7
59.01269	11.5
60.32223	0.5
64.61286	0.5
69.55039	1.2
69.55446	3.1
70.91317	0.5
71.01260	1.2
83.01268	0.6
83.71172	0.4
97.06489	10.3
101.02323	0.6
149.05986	3.0
159.14217	0.6
164.29541	0.4
177.12817	0.6
183.13870	10.7
186.06970	1.0
193.12202	0.5
195.13882	29.3
196.14261	1.9
209.75529	0.6
211.13402	27.3
212.13724	1.7
213.14967	15.8
214.06392	0.8
214.15306	0.9
251.11403	1.6
263.20200	12.0
264.20554	1.4
275.20331	0.7
281.21262	2.4
293.21356	1.6
302.88629	0.5
311.22351	100.0
312.22693	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	311.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43845	0.5
53.48021	0.6
57.03335	1.4
59.01250	1.8
69.97030	2.1
83.04924	0.7
86.86987	0.5
87.73351	0.5
88.90455	0.5
97.02855	0.8
97.06513	0.7
99.08060	1.2
103.99552	0.5
111.54300	0.6
113.09625	3.6
114.06767	0.5
114.24022	0.5
121.10128	2.0
124.01524	0.8
125.09669	2.5
127.11199	2.0
137.09644	1.2
139.11226	16.4
140.11557	1.0
153.09135	0.6
155.10713	1.4
163.11249	1.0
167.10759	1.1
171.10225	36.1
172.10556	1.3
183.10289	0.9
185.11777	3.2
193.12140	0.5
195.13907	0.7
197.11713	0.9
199.49551	0.6
201.11324	2.9
210.92876	0.5
211.13380	3.0
249.22314	1.3
275.20209	1.8
293.21292	28.0
294.21603	2.4
300.93063	0.6
311.22339	100.0
312.22684	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.5
59.01271	5.6
69.03342	0.9
71.01280	0.3
71.51334	0.4
73.02831	0.5
75.00800	0.3
83.04910	0.7
97.06506	0.4
99.08064	1.7
101.02338	0.4
111.08086	0.4
113.09636	1.8
121.10163	0.5
121.39599	0.3
123.08015	0.8
125.09657	1.9
127.07525	0.4
127.11224	3.5
129.09125	3.0
130.09776	0.3
137.09686	0.5
139.11220	7.0
141.09158	0.3
142.68990	0.3
149.06036	1.8
151.11255	0.8
153.09081	0.5
155.10710	1.9
161.04550	0.6
165.09172	0.7
167.10756	0.9
169.12294	1.1
171.10231	33.2
172.10509	1.5
181.12292	1.5
183.10226	2.7
183.13849	0.8
185.11789	5.8
193.12274	0.8
197.11816	5.0
199.13388	2.0
201.11304	6.2
211.13390	8.1
214.06291	0.4
231.21254	0.5
247.20799	0.4
249.22205	0.6
251.11305	0.5
265.21820	1.0
275.20209	3.3
293.21307	13.1
294.21738	0.8
311.22351	100.0
312.22696	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	311.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	2.0
57.08200	0.7
59.01272	3.1
69.99792	3.1
98.19938	0.8
98.96231	0.8
105.85576	0.9
112.98053	0.7
120.48705	0.8
121.10132	1.5
123.08085	1.5
124.01560	2.4
125.09653	2.5
127.11199	5.7
137.09673	1.3
139.11224	14.4
151.11214	1.3
153.09146	1.2
155.10747	4.3
171.10231	70.1
172.10582	2.2
183.10269	5.9
185.11797	17.6
186.12050	1.1
201.11359	10.6
265.22003	0.9
275.20200	6.6
276.20483	1.0
293.21350	20.8
294.21741	1.9
311.22366	100.0
312.22717	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.0
59.01274	4.9
63.48915	0.7
69.32185	0.7
71.33477	1.8
71.33832	0.9
76.60075	0.8
93.37010	0.8
97.02815	1.3
97.06490	3.1
99.08067	3.5
108.09238	0.8
113.09646	2.4
113.11304	0.7
121.10080	1.1
125.09628	1.4
127.11225	1.8
129.09145	3.1
137.05969	1.2
139.11234	6.1
143.07089	3.5
149.05956	1.0
155.07089	1.3
155.10681	1.6
162.33556	0.7
167.10681	1.2
169.12357	1.3
171.08769	1.3
171.10220	21.1
173.08160	2.8
181.12312	2.2
183.10272	1.3
183.13866	1.2
185.11816	2.6
192.03984	0.9
193.12300	7.7
197.11859	3.2
199.13329	3.0
201.11317	2.0
211.13380	8.6
265.21460	1.0
275.20248	2.8
293.21326	19.7
294.21576	1.5
311.22354	100.0
312.22647	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	311.2236
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.94299	0.2
57.03348	1.5
59.01266	3.4
69.03333	0.5
69.67243	0.4
69.67649	1.4
71.01294	0.5
71.04906	0.2
77.62708	0.3
83.04915	0.8
110.05180	0.2
111.08039	0.6
123.08025	0.6
130.72090	0.2
141.09126	0.4
149.06026	4.0
151.11224	1.3
153.09134	0.4
153.12750	0.8
155.10716	0.6
157.12234	1.5
161.04474	0.4
169.12274	2.1
169.15967	1.4
170.16309	0.3
171.10153	0.3
179.14397	0.3
197.11797	2.2
197.26556	0.3
213.15030	0.5
249.18607	0.8
251.11409	0.4
263.20117	1.6
267.23373	0.2
275.20218	2.8
291.19769	0.3
293.21286	6.0
294.21555	0.5
303.12677	0.2
309.20779	0.5
311.22336	100.0
312.22693	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	311.2237
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
56.91701	0.4
58.01421	0.5
59.00998	0.7
59.01269	11.5
60.32223	0.5
64.61286	0.5
69.55039	1.2
69.55446	3.1
70.91317	0.5
71.01260	1.2
83.01268	0.6
83.71172	0.4
97.06489	10.3
101.02323	0.6
149.05986	3.0
159.14217	0.6
164.29541	0.4
177.12817	0.6
183.13870	10.7
186.06970	1.0
193.12202	0.5
195.13882	29.3
196.14261	1.9
209.75529	0.6
211.13402	27.3
212.13724	1.7
213.14967	15.8
214.06392	0.8
214.15306	0.9
251.11403	1.6
263.20200	12.0
264.20554	1.4
275.20331	0.7
281.21262	2.4
293.21356	1.6
302.88629	0.5
311.22351	100.0
312.22693	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	311.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87659	0.4
52.54795	0.4
53.87283	0.4
57.03329	2.0
57.07220	0.4
57.50346	0.4
58.72380	0.3
59.01266	6.6
71.01275	0.7
71.56866	0.4
73.19052	0.4
74.51132	0.3
76.54903	0.4
81.83092	0.4
83.04919	0.8
85.06480	0.8
95.04939	0.4
99.08078	0.4
121.10134	0.7
125.09634	0.5
129.09155	0.7
142.57967	0.4
149.06026	3.5
161.04636	0.5
171.10245	9.4
177.12747	0.5
179.14368	0.8
181.12328	0.5
181.15904	0.5
185.11876	0.8
195.13901	9.3
196.14203	0.4
209.15410	1.3
221.15436	0.5
235.17061	5.8
236.17482	0.6
246.26949	0.4
249.18582	0.7
251.11372	0.8
253.18092	1.8
263.20157	0.9
273.25388	0.4
275.20239	6.5
293.21307	11.9
294.21524	1.1
311.22354	100.0
312.22708	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	311.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.3
59.01265	13.6
60.55136	0.6
61.98714	0.8
69.03346	1.1
71.01276	1.4
71.04874	0.6
71.59599	1.0
79.21639	0.6
83.04910	1.0
85.02833	0.7
101.02329	1.3
107.04871	0.9
114.77038	0.6
122.16631	0.6
125.09621	0.7
139.11249	1.4
141.12767	1.0
149.06021	11.0
150.06375	0.9
155.10728	2.2
157.08655	2.7
161.04478	0.8
161.15204	0.7
171.10226	14.6
183.10229	14.6
194.48018	0.6
195.13802	1.1
211.13329	2.0
237.18573	1.7
249.18736	1.4
251.11295	1.3
263.20206	2.1
275.20233	4.6
281.21280	0.9
293.21304	18.6
294.21710	1.6
311.17078	6.1
311.22342	100.0
311.29807	2.4
312.17014	1.1
312.22601	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	311.2235
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
51.30494	1.2
53.66190	1.0
57.03325	2.7
59.01252	3.1
70.35488	1.5
70.35837	4.2
82.29398	0.9
94.52353	1.2
97.06521	2.1
115.77695	1.2
125.09642	7.0
141.12802	1.9
149.06006	2.3
149.09637	3.1
170.00243	1.2
171.10220	1.2
183.01180	51.8
184.01782	4.7
185.11781	18.0
185.13257	1.8
197.11783	4.3
216.00905	1.1
225.05891	1.1
293.21304	64.8
294.21652	6.8
311.16937	100.0
311.22522	3.0
312.17355	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	311.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.5
58.00463	0.6
58.14457	0.6
59.01260	3.3
69.62222	0.5
70.62453	1.0
70.62858	1.1
81.38903	0.4
87.45112	0.5
97.06489	2.3
98.19894	0.6
112.92164	0.5
113.09627	5.4
125.09637	2.8
139.11223	17.3
149.06059	1.3
149.09682	1.4
151.11151	0.6
154.82741	0.6
167.10841	0.6
167.14316	1.0
171.10229	22.3
172.10594	1.2
185.11783	5.4
195.13889	1.4
197.11768	1.8
201.86301	0.6
202.74414	0.5
211.13393	30.4
212.13773	1.7
249.22334	1.3
251.11235	0.6
275.19812	1.0
293.21301	100.0
294.21616	8.3
311.22308	6.2
312.22821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2234
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03334	1.4
59.01268	6.9
67.56830	0.6
71.01284	0.7
71.08153	1.7
83.04904	0.7
91.40892	0.6
97.02828	1.2
99.08052	2.2
101.02361	1.2
111.08060	1.0
113.09622	2.1
121.10199	1.0
125.09644	2.0
127.11176	1.7
129.09074	0.7
129.35173	0.7
139.11197	7.8
143.10785	0.6
149.06041	7.7
151.65044	0.7
155.10745	2.4
163.11255	1.1
167.10739	2.9
171.10225	17.4
172.10550	0.7
181.12300	1.1
183.10201	1.4
185.11816	1.1
193.12370	3.2
195.13940	0.8
199.13341	3.1
201.11342	1.2
209.06462	0.7
211.13451	4.8
212.13692	0.7
249.22197	1.8
251.11476	0.7
275.20288	0.8
293.21332	14.8
294.21738	0.8
311.22342	100.0
311.29941	2.1
312.17410	0.8
312.22668	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2235
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.10270	0.3
57.03329	1.8
59.01264	3.5
59.51389	0.3
71.01290	0.4
71.21487	0.5
71.21827	0.6
73.02843	0.5
95.04937	0.3
97.06474	0.5
113.02379	0.4
124.01604	1.0
139.11203	0.6
141.12737	0.6
149.06020	5.1
155.14339	2.3
171.10226	1.5
183.01163	3.0
197.02715	1.5
221.19109	0.5
247.20570	0.4
249.22272	48.3
250.22612	2.9
267.23331	1.5
293.21298	21.5
294.21539	1.8
311.17123	9.7
311.22342	100.0
312.17261	0.7
312.22668	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	311.2024
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.88715	0.2
53.27622	0.2
59.01265	2.0
70.17174	0.8
77.51768	0.2
85.02881	0.2
104.49100	0.2
105.80338	0.2
107.97504	0.2
108.52226	0.2
109.82898	0.2
133.06512	2.3
134.06717	0.2
149.06172	1.8
149.09657	100.0
150.10001	4.6
171.10242	0.3
183.01167	3.7
184.01859	0.3
184.31329	0.2
216.00980	0.3
219.18141	0.2
251.11119	0.3
293.21350	0.2
293.24844	0.4
311.16885	9.0
311.20169	57.5
311.26013	2.3
312.17197	0.7
312.20535	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	311.1873
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
57.03317	0.5
59.01260	2.8
65.05103	0.3
68.28992	0.4
71.01254	0.4
71.04925	0.3
72.51773	0.3
80.52615	0.3
83.04899	0.4
88.04907	0.4
97.06506	1.1
99.08059	0.5
111.08067	0.6
113.09659	1.1
117.12762	0.3
121.02866	1.2
122.03663	1.0
136.05231	0.5
139.11221	0.3
139.70694	0.3
139.86508	0.3
149.06023	1.7
153.12769	0.8
157.08664	1.7
167.14363	2.4
168.96965	0.3
171.10257	0.7
182.19485	0.3
193.15991	0.4
207.17476	0.6
211.13419	1.3
223.20631	1.9
224.20860	0.4
231.17628	0.5
237.82166	0.3
249.18658	5.2
251.11282	0.4
267.19711	100.0
268.20035	8.6
275.16623	7.3
276.16977	0.4
293.17682	36.4
293.21054	3.2
294.18021	2.6
294.21069	0.5
311.18713	43.5
311.22321	14.4
312.19046	4.3
312.22733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66393	1.8
55.78118	1.7
59.01268	100.0
70.82494	4.8
71.01274	7.9
73.02837	2.1
77.10023	1.9
85.02877	2.6
93.12944	2.0
100.15558	1.8
101.02354	8.6
147.85100	1.8
149.06070	2.1
161.04495	8.1
169.56931	2.0
179.99144	2.1
192.08125	2.6
251.11427	27.1
252.11649	2.6
311.22470	2.2
311.29575	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	311.166
Annotation	TRIPTOPHENOLIDE
Peak:m/z	Relative Intensity
50.52530	0.3
57.03331	0.3
59.01270	4.0
63.04755	0.3
65.03854	2.2
67.01772	0.3
71.59750	0.3
80.02559	0.4
81.03349	4.3
83.04929	0.3
84.05791	0.3
95.04944	0.7
97.02882	0.5
101.02332	0.4
105.07024	2.1
107.04941	5.4
108.02069	0.5
109.02860	14.6
110.03135	0.3
111.04432	0.4
117.18951	0.3
119.04989	0.3
121.06488	0.8
123.04435	4.2
123.08076	0.3
143.08589	1.5
146.07320	0.4
149.06012	4.1
151.03951	4.8
157.08665	0.6
161.09662	0.8
165.05530	1.7
171.10249	0.7
249.16475	1.6
251.11478	0.5
267.17462	1.4
275.20126	0.5
293.21338	1.8
311.16586	100.0
311.21863	8.8
312.13272	0.4
312.16956	8.7
312.22702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95690	1.3
57.03346	1.7
59.01266	16.9
65.65886	1.1
70.97839	2.4
70.98197	2.2
71.01265	6.3
71.22164	1.1
73.02819	5.7
73.88887	1.2
78.95813	3.1
81.03357	2.9
85.02839	15.3
89.02336	3.2
92.45928	1.2
93.03340	2.0
96.95921	3.1
101.02361	4.8
103.03918	2.6
105.03443	1.3
107.27237	1.1
117.03400	3.9
117.05484	2.4
121.02866	2.2
132.02090	13.6
133.02885	11.4
134.03667	91.9
135.04088	1.8
135.06554	8.8
136.01558	1.2
137.02356	2.4
138.49304	1.1
148.05312	3.2
149.06029	39.8
150.06335	1.9
159.04561	1.5
160.01605	78.5
161.01971	2.9
163.03998	1.6
175.03960	88.2
176.04257	4.6
177.01958	1.4
179.03438	3.7
193.05032	100.0
194.05359	5.1
197.84383	1.1
251.11481	1.2
283.06152	9.4
296.09030	2.8
311.05984	13.1
311.11459	69.6
311.22281	1.6
312.06079	1.8
312.11899	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	311.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02282	0.4
55.01770	0.7
57.03324	0.6
59.01265	100.0
60.01600	0.6
60.88413	0.4
71.01279	4.7
71.43832	0.9
73.02843	2.1
83.01281	0.7
85.02844	3.1
89.02334	0.6
93.31287	0.4
99.00802	1.0
101.02345	4.1
113.02349	2.3
113.55593	0.4
149.06013	1.0
159.02965	0.5
161.04500	2.9
167.65324	0.3
176.39914	0.5
202.93417	0.4
204.50685	0.4
269.10425	3.2
283.14749	0.4
294.63229	0.4
297.19586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08336	0.4
57.03331	0.4
59.01266	100.0
60.01607	1.3
69.70054	1.8
69.70483	1.4
71.01276	4.7
72.99204	0.5
73.02853	1.8
75.00771	0.4
83.01291	1.0
85.02831	3.3
95.01299	0.6
95.84254	0.5
99.00790	0.5
101.02341	4.3
113.02361	2.1
130.29903	0.5
133.02875	0.6
134.03688	4.9
149.05994	2.5
160.01636	2.4
161.02063	0.5
161.04509	3.4
162.02226	0.6
175.03893	2.0
176.04340	0.7
177.04561	1.4
193.05045	4.9
195.05571	0.5
225.86572	0.5
269.10373	3.7
311.11026	1.7
311.15359	0.5
311.22440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0933
Annotation	R1128B
Peak:m/z	Relative Intensity
51.45222	0.6
59.01261	7.7
61.98745	0.8
70.86902	1.5
70.87230	0.6
71.01270	0.7
71.30689	0.7
72.33592	0.8
91.95438	0.6
93.03359	23.2
96.95914	1.0
96.99212	7.7
115.05448	11.7
117.03386	4.5
119.04946	27.4
120.05242	0.9
121.02856	1.6
123.04436	3.3
130.04175	2.4
131.04953	6.9
133.02881	6.7
143.04964	38.1
144.05270	1.2
145.02907	2.5
145.06509	0.8
147.04465	6.1
149.06061	1.7
158.03654	2.1
161.04478	0.7
163.03954	16.2
171.04453	3.6
189.69147	0.7
193.05006	1.1
195.08107	5.0
206.07376	1.5
207.08125	2.4
219.08154	8.2
220.08742	1.3
221.09732	12.3
222.10176	0.7
223.11301	2.4
235.07695	0.7
247.07722	0.7
248.08327	0.8
249.09247	68.0
250.09570	4.2
251.11411	0.7
265.08621	1.3
267.10358	1.8
293.08261	27.0
294.08673	2.5
311.09317	100.0
311.29489	1.3
312.09637	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0934
Annotation	R1128B
Peak:m/z	Relative Intensity
54.21216	0.3
58.11362	0.3
65.84883	0.4
71.18732	0.7
87.02451	0.3
89.78034	0.3
93.03360	22.0
94.03700	0.4
96.99220	6.9
108.29512	0.3
115.05450	4.8
117.03391	1.4
119.04948	11.7
120.05251	0.6
120.07320	0.4
120.64877	0.3
123.04437	1.0
130.04152	1.2
131.04958	3.1
133.02899	2.7
137.02379	0.5
143.04970	11.5
144.05330	0.5
145.02936	1.7
145.06523	0.6
147.04483	5.2
158.03711	1.1
163.03964	8.6
164.04292	0.4
171.04454	0.5
183.25430	0.4
186.11401	0.4
195.08150	4.5
207.08189	0.8
219.08162	3.4
221.09698	4.9
222.10135	0.6
223.11357	1.4
247.07748	0.4
249.09262	26.1
250.09631	2.1
267.10324	0.7
273.93286	0.4
293.08249	7.5
294.08737	1.2
298.95154	0.3
311.09338	100.0
312.09680	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	311.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	4.0
55.34187	0.4
55.70372	0.3
58.28757	0.3
59.01272	3.2
70.91242	0.3
70.91577	1.1
71.01273	1.5
72.26645	0.4
72.99190	0.4
73.02831	0.4
75.00769	2.7
78.95822	0.3
85.02851	0.9
86.30598	0.3
89.02351	0.9
93.03368	0.9
101.02365	0.7
117.01869	0.4
119.04950	61.9
120.05273	2.5
129.01855	1.6
134.03664	1.1
135.04536	0.7
147.02942	4.8
149.06044	0.8
160.01564	0.8
161.51147	0.3
163.03966	100.0
164.04306	4.9
165.04007	4.8
175.03990	1.0
193.05081	1.6
211.59586	0.4
233.07823	0.4
272.82507	0.4
311.07806	5.0
311.11426	1.3
311.29471	0.6
312.08325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57262	0.6
55.01761	2.5
59.01265	10.5
70.64432	1.5
70.64791	1.0
71.01282	5.6
72.73958	0.6
72.99188	1.0
73.02837	1.5
75.00767	35.0
78.24921	0.5
85.02855	1.3
87.00764	3.6
89.02332	7.2
99.00780	3.6
100.03049	0.5
101.02348	3.7
105.01833	3.2
110.41171	0.6
113.02364	0.9
117.01846	0.6
119.04948	26.1
120.05263	1.0
129.01871	6.1
131.03450	1.8
134.03665	1.8
135.02908	0.6
135.04404	0.8
147.02922	2.4
149.04494	5.1
149.05971	1.5
160.01579	0.9
161.04477	0.8
163.03958	25.3
164.04294	1.3
165.04001	100.0
166.04338	1.8
168.06406	0.6
169.65509	0.5
175.03981	1.9
179.03477	0.8
191.05589	1.9
193.05043	2.1
311.07666	1.9
311.11230	1.1
311.29556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94225	1.1
57.03341	2.8
57.23913	1.3
59.01265	8.7
65.29726	1.3
65.58572	1.2
66.11921	1.3
67.01752	1.9
69.03329	2.0
71.01273	1.8
71.04900	3.1
71.57922	2.0
73.13338	1.2
75.23562	1.3
75.35405	1.3
80.02560	12.1
81.03341	5.3
81.64095	1.2
83.04910	32.8
84.02071	11.0
87.58990	1.3
90.22012	1.4
93.03306	1.7
95.04926	3.2
97.06456	5.8
98.37136	1.4
99.08031	6.1
109.06482	2.2
111.08023	3.1
113.09621	2.3
115.07514	5.4
119.08508	1.8
123.04408	1.6
123.08029	2.2
125.09615	7.4
127.11171	6.1
137.09650	61.1
138.09935	3.1
139.11230	12.6
151.03894	3.0
151.07620	7.1
151.11176	3.2
152.08327	3.9
153.09148	7.1
155.10710	49.7
156.11003	1.6
167.10666	2.4
170.17366	1.4
171.10225	71.0
172.10547	3.4
193.10696	2.3
193.12312	28.6
209.11865	3.2
209.15508	8.3
211.13348	8.4
221.12044	2.4
243.59908	1.6
247.20613	4.6
256.21387	1.4
263.20157	7.0
265.18033	1.8
265.21716	5.3
266.21631	1.5
273.18509	2.4
275.58484	1.3
291.16360	2.2
291.19730	77.9
292.19965	5.2
309.16986	12.6
309.20697	100.0
310.17825	2.4
310.20999	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	311.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44761	2.0
51.79651	2.3
53.14085	2.1
53.92897	1.9
57.60692	1.9
59.01264	20.1
71.01268	4.6
71.57750	2.9
71.63446	2.0
73.02826	2.7
78.95798	8.1
87.00770	2.7
89.02323	3.3
96.96861	8.3
102.44900	2.1
119.04951	64.7
149.06059	3.1
157.39723	2.1
163.03963	100.0
164.04269	3.0
165.04019	10.2
311.22574	3.2
311.29617	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.8
59.01267	10.8
69.03326	2.4
69.40640	3.0
69.41053	10.8
71.01253	3.0
78.07070	1.7
79.08965	1.3
80.02563	9.6
83.04890	2.2
84.02010	3.1
87.04395	1.7
97.06435	4.3
113.65440	1.2
123.08064	17.9
125.09644	19.2
127.11176	6.5
129.34996	1.6
137.09630	17.2
139.11230	8.9
141.12738	3.5
151.03880	3.0
151.07515	5.3
151.11166	1.6
152.08287	3.4
153.09052	4.8
155.10713	56.4
165.12753	2.2
167.10666	6.4
171.10219	94.5
172.10486	4.3
185.11790	100.0
186.12068	4.6
193.15913	3.2
197.11771	1.6
209.11711	4.0
209.15375	6.2
211.65160	1.5
212.10371	3.5
233.97742	1.4
234.80128	1.4
247.20729	7.0
263.20193	8.9
265.21729	4.2
273.18448	3.2
281.21228	16.0
282.21408	1.7
291.16339	2.2
291.19693	43.6
292.20038	2.6
309.16971	10.5
309.20645	53.5
310.17792	1.8
310.20966	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00490	1.4
59.01262	6.0
61.53083	1.2
61.53511	1.4
69.03334	7.5
69.67872	4.7
69.68279	4.3
71.43523	1.1
81.89244	1.1
83.04917	2.5
85.87660	1.2
107.08604	1.9
108.05682	1.3
111.08080	1.6
119.08590	20.9
121.10171	2.6
125.09665	9.0
127.11212	3.5
135.08112	3.0
137.09659	35.1
138.10040	1.8
149.09645	1.2
153.09183	1.4
155.10696	4.0
167.10696	3.9
171.10229	100.0
172.10551	4.4
183.10210	7.4
185.11798	25.8
197.11862	2.3
201.11284	6.8
213.11353	11.9
229.19583	4.8
247.20628	1.5
257.04883	1.3
273.18668	12.7
291.19751	35.8
292.20108	2.8
309.20779	85.2
310.21118	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78143	0.8
57.03338	2.1
59.01276	4.5
67.01765	2.1
69.03332	2.2
70.01808	2.0
70.02226	3.3
71.01273	2.2
71.04902	3.0
73.02801	0.9
73.95987	0.9
78.50128	0.8
78.76435	0.8
80.02572	10.9
81.03349	5.0
81.07016	1.1
83.04922	25.4
84.02072	10.0
95.04932	1.9
97.02856	0.9
97.06492	2.9
99.08078	7.6
109.06491	3.0
109.29923	0.8
109.83620	0.9
110.03645	1.0
111.08069	2.0
113.09625	3.5
115.07563	5.5
119.08572	1.3
123.04439	3.3
125.09644	6.0
127.11199	5.3
135.08101	1.3
137.09659	51.6
138.09944	1.2
139.11215	9.2
151.03932	2.4
151.07565	4.0
151.11205	3.4
152.08345	2.0
153.09180	10.9
153.12767	2.3
154.09912	1.3
155.10728	55.2
156.11064	2.8
165.12842	2.0
167.10757	6.0
169.12288	2.0
171.10231	55.1
172.10516	1.7
183.10249	1.3
193.12325	27.8
195.13933	1.9
209.11717	2.8
209.15475	4.5
211.13335	5.4
247.20683	4.9
252.10077	1.3
263.20230	6.2
265.21756	6.5
273.18552	1.3
281.21112	1.3
291.19748	100.0
292.20142	8.2
309.17270	6.0
309.20770	89.7
309.23749	1.0
310.21103	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27909	0.7
57.03336	1.6
59.01260	1.9
65.36232	0.9
67.01769	1.3
69.03341	6.3
70.36367	3.2
83.04916	3.8
85.02836	3.6
97.02854	48.7
99.00782	3.2
109.06489	1.2
111.08072	3.0
113.09616	1.0
119.08587	8.5
121.10170	0.9
125.09647	3.6
127.11182	1.1
132.36592	0.8
135.08057	2.0
137.09654	24.2
151.03964	10.5
151.07599	17.6
152.08382	20.1
153.08987	1.9
155.10725	1.4
162.43985	0.8
167.10730	1.3
171.10222	49.4
172.10587	2.4
177.12769	1.7
184.07379	2.6
185.11844	7.0
190.09959	1.7
193.08670	2.4
195.10229	1.9
195.13882	3.1
197.11842	2.2
199.09459	1.0
201.77817	0.8
208.11061	3.6
209.15471	29.5
210.15805	1.7
211.13351	2.1
213.11275	1.6
221.11842	5.0
229.19618	1.3
239.12962	4.7
247.20760	1.5
252.10068	5.1
265.18222	5.6
273.18674	7.0
291.16528	1.4
291.19711	26.0
292.20071	2.4
309.17117	53.1
309.20770	100.0
310.17474	4.6
310.21106	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16457	1.2
57.03334	1.9
58.81147	1.1
59.01251	4.0
66.87997	1.0
68.38039	1.0
69.03323	4.7
70.44954	3.9
71.01254	1.2
83.04900	1.8
89.10872	1.0
97.06490	1.3
107.08571	1.7
109.06457	1.2
111.08119	2.2
119.08581	14.4
120.08942	1.5
121.06487	1.2
121.10168	1.1
125.09666	7.6
127.11176	2.3
135.08044	2.0
137.09656	28.1
138.09967	1.1
139.11182	1.6
149.09644	1.1
151.11163	1.7
152.08409	1.5
155.10678	3.6
157.12309	1.3
159.25574	1.0
167.10725	3.9
171.10234	100.0
172.10593	5.3
183.10281	6.0
185.11813	25.7
186.12140	1.4
195.10257	2.0
197.11797	2.9
201.11295	7.8
209.15414	2.2
211.13435	1.6
213.11336	9.3
225.14847	1.5
229.19560	1.6
263.20035	1.4
273.18622	9.8
291.19702	36.4
292.20004	3.4
309.17093	4.6
309.20731	42.7
310.21118	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.6
59.01267	6.1
71.01265	1.1
71.04909	17.1
71.57398	0.8
83.04928	0.8
87.76614	0.7
95.04914	2.8
96.80885	0.6
97.06490	5.3
101.02371	1.0
107.04919	1.3
111.08080	1.3
113.09692	0.7
119.08600	0.9
121.10135	5.7
123.08052	1.8
125.09631	3.8
127.11150	0.9
137.09654	16.5
139.11191	0.7
141.12740	1.6
157.08646	1.1
165.12778	0.8
168.91148	0.7
171.10220	50.9
172.10561	1.4
181.12294	1.4
183.13875	1.6
185.11775	8.2
195.13889	1.1
197.11772	3.1
207.13847	1.7
207.17502	0.9
209.11848	1.4
211.13364	1.5
217.16037	1.1
219.13866	2.2
233.15599	2.0
235.17081	2.4
237.15038	2.8
247.20734	2.0
251.16550	21.4
252.16904	1.8
265.18073	1.0
273.18671	1.8
291.19727	60.6
292.20114	6.2
309.20798	100.0
310.21164	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2082
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
57.03337	4.3
59.01275	11.5
69.03339	1.9
69.30124	3.9
69.30539	10.4
71.01257	2.2
80.02570	9.8
83.04916	2.6
84.02085	2.3
85.02870	1.4
95.04936	1.7
97.06497	4.1
99.00786	1.8
99.08105	1.2
101.06025	1.5
111.82777	1.2
123.08086	18.8
124.01579	2.1
125.09644	19.7
127.11217	8.2
137.09680	15.1
137.20906	1.2
139.11205	8.8
141.09119	2.9
141.12790	2.6
151.03998	2.6
151.07581	6.6
151.11244	2.5
152.08380	5.2
153.09120	2.7
155.10728	50.5
156.11021	1.5
166.55507	1.1
167.10765	7.0
171.10236	100.0
172.10596	3.6
183.10251	1.3
184.10999	1.4
185.11809	95.4
186.12161	4.6
193.15906	2.2
209.11841	4.1
209.15515	9.9
211.13406	1.5
212.10509	4.1
247.20717	5.5
251.20070	1.8
263.20239	8.4
265.18341	1.7
265.21866	3.8
273.18552	2.1
281.21219	15.5
291.19754	37.5
292.20248	3.2
309.17172	15.5
309.20825	45.3
310.17844	1.4
310.21182	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67359	3.7
56.02209	2.9
57.03330	7.9
59.01263	12.9
70.09816	9.5
70.10230	9.0
71.01263	4.9
81.03386	3.4
83.04930	5.0
97.06465	7.6
98.20557	5.2
119.08559	13.6
121.10149	43.1
123.08089	6.3
125.09640	25.9
129.70232	3.2
137.09634	8.6
139.11263	5.9
149.26576	2.9
149.58855	3.6
151.03938	4.2
151.07587	7.9
152.08366	4.9
163.11313	4.1
165.12817	8.4
171.10217	35.5
172.10649	3.2
185.11803	50.0
186.12167	4.7
197.11798	11.3
206.02672	3.4
209.11824	14.8
209.15472	5.5
211.13394	8.7
223.13536	5.6
229.19614	5.0
247.20752	11.6
273.18680	10.2
275.20154	11.4
291.19724	100.0
292.20142	8.8
305.17163	3.8
309.17035	10.3
309.20743	30.3
310.21155	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14251	0.6
55.35208	0.7
57.03342	0.9
59.01262	4.9
67.01778	1.4
69.03334	1.1
69.90086	4.2
83.04903	0.9
84.09446	0.7
87.29998	0.6
93.06998	0.8
95.04933	1.0
97.06507	2.2
98.20457	1.2
110.25581	0.6
111.08096	1.4
121.10149	10.2
123.08083	1.1
125.09649	6.0
137.09592	3.6
141.12776	0.9
167.14395	1.2
171.10237	7.7
177.12831	1.0
185.11792	10.9
185.13426	1.0
195.13855	1.1
197.11842	3.5
209.11885	1.5
211.13387	62.3
212.13695	3.7
223.13396	0.9
273.18549	1.1
291.19730	100.0
292.20038	11.0
309.20761	9.6
310.21152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77212	1.0
55.01777	1.7
57.03336	2.5
59.01268	10.3
69.03355	1.8
71.01266	1.9
71.04906	1.1
71.61219	1.6
80.02577	2.0
81.03354	3.8
83.01275	9.1
83.04914	4.6
95.04930	1.8
96.95909	1.2
97.02861	1.6
97.06490	5.0
98.03645	2.9
99.00758	1.4
101.02357	0.9
110.42802	1.0
119.04994	1.1
121.02874	1.3
121.06524	1.1
123.04412	3.3
123.08067	5.5
125.05996	1.7
125.09660	14.3
127.11208	1.7
137.09657	2.7
139.11201	13.0
141.09164	1.4
149.09706	2.0
151.03966	2.9
151.07622	6.1
151.11246	1.3
152.08400	4.9
155.10719	3.9
163.11238	6.4
165.09116	1.0
165.12817	13.1
166.09947	1.0
166.13123	1.3
167.10706	7.1
167.14459	2.1
168.11450	1.1
171.10220	10.9
174.65437	1.1
179.10698	1.4
181.12325	3.5
184.79837	1.1
185.11798	8.6
191.10779	3.0
193.15968	5.8
197.11925	1.1
200.34962	1.2
207.10361	1.9
209.11832	57.9
209.15186	10.0
210.12181	3.3
219.17680	1.0
224.88751	1.0
227.16603	1.2
247.20706	11.6
248.21114	2.0
252.10097	1.4
263.20169	1.5
265.18021	2.1
265.21848	3.2
273.18646	4.6
281.21191	3.4
291.19739	100.0
292.20065	8.0
306.59982	1.0
309.17099	14.9
309.20807	34.0
310.17737	2.0
310.20737	5.0
316.38644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75211	1.0
57.03337	1.5
58.00491	2.3
59.01258	2.8
69.03341	1.1
70.50225	3.8
71.29111	1.0
83.04913	2.0
84.02071	1.5
85.81009	0.9
85.84921	1.0
93.07018	1.6
98.57084	1.2
109.06481	1.9
111.08076	26.9
114.00577	0.9
119.08607	1.1
125.09644	2.0
127.07580	2.3
137.09645	3.2
151.07588	1.8
151.11176	1.5
152.08322	1.5
153.12743	2.5
154.37755	1.1
167.10745	1.2
169.12283	7.8
171.10240	9.1
172.19957	1.2
181.12312	3.1
183.13872	1.9
185.11855	1.2
196.64587	1.1
197.11823	100.0
198.12199	4.8
199.13377	6.1
209.15456	1.3
211.13394	13.0
211.70656	1.1
225.15001	2.3
227.12962	2.1
263.20135	7.1
265.18121	4.1
273.18686	2.5
291.19739	23.1
309.17166	3.1
309.20746	46.3
310.21152	4.5
314.22696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	3.4
59.01264	10.6
62.82612	0.5
68.25430	0.6
68.59003	0.7
69.03330	1.9
70.75011	1.4
70.75346	1.0
71.01263	1.4
78.63464	0.5
83.04929	1.0
85.02831	0.7
88.62663	0.6
93.07010	1.0
127.07540	0.6
137.09657	1.0
139.11209	0.7
141.09174	0.6
151.11209	1.0
153.09070	0.7
161.02466	1.0
167.14355	1.9
169.12291	3.5
171.04274	0.6
171.10309	1.1
172.08740	0.6
197.11810	43.6
198.12135	1.6
209.15497	0.7
211.13374	1.9
217.19655	0.7
227.12952	0.7
229.19647	4.4
247.16945	0.8
251.07114	1.2
261.05551	1.4
261.18643	6.0
262.06204	0.9
263.07156	1.1
265.18182	0.9
273.18658	14.2
274.18948	1.1
279.06680	4.1
279.09280	0.7
279.19635	2.2
291.19696	14.9
292.19971	0.8
294.09067	2.6
309.11328	4.8
309.20770	100.0
310.21161	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	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51859	1.2
53.96759	1.4
57.03321	2.6
57.78891	1.4
59.01271	9.4
66.43645	1.5
69.03342	3.5
70.93156	3.4
71.04916	2.7
78.21922	1.3
97.06464	2.4
107.08575	12.0
115.81567	1.7
119.08588	20.5
120.08938	1.2
121.10134	2.0
125.09632	4.0
171.10236	68.6
172.10640	3.3
175.14915	2.3
183.10248	4.5
185.11835	7.3
189.16371	1.5
197.11690	2.4
211.13391	1.5
217.19577	2.2
227.79022	1.3
229.19676	13.7
261.18646	11.4
263.20181	2.4
267.01932	1.4
273.18686	41.7
274.19107	3.9
279.19739	4.6
291.19751	41.3
291.63409	1.4
292.20096	3.8
309.20773	100.0
310.21100	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76337	1.1
58.00475	1.8
59.01273	2.4
66.05753	1.3
69.03321	2.3
70.54127	3.4
71.04897	2.3
75.81405	1.2
97.06456	1.4
98.20422	1.5
109.06513	1.6
111.08073	36.3
122.39177	1.1
127.07523	1.5
153.12749	2.1
169.12271	6.3
171.10175	4.6
181.12260	1.9
192.73254	1.3
197.11819	100.0
198.12224	6.5
199.13435	2.9
209.15477	13.0
210.15849	1.7
211.13425	9.9
223.16991	5.3
225.14888	3.2
227.12782	2.2
233.15396	2.9
247.17061	2.0
247.20546	2.5
251.16692	6.3
252.59824	1.3
263.20157	5.6
265.18069	4.1
273.18585	3.1
291.16714	2.2
291.19745	27.7
292.19931	2.1
309.17188	4.1
309.20724	47.9
310.21033	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	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70231	0.9
54.67960	0.9
57.03341	2.3
59.01257	3.5
63.75821	0.8
69.03348	1.9
71.01272	1.1
80.02596	1.2
81.03351	2.5
83.01264	6.2
83.04930	3.0
88.25366	0.9
95.04929	3.2
97.06477	4.1
98.03629	2.2
98.20573	2.4
109.06518	1.3
110.03636	1.3
111.08090	1.1
119.30189	0.9
121.06570	1.1
123.04456	4.4
123.08059	3.7
125.06023	1.8
125.09657	8.7
127.11192	1.7
129.09096	1.4
135.08041	1.5
137.09726	1.0
139.03073	1.0
139.11252	10.7
141.09166	1.4
151.11166	1.3
162.51425	1.1
163.11232	6.3
164.11536	1.1
165.12808	16.8
166.13109	1.2
167.10770	5.2
179.10696	1.2
181.12312	3.0
183.13853	2.8
191.10751	3.1
193.12312	2.5
193.15973	4.6
207.10284	1.3
207.13867	1.2
209.11835	39.5
210.12079	3.1
219.17538	1.3
247.20721	13.7
248.21153	1.4
263.84955	1.1
265.21829	1.9
273.18613	4.8
289.60431	1.0
291.19736	100.0
292.20120	11.6
309.17377	1.2
309.20776	30.2
310.21100	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60845	1.4
57.03326	4.3
59.01271	10.5
62.11249	1.3
63.18335	1.3
66.66727	1.4
69.03353	2.3
71.01257	2.0
71.04908	28.6
87.04455	1.6
95.04916	2.2
97.05918	2.1
97.06476	10.8
119.08608	1.6
121.10148	7.1
123.08093	1.9
125.09643	11.8
134.57957	1.3
135.08102	2.0
137.09659	28.7
141.12746	3.2
158.89862	1.6
171.10228	77.5
172.10529	4.0
181.12349	1.4
185.11790	13.9
197.11786	3.3
207.13910	2.1
211.13423	2.7
219.13948	5.1
233.15610	2.3
235.17018	5.6
237.14969	6.0
239.16550	3.1
251.16563	32.3
252.16861	1.6
273.18704	2.8
291.19730	100.0
292.20190	9.5
309.20804	87.3
310.21210	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	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	5.7
59.01261	6.2
59.69018	1.2
69.03327	6.1
70.43246	3.1
70.43649	2.9
71.04922	3.3
81.03367	1.6
83.04912	4.0
84.48078	1.5
85.06493	1.7
95.04930	1.5
97.02849	24.7
97.06519	3.1
98.19930	1.5
101.24610	1.8
103.63058	1.3
109.06509	2.2
111.08059	2.4
119.08569	2.4
125.09625	3.9
127.07523	1.4
137.09673	6.9
146.12193	1.5
163.11194	4.6
165.09171	1.2
165.12782	11.6
167.10753	1.5
168.21500	1.4
171.10222	17.2
181.12315	4.5
183.13857	2.3
185.11861	1.3
193.12325	5.2
195.13861	11.3
197.11856	3.0
209.11838	4.1
211.13385	5.6
217.90318	1.4
221.15517	9.2
223.13405	5.8
227.12868	6.3
239.16539	1.8
247.20638	8.9
251.16562	2.8
273.18619	5.9
291.16348	3.0
291.19717	95.7
292.20050	10.8
309.20773	100.0
310.21295	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	309.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36749	0.5
56.66451	0.5
58.02886	0.5
58.51908	0.5
59.01262	100.0
60.01586	0.8
60.76268	0.5
67.60668	0.5
70.88826	1.0
71.01281	2.1
78.95815	0.8
85.02829	0.8
88.25847	0.5
89.02345	0.7
96.95949	1.0
97.38704	0.6
101.02346	2.5
105.79990	0.5
113.02391	0.5
132.75529	0.5
133.02841	1.2
134.03642	2.0
135.04483	1.5
147.02953	1.0
149.06070	0.7
160.01605	1.3
161.02455	1.4
161.04552	1.1
170.55733	0.5
175.03909	1.0
179.03537	0.6
193.05043	1.9
212.25287	0.5
213.06425	0.6
221.10353	0.6
226.10043	0.5
249.13466	5.8
262.06583	0.5
272.47064	0.5
333.90094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	89.5
60.01635	1.2
69.88240	4.5
69.88652	2.8
77.04617	1.3
77.85172	1.3
82.96138	1.2
87.04409	100.0
110.14162	1.3
142.21417	1.3
161.04504	3.3
184.01947	1.4
220.76678	1.3
249.09869	10.4
251.19789	1.4
309.11932	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	309.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28227	0.4
55.01764	2.1
59.01021	0.6
59.01265	5.3
62.75151	0.4
65.20015	0.5
69.03342	4.7
69.78688	0.5
70.03651	0.9
71.01273	13.2
71.03767	0.6
71.59109	0.7
73.02827	3.0
81.03358	1.6
83.01333	0.6
85.02850	2.1
93.03365	0.7
96.95919	0.8
97.02876	1.7
99.00800	1.7
99.04434	4.1
101.02341	0.6
105.03346	1.6
108.02078	1.4
111.04419	1.0
113.02365	1.6
114.73677	0.5
117.03346	1.2
119.04935	0.9
121.02876	1.3
122.03683	0.8
123.04451	2.4
123.75419	0.5
125.02355	0.5
132.02095	14.9
133.01387	1.1
133.02885	17.9
133.04980	3.5
134.03673	42.5
135.04408	1.7
136.01579	2.3
137.02376	3.0
143.03456	0.6
145.02884	0.8
147.04485	2.8
148.05280	3.8
149.02310	0.6
149.06032	24.4
150.03214	0.8
150.06389	0.8
151.03943	3.1
159.04454	2.1
160.01610	80.1
160.05235	3.0
161.01923	3.0
161.05978	1.1
162.03203	0.8
162.06822	1.7
163.07559	0.8
172.05304	0.9
173.06068	2.7
175.03967	100.0
176.04343	4.5
177.01921	3.2
177.05489	0.7
178.02689	4.0
179.03444	0.7
187.01338	1.7
187.07607	0.5
189.05554	2.1
190.06332	1.5
191.07031	0.6
193.05043	36.2
194.05414	1.5
201.05528	1.6
202.06323	4.4
203.07072	0.8
205.08754	1.5
214.06335	0.7
217.08694	4.2
219.06676	2.1
220.07423	1.1
231.10316	0.6
232.07513	1.4
235.09750	2.6
244.17651	0.5
249.07758	1.1
250.08398	1.3
294.07526	4.7
309.09906	47.3
310.10327	3.4
323.75717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2287
Annotation	Isolinderanolide B
Peak:m/z	Relative Intensity
59.01261	2.0
70.87981	1.3
71.01271	1.1
83.43268	0.4
88.45319	0.4
89.74030	0.5
89.91520	0.4
96.95903	0.6
117.25912	0.5
122.12244	0.5
153.61452	0.5
161.04411	0.6
307.22855	100.0
308.23212	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	307.2286
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.21944	0.7
53.32424	0.6
56.21270	0.6
56.62568	0.7
57.03337	1.1
59.01263	5.6
71.01274	1.3
71.57008	1.3
83.04897	0.9
85.02837	0.8
88.05986	0.7
96.44446	0.8
97.06482	0.8
101.02341	1.1
115.01817	0.6
123.08078	1.2
125.09647	4.7
127.81767	0.6
135.04433	1.1
138.03859	0.7
161.04495	3.1
163.11273	1.1
179.03375	1.0
185.11778	8.6
197.11818	2.4
223.02850	0.7
263.23947	0.8
265.80591	0.8
289.18140	1.0
291.09186	1.6
307.10333	2.6
307.22867	100.0
308.23230	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	307.1921
Annotation	Ostopanic acid
Peak:m/z	Relative Intensity
50.53199	1.4
55.16361	1.5
57.03329	12.6
59.01257	17.1
69.03336	2.6
71.01270	15.2
71.04955	2.0
71.05365	1.5
71.58105	1.9
73.02835	1.6
83.04903	5.3
85.02838	3.1
88.68201	1.6
89.02332	2.4
93.03354	3.3
93.07018	1.5
95.04926	5.0
97.02863	1.5
97.06483	21.0
107.04932	1.7
107.08601	1.7
108.02152	1.9
109.02880	1.7
109.06505	4.1
111.08033	11.1
121.02872	2.1
123.04395	2.8
125.09652	6.3
128.05850	1.8
135.04472	5.0
135.08055	2.1
137.09634	2.2
139.07491	1.6
145.10185	2.5
149.09677	3.6
151.11234	27.5
153.09116	3.9
153.12785	4.2
155.10706	10.8
161.04517	2.8
161.09715	2.9
163.11230	4.7
165.12805	30.3
165.54633	1.7
167.10715	5.9
169.12288	4.6
170.30360	1.8
177.09132	2.0
177.12827	5.9
179.03494	6.5
179.10751	10.2
181.12308	38.1
184.49400	1.6
191.10770	21.3
191.14388	7.2
195.10272	3.6
197.11783	3.7
205.12364	3.9
207.13974	1.8
209.11824	80.9
210.12080	2.3
211.13351	13.3
224.10672	2.2
226.12071	1.9
226.62796	1.6
235.20566	2.6
239.09378	2.7
245.19151	38.5
246.19405	3.1
261.18478	2.4
263.20200	13.6
271.17148	2.9
279.19669	5.4
289.18185	42.1
290.18619	3.2
307.10724	3.3
307.19238	100.0
308.19666	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	307.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	12.8
59.01272	26.0
61.98726	3.4
65.85707	2.3
69.03327	2.6
70.23167	5.1
70.23561	6.1
71.01275	17.7
80.02582	4.6
83.04927	6.3
85.02824	5.0
93.03398	2.5
93.07001	4.6
95.04933	4.7
97.02856	2.6
97.06496	18.3
101.02351	4.1
106.04189	4.5
107.08591	5.4
109.06509	2.8
111.08084	5.7
121.02850	4.3
121.06509	32.8
123.04417	3.0
123.08089	6.8
124.18872	2.6
125.09644	26.2
135.04388	4.6
135.08102	16.6
137.09625	7.2
149.05965	3.4
149.09619	2.8
151.11224	15.4
153.09169	24.2
153.12823	2.5
155.10698	7.9
161.04457	12.8
163.11290	5.6
165.12814	19.5
167.10722	5.9
171.10237	72.3
179.03426	5.1
179.10753	8.5
181.12312	26.1
185.11810	100.0
185.13460	6.1
186.12120	6.1
189.05464	2.7
189.43660	2.5
191.10780	10.5
191.14377	7.1
209.11821	54.3
211.13467	7.2
212.10486	5.7
227.12726	3.0
239.51125	2.4
245.19148	22.6
261.18573	14.6
263.20178	13.0
270.76077	2.4
271.17059	5.2
279.19696	16.2
289.18185	36.2
290.18552	4.5
307.10468	5.7
307.15723	6.1
307.19211	73.5
307.22552	3.7
308.19345	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	307.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95809	1.2
57.03320	5.5
59.01258	6.8
66.44888	1.0
67.01776	1.6
69.03349	1.6
69.90664	1.3
71.01293	1.4
71.15563	3.3
80.02558	3.1
81.03345	5.4
83.01273	7.3
83.04905	4.8
95.04918	2.8
97.02850	7.1
97.06499	9.3
101.37569	1.3
106.04189	1.3
109.06507	1.8
109.13303	1.3
121.06541	2.3
123.04453	8.0
123.08100	2.2
125.09653	17.9
130.50807	1.2
135.04471	1.7
135.08080	2.1
137.05983	1.4
137.09676	10.9
141.12790	3.0
142.02634	1.4
149.05986	2.9
161.04472	2.2
161.09650	1.7
162.10310	1.6
163.07645	1.5
163.11247	14.3
164.08366	1.3
165.12773	4.9
167.10762	1.9
171.10176	2.3
177.12799	2.1
179.10738	2.6
181.12355	3.0
185.11823	22.0
186.10706	1.3
191.10747	3.0
191.14417	18.3
192.14766	1.4
207.10274	9.2
209.11827	48.7
210.12129	2.8
211.13341	2.4
217.15930	3.4
225.11307	11.6
226.11978	1.3
233.15454	2.0
243.17705	1.5
245.19151	39.5
246.19452	2.7
247.17142	1.4
251.13051	1.4
261.18591	2.0
271.17090	4.3
289.18167	100.0
290.18466	6.6
307.19232	45.3
307.22629	2.6
308.19492	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1921
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.85320	1.0
57.03344	6.5
58.05577	1.0
58.59032	1.1
59.01265	9.7
60.59318	1.4
65.37025	1.1
67.01792	1.4
67.05386	1.2
69.03326	2.9
70.88675	3.1
71.01261	3.0
80.02553	2.5
81.03342	5.9
83.01283	7.3
83.04910	3.3
85.02820	1.5
93.03318	1.2
95.04910	4.5
97.02849	5.0
97.06501	10.0
103.63772	1.2
106.04147	1.7
109.02907	1.3
109.06485	4.3
110.03646	1.2
112.38671	1.2
113.06017	1.1
121.06503	3.1
121.10040	1.3
123.04445	10.0
123.08064	4.2
125.05992	3.2
125.09653	19.8
135.04422	1.6
135.08084	2.9
137.06006	2.5
137.09659	13.2
141.12846	2.2
145.06418	1.1
149.06017	3.3
149.09579	1.5
151.11267	1.8
161.04475	2.5
163.07576	2.0
163.11226	19.7
164.08418	1.1
165.09172	2.2
165.12828	3.3
167.10739	3.2
171.10222	1.7
177.12791	1.9
179.03468	1.6
179.10693	1.9
181.12303	4.6
185.11786	22.5
189.12859	1.3
191.10719	3.7
191.14383	17.9
203.14374	2.0
207.10286	8.5
209.11807	42.3
210.12108	2.0
211.13432	2.4
217.16035	2.0
223.13139	1.2
225.11320	10.3
226.12012	1.5
232.02945	1.3
245.19138	46.0
245.21660	2.6
246.19392	4.9
263.20212	2.2
271.17047	3.6
279.19855	1.8
289.18164	100.0
290.18552	7.8
307.19232	62.4
307.22137	1.5
308.19540	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	307.1924
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01768	4.0
57.03033	0.9
57.03329	4.0
59.01274	6.5
61.98710	1.6
65.03852	60.8
66.04197	1.5
67.01755	1.3
69.03332	2.5
70.11099	3.9
70.11520	1.9
71.01259	3.4
71.04527	2.2
71.04911	34.8
78.04214	0.9
81.03335	1.2
83.04915	1.9
95.04884	1.0
97.06496	70.9
98.06811	2.1
104.96384	1.2
108.40024	1.0
110.46280	1.1
119.08580	12.9
121.06520	99.6
122.06841	2.8
123.08081	2.2
125.08732	2.2
125.09651	45.9
126.09961	1.3
135.04414	1.1
137.09627	4.1
141.12732	2.9
156.28308	1.0
161.04398	1.7
163.11221	2.2
167.14392	1.4
169.08684	1.1
175.64496	1.0
179.03354	1.2
185.11803	85.8
186.12117	2.9
209.11826	36.3
210.12109	2.3
211.13390	36.5
212.13664	2.0
233.15392	1.1
235.13422	100.0
236.13805	5.8
249.14902	1.6
280.10950	1.0
286.07315	1.1
289.18219	20.5
290.18555	1.4
307.10574	2.4
307.19211	31.3
308.19519	2.9
316.60251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15709	1.4
55.01768	4.8
57.03327	5.9
59.01261	10.0
60.51636	1.2
65.03851	64.1
67.01768	1.9
67.64319	1.3
69.03317	1.8
71.01260	2.1
71.04913	41.3
71.31137	3.1
80.55143	1.5
83.04917	4.9
93.03351	2.6
95.04911	1.2
97.06494	76.5
98.06819	2.2
101.02377	1.3
106.04148	1.4
109.06523	2.0
117.07010	3.3
119.08590	18.9
121.06517	100.0
122.06845	3.1
123.08090	4.0
125.08736	2.7
125.09644	49.5
135.04446	2.6
135.08076	13.8
137.09653	4.1
141.12823	2.7
141.78362	1.4
161.04445	3.2
169.08716	1.5
171.10202	9.5
176.55141	1.4
185.11798	81.4
186.12148	4.3
195.06380	1.4
209.11826	42.4
210.12144	1.6
211.13397	32.2
212.13655	2.7
214.01445	1.3
217.12378	1.7
223.13280	1.5
229.36215	1.5
233.15450	2.7
235.13414	95.5
236.13814	4.3
249.14981	3.3
289.18146	31.7
290.18518	2.5
307.10355	3.4
307.19250	34.1
308.19647	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	307.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68053	0.4
57.03342	0.6
59.01271	6.1
69.03362	1.0
70.77775	1.5
71.01285	1.0
71.04916	5.3
71.16636	0.5
80.02566	1.6
81.03355	1.8
83.04915	1.8
95.04936	1.2
97.06502	0.7
98.03626	1.2
106.04165	0.6
109.02849	0.6
109.06507	11.9
111.04440	5.9
111.08063	1.5
121.02856	0.5
121.06493	0.7
123.08087	1.4
127.07555	2.6
135.04459	1.5
135.08095	0.7
137.09682	0.8
143.10722	2.2
145.06555	2.3
149.09639	1.5
149.26198	0.5
151.11220	0.9
161.04491	1.1
167.10728	2.2
177.09203	0.5
177.12744	0.6
179.03397	0.5
179.10684	0.7
181.12277	0.7
191.14424	1.0
195.13898	4.0
218.33928	0.6
233.15419	0.5
235.13383	2.0
245.19125	4.4
247.13322	0.7
251.16498	1.5
261.18607	0.4
271.17163	1.1
273.14877	1.0
284.31570	0.5
287.16602	2.2
288.17108	0.5
289.18173	100.0
290.18536	9.5
307.10751	1.2
307.15726	1.1
307.19199	12.1
308.19498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.7
57.47980	3.2
59.01270	34.9
61.80622	3.5
61.98723	5.0
66.12705	3.2
67.01778	4.2
71.01266	12.5
71.04913	7.9
71.59607	5.9
72.99180	3.2
73.02837	6.6
79.95630	11.0
81.03360	6.7
83.01309	3.5
83.04924	9.7
84.02068	6.3
88.18144	3.3
89.02290	4.3
95.04929	41.1
97.06475	6.0
98.23186	4.0
101.02306	5.5
109.06502	17.5
111.04434	10.8
111.08025	4.6
113.06004	53.0
113.09624	5.7
114.17236	3.8
124.81277	3.5
127.07598	4.2
135.04448	6.4
136.04675	3.3
149.09680	8.1
151.11201	6.7
157.11488	3.2
161.02415	3.2
161.04532	11.6
171.10265	3.7
171.15727	3.4
179.03436	6.0
183.13779	4.0
193.12335	12.2
195.13878	8.3
209.11865	18.9
211.13370	14.8
233.15508	12.0
235.13501	5.9
245.19212	8.7
247.17256	3.8
249.15030	4.9
251.16534	5.2
271.16977	3.6
289.18152	100.0
290.18515	7.3
307.07813	6.9
307.10889	6.9
307.19257	73.7
307.22678	7.7
308.19165	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1408
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.51129	0.6
57.03332	0.8
58.00476	1.1
59.01266	33.3
67.04565	0.6
68.94744	0.6
70.92773	1.3
71.01276	17.8
72.99191	0.8
73.02839	1.6
83.01304	1.6
85.02836	3.3
85.54453	0.5
87.00774	2.8
89.02341	16.3
95.01302	1.7
96.95923	1.0
99.02640	0.9
99.08053	16.1
101.02345	12.2
113.02361	7.9
119.03439	7.5
127.07581	3.8
129.09158	1.9
129.67953	0.6
135.04480	1.9
141.09184	1.8
145.08655	54.2
146.09024	1.9
165.85019	0.6
179.03522	2.0
186.20058	0.6
187.09779	1.5
201.09587	0.9
219.10637	5.3
220.10909	0.9
231.76764	0.7
258.71854	0.6
307.14133	100.0
308.14578	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	307.1406
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01773	1.1
57.03358	1.2
59.01267	40.3
60.01638	0.8
71.01270	21.6
71.54691	1.0
72.99205	2.2
73.02846	1.9
83.01262	1.4
85.02847	4.9
87.00789	2.8
89.02332	16.6
95.01302	1.9
96.95879	0.9
99.08079	2.5
99.26452	0.7
101.00591	0.9
101.02344	14.0
108.66808	0.7
113.02371	6.6
118.38415	0.7
119.01688	2.9
119.03410	4.9
127.07542	5.3
135.04443	11.7
145.08641	11.8
161.02422	0.9
161.04468	0.9
179.03462	11.1
184.28040	0.7
189.57655	1.0
219.10623	8.2
307.14172	100.0
308.14325	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.4
57.03334	1.4
58.00481	2.6
59.01270	41.3
60.05306	1.0
66.07040	1.0
67.01788	1.2
71.01270	23.5
71.59665	2.2
72.99194	3.1
73.02859	2.2
75.00795	1.2
78.95792	19.9
83.01279	2.2
84.54296	1.1
85.02854	6.8
87.00771	4.2
89.02346	16.3
93.03365	4.9
95.01283	1.6
96.95888	3.4
96.96861	7.9
99.08058	20.3
101.02354	16.0
113.02348	11.2
119.03405	7.3
119.04939	1.2
124.81864	1.2
127.07544	6.4
129.01868	1.8
129.09160	2.5
135.04475	7.5
141.09142	1.7
145.08647	61.3
146.08990	1.4
146.49016	1.3
160.11159	1.1
161.04477	3.0
170.46535	1.1
173.04483	1.6
179.03453	7.0
187.09711	1.6
191.05580	3.2
219.57101	1.4
225.11206	1.1
306.59796	3.9
307.14069	100.0
308.14346	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65338	0.2
59.01268	0.5
59.96621	0.4
61.84041	0.2
63.41902	0.2
67.46933	0.2
71.01288	0.4
71.56890	0.3
73.18681	0.2
74.98960	5.6
75.96136	0.3
91.02106	3.0
93.00043	2.1
109.67388	0.2
141.07314	0.3
147.82480	0.2
149.00909	2.6
159.08414	6.9
159.09763	0.4
161.06342	2.0
163.63930	0.2
169.30016	0.2
192.98146	0.8
206.99666	1.4
209.01233	3.0
213.16621	0.2
215.25851	0.2
215.95268	0.2
217.07225	0.8
223.02841	50.9
224.02852	4.0
225.00676	0.2
241.03934	1.4
275.05917	0.4
289.07581	2.0
291.09161	100.0
292.09293	10.3
307.12350	4.9
308.12451	0.3
309.10312	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.6
60.97399	0.4
70.96413	0.5
70.96762	0.8
71.01275	0.7
74.98960	4.4
75.96101	0.4
89.14598	0.4
91.02106	2.7
93.00047	3.2
103.55244	0.3
125.24178	0.4
135.04448	0.6
149.00883	2.7
153.76857	0.4
159.08417	7.3
161.04486	0.8
161.06354	2.2
192.98087	0.5
206.99745	1.2
209.01292	2.2
217.07207	0.9
220.33403	0.4
221.38136	0.3
223.02844	50.9
224.02872	4.0
225.00656	0.5
241.03859	1.1
279.77112	0.4
289.07568	2.0
291.09174	100.0
292.09296	10.1
307.12375	4.7
309.10172	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	307.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02255	0.4
55.01770	4.4
59.01260	1.2
67.01783	0.8
69.03345	100.0
70.01349	0.8
70.01741	0.6
70.03667	1.9
71.01266	1.3
72.99203	2.0
79.01768	1.9
79.44826	0.3
85.02850	1.4
87.00759	0.3
95.01280	2.8
97.02853	19.7
98.03178	0.4
98.20576	0.3
99.00784	24.0
100.01102	0.6
113.02341	0.5
121.02872	5.0
123.00810	0.9
124.01657	0.3
133.02829	0.3
135.04462	7.1
141.01871	9.0
151.03987	0.7
155.07292	0.3
161.02383	0.3
166.90598	0.3
179.03497	2.9
185.00893	45.2
186.01208	1.5
301.38348	0.3
307.01349	0.6
307.04749	6.6
307.08221	1.0
307.19269	0.3
307.22787	0.7
308.05124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	4.9
58.73304	0.6
59.01260	13.8
67.01776	0.6
69.03342	100.0
70.03654	1.0
70.44852	1.0
70.45237	0.9
70.81915	0.5
71.01273	5.2
72.99195	1.9
73.02817	0.6
79.01786	1.4
83.01278	1.5
85.02849	2.1
89.02336	3.6
89.71376	0.6
91.58462	0.6
95.01294	2.6
96.95912	1.1
97.02850	21.6
97.03488	1.1
97.32308	0.5
99.00774	26.9
99.08059	4.6
101.02321	3.2
108.38691	0.6
111.00793	1.2
113.02384	1.7
119.03421	1.4
121.02876	5.3
123.00841	1.4
129.09146	0.8
130.71228	0.6
135.04445	2.9
136.29150	0.5
139.00328	0.5
141.01862	7.3
141.09187	0.8
145.08636	13.5
163.03917	0.8
178.82051	0.5
179.03407	2.5
185.00883	39.1
186.01208	1.7
195.20006	0.6
307.04642	5.8
307.08286	1.1
307.14056	20.7
308.04883	0.7
308.14322	0.9
309.88162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.6
69.87989	4.2
78.95800	100.0
79.63793	0.8
80.43095	0.7
95.60430	0.6
96.40707	0.7
96.96869	84.1
98.19859	0.8
111.11796	0.7
112.63417	0.6
119.04964	1.4
122.98460	0.9
131.37781	0.7
149.00063	4.4
188.04703	1.8
189.05524	1.6
204.04332	3.3
207.04311	8.8
208.04689	0.6
221.05840	4.8
224.09686	0.7
233.09525	10.0
247.06172	1.9
248.07077	0.8
249.09119	1.1
261.08862	0.9
263.10559	1.3
274.08664	1.0
279.10068	8.7
288.10037	1.1
306.07712	3.4
306.11160	48.7
307.08521	2.1
307.11371	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	305.2495
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01240	1.8
71.58988	3.0
199.33405	1.7
305.24936	100.0
305.70618	1.7
306.25256	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	306.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35844	0.8
68.79957	0.8
69.81555	3.8
69.81974	1.6
78.95792	100.0
89.62987	0.8
96.96861	84.6
97.61036	0.9
149.00021	7.0
160.33467	0.8
164.47346	0.9
164.78398	0.8
167.50061	0.9
179.03502	0.9
204.04276	3.7
207.04224	9.1
221.05809	3.6
233.09496	10.1
249.08911	1.4
274.08502	2.0
279.10086	10.5
306.07599	3.9
306.11145	53.0
307.11642	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	305.2131
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
57.03333	1.4
58.02857	1.8
59.01268	7.4
60.99176	1.1
61.31086	0.7
61.98746	0.7
63.17752	0.7
64.97205	0.8
68.37542	0.7
71.04901	0.8
71.57722	1.3
75.72944	0.6
82.76450	0.8
95.04988	0.7
119.04933	0.7
125.59421	0.7
133.10159	1.1
135.08078	1.7
141.01566	1.7
151.11224	15.1
156.50829	0.9
168.13937	3.4
169.14244	2.1
176.78119	0.7
191.14375	12.5
235.13429	1.2
287.16544	1.2
305.21289	100.0
306.21671	7.2
306.79410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2129
Annotation	Havardic acid F
Peak:m/z	Relative Intensity
55.05615	2.2
59.01257	7.1
61.95823	2.0
69.03339	2.7
71.04909	3.1
71.38778	5.1
72.63664	2.1
80.02576	35.3
95.04915	12.1
98.52931	2.6
100.07600	2.2
172.56943	2.3
181.41974	2.2
193.40723	2.2
261.22302	84.8
262.22537	6.8
305.21304	100.0
306.21664	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	305.1766
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03326	2.1
58.02868	1.2
59.01266	10.8
60.10812	0.9
68.05649	0.8
69.03322	1.1
69.48425	7.0
71.04912	43.3
72.05250	1.2
81.03354	4.0
83.04914	2.4
93.03379	2.2
95.04932	20.1
96.36235	1.0
97.06484	1.2
106.04154	2.7
107.04928	2.8
109.02886	1.1
109.06512	16.3
109.07203	0.8
110.97055	0.8
111.04424	2.5
119.04961	1.2
121.06521	7.3
122.03665	1.2
123.04415	1.0
123.08016	1.7
127.07581	2.5
135.08105	2.7
136.05229	1.9
137.02409	1.4
139.15880	1.1
141.01590	2.7
147.04445	2.4
147.08107	3.9
149.09576	1.7
150.06764	2.0
152.79991	1.0
153.09113	1.7
161.06064	4.2
161.09654	1.4
164.08403	1.7
165.09160	11.5
168.13902	1.1
169.14227	2.2
189.12820	14.8
205.15981	10.2
206.16281	1.0
231.13913	2.2
233.11842	9.4
243.17572	11.0
249.14998	14.6
250.15393	1.2
261.18716	2.6
263.16702	1.5
269.15421	1.5
287.16602	87.1
288.16895	8.2
305.17664	100.0
305.20956	4.3
306.18005	10.3
306.21317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
57.03344	2.2
59.01268	10.2
61.98714	1.3
62.58732	0.6
65.03844	4.0
71.01293	0.9
71.04913	9.2
79.05424	14.2
80.02573	0.7
83.04913	1.6
93.03376	2.1
95.04932	2.1
97.06495	14.8
106.04150	7.8
107.04971	3.3
109.06516	2.4
117.07011	1.3
119.04964	1.1
120.05734	6.7
121.06496	4.2
123.08075	6.2
125.09659	18.1
126.10036	0.6
133.02995	0.7
135.08090	100.0
136.08421	4.1
137.09659	1.7
141.01657	2.9
151.11252	3.3
162.06827	0.9
163.11217	2.1
170.51593	0.7
171.10281	0.9
177.12801	1.1
183.10240	1.2
185.11778	2.5
189.12817	1.5
203.14386	0.8
205.15990	5.9
206.16385	1.3
207.10231	3.1
209.11855	2.5
221.11885	2.3
231.13959	2.0
233.11880	1.5
237.15160	0.9
249.15004	51.6
250.15292	4.2
263.16501	1.6
269.15509	1.2
287.16565	7.4
288.16983	0.7
305.17657	80.9
306.17987	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.7
59.01274	31.1
65.03850	5.7
69.03355	7.0
69.54736	6.7
69.55141	26.7
93.07023	11.3
99.08060	11.4
102.48392	4.0
137.06006	18.1
141.01636	10.4
155.07089	13.9
167.10738	100.0
168.11148	5.0
173.34212	3.8
305.17789	5.5
305.21234	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	305.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67284	0.8
51.68472	0.8
52.73547	1.0
55.01783	0.8
56.14671	0.8
57.03342	1.9
59.01264	11.7
61.98709	1.0
65.00182	0.8
69.03339	1.6
71.04907	29.5
71.57734	1.6
77.42085	0.8
80.02567	1.2
81.03354	2.8
83.04906	1.7
85.02850	0.8
93.03344	2.0
95.04921	14.9
97.06494	1.9
97.42069	0.8
106.04141	1.9
107.04923	2.6
107.08548	1.1
109.02869	1.9
109.06490	12.6
110.06852	0.9
111.04448	2.0
119.04950	2.1
120.05798	1.3
121.06480	2.9
121.10131	0.9
122.03636	2.0
123.04417	1.9
123.08057	3.3
125.02366	0.8
125.09634	2.1
127.07585	2.1
133.02811	0.8
135.04440	1.5
135.08075	12.7
141.01627	2.8
145.06595	1.1
147.04434	1.3
147.08102	1.7
149.09631	1.3
150.06799	2.1
151.11247	1.2
161.06058	3.1
161.09682	1.8
165.09171	8.4
175.07620	1.4
185.11786	2.6
189.12827	11.2
197.85732	0.8
198.25444	0.9
205.15976	8.1
223.13394	1.0
231.13896	1.3
233.11818	5.7
243.17633	9.1
244.17894	1.1
249.15004	20.9
250.15446	1.5
261.18616	2.4
263.16528	1.1
269.15555	2.1
270.15738	0.9
287.16595	68.4
288.17014	5.4
289.14676	1.0
305.17661	100.0
305.20883	3.8
306.17947	10.7
312.49777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76048	0.5
55.47780	0.4
59.01263	52.8
69.49343	3.5
74.36604	0.5
78.56857	0.5
79.95634	1.6
96.95911	100.0
97.06496	0.6
117.63772	0.4
120.99592	0.6
135.08072	1.2
147.08083	1.8
165.09213	0.6
165.80516	0.5
190.96960	0.6
225.11317	26.1
226.11635	1.6
305.07071	53.0
306.07446	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	304.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02864	41.3
59.01264	0.8
59.03186	0.6
69.27654	0.2
71.17210	0.5
87.07690	0.2
89.46575	0.2
95.11190	0.2
95.85212	0.2
100.61309	0.3
115.76923	0.2
141.01424	0.2
168.13896	100.0
169.14256	5.9
181.70129	0.3
206.44881	0.2
212.12927	4.1
213.13219	0.3
257.50763	0.2
281.28268	0.2
304.19275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72552	2.1
59.01253	10.5
59.41779	2.2
71.58738	2.7
71.59209	4.6
74.51145	2.5
85.02827	3.0
93.06985	9.8
121.10155	93.1
122.10455	4.4
137.06035	11.8
155.07106	21.7
165.09164	100.0
166.09601	3.3
179.31560	2.7
303.23288	31.3
304.23840	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	303.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16021	0.3
58.40603	0.4
59.68723	0.4
59.98390	0.4
60.31503	0.3
61.92040	0.3
71.35435	0.8
76.51341	0.3
86.82753	0.4
95.83429	0.3
101.90094	0.3
103.38072	0.3
105.68962	0.3
144.86084	0.3
303.23370	100.0
304.23737	8.3
308.25656	0.3
316.02588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
71.35512	0.6
94.04536	0.3
99.04429	2.5
100.82098	0.2
168.49782	0.3
262.50919	0.3
295.34781	0.2
303.23367	100.0
304.23697	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40604	0.3
56.25667	0.3
70.90088	0.6
70.90427	0.6
72.32197	0.4
81.27853	0.4
91.33632	0.3
99.04420	1.8
111.04410	1.0
120.30005	0.3
123.00716	0.4
123.95583	0.4
145.02885	0.6
146.03194	0.4
147.03540	0.4
217.07373	0.5
242.98586	0.3
285.13593	0.4
301.21805	100.0
302.22131	10.2
302.25586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.2
65.00196	0.2
70.78264	0.4
70.91485	0.1
86.71407	0.2
91.41740	0.2
93.06924	0.1
99.04419	2.2
111.04439	1.1
117.03355	0.2
118.03715	0.3
121.02816	0.2
123.00793	0.4
130.49678	0.1
145.02890	0.8
146.03223	1.1
147.03467	0.7
151.00301	0.7
178.99843	0.2
181.64078	0.1
189.16431	0.2
229.01341	0.2
285.13806	0.2
300.99954	1.3
301.03577	1.0
301.17526	3.3
301.21777	100.0
302.00415	0.2
302.22116	10.8
319.22964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58913	20.4
59.01266	40.7
61.43511	20.9
70.63368	54.3
70.63699	21.3
71.54137	18.8
77.30428	20.6
82.23610	20.0
82.53245	19.6
86.03919	22.8
92.72806	21.0
143.44955	22.0
146.03249	26.6
147.03526	35.0
148.03708	20.5
164.97289	21.2
232.71898	24.6
302.17746	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	301.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32285	0.3
54.28746	0.3
58.26962	0.3
59.01260	0.6
68.89416	0.2
70.54700	0.2
76.95954	0.3
81.23734	0.2
90.84524	0.3
98.20517	0.5
99.04414	3.5
104.54980	0.2
111.04418	1.5
145.02855	0.4
146.03203	0.6
147.03371	0.3
153.82936	0.3
189.16417	0.4
217.07245	0.4
301.00284	0.5
301.21786	100.0
302.22156	9.4
302.25644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0724
Annotation	Homoeriodictyol chalcone
Peak:m/z	Relative Intensity
59.01261	0.5
63.02286	7.7
65.00214	13.6
70.00623	2.4
80.02573	1.4
83.01277	7.4
90.75716	0.4
107.01298	21.2
108.02092	11.8
121.02853	0.9
123.00814	1.0
123.04464	3.0
124.01587	0.6
125.02356	1.2
134.03667	33.9
135.04100	0.8
136.01607	7.0
145.02872	0.6
146.03227	0.8
147.49695	0.4
149.06029	22.4
150.06352	0.7
151.00313	47.4
152.00793	1.3
164.01112	10.0
165.01913	2.3
169.01390	2.6
174.03172	1.4
175.04022	0.6
177.01900	6.1
178.99661	0.5
196.00134	6.3
199.03966	1.4
201.01906	1.5
207.64104	0.4
215.03456	0.8
222.48457	0.4
242.05794	0.7
244.03482	0.5
256.03616	0.5
272.02652	0.5
273.03329	1.5
285.04019	0.6
286.04800	2.5
301.03690	4.2
301.07230	100.0
301.16943	3.0
302.07562	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	301.1668
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97390	0.6
74.98981	0.6
76.80559	0.2
79.31974	0.2
118.26431	0.3
118.96157	0.6
134.99323	4.9
136.97263	1.6
141.07326	0.3
143.05322	0.5
145.02853	0.3
146.03268	0.5
150.98820	0.3
159.08424	1.3
161.06345	5.5
162.06544	0.3
197.16731	0.2
201.04039	0.4
203.05649	2.8
205.03549	1.0
215.05632	0.9
217.07214	73.6
218.07350	5.4
235.08301	0.5
248.14932	0.2
261.06287	0.6
283.11966	0.4
285.13547	32.3
286.13712	3.4
301.16681	100.0
302.16858	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	301.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.3
59.01265	1.6
63.02287	8.6
65.00213	27.8
67.01778	1.4
68.99716	1.1
69.03342	1.4
69.42670	7.7
72.06167	0.8
81.03355	1.5
83.01289	19.4
93.03361	43.2
94.03728	1.4
95.01288	3.9
96.95901	1.1
103.78698	0.9
107.01305	31.3
109.02869	2.9
111.00771	1.1
117.03384	8.3
119.04951	1.6
121.02892	1.4
123.00802	2.2
124.01604	8.5
125.02388	13.2
135.00815	4.1
135.04433	10.3
137.02414	4.3
139.00294	1.4
141.01863	1.1
143.04962	2.0
145.02905	5.4
146.03276	2.6
151.00313	83.2
152.01102	27.9
153.01889	7.1
159.04486	5.6
160.90765	0.9
161.02377	9.9
161.05997	2.9
163.00323	15.4
163.03906	1.0
164.01091	1.8
165.04338	1.9
169.01402	5.5
171.04449	1.2
173.05998	1.1
177.36876	0.9
178.99834	27.5
183.04649	1.1
185.06087	2.3
187.03990	3.6
189.05634	1.2
191.03523	2.2
201.05560	7.8
206.99356	28.5
208.00104	19.5
209.00514	1.6
211.03958	1.6
213.05548	1.7
215.03615	6.5
229.05043	7.3
233.04485	1.0
245.04587	69.1
246.04918	3.9
250.72865	1.0
255.03043	2.5
257.04568	11.8
257.12976	1.3
273.04117	100.0
274.04459	6.0
283.02524	6.1
300.16962	3.9
301.03568	26.3
301.11893	3.5
301.17230	5.6
302.03992	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0362
Annotation	6-Hydroxykaempferol
Peak:m/z	Relative Intensity
51.65400	1.1
57.03336	2.3
59.01252	4.0
63.02281	6.6
63.86348	1.0
65.00208	21.0
68.99699	1.6
69.31472	1.0
71.57988	1.2
73.17019	1.1
83.01273	16.1
93.03358	41.5
95.01284	7.2
99.00790	1.2
104.03498	1.1
104.99354	1.3
105.14557	1.1
107.01298	31.8
109.02882	2.5
111.00765	3.9
112.67397	1.2
117.03369	10.4
119.01296	1.3
119.04928	1.4
121.02851	3.5
121.40424	1.2
123.00783	4.6
124.01595	6.7
125.02363	15.8
129.84381	1.2
130.04034	1.1
133.02838	1.7
135.00783	3.9
135.04457	7.2
137.02383	3.1
139.00290	1.3
143.04953	2.5
145.02882	8.8
146.03186	8.0
147.03419	1.7
151.00308	83.9
152.01105	24.7
153.01874	9.5
157.06424	1.4
159.04465	6.7
161.02348	7.9
161.06001	3.3
163.00345	12.9
165.12746	1.2
169.01460	6.3
171.04520	1.3
173.06055	2.9
177.05482	2.2
178.99823	29.5
180.00011	1.3
180.03308	1.1
181.01338	2.4
183.04434	3.1
183.13924	3.3
185.06036	1.6
187.03969	5.1
191.03465	3.2
197.25156	1.2
198.08008	1.2
199.04028	1.3
201.05559	11.2
202.33717	1.2
206.99352	25.4
208.00099	16.7
211.04022	2.2
213.05545	2.4
215.03436	6.6
227.03445	2.6
227.12857	2.2
229.05081	11.3
231.02971	1.3
233.04581	1.7
245.04584	68.2
246.04889	3.3
255.03052	7.3
256.03342	1.7
257.04617	15.9
273.04120	100.0
274.04367	6.1
283.02640	8.2
300.16922	9.8
301.03589	68.9
301.14368	2.0
301.17233	12.1
302.03879	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	301.0362
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.26466	0.4
50.31033	0.4
51.30341	0.5
52.69935	0.5
59.01251	1.7
63.02289	7.4
65.00211	12.8
68.99732	0.4
71.58367	0.5
77.98913	0.5
78.95758	0.4
79.52686	0.4
83.01282	8.2
83.35498	0.5
91.38111	0.4
93.03358	5.3
95.01284	0.9
107.01297	18.8
108.02131	0.5
108.04427	1.0
108.92080	0.5
109.02856	3.0
117.03365	0.8
117.45748	0.5
121.02867	18.6
122.03181	0.6
123.00758	0.9
124.01584	0.8
124.07601	0.8
125.02412	0.7
135.00824	0.7
135.04398	0.6
136.07596	2.2
137.02461	0.6
139.03917	2.2
145.02873	2.1
146.03200	1.8
147.03337	0.7
147.04471	0.7
149.02390	3.2
151.00311	59.9
152.00755	1.8
159.04443	1.0
161.02371	1.6
163.00317	1.9
163.03955	1.4
164.01033	1.2
169.01360	4.7
173.06027	0.6
176.49152	0.5
178.99817	22.6
180.00217	0.9
185.06061	0.7
187.04031	0.8
192.00633	0.8
193.01376	1.3
196.12184	0.4
201.05515	1.3
203.03395	0.5
205.05064	0.8
211.04053	1.5
227.03487	1.4
229.05043	1.8
243.02841	0.8
245.04567	3.4
254.77728	0.5
255.02997	1.5
256.03827	0.7
257.04587	1.1
257.13013	6.7
262.84351	0.5
273.04190	4.3
283.02576	1.8
284.03171	0.8
300.16885	3.0
301.03595	100.0
301.17145	3.6
301.20233	1.1
302.03946	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	299.0204
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01262	0.6
63.02269	4.7
65.00213	2.2
69.28725	4.7
79.01784	0.6
83.01291	1.6
90.77532	0.5
91.01804	0.9
98.20689	0.4
107.01295	3.5
109.02866	3.2
115.05453	1.0
117.03368	10.8
118.04169	0.5
119.04938	3.7
121.02880	3.0
123.04400	0.5
131.04956	0.9
133.02885	9.1
135.00793	1.1
143.04980	3.3
145.02887	56.6
146.03238	1.6
147.00905	0.6
147.04454	1.3
149.02452	0.6
151.00296	3.0
155.05029	0.8
157.02937	2.2
159.04503	1.2
161.06050	0.5
162.03148	0.6
163.03943	2.0
169.02931	0.7
171.04457	6.9
173.02428	1.5
175.03981	3.8
182.03664	0.9
183.04434	1.3
185.02393	0.8
187.03960	3.6
189.05603	0.5
197.02469	2.0
198.03239	2.5
199.03993	14.6
201.01961	4.7
203.03542	0.9
213.01868	0.9
214.02701	1.0
215.03548	5.7
225.01981	0.8
226.02740	2.8
227.03484	6.3
228.03958	0.6
230.20264	0.5
242.02246	1.2
243.03011	6.8
255.03000	2.4
256.03763	4.2
271.02530	73.1
272.02881	5.4
282.01859	1.0
284.03320	13.0
285.03738	1.2
299.02069	100.0
299.05637	10.1
299.16571	87.2
300.02518	10.8
300.05807	0.7
300.16815	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	299.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65971	0.3
63.02276	3.7
65.00203	3.1
69.73173	0.4
69.73508	2.8
73.05318	0.4
78.96728	0.4
83.01265	1.1
87.36121	0.4
88.00005	0.4
89.00242	0.8
91.01786	0.6
93.03365	0.4
95.01260	0.5
107.01286	3.9
107.70634	0.4
109.02853	4.0
112.06638	0.4
115.05446	0.6
117.03390	1.5
119.01320	0.5
119.04915	0.5
130.55090	0.5
131.04921	0.8
133.02885	7.2
135.00824	1.3
143.04955	3.7
145.02895	9.5
147.00801	0.9
147.04436	1.1
149.02394	0.6
150.32175	0.4
151.00267	2.0
155.04932	1.0
157.02953	1.9
159.04456	1.0
161.02405	0.5
163.03941	0.6
169.02879	0.5
170.03639	0.7
171.04460	6.2
173.02412	1.7
175.03981	3.6
182.03665	1.0
183.04408	0.9
187.03992	3.6
197.02393	1.7
198.03149	1.8
199.04004	14.0
200.04292	1.0
201.01953	4.3
203.03499	1.1
213.01849	0.8
214.02716	0.7
215.03499	6.0
226.02774	2.5
227.01276	0.7
227.03458	5.9
228.03952	0.5
241.01469	0.8
242.02289	2.2
243.03011	6.4
244.03210	0.6
255.03000	1.4
271.02533	77.2
272.02872	6.1
282.01578	0.8
299.02032	100.0
299.16577	17.7
300.02463	8.7
300.16864	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24988	0.3
53.78955	0.3
63.02280	3.5
63.02574	0.4
64.99915	0.6
65.00196	2.2
71.12778	0.3
71.32885	0.6
79.01776	0.4
83.01289	1.2
87.34165	0.3
89.00223	0.5
91.01791	0.7
95.01287	0.5
107.01294	2.9
109.02850	4.3
115.05440	0.5
117.03369	2.6
119.01308	0.4
119.04943	1.2
121.02840	0.7
129.03387	0.4
131.04930	0.8
133.02879	7.7
135.00787	1.3
143.04961	3.9
145.02887	13.0
146.03302	0.4
147.00813	0.6
147.04468	0.9
149.02432	0.4
151.00314	2.4
155.04994	1.3
157.02950	1.8
159.04507	0.7
161.02380	0.5
163.03966	0.6
169.02916	0.7
170.03600	0.4
171.04466	6.1
173.02391	1.2
175.03989	2.7
182.03712	0.5
183.04521	1.2
185.02351	1.1
187.03981	3.4
189.05591	0.4
197.02448	1.4
198.03188	2.0
199.03981	13.8
200.04288	0.9
201.01923	4.2
203.03497	1.0
213.01933	0.5
214.02667	1.2
215.03464	5.4
225.02036	0.5
226.02730	2.4
227.03500	5.1
242.02350	2.0
243.02988	6.1
255.03064	1.5
271.02530	65.0
272.02835	4.5
282.01755	0.6
299.02026	100.0
299.16577	18.6
300.02402	9.6
300.16827	1.7
312.32004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53921	0.3
63.02288	4.4
65.00198	2.2
71.19917	0.5
71.20255	0.4
83.01288	1.2
89.00227	0.5
91.01824	0.8
91.56468	0.3
95.01299	0.6
107.01300	3.2
109.02848	3.6
115.05486	0.7
117.03355	2.0
119.01254	0.4
119.04958	0.7
121.02874	1.0
131.04997	0.6
133.02872	7.1
135.00822	1.1
143.04974	3.0
145.02893	9.7
146.03380	0.4
147.00845	0.8
147.04434	0.9
148.01625	0.4
151.00284	3.1
154.04121	0.4
155.04976	1.2
157.02908	2.6
159.04504	0.7
161.02431	0.8
163.03963	1.0
169.02942	0.7
170.03693	0.5
171.04472	6.3
173.02403	1.5
175.03961	4.5
182.03670	0.8
183.04532	1.0
185.02324	0.4
187.03983	3.3
189.01974	0.4
189.05475	0.6
197.02444	1.2
198.03210	1.9
199.03986	14.1
199.97505	0.3
200.04335	0.6
201.01904	5.3
202.02359	0.4
203.03461	0.7
213.01884	0.8
214.02698	0.4
215.03517	5.2
216.03969	0.4
225.02045	0.8
226.02818	2.0
227.03503	6.3
227.05722	0.4
229.01416	0.4
241.01575	0.5
242.02321	1.6
243.03040	7.6
244.03477	0.7
255.03043	3.0
271.02539	81.9
272.02863	6.1
282.01697	1.2
299.02026	100.0
299.16556	11.0
300.02487	8.6
300.16901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0204
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
63.02275	3.7
64.72883	0.4
65.00193	2.1
66.79404	0.4
71.12762	0.5
71.18623	1.0
83.01270	1.3
91.01770	0.7
95.01270	0.6
107.01315	2.5
109.02853	3.5
115.05405	0.8
117.03368	3.8
118.95312	0.3
119.04929	1.0
121.02821	0.7
126.56498	0.3
131.04919	1.0
133.02869	7.9
135.00800	1.3
139.03932	0.4
143.04955	3.7
145.02885	17.0
146.03207	1.0
147.00774	0.8
147.04462	0.6
147.58762	0.4
149.02385	0.5
151.00331	3.2
155.04953	1.2
157.02893	2.6
159.04440	1.0
161.02350	0.5
163.03868	0.9
169.02815	0.4
170.03700	0.5
171.04454	6.6
173.02359	1.5
175.03952	4.1
176.04362	0.5
182.03682	0.8
183.04460	1.3
185.02519	0.5
187.04007	3.6
189.05574	0.7
197.02419	1.5
198.03214	2.8
199.03993	14.7
200.04346	0.8
201.01924	5.3
203.03470	1.5
213.01910	0.7
214.02667	0.9
215.03468	6.1
216.03812	0.5
226.02708	3.6
227.03491	7.5
242.02193	1.6
243.03024	7.7
244.03232	0.6
255.03009	2.2
271.02527	92.3
272.02887	6.7
282.01718	1.0
299.02026	100.0
299.16562	24.0
300.02469	11.3
300.17078	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57927	0.2
63.02283	3.5
65.00204	2.7
73.33060	0.3
79.01801	0.3
83.01262	1.2
89.00198	0.5
91.01776	0.4
107.01292	2.9
107.62598	0.2
109.02847	3.8
113.81209	0.2
115.05415	1.2
117.03351	1.2
119.01310	0.4
119.04930	0.6
121.02862	0.6
131.04903	0.8
133.02885	7.5
135.00809	1.1
143.04962	2.5
145.02888	9.3
147.00793	0.8
147.04427	0.9
151.00285	2.9
155.04947	1.1
157.02895	1.7
159.04419	1.1
161.02380	0.6
163.03978	0.5
169.02904	0.7
170.03606	0.4
171.04486	6.8
173.02354	1.7
175.03983	3.7
182.03694	0.8
183.04477	1.0
185.02438	0.3
187.03972	3.3
189.01799	0.4
189.05580	0.5
191.03442	0.3
197.02435	1.7
198.03223	1.9
199.03984	12.8
200.04298	0.8
201.01904	4.5
203.03540	1.4
213.01949	0.7
214.02649	0.8
215.03502	5.1
216.03850	0.4
225.01942	0.7
226.02711	2.8
227.03497	7.1
242.02240	1.4
243.03017	7.7
244.03328	0.4
255.03008	2.2
271.02533	74.2
272.02911	4.7
282.01825	0.7
299.02032	100.0
299.16580	14.9
300.02557	9.9
300.16974	0.8
322.48734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.0
71.01274	0.6
71.29392	0.9
74.18725	0.4
82.02229	0.4
92.35066	0.5
117.03344	0.7
119.04900	0.4
127.11231	0.5
145.02873	1.0
169.12291	7.5
170.12706	0.7
183.01126	0.5
183.13876	1.5
261.22379	0.8
266.77423	0.4
279.23361	13.8
280.23755	1.1
295.22760	1.1
297.15369	3.4
297.24408	100.0
298.24759	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	299.0203
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
51.04485	0.2
62.39262	0.3
63.02288	2.2
65.00208	1.5
69.77243	1.4
71.48811	0.3
73.10426	0.3
83.01256	0.8
89.00240	0.4
91.01808	0.5
94.98253	0.3
97.01411	0.3
101.03842	0.3
106.25093	0.3
107.01289	2.1
109.02847	3.1
115.05481	0.4
117.03361	1.1
119.01283	0.7
131.04988	0.3
133.02876	6.0
135.00752	0.8
136.88995	0.3
143.04953	2.3
145.02878	5.0
147.00803	0.7
147.04431	0.6
151.00323	2.2
155.04929	1.1
155.97379	0.3
157.02917	1.9
159.04485	0.5
161.02385	0.3
163.03944	0.3
168.49422	0.3
169.02904	0.3
170.03709	0.4
171.04478	4.6
172.04793	0.3
173.02388	1.2
175.03978	2.5
176.04228	0.3
182.03680	0.6
183.04469	0.9
185.02460	0.6
187.03984	2.6
189.01996	0.5
189.05508	0.4
197.02423	1.0
198.03181	1.7
199.03990	10.1
200.04279	0.7
201.01944	3.9
203.03473	0.8
210.79213	0.3
213.01938	0.7
214.02614	0.7
215.03516	4.0
225.01929	0.5
226.02730	1.9
227.03499	4.8
242.02179	1.2
243.03011	5.4
244.03667	0.3
248.60637	0.3
255.02950	1.4
271.02533	60.2
272.02850	4.2
282.01746	0.5
299.02029	100.0
299.16580	9.1
300.02411	6.8
300.16907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2442
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
56.94714	0.3
59.01265	1.2
67.23987	0.3
70.92061	0.9
74.18058	0.3
90.46932	0.3
116.21131	0.4
117.03390	0.3
121.02840	0.5
125.09639	0.7
127.11207	1.9
133.18005	0.3
145.02971	0.3
153.12724	0.4
171.10231	9.9
172.10469	0.5
251.23796	0.4
279.23337	10.5
280.23779	1.0
295.22876	0.7
297.15494	2.1
297.24417	100.0
297.69012	0.3
298.24792	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	297.2441
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01259	1.6
70.23956	0.9
70.24348	1.1
85.25586	0.4
103.81311	0.5
117.03421	0.5
119.04919	0.6
121.02859	0.9
127.11204	1.0
139.11203	0.4
141.12755	0.7
145.02855	1.6
155.10736	2.9
171.10231	5.4
279.23343	7.7
280.23718	1.1
295.22974	0.7
297.15390	2.3
297.24414	100.0
298.24728	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	297.112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
61.98698	6.0
69.44685	43.4
71.01264	6.8
74.47360	4.8
78.95813	10.0
85.84161	5.6
89.02364	6.1
92.66041	5.8
96.95905	7.9
96.96854	5.9
98.20540	10.1
101.02373	9.9
109.02822	6.3
117.03429	7.5
119.05034	5.0
121.02914	5.5
123.93275	4.9
129.84999	4.9
133.02922	6.8
135.04449	6.7
141.59714	4.7
145.02913	9.2
213.16347	5.5
225.99066	6.2
245.01697	5.0
253.08591	6.9
274.18521	5.1
297.15005	15.3
297.24423	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36076	0.3
59.01251	0.6
69.37026	2.7
90.08612	0.3
121.02843	0.2
145.02843	0.3
161.28090	0.3
182.53082	0.3
211.04416	0.2
251.23891	1.3
279.23370	0.7
295.22882	1.2
297.24423	100.0
298.24777	10.6
303.42657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.8
59.01265	10.8
60.01574	0.4
69.94606	2.5
71.01267	3.2
73.02792	0.5
85.02835	1.2
89.02329	3.2
97.06459	0.5
98.19862	0.7
101.02347	1.8
103.37075	0.5
113.02329	0.8
113.09629	1.7
114.09949	0.5
117.03381	2.7
119.03423	1.4
119.04945	2.7
121.02887	2.4
123.03419	0.4
123.04388	1.1
135.04405	0.7
135.06555	1.0
145.02893	7.4
152.11618	0.5
161.04462	1.3
162.03172	2.1
163.03972	1.8
177.21927	0.4
179.05574	1.2
180.14713	0.5
183.01161	1.2
183.13779	0.8
184.14186	1.9
195.13898	7.1
196.14243	14.9
234.23111	0.6
237.09753	1.6
252.24094	0.7
253.16019	0.5
260.21240	0.4
271.23737	0.5
271.50375	0.5
278.22134	18.1
279.22632	1.3
285.92441	0.4
296.23184	100.0
297.11899	2.4
297.15024	17.9
297.24014	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	295.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68046	0.9
54.21864	0.9
59.01265	22.4
64.43739	0.9
70.66066	3.7
71.01286	2.2
73.02843	1.1
85.02843	0.9
99.04439	0.9
101.02361	1.8
105.70733	0.9
113.02355	1.6
161.04440	1.9
209.13628	1.6
209.15471	24.7
210.15770	1.7
223.17047	12.2
235.08415	2.2
253.18115	1.7
265.21817	2.0
277.21780	41.3
278.22086	3.0
295.22830	100.0
296.23209	9.3
297.44324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.8
59.01267	9.9
60.31524	0.4
60.95975	0.4
61.62993	0.4
70.84559	0.4
70.86691	0.6
70.87029	0.7
71.01270	0.9
85.02877	0.5
101.02343	0.5
102.65011	0.3
109.04837	0.4
125.09667	0.7
141.12805	1.6
151.11258	0.9
153.12805	0.8
161.04529	0.4
163.07925	0.4
169.12292	2.9
171.10277	0.8
197.11823	1.6
235.08263	0.7
251.23766	1.5
277.21786	8.6
278.22339	0.7
295.22845	100.0
296.23178	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	295.2286
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.65388	0.3
57.00626	0.4
59.01047	0.3
59.01270	3.7
68.56887	0.3
69.03347	0.6
70.55826	0.4
71.52348	0.6
78.56251	0.4
83.04882	0.4
85.02841	0.4
95.04947	0.4
127.11214	1.1
141.12781	8.4
142.13171	0.5
155.14377	3.8
161.04416	0.5
192.87839	0.3
235.08200	0.5
237.56099	0.4
247.20653	0.5
249.22276	8.5
250.22635	0.5
277.21683	1.3
295.22839	100.0
296.23172	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	295.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.1
59.00989	1.4
59.01266	14.2
59.24276	0.8
69.97616	4.9
71.01271	0.9
73.02805	0.9
80.16576	0.8
81.12973	0.8
96.17832	0.8
97.06492	0.9
101.02326	1.2
102.65398	0.8
113.09635	2.2
116.78813	0.7
161.04553	1.6
164.34911	1.0
181.12263	1.2
183.13887	2.5
195.13898	22.6
196.14383	1.1
235.08273	1.8
277.21793	21.8
278.22095	2.6
295.22864	100.0
296.23184	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	295.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.9
59.01269	17.4
63.77927	0.7
69.03346	1.2
71.01273	3.0
73.02833	0.9
83.04900	1.0
83.65336	0.8
87.00768	0.7
96.95924	0.8
98.20548	2.4
99.08028	0.8
101.02344	2.3
105.79096	0.8
109.06450	0.7
111.08054	1.9
113.09628	3.2
134.31778	0.7
135.11703	0.9
145.34988	0.7
157.08649	67.6
158.08968	2.8
161.04544	1.0
172.77573	0.7
182.78531	0.9
183.17290	0.7
200.43474	0.8
205.19545	1.2
235.08282	1.4
259.20877	0.9
277.21783	57.4
278.22162	4.8
282.64258	0.8
295.22864	100.0
296.23187	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	295.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76035	0.6
57.03331	0.8
58.90162	0.6
59.01251	1.9
70.87112	2.0
71.32619	0.7
75.26785	0.7
82.44370	0.7
97.06470	0.7
118.54694	0.6
125.09641	2.9
127.11215	1.2
155.10796	0.9
155.14323	0.8
166.91908	0.7
168.55806	0.6
171.10228	46.3
172.10559	1.2
183.10236	2.7
229.32590	0.7
233.22665	0.7
238.95039	0.8
251.23776	0.9
277.21793	57.9
278.19507	0.7
278.21976	4.1
295.22852	100.0
296.23132	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2285
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.41372	0.4
55.22980	0.3
57.03344	0.4
59.01253	1.3
69.39185	2.4
69.39609	1.3
74.66457	0.3
83.04911	0.5
113.09650	1.8
171.10043	0.4
177.12856	0.4
179.14325	0.9
181.12288	0.6
195.13879	15.2
196.14166	0.4
277.21759	14.2
278.22144	1.2
295.22842	100.0
296.23184	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2284
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.78814	0.5
57.03338	0.7
58.29273	0.6
59.01276	1.3
59.84621	0.4
69.03323	0.7
69.39368	5.1
69.39700	0.7
77.88935	0.6
98.19797	0.8
99.08086	0.6
125.09574	0.8
141.12752	1.1
154.35036	0.5
167.08037	0.5
171.10225	36.3
172.10541	1.8
183.10223	1.0
185.11830	0.5
275.20367	0.5
277.21774	43.7
278.22141	4.3
282.52606	0.6
295.22845	100.0
296.23212	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84650	0.2
59.01272	2.1
61.49464	0.2
69.72536	0.5
69.72952	1.1
71.01269	0.3
81.03353	0.2
99.69283	0.2
120.71043	0.3
187.53191	0.3
228.16434	0.3
265.21835	2.0
277.21762	3.7
278.22122	0.5
293.21405	0.7
295.22839	100.0
296.23166	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	295.2284
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
54.14096	0.2
57.03331	0.4
59.01263	3.8
70.02905	1.1
71.01292	0.5
78.91945	0.2
85.02826	0.2
98.19885	0.3
101.02357	0.3
109.06437	0.3
111.04469	0.2
125.06059	0.2
125.09633	0.4
134.07317	0.3
137.05988	0.4
138.06865	0.6
139.07594	0.3
141.12743	0.3
151.07552	1.1
155.10779	0.3
161.04588	0.3
164.08356	0.4
170.05800	3.8
171.08755	0.5
171.10222	9.6
172.10622	0.3
183.10231	1.0
183.13850	0.2
195.13893	1.2
233.19121	0.9
249.18597	0.4
251.20251	3.3
259.17282	0.2
277.18146	66.4
277.21695	13.2
278.18472	5.5
278.21976	0.7
295.19223	100.0
295.22797	38.0
296.19559	8.4
296.23187	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	295.1193
Annotation	Amotin
Peak:m/z	Relative Intensity
52.51276	1.1
55.01774	1.4
57.03331	7.9
59.01262	17.2
67.05550	1.1
69.03333	3.6
69.51991	7.2
71.01262	2.2
71.04904	1.7
73.02828	3.9
75.10383	1.2
80.02576	1.9
81.03371	1.5
83.04912	6.4
85.02834	7.7
85.06490	1.7
93.03371	1.7
95.04924	25.0
97.02830	3.1
97.06456	1.4
98.03654	1.5
107.04918	2.8
109.02853	4.4
109.06488	5.4
111.04427	18.6
111.08054	4.1
113.02332	2.7
113.05995	27.0
115.03902	5.8
119.04946	2.2
119.08572	1.9
120.05632	1.6
121.06528	8.0
122.03623	2.0
123.08031	5.6
124.05183	2.7
133.06500	2.8
135.08070	1.6
137.06003	5.2
137.09624	3.6
138.06757	2.2
139.07559	6.6
147.08055	3.0
149.09663	10.9
151.07610	2.7
155.07039	2.1
161.06039	2.5
163.03963	2.2
163.11208	4.3
165.09146	7.8
171.11757	8.5
173.09685	2.6
189.12814	96.6
190.13091	4.4
207.13892	9.9
233.11876	1.9
251.12907	100.0
252.13268	6.5
295.06375	2.8
295.11926	85.1
296.12299	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.5
57.00996	1.1
57.03316	1.3
58.00475	3.0
59.01266	100.0
60.01577	1.8
62.76433	1.4
69.72872	1.2
70.77626	2.0
70.77973	3.0
71.01271	48.4
72.99197	4.2
73.02853	1.5
82.35785	1.2
83.01283	3.3
85.02840	9.9
87.00771	2.0
87.16802	1.2
87.20718	1.1
89.02338	47.5
95.01278	3.6
98.19961	2.2
101.02346	31.0
113.02359	16.2
119.03422	21.6
128.06737	1.3
133.04971	1.8
143.03383	2.4
173.51469	1.2
179.05617	3.0
265.44287	1.5
295.10419	86.1
296.10742	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	295.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75023	1.0
57.03346	1.1
58.00478	3.8
59.01268	100.0
71.01273	51.0
71.23690	1.0
71.24031	2.4
72.01591	0.9
72.99195	4.7
73.02850	1.2
76.12270	0.9
83.01289	2.4
85.02841	11.9
85.20277	1.0
87.00788	1.6
89.02339	62.9
89.15995	1.0
89.59450	1.0
95.01295	4.3
97.93837	1.1
99.00752	1.4
99.46542	1.0
101.02353	35.9
113.02353	20.7
115.03910	1.3
119.03426	22.3
131.03435	1.2
133.04961	1.9
143.03477	1.9
149.04509	1.2
161.04488	2.2
200.60130	1.0
295.10416	89.8
296.10767	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	295.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
57.03320	2.3
58.00477	1.8
59.01265	69.8
62.54888	0.6
69.95594	4.0
71.01270	39.1
72.99203	2.3
73.02813	1.5
74.98982	0.7
78.95792	1.5
83.01274	2.1
85.02844	7.0
87.00774	2.9
89.02335	41.7
95.01280	3.1
96.49706	0.7
99.04436	0.8
101.02343	24.0
113.02362	15.0
115.00280	1.9
115.03930	2.2
116.07084	2.4
119.03404	18.6
123.69478	0.9
125.39252	0.8
131.03464	1.2
133.04970	1.9
143.03436	1.7
149.04459	1.2
161.04477	2.3
171.75293	0.8
174.50890	0.8
179.05519	2.2
207.06941	0.9
218.42896	0.7
242.62662	0.8
295.10403	100.0
296.10788	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	293.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05707	0.4
57.03357	0.7
59.01264	2.5
61.27090	0.5
68.71735	0.5
69.03345	0.9
71.01275	1.4
71.61087	0.5
71.61492	0.7
72.99210	1.1
83.04917	0.9
85.02843	0.7
89.02363	0.9
96.95911	0.7
101.02335	1.1
113.09675	0.6
116.68806	0.5
123.08118	0.6
125.09627	0.6
139.11208	2.8
153.12807	1.9
161.04460	0.6
171.10246	0.8
174.74898	0.5
191.18022	3.0
193.15955	0.9
220.14671	2.4
221.15536	3.1
224.14192	0.8
236.10574	3.2
247.20651	2.6
275.20261	1.2
276.65628	0.5
291.19748	0.6
293.08908	1.3
293.21317	100.0
294.21674	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	294.2081
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
57.03080	0.7
57.03339	2.6
59.01265	9.3
66.03368	0.9
67.24496	0.6
68.04940	5.2
69.03324	1.1
69.61472	0.6
71.01265	0.9
83.04900	0.7
84.04442	2.1
85.02824	0.7
92.04976	0.9
94.02867	5.5
94.06510	0.7
110.06013	3.2
113.02410	0.8
119.39795	0.6
122.06047	2.4
123.70190	0.6
138.09167	1.2
153.12810	6.8
155.14391	1.8
169.15918	5.3
179.14418	1.8
181.15945	5.4
194.15504	0.8
195.17525	23.4
196.17825	1.0
204.17534	3.0
206.15431	1.2
207.16194	0.6
209.19092	1.0
214.62276	0.6
220.17061	0.6
222.18629	100.0
223.18962	6.5
230.26744	0.9
232.20726	1.2
235.08171	0.6
248.20311	0.9
250.21790	97.2
251.22115	5.5
294.20801	87.3
295.21118	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	293.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12129	0.4
59.01260	1.4
69.30016	5.2
95.98506	0.4
98.20549	1.2
111.08062	0.6
121.10180	0.8
148.14059	0.5
167.10771	0.6
171.10233	1.1
179.14380	1.3
181.12341	0.6
195.13875	12.1
196.14555	1.5
205.12274	1.3
205.16000	0.6
211.13312	0.9
223.13388	12.1
224.13795	0.7
228.13635	1.0
231.21286	0.7
256.13205	3.8
275.20233	8.5
276.20541	1.0
293.21307	100.0
294.21628	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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.9
62.06701	0.9
69.29136	10.4
79.99718	0.9
98.19778	1.7
116.13616	0.9
121.09284	1.9
121.10155	32.3
125.09623	1.3
127.11250	1.2
136.96031	0.8
171.10234	59.0
171.29807	1.0
172.10559	3.5
173.25967	0.9
185.11771	2.1
231.21188	3.7
275.20236	100.0
276.20630	7.3
293.21326	61.3
294.21667	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	293.2131
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
52.93893	0.5
56.22217	0.6
56.59984	0.5
57.03327	1.5
59.01266	9.5
60.60957	0.5
69.03343	1.1
70.14256	2.8
71.01255	3.6
72.93918	0.5
83.01290	0.5
83.04897	1.0
84.28784	0.5
85.02840	1.5
89.02319	2.8
97.06483	0.7
101.02348	0.6
106.03650	0.6
113.02386	0.7
113.09663	1.0
122.32265	0.6
123.08030	0.9
125.02339	0.6
131.03445	0.9
151.11234	1.9
153.12776	0.9
161.04549	1.3
169.12294	1.5
171.10356	0.7
192.11508	1.1
193.15941	1.6
197.11810	27.6
198.12177	1.8
206.29092	0.6
209.15062	0.6
220.14667	2.6
221.15495	5.7
222.18700	3.8
231.21112	0.9
236.10573	4.1
249.18719	1.4
249.22275	1.5
250.21753	4.2
275.20215	18.2
276.20587	1.1
293.08920	3.5
293.21286	100.0
294.21356	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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38196	0.4
57.03328	1.3
59.01269	0.7
70.14599	1.3
70.15015	0.7
80.82796	0.3
82.27624	0.3
89.02377	0.4
96.95912	8.5
97.06482	0.9
121.10107	0.5
123.08070	0.9
125.09637	3.3
141.12788	1.2
149.09645	1.4
167.14308	0.4
185.11800	8.5
197.11812	1.8
221.15416	0.6
249.22304	0.6
275.20135	0.6
293.18188	6.0
293.21286	100.0
294.18387	0.6
294.21600	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86543	0.6
59.00993	0.8
59.01266	10.3
62.98689	0.5
64.75272	0.6
69.03326	0.8
69.40073	0.6
70.78368	0.7
70.78740	1.8
71.01270	3.1
89.02328	1.2
112.16798	0.6
113.06018	0.7
121.10114	0.9
141.22211	0.6
151.42453	0.5
161.04565	1.0
196.07018	0.6
209.15486	0.9
220.14734	1.3
221.15488	2.2
223.00034	0.6
231.21198	1.8
236.10555	1.8
237.18649	0.9
249.18607	0.7
263.20206	14.6
264.20642	1.3
265.21683	1.0
275.20233	33.8
276.20544	2.7
293.08804	2.5
293.21298	100.0
294.21564	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21928	0.4
57.03350	3.1
59.01268	3.8
71.01265	1.3
71.14194	0.5
71.14550	0.8
83.04905	0.6
97.06474	0.8
109.06465	0.5
113.09639	8.3
121.10157	8.6
123.08079	0.6
125.09644	1.8
139.11218	1.0
141.12747	0.8
149.09616	0.6
167.10728	1.3
171.10237	17.6
172.10571	0.7
179.10802	1.0
183.10291	1.1
185.11789	5.0
195.13908	1.5
197.11815	1.9
220.14694	1.0
221.15448	1.6
231.21223	1.4
235.17038	2.2
236.10599	1.3
249.22200	1.0
255.31804	0.4
275.20239	24.0
276.20587	1.9
293.08917	1.4
293.21317	100.0
294.21655	9.0
294.24835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.7
69.45764	1.1
69.46187	0.6
78.88515	0.2
81.00453	0.2
81.52340	0.2
83.18566	0.2
97.06499	0.8
98.20482	0.5
121.10118	0.2
123.08043	0.5
123.50598	0.2
125.09648	4.1
138.49367	0.2
141.12770	1.1
149.09689	1.5
151.11157	0.2
167.14307	0.2
185.11795	7.7
186.12164	0.5
197.11824	2.1
249.22234	0.8
258.86511	0.2
275.20148	0.5
293.21292	100.0
294.21631	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	293.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17109	1.2
59.01268	17.1
71.01266	7.4
73.02815	1.5
80.41743	1.2
81.03336	1.7
85.02859	2.8
89.02343	6.4
97.02938	1.2
98.20567	2.3
99.00820	1.3
101.02374	2.2
104.48908	1.2
110.39114	1.2
131.03389	2.2
131.07018	1.6
136.08867	2.8
161.04497	3.6
165.92526	1.2
177.16354	1.7
184.42265	1.3
192.11490	2.9
193.15950	9.4
205.12357	2.1
209.15460	100.0
210.15819	5.0
220.14680	7.9
221.15456	19.1
223.07709	1.8
231.21118	3.5
233.10136	2.1
236.10559	13.4
237.11102	2.0
249.18677	2.9
275.20224	67.7
276.20560	5.0
293.08862	10.1
293.11969	1.9
293.17734	5.5
293.21277	82.3
294.21628	5.8
301.45270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10235	1.1
57.03331	2.3
59.01266	9.9
70.74739	2.5
70.75105	2.2
71.01272	3.8
71.01673	1.1
75.74888	1.0
89.02332	3.9
96.95914	3.3
103.74502	1.3
106.65025	1.1
110.33455	1.1
125.09634	3.9
130.18416	1.3
161.04521	2.8
170.45679	1.1
171.10162	3.4
175.57463	1.0
185.11798	9.2
186.30000	1.3
193.16037	1.9
197.11797	3.6
220.14755	3.1
221.15440	7.3
236.10481	5.6
275.20288	5.5
293.08838	5.4
293.18039	4.1
293.21289	100.0
294.21664	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	293.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	4.8
58.26721	0.2
59.01265	5.3
61.98738	0.3
62.46084	0.2
70.68039	0.7
71.01279	1.5
71.04916	0.3
83.04874	0.3
85.02851	0.3
85.06476	0.5
89.02358	1.0
94.04426	0.2
97.06492	0.9
98.19823	0.3
109.06501	0.7
113.09636	20.5
114.09980	0.5
117.42238	0.2
121.10168	0.3
125.09663	0.2
131.03416	0.4
135.11714	0.3
139.11232	1.9
141.09100	0.4
149.09644	0.7
161.04521	0.5
167.10722	2.5
177.12840	1.1
179.10733	1.8
192.11548	0.3
195.13872	3.2
195.17458	0.3
205.12379	0.3
217.07233	0.3
220.14688	1.6
221.15446	3.2
221.18828	0.3
222.15779	0.5
233.10347	0.6
236.10556	2.3
237.10779	0.3
249.22314	2.1
250.22778	0.2
272.16772	0.2
275.20074	0.7
278.03922	0.2
293.08826	0.9
293.21292	100.0
294.18262	0.5
294.21622	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2129
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
54.18790	1.2
59.01268	8.0
62.62310	1.2
71.01265	5.4
71.56956	1.7
71.98046	1.4
85.02819	1.5
89.02341	2.9
94.59046	1.2
96.95906	15.1
99.08041	1.9
120.01438	1.2
139.11195	11.3
153.09157	1.7
161.04469	1.7
171.10225	42.8
172.10466	2.1
185.11729	1.6
192.11493	1.4
193.12350	2.0
198.06543	1.2
210.90033	1.5
220.14650	4.7
221.15532	9.9
236.10535	4.7
255.44949	1.3
265.21835	1.4
275.20126	3.2
277.95193	1.4
293.08789	5.2
293.17944	16.2
293.21234	100.0
293.24759	3.5
294.21692	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82514	0.5
55.01767	0.6
57.03330	0.7
58.00480	2.2
59.01268	50.9
60.01594	0.6
70.11005	2.1
71.01273	27.2
72.99224	2.5
73.02833	1.2
83.01288	2.4
85.02845	6.4
85.06490	20.2
87.00778	2.2
89.02341	27.0
95.01295	2.4
97.47745	0.6
99.00800	0.6
99.08099	0.5
101.02354	17.3
101.03017	1.1
113.02360	9.8
113.06007	5.7
114.74489	0.6
115.07595	2.5
119.03439	8.9
127.07561	2.1
127.23482	0.6
129.05563	0.6
129.09105	0.8
131.07072	76.4
132.07404	2.0
140.78856	0.5
143.03523	0.8
161.04555	1.2
173.08145	1.8
179.05644	0.9
193.27071	0.6
221.81210	0.6
245.34117	0.5
293.12512	100.0
294.12799	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	293.1767
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
59.01251	0.3
69.86539	1.3
71.01270	8.2
72.98233	0.2
96.14732	0.2
127.07559	1.0
148.05214	0.8
151.07549	0.6
164.08377	0.9
177.09174	4.3
178.09651	0.2
192.11526	6.9
193.12128	0.8
205.12343	5.6
207.13887	1.0
217.08760	0.6
218.09465	1.9
220.14697	47.2
221.15469	100.0
222.15819	4.8
235.13458	1.0
236.10562	70.9
237.10924	3.7
293.17679	11.6
293.21112	0.9
294.18118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66598	0.4
59.01260	2.2
60.81840	0.4
71.01271	1.9
79.95647	1.8
83.72092	0.4
89.02332	1.1
95.95155	0.6
96.95922	100.0
98.20644	1.1
99.84196	0.4
101.10137	0.4
118.78703	0.4
121.92095	0.4
131.03502	0.5
149.18257	0.4
161.04468	0.8
170.83289	0.4
220.14668	1.1
221.15492	2.1
236.10571	1.9
275.20221	0.5
293.09009	1.3
293.18033	76.0
294.18332	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.1
57.03338	0.5
58.00483	1.7
59.01266	38.9
70.43452	1.2
71.01270	20.1
72.99218	1.4
73.02852	1.1
75.00777	0.4
78.95776	0.5
83.01311	1.7
83.01740	0.4
85.02846	4.9
85.06484	16.0
86.06814	0.4
87.00775	1.4
89.02341	23.8
90.02688	0.5
92.13529	0.4
95.01297	1.5
96.96910	0.5
99.00767	0.7
101.02349	15.1
101.05979	0.5
113.02359	9.4
113.05981	3.9
115.07592	2.4
119.02595	0.7
119.03424	9.8
127.07578	2.0
131.07069	73.1
132.07390	1.9
143.03429	0.8
149.04509	0.6
155.07103	0.4
161.04512	0.8
173.08188	2.4
179.05577	1.1
185.08253	0.4
221.15523	0.5
222.36084	0.4
245.90306	0.3
293.12500	100.0
294.12848	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	293.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.6
71.01283	0.5
79.95604	1.2
87.00753	0.2
89.02343	0.3
96.95911	100.0
97.95845	0.2
98.20599	0.3
113.09631	2.6
117.11775	0.2
132.23296	0.2
134.03664	0.7
135.04471	0.4
178.02681	0.5
223.71529	0.2
249.11667	2.9
275.09729	0.2
293.10724	31.4
294.10931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71636	0.1
59.01256	0.7
66.03084	0.2
66.43211	0.2
71.01251	0.3
71.56089	0.3
73.02842	0.2
79.95603	1.1
84.56952	0.2
89.02292	0.2
96.95909	100.0
97.95830	0.2
113.09631	2.6
134.03633	0.3
135.04430	0.2
141.83665	0.2
178.02640	0.2
180.19342	0.2
190.04494	0.3
205.06972	0.2
249.11662	2.2
293.10709	28.4
293.21286	0.5
294.11066	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	293.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11621	0.3
55.01781	0.6
57.03330	0.4
58.00482	1.7
59.01266	27.9
60.01594	0.6
68.97829	0.4
69.73228	1.8
69.73631	0.9
71.01272	14.8
72.99191	1.2
73.02846	1.0
75.00710	0.4
78.18408	0.4
83.01291	1.3
85.02831	3.7
85.06484	11.0
85.07004	0.5
87.00776	1.2
89.02338	19.1
91.65499	0.4
93.63551	0.4
95.01271	0.9
99.00783	0.7
101.02345	13.6
113.02349	6.4
113.05993	4.5
113.97810	0.4
115.07564	1.5
119.03416	7.1
127.07589	1.1
131.07066	55.6
132.07394	1.7
139.57848	0.4
143.03406	0.7
161.04510	0.6
173.08098	1.3
179.05545	0.9
205.90167	0.4
215.10239	0.4
220.44788	0.3
293.12491	100.0
294.12802	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1041
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
51.22903	1.3
57.03332	5.2
59.01273	8.6
61.98709	1.6
67.01801	1.5
69.03331	2.9
70.90723	3.9
71.01283	4.2
72.99181	1.3
73.02831	2.2
78.95797	10.0
79.05441	4.5
80.96395	1.3
81.03358	2.6
83.01276	1.9
83.04910	4.4
85.02838	9.1
87.00790	2.3
89.02336	2.2
93.03365	4.1
95.01311	2.2
95.04929	16.5
96.95916	3.0
96.96842	4.1
97.02854	22.0
97.06509	2.9
99.04427	1.8
101.02338	3.7
105.06983	1.7
107.04926	9.8
108.02065	1.7
109.02870	14.7
109.06512	13.1
111.04437	20.1
111.08064	4.5
113.02351	2.9
119.04945	11.7
121.06514	10.7
122.03661	75.1
123.04530	6.6
124.05218	38.3
125.02349	2.2
125.06028	8.5
129.01860	7.6
133.02895	7.9
134.03664	15.6
135.04456	22.5
135.08087	3.7
136.05229	5.9
137.05042	2.4
137.06021	33.8
137.09561	2.2
137.56146	1.8
138.06813	22.6
139.07582	100.0
140.07901	3.1
145.06477	3.0
145.10172	4.0
147.02931	6.5
147.08070	5.4
149.05992	4.1
149.09695	1.7
149.46797	1.6
151.07571	2.0
157.06602	2.1
160.01616	5.4
161.04546	1.3
161.06056	2.1
161.09663	1.7
162.06743	2.6
163.03966	9.3
163.07584	8.4
163.11252	8.1
165.05634	2.1
169.10185	2.0
171.08110	15.3
172.08772	2.4
173.04584	1.6
175.03969	3.8
175.07588	4.0
177.01849	1.6
177.12828	4.0
178.02704	3.4
185.09674	5.0
187.11250	81.3
188.11624	3.8
189.09183	6.9
190.09990	16.1
191.05521	1.6
191.07175	1.4
203.10855	2.4
205.12334	55.3
206.06511	7.0
206.12651	2.4
206.56754	1.6
221.15363	2.4
231.10316	15.1
234.09065	1.6
249.11348	36.4
250.11737	2.5
278.07907	2.7
293.05246	2.8
293.10385	71.7
293.21542	2.7
294.10773	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	293.104
Annotation	Angelitriol
Peak:m/z	Relative Intensity
57.03321	1.3
59.01265	2.2
71.01276	1.9
71.04918	0.7
71.62531	0.6
71.62960	0.7
73.02851	1.7
77.03852	0.8
78.95801	8.6
81.03336	1.7
82.63203	0.6
83.01285	4.0
83.04942	0.7
85.02830	1.0
87.04411	2.1
91.05436	0.7
93.03352	1.1
95.04910	2.8
96.96845	3.7
97.02853	1.2
99.04414	1.0
105.03379	8.3
107.32570	0.6
108.02053	1.0
109.02863	1.5
109.21574	0.6
111.04441	1.1
113.05978	2.8
117.03371	0.8
117.05493	1.1
119.04939	2.1
121.02882	2.6
122.03652	1.3
123.04446	2.8
127.03946	1.7
132.02103	11.8
133.02885	66.8
134.03688	35.4
135.04390	2.2
136.01584	2.8
136.26997	0.7
137.02391	7.5
139.03918	1.8
146.03746	1.0
147.04453	8.6
148.05260	5.2
149.02393	1.7
149.06015	17.4
150.03152	1.8
150.06268	0.8
151.03966	4.4
153.05521	1.8
154.02612	0.8
159.04514	4.8
160.01613	61.0
160.05215	5.1
161.02087	2.4
161.06012	5.2
162.03172	1.4
162.06773	2.5
163.03864	0.8
163.07603	2.3
173.06035	1.5
174.06897	1.1
175.03973	67.6
175.07513	7.1
176.04466	3.3
177.01912	17.0
177.05505	1.2
178.02699	7.6
179.03508	1.0
186.06786	1.1
187.07567	0.8
189.05504	2.0
189.09238	0.9
190.06436	0.8
191.07121	0.9
192.04221	1.1
193.05035	17.6
193.48134	0.7
203.07147	2.9
204.04303	2.1
204.07890	4.2
206.06531	1.6
208.30368	0.6
216.07875	2.4
217.05072	1.1
218.05832	1.1
219.06621	1.7
219.10258	3.1
231.10260	1.2
234.08968	9.1
235.09462	0.7
236.06952	0.7
248.06993	0.8
249.11430	2.5
278.08023	46.2
279.08401	2.3
292.19302	0.8
293.10410	100.0
294.10876	6.8
304.67947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1927
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
59.01265	7.4
68.02419	0.7
71.01265	1.6
78.95827	1.0
85.02872	0.6
89.02306	1.3
92.08527	0.5
104.60982	0.6
119.04913	0.6
119.53658	0.6
153.16541	0.6
156.13889	100.0
157.14212	4.5
161.04413	0.8
187.81960	0.6
188.25993	0.6
200.12897	6.8
220.14638	3.5
221.15468	5.7
233.10339	1.0
236.10490	4.2
248.21141	0.7
264.75269	0.6
292.20029	10.6
293.08838	1.0
293.17654	1.6
293.21289	7.5
308.85498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1973
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
58.66357	0.4
59.01258	1.0
70.14557	0.7
70.14955	1.0
71.01263	0.5
73.02834	52.9
74.03157	0.9
78.07496	0.4
98.20578	0.4
105.29491	0.4
119.04800	0.4
201.94164	0.4
253.25641	0.5
288.59290	0.4
291.19720	100.0
292.20047	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06219	0.3
57.03330	1.4
64.10194	0.4
71.35085	0.9
75.17188	0.5
93.06985	0.9
95.04900	0.6
97.06479	1.8
121.10146	15.1
123.08093	0.5
125.09641	6.6
141.12785	1.5
147.08092	0.7
185.11804	14.6
186.12146	0.8
197.11819	4.0
209.11787	1.4
211.13344	1.5
223.13409	0.7
247.13452	1.4
247.20761	0.5
260.16092	0.4
273.18719	1.5
291.19720	100.0
292.20087	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	291.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59716	0.5
57.03321	1.4
59.01269	3.7
62.17760	0.5
68.93513	0.6
71.01263	0.8
71.58219	0.9
71.58590	0.6
83.04911	0.6
85.02839	0.6
93.07027	0.6
97.06500	1.5
111.08079	5.0
119.04953	5.0
121.02834	2.7
121.10163	9.0
123.08103	1.6
125.09665	4.9
136.74170	0.5
137.09720	0.7
145.02846	1.2
150.87354	0.7
163.03961	3.5
177.12770	1.1
179.10703	0.6
185.11816	8.8
186.12119	0.7
192.95830	0.6
195.13928	2.9
197.11827	1.7
198.06329	0.6
209.04515	1.2
209.11818	0.6
211.13335	1.2
223.13469	0.6
247.20734	1.3
254.39110	0.6
273.18604	1.3
283.47287	0.7
291.09021	2.3
291.19736	100.0
292.20074	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1974
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
57.03320	1.3
59.01252	2.8
63.27288	0.5
71.04903	8.2
71.58112	0.9
90.35745	0.6
93.06980	1.3
97.06497	3.7
116.36322	0.6
119.04932	4.0
119.08566	2.4
121.02850	1.8
121.10152	8.3
123.08091	1.1
125.09622	3.7
141.87531	0.6
147.08080	0.9
153.03520	0.6
163.03906	3.2
165.12758	0.8
170.67180	0.6
171.10211	2.3
185.11816	9.3
196.14684	0.6
197.11789	2.3
207.14030	0.7
209.04559	1.1
219.13889	1.1
229.19563	1.7
235.17012	1.6
247.16844	0.7
247.20708	2.0
273.18707	4.2
286.95319	0.5
291.19724	100.0
292.20108	9.6
309.50964	0.7
310.81128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1974
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01263	0.8
61.98723	0.3
65.61790	0.3
69.65152	1.2
69.65572	1.0
74.86015	0.3
95.04966	0.5
97.06522	0.5
108.62242	0.4
117.73894	0.4
119.04949	1.5
121.02892	0.5
125.05962	0.4
145.23132	0.3
147.07878	0.3
148.08914	1.4
149.09624	0.6
150.10461	0.8
151.11223	0.6
163.03969	1.5
163.11180	1.4
165.12799	21.4
166.13142	0.9
175.11192	0.5
176.12054	0.5
177.12784	0.6
179.14308	0.4
192.11603	0.3
209.04791	0.3
217.15840	0.4
247.20717	11.4
248.21031	0.7
273.18658	5.6
273.21408	0.2
291.19727	100.0
292.20065	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18642	0.3
59.01272	0.6
61.26262	0.3
70.89376	0.5
70.89747	1.0
74.52099	0.3
85.02843	1.4
87.88942	0.3
93.03348	0.6
95.50655	0.4
96.96825	0.5
99.98010	0.3
117.03358	2.8
117.84508	0.3
119.04948	100.0
120.05292	4.0
121.02867	0.4
145.02896	6.6
163.03963	93.9
164.04326	4.4
273.07773	1.0
291.08835	14.6
292.09149	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	291.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.5
59.35686	0.4
60.55437	0.4
63.27672	0.4
65.67034	0.4
71.01239	0.7
75.51238	0.4
78.95809	1.0
85.02831	2.1
89.02290	0.5
93.03338	0.7
96.95921	1.2
96.96867	1.0
117.03398	2.4
119.04945	100.0
120.05276	4.0
123.04408	0.5
126.19974	0.4
145.02882	7.4
163.03958	83.8
164.04323	3.7
229.50374	0.6
273.07788	1.4
291.08823	10.3
291.11871	0.9
291.18298	0.6
292.09061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	1.0
69.52203	1.5
69.52629	1.4
71.01255	0.6
78.95783	1.5
82.02856	0.6
85.02833	1.9
87.00786	0.6
93.03371	0.8
96.95882	0.7
96.96867	1.2
98.19735	0.8
99.04456	0.5
117.03377	3.5
119.04945	100.0
120.05275	4.0
145.02890	9.0
146.03212	0.5
147.43550	0.3
163.03957	80.2
164.04301	3.1
164.07143	0.5
187.04019	0.5
194.62271	0.3
246.07637	0.8
273.07779	1.2
274.07550	0.5
291.08856	12.3
291.19843	0.5
292.09171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98736	0.4
53.48782	0.4
59.01260	0.5
69.82576	2.1
71.01274	0.5
78.95789	1.5
85.02852	1.6
96.96882	0.6
98.20467	0.9
98.74881	0.3
112.80885	0.4
117.03364	2.7
119.04945	100.0
120.05273	3.1
145.02902	7.9
163.03958	95.4
164.04288	3.5
191.05579	1.1
216.80212	0.4
240.83351	0.4
273.07770	1.5
291.08847	11.4
291.11844	0.4
292.09036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04751	0.5
55.56674	0.5
59.01251	1.5
70.34688	2.3
71.01253	0.8
76.89619	0.5
78.95795	100.0
85.02809	0.6
87.65755	0.4
96.96864	2.2
110.98440	94.4
111.98782	0.5
117.01814	0.5
134.71407	0.5
138.69272	0.6
141.84990	0.5
177.06937	0.4
191.05597	0.6
195.70836	0.5
206.40114	0.5
259.01779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04956	0.2
70.24677	0.4
70.25094	0.6
70.32983	0.2
70.94030	0.2
78.73466	0.2
78.95798	92.9
96.96868	78.7
98.97321	0.2
99.89483	0.2
112.53830	0.2
170.16924	0.2
177.55954	0.2
233.09598	0.4
235.05055	0.2
247.07460	0.2
249.08960	0.6
290.11688	100.0
291.12119	6.0
298.76096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50385	0.3
58.37841	0.2
71.16238	0.8
78.95797	100.0
93.15854	0.3
96.96866	77.7
188.75105	0.3
286.50421	0.3
290.11697	74.1
291.12128	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	290.117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71065	0.3
58.76095	0.3
70.24233	1.2
78.95798	100.0
84.00475	0.3
87.15845	0.3
96.96867	72.5
167.56847	0.3
175.44722	0.2
203.77551	0.3
233.09529	0.4
290.11691	63.6
291.12109	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	289.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	15.3
59.98412	0.9
60.01604	0.3
61.98729	0.2
69.52748	1.8
77.99902	0.2
85.02843	1.7
97.06477	1.0
105.43022	0.2
109.06501	0.3
121.06522	1.7
127.07574	32.8
128.07915	1.5
145.96771	0.2
146.96597	0.2
150.66273	0.2
152.95097	0.2
163.11246	0.3
165.12866	1.3
165.14037	0.2
166.21117	0.2
181.12274	0.7
183.13879	14.7
184.14230	0.7
197.11836	0.5
217.06467	0.2
228.54257	0.2
271.20676	0.4
289.05518	1.1
289.21799	100.0
290.22137	10.3
304.27597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.3
57.03337	13.2
58.03687	0.2
59.01262	0.4
61.05935	0.1
63.29179	0.1
65.24883	0.1
67.01791	0.3
69.03342	2.0
69.26936	0.2
69.27332	1.0
71.01270	0.2
71.04897	0.5
73.02841	0.1
79.05411	0.2
81.03339	0.5
83.01273	0.1
83.04913	1.5
83.05386	0.2
85.06471	0.3
90.49628	0.1
93.03337	0.5
93.06981	0.2
93.57195	0.1
94.04155	0.4
95.01286	0.2
95.04923	1.2
96.02050	0.1
97.02848	0.5
97.06488	1.5
98.03669	0.1
98.06860	0.1
99.04452	0.2
99.08071	0.1
106.04102	0.1
107.04945	1.1
107.08571	0.1
108.02095	0.4
109.06499	42.4
110.06844	1.2
111.04433	0.2
111.08068	1.7
121.06510	2.2
121.10158	0.3
123.04411	0.4
123.08082	2.0
125.06012	0.2
125.09631	0.5
133.06555	0.2
133.10205	0.1
134.07280	0.1
135.08084	0.6
137.06030	0.1
137.09641	0.9
139.07581	0.2
139.11205	0.1
145.10101	0.1
147.08122	0.6
147.11748	0.1
149.09677	1.9
151.11247	1.3
152.11563	0.1
153.12804	0.4
157.80923	0.1
161.09660	0.9
163.07613	0.2
163.11234	5.0
164.08389	0.2
164.11565	0.3
165.09192	0.5
165.12782	0.3
170.64479	0.1
177.12837	0.7
179.10735	4.0
180.10995	0.2
181.12294	0.5
187.11227	0.2
187.89001	0.1
189.12827	0.4
191.14386	0.4
201.16425	0.3
203.14371	1.5
204.11476	0.1
205.15953	2.0
206.16350	0.2
207.17542	0.2
215.14365	0.1
217.15924	0.2
219.17542	6.8
220.17892	0.6
221.15456	0.2
229.15970	0.2
231.17542	3.5
232.17889	0.1
233.19081	0.2
234.76984	0.1
245.08107	0.2
245.19150	0.2
259.20670	0.3
261.22269	1.6
262.22653	0.1
271.20715	3.7
272.21152	0.3
273.18631	0.7
274.19315	0.2
287.20325	0.2
289.21790	100.0
290.22125	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	289.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.5
57.03337	9.4
59.01266	100.0
60.01617	0.7
64.56973	0.4
66.53079	0.4
68.99709	0.6
69.03352	0.9
71.01276	2.1
71.04908	0.6
71.31501	0.5
71.53066	0.7
81.03362	0.4
83.01290	2.6
83.04927	5.0
84.02065	4.8
85.02845	76.9
86.03191	1.2
87.00811	1.0
91.05430	0.6
93.03376	1.4
96.95954	0.5
97.02869	0.6
97.06509	1.0
99.04437	0.5
99.08061	1.2
101.02380	0.7
101.05991	1.2
107.04950	0.8
109.02891	1.7
109.06482	2.5
109.88549	0.4
111.04440	4.9
121.02935	1.1
127.07575	1.0
129.09155	2.0
133.02876	4.0
134.03674	2.8
135.04456	37.2
136.04828	1.1
137.02399	2.1
139.03926	0.6
150.03108	0.6
159.04527	0.6
161.02388	9.7
161.06021	0.5
175.04045	0.8
177.05475	0.6
178.02664	0.9
179.03464	39.0
180.03787	2.2
185.11848	0.5
189.05519	1.0
191.05687	0.9
191.14471	0.7
209.15468	1.0
227.16483	0.6
236.03462	0.4
245.04562	0.8
245.08325	1.0
271.15640	2.0
289.07324	11.8
289.16656	72.2
290.07690	1.2
290.17062	4.8
314.85419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1665
Annotation	oscr#14
Peak:m/z	Relative Intensity
55.01777	1.3
57.03086	1.0
57.03338	11.8
59.01266	100.0
60.01595	0.8
68.99706	1.3
69.03336	1.4
70.07291	4.0
71.01268	1.7
81.03365	1.0
83.01285	3.1
83.04912	3.1
84.02059	4.2
85.02843	79.7
86.03170	0.9
87.00779	1.5
91.05402	0.8
93.03371	1.0
93.52377	0.7
96.95918	1.3
99.08105	0.9
101.02352	0.7
101.06032	0.8
107.04911	0.9
109.02847	0.9
109.06478	3.1
111.04443	6.0
129.09131	1.7
133.02902	3.7
134.03641	1.8
135.04449	39.9
136.04807	2.7
137.02373	1.4
161.02446	7.7
178.02637	1.2
178.06332	0.7
179.03464	37.9
180.03773	2.1
191.05569	0.9
209.15471	1.4
271.15604	2.5
289.07373	9.6
289.16641	70.3
290.17078	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	289.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20531	2.3
55.36730	2.3
58.00489	6.8
59.01265	100.0
69.03341	2.4
71.01275	3.1
71.05853	3.7
71.06171	3.9
73.02837	8.2
74.02351	4.5
83.04919	3.5
84.02045	10.6
85.02843	46.7
85.03360	3.1
87.00790	4.0
93.03379	2.7
96.95908	6.7
99.73621	2.1
103.54221	2.3
106.06551	3.4
109.02851	2.6
122.06055	4.0
125.09641	2.9
127.11185	3.2
133.02930	3.1
135.04433	29.9
135.48137	2.2
136.04900	2.7
137.02397	2.7
138.05540	5.5
150.05629	3.1
157.12286	5.6
161.02385	6.2
167.10713	5.5
179.03448	29.2
185.11781	23.5
187.09689	2.5
209.15526	3.9
211.13387	4.0
216.89456	2.4
223.64113	2.3
241.09915	3.0
245.08482	2.9
245.12233	3.1
247.15558	4.5
271.15585	4.8
276.24585	2.4
284.27493	2.4
289.07297	8.8
289.11707	6.6
289.16702	74.5
290.17142	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0727
Annotation	PLEOSPORONE
Peak:m/z	Relative Intensity
59.01266	33.5
63.92253	0.5
71.58057	0.9
78.95796	6.7
91.99982	0.5
96.96861	6.8
107.53584	0.5
109.43271	0.5
115.05434	1.1
117.03341	0.8
117.59447	0.6
125.67052	0.5
130.04181	1.4
131.04951	2.1
132.64288	0.6
143.04926	2.2
145.02898	1.5
146.03687	2.1
154.25713	0.6
157.02882	0.5
158.03685	14.2
159.04468	30.5
173.02408	8.8
173.06056	1.1
174.03192	5.6
183.58257	0.5
187.03981	55.2
187.14093	0.6
188.04727	12.9
200.04729	1.0
201.01971	5.8
201.05560	40.0
202.05908	1.9
215.03543	1.2
216.04274	39.8
217.04639	2.4
229.05078	100.0
230.05421	6.0
246.63971	0.6
247.06013	0.9
261.07739	0.6
289.07263	78.5
290.07596	5.8
290.11655	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	289.0338
Annotation	D-glycero-beta-D-manno-Heptopyranose 1-phosphate
Peak:m/z	Relative Intensity
59.01266	0.8
71.01267	1.8
71.13296	2.1
75.51308	0.8
78.95796	36.7
80.69897	0.8
83.43123	0.7
85.02821	3.9
87.00771	2.1
93.03361	2.2
96.95901	1.2
96.96867	6.0
99.00801	1.0
109.02880	1.1
110.98438	26.2
111.00733	0.7
126.93119	0.8
133.01334	1.4
152.89162	1.2
170.20375	0.8
173.04622	0.9
184.97650	1.3
191.05583	100.0
192.05986	3.8
289.03348	2.2
309.07941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1613
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01262	1.6
61.98717	0.3
81.03357	0.8
92.04955	0.6
93.03374	1.5
108.02084	0.5
108.04463	3.8
109.02860	4.0
121.02868	0.5
124.01617	0.4
125.02355	0.3
134.02408	35.2
135.03224	8.4
136.03978	36.2
137.02390	1.7
137.04355	1.3
142.76968	0.2
147.04431	0.2
148.04018	1.0
149.04753	1.4
176.03481	4.3
177.04079	0.4
181.03722	0.3
190.05035	0.4
204.06639	0.5
229.21408	0.3
260.16562	0.4
261.15033	0.2
288.16125	100.0
289.05219	0.2
289.16464	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	287.2235
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.60576	0.3
57.03308	0.4
57.48488	0.4
59.01262	0.7
59.44217	0.4
71.01300	0.3
85.02821	0.4
99.08059	1.5
106.65741	0.3
125.02390	0.7
129.09105	0.5
141.12793	1.8
155.14317	0.7
166.65053	0.3
175.53943	0.3
180.76485	0.4
241.21759	1.0
269.21298	2.5
285.20779	2.0
287.22351	100.0
288.22705	8.8
296.79221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17396	0.2
57.03331	0.3
57.50056	0.1
59.01272	0.4
63.72049	0.2
69.93783	0.6
74.89889	0.2
98.19772	0.2
111.08079	0.2
113.09634	1.8
125.02312	0.3
125.09648	0.5
127.11211	2.6
141.09212	0.2
141.12788	0.6
143.10724	1.3
163.11115	0.3
239.20262	0.9
241.21794	1.6
269.21262	2.5
275.67245	0.2
285.20743	1.6
287.22351	100.0
288.22699	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	287.1507
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03342	1.0
58.64882	0.4
59.01265	13.1
66.89823	0.6
69.03336	1.5
69.92249	2.4
71.01268	10.0
71.04906	2.7
73.02834	9.7
78.12608	0.5
78.95795	0.5
81.03341	1.3
83.04911	3.8
85.02849	1.2
97.02852	3.4
100.28343	0.5
101.05977	2.3
109.06480	0.7
113.02298	0.5
115.03909	3.2
123.08059	4.3
125.09641	1.1
127.03914	0.8
135.04454	0.6
141.09143	14.2
145.05025	5.5
153.09122	0.8
161.02374	0.5
163.14812	0.6
169.08612	0.8
189.12756	0.8
191.05586	0.9
197.11742	0.8
207.13861	5.5
209.11833	1.2
225.14941	5.1
227.12906	1.1
233.11841	0.7
243.16075	0.6
251.12891	3.0
269.14001	15.8
269.16907	1.1
287.15060	100.0
288.15445	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	287.0781
Annotation	Dianthoside
Peak:m/z	Relative Intensity
55.01767	2.9
57.03323	0.7
58.02882	0.5
59.01258	4.4
67.01777	0.7
69.03344	100.0
69.19663	0.5
69.62427	4.2
70.03687	1.1
71.01265	1.9
72.99210	2.1
73.02823	0.7
77.33397	0.5
78.95792	5.1
79.01801	1.5
82.21735	0.5
83.01318	0.5
83.04922	0.7
85.02838	3.3
93.03412	0.6
95.01299	2.2
96.95917	2.0
96.96867	6.4
97.02853	17.2
98.20586	1.0
99.00782	26.0
101.05989	7.8
113.02352	0.7
117.06996	0.9
123.00849	0.9
137.31238	0.5
141.01871	6.9
141.53958	0.5
185.00887	41.3
186.01224	1.4
249.09010	7.8
287.07794	11.6
287.15073	5.1
288.08279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2394
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.37883	0.3
58.85328	0.3
59.01257	1.4
61.98734	0.3
70.02852	1.0
74.06006	1.6
86.40141	0.3
117.07018	0.7
118.05017	1.3
118.79076	0.3
125.02296	0.5
132.16811	0.4
143.80687	0.3
219.86276	0.4
229.44965	0.4
240.20277	0.3
240.21060	0.4
240.23361	3.4
242.21332	1.7
268.22830	0.9
284.22388	0.5
286.04248	0.7
286.23935	100.0
287.16650	0.8
287.24463	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77301	0.3
57.03333	0.4
59.01264	1.6
71.47971	0.5
78.95782	0.7
83.04874	0.4
85.02840	0.3
97.06484	1.2
99.08073	0.6
109.06490	0.5
113.09600	0.3
123.08089	0.3
125.09663	3.0
127.11189	0.5
139.11234	0.4
141.12784	1.0
155.14345	0.9
171.10220	2.6
173.03578	0.3
187.09583	0.3
208.87175	0.3
211.13412	0.4
211.20624	0.4
221.19185	0.6
223.20674	0.4
230.15263	0.3
239.20163	0.7
249.18604	0.7
265.18088	1.9
267.16000	0.3
267.16974	0.4
267.19687	3.7
269.96835	0.3
283.19211	0.5
285.04434	1.4
285.20779	100.0
286.21127	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2079
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03329	0.5
59.01265	15.9
67.45673	0.3
69.96669	0.3
70.95645	0.5
78.95753	0.3
83.04940	0.4
95.04901	0.4
97.06500	1.7
99.08054	0.5
109.06438	0.5
111.08052	0.4
113.09622	0.4
113.33595	0.3
123.08004	0.4
125.09644	3.7
127.11227	0.7
139.11218	0.3
141.12794	1.2
155.14304	0.6
164.30106	0.3
171.10255	3.2
187.09709	0.6
221.19093	0.5
223.20718	0.4
239.20129	0.8
265.18219	0.6
267.19662	4.0
283.19025	0.6
285.04160	2.0
285.20779	100.0
286.21140	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	285.2079
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03299	0.8
59.01213	2.2
61.17287	0.4
61.98677	0.5
67.25395	0.3
67.71238	0.3
70.85187	0.7
70.85559	0.7
78.95739	0.5
86.41873	0.3
92.51239	0.3
96.13074	0.4
107.20135	0.3
127.03978	0.4
157.63177	0.3
221.19081	0.7
223.20679	60.4
224.20990	4.1
241.21768	1.6
267.19708	34.8
268.20041	2.6
285.04300	2.2
285.20844	100.0
285.27112	3.1
286.21207	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2078
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
53.19196	0.2
55.56618	0.3
59.01263	1.3
68.45103	0.3
69.42265	0.5
69.42669	2.1
75.44895	0.2
77.39963	0.3
96.44099	0.3
97.06488	0.4
99.08047	1.7
111.08038	0.3
129.09167	2.0
129.34569	0.3
155.10719	15.1
156.11052	0.6
157.39737	0.3
221.19202	0.3
237.18588	0.6
249.18559	1.3
262.48044	0.3
267.19702	10.6
268.20157	0.4
271.79404	0.3
283.19275	1.3
285.04266	1.5
285.20767	100.0
286.21112	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45122	0.7
55.76199	0.7
59.01266	100.0
60.01589	0.9
70.08011	0.8
70.76582	2.5
71.01277	1.6
77.54479	0.9
78.95798	1.0
83.04921	4.5
89.02328	2.7
93.03362	0.9
96.96891	1.3
106.26855	0.8
119.04944	2.2
119.80251	0.8
120.99572	3.2
128.16734	0.8
225.16118	12.9
285.03937	2.1
285.27100	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0411
Annotation	Cyanidin
Peak:m/z	Relative Intensity
54.26208	0.2
59.01265	1.1
62.17999	0.2
63.02280	1.0
65.00213	0.7
67.74511	0.2
71.72739	0.2
83.01273	1.3
91.01835	0.2
93.03362	2.2
95.01286	0.6
107.01301	1.6
108.02074	0.6
109.02835	1.1
117.03378	0.9
119.01302	0.3
121.02843	0.3
123.00772	0.4
123.04441	0.5
130.04221	0.2
131.04912	0.6
133.02812	0.5
135.00807	0.7
135.04396	0.2
137.02380	0.7
141.06924	0.3
143.04961	1.3
145.02892	0.8
151.00330	1.8
154.04169	0.7
155.04973	0.7
156.05611	0.2
157.06564	1.0
159.04466	1.3
161.02438	0.5
163.00322	0.8
164.01112	0.5
165.01901	0.3
167.04985	0.6
168.05688	0.4
169.01341	0.5
169.06595	1.2
171.04442	1.0
173.02406	0.4
183.04469	0.6
184.05112	0.4
185.06059	2.4
187.03986	1.6
189.05531	0.4
195.04517	0.4
196.05069	0.2
198.03186	0.2
199.04008	0.5
201.05502	0.5
211.03987	1.2
213.05489	1.0
214.02695	0.8
215.03455	0.8
217.05069	0.2
219.02956	0.3
227.03510	0.8
228.03796	0.6
229.05093	1.7
239.03502	1.6
240.04318	0.5
242.02237	0.4
243.02982	1.1
243.16080	1.1
255.03014	0.5
256.03357	1.1
257.04590	1.3
267.03082	0.2
268.03952	0.2
270.01846	0.6
284.03226	0.4
284.26813	1.9
285.04111	100.0
285.20859	0.7
285.27194	0.6
286.04456	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	284.2239
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
59.01259	1.2
60.11585	0.3
71.28239	0.6
72.04433	0.7
74.02361	100.0
75.02714	0.5
78.95764	0.3
84.04446	1.0
88.83079	0.4
88.85527	0.3
90.94614	0.3
119.98984	0.3
163.78542	0.3
197.42484	0.3
240.23355	3.9
252.04924	0.3
284.22443	52.5
284.26880	16.7
285.04120	2.0
285.22543	3.0
285.27246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	35.4
58.03683	0.5
59.01046	0.4
59.01269	4.2
62.96296	0.6
70.22796	2.2
78.95795	100.0
96.96865	73.7
114.20666	0.5
117.03384	0.9
119.04913	1.0
133.02892	1.3
134.03706	0.7
135.04471	3.7
145.02914	0.8
149.00023	0.5
161.02385	2.3
179.03470	1.1
180.05553	0.5
207.04271	27.4
208.04601	5.1
265.08521	2.0
266.08878	1.4
283.09576	13.6
283.12155	0.7
283.26480	11.3
284.10480	1.7
284.27005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0257
Annotation	Lupinalbin A
Peak:m/z	Relative Intensity
50.11086	0.2
50.21704	0.2
50.49043	0.2
51.00772	0.2
59.01254	1.0
63.01973	0.3
63.02285	4.3
65.00213	3.2
79.01803	0.3
83.01276	1.0
89.00226	0.7
91.01804	0.7
93.03342	2.1
98.20592	0.4
107.01307	3.4
110.36244	0.2
117.03384	10.7
118.03699	0.4
122.08282	0.2
123.04445	0.7
129.03410	0.5
131.04944	0.4
133.02864	0.2
134.00052	0.3
135.00778	1.5
139.05449	0.2
141.03398	2.7
143.04947	0.6
151.00307	2.0
151.96124	0.3
154.04211	0.6
155.04984	3.6
159.04463	3.8
167.04965	0.6
169.01381	0.4
169.02869	0.3
171.04510	2.3
173.02473	0.4
173.06058	0.8
181.02989	0.4
182.02199	0.3
182.03703	3.6
183.04486	18.4
184.04872	1.2
185.02429	3.3
187.03973	0.8
188.88431	0.2
197.02415	0.6
199.04019	1.6
209.02489	0.5
210.03177	0.5
211.03996	7.7
212.04405	0.6
215.03502	0.3
218.55093	0.2
226.02777	1.1
227.01323	0.5
227.03526	6.9
228.03752	0.3
239.03473	0.4
255.03033	71.6
256.00891	0.4
256.03400	4.8
282.01630	0.5
283.02554	100.0
283.26474	10.2
284.02957	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	283.096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	32.6
59.01270	1.4
70.24956	4.0
73.85870	0.7
76.38150	0.9
78.95797	100.0
85.22890	0.7
88.48560	0.9
96.96866	67.9
107.78507	0.7
108.14648	0.9
115.46929	0.8
117.03409	1.0
119.04955	1.0
119.92091	0.7
121.74635	0.8
130.16966	0.7
135.04459	1.9
155.33908	0.8
161.02437	1.4
179.03456	0.9
189.70155	0.8
207.04269	29.1
208.04523	4.4
224.22964	0.8
255.03023	1.4
265.08432	2.0
270.53305	0.8
283.02673	1.5
283.09528	13.9
283.26505	10.9
284.10446	2.0
301.56281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62340	0.4
59.01266	2.4
63.02293	3.3
65.00208	3.4
71.61024	0.9
78.95809	0.4
83.01283	1.7
89.00245	0.8
91.01798	0.7
93.03365	2.5
107.01295	3.4
117.03386	12.4
123.04430	1.3
123.08062	0.6
125.71301	0.4
129.03433	0.6
133.02859	0.8
135.00827	1.8
141.03409	2.7
143.04942	0.4
145.02922	0.7
147.04465	0.5
151.00325	2.2
154.04222	0.5
155.04990	4.3
159.04466	5.1
167.04976	0.6
169.01390	0.5
171.04507	2.2
173.06021	1.2
181.02841	0.4
182.03690	4.5
183.04492	19.5
184.04858	1.1
185.02429	3.4
187.03966	0.8
197.02341	0.7
199.04028	1.3
209.02486	0.5
211.03987	7.8
212.04291	0.5
226.02759	1.6
227.03505	7.9
228.03815	0.5
253.81683	0.5
255.03036	86.6
256.03391	5.5
282.01645	0.6
283.02554	100.0
283.21103	1.2
283.26495	25.9
284.02924	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	283.0253
Annotation	Lupinalbin A
Peak:m/z	Relative Intensity
56.07178	0.2
57.65606	0.3
59.01265	2.7
63.02279	3.2
65.00200	2.9
65.00475	0.3
66.66969	0.3
66.79748	0.3
69.54589	2.1
75.62463	0.3
78.28977	0.3
79.05014	0.2
82.68542	0.3
83.01299	0.9
91.01780	0.6
93.03341	2.2
97.36664	0.3
107.01282	2.5
108.45131	0.3
117.03370	10.9
118.03728	0.4
123.04459	0.8
129.03416	0.4
131.05034	0.3
133.02882	0.9
135.00795	1.3
137.36284	0.3
141.03371	2.6
143.04955	0.5
144.99174	0.3
145.02946	0.3
151.00275	2.3
154.04222	0.5
155.04973	3.7
159.04459	4.0
167.04976	0.8
169.01416	0.4
171.04497	2.0
173.06056	0.9
182.03693	3.8
183.04477	16.6
184.04768	0.8
185.02419	2.5
185.11714	0.3
187.03969	0.8
197.02495	0.4
199.03926	1.2
210.03149	0.6
211.03986	6.6
212.04222	0.5
213.01857	0.4
215.03479	0.4
226.02763	1.2
226.97139	0.3
227.03502	8.5
255.03020	70.9
256.03406	5.0
265.25275	0.4
267.45358	0.3
283.02530	100.0
283.26462	29.3
284.02969	9.8
284.26849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15505	0.8
56.94056	0.7
57.18813	0.8
59.01269	4.3
61.67617	0.7
63.60917	0.8
69.53437	4.0
69.53851	2.2
78.74653	0.8
107.03537	3.1
108.01927	3.4
117.26242	0.8
126.03059	5.0
133.01492	20.2
150.04156	100.0
151.02525	1.4
151.04428	1.1
187.98135	0.7
237.21840	0.7
266.27457	0.9
282.05338	1.8
282.08502	37.2
283.09177	1.7
283.26483	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75280	0.3
57.03339	12.1
59.01266	0.4
69.24811	0.7
69.25205	3.0
78.95795	100.0
95.96080	0.6
96.96864	76.7
111.60984	0.3
122.98480	0.4
149.00037	3.5
163.01624	0.9
177.03174	1.5
191.04788	1.5
192.90625	0.3
207.04268	52.3
208.04665	1.7
210.02957	0.4
227.46411	0.3
233.09477	1.1
249.08978	3.4
265.08490	9.1
282.08691	1.6
282.11819	2.7
283.02490	0.5
283.09537	3.6
283.26566	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	281.1402
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01756	1.6
57.03335	17.3
59.01265	14.4
62.38259	1.0
65.03851	4.0
69.03340	2.2
69.70377	6.6
71.01306	1.3
71.94360	1.0
74.18301	1.2
81.03341	1.3
83.04916	15.7
87.00777	17.7
93.03327	1.8
95.01325	1.1
95.04912	3.6
96.95920	2.7
97.02883	1.0
107.04951	1.2
111.04463	7.6
111.08066	4.0
113.02342	1.9
119.04955	2.6
119.08581	1.6
121.06529	8.6
123.08083	33.9
124.05276	1.6
125.09624	1.2
125.64728	1.2
137.06053	2.2
137.09680	4.5
138.06792	1.3
139.07571	5.8
145.10168	4.6
151.07614	5.7
153.09167	4.7
163.03923	2.9
165.09155	1.4
169.08783	2.0
169.10185	4.1
171.11757	38.6
172.12166	1.9
175.11258	1.4
185.09663	1.8
189.12830	15.8
201.12880	13.1
207.13922	8.3
219.13977	6.7
237.14987	56.2
238.15356	2.9
243.64619	1.2
278.44553	1.1
281.14005	100.0
282.06711	1.2
282.14374	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	281.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29903	0.7
57.03342	1.0
59.01268	13.7
59.57619	0.7
60.07284	0.6
60.33164	0.7
64.71212	0.6
69.83086	4.3
71.01270	1.8
72.27674	0.7
78.95798	100.0
81.20543	0.6
83.04943	0.8
85.02823	0.8
87.00792	1.4
87.62552	0.7
96.95877	2.3
96.96869	86.6
101.02340	0.8
119.04922	0.8
123.08060	1.4
129.14749	0.7
171.11786	1.9
180.27112	0.7
207.04239	10.5
215.97041	0.8
221.06641	0.8
233.06024	0.8
237.15004	3.7
247.07457	1.2
248.07684	0.9
251.06944	16.6
252.07321	0.8
263.06967	4.8
281.08029	43.7
281.14038	6.3
281.24957	3.2
282.08337	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	281.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04881	0.6
57.03335	0.8
58.44558	0.5
59.01267	6.9
62.96303	0.6
71.24816	1.3
78.95795	100.0
95.96096	0.7
96.96867	47.9
98.79936	0.6
120.56110	0.5
122.98463	1.3
141.14574	0.6
149.00029	10.7
150.00822	1.4
163.01564	2.7
170.85397	0.5
177.03127	3.1
193.02686	5.7
205.02733	0.5
207.04234	2.3
210.02962	2.7
223.03848	0.5
251.06932	1.8
263.06940	5.8
281.08023	23.4
281.24847	1.7
282.08499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02762	0.6
50.70585	0.6
53.31085	0.6
59.01263	11.1
68.17976	0.6
71.01274	1.6
71.58458	1.0
78.95795	100.0
96.96864	81.2
98.43691	0.6
101.02373	0.8
132.38943	0.7
135.04459	0.7
149.00006	0.9
161.02327	0.8
177.05560	0.9
179.03552	1.1
207.04277	11.8
224.39833	0.7
247.07448	2.4
251.06934	15.7
252.07304	0.6
263.06946	5.4
281.08041	51.3
281.11652	28.6
281.24936	2.9
282.08401	2.3
282.11804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2334
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
57.33712	0.3
58.71038	0.4
58.71363	0.3
69.65604	2.1
69.66023	0.7
72.08486	0.3
98.00333	0.4
98.19716	0.5
104.04398	0.4
141.24886	0.4
221.31902	0.4
238.74991	0.3
261.22345	0.7
279.23340	100.0
280.23676	9.0
283.82477	0.4
287.42767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89230	0.7
56.97924	8.4
59.01269	24.7
63.02283	1.6
64.85800	0.7
66.84765	0.8
70.99504	1.1
71.01274	4.1
73.02813	1.2
77.03866	6.9
83.04901	0.9
85.02834	1.8
87.00768	1.2
88.57825	0.7
89.02345	0.8
93.03358	1.5
94.53342	0.9
96.00304	1.8
96.95918	0.8
96.96838	0.9
97.02870	4.1
101.02328	1.0
102.04681	1.6
103.05441	3.3
103.54230	0.8
109.01085	1.3
113.00587	53.0
113.02333	3.2
114.00894	0.8
115.05469	1.6
115.71320	0.8
120.99576	82.3
123.99790	1.1
133.01140	1.6
133.06519	1.0
134.01906	1.3
147.02675	2.5
148.03467	2.1
149.04251	100.0
150.04576	3.3
159.04448	1.4
161.04478	1.8
163.99329	1.0
165.03685	1.3
191.05569	1.2
193.03270	39.1
194.03612	1.9
211.13408	0.8
221.06726	0.9
237.05804	0.9
237.14931	0.9
280.23648	0.9
281.05008	5.0
281.08667	2.4
281.14203	1.2
281.24884	5.1
292.37100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1972
Annotation	Juvenile hormone I acid
Peak:m/z	Relative Intensity
59.01262	7.8
71.07776	7.5
80.02569	34.0
95.04945	15.7
119.22646	3.0
127.44132	3.5
134.89412	3.6
154.46661	3.5
175.44522	3.3
188.69308	3.5
235.20708	39.5
243.78937	3.0
273.03531	3.5
279.19635	34.3
279.22644	100.0
280.20056	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	279.1973
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
50.49061	0.3
53.96994	0.3
57.03332	1.3
59.01261	2.5
70.22690	0.4
70.23039	1.2
71.01283	0.5
72.31460	0.3
73.66470	0.4
75.00733	0.5
79.58290	0.3
83.04915	1.2
83.89646	0.3
93.30103	0.3
96.95915	1.6
97.06519	0.4
101.02395	0.4
109.06506	1.3
111.08070	5.4
113.02386	0.4
125.09702	0.5
127.11217	1.8
149.09680	2.2
151.11229	0.4
155.07045	0.4
171.10228	7.3
183.10240	1.9
197.15274	0.4
219.02971	0.6
235.20706	1.4
243.06000	0.3
249.07831	0.5
258.52856	0.3
261.18497	0.6
279.19742	100.0
279.23175	17.3
280.20102	6.8
280.23611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1092
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
50.10363	0.8
55.01767	1.1
57.03339	1.5
58.00475	2.0
59.01263	53.6
71.01267	32.4
71.04913	8.8
71.57079	1.1
72.99199	3.2
73.02832	2.5
75.00771	1.3
83.01270	2.4
85.02839	6.4
87.00761	4.2
89.02336	29.8
95.01304	2.5
96.95909	0.9
96.96859	4.6
98.97273	1.2
99.04420	12.5
101.02339	18.5
101.04200	8.9
101.05967	1.4
105.01799	3.3
110.02358	1.3
111.01933	1.1
113.02352	13.1
113.06057	1.4
117.01804	0.9
117.05492	52.1
118.05804	1.5
119.03414	11.6
119.69405	1.0
130.06569	0.9
131.03461	1.6
131.05281	2.5
143.03397	1.7
149.04512	1.4
149.06334	9.3
159.06587	1.9
161.04454	1.5
179.05551	2.2
191.05605	3.3
198.41579	1.0
219.06876	1.3
237.08046	1.4
243.06227	2.9
279.10919	100.0
279.23367	4.1
280.11163	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	279.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07988	0.8
57.03327	1.1
59.01262	5.1
60.97408	1.7
71.01277	1.0
71.57027	1.3
72.00278	2.5
72.14438	0.9
72.97425	5.6
73.01048	1.0
73.98215	1.1
77.04361	0.9
78.95804	11.9
85.02853	0.9
87.00777	20.8
88.96972	1.0
89.97701	1.8
90.98493	100.0
93.03360	1.9
93.66753	0.9
93.67657	0.9
96.96880	11.5
97.02880	1.0
99.08044	1.1
101.02286	0.9
105.36465	0.8
114.23772	1.0
117.00081	2.8
119.23309	1.0
124.05233	1.4
129.07365	71.2
130.07692	1.8
133.02849	1.6
134.03616	1.0
135.01131	7.2
135.04393	1.5
139.07552	4.6
145.06856	3.6
147.08435	70.1
148.08701	1.8
160.99063	1.5
168.07860	1.4
173.06354	13.4
179.00159	35.1
179.03432	1.1
180.00500	1.0
191.05716	2.0
191.07451	21.1
205.12338	3.2
207.04083	1.2
217.09048	18.8
221.05865	1.5
233.69542	0.9
235.10097	11.4
261.08118	8.3
279.06281	1.0
279.09183	21.0
279.12381	1.6
279.15503	1.0
279.23392	4.5
280.09592	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	279.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.9
58.00473	1.5
59.01264	35.0
60.76092	0.7
62.02720	0.7
70.78699	1.6
70.79102	1.5
71.01272	23.3
71.04904	5.2
72.99195	3.0
73.02833	1.1
78.95808	7.6
83.01280	2.0
85.02832	4.3
87.00788	1.6
89.02340	26.9
92.45674	0.9
95.01260	1.1
96.95939	1.6
96.96227	1.1
96.96862	16.1
98.97280	2.1
99.00769	1.3
99.04417	12.2
101.02346	14.7
101.06010	1.0
103.07538	0.7
110.02398	1.3
111.01891	2.1
113.02354	9.3
117.05492	38.4
119.03424	11.4
120.99548	0.7
131.03426	1.4
134.76201	0.8
135.62431	0.8
143.03470	1.4
149.04457	1.0
149.06393	1.6
159.06555	0.7
161.04556	1.0
179.05539	2.5
220.97316	0.7
243.06200	3.8
279.10910	100.0
279.23151	4.2
280.11258	5.0
280.23721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	6.8
61.98763	1.6
66.23614	1.3
69.03358	2.4
69.70825	2.8
69.71240	7.2
71.01275	6.3
72.31051	1.4
73.02856	3.7
81.03371	5.9
83.01301	2.2
85.02883	3.7
95.04934	1.7
96.17278	1.3
98.20496	2.6
99.04429	8.4
101.02394	1.5
105.03362	7.3
109.02989	1.3
113.02368	9.0
119.04953	3.0
120.54770	1.3
121.02902	4.6
123.04482	3.6
132.02121	12.4
133.02884	67.4
134.03682	30.3
135.04454	1.4
136.01631	5.4
137.02394	11.8
139.03969	3.6
139.07649	1.9
146.03694	1.5
147.04451	11.0
148.01575	1.5
148.05258	6.2
149.02429	3.8
149.06021	20.5
151.03978	5.3
159.04471	10.9
160.01614	58.0
160.05226	8.0
160.77608	1.2
161.02266	2.5
161.06009	14.6
173.06055	1.8
175.03973	70.9
175.07701	4.1
176.04489	4.3
177.01880	18.3
177.05562	3.4
178.02698	8.3
182.26874	1.3
187.04054	1.6
189.05620	5.2
190.06429	3.5
191.03491	1.9
193.05060	18.3
194.05486	1.6
202.06364	4.8
204.04384	4.6
205.05080	1.6
205.08823	1.8
216.04268	1.6
219.03036	1.6
219.06792	3.0
220.07414	15.7
234.05440	3.6
235.09879	2.9
251.07124	7.0
263.06995	1.5
264.06448	52.4
265.06891	3.9
279.06863	8.2
279.08966	100.0
279.23462	3.8
280.07590	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	279.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57317	1.1
59.01277	5.6
69.03340	2.1
71.01273	2.9
71.04900	3.0
73.02836	5.6
81.03352	5.1
83.01273	4.6
85.02837	2.3
93.03371	1.5
95.04933	1.7
97.02831	1.4
98.19768	3.5
99.00744	1.2
99.04433	8.8
105.03378	6.9
108.02077	1.9
112.65930	1.3
113.02346	7.3
119.04954	1.9
121.02869	4.1
122.03667	2.8
123.04441	4.1
132.02103	15.5
133.02892	68.6
134.03691	34.8
135.04265	2.0
136.01581	7.0
137.02382	16.6
139.03929	4.0
143.04926	1.2
147.04453	8.7
148.05229	3.4
149.02400	3.9
149.06046	23.3
151.03943	7.2
159.04466	11.7
160.01616	67.7
160.05240	11.6
161.02147	3.9
161.06035	20.6
162.06711	1.8
165.01849	1.1
172.05168	1.4
173.06027	4.3
175.03969	83.6
175.07407	6.0
176.04521	6.2
177.00412	1.0
177.01872	19.2
177.05428	2.1
178.02669	7.8
179.03285	2.0
189.05559	6.6
190.06328	5.1
193.05032	22.1
194.05406	1.4
201.05539	1.9
202.06328	4.2
203.03496	2.5
204.04248	7.2
205.04971	1.5
205.08678	1.9
219.02832	1.4
219.06767	3.1
220.07413	9.2
229.78999	1.7
234.05345	4.6
235.09718	1.3
264.06445	61.2
265.06760	4.4
279.08801	100.0
279.11832	3.2
279.23386	5.3
280.09305	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	3.6
59.01265	1.3
62.51367	0.1
66.03687	0.1
69.03345	4.6
69.29718	0.2
71.01246	0.1
83.04909	0.3
98.20559	0.2
99.08070	0.6
113.09647	0.6
123.08057	0.1
125.09641	0.2
127.07557	0.1
131.59377	0.1
139.11191	0.2
193.16005	0.2
194.92923	0.1
205.15947	0.6
219.17511	0.5
235.20654	0.2
245.19119	0.3
259.20673	0.3
261.22324	1.6
275.20340	0.1
275.23529	0.1
277.18451	2.3
277.21899	12.0
277.25391	100.0
278.18924	0.2
278.22211	1.2
278.25732	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	277.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22834	0.1
57.03049	0.2
57.03339	3.3
59.01263	2.6
63.50063	0.1
69.03342	4.8
69.77441	0.4
69.77844	0.3
71.01263	0.2
73.02841	0.1
75.02277	0.2
79.95619	0.2
85.02866	0.1
93.03344	0.1
99.08044	0.4
113.09618	0.4
121.02880	1.4
125.09615	0.2
127.11205	1.6
134.03668	2.3
135.04552	0.1
139.11198	0.3
147.00844	0.1
148.68562	0.1
159.92741	0.1
177.12842	0.6
193.15912	0.7
194.92786	0.3
195.17447	0.2
205.15985	1.0
219.17511	0.5
233.15465	0.3
233.19122	0.3
235.20781	0.1
259.20660	0.2
261.22287	1.4
276.81693	0.1
277.14575	1.9
277.18176	5.5
277.22040	3.7
277.25397	100.0
278.15097	0.2
278.18512	0.6
278.25754	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	4.2
71.01263	0.6
71.58097	0.2
73.02828	0.2
80.52332	0.1
83.04910	0.3
86.91606	0.1
88.93052	0.1
104.19623	0.1
105.03352	0.2
113.05962	0.2
121.02869	0.3
127.07554	0.3
127.28091	0.1
128.95319	0.1
133.02875	2.1
141.09045	0.1
152.91692	0.3
164.05411	0.1
177.01901	0.5
194.92789	0.5
205.15947	0.5
205.19571	0.2
233.19099	0.4
233.22760	0.5
259.20734	0.5
262.12167	2.5
263.12579	0.2
275.20145	0.4
276.93381	0.2
277.14847	1.9
277.18457	5.9
277.21774	100.0
278.18671	0.5
278.22119	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	277.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.1
78.27993	0.4
110.49622	0.4
159.76686	0.4
233.22614	0.4
241.79382	0.4
243.95946	0.4
277.21783	100.0
278.22131	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.9
71.01263	0.6
71.58035	0.2
83.04900	0.4
89.00232	0.2
96.96793	0.2
99.04390	0.2
121.02894	0.3
126.97102	0.2
127.07565	0.4
137.11002	0.2
138.66513	0.2
141.04085	0.2
143.97397	0.2
148.64876	0.2
171.01993	0.2
173.04353	0.1
205.15929	0.6
221.11783	0.2
233.19179	0.3
233.22807	0.5
259.20685	0.6
263.89786	0.2
275.20178	0.5
277.18552	4.2
277.21768	100.0
278.18973	0.4
278.22119	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	277.218
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.86079	0.2
59.01256	1.2
70.10139	1.1
71.01270	0.5
72.37067	0.2
79.27652	0.2
83.04906	0.2
85.10751	0.2
103.63145	0.2
109.54489	0.3
127.07549	0.3
144.09178	0.2
200.73964	0.2
233.22777	0.5
241.79378	0.2
259.20679	0.4
275.20255	0.4
277.21790	100.0
278.19006	0.5
278.22128	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	277.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43231	0.3
56.88409	0.3
59.01262	0.7
59.88852	0.4
69.28893	0.3
71.01262	0.8
71.15720	0.8
73.02770	0.4
74.12958	0.4
75.66888	0.3
78.95794	40.1
80.57101	0.4
84.70769	0.4
84.78136	0.4
89.02325	0.5
96.96865	100.0
107.12481	0.3
149.04500	0.4
162.84160	0.3
215.90108	0.3
254.67982	0.4
259.31628	0.4
277.21753	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	276.1247
Annotation	Obscurolide A3
Peak:m/z	Relative Intensity
59.01269	2.3
71.57720	0.7
72.53228	0.5
83.04927	0.5
91.05441	2.3
100.07578	1.3
101.05997	0.7
114.79970	0.5
118.06554	2.2
121.70995	0.5
128.07095	31.1
129.07439	1.0
146.06052	0.5
194.92763	1.0
204.13945	1.4
215.14458	0.6
227.26216	0.5
232.13446	100.0
233.13747	7.9
276.12448	3.3
277.09259	0.5
277.19098	0.6
277.21741	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	275.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.9
69.96013	0.3
70.91959	1.0
72.18949	0.3
76.57069	0.3
76.88644	0.4
77.03870	1.0
89.03841	0.8
95.04933	2.2
105.03380	10.2
116.92741	0.7
121.02891	1.1
123.04437	1.1
132.02104	1.5
132.45415	0.3
133.02890	82.3
134.03717	11.7
137.02383	5.3
139.03940	1.5
147.04491	0.7
148.05263	3.8
149.02377	2.7
149.06073	2.4
150.03160	0.9
160.01640	2.8
161.02362	0.6
162.06700	0.6
175.03976	2.0
177.01903	18.0
178.02687	11.6
179.02997	0.6
192.95831	1.0
193.05048	10.4
193.06804	0.7
232.11069	1.1
260.10596	100.0
261.10947	6.7
275.12958	89.7
276.13272	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	275.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	5.4
66.17462	0.6
69.03342	5.4
70.75571	0.6
71.04910	0.6
71.61125	0.8
77.03838	0.7
79.95621	1.4
80.43587	0.6
89.03850	0.8
93.03368	0.8
95.04932	2.5
102.24910	0.6
105.03367	8.3
109.02850	0.8
116.92780	1.4
119.04951	8.3
121.02895	2.9
123.04440	1.7
132.02104	2.9
133.02888	100.0
134.03165	3.6
136.00551	0.8
136.01595	13.5
136.02574	1.2
137.02409	4.2
147.04474	10.5
149.02388	0.9
151.03940	2.0
153.05522	9.2
156.13150	0.6
160.01649	1.1
163.03992	1.4
163.84489	0.6
164.04787	0.6
165.12822	1.2
173.06049	1.2
177.01897	34.7
178.02397	1.0
192.04271	16.9
192.95770	1.4
200.93065	0.7
216.11580	2.6
231.13928	1.2
231.17572	1.0
231.21155	1.1
260.10602	36.2
261.10941	1.6
275.12961	94.9
275.20224	20.9
275.23798	7.9
276.13306	6.5
276.20551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.0
59.01264	17.3
69.03345	1.1
69.76473	1.0
69.76893	2.7
71.01272	9.8
71.04906	5.8
73.02827	0.7
78.95808	0.6
79.61581	0.4
81.03368	0.9
83.04930	3.3
83.05350	0.7
93.03360	0.6
97.06554	0.5
99.04439	0.9
99.08055	8.3
101.05989	2.3
109.06486	3.4
111.04433	1.1
111.08056	11.6
113.09641	0.7
115.03946	0.6
119.04950	2.8
127.07566	2.1
129.09149	5.7
130.67677	0.5
137.05994	2.2
138.33893	0.5
139.11220	2.3
141.00572	0.5
141.09097	0.7
141.26251	0.5
145.02838	0.7
152.90048	0.5
155.07074	18.1
155.10641	1.0
163.03976	2.1
165.12773	1.9
173.08170	2.5
181.12292	0.7
193.15942	1.0
199.44980	0.5
201.14954	3.4
211.17009	0.5
237.14999	4.5
255.16042	4.8
273.03583	1.0
273.17130	100.0
274.17480	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	273.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.0
59.01264	17.3
69.03345	1.1
69.76473	1.0
69.76893	2.7
71.01272	9.8
71.04906	5.8
73.02827	0.7
78.95808	0.6
79.61581	0.4
81.03368	0.9
83.04930	3.3
83.05350	0.7
93.03360	0.6
97.06554	0.5
99.04439	0.9
99.08055	8.3
101.05989	2.3
109.06486	3.4
111.04433	1.1
111.08056	11.6
113.09641	0.7
115.03946	0.6
119.04950	2.8
127.07566	2.1
129.09149	5.7
130.67677	0.5
137.05994	2.2
138.33893	0.5
139.11220	2.3
141.00572	0.5
141.09097	0.7
141.26251	0.5
145.02838	0.7
152.90048	0.5
155.07074	18.1
155.10641	1.0
163.03976	2.1
165.12773	1.9
173.08170	2.5
181.12292	0.7
193.15942	1.0
199.44980	0.5
201.14954	3.4
211.17009	0.5
237.14999	4.5
255.16042	4.8
273.03583	1.0
273.17130	100.0
274.17480	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	271.2284
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01254	0.2
70.78772	0.6
79.43340	0.2
81.31321	0.2
119.04922	0.9
151.00290	0.7
182.84662	0.2
223.20728	0.2
225.22240	4.7
226.22630	0.3
253.21835	1.5
269.21213	0.6
271.02646	0.5
271.06140	1.2
271.22833	100.0
272.23184	8.1
294.86630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63754	0.3
55.94246	0.4
57.02026	0.4
57.59200	0.4
58.43634	0.3
71.35448	0.6
78.95793	100.0
80.35992	0.4
96.96864	94.7
101.82857	0.3
272.10626	60.8
273.10980	3.6
273.17087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0388
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
62.93002	0.2
63.33128	0.2
70.30256	0.4
70.30641	0.8
78.95794	61.5
85.02863	0.2
96.95924	0.5
96.96853	3.8
108.19175	0.2
110.98440	48.9
146.43748	0.2
241.01212	14.3
242.01541	0.5
273.03864	100.0
274.04239	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	273.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08113	0.3
54.14028	0.3
54.70675	0.4
62.65611	0.3
64.46947	0.3
67.07708	0.4
70.71662	1.2
70.99834	0.3
71.01281	0.4
72.99174	0.4
78.95795	31.7
85.02847	0.8
87.00790	0.9
92.00984	0.4
96.95885	1.1
96.96861	6.3
110.98441	27.8
112.00327	0.7
113.02421	0.4
118.38296	0.4
125.00880	0.4
132.04059	0.9
157.01340	0.7
159.83525	0.4
168.99919	0.6
175.02429	1.5
175.04736	0.8
183.15460	0.4
241.01213	9.7
250.09738	0.4
273.03870	100.0
274.04205	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54510	0.3
59.01256	0.7
63.02270	0.4
65.00214	0.8
66.14143	0.3
66.78039	0.3
71.34821	0.3
71.37440	0.4
81.66702	0.3
83.01283	0.5
86.85899	0.3
93.03379	0.6
107.01286	1.2
108.02087	0.3
109.02834	0.6
115.56234	0.4
119.04959	2.1
125.02328	0.7
151.00302	2.3
169.01424	0.3
175.16792	0.3
211.20673	1.8
212.21259	0.3
225.22304	1.4
246.79367	0.3
253.21736	1.3
269.21313	1.2
271.02933	0.5
271.06198	4.0
271.22842	100.0
272.23172	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	269.2128
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
51.25692	0.2
57.17971	0.2
59.01266	0.5
63.09139	0.2
69.82871	0.2
70.78689	0.6
71.74089	0.2
74.46426	0.2
82.73378	0.2
84.78168	0.2
117.03336	0.3
150.70970	0.2
151.00233	0.3
176.09677	0.2
186.95566	0.5
195.17450	0.4
223.20692	0.8
225.22388	0.2
231.76683	0.2
251.20230	0.5
267.19772	0.8
269.04681	1.3
269.21286	100.0
270.21609	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	269.2128
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
52.68061	0.3
57.03336	0.5
59.01263	1.1
63.35879	0.4
64.72190	0.4
67.01747	0.3
70.87151	1.1
71.01292	0.5
71.04898	0.4
89.02355	0.5
109.11649	0.4
113.02293	0.5
117.03363	1.0
123.08140	0.4
125.09622	0.9
127.47294	0.3
141.12805	0.8
149.02333	0.4
151.00342	0.5
168.20897	0.4
171.10176	0.4
223.20628	0.5
225.05693	0.5
225.22275	2.8
251.20277	1.4
269.04642	6.3
269.21280	100.0
269.24603	4.1
270.21582	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	271.2286
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01257	0.7
63.02308	0.4
65.00221	0.7
69.54251	0.4
81.03349	0.4
84.02052	0.5
84.90288	0.4
91.27272	0.4
98.19846	1.1
107.01311	0.7
119.04958	2.2
125.02339	0.8
151.00345	2.4
197.19055	0.8
221.19160	0.6
223.20695	3.9
225.22249	58.5
226.22568	3.7
227.33720	0.4
240.36061	0.4
253.21803	1.5
269.21237	0.5
271.03635	0.4
271.06226	2.8
271.22855	100.0
272.06354	0.5
272.23212	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	269.1303
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
59.01259	1.7
62.96275	0.9
66.70380	0.5
71.01289	1.3
71.59588	0.8
73.02796	0.5
75.46824	0.5
89.02338	1.4
90.97017	1.0
104.25046	0.5
117.03397	1.5
120.04493	2.7
126.48853	0.6
132.98094	1.1
136.07628	0.7
149.02478	0.7
151.00331	0.8
183.01175	0.9
186.95583	5.0
197.02638	1.1
211.08800	3.0
225.10294	4.5
225.22263	1.1
226.12567	1.2
236.09680	0.5
239.08290	2.5
240.09067	0.9
241.13528	4.0
251.11824	0.6
253.09872	2.5
254.10655	7.5
269.04749	7.9
269.13016	100.0
269.21304	18.9
269.24899	5.7
270.05139	0.7
270.13342	6.4
270.21567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1971
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
57.03338	6.6
59.01266	3.3
65.44051	0.3
69.03350	0.5
69.46553	2.6
71.01279	1.0
72.99200	0.5
73.02834	0.5
77.97686	0.3
81.99950	0.4
83.04939	0.4
85.02827	0.4
85.06489	0.5
87.00751	0.5
89.02309	0.6
95.04925	2.1
97.06488	12.7
98.06801	0.5
98.95501	0.8
101.02316	0.5
113.09635	16.0
121.02851	0.4
125.09669	0.4
135.04445	0.3
136.61140	0.3
139.07536	0.4
151.11206	2.7
157.08655	1.2
161.04453	0.4
165.09140	0.4
169.12289	1.0
179.05562	0.5
185.15372	0.4
223.20700	1.8
249.18623	6.8
250.18954	0.5
257.99292	0.4
258.96234	0.3
267.19714	100.0
268.17267	0.7
268.20053	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84990	0.6
55.01771	8.1
57.03345	6.4
58.00484	2.2
58.03684	0.7
58.33018	0.6
59.01265	45.6
61.98696	0.8
66.69140	0.6
69.03340	1.4
71.01271	100.0
71.04511	1.3
71.04882	1.2
72.01618	1.3
72.99194	4.7
73.02838	37.1
73.22653	0.7
75.00771	2.5
81.03362	1.4
83.01279	20.4
84.02042	1.5
85.02844	49.2
85.99979	1.3
86.03207	0.8
87.00770	4.6
89.02359	5.0
95.01282	7.3
96.95947	0.7
97.02857	2.9
99.00784	16.8
101.02347	81.5
102.02695	2.2
107.04919	1.4
111.00812	1.0
113.02358	39.3
114.02708	1.0
117.03381	0.7
120.94636	0.6
125.02400	1.8
129.01839	1.9
143.03426	3.2
159.02939	8.7
161.04503	28.0
205.03566	1.7
241.39580	0.6
269.04611	3.1
269.10397	8.9
269.13498	1.3
269.18097	1.1
269.21320	10.3
269.24826	2.3
270.10403	1.2
270.21603	0.6
272.09488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51045	0.3
57.54846	0.3
71.38683	0.8
78.95797	42.5
96.96868	18.4
125.95162	0.3
162.54787	0.3
206.90730	0.3
267.10089	100.0
268.10376	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	267.1009
Annotation	Loxoprofen sodium
Peak:m/z	Relative Intensity
51.16357	0.2
59.01267	0.5
70.58727	0.8
71.01256	0.5
78.95795	73.6
83.99909	0.3
85.02828	0.2
87.00783	0.5
96.96863	37.4
119.64249	0.3
135.03041	0.9
227.07317	0.2
267.10074	100.0
268.07687	0.5
268.10410	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	267.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35018	0.2
55.45509	0.2
59.01256	0.2
71.32785	0.3
71.33116	0.3
78.95795	79.7
96.96864	43.9
98.94717	0.2
112.94051	0.2
188.64467	0.2
191.85077	0.2
267.10080	100.0
268.10406	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	267.1009
Annotation	Loxoprofen sodium
Peak:m/z	Relative Intensity
57.16735	0.4
64.72936	0.4
70.31831	0.4
70.86957	1.1
78.95795	100.0
93.47334	0.5
96.96865	52.7
210.60298	0.5
214.25870	0.4
230.36789	0.4
240.46053	0.5
256.54950	0.5
267.10083	84.4
268.10397	2.5
268.12952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.218
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
54.69645	0.7
59.01270	7.8
59.82505	0.7
71.01322	0.9
71.58635	1.2
72.85654	0.7
76.68691	0.8
77.95332	0.7
79.76826	0.7
83.93077	0.7
96.66161	0.8
96.95929	10.7
120.78397	0.8
128.02457	0.7
218.22197	0.9
247.20726	0.7
265.14886	10.9
265.21780	100.0
266.22186	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	267.0729
Annotation	Inosine
Peak:m/z	Relative Intensity
50.06903	2.8
50.23159	2.3
57.03333	3.7
59.01266	28.4
65.49431	2.9
65.99770	2.9
69.71561	15.8
71.01266	30.2
71.87251	2.5
72.99183	6.8
73.02839	4.8
75.00755	10.8
85.02840	27.0
87.00773	74.3
88.03939	6.7
89.02344	12.2
92.93969	2.8
95.01284	3.3
99.00789	9.5
101.02353	5.6
103.00280	8.0
111.00824	7.0
113.02364	31.4
115.00330	4.4
117.01858	7.0
129.01880	6.3
131.04579	2.7
133.01311	3.6
141.01814	4.4
147.02901	2.8
168.53745	2.8
191.01944	8.0
191.05580	16.0
193.03485	3.6
249.06186	3.5
267.07266	100.0
268.07535	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	265.1816
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
51.07240	0.7
59.01268	100.0
60.01595	0.9
71.01275	1.3
71.60813	1.3
89.14487	0.6
96.95933	1.0
101.02368	1.0
109.77164	0.7
123.00819	0.8
136.35265	0.8
161.04498	1.2
221.15477	0.9
238.92496	0.6
265.14835	4.2
265.18155	78.6
266.18512	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	265.1815
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
54.01769	0.4
59.01265	100.0
60.01611	0.7
65.81805	0.4
68.50670	0.4
71.01260	1.0
71.58396	0.8
76.37611	0.4
85.02854	0.9
96.95916	7.0
99.04439	0.6
101.02345	0.6
115.04021	0.3
134.04671	0.6
163.04012	0.7
205.07118	0.5
221.15523	0.6
245.90887	0.5
265.14941	6.5
265.18115	71.7
266.15506	0.6
266.18481	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	265.1815
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
57.03321	4.7
59.01265	48.2
71.01268	6.6
71.56644	2.1
74.64281	1.8
78.95784	7.8
85.02856	3.7
86.70116	1.6
93.03416	1.6
95.04940	3.4
96.95886	2.5
97.06487	10.8
99.04410	10.5
99.08027	3.0
101.02329	2.9
113.09567	1.7
121.10155	44.9
125.05974	3.6
134.04660	2.3
143.05942	3.8
143.07077	75.3
149.13239	2.2
157.08635	3.2
163.03905	2.5
165.09171	2.9
183.82520	2.1
203.17969	10.2
221.15375	2.9
221.19080	5.1
229.95972	1.7
247.17062	68.2
248.17415	5.7
265.14801	8.9
265.18143	100.0
266.18552	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	265.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.8
71.34746	0.8
78.95796	41.5
88.71061	0.3
95.96058	0.6
96.96864	100.0
111.95595	0.9
122.98485	0.5
124.01188	0.3
131.92380	0.3
159.48125	0.3
165.33290	0.3
189.03238	0.5
190.07401	0.4
191.05582	0.5
205.84207	0.3
207.04289	0.5
231.07822	0.3
233.05859	4.3
247.07454	1.4
248.08037	0.5
265.08536	24.1
266.08789	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19076	0.7
57.03332	1.9
58.26883	0.8
59.01263	13.3
69.39767	7.2
76.25330	0.9
78.06461	0.8
78.95794	100.0
80.27589	0.9
85.83962	0.8
96.96863	68.2
98.19833	1.8
101.48102	0.9
104.48016	0.7
108.02128	0.8
113.02363	1.0
158.04530	0.7
163.62077	0.8
207.04303	6.0
247.07460	10.2
265.08536	62.0
266.08875	2.8
279.79468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52908	0.3
59.01268	5.7
70.08220	0.3
71.01258	0.7
71.49720	0.4
79.95613	2.0
85.02832	0.4
95.95143	0.6
96.95912	100.0
101.02332	0.5
115.45208	0.3
134.04701	0.4
148.62563	0.3
161.04471	0.3
195.34706	0.3
210.26459	0.2
263.10559	0.3
265.14835	84.4
266.15182	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	265.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76830	0.4
70.73841	1.7
75.93434	0.5
78.95795	100.0
90.85281	0.5
93.09158	0.5
96.96865	88.6
98.20487	0.5
98.98562	0.4
141.41605	0.5
145.04234	0.5
149.00067	0.8
152.82755	0.5
168.10513	0.5
171.55368	0.6
207.04248	1.7
224.35730	0.5
247.07457	1.9
265.08517	78.8
266.08765	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	265.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	10.6
69.64616	5.0
69.65024	1.9
78.95797	100.0
82.02872	2.2
96.96866	83.5
100.70355	1.0
107.37318	1.0
126.20647	0.9
207.04272	6.9
235.07465	2.0
247.07481	7.7
250.85268	0.9
265.08533	71.0
266.08832	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	265.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00147	0.5
55.64394	0.5
59.01266	5.4
61.01682	0.5
62.96287	0.8
71.01261	0.5
71.57868	0.4
72.99165	0.9
73.02830	1.1
78.95797	100.0
85.59066	0.5
86.25958	0.6
93.03339	0.8
96.96866	68.5
114.31429	0.6
119.04936	1.0
125.02390	0.5
135.04416	0.8
145.02893	1.7
149.00037	3.4
149.05994	0.7
163.01605	0.9
191.05511	0.6
205.05037	0.8
205.95200	0.5
221.08243	2.1
235.12994	0.5
238.05420	0.5
247.07462	3.6
265.08646	14.0
265.14523	0.7
266.08804	1.0
284.34897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03838	0.9
59.01268	32.4
59.51055	0.9
69.50074	3.9
69.50494	3.9
71.01280	2.4
74.31279	1.0
76.75466	0.8
78.86846	0.8
78.95369	1.8
78.95798	22.0
84.00782	1.3
87.50446	0.9
91.81181	1.0
93.03347	0.9
96.96873	17.6
108.88136	1.0
113.08587	1.0
116.04987	3.5
128.04990	2.7
130.06558	31.4
131.03706	6.8
132.04337	1.0
132.08113	5.3
142.06541	10.0
143.39603	1.0
144.04469	1.8
145.02879	1.8
158.06046	2.4
160.06371	2.1
160.07645	32.9
161.07912	2.0
172.03995	1.4
176.07133	62.9
177.07542	2.1
193.02716	1.5
194.08199	17.8
204.06651	3.0
222.07732	100.0
223.08046	5.9
225.11147	0.9
236.09332	6.7
237.09215	1.7
247.07472	2.5
264.08853	11.0
265.08582	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44968	0.3
52.99113	0.3
57.10870	0.3
65.42579	0.3
71.12283	0.7
78.95791	100.0
92.35288	0.3
95.96059	0.4
96.96861	82.4
139.43021	0.3
149.00023	0.7
207.04263	0.9
232.08403	0.5
247.07471	1.7
265.08508	86.5
266.08774	3.6
281.10690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1658
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
51.58758	0.5
52.64618	0.5
57.03331	2.3
57.41745	0.5
59.01266	16.6
64.11534	0.5
67.01772	0.6
69.03345	1.3
71.01273	0.8
71.46437	0.8
73.02837	1.0
81.62022	0.5
83.04909	1.5
93.03358	0.7
93.06987	0.8
95.04932	6.3
97.06494	22.0
98.06836	0.7
109.06515	0.8
113.09627	2.5
121.10158	18.3
122.10439	0.9
125.05891	0.5
139.07582	2.3
141.05508	0.5
147.08095	6.0
157.08636	8.5
163.11299	0.7
165.12766	4.2
169.08632	3.2
176.02208	0.6
181.08693	1.1
183.10249	1.2
191.14398	0.9
195.10284	1.1
201.16479	2.1
216.99988	0.5
219.17590	3.7
245.15454	3.0
263.16574	100.0
264.16885	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2022
Annotation	KDC 165
Peak:m/z	Relative Intensity
52.57923	0.3
59.01264	6.2
69.17425	0.4
70.31947	1.3
71.01244	0.7
75.30375	0.3
77.17483	0.4
83.04939	0.5
101.05980	0.8
115.21924	0.3
219.21140	0.5
263.20206	100.0
264.20505	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1295
Annotation	Phomenone
Peak:m/z	Relative Intensity
57.03341	3.5
59.01262	27.6
69.24789	16.8
69.25191	2.2
71.01268	7.1
73.02840	1.5
79.05434	2.1
81.43070	1.5
83.04903	2.7
93.03355	2.4
95.04926	3.8
97.02849	12.4
101.05997	2.0
105.07001	3.5
107.04893	3.0
108.02077	1.9
108.05721	6.3
109.02865	5.5
109.06487	4.5
111.04433	14.3
111.08060	1.8
113.06009	9.8
119.08579	4.8
121.06522	2.3
122.03641	10.9
123.08092	7.7
125.06014	20.2
135.08069	2.9
136.05226	14.6
137.06050	9.0
138.06805	21.9
139.06557	2.7
139.07588	41.4
148.05229	8.8
149.06052	4.0
151.07585	74.0
152.04758	8.1
152.08372	39.8
153.09167	14.0
159.11728	4.5
161.09642	8.6
163.07596	15.2
167.07120	4.3
183.11835	1.8
185.09676	1.9
186.10368	1.9
188.08363	3.2
189.09210	8.3
189.12878	2.0
201.12836	33.2
202.13173	2.3
203.10751	28.0
204.11539	67.8
205.11902	4.1
219.13901	100.0
220.14250	6.4
245.11832	1.7
248.10583	2.2
263.12921	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	263.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99485	3.3
59.01263	19.4
62.59718	0.3
69.85752	0.3
70.10003	0.3
71.01276	0.5
71.57838	0.6
83.01360	0.3
84.00798	0.3
87.00774	3.8
87.02624	2.1
93.03338	0.6
96.95908	4.7
101.02335	0.5
101.05966	1.5
107.45057	0.3
112.85452	0.3
115.05817	0.3
121.10155	0.3
122.49808	0.3
125.20277	0.3
131.05286	2.1
133.06853	100.0
134.07202	2.5
135.04448	1.0
149.02432	0.4
161.02399	0.8
167.39000	0.3
179.03465	0.8
183.10233	2.2
203.05940	0.2
203.07451	7.3
221.08527	16.8
222.08887	0.6
263.06030	5.9
263.09592	4.6
263.48349	0.4
264.06308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29590	0.4
58.99494	3.8
59.01266	14.0
60.55577	0.4
69.03329	0.8
71.01239	0.4
71.58263	0.7
73.02835	0.5
78.13966	0.4
84.00797	0.4
87.00778	4.2
87.02621	2.3
93.03388	0.6
95.95123	0.6
96.22354	0.4
96.95924	6.0
101.05974	0.8
121.10139	0.6
131.05280	2.2
133.02902	1.2
133.06859	100.0
134.07216	2.9
135.04472	2.1
158.26537	0.4
161.02408	1.8
179.03464	1.1
183.10216	2.9
203.07452	6.3
221.08539	15.2
222.08867	0.8
258.50885	0.5
263.06021	9.4
263.09631	3.6
263.26358	0.5
264.06390	0.4
280.37769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44230	0.4
56.96382	0.4
59.01266	100.0
60.01600	1.6
69.03325	0.5
69.82311	0.6
69.82725	2.1
71.01278	0.9
73.02841	0.7
85.02835	0.5
86.12223	0.4
87.00821	0.7
92.93629	0.5
93.03380	0.9
96.95915	21.0
98.19921	0.6
113.02354	0.6
117.29106	0.4
133.06863	1.6
168.51822	0.7
176.02985	1.0
183.10345	0.9
191.47388	0.5
212.24545	0.5
222.95842	0.4
257.22244	0.5
263.05966	8.5
263.08508	0.6
264.06259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	100.0
60.01605	1.0
67.57198	0.3
69.62891	1.7
69.63307	0.9
71.01289	0.6
73.02829	0.5
87.00779	0.3
89.02335	0.4
93.03385	0.5
98.20531	0.6
101.02364	0.5
113.02390	0.4
118.62182	0.4
130.06578	1.4
132.89569	0.3
142.06593	0.5
148.79344	0.3
160.07669	1.1
160.37068	0.3
176.07150	2.9
181.74742	0.3
194.08215	1.0
204.04213	0.4
204.06807	0.4
205.64122	0.3
219.10617	0.4
222.07724	4.7
226.80475	0.3
236.09515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01607	1.2
66.78978	0.5
66.84475	0.6
70.16153	2.7
71.01288	0.7
73.02855	0.7
78.95802	0.7
86.02394	0.5
96.96896	0.6
101.02360	0.7
101.05996	1.7
215.26126	0.5
225.84744	0.6
228.31291	0.5
245.31270	0.6
249.36192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01600	0.5
70.31711	2.7
71.01277	1.0
73.02857	0.6
78.95809	2.0
93.03368	1.4
96.96903	0.9
98.20475	0.7
103.01487	0.5
113.02365	0.6
117.56778	0.5
117.62773	0.6
120.02300	0.5
124.42243	0.6
146.14917	0.5
160.07607	0.9
160.36501	0.6
176.07201	2.1
182.51813	0.6
183.77870	0.5
194.08450	0.6
203.76996	0.6
219.76315	0.5
222.07713	3.5
263.07147	0.7
266.05969	0.6
283.85742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	100.0
60.01611	1.1
63.81656	0.2
69.35171	1.3
69.35595	1.3
71.01299	0.4
71.84023	0.3
73.02843	0.8
84.63127	0.2
93.08459	0.3
101.02383	0.3
104.78023	0.2
113.68736	0.3
113.97475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01607	1.2
69.63914	1.3
71.01268	0.4
73.02853	0.7
75.66405	0.2
98.19824	0.4
101.02379	0.5
117.02284	0.2
151.78368	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01604	1.4
65.04174	0.3
67.41898	0.3
69.69883	1.1
69.70309	1.0
71.01270	0.5
72.86264	0.3
73.02856	0.5
82.07018	0.4
93.03416	0.8
96.95913	9.7
114.01900	0.4
121.02911	0.6
133.02916	0.5
135.04477	1.1
142.83084	0.3
149.02470	0.7
161.02452	0.6
173.04602	0.3
179.03494	0.6
250.67848	0.3
263.05942	3.7
264.06409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01603	0.8
69.40279	3.3
69.51596	0.3
71.01283	0.8
73.02845	0.7
82.88264	0.3
87.89564	0.3
96.44425	0.3
101.02364	0.7
104.13139	0.3
113.02419	0.3
124.06928	0.3
136.01395	0.3
204.11565	0.4
212.18018	0.3
250.17467	0.3
260.08157	0.4
263.13083	0.5
263.16571	0.5
277.42453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16711	0.6
59.01265	100.0
60.01592	0.6
71.01254	0.7
71.56019	0.9
73.02847	1.2
73.56313	0.6
82.04755	0.6
93.11324	0.6
101.02354	1.1
101.06036	1.1
126.99152	0.5
193.55295	0.5
201.70091	0.5
263.12924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76926	0.3
59.01266	8.9
61.88746	0.4
71.01277	0.5
71.57817	0.5
72.99194	0.3
84.00826	0.5
87.00755	0.5
93.03371	0.7
96.95924	0.4
101.02405	0.5
101.06006	1.1
102.04655	3.5
108.02104	0.6
115.05470	0.9
117.07047	4.9
121.02869	0.5
133.02901	0.6
133.06467	0.8
135.04469	0.6
143.04973	1.9
145.02896	1.1
146.03661	0.8
148.01602	2.8
158.03630	2.0
159.04437	2.1
160.05254	6.1
160.27655	0.3
161.06030	100.0
162.06375	4.2
176.03120	0.4
176.04729	1.0
179.07028	0.4
189.05553	5.8
190.05981	0.4
191.07111	76.9
192.07457	3.4
219.06628	41.6
220.06931	2.1
225.11366	1.5
263.05658	11.4
264.05948	0.5
264.12350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70263	0.7
59.01264	100.0
60.01586	1.1
64.72281	0.6
70.96210	1.6
71.01291	1.3
73.02843	0.8
101.05978	2.9
105.82567	0.6
165.05536	0.6
214.78220	0.7
219.14041	1.0
253.93826	0.7
263.13113	1.6
271.00851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.008
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
50.27518	0.9
57.03313	1.3
58.02853	1.0
59.01263	10.9
65.17857	1.1
65.74414	0.9
69.03345	1.8
69.25963	0.9
71.01273	3.1
71.35001	0.9
71.57775	1.6
72.99200	13.3
73.02843	1.9
75.00764	2.8
78.95792	4.8
79.95616	6.7
80.91569	4.3
83.04935	1.4
85.02843	3.9
87.00777	3.9
87.02647	1.6
88.03958	1.6
93.03355	19.1
96.00751	1.0
96.95900	2.8
96.96869	2.6
97.02844	1.1
99.00789	1.7
101.02349	1.8
107.04922	2.1
110.98423	2.9
111.00780	3.2
112.98695	3.6
115.03924	1.2
117.01886	1.3
119.04941	36.9
120.05249	1.6
121.02873	1.4
129.01842	1.1
129.85732	1.0
135.04456	20.2
141.01915	1.4
145.06129	2.1
156.94281	1.0
163.03954	31.0
164.04317	1.6
173.04385	1.7
181.05029	68.4
182.05365	2.7
189.05109	1.1
190.61436	1.0
191.05571	4.4
194.71005	1.3
199.00674	10.7
201.04060	2.7
201.11374	2.4
215.00177	6.0
217.08447	1.3
218.43765	1.0
219.12347	6.3
225.09798	4.1
261.00787	100.0
261.13367	2.8
262.01120	4.4
270.04080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00997	1.3
59.01269	19.9
61.81727	0.8
67.62252	0.7
71.59547	1.2
71.59917	0.9
100.42297	0.8
137.09636	6.9
145.47778	0.7
153.09079	1.1
155.10725	100.0
156.11093	4.5
171.10223	19.8
172.10577	1.2
172.48129	0.9
180.49008	0.8
181.08594	1.5
189.92725	0.8
197.11902	1.1
199.09744	37.8
200.10193	1.3
217.10812	89.1
218.11157	5.1
259.11917	22.1
260.12274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91944	0.6
57.22445	0.6
57.22747	0.7
59.01265	18.8
62.18811	0.6
69.64603	2.7
69.65028	1.6
70.53118	0.7
78.95794	17.4
82.30605	0.6
96.96863	15.9
98.20471	0.9
116.94035	0.7
118.60136	0.7
127.11255	0.9
134.96593	0.7
137.09657	7.8
155.10721	99.8
156.11076	4.5
171.10226	21.9
172.10574	0.7
181.08693	2.6
199.09740	37.2
200.10080	2.7
204.08871	0.6
217.10812	100.0
218.11137	5.3
259.08667	4.3
259.11859	23.0
260.12393	1.1
261.16135	0.7
274.48251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99978	0.2
58.88626	0.1
59.01266	0.7
61.12905	0.2
62.96295	0.2
68.25762	0.1
69.61902	0.1
69.97785	0.3
69.98178	0.4
71.01269	0.2
78.95794	100.0
86.88277	0.1
96.96863	47.1
97.02868	0.2
98.20455	0.3
101.02359	0.4
115.54475	0.1
138.97951	4.7
145.06290	0.1
150.97958	0.2
152.99545	0.2
168.99020	1.1
171.00642	0.4
198.90491	0.5
199.00169	1.8
214.93755	0.2
216.90736	0.3
223.00116	0.2
240.91582	0.5
241.01224	4.4
258.93048	0.8
259.02286	52.7
260.02527	1.5
267.54370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0231
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
50.61687	1.3
51.35849	1.4
54.04477	1.4
59.01269	2.1
66.62601	1.5
67.33144	1.4
70.62801	4.3
71.01280	1.6
78.95797	100.0
81.61539	1.6
87.00735	1.5
96.96869	40.3
123.12173	1.3
126.01878	1.9
133.01372	1.8
138.97977	5.8
139.46298	1.4
241.01100	3.4
242.03232	2.9
259.02316	76.7
260.04214	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	257.2126
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
50.53654	0.4
55.01755	0.4
59.01260	0.6
69.03292	0.4
69.60615	1.8
69.61037	1.2
83.04907	0.5
84.02069	0.4
101.02354	0.3
116.92734	0.6
125.02319	0.8
133.02856	1.0
135.04405	1.1
161.02342	1.9
173.04582	0.4
176.03975	0.4
179.03474	0.6
183.17534	0.8
188.31136	0.4
204.01843	0.4
207.17488	0.7
209.19069	3.4
211.20656	60.5
212.21017	4.4
239.20135	1.7
243.10533	0.4
255.19537	0.4
257.21268	100.0
257.23785	5.0
258.21576	7.8
258.23947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1763
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03344	1.8
59.01265	100.0
60.01591	1.1
69.49995	4.9
83.04951	1.0
89.42896	0.6
89.92442	0.6
93.03339	1.8
98.84377	0.7
111.04412	0.8
130.99562	0.7
133.02870	4.2
135.04448	7.3
136.04755	0.8
153.12796	1.6
161.02402	12.1
173.04514	1.0
176.03996	1.3
179.03465	4.8
180.03799	0.7
191.05614	6.3
195.17653	0.7
197.15407	2.0
211.16971	0.7
217.76863	0.7
219.34024	0.7
239.16606	2.7
245.77892	0.7
257.17618	76.9
258.17938	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	256.1922
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
53.60765	0.2
59.01251	0.5
69.46229	2.6
72.04440	0.6
74.02365	100.0
75.02694	0.7
84.04463	1.4
165.95380	0.3
210.18767	0.5
212.20192	4.3
213.20522	0.4
219.84550	1.0
256.19247	48.5
256.23511	16.6
257.19559	4.8
257.23959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0823
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
59.01254	0.8
65.03844	1.3
69.26679	5.8
79.01749	0.7
79.07607	0.5
81.03337	1.0
83.04910	1.1
93.03358	8.8
95.04928	0.9
98.20511	1.1
106.04150	18.0
107.04935	40.3
108.02081	10.8
108.02802	0.8
108.05269	1.3
109.02905	1.2
110.66164	0.7
111.04472	1.2
116.88726	0.6
119.04932	0.9
121.02065	1.0
121.02863	9.7
125.02334	1.0
133.02844	1.1
135.04413	1.1
138.03125	2.8
151.03937	1.8
161.02382	3.2
171.07979	1.0
174.64816	0.6
176.03967	1.0
179.03456	1.9
191.05634	1.2
211.07500	0.9
213.09206	57.8
214.09512	4.3
219.26967	0.5
224.92610	0.6
230.07678	0.5
243.91026	0.6
256.23682	3.1
257.08231	100.0
257.17545	1.7
257.23929	2.0
258.08536	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	251.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96134	0.8
59.01261	2.7
62.86149	0.9
67.75467	0.9
70.49191	0.9
72.44883	0.9
81.39329	1.0
97.06494	1.2
103.08257	0.9
108.89055	0.9
137.09653	100.0
138.10002	5.2
172.72462	0.9
196.06351	1.0
205.15976	8.8
207.17526	53.9
208.17854	4.9
223.17085	1.9
229.31856	1.4
251.16577	40.6
252.16867	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	251.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.3
59.01264	6.4
59.62378	1.0
71.01242	0.9
71.39358	1.4
72.65363	1.0
83.62447	0.9
88.95551	0.9
91.71823	0.9
95.04932	1.8
101.02365	0.9
110.85671	0.9
114.27522	1.0
137.09656	100.0
138.09987	6.7
153.12852	1.1
194.78661	0.9
205.15932	6.0
207.17528	50.3
208.17865	5.6
249.63737	1.1
251.09254	1.1
251.13051	1.7
251.16586	34.8
252.16840	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	253.2179
Annotation	(Z)-9-Tetradecen-1-ol acetate
Peak:m/z	Relative Intensity
59.01264	100.0
63.66500	6.2
65.89794	6.7
71.52940	13.4
127.20775	7.3
134.89381	14.9
193.07158	16.1
202.86664	7.9
253.21808	77.4
254.22173	13.4
266.63437	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1294
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
57.79184	1.4
59.01265	16.6
69.31811	9.0
69.32240	6.8
71.01279	2.6
77.13744	1.5
80.02588	8.2
87.56880	1.5
99.04421	3.6
104.22618	1.9
106.43813	1.5
159.02937	1.6
164.31219	1.8
189.12822	33.4
190.13173	3.4
207.13893	15.8
233.11862	13.9
235.43100	1.6
251.12938	100.0
251.16620	4.6
252.13263	10.5
268.93466	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	251.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.0
63.26950	0.3
65.35506	0.3
70.09150	1.5
71.01282	0.4
75.50186	0.3
78.95797	62.8
80.90891	0.4
80.96243	0.5
85.02844	1.0
87.00771	1.1
93.03365	1.1
94.03687	0.5
96.96867	55.0
98.20497	0.5
101.02326	0.4
119.04942	3.1
120.05289	1.4
139.76213	0.3
154.00525	0.3
157.23213	0.3
163.03951	3.3
164.01408	0.3
164.04311	1.5
168.54442	0.6
173.04500	0.5
191.05626	8.0
192.05949	3.3
193.06020	0.5
247.71724	0.3
250.56783	0.7
251.10587	100.0
252.10931	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	251.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25847	0.3
59.01265	0.7
70.14899	0.6
70.15296	0.8
78.95793	57.5
96.96864	48.1
101.16632	0.3
106.55701	0.4
136.03964	0.8
217.69209	0.4
251.10568	100.0
252.10909	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	251.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
60.92961	0.3
70.64868	0.8
70.65240	0.7
73.94173	0.4
78.95792	100.0
87.00774	0.4
91.82291	0.3
94.52295	0.3
96.96861	75.1
103.52703	0.4
103.90527	0.4
107.55743	0.3
108.79388	0.3
118.84937	0.4
136.04037	0.6
172.58298	0.3
175.38533	0.4
191.05705	0.3
230.37471	0.4
251.10579	83.4
252.10887	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	251.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08491	0.3
54.36616	0.3
56.61847	0.3
59.01256	1.2
62.96294	0.4
70.49763	0.8
70.50118	0.6
77.60799	0.3
78.95796	76.5
85.02859	0.5
93.03364	0.7
94.03712	0.5
96.96864	59.8
119.04934	0.8
120.05289	0.4
129.55051	0.3
149.06235	0.3
163.03896	0.7
176.42290	0.4
181.75735	0.4
191.05571	1.6
192.05922	0.6
200.94104	0.4
214.69041	0.3
223.07603	0.5
224.08116	0.6
228.57364	0.8
247.17159	0.4
250.56918	0.7
251.10588	100.0
252.10927	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	250.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.0
63.56501	0.4
69.27560	3.8
78.76705	0.3
78.95795	100.0
79.96236	0.8
80.96228	4.4
96.96866	85.0
97.97260	0.8
98.97301	3.7
100.77113	0.3
125.03561	0.3
128.43527	0.3
135.04517	0.4
148.05231	0.3
157.57286	0.3
165.77292	0.4
169.10057	0.4
173.46872	0.3
189.47609	0.3
191.05600	0.4
192.39835	0.4
199.62163	0.4
208.15865	0.3
227.52974	0.3
250.09351	94.9
250.14554	3.2
251.06892	3.7
251.09621	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	250.0936
Annotation	deoxyadenosine
Peak:m/z	Relative Intensity
58.54797	0.5
59.01255	1.9
60.47275	0.5
62.38735	0.4
70.47092	1.7
70.47455	0.5
71.01263	0.7
78.95798	95.0
79.96209	1.0
80.96223	2.6
82.79258	0.5
93.03345	2.0
96.51587	0.4
96.96867	91.5
97.97321	1.1
98.97289	4.3
111.04392	0.5
119.04929	3.8
140.67052	0.5
163.04002	3.7
168.04156	0.8
173.04483	0.8
185.14624	0.6
191.05614	3.3
223.07631	1.4
224.07787	0.6
228.23328	0.5
250.09354	100.0
250.14500	3.2
251.06897	4.6
251.09529	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	250.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73062	0.4
53.51320	0.4
53.62133	0.4
59.01254	2.1
59.61978	0.4
60.76729	0.4
61.73510	0.4
61.92809	0.4
61.98723	0.4
62.63667	0.4
63.05152	0.4
63.45955	0.4
70.02875	0.6
71.01269	6.2
71.26907	0.7
71.27226	0.5
73.18240	0.5
75.60470	0.4
78.95788	9.2
88.03932	80.2
89.04277	1.7
91.05434	2.0
96.95931	0.7
96.96860	7.3
104.14233	0.4
112.57215	0.5
114.01888	4.1
115.00282	14.9
132.02950	100.0
133.03290	1.8
134.06000	1.0
135.04440	4.2
146.68784	0.5
156.76459	0.4
159.26508	0.4
174.06956	0.4
177.92578	0.4
206.08261	2.3
231.20670	0.5
250.07259	17.8
250.09453	4.8
250.14375	2.1
251.07535	2.1
251.09828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.3
59.06280	0.4
64.42073	0.5
66.96297	0.5
69.76176	0.9
69.76585	2.5
70.02864	0.9
71.01276	7.3
72.00797	0.5
78.95795	30.1
84.50730	0.5
88.03934	74.6
89.04261	1.2
91.05424	2.3
93.76263	0.4
96.96862	22.6
112.01900	0.5
114.01871	5.1
114.99483	0.8
115.00284	14.2
132.02954	100.0
133.03284	2.3
134.06023	0.6
135.04449	4.9
206.08211	1.9
221.43851	0.6
232.06218	1.2
250.07259	24.0
250.09477	5.7
250.14439	0.6
251.07701	1.9
251.10568	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	249.1862
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.90271	0.8
59.01265	10.6
69.62827	6.5
71.01254	1.2
77.03722	0.9
98.19778	1.1
157.19160	0.9
205.15938	2.6
205.19487	1.2
219.02927	1.2
231.75652	0.9
249.14993	5.6
249.18622	100.0
250.14525	25.6
250.18840	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.15
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
53.41736	0.4
57.03335	0.8
59.01264	5.0
61.98731	0.5
62.24022	0.5
68.66440	0.4
69.25055	4.1
69.25464	0.8
70.33421	0.5
71.01278	0.5
75.00759	0.8
78.95786	0.6
80.48385	0.4
83.04902	0.6
85.02874	0.4
87.04401	0.9
96.96869	0.6
97.06510	0.4
109.06525	0.6
115.31480	0.4
133.02878	0.4
175.03944	0.4
177.07114	0.4
185.13358	1.9
187.14850	0.5
189.12753	0.6
191.27715	0.4
201.12866	0.6
203.14377	1.1
205.12354	0.6
205.15987	3.7
231.14063	2.2
249.14995	100.0
250.15169	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31776	0.3
54.46055	0.3
57.03337	0.3
59.01251	2.6
66.90585	0.3
71.56252	0.4
78.95804	0.6
83.04910	1.3
85.02821	0.4
87.04405	0.3
93.03362	0.3
96.96853	0.4
100.85914	0.3
107.04920	0.8
109.06493	1.4
109.69247	0.3
117.07016	0.9
119.04875	0.3
133.66685	0.3
137.09669	0.3
143.67348	0.3
149.09639	0.4
156.75389	0.3
161.06015	0.7
178.78902	0.3
185.13338	0.4
187.14873	2.4
201.12802	0.4
203.14386	4.7
204.04123	0.3
204.14754	0.4
205.12212	0.3
205.15898	1.5
219.13884	2.3
231.13953	1.1
234.11363	0.3
241.48474	0.3
249.14990	100.0
250.15321	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	249.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77277	0.6
57.03337	1.1
59.01264	12.4
61.98721	1.6
67.01779	1.0
69.03345	18.8
70.14190	3.3
71.01265	1.5
73.02833	0.8
75.00781	1.2
78.95788	1.1
83.04916	2.4
85.02820	0.8
85.06487	0.7
86.55671	0.6
87.04408	2.2
93.03371	0.8
95.04919	3.0
97.06498	1.4
101.02360	0.9
105.07062	0.9
109.06512	1.2
111.08119	1.0
121.02864	0.8
121.06509	1.1
134.07237	0.8
143.38423	0.6
149.09586	0.9
149.13313	2.4
151.11197	1.0
161.13292	0.8
167.10672	2.2
177.12846	1.1
187.14882	2.2
189.04059	0.9
193.12292	4.3
203.14403	1.9
205.12390	5.2
205.15947	10.8
221.15491	10.6
222.16006	0.8
231.13918	20.4
232.14214	2.0
248.58192	1.0
249.04019	1.1
249.14996	100.0
250.14983	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01273	2.2
61.98733	0.4
69.71778	0.6
69.72189	1.5
71.04910	6.5
72.83427	0.3
73.31048	0.3
78.95827	0.4
80.39000	0.3
81.03346	0.5
83.04910	0.3
87.04409	0.6
95.04948	0.8
95.64498	0.3
96.96831	0.3
98.19752	0.3
109.06480	0.6
119.05009	0.3
121.06512	2.0
121.10167	2.5
123.08088	0.4
135.08189	0.3
137.09682	0.4
139.11218	1.1
149.09656	1.2
149.13341	0.4
151.11351	0.4
163.11180	0.3
165.12805	0.5
177.09099	0.3
187.14903	1.1
189.12868	0.9
197.68365	0.3
200.05254	0.3
203.14366	0.8
205.15964	19.2
206.16327	1.4
249.15001	100.0
250.15331	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	249.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44443	0.5
71.44761	0.7
77.53905	0.5
78.95796	100.0
88.81934	0.6
96.96866	72.5
110.97062	0.6
113.39585	0.6
131.57336	0.5
132.02986	0.5
216.56456	0.5
223.08009	0.6
249.09015	77.6
250.09349	6.9
255.25237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.09
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18106	0.2
56.88524	0.2
57.93814	0.3
59.01266	1.8
69.53674	0.3
70.02855	0.8
70.36512	0.9
71.01266	5.7
72.00795	0.4
78.95792	100.0
84.12641	0.2
85.02838	0.3
86.63700	0.3
87.04442	0.3
88.03932	64.8
89.44430	0.3
91.05418	1.7
96.96861	63.5
100.10554	0.2
114.01886	3.6
115.00282	12.2
117.03364	0.4
119.05222	0.4
131.81924	0.3
132.02950	73.4
134.06003	0.7
135.04451	3.5
157.29907	0.3
158.82086	0.3
177.01796	0.3
189.03680	0.3
206.08200	1.8
222.18787	0.2
232.06248	0.7
249.08997	58.4
250.07245	16.5
250.09448	3.9
250.14534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23371	0.3
57.22350	0.3
57.49516	0.2
69.55360	2.2
78.95797	100.0
88.03906	0.5
92.28754	0.2
96.96865	64.8
118.63833	0.3
125.85056	0.2
125.89634	0.2
129.24188	0.3
132.02919	0.3
138.59380	0.2
159.89975	0.3
166.63220	0.3
181.42503	0.3
191.05531	0.4
209.47066	0.3
248.82179	0.3
249.09012	43.1
250.09373	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09356	0.4
55.02236	0.4
56.74910	0.4
70.08526	2.3
78.95797	100.0
81.53388	0.4
96.96867	99.2
116.97894	0.4
123.60018	0.4
153.08086	0.5
215.10255	0.5
249.09013	66.6
250.09337	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	249.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03064	0.2
62.96297	0.3
71.24249	0.7
71.24601	0.4
78.95792	88.1
80.03227	0.3
80.69936	0.3
91.06954	0.3
96.96862	100.0
102.11064	0.3
112.62418	0.2
120.42319	0.3
137.58096	0.3
137.72975	0.3
148.29002	0.3
159.84401	0.4
182.85648	0.3
223.01828	0.3
249.09009	80.5
250.09378	5.7
250.14471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70067	0.3
70.26099	1.3
78.95795	100.0
89.93471	0.3
96.96864	91.5
151.14600	0.4
189.25601	0.4
249.09010	83.7
250.09349	6.2
266.69308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96298	0.3
62.98930	0.2
66.36659	0.2
69.35774	2.3
69.36050	0.3
78.95798	100.0
79.96191	0.2
96.68620	0.3
96.96868	99.0
98.20555	0.5
122.30733	0.2
192.68961	0.2
249.09016	34.9
250.09377	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1708
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
58.18503	0.1
59.01258	0.4
61.64590	0.1
63.91107	0.1
69.04102	0.1
71.08417	0.2
71.08781	0.2
78.87113	0.1
82.58986	0.1
121.02889	0.1
132.98108	0.2
153.50261	0.1
174.99225	0.1
186.95543	0.4
204.15269	0.1
205.16037	0.3
206.03807	0.1
220.17058	0.6
231.13931	0.4
247.17062	100.0
248.17401	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	247.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03759	0.3
57.03331	1.1
58.00473	0.8
61.98690	0.3
71.01241	0.3
71.49178	0.3
72.99252	0.3
73.02834	3.7
77.92558	0.3
125.09606	1.4
127.11236	3.7
143.10716	0.6
155.10754	2.1
157.12286	0.6
165.09138	0.7
171.10216	4.8
171.13832	0.6
181.12321	1.0
183.10133	0.5
183.13795	0.4
197.11855	0.4
199.13400	1.7
201.11320	8.7
202.11539	0.3
209.11816	1.1
211.13341	2.2
213.11372	0.6
215.12880	5.8
217.14355	0.4
222.14546	0.3
227.12877	2.6
229.14455	11.2
230.14737	0.5
247.15538	100.0
248.15865	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	247.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
59.01264	1.8
69.28693	1.7
69.29126	2.3
71.01223	0.4
76.20969	0.4
79.05434	1.3
81.03349	2.4
95.08590	0.6
97.06496	3.4
107.04948	0.8
109.06455	0.4
119.08556	2.5
121.06515	10.0
121.10158	3.2
126.16826	0.5
137.09660	81.0
138.10007	4.4
143.09764	0.4
145.06483	0.5
147.08101	35.3
148.08426	2.4
161.13333	1.1
171.08150	0.7
185.13338	1.0
187.11246	11.7
188.11615	0.9
201.12737	0.6
203.14401	48.2
204.14754	4.3
247.06166	1.6
247.13428	100.0
248.13791	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	247.1343
Annotation	Enokipodin A
Peak:m/z	Relative Intensity
52.83039	0.3
57.16937	0.3
59.01268	1.1
64.53267	0.3
67.17689	0.3
69.52702	0.6
69.53100	2.7
73.02859	0.4
75.43832	0.3
79.14005	0.3
80.94176	0.3
93.03372	0.5
100.29175	0.4
117.03378	25.6
118.03571	0.5
118.04258	0.6
119.04948	20.3
120.05283	1.1
121.02882	12.8
122.03194	0.4
123.04449	4.5
133.02887	2.7
134.03682	0.9
145.02895	50.3
146.03241	3.5
147.04424	0.3
149.02383	0.6
162.03166	3.6
163.03966	8.3
165.01868	0.4
174.99113	0.5
184.00169	1.1
186.95612	0.6
247.13435	100.0
248.08136	1.0
248.13759	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	247.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72406	0.4
57.03339	1.6
59.01266	2.1
69.86042	0.4
71.01265	0.5
71.56015	0.7
73.02835	0.5
74.41933	0.4
79.05426	0.6
81.06993	0.6
92.66188	0.5
97.06495	0.4
107.04940	6.8
119.04942	4.4
120.05732	16.3
121.06519	6.0
122.03642	6.5
133.10170	0.8
135.08086	5.8
152.04736	4.0
161.13309	2.6
168.88876	0.5
187.11258	17.0
188.11667	1.3
201.12875	1.1
203.14401	100.0
204.14755	7.8
219.13872	0.8
247.13431	79.6
248.13774	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	247.0744
Annotation	Pyrimethamine
Peak:m/z	Relative Intensity
51.54794	0.2
59.01254	0.6
59.01896	0.2
63.52744	0.2
71.01304	0.2
71.23478	0.5
75.72266	0.2
78.95793	73.1
96.96863	100.0
102.41980	0.2
153.16795	0.2
201.38937	0.2
242.76413	0.2
247.07445	31.0
248.07788	2.2
255.62151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47324	0.2
59.01273	0.3
69.58981	0.5
69.59389	1.2
72.99201	4.1
78.95798	100.0
87.00756	0.5
93.03350	2.0
96.96867	81.1
110.61568	0.2
111.04388	0.2
112.57565	0.2
173.04527	3.8
247.07442	61.7
248.05095	0.3
248.07764	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	247.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.1
60.99182	4.3
67.01774	8.0
69.03342	2.1
70.98252	1.6
70.98624	1.6
71.01276	2.7
72.99200	100.0
73.02863	0.8
73.99534	1.5
78.95799	18.4
81.03364	1.4
83.04929	0.9
83.90327	0.9
87.00768	13.6
93.03359	53.6
94.03698	2.5
96.96868	15.3
99.00782	1.5
111.04426	10.1
115.04028	1.0
115.35393	0.9
129.01895	2.8
150.19936	0.9
155.03522	2.3
157.72672	0.8
161.83537	0.7
173.04518	99.6
174.04854	6.2
191.05605	3.5
247.04631	36.3
247.07431	9.4
248.05003	2.9
248.07753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1399
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
52.59982	0.4
52.61068	0.3
57.03345	1.9
59.01268	1.8
69.25525	3.8
71.04908	1.1
72.97064	0.3
73.02836	0.4
73.52768	0.3
78.95782	0.4
80.12460	0.4
83.04913	1.1
97.06496	0.7
111.08071	2.6
119.04932	0.4
125.09636	0.6
131.35413	0.4
136.05205	0.5
146.02452	0.5
146.86208	0.3
155.14372	1.8
163.11256	0.8
165.12805	17.5
166.05058	7.7
166.13121	1.3
181.12338	0.7
183.13878	17.8
184.14200	1.0
185.11777	0.6
199.13397	1.0
201.14955	9.0
202.15207	0.7
203.12894	2.0
207.10370	0.4
209.11818	11.1
210.12201	1.1
225.11316	1.0
227.12901	43.8
228.13231	3.9
239.79126	0.4
243.12473	0.7
245.13971	100.0
246.00841	0.7
246.14313	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	245.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08903	0.4
56.00945	0.3
56.86169	0.3
57.07208	0.3
59.01265	33.6
67.23091	0.3
69.69285	1.0
69.69696	1.8
75.91159	0.4
77.75189	0.3
78.95795	2.2
96.96845	1.8
98.19817	0.8
114.63731	0.4
116.10061	0.4
127.11211	3.4
137.09706	0.4
139.11235	1.3
155.10757	1.5
157.12289	14.8
158.12682	0.9
168.57700	0.4
177.45723	0.4
185.11795	16.8
186.12157	1.0
203.12874	100.0
204.11403	0.8
204.13184	6.8
220.20959	0.4
245.13991	8.1
246.14346	0.7
249.53926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1187
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
59.01262	0.6
70.81511	0.7
70.81883	0.6
70.94255	0.3
93.03353	0.6
117.03381	21.2
118.03691	0.6
118.04205	0.4
119.04947	100.0
120.05271	4.8
121.02882	5.3
123.04442	1.8
125.16136	0.3
132.05742	1.4
133.02864	1.5
134.03615	0.6
145.02892	41.8
146.03247	1.9
160.09055	0.3
162.03154	0.7
163.03961	48.7
164.04326	2.4
174.99205	0.7
245.11859	89.8
245.19022	1.4
246.12215	9.5
246.14767	0.5
250.18492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1186
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
51.41788	0.7
59.01253	3.6
61.98723	1.1
71.37531	1.9
72.64096	0.9
87.00771	1.4
93.03352	1.9
117.03385	67.0
118.03636	1.8
118.04227	1.5
119.04942	2.2
121.02877	70.7
122.03201	3.0
123.04446	25.9
133.02887	14.8
134.03705	7.0
145.02882	5.1
149.02437	0.9
158.07326	3.3
162.03178	34.6
163.03738	3.3
174.99200	3.0
201.09402	0.9
201.12849	3.9
203.12674	1.0
242.02902	0.8
245.11864	100.0
246.12253	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0437
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
51.32148	0.7
59.01268	5.8
70.09024	3.2
71.01279	3.8
72.99207	1.1
78.95797	100.0
80.73223	0.7
82.02879	0.8
87.00786	1.1
88.03951	1.5
89.02354	2.8
94.98002	1.0
96.96861	7.8
98.02344	0.8
98.20564	1.0
101.02342	6.3
114.59565	0.7
115.00285	1.2
116.07079	1.7
116.85269	0.8
119.03411	8.4
128.03447	2.7
128.30327	0.8
129.10223	3.9
130.08678	1.9
150.97948	1.0
152.99530	71.8
153.99899	1.7
160.21886	0.8
171.00601	30.0
201.12395	2.1
209.06740	2.7
237.13712	0.8
245.04366	92.0
245.11409	6.3
246.04729	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	243.1968
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
59.01264	2.4
61.98726	0.5
67.01785	0.7
71.57978	0.6
82.02869	0.8
99.00728	0.4
99.92466	0.8
110.02393	1.5
111.00787	0.7
123.00761	0.4
123.79022	0.4
131.15588	0.4
169.15906	0.6
172.08069	0.5
186.51237	0.4
195.17503	4.7
196.17780	0.7
197.19086	66.8
198.19411	6.8
225.11327	0.6
225.18631	1.3
241.18178	0.7
243.02882	0.9
243.19684	100.0
244.20033	9.7
245.01752	0.4
253.02390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1242
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
52.90314	0.5
54.61961	0.6
59.01250	2.1
59.67792	0.5
61.98686	0.8
71.04903	2.0
71.60249	0.9
79.35452	0.6
83.04940	0.8
90.15107	0.5
97.02846	2.5
97.06499	1.3
99.00786	10.6
109.06480	1.3
110.03647	1.1
125.09645	3.4
142.02631	0.6
153.12891	0.6
155.14340	1.1
163.11232	4.0
181.12289	13.0
182.12610	0.9
197.11780	0.6
199.11496	0.7
199.13388	23.1
200.13666	1.9
207.10271	22.9
208.10553	1.5
225.11334	43.8
226.09814	0.5
226.11629	3.3
229.07469	0.8
243.12411	100.0
244.09860	2.6
244.12737	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.2
57.52445	0.8
59.01264	35.0
61.98717	1.8
71.00668	2.5
71.01267	1.1
71.04903	1.5
73.02853	1.0
83.04897	1.1
99.00775	5.7
110.02330	0.9
125.09679	1.4
127.11231	1.3
139.11224	16.5
155.10733	1.3
163.11198	4.1
165.09177	1.3
171.10178	1.6
177.82880	1.0
181.12306	32.0
182.12617	1.7
183.10231	39.2
184.10524	2.6
199.04008	2.5
199.13377	20.3
200.13699	1.5
201.01964	2.0
201.11330	3.4
207.10242	15.9
208.10594	1.0
215.03407	1.0
225.11325	45.6
226.11664	3.3
243.03008	13.6
243.05215	2.2
243.12396	100.0
244.03423	1.0
244.12788	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	243.1241
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03329	1.2
57.52445	0.8
59.01264	35.0
61.98717	1.8
71.00668	2.5
71.01267	1.1
71.04903	1.5
73.02853	1.0
83.04897	1.1
99.00775	5.7
110.02330	0.9
125.09679	1.4
127.11231	1.3
139.11224	16.5
155.10733	1.3
163.11198	4.1
165.09177	1.3
171.10178	1.6
177.82880	1.0
181.12306	32.0
182.12617	1.7
183.10231	39.2
184.10524	2.6
199.04008	2.5
199.13377	20.3
200.13699	1.5
201.01964	2.0
201.11330	3.4
207.10242	15.9
208.10594	1.0
215.03407	1.0
225.11325	45.6
226.11664	3.3
243.03008	13.6
243.05215	2.2
243.12396	100.0
244.03423	1.0
244.12788	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	243.0666
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
59.01267	6.6
61.98702	1.5
62.75582	0.8
65.00198	2.2
67.01778	1.8
69.03356	0.9
69.25674	6.7
69.26096	2.2
76.07063	0.8
80.02553	1.3
81.03345	0.9
91.01793	34.0
92.02126	1.5
95.01273	1.8
107.04928	2.1
107.53709	0.9
108.02080	47.2
109.02934	7.3
110.02392	4.6
111.00790	1.9
121.02874	2.0
123.00784	12.3
135.00812	25.8
136.01186	2.0
137.02364	5.4
146.42760	0.8
152.01086	30.5
153.01434	1.9
155.14317	1.2
171.04517	0.9
183.13872	1.3
194.65321	0.9
197.05991	1.8
199.03976	1.1
199.07549	1.0
200.05646	1.1
201.14970	3.4
213.05612	1.4
215.07182	1.0
225.11380	1.8
243.06654	100.0
243.12231	3.2
243.16005	2.4
243.19679	3.8
244.06969	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	243.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60373	0.5
53.20102	0.6
54.68050	0.5
57.03319	1.4
59.01263	65.5
60.01587	0.6
61.41106	0.7
62.98849	0.6
63.39989	0.5
69.03339	2.0
70.04244	0.5
71.04894	0.8
71.57211	1.0
72.99194	9.7
83.04874	0.7
85.06477	1.8
102.92776	0.5
107.08565	4.0
109.10155	0.8
121.10154	2.0
123.20396	0.6
124.64246	0.5
125.09617	1.3
130.83246	0.5
137.09612	0.6
139.11189	3.7
155.10713	4.1
183.10229	68.0
184.10571	4.6
192.99631	0.6
201.11299	100.0
202.11642	7.3
205.75235	0.6
225.11243	0.7
226.81821	0.5
243.12419	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	243.0667
Annotation	2,2'-Dihydroxy-4-methoxybenzophenone
Peak:m/z	Relative Intensity
59.01276	9.1
61.98716	3.1
62.60674	1.7
69.03337	2.5
69.44512	10.2
69.44937	5.2
80.02562	5.8
82.02859	2.3
93.03358	100.0
94.03703	4.2
108.02077	57.6
110.02396	7.7
111.00758	2.0
121.02877	96.1
122.03217	4.5
134.70210	1.7
137.02379	2.4
149.02382	2.1
152.01059	3.5
152.03404	1.8
162.06763	1.4
169.06572	2.5
173.06059	1.6
199.07655	42.8
199.09468	2.0
200.05617	3.6
200.07997	4.9
243.02869	5.8
243.06708	33.5
243.12225	4.1
243.16054	3.8
243.19693	6.1
244.07004	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	243.0667
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
54.82182	1.3
59.01264	5.4
61.98713	2.4
67.01768	1.3
69.03344	52.5
71.01293	1.4
71.58688	2.2
79.01787	7.9
81.03354	2.9
82.02905	1.2
85.02835	6.7
88.57713	1.0
93.03374	3.2
95.01278	13.2
97.02850	33.1
100.63746	1.0
107.01299	12.6
108.02082	89.6
109.02901	31.5
110.02409	6.9
110.03084	1.5
111.00803	1.2
121.02868	29.0
122.03194	1.1
123.00786	13.7
125.02369	50.6
126.02693	1.8
135.00806	74.3
136.01160	4.6
137.02379	42.9
137.03456	1.7
138.02731	2.6
151.00298	3.3
152.01096	100.0
153.01462	4.4
165.01962	1.3
169.06531	7.2
173.04626	1.9
173.06035	5.5
174.06706	1.6
181.15936	1.8
197.06070	49.9
198.06461	4.3
200.05739	1.5
213.05585	9.3
215.07123	9.5
216.03069	1.1
225.11386	3.2
225.15018	2.0
226.05365	1.1
243.02806	3.2
243.06674	66.4
243.13936	3.9
243.16147	3.2
243.19763	2.2
244.02875	2.0
244.07050	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	243.0626
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01262	1.2
60.68414	0.5
66.03373	11.7
67.35781	0.7
68.01309	2.5
70.34264	2.5
71.01270	2.2
81.02087	0.7
82.02880	25.1
83.01288	1.0
83.03210	1.2
84.04441	0.6
94.02888	2.9
94.35342	0.6
96.04459	2.3
97.02872	0.8
108.04457	2.5
110.02390	100.0
111.01923	8.1
111.02729	3.7
117.01845	2.0
120.04485	0.7
122.02392	7.3
124.03954	3.2
132.02931	0.9
138.01956	0.7
138.05540	0.6
140.03465	11.8
152.03482	20.2
153.02971	9.2
153.04002	0.9
182.04561	1.5
192.60483	0.7
200.05627	49.8
201.05937	4.2
201.52234	0.6
243.06258	43.7
243.19679	0.6
244.06671	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	243.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31174	0.5
58.37405	0.5
59.01257	1.7
65.00217	1.1
71.58720	0.6
91.01793	50.0
91.49763	0.5
92.02111	2.3
99.00766	0.6
103.50842	0.5
110.02372	1.6
111.00776	1.2
125.04499	0.5
135.00812	100.0
136.01146	5.2
152.03484	0.5
153.01884	6.5
169.33656	0.5
200.05667	0.9
221.46281	0.5
225.11293	0.6
243.02948	0.8
243.06319	1.8
243.12360	1.6
243.16039	1.5
243.19766	0.5
253.26260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01606	1.2
70.20532	2.3
73.91667	0.5
78.95792	3.1
82.34651	0.5
86.66544	0.5
91.31330	0.5
94.37025	0.6
96.96864	2.1
98.19910	0.8
110.23723	0.6
120.28277	0.5
178.51016	0.5
181.12399	0.5
183.02919	4.1
243.05135	63.2
244.05492	5.4
255.53052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40063	0.3
59.01265	100.0
60.01611	1.3
87.00761	0.3
93.03363	1.0
95.01268	0.3
95.04903	0.3
98.19736	0.7
109.02911	0.4
121.02865	0.4
135.04414	0.5
136.56064	0.3
157.05064	0.4
161.02367	0.3
183.02974	4.5
201.11290	0.6
229.12418	0.4
243.05128	62.7
244.05466	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	243.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01606	1.2
70.20532	2.3
73.91667	0.5
78.95792	3.1
82.34651	0.5
86.66544	0.5
91.31330	0.5
94.37025	0.6
96.96864	2.1
98.19910	0.8
110.23723	0.6
120.28277	0.5
178.51016	0.5
181.12399	0.5
183.02919	4.1
243.05135	63.2
244.05492	5.4
255.53052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01604	1.5
71.13667	0.8
85.78087	0.3
93.03370	0.7
99.00784	0.5
124.70731	0.3
125.09644	0.3
142.23859	0.4
157.05051	0.4
181.12352	0.6
183.02953	3.7
199.13422	0.7
207.10286	1.4
225.11388	2.7
243.05132	62.3
243.12267	4.0
244.05417	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	242.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
59.01254	0.9
60.92563	0.3
61.98707	1.4
65.44861	0.3
66.03364	0.7
71.56514	0.6
82.06506	2.0
85.06487	0.8
96.01499	0.3
100.07594	1.4
101.05976	1.2
110.02403	0.5
124.44173	0.4
128.10780	0.6
154.12349	0.5
170.15469	12.5
171.15776	1.0
181.65379	0.3
185.06087	0.3
198.14981	100.0
199.15321	8.5
226.02719	0.7
242.14040	4.8
242.17699	0.8
242.21973	0.4
243.06879	0.4
243.16162	0.5
243.19873	0.5
264.08026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73256	0.3
59.01268	100.0
60.01617	1.3
66.97195	0.4
69.28927	4.5
70.03011	0.4
78.95806	0.5
89.38182	0.3
93.03358	0.9
95.01291	0.8
96.09917	0.3
148.22861	0.4
183.02960	4.2
199.26807	0.3
200.76909	0.4
201.11287	0.5
243.05141	67.1
244.05504	4.5
245.45430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1813
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
56.21595	0.3
56.36526	0.2
59.01258	1.0
62.56843	0.2
64.56811	0.2
65.26223	0.2
70.18135	1.1
71.30342	0.3
98.20498	0.4
114.56107	0.3
120.73460	0.2
165.12816	2.7
211.17035	18.3
212.17368	1.9
223.17059	13.1
224.17346	1.3
224.23256	0.2
239.16478	0.5
241.18123	100.0
242.18448	10.2
250.20560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03358	0.8
59.01265	43.5
60.01592	1.0
61.98714	1.5
65.01314	0.3
69.03336	3.7
70.61397	0.9
70.61755	0.8
71.01278	0.4
72.99200	3.5
78.91805	0.4
81.03302	0.3
83.04905	0.4
85.02827	0.5
95.04931	0.4
99.91365	0.3
101.38962	0.4
105.06974	0.5
107.08572	15.3
107.09308	0.7
108.08865	0.7
109.06557	0.4
119.08587	1.6
123.08085	1.9
125.09624	0.4
133.02875	0.4
133.06560	0.7
135.04465	0.9
135.08031	0.4
151.07578	1.6
153.09132	1.9
163.07570	1.6
169.08655	1.4
179.03465	0.6
181.06091	0.8
181.08659	14.9
182.08968	1.2
199.09735	100.0
200.10074	7.7
211.06090	0.5
215.05661	0.5
241.05125	0.5
241.07153	0.7
241.10785	4.7
241.14449	0.5
241.18187	0.7
241.21736	1.0
242.10965	0.6
254.54260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1086
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
51.11076	0.4
54.38903	0.4
59.01266	40.7
59.32189	0.5
60.01592	0.7
61.98697	0.8
64.00559	0.4
69.03345	3.7
70.89143	0.6
70.89495	0.9
71.01270	0.6
72.99198	2.8
74.92900	0.4
83.04897	0.5
88.07691	0.4
88.26291	0.5
105.07017	0.6
107.08572	16.8
107.09305	0.9
108.08894	1.0
119.08588	1.5
123.08070	1.4
125.09621	0.8
133.06609	0.6
135.08086	0.8
137.09619	0.5
151.07585	1.8
153.09119	0.8
163.07585	1.4
169.08713	0.9
170.92207	0.4
181.08664	14.8
182.08992	1.1
185.51303	0.4
197.11824	1.1
199.09740	100.0
200.10110	6.6
225.05252	0.5
239.75897	0.5
241.10887	4.1
241.21890	0.6
259.26312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.36194	0.4
55.01790	0.6
57.03329	1.4
59.01264	2.5
61.98715	1.3
65.99754	0.5
69.03339	3.1
70.14539	0.4
70.61942	1.3
71.01297	0.5
71.04910	4.8
83.04897	0.7
86.00020	2.1
87.00780	2.9
97.06487	0.6
101.44018	0.4
123.08094	1.4
125.09633	1.9
137.09607	0.5
151.11214	1.3
153.12793	7.5
161.09657	1.5
161.74994	0.4
169.12282	0.4
179.10727	7.2
183.31859	0.4
197.11810	100.0
198.12148	7.1
199.09633	0.5
215.05536	0.4
219.37494	0.4
223.09752	2.8
241.10838	86.6
241.14426	15.9
241.21695	1.1
242.11163	8.1
242.14865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13582	0.7
58.99487	1.4
59.01266	100.0
60.01591	1.3
71.01279	3.1
71.58477	0.9
73.02831	0.9
85.02863	3.0
87.00774	10.7
89.02351	2.0
96.95918	1.1
99.00796	2.7
101.02345	2.0
108.79237	0.7
113.02383	0.8
117.01833	1.9
125.02385	1.1
131.03461	0.8
141.01892	1.3
151.04324	2.2
159.02824	1.1
161.04506	8.7
162.04865	1.0
177.04065	0.8
179.05577	36.7
190.06026	0.8
239.05797	1.5
239.07910	1.8
247.11366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.9
59.01265	100.0
60.01605	1.1
69.70273	1.8
69.70702	1.6
71.01266	0.8
73.02853	0.5
81.03352	1.3
85.02847	1.8
87.00774	4.2
93.58576	0.5
95.01315	0.6
95.04939	1.8
96.95923	1.2
97.02844	0.9
97.06490	1.9
99.00800	1.0
101.02303	1.2
102.09934	0.5
109.06511	1.9
117.01855	0.7
119.45647	0.5
121.02821	0.7
125.02368	0.7
133.10162	0.9
134.73515	0.5
135.08090	1.8
135.17714	0.5
141.05504	7.8
151.11220	2.2
159.10152	0.9
161.04510	4.9
177.09122	3.1
179.05586	23.6
179.07085	1.5
180.05937	1.0
195.10236	29.4
196.10602	2.2
221.08144	1.5
239.05684	1.0
239.09267	25.5
240.09663	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	239.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56084	0.5
57.03339	1.0
59.01266	100.0
60.01592	1.6
60.13123	0.5
65.54659	0.6
68.59804	0.5
71.01278	1.3
71.57945	1.0
81.03339	1.0
85.02864	2.1
87.00775	6.0
89.02379	0.6
95.04924	0.9
96.95914	7.6
97.06506	1.7
99.00793	1.9
101.02322	0.7
109.06506	1.1
117.01871	1.2
121.02945	0.6
125.02386	1.2
135.08109	1.4
141.05492	5.0
151.11227	1.2
159.10205	4.3
159.11406	0.7
161.04498	7.4
177.05760	1.3
177.09219	1.9
179.05579	33.6
180.05910	1.6
195.10251	23.2
196.10562	2.2
221.08279	0.8
223.02832	0.8
239.06013	11.9
239.09325	22.9
239.12941	1.2
240.06375	0.8
240.09624	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	239.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34501	0.3
59.01257	1.1
70.93436	1.0
79.95226	0.3
79.95647	1.2
85.52005	0.3
96.95915	85.7
98.09068	0.3
98.45531	0.3
105.39521	0.3
113.09647	3.1
141.09149	0.4
159.10223	65.5
160.10565	3.4
179.05556	0.7
184.09158	0.4
192.46921	0.3
239.05980	100.0
240.06303	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	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57483	0.4
57.74025	0.3
59.01267	17.4
60.01608	0.4
66.16978	0.3
69.98851	2.2
71.01255	0.6
73.02857	0.3
73.26933	0.3
79.95214	0.3
79.95665	1.0
85.02863	0.4
87.00778	1.7
96.95917	100.0
98.20451	0.6
99.08058	0.6
119.41924	0.4
141.01884	0.4
159.10226	15.2
160.10562	0.9
161.04558	2.1
161.05669	0.4
179.05588	12.5
180.05945	0.6
208.03828	0.4
239.05971	65.4
240.06357	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	239.06
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55961	0.2
57.03316	0.2
59.01265	26.6
59.38731	0.2
59.96592	0.5
60.01584	0.5
62.10247	0.3
68.38850	0.3
69.94938	1.1
69.95354	0.5
70.26082	0.3
71.01267	0.7
71.82327	0.3
73.02802	0.2
73.76349	0.3
74.98961	10.1
76.43890	0.3
85.02847	1.2
85.07971	0.3
87.00771	3.2
91.02106	10.8
93.00037	4.4
93.10979	0.3
95.97430	0.2
97.02841	0.3
98.20432	0.4
99.00771	1.0
101.02343	0.4
117.01841	0.7
123.41808	0.3
125.02328	0.5
149.00882	3.8
150.00819	0.5
159.02914	0.3
161.04482	3.5
179.05569	17.6
180.05820	0.6
206.99713	2.8
223.02840	100.0
224.02882	14.1
239.05925	0.9
239.12949	0.3
239.16507	0.8
241.03967	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	237.0619
Annotation	3-Deoxyoctulosonic acid
Peak:m/z	Relative Intensity
54.44803	3.8
59.01258	12.9
70.06740	12.9
71.01268	17.7
72.99188	8.4
75.00755	14.8
77.82160	3.5
78.95802	4.6
85.02841	7.4
87.00774	100.0
88.01105	4.2
89.02348	8.0
101.02306	5.8
113.02350	6.8
129.01866	22.6
133.01367	8.0
147.02917	4.5
186.60353	3.6
193.03571	3.4
237.06169	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	237.0442
Annotation	7-Chloro-L-tryptophan
Peak:m/z	Relative Intensity
55.61150	0.3
58.94408	0.3
59.01263	1.1
60.03543	0.3
61.96046	0.3
61.98730	0.6
62.15107	0.2
69.55709	2.3
71.01276	0.8
75.00764	0.5
79.00226	0.3
79.95591	1.5
85.02827	0.3
89.02341	0.4
96.95917	100.0
98.20481	0.3
107.70566	0.3
119.04970	0.5
127.07576	0.5
129.01865	0.6
129.23564	0.3
137.02374	0.5
139.07512	0.3
145.02921	1.0
157.08669	6.5
158.09001	0.5
168.92426	0.3
193.01422	1.0
193.05374	2.4
237.04399	65.6
238.04720	4.9
248.61250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	7.9
61.74512	3.8
70.35235	13.9
87.40855	3.8
94.55127	3.4
145.38795	3.3
168.48332	3.5
235.06137	3.9
235.17081	100.0
236.17398	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	236.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98688	0.2
69.44724	1.3
71.01266	0.2
98.20583	0.3
101.02383	0.2
111.04354	0.2
121.02888	0.2
134.03673	0.5
135.04436	0.4
136.05205	0.4
143.91983	0.2
148.05243	6.4
149.05817	0.2
149.09682	0.8
150.09958	0.2
162.06841	0.4
164.27902	0.2
176.08409	0.7
177.09171	34.7
178.09517	2.5
179.10773	0.2
190.09938	1.4
191.07133	0.2
191.10742	0.7
192.11526	27.4
193.11919	2.5
198.02936	0.2
201.09216	0.5
203.07172	0.4
206.09489	0.2
217.08696	2.3
218.09467	7.6
219.09874	0.7
236.10550	100.0
237.10913	9.5
250.07692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1705
Annotation	1S,4R,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
55.72112	0.2
59.01250	1.0
64.11453	0.2
70.62376	0.3
70.62738	0.6
71.48684	0.2
72.18967	0.2
87.67039	0.2
141.58426	0.2
165.51764	0.2
190.64450	0.2
202.22693	0.2
219.84081	0.2
235.17061	100.0
236.17395	11.6
236.19865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1706
Annotation	1S,4R,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
50.06795	0.3
54.50448	0.2
59.01270	1.6
65.09445	0.3
69.14185	0.3
69.31178	2.0
69.31580	0.9
70.61507	0.2
73.02834	2.6
73.14187	0.3
76.86884	0.3
98.19820	0.4
109.60213	0.2
133.78389	0.3
135.30797	0.3
210.74167	0.3
235.17059	100.0
236.17400	12.0
236.19855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84759	0.3
56.99939	0.3
59.01264	27.9
60.01601	0.4
60.97394	0.6
60.99202	0.3
67.01785	0.9
69.46755	1.5
69.47157	0.8
71.01278	0.3
74.98958	7.0
74.99355	0.6
78.95790	4.9
78.96210	0.4
91.02108	0.9
93.00037	3.2
93.03362	5.8
96.96861	4.6
111.04445	0.7
118.96188	0.8
129.30531	0.3
134.99327	6.6
136.97249	2.2
136.98154	0.4
141.07248	0.4
143.05307	0.6
143.75459	0.3
149.00900	67.7
150.00873	4.8
150.73288	0.3
150.98849	0.7
159.07275	0.3
159.08398	1.8
161.06345	3.8
173.04504	7.9
174.04881	0.5
179.12732	0.3
211.48721	0.3
215.05649	0.9
217.07214	88.9
218.07320	11.9
233.10368	100.0
234.10507	13.8
234.15712	0.4
235.08330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46333	0.1
55.05068	0.1
59.01265	1.8
60.96288	0.1
62.21286	0.1
62.77181	0.1
62.96272	0.2
71.18409	0.3
78.95800	100.0
81.41952	0.1
93.03358	0.3
95.96072	0.3
96.96870	67.4
97.97327	0.1
115.69011	0.1
117.55933	0.1
121.76018	0.1
154.12305	0.1
173.04523	0.5
179.03418	0.1
190.92398	0.1
233.09509	46.4
234.09863	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	233.095
Annotation	Polyprenyl phosphate
Peak:m/z	Relative Intensity
52.73275	0.1
56.44350	0.1
62.96289	0.3
63.62894	0.1
71.46458	0.5
76.30182	0.2
78.95795	75.8
93.57896	0.2
96.96864	54.1
97.45860	0.2
102.06380	0.2
147.68903	0.2
174.30029	0.2
204.73120	0.2
214.54321	0.2
233.09496	100.0
234.09824	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	233.095
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96278	0.3
69.76746	1.0
78.95796	100.0
95.96075	0.3
96.96865	64.2
160.52298	0.2
193.49245	0.2
201.22171	0.2
233.09500	59.5
234.09842	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	233.095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39362	0.2
59.01255	0.4
62.96275	0.3
69.32806	2.5
69.33231	0.4
71.52795	0.2
78.95792	100.0
95.96167	0.2
96.96861	71.0
126.42873	0.3
131.74530	0.3
142.84642	0.2
163.32132	0.2
186.93942	0.3
218.71400	0.2
233.09489	77.6
234.09813	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	233.095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83868	0.3
60.18740	0.2
69.24373	3.3
72.90681	0.3
78.95795	87.1
82.85691	0.2
95.96147	0.3
96.96864	66.9
124.63901	0.3
233.09496	100.0
234.09848	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	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	4.5
59.01264	100.0
59.54129	0.4
60.01604	1.5
60.99185	1.2
65.26853	0.4
67.01779	4.9
68.99705	2.1
69.03358	0.5
69.61417	0.6
70.78445	0.8
70.78819	0.9
71.01269	18.5
72.99213	0.9
73.02827	2.5
78.95798	0.8
83.01281	4.6
83.04898	0.5
85.02047	0.4
85.02842	4.3
87.00791	1.1
89.02310	0.4
90.08685	0.4
93.03356	18.2
94.03703	0.7
96.95922	0.7
96.96851	1.3
99.00779	4.1
101.02337	1.3
104.03461	1.5
111.00789	5.8
111.04424	3.5
113.02332	0.4
115.00305	0.8
119.66924	0.4
125.16534	0.4
129.01857	9.7
130.02156	0.4
132.99548	0.5
155.03432	0.6
173.00871	1.2
173.04500	15.3
173.06041	0.8
174.04771	0.8
175.03954	1.1
195.08713	1.5
203.03485	0.8
205.05048	0.6
215.09340	0.5
233.04538	1.2
233.06636	1.6
233.10350	1.4
233.15466	18.4
234.09871	2.3
234.15819	1.4
236.82314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.8
57.03334	7.6
58.27330	0.5
59.01266	100.0
60.01598	1.6
60.99184	1.2
67.01777	4.5
68.99718	1.8
69.03352	1.3
71.01270	23.6
71.04884	0.8
71.46451	0.5
72.01658	0.5
72.99220	1.6
73.02840	4.3
75.00762	0.5
81.03391	0.7
82.79868	0.5
83.01281	5.8
85.02841	6.6
87.00774	3.4
89.02354	1.4
93.03359	15.2
94.03722	0.9
94.22416	0.4
96.99205	0.6
97.02856	0.6
99.00781	8.6
99.04442	0.7
101.02354	3.4
104.03448	4.8
107.05643	0.5
109.02874	0.8
111.00793	12.2
111.04403	2.6
113.02381	0.7
115.00328	0.7
115.03906	0.8
118.98029	0.7
127.03935	0.9
129.01863	17.7
130.02205	0.7
141.01852	0.5
144.62761	0.5
145.01370	1.8
146.08170	1.0
173.00928	2.1
173.04517	22.1
174.04843	1.1
188.09277	1.0
191.05579	0.5
195.08717	8.0
196.09096	0.6
197.09338	0.5
233.01129	0.9
233.06523	6.1
233.15482	14.8
233.17763	0.8
234.06424	0.9
234.07420	0.5
234.09880	6.7
234.15855	1.6
243.25121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1448
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.71590	0.4
57.03333	0.9
59.01267	0.7
61.98704	0.7
69.58155	2.9
73.22588	0.4
78.95798	1.1
80.86171	0.4
83.04939	0.7
85.02856	0.7
86.51905	0.4
93.03349	0.8
96.96854	1.0
118.61195	0.4
120.05537	0.4
125.09671	2.1
126.58472	0.4
127.11219	2.6
137.02443	0.4
161.48796	0.4
163.11235	0.5
167.14317	2.3
171.10243	3.3
179.91104	0.4
181.12247	0.4
183.13855	1.4
193.12340	0.9
203.05629	0.4
209.11847	3.4
211.13364	9.3
212.13768	0.8
229.14458	100.0
230.14810	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	229.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.3
59.01266	2.6
61.98731	0.5
64.39925	0.2
69.23578	1.7
69.23982	0.6
71.04888	0.7
75.12767	0.2
83.04908	0.5
83.29201	0.2
84.02035	0.4
85.02847	0.9
97.06472	0.7
98.19777	0.5
103.65716	0.2
123.08067	0.3
125.09656	3.9
127.11219	3.8
128.99846	0.2
155.14368	2.0
165.12788	0.8
167.14401	2.0
171.10159	0.5
183.13899	0.6
185.15315	0.3
209.11804	1.5
211.13383	3.5
212.13831	0.4
216.87227	0.2
229.14465	100.0
230.14810	9.8
230.17131	0.4
240.65569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
59.01248	0.8
61.98713	0.8
62.99636	0.3
65.01321	0.5
65.42036	0.4
65.99737	0.4
69.03320	0.5
69.40840	2.7
71.04930	0.5
74.97955	0.3
81.97906	0.3
83.04919	0.9
84.02077	0.4
85.02855	0.6
97.06517	0.4
99.65771	0.3
108.66375	0.3
111.45978	0.3
116.77017	0.3
122.61570	0.3
125.09655	2.3
127.11218	4.3
128.11658	0.4
139.11223	0.5
145.05064	0.4
146.69453	0.4
153.12843	0.4
155.10721	4.2
155.14363	1.2
163.11243	0.8
165.12817	0.6
167.14348	1.8
171.10234	3.4
173.50589	0.3
181.12291	2.7
183.10226	0.6
183.13835	1.2
193.12318	0.9
197.11829	0.5
199.13376	7.1
200.13771	0.6
201.11397	1.5
209.11844	3.3
211.13391	10.6
212.13757	0.9
229.14474	100.0
230.14793	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.65363	0.3
57.03337	0.3
59.01271	0.5
70.79361	0.7
70.79704	0.4
72.68129	0.4
75.88415	0.4
109.92836	0.3
120.05537	0.4
139.03908	0.3
139.11160	0.7
154.38269	0.4
165.12837	0.6
167.14375	26.9
168.14726	1.9
170.34706	0.3
183.13892	0.4
185.15460	0.8
211.13396	24.3
212.13748	2.1
229.14476	100.0
230.14813	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	229.1448
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.13663	0.2
57.03343	1.4
59.01248	0.7
59.61093	0.3
61.98709	0.7
64.29504	0.2
65.01362	0.3
69.03335	0.3
71.04888	0.5
71.59238	0.4
79.56728	0.2
81.95232	0.3
83.04903	0.5
84.02048	0.4
85.02860	0.8
95.81647	0.3
97.80482	0.3
107.02365	0.3
120.05595	0.3
123.08060	0.4
125.09653	2.3
127.11206	3.6
128.11646	0.3
139.91058	0.3
155.14351	2.0
165.12784	0.6
167.14363	1.6
171.04404	0.4
171.10239	4.1
172.10538	0.5
183.13878	0.8
185.11760	0.3
185.15440	0.3
186.06821	0.5
209.11807	2.9
211.13402	6.0
212.13794	0.7
229.08815	5.0
229.14467	100.0
230.14807	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	229.1447
Annotation	6-Peroxy-7(9)-dehydro-2,3,6,7-tetrahydrogeranyl acetate
Peak:m/z	Relative Intensity
50.04953	0.4
53.62614	0.4
53.79337	0.4
58.66018	0.5
59.01265	60.7
60.01597	1.0
69.89803	0.9
69.90221	2.1
71.34722	0.5
73.02888	0.6
74.77967	0.4
98.00006	0.6
104.95586	0.4
130.89116	0.4
139.11230	1.0
141.12782	31.5
142.13116	2.1
153.12820	0.6
155.07097	1.0
166.71045	0.5
169.12289	20.4
170.12607	1.5
185.08794	0.8
186.09166	0.4
187.13367	100.0
188.13702	8.0
215.12837	0.8
229.04979	0.8
229.07468	0.8
229.14359	2.7
229.18085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58446	0.8
71.58833	1.2
83.04887	1.1
85.06483	1.5
85.07708	0.7
100.07591	0.9
101.06001	0.8
103.30714	0.8
114.09120	1.1
140.09492	0.7
156.13884	14.8
168.85185	0.8
184.13403	100.0
185.13759	7.5
228.12424	4.5
229.08679	0.9
229.14502	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.6
59.01239	0.5
69.03336	0.5
69.62842	2.7
70.71874	0.4
71.04890	0.5
75.46892	0.4
83.04902	1.4
94.32748	0.4
95.04931	0.4
97.06480	1.3
111.08082	3.8
147.52036	0.4
163.11200	0.6
165.04659	0.4
165.12808	25.1
166.13092	2.1
181.12337	0.6
183.13878	25.3
184.14291	2.0
209.11827	17.7
210.12160	2.1
227.12895	100.0
227.20151	1.2
228.13242	9.5
228.15570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
54.78816	0.3
76.20869	0.3
78.35520	0.3
80.02563	1.6
81.03350	1.7
82.58132	0.2
83.01257	0.3
83.04918	5.2
84.02068	3.7
95.04932	0.8
125.06023	0.7
125.09608	0.4
135.08078	1.0
147.11702	0.4
153.12880	0.3
163.11244	4.9
165.12808	4.2
181.12311	0.7
183.13789	0.4
191.10719	1.4
209.11824	100.0
210.12163	11.0
227.03491	0.5
227.07207	2.1
227.12904	4.0
227.20177	0.6
228.13301	0.4
229.83179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29329	0.4
57.03337	0.8
59.01255	0.9
68.35198	0.4
69.76502	0.8
69.76900	2.2
72.17138	0.4
79.47520	0.4
83.04939	0.7
98.20530	0.7
101.69122	0.4
107.69372	0.5
111.08060	1.0
160.46953	0.5
163.11266	0.8
165.12793	20.2
166.13135	1.4
183.13870	100.0
184.14221	9.3
209.11823	5.6
210.12140	0.6
227.03526	0.8
227.07124	1.1
227.12901	28.8
227.16602	1.6
227.20114	3.2
228.13234	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	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
59.74741	0.4
69.34987	3.6
99.71258	0.4
111.08032	0.8
148.88554	0.5
165.12805	19.5
166.13103	1.6
183.13867	100.0
184.14366	7.8
191.10745	0.5
193.35609	0.4
209.11729	3.0
227.03520	0.7
227.12897	23.3
227.16498	0.9
227.20197	1.9
228.13239	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
58.72244	0.3
58.82626	0.3
70.50558	1.2
71.04899	0.8
80.02560	1.7
81.03355	1.7
83.01290	0.6
83.04447	0.2
83.04911	6.6
83.46303	0.3
84.02055	3.4
95.04927	0.6
98.26952	0.3
99.12669	0.3
109.06484	0.4
125.05973	0.6
125.09593	0.6
135.08078	0.5
152.23894	0.3
163.11230	5.4
164.11607	0.5
165.12825	2.8
166.13124	0.5
173.10799	0.4
181.12297	0.8
183.13905	0.5
191.10762	1.5
192.10999	0.5
199.07704	0.4
209.11816	100.0
210.12157	9.5
210.14204	0.4
227.03506	0.4
227.07278	0.6
227.12857	4.1
227.16414	0.5
227.20192	0.7
228.13113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0716
Annotation	Triptispinocoumarin
Peak:m/z	Relative Intensity
59.01246	0.2
63.13605	0.2
66.36228	0.2
69.56231	1.2
69.56649	0.5
74.02372	0.8
83.04961	0.2
87.25726	0.2
87.40408	0.3
93.03347	0.4
95.04928	2.5
98.20567	0.3
99.48055	0.2
99.92510	0.4
103.24125	0.2
105.03385	0.7
106.04162	0.8
108.02079	0.2
121.02905	0.3
123.04450	8.1
139.11206	0.3
141.07065	0.6
155.08638	0.9
165.12813	0.4
181.06630	0.5
182.07324	2.8
183.08131	100.0
183.13625	1.3
184.08472	10.6
199.07680	0.3
201.22195	0.2
209.11786	1.8
211.78694	0.2
226.61072	0.2
227.07156	55.6
227.12791	1.8
227.16560	0.9
227.20172	2.9
228.07489	6.5
228.09357	0.1
228.16412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12991	0.9
55.41237	0.8
59.01265	80.7
60.01587	1.1
61.64209	0.9
61.98697	0.9
69.03350	1.3
72.99192	9.5
83.04979	1.0
99.08046	2.6
110.63664	0.8
115.22646	0.8
137.02321	1.3
139.11252	10.9
140.11476	0.9
156.61705	0.9
167.10730	70.1
168.11090	6.3
183.12358	1.7
183.13870	17.4
183.85959	1.0
184.14124	1.4
185.11797	100.0
186.12109	6.4
209.11800	5.6
227.03455	1.5
227.07182	1.6
227.12866	8.9
227.16525	3.3
227.20160	7.3
230.55696	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66344	0.5
57.03335	1.4
59.01265	100.0
60.01602	2.2
70.86983	0.5
71.14498	1.4
81.03368	1.4
83.04929	0.7
95.04943	0.8
97.06484	6.4
98.06879	0.5
109.06474	0.5
125.30905	0.5
133.77434	0.5
135.08092	1.5
147.08138	3.0
151.11234	0.6
153.12825	0.5
163.11188	0.7
165.09138	1.9
181.12288	1.1
225.11331	27.2
226.11638	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	225.1498
Annotation	Annuionone E
Peak:m/z	Relative Intensity
56.30103	0.6
57.03343	0.8
58.07803	0.6
59.01268	5.9
60.88919	0.6
60.99186	1.4
61.98709	2.4
70.69935	1.7
71.01273	0.6
83.04917	1.5
93.03363	1.4
97.02811	0.9
109.06502	1.0
125.06003	0.7
137.02373	1.4
151.11206	0.9
153.12802	7.6
154.13245	1.0
155.55733	0.6
161.04614	0.7
163.11221	1.0
163.14905	1.9
163.60619	0.5
165.01884	1.0
169.12242	0.5
171.13852	2.3
172.44505	0.5
181.12332	1.7
181.15932	0.8
185.07065	0.6
189.12802	1.1
195.02971	1.4
195.13887	8.9
196.14223	0.8
197.11821	7.3
197.15421	4.2
198.07622	0.7
198.12135	1.0
207.10234	1.7
207.13898	23.7
208.14214	2.4
210.05327	1.1
225.11331	7.0
225.14975	100.0
226.11783	1.2
226.15311	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29728	0.8
55.01776	0.7
56.13813	0.9
57.03334	1.6
59.01262	20.2
62.36807	0.7
69.03329	1.6
71.01257	1.8
71.04897	1.0
73.02829	1.7
80.02556	2.5
81.03349	6.6
83.04922	5.8
84.02046	3.4
85.02831	0.9
93.03365	1.9
95.04927	1.8
97.02853	10.5
97.06501	1.4
99.00767	1.8
106.04150	1.3
107.04911	1.9
109.02871	1.7
109.06500	64.9
110.03660	4.7
110.06831	3.2
116.02462	0.8
121.06519	3.9
135.08070	8.7
136.05226	3.2
137.02347	1.4
142.02658	5.5
145.10138	1.0
151.11218	1.6
153.12799	10.0
161.09651	3.6
163.11230	37.5
164.11566	3.3
165.07596	1.2
165.09074	1.2
171.13832	2.0
181.12299	24.7
182.12685	2.4
189.09218	1.7
197.11816	6.2
207.10249	100.0
208.10577	8.6
225.11328	79.0
225.14795	1.3
226.11646	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	223.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51879	0.6
57.03330	0.9
57.60198	0.5
59.01268	8.2
61.98709	1.7
69.03345	5.4
70.13669	0.5
70.83370	1.6
71.01281	1.6
71.04900	1.6
73.70616	0.5
83.04916	1.0
83.16824	0.5
85.06478	1.1
90.15010	0.5
95.04889	0.9
101.02332	1.0
108.05682	0.8
109.06474	1.1
121.02937	0.6
123.08015	0.9
125.09667	0.5
135.13211	0.5
141.01616	1.2
149.09656	1.4
151.03868	0.6
161.13246	0.6
166.06303	0.8
167.10730	7.6
168.11064	0.5
168.79463	0.6
174.44226	0.6
176.83624	0.8
177.12816	1.1
179.10756	3.8
179.14363	8.7
195.13887	24.0
196.14285	1.7
205.12318	21.0
206.12624	1.6
208.03691	0.8
223.02792	1.1
223.06226	1.3
223.13402	100.0
224.13741	11.1
228.49258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11356	0.5
52.68343	0.6
52.75827	0.5
55.01741	0.6
57.03335	0.8
59.01270	4.3
61.98706	0.7
65.10041	0.6
66.92554	0.6
71.04906	0.7
71.57758	0.9
83.04922	1.1
85.02850	0.8
92.66518	0.5
93.03353	1.2
97.02858	9.4
97.06490	0.7
98.03186	0.6
99.00780	3.1
101.26255	0.6
106.04038	0.9
109.06508	7.0
110.03670	4.0
111.04476	0.7
116.10987	0.5
121.06488	0.6
125.09638	1.4
135.08116	1.5
136.05215	2.1
142.02660	4.5
153.12767	5.3
156.05542	0.6
161.09686	1.5
163.11246	12.0
164.11552	1.4
165.01904	0.8
171.13866	1.5
179.10771	1.5
181.12317	30.5
182.12621	2.5
185.29301	0.6
189.09302	0.6
195.03050	1.1
197.11821	4.4
198.07874	0.7
198.12245	0.7
199.06171	0.7
207.10255	65.6
208.10568	6.3
210.05257	1.3
225.11330	100.0
226.11644	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	221.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	28.9
59.49605	0.3
60.01587	0.7
69.61938	0.4
69.62340	1.9
71.01284	0.7
73.02840	1.0
74.50584	0.3
75.00776	0.4
83.01271	0.4
85.02823	0.6
87.00770	0.4
87.02630	2.4
92.86838	0.3
95.25438	0.3
101.02338	1.1
113.02343	0.5
126.91685	0.3
131.03438	0.4
131.05269	1.8
133.06860	100.0
134.07208	4.7
161.04517	2.3
164.88977	0.3
221.08533	25.2
221.11960	0.7
222.08943	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	221.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	29.5
59.23784	0.3
60.01605	0.5
61.98717	0.5
69.83801	2.4
71.01274	1.1
73.02837	1.0
74.04665	0.3
74.45430	0.3
74.53236	0.3
80.47751	0.4
85.02869	0.7
87.00784	0.9
87.02638	2.8
98.19812	0.7
101.02340	1.2
121.43961	0.4
131.03522	0.5
131.05286	1.4
133.06863	100.0
134.07214	4.9
161.04530	1.7
177.05492	0.5
190.99825	0.5
196.82407	0.4
203.07474	0.4
221.08543	20.9
222.08873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.4
58.17665	0.6
58.83490	0.6
59.01266	7.7
69.03346	7.0
70.33622	1.2
70.34010	1.6
70.74396	0.5
71.01262	0.8
71.04900	1.6
83.04920	1.7
85.06496	1.1
86.26868	0.7
93.03355	1.0
95.04910	1.2
97.02783	0.6
107.71823	0.6
108.05732	1.0
109.06489	1.6
111.08092	0.8
125.09655	0.8
149.09663	1.0
161.13297	1.0
166.06319	1.0
167.10748	8.0
168.11090	0.7
177.12819	1.8
179.10765	4.0
179.14365	9.3
180.11055	0.6
180.14598	1.0
182.31305	0.7
187.11183	0.6
193.01419	0.7
195.13890	24.7
196.14218	2.1
205.12326	22.6
206.12746	2.0
208.03770	2.1
223.02834	2.2
223.13399	100.0
224.13736	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	221.0819
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
51.12788	0.9
59.01266	100.0
60.01592	1.2
69.03343	31.2
70.03668	1.0
70.77940	1.0
70.78288	2.5
71.01278	1.9
71.04910	62.4
72.05233	2.2
73.02839	2.2
75.02284	1.8
85.02862	1.0
93.03350	1.7
101.02354	2.1
107.04933	2.7
113.02340	1.8
121.02872	30.7
122.03171	2.2
131.03406	1.8
133.02844	0.8
134.03673	10.5
147.00821	5.3
147.08080	2.7
149.09656	7.9
150.09918	0.9
161.04553	5.7
177.09155	12.3
190.99855	4.7
193.08720	1.2
206.05791	2.0
221.06146	1.2
221.08224	22.4
221.11821	1.6
221.15320	1.0
222.08496	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	219.0511
Annotation	(-)-threo-Iso(homo)2-citrate
Peak:m/z	Relative Intensity
55.01765	2.2
57.03329	3.7
58.83735	1.0
59.01267	17.3
67.01782	2.5
69.03352	9.1
70.13155	4.2
71.01280	9.4
72.99208	2.8
73.02831	5.6
81.03338	3.4
83.01295	4.8
83.04921	2.4
84.02041	2.3
85.02845	27.3
87.00774	100.0
88.01076	2.1
95.01266	1.7
95.57795	1.1
97.02853	17.4
98.20494	1.2
99.04440	1.5
101.02367	2.5
102.05528	1.8
104.15051	1.2
109.02871	4.2
111.00793	14.0
111.04423	4.8
113.02370	2.5
115.00297	2.0
115.06606	1.3
120.54264	1.1
121.02863	1.7
127.03933	2.1
127.38007	1.0
129.01849	10.6
131.03459	1.8
138.88251	1.3
139.00348	3.0
139.03960	1.4
141.01866	8.3
145.01346	1.7
146.04514	2.7
153.01909	1.2
157.01376	2.0
157.05008	3.1
192.63612	1.1
201.04068	9.4
214.51434	1.0
219.05115	69.9
220.05417	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	221.0458
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
53.47160	0.5
55.01771	9.8
59.01268	57.1
60.01609	0.6
69.60733	1.0
69.61144	2.4
71.01265	2.0
72.99181	0.5
73.02846	1.8
73.09959	0.4
74.02355	0.7
81.03416	0.6
85.02845	1.0
88.16531	0.7
89.02338	0.8
91.32854	0.6
93.03325	0.6
96.95940	0.6
98.19799	0.9
100.54171	0.4
101.02361	1.7
102.43835	0.4
113.02355	0.6
115.05446	0.9
125.02328	0.6
125.73322	0.4
130.06569	1.3
131.03418	0.9
131.04962	7.6
132.57370	0.5
133.06528	100.0
134.06863	7.1
139.05157	0.5
149.06114	0.8
151.07584	0.5
158.03679	0.7
159.04475	11.6
160.04811	0.9
161.04532	5.2
177.05542	5.5
190.99823	0.7
194.08273	1.0
203.03510	3.8
221.04596	9.8
221.06502	0.8
221.11856	1.9
221.15384	1.3
222.05000	1.3
222.07739	2.7
241.09421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87672	1.1
55.01759	3.3
57.03337	6.7
59.01268	42.5
67.01772	3.3
67.70908	1.0
68.99716	1.4
69.03342	13.0
70.31430	5.0
71.01274	13.3
72.99192	2.1
73.02828	3.7
77.80946	1.1
80.37148	1.0
81.03354	4.0
83.01274	4.5
83.04914	4.8
84.02059	1.5
85.00761	1.1
85.02850	26.5
87.00776	100.0
88.01114	2.5
88.01707	1.0
89.02312	1.6
93.03358	1.8
95.01273	1.3
95.04912	1.3
97.02862	17.7
98.20479	1.2
99.04433	1.9
101.02343	3.4
109.02893	3.0
111.00788	11.6
111.04407	4.4
113.02340	1.7
117.72512	1.1
121.02876	1.5
125.02370	2.1
127.03934	2.1
129.01851	14.1
131.03415	2.1
139.03903	1.6
141.01875	5.5
145.66463	1.1
150.11327	1.0
157.05032	1.9
171.58904	1.1
200.29636	1.1
201.04088	5.8
219.05115	47.5
219.17575	3.1
220.05382	2.8
220.14656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1081
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
55.92588	0.7
57.03333	4.9
57.22687	0.9
57.51168	0.6
59.01265	10.9
61.98725	1.3
65.01324	1.0
65.99734	1.0
71.01257	1.7
71.04893	1.8
71.57459	1.0
73.02805	1.3
75.00752	1.4
81.03336	1.1
83.02386	0.8
83.04911	7.3
84.03996	0.9
85.02826	2.0
87.00739	0.8
97.06474	0.9
99.00778	1.3
99.08028	1.0
109.06428	0.7
127.11190	11.7
128.11505	1.1
134.03577	1.0
135.08069	1.2
135.40503	0.7
137.09648	20.9
138.09985	1.8
147.04436	0.7
147.76225	0.7
148.05179	1.1
155.10712	43.6
156.11060	3.5
159.23666	0.7
163.05081	0.8
164.04556	0.8
171.10210	1.2
173.04639	1.2
173.11807	11.6
174.99144	1.2
181.08675	8.1
191.05713	0.8
197.08186	1.1
199.09727	60.6
200.10098	5.9
217.05153	1.6
217.10799	100.0
218.04720	1.1
218.11148	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	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01605	1.6
70.34297	0.7
70.34689	0.8
71.01276	0.3
85.17648	0.3
90.97033	1.0
99.09573	0.3
106.76109	0.3
118.96539	1.0
132.98125	2.5
173.05954	0.4
174.99216	29.1
175.99541	1.1
217.00304	29.2
217.04875	0.7
218.00624	1.7
218.04404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0507
Annotation	4-Methylumbelliferyl acetate
Peak:m/z	Relative Intensity
59.01270	2.7
65.01357	0.4
69.25594	0.3
69.25941	4.7
78.95795	5.7
78.96223	0.5
91.05454	0.4
96.96860	5.3
103.05438	0.9
105.03419	0.4
115.50020	0.4
119.04975	1.5
131.04964	1.5
132.02104	4.3
133.02890	3.2
145.02950	0.4
146.03661	0.6
147.04449	4.6
155.10789	0.5
158.03633	0.5
160.01588	5.0
161.34262	0.4
174.03200	1.7
175.03967	84.0
176.04309	5.9
217.05063	100.0
217.10789	1.7
218.05444	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	215.1653
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
52.05563	0.2
53.12202	0.2
56.04156	0.2
59.01262	0.4
69.28815	0.6
69.29237	1.5
71.01292	0.2
85.90075	0.2
95.11566	0.2
96.98905	0.2
122.59725	0.2
122.89334	0.3
141.78252	0.2
144.00862	1.5
153.12653	0.3
163.83687	0.2
167.14334	0.3
169.15936	4.5
170.16232	0.5
171.01904	0.4
197.15430	1.5
198.15657	0.2
213.14938	1.1
215.01007	12.7
215.16527	100.0
216.01324	1.4
216.16867	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	215.0926
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
54.92500	1.0
55.94775	1.0
59.01044	0.9
59.01267	9.7
59.27167	0.9
61.98729	9.3
65.01320	1.9
65.99741	2.9
71.01278	1.2
71.04868	1.1
71.57800	1.7
72.00787	3.4
74.02376	1.2
79.52158	0.9
81.49644	1.1
83.04889	1.1
89.02348	1.1
91.02908	1.1
95.23685	1.0
97.06425	1.1
106.04028	1.6
109.06460	1.5
111.04407	1.6
111.08064	1.9
120.05585	1.1
125.09644	5.9
127.11224	3.1
129.84918	0.9
143.10712	5.7
144.00853	9.8
145.01187	1.7
153.09167	10.2
154.08672	3.8
155.07088	10.0
165.96997	1.3
171.01926	1.4
171.10233	97.7
172.10661	8.2
173.04677	1.5
197.08189	1.7
197.11720	1.2
215.00999	64.7
215.09247	100.0
215.12759	3.9
215.99382	1.5
216.01277	6.9
216.09567	8.3
231.61662	1.1
239.77106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0925
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
54.52121	0.9
54.60646	0.9
57.03335	3.2
59.01268	10.1
61.33990	0.9
61.98722	7.7
65.01315	1.1
65.99719	1.5
71.01272	2.4
71.04911	5.5
71.57088	1.9
73.02851	1.3
75.00788	1.0
81.03365	1.6
83.04908	1.6
89.02328	1.9
97.06493	1.9
99.00777	4.3
99.04420	3.4
101.02353	15.2
103.89612	0.9
105.02174	0.9
107.02467	1.1
109.06500	2.8
111.27472	0.9
113.05987	8.5
119.03405	0.9
125.09679	1.3
128.07123	1.1
133.03949	1.2
135.08063	4.1
144.00848	14.7
153.09154	53.2
154.09537	4.8
169.08627	4.0
171.01892	2.8
171.10216	24.5
172.10655	1.3
173.04654	1.9
197.08151	8.3
198.74449	1.1
215.00986	100.0
215.07491	2.0
215.09233	52.5
215.12685	2.6
215.16487	1.1
216.01315	10.7
216.03113	1.6
216.09554	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	213.1495
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
52.16562	0.3
59.01266	0.6
66.14088	0.3
70.95834	0.3
70.96173	0.6
81.49865	0.3
91.09939	0.3
97.06450	0.4
120.06389	0.3
165.12779	0.6
183.13875	24.8
184.14218	2.3
195.13885	22.1
196.14221	1.9
211.13394	0.5
213.14954	100.0
214.15289	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
51.17432	0.3
53.77825	0.2
56.53613	0.2
58.32141	0.2
59.01266	0.7
59.06960	0.2
61.98717	0.4
62.50350	0.2
65.01328	0.7
65.67200	0.2
65.99761	0.2
71.59368	0.5
86.24385	0.2
91.67188	0.3
99.04440	0.2
105.04515	0.2
106.04017	0.5
128.15952	0.2
144.05592	0.4
145.05069	0.3
151.11227	0.5
157.05202	0.3
159.05554	0.3
162.02881	0.3
169.08774	0.3
171.06726	0.5
172.06279	0.4
177.05212	0.3
177.12762	0.4
183.13879	23.6
184.14197	2.4
186.06676	0.3
187.06224	0.9
195.13895	20.6
196.14236	2.1
203.46567	0.3
211.13393	0.7
213.14960	100.0
214.07327	0.6
214.15320	9.6
229.74498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.79330	0.4
57.03347	0.7
57.38860	0.4
58.88687	0.5
59.01289	1.4
61.98726	0.9
65.01358	1.2
65.25699	0.4
66.03378	0.4
69.90927	2.0
69.91344	0.9
83.04937	0.5
93.03397	0.8
97.06485	0.5
98.20537	0.6
106.04059	0.5
116.07114	1.2
124.07941	0.5
125.09623	0.6
130.04073	0.8
139.11351	0.4
144.05586	0.8
144.85403	0.5
145.05138	0.9
151.11224	14.8
152.11536	1.4
157.05101	0.5
163.34244	0.5
169.12296	100.0
170.12642	7.5
171.06677	1.1
172.05029	0.6
172.06253	0.7
183.13869	3.8
186.06587	0.6
187.06186	1.7
195.10199	2.1
195.13892	3.5
196.14035	0.5
213.01614	0.8
213.05612	0.8
213.07683	0.5
213.09497	0.7
213.11342	19.2
213.14923	20.7
213.18414	1.8
214.01492	0.8
214.07265	1.3
214.11606	1.7
214.15118	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09621	0.7
54.60291	0.8
57.03330	2.4
59.01267	8.3
69.03339	16.0
69.95174	3.6
70.03679	1.0
71.04913	2.5
71.91512	0.6
79.80219	0.7
80.02580	1.1
81.03349	1.0
83.04919	3.7
91.66171	0.6
93.03333	2.4
95.04898	2.4
97.06470	1.2
108.05709	1.5
111.08102	3.4
121.02876	20.9
121.10151	1.2
122.03177	0.9
124.03957	2.1
127.07552	0.8
135.08069	1.8
137.09634	0.8
144.10785	0.7
147.11728	2.1
151.61961	0.7
153.09154	5.3
163.11220	2.7
165.09126	1.5
165.12788	15.3
166.13148	0.9
173.09721	1.1
181.10800	1.3
181.12309	17.5
181.13939	1.1
182.12704	1.5
183.06822	1.2
191.10750	20.8
192.11107	1.5
209.04608	4.6
209.11812	100.0
210.12178	10.1
216.05099	0.7
221.92899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0248
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
56.62103	0.3
57.32722	0.2
59.01267	0.5
61.98718	0.7
63.02286	3.2
65.00211	17.7
65.01341	0.5
66.00567	0.3
71.01289	0.3
71.59216	0.2
71.59645	0.4
78.82195	0.2
83.01276	7.9
84.01611	0.2
86.88891	0.3
90.00879	0.3
94.48938	0.2
106.04035	0.4
107.01300	25.2
108.01624	1.1
114.78789	0.2
123.02674	0.4
125.02383	0.4
130.03969	0.3
131.03542	0.4
142.04071	0.3
151.00313	100.0
152.00653	5.6
153.05350	0.3
156.00703	0.2
157.05171	0.6
158.03578	0.2
169.01395	1.6
171.03062	0.3
178.99838	5.2
180.00142	0.4
183.02997	0.4
183.13858	0.3
185.04616	0.3
196.03728	0.5
200.83347	0.3
204.76564	0.2
210.06863	0.3
211.02475	18.3
211.05919	0.5
211.07611	1.1
211.09651	0.5
211.13393	1.9
212.02780	1.4
212.05734	0.6
212.09482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.19215	0.3
56.06621	0.3
59.01256	1.4
68.38393	0.3
69.03327	1.0
71.01276	0.3
83.04914	0.6
85.02837	0.6
93.74220	0.3
97.06503	0.5
98.19685	0.8
117.46816	0.4
117.65555	0.4
125.02355	0.6
139.00407	0.4
139.03886	0.3
140.48497	0.3
149.09657	0.4
165.12785	0.5
167.07236	0.4
167.10750	1.7
167.14317	1.7
181.01443	0.4
183.13879	13.1
184.14201	1.0
193.04982	0.4
193.12341	3.6
194.12657	0.5
196.03735	0.4
209.88531	0.4
211.06023	1.3
211.13394	100.0
212.13742	10.7
229.68597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	4.4
58.03635	0.5
59.01266	100.0
60.01603	2.2
80.02564	0.8
81.03363	1.0
82.47842	0.5
92.83556	0.6
97.06506	2.7
98.19732	0.9
109.06499	5.1
121.02872	5.8
139.11220	0.8
140.11620	0.5
153.86359	0.6
165.12802	5.1
191.14421	2.4
209.04543	0.9
209.11816	19.7
209.15266	1.3
210.12094	2.1
212.46739	0.5
229.51006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50214	0.5
55.01788	2.3
57.03340	2.6
59.01271	5.3
61.98712	2.3
62.95093	0.5
69.03362	0.8
70.65838	0.5
71.01290	1.5
71.56564	0.7
72.79160	0.5
80.02570	1.2
81.03365	4.5
83.01280	25.4
83.04931	3.3
84.01615	0.9
84.02073	1.2
85.02853	0.5
89.02380	0.5
92.99722	0.8
93.03378	2.0
94.02887	0.7
95.01318	1.1
95.04402	0.5
95.04935	2.0
95.87878	0.5
96.95937	0.6
97.02857	0.7
97.06503	4.4
99.00786	0.5
99.04379	0.4
106.04207	0.5
107.04912	0.7
108.02061	0.5
109.02837	0.9
109.06494	0.7
111.08044	0.5
118.94121	0.9
121.02876	72.2
122.03191	4.7
123.00820	0.6
123.04427	0.8
123.08065	1.6
124.03971	2.6
125.09648	22.7
126.09977	1.3
134.03610	0.8
135.04448	1.3
135.08109	1.9
136.01620	0.6
136.98677	0.6
137.02345	1.2
137.06056	0.7
143.43370	0.6
147.11748	0.7
151.03972	1.1
151.07579	0.5
161.02406	0.8
161.09779	0.6
163.11237	9.4
164.98279	0.7
165.01909	0.8
165.05492	1.1
165.09171	0.8
165.12814	3.5
167.10783	0.9
173.09825	0.7
176.51373	0.4
177.09164	0.5
178.99821	1.0
179.03456	2.3
181.05046	1.0
181.12318	2.1
186.51111	0.5
189.11270	0.5
191.10767	8.6
192.11113	0.7
194.02190	1.5
194.05855	2.1
209.00992	1.0
209.02716	0.9
209.04553	11.9
209.08289	3.3
209.11824	100.0
209.94849	1.3
210.04861	0.9
210.12166	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	209.082
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.44152	0.3
59.01246	1.0
65.99746	0.6
66.43037	0.4
67.71170	0.4
69.30634	1.6
69.31057	2.6
70.73116	0.4
88.95918	0.4
91.01816	0.8
93.03374	1.2
95.01273	1.1
95.04932	1.9
105.03371	8.1
107.04900	0.4
109.02802	0.6
117.00272	0.4
117.03384	0.4
121.02879	39.4
122.03208	2.3
123.00816	0.6
123.04456	1.4
124.03975	0.6
133.02870	4.0
135.04474	0.6
136.01598	0.8
147.04472	1.0
150.03159	0.7
151.03957	25.7
152.04312	1.8
161.02397	64.3
162.02730	4.9
165.05464	0.4
166.05101	0.4
176.04755	30.1
177.05058	2.6
179.03468	100.0
180.03799	8.5
182.04875	0.5
183.06667	0.4
191.07117	9.7
192.07393	0.7
193.05017	0.8
194.02246	2.1
194.05829	79.0
195.06177	7.6
209.04637	5.9
209.08195	25.8
209.11609	0.9
210.04939	0.7
210.08563	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22480	4.0
56.40295	3.9
59.01265	13.9
62.57189	4.4
64.48450	4.9
66.07256	4.6
70.66995	13.6
77.12093	4.8
78.95798	98.9
85.02850	7.5
89.02361	6.6
96.96868	91.1
97.71288	4.2
121.02866	24.9
124.03977	5.0
166.05092	6.3
188.13524	6.5
209.05913	100.0
209.11882	11.0
210.06065	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0665
Annotation	beta-D-Sedoheptulopyranose
Peak:m/z	Relative Intensity
55.01778	3.5
57.03339	25.4
58.00501	2.3
59.01261	39.3
59.39650	1.3
66.67137	1.3
69.03339	1.7
71.01273	20.1
71.40449	1.4
71.61423	2.2
72.99185	3.8
73.02831	3.1
74.98992	1.5
78.95788	4.6
80.96419	4.8
81.50896	1.3
83.01276	11.6
84.02053	8.0
85.02845	57.9
87.00774	96.7
87.04420	1.6
88.01097	1.9
89.02324	16.3
93.03380	1.6
96.96889	2.3
97.02857	1.4
99.00774	14.9
101.02367	5.0
111.00786	6.0
112.98717	7.2
115.03908	7.8
121.03069	4.4
124.98740	2.3
129.01866	54.7
131.03438	2.6
142.99808	35.6
159.02962	11.1
166.05017	1.8
173.00858	12.4
191.01979	1.9
191.05600	3.9
194.05838	3.4
203.17494	1.5
209.06667	100.0
210.07048	5.6
226.31970	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.9
69.38383	1.5
69.38785	4.8
71.01276	2.2
72.99189	2.1
73.02825	2.2
87.00781	0.9
91.05426	100.0
92.05765	6.1
93.03353	2.2
96.95911	0.7
117.01846	1.8
117.03362	3.7
119.04929	3.7
120.02149	0.8
121.02869	22.6
122.03195	1.0
135.04446	11.4
147.04445	16.8
148.04825	1.6
163.03954	13.3
163.07590	2.3
164.04274	1.0
165.05518	23.3
166.05846	1.8
176.04659	0.9
179.03496	1.3
191.07100	3.2
191.95320	0.8
194.05878	0.8
209.04562	3.8
209.08180	79.6
210.08534	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Cladobotrin IV
Peak:m/z	Relative Intensity
56.05210	0.2
57.03319	0.3
59.01268	2.3
60.94474	0.2
61.98705	0.5
63.50205	0.2
64.92594	0.2
65.00209	1.5
66.03336	0.2
68.99712	0.3
69.03347	0.4
71.01260	0.5
71.38400	0.3
71.38730	0.4
72.99187	0.3
74.44609	0.2
81.03324	0.3
83.01312	0.3
83.04941	0.4
85.02843	0.4
89.00247	0.4
89.02333	0.3
91.01820	0.4
93.03348	0.6
94.02883	0.5
95.01310	0.7
96.95933	0.4
97.02853	1.3
101.51357	0.2
111.04430	6.8
112.04771	0.4
118.94150	0.5
121.02876	30.9
122.02402	0.3
122.03199	2.0
123.00792	1.0
123.04442	0.4
124.01585	15.3
124.03971	1.7
125.01950	0.6
135.04413	0.4
136.01593	0.3
137.02390	0.7
137.05962	0.3
138.03136	0.4
139.00284	0.3
139.03943	2.9
149.06110	0.4
149.99635	0.4
151.00296	0.3
151.03960	0.4
152.01094	52.9
153.01442	3.0
161.02371	1.3
164.94083	0.2
165.01909	3.9
165.05544	0.4
165.09148	0.6
165.12816	0.4
166.02679	1.6
166.06310	0.6
176.04747	2.9
177.05515	1.1
178.99768	0.2
179.03474	3.0
179.04910	0.3
181.05063	0.3
184.00087	0.3
187.53271	0.3
191.07118	1.1
194.02167	0.8
194.05824	35.4
195.06145	3.1
209.04625	5.4
209.08186	100.0
209.11731	3.5
210.04909	0.8
210.08527	10.1
210.11899	0.4
226.04851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81057	0.7
55.32590	0.7
57.03335	1.8
57.80762	0.7
59.01266	26.7
61.98720	4.7
66.03368	1.0
69.03368	0.8
69.51504	7.3
71.01274	3.6
75.00761	2.6
84.10875	0.8
85.02847	1.7
87.00787	1.1
91.01766	1.8
93.03369	1.1
95.04935	2.2
99.00741	0.9
101.02370	1.2
107.04902	0.9
109.06516	1.0
111.88074	0.6
117.01811	1.1
119.08619	1.1
121.02885	1.6
121.06512	1.5
123.04447	2.3
129.01878	5.2
133.06525	2.8
135.00792	1.1
135.04471	2.0
135.08134	1.0
137.09657	100.0
138.07512	0.9
138.09991	6.5
147.02898	4.4
149.02364	3.5
149.09668	32.5
150.10001	2.6
163.00359	1.5
163.03947	1.1
163.11206	1.1
164.89505	1.5
165.12784	0.9
166.17976	0.9
177.01897	20.9
178.02257	2.0
179.03471	0.9
189.12801	3.3
191.10762	7.5
192.00595	1.7
192.04279	20.4
192.11150	1.0
193.04536	1.7
205.15956	4.0
207.02982	3.6
207.06691	7.3
207.08554	1.3
207.10397	2.1
207.13901	45.0
207.17520	26.5
208.06934	1.4
208.14278	6.1
208.17934	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	207.0509
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
57.74033	0.8
58.00489	4.7
59.01260	26.1
68.78407	1.0
69.61745	3.6
69.62157	3.0
71.01270	8.2
72.99197	7.1
73.02832	6.2
78.95796	24.4
83.01287	4.3
85.02837	2.5
89.02350	7.3
96.96860	22.7
99.00762	3.8
101.02322	1.6
101.99487	1.5
103.80771	0.9
106.06782	0.8
113.02346	4.9
117.01850	100.0
118.02185	4.0
121.05106	1.5
129.01874	1.7
133.01387	3.0
145.06563	0.9
157.01422	0.9
164.05727	2.8
175.50011	0.9
189.03937	2.6
192.04242	1.7
207.04231	11.9
208.04796	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92558	0.5
57.03287	0.6
58.02845	0.7
59.01267	19.3
65.01314	0.9
65.99709	0.8
68.01299	0.6
71.01254	1.0
71.56949	1.0
72.99158	0.6
73.02813	0.8
75.00747	2.0
83.02401	0.9
85.02843	1.2
89.02314	0.5
91.01790	1.1
91.02924	3.4
93.03360	3.0
94.02823	0.5
95.04931	2.6
97.03992	1.0
105.03329	0.6
106.02700	0.6
109.03973	1.1
110.02372	0.7
111.01855	0.7
112.33001	0.5
117.01842	2.1
121.02853	5.8
121.03970	1.1
123.04446	6.5
124.61633	0.5
129.01840	3.6
134.03584	0.6
135.04448	0.8
136.01588	1.0
136.05110	0.7
137.03485	0.8
142.69615	0.5
147.02907	1.8
147.04506	1.3
148.05051	0.7
149.02382	17.8
149.03551	1.3
150.02776	1.0
163.00285	1.1
163.03951	2.0
163.07585	1.5
163.11215	0.7
164.01106	0.6
164.04623	0.8
177.01901	100.0
178.02252	7.7
181.05162	0.9
191.03552	2.7
192.04269	97.0
193.04648	6.9
207.02974	2.4
207.06647	27.4
207.10378	1.2
208.02422	0.7
208.06995	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	207.0429
Annotation	1-Naphthaleneacetic acid sodium salt
Peak:m/z	Relative Intensity
57.02387	0.3
59.01266	9.4
63.55773	0.4
70.87197	0.4
70.87534	0.8
71.01271	1.3
75.00755	1.4
78.95795	100.0
82.79613	0.3
85.02841	0.5
87.00756	0.4
91.59019	0.3
93.03335	0.5
96.96864	72.3
99.00755	0.5
102.67973	0.4
117.01844	2.8
117.08564	0.3
129.01845	1.2
135.04478	0.4
147.02905	1.4
149.02367	0.8
163.00342	0.6
163.03949	0.4
177.01903	5.2
182.33847	0.4
189.88545	0.3
192.04263	4.6
207.04269	39.3
207.06502	1.5
207.10233	0.8
208.04640	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	207.0427
Annotation	1-Naphthaleneacetic acid sodium salt
Peak:m/z	Relative Intensity
58.73539	0.2
59.01265	0.9
62.96291	0.4
63.78683	0.2
70.17027	0.9
70.17391	0.3
78.95795	100.0
86.43471	0.2
90.34329	0.2
91.01843	0.2
96.96864	87.5
104.19108	0.2
109.05337	0.2
109.44446	0.2
117.01871	0.2
121.73476	0.2
135.04391	0.2
149.02385	0.5
154.81920	0.2
163.00313	0.2
167.84511	0.2
177.01912	1.9
192.04286	1.5
207.04272	40.1
208.04572	2.6
208.06421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1596
Annotation	beta-Irone
Peak:m/z	Relative Intensity
59.01254	0.7
60.94461	0.1
69.46114	1.4
71.96439	0.2
85.02851	0.3
129.45874	0.1
147.06778	0.2
161.02347	0.2
188.28217	0.2
189.12791	1.4
205.15962	100.0
206.16306	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	206.0822
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
57.03311	1.6
58.02863	56.1
59.01269	22.5
65.01319	1.7
68.09981	1.0
69.79877	6.0
70.02874	11.2
71.01260	3.3
72.00808	5.0
75.00758	3.0
78.26746	1.1
78.95789	3.5
79.64331	0.9
83.02396	1.3
85.02871	1.4
91.02871	1.2
91.05422	5.2
93.03329	1.2
96.96857	2.9
99.00778	1.3
101.02351	1.1
108.02011	1.3
117.01865	2.5
119.02378	1.3
121.02856	2.1
122.03494	1.3
129.01886	2.9
135.04466	2.7
147.02998	3.0
147.04459	32.1
148.04926	1.9
149.02400	2.5
151.00328	1.3
162.09360	1.1
163.00296	1.2
164.07120	100.0
165.04172	1.2
165.07460	6.7
177.01872	17.4
177.03294	1.5
192.00655	2.0
192.04248	14.6
206.08212	44.2
206.99359	1.9
207.02898	2.4
207.06622	4.6
207.08565	5.7
207.10257	2.0
207.13765	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40792	0.5
51.76009	0.5
58.02859	34.6
59.01264	12.9
63.02315	0.7
70.02864	13.5
70.63517	1.7
71.01276	1.0
72.00790	6.1
72.99199	0.7
74.53828	0.6
75.00771	1.8
85.02834	0.7
87.00795	0.7
87.77759	0.5
91.05434	6.1
92.05762	0.6
93.03316	0.7
96.95947	0.7
97.93589	0.6
98.44075	0.6
99.57217	0.6
107.01304	1.2
109.04006	0.7
109.35461	0.5
110.02464	0.6
117.01851	1.6
119.01269	0.6
119.04948	1.0
121.03994	0.8
129.01846	2.8
135.00775	0.8
135.04494	2.8
137.03520	0.7
147.03076	1.4
147.04453	36.0
148.04773	2.7
149.02422	1.6
151.00333	1.7
162.09175	1.6
163.00302	0.8
163.03951	1.1
164.07117	100.0
165.07495	7.0
168.63387	0.7
177.01894	8.1
178.99770	1.4
192.04227	8.1
197.86465	0.6
206.04901	1.1
206.08205	45.0
206.16383	0.8
206.99339	3.4
207.03024	1.0
207.06610	3.5
207.08559	4.5
207.10220	1.0
209.85727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76805	1.8
55.01768	9.3
57.03343	8.6
58.00491	2.2
58.02869	11.9
59.01266	72.3
60.99192	2.0
67.01778	7.6
68.99706	9.4
69.03342	7.9
71.01270	89.3
71.04926	6.8
71.58218	2.9
72.99197	58.4
73.02843	17.0
75.00767	43.6
78.95821	2.0
81.03364	3.8
83.01280	18.4
84.99198	2.4
85.02842	18.8
87.00774	70.4
88.98731	4.2
89.02345	7.8
91.21251	1.7
95.01286	2.1
96.99216	7.4
97.02855	5.2
99.00785	35.0
99.04414	15.2
100.98713	5.2
101.02345	20.5
101.04302	1.9
103.00280	9.7
105.01828	3.4
111.00794	69.7
112.01138	2.7
112.98729	21.0
113.02309	4.0
115.00289	100.0
115.03905	2.8
116.00623	2.2
117.01844	18.7
118.03248	10.7
118.98003	4.9
124.98751	15.6
125.02365	66.3
127.00304	9.4
129.01863	22.9
130.99799	20.6
131.03482	3.0
133.01385	3.0
141.07480	3.0
142.99796	28.2
143.03392	11.0
143.07066	2.5
144.00578	6.0
145.01363	34.0
154.99815	19.1
157.01376	22.0
159.08514	7.3
169.01405	3.4
173.00847	12.9
173.36386	2.0
175.02467	11.1
187.02423	13.4
187.06117	3.6
187.08006	2.8
205.03725	16.7
205.07161	7.9
205.09102	20.4
206.04298	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	205.0352
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
53.30207	2.2
55.01764	8.5
57.03332	4.5
58.00471	5.7
59.01266	100.0
60.99188	2.8
67.01785	4.0
68.99699	10.3
71.01268	94.7
71.15582	5.2
72.99197	54.1
73.02835	11.8
75.00771	40.1
83.01283	15.3
85.02856	14.6
86.17445	2.4
87.00235	2.9
87.00767	57.0
89.02330	7.4
96.99212	8.4
97.02847	4.2
98.20397	2.8
99.00777	45.2
100.98692	4.5
101.02346	9.6
103.00256	9.1
111.00787	28.6
112.98701	11.9
115.00283	98.7
116.00590	3.7
117.01841	18.0
124.98716	13.1
125.02335	6.9
127.00287	8.6
129.01866	20.7
130.99782	9.4
133.01302	3.1
142.99796	19.5
143.03465	3.0
145.01396	22.1
154.99800	19.8
157.01328	4.9
173.00850	8.7
175.02406	6.6
200.50693	2.2
205.03484	8.2
205.07066	3.6
205.16022	3.5
206.04297	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60386	1.7
55.01768	6.0
57.03331	3.9
58.00478	3.1
59.01265	74.2
60.01638	1.5
68.99715	9.9
70.53812	6.2
71.01273	91.4
72.99200	47.0
73.02840	11.1
75.00769	39.0
83.01283	13.9
84.99232	2.3
85.02831	10.1
86.94920	1.6
87.00774	52.5
88.98691	3.0
89.01823	2.1
89.02341	5.2
96.99187	5.4
98.00004	2.5
99.00781	44.3
99.80716	1.9
100.98698	1.6
101.02355	7.3
103.00327	8.2
111.00792	19.3
112.98717	12.6
115.00288	100.0
116.00605	4.0
117.01848	14.7
124.98720	15.4
125.02364	2.9
127.00296	13.4
129.01875	18.2
130.99782	12.9
133.01350	3.5
142.99794	23.1
144.00499	2.6
144.91685	1.8
145.01364	27.9
154.99826	15.7
157.01392	5.1
161.06007	2.2
172.84256	1.9
173.00862	7.6
175.02458	13.0
205.03511	6.5
205.05205	2.9
205.08728	3.4
205.15997	13.0
206.04272	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	6.1
57.03340	6.0
58.00458	2.8
58.02844	2.6
59.01266	74.8
60.99178	3.2
67.01768	4.1
68.99702	12.3
69.03345	2.7
70.01684	1.4
71.01273	85.9
72.01572	1.7
72.99200	48.1
73.02840	15.8
75.00766	40.6
83.01289	12.7
84.99211	3.7
85.02848	7.0
87.00776	56.9
88.98705	1.6
89.02351	6.6
94.52592	1.5
96.99223	6.3
97.02872	4.8
98.20637	2.0
99.00785	43.9
99.04418	5.9
101.02354	13.3
103.00284	11.2
111.00797	46.0
112.98711	21.3
115.00288	100.0
117.01866	13.1
124.98725	12.9
125.02364	21.9
127.00294	10.3
129.01883	18.0
130.99792	13.8
133.01411	2.0
133.02946	1.9
142.99800	26.7
143.03413	3.6
143.07080	2.5
144.00548	6.1
145.01369	30.4
154.99789	16.4
157.01366	8.4
169.01402	1.8
173.00877	7.3
175.02449	11.1
187.02560	2.9
204.98174	1.9
205.03549	9.3
205.07104	3.8
205.08905	3.6
206.04292	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	205.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97927	0.7
57.08224	0.2
58.02868	0.3
59.01265	4.7
62.01513	1.4
63.02284	100.0
64.02618	3.6
64.46748	0.2
71.01266	1.6
71.53690	0.3
72.99195	0.7
75.00767	0.6
83.01249	0.3
85.02839	1.0
87.00778	0.7
88.35031	0.2
93.03397	0.3
99.00786	0.5
106.04154	0.6
115.00277	1.2
117.03403	0.3
121.05125	1.7
129.01868	0.4
133.02876	0.3
133.06485	0.4
142.99910	0.4
145.01126	1.5
146.01865	0.4
146.03636	0.3
147.02689	0.3
154.99799	0.3
161.02390	0.6
161.06010	0.7
161.09680	1.0
161.32469	0.2
162.89320	0.3
163.06282	0.3
164.07051	0.5
165.00084	0.3
173.00633	1.4
175.00259	0.3
190.02740	0.5
205.01520	0.6
205.03284	15.6
205.05003	1.1
205.08583	1.3
205.12361	0.7
205.15965	3.3
206.03577	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1287
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
59.01273	1.2
62.65411	0.2
65.01341	0.3
71.54770	0.2
71.59608	0.4
72.99196	0.3
78.95799	1.4
83.04926	0.3
93.51540	0.3
96.21001	0.3
96.96874	1.5
99.08025	0.4
124.50309	0.2
125.09620	0.6
127.11218	11.6
128.11559	0.8
134.03491	0.3
139.11241	0.7
142.12901	0.2
155.10712	6.6
156.11082	0.6
157.12292	44.9
158.12642	3.6
176.04663	0.3
185.11812	0.9
201.11351	0.5
203.12878	100.0
204.04305	0.8
204.13220	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	203.1077
Annotation	3-PRENYL-4-HYDROXYACETOPHENONE
Peak:m/z	Relative Intensity
59.01260	4.4
61.98710	0.5
65.01338	0.3
65.99735	0.4
70.44331	0.8
70.44680	0.3
71.01259	0.7
77.76049	0.2
82.04005	0.4
85.02841	0.3
86.22102	0.2
95.01305	0.3
97.02851	0.5
103.91940	0.3
106.04100	0.4
113.02383	0.3
131.05006	0.3
134.03540	0.4
148.05235	37.9
149.05577	2.5
161.09612	0.3
175.04056	0.3
180.04243	59.0
181.04587	4.2
188.08372	0.9
203.10757	100.0
204.11090	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	203.1077
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
55.48664	0.2
56.13288	0.2
57.03317	0.2
59.01265	11.6
60.01596	0.2
61.98724	2.1
69.03340	0.4
71.01260	0.5
71.50528	0.4
73.02840	0.4
75.56786	0.2
83.01279	0.2
83.05934	0.3
85.02848	0.4
87.00800	0.3
87.04433	0.3
94.99225	0.2
97.02872	0.6
97.13405	0.2
99.04448	0.2
100.92506	0.4
103.91940	0.8
104.97631	1.4
113.02372	0.6
119.04926	0.4
121.02876	0.5
130.94289	0.3
131.04942	0.3
132.98207	0.3
140.98198	0.2
142.93591	0.3
147.04369	0.3
148.05241	34.2
149.05560	2.4
159.04483	0.5
159.07964	0.2
160.89236	0.7
161.01241	0.3
161.04459	0.3
161.09673	0.3
174.99181	0.6
175.03931	0.4
180.04243	61.5
181.04570	4.7
188.08429	0.6
202.75549	0.3
202.90221	0.3
202.92552	0.3
202.94127	1.3
203.10759	100.0
204.02956	0.5
204.06732	0.4
204.11113	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	203.0826
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
50.51191	1.8
52.40933	1.7
57.05237	1.9
57.80072	1.7
59.01263	34.0
71.01274	5.6
71.46063	3.4
72.00798	24.3
72.13528	1.8
73.02837	2.3
74.02367	39.1
74.10677	1.8
74.98524	1.8
75.00784	3.3
75.58613	1.9
85.02852	2.8
97.82112	1.8
99.03236	2.2
101.61946	1.7
107.49934	1.8
112.98748	2.1
113.02351	2.8
116.04980	100.0
117.05311	6.3
120.27167	1.9
130.06525	3.7
131.03609	2.2
131.04875	2.3
132.08023	1.8
142.06583	29.4
159.09204	14.6
161.04752	3.1
181.01785	1.9
186.05641	2.8
203.03571	4.6
203.05428	2.9
203.08298	58.1
203.10370	3.8
203.10782	2.7
204.02856	2.2
204.08559	4.8
213.07172	1.8
215.63902	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	203.0712
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
59.01267	19.2
61.98713	2.0
69.48020	4.5
69.48425	2.1
71.01270	3.0
73.02827	1.6
85.02829	1.4
97.02855	1.5
97.06514	0.9
97.71471	0.9
98.20591	1.5
100.48642	0.9
103.91956	1.4
119.04939	1.4
128.16373	0.8
143.04961	100.0
144.05257	8.6
147.04297	0.8
158.03662	2.4
159.04402	1.5
159.08047	2.2
175.03909	1.4
175.07605	1.6
176.04729	2.5
188.04802	1.5
203.01939	2.0
203.03474	2.7
203.07124	67.1
203.14441	1.4
204.03009	1.4
204.07433	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	203.0197
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
57.03333	4.1
57.09944	1.1
58.02870	1.8
59.01270	12.6
60.99182	2.1
67.01767	1.5
69.03343	61.4
70.03667	2.1
70.84132	1.4
70.84468	2.3
71.01272	45.1
72.01584	1.2
72.99198	8.7
74.02348	2.4
75.00761	4.5
78.95839	1.3
79.01793	7.4
83.01283	2.5
85.02848	11.4
86.31420	1.2
87.00768	13.2
88.03919	2.3
95.01277	6.3
96.24255	1.4
97.02853	85.6
98.03181	4.4
99.00780	3.4
101.02370	1.3
104.99313	1.1
105.01838	2.3
111.00799	3.4
113.02326	2.7
115.00301	10.4
115.03887	1.3
116.07069	1.2
117.01855	1.9
123.00797	2.0
129.01859	5.2
131.03477	1.3
132.06496	2.4
141.01881	19.3
141.05550	1.4
158.08099	1.9
159.02965	2.0
161.08098	1.5
203.01958	100.0
204.02391	7.2
204.08722	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	203.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02272	0.6
55.01764	1.2
57.03335	3.7
58.00494	0.2
59.01267	1.6
60.99195	2.6
64.77679	0.2
65.00203	0.3
67.01777	2.4
68.99716	0.3
69.03343	79.8
70.03681	2.9
71.01270	61.8
72.01603	1.6
72.99196	8.8
73.02845	0.8
75.00764	5.4
78.27410	0.2
78.95807	1.0
79.01786	8.9
80.02134	0.4
83.01282	2.9
85.02846	10.1
87.00774	14.4
95.01288	12.1
96.01640	0.8
96.96857	0.8
97.02852	98.1
98.03194	3.9
99.00789	2.3
101.02365	0.7
111.00789	4.1
113.02361	2.7
114.99475	0.5
115.00285	9.8
115.03915	1.1
116.00623	0.5
117.01839	0.4
123.00807	5.6
129.01871	5.4
131.03416	0.5
137.20717	0.2
138.21065	0.2
141.01866	23.1
142.02187	1.3
159.02971	2.3
160.23878	0.2
185.00861	1.0
185.97849	0.2
203.01953	100.0
204.02313	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	203.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.7
57.03335	2.0
58.02854	1.1
59.01265	5.6
60.99192	2.4
67.01764	0.6
69.03346	55.7
69.86417	2.7
69.98552	0.4
70.03674	1.8
71.01273	32.7
72.01598	0.9
72.25202	0.5
72.99203	6.9
73.02852	0.6
75.00760	4.4
79.01777	2.5
83.01278	2.5
85.02840	7.7
87.00774	11.3
95.01284	7.2
97.02856	78.0
98.03193	2.5
99.00796	2.9
100.03950	0.6
100.98768	0.5
101.02381	0.8
111.00771	3.2
113.02381	2.7
115.00290	8.0
115.03953	0.9
116.07101	0.6
117.01846	0.6
119.54591	0.4
123.00807	3.3
129.01874	3.4
131.03412	0.5
136.42711	0.5
140.07130	0.7
141.01872	21.9
142.02187	0.8
145.01265	0.5
158.08165	1.6
159.01831	0.5
159.02908	2.5
173.09190	0.5
175.03952	0.7
184.41139	0.4
185.00967	1.0
202.40297	0.5
203.01959	100.0
203.12698	0.7
204.02339	6.0
204.08778	4.8
205.75873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
59.27265	0.8
60.01593	5.0
61.01683	1.0
61.98706	1.8
65.01326	2.4
65.99738	1.2
71.01278	1.5
71.58056	1.4
81.03371	1.2
82.04022	1.5
88.10670	0.8
92.02437	0.8
96.95941	1.2
98.96140	0.8
99.92480	54.5
100.92519	4.2
103.91925	14.1
104.97661	2.6
106.03988	2.0
106.94267	1.2
115.92026	1.1
116.92783	3.6
117.92753	0.9
119.04943	1.1
120.05615	1.3
120.93738	1.1
121.02847	5.5
121.05118	1.6
130.94301	6.6
131.04944	1.9
132.05598	1.6
133.04088	1.2
133.05075	1.4
134.03554	1.5
141.93570	63.7
142.93550	5.3
148.95370	7.5
158.03618	1.2
159.04437	0.9
159.06673	1.8
159.89308	6.1
160.01538	1.0
160.89275	5.6
161.04582	1.8
175.03929	1.0
175.06241	3.1
176.04597	0.8
201.90446	1.2
201.95819	5.5
202.02724	2.8
202.07274	1.7
202.90253	1.0
202.94319	4.1
202.95711	0.9
203.03641	1.6
203.07265	1.2
203.10851	1.3
213.63824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.02622	0.4
53.50515	0.4
56.95137	0.4
57.03334	6.1
58.02867	0.6
59.01267	11.2
59.24910	0.4
59.41733	0.4
65.01328	1.6
65.99754	0.7
66.00867	0.5
67.02947	0.5
69.03347	1.7
71.01282	0.6
71.04915	0.5
71.57030	0.6
73.02840	0.4
77.03869	0.8
81.03364	0.6
82.03976	1.1
83.04910	0.6
85.02843	0.7
93.03359	0.6
93.04562	0.5
97.02868	1.7
99.00789	0.7
99.92488	1.0
105.04475	0.5
106.04063	1.0
109.02869	1.1
109.04021	0.5
111.00794	0.8
111.08066	4.6
115.95955	0.4
116.02471	0.5
119.02423	0.8
121.02847	0.7
121.05140	0.7
122.03469	0.5
127.11292	0.5
130.04018	0.8
132.05608	2.0
133.04010	1.4
133.05095	0.7
134.03525	0.7
137.09657	2.0
139.11221	80.0
139.38132	0.4
140.10521	0.7
140.11546	5.7
141.01819	0.5
141.93544	0.7
145.02953	0.5
147.03085	0.5
147.05588	0.5
147.06683	0.4
148.05112	0.7
157.12283	1.7
158.03613	0.8
158.89325	0.5
159.03029	1.0
159.06737	0.8
160.05077	1.2
173.06023	1.7
174.06630	1.3
175.06229	2.2
183.10229	32.1
184.10559	2.7
200.90887	0.4
201.02066	1.5
201.04022	2.8
201.05598	4.2
201.11304	100.0
202.07498	0.6
202.11662	8.7
204.98447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1131
Annotation	AN 11
Peak:m/z	Relative Intensity
57.03321	6.5
59.01264	11.7
59.22857	1.3
60.15707	1.2
61.98692	1.6
65.01325	2.9
65.99722	2.5
68.01305	1.3
69.03345	22.3
71.01266	2.3
71.04898	5.6
73.02821	2.2
83.04891	1.2
85.02837	2.3
85.06475	4.3
87.04422	8.2
89.01331	1.2
97.02856	1.7
105.04493	2.9
106.04066	1.7
107.02405	1.6
111.08035	1.2
113.05994	90.6
114.06332	5.3
115.03923	1.4
119.02416	1.6
121.05099	1.3
121.10172	1.6
127.11166	1.7
129.05498	9.6
130.04010	2.1
132.05630	2.2
133.03999	2.2
137.21619	1.1
139.11230	6.6
147.05513	1.3
148.05119	2.0
159.06656	1.6
159.89374	1.4
174.06650	2.8
175.06206	1.8
183.10243	4.1
199.33824	1.3
201.02139	1.8
201.04037	5.4
201.05708	2.6
201.11305	100.0
202.07433	1.5
202.11714	10.3
205.26404	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.79589	0.2
52.58137	0.2
55.01764	0.3
57.03336	2.1
58.02855	0.2
59.01266	5.6
61.98726	0.3
65.01334	0.8
65.99741	0.7
66.00865	0.3
67.01790	0.2
67.02874	0.3
68.99671	0.2
69.03340	2.7
70.98390	0.2
71.01273	0.5
71.04907	0.9
71.55100	0.3
72.99200	30.7
73.02844	0.4
73.99548	0.4
73.99989	0.2
81.03331	0.3
81.04453	0.2
82.04011	0.3
83.01317	0.3
83.04908	1.3
85.02850	0.8
85.06501	1.2
87.04404	0.4
89.29200	0.2
91.02946	0.4
92.02431	0.3
97.02859	0.5
97.06483	0.4
99.00773	0.3
105.04496	0.3
106.04037	0.7
107.02420	0.3
107.04911	0.2
107.08573	3.6
108.08884	0.3
109.03959	0.4
109.06517	0.5
111.00813	0.3
111.04425	1.0
111.08074	0.5
113.06026	0.5
116.02477	0.3
117.03390	0.2
119.02422	0.2
121.04047	0.2
121.05130	0.2
121.10175	1.3
123.08098	0.4
125.09651	4.1
127.03919	0.2
127.11224	1.4
130.04034	0.3
132.05627	0.6
133.04007	0.9
133.05031	0.3
134.03551	0.5
135.08098	0.7
136.04988	0.3
137.09659	1.5
139.11217	3.4
140.11594	0.4
141.01889	0.4
146.03497	0.3
147.01958	0.2
147.05600	0.2
147.07983	0.3
148.05113	0.5
155.10715	9.4
156.11029	0.7
157.12294	0.6
158.03531	0.3
159.02951	0.6
159.06633	0.5
160.05072	0.3
165.09161	0.7
173.04613	0.3
174.03044	0.5
174.06694	0.8
175.06245	1.2
183.10234	40.2
184.10583	3.1
199.09732	0.5
201.04030	1.5
201.11305	100.0
202.07559	0.3
202.11647	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	201.1131
Annotation	AN 11
Peak:m/z	Relative Intensity
50.46917	0.5
57.03340	5.1
59.01266	9.5
61.98712	0.9
65.01324	0.9
65.99734	0.8
67.20892	0.4
69.03344	21.3
69.41830	3.5
69.83546	0.4
70.03685	0.4
71.04906	4.6
73.02862	0.6
75.00773	0.8
78.77805	0.5
83.04929	0.6
85.02862	1.3
85.06485	1.9
87.04413	6.9
88.88436	0.4
91.02881	0.6
92.18684	0.4
95.04919	0.8
98.19833	0.8
99.00796	0.8
99.92490	0.6
100.27792	0.5
100.87267	0.4
106.04057	0.8
109.06485	0.6
110.73207	0.5
111.04422	1.1
111.08055	1.4
113.05997	100.0
114.06335	4.4
115.03897	1.1
119.02455	0.5
120.09248	0.5
123.08050	0.6
125.09619	0.7
129.05499	9.3
132.05568	1.1
133.05077	0.6
139.11230	5.3
155.10696	1.1
159.02995	0.9
159.04259	0.4
160.05099	0.8
173.06079	1.1
174.03030	0.6
174.06665	1.0
175.06255	1.0
183.10190	3.7
184.10655	0.5
201.04037	2.8
201.05638	1.4
201.11307	96.2
202.04950	0.5
202.11670	7.6
223.54359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	86.1
60.01598	1.3
71.06890	0.5
71.07233	1.0
97.04924	0.5
111.08062	0.7
113.09636	27.8
114.10008	1.3
132.05670	0.5
139.11217	0.5
141.09143	16.9
142.09460	1.1
157.08702	1.1
159.10219	100.0
160.10561	6.1
174.06734	0.5
201.04048	1.2
201.05675	0.7
201.07672	0.6
201.11324	2.4
201.12987	0.7
201.14987	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0403
Annotation	Succinylacetoacetate
Peak:m/z	Relative Intensity
51.02276	9.5
54.60199	1.3
55.01763	2.8
58.00458	1.5
59.01253	6.6
65.03851	30.7
67.01776	6.0
69.02956	2.1
69.03342	40.9
70.03686	1.8
71.01287	1.7
71.17020	3.6
77.03854	68.0
78.04196	3.3
78.79968	1.8
80.02561	2.7
81.02888	2.9
81.03347	34.6
83.01277	9.0
83.04907	3.8
85.02838	2.0
93.03355	35.7
94.03727	2.2
95.01279	3.8
95.04925	11.6
97.02850	41.8
109.02861	77.8
110.03210	3.4
111.00784	22.4
111.04417	5.2
121.02869	34.1
126.31361	1.5
141.01889	18.3
142.02209	1.6
157.99608	1.4
201.04030	100.0
201.11295	2.1
202.04407	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	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01605	1.6
60.18923	0.2
71.35370	0.4
86.11163	0.2
88.66090	0.2
91.61756	0.2
111.54620	0.2
115.02491	0.5
117.00307	0.3
125.09636	0.2
127.13479	0.2
128.00156	0.2
129.31462	0.2
136.39690	0.3
139.11217	0.4
157.03528	2.7
158.03790	0.4
159.01453	3.8
160.01553	0.4
171.81998	0.3
201.02547	10.4
201.11327	0.6
201.14951	0.2
202.02768	1.6
204.42122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90855	0.2
53.40633	0.2
55.80278	0.2
57.03334	0.2
59.01266	100.0
60.01601	1.4
61.98729	0.8
70.17048	1.0
71.01258	0.3
72.99213	0.4
73.66898	0.2
81.94383	0.2
87.04420	0.3
97.02872	0.2
99.92509	1.2
110.55047	0.2
113.02302	0.2
114.95827	0.2
115.02450	0.4
116.92776	0.7
117.00352	0.2
118.94173	0.5
122.52782	0.2
132.06433	0.2
139.11227	0.6
141.86751	0.3
141.93637	1.2
154.34877	0.2
157.03525	3.1
158.03625	0.6
158.89233	0.4
159.01443	5.1
159.02707	0.4
159.89319	0.8
160.01720	0.5
163.83916	0.2
164.83574	4.7
165.83652	0.3
166.49202	0.2
166.83229	1.1
173.06064	0.5
174.05560	0.3
183.10153	0.3
200.80443	0.2
200.94585	0.5
201.02533	14.2
201.04002	0.9
201.05586	1.2
201.07449	0.4
201.11272	1.6
201.12878	0.3
201.14919	0.5
201.80191	2.7
202.02737	2.1
202.04681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96776	0.3
59.01267	100.0
60.01598	1.7
69.03337	0.3
69.47081	1.5
69.47509	1.0
71.01268	0.3
82.55366	0.3
87.04415	0.3
88.17321	0.3
95.04900	0.4
97.02845	0.4
99.04420	0.3
99.92490	2.7
99.95630	0.3
105.56379	0.3
111.00801	0.5
117.00378	0.3
137.09892	0.2
139.00436	0.3
139.11250	0.8
141.93596	2.7
157.03554	2.3
157.06648	0.4
158.03700	0.5
158.89328	0.8
159.01460	4.3
159.89412	0.7
160.01581	0.9
161.23468	0.3
163.83952	0.8
164.83582	9.3
164.84941	0.5
165.83650	0.8
166.83299	2.4
173.02428	0.3
173.06123	0.7
183.10324	0.4
200.80653	0.6
201.02588	12.5
201.04115	3.2
201.05661	1.7
201.07462	0.5
201.09489	0.4
201.11281	2.6
201.14981	0.6
201.80212	5.3
202.02811	2.1
202.04611	0.3
202.05412	0.3
215.84608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1338
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03329	3.0
58.40008	1.2
59.01256	5.3
61.98703	5.3
65.99022	1.1
68.50675	1.3
69.03332	2.6
71.01269	1.4
71.04893	2.6
73.02843	2.8
81.03340	1.7
83.01266	2.3
83.04909	2.1
85.02855	3.4
93.03384	1.4
95.04943	1.7
98.20574	2.7
99.00793	3.4
99.04408	1.6
99.08047	2.5
111.00796	3.6
111.04439	2.1
111.08072	1.4
113.02345	4.0
113.05104	1.3
113.05907	1.4
116.92770	1.7
117.01865	1.6
125.02379	1.4
127.00262	1.5
127.03922	3.1
137.09674	3.7
139.03949	2.2
155.10745	8.6
155.14412	1.3
156.89410	2.9
161.66531	1.2
162.83858	50.1
163.83891	4.3
164.83568	42.5
171.13853	3.3
181.08696	1.9
198.80739	1.6
198.90581	1.9
199.02365	1.2
199.04066	3.1
199.06087	4.2
199.07921	2.1
199.09697	13.1
199.13379	100.0
199.16924	6.4
199.80472	40.9
200.13696	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	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03347	0.9
59.01258	2.0
61.26626	0.3
61.98719	0.4
65.01343	0.7
66.91477	0.4
69.60445	2.5
73.02827	1.7
81.03355	0.4
83.04920	5.3
83.05379	0.5
84.05278	0.4
95.73460	0.3
98.20123	1.3
109.06498	0.9
126.43271	0.3
127.03958	0.4
135.08090	1.7
137.09656	12.6
138.09998	1.2
154.59409	0.3
155.10721	100.0
156.11063	6.7
181.08687	3.7
189.54831	0.4
197.19086	0.3
197.90540	0.4
199.09735	28.1
200.10056	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	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03342	1.0
59.01266	12.7
61.98717	1.4
65.01337	1.4
65.99754	0.6
69.30283	2.8
69.30698	1.0
71.04914	0.4
72.05824	0.4
83.04888	0.9
85.02858	0.8
91.02930	0.6
93.60525	0.3
99.00786	0.9
99.08025	0.3
105.04508	0.5
106.04041	0.5
106.63203	0.4
107.02417	0.4
111.00783	0.6
111.08081	4.7
113.02377	0.8
124.49731	0.3
127.03959	0.4
130.04059	1.0
131.03590	0.5
133.05211	0.5
137.09656	6.6
138.10072	0.4
139.07574	1.7
144.39259	0.4
145.04010	0.5
146.03514	0.5
155.10724	100.0
156.11079	7.8
156.89479	0.5
157.05157	1.0
157.08647	17.9
158.03488	0.5
158.08992	1.4
161.46648	0.4
172.05103	1.1
172.06351	0.5
173.04626	1.0
181.08638	1.0
199.06165	1.5
199.07996	0.6
199.09743	12.1
199.13380	3.0
199.17043	1.4
200.10036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
52.51093	0.3
57.03326	0.7
59.01252	1.6
61.98711	2.8
65.01324	1.0
65.99726	0.6
67.05392	0.4
69.03343	14.5
70.03692	0.6
71.01270	2.0
71.04910	0.5
71.15218	0.4
71.15543	0.6
72.99200	14.2
73.02834	0.8
73.99529	0.4
75.00764	0.6
75.06760	0.3
81.03330	0.6
83.04906	0.8
84.02038	0.4
85.02837	1.0
87.00746	0.4
91.02933	0.7
93.03351	0.5
94.02910	0.4
95.04927	1.1
97.02835	0.4
97.06490	0.5
105.07011	0.8
106.04048	0.8
107.04925	0.4
107.08574	6.2
109.06517	0.5
111.00845	0.3
111.04439	0.4
113.02363	0.7
119.02451	0.4
119.08576	1.2
119.41170	0.3
123.08066	4.6
124.08352	0.4
125.09650	1.6
127.03936	0.5
129.05495	0.4
130.04018	1.3
131.03529	0.5
133.06520	2.4
135.08092	2.1
137.03435	0.4
137.09624	1.1
139.03854	0.4
145.03983	0.6
145.06560	0.4
146.03468	0.6
151.07596	0.7
153.09155	4.9
155.10675	2.0
156.10266	0.8
157.05067	1.3
158.03517	0.6
163.07573	1.7
169.08669	4.4
170.08968	0.4
172.05107	1.2
172.06346	0.4
173.04630	1.5
181.08667	8.9
182.08992	1.2
197.08144	0.9
199.09734	100.0
199.13351	2.8
199.16975	1.3
200.05811	0.9
200.10083	8.6
217.46790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
54.14795	1.0
56.86081	1.1
57.03335	13.1
59.01249	3.9
61.98281	0.9
61.98697	3.7
65.01317	3.0
67.05399	5.4
69.03339	25.2
69.73165	7.0
70.03670	1.2
70.99494	23.7
71.01258	1.9
71.04901	3.4
71.99848	1.0
72.99183	2.8
73.02820	2.2
73.78245	1.0
83.04923	5.7
85.02344	2.1
85.02837	24.5
85.06479	39.8
86.06806	1.5
87.04401	12.0
87.39114	1.1
91.02896	1.1
93.03377	1.1
95.04916	3.0
98.02365	1.8
99.04409	1.4
106.04025	1.3
109.06523	1.4
111.04426	92.3
111.08052	1.1
112.04749	3.6
113.02309	2.0
116.02416	1.3
119.08591	2.2
125.09594	2.5
127.03911	1.8
127.05795	7.9
129.05496	100.0
130.04005	1.8
130.05807	6.0
131.03551	1.4
135.08055	1.3
137.09631	6.9
145.04016	1.2
146.03476	1.4
153.09192	1.4
155.10736	4.6
156.10112	1.3
157.05118	1.1
159.03123	1.1
172.05080	2.8
173.04639	3.1
181.08678	12.6
182.09001	1.6
199.04268	1.8
199.06157	3.5
199.09724	57.2
199.13446	6.5
199.17001	5.2
200.03433	1.2
200.05537	1.4
200.10104	5.5
213.63866	1.0
214.66380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.04872	0.4
55.01762	0.8
59.01268	1.6
61.98711	0.9
65.01343	0.5
69.03332	0.9
69.37504	1.7
69.37943	2.8
71.04903	0.8
76.16953	0.4
78.21330	0.5
83.01270	0.6
83.04880	0.6
83.06548	0.4
88.45278	0.5
90.41487	0.5
95.01290	1.0
95.04936	0.6
97.03768	0.4
97.06498	13.6
99.08066	3.9
109.02905	0.6
109.06510	1.2
111.08032	0.7
115.03925	0.5
115.18528	0.4
121.02879	1.3
122.03714	2.6
123.00816	4.0
123.08033	0.5
124.59672	0.5
125.02364	0.7
125.09651	0.6
126.03159	1.1
126.90415	0.6
131.59691	0.5
135.08054	0.5
137.09657	1.6
138.03152	1.3
139.00272	0.5
148.38599	0.4
148.55348	0.5
151.11266	1.6
151.13872	0.5
151.53470	0.6
153.05508	1.3
153.09219	1.4
153.12799	100.0
154.13130	8.4
154.14291	0.7
160.84167	3.4
162.83870	9.4
166.99820	3.2
171.06737	0.6
171.13860	1.9
179.03511	0.8
179.10750	21.9
180.11115	2.3
182.02191	7.3
197.02109	0.9
197.04674	2.6
197.08167	1.3
197.11821	15.1
197.15497	0.7
197.80798	6.0
198.12154	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
56.98510	0.2
57.03341	2.7
59.01259	1.1
61.79665	0.3
65.01340	0.7
65.20618	0.3
71.55615	0.6
78.95824	0.3
80.02540	0.5
81.03351	0.8
83.01268	0.4
83.04917	0.8
91.02865	0.3
95.04926	5.4
96.05265	0.3
100.40614	0.3
105.04542	0.3
109.06502	2.8
115.76662	0.3
118.70213	0.3
121.06512	2.6
123.00813	0.6
135.08058	0.7
137.09651	65.9
138.03108	0.3
138.09988	5.0
143.02493	0.3
143.03554	0.4
148.58835	0.3
151.11203	1.4
153.05447	0.5
153.12788	26.3
154.13129	2.4
166.99878	0.7
167.99390	0.3
171.06760	1.1
171.13890	0.5
175.72911	0.3
179.10756	0.6
182.02179	1.3
183.01741	0.3
197.04636	1.3
197.11810	100.0
198.04175	0.4
198.07973	0.5
198.12152	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	197.0818
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
50.83832	0.7
57.03315	0.7
59.01266	38.2
60.99183	0.9
61.98709	1.2
65.01335	2.7
69.03312	0.8
69.76896	4.0
71.01273	1.2
74.40416	0.7
83.01262	1.0
93.77399	0.7
95.01315	0.7
101.88665	0.7
106.04068	1.1
107.08565	1.0
121.02834	1.2
123.00809	3.0
126.90378	0.9
130.99223	1.0
135.08067	7.1
140.15091	0.7
144.05692	0.9
146.03430	0.8
153.01898	1.1
153.05617	1.5
153.09152	100.0
153.12720	7.3
154.09506	9.5
155.03511	0.9
157.05124	1.6
166.99803	2.6
170.03572	1.1
171.06721	2.4
171.13876	2.0
182.02202	5.5
197.04546	2.3
197.08232	1.5
197.11821	7.2
198.07701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41926	0.8
52.98647	0.7
53.13171	0.7
54.29746	0.7
59.01266	38.4
65.01332	0.8
71.01273	9.6
72.14481	0.9
73.02837	4.2
73.26032	0.8
78.66457	1.1
80.02553	2.0
81.03361	4.3
82.04001	1.1
83.01270	1.2
85.02845	3.5
89.02338	7.5
95.04929	66.7
96.05246	3.1
97.02843	1.5
99.04449	0.9
101.02329	7.7
103.03962	1.5
107.04980	1.0
108.02054	1.8
109.02856	1.3
111.04388	1.1
113.02335	1.0
115.03966	1.6
119.03412	1.1
121.02838	1.6
123.00774	1.2
123.04431	3.2
134.29613	0.8
135.04388	1.0
135.06610	7.0
135.08095	38.6
136.01527	1.0
136.08406	3.8
137.02376	0.9
139.03902	0.8
140.04573	1.0
142.04079	1.4
149.02396	1.5
149.09709	6.5
150.03183	5.7
151.03891	2.6
151.11237	100.0
152.11583	7.2
165.01923	2.2
165.05582	5.8
167.03557	0.9
169.05190	1.4
177.07614	3.8
177.09032	1.5
180.04300	3.9
195.03015	2.3
195.05032	1.5
195.06619	5.8
195.08670	7.9
195.10245	48.2
195.90834	0.8
196.06256	2.7
196.10591	4.7
213.89868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.1
57.03324	6.4
58.00469	2.1
59.01266	84.8
60.01581	1.7
69.03337	4.1
70.02350	3.0
70.02746	6.8
71.01270	87.1
72.99216	7.7
73.02838	20.0
74.66665	1.6
75.00765	53.5
76.07314	1.4
78.95808	11.2
80.96397	2.5
81.03357	3.7
83.01283	8.6
83.04937	2.6
85.02853	26.4
87.00777	20.9
87.04435	1.9
89.02338	54.0
93.03332	2.8
96.96861	14.2
97.02846	4.6
98.19885	2.3
99.00773	6.3
99.04407	5.3
101.02351	49.9
102.02687	1.6
103.03915	4.6
105.01829	20.1
111.00764	2.8
111.04427	3.3
113.02335	4.5
115.03922	9.3
117.05573	1.9
119.03418	10.4
121.02843	3.2
123.04400	2.1
127.03938	3.1
129.01865	25.5
130.02182	1.8
131.03406	2.4
133.05038	2.1
135.06561	2.0
147.02896	4.3
149.04524	2.4
151.03952	4.5
152.04852	1.4
159.02953	4.4
160.84163	100.0
165.01967	1.8
174.65627	1.5
177.04056	9.3
177.07635	22.3
180.04117	1.9
182.80757	1.4
192.77936	1.5
195.05156	48.2
195.08713	67.1
195.81091	53.9
196.05412	1.9
196.09035	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	195.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03330	1.4
57.69104	0.3
57.76685	0.3
58.00467	0.4
59.01265	16.5
65.00214	1.1
69.03333	1.0
69.32361	3.4
71.01270	10.0
72.03992	0.4
72.99222	0.6
73.02836	3.5
81.03349	14.4
82.03671	0.6
83.01286	2.0
83.04919	0.6
84.19250	0.3
85.02840	4.2
85.06482	1.3
87.00787	0.4
87.04414	1.6
89.02338	6.6
95.04906	0.5
97.02849	0.7
99.04441	0.6
101.02351	7.3
103.03932	0.7
107.01302	1.3
107.04924	0.6
109.06506	8.4
110.06818	0.3
111.04426	8.5
112.04774	0.4
113.02322	0.5
115.03909	1.1
119.03430	1.1
121.02935	0.3
122.03651	3.9
123.04415	1.0
123.08092	1.0
125.02373	7.1
126.02716	0.4
127.07558	0.7
131.03415	0.5
133.05000	0.4
135.04445	0.4
135.06561	1.5
136.05232	0.5
150.03152	0.8
151.00327	2.8
151.07591	74.5
152.07930	5.2
153.05449	0.6
165.01906	0.5
165.05531	0.8
177.05569	1.1
177.07686	2.8
180.04234	1.0
190.57428	0.3
195.06622	100.0
195.08624	8.9
196.06979	9.6
196.08830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03024	1.0
55.01764	3.8
56.98512	1.2
57.03336	6.0
58.00476	2.8
59.01265	93.8
68.77819	1.0
69.03333	5.7
71.01270	100.0
71.21826	1.3
71.22150	1.8
72.01615	2.2
72.99193	8.2
73.02443	1.9
73.02837	29.4
75.00767	26.7
78.95786	3.7
80.96400	1.8
81.03348	1.9
82.79729	1.2
83.01269	7.0
83.04898	2.3
85.02847	33.5
87.00771	33.2
87.04411	3.5
89.02338	70.1
91.03928	1.0
96.96865	3.7
97.02854	4.8
99.00769	3.9
99.04430	4.6
101.02348	75.6
102.02666	2.1
103.03908	6.4
105.01844	40.8
111.00781	3.1
111.04426	4.9
113.02366	6.7
115.03918	13.7
117.18800	1.1
119.03434	11.0
121.04974	1.1
123.04381	2.0
127.03899	4.2
129.01862	23.0
131.03453	2.4
133.04962	3.3
135.06540	3.6
140.80582	1.1
147.02928	16.6
149.04497	3.4
150.03108	1.1
159.02928	2.5
160.84132	3.2
165.05525	1.2
177.04016	16.9
177.07637	27.9
180.04272	3.2
195.03247	2.1
195.05104	41.7
195.08717	86.6
195.81035	1.8
196.05444	2.5
196.07416	1.1
196.09140	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	193.0504
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.78355	0.6
54.94522	0.5
59.01265	3.5
60.86067	0.5
63.69931	0.5
69.03349	0.7
70.10822	2.3
70.11205	0.9
71.01279	1.8
73.02826	2.6
74.15997	0.5
78.95797	16.1
79.95611	0.6
83.01299	0.7
85.02852	2.1
86.00027	0.9
87.00774	2.1
89.03876	3.4
93.03332	0.6
96.96860	13.7
97.02853	1.1
97.04060	0.6
99.00784	1.5
101.02370	3.3
105.07016	0.8
106.04118	1.5
109.02864	0.7
111.17506	0.6
117.03387	6.7
121.02869	1.7
124.05041	0.7
125.02387	1.4
133.02887	1.7
134.03674	100.0
135.04005	5.9
137.02390	8.4
137.03345	1.0
139.03935	2.3
141.01894	1.0
149.02356	1.0
149.06032	14.6
149.09659	0.6
150.03186	1.0
150.06386	1.3
151.03818	0.6
158.61804	0.6
158.74088	0.5
161.04523	4.3
165.01872	0.5
178.02682	26.0
179.03296	2.4
193.01349	0.5
193.02716	19.7
193.05054	21.7
193.07112	2.4
193.08914	1.7
194.03078	1.1
194.05359	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	193.0716
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
50.03561	1.6
51.26035	1.3
55.01768	4.8
57.03337	4.2
58.00470	3.0
59.01265	29.8
69.03357	16.8
71.01272	51.4
71.57092	1.9
72.99182	7.2
73.02836	44.1
74.34322	1.4
75.00750	3.0
76.22446	1.6
81.03349	6.8
83.01276	17.1
85.02847	52.0
85.03362	2.5
85.99999	7.6
86.03200	2.7
87.00771	41.6
89.02334	5.4
95.01280	10.0
97.02850	26.8
99.00784	41.4
101.02347	59.7
108.02063	1.8
111.00780	5.1
112.01587	2.5
113.02386	12.1
115.03906	1.9
116.44250	1.8
117.01843	2.6
121.02889	4.7
123.00808	5.2
123.04433	2.9
124.01534	1.5
125.02367	23.3
127.03951	2.9
134.03668	10.5
137.02373	2.9
140.01094	4.9
141.01875	18.5
142.02599	4.1
149.02423	3.3
149.06009	5.4
149.09698	2.1
150.03085	2.3
155.03444	10.2
159.02977	2.6
161.04504	100.0
162.04854	5.0
175.06085	3.0
177.99055	3.0
178.02669	33.6
179.03064	2.8
180.20258	1.5
191.05617	3.6
192.84248	1.6
193.01395	3.4
193.05080	16.2
193.07156	70.2
193.08650	5.0
194.07483	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	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.4
63.05523	0.2
69.03329	0.3
69.47499	2.0
71.01272	1.2
73.02859	1.1
83.02432	0.2
85.02853	1.1
87.00784	0.9
89.03866	4.3
90.04278	0.3
93.03345	0.4
93.77900	0.2
95.01290	0.4
97.02847	0.4
97.03970	0.3
99.00800	0.8
101.02335	1.3
106.04141	0.9
109.04072	0.2
111.00842	0.3
113.02334	0.3
117.03381	9.9
118.03722	0.5
121.02872	0.8
124.05120	0.2
125.02312	0.3
133.02917	1.2
134.03670	100.0
135.04007	6.9
136.01698	0.2
137.02373	5.5
139.03931	1.4
140.01109	0.4
141.01842	0.3
149.02434	0.3
149.06030	9.6
149.09616	0.3
150.03154	0.7
150.06406	0.7
161.04498	1.9
162.04855	0.4
166.06203	0.4
178.02686	17.6
179.03030	1.4
186.43932	0.2
193.01393	0.5
193.05040	17.4
193.07101	1.2
194.05408	1.6
202.41399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
55.20236	0.3
57.03329	1.0
58.00474	0.6
59.01267	4.2
60.37119	0.3
60.50255	0.3
65.01324	0.3
65.99734	0.3
67.02914	0.3
68.99706	0.4
69.03339	2.5
69.65977	1.3
69.66393	0.6
71.01275	6.4
72.99198	1.0
73.02837	7.1
79.01772	0.5
79.76743	0.2
81.03348	0.9
82.93130	0.2
83.01274	2.9
84.81998	0.2
85.02843	8.1
85.03362	0.4
85.99976	0.7
87.00774	5.5
87.92677	0.2
89.02355	0.5
89.03857	3.2
91.02914	0.3
93.03354	0.8
95.01311	1.6
97.02854	3.4
99.00780	5.8
101.02345	8.8
106.04156	1.2
107.03687	0.3
108.02071	0.8
108.04483	0.4
109.02871	1.9
109.03967	0.4
111.00803	0.6
112.01597	0.5
113.02345	1.7
115.03916	0.4
117.01892	0.4
117.03377	9.6
117.04202	0.6
118.03777	0.4
121.02856	1.1
122.03486	0.3
123.00810	0.9
123.05612	0.3
125.02365	3.6
126.62048	0.3
127.03979	0.4
133.02895	1.6
134.03668	100.0
135.03992	6.6
137.02390	6.7
137.03432	0.5
139.03986	1.8
140.01089	0.9
141.01874	2.8
142.02634	0.3
149.02388	0.7
149.06023	8.8
149.09726	0.4
149.45891	0.3
150.03139	0.6
150.05420	0.5
150.06447	0.8
151.03935	0.3
153.01904	0.7
155.03500	1.4
159.02899	0.7
159.97281	0.3
161.04512	13.1
162.04863	0.8
165.01875	0.5
166.06212	0.7
173.04552	0.3
175.06169	0.5
178.02692	18.1
179.03076	1.6
191.05597	0.3
193.01448	1.7
193.05066	18.5
193.07164	8.8
193.08728	0.5
194.04446	0.5
194.05664	0.6
194.07510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
54.27615	0.4
59.01265	3.6
69.03337	1.0
70.79187	0.4
70.79557	1.1
71.01272	4.0
72.99210	0.5
73.02831	3.8
81.03359	0.9
83.01276	1.4
83.02388	0.5
84.04429	0.4
85.02834	3.8
85.99994	0.4
87.00770	3.4
89.03843	3.3
91.02941	0.4
93.03371	0.8
95.01289	0.9
97.02860	1.9
99.00769	3.2
101.02353	5.2
106.04134	1.7
109.02862	0.8
109.03945	0.7
111.00797	0.6
113.02328	0.9
117.03368	8.2
118.03684	0.5
119.23981	0.4
121.02868	2.1
122.03506	0.4
123.00850	0.5
123.04453	0.7
125.02353	1.6
133.02892	2.1
134.03662	100.0
135.04001	7.2
137.02373	8.4
138.02692	0.6
139.03937	2.9
140.01068	0.5
141.01888	1.3
149.02444	0.8
149.06024	11.4
150.03130	1.2
150.06416	0.8
155.03421	1.2
161.04492	7.6
162.04861	0.7
165.01860	0.9
166.06152	0.6
175.06177	0.5
178.02670	28.2
179.02931	2.0
186.12094	0.4
189.11082	0.4
193.01384	1.7
193.05051	22.1
193.07126	5.0
194.05502	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24656	0.2
59.01261	0.6
69.68802	0.3
71.01282	0.4
71.36246	0.5
73.02831	0.9
83.01259	0.3
85.02847	0.6
87.00798	0.4
93.03368	0.5
99.00768	0.7
101.02331	0.8
106.04163	0.8
109.02839	0.5
111.00787	0.5
121.02882	1.9
125.66754	0.3
130.80003	0.3
133.02890	16.3
134.03690	14.9
135.04025	1.0
137.02380	13.3
137.03445	0.4
138.02693	0.9
139.03952	3.7
149.02390	0.3
149.30901	0.2
150.03151	1.2
161.02402	24.8
161.04564	1.2
162.02765	1.4
178.02704	3.5
193.05051	100.0
194.05391	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	193.0504
Annotation	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
53.27696	0.4
55.01769	0.6
57.03333	0.9
58.00468	0.6
59.01263	5.9
65.01329	0.4
69.03349	2.5
69.44601	2.2
69.45029	2.1
71.01273	8.3
72.99204	1.3
73.02836	9.0
75.00756	0.5
79.66235	0.5
81.03376	0.6
83.01277	2.9
84.97424	2.0
85.02842	9.5
85.99998	1.5
87.00771	6.2
89.02302	1.0
89.03845	2.0
93.03361	1.6
95.01284	2.1
97.02848	3.3
99.00782	6.9
101.02345	9.6
106.04152	1.3
108.06145	0.4
109.02863	1.0
111.00782	1.3
113.02364	1.9
117.01888	0.6
117.03347	3.1
121.02866	2.5
123.00789	1.0
124.01555	0.7
125.02374	3.5
129.95535	0.5
129.96585	0.4
133.02881	4.4
134.03667	100.0
135.03989	6.0
137.02377	12.9
138.02681	0.5
139.03952	3.0
140.01065	1.2
141.01875	3.1
142.02632	0.4
143.03418	0.6
149.02402	1.4
149.06015	18.3
150.03169	2.1
150.06358	1.7
155.03485	1.3
159.03012	0.7
161.04498	17.4
162.04866	1.1
165.01909	0.9
178.02673	49.5
179.03001	3.5
191.05626	0.5
193.01453	2.1
193.03430	1.0
193.05061	28.7
193.07155	11.8
194.05394	2.0
194.07274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07551	0.1
57.03323	0.4
58.00478	0.2
59.01270	3.3
60.99182	0.2
61.37238	0.1
61.37597	0.1
63.41385	0.2
67.01778	0.7
69.03352	0.5
69.57058	1.1
70.53799	0.1
71.01273	1.6
73.02840	0.7
76.00632	0.1
77.19543	0.1
81.03359	0.8
83.04912	0.6
84.95872	0.1
85.02848	18.5
86.03168	0.4
87.00305	0.1
87.00780	3.6
93.03361	5.6
94.03695	0.3
95.01300	0.2
99.00756	0.2
99.04428	0.7
101.02343	0.3
106.09338	0.1
108.02048	0.2
109.02863	1.6
111.00774	1.1
111.04430	1.9
113.02354	0.2
125.02358	0.2
127.03949	3.8
129.05531	0.2
137.02425	0.4
147.04465	0.1
149.01155	0.1
155.03398	0.3
163.00188	0.2
171.02951	1.0
173.04514	2.0
176.01099	0.3
177.22580	0.1
191.05594	100.0
192.05936	6.0
192.07697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.1
59.01266	5.4
67.01761	1.5
69.03344	0.9
69.77502	3.1
69.77893	0.8
71.01264	2.6
73.02845	1.3
81.03341	1.6
83.01303	0.5
83.04930	1.5
85.02843	30.2
86.03181	1.2
87.00775	6.8
93.03359	9.6
93.17165	0.6
98.20433	1.0
99.04414	1.7
109.02866	1.9
111.00786	1.9
111.04443	3.4
127.03949	6.1
140.58005	0.5
158.11855	0.5
171.02951	1.5
173.04510	2.0
191.05585	100.0
192.05910	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	191.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.0
59.01265	9.4
62.81659	0.3
67.01784	0.6
69.03363	0.7
69.34686	3.2
71.01266	1.5
73.02852	1.1
81.03375	0.4
83.01280	0.3
83.04926	0.4
84.02066	0.5
85.02842	15.6
85.80513	0.3
86.03178	0.5
87.00770	10.7
93.03352	3.4
95.01324	0.3
99.00842	0.3
99.04462	0.5
101.02369	0.6
104.02644	0.4
109.02887	0.7
111.00791	18.5
111.04420	1.3
112.01153	1.2
119.04951	1.9
121.02872	100.0
122.03201	6.2
127.03937	2.5
129.01860	1.2
131.03389	0.6
140.50108	0.3
147.00816	0.4
147.04463	6.8
148.01607	0.6
148.04849	0.5
155.03384	0.3
163.00293	0.4
163.03932	0.8
171.02962	0.6
173.00870	0.8
173.04494	1.2
176.01123	2.6
191.01915	2.6
191.03542	9.2
191.05569	56.2
191.14323	0.6
192.04082	0.6
192.05901	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	191.0559
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
53.20321	0.3
56.34996	0.3
57.03351	1.8
59.01268	3.4
67.01781	1.4
69.03352	0.5
70.93990	0.8
70.94344	0.6
71.01278	2.6
73.02836	0.9
77.25140	0.3
81.03344	1.0
83.01309	0.3
83.04945	0.8
85.02846	29.7
86.03182	0.6
87.00772	16.1
88.01101	0.4
89.35957	0.4
93.03360	7.4
94.03699	0.4
97.02893	0.3
99.00797	0.3
99.04417	0.9
101.02341	0.5
109.02859	1.8
111.00792	21.7
111.04406	2.3
112.01116	1.2
127.03944	5.9
128.53683	0.4
129.01860	1.6
138.76280	0.3
155.03392	0.6
164.30310	0.3
171.02913	1.0
173.00946	0.6
173.04526	2.0
191.02106	2.4
191.05589	100.0
192.05920	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31590	0.2
55.96492	0.2
57.03328	0.6
59.01261	3.0
59.09447	0.2
62.16327	0.2
67.01770	0.9
69.03344	0.6
71.01266	2.1
71.13211	0.3
71.13552	0.3
73.02839	0.7
81.03355	0.8
83.04890	1.3
85.02841	21.8
86.03168	0.4
87.00775	4.2
93.03357	6.9
93.03925	0.4
99.00838	0.2
99.04417	0.8
109.02866	1.6
111.00793	0.3
111.04432	2.4
125.02371	0.3
127.03934	4.4
128.04233	0.3
128.70158	0.2
137.02356	0.3
143.03482	0.2
153.01880	0.2
155.03459	0.5
156.93573	0.2
171.02878	1.1
173.04506	2.1
173.49989	0.2
174.04832	0.2
191.05580	100.0
192.05907	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	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31015	0.4
52.69145	0.4
57.03339	7.5
58.00484	0.5
59.01265	2.5
63.22386	0.5
67.01781	3.3
69.03343	0.7
70.62084	1.3
71.01269	0.9
73.02841	1.4
73.50716	0.4
81.03335	1.0
83.04913	0.6
85.02844	42.2
86.03180	1.1
87.00774	49.9
88.01109	1.3
93.03358	4.6
99.04420	0.8
101.02367	0.6
109.02866	1.1
111.00792	100.0
111.04449	1.2
112.01105	3.8
117.01837	0.6
127.03951	2.2
129.01872	5.7
130.99757	0.9
134.74115	0.4
147.02884	0.6
154.99748	0.6
171.02919	0.8
173.00871	2.9
173.04486	1.0
191.01979	14.2
191.05583	43.3
192.02258	1.2
192.05943	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	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	5.9
58.03697	0.3
59.01265	3.7
67.01771	2.6
69.03333	0.5
69.47032	0.3
71.01269	1.5
71.13266	0.5
71.13638	0.5
72.99214	0.4
73.02841	1.0
81.03355	0.5
83.01287	0.4
83.04912	0.8
85.02840	36.9
86.03188	1.1
87.00770	42.0
88.01112	1.0
91.60545	0.3
93.03358	4.9
99.00816	0.3
99.04431	0.8
101.02343	0.8
103.03929	0.3
109.02852	1.2
111.00788	100.0
111.04382	1.2
112.01129	4.9
117.01843	0.3
127.03925	2.9
128.67693	0.2
129.01859	5.7
130.99789	1.1
147.02940	0.6
154.99802	0.7
171.02980	0.7
173.00873	3.0
173.04524	1.2
191.01967	18.6
191.05574	71.3
192.02274	0.7
192.05911	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	189.0767
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.03339	9.9
59.01264	16.5
62.74603	0.4
65.01320	0.4
65.99740	0.5
69.60267	1.2
69.60698	1.8
75.95386	0.4
84.40647	0.4
85.02827	0.5
85.06481	100.0
86.06824	3.4
87.00799	0.5
98.20531	0.8
117.03396	0.9
120.04472	1.7
127.07572	33.7
128.07892	2.0
129.05499	15.1
130.05864	0.9
145.02928	0.5
161.02344	0.4
163.03932	1.0
164.03452	0.9
171.02946	0.6
179.24696	0.4
180.83974	0.4
185.52065	0.4
189.01846	0.8
189.05721	0.7
189.07660	10.6
190.01416	0.7
190.07961	0.7
195.52019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61673	0.7
53.85246	0.7
54.57584	0.6
57.03341	6.0
59.01263	6.6
65.81590	0.8
67.01780	1.7
69.42034	5.0
69.42465	2.7
71.01272	1.7
83.01289	0.8
85.02847	40.7
86.03172	1.5
87.00773	48.0
88.01103	1.3
93.03386	4.0
98.20564	1.4
101.02332	1.3
111.00795	100.0
111.04430	1.4
112.01130	3.9
127.03938	1.6
129.01894	5.3
130.99754	1.1
171.02956	0.8
173.00934	1.9
176.01067	1.2
191.01979	11.9
191.03743	2.0
191.05583	39.9
192.05972	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	187.1337
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
55.01772	0.5
57.03332	0.9
59.01269	2.8
61.98706	2.3
70.32824	0.6
70.33217	0.8
71.04914	0.4
72.99216	0.5
80.00107	0.3
83.04928	0.5
85.27431	0.4
90.97003	0.4
97.06499	1.3
99.00797	0.5
125.09653	9.0
126.09982	0.5
139.11249	3.2
141.12784	100.0
141.86755	7.1
142.13123	8.2
143.06934	0.4
143.10735	0.5
144.04512	0.5
159.87825	3.8
168.88847	0.5
169.12315	2.7
185.11838	1.5
186.12105	0.5
186.95567	0.5
187.03970	1.1
187.09879	5.3
187.13364	93.3
187.86057	0.4
188.03513	0.6
188.13713	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	187.0973
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
51.84460	0.4
54.23459	0.4
56.05199	0.4
57.03339	3.3
57.85182	0.4
59.01266	20.3
60.01606	0.6
61.98728	0.7
65.01337	1.7
65.99740	1.2
67.17138	0.4
68.01308	0.5
69.03342	0.6
70.60520	1.7
71.01308	0.5
71.04915	0.6
72.99184	0.4
83.04915	0.6
89.01315	0.4
91.02928	1.5
97.06492	9.6
99.00765	0.8
99.08062	5.4
105.04561	0.4
116.02483	0.4
118.04044	1.0
119.02444	1.0
121.04999	0.5
122.01397	0.4
122.03509	0.6
123.08090	5.0
125.02378	0.6
125.09648	100.0
126.09971	8.7
127.07578	4.1
128.03476	0.4
130.04054	0.5
133.04019	1.4
134.03477	0.7
143.03595	0.5
143.04959	0.6
143.10725	2.3
144.04385	0.7
145.05122	1.3
145.08646	25.2
146.03566	0.5
146.08983	2.1
147.04256	0.9
157.05164	0.5
159.08076	0.7
160.05115	4.5
161.04645	1.2
169.01419	0.5
169.08618	3.0
175.95044	0.4
187.06184	3.3
187.07799	2.1
187.09729	54.5
187.13330	1.3
188.05769	0.8
188.10045	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	187.0245
Annotation	trans-Homoaconitate
Peak:m/z	Relative Intensity
58.02868	2.5
59.01271	3.2
67.01782	1.7
70.95290	3.9
71.04906	1.4
72.04424	1.5
74.02375	1.3
77.64223	1.3
81.03357	5.2
83.01276	2.0
88.03919	2.1
88.43179	1.3
97.57864	1.3
98.02367	12.2
99.04420	44.4
100.07603	1.6
102.05515	8.1
103.69550	1.2
105.66991	1.2
114.05531	11.9
115.03928	8.7
116.03437	2.2
116.07111	2.9
124.03947	1.7
125.02367	100.0
125.09604	1.5
126.02703	4.9
126.05509	2.9
128.03445	6.2
142.05028	15.4
143.03416	11.8
144.06593	9.3
170.04619	2.2
187.02426	20.0
187.10881	2.9
188.02856	1.9
188.05597	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	185.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.0
59.01247	0.8
62.96276	0.2
65.01341	0.6
65.99739	0.3
69.03342	3.0
69.90278	1.6
71.01276	0.3
71.04915	1.3
73.02836	1.1
78.89230	0.3
85.02837	0.4
85.06481	0.3
87.12332	0.3
91.02906	0.3
97.02897	0.3
97.06485	1.2
106.04000	0.4
110.17224	0.2
113.09641	7.5
114.09974	0.4
115.02890	0.3
115.07571	4.0
116.02466	0.5
120.05552	0.3
121.05099	0.8
123.08070	0.8
125.09650	2.9
130.04042	0.4
132.05559	0.7
139.07545	0.3
141.09177	1.5
141.12753	1.4
144.01988	0.4
144.05589	0.8
157.08644	0.9
158.03503	0.6
158.07188	0.3
159.92770	0.3
167.10719	1.0
169.08667	0.4
185.11803	100.0
186.07841	0.5
186.12172	10.2
203.93259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1177
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03334	0.9
59.01265	1.9
65.01321	3.2
65.99724	1.6
66.00880	1.2
68.04099	0.8
69.03345	1.2
71.04898	1.3
78.95804	1.4
79.29405	0.7
83.04884	1.0
85.06525	1.2
88.03930	1.0
89.01345	1.5
90.00865	0.9
91.02935	1.0
106.04070	0.9
109.20502	0.8
115.02927	1.2
116.02435	2.2
121.05113	2.9
121.48656	0.6
123.08044	1.1
132.05586	1.1
137.09625	0.8
139.11217	33.5
140.11528	2.0
140.44543	0.7
141.09126	3.7
141.12656	0.9
142.04045	0.8
143.03584	1.0
143.06261	0.7
144.01958	1.1
144.04414	0.9
144.05544	1.5
145.02711	1.0
157.05107	1.4
157.06306	0.9
158.03548	2.5
158.04657	0.9
158.07262	0.9
159.03065	1.0
159.05565	1.0
167.10745	1.2
167.87132	0.8
185.04601	1.8
185.08301	2.2
185.11797	100.0
186.07895	1.4
186.12160	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	183.1387
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01263	0.5
65.00182	0.2
69.93884	0.2
70.91764	0.4
70.92126	0.3
80.32593	0.2
104.51363	0.2
139.07669	0.2
139.11317	0.2
157.05130	0.4
168.00624	0.4
183.03030	0.4
183.13875	100.0
184.06161	0.3
184.14223	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	185.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.9
59.01265	1.9
65.01321	3.2
65.99724	1.6
66.00880	1.2
68.04099	0.8
69.03345	1.2
71.04898	1.3
78.95804	1.4
79.29405	0.7
83.04884	1.0
85.06525	1.2
88.03930	1.0
89.01345	1.5
90.00865	0.9
91.02935	1.0
106.04070	0.9
109.20502	0.8
115.02927	1.2
116.02435	2.2
121.05113	2.9
121.48656	0.6
123.08044	1.1
132.05586	1.1
137.09625	0.8
139.11217	33.5
140.11528	2.0
140.44543	0.7
141.09126	3.7
141.12656	0.9
142.04045	0.8
143.03584	1.0
143.06261	0.7
144.01958	1.1
144.04414	0.9
144.05544	1.5
145.02711	1.0
157.05107	1.4
157.06306	0.9
158.03548	2.5
158.04657	0.9
158.07262	0.9
159.03065	1.0
159.05565	1.0
167.10745	1.2
167.87132	0.8
185.04601	1.8
185.08301	2.2
185.11797	100.0
186.07895	1.4
186.12160	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	183.1024
Annotation	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
54.37098	1.6
57.03339	39.1
59.01266	2.7
60.64690	1.4
69.03345	100.0
70.03671	4.0
71.04913	33.7
81.99666	1.4
83.04928	1.7
85.06466	3.8
85.34307	1.3
90.44542	1.7
95.04922	1.6
98.20776	2.4
107.01236	1.5
111.08078	36.9
112.98479	1.9
113.05997	11.6
123.08089	11.6
139.10144	2.9
139.11224	50.8
140.11542	4.9
151.00291	1.8
157.05128	5.2
169.01340	2.1
183.10234	67.1
184.10551	5.8
201.12473	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.91551	0.2
57.03332	0.3
59.01257	1.2
65.01331	0.4
65.83829	0.1
67.01761	0.3
68.07150	0.2
68.99458	0.2
69.03347	0.3
71.04932	0.2
71.62777	0.3
83.01272	0.2
83.04924	0.3
84.04468	0.2
85.02836	0.2
95.01344	0.2
96.04535	0.2
97.02847	0.2
98.02374	0.2
109.02914	0.2
111.00795	0.4
111.04419	0.2
111.08050	0.2
112.03908	0.4
112.51519	0.2
112.98483	0.5
121.06503	0.3
122.02410	0.2
123.04365	0.2
124.01662	0.4
124.03976	0.4
130.04059	0.3
137.02373	0.2
137.09688	0.2
139.07596	0.5
139.11220	0.6
141.05510	0.2
143.04807	0.4
151.00310	0.2
152.98228	0.3
156.05608	1.0
157.05154	1.0
165.01886	0.3
165.12755	0.2
168.00587	1.1
183.03018	0.9
183.06680	1.1
183.10545	2.6
183.13875	100.0
184.06155	0.9
184.14211	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	183.1024
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
57.03331	1.4
59.01265	100.0
60.01596	1.8
65.01361	0.4
67.01767	0.4
68.84007	0.3
69.03348	1.9
69.72883	1.0
69.73292	0.8
71.04905	0.6
85.02831	0.4
92.98137	0.3
95.01317	0.3
111.08074	0.5
113.06009	0.5
123.08078	0.7
126.25848	0.3
127.03067	0.3
127.57158	0.3
129.58115	0.3
129.63057	0.3
129.94504	0.3
130.04010	0.3
137.09651	0.7
139.07484	0.4
139.11230	2.2
152.98238	0.4
156.05664	0.6
157.05112	0.9
168.00606	0.4
169.01227	0.4
183.00339	0.3
183.03009	0.8
183.10229	52.5
184.06258	0.7
184.10564	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	183.1023
Annotation	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
50.20970	2.0
57.03338	36.5
59.01254	8.0
65.01331	4.3
67.01792	3.0
68.99452	4.3
69.03345	100.0
70.03669	4.7
71.04913	23.4
72.14945	1.9
74.68856	1.8
83.04897	4.9
85.02834	4.1
85.06520	2.8
89.01350	2.8
91.09342	1.9
93.03355	13.3
95.04929	4.2
107.04989	2.3
111.00791	2.2
111.04436	4.8
111.08073	27.8
112.08372	2.4
112.98470	3.0
113.06003	7.4
121.02864	6.1
121.06504	2.3
123.08071	9.7
124.01640	4.0
124.98836	2.4
130.04028	3.8
139.00327	2.0
139.07487	2.3
139.11221	52.6
140.11552	5.8
141.01927	2.6
143.04771	2.6
149.02351	3.6
150.03143	4.4
151.03920	9.3
155.03554	4.9
156.05597	5.7
157.05099	12.1
165.09135	2.6
168.00595	4.9
183.02986	6.2
183.06737	6.4
183.10242	83.6
184.06226	2.4
184.10530	6.8
194.02058	3.3
195.02742	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	179.0558
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
55.01805	1.7
56.12654	1.6
57.03325	2.1
57.65795	1.6
58.00479	3.1
58.59635	1.5
59.01264	50.8
69.03342	2.7
69.78296	5.6
69.78710	4.5
71.01272	58.5
72.99195	5.5
73.02833	14.5
74.34341	1.7
75.00764	21.4
75.20669	1.6
83.01274	4.8
85.02840	24.1
87.00771	100.0
89.02334	26.5
90.98470	2.3
95.01279	3.5
97.02850	8.0
99.00775	26.3
101.02340	14.4
113.02335	10.0
115.30842	1.6
117.01836	16.2
125.02332	10.4
129.01888	2.5
135.04434	9.6
141.01878	7.2
143.03416	2.8
159.02962	5.4
161.04497	75.4
162.04845	5.4
177.04044	4.1
179.02202	3.6
179.05574	93.3
180.05963	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	183.1024
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
57.03340	12.0
59.01265	10.1
65.01331	5.7
65.99709	1.1
66.00844	1.2
68.99449	2.2
69.03345	11.1
71.01263	2.0
71.04913	4.3
71.55235	1.6
72.99196	1.3
81.03344	1.3
83.02407	1.3
83.04909	3.6
84.00773	1.1
85.02814	1.2
85.06482	5.8
89.01339	2.6
90.00880	2.5
93.03342	3.4
94.02901	1.5
95.01249	1.5
95.02374	1.0
95.04932	2.0
96.00849	1.0
97.02862	1.5
97.06520	1.1
98.02381	2.3
105.67093	1.0
107.08573	11.3
111.00786	2.0
111.01950	1.4
111.04425	2.5
111.08087	3.3
112.03983	2.3
112.07611	1.1
112.98475	2.5
113.06014	1.4
115.02953	1.1
116.02456	1.4
121.10146	3.7
121.16319	0.9
122.02418	1.0
123.04483	1.6
123.08093	3.2
124.01605	1.6
124.03947	1.6
124.98740	1.3
125.06032	3.0
130.04036	2.9
131.03596	2.0
132.05627	1.1
137.09627	2.8
139.00301	1.6
139.03969	1.5
139.07614	2.7
139.11224	18.3
140.04466	1.0
140.11551	1.6
141.02031	2.2
142.03999	1.4
143.04791	2.6
144.04355	3.1
145.24176	0.8
151.04034	1.0
152.98232	2.7
153.09190	1.1
155.03558	1.5
156.04358	1.2
156.05634	7.6
157.03932	0.9
157.05132	13.7
157.06288	0.7
160.15846	1.0
165.09161	1.9
167.99301	1.2
168.00604	3.9
180.25151	0.9
182.04758	0.9
183.02995	4.2
183.06776	5.5
183.10236	100.0
184.06232	5.4
184.10583	8.8
202.07535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0343
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
57.03334	0.7
58.00464	0.3
59.01263	8.5
63.02279	1.1
64.16704	0.3
65.00197	0.4
65.01354	0.4
67.02918	0.3
69.03337	0.9
69.96257	0.8
69.96670	0.8
71.01266	8.8
72.99191	0.8
73.02839	1.8
75.00790	0.4
78.95792	5.3
82.03999	0.6
83.01279	1.4
83.02396	0.6
85.02837	3.4
86.81084	0.3
87.00766	15.9
88.01125	0.4
89.02332	3.8
89.02843	0.4
89.03876	0.3
90.98500	0.3
91.05431	0.9
93.03362	0.7
94.02873	0.4
95.01292	0.5
95.02409	0.5
96.00783	0.3
96.96859	4.0
97.02862	1.5
99.00777	3.9
101.02350	2.1
105.01817	0.3
106.04099	0.4
107.01290	1.2
107.04942	2.2
108.02070	0.5
108.04446	0.3
109.02863	0.7
109.03997	0.8
110.02375	0.4
111.01888	0.4
113.02350	1.3
117.01839	2.6
117.03368	0.6
119.02425	0.2
119.03475	0.3
120.01933	0.3
121.02859	2.3
123.00790	0.3
125.02344	1.9
129.01868	0.5
134.03670	7.6
135.04443	100.0
136.01622	0.3
136.04782	6.4
137.02428	0.3
137.03560	0.3
137.04596	0.3
141.01863	1.1
150.03073	0.3
151.00293	1.5
151.03949	0.4
152.04584	0.5
152.26781	0.2
159.02960	0.9
161.04495	10.6
162.04839	0.5
164.01083	1.1
164.04834	0.7
169.01384	0.7
170.18907	0.3
177.04041	0.6
178.99902	1.9
179.01120	0.6
179.03456	17.5
179.05576	11.9
179.07101	1.7
179.10696	0.3
180.03964	1.7
180.06053	0.5
180.07759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
57.03338	0.4
58.00481	0.3
59.01264	6.4
63.02281	0.4
65.00197	0.3
65.01335	0.2
65.99733	0.4
66.03347	0.2
67.02895	0.2
68.01276	0.3
69.03333	0.5
69.93739	0.9
71.01271	6.7
72.99203	0.3
73.02825	1.1
75.00726	0.2
79.05421	0.2
81.03325	0.2
82.04012	0.3
83.01278	1.2
83.02410	0.4
85.02843	2.3
87.00772	11.6
88.01131	0.3
89.02346	2.7
89.03860	0.5
91.05416	0.6
93.00840	0.4
93.03348	0.6
95.01296	0.5
96.00784	0.2
97.02853	0.8
97.03995	0.4
98.19868	0.3
99.00782	2.5
101.02337	1.8
105.01834	0.2
106.04115	0.5
107.01309	0.7
107.04939	3.7
108.02072	0.6
109.02872	0.5
109.03970	0.5
110.03508	0.3
111.00769	0.2
113.02377	1.0
117.01859	2.3
117.02563	0.3
117.03330	1.0
119.03523	0.3
120.01962	0.2
121.02888	0.6
122.03579	0.2
123.04378	0.2
125.02362	1.8
126.02718	0.3
129.01860	0.2
134.03667	9.5
135.04448	100.0
136.04784	7.1
137.02420	0.3
137.03450	0.3
138.03101	0.2
141.01859	1.0
151.00337	1.1
151.03915	0.7
152.04578	0.3
159.02960	0.7
161.04503	7.1
162.04832	0.2
164.01085	0.7
164.04752	0.5
169.01424	0.5
177.03987	0.2
179.00130	0.9
179.03470	20.0
179.05577	8.8
179.07091	2.0
180.03844	1.9
180.05962	0.3
180.07507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
58.00462	0.5
59.01266	15.9
63.02291	0.6
65.01315	0.5
65.99731	0.7
69.03352	0.8
69.35328	1.5
69.35745	2.9
71.01270	15.9
72.99202	1.1
73.02837	1.0
75.26422	0.5
81.03310	0.5
83.01279	1.4
84.04424	0.7
85.02843	3.5
87.00773	16.3
89.02339	7.7
89.60718	0.4
91.02942	0.4
91.05446	0.7
95.01292	0.9
95.02364	0.5
96.00828	0.6
97.02842	1.4
98.20578	1.0
99.00780	4.4
101.02369	3.5
106.04059	0.6
107.01336	1.3
107.04929	2.3
108.02072	0.6
109.03970	1.0
113.02357	1.9
117.01871	3.7
117.03393	0.9
120.01941	0.8
121.02899	0.5
123.04424	0.5
125.02354	2.4
134.03688	10.0
135.04451	100.0
136.04781	8.3
141.01875	1.5
151.00302	1.9
152.04614	0.6
159.02997	1.1
161.04524	11.6
161.05878	1.0
164.01152	1.5
164.04729	0.6
169.01294	0.5
169.94542	0.6
177.03981	0.6
178.99855	1.9
179.03467	17.6
179.05591	13.4
179.07050	1.0
179.10826	0.5
180.03986	1.1
180.05940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0609
Annotation	2-Propylmalate
Peak:m/z	Relative Intensity
57.03337	3.3
59.01265	83.7
68.99691	1.1
69.03352	3.1
69.44496	9.7
71.01270	9.4
72.99206	4.6
73.02834	4.2
75.00771	1.7
83.01295	1.9
85.02857	7.5
85.06474	10.9
87.00777	31.3
87.04416	2.3
88.01138	1.2
89.03458	5.3
95.01332	1.2
95.04938	2.9
98.20531	2.2
99.00821	1.6
101.02358	6.8
105.03717	2.7
108.24734	1.1
111.04433	10.5
112.93409	1.1
113.02357	4.5
113.05998	99.6
114.06348	6.1
115.00294	4.5
115.03926	100.0
116.04251	3.9
124.98748	2.0
129.05495	1.5
131.03429	2.3
131.07068	2.7
132.04063	1.5
155.03485	1.7
157.01360	3.7
157.03908	1.5
157.04964	8.8
175.06084	82.7
176.03389	1.5
176.06433	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	178.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31249	1.4
51.94754	1.6
57.03335	1.8
59.01263	41.9
63.02285	49.1
64.02588	1.9
65.00210	18.6
68.01271	1.9
69.03339	2.6
71.01269	38.7
71.06483	2.4
71.06850	3.8
72.99202	3.2
73.02834	5.6
83.01278	24.7
85.02845	12.7
87.00771	53.2
87.84656	1.7
89.02336	15.5
91.02911	1.7
95.01297	1.7
97.02834	3.9
99.00776	11.5
101.02344	7.0
102.02720	1.8
105.55383	1.6
107.01297	56.8
107.04940	7.0
109.02871	1.5
113.02336	3.1
115.21600	1.4
116.31425	1.5
117.01846	6.3
125.02316	4.4
134.03506	1.9
135.04443	43.2
135.69441	1.9
136.04926	2.4
137.03500	1.6
141.01894	4.9
151.00302	100.0
152.00638	7.4
159.02959	2.7
161.04506	27.3
164.01080	2.3
169.01385	48.1
170.01758	2.0
178.99823	84.5
179.03311	11.9
179.05582	31.8
179.06998	2.7
180.00171	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	175.0245
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
59.01271	70.5
68.99694	14.8
69.03334	5.0
71.01275	58.6
71.25903	10.6
72.99199	22.2
73.02828	11.5
75.00755	17.2
85.02835	22.4
85.06466	11.7
87.00778	57.2
93.03368	14.3
93.43565	4.4
94.87368	4.3
96.99217	5.1
99.00768	9.0
100.98709	100.0
108.65073	4.4
113.02344	5.1
113.05990	17.4
115.00299	34.7
115.03879	22.6
117.01880	6.1
124.98715	12.5
126.42980	4.5
127.97456	57.8
131.03400	14.1
131.04945	5.3
131.07019	6.0
136.01614	7.2
136.62976	4.6
142.99806	15.5
148.05045	5.8
158.73839	4.3
175.02461	14.1
175.03955	19.1
175.06252	27.6
175.07553	9.1
175.11249	4.4
176.03362	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	175.0245
Annotation	5-Dehydro-4-deoxy-D-glucuronate
Peak:m/z	Relative Intensity
51.07000	1.1
55.01769	5.3
57.03336	3.8
58.00481	1.3
59.01265	33.3
60.99162	1.2
63.46176	1.2
68.98002	1.1
68.99710	15.0
69.03339	6.1
69.16515	1.1
71.01271	34.9
71.55108	1.4
71.55482	1.6
72.00803	5.0
72.99196	21.1
73.02834	12.3
73.18015	1.2
74.03603	1.2
75.00765	27.0
83.01277	13.5
85.02843	22.8
87.00773	100.0
88.01114	3.4
89.02351	4.1
89.03461	13.2
94.74664	1.1
95.01290	4.6
96.89624	1.3
96.99217	3.4
98.59475	1.2
99.00780	24.5
101.02348	6.3
103.00261	5.7
111.00796	11.3
111.04426	4.3
113.02359	12.8
115.00287	26.2
115.01245	1.3
115.01392	1.1
117.01859	6.1
119.72792	1.2
124.98714	1.4
126.99406	2.3
127.00298	30.0
129.00977	1.7
129.01865	12.5
131.03409	3.2
132.04063	3.3
139.00305	5.6
145.01353	5.1
147.03047	1.2
157.01376	7.6
164.39218	1.2
175.02464	19.3
175.03931	1.6
175.06084	22.8
176.03378	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0815
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
57.03337	0.9
59.01266	91.1
60.01606	1.7
60.99190	1.7
61.98730	0.3
65.01356	1.4
65.03853	0.3
65.99734	0.5
67.01778	11.8
68.02101	0.5
69.03342	2.1
71.01279	3.3
72.99202	1.4
73.02836	2.7
81.03362	0.9
82.03996	0.3
83.04918	1.6
84.04420	0.3
85.02852	1.0
85.06483	19.1
86.06837	0.8
91.02917	0.5
93.03361	48.0
94.03703	3.1
98.20586	0.8
99.00766	1.7
99.04424	1.1
105.04467	0.4
106.04014	0.6
109.02916	0.5
111.00802	0.6
111.04437	8.1
111.08080	1.3
112.04752	0.4
113.05994	12.8
114.06332	0.6
115.03947	0.3
116.02417	0.3
119.02432	1.6
129.01901	0.4
129.09093	0.4
130.04086	0.5
130.06509	0.4
131.07068	100.0
132.05582	0.4
132.07399	5.7
137.02379	1.4
143.03484	0.4
145.04918	0.7
146.02579	0.4
146.03532	2.1
146.07153	0.4
148.24205	0.4
155.03464	1.4
159.03191	0.5
173.02325	0.5
173.04549	10.1
173.05864	0.5
173.08116	1.6
173.11768	0.6
174.05441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0815
Annotation	Suberic acid
Peak:m/z	Relative Intensity
50.00222	0.6
54.23690	0.5
57.03341	7.6
59.01264	3.7
60.99190	4.0
63.15593	0.5
64.01145	0.5
65.01340	3.2
65.03849	0.9
65.99729	1.7
67.01778	26.1
67.02872	0.6
68.02100	1.4
69.03345	6.4
69.37746	2.2
69.38173	2.5
71.01269	7.6
71.68724	0.5
72.99208	2.9
73.02841	5.4
77.01334	0.5
79.54845	0.5
81.03350	3.7
83.04915	16.5
84.05250	0.8
85.02843	2.3
89.01371	0.6
91.02900	0.8
92.02411	0.5
93.03362	98.9
94.03687	6.6
95.01272	0.7
97.02853	0.7
99.00789	4.0
99.04425	2.1
101.02328	0.6
105.04486	0.7
106.03996	0.7
107.30372	0.5
108.01984	0.7
109.02886	1.3
109.06503	4.1
111.00809	1.8
111.04436	16.9
111.08070	100.0
112.08398	7.3
115.03970	0.7
118.04011	0.8
119.02420	3.2
129.01866	1.0
129.09146	7.2
130.04007	1.2
131.03627	1.4
131.07069	1.1
132.05603	0.9
133.02725	0.5
137.02391	2.7
143.03477	1.0
145.02940	0.6
145.05058	1.0
145.30289	0.5
146.03539	4.8
146.40558	0.6
155.03461	1.7
155.07138	0.7
159.03105	0.9
173.02339	0.9
173.04576	17.0
173.08157	47.7
173.11819	1.2
174.05511	1.2
174.08517	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48152	0.5
53.00214	0.5
55.01774	2.1
57.03341	4.0
58.00449	0.5
59.01262	6.6
60.99194	3.3
67.01777	27.3
68.02116	1.1
68.99702	2.2
69.03350	4.8
71.01270	63.7
71.04898	1.0
71.53477	1.1
72.01598	1.8
72.99204	8.0
73.02835	7.9
75.00774	1.9
80.99709	0.5
81.03358	1.6
83.01280	6.3
83.04935	3.6
85.02845	10.3
85.06483	0.7
87.00767	4.9
93.03358	100.0
93.15352	0.4
94.03693	4.6
95.01286	0.9
96.99201	1.1
97.02873	0.5
99.00779	16.2
99.04430	1.5
100.01072	0.6
100.98711	2.0
101.02338	3.0
109.02850	1.6
110.60765	0.5
111.00788	5.8
111.04424	14.3
111.08081	4.4
112.04826	0.6
112.08394	0.4
112.98717	12.3
113.02310	0.5
115.00289	4.1
115.03928	1.0
124.97885	0.6
124.98735	10.5
127.03975	0.7
129.01866	3.2
129.05444	0.5
131.03650	0.8
131.08214	0.8
137.02385	2.3
140.98172	0.7
142.99800	23.8
144.00114	1.2
145.01329	1.6
154.99731	0.7
155.03412	3.7
155.06964	0.9
156.32422	0.5
159.03162	1.1
173.00938	6.9
173.04507	14.7
173.05994	0.9
173.08101	3.7
173.11792	1.5
174.01648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0088
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
50.12797	0.3
53.85551	0.3
54.72294	0.3
57.03337	0.9
58.02854	0.9
58.47157	0.3
59.01264	2.3
64.33687	0.3
67.01778	3.0
69.03326	0.4
70.92410	0.8
71.01267	8.2
71.04904	0.4
72.99186	1.2
73.02830	2.2
81.03345	0.6
83.01264	1.4
83.04918	0.8
85.02842	100.0
86.03187	3.7
87.00777	0.6
88.03925	0.7
88.94730	0.3
93.03362	11.0
93.78609	0.3
94.03676	0.3
96.99188	0.3
99.00783	3.0
99.04397	0.7
111.00790	18.0
111.04410	4.1
112.01125	1.1
112.98714	3.9
115.00304	0.6
124.98711	1.5
128.07056	0.3
129.01860	19.1
129.05511	0.6
129.10233	0.4
130.02217	0.9
130.05031	0.4
131.05388	0.4
131.08186	1.1
135.47838	0.3
137.02359	1.1
142.99808	5.4
154.99812	0.3
155.03395	1.6
173.00908	2.5
173.04492	4.7
173.08130	0.7
174.04958	0.3
174.07658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0088
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
50.88476	0.4
53.00201	0.7
55.01780	4.1
57.03335	5.9
58.00474	0.9
59.01265	8.8
60.99196	4.8
67.01778	28.9
68.02117	1.1
68.99711	3.5
69.03345	6.1
70.18837	2.0
71.01272	100.0
72.01602	3.0
72.99194	9.3
73.02834	10.1
75.00771	1.2
80.99727	0.7
81.03336	2.4
83.01276	10.9
83.04925	3.9
85.02844	8.6
85.06495	2.3
87.00775	7.7
93.03359	95.9
94.03689	4.0
95.01283	0.6
96.99214	3.8
97.02850	0.9
98.20466	0.6
99.00780	30.2
99.04387	2.5
100.01122	1.1
100.07586	0.6
100.98706	0.8
101.02338	2.5
101.05968	0.6
109.02866	1.4
111.00798	16.4
111.04434	19.6
111.08054	3.0
112.04783	0.6
112.98721	28.5
113.02348	0.9
113.99042	1.4
115.00296	4.5
115.03934	0.7
120.60583	0.5
124.98727	20.3
125.99328	0.7
129.01894	2.6
129.05499	2.7
130.04990	0.6
131.08200	0.8
137.02390	2.9
140.98277	1.0
142.99803	46.5
144.00142	2.3
145.01358	1.4
145.02899	0.7
154.99852	0.9
155.03452	5.4
159.03191	0.8
171.31912	0.5
173.00902	12.0
173.02350	1.2
173.04520	16.3
173.05983	1.1
173.08029	2.6
173.11789	0.6
174.01627	1.7
174.04887	1.4
174.07672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0976
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
55.01752	0.3
57.03335	1.6
58.02863	1.8
59.01262	6.2
60.99190	2.8
65.01333	1.7
65.03849	0.7
65.99760	0.4
66.00862	0.4
67.01778	19.6
68.20296	0.3
69.03342	3.6
69.32456	0.3
69.85928	1.6
71.01273	5.6
71.04931	0.5
72.99189	2.3
73.02832	4.0
75.00787	0.3
77.01304	0.3
81.03367	1.7
82.06521	0.3
83.01273	0.5
83.04919	3.4
85.02852	1.4
85.06482	0.8
87.00764	0.4
89.01364	0.4
91.02905	0.5
93.03358	74.1
95.01279	0.4
97.02856	0.4
99.00780	2.2
99.04420	1.2
101.02357	0.4
105.04462	0.3
106.04021	0.6
109.02827	1.0
109.04010	0.4
111.00755	0.6
111.04431	11.6
111.08075	1.9
113.02388	0.3
113.05968	0.5
115.00314	0.6
115.03919	0.5
115.91962	0.3
116.04981	0.3
118.04015	0.6
119.02413	1.1
128.10733	2.9
129.01881	0.6
129.75687	0.3
130.04024	0.8
130.08664	100.0
131.03542	0.8
131.07048	4.1
131.09006	5.1
132.05595	0.3
137.02377	2.2
143.03502	0.8
144.04483	2.7
145.02831	0.5
145.03992	0.4
145.05110	1.5
146.03558	2.0
155.03474	1.8
156.70329	0.3
172.02541	0.4
172.03990	1.7
172.06258	0.8
172.09703	15.0
173.02344	0.7
173.04521	11.1
173.06000	0.7
173.08115	1.4
173.10085	0.9
173.11832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	4.6
57.03335	6.0
57.41933	1.7
59.01263	4.9
60.99197	3.9
66.03374	36.0
67.01774	28.5
67.55606	1.4
68.01306	2.6
68.99694	3.4
69.03338	4.1
69.42663	13.6
71.01271	28.7
72.04438	6.2
72.99197	21.5
73.02839	18.4
74.02351	3.4
75.00773	1.4
79.13823	1.3
81.03349	4.1
82.02892	11.9
83.01292	9.7
83.04935	6.7
85.02844	52.5
86.05967	1.8
86.84834	1.5
87.00774	50.2
93.03358	100.0
98.02384	2.7
99.00788	15.8
99.04446	1.8
100.03951	7.7
100.19458	1.5
101.02355	4.4
109.02862	2.7
110.02392	87.3
110.06046	2.0
111.00794	52.9
111.02718	4.9
111.04420	24.5
111.08062	4.6
112.00285	13.0
112.98734	4.9
115.00301	7.2
124.30103	1.5
124.98760	3.1
126.05547	2.0
127.00304	6.2
128.03432	4.2
128.07077	8.7
129.01862	14.4
130.05028	33.1
131.08235	2.4
137.02354	4.7
142.99809	9.2
154.01405	1.6
154.99812	11.8
155.03416	8.0
160.58432	1.6
172.02480	28.0
172.06104	11.4
172.10577	2.6
173.00951	9.4
173.02280	2.6
173.02997	1.8
173.04491	15.6
173.08124	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	172.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
58.02866	1.6
59.01268	2.8
60.99195	1.1
65.01331	0.7
65.99728	0.4
67.01779	7.1
69.03347	1.3
70.35614	0.8
71.01276	1.8
72.99192	0.7
73.02843	1.3
80.59659	0.2
81.03355	0.6
82.06503	0.5
83.04919	1.0
85.02835	0.6
85.06467	0.5
85.10624	0.2
89.01342	0.2
91.02901	0.3
93.03362	26.3
95.01269	0.2
99.00783	1.2
99.04421	0.6
101.02360	0.3
102.00971	0.2
106.03998	0.2
109.02859	0.4
109.04007	0.2
111.00795	0.2
111.04437	3.5
111.08028	0.7
113.06013	0.4
115.00310	0.2
118.04061	0.5
119.02430	0.7
125.17654	0.2
128.10736	2.3
129.01860	0.2
129.05484	0.2
130.08669	100.0
131.03557	0.2
131.07091	1.8
131.08147	0.3
131.09021	5.1
137.02376	0.6
143.03558	0.3
144.04485	0.6
145.02843	0.2
145.04002	0.3
145.05103	0.6
146.03540	0.9
155.03403	0.5
172.03905	0.3
172.09747	15.0
173.04561	3.9
173.08141	0.7
173.10126	1.0
173.11559	0.3
194.26492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1024
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
52.01853	0.4
57.03340	0.7
57.45881	0.4
59.01261	1.8
65.01336	3.9
65.99749	0.7
68.99716	0.6
69.03333	0.5
69.95958	0.4
71.01279	0.4
71.60693	0.4
71.61093	0.7
73.02847	0.8
76.46105	0.4
79.02883	0.4
83.01296	0.4
85.02893	0.8
89.01344	3.1
97.02869	1.0
97.99767	0.5
99.08128	0.4
103.03000	0.6
105.04509	2.0
106.03989	1.4
109.02855	1.0
109.04028	0.8
109.06493	0.8
110.31631	0.4
111.00734	0.4
111.08073	0.8
115.91964	0.7
117.04542	0.6
118.04077	0.6
125.09651	2.9
127.07561	3.1
127.11216	6.1
127.99285	0.6
128.05653	0.4
129.04443	0.4
130.04071	2.8
130.08672	1.1
131.03546	0.7
144.01996	0.8
144.04459	0.9
144.05602	4.7
145.04059	0.6
145.05104	1.0
153.09175	1.8
171.01881	3.7
171.03183	1.0
171.06903	5.8
171.10234	100.0
172.05070	1.2
172.06277	1.7
172.10574	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	171.0295
Annotation	5-Methylmaleylacetate
Peak:m/z	Relative Intensity
52.33806	0.3
54.34705	0.3
57.03336	0.8
59.01273	2.1
60.07600	0.3
65.00183	0.5
65.03847	9.4
66.03376	3.5
66.04170	0.5
67.01775	4.3
68.99706	2.2
69.03344	8.2
71.01270	9.3
71.04906	1.6
71.57695	0.6
71.97525	0.3
72.99201	3.6
73.02811	0.6
78.95796	21.5
80.07329	0.4
81.03349	23.0
82.02859	0.9
82.03686	1.1
83.01280	1.1
83.04911	1.4
83.83579	0.3
85.02856	3.0
85.99983	0.4
87.00782	5.3
91.01795	1.4
95.01302	1.2
96.95942	4.9
96.96865	28.0
96.99226	0.8
97.02851	1.9
98.02370	0.4
98.20114	0.4
99.00768	2.0
99.04427	4.0
100.03933	1.0
100.04745	0.3
104.19508	0.3
108.02081	8.3
109.02865	100.0
110.02391	6.4
110.03210	5.1
111.00789	4.1
112.00332	1.1
113.02384	1.1
115.00302	0.5
124.98727	2.2
125.02366	3.9
125.09658	0.4
127.00343	1.1
127.03934	63.4
127.11191	0.5
128.04272	3.0
128.07143	0.5
130.05061	0.8
142.99812	0.7
143.03479	1.6
144.04501	0.4
152.95943	0.7
152.98236	2.0
153.01874	4.6
170.99324	1.4
171.00630	1.3
171.02986	12.0
171.10223	5.2
171.13905	0.4
172.02359	2.0
172.06195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34849	0.3
58.02863	100.0
59.01246	0.7
59.03213	1.8
61.98706	0.3
68.99707	0.6
69.03352	1.0
70.02876	0.6
72.88068	0.3
76.73833	0.3
81.03368	0.5
83.01305	0.4
95.01292	0.5
97.02861	1.5
97.06525	0.4
98.02426	0.2
107.01337	0.3
107.04924	0.3
108.02110	0.3
111.45687	0.3
125.02367	15.6
125.06030	0.7
125.09625	1.0
132.86754	0.6
153.01494	1.0
153.99026	0.3
160.42271	0.3
162.60654	0.3
168.03886	0.3
168.10295	0.3
168.13855	8.9
169.01375	6.3
169.05150	0.7
169.08742	0.5
169.12355	1.0
169.14249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01796	0.5
57.03339	1.2
58.02869	0.5
59.01268	3.0
62.91771	0.4
65.01333	3.4
67.86856	0.5
69.61754	3.4
71.01273	25.1
71.04911	2.5
72.01597	0.7
72.99184	1.6
73.02823	0.6
75.00768	0.6
81.02101	1.2
81.04485	0.8
83.01298	0.4
83.04931	1.0
85.02837	0.5
85.06479	2.3
86.02403	0.5
89.01348	2.5
90.00894	0.6
98.02381	2.9
98.06021	0.6
99.00794	0.6
99.04424	0.6
99.08065	1.1
100.03904	0.5
102.00916	0.7
105.04479	1.8
106.04041	0.7
108.08123	2.9
109.02839	0.9
109.06516	0.7
116.02470	1.2
124.07613	26.1
125.07922	1.6
125.09649	2.6
126.09140	1.4
127.03936	0.8
127.07562	4.3
127.11210	5.4
128.07118	0.7
129.03076	0.4
129.04523	0.5
130.02759	0.5
130.04027	1.8
137.03656	0.4
143.02472	0.9
143.03557	2.7
143.04570	0.6
144.01947	0.7
144.05630	3.6
153.09192	1.6
159.10941	0.4
168.06624	0.8
170.04611	2.0
170.08194	36.2
171.01933	3.8
171.06885	7.9
171.10228	100.0
171.13864	1.9
173.96880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0917
Annotation	(S)-(-)-Perillic acid
Peak:m/z	Relative Intensity
58.35290	0.3
59.01265	2.1
66.03374	0.7
71.01260	2.3
71.43150	0.7
72.99187	0.8
73.02837	0.7
77.03847	1.8
81.03372	0.3
82.03989	0.7
85.02837	1.1
86.51241	0.3
89.02338	1.1
92.99714	0.5
93.03355	3.4
94.02882	0.4
97.02860	0.6
97.03938	0.3
98.31161	0.3
101.02325	0.7
103.03922	0.4
109.02855	1.0
119.04960	0.5
120.04472	0.4
121.02873	34.5
121.06498	0.7
121.10125	0.7
122.02378	0.5
122.03231	2.1
122.06036	1.1
123.00765	0.7
123.04451	0.7
124.03933	0.3
125.25792	0.4
135.04456	0.9
137.02359	3.8
137.06058	0.4
147.04474	2.0
147.06555	0.4
149.00864	0.6
150.03156	2.7
151.00287	0.9
164.83556	2.5
164.89520	1.6
165.01912	6.8
165.05502	3.7
165.09158	100.0
166.02585	0.4
166.04993	2.3
166.09497	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	165.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77663	0.7
59.01261	3.0
66.03367	0.7
71.01259	3.7
71.57964	1.1
72.99183	1.3
73.02843	0.9
77.03862	3.4
85.02847	1.4
87.00777	0.8
89.02346	2.2
92.99698	1.1
93.03365	8.9
93.99277	1.3
94.03691	0.9
95.01263	1.2
101.02326	2.2
103.03979	0.7
107.04942	1.2
108.02091	1.1
108.04466	1.5
109.02870	3.3
119.04935	2.6
121.02874	100.0
121.06516	2.4
121.10159	8.6
122.02394	1.4
122.03136	6.2
122.05994	1.4
122.10553	0.8
123.00821	1.2
123.04443	1.8
124.03967	1.3
135.04459	1.4
136.01599	1.1
137.02370	10.1
137.05972	1.4
138.02753	0.6
138.05536	1.1
147.04483	3.4
148.04843	0.7
149.00883	2.8
150.03183	6.7
151.00281	3.5
164.83563	9.9
164.89532	3.9
165.01883	21.7
165.04088	1.8
165.05528	9.5
165.07657	2.2
165.09157	7.2
166.02467	1.3
166.04996	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	165.0401
Annotation	D-Ribonate
Peak:m/z	Relative Intensity
55.01736	1.5
57.03349	1.3
59.01265	10.0
71.01273	8.5
71.61415	2.4
72.99203	7.2
73.02838	3.2
75.00765	49.4
79.70524	1.3
85.02853	1.6
85.54165	1.1
87.00774	100.0
88.01103	2.6
89.02345	3.5
91.38355	1.1
93.03368	1.6
99.00777	8.3
101.02348	4.0
105.01845	78.4
106.02198	1.6
117.01859	4.1
119.03387	1.4
120.59039	1.3
121.02876	3.5
129.01849	6.1
135.02957	3.0
137.02446	1.3
147.02939	8.3
150.03191	1.4
165.04001	59.4
166.04311	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	163.0759
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
59.01263	0.4
64.94520	0.2
65.03834	0.2
65.18299	0.2
65.99743	0.4
69.25994	1.3
69.26426	0.9
71.01276	1.0
82.03999	0.5
85.02830	0.2
91.05424	1.1
93.03345	0.3
119.01295	0.2
119.04951	4.6
120.05342	0.3
121.02850	1.4
121.05130	1.8
122.03629	0.4
133.39008	0.2
135.04449	1.6
136.05116	0.3
145.02977	0.2
147.04469	3.0
148.05246	100.0
149.02382	0.8
149.05586	7.6
162.89328	0.4
163.00351	0.6
163.03963	1.8
163.06204	0.5
163.07588	5.2
163.08951	0.4
164.04561	0.4
164.07939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0713
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
59.01270	1.3
65.99742	0.7
70.74451	1.6
71.01270	1.4
72.00797	38.8
72.99200	0.7
73.02805	0.5
74.02414	0.5
75.00776	0.6
77.03868	0.8
78.95817	0.6
81.03340	0.6
83.48047	0.5
85.02811	0.7
87.00799	0.6
89.02379	1.3
91.05437	1.1
92.04956	0.8
93.03376	2.6
95.01259	0.6
95.02378	0.5
101.02380	1.3
103.05430	0.5
107.52600	0.5
109.02829	0.8
119.04945	2.4
120.04471	2.3
120.05305	3.3
121.02871	12.5
121.06545	0.8
121.35064	0.4
122.03616	1.4
123.04454	0.7
130.00374	0.5
132.67679	0.5
135.04486	0.9
136.03976	1.2
136.13921	0.5
137.02365	2.8
137.03436	1.0
147.04460	100.0
148.04800	8.7
149.00981	1.2
150.03123	2.9
164.00941	0.6
164.03459	1.6
164.07123	53.4
164.89445	0.8
165.01927	3.7
165.04109	1.0
165.05475	3.7
165.07497	4.3
165.09091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99483	0.2
59.01266	0.9
64.83165	0.1
64.95192	0.1
64.95991	0.1
65.01325	0.6
65.99744	0.8
66.00870	0.3
66.03400	0.2
67.02901	0.3
71.01261	0.4
71.35014	0.3
82.04005	0.8
83.02389	0.2
85.02841	0.2
89.43638	0.2
91.01785	0.5
91.02931	0.2
91.05442	0.2
92.02454	0.3
92.04961	1.7
93.00788	0.1
93.03358	1.5
95.02419	0.2
102.98493	0.4
105.04491	0.2
106.04018	0.3
109.04011	0.3
117.03389	0.2
117.39972	0.1
119.04950	100.0
120.02057	0.2
120.04456	2.8
120.05293	7.3
121.04021	0.4
121.05117	2.1
122.03522	0.5
123.01924	0.2
134.03545	0.2
135.00836	0.2
135.04445	0.5
136.01479	0.3
136.03975	0.6
136.05095	0.8
137.03499	0.6
140.59239	0.1
146.03462	0.3
147.04427	0.2
162.79349	0.1
162.89323	0.4
163.00334	1.5
163.03964	8.2
163.05971	0.7
163.07498	0.2
164.04575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21021	0.1
59.01260	0.4
59.37081	0.2
60.65322	0.2
70.89458	0.2
70.89820	0.5
77.27107	0.2
82.03993	0.3
85.02798	0.2
89.03377	0.2
91.01809	0.4
93.03348	0.9
98.19919	0.2
102.97249	0.2
105.68851	0.2
106.04089	0.2
119.04945	100.0
120.05272	6.6
121.03976	0.2
121.05126	0.9
135.00830	0.2
135.04454	0.2
136.05090	0.3
141.51698	0.2
163.00320	0.9
163.03955	9.1
163.06073	0.4
164.04355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0397
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
58.99483	0.2
59.01266	0.9
64.83165	0.1
64.95192	0.1
64.95991	0.1
65.01325	0.6
65.99744	0.8
66.00870	0.3
66.03400	0.2
67.02901	0.3
71.01261	0.4
71.35014	0.3
82.04005	0.8
83.02389	0.2
85.02841	0.2
89.43638	0.2
91.01785	0.5
91.02931	0.2
91.05442	0.2
92.02454	0.3
92.04961	1.7
93.00788	0.1
93.03358	1.5
95.02419	0.2
102.98493	0.4
105.04491	0.2
106.04018	0.3
109.04011	0.3
117.03389	0.2
117.39972	0.1
119.04950	100.0
120.02057	0.2
120.04456	2.8
120.05293	7.3
121.04021	0.4
121.05117	2.1
122.03522	0.5
123.01924	0.2
134.03545	0.2
135.00836	0.2
135.04445	0.5
136.01479	0.3
136.03975	0.6
136.05095	0.8
137.03499	0.6
140.59239	0.1
146.03462	0.3
147.04427	0.2
162.79349	0.1
162.89323	0.4
163.00334	1.5
163.03964	8.2
163.05971	0.7
163.07498	0.2
164.04575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
57.03346	0.3
59.01265	2.1
65.00201	0.4
69.26797	0.4
69.27216	1.1
71.01270	1.5
72.99195	0.2
73.02828	1.1
77.03873	0.2
81.03378	0.4
83.01282	0.7
85.02845	2.2
86.03229	0.2
87.00786	0.3
89.02325	0.7
89.03864	0.6
92.56487	0.2
95.01300	0.2
95.04941	0.6
97.02882	0.2
98.20562	0.3
101.02345	0.4
105.03377	0.4
113.02358	0.4
115.01818	0.3
117.03378	1.9
123.04450	2.5
131.03429	1.4
132.02107	1.9
133.02885	31.8
134.03224	2.3
139.96553	0.1
149.87474	0.1
161.02402	100.0
162.02740	8.8
183.36586	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.4
63.02249	0.2
65.01344	0.5
65.99729	0.7
66.03345	0.2
67.02914	0.3
71.01265	0.4
71.15533	0.2
71.15848	0.3
82.04009	0.5
84.51719	0.2
91.01807	0.6
92.02466	0.3
92.04954	0.4
93.03370	1.4
94.02876	0.2
95.02389	0.2
96.97675	0.2
106.04018	0.4
109.04001	0.4
116.30144	0.2
117.03407	0.3
119.04948	100.0
120.04487	0.4
120.05276	6.8
121.03972	0.4
121.05123	1.9
122.03518	0.6
123.01907	0.2
134.03555	0.3
135.00778	0.4
135.04485	0.3
136.05110	0.9
137.03494	0.7
146.03500	0.2
147.04495	0.3
162.89299	0.5
163.00339	1.3
163.03960	10.4
163.06189	0.7
163.07523	0.3
164.04474	1.1
164.07100	0.4
178.00314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	0.7
71.01287	0.5
73.02834	0.5
77.03860	0.9
83.01281	0.3
85.02853	1.2
89.02342	0.2
89.03849	0.7
95.04921	0.4
102.57317	0.1
104.02589	0.6
105.03360	1.9
108.46317	0.1
113.02381	0.3
115.01816	1.2
117.03415	0.3
123.04474	0.3
131.03430	0.4
132.02095	9.1
133.02879	100.0
134.03214	7.2
160.01604	0.4
161.02388	88.0
162.02733	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	159.1021
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
55.01776	0.6
57.03350	0.8
59.01253	1.9
65.01326	1.2
65.99715	0.5
66.31417	0.5
68.99696	0.6
69.03365	0.7
71.01266	2.4
73.02840	3.3
83.01292	0.8
84.19845	0.6
85.02825	1.0
87.00791	0.8
89.01325	1.2
90.00892	0.8
91.02927	1.6
97.02891	0.6
97.06470	1.2
99.00771	1.3
101.02371	1.2
106.04016	1.9
106.30272	0.6
109.92145	0.5
111.00813	0.8
111.08058	2.2
113.09635	100.0
114.09982	6.7
115.07556	0.8
116.02475	1.0
116.04949	0.5
116.92790	1.1
118.03992	0.7
118.12597	0.6
119.04829	0.7
124.74963	0.5
129.01862	2.0
132.02037	0.6
132.05577	2.6
133.04018	1.4
133.05077	1.2
141.09149	2.3
157.08649	1.4
158.89261	0.8
159.02988	3.4
159.06651	1.8
159.10216	67.1
159.89337	1.0
160.05119	1.4
160.10561	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	159.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51400	0.5
56.57629	0.5
57.03340	1.2
57.05095	0.5
59.01267	2.9
65.01322	2.0
65.84885	0.5
65.99744	1.1
66.00853	0.7
68.99715	0.9
69.03337	2.1
69.72089	3.4
71.01278	3.6
72.56516	0.6
72.99199	1.1
73.02840	4.9
73.89240	0.5
74.02362	1.0
75.00754	1.1
81.03363	0.9
83.04919	1.4
84.20647	0.5
85.02840	1.9
87.00781	3.0
89.01344	1.3
90.00883	2.9
91.02915	1.6
95.04926	22.0
96.05251	1.1
97.02849	1.5
97.06495	100.0
98.06822	5.0
99.00790	2.6
101.02361	1.3
106.04025	1.3
111.00793	3.2
113.02366	1.8
115.00296	0.6
115.07567	31.4
116.02468	0.8
116.07918	1.5
117.01926	0.5
118.03981	0.8
119.02458	0.6
119.04793	0.9
123.38529	0.5
129.01862	1.9
130.04135	0.6
131.03587	1.0
132.01982	0.7
132.05634	1.9
133.03995	1.8
133.05106	0.7
141.05525	2.3
144.04303	0.6
159.03050	7.4
159.06598	35.3
159.10207	1.5
160.03909	0.8
160.05144	1.2
160.06946	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	159.0659
Annotation	Pimelic acid
Peak:m/z	Relative Intensity
54.51400	0.5
56.57629	0.5
57.03340	1.2
57.05095	0.5
59.01267	2.9
65.01322	2.0
65.84885	0.5
65.99744	1.1
66.00853	0.7
68.99715	0.9
69.03337	2.1
69.72089	3.4
71.01278	3.6
72.56516	0.6
72.99199	1.1
73.02840	4.9
73.89240	0.5
74.02362	1.0
75.00754	1.1
81.03363	0.9
83.04919	1.4
84.20647	0.5
85.02840	1.9
87.00781	3.0
89.01344	1.3
90.00883	2.9
91.02915	1.6
95.04926	22.0
96.05251	1.1
97.02849	1.5
97.06495	100.0
98.06822	5.0
99.00790	2.6
101.02361	1.3
106.04025	1.3
111.00793	3.2
113.02366	1.8
115.00296	0.6
115.07567	31.4
116.02468	0.8
116.07918	1.5
117.01926	0.5
118.03981	0.8
119.02458	0.6
119.04793	0.9
123.38529	0.5
129.01862	1.9
130.04135	0.6
131.03587	1.0
132.01982	0.7
132.05634	1.9
133.03995	1.8
133.05106	0.7
141.05525	2.3
144.04303	0.6
159.03050	7.4
159.06598	35.3
159.10207	1.5
160.03909	0.8
160.05144	1.2
160.06946	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	158.9388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72963	0.7
55.01773	0.7
57.03330	2.6
58.36573	0.6
59.01270	26.5
60.82795	0.6
61.01681	0.9
61.98693	1.2
68.99695	2.1
69.03349	1.0
70.54753	1.2
70.55153	1.4
71.01267	6.7
72.99207	1.8
73.02853	4.8
76.67264	0.6
83.01281	2.1
85.02859	4.0
86.95334	2.8
87.00763	3.1
88.03950	2.0
93.94381	0.6
94.59445	0.7
95.01276	0.9
95.04914	0.9
97.02855	2.2
97.06507	3.5
99.00781	5.2
99.92490	36.0
100.92480	3.4
101.02344	3.5
102.83069	0.6
111.00795	3.8
113.02357	2.2
113.09652	0.9
114.91933	10.5
114.94849	25.1
115.03919	0.7
115.07556	1.6
115.91967	0.8
115.94865	2.7
116.04996	0.8
116.92776	100.0
117.92787	8.1
118.85660	0.6
125.86829	0.7
129.01865	4.8
141.01897	1.2
158.89287	3.4
158.93884	15.1
159.02974	7.9
159.04295	1.2
159.06587	2.6
159.10222	2.2
159.89346	4.7
159.93910	1.1
160.04042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0818
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
55.01775	2.7
55.66398	0.3
55.79338	0.4
57.03333	2.0
58.02863	2.5
59.01266	6.1
68.99715	1.0
69.03339	1.8
71.01271	6.5
71.04897	0.7
71.55441	0.7
72.99210	1.1
73.02834	3.4
75.00765	0.7
83.01279	1.6
84.04455	0.6
85.02843	3.7
85.06505	0.4
86.02364	0.4
86.06030	1.5
87.00780	2.6
87.04440	0.7
90.00888	0.4
97.02851	3.1
97.06490	2.1
99.00780	4.2
100.29768	0.4
101.02363	2.5
111.00781	2.4
112.03979	1.1
113.02356	1.2
113.06041	0.7
114.05540	2.2
114.09151	6.4
114.09901	0.4
115.03921	1.4
115.07553	1.4
115.09585	0.4
116.07088	100.0
117.05492	0.5
117.07426	4.6
128.00583	0.4
129.01852	2.8
131.03531	0.6
140.80956	0.3
141.01854	1.3
147.92590	0.3
150.41014	0.3
158.04539	0.9
158.08157	19.0
158.89252	1.4
159.02951	5.2
159.04277	0.5
159.06615	3.0
159.08492	1.3
159.10202	1.2
174.49217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0866
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
51.03680	0.9
57.03341	2.3
58.02855	1.4
59.01265	22.5
65.01337	14.0
65.99718	1.7
66.00850	1.8
67.05405	1.0
68.99711	2.1
69.03357	2.1
71.01272	16.2
72.99228	1.8
73.02857	0.9
78.26295	0.9
83.01293	1.4
83.04890	2.5
84.99200	2.2
85.02827	3.0
87.00758	2.6
89.01361	8.4
90.00868	2.0
91.02916	4.2
92.02460	1.6
95.04916	2.1
97.06507	1.2
98.20495	2.4
99.00797	5.4
102.00887	1.5
103.02907	1.5
105.11800	0.9
109.06496	7.4
111.00789	2.1
111.08067	4.7
113.06013	5.2
113.09637	1.5
115.00303	6.7
115.02952	3.6
115.05087	1.2
116.02444	3.1
116.07108	1.4
118.04037	2.5
118.05267	1.1
121.06520	1.5
127.00298	10.9
127.07575	43.5
128.07950	3.3
130.04045	41.5
130.04955	1.5
130.06577	1.9
131.02519	1.8
131.03558	11.7
131.04410	2.3
138.59044	1.0
139.00357	1.6
139.07584	28.4
140.07922	1.9
156.89433	2.8
157.01407	2.7
157.03854	1.8
157.05142	38.3
157.08650	100.0
157.12289	4.7
158.03572	7.7
158.04674	4.0
158.05951	5.4
158.09079	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	157.0502
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03327	2.0
59.01264	4.1
65.01339	5.9
65.99737	0.9
67.01764	0.7
68.99715	2.9
69.03342	2.4
71.01266	3.7
71.55823	1.1
72.99200	0.8
73.02843	1.2
75.00787	0.7
83.01289	0.9
83.04921	0.8
85.02844	4.1
85.06498	0.6
86.02401	0.8
87.00782	3.2
89.01353	3.3
91.02909	1.2
95.01280	1.0
95.04916	2.0
96.99189	1.0
97.06452	0.9
99.00789	4.7
103.02998	0.6
106.04051	0.8
111.00793	1.9
111.08067	1.6
113.05997	100.0
113.09662	1.8
114.06317	5.5
115.00279	4.3
116.02470	1.3
116.07076	0.9
118.04015	1.1
119.68727	0.6
127.00296	11.9
127.01235	0.8
128.00645	0.7
128.04930	0.6
129.01843	0.8
130.04024	10.0
130.06566	1.7
131.03546	4.6
131.04399	1.0
139.00327	3.9
156.89424	0.7
156.96939	0.8
157.01361	4.0
157.02470	1.2
157.05081	25.9
157.08641	10.0
157.12315	4.8
158.03535	3.8
158.04657	1.9
158.05965	3.3
158.08035	1.4
160.76669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1074
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
52.37381	0.5
55.01770	1.2
56.66340	0.6
57.03333	0.9
57.63657	0.5
58.02855	1.9
59.01261	2.4
65.01331	2.0
66.58482	0.5
69.45002	1.9
69.45432	2.1
70.02866	0.6
71.01280	0.8
72.07899	0.4
73.02847	0.5
73.03973	0.4
74.00249	0.6
77.53937	0.5
82.03992	0.7
83.01282	1.9
83.02401	0.6
83.04929	1.4
84.00790	1.0
84.04446	4.5
85.02869	1.4
86.02386	1.1
89.01365	0.7
93.03374	2.6
95.01326	0.5
96.00802	4.1
97.02836	0.5
97.03957	0.5
98.02392	0.8
99.04434	0.7
101.01373	0.9
102.00873	1.0
111.00801	0.9
111.01888	0.6
111.03251	0.6
111.04447	2.4
111.05554	0.7
111.08065	1.5
112.03979	1.0
113.02383	0.7
113.03463	1.1
114.00893	0.9
114.05522	6.9
114.06675	0.7
115.02900	0.8
127.00271	1.8
128.02467	1.5
128.03429	0.8
129.04500	1.9
137.02444	0.8
140.01111	2.5
154.99812	1.4
155.02533	0.8
155.03572	9.4
155.10725	100.0
156.02979	0.6
156.04366	0.9
156.05614	4.9
156.06638	1.0
156.11055	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	153.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.3
58.02851	2.0
59.01265	25.3
60.99184	2.1
65.01339	2.6
65.03839	0.8
65.99728	3.2
66.03358	2.5
67.01752	1.0
67.02859	1.6
68.01301	1.7
68.99708	1.4
69.03341	2.0
69.82892	1.8
69.83307	2.4
72.99197	1.5
81.03339	5.7
81.04456	1.3
82.02869	5.2
82.03997	2.0
83.01280	3.2
83.02405	2.6
83.04929	1.1
84.00816	0.8
85.03964	1.7
91.01768	1.2
93.03284	0.8
95.02423	1.8
96.99216	0.8
97.02856	1.3
98.02372	1.1
98.19791	1.0
106.47182	0.8
108.02080	6.6
109.02862	100.0
109.06502	2.7
110.00003	10.4
110.02399	1.9
110.03220	5.7
110.04360	0.9
111.00804	1.4
111.01926	2.1
111.04459	0.9
111.05589	1.7
112.00322	1.1
112.03957	0.9
112.05080	2.1
119.38850	0.7
123.00820	1.7
123.04462	5.6
123.08090	1.1
124.01594	1.5
124.03970	2.2
124.05016	1.4
125.02370	8.2
125.03313	1.3
126.01846	1.6
127.05074	2.3
129.45314	0.8
133.34244	0.8
135.08081	3.0
136.03973	1.2
137.99507	12.3
138.02074	2.0
138.06818	0.9
139.00288	2.3
151.00287	1.5
151.11209	4.5
153.01880	41.7
153.02930	1.9
153.04482	1.0
153.05502	4.9
153.06601	1.2
153.09143	15.4
153.10280	1.2
153.12782	13.5
153.99753	0.7
154.01248	1.4
154.02328	2.3
154.03972	1.4
154.05052	2.7
154.06152	1.4
154.09537	1.0
154.13124	0.9
154.58334	0.7
170.61955	0.7
171.13820	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	151.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40298	0.7
54.24841	0.8
55.01766	5.3
57.03320	2.6
58.00478	2.2
59.01265	53.4
60.01598	1.4
60.90775	0.8
63.96127	6.7
66.03371	3.2
71.01271	100.0
71.57686	0.7
72.01610	2.1
72.99187	2.7
73.02837	35.2
75.00754	1.1
78.98486	20.5
79.01749	0.7
81.03343	0.8
82.17731	0.7
83.01266	4.3
83.65773	0.8
84.20181	0.7
85.02843	11.5
87.00766	3.8
89.02338	57.4
90.02680	2.0
91.02827	0.8
91.03892	1.9
93.03259	0.7
95.01269	1.7
97.02886	1.1
101.02350	71.7
102.02670	3.5
103.03903	1.7
107.04930	3.4
108.02070	3.2
108.04478	2.4
109.02831	1.0
109.03965	0.8
113.02360	2.3
115.03934	1.3
117.01853	17.8
118.89893	1.1
119.03426	5.6
122.03630	2.3
123.00792	1.6
123.04443	10.4
124.03932	0.8
131.03413	4.1
133.05000	9.5
134.03514	2.5
134.05298	0.8
136.01593	29.5
137.01932	2.2
149.04495	2.4
151.00418	1.2
151.04025	21.4
151.06058	56.8
152.01085	1.3
152.03429	2.0
152.04495	1.3
152.06425	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	151.0607
Annotation	L-arabitol
Peak:m/z	Relative Intensity
53.76935	0.8
55.01773	5.6
57.03335	2.3
58.00470	2.8
59.01266	47.9
63.02286	1.1
63.96124	3.3
66.03371	2.4
69.03326	1.0
69.62051	5.9
71.01270	100.0
72.01607	3.3
72.99191	4.0
73.02839	37.2
75.00735	1.1
78.98482	11.7
79.01780	1.0
82.03764	0.9
83.01284	2.8
85.02850	7.7
87.00784	2.9
89.02339	52.0
90.02670	2.0
90.36003	1.0
91.03883	1.9
93.03387	1.2
95.01282	3.3
101.02345	64.0
102.02686	2.7
103.03897	2.2
107.04927	5.1
108.02060	5.2
108.04474	2.5
109.02822	1.4
110.50443	0.9
113.02384	2.3
115.03889	1.1
115.37048	1.0
117.01859	16.0
119.03410	5.4
121.02833	1.4
122.03625	4.5
123.00790	2.3
123.04440	14.6
124.01527	1.6
124.04759	1.1
131.03412	4.1
133.04979	6.6
134.03574	2.0
136.01598	41.3
136.80428	1.0
137.01913	3.1
149.04506	2.6
151.00455	1.3
151.02682	1.2
151.03998	26.6
151.06056	48.5
152.01094	2.2
152.03371	2.8
152.04471	1.9
152.06306	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	151.0396
Annotation	Vanillin
Peak:m/z	Relative Intensity
51.32438	0.1
55.01749	0.3
57.03316	0.2
58.00463	0.2
59.01265	4.4
63.02247	0.5
65.00175	0.2
65.01334	0.9
65.99743	1.1
66.00846	0.2
66.03380	0.7
67.01763	0.3
67.02892	1.1
68.01294	0.8
68.99677	0.3
69.03314	0.5
71.01268	7.6
71.54982	0.2
72.01595	0.3
72.04440	1.4
72.99174	0.4
73.02834	1.4
78.98474	0.4
79.01760	0.3
79.05396	0.1
80.04943	0.2
80.96387	0.2
81.03342	0.3
81.04448	0.8
82.02882	0.7
82.03987	0.5
83.01275	0.6
83.02400	0.7
85.02845	0.9
87.00757	0.4
89.02337	5.3
90.02634	0.1
91.02894	0.3
91.03881	0.2
92.02512	0.2
93.03338	0.5
94.02901	0.1
95.00814	0.1
95.01294	1.4
95.02392	0.4
95.04928	0.3
96.00799	0.2
97.02829	0.3
97.03950	0.2
98.02364	0.3
101.02349	5.3
102.02659	0.2
105.03365	0.1
106.04017	1.1
107.01290	0.3
107.02403	0.3
107.04939	2.0
108.02074	5.9
108.04461	0.5
109.00333	0.2
109.01637	0.2
109.02856	0.5
109.03986	2.3
109.05132	0.2
109.99068	0.4
110.02383	0.6
110.03496	1.2
111.01913	0.8
113.02357	0.5
117.01841	0.4
119.03413	0.6
121.02865	0.4
121.03953	0.2
122.03634	1.1
123.00787	1.1
123.01810	0.2
123.04453	4.0
123.05425	0.3
124.00312	0.2
124.01542	0.4
124.03954	0.4
124.04968	0.5
125.02589	0.2
125.03519	1.1
131.03421	0.3
133.04008	0.2
133.04961	0.3
134.02486	0.2
134.03514	1.9
136.01598	100.0
137.01923	6.7
139.34218	0.1
151.00328	0.4
151.03963	17.9
151.05959	3.6
151.07413	0.3
151.11197	0.2
152.00052	0.9
152.01274	0.7
152.03455	0.8
152.04532	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.045
Annotation	Ribulose
Peak:m/z	Relative Intensity
57.03303	0.7
59.01264	14.0
61.26260	0.5
69.03333	2.3
70.25332	2.7
71.01268	32.9
72.01581	0.9
72.99196	10.6
73.02838	18.9
74.03156	0.6
75.00763	54.4
76.01105	1.6
85.02837	1.4
87.00776	13.1
87.03255	1.0
89.02337	100.0
90.02651	2.8
98.19892	0.6
101.02349	1.5
103.03910	6.5
121.02886	3.9
131.02446	1.2
131.03430	10.7
132.03760	1.2
133.01480	3.3
149.02477	2.0
149.04504	60.9
150.03056	1.0
150.04842	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	148.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01812	1.3
65.01337	3.9
65.99747	2.4
69.44456	8.0
69.44879	4.4
89.02338	1.6
93.03381	2.8
103.05380	1.5
105.03381	3.5
106.04007	4.6
117.22372	1.2
119.04909	3.2
121.02862	22.8
137.05431	1.4
147.04463	21.5
148.05244	100.0
149.02390	2.0
149.04486	3.2
149.05652	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	147.0446
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
59.01258	16.9
65.01323	19.0
65.99729	6.3
70.60537	15.0
70.78472	3.5
70.85143	3.7
71.01268	28.1
72.99202	4.6
75.00771	8.8
77.70790	4.9
79.02901	6.0
85.02879	5.6
89.02345	5.1
93.90937	4.1
99.00793	16.6
101.02354	4.7
105.04474	9.4
106.04009	8.1
119.04983	8.6
120.05688	4.3
120.06545	7.0
121.04076	6.4
147.03040	8.3
147.04453	100.0
147.06537	8.2
148.05067	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	147.0446
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
57.03340	0.6
59.01267	2.5
60.59098	0.4
65.01328	4.8
65.99739	2.5
66.00871	0.4
67.02882	0.7
68.01314	0.7
68.99702	0.4
69.93784	1.9
71.01268	4.9
72.99205	0.5
75.00767	1.6
79.02907	1.4
81.04469	0.6
82.03993	0.4
85.02833	0.5
87.00751	0.4
89.02358	0.6
90.00902	0.5
91.02901	0.8
92.02449	0.9
93.03355	1.4
98.19836	0.5
99.00785	2.5
105.04496	2.2
106.04009	3.3
107.02471	0.4
118.04077	0.4
119.02401	0.5
119.04942	6.9
120.00997	0.4
120.01954	2.6
120.04446	0.7
120.05483	0.8
121.00420	0.4
121.02940	0.5
121.03989	2.5
129.03407	3.0
132.01974	0.4
147.04451	100.0
148.01494	0.6
148.04924	14.6
148.18303	0.4
160.68736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0454
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
51.85950	2.2
57.14001	2.2
59.01257	4.5
63.61997	2.4
63.93552	2.7
65.02876	2.3
66.72259	2.4
67.44914	2.8
71.01279	7.2
71.53466	3.7
71.53847	3.1
72.99191	2.2
74.02354	5.8
82.02908	2.6
82.57213	2.3
85.02837	4.8
99.00804	3.0
100.73097	2.9
102.05516	100.0
103.05856	3.9
106.94714	2.7
128.03464	35.4
128.05388	3.4
129.03789	6.0
146.02307	4.3
146.04527	15.0
147.04471	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0294
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
57.03341	26.7
59.01266	7.5
67.38330	1.4
68.38680	1.4
70.96584	3.0
71.01270	7.6
71.04857	1.4
72.99194	15.6
73.02834	6.7
75.66502	1.2
85.02845	100.0
86.03181	3.6
87.00773	98.0
88.01112	3.0
99.00771	2.1
99.50436	1.2
101.02343	6.4
101.05956	2.1
103.03902	13.5
107.17538	1.2
115.00256	1.3
117.01827	1.2
129.01862	34.0
130.02246	1.6
147.02937	44.0
147.06586	2.2
148.03285	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	145.0613
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
55.01760	4.0
55.90693	2.6
58.02860	9.4
59.01262	16.7
67.59614	2.7
70.02893	3.1
71.01274	45.2
71.27935	6.1
72.00790	6.9
72.01644	2.5
72.99193	8.6
73.02829	6.3
74.02362	20.5
74.36563	2.4
82.02885	9.6
83.01277	11.4
83.04939	5.4
84.04441	26.0
85.02837	3.1
86.02382	5.8
87.00774	20.5
98.02381	5.7
99.00790	13.8
101.05990	6.5
101.07108	13.1
102.05518	100.0
107.02393	4.0
109.04006	24.6
115.00294	15.5
116.03429	2.9
118.02896	6.7
125.03493	14.5
127.00288	9.5
127.05059	63.8
128.03459	66.6
145.01373	22.1
145.05002	6.9
145.06094	47.8
146.02464	16.3
146.04518	18.5
146.06383	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	145.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	11.8
57.03328	19.6
59.01266	33.6
70.24304	14.0
70.24694	10.5
71.01271	85.9
72.99199	20.1
73.02838	16.5
74.02348	12.8
83.01278	25.1
83.04886	6.3
84.04438	8.5
85.02863	5.8
87.00764	58.6
99.00784	11.1
101.02350	76.4
102.05517	100.0
110.51326	5.5
115.00285	79.7
127.00298	33.0
127.05054	11.9
128.03465	54.9
145.01369	57.6
145.06097	11.2
146.02391	15.7
146.04486	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	145.0137
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
55.01757	11.8
57.03328	19.6
59.01266	33.6
70.24304	14.0
70.24694	10.5
71.01271	85.9
72.99199	20.1
73.02838	16.5
74.02348	12.8
83.01278	25.1
83.04886	6.3
84.04438	8.5
85.02863	5.8
87.00764	58.6
99.00784	11.1
101.02350	76.4
102.05517	100.0
110.51326	5.5
115.00285	79.7
127.00298	33.0
127.05054	11.9
128.03465	54.9
145.01369	57.6
145.06097	11.2
146.02391	15.7
146.04486	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	144.0448
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
56.39338	0.2
71.35368	0.5
76.96477	0.2
95.24103	0.2
99.08064	1.0
99.46375	0.2
101.05965	0.4
116.04993	1.5
116.92387	0.2
117.01997	0.2
117.03371	0.6
118.04028	0.9
118.76966	0.2
125.59315	0.2
126.03429	0.7
142.02881	0.3
144.04486	100.0
145.02922	0.4
145.04848	9.1
145.08670	0.4
154.04845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00205	13.4
53.45301	3.6
53.78057	2.9
55.01760	6.4
57.03341	4.9
57.19733	3.0
59.01253	19.9
64.32739	3.5
67.20667	3.2
68.99711	6.2
69.03344	10.8
71.01273	95.1
71.58681	6.1
72.01599	4.6
72.99215	7.9
73.02857	4.6
79.10490	3.3
80.99692	6.8
81.03355	9.8
82.02871	10.5
83.01288	7.7
83.04951	3.9
85.02848	31.1
87.00778	17.7
96.99220	15.9
97.02823	7.5
97.06496	4.7
99.04400	8.2
102.05522	3.8
112.98725	28.8
113.02330	3.9
115.00304	6.9
124.98737	56.9
125.02367	8.6
126.01911	3.9
140.98203	4.1
142.99799	100.0
143.03479	16.9
143.07069	6.8
143.10741	22.5
144.00194	6.8
144.04524	27.0
144.06606	7.1
147.15451	3.5
154.28639	3.5
155.98343	3.5
156.91312	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	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00210	14.0
55.01757	1.9
57.03333	2.6
59.01265	12.7
68.99699	4.9
69.03336	4.8
70.54713	4.1
71.01270	55.6
71.04897	3.9
72.01630	1.5
72.99207	4.1
73.02821	2.4
80.99721	5.1
81.03343	3.1
82.02862	3.3
83.01276	4.5
83.04926	1.8
84.02058	1.6
85.02842	17.3
87.00765	14.5
87.04424	2.1
89.01347	2.8
96.99219	16.4
97.02855	4.7
97.06495	3.6
99.00755	2.1
99.04428	7.0
99.08087	2.0
102.05489	1.6
105.39028	1.6
105.48749	1.7
111.00802	6.9
112.98711	25.8
113.02332	2.2
115.00259	3.9
116.02460	2.1
117.38543	1.6
124.98734	51.1
125.02367	5.5
125.99101	3.0
140.98242	10.0
142.99799	100.0
143.03473	12.5
143.07042	4.4
143.10736	5.8
144.00160	3.9
144.04521	14.7
144.05580	3.0
144.06633	3.7
158.99341	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	141.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.7
57.03320	0.5
59.01264	100.0
59.06832	0.4
60.01606	1.6
67.01791	0.6
68.99704	2.5
69.03340	1.3
70.49326	0.9
70.49716	0.8
70.87698	0.5
85.02867	1.9
93.43465	0.4
95.01292	1.0
97.02859	0.7
99.00803	0.9
104.29720	0.6
113.02370	0.9
123.00806	1.2
141.01849	3.2
142.04062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00206	7.0
55.01777	4.7
58.02870	11.5
59.01263	10.2
68.99718	3.9
69.03342	3.8
70.60136	1.6
71.01269	46.6
71.04910	2.7
71.55241	2.5
72.99204	2.9
73.02836	2.3
80.46574	1.7
80.99719	2.5
81.03346	4.9
83.01293	4.3
85.02844	19.7
87.00763	13.7
87.04409	2.2
95.01295	1.9
96.99210	9.2
97.02861	5.7
98.02357	3.5
98.06020	11.5
99.00781	2.4
99.04407	10.2
100.03941	100.0
101.04314	5.0
101.70394	1.8
111.00790	7.4
112.98717	10.3
113.02385	3.0
115.00303	3.4
115.03948	4.3
124.98714	25.3
125.02376	8.1
129.15565	2.0
140.98250	4.5
141.08185	1.7
142.04048	3.7
142.05029	19.4
142.99805	51.7
143.02426	2.9
143.03474	12.1
143.10680	3.5
148.77728	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	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00208	16.7
53.63089	1.3
53.67324	1.5
55.01770	3.6
55.76775	1.4
58.02874	2.1
59.01258	9.2
67.01765	1.6
68.99696	5.7
71.01274	48.5
71.01672	2.7
71.57334	2.0
72.04403	1.5
72.99177	2.6
80.99715	6.0
82.02886	7.1
83.01266	2.5
85.02852	5.5
87.00774	8.7
89.77806	1.4
96.77795	1.4
96.99208	16.7
97.02856	1.8
99.00759	2.5
99.04404	7.2
100.03963	2.9
101.04290	2.8
102.05497	4.3
103.60468	1.7
111.00784	5.1
112.98721	24.9
115.00267	5.4
124.98727	57.1
125.02346	2.7
125.99060	2.6
126.01850	2.6
140.98238	6.7
142.99805	100.0
143.03493	4.9
143.10753	2.2
144.00189	5.9
144.04491	6.6
144.06606	3.4
158.99268	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	138.0191
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01773	1.1
65.01337	0.7
65.99728	0.5
66.00854	1.1
67.01765	1.9
67.02895	0.6
68.01298	1.1
68.99719	0.8
69.34537	1.2
69.34968	2.2
81.04477	0.3
82.03952	0.4
83.01290	1.5
93.03346	0.6
93.40368	0.3
94.02858	0.8
94.03707	3.0
95.01299	1.2
95.02444	0.4
95.54250	0.3
96.00797	0.5
96.04509	0.4
96.05563	1.8
97.02798	0.4
97.03966	0.7
98.75363	0.3
100.30820	0.3
108.02082	50.1
109.02408	4.2
110.02412	0.5
111.00801	7.2
111.01920	0.7
112.03983	0.4
120.02010	0.6
123.03209	0.4
130.31592	0.4
138.01903	100.0
139.00333	5.3
139.01320	0.5
139.02255	6.0
139.03952	1.2
139.04976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0191
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01762	1.3
64.23384	0.4
65.01338	0.7
65.99740	1.6
66.00862	1.2
66.16335	0.4
67.01774	2.8
67.02897	1.5
68.01321	2.4
68.99722	0.7
69.59173	3.7
81.04488	0.9
81.35352	0.4
82.02879	0.7
83.01283	1.5
93.03361	2.0
94.02875	0.5
94.03086	0.7
94.03699	8.7
95.01283	1.1
95.02421	1.0
95.03809	0.6
95.04885	0.7
96.00819	1.0
96.05605	1.5
97.00375	0.7
97.03991	1.5
108.02083	52.6
109.02399	2.9
109.03970	0.5
110.02421	1.3
111.00788	9.9
111.01928	1.5
111.04465	0.7
112.03927	0.5
116.86719	0.5
120.01960	2.0
123.00773	1.1
123.01955	0.6
123.03199	1.3
136.00369	1.0
138.01903	100.0
138.02747	4.8
138.05521	1.6
139.00331	5.8
139.02225	4.9
139.03929	1.9
139.05061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.024
Annotation	4-Hydroxybenzoate
Peak:m/z	Relative Intensity
50.00225	0.3
50.07942	0.2
61.98464	0.2
63.04756	0.3
65.01329	0.9
65.03844	1.3
65.99719	0.7
66.00861	0.8
66.03372	0.9
67.02895	1.6
68.01321	1.1
68.01624	0.2
69.03358	0.3
70.58888	0.5
70.59261	0.5
78.95805	0.4
81.03356	0.6
82.02868	0.9
83.01295	0.5
93.03362	100.0
94.02902	0.9
94.03696	6.1
95.01292	0.7
95.02415	0.8
96.00804	1.0
96.04482	0.3
96.05580	1.0
97.00312	0.3
108.02081	21.7
109.02908	2.9
109.04016	0.7
110.02394	0.9
110.03486	0.7
111.01934	0.6
119.02431	0.7
120.01941	1.2
122.03592	0.3
123.00800	0.6
123.03197	0.4
125.78414	0.2
131.80844	0.2
136.00485	0.2
136.01575	1.3
136.89085	0.5
137.02390	34.1
137.03435	1.9
137.05975	0.7
138.01897	35.1
138.02785	2.5
153.01886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.016
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
50.00234	0.9
53.25893	0.5
58.02845	0.5
64.01792	0.9
65.01334	6.4
65.03835	1.2
65.99741	3.1
66.00866	0.8
66.03380	2.4
66.97066	0.4
67.02908	6.1
68.01300	1.7
68.97784	0.4
68.99707	1.2
69.03324	0.5
69.97042	2.6
77.01358	0.9
79.02898	1.6
81.03358	1.6
81.04475	1.2
82.02885	1.3
83.01288	1.3
83.02421	0.6
91.02917	1.1
92.02434	0.9
92.04952	1.5
93.03359	100.0
94.02876	2.2
94.04021	0.6
94.05969	0.4
95.01293	4.6
95.02399	2.8
96.00825	1.6
96.03184	2.3
97.02770	1.0
106.04016	12.7
107.02427	0.8
107.04345	0.8
108.02080	37.4
108.04482	1.0
109.01685	0.5
109.02904	9.1
109.03969	6.3
110.02386	1.4
110.03506	1.2
110.20389	0.5
118.04047	2.6
119.02408	2.4
120.01955	0.7
121.02734	1.0
122.03539	1.0
135.00803	0.5
136.01587	42.2
136.03905	2.1
136.05051	11.8
136.89091	1.5
137.02393	63.5
137.03438	4.1
137.05994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0239
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
60.41188	0.3
65.01332	1.2
65.03839	0.7
65.99731	1.2
66.00855	1.2
66.03371	1.0
67.01775	0.5
67.02911	2.3
68.01305	2.1
70.31898	0.4
70.58951	0.9
76.07603	0.4
78.95817	0.3
81.03366	1.2
81.04486	0.6
82.02876	0.8
83.01300	0.7
91.01812	0.5
93.03365	100.0
94.02895	0.8
94.03688	6.9
95.01282	0.7
95.02423	0.9
96.00820	1.3
96.05578	1.0
97.00302	0.4
97.02704	0.5
98.46468	0.3
107.02413	0.5
108.02084	15.0
108.02824	0.8
109.02913	4.3
109.04015	0.8
110.02375	1.1
110.03536	0.5
111.01900	0.8
119.02457	0.8
120.01991	1.5
120.02699	0.3
122.03652	0.6
123.00801	0.6
123.03142	0.4
136.00461	0.5
136.01608	1.8
136.89124	0.7
137.02397	40.9
137.03455	2.9
137.06091	0.8
138.01903	19.6
138.02832	2.4
138.05557	0.9
138.06639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0293
Annotation	Erythronic acid
Peak:m/z	Relative Intensity
53.25090	1.8
56.35559	1.8
59.01256	7.8
65.99726	2.2
71.01255	11.7
71.05950	5.0
72.99200	12.2
73.01691	2.4
74.37913	1.9
75.00764	100.0
78.95817	2.5
80.96465	2.1
85.02847	4.6
87.00772	13.9
89.02340	9.2
93.03372	2.2
96.96874	6.3
98.53534	2.0
115.00315	2.4
117.00720	8.0
117.01857	3.9
134.86441	4.5
134.89388	2.9
134.91513	3.1
135.01859	5.3
135.02922	38.3
135.04442	14.5
135.97041	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	135.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.7
64.01812	1.3
65.01325	6.1
65.99728	3.1
66.00854	1.4
66.01658	0.6
67.02895	1.8
71.01279	3.4
73.02854	3.2
75.00757	1.1
79.02933	0.7
81.03361	1.7
85.02843	10.4
87.00762	0.7
88.94627	0.7
89.02322	0.8
91.02930	1.0
91.05417	0.9
92.02438	2.7
92.04952	1.1
93.00851	1.0
93.03361	2.3
93.04499	1.8
95.01294	0.8
95.02410	2.4
96.03202	1.9
101.02336	1.1
103.03925	1.3
105.03350	0.6
106.04043	6.6
107.02460	0.9
107.04945	5.5
108.02061	5.0
108.02750	0.9
109.03981	2.8
111.98878	0.6
112.02767	0.6
115.78677	0.6
117.03377	1.1
118.04015	2.2
121.02837	0.6
125.33816	0.7
134.03670	12.1
135.01970	1.9
135.04457	100.0
136.01566	7.8
136.03835	1.4
136.04884	11.9
150.08717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05813	0.5
57.02165	0.4
59.01263	2.7
60.76469	0.4
63.02284	1.0
65.00209	5.8
67.01762	0.8
71.01272	5.3
71.04906	0.5
71.49271	0.8
73.02840	3.2
75.00767	1.2
81.03344	1.3
85.02845	10.1
87.00796	0.5
89.02354	0.9
91.01793	100.0
92.02127	6.2
93.03358	1.2
95.95029	0.4
99.92498	3.7
101.02361	1.1
103.03909	0.6
107.01304	1.3
107.04932	3.6
107.98785	0.4
108.02079	0.9
117.03352	0.5
117.05470	0.5
134.03659	1.4
134.86510	5.9
134.89401	65.3
135.00813	13.8
135.01854	0.7
135.04443	20.3
135.06558	1.2
135.88490	0.6
135.89423	6.5
136.01172	0.8
136.03885	0.7
136.04803	1.7
137.20096	0.4
153.01852	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	134.0466
Annotation	Adenine
Peak:m/z	Relative Intensity
57.03319	0.4
59.01264	2.6
65.01335	3.6
65.99716	1.3
66.00873	0.4
70.78450	1.1
71.01268	7.4
71.04891	0.6
72.01598	0.7
72.99192	0.8
73.02835	5.8
75.00762	2.1
81.03343	2.8
84.02055	0.5
85.02843	16.4
87.00777	0.6
89.02335	1.4
91.01802	0.7
91.68561	0.4
92.02436	7.9
93.02806	0.5
93.03343	1.6
99.04429	1.0
101.02319	2.4
103.03918	2.0
106.04082	1.8
107.02392	1.7
107.03541	29.5
107.04919	5.6
108.02050	1.1
108.03875	1.0
116.00641	0.7
117.05484	0.7
130.26147	0.4
134.03589	7.9
134.04639	100.0
134.86481	1.9
134.89362	1.0
135.02847	0.7
135.04385	25.2
135.06517	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	134.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37779	0.3
51.77586	0.3
54.86911	0.3
56.80312	0.3
57.03344	0.4
57.61727	0.3
59.01258	1.1
64.00566	0.3
65.01326	2.2
65.99724	1.3
66.00850	0.3
66.23222	0.3
68.02435	0.4
71.01276	3.4
71.20596	0.7
71.20948	0.3
72.01603	0.7
72.99191	0.6
73.02831	2.4
75.00745	1.8
81.03351	0.6
85.02843	7.4
87.00780	0.6
89.02325	0.8
91.02925	0.3
92.02441	6.9
92.05652	0.3
93.03332	2.0
101.02338	1.0
103.03905	0.8
106.04050	1.5
107.02479	2.7
107.03540	26.0
107.04916	3.5
108.02063	1.2
108.03884	0.9
116.00661	0.5
117.05455	0.3
119.59372	0.3
123.04428	0.5
134.03590	7.7
134.04642	100.0
135.02026	0.5
135.02846	0.9
135.04362	18.3
135.06581	1.1
139.21625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.5
71.01270	52.0
71.07058	1.7
72.01598	0.7
72.05775	0.7
72.99197	12.1
87.00744	1.0
89.02335	7.7
94.36245	0.6
115.00288	100.0
116.00614	5.0
128.07516	0.7
133.01357	29.1
133.02374	1.5
134.01677	1.0
134.04633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0136
Annotation	(R)-Malate
Peak:m/z	Relative Intensity
53.93467	0.9
57.03351	1.0
58.26170	1.0
59.01262	3.0
69.41408	8.4
71.01270	90.5
72.01615	2.4
72.99200	23.3
73.50307	1.0
78.40116	1.2
87.00769	9.3
87.04417	2.3
88.84061	1.2
89.02325	9.6
98.19997	4.0
107.03535	1.9
115.00284	100.0
116.00633	4.5
133.01366	26.3
133.05000	10.6
134.01666	1.4
134.03702	1.5
134.04588	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	133.0136
Annotation	(R)-Malate
Peak:m/z	Relative Intensity
56.47023	0.5
56.74009	0.6
59.01269	1.2
71.01270	64.2
71.05949	0.9
71.06263	1.1
72.01610	2.1
72.44769	0.6
72.99197	15.6
87.00749	2.8
87.04462	0.7
89.02337	7.1
115.00288	100.0
116.00607	4.6
133.01353	29.5
133.04990	2.5
134.01733	1.1
146.74745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22275	3.5
62.12696	2.9
64.72547	2.8
70.65722	9.8
71.01270	100.0
71.01664	5.1
72.99192	22.7
89.02333	7.6
108.18598	3.2
115.00281	79.7
133.01334	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	131.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00235	4.1
54.99474	1.1
57.03331	4.8
59.01260	12.4
64.00536	1.4
64.01809	2.4
65.01336	18.6
65.99739	2.8
66.00855	1.1
66.01646	2.0
67.02900	10.8
68.00753	1.1
69.03345	2.9
71.01269	19.4
71.55145	1.9
71.64519	1.0
72.01632	1.1
72.99219	1.1
73.02836	25.2
74.03165	1.4
75.00758	2.4
77.01346	5.8
81.04455	2.1
85.02847	16.3
85.06484	54.8
86.03166	1.0
86.03888	1.1
86.06817	3.2
87.04415	14.7
88.03966	2.5
89.01350	18.8
90.00896	3.8
90.01682	1.2
91.02913	15.7
101.02345	2.5
104.02448	6.2
104.03130	1.2
105.04463	7.2
113.02317	2.4
130.02798	1.9
131.03552	100.0
131.04382	6.7
131.07059	33.9
131.09119	1.0
132.01949	3.6
132.02962	1.7
132.03897	3.6
132.05600	18.7
132.07370	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	129.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	13.1
57.03328	20.5
58.02852	12.6
58.42495	4.1
59.01257	17.8
65.01331	16.2
67.01778	12.1
68.99698	14.4
71.01268	22.3
71.54914	9.1
72.99195	13.8
73.02831	14.9
74.36100	4.7
83.04920	14.1
85.02828	24.1
85.06487	10.1
85.48151	4.7
87.00778	10.1
88.03913	7.9
99.00773	10.6
101.02350	15.7
111.00797	10.8
111.04443	8.8
124.48165	5.0
129.01871	41.2
129.05508	39.0
130.03038	7.5
130.04041	74.2
130.08678	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	130.0867
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
50.91536	0.4
53.93542	0.5
57.03344	3.4
58.02851	0.6
59.01266	2.6
65.01334	1.4
69.03316	1.2
70.91315	1.6
71.01270	10.0
73.02837	13.5
75.00755	1.6
85.02845	8.8
85.06474	1.5
87.04418	6.4
88.03939	1.8
89.01364	1.1
101.02316	1.0
113.02344	1.7
130.02980	0.9
130.04039	6.4
130.08664	100.0
131.03511	10.3
131.04425	1.0
131.07045	0.7
131.09019	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	130.0867
Annotation	beta-Alaninebetaine
Peak:m/z	Relative Intensity
53.91449	0.9
54.78214	0.9
57.03328	4.0
58.02851	4.4
59.01261	1.5
65.01328	1.8
65.76278	0.9
69.03350	1.8
70.02877	15.9
71.01273	7.9
71.02375	2.6
71.57542	1.1
72.00801	6.7
72.01605	1.0
72.40874	0.9
73.02837	11.8
85.02834	10.3
85.06501	1.4
87.04407	6.2
88.03937	8.4
95.02399	8.2
101.02313	1.3
111.01910	1.9
113.02349	2.4
113.03487	21.7
114.01888	35.0
115.92031	2.0
121.64055	1.0
121.96662	1.0
130.04063	19.3
130.05013	2.8
130.08667	100.0
130.88853	1.3
131.03473	9.7
131.04536	8.7
131.09041	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	129.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	5.3
57.03344	16.9
59.01267	2.9
65.01343	1.5
67.01780	29.8
67.88664	1.4
68.02097	1.5
68.99709	4.2
69.72821	2.4
69.73228	5.3
71.01272	4.5
72.99203	6.1
73.02827	2.5
76.17017	1.2
83.01260	3.1
83.04913	2.9
85.02847	100.0
86.03193	3.8
87.00764	1.9
88.03932	12.6
99.00770	1.3
101.02368	2.0
101.11711	1.2
108.01877	1.2
111.00807	1.5
129.01855	12.6
129.05496	3.5
130.04053	13.7
130.04997	2.3
130.08661	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	1195.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01273	0.2
85.02849	0.2
85.94521	0.0
87.00766	0.0
93.03365	0.1
95.01283	0.1
95.04895	0.0
97.02850	1.5
97.06480	0.2
99.00812	0.1
100.01581	0.1
101.02349	0.6
107.04921	0.1
107.25671	0.0
109.02872	0.3
109.06527	0.1
111.04420	0.1
113.02350	0.3
117.03366	0.2
119.03429	0.0
119.04935	0.3
121.02813	0.0
121.06487	0.2
122.03683	0.0
123.00778	0.1
123.04442	0.1
123.08086	1.1
125.02350	0.2
125.09658	0.0
126.30711	0.0
127.07573	2.8
133.06514	0.1
133.50983	0.0
135.04417	0.2
135.08081	0.1
137.02390	0.1
137.09673	0.0
139.04008	0.1
143.03452	0.1
145.02892	0.4
145.06526	0.1
146.07286	0.1
147.08083	0.5
149.04503	0.0
149.05905	0.1
149.09708	0.1
151.03896	0.1
155.03433	0.1
159.08104	0.1
161.02307	0.1
161.04494	0.1
161.05902	0.1
161.09659	0.4
161.13199	0.0
163.03970	0.4
163.07600	0.2
163.11212	0.1
164.02966	0.0
164.04539	0.0
165.05539	0.3
165.09183	0.3
167.03532	0.0
169.08633	0.1
169.10025	0.1
171.08133	0.1
173.05981	0.0
173.09798	0.1
175.07614	0.1
175.11211	0.1
177.05530	0.1
177.09174	0.1
177.12747	0.0
179.03493	0.1
181.08694	0.1
185.09615	0.1
187.07687	0.1
187.11244	0.1
189.05536	0.4
189.09157	0.2
189.12717	0.1
191.07108	20.9
192.07430	0.8
193.08499	0.0
201.09192	0.1
201.12659	0.0
203.05560	0.2
203.07256	0.1
203.10750	0.2
203.14392	0.6
204.11371	0.1
205.08688	15.7
206.09296	1.1
207.10274	0.6
211.07646	0.1
215.07149	0.1
219.06662	0.0
219.10236	0.1
221.08212	2.4
221.15434	0.1
222.08546	0.1
224.10727	0.1
229.08788	0.1
230.09482	0.1
233.08130	0.1
239.14560	0.0
247.09784	0.1
256.09509	0.1
267.17618	0.1
269.19171	0.5
271.02643	0.1
271.16995	0.1
285.18723	0.2
285.21414	0.0
287.20441	0.2
289.18164	0.2
299.02039	0.1
300.02655	0.1
305.21255	0.2
311.20200	0.2
313.18173	3.1
314.18405	0.1
315.19681	0.1
329.17682	0.1
329.21225	0.4
331.19220	100.0
332.19556	5.7
343.19141	0.1
345.20792	0.3
349.20270	24.0
350.16385	0.1
350.20627	1.4
355.19281	0.3
363.21893	1.1
364.22440	0.1
373.20267	4.5
374.20755	0.2
385.20352	0.2
391.21371	2.9
392.21866	0.2
403.21152	0.2
415.21567	0.2
421.22614	0.1
433.22351	0.1
445.23080	0.1
451.23935	0.1
475.23361	0.2
493.24432	0.2
553.14020	0.4
553.26526	0.6
554.13831	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	1195.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01278	0.4
85.02846	0.4
87.00816	0.1
89.02335	0.1
93.03326	0.1
95.01315	0.1
97.02246	0.1
97.02845	1.6
97.06501	0.3
98.20496	0.1
99.00793	0.1
100.01563	0.1
101.02348	1.6
107.04920	0.1
109.02848	0.4
109.06493	0.1
111.04409	0.1
113.02349	0.8
119.08559	0.1
121.06513	0.2
123.00736	0.1
123.04456	0.1
123.08081	1.0
125.02350	0.2
125.05937	0.1
125.09701	0.1
127.07567	4.8
128.07874	0.1
131.03439	0.1
133.02856	0.3
135.04448	0.3
135.08055	0.1
143.03401	0.2
145.06552	0.3
145.10168	0.1
146.07304	0.1
147.04402	0.1
147.08092	1.7
149.04488	0.3
149.09602	0.1
155.03424	0.1
159.04462	0.1
159.08081	0.2
159.11734	0.3
161.02415	0.5
161.04469	0.5
161.05891	0.1
161.09668	1.6
163.03934	0.2
163.07652	0.3
163.11229	2.2
164.11647	0.1
165.05511	0.1
165.09184	0.3
169.08647	0.1
171.08099	0.1
173.09612	0.1
175.07616	0.1
175.11270	0.3
177.05542	0.1
177.09138	0.1
179.03452	0.3
179.10733	0.1
185.05939	0.1
185.09610	0.1
187.07726	0.3
187.11261	0.1
188.08247	0.1
189.05548	0.5
189.09201	0.3
189.12761	0.1
191.07100	16.2
192.07408	0.4
201.09164	1.1
201.12946	0.1
202.09895	0.3
203.05547	0.3
203.10745	1.1
203.14258	0.3
204.11493	0.3
205.08676	12.5
206.09268	0.8
207.10237	0.5
215.07301	0.1
219.10292	0.2
221.06578	0.2
221.08299	1.4
224.10518	0.1
229.08701	0.4
231.17300	0.1
233.08130	0.1
247.09709	0.1
248.10545	0.1
256.09457	0.2
259.17062	0.1
267.21283	0.1
269.19186	1.0
270.19485	0.1
271.17053	0.1
283.17261	0.1
285.18640	0.3
285.22202	0.1
287.20148	0.4
289.18130	0.2
299.02103	0.1
303.19733	0.1
305.21194	0.1
311.20264	0.1
313.18161	3.3
314.18503	0.3
315.19797	0.1
325.11502	0.1
327.19980	0.3
329.17764	0.1
329.21204	0.6
331.19208	100.0
332.19543	5.7
335.22623	0.1
337.18262	0.1
345.20731	0.8
347.18564	0.1
347.22537	0.1
349.20255	41.3
350.20572	2.1
355.19275	0.5
363.21814	1.2
364.22388	0.1
371.22351	0.1
373.20255	9.0
374.20740	0.5
385.20471	0.4
391.21326	4.5
392.21899	0.2
395.82065	0.1
397.20175	0.1
403.21207	0.6
415.21393	0.9
416.21832	0.1
421.22623	0.2
433.22577	0.3
445.22437	0.1
451.24002	0.1
457.22601	0.1
475.23410	0.9
476.24026	0.1
493.24637	0.3
544.97241	0.1
553.14044	0.5
553.26038	0.3
554.13409	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	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00230	2.0
54.49268	0.5
59.01265	1.5
65.01329	6.4
65.99737	4.4
67.02895	0.6
68.01303	1.7
69.36193	5.8
71.01272	1.4
77.01335	2.1
78.96094	0.5
91.02929	2.9
91.05458	1.1
92.01308	3.4
92.02435	1.4
92.03268	0.7
93.00855	2.3
93.03363	2.2
98.19717	1.2
104.02467	1.1
118.04018	1.0
118.92605	1.4
119.02480	8.9
119.04945	100.0
120.01972	8.6
120.05598	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	1194.5803
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04908	0.9
85.02852	0.3
85.58904	0.1
87.00769	0.3
89.03860	1.0
93.03356	4.9
95.01292	0.1
95.04926	2.0
96.96865	0.5
102.68849	0.1
105.03368	10.8
106.03697	0.2
109.02875	0.4
111.04422	2.6
121.02869	0.3
122.00056	0.3
123.04436	1.3
123.92600	0.1
127.03966	0.2
129.01846	0.4
132.02144	0.5
133.02879	79.8
134.03116	1.9
135.03413	0.2
135.04445	4.3
137.02328	0.6
140.01111	2.1
149.02385	0.4
151.03958	0.9
152.99525	2.2
155.03445	3.3
159.04433	0.1
161.02400	2.0
171.00586	1.4
173.04512	12.9
173.05899	0.6
173.13417	0.1
174.04791	0.1
177.01886	41.0
178.02232	1.1
179.03458	2.7
185.09480	0.1
186.06837	0.1
191.05562	1.3
196.03754	1.0
199.07765	0.2
201.09193	0.3
214.04834	2.9
215.05588	0.5
229.15790	0.2
239.10788	0.1
261.22287	0.4
267.14096	0.2
268.14194	0.1
279.23337	100.0
280.23682	5.3
281.22748	0.2
293.15341	0.2
293.22781	0.2
307.17026	0.1
308.17831	0.1
309.22394	1.5
319.20636	0.2
335.07867	2.8
337.21771	4.0
338.22238	0.3
351.07214	2.1
381.20767	29.0
382.21155	2.3
402.24075	0.3
476.27905	65.2
477.28198	4.2
513.10321	0.8
536.25964	0.1
537.25671	0.1
555.26056	98.1
556.26410	8.7
717.29254	5.6
718.29248	0.6
1115.93982	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	1189.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01284	0.8
83.04937	0.4
85.02845	1.9
88.83269	0.1
89.02368	0.2
93.03383	0.9
93.06995	0.2
95.01305	0.4
95.04926	0.1
97.02853	5.5
97.06469	0.3
98.19743	0.3
99.04417	0.2
101.02350	1.3
102.02776	0.1
105.07034	0.1
107.01303	0.9
107.04942	1.0
107.08592	0.2
108.02061	0.2
109.02866	1.8
109.06529	0.3
111.04448	0.9
113.02349	1.8
117.03389	1.7
119.04955	1.5
121.06506	1.6
121.10240	0.2
122.03656	0.1
123.08083	28.4
124.08430	0.7
125.02348	0.5
125.09680	0.3
127.07577	3.9
130.04120	0.1
131.08600	0.2
132.02130	0.3
133.10168	1.6
134.03653	0.2
135.00827	0.4
135.04453	0.2
135.08098	0.2
137.02373	0.3
137.05907	0.2
143.03470	0.7
143.04964	0.5
143.08667	0.1
145.02902	4.8
145.10173	1.2
146.03287	0.2
147.08084	0.6
149.09653	0.2
151.00323	1.9
151.07521	0.1
153.01920	0.2
157.06506	0.2
159.04465	0.6
159.08109	0.4
161.02478	0.2
161.04483	0.5
161.06004	0.3
161.09674	2.2
161.13292	0.2
163.00336	0.8
163.03960	1.2
163.07652	0.3
163.11302	0.2
164.01114	0.2
165.01897	0.2
165.05519	0.6
165.09206	0.3
167.05020	0.4
169.01344	0.4
169.06531	0.3
169.08711	0.1
171.04471	0.4
173.04538	0.1
174.06851	0.1
175.07588	1.0
175.11243	0.4
177.09198	0.9
177.12825	0.8
178.99806	0.2
179.10744	0.5
181.08701	0.4
183.04462	0.6
185.06030	0.9
187.03979	1.4
187.07587	0.3
187.14835	0.1
189.05637	0.9
189.09196	15.0
190.09523	0.5
191.05658	1.0
191.07114	18.5
191.14407	0.4
192.07503	0.6
195.06628	0.2
197.06042	0.3
199.03958	0.5
199.11230	0.2
200.04816	0.2
201.05589	0.3
201.12837	1.0
203.05496	0.2
203.07144	0.3
203.10751	0.3
205.08694	17.8
206.09196	1.2
207.10216	0.5
211.03993	1.1
212.04726	0.2
213.05536	0.8
215.14435	0.3
217.12448	0.2
217.15991	1.4
218.09520	0.1
219.10432	0.1
219.13927	2.9
221.08226	2.1
223.03943	0.2
227.03514	14.3
227.14403	0.2
228.03951	0.8
229.05078	4.1
229.08708	0.3
230.80956	0.2
231.13954	1.4
239.03571	0.9
240.04187	0.3
241.05026	0.7
243.03004	0.2
243.13997	0.3
243.17578	0.7
245.11873	4.2
245.15605	0.3
246.12112	0.2
255.03041	27.6
256.03656	3.6
257.04626	2.7
257.11880	0.2
259.13376	0.6
259.20673	0.9
261.15002	0.6
263.12946	4.7
264.13303	0.3
267.03085	0.4
267.17593	0.2
269.04614	0.2
269.15485	0.2
271.13641	0.1
273.15164	0.2
275.13000	1.6
281.19220	0.2
283.02573	1.7
283.20859	0.4
284.03345	30.7
285.04105	34.3
285.18594	1.7
286.04431	2.2
287.04620	0.2
287.12985	1.7
287.16565	0.7
289.14618	0.5
299.20328	0.3
303.19720	3.8
304.19977	0.2
307.08304	0.6
311.16458	0.2
313.17960	0.2
325.18359	0.2
327.19733	1.0
329.17661	100.0
330.17999	7.7
336.00427	0.1
336.09180	0.1
341.17886	0.2
343.19189	0.7
347.18726	70.6
348.19061	5.4
353.17719	0.2
361.20313	2.1
362.20416	0.2
371.18744	9.9
372.19055	1.0
383.18698	0.9
389.19800	5.7
390.20108	0.5
401.19666	0.7
413.20016	0.3
419.20932	0.1
431.21088	0.3
443.20737	0.3
447.09341	1.1
473.21780	0.2
491.22858	0.4
533.24622	0.2
593.13165	75.9
594.13513	9.8
595.14001	0.7
668.74915	0.1
739.18970	0.6
1123.14355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02835	0.2
89.02354	0.2
89.03883	0.3
90.29551	0.1
91.05417	0.1
93.03387	0.2
95.01299	0.1
95.04939	0.1
96.95934	0.2
97.02824	0.2
99.00046	0.1
99.00778	0.3
101.02363	0.5
102.40491	0.1
104.02588	0.3
105.03359	0.7
107.04948	0.2
109.02847	0.1
110.30713	0.1
113.02336	0.3
115.01825	0.5
117.03368	1.0
118.24961	0.1
121.02847	0.2
123.04482	0.5
125.02390	0.1
131.03468	0.1
132.02100	3.9
133.02885	41.3
134.03601	1.1
135.04451	13.9
136.04803	0.3
137.02333	0.7
147.04472	0.2
148.05241	7.6
149.05702	0.3
159.04465	0.4
160.01552	0.2
161.02394	100.0
162.02725	3.4
163.07587	2.6
173.06009	0.2
175.04016	0.2
175.18069	0.1
177.05573	0.1
178.02762	0.2
179.03458	7.2
180.03770	0.3
191.05559	0.2
203.03447	0.6
217.31046	0.1
313.16644	0.2
323.07764	0.2
352.63782	0.1
365.08871	1.7
366.09204	0.2
425.44995	0.1
445.20367	0.1
452.31598	0.1
487.16202	3.0
488.16415	0.2
529.17273	70.7
530.17633	7.2
563.21539	0.2
573.16089	0.4
579.26422	0.1
583.38239	0.1
607.24133	13.5
608.24536	1.7
804.62463	0.1
891.67181	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.6318
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04914	1.2
85.02840	3.9
87.00778	1.6
93.03358	9.8
93.99723	0.1
99.04411	0.3
101.02367	0.3
107.04929	0.6
109.02878	0.6
111.04430	3.5
117.03352	0.9
119.04942	45.7
119.18619	0.2
120.05270	1.2
121.02847	0.2
127.03954	1.4
129.01865	0.7
132.02145	0.2
133.02884	3.4
134.03679	2.7
135.04446	34.8
136.04767	1.0
137.02373	0.7
143.03403	0.2
145.02879	2.0
155.03442	3.9
161.02382	7.4
161.05980	0.2
162.02716	0.3
163.03951	94.2
164.04288	2.5
171.02870	0.2
173.04507	11.9
174.04913	0.3
178.02629	0.2
179.03453	29.8
180.03745	0.9
191.05577	92.6
192.05888	2.4
233.09554	0.2
271.02692	0.2
299.02084	0.4
300.02670	0.2
319.08331	1.3
335.07779	2.8
337.09348	100.0
338.09677	5.3
349.00809	0.2
353.08832	60.6
354.09207	2.8
402.76593	0.2
445.28601	0.2
499.12561	35.8
500.12897	3.2
624.08435	0.2
665.95612	0.2
677.16852	0.2
677.49579	0.7
898.34131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17475	0.5
59.89096	0.5
71.01270	1.2
71.09973	0.5
71.13384	1.2
72.16037	0.5
73.02837	100.0
74.02326	0.7
74.03178	2.7
99.00783	8.2
116.92785	1.8
117.01019	0.9
117.01854	18.9
117.07448	1.4
133.68707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03348	4.2
82.03664	0.0
83.01271	1.3
85.02842	0.3
85.06487	0.5
87.00786	0.1
87.04407	0.4
89.02335	0.2
91.05422	0.1
93.03355	0.1
95.01287	0.1
95.04913	0.1
97.02842	0.1
97.06479	0.1
99.00770	0.1
101.02346	1.2
105.06954	0.0
107.01290	0.6
107.04928	0.2
108.02107	0.1
109.02890	0.1
109.06499	2.9
110.06872	0.1
111.00861	0.0
111.04426	3.5
112.04784	0.1
113.02356	0.6
116.88042	0.0
119.03395	0.1
121.02896	0.2
121.06504	0.1
122.03651	1.7
123.00819	0.1
123.04469	0.3
123.08070	0.3
124.01577	0.1
125.02367	5.2
126.02734	0.1
127.07561	0.3
131.03433	0.1
133.06528	0.3
134.03584	0.0
135.04492	0.2
136.05188	0.1
137.02425	0.1
139.03908	0.1
143.03436	0.1
147.08177	0.1
148.01599	0.1
149.02403	0.6
149.04486	0.3
149.06018	0.1
151.00313	1.3
151.07587	30.9
152.01070	0.1
152.07932	1.0
153.05496	0.3
153.28268	0.0
155.03371	0.0
161.02344	0.1
161.04521	0.5
162.03177	0.2
163.03952	0.1
163.07645	0.1
165.01874	0.1
165.09068	0.1
166.02678	0.1
167.03436	0.2
177.05542	0.8
179.03438	0.1
190.02708	0.1
190.06335	0.0
191.03598	0.1
191.05617	0.1
191.07098	2.3
192.07393	0.1
194.05806	0.1
195.06601	100.0
196.06929	3.6
197.07167	0.1
203.05531	0.1
205.08688	1.5
206.09381	0.1
207.10175	0.1
209.08154	0.1
219.06625	0.6
221.06564	0.2
221.08411	0.3
234.05490	0.0
235.06195	0.1
237.07677	0.8
237.18500	0.1
249.07610	0.1
269.06686	0.1
299.01910	0.1
313.17853	0.1
331.19205	23.4
332.19547	1.5
339.10950	0.1
349.20184	0.1
357.11972	17.5
358.12289	1.1
381.23163	0.1
399.24097	0.3
441.24963	0.5
442.25546	0.0
682.94293	0.0
689.31903	12.6
690.32239	1.5
691.33307	0.0
839.89154	0.0
957.45258	0.0
1175.54712	0.2
1176.56445	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60872	0.3
55.01763	0.5
55.83008	0.4
59.01259	2.5
65.07174	0.4
65.39473	0.4
70.63033	1.5
71.01270	2.2
71.04907	1.2
73.02837	100.0
74.02370	0.6
74.04263	0.5
75.00763	0.7
87.00767	0.8
89.01327	0.6
98.02394	0.4
99.00783	9.5
99.92486	14.9
114.34478	0.3
115.91972	0.5
116.02467	2.9
116.07091	66.6
116.92775	48.1
117.01854	17.9
117.05492	0.4
117.07422	3.0
129.08096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
58.10482	0.2
59.01244	0.4
70.49789	1.1
71.01283	0.4
71.04911	0.4
73.02835	100.0
74.03169	3.1
90.75245	0.2
98.19893	0.3
98.20462	0.3
99.00778	8.2
99.92477	3.2
116.92772	7.6
117.01853	15.1
117.05473	0.4
117.92789	0.7
118.02184	0.4
124.26453	0.2
138.29889	0.3
138.56886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60872	0.3
55.01763	0.5
55.83008	0.4
59.01259	2.5
65.07174	0.4
65.39473	0.4
70.63033	1.5
71.01270	2.2
71.04907	1.2
73.02837	100.0
74.02370	0.6
74.04263	0.5
75.00763	0.7
87.00767	0.8
89.01327	0.6
98.02394	0.4
99.00783	9.5
99.92486	14.9
114.34478	0.3
115.91972	0.5
116.02467	2.9
116.07091	66.6
116.92775	48.1
117.01854	17.9
117.05492	0.4
117.07422	3.0
129.08096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01259	0.1
85.02831	0.6
89.02383	0.1
89.03891	0.2
93.03345	0.1
99.00781	0.2
101.02326	0.5
104.02608	0.2
105.03356	0.6
109.02858	0.1
113.02354	0.3
115.01786	0.4
117.03362	0.6
119.92094	0.1
121.02868	0.2
123.04440	0.2
132.02095	3.1
133.02882	34.3
134.03604	1.1
135.04453	8.8
136.04765	0.2
137.02365	0.7
139.03937	0.3
159.04436	0.4
160.01646	0.2
161.02388	100.0
162.02724	2.8
163.03951	0.2
165.11765	0.1
173.06117	0.1
178.02710	0.4
179.03458	5.7
180.03828	0.2
191.05637	0.2
203.03503	0.2
203.07089	0.1
222.75050	0.1
291.49023	0.1
295.94058	0.1
299.02252	0.1
299.18661	0.1
314.10229	0.1
333.34451	0.1
385.17108	0.1
475.19525	0.1
493.20923	4.6
494.21432	0.4
531.72333	0.1
535.21942	89.0
536.22266	7.1
537.21729	0.2
561.19977	0.1
579.21063	0.7
804.73322	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02864	2.0
59.01267	9.1
64.01804	3.2
65.01340	14.0
69.03360	1.6
70.92125	2.0
71.01277	6.0
71.04913	16.3
72.04440	1.9
73.03963	56.7
74.02364	18.7
74.04296	0.9
85.02842	1.0
87.00768	1.6
89.01356	39.3
97.02847	3.3
97.93034	5.1
98.02383	1.2
99.01943	0.9
99.92513	1.1
114.93332	25.0
115.00290	2.1
115.01395	0.8
115.02938	14.9
115.03928	9.0
115.05044	3.7
115.07568	100.0
115.91991	1.7
116.02472	41.2
116.03362	2.6
116.07107	3.0
116.07911	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	1159.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00740	0.1
89.03857	0.6
93.03353	0.3
94.21281	0.1
95.01299	0.1
97.02861	1.0
101.02367	0.1
105.03353	0.4
107.01288	0.2
107.04951	0.3
108.02074	0.1
109.02871	0.4
112.40692	0.1
113.02340	0.2
115.01789	0.2
117.03369	0.6
119.05031	0.1
121.02846	0.2
123.04450	0.3
125.01466	0.2
125.02361	2.8
132.02100	2.7
133.02881	32.5
134.03725	2.4
135.04445	33.6
136.04773	0.9
137.02342	0.7
139.03947	0.3
143.04892	0.1
144.60765	0.1
145.02835	0.2
146.07527	0.1
147.04424	0.2
151.00328	0.6
155.03447	0.2
159.04475	0.4
160.01585	0.3
161.02385	86.2
162.02740	2.3
163.03908	0.4
173.05995	0.2
175.03941	0.3
177.01849	0.3
177.05507	0.2
178.02649	0.3
179.03455	22.2
180.03766	0.8
189.05560	0.2
191.05595	0.8
199.04041	0.4
201.01833	0.2
201.05522	0.2
203.03511	0.8
215.03514	0.3
227.03535	0.7
242.02299	0.3
243.03000	2.6
244.03464	0.1
255.03006	1.9
257.04559	0.5
270.01724	0.4
271.02524	5.3
272.03125	0.6
285.04050	0.8
286.04889	0.2
287.05737	0.3
299.02048	4.5
300.02789	4.4
301.03296	0.3
305.06888	0.2
313.03641	0.2
314.04398	5.3
315.05154	9.7
316.05539	0.7
323.07758	0.6
353.08823	0.5
357.06104	0.1
365.08826	11.2
366.09250	0.5
414.00119	0.1
449.10913	3.7
450.11218	0.3
491.12039	100.0
492.12384	7.2
535.11041	0.5
571.70215	0.1
623.16254	14.4
624.16632	1.7
625.17108	0.2
785.18939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0552
Annotation	L-Proline
Peak:m/z	Relative Intensity
59.01257	0.7
61.71801	0.3
64.24718	0.4
66.03369	2.4
69.78720	1.9
71.01273	2.9
71.04918	0.9
73.03959	0.9
85.88190	0.3
86.02361	1.4
104.66937	0.4
106.35338	0.4
112.03931	0.8
114.05518	100.0
115.00239	0.5
115.03882	0.9
115.05104	0.5
115.05864	4.9
116.17535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
62.75307	1.2
66.03353	1.4
70.84416	3.8
71.01266	12.2
71.21298	1.1
77.44542	1.5
81.07169	1.1
89.57932	1.4
114.05519	100.0
115.00263	2.6
115.05868	4.9
130.60744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03373	1.7
70.15164	1.4
70.15576	1.3
71.01263	1.2
71.04896	1.7
72.00772	0.5
73.03962	11.5
86.02362	0.9
87.00764	0.5
96.00812	1.3
98.19950	0.8
112.03972	0.6
114.05518	100.0
115.03925	1.1
115.05108	1.0
115.05833	3.9
118.31596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31424	0.9
58.02846	0.9
59.01263	8.6
65.68749	1.1
70.08076	4.9
71.01271	74.0
71.04920	4.1
72.01601	1.7
73.03962	4.7
74.02377	2.9
85.02873	1.0
86.73519	1.2
87.00777	4.2
89.01359	2.4
97.02884	0.9
98.02373	1.3
114.93454	1.6
115.00284	11.2
115.02946	2.6
115.03880	2.6
115.05865	4.0
115.91994	2.0
116.01754	1.5
116.02483	5.2
116.07086	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	1139.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03355	0.7
83.01287	0.8
83.04940	0.3
85.02847	1.9
87.00772	8.8
88.91322	0.2
88.98714	0.2
89.02321	0.2
89.03902	0.4
91.01881	0.2
93.03358	2.9
93.31454	0.3
95.01288	0.6
95.04893	0.5
97.02839	1.6
98.19753	0.4
98.20441	1.2
99.00806	0.4
101.02380	0.4
107.04928	0.2
108.02080	0.4
109.02831	1.1
109.17392	0.2
111.00797	1.8
111.04437	1.9
113.02357	0.6
117.03380	12.3
118.03732	0.4
119.04945	41.3
120.05280	1.3
121.02881	1.8
123.00784	0.3
123.04426	0.6
129.01860	6.1
130.04164	0.7
130.93889	0.2
131.04971	0.2
132.02098	10.2
132.05702	0.4
133.02905	2.5
133.06531	1.4
134.03668	17.6
135.04509	1.6
137.02338	1.6
139.03949	0.7
141.01877	0.4
143.04936	0.4
145.02888	54.0
146.03204	1.7
147.04451	1.1
148.05240	0.4
149.06032	2.9
150.06841	0.3
153.01842	0.5
155.03455	0.3
157.05074	0.3
158.02306	0.4
158.03677	19.5
159.04460	2.1
160.01605	30.3
161.02409	4.6
161.06020	2.3
162.03091	0.6
163.03954	31.6
164.04294	1.1
165.01932	0.7
169.06497	0.4
171.04462	0.4
172.05072	0.2
173.06032	16.3
174.03239	0.3
174.06378	0.8
175.03963	26.6
176.04478	1.4
177.01837	0.3
177.05545	0.5
178.02672	2.8
179.03438	1.4
180.05737	0.4
181.06519	0.5
183.02995	2.0
185.06104	0.3
187.03996	0.5
189.05583	0.2
191.05565	2.3
191.07146	2.9
192.04309	0.3
193.05028	9.3
193.06790	0.5
194.05414	0.4
197.06015	0.6
198.06906	0.3
199.04160	0.5
200.04727	0.4
201.01974	1.6
201.03992	9.7
202.02771	1.5
203.03429	0.8
205.05038	1.3
205.08728	0.2
209.08153	0.3
213.05630	0.2
214.06317	0.6
215.07129	0.6
217.05055	10.0
218.05505	0.7
219.05084	5.4
225.05522	0.4
227.03444	0.4
227.07153	0.4
228.04085	0.3
228.07796	0.5
229.08728	0.4
229.91470	0.2
233.08243	0.9
235.06160	1.0
243.02969	0.4
243.05011	0.3
245.08278	0.2
257.08078	0.2
259.06290	0.3
259.09827	0.4
271.02551	3.3
271.06165	0.5
271.09775	0.7
272.02853	0.8
272.06125	0.2
273.07901	0.3
277.07321	1.2
285.07681	0.8
287.06088	0.2
287.09280	1.2
298.98682	0.5
299.02048	7.7
300.02411	2.7
301.02911	0.6
301.07196	0.4
303.08813	0.3
305.06720	0.7
315.08777	0.3
329.06693	1.8
330.07147	0.3
331.19272	1.7
339.05014	0.3
347.07758	1.4
349.20251	0.6
359.07742	0.9
365.08832	63.3
366.09201	4.1
377.08957	1.4
391.06726	0.6
407.09662	0.6
411.11032	0.4
419.09927	7.4
420.10449	0.5
433.07803	0.8
437.10965	0.7
451.14227	1.7
452.14294	0.3
479.13623	0.7
511.25656	1.8
523.12488	4.4
524.12579	0.3
539.15619	0.2
541.13873	1.2
583.14703	100.0
584.15039	13.2
596.80249	0.2
627.29871	0.6
756.05640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13847	1.2
50.66581	1.2
51.86485	1.2
52.01805	1.6
54.21824	1.2
55.01767	7.9
56.35549	1.7
57.03092	2.0
57.03342	27.3
58.02872	10.1
67.01780	1.6
68.01302	4.3
68.99455	30.6
69.03343	17.3
70.02877	1.7
71.01268	5.2
71.02393	24.6
71.14774	3.1
72.00800	22.5
72.02765	1.5
72.99191	8.5
83.01278	4.0
83.02367	1.7
84.02059	13.6
85.02846	100.0
86.02375	17.0
86.03181	4.4
95.01280	4.9
96.00819	24.9
98.19769	1.8
98.34425	1.5
112.98525	2.0
112.99893	3.4
113.01625	2.5
113.02367	41.3
113.03498	10.5
113.05972	2.3
114.00885	5.2
114.01875	16.7
114.02648	2.6
114.05529	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	1137.7306
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03353	2.7
81.53831	0.1
82.03645	0.1
83.00809	0.2
83.01276	3.0
83.04916	7.0
84.05235	0.2
85.02840	1.8
87.00780	0.2
89.02342	1.6
93.03348	0.3
95.01295	0.6
97.02846	0.2
98.20589	0.2
99.00779	0.2
101.02349	10.5
102.02678	0.2
107.06049	0.1
108.02064	0.2
108.04457	0.2
113.02355	4.5
114.02682	0.1
119.03419	1.4
119.04900	0.1
123.04424	0.1
125.02358	0.4
125.07107	0.5
126.05550	0.2
129.55353	0.1
131.03439	1.3
137.02448	0.1
143.03458	1.5
143.08237	0.2
149.03307	0.1
149.04498	3.0
150.04877	0.1
152.01067	0.4
152.81792	0.1
155.03419	0.6
161.04501	5.0
162.04823	0.1
166.12410	0.1
167.03418	0.7
173.04462	0.2
191.05563	0.5
203.05592	0.7
207.14963	0.7
208.46887	0.1
221.06671	2.1
222.07018	0.1
224.17699	1.4
225.16095	7.6
226.16396	0.5
229.85242	0.1
242.18645	0.4
268.16696	0.1
270.57022	0.1
290.22531	0.1
309.21973	0.7
324.26688	0.2
327.08453	0.1
333.22949	0.4
341.29489	0.5
350.24292	0.1
357.09836	0.1
367.27133	1.0
373.22375	1.2
385.28238	0.3
414.08899	0.1
415.23495	1.9
416.23462	0.2
433.31931	0.8
450.34564	0.9
451.32996	6.7
452.33313	0.9
468.35617	0.2
476.32703	0.2
550.43799	1.0
559.39984	0.4
560.39709	0.1
565.44635	0.2
593.43896	0.6
659.48773	2.2
660.49176	0.4
677.49841	100.0
678.50159	17.3
679.50421	2.4
680.51300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	6.5
57.03337	15.0
58.02853	5.0
67.01759	2.6
68.01343	1.8
68.99465	28.5
69.03358	8.8
69.27651	3.3
69.28050	18.0
71.01269	5.6
71.02393	13.6
72.00802	9.5
72.99163	1.7
83.01258	2.7
84.02059	6.9
85.02850	57.6
86.02365	5.3
86.03159	3.2
87.73564	1.7
95.01353	2.1
96.00832	8.8
112.99815	1.9
113.02361	22.9
113.03483	6.6
113.05998	100.0
114.00870	2.8
114.01896	6.2
114.05537	4.5
114.06275	3.3
120.84039	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	1127.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	0.1
78.97698	0.1
83.01295	0.1
85.02854	0.5
87.00758	0.1
89.02349	0.1
89.03873	0.3
93.03323	0.4
95.04940	0.1
96.95910	0.2
98.20621	0.1
99.00779	0.2
101.02323	0.4
104.02596	0.2
105.03361	0.5
105.65315	0.1
107.04951	0.2
111.00769	0.1
113.02358	0.3
115.01825	0.4
117.03410	0.6
121.02903	0.1
123.04432	0.3
123.70602	0.1
132.02100	3.2
133.02884	38.6
134.03482	1.0
135.04451	10.5
136.04797	0.3
137.02359	0.9
139.03969	0.2
141.01921	0.1
149.06055	0.1
159.03201	0.1
159.04472	0.5
160.01620	0.2
161.02390	100.0
162.02725	3.3
163.04071	0.1
175.03961	0.2
177.05453	0.1
178.02687	0.2
179.03456	8.2
180.03815	0.3
191.05666	0.2
203.03464	0.4
219.03008	0.2
219.04956	0.1
233.40866	0.1
274.57697	0.1
299.01935	0.1
313.18076	0.1
321.06323	0.4
353.08521	0.1
357.88760	0.1
381.08484	0.6
435.13013	0.1
477.21445	3.9
478.21799	0.2
517.20978	0.9
518.21027	0.5
519.22449	79.3
520.22797	7.5
563.21594	0.3
682.01465	0.1
733.85724	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	1125.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01280	0.2
85.02844	0.4
89.03870	0.2
91.05373	0.0
95.01254	0.0
95.04955	0.1
99.00776	0.1
101.02340	0.5
104.02606	0.2
105.03364	0.5
107.04951	0.1
109.02855	0.1
113.02367	0.3
115.01828	0.3
115.40479	0.0
117.03397	0.5
121.02903	0.1
123.04443	0.2
125.02387	0.1
131.70554	0.0
132.01280	0.0
132.02097	2.5
133.02884	31.9
134.03285	1.2
135.04451	8.4
136.04776	0.4
137.02359	0.5
139.03972	0.2
148.60550	0.0
149.06035	0.1
150.03194	0.1
151.11166	0.1
159.03064	0.1
159.04459	0.6
160.01596	0.2
161.02393	100.0
162.02724	4.4
162.04153	0.1
163.02835	0.2
163.04112	0.1
173.06105	0.1
175.03966	0.1
177.05499	0.3
178.02725	0.3
179.03462	6.6
180.03836	0.3
191.05669	0.1
203.03497	0.9
218.21135	0.0
221.04457	0.3
247.06171	0.1
315.18256	0.1
323.07751	0.1
475.19809	2.3
476.20218	0.3
477.21371	2.4
478.21649	0.2
517.20886	41.6
518.21246	6.4
519.22406	40.6
520.22772	2.9
561.19922	0.9
562.20013	0.1
563.21423	1.2
564.21527	0.1
576.74518	0.1
1004.22644	0.1
1026.96484	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	1127.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
84.29414	0.1
85.02839	0.4
89.03841	0.2
93.03329	0.1
96.95901	0.1
99.00775	0.2
101.02341	0.4
104.02602	0.2
105.03371	0.6
107.04918	0.2
109.02817	0.1
113.02361	0.2
115.01786	0.2
117.03399	0.6
117.04082	0.1
121.02868	0.2
123.04456	0.3
123.11945	0.1
132.01147	0.2
132.02098	3.0
133.02882	37.4
134.03593	1.0
135.04448	9.7
136.04788	0.4
137.02362	0.5
139.03975	0.1
159.04448	0.6
159.05574	0.1
161.02390	100.0
162.02722	3.7
162.26205	0.1
163.03963	0.3
177.05304	0.1
178.02698	0.2
179.03461	7.3
180.03783	0.3
191.05600	0.3
203.03430	0.4
219.03035	0.1
219.04993	0.2
299.02026	0.1
321.06110	0.3
331.19070	0.1
381.08328	0.4
477.21402	4.6
478.21786	0.4
519.22455	88.3
520.22784	9.8
521.22742	0.2
563.21222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.275
Annotation	Unknow
Peak:m/z	Relative Intensity
81.58131	0.2
83.01271	0.6
83.04927	0.5
85.02834	3.1
85.72313	0.2
87.00774	0.7
91.01777	0.3
93.03346	2.2
107.01289	1.9
107.04939	0.6
108.02063	0.8
109.02850	1.2
111.04436	1.3
117.03377	0.3
121.02887	1.2
125.02373	0.3
127.03938	1.3
132.71231	0.2
133.02876	1.5
134.03658	3.0
135.00827	0.5
135.04445	36.0
136.04799	1.2
137.02330	0.4
141.88803	0.2
148.01620	0.7
148.13235	0.2
149.02353	0.2
150.20282	0.2
151.00305	6.9
151.29192	0.2
153.01888	0.3
155.03392	1.0
161.02379	4.5
161.05936	0.2
162.02881	0.2
163.00313	1.6
163.04004	0.3
163.70657	0.2
164.01070	0.4
169.01381	0.7
171.02911	0.5
173.04509	3.4
175.03978	0.3
178.99928	4.0
179.03450	35.5
180.03795	1.3
183.04587	0.2
187.04008	0.3
191.05574	73.5
192.00514	0.2
192.05913	1.9
199.04047	0.4
201.05516	0.2
203.03371	0.4
211.03969	0.9
215.03329	0.3
216.04305	0.6
226.02686	1.2
227.03516	1.9
229.01523	0.3
229.05060	0.6
243.00485	0.3
243.03000	6.3
244.03479	0.5
245.04526	0.7
251.07172	0.3
254.02263	1.8
255.03017	20.7
256.03421	1.2
257.04431	0.2
271.02530	44.0
272.02951	3.6
273.04126	1.0
283.02527	0.9
299.02133	1.0
299.05252	0.2
300.02798	76.2
301.03503	28.6
302.03763	1.9
335.07693	0.7
343.04718	0.9
353.08829	89.0
354.09183	4.6
382.72986	0.2
405.41296	0.2
515.12067	13.5
516.12689	1.2
609.14716	100.0
610.15015	12.5
611.15112	0.6
681.57996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03368	0.6
83.01281	1.8
85.02843	6.4
87.00283	0.2
87.00777	2.1
89.02338	38.4
90.02689	0.4
93.03350	0.3
95.01287	2.8
96.95898	0.1
97.02854	3.2
99.00784	0.3
99.04381	0.1
101.02349	19.3
102.02657	0.3
107.01288	0.2
107.03407	0.1
108.02110	0.2
109.02882	0.4
109.99502	0.1
111.04435	0.4
113.02359	15.3
114.02692	0.2
116.15392	0.1
119.03420	14.9
120.03782	0.2
121.02877	0.2
123.04432	0.2
125.02370	22.7
126.02717	0.4
127.03967	0.2
131.03430	1.8
133.02879	0.2
134.03641	0.1
135.04521	0.6
137.02373	0.2
139.00369	0.1
139.03934	2.0
143.03447	3.6
144.03709	0.1
149.04498	1.4
151.00293	0.2
152.01044	0.2
159.61537	0.1
161.02353	0.3
161.04497	4.9
163.03923	0.2
167.03444	1.3
170.71454	0.1
173.04506	0.1
177.01865	0.6
179.05574	40.4
180.05946	0.8
191.05556	0.6
275.27716	0.1
283.02579	0.2
285.04132	0.3
305.08847	8.1
306.08881	0.2
323.09891	9.6
324.10275	0.3
439.32181	0.9
440.32886	0.2
441.24799	0.2
576.37012	0.1
669.26044	0.2
931.72070	0.1
987.48108	0.8
1119.52551	100.0
1120.52771	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	1123.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95794	65.6
96.96861	4.6
125.87234	0.3
150.97914	1.3
152.99524	68.2
153.99857	0.8
171.00591	19.1
172.01015	0.3
181.19125	0.3
227.03304	3.1
245.04344	80.0
246.04663	1.3
253.21765	34.0
254.22128	1.7
481.25839	100.0
482.26172	5.7
678.18933	0.3
702.41095	0.3
795.23645	1.4
895.45068	0.7
1123.49207	28.4
1124.49487	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	1119.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03352	0.2
83.01288	1.0
83.61574	0.1
85.02843	9.3
87.00777	2.0
89.02339	32.2
90.02672	0.2
91.75734	0.2
93.03362	0.3
95.01289	2.4
97.02852	0.8
97.63976	0.1
99.00771	0.4
99.04418	0.3
100.58603	0.2
101.02350	15.9
106.73151	0.2
113.02358	15.3
114.02673	0.3
115.03933	0.3
119.03423	11.5
120.03784	0.3
125.02374	1.0
131.03459	1.4
135.04471	0.4
143.03432	4.2
149.04486	1.4
161.02405	0.4
161.04512	3.9
178.07065	0.2
179.05574	26.6
180.05902	0.6
191.05608	0.6
198.07845	0.2
229.14839	0.2
237.66164	0.2
252.81396	0.2
288.52612	0.2
299.09946	0.4
305.08798	0.2
323.09979	0.5
359.12042	1.3
439.32224	1.5
626.26660	0.2
784.09460	0.2
860.43933	0.2
865.74646	0.2
957.46893	0.6
987.47406	0.8
1101.51575	0.3
1119.52576	100.0
1120.52734	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	1114.6237
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95793	38.6
85.02785	0.1
91.33967	0.1
96.96862	6.9
116.27639	0.1
125.02323	0.1
133.02881	0.2
135.04430	0.3
150.97939	0.8
152.99524	51.3
153.99849	0.4
171.00587	1.6
191.05641	0.2
223.00133	6.8
241.01205	14.6
242.01642	0.2
259.02286	0.9
261.22479	0.2
265.62943	0.1
279.23346	37.9
280.23694	2.1
285.39288	0.1
315.04950	5.7
333.05823	0.7
389.61746	0.1
505.30859	0.2
595.29004	100.0
596.29382	7.8
596.36981	0.2
618.17688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01271	0.5
85.02840	1.4
87.00774	0.3
91.01743	0.1
93.03370	1.2
97.96524	0.1
107.01287	1.2
107.04948	0.2
108.02070	0.6
109.02858	0.9
110.68542	0.1
111.04430	0.5
117.03412	0.2
121.02858	1.1
124.01588	0.1
125.02351	0.3
127.03927	0.5
133.02890	0.9
134.03654	1.3
135.00826	0.4
135.04446	17.3
136.04788	0.4
137.02400	0.2
142.90785	0.1
144.02290	0.1
147.00723	0.1
148.01601	0.5
151.00299	6.1
152.00713	0.2
153.01888	0.2
155.03418	0.5
159.04500	0.2
161.02370	2.1
163.00331	1.4
163.03961	0.1
164.01050	0.2
169.01378	0.6
171.02858	0.2
173.04526	2.5
176.75967	0.1
178.99887	3.5
179.03455	17.3
180.03764	0.4
183.04517	0.3
187.03889	0.3
190.02722	0.2
191.05576	33.0
192.05910	0.7
193.01530	0.1
199.03981	0.4
201.05528	0.2
202.75694	0.1
203.03484	0.3
211.04034	0.5
215.03493	0.3
216.04149	0.3
226.02756	0.6
227.03493	1.4
229.01480	0.1
229.04961	0.3
239.03520	0.3
243.03029	4.5
244.03632	0.3
245.04565	0.8
248.00037	0.1
254.02269	1.1
255.03023	14.0
256.03476	0.9
257.04556	0.3
271.02533	28.9
272.03049	2.3
273.04013	0.6
283.02362	0.7
286.01410	0.1
297.04111	0.2
299.02097	0.8
300.02808	61.5
301.03537	28.3
302.03915	1.8
335.07819	0.4
343.04648	0.9
353.08835	44.6
354.09198	2.1
463.08667	0.2
515.12079	8.2
516.12280	0.7
595.13141	100.0
596.13495	9.5
597.13342	0.4
609.14728	1.1
610.15149	0.2
1127.02136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.6805
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03365	0.9
83.01271	0.4
83.04922	5.1
85.02844	16.7
87.00772	0.7
89.02340	0.9
94.90414	0.3
95.01293	0.4
95.04910	0.3
97.02855	2.7
99.00797	0.6
99.04433	0.5
101.02356	3.6
107.04891	0.3
109.06506	11.2
110.03628	0.6
111.04451	0.5
111.08089	0.3
113.02387	1.6
119.03378	0.4
121.06527	0.5
123.04451	0.4
123.08076	2.2
133.04985	0.3
135.08093	1.4
135.31647	0.3
136.05264	0.8
141.01801	0.3
142.02699	0.6
143.03380	0.3
145.05017	0.8
151.07509	0.3
157.37627	0.2
161.04492	1.7
161.09665	1.0
163.11235	6.5
165.09152	0.3
179.05562	0.3
179.10732	0.4
181.12350	1.4
189.09180	3.2
195.06607	0.3
207.10257	51.3
208.10571	2.0
209.11884	0.9
225.11330	14.8
226.11711	0.4
235.08253	7.1
243.12558	0.4
253.09326	12.2
259.20679	0.7
263.12909	0.4
273.22284	0.4
277.21783	100.0
278.22137	5.7
281.13937	0.4
299.15073	0.8
301.21799	11.8
302.22171	1.0
343.26535	0.6
375.08835	0.3
387.25500	54.5
388.25897	4.7
425.18280	0.8
429.43826	0.3
441.33887	0.9
443.19354	4.4
461.20447	4.2
467.31613	0.6
485.32877	0.7
513.30872	4.2
559.37000	0.3
609.80273	0.3
703.40918	4.5
704.41962	0.5
721.41870	56.6
722.42322	6.5
780.62769	0.2
1074.25354	0.3
1118.73718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
77.21568	0.1
83.01280	0.4
85.02833	0.3
93.03362	0.2
95.01240	0.1
95.04973	0.1
97.02858	1.3
97.06503	0.2
99.00821	0.1
100.01585	0.1
101.02353	0.6
107.04926	0.1
109.02869	0.6
109.06479	0.1
111.04433	0.1
113.02343	0.3
117.03371	0.1
119.04953	0.4
121.06519	0.2
123.08085	1.3
125.02347	0.3
127.07578	2.6
135.04393	0.1
137.02405	0.1
143.03427	0.1
145.02985	0.4
147.08020	0.3
149.06018	0.1
155.03416	0.1
161.04561	0.1
161.06018	0.1
161.09581	0.3
163.04021	0.3
163.07581	0.1
163.11241	0.2
165.05545	0.4
165.09094	0.1
165.46196	0.1
169.08652	0.1
173.04614	0.1
175.07639	0.1
175.11281	0.1
177.05539	0.1
177.09087	0.1
185.09604	0.1
187.07533	0.1
187.11305	0.1
189.05582	0.3
189.09203	0.3
191.07112	18.0
192.07463	0.9
203.05563	0.3
203.07259	0.1
203.10762	0.3
203.14375	0.6
205.08693	13.1
206.09300	1.4
207.10257	0.7
219.10336	0.1
221.06093	0.2
221.08218	2.7
222.08510	0.1
256.09320	0.1
269.19189	0.5
271.16989	0.1
285.04218	0.1
285.18735	0.2
287.20181	0.3
289.18216	0.1
303.19687	0.7
311.20276	0.3
313.18195	3.5
314.18524	0.3
315.19699	0.2
329.17761	0.2
329.21295	0.6
331.19232	100.0
332.19571	8.4
332.23773	0.1
333.19717	0.1
343.19241	0.1
345.20682	0.4
347.18619	1.3
347.22745	0.1
348.19220	0.2
349.20288	20.1
350.20593	1.7
355.19461	0.4
363.21973	1.2
373.20273	3.9
374.20578	0.3
385.20227	0.2
391.21393	2.9
392.21991	0.2
403.21402	0.2
415.21353	0.2
433.22256	0.1
475.22995	0.1
493.24814	0.1
553.13611	0.4
553.26788	0.1
554.13208	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	1107.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03355	0.1
83.01261	0.2
83.34399	0.1
85.02835	0.4
87.00767	0.1
88.77501	0.1
93.03358	0.2
95.04926	0.1
97.02853	1.5
97.06520	0.2
101.02357	0.9
109.02856	0.7
109.06490	0.1
111.04430	0.1
113.02327	0.4
114.17213	0.1
117.03360	0.2
119.04931	0.4
121.06510	0.1
123.00764	0.1
123.04388	0.1
123.08067	1.1
125.02374	0.3
127.07571	2.5
128.07936	0.1
145.02908	0.4
145.06433	0.1
147.08095	0.4
159.08147	0.1
161.09637	0.4
163.04013	0.4
163.07602	0.1
163.11235	0.2
165.05476	0.3
165.09181	0.2
167.03523	0.1
175.07565	0.1
187.07718	0.1
187.11290	0.2
189.05583	0.3
189.09119	0.2
191.07108	18.9
192.07460	0.8
193.05038	0.1
203.05589	0.2
203.10677	0.2
203.14322	0.5
205.08684	13.5
206.09319	1.3
207.10168	0.6
215.07202	0.2
221.08215	2.2
222.08560	0.1
229.08850	0.2
230.09502	0.2
247.09525	0.1
269.19235	0.5
271.17154	0.1
285.18637	0.3
287.20364	0.1
289.18213	0.1
303.19708	0.6
305.21204	0.2
311.20148	0.2
313.18210	2.9
314.18442	0.2
329.17557	0.2
329.21262	0.4
331.19223	100.0
332.19562	7.4
333.19958	0.2
345.20792	0.4
347.18735	1.2
348.19049	0.1
349.20273	22.9
350.20578	1.3
352.02124	0.1
355.19113	0.4
363.21979	1.1
373.20267	3.9
374.20596	0.3
385.20282	0.2
391.21402	3.2
392.21643	0.3
403.21167	0.3
421.22421	0.1
426.86493	0.1
433.22592	0.1
438.06012	0.1
475.22974	0.1
553.13599	0.5
553.26367	0.3
705.07898	0.1
744.80548	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	1105.525
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03355	0.3
83.01276	9.4
85.02847	6.8
87.00773	1.1
89.02339	14.7
93.03367	0.9
95.01307	2.3
96.95903	0.8
97.02858	1.2
99.00815	0.6
101.02350	33.5
102.02682	0.5
105.03375	1.2
108.00961	0.3
108.34890	0.3
111.00813	0.4
113.02362	15.9
119.03420	8.3
119.04929	0.9
123.08065	0.7
125.02396	2.1
129.01846	0.4
131.03435	3.6
133.02855	0.7
134.03671	0.3
135.04460	0.6
143.03429	4.1
147.04532	0.4
147.08102	1.1
149.04509	6.6
151.03951	3.2
151.07599	0.5
155.03438	1.3
161.02419	9.8
161.04498	11.1
161.09679	0.9
162.02667	0.7
163.03987	0.7
163.11201	2.0
176.04741	4.3
179.03458	17.1
179.05548	3.8
180.03781	0.7
189.05457	0.4
191.05594	1.5
191.07111	16.3
192.07469	1.0
193.04927	0.5
194.05821	12.9
195.06503	1.3
203.05562	1.5
205.08694	10.1
206.09277	1.2
209.08185	16.8
210.08594	0.7
221.06496	2.6
221.08351	0.9
229.28441	0.3
268.11395	0.3
269.19315	0.5
297.17352	0.3
315.18201	8.0
316.18503	0.4
329.17877	0.4
331.19226	100.0
332.19562	8.5
347.18744	0.3
349.20190	2.7
357.19290	8.7
358.19504	0.7
464.04987	0.3
496.41031	0.4
703.29626	1.2
704.30133	0.3
1105.43494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
80.24590	0.2
81.03342	0.3
83.01285	1.5
84.02085	0.3
85.02845	17.1
86.03165	0.3
87.00784	1.1
87.01217	0.2
89.01844	0.2
89.02341	2.5
93.03332	1.3
95.01292	2.6
96.95908	0.2
97.02876	0.4
99.00170	0.3
99.00785	4.9
101.02350	1.9
108.02080	0.2
109.02840	0.2
111.00796	2.3
111.04416	0.4
112.01575	0.8
113.02362	15.1
114.02660	0.4
117.03343	0.3
119.03333	0.2
119.04931	0.7
121.02881	0.3
125.02384	0.2
129.01839	0.4
131.03432	3.7
134.03659	0.5
135.04440	0.6
136.01585	0.2
137.02336	0.6
139.00304	2.6
145.72791	0.2
150.03183	0.4
151.03960	0.3
151.07526	0.4
152.01022	0.4
155.03481	0.2
157.01369	1.0
161.02443	0.3
163.03966	0.5
165.01907	0.2
169.01263	0.2
173.04573	1.2
177.01744	0.2
179.03394	0.3
180.04175	0.3
191.05582	2.9
193.05035	0.3
195.06647	1.3
196.06979	0.2
213.14983	0.3
272.84586	0.2
283.02478	0.2
299.02090	0.4
345.17252	0.3
409.31000	0.2
455.31799	0.4
485.33014	0.4
503.33963	2.2
504.34088	0.3
549.96332	0.2
552.25159	0.5
552.47290	0.2
599.35583	0.5
617.37122	1.2
620.82849	0.2
647.38055	1.7
665.39233	13.8
666.39801	2.2
693.38605	1.9
694.39355	0.2
707.40442	0.3
733.42596	0.3
747.39478	0.5
761.41614	2.0
762.41541	0.5
779.42358	1.9
780.42584	0.3
797.43848	0.7
811.41675	0.2
971.31793	0.2
1105.51038	100.0
1106.51428	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	1105.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95799	0.7
83.01281	2.3
84.02068	0.4
85.02846	22.7
85.99997	0.2
86.03185	0.4
87.00774	1.3
89.01912	0.1
89.02340	3.0
93.03346	0.3
95.01290	3.8
96.16679	0.1
96.96867	0.3
97.02858	0.5
99.00784	6.6
101.02352	3.6
111.00795	3.4
112.01598	1.5
113.02363	20.2
114.02718	0.4
115.00293	0.1
117.10746	0.1
119.04969	0.2
125.02326	0.2
129.01874	0.4
131.03438	4.4
133.02954	0.1
137.02402	0.1
139.00317	2.9
139.03925	0.1
141.01898	0.1
143.03479	0.2
149.04503	0.3
157.01390	1.0
159.02940	0.3
161.04527	0.5
163.03918	0.1
173.04510	0.3
175.02377	0.1
179.59802	0.1
191.05586	1.0
232.18297	0.1
233.09543	0.3
234.86208	0.1
236.17207	0.1
244.34171	0.1
263.07681	0.1
278.41656	0.1
282.56754	0.1
285.10855	0.1
323.09970	0.1
349.25842	0.1
409.31293	0.5
411.32745	0.4
427.32224	0.8
439.32413	0.6
455.31522	0.2
459.34933	1.4
471.31134	0.1
481.34106	0.1
483.31232	0.1
503.34155	0.9
621.39948	0.2
633.36603	0.1
665.39081	0.6
781.39990	0.6
841.42371	0.4
973.47296	0.2
1087.49927	0.1
1105.50952	100.0
1106.51172	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	1103.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
80.72555	0.1
81.03365	0.6
83.01277	1.7
84.02059	0.2
85.02845	5.3
87.00777	1.7
89.02340	29.1
89.95715	0.1
90.02708	0.2
93.03368	0.8
95.01288	2.5
96.95918	0.4
97.02857	3.1
99.00774	0.2
101.02350	17.3
102.02721	0.2
105.37190	0.1
107.01321	0.2
107.03437	0.2
108.02086	0.3
109.02845	0.4
111.04427	0.4
113.02362	13.2
114.02640	0.2
119.03423	12.6
121.02876	0.3
123.92998	0.1
125.02373	21.8
126.02699	0.4
131.03438	2.0
133.01376	0.2
133.02878	0.2
134.03679	0.5
135.00812	0.2
135.04430	0.5
135.05428	0.1
137.02353	0.4
139.00275	0.2
139.03963	1.7
143.03435	3.5
149.02461	0.2
149.04510	1.8
151.03926	0.2
152.01091	0.7
158.03712	0.5
159.04416	0.1
160.01607	0.6
161.02396	0.3
161.04514	4.0
167.03462	1.2
173.04495	0.3
173.05998	0.3
175.03995	0.7
177.01909	0.2
179.05577	29.6
180.05890	0.5
191.05606	1.1
193.05061	0.3
195.06525	0.2
197.52122	0.2
201.03893	0.2
207.06544	0.1
217.05023	0.2
243.06607	0.8
251.07849	0.2
283.02554	0.2
305.08835	7.2
306.09213	0.2
323.09909	8.0
324.10391	0.3
331.19080	0.2
349.09445	0.4
355.13086	0.2
439.32361	0.3
567.15253	0.6
568.15796	0.2
606.27179	0.2
626.45441	0.2
788.31537	0.5
788.81647	0.5
789.31494	0.2
1103.53101	100.0
1104.53320	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	1101.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01270	1.4
84.02068	0.8
85.02846	45.9
86.03161	0.6
87.00769	6.2
87.04414	0.4
89.02338	17.0
93.03362	0.4
95.01288	17.7
97.02857	2.2
99.00780	10.8
99.04427	0.4
101.02348	12.4
103.03905	0.5
108.02124	0.5
113.02360	86.8
114.02693	1.2
115.03918	0.7
117.01846	2.6
119.03425	4.7
125.02406	1.8
127.03850	0.3
131.03441	2.7
134.03653	0.4
137.02423	0.4
139.00296	1.1
143.03439	11.3
143.04579	0.7
149.04521	0.6
152.01126	0.3
157.19499	0.3
161.04504	31.4
162.04907	0.4
175.03854	0.4
176.89259	0.3
179.05586	14.5
180.05946	0.4
191.05589	0.8
207.46451	0.3
261.13721	0.3
341.10947	2.1
351.63947	0.3
439.32306	5.1
440.32944	0.6
825.43048	1.2
957.47247	100.0
958.47583	15.5
1101.51697	22.4
1102.51843	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	1101.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03871	0.3
81.03351	0.2
83.01276	1.1
85.02842	0.4
87.00790	0.4
89.02324	0.1
89.03866	0.5
93.03359	1.1
95.01284	0.3
95.04932	0.5
97.02853	0.7
99.00807	0.2
101.02341	0.5
104.02576	0.2
105.03362	0.8
106.04173	0.3
106.49257	0.1
107.04932	0.8
108.02100	0.2
109.02870	1.3
110.85111	0.1
111.00799	1.4
111.04445	0.5
113.02351	0.3
115.01807	0.4
117.03390	1.1
121.02036	0.1
121.02859	0.7
122.83244	0.1
123.04441	0.2
129.01837	0.2
130.04178	0.3
131.04938	0.3
132.02103	3.8
133.02885	45.4
134.03732	4.1
135.04449	50.1
136.04782	1.6
137.02370	1.0
139.03937	0.6
141.03423	0.1
145.02863	0.1
147.04460	4.9
150.03166	0.2
151.07555	0.4
152.01071	0.2
158.03673	0.2
159.04472	3.3
160.01636	0.3
160.04741	0.1
161.02393	88.1
162.02724	3.0
163.03961	0.3
165.01923	0.2
172.05251	0.2
173.06081	0.3
175.03938	0.2
177.05428	0.6
178.02727	0.6
179.03459	37.0
180.03804	1.0
183.02875	0.2
185.06097	0.1
187.07617	0.3
191.05547	0.4
191.07079	0.2
195.06593	0.7
196.05153	0.2
196.06844	0.2
200.04660	0.2
201.02217	0.1
201.03940	0.5
201.05597	0.9
201.40334	0.1
203.03505	1.2
211.03967	0.2
211.07523	0.1
213.05455	0.2
215.07149	2.0
221.04453	0.3
229.04988	0.2
229.08685	0.1
231.06714	0.2
233.04539	0.2
239.07185	0.5
240.62581	0.1
243.05144	1.3
257.05502	0.2
257.08124	1.0
259.06192	0.7
271.02560	0.2
299.02023	0.2
301.07285	0.5
313.07324	0.1
331.08511	0.2
331.19284	0.2
358.12363	0.2
363.07208	0.2
376.14777	0.1
381.09827	0.3
391.21579	0.1
399.23849	1.4
405.08621	0.3
417.25070	1.0
421.13083	0.4
449.12451	1.8
459.26208	1.1
476.43652	0.1
493.11526	2.6
494.11798	0.2
503.33249	0.1
511.12622	3.6
511.20306	0.2
512.12708	0.4
536.25842	0.2
553.13635	100.0
554.13965	11.5
554.23224	0.2
555.14197	0.5
609.14813	0.2
720.42218	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	110.9845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55803	0.4
56.94764	0.4
64.73396	0.4
67.01775	0.8
68.01305	0.8
70.87323	1.0
70.87656	0.8
71.24780	0.4
78.95795	100.0
83.01287	1.4
84.54787	0.4
110.89822	1.9
110.98445	3.8
111.00791	3.3
128.28429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01269	0.3
85.02814	0.9
87.00781	0.4
89.03861	2.5
93.03345	0.4
95.01274	0.7
97.02848	1.5
99.00813	0.2
101.02353	0.4
104.02565	0.3
105.03341	0.4
106.04167	0.5
108.02062	0.4
109.02849	0.3
111.00797	0.6
111.04431	0.3
113.02371	0.6
117.03374	5.0
119.04948	0.7
121.02872	0.2
123.00813	0.6
123.04417	0.3
124.01564	0.5
125.02371	4.7
132.02094	15.5
133.02916	3.0
134.03664	67.9
135.03915	1.7
136.01591	0.6
137.02385	1.0
145.02876	0.5
146.03674	0.5
147.04482	0.8
149.02368	0.4
149.06024	7.1
151.00328	1.8
151.03917	0.5
158.03680	3.0
159.04431	0.6
160.01607	71.1
161.02029	2.7
161.04486	0.2
162.03075	0.3
163.03949	0.7
171.04445	0.3
172.05200	0.9
173.04631	0.3
173.06029	4.0
174.03186	1.0
175.03960	80.0
176.04343	2.7
177.01952	0.9
178.02638	1.6
179.03438	0.4
185.06012	0.3
187.04071	0.4
187.07780	0.2
188.04811	0.4
189.05498	0.6
190.06339	0.2
191.05554	1.0
191.07124	0.8
193.05034	50.2
194.05353	1.3
200.04788	0.6
201.01906	4.5
201.03804	0.4
202.02696	6.1
203.03242	0.3
203.07013	0.2
213.05545	0.4
214.06290	0.8
215.03464	0.4
215.07060	0.9
216.04248	1.2
217.05052	11.6
218.05595	0.4
229.05064	0.3
230.05811	0.4
231.06628	1.5
233.08171	0.6
242.05922	0.3
247.06152	0.5
257.08325	0.2
259.06113	0.5
273.07794	0.4
275.09280	0.2
279.06735	0.2
283.06140	0.9
299.01956	0.3
300.06210	0.2
301.07227	10.7
302.07538	0.5
307.06244	0.5
319.08276	0.6
325.10919	0.7
329.08640	0.3
337.10699	1.0
353.09033	0.2
355.06824	1.3
355.10782	0.2
364.08176	1.2
367.10498	0.3
379.10410	100.0
380.10760	5.3
387.16580	0.4
452.65112	0.2
463.12662	2.4
464.12863	0.4
505.13654	25.2
506.13968	1.8
549.19702	0.6
883.62781	0.2
893.39307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6814
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95795	15.6
79.95607	0.3
79.96249	0.2
80.96419	1.2
85.02863	0.2
94.97993	0.4
96.96847	0.2
113.28774	0.2
122.98415	0.3
133.73058	0.2
134.97520	0.2
152.98495	0.3
152.99536	2.4
164.98563	0.3
168.04265	3.1
194.05714	0.2
224.06940	8.5
225.00755	0.7
242.08011	2.0
261.22324	0.5
277.21567	0.2
279.23349	88.8
280.23700	5.7
280.26761	0.3
504.31082	100.0
505.31412	7.9
519.27448	0.7
577.26801	0.6
578.27490	0.3
578.34851	4.4
579.28162	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	1097.6812
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95792	5.3
79.95589	0.1
80.96422	0.3
96.96870	0.1
97.06409	0.1
98.20554	0.1
152.99522	1.3
168.02867	0.1
168.04274	1.5
171.00609	0.1
191.05574	0.1
205.84801	0.1
211.37357	0.1
224.06937	1.0
225.00983	0.1
242.08005	2.6
261.22293	0.4
279.23343	100.0
280.23679	5.9
433.23340	0.1
504.31058	81.9
505.31393	7.0
519.27496	0.8
575.07782	0.1
577.27069	0.6
578.27258	0.4
578.34833	4.7
579.35138	0.5
755.81799	0.1
1126.54089	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	1095.6832
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95798	0.1
81.03352	2.8
83.01277	3.3
83.04916	6.5
85.02843	2.8
86.58726	0.1
87.00767	0.4
89.02341	1.3
95.01292	0.6
97.02855	0.3
99.00777	0.6
99.04420	0.2
100.07565	0.1
101.02347	10.5
102.02678	0.1
108.04424	0.1
109.02804	0.1
111.00817	0.1
113.02357	5.2
119.03407	1.3
119.68743	0.1
125.02394	0.6
125.07135	0.5
126.05548	0.2
131.03432	1.0
133.02876	0.2
135.04410	0.2
143.03456	1.2
143.08241	0.2
149.04504	2.1
151.00221	0.1
152.01076	0.1
155.03418	0.3
159.02904	0.5
161.02380	0.2
161.04504	5.6
162.04825	0.1
167.03479	0.5
173.04465	0.2
179.03444	0.2
179.05563	0.2
191.05605	0.5
191.65608	0.1
203.05547	0.7
205.03572	0.1
207.15012	0.5
221.06673	1.8
221.45343	0.1
224.17677	1.3
225.16089	9.2
226.16479	0.5
242.18776	0.3
271.02505	0.2
299.01923	0.2
300.02744	0.4
301.03354	0.3
308.22980	0.1
309.21854	0.6
313.16666	0.3
324.26593	0.4
331.17691	4.5
332.18076	0.3
333.22968	0.4
339.05353	0.2
341.29288	0.6
367.27203	1.0
373.18753	6.5
374.19116	0.3
385.28232	0.3
387.14575	0.2
417.17670	0.4
433.32019	0.9
450.34778	0.9
451.32996	7.4
452.33264	0.8
476.32678	0.1
515.11761	0.2
517.37677	0.1
535.38654	0.1
550.43500	1.0
559.39600	0.5
565.44647	0.2
593.43835	0.7
625.11938	0.2
627.12543	0.1
641.15826	0.2
659.48749	2.6
660.49225	0.5
677.49835	100.0
678.50140	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	1093.6342
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03356	0.6
83.01279	1.7
83.04914	1.1
85.02843	3.8
87.00241	0.2
87.00771	3.9
89.02337	10.4
91.03922	0.2
93.03363	0.5
95.01279	1.3
95.04904	0.2
97.02850	2.8
99.00790	1.3
99.04425	3.2
101.02345	13.2
103.00271	0.1
103.03909	0.3
109.02833	0.3
109.06506	0.2
111.00777	0.4
111.04440	0.6
112.01569	0.1
112.04163	0.1
113.02359	6.6
115.03911	0.4
119.03416	3.4
119.04848	0.2
121.02868	0.3
121.06512	9.6
122.06825	0.3
123.04460	0.2
123.08069	0.4
124.01545	0.1
125.02369	6.3
125.09639	0.6
126.02718	0.1
127.03920	0.3
129.01785	0.2
131.03455	0.7
131.04260	0.1
133.04971	0.4
135.04396	0.1
139.03960	0.6
141.01842	0.4
143.03436	2.8
145.02896	0.2
147.08060	0.2
149.04483	0.4
151.03891	0.2
151.11230	0.2
160.03552	0.2
161.02420	0.2
161.04497	3.2
165.12791	0.2
167.03470	0.4
167.10693	0.1
167.14392	0.2
169.04967	0.3
171.02962	0.1
179.05579	3.5
181.05000	0.1
185.04524	0.4
191.05571	0.2
199.06165	0.3
203.05582	0.3
211.12634	0.1
217.07230	0.5
219.05013	0.3
219.17590	0.3
221.06679	1.3
233.22754	0.2
235.08253	9.6
236.08614	0.2
245.06728	0.5
253.09245	1.6
259.20432	0.1
263.07834	0.8
271.20670	1.0
273.22183	0.2
275.20178	0.2
277.09695	0.6
277.21783	46.1
278.22110	2.6
287.07819	3.3
288.08371	0.2
289.21820	5.0
290.22104	0.3
291.23239	0.7
301.21667	0.2
305.08856	4.1
306.09094	0.2
317.21292	0.9
323.09949	1.2
335.22192	0.2
361.11584	0.2
371.26682	0.1
373.27637	0.9
379.12570	0.6
397.13593	100.0
398.13928	5.2
415.14664	32.1
416.14902	1.6
417.26608	14.4
418.27011	1.2
675.36078	8.8
676.36371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
77.72284	0.1
78.95848	0.1
83.01279	3.9
83.04923	1.0
85.02846	7.5
87.00779	1.0
89.02345	7.5
93.03406	0.2
94.81419	0.2
95.01286	2.5
95.01816	0.3
97.02859	3.1
97.16008	0.1
98.20173	0.8
99.00796	0.9
101.02351	13.1
102.02706	0.2
107.01270	0.2
107.04971	0.2
109.02898	0.5
113.02361	15.1
114.02734	0.3
115.03886	0.1
119.03427	2.9
119.04229	0.2
119.04913	0.1
120.17758	0.2
122.03690	0.6
123.08102	0.5
125.02369	0.7
125.14547	0.1
127.07603	1.2
131.03432	1.0
133.02925	0.2
135.04492	0.4
143.03441	1.3
145.02974	0.2
149.04492	0.8
151.00381	0.4
153.12296	0.2
155.03516	0.3
159.02962	0.2
161.02449	0.3
161.04514	4.2
163.04019	0.2
163.11304	0.2
165.09204	0.3
173.04588	0.2
173.90492	0.2
179.03430	0.2
179.05608	0.7
189.09178	0.3
191.05608	2.7
191.07167	2.1
191.10745	1.1
199.03972	0.2
203.05612	0.3
203.14479	0.3
205.08690	1.6
205.58011	0.2
221.06503	0.8
221.08542	0.2
227.03540	0.2
228.69305	0.1
243.03104	0.4
249.15100	0.3
255.03075	0.4
263.16678	0.2
271.02527	2.1
297.18484	0.2
299.02032	3.0
300.02817	2.2
301.03574	0.9
313.18225	1.1
315.19736	1.4
326.05453	0.5
331.19226	10.8
332.19534	0.9
333.20779	3.9
334.21216	0.3
345.20956	0.2
349.20285	11.1
350.20670	0.5
353.08829	0.7
373.20364	0.6
391.21268	0.4
463.09119	0.4
477.25052	59.2
478.25354	4.1
495.26169	8.1
496.26617	0.7
511.25418	0.4
537.27173	100.0
538.27515	8.4
538.35883	0.3
609.12549	2.4
610.13135	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	1093.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03351	0.2
83.01292	4.5
83.04920	0.5
83.83502	0.2
84.02055	0.4
85.02844	10.3
87.00775	2.6
89.02341	8.2
93.03369	0.9
95.01287	3.3
95.04948	0.7
97.02853	9.3
99.00778	2.3
101.02349	17.5
109.02876	0.8
109.06527	0.2
111.04435	0.4
113.02359	21.5
114.02708	0.4
117.03329	0.2
117.69061	0.2
119.03423	3.2
119.04865	1.5
121.06519	0.3
123.08098	0.5
124.01604	0.5
125.02369	1.8
127.07563	3.2
131.03429	1.1
135.04466	0.2
136.15506	0.2
139.03964	0.5
139.11249	0.2
143.03436	3.5
143.04649	0.3
143.04948	0.2
145.02873	0.3
147.04485	0.5
147.08078	0.4
149.04491	1.0
155.03416	0.2
159.02937	0.6
161.04504	16.3
161.09717	0.7
162.04805	0.3
163.04021	1.0
163.11200	1.2
165.09132	1.1
173.04526	0.5
177.12854	0.4
179.05585	1.1
187.07680	0.3
189.09201	0.8
191.05542	0.6
191.07138	3.4
191.10765	1.8
191.14470	0.3
195.08145	6.0
196.08429	0.3
203.05588	1.5
203.14346	0.3
205.08662	2.7
206.09302	0.3
209.11852	0.4
215.75305	0.2
219.17677	0.3
221.06616	0.5
249.09154	0.3
253.19675	0.2
259.20728	0.3
261.22327	0.4
263.16586	0.6
269.19345	0.3
281.03137	0.7
285.18893	0.3
287.20187	0.4
289.18185	0.3
289.21860	0.4
297.18686	1.0
299.16510	0.4
303.19830	0.8
305.21259	1.5
306.21692	0.2
307.05719	0.2
311.09369	0.5
313.18195	2.0
313.21619	0.3
315.19727	7.4
316.20212	0.3
331.19232	23.0
332.19598	1.4
333.20789	30.6
334.21191	1.9
341.05371	0.3
345.20718	0.4
349.20279	23.9
350.20694	1.5
357.20627	1.0
369.21017	0.3
373.20248	1.1
375.21771	0.8
391.21127	1.2
403.21149	0.3
417.23331	0.3
429.22974	0.6
441.22708	0.5
454.34396	0.2
469.12042	0.2
477.11902	2.4
477.25034	46.6
478.12222	0.3
478.25452	4.2
495.26138	25.1
496.26505	1.7
537.15356	7.2
537.27155	100.0
538.15240	1.1
538.27515	10.6
538.35815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03873	0.6
78.33086	0.2
80.02562	0.5
81.03355	0.6
83.01263	1.3
83.04916	0.8
85.02842	1.9
87.00772	0.9
89.02340	1.0
93.03358	9.0
95.01281	0.9
95.04931	9.3
96.99231	0.9
97.02856	2.7
97.99992	3.6
98.32027	0.2
99.00782	0.9
99.16580	0.2
101.02355	2.5
107.04973	0.2
109.02859	1.0
111.00805	0.6
111.04444	3.3
113.02361	2.7
115.00272	1.0
115.05453	0.6
117.03406	2.7
117.07005	0.2
119.04950	22.5
120.05280	0.7
121.02884	2.0
123.04478	0.6
125.02407	0.4
127.07597	1.1
130.04207	0.3
131.03464	0.3
131.04945	1.6
132.05693	0.2
133.02901	0.7
134.03676	0.3
135.04381	0.4
136.01561	0.2
137.02336	0.4
139.03941	6.1
143.03494	0.3
143.03711	0.3
143.04968	3.0
145.02908	3.6
145.06577	0.7
146.03304	0.3
147.04466	12.9
148.04741	0.2
151.00250	0.3
161.02444	0.4
161.04539	1.6
161.09648	0.5
163.03963	17.3
163.11298	0.2
164.04274	0.6
173.04556	0.9
173.82249	0.2
181.05032	0.4
183.02982	1.1
189.09213	0.3
191.05574	1.5
191.07153	1.2
193.06537	0.5
195.08139	95.7
196.08504	4.0
201.04044	0.4
205.08669	1.4
207.08189	0.4
219.08177	1.1
221.09738	3.0
223.11267	3.4
224.11462	0.2
237.09125	0.3
243.05145	2.1
247.07646	0.3
249.06798	0.4
249.09256	5.1
250.09637	0.3
267.10349	4.7
268.10703	0.3
281.03091	10.6
282.03543	0.3
293.08282	1.7
299.02063	0.3
311.09348	5.7
312.09943	0.5
313.18042	0.6
315.19742	1.2
331.19232	8.5
332.19586	0.6
333.20807	4.1
341.05206	3.7
349.20279	6.7
350.20667	0.3
353.10425	0.4
373.20303	0.4
391.21289	0.4
477.12042	37.1
477.24939	9.4
478.12244	4.1
478.25476	0.4
495.13083	1.0
495.26227	2.8
537.14166	100.0
537.26385	13.6
538.14484	10.8
538.27649	0.6
581.23340	0.7
637.64978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03362	0.2
83.01272	1.1
83.04902	0.2
85.02859	0.2
87.00770	0.4
89.03870	0.5
91.05421	0.2
93.03348	1.1
95.01292	0.3
95.04936	0.7
97.02847	1.3
99.00780	0.3
101.02358	0.4
104.02600	0.2
105.03370	0.7
106.04131	0.2
107.04920	1.0
108.02107	0.3
109.02856	2.0
111.00797	1.5
111.04434	0.4
113.02386	0.3
115.01805	0.6
117.03355	0.8
119.04982	0.1
121.02857	0.8
123.04430	0.4
124.01622	0.1
128.52525	0.1
129.01851	0.1
131.04948	0.6
132.01328	0.1
132.02097	4.2
133.02884	49.8
134.03716	4.4
135.04446	53.6
136.04782	1.3
137.02370	1.6
139.03946	0.8
141.03407	0.1
145.02916	0.2
147.04457	5.7
148.04881	0.1
153.01854	0.3
158.03624	0.2
159.03152	0.2
159.04466	3.8
160.01610	0.3
160.04733	0.1
161.02391	97.5
162.02725	3.2
163.03952	0.3
163.45416	0.1
165.01860	0.2
169.06569	0.1
172.05273	0.2
173.04575	0.2
173.06042	0.4
174.03278	0.2
175.03998	0.3
177.05484	0.8
178.02644	0.7
179.03459	42.4
180.03807	1.3
183.02951	0.4
185.06035	0.2
187.03995	0.2
187.07663	0.2
187.44165	0.1
189.05396	0.1
191.05571	0.6
197.05919	0.2
201.03963	0.3
201.05576	0.9
203.03494	1.1
211.07652	0.1
213.05598	0.3
215.07146	2.5
221.04552	0.4
229.05162	0.2
229.08728	0.2
231.06654	0.3
233.04640	0.3
239.07120	0.4
243.05110	1.7
255.06723	0.2
257.08255	1.3
259.06198	0.8
283.06000	0.1
301.03604	0.2
301.07220	0.8
303.19608	0.3
304.19885	0.1
313.07339	0.2
313.18085	0.3
329.17816	0.3
331.08353	0.2
331.19138	1.2
347.18704	0.8
348.18964	0.5
349.20004	0.2
371.18338	0.2
373.19943	0.3
381.09927	0.5
391.21329	1.7
405.08798	0.4
421.13007	0.5
433.21991	0.2
449.12408	1.9
493.11523	2.8
493.24219	0.3
494.11761	0.2
511.12646	0.5
553.13641	100.0
554.13965	11.4
554.22833	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	1089.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03346	0.7
83.01283	1.9
84.02074	0.1
85.02847	7.4
86.03207	0.1
87.00776	2.2
89.02341	36.0
90.02674	0.4
93.03352	0.1
95.01291	3.7
96.95937	0.1
97.02855	3.9
98.03189	0.1
99.00796	0.3
99.04414	0.1
101.02351	22.6
102.02692	0.3
107.01290	0.1
107.03413	0.2
108.02095	0.1
109.02861	0.4
111.00806	0.1
111.02117	0.1
111.04424	0.6
112.01654	0.1
113.02361	16.7
114.02683	0.3
115.03912	0.1
119.03424	14.2
120.03750	0.2
123.00793	0.1
123.04446	0.1
125.02373	25.8
126.02694	0.6
127.03950	0.1
131.03429	2.1
135.04376	0.1
137.02388	0.2
139.03949	2.3
143.03445	4.0
144.03853	0.1
149.02507	0.1
149.04500	1.8
154.57213	0.1
161.04507	4.2
162.04855	0.1
167.03448	1.2
179.05576	29.6
180.05898	0.5
181.23523	0.1
191.05551	0.2
251.07736	0.1
305.08859	6.7
306.09216	0.2
323.09903	7.8
324.10287	0.2
437.18521	0.1
439.32227	1.2
440.32465	0.1
473.14746	0.1
488.23578	0.1
641.32080	0.1
645.08972	0.1
687.12524	0.1
722.30139	0.1
788.31592	0.2
788.81451	0.2
789.31525	0.1
957.47095	0.9
1089.51477	100.0
1090.51794	20.1
1091.52112	0.6
1113.24609	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	1089.515
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01287	1.1
84.02058	1.3
85.02843	42.0
86.03174	0.7
87.00767	1.3
89.02338	6.3
93.03430	0.1
95.01286	18.1
95.25286	0.1
96.01628	0.3
96.95952	0.2
97.02856	0.4
99.00788	0.6
101.02346	1.0
111.00803	0.1
112.01546	0.2
113.02357	79.8
114.02695	1.7
115.03878	0.1
119.03452	0.1
125.02348	0.3
131.03435	1.0
139.00294	0.9
143.03427	2.1
143.04543	0.1
149.04509	0.6
161.04498	9.7
162.04880	0.3
191.05598	0.3
292.09232	0.1
311.09921	1.2
318.02097	0.1
331.19202	0.1
347.18710	0.1
439.32257	0.4
513.06226	0.1
517.32056	0.2
782.32867	0.1
808.43121	0.1
915.41388	0.1
957.47101	2.4
958.47638	0.5
1072.51331	0.1
1089.51453	100.0
1090.51758	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	1089.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95793	7.5
104.97337	0.2
110.98436	4.4
152.99532	0.5
167.01094	1.8
185.02161	3.4
261.22241	0.5
279.23343	100.0
280.23676	5.4
283.17020	0.2
447.25247	26.8
448.25562	1.6
481.15411	0.5
502.24985	0.2
555.19122	0.3
555.28497	0.3
560.61548	0.2
572.15778	0.2
605.30029	0.2
641.22882	0.7
662.85590	0.2
809.25061	0.6
871.62762	0.2
921.46686	2.8
922.47345	0.6
1057.45752	0.5
1089.48706	30.1
1090.48950	8.0
1090.72705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03253	1.0
81.51799	0.5
83.01131	15.8
83.01683	2.6
85.02695	13.0
85.03271	2.4
87.00629	1.4
89.02185	10.9
89.02801	1.7
93.03239	1.0
94.89487	0.5
95.01132	4.7
97.02698	5.1
97.06329	4.1
99.00638	1.8
99.04282	1.1
101.02187	51.5
101.03271	1.7
107.04823	0.9
109.02696	3.9
109.06362	0.5
111.04263	0.7
113.02188	38.3
113.03059	3.8
114.02535	1.0
119.03251	7.1
119.04803	0.7
121.02663	0.6
121.06396	0.9
121.66982	0.5
123.04380	0.6
123.07906	6.5
125.02184	2.6
127.07405	2.3
131.03256	5.7
133.02704	10.1
134.03581	0.9
135.04443	6.1
137.02251	1.0
143.03453	7.6
147.02765	0.8
147.07939	0.6
149.04507	13.6
151.03830	0.9
155.03267	1.8
161.02219	27.2
161.04335	31.5
161.05804	1.4
161.09584	0.8
162.02695	0.8
162.04826	0.8
163.03899	1.1
163.11133	0.6
173.04370	1.3
175.03854	0.6
179.03503	3.8
179.05437	1.2
189.09181	7.6
191.05577	3.4
191.07104	27.3
192.07442	0.9
203.05550	2.5
205.08684	21.2
206.09120	1.8
207.10243	10.9
219.13722	1.4
221.06503	11.6
221.08208	2.6
224.04567	0.5
245.11821	1.6
263.12839	1.6
265.04871	0.8
271.02527	0.9
275.13043	0.7
279.06473	0.6
285.18600	0.9
287.12994	0.8
297.07861	0.9
299.02084	1.9
300.02725	0.8
303.19684	1.5
307.06323	0.6
313.18173	100.0
314.18478	6.5
327.19769	0.5
329.17682	23.8
330.17996	1.4
331.19162	1.8
335.01926	0.6
337.10806	1.1
338.10980	0.6
341.06763	0.9
347.18707	37.2
348.19125	2.1
353.09009	1.0
361.20447	0.7
371.18619	3.3
385.05740	0.9
389.19904	2.3
401.20032	0.6
475.23511	54.1
476.23636	3.6
493.25003	2.5
535.26074	71.8
536.26447	6.9
582.01904	0.6
594.50153	0.5
889.64368	0.5
1081.97070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03335	0.7
83.04958	0.4
85.02868	0.8
89.90812	0.4
93.03368	3.5
95.01253	0.4
95.04921	1.0
96.95908	0.9
97.02850	0.9
99.04376	0.5
101.02359	0.5
105.43314	0.3
108.02135	0.4
109.02875	3.0
113.02366	0.5
121.02862	2.6
122.03660	6.9
123.00784	1.4
123.04449	1.2
124.01557	0.6
133.02881	1.6
134.03722	0.6
135.04442	2.1
136.01601	0.8
137.02385	6.5
137.03349	0.7
144.64700	0.4
147.04459	0.4
147.08096	0.5
149.02399	11.8
149.06027	0.5
150.03174	36.3
151.00317	5.9
151.03984	2.3
152.01053	0.8
152.04749	2.2
153.05585	0.5
158.03685	0.5
159.04410	0.5
159.08134	0.7
161.02408	1.1
161.09702	0.5
163.03905	0.4
164.04753	2.8
165.05531	36.3
166.02675	13.5
166.04028	0.8
166.05864	0.8
167.03386	1.7
173.04535	0.6
173.09694	1.0
175.03986	1.7
177.01878	0.8
177.05530	1.2
178.02704	0.8
179.03435	1.2
179.07118	0.7
180.04256	2.8
181.05038	16.8
182.05397	0.6
184.03752	0.6
187.03978	1.6
187.11214	0.7
188.04790	0.4
189.05600	0.7
189.12830	22.1
190.02623	0.5
190.06345	1.2
190.13231	0.8
191.03386	0.3
191.05551	2.3
191.07129	5.2
192.04216	0.4
193.05098	1.3
195.06621	16.7
196.06894	0.6
202.06401	0.4
204.04233	0.8
205.05135	3.4
205.08702	15.7
206.05887	0.4
206.09094	1.0
207.06628	0.9
207.10257	0.9
219.06717	0.4
220.07426	2.0
221.08197	1.1
221.15489	1.1
241.46310	0.3
243.14081	0.9
266.05841	0.4
269.19110	2.5
282.05493	0.6
283.17545	0.4
302.80237	0.4
313.18179	100.0
314.08020	0.5
314.18497	7.3
315.08899	1.0
325.07712	0.5
329.10385	1.1
331.19348	3.2
359.11209	0.4
387.10135	2.8
387.15295	2.9
402.13342	3.1
403.14063	1.0
416.14578	0.9
417.15649	21.4
418.16080	1.5
517.14722	0.6
520.17871	0.6
535.16608	2.0
550.18634	1.3
565.20972	28.7
566.21173	2.9
583.21887	1.6
595.22046	2.2
613.23102	50.0
614.23273	5.9
775.28174	0.7
897.43304	0.8
1038.79980	0.5
1089.50330	4.0
1090.51123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03356	0.4
83.04926	0.7
85.02841	0.9
87.00782	0.3
89.03860	1.4
93.03363	3.9
99.00791	0.1
106.04153	0.3
107.04964	0.2
109.02840	0.4
111.04436	2.8
112.54714	0.1
113.02370	0.2
117.03379	8.1
118.03721	0.2
119.04957	0.1
120.25165	0.1
125.02373	0.1
127.03950	0.5
129.01843	0.3
132.02145	0.4
133.02896	1.7
134.03670	88.9
135.04527	4.2
136.04790	0.2
137.02365	0.9
149.06032	6.3
150.06354	0.2
155.03464	3.3
156.03737	0.1
158.03670	0.1
160.01619	1.7
161.01065	0.1
161.02397	2.6
165.05515	0.1
173.04521	6.7
174.04897	0.2
175.03960	1.6
176.04308	0.1
178.02670	0.5
179.03468	3.8
180.03889	0.2
191.05591	12.9
192.05898	0.4
193.05038	90.3
194.05365	3.4
194.07164	0.2
201.01971	0.1
217.05038	0.2
229.11336	0.1
271.02609	0.1
301.07236	0.2
335.07800	1.1
339.05017	0.1
349.09460	0.2
353.08871	5.0
354.09256	0.3
367.10410	100.0
368.10760	5.8
368.15582	0.1
379.10507	1.5
387.16571	0.4
401.14926	0.1
505.13702	0.7
529.13635	4.2
529.21527	0.2
530.14014	0.4
549.19897	1.0
650.39148	0.1
705.66901	0.1
739.50378	0.1
917.27692	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	1075.498
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00768	2.6
78.95791	1.0
81.03352	0.1
81.49129	0.1
82.20148	0.1
83.01279	2.3
84.02065	0.3
85.02846	26.6
85.99987	0.1
86.03168	0.4
87.00778	0.9
87.44701	0.1
89.02339	4.4
93.03375	0.2
95.01286	3.7
96.96865	0.3
96.99214	0.1
97.02857	0.7
98.09013	0.1
99.00783	6.2
101.02357	1.1
103.00269	0.2
109.02903	0.1
111.00795	4.9
112.01644	0.4
113.02360	24.5
114.02689	0.4
115.00275	0.2
115.03943	0.1
117.01845	0.1
119.03375	0.1
119.04904	0.1
125.02341	0.1
129.01878	0.4
131.03433	7.1
132.03758	0.1
137.02434	0.1
139.00314	4.5
141.06839	0.1
143.03389	0.2
149.04468	0.5
151.03882	0.1
157.01379	1.3
173.04501	0.3
179.03503	0.1
191.04047	0.1
191.05562	0.7
233.09497	0.3
296.63138	0.1
296.68985	0.1
323.09818	0.2
387.28732	0.1
393.28268	0.1
407.29544	0.3
408.29926	0.1
409.31168	0.3
411.32709	0.2
425.26556	0.1
427.32333	0.2
439.11060	0.1
439.32321	0.2
441.30170	0.5
443.31488	0.1
453.30200	1.2
454.30502	0.1
455.31815	2.5
456.32187	0.3
459.34970	0.1
467.32312	0.1
471.31250	2.0
472.31790	0.2
483.31329	1.3
484.31384	0.1
485.32837	1.6
486.33533	0.2
501.32401	0.9
502.32867	0.1
503.33914	9.4
504.34354	1.3
531.33368	1.8
532.33435	0.3
545.35016	0.1
547.19263	0.1
559.32996	0.6
571.19653	0.3
585.34241	0.9
586.34912	0.2
599.36029	5.3
600.36481	0.8
603.35376	0.1
617.37079	3.0
618.37512	0.6
619.35016	0.7
620.34900	0.1
635.38153	0.7
661.36682	0.2
679.37195	0.2
749.41089	0.2
811.41638	0.2
841.42224	0.2
881.46100	0.2
899.45911	0.2
925.44836	0.1
943.45734	7.3
944.46008	1.8
945.45758	0.1
1058.48462	0.1
1075.49915	100.0
1076.50293	23.6
1077.49646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
75.55003	0.2
83.04924	4.9
84.05295	0.2
85.02859	0.2
87.93526	0.2
93.03368	0.2
97.06501	1.3
99.04426	19.2
100.04773	0.2
107.04954	0.2
109.06477	0.2
111.04426	0.5
121.06480	0.3
123.08080	1.7
125.09656	0.4
137.09729	0.2
147.11758	0.6
149.09680	0.7
149.13301	0.7
163.11214	0.3
165.12802	0.8
167.10724	1.1
167.14355	0.6
173.04622	0.2
183.04550	0.2
188.87662	0.2
189.12863	0.2
191.05608	1.5
191.14453	0.2
193.12276	0.3
203.14566	0.2
205.80333	0.2
209.11885	0.2
219.17625	0.6
233.15541	0.2
251.16615	0.7
257.18982	0.4
273.22293	1.5
274.22711	0.2
277.21860	0.3
291.23581	0.2
299.20319	0.3
317.21320	11.5
318.21613	0.7
335.22305	2.8
417.26590	25.4
418.26859	2.1
441.15771	0.2
451.14554	0.2
452.11053	0.2
453.12106	0.5
455.17508	0.4
457.18896	1.1
459.16888	0.5
467.13641	0.8
473.18427	0.3
480.14478	0.6
481.11703	1.0
481.16321	0.4
482.11642	0.4
495.12415	0.4
495.17117	0.6
496.13995	6.0
497.14517	3.0
498.15536	1.1
509.14722	0.6
510.15692	2.1
511.16391	5.0
512.17084	2.2
513.17859	1.9
514.17737	0.3
523.16595	0.2
524.17407	0.2
528.13354	0.5
530.14563	0.7
537.14508	0.3
538.15125	0.7
539.19177	0.6
544.16150	3.0
545.16730	0.9
551.16132	0.4
553.17255	0.5
554.17419	0.2
556.16693	0.3
567.18939	1.9
568.19495	0.3
570.17755	0.9
571.18512	2.5
572.18701	0.4
583.18524	0.5
589.19672	0.8
597.20282	2.0
598.20770	1.8
599.21722	11.3
600.21918	1.7
602.16736	0.7
614.20282	0.3
625.19501	0.6
630.19434	1.0
631.20789	0.6
657.22235	5.5
658.22107	1.1
975.44678	0.4
1075.49536	100.0
1076.49817	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.52
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00768	2.4
83.01279	2.4
84.02056	0.3
85.02844	23.2
86.03168	0.3
87.00774	1.2
89.02338	4.3
93.03361	0.3
95.01284	3.3
95.01897	0.1
96.95927	0.2
97.02848	0.5
99.00780	4.3
101.02354	1.1
103.62133	0.1
111.00793	5.2
111.04399	0.1
112.01594	0.1
113.02358	19.9
114.02692	0.4
115.00313	0.2
121.02859	0.2
129.01813	0.5
131.03427	6.5
132.03711	0.1
132.52432	0.1
134.03694	0.1
135.04500	0.2
137.02370	0.3
139.00313	3.7
143.03421	0.1
145.05064	0.1
149.04485	0.6
151.07632	0.1
155.03456	0.1
157.01376	1.1
161.04517	0.1
162.95270	0.1
173.04468	0.4
175.02489	0.1
179.03387	0.2
190.07161	0.1
191.05582	1.4
195.06610	0.4
215.05457	0.1
305.67072	0.1
323.09802	0.2
357.11929	0.1
389.03513	0.1
391.30008	0.2
393.31653	0.2
405.31519	0.1
409.27545	0.3
421.27261	0.2
425.30646	0.6
437.18173	0.2
437.30731	1.0
439.11414	0.1
439.32303	3.2
440.32565	0.5
451.32162	0.1
455.31741	1.0
467.31635	1.2
469.33405	1.3
485.32828	1.2
486.32980	0.1
487.34406	5.4
488.34552	0.6
515.33850	0.8
516.34656	0.1
541.31573	0.1
543.33459	0.2
555.37463	0.2
569.35046	0.3
583.36603	5.3
584.37085	0.7
601.37610	3.0
602.38147	0.3
619.38379	0.3
633.40552	0.3
722.29474	0.2
788.31842	0.1
795.31683	0.2
865.47430	0.2
927.46057	2.1
928.46442	0.5
1055.51550	0.1
1059.51758	0.3
1073.51953	100.0
1074.52332	21.3
1089.51111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00767	1.3
81.03361	1.0
82.01718	0.1
83.01279	2.4
83.04910	1.8
85.02845	2.4
85.99982	0.2
87.00787	0.3
89.02341	0.5
93.03355	0.3
95.01277	0.4
97.02850	6.9
99.00780	0.7
99.04403	0.3
101.02339	3.8
107.04892	0.2
107.35618	0.2
109.02860	3.9
109.03593	0.2
110.03657	0.5
111.00777	0.3
111.03738	0.2
111.04436	2.8
113.02362	3.9
116.88605	0.2
119.03384	0.2
119.04784	0.2
121.02888	0.2
123.04445	0.3
125.02365	3.0
127.03938	0.4
127.07558	0.3
133.02931	0.2
134.03609	0.2
135.04453	0.5
143.03423	2.2
146.00742	0.2
155.03426	2.6
155.08578	0.2
157.10170	0.2
161.02414	0.5
161.04514	0.8
165.05525	0.6
173.04529	0.2
179.03459	0.2
180.62447	0.2
187.11151	0.4
189.12784	1.2
191.05542	0.4
191.07150	0.2
203.05592	7.7
203.14281	0.2
204.05907	0.2
205.08733	0.6
205.12437	0.3
207.10268	0.2
233.15425	0.2
235.17097	0.3
241.19627	0.5
257.19116	0.7
259.20712	0.6
269.15561	1.2
269.19073	0.6
270.15710	0.2
271.02264	0.3
271.17105	0.3
271.20697	0.2
275.79306	0.2
283.17123	0.4
283.20660	0.2
285.18665	13.3
286.19031	1.2
287.20233	5.1
288.20706	0.2
289.21848	0.2
299.01990	0.3
301.21844	0.3
311.16522	2.0
312.16910	1.6
313.18155	37.4
314.18524	3.4
315.15948	0.2
315.19543	0.2
317.21384	0.9
327.19626	0.5
329.17624	1.1
329.21143	0.4
330.18222	1.4
331.19208	100.0
332.19568	7.2
343.19263	2.3
343.71506	0.2
344.19339	0.2
345.20773	17.4
346.21066	1.5
353.17621	0.3
354.17993	0.2
355.19119	1.2
357.20804	0.5
359.22372	0.4
373.20267	87.4
374.20590	7.6
374.25348	0.3
375.21725	0.2
385.20511	0.8
403.21317	6.0
404.21710	0.6
409.48242	0.2
415.21423	0.6
439.32431	0.2
445.22375	0.2
475.23560	0.6
535.25507	0.4
738.54553	0.2
755.33923	0.2
818.94849	0.2
825.44196	0.3
1073.51392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00768	0.6
81.03336	0.2
83.01283	1.3
84.02061	1.4
85.02847	46.6
85.45273	0.2
85.51690	0.2
86.03183	0.5
87.00777	3.0
87.03842	0.1
87.04417	0.5
89.02338	10.3
95.01290	17.6
96.01628	0.3
97.02850	1.2
98.57788	0.1
99.00787	2.8
99.04357	0.2
101.02345	1.7
105.06438	0.2
111.00788	0.3
112.01538	0.3
113.02361	88.6
114.02693	1.5
115.03907	0.3
117.01868	0.3
123.08943	0.2
125.02389	1.0
131.03429	2.0
133.02908	0.2
135.04459	0.5
137.02345	0.2
139.00319	1.4
143.03442	3.8
149.04504	1.5
152.27301	0.2
161.04509	20.9
179.03458	0.2
191.05626	1.0
233.79440	0.2
311.09909	1.7
389.95367	0.2
439.32288	3.1
440.32755	0.3
467.31717	0.6
485.32907	0.7
581.34576	0.5
599.36603	0.2
621.81140	0.2
795.42023	1.2
925.43665	0.3
927.46185	100.0
928.46527	13.8
1071.50464	20.3
1072.50977	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	1071.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00771	1.4
81.03365	1.2
83.01270	0.5
83.04884	0.3
85.02847	2.7
87.00777	0.2
89.02336	0.2
93.03353	0.8
95.01288	0.2
95.04941	0.2
95.66187	0.2
97.02850	29.1
98.03169	0.4
99.00801	0.3
99.04410	0.2
101.02370	1.8
105.06992	0.6
106.04115	0.2
107.04942	2.2
108.02095	0.4
109.02858	5.2
109.03597	0.3
109.06506	0.2
111.00845	0.2
111.04425	0.3
113.02360	1.1
119.04945	0.4
121.06505	0.7
121.44391	0.2
123.04446	2.0
123.08070	0.3
125.02353	0.8
127.03941	0.3
128.04799	0.2
131.03471	0.3
134.03609	0.2
135.04462	0.3
137.02338	0.2
138.01881	0.2
143.03445	0.4
143.08572	0.5
145.06636	0.2
149.06000	0.5
151.03952	1.6
155.03410	0.6
161.02362	0.3
161.04506	0.3
161.09689	0.5
162.03177	0.4
163.07564	0.3
165.05525	9.4
166.05872	0.5
173.04564	0.4
175.03926	0.3
183.11850	0.4
189.12814	0.3
191.05571	1.6
197.13306	0.3
199.14955	0.8
201.12823	1.5
203.05663	1.1
205.08685	0.3
207.06564	0.3
215.06870	0.2
219.13898	2.4
220.14120	0.2
237.13011	0.2
243.13919	1.1
249.16513	0.5
263.18149	0.2
267.17603	0.7
279.17490	0.3
285.18701	0.7
291.17615	0.7
295.17041	0.5
297.18799	0.2
307.17078	0.3
309.18842	1.3
311.16589	100.0
312.16940	7.0
313.18234	1.5
323.16565	0.2
325.18137	1.1
329.17639	40.1
330.17923	3.1
331.19229	1.8
332.19418	0.2
335.16565	2.0
336.16885	0.2
343.19434	0.8
353.17639	13.4
354.18057	1.0
365.17661	0.2
371.18713	7.5
372.19043	0.6
383.18805	0.4
395.18546	0.6
401.19748	0.4
413.20065	0.4
432.80948	0.2
434.69357	0.2
455.21106	0.2
473.21774	0.3
477.32217	0.2
480.16214	0.3
577.22772	0.5
764.38232	0.2
791.76733	0.2
979.00104	0.2
1071.50708	1.8
1072.50330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03875	0.1
81.03355	0.1
82.50921	0.1
83.01281	0.2
85.02870	0.2
87.00766	0.1
89.03864	0.3
91.05439	0.2
93.03365	0.2
95.01324	0.1
95.04936	0.1
97.02853	1.3
98.20591	0.1
99.00811	0.1
104.02588	0.2
105.03368	0.6
106.04170	0.1
107.04944	0.6
108.02077	0.1
109.02858	0.4
111.00798	0.1
113.02385	0.2
115.01800	0.3
117.03380	0.6
121.02856	0.3
123.04449	0.4
125.02370	3.3
131.04961	0.1
132.02100	2.6
133.02884	37.7
134.03734	2.4
135.04448	40.1
136.04773	1.2
137.02376	0.7
139.03951	0.2
143.04936	0.1
145.02878	0.1
147.04448	0.2
148.05191	0.1
149.02428	0.1
149.06036	0.2
150.03165	0.1
155.03395	0.1
159.04440	0.5
160.01561	0.1
161.02391	100.0
162.02725	3.3
163.03918	0.2
171.04413	0.2
173.06018	0.2
175.04019	0.4
177.05478	0.3
178.02692	0.3
179.03458	24.2
180.03819	0.7
185.06097	0.1
189.05553	0.2
191.05580	0.2
201.05579	0.3
203.03517	0.7
215.03529	0.1
215.07190	0.1
221.04523	0.2
229.05104	0.1
233.04596	0.1
245.04582	0.1
247.06161	0.1
263.05386	0.1
280.56271	0.1
305.06744	0.2
323.07791	0.7
353.08734	0.2
365.08835	10.9
366.09219	0.6
391.62418	0.1
449.10983	3.7
450.11349	0.3
491.12042	98.3
492.12396	7.4
493.12686	0.2
521.40448	0.1
535.10840	0.4
623.16266	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	1059.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
73.65144	0.2
77.03860	0.9
77.78645	0.2
78.95789	0.2
81.03346	2.0
83.04914	1.9
85.02845	6.1
87.00773	8.5
89.03854	0.7
93.03360	51.1
94.03692	1.1
95.01266	0.3
95.04926	2.6
97.02852	0.3
98.20654	0.2
99.00781	0.7
99.04409	0.8
101.02364	0.6
105.03372	9.6
106.04147	0.8
107.04948	0.5
108.02091	0.9
109.02871	3.0
111.00787	1.2
111.04432	8.0
113.02371	0.4
115.03903	0.2
117.03356	0.3
121.02884	1.9
123.04411	1.2
124.01591	1.7
125.02325	0.5
127.03942	2.0
129.01872	1.2
132.02112	2.8
133.02884	62.2
134.03703	12.1
135.04454	28.5
135.05247	0.4
136.04820	0.6
137.02382	9.1
138.02705	0.2
139.03938	2.4
143.03377	0.3
149.02365	0.9
150.03177	2.1
151.03938	2.6
153.01825	0.4
155.03453	4.4
159.04433	0.4
160.01596	2.1
161.02402	4.2
161.04483	0.2
162.03046	0.2
163.03944	0.3
165.01849	0.3
171.02936	0.6
173.04515	20.1
174.04843	0.5
176.04880	0.3
177.01900	27.2
178.02678	15.4
179.03464	8.1
180.03838	0.3
187.04005	0.4
191.05586	42.5
192.05878	1.3
211.13406	2.6
215.05603	2.4
277.21799	3.3
278.21942	0.2
283.13391	0.8
299.16696	0.6
301.14456	0.3
307.08258	0.4
308.09018	1.2
309.15070	1.4
310.15582	0.3
311.12646	0.2
325.14407	0.3
327.16083	3.1
343.15561	0.2
345.17059	0.4
351.07278	5.0
352.07983	0.8
353.13687	1.0
371.15198	0.5
456.38266	0.2
513.90112	0.2
523.80109	0.2
707.43982	0.7
823.46649	1.1
841.47528	5.9
842.48236	0.8
849.45001	0.4
867.45557	11.4
868.45923	1.9
885.46606	12.5
886.47192	2.4
1041.51160	0.6
1059.51941	100.0
1060.52246	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	1067.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
73.95570	0.1
75.29895	0.2
81.03352	0.4
83.01274	0.3
83.04910	0.3
85.02839	4.7
87.00766	1.0
93.03357	3.1
95.01299	0.9
97.02834	0.4
98.20539	0.4
99.00764	0.4
99.04443	0.2
101.02348	0.2
105.03384	0.2
107.04934	0.5
108.02078	32.6
108.33400	0.2
109.02892	6.3
111.04419	1.2
113.02396	0.9
114.09212	0.2
117.03366	0.4
119.04959	0.3
121.02872	13.8
122.03188	0.3
123.00800	0.5
123.04459	1.5
125.02364	0.4
127.03925	1.4
133.02887	2.3
134.03683	2.8
135.04451	33.6
136.04781	1.3
137.02348	0.6
139.03957	0.3
145.02858	0.2
147.04379	0.2
149.02376	0.7
151.03993	1.0
152.01093	65.4
153.01785	3.2
155.03447	1.0
155.04514	0.2
161.02391	4.3
163.03938	3.1
165.01964	0.2
165.05470	0.3
171.02934	0.3
173.04527	3.2
177.01894	3.2
178.02542	0.2
179.03458	32.6
180.03810	1.0
191.05580	63.8
192.05927	2.2
193.01413	0.2
193.06119	0.2
195.02966	0.5
207.02943	0.7
219.02922	0.2
237.03911	0.2
297.06281	0.7
315.07346	1.3
335.07782	0.5
351.07297	0.5
353.08841	76.8
354.09174	5.1
355.09644	0.2
369.08258	0.9
371.05890	0.2
411.09186	0.2
429.10443	19.6
430.10822	1.5
491.12112	0.6
507.11508	0.3
515.12073	6.9
516.12372	0.9
531.11432	0.5
551.14172	100.0
552.14520	9.9
552.23334	0.4
553.14685	0.3
768.69739	0.2
812.66302	0.2
1083.30933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.52
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03865	0.2
78.95818	0.2
81.03353	1.6
81.35716	0.2
83.04925	1.3
85.02850	4.9
87.00775	7.2
90.98087	0.2
92.54454	0.2
93.03363	50.5
94.03703	1.0
95.01290	0.3
95.04938	0.4
97.02843	0.3
99.00240	0.2
99.00806	0.7
99.04419	0.4
101.02331	0.3
105.03368	2.2
106.04156	0.2
107.04935	0.6
108.02071	1.3
109.02868	2.9
111.00812	0.7
111.04440	5.0
112.04756	0.2
113.02391	0.4
115.03962	0.4
117.03355	0.3
121.02883	1.3
122.03676	0.3
123.00874	0.2
123.04440	0.7
124.01590	2.2
125.02393	0.8
126.03207	0.3
127.03930	1.2
129.01878	0.9
132.02100	2.1
133.02890	18.2
134.03697	4.3
135.04454	45.0
136.04750	1.1
137.02382	2.7
137.06039	0.2
139.03964	0.9
149.02374	0.6
149.06001	0.2
150.03180	1.8
151.03961	4.1
153.01831	0.2
155.03448	1.8
159.04434	0.2
160.01630	1.9
161.02409	3.7
162.03217	0.4
163.03969	0.3
171.02991	0.3
173.04517	10.5
174.03165	0.2
174.04750	0.2
175.03960	0.2
177.01897	5.5
177.05466	0.3
178.02661	3.0
179.03465	9.0
180.04028	0.4
181.05040	0.3
187.07813	0.1
189.05540	0.4
191.05589	36.9
192.05971	0.9
211.13416	0.6
215.05623	3.5
256.37503	0.2
277.21780	1.3
283.13437	0.5
290.07980	0.2
299.16388	0.2
301.14569	0.2
307.08383	0.7
308.09088	1.8
309.15039	0.9
311.13074	0.3
325.14661	0.3
327.16068	1.2
329.14316	0.2
345.17337	0.2
351.07297	6.2
352.07938	1.4
353.08972	0.2
353.14075	1.0
371.15085	0.3
415.24908	0.2
475.34525	0.2
587.90686	0.2
607.24323	0.2
823.45990	0.4
839.46313	0.2
841.47821	1.0
849.44348	0.6
867.45581	12.2
868.45538	1.5
885.46429	2.0
886.47650	0.3
1041.50720	0.9
1059.51965	100.0
1060.52319	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	1059.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03372	1.1
83.04917	1.2
85.02850	17.7
86.03169	0.4
87.00776	5.1
87.04413	0.6
89.02352	0.7
93.03365	13.7
95.01292	0.6
95.04943	0.3
99.00826	0.4
99.04436	1.0
101.02363	1.1
105.03371	0.7
108.02087	0.5
109.02874	1.7
111.00814	0.3
111.04440	4.2
113.02370	0.9
117.03376	0.3
125.02349	0.5
127.03946	4.1
129.01840	0.2
133.02898	5.1
134.03728	1.3
135.04462	3.0
137.02393	1.0
137.53528	0.2
138.98618	0.2
143.03395	0.3
143.04941	0.4
145.05023	0.3
145.06573	0.4
146.03644	0.2
147.04416	0.3
153.01903	0.2
153.07030	0.4
155.03435	1.2
158.03699	1.7
159.04456	2.2
160.01611	0.3
160.05049	0.4
161.02419	0.6
161.04475	0.4
171.02957	1.4
171.04510	0.7
172.05258	5.8
173.02432	0.6
173.04552	5.2
173.06020	1.0
174.03238	3.7
174.04724	0.5
175.03877	0.5
177.01910	2.2
178.02661	1.2
179.03520	1.0
180.05840	0.5
180.57330	0.2
183.04469	0.6
184.05220	0.4
185.06134	0.6
186.03230	0.5
186.06752	0.3
187.04031	1.8
188.04489	0.2
191.05597	100.0
192.05928	2.5
196.05270	0.3
197.06068	0.9
198.06805	1.1
199.04048	1.8
200.04759	0.9
200.08775	0.2
201.05627	0.6
202.06409	1.3
203.03487	0.3
204.04286	0.8
209.11823	0.3
211.03911	0.3
211.07635	0.5
214.02739	0.4
214.06364	0.4
225.05592	0.3
227.03539	3.8
228.04341	2.1
233.06674	1.6
237.16562	0.6
239.14542	0.3
253.09508	0.4
253.12318	0.3
253.16043	0.4
255.13985	0.4
255.23424	0.4
257.15552	0.6
265.12564	0.3
265.15952	0.5
267.13828	0.2
277.21805	8.6
278.22131	0.8
281.15533	3.4
282.15747	0.2
283.13492	17.7
283.16766	0.6
284.13785	1.4
299.16568	1.0
301.14566	3.0
302.14996	0.4
307.13507	0.2
309.15045	17.8
310.15335	1.4
311.13025	3.8
312.13730	0.4
325.14514	2.0
327.12421	1.7
327.16046	8.7
328.16415	0.8
329.14059	1.9
343.15567	0.4
345.17175	0.7
345.96973	0.2
351.07574	0.3
353.14029	11.7
354.14310	0.9
357.17145	0.3
371.15091	2.1
397.13589	1.6
398.13531	0.3
445.18988	0.2
482.20407	0.2
483.31158	0.5
563.24554	0.6
581.26233	0.4
589.22546	0.5
607.24432	1.9
608.24768	0.2
635.26422	0.3
705.40613	0.3
807.43542	0.6
823.46185	3.6
824.46558	0.6
825.44568	6.6
826.45380	0.8
839.46686	1.5
841.47559	4.7
842.47687	0.6
849.44562	3.0
850.44647	0.6
867.45648	60.6
868.45898	10.3
885.46661	10.3
886.47223	2.1
1033.58459	0.3
1041.51025	13.4
1042.51660	2.7
1059.52014	24.0
1060.52344	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	1059.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00765	2.1
76.64625	0.1
83.01274	2.4
84.02050	0.2
85.02843	12.4
85.99963	0.1
86.03166	0.3
87.00774	2.4
89.02338	12.4
93.03345	0.3
95.01288	3.7
96.95940	0.2
96.99246	0.1
97.02848	0.5
98.11329	0.1
99.00780	3.9
101.02348	2.2
101.23125	0.1
103.72465	0.1
111.00789	5.1
111.04412	0.2
112.01566	0.5
113.02359	13.0
114.02711	0.2
115.00237	0.2
119.03435	0.6
119.04942	0.2
122.65557	0.1
124.92663	0.1
125.02381	0.2
129.01836	0.2
131.03430	5.6
132.03767	0.2
133.01404	0.2
133.02800	0.2
134.03639	0.2
135.04414	0.3
137.02359	0.3
138.92068	0.1
139.00314	3.0
149.04500	6.6
155.03438	0.2
157.01357	1.0
167.03587	0.2
173.04524	0.2
179.03319	0.2
189.12862	0.4
191.03275	0.1
191.03864	0.2
191.05606	2.1
191.07306	0.2
195.06491	0.1
205.08710	0.3
230.41359	0.1
233.06694	2.1
263.07718	0.4
313.18204	1.4
314.18622	0.2
323.09851	0.5
330.78061	0.1
331.19150	0.3
391.30484	0.3
409.27252	0.4
409.31958	0.2
425.30643	0.8
426.30872	0.2
437.30627	2.3
438.23239	0.2
438.30795	0.3
439.32260	3.1
440.32526	0.2
449.30737	0.3
455.13889	0.2
455.31772	1.5
456.32095	0.2
467.31784	2.0
468.31888	0.3
469.33459	2.5
470.33652	0.4
485.33023	0.3
487.34412	6.6
488.34775	0.9
488.42700	0.1
515.33875	2.2
516.34332	0.3
540.38458	0.1
543.33221	0.4
569.35052	0.4
583.36407	1.8
584.36743	0.3
601.37427	0.9
619.38342	0.3
663.37744	0.7
809.84808	0.2
927.47150	1.3
928.47382	0.2
1059.50476	100.0
1060.50793	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01265	0.7
84.02059	0.7
85.02846	27.2
85.18562	0.1
86.03191	0.3
87.00768	0.8
89.02344	3.3
89.02908	0.2
93.03365	0.4
95.01291	9.3
96.01628	0.3
96.95917	0.1
97.02840	0.2
98.20499	0.2
99.00784	39.3
100.01125	0.7
101.02351	2.0
105.47346	0.1
113.02361	44.4
114.02709	1.0
125.02445	0.3
131.03424	3.4
133.02916	0.2
135.04454	0.5
139.00287	0.5
143.03435	0.7
149.04498	0.6
151.06090	0.2
161.04514	3.4
162.00876	0.1
173.04506	0.3
179.03380	0.1
189.81122	0.1
191.05589	12.8
192.05916	0.3
263.07831	0.4
281.08832	0.3
297.32205	0.1
331.12445	0.1
331.19315	0.2
351.42807	0.1
371.89096	0.2
439.32245	0.9
487.33420	0.2
702.00586	0.2
927.46027	0.8
928.47009	0.2
1041.45764	0.3
1059.50452	100.0
1060.50818	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00767	2.4
83.01281	2.2
84.02052	0.3
85.02843	24.5
86.03181	0.3
87.00774	1.0
89.02341	4.7
93.03333	0.1
95.01289	3.5
95.01891	0.2
97.02866	0.4
99.00783	5.4
101.02357	1.0
109.02830	0.1
111.00790	4.3
111.04494	0.1
112.01618	0.2
113.02358	19.7
114.02686	0.4
115.00311	0.2
120.31297	0.1
125.02368	0.2
129.01843	0.3
131.03432	6.3
132.03784	0.1
139.00302	3.2
143.03433	0.2
149.04489	0.6
157.01369	1.1
173.04533	0.3
191.05576	0.7
215.05666	0.2
328.71716	0.1
391.30106	0.2
405.31839	0.1
409.27417	0.2
425.30695	0.6
437.30676	1.2
439.32230	3.3
440.32477	0.4
451.32129	0.2
455.31735	1.7
456.32214	0.3
467.31839	1.3
469.33340	1.9
470.33566	0.3
485.32684	0.7
487.34439	7.8
488.34711	0.8
515.33917	1.8
516.34021	0.2
543.33490	0.4
569.35065	0.5
583.36493	5.0
584.36884	0.7
601.37604	2.5
602.38135	0.3
603.35614	0.6
619.38757	0.5
645.36047	0.2
663.37512	0.2
927.46118	6.3
928.46869	1.3
1059.50439	100.0
1060.50769	21.3
1061.51501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
75.73632	0.3
78.95776	0.3
79.90614	0.3
81.03363	0.8
83.38120	0.3
85.02834	0.6
93.03363	2.6
94.45080	0.3
95.01322	0.6
95.04944	0.5
95.29385	0.3
96.95930	1.1
97.02854	0.9
97.06493	0.5
97.42311	0.3
99.04454	0.3
107.04912	0.4
108.02074	0.8
109.02866	1.0
113.02383	0.4
116.92780	0.3
121.02878	6.7
121.03662	0.3
122.03663	10.3
123.00808	0.6
123.04433	1.1
124.01597	0.7
132.02098	0.4
133.02890	1.2
134.03668	1.1
135.04460	3.5
135.08083	0.7
136.01602	10.3
137.02376	2.1
145.06546	0.3
147.04501	0.7
147.08119	0.3
149.02383	15.9
149.06004	1.0
150.03169	43.3
151.00299	3.0
151.03960	11.9
151.05186	0.4
152.01120	0.8
154.02722	0.5
159.04430	0.4
159.08104	0.8
160.05270	0.5
161.02431	0.7
161.06030	1.0
161.09703	1.3
162.03214	0.7
163.03984	1.6
164.04742	2.8
165.05525	36.1
166.02684	6.7
166.05899	1.4
167.03383	1.3
172.05229	0.4
173.09718	1.2
175.03931	2.6
175.07634	0.6
177.01915	0.5
177.05539	0.9
179.03477	0.5
180.04259	2.5
181.05029	8.6
181.06558	0.6
182.05373	0.3
187.11287	0.9
189.05536	2.4
189.12825	23.1
190.06320	3.6
190.13176	0.9
191.03598	0.5
191.05548	0.8
191.07101	5.8
195.06604	19.5
196.07004	0.7
205.08685	15.7
206.09122	0.7
207.10309	0.8
221.08170	1.3
221.47878	0.3
243.13950	0.7
266.05920	0.6
269.19147	2.6
282.05481	1.0
285.18835	0.4
297.07718	1.0
309.07602	0.5
313.18167	100.0
314.18475	6.5
315.08865	1.3
325.07416	0.4
325.11044	0.6
326.11710	0.4
327.12354	0.5
329.10336	1.9
331.19153	3.1
341.10315	0.5
342.10950	1.1
355.11761	0.5
356.12698	1.3
357.09790	2.3
357.13620	3.8
369.14066	0.4
372.12305	2.3
373.12976	0.6
386.13861	0.7
387.14581	19.7
388.14957	1.5
490.16330	1.0
505.19196	1.6
520.17584	0.7
535.19855	26.8
536.20148	2.3
553.20868	1.0
565.20660	2.2
583.21979	47.0
584.22504	4.5
745.27112	0.7
824.39148	0.4
1059.49268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02831	0.6
75.00768	2.1
83.01282	1.6
84.02071	0.4
85.02847	24.2
86.03202	0.3
87.00777	1.4
89.02341	4.7
93.03361	0.5
95.01299	2.8
96.95914	0.7
97.02854	0.6
99.00791	6.0
101.02357	1.3
111.00785	3.6
113.02364	19.3
114.02679	0.4
114.04573	0.2
128.90100	0.6
129.01857	0.4
131.03435	5.7
133.02905	0.5
135.04413	0.8
139.00298	3.6
149.04456	0.5
157.01361	0.8
159.68733	0.2
160.55206	0.2
161.02365	0.7
173.04434	0.6
179.03423	0.7
191.05597	2.4
194.69981	0.3
204.67361	0.2
421.31363	0.3
437.30588	0.4
439.32294	1.1
449.30618	0.5
455.31741	0.3
467.31772	6.5
468.32205	0.8
485.32895	8.7
486.33173	0.8
487.34164	0.7
513.32092	1.5
541.32190	0.4
563.18115	0.7
567.33215	0.7
581.34949	6.7
582.35352	0.9
599.36151	3.4
600.36359	0.4
617.37494	0.6
622.47711	0.3
863.43427	0.4
925.44696	6.6
926.45093	1.3
927.46771	0.5
1057.48938	100.0
1058.49207	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.6713
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02827	0.2
73.90269	0.2
83.04923	5.3
83.25983	0.2
85.02847	19.6
86.03201	0.3
89.02342	0.3
99.04416	0.5
101.02360	0.4
109.06514	0.4
111.08090	0.5
113.02333	0.3
117.72493	0.2
123.08072	2.1
125.09656	0.4
127.11226	0.5
134.27814	0.2
161.04541	0.3
163.11243	0.2
171.10229	41.6
172.10562	1.2
179.05585	0.2
197.21719	0.2
217.15993	0.2
235.08205	0.7
253.09337	2.4
259.20764	0.6
273.22330	0.8
277.21786	23.7
278.22174	1.4
294.47269	0.2
301.21799	15.3
302.22180	1.1
302.47845	0.2
325.25183	0.3
343.26498	1.1
387.25500	100.0
388.25851	8.8
407.19351	2.6
513.30743	0.4
599.28223	0.2
966.89740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02820	0.3
83.01278	0.2
85.02843	0.4
86.88689	0.1
89.03852	0.2
93.03352	0.2
96.95916	0.3
99.00792	0.1
99.33482	0.1
101.02339	0.4
104.02596	0.1
105.03356	0.5
109.02897	0.2
113.02377	0.4
115.01805	0.3
117.03348	0.7
121.02898	0.2
123.04440	0.2
132.02098	2.3
133.02879	33.5
134.03612	1.0
135.04443	9.7
136.04764	0.3
137.02353	0.9
139.03996	0.1
145.02896	0.2
149.32280	0.1
149.73756	0.1
151.03860	0.1
151.11208	0.2
154.18112	0.1
159.04453	0.5
160.01627	0.3
161.02383	100.0
162.02730	3.6
163.03943	0.2
173.04543	0.1
174.33366	0.1
178.02702	0.4
179.03448	6.3
180.03798	0.3
191.05510	0.7
195.06633	0.1
201.01997	0.2
203.03467	0.5
263.90924	0.1
271.02481	0.3
299.01917	0.7
313.03238	0.1
313.18149	0.4
314.18747	0.1
331.19193	0.3
357.13144	0.1
475.19830	4.3
476.20227	0.5
517.20868	84.9
518.21216	9.8
561.19653	0.8
594.57330	0.1
767.53979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
74.57066	0.3
83.01271	0.5
85.02869	0.5
89.40073	0.3
93.03358	15.1
96.99216	2.7
107.01299	0.6
109.02796	0.3
117.03370	1.3
119.04945	12.8
121.02883	0.4
123.04456	1.5
125.18139	0.3
130.04156	1.6
131.04965	3.2
132.05685	0.4
133.02884	3.4
135.00742	0.4
135.04488	0.4
137.02335	0.5
143.04970	14.6
144.05363	0.5
145.02907	2.4
145.06541	0.6
147.04425	0.5
151.00281	1.6
152.00902	0.3
154.04204	0.4
159.04442	0.7
161.02353	0.4
163.00305	0.6
163.03952	7.6
164.04358	0.7
169.01268	0.4
169.06519	0.6
171.04509	2.1
173.04597	0.5
173.06071	0.3
183.04443	0.3
185.06070	0.9
187.03964	1.3
189.05603	0.5
191.05609	1.5
193.05034	0.3
211.03986	0.9
211.07651	4.8
213.05566	0.6
214.02451	0.3
215.03453	0.4
219.08191	0.7
221.09732	1.1
222.06824	0.4
223.07668	1.0
227.03497	9.6
228.03972	0.7
229.05086	3.2
235.07715	2.6
237.09236	4.5
238.09775	0.5
239.03561	0.6
239.10783	0.3
241.05042	1.0
243.03003	0.4
247.07715	0.5
255.03038	24.7
256.03656	2.3
257.04526	2.3
263.07019	0.6
265.08746	15.3
266.09100	0.9
281.08426	0.5
283.02567	19.9
283.09760	0.6
283.99988	0.7
284.03320	32.7
285.04111	68.4
286.04437	3.7
290.88434	0.3
309.07748	4.4
327.08807	64.1
328.09146	4.4
416.07468	2.7
593.15253	100.0
594.15588	9.8
725.19531	19.6
726.19476	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	1051.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02832	0.2
81.03350	0.2
83.04911	0.3
85.02840	4.1
87.00775	0.9
89.03848	0.1
91.05423	0.3
93.02767	0.2
93.03355	2.7
93.03920	0.2
97.02882	0.1
105.03362	0.1
106.04144	0.1
107.04935	0.8
108.02065	0.1
109.02834	0.6
111.00822	0.1
111.04430	1.4
117.03387	0.4
119.04961	0.1
121.02892	0.1
123.04369	0.1
125.02374	0.2
127.03928	1.5
129.01863	0.2
132.02101	0.2
133.02884	5.4
134.03694	3.2
135.04445	46.7
136.04778	1.5
137.02338	0.4
155.03435	1.3
157.50542	0.1
161.02385	11.7
162.02737	0.5
171.02946	0.3
173.04500	3.4
174.04764	0.1
177.01794	0.2
179.03453	40.2
180.03793	1.7
191.05577	81.9
192.05916	2.3
193.06006	0.1
265.08517	0.1
335.07840	0.7
351.07233	0.3
352.07767	0.2
353.08832	100.0
354.09186	5.7
355.09262	0.3
365.08847	0.6
449.11057	0.2
491.12051	6.3
492.12302	0.8
515.12067	11.2
516.12445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
72.92017	0.3
72.99200	2.4
73.02842	2.1
75.00764	3.0
79.12056	0.3
83.01277	3.0
85.02843	9.8
85.99977	0.9
87.00771	7.6
89.02342	5.7
93.03371	1.6
95.01292	3.8
96.95898	0.4
97.02839	0.6
99.00778	4.0
101.02349	3.3
103.00321	0.3
103.11677	0.3
105.03368	0.3
105.50037	0.3
109.02838	0.3
111.00793	5.8
111.04414	0.4
112.01563	0.6
113.02364	8.4
113.84525	0.3
117.18671	0.3
119.04948	0.5
127.03902	0.3
129.01843	0.8
131.03429	12.9
132.03738	0.5
133.02853	2.0
133.57893	0.3
134.03690	0.5
135.04442	1.6
137.02396	0.4
139.00308	4.1
149.04510	2.5
155.57057	0.3
157.01346	1.0
161.02370	0.6
163.03992	0.4
165.05476	0.3
171.28917	0.3
173.04536	0.5
177.01884	0.5
178.02603	0.5
179.03452	0.4
191.05589	9.5
192.05948	0.4
195.06604	0.3
233.06644	0.6
304.09015	0.2
311.52637	0.2
363.60471	0.3
423.32391	1.2
437.30475	0.3
439.32333	1.9
452.08575	0.3
453.33850	1.7
469.33292	1.1
471.35010	7.1
472.35449	0.8
499.34497	2.6
527.33862	1.2
553.35370	0.9
554.09607	0.3
567.37091	4.7
568.37427	0.7
585.38055	3.1
587.35852	0.7
603.39771	0.5
699.41223	0.4
779.42957	0.4
911.46814	5.9
912.47052	0.7
1007.41302	0.6
1026.43762	1.4
1043.50977	100.0
1044.51208	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	1047.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02811	0.2
81.03342	0.6
83.04923	0.5
85.02843	5.5
87.00767	1.8
89.03859	0.3
91.05421	0.2
93.03358	7.1
94.03677	0.2
95.01305	0.2
95.04902	0.4
98.27889	0.2
99.04459	0.3
105.03335	0.9
107.04311	0.2
107.04913	1.0
108.02094	0.5
109.02889	1.1
111.04424	2.0
111.43634	0.2
117.03369	0.4
121.02874	1.9
122.03726	1.0
123.04438	17.0
124.04768	0.4
127.03927	1.7
129.01877	0.3
133.02879	5.7
134.03690	3.0
135.04445	42.4
136.04784	2.2
137.02376	1.5
139.03937	0.7
147.00851	0.2
149.02371	3.0
150.02779	0.7
151.03951	2.9
152.01115	0.3
154.02689	0.3
155.03459	2.2
157.69269	0.2
159.04486	0.2
161.02386	5.6
162.02837	0.2
171.02953	0.4
173.04507	10.5
174.04869	0.4
176.01025	0.2
177.01892	12.4
178.02237	0.4
179.03456	36.4
180.03783	2.2
191.05577	100.0
192.05907	3.8
193.01375	0.9
194.02011	0.5
195.02946	5.2
196.03191	0.3
215.05540	0.2
217.03529	0.3
219.03049	0.2
295.06021	0.3
325.09091	0.3
335.07806	2.2
336.08218	0.4
339.05292	0.2
351.07275	4.6
352.07602	0.5
353.08835	82.1
354.04834	0.4
354.09213	7.7
355.09293	0.9
357.06396	0.3
367.06570	1.2
368.07239	1.2
369.08310	20.1
370.08643	1.3
430.06326	0.2
432.50058	0.2
513.10394	0.9
515.12085	6.6
516.12524	1.0
529.09857	0.4
530.10651	1.1
531.11414	13.0
532.12079	1.4
679.61731	0.2
885.21490	0.3
917.07288	0.2
947.33655	0.2
1040.67798	0.2
1053.37524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99203	1.6
73.02834	0.7
73.47855	0.2
75.00767	2.9
81.42026	0.2
83.01283	2.7
83.04884	0.3
84.02079	0.3
85.02847	21.8
86.03177	0.4
87.00757	1.2
89.01829	0.3
89.02341	4.4
93.03361	0.6
95.01293	3.4
97.02837	0.7
98.19745	0.4
99.00786	6.4
101.02333	0.9
103.00278	0.2
111.00789	5.5
111.08045	0.5
112.01611	0.3
113.02362	18.9
116.13445	0.2
119.04970	1.0
120.00322	0.2
123.04450	0.2
125.72529	0.2
129.01852	0.4
131.03438	5.2
133.02853	0.3
134.03616	0.4
135.04424	0.7
137.02388	0.4
139.00305	2.7
143.03413	0.4
149.04446	0.6
150.03223	0.3
157.01335	1.4
160.01582	0.5
161.02367	0.5
163.03929	0.7
173.04541	0.4
173.08163	0.6
175.03944	0.6
177.01878	0.3
179.03346	0.3
191.05597	1.3
214.80974	0.2
230.96703	0.2
263.07849	0.3
271.09634	0.3
331.19440	0.3
347.71289	0.2
423.32706	1.0
437.30521	0.5
439.32166	1.4
440.32751	0.3
453.34030	1.2
454.34286	0.2
457.13409	0.3
469.33395	1.7
471.35263	4.9
472.35223	0.6
499.34387	2.8
500.34653	0.3
515.33795	0.3
527.33783	1.2
551.19324	0.6
553.35370	0.8
567.37000	3.5
568.37402	0.6
585.38025	1.7
586.39124	0.2
587.36133	1.1
603.39264	0.7
647.37994	1.0
717.42053	0.3
837.33624	1.6
847.83942	0.2
911.46637	5.9
912.46277	1.3
916.74945	0.3
1025.47656	0.3
1043.50977	100.0
1044.51257	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	1043.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99196	2.1
73.02851	1.1
75.00759	1.6
82.98916	0.2
83.01289	3.3
84.02862	0.2
85.02844	9.7
85.99986	0.3
87.00773	2.6
89.02341	11.6
90.02654	0.3
93.03356	0.4
95.01298	3.4
96.95956	0.3
97.02840	0.7
98.20522	0.4
99.00795	2.6
101.02359	2.5
109.41740	0.2
109.84159	0.3
111.00794	4.6
112.01587	0.4
113.02361	10.6
119.03380	0.4
131.03442	7.2
133.02879	0.2
139.00322	2.0
139.03868	0.3
149.04501	6.0
157.01361	0.8
189.56096	0.2
191.05620	3.2
221.15430	0.2
233.06693	1.7
236.10425	0.4
263.07791	0.2
293.17731	0.3
323.09915	0.7
384.10397	0.2
399.09497	0.2
439.32260	0.5
451.32382	0.5
453.33997	3.0
454.34326	0.4
467.31619	0.3
469.33163	1.1
471.34912	6.7
472.35098	0.9
499.34567	2.5
515.34076	0.8
527.34155	0.5
553.35468	0.5
567.36963	2.4
568.37122	0.5
585.38177	1.0
586.39459	0.2
625.15961	0.2
647.37842	0.7
883.45447	0.3
911.45795	0.4
1043.50989	100.0
1044.51282	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	1043.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99202	1.6
73.02849	0.8
75.00768	2.4
83.01282	2.1
84.02065	0.3
85.02844	23.7
86.03181	0.5
87.00779	0.8
89.02338	4.5
93.03326	0.2
95.01284	3.0
95.01839	0.3
96.99252	0.2
97.02843	0.4
99.00784	5.5
99.01437	0.3
101.02322	0.6
111.00795	4.2
112.01612	0.3
113.02359	19.0
114.02682	0.3
115.00254	0.3
119.54216	0.1
125.02350	0.2
129.01852	0.4
131.03429	6.2
135.04434	0.2
137.49353	0.2
139.00302	2.7
143.03384	0.2
149.04501	0.5
151.07605	0.4
157.01363	0.9
160.01559	0.2
164.78551	0.1
173.04462	0.3
179.03339	0.2
191.05640	0.8
191.07085	0.2
195.06612	1.8
196.06895	0.3
224.27795	0.1
251.97836	0.2
313.18103	0.2
329.17728	0.4
407.33289	0.2
423.28644	0.3
439.32178	0.5
451.32388	0.6
453.34039	2.7
454.34161	0.4
467.32022	0.2
469.33340	1.1
470.33517	0.3
471.34930	10.0
472.35300	1.3
499.34448	1.7
500.35028	0.2
505.14099	0.2
513.35736	0.3
515.33942	0.7
516.34265	0.2
527.33868	0.6
539.37152	0.5
553.35529	0.6
567.37018	4.4
568.37396	0.5
585.38177	2.2
586.38397	0.6
587.35718	1.0
603.38660	0.8
611.35669	0.2
627.63348	0.2
629.36841	0.3
647.37988	0.5
671.69257	0.2
687.30481	0.3
699.41870	0.3
819.37164	0.2
849.46399	0.4
893.45007	0.3
911.46692	16.8
912.47144	3.1
1043.50928	100.0
1044.51221	23.4
1045.51355	0.3
1063.98352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99201	1.6
73.02840	0.8
75.00758	2.1
76.55371	0.2
83.01287	2.7
85.02847	18.9
87.00770	1.1
87.57345	0.2
89.02343	4.1
93.03352	0.9
95.01286	2.6
96.19567	0.2
96.95918	0.6
97.02876	0.6
99.00785	3.9
101.02351	1.3
111.00800	4.5
112.01617	0.3
113.02366	15.6
115.00281	0.3
129.01874	0.4
131.03441	5.7
133.02881	0.8
134.03661	0.5
135.04463	1.7
136.04805	0.4
139.00299	2.6
149.04489	0.8
151.38434	0.2
157.01363	1.0
161.02344	0.4
173.04536	0.6
179.03467	0.6
181.05081	0.5
191.05606	3.0
191.15466	0.2
192.05913	0.5
195.06630	1.0
205.08626	0.3
270.30399	0.2
292.82288	0.3
313.18369	0.4
329.17651	0.3
341.23340	0.5
392.47757	0.2
423.28995	0.3
439.32443	0.4
453.34073	2.1
454.34286	0.4
469.33429	0.8
471.34940	7.8
471.41376	0.5
472.35144	0.8
499.34421	2.2
511.33527	0.3
513.35706	0.5
515.33948	0.7
527.33862	0.4
553.35266	0.7
567.37012	4.3
568.37604	0.6
585.38367	3.0
587.36365	0.5
603.39758	0.3
719.56378	0.3
749.72156	0.3
819.37915	0.3
911.46881	9.2
912.46759	1.5
1011.45081	0.3
1043.50989	100.0
1044.51318	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
72.88190	0.3
72.99193	2.1
73.02837	1.8
75.00770	3.0
83.01280	3.0
85.02841	8.5
85.99986	1.2
87.00770	8.5
89.02336	7.5
89.11312	0.3
93.03341	1.4
95.01273	3.1
96.93607	0.4
96.95904	0.8
96.99232	0.3
97.06451	0.4
99.00790	3.0
101.02335	4.1
103.03886	0.4
103.24715	0.3
107.17725	0.3
109.02979	0.3
110.88322	0.3
111.00805	4.5
112.01620	0.5
113.02361	8.3
119.04945	0.6
125.02361	0.4
127.03955	0.4
129.01866	0.6
131.03426	16.8
133.02873	0.4
134.03682	0.3
135.04434	2.1
139.00307	2.5
147.04401	0.3
149.04497	3.3
150.03152	0.4
151.03748	0.3
157.01347	0.7
161.02383	0.6
162.03099	0.3
163.03903	0.3
168.86377	0.3
173.04468	0.5
179.03534	0.5
191.05580	13.9
192.05869	0.7
195.06635	0.9
208.76340	0.3
233.06676	1.0
310.35538	0.4
313.18124	0.4
331.19168	0.7
342.23566	0.4
439.32379	0.6
451.32578	0.4
453.34021	2.6
469.33362	0.9
471.34897	9.9
472.35144	1.3
499.34384	1.5
500.34933	0.4
513.36066	0.5
515.33752	0.7
518.07001	0.4
527.33618	0.4
543.93597	0.3
551.19617	0.8
553.35455	1.3
567.36981	5.5
568.37341	0.6
576.65521	0.4
585.38239	3.4
587.36096	0.6
603.38696	0.4
629.36768	0.5
735.44629	0.3
819.37354	0.6
851.39233	0.7
871.88910	1.4
872.39319	1.5
911.46661	16.4
912.46716	2.8
952.22583	0.4
1043.50903	100.0
1044.51257	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	1043.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99203	2.0
73.02837	1.2
75.00765	1.6
78.95791	0.2
82.99081	0.1
83.01275	2.3
83.18850	0.1
84.02074	0.2
85.02840	11.5
86.00005	0.2
86.03161	0.2
87.00770	2.0
89.02333	11.3
93.03337	0.4
95.01281	3.4
96.95910	0.2
97.02827	0.5
98.41830	0.1
99.00774	3.7
101.01706	0.2
101.02341	2.1
109.02883	0.2
111.00788	4.9
112.01568	0.4
113.02356	11.2
114.02676	0.2
115.00256	0.2
119.03396	0.3
125.02295	0.1
129.01872	0.3
131.03423	5.5
131.04404	0.3
133.02870	0.2
135.04449	0.4
136.85274	0.1
137.02293	0.1
139.00298	2.2
143.03389	0.2
149.04491	5.9
155.03409	0.2
157.01372	0.7
161.02348	0.2
173.04544	0.2
179.03450	0.3
191.05574	2.2
191.57979	0.1
200.77902	0.1
211.30078	0.1
233.06697	1.9
258.17828	0.1
263.07736	0.4
271.02444	0.3
299.02069	0.3
323.09811	0.6
393.32037	0.1
423.29031	0.3
439.32047	0.9
451.32544	0.6
453.33951	3.0
454.34113	0.4
467.31610	0.3
469.33365	1.5
470.33618	0.2
471.34891	7.6
472.35101	0.9
499.34512	2.2
500.34711	0.2
513.35620	0.2
515.33875	1.2
527.33936	0.7
529.05640	0.1
539.37640	0.2
553.35474	0.4
567.36969	2.0
568.37128	0.2
585.37842	1.1
587.36206	0.2
603.39301	0.4
647.37927	0.7
717.42657	0.2
911.46307	0.8
1025.48486	0.2
1043.50879	100.0
1044.51208	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	1043.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
74.57001	0.2
80.21529	0.2
83.01275	0.5
84.18917	0.2
93.03357	0.2
107.01277	1.1
108.02113	0.5
109.02857	0.7
121.02895	1.2
132.85693	0.2
135.00797	0.3
135.04427	0.5
147.00798	0.2
148.01627	0.5
150.99127	0.4
151.00311	5.3
152.00858	0.3
161.02463	0.3
163.00319	1.2
169.01389	0.5
173.04445	0.2
178.99832	3.5
179.03450	0.4
183.04405	0.3
191.05597	0.7
199.03931	0.3
211.03999	0.3
213.01877	0.2
215.03496	0.2
216.04308	0.3
226.02744	0.7
227.03516	1.0
229.01463	0.3
229.05139	0.3
243.03043	4.2
244.03542	0.5
245.04631	0.7
254.02242	1.1
255.03038	13.1
256.03470	1.0
271.02545	27.9
272.02991	2.6
273.04099	0.5
283.02393	0.5
287.02100	0.2
299.01962	0.6
300.02832	60.4
301.03546	24.8
302.03922	1.6
316.02228	0.3
339.04993	0.2
343.04596	0.3
353.08890	0.4
513.10480	0.5
609.14771	100.0
610.15100	14.2
610.25531	0.3
611.15344	0.7
625.14563	0.5
694.26001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02843	0.2
73.05973	0.1
76.79997	0.1
83.01271	0.3
85.02856	0.2
87.00761	0.1
89.02335	0.3
90.97704	0.1
93.03394	0.1
95.01304	0.1
101.02345	0.4
101.03867	0.1
107.01309	0.5
108.02113	0.2
109.02908	0.1
110.00033	0.1
110.72494	0.1
113.02362	0.4
119.01370	0.1
119.03417	0.2
119.04913	0.1
123.04430	0.1
125.02376	0.2
133.02881	0.5
134.03653	0.1
135.00807	0.2
135.04436	0.8
143.03412	0.1
143.04962	0.1
145.02882	0.3
147.00816	0.1
147.04454	0.1
148.01656	0.2
149.02356	0.1
149.04536	0.1
149.99554	0.1
151.00311	2.1
151.01527	0.1
152.00894	0.1
153.01849	0.2
155.04941	0.2
157.02905	0.2
159.04462	0.2
161.02405	0.5
161.04498	0.2
163.00337	0.6
164.01036	0.2
165.01820	0.1
167.04967	0.1
169.01376	0.3
169.02814	0.1
171.04431	0.1
173.04547	0.1
174.03217	0.1
175.03976	0.1
177.01891	0.2
178.99828	0.3
179.03471	0.6
183.04474	0.4
185.02437	0.2
187.03998	0.3
189.01926	0.3
190.99924	0.1
191.05579	0.9
192.00679	0.1
198.03015	0.1
199.02148	0.1
199.03973	1.8
200.04582	0.2
201.01939	0.3
202.02650	0.1
203.03481	0.3
204.04288	0.2
205.05028	0.1
209.01009	0.1
211.03893	0.3
212.04710	0.1
213.01860	0.1
215.03511	1.0
216.04182	0.3
217.05034	0.1
219.06639	0.1
221.06638	0.1
225.02084	0.1
226.02638	0.4
227.03491	2.8
228.04057	0.3
229.01486	0.2
231.02998	0.1
239.03595	0.1
242.02232	1.6
243.03012	13.6
244.03569	1.5
245.04248	0.1
254.02252	0.7
255.03026	9.4
256.03497	0.8
257.04602	1.9
258.05182	0.1
259.06238	0.4
269.04388	0.1
270.01743	2.1
271.02527	24.4
272.03098	3.3
273.03702	0.2
283.02426	0.1
284.03436	0.2
285.04105	3.7
286.04788	1.1
287.05692	1.0
299.02036	22.5
300.02777	21.4
301.03192	1.4
302.04071	0.1
313.03690	0.4
313.07114	0.1
313.16241	0.1
314.04395	25.6
315.05148	53.2
316.05502	3.7
327.05255	0.1
329.06754	0.1
331.17670	0.2
342.03534	0.1
351.07416	0.1
353.08862	0.7
354.09048	0.1
357.06274	0.6
373.18756	1.3
463.08807	0.1
491.12173	0.2
525.16559	0.1
623.16266	100.0
624.16608	12.9
625.16870	0.1
873.60803	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	1035.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02854	0.3
79.91827	0.1
81.03358	0.5
83.04916	0.3
85.02841	4.5
87.00771	1.1
89.03865	0.2
89.08000	0.1
91.05434	0.3
93.03355	3.1
94.03716	0.1
99.00810	0.1
99.04412	0.2
99.21947	0.1
101.02348	0.1
105.03383	0.1
107.04944	0.8
108.46502	0.1
109.02870	0.9
111.04417	2.1
113.02351	0.2
117.03338	0.3
121.02878	0.2
125.02360	0.3
127.03927	1.8
128.65730	0.1
129.01869	0.3
133.02882	2.7
134.03693	3.6
135.04446	48.6
136.04778	1.5
137.02353	0.6
149.02362	0.2
151.03993	0.2
151.07608	1.2
155.03430	1.6
161.02394	6.0
162.02744	0.3
171.02940	0.4
173.04507	5.2
173.06029	0.2
174.04846	0.3
177.01855	0.4
178.02481	0.2
179.03455	51.3
180.03781	1.8
191.05577	100.0
192.05925	2.9
195.06593	4.3
196.06914	0.3
198.25093	0.1
219.06564	0.7
229.01483	0.5
264.99945	0.1
267.06781	0.2
269.08432	0.2
295.06021	0.1
335.07849	0.7
336.07550	0.1
339.05072	0.4
340.05408	0.1
351.07269	0.4
352.07635	0.6
353.08832	86.8
354.09204	5.4
357.11954	2.5
358.12360	0.5
365.82587	0.1
433.09625	0.3
434.10391	0.4
471.22290	0.2
514.10876	0.2
515.11975	9.8
516.12585	1.0
867.19806	0.2
870.21161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02827	0.1
80.68595	0.1
81.03353	0.1
81.57800	0.1
83.04903	0.3
85.02837	3.4
87.00767	0.8
91.05429	0.1
93.03355	2.1
93.03922	0.2
99.04424	0.2
106.04130	0.1
107.04939	0.6
108.02151	0.1
109.02872	0.4
111.04425	1.3
112.61705	0.1
117.03379	0.2
120.07038	0.1
127.03928	1.1
129.01872	0.1
132.02089	0.1
133.02879	1.2
134.03668	2.4
135.04443	40.0
136.04770	1.2
137.02367	0.3
151.03935	0.1
155.03423	1.5
156.03735	0.1
161.02377	5.0
162.02689	0.2
171.02957	0.2
173.04501	4.3
174.04938	0.1
179.03452	56.7
180.03778	2.1
191.05574	100.0
191.79747	0.1
192.05913	3.0
193.06018	0.1
205.12515	0.1
335.07990	0.5
351.07089	0.1
352.07751	0.1
353.08823	92.1
354.09167	5.4
355.09415	0.1
461.21967	0.1
466.32977	0.1
515.12042	10.5
516.12305	1.0
625.02985	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	1029.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02834	0.3
77.03850	1.3
78.15853	0.2
78.95809	0.2
80.02567	0.7
81.03349	0.8
83.01279	0.7
83.04925	1.0
84.76964	0.2
85.02842	0.5
87.00776	0.7
89.02340	0.6
93.02760	0.4
93.03359	9.0
95.01290	0.5
95.04929	10.0
96.05272	0.2
96.99218	1.2
97.02856	1.6
97.99393	0.3
98.00002	4.4
99.00784	0.7
101.02332	0.4
108.02034	0.3
109.02834	0.8
111.00785	0.8
111.04431	3.0
112.04797	0.2
113.02364	0.4
115.00288	1.0
115.05446	1.0
117.03389	2.8
117.07011	0.5
119.04948	24.1
120.05275	0.7
121.02894	2.8
121.03701	0.3
123.04448	0.7
125.02364	0.3
130.04170	0.5
131.04971	1.1
133.02893	0.9
134.03673	0.4
135.04407	0.4
137.02382	0.4
139.03947	7.4
140.04323	0.2
143.04967	3.5
145.02895	3.6
145.06497	0.6
147.04465	13.8
148.04826	0.5
149.02264	0.2
149.04523	0.3
152.01062	0.2
158.03624	0.3
161.02400	0.7
163.03960	18.7
164.04295	0.7
171.04411	0.3
173.04539	0.4
179.03546	0.2
181.04979	0.3
183.02972	1.6
191.05609	1.7
193.06471	0.5
195.08133	100.0
196.06714	0.4
196.08479	6.1
201.04024	0.4
207.08154	0.4
219.08116	1.2
221.09724	2.4
223.11284	3.3
224.11673	0.2
229.20732	0.2
243.05150	2.3
243.07564	0.3
249.09236	4.9
250.09566	0.3
251.51111	0.2
257.72983	0.2
265.08749	0.2
267.10330	5.4
268.10635	0.4
275.03265	0.2
281.03091	11.9
282.03473	0.6
293.08319	1.6
294.08685	0.2
306.34555	0.2
311.09320	8.1
312.09625	0.6
329.17651	0.2
341.05228	4.3
353.10364	0.4
447.22433	0.8
464.22766	0.2
466.31705	0.2
477.12012	44.4
478.12305	5.1
492.12015	0.2
495.13269	0.5
537.14136	92.0
538.14471	12.7
538.22943	0.3
1015.87323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
77.09759	0.1
81.03374	0.2
83.04915	0.5
85.02844	2.1
85.25148	0.2
87.00767	0.9
93.03360	4.2
99.00725	0.2
107.04910	0.4
108.02156	0.2
109.02866	1.3
111.04434	1.2
112.03773	0.2
117.03360	0.3
119.04942	0.5
121.02866	1.2
127.03919	0.6
132.02081	0.3
133.02887	2.6
134.03693	1.7
135.04454	12.2
136.04799	0.5
137.02399	0.5
145.02927	0.4
147.04492	0.2
149.02325	0.2
151.04030	0.2
153.01921	0.2
155.03453	1.1
157.02876	0.2
159.04453	1.2
160.01595	0.7
161.02393	5.3
162.02776	0.3
163.03951	0.4
167.08586	0.4
171.02933	0.3
173.02406	0.4
173.04517	4.5
174.03168	0.4
174.04703	0.2
175.03963	0.2
177.01874	1.1
179.03459	8.1
180.03833	0.5
183.08067	0.2
185.02455	0.3
185.06064	0.2
186.03227	0.2
187.03970	0.3
191.05585	22.3
192.05898	0.8
193.05077	0.4
193.06610	0.5
195.04399	0.2
195.08115	2.7
196.05296	0.5
197.06033	0.4
201.01904	0.2
203.03552	0.2
205.06560	0.3
206.07370	0.4
207.08223	0.8
209.06116	0.5
210.06842	0.2
211.03989	0.3
211.07626	1.7
220.05290	0.3
221.06107	2.4
222.06874	1.8
223.04346	0.2
223.07649	5.6
224.04771	1.1
224.08037	0.3
225.05475	0.6
229.01482	0.4
232.05412	0.2
233.06078	0.4
234.06816	0.5
236.04860	0.2
237.05576	1.5
238.06404	1.2
239.07153	4.8
240.07428	0.4
248.04877	0.4
249.05559	2.8
250.06354	1.9
251.07178	6.7
251.30016	0.2
252.04382	0.5
252.07552	0.5
253.05020	0.4
265.05075	1.7
266.05814	1.8
267.06674	12.8
268.07050	1.1
269.08151	0.6
271.02600	0.3
275.03464	0.2
277.05099	2.8
278.05704	0.5
279.03180	0.2
280.03809	0.6
283.06125	0.4
292.03723	0.2
293.04657	1.5
294.05139	0.9
295.06183	14.2
296.06384	0.9
299.02014	0.6
311.05637	4.6
312.06070	0.6
313.07269	0.3
321.04092	3.0
322.04782	0.3
333.06180	0.2
335.07773	0.2
337.03778	0.3
337.09427	0.7
339.05164	100.0
340.05490	8.5
341.05319	0.2
347.02155	0.3
351.07285	0.2
353.08875	5.8
354.09277	0.5
367.10349	1.2
452.63947	0.2
457.09302	0.4
483.07184	0.2
487.12515	0.5
495.09473	7.9
496.10019	1.1
499.12491	1.3
513.10486	80.8
514.10840	8.9
529.13306	0.5
587.05182	0.2
674.13452	0.2
675.13672	28.7
676.13989	4.4
693.14862	0.3
705.16998	0.5
849.19238	0.6
855.46844	0.2
867.19684	1.6
868.20892	0.3
1029.25073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	10.7
71.59992	0.3
72.99192	3.0
73.02837	1.8
75.00773	2.3
77.01792	0.2
83.01270	3.9
85.02844	9.5
85.99989	1.6
87.00233	0.4
87.00770	7.9
89.02335	6.8
93.03346	0.5
94.93492	0.2
95.01295	3.6
96.95901	0.8
97.02847	1.1
99.00777	3.4
101.02341	4.2
111.00786	6.2
113.02356	7.7
129.01862	0.8
131.03429	14.2
133.02898	0.6
134.03638	0.3
135.04445	0.8
139.00293	3.0
149.04486	2.9
157.01392	0.9
161.02328	0.4
173.04482	0.5
179.03500	0.5
191.05586	8.8
192.05957	0.4
195.06610	0.5
195.28271	0.3
219.58719	0.3
223.66846	0.3
233.06660	1.0
234.02721	0.3
244.25177	0.2
301.43381	0.3
314.18292	0.3
323.09900	0.3
372.68060	0.3
437.34058	1.4
438.34729	0.3
453.33731	2.1
455.35422	6.4
456.35687	0.8
483.34973	3.4
484.35574	0.5
495.06061	0.3
497.36432	0.7
511.34125	1.2
512.35004	0.3
537.35895	1.7
551.37653	5.1
552.37787	0.6
569.38519	3.7
570.38971	0.8
571.36395	1.6
595.36987	0.3
613.37494	0.5
631.38977	0.4
683.41779	1.0
701.43140	0.8
745.41943	0.5
763.43011	0.5
765.48474	0.3
786.57324	0.3
895.47217	20.8
896.47449	3.6
1009.43610	0.3
1027.51465	100.0
1028.51733	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	1027.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	14.6
71.58254	0.4
72.99206	2.9
73.02845	1.3
73.93003	0.3
74.32480	0.3
75.00771	3.1
83.01280	5.1
85.02849	12.1
87.00770	1.7
89.02340	11.3
93.03381	0.3
95.01291	4.8
96.95895	1.7
97.02861	2.3
98.16969	0.3
99.00788	4.1
101.02350	2.4
111.00799	7.4
111.01566	0.4
112.01558	0.6
113.02363	12.2
119.03429	0.6
124.64401	0.3
129.01881	0.4
131.03436	5.9
139.00343	1.5
144.74710	0.3
149.04498	5.3
157.01401	0.9
173.04518	0.4
191.05586	2.2
233.06787	1.6
253.05490	0.3
263.07828	0.4
269.19250	0.3
313.18094	1.2
323.09918	1.2
331.19250	3.0
332.19647	0.5
407.33179	0.5
437.34433	1.7
453.33865	2.1
455.35440	6.1
456.35635	1.1
483.35001	4.5
484.35483	0.6
497.36130	0.5
511.34512	1.2
525.92975	0.3
535.38318	0.3
537.35736	0.7
551.37195	2.2
552.37305	0.4
569.38446	1.5
571.36572	0.3
587.39502	0.3
631.38324	1.6
683.41974	0.4
701.42761	0.6
895.47687	0.8
1009.51154	0.4
1027.51477	100.0
1028.51697	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	1027.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01274	12.4
71.62393	0.3
71.62773	0.3
72.99203	3.1
73.02842	2.2
75.00767	3.5
78.95815	0.2
83.01279	4.8
85.02847	10.3
85.99990	1.5
87.00774	9.2
88.01139	0.3
89.02339	6.8
93.03363	0.6
95.01291	4.1
95.03856	0.2
96.95913	0.7
97.02855	1.2
99.00787	4.0
101.02345	3.7
103.03936	0.3
109.02926	0.3
111.00793	7.1
112.01591	0.4
113.02364	8.6
129.01869	0.8
131.03438	15.8
132.03734	0.3
133.02881	0.4
134.03665	0.3
135.04420	0.7
136.04732	0.3
137.02364	0.3
139.00291	3.2
149.04520	2.7
151.07616	0.4
157.01363	0.7
161.02408	0.6
163.97913	0.3
173.04486	0.3
179.03317	0.4
189.29565	0.3
191.05588	10.3
192.05908	0.4
195.06604	1.0
200.85783	0.2
233.06656	0.8
323.09848	0.3
327.55484	0.3
407.33209	0.5
437.34335	2.2
438.34070	0.3
453.33871	2.1
454.34213	0.5
455.35419	6.8
456.35699	0.9
483.34897	3.6
484.35397	0.4
497.36569	0.8
511.34543	1.8
524.36566	0.3
537.35999	2.0
538.36530	0.3
551.37579	5.2
552.37872	0.8
569.38550	4.1
570.38721	1.2
571.36536	1.8
572.36829	0.4
595.36432	0.5
613.37793	0.5
631.39252	0.4
683.41925	0.7
701.42908	0.7
714.78925	0.3
745.42438	0.5
763.43140	0.4
895.47186	22.0
896.47467	5.4
1027.51501	100.0
1028.51770	28.1
1029.51111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01274	37.7
72.01604	0.5
72.99179	1.5
73.02838	27.1
75.00748	0.5
75.29501	0.3
78.95791	0.5
79.39265	0.3
81.03341	0.8
81.61841	0.4
83.01279	12.9
83.04916	0.6
85.02366	0.4
85.02847	8.3
87.00775	1.9
89.02345	12.1
93.03354	1.9
95.01279	2.5
96.95921	2.0
97.02832	1.6
99.00788	2.2
99.04438	0.4
101.02348	36.0
102.02679	0.5
109.02850	1.3
111.00764	0.5
111.04446	0.7
113.02361	17.4
114.02641	0.5
115.48270	0.4
119.03415	5.0
119.04913	0.5
120.44800	0.4
123.08089	0.8
125.02362	2.5
131.03439	3.6
132.02151	0.4
133.02867	4.5
134.03618	0.6
135.04472	5.9
137.02339	1.4
143.03471	3.9
149.04494	5.9
151.00311	0.4
152.00983	0.4
155.03413	1.3
161.01085	0.6
161.02419	11.8
161.04483	11.1
162.02733	0.6
162.04781	0.5
163.11195	1.7
171.01315	0.3
173.04466	1.5
179.03450	4.3
179.05449	0.8
191.03925	0.6
191.05612	6.8
191.07152	0.9
192.05922	0.6
193.05042	0.5
195.06494	0.5
199.03929	0.6
201.01891	0.5
203.05635	0.9
203.14467	1.8
205.08669	1.2
221.04694	0.5
221.06593	2.0
221.15511	0.6
229.01414	0.5
231.07016	0.4
238.57793	0.4
240.84538	0.4
264.04324	0.5
265.05145	1.1
267.06757	0.6
269.19141	1.4
271.02557	2.6
272.02756	0.6
272.21069	0.4
287.20233	0.9
293.04623	0.9
299.02078	6.0
300.02451	1.3
303.19620	1.2
310.77084	0.4
313.18100	3.5
331.19232	52.1
332.19550	4.8
337.03641	3.8
338.04059	0.4
339.05133	1.1
353.08951	3.0
447.22449	10.5
448.22913	1.3
475.23489	24.2
476.23859	2.9
493.24554	12.7
494.24921	1.0
495.18408	0.4
510.26312	0.4
511.08914	0.7
513.10919	0.4
535.25665	100.0
536.25995	12.1
627.26666	4.6
628.27899	0.5
673.13000	0.7
865.18567	1.0
1027.43542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01288	1.4
73.02841	0.7
74.97330	0.2
75.21812	0.2
81.03355	0.3
83.01288	0.2
83.04903	0.3
85.02843	5.7
85.71695	0.2
87.00755	1.2
87.75667	0.2
89.02333	0.4
90.56467	0.2
91.05422	0.4
93.03362	3.4
99.00784	0.2
99.04420	1.9
101.02351	0.6
107.04922	1.0
108.02052	0.3
109.02866	0.6
111.04440	2.4
113.02357	0.7
117.03353	0.4
119.04926	0.3
127.03972	1.6
129.01848	0.4
133.02882	2.1
134.03683	3.3
135.04451	46.5
136.04762	1.9
137.02367	0.7
143.03436	0.2
155.03452	1.8
159.04395	0.2
161.02403	6.3
162.02728	0.3
163.03986	0.4
171.02971	0.5
171.81772	0.2
173.04520	4.9
177.01880	0.4
179.03461	46.8
180.03798	2.5
183.41978	0.2
189.12888	0.3
191.05586	95.0
192.05925	3.4
193.04996	0.2
195.06592	0.3
205.08777	0.3
224.60023	0.2
229.48975	0.3
235.84154	0.2
255.02789	0.2
265.05038	0.3
271.02499	1.0
283.57794	0.2
294.05130	0.2
299.02029	1.9
300.02548	0.4
331.19098	1.0
332.19559	0.8
333.19812	0.3
335.01941	0.2
335.07767	0.8
336.83490	0.2
337.03574	0.5
339.05142	0.6
339.69855	0.2
349.20248	0.8
351.20938	0.3
352.07974	0.3
353.08853	100.0
354.09219	8.1
411.23874	0.4
429.25226	0.2
513.10370	0.5
515.12091	11.7
515.21021	1.2
516.12183	1.5
1027.39551	0.2
1044.28760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	2.9
71.04911	0.2
71.38466	0.3
72.99186	0.2
73.02828	0.6
75.00761	1.6
81.03326	0.2
82.39399	0.1
83.01266	0.3
85.00544	0.1
85.02847	2.1
87.00742	0.2
89.02341	1.4
93.03333	0.3
95.01292	0.7
97.02846	2.0
97.06470	0.4
99.00772	0.1
101.02344	2.7
105.01841	0.3
109.02875	0.6
109.06509	0.2
111.00879	0.2
111.04416	0.3
113.02357	3.2
119.03423	1.1
119.04955	0.2
121.06489	0.3
123.00775	0.2
123.08090	1.0
127.07573	7.2
129.38409	0.1
132.76654	0.1
135.04431	0.4
137.09561	0.1
143.03421	0.2
145.06528	0.3
146.07324	0.1
147.08098	1.3
149.09659	0.1
157.10231	0.1
159.08072	0.3
159.11719	0.6
161.04518	1.1
161.05872	0.2
161.09666	1.8
161.13234	0.1
163.03931	0.2
163.07555	0.2
163.11227	2.5
164.11589	0.2
165.05423	0.2
165.09126	0.4
169.08664	0.2
173.04544	0.3
175.07613	0.2
175.11267	0.3
179.05605	1.2
181.08627	0.2
185.09705	0.2
187.07625	0.2
189.05548	0.4
189.07315	0.1
189.09189	0.3
191.05717	0.7
191.07106	16.5
192.07457	0.7
201.09186	1.1
202.09900	0.2
203.10768	1.7
203.14381	0.4
204.11407	0.3
205.08687	11.7
206.09229	0.8
207.10257	0.6
211.07620	0.2
215.10880	0.1
219.10204	0.3
221.08185	1.5
224.10541	0.2
229.08707	0.5
233.08301	0.2
245.64662	0.2
247.09764	0.3
267.21329	0.2
269.19110	0.8
271.17065	0.2
285.18790	0.3
287.20334	0.6
305.21262	0.3
311.20303	0.2
313.18173	3.9
314.18295	0.4
327.19778	0.3
329.17722	0.2
329.21280	1.1
331.19223	100.0
332.19565	9.2
345.20795	0.8
349.20276	57.6
350.20621	4.5
350.24237	0.1
355.19220	0.5
359.22318	0.4
363.21954	1.1
367.21295	0.3
373.20276	9.2
374.20508	0.8
384.14069	0.1
385.20016	0.6
386.04965	0.2
391.21368	7.1
392.21912	0.7
403.21353	2.5
404.21692	0.2
415.21329	0.5
421.22339	1.3
433.22318	0.8
445.22742	0.1
451.23383	0.7
481.24652	0.3
493.24771	0.3
511.25549	1.0
529.26410	0.3
630.44568	0.1
861.47217	0.5
862.46674	0.2
897.51935	0.2
927.42310	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	1013.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01269	7.0
73.02834	1.5
79.95593	0.5
81.03348	1.1
83.01280	3.3
83.04931	1.0
85.02846	8.4
87.00771	29.1
89.02332	1.8
89.03863	1.2
93.02741	0.5
93.03350	4.3
94.09090	0.4
95.01290	1.7
95.04933	1.6
96.95914	4.2
97.02842	3.2
99.00779	1.6
99.04406	0.8
101.02345	1.7
105.03367	0.5
105.85244	0.4
106.04162	0.4
108.02068	1.1
109.02860	1.7
111.00808	3.8
111.04417	1.2
113.02365	5.3
115.00298	1.6
117.03378	4.4
119.04950	2.2
121.02853	1.1
123.04418	0.5
127.03922	0.8
129.01869	0.7
130.04176	1.5
131.03391	0.5
132.02097	15.9
133.02908	2.8
134.03664	50.8
135.04495	4.8
136.01642	0.5
137.02380	1.9
139.00363	0.7
139.03947	1.3
140.01051	0.6
141.01889	1.2
145.02988	0.5
146.03632	0.4
147.04453	25.0
148.05185	0.9
149.06023	7.1
151.03955	0.8
152.01091	0.4
153.05478	0.9
155.03502	0.7
157.04988	1.1
158.03676	67.0
159.04378	4.8
160.01605	57.6
161.02374	5.7
161.04495	0.9
161.05986	0.6
163.03920	0.7
173.06033	64.7
174.03098	0.6
174.06345	2.6
175.03960	72.2
176.04538	3.9
178.02655	5.5
179.03392	1.3
183.02957	2.0
187.07710	0.9
191.05559	9.0
191.07135	6.6
192.04150	0.4
193.05035	40.7
194.05382	2.1
195.06567	0.5
201.01961	6.0
201.03990	33.9
202.02649	4.9
202.04378	1.0
203.03409	1.5
215.07118	1.5
217.05052	66.9
218.05370	3.1
223.90511	0.4
229.08736	0.6
247.06172	1.1
269.08167	0.4
291.10953	0.4
308.09061	0.7
313.07224	1.0
315.18100	1.3
331.08383	0.6
349.09351	69.7
350.09674	4.2
352.08069	1.4
353.08914	1.2
375.07211	0.8
377.08862	1.1
391.05713	1.0
395.11575	2.1
417.08527	0.5
419.09921	29.8
420.10211	2.5
437.18375	2.3
437.68668	0.7
439.32330	2.3
449.14563	1.0
452.18402	0.6
463.13965	1.4
507.13040	9.5
508.13434	0.5
523.16016	0.6
525.14075	6.1
526.14594	0.7
535.25610	2.3
567.15186	100.0
568.15497	13.7
598.02325	0.4
715.28430	0.5
722.29437	1.1
722.79230	0.9
730.79169	0.5
788.31378	8.0
788.81616	6.0
789.31677	3.2
789.81641	1.2
790.33234	0.6
983.42761	0.4
1013.36981	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	1009.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01274	1.2
71.61006	0.2
72.74924	0.1
72.99163	0.1
73.02847	0.9
75.00764	0.3
79.24583	0.1
81.03338	0.1
83.01286	0.3
85.02862	0.4
93.03353	0.4
95.01274	0.1
95.04926	0.1
97.02854	1.2
97.06493	0.1
101.02361	0.8
107.04966	0.1
109.02859	0.4
109.06548	0.1
111.04421	0.1
111.25967	0.1
112.33062	0.1
113.02356	0.4
117.03439	0.1
119.04929	0.5
121.06500	0.1
123.00799	0.2
123.08085	1.1
125.02319	0.2
127.07581	2.5
128.07925	0.1
129.20547	0.1
133.06528	0.1
134.03670	0.1
135.04469	0.2
137.02380	0.1
139.04045	0.1
143.03435	0.1
145.02878	0.6
146.07291	0.1
147.08122	0.4
148.05263	1.3
149.04434	0.1
149.05750	0.1
155.03534	0.1
159.11739	0.1
160.01645	0.1
161.04491	0.1
161.05898	0.1
161.09671	0.2
163.03955	0.7
163.07600	1.0
163.11235	0.2
165.05542	0.5
165.09113	0.2
168.78906	0.1
169.08691	0.1
169.91568	0.1
173.04573	0.2
175.04018	0.1
177.05502	0.1
177.09140	0.1
189.05591	0.2
189.09229	0.2
189.12852	0.1
191.05696	0.8
191.07114	17.0
192.07469	0.9
193.05098	0.3
194.44476	0.1
203.05617	0.2
203.10736	0.1
203.14334	0.4
204.05551	0.1
205.08693	11.6
206.09274	1.2
207.10229	0.5
215.07217	0.1
219.10272	0.1
221.08237	2.2
222.08537	0.2
224.10518	0.1
227.07150	0.1
230.09489	0.2
269.19119	0.5
273.60861	0.1
277.66541	0.1
285.18661	0.1
287.20184	0.1
289.17987	0.1
311.20187	0.2
313.18188	2.5
314.18454	0.3
329.17703	0.2
329.21262	0.5
331.19235	100.0
332.19574	9.1
345.20764	0.4
349.20294	22.1
350.20590	1.9
355.19244	0.5
363.21890	1.2
364.22223	0.2
373.20306	4.2
374.20715	0.4
385.20639	0.2
391.21396	2.7
392.21759	0.3
403.21283	0.2
415.21429	0.1
421.22873	0.1
471.78506	0.1
493.24399	0.1
553.13782	0.5
1009.38812	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	1007.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01273	29.5
71.63176	0.4
72.01609	0.3
72.99214	1.3
73.02837	1.1
75.00774	0.6
77.41756	0.2
79.95624	2.9
80.96416	0.5
83.01286	1.2
84.02071	1.1
85.02847	41.7
86.03197	0.9
87.00771	1.7
89.01896	0.2
89.02342	10.7
93.03364	1.0
95.01287	15.4
96.01585	0.3
96.31216	0.2
96.95917	38.5
97.02856	1.0
99.00793	0.8
101.02354	1.7
111.00739	0.3
111.04410	0.3
112.01568	0.4
113.02362	76.2
114.02710	1.8
119.04948	0.7
125.02347	0.6
131.03409	1.2
132.57838	0.3
133.02916	0.6
138.96994	0.4
139.00337	1.1
143.03432	1.8
145.02975	0.3
149.04515	0.6
161.02411	0.5
161.04506	4.7
163.03918	0.3
173.04503	0.6
177.01872	0.4
191.05582	2.2
195.06638	0.3
222.99141	0.6
241.00259	0.8
373.04520	6.2
391.05695	0.8
409.28036	0.3
439.32300	5.9
440.32611	1.0
479.38705	0.3
520.02399	0.3
795.42316	0.4
815.34924	0.4
875.37762	1.6
927.46277	3.5
928.46039	0.7
968.92047	1.8
969.41797	0.9
1007.41882	100.0
1008.42126	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	1007.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91898	0.3
70.92235	0.3
71.01272	6.5
71.04912	0.1
72.99200	5.4
73.02835	2.2
75.00786	0.2
81.03355	0.2
83.01273	1.3
85.02852	4.2
85.99999	0.2
87.00778	0.4
87.92809	0.1
89.02341	1.1
91.05424	0.2
93.03355	1.4
95.01286	0.8
97.02842	0.4
99.00787	2.2
101.02358	4.8
101.03012	0.3
102.02740	0.2
102.95533	0.1
109.02847	0.2
113.02362	4.0
117.00220	0.2
117.03376	1.4
119.04948	100.0
120.05283	3.7
121.02855	0.7
125.02324	0.3
129.01836	0.2
131.03413	0.2
132.05751	0.3
133.02885	0.3
133.06506	0.6
135.04497	0.3
143.03479	0.6
145.02905	2.4
159.02963	0.3
159.04362	0.2
161.02385	0.2
161.04510	1.4
161.06006	0.6
162.03200	0.2
163.03961	59.7
164.04298	2.6
173.04527	0.4
173.05991	0.1
175.07684	0.2
177.01862	0.2
179.03459	0.3
187.04022	0.2
191.05585	1.4
195.06686	0.2
205.05058	1.1
219.06589	0.2
275.23923	0.3
277.07318	0.4
283.02527	0.2
285.04111	0.4
307.08301	0.2
325.09424	1.0
337.09238	0.2
347.18796	0.2
437.29449	0.3
439.12558	2.7
440.13263	0.2
457.13629	60.9
458.13995	5.4
458.20471	0.3
463.26904	0.2
481.28290	0.9
499.14719	0.8
523.29260	10.4
524.29462	1.4
903.40253	0.2
921.41626	0.6
963.42542	36.4
964.42896	9.0
1002.01807	0.2
1007.40222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56917	1.6
74.25278	0.9
78.95804	2.8
88.81536	0.8
109.13871	0.9
152.99522	2.5
166.21022	1.0
203.14388	3.9
273.22244	1.8
301.21814	36.9
302.22144	3.3
319.22873	5.4
361.23914	15.7
362.24155	1.6
429.95212	0.8
438.13345	1.0
481.15411	17.2
481.25745	1.2
482.15762	2.3
495.17081	5.5
496.17184	1.8
514.15076	1.8
540.16473	8.8
541.17059	1.7
555.10504	1.3
555.18854	20.2
556.19183	3.6
572.15625	14.2
573.15704	2.0
586.17151	3.2
641.22754	26.1
642.23126	3.4
1003.47375	100.0
1004.47528	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	1005.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01278	7.9
72.05910	0.7
73.02818	2.2
81.03330	1.3
83.01278	0.8
85.02843	2.9
87.00764	0.9
88.98687	1.1
89.02350	2.0
93.03387	0.9
96.95917	1.5
97.02853	13.6
97.06493	1.7
99.00774	1.3
101.02354	9.0
109.02880	1.0
113.02337	3.4
119.03407	0.7
121.06510	0.7
122.42647	0.7
124.01601	2.0
125.02377	27.4
127.07576	30.4
135.04494	0.8
142.02649	1.5
142.40106	0.7
147.08078	2.0
159.08055	0.7
161.09674	4.1
163.07629	0.9
163.11223	4.7
165.05533	1.1
165.09198	1.1
179.05611	1.3
181.12192	0.9
187.07675	1.2
189.12877	1.4
191.05605	2.6
191.07126	27.9
192.07460	0.8
201.09143	0.8
203.10826	1.0
203.14433	2.2
205.08698	33.9
206.09195	1.8
207.10239	3.0
221.08217	3.9
221.59706	0.7
225.11269	1.1
254.50345	0.7
258.09558	0.6
258.65723	0.7
269.19193	2.7
287.20297	0.8
311.20132	1.2
313.18231	21.1
314.18576	1.5
315.19760	1.0
329.21307	1.5
331.19238	100.0
332.19662	9.3
349.20294	85.9
349.36865	0.7
349.79715	0.7
350.20642	7.5
355.19318	1.6
373.20279	45.0
374.20624	5.3
391.21368	22.0
392.21796	2.6
397.20242	0.9
403.21310	6.6
404.21918	1.0
415.21292	3.0
421.22449	20.1
422.22839	1.9
433.22366	9.6
451.23477	23.8
452.23892	1.7
457.22458	3.3
475.23526	15.2
476.24435	2.1
493.24594	60.3
494.24667	6.6
511.25623	26.1
512.26068	2.3
553.26422	1.5
637.28992	1.4
694.92584	0.8
765.42694	2.2
783.43359	3.6
784.43726	0.8
825.44696	3.2
826.43835	1.1
843.45538	38.2
844.45972	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	997.6244
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07074	0.2
71.07365	1.7
73.88699	0.1
79.05497	0.1
81.07042	0.4
86.09703	23.0
91.05508	0.1
95.08591	0.3
98.98470	1.6
99.83089	0.1
104.10743	2.6
124.99999	15.7
143.01067	0.3
163.01535	0.2
163.03918	0.2
166.02667	0.1
184.07333	100.0
185.07672	0.4
186.83282	0.1
229.39949	0.1
253.97557	0.1
258.11179	0.2
337.27045	0.2
502.32953	2.3
520.33978	28.8
521.34204	0.5
879.19159	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	1001.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77507	0.1
69.77910	0.3
71.01273	14.0
72.01598	0.3
72.98788	0.1
72.99201	2.5
73.02838	1.1
75.00766	17.1
75.76371	0.1
76.01098	0.2
81.03354	0.1
83.01279	1.4
84.02060	0.3
85.02844	18.0
86.00008	0.1
86.03194	0.4
87.00774	5.1
89.02341	3.9
93.03352	0.4
95.01288	1.9
95.01907	0.1
97.02863	0.7
98.19809	0.1
99.00784	5.3
99.04410	0.1
100.01110	0.1
101.02347	3.6
103.00262	0.4
104.59309	0.1
109.02879	0.2
110.22929	0.1
111.00797	0.5
111.04458	0.1
112.01560	0.6
113.02359	16.1
114.02676	0.3
115.00286	1.5
116.01087	0.3
117.01859	0.9
117.57452	0.1
119.03426	1.0
119.04932	0.2
123.08060	0.1
124.21851	0.1
125.02370	0.3
129.01855	0.7
130.99776	0.2
131.03427	0.7
133.01344	0.1
134.03618	0.1
135.04451	0.1
137.02380	0.2
139.00319	0.1
139.03947	0.1
143.03445	0.2
145.01256	0.1
145.02914	0.1
150.03123	0.1
157.01375	0.5
159.02917	0.1
160.01642	0.1
163.03975	0.2
165.01848	0.1
165.05490	0.1
173.04494	1.2
175.02466	1.1
178.65283	0.1
179.03363	0.1
179.05672	0.1
180.04187	0.1
181.04997	0.1
189.09259	0.1
191.03905	0.1
191.05574	1.1
191.07216	0.0
192.05917	0.1
193.03470	0.2
193.05040	0.1
195.06557	0.1
205.08842	0.1
234.49086	0.1
255.03093	0.1
285.04202	0.1
287.10364	0.1
329.17834	0.3
337.09534	0.1
341.70413	0.1
347.18634	0.2
348.18945	0.1
373.18765	0.6
392.66187	0.1
431.19269	0.2
473.20255	0.2
490.19345	0.1
491.21436	100.0
492.21777	11.2
922.87543	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	991.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	1.9
69.07066	0.7
71.01352	0.3
71.05017	0.3
73.02917	2.7
79.05503	1.7
81.03434	1.0
81.07063	1.7
83.04980	0.3
83.08626	0.4
85.02915	3.3
91.03941	2.3
91.05482	1.6
93.07056	1.6
95.04991	0.5
95.08604	2.0
97.02896	3.3
97.06541	0.2
98.21502	0.6
99.04488	0.5
101.02390	1.0
105.07063	0.9
107.08632	1.0
109.02888	0.5
109.06559	0.3
109.10191	0.6
109.61713	0.3
115.03940	0.3
117.07079	0.4
119.08592	0.7
121.10144	0.6
127.03944	1.1
131.08614	0.4
133.10146	0.4
135.11742	0.4
145.10150	0.3
147.11752	0.3
161.13229	0.2
177.52701	0.3
185.04277	0.4
203.05357	0.6
243.08466	1.3
333.20239	1.6
347.09665	1.8
363.08932	0.4
365.10635	0.8
389.23059	0.3
405.13748	4.2
405.18652	0.4
453.21017	0.4
519.29327	5.1
551.28442	2.9
644.35822	0.3
667.11572	0.3
681.34454	5.4
713.33240	2.4
829.51202	0.8
991.56018	100.0
992.56531	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	986.6064
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	6.2
69.07066	14.4
71.04993	2.9
71.59883	1.8
72.25285	1.0
73.02925	1.5
77.03944	0.9
77.81552	0.9
79.05494	42.5
81.03413	6.6
81.07056	57.5
83.04999	5.8
83.08615	11.3
85.02896	9.5
85.06524	2.5
91.03936	2.6
91.05476	36.5
93.07041	50.0
94.37503	1.0
95.04968	8.9
95.08605	37.7
97.02916	5.2
97.06519	5.6
97.10183	3.8
99.04456	1.6
99.08106	1.5
105.04494	1.1
105.07027	28.1
107.04974	3.0
107.07869	1.7
107.08591	30.6
109.02889	1.2
109.06502	4.5
109.10160	25.3
110.68238	0.9
111.08092	3.8
113.09637	1.3
117.07003	11.9
119.08570	22.3
121.06498	1.5
121.10142	21.5
123.08044	2.5
123.11723	6.6
125.09637	4.4
127.03938	3.3
128.06255	1.5
129.05472	1.3
129.07005	4.1
131.08574	19.2
133.06483	1.3
133.10136	16.8
135.08047	2.1
135.11687	14.0
137.09592	2.4
137.13275	1.2
141.07060	1.6
143.08589	4.5
145.04955	2.0
145.10120	15.5
147.08113	1.1
147.11676	8.7
149.09618	3.1
149.13257	8.7
151.11211	1.3
155.08614	1.9
157.10121	5.6
159.11693	12.6
161.13231	6.0
163.06021	1.1
163.11214	3.3
163.14789	2.4
165.12570	1.2
169.10095	3.0
171.11696	4.7
173.04477	3.3
173.11771	3.0
173.13301	7.3
175.14830	2.6
177.12732	2.4
181.10089	1.3
183.11761	1.6
185.13266	3.1
187.14853	3.0
189.11246	2.4
191.14363	1.3
195.13785	1.3
197.13268	2.1
199.14851	2.1
201.16383	2.5
211.14949	1.7
213.16351	1.0
217.15829	1.4
219.11664	1.0
219.17470	2.6
227.12808	5.9
229.14326	18.6
229.19376	1.6
233.22925	0.9
235.16978	1.3
235.38696	1.2
239.13551	0.9
239.17967	2.6
243.21117	3.6
255.15878	2.6
257.18991	7.1
259.20447	2.2
261.22122	11.5
267.15933	1.3
269.17410	7.4
270.43869	1.0
275.20084	19.7
291.19586	1.4
309.20575	6.3
317.24796	1.6
331.22574	2.6
333.24432	2.0
335.25787	100.0
336.26224	1.0
349.23703	19.8
351.25565	1.2
367.24838	2.2
437.34009	1.1
448.27640	1.1
461.18289	1.0
489.35736	15.9
505.35135	1.2
507.36667	1.8
515.37134	9.0
517.15802	1.1
529.38892	42.1
543.40350	2.5
545.38330	1.3
547.39807	1.3
569.41992	25.9
609.45142	38.5
610.44574	1.4
627.46185	9.9
673.42584	1.7
735.47815	1.2
771.50287	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	10.1
69.07068	1.4
69.41521	1.0
69.41926	3.8
71.04991	2.6
73.02910	0.9
79.05489	6.9
81.03418	31.5
81.07062	8.2
82.04214	0.7
83.01347	1.7
83.04982	2.6
83.08631	0.5
85.02915	3.1
90.94515	0.5
91.05484	11.2
93.07047	12.5
94.07452	0.6
95.04990	4.9
95.08604	11.0
95.09164	1.0
97.02895	19.1
97.06548	1.6
98.11713	0.5
99.04457	5.1
100.87943	0.5
103.05497	1.0
105.07034	21.0
107.04964	1.8
107.08595	16.8
109.02882	100.0
109.06519	9.2
109.10160	3.7
110.03738	2.6
111.00812	0.9
111.04441	5.3
111.08095	6.0
113.05995	1.3
115.03992	0.8
115.05468	0.6
117.07035	3.0
119.04919	1.2
119.08583	43.2
121.02920	0.8
121.06522	4.8
121.10147	19.8
123.04430	2.7
123.08073	14.5
123.11706	5.0
124.08868	1.2
125.02383	0.9
125.09632	91.4
126.10042	0.7
127.03919	89.5
128.06264	0.7
129.01839	0.7
129.07002	1.5
130.07764	0.7
131.08569	2.2
131.97650	0.5
133.06508	3.9
133.10135	36.0
135.04402	0.6
135.08041	1.7
135.11720	4.2
137.05997	2.6
137.09628	5.8
139.03902	2.1
139.07549	0.5
140.17685	0.5
142.50635	0.5
143.08560	6.1
145.04970	7.1
145.06453	1.2
145.10130	3.5
146.07234	0.8
147.04413	1.6
147.08046	19.7
147.11720	1.1
148.08684	0.5
149.05980	1.6
149.09636	2.0
151.03925	4.2
151.07568	3.1
151.11163	5.2
155.08565	1.1
157.10112	1.5
159.08051	0.8
159.11679	1.7
161.05969	1.8
161.09624	26.7
162.09915	0.6
163.03871	0.9
163.07564	1.2
163.11180	3.8
165.05472	1.2
165.09120	26.9
167.07161	0.6
167.10580	0.7
169.04959	3.2
169.10130	1.3
171.08037	1.6
171.11684	1.9
173.09612	1.4
173.13281	1.1
175.03929	1.3
175.11186	2.2
177.09081	0.9
179.10680	21.4
181.04939	1.4
181.12262	0.7
183.11673	1.4
185.09627	1.0
185.13239	1.5
187.11223	1.6
187.14917	0.8
189.05489	1.6
189.09105	21.4
191.10704	0.7
193.04926	5.1
197.09659	1.1
199.11023	0.6
201.09056	1.0
201.12805	0.8
203.10600	0.8
205.04930	0.9
205.08482	0.7
207.10175	32.8
211.05969	0.8
211.11148	1.0
211.14905	0.7
213.12679	0.7
215.10750	0.7
215.14272	0.7
217.04951	3.5
225.11215	45.8
229.12289	0.6
229.15916	2.0
233.11697	0.9
235.06024	3.0
237.11223	1.2
239.17986	1.0
243.17410	1.0
249.11258	2.5
253.15849	1.9
267.12268	6.1
267.17523	1.3
271.16931	4.6
285.18549	2.8
287.12589	0.6
289.17963	6.4
295.16843	1.9
297.13516	1.1
303.19476	1.7
313.17996	5.8
315.12213	2.5
331.19049	49.4
333.13354	8.4
349.16019	1.0
349.20117	18.5
351.14423	9.7
367.21097	1.3
369.15460	1.0
374.39740	0.5
391.21121	12.4
393.15530	0.5
393.20654	0.5
409.22040	0.7
419.11130	0.7
421.22198	3.7
429.23050	0.7
439.21127	2.6
451.23059	1.5
457.22244	54.5
458.22617	1.2
475.23297	30.2
476.23080	0.6
487.40240	0.6
493.24326	7.3
499.23117	1.6
517.23907	0.7
523.22949	0.6
535.25464	1.1
541.24335	1.3
565.24146	2.0
577.26501	0.9
583.25452	3.7
601.26617	3.3
707.53668	0.8
843.38550	0.9
931.43640	1.1
949.45007	1.3
967.47107	2.7
985.47986	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	975.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59199	0.3
110.05793	0.3
119.87601	0.2
121.81904	0.2
129.45311	0.3
130.46968	0.3
149.24374	0.3
312.32748	0.4
697.31458	0.6
698.29077	0.3
741.05255	0.3
898.28735	0.3
975.54431	100.0
976.54846	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	966.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	2.2
69.07061	0.9
69.83037	2.4
71.07372	4.8
79.05501	0.8
81.07056	2.6
83.08595	0.6
86.09704	42.2
91.05488	0.9
93.07033	0.8
95.08591	1.6
96.37363	0.4
98.98450	2.7
104.10741	88.7
109.10178	0.7
125.00000	22.6
127.27950	0.4
135.50223	0.4
143.01050	0.6
163.01552	0.9
166.02811	0.4
181.02534	0.5
184.07335	85.2
228.37546	0.4
258.10965	0.8
337.27475	0.7
502.32831	8.4
520.33972	100.0
521.34161	1.2
758.66333	0.4
981.06500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05820	0.1
69.07068	10.8
70.06593	0.2
71.08651	1.3
74.09695	0.2
79.05489	9.3
81.07053	100.0
82.07397	0.8
83.08614	0.4
91.05476	0.7
93.07045	2.5
95.04957	0.6
95.08601	60.5
96.08931	0.6
97.02853	0.2
105.07003	0.3
107.08579	0.7
109.09438	0.3
109.10146	4.2
118.91331	0.2
118.92148	0.7
129.85161	0.1
135.04353	0.1
135.11694	0.6
136.93048	3.6
137.13248	16.4
138.13579	0.2
154.94148	11.7
163.03870	0.7
172.95224	54.8
173.13162	0.1
177.95729	0.7
190.96272	41.0
192.96736	0.2
195.96811	4.6
196.97224	0.2
206.83647	0.1
208.97305	0.9
213.97878	2.6
216.89850	0.4
218.98436	0.1
232.74049	0.2
233.90652	0.2
234.90724	5.2
251.93513	0.3
252.91849	53.1
253.92355	0.2
254.92397	0.1
254.95232	0.4
257.92432	0.2
261.05569	0.4
270.92899	74.1
272.93399	0.3
273.05527	1.7
275.93439	6.8
276.93756	0.2
279.06659	0.8
284.94614	0.2
288.93927	0.8
291.06638	18.6
292.07089	0.3
293.94495	6.3
303.05099	0.4
309.07718	7.4
314.08200	2.3
316.96115	0.5
320.98120	0.4
332.09433	0.4
332.88657	0.3
337.03357	0.5
344.03174	0.2
350.89676	0.4
371.03293	31.5
372.03653	0.5
389.04346	12.4
409.18069	0.9
412.05978	4.4
469.01001	2.2
507.15839	99.3
508.16129	3.6
525.16949	8.5
548.18500	6.1
549.18860	0.4
587.12518	0.5
605.13519	17.3
606.13806	0.4
643.28674	0.7
675.23657	0.1
686.66174	0.2
741.25983	98.3
742.26312	5.6
750.51813	0.2
969.44824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	10.2
69.07067	9.9
70.06583	0.2
71.08632	1.1
71.58360	0.3
71.93729	0.2
72.08133	0.2
79.05493	7.9
81.07054	81.7
82.07381	0.3
91.05473	0.3
93.07049	1.7
95.04957	0.7
95.08603	46.5
97.02935	0.2
97.82412	0.2
98.53738	0.2
107.08572	0.2
109.10149	2.9
117.03413	0.2
120.96630	12.3
127.03876	0.2
131.04918	0.3
135.11716	0.2
137.13251	15.3
138.95471	0.2
138.96472	0.3
147.04442	0.3
156.97522	0.5
163.03912	0.9
174.98560	1.1
200.92142	0.8
218.92961	2.9
220.27229	0.2
226.07050	0.2
236.94087	32.7
237.94334	0.3
254.95158	100.0
255.95352	0.9
256.95691	0.7
257.09137	21.9
259.95731	3.0
272.96271	0.6
275.09015	0.4
277.96771	6.6
278.96722	0.2
298.11862	0.8
302.96375	0.2
316.90707	5.6
323.01303	0.6
334.91779	33.8
335.91956	0.3
339.92416	0.2
355.05551	6.0
357.93387	3.8
373.06561	2.3
391.07593	0.8
396.08087	0.4
402.67899	0.2
453.03296	5.5
471.04315	2.7
491.18430	13.5
494.05972	0.9
509.19147	2.3
527.20563	0.3
532.20520	0.4
558.87018	0.2
589.15771	21.6
607.16815	3.1
630.18292	1.2
654.72925	0.2
657.21686	0.4
725.28253	76.3
726.28784	1.6
743.29315	15.5
744.29230	0.5
766.30890	2.9
803.98999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	41.4
69.03425	1.8
69.07067	10.8
71.04984	1.8
71.58581	1.3
73.02918	2.8
79.05490	27.9
79.60463	1.1
81.07056	44.0
83.08635	5.7
85.02906	12.3
85.06527	1.5
88.09026	1.2
91.03960	8.2
91.05479	16.9
92.03677	1.1
93.06468	1.8
93.07047	31.9
95.04959	4.6
95.08603	34.4
97.02889	7.7
97.06519	2.5
97.10183	3.1
99.04478	1.2
99.08119	1.2
100.20295	1.1
105.07035	14.3
107.08591	18.5
109.06493	1.4
109.10151	19.5
111.08102	1.0
115.97234	1.1
117.07008	3.4
119.08588	12.9
121.10151	16.2
123.08103	1.6
123.11700	4.8
127.03912	3.7
129.06989	2.0
131.08577	10.9
133.10124	11.3
135.11700	13.5
136.62950	1.1
137.09544	1.3
137.13206	2.5
143.08609	1.9
145.04950	6.6
145.10121	7.1
147.11687	8.0
149.13286	8.3
155.08611	1.2
157.10008	1.3
159.11679	8.4
161.13255	6.8
163.06007	8.1
163.14870	2.8
171.11699	2.0
173.13298	6.1
175.14825	3.0
177.16280	0.9
187.14752	2.9
199.14917	1.3
201.16438	2.2
231.21106	1.4
241.19527	4.6
243.21106	6.7
259.20575	10.6
261.22122	19.9
263.23804	1.3
317.24741	4.1
333.24127	10.0
335.25790	100.0
337.27411	13.9
346.27493	1.2
373.43234	1.3
491.36188	1.6
503.43225	1.2
521.43488	4.7
529.38684	1.3
543.40405	1.4
595.47278	21.0
613.48169	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	953.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05161	1.4
67.05502	17.8
68.65778	0.9
69.03426	14.2
69.07063	5.8
70.09853	4.3
71.01331	1.4
71.04987	3.6
73.02913	1.6
77.03905	1.1
79.05055	1.2
79.05489	18.7
81.03415	40.2
81.06576	1.2
81.07053	21.0
83.01327	2.2
83.04984	7.1
83.08593	2.7
85.02900	6.0
85.06532	0.9
87.04446	1.0
91.05483	25.3
93.07043	32.9
95.04967	9.7
95.08607	27.7
95.09109	0.7
97.02275	1.6
97.02890	24.9
97.06536	9.4
97.10150	1.1
99.04450	5.4
99.08067	1.2
103.05479	2.9
105.03374	1.0
105.07028	50.2
107.04942	9.8
107.08591	44.4
108.08868	0.8
109.02879	79.8
109.06522	11.9
109.10155	43.2
109.10918	1.8
110.03658	1.8
111.00775	1.1
111.04438	33.4
111.08070	5.1
113.05998	2.6
115.03945	1.4
115.05434	2.1
117.07014	9.6
119.04955	3.6
119.08580	70.4
121.02860	2.7
121.06511	8.7
121.09313	1.6
121.10142	21.6
123.04449	7.6
123.08064	13.3
123.11707	7.5
125.05978	3.8
125.09550	0.9
127.03914	100.0
128.06213	4.3
129.01799	2.2
129.07011	6.7
130.07770	1.7
131.04932	1.1
131.08575	12.5
133.06491	40.8
133.10126	49.3
135.04420	2.6
135.08054	23.7
135.11679	8.1
135.51389	0.7
137.05962	4.1
137.09618	7.9
137.13181	1.6
139.03911	1.9
139.07524	2.8
141.07001	2.7
142.07788	3.0
143.08557	15.2
144.09346	1.8
145.04984	5.9
145.06421	3.9
145.09032	1.4
145.10123	20.8
146.07251	0.9
147.04378	2.5
147.08049	26.4
147.11676	7.4
148.08525	0.8
149.05971	1.8
149.09618	12.8
149.13229	1.0
151.03889	5.6
151.07533	1.0
151.11180	5.4
153.05431	1.6
155.08562	4.3
156.09323	3.7
157.06488	2.3
157.10132	17.6
158.10890	2.2
159.08081	5.2
159.11679	15.7
161.05966	3.0
161.09613	31.5
161.13255	2.9
163.03905	1.3
163.07510	2.8
163.11201	13.7
165.05499	1.6
165.06914	2.3
165.09114	30.7
166.07764	2.8
167.08560	2.5
167.10699	1.2
169.04955	3.2
169.06369	1.2
169.10110	6.8
170.10851	2.6
171.08066	4.4
171.11687	15.7
173.09618	5.2
173.13240	7.9
175.03839	1.2
175.07489	1.9
175.11147	4.7
175.14912	0.8
177.05453	2.7
177.12715	1.4
179.08443	1.3
179.10666	22.0
180.09285	1.4
181.04927	2.7
181.10097	9.1
181.12154	2.3
182.10930	1.2
183.11719	5.4
184.08871	1.7
184.12477	1.1
185.09624	13.9
185.13222	6.7
186.13876	1.3
187.07526	1.0
187.11183	7.8
187.14781	3.9
189.05434	2.3
189.09100	21.5
189.12718	3.4
189.16353	1.7
191.07146	1.3
191.10651	4.3
193.04968	8.4
193.08543	1.9
193.10104	2.1
195.08015	0.9
195.11725	5.0
196.12454	1.1
197.09605	2.9
197.13271	6.0
199.11180	26.5
199.14818	8.0
200.11867	0.8
201.09119	1.1
201.12740	3.8
203.10664	4.3
203.14296	1.6
205.05029	0.8
205.12216	3.0
207.10144	33.0
207.12016	2.1
208.12471	1.1
209.09782	1.0
209.11632	1.7
209.13329	4.9
211.05855	1.5
211.14677	4.3
213.07506	1.5
213.12756	4.2
213.16379	2.0
215.10611	2.1
215.14261	1.5
217.04955	2.9
217.12216	13.8
217.15710	1.9
219.11966	1.0
219.13835	5.2
220.12440	1.0
221.11511	1.1
223.11304	1.4
223.14868	1.3
225.11206	75.9
225.16179	2.4
227.10727	1.8
227.14372	1.7
227.17914	2.9
231.13737	1.5
235.05997	2.8
235.13199	2.1
236.15477	0.9
237.12956	1.7
237.16327	4.9
239.10747	0.9
241.12230	3.7
241.19360	1.7
245.11676	1.8
249.11241	1.3
251.18005	5.6
253.07162	2.1
253.16096	0.9
253.19495	0.9
255.13704	2.5
255.17462	4.9
259.13232	1.8
265.15802	1.0
267.12256	10.7
269.18918	8.4
271.20407	1.0
273.18491	4.7
279.12479	1.9
279.17435	7.8
285.18597	0.9
287.16467	2.5
287.20047	10.7
295.16864	2.8
297.13409	1.8
297.18484	34.0
313.17953	7.2
315.19547	96.0
329.21002	1.1
331.19049	9.0
333.13348	22.0
333.20605	14.0
351.14352	13.0
357.20605	6.1
369.15628	1.5
369.20538	3.5
375.14551	1.3
375.21683	9.1
377.21106	1.0
381.20697	1.2
387.19507	1.1
393.20416	1.3
395.22165	1.1
405.20966	3.5
411.16226	1.5
423.21725	10.7
435.23889	1.8
441.16495	1.9
441.22720	38.7
459.17102	0.9
459.23691	26.8
477.24756	7.8
483.23611	2.8
519.26257	2.1
525.24719	1.4
531.23907	1.0
549.25018	2.4
567.25763	2.5
585.26678	3.3
755.41559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03358	0.5
69.40534	0.5
69.40938	2.4
81.03313	0.3
81.06958	0.6
85.02819	0.4
88.02762	0.3
91.05344	1.4
95.08493	0.6
95.17268	0.3
97.02823	0.4
98.21522	0.5
103.05368	0.7
107.04778	0.5
107.08483	0.5
109.02727	0.4
111.04346	0.4
113.41054	0.3
119.04770	1.4
120.05143	0.4
121.02707	0.4
127.03821	0.4
131.04778	1.0
137.13106	0.4
138.54970	0.3
145.02661	0.9
146.19835	0.3
147.04411	6.6
148.04646	0.5
150.23141	0.3
159.03143	1.0
166.01564	0.4
166.86772	0.3
172.94974	0.4
177.04039	0.4
177.05342	1.2
181.04694	0.3
181.06258	0.4
182.01163	0.3
184.02826	5.1
186.04350	0.4
187.02609	1.2
190.96054	0.4
195.08026	0.4
197.05803	1.0
199.07388	0.6
201.08961	0.4
202.03873	3.4
205.03676	0.4
207.04269	0.4
209.05836	0.8
209.09518	0.5
212.89156	0.3
213.08902	0.4
215.06860	1.4
215.10464	0.4
217.08618	2.5
217.97020	0.3
219.10037	0.7
221.05048	0.6
223.04648	0.4
223.07417	0.8
225.08911	0.7
227.06851	0.8
235.09648	2.2
237.08945	1.4
238.11096	0.7
239.10654	0.4
241.08385	0.3
241.12189	0.3
247.10977	0.8
248.09415	0.8
250.51804	0.4
254.10654	0.4
255.09995	0.8
259.09586	0.3
261.08969	0.3
263.10498	1.3
264.13715	0.7
265.08997	0.6
265.12195	7.2
266.10629	6.8
267.13657	0.6
268.12122	0.3
271.09308	0.3
275.08755	1.2
277.16769	0.4
279.10217	1.6
281.11536	0.9
282.14761	1.6
283.13290	33.2
284.08881	0.5
284.11621	6.7
285.11542	0.4
285.14703	0.4
286.12817	0.4
287.05502	7.9
288.05658	0.8
289.12213	0.5
291.10156	2.0
293.11511	0.5
295.05743	0.4
295.18069	1.5
297.11203	0.4
297.19382	1.1
300.15817	0.4
301.14365	11.2
302.12476	1.0
306.14868	2.6
308.12628	1.1
309.11221	17.4
311.09058	0.7
311.12442	0.6
312.57666	0.4
323.17288	0.7
326.13684	1.4
327.12317	4.7
329.18570	0.4
331.16855	1.7
332.12567	1.4
337.14359	0.5
341.18518	3.0
346.21469	0.7
347.19867	0.5
348.14819	0.6
349.18024	4.0
356.16339	0.8
357.14844	0.7
359.20206	1.0
360.19574	1.1
362.20764	0.3
363.24155	0.8
364.22531	1.4
365.20813	0.4
371.20935	0.5
372.19449	0.9
374.17380	0.4
375.15720	0.9
377.22272	1.7
381.25366	18.1
389.22363	4.4
390.20477	0.6
393.16754	1.1
397.20523	0.5
407.23306	12.9
408.21729	1.9
415.19827	0.6
425.24356	13.9
426.24216	0.5
433.20853	0.6
437.25928	0.4
439.21606	0.7
447.30008	2.5
451.22318	5.7
455.26788	1.3
473.28021	5.2
474.26611	0.4
485.14386	0.9
490.22003	0.4
491.22763	1.2
491.29025	25.5
492.29117	0.7
499.26129	1.7
517.19452	0.7
517.27032	14.2
518.27264	0.4
549.34326	1.0
557.33765	2.0
601.32867	0.6
605.69336	0.4
607.42102	1.1
615.38983	2.6
633.40137	33.8
634.40131	0.8
673.31793	1.4
681.44061	0.7
699.44781	6.2
717.45837	57.9
718.46149	1.8
835.46307	0.3
951.56067	100.0
952.55945	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	946.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	4.8
69.03427	13.8
69.07069	4.0
69.18025	0.4
69.34030	3.1
69.34438	1.4
71.01355	1.0
71.04990	0.7
73.02914	3.8
75.04474	0.6
79.05492	4.6
81.03414	0.8
81.07054	13.7
83.04990	3.6
83.05421	0.7
83.08615	3.3
85.02905	10.2
85.06533	0.7
87.04465	5.1
91.05478	5.8
93.07043	11.4
95.01362	2.1
95.04968	1.6
95.08604	23.2
96.08936	0.5
97.02888	23.4
97.06525	2.0
97.10168	1.9
99.08105	1.1
103.03932	0.7
103.05457	0.8
105.07023	14.6
107.07859	1.0
107.08590	20.9
109.02882	0.6
109.06515	1.7
109.10150	16.6
111.04465	0.8
111.08095	2.6
115.03924	11.6
115.04734	0.8
117.07005	2.1
119.08578	30.5
121.06560	0.8
121.10137	16.1
123.00800	0.4
123.08074	1.6
123.11691	4.4
125.09629	5.1
127.03916	1.9
128.06241	0.7
129.07019	0.7
131.08569	9.6
133.04962	5.5
133.10123	19.9
135.04382	0.5
135.08022	0.9
135.11688	9.1
137.05907	0.5
137.09622	1.4
137.13263	0.9
139.03882	0.8
139.11143	0.4
141.01820	7.4
143.08504	2.3
145.04971	0.8
145.10118	21.3
146.10783	0.4
147.11685	10.7
149.09622	1.6
149.13246	6.8
150.62962	0.4
151.07440	0.5
151.11172	1.5
153.09149	1.6
156.09390	0.5
157.04955	0.8
157.10109	4.7
158.10904	0.8
159.02879	1.0
159.11685	20.3
161.09654	0.6
161.13245	15.2
163.03923	0.5
163.11189	1.9
163.14833	7.4
165.09140	0.7
165.12779	0.8
169.10072	0.6
171.11697	5.2
172.12462	0.8
173.09656	0.5
173.11742	0.8
173.13255	15.4
175.06020	0.7
175.14818	14.0
175.16269	0.9
177.09152	0.4
177.12723	1.4
177.16383	9.5
179.10677	1.0
179.14278	0.6
183.11687	0.6
185.13275	3.2
186.14105	0.6
187.14804	25.6
188.15187	0.5
189.16377	24.8
190.16830	0.8
191.10664	0.7
191.14334	1.9
191.17924	5.4
193.15834	2.5
197.13237	2.1
198.13814	0.5
199.14836	8.0
200.15372	0.5
201.16371	42.8
202.16750	1.6
203.14240	0.7
203.17906	9.6
204.01070	0.4
205.15871	3.9
205.19612	0.8
207.13747	0.6
207.17416	1.0
209.13179	0.7
211.06073	1.7
211.14827	1.5
213.16382	10.3
215.14531	0.7
215.17935	13.9
216.18343	0.7
217.15883	4.5
217.19514	0.9
219.17429	11.9
221.15349	1.3
223.16869	0.9
225.16393	1.5
227.17950	2.7
229.07063	1.8
229.15944	1.1
229.19467	4.3
231.13948	0.5
231.17461	5.0
233.15419	1.0
233.18977	2.1
235.16982	4.6
237.18608	0.9
239.18010	0.9
240.18381	0.5
241.19469	2.6
243.21217	0.8
247.08156	1.1
247.16925	8.2
249.18500	1.5
251.17970	0.6
253.19543	1.6
255.21138	1.4
257.19080	0.7
259.20657	0.5
261.18521	7.2
265.09174	3.0
267.21146	0.9
269.18936	0.5
269.22650	1.0
273.06015	1.6
275.20132	2.2
279.20963	0.8
281.22559	2.5
283.24258	1.4
287.20193	1.1
288.30264	0.5
291.07019	2.4
293.22684	0.6
299.20020	0.6
307.24292	0.6
309.08148	2.0
309.25732	0.5
311.23889	0.6
319.24359	0.5
327.23206	5.1
341.24808	1.6
349.28882	0.8
355.26321	0.8
377.32059	1.7
389.31915	6.3
391.33490	1.0
395.29395	1.7
395.33890	0.6
407.33087	19.0
408.33389	1.4
409.30075	0.6
409.34918	3.1
417.31616	0.5
423.32532	5.3
425.34143	6.0
426.33783	0.5
435.32599	25.8
436.32861	1.5
441.33786	1.2
443.35522	0.6
453.33633	49.2
454.33801	3.3
458.96844	0.6
471.34705	100.0
472.35019	6.5
489.35880	3.5
611.35608	1.0
629.36938	4.3
630.37018	0.6
647.38116	0.6
665.38757	2.6
765.57654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.0
69.03431	39.4
69.07066	3.9
71.01345	0.9
71.04983	1.2
71.59705	0.6
73.02898	1.7
75.04482	2.1
79.05481	2.8
81.03414	3.3
81.07058	9.6
83.01339	0.8
83.04974	2.1
83.08617	2.1
85.02904	25.1
85.06523	1.3
87.04468	21.2
91.05479	3.9
93.07047	8.5
95.04968	1.6
95.08613	19.9
96.08952	0.4
97.02893	36.5
97.06535	1.1
97.10174	1.7
99.04470	2.4
99.08078	1.2
101.02360	0.6
103.03947	0.5
105.07029	13.0
107.08595	17.3
109.02902	1.1
109.06512	2.0
109.10163	11.3
111.04473	2.5
111.08080	1.9
113.06001	0.5
115.03929	33.6
117.05500	1.0
117.07009	0.9
119.08580	23.3
119.59541	0.4
121.06531	3.3
121.10147	18.3
121.11024	1.0
123.04411	0.8
123.08055	1.6
123.11697	5.0
125.06032	0.5
125.09615	0.6
125.46713	0.5
127.03927	4.5
129.05530	0.6
129.07007	0.9
131.03436	0.7
131.08574	9.8
133.04967	27.6
133.10132	16.4
135.04510	0.6
135.08052	2.1
135.11694	8.1
137.05949	2.9
137.09615	1.1
137.13239	1.3
139.03889	2.6
139.07544	0.6
143.08551	2.4
145.04973	5.7
145.10130	16.1
147.04308	0.6
147.08078	2.0
147.11688	12.2
149.04469	0.9
149.06017	0.6
149.09624	1.7
149.13263	11.4
149.14275	0.4
150.07625	6.2
151.03951	0.5
151.11171	0.8
151.14804	0.6
153.09076	2.5
155.08549	0.6
157.04951	4.2
157.10146	3.5
158.10939	0.7
159.08061	0.6
159.11696	10.4
161.04468	1.3
161.09610	4.0
161.13264	12.6
163.07529	0.6
163.11182	3.1
163.14819	12.7
165.05467	1.2
165.12796	1.0
165.16447	0.6
167.10646	0.7
169.04999	0.9
169.10181	1.0
171.11690	2.9
173.09692	0.6
173.13261	14.2
175.06093	0.8
175.11203	1.0
175.14833	15.4
177.09073	0.8
177.12802	1.1
177.16396	15.2
179.10663	1.3
179.14316	1.6
181.04961	1.0
183.11728	1.1
185.13235	4.8
187.14827	31.5
188.15237	0.9
189.12769	6.6
189.16380	21.3
190.13338	0.5
190.16656	0.6
191.14299	7.1
191.15921	0.6
191.16255	0.5
191.17944	4.9
193.04941	1.1
193.15884	1.0
197.13164	0.6
199.06061	0.8
199.14835	5.4
199.59894	0.5
201.12679	0.6
201.16379	16.9
202.16774	0.7
203.14345	3.8
203.17958	39.8
204.18283	1.1
205.12265	1.3
205.15903	8.2
205.19525	1.4
207.13847	3.5
207.17537	0.8
209.15315	0.6
209.41739	0.5
211.06059	2.1
211.14833	0.8
213.16367	3.6
215.14359	1.4
215.17949	4.2
217.07056	1.0
217.12288	0.5
217.15927	1.9
217.19543	1.7
219.13861	1.7
219.17345	2.5
221.15395	2.3
223.16956	1.2
225.16486	1.3
227.17955	1.9
229.07080	12.5
229.15913	1.4
229.19434	3.8
231.13950	0.8
231.17484	1.5
233.15413	1.2
235.13260	1.0
235.16917	3.4
237.14587	0.8
239.18054	1.6
240.11229	0.4
241.07054	0.6
241.19533	1.3
243.17464	2.7
245.19038	0.6
247.08145	6.1
247.16946	4.2
249.18506	3.4
253.14413	0.8
253.19659	0.5
255.21062	1.2
259.08286	1.1
261.18564	3.4
263.20090	1.6
265.09204	21.2
267.20963	1.1
275.20114	0.9
279.21042	0.5
281.22723	0.7
283.24380	0.8
295.10138	0.9
305.22736	0.7
309.25797	1.5
321.25925	0.7
337.29059	0.7
355.26254	0.6
365.32114	1.0
375.30368	3.6
377.32022	4.6
383.33325	1.0
393.31522	15.9
394.32025	0.6
395.33215	8.0
411.32608	18.8
412.33023	0.9
413.34140	6.1
421.31027	8.4
423.32568	4.9
439.32083	32.3
440.32501	1.7
441.33521	1.1
457.33151	100.0
458.33447	5.2
467.31808	2.6
485.32584	4.5
503.33643	6.6
532.88684	0.6
535.34967	0.7
553.35242	1.6
571.36389	2.0
589.37354	12.6
590.37891	0.9
617.37225	2.3
749.40869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01849	0.4
67.05505	6.4
68.77374	0.4
69.03132	0.4
69.03436	5.4
69.07066	1.9
69.57534	2.3
69.57941	0.8
71.01369	0.5
71.04971	2.2
73.02912	0.4
79.05488	6.7
79.23141	0.3
81.03415	11.7
81.07054	7.5
83.04979	2.1
83.08629	0.4
85.02905	3.1
85.06516	0.4
89.03901	4.2
91.05473	9.5
93.07040	14.8
95.04968	4.0
95.08604	7.8
95.90425	0.4
97.02888	11.8
97.03511	0.6
97.06541	2.2
99.04449	3.4
103.05482	0.7
105.07025	19.0
107.04946	4.6
107.08591	16.6
109.02876	14.0
109.06516	4.6
109.10151	16.3
109.10919	0.6
111.04448	5.6
111.08086	1.7
113.06013	0.7
113.09650	0.3
115.03924	0.9
115.05454	0.9
115.51613	0.5
117.03373	11.8
117.07011	4.0
119.04951	1.2
119.08577	23.5
121.02878	1.8
121.06507	4.3
121.10132	6.6
123.04443	3.3
123.08071	4.8
123.11702	2.6
125.05991	1.0
127.03910	100.0
128.06203	2.0
129.05440	0.4
129.06989	3.9
130.07773	0.6
131.08565	4.5
133.06517	2.0
133.10127	18.0
134.03647	0.6
135.04416	1.1
135.08043	10.0
135.11665	3.0
137.05966	1.7
137.09619	3.8
137.13182	0.5
139.07553	0.9
141.06976	0.7
142.07774	1.6
143.08556	7.0
145.02843	34.8
145.04936	2.8
145.06496	1.3
145.10110	6.9
146.07275	1.0
147.04500	0.4
147.08044	10.9
147.11687	3.2
149.05978	5.9
149.09628	4.1
151.07504	0.6
151.11195	1.9
152.06201	0.6
153.09137	0.5
155.08531	1.2
156.09329	1.3
157.06448	1.4
157.10147	3.9
158.05983	0.5
158.07262	0.6
159.08060	1.5
159.11673	2.3
161.05946	0.9
161.09612	13.3
161.13260	0.9
162.03078	0.8
163.03891	1.5
163.07515	0.6
163.11163	9.6
165.07001	1.5
165.09102	12.0
166.07779	1.8
167.08548	0.9
169.10120	1.7
170.07329	0.6
170.10858	0.4
171.08066	1.5
171.11668	4.4
173.09624	2.1
173.13222	0.7
175.07549	0.6
175.11276	2.1
177.05464	53.6
177.12769	0.9
178.05835	0.4
179.10658	8.1
181.10114	6.1
181.11629	0.7
183.11615	0.7
184.08842	0.7
185.09602	8.8
185.13278	0.9
186.05511	1.6
187.11182	1.0
189.09111	8.8
189.12706	2.2
191.10663	2.6
193.08492	0.5
195.06520	0.6
195.11685	1.0
197.09563	0.9
197.13234	0.6
199.11171	24.8
201.12811	0.7
203.10614	2.9
205.12192	0.6
207.10143	12.7
209.09743	0.4
209.11519	0.7
209.13364	0.6
211.14944	0.5
213.12732	0.9
215.14240	0.4
217.12241	12.9
219.13757	0.6
221.04445	0.7
221.11661	0.5
223.11024	0.6
225.11197	39.8
227.10666	0.6
227.12599	0.5
227.17923	0.8
235.13203	2.8
237.16417	0.6
249.11096	0.6
251.17986	0.8
255.17400	0.8
259.13220	1.0
266.13721	0.4
267.12231	6.1
269.15561	0.4
269.18839	1.4
273.18585	0.6
277.14352	0.7
279.12146	0.5
279.17508	0.6
285.07523	1.7
285.14670	0.4
287.19943	0.9
289.12549	0.4
297.13321	0.6
297.18533	4.3
301.17871	0.5
309.18344	0.4
313.17957	0.8
315.19525	17.8
321.09863	1.9
324.18475	0.4
331.18939	0.9
333.13388	4.0
333.20508	1.4
339.10721	3.5
339.62073	0.4
341.21063	0.9
351.14371	3.0
357.20618	7.1
369.15817	0.6
369.20511	4.0
375.21695	2.3
377.21085	0.7
393.20441	0.9
395.22235	0.7
405.20050	1.8
411.21829	0.5
413.23065	0.8
423.16687	0.6
423.21634	6.2
441.22736	16.7
443.14636	0.4
459.23724	6.5
477.24500	1.3
653.29346	1.5
673.74231	0.4
815.34442	0.4
941.45172	0.6
946.93280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	3.3
67.05509	100.0
67.30635	1.9
67.51018	1.8
69.03430	6.5
69.07066	16.5
71.04987	4.8
71.60265	2.7
71.60633	2.1
73.02922	3.6
75.07633	2.0
79.05499	42.3
81.03456	10.1
81.07064	63.4
83.04981	8.7
83.08618	14.9
85.02910	22.9
87.04465	4.2
91.03962	7.7
91.05485	30.0
93.07051	38.8
95.04983	10.6
95.08608	44.9
97.02911	11.2
97.06569	4.7
97.10173	21.7
105.07048	15.8
107.04998	2.4
107.08601	32.6
109.06482	2.8
109.10159	60.9
111.08101	5.8
111.99960	1.9
117.07040	9.5
119.08578	20.9
121.10136	24.8
123.08070	2.5
123.11723	4.9
125.09630	16.8
127.04008	3.1
129.07047	3.6
131.08562	14.6
133.10139	12.7
135.08081	2.2
135.11679	17.6
137.09647	4.0
139.11220	2.4
143.08580	3.7
143.10631	3.1
145.05035	4.4
145.10123	11.4
147.11661	10.6
149.02312	2.1
149.13293	6.7
155.08508	2.5
157.10141	2.9
159.11717	7.5
161.13306	6.0
163.05977	2.9
163.11234	4.7
163.14778	2.3
171.11702	3.0
173.11752	15.7
173.13272	8.3
175.14853	3.2
177.12639	2.5
184.07317	3.3
185.13254	3.7
187.14861	3.2
189.11235	2.3
193.12193	3.0
199.13336	7.1
199.14983	3.1
209.11752	5.3
223.71745	2.2
227.12833	11.2
229.14351	52.8
243.21147	3.5
245.13864	6.1
259.20584	3.6
261.22174	16.2
267.15942	8.3
283.15512	2.2
301.16431	25.2
315.23093	3.7
317.24734	3.4
335.25806	74.6
337.27194	2.4
363.25336	4.4
389.27197	2.4
433.30957	3.1
469.33206	2.8
477.35818	8.1
489.35641	16.3
495.61792	2.4
525.35492	2.9
543.37085	15.3
561.37830	19.6
579.38397	3.2
797.68286	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	938.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.7
67.05507	97.9
69.03419	6.3
69.07070	28.8
71.01342	2.0
71.04990	10.4
71.60326	3.2
73.02921	6.1
75.86998	2.0
79.05499	75.2
81.03415	13.4
81.06577	4.9
81.07056	96.4
83.04990	10.8
83.08624	15.1
85.02898	24.4
85.06536	5.3
86.39038	2.2
90.37877	2.2
91.03966	14.6
91.05482	61.5
93.07043	84.8
95.04966	18.7
95.08608	66.4
97.02892	19.3
97.06559	13.7
97.10184	9.9
99.04442	3.9
105.07027	45.6
107.04959	7.0
107.08595	46.1
109.06519	7.0
109.10163	40.6
111.04444	15.3
111.08054	6.0
115.05491	2.4
117.07028	21.1
119.08578	37.2
121.06507	4.7
121.10147	50.3
123.08062	8.1
123.11694	9.9
125.06023	3.9
125.09653	9.5
127.03927	5.6
129.06981	8.8
130.07832	3.3
131.04893	2.2
131.08566	36.8
133.10127	30.2
135.08003	3.5
135.11699	28.1
137.09604	6.7
137.13242	3.3
139.11189	9.5
143.08560	9.5
145.04968	7.6
145.10132	38.2
147.08073	6.7
147.11708	15.5
149.09645	10.9
149.13281	10.3
151.11218	5.2
153.12747	2.6
155.08527	5.1
157.10123	7.7
159.11703	16.2
161.09644	3.8
161.13271	8.5
163.06100	3.4
163.11215	13.6
163.14880	2.8
167.10640	4.2
169.10168	2.4
171.11681	5.7
173.09718	4.8
173.11763	5.1
173.13269	11.1
175.11139	3.4
175.14931	2.3
181.12270	6.2
183.11652	3.0
185.13287	6.6
187.14798	4.1
189.11218	3.7
191.10739	9.7
195.11913	2.3
199.14841	4.4
203.12686	3.7
209.11725	44.2
227.12791	13.7
229.14328	7.8
241.14160	10.9
243.15926	4.7
243.21063	5.1
259.15329	3.5
259.20621	6.1
261.22134	20.0
273.22147	3.7
277.21600	2.5
283.15384	21.6
285.22086	2.8
289.21848	3.3
299.23563	2.6
301.16467	42.6
301.21652	4.4
303.23218	8.0
305.45456	2.2
315.23138	11.3
317.24588	4.2
333.24176	6.9
335.25809	85.9
336.26340	2.3
341.24902	2.7
357.24185	2.8
375.25421	2.4
377.27325	2.5
389.26944	2.7
407.28519	2.5
433.30994	4.6
451.32159	7.9
454.18579	2.3
458.75162	2.5
469.33005	8.9
472.63562	2.4
487.33926	7.1
501.35959	12.9
515.37225	4.8
519.36700	3.9
525.35760	15.1
543.28271	3.5
543.36780	79.7
561.37872	100.0
579.39166	18.3
705.41431	6.2
890.57971	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	2.1
67.05507	48.0
69.03429	3.4
69.07072	11.1
69.59801	1.2
69.60210	4.4
71.05003	3.3
73.02887	1.8
79.05496	32.9
79.39449	0.8
81.03421	72.7
81.07060	51.6
82.03695	0.7
82.07359	0.7
83.04993	4.9
83.08144	1.2
83.08620	21.2
85.02505	0.6
85.02900	7.1
85.06522	2.2
89.61667	0.7
91.03970	6.8
91.04488	1.2
91.05484	29.3
93.07047	42.7
95.04369	1.3
95.04974	29.1
95.08610	38.1
97.02896	6.2
97.06541	4.6
97.10157	7.4
99.04438	1.0
99.08096	1.1
104.74874	0.8
105.07037	23.5
107.04955	6.6
107.08596	25.3
109.02912	1.1
109.06524	4.1
109.09464	1.0
109.10164	16.9
111.04408	2.3
111.08086	5.2
115.05424	2.3
117.07022	6.4
119.04890	0.9
119.08585	24.1
121.06502	3.6
121.09312	1.3
121.10142	20.9
123.04409	2.2
123.08076	3.5
123.11703	7.3
125.09666	4.4
127.03917	1.9
129.07001	9.1
131.08566	15.7
132.23262	0.7
133.06477	3.2
133.09129	0.8
133.10132	14.2
135.08002	2.2
135.11690	12.3
137.09641	3.3
137.13205	2.0
142.07751	2.7
143.08527	2.3
145.04924	2.3
145.10136	11.4
147.04370	2.1
147.08032	4.5
147.11691	13.9
149.09634	5.2
149.13278	8.0
151.11081	0.8
155.08577	1.6
157.10129	9.9
157.31731	0.7
159.07913	0.7
159.11691	7.5
161.13290	5.8
163.06094	5.2
163.11186	3.0
163.14825	2.9
165.12735	2.6
169.10139	1.7
171.11703	2.6
173.13240	6.3
175.11171	9.5
175.14824	2.8
177.12733	0.8
177.16339	1.3
177.22511	0.8
183.00035	0.7
183.11620	1.3
185.13297	1.3
187.11185	1.1
187.14783	2.8
189.09306	0.8
189.11234	4.0
189.12679	0.9
191.10648	1.3
193.12250	21.8
195.11755	0.9
197.13254	1.6
199.14827	1.3
201.16394	1.3
203.14311	1.0
205.12242	1.1
207.13841	0.7
211.13292	2.6
213.12762	0.9
219.17450	1.2
221.13039	0.6
223.13177	1.1
227.12759	9.7
233.15277	0.8
235.13257	3.3
243.21175	6.1
247.17039	1.0
249.14885	1.7
259.13260	1.5
259.20474	1.1
261.22150	15.1
267.15927	100.0
268.16043	0.9
273.14740	1.0
279.23126	0.9
285.22049	1.6
299.23734	1.5
301.14456	1.9
301.25214	6.6
303.23450	0.8
309.16989	4.7
315.23102	1.0
317.24734	3.4
319.15271	0.8
319.26599	0.8
333.17001	1.7
335.25815	77.6
336.26416	1.1
337.27551	0.9
341.25146	0.9
347.18637	0.8
359.25946	1.5
373.27469	0.9
375.17932	0.9
403.24905	1.0
417.31473	1.7
421.25961	3.4
425.34344	0.9
435.27353	4.1
435.32718	6.4
449.29114	1.7
453.33670	9.5
463.30743	0.9
471.34805	3.0
475.30524	1.7
498.76874	0.7
501.35803	0.9
509.36517	3.2
527.37354	77.8
528.37708	1.4
545.38397	95.5
546.38751	1.9
559.39966	2.6
569.38483	8.0
577.41156	3.9
587.39380	2.3
596.28027	0.8
611.39331	2.5
623.39459	3.3
635.39758	3.3
653.40594	2.8
671.41974	3.2
689.42578	1.1
707.54456	2.2
708.04254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	3.2
65.15353	0.6
67.05506	67.0
67.43526	0.5
69.03439	5.2
69.07067	17.3
71.04994	4.5
71.08633	2.1
71.12589	1.6
73.02924	3.6
77.03903	0.7
78.93308	0.7
79.05492	48.8
81.03418	98.8
81.07056	73.1
83.04980	8.5
83.08619	26.7
85.02904	9.7
85.06550	2.5
85.10188	1.1
87.04470	0.9
91.03959	7.1
91.05480	41.0
93.07044	57.3
95.04970	35.4
95.08607	59.1
97.02878	7.1
97.06528	6.3
97.10159	8.7
98.98457	1.1
99.04435	1.0
99.08096	2.2
103.05498	0.7
105.04539	1.1
105.07035	31.0
105.47852	0.6
107.04961	8.9
107.08595	32.9
109.02888	0.9
109.06520	6.9
109.10157	29.2
109.60372	0.7
111.04462	2.6
111.08080	7.9
113.09661	0.6
115.03922	1.0
115.05462	2.2
117.07012	9.6
119.04971	1.3
119.08584	34.1
121.06519	5.4
121.10143	32.2
123.04404	2.2
123.08071	3.5
123.11715	9.3
125.09612	6.7
127.03894	2.9
128.06215	1.0
129.05542	0.9
129.07008	12.8
129.07910	1.0
131.04985	0.7
131.08572	24.6
133.06496	3.8
133.10126	19.9
135.08054	2.6
135.11696	17.9
137.06062	0.5
137.09598	3.6
137.13246	2.3
139.11217	0.8
141.07004	1.0
142.07744	3.2
143.08546	3.6
145.04976	3.0
145.06465	1.0
145.10127	14.1
147.04388	1.7
147.08040	5.4
147.11696	17.2
149.05946	0.7
149.09647	7.2
149.13243	10.9
151.11203	0.8
155.01030	0.9
155.08542	1.9
157.06548	1.0
157.10139	14.1
159.08112	1.0
159.11702	9.6
161.09608	1.6
161.13243	6.4
163.06012	5.0
163.11215	3.7
163.14851	4.2
165.12720	3.0
169.10156	2.4
171.11700	2.8
173.09612	1.3
173.13281	7.2
175.11206	11.4
175.14841	2.9
177.12733	1.8
177.16362	1.4
183.11765	1.7
185.13251	2.4
187.14827	4.9
189.09045	0.7
189.11220	3.1
189.12697	1.5
189.16383	1.4
193.12250	27.0
195.11719	1.1
197.13327	1.2
199.14882	1.3
201.16470	1.7
203.14497	0.8
205.12234	1.5
205.15811	0.8
207.13861	0.7
209.13181	0.8
211.13313	2.3
216.06335	0.8
216.97375	0.6
223.13138	1.0
227.12720	7.6
228.04216	0.6
235.13246	3.6
243.15788	0.7
243.21065	6.1
249.14838	2.1
249.18539	0.7
259.13379	2.5
259.20663	1.8
261.22156	24.7
265.14294	0.9
267.15912	93.6
268.16055	1.0
273.14886	2.1
279.23132	1.4
282.27908	2.1
283.23962	0.8
285.22162	1.1
299.23795	0.7
301.14307	1.8
301.25226	7.8
309.17078	4.3
313.27377	18.7
317.24768	3.8
329.21384	0.8
333.16931	1.3
333.24240	1.1
335.25800	100.0
336.26260	1.9
341.24664	0.8
357.24063	0.7
357.28076	1.0
359.25665	0.8
375.18170	1.0
393.23816	1.4
403.24960	1.3
417.31476	1.2
421.25885	3.2
435.27261	2.3
435.32645	4.1
436.28302	5.9
449.29181	1.2
453.33560	8.5
454.29303	5.2
461.28778	1.0
471.34937	5.0
475.30627	1.1
509.36386	1.8
523.92450	0.7
527.37329	77.8
528.37482	1.3
545.38385	86.4
546.38696	1.3
559.39966	2.1
569.38287	12.3
577.40851	1.5
587.39270	3.2
593.37976	0.8
611.39618	4.0
623.39209	3.4
635.39392	4.8
653.40430	3.7
671.41302	5.0
689.42383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05168	0.5
67.05507	6.3
69.03421	0.4
69.07068	4.7
69.67805	1.7
69.68226	0.6
71.04965	0.5
71.08631	12.7
75.04471	0.3
79.05477	1.2
80.27763	0.3
81.07056	8.5
83.08142	0.4
83.08615	4.8
85.02896	0.8
85.10184	7.8
89.06034	1.4
91.03946	0.5
91.05461	0.9
93.07037	1.1
95.08610	9.8
97.02876	1.0
97.10160	2.6
98.98460	3.9
99.08111	0.4
99.11700	0.5
101.05962	0.4
103.07582	1.0
105.07027	0.8
107.08602	0.7
109.10162	4.8
111.11678	0.6
113.00020	1.5
119.08582	0.7
121.10125	0.8
123.11710	2.2
125.09680	0.4
131.08618	0.4
133.10143	0.4
135.11696	0.3
137.13252	1.1
141.06938	0.3
143.08563	0.4
145.10127	0.5
145.12300	0.3
147.11700	0.3
149.13127	0.4
155.01033	1.8
157.10138	0.4
159.11702	0.4
165.16376	0.3
169.02588	1.6
171.11710	0.4
172.40555	0.3
173.02135	0.5
183.11676	0.6
195.11795	0.4
197.13380	0.3
200.18867	0.3
237.16452	0.4
239.23712	1.1
257.24695	1.6
263.23593	0.5
298.27319	0.4
313.27359	100.0
314.27682	1.7
337.27380	6.1
378.42383	0.3
393.24048	0.5
449.26526	2.8
609.45129	4.2
629.78204	0.3
771.49829	1.1
933.55829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	4.5
69.07064	3.9
71.04977	0.3
71.08628	12.3
71.59766	0.2
72.50507	0.1
75.04469	0.3
79.05494	0.6
81.07054	6.4
83.04957	0.3
83.08617	4.7
83.09113	0.2
85.06557	0.3
85.10180	7.1
89.06027	1.2
91.05458	0.4
93.07033	0.9
95.04355	0.1
95.04964	0.1
95.08599	8.5
96.08923	0.1
97.06496	0.3
97.10172	2.2
98.98458	2.9
99.08083	0.2
99.11721	0.3
99.82898	0.1
101.05990	0.2
103.07594	0.9
105.07008	0.3
107.08567	0.5
109.10152	4.0
111.08092	0.2
111.11694	0.5
113.00011	1.3
116.99508	0.2
117.09106	0.2
119.08556	0.3
119.09367	0.1
121.10113	0.4
123.11710	2.0
125.13316	0.2
133.10080	0.2
135.11678	0.2
137.13225	0.7
147.11707	0.3
151.14780	0.2
155.01035	1.2
161.13225	0.2
163.03725	0.1
165.16397	0.2
169.02612	1.2
173.02069	0.4
179.17924	0.1
221.22620	0.3
239.23663	1.0
245.22472	0.2
247.05757	0.3
257.24731	1.8
263.23624	0.2
275.25928	0.2
298.27368	0.4
313.27341	100.0
314.27704	3.0
337.27347	6.5
338.27609	0.3
393.23846	0.4
449.26569	2.4
861.57153	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03596	0.1
65.03939	2.4
65.04279	0.2
67.05502	3.0
68.99781	0.6
69.03427	7.1
69.93908	0.3
71.01347	0.4
71.04987	0.5
73.02914	5.1
74.09717	0.1
79.05500	0.2
81.03417	3.2
83.01329	0.2
83.04977	11.0
85.02899	6.9
87.04459	1.3
87.92888	0.1
91.05477	3.4
91.86800	0.1
93.03403	5.6
95.01306	0.1
95.04967	2.6
97.02888	2.9
97.03516	0.2
97.06569	0.1
99.00812	3.0
99.04449	1.4
101.02383	0.2
101.06020	0.2
103.05489	0.2
105.03391	0.3
107.04952	1.7
109.02873	3.0
109.10098	0.1
111.00832	0.5
111.04436	16.9
113.02370	0.3
115.03903	0.5
115.05443	0.1
117.01860	0.8
117.05486	0.1
117.06985	0.1
119.04937	5.9
120.05701	0.2
121.02865	5.2
123.04434	0.2
125.02366	0.3
127.03911	6.5
129.05473	8.1
131.04936	0.2
133.02835	0.3
133.06445	0.1
133.10214	0.1
135.04416	0.1
137.02301	0.7
139.03897	10.5
140.04321	0.1
141.01849	0.3
141.06966	0.1
143.04921	0.2
144.05737	0.2
145.02850	0.1
145.04956	1.8
145.06439	0.6
147.04402	7.0
147.06458	0.4
148.04756	0.1
151.03911	0.2
152.06244	0.1
153.01819	2.8
157.04961	8.5
157.06415	0.4
161.02351	0.1
161.06003	0.2
163.03879	0.1
165.01842	1.5
165.05569	0.1
165.06952	0.1
167.08548	0.4
169.05161	0.1
169.06482	0.1
171.02884	0.2
171.04442	0.4
175.06020	9.0
177.05501	0.2
177.07034	0.2
181.06482	0.2
181.10083	0.1
183.02893	0.9
185.05978	0.3
185.09619	0.1
189.05472	0.2
191.08540	0.3
193.07117	0.4
194.07307	0.2
195.08081	0.6
197.06052	0.1
197.09624	0.1
198.07686	0.1
200.45331	0.1
201.03865	0.1
201.05559	0.1
203.07083	0.1
203.08704	0.1
207.02870	0.2
209.09691	0.4
211.07550	0.1
212.08350	0.4
213.05589	1.0
213.09081	3.5
217.04901	0.1
219.08015	0.5
221.09665	0.1
223.07526	0.4
225.03970	0.4
225.09070	0.1
227.05495	0.3
229.05019	0.1
231.06422	0.6
237.09119	2.2
239.10654	0.1
241.04979	0.6
243.04970	2.8
245.06709	0.2
247.07526	0.6
251.07243	0.1
255.04861	0.2
258.05222	1.0
259.06000	0.4
261.06131	0.3
265.08606	1.3
269.04443	0.3
269.07568	0.1
273.06049	4.9
283.09940	0.5
286.04639	0.3
287.05484	100.0
288.05768	0.9
291.07257	0.3
293.08063	1.3
299.05545	0.2
300.28580	0.1
301.09058	0.1
309.09808	0.1
311.05463	0.4
311.09079	0.6
315.07022	0.2
329.06543	1.8
329.10358	0.2
337.07074	0.1
345.07874	0.1
353.06354	0.2
353.10364	0.4
381.08130	0.2
395.07596	0.4
399.09363	0.6
417.10281	3.4
419.11426	0.1
435.11392	1.0
437.12195	0.2
455.13525	0.6
457.14865	0.4
485.14169	0.3
511.08597	0.1
611.17651	0.9
685.13190	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88986	0.1
65.03938	2.9
67.01842	0.1
67.05506	3.6
68.99779	0.7
69.03429	10.0
70.38254	0.5
71.01348	0.5
71.05000	0.8
73.02917	9.1
79.05481	0.2
81.03416	5.0
83.01358	0.2
83.04981	15.7
85.02905	11.1
87.00829	0.2
87.04470	1.6
91.05479	4.6
93.03405	9.3
95.04968	2.7
97.02273	0.3
97.02885	4.2
99.00816	3.2
99.04458	1.8
101.05994	0.2
103.03977	0.1
105.03437	0.2
107.04957	1.9
109.02879	4.4
111.00871	0.6
111.04442	24.0
112.04750	0.1
113.02357	0.3
113.31448	0.1
115.03909	0.7
117.01879	0.8
117.05508	0.3
119.04945	7.6
120.05740	0.2
121.02866	6.1
121.06405	0.1
123.11693	0.1
125.02396	0.3
127.03916	10.7
129.05478	12.2
131.04947	0.2
133.02858	0.3
135.04471	0.2
137.02361	0.5
139.03899	16.1
141.01816	0.4
142.08299	0.1
145.04953	3.1
145.06432	0.5
147.04416	3.7
147.06497	0.6
151.03934	0.2
153.01826	2.7
157.04964	15.0
161.06055	0.2
165.01869	1.3
165.07048	0.2
167.08540	0.6
169.06444	0.2
171.02945	0.1
171.04478	0.4
175.06021	15.9
177.05426	0.4
177.06970	0.3
183.02846	0.7
185.06015	0.3
189.05498	0.2
191.08647	0.3
193.07126	1.0
195.08075	0.7
197.04379	0.2
197.06071	0.2
203.05481	0.2
203.07195	0.2
207.02864	0.4
209.09628	0.2
212.08330	1.0
213.05682	1.1
213.09093	6.9
218.07266	0.2
219.08038	0.3
223.07561	0.4
225.03969	0.7
231.06572	0.6
236.08192	0.1
237.09111	1.4
241.04927	0.6
243.04984	4.8
247.07491	0.6
255.05051	0.2
258.05255	0.9
259.05981	0.3
261.06064	0.4
263.07101	0.2
265.08694	1.4
273.06033	5.0
283.08127	0.4
286.04474	0.2
287.05493	100.0
288.05765	1.2
291.07056	0.2
293.08069	1.6
299.05600	0.3
301.09265	0.7
311.05518	0.3
311.09094	0.7
315.07187	0.2
329.06570	2.1
337.06946	0.2
353.06375	0.3
353.10202	0.8
395.07486	0.4
399.09189	0.7
417.10358	2.7
435.11267	1.4
437.12427	0.2
455.13440	0.8
475.94421	0.2
485.14029	0.4
511.09067	0.2
583.41437	0.2
611.17517	2.6
788.34509	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.4
65.04238	0.2
67.05500	0.3
68.99481	0.1
68.99817	0.2
69.03432	0.9
71.04277	0.2
71.04612	0.1
71.04991	0.2
73.02916	0.3
74.11057	0.1
74.13319	0.1
79.05485	0.2
81.02971	0.2
81.03417	2.4
83.04975	0.4
85.02913	0.9
87.04505	0.1
91.05483	9.3
93.03387	0.2
95.04970	0.5
95.08618	0.1
97.02875	0.5
99.00842	0.2
99.04454	0.3
103.05484	0.2
105.03382	0.1
107.04942	0.3
109.02885	1.0
111.00804	0.4
111.04436	0.9
115.03949	0.1
119.04949	23.3
121.02866	1.6
123.98692	0.1
127.03922	0.9
129.05504	0.3
129.06996	0.1
131.04976	0.1
133.02847	0.4
137.02344	0.6
139.03886	0.6
145.05009	0.2
145.06445	0.1
147.04416	100.0
148.04750	0.5
150.77048	0.1
153.01837	2.2
156.39664	0.1
157.04962	0.5
157.06528	0.3
165.01855	1.1
165.05492	0.8
171.02823	0.1
171.04480	0.2
172.71114	0.1
175.06030	0.3
181.06479	0.1
183.02939	0.6
185.05978	0.4
189.05569	0.1
197.05991	0.2
203.07178	0.1
213.05460	1.0
213.09137	0.3
229.04817	0.1
231.06529	0.4
237.09016	0.2
238.48737	0.1
241.05014	0.5
243.04893	0.2
245.04572	0.1
258.05237	0.8
259.05966	0.3
265.08627	0.2
269.04410	0.1
270.05469	0.1
273.06055	0.4
287.05508	88.7
288.05902	0.7
291.08658	3.5
303.08691	0.4
305.98663	0.1
309.09732	3.4
321.09763	0.9
329.06689	1.2
339.10590	0.2
395.07574	0.2
417.10153	0.3
431.09415	0.2
455.13742	0.1
467.13370	2.3
724.78021	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	930.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	1.1
67.05500	4.4
69.03428	21.9
69.07072	4.6
71.01357	1.2
71.61547	1.1
71.61951	0.9
73.02920	8.1
75.04450	0.9
79.05482	3.0
81.03400	2.1
81.07057	11.8
83.01318	1.2
83.08624	6.9
85.02905	16.0
87.04469	8.0
91.05486	3.8
93.07047	9.2
95.01328	3.4
95.04974	1.6
95.08607	28.2
95.80628	0.8
97.02892	44.4
97.10172	1.2
99.04436	1.6
105.07029	11.9
107.04926	1.0
107.08598	21.6
108.61954	0.8
109.02891	1.4
109.10153	17.9
111.04440	2.4
111.08085	1.1
111.11729	1.1
115.03930	22.5
117.06996	1.2
118.11026	0.8
119.08584	27.2
121.10147	19.5
123.08050	1.2
123.11691	5.8
127.03913	2.1
131.08574	3.6
133.04959	10.5
133.10130	23.5
133.11089	1.9
135.04381	0.9
135.08116	1.0
135.11694	11.9
137.13243	2.4
139.03955	1.1
141.01833	22.1
141.78577	1.0
145.10117	10.1
147.11691	17.9
147.12810	1.8
149.13286	12.3
151.03873	1.1
151.14999	0.9
153.05557	1.1
153.09143	1.5
157.04977	3.4
157.10120	1.6
159.02945	2.7
159.11673	10.3
161.13261	13.3
163.03883	0.9
163.11122	1.4
163.14839	14.2
171.11658	2.1
173.13286	7.0
175.14833	16.5
177.03972	0.9
177.16396	23.3
179.10669	1.3
179.14224	1.2
181.04939	1.6
185.13284	1.7
187.14833	14.3
189.16382	37.3
190.16783	0.9
191.17946	8.6
191.85536	1.0
193.15904	1.3
197.13211	1.5
199.05995	1.3
199.14832	1.7
201.16371	31.7
201.18242	1.7
203.17961	51.3
204.18375	1.1
205.15865	8.7
205.19582	3.8
207.17441	11.0
211.05960	2.5
213.16399	4.4
215.17979	15.4
217.07100	1.5
217.19533	3.5
219.17490	3.0
221.15388	1.7
221.19061	2.4
225.16273	1.0
227.17989	2.3
229.07146	4.1
229.19551	4.1
231.17487	1.1
231.21191	1.2
235.16927	4.2
239.17981	1.2
241.19402	4.4
243.17815	1.0
243.21127	2.6
245.06581	1.3
245.19054	1.1
247.08205	2.8
247.16919	5.3
249.18533	9.6
253.19507	1.7
255.05125	1.6
255.21069	2.7
259.16891	2.2
261.18484	4.7
265.09155	7.2
267.21240	1.7
269.22702	1.2
273.06088	4.1
275.20087	1.4
281.22705	1.9
283.24136	2.0
291.07147	6.2
295.24228	1.1
309.08041	5.5
341.24930	1.3
379.21289	1.0
381.27945	1.1
391.33615	15.4
394.28964	0.9
405.18787	0.9
409.34653	46.4
409.40158	2.2
410.35260	1.1
411.32312	7.6
419.32932	1.4
427.35843	8.0
429.36508	0.9
437.34171	100.0
438.34433	2.2
439.35660	3.3
455.35205	47.7
456.35541	1.6
473.36255	5.9
480.14587	1.0
496.37698	1.9
567.36682	5.3
585.38184	1.7
595.36078	3.0
613.37280	7.6
631.38330	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.7
67.05500	2.3
69.03432	9.3
69.07066	1.4
70.63086	0.6
71.04992	3.1
71.59608	0.7
73.02895	0.7
78.35714	0.6
79.05493	3.7
81.03418	20.2
81.07053	6.3
83.01350	0.9
83.04974	1.9
83.08607	0.9
85.02926	3.9
89.31405	0.6
91.05475	8.9
93.07051	8.8
93.38118	0.6
95.04980	2.6
95.08607	6.2
97.02892	19.8
97.06547	1.2
99.04447	5.9
105.07032	14.1
107.04951	3.0
107.08601	15.2
109.02882	100.0
109.06508	6.7
109.10190	3.2
110.03202	1.0
111.03777	0.6
111.04442	3.5
111.08089	5.3
113.05996	0.6
115.03959	1.7
115.05430	1.0
117.07006	2.8
118.67793	0.6
119.04967	0.7
119.08584	32.0
121.06522	2.2
121.10149	11.4
123.04467	0.6
123.08069	11.3
123.11707	3.7
124.08863	1.1
125.09631	73.1
126.09998	0.8
127.03918	71.8
128.06204	0.8
129.05470	1.0
129.07027	1.3
131.08575	1.9
133.06480	1.7
133.10127	29.3
135.11670	4.6
137.05995	1.5
137.09612	3.9
139.07587	1.0
141.06874	0.7
143.08560	4.7
145.04985	10.1
145.06322	3.3
145.10132	2.4
146.07237	0.8
147.08051	15.5
147.11723	0.7
149.06065	1.1
149.09570	1.1
151.07578	1.8
151.11192	3.1
156.05756	0.9
157.10150	1.1
159.08089	1.4
159.11728	1.2
161.06013	1.1
161.09618	19.6
161.13341	0.8
163.03917	1.1
163.07494	1.2
163.11191	3.0
165.09117	21.2
167.07095	8.3
168.07199	0.7
171.08081	1.0
171.11687	0.7
173.06006	4.1
173.13310	1.0
175.07529	0.7
175.11282	1.2
177.09103	0.8
179.09111	1.1
179.10669	17.3
181.08580	0.8
185.13184	0.8
187.14854	1.3
189.09105	17.1
190.06279	3.0
203.07027	0.8
205.08623	5.3
207.10175	25.3
215.10710	0.6
217.08580	3.7
225.11208	38.6
226.11563	0.9
229.15901	1.4
239.18300	0.7
247.09601	1.5
249.11197	0.9
253.16051	0.8
265.10831	1.2
267.12228	4.1
269.08054	0.8
271.16919	1.6
285.18533	2.0
287.12781	1.2
289.18069	2.4
303.19644	2.2
313.18079	2.4
315.08820	1.3
315.12396	2.9
323.12631	0.8
330.11127	1.7
331.12119	1.0
331.19049	16.1
333.13348	7.5
349.20071	18.0
351.14502	9.8
367.21201	1.6
371.14941	1.9
383.14908	10.5
385.16644	1.3
391.21109	10.8
401.15997	9.2
411.21603	0.8
421.22198	3.1
427.86176	0.8
439.21173	1.8
457.22214	33.9
458.22800	0.8
471.34683	1.5
475.23303	29.7
476.23578	1.2
493.24216	5.4
834.36957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.1
66.52815	0.1
68.99784	1.0
69.03432	1.7
70.06589	0.5
71.01364	0.1
71.04959	0.1
71.59074	0.2
72.08137	0.1
73.02903	0.4
78.74285	0.1
81.03407	1.3
81.22791	0.1
85.02901	4.0
86.09650	0.1
87.04459	0.2
89.03883	0.3
91.03956	0.4
97.02897	1.8
98.77028	0.1
99.04462	0.2
107.01263	0.2
109.02876	0.8
111.00820	0.4
117.03374	0.2
118.21342	0.1
121.02876	0.8
123.04453	0.3
127.03904	1.5
127.89973	0.1
131.04939	0.1
135.04388	0.8
137.02344	14.3
137.03406	1.0
137.94753	0.1
145.02895	0.7
145.04933	0.7
147.04454	0.6
149.02359	0.6
149.05966	0.2
153.01825	12.2
154.02182	0.3
161.02359	0.5
163.03905	4.9
163.05980	0.3
165.01830	0.8
171.02902	0.7
171.04285	0.2
175.03944	0.4
177.01875	0.3
177.05479	0.3
179.03387	0.3
183.02852	0.3
187.03937	0.5
189.01900	0.3
189.05479	0.3
191.03479	0.2
195.02910	0.2
199.03885	0.3
201.05539	0.3
203.03409	2.0
205.04936	0.9
207.02933	1.2
211.04005	0.3
213.05521	0.2
215.03442	0.4
216.04227	0.3
217.04938	1.2
227.03384	0.7
228.04207	0.4
229.04970	1.0
231.02856	0.3
239.03351	0.2
241.05011	0.4
243.02917	0.4
245.04445	1.8
245.11414	0.2
251.07266	0.1
253.04814	0.2
255.02924	0.6
256.03763	0.4
257.04361	0.7
259.02570	0.1
259.05981	0.2
265.05307	0.3
265.08395	0.2
267.02878	0.2
267.06610	0.1
269.04446	0.6
271.02371	1.0
273.03873	2.7
274.04712	0.4
275.07126	0.1
277.05072	0.2
279.06528	0.3
280.07190	0.2
281.04520	0.3
283.02469	0.4
283.05923	0.3
284.03098	0.2
285.03818	1.1
287.02283	0.2
287.05618	0.4
291.06540	0.3
293.04517	0.3
294.05411	0.2
295.02570	0.2
295.05963	0.4
297.03928	2.6
298.04672	0.8
299.02066	0.2
299.05585	0.5
301.03351	1.7
302.04160	1.3
303.04880	3.9
305.04544	0.2
307.02814	0.2
307.05881	0.6
309.03879	0.3
311.05643	0.7
313.03391	1.6
315.05002	2.3
319.06027	0.8
321.03851	0.4
321.07346	0.1
322.04932	0.2
323.05518	0.4
325.03448	1.0
325.06708	0.1
331.06024	0.5
333.03973	0.3
335.05389	0.5
336.05872	0.1
337.03519	0.6
337.07095	0.3
339.04895	0.6
341.02884	0.2
341.06577	1.5
343.04276	0.8
345.03961	0.2
346.04791	0.3
347.05396	1.4
349.03503	0.1
349.07266	0.6
351.05029	0.6
353.06711	0.4
359.05487	0.3
361.03448	0.4
363.05054	0.5
365.06570	0.9
367.04288	0.6
369.02209	0.2
375.05081	0.6
377.02597	0.2
377.06592	0.9
379.04401	0.6
381.06247	0.4
385.07062	0.2
391.04532	0.6
392.05090	0.7
393.06012	1.0
395.07681	0.3
397.06079	0.1
403.03967	0.3
405.06168	0.5
407.04025	0.5
409.05789	0.5
410.06375	0.4
411.07181	0.4
413.06723	0.4
419.03513	0.2
421.05557	2.7
422.06311	0.2
423.07391	0.7
427.07483	0.2
431.07849	0.3
435.03223	0.4
437.05499	0.3
441.06174	0.4
445.05200	0.7
451.06689	0.7
453.04468	1.0
455.07501	0.2
459.06723	0.7
463.07098	0.2
465.04971	0.5
469.05627	0.5
473.08527	0.4
483.06805	0.6
487.06540	1.9
501.07892	1.0
511.06659	1.1
515.06079	0.5
519.09991	0.2
529.07635	2.3
539.05872	0.2
543.05597	0.2
547.08710	4.7
548.09503	0.2
557.06946	0.8
574.07495	0.5
575.08185	1.2
585.06647	0.4
603.07672	100.0
604.08008	3.2
627.07556	0.3
896.38025	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	927.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.2
68.99795	0.8
69.03428	1.6
70.98846	0.4
71.01339	0.2
73.02906	0.3
81.03414	1.4
83.49922	0.1
84.51868	0.1
85.02905	4.2
87.04481	0.1
89.03908	0.2
91.03951	0.8
97.02895	2.0
99.04427	0.2
107.04990	0.1
109.02872	0.8
109.45152	0.1
111.00813	0.5
114.56982	0.1
117.03395	0.3
121.02853	0.7
123.04427	0.4
127.03905	1.5
133.22012	0.1
135.04424	0.8
137.02341	13.5
137.03397	1.0
138.02719	0.2
139.51492	0.1
142.30042	0.1
145.02849	0.6
145.04962	0.5
147.04417	0.4
149.02330	0.7
153.01825	11.6
161.02382	0.6
163.03905	4.1
163.05211	0.2
165.01859	0.4
171.02908	0.4
175.03928	0.3
177.01869	0.4
177.05453	0.3
183.02924	0.2
187.03941	0.6
189.01866	0.4
189.05525	0.4
191.03326	0.2
195.02849	0.2
199.03923	0.3
200.04790	0.2
201.05484	0.2
203.03403	1.9
203.05162	0.2
205.04942	0.9
206.18660	0.1
207.02856	1.3
211.03972	0.2
216.04178	0.3
217.04951	1.0
219.02893	0.1
220.16025	0.1
223.07675	0.2
227.03398	0.7
228.04150	0.3
229.01514	0.1
229.04883	0.7
231.02969	0.2
235.09529	0.1
237.05618	0.1
239.03470	0.2
241.05072	0.1
243.02951	0.5
244.03688	0.3
245.04459	1.7
255.02823	0.8
256.03784	0.2
257.04456	0.6
259.02567	0.2
259.06195	0.3
263.06992	0.2
265.04898	0.3
266.05887	0.1
267.03024	0.3
267.06546	0.2
269.04517	0.6
271.02353	1.1
273.03876	2.5
274.04675	0.5
275.06995	0.2
278.89816	0.1
279.03485	0.1
279.06628	0.4
281.04538	0.4
283.02405	0.3
283.05893	0.3
284.03140	0.2
285.03879	1.1
287.05466	0.3
289.05185	0.2
291.06537	0.4
293.04501	0.3
295.02618	0.3
295.06125	0.4
297.03925	2.2
298.04730	0.9
299.02164	0.3
299.05569	0.4
301.03195	1.4
302.04178	1.3
303.04889	3.7
305.04602	0.5
307.06113	0.6
309.03931	0.5
311.05588	0.5
313.03329	1.3
315.04950	2.3
319.05875	0.7
321.03848	0.3
321.07599	0.3
323.05682	0.4
325.03506	0.7
327.05267	0.2
331.05969	0.4
333.03864	0.3
333.75742	0.1
335.05508	0.6
337.03430	0.6
337.07230	0.3
339.05188	0.6
341.03061	0.1
341.06613	1.4
343.04456	0.7
346.04565	0.2
347.05481	1.4
348.06018	0.2
349.07159	0.5
351.04984	0.7
353.06564	0.5
359.05688	0.3
361.03619	0.5
363.04916	0.7
365.06598	1.0
367.04681	0.3
369.02405	0.4
371.05820	0.2
375.04944	0.5
377.06540	0.8
379.04596	0.4
381.06189	0.4
385.06674	0.4
389.06653	0.2
391.04593	0.5
392.05273	0.5
393.02472	0.1
393.06223	1.2
395.07504	0.4
403.04425	0.4
405.06094	0.4
407.04037	0.4
409.05954	0.4
410.06390	0.5
411.07266	0.5
413.06647	0.2
417.06241	0.3
419.03726	0.3
421.05545	2.2
423.07175	0.8
427.07672	0.2
431.08124	0.2
433.05896	0.2
435.03079	0.3
437.05405	0.4
441.06119	0.3
445.05688	0.4
449.05154	0.2
451.06607	0.7
453.04507	1.0
455.07742	0.2
459.07101	0.6
463.06839	0.3
465.04810	0.3
467.06421	0.2
469.05646	0.5
473.08878	0.2
483.07132	0.4
487.06604	2.3
501.08041	1.2
505.07645	0.2
511.06558	1.4
515.06354	0.5
519.09381	0.1
529.07715	1.8
539.06097	0.3
543.05878	0.3
547.08655	4.6
557.07233	0.7
574.07495	0.5
575.08185	1.1
585.06567	0.4
603.07666	100.0
604.07959	3.5
627.07727	0.3
669.07837	0.2
700.21973	0.2
711.10034	0.2
774.78839	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05176	1.3
67.05508	19.1
69.06721	1.0
69.07070	12.8
70.09807	3.5
71.05000	0.9
79.05491	5.8
81.07058	24.1
83.08620	6.3
91.05487	3.6
93.07041	9.2
95.04929	0.8
95.08608	21.2
97.06515	1.1
97.10140	3.4
97.74126	0.7
98.06065	1.1
98.98465	6.5
99.08073	1.4
105.07029	2.7
107.08580	5.5
109.10152	9.2
111.08092	0.8
118.08665	3.1
119.08603	2.6
121.10123	5.0
123.08006	0.8
123.11724	3.6
124.01570	2.5
133.10115	3.0
135.11690	3.0
136.49886	0.6
137.13264	1.7
139.11192	0.7
142.02640	1.5
147.11690	1.6
149.13251	1.3
151.14806	0.9
155.01057	5.0
159.11685	0.7
161.13274	1.8
163.14816	0.9
173.02211	2.0
175.14853	1.1
177.16351	0.9
198.05302	2.3
216.06323	2.7
245.22623	2.2
263.23697	6.7
306.27869	12.8
319.26138	0.7
337.27362	100.0
338.27728	3.1
417.24017	4.0
460.28214	36.6
461.28644	1.5
478.29318	51.8
479.29578	1.3
489.49203	0.7
526.67798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.7
67.05510	13.4
68.99792	9.3
69.03427	13.5
69.07056	2.4
69.62453	2.5
69.62872	5.6
71.01337	1.4
71.04998	16.0
73.02916	2.4
77.03912	1.3
79.05498	11.2
81.02972	1.6
81.03419	18.0
81.07066	13.1
83.01377	1.0
83.04980	3.8
85.02907	20.3
85.06569	1.1
87.00827	4.1
91.05482	15.6
93.07049	21.6
95.04981	7.3
95.08612	13.7
97.02887	19.5
97.06523	3.4
99.04472	6.7
103.03935	1.8
103.05457	3.2
105.01886	5.8
105.03397	2.2
105.07033	25.6
107.04955	5.5
107.08598	27.4
109.02884	24.1
109.06531	9.0
109.10159	33.1
111.00814	1.1
111.04430	6.3
111.08072	2.6
113.06013	4.5
115.03943	1.9
115.05466	2.0
117.07038	6.3
119.04958	3.9
119.08586	39.5
121.02863	3.8
121.06487	11.7
121.10150	11.2
123.04432	26.1
123.08088	6.4
123.11691	3.6
125.06044	2.3
127.03921	46.7
128.06233	2.9
129.01814	1.9
129.07027	5.4
130.07806	1.1
131.08572	7.4
133.06506	7.5
133.10126	32.2
135.04425	1.5
135.08063	16.6
135.11707	6.8
137.06027	6.7
137.09665	5.3
139.03853	5.3
139.07561	2.3
141.07027	1.3
142.07805	2.4
143.08565	8.9
145.04951	6.7
145.06462	2.3
145.10143	8.0
147.04417	20.4
147.08060	26.9
147.11700	4.5
149.02364	3.6
149.05977	3.6
149.09618	7.1
151.03886	14.9
151.07529	8.4
151.11182	3.4
153.01869	1.3
153.05466	1.2
155.03418	3.3
155.07204	1.1
155.08543	2.9
156.09372	1.5
157.06479	4.5
157.10129	3.8
159.02910	4.8
159.08112	2.8
159.11723	4.2
161.05984	9.3
161.09634	22.4
163.03911	9.9
163.11198	8.8
165.05479	7.9
165.06885	2.0
165.09117	21.0
166.07819	2.7
169.04968	4.9
169.06276	1.2
169.10130	1.5
171.04436	2.4
171.08066	3.1
171.11687	4.4
173.06100	1.5
173.08112	5.4
173.09488	2.5
173.13211	1.1
175.03960	6.8
175.07573	13.4
175.11203	2.4
177.05482	4.4
179.03380	1.6
179.07066	20.1
179.10674	15.7
181.04929	1.7
181.10124	6.6
185.05959	2.0
185.09627	7.8
185.13252	1.6
187.03876	1.5
189.05470	25.9
189.07455	2.1
189.09088	17.3
189.12659	2.0
190.05779	1.1
191.03360	2.7
191.07039	2.4
191.10672	2.9
193.04982	26.5
193.08638	1.6
195.11594	1.6
197.08099	100.0
199.03911	1.4
199.07544	2.6
199.11169	18.1
203.07059	15.5
203.10719	2.6
205.04994	1.7
205.12202	2.0
207.06361	1.2
207.10168	21.0
213.05461	4.6
213.12735	1.7
215.07028	1.9
217.04976	86.3
217.08539	4.5
217.12254	8.6
218.05244	1.4
219.06573	2.6
219.13870	2.0
221.08087	65.5
225.09023	2.4
225.11218	42.9
225.13354	2.5
227.07079	1.4
229.05014	1.3
231.04886	3.0
233.08047	2.9
233.15402	1.2
235.06013	43.2
235.09750	4.1
235.13211	1.3
237.16548	1.6
239.09146	61.5
241.04993	10.9
241.08707	3.1
241.12273	1.5
245.04457	1.6
245.08200	6.5
249.05888	1.1
249.11237	3.5
253.07094	2.5
255.06531	2.9
255.17340	1.6
259.06088	10.2
259.09631	4.3
259.13284	1.2
263.09158	52.6
267.12286	28.3
269.08167	4.1
269.19101	2.1
273.18347	2.1
275.09149	1.6
279.17419	1.5
283.06046	6.8
283.09128	1.6
287.09161	28.9
287.20016	2.1
297.18454	5.6
301.07010	4.7
305.10226	22.5
307.05667	1.1
311.09143	2.1
315.19556	27.2
319.10272	1.8
323.11301	16.0
323.19559	1.1
325.07068	2.3
329.10242	5.6
331.18835	1.1
333.13416	1.8
333.20551	3.1
347.11206	1.5
351.14639	1.8
351.19046	1.3
357.20581	4.0
369.20642	2.5
371.11279	2.2
375.21582	10.4
387.07141	1.3
390.09030	1.2
405.20926	1.8
423.21643	3.8
435.23694	1.9
441.15524	3.5
441.22626	11.7
445.13379	6.9
459.23935	2.9
469.13367	4.5
535.14172	1.4
547.21637	1.5
549.24695	8.1
567.25897	3.6
619.28870	3.3
637.30017	4.0
655.31110	7.9
779.29962	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.1
67.05518	0.7
69.07067	3.2
71.08625	0.9
79.05504	0.7
81.07048	2.0
83.04979	29.1
83.08611	2.8
91.05485	3.8
93.07059	1.0
95.08618	1.6
97.10161	2.2
98.98467	1.3
100.07608	0.5
105.07014	3.0
107.08601	1.2
109.10130	0.8
111.11699	0.6
115.05433	1.1
117.07018	0.7
118.98053	0.5
119.08604	1.9
119.85757	0.6
121.10165	1.1
129.06985	1.2
131.08577	1.2
132.09404	0.8
133.10139	2.0
135.11688	1.3
141.06979	4.4
147.08098	1.0
147.11684	18.5
147.53130	0.6
151.01552	3.5
159.08051	3.6
161.13312	1.4
163.01573	2.2
169.07658	1.9
169.35783	0.6
175.01553	4.5
181.02586	1.0
189.16415	1.1
211.01506	0.8
212.97673	0.6
227.04636	4.0
239.04671	7.9
247.24295	1.1
260.99280	1.1
265.25238	1.1
268.97556	0.7
269.39941	0.5
282.27896	9.2
283.11069	1.3
295.11026	2.0
337.02338	47.5
338.02850	1.0
347.74585	0.6
352.24005	0.5
362.03339	0.5
369.95145	0.6
378.04916	1.8
393.08612	20.4
413.05536	2.1
469.11807	11.9
525.18036	21.3
526.18091	1.0
529.10785	0.6
581.24268	57.2
582.24536	2.0
637.30511	100.0
638.31299	4.0
737.69843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.5
67.05507	44.2
69.03427	3.5
69.07070	8.5
71.01337	1.5
71.04980	2.3
71.60275	0.6
73.02917	4.1
77.03922	1.0
79.05495	29.2
80.05814	0.7
81.03429	3.7
81.07059	51.7
82.07377	0.7
83.04971	2.9
83.08617	12.2
85.02904	15.0
85.06525	2.4
91.03963	7.3
91.04898	0.8
91.05483	32.2
93.07047	41.6
95.04977	6.5
95.08611	33.3
97.02894	9.6
97.06517	2.9
97.10149	2.8
99.00822	12.5
99.04458	1.8
99.08102	1.6
101.02385	0.7
103.05448	1.3
105.04517	0.6
105.07034	23.4
107.04952	4.4
107.08603	22.0
109.02877	7.9
109.06525	4.4
109.10157	16.8
111.04422	1.5
111.08080	4.4
113.06043	0.8
115.03907	2.1
117.07042	6.9
119.04984	1.0
119.08583	16.2
121.06521	6.4
121.10142	16.4
123.04474	1.0
123.08098	1.8
123.11702	5.8
127.03929	6.6
128.06213	1.6
129.06990	2.0
131.08577	11.3
133.06445	0.9
133.10138	40.2
134.15379	0.7
135.08020	1.9
135.11699	11.2
137.05975	1.3
137.09592	1.5
139.07520	2.3
139.11246	0.8
143.08559	4.7
145.04930	3.2
145.06516	1.2
145.10114	8.1
147.08022	2.3
147.11717	5.6
149.09607	2.1
149.13257	6.7
151.11183	10.9
153.09163	1.1
153.78337	0.6
155.08514	1.0
157.10143	1.3
159.08101	0.7
159.11673	5.6
161.09627	16.5
161.13255	4.2
163.06041	3.8
163.07202	0.6
163.11160	1.9
163.14810	2.7
165.09074	0.8
171.08061	4.3
171.11705	1.3
173.13258	4.3
175.14812	2.0
177.12903	0.7
177.16373	1.5
179.10655	8.5
180.08716	0.9
185.13203	0.9
187.14819	2.0
189.09109	6.6
189.10861	1.1
197.11723	2.7
207.10199	3.4
209.11778	0.8
225.11224	10.0
227.12766	0.9
233.22760	0.8
243.12340	2.9
243.21118	6.3
259.20615	1.0
261.22162	22.1
262.22534	0.9
273.14511	0.7
273.22183	1.4
277.21606	2.1
281.13907	3.2
283.15347	1.1
299.14902	100.0
300.15256	2.5
315.23257	4.0
317.24670	3.1
333.24240	1.6
335.25815	99.6
336.26212	3.2
421.31192	1.1
449.30554	2.3
457.33096	0.8
467.31519	5.1
485.32605	5.3
513.35773	4.4
515.37189	2.4
523.34375	2.0
531.36823	4.4
541.35260	25.2
542.35632	1.6
559.36316	77.1
560.36670	4.3
577.37225	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	918.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.5
67.05507	44.2
69.03427	3.5
69.07070	8.5
71.01337	1.5
71.04980	2.3
71.60275	0.6
73.02917	4.1
77.03922	1.0
79.05495	29.2
80.05814	0.7
81.03429	3.7
81.07059	51.7
82.07377	0.7
83.04971	2.9
83.08617	12.2
85.02904	15.0
85.06525	2.4
91.03963	7.3
91.04898	0.8
91.05483	32.2
93.07047	41.6
95.04977	6.5
95.08611	33.3
97.02894	9.6
97.06517	2.9
97.10149	2.8
99.00822	12.5
99.04458	1.8
99.08102	1.6
101.02385	0.7
103.05448	1.3
105.04517	0.6
105.07034	23.4
107.04952	4.4
107.08603	22.0
109.02877	7.9
109.06525	4.4
109.10157	16.8
111.04422	1.5
111.08080	4.4
113.06043	0.8
115.03907	2.1
117.07042	6.9
119.04984	1.0
119.08583	16.2
121.06521	6.4
121.10142	16.4
123.04474	1.0
123.08098	1.8
123.11702	5.8
127.03929	6.6
128.06213	1.6
129.06990	2.0
131.08577	11.3
133.06445	0.9
133.10138	40.2
134.15379	0.7
135.08020	1.9
135.11699	11.2
137.05975	1.3
137.09592	1.5
139.07520	2.3
139.11246	0.8
143.08559	4.7
145.04930	3.2
145.06516	1.2
145.10114	8.1
147.08022	2.3
147.11717	5.6
149.09607	2.1
149.13257	6.7
151.11183	10.9
153.09163	1.1
153.78337	0.6
155.08514	1.0
157.10143	1.3
159.08101	0.7
159.11673	5.6
161.09627	16.5
161.13255	4.2
163.06041	3.8
163.07202	0.6
163.11160	1.9
163.14810	2.7
165.09074	0.8
171.08061	4.3
171.11705	1.3
173.13258	4.3
175.14812	2.0
177.12903	0.7
177.16373	1.5
179.10655	8.5
180.08716	0.9
185.13203	0.9
187.14819	2.0
189.09109	6.6
189.10861	1.1
197.11723	2.7
207.10199	3.4
209.11778	0.8
225.11224	10.0
227.12766	0.9
233.22760	0.8
243.12340	2.9
243.21118	6.3
259.20615	1.0
261.22162	22.1
262.22534	0.9
273.14511	0.7
273.22183	1.4
277.21606	2.1
281.13907	3.2
283.15347	1.1
299.14902	100.0
300.15256	2.5
315.23257	4.0
317.24670	3.1
333.24240	1.6
335.25815	99.6
336.26212	3.2
421.31192	1.1
449.30554	2.3
457.33096	0.8
467.31519	5.1
485.32605	5.3
513.35773	4.4
515.37189	2.4
523.34375	2.0
531.36823	4.4
541.35260	25.2
542.35632	1.6
559.36316	77.1
560.36670	4.3
577.37225	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	914.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05179	0.8
67.05503	10.0
69.03397	1.8
69.07076	4.8
71.04967	1.2
71.08628	15.9
71.60892	1.1
72.84457	0.6
73.02894	1.3
79.05492	5.1
81.03417	43.7
81.07050	12.1
83.04937	1.7
83.08157	1.1
83.08618	17.7
85.02901	4.3
85.06499	0.7
85.09713	0.8
85.10181	10.2
89.05984	1.0
91.03926	2.7
91.05482	8.7
93.07043	3.5
93.32754	0.6
95.04377	0.7
95.04969	13.4
95.08061	0.7
95.08610	12.0
97.02863	2.7
97.06514	0.9
97.10167	4.0
99.11731	0.8
101.67269	0.6
103.07568	0.9
105.07030	6.3
107.04915	2.7
107.08566	2.5
107.09261	0.6
108.70742	0.5
109.06473	1.2
109.10148	7.2
111.08084	3.4
111.11665	0.9
117.06982	0.7
119.08579	6.0
121.06468	1.7
121.10088	2.2
123.04385	0.8
123.08036	1.1
123.11726	3.3
127.03903	1.4
129.07025	4.5
131.08575	4.1
133.06505	1.4
133.10100	2.4
137.13234	1.2
142.07790	0.8
145.04909	1.9
145.10118	1.3
147.04405	0.8
147.08031	1.4
147.11708	4.6
149.09607	2.2
157.10130	6.9
163.06013	2.0
163.11130	1.1
165.12764	0.8
175.11183	6.5
189.12801	0.7
193.12256	21.9
211.13260	1.2
235.13341	1.0
239.23659	2.7
249.14922	1.7
252.34200	0.6
257.24759	1.7
259.13382	1.4
267.15915	100.0
268.16318	1.8
273.15030	1.1
282.07785	0.6
301.14450	1.3
309.16965	3.4
313.27359	92.8
314.27744	2.2
319.15366	1.1
333.17041	0.9
505.38876	85.1
506.39322	2.7
523.39923	3.5
528.71399	0.7
547.39886	6.4
555.40863	1.1
565.41125	0.9
589.40375	1.2
601.40692	2.8
613.41040	1.6
631.42419	3.0
649.43604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.4
68.99797	1.2
69.03426	1.1
70.06549	0.3
71.01332	0.3
71.04993	12.6
71.10476	0.4
71.10829	0.3
73.02887	0.4
74.05209	0.2
75.04443	0.7
81.03392	0.8
83.04974	1.0
85.02905	16.7
87.04456	0.4
91.03928	0.2
92.02602	0.5
93.03365	0.9
95.01292	0.3
95.04929	0.3
97.02910	1.2
99.04431	0.5
103.05402	0.3
105.06995	0.3
109.02834	0.8
110.03671	0.3
111.00771	0.6
111.04379	0.6
115.05428	0.3
119.01266	0.2
119.04892	0.3
121.02862	1.5
121.06492	0.4
126.03113	0.4
127.03952	1.2
129.04622	0.3
129.05478	3.7
131.04999	0.3
133.02849	0.3
134.82918	0.2
137.02330	4.7
137.03386	0.5
137.05977	0.2
145.02904	0.2
145.04900	0.6
145.06523	0.2
147.04384	0.7
147.06540	1.3
149.02313	0.4
153.01828	14.7
161.05962	0.7
163.03850	0.9
165.01814	1.7
167.06978	0.5
171.02913	0.3
171.04407	0.6
173.05998	0.3
175.03894	0.4
177.05411	0.6
179.03427	1.7
183.02863	0.6
183.04332	0.2
189.05424	1.0
191.03351	0.4
192.15088	0.2
193.01358	0.6
195.02872	0.8
199.03888	0.3
200.04662	0.8
201.05400	1.4
203.03401	1.2
204.04152	0.3
209.07933	0.3
213.05516	0.3
217.04962	9.0
218.05618	0.4
219.02837	0.7
227.03381	1.4
228.04211	2.2
229.04950	5.1
230.92613	0.2
231.02847	0.9
239.03442	0.5
245.04453	10.5
246.05092	1.2
247.05966	0.8
255.02972	1.4
256.03632	0.8
257.04468	3.8
258.05237	0.5
260.03305	0.3
267.02936	0.4
269.04471	1.3
273.03931	55.3
274.04620	4.3
275.05402	0.5
284.03186	0.4
285.03946	5.5
286.04486	0.3
287.05341	0.3
301.03421	14.8
302.04211	28.2
303.04980	60.3
304.05261	1.7
313.03412	26.4
314.03897	1.0
315.05109	0.3
325.54019	0.2
331.06091	0.4
359.05301	0.4
363.04828	0.2
370.99258	0.2
377.06519	1.1
387.04883	0.7
397.69885	0.2
405.06076	1.9
420.66803	0.2
421.05841	1.0
433.05515	0.9
445.05444	0.2
449.04919	0.2
451.06628	0.7
457.21973	0.2
493.04062	0.4
511.06973	0.4
539.06171	0.4
557.06885	1.1
567.04987	0.4
585.06641	7.3
586.06830	0.2
603.07684	100.0
604.08026	4.8
645.08759	0.8
870.26782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.2
67.05501	2.6
69.03426	3.7
69.07067	0.7
70.64778	0.5
70.65175	0.5
71.01360	0.6
71.05000	0.7
73.02917	4.3
79.05496	2.1
81.03408	2.1
81.07059	2.8
83.04456	0.2
83.04926	0.4
83.08618	0.6
85.02907	6.0
86.09709	0.3
87.04472	0.6
91.03957	3.9
91.05468	1.7
93.07043	2.4
95.04991	0.7
95.08599	2.3
97.02889	6.5
97.10181	0.4
99.04446	1.0
103.03936	0.4
105.07058	0.9
107.08591	1.4
109.02893	1.0
109.06558	0.2
109.10155	1.2
111.08065	0.3
115.03872	0.4
117.07023	0.4
117.33993	0.2
119.08595	0.8
121.10133	1.3
123.11774	0.3
127.03919	1.7
131.08635	0.7
133.10164	0.9
135.11736	0.6
145.04942	0.5
147.11728	0.4
149.13257	0.3
159.11778	0.2
163.14929	0.2
174.68309	0.2
175.11247	0.4
175.14790	0.2
185.04333	0.8
193.12180	0.5
203.05327	0.8
208.15193	0.2
210.07191	0.2
213.65758	0.2
243.08446	1.6
251.12587	1.0
261.22079	0.5
269.12469	0.4
289.09589	0.3
307.15433	0.5
323.96475	0.2
335.25986	0.6
347.09427	2.5
347.97397	0.2
363.09323	0.3
365.10519	1.1
391.90268	0.2
405.13651	6.5
465.22882	0.2
469.20502	4.3
492.41034	0.2
519.29315	5.8
631.25635	3.5
681.34576	7.2
747.42688	1.7
838.10406	0.2
909.48151	100.0
910.48303	2.8
936.65417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.1
69.03424	3.2
69.07067	0.6
69.47563	3.1
71.01332	0.4
71.05006	1.1
73.02912	3.9
79.05484	1.9
81.03430	1.7
81.07059	2.2
83.04994	0.7
85.02905	5.8
87.04501	0.4
91.03944	3.1
91.05505	1.1
93.07044	2.4
95.04979	0.6
95.08636	1.3
97.02891	5.0
99.04465	0.5
101.02383	2.0
101.48575	0.3
105.07044	0.6
107.04961	0.4
107.08633	1.1
109.02891	0.7
109.10175	0.9
115.03925	0.7
117.07035	0.4
119.08607	0.8
120.80640	0.4
121.10177	0.8
126.32626	0.3
127.03916	2.1
131.08604	0.4
135.11716	0.9
145.10201	0.6
160.67447	0.4
163.11269	0.8
203.05403	0.6
209.11707	0.4
243.08496	1.5
283.15390	0.5
317.23566	0.4
335.25897	0.4
347.09677	2.2
351.15488	0.4
392.59378	0.4
405.13608	4.9
467.18802	6.6
519.29260	3.5
629.24121	5.1
681.34497	3.5
745.26038	0.4
745.40894	2.1
781.60858	0.4
889.62823	0.4
907.46552	100.0
908.46954	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	907.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02485	0.3
67.05504	2.5
69.03431	3.4
69.07073	0.7
70.97607	1.0
71.01356	0.5
71.04990	0.5
73.02923	3.1
76.87955	0.3
79.05499	1.8
81.03412	1.9
81.07063	2.7
83.04963	0.4
83.08608	0.6
85.02905	6.2
90.43346	0.3
91.03953	4.0
91.05499	1.4
93.07050	2.8
95.04984	0.7
95.08630	1.8
97.02899	5.8
97.06492	0.4
99.04485	0.7
101.02385	1.9
103.03912	0.3
105.07046	0.7
107.04988	0.4
107.08601	1.3
109.02899	1.0
109.10181	0.7
110.46583	0.3
115.03930	0.4
117.07019	0.4
117.82009	0.3
119.08597	0.7
121.10167	1.3
126.78520	0.3
127.03937	1.7
131.08578	0.3
133.10062	0.3
135.11725	1.0
145.04973	0.7
145.10179	0.9
154.15842	0.3
163.11238	0.8
180.91972	0.3
182.04611	0.4
185.04285	0.9
203.05362	0.7
243.08441	1.7
249.11014	0.5
252.26579	0.3
284.15723	0.4
335.25919	0.8
337.27057	0.4
347.09451	1.8
350.82349	0.3
365.10666	0.8
405.13690	5.2
467.18784	3.6
519.29230	4.9
529.55817	0.4
548.40674	1.0
629.23993	2.6
681.34583	6.1
693.36346	0.4
745.41406	1.1
907.46588	100.0
908.46759	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	904.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.0
67.05502	40.3
69.03429	4.9
69.07069	10.6
69.07445	0.5
70.24230	0.5
70.24644	0.9
71.04993	4.6
72.26762	0.3
73.02913	3.2
73.06586	0.3
74.31268	0.2
77.03904	0.5
79.05491	33.3
80.05832	0.4
81.03416	45.4
81.07053	44.8
82.03748	0.3
83.04477	0.6
83.04980	12.6
83.08617	19.8
85.02902	29.3
85.06535	1.8
87.04456	0.6
91.03961	8.3
91.05477	30.3
93.07040	34.8
95.04966	21.8
95.08603	29.7
96.04459	0.3
96.81986	0.2
97.02887	8.6
97.03519	0.6
97.06519	4.3
97.10164	5.0
98.21484	0.4
99.04462	1.1
99.08096	1.4
102.11871	0.3
105.04559	0.7
105.07027	22.6
107.04948	5.0
107.05611	0.4
107.08591	17.9
109.02889	0.7
109.06523	4.7
109.10151	10.4
111.04446	1.8
111.08077	8.0
113.06023	2.0
115.03940	0.6
115.05447	1.1
116.06270	0.3
117.07014	4.1
119.04945	0.4
119.08576	18.9
121.06499	1.6
121.10141	17.1
123.08060	2.6
123.11697	4.3
125.09632	1.9
127.03920	3.1
127.07552	0.6
128.06244	0.4
129.05531	0.3
129.07005	8.3
131.08562	12.9
133.06496	2.2
133.10121	12.2
135.08095	0.9
135.11687	7.1
137.09651	1.7
137.13266	0.7
139.11223	0.3
141.07002	0.6
142.07751	2.1
143.08559	0.9
145.04974	3.1
145.10118	5.4
147.08038	2.8
147.11682	15.7
149.09613	5.6
149.13266	3.7
151.07567	0.3
151.11191	0.9
155.08531	0.8
157.10123	11.6
158.10417	0.3
159.11690	2.9
161.13225	3.0
163.06029	3.5
163.11189	1.2
163.14847	1.5
165.12746	2.8
169.10123	0.3
171.11713	0.9
173.13266	2.9
175.11182	12.8
175.14870	1.2
177.16389	0.6
180.08780	0.3
183.11758	0.8
185.13290	0.7
187.14793	1.7
189.11174	0.6
193.12239	34.1
199.14873	0.6
201.16479	0.6
211.13283	55.5
227.12807	1.1
243.21062	2.6
249.14767	0.4
261.22131	8.9
267.15903	12.2
269.17340	0.4
279.23169	0.3
283.15579	0.6
285.16956	70.1
286.17273	0.7
299.23575	0.4
301.25253	0.9
303.23331	0.4
311.20309	0.3
317.24738	1.8
335.25790	56.9
336.26160	0.7
372.84561	0.3
417.31668	0.6
421.26215	0.4
423.27625	0.3
435.32678	2.1
453.33704	2.1
471.35043	1.7
487.34335	0.3
509.36459	0.8
517.38776	0.4
527.29126	0.3
527.37323	14.7
545.38354	100.0
546.38550	1.8
550.36267	0.3
563.39191	1.0
689.41754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65352	0.4
65.03902	1.2
67.05505	24.4
69.03426	2.4
69.07068	5.7
71.04996	2.9
73.02924	1.9
75.03593	0.3
77.03934	0.4
79.05492	19.3
81.03416	24.6
81.07056	29.0
83.04980	5.7
83.08617	9.9
84.61664	0.3
85.02902	15.5
85.06518	1.0
91.03954	4.1
91.05479	18.1
93.07042	22.1
95.04967	12.2
95.08604	17.8
97.02888	4.8
97.06506	2.3
97.10168	2.4
101.05972	0.4
105.04517	0.4
105.07029	13.6
107.04345	0.4
107.04955	3.2
107.07881	0.6
107.08590	11.3
109.06516	1.9
109.10161	7.1
111.04403	1.1
111.08074	5.3
113.05946	1.2
115.05437	0.6
117.07018	2.4
119.08578	10.4
121.06471	0.7
121.09328	0.6
121.10140	10.4
123.08022	1.2
123.11705	3.0
125.09638	1.0
127.03923	1.7
129.06996	4.1
131.08572	8.4
133.06464	0.9
133.10129	7.6
135.08067	0.4
135.11685	5.1
137.09604	1.0
137.13176	0.5
142.07729	1.4
143.08514	0.8
145.04959	1.8
145.10103	3.9
146.20200	0.3
147.08002	1.6
147.11681	8.7
149.09610	2.6
149.13234	2.4
157.10129	7.1
159.11665	2.6
161.13263	1.9
163.06053	2.0
163.11198	0.5
163.14813	1.2
165.12791	2.0
171.11746	0.4
173.13240	2.1
175.11189	6.5
175.14726	0.6
181.61244	0.4
183.11642	0.4
183.38197	0.3
187.14841	1.1
189.11191	0.5
189.16397	0.5
193.12242	18.5
201.16280	0.6
211.13290	26.9
218.03719	0.4
219.17314	0.4
227.12761	0.6
243.21091	2.5
261.22116	7.9
267.15909	9.5
269.17270	0.3
285.16956	38.1
301.25247	0.7
317.24808	2.0
335.25800	57.3
336.26251	0.6
435.32733	1.5
453.33771	1.7
471.34616	0.8
509.36423	0.5
527.37323	13.9
545.38367	100.0
546.38666	1.5
563.39642	0.5
689.41846	0.7
863.46356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	0.9
67.05509	20.5
67.05865	0.7
69.03394	1.0
69.07072	6.7
69.93134	1.6
71.04964	1.3
73.02885	1.0
77.03883	0.3
79.05497	19.3
79.46669	0.3
80.05813	0.3
81.03406	1.5
81.07059	23.6
83.04994	1.7
83.08621	4.5
85.02907	2.2
85.06528	0.5
91.03955	1.5
91.05490	8.3
93.07049	26.1
95.04981	3.7
95.08610	28.4
97.02903	2.9
97.06523	2.3
97.10158	0.9
99.04464	1.6
99.08089	0.4
103.05424	0.4
105.07038	6.9
107.04368	0.3
107.04953	3.1
107.08598	19.0
109.06500	1.1
109.10160	7.4
111.04437	0.8
111.08054	0.9
117.07015	5.0
119.07789	0.5
119.08582	7.4
121.06499	2.5
121.10144	11.0
123.08047	0.6
123.11740	2.3
125.05947	1.0
125.09610	0.3
127.03864	0.4
129.06937	0.4
130.07765	0.7
131.08571	2.9
133.10121	3.5
134.56886	0.3
135.08061	1.0
135.11700	25.4
136.12027	0.6
137.13216	0.6
139.07513	1.1
143.08516	0.6
143.75978	0.3
145.10129	14.4
147.11700	1.9
149.13272	1.8
153.12773	0.4
159.11746	1.6
161.13239	1.1
163.06047	0.6
163.11192	29.0
163.14777	0.7
164.11504	0.4
173.09645	0.3
173.13219	1.1
175.14818	0.5
181.10751	0.4
181.12225	4.9
184.89627	0.4
209.11745	0.4
211.81264	0.3
219.17441	0.4
227.12790	35.5
228.13110	0.6
243.21152	1.6
261.22171	7.2
283.15417	54.6
284.15738	0.8
290.95847	0.3
301.10025	0.4
317.24725	1.8
335.25815	91.6
336.26205	2.4
423.38000	0.3
469.33139	0.4
543.36835	100.0
544.37140	3.7
561.38049	1.1
829.27063	0.4
851.19055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.4
67.05504	51.2
69.03434	4.2
69.07063	12.2
71.01325	0.8
71.04993	4.4
71.08618	1.0
71.58903	1.2
73.02921	6.1
79.05492	40.0
81.03421	12.4
81.07057	50.4
83.01341	6.4
83.04986	11.9
83.08627	13.4
85.02904	21.6
85.06549	2.1
91.03960	11.0
91.05480	24.6
92.05820	0.9
93.07043	52.6
95.04972	10.3
95.08606	38.8
95.09228	1.3
97.02895	11.6
97.06522	5.3
97.10175	4.7
99.04468	2.9
103.05473	1.3
105.07034	17.9
107.04959	7.1
107.08595	28.8
108.87621	0.8
109.06524	8.9
109.09437	1.4
109.10161	16.7
111.04452	2.1
111.08086	3.3
113.09650	1.1
113.24113	0.8
117.07018	12.2
119.08583	18.7
120.08971	0.9
121.06499	3.1
121.10146	23.9
123.08079	7.8
123.11700	6.2
125.09628	4.4
127.03907	3.7
129.06990	2.8
130.07803	1.4
131.08560	10.4
133.10139	8.9
135.08069	2.9
135.11700	22.5
136.06198	1.2
137.09621	2.4
143.08574	2.3
145.04938	5.4
145.06502	1.5
145.10121	20.4
147.08055	2.1
147.11714	6.1
149.09602	0.9
149.13254	7.7
151.11188	0.9
153.12738	3.1
155.08539	1.5
157.10162	1.7
159.11713	6.7
161.13257	5.2
163.06007	4.9
163.11176	21.5
163.14771	3.8
168.89755	0.8
171.11771	1.2
173.09639	2.9
173.11118	0.8
173.11821	1.0
173.13208	6.4
175.14886	1.4
177.16397	0.8
181.12268	3.0
183.11617	0.8
187.14842	2.4
189.11201	2.7
191.10666	2.5
193.12189	1.7
195.11650	0.8
201.16487	1.4
209.11697	5.1
211.13333	1.3
227.12773	11.6
241.19539	0.9
243.21069	5.5
259.20605	1.8
261.22147	18.7
262.22464	0.8
267.15912	2.5
273.21973	0.9
283.15399	92.2
285.16885	1.5
299.23862	6.1
309.13547	1.0
313.27359	1.2
314.27679	1.3
317.24792	5.2
333.24307	2.4
335.25803	85.9
336.26126	1.8
433.31039	1.9
451.32172	2.6
469.33151	3.0
515.37683	1.7
525.35754	9.4
530.88464	0.9
543.36829	100.0
544.36914	3.0
555.25641	0.9
561.37939	9.0
564.30951	1.1
634.50281	0.8
650.86432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95544	0.7
65.03936	1.9
67.05504	40.2
69.03424	3.0
69.07063	10.5
69.74444	5.5
71.04990	3.6
73.02915	4.1
79.05492	31.6
81.03403	8.6
81.07053	42.4
83.01333	7.1
83.04983	9.9
83.08613	14.0
85.02901	17.8
85.06565	1.7
91.03954	12.6
91.05476	21.3
91.06009	1.6
93.07038	39.9
95.04969	7.9
95.08601	31.5
97.02883	9.1
97.06509	4.3
97.10143	4.7
99.04456	3.0
99.08083	1.5
105.07024	15.9
107.04942	6.0
107.07864	1.4
107.08590	23.3
107.09298	1.7
109.02898	1.0
109.06522	5.9
109.10154	11.8
111.04453	2.5
111.08089	3.4
117.07014	10.0
119.08576	12.8
121.06497	3.1
121.10129	16.9
123.08062	9.0
123.11700	5.1
125.05993	1.0
125.09624	3.5
127.03910	4.1
129.06979	1.5
130.07796	1.6
131.08571	9.3
133.10118	9.3
135.08049	2.1
135.11690	17.5
137.09642	1.5
137.13254	1.3
143.08556	2.2
145.04935	4.3
145.10112	18.9
147.08044	2.4
147.11684	5.9
149.09619	1.4
149.13263	5.0
153.12735	2.1
155.08559	1.7
157.10181	1.2
159.11687	4.4
161.13303	3.5
163.06046	6.5
163.11162	21.4
163.14822	2.7
171.11655	2.0
173.09595	3.8
173.13263	4.5
175.14865	1.0
177.16434	1.1
181.12299	2.5
184.07384	0.8
185.13280	1.2
187.14781	1.0
189.11243	3.0
191.10664	2.8
193.12289	1.4
197.11107	0.8
197.13182	0.9
199.14738	1.3
201.16391	0.9
209.11684	5.4
211.13225	2.1
219.52452	1.0
227.12785	10.4
243.21062	5.0
244.92235	0.8
245.13902	1.1
259.20660	2.5
261.22128	13.7
267.15808	1.5
283.15384	100.0
284.15607	1.4
285.16943	1.2
299.23770	4.3
317.24753	3.8
330.31055	0.9
333.24335	2.2
335.25787	65.7
337.27356	1.3
415.29721	1.2
433.31024	2.0
451.32104	4.0
469.33105	3.7
487.34503	1.4
525.29462	0.9
525.35980	7.8
543.36774	62.8
544.37073	2.3
561.37897	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	897.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.7
67.05501	22.6
69.03425	0.3
69.07064	12.5
70.66071	0.4
71.04985	0.5
71.08628	0.8
73.06546	0.2
76.17606	0.1
79.05489	6.4
81.03451	0.2
81.07051	25.3
83.04980	0.8
83.08614	7.0
85.06538	0.7
85.10194	0.3
91.05475	4.0
93.07039	6.6
95.04984	0.7
95.08600	19.8
95.46817	0.2
96.08932	0.2
97.06534	1.5
97.10159	3.5
98.14789	0.1
99.08109	0.6
105.07018	3.2
107.08590	3.9
109.06531	0.4
109.10147	7.2
111.08081	0.9
111.11675	0.7
113.00009	29.4
119.08573	2.9
121.10143	3.1
123.08068	0.4
123.11698	3.2
125.09618	0.5
127.11220	0.2
128.56198	0.2
131.08577	0.3
133.10127	3.0
135.11687	1.8
137.09605	0.4
137.13240	1.3
139.11192	0.3
145.10005	0.2
147.11664	1.8
149.13257	0.9
151.11217	0.2
151.14825	0.6
154.02614	0.3
155.01036	0.2
161.13275	1.5
163.14780	0.9
165.12706	0.2
165.16362	0.4
169.02600	28.8
170.02908	0.2
175.14798	0.9
179.14415	0.2
179.18001	0.2
187.03665	2.9
189.16379	0.5
198.26958	0.2
225.30615	0.2
245.22650	2.3
263.23706	5.4
263.33698	0.2
278.69864	0.1
319.26425	0.2
337.27338	100.0
338.27625	2.1
431.25620	0.9
599.49847	0.3
648.65131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.8
67.05500	26.1
69.07062	6.8
71.04985	0.3
71.08611	0.4
71.59366	0.4
71.59773	0.3
75.04456	0.3
79.05486	13.8
81.07051	24.5
83.04958	0.6
83.08607	2.3
85.06509	1.0
91.05473	6.8
93.07040	16.8
95.04971	1.7
95.08601	20.5
97.06524	1.1
97.10141	1.0
98.21416	0.3
99.08082	0.6
99.45896	0.3
101.91550	0.2
105.04530	0.4
105.06367	0.5
105.07020	5.1
107.07858	0.5
107.08586	8.6
109.06487	1.1
109.10152	7.8
111.08082	0.7
113.00010	31.8
117.07022	1.4
119.08569	4.0
121.09303	0.5
121.10130	6.7
123.08041	0.7
123.11702	2.3
125.09636	0.5
131.01053	0.3
131.08566	3.1
133.10117	3.2
135.11679	4.6
137.13232	0.7
139.11116	0.3
143.08560	0.3
145.10127	2.6
147.11702	2.0
149.02350	0.3
149.09601	0.4
149.13242	2.2
154.02643	0.6
159.11685	1.6
161.13272	1.7
163.11182	0.5
163.14772	1.4
169.02602	17.4
173.13251	1.7
175.14848	0.7
177.12646	0.3
177.16331	0.6
179.14333	0.3
187.03648	4.0
187.14850	0.8
201.16309	0.4
206.01987	0.3
233.22563	0.6
243.21075	3.3
261.22104	6.9
317.24796	1.6
335.25775	100.0
336.26138	3.3
337.27365	0.4
386.22781	0.3
429.23883	0.3
569.51862	0.3
818.01074	0.3
893.49701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.0
67.05505	29.0
68.05827	0.3
69.07070	7.0
71.04994	0.9
71.48676	0.3
77.03895	0.3
79.05495	15.6
79.30505	0.2
81.03411	0.2
81.07056	27.8
82.07375	0.3
83.04971	0.8
83.08623	3.3
84.13954	0.2
85.06554	0.6
91.05480	8.0
93.07044	18.0
94.07359	0.2
95.04973	1.5
95.08607	22.7
96.08974	0.3
97.06530	1.0
97.10172	0.9
99.08111	0.4
105.07026	5.1
107.07863	0.4
107.08594	9.3
109.06516	0.8
109.10159	9.3
111.08097	0.6
111.11685	0.3
113.00018	32.0
113.09660	0.2
117.07018	1.9
117.95682	0.2
119.08587	4.0
120.95294	0.2
121.10144	7.0
123.08073	0.6
123.11717	2.8
125.09621	0.3
129.05547	0.2
129.07028	0.2
131.01089	0.3
131.08582	3.1
133.10141	3.4
135.11693	4.1
137.09636	0.4
137.13263	0.8
145.10120	2.3
145.38081	0.2
147.11674	2.1
149.09622	0.2
149.13268	2.4
151.14673	0.2
154.02686	0.3
159.11688	1.6
159.56360	0.2
161.13245	1.5
163.14850	1.4
165.12711	0.3
169.02611	15.1
173.13281	1.7
175.14819	0.7
177.12762	0.3
177.16362	0.4
179.14323	0.2
185.13193	0.2
187.03685	2.9
187.14856	0.8
191.14243	0.3
201.16411	0.3
205.15929	0.2
215.17915	0.2
233.22636	0.3
235.17076	0.2
243.21114	3.2
245.22762	0.2
261.22159	6.2
261.24838	0.4
277.21741	0.2
279.23093	0.2
317.24875	1.4
335.25800	100.0
336.26111	2.1
343.06143	0.2
429.24176	0.4
491.81876	0.2
493.94022	0.2
599.25403	0.2
866.24933	0.2
893.45758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78168	0.3
67.05537	0.3
71.05020	0.3
71.11873	0.4
71.12208	0.4
78.44141	0.3
88.67328	0.3
92.61515	0.3
109.10162	0.4
145.43190	0.3
201.27287	0.3
460.27469	0.3
516.10278	0.3
542.45398	0.3
805.60852	0.3
885.42377	100.0
886.42731	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	892.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.5
67.05504	17.5
69.03399	0.3
69.07068	12.1
70.06584	0.4
71.04996	0.7
71.08633	0.5
71.60226	0.3
71.60608	0.5
75.18646	0.3
79.05497	4.7
81.07056	20.2
81.41210	0.3
83.08619	6.1
85.06546	0.6
85.10138	0.4
86.09734	0.4
91.05483	3.4
93.06476	0.5
93.07040	6.4
95.08607	16.2
97.06521	1.4
97.10166	3.3
98.98466	0.6
99.08088	0.7
101.21577	0.3
105.07024	2.6
107.08602	3.4
109.09454	0.5
109.10159	6.3
111.08057	0.4
111.11731	0.6
119.08591	2.0
121.10170	2.3
123.11674	2.6
124.01603	0.3
125.09595	0.5
131.08588	0.4
133.10115	2.3
135.11670	1.8
137.09618	0.5
137.13240	0.7
147.11661	1.3
149.13239	1.0
151.14871	0.4
152.05646	0.9
154.94934	0.3
161.13278	0.8
163.14873	0.4
165.12532	0.3
175.14827	0.7
178.07204	1.3
180.22975	0.3
194.75600	0.3
196.59946	0.3
198.05177	0.5
208.59918	0.3
216.06371	0.6
222.09311	0.3
223.95174	0.3
245.22511	0.3
263.23804	1.0
306.27896	2.3
337.27365	100.0
338.27783	2.6
421.16629	0.3
460.27713	0.7
478.29309	6.8
556.59583	0.4
797.62207	0.4
866.00818	0.4
892.47791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03955	0.4
67.05505	11.6
69.03437	2.6
69.07067	6.2
70.90128	0.8
71.04999	1.9
71.08633	13.7
71.42081	0.3
73.02911	2.5
79.05494	9.5
81.03417	29.7
81.07057	17.2
83.04981	7.3
83.08618	16.4
83.09341	0.4
85.02905	19.7
85.06522	0.7
85.10184	9.1
87.04426	0.7
87.99658	0.3
89.06001	1.0
91.03409	0.4
91.03954	6.5
91.05479	13.6
93.06486	0.3
93.07044	7.8
95.04971	12.8
95.08606	14.9
97.02307	0.4
97.02892	6.0
97.06523	2.1
97.10175	5.5
99.04430	0.8
99.08066	0.5
99.11713	0.5
103.07567	0.6
105.07033	9.7
107.04948	2.8
107.08603	2.9
109.02860	0.6
109.06530	2.0
109.10159	5.3
111.04390	0.9
111.07378	0.3
111.08083	6.5
111.11703	0.7
113.05981	1.2
115.03902	0.5
115.05447	0.5
117.06987	0.5
119.04923	0.5
119.08580	9.9
121.06499	0.6
121.10139	4.7
123.08031	1.0
123.11696	2.5
125.05985	0.4
125.09613	0.9
127.03958	1.6
128.06168	0.4
129.07005	4.6
131.08572	4.9
133.06509	1.6
133.10132	5.5
137.09647	1.3
137.13229	1.1
142.07747	1.1
145.04962	2.5
145.10106	0.8
145.11961	0.3
147.08064	1.8
147.11688	8.6
149.09627	3.6
151.14810	0.4
155.12630	0.3
157.08801	0.3
157.10124	8.6
163.06009	3.4
163.11142	0.8
165.12749	2.1
175.11185	8.9
180.08676	0.3
190.82033	0.3
193.12244	25.1
194.74519	0.3
211.13293	38.5
212.13618	0.4
221.22841	0.3
239.23680	1.6
249.14873	0.4
257.24783	1.1
267.13022	0.5
267.15915	14.7
285.16965	57.1
286.17212	0.7
313.27359	59.2
314.27698	0.6
415.57794	0.3
429.20944	0.4
505.38919	13.4
522.56433	0.3
523.39954	100.0
524.40253	2.5
556.41125	0.3
667.44202	0.7
764.89288	0.3
770.57733	0.4
836.42871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.5
61.03216	0.2
65.03900	0.3
67.05505	8.2
67.28452	0.3
67.96940	0.2
69.03425	1.5
69.07071	4.4
69.68004	1.8
71.01333	0.6
71.04996	1.5
71.08633	13.3
73.02918	2.7
79.05496	7.9
81.03419	5.3
81.07059	12.5
82.07362	0.2
83.01337	4.2
83.04982	4.7
83.08619	9.3
85.02908	10.8
85.06510	0.8
85.10184	7.5
87.04438	0.3
89.06001	0.8
91.03960	6.5
91.05485	4.5
93.07043	9.7
95.04960	2.9
95.08610	11.0
96.04473	0.4
96.73077	0.2
97.02892	5.5
97.06543	2.3
97.10183	2.7
98.20755	0.5
99.04454	2.2
99.08056	0.7
99.11732	0.5
103.05447	0.3
103.07559	0.9
105.07034	3.2
107.04287	0.3
107.04959	3.4
107.07883	0.3
107.08598	5.7
109.02862	0.6
109.05798	0.3
109.06524	3.7
109.09468	0.3
109.10158	5.2
111.04446	1.4
111.08044	0.6
111.11693	0.4
112.10147	0.2
115.03888	0.4
117.06240	0.3
117.07018	3.4
117.09158	0.2
119.07795	0.3
119.08572	3.8
121.06496	1.7
121.10141	4.1
123.04443	0.4
123.08083	4.6
123.11710	2.1
125.05959	0.8
125.09586	0.7
125.13303	0.3
127.03902	2.7
129.05524	0.3
129.06984	0.6
130.07776	0.4
131.08580	1.4
133.10104	1.0
135.08029	1.0
135.11690	6.6
137.09570	0.8
137.13234	0.9
139.07556	0.4
143.08562	0.5
145.04964	3.0
145.06084	0.4
145.09048	0.5
145.10129	8.5
147.08040	0.9
149.09572	0.4
151.11099	0.3
151.14792	0.3
153.12761	1.4
155.08495	1.0
163.06020	4.0
163.11186	13.1
164.11575	0.2
173.09616	2.0
180.08635	0.5
181.12267	2.0
181.13596	0.4
191.10698	1.8
193.42763	0.2
199.96800	0.3
209.11731	4.0
217.10059	0.3
227.12776	2.2
239.23724	1.4
257.24765	1.7
283.15399	100.0
284.15720	1.4
313.27368	70.9
314.27637	1.7
521.38403	47.9
522.38879	1.4
718.12195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.6396
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.3
67.05508	18.3
69.03431	0.7
69.06719	1.0
69.07069	14.1
70.23010	0.6
71.04988	1.1
71.08627	1.6
71.60369	0.9
76.02003	0.6
79.05495	11.6
81.07061	31.4
83.04983	21.9
83.08618	8.1
85.06541	2.4
85.46195	0.7
91.05477	13.3
93.07050	28.2
95.04970	2.9
95.08610	59.7
97.02886	0.7
97.06539	3.9
97.10190	4.1
99.05831	0.7
99.08138	1.0
105.07035	33.7
107.08601	46.4
109.06531	3.1
109.10161	49.3
109.49193	0.6
110.10484	0.8
111.04461	8.4
111.08075	6.5
111.11733	1.5
112.55302	0.6
113.09628	1.7
117.07002	5.2
119.08584	53.9
120.08896	0.8
121.06510	2.1
121.10149	31.9
123.08084	3.6
123.11705	16.9
125.06010	1.2
125.09635	2.2
129.07011	2.5
130.07759	1.4
131.08571	14.2
133.06479	1.1
133.10133	49.2
135.08121	3.2
135.11693	28.5
136.12032	0.8
137.05934	1.0
137.09645	5.6
137.13249	3.4
139.07555	0.9
139.11157	1.3
141.06955	1.1
142.07780	1.5
143.08562	6.0
144.09343	1.3
145.10129	25.1
146.10910	0.9
147.08060	2.7
147.11691	33.9
149.09628	1.8
149.13257	11.0
151.11192	9.1
153.09113	1.2
153.12784	1.2
155.08589	2.6
156.09358	1.3
157.10143	9.6
159.08098	1.0
159.11700	29.1
160.12447	1.2
161.09625	2.3
161.13268	20.7
161.14604	1.3
163.11211	2.7
163.14833	15.4
165.09132	2.2
165.12740	1.6
167.10760	0.9
169.10182	4.6
170.10965	1.4
171.08032	0.7
171.11707	11.1
173.09726	1.9
173.13274	16.0
175.02835	1.3
175.11143	1.1
175.14839	11.6
177.12761	2.1
177.16391	5.7
179.10732	0.9
179.14214	4.0
181.12294	1.0
182.10930	1.1
183.11707	6.0
185.09634	1.8
185.13231	6.6
187.11264	3.2
187.14827	13.1
189.12735	0.9
189.16400	18.7
191.10735	1.4
191.14369	2.0
191.17978	10.3
193.03876	0.9
193.12260	1.2
193.15924	1.7
195.11688	1.3
197.09546	1.1
197.13243	6.0
199.11145	2.1
199.14864	5.6
201.09196	1.2
201.12692	1.6
201.16368	14.6
203.10727	1.5
203.14465	0.9
203.17970	21.2
205.12325	2.4
205.15909	15.3
205.19534	2.6
207.17448	23.4
209.13359	0.9
211.11169	1.8
211.14845	3.3
213.12755	1.5
213.16379	4.8
215.10735	1.2
215.14627	1.0
215.17978	19.9
217.12292	2.0
217.15924	2.8
217.19460	4.2
219.13954	1.4
219.17468	9.5
221.18997	7.6
223.14919	1.1
225.12807	2.1
225.16441	1.7
227.17969	3.1
229.12265	3.6
229.15840	1.2
229.19466	5.8
231.13882	1.3
231.17474	2.4
233.15482	1.0
233.19005	23.9
237.16513	0.9
239.14413	3.4
239.17982	5.5
241.15901	1.0
241.19534	1.3
243.13866	3.7
243.21085	3.5
245.15591	1.1
245.19099	0.9
247.20627	2.7
253.19551	3.8
255.21138	4.9
257.15427	3.0
257.19040	3.0
259.17032	5.8
261.22180	2.2
263.17944	1.3
269.22647	2.4
271.20639	3.2
271.24280	1.5
273.19131	0.7
273.22098	4.1
275.20068	4.8
275.23032	0.8
281.19006	7.7
283.24271	1.6
287.23813	1.9
289.21799	2.1
289.25073	0.9
297.26080	0.8
299.20071	56.0
300.20471	1.0
301.25235	1.5
309.25848	1.7
313.25360	0.9
315.26846	0.9
317.21127	87.3
318.21466	2.3
327.26865	2.2
335.21997	0.9
341.28476	0.9
393.35681	0.7
395.36960	0.8
405.35251	7.0
411.36230	1.7
417.26254	1.3
423.36249	63.9
424.36755	1.3
441.37296	100.0
442.37558	2.3
875.46790	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	875.6396
Annotation	Unknow
Peak:m/z	Relative Intensity
66.97446	1.5
67.05507	20.5
69.07065	16.7
69.47998	5.8
69.48434	6.4
71.04974	1.9
79.05496	12.0
81.07064	29.3
81.41751	1.6
83.04999	20.3
83.08624	7.5
85.06540	4.0
90.35185	1.5
91.05485	15.8
93.07052	24.8
95.04986	2.7
95.08608	55.6
97.02856	2.0
97.06532	5.3
97.10153	5.5
103.05418	1.9
105.07034	30.9
107.04994	1.5
107.08596	42.5
109.06493	3.3
109.09467	3.1
109.10161	42.0
110.10505	1.6
111.04427	5.0
111.08067	6.1
117.07014	4.8
119.08585	57.7
121.06506	1.5
121.10158	33.1
123.08020	1.6
123.11713	19.0
129.06999	1.8
131.08580	12.1
133.10144	42.1
135.08051	3.1
135.11696	29.0
137.09613	3.9
137.13260	3.0
143.08556	5.0
145.10126	24.2
147.08061	2.2
147.11693	27.1
149.09581	1.7
149.13245	10.7
151.11189	8.3
155.08553	3.4
156.09239	1.7
157.10133	11.8
159.11697	29.2
160.12308	1.6
161.13249	17.4
163.14827	14.5
165.12790	2.1
169.10121	4.2
171.11684	6.4
173.13283	13.2
175.11180	2.2
175.14828	10.6
177.12793	2.1
177.16367	7.5
179.14256	3.3
183.11684	5.5
185.13268	6.4
187.11200	1.8
187.14864	9.7
189.16409	16.8
191.17964	13.1
193.12117	1.6
197.13315	4.1
199.14818	5.3
201.16437	13.3
203.17972	23.2
205.15901	8.0
205.19514	4.1
207.17456	13.1
211.14844	2.9
213.16342	4.9
215.17944	18.7
217.15962	2.5
217.19490	7.1
219.17426	20.3
221.18974	8.8
227.76161	1.5
229.12265	1.8
229.19531	3.4
231.17529	1.9
233.19028	36.8
239.17865	4.1
243.21062	4.1
253.19432	3.9
255.21164	1.9
257.19037	3.4
257.22626	2.8
259.17178	1.7
271.20520	2.0
275.20023	5.2
280.96729	1.8
281.19009	5.1
287.23584	1.8
299.20111	33.5
299.23370	2.0
317.21133	66.4
393.34946	2.3
405.35269	10.3
423.36221	100.0
424.36340	5.2
441.37305	94.0
442.37384	3.2
613.72961	1.7
875.44952	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	870.427
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02006	1.8
65.03933	2.3
67.05503	16.3
69.03423	11.2
69.07041	3.9
71.04992	3.4
79.05483	16.9
81.03420	16.9
81.07058	15.0
83.01379	1.5
83.04961	4.8
84.50578	1.7
85.02887	2.3
91.05481	29.4
93.07039	30.2
93.81064	1.6
95.04980	7.8
95.08605	20.1
97.02885	24.2
97.06509	5.2
99.04447	4.5
103.05463	48.7
105.03368	3.0
105.07027	58.4
107.04916	8.0
107.08592	32.8
109.02880	29.9
109.06528	11.1
109.10147	33.9
111.04425	17.9
111.08076	3.9
115.05437	5.7
117.07005	6.9
118.08629	1.9
119.04962	9.7
119.08573	49.4
121.02837	4.1
121.06503	7.2
121.10133	14.9
123.04439	6.6
123.08070	9.6
123.11704	5.4
125.06017	2.2
127.03906	53.8
128.06215	2.8
129.07005	9.7
129.07782	1.5
131.04924	100.0
131.08563	9.8
133.02859	11.8
133.06494	29.6
133.10129	44.3
135.04420	2.1
135.08041	22.3
135.11670	6.0
137.05968	27.3
137.09613	10.0
141.07021	1.6
142.07739	3.5
143.06041	2.4
143.08556	13.0
145.05016	2.7
145.06458	4.6
145.10094	11.3
146.07256	3.5
147.04399	5.3
147.08046	26.0
147.11678	5.4
149.06108	2.3
149.09639	8.7
151.07529	2.7
151.11169	6.4
157.06529	4.1
157.10150	8.8
158.07237	1.9
159.08087	5.9
159.11743	7.9
161.05977	50.3
161.09602	30.8
161.13298	3.2
162.06828	2.7
163.03903	11.2
163.07533	37.0
163.11185	14.6
165.05499	3.2
165.06943	2.6
165.09096	24.8
166.07788	4.6
169.10068	4.0
171.08014	4.9
171.11722	8.5
173.09654	3.7
173.13155	2.6
175.07549	11.8
175.11148	5.0
179.07022	3.1
179.10655	20.7
181.10118	8.7
183.11678	2.3
184.07364	3.5
184.08853	1.9
185.09619	13.2
185.13232	3.9
187.07486	7.7
187.11153	4.0
187.14810	2.8
189.09111	22.6
189.12727	2.2
191.07034	3.0
191.10654	4.6
195.11728	2.2
197.09569	2.6
197.13322	1.9
199.11180	31.9
199.14818	2.7
201.09137	1.7
201.12712	1.8
203.07040	3.0
203.10626	3.1
205.08556	2.7
207.10170	23.9
211.14847	2.1
213.12764	3.4
215.06949	2.6
217.08643	2.6
217.12192	18.4
219.13777	1.8
223.11214	2.7
225.11197	77.2
229.44673	2.0
233.08012	7.9
235.13292	7.5
257.08102	6.7
267.12329	8.8
269.19037	2.4
275.09204	2.5
277.14398	2.3
291.09976	8.1
297.18652	7.8
309.39020	1.8
311.12738	6.7
313.18118	3.0
315.19571	33.2
323.12741	6.9
331.19031	4.2
333.13300	6.9
333.20609	6.3
341.13794	5.8
351.14322	7.0
351.18854	2.4
357.20685	8.4
369.20663	6.4
405.20486	2.5
423.21533	11.7
441.22708	33.2
459.23752	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	869.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60245	1.1
81.03438	1.1
81.07042	0.8
85.06543	6.3
95.08651	0.8
96.91397	0.6
97.02926	0.9
105.63182	0.7
109.02905	3.0
125.05814	1.1
127.03943	2.0
130.63416	0.6
149.02237	1.0
173.79141	0.7
174.12785	0.6
209.11568	1.0
211.09666	3.6
218.71458	0.6
251.08929	18.3
251.11345	1.1
335.14871	1.6
381.71613	0.9
437.21899	1.7
455.22580	6.9
809.43842	0.8
869.45038	100.0
870.45544	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	867.2373
Annotation	Ormocarpin
Peak:m/z	Relative Intensity
69.32793	2.4
69.33215	1.4
94.93047	0.8
96.92789	0.4
104.09427	0.4
112.89622	0.5
116.98640	0.5
128.98682	0.5
146.99673	0.6
156.04280	1.7
170.99721	1.1
177.00757	0.7
178.75169	0.4
189.00757	1.1
212.85205	0.9
219.01814	0.7
261.02701	0.6
291.03873	0.8
292.60318	0.5
363.07080	1.7
381.08060	2.2
381.12216	0.5
399.07971	0.6
453.09583	0.8
525.04999	0.7
525.11859	3.0
543.13110	5.7
687.17419	5.1
705.18591	6.6
749.31348	0.5
761.89337	0.5
867.23737	100.0
868.23920	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	864.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01865	0.9
69.61028	2.8
69.61449	2.7
75.40770	0.7
76.51897	0.7
81.03407	14.4
85.06538	76.1
98.21470	1.7
99.04433	1.4
109.02873	100.0
127.03910	22.4
159.64433	0.7
211.09645	84.7
219.96744	0.8
229.10689	1.8
293.85391	0.7
295.15393	33.5
296.56744	0.7
313.16406	12.1
376.16953	0.8
399.41132	0.8
415.23157	10.4
752.79675	0.9
758.39514	0.8
848.39587	0.8
864.48425	1.0
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	Unknow
Peak:m/z	Relative Intensity
69.03431	3.6
70.82527	1.5
72.20630	0.8
75.44746	0.8
82.23414	0.7
85.02908	4.6
97.02903	3.0
98.97575	11.4
98.98198	1.0
99.04467	1.2
110.97530	5.4
116.98609	9.6
123.35213	0.8
127.03909	5.0
128.98611	11.8
130.38390	0.7
131.00177	1.4
134.99678	5.1
145.04984	2.6
146.99661	10.6
147.00655	1.1
149.01236	2.5
158.99651	16.0
159.00835	1.3
161.01286	1.1
165.00729	2.2
165.03937	0.8
170.99655	22.2
173.01234	2.7
173.02925	1.0
174.04520	2.4
174.54681	0.9
177.00703	23.2
182.99802	1.2
185.03024	1.8
189.00717	50.7
191.02333	4.2
195.01865	2.7
200.02325	1.1
201.00706	17.5
203.04086	1.3
205.00122	0.9
207.01776	9.9
209.03120	1.0
212.02390	1.2
217.00323	1.3
219.01759	31.7
223.38014	0.9
225.00728	1.1
225.02869	1.1
227.04121	1.3
231.01735	7.3
233.03267	1.1
237.00514	1.0
237.02832	14.1
239.04095	1.5
242.03419	1.1
243.01917	1.6
245.05148	4.6
248.79077	0.9
249.02815	10.3
255.03934	2.1
255.07298	4.7
255.57297	1.4
260.04581	1.3
261.02798	10.2
269.04877	1.0
275.06329	1.6
279.03900	10.7
279.06473	1.0
285.02933	2.5
287.06213	1.3
291.03860	28.0
303.03931	2.7
309.05084	2.8
315.04190	1.1
321.04956	4.3
333.04861	1.1
336.09836	2.2
351.06015	1.3
363.06760	3.0
381.07104	21.7
399.08087	15.6
409.06586	5.4
422.10056	1.4
423.08115	2.3
441.09033	5.8
453.09192	14.8
471.10516	3.0
483.10263	7.3
513.11206	2.0
525.11810	4.9
543.12396	38.0
615.14569	1.2
687.17206	6.3
705.18073	11.4
867.23700	100.0
868.23639	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	863.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	0.6
65.03926	1.9
65.70161	0.5
67.05503	29.2
69.03410	0.5
69.06718	0.7
69.07067	7.6
70.49390	1.9
71.04977	0.9
71.08601	0.4
77.51868	0.4
79.05066	0.9
79.05494	14.2
81.03409	0.6
81.07055	28.0
82.07381	0.5
83.04978	7.6
83.08617	3.5
83.42468	0.5
85.06522	0.9
86.09689	1.5
91.05482	7.6
93.07040	20.1
95.04961	2.1
95.08606	23.7
97.06515	1.4
97.10168	0.9
99.08084	0.8
104.10712	0.5
105.07024	4.7
106.59053	0.5
107.08589	10.6
109.06494	0.9
109.09453	0.8
109.10155	10.3
109.10860	0.4
110.92643	0.5
111.08067	0.7
113.00014	30.0
114.83368	0.5
117.07034	2.2
119.08571	6.0
121.10139	9.0
123.08039	0.9
123.11714	3.6
124.45756	0.5
124.99979	1.2
129.07001	0.6
131.08563	4.5
133.10126	4.1
133.14618	0.5
135.08081	0.8
135.11671	5.6
137.09543	0.5
137.13245	0.9
145.10107	2.8
147.11667	2.8
149.13263	3.2
151.11186	0.6
154.02660	0.6
159.11687	2.8
161.13226	2.2
163.11203	0.6
163.14804	1.5
169.02612	15.1
171.11667	0.6
173.13245	1.6
175.14886	0.5
177.16379	0.8
184.07350	5.0
187.03656	4.1
187.14764	1.0
193.82491	0.5
199.14879	0.6
201.16266	0.7
243.21033	3.2
256.38480	0.4
261.22128	6.9
279.23233	0.6
299.20065	1.4
317.21063	2.7
317.24744	2.0
335.25793	100.0
336.26144	1.9
379.32465	0.6
417.30234	1.1
553.28693	0.5
862.48474	1.1
863.50281	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	863.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35987	0.2
63.11567	0.2
65.03931	0.8
67.05503	24.7
67.85529	0.2
69.03425	0.3
69.07067	6.2
71.04974	0.6
72.89768	0.2
74.76484	0.2
79.05491	11.7
81.03382	0.2
81.07055	23.3
83.04992	2.3
83.08618	3.0
85.06538	0.6
90.64928	0.2
91.05477	6.6
93.07040	16.1
95.04974	1.5
95.08602	19.5
97.06527	0.7
97.10159	1.1
99.08067	0.4
104.73167	0.2
105.07030	4.7
105.84308	0.2
107.08595	8.5
109.06522	0.8
109.10152	8.1
109.10921	0.3
111.04420	0.2
111.08056	0.4
111.11772	0.2
113.00013	26.8
113.09655	0.2
117.07037	1.7
119.07789	0.4
119.08577	4.7
121.10139	6.6
123.08067	0.6
123.11708	2.3
129.05463	0.4
129.07018	0.4
131.01027	0.3
131.08566	2.7
133.10118	3.2
135.08035	0.3
135.11688	4.5
137.09639	0.5
137.13243	0.8
139.11153	0.2
145.10126	2.2
147.11668	2.2
149.13254	2.4
151.11197	0.4
151.80991	0.2
157.10146	0.3
159.11694	2.1
161.13239	1.7
163.11125	0.2
163.14795	1.4
169.02605	13.1
171.11688	0.3
173.13264	1.6
175.14821	0.7
176.40970	0.2
177.12791	0.4
177.16371	0.6
181.12041	0.2
184.07310	0.5
187.03674	3.9
187.14821	1.2
188.17831	0.2
190.83034	0.2
197.13341	0.3
201.16394	0.4
229.49199	0.3
233.22656	0.3
243.21062	3.1
261.22131	7.3
279.23172	0.3
299.19928	0.7
299.23206	0.2
317.21075	2.0
317.24756	1.8
335.25784	100.0
336.26166	1.7
409.92877	0.2
417.29898	0.6
429.23944	0.3
622.60815	0.2
863.49677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	8.5
69.03438	10.4
69.07067	3.0
71.04995	1.1
77.27858	0.8
79.05511	7.1
81.03433	4.9
81.07061	10.6
83.04980	1.4
83.08630	1.2
85.02925	4.0
86.09715	1.0
91.05479	9.5
93.07047	14.7
94.58660	0.7
95.04968	2.9
95.08617	13.2
97.02898	11.1
97.06549	4.2
99.04462	1.0
101.34102	0.8
105.07035	17.4
105.07690	1.5
107.04963	2.2
107.08603	22.4
109.02896	11.8
109.06529	7.4
109.10162	32.6
111.04442	6.1
111.08083	3.2
115.05499	0.8
117.07028	3.5
119.04919	1.2
119.08588	37.8
121.05794	0.8
121.06514	5.3
121.10144	11.2
123.04428	1.2
123.08080	5.7
123.11716	4.1
125.06020	1.1
125.09616	0.9
127.03925	10.4
128.06227	1.6
131.04944	1.1
131.08577	5.0
133.06477	8.4
133.10132	28.8
135.08069	16.5
135.11731	4.9
137.05988	3.7
137.09598	3.6
137.13243	1.2
139.07545	2.5
143.08586	5.5
145.05006	0.9
145.06506	1.1
145.10139	7.6
147.08052	15.8
147.11688	2.2
149.09621	6.8
151.11186	4.1
155.08566	1.6
156.09296	1.0
157.10118	5.2
158.03751	0.9
159.08031	1.0
159.11699	7.0
161.09627	22.4
161.13240	2.0
163.07532	1.1
163.11221	4.4
165.09131	24.5
167.07085	1.2
169.10103	2.1
171.08043	1.5
171.11693	4.1
173.09607	1.4
173.13248	2.3
175.11218	1.3
179.10677	19.1
181.10117	0.9
181.12277	1.1
183.11760	1.3
184.12532	0.8
185.09639	1.7
185.13225	2.0
187.11186	2.0
187.14879	1.0
189.09119	17.5
191.10614	0.9
195.11777	1.5
197.13161	1.3
199.11153	1.3
199.14853	3.5
201.12769	1.4
203.10695	1.6
205.12344	1.2
207.08218	1.8
207.10176	34.0
209.13313	1.5
211.14777	1.7
213.12743	0.9
213.16386	1.8
217.12050	1.3
217.15985	1.0
219.13861	1.4
225.11229	100.0
237.12750	1.1
237.16315	1.4
241.12256	1.9
245.11639	1.2
251.17934	1.8
255.17468	3.0
266.13809	1.1
269.18912	2.3
273.18521	3.7
274.26849	0.8
279.17361	1.7
286.24432	0.9
287.16751	1.2
287.19992	6.6
291.12326	1.9
297.18466	12.7
315.19577	64.8
316.19901	1.3
333.13416	7.4
333.20590	13.6
369.15512	6.1
441.22586	1.2
459.23563	2.1
477.24884	36.8
518.27374	0.9
610.24414	1.0
674.95581	0.8
724.20081	0.9
846.33289	0.9
863.38507	1.9
875.36328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.8
67.05508	7.3
69.03432	7.5
69.07057	2.1
73.02907	0.8
77.03909	0.5
79.05503	5.2
81.03425	4.6
81.07060	9.1
83.04975	1.8
83.08617	1.4
85.02926	3.1
85.06498	0.6
86.09678	0.8
91.05479	7.7
93.07045	14.7
95.04951	2.1
95.08613	13.0
97.02898	11.2
97.06535	3.7
99.04447	1.2
105.07037	15.4
107.04948	1.7
107.07864	1.0
107.08598	22.2
109.02879	11.3
109.06524	6.8
109.10161	29.2
111.04455	5.5
111.08079	2.9
113.05990	0.8
117.07016	3.7
119.08585	32.1
120.08882	0.7
121.06521	5.6
121.09312	0.8
121.10142	10.3
123.04404	0.8
123.08083	5.5
123.11720	4.3
125.05993	1.5
127.03919	9.7
128.06219	0.8
129.07004	0.8
130.07692	0.7
131.08554	4.7
133.06503	9.5
133.07463	1.0
133.10133	27.2
135.08058	16.9
135.08803	0.3
135.11682	6.1
137.05972	2.5
137.09653	3.2
137.13258	0.9
139.07558	1.0
143.08577	4.3
145.06509	1.1
145.10124	7.4
147.08051	14.4
147.11671	2.3
149.08513	0.8
149.09608	6.4
149.13263	0.8
151.07555	0.7
151.11218	2.9
153.09039	1.1
155.08574	1.1
156.09528	0.7
157.10106	4.9
159.11678	5.5
161.09630	21.3
161.13274	1.6
163.07532	0.8
163.11206	4.6
165.09123	21.0
169.10086	1.8
170.10962	0.6
171.08035	0.9
171.11691	4.2
173.09608	1.5
173.13258	3.0
175.11159	1.9
177.09160	0.7
179.10677	18.1
181.10094	0.7
181.12259	1.3
182.10960	0.6
183.11710	1.8
184.07350	1.9
185.09641	2.2
185.13260	2.2
187.11218	2.6
187.14835	1.6
189.09109	18.2
189.16260	0.8
191.10713	0.7
195.11642	1.6
197.13255	2.1
199.11253	2.5
199.14830	3.0
201.12740	1.2
203.10820	1.2
205.12128	1.6
207.10175	34.0
209.11650	1.5
209.13322	1.8
211.14870	1.4
213.12755	1.1
217.12271	2.0
217.15816	0.8
219.13765	2.5
223.11224	0.9
223.14763	0.6
225.11221	100.0
226.11595	1.1
227.10822	0.8
227.14314	0.7
227.17989	1.4
231.08636	0.7
231.13757	0.7
235.14775	0.7
237.12743	0.9
237.16357	2.0
241.12222	1.7
241.19547	1.0
243.12303	1.0
245.15280	0.6
251.18022	2.5
255.13876	0.6
255.17390	2.7
266.13855	1.7
269.18991	2.9
273.18509	2.7
279.17300	1.5
287.16891	1.0
287.20023	6.3
291.12292	2.0
297.18515	12.3
298.18732	0.6
315.19568	69.0
316.19910	1.5
333.13419	5.8
333.20572	13.4
369.15503	7.0
441.23056	1.1
459.23599	1.7
477.24857	47.4
478.25113	1.2
624.76495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.2
67.05503	29.9
69.07062	7.8
69.83092	3.0
71.05000	1.3
79.05059	0.9
79.05495	14.3
81.07053	26.9
83.04978	0.8
83.08623	3.0
85.06534	1.1
85.68198	0.4
86.09720	2.4
91.05479	9.0
93.07041	18.9
95.04958	1.4
95.08604	21.1
97.06506	0.9
97.10130	1.3
98.20716	0.5
105.07032	5.6
107.08592	9.7
109.10159	10.3
111.08084	0.7
113.00014	31.6
117.07017	1.6
119.08567	4.9
121.10141	7.4
121.67018	0.5
123.11709	2.9
125.00017	1.2
130.10352	0.5
131.08554	3.6
133.10126	3.6
135.11700	4.8
137.04611	1.1
137.09697	0.5
137.13254	0.7
145.10133	3.1
147.11659	1.7
148.65265	0.5
149.13235	3.1
155.08556	0.8
157.10158	1.0
158.70486	0.5
159.11649	3.0
161.13225	1.6
163.14821	1.0
169.01227	1.0
169.02611	15.3
171.11632	1.0
173.13196	1.2
174.38245	0.5
177.16479	0.6
184.07350	5.4
187.03647	4.5
187.14825	1.2
208.96423	0.5
211.14674	0.6
213.16360	0.6
243.21077	3.2
254.24551	0.5
255.17438	1.1
261.22134	7.8
315.19513	2.0
317.24750	1.3
335.25790	100.0
336.26141	2.6
381.46432	0.5
471.18036	0.6
715.12628	0.6
777.56213	0.6
850.67346	0.6
861.49603	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	860.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.7
67.05515	4.8
69.03429	11.6
69.07068	2.1
71.04998	1.0
71.32144	1.1
77.03907	0.8
79.05492	5.3
81.03423	5.6
81.07063	9.6
83.04975	1.3
83.08604	1.5
85.02910	3.7
85.06540	0.9
90.00085	0.7
91.05479	9.2
93.07050	13.7
95.04964	2.8
95.08605	15.9
97.02891	16.9
97.06535	1.1
99.04456	2.1
103.05491	1.1
105.07031	19.9
107.04984	1.2
107.08598	20.5
109.02892	10.2
109.06519	8.0
109.10164	8.5
110.07224	0.6
110.52498	0.6
111.04438	5.8
111.07365	0.8
111.08091	8.0
113.06020	1.2
117.06962	1.0
119.04895	1.0
119.08584	41.3
120.08873	0.8
121.06512	4.7
121.10147	25.9
123.04426	1.3
123.08074	18.0
123.11739	3.6
125.06031	1.5
125.09633	100.0
126.09961	1.5
127.03921	15.2
128.06209	1.1
129.07040	0.8
130.07816	0.6
131.08582	2.7
133.06500	3.7
133.10130	39.8
134.10471	0.8
135.08014	3.2
135.11685	5.4
137.05974	1.9
137.09616	6.1
139.07521	1.1
143.08569	5.6
145.06512	1.0
145.10112	4.4
146.07190	1.1
147.08055	20.7
147.11659	1.0
149.05937	1.4
149.09657	1.6
151.07545	5.6
151.11171	5.8
157.10138	2.5
159.11719	2.4
161.06012	0.9
161.08281	1.5
161.09627	28.8
161.13255	0.7
163.07539	1.7
163.11195	4.6
165.09122	32.0
167.10660	1.0
169.10187	1.4
171.08046	2.1
171.11702	2.1
173.09685	1.9
173.13269	2.4
175.11191	3.7
179.10680	25.9
181.10089	0.8
181.12263	1.1
183.11617	1.6
185.09741	0.8
185.13240	1.8
187.11160	1.3
187.14789	1.6
189.07368	1.1
189.09111	23.7
190.09488	0.9
191.10736	0.8
195.11754	1.1
199.14873	1.0
201.12756	1.4
203.10625	0.9
207.10165	40.6
211.11166	1.6
213.12897	1.0
215.10774	0.8
215.14287	0.9
217.12308	0.8
219.13832	1.0
225.11215	77.8
225.16206	2.0
226.11642	1.5
227.14453	1.5
229.12360	1.0
229.15811	3.0
243.17432	1.4
253.15897	2.3
266.14120	0.8
267.12601	0.7
267.17285	1.5
269.19107	0.9
271.16962	5.2
285.18451	3.7
289.17963	7.9
295.16885	2.7
303.19519	2.5
305.17642	0.6
313.18021	5.2
315.19421	0.9
331.19043	60.6
332.19330	2.1
333.13242	2.0
333.20493	1.0
349.20126	27.8
350.20615	0.8
351.14340	1.1
364.56714	0.6
367.21072	2.2
369.15665	3.6
372.21762	1.5
386.03909	0.7
415.21152	2.8
457.22247	5.0
475.23181	6.9
493.24353	95.1
494.24921	3.6
547.87964	0.7
601.76477	0.9
860.37994	1.2
871.21362	0.8
872.06042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18659	0.6
67.05515	4.9
69.03078	0.7
69.03431	10.0
69.07083	1.4
71.35194	0.7
71.35517	1.1
73.02920	1.0
79.05497	6.3
81.03419	7.3
81.07061	9.5
82.18249	0.7
83.04977	1.6
83.08601	1.3
85.02917	3.4
91.05482	8.7
93.06464	1.0
93.07045	15.5
95.04978	3.3
95.08609	13.7
97.02892	15.6
97.06509	1.7
99.04440	1.4
99.08136	0.6
105.07030	18.2
107.04948	1.9
107.08598	22.5
109.02882	12.1
109.06523	8.9
109.09453	1.0
109.10158	15.0
111.04454	6.0
111.08083	6.7
113.06030	1.0
113.56104	0.5
117.07011	2.3
119.08583	40.6
121.06518	6.4
121.10148	24.2
121.11031	1.4
123.04430	0.8
123.08079	13.6
123.11713	4.6
124.08869	0.8
125.06017	1.3
125.09634	74.1
127.03916	13.5
128.06218	1.1
129.07028	1.2
130.07788	0.8
131.08572	3.1
133.06546	4.0
133.10132	37.7
134.10483	0.7
135.08049	9.2
135.11688	5.4
137.05962	3.2
137.09641	5.1
139.07515	1.1
143.08546	6.1
145.06479	1.3
145.10132	5.5
147.04402	0.6
147.08044	19.3
147.11691	1.9
149.09648	3.7
149.13225	0.7
151.07593	3.9
151.11163	5.0
153.09109	0.6
155.08542	0.8
157.10104	2.6
159.08052	0.8
159.11693	4.0
161.09628	28.1
163.07504	1.3
163.11206	4.1
165.09117	27.7
165.10507	1.3
166.09468	0.9
167.10695	1.0
169.10004	1.2
171.08043	1.1
171.11667	2.8
173.09630	1.3
173.13257	2.3
175.07549	0.7
175.11197	3.3
175.14792	0.8
177.09024	0.8
179.10675	26.9
181.12198	1.6
183.11681	1.1
185.09578	1.4
185.13226	1.8
187.11166	1.8
187.14813	1.1
189.09106	22.1
189.16386	0.8
195.11668	0.8
197.13263	1.1
199.11172	1.4
199.14775	1.6
201.12782	1.4
203.10677	1.2
207.10164	42.0
208.10638	1.3
209.13245	1.4
211.14832	1.1
215.10707	1.3
215.14267	0.7
217.12244	1.5
219.13707	1.4
225.11220	100.0
226.11526	2.5
227.14359	1.1
229.15906	2.2
231.13722	1.2
235.14896	0.7
237.16541	0.8
241.19572	0.8
243.12219	1.0
243.17516	1.0
253.15833	1.7
255.17554	1.4
266.13766	0.7
267.17288	1.4
269.18958	1.9
271.16992	4.2
273.18527	0.9
285.18405	1.7
287.20062	2.1
289.18039	5.7
291.12198	1.5
295.16803	1.5
297.18579	3.7
303.19498	1.7
313.17999	3.2
315.19568	24.9
316.19785	1.3
331.19052	45.6
332.15695	0.7
332.19458	2.0
333.13351	4.7
333.20566	6.0
349.20117	21.5
350.20364	0.9
351.14413	1.3
367.21075	1.8
369.15503	6.2
372.21799	0.7
399.68518	0.8
415.21243	1.7
457.22375	3.5
475.23404	5.4
477.24905	13.9
493.24350	59.7
494.24692	2.3
721.03827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	4.2
69.03427	10.6
69.07078	2.3
71.60344	1.0
71.60773	1.4
71.73746	1.0
79.05498	5.9
81.03425	4.8
81.07063	7.9
83.04987	1.5
83.08640	1.3
85.02904	4.1
91.05482	8.7
93.03388	1.0
93.07047	18.5
93.25840	1.0
95.04943	2.5
95.08607	15.6
95.09170	1.6
97.02888	13.8
97.06536	1.8
99.04484	2.6
105.07032	19.9
107.04946	1.1
107.08604	21.0
109.02884	9.6
109.06524	8.0
109.10152	5.8
111.04475	2.9
111.08086	7.9
113.06040	1.0
117.07008	2.2
119.08585	42.7
121.06536	5.4
121.10146	26.8
123.04472	1.5
123.08070	15.2
123.11662	4.8
125.09629	100.0
126.10046	1.2
127.03927	13.2
131.08559	2.4
132.02248	0.9
133.06502	3.9
133.10135	38.8
135.08055	3.3
135.11725	6.1
137.05975	2.8
137.09622	6.0
139.07574	1.3
143.08525	5.9
145.10126	3.9
146.07317	1.4
147.08046	21.4
147.11703	2.3
149.06100	1.5
149.09636	1.2
151.07559	7.7
151.11220	5.0
157.10101	2.1
159.11720	1.9
161.09631	26.9
161.13252	1.3
163.07584	1.0
163.11200	4.8
165.09120	29.6
169.10149	2.0
170.10898	1.0
171.07993	1.4
171.11661	1.9
173.09604	1.3
173.13312	1.6
175.11215	3.4
179.10667	26.8
183.11798	1.2
185.13318	1.9
187.11201	2.2
187.14832	1.0
189.09113	25.1
191.10532	1.1
199.11282	1.1
203.10634	1.1
207.10165	44.7
211.11284	1.6
219.13821	0.9
225.11211	73.8
225.16077	1.9
226.11578	1.7
227.14479	1.5
229.15881	3.7
243.17615	1.7
253.15913	2.1
267.17526	2.2
271.16888	5.7
285.18451	3.1
289.18039	8.2
295.16971	2.2
303.19452	1.4
313.18015	6.3
315.19556	2.7
330.37280	0.9
331.19055	52.7
332.19647	1.1
349.20096	27.5
351.14478	1.8
367.21091	1.8
369.15393	4.3
372.21567	1.7
415.20978	2.2
433.21942	1.3
457.22495	5.4
475.23312	6.5
493.24353	88.9
494.24756	2.5
745.04608	1.0
860.38232	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.0
65.03945	4.5
67.05508	100.0
69.03426	3.0
69.07071	18.1
70.85406	4.2
71.05004	4.8
73.02892	2.1
75.22679	1.8
79.05499	45.6
81.03427	9.3
81.07059	62.2
83.04979	7.3
83.08630	15.0
85.02922	13.8
85.06572	3.9
87.04464	6.7
91.03954	3.0
91.05487	28.0
93.07049	41.5
95.04984	7.1
95.08607	41.8
97.02906	6.4
97.06545	5.6
97.10163	15.9
99.08110	2.9
103.27630	1.9
105.07037	14.5
107.08607	31.9
109.06544	4.2
109.10162	60.7
111.08089	3.7
117.07052	6.6
119.08590	13.6
121.10140	21.4
123.08041	3.3
123.11727	5.5
125.09634	14.4
129.06995	2.2
131.08595	9.7
132.17151	2.1
133.10129	6.7
135.11700	13.9
137.09645	3.0
145.10124	11.1
147.11667	4.9
149.13263	7.7
150.62981	2.1
153.12717	3.9
155.10707	2.7
159.11702	5.3
161.13255	3.4
163.11203	8.9
173.11760	16.8
173.13281	6.7
193.12434	2.4
199.13242	6.2
209.11755	4.3
220.32452	2.0
227.12837	9.1
229.14342	42.7
241.17914	2.1
243.21153	4.0
261.22137	15.3
267.15955	4.1
301.16461	14.5
317.24896	3.7
335.25806	76.7
399.23856	16.3
461.12146	2.1
477.35898	5.3
489.35773	17.8
543.36194	3.6
545.69293	2.2
561.37872	7.7
579.39020	3.6
659.45050	17.9
692.74561	2.1
738.80206	2.1
796.10461	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.7
65.03942	4.9
67.05505	82.5
69.03414	10.5
69.07070	49.7
70.23109	3.4
70.23504	3.8
71.05004	9.3
73.02924	2.7
79.05495	67.3
81.03425	16.0
81.07057	100.0
83.04971	17.7
83.08627	20.5
85.02921	6.5
85.06544	4.0
87.04456	1.6
91.05486	56.1
93.07046	78.2
95.04977	18.1
95.08609	46.9
97.02895	7.4
97.06532	21.8
97.10178	12.6
98.20904	2.1
99.04457	2.6
99.08092	2.8
103.05477	2.9
105.04546	1.7
105.07033	54.8
107.04968	12.6
107.08598	54.2
109.06500	8.4
109.10156	22.9
111.08105	9.5
113.09642	1.8
115.05502	2.6
117.07025	25.0
119.08581	44.2
121.06521	7.0
121.10135	20.9
123.04494	2.1
123.08047	5.4
123.11732	8.8
125.09613	11.2
127.03915	5.1
128.06172	1.8
129.06984	11.5
131.08575	30.5
133.06505	3.2
133.10135	38.5
135.08069	6.1
135.11681	25.6
137.09619	5.8
137.13315	1.9
141.07001	4.6
142.07816	2.2
143.08636	8.7
145.05008	2.7
145.06458	4.0
145.10106	25.6
147.08034	3.2
147.11699	17.6
149.09628	20.6
149.13261	16.7
151.11174	4.2
153.07010	2.2
155.08562	6.0
157.10178	7.2
159.11694	23.9
161.09636	2.8
161.13258	7.5
163.11214	13.8
165.12753	4.6
169.10143	7.4
171.10330	2.6
171.11630	9.8
173.04553	2.4
173.09653	3.0
173.13275	7.2
174.69775	1.7
175.11194	3.4
177.12785	5.1
179.14320	4.7
181.10187	3.5
181.12213	2.1
183.11638	4.2
184.07291	3.9
185.13319	2.6
187.11201	1.9
187.14767	2.9
189.11238	5.0
189.12794	2.8
193.04994	1.9
195.11826	2.2
195.13857	6.2
197.13220	4.7
199.14809	2.0
203.10468	1.9
213.14745	3.0
227.12685	11.6
229.14305	3.4
229.19553	3.3
239.18024	5.8
243.20895	1.9
247.20515	3.5
253.18056	2.2
255.15892	10.9
257.19009	11.7
259.20779	2.1
267.15958	5.0
269.17459	40.7
273.18524	2.2
275.17328	2.1
275.20074	44.3
293.21136	5.1
309.20511	1.9
331.22638	3.1
349.19806	2.5
349.23779	42.3
367.24854	6.2
433.30966	2.4
435.27533	3.2
439.24512	6.6
440.24823	2.2
445.29318	2.8
449.28964	18.2
463.30682	21.5
469.33597	2.0
525.35809	5.4
529.35248	9.1
543.36847	43.2
544.37201	1.9
547.35858	2.3
561.37811	7.0
623.42902	7.9
625.70111	2.0
641.43646	6.0
641.54053	2.2
651.37927	1.9
722.54877	2.2
857.46228	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.7
65.03942	4.9
67.05505	82.5
69.03414	10.5
69.07070	49.7
70.23109	3.4
70.23504	3.8
71.05004	9.3
73.02924	2.7
79.05495	67.3
81.03425	16.0
81.07057	100.0
83.04971	17.7
83.08627	20.5
85.02921	6.5
85.06544	4.0
87.04456	1.6
91.05486	56.1
93.07046	78.2
95.04977	18.1
95.08609	46.9
97.02895	7.4
97.06532	21.8
97.10178	12.6
98.20904	2.1
99.04457	2.6
99.08092	2.8
103.05477	2.9
105.04546	1.7
105.07033	54.8
107.04968	12.6
107.08598	54.2
109.06500	8.4
109.10156	22.9
111.08105	9.5
113.09642	1.8
115.05502	2.6
117.07025	25.0
119.08581	44.2
121.06521	7.0
121.10135	20.9
123.04494	2.1
123.08047	5.4
123.11732	8.8
125.09613	11.2
127.03915	5.1
128.06172	1.8
129.06984	11.5
131.08575	30.5
133.06505	3.2
133.10135	38.5
135.08069	6.1
135.11681	25.6
137.09619	5.8
137.13315	1.9
141.07001	4.6
142.07816	2.2
143.08636	8.7
145.05008	2.7
145.06458	4.0
145.10106	25.6
147.08034	3.2
147.11699	17.6
149.09628	20.6
149.13261	16.7
151.11174	4.2
153.07010	2.2
155.08562	6.0
157.10178	7.2
159.11694	23.9
161.09636	2.8
161.13258	7.5
163.11214	13.8
165.12753	4.6
169.10143	7.4
171.10330	2.6
171.11630	9.8
173.04553	2.4
173.09653	3.0
173.13275	7.2
174.69775	1.7
175.11194	3.4
177.12785	5.1
179.14320	4.7
181.10187	3.5
181.12213	2.1
183.11638	4.2
184.07291	3.9
185.13319	2.6
187.11201	1.9
187.14767	2.9
189.11238	5.0
189.12794	2.8
193.04994	1.9
195.11826	2.2
195.13857	6.2
197.13220	4.7
199.14809	2.0
203.10468	1.9
213.14745	3.0
227.12685	11.6
229.14305	3.4
229.19553	3.3
239.18024	5.8
243.20895	1.9
247.20515	3.5
253.18056	2.2
255.15892	10.9
257.19009	11.7
259.20779	2.1
267.15958	5.0
269.17459	40.7
273.18524	2.2
275.17328	2.1
275.20074	44.3
293.21136	5.1
309.20511	1.9
331.22638	3.1
349.19806	2.5
349.23779	42.3
367.24854	6.2
433.30966	2.4
435.27533	3.2
439.24512	6.6
440.24823	2.2
445.29318	2.8
449.28964	18.2
463.30682	21.5
469.33597	2.0
525.35809	5.4
529.35248	9.1
543.36847	43.2
544.37201	1.9
547.35858	2.3
561.37811	7.0
623.42902	7.9
625.70111	2.0
641.43646	6.0
641.54053	2.2
651.37927	1.9
722.54877	2.2
857.46228	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	856.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	47.9
64.95595	2.3
67.05508	58.5
69.03416	9.6
69.07076	12.9
70.94575	8.2
71.04983	4.3
73.02917	18.7
79.05495	33.3
80.18560	2.4
81.03417	5.6
81.07065	65.7
83.04989	4.4
83.08615	4.5
85.02910	77.1
85.06515	2.9
85.54179	2.7
91.03960	65.8
91.05491	18.4
93.07057	46.7
95.04961	3.7
95.08615	54.3
97.02899	40.6
97.06531	4.6
97.10175	4.1
99.04476	5.1
99.08110	3.0
105.07040	16.3
107.08592	33.2
109.02905	3.8
109.06542	2.8
109.10153	26.9
111.08106	2.9
111.62601	2.4
115.03956	4.6
115.70247	2.5
117.06982	5.3
119.08575	11.7
121.10155	27.6
123.11739	20.3
127.03919	35.9
131.08533	16.9
133.10159	12.7
135.11722	23.4
137.13240	4.1
145.04959	35.9
145.10097	14.2
147.11678	9.7
149.13281	15.8
159.11700	9.4
161.13271	10.1
163.04709	5.4
163.06035	95.1
163.07399	5.4
163.14847	11.0
165.12746	4.5
173.13274	13.8
177.16391	6.8
179.14259	3.0
187.14854	9.7
189.64697	2.6
201.16408	3.7
205.15845	3.7
233.22691	3.0
238.44221	2.5
243.21103	35.1
261.22159	100.0
270.22595	3.2
279.23318	3.7
321.10938	2.9
325.11343	6.1
335.25858	44.0
353.26904	96.1
354.27423	3.9
497.31094	13.6
508.91617	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04517	0.8
60.50214	0.6
61.02925	68.8
61.24258	0.8
65.03928	2.1
67.05502	52.6
68.83266	0.7
69.03429	9.9
69.07068	9.8
71.04978	3.3
71.08620	1.3
71.59268	1.0
73.02504	1.6
73.02912	25.6
75.04459	1.2
79.05489	32.2
81.03426	4.1
81.07054	63.1
82.07375	0.9
83.05000	1.0
83.08611	6.1
85.02902	93.1
85.06527	2.8
87.04457	1.0
91.03951	82.3
91.05470	15.7
93.07040	42.8
95.04954	2.9
95.08603	50.8
96.03417	0.7
97.02888	44.3
97.06521	2.3
97.10174	4.0
99.04452	4.5
99.08089	2.5
101.02341	1.0
103.03914	2.1
105.07028	13.0
107.08588	29.2
109.02871	3.5
109.06492	1.5
109.10152	29.6
111.08097	0.9
113.09635	1.8
115.03896	5.3
117.05505	1.6
117.07018	6.4
119.08575	13.4
121.10139	28.0
123.08015	1.1
123.11705	14.5
125.00013	0.9
125.09605	1.1
127.03915	35.9
129.07031	1.2
131.08566	14.1
133.10121	11.4
135.11687	23.5
137.09630	2.7
137.13268	6.5
139.03862	0.9
139.11113	2.0
145.04955	45.0
145.10124	12.9
147.11697	10.1
147.72577	0.8
149.13243	18.8
149.14366	1.3
151.11182	2.0
151.14841	1.9
159.11671	11.9
161.13225	9.3
163.06007	100.0
163.14822	13.8
165.12746	2.5
171.11659	0.9
173.11774	0.8
173.13251	14.6
175.14815	2.8
177.12778	1.0
177.16389	5.9
179.14288	2.0
181.07069	1.1
184.07228	1.0
187.14799	7.7
189.16455	0.7
191.14346	1.8
201.16429	3.5
203.18062	0.8
204.08708	3.1
205.15939	1.9
215.17975	1.4
219.17474	1.5
233.18954	0.8
233.22655	2.9
243.21082	33.7
244.21274	0.8
245.17287	0.8
245.22736	0.9
261.22128	96.0
262.22421	1.4
263.23682	2.1
279.23108	5.9
283.18887	0.9
284.27283	0.8
289.09174	1.0
317.24713	1.6
325.11261	7.0
335.25784	36.0
350.47290	0.8
353.26849	91.2
354.27148	2.8
379.33807	0.7
456.71887	1.1
461.29294	1.1
479.29953	1.1
497.31036	8.8
524.60852	0.8
659.36389	1.4
775.24323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62860	0.4
65.03934	0.7
65.20356	0.5
67.05504	26.4
69.07069	14.2
71.04980	1.2
71.08620	1.5
71.59222	0.5
71.59633	0.7
79.05067	0.6
79.05493	7.8
81.03416	1.0
81.07056	32.0
83.04977	1.2
83.08140	0.7
83.08616	9.9
85.06532	1.1
91.05470	5.8
93.07036	9.0
95.04956	1.3
95.08606	26.2
97.06519	2.0
97.10162	5.3
98.98466	26.5
105.05938	0.5
105.07027	4.7
107.08582	5.6
109.06509	0.6
109.10153	11.7
111.08090	1.2
111.11720	1.0
116.99516	1.2
119.08585	7.5
121.10152	6.1
123.08130	0.8
123.11705	4.6
125.09624	0.8
127.11214	0.4
131.08542	0.9
133.10139	4.8
135.11649	3.0
137.06058	0.5
137.09622	1.2
137.13261	2.0
145.10103	0.8
147.11696	3.2
149.13248	1.4
151.11154	0.6
151.14803	1.9
155.01044	16.0
157.10005	0.8
159.11650	1.0
161.13251	2.5
163.14821	1.5
165.12708	0.5
165.16388	1.0
173.02110	5.1
173.13246	0.5
175.14810	1.6
177.16348	0.6
179.18022	0.7
182.10875	0.5
183.11649	0.6
184.07242	0.6
189.16386	1.2
197.13333	0.7
201.16298	0.5
239.18005	0.6
245.22633	8.0
253.19336	0.6
261.06625	0.5
263.23700	17.5
264.24023	0.9
273.24002	0.5
295.49936	0.4
299.20071	2.4
317.21146	5.6
337.27362	100.0
338.27838	2.1
417.23953	1.0
420.73172	0.4
421.32904	0.9
424.22266	0.5
853.45782	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.47
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	0.7
69.78786	1.0
72.93230	0.1
77.88903	0.1
81.07055	0.2
87.92449	0.1
91.05461	0.2
93.07048	0.2
98.21466	0.3
105.07027	1.3
107.08584	0.3
110.42163	0.1
111.04462	0.3
117.07014	0.2
119.08581	0.5
121.10190	0.3
123.04191	0.2
131.08574	0.5
135.08018	0.5
141.06966	0.2
141.68463	0.1
142.07800	0.2
143.08560	0.5
145.10133	0.6
155.08559	1.2
157.10121	1.0
158.10396	0.2
159.11676	1.4
169.10136	0.3
171.08131	0.2
171.11667	1.1
173.13181	0.2
181.10158	0.4
183.11659	0.2
185.13324	0.3
195.11696	0.4
197.13290	0.2
209.13309	0.3
211.14853	0.9
213.16351	1.2
221.13362	0.2
227.17996	0.4
237.16408	0.6
255.17506	0.4
279.17517	0.2
297.18326	0.2
315.19528	0.3
316.19620	0.1
319.40485	0.2
337.17706	4.8
338.18155	0.2
355.18857	0.5
378.20413	0.6
379.15964	0.2
437.22977	100.0
438.23306	4.3
471.18115	0.3
652.37012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.3
67.05505	35.0
69.07068	20.3
69.46873	5.3
70.06602	0.8
71.04982	0.9
71.08613	1.8
75.04471	0.7
79.05492	10.4
81.03390	1.4
81.07056	45.1
81.36674	0.6
81.52036	0.6
83.04982	6.1
83.08620	12.2
85.02905	0.8
85.06551	1.6
86.09698	0.7
88.07591	0.6
91.05481	7.6
93.07045	12.0
95.04965	1.7
95.08604	39.4
96.08920	0.6
97.06525	3.0
97.09599	0.8
97.10167	6.3
98.20686	0.7
98.98466	36.4
99.08088	1.5
105.07021	7.1
107.08599	8.3
109.06502	0.9
109.10155	13.9
111.04457	0.8
111.08078	2.0
111.11736	0.9
116.99458	1.0
117.06992	1.0
119.08568	8.8
121.10146	8.7
123.04346	0.7
123.08006	1.0
123.11710	7.0
125.09660	0.6
131.08553	1.4
133.10135	8.1
135.11685	4.1
137.09599	1.6
137.13251	2.3
140.01102	0.8
145.10176	1.5
147.08080	0.5
147.11668	6.2
149.02325	0.8
149.13303	2.4
151.14833	2.0
155.01044	19.0
157.10118	0.9
159.11734	1.5
161.13246	4.1
163.03938	0.7
163.14783	2.2
165.16438	1.0
169.10129	0.9
171.11653	0.8
173.02118	4.5
173.13287	1.3
175.14819	2.5
177.16455	0.8
184.07408	0.8
186.93742	0.6
189.16377	1.4
197.13234	1.2
245.22667	7.7
249.18311	0.6
263.23712	19.5
281.18973	0.6
299.20053	2.7
317.21234	5.4
337.27374	100.0
338.27716	2.3
409.26981	0.6
417.24429	1.8
419.31699	1.9
516.91235	0.7
688.78717	0.7
851.39630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05013	0.8
65.03930	0.3
67.01869	0.5
67.05493	3.0
69.03071	0.6
69.03426	8.6
69.07060	1.2
70.95357	0.8
71.01364	0.5
71.04985	2.2
73.02915	1.0
79.05056	0.5
79.05486	3.6
81.03416	19.7
81.07053	6.0
83.01340	1.1
83.04980	1.7
83.08637	0.7
85.02896	1.8
91.05479	8.2
91.06069	0.4
92.72168	0.3
93.07049	9.3
95.04980	1.8
95.08604	6.6
97.02885	18.3
97.06507	0.3
99.04451	4.3
103.05455	0.8
105.03393	0.4
105.07027	13.4
107.04960	1.8
107.08593	13.1
109.02875	100.0
109.06512	6.4
109.10159	3.4
110.03748	0.4
111.04436	2.8
111.08077	4.6
113.06020	0.9
115.03920	1.0
115.05480	0.6
117.07027	1.7
119.04926	0.7
119.08575	32.8
121.06502	2.7
121.10140	11.6
122.03658	0.7
123.04459	0.5
123.08057	11.2
123.11691	3.1
124.08828	1.4
125.05993	1.0
125.09624	71.1
126.09949	0.6
127.03911	65.1
128.04247	0.6
128.06262	1.2
129.06989	1.3
130.07822	0.4
131.04916	0.6
131.08556	1.4
133.06511	1.9
133.10124	27.3
134.10435	0.4
135.08046	1.7
135.11693	3.7
137.05974	9.6
137.09608	4.0
139.03931	0.4
139.07518	0.5
143.04910	0.5
143.08549	4.5
145.04953	7.9
145.06235	0.6
145.06459	0.7
145.10147	2.6
146.07256	0.8
147.08041	15.9
147.11620	0.5
149.05974	0.7
149.09598	1.3
151.03888	1.1
151.07596	1.9
151.11200	3.2
155.08502	0.4
157.06494	0.4
157.10062	0.7
159.08040	0.7
159.11684	1.1
160.05231	0.5
161.05966	0.7
161.09618	19.5
163.07513	1.4
163.11156	3.2
165.09111	20.2
167.07030	0.5
169.10097	0.5
171.08075	1.1
171.11649	0.8
173.09654	0.9
173.13274	0.8
175.07509	2.8
175.11197	1.0
177.09193	0.4
179.10658	15.4
181.12230	0.7
185.09587	0.5
185.13156	0.7
187.07532	2.0
187.11198	0.5
187.14751	0.4
189.09094	16.6
197.13263	0.6
199.11250	0.5
199.85274	0.3
201.09012	0.7
201.12798	0.5
203.10672	0.6
205.08603	0.4
207.10161	22.8
213.12743	0.4
217.08615	0.7
219.08055	0.7
219.13734	0.5
221.11443	0.4
225.11206	43.4
226.11583	0.7
229.12152	0.5
229.15941	0.9
231.08148	0.5
233.11731	0.7
243.13930	0.5
243.17549	0.4
248.08206	0.7
249.11168	1.0
253.15897	0.8
263.10550	0.6
263.18573	0.3
266.13904	0.4
267.12247	4.1
267.17294	0.7
268.72049	0.4
271.09784	0.9
271.16959	1.9
279.10049	0.7
285.18494	1.6
287.12692	0.6
289.17926	1.9
291.10120	1.6
295.17004	1.1
297.10861	0.5
301.08923	0.5
303.19415	1.4
311.12549	0.9
313.18042	2.4
315.12097	2.4
323.12845	3.2
331.19003	11.2
332.19644	0.4
333.13376	5.5
341.13779	3.2
349.20065	9.2
351.14380	8.5
357.13190	1.2
367.21140	0.7
391.21204	5.8
411.21793	0.4
419.52576	0.4
421.22305	1.9
439.21008	1.3
457.22189	13.8
458.22437	0.5
475.23230	9.8
493.24295	1.0
510.60629	0.4
598.50500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	0.5
65.03923	0.5
65.89438	0.4
67.05502	2.0
69.03433	5.3
69.07075	1.2
71.05001	1.0
72.18530	0.4
73.02908	0.5
77.03920	0.5
79.05493	4.5
81.02980	0.7
81.03423	11.2
81.07047	3.9
83.01327	0.8
83.04987	1.2
85.02898	1.3
85.06548	0.6
85.07660	0.9
91.05482	7.1
93.07042	5.7
94.71354	0.5
95.04984	3.0
95.08607	4.2
97.02896	10.7
97.06548	0.9
99.04454	2.2
102.04680	0.8
103.05469	55.3
105.07031	24.2
107.04958	2.0
107.08598	8.7
109.02882	59.7
109.06517	3.7
109.10167	3.0
110.03209	0.6
111.04446	1.6
111.08073	2.7
113.06020	0.6
115.05460	4.2
117.07004	0.9
119.04961	2.4
119.08583	19.6
119.09454	0.9
121.06504	1.3
121.10142	6.5
123.04471	1.0
123.08070	5.7
123.11723	1.4
124.08869	0.9
125.05997	0.6
125.09633	42.8
127.03921	36.1
127.04920	0.9
128.06226	1.2
129.06973	1.4
131.04929	100.0
132.05278	0.6
133.02812	0.8
133.06490	16.5
133.10127	15.3
135.08034	0.9
135.11691	2.4
137.05986	7.7
137.09622	2.1
139.07611	0.6
143.06033	1.5
143.08549	2.5
145.04962	4.6
145.06477	1.1
145.10103	1.5
146.07300	0.8
147.04448	3.9
147.08038	7.9
148.08749	0.5
149.05981	0.9
149.09616	0.7
151.03897	0.6
151.07521	1.4
151.11192	1.7
153.01822	0.6
155.08591	0.6
157.10088	1.2
159.08040	4.0
159.11697	0.9
161.05981	25.4
161.09601	10.2
162.06870	0.8
163.07544	21.9
163.11195	1.9
165.09119	11.0
167.07057	0.6
167.10706	0.6
169.06567	0.9
169.09923	0.4
171.08060	1.0
173.09558	0.6
175.07539	1.3
177.05470	0.8
179.07063	1.2
179.10664	9.1
181.10057	0.5
185.09619	0.5
187.07538	1.1
187.11087	0.6
189.09123	8.7
191.06924	0.7
193.04919	0.6
195.06516	0.9
197.05977	0.6
197.13214	0.6
199.07536	1.1
199.11131	0.8
199.14818	0.5
201.09122	0.4
203.07031	1.1
207.10175	13.6
215.07040	1.5
217.12164	0.5
219.08083	0.5
219.13766	0.5
225.11221	32.1
229.08427	1.1
229.15910	0.5
231.07983	1.1
233.08163	2.3
237.02869	0.6
249.11285	0.8
251.10645	0.8
257.08102	2.9
263.10690	0.7
267.09518	0.5
267.12231	3.8
269.08014	1.0
271.17004	1.0
275.09137	0.7
284.20901	0.5
285.18436	1.6
289.17899	1.9
291.10168	5.8
295.13342	0.8
295.16757	0.8
303.19403	0.9
311.12732	1.6
313.17920	1.5
315.12317	1.7
315.19507	1.1
323.12796	5.2
331.19012	6.6
333.13376	3.0
341.13910	2.4
349.20096	5.7
351.11221	0.4
351.14459	4.8
391.20978	3.2
421.22275	1.3
439.21075	1.1
441.22391	0.5
457.16568	0.7
457.22241	8.3
475.23206	6.0
490.21191	0.7
493.24292	0.7
551.23059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95236	0.6
67.01870	0.9
67.05511	3.3
68.99794	1.7
69.03430	9.6
69.07061	1.4
69.48805	1.0
69.49213	4.7
71.04993	6.0
79.05492	3.9
81.03419	17.3
81.07050	6.4
83.01319	0.7
83.04976	2.7
83.08625	1.0
85.02916	4.0
91.05489	7.7
93.07044	9.0
95.04967	2.3
95.08603	6.6
97.02279	1.2
97.02897	19.6
97.06514	0.9
99.04451	4.1
105.07034	14.7
107.04964	2.0
107.08601	14.1
109.02881	100.0
109.06503	6.9
109.10165	3.1
110.03702	0.7
111.04449	3.0
111.08071	4.1
113.06015	1.4
115.03904	1.1
115.05450	1.5
117.07026	1.4
119.08585	36.8
121.06501	3.3
121.10143	11.2
123.04425	3.9
123.08071	11.0
123.11696	3.0
124.08834	2.1
125.09633	73.2
127.03918	69.9
128.06221	1.0
131.04938	1.3
131.08566	1.7
133.06567	3.3
133.10132	30.2
135.08055	1.0
135.11682	3.2
137.05997	3.5
137.09610	3.7
139.03896	1.3
143.08557	4.1
145.04964	7.6
145.06081	0.9
145.10135	2.0
147.04408	4.3
147.08054	18.3
149.06052	1.2
151.03918	3.7
151.07539	3.1
151.11160	3.7
155.03455	0.9
157.06517	1.5
159.08067	1.2
159.11678	1.1
159.27126	0.7
161.06093	1.5
161.09605	21.8
163.03954	2.5
163.07539	1.4
163.11194	2.9
165.05499	1.7
165.09120	21.7
166.44902	0.7
167.06982	1.3
169.04980	1.3
169.10121	0.9
171.08089	1.6
175.03906	1.4
175.07565	2.4
175.11133	0.8
177.05527	0.6
179.07115	3.1
179.10670	16.8
179.12180	1.1
181.04993	1.6
183.11536	0.7
185.13304	0.7
189.05499	4.8
189.09120	17.5
191.07060	1.2
193.04941	4.1
197.08112	10.5
197.09789	1.0
199.07582	0.9
203.06963	3.4
203.10756	1.0
203.77043	0.6
207.10178	25.8
209.08138	1.5
211.14845	0.8
213.05467	1.3
215.06938	1.0
217.04967	14.7
217.08362	0.8
221.08138	3.7
225.11214	39.7
229.15988	0.9
235.05983	7.5
235.09624	0.9
239.09187	7.5
241.04982	2.2
245.08119	0.9
249.11244	1.6
253.15985	0.9
259.06085	3.0
259.09760	1.2
263.09116	5.6
266.13724	0.8
267.12286	10.0
271.17007	1.8
275.09235	1.7
283.06052	2.1
285.18567	2.3
287.09119	3.9
289.17883	3.2
295.17004	0.9
297.13531	0.9
301.07065	1.9
303.19641	1.5
305.10083	4.0
313.18033	2.6
315.12375	2.8
323.11487	1.0
325.07089	1.3
328.47110	1.0
329.10144	1.3
331.19061	15.0
333.13315	6.6
341.12454	2.0
349.20117	17.3
351.14362	9.7
353.10275	1.1
359.13428	1.5
367.21149	2.0
385.13391	0.8
391.21143	20.2
409.22314	0.9
414.68115	0.8
415.65784	0.8
421.22079	3.5
439.21255	2.6
445.22119	0.9
451.23383	2.7
457.22241	33.3
475.23297	24.7
476.23499	1.2
493.24353	3.7
545.27765	1.3
565.24445	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02392	0.2
67.01862	1.4
68.99788	0.7
69.03426	4.3
70.12183	0.3
70.12587	0.7
71.01361	0.3
71.04983	1.5
76.56149	0.2
77.03912	0.7
78.04707	0.6
79.05486	0.8
79.98661	0.2
81.03413	6.2
85.02901	2.3
86.09691	0.3
87.00842	0.4
89.03905	3.2
91.05485	0.4
95.04945	0.6
97.02274	0.4
97.02885	6.9
97.03513	0.4
98.20808	0.2
99.04448	2.1
103.05463	0.2
105.03375	1.5
105.07017	0.3
106.04172	0.8
107.04934	1.0
108.02094	0.2
109.02871	9.1
117.03371	3.7
117.06955	0.3
119.04978	0.2
119.08524	0.3
123.04433	0.6
125.09597	0.2
127.03908	100.0
128.04277	0.4
131.04887	0.4
133.02843	3.9
134.03625	11.2
135.04411	10.2
145.02831	7.2
145.04839	0.2
147.04391	0.6
151.03886	1.4
153.01817	23.3
162.03108	3.3
163.03894	71.3
164.04219	0.8
165.08945	0.2
167.07036	0.6
171.02892	0.3
179.03433	0.9
180.04190	1.0
181.04912	1.2
186.05566	0.5
191.03375	5.7
191.07051	0.2
199.03807	0.2
213.03922	0.4
215.03389	0.5
215.66090	0.2
216.04158	0.7
217.05032	0.4
225.11252	0.2
227.03366	0.4
227.06995	0.2
228.04211	0.3
229.04951	0.4
231.04691	0.4
234.08806	0.4
243.02861	2.3
243.77876	0.2
244.03664	4.9
245.04364	0.8
255.02840	3.0
256.03650	0.6
257.04611	0.3
259.06100	0.5
269.04413	0.3
271.02408	0.2
271.05942	0.3
272.03156	5.7
273.03903	1.3
273.32892	0.2
274.04648	0.3
277.06912	0.3
283.02328	0.6
285.03894	0.5
287.05481	62.9
288.05939	1.3
299.05579	1.0
301.03485	1.2
302.04141	0.9
306.07217	0.3
307.08279	1.5
313.06961	0.3
315.04968	21.3
316.05756	19.2
316.09561	0.5
317.06525	11.5
329.06406	0.4
335.07504	0.2
344.05188	0.8
349.19962	0.3
353.03107	0.3
365.05173	0.3
393.08087	0.9
409.07620	0.4
410.08502	1.5
411.09192	19.7
425.08484	0.3
439.08429	0.3
459.06906	0.3
477.08163	6.6
486.27145	0.2
499.08560	0.3
529.10010	0.4
621.12115	0.6
707.12445	0.3
725.13416	17.4
726.13379	0.4
727.21136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	5.5
67.05477	0.8
69.07050	0.7
70.06588	22.1
71.08633	3.0
72.08133	0.5
74.06050	0.6
79.01839	0.5
79.05470	0.5
81.07024	0.8
83.08628	0.4
84.08129	0.6
85.10162	1.1
86.09688	1.0
88.07623	26.3
91.05436	0.5
93.03381	0.4
93.07018	0.6
95.04949	0.7
102.09172	19.6
105.03363	0.9
105.06982	0.5
108.79374	0.5
121.02853	1.7
133.02844	0.4
136.01559	0.5
139.03868	3.6
147.04393	1.8
149.02335	83.1
149.03389	4.5
150.02643	1.0
175.03963	2.6
176.04572	0.5
177.05498	1.5
191.06992	1.0
193.04950	44.8
212.23732	0.5
219.06487	2.5
230.03423	0.4
237.07562	11.8
256.26334	62.7
257.26740	1.8
258.67825	0.5
269.04465	0.7
297.03922	1.5
300.28964	1.1
313.07062	1.1
333.14130	0.5
335.25558	0.5
341.06512	3.7
343.08020	1.8
359.07599	1.8
385.09079	6.4
411.10712	0.6
429.11948	1.6
533.10419	1.2
537.12543	0.5
577.13434	7.6
621.16022	11.2
832.39087	1.5
850.39960	100.0
851.40417	6.4
877.17792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	2.5
61.02926	10.0
62.55076	0.3
65.03941	1.8
66.44759	0.3
67.05503	84.7
68.05840	0.7
69.03427	2.5
69.07065	7.0
69.75292	2.1
71.04983	2.9
71.08608	0.5
73.02924	3.4
74.59402	0.3
79.05489	19.4
81.03415	1.0
81.07054	33.5
82.07390	0.4
83.01327	0.4
83.04980	1.0
83.08138	0.6
83.08619	7.9
85.02903	12.1
85.06543	2.8
85.94126	0.4
87.04442	0.4
91.03954	8.8
91.05479	11.9
91.65723	0.3
93.07042	25.4
94.07352	0.4
95.04979	2.1
95.08602	25.6
96.04436	0.4
97.02887	7.1
97.06535	1.4
97.10181	2.6
98.20743	0.6
99.04452	1.1
99.08055	1.5
100.48946	0.3
105.07028	7.5
105.07681	0.6
107.07864	0.8
107.08595	15.0
109.02877	0.6
109.06507	0.8
109.10152	72.7
110.10487	0.7
111.08085	3.4
113.09639	0.4
115.03982	0.4
117.07008	2.5
119.08577	11.0
121.10143	12.6
123.08073	0.9
123.11703	4.2
125.09662	1.7
127.03901	4.0
129.06985	0.6
131.08556	5.9
133.10129	5.3
135.08072	0.6
135.11682	8.5
137.09610	3.4
137.13245	1.3
139.11229	0.3
143.08546	0.4
145.04964	3.9
145.10120	4.5
147.11679	4.1
149.13235	5.1
155.10660	4.0
157.10066	0.5
159.11678	3.8
161.13251	3.8
163.06018	5.3
163.14801	3.0
171.11784	0.4
173.11775	20.9
173.13264	4.1
174.12082	0.4
175.14844	1.4
177.16399	1.3
185.13252	0.4
187.14812	1.8
189.11209	1.4
189.16441	0.5
191.14246	0.5
201.16408	1.2
213.14742	0.5
215.17915	0.5
219.17561	0.5
227.12772	7.3
228.12973	0.4
229.14349	100.0
230.14706	2.1
233.22713	0.9
241.19476	0.4
243.21080	6.7
259.20602	0.4
261.22137	24.1
262.22580	0.5
263.23636	0.7
299.23376	0.3
317.24777	3.3
333.24179	0.7
335.25793	79.9
336.26236	3.0
353.09921	0.4
367.25333	0.4
373.18564	0.7
379.29785	1.4
397.30908	1.4
401.17999	0.4
415.32040	1.3
435.31091	0.5
471.34741	2.8
489.35748	84.8
490.36041	5.9
496.84555	0.4
507.36850	9.1
508.36935	0.9
633.39746	1.0
848.51440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	3.6
61.02930	10.1
65.03946	2.2
67.05508	85.2
68.05851	0.9
69.03432	2.6
69.07067	7.1
70.30757	1.9
71.04993	3.8
71.08658	0.7
73.02924	2.9
79.05495	17.0
81.03432	1.5
81.07062	33.0
83.04993	0.8
83.08615	7.1
85.02912	14.5
85.03432	0.8
85.06548	3.4
87.02810	0.4
87.04491	0.5
88.73889	0.5
91.03967	8.5
91.05485	12.0
93.07050	22.8
95.04979	2.0
95.08610	25.7
96.04511	0.6
97.02888	7.2
97.06527	1.1
97.10192	2.0
99.04493	0.4
99.08102	1.0
105.07030	7.1
107.08601	12.5
109.06547	0.7
109.10161	76.6
110.10548	0.7
111.08087	3.8
113.51505	0.5
115.03915	0.6
117.07014	3.2
119.08583	11.6
121.10147	11.2
123.08102	0.5
123.11701	3.3
125.09642	1.3
127.03927	3.2
131.08556	5.9
133.10132	5.4
135.08055	1.0
135.11700	8.3
137.09625	3.9
137.13263	1.6
139.11127	0.8
145.05000	3.4
145.10149	4.4
147.11703	3.8
149.13263	5.0
155.10666	3.1
159.11703	3.0
161.13274	3.2
163.06053	5.0
163.14867	2.7
171.11839	0.5
173.11765	23.2
173.13266	3.1
175.14798	1.1
177.16409	1.3
180.08791	0.5
187.14815	1.9
188.33354	0.5
189.11269	1.3
191.14400	0.5
201.16464	0.5
213.14774	0.5
227.12811	7.6
229.14365	100.0
230.14702	1.9
233.22760	0.8
243.21095	4.4
250.23082	0.5
259.20383	0.5
261.22156	17.5
279.23218	0.5
299.23871	0.6
317.24634	2.6
335.25812	61.3
336.26169	2.1
379.29971	0.7
397.30847	1.6
415.31915	1.1
430.87219	0.5
471.34793	3.4
489.35800	47.6
490.35980	2.0
507.36789	9.1
617.12653	0.5
668.88831	0.6
797.59137	0.6
848.49707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.277
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22520	0.2
70.01946	0.8
71.04989	0.2
73.36990	0.1
79.05482	0.3
81.07029	0.5
91.05481	0.2
93.07054	1.6
106.67520	0.1
107.08595	1.1
109.10193	0.2
118.92100	0.3
135.11655	0.9
136.93034	1.8
153.12689	0.4
154.94168	7.0
172.95239	25.4
177.95770	0.2
190.96286	14.9
195.96825	1.1
208.97343	0.3
213.97899	0.5
223.00471	0.2
234.90851	0.4
235.00455	0.3
237.02023	0.8
241.01523	0.5
242.99437	0.4
252.91850	2.1
253.01509	0.7
255.03070	2.7
257.01083	0.2
270.92953	0.9
273.04019	0.3
281.04672	0.3
289.05093	6.9
291.08429	0.2
295.06323	0.3
299.91269	0.2
307.06174	32.5
308.06570	0.8
325.07233	59.1
326.07581	1.2
330.07907	0.8
343.08298	12.2
344.08765	0.3
348.08850	3.6
348.12711	0.1
349.09290	0.3
366.09845	0.4
369.01755	0.5
387.02808	5.9
405.03876	12.0
423.04947	1.6
428.05475	0.5
441.17267	0.2
447.98270	0.2
459.18286	0.7
477.19373	0.6
539.14587	1.3
546.52258	0.2
557.15894	6.2
558.16193	0.4
575.16943	100.0
576.17175	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	0.9
65.03937	0.8
66.57357	0.3
67.05499	3.3
69.03429	10.2
69.07065	2.2
69.83146	2.1
70.30356	0.3
71.04991	0.7
72.79617	0.3
79.05498	5.3
81.03414	4.2
81.07059	8.6
83.04961	1.8
83.08625	1.1
85.02908	2.9
85.06554	0.5
89.28384	0.3
91.05474	8.1
93.03417	0.5
93.07046	12.0
95.04969	2.9
95.08608	11.4
95.09113	0.3
95.09219	0.5
97.02895	13.7
97.06525	1.2
98.20834	0.6
99.04459	1.6
103.05450	0.8
105.07030	15.7
106.07845	0.5
107.04951	1.7
107.08595	15.5
108.20389	0.4
109.02886	8.8
109.06511	7.2
109.10174	3.6
111.04446	4.1
111.07358	0.5
111.08082	7.0
113.05989	1.1
115.03934	0.5
115.05449	0.3
117.07006	1.4
119.04979	0.5
119.08582	34.1
120.08900	0.7
121.06521	3.7
121.10146	23.5
123.04450	0.5
123.08070	13.4
123.11697	3.3
124.08889	0.6
125.09631	100.0
126.09969	0.9
127.02983	0.6
127.03926	11.6
128.06194	0.7
129.07037	0.7
130.07765	0.5
131.08565	1.5
133.06496	2.6
133.10132	30.5
135.07999	1.9
135.11681	3.9
137.05948	1.8
137.09618	4.8
139.07503	0.8
142.07716	0.4
143.08556	4.7
145.04977	0.5
145.06462	0.9
145.10121	3.2
146.07272	0.7
147.04436	0.5
147.08044	18.8
147.11667	1.4
149.05957	0.6
149.09630	0.8
151.07559	4.2
151.11186	3.9
157.10159	1.7
159.08070	0.5
159.11633	2.0
161.05957	0.5
161.09619	22.4
161.13281	0.8
163.07556	1.4
163.11189	2.8
165.09116	27.0
167.10651	0.7
169.10085	0.9
171.08035	1.6
171.11755	1.7
173.09644	1.5
173.13272	1.5
175.11209	2.3
175.14679	0.6
179.10674	20.6
181.12215	0.8
183.11693	1.1
185.09673	0.5
185.13231	1.0
187.11192	1.3
187.14818	0.8
189.09116	19.5
190.09344	0.3
191.14323	0.6
193.12196	0.5
197.09709	0.6
197.11674	0.4
197.13287	0.5
199.11206	1.1
199.14870	0.6
201.09093	0.6
201.12733	0.8
203.10699	0.6
207.10173	34.6
208.10492	0.6
209.11725	0.4
211.11288	0.5
211.14772	0.6
213.12781	0.3
215.10657	0.8
215.14328	0.9
217.12178	0.6
219.13759	0.7
225.11217	79.0
225.44841	0.3
226.11520	0.8
227.14232	0.9
229.12291	0.5
229.15945	1.9
231.13698	0.6
233.15379	0.6
239.17975	0.6
241.19510	0.4
243.12035	0.5
243.17506	1.3
253.15892	1.8
266.13757	0.4
267.17413	1.3
269.18979	0.6
271.16949	6.4
285.18491	2.8
289.17972	10.0
291.12372	0.5
295.16995	2.5
303.19559	2.8
313.17963	6.4
331.19043	65.4
332.19363	1.0
333.13269	1.9
337.86536	0.4
349.20090	24.6
351.14267	1.7
367.21436	1.9
367.25256	0.5
369.15482	3.1
372.21701	1.2
415.21207	1.9
433.21814	0.5
457.22247	3.2
475.23264	5.9
493.24353	41.1
494.24539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05010	0.7
65.03936	0.9
67.01854	0.5
67.05504	3.6
69.03425	8.7
69.07061	1.6
69.49565	0.6
69.49973	2.8
71.04983	2.4
73.02893	0.9
74.73846	0.4
79.05490	5.3
81.03413	19.8
81.07054	6.5
83.01334	1.5
83.04985	1.4
83.08608	1.0
85.02901	2.8
85.06549	0.6
88.88692	0.4
91.05476	8.4
93.07040	11.2
95.04958	2.7
95.08607	8.4
97.02892	19.3
97.06528	0.7
98.20711	0.5
99.04443	4.0
99.08079	0.7
105.07034	15.4
107.04939	2.0
107.07856	0.7
107.08589	15.5
109.02876	100.0
109.06515	7.1
109.10155	4.4
110.03208	0.6
111.04442	3.1
111.08056	4.8
113.06031	1.1
115.03911	0.8
115.05444	0.7
117.07023	1.8
119.04939	0.7
119.08577	36.8
121.06500	3.2
121.10139	11.2
122.15725	0.5
123.04392	1.0
123.08064	10.7
123.11715	3.2
124.08830	1.6
125.06044	0.9
125.09623	89.3
126.09969	0.9
126.42844	0.4
127.03911	75.9
128.04233	1.0
128.06226	1.1
129.06969	0.9
130.07758	0.4
131.04916	0.7
131.08591	2.4
133.06483	1.8
133.10123	31.0
134.10451	0.7
135.08032	1.6
135.11687	3.9
136.11855	0.4
137.05971	2.3
137.09601	4.1
139.03914	0.5
139.07492	0.7
143.08562	5.2
145.04956	8.2
145.06235	0.8
145.10130	3.1
146.07214	0.7
147.04378	0.6
147.08040	17.5
147.11661	0.9
148.08702	0.5
149.05975	0.8
149.09570	0.7
151.07504	2.3
151.11156	4.2
153.09087	0.5
157.10088	1.4
159.07959	0.6
159.11661	1.5
161.09615	23.7
163.03915	0.9
163.07561	1.3
163.11206	3.1
165.09113	23.8
171.08040	1.2
171.11591	1.0
173.09584	0.9
173.13263	0.7
175.11160	1.0
177.05484	0.6
177.09204	0.5
179.09081	0.9
179.10663	17.4
183.11691	0.7
185.13284	1.5
187.11153	0.8
187.14810	0.9
189.09100	16.1
189.12634	0.6
199.11304	0.5
203.10628	0.9
205.08327	0.5
206.44711	0.4
207.10155	27.5
211.11188	0.5
211.14786	0.4
215.10632	1.0
225.11198	47.0
226.11470	1.0
229.12262	0.5
229.15834	1.1
233.11623	0.5
237.11305	0.5
238.10023	0.4
243.12123	0.5
243.17383	1.0
249.11218	0.8
253.15825	0.6
257.76416	0.4
267.12317	4.2
267.17325	1.3
271.16885	1.9
285.18509	2.1
287.12668	0.5
289.17944	3.5
295.16953	1.2
297.13443	0.6
303.19522	1.2
313.17941	3.3
315.12247	2.2
331.19046	15.6
332.19189	0.6
333.13364	7.7
334.13550	0.5
349.20071	21.7
350.20413	0.5
351.14398	10.3
354.92096	0.4
367.20984	1.6
369.15375	0.6
391.16248	0.7
391.21115	9.4
409.22162	0.8
411.21176	0.7
421.22375	3.2
439.21271	2.6
457.22195	26.1
458.22440	0.7
475.23273	20.8
476.23077	0.7
493.24243	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	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52885	3.6
65.03929	4.5
67.05508	88.8
69.03428	9.6
69.07071	39.1
71.04987	7.0
71.58939	5.5
71.59351	4.3
77.80466	3.9
79.05500	83.4
79.42689	4.3
81.03418	15.2
81.07059	100.0
83.04980	13.3
83.08609	25.0
85.02877	5.5
85.06541	5.7
86.09696	4.4
91.05488	83.3
93.07042	82.7
95.04971	16.6
95.08606	59.9
96.54259	3.2
97.02896	6.5
97.06537	10.6
97.10189	7.6
99.08099	4.2
105.07033	71.4
105.07679	6.7
107.04941	7.9
107.08585	60.8
109.06512	6.9
109.10155	29.5
111.08079	9.0
115.05512	5.4
117.07014	37.5
119.08588	58.6
121.06487	3.8
121.10155	31.7
123.08107	4.6
123.11687	8.4
125.09647	8.0
129.06999	23.2
131.08565	43.7
133.10143	56.7
135.08055	6.1
135.11684	18.6
141.06995	5.2
143.08588	24.5
145.10132	40.8
147.11708	37.2
149.09653	8.1
149.13274	13.3
155.08572	9.7
157.10152	15.5
159.11723	25.3
161.13281	16.6
163.11220	7.3
167.08582	6.2
169.10109	10.3
171.11690	20.4
173.13257	12.7
175.11293	3.5
175.14882	6.6
177.12711	5.2
181.10162	7.4
183.11685	11.7
184.07375	18.7
185.13268	16.4
187.14822	9.2
194.45999	3.9
195.11711	8.2
197.13332	8.0
199.14932	7.3
209.13324	7.5
211.14877	5.3
229.19560	3.8
237.16487	6.2
239.18134	4.0
241.19606	13.2
255.15950	9.8
257.19131	5.9
259.20511	38.1
261.22141	4.1
269.17563	11.4
273.18539	5.2
275.20148	17.8
279.80157	3.7
313.21414	4.2
315.23340	6.0
320.31815	3.4
333.24274	50.3
335.25830	10.4
349.23837	6.4
365.23071	3.9
417.31525	4.4
435.32419	7.1
439.32004	5.1
453.33661	5.1
471.35001	6.5
513.35760	28.6
515.37714	5.2
527.37347	48.3
533.40009	5.6
543.36389	4.6
545.38348	5.5
607.43842	29.9
625.44788	37.7
674.99091	4.9
689.42224	6.9
860.01929	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	7.1
65.03944	4.7
67.05505	93.6
67.30750	5.0
69.03419	8.9
69.07071	31.3
70.95010	14.7
71.05006	8.0
72.01189	4.5
79.05492	79.4
81.03409	24.1
81.07061	95.0
83.04967	19.3
83.08604	17.0
85.06535	8.2
85.32155	4.7
90.13787	4.8
91.05480	62.2
93.03432	5.9
93.07046	82.1
95.01358	5.3
95.04947	29.1
95.08612	56.5
97.06527	36.7
97.10154	11.5
105.07037	48.8
107.04962	32.6
107.08608	48.5
109.06513	30.3
109.10152	18.0
111.04409	8.3
117.07010	21.5
119.08559	27.5
121.02898	8.7
121.06516	29.8
121.10146	32.2
123.04471	5.6
123.08064	22.0
125.02230	4.6
125.06023	11.5
125.09666	12.8
129.06987	11.6
131.08572	38.9
133.06454	6.9
133.10129	25.5
135.08063	20.0
135.11699	14.4
137.09682	5.8
139.05589	5.1
141.07027	5.7
143.08534	9.3
145.06464	9.2
145.10121	18.9
147.08076	8.0
147.11702	12.9
149.09557	6.0
149.13266	7.8
151.07460	5.5
156.99968	4.9
159.08047	25.1
159.11763	13.9
161.13263	5.9
163.07521	11.4
171.11639	6.0
173.09592	10.6
173.13243	8.0
174.34444	5.5
175.11118	7.7
177.12711	6.0
187.11324	7.7
187.14708	6.1
193.12183	6.5
227.12766	5.6
233.15356	41.2
241.14330	10.8
247.13220	5.7
256.38553	5.0
261.22318	9.0
271.16968	25.5
289.17993	78.5
307.18933	28.2
335.25778	100.0
363.21918	29.5
381.22531	26.3
623.43469	31.5
641.44293	64.2
649.65326	5.9
659.45355	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	837.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01579	0.2
63.02361	0.4
66.92130	0.1
67.01587	0.1
67.01865	1.3
67.05492	0.3
68.99777	0.8
69.03081	0.2
69.03427	3.7
71.01328	0.2
71.05000	0.9
75.74656	0.1
75.82733	0.1
77.03918	0.6
78.04700	0.8
79.05493	0.9
81.03416	7.5
81.07066	0.1
85.02904	3.0
87.00829	0.6
87.05608	0.1
89.03908	4.3
91.05466	0.8
93.07050	0.2
95.04995	0.8
95.08572	0.2
97.02887	7.1
99.04459	1.8
103.05444	1.0
104.05806	0.2
105.01866	0.2
105.03384	1.6
105.07019	0.7
106.04179	1.0
107.04955	2.0
107.08592	0.4
108.02056	0.2
109.02878	9.4
109.10102	0.2
111.00774	0.2
111.04418	0.2
112.39888	0.1
112.52126	0.1
115.05424	0.3
117.03380	5.5
119.08553	0.5
121.02899	0.2
121.10104	0.2
123.04426	0.7
123.08030	0.1
125.02390	0.2
127.03910	94.1
127.42136	0.1
128.04240	0.6
128.51401	0.1
131.04913	1.3
132.05267	0.5
133.02852	2.7
133.06541	0.3
133.10103	0.4
134.03629	14.8
134.10449	0.2
135.04410	13.5
136.05058	0.1
137.02339	2.0
137.05936	0.4
138.06256	0.1
145.02841	10.1
145.04749	0.2
145.06487	0.2
147.04347	0.4
147.07993	0.2
151.03870	0.3
153.01819	18.5
154.02345	0.1
158.06046	0.1
161.02322	0.5
161.05972	1.2
161.09685	0.2
162.03113	3.4
162.06291	0.2
163.03894	100.0
164.04208	0.8
164.07837	0.2
165.01880	0.3
165.09137	0.3
167.07047	0.5
171.02948	0.2
171.04387	0.3
173.02322	0.3
173.05986	0.3
175.03944	0.2
177.05458	0.4
179.03407	1.0
180.04198	1.2
181.04993	1.1
181.06473	0.3
183.02850	0.1
186.05527	0.4
187.03909	0.3
189.05466	0.4
189.09073	0.2
191.03387	9.8
195.02864	0.1
197.00764	0.2
199.03920	0.2
199.07567	0.1
201.05460	0.3
202.22047	0.1
203.03419	0.3
203.07121	0.2
205.08516	0.2
208.20445	0.1
209.06000	0.2
213.03928	0.5
215.03424	0.7
215.07022	0.1
217.04913	0.6
217.08559	0.2
225.11208	0.4
226.11528	0.2
227.03374	1.3
227.07039	0.4
228.04176	0.5
229.04913	0.4
231.05020	0.4
233.04446	0.2
243.02925	0.4
243.06520	0.1
245.04439	1.8
245.08160	0.2
247.05978	0.3
253.04890	0.2
255.02922	1.2
256.03745	0.3
257.04352	0.4
261.04044	0.3
265.04807	0.2
271.06042	0.5
273.03918	33.6
274.04550	1.2
277.07086	0.2
285.03952	0.9
289.07132	0.3
295.06024	0.1
299.05487	0.3
301.03412	9.7
302.04193	7.8
303.04980	15.3
305.06595	0.2
306.07193	0.4
307.08112	1.4
311.05408	0.2
315.04987	0.3
317.06601	0.4
330.03705	0.4
335.07547	0.3
365.05045	0.3
372.80325	0.1
393.08347	0.8
409.07632	0.4
410.08478	1.5
411.09216	15.4
412.09723	0.3
435.06958	0.3
445.05548	0.5
463.06558	8.2
481.07608	0.2
485.07123	0.2
497.07394	0.2
515.08197	0.8
522.09973	0.1
607.10718	0.5
641.22009	0.3
651.09894	0.1
656.77008	0.2
667.12347	0.1
693.10248	0.6
711.11871	17.3
712.12085	0.4
732.52100	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	837.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02386	0.5
65.03941	0.2
67.01865	1.3
67.05508	0.1
68.99786	0.6
69.03067	0.3
69.03427	3.9
69.91611	0.2
69.92015	0.5
71.04996	1.0
76.14272	0.1
77.03925	0.3
78.04706	0.6
79.05495	1.1
80.10308	0.2
81.03418	6.2
81.07048	0.2
85.02902	2.6
86.09724	0.1
87.00826	0.6
89.03910	4.1
91.05473	0.4
93.07041	0.3
95.04984	0.8
97.02891	7.5
99.04450	1.8
103.05463	0.8
104.05814	0.2
105.01859	0.2
105.03411	1.0
105.07041	0.6
106.04163	1.0
106.07375	0.1
107.04969	1.7
109.02874	9.6
109.10131	0.2
111.00775	0.3
115.05449	0.3
117.03374	4.9
119.04916	0.1
119.08554	0.4
121.02895	0.3
123.04415	0.4
125.09637	0.3
126.03156	0.2
127.03911	91.9
128.04250	0.6
131.04921	1.3
132.05272	0.3
133.02831	1.6
133.06506	0.3
134.03627	15.3
135.04414	13.1
137.02344	1.4
137.05986	0.4
145.02843	9.8
147.04395	0.3
151.03938	0.2
153.01819	17.6
154.02153	0.2
161.05952	0.6
162.03116	4.2
163.03897	100.0
164.04243	0.7
165.01843	0.2
167.07025	0.2
171.03001	0.2
171.04395	0.2
172.33716	0.1
173.06015	0.2
175.03882	0.2
177.05479	0.4
179.03362	0.7
180.04181	1.0
181.04950	1.0
186.05518	0.5
187.03926	0.2
189.05457	0.4
191.03384	9.2
193.01251	0.2
197.00764	0.3
199.03967	0.2
201.05524	0.2
203.03517	0.3
207.10136	0.1
213.03934	0.4
215.03297	0.7
217.04916	0.4
225.11197	0.3
226.11617	0.3
227.03409	1.1
227.07027	0.4
228.04234	0.5
229.02832	0.2
229.05016	0.6
231.02831	0.2
231.04935	0.3
243.02802	0.3
245.04442	1.5
245.08171	0.3
247.05984	0.3
255.02852	0.9
256.03650	0.2
257.04416	0.3
261.03836	0.2
269.04263	0.2
271.06042	0.6
273.03925	31.1
274.04578	0.9
285.03937	0.7
299.05469	0.2
301.03421	8.3
302.00735	0.3
302.04196	7.5
303.04977	13.0
306.07184	0.2
307.08160	1.6
311.05536	0.3
315.04880	0.3
330.03815	0.4
335.07617	0.2
351.07126	0.2
365.05099	0.4
392.07465	0.2
393.08545	0.8
410.08478	1.7
411.09210	16.6
412.09503	0.2
416.14853	0.2
435.06793	0.2
439.08734	0.3
445.05417	0.4
463.06570	7.5
464.06937	0.2
481.07547	0.2
485.07333	0.1
515.08142	0.7
607.10486	0.7
667.12146	0.2
693.10815	0.3
711.11871	15.9
712.11993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.9
65.03925	0.7
66.66953	0.4
67.05171	0.5
67.05504	7.1
69.03432	6.2
69.07066	3.0
70.19517	1.7
71.01334	0.5
71.04990	2.0
73.02925	0.8
77.03944	0.5
79.05489	8.6
79.57695	0.4
81.02972	0.8
81.03416	10.5
81.07059	8.6
83.01321	0.6
83.04979	3.0
83.08612	1.2
85.02914	2.5
85.06515	0.6
88.67875	0.4
89.03923	0.8
90.50710	0.5
91.04906	0.5
91.05476	10.7
91.06013	0.9
93.03413	0.6
93.07044	12.7
94.07383	0.5
95.04966	5.9
95.08610	9.2
97.02279	0.7
97.02895	11.6
97.06545	3.4
99.04449	2.8
103.05470	52.0
104.05774	0.5
105.07032	36.6
106.07358	0.8
107.04946	4.0
107.08595	17.2
109.02880	12.3
109.03586	0.9
109.06530	4.4
109.10160	16.2
111.04447	10.4
111.08075	1.7
113.06026	0.5
115.05460	4.8
117.07016	4.5
119.04945	2.8
119.08585	24.8
121.02856	1.9
121.06506	4.7
121.10153	7.3
122.03703	0.8
123.04450	2.5
123.05196	0.4
123.08073	4.8
123.11665	2.9
125.05960	1.2
127.03918	27.0
128.06190	2.3
129.07022	3.5
130.07770	1.1
131.04930	100.0
131.08553	6.1
132.05313	1.3
133.02882	1.0
133.06491	22.9
133.10133	17.9
133.10910	0.4
134.10464	0.7
135.04459	1.1
135.08051	8.5
135.11714	2.8
137.05978	19.7
137.09608	2.4
139.07547	0.8
141.06975	1.5
142.07790	1.7
143.04948	1.0
143.06052	1.4
143.08557	6.7
145.02853	0.8
145.04979	2.1
145.06496	2.1
145.10114	7.3
146.07292	0.5
147.04422	3.9
147.08058	10.7
147.11691	3.3
149.05991	1.8
149.09613	4.4
151.03882	0.9
151.07529	0.7
151.11198	1.8
153.07010	0.5
155.08580	1.5
156.09326	1.0
157.06517	1.7
157.10138	6.0
158.07257	0.5
159.08037	3.0
159.11688	3.7
160.05190	1.1
161.05980	31.7
161.09619	12.9
161.13324	0.7
162.06339	0.4
163.03889	3.7
163.07539	22.6
163.11163	6.7
165.05484	1.1
165.06956	1.6
165.07639	0.6
165.09108	10.9
165.10490	0.6
166.07790	1.4
167.07056	1.1
167.08420	0.9
169.06480	1.1
169.10115	2.2
170.07268	0.8
170.10944	0.7
171.08063	2.2
171.11702	4.4
172.05258	0.6
173.09615	2.8
173.13268	1.7
175.07570	4.3
175.11192	1.8
175.14809	0.5
177.05489	1.0
177.09103	0.5
177.12726	0.5
179.07060	1.5
179.10661	7.5
180.09352	0.5
181.10136	4.5
183.04544	0.4
183.08028	0.5
183.11783	1.2
184.08832	0.8
185.06035	0.4
185.09612	7.5
185.13266	1.4
187.07495	4.1
187.11192	1.4
187.14833	0.9
189.09113	10.0
189.12729	1.6
189.16167	0.4
190.04999	0.5
191.06979	1.1
191.08800	0.7
191.10590	2.4
195.08011	0.6
195.11725	1.0
197.08041	0.5
197.09700	1.3
197.13268	0.8
199.07600	0.9
199.11179	15.7
199.14864	1.2
201.09100	1.0
201.12799	1.0
203.07048	2.5
203.08878	0.7
203.10573	2.3
203.14328	0.6
205.08575	0.8
205.12328	0.7
207.10139	12.2
209.09763	0.5
209.11617	0.5
209.13387	1.0
211.07506	0.4
211.14932	1.0
213.09192	0.8
213.12746	1.9
215.06987	2.1
215.10745	0.8
217.08673	1.1
217.12250	7.1
219.08102	0.6
219.13824	0.9
221.09602	0.5
221.11604	0.7
223.11296	0.6
223.14929	0.4
225.11206	30.1
226.11613	0.6
227.10725	0.6
229.08656	1.0
231.08199	0.8
231.13741	0.5
233.07997	2.3
235.13319	1.9
237.12781	0.9
237.16397	0.7
241.08531	1.0
241.12291	0.8
245.11855	0.7
248.08353	0.7
249.11113	0.6
251.10561	0.7
251.18092	1.1
255.13809	0.8
255.17455	1.5
257.08051	2.2
259.07516	0.7
259.13345	1.1
267.12302	3.4
269.08047	0.8
269.15512	1.4
269.18982	1.4
271.09778	1.0
273.18726	0.7
275.09033	0.8
276.07962	0.5
279.10101	0.7
279.12698	0.5
279.17490	0.8
283.16858	0.6
287.16745	0.5
287.20071	1.4
291.10110	5.1
291.13107	0.7
292.10794	0.5
297.11087	0.6
297.18454	5.3
311.12729	2.3
313.18008	1.2
315.12207	0.8
315.19547	14.3
323.12711	4.0
331.19107	1.2
333.13492	1.3
333.20694	1.3
341.13867	4.3
341.21036	0.6
351.14291	0.7
357.20575	2.8
365.13669	0.6
369.20578	2.2
375.21683	1.2
378.24298	0.7
379.24655	0.9
393.20648	0.7
405.20325	1.1
411.22061	0.9
423.21649	3.7
441.22745	8.9
442.23267	0.6
449.24954	0.7
459.23840	3.9
575.59644	0.5
835.37756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.39
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	2.7
61.29667	1.0
65.03952	3.0
67.05503	21.8
67.75673	1.1
69.03434	20.5
69.07075	9.3
71.01358	1.9
71.04995	9.6
73.02912	3.3
74.51105	1.0
77.22336	1.0
79.05500	23.2
81.03419	31.9
81.07059	27.2
83.01347	2.8
83.04968	13.9
83.08628	3.2
85.02921	6.8
85.06542	1.7
90.33120	1.1
91.05483	30.9
93.03471	1.5
93.07050	41.8
95.04974	11.9
95.08607	31.5
96.08986	1.5
97.02896	38.0
97.06544	10.5
97.69203	1.3
98.03254	1.5
99.04443	7.7
99.08105	1.6
103.05502	4.1
105.07034	72.5
106.07346	1.7
107.04971	16.0
107.08599	58.9
109.02885	53.7
109.06522	16.7
109.10159	48.1
111.04448	46.9
111.08096	5.6
113.05975	2.7
115.03938	3.4
115.05448	4.6
117.07030	9.6
119.04961	3.5
119.08589	91.4
120.08889	2.3
121.02876	5.5
121.06515	13.3
121.10145	27.4
122.03680	1.5
122.42810	1.2
123.04425	10.4
123.08067	16.3
123.11719	9.9
125.06004	4.8
125.09630	7.7
127.03924	100.0
128.04231	1.2
128.06227	6.3
129.05524	2.2
129.07007	12.9
130.07831	2.1
131.04941	5.3
131.08571	15.6
133.06497	56.0
133.10132	59.4
134.10468	1.7
135.04443	1.6
135.08061	28.4
135.11682	11.8
137.05980	31.3
137.09613	9.2
139.03923	1.3
139.07526	3.2
141.05589	1.3
141.06987	3.1
142.07811	6.1
143.08571	25.9
145.05014	8.5
145.06465	6.8
145.10127	25.8
146.07260	1.9
147.04410	2.1
147.08046	37.3
147.11676	7.4
149.05977	3.4
149.09619	15.4
149.13240	1.6
151.03909	2.6
151.07562	3.8
151.11183	5.5
153.06961	1.3
155.08534	6.2
156.09340	5.2
157.06516	4.2
157.10132	21.2
158.10857	1.3
159.08034	7.0
159.11710	13.6
160.05263	2.2
161.05983	5.0
161.09621	41.3
161.13327	3.3
163.07541	5.6
163.11200	24.1
165.07019	4.0
165.09116	31.5
166.07784	5.5
167.07150	1.4
167.08519	2.2
167.10735	1.5
168.09335	1.7
169.10155	7.5
170.10875	2.9
171.08083	6.3
171.11707	19.4
172.12389	1.4
173.09628	8.3
173.13269	9.2
174.06863	1.3
175.07545	15.0
175.11162	7.6
175.14812	2.1
177.05453	2.7
177.09090	2.3
177.12796	2.0
179.10674	21.3
180.09380	1.4
181.10121	15.0
181.11737	1.6
181.12357	1.9
183.11633	7.6
184.08884	3.3
185.09636	28.3
185.13223	8.1
187.07565	11.3
187.11176	8.5
187.14760	4.2
189.09122	26.6
189.12779	5.6
189.16386	1.8
191.09160	1.3
191.10686	7.8
194.10962	1.4
195.11636	5.5
197.09656	4.4
197.13199	5.6
199.11186	55.3
199.14842	7.7
201.09152	2.8
201.12732	3.7
201.16351	1.7
203.10683	9.3
203.14313	2.3
205.08597	3.0
205.12234	3.2
205.15955	1.4
207.10153	33.8
207.11995	2.6
209.11600	2.2
209.13289	4.5
211.11253	2.5
211.14824	3.2
213.07436	1.4
213.09315	1.4
213.12762	6.3
213.16382	1.4
215.10611	3.1
217.08659	2.3
217.12233	27.7
219.08160	1.7
219.10037	1.7
219.11961	1.5
219.13802	5.2
222.14047	1.2
223.11133	2.1
223.14803	1.2
225.11217	82.8
226.11574	1.6
227.10684	2.1
227.14354	2.1
227.17947	3.1
231.08037	2.0
235.13327	4.5
237.12900	2.8
237.16452	4.0
239.10643	1.7
241.12202	3.5
241.19449	2.3
243.10164	1.9
245.11725	2.3
247.07710	1.4
248.08261	2.1
249.11108	1.9
251.12863	1.7
251.17960	5.2
253.15982	1.9
253.19434	1.3
255.13971	1.6
255.17482	4.9
259.13367	4.9
263.10608	2.1
267.12241	8.1
267.17392	2.8
269.19009	6.0
271.09601	2.7
271.17111	1.9
273.18430	2.7
279.10208	3.9
279.17389	6.2
287.17059	1.7
287.20053	8.3
291.10074	6.8
295.16858	3.3
297.13544	2.0
297.18494	25.1
311.12793	6.3
313.17957	6.8
315.19562	57.0
323.12845	9.2
325.14508	1.4
331.19073	7.6
333.13281	5.4
333.20554	5.2
341.13925	11.0
341.21072	2.0
351.14432	3.2
351.19659	3.5
357.13190	1.4
357.20627	9.1
369.20593	7.6
375.21616	3.5
381.20410	1.8
393.20908	2.3
395.21835	1.9
405.20428	5.7
411.21597	3.0
413.23669	2.0
423.21649	13.5
441.22754	33.0
457.22238	1.5
459.23889	12.9
477.24811	1.2
769.71313	1.4
835.38165	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	835.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20213	0.5
67.05505	4.4
69.03431	4.7
69.07072	1.0
69.95732	3.0
70.42244	0.5
71.04983	1.6
76.79263	0.5
77.03945	0.6
79.05504	6.7
81.03423	7.2
81.07053	4.0
83.04984	1.7
83.44213	0.6
85.02908	2.5
91.05487	8.8
93.07044	8.7
94.04173	0.5
95.04953	3.8
95.08611	6.5
97.02905	9.1
97.06519	0.7
99.04444	1.2
103.05470	51.0
105.04591	0.7
105.07033	29.6
107.04948	2.4
107.08596	9.9
109.02882	17.8
109.06510	2.9
109.10148	9.2
110.03241	0.6
111.04427	5.7
111.08075	1.6
114.56923	0.5
115.05452	4.3
117.07019	2.3
118.68909	0.5
119.04922	3.0
119.08578	20.0
121.02842	0.9
121.06525	2.7
121.10146	5.5
122.03616	0.7
123.04416	1.8
123.08096	3.9
123.11697	2.2
125.05957	0.7
125.09644	6.2
127.03918	20.4
128.04259	0.9
128.06232	1.7
129.07013	2.4
131.04932	100.0
131.08563	2.7
132.05240	1.1
133.02782	1.0
133.06496	19.8
133.10136	15.4
134.10510	0.6
135.08076	4.1
135.11679	1.7
137.05980	18.6
137.09608	2.3
138.06351	1.1
141.07001	1.5
142.07811	0.9
143.06091	1.4
143.08568	4.4
145.04962	1.7
145.06471	1.4
145.10117	4.0
146.07278	0.7
147.04430	5.4
147.08047	8.9
147.11671	2.0
149.05991	1.3
149.09622	2.0
151.03915	1.9
151.07556	1.8
151.11183	1.5
153.07037	0.9
156.09358	0.7
157.06522	1.3
157.10107	2.0
159.08086	1.6
159.11729	1.7
161.05989	32.0
161.09622	10.0
163.07555	25.9
163.11185	3.7
165.05455	0.7
165.06998	0.8
165.09123	9.8
166.07811	0.9
167.07123	1.2
169.06430	0.7
169.10146	1.1
171.08069	1.8
171.11684	2.3
173.09653	1.4
173.13234	0.9
175.07521	2.5
175.11130	0.6
179.07074	2.1
179.10684	8.0
181.10095	2.0
183.08131	0.6
185.09702	3.3
185.13234	0.9
187.07596	3.4
189.09128	8.5
189.12732	0.7
191.07057	2.0
191.08714	0.6
191.10695	1.6
197.05989	0.8
197.09622	0.8
197.13231	1.0
199.07544	1.2
199.11194	6.7
199.14896	1.1
201.09138	0.6
201.12830	0.6
203.07054	2.3
203.08710	1.3
203.10564	1.0
207.10144	10.3
207.11995	0.6
208.10416	0.8
209.11670	0.6
215.07045	2.1
215.10693	0.9
217.04904	0.8
217.08582	1.3
217.12175	4.4
221.07968	0.6
225.11206	28.0
226.11621	0.7
227.06979	0.7
229.08624	1.3
231.08203	1.1
233.08127	2.3
235.13319	1.1
239.07187	0.5
241.08624	0.5
251.10709	1.5
257.08142	3.4
259.07507	0.9
259.13290	0.7
265.12253	0.6
267.12137	3.2
269.08102	1.4
269.15448	1.0
275.09283	1.0
279.17432	0.9
287.19962	0.8
291.10229	4.8
297.10965	0.7
297.18393	2.7
311.12738	4.1
315.12555	0.9
315.19550	7.7
323.12946	2.9
331.19125	0.9
333.13547	1.5
338.12872	0.6
341.13834	5.1
351.14581	1.2
357.20694	2.1
359.14780	1.5
369.20724	0.8
375.21649	0.7
399.21368	0.6
405.20877	0.9
423.21820	2.0
441.22784	4.0
457.22095	1.0
459.23569	1.7
477.61609	0.7
509.83020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.0
65.23233	1.0
67.01860	1.7
67.05166	1.9
67.05503	23.8
68.99792	4.6
69.03427	15.3
69.07063	6.7
69.18420	1.0
70.82988	1.1
71.01345	1.4
71.04996	14.1
73.02912	1.4
79.05493	23.9
81.03420	29.6
81.07054	24.4
83.01318	1.2
83.04987	11.3
83.08609	3.6
85.02904	9.6
85.06501	1.4
86.61562	1.2
91.05480	32.7
93.07045	45.4
95.04961	15.3
95.08604	30.3
97.02893	39.2
97.06532	7.7
99.04462	8.9
99.08089	1.6
101.02396	1.6
103.05498	3.1
105.03438	1.4
105.04557	1.1
105.07031	63.7
107.04948	14.2
107.07858	2.1
107.08595	56.4
109.02882	47.5
109.06512	17.3
109.10159	57.0
111.03697	2.0
111.04442	32.0
111.08095	6.1
113.06004	6.3
115.03907	2.2
115.05462	4.9
117.07005	11.5
119.04943	2.4
119.08582	81.7
121.02903	6.9
121.06507	15.6
121.10144	21.7
123.04438	30.4
123.08069	15.4
123.11684	10.3
125.05984	4.1
125.09639	1.1
127.03921	87.5
128.06229	6.5
129.05472	1.4
129.07004	11.0
130.07825	2.3
131.08572	19.7
131.26604	1.3
133.06493	41.6
133.10130	61.8
135.04417	1.9
135.08060	34.1
135.11679	12.5
137.05972	7.8
137.09598	11.0
137.13300	2.2
139.03900	6.9
139.07535	2.5
141.05498	1.2
141.06996	3.4
142.07756	7.6
143.08554	23.3
144.09346	1.3
145.04962	6.7
145.06473	5.9
145.10121	22.1
146.07207	1.8
147.04410	14.7
147.08044	42.3
147.11681	9.9
149.02361	1.4
149.06010	2.8
149.09605	16.7
149.13362	1.1
151.03889	6.8
151.07549	9.2
151.11185	7.7
153.07008	1.9
155.03378	3.5
155.07303	1.4
155.08543	6.1
156.09354	6.3
157.06508	5.1
157.10129	16.1
159.08078	6.0
159.11708	10.8
161.05986	8.3
161.09619	42.7
161.13245	3.6
163.03955	6.0
163.07558	3.6
163.11194	22.0
165.05472	3.8
165.06963	3.4
165.09117	41.4
166.07777	8.1
167.07117	2.3
167.08604	3.2
169.05002	2.1
169.10089	6.4
170.10893	1.7
171.04385	2.2
171.08011	7.5
171.11691	17.7
173.05930	1.5
173.08115	2.9
173.09628	9.5
173.13251	6.9
175.03955	2.3
175.07570	9.8
175.11192	8.6
175.14731	1.3
177.05493	3.6
177.09143	1.7
177.12718	1.5
179.07071	22.0
179.08557	2.5
179.10674	28.2
181.04993	2.1
181.10126	17.6
181.12250	2.2
183.08105	1.5
183.11722	3.3
184.07315	1.4
184.08879	3.1
185.06087	1.3
185.09624	27.7
185.13249	6.3
187.07610	1.6
187.11198	6.5
187.14806	3.0
189.05501	13.0
189.09113	26.5
189.12764	4.6
191.03374	1.8
191.07034	3.1
191.10635	7.6
193.04967	11.5
193.08678	2.6
195.11717	3.6
197.08093	75.1
197.09540	4.3
197.13228	4.1
199.11180	57.6
199.14874	4.2
201.05457	2.4
201.09062	1.4
201.12741	2.9
203.07051	8.9
203.10683	8.9
203.14449	1.4
205.04936	1.6
205.12305	1.7
206.66162	1.4
207.10150	34.8
209.08160	3.2
209.11691	3.0
209.13295	3.0
211.11237	1.9
211.14803	4.2
213.05373	1.6
213.12830	5.2
213.16531	1.3
215.07101	1.9
215.08958	1.9
215.10724	2.8
217.04971	33.9
217.08389	1.4
217.12230	29.6
219.13873	3.1
221.08098	18.2
221.11559	1.7
223.11147	1.4
223.14957	2.4
225.11208	100.0
227.06831	1.5
227.10696	2.6
227.17848	1.6
231.10071	1.5
231.13789	2.4
233.08066	2.7
235.06000	16.8
235.09604	2.7
235.13098	7.6
237.12804	2.6
237.16422	3.9
239.09108	24.2
241.04991	5.8
241.08585	2.5
241.12280	3.1
245.08156	3.6
245.11763	2.7
249.11151	3.1
251.17888	3.3
253.07179	1.4
253.15918	2.5
255.17429	2.7
257.08063	2.0
259.06024	4.8
259.09607	2.5
259.13266	4.2
263.09143	22.6
267.12250	17.1
269.08130	2.5
269.19095	5.5
271.17017	1.8
273.18463	2.9
275.09088	6.1
277.14343	2.2
279.12393	2.1
279.17328	4.7
281.15369	2.1
283.05884	3.3
287.09100	12.1
287.16699	1.5
287.19873	5.9
293.10416	1.2
295.16891	2.3
297.13486	1.6
297.18491	22.7
301.07010	3.3
301.17990	1.5
305.10184	12.4
309.14774	1.2
309.18597	1.4
311.09329	1.4
311.12839	1.7
313.17984	4.9
315.19553	59.9
316.19916	1.9
323.11179	5.2
325.07080	2.6
329.10303	5.2
331.18997	6.7
333.13300	7.4
333.20764	8.5
341.12296	4.8
341.21033	2.9
351.14478	7.0
351.19278	2.7
357.20560	14.5
359.13394	4.0
367.18524	1.6
369.20642	13.8
371.11230	1.9
375.21634	8.5
377.20959	1.9
393.20569	4.1
395.22144	1.7
405.20535	7.3
411.21738	1.9
413.23398	1.5
423.21646	17.5
441.22723	51.2
442.23456	1.5
459.23785	27.2
460.24625	1.2
529.28088	1.8
543.86792	1.1
549.24469	2.3
610.23877	1.2
613.83380	1.3
835.42322	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	2.9
65.03950	2.1
67.05505	23.4
68.99796	3.9
69.03125	1.8
69.03433	20.1
69.07065	9.6
71.01340	2.7
71.04987	37.5
71.22980	3.4
72.05322	2.8
73.02917	19.0
77.03941	2.2
79.05495	18.1
81.02972	2.7
81.03416	29.7
81.07055	27.5
82.89639	1.6
83.04979	16.6
83.08611	3.6
84.96018	1.8
85.02425	2.8
85.02903	45.2
87.04449	2.7
91.05474	29.3
93.07046	42.9
95.04980	14.8
95.08045	2.7
95.08605	32.2
97.02282	3.2
97.02889	46.4
97.06528	9.5
98.97549	3.0
99.04450	12.9
103.05453	3.1
105.03362	1.8
105.07027	65.9
106.07497	1.6
107.04940	14.6
107.07866	2.7
107.08594	56.6
109.02879	47.2
109.06520	16.6
109.10150	57.3
111.04439	40.8
111.08080	6.9
113.05984	5.8
115.03892	4.4
115.05436	4.1
116.98625	4.0
117.07025	10.0
119.04925	4.2
119.08578	84.4
121.02882	6.9
121.06498	13.2
121.10149	26.2
123.04433	29.0
123.08066	15.1
123.11727	8.4
125.06006	4.5
125.09615	2.0
127.03915	100.0
128.06212	6.3
128.98593	2.3
129.05516	10.7
129.06989	13.4
130.07779	2.6
131.00182	3.1
131.04919	3.8
131.08566	17.6
133.04942	2.2
133.06488	39.3
133.10130	60.4
135.04427	2.9
135.08044	26.6
135.11652	11.7
137.05972	14.0
137.09622	12.5
137.13263	2.3
139.03912	7.7
139.07538	4.5
141.06995	3.3
142.07762	7.5
143.00148	1.6
143.08556	21.9
145.04968	6.0
145.06467	5.2
145.10114	24.3
146.07248	3.2
146.99654	2.9
147.04379	13.8
147.08040	40.9
147.11674	9.1
149.01202	3.4
149.05975	4.8
149.09633	17.2
151.03893	7.0
151.07568	9.8
151.11160	5.9
153.09113	2.2
155.03397	4.8
155.07083	1.8
155.08530	5.8
156.09331	3.9
157.06461	4.8
157.10133	17.3
158.07259	2.0
159.08058	4.4
159.11710	12.9
161.01154	3.0
161.06024	7.1
161.09610	38.7
161.13214	2.4
163.03883	13.5
163.07600	3.2
163.11159	22.9
163.70227	1.6
165.05429	5.1
165.06956	3.7
165.09117	34.2
166.07758	5.9
167.07050	4.6
167.08435	2.1
169.04984	2.6
169.10141	8.4
170.07193	2.0
170.99619	1.9
171.08058	6.5
171.11679	16.8
173.09666	7.6
173.13239	5.7
175.07603	11.3
175.11163	8.3
177.05434	4.8
177.09044	2.0
179.07071	23.0
179.10690	30.6
181.05032	2.3
181.10109	11.3
183.11636	3.8
184.08878	3.1
185.01271	2.8
185.05974	2.7
185.09615	25.8
185.13223	7.5
187.07339	1.9
187.11160	7.5
187.14755	3.5
189.00687	3.6
189.05565	9.8
189.09113	28.2
189.12735	6.1
189.16362	2.2
191.07022	3.1
191.10614	9.5
193.05003	11.4
193.08565	1.9
195.11661	4.9
197.08089	68.5
197.09557	3.7
197.13289	4.5
199.11182	49.3
199.14809	5.7
201.05540	2.0
201.09195	2.8
201.12801	3.5
203.02246	5.9
203.07004	9.6
203.10657	7.3
205.12234	4.4
207.10136	36.8
207.11971	2.7
209.08072	2.6
209.11624	2.5
209.13367	3.0
211.14830	2.9
213.05466	2.8
213.12743	4.7
217.04994	33.2
217.08504	1.8
217.12219	33.3
219.06401	2.0
219.13736	3.4
221.03302	3.1
221.08084	17.7
225.11194	95.8
225.16255	2.8
227.02579	1.8
227.07074	2.0
227.10739	2.0
227.17871	2.5
233.08009	2.2
235.05988	14.2
235.13297	6.4
237.16327	3.0
239.09038	24.2
241.04951	2.7
241.12233	2.6
241.19550	1.7
242.18910	1.9
245.03265	2.1
245.08061	3.6
249.11244	1.8
251.17947	3.3
253.15794	1.8
255.17447	3.5
257.07736	2.1
259.06015	5.8
259.09625	2.1
259.13287	3.9
263.09140	20.2
267.12259	17.5
269.08167	2.6
269.18930	5.0
273.18509	3.7
275.09164	3.6
277.14304	2.9
279.17224	3.4
283.05917	2.9
285.18286	2.5
287.09244	12.1
287.16711	2.9
287.20062	6.9
297.18463	22.0
299.08572	2.2
301.07037	2.9
305.10165	9.2
307.06094	1.6
307.09906	2.0
313.17926	6.8
315.19525	56.4
323.11206	5.0
329.10202	4.3
331.18893	5.5
333.13235	5.6
333.20529	11.3
341.12213	4.6
341.21179	2.8
351.14355	7.8
351.19324	3.1
353.10107	2.0
357.20670	14.4
359.13443	3.0
369.20599	12.0
371.10803	2.8
375.21848	10.3
381.20645	2.0
393.20584	3.4
395.22073	1.9
405.20703	5.2
411.21716	2.0
423.21686	19.7
441.22690	46.5
444.13770	6.5
444.64136	4.8
449.25266	3.0
459.23819	25.1
477.24371	2.5
549.24115	2.9
729.29565	1.7
803.33429	2.3
835.41559	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	835.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.2
67.05502	25.0
68.99784	3.2
69.03436	17.2
69.07063	4.6
69.95358	1.7
69.95676	9.7
70.57350	1.4
71.04988	15.4
73.02919	1.8
79.05494	22.7
81.03416	28.1
81.07049	27.8
83.04990	7.3
83.08614	3.4
85.02903	10.2
91.05478	32.7
93.07040	50.5
95.04960	14.8
95.08604	30.4
97.02888	34.8
97.06513	6.0
99.04445	11.0
103.05441	3.4
105.03421	2.3
105.07022	64.6
107.04939	19.0
107.07860	3.1
107.08588	57.9
109.02878	45.4
109.06534	16.3
109.10151	61.5
111.04434	21.0
111.08053	7.3
113.05975	4.8
115.03900	2.1
115.05443	5.1
117.07007	11.9
118.13979	1.6
119.04925	5.8
119.08575	79.5
120.05756	2.0
121.02850	7.2
121.06514	15.3
121.10130	22.8
122.15516	1.5
123.04427	32.0
123.08077	15.9
123.11710	7.6
125.05975	4.6
125.09514	1.5
127.03913	80.9
128.06224	6.1
129.07010	12.6
130.07787	3.3
131.04895	1.7
131.08566	16.4
133.06470	13.4
133.10123	60.1
135.04369	1.6
135.08038	35.3
135.11674	11.6
137.06006	7.7
137.09608	11.7
137.13277	2.0
139.03902	5.0
139.07518	2.2
141.07028	2.7
142.07755	6.5
143.06999	1.5
143.07405	1.8
143.08560	24.3
145.04977	4.2
145.06500	5.9
145.10114	22.2
146.07269	2.0
147.04388	15.5
147.08034	47.6
147.11714	9.4
149.05908	3.2
149.09628	15.1
151.03873	7.4
151.07550	7.2
151.11182	5.4
153.06920	2.5
155.03368	4.0
155.08537	4.4
156.09300	4.5
157.06470	6.3
157.10123	14.0
159.08055	7.1
159.11693	10.0
161.06007	8.5
161.09610	47.7
161.13211	2.0
163.03896	10.0
163.07545	3.2
163.11172	28.1
165.05458	4.1
165.06932	4.1
165.09100	41.1
166.07800	6.7
167.06902	1.8
169.04961	2.1
169.10097	5.9
171.08009	8.1
171.11687	14.4
173.08176	3.0
173.09634	8.1
173.13261	4.1
175.03905	3.1
175.07487	10.9
175.11183	8.8
177.05441	2.9
177.09106	2.0
179.07034	16.7
179.10660	27.3
181.04950	1.8
181.10133	16.5
181.11737	2.3
184.08862	2.1
185.05983	2.4
185.09604	28.7
185.13255	3.1
187.11217	7.4
189.05487	9.1
189.09122	35.3
189.12732	5.4
191.10721	9.0
193.04950	12.3
195.11691	3.4
197.08080	74.2
197.09491	3.4
197.13197	2.6
199.11168	72.2
199.14867	2.8
201.05569	2.1
201.12793	2.2
203.07103	10.0
203.10681	7.5
205.12233	1.8
207.10165	38.7
207.12042	2.9
209.08054	2.4
209.11673	3.1
211.11264	1.7
213.05418	3.1
213.09111	2.7
213.12747	2.8
215.07068	2.1
215.08937	1.9
215.10738	2.4
217.04977	29.5
217.12227	33.3
219.13829	1.7
221.08064	17.1
223.14919	2.0
225.11191	100.0
225.37152	1.5
235.05989	12.7
235.13217	9.3
239.09108	26.6
241.04941	5.0
245.08138	2.0
249.11160	3.3
253.06931	1.8
255.17400	2.4
259.05978	4.3
259.09763	1.8
259.13281	3.5
263.09106	21.6
267.12268	25.0
269.19034	5.4
273.18500	2.4
275.09299	3.2
277.14447	2.6
279.12173	3.0
283.05994	1.7
287.09164	9.3
297.13467	2.7
297.18494	12.7
299.09164	1.7
301.06992	2.1
305.10272	11.8
313.18008	1.7
315.19525	46.0
323.11255	5.2
329.10043	3.8
331.09991	2.2
333.13306	5.5
333.20425	3.6
341.12247	5.0
341.21002	3.7
351.14377	7.6
351.19083	2.8
357.20560	15.1
359.13373	3.9
369.20779	10.2
375.21606	7.8
378.24658	1.6
393.20453	4.2
395.22202	3.3
405.20831	5.3
413.23050	2.3
423.21637	19.7
441.16425	2.7
441.22684	47.5
459.23746	15.5
477.24939	3.8
582.61414	1.9
835.31885	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	1.1
67.05208	1.0
67.05505	10.1
69.03419	1.5
69.07067	6.8
71.04982	1.5
71.06705	1.6
79.05495	5.2
81.03394	1.3
81.07057	11.0
83.04984	99.0
83.08599	3.2
85.06541	2.6
91.05473	6.6
93.07047	10.8
93.90982	0.8
95.04973	2.1
95.08611	22.4
97.02908	1.1
97.06512	1.9
97.10148	1.4
97.46201	0.8
101.60011	0.8
105.07037	12.3
107.04944	2.2
107.08593	15.1
109.06526	1.7
109.10152	13.6
111.04454	11.9
111.08027	2.0
112.35547	0.9
117.07023	2.8
119.08582	42.0
121.06542	2.5
121.10147	10.1
123.11713	4.6
125.06001	1.4
126.51320	1.0
128.06186	1.4
129.07036	1.9
131.08568	7.6
133.10130	22.2
135.08015	3.1
135.11679	5.3
137.06018	1.0
137.09622	5.2
137.13206	1.4
141.06992	2.4
142.07809	1.2
143.08554	3.5
145.10149	12.8
147.08067	1.8
147.11690	11.3
149.13271	2.8
151.07607	1.5
151.11189	3.3
155.08537	3.0
157.10132	10.0
159.08073	1.4
159.11697	16.3
161.09636	1.7
161.13229	7.6
163.11223	1.3
163.14835	5.9
165.09094	1.4
169.10117	6.1
171.11682	7.7
173.09567	2.0
173.13248	6.8
175.14880	2.6
179.10646	1.5
181.12213	1.1
183.11728	5.5
185.09650	1.4
185.13245	4.6
187.07466	1.2
187.11176	3.2
187.14804	3.8
188.15564	1.0
189.16365	3.6
191.10687	2.7
195.11713	1.2
197.09700	1.8
197.13261	8.3
199.11163	3.0
199.14833	4.3
201.09076	1.0
201.12729	3.1
201.16373	5.3
203.10704	1.6
205.12231	3.4
205.15834	2.0
207.17403	1.8
211.11134	2.3
211.14810	4.2
213.12733	2.3
213.16399	2.6
215.10689	2.0
215.14392	1.3
217.12253	2.8
221.13202	1.9
223.14822	0.8
224.61606	0.9
225.12779	3.3
227.14299	1.0
229.12236	2.7
231.13777	1.9
237.16309	1.2
239.14294	3.9
239.17932	5.3
241.15900	1.2
243.13802	4.2
248.66547	1.2
253.19427	5.9
257.15363	3.9
257.19049	5.2
259.16925	4.6
263.17996	1.2
271.20465	3.4
273.18439	1.5
275.20010	6.2
281.19019	8.8
289.21555	2.3
299.20068	57.2
300.20435	4.7
317.21124	100.0
318.21426	1.5
399.25330	1.3
417.26578	1.4
475.32892	0.9
531.91962	0.9
657.28577	1.1
691.92786	1.1
704.77277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	0.4
65.71409	0.4
67.05509	2.4
69.03076	0.6
69.03430	8.3
69.07055	0.8
69.59880	1.7
69.60294	1.4
71.04990	1.7
73.02930	1.1
79.05492	5.2
81.03417	16.3
81.07060	6.3
83.01347	0.9
83.04981	0.9
83.08602	0.7
85.02900	1.9
87.74029	0.5
91.05479	8.2
93.07040	9.9
94.04203	0.8
95.04956	2.1
95.08603	5.3
97.02890	15.6
97.06519	0.6
99.04456	3.1
103.05482	1.0
105.03394	0.5
105.07027	17.3
107.04960	2.2
107.08595	11.8
109.02879	100.0
109.06508	7.1
109.10184	2.7
110.03191	0.4
111.04426	3.1
111.08086	4.7
113.06020	1.0
115.03954	0.8
115.05457	1.9
115.55830	0.4
117.07011	1.8
119.04958	0.5
119.08582	33.2
121.06517	2.8
121.10143	10.1
122.03656	2.7
123.04416	0.8
123.08075	10.5
123.11678	2.4
124.08828	1.5
125.09629	76.1
126.09931	0.8
127.03914	65.8
128.06219	1.6
129.06976	1.5
131.04893	0.6
131.08543	2.3
132.05688	0.9
133.06482	3.7
133.10127	26.5
135.08049	1.5
135.11691	3.0
137.05977	42.4
137.09598	3.2
139.03929	0.5
142.07726	0.5
143.08568	4.0
145.03915	0.5
145.04956	7.0
145.06448	1.5
145.10129	2.2
146.03648	0.6
146.07239	1.3
147.04378	1.0
147.08040	15.9
147.11719	0.7
148.08748	0.5
149.05951	1.8
149.09637	0.7
151.03990	0.7
151.07552	1.7
151.11165	3.1
155.04871	0.7
157.10170	1.0
159.08069	2.4
159.11734	0.9
160.05167	0.7
161.05978	6.1
161.09616	18.5
163.07549	1.1
163.11217	2.4
165.05354	0.4
165.09108	19.6
167.07112	0.9
169.06335	0.4
169.10088	0.5
171.07996	1.0
172.05170	0.6
173.06049	0.6
173.13268	0.6
174.06660	0.4
175.07549	7.5
175.11162	0.7
179.10664	14.0
183.11694	0.5
184.05240	0.5
187.07526	4.6
187.14801	0.6
189.09108	15.0
190.07831	1.2
191.08543	5.2
197.13275	0.5
199.05836	0.5
199.07475	3.0
202.07733	1.3
203.08534	1.7
203.10426	0.4
205.12213	0.6
207.10158	22.7
208.08722	0.7
213.12817	0.5
217.12152	0.4
218.07314	0.8
219.08066	7.6
219.13797	0.7
220.08807	1.4
225.11208	54.4
226.11592	1.0
227.14293	0.5
229.15825	0.8
231.08057	3.1
233.09564	1.0
233.11673	1.0
235.07497	0.9
236.08191	1.4
237.09105	0.7
243.12154	0.7
247.07538	3.8
248.08269	2.0
249.11200	1.0
251.10680	12.6
253.08446	0.6
253.16080	0.7
259.07526	1.9
260.08310	1.1
263.10699	1.9
264.07697	0.6
265.08514	0.8
267.10010	0.6
267.12289	6.4
267.17334	1.3
271.16934	2.0
276.07889	1.2
277.08493	0.8
279.10083	8.3
280.10794	0.7
281.07999	1.0
285.18518	2.0
287.12851	0.8
289.17960	2.6
291.10101	4.1
292.10831	0.7
295.09695	0.6
295.13187	0.9
295.16788	0.7
296.10406	1.0
297.10791	0.7
297.13669	0.8
303.19556	0.8
305.13889	0.5
308.10025	1.0
309.11237	0.6
311.12766	26.3
313.17972	2.9
315.12219	2.0
321.11053	0.6
323.12808	6.2
331.19028	15.1
332.19623	0.5
333.13470	5.7
335.12534	0.9
341.14020	1.2
347.12717	0.5
349.20090	10.5
351.14383	9.0
353.13831	0.8
367.21106	0.8
377.13669	0.7
391.21118	6.4
401.13904	4.2
411.21643	0.5
419.14716	1.8
421.22003	1.9
439.21024	1.8
457.22232	13.6
458.23026	0.5
465.99319	0.5
475.23361	9.2
493.24158	0.8
671.29865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86454	0.4
59.04980	0.9
60.49225	0.4
65.03934	0.7
67.01889	0.5
67.05495	2.6
69.03424	8.1
69.07066	1.3
69.61083	3.3
71.04989	2.2
73.02911	0.8
73.41939	0.4
77.03956	0.5
79.05488	6.4
81.03417	19.8
81.07053	7.5
83.01337	0.6
83.04980	1.8
83.08637	0.9
85.02911	2.4
85.06535	0.9
89.03935	1.1
91.05475	8.9
91.06003	0.7
93.07038	10.7
94.04205	1.3
94.22702	0.4
95.04436	0.5
95.04961	2.2
95.08006	0.4
95.08601	7.4
97.02888	18.1
97.06548	1.2
97.10164	0.4
98.20724	0.5
99.04427	4.1
103.05480	1.7
105.07031	16.6
107.04934	2.8
107.08588	13.1
109.02876	100.0
109.06518	7.1
109.10159	3.1
111.04446	3.7
111.08071	4.9
113.05983	0.6
115.03922	0.8
115.05454	1.3
117.03378	1.8
117.07016	2.5
118.03706	0.5
119.04982	1.0
119.08577	33.1
120.08909	0.6
121.06492	2.6
121.10153	10.2
122.03642	2.8
123.04462	0.6
123.08074	10.2
123.11691	2.8
124.08855	1.8
125.09627	75.5
126.09985	0.9
127.03912	63.3
128.04251	0.5
128.06210	1.8
129.07016	2.4
130.07730	0.6
131.04973	1.0
131.08571	1.1
132.05690	1.0
133.06488	2.6
133.10129	28.1
135.04411	1.6
135.08017	1.2
135.11688	3.8
137.05974	48.5
137.09578	4.4
138.06281	0.5
139.07570	0.6
141.07063	0.5
143.08554	4.3
144.05672	0.5
145.02895	2.9
145.04950	7.6
145.06456	1.7
145.10129	1.6
146.03246	1.0
146.07259	0.9
147.04436	1.7
147.08038	19.2
147.11768	0.5
147.16402	0.4
148.08815	0.6
149.06000	2.0
149.09621	1.0
151.03909	1.4
151.07536	1.9
151.11169	3.1
155.04927	0.8
156.05606	0.6
159.08052	1.9
159.11674	1.0
160.05220	1.2
161.05988	7.1
161.09619	20.0
162.10011	0.5
163.03902	8.3
163.07552	1.8
163.11205	2.7
164.04222	2.2
165.04340	0.5
165.09111	19.6
167.07030	1.6
169.10236	0.5
171.08064	1.6
171.11729	1.0
172.05132	0.8
173.06020	0.6
173.09587	0.8
173.13268	0.5
175.03683	1.2
175.07544	6.9
175.11183	0.8
177.05467	5.1
177.09045	0.9
178.05849	1.5
179.10664	16.0
180.11052	0.5
181.04893	0.9
181.12257	0.5
183.11734	0.7
184.05246	0.7
185.09633	0.6
187.07529	4.8
187.11238	0.7
189.09097	14.8
190.07803	1.1
191.08548	5.8
193.04958	0.9
199.07521	2.2
199.11177	0.8
202.07797	1.0
203.08585	2.1
203.10571	0.6
205.08475	0.6
207.10158	22.6
208.08766	0.7
209.09695	0.5
218.07323	1.2
219.08061	8.3
220.08762	1.7
221.09630	0.6
225.11206	47.7
226.11583	1.3
227.14339	0.5
229.15820	0.8
231.08043	3.5
232.08783	0.9
233.11717	0.7
233.15269	0.6
235.07487	0.7
236.08322	2.4
237.09167	0.6
247.07582	4.0
248.08360	1.8
249.11281	1.1
251.10646	12.0
252.11160	0.6
253.08517	0.8
253.15788	0.8
259.07516	2.9
260.08328	1.3
261.09125	1.0
263.07166	0.5
263.10687	1.3
264.07819	1.6
265.08569	0.7
267.12289	5.6
267.17334	0.6
269.11896	0.7
271.16998	2.2
273.03986	1.0
273.08923	0.5
274.04257	0.9
276.07751	1.5
277.08603	1.2
279.10123	7.8
279.12631	0.4
280.10828	0.9
281.08066	1.4
285.18521	1.8
287.05316	1.0
288.05762	0.5
289.17966	2.4
291.10153	4.9
292.10959	0.7
295.09479	0.5
295.13303	0.8
295.16763	1.0
296.10449	1.5
297.10800	0.7
297.13730	0.6
301.08475	0.6
302.03818	0.6
303.19598	1.1
308.10394	1.0
311.12766	25.4
312.13181	0.5
313.17902	2.3
315.04761	0.5
315.12292	1.9
316.05716	0.6
317.05972	0.4
321.11172	0.6
323.12762	7.3
331.19000	11.8
333.13354	4.8
335.12750	1.0
341.13895	1.6
349.20032	9.3
351.10461	0.7
351.14423	7.5
353.13876	1.5
357.13306	1.9
365.13953	0.5
367.21085	1.3
377.13879	0.5
391.21155	5.1
401.13818	3.3
409.22156	0.5
419.14832	1.6
421.22131	1.5
431.14560	0.5
439.21252	1.1
457.22168	11.1
470.60501	0.5
475.23282	7.4
749.32489	0.6
770.51953	0.4
833.29181	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62928	0.5
65.03936	1.4
66.42250	0.5
67.05515	3.0
69.03123	0.7
69.03433	7.2
69.07076	0.9
70.13264	0.5
71.04987	2.3
71.58276	0.9
75.31973	0.6
79.05488	5.3
81.03418	17.8
81.07055	8.7
81.53806	0.6
82.03732	0.7
83.01317	0.6
83.04981	1.3
83.08610	1.1
85.02903	1.9
89.03938	1.5
91.05478	10.4
93.07039	10.4
94.04189	1.2
95.04978	3.2
95.08611	5.3
97.02897	15.5
97.06547	0.6
99.04443	2.8
103.05480	1.5
105.07034	15.9
107.04953	2.2
107.08592	13.0
109.02879	100.0
109.06525	5.8
109.10152	3.1
110.03220	0.8
111.04429	2.6
111.08080	5.0
112.11205	0.6
113.02300	0.7
115.03922	0.7
115.05473	1.9
117.03397	2.3
117.07004	1.7
118.03734	0.7
119.04919	1.7
119.08583	30.7
121.06522	2.9
121.10146	9.4
122.03640	3.3
123.08071	8.3
123.11695	2.2
124.08874	1.1
125.05972	1.1
125.09628	75.9
127.03915	64.7
128.04251	0.9
128.06184	1.6
129.07019	1.9
131.04950	1.4
131.08548	2.2
133.06511	4.0
133.07393	0.9
133.10129	25.7
135.04408	2.7
135.08101	1.0
135.11674	4.1
137.05974	47.1
137.09605	3.4
143.04987	0.9
143.08527	4.6
144.05673	0.7
145.02875	4.4
145.04968	8.0
145.06461	1.4
145.10118	2.2
146.03221	1.6
146.07265	0.8
147.03375	0.7
147.04434	2.2
147.08034	14.6
149.05981	2.2
151.03839	1.5
151.07559	2.0
151.11191	3.3
153.01848	0.8
155.04883	1.1
157.10132	1.0
159.07962	1.4
159.11636	0.8
160.05156	0.9
161.05991	5.8
161.09610	16.3
163.03903	12.2
163.07523	2.1
163.11221	2.5
164.04256	3.6
165.04472	0.7
165.09106	19.9
167.07091	2.3
169.10146	0.7
171.08134	1.6
171.11710	0.8
173.05894	0.6
173.09633	0.8
175.03690	1.1
175.07578	6.5
177.05482	6.4
177.09087	0.7
178.05759	2.9
179.10669	13.4
181.04959	1.6
185.13242	0.6
187.07559	5.3
187.11194	0.7
189.09100	14.0
190.07843	1.2
191.06927	1.2
191.08527	6.2
193.04906	0.8
199.07510	3.0
202.07729	1.5
203.08670	1.5
203.10597	0.9
204.10216	1.1
207.08258	0.9
207.10144	24.7
208.08788	0.9
211.14920	0.7
218.07204	1.5
219.08051	9.1
219.13779	0.7
220.08723	1.2
225.11214	54.6
226.11682	0.9
229.15897	1.2
231.08116	2.5
232.08943	1.1
233.11749	0.7
235.07532	1.3
236.08385	1.4
243.12221	1.0
247.07552	4.3
248.08331	1.4
249.08900	1.1
249.11272	1.2
251.10681	12.5
253.08559	0.8
253.16042	1.2
259.07565	1.9
260.08426	1.4
261.09268	0.7
263.07172	0.7
263.10663	1.8
265.08597	1.2
267.12299	6.2
267.17371	1.0
271.16959	2.5
273.03992	1.6
274.04279	1.3
275.04550	0.7
276.07770	1.2
277.08640	1.4
279.10162	7.3
280.07608	0.8
285.18408	1.4
287.05478	0.8
288.05850	0.8
289.18057	2.7
291.10226	4.3
292.10941	0.9
295.09848	0.7
295.13474	1.0
295.17007	1.2
297.13586	1.2
298.37720	0.6
302.04074	1.2
303.19495	1.1
308.10538	0.8
309.11014	0.9
311.12775	27.7
313.10556	0.9
313.17987	2.9
315.12253	2.2
316.05603	0.7
317.06049	0.8
323.12820	7.9
327.12552	0.7
331.19031	13.0
333.13470	4.5
335.13007	0.8
341.13828	3.1
349.20142	9.5
351.14502	6.6
353.13947	1.5
357.13342	2.0
367.20874	0.9
377.14166	1.3
391.21048	6.5
401.13879	3.7
416.14795	1.2
419.14874	2.1
421.22177	2.0
439.21033	0.7
457.16452	1.1
457.22305	12.2
475.23273	9.4
833.28864	1.8
833.42633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	1.2
60.51026	0.8
65.03937	2.0
66.40953	0.8
66.73523	0.7
67.05508	11.4
68.96265	0.7
69.03436	12.1
69.07061	4.6
69.41317	7.0
69.82143	0.8
70.06597	1.3
71.01364	0.9
71.04987	2.7
79.05494	10.7
81.03416	17.7
81.07053	15.1
83.01363	1.0
83.04968	5.5
83.08605	2.3
85.02904	5.6
86.09647	0.8
89.03915	8.6
91.05478	16.9
93.03407	0.9
93.07045	21.5
95.04976	6.4
95.08607	16.5
97.02895	19.5
97.06547	4.2
99.04433	5.6
99.08095	0.8
103.05469	1.5
104.06274	0.9
105.07028	33.9
107.04942	6.6
107.08597	29.2
109.02882	40.5
109.06535	8.0
109.09457	1.6
109.10154	23.2
111.04447	19.1
111.08073	3.6
113.05979	0.8
115.03922	1.3
115.05487	1.1
117.03377	22.7
117.07030	5.5
119.04929	2.7
119.08582	43.6
121.02856	2.5
121.06509	6.5
121.10153	13.0
123.04432	4.3
123.05216	0.8
123.08061	9.4
123.11685	4.7
125.05985	2.7
125.09638	8.6
127.03919	56.5
128.06148	2.3
129.06996	5.4
130.07819	1.3
131.04941	2.4
131.08572	9.0
133.06494	20.0
133.10126	29.1
134.03629	1.0
135.04410	3.9
135.08052	16.0
135.11681	5.1
137.05986	2.5
137.09612	4.3
139.03891	0.9
139.07539	1.0
141.06963	2.5
142.07759	2.1
143.08557	11.9
144.09351	0.9
145.02846	58.4
145.04965	4.4
145.06483	3.5
145.10129	14.3
146.03227	1.0
146.07211	1.2
147.04420	4.4
147.08031	17.8
147.11696	5.2
149.06007	8.9
149.09602	7.5
151.07533	1.2
151.11180	3.0
153.06990	0.8
153.09117	0.8
155.08524	2.6
156.09370	3.7
157.06506	1.6
157.10127	10.3
158.06107	0.9
159.08061	3.1
159.11705	8.7
161.06009	1.3
161.09627	23.9
161.13245	2.1
162.03102	1.0
163.03941	7.8
163.07539	2.0
163.11212	13.2
165.06999	2.0
165.09111	17.2
166.07776	3.2
167.08540	1.5
169.10107	4.7
170.10767	1.0
171.08049	4.8
171.11699	9.8
173.09621	3.4
173.13295	5.0
175.07584	1.8
175.11172	2.6
175.14758	1.0
177.05469	100.0
179.10683	12.0
181.10103	7.9
182.10722	0.9
183.11688	2.6
184.12410	1.4
185.09610	12.2
185.13222	2.9
186.05531	2.5
187.11221	4.1
187.14816	2.2
189.09126	13.1
189.12701	2.2
191.07072	0.8
191.10681	3.1
193.12241	1.2
195.06419	0.9
195.11636	2.6
197.09647	1.8
197.13271	2.8
199.11188	25.7
199.13089	1.3
199.14786	4.3
201.05489	1.1
201.09134	1.0
201.12712	2.6
203.10646	3.4
203.14345	1.3
205.12169	1.2
207.10135	20.7
209.09567	1.4
209.11539	1.6
209.13251	2.3
211.11067	0.9
211.14777	1.9
213.12849	1.7
213.16321	1.0
215.10689	1.8
217.12230	14.9
217.15739	1.1
219.13794	2.2
221.04485	0.9
223.11237	1.0
225.11215	49.3
227.10786	0.9
227.14534	0.9
227.17973	1.6
229.12311	0.8
231.13814	0.9
235.13260	2.7
237.12805	0.9
237.16383	2.2
241.12184	1.1
241.19514	1.0
243.10054	0.8
243.12299	0.8
251.17932	2.9
253.15958	1.2
255.13525	0.9
255.17479	2.8
259.13260	1.8
261.07483	1.0
261.16263	0.9
267.12262	4.8
269.19031	4.3
273.18622	1.2
279.12308	0.8
279.17429	3.0
285.07535	3.1
287.20078	3.5
288.63226	0.8
295.16931	1.7
297.13467	1.1
297.18439	11.7
313.17947	4.7
315.19556	32.6
331.19028	5.5
333.13345	3.3
333.20615	4.2
334.22479	0.8
337.09161	4.0
339.10822	2.6
341.21109	0.9
349.20056	2.4
351.14432	3.8
351.19235	1.1
355.10220	1.4
357.20615	6.4
369.20764	4.2
375.21536	2.8
391.13538	1.1
391.20993	1.0
393.20477	1.2
395.22406	1.5
405.20630	1.8
411.21786	0.9
423.21628	7.6
439.21085	0.9
441.22751	17.5
457.22351	4.1
459.23761	8.5
475.23080	1.9
477.24652	3.1
639.28516	0.8
653.29309	4.8
699.50037	0.9
831.27606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.176
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01583	0.1
63.02103	0.1
63.02389	0.3
65.03945	0.2
67.05502	0.2
68.99805	0.1
69.03423	0.3
70.75887	0.3
77.03925	0.4
77.63657	0.1
79.05478	1.1
81.03423	0.1
81.07046	0.2
81.73916	0.1
83.04974	0.2
85.02888	1.0
89.03912	7.4
91.05472	0.3
93.03402	0.1
93.07033	0.2
95.04968	0.9
95.08588	0.4
97.02890	0.4
103.01143	0.1
105.03383	0.4
105.06997	0.3
107.04946	2.3
107.08591	0.3
109.02898	0.2
109.10138	0.2
111.04445	0.2
117.03370	7.6
118.03695	0.1
119.04902	0.1
119.08590	0.3
121.10153	0.2
123.04381	0.2
123.11715	0.1
124.05209	0.1
127.03952	0.3
131.08583	0.2
133.02841	0.9
133.10121	0.1
134.03607	0.6
135.04408	18.6
136.04759	0.2
137.02313	0.2
137.06012	0.1
139.03946	0.1
145.02835	12.6
145.10065	0.2
147.04376	0.2
147.11681	0.2
149.05917	0.2
151.03839	0.5
153.01817	1.8
157.10110	0.1
158.06006	0.2
159.11629	0.1
161.05954	0.1
161.13345	0.1
162.03163	0.2
163.03893	100.0
164.04228	1.0
171.04434	0.1
173.13324	0.6
175.14865	0.1
177.05463	1.8
177.16368	0.2
186.05420	0.6
187.14789	0.3
191.03397	0.2
199.03856	0.1
199.14803	0.2
201.16333	0.1
203.06989	0.1
203.18022	0.2
210.66681	0.1
215.17915	0.2
216.04185	0.6
217.04930	0.3
219.17578	0.1
227.03369	0.4
228.04089	0.1
229.04898	0.2
231.02890	0.1
243.02898	2.0
244.03648	4.2
245.04405	0.8
255.02890	3.0
256.03625	0.5
257.04489	0.2
259.06125	0.5
263.82748	0.1
269.04367	0.1
270.05267	0.1
272.03131	4.6
273.03857	1.2
274.04675	0.2
283.02371	0.5
285.03958	0.3
287.05475	56.0
288.05865	1.2
300.02682	0.2
301.03378	1.1
302.04269	0.5
303.05255	0.1
315.04956	25.7
316.05746	15.8
317.06491	3.1
318.07120	0.2
319.04489	0.2
319.08102	2.0
337.09109	0.6
405.37299	0.1
425.34033	0.2
435.32437	0.1
449.08853	0.2
453.33484	0.3
471.34692	0.3
477.01392	0.1
477.08182	1.9
497.10324	0.2
498.11591	0.4
499.12195	0.3
633.12024	0.4
651.13879	0.1
813.16534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86790	0.6
61.02930	6.6
66.37988	0.6
67.05506	7.7
68.24275	0.6
69.03429	4.3
69.07065	1.3
71.01333	0.7
71.04990	0.8
71.61340	0.8
73.02924	5.1
79.05489	5.3
81.03425	1.9
81.07063	7.3
83.05011	0.9
83.06859	0.7
83.08617	1.0
85.02917	6.8
91.03967	4.3
91.05484	3.8
93.07059	4.5
95.04969	1.5
95.08621	5.3
96.15864	0.8
97.02885	6.3
97.06563	0.8
99.04435	1.0
101.02384	3.6
103.03954	0.9
105.07048	2.6
107.08614	2.3
109.02870	1.3
109.10178	1.9
117.07063	1.1
119.08613	2.0
121.10155	1.6
127.03944	1.6
131.08540	1.7
133.10136	0.9
135.11682	1.1
145.10152	1.0
147.11642	0.7
165.62381	0.7
167.09645	0.7
185.04140	0.7
203.05351	0.7
243.08417	3.5
333.20346	4.7
335.25824	1.0
389.23260	0.9
458.85703	0.7
519.29266	9.9
551.27948	4.4
558.82703	0.9
713.42407	0.7
829.50690	100.0
830.50934	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	828.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06533	1.5
59.28379	1.4
60.01203	1.8
65.98348	1.6
67.05502	14.8
69.03443	1.4
69.07069	8.6
72.93782	2.0
77.87855	1.4
79.05489	8.7
79.46789	1.4
81.07056	15.1
83.04967	1.5
83.08611	5.8
86.09682	2.1
90.94829	2.2
91.05486	13.3
93.07044	19.2
94.07404	2.2
94.77059	1.4
95.04971	2.0
95.08605	65.7
96.08936	2.9
97.10162	3.2
105.07034	17.8
107.04966	1.8
107.08592	25.3
109.06522	1.9
109.10161	20.3
111.04456	3.7
117.07008	3.3
119.08579	29.1
121.10150	22.5
121.75040	1.6
122.10492	1.9
123.11718	8.4
125.05952	3.8
129.06973	3.6
131.08565	9.8
133.10139	19.2
135.11703	14.7
139.07654	2.3
143.08560	7.0
145.10094	14.5
147.11728	11.1
149.13240	6.0
151.07600	1.7
155.08566	2.4
156.09357	2.5
157.10133	10.1
159.11714	16.3
160.11916	1.9
161.09619	4.3
161.13281	9.1
163.07559	2.1
163.14844	2.4
165.09102	3.8
166.97905	4.6
169.10144	5.0
170.10854	1.9
171.11681	11.7
173.09641	4.4
173.13234	8.8
175.14835	4.2
179.10664	4.1
180.99504	5.1
182.97282	3.8
183.11694	3.1
184.07294	7.8
184.98935	5.5
185.13254	12.7
187.11206	8.6
187.14790	7.0
189.16379	1.9
191.10678	4.4
197.13225	1.5
199.00505	2.3
199.11153	3.3
199.14854	5.9
200.98466	3.4
201.12698	4.9
201.16399	5.7
203.10771	2.8
203.17950	5.5
205.12213	10.7
208.00537	1.9
211.14813	2.6
213.12740	6.1
215.14304	1.7
217.12274	4.5
219.13820	5.3
227.14346	3.7
231.13780	12.7
232.14293	1.9
239.17949	4.6
241.19560	2.7
245.15388	7.6
255.21115	13.8
257.22623	2.3
265.01617	8.2
265.19586	3.2
273.05707	6.9
275.07336	10.0
283.02698	10.4
283.20505	13.0
284.20874	2.6
297.12991	5.3
301.21631	74.0
302.22031	7.9
306.04248	3.1
309.12869	1.9
353.11951	2.3
371.16730	3.6
453.19110	4.2
454.19159	5.2
455.18820	100.0
456.19232	15.8
471.20224	1.8
473.19907	17.6
474.19687	4.2
496.21466	30.8
497.22052	3.7
523.74207	1.9
553.25171	2.9
554.24261	6.0
555.24091	57.2
556.24255	11.2
573.92297	1.7
596.26324	5.4
718.66730	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.8
63.30519	0.7
67.05504	4.5
69.03432	8.9
69.07076	4.1
69.64287	5.6
71.04987	2.7
71.08619	0.8
71.42772	0.6
73.02933	2.1
78.11787	0.8
79.05499	3.4
81.03432	4.1
81.07062	10.8
83.04980	1.7
83.08611	2.5
85.02910	53.1
85.06531	2.7
87.04462	0.8
91.03960	2.0
91.05481	5.6
93.07040	8.9
95.04967	1.1
95.08613	22.2
97.02891	15.8
97.06539	1.1
97.10175	1.4
99.04460	3.2
103.05451	0.8
105.07034	13.4
107.08592	18.4
109.02881	5.5
109.06522	2.0
109.10162	13.6
111.04404	1.0
111.08078	2.4
117.07068	1.0
119.08585	22.4
121.06504	2.7
121.10152	18.5
121.11031	1.1
123.08027	1.5
123.11699	5.3
127.03918	14.2
127.04802	1.2
128.06236	0.9
129.07100	1.0
131.08563	10.0
133.06454	1.0
133.10127	16.0
133.11082	1.2
135.08098	3.5
135.11690	8.9
137.06013	2.6
137.09593	1.4
137.13271	1.4
143.08585	1.9
145.04961	22.2
145.10130	20.3
147.08073	2.0
147.11696	11.7
149.09616	1.8
149.13272	9.4
151.14890	0.9
153.09129	2.5
157.10156	3.1
158.10954	1.1
159.11681	10.4
161.05960	1.1
161.09644	3.9
161.13266	12.5
163.06084	6.1
163.07416	1.4
163.11229	3.0
163.14812	12.2
171.11684	2.5
172.12486	1.7
173.11823	1.0
173.13251	12.4
175.11288	1.1
175.14842	13.1
177.05537	1.1
177.09044	1.0
177.12694	0.8
177.16388	15.3
177.17818	1.3
179.10750	1.2
179.14323	1.7
183.11752	1.8
185.13293	5.5
187.14825	38.0
189.12822	3.8
189.16374	21.1
191.14336	6.7
191.17964	4.7
193.08641	1.2
193.12192	0.8
193.15912	1.3
197.13242	0.7
199.14745	4.6
201.16388	20.1
202.16753	1.0
203.14337	3.3
203.17972	27.7
205.15918	11.9
205.19571	1.1
207.13812	1.7
209.15356	0.9
213.16435	3.2
215.14406	1.3
215.17955	5.5
217.15921	2.4
217.19586	1.0
219.13797	1.2
219.17450	2.5
221.15381	1.9
223.16982	2.5
225.11243	0.9
225.16344	1.2
227.17990	2.5
229.16014	0.9
229.19504	5.2
231.17467	1.7
233.15390	1.4
235.13313	0.9
235.17055	4.4
239.18001	1.1
241.19516	1.2
243.17557	2.6
247.17003	5.9
249.18527	2.4
259.16885	0.8
261.18442	4.8
263.20096	2.2
271.08066	1.0
275.20120	2.2
309.25620	0.7
325.11267	1.2
337.29077	1.3
369.27954	0.9
375.30826	3.8
377.32010	3.7
393.31555	14.5
393.36298	1.5
395.33112	10.5
411.32617	16.1
413.34036	8.4
421.31018	11.4
423.32678	2.8
439.32083	26.7
440.32309	1.2
457.33163	100.0
458.33383	3.7
467.31805	1.8
485.32486	1.7
627.91400	0.7
661.62030	1.1
683.64105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84911	0.3
69.07047	0.4
71.05012	0.5
71.31210	0.4
71.58220	0.7
81.07050	1.3
93.07063	2.2
106.70036	0.4
107.08588	2.8
109.10204	0.5
120.96648	1.2
133.10106	0.6
135.11696	2.5
153.12770	0.9
156.97519	2.4
174.98561	3.8
210.01523	0.5
211.12978	0.4
223.02216	1.1
227.01781	0.6
236.94250	1.0
241.03255	1.3
248.03081	0.5
249.03693	0.6
254.95146	2.2
267.04913	0.6
273.07333	7.0
291.08359	46.4
292.08707	1.6
309.09488	44.0
310.09665	1.8
314.10065	0.9
332.11081	2.4
371.05133	4.0
389.06128	18.9
390.06357	0.7
407.07184	3.6
425.19412	0.5
443.20502	1.1
523.17291	3.1
541.18121	6.5
559.19232	100.0
560.19464	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	825.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20719	0.4
59.05002	0.4
65.03930	0.5
67.05178	0.5
67.05509	6.6
69.03426	7.2
69.07061	1.5
69.69951	2.6
70.93468	0.4
71.04997	0.6
71.31318	0.4
76.45470	0.4
79.05067	0.4
79.05501	6.4
81.03418	2.7
81.07063	8.8
83.04975	1.1
83.08601	1.1
83.14312	0.4
83.63076	0.4
85.02909	2.1
91.05480	8.0
93.06472	0.8
93.07046	12.6
95.04977	2.1
95.08044	0.7
95.08607	8.8
97.02895	9.4
97.06549	2.2
99.04479	0.5
99.08054	0.4
105.06297	0.5
105.07030	13.3
107.04961	1.7
107.08597	19.7
109.02136	0.5
109.02876	8.4
109.06522	5.6
109.10159	22.3
111.04422	2.3
111.08067	2.8
113.06000	0.4
115.03985	0.5
115.05452	0.5
117.07026	3.0
119.04920	0.8
119.08587	28.5
120.08874	0.5
121.06511	5.8
121.10147	8.5
123.04457	0.5
123.08069	5.4
123.11672	2.8
125.06010	1.0
125.09637	17.9
125.10550	0.9
127.03907	5.3
128.06239	1.0
129.07011	0.9
130.07762	0.5
131.08568	3.3
133.06509	1.9
133.10133	23.7
135.08058	14.1
135.09100	0.4
135.11699	3.6
135.51411	0.4
137.05988	1.1
137.09627	3.4
137.13226	0.7
139.07549	1.2
143.08554	4.8
145.06467	0.5
145.10135	4.7
146.07314	0.5
147.06937	0.8
147.08055	14.0
147.11650	1.2
148.08740	0.5
149.05974	0.7
149.09613	4.9
151.11183	2.8
153.09099	0.6
157.10146	2.5
159.11646	2.6
161.08284	0.9
161.09628	17.8
161.13260	1.0
163.03915	0.5
163.07541	0.6
163.11211	2.7
165.09120	19.8
169.10159	0.9
171.11754	2.0
173.09683	0.6
173.13300	0.9
175.11189	0.8
179.10683	15.4
181.10106	0.5
181.12254	0.5
183.11702	0.8
185.09543	0.6
185.13263	0.7
187.11201	1.6
187.14771	0.5
189.09105	14.8
197.13303	1.2
199.11166	1.0
199.14842	1.0
201.12720	0.6
203.10739	0.7
205.12247	1.0
207.10167	28.9
208.10464	0.5
209.13379	0.7
211.14854	1.0
213.12746	0.5
213.30707	0.5
215.07089	0.4
217.12227	1.2
217.15814	0.5
219.13885	0.9
221.11760	0.5
225.11221	100.0
226.11545	0.9
231.08569	0.8
231.13925	0.5
241.12225	0.7
241.19522	0.6
243.12190	0.8
243.36378	0.5
245.11736	0.6
248.12714	0.4
251.17899	0.9
255.17415	1.2
259.09711	0.9
259.13019	0.5
266.13983	1.2
269.19061	1.4
271.16916	0.4
273.18515	2.0
279.17426	1.4
287.20026	2.9
291.12274	1.8
297.18515	8.5
315.19556	42.6
316.19855	0.5
331.19000	1.8
333.13467	5.0
333.20590	6.3
349.20056	3.7
369.15564	3.3
459.23990	1.2
477.24905	7.5
477.31516	0.6
505.41876	0.4
646.61816	0.5
825.38904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	0.7
67.05505	5.4
69.03074	0.8
69.03426	11.7
69.07073	2.5
71.05006	1.1
71.19717	1.5
79.05487	4.7
81.03412	5.2
81.07059	8.7
83.04972	1.3
83.08608	1.2
85.02911	4.0
85.06548	0.9
91.05481	7.3
93.07047	13.4
95.04970	3.1
95.08609	14.0
97.02894	14.7
97.06531	1.9
99.04451	1.8
99.08133	0.6
103.05491	0.7
105.07030	19.3
107.04964	1.5
107.08599	17.6
109.02872	10.2
109.06518	8.5
109.10152	5.6
109.56927	0.5
111.04468	3.7
111.08083	8.0
113.05994	1.2
116.37901	0.6
117.07011	2.1
119.04973	0.9
119.08582	36.7
121.06521	4.7
121.10143	24.4
123.04433	1.0
123.08075	18.3
123.11716	3.6
125.09628	100.0
126.09948	0.8
127.03922	15.2
129.07002	0.9
130.07788	0.8
131.08560	2.2
133.06499	4.1
133.10129	33.4
135.08017	2.1
135.11705	5.6
137.05997	1.7
137.09621	6.2
139.07562	0.8
139.95879	0.5
143.08560	5.6
145.04944	0.7
145.06491	0.9
145.10159	3.9
147.08044	19.8
147.11702	1.3
148.08746	0.6
149.09619	1.0
149.13231	0.6
151.07565	4.9
151.11179	4.8
155.08514	0.6
157.10150	2.0
158.10831	0.6
159.08043	0.7
159.11705	2.3
161.09616	24.6
161.13326	0.6
163.07576	1.6
163.11191	4.4
165.09120	28.2
167.10651	0.8
169.10229	0.7
171.08084	1.8
171.11662	1.8
173.09596	1.7
173.13214	1.5
175.11189	2.3
177.09036	0.8
179.09084	1.1
179.10675	21.9
181.12285	1.1
183.11676	1.5
185.09566	0.8
185.13303	1.3
187.11154	1.5
187.14856	0.6
189.09109	19.9
191.10715	0.9
197.13191	0.7
199.11171	1.1
199.14865	0.7
201.12741	0.9
207.10168	38.8
208.10635	0.8
211.15024	0.7
213.12714	0.8
215.10677	0.6
215.14386	0.7
219.13788	0.7
225.11211	86.1
226.11586	1.1
227.14357	1.0
229.12302	0.9
229.15915	2.2
231.13782	0.9
243.12038	0.7
243.17468	1.5
249.16486	0.7
253.15826	2.0
259.09506	0.9
266.13739	0.9
267.17520	0.9
269.18851	0.8
271.16956	6.2
285.18448	3.0
289.14954	1.0
289.17993	10.9
291.12231	0.8
295.16809	2.1
303.19647	2.8
313.18039	7.2
331.19034	68.8
332.19318	1.3
333.13522	3.2
349.20096	25.0
351.14365	2.0
367.21109	2.0
369.15472	4.1
372.21692	1.3
415.21091	2.3
457.22180	3.5
475.23178	7.6
493.24329	41.9
494.24487	1.5
554.29388	0.6
779.68811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	1.4
65.03936	0.8
67.05507	4.6
69.03426	11.8
69.07069	2.0
69.87007	2.0
69.87420	1.4
71.05000	1.3
73.02908	0.7
79.05490	6.2
81.03422	6.4
81.07055	9.4
83.04982	2.3
83.08613	1.1
85.02930	3.0
85.06529	1.1
88.79295	0.6
91.05482	8.8
93.07040	14.7
95.04951	3.1
95.08601	12.1
95.09163	1.1
97.02892	15.2
97.06517	1.9
98.21402	0.9
99.04449	2.1
105.07032	18.5
107.04978	2.6
107.08595	16.7
109.02882	10.1
109.06509	7.4
109.10167	4.9
111.04430	4.0
111.08086	7.2
113.06065	0.8
115.03976	0.6
117.07009	2.2
119.08582	36.6
121.06509	4.4
121.10146	23.5
123.04425	0.9
123.08065	16.1
123.11714	3.9
124.08862	1.1
124.24758	0.7
125.06004	1.5
125.09631	100.0
126.09957	0.7
127.03928	14.9
128.06200	0.8
129.07027	0.7
131.08522	2.9
133.06508	3.6
133.10127	33.0
135.08040	1.5
135.11678	5.2
137.05977	2.1
137.09604	5.0
139.07535	0.9
143.08553	4.9
145.06450	1.1
145.10106	3.9
146.07262	0.6
147.08046	19.2
147.11674	1.6
149.05965	0.9
149.09601	1.7
151.07573	5.1
151.11174	4.0
155.08545	0.9
157.10123	2.4
158.11017	0.7
159.11687	2.4
161.09613	25.6
161.13321	0.9
163.07576	1.7
163.11229	4.0
165.09116	28.1
169.10112	1.4
171.01982	0.6
171.08066	1.1
171.11710	2.2
173.09622	1.7
173.13258	2.1
175.11157	2.4
175.14799	0.9
179.10670	21.3
181.12248	1.5
183.11705	1.9
185.09723	1.0
185.13286	1.1
186.10106	0.6
187.11107	1.1
187.14792	0.7
189.07385	1.0
189.09111	18.0
189.12791	0.9
190.09393	0.6
192.59363	0.6
197.13254	0.7
199.11137	1.2
201.12646	1.0
205.12184	0.7
207.10164	36.0
209.13319	0.8
211.11108	1.2
211.14876	1.1
213.12741	0.7
215.14336	0.6
217.12309	0.9
219.13928	0.8
225.11214	83.3
226.11565	1.6
229.12239	0.8
229.15897	2.6
233.15411	0.7
243.12169	1.1
243.17384	1.2
249.16330	0.9
253.15857	2.0
255.17450	0.8
266.13919	1.0
267.17444	1.8
269.18951	1.2
271.16995	4.6
285.18408	2.8
289.14890	1.2
289.17953	10.5
291.12405	1.0
295.17029	1.7
297.18332	0.7
297.38773	0.6
303.19708	2.8
313.17941	7.0
315.19553	1.9
316.95584	0.6
331.19040	63.5
332.19354	1.7
333.13266	2.2
349.20078	25.0
351.14441	2.3
367.20963	2.1
369.15424	2.8
372.21671	1.2
391.21140	0.7
415.21228	1.2
457.22037	2.6
475.23325	6.6
488.73334	0.6
493.24344	40.3
528.73138	0.7
718.12708	0.6
825.41577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	0.8
61.02918	0.5
65.03938	1.1
67.05166	0.5
67.05506	7.0
69.03070	0.7
69.03430	11.2
69.07064	2.2
70.64078	0.8
70.64447	0.8
71.04988	0.6
79.05496	7.6
81.03427	3.9
81.07057	10.1
83.01324	0.4
83.04980	2.0
83.08603	0.8
85.02914	3.3
85.06537	0.7
87.18140	0.4
90.00485	0.4
91.05479	9.5
93.07042	15.4
93.62889	0.3
95.04961	3.1
95.08606	12.0
97.02277	0.7
97.02895	12.2
97.06517	1.8
97.10167	0.5
99.04452	1.3
103.05456	0.8
105.07029	20.9
107.04954	2.3
107.08595	23.6
109.02120	0.5
109.02876	10.4
109.06524	7.5
109.10155	19.4
111.04448	5.0
111.08080	5.6
113.06010	1.2
115.03948	0.5
115.05458	0.7
117.07026	2.4
119.04971	0.6
119.08581	38.1
120.08880	0.5
121.06493	5.3
121.10143	17.8
123.04408	1.0
123.08074	11.6
123.08799	0.2
123.11719	4.2
125.05988	1.2
125.09629	58.8
126.09978	0.4
127.03915	11.0
128.06204	0.7
129.06981	1.0
130.07779	0.9
131.08566	3.9
133.06511	6.4
133.10130	32.7
135.08052	10.9
135.11688	5.6
137.05997	1.5
137.09621	4.6
137.13268	0.6
139.07535	1.4
142.07767	0.5
143.08553	5.7
145.04938	0.7
145.06505	0.9
145.10118	5.1
146.07303	0.8
147.08049	18.1
147.11679	1.6
148.08551	0.3
149.05937	0.6
149.09604	4.2
151.07549	2.3
151.11200	4.1
153.09076	0.8
155.08528	0.9
156.09370	0.7
157.10115	3.3
159.08044	0.9
159.11713	4.5
161.09619	23.1
161.13271	0.9
162.09903	0.4
163.07574	1.3
163.11188	4.6
165.09111	26.9
167.10684	0.9
169.10095	1.9
170.10934	0.6
171.08032	1.2
171.11697	2.6
173.09590	1.4
173.13268	2.4
175.07550	0.4
175.11124	2.2
177.12746	0.5
179.10678	19.5
181.10014	0.8
181.12273	0.7
183.11719	1.5
185.09607	1.5
185.13245	1.7
187.07532	0.4
187.11252	2.1
187.14818	1.2
189.09106	18.7
189.16359	0.4
191.10701	1.0
195.11707	1.4
197.09644	0.7
197.13237	1.7
199.11168	1.4
199.14832	2.3
201.09215	0.4
201.12776	1.2
203.10625	1.3
203.14375	0.5
205.12259	1.2
207.10167	35.6
209.11690	0.9
209.13319	1.0
211.14833	1.3
213.12680	1.0
215.10715	0.8
217.12256	1.5
219.13821	0.9
223.11153	0.4
225.11214	100.0
226.11514	1.1
227.10628	0.6
227.14417	0.7
227.17996	1.2
229.15866	1.5
231.08565	0.5
235.14810	0.5
237.16367	0.9
241.12367	0.6
241.19536	0.5
243.12230	0.6
243.17346	0.7
245.11717	0.4
251.17986	1.0
253.15883	1.0
255.17436	1.5
266.14014	1.0
267.17764	0.4
269.18997	2.3
271.16888	2.7
273.18509	2.0
279.17432	1.1
285.18536	1.7
287.20013	3.8
289.17960	4.5
291.12274	1.6
295.16837	1.1
297.18466	7.4
303.19482	1.1
313.17999	3.0
315.19556	34.1
316.20059	0.4
316.58331	0.4
331.19034	32.0
332.19492	0.4
333.13470	3.5
333.20578	5.2
339.19928	0.5
339.30585	0.3
349.20093	12.6
351.14404	1.0
367.21478	0.9
369.15536	2.9
415.20914	0.8
435.11176	0.4
457.22324	1.7
459.23724	1.0
475.23331	3.0
477.18115	0.6
477.24808	7.3
493.24356	17.9
789.33862	0.4
848.94647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	1.0
59.93406	0.3
65.03915	1.0
66.49886	0.3
67.05177	0.5
67.05502	7.7
69.03081	0.5
69.03429	8.5
69.07060	2.0
71.04997	0.4
73.02901	0.5
78.36427	0.4
79.05061	0.5
79.05494	8.2
81.03416	3.5
81.07058	10.2
83.04963	1.5
83.08601	0.9
85.02897	2.9
85.06560	0.5
88.30846	0.3
91.05479	10.4
93.07043	17.1
95.04958	3.3
95.08607	11.3
97.02282	0.6
97.02894	11.2
97.06520	2.6
97.10140	0.6
98.20750	0.6
99.04431	1.0
103.05481	0.4
104.06260	0.4
105.03372	0.4
105.07027	17.2
107.04955	2.0
107.08594	25.0
109.02878	9.4
109.06520	7.0
109.10152	26.7
111.04444	4.7
111.08085	3.6
113.05995	1.0
115.05471	0.7
117.07020	2.7
119.04891	0.7
119.08580	34.2
121.06513	5.7
121.09312	0.6
121.10143	11.0
123.04456	0.8
123.08076	7.0
123.11707	3.8
125.05968	1.3
125.09629	23.9
127.02968	0.5
127.03911	7.0
128.06194	1.1
129.06995	1.3
130.07730	0.7
131.08562	5.0
132.05714	0.4
133.06496	6.1
133.10129	27.0
134.10413	0.4
135.08049	16.4
135.11682	5.3
137.05943	1.6
137.09598	4.3
137.13205	1.1
138.11194	0.4
139.07516	1.2
142.07768	0.6
143.08560	5.5
144.09286	0.7
145.04941	0.5
145.06483	1.1
145.10107	5.9
146.07239	0.5
147.08044	15.1
147.09221	0.8
147.11697	1.8
149.06000	1.0
149.09625	6.6
149.13229	0.5
151.07535	0.9
151.11182	3.8
153.09079	0.8
153.60089	0.3
155.05904	0.4
155.08574	1.1
156.09360	0.6
157.10129	3.3
159.08081	0.7
159.11693	5.9
161.09613	18.3
161.13239	1.1
163.07568	0.8
163.11171	4.8
165.09105	21.9
169.10164	1.3
171.08014	0.8
171.11703	2.7
173.09612	1.3
173.13274	1.8
175.11150	1.1
175.14777	0.8
177.09119	0.5
177.12787	0.8
179.10670	17.6
181.10178	0.4
181.12233	1.3
183.11697	1.2
185.09612	1.7
185.13246	1.6
187.11186	2.0
187.14792	1.0
189.09108	14.4
191.10612	1.1
193.09967	0.5
195.11746	1.4
197.09720	0.7
197.13258	1.5
199.11209	1.7
199.14876	2.1
200.15575	0.4
201.12799	0.8
203.10658	1.0
205.12230	1.2
207.10162	30.0
208.10553	0.5
209.11656	0.9
209.13345	0.6
211.11172	0.5
211.14738	1.7
213.16507	0.6
213.68683	0.4
215.10718	0.6
217.12257	1.1
217.15910	0.5
219.13791	1.1
223.11206	0.5
225.11212	100.0
226.11485	1.6
227.17882	1.1
231.08640	0.9
235.14909	0.6
237.12708	0.7
237.16402	0.9
241.12321	1.0
241.19563	0.6
243.12309	1.0
251.17998	1.4
253.19572	0.5
255.17484	2.6
259.13419	0.8
261.16339	0.4
266.13867	1.1
269.18903	2.1
273.18472	3.1
279.17432	1.6
285.18393	0.7
287.16791	0.6
287.20032	5.2
291.12244	2.1
297.18484	11.2
313.17950	0.5
315.19543	52.8
316.19873	1.3
331.19260	1.9
333.13379	4.1
333.20572	8.3
349.20163	5.4
351.14520	0.9
356.22183	0.5
369.15530	2.8
459.23798	1.5
477.24829	10.5
803.02209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80024	2.0
65.03934	2.3
67.05499	13.5
69.03422	18.3
69.07060	5.8
69.55374	1.6
69.55671	18.4
71.01347	1.6
71.04987	3.4
71.29736	1.9
71.94306	2.4
79.05488	17.3
81.03417	21.2
81.07054	21.0
83.04990	11.2
83.08604	4.6
85.02900	5.5
90.59233	1.9
91.05474	22.0
93.07046	30.1
95.04961	8.4
95.08608	27.4
97.02905	26.9
97.06532	8.6
98.20750	4.1
99.04459	5.8
105.07030	42.8
107.04937	6.5
107.08592	38.6
109.02882	67.5
109.06525	11.7
109.10162	31.5
111.04454	25.4
111.08059	7.8
113.06021	3.2
115.05482	1.8
117.07032	7.6
119.04953	2.1
119.08582	67.4
121.02882	2.1
121.06501	10.0
121.10131	23.0
121.93160	2.2
123.04414	3.9
123.08060	14.8
123.11699	9.0
125.09625	67.3
127.03917	81.6
128.06209	5.0
129.07013	5.5
131.08560	14.0
133.06500	35.1
133.10130	48.2
135.08005	13.8
135.11728	12.1
137.05986	6.7
137.09634	9.1
139.07555	1.9
142.07803	3.9
143.08548	12.3
145.04958	8.4
145.06444	3.6
145.10109	16.6
147.08044	32.3
147.11671	7.1
149.05991	2.3
149.09602	9.9
151.11183	7.5
155.08603	2.7
156.09363	2.5
157.10106	12.9
159.08066	3.1
159.11694	10.2
161.09619	36.8
161.13277	5.6
163.07500	2.9
163.09915	2.9
163.11150	14.7
165.09116	32.8
166.07874	2.9
169.10185	3.1
171.08043	4.5
171.11652	10.4
173.09636	5.1
173.13297	5.2
175.11195	6.2
175.66354	2.1
179.10680	25.1
181.10133	5.3
183.11731	6.1
185.09605	12.4
185.13237	4.8
187.11246	4.7
187.14839	3.5
189.09073	26.4
189.12825	4.5
191.10645	3.4
197.09682	3.9
197.13242	5.4
199.11197	25.2
199.14821	3.9
201.12689	3.8
203.10631	2.7
207.10167	39.3
209.13332	2.7
213.12741	2.8
215.10643	2.7
217.12265	12.1
225.11220	100.0
227.17978	2.6
251.17865	3.5
255.13692	2.7
255.17477	2.8
259.83228	2.2
267.12350	6.8
269.19016	4.4
273.18536	2.9
287.20041	3.3
295.16888	6.6
297.18460	20.5
313.18097	10.3
315.16214	4.0
315.19583	41.0
331.19025	18.8
333.13321	6.0
333.20609	7.6
349.20108	23.1
351.14340	9.5
357.20749	6.8
369.20697	2.8
375.21698	3.6
391.21100	4.0
423.21753	7.0
441.22885	21.0
457.22324	9.9
459.23730	11.1
475.23312	9.4
493.24231	4.7
608.27185	2.1
825.39191	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	824.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	1.4
61.02927	3.4
65.03949	4.9
67.05508	95.6
69.03432	6.9
69.07072	30.1
69.07452	1.4
70.63862	1.8
71.01348	1.0
71.05002	5.9
71.08637	1.3
77.03948	1.5
79.05498	70.4
80.05824	1.1
81.03436	8.6
81.07061	100.0
83.04983	12.2
83.08621	15.3
85.02917	6.1
85.06556	4.7
91.03983	1.2
91.05482	53.4
93.07047	79.8
94.07348	1.0
95.04980	13.7
95.08612	60.5
97.02921	4.3
97.06537	10.4
97.10168	5.3
99.04501	1.5
99.08080	4.1
101.73895	0.8
103.05474	0.9
103.79275	0.8
104.42959	0.9
105.04513	2.1
105.07034	43.2
107.04953	5.9
107.08600	44.5
109.02928	1.0
109.06531	6.0
109.10157	26.1
111.04475	2.2
111.08105	5.7
113.09660	1.7
115.05444	2.3
116.35881	0.8
117.07021	17.8
119.08585	37.0
121.06506	3.6
121.10156	30.9
123.08093	5.3
123.11726	7.4
125.09669	3.2
127.03926	3.3
128.06224	1.8
129.05547	1.4
129.07027	7.6
130.07784	1.0
131.08569	27.7
131.09511	1.9
133.06541	1.3
133.10135	26.7
135.08041	4.2
135.11702	18.1
137.09648	3.0
137.13283	1.6
141.06985	2.0
143.08565	6.7
145.10133	17.5
147.11691	14.2
149.09604	6.1
149.13264	11.5
151.11183	1.1
155.08556	1.2
157.10141	6.6
159.11714	17.4
161.09663	2.2
161.13245	6.9
163.11183	4.9
163.14857	2.9
165.12810	1.7
168.77672	0.8
169.10170	3.3
171.11696	5.6
173.04463	1.7
173.11856	1.5
173.13278	9.3
175.11194	1.7
175.14880	3.0
177.12791	3.6
179.14371	1.1
181.12241	1.4
183.11696	2.2
185.13268	5.4
187.14761	2.3
189.11258	1.4
191.14351	1.0
195.13834	2.2
197.13240	2.4
199.14885	3.1
201.16451	1.5
203.14397	1.7
213.16553	1.2
217.15932	2.4
219.17487	2.5
227.12825	2.5
229.14265	6.3
229.19533	1.5
235.16954	1.5
239.17978	2.9
243.21077	2.1
255.15881	5.1
257.18970	6.9
259.20557	1.8
261.22211	10.9
267.15948	2.0
269.17468	17.2
275.20047	17.4
276.20447	1.0
283.19156	1.0
291.19531	2.3
293.21274	1.4
309.20584	7.6
317.24756	3.0
331.22623	2.7
333.24405	2.0
335.25818	74.3
336.26096	2.2
349.23773	16.0
367.24817	2.9
453.24298	1.0
489.35858	3.4
511.37601	1.0
515.37555	9.7
529.38892	44.2
530.39178	1.7
535.41815	1.3
543.40118	1.4
543.76318	1.0
555.40228	1.3
569.33997	1.5
569.42133	19.5
609.45166	19.8
627.46478	5.8
628.46173	1.3
660.65509	1.0
765.71143	1.0
858.51312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69453	0.3
65.03937	3.0
66.20438	0.3
67.05511	1.6
68.02600	0.4
68.99794	0.3
69.03439	1.6
69.52715	0.8
69.53114	2.4
70.06613	0.3
70.80347	0.3
71.04997	0.4
75.04501	1.7
76.65382	0.3
77.03923	0.5
78.04719	1.2
79.05495	3.8
79.52943	0.3
81.03424	1.6
81.07059	1.0
82.04207	0.4
83.05000	0.4
83.69264	0.3
85.02901	5.4
89.03935	0.8
89.06040	0.4
91.05478	8.4
92.05803	0.3
93.03419	5.7
93.07047	3.1
95.01334	0.4
95.04972	4.6
97.02884	1.6
97.06546	2.4
102.04633	0.6
103.05471	13.0
105.03395	1.2
105.04466	0.5
105.07043	4.6
106.03448	0.8
106.04167	11.6
106.04862	0.7
107.04955	6.8
107.08610	0.4
109.02863	0.7
109.06503	1.6
110.03682	0.8
111.04438	1.5
115.05454	3.3
117.03336	0.6
117.07008	3.0
118.04129	2.1
119.04942	4.7
119.08613	0.5
121.06508	14.5
122.03664	0.4
123.04446	2.5
123.08080	0.5
124.05202	1.4
125.06001	5.4
125.09618	0.5
127.03914	0.9
128.06204	0.6
129.07004	0.8
130.04163	0.9
131.04922	12.2
131.08601	0.8
132.05704	1.0
133.02853	1.1
133.06488	6.6
134.03644	2.1
135.04413	1.3
135.08054	1.0
136.18687	0.4
137.05972	4.1
138.03122	0.5
138.06775	0.4
139.03899	0.4
139.07564	1.8
140.04762	0.3
141.06982	0.6
142.02638	1.1
143.04916	1.1
144.05682	1.3
145.02844	1.2
145.04929	0.5
145.06485	3.8
146.03654	0.7
146.07187	0.7
147.03224	0.5
147.04405	10.8
147.08037	1.4
148.05223	6.2
149.05984	24.4
151.03903	1.8
151.07541	1.8
152.04691	1.3
153.05490	2.7
153.06679	0.4
153.09102	6.4
155.06021	0.4
155.07108	0.6
156.05670	0.4
157.06525	0.7
159.04384	0.6
159.08066	1.4
160.05145	0.6
161.05983	5.8
162.07741	0.6
163.03911	1.7
163.07541	13.8
165.05531	0.9
165.09062	0.6
166.06212	0.7
167.07045	33.4
168.07330	0.4
171.06583	2.2
172.05182	0.4
173.06029	3.9
174.06737	0.4
175.07555	2.3
176.04723	2.2
177.05475	15.4
177.08949	0.5
179.07025	0.9
181.04967	42.3
181.08562	12.9
187.07510	1.7
189.05464	0.7
189.09129	1.0
190.06232	0.9
191.07033	50.1
192.07568	1.0
193.04951	0.6
193.08609	3.8
195.06525	2.8
195.08064	0.5
197.07944	0.4
201.05365	0.8
202.06226	0.5
203.06987	1.8
205.08557	2.5
207.06479	1.2
207.08220	0.8
207.10181	1.5
209.08090	100.0
210.08478	0.8
217.08672	2.1
219.08244	0.7
219.10170	2.8
221.05952	0.5
221.07985	0.5
225.07539	0.7
229.08572	0.8
233.08061	3.1
235.07497	1.1
235.09656	2.6
236.08188	0.5
237.09093	0.7
238.06102	0.5
241.08673	0.3
245.08020	1.0
247.07538	0.8
247.87210	0.4
248.08253	0.4
251.06779	0.5
251.09109	0.5
263.09167	14.0
265.08536	0.7
265.11115	0.4
267.10132	2.0
269.08044	0.4
279.10141	0.6
280.07339	0.7
281.08173	0.8
283.09766	0.5
286.69873	0.3
292.07227	0.6
293.08002	0.7
295.09521	0.9
297.11102	0.9
298.08362	0.3
298.46472	0.4
307.09637	0.9
309.07419	0.5
323.09064	0.6
325.07245	0.4
325.10712	1.2
329.13760	0.5
331.11835	0.5
335.09106	0.4
337.10614	0.4
338.03604	0.4
339.12286	0.7
340.12637	0.4
353.10117	0.7
355.11716	0.6
357.13278	3.3
359.14969	0.6
367.11768	0.9
369.13260	0.8
385.12781	5.8
387.14285	0.9
399.14334	2.1
417.15445	20.2
418.15659	0.5
521.39630	0.4
577.20795	0.4
609.23389	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.9
67.05506	47.9
69.03424	6.2
69.07091	25.1
71.30667	10.3
79.05108	4.1
79.05499	36.8
81.07069	33.6
83.08624	8.0
84.17713	3.5
91.05481	27.0
93.07051	33.6
95.04971	4.1
95.08615	29.7
97.02923	7.5
97.10159	14.1
105.07040	14.1
107.04938	6.0
107.08588	16.8
109.10162	12.5
115.51624	3.7
117.07056	6.2
119.08582	13.5
121.06458	4.7
121.10135	12.8
125.09612	8.2
131.08557	13.1
133.10118	5.7
135.08112	4.1
135.11699	7.5
136.83131	4.4
145.10153	9.2
147.08031	6.9
147.11610	6.5
149.13220	5.4
223.13281	19.6
227.12688	5.9
261.22244	5.5
273.18436	15.9
291.19568	100.0
335.25830	77.6
340.03833	4.3
365.23297	60.3
514.49683	5.7
545.38330	6.1
625.44739	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69453	0.3
65.03937	3.0
66.20438	0.3
67.05511	1.6
68.02600	0.4
68.99794	0.3
69.03439	1.6
69.52715	0.8
69.53114	2.4
70.06613	0.3
70.80347	0.3
71.04997	0.4
75.04501	1.7
76.65382	0.3
77.03923	0.5
78.04719	1.2
79.05495	3.8
79.52943	0.3
81.03424	1.6
81.07059	1.0
82.04207	0.4
83.05000	0.4
83.69264	0.3
85.02901	5.4
89.03935	0.8
89.06040	0.4
91.05478	8.4
92.05803	0.3
93.03419	5.7
93.07047	3.1
95.01334	0.4
95.04972	4.6
97.02884	1.6
97.06546	2.4
102.04633	0.6
103.05471	13.0
105.03395	1.2
105.04466	0.5
105.07043	4.6
106.03448	0.8
106.04167	11.6
106.04862	0.7
107.04955	6.8
107.08610	0.4
109.02863	0.7
109.06503	1.6
110.03682	0.8
111.04438	1.5
115.05454	3.3
117.03336	0.6
117.07008	3.0
118.04129	2.1
119.04942	4.7
119.08613	0.5
121.06508	14.5
122.03664	0.4
123.04446	2.5
123.08080	0.5
124.05202	1.4
125.06001	5.4
125.09618	0.5
127.03914	0.9
128.06204	0.6
129.07004	0.8
130.04163	0.9
131.04922	12.2
131.08601	0.8
132.05704	1.0
133.02853	1.1
133.06488	6.6
134.03644	2.1
135.04413	1.3
135.08054	1.0
136.18687	0.4
137.05972	4.1
138.03122	0.5
138.06775	0.4
139.03899	0.4
139.07564	1.8
140.04762	0.3
141.06982	0.6
142.02638	1.1
143.04916	1.1
144.05682	1.3
145.02844	1.2
145.04929	0.5
145.06485	3.8
146.03654	0.7
146.07187	0.7
147.03224	0.5
147.04405	10.8
147.08037	1.4
148.05223	6.2
149.05984	24.4
151.03903	1.8
151.07541	1.8
152.04691	1.3
153.05490	2.7
153.06679	0.4
153.09102	6.4
155.06021	0.4
155.07108	0.6
156.05670	0.4
157.06525	0.7
159.04384	0.6
159.08066	1.4
160.05145	0.6
161.05983	5.8
162.07741	0.6
163.03911	1.7
163.07541	13.8
165.05531	0.9
165.09062	0.6
166.06212	0.7
167.07045	33.4
168.07330	0.4
171.06583	2.2
172.05182	0.4
173.06029	3.9
174.06737	0.4
175.07555	2.3
176.04723	2.2
177.05475	15.4
177.08949	0.5
179.07025	0.9
181.04967	42.3
181.08562	12.9
187.07510	1.7
189.05464	0.7
189.09129	1.0
190.06232	0.9
191.07033	50.1
192.07568	1.0
193.04951	0.6
193.08609	3.8
195.06525	2.8
195.08064	0.5
197.07944	0.4
201.05365	0.8
202.06226	0.5
203.06987	1.8
205.08557	2.5
207.06479	1.2
207.08220	0.8
207.10181	1.5
209.08090	100.0
210.08478	0.8
217.08672	2.1
219.08244	0.7
219.10170	2.8
221.05952	0.5
221.07985	0.5
225.07539	0.7
229.08572	0.8
233.08061	3.1
235.07497	1.1
235.09656	2.6
236.08188	0.5
237.09093	0.7
238.06102	0.5
241.08673	0.3
245.08020	1.0
247.07538	0.8
247.87210	0.4
248.08253	0.4
251.06779	0.5
251.09109	0.5
263.09167	14.0
265.08536	0.7
265.11115	0.4
267.10132	2.0
269.08044	0.4
279.10141	0.6
280.07339	0.7
281.08173	0.8
283.09766	0.5
286.69873	0.3
292.07227	0.6
293.08002	0.7
295.09521	0.9
297.11102	0.9
298.08362	0.3
298.46472	0.4
307.09637	0.9
309.07419	0.5
323.09064	0.6
325.07245	0.4
325.10712	1.2
329.13760	0.5
331.11835	0.5
335.09106	0.4
337.10614	0.4
338.03604	0.4
339.12286	0.7
340.12637	0.4
353.10117	0.7
355.11716	0.6
357.13278	3.3
359.14969	0.6
367.11768	0.9
369.13260	0.8
385.12781	5.8
387.14285	0.9
399.14334	2.1
417.15445	20.2
418.15659	0.5
521.39630	0.4
577.20795	0.4
609.23389	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	18.6
59.04998	1.4
61.02925	67.6
65.03939	1.7
67.05505	27.2
69.03429	27.5
69.07069	7.2
71.01341	3.3
71.04989	3.5
71.59422	0.7
73.02917	20.4
73.59198	0.6
75.04463	1.5
79.05057	1.2
79.05493	17.1
81.03416	20.5
81.07053	28.7
83.01342	0.8
83.04986	4.5
83.08617	3.3
85.02903	100.0
85.06546	0.6
87.04484	3.7
88.43063	0.7
91.03953	55.8
91.05475	10.7
93.07039	23.1
95.04955	4.6
95.08606	22.9
97.02888	74.1
97.06511	1.7
97.10186	1.8
99.04448	13.7
99.08076	0.8
101.02367	5.4
103.03928	11.3
105.07024	7.8
107.04989	1.4
107.08595	14.0
108.98359	0.6
109.02876	10.6
109.06512	2.8
109.10152	8.9
111.04469	4.5
113.06013	0.6
113.09675	0.7
115.03936	6.0
115.05407	0.7
117.05507	2.4
117.07020	3.8
119.07776	1.1
119.08572	9.7
119.99638	0.6
121.06490	0.9
121.10138	11.7
123.04372	0.8
123.08066	1.4
123.11716	5.2
125.09631	1.2
127.03915	39.0
128.06239	0.9
129.05476	3.6
129.07019	2.7
130.26373	0.5
130.97333	0.6
131.08559	8.4
133.10136	6.6
135.08070	1.0
135.11691	7.4
137.06020	1.2
137.09654	1.4
137.13264	1.6
139.03918	1.1
141.05521	0.7
143.08572	2.4
145.04955	32.7
145.10091	6.0
147.06447	0.8
147.08035	1.1
147.11696	5.9
149.09639	1.1
149.13274	6.1
151.11185	0.6
151.14880	0.6
151.35359	0.8
155.07091	0.8
155.08493	0.9
157.08910	0.7
157.10159	2.5
159.06519	2.4
159.07979	0.8
159.11688	5.9
161.09705	0.6
161.13260	4.1
163.03960	1.3
163.06013	20.3
163.07401	1.1
163.11186	0.7
163.14848	3.1
165.12741	0.7
169.10092	0.8
171.06548	2.3
171.11716	2.2
173.13275	5.2
175.11198	1.0
175.14864	2.2
177.12886	0.7
177.16327	0.8
179.14311	0.7
181.04916	0.7
183.06523	9.8
183.08006	0.8
183.11726	0.8
185.13274	2.1
187.11151	0.8
187.14813	3.2
189.12817	0.9
191.14398	0.7
195.11684	0.8
197.13210	1.4
199.14943	1.0
201.07581	6.0
201.16400	1.7
205.15808	1.0
213.12814	0.6
213.16472	0.9
219.08549	1.2
229.07280	0.8
241.07047	0.9
241.19597	1.4
243.21112	5.4
259.20566	3.4
261.22156	16.3
263.23663	0.9
271.08310	1.1
271.20499	1.1
273.21985	1.0
275.23764	0.7
277.21713	1.1
279.23334	1.1
285.22119	2.2
289.21609	0.9
291.23227	0.9
297.22043	0.8
299.23740	0.9
301.21747	1.7
303.23318	2.7
309.22174	0.7
315.23157	1.7
317.24887	0.8
323.23734	1.2
325.21515	0.7
327.23230	2.3
333.24335	1.8
335.25787	57.7
341.24777	1.4
345.24243	2.3
351.23071	3.1
353.26984	2.5
363.25128	3.4
365.26904	0.9
369.24307	3.8
375.25549	0.8
377.26935	4.8
387.25186	2.9
389.27206	0.9
393.26370	0.8
401.26572	0.9
405.26266	3.1
419.27792	1.8
425.26962	0.9
431.28058	1.1
443.27872	5.0
458.74475	0.6
461.29050	7.2
479.30090	12.9
497.31259	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	821.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
57.07103	0.5
59.05004	0.8
62.77453	0.3
63.02394	0.5
65.03934	0.7
67.05502	2.1
69.03429	8.3
69.07076	1.3
71.05001	2.1
73.02921	0.9
79.05491	3.7
81.03422	19.6
81.07058	5.8
83.01337	0.9
83.04992	1.0
83.08583	0.5
85.02922	2.3
87.04462	0.4
89.03910	3.8
91.05484	6.7
93.07045	8.9
95.01353	0.4
95.04978	2.4
95.08609	6.3
97.02898	17.5
97.06531	1.2
98.21508	1.0
99.04453	5.1
102.53940	0.4
103.05450	0.8
105.03399	0.5
105.07036	14.2
107.04946	1.8
107.08597	13.9
109.02882	100.0
109.06516	6.0
109.10175	3.0
110.03214	0.9
111.04446	2.4
111.08097	4.8
113.06024	0.9
115.03968	1.0
115.05457	0.5
117.03381	14.1
117.05536	0.5
117.07015	1.4
119.04951	0.7
119.08580	29.2
120.08112	0.5
120.08913	0.5
121.06523	2.8
121.10149	10.1
123.04435	0.9
123.08078	9.9
123.11705	3.5
124.05232	0.4
124.08858	1.6
125.09632	72.6
126.09972	1.0
127.03921	67.0
128.04243	0.6
128.06212	0.7
129.06943	0.8
131.04900	0.7
131.08527	1.2
133.06514	2.1
133.10136	26.1
134.03645	1.0
134.10408	0.6
135.04451	1.1
135.08060	1.4
135.11731	3.1
137.06004	1.6
137.09621	4.6
139.07477	0.9
141.07021	0.5
143.08549	4.0
145.02849	38.7
145.04892	7.3
145.06374	0.9
145.10121	2.1
146.07280	0.7
147.04430	0.9
147.08051	16.7
147.09233	0.9
147.11699	0.5
148.08600	0.5
149.05981	5.7
149.09608	1.2
151.03934	0.7
151.07542	1.7
151.11176	3.5
152.90941	0.4
157.10152	1.1
159.08147	0.5
159.11708	0.8
161.09619	18.3
163.03955	1.1
163.07516	0.9
163.11162	2.5
165.05440	0.7
165.09117	19.1
167.07031	2.1
169.10063	0.5
171.08014	1.1
171.11707	1.0
173.09647	0.9
173.13147	0.7
175.03825	0.4
175.07539	0.5
175.11119	0.9
177.05476	68.4
178.05809	1.4
179.10683	17.3
181.04936	0.9
181.12297	0.4
183.11752	1.1
186.05522	1.5
187.14774	0.6
189.05467	0.6
189.09113	16.2
191.06989	0.5
191.10597	0.5
193.04915	0.6
193.08699	0.6
195.06546	0.8
197.13214	0.4
199.11150	0.6
199.14865	0.7
203.10809	0.5
205.08644	0.6
207.10167	23.5
208.10574	0.4
215.10677	0.5
225.11221	43.0
226.11534	1.0
229.15858	0.8
233.11711	1.2
249.11299	1.0
253.15813	0.7
267.06577	0.8
267.12222	4.4
267.17419	0.9
271.16983	1.9
285.07507	1.4
285.18460	1.7
289.17996	2.9
293.10202	3.9
295.16986	1.1
297.13458	1.0
303.19702	1.3
311.11288	5.9
313.17990	3.1
315.12262	2.6
331.19061	13.8
333.13327	6.9
349.20105	16.9
350.20322	0.6
351.14389	10.3
367.21133	1.1
387.14294	0.4
391.21198	9.1
409.21927	0.6
421.22211	2.6
439.21243	3.0
457.22235	29.5
458.22409	0.8
475.23294	23.2
476.23309	1.0
493.24313	4.1
517.89478	0.4
657.48645	0.5
669.28546	1.4
785.34705	1.9
789.27344	0.6
803.33893	0.8
821.44696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.5
59.05010	0.7
65.03931	0.9
67.05504	2.9
69.03426	9.0
69.07062	2.1
71.04991	2.6
71.11937	1.1
73.02901	0.8
78.04701	1.0
79.05499	5.2
81.03417	21.4
81.07059	6.0
83.01341	1.2
83.04983	1.7
83.08603	0.9
85.02920	3.6
85.06523	0.7
89.03923	4.2
91.05479	9.5
93.07052	9.7
94.06445	0.5
95.04956	2.9
95.05476	0.4
95.08614	5.8
97.02892	16.9
97.06512	1.4
99.04433	4.0
103.05461	1.3
105.07034	15.9
106.04150	0.6
107.04954	3.7
107.08591	13.3
107.40089	0.6
109.02880	100.0
109.06510	7.0
109.10155	4.0
110.03196	1.0
111.04453	2.8
111.08062	5.6
113.05982	0.9
115.05447	1.3
117.03388	15.7
117.04224	0.9
117.07010	1.9
119.04900	1.2
119.08580	32.4
120.00477	0.5
121.06505	4.1
121.09306	1.0
121.10141	12.9
123.04430	1.5
123.08070	11.0
123.11680	3.3
124.08820	1.1
125.05991	0.9
125.09628	70.9
126.09991	1.0
127.03917	68.5
128.04225	1.1
128.06212	0.8
129.06984	1.1
130.07777	0.8
131.04884	1.1
131.08540	1.8
133.06525	2.7
133.10130	29.3
134.03644	1.1
134.10463	0.9
135.04388	2.0
135.08041	1.6
135.11717	3.5
137.05968	4.7
137.09612	3.8
143.08560	4.9
145.02850	48.7
145.04950	8.7
145.06454	1.8
145.10118	2.4
146.03197	1.5
146.07289	1.0
147.04381	1.8
147.08044	16.9
147.09218	0.8
148.08540	0.6
149.05984	7.6
149.09573	1.2
151.03908	0.6
151.07524	2.7
151.11189	3.9
155.08582	0.6
157.10123	1.6
158.06042	0.6
159.08093	0.9
159.11638	0.7
161.05966	1.3
161.09624	19.5
161.80441	0.6
162.05443	1.6
162.10037	0.7
163.03909	2.5
163.07527	1.5
163.11183	3.6
165.05418	1.0
165.09117	19.1
167.07048	7.3
171.08025	0.9
171.11748	0.9
173.05998	1.7
173.09596	0.8
175.11185	1.0
176.04755	0.5
177.05469	94.9
178.05820	2.7
179.10677	17.0
181.04939	5.5
186.05492	2.3
187.11203	0.6
187.14760	0.6
189.09113	17.9
191.07007	2.2
191.10625	0.6
193.04964	0.9
203.10736	0.8
207.10170	24.8
209.08076	0.9
217.08560	0.8
219.06419	0.9
221.04408	1.3
225.11223	41.8
226.11385	0.9
229.15907	1.1
233.08163	1.0
233.11691	0.9
234.08820	1.0
235.09430	0.7
236.49576	0.5
237.11214	0.8
243.17416	0.7
249.11263	1.4
253.15886	0.8
255.11150	0.7
256.11691	0.5
267.06503	0.8
267.12329	4.9
267.17377	0.7
269.12418	0.9
271.16937	1.9
285.07446	3.6
285.18518	0.9
289.17947	2.6
293.10269	3.1
295.16934	0.7
297.13452	0.6
299.13940	3.6
303.19562	1.0
311.11261	1.7
313.11728	0.6
313.18198	2.6
315.12366	2.9
317.20926	0.8
329.12289	0.7
331.15482	1.0
331.19073	14.1
333.13339	7.8
334.13519	0.7
349.20047	14.8
351.14371	9.5
361.14059	0.8
367.20898	0.8
385.12585	1.1
391.21115	9.6
409.22314	0.6
416.14532	1.5
417.15585	0.6
421.22202	3.0
439.20844	2.4
457.22220	26.3
458.22360	1.4
459.23813	0.6
475.23276	19.6
476.23444	1.1
489.17487	1.2
493.24637	2.9
536.92310	0.6
573.25122	1.2
573.75928	0.7
595.21783	3.9
596.20862	0.8
627.24066	1.1
669.29224	7.0
785.33643	1.2
803.34332	1.1
821.30670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.04984	0.4
65.03924	0.8
67.01842	0.4
67.05508	2.7
68.08071	0.4
69.03433	8.0
69.07066	1.3
71.04993	2.7
71.58738	1.0
77.17073	0.5
79.05484	4.7
81.03423	16.8
81.07059	7.5
83.01326	1.2
83.04980	1.2
83.08604	0.6
85.02914	1.3
85.06530	0.9
89.03886	0.5
91.05482	9.7
92.05829	0.8
93.07051	10.2
95.04989	2.2
95.08607	6.1
97.02897	15.7
97.06554	1.0
99.04450	3.8
103.05479	1.2
105.07033	14.5
107.04961	1.8
107.08599	13.3
109.02883	100.0
109.06526	7.0
109.10160	4.0
110.03198	0.7
111.04469	2.8
111.08080	4.2
112.11251	1.5
113.06007	1.3
115.04003	0.6
115.05456	0.5
117.03371	0.7
117.07035	1.4
118.97536	0.4
119.04983	3.3
119.08585	30.5
120.05237	0.6
121.06525	3.4
121.10149	10.2
123.04426	0.9
123.08070	10.4
123.11697	3.3
124.08875	1.1
125.06001	1.1
125.09634	67.3
126.09986	0.6
127.03920	63.9
128.04269	0.9
128.06226	1.0
129.07016	0.9
129.13905	1.2
131.04947	0.8
131.08591	1.3
133.02888	2.7
133.06491	1.7
133.10135	28.1
134.10503	0.6
135.08066	1.6
135.11708	3.4
137.05980	3.4
137.09630	3.8
143.08575	4.9
145.02914	2.2
145.04971	7.2
145.06468	2.1
145.10162	2.1
146.03209	0.8
146.07310	0.6
147.04420	9.7
147.08054	16.2
147.11761	0.7
148.04720	3.2
149.04950	0.6
149.06000	2.7
149.09624	0.7
151.03923	1.0
151.07555	1.6
151.11172	3.3
157.10136	0.8
159.08064	0.7
159.11728	1.1
161.06006	0.9
161.09625	18.2
162.09973	0.7
163.03880	1.0
163.07541	1.1
163.11218	2.3
165.09120	19.6
167.07109	0.7
171.08006	1.1
171.11699	1.2
173.04288	0.5
173.13214	0.8
175.11227	1.0
177.04018	0.7
177.05470	5.5
177.09021	0.6
178.05811	1.8
178.07631	0.5
179.10677	15.0
180.11139	0.6
185.09642	0.6
185.13191	0.6
187.07527	0.8
187.11201	0.7
187.14877	0.5
189.05478	0.6
189.07291	0.7
189.09096	15.8
191.07008	0.7
193.04959	0.9
197.09644	0.6
199.11189	0.5
199.14755	0.5
201.09082	0.4
203.07004	1.1
204.10234	5.6
205.08798	0.4
205.10519	2.6
206.07306	1.2
206.10915	0.6
207.10173	21.2
208.10544	0.5
215.07001	0.9
217.06500	0.8
221.09752	0.6
225.11221	46.0
226.11537	1.3
227.06845	0.5
229.08578	0.5
229.15924	0.9
233.07961	0.9
233.11871	0.6
234.06891	2.5
234.09151	0.5
234.11241	3.0
235.07243	0.7
235.11429	2.1
237.11223	0.6
243.17398	0.6
249.09059	2.5
249.11285	1.0
253.08464	0.5
257.08060	2.1
262.06235	1.0
267.12268	5.3
267.17249	0.8
269.11710	0.6
271.16940	1.7
275.17523	1.3
276.17877	1.4
277.08600	6.5
285.07626	0.5
285.18518	2.0
289.17947	2.3
295.16867	0.9
297.13464	1.1
303.19553	1.0
305.18481	0.9
309.11053	2.8
313.17938	2.5
315.12311	1.7
327.12332	1.1
329.10425	0.5
331.19040	13.1
333.13406	5.8
349.16031	0.8
349.20108	10.9
350.20450	0.5
351.14395	7.6
353.09851	0.5
367.21127	0.7
391.21170	6.1
417.13449	1.5
421.21841	1.6
429.22119	0.5
435.14325	0.6
439.21118	1.7
457.22256	14.6
475.23294	9.8
493.24274	0.7
643.34161	0.6
655.33356	1.2
672.34595	3.7
673.35016	9.1
819.39526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06573	1.4
63.02371	0.5
65.03927	1.7
67.05484	1.2
69.03419	0.7
69.07048	0.5
69.53130	1.6
69.53567	1.1
70.06585	0.4
71.04978	0.4
72.08137	1.0
79.05471	1.0
81.03384	1.2
81.07034	1.5
83.04928	0.4
84.07678	0.5
84.08143	6.1
85.02891	0.5
89.03913	1.7
91.05480	11.0
93.07046	2.5
95.04932	0.7
95.08593	1.3
97.02895	1.6
97.06514	0.3
98.09666	0.4
98.21391	0.7
99.04476	0.4
103.05443	0.4
105.07029	3.7
107.04955	1.1
107.08610	2.3
109.02889	2.4
109.06496	0.8
109.10159	2.9
110.09650	1.3
111.04431	1.3
112.11240	16.2
115.05450	0.3
117.03375	5.4
117.06991	0.9
119.04938	20.7
119.08572	3.4
121.06450	0.6
121.10136	1.4
122.03725	0.4
123.04368	0.4
123.08096	0.9
123.11665	0.3
127.03905	4.7
128.06145	0.5
129.13876	13.5
131.04884	0.8
131.08591	0.7
133.06500	2.8
133.10133	3.2
134.03632	0.5
135.04419	1.0
135.08041	1.4
137.05971	8.0
143.08560	1.0
145.02840	22.0
145.10118	1.2
147.04402	100.0
147.08008	1.6
148.04712	1.1
149.05968	2.4
149.09616	0.6
151.11252	0.4
155.11794	4.1
157.10143	0.8
157.17303	0.4
159.08054	0.6
159.11652	0.7
161.05956	2.0
161.09602	2.2
163.03886	3.1
163.07526	0.5
163.11148	1.1
165.09082	1.8
167.07098	0.5
169.06401	0.3
171.08090	0.5
171.11736	0.7
175.07565	1.3
177.05463	42.0
178.05888	0.5
179.10645	0.9
179.23383	0.3
181.10036	0.4
185.09641	1.0
186.05510	1.1
187.07507	0.7
189.09079	1.2
189.12701	0.5
191.08636	0.8
199.07622	0.4
199.11188	2.0
203.11815	6.0
204.10196	62.8
205.10518	1.2
207.10037	1.7
217.12282	1.0
218.11974	1.7
219.08124	0.7
225.11186	4.7
231.07999	0.6
233.12883	4.0
234.11237	37.1
235.11597	0.5
236.08252	0.4
247.07530	0.5
251.10724	1.9
259.07300	0.4
267.12265	0.7
275.17523	23.0
276.17841	0.5
279.10132	1.5
282.63043	0.3
283.16742	0.3
287.20175	0.4
288.33426	0.3
291.10229	0.8
292.20029	0.4
297.18365	0.7
305.18564	11.7
311.12793	3.6
315.19553	2.8
323.12894	1.2
349.26044	1.5
357.20584	0.6
375.24023	0.5
379.27170	0.4
398.82913	0.3
401.13824	0.6
421.21078	1.1
441.22711	0.9
451.22598	0.5
459.23914	0.5
477.28931	0.5
478.26947	2.8
495.29810	1.6
507.29739	1.3
508.27924	2.6
521.27789	0.5
525.30811	1.7
623.32159	2.3
641.33405	10.1
642.34161	0.6
653.33331	15.7
654.32751	1.4
671.34338	77.1
672.34644	3.3
817.38348	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.5
65.03940	4.1
66.82526	1.5
67.05502	16.2
69.03427	14.3
69.07086	5.7
69.39063	4.4
69.39485	9.8
69.45621	1.4
71.01376	1.8
71.05007	5.9
73.02925	1.9
77.03937	2.9
79.05497	21.4
81.03416	21.2
81.07053	18.2
83.01365	2.2
83.04994	6.7
83.08618	3.1
85.02926	6.3
89.55665	1.6
91.05485	39.9
93.07043	41.3
93.07610	2.1
94.04187	2.4
95.04969	13.1
95.08610	26.3
97.02896	29.0
97.06561	5.9
99.04486	6.4
103.05463	12.9
105.07037	55.2
107.04969	11.2
107.08604	41.8
109.02884	37.6
109.06543	10.3
109.10168	30.3
109.79386	1.7
111.04448	22.6
111.08119	5.8
112.04753	1.7
113.06017	2.1
115.05499	7.0
117.07043	9.8
119.04965	7.5
119.08585	94.1
121.02882	2.4
121.06503	11.5
121.10148	20.2
122.03716	5.8
123.04448	4.2
123.08064	13.2
123.11743	7.2
125.06042	5.0
127.03924	66.2
128.06271	4.9
129.07011	8.9
131.04938	27.3
131.08566	13.1
133.02895	2.0
133.06499	26.6
133.10132	52.7
135.08075	18.3
135.11691	10.3
135.12616	1.6
136.87347	1.5
137.05981	79.3
137.09607	7.7
139.07599	2.4
141.07027	3.7
142.07825	4.6
143.04883	1.7
143.08545	18.8
144.09215	1.9
145.05020	5.0
145.06520	4.9
145.10117	23.6
146.07314	3.5
147.04427	16.3
147.08057	39.6
147.09222	2.1
147.11716	10.8
147.53514	1.5
149.06029	7.0
149.09665	10.5
151.03941	4.0
151.07515	9.5
151.11221	5.6
153.07011	2.4
155.08615	4.7
156.09373	2.7
157.06543	5.1
157.10112	12.5
158.10905	2.1
159.08047	9.8
159.11690	9.8
161.05988	28.4
161.09619	38.3
161.13277	2.4
161.38774	2.0
163.03938	2.7
163.07547	22.1
163.11171	13.7
163.12347	1.5
165.05696	1.8
165.07024	4.7
165.07669	2.0
165.09120	36.3
166.07834	2.5
167.07269	1.9
167.08632	2.6
168.05788	1.7
169.06499	3.7
169.10193	7.3
170.07309	2.2
171.08112	7.5
171.11693	12.5
172.05260	4.4
173.06049	3.1
173.09641	9.2
173.13341	5.3
174.06781	1.9
175.07559	17.6
175.11279	5.1
177.05508	4.5
177.09155	4.0
178.07922	2.4
179.07123	7.2
179.08653	2.3
179.08945	2.6
179.10678	25.5
181.06696	1.9
181.08842	1.7
181.10110	7.6
183.08041	2.3
183.11714	4.8
185.06010	4.5
185.09596	14.2
185.13332	6.0
187.07547	24.3
187.11246	6.4
187.14954	3.1
189.09109	27.9
189.12822	3.9
191.07118	3.4
191.08731	2.4
191.10799	4.7
193.08582	2.0
193.10228	2.1
195.08131	2.7
195.11760	5.4
197.09627	3.3
197.13364	4.0
199.07532	15.4
199.11179	32.3
199.13066	1.8
199.14886	2.9
201.09065	8.5
201.12801	2.1
203.07079	4.7
203.10689	3.7
205.06654	2.3
207.10178	46.6
207.12001	3.2
209.06044	2.9
209.09735	3.4
209.11604	2.4
209.13394	3.5
211.07634	6.8
211.11249	2.6
211.15018	1.9
213.05466	2.0
213.09196	6.0
215.07108	5.2
215.10785	2.7
217.08623	10.6
217.12135	13.9
219.08180	6.9
219.13933	2.1
221.06067	3.5
223.07611	2.4
223.11128	1.7
225.09146	6.0
225.11215	100.0
227.07063	2.4
227.10724	3.0
229.08655	3.6
231.08113	3.7
235.07671	2.8
235.11179	2.6
235.13202	3.6
236.08504	2.4
237.09195	5.4
237.16501	3.5
239.07010	2.8
239.10770	2.8
241.08652	3.8
241.12343	2.8
243.10126	2.1
245.07996	2.0
247.07593	2.7
248.08403	2.5
249.09113	3.0
251.10765	6.5
253.08745	4.1
255.13831	2.4
255.17505	1.7
259.13492	2.3
263.10800	2.6
264.07770	2.4
265.08728	8.8
267.12375	8.1
269.07895	2.6
269.15466	2.6
269.19122	2.3
276.07828	2.3
277.08792	4.7
279.10178	5.9
279.17432	3.1
280.10971	2.6
283.09839	2.8
285.11353	4.0
287.09290	4.3
287.20099	3.8
289.08810	1.9
289.12064	2.6
291.10049	8.9
292.10916	2.7
293.08215	1.9
293.11819	2.2
295.09775	5.9
295.13434	1.6
295.17068	4.6
297.11267	6.2
297.18439	11.9
303.10364	3.9
305.15439	3.3
309.11151	3.2
309.18741	2.0
311.12677	12.4
313.18082	4.5
315.12363	8.4
315.19580	28.2
319.09872	2.4
321.11237	4.3
321.14929	6.1
323.12747	14.1
327.19647	2.0
333.13675	2.5
333.20844	2.3
335.12878	5.9
335.20181	2.3
341.13849	43.1
347.13147	3.5
351.14847	2.7
353.14087	10.3
353.20984	2.2
357.20724	5.5
358.37036	1.8
365.14011	6.9
369.20734	2.4
381.13544	2.7
383.15063	5.8
393.20947	2.7
407.14908	4.3
419.14993	6.1
423.21783	5.9
431.15054	5.5
441.22775	18.1
449.16019	11.7
459.23807	4.7
501.26566	6.8
513.26331	2.7
539.24341	2.0
609.28217	2.4
627.29614	2.9
639.29620	2.5
655.32330	2.4
675.30975	2.5
745.33594	2.5
763.34808	4.3
781.35541	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	817.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.9
65.03924	2.3
66.70950	1.7
66.92178	1.8
67.05495	16.9
69.03419	15.9
69.07061	3.5
71.04989	4.6
71.34166	1.8
71.59486	3.9
71.59844	2.1
73.02915	4.6
74.14898	1.6
79.05489	20.4
79.05913	2.7
81.03412	21.9
81.07043	21.4
83.04949	4.9
83.08591	2.8
85.02889	8.6
91.05473	37.9
93.07036	39.7
94.04179	2.3
95.04948	14.6
95.08044	2.3
95.08598	22.4
97.02889	33.7
97.06525	5.5
99.04460	8.2
99.08103	2.1
103.05455	15.2
105.03375	2.1
105.07018	58.8
107.04944	13.5
107.08593	49.2
109.02872	32.8
109.06517	14.1
109.10147	43.0
110.58289	1.9
111.03952	1.5
111.04459	16.1
111.08091	5.2
113.06013	3.0
115.05466	5.5
116.88160	1.7
117.03366	1.9
117.07012	11.5
119.04970	8.5
119.08571	82.7
121.02869	3.8
121.06480	11.5
121.10139	24.8
122.03643	4.1
123.04448	4.9
123.08054	12.8
123.11691	7.2
124.01943	1.6
125.05962	2.3
127.03909	66.2
128.06184	8.2
129.06987	13.2
131.04922	31.3
131.08575	12.7
133.02831	2.1
133.06480	12.6
133.10124	56.8
134.01418	1.6
135.04410	7.0
135.08046	21.8
135.11694	11.3
135.12567	1.7
137.05965	79.1
137.09596	8.0
139.07547	1.7
141.07004	3.8
142.07791	3.6
143.08543	15.9
144.05649	1.8
145.02881	1.8
145.04962	3.8
145.06471	7.8
145.10103	15.1
146.03647	2.0
146.07314	2.6
147.04425	11.2
147.08040	33.5
147.11691	7.2
149.05969	6.2
149.09607	10.9
151.03938	3.6
151.07520	6.7
151.11182	5.5
155.08574	5.5
156.09352	3.1
157.06447	4.6
157.10110	10.3
159.08037	10.5
159.11662	8.8
161.06001	23.9
161.09612	43.1
161.13242	2.9
163.03900	19.9
163.07545	20.8
163.11186	13.1
163.81297	1.7
165.05492	2.3
165.06973	4.5
165.07648	2.7
165.09094	43.3
166.07762	4.3
166.86377	1.5
167.07063	2.1
167.08510	3.5
167.79712	1.7
169.06429	3.3
169.10152	3.2
170.07353	2.7
171.08067	8.2
171.11696	10.7
172.05215	3.4
173.09595	5.6
173.13269	3.7
175.07570	15.2
175.11057	4.2
177.05388	2.9
177.09171	2.2
179.07011	7.7
179.08400	2.0
179.10666	28.9
181.10088	12.6
183.08011	2.8
183.11600	2.3
185.05956	4.3
185.09665	13.2
185.13284	2.9
186.06931	2.2
187.07547	25.5
187.11200	3.8
187.14885	2.3
189.09088	30.3
189.12773	2.1
191.06935	3.7
191.08578	2.0
191.10646	5.6
194.07304	2.6
195.07906	2.9
195.11607	3.5
197.09587	3.5
199.07481	15.8
199.11172	33.5
199.14815	2.7
201.09103	4.5
203.08768	2.4
203.10664	4.5
205.08563	2.1
205.12364	2.2
207.10135	38.7
211.07571	12.0
213.09055	6.9
213.12759	3.0
213.16104	2.0
215.06973	3.7
215.10596	2.9
217.08620	10.5
217.12119	15.8
219.08089	2.8
221.05884	3.0
222.06754	2.6
223.07553	3.7
225.09160	4.8
225.11180	100.0
227.06981	4.0
227.10706	3.2
229.08598	5.2
231.08087	2.8
232.08823	2.3
233.09583	2.5
235.07668	2.2
237.09120	4.2
239.07108	2.2
239.10675	1.8
241.08563	5.1
248.08398	2.5
249.09006	2.3
251.10715	5.2
253.08563	6.1
255.17462	2.8
259.07297	2.2
261.09296	3.1
263.10681	3.2
264.07913	2.0
265.08575	11.5
267.09897	3.1
267.12296	6.7
269.15421	3.0
269.19080	2.0
273.03864	2.9
276.07864	2.6
277.08554	3.3
279.10159	5.6
285.11176	5.0
287.19672	2.1
289.08527	4.3
291.10156	7.5
292.11047	3.3
293.08130	2.4
295.09857	3.9
297.11096	9.4
297.18402	5.9
303.10193	2.5
307.09470	3.5
307.16867	2.0
309.10916	2.8
311.12952	9.6
315.12372	13.1
315.16077	2.6
315.19562	25.1
321.11053	2.7
323.12839	12.7
325.14310	4.7
329.13965	2.7
333.13345	5.1
335.12717	5.6
337.14124	2.1
339.12460	2.3
341.13840	34.6
347.12726	3.5
351.14322	4.1
351.19412	2.2
353.13873	8.0
357.20523	7.1
363.13931	1.8
365.13800	7.5
369.20547	2.5
377.13763	2.6
383.14886	3.8
401.13770	3.1
405.20233	2.3
407.14755	3.1
419.14804	5.3
423.21539	7.5
431.14679	4.7
437.16742	6.5
440.84866	2.0
441.22659	17.2
449.15765	5.2
459.24344	2.1
501.26105	2.1
763.33746	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	817.379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
57.07079	1.2
57.78702	0.7
62.98917	0.7
64.85887	0.8
65.03933	1.8
67.05503	13.9
69.03430	10.2
69.07063	3.0
69.77768	5.5
71.01357	0.9
71.04984	3.3
73.02899	1.5
79.05493	16.6
81.03425	15.8
81.07059	15.3
83.01352	1.3
83.04985	2.7
83.08614	2.3
85.02910	2.1
86.83312	0.8
88.28069	0.9
91.05482	23.0
93.07045	24.7
94.04195	2.9
95.04977	7.0
95.08607	14.9
97.02891	20.3
97.06531	2.4
99.04449	4.8
103.05487	2.9
105.07029	43.2
107.04958	8.6
107.08592	31.8
108.08920	1.0
109.02882	24.9
109.06520	11.7
109.10157	32.6
111.04452	8.4
111.08071	5.1
113.06010	0.8
115.03949	1.2
115.05446	5.5
117.07012	7.5
119.04946	2.5
119.08580	46.1
121.02872	2.7
121.06509	8.3
121.10146	12.2
122.03651	7.2
123.04427	5.1
123.08095	9.2
123.11718	4.3
125.06022	2.4
125.09639	0.9
127.03916	43.9
128.06232	4.4
129.07011	8.9
130.07797	1.5
131.04916	3.3
131.08571	9.5
132.05704	2.1
133.06494	8.2
133.09113	1.4
133.10129	35.4
135.08060	20.5
135.11700	5.4
137.05977	100.0
137.09598	5.5
137.13237	1.2
139.07535	1.7
141.07033	2.3
142.07788	2.8
143.08562	11.9
144.05643	1.3
145.04944	3.8
145.06467	4.3
145.10118	10.7
146.03635	1.3
147.04430	2.1
147.08047	22.8
147.11705	4.6
149.06001	3.6
149.09630	9.0
151.07571	2.4
151.11185	3.3
153.07062	1.3
155.08572	2.5
156.05695	1.1
156.09346	1.4
157.06491	2.9
157.10159	5.5
158.07251	1.0
159.08051	6.7
159.11674	4.8
160.05173	1.4
161.05989	15.2
161.09604	22.8
161.13252	1.5
163.03975	0.9
163.07558	1.3
163.11174	11.2
165.06976	2.4
165.09116	21.1
166.07811	3.3
167.07137	1.2
167.08586	2.1
169.06552	0.8
169.10136	3.3
171.08122	4.1
171.11699	7.4
172.05251	1.3
173.09663	2.8
173.13297	1.3
175.07547	18.6
175.11156	3.0
177.05493	1.3
177.09070	1.5
177.12758	1.2
179.07048	1.9
179.10661	14.7
181.06427	0.9
181.10138	7.5
181.12219	1.4
183.08150	1.1
183.11743	1.6
184.05196	0.9
184.08827	1.7
185.09619	11.7
185.13243	1.8
187.07532	12.6
187.11174	2.7
189.09114	16.4
189.12756	3.4
190.07780	2.8
191.08582	11.6
191.10667	3.1
195.11740	1.1
197.09705	1.0
199.07559	5.9
199.11200	33.9
202.07809	3.1
203.08586	4.6
203.10669	3.2
205.06602	1.4
207.08282	1.5
207.10155	22.0
208.08778	1.7
209.09674	0.7
209.11586	1.8
209.13399	0.9
211.11281	1.1
213.12700	1.6
217.08672	1.5
217.12231	17.5
218.07246	2.6
219.08060	18.9
220.08827	3.3
222.42998	0.7
223.11282	1.2
225.11208	57.9
226.11475	1.1
229.08527	0.9
230.07210	1.1
231.08069	6.8
232.08781	1.0
235.07597	1.8
235.11098	1.1
235.13290	2.9
236.08250	2.9
237.16273	0.9
241.12241	0.9
243.12195	1.2
247.07564	7.9
248.08347	4.8
249.09004	1.5
249.11319	1.2
251.10675	23.1
251.17909	1.2
255.17352	1.3
259.07571	3.8
259.13406	1.1
260.08344	2.9
261.09009	1.3
263.10757	2.7
264.07806	1.8
265.08588	2.2
267.12238	6.3
269.19031	1.6
273.18567	1.3
276.07828	1.9
277.08560	2.1
279.10095	16.0
279.12567	1.3
280.10889	1.8
281.08142	1.6
287.19934	1.2
291.10138	10.0
292.10886	1.8
293.08078	0.9
295.09869	1.0
295.13272	1.9
296.10519	2.7
297.18478	5.1
303.10349	0.9
308.10522	1.9
309.11169	1.2
311.12781	51.5
315.15842	1.1
315.19574	22.7
323.12781	17.8
333.13388	2.7
335.12738	1.7
341.13791	1.6
341.20972	1.4
351.14316	1.9
351.19809	1.0
353.13770	1.7
357.20618	8.3
359.12619	0.9
365.13739	0.9
369.20529	2.1
373.14301	1.2
377.13855	0.9
390.17294	0.9
401.13736	5.3
419.15067	1.9
423.21530	4.2
425.61279	0.8
437.16367	0.8
441.22830	13.9
442.22980	1.0
459.23691	2.8
551.52521	0.8
733.31696	1.1
751.34027	0.8
817.37573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02357	0.5
65.03932	0.2
67.05492	0.1
68.99808	0.2
69.03435	0.1
70.06589	0.1
70.77216	0.2
70.77583	0.1
76.03760	0.1
77.03927	0.5
78.56682	0.1
79.05490	1.1
81.03415	0.2
81.07052	0.2
83.04985	0.1
84.08152	0.1
84.46320	0.1
85.02892	0.1
87.72612	0.1
89.03917	6.6
91.05479	0.3
93.07053	0.1
95.04969	0.7
95.08634	0.1
97.02898	0.2
103.05486	0.1
105.03391	0.7
105.04499	0.1
105.07022	0.2
107.04955	2.1
107.08639	0.1
109.02882	0.2
109.10102	0.1
111.04441	0.2
112.60114	0.1
115.05498	0.1
117.03380	6.8
118.03795	0.1
119.04906	0.2
119.08591	0.2
121.06525	0.1
121.10163	0.1
123.04404	0.5
125.09669	0.1
127.03902	0.2
131.04951	0.1
133.02858	1.5
133.06514	0.1
133.10149	0.1
134.03616	0.2
135.04419	17.8
136.04764	0.3
137.02357	0.8
137.05986	0.2
139.03857	0.1
143.04938	0.1
145.02847	11.3
146.03224	0.2
147.04395	0.5
149.05983	0.1
153.01831	1.3
158.06030	0.2
161.02370	0.1
161.06007	0.2
162.03223	0.1
163.03905	100.0
164.04225	1.4
165.01813	0.1
165.09061	0.1
167.07040	0.2
171.04417	0.2
175.03911	0.1
177.05484	0.5
179.03300	0.1
181.04988	0.1
186.05492	0.7
189.05574	0.4
191.03383	0.2
199.03969	0.2
200.04703	0.1
203.03384	0.2
204.10197	0.1
217.04961	0.5
225.11234	0.1
227.03407	1.1
228.04097	0.2
229.04984	0.2
245.04471	1.4
255.02913	1.0
256.03641	0.3
257.04349	0.1
273.03934	30.4
274.04465	0.7
284.72861	0.1
285.03809	0.1
287.05469	0.1
289.07022	0.1
301.03433	10.7
302.04181	2.9
303.04993	3.4
317.06519	0.1
319.08148	1.9
337.09183	0.4
463.06577	3.0
619.10895	0.5
619.18713	0.1
637.11646	0.2
799.15051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.16
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83508	0.1
61.95106	0.1
63.02386	0.3
66.81011	0.1
67.05494	0.2
67.95792	0.1
68.99780	0.3
69.03423	0.1
71.59429	0.1
77.03916	0.1
79.05488	1.1
81.03411	0.4
81.07042	0.1
83.04942	0.1
85.02890	0.2
89.03909	6.4
91.05470	0.3
93.07027	0.2
95.04950	0.6
97.02863	0.2
105.07015	0.2
107.04952	2.0
107.08607	0.2
109.02862	0.6
109.06523	0.1
109.10148	0.2
111.04433	0.2
115.05493	0.1
117.03371	7.1
118.03679	0.2
119.04987	0.1
119.08549	0.3
119.92609	0.1
120.08881	0.1
121.02868	0.1
121.10148	0.1
125.09638	0.4
127.03895	0.5
133.06520	0.2
133.10110	0.3
134.03647	0.5
135.04407	16.5
136.04826	0.2
137.02327	0.7
137.05975	0.3
145.02837	11.3
146.03230	0.1
147.04362	0.3
147.08037	0.2
149.05936	0.1
151.07480	0.1
153.01828	0.8
158.06044	0.2
159.08023	0.4
161.05937	0.3
162.03168	0.2
163.03893	100.0
164.04233	1.0
165.09055	0.1
166.02484	0.1
177.05502	0.3
181.04964	0.2
184.05107	0.1
186.05455	0.6
189.05484	0.3
189.09142	0.1
199.03952	0.2
203.03400	0.1
207.10124	0.1
217.04909	0.2
225.11232	0.2
227.03375	0.7
228.04123	0.3
229.05035	0.2
242.00243	0.1
245.04414	1.0
255.02840	0.6
256.03571	0.2
257.04465	0.3
269.08044	0.2
273.03915	20.1
274.04532	0.6
285.03955	0.1
301.03412	5.9
302.04175	5.4
303.04947	3.2
319.08133	1.5
323.12772	0.2
337.09192	0.4
340.71127	0.1
407.08731	0.1
407.17166	0.2
435.06931	0.2
445.05621	0.2
463.06601	2.4
498.11407	0.4
499.11990	0.4
551.21887	0.2
619.10846	0.2
637.11560	0.2
799.14764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32065	0.1
58.57207	0.1
63.02344	0.4
65.03948	0.1
67.05513	0.2
67.47153	0.1
68.99783	0.3
69.03426	0.1
69.47007	0.5
70.06606	0.1
72.35551	0.1
74.09739	0.1
77.03908	0.5
79.05495	1.0
81.03416	0.1
81.07049	0.1
83.04958	0.1
85.02909	0.1
89.03916	6.8
90.04251	0.1
91.05489	0.2
93.07052	0.1
95.04968	0.9
97.02897	0.1
105.03398	0.7
105.04483	0.1
105.07018	0.1
107.04956	2.3
107.08612	0.1
109.02934	0.1
110.89964	0.1
111.04438	0.2
117.03381	6.7
119.04964	0.1
121.02880	0.1
121.10199	0.1
123.04427	0.2
127.03884	0.1
130.37090	0.1
133.02852	1.7
133.03802	0.1
134.03633	0.3
135.04414	18.0
136.04736	0.1
137.02341	0.8
137.06006	0.1
143.04968	0.1
145.02844	11.6
146.03175	0.1
147.04395	0.5
149.05875	0.1
153.01825	1.1
158.06006	0.2
161.06017	0.2
163.03900	100.0
164.04256	1.1
167.07011	0.2
171.04437	0.2
175.03784	0.1
177.05489	0.4
181.04852	0.1
186.05478	0.6
189.05495	0.3
191.03406	0.3
199.03926	0.2
199.83972	0.1
203.03363	0.2
204.10176	0.1
217.04996	0.4
227.03392	1.0
228.04132	0.1
229.04994	0.2
231.02882	0.1
245.04489	1.2
255.02890	0.9
256.03674	0.1
257.04474	0.1
273.03928	29.3
274.04453	0.7
285.03897	0.1
289.07025	0.1
301.03424	10.5
302.04205	2.7
303.04987	3.1
304.05176	0.1
317.06372	0.1
319.08136	1.7
337.09076	0.4
373.92740	0.1
421.05368	0.1
463.06592	3.0
497.10291	0.1
499.11816	0.1
619.11041	0.5
637.11786	0.2
671.33960	0.1
799.02032	0.1
799.15094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	4.0
57.07055	2.1
61.02926	1.8
67.05505	7.4
69.03440	6.8
69.07078	7.9
70.75909	3.4
71.05000	1.7
73.02916	12.7
79.05502	8.4
81.03427	1.6
81.07065	17.4
83.04980	4.6
83.08630	5.1
85.02909	12.0
85.06510	1.2
87.04473	1.0
91.05473	9.5
93.07040	16.0
95.01343	7.9
95.04958	2.8
95.08613	29.9
97.02888	11.6
97.06509	2.5
97.10169	2.1
99.08079	1.1
103.03933	1.0
103.05463	1.2
105.06312	1.1
105.07031	23.0
107.08597	32.0
108.08974	0.9
109.02873	2.0
109.06525	2.6
109.10162	22.3
109.10901	1.2
111.04469	1.8
111.08071	3.9
113.02358	1.8
115.03931	3.9
117.07018	3.8
119.08579	41.5
119.80183	0.9
121.06480	1.4
121.09307	1.5
121.10139	21.7
123.08064	3.0
123.11687	5.9
125.09606	7.8
127.03899	2.3
129.06966	1.8
130.07710	1.0
131.08577	13.1
133.04951	2.8
133.10124	26.2
135.08025	3.0
135.11699	11.1
137.05988	1.3
137.09604	2.9
137.13292	1.1
141.01830	18.1
143.08597	4.6
144.09303	1.1
145.10118	30.2
147.04527	0.9
147.10626	1.7
147.11678	16.2
149.09644	2.6
149.13235	7.8
151.11189	1.5
153.09068	1.9
156.09352	1.2
157.10121	6.8
159.02887	2.6
159.11699	25.9
161.09633	1.7
161.13251	18.5
163.03954	1.9
163.07564	1.2
163.11183	2.4
163.14816	10.2
169.10112	1.6
171.11688	6.6
173.13258	18.8
175.14838	17.9
177.03889	1.4
177.09042	1.4
177.12759	1.1
177.16385	11.7
179.10707	1.6
179.14285	1.5
183.11734	1.9
185.13257	4.0
187.14818	29.7
189.16383	33.6
191.14380	1.6
191.17917	9.1
193.15869	4.9
197.13275	1.1
199.14835	10.8
201.16380	51.1
203.17941	12.8
205.15858	4.4
207.17445	2.2
211.14890	1.9
213.16397	11.9
215.17935	16.0
217.15851	4.4
217.19423	2.0
219.05023	1.5
219.17410	16.7
221.15382	1.7
225.16373	1.5
227.17926	3.6
229.15909	1.9
229.19508	4.4
231.17441	5.2
233.15430	1.5
233.19070	1.6
235.16968	5.0
239.17873	2.6
241.19646	3.3
243.21117	2.2
247.16963	11.6
249.18468	2.3
253.19614	3.4
255.21021	1.5
259.20715	1.1
261.18524	8.0
265.15710	1.0
265.19342	1.3
267.21158	2.1
269.22592	1.3
273.18491	1.2
275.19980	3.2
281.22717	3.7
287.19904	1.4
295.24188	1.3
299.20074	1.1
327.23123	6.3
341.24640	3.3
377.31821	1.4
389.32053	6.2
395.29184	2.0
407.33127	23.6
408.31543	1.2
409.34668	1.5
423.32568	6.5
425.33914	5.8
435.32574	30.3
453.33640	61.2
457.33044	1.8
471.34720	100.0
472.34656	3.8
489.35928	1.7
629.36823	4.1
665.38245	2.1
708.28418	1.0
749.46753	1.1
814.42053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4911
Annotation	Glabrin C
Peak:m/z	Relative Intensity
58.48867	1.8
64.87174	1.7
67.11786	1.6
70.29152	1.8
70.88908	5.1
93.07060	1.8
99.41142	1.8
122.71010	1.9
135.88567	1.6
213.84962	1.7
276.01666	2.0
453.20358	2.0
571.78284	2.1
813.49097	100.0
814.49463	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	814.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.4
63.65572	0.8
67.05489	2.9
69.03078	1.5
69.03429	20.2
69.07082	1.9
71.61824	2.0
73.02917	1.2
75.04426	0.9
79.05476	2.2
81.07044	5.9
83.08600	2.8
85.02907	12.7
85.06540	1.6
86.42097	0.9
87.04459	11.0
91.05464	3.9
93.07024	6.4
95.04976	1.0
95.08606	13.1
97.02895	18.4
97.06530	1.4
105.07031	7.3
107.08601	10.5
109.06496	1.3
109.10156	7.5
111.08070	2.2
115.03936	15.6
117.07039	1.1
119.08576	15.5
119.83451	0.9
120.95027	0.7
121.06470	1.4
121.10150	11.7
123.08049	2.1
123.11679	4.0
127.03912	2.6
131.08586	4.0
133.04976	13.0
133.10141	11.0
135.08064	1.5
135.11668	5.6
137.09608	1.0
145.04970	4.4
145.10114	12.3
147.04405	1.0
147.08052	0.9
147.11681	6.1
149.13264	6.6
150.07608	1.1
153.09146	1.6
157.10129	2.3
159.11668	5.9
161.09641	1.0
161.13269	8.2
163.11206	1.1
163.14809	8.2
167.07068	1.0
171.11653	1.3
173.13283	7.1
175.14828	6.7
177.16391	11.5
179.14278	1.5
183.11708	1.2
185.13284	4.1
187.14824	22.1
189.12729	2.8
189.16374	14.5
191.14307	2.6
191.17958	2.7
199.14761	2.8
201.16389	14.1
203.14342	2.7
203.17949	16.3
205.15886	9.0
207.13785	1.0
213.16368	2.4
215.17947	3.5
217.15952	1.0
219.17435	1.6
221.15320	1.2
223.16934	1.5
229.19511	2.7
235.16939	2.6
245.18774	0.9
247.16866	4.8
249.18556	1.4
261.18414	2.8
263.20020	1.7
291.38980	0.9
295.10434	1.0
375.30533	2.8
377.31833	1.7
393.31592	12.5
395.33179	4.6
411.32672	10.4
413.34177	6.7
421.31067	7.7
423.32758	1.2
439.32108	17.4
457.33151	100.0
458.33655	1.6
467.31357	1.1
503.33182	1.5
549.33514	1.0
553.34418	1.1
571.36298	1.5
617.36523	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.5
57.07073	1.1
58.50248	0.9
61.02925	2.2
62.98729	0.9
67.05507	8.4
68.99792	2.4
69.03430	5.9
69.03769	1.3
69.07069	7.7
69.52911	3.0
69.53334	5.8
71.04992	18.1
71.38207	0.9
73.02914	1.1
79.05489	7.0
81.03410	2.7
81.07050	13.2
83.04990	2.7
83.08618	2.0
85.02902	28.1
91.05476	11.9
93.07047	9.8
95.05000	1.6
95.08604	12.4
97.02886	4.3
97.10177	1.6
99.04464	1.2
105.07030	24.6
107.08589	11.5
109.02831	1.3
109.10149	13.2
111.00831	2.6
115.05462	0.9
117.07016	2.8
119.01234	0.9
119.04951	1.4
119.08573	21.6
119.09354	2.0
121.02911	1.4
121.10144	10.6
122.79199	1.0
123.08094	1.1
123.11716	6.1
127.03893	3.2
129.05476	3.8
129.07050	1.4
131.08577	2.1
133.10133	13.3
135.08101	1.2
135.11708	4.3
137.02316	2.7
139.03848	1.3
143.08505	1.6
145.10138	3.7
147.04428	4.4
147.07954	1.3
147.11678	33.2
149.13272	2.5
151.11227	1.2
153.01834	24.0
153.02989	1.9
157.10068	1.6
159.11676	2.0
161.06007	1.3
161.13255	5.8
163.03928	8.0
163.14832	1.4
164.04210	1.1
165.01854	3.5
175.03941	1.1
175.14774	1.7
177.16406	1.6
179.03403	4.2
185.09534	1.3
187.03856	1.6
189.05498	1.5
189.16368	2.2
191.17906	1.2
197.06073	1.1
199.14752	1.0
201.05452	1.4
201.16374	3.8
203.03386	9.6
203.17949	29.9
205.19560	1.5
207.02931	2.0
207.17477	1.5
217.05040	11.3
221.04509	2.0
229.05081	5.4
231.06561	1.1
241.04973	1.3
245.04471	9.6
247.05974	1.9
257.04361	1.6
259.06104	4.5
269.04456	1.1
271.06055	4.4
271.09073	1.0
273.03958	28.3
273.07086	1.6
274.04715	1.8
283.06055	1.6
285.03986	4.5
287.05463	5.0
295.06165	1.4
297.03992	2.7
297.07474	1.9
299.05444	1.5
301.03424	24.0
303.04984	100.0
309.07474	1.2
311.05502	1.2
313.03369	3.7
313.06830	1.6
315.05042	13.2
315.19431	1.0
321.07578	1.2
327.04929	4.3
337.07190	1.2
339.04962	2.6
341.06088	1.5
353.06570	1.7
363.08463	2.1
381.09634	1.2
389.14166	1.3
421.12643	2.7
447.09216	1.9
449.16589	1.1
449.23029	2.3
459.09268	1.3
459.21976	8.7
461.23273	2.4
469.20212	3.0
477.22903	9.0
487.21158	19.2
505.22192	90.5
506.22253	2.1
529.22217	1.1
631.24854	1.6
649.26337	5.3
667.27612	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	811.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
59.04995	1.3
61.02927	4.0
67.05504	4.8
69.03438	4.6
69.07082	2.7
71.04988	1.7
71.59077	0.8
71.59438	0.6
73.02917	4.0
79.05491	4.7
81.03412	5.0
81.03799	0.6
81.07060	5.5
81.29583	0.5
83.04979	1.0
83.08665	1.2
85.02896	4.9
85.06546	0.7
87.96671	0.5
89.65218	0.5
91.03981	2.9
91.05477	4.1
91.10053	0.5
93.07046	4.7
95.04974	2.2
95.08601	2.6
97.02899	4.8
97.06559	1.9
97.10151	0.6
99.04493	0.8
101.02403	2.4
103.03951	0.7
105.07043	4.2
107.05013	1.0
107.08600	3.6
109.02847	1.1
109.06544	1.1
109.10181	1.5
111.08107	1.2
117.07007	1.0
119.08602	2.4
121.06503	0.5
121.10111	3.0
123.11730	0.6
125.09635	1.4
127.03893	2.9
129.05507	0.7
129.07004	1.1
131.08626	2.2
133.06438	0.8
133.10103	3.3
135.11751	0.9
143.08632	0.6
145.10138	1.6
147.08093	1.2
147.11736	1.6
149.09599	2.6
149.13182	0.5
157.10170	1.6
175.11237	1.2
181.10283	0.5
184.07402	1.1
193.12289	1.7
225.11247	0.6
241.07013	0.6
243.08359	4.2
249.23462	0.6
253.14053	0.7
267.15848	1.2
283.15149	3.6
301.08786	0.6
333.20447	2.6
339.17999	1.3
439.19550	1.0
441.21188	0.7
453.21210	1.6
455.10355	0.5
469.20444	1.1
501.23169	18.1
501.30438	1.1
502.23752	0.8
551.28265	8.0
573.25464	0.8
721.37537	2.1
729.73206	0.6
811.44495	100.0
812.44702	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	809.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
65.03928	1.3
67.05504	10.6
69.03438	9.5
69.07056	4.0
70.90669	2.3
79.05494	9.3
81.03414	5.3
81.07053	11.6
83.04996	1.1
83.08610	1.2
85.02900	4.1
91.05484	12.2
93.07047	17.5
95.04961	4.1
95.08612	14.4
97.02896	12.5
97.06529	5.3
99.04477	0.9
100.83146	0.9
103.05450	1.0
105.07034	19.2
107.04968	1.9
107.08597	28.2
109.02857	11.7
109.06523	6.2
109.10158	35.1
111.04431	5.9
111.08105	2.7
112.17395	1.0
113.06049	1.7
115.05428	1.5
115.22835	1.0
117.07071	4.7
118.74347	0.9
119.08592	33.9
120.08974	1.1
121.06491	5.8
121.10152	11.1
123.08074	5.4
123.11709	4.7
125.05981	2.3
127.03919	10.4
131.08565	7.3
133.06491	12.8
133.10132	25.7
135.08072	18.8
135.11691	6.5
137.06007	2.0
137.09627	3.7
139.07535	1.1
139.86420	1.0
141.06908	1.0
143.08560	7.2
145.06538	1.4
145.10126	7.5
147.04462	1.3
147.08052	14.8
147.11621	2.5
149.09663	6.3
151.11160	2.5
156.09348	1.0
157.10135	3.8
159.08102	1.6
159.11719	7.4
160.38638	1.1
161.09634	15.4
163.07602	1.6
163.11214	4.7
165.09105	19.1
167.10768	1.4
169.10124	2.4
171.11609	5.1
173.09570	1.3
173.13283	3.3
175.11195	1.5
179.10690	18.4
181.10136	1.5
181.12225	1.7
183.11702	2.1
185.09612	3.4
185.13240	2.1
187.11215	2.9
187.14801	1.7
189.09140	13.7
189.16226	1.1
191.10701	2.0
195.11655	1.1
197.13251	2.3
199.11217	2.8
199.14827	3.3
207.10179	29.2
209.11659	1.5
209.13383	1.5
211.14835	1.9
213.12749	1.6
217.12234	2.4
225.11224	100.0
226.11592	2.0
227.10529	1.1
227.17924	1.1
228.48047	1.0
237.16306	2.3
241.19835	1.4
243.12248	1.4
251.17830	2.0
255.17415	2.3
266.13971	1.5
269.19028	2.8
273.18521	2.9
279.17395	3.2
287.20074	8.3
291.12216	1.6
297.18472	13.7
315.19571	60.2
316.19977	2.5
333.13611	5.5
333.20572	10.8
369.15359	2.2
408.95749	1.1
431.15118	1.1
459.23520	1.6
477.24973	11.8
478.25247	1.2
749.36694	1.1
809.41248	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
58.51115	0.9
67.05506	12.0
69.03426	11.2
69.07079	4.7
71.04977	1.6
71.59743	1.9
73.02916	1.2
79.05498	9.7
81.03406	6.2
81.07059	13.7
83.04982	2.1
83.08612	2.1
85.02909	5.1
91.05484	16.3
93.07044	23.0
95.04976	3.9
95.08609	15.5
97.02904	12.9
97.06521	5.8
97.10157	1.3
99.04446	1.8
105.07026	27.9
107.08599	27.3
107.09291	1.9
109.02874	10.0
109.06523	7.7
109.10161	35.5
111.04454	5.9
111.08096	3.7
113.05997	1.3
115.45594	0.9
117.07021	4.7
119.08579	43.2
121.06508	6.0
121.10151	15.0
123.08060	7.5
123.11729	4.7
125.06023	1.8
125.09614	1.7
127.03908	10.2
128.06252	1.7
129.09169	1.4
131.08563	7.5
133.06499	15.1
133.10130	27.5
135.08060	22.0
135.11716	6.7
137.06024	1.8
137.09618	5.1
139.07565	2.4
141.16978	1.2
142.38693	1.0
143.07629	1.2
143.08545	5.7
144.09372	1.3
145.04941	1.5
145.06531	1.4
145.10115	9.3
147.08047	14.9
147.11725	3.2
149.09636	8.1
151.11212	3.7
153.09084	1.0
155.08510	1.7
157.10158	5.9
159.11708	8.6
161.09624	21.3
161.13272	2.4
163.11189	6.0
165.09123	24.9
169.10287	2.0
170.10922	1.2
171.08051	1.3
171.11720	5.3
173.09648	1.8
173.13280	4.2
175.11214	1.9
175.14845	1.8
179.10675	15.5
181.10118	1.4
181.12260	1.3
183.11644	1.8
184.12624	1.2
185.09628	1.4
185.13258	3.5
187.11186	4.0
187.14857	2.9
189.09109	16.2
189.16400	1.3
195.11758	3.0
197.13318	3.2
199.11186	4.1
199.14841	3.9
201.12759	1.6
205.12263	2.2
207.10153	26.7
207.12029	1.6
208.10555	1.0
209.13348	2.4
211.14810	3.0
213.12871	1.5
217.12271	2.2
217.15884	1.6
219.13751	2.1
225.11223	100.0
226.11626	2.2
227.17912	2.5
235.14879	1.3
236.15465	1.1
237.16522	3.0
241.19458	1.3
251.17944	2.7
253.70041	1.1
255.13890	1.0
255.17365	3.9
269.19125	4.9
273.18582	4.2
279.17459	3.3
287.20114	6.2
291.12125	1.3
297.18491	14.9
315.19565	64.6
316.19806	2.0
318.06879	1.0
333.13361	4.4
333.20691	9.8
369.15500	2.3
389.55283	1.2
441.22968	1.3
459.23843	2.1
477.24847	14.1
633.30817	1.1
689.45068	1.2
802.13464	1.2
809.41162	4.3
823.86511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
57.07079	1.0
58.44495	0.4
59.04989	0.5
65.03925	0.5
67.05179	0.8
67.05508	11.2
69.03086	0.7
69.03432	10.1
69.07069	3.4
71.04996	0.9
71.60663	1.0
76.73767	0.5
77.03920	0.7
79.05494	8.6
81.03424	5.6
81.07059	12.1
83.04976	2.1
83.08612	2.1
85.02917	4.2
85.06536	0.9
89.66114	0.5
91.05483	12.7
93.07053	19.6
93.10639	0.6
95.04971	3.5
95.08610	15.6
97.02898	11.7
97.06522	4.7
99.04485	1.1
103.05453	0.7
105.03386	0.6
105.07036	23.1
107.04975	2.5
107.08601	28.8
109.02888	10.7
109.06534	6.9
109.10163	34.8
111.04452	6.3
111.08113	2.8
113.05991	0.9
115.05446	0.6
117.07025	4.5
119.04925	0.9
119.08588	35.3
120.08900	0.8
121.05749	0.7
121.06531	5.2
121.10152	11.5
121.25049	0.6
123.08083	7.6
123.11706	4.8
125.05957	1.1
125.09635	1.9
127.03922	10.7
128.06207	1.7
129.06975	1.2
130.07809	0.7
131.08582	6.2
133.06506	17.7
133.10136	26.8
135.08060	20.1
135.11690	5.4
137.05997	2.1
137.09633	3.7
139.07536	1.6
141.06866	0.6
142.07759	1.1
143.08580	7.3
145.04910	1.0
145.06482	1.3
145.10143	8.5
146.07294	1.1
147.04367	0.6
147.08051	15.0
147.11708	3.0
148.08861	0.5
149.05946	0.6
149.09628	7.6
151.07443	0.6
151.11217	3.4
153.09087	0.8
155.08530	2.0
156.09340	1.1
157.10132	6.9
159.08052	1.2
159.11700	7.7
161.05984	1.1
161.09630	18.2
161.13239	1.4
163.07500	1.0
163.11209	4.8
165.09125	20.1
167.08507	0.6
167.10649	0.6
169.10118	3.5
171.08102	1.1
171.11690	4.9
172.12296	0.6
173.09648	2.4
173.13231	3.4
175.07492	0.6
175.11203	2.1
175.14828	1.2
177.12660	0.7
179.10678	15.4
181.10127	1.6
181.12247	2.0
183.11647	2.3
184.12343	0.6
185.09607	2.2
185.13246	3.2
187.11214	3.9
187.14819	2.2
189.09122	15.7
189.12715	0.8
189.16348	0.9
191.10684	1.4
195.11688	2.1
197.13283	2.3
199.11145	3.1
199.14809	3.8
201.12730	1.2
201.16397	0.6
203.10707	1.3
203.14331	1.0
205.12288	2.2
205.15901	0.5
207.10176	29.3
208.10472	0.6
209.11688	1.4
209.13403	2.3
211.11159	0.8
211.14815	2.0
213.12752	1.5
213.16364	1.2
215.10603	0.6
217.12256	2.3
219.13789	1.6
222.13841	0.6
223.11263	0.7
225.11232	100.0
226.11583	1.6
227.10709	0.8
227.14391	1.0
227.17964	1.8
231.08543	0.8
231.13786	1.1
236.15904	0.5
237.12749	0.9
237.16443	1.6
241.12173	1.1
241.19545	1.2
243.12193	0.9
251.18016	2.5
253.19601	0.9
255.13844	1.1
255.17427	2.9
259.13260	0.8
266.13977	0.8
269.15787	0.5
269.18994	3.3
273.18500	3.5
279.17349	2.5
285.18439	0.9
287.16788	1.1
287.20038	7.4
291.12292	2.1
297.18512	14.2
315.19571	67.3
316.20020	2.5
331.19012	0.7
333.13348	4.4
333.20587	12.2
367.20706	0.6
369.15417	2.1
441.22949	0.9
459.23853	2.0
477.24884	13.6
518.27783	0.7
809.40265	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
57.07068	0.3
62.64312	0.2
65.03934	1.0
67.05511	1.9
69.03429	0.7
69.07072	1.9
70.06595	0.2
71.60877	0.3
71.61235	0.2
74.03162	0.2
77.03928	0.3
79.05499	15.9
81.03425	0.3
81.07063	3.4
83.04990	1.2
83.08628	0.5
85.02895	0.3
85.89807	0.2
86.09711	0.2
91.05486	7.6
93.03412	0.3
93.07050	11.2
95.04977	2.0
95.08614	3.7
97.02897	0.4
97.06535	0.2
97.12706	0.2
98.98492	0.4
103.05440	0.3
105.04543	0.3
105.07028	4.6
105.07674	0.4
107.04958	11.1
107.08602	20.0
109.06519	1.2
109.10153	1.0
110.13612	0.2
111.04446	1.1
111.08063	0.3
115.05459	1.0
117.07030	5.7
117.07846	0.3
119.04097	0.3
119.04951	6.8
119.08580	1.3
120.05292	0.2
121.02920	1.1
121.06514	2.2
121.10145	0.9
123.08031	0.2
123.11721	0.3
125.09630	0.4
127.03886	0.2
133.06482	1.2
133.10101	0.3
135.08061	100.0
135.11560	1.4
136.08385	1.2
137.05946	0.3
137.13272	3.0
139.03876	0.4
139.07539	0.8
145.06511	1.5
147.04419	46.8
147.08022	1.3
147.11758	0.3
148.04755	2.0
149.04861	0.2
149.09630	1.3
153.09113	2.8
157.05063	0.2
157.06477	0.9
158.07246	0.4
159.08086	1.5
161.09615	1.0
161.13263	0.8
165.05464	0.7
165.55658	0.2
167.07083	0.3
171.07999	1.1
171.11658	0.2
172.08838	0.2
172.95215	0.2
173.05988	0.2
173.09563	1.0
175.07530	0.6
183.08066	0.3
184.08810	0.4
185.06079	0.3
185.09651	2.1
187.07491	0.2
187.11127	0.9
189.05482	0.3
189.09088	0.4
189.12692	0.5
195.08113	0.3
197.09686	0.5
199.07527	0.4
199.11198	2.4
201.09184	0.3
201.12749	0.5
207.13838	0.3
208.08916	0.2
209.09619	0.7
210.19290	0.2
213.09120	0.8
213.12682	0.5
215.10706	0.9
223.11302	0.4
225.09282	0.2
227.10590	0.9
231.10283	0.3
233.05759	20.7
239.14301	0.5
241.12238	0.9
241.15833	0.5
245.11800	0.3
246.74326	0.2
251.06808	2.5
255.17459	3.6
261.60757	0.2
265.15857	0.7
283.16943	12.4
301.18027	2.9
303.08536	0.2
309.13409	1.3
321.09894	1.0
327.14407	1.9
339.10770	2.5
381.14648	16.3
382.14648	0.3
389.10175	0.3
399.15729	3.1
407.11069	2.7
457.22256	1.0
475.17017	0.3
475.23251	3.2
504.68390	0.3
555.19958	11.3
556.20288	0.3
573.21063	2.5
828.43610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	13.1
59.05006	2.4
65.03937	1.9
67.05506	63.8
69.03439	8.4
69.07070	25.1
71.01350	1.7
71.04999	6.8
79.05495	48.8
81.03418	77.3
81.06580	3.1
81.07056	58.3
83.04976	12.3
83.08618	25.5
85.02908	8.6
85.06551	4.0
87.97913	1.7
91.05483	48.6
93.06467	3.3
93.07043	51.7
95.04971	34.5
95.08601	30.5
97.02872	6.7
97.06519	18.5
97.10172	18.3
99.04459	2.1
99.08104	3.2
102.77445	1.5
105.06384	3.4
105.07034	39.6
107.04930	11.8
107.08595	43.3
107.65730	1.8
109.02897	2.2
109.06525	8.1
109.10159	18.3
111.04446	4.4
111.08083	11.2
115.05455	2.5
116.84640	1.8
117.07012	17.1
119.04905	1.8
119.07787	2.9
119.08588	32.8
120.66815	1.5
121.06519	10.0
121.10162	20.9
123.08106	4.4
123.11703	5.3
125.09628	16.4
127.03936	2.1
128.06180	2.3
129.07031	12.6
131.08577	28.9
133.06505	5.6
133.10126	22.6
135.08072	5.9
135.11687	13.2
137.06058	1.8
137.09642	5.3
141.06990	2.7
142.07785	5.2
143.08574	7.2
145.06502	3.9
145.10129	14.8
147.08072	6.5
147.11681	16.7
149.09618	10.7
149.13261	6.4
151.07588	1.9
151.11201	3.6
153.71484	1.6
155.08537	5.5
157.10139	15.2
159.08017	3.2
159.11694	11.3
161.09642	4.2
163.03891	2.4
163.11151	9.0
165.12695	3.4
169.10161	3.9
171.08153	1.8
171.10349	2.1
171.11755	6.2
173.04401	2.4
173.09636	2.8
173.11821	2.7
173.13287	3.8
175.11209	7.7
177.12738	4.3
181.10126	2.6
183.11667	3.0
184.07353	2.9
185.13271	3.8
187.11165	2.5
189.11203	8.2
193.12233	20.9
195.11763	2.4
197.13275	2.3
199.13278	2.7
211.13257	4.2
227.12804	17.0
227.18082	2.0
229.14336	7.9
229.19559	2.2
245.13899	3.1
255.15897	12.4
257.18939	4.1
259.09653	2.1
267.15918	100.0
268.16357	1.9
269.17468	18.1
273.18475	4.6
275.20084	20.5
283.15417	2.6
291.19617	7.2
297.22272	2.0
299.20093	2.9
309.20514	1.9
315.23416	2.3
331.22800	2.2
349.23758	26.6
367.24686	5.4
369.24365	3.7
421.25906	6.4
435.27676	2.7
437.25397	2.3
443.27884	7.2
447.27487	32.1
448.28033	2.7
449.30099	3.7
459.27267	3.7
461.29031	70.6
462.29163	3.5
467.31552	4.2
475.30688	2.5
477.28683	4.7
485.32672	2.9
493.31812	11.3
501.32242	11.2
519.33118	2.1
523.34119	4.3
541.35278	76.9
542.35913	3.7
559.36353	33.3
587.32776	2.3
591.38959	3.9
649.37292	2.1
689.64581	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11076	0.5
57.03431	0.7
57.07062	0.4
59.04984	0.7
67.05492	1.8
69.03430	6.1
69.07060	1.0
69.29996	0.5
70.44764	1.7
71.04970	1.6
73.02917	0.9
79.05488	2.8
81.03415	12.7
81.07050	4.7
83.01349	0.8
83.04984	1.2
85.02897	1.6
89.03915	7.4
91.05479	9.5
93.07050	11.1
95.04984	3.1
95.08601	5.8
97.02277	0.9
97.02888	11.8
99.04465	2.5
103.05468	3.3
105.03385	0.5
105.07027	11.7
107.04939	1.0
107.08597	8.4
109.02878	58.0
109.06514	4.4
109.10151	2.0
111.04455	1.6
111.08064	3.6
113.05970	0.9
117.03379	24.2
117.07040	1.4
119.04917	1.2
119.08577	26.1
121.06503	25.8
121.10136	7.6
121.53144	0.5
123.04395	0.7
123.08060	9.1
123.11700	1.6
124.08833	1.0
125.09627	50.8
126.10003	0.5
127.03914	41.1
128.06207	0.7
131.08519	1.3
133.06494	1.4
133.10126	22.4
134.03650	1.0
135.04404	1.8
135.08006	1.1
135.11673	3.3
137.05978	1.4
137.09581	2.7
143.08575	4.1
143.70100	0.5
145.02844	65.5
145.04942	6.0
145.10126	2.0
146.03195	1.1
147.04474	1.0
147.08041	12.2
149.05980	8.2
149.09642	0.7
151.07555	4.7
151.11189	2.7
158.06001	0.7
159.08049	0.9
159.11696	1.1
161.09613	14.8
163.03894	1.6
163.07486	0.7
163.11189	2.4
164.07072	6.3
165.09113	16.8
171.08089	0.9
173.09624	0.8
173.13309	0.8
175.11102	0.5
177.05466	100.0
178.05736	1.0
179.10666	12.7
181.10786	0.5
185.09634	0.7
186.05484	3.0
187.14650	0.5
189.09106	12.7
199.10899	0.6
207.10162	18.8
222.61153	0.5
223.14803	0.6
225.11200	32.4
227.14360	0.5
229.15927	0.8
233.11856	0.7
267.12308	3.0
271.16864	1.2
285.07623	1.9
285.18439	0.9
289.17966	1.5
297.13324	1.0
313.17978	1.4
314.13849	81.7
315.11987	1.0
331.19070	7.8
333.13272	4.5
341.20493	0.5
349.20135	9.8
351.14340	6.1
367.20966	0.8
391.21143	5.4
421.22150	1.8
439.20999	1.2
457.22238	14.4
475.23264	12.8
482.24011	0.5
489.75806	0.5
493.24048	1.4
591.98053	0.5
806.37476	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	805.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
57.07071	2.1
59.88528	1.2
67.05506	15.8
69.03421	1.6
69.07056	5.7
71.05017	1.6
71.38155	3.0
79.05495	10.4
81.07064	19.9
83.04989	7.0
83.08615	4.1
86.61787	1.2
91.05496	8.2
93.06477	1.5
93.07045	19.9
95.04957	5.8
95.08611	100.0
97.06537	3.0
97.10173	2.8
105.07027	14.6
107.04973	2.0
107.08595	36.0
109.06508	4.2
109.10162	34.5
111.08131	1.8
113.06028	1.7
117.06993	3.2
119.08588	22.1
121.06529	1.8
121.10146	23.3
121.32845	1.2
123.08043	2.0
123.11713	10.6
125.06013	8.8
131.08580	4.3
133.10127	18.7
135.08026	3.1
135.11697	53.5
137.13264	3.9
139.07518	2.5
143.08592	1.9
145.10136	7.9
147.11694	14.3
149.13255	11.9
153.12772	3.1
159.11661	7.9
161.13283	13.7
163.11212	5.0
163.14813	4.7
171.11629	2.2
173.13289	8.7
175.14830	4.0
177.16449	1.3
181.12253	7.6
184.07349	2.8
187.14830	6.8
189.16431	3.4
193.12260	2.2
201.16379	3.6
203.17966	57.8
207.13777	7.3
221.15349	4.4
233.15399	8.5
243.21147	2.1
247.17043	2.4
257.22650	19.2
267.20978	2.2
273.18552	2.7
275.23422	1.4
285.22150	10.3
288.25586	1.5
291.19504	4.8
303.23196	98.0
304.23618	3.0
335.25931	3.7
350.62967	1.4
365.22827	1.6
549.70953	1.4
625.44458	4.4
719.29749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
57.07084	2.3
59.04993	0.5
64.05900	0.5
65.03953	0.8
65.54720	0.3
67.05507	14.4
69.03432	0.9
69.07072	6.9
69.56558	0.9
69.56960	3.2
71.04985	0.8
73.06546	1.0
77.03924	0.5
79.05498	8.1
81.07062	19.3
83.04979	5.1
83.08621	4.3
85.06560	0.6
87.04475	0.8
91.05483	4.3
93.07047	17.8
95.04977	1.5
95.08611	100.0
96.08926	1.1
97.06525	2.8
97.10177	2.5
98.20804	0.7
105.07040	10.1
107.04957	1.0
107.08596	33.7
108.08920	0.4
109.06507	1.0
109.10159	32.2
110.10542	0.8
111.08080	1.6
113.05970	0.9
115.07615	0.6
117.06983	0.7
118.07762	0.4
119.08584	19.8
121.06516	1.0
121.10147	22.1
122.10437	0.5
123.08083	1.2
123.11711	8.8
125.05994	7.6
127.07552	0.6
131.08591	3.3
133.10139	18.4
134.10815	0.4
135.08054	0.8
135.11696	49.4
136.11993	0.6
137.09637	0.6
137.13264	5.5
139.07547	3.5
143.08565	0.8
145.10132	7.3
147.11693	14.0
149.09657	0.7
149.13264	9.6
151.14909	0.7
153.09137	1.0
153.12740	2.5
157.10112	0.7
158.47171	0.4
159.08037	0.6
159.11700	6.6
161.09586	0.7
161.13257	12.0
163.07555	0.7
163.11177	3.8
163.14815	4.1
165.12840	0.5
169.10078	0.7
171.11748	1.3
173.13277	8.6
175.11227	1.0
175.14853	4.6
177.12801	0.7
177.16405	1.0
181.12231	6.9
183.11711	0.7
185.13243	2.0
187.14822	5.9
188.15594	0.6
189.12738	2.2
189.16373	4.6
191.17940	1.2
193.12268	1.6
197.13252	1.1
199.14870	0.8
201.12750	0.7
201.16376	4.8
203.17966	45.3
204.18300	0.9
205.12192	0.7
207.13800	5.6
211.14836	1.0
215.14391	1.3
215.17963	1.5
219.13846	1.3
221.15405	3.7
229.15903	0.9
233.15384	8.3
243.21074	3.1
247.16928	1.3
257.22644	16.0
261.18613	0.4
267.21036	2.1
268.76743	0.4
285.22119	10.3
303.23193	79.8
304.23465	1.6
324.92313	0.5
335.25778	0.5
398.02173	0.4
625.44006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.56
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66066	3.1
58.93001	2.8
60.08126	4.1
67.05515	19.5
69.07069	7.0
71.58753	3.2
79.05485	9.2
81.07053	20.2
83.04961	9.8
83.08628	2.9
85.10204	3.2
86.09708	10.9
87.95099	2.8
89.34708	2.9
91.05471	8.4
93.07076	16.3
95.04967	6.7
95.08609	100.0
97.06496	5.1
97.10152	3.8
105.07017	9.4
107.08591	38.5
109.10152	32.5
119.08580	19.0
121.10137	19.2
123.08076	3.6
123.11703	9.1
125.00010	5.6
125.05997	5.6
133.10136	18.3
135.11678	44.5
137.13284	4.6
145.10149	7.6
147.11674	12.8
149.13307	5.7
159.11693	9.3
161.13269	9.9
163.11150	5.0
163.14888	4.4
171.11766	3.9
173.13260	11.6
175.14799	5.5
181.12280	8.7
184.07314	30.8
186.03366	3.1
187.14856	8.6
188.77243	4.0
189.16364	5.3
201.16353	4.9
203.17943	45.1
207.13806	11.7
215.17964	3.9
221.15265	3.9
227.12445	3.4
229.19699	3.5
233.15416	7.5
257.22684	26.3
267.20969	8.7
285.21994	24.2
291.19638	4.5
303.23193	90.6
304.23672	4.0
385.27167	5.2
399.96469	3.3
545.14734	3.5
545.37653	4.5
579.38177	5.3
596.22406	3.2
747.77460	3.4
755.44348	4.1
822.72559	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	805.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95166	0.4
57.03419	0.5
57.07060	0.4
59.04992	0.5
59.06129	3.2
60.04511	0.4
65.03940	1.2
65.70599	0.4
67.05169	0.6
67.05505	7.9
69.03432	6.3
69.07059	2.4
71.01324	0.4
71.04998	2.5
71.59555	0.7
73.02914	0.7
77.03927	0.8
79.05492	7.8
81.02972	0.7
81.03422	10.2
81.07063	8.6
83.01342	0.5
83.04986	3.2
83.08612	0.9
85.02908	1.6
85.06528	0.5
85.07652	1.7
86.06037	0.4
89.03922	5.7
91.05482	10.3
93.03410	0.5
93.07047	14.8
94.07379	0.3
95.04980	3.1
95.08611	11.2
97.02897	12.7
97.06535	2.5
99.04449	3.9
99.08074	0.5
101.07142	2.0
102.05510	0.5
103.05464	1.1
103.08704	5.1
105.03416	0.6
105.07033	23.8
107.04967	4.8
107.08601	19.7
109.02882	17.8
109.03532	0.3
109.03660	0.6
109.06514	4.5
109.10155	17.2
111.04444	11.9
111.08089	3.1
113.06005	1.2
115.03902	0.6
115.05439	0.8
116.06288	0.4
117.03384	16.0
117.05555	0.4
117.07009	3.9
118.03638	0.4
119.04922	1.2
119.08583	28.0
120.08905	0.4
121.02852	1.9
121.06499	4.4
121.10137	7.8
123.04444	3.3
123.08081	5.7
123.11733	2.7
125.05960	1.7
125.09615	1.8
127.03921	35.6
128.04218	0.5
128.06235	2.1
129.07013	3.5
130.07762	1.2
131.04892	0.9
131.08568	4.5
131.34326	0.4
133.06500	13.2
133.07452	0.5
133.10136	20.9
134.03633	1.3
134.10547	0.3
135.04407	1.8
135.07091	0.8
135.08057	11.0
135.11707	3.8
137.05988	1.7
137.09599	3.1
139.07521	1.2
141.07008	0.8
142.07843	2.0
143.08562	7.8
144.09189	0.4
145.02849	45.2
145.04932	2.0
145.06488	1.6
145.10127	6.8
146.03200	0.8
146.07262	0.7
147.04379	0.7
147.08051	11.0
147.11685	3.5
148.08414	0.4
149.05984	7.3
149.09615	5.4
151.07547	1.3
151.11198	2.2
153.05632	0.5
153.07002	0.6
155.08527	1.9
156.09399	1.9
157.06500	1.3
157.10138	5.5
158.06104	0.5
158.07304	0.5
159.08040	2.1
159.11700	4.7
161.05963	1.6
161.08279	0.7
161.09621	13.4
161.13260	1.3
162.09926	0.4
163.03909	0.5
163.07547	1.5
163.11185	8.1
165.06975	1.3
165.09120	11.9
166.07741	2.0
167.07037	1.3
167.08485	0.8
167.10666	0.4
169.06509	0.9
169.10123	2.6
170.10860	0.6
171.08051	2.1
171.11702	5.9
173.09593	2.4
173.13252	2.2
175.07545	1.2
175.11191	2.3
177.05472	100.0
178.05771	2.1
179.08594	0.6
179.08992	0.8
179.10669	9.5
181.04976	0.4
181.10118	4.6
181.12282	0.9
183.08147	0.6
183.11684	2.1
184.08849	1.1
185.09641	8.8
185.13158	2.2
186.05479	2.0
187.11221	1.8
187.14789	0.9
189.09111	9.4
189.12706	2.1
191.10696	2.4
193.08606	1.5
195.06502	0.7
195.11670	1.6
197.09621	1.6
197.13251	1.4
199.11177	19.9
199.14885	1.8
200.11543	0.6
201.09058	0.5
201.12807	0.9
203.10721	2.6
203.14355	0.8
205.12338	0.8
207.10153	12.9
207.11996	1.0
209.11690	1.5
209.13345	1.1
211.11168	0.6
211.14836	1.3
213.09138	0.6
213.12769	1.5
213.16283	0.6
215.10596	1.1
217.12236	10.6
219.13835	0.9
221.11688	0.7
225.11218	38.2
225.16190	1.1
226.11592	0.9
227.10765	0.4
227.18019	0.9
229.12321	0.5
231.14003	0.8
235.13170	2.6
237.12936	0.6
237.16374	0.9
241.12277	0.7
241.19469	0.5
249.11209	0.5
251.17896	1.8
253.15869	0.6
253.19469	0.5
255.17404	1.4
259.13397	1.1
267.12241	3.3
267.17374	0.4
269.19019	2.0
271.16910	0.5
273.18561	1.3
277.14337	0.9
279.12274	0.9
279.17444	1.5
285.07709	2.0
285.18445	0.6
287.20038	2.3
293.10223	0.9
295.16812	0.6
297.13416	0.7
297.18484	7.3
301.18146	0.5
311.11322	4.9
313.17908	1.9
315.19556	19.8
316.19904	0.8
327.19376	0.5
329.12094	1.1
331.19070	2.7
332.19077	0.4
333.13251	2.8
333.20477	2.3
341.21246	0.5
351.14392	2.3
351.19513	0.8
356.31998	0.4
357.20612	4.5
369.20636	2.5
375.21844	2.2
393.20529	1.0
395.22141	0.4
405.20682	1.8
413.23230	0.7
423.21646	4.7
441.22739	14.2
442.22818	0.7
457.22015	0.6
459.23801	6.1
477.24576	0.9
592.29047	0.4
653.29565	2.7
690.68793	0.4
787.34882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.3
62.93941	5.0
65.03947	4.8
67.01855	4.0
67.05506	28.7
68.99783	4.6
69.03425	17.3
69.07064	9.4
70.09075	7.6
70.09488	16.5
71.05003	25.4
73.28238	3.5
79.05495	27.9
81.03430	35.6
81.07075	27.8
83.04986	16.0
83.08638	5.5
85.02894	11.3
89.03925	6.8
91.05482	33.8
93.07050	33.4
95.04964	12.3
95.08613	30.3
97.02900	41.2
97.06561	21.6
99.04453	7.3
104.51572	4.0
105.07040	58.7
107.04960	14.2
107.08588	53.1
109.02889	55.7
109.06525	15.4
109.10155	38.8
111.04428	35.4
111.08087	7.5
113.06031	7.2
115.05434	5.2
117.03389	15.3
117.06999	4.6
119.04951	5.6
119.08594	73.6
121.02882	8.4
121.06544	9.7
121.10136	17.0
123.04446	23.0
123.08100	10.2
123.11713	13.4
125.09577	7.4
127.02995	3.0
127.03914	81.7
128.06160	6.1
129.07001	14.4
129.61194	4.0
130.33763	4.3
131.08563	16.1
133.06531	30.9
133.10127	56.4
135.04457	7.1
135.08054	32.7
135.11696	13.3
137.06012	11.6
137.09583	6.5
137.13240	4.9
139.03915	16.3
142.07794	9.2
143.08537	19.9
145.02829	46.4
145.04927	4.6
145.06554	7.6
145.10095	19.5
147.04453	13.0
147.08069	32.6
147.11644	8.2
149.05994	13.0
149.09593	12.3
151.03914	12.1
151.07576	9.2
151.11208	5.4
157.06474	5.6
157.10152	13.9
159.08104	9.8
159.11722	11.0
161.06039	14.6
161.09627	30.8
163.03975	19.9
163.07607	8.3
163.11249	23.3
165.09151	28.3
166.07806	4.3
167.07027	9.6
169.10139	7.5
171.08099	9.1
171.11676	12.1
173.06004	9.4
173.09610	10.1
175.07617	12.7
175.11281	8.1
177.05476	100.0
179.06970	5.5
179.10663	21.1
181.04948	12.6
181.10182	11.9
182.91624	4.6
183.11620	5.5
184.08897	4.7
185.09654	16.0
185.13277	5.3
187.07545	4.7
187.11113	4.5
189.09138	23.4
191.07101	19.8
193.04913	11.1
197.08153	17.9
199.07655	4.8
199.11200	45.8
201.09135	5.6
203.07074	10.7
205.04964	24.7
205.08617	5.3
207.10187	26.5
209.08041	28.0
215.07072	19.5
215.10561	5.7
217.04976	12.1
217.08696	6.5
217.12285	23.4
221.08160	31.4
223.05957	8.9
225.11224	67.5
229.08618	5.6
233.08070	18.9
235.09711	6.6
235.13341	5.8
239.09126	12.5
241.12268	4.5
245.08101	5.5
251.09114	4.6
257.08093	18.0
259.05942	9.3
259.09827	7.1
263.06470	6.8
263.09158	60.3
267.12299	16.7
275.09146	36.6
283.06097	4.7
293.10220	51.2
295.16867	4.7
297.18497	15.4
305.10449	5.8
311.11298	83.0
315.19525	48.4
331.19049	9.1
333.20468	4.4
351.14435	7.5
357.20737	16.5
369.20389	5.8
375.21741	6.5
423.21674	7.2
441.22760	32.0
459.23691	17.6
616.17383	5.0
653.30725	4.8
810.67578	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	805.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.0
64.30373	1.8
65.03951	3.9
66.37888	1.5
67.05502	22.3
68.99795	3.9
69.03425	12.1
69.07072	6.2
71.04994	26.9
71.19247	2.3
71.19576	1.9
77.03959	2.0
79.05496	21.2
81.03419	22.9
81.07050	22.9
83.01354	2.9
83.04978	8.3
83.08621	2.7
85.02901	9.3
85.06548	1.9
86.32516	2.0
89.96852	1.6
91.05479	28.7
93.07041	37.4
95.04972	14.3
95.08611	18.3
97.02897	36.0
97.06529	16.1
99.04454	5.4
103.05476	4.8
105.03417	1.8
105.07034	52.2
107.04944	15.4
107.08593	41.2
109.02880	42.4
109.03595	3.2
109.06496	11.7
109.10161	43.7
109.10916	2.4
111.04442	20.2
111.08084	7.0
113.06010	4.9
115.03958	2.2
115.05468	3.2
115.67873	1.5
117.07017	11.1
119.04980	3.9
119.08586	61.7
120.11782	1.9
121.02872	11.8
121.06510	12.8
121.10133	18.4
123.04422	19.0
123.08064	12.4
123.11717	6.7
125.06005	3.1
127.03918	68.8
128.06215	5.6
129.06982	10.7
131.04944	3.4
131.08571	14.0
133.06499	12.3
133.10129	44.8
135.04408	4.2
135.08064	28.8
135.11711	7.7
137.05986	7.2
137.09650	8.4
139.03909	17.4
139.07547	2.3
141.07065	2.6
142.07779	5.5
143.08563	17.7
145.04988	6.2
145.06522	7.7
145.10141	14.2
146.07245	2.2
147.04419	15.9
147.08035	32.5
147.11725	5.7
149.05989	4.3
149.09630	14.3
151.03899	10.9
151.07541	4.0
151.11203	4.3
155.07089	2.1
155.08546	6.1
157.06509	5.6
157.10109	11.1
159.08107	5.7
159.11688	5.6
161.05977	6.2
161.09615	33.4
161.13310	3.2
163.03925	18.3
163.07523	6.9
163.11200	21.7
165.05452	3.5
165.06973	4.8
165.09119	31.2
166.07820	4.4
167.08524	2.7
169.05070	2.0
169.06410	2.0
169.10155	3.7
171.08081	6.8
171.11700	8.8
173.02449	1.9
173.05998	5.4
173.09639	5.3
175.03835	2.0
175.07513	11.8
175.11176	5.0
175.14835	2.6
177.05446	9.6
179.07050	6.6
179.10675	21.4
181.04955	6.8
181.10141	10.1
181.12079	2.0
183.02916	2.2
183.08115	2.2
185.05986	2.6
185.09584	17.0
185.11118	2.4
185.13155	2.9
187.03954	2.6
187.07596	5.0
187.11215	3.8
189.05501	5.1
189.09085	28.3
189.12790	5.9
191.07024	21.8
191.10704	6.9
193.04959	11.1
197.08090	21.3
197.09709	3.2
199.07605	2.8
199.11182	46.1
199.14896	2.6
201.05484	4.4
201.09111	6.4
203.07066	10.5
203.09111	5.1
203.10756	5.0
205.04942	31.5
205.08673	2.9
207.06628	2.6
207.10164	33.5
209.08083	35.0
209.09915	3.0
209.11636	2.9
213.05528	4.0
213.09236	2.7
215.03558	1.8
215.07060	19.8
215.09091	3.5
217.04903	8.8
217.08620	5.3
217.12234	25.2
219.13860	3.2
221.08087	29.3
223.06056	13.3
225.11214	90.0
226.11557	1.9
227.12714	1.9
229.04979	2.9
229.08583	8.8
231.06555	3.3
233.08026	13.5
235.06039	4.5
235.09671	5.5
235.13182	8.5
239.09106	18.4
241.04993	6.5
245.08072	7.4
247.09663	5.4
251.09317	2.1
251.17984	2.0
253.15698	2.5
255.06569	1.7
255.17647	2.3
257.08084	16.0
259.06128	6.7
259.09616	11.1
263.09152	57.1
267.12253	20.5
269.19141	2.2
271.06113	3.0
273.18552	2.1
275.09158	45.8
275.11935	3.2
277.14243	3.2
283.05978	4.4
287.09229	4.5
293.10175	51.4
295.06064	2.7
297.13467	2.3
297.18509	9.0
301.06940	2.3
305.10239	5.8
311.11255	100.0
312.11716	2.7
315.19556	38.7
317.10117	4.0
329.12308	7.9
333.13290	9.2
333.20441	1.9
335.11288	4.6
341.10855	1.9
351.14468	7.2
353.12793	2.6
355.15549	5.9
357.20517	12.6
369.20703	8.0
375.21671	4.8
383.11081	2.1
401.12256	2.6
423.21439	13.2
441.22714	30.7
459.23788	10.9
805.46478	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	805.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95166	0.4
57.03419	0.5
57.07060	0.4
59.04992	0.5
59.06129	3.2
60.04511	0.4
65.03940	1.2
65.70599	0.4
67.05169	0.6
67.05505	7.9
69.03432	6.3
69.07059	2.4
71.01324	0.4
71.04998	2.5
71.59555	0.7
73.02914	0.7
77.03927	0.8
79.05492	7.8
81.02972	0.7
81.03422	10.2
81.07063	8.6
83.01342	0.5
83.04986	3.2
83.08612	0.9
85.02908	1.6
85.06528	0.5
85.07652	1.7
86.06037	0.4
89.03922	5.7
91.05482	10.3
93.03410	0.5
93.07047	14.8
94.07379	0.3
95.04980	3.1
95.08611	11.2
97.02897	12.7
97.06535	2.5
99.04449	3.9
99.08074	0.5
101.07142	2.0
102.05510	0.5
103.05464	1.1
103.08704	5.1
105.03416	0.6
105.07033	23.8
107.04967	4.8
107.08601	19.7
109.02882	17.8
109.03532	0.3
109.03660	0.6
109.06514	4.5
109.10155	17.2
111.04444	11.9
111.08089	3.1
113.06005	1.2
115.03902	0.6
115.05439	0.8
116.06288	0.4
117.03384	16.0
117.05555	0.4
117.07009	3.9
118.03638	0.4
119.04922	1.2
119.08583	28.0
120.08905	0.4
121.02852	1.9
121.06499	4.4
121.10137	7.8
123.04444	3.3
123.08081	5.7
123.11733	2.7
125.05960	1.7
125.09615	1.8
127.03921	35.6
128.04218	0.5
128.06235	2.1
129.07013	3.5
130.07762	1.2
131.04892	0.9
131.08568	4.5
131.34326	0.4
133.06500	13.2
133.07452	0.5
133.10136	20.9
134.03633	1.3
134.10547	0.3
135.04407	1.8
135.07091	0.8
135.08057	11.0
135.11707	3.8
137.05988	1.7
137.09599	3.1
139.07521	1.2
141.07008	0.8
142.07843	2.0
143.08562	7.8
144.09189	0.4
145.02849	45.2
145.04932	2.0
145.06488	1.6
145.10127	6.8
146.03200	0.8
146.07262	0.7
147.04379	0.7
147.08051	11.0
147.11685	3.5
148.08414	0.4
149.05984	7.3
149.09615	5.4
151.07547	1.3
151.11198	2.2
153.05632	0.5
153.07002	0.6
155.08527	1.9
156.09399	1.9
157.06500	1.3
157.10138	5.5
158.06104	0.5
158.07304	0.5
159.08040	2.1
159.11700	4.7
161.05963	1.6
161.08279	0.7
161.09621	13.4
161.13260	1.3
162.09926	0.4
163.03909	0.5
163.07547	1.5
163.11185	8.1
165.06975	1.3
165.09120	11.9
166.07741	2.0
167.07037	1.3
167.08485	0.8
167.10666	0.4
169.06509	0.9
169.10123	2.6
170.10860	0.6
171.08051	2.1
171.11702	5.9
173.09593	2.4
173.13252	2.2
175.07545	1.2
175.11191	2.3
177.05472	100.0
178.05771	2.1
179.08594	0.6
179.08992	0.8
179.10669	9.5
181.04976	0.4
181.10118	4.6
181.12282	0.9
183.08147	0.6
183.11684	2.1
184.08849	1.1
185.09641	8.8
185.13158	2.2
186.05479	2.0
187.11221	1.8
187.14789	0.9
189.09111	9.4
189.12706	2.1
191.10696	2.4
193.08606	1.5
195.06502	0.7
195.11670	1.6
197.09621	1.6
197.13251	1.4
199.11177	19.9
199.14885	1.8
200.11543	0.6
201.09058	0.5
201.12807	0.9
203.10721	2.6
203.14355	0.8
205.12338	0.8
207.10153	12.9
207.11996	1.0
209.11690	1.5
209.13345	1.1
211.11168	0.6
211.14836	1.3
213.09138	0.6
213.12769	1.5
213.16283	0.6
215.10596	1.1
217.12236	10.6
219.13835	0.9
221.11688	0.7
225.11218	38.2
225.16190	1.1
226.11592	0.9
227.10765	0.4
227.18019	0.9
229.12321	0.5
231.14003	0.8
235.13170	2.6
237.12936	0.6
237.16374	0.9
241.12277	0.7
241.19469	0.5
249.11209	0.5
251.17896	1.8
253.15869	0.6
253.19469	0.5
255.17404	1.4
259.13397	1.1
267.12241	3.3
267.17374	0.4
269.19019	2.0
271.16910	0.5
273.18561	1.3
277.14337	0.9
279.12274	0.9
279.17444	1.5
285.07709	2.0
285.18445	0.6
287.20038	2.3
293.10223	0.9
295.16812	0.6
297.13416	0.7
297.18484	7.3
301.18146	0.5
311.11322	4.9
313.17908	1.9
315.19556	19.8
316.19904	0.8
327.19376	0.5
329.12094	1.1
331.19070	2.7
332.19077	0.4
333.13251	2.8
333.20477	2.3
341.21246	0.5
351.14392	2.3
351.19513	0.8
356.31998	0.4
357.20612	4.5
369.20636	2.5
375.21844	2.2
393.20529	1.0
395.22141	0.4
405.20682	1.8
413.23230	0.7
423.21646	4.7
441.22739	14.2
442.22818	0.7
457.22015	0.6
459.23801	6.1
477.24576	0.9
592.29047	0.4
653.29565	2.7
690.68793	0.4
787.34882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01775	0.4
57.03439	0.9
59.05009	0.6
59.67487	0.4
63.02383	0.5
65.03942	1.7
67.05502	7.6
69.03437	6.7
69.07072	2.5
69.42165	0.9
69.42564	3.2
71.01362	0.6
71.05001	3.0
73.02921	0.4
78.04740	0.6
79.05497	9.0
81.03420	10.8
81.07064	9.5
83.01347	0.6
83.04982	4.0
83.08628	1.4
85.02914	2.4
89.03910	5.8
89.04414	0.6
91.05485	11.9
93.06462	0.8
93.07050	16.3
95.04971	4.3
95.08608	11.1
97.02896	13.2
97.06535	2.9
99.04453	4.1
101.09897	0.4
103.05477	1.7
105.07036	25.3
106.04199	0.6
107.04955	5.9
107.08596	20.2
109.02885	19.2
109.06526	5.6
109.10159	19.7
109.10920	0.8
111.04449	11.5
111.08084	2.4
113.06030	0.6
115.03928	0.6
115.05455	1.7
117.03389	17.4
117.07025	4.8
119.04948	1.9
119.08585	28.9
121.02846	2.7
121.06503	5.2
121.10147	7.8
123.04458	3.9
123.08083	5.5
123.11723	2.8
124.05240	0.8
125.06008	1.8
125.09641	1.0
127.03922	36.8
128.06232	2.2
129.07022	4.2
130.07790	1.0
131.04927	1.0
131.08562	6.2
133.06499	14.2
133.10133	20.6
134.03642	0.8
135.04428	1.6
135.08061	11.3
135.11700	4.2
137.05986	1.9
137.09619	3.9
137.13263	0.5
139.03839	0.5
139.07581	1.0
141.06995	1.6
141.09073	0.4
142.07784	2.0
143.08569	7.8
144.09341	0.5
145.02853	51.9
145.04955	2.4
145.06447	3.0
145.10120	7.9
146.03206	0.6
146.07343	0.5
147.04417	1.8
147.08046	12.2
147.11696	2.8
149.05981	8.8
149.09636	6.3
151.07567	0.6
151.11185	2.7
153.09088	0.5
155.08553	1.6
156.09348	2.2
157.06537	1.5
157.10123	6.1
158.07292	0.5
159.08060	2.1
159.11716	4.8
161.06015	1.9
161.09630	14.8
161.13260	1.0
162.03125	1.2
163.03912	0.9
163.07523	1.3
163.11188	10.1
165.05646	0.4
165.06953	1.6
165.09111	14.0
166.07768	2.0
167.07066	8.3
167.08560	1.0
169.10172	2.3
170.10902	0.7
171.08064	1.5
171.11696	7.7
173.06020	2.1
173.09592	2.6
173.13243	2.3
175.07578	0.8
175.11234	2.7
175.14871	0.8
176.11980	0.5
177.05476	100.0
178.05794	1.5
179.08476	0.5
179.08975	0.6
179.10667	8.7
181.04982	5.1
181.10104	6.0
181.12032	0.6
183.08047	0.6
183.11688	1.4
184.07401	0.6
184.08838	1.2
185.09631	8.6
185.13255	2.5
186.05353	2.0
187.11142	2.4
187.14838	1.0
189.09111	9.4
189.10751	0.7
189.12691	2.2
189.16418	0.6
191.07045	0.8
191.10692	2.9
193.08591	2.1
193.10158	1.0
195.06529	1.3
195.11722	1.9
197.09599	1.6
197.13261	1.3
199.11194	21.5
199.14793	2.2
201.09142	0.4
201.12817	0.9
203.06998	0.5
203.10649	2.5
205.08466	0.7
205.12224	1.7
207.10158	13.4
207.12030	0.9
209.11684	1.3
209.13422	0.8
211.11281	0.9
211.14824	1.0
213.09105	0.5
213.12750	1.8
213.16373	0.7
215.14281	0.5
217.08784	0.5
217.12239	11.2
219.13698	0.8
221.11681	0.5
223.11183	0.8
223.14767	0.5
223.41130	0.4
225.11211	36.6
227.10680	0.9
227.17928	0.6
229.12079	0.5
231.13797	0.8
233.08029	1.1
233.15154	0.4
235.13020	2.2
237.12843	0.4
237.16301	1.0
241.12181	1.1
241.19531	0.5
249.11157	0.8
251.17986	1.1
253.15808	0.7
253.19637	0.5
255.17482	1.1
259.13327	1.1
267.12228	4.2
267.17371	0.4
269.18961	2.1
273.18536	0.8
277.14285	0.7
279.17462	1.4
285.07614	1.9
287.20035	2.5
293.10226	1.1
295.16782	0.9
297.13300	0.8
297.18481	6.5
299.20004	0.5
301.17953	0.8
311.11243	6.8
312.11301	0.5
313.17999	2.5
315.19568	18.4
329.12082	1.2
331.19003	1.9
333.13297	2.2
333.20691	2.3
341.21036	0.7
351.14383	2.3
351.18997	0.8
357.20618	5.0
364.11511	0.5
369.20541	3.1
375.21521	1.8
381.20685	0.5
385.12973	2.2
393.20380	0.9
395.22055	0.7
405.20322	1.9
413.22888	0.6
417.15247	1.9
421.14651	0.9
423.21750	4.5
441.22781	14.1
442.22946	0.6
445.32764	0.4
459.23801	6.8
477.24850	0.8
643.23633	2.6
653.29779	2.7
769.34406	0.4
787.34027	0.5
805.28864	1.0
810.80762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30327	0.4
57.03438	0.9
59.05003	0.5
62.01649	0.4
63.02380	0.7
64.98891	0.5
65.03947	0.6
66.86236	0.5
67.01868	0.7
67.05497	4.0
69.03431	9.1
69.07072	1.6
71.05008	3.1
71.59706	0.7
71.60062	0.5
73.02911	0.6
78.04721	0.6
79.05507	3.9
81.03420	19.3
81.07059	5.5
83.01318	1.2
83.04980	3.4
83.08597	0.6
85.02912	2.4
86.09727	0.8
89.03905	4.2
91.05470	8.9
93.07043	11.1
95.04977	3.2
95.08610	7.1
96.67088	0.5
97.02895	18.4
97.06548	1.2
99.04453	4.0
101.06018	1.2
103.05481	1.0
105.07028	15.6
105.63096	0.5
107.04942	2.2
107.08597	13.9
109.02880	100.0
109.06519	6.6
109.10130	2.8
111.04449	3.5
111.08083	5.3
113.06029	0.9
115.03916	0.9
115.05490	0.6
117.03381	13.3
117.07027	1.5
119.04968	1.1
119.08583	31.2
120.08128	0.7
121.06508	3.2
121.10145	11.6
122.03606	0.5
123.04446	1.0
123.08068	11.6
123.11715	3.3
124.08867	0.9
125.05981	1.0
125.09630	70.7
126.09955	1.3
127.03918	67.7
128.06204	1.2
129.07040	0.9
130.07828	0.7
131.04874	1.1
131.08578	2.3
133.06494	2.3
133.10132	28.5
135.04437	1.7
135.08041	0.9
135.11684	2.8
136.07642	0.6
137.05981	2.0
137.09610	3.7
138.09164	0.6
143.08560	4.8
145.02847	41.9
145.04964	8.1
145.06386	1.1
145.10110	2.7
146.03200	0.8
146.07173	0.6
147.04410	2.2
147.08049	16.0
147.11681	0.7
149.05994	6.3
149.09634	1.2
151.03902	0.6
151.07552	1.5
151.11171	3.7
153.77759	0.5
155.08537	0.9
157.10152	1.7
158.06055	0.5
159.08054	1.1
159.11722	1.1
161.06000	0.8
161.09624	19.7
162.09958	0.7
163.03920	1.3
163.07498	2.9
163.11201	4.1
165.05669	0.5
165.09111	20.6
167.07053	4.5
171.08041	1.5
171.11729	1.5
175.11171	0.9
177.05472	72.0
178.05801	1.2
179.10664	16.8
179.12177	1.0
181.04944	2.3
181.06340	0.5
184.07303	0.7
186.05486	2.1
187.11128	0.7
187.14815	0.8
189.05569	0.6
189.09108	17.4
191.06961	0.6
193.04948	0.8
195.06589	2.5
207.10175	25.7
215.07082	0.6
215.10585	0.9
221.04373	0.7
225.11217	41.3
226.11639	0.7
229.15938	0.8
231.13705	0.6
233.08028	0.6
233.11769	1.3
243.17543	0.7
249.11168	1.1
250.10944	0.9
251.11896	0.8
253.15869	0.7
263.11780	1.4
267.12219	4.8
267.17407	1.2
271.16980	1.7
277.10733	8.9
279.11343	1.1
285.07504	1.7
285.18552	1.4
289.17865	2.4
291.11389	0.9
295.11777	9.4
295.16797	1.0
297.13394	1.1
303.19492	0.7
313.17947	3.4
315.12274	2.2
331.19037	13.2
333.13373	5.5
337.11737	1.9
349.16037	1.0
349.20102	15.9
351.14441	9.1
357.14377	1.2
367.12689	0.7
367.21051	0.9
369.14426	1.2
391.21161	7.3
392.21259	0.7
393.20538	0.6
409.22159	0.7
417.15588	0.9
421.22061	2.8
439.20880	2.6
457.22205	28.5
458.22543	1.5
475.23297	22.9
476.23489	1.0
493.24280	4.6
520.20569	1.0
522.22290	4.5
593.06213	0.5
593.96393	0.6
643.25635	0.7
669.28589	1.2
684.27515	0.8
725.87103	0.5
730.83649	0.6
769.33978	3.3
787.34796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.0
59.05004	0.8
63.02355	0.8
65.03944	0.9
65.87306	0.3
67.01856	0.3
67.05502	6.9
67.96844	0.3
68.99357	0.3
68.99782	0.4
69.03426	6.1
69.07061	1.6
69.65643	1.9
69.66070	0.6
71.01357	0.7
71.05001	2.1
72.58876	0.3
73.02918	0.4
79.05491	7.6
81.03419	9.9
81.07053	8.7
83.01337	0.6
83.04980	2.5
83.08612	0.8
85.02892	1.5
85.06524	0.5
89.03916	4.8
91.04906	0.4
91.05479	10.6
93.07040	16.6
94.07375	0.5
95.04967	4.4
95.08604	8.6
97.02889	12.5
97.03515	0.8
97.06531	2.3
98.20766	0.7
99.04440	4.2
103.05477	0.7
105.07030	23.8
106.04122	0.4
107.04950	5.6
107.08595	19.7
109.02878	17.3
109.06524	5.9
109.10154	18.8
111.04441	8.5
111.08076	2.0
113.06017	0.5
115.03902	0.9
115.05445	1.2
117.03383	16.8
117.07011	4.1
119.04938	1.3
119.08580	29.4
120.08846	0.3
121.02858	2.1
121.06504	6.0
121.09308	0.5
121.10144	7.4
123.04426	3.9
123.08067	4.4
123.11721	2.3
124.05215	0.3
124.34071	0.4
125.05989	1.8
125.09624	0.5
127.03916	32.5
128.04265	0.4
128.06227	2.7
129.07007	5.0
130.07773	0.9
131.04999	0.6
131.08563	5.6
133.06494	4.1
133.10132	21.8
134.03639	1.1
134.10452	0.7
135.04449	1.6
135.08054	11.4
135.11688	3.8
137.05988	1.5
137.09634	3.8
137.13263	0.6
138.37173	0.4
139.07533	0.9
141.07031	1.5
142.07753	2.2
143.08551	8.6
145.02841	43.1
145.04939	2.2
145.06476	2.1
145.10123	7.0
146.03220	0.5
146.07198	0.7
147.04460	0.6
147.08044	12.9
147.09221	0.7
147.11662	3.1
148.08784	0.3
149.05977	6.8
149.09616	5.4
151.07501	0.6
151.11189	2.3
152.00900	0.3
152.06206	0.4
153.06952	0.4
155.08583	2.0
156.09355	1.2
157.06537	1.7
157.10133	4.6
158.05963	0.5
159.08058	2.2
159.11691	3.1
161.06006	0.7
161.09627	15.9
161.13225	0.8
162.03156	0.5
163.03923	0.8
163.07549	1.2
163.11186	9.6
165.05775	0.4
165.07050	1.7
165.09105	12.3
166.07793	2.6
167.07214	0.4
167.08583	1.2
168.09395	0.3
169.06499	0.4
169.10141	1.7
170.07207	0.6
171.08051	2.8
171.11668	5.8
173.09624	2.1
173.13234	1.3
174.06807	0.4
175.07576	0.6
175.11179	2.4
175.14839	0.4
177.05466	100.0
178.05780	1.9
179.10670	9.5
181.10121	6.1
181.12227	0.6
183.08073	0.5
183.11726	1.2
184.08783	0.9
185.08000	0.7
185.09608	10.2
185.13220	0.9
186.05429	2.3
187.11192	1.9
187.14828	0.6
189.09109	10.1
189.12724	2.5
191.10646	3.1
193.12073	0.5
195.06552	0.6
195.11702	0.6
197.09613	1.2
197.13287	0.7
199.11179	27.5
199.14862	1.0
200.11609	0.4
201.09161	0.5
201.12756	0.7
203.10725	2.6
205.12227	0.8
207.10159	13.4
209.11649	0.9
209.13319	0.7
211.11246	0.5
211.14885	0.4
213.09244	0.4
213.12766	1.1
215.10709	1.0
217.12241	13.9
219.13716	0.5
221.04468	0.8
221.11722	0.5
225.11208	38.7
226.11539	0.6
227.10771	0.6
227.12657	0.5
227.17923	0.7
229.12456	0.5
231.13724	0.5
233.11601	0.5
235.11179	0.5
235.13208	3.8
237.16331	0.8
241.12244	0.6
249.11015	0.7
251.12715	0.4
251.17863	0.9
253.19559	0.4
255.17406	0.8
259.13339	1.0
266.13641	0.4
267.12231	5.2
269.18982	1.3
273.18460	0.7
277.14304	0.6
279.12195	1.5
279.17337	0.8
281.15338	0.7
285.07553	1.3
287.20111	0.8
293.10239	0.9
295.16751	0.6
297.13293	0.7
297.18463	4.0
299.16290	0.4
301.17969	0.8
305.67834	0.3
311.11267	4.0
313.17841	0.9
315.19543	16.2
316.19858	0.4
323.20160	0.4
329.12277	1.5
331.19104	0.6
333.13370	2.5
333.20541	1.0
341.20950	0.9
343.19086	0.3
351.14313	2.6
351.19055	0.7
357.20639	6.1
369.20569	3.6
375.21573	1.2
381.20465	0.5
393.20541	1.0
395.22256	0.7
405.20517	2.0
411.21799	0.4
413.23389	0.8
423.21695	5.7
441.22711	14.1
442.22845	0.6
459.23819	4.4
477.24701	0.6
555.97516	0.4
653.29742	2.3
787.33813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.9
61.02913	0.8
64.18845	0.4
65.03943	5.3
67.05497	2.9
69.03427	6.5
69.07084	0.4
70.06587	0.7
71.12495	0.6
71.12841	0.9
73.02915	1.2
74.58849	0.4
77.03922	0.5
78.04719	3.0
79.05495	2.8
79.46796	0.4
81.03426	2.6
81.07064	2.2
82.04177	1.2
83.04991	2.8
85.02906	8.4
87.04459	0.5
89.03951	0.7
91.05486	8.5
93.03409	1.4
93.07036	1.3
95.04970	5.3
95.08633	1.0
97.02901	4.2
97.06551	2.6
99.00787	0.5
99.04444	1.1
101.02399	0.5
101.58843	0.5
103.05468	2.9
105.03381	0.5
105.04488	0.5
105.07030	2.1
106.04168	1.7
107.04961	5.6
109.02882	1.2
109.06518	0.6
109.10183	0.5
110.03693	2.2
111.04425	3.5
115.05463	7.3
117.03381	0.5
117.07027	9.0
118.04193	0.4
119.04955	12.2
119.08623	0.5
120.54301	0.5
121.02915	0.6
121.05766	0.4
121.06525	3.1
122.03613	0.6
123.00816	0.5
123.04436	7.5
123.08047	0.5
124.05207	2.4
125.06021	2.2
127.03893	1.5
127.05459	1.1
128.06241	0.6
129.05444	1.0
129.06969	0.7
131.04880	3.5
132.05650	0.6
133.06474	1.6
134.03593	0.7
135.04427	1.7
135.08040	0.7
137.05983	3.9
137.13281	0.5
138.03110	0.8
139.03893	1.4
140.04698	0.9
140.10719	0.5
142.02620	1.3
143.04881	1.0
144.05804	0.5
145.02856	1.4
145.06488	15.0
145.07639	0.8
147.04417	54.7
147.08044	1.5
148.04875	1.4
149.05988	4.3
151.03906	2.1
151.07562	1.2
152.04704	2.0
153.05449	1.2
155.06012	3.8
155.07042	0.6
157.04958	0.7
158.07231	0.6
159.04440	1.3
160.05313	0.8
161.05989	4.1
163.03886	2.1
163.07584	0.7
165.05510	1.6
167.07047	100.0
168.07388	1.2
171.06528	4.4
173.06000	22.4
175.06128	0.5
175.07549	1.8
176.04588	0.8
177.05481	6.8
179.07130	0.6
181.04965	80.6
181.08463	1.6
182.05348	1.2
185.06000	0.5
187.03891	0.6
189.05482	0.7
190.06235	0.6
191.07033	3.0
193.08618	4.3
195.06519	0.8
201.05467	2.2
203.07048	5.3
205.08595	7.2
207.06451	0.9
207.08212	0.6
209.08078	4.1
217.08588	1.1
219.06522	2.9
220.07254	0.7
221.08109	1.4
223.07477	0.5
231.06517	1.8
233.05815	0.7
233.08089	8.7
234.08882	2.0
235.07506	1.0
235.09654	8.1
237.09154	0.7
245.08073	0.6
247.07561	0.8
249.07693	0.6
250.06323	1.0
251.06949	1.0
254.09505	0.6
263.09363	0.5
264.07816	1.1
265.08646	1.4
267.06796	0.9
267.09985	0.7
273.06323	0.5
280.07278	0.5
282.08923	1.0
283.09671	1.0
293.08047	1.6
295.06424	0.6
295.09723	0.9
297.11108	2.3
303.08530	4.7
309.07513	0.6
310.08344	2.5
310.11349	0.5
311.09213	1.0
312.09702	0.8
325.10660	3.1
326.11554	1.9
327.08646	0.8
327.12085	0.5
329.13751	0.7
339.12482	0.6
342.10843	0.8
353.10345	1.3
354.11047	0.9
355.11880	0.8
357.13339	10.4
358.13480	0.6
367.11975	0.6
385.12839	32.8
386.13452	1.4
387.14383	6.1
397.12741	3.5
399.14487	1.2
403.13873	6.0
415.13907	7.1
416.14801	2.4
417.15433	12.3
429.10309	0.9
463.34515	0.9
467.13412	2.5
501.84149	0.4
559.17792	0.5
565.20831	0.6
577.19409	2.8
593.15198	4.3
595.20892	2.1
625.22852	1.3
643.23877	30.3
644.24335	1.6
805.29065	27.3
806.28955	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03406	1.2
59.04966	0.4
61.02905	1.1
65.03940	5.9
67.05500	3.1
69.03432	7.8
69.07046	0.5
70.77950	1.2
71.01336	0.3
71.04990	0.6
73.02886	1.4
77.03922	0.5
78.04703	2.8
79.05493	3.2
81.03421	3.1
81.07043	1.4
82.04171	1.6
83.04947	1.4
85.02431	0.6
85.02909	10.9
86.09698	0.7
87.04461	1.0
89.03881	0.6
91.05482	6.7
93.03378	1.3
93.07063	1.9
94.04174	0.4
95.04980	4.9
95.08559	0.4
97.02902	4.9
97.06521	1.8
98.97569	0.6
99.04459	0.8
101.02422	0.4
103.05466	4.0
104.06229	0.4
105.03402	0.7
105.04517	0.4
105.07035	5.6
106.04143	1.5
107.04962	7.5
107.08553	0.5
108.02113	0.6
109.02893	1.9
109.06530	0.9
110.03667	1.9
111.04439	3.9
115.05455	6.3
116.06223	0.5
117.03362	0.8
117.07021	8.6
118.04163	0.9
119.04957	6.3
119.08548	1.1
120.05735	0.5
121.02871	0.4
121.06509	4.1
122.03638	0.6
123.00798	0.5
123.04431	7.6
124.05219	3.3
125.06012	2.9
125.66167	0.4
127.03929	3.1
127.05412	1.2
128.99739	0.4
129.07018	0.7
130.04150	0.6
131.04933	4.5
132.05698	0.8
133.02853	0.5
133.06494	5.4
134.03642	0.9
135.04436	1.9
137.02365	0.4
137.05991	4.3
138.03079	1.2
139.03906	0.9
140.04718	0.8
142.02625	1.4
143.04886	1.4
144.05721	0.8
145.02838	1.6
145.05252	0.7
145.06482	13.9
147.04416	23.9
147.08052	1.7
148.05048	1.2
149.05981	5.5
151.03883	1.6
151.07553	1.7
152.04704	2.5
153.05478	1.3
155.04956	0.5
155.06042	3.4
155.07109	0.5
157.05003	0.7
157.06474	0.4
159.04391	1.5
159.08061	0.6
160.05225	1.4
160.33804	0.4
161.05994	6.2
163.03946	3.1
163.07536	1.2
165.05501	2.7
166.02661	0.5
167.07043	100.0
168.07365	2.1
171.06540	5.1
172.05249	0.9
173.05988	20.6
174.06517	0.9
175.03894	0.5
175.07574	2.9
176.04602	0.9
177.05481	8.2
178.06056	0.3
179.07043	1.8
181.04959	88.5
182.05341	2.7
183.06606	0.5
184.07303	1.0
187.03841	0.4
187.07567	0.7
188.04701	1.1
189.05499	1.0
189.09038	0.6
190.06206	0.8
191.07045	3.5
191.08621	0.5
192.07803	0.5
193.04976	0.5
193.08614	12.1
194.07349	0.7
194.09032	0.4
195.06502	1.2
197.08041	0.4
200.21718	0.4
201.05504	1.4
203.07045	6.3
205.06781	0.4
205.08595	8.3
206.07245	0.6
207.06522	1.3
207.10147	0.5
209.06134	0.4
209.08069	5.5
211.03917	0.4
213.05479	0.6
215.07088	0.5
217.08673	1.5
218.05630	0.6
219.06425	2.2
219.10033	0.6
220.07237	0.9
221.06059	0.8
221.08118	2.0
222.06761	0.7
223.07587	0.4
227.09045	0.5
231.06575	1.6
233.05811	0.9
233.08089	12.1
234.08897	1.1
235.07545	0.5
235.09637	8.0
236.04721	0.5
237.09097	1.0
239.07048	0.8
245.08099	0.7
247.07509	0.8
249.05435	0.9
249.07640	0.8
250.06325	1.5
251.06990	0.8
253.08505	0.9
259.09766	0.6
263.06778	0.6
263.09213	1.1
264.07785	1.0
265.08530	1.9
267.06699	0.6
267.10074	0.7
276.07675	0.6
279.06259	0.6
280.07120	0.6
281.08093	0.7
282.08963	0.7
283.09677	1.2
292.07248	0.4
293.07938	2.2
294.08932	1.0
295.06210	0.4
295.09650	0.7
297.08243	0.4
297.11261	2.1
298.11969	0.6
299.09091	0.7
303.08655	2.3
307.09705	0.7
309.07693	0.6
309.11481	0.5
310.08380	2.4
311.09091	0.6
314.11591	0.7
321.07251	0.6
323.09192	0.5
324.09872	0.6
325.10620	3.0
326.11551	1.6
327.08618	0.9
327.12051	0.5
329.13898	1.2
335.09656	0.4
337.10934	0.6
338.11682	0.4
339.12323	0.8
342.11017	1.4
353.10364	1.6
354.11093	0.5
355.11896	1.3
357.13367	12.2
358.13971	0.9
367.12051	0.9
369.13599	0.6
370.10294	0.6
375.12195	0.4
384.12238	0.5
385.12833	35.4
386.13318	2.3
386.66812	0.4
387.14450	7.4
397.12482	1.9
399.14377	1.7
403.13876	7.6
415.13931	7.7
416.14590	1.5
417.15442	15.4
418.15900	0.7
429.10208	0.5
467.13821	0.5
545.18878	0.4
559.18945	0.5
571.18268	0.8
577.19550	3.4
593.15265	1.7
595.21210	3.3
607.21887	0.6
611.25299	0.8
625.23065	1.7
643.23712	7.8
644.24011	0.7
787.28583	0.6
805.29089	41.3
806.29779	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	805.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.6
58.12689	0.3
60.30720	0.3
61.02910	0.7
65.03941	4.0
66.04719	0.3
67.05508	2.2
69.03136	0.4
69.03431	4.2
69.34078	0.4
69.68475	2.6
73.02888	0.9
73.54236	0.3
75.04446	0.4
77.03932	0.6
78.04715	2.8
79.05513	2.6
81.03435	1.9
81.07046	1.1
82.04182	1.0
82.11334	0.4
83.04959	1.4
85.02914	7.5
87.04449	0.7
89.03896	0.4
91.05486	4.9
93.03404	1.2
93.07024	1.1
95.04975	4.1
95.08578	0.4
97.02906	2.9
97.06539	1.9
98.21407	0.5
99.00842	0.4
103.05478	3.9
105.03404	0.7
105.07038	2.1
106.04178	1.7
107.04967	5.9
108.02081	0.7
109.02853	0.7
109.06532	0.4
110.03670	2.0
111.04441	2.7
112.57343	0.4
115.05459	6.7
117.03377	0.5
117.06214	0.6
117.07024	9.3
118.04128	0.4
118.07328	0.4
119.04955	4.5
119.08577	0.7
121.02892	0.5
121.06545	3.3
123.04444	8.9
124.05194	3.0
125.05966	1.8
127.03913	1.1
127.05428	1.0
128.06155	0.4
129.05481	0.5
129.06958	0.9
130.04109	0.4
131.04924	3.3
133.02838	0.6
133.06485	2.0
134.03609	0.5
135.04431	1.6
137.02313	0.6
137.05977	2.8
137.13220	0.5
138.03120	1.3
139.03914	0.9
140.04637	0.9
142.02637	1.8
143.04909	1.0
144.05695	0.8
145.02829	1.0
145.06494	16.6
146.03627	0.4
147.04414	21.0
147.08041	2.1
148.05150	0.9
149.05986	3.8
151.03922	1.8
151.07568	1.1
152.04680	2.2
153.05482	1.4
155.04863	0.7
155.06046	3.8
155.07013	0.6
159.04436	1.0
160.05200	1.0
161.05992	2.6
163.03937	2.6
163.07588	1.1
165.05473	1.8
165.06735	0.4
165.72704	0.4
167.07048	100.0
168.07372	1.4
171.04431	0.5
171.06551	4.8
172.05238	0.9
173.05998	21.5
174.06578	0.7
175.07541	2.7
177.05493	6.9
178.06020	0.4
179.07063	0.9
181.04965	82.8
181.08484	1.6
182.05336	1.7
183.06528	0.6
187.03917	0.6
188.04742	0.5
189.05504	1.1
189.09042	0.4
190.06273	1.0
191.07030	2.9
191.08617	0.6
192.07669	0.4
193.04979	0.6
193.08604	4.1
194.07288	0.5
195.06538	1.6
201.05452	3.2
202.06081	0.6
203.07059	5.9
205.06691	0.6
205.08595	7.5
207.06494	1.0
207.08266	0.6
207.10115	0.9
209.08098	4.2
209.09886	0.5
213.05539	0.8
213.95955	0.4
217.08627	1.5
219.06425	3.3
219.08257	0.5
220.07266	0.5
221.06203	0.5
221.08052	2.0
222.06731	0.5
231.06517	1.7
233.05826	0.7
233.08086	10.7
234.06854	0.6
234.08876	3.4
235.07550	0.7
235.09648	7.8
236.08102	0.5
237.09149	1.2
241.08629	0.7
245.08031	0.6
247.07574	0.7
249.05423	0.6
250.06300	0.9
251.07153	0.5
252.08060	0.4
254.09448	0.5
259.09744	0.7
263.06934	0.8
263.09335	0.5
264.07785	0.7
265.08609	1.9
267.06491	0.6
271.09760	0.4
277.08661	0.3
278.05914	0.5
279.06461	0.5
281.08109	0.5
282.08942	0.9
283.09619	0.8
291.06555	0.4
293.08102	1.8
294.08905	0.5
295.06427	0.5
295.09628	0.4
297.11255	2.5
299.09082	0.9
303.08707	2.6
307.05914	0.5
307.09464	0.6
309.07666	1.1
310.08340	2.7
311.09158	0.8
313.99164	0.4
325.10672	2.7
326.11502	1.4
327.08777	0.8
327.12274	0.8
328.31033	0.4
329.13791	0.9
335.09082	0.5
337.10898	1.3
338.07800	0.4
339.08560	0.5
341.10287	0.8
342.11096	1.1
345.13412	0.7
353.10345	1.4
354.11166	0.5
355.11871	1.1
357.13348	9.4
365.10223	0.8
367.11966	1.0
370.10547	0.8
385.12836	31.7
386.13416	2.3
387.14352	4.6
397.12857	4.9
398.13388	0.4
399.14679	1.2
403.13943	4.5
415.13943	8.7
415.19556	0.5
416.14655	4.6
417.15497	11.3
418.16159	0.5
429.10214	0.7
433.15405	0.4
467.13550	1.1
577.19196	1.7
593.15143	1.0
595.21252	1.5
625.23334	1.3
643.23877	52.0
644.24335	2.9
700.80597	0.4
805.29193	13.0
805.40259	0.6
806.29620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.7
61.31853	0.2
61.79900	0.3
65.03924	1.2
67.05479	0.3
68.05023	0.4
69.03412	0.8
70.06582	0.6
71.32412	0.4
71.32742	0.3
72.08138	1.1
79.05503	0.7
81.03401	0.9
81.07024	0.9
83.04965	0.3
84.08142	5.4
89.03892	0.8
91.05480	9.8
92.05775	0.5
93.07009	0.8
94.43337	0.3
95.04975	0.6
95.08596	0.5
97.02878	1.0
98.09688	0.6
103.05420	0.3
105.07020	1.1
107.04942	0.7
107.08582	0.6
109.02873	3.7
109.06512	0.4
109.10139	0.4
110.03214	0.5
110.09686	1.2
111.04447	0.3
112.11243	16.7
114.05545	1.8
117.03353	0.7
117.06980	0.3
119.04946	20.1
119.08569	1.6
120.05229	0.3
120.08857	0.3
121.06528	0.4
121.10123	0.7
123.04444	0.3
123.08102	0.6
123.11723	0.4
125.09626	3.6
127.03933	2.7
129.13885	12.9
130.06483	0.3
131.04868	0.6
131.08583	0.3
133.06436	0.6
133.10135	1.3
134.10498	0.5
135.04417	2.5
137.05957	0.7
143.08553	0.3
145.02882	2.2
145.04930	0.4
147.04410	100.0
148.04741	2.0
149.05998	0.4
155.11809	3.4
160.07518	0.3
161.06010	0.4
161.09608	1.0
163.03906	34.9
164.04227	0.9
165.09113	0.9
167.07048	1.0
177.05502	0.5
179.07024	0.3
179.10645	0.6
181.04933	0.5
189.09155	0.5
191.07089	0.5
203.11816	5.8
204.10205	65.8
205.10474	1.4
207.10152	1.1
218.11818	2.1
219.11316	3.9
220.09691	41.9
221.08054	0.4
221.09996	1.0
225.11151	1.4
226.11543	0.4
229.08542	0.3
229.20306	0.4
233.08134	0.3
247.09769	0.8
257.16455	0.3
264.12411	0.5
265.12488	0.3
267.12027	0.3
275.17545	25.5
276.17935	0.8
291.17032	15.4
292.17285	0.7
293.37775	0.3
310.12784	3.9
311.13187	2.1
349.19983	0.4
349.25876	2.0
365.25424	0.5
375.24051	0.4
380.78687	0.3
412.90756	0.3
421.21454	0.7
437.20697	0.7
457.22293	0.4
477.28339	0.6
478.27097	2.3
493.28134	1.1
494.26544	2.4
495.29861	2.0
511.29178	1.9
521.27295	0.5
537.27112	0.6
623.32312	0.7
624.30359	0.9
639.31793	15.7
640.31818	1.9
641.33295	17.1
642.33777	1.7
657.32813	77.4
658.33197	6.2
803.36700	8.1
804.36456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
61.02914	0.2
62.01588	0.2
63.02385	0.6
65.03956	0.2
67.05504	0.6
69.03432	9.1
69.07082	0.3
71.04997	0.9
71.59735	0.3
73.02913	0.2
78.04716	0.2
79.05508	0.9
81.03420	4.7
81.07069	1.3
82.27361	0.1
83.01366	0.2
83.04997	0.3
85.02901	0.3
87.04447	0.4
89.03919	5.3
91.05486	2.0
93.07050	1.9
95.04958	0.6
95.08617	1.1
96.87993	0.2
97.02899	3.2
97.06533	0.7
99.04459	6.0
103.05460	0.5
105.06308	0.2
105.07032	2.9
106.04150	0.2
107.04949	0.2
107.08611	2.6
109.02883	23.0
109.06512	1.2
109.10149	0.6
110.03174	0.2
111.04491	0.7
111.08076	1.0
113.05988	0.2
115.03942	0.2
117.03385	17.2
117.05503	2.7
119.04951	0.4
119.08583	5.6
121.06555	0.8
121.07273	0.1
121.10143	1.9
123.08080	2.0
123.11705	0.5
124.08835	0.4
125.05952	0.2
125.09635	17.4
126.09917	0.2
127.03922	16.2
128.06223	0.2
129.07100	0.2
131.04922	0.2
131.08536	0.3
133.06479	0.4
133.10139	4.8
134.03621	1.0
135.04407	1.9
135.11681	0.7
137.05968	0.6
137.09630	0.7
143.08577	0.7
145.02850	57.4
145.04906	1.7
145.10121	0.4
146.03183	0.6
147.04410	0.5
147.08040	2.8
149.05986	6.6
149.09520	0.2
150.64549	0.1
151.07553	0.4
151.11166	0.6
153.05556	0.2
157.10097	0.3
158.06032	0.4
161.06009	0.3
161.09627	3.6
162.03134	0.4
163.03902	1.8
163.07556	0.2
163.11203	0.6
165.09122	4.3
167.07077	0.5
171.08151	0.2
174.45320	0.1
175.11218	0.2
177.05473	100.0
178.05801	1.3
179.10670	3.3
181.05022	0.3
182.96358	0.1
185.09679	0.1
186.05499	2.4
189.09126	3.3
193.04980	0.2
195.06549	3.9
201.12624	0.1
203.10684	0.1
207.10182	6.0
208.10532	0.2
209.08141	0.2
215.10587	0.2
219.13785	0.2
221.04311	0.2
225.11229	18.5
226.11639	0.3
229.15846	0.2
233.11792	0.3
249.11162	0.2
259.09695	0.2
262.23691	0.2
267.06552	0.3
267.12274	1.9
271.16879	0.6
285.07614	0.6
285.18555	0.4
289.18002	0.6
293.10205	11.7
294.10614	0.2
295.16943	0.3
297.13354	0.5
303.19522	0.3
311.11261	21.4
312.11499	0.4
313.17975	0.9
315.12231	0.6
331.19031	4.4
333.13315	2.1
349.20148	4.4
351.14423	3.2
367.20993	0.5
391.21176	2.3
409.21487	0.2
418.28177	0.2
419.11368	0.7
421.22385	0.8
439.21313	0.8
440.60721	0.2
457.22232	6.4
475.23294	5.3
493.24500	1.0
669.28711	0.3
785.33868	2.3
803.35425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09148	0.7
69.03436	1.4
71.58749	1.1
77.39351	0.6
81.03425	6.9
83.04999	0.6
83.76839	0.6
85.02855	0.5
85.32364	0.6
90.94820	0.6
97.02882	2.4
107.50955	0.6
109.02888	13.9
127.03928	3.6
132.95850	1.0
147.04460	0.9
150.96962	0.8
154.89468	0.6
158.97342	1.0
162.96902	0.8
166.29819	0.7
176.98474	1.3
180.95682	5.0
182.99719	1.0
185.03015	1.0
186.96892	0.6
198.96889	65.3
199.97122	1.2
201.00722	1.9
211.94043	1.3
215.97087	4.9
216.97949	100.0
217.98233	1.7
219.01645	1.2
219.40242	0.6
221.98505	8.2
234.98959	2.2
236.98375	1.0
238.98836	1.0
239.97157	4.6
239.99516	2.3
240.97945	16.6
243.96634	0.5
250.99992	1.4
251.97157	1.2
252.97986	3.2
254.99445	1.0
257.98209	10.4
258.98941	2.0
260.98499	0.6
262.99939	0.7
264.97885	5.0
266.99451	2.3
270.99036	1.5
276.97946	13.8
277.00644	0.6
278.99438	2.4
280.99850	1.0
282.00717	0.7
282.98956	1.9
284.96933	3.2
285.00287	0.8
288.97794	0.9
294.99054	4.4
305.01160	0.7
305.98138	7.5
306.98975	59.0
307.99060	0.8
312.99921	1.7
325.00024	14.5
326.98022	1.8
343.01114	31.1
348.01715	3.1
349.00089	3.4
367.01068	3.9
385.02203	4.3
392.98920	3.4
393.17133	0.6
411.00082	15.3
412.00491	0.8
429.01154	16.3
469.04276	2.6
555.04279	1.7
556.49310	0.6
792.34796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	5.4
61.02929	17.7
61.03220	1.9
65.03924	1.3
66.13896	0.9
67.05504	18.5
69.03429	13.1
69.07080	3.6
69.90846	5.4
71.01355	1.7
71.05002	2.9
73.02917	15.0
79.05499	12.4
80.05849	0.9
81.03419	4.6
81.07056	17.7
83.08618	2.2
85.02906	18.3
91.03948	9.6
91.05461	5.1
93.07035	15.4
95.08612	13.6
97.02899	16.1
97.10182	1.6
99.04496	1.9
101.02381	6.2
105.07053	3.3
107.08588	7.5
109.02891	2.2
109.10149	6.0
113.13293	1.0
115.03942	1.1
117.07081	1.2
118.08675	4.5
119.08615	3.2
121.10161	3.8
127.03939	3.9
129.05428	1.3
131.08603	2.6
133.10149	3.1
135.11729	3.9
145.10095	1.4
161.13351	1.2
173.67732	1.1
184.07455	2.5
185.04285	1.9
191.51727	1.0
203.05392	2.1
243.08401	5.8
335.25824	2.0
519.29303	20.6
797.51709	100.0
798.51953	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	797.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	5.2
61.02930	51.1
65.03933	1.8
67.05526	9.7
69.03442	9.8
69.07054	7.4
69.59870	1.4
71.05005	3.2
71.59531	2.0
71.59919	2.5
73.02924	17.8
79.05485	5.8
81.03403	8.7
81.07063	16.8
83.04993	2.1
83.08644	2.4
85.02908	97.8
91.03961	66.7
91.05476	7.4
93.07042	12.3
95.04984	2.2
95.08612	24.6
97.02904	42.5
97.06576	1.8
97.10146	1.9
99.04455	4.7
101.02359	1.6
103.03920	2.1
105.07018	13.7
106.24788	1.5
107.08595	20.4
109.02856	5.0
109.10172	18.2
111.08096	7.2
115.03915	3.7
119.08584	19.9
121.10156	13.1
123.11720	2.4
127.03928	40.5
129.06955	2.0
131.08578	5.8
133.10126	13.8
135.08104	2.0
135.11682	6.9
145.04967	52.3
145.10109	8.3
147.11708	12.9
149.13240	16.2
159.08171	1.7
159.11679	9.0
161.13261	9.4
163.06021	100.0
163.14844	11.8
164.37523	1.7
169.10162	1.6
171.11752	1.9
173.13280	5.3
174.82294	1.6
175.14818	6.5
177.16382	12.7
181.07005	2.1
184.07378	2.1
185.13213	2.5
187.14824	7.3
189.16379	20.8
191.17990	5.9
195.17404	1.9
199.14828	3.5
201.16440	9.5
201.18060	1.5
203.17966	15.8
205.15912	6.1
205.19699	1.9
207.17416	9.6
211.14972	2.1
213.16415	3.0
215.17941	5.7
217.19496	2.1
219.17613	1.9
221.18961	4.4
225.11086	1.9
227.18097	2.2
229.19463	2.0
235.16972	2.5
239.18137	1.6
243.21115	2.7
247.17027	6.7
249.18259	2.0
253.75053	1.6
255.21005	1.8
261.18491	4.1
295.24387	2.1
315.19113	1.8
325.11234	5.7
363.05005	2.1
391.33755	7.7
397.31149	3.5
409.34662	18.2
425.34122	6.3
435.32788	3.6
437.34216	42.4
453.33542	1.8
455.35254	15.1
455.80338	1.8
489.11810	4.5
629.11273	1.8
688.54169	2.0
797.42236	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	797.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.4
57.07070	3.0
61.02920	3.0
62.32251	1.6
65.03925	2.2
67.05502	12.6
69.03419	9.0
69.07070	10.4
71.01346	2.4
71.60161	2.2
73.02919	13.2
79.05484	12.0
81.03423	3.3
81.07051	30.2
83.04987	5.4
83.08639	7.3
85.02913	14.0
87.04462	1.9
91.03954	1.7
91.05473	13.0
93.07041	28.0
95.01318	7.9
95.04948	2.9
95.08607	46.9
97.02885	13.6
97.06520	5.4
97.10176	3.1
99.04424	1.6
99.08100	2.9
105.07027	32.1
107.08586	45.4
109.02873	1.7
109.06535	2.3
109.10152	32.9
111.08070	3.2
115.03923	6.2
117.07024	5.0
119.08580	59.5
121.06535	2.5
121.10137	34.0
123.08046	3.9
123.11686	9.4
125.09618	11.4
127.03912	5.0
129.06973	3.4
131.08563	24.1
133.05000	4.1
133.10133	37.2
135.08069	1.8
135.11694	19.6
137.09607	3.6
137.13297	2.3
141.01830	23.6
143.08565	5.6
144.09326	1.8
145.10124	42.7
147.11676	25.6
149.09625	4.2
149.13286	9.3
151.11061	1.7
153.09137	2.7
157.10146	7.9
159.02924	4.3
159.11694	32.4
161.05981	2.2
161.09644	2.6
161.13246	25.9
163.07600	1.9
163.11159	4.7
163.14818	15.9
165.12772	1.5
169.10106	3.0
170.56584	1.5
171.11684	9.8
172.12468	2.3
173.09726	1.4
173.13257	31.2
175.14801	23.9
177.05550	1.5
177.09090	3.1
177.12762	2.6
177.16379	16.9
179.10556	2.2
183.11694	2.8
185.13287	5.4
187.14809	44.8
189.16385	41.5
190.97075	1.4
191.14357	5.6
191.17937	14.0
193.15858	4.9
197.13286	3.1
199.14856	14.4
201.16371	70.9
203.14398	2.4
203.17979	19.8
205.15871	9.2
205.19547	2.3
207.13800	1.7
207.17482	3.6
211.14876	3.4
213.16353	18.0
215.17941	24.8
217.15910	7.9
219.17432	25.4
221.15396	3.5
223.16768	1.6
225.16278	2.7
227.17960	3.9
229.19522	8.2
231.17429	8.2
231.29579	1.5
233.15359	2.4
233.19058	4.9
235.16957	9.2
237.18530	3.8
239.18076	2.5
241.19612	3.3
243.21153	2.4
247.16914	24.1
249.18593	4.4
253.19595	1.7
255.21136	1.9
259.17105	1.4
259.20428	2.4
261.18503	14.6
267.20944	2.2
269.22736	2.2
275.20093	5.3
281.22641	5.2
293.22623	1.7
307.23993	1.6
327.23129	11.7
329.24890	3.1
341.24802	4.2
355.26318	2.0
369.04541	1.5
377.32056	5.0
379.33539	1.6
389.32092	8.7
395.29044	3.0
407.33109	38.3
408.33545	2.2
409.34976	3.5
423.32431	9.1
425.34180	11.7
435.32635	47.4
436.32880	3.1
441.33405	1.8
453.33658	82.7
454.33859	2.2
455.74081	1.6
457.33179	2.5
471.34729	100.0
472.34491	3.4
797.43475	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	797.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.4
57.07070	3.0
61.02920	3.0
62.32251	1.6
65.03925	2.2
67.05502	12.6
69.03419	9.0
69.07070	10.4
71.01346	2.4
71.60161	2.2
73.02919	13.2
79.05484	12.0
81.03423	3.3
81.07051	30.2
83.04987	5.4
83.08639	7.3
85.02913	14.0
87.04462	1.9
91.03954	1.7
91.05473	13.0
93.07041	28.0
95.01318	7.9
95.04948	2.9
95.08607	46.9
97.02885	13.6
97.06520	5.4
97.10176	3.1
99.04424	1.6
99.08100	2.9
105.07027	32.1
107.08586	45.4
109.02873	1.7
109.06535	2.3
109.10152	32.9
111.08070	3.2
115.03923	6.2
117.07024	5.0
119.08580	59.5
121.06535	2.5
121.10137	34.0
123.08046	3.9
123.11686	9.4
125.09618	11.4
127.03912	5.0
129.06973	3.4
131.08563	24.1
133.05000	4.1
133.10133	37.2
135.08069	1.8
135.11694	19.6
137.09607	3.6
137.13297	2.3
141.01830	23.6
143.08565	5.6
144.09326	1.8
145.10124	42.7
147.11676	25.6
149.09625	4.2
149.13286	9.3
151.11061	1.7
153.09137	2.7
157.10146	7.9
159.02924	4.3
159.11694	32.4
161.05981	2.2
161.09644	2.6
161.13246	25.9
163.07600	1.9
163.11159	4.7
163.14818	15.9
165.12772	1.5
169.10106	3.0
170.56584	1.5
171.11684	9.8
172.12468	2.3
173.09726	1.4
173.13257	31.2
175.14801	23.9
177.05550	1.5
177.09090	3.1
177.12762	2.6
177.16379	16.9
179.10556	2.2
183.11694	2.8
185.13287	5.4
187.14809	44.8
189.16385	41.5
190.97075	1.4
191.14357	5.6
191.17937	14.0
193.15858	4.9
197.13286	3.1
199.14856	14.4
201.16371	70.9
203.14398	2.4
203.17979	19.8
205.15871	9.2
205.19547	2.3
207.13800	1.7
207.17482	3.6
211.14876	3.4
213.16353	18.0
215.17941	24.8
217.15910	7.9
219.17432	25.4
221.15396	3.5
223.16768	1.6
225.16278	2.7
227.17960	3.9
229.19522	8.2
231.17429	8.2
231.29579	1.5
233.15359	2.4
233.19058	4.9
235.16957	9.2
237.18530	3.8
239.18076	2.5
241.19612	3.3
243.21153	2.4
247.16914	24.1
249.18593	4.4
253.19595	1.7
255.21136	1.9
259.17105	1.4
259.20428	2.4
261.18503	14.6
267.20944	2.2
269.22736	2.2
275.20093	5.3
281.22641	5.2
293.22623	1.7
307.23993	1.6
327.23129	11.7
329.24890	3.1
341.24802	4.2
355.26318	2.0
369.04541	1.5
377.32056	5.0
379.33539	1.6
389.32092	8.7
395.29044	3.0
407.33109	38.3
408.33545	2.2
409.34976	3.5
423.32431	9.1
425.34180	11.7
435.32635	47.4
436.32880	3.1
441.33405	1.8
453.33658	82.7
454.33859	2.2
455.74081	1.6
457.33179	2.5
471.34729	100.0
472.34491	3.4
797.43475	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	797.4314
Annotation	Arganine Q
Peak:m/z	Relative Intensity
57.03434	4.6
57.07076	2.0
67.05508	10.8
69.03427	8.4
69.07069	11.3
71.01362	1.7
71.04987	4.1
71.60162	1.9
73.02916	12.7
75.04478	1.2
79.05495	8.6
81.07054	28.6
83.04974	8.9
83.08613	7.4
85.02903	16.4
86.39963	0.9
87.04479	1.4
91.05471	11.3
93.07041	27.8
95.01319	8.9
95.04955	4.2
95.08604	50.2
97.02895	15.5
97.06522	3.5
97.10162	2.2
99.08073	2.2
103.03944	1.3
105.07025	31.4
107.08593	42.4
108.08981	1.1
109.06532	3.6
109.10157	32.7
111.04432	2.7
111.08083	3.5
113.02374	2.0
115.03920	5.4
117.07000	4.8
119.08579	58.2
121.06496	2.2
121.10137	36.5
123.08054	4.3
123.11699	7.7
125.09637	12.1
127.03912	3.7
128.82375	0.9
129.05487	2.2
129.07037	3.1
131.08569	24.4
133.04964	3.6
133.10120	40.2
135.08040	2.5
135.11670	17.4
137.09619	3.4
137.13263	1.4
141.01825	23.2
143.08575	5.3
143.43745	1.3
144.09320	1.9
145.10123	50.9
147.06511	1.6
147.08005	1.6
147.11679	26.6
147.12799	2.1
149.09625	2.2
149.13264	13.3
151.11169	2.0
153.09120	2.6
156.09343	1.5
157.10104	10.2
158.10907	1.7
159.02896	2.8
159.11693	36.0
161.09647	2.2
161.11971	1.7
161.13252	26.2
163.03874	1.0
163.07518	1.5
163.11180	4.2
163.14821	18.0
165.12770	1.1
167.10666	1.3
169.10085	1.3
170.10927	1.3
171.11668	7.9
172.12582	1.3
173.13258	40.9
175.11160	1.5
175.14825	31.9
177.12796	2.8
177.16380	21.9
179.10695	1.5
179.14401	2.1
183.11707	2.0
185.13293	7.5
186.14122	1.2
187.14816	56.0
188.15202	1.5
189.12784	3.2
189.16376	45.3
191.14276	7.9
191.17967	12.0
193.15866	5.7
197.13254	2.4
199.14815	19.9
201.16371	73.4
202.16820	1.3
203.14311	2.9
203.17960	30.3
205.15852	10.2
205.19482	1.2
207.17401	4.1
211.14847	2.8
213.16383	20.3
215.17969	22.6
216.18376	1.3
217.15891	9.6
217.19447	2.7
219.17438	23.4
221.15352	4.9
223.14816	1.1
223.16936	2.7
225.16415	2.2
227.17871	5.9
229.15923	1.9
229.19466	6.9
231.17424	7.9
233.19034	5.9
235.16884	9.3
237.16310	1.4
237.18515	2.5
239.17993	3.0
241.19482	4.6
243.21082	2.4
245.19011	1.8
247.16902	13.3
249.18489	4.6
253.19514	2.4
255.21086	2.1
259.16971	2.3
261.18527	13.7
262.00656	1.1
265.19659	1.3
267.21045	2.9
269.22586	1.3
273.06192	1.6
275.20004	3.7
281.22617	4.8
283.24188	2.5
295.24200	2.6
327.23154	10.0
341.24734	4.3
343.26529	1.3
349.28848	1.7
355.26001	2.0
377.31934	10.8
387.31003	1.1
389.31946	9.9
391.33871	1.1
395.29214	3.2
395.33725	5.2
405.31335	1.2
407.33093	42.2
409.34735	5.5
423.32504	17.3
425.34088	16.4
435.32608	54.6
436.32922	2.2
441.33588	4.6
453.33633	91.1
454.33850	2.5
456.01605	1.2
457.33133	2.8
471.34683	100.0
472.34933	3.5
489.35513	1.6
549.43469	1.2
583.36267	1.4
601.37341	1.4
629.36884	2.8
770.34338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.5
61.02928	0.8
67.05513	0.9
69.03430	0.6
70.99916	1.1
79.05495	0.8
81.03474	0.5
81.07063	1.0
85.02902	0.8
86.09702	1.2
91.03977	0.7
91.05454	0.6
95.08603	0.6
98.98457	0.5
109.02946	0.5
109.10150	0.7
124.99969	0.6
125.85195	0.5
127.03916	0.6
173.90804	0.4
184.07365	3.2
272.97827	0.5
312.86609	0.5
409.23700	0.5
413.17853	0.7
519.29388	1.3
691.40326	8.8
795.42914	100.0
796.43292	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	795.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.08909	0.3
60.07722	0.3
61.02917	1.5
65.03934	0.9
68.02644	0.3
68.99797	1.2
69.03429	2.2
70.06586	0.8
71.59129	0.4
72.08153	0.4
73.02917	0.4
77.65559	0.2
78.54108	0.3
81.03423	1.5
81.07050	1.0
83.01337	0.3
83.04974	1.3
85.02902	8.3
86.09683	0.6
91.03960	0.6
93.03410	0.6
93.07011	0.4
95.01315	0.5
95.08598	0.4
97.02878	3.1
99.04436	1.3
107.00133	0.3
109.02872	4.1
110.03687	0.4
111.00815	0.4
111.04434	9.8
113.02375	0.6
113.05997	1.5
121.02818	0.4
125.05947	0.5
126.03148	0.8
127.03899	3.5
128.04692	3.1
137.02357	2.1
137.13258	0.4
138.03107	1.2
139.03899	23.4
140.04607	0.4
141.05458	10.2
143.07022	1.0
145.04958	1.4
153.01825	3.4
155.03389	2.9
163.03908	0.9
163.06219	0.3
165.01878	1.0
166.02472	0.3
169.04958	5.9
170.05751	7.5
171.06509	4.1
171.07877	0.4
173.05952	0.4
174.59305	0.3
179.03455	0.6
183.02878	0.4
201.05492	1.1
215.03543	0.4
217.04961	2.3
228.04370	0.5
229.04904	2.3
245.04446	2.7
246.05368	0.5
257.04364	1.5
269.04489	0.4
273.03949	3.9
274.04770	1.2
275.05338	0.5
284.03250	0.6
285.04044	2.2
295.06155	0.5
301.03452	4.1
302.04150	2.9
303.04980	31.3
304.05203	0.5
313.03445	1.4
316.05893	0.4
323.05518	0.6
326.04114	0.6
327.04825	0.4
328.01981	0.7
329.02783	1.5
335.05316	0.6
337.03421	0.4
343.04587	0.6
347.71710	0.3
349.03717	0.4
350.04205	1.4
351.05029	1.2
352.05688	0.8
353.02698	0.7
363.05151	0.4
367.08701	0.4
369.06073	0.5
372.57193	0.3
377.03082	0.7
378.03671	9.0
379.04413	4.3
380.05243	1.1
383.07309	0.4
393.06070	5.4
395.07782	0.6
397.05811	0.6
406.02982	0.4
407.03983	1.6
411.07144	3.6
421.05505	7.3
425.08981	0.4
438.06134	0.9
439.06583	11.1
440.07031	0.4
453.08109	6.7
471.09229	100.0
472.09634	2.1
472.22430	0.3
517.86237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
55.05265	0.9
55.05513	13.2
57.03185	0.7
57.03442	9.9
57.07071	3.0
58.47339	0.6
61.02912	1.9
65.03943	2.8
67.05505	57.9
69.03416	1.0
69.06723	0.9
69.07072	14.2
71.04987	1.5
71.08629	1.1
71.59400	0.9
74.09718	0.6
77.03926	0.8
79.05493	35.8
81.03419	0.9
81.07059	56.2
83.04967	1.5
83.08617	8.5
85.02899	2.2
85.06531	1.8
88.77358	0.5
91.03954	1.1
91.05482	20.9
93.07046	41.9
95.04967	4.2
95.08611	46.3
97.02904	1.2
97.06515	2.0
97.10162	2.8
99.08090	1.5
105.04499	0.8
105.07032	17.5
107.04916	0.5
107.08598	22.3
109.06504	1.7
109.10161	21.7
111.08076	1.4
111.11707	0.7
111.30222	0.5
112.09053	0.4
113.09657	0.5
117.07010	6.8
119.08581	14.4
121.10145	17.4
123.08072	1.4
123.11710	8.4
125.09653	0.5
129.07011	1.6
131.08577	11.5
133.10133	12.0
135.08090	0.5
135.11694	15.2
137.13260	2.7
143.08549	2.3
145.10129	8.9
147.10623	0.9
147.11690	9.5
149.09686	0.8
149.13266	8.0
151.11197	0.6
151.14859	0.8
155.08601	0.6
157.10138	1.5
159.11688	7.5
161.13254	6.8
163.14828	4.2
171.11681	2.1
173.13258	7.4
175.14848	3.5
177.12720	0.8
177.16382	2.0
179.14313	0.6
183.11658	0.7
185.13246	2.4
187.14854	3.0
189.16365	1.3
199.14832	1.3
201.16454	1.3
211.14757	0.7
221.15491	0.6
231.21080	0.7
233.19084	0.8
233.22672	0.9
233.78491	0.5
241.19687	2.9
243.21062	5.4
257.19016	0.9
259.20578	7.8
261.22162	16.8
263.23737	1.6
277.21835	0.7
279.23187	1.0
287.23648	0.5
299.23950	0.7
315.23267	0.7
317.24786	4.0
333.24213	6.5
335.25800	100.0
336.26190	1.5
337.27374	9.7
347.25620	0.7
353.27170	0.6
369.31845	0.6
397.29526	0.6
521.43427	2.7
529.38745	1.0
539.44171	1.1
543.40515	1.0
595.47205	16.3
613.38770	1.0
613.48230	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	791.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
55.05508	2.0
57.03437	0.9
57.07092	0.4
59.04996	0.5
63.02382	0.4
65.03944	1.3
67.05512	2.8
69.03429	9.4
69.07067	1.4
69.51319	3.5
69.51730	0.6
71.05000	2.0
73.02908	1.1
78.04709	0.8
78.42379	0.4
79.05489	4.8
81.03422	18.2
81.07065	6.1
83.01357	0.7
83.04982	1.9
83.08595	0.8
85.02924	2.2
87.04465	0.8
89.03918	3.8
91.05481	8.3
93.03465	0.6
93.07043	9.5
95.04951	2.9
95.08611	6.4
97.02898	19.2
97.06532	1.2
99.04470	3.4
103.05469	1.8
105.07039	15.2
105.07761	0.8
107.04952	4.4
107.08604	13.8
108.05792	0.6
109.02882	100.0
109.06514	6.1
109.10175	3.1
110.03171	0.8
111.04417	2.7
111.08084	4.4
113.05992	1.3
115.03923	1.0
115.05454	1.9
116.98613	0.5
117.03386	11.7
117.07005	2.4
119.04964	1.9
119.08583	31.5
120.05746	1.1
121.06520	3.0
121.09299	1.0
121.10147	11.2
123.04436	1.5
123.08073	9.4
123.11713	2.3
124.08842	1.4
125.09632	73.3
126.09965	1.2
127.03919	67.8
128.04207	0.7
128.06242	1.3
129.06972	1.0
131.04938	2.3
131.08597	1.6
133.06514	2.2
133.10136	26.4
135.04411	1.3
135.08064	1.4
135.11707	2.9
137.05971	3.6
137.09561	3.5
143.04930	0.8
143.08562	4.3
145.02856	34.8
145.04912	8.1
145.06424	3.0
145.10147	1.9
146.03239	0.7
147.04430	1.9
147.08049	15.1
148.05196	1.1
148.08627	0.7
149.05992	5.5
149.09610	0.7
151.03957	0.8
151.07542	1.9
151.11171	2.9
157.10114	1.2
159.08148	0.8
159.11650	1.1
161.05965	1.1
161.09625	18.9
163.03947	1.2
163.07553	1.2
163.11201	2.9
165.05556	2.6
165.09116	18.2
167.07047	16.8
168.07465	0.8
169.10205	0.5
171.06564	1.1
171.08044	1.1
171.11758	0.6
173.05998	3.7
173.09621	0.7
173.13316	0.9
174.06528	0.6
175.07552	0.9
175.11153	0.6
177.05475	59.2
178.05807	1.5
179.09114	0.6
179.10678	14.9
181.04950	15.6
183.11737	0.7
186.05586	0.8
189.09106	14.9
190.09370	0.7
191.07047	1.0
193.04922	0.7
199.11180	0.6
201.05420	0.5
201.12688	0.6
203.07204	0.7
205.08658	1.5
207.10164	22.9
213.12779	0.5
215.10712	0.5
219.06464	0.8
220.07343	1.0
225.11218	40.3
226.11667	0.5
229.15733	0.7
233.08133	1.7
233.11789	0.9
234.08826	0.8
235.09740	2.2
249.11319	1.0
263.09152	2.8
267.12317	3.9
267.17526	0.5
271.16925	1.8
281.10223	14.5
285.07584	2.1
285.18402	1.2
287.12723	0.8
289.17926	2.6
291.09946	0.5
297.11230	1.4
303.19363	0.9
304.33755	0.5
309.57581	0.5
313.18008	2.3
315.12369	2.4
331.19034	13.6
333.13397	5.7
337.07007	0.7
349.16010	1.0
349.20117	14.8
349.24384	0.9
351.14377	9.0
355.11658	0.9
357.13220	0.7
367.21152	1.5
385.12796	3.5
387.14276	1.3
391.21109	7.5
398.13577	1.4
411.21521	0.7
415.13983	1.6
416.14658	14.5
417.15219	2.0
421.22116	2.1
439.21109	2.0
457.22241	23.4
458.22684	0.8
475.23270	16.5
476.23505	0.7
493.24664	2.5
583.21661	0.7
612.22125	0.5
613.22772	9.9
614.22711	0.9
669.28418	0.9
755.31799	0.6
773.33246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.8
58.06606	0.5
60.08162	7.8
60.08471	0.4
61.50050	0.2
67.05484	0.3
71.07369	4.2
71.46460	0.5
86.09703	35.9
87.10023	0.3
95.08612	0.4
98.98463	3.8
104.10736	3.2
124.35126	0.3
124.99999	25.0
130.61194	0.3
143.01051	0.5
149.88446	0.3
152.74568	0.3
166.02654	0.6
179.98625	0.3
184.07335	100.0
185.07684	0.5
188.51933	0.3
309.92865	0.3
433.89969	0.3
523.32391	0.3
690.47260	1.6
772.53992	1.0
790.55798	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	790.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
55.05518	1.4
57.03438	0.7
57.76361	0.3
59.05003	0.3
60.31689	0.2
63.02362	0.4
65.03930	0.6
67.01867	0.3
67.05503	4.0
68.05846	0.3
69.03429	3.0
69.07064	1.1
70.93836	0.3
71.01334	0.2
71.04994	1.4
71.33846	0.5
73.06565	0.2
77.00171	0.2
77.03936	0.4
78.04697	0.3
79.05061	0.4
79.05492	5.0
81.03416	5.3
81.07056	4.8
82.03773	0.4
82.07386	0.5
83.01350	0.3
83.04974	2.1
83.08613	0.8
85.02889	1.3
85.06537	0.4
85.28141	0.3
86.09683	0.3
89.03907	3.9
91.05477	7.7
92.05815	0.8
93.03371	0.3
93.07042	12.3
94.07363	0.8
95.04970	3.5
95.08609	4.9
96.08910	0.5
97.02889	6.8
97.06530	0.9
97.10136	0.3
98.03211	0.5
99.04468	1.5
101.06017	0.4
103.05468	2.8
105.07034	10.5
106.07351	1.4
107.04953	2.8
107.08595	9.5
107.09159	0.2
108.05280	0.3
108.08912	1.5
109.02883	7.1
109.06494	3.0
109.10152	9.3
110.03202	0.8
110.10491	1.1
111.04445	3.8
111.08086	1.1
112.04832	0.4
113.05990	0.2
115.05464	0.5
117.03379	12.6
117.07016	2.4
118.03728	0.8
119.04932	1.2
119.07704	0.2
119.08579	14.0
120.08913	1.8
121.02866	1.1
121.06503	28.3
121.10131	3.4
122.06778	0.3
122.10471	0.6
123.04416	1.8
123.08048	2.7
123.11712	1.5
125.06005	0.5
127.03918	15.8
128.04253	1.6
128.06218	1.0
129.07011	1.6
130.07765	0.4
131.04897	0.5
131.08578	2.2
132.08900	0.3
133.06500	4.3
133.10126	9.3
134.03729	0.5
134.06779	0.3
134.10448	1.5
135.04437	1.7
135.08043	5.0
135.11717	1.7
136.08392	0.6
137.02341	0.3
137.05968	1.0
137.09610	1.4
139.07501	0.5
141.06993	0.6
142.07770	0.5
143.08556	3.5
144.08884	0.4
145.02843	45.0
145.04906	1.3
145.06497	0.9
145.10107	3.2
146.03166	3.3
146.07292	0.3
146.10493	0.6
147.04401	1.0
147.08043	5.6
147.11696	1.5
148.08441	1.1
149.05980	4.7
149.09616	2.4
150.06310	0.5
150.09990	0.6
151.07530	1.3
151.11166	1.2
155.08580	0.9
156.09296	0.5
157.06500	0.8
157.10117	2.8
158.05928	0.4
158.07158	0.3
158.10608	0.5
159.08063	1.1
159.09735	0.3
159.11653	1.8
160.08653	0.3
160.12077	0.4
161.05959	0.4
161.09618	6.3
161.13351	0.5
162.09969	1.2
163.03922	1.0
163.07582	0.6
163.11188	3.3
164.07022	1.4
164.11548	1.3
165.06973	0.6
165.09125	6.3
166.07712	0.9
166.09433	1.1
167.06989	0.4
167.08330	0.3
167.10707	0.3
169.10112	0.8
170.10794	0.3
171.08040	1.0
171.11670	1.9
172.12088	0.5
173.09616	1.1
173.13252	0.5
175.07484	0.4
175.11177	0.8
175.14819	0.3
176.11546	0.4
177.05466	100.0
178.05807	8.8
179.10670	4.1
180.10995	0.9
181.10133	1.9
181.11520	0.3
182.10553	0.5
183.11694	0.5
184.08784	0.5
184.12317	0.2
185.09631	3.8
185.13258	0.8
186.05481	2.6
186.10008	0.9
187.11172	0.9
187.14886	0.3
189.09119	3.9
189.12717	0.9
190.09451	1.1
190.13037	0.3
191.06813	0.3
191.10669	0.9
192.10980	0.3
193.12271	0.6
194.08133	0.6
195.11690	0.6
197.09592	0.4
197.13329	0.8
199.11169	8.6
199.14838	0.8
200.11533	2.6
201.09172	0.4
203.10677	0.7
204.11105	0.4
205.12334	0.4
207.10155	5.4
207.11993	0.4
208.10509	1.2
209.11723	0.4
211.11444	0.3
211.14960	0.4
213.12701	0.4
217.12213	3.8
218.12549	1.4
225.11205	13.6
226.11536	3.7
227.12685	0.3
227.17839	0.3
229.12112	0.3
231.13690	0.3
235.13283	1.1
236.13644	0.3
237.12701	0.3
237.16508	0.3
241.12329	0.5
249.11130	0.3
255.17496	0.5
259.13498	0.3
267.12338	1.1
268.12604	0.5
269.18735	0.5
273.18558	0.5
277.10748	0.3
279.17416	0.5
281.15445	0.3
285.07648	0.7
287.20111	0.7
295.11789	1.9
295.16739	0.3
296.12146	0.6
297.13440	0.3
297.18515	1.9
298.18829	0.6
314.13849	90.3
315.14264	1.3
315.19550	5.7
316.19864	2.7
331.19055	0.6
333.13324	1.1
333.20572	0.5
334.13647	0.6
351.14319	1.0
352.14648	0.5
357.20560	1.4
358.20993	1.1
369.20447	0.6
370.20938	0.7
375.22192	0.5
379.23224	0.3
405.21057	0.4
406.20789	0.4
423.21606	1.1
424.21912	0.9
441.22656	2.9
442.23050	2.7
459.23691	1.1
460.24005	1.2
557.35358	0.3
654.29590	0.7
772.36163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05518	1.8
56.34073	0.4
56.96569	0.4
57.03429	1.1
59.04984	0.4
63.02376	0.4
65.03929	0.8
67.01870	0.4
67.05508	7.2
69.03432	4.7
69.07067	1.4
71.04983	1.2
71.60134	0.6
71.80939	0.3
77.03946	0.5
77.67579	0.4
78.04713	0.5
79.05494	6.3
81.03418	7.9
81.07060	6.4
83.04983	1.8
83.08609	1.0
85.02885	1.7
89.03915	6.5
91.05485	12.6
93.07047	14.1
95.04962	4.3
95.08614	7.3
97.02891	6.8
97.06538	2.3
99.04475	2.4
99.08109	0.4
99.74860	0.4
103.05474	2.6
105.07033	14.4
107.04962	2.6
107.08594	12.2
109.02883	11.1
109.06520	4.0
109.10159	10.1
111.04451	4.0
111.08083	1.7
113.06076	0.4
115.03968	0.5
115.05449	0.7
117.03378	19.0
117.07023	3.3
119.04922	1.1
119.08581	19.4
121.02862	0.9
121.06504	27.7
121.10126	4.2
123.04393	1.8
123.08073	3.0
123.11700	1.6
125.05968	0.9
125.09609	0.5
127.03919	19.6
128.04413	0.5
128.06226	1.2
129.05521	0.5
129.07001	1.8
131.04935	0.6
131.08580	3.4
133.06509	3.5
133.10138	13.7
134.03656	1.1
135.04451	1.9
135.08058	8.0
135.11646	2.1
137.05997	0.9
137.09648	2.8
139.07501	0.6
141.06967	0.5
142.07762	0.8
143.08554	3.0
145.02849	57.7
145.04886	1.5
145.06483	1.2
145.10112	4.3
146.03188	0.9
147.04396	0.6
147.08073	8.4
147.11710	1.8
149.05992	7.4
149.09599	2.7
151.07605	2.2
151.11118	1.8
154.86024	0.4
155.08572	0.9
157.06497	0.6
157.10110	2.1
158.05989	0.8
158.07205	0.5
159.08075	1.1
159.11687	1.5
161.06010	0.9
161.09624	9.4
161.13220	0.7
162.03163	0.5
163.03946	0.8
163.07510	0.7
163.11174	4.5
164.07077	5.7
165.07033	0.8
165.07664	0.6
165.09103	8.6
166.07790	0.9
169.10178	1.0
169.68941	0.4
171.08034	0.9
171.11691	2.5
173.09612	1.2
173.13246	1.1
175.11145	1.3
175.14792	0.5
177.05472	100.0
178.05766	1.6
179.10681	6.6
181.10124	1.8
181.12076	0.6
183.11685	0.9
184.07329	0.8
185.04663	0.4
185.09613	3.5
185.13275	0.9
186.05525	4.1
187.11201	0.6
189.09114	6.5
189.12726	0.7
191.10696	1.0
194.08098	0.5
195.11609	0.6
197.09560	0.4
199.11179	8.8
199.14850	0.6
203.10765	0.9
205.12090	0.5
207.10170	8.1
209.11664	0.8
217.12248	4.4
225.11221	22.8
225.28117	0.4
226.11548	0.5
235.13297	1.2
237.16487	0.6
249.11191	0.5
251.17967	0.6
267.12201	2.9
269.19095	0.9
273.18442	1.0
283.15341	0.8
285.07541	1.0
287.19965	0.7
297.13287	0.6
297.18613	2.5
308.22809	0.4
314.13864	86.5
315.14032	1.4
315.19553	8.8
331.19003	0.8
333.13300	2.3
333.20462	1.2
351.14368	1.9
357.20743	2.2
375.21817	0.6
423.21521	1.4
441.22739	6.3
459.24020	1.9
557.34509	0.6
682.28296	0.6
790.37970	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	790.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05513	2.2
56.86069	0.3
57.03433	0.5
57.07077	0.6
59.44921	0.3
63.02377	0.7
65.03938	1.3
67.05167	0.4
67.05507	5.1
69.03435	3.5
69.07071	1.9
69.62723	1.8
71.04987	1.3
73.02921	0.4
77.03929	0.4
79.05493	5.0
81.02972	0.6
81.03426	6.4
81.07060	5.7
81.84496	0.3
82.56311	0.3
83.01350	0.6
83.04968	1.8
83.08634	0.8
85.02911	1.6
87.04484	0.4
89.03915	6.6
90.42979	0.3
91.05481	8.7
91.95197	0.3
93.06464	0.7
93.07047	11.7
95.04967	3.1
95.08609	6.4
97.02892	6.3
97.06528	1.0
98.21500	0.4
99.04474	1.8
102.61721	0.4
103.05471	3.2
103.31718	0.3
105.07035	13.2
106.04194	0.4
107.04970	2.0
107.08599	11.2
109.02122	0.6
109.02885	11.7
109.06515	3.2
109.10159	11.7
111.04453	6.5
111.08094	1.1
113.06024	0.4
115.03918	0.4
115.05486	0.6
117.03383	19.4
117.07035	1.9
118.03712	0.3
119.04955	1.0
119.08585	17.9
121.06512	27.0
121.10135	5.3
123.04441	0.7
123.08077	2.9
123.11700	1.3
124.05161	0.3
125.05981	0.9
127.03922	20.7
128.06236	0.7
129.05469	0.4
129.07001	1.7
130.07790	0.4
131.04921	0.5
131.08566	3.4
133.06499	11.6
133.10133	12.1
134.03641	1.6
135.04437	2.3
135.08057	7.0
135.11688	2.2
137.05995	1.1
137.09634	1.9
137.13191	0.3
139.07495	0.6
141.07057	0.4
142.07784	1.0
143.08585	3.2
145.02849	59.7
145.04921	1.7
145.06531	0.9
145.10126	4.9
146.03172	1.5
147.04445	0.4
147.08055	6.5
147.11731	1.9
149.05978	7.9
149.09610	3.8
151.07559	3.2
151.11212	1.2
155.08539	0.7
156.09320	0.4
157.06529	0.8
157.10139	3.2
158.06000	0.8
158.10927	0.3
159.08075	1.0
159.11728	3.7
160.91374	0.3
161.05984	0.4
161.09634	7.8
161.13260	0.9
162.03145	0.4
162.09988	0.4
163.03894	0.9
163.07538	0.5
163.11160	3.6
164.07076	5.9
165.07033	0.6
165.07677	0.5
165.09102	7.4
166.07828	0.7
167.10677	0.3
169.10149	1.6
170.10898	0.4
171.08072	1.3
171.11705	3.0
173.09653	1.0
173.13263	1.8
175.11188	1.4
175.14836	0.7
177.05475	100.0
178.05804	2.7
179.10675	5.7
181.10107	2.7
183.11710	0.9
184.07277	0.5
184.08836	0.7
185.09642	3.8
185.13252	1.4
186.05531	4.2
187.11200	1.7
187.14825	0.9
189.09096	5.6
189.12714	0.8
189.16370	0.5
191.10718	1.5
193.10121	0.4
194.08189	0.5
195.11668	0.7
197.09608	0.6
197.13258	1.3
199.11201	6.5
199.13109	0.4
199.14832	1.7
200.11552	0.6
201.12773	0.7
203.10767	0.8
205.12291	0.5
207.10150	8.0
207.13617	0.4
209.11705	0.8
209.13393	0.6
211.14854	1.0
213.12755	0.6
215.07137	0.5
217.12239	3.7
221.11743	0.4
222.14148	0.4
225.11220	18.2
225.16371	0.6
226.11644	0.6
227.10655	0.4
227.17982	0.9
235.13187	0.8
237.12885	0.4
237.16402	0.9
241.19508	0.7
249.16446	0.5
251.18034	1.1
255.17490	0.7
267.12207	1.8
269.19019	1.6
271.16858	0.4
273.18582	1.0
279.17490	1.3
285.07666	1.1
287.19943	1.9
295.17133	0.4
297.13391	0.6
297.18503	5.2
313.18076	0.9
314.13867	85.7
315.14340	2.2
315.19574	13.7
316.19876	0.9
331.19113	1.1
333.13409	1.3
333.20636	1.4
351.14337	1.1
357.20508	1.4
375.21661	1.0
405.20895	0.6
412.67044	0.4
423.21555	1.6
441.17108	0.6
441.22806	5.8
459.23901	2.6
460.24026	0.3
477.24985	0.4
688.59161	0.3
790.37927	5.3
791.38147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05516	3.0
57.03455	0.8
57.35156	0.4
57.78992	0.3
59.05002	0.8
62.01586	0.4
63.02377	0.4
65.03947	1.3
67.01852	0.6
67.05164	0.6
67.05508	8.0
69.03426	6.1
69.07079	3.1
71.04987	2.9
73.02918	0.6
77.03925	0.8
79.05493	7.9
81.03418	10.4
81.07055	7.8
83.01337	1.1
83.04986	5.0
83.08621	1.3
85.02921	1.7
85.06548	0.7
89.03912	5.0
91.05477	10.2
93.07047	14.5
95.04977	4.2
95.08611	11.6
97.02896	13.0
97.06535	3.2
99.04452	3.2
99.08097	0.5
101.06040	1.1
103.05472	1.1
105.07032	23.2
106.07300	0.5
107.04950	5.0
107.08597	20.1
109.02882	18.1
109.06521	6.3
109.10159	17.9
109.10916	0.7
110.03719	0.5
110.10409	0.4
111.04443	11.7
111.08086	2.3
113.06004	1.0
115.03925	1.0
115.05437	0.8
117.03381	16.5
117.07023	3.8
119.04955	1.0
119.08579	28.5
121.02865	1.7
121.06496	4.6
121.10149	9.2
121.58977	0.3
123.04434	3.0
123.08054	6.0
123.11705	3.3
125.06012	1.6
125.09617	0.4
127.03918	37.5
128.04250	0.5
128.06201	2.2
129.07005	3.7
130.07790	0.4
131.04938	1.4
131.08569	5.9
133.06500	14.4
133.10133	21.6
134.03658	1.1
135.04414	1.8
135.08063	11.1
135.09100	0.5
135.11691	3.7
137.05980	1.8
137.09619	3.5
137.13216	0.4
139.07518	1.0
141.07008	1.3
142.07770	2.2
143.08565	8.7
144.09283	0.6
145.02849	49.3
145.04933	3.2
145.06476	2.4
145.10120	8.8
146.03203	1.3
146.07281	0.4
147.04413	1.2
147.08054	12.9
147.09221	0.8
147.11702	3.6
148.04900	0.4
148.08559	0.4
149.05997	7.0
149.09637	6.0
151.07576	0.7
151.11208	2.0
152.06195	0.6
153.07022	0.5
153.09064	0.5
155.08577	1.4
156.09338	1.3
157.06508	1.9
157.10117	6.5
159.08037	2.4
159.11682	4.3
161.05988	0.7
161.09628	15.8
161.13266	1.3
162.03233	0.6
163.03894	1.0
163.07547	1.2
163.11186	9.8
165.05659	0.4
165.06975	1.4
165.09116	13.4
166.07820	2.4
166.09067	0.4
167.07086	0.9
167.08594	1.1
167.10733	0.4
169.10114	3.1
170.07280	0.7
170.10808	0.6
171.08086	2.1
171.11668	6.6
173.09622	3.1
173.13261	1.9
175.07520	0.9
175.11201	2.8
175.14853	0.5
177.05469	100.0
178.05826	2.9
179.09041	0.6
179.10667	9.5
181.04909	0.4
181.10120	5.8
182.10649	0.4
183.08046	0.5
183.11671	1.5
184.08730	0.9
185.09613	9.7
185.13257	1.4
186.05458	2.7
187.07468	0.6
187.11191	3.1
187.14806	1.3
189.07422	0.6
189.09103	10.2
189.12785	2.4
189.16418	0.5
191.07030	0.5
191.10675	2.5
193.08578	0.4
193.10251	0.4
195.06602	1.9
195.11717	1.6
196.12563	0.3
197.09633	1.3
197.13266	1.4
199.11185	21.3
199.14778	2.3
200.15337	0.4
201.09071	0.5
201.12749	1.2
203.10625	2.3
203.14452	0.5
205.12233	1.3
207.08192	0.8
207.10158	14.0
207.11693	0.6
209.09827	0.5
209.11711	1.2
209.13292	1.4
211.11186	0.8
211.14906	0.7
213.09097	0.6
213.12779	1.4
215.10641	1.1
217.12247	10.7
217.15685	0.8
219.13808	1.2
221.04382	0.5
221.11615	0.5
221.52060	0.4
223.11266	0.7
223.14899	0.5
225.11211	34.9
225.16068	0.7
226.11539	0.8
227.10640	0.7
227.14426	0.6
227.17935	0.6
229.12332	0.4
231.13882	0.8
235.13127	2.1
237.12845	0.5
237.16342	1.0
238.53378	0.4
241.12294	0.7
249.11075	0.5
251.17944	1.2
253.15877	0.5
253.19585	0.5
255.13905	0.5
255.17439	1.3
258.19669	0.4
259.13269	1.3
267.06317	0.5
267.12241	3.7
267.17343	0.5
269.18976	2.1
273.18564	1.5
277.10925	3.0
277.14001	0.6
279.17453	1.5
281.15588	0.6
283.16647	0.5
285.07529	1.6
287.17010	0.4
287.19977	2.6
295.08640	0.5
295.11792	8.0
295.16907	0.9
297.13455	0.7
297.18527	7.5
301.18149	0.4
309.18390	0.4
313.12625	0.9
313.18091	1.6
315.19537	20.3
316.19821	0.8
331.18854	1.7
333.13190	2.5
333.20602	1.8
341.20987	0.8
351.14301	2.8
351.18823	0.6
357.20688	5.0
357.25009	0.5
369.20691	2.6
375.21515	1.3
377.20966	0.5
381.20996	0.6
383.22784	0.4
393.20532	1.5
395.22214	0.7
405.20300	1.9
411.21420	0.8
413.23303	0.5
423.21646	5.1
441.22745	13.2
442.22647	0.7
459.23831	5.7
477.24313	0.7
653.29767	2.7
753.34576	0.8
771.35638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
55.05513	2.9
57.03426	0.5
58.84342	0.4
59.05017	0.5
60.36148	0.4
65.03925	1.7
67.05502	8.0
69.03427	7.2
69.04962	0.5
69.06769	0.4
69.07074	3.2
69.07385	0.6
69.36493	3.5
69.36903	0.7
70.72775	0.4
71.04992	2.7
73.02894	1.0
79.05492	8.4
81.03423	10.6
81.07055	8.9
83.01333	0.9
83.04978	4.4
83.08603	0.8
84.55779	0.4
85.02908	1.9
87.04455	0.5
89.03910	4.6
91.05479	12.6
93.07047	15.8
95.04559	0.4
95.04985	4.3
95.08044	0.8
95.08606	10.5
97.02889	12.5
97.06521	2.9
99.04442	3.4
101.06011	1.1
103.03256	0.4
103.05472	1.4
105.03453	0.6
105.04504	0.5
105.07032	24.3
106.07349	0.6
107.04945	4.6
107.08591	19.9
109.02128	0.6
109.02882	17.3
109.06516	5.2
109.10157	18.2
111.04440	10.5
111.08102	2.5
113.05971	0.6
115.05470	1.1
117.03383	15.6
117.07021	4.2
118.03723	0.7
119.04928	1.3
119.08583	30.1
120.08894	0.6
121.02859	1.9
121.06503	4.5
121.10146	8.5
123.04429	4.0
123.08081	5.7
123.11715	2.9
125.05971	2.0
125.09592	1.6
127.03917	34.8
128.06230	2.2
129.07013	3.8
130.07762	0.7
131.04906	1.0
131.08577	5.3
133.06494	13.4
133.10127	20.0
134.03610	0.9
135.04388	2.6
135.07098	0.8
135.08055	10.8
135.11700	3.6
137.05972	1.8
137.09610	3.0
139.07568	0.8
141.06950	1.1
142.07796	2.3
143.08565	7.5
145.02846	51.2
145.04929	2.9
145.06448	2.6
145.10130	7.8
146.03177	1.5
147.04414	1.5
147.08047	12.5
147.11688	3.4
149.06000	8.5
149.09604	6.0
149.13257	0.7
151.03889	0.9
151.07591	0.8
151.11125	2.1
153.06982	0.8
155.08551	2.3
156.09334	2.0
157.06490	1.6
157.10149	6.2
159.08076	1.9
159.11684	4.0
161.05969	1.3
161.09622	17.4
161.13216	1.2
163.03918	1.5
163.07529	1.6
163.11176	9.4
165.05756	0.6
165.06992	1.7
165.09116	13.3
166.07770	2.0
166.09473	0.4
167.07036	2.7
167.08348	0.7
169.06447	0.6
169.10196	2.8
170.10927	0.5
171.08022	2.4
171.11710	5.5
173.09615	2.8
173.13254	1.6
175.07466	0.8
175.11168	2.5
175.14809	0.6
177.05469	100.0
178.05806	3.5
179.05956	0.7
179.08510	0.6
179.08948	0.7
179.10677	9.0
181.04971	1.1
181.10103	4.8
181.12222	1.0
183.11691	1.9
184.08829	1.0
185.09619	9.1
185.13214	1.8
186.05533	2.0
187.07544	0.8
187.11215	3.1
187.14854	0.9
189.09114	9.7
189.12732	2.0
191.10649	3.0
193.08612	1.0
195.06543	2.1
195.11685	1.2
197.09595	1.5
197.13208	0.9
199.11180	20.4
199.14775	2.2
201.12729	0.8
203.10667	2.9
203.14398	0.5
205.08481	0.5
205.12317	1.1
207.10152	12.7
207.13269	0.5
209.11604	0.9
209.13333	1.4
211.14806	1.0
213.12772	1.7
215.06940	0.6
215.10762	0.6
217.08844	0.5
217.12268	10.4
219.13786	1.0
221.11523	0.6
225.11206	36.8
226.11530	1.3
227.17908	1.1
231.13776	0.9
235.13078	2.4
236.15781	0.5
237.16374	1.3
239.10597	0.7
241.12189	0.7
251.17862	1.7
253.15855	0.6
255.17470	1.5
259.13263	1.3
267.12256	2.8
267.17340	0.5
269.18991	1.7
271.16922	0.6
273.18454	1.5
277.10666	2.7
277.13745	0.6
279.12335	0.6
279.17429	1.6
285.07608	2.2
287.20001	2.2
295.11780	9.3
295.16910	0.8
296.12079	0.7
297.13403	0.9
297.18481	6.8
313.13071	0.8
313.17886	1.0
315.19571	21.0
316.19833	0.8
323.84811	0.5
331.19012	2.1
333.13571	3.2
333.20505	1.9
341.20926	1.0
346.88666	0.5
351.14291	2.2
351.19586	0.5
357.20572	4.8
369.16223	0.6
369.20630	2.9
375.21564	2.3
393.20551	1.1
395.22379	0.6
405.20813	1.7
423.21680	5.9
441.22803	12.9
459.23761	6.0
653.29602	2.9
753.34979	0.6
771.35193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
55.05510	3.1
56.96565	0.3
57.03426	1.2
57.07069	0.6
57.74798	0.3
59.05008	0.6
61.03257	0.3
63.02371	0.6
65.03934	1.1
67.01881	0.4
67.05505	8.4
69.03431	6.6
69.07063	2.6
69.38622	2.9
70.11182	0.3
71.01337	0.7
71.04997	2.5
73.02906	0.5
74.29387	0.3
77.03955	0.8
78.04701	0.4
79.05489	9.4
81.03416	10.3
81.06575	0.5
81.07055	9.5
83.01326	0.7
83.04978	3.6
83.08615	1.3
85.02912	2.2
85.06567	0.7
86.09702	0.4
87.04496	0.4
89.03918	5.2
91.05476	13.3
93.03415	0.5
93.07043	17.6
95.04970	5.0
95.08604	10.7
97.02892	13.1
97.06532	2.2
98.21490	0.4
99.04452	4.2
101.06007	0.8
103.05458	1.1
105.03423	0.6
105.07028	26.6
106.04164	0.3
107.04955	7.0
107.08591	22.3
107.89233	0.3
109.02876	16.8
109.06512	6.2
109.10154	21.9
111.04438	8.7
111.08071	2.5
113.05999	0.9
115.03954	0.5
115.05434	1.4
117.03375	16.4
117.07011	4.7
119.04949	1.4
119.08578	30.5
121.02855	2.4
121.06500	7.6
121.10140	8.5
122.10547	0.3
123.04444	4.4
123.08062	6.8
123.11711	3.1
125.05945	2.0
127.03915	34.6
128.06221	3.1
129.06995	5.2
130.07800	1.0
131.04901	0.8
131.08565	7.4
133.06506	3.7
133.10127	22.3
134.03650	0.7
135.04411	1.8
135.08052	12.8
135.11674	4.2
137.06029	1.4
137.09615	4.5
137.13228	1.1
139.03891	0.3
139.07538	1.1
141.06955	1.6
142.07797	2.4
143.08571	9.0
145.02843	49.0
145.04939	2.5
145.06453	2.6
145.10115	8.3
146.03215	0.7
146.07251	0.8
147.04436	0.5
147.08047	14.3
147.11690	3.4
149.05978	8.4
149.07104	0.6
149.09601	6.8
149.13249	0.6
151.03943	0.3
151.07568	0.7
151.11208	2.5
153.05496	0.4
153.07019	0.9
153.09064	0.5
155.08534	2.1
156.09296	1.1
157.06488	1.8
157.10114	5.3
158.06021	0.8
158.07312	0.9
158.10600	0.4
159.08067	3.3
159.11690	3.1
161.06013	1.0
161.09621	18.0
161.13271	1.3
162.03137	0.6
163.03918	0.7
163.07547	0.9
163.11188	11.3
165.07069	2.3
165.09109	15.2
166.07788	3.0
167.08569	0.8
167.10727	0.3
169.06433	0.5
169.10088	2.1
170.07344	0.8
171.08018	2.9
171.11700	6.5
173.09631	2.8
173.13274	1.4
175.07564	0.7
175.11188	3.0
176.11977	0.4
177.05466	100.0
178.05800	1.2
179.10667	10.6
181.06380	0.4
181.10115	8.5
181.12106	0.7
183.08080	0.5
183.11690	0.9
184.07347	0.5
184.08842	1.4
184.10410	0.3
185.09621	10.0
185.13173	1.5
186.05524	3.0
187.05843	0.3
187.07503	0.3
187.11208	2.2
187.14806	0.4
188.08298	0.3
189.09105	11.9
189.12704	2.5
191.10612	2.5
193.10268	0.4
193.12222	0.6
195.06508	2.1
195.11649	1.4
197.09644	1.8
197.13235	0.9
199.11177	27.3
199.14923	0.9
200.11647	0.5
201.09177	0.5
201.12715	0.7
203.10648	2.8
203.14389	0.5
205.12314	0.8
207.10161	15.0
209.09732	0.5
209.11684	1.0
209.13319	0.8
211.11324	0.7
211.14854	0.8
213.09262	0.4
213.12804	1.5
213.16362	0.5
215.10672	0.9
217.12234	13.7
217.46242	0.3
219.13788	0.7
221.04514	0.4
223.11310	0.5
225.11212	40.9
226.11595	0.4
227.10768	0.7
227.12810	0.8
227.17862	0.5
229.12222	0.5
231.13820	0.5
235.13213	3.3
237.12900	0.4
237.16298	0.7
243.12221	0.3
249.10973	0.5
251.18001	0.9
253.15878	0.4
255.13683	0.4
255.17447	0.8
257.08124	0.4
259.13303	0.6
261.07788	0.4
266.13855	0.4
267.06653	0.3
267.12253	4.8
269.18997	1.3
271.16806	0.4
273.18661	0.7
277.10715	2.6
277.13992	0.6
279.12292	0.8
279.17563	0.7
281.15286	0.6
285.07535	1.8
287.20145	0.6
295.11765	9.6
295.16953	0.6
297.13269	1.0
297.18466	3.9
301.18036	0.5
309.18445	0.3
311.16617	0.4
313.12762	1.1
313.17877	0.9
314.13882	4.4
315.19540	15.9
331.18994	0.5
333.13348	2.6
333.20596	1.0
341.21030	1.0
351.14450	2.3
351.19589	1.1
357.20627	6.1
369.20639	4.1
375.21664	1.5
377.20889	0.5
387.19928	0.4
393.20667	0.8
395.22159	0.7
405.20605	2.3
411.21893	0.4
413.23111	0.8
423.21710	6.0
424.22275	0.4
441.22708	14.9
442.23026	0.5
459.23792	4.5
460.23761	0.4
477.24600	0.6
493.27936	0.4
494.28192	0.7
653.29822	2.0
753.34106	0.5
771.35327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.7
65.03923	1.1
69.61803	0.6
69.62210	0.6
70.06552	0.2
72.08140	0.9
84.08144	3.6
89.42451	0.2
91.05479	8.2
98.09662	0.4
110.09677	0.4
112.11239	14.3
119.04940	19.6
129.13875	12.5
144.68489	0.2
146.06079	0.2
147.04407	100.0
148.04715	0.8
155.11786	2.5
181.57541	0.2
203.11795	5.9
204.10199	68.1
205.10542	0.8
218.11708	0.9
275.17529	29.4
276.17960	0.4
292.20212	0.2
304.37378	0.2
349.25916	1.6
358.21503	0.2
375.24020	0.4
421.21213	0.8
477.28534	1.0
478.27032	3.2
495.29587	3.2
503.26392	0.2
521.27435	0.7
549.82196	0.2
623.32214	11.6
624.31335	0.8
641.33319	76.3
642.33649	2.3
787.36890	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.4
58.06600	1.3
63.61159	0.2
65.03930	1.1
68.06135	0.2
68.70644	0.2
69.63062	1.4
70.06574	0.9
72.08156	1.4
79.05471	0.2
81.03400	0.2
81.07040	0.3
84.08141	8.4
86.09671	0.3
91.05476	9.2
93.07036	0.4
97.02892	0.4
98.02335	0.2
98.09676	0.5
105.07008	0.4
107.04922	0.6
107.08562	0.4
109.02891	0.3
110.02400	4.5
110.09663	1.6
111.55552	0.2
112.11238	20.7
117.03364	0.3
119.04938	21.0
120.05212	0.2
127.03909	0.5
129.13872	10.6
131.04907	0.3
133.06477	0.4
135.04369	0.3
137.06024	0.4
137.07088	1.6
138.05498	9.9
145.02823	0.7
146.06079	0.4
147.04402	100.0
148.04736	1.5
149.06024	0.2
155.08183	2.0
155.11763	2.0
156.06497	0.3
160.07539	0.5
161.05930	0.2
162.09058	0.2
163.03922	2.4
167.06973	0.5
177.05472	1.4
179.06866	0.2
181.13354	0.2
181.53490	0.2
183.06383	0.2
203.11789	8.7
204.10193	55.2
205.10519	0.8
209.12854	5.9
210.13289	0.2
218.11728	2.1
257.16574	0.5
263.06967	0.2
275.17523	19.2
276.17990	0.4
317.06570	0.5
332.23483	0.3
350.13770	0.3
367.16434	1.1
380.09695	0.2
421.21194	6.2
429.24890	0.2
450.08371	0.2
477.28552	0.7
478.27234	0.7
495.29767	1.9
557.27411	1.3
575.28625	1.1
623.32233	12.0
624.31689	0.7
641.33307	46.7
642.33563	1.9
667.32178	0.3
769.35486	0.5
787.37012	29.3
788.36829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69662	0.2
58.06579	0.5
63.02352	0.1
65.03936	1.1
69.61971	1.1
72.08139	0.7
79.29869	0.1
84.08144	3.6
91.05480	7.6
98.09688	0.4
106.75257	0.1
110.09699	0.7
112.11247	11.2
113.07129	0.2
119.04944	18.4
129.13882	8.2
129.14680	0.1
131.04922	0.2
146.06065	0.2
147.04410	100.0
148.04730	1.1
155.11787	2.0
160.07584	0.2
178.95166	0.1
203.11810	6.7
204.10202	74.6
205.10513	0.6
216.09975	0.2
218.11732	1.8
257.16568	0.2
275.17538	24.7
276.17844	0.3
292.20407	0.2
311.59116	0.2
349.25925	1.3
375.23901	0.5
421.21201	1.1
477.28687	1.0
478.27075	3.6
479.27084	0.2
495.29657	2.4
521.27606	0.7
623.32251	11.3
624.31659	1.3
641.33344	60.9
642.33563	3.4
787.36877	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	787.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.7
55.05517	8.3
57.03431	3.3
59.05021	1.6
65.03957	3.6
67.05501	28.4
69.03432	18.9
69.07063	7.4
71.01368	3.2
71.04984	3.7
71.33947	3.5
73.02923	2.8
73.60644	1.3
79.05492	28.7
81.02977	2.2
81.03419	27.8
81.07061	27.5
83.04981	8.2
83.08627	3.6
85.02901	10.3
86.09702	2.7
91.05481	39.7
93.07042	43.6
94.04177	3.4
95.04961	13.3
95.08605	30.9
97.02893	38.3
97.06540	7.2
99.04460	6.8
103.03966	2.6
103.05462	22.7
105.03420	2.6
105.04554	1.8
105.07031	81.2
107.04960	15.3
107.08595	48.7
109.02143	2.4
109.02884	34.7
109.06519	14.1
109.10155	54.9
111.04456	19.0
111.08085	6.2
115.05434	13.5
117.03343	1.6
117.07040	16.1
119.04949	2.6
119.08581	78.5
121.02877	4.9
121.06513	16.2
121.10156	22.6
122.03612	5.2
123.04411	9.0
123.08057	17.2
123.11689	7.9
125.06003	4.4
127.03913	47.5
128.06215	7.5
129.06978	11.4
130.07820	2.4
131.04929	42.3
131.08548	15.0
132.05695	2.5
133.02852	12.4
133.06496	33.8
133.10127	61.6
135.04367	2.3
135.08063	25.6
135.11696	11.8
137.05980	84.3
137.09569	8.8
137.13254	2.7
139.07530	2.2
141.07025	10.9
142.07785	4.1
143.04922	5.2
143.06058	3.0
143.08546	18.7
144.05704	4.5
144.09303	1.6
145.04976	5.5
145.06471	11.0
145.10121	21.1
146.03641	2.2
146.07271	1.7
147.04391	2.6
147.08049	34.2
147.11693	7.6
149.05995	7.6
149.09631	10.7
151.03905	11.3
151.07570	6.2
151.11188	6.1
152.06158	2.6
153.06915	2.5
155.04897	3.5
155.08530	4.1
156.09395	2.5
157.06497	5.2
157.10129	9.9
159.04408	2.0
159.08072	6.8
159.11697	9.1
160.05229	4.3
161.05986	47.4
161.07251	2.8
161.09624	39.5
161.13252	1.9
163.03932	3.0
163.07547	29.2
163.11157	17.2
165.05479	4.1
165.06981	4.1
165.09123	34.9
165.10487	2.0
166.07762	4.7
167.07092	1.9
168.05699	1.7
169.06458	13.6
169.10112	4.2
170.07298	1.8
171.08055	5.8
171.11714	10.9
173.09627	5.2
173.13297	2.4
175.07553	19.0
175.11240	6.3
177.05441	8.6
177.09131	3.5
179.07120	2.2
179.08525	1.5
179.08965	1.9
179.10655	24.6
181.06488	3.4
181.10135	11.6
181.12137	2.4
183.04427	5.6
183.08089	3.7
183.11737	2.1
184.08897	2.1
185.05956	2.3
185.09608	16.8
187.07541	20.5
187.11116	3.5
187.14743	2.1
188.04689	8.3
189.05470	2.7
189.09117	30.0
189.12762	3.5
191.07053	10.8
191.08595	3.3
191.10666	5.6
193.06535	1.9
195.08142	2.3
195.11763	2.8
197.05992	11.6
197.09596	4.2
197.13190	1.9
198.06815	3.1
199.07574	7.7
199.11168	37.0
199.14919	2.5
201.05496	2.9
201.09129	6.4
201.12793	2.2
203.07028	44.4
203.10710	5.1
205.06569	4.0
205.08635	5.4
205.12256	4.2
207.10150	32.8
209.11649	2.3
211.07603	4.0
211.14786	2.7
213.09082	3.6
213.12849	2.7
214.06316	2.2
215.07008	21.1
215.10510	2.1
217.08600	2.5
217.12206	13.7
218.07346	2.0
219.08095	3.9
219.13838	1.6
221.11632	1.9
222.06845	1.5
223.07742	2.5
224.08403	1.8
225.05466	4.6
225.09221	3.8
225.11217	100.0
226.06059	1.7
227.07021	4.1
227.10718	1.6
227.18025	2.3
229.08606	23.6
231.08205	1.9
233.08072	28.7
234.06770	2.1
235.07516	1.9
235.13203	3.5
236.08279	2.5
237.09117	5.6
237.12903	1.8
239.07021	3.7
239.10701	2.3
240.07803	2.5
241.08511	10.1
241.12331	3.1
247.07472	2.0
249.09120	2.8
249.11337	3.1
251.10750	5.5
251.17946	1.6
253.08644	4.6
255.17566	2.4
257.08069	36.0
259.09735	2.8
259.13394	1.8
261.09003	2.7
262.06464	2.4
263.10782	1.8
264.07843	1.8
265.08606	5.6
267.10071	1.7
267.12378	16.1
269.18942	2.8
271.09741	2.0
271.17184	1.9
275.09103	11.9
277.08484	9.7
279.10184	5.9
279.17465	2.8
281.11725	3.6
283.09775	9.0
285.11389	3.3
287.19983	3.2
289.08646	2.5
291.10077	4.5
293.10492	1.9
295.09689	3.4
297.11157	13.0
297.18472	11.5
303.10071	3.5
307.09613	1.7
309.11285	8.2
310.11963	1.6
311.12820	15.9
313.18024	3.5
315.19534	30.6
320.10513	2.0
321.11249	5.4
323.12839	14.1
329.11755	2.0
333.13644	2.7
333.20477	3.3
335.09155	2.8
335.12860	4.0
341.21310	2.8
343.09497	1.7
345.11243	2.7
347.12894	3.4
351.14487	2.9
353.13852	5.0
357.20703	6.4
359.12903	2.1
365.13849	2.0
369.20602	5.4
375.22012	1.8
377.13852	4.5
393.20609	1.9
401.13876	14.5
405.20715	3.1
419.14966	11.5
423.21548	6.7
437.15994	6.4
441.22668	19.4
455.16891	3.7
459.24011	3.4
477.26291	2.8
679.26788	1.6
733.33630	3.7
751.34662	3.2
769.36121	2.0
787.35583	3.9
789.68524	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06574	0.5
65.03922	1.0
69.48266	0.4
69.48669	1.3
72.08160	0.9
79.72127	0.2
84.08137	3.3
88.00716	0.2
91.05478	7.0
98.09674	0.3
107.04914	0.2
110.09676	0.5
112.11237	11.4
119.04942	17.9
124.52774	0.2
129.13875	8.7
131.04880	0.3
142.34081	0.2
146.06017	0.2
147.04402	100.0
148.04755	1.2
155.11777	2.1
160.07483	0.2
203.11781	7.5
204.10194	79.8
205.10538	1.3
213.67763	0.2
218.11745	1.9
221.12981	0.2
229.20206	0.3
257.16357	0.3
275.17526	27.9
276.17804	0.8
298.03101	0.2
349.26022	1.2
375.24036	0.4
421.21265	1.2
477.28619	1.3
478.27066	3.6
495.29691	2.8
521.27795	0.9
615.48999	0.2
623.32288	12.7
624.31610	1.3
641.33307	66.0
642.33740	2.7
787.36768	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.2
55.05516	0.2
57.03432	1.1
62.01580	0.2
63.02392	0.4
65.03933	0.2
67.05517	0.9
69.03429	8.3
69.07073	0.4
69.45134	0.1
71.04989	0.6
71.60225	0.1
71.61469	0.2
74.22725	0.1
78.04706	0.3
78.61304	0.1
79.05495	1.1
81.03419	3.1
81.07061	1.0
83.04967	0.3
85.02888	0.2
85.07665	5.1
87.04477	0.2
89.03915	4.6
91.05481	1.8
93.07056	1.9
95.04946	0.5
95.08614	1.5
97.02888	1.6
97.06525	0.4
99.04461	5.1
100.30353	0.1
103.05470	0.3
105.07031	2.6
106.04206	0.2
107.04944	0.6
107.08586	2.4
109.02877	3.3
109.06541	0.7
109.10152	3.2
111.04446	1.6
111.08067	0.3
113.06020	0.2
115.05478	0.1
117.03378	16.1
117.05491	3.2
117.07008	0.4
118.03701	0.3
118.73425	0.2
119.04936	0.3
119.08584	3.5
121.06496	0.7
121.10145	1.1
123.04453	0.4
123.08086	0.7
123.11679	0.4
124.05201	0.2
125.06010	0.2
125.09582	0.3
127.03915	5.5
128.06204	0.2
129.06987	0.3
131.04906	0.3
131.08585	0.7
133.06490	1.9
133.10127	3.2
133.11086	0.3
134.03638	1.1
135.04443	1.5
135.08064	1.9
135.11681	0.5
137.05975	0.4
137.09618	0.5
142.07758	0.2
143.08592	0.8
145.02846	55.4
145.10069	1.0
146.03192	1.3
147.04442	0.3
147.08067	1.6
147.11674	0.4
149.05983	6.3
149.09622	0.9
151.11191	0.4
153.05539	0.2
157.06506	0.2
157.10091	0.6
158.06000	0.4
159.08031	0.3
159.11699	0.5
160.38432	0.1
161.06012	0.7
161.09642	2.1
161.13371	0.2
162.03128	0.3
163.03915	1.4
163.07558	0.2
163.11168	1.4
165.09119	2.3
169.10112	0.3
171.08046	0.3
171.11714	0.9
173.09671	0.4
173.13274	0.2
175.07500	0.2
175.11198	0.4
177.05470	100.0
178.05801	2.8
179.10686	1.4
181.10121	0.6
183.11617	0.1
185.09595	1.3
186.05521	2.3
186.14001	0.2
187.11244	0.4
189.09079	1.6
189.12753	0.4
191.10667	0.5
193.08598	0.5
195.06531	4.8
195.11687	0.2
197.13303	0.2
199.11192	3.8
199.14793	0.2
201.09026	0.2
203.10658	0.4
205.12224	0.3
207.10156	2.6
208.10489	0.2
209.11626	0.3
209.13362	0.2
213.12779	0.2
215.10739	0.2
217.12282	1.6
217.16042	0.2
219.13890	0.3
221.11717	0.2
225.11217	9.9
226.11559	0.4
227.48003	0.1
229.08766	0.2
235.13249	0.3
241.08679	0.2
249.11322	0.2
251.17903	0.2
255.17577	0.2
259.13202	0.2
260.58197	0.1
267.12250	1.1
269.18997	0.6
273.59320	0.2
279.12311	0.1
279.17346	0.2
285.07584	0.6
287.19955	0.6
293.10208	7.3
294.10455	0.3
297.18494	1.8
311.11243	29.2
312.11533	1.0
313.17935	0.4
315.19565	4.8
316.19992	0.3
331.19073	0.3
333.13379	0.8
333.20700	0.5
345.98676	0.1
351.14346	0.6
351.18475	0.1
357.20615	1.2
360.87277	0.1
369.20486	0.2
375.21683	0.4
423.21802	0.8
441.22705	2.1
459.23642	0.9
477.24976	0.3
488.36188	0.1
653.29865	0.2
769.34149	1.1
787.35315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.0
73.81766	0.2
81.03400	0.6
84.96045	0.4
97.02889	0.2
98.97583	3.9
100.91479	0.2
105.54492	0.2
107.18446	0.2
109.02875	2.3
110.97612	0.3
116.97818	0.4
116.98619	5.5
116.99436	0.3
127.03946	1.9
134.99660	3.9
143.00166	0.9
146.99640	0.4
147.04419	0.4
149.01213	0.3
153.00690	0.8
158.01236	0.4
158.99635	0.9
161.01222	1.5
164.98521	4.4
166.80023	0.2
173.01227	0.3
177.00723	2.5
179.02267	0.6
182.99655	26.0
184.00002	0.3
185.01285	0.4
195.01779	0.4
199.99860	0.4
200.02315	0.3
201.00711	100.0
202.01086	1.0
203.00812	0.3
203.02310	0.6
206.01268	1.5
217.00182	0.2
219.01773	31.4
220.02132	0.4
221.03181	0.3
224.02318	4.4
225.00688	1.5
225.02696	0.3
237.02827	0.9
239.02252	0.6
242.01027	0.4
242.03273	1.0
243.01772	4.6
249.00691	0.7
251.02173	0.7
255.01842	0.4
257.03336	0.8
261.00549	0.3
261.02921	1.8
266.03366	0.3
267.01804	1.8
269.03415	1.3
279.01794	0.8
285.02783	0.7
287.04489	0.6
291.01691	2.8
297.02762	1.0
309.02805	8.3
327.03900	9.3
332.04379	0.3
333.02750	0.3
345.04941	5.8
351.03894	14.0
352.04385	0.3
368.06558	0.5
369.04929	14.5
370.05313	0.3
387.05991	3.8
410.07465	0.7
411.05988	0.6
413.03995	2.2
431.04706	0.5
449.13525	0.4
453.07062	5.6
454.07214	0.3
495.08118	46.3
496.08499	2.0
537.09229	1.3
580.47241	0.2
638.14935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.1
57.07075	1.1
60.08112	0.8
65.03945	2.4
67.05501	18.3
69.07064	6.7
70.06573	2.0
70.20290	3.5
70.96046	0.8
79.05489	13.5
81.03444	1.0
81.07053	18.0
83.05001	2.1
83.08633	2.2
86.09696	1.3
89.03904	7.4
89.98064	0.7
91.05475	24.4
91.62003	0.9
93.07035	14.6
95.04964	5.4
95.08609	19.3
97.02910	1.0
97.10149	1.0
103.05482	1.0
105.07024	49.9
107.04961	2.7
107.08587	15.4
109.06509	1.3
109.10148	17.0
111.04491	1.6
115.05460	0.8
117.03375	8.2
117.07040	3.5
119.08572	36.0
121.10137	9.8
123.11687	5.6
131.08539	3.8
133.10121	20.6
133.11063	1.2
135.04405	20.5
135.05403	1.1
135.11707	2.0
145.02835	15.9
145.10106	4.0
147.04359	0.7
147.11679	62.1
149.02333	1.2
156.08142	2.3
157.08907	0.9
158.09659	4.2
159.11728	2.9
161.13264	8.2
162.05522	1.4
163.03899	100.0
164.04150	0.9
170.06067	2.6
174.09116	7.0
175.06256	0.9
175.14919	2.4
176.07121	1.6
176.10762	0.8
184.07506	6.8
186.05476	1.5
186.09149	5.5
188.07034	6.7
200.07068	1.2
201.16434	3.2
202.08617	62.1
203.09384	5.6
203.17943	43.1
204.10196	22.1
204.12012	1.3
214.08694	2.4
215.09486	3.3
216.10274	1.8
220.09706	7.8
230.08113	81.6
232.09758	1.6
234.11325	1.5
240.10272	0.8
246.07553	5.2
248.09169	72.3
249.09921	2.3
254.11972	1.0
262.10779	1.5
267.16043	1.1
318.14960	0.8
319.08032	1.0
337.09155	14.0
344.20163	1.0
345.20908	1.1
357.13513	0.9
360.19821	0.9
361.20493	2.4
386.24939	1.7
390.24414	1.3
404.13550	1.1
404.25787	11.4
406.27481	4.0
414.24557	2.1
422.14386	6.2
423.15945	0.9
432.25342	15.5
450.26431	8.3
543.30609	0.9
566.16577	1.0
584.17596	92.0
585.18268	3.8
599.57739	1.0
624.31677	4.8
627.46979	0.9
740.34399	2.4
768.34064	3.9
768.46637	1.0
786.34747	60.0
787.35419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.6
58.06629	0.5
59.07388	0.2
60.08166	5.4
60.38886	0.1
64.80529	0.1
67.05489	0.2
70.06607	0.1
71.07378	2.6
71.51102	0.1
71.51424	0.1
80.97442	0.1
81.07027	0.1
86.09708	26.4
87.10045	0.2
95.08592	0.1
98.98471	2.6
104.10745	1.9
116.99499	0.2
118.66200	0.1
121.35432	0.1
125.00009	18.6
143.01065	0.4
166.02693	0.3
168.46571	0.1
184.07347	100.0
185.07703	0.9
208.95560	0.1
210.97701	0.2
305.57986	0.1
502.32642	0.1
518.32404	0.2
520.33533	0.1
619.32660	0.1
780.55383	3.7
781.55389	0.3
813.49847	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	786.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.1
57.07075	1.1
60.08112	0.8
65.03945	2.4
67.05501	18.3
69.07064	6.7
70.06573	2.0
70.20290	3.5
70.96046	0.8
79.05489	13.5
81.03444	1.0
81.07053	18.0
83.05001	2.1
83.08633	2.2
86.09696	1.3
89.03904	7.4
89.98064	0.7
91.05475	24.4
91.62003	0.9
93.07035	14.6
95.04964	5.4
95.08609	19.3
97.02910	1.0
97.10149	1.0
103.05482	1.0
105.07024	49.9
107.04961	2.7
107.08587	15.4
109.06509	1.3
109.10148	17.0
111.04491	1.6
115.05460	0.8
117.03375	8.2
117.07040	3.5
119.08572	36.0
121.10137	9.8
123.11687	5.6
131.08539	3.8
133.10121	20.6
133.11063	1.2
135.04405	20.5
135.05403	1.1
135.11707	2.0
145.02835	15.9
145.10106	4.0
147.04359	0.7
147.11679	62.1
149.02333	1.2
156.08142	2.3
157.08907	0.9
158.09659	4.2
159.11728	2.9
161.13264	8.2
162.05522	1.4
163.03899	100.0
164.04150	0.9
170.06067	2.6
174.09116	7.0
175.06256	0.9
175.14919	2.4
176.07121	1.6
176.10762	0.8
184.07506	6.8
186.05476	1.5
186.09149	5.5
188.07034	6.7
200.07068	1.2
201.16434	3.2
202.08617	62.1
203.09384	5.6
203.17943	43.1
204.10196	22.1
204.12012	1.3
214.08694	2.4
215.09486	3.3
216.10274	1.8
220.09706	7.8
230.08113	81.6
232.09758	1.6
234.11325	1.5
240.10272	0.8
246.07553	5.2
248.09169	72.3
249.09921	2.3
254.11972	1.0
262.10779	1.5
267.16043	1.1
318.14960	0.8
319.08032	1.0
337.09155	14.0
344.20163	1.0
345.20908	1.1
357.13513	0.9
360.19821	0.9
361.20493	2.4
386.24939	1.7
390.24414	1.3
404.13550	1.1
404.25787	11.4
406.27481	4.0
414.24557	2.1
422.14386	6.2
423.15945	0.9
432.25342	15.5
450.26431	8.3
543.30609	0.9
566.16577	1.0
584.17596	92.0
585.18268	3.8
599.57739	1.0
624.31677	4.8
627.46979	0.9
740.34399	2.4
768.34064	3.9
768.46637	1.0
786.34747	60.0
787.35419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	68.4
60.08165	0.8
65.35733	0.4
67.05516	0.4
69.03432	4.0
70.05566	2.1
71.05008	0.8
71.07375	0.5
81.03411	7.8
81.07020	0.5
85.06540	100.0
86.06891	0.6
86.09708	4.5
97.02888	93.5
98.03210	0.6
98.98500	0.6
99.04485	2.1
103.07578	4.7
105.07019	0.6
108.24258	0.5
109.02876	58.9
110.03217	0.9
116.57072	0.5
124.99998	3.3
127.03912	54.3
181.08588	35.5
184.07330	14.3
195.97668	0.5
200.41133	0.4
206.03088	0.5
211.09647	35.5
212.09923	0.9
229.10692	2.3
295.15384	8.9
298.21353	0.5
313.16437	12.4
331.17496	23.6
331.21478	1.1
375.36322	0.4
415.23096	2.3
592.76324	0.5
691.03174	0.5
691.40247	0.6
758.21527	0.4
780.41687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.05514	1.5
57.03433	2.1
57.07073	0.4
59.05002	0.5
60.08155	0.6
61.02928	4.9
67.05502	4.6
68.97633	0.4
69.03439	2.9
69.07081	1.5
70.04482	1.9
71.01351	0.6
71.04987	1.0
71.07356	0.5
73.02917	3.9
74.91289	0.3
79.05496	3.3
81.03419	2.7
81.07059	5.3
83.04998	0.5
83.08623	0.9
85.02912	6.0
85.03427	0.4
86.09706	3.2
87.04470	0.5
87.10015	0.5
89.77544	0.3
91.03947	2.9
91.04350	0.2
91.05475	2.3
93.07053	3.7
95.04988	0.8
95.08608	4.0
97.02888	4.5
97.06516	0.7
97.10223	0.3
99.04453	1.2
101.02400	1.3
103.03970	0.6
105.07029	2.2
107.04926	0.3
107.08597	2.5
109.02859	0.8
109.10166	1.3
111.08052	0.5
115.03986	0.4
117.06994	0.4
119.08616	1.7
121.10168	2.5
123.11720	0.4
125.00017	2.8
127.03922	1.5
129.06985	0.4
131.08612	1.3
133.10144	1.3
135.11736	0.9
143.08585	0.3
145.05045	0.4
145.10144	0.6
147.11708	1.2
149.09671	1.2
149.13271	0.7
149.31888	0.3
157.10127	0.6
159.11716	0.6
184.07335	11.6
185.04172	0.4
185.07678	1.8
193.12292	0.7
197.15302	0.3
202.50577	0.4
203.05298	0.6
225.15057	0.3
243.08336	2.2
255.16298	0.3
283.15204	6.3
288.00916	0.3
301.21503	0.3
311.94940	0.3
335.26025	0.9
339.17859	0.6
368.91122	0.3
465.86752	0.4
469.20871	0.4
501.23016	6.9
502.23111	0.6
519.29297	9.6
536.21869	0.3
674.43768	0.3
675.44678	0.4
750.86548	0.3
779.45471	100.0
780.45752	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	780.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	61.8
60.08149	0.4
67.01866	0.9
67.05502	0.5
69.03428	0.8
69.53693	0.3
70.56096	0.7
70.56493	0.5
71.07380	0.5
75.88081	0.3
81.03414	13.3
81.07050	0.3
85.02928	0.7
85.06538	65.1
86.06856	0.4
86.09700	3.8
93.07027	0.3
95.08633	0.3
97.02866	1.8
98.21414	0.4
99.04484	1.5
104.10730	0.3
109.02874	100.0
110.03214	0.6
124.18708	0.4
125.00032	1.7
126.55925	0.3
127.03908	19.0
147.62885	0.3
162.27379	0.3
165.09158	0.3
169.08516	0.4
182.10327	0.4
184.07341	12.1
184.08995	0.6
185.07649	0.5
191.67807	0.3
210.28337	0.3
211.09639	84.9
212.09904	0.8
227.10844	0.4
229.10689	3.2
295.15390	33.9
313.16312	1.5
317.99783	0.3
331.17529	5.8
415.23279	10.4
731.80066	0.3
780.40698	0.5
780.54163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
55.05515	1.6
57.03434	0.4
57.07054	0.2
59.05003	0.2
60.11614	0.2
65.03941	0.9
67.01881	0.3
67.05511	1.8
68.99822	0.6
69.03430	2.6
69.07073	1.4
70.94181	0.4
70.94569	0.5
71.01357	0.2
71.04993	1.7
79.05486	1.5
79.12445	0.2
81.03417	9.6
81.07053	3.3
83.01337	0.8
83.04974	0.8
83.08620	1.1
85.02910	1.1
85.06534	0.6
91.05483	2.1
93.07055	2.4
95.04970	1.4
95.08607	5.8
96.08935	0.2
97.02894	2.5
97.06522	0.9
97.10173	1.2
99.04460	1.6
103.05464	0.4
105.03368	0.4
105.07036	3.8
107.04969	0.7
107.08600	4.0
109.02884	25.5
109.06519	2.0
109.10163	2.5
111.00812	0.5
111.04450	4.5
111.08088	2.6
113.06002	1.8
115.05386	0.3
117.07031	1.1
119.04926	0.5
119.08585	6.4
121.02873	2.7
121.06506	0.9
121.10146	2.6
123.08057	1.6
123.11693	0.8
125.02394	0.2
125.05998	0.5
125.09611	1.7
127.03921	51.4
128.04263	0.9
128.06239	0.4
129.07019	0.6
130.07797	0.3
131.04993	0.3
131.08571	2.2
133.02832	0.3
133.06491	0.7
133.08597	0.2
133.10139	5.1
135.04417	0.3
135.08058	1.1
135.11714	0.7
137.02336	0.5
137.05984	0.5
137.09668	0.9
139.03906	7.9
141.07030	0.4
142.07840	0.5
143.08594	1.6
145.04942	1.1
145.06488	1.0
145.10130	3.4
146.07318	0.3
147.04411	0.8
147.08055	1.9
147.11731	1.4
149.06007	0.5
149.09612	1.0
149.13283	0.9
151.03925	0.2
151.07556	0.4
151.11163	0.2
153.01833	3.5
153.05399	1.0
155.08560	0.6
156.09398	0.3
156.80611	0.2
157.06502	0.6
157.10132	2.4
159.08070	2.4
159.11674	2.7
161.05968	0.6
161.09624	3.6
161.13219	1.0
163.07541	1.1
163.11243	0.6
165.01846	1.6
165.05460	0.4
165.09155	1.3
167.07167	0.3
169.10060	1.5
170.10884	0.4
171.08037	0.2
171.11690	2.1
173.06094	0.4
173.09628	1.9
173.13255	1.3
175.07535	1.0
175.11194	1.0
175.14880	0.3
177.05643	0.3
177.09120	1.3
177.12801	0.3
179.08632	0.2
179.10631	1.0
181.10045	0.3
183.02869	1.0
183.11705	1.2
185.06015	0.4
185.09666	0.6
185.13329	1.1
187.07582	0.6
187.11179	1.4
187.14838	1.7
189.05460	0.3
189.09096	2.3
189.12744	0.7
191.10698	0.7
191.14346	0.3
193.08591	0.4
193.10231	0.4
193.12241	0.4
195.11682	0.4
196.12399	0.3
197.09593	0.6
197.13287	1.0
199.11163	0.4
199.14888	0.6
201.05453	0.3
201.09094	1.3
201.12769	0.6
201.16393	0.3
203.06964	0.3
203.10716	1.9
203.14418	0.4
205.08661	1.2
205.12234	0.5
207.10182	0.9
207.11893	0.3
209.13400	0.3
209.15318	0.3
211.11159	0.7
211.14789	1.0
213.05490	1.5
213.12767	0.5
213.16399	0.2
215.10718	1.7
215.14310	0.3
217.08675	0.4
217.12271	0.7
219.10081	0.4
221.11586	0.3
223.09587	0.3
223.14828	0.4
225.09319	0.3
225.11256	0.8
225.16382	1.4
227.14375	0.6
229.12286	0.6
229.15919	0.8
231.06575	0.7
231.10133	0.3
231.13892	0.4
233.11740	0.5
239.17970	0.7
241.05014	0.8
243.10239	0.3
243.13878	0.5
243.17511	0.7
245.15237	0.2
247.05902	0.2
247.16930	0.3
249.11214	0.3
249.16492	0.3
253.15889	0.7
257.19012	0.7
258.05313	1.1
259.06158	0.4
261.11337	0.4
265.10715	0.4
267.17447	1.6
269.04318	0.2
271.16904	1.5
275.12918	0.2
279.12183	0.3
285.18433	3.1
287.05502	100.0
288.05829	2.7
289.18021	0.4
295.16989	1.3
303.19626	0.9
311.05466	0.4
313.17957	3.5
329.06656	1.4
331.19031	6.7
349.20099	22.6
350.20425	0.7
353.06567	0.6
373.20090	0.5
377.06577	0.5
383.22388	0.3
390.22647	0.4
391.21161	22.6
392.21411	1.0
395.07587	0.5
411.21609	0.5
421.21170	0.4
429.22513	0.5
439.21390	1.4
457.22214	10.7
458.22607	0.4
475.23294	7.8
493.24435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5372
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05028	0.6
56.92516	0.1
58.06631	0.4
60.08161	5.3
67.05502	0.2
69.99686	0.4
71.07368	2.8
79.05518	0.2
81.07054	0.1
86.09702	28.4
87.10054	0.2
93.07052	0.2
94.14217	0.1
95.08604	0.1
98.98459	3.2
101.51839	0.1
104.10737	1.6
108.33019	0.1
124.99998	20.2
143.01033	0.4
166.02618	0.3
167.02896	0.1
184.07332	100.0
185.07730	0.7
240.14870	0.1
518.31970	0.3
736.21271	0.1
778.53796	3.1
779.53772	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05508	1.3
57.03428	0.4
58.51683	0.2
60.04605	0.2
65.03928	0.6
67.05521	1.0
68.99799	0.5
69.03436	2.1
69.07073	1.4
69.46892	1.9
71.05004	1.5
79.05493	0.8
81.03421	6.1
81.07056	1.9
82.21707	0.2
83.01347	0.4
83.04973	1.2
83.08619	0.7
85.02910	1.5
87.50443	0.2
91.05487	2.0
93.07055	1.7
95.04978	1.0
95.08610	3.1
95.75523	0.2
97.02890	3.5
97.06533	0.8
97.10175	0.5
98.20809	0.2
99.04473	1.5
99.08080	0.3
105.03398	0.4
105.07034	2.7
107.04964	0.4
107.08606	2.5
108.52410	0.2
109.02885	12.7
109.06518	1.3
109.10161	1.6
111.00817	0.5
111.04455	1.9
111.08075	1.5
113.05985	0.5
117.07038	0.7
119.05011	0.3
119.08578	4.9
121.02884	2.1
121.06507	0.8
121.10129	1.5
122.22948	0.2
123.04482	0.2
123.08096	1.3
123.11744	0.5
125.09660	1.6
127.03918	47.6
128.04269	0.5
128.06285	0.2
129.05409	0.5
129.07013	0.5
131.04944	0.2
131.08569	1.4
133.02849	0.5
133.06499	0.7
133.10126	3.2
133.11075	0.3
135.04431	0.3
135.08080	1.1
135.11676	0.7
137.02348	0.7
137.05974	0.6
137.09586	0.6
139.03905	4.2
141.06992	0.3
142.07773	0.3
143.08559	1.2
145.04932	1.0
145.06505	0.5
145.10117	1.6
147.04390	0.8
147.08067	1.5
147.11665	1.1
149.02391	0.3
149.06003	0.3
149.09604	0.9
149.13263	0.6
151.04027	0.2
151.07529	0.4
151.11243	0.4
153.01830	3.5
153.05502	0.7
155.08566	0.5
156.09329	0.3
157.06532	0.4
157.10132	1.4
159.08044	1.2
159.11711	1.5
161.05968	0.3
161.09621	2.6
161.13261	0.7
163.07521	0.5
163.11169	0.6
165.01842	1.2
165.09097	1.1
169.10133	1.0
170.11023	0.2
171.07993	0.3
171.11723	1.2
173.06029	0.2
173.09653	1.2
173.13269	0.8
175.07524	0.6
175.11188	1.1
175.14848	0.5
177.09135	0.8
179.07050	0.2
179.10674	0.7
181.10136	0.3
183.02887	0.8
183.11687	0.9
184.07419	0.2
185.05989	0.5
185.09642	0.4
185.13313	1.1
187.07602	0.3
187.11232	1.2
187.14812	0.7
189.09125	1.9
189.12735	0.5
189.16287	0.3
191.10634	0.4
193.08630	0.7
193.12270	0.3
195.11694	0.2
197.09645	0.4
197.13226	0.6
199.11234	0.5
199.14813	0.3
201.09129	0.7
201.12762	0.8
201.16388	0.2
203.10674	0.8
205.08716	0.3
205.12280	0.3
207.10080	1.2
209.13324	0.4
211.11125	0.4
211.14861	0.8
212.11708	0.2
213.05453	1.2
213.12746	0.4
215.10728	0.7
215.14378	0.6
217.12210	0.3
219.10196	0.5
219.13681	0.3
225.11072	0.4
225.12982	0.4
225.16335	0.7
227.14336	0.7
229.12210	0.5
229.15839	0.6
231.06526	0.7
231.10356	0.3
233.11864	0.4
239.17973	0.5
241.04976	0.7
243.13794	0.5
243.17485	0.7
245.15378	0.4
247.13333	0.3
249.16431	0.5
253.15939	0.6
257.19006	0.8
258.05231	0.8
259.05948	0.6
267.17493	1.6
271.16840	0.9
285.18494	4.6
287.05502	100.0
288.05823	2.6
295.17032	1.2
299.05643	0.3
303.19528	1.8
311.05374	0.3
313.17975	4.8
315.12210	0.4
329.06567	1.2
331.19037	6.3
331.41360	0.3
332.19199	0.3
333.13211	0.3
339.08298	0.3
345.20349	0.3
349.20087	4.9
353.06454	0.4
373.20093	1.2
391.21143	8.7
392.21277	0.3
393.20404	0.3
395.07834	0.5
411.21463	0.6
421.19827	0.5
429.22913	0.6
432.56189	0.2
439.21442	1.1
457.22226	5.0
475.23325	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	776.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.9
55.05513	42.2
57.03439	17.9
57.07070	2.7
59.05005	2.9
61.02922	3.9
65.03943	3.7
66.78951	0.7
67.05508	100.0
68.05815	1.2
69.03428	4.8
69.07070	21.0
70.80511	2.2
71.01365	2.0
71.05000	5.6
73.02921	2.0
77.03918	0.8
79.05496	48.2
80.06299	0.8
81.03429	6.8
81.07060	63.8
83.04990	6.4
83.08622	18.6
85.02908	15.3
85.06538	3.6
85.54558	0.8
86.09718	1.5
87.04478	7.1
91.03962	1.6
91.05482	26.1
93.07051	48.0
94.07413	1.2
95.04980	7.6
95.08609	44.2
97.02901	3.6
97.06525	4.7
97.10171	23.0
99.08092	1.6
102.59678	0.7
103.03954	1.8
105.07029	18.2
107.04976	3.1
107.08601	34.1
108.08959	0.9
109.06538	2.7
109.10160	52.0
111.04461	1.4
111.08067	3.9
113.09666	0.8
117.07011	8.6
119.08585	16.3
121.06549	1.7
121.10147	23.0
123.04427	0.8
123.08095	3.0
123.11689	5.2
125.00024	1.3
125.09632	20.2
127.03964	1.1
127.07559	0.8
129.05522	1.0
129.07050	2.4
131.08560	11.8
133.10139	10.5
135.08080	1.1
135.11702	13.8
137.09651	2.8
137.13289	1.4
139.11208	2.2
143.08607	1.5
143.10629	3.5
145.10136	12.5
147.08037	1.4
147.11688	7.3
149.09662	2.5
149.13254	6.2
151.11235	1.2
153.09219	1.0
153.12804	2.3
155.08574	0.9
155.10689	2.7
157.10167	2.0
159.10349	1.2
159.11760	6.1
161.13254	3.9
163.11180	5.3
163.14899	3.1
165.12784	0.9
165.16356	0.7
166.48576	0.8
171.11736	2.2
173.09625	1.3
173.11790	13.9
173.13307	5.2
175.14862	2.9
177.12738	1.3
177.16420	1.1
181.12291	2.4
183.11653	0.8
184.07375	3.1
185.13220	1.2
187.14850	4.5
189.11311	2.1
189.16360	1.1
191.10701	2.0
193.12320	3.1
195.11826	0.8
199.13300	11.2
201.16428	1.2
205.15901	0.8
209.11745	5.0
211.13269	1.7
217.14417	2.2
219.17297	1.0
225.16501	0.8
227.12784	7.3
229.14360	38.5
230.14488	1.1
233.22914	0.9
241.14348	1.1
241.19775	0.9
243.21161	4.8
245.13960	2.8
246.86053	0.7
259.20609	3.6
261.22162	16.1
267.15894	4.4
277.21710	1.2
283.15488	2.7
285.17050	1.2
289.21680	1.6
297.22339	1.0
299.14978	2.6
299.23581	1.0
300.15262	1.8
301.16489	21.0
305.21149	0.8
315.23322	1.9
317.24905	3.1
319.17657	1.9
327.23074	1.1
333.24310	1.7
335.25809	77.9
336.26251	2.9
337.26340	0.9
363.25446	2.0
389.26648	0.8
451.32394	0.8
459.34671	1.9
469.33612	0.9
477.35706	12.1
487.34579	1.1
489.35754	16.5
525.36182	0.9
543.36847	5.1
561.37891	12.5
579.38849	6.2
776.42310	1.4
777.41589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.8
55.05511	48.6
57.03439	17.2
57.07071	2.2
59.04988	3.9
61.02921	2.8
65.03934	3.8
67.05505	100.0
68.55186	0.8
69.03416	4.9
69.07066	17.8
69.96613	2.7
69.97020	2.1
71.01365	1.3
71.05005	4.8
73.02927	1.3
79.05492	48.8
79.67122	0.8
81.03436	6.2
81.07056	66.6
83.04986	7.7
83.08618	19.3
85.02904	18.6
85.06529	3.1
87.04472	8.9
91.03954	2.2
91.05481	28.7
93.07043	43.5
95.04973	7.4
95.08605	46.2
97.02883	4.3
97.06518	4.5
97.10167	27.5
97.10783	1.8
98.20731	1.0
99.08108	1.7
103.03931	2.4
105.06320	0.5
105.07030	17.9
107.04941	2.4
107.07866	1.8
107.08590	30.7
109.06538	2.4
109.10154	58.3
111.04474	1.5
111.08070	3.8
117.07015	7.9
119.08587	17.2
121.06511	2.4
121.09305	1.9
121.10145	21.3
123.08067	4.0
123.11658	4.5
125.09634	24.4
129.07013	2.2
131.08569	12.9
133.10129	11.9
135.08098	2.0
135.11700	13.5
137.09612	3.9
139.07445	1.0
139.11145	2.5
141.07030	1.0
143.08571	3.6
143.10661	3.9
145.06534	1.0
145.10115	9.5
147.08083	1.3
147.11690	9.3
149.09615	3.0
149.13243	6.3
151.11163	1.1
153.12714	2.3
155.08594	1.1
155.10634	2.5
157.10110	1.9
159.11667	7.5
161.09662	1.2
161.13263	4.1
163.11136	7.2
163.14828	2.1
171.11670	2.0
173.09653	1.4
173.10086	1.4
173.11740	14.4
173.13278	6.8
175.14830	2.4
179.14331	1.2
181.12228	3.1
183.11678	1.0
184.07292	1.6
185.13300	2.2
187.14815	2.5
189.11209	2.6
191.10629	1.3
193.12236	4.1
199.13287	9.3
199.14879	1.5
203.12755	1.7
205.15871	1.2
209.11765	3.5
211.13260	2.2
217.14337	2.1
227.12743	10.7
229.14331	41.5
239.16272	1.0
241.14420	1.9
243.21114	4.2
245.13840	3.4
257.13797	1.9
257.18790	1.3
259.20612	3.1
261.22119	10.6
267.15863	6.4
268.16653	1.0
271.20535	1.6
277.21579	2.6
283.15509	2.6
285.16858	1.5
285.22238	1.1
289.21753	1.2
299.15067	1.6
299.23709	1.9
301.16446	21.2
301.21500	1.1
308.80142	1.0
315.23187	2.0
317.24765	1.9
319.17496	2.7
327.23077	2.2
333.24319	1.4
335.25803	64.3
336.26160	1.9
337.27057	2.0
351.25238	1.5
363.25467	2.5
389.26993	1.3
423.27539	1.1
433.30756	1.5
451.32193	2.2
459.34561	2.0
469.32837	2.5
477.35846	9.7
487.34509	1.6
489.35699	9.9
525.35992	1.3
543.36725	6.8
561.37854	11.4
579.39056	5.3
777.37335	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.6
55.05514	46.4
57.03437	17.9
57.07066	2.7
59.05003	3.3
59.07317	0.7
61.02923	3.2
65.03934	3.3
65.50550	0.7
67.05507	100.0
68.05826	0.8
69.03425	3.3
69.06721	1.6
69.07071	19.2
70.61492	2.8
71.01362	1.7
71.05000	5.2
73.02933	1.4
74.30141	0.7
77.00679	0.7
79.05493	49.4
81.03417	6.0
81.07059	66.5
83.04986	6.6
83.08620	18.2
83.09108	0.9
85.02904	16.4
85.06560	3.4
87.04473	7.0
91.03979	0.8
91.04910	1.0
91.05483	30.2
93.07043	46.2
95.04975	8.3
95.08607	49.2
97.02891	4.1
97.06523	4.6
97.09542	1.3
97.10168	26.8
97.10775	1.6
99.08115	0.9
101.06068	0.8
103.03960	1.9
105.07034	18.7
107.04945	3.1
107.08597	31.7
109.06526	3.6
109.10159	51.3
111.04434	1.0
111.08087	3.8
114.29338	0.8
117.07021	6.7
119.08581	19.4
121.06533	1.1
121.10145	23.1
123.08089	3.5
123.11703	4.7
125.08755	1.5
125.09641	20.4
127.22206	0.8
128.06160	0.9
129.05380	1.1
129.07002	2.1
130.07843	1.0
131.07698	1.3
131.08578	11.7
133.10141	10.9
135.08090	1.4
135.11702	14.0
137.09641	2.2
137.13240	1.6
139.11183	2.4
143.08568	2.4
143.10648	4.9
145.10126	10.1
147.08118	0.8
147.11688	7.6
149.09665	2.4
149.13269	6.8
151.11198	1.2
153.12752	1.4
155.08600	1.1
155.10669	2.1
157.10167	2.3
159.11719	7.7
161.13200	4.9
163.11180	5.9
163.14877	3.2
165.12784	0.9
167.10753	1.1
169.10133	1.1
171.11696	2.5
173.09581	1.1
173.10094	0.8
173.11757	15.0
173.13280	7.2
175.11185	1.3
175.14853	1.9
177.12816	1.3
177.16348	1.1
181.12292	2.0
183.11656	1.4
184.07434	1.6
185.13284	1.8
187.14841	2.5
189.11243	1.5
189.12781	0.8
189.16498	1.0
191.10645	1.7
193.12257	3.1
197.13312	1.9
199.11566	1.4
199.13292	10.7
199.14951	1.8
201.16362	1.2
209.11812	2.7
211.13248	1.1
217.14354	1.9
227.12730	7.2
229.14365	40.9
241.14294	1.1
243.21156	3.4
245.13889	2.8
247.65967	0.9
257.14056	1.3
259.15424	1.2
259.20633	2.7
261.22141	12.4
267.15881	5.9
277.21594	2.6
283.15472	1.8
285.17032	1.0
285.22327	0.9
297.21982	1.3
299.23633	1.7
301.16458	18.2
301.21603	1.0
309.22144	1.0
315.23242	1.0
317.24716	2.5
319.17581	1.5
327.23196	1.8
331.22937	1.0
333.24265	2.1
335.25821	77.0
336.26270	1.3
351.25311	1.5
363.25342	3.4
389.26669	0.9
451.31998	1.4
459.34787	1.8
469.32880	1.3
477.35818	13.4
487.34433	1.1
489.35794	14.6
503.33560	1.2
507.36591	1.1
525.35468	1.1
543.36743	6.2
561.37848	12.0
561.72028	0.9
579.38989	8.0
629.82904	0.9
764.99719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39195	1.0
55.01871	3.6
55.05517	41.6
57.03444	19.5
57.07077	1.9
59.05000	3.9
60.79597	1.0
61.02926	3.3
65.03941	3.8
66.11839	1.2
67.05511	100.0
67.10358	1.0
69.03429	5.1
69.07072	17.6
69.41777	5.8
69.42204	4.5
71.01372	2.1
71.04993	4.3
73.02921	1.5
79.05501	47.0
79.05965	2.6
80.05831	1.1
81.03419	7.2
81.07064	65.7
83.04979	6.6
83.08630	13.5
85.02908	16.4
85.06551	3.4
86.09713	1.4
87.04485	5.7
91.04016	1.5
91.05491	23.4
93.07056	44.0
94.07384	1.3
95.04958	5.9
95.08615	42.7
97.02927	5.4
97.06529	5.1
97.10176	22.6
99.08072	1.2
105.07042	17.1
107.04977	3.2
107.08607	29.3
109.06496	3.0
109.10165	55.2
111.08093	2.3
117.07014	8.8
119.08586	14.3
121.10148	21.3
123.08080	2.6
123.11711	4.6
125.09657	18.8
129.07045	3.2
131.08582	13.4
133.10164	10.3
133.75398	1.0
135.08061	1.8
135.11707	11.6
137.09602	3.5
137.13232	1.2
139.11188	3.3
143.08556	2.1
143.10695	2.4
145.10114	9.0
147.08046	1.1
147.11668	7.0
149.13246	6.3
153.12782	1.7
155.10709	1.6
157.10167	2.5
159.11696	5.6
161.13281	4.6
162.45438	1.1
163.11157	5.8
163.14883	2.5
165.12761	1.1
173.11755	14.6
173.13292	5.6
175.14816	2.0
181.12260	2.1
183.11649	2.0
184.07295	7.8
185.13275	2.5
187.14861	3.1
189.11220	2.0
191.10641	1.2
193.12270	2.6
199.13327	9.7
199.14935	1.8
209.11737	4.9
211.13271	1.3
217.14371	1.5
227.12764	8.0
229.14369	47.9
243.21165	3.5
245.13951	3.4
257.13840	1.5
259.20508	2.1
261.22141	12.7
267.15939	4.7
271.96378	1.0
277.21515	1.3
283.15475	4.4
289.21545	1.6
297.22110	1.3
301.16452	19.1
303.23651	1.4
317.24829	2.2
327.23224	1.5
333.24228	2.2
335.25833	72.5
336.26166	3.0
363.25290	2.8
419.36942	1.2
433.30545	1.3
451.31824	1.9
459.34885	1.9
463.21869	1.2
477.35773	9.8
489.35916	12.5
507.36972	1.4
525.35858	1.7
543.36566	5.5
561.37634	11.8
579.39185	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	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.7
55.05512	36.0
57.03439	18.2
57.07074	2.9
59.05002	2.6
61.02930	3.6
65.03936	3.2
66.04704	0.6
67.05506	100.0
68.05842	0.7
68.06956	0.5
69.03423	4.0
69.07069	17.9
71.01376	1.1
71.04994	4.4
71.49733	1.1
73.02911	1.8
76.15095	0.6
79.05494	41.3
81.03429	5.7
81.07059	59.5
83.01301	0.6
83.04992	5.5
83.08618	15.3
85.02904	18.0
85.06531	3.3
87.04470	6.9
91.03971	2.1
91.05479	22.5
93.07047	43.3
95.04959	5.4
95.08608	45.2
97.02905	3.4
97.06534	4.7
97.09532	1.2
97.10171	23.6
99.04493	1.1
99.08102	1.8
103.03933	1.1
104.21839	0.6
105.07033	16.3
107.04979	2.8
107.08598	30.7
109.02859	0.7
109.06525	2.8
109.10159	58.6
111.04462	1.6
111.08085	4.5
113.06014	0.6
117.07021	6.4
119.08584	17.7
121.06538	1.2
121.10142	22.8
123.08082	2.8
123.11703	6.2
125.09631	23.5
127.03880	1.5
129.05527	1.0
129.07016	2.0
131.05006	0.6
131.08572	11.2
133.10139	11.0
135.08089	1.1
135.11690	12.5
137.09628	2.4
137.13335	1.5
139.11201	1.3
141.09053	0.9
143.08612	1.8
143.10664	5.0
145.10121	10.7
147.08035	0.9
147.11685	7.7
149.09619	2.3
149.13271	7.4
151.11195	1.1
153.09114	0.6
153.12769	1.7
155.08633	0.8
155.10681	2.7
157.10146	2.1
159.11684	7.0
161.13260	4.5
163.11168	5.7
163.14851	3.9
165.12756	0.9
166.12375	0.6
169.10165	0.7
171.11731	2.0
173.11752	16.9
173.13284	5.5
175.11226	1.5
175.14827	2.0
177.12823	1.1
177.16411	1.4
181.12256	1.6
183.11681	1.0
185.13243	1.6
187.14839	2.7
189.11235	1.7
189.16446	0.9
191.10707	0.8
191.14334	1.1
193.12289	3.0
197.13304	1.6
199.13258	11.6
199.14842	1.5
201.16473	1.5
205.15916	0.6
209.11707	3.2
211.13348	1.8
217.14365	2.2
219.17192	0.7
223.16924	0.8
227.12770	7.8
229.14357	60.6
243.21085	4.3
245.11578	0.7
245.13869	2.8
257.13785	1.1
259.20642	2.1
261.22150	17.6
262.22485	1.3
267.15897	6.5
271.20514	1.3
277.21689	2.0
283.15414	1.9
285.16925	0.7
287.19681	0.6
289.21683	1.9
297.22076	0.7
299.14886	0.9
299.23630	1.4
300.15186	0.7
301.16473	22.8
301.21661	0.9
303.23514	0.8
315.23114	1.6
317.24731	3.6
319.17261	1.0
327.23245	1.8
333.24200	1.5
335.25809	90.1
336.26126	3.7
345.24216	1.2
348.08081	0.7
351.25208	1.6
363.25586	1.3
389.26981	1.1
397.31229	0.9
407.28076	0.9
451.32205	1.4
459.34561	2.4
463.21490	1.0
469.33212	0.8
477.35791	13.6
489.35797	24.1
507.36612	1.5
517.35150	1.3
525.35876	0.9
543.36688	6.7
561.29797	0.9
561.37866	11.9
579.38531	2.6
715.14636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29780	0.2
55.01867	0.6
55.05508	1.8
57.03449	1.4
61.02924	3.9
65.03945	0.4
67.05502	5.6
67.92224	0.2
69.03431	3.1
69.07070	1.8
69.40280	2.2
71.04982	0.6
73.02919	3.3
79.05491	5.3
81.03413	2.5
81.07049	5.1
83.04999	1.3
83.08630	0.9
85.02903	4.2
85.06554	0.3
86.09700	0.9
87.04465	0.3
91.03954	2.5
91.05473	5.4
93.07043	5.0
95.04978	1.7
95.08601	2.4
97.02887	3.9
97.06526	0.7
97.10146	0.3
99.04478	0.8
101.02396	1.5
103.03910	0.3
105.07023	4.0
107.04958	0.7
107.08601	2.2
109.02889	0.6
109.06522	0.4
109.10178	0.9
111.08138	0.3
117.07030	0.9
119.08576	2.4
121.06530	0.5
121.10147	0.8
123.08062	0.6
125.00027	0.7
127.03949	1.4
129.06985	1.5
131.08592	0.9
133.10110	1.4
135.11725	0.5
140.00720	0.2
143.08583	0.6
145.10152	0.9
147.11694	2.5
149.13263	0.3
159.11720	0.4
161.13300	1.0
166.73094	0.2
171.11743	1.0
184.07347	2.2
185.04280	0.5
189.12715	0.6
203.05356	0.4
207.13901	0.7
243.08397	3.3
247.13135	0.9
281.17484	0.5
303.15698	0.4
333.20294	2.9
337.27310	0.3
389.23059	0.9
439.19388	1.5
453.21310	0.9
465.20947	12.4
466.21216	0.4
469.20053	0.4
551.28241	6.2
551.36096	0.4
775.42322	100.0
776.42560	4.9
791.40479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
55.05506	2.7
57.03418	0.6
59.04993	0.9
60.15541	0.5
62.20253	0.5
63.02362	0.9
65.03931	1.5
66.93580	0.5
67.01856	0.6
67.05502	9.0
69.03081	0.6
69.03430	7.4
69.07061	2.6
70.19052	1.3
70.19453	0.8
71.04977	2.1
73.02917	0.7
78.04713	0.5
79.05498	8.1
80.96339	0.6
81.03419	10.5
81.07058	10.7
81.81488	0.5
83.01345	0.9
83.04982	3.9
83.08606	1.5
85.02883	2.4
89.03918	5.7
91.05479	13.0
92.05212	0.5
92.05788	0.5
93.07045	17.3
95.04967	3.7
95.08608	12.0
97.02890	13.4
97.06529	3.3
99.04462	2.8
103.05478	1.7
105.04546	0.5
105.07029	25.1
107.04958	4.5
107.08595	22.4
109.02123	0.6
109.02879	16.7
109.06510	5.4
109.10159	19.6
110.23766	0.4
111.03698	0.8
111.04441	12.1
111.08112	2.4
113.05984	0.9
115.05448	1.4
117.03381	16.3
117.07003	4.0
119.04912	1.6
119.08582	31.2
121.02852	1.9
121.06521	4.2
121.10143	9.1
123.04438	4.4
123.08064	4.9
123.11722	3.7
125.05985	1.9
125.09598	1.2
127.03915	38.1
128.06242	2.6
129.07011	4.6
130.07780	0.7
131.04877	0.9
131.08571	5.9
133.06496	13.8
133.10126	20.7
134.03616	1.4
135.04405	1.8
135.08052	10.7
135.11694	4.1
135.55470	0.5
137.05975	2.9
137.09610	4.2
137.13185	0.6
139.07547	1.0
141.06955	1.3
142.07762	2.6
143.08548	6.4
144.09290	0.6
145.02849	47.4
145.04903	2.4
145.06522	2.1
145.10120	8.5
146.03207	0.7
146.07257	0.7
147.04393	1.9
147.08057	13.5
147.11687	3.8
147.90318	0.4
149.05977	8.0
149.09622	6.2
149.13240	0.6
151.03990	0.5
151.07501	0.8
151.11168	2.0
153.07033	1.3
154.07855	0.5
155.08549	1.8
155.71791	0.5
156.09337	2.0
157.06461	1.4
157.10135	6.9
158.06036	0.5
159.08051	2.1
159.11684	5.6
161.06009	1.1
161.09613	14.2
161.13239	1.3
163.03870	1.5
163.07539	1.5
163.11191	8.3
165.06979	2.1
165.09123	13.8
166.07820	2.5
167.07033	2.6
167.08505	0.9
168.09236	0.6
169.10136	2.0
170.10953	0.5
171.08073	2.9
171.11687	7.1
173.09598	3.1
173.13255	2.5
175.07562	0.7
175.11134	2.9
176.11961	0.6
177.05470	100.0
178.05814	2.0
179.10666	9.4
181.05136	1.1
181.10081	5.1
181.12280	0.7
183.11664	1.4
184.08815	1.0
185.09616	10.2
185.13226	2.1
186.05496	1.8
187.11226	2.7
187.14812	1.0
189.09105	8.3
189.12776	2.2
191.07053	0.6
191.10651	3.0
193.10155	0.7
194.11055	0.6
195.11682	1.5
197.09631	1.4
197.13263	1.4
199.11186	24.7
199.14856	1.2
201.09035	0.9
201.12747	0.9
203.10696	1.9
203.14317	0.5
205.12221	0.7
207.10156	12.5
207.13495	0.6
209.11583	1.1
209.13339	1.2
211.11253	0.6
211.14977	1.0
213.09203	0.6
213.12785	1.2
213.16295	0.7
215.10733	1.4
215.14435	0.6
217.12260	10.0
219.13818	1.2
220.50488	0.5
221.04637	0.6
221.11632	0.7
223.11227	0.7
225.11203	35.4
226.11572	0.6
227.10765	0.5
227.17969	1.5
231.13882	0.5
235.13173	2.6
237.16495	1.3
241.08591	0.5
241.12291	0.9
241.19456	0.8
249.11150	0.7
251.17950	1.3
253.15881	0.7
253.19624	0.7
255.13794	0.9
255.17366	1.3
259.13297	0.6
263.09171	0.8
267.12244	3.5
267.17377	0.6
269.18964	2.3
273.18607	1.2
279.17468	1.3
281.10208	11.2
285.07593	0.9
287.16959	0.7
287.20016	2.4
295.16992	1.0
297.13382	1.3
297.15161	0.6
297.18451	8.0
309.18301	0.7
313.17950	2.1
315.19562	20.5
316.19711	0.7
331.19107	1.2
333.13425	2.9
333.20639	1.8
341.21182	1.3
351.14462	2.3
351.19061	0.6
357.20566	4.2
369.20651	3.4
372.73499	0.5
375.21658	1.3
393.20493	1.2
405.20871	1.9
411.21866	0.6
413.22952	1.0
423.21683	5.1
438.18097	1.1
441.22745	15.0
459.23856	5.2
543.39795	0.5
653.28644	2.3
656.22076	0.6
757.33936	0.8
806.03827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
55.05505	3.3
57.03437	1.3
61.15396	0.6
63.07335	0.6
65.03933	1.3
67.05504	7.6
69.03425	7.6
69.07068	2.0
71.05014	3.9
71.61744	1.0
73.02901	1.8
79.05493	8.8
81.03418	11.2
81.07053	11.0
81.12026	0.8
83.04985	11.9
83.08588	1.2
84.85631	0.5
85.02888	3.4
89.03910	4.5
91.05489	12.8
93.07047	17.5
95.04984	5.7
95.08606	11.0
96.07700	0.7
97.02895	15.2
97.06496	1.2
99.04457	4.3
103.05477	1.8
105.07034	26.4
107.04965	5.7
107.08601	20.1
109.02887	15.3
109.06534	5.1
109.10158	21.9
111.04442	14.7
111.08081	3.0
115.05429	1.0
117.03373	14.1
117.07028	3.8
119.04955	1.0
119.08583	31.7
121.02866	2.6
121.06508	6.1
121.10149	10.0
123.04430	4.2
123.08073	5.5
123.11703	3.0
125.05978	1.9
127.03920	34.7
128.06224	2.5
129.05495	1.6
129.07024	4.4
131.04938	0.9
131.08553	7.5
133.06499	3.9
133.10136	25.2
134.03604	1.0
135.04417	2.5
135.08051	12.9
135.11658	5.7
137.05975	1.5
137.09618	4.1
139.07518	0.8
141.07024	0.9
142.07755	3.2
143.08565	10.6
144.09204	0.7
145.02849	45.4
145.04955	3.2
145.06506	3.1
145.10117	8.9
147.04283	0.7
147.08055	13.7
147.11716	3.4
149.05981	7.0
149.09650	6.6
151.11168	2.0
155.08569	2.0
156.09343	1.4
157.06468	2.2
157.10143	4.9
159.08070	2.2
159.11673	4.1
161.09624	18.4
161.13272	1.0
163.03867	1.7
163.07571	1.5
163.11194	9.9
165.06969	2.2
165.09119	14.8
166.07819	4.5
167.07060	1.3
167.08437	1.3
169.10078	1.9
171.08052	2.8
171.11693	7.1
173.09633	3.4
173.13229	1.9
175.09850	0.8
175.11150	3.3
177.05476	100.0
178.05869	1.5
179.10670	10.9
181.10127	7.7
181.11728	1.0
183.11731	1.1
184.08878	1.8
185.09602	11.3
185.13245	1.2
186.05521	2.8
187.11185	2.2
187.14813	1.8
189.09122	10.9
189.12759	2.8
189.16420	0.9
191.10693	2.9
193.10135	0.9
195.11707	1.2
197.09604	1.5
197.13190	1.0
199.11195	28.9
199.14882	1.1
201.12843	0.8
203.10699	2.8
203.17992	0.8
205.12248	0.8
207.10178	15.3
209.11615	1.2
211.11208	0.9
211.14886	1.2
213.12633	0.8
217.12244	15.4
221.04314	0.7
225.11221	39.7
227.12738	0.9
227.17972	0.9
235.13297	3.2
237.12924	0.8
249.11243	1.1
255.08751	0.8
255.17618	0.8
259.13541	0.8
263.08810	0.7
267.12305	5.4
269.18988	1.7
279.12393	0.8
281.10291	11.3
283.16797	0.9
285.07462	1.4
287.20120	1.5
297.13269	1.1
297.18472	4.6
315.19562	18.6
333.13318	3.8
333.20761	1.2
341.21112	1.6
350.03452	0.7
351.14459	2.4
351.19193	1.2
357.20560	5.7
369.16330	0.7
369.20667	3.6
375.21628	1.1
377.21021	1.0
384.89355	0.7
393.20438	1.1
393.31256	0.8
395.22299	1.0
405.20676	1.4
423.21701	6.2
439.31613	0.7
441.22760	15.0
452.83054	0.8
457.32950	1.1
459.23697	3.5
585.63623	0.7
653.29370	3.0
757.33270	1.2
772.75476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
55.05510	2.5
57.03444	0.8
57.07067	0.4
59.04991	0.7
63.02376	0.6
63.68987	0.3
65.03921	1.1
65.59453	0.2
67.01867	0.2
67.05505	7.1
69.03429	7.4
69.07070	3.0
71.01350	0.6
71.04994	2.5
71.60390	0.4
73.02911	0.4
77.03944	0.6
78.04737	0.3
79.05495	7.5
79.05959	0.4
81.03417	11.0
81.06575	0.5
81.07057	9.7
83.01350	0.8
83.04977	3.2
83.08614	1.3
85.02897	1.7
85.06549	0.5
87.04475	0.5
87.47534	0.3
89.03912	4.6
91.05479	10.1
93.03415	0.3
93.07045	16.0
95.04966	4.5
95.08611	11.0
95.09227	0.3
97.02890	13.2
97.06544	3.1
99.04447	3.5
99.08090	0.4
101.03933	0.2
103.05457	1.4
105.03413	0.6
105.07032	24.2
106.04189	0.3
107.04961	5.4
107.08595	21.3
109.02882	18.3
109.06525	5.3
109.10158	18.6
110.07281	0.3
111.04444	13.0
111.08076	2.6
113.06013	0.9
115.03931	0.5
115.05441	1.2
116.06210	0.3
117.03380	16.2
117.07014	4.5
119.04975	1.2
119.08584	30.9
119.14464	0.3
121.02857	1.8
121.06506	5.3
121.10142	9.3
122.60941	0.2
123.04435	3.0
123.08064	5.2
123.11707	3.5
125.02342	0.4
125.05973	1.4
125.09649	0.9
127.03918	35.5
128.06204	2.2
129.05493	0.5
129.06998	5.0
129.07904	0.4
130.07800	0.8
131.04968	0.7
131.08566	6.3
133.06496	13.7
133.10130	20.7
134.03607	1.2
135.04443	1.9
135.08051	10.9
135.11693	4.1
137.05998	1.8
137.09618	4.3
137.13237	0.5
139.07545	1.1
141.05472	0.4
141.06984	1.4
142.07767	2.6
143.08557	7.9
144.09364	0.4
144.87503	0.2
145.02844	46.5
145.04951	2.4
145.06453	1.7
145.10121	8.8
145.11281	0.4
146.03256	0.3
146.07231	0.6
146.10474	0.3
147.04399	1.0
147.08044	13.4
147.11688	3.1
148.08777	0.5
149.05984	8.0
149.09619	6.5
149.13310	0.4
151.03925	0.3
151.07516	0.6
151.11174	2.2
152.06207	0.3
153.05742	0.3
153.07033	0.7
153.09128	0.3
154.07744	0.5
155.07335	0.2
155.08527	1.7
156.09329	2.1
157.06488	1.4
157.10127	7.1
158.06050	0.4
158.07268	0.6
158.10899	0.3
159.08102	2.3
159.11694	4.5
161.05972	0.8
161.09621	16.0
161.13246	0.9
162.03198	0.6
163.03899	0.9
163.07518	0.9
163.10069	0.2
163.11188	9.2
165.07080	1.3
165.09116	13.4
166.07790	2.3
166.09207	0.4
167.07034	1.0
167.08540	1.0
169.06496	0.7
169.10158	2.2
170.07266	0.6
170.10867	0.5
171.08037	2.3
171.11690	6.5
173.05884	0.4
173.09625	2.7
173.13254	2.4
175.07558	1.1
175.11200	2.6
175.14838	0.5
176.11897	0.3
177.05469	100.0
177.12737	0.7
178.05803	0.9
179.08571	0.5
179.10677	9.9
181.05028	0.5
181.10126	5.8
181.12146	0.8
182.10924	0.5
183.08040	0.6
183.11729	1.7
184.08844	0.9
184.12338	0.4
185.09616	9.4
185.13240	2.1
186.05484	2.6
187.07532	0.6
187.11174	3.0
187.14789	1.2
189.07361	0.5
189.09109	9.4
189.12744	2.4
189.16283	0.3
191.10684	2.7
193.08553	0.4
193.10170	0.5
193.12215	0.5
195.11685	2.0
196.12433	0.4
197.09671	1.5
197.13293	1.3
199.11186	21.9
199.14813	2.2
200.11726	0.4
201.09109	0.6
201.12784	1.3
203.10622	2.9
203.14262	0.6
205.12259	1.0
207.10162	13.5
209.09827	0.4
209.11685	1.1
209.13426	1.7
211.11171	1.1
211.14787	1.4
213.12727	1.7
213.16371	0.4
215.06981	0.4
215.10693	1.3
217.12251	11.3
217.15648	0.5
219.10159	0.3
219.13754	1.5
221.04398	0.5
221.11644	0.4
223.11322	0.5
223.14798	0.5
225.11211	34.7
225.16237	0.9
226.11566	0.6
227.10609	0.6
227.12761	0.8
227.17908	0.9
229.12259	0.5
229.15950	0.3
231.13817	0.6
235.13075	2.2
236.15489	0.4
237.12862	0.5
237.16379	1.1
239.10605	0.4
241.12199	1.2
241.19524	0.5
243.10135	0.3
249.11121	0.5
251.17967	1.0
253.15894	0.7
253.19263	0.4
255.13762	0.6
255.17473	1.5
257.15359	0.5
259.09543	0.3
259.13263	1.4
261.16501	0.4
267.12302	3.9
267.17422	0.4
269.18988	1.7
273.18503	1.4
275.12750	0.3
277.14270	0.4
279.12247	0.9
279.17416	1.6
281.07080	0.5
281.10193	10.0
281.15021	0.5
283.16931	0.5
285.07587	1.7
285.18564	0.3
287.17068	0.4
287.20068	2.4
295.16916	0.9
297.13235	0.9
297.18484	7.8
299.11349	0.7
301.18021	0.5
309.18533	0.4
313.17911	1.5
315.19550	20.6
325.17813	0.4
327.19373	0.3
331.19003	2.1
333.13321	2.2
333.20779	1.9
341.20935	0.9
351.14316	2.6
351.19476	0.9
357.20599	4.9
363.19510	0.4
369.20587	2.7
375.21741	1.9
377.21262	0.5
387.19748	0.3
393.20630	1.1
395.21985	0.7
405.20636	1.9
411.21652	0.5
413.23032	0.6
423.21643	5.0
441.22748	13.7
459.23758	5.0
477.24881	1.1
587.58081	0.3
653.29602	2.7
734.21234	0.3
757.33984	0.7
775.28430	0.3
782.55560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
55.05512	3.8
57.03422	1.8
57.94474	0.6
63.02379	0.7
65.03948	1.5
67.05505	7.1
69.03129	0.6
69.03434	7.5
69.07059	2.5
69.27541	1.1
69.27946	6.1
71.01366	0.8
71.04989	1.3
73.02915	0.8
77.03931	0.7
79.05499	8.5
81.03422	10.4
81.07057	7.3
83.01327	1.3
83.04987	3.5
83.05381	0.6
83.08614	0.6
85.02910	3.9
87.04427	0.6
89.03911	4.2
91.04958	0.9
91.05486	10.9
93.07048	15.4
95.04981	3.6
95.08611	10.4
97.02902	11.5
97.06522	2.7
99.04470	2.8
103.05466	2.1
105.07031	25.1
107.04957	5.2
107.07864	1.2
107.08597	20.9
109.02888	19.3
109.06531	5.3
109.10162	17.9
110.58965	0.6
111.04445	10.9
111.08085	1.9
113.05965	0.8
115.03971	0.6
115.05448	1.6
116.37344	0.6
117.02606	1.0
117.03390	13.1
117.07027	5.1
119.04944	2.5
119.08590	27.6
121.02866	2.1
121.06513	4.1
121.10140	8.0
121.31332	0.6
122.03194	0.6
123.04424	3.3
123.08080	4.3
123.11726	3.4
124.12177	0.5
125.02341	0.6
125.06010	2.8
125.09631	2.7
127.03920	35.3
128.06218	2.3
129.07039	3.7
130.07777	1.2
131.04944	4.1
131.08560	5.2
133.06499	13.3
133.10136	19.0
134.03633	1.5
135.04408	1.3
135.08055	11.4
135.11665	4.1
135.12531	0.7
137.05977	4.3
137.09634	3.9
139.07616	0.8
141.06989	1.2
142.07788	1.6
143.08560	8.0
145.02853	49.4
145.04938	2.4
145.06487	4.6
145.10146	6.3
146.03192	2.9
146.07292	0.8
147.04420	2.6
147.08055	12.6
147.11674	2.8
149.06000	7.3
149.09608	5.5
151.03816	0.9
151.07556	0.7
151.11136	1.9
153.07094	0.7
155.06024	0.8
155.08574	2.1
156.09309	1.6
157.06474	1.6
157.10152	5.5
159.08058	1.3
159.11684	5.0
161.05974	1.3
161.09627	15.3
161.13272	1.6
163.03923	1.3
163.07530	3.0
163.11182	8.4
165.06955	1.9
165.09132	11.5
166.07796	2.0
167.07063	16.0
167.08475	1.0
169.10168	2.7
170.10902	0.7
171.08029	3.4
171.11684	5.2
173.05972	3.4
173.09624	2.6
173.13269	2.4
175.07529	1.2
175.11192	2.2
175.14850	0.9
177.05476	100.0
178.05830	5.2
179.05984	1.3
179.10681	8.9
181.04970	9.8
181.10109	5.3
182.10986	0.6
183.11703	1.5
185.09622	8.2
185.13232	2.3
186.05554	1.4
187.11201	2.3
187.14838	1.0
189.09137	9.3
189.12730	1.7
189.16435	0.8
191.07076	0.6
191.10634	2.5
193.05205	0.7
195.11693	1.2
197.09665	1.2
197.13321	1.3
199.11188	20.6
199.14877	2.1
203.10672	3.6
205.08528	1.7
205.10391	0.6
205.12244	1.6
207.10161	12.4
207.12013	1.1
208.10497	0.8
209.11610	1.3
209.13358	1.1
211.14911	0.8
213.12766	1.6
215.10741	0.8
217.12260	10.5
219.13768	0.8
223.11162	0.8
225.11217	37.6
226.11580	1.4
227.18100	0.8
229.12350	0.7
233.08148	2.2
235.09579	1.8
235.13274	1.7
237.16444	1.3
239.06769	0.7
251.17874	1.2
255.17500	1.3
259.13351	0.9
263.09100	1.1
263.14316	1.0
267.12357	4.0
268.11365	0.6
269.18939	2.0
269.50818	0.6
279.17480	1.9
281.10245	15.1
282.10382	3.2
283.10809	1.7
285.07632	1.1
285.18539	0.7
287.05557	1.2
287.16788	0.8
287.20032	2.7
295.16864	0.7
297.13412	0.7
297.18463	6.5
301.17746	0.6
313.18027	1.6
315.19571	18.0
323.19897	0.7
331.18964	1.7
333.13461	2.9
333.20685	1.1
341.21292	0.7
351.14316	2.4
351.18951	0.7
357.13190	1.0
357.20660	4.2
369.20624	3.5
375.21466	2.0
377.21478	0.7
385.12814	3.6
387.14435	1.5
393.20663	1.2
395.22177	1.2
403.13840	1.0
405.20920	2.0
413.22995	0.8
415.14371	0.9
417.15582	3.2
423.21704	6.4
441.22754	13.9
458.22556	0.6
459.23938	4.6
477.24500	0.9
538.58075	0.6
613.22314	1.4
653.29639	1.7
757.33636	1.2
775.28101	5.9
776.27576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.6
55.05255	3.2
55.05507	27.0
57.03426	6.7
57.07072	4.6
59.97144	2.3
65.03934	5.1
67.05173	4.7
67.05505	69.7
69.03425	26.1
69.07066	20.5
70.21806	14.1
71.04987	8.1
71.08616	3.1
79.01999	3.0
79.05492	59.0
81.03420	38.2
81.07054	80.6
83.04969	10.7
83.08621	17.6
85.02906	13.3
85.06593	3.1
86.09702	8.1
91.04962	4.8
91.05482	56.7
93.07047	62.1
95.04967	14.1
95.08612	69.4
97.02898	15.3
97.06528	5.2
97.10165	6.8
97.89012	2.8
99.04420	4.7
103.03913	3.6
105.07030	60.1
107.04962	5.2
107.08585	48.5
109.02882	6.5
109.06513	9.7
109.10163	31.1
111.04440	25.1
111.08130	4.0
111.11797	3.2
117.07018	28.1
119.08580	100.0
121.06474	7.8
121.10146	40.9
123.04420	6.3
123.08080	6.6
123.11678	11.1
125.05917	3.2
125.09602	5.4
127.03922	7.2
128.06219	6.1
129.05508	3.8
129.07019	17.6
130.07722	3.9
131.08569	37.4
133.06488	6.5
133.10129	52.3
135.08049	10.0
135.11668	23.5
137.09691	3.7
137.13242	4.7
139.07465	4.0
141.06989	9.0
142.07768	4.6
143.08553	21.6
145.06477	6.4
145.10114	42.8
147.08026	6.2
147.11691	23.1
149.09647	6.4
149.13229	8.3
151.07506	5.2
151.11185	4.2
155.08546	14.4
156.09369	5.0
157.10141	22.7
159.08131	6.7
159.11688	39.5
161.09627	6.0
161.13261	21.4
163.11171	2.8
163.14902	5.3
165.09093	5.0
167.08519	5.6
168.09247	4.2
169.10124	17.7
171.11638	16.4
173.09624	6.5
173.13293	22.1
175.11142	5.4
175.14810	6.1
177.12773	3.1
181.10129	4.5
183.07985	3.3
183.11652	16.6
184.07321	11.5
185.09596	7.8
185.13245	12.4
187.11137	6.6
187.14781	10.4
189.12657	4.9
189.16350	6.7
193.12314	3.5
195.11736	7.1
197.13251	12.2
199.11107	8.4
199.14822	12.1
201.12790	5.6
205.12375	4.8
209.13251	5.4
211.11154	6.2
211.14850	5.9
213.12837	4.9
215.14320	3.3
217.12257	6.0
219.17313	3.7
221.13248	4.9
223.14868	3.5
229.12279	5.2
233.68156	3.1
239.14429	5.3
241.19528	6.0
243.13785	5.2
243.21059	5.4
253.19585	8.9
259.20557	10.2
261.22104	11.8
271.20633	5.2
273.22018	4.6
277.21564	14.8
281.19022	7.3
285.22003	3.4
289.21570	6.7
291.23209	7.4
299.16699	3.8
299.20078	68.1
300.20410	4.5
301.21729	7.9
303.23178	18.0
315.23187	8.2
317.17429	3.9
317.21106	43.0
319.22659	6.0
327.23248	10.5
331.22629	4.5
341.24646	11.3
345.24191	7.3
351.23160	15.0
358.23651	5.5
369.24268	52.9
375.09406	2.7
387.25266	68.6
388.25378	3.7
405.26428	60.9
406.26901	4.2
423.27420	16.9
536.23682	3.1
591.42462	3.3
634.52008	3.3
715.41132	5.0
762.69067	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	774.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
55.05265	1.0
55.05515	18.6
57.03438	18.4
57.07062	1.7
59.04996	0.7
60.46089	0.8
61.02901	0.8
64.17762	0.6
65.03931	2.5
67.05507	56.5
69.03423	2.9
69.06718	1.2
69.07066	14.4
69.85604	2.3
69.86019	2.7
71.01346	0.8
71.04995	3.6
79.05497	39.0
81.03420	83.0
81.07060	62.4
83.04991	7.0
83.08140	1.3
83.08621	22.0
85.02899	1.7
85.06525	2.4
88.50657	0.7
91.05485	33.8
93.07048	47.9
94.07324	0.9
95.04977	27.5
95.08607	40.6
97.02867	2.2
97.06548	5.2
97.10183	5.9
98.21544	0.8
99.08088	1.8
105.07030	26.7
107.04964	7.1
107.08601	24.2
109.06516	5.7
109.10156	20.0
111.04419	1.6
111.08076	6.6
115.05393	1.3
117.07000	6.1
119.08582	26.2
121.06522	4.5
121.10150	20.8
123.04421	1.4
123.08083	3.9
123.11726	7.4
125.09602	3.9
129.07005	8.7
130.95720	0.7
131.08578	18.1
133.06435	4.0
133.10132	13.9
135.08064	2.0
135.11696	14.2
137.09615	2.3
137.13278	1.4
139.18170	0.8
142.07748	2.4
143.08543	2.5
145.10133	9.2
147.04408	1.1
147.08047	3.9
147.11682	14.9
149.09595	5.8
149.13266	8.2
155.08559	1.0
155.30251	0.7
157.10147	11.0
159.11720	7.9
161.13232	4.2
163.11215	2.4
163.14824	3.5
165.12788	2.7
169.10178	1.0
171.11681	3.0
173.09653	1.2
173.13228	5.8
175.11206	9.2
175.14812	2.3
177.12729	1.0
177.16414	1.3
181.10191	1.2
183.11729	1.1
183.57971	0.8
185.13216	1.8
187.11171	0.8
187.14825	3.8
189.11247	3.2
193.12251	21.5
197.13365	1.2
199.14882	1.5
201.16283	1.8
205.12244	1.1
211.13289	1.6
223.13341	1.1
227.12776	6.4
233.15437	0.8
233.22639	1.1
235.13190	1.1
243.21072	5.3
247.17009	1.1
249.14934	2.2
261.22174	20.4
267.15921	100.0
268.16254	1.9
277.21753	0.9
279.23212	2.2
285.22211	1.2
296.22635	0.8
301.14410	1.0
301.25330	8.0
309.16949	2.2
317.24857	3.5
335.25806	88.9
336.26202	2.1
359.26016	1.4
384.24747	0.7
384.91339	0.8
403.24817	1.6
407.23853	1.0
417.26392	1.5
417.31717	0.9
421.25858	1.8
433.31006	0.8
435.27158	2.0
435.32578	5.2
449.29260	1.1
453.33710	9.1
463.31073	1.0
471.34982	4.3
475.30356	1.4
509.36172	2.9
527.37372	69.8
528.37518	3.0
545.38385	57.2
546.38525	2.9
559.39490	2.6
569.38483	4.3
577.41156	1.4
634.28400	1.0
635.39172	2.1
671.41742	1.3
678.17877	0.9
734.54901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.4
55.05518	29.4
57.03437	20.7
57.07106	1.9
59.05003	2.9
61.02926	4.5
65.03960	3.1
67.05508	63.3
69.03431	11.2
69.07070	31.7
70.14858	7.4
71.04996	8.8
79.05498	56.4
81.03422	70.6
81.07059	77.1
83.04982	25.2
83.08624	34.6
85.02907	32.4
85.06553	4.5
86.09732	1.6
91.03948	3.6
91.05489	61.4
93.07052	52.6
95.04972	36.7
95.08611	32.7
97.02895	10.1
97.06535	16.6
97.10161	14.8
99.08122	5.0
105.07037	50.1
107.04958	14.1
107.08592	31.6
109.02901	2.4
109.06509	10.9
109.10188	15.5
111.04464	4.2
111.08093	16.3
113.06033	4.7
117.07017	15.6
119.08595	40.6
121.06525	4.5
121.10141	24.7
123.08069	6.9
123.11729	4.7
125.09631	11.9
127.03938	5.3
129.05540	3.3
129.07002	21.4
131.08582	31.1
133.06523	3.6
133.10135	32.8
135.08073	6.1
135.11668	11.8
137.09621	4.4
142.07773	3.0
143.08560	4.8
145.10126	17.1
147.08098	4.2
147.11694	28.3
149.09642	18.5
149.13234	8.5
151.11244	2.6
155.08537	3.6
157.10114	20.4
159.11699	12.2
161.13268	3.7
163.11243	9.4
165.12723	4.1
169.10182	3.2
171.11720	6.4
173.04457	2.7
173.13306	6.2
175.11223	19.8
177.12756	5.3
179.14330	5.2
183.11690	4.1
184.07419	3.4
185.04610	1.8
185.13213	2.0
189.11232	5.9
191.10684	2.1
193.12253	56.3
194.12479	1.9
195.13805	4.2
197.13258	2.1
201.79077	1.8
211.13301	94.2
212.13614	4.2
227.12766	20.5
229.14343	2.7
229.19627	3.5
239.17877	5.5
249.14944	2.8
253.18152	2.8
255.15910	10.6
257.18988	10.7
267.15921	45.4
267.18579	3.3
269.17444	23.9
275.20084	40.5
285.16986	100.0
286.17297	3.4
293.21118	3.7
309.20599	2.5
331.22595	5.0
349.23740	51.0
350.24432	3.1
367.24698	2.8
437.25650	3.0
439.27118	3.6
443.28073	2.4
447.27823	10.5
455.26306	3.8
461.29065	27.3
462.28870	2.5
463.30472	3.1
465.28574	15.7
479.30054	76.1
480.30316	5.7
501.32196	2.7
519.33038	7.0
531.36359	2.0
541.35254	24.3
559.36310	58.5
560.36255	3.5
577.37201	9.4
598.91095	1.9
623.34027	3.7
721.42084	2.2
781.58490	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
56.08596	0.3
57.03415	0.3
61.02925	0.5
63.02388	0.7
65.03944	6.5
67.05514	2.5
68.99795	0.6
69.03425	1.7
69.20667	0.3
69.96755	1.6
70.06580	0.6
73.02905	0.3
79.01839	0.3
79.05486	1.1
81.03410	0.9
81.07058	0.4
83.04990	0.5
85.02899	2.3
89.03917	5.3
91.05490	1.0
92.02602	0.5
93.03406	8.9
93.07043	0.5
95.04938	0.7
97.02889	79.2
98.03231	0.9
98.20808	0.4
103.05421	0.6
105.07009	0.4
106.04132	0.4
107.04962	1.4
107.08585	0.4
109.02848	0.9
110.03654	0.7
111.00800	0.9
111.04457	1.7
115.05461	1.0
117.03380	10.5
117.07030	0.4
119.04929	0.6
119.08500	0.4
121.02878	4.2
121.06472	0.4
123.04420	1.2
124.05200	0.6
125.02332	1.1
125.05939	0.8
126.03190	0.3
126.75002	0.3
127.03889	0.8
128.06224	2.1
128.78073	0.3
129.07005	10.1
129.55064	0.3
131.04951	0.9
131.08557	0.3
132.16058	0.3
134.03619	0.8
135.03394	0.6
135.04413	11.4
137.02341	4.2
137.05968	0.9
139.03886	2.0
139.05420	1.4
141.06989	3.0
145.02841	28.0
145.06482	0.7
146.03140	0.5
147.04420	2.0
147.08054	0.4
149.02338	7.2
149.05966	2.7
151.03903	2.3
153.01817	7.9
153.05310	0.3
155.06058	0.3
156.05634	0.4
157.06494	10.0
160.05258	0.5
161.05946	1.1
163.03900	56.8
164.04253	0.8
165.01877	1.8
167.03413	32.6
167.04875	2.5
167.07010	1.7
168.05646	0.4
169.06441	2.4
173.05994	2.7
174.06737	1.2
175.03896	0.7
175.06020	0.6
175.07539	12.0
177.05467	37.3
178.05777	0.7
181.04924	0.6
183.02937	0.7
183.04414	0.7
184.05188	0.5
185.05975	10.9
185.07666	0.5
186.05571	0.9
187.07556	1.3
188.08308	1.0
189.05511	0.8
189.09085	3.9
191.07016	0.6
193.05150	0.5
193.08586	0.7
195.04416	0.8
195.06502	0.3
199.07544	3.0
200.04697	0.6
201.05469	3.3
203.03433	0.4
203.07014	5.5
204.07423	0.3
207.06552	1.2
209.08044	0.5
213.05466	6.3
215.06952	0.5
217.08598	4.0
219.03003	0.4
227.07043	2.7
228.04149	0.9
229.04977	5.2
231.06512	10.8
241.04909	0.5
245.04410	0.8
245.08093	6.1
246.05281	1.8
247.05797	0.4
255.06384	0.4
257.04422	3.6
259.06067	2.5
273.03983	1.3
273.07462	1.6
274.04694	4.1
277.07059	24.0
284.02924	0.5
285.03894	4.8
291.08633	14.6
292.08777	0.5
295.08157	1.7
302.04199	12.2
303.04980	60.9
304.05209	1.3
309.09677	1.3
317.06552	100.0
318.06967	2.4
329.06845	0.4
345.06021	0.6
359.07584	1.5
413.08282	0.5
449.10468	0.6
466.32901	0.3
575.03503	0.3
686.69818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
55.05267	1.0
55.05516	16.0
57.03181	1.1
57.03440	11.8
57.07061	3.2
59.05003	2.4
61.02914	3.5
65.03932	2.8
67.05508	55.7
69.03418	2.9
69.06721	1.0
69.07076	13.8
71.01357	2.8
71.04999	5.9
72.63126	0.8
73.02901	0.8
77.03906	0.8
79.05496	45.6
80.05803	0.9
81.03423	23.1
81.07059	51.7
83.01321	2.3
83.04980	11.8
83.08614	9.0
83.79037	0.8
85.02910	8.4
85.06557	4.7
87.04486	1.1
91.05486	25.9
93.07049	51.8
95.04978	11.2
95.08611	40.4
95.09245	1.3
97.02897	10.1
97.06525	6.8
97.10163	4.5
99.04445	2.2
99.08091	1.2
105.07037	17.8
107.04951	12.6
107.08600	25.9
109.02854	0.8
109.06538	9.5
109.10161	16.4
111.04447	22.5
111.08080	3.5
113.05990	1.6
117.07028	12.0
119.08590	17.8
121.06513	6.6
121.10147	25.3
123.08077	7.1
123.11712	4.5
125.06004	6.1
125.09635	2.8
127.03936	1.2
129.07047	3.6
130.07770	1.2
131.07603	0.9
131.08580	15.1
133.10121	9.3
135.08064	3.3
135.11705	24.3
137.09599	3.0
137.13234	1.5
139.07498	1.0
143.08533	1.9
145.06488	2.7
145.10127	23.5
147.08060	4.3
147.11684	3.2
149.09633	2.1
149.13275	4.5
151.11107	1.3
153.12730	8.9
155.08548	3.1
157.10146	1.3
159.11757	4.4
160.48949	0.9
161.09598	1.0
161.13295	2.9
163.11198	30.6
163.14845	1.9
167.10661	0.8
169.10204	1.3
173.09654	5.9
173.13191	3.8
175.14828	1.6
177.12767	1.5
177.16492	1.2
179.60345	0.9
181.12160	5.3
184.07387	2.3
185.13333	1.0
187.14880	2.5
189.11205	0.9
191.10687	8.3
193.12231	1.0
195.13860	1.0
201.16216	0.9
209.11757	10.3
223.13274	19.1
227.12753	10.7
241.14365	25.7
243.21091	2.8
259.20493	1.4
261.18402	0.9
261.19531	0.9
261.22165	8.0
265.14362	5.3
267.15887	2.2
283.15402	20.0
297.17026	1.8
299.23563	1.2
315.18039	45.1
317.24814	2.2
333.24173	1.5
335.25812	95.0
336.26102	2.6
421.37015	1.0
433.30927	2.4
451.32043	3.3
469.33237	1.2
525.35760	12.8
543.36829	72.4
544.37213	3.1
546.38617	1.2
557.38470	1.4
561.37579	1.9
575.39453	100.0
576.39453	3.6
610.45282	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.8
55.05515	26.0
57.03442	18.2
57.07068	3.8
59.04977	2.5
60.08158	2.9
61.02917	7.4
65.03910	3.6
67.05504	72.9
69.03423	3.1
69.07067	22.1
71.01362	5.4
71.04987	7.8
71.60629	2.2
73.02897	3.5
79.05496	55.0
81.02972	3.4
81.03419	37.9
81.06580	4.5
81.07062	78.2
81.68171	1.7
83.01344	4.1
83.04980	14.7
83.08635	12.0
85.02898	9.8
85.06540	5.7
86.09685	11.3
91.03953	2.8
91.05484	37.9
93.07044	69.5
95.04978	19.3
95.08610	50.2
97.02905	18.0
97.06541	12.4
97.10172	6.0
99.04449	4.9
99.29656	1.9
105.07027	27.1
107.04961	23.0
107.08604	46.0
109.02872	2.6
109.06503	13.9
109.10159	19.9
111.04452	36.7
111.08099	4.0
113.06033	3.2
117.07004	15.9
118.78909	1.9
119.08585	28.8
121.06529	15.0
121.10152	27.2
123.08080	9.9
123.11711	6.9
124.99995	5.7
125.05964	12.4
125.09650	5.0
129.07018	6.4
130.07793	2.0
131.08551	20.9
133.10139	12.9
135.08073	4.0
135.11714	31.5
137.09645	3.0
138.26917	2.0
139.07582	2.0
143.08522	2.4
145.06479	3.9
145.10144	36.5
147.08095	6.2
147.11719	6.9
149.09601	3.9
149.13295	4.8
153.12766	11.1
155.08577	4.8
157.05562	2.1
157.10170	2.9
159.11710	8.1
159.18851	1.9
161.09587	2.7
161.13280	6.2
163.11183	43.1
165.09084	2.2
173.04514	2.1
173.09647	12.0
173.13306	4.6
175.14737	2.8
175.97070	1.7
177.12807	3.1
181.12225	9.1
183.10210	1.9
184.07350	42.4
184.08963	2.7
185.13197	2.3
187.14832	2.7
191.10710	11.9
195.13828	2.9
209.11710	14.4
209.13377	2.0
223.13272	31.0
227.12836	14.1
241.14371	55.2
241.19745	2.2
243.21014	4.0
248.85843	1.8
259.20587	2.1
261.22171	8.2
265.14276	7.2
267.15961	5.4
283.15427	28.8
299.23679	2.4
315.18048	68.8
317.24796	2.6
335.25800	100.0
336.26395	3.3
433.31363	2.4
451.32059	3.9
469.33206	4.4
525.35687	14.4
543.36853	93.9
544.36700	4.5
546.38196	3.1
561.37512	3.5
575.39429	77.5
610.45245	7.3
661.23438	2.0
694.80597	2.4
772.50781	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	772.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.9
55.05517	28.8
57.03441	15.8
57.36044	2.9
64.37314	2.5
67.05511	58.4
69.03419	9.3
69.07069	24.2
71.04984	9.2
71.59840	5.2
79.05498	56.7
81.03432	18.9
81.07063	56.2
83.01354	5.8
83.04987	15.4
83.08620	17.3
85.02899	12.8
85.06513	3.1
86.09679	3.6
87.58901	2.6
89.08827	3.0
91.05490	40.8
93.07047	63.3
95.04983	17.2
95.08616	37.1
97.02883	8.5
97.06536	17.5
97.10169	11.0
105.07040	36.4
107.04986	14.9
107.08604	47.0
109.06511	10.9
109.10165	13.1
111.08080	5.1
115.87369	2.6
117.07036	20.7
119.04908	2.7
119.08585	27.3
119.56858	3.2
121.06480	7.4
121.10118	21.5
123.08054	11.3
123.11745	4.2
125.05994	3.1
125.09649	12.4
127.03976	2.8
129.05479	3.6
129.06996	8.2
130.07838	3.0
131.04904	3.2
131.08572	19.7
133.10138	22.1
135.08047	8.2
135.11699	40.3
137.09633	5.2
143.08543	8.6
145.10127	43.7
147.11690	12.4
149.09604	11.2
149.13235	3.2
151.11195	3.1
153.12793	4.3
155.08611	4.1
157.10129	3.3
159.11650	13.8
161.09657	3.0
161.13249	5.3
163.11169	44.1
173.09592	3.4
173.13199	6.1
176.10619	3.0
181.12260	10.1
184.45596	3.1
185.13173	4.3
189.11183	5.3
191.10684	3.3
209.11702	5.2
217.15848	3.5
227.12791	60.9
229.19513	3.1
239.17986	3.3
255.16006	6.5
257.19009	11.6
259.20767	2.9
267.16092	6.1
269.17474	12.5
275.20090	38.5
283.15433	100.0
291.19611	6.0
293.21161	3.8
331.22607	3.9
349.23734	38.4
367.24908	3.3
437.25275	4.5
453.24805	6.5
463.27094	15.0
477.28577	49.0
517.31079	4.1
539.33643	4.5
557.34808	69.0
575.35864	14.3
716.29169	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	772.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	16.8
55.05513	37.7
57.03441	15.1
57.07071	3.5
58.47710	1.3
59.04998	3.8
59.19903	1.1
61.02925	4.8
65.03927	1.7
67.05507	62.9
67.25194	1.1
69.03435	13.7
69.06720	2.7
69.07071	35.1
71.01350	2.7
71.04998	9.1
71.33739	2.3
73.02916	1.3
76.17356	1.2
79.05495	56.7
81.03008	1.3
81.03419	39.6
81.07059	70.0
81.63194	1.2
83.01357	7.3
83.04987	22.5
83.08620	27.4
84.79684	1.4
85.02907	17.8
85.06551	5.0
86.09728	1.8
91.03946	2.6
91.05485	50.9
93.07043	66.7
95.01319	1.7
95.04969	25.2
95.08607	31.6
97.02892	15.0
97.06531	19.5
97.10178	16.5
97.59442	1.2
99.04465	4.5
99.08102	3.8
105.07035	40.2
107.04956	18.7
107.08593	43.5
109.02872	3.5
109.06522	15.1
109.10158	14.5
111.04459	4.6
111.08067	10.3
113.09639	1.7
115.05456	2.7
117.07035	20.3
119.08586	36.3
121.06500	7.8
121.10149	27.3
123.04422	2.0
123.08070	15.4
123.11706	4.9
125.05983	2.3
125.09639	17.2
127.03931	3.6
129.05524	1.8
129.07004	12.9
130.07788	4.3
131.08578	21.4
133.06522	3.6
133.10141	22.3
135.08070	7.8
135.11687	22.7
137.09621	5.3
141.06993	1.9
142.07851	1.4
143.08514	6.8
145.06471	2.2
145.10127	32.3
147.08087	4.9
147.11694	16.2
149.09619	14.7
149.13242	6.8
151.11183	3.0
153.09167	1.5
153.12776	3.0
155.08588	2.9
157.10114	10.7
159.11685	13.5
161.09579	2.3
161.13275	4.5
163.11176	37.3
165.09128	2.3
165.12740	3.4
165.51537	1.4
169.10112	2.5
171.11688	2.5
173.09602	4.4
173.13287	3.6
175.11194	6.4
177.12798	2.9
179.10622	2.1
181.12268	5.6
183.11725	3.2
184.07336	12.1
185.13274	2.3
189.11253	7.9
191.10718	3.6
193.12268	15.7
195.13876	3.7
203.14191	1.4
209.11757	6.2
211.13300	23.9
211.15237	1.6
215.14360	1.6
219.13806	1.6
222.61320	1.4
223.13272	6.2
227.12773	33.9
229.14404	2.0
239.18019	2.3
247.20889	1.5
255.15820	8.1
257.18976	10.3
267.15909	17.3
269.17477	14.4
273.18472	8.1
275.20050	33.3
283.15408	100.0
285.16953	23.2
291.19547	40.6
291.22784	2.2
293.21146	4.0
309.20517	2.6
331.22675	3.2
347.22223	1.7
349.23730	33.2
365.23212	22.8
379.21088	1.8
383.22015	1.4
437.25174	2.8
439.83676	1.7
445.25934	1.9
453.24979	6.7
455.25967	2.0
459.27328	2.4
461.28616	3.8
463.27036	15.2
477.28470	73.7
517.31311	4.8
539.33331	6.6
557.34790	67.4
557.41931	1.0
575.35767	37.9
621.32495	3.9
657.26434	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.6
55.05511	9.2
57.03432	3.9
57.07065	1.8
59.04987	0.5
61.02925	12.9
65.03920	0.9
67.05501	16.0
69.03433	5.6
69.07064	8.0
71.01354	1.0
71.04990	1.8
71.58227	0.8
73.02919	6.4
79.05489	12.5
81.03416	3.4
81.07061	16.9
83.04960	1.9
83.08624	5.0
85.02913	11.3
85.06546	2.1
85.29478	0.5
86.09692	0.9
87.04432	0.7
91.03949	5.9
91.05476	10.3
92.09431	0.6
93.07043	12.4
95.04966	2.7
95.08608	14.0
97.02888	9.1
97.06542	1.7
97.10163	2.2
99.04453	0.7
99.08088	1.4
101.02357	1.2
101.85001	0.5
105.07032	10.9
107.08595	9.0
109.02877	1.2
109.06509	0.8
109.10152	5.5
111.08096	1.0
115.05447	1.6
117.07002	5.5
119.08582	8.5
121.10159	6.6
123.08081	1.0
123.11701	1.9
125.09605	0.6
127.03906	1.9
128.06241	1.7
129.05466	0.7
129.07001	6.6
131.08563	9.2
133.06612	0.5
133.10135	6.5
135.11687	4.0
137.09595	0.6
137.13208	0.5
137.78230	0.6
141.06990	3.6
142.07785	1.7
143.08557	10.6
145.10132	9.4
147.11708	4.3
149.09645	0.6
149.13254	1.6
151.11142	0.6
153.06940	1.2
154.07748	0.9
155.08546	7.8
156.09285	1.1
157.10123	9.5
159.11671	5.5
161.13284	3.0
163.14780	0.9
166.07825	0.8
167.08546	4.0
168.09361	1.2
169.10136	9.6
170.10838	1.1
171.11662	8.6
173.09636	0.7
173.13275	4.6
175.14861	1.5
177.16389	0.7
179.08578	1.7
181.10120	5.9
183.11679	11.5
184.07349	1.3
185.13248	6.7
187.14812	2.7
189.16446	1.5
190.69324	0.5
193.10161	1.7
194.10857	0.6
195.11699	7.0
196.12439	1.3
197.13281	7.0
199.13330	0.8
199.14862	4.7
201.16428	1.6
207.11691	2.1
209.13280	4.5
210.14055	0.7
211.14877	5.5
213.16385	2.4
214.29216	0.6
215.17957	0.8
219.11617	1.0
221.13252	2.2
223.14867	3.3
225.16385	2.5
227.18088	1.0
233.13274	1.1
235.14832	1.7
236.15735	0.8
237.16382	2.5
239.17926	1.6
241.19695	0.6
247.14873	0.8
249.16417	1.8
251.17984	1.4
253.19537	1.0
259.20770	1.0
265.19611	1.2
279.21060	0.9
281.18732	0.7
297.22238	0.7
309.22034	0.9
323.23584	1.1
325.25012	0.7
327.23068	0.7
337.25259	1.5
349.25238	0.6
351.26666	1.4
353.24228	0.6
365.28241	1.0
367.26282	1.0
391.29892	0.7
423.32458	0.8
425.30466	0.8
433.30740	0.6
447.32382	1.4
461.34219	1.0
475.35117	0.7
487.34433	0.7
501.35345	1.5
515.37415	0.8
517.40417	4.6
521.35919	1.0
527.36548	1.1
535.41675	3.6
539.37225	1.6
541.38562	1.4
545.38257	1.7
553.39001	0.6
567.40277	1.1
591.44147	6.5
607.42926	2.3
609.45129	100.0
610.45276	4.0
611.46552	0.8
621.44684	1.6
633.45593	0.6
651.46063	1.3
675.44958	0.6
699.45349	0.9
717.47131	1.0
735.47711	1.0
753.49384	1.5
771.50647	22.2
772.50488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.8
55.05511	11.2
57.03436	5.2
57.07069	2.4
61.02930	12.4
65.03939	1.8
67.05170	1.8
67.05508	26.4
69.03432	7.7
69.07066	11.9
71.04991	2.7
71.60796	1.4
73.02919	7.1
76.20189	1.0
79.05495	17.8
81.03419	9.3
81.06584	1.6
81.07057	27.4
83.04982	2.7
83.08626	8.4
85.02911	10.1
85.06518	2.2
86.09715	2.2
88.39151	1.1
91.03972	6.2
91.05477	16.3
93.07043	20.4
95.04948	5.9
95.08610	20.3
97.02891	11.1
97.06509	1.9
97.10169	4.5
101.02390	1.9
102.97533	1.0
105.07023	15.2
107.04968	2.9
107.08608	12.7
109.02896	2.9
109.06513	1.9
109.10150	7.8
111.04433	1.8
111.08108	1.9
115.05470	1.9
117.07027	10.3
119.08594	12.6
120.08952	1.0
121.06497	1.4
121.09364	1.4
121.10126	8.2
123.08049	1.6
123.11722	2.6
125.09631	2.4
125.22574	1.2
127.03912	2.5
128.06233	1.9
129.07027	7.6
131.08585	11.8
133.10153	10.9
135.08044	2.3
135.11702	4.1
137.09633	1.8
141.07005	4.3
142.07771	1.6
143.08554	10.3
145.10127	16.8
147.11703	6.2
149.09578	1.7
149.13243	2.5
153.06906	1.3
155.08566	8.3
156.09355	2.0
157.10168	13.5
157.69231	1.1
159.11711	8.9
161.13283	4.0
165.06996	2.3
167.08548	4.2
168.09314	1.6
169.10106	9.1
170.10909	1.3
171.11667	8.1
173.04428	1.5
173.13263	6.4
175.14844	2.7
177.70329	1.1
179.08600	2.2
181.10086	6.3
183.10338	1.4
183.11723	8.8
184.07344	4.8
185.13252	6.6
187.14838	3.3
189.16414	1.3
193.04991	2.1
193.10199	2.9
193.12154	1.8
195.11729	8.0
196.12517	1.2
197.13261	7.4
199.13228	1.2
199.14821	3.8
201.16408	1.4
207.11713	1.9
209.13231	5.7
211.14832	5.5
212.15480	1.0
213.16522	1.6
221.13326	3.0
223.14833	3.3
225.16428	2.1
227.12790	1.8
227.18008	1.3
230.99608	1.0
235.14833	2.2
237.16431	2.6
239.18089	1.4
240.26862	1.0
249.16507	1.2
251.18022	1.7
261.22128	2.3
263.18137	1.7
267.15839	1.6
275.20340	1.7
297.67911	1.1
307.20084	1.2
311.23590	1.5
335.26132	6.3
337.25412	1.9
453.33450	1.6
515.37299	1.4
517.40167	5.2
527.37195	8.9
535.41193	2.0
539.36938	1.4
541.39148	1.4
545.38538	8.1
591.43799	7.1
607.43317	2.1
609.45142	100.0
610.45154	4.5
651.46277	2.3
691.79230	1.2
717.47272	1.6
735.47363	1.7
771.50568	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	771.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.2
55.65516	0.8
57.03445	1.8
57.07089	4.3
59.04990	1.3
65.03926	1.1
67.05174	1.6
67.05508	22.5
69.03435	7.0
69.07069	21.6
69.33801	8.8
70.06590	1.5
71.05005	4.5
79.05498	12.4
81.03413	1.7
81.07060	100.0
82.07383	1.7
83.05008	4.3
83.08613	4.3
85.02896	3.3
85.06545	3.5
86.09702	2.6
87.04457	2.5
91.05482	7.5
93.03374	0.9
93.06469	1.8
93.07048	32.6
95.04977	8.3
95.08612	47.8
97.02887	3.2
97.06529	4.7
97.10181	3.8
98.98475	1.6
99.08086	3.0
105.07030	10.4
107.04984	1.6
107.08597	19.3
109.02873	1.3
109.06517	7.2
109.10162	30.7
110.10499	0.9
111.04472	1.4
111.08085	4.8
111.11726	1.7
113.09653	1.1
115.03921	1.0
116.98669	1.3
117.07001	1.0
117.19900	0.8
119.04929	5.1
119.08598	9.5
121.06507	2.4
121.10152	39.6
123.08083	2.5
123.11716	34.5
125.06030	0.8
125.09621	4.2
126.63527	0.7
127.03889	1.4
127.07585	1.0
127.11179	2.1
129.05528	1.4
129.07002	1.6
131.04915	0.8
131.08522	4.5
133.04895	0.9
133.10146	7.6
135.08070	3.1
135.11699	12.6
137.05977	1.9
137.09653	5.5
137.13271	23.7
139.11189	9.0
141.12733	2.8
143.08534	1.9
145.02875	1.7
145.10112	7.1
147.04428	15.0
147.11690	5.0
149.09618	3.7
149.13254	3.7
151.11172	3.3
153.12749	2.8
157.10159	2.5
159.11674	6.4
161.09669	1.1
161.13257	3.5
161.50824	0.9
163.03873	4.4
163.11166	3.0
163.14816	2.5
165.12770	2.9
167.10684	5.4
167.11940	0.7
169.12230	2.2
172.95206	2.5
173.09528	1.0
173.13199	3.4
175.11177	1.5
175.14853	3.0
177.05472	2.2
177.12721	2.0
177.16487	0.8
181.12241	1.0
184.18085	0.8
185.11781	1.1
185.13281	1.8
187.13266	5.3
187.14822	2.2
190.96301	1.5
191.14375	0.9
199.14793	1.5
201.16377	2.7
203.14357	1.2
205.15872	1.4
209.15382	1.7
211.14789	2.4
213.16269	1.1
219.01813	0.9
225.16420	1.1
227.17856	1.2
235.11029	4.5
241.08632	7.6
241.19492	1.1
250.67439	0.8
257.22626	3.3
259.20679	1.8
262.55301	0.9
267.21045	3.3
273.22018	1.5
275.23679	3.5
277.21640	21.5
285.22107	10.5
291.06671	3.1
291.23160	2.7
293.24600	1.0
295.22647	1.9
303.19580	1.1
303.23190	32.3
309.24286	5.3
321.24258	73.7
322.24487	2.0
339.25336	14.6
374.53021	1.0
375.27774	1.1
440.16904	0.9
447.11337	1.6
537.21191	5.9
548.20941	0.9
771.27716	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.05512	2.4
57.03430	0.3
61.64851	0.1
63.02388	0.5
67.05505	1.0
69.03422	0.8
69.07053	0.3
71.04996	2.2
71.59664	0.1
73.02895	0.2
73.06556	0.6
78.04720	0.3
79.05491	1.1
81.03423	1.4
81.07060	0.9
83.04984	5.5
85.02889	0.5
86.09709	0.1
89.03918	4.5
91.05478	1.9
93.07051	1.6
95.04973	0.5
95.08609	1.5
97.02895	1.4
97.06522	0.3
99.04446	0.4
101.06016	2.9
103.05476	0.3
105.06372	0.2
105.07034	2.4
107.04962	0.5
107.08590	2.5
109.02883	3.3
109.06544	0.7
109.10156	3.0
111.04453	1.3
111.08065	0.3
115.03942	0.1
117.03382	14.7
117.07035	0.3
119.08590	3.1
121.02916	0.2
121.06533	0.6
121.10133	1.1
123.04404	0.3
123.08102	0.7
123.08833	0.1
123.11722	0.3
124.05217	0.1
125.05996	0.2
127.03919	5.8
128.06261	0.2
129.07030	0.2
129.48866	0.1
130.07802	0.2
131.04973	0.2
131.08578	0.9
133.06503	1.9
133.10144	2.3
134.03647	1.1
134.10545	0.2
135.04425	1.4
135.08058	2.0
135.11684	0.6
137.05902	0.3
137.09586	0.5
138.76979	0.1
139.07587	0.2
140.22263	0.1
142.07771	0.3
143.08574	0.7
145.02849	51.7
145.10107	1.0
146.03181	1.0
147.04402	0.2
147.08061	1.2
147.11656	0.3
149.05981	5.9
149.09618	0.7
149.13330	0.1
151.07419	0.1
151.11160	0.4
153.05443	0.2
155.08565	0.2
157.10146	0.6
158.06036	0.6
159.08102	0.2
159.11697	0.7
161.09641	1.7
161.13310	0.1
162.03117	0.4
163.03908	1.1
163.11191	1.1
165.09090	1.5
167.07043	0.2
167.08578	0.2
169.10071	0.2
171.08051	0.2
171.11687	0.7
173.09648	0.4
173.13274	0.3
175.11218	0.2
175.58353	0.1
177.05472	100.0
178.05824	2.0
179.10684	1.4
181.04901	0.1
181.10175	0.7
181.12163	0.2
185.09593	1.2
185.13228	0.3
186.05511	2.6
187.11145	0.3
187.14888	0.2
189.09113	1.4
189.12782	0.3
191.10706	0.6
195.06541	6.7
195.11632	0.3
196.06879	0.2
197.09619	0.2
197.13240	0.1
199.11197	2.9
199.13051	0.2
199.14865	0.3
203.10692	0.5
205.12198	0.3
207.10194	2.4
209.11684	0.2
213.12653	0.2
217.12238	1.6
219.06425	0.2
221.11729	0.1
223.26439	0.2
225.11226	10.5
226.11642	0.3
227.12645	0.1
235.13249	0.3
235.46364	0.1
237.16171	0.2
239.12692	0.2
251.17949	0.2
255.17506	0.4
259.13275	0.1
267.12277	0.9
269.19034	0.3
273.18564	0.3
277.10724	8.9
278.11075	0.4
279.12338	0.2
279.17529	0.3
285.07666	0.4
287.20111	0.6
295.11774	35.0
296.12103	1.2
297.13339	0.2
297.18448	1.6
313.18008	0.4
315.19565	5.6
331.19095	0.3
333.13489	0.7
333.20532	0.4
351.14517	0.7
351.18442	0.1
357.20605	1.0
369.20663	0.2
375.21786	0.5
383.27914	0.1
405.20450	0.2
423.16293	0.3
423.21698	0.7
441.22711	2.6
459.23795	1.2
477.24988	0.1
668.01068	0.2
753.34882	1.5
771.36078	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17145	0.6
61.92994	0.5
69.03410	0.8
71.58670	1.0
81.03429	4.9
85.02892	0.9
90.12711	0.6
97.02844	1.3
109.02891	15.5
119.01971	0.6
127.03943	3.0
145.03407	0.6
147.04419	3.9
149.00941	4.0
149.02090	10.6
167.01875	5.3
167.03091	0.9
184.04575	0.6
185.02965	94.5
186.03159	3.0
201.00806	1.6
202.96475	0.8
203.04022	38.3
204.04187	1.7
208.04619	4.8
209.02959	14.0
209.04585	0.4
210.03154	0.6
211.04523	1.9
218.97826	0.8
220.97556	2.0
221.02972	2.1
223.04512	6.1
226.05443	0.7
227.03992	24.8
228.04248	1.0
233.02974	5.7
235.04492	4.3
237.06049	3.9
239.04099	5.1
241.05544	4.6
245.02934	4.4
245.04913	3.0
247.04619	1.7
249.06070	1.5
250.05711	1.1
251.04028	12.6
253.05605	6.1
263.04025	17.0
264.04526	0.8
265.05594	3.7
269.05121	3.0
271.04254	1.7
274.05832	0.7
275.04022	15.8
281.05035	5.9
286.05646	1.3
293.05066	40.2
294.05234	1.8
311.06110	55.7
312.06357	3.0
316.06711	3.6
317.04980	1.4
325.03864	0.7
329.07159	5.7
335.06113	15.9
353.07346	29.9
354.07523	1.3
371.08359	2.9
379.05283	3.6
397.07236	100.0
398.07220	2.6
415.07373	3.0
437.09317	26.2
438.09448	1.5
471.51532	0.7
479.10416	19.5
480.10703	1.3
523.09460	3.3
559.11761	0.7
675.60107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.7
55.05510	22.0
55.98091	1.1
57.03440	9.8
57.07063	1.4
65.03931	3.2
65.33782	1.2
67.05502	63.4
69.03426	4.8
69.07068	25.1
69.63715	5.9
69.64140	3.2
71.04986	5.3
73.06555	1.4
73.26677	1.2
79.05490	76.4
81.03414	13.2
81.07053	68.4
83.04979	16.5
83.08616	11.4
85.02900	3.0
85.06537	3.8
86.09702	1.9
91.05479	62.9
93.07043	70.7
95.04965	22.5
95.08602	37.5
97.02861	2.7
97.06528	15.6
97.10177	8.1
99.08081	2.7
104.10751	1.5
105.04496	1.6
105.07030	47.0
107.04951	12.3
107.08592	30.2
109.06511	7.7
109.10143	11.2
111.08080	3.3
115.05430	2.6
117.07013	16.1
119.08582	32.5
121.06495	4.9
121.10142	12.6
123.08054	6.6
123.11724	2.5
125.09625	4.4
127.03886	3.4
128.06181	2.8
129.07001	15.5
130.07785	1.9
131.08537	12.7
133.06537	1.7
133.10129	23.4
135.08057	3.5
135.11710	10.5
137.09621	2.3
139.11197	1.4
141.06985	2.0
142.07730	1.3
143.08580	9.5
145.10118	17.6
147.08070	2.5
147.11676	33.3
149.09615	10.2
149.13237	7.6
151.11182	2.5
155.08568	2.8
157.10146	2.7
159.11673	11.3
161.09584	5.0
161.13260	10.9
163.11191	6.5
164.84164	1.4
165.12863	1.7
169.10147	2.2
171.11673	20.1
173.04550	1.8
173.13211	3.9
175.14838	1.8
177.12762	2.7
179.14230	2.0
182.26648	1.5
184.07333	2.9
187.11211	1.3
187.14749	1.6
189.11285	1.4
189.12749	6.4
195.13875	1.6
203.17952	3.6
207.13800	18.2
225.14752	2.7
227.12788	5.2
239.17920	2.7
255.15829	7.5
257.18979	7.0
267.15970	1.7
269.17496	11.0
275.20065	23.7
281.17471	55.8
331.22641	2.6
337.27191	1.4
349.23724	18.8
413.21710	2.2
435.27554	3.2
451.26910	2.4
457.29227	1.9
461.28983	26.2
475.30539	100.0
476.30792	2.3
515.33209	1.5
537.35590	2.7
555.36774	43.2
556.36920	2.1
573.37939	9.0
595.30939	1.3
619.34479	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	770.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.9
55.05512	2.8
55.79004	0.4
55.81802	0.5
57.03182	0.6
57.03437	6.5
58.86494	0.4
65.03948	0.6
67.05496	2.8
67.19338	0.4
69.03419	1.3
69.07057	3.7
69.78327	2.6
71.01343	0.9
71.04991	2.3
73.02928	2.9
75.04472	1.5
77.03905	0.6
79.05495	9.3
81.03422	0.7
81.07056	19.1
83.04977	3.0
85.02908	4.8
85.06535	2.1
91.05479	12.4
92.84367	0.4
93.07043	61.0
94.07362	0.6
95.01324	3.3
95.04966	6.7
95.08610	3.3
97.02892	1.1
97.06533	8.1
99.00842	0.5
99.04458	7.0
101.02396	0.4
101.06057	2.3
103.03937	2.0
105.04539	0.7
105.07031	25.2
106.07309	0.5
107.04934	2.2
107.08592	11.2
107.86561	0.5
109.06518	10.2
111.08096	0.6
113.02377	2.0
113.06027	1.2
115.07596	1.2
117.05459	0.6
117.07021	1.6
119.04917	2.2
119.08584	21.7
121.06505	62.0
121.10112	0.8
122.06830	0.9
123.04430	0.8
123.08073	1.2
125.05983	0.9
127.03784	0.5
127.07557	6.4
128.06200	0.6
129.05489	7.8
129.06984	3.4
131.03421	0.9
131.08553	5.1
131.09410	0.6
133.06496	2.8
133.10133	16.0
135.04437	1.4
135.08031	4.6
137.05981	2.0
139.07541	10.6
141.01805	5.4
141.05484	0.6
141.06935	0.6
142.07793	3.2
143.08569	7.2
145.06465	0.7
145.10133	7.3
147.08047	5.3
147.11687	32.2
148.12021	0.9
149.05971	0.8
153.09096	1.1
155.08559	1.6
156.08145	0.7
156.09343	4.1
156.12823	0.4
157.06543	0.7
157.08784	0.8
157.10121	14.9
159.02924	0.8
159.08070	1.5
159.11681	1.1
160.08813	0.6
161.05992	1.0
161.09599	4.4
161.13266	15.7
165.09183	0.7
166.07799	0.7
168.39735	0.5
169.08568	1.2
171.08046	0.8
171.10202	1.4
171.11673	17.5
173.09538	2.7
173.13159	2.2
174.07591	0.5
175.07582	1.7
175.11179	19.1
181.10175	1.7
187.11160	0.8
189.12741	43.0
190.13080	1.3
191.07062	0.5
193.08633	0.6
193.12239	1.9
195.10173	11.5
195.11873	0.9
199.11185	14.0
207.13794	5.2
213.11214	5.2
217.12244	42.2
218.12521	0.8
235.13261	5.4
249.15019	0.7
253.14410	1.3
263.16373	0.7
265.62378	0.4
267.16110	1.0
273.14792	0.9
289.40393	0.5
291.15909	22.6
292.16177	0.6
297.09659	0.6
309.16953	28.2
310.17398	0.7
311.56979	0.4
327.18140	0.5
365.19650	3.5
383.20633	100.0
384.21030	3.3
387.18311	0.5
393.15475	0.6
401.21625	1.0
449.18005	0.8
467.18997	3.3
485.20248	0.9
505.20532	0.5
523.21814	0.9
541.22845	7.0
559.23877	36.7
560.23920	1.7
660.45953	0.5
735.26788	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	765.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
55.05518	1.3
57.03439	1.9
61.02930	5.5
64.52101	0.5
67.05509	4.3
69.03439	2.5
69.03750	0.5
69.07073	1.5
69.57448	2.7
69.57866	0.8
71.04984	1.0
71.45405	0.4
73.02922	3.6
78.55182	0.5
79.05508	3.6
81.03418	2.9
81.07062	4.0
83.04997	0.9
83.08620	0.7
86.09713	0.8
91.03950	3.6
91.05502	2.3
93.07050	4.5
94.18081	0.5
95.04980	1.1
95.08611	2.8
97.02904	5.5
97.06535	0.9
99.04498	0.9
101.01808	0.4
101.02393	2.6
103.03983	1.0
105.07040	2.0
107.08610	2.3
109.02913	1.1
109.10180	1.3
111.08090	0.5
117.07049	0.4
119.08606	1.2
121.10157	3.2
127.03935	2.2
131.08606	1.2
133.10139	0.6
135.11681	0.7
139.11234	0.9
145.05011	0.6
145.10146	0.8
147.08217	0.4
147.11763	0.7
149.09639	1.1
149.13200	0.5
157.10179	0.6
184.07394	2.3
185.04317	1.0
193.12326	1.0
203.05406	0.5
225.11131	0.5
243.08434	2.8
246.73213	0.4
251.12532	1.0
267.15994	0.5
269.13705	1.9
281.13614	0.6
301.09244	0.4
325.16284	0.6
335.25879	0.6
341.08859	0.5
358.91782	0.4
371.16870	0.6
425.18204	0.6
443.18921	5.6
469.20703	2.7
487.21573	6.0
519.29468	8.2
589.36115	0.5
591.31360	0.8
721.41150	1.7
747.43134	1.9
765.43982	100.0
766.44672	2.8
785.62335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.9
57.03399	1.1
58.03192	0.2
61.02925	2.2
65.03911	0.7
68.99490	0.2
68.99783	2.3
69.03429	4.5
71.04972	0.6
71.10155	0.3
71.10493	0.5
73.02889	0.6
81.03416	2.7
83.01296	0.3
85.02907	10.7
87.04434	0.3
91.03905	0.9
92.02629	1.6
93.03406	1.9
95.01290	0.8
95.04938	0.3
97.02899	4.3
99.04414	0.5
103.05423	0.3
105.07024	0.4
109.02879	1.4
109.03475	0.3
110.03627	0.8
111.00803	1.2
115.05426	0.5
117.06961	0.3
119.01250	0.5
119.08582	0.3
121.02883	2.0
121.06500	0.6
123.04391	0.5
126.03136	0.4
127.03898	2.2
131.04924	0.5
133.02835	0.4
133.06470	0.3
135.04425	0.3
137.02341	8.4
137.03386	0.5
145.04933	1.4
145.06494	0.3
147.04390	0.8
149.02272	0.5
150.03041	0.3
153.01828	32.1
154.02165	0.4
161.05959	1.0
163.03896	0.8
165.01826	3.2
166.02594	0.4
167.07013	0.3
171.03035	0.4
171.04398	1.0
173.05949	0.9
175.03816	0.3
177.05385	0.9
179.03392	3.4
183.02861	0.8
183.04379	0.5
187.03908	0.5
189.05461	2.6
191.03387	0.8
193.01274	1.1
195.02820	0.7
199.03891	0.7
200.04776	1.2
201.05472	2.9
203.03416	2.3
204.04178	0.6
205.04842	0.3
213.05472	0.6
215.03445	0.3
217.04964	14.8
218.05534	1.0
219.02902	0.7
227.03392	3.5
228.04178	4.1
229.04973	10.2
230.05331	0.4
231.02890	1.2
239.03346	0.9
240.04137	0.3
241.04961	0.5
245.04471	16.4
246.05188	1.7
247.05910	1.0
253.04922	0.4
255.02916	2.7
256.03598	1.1
257.04446	6.9
258.05154	0.7
262.03146	0.3
267.02954	0.4
269.04437	2.5
273.03937	78.2
274.04657	8.7
275.05334	0.6
284.03210	0.5
285.03940	8.2
285.07019	0.5
286.04575	0.6
301.03439	26.0
302.04205	45.8
303.04990	100.0
304.05286	2.5
313.03409	40.6
314.03677	0.9
329.03763	0.3
331.06015	0.5
359.05533	0.6
363.05023	0.3
377.06744	1.6
387.04916	0.7
391.04468	0.3
392.05142	0.6
405.05991	2.1
421.05600	1.5
433.05722	1.9
440.50488	0.3
451.06680	0.6
493.04611	0.4
539.06232	0.8
557.07330	1.8
567.04907	0.4
585.06653	12.9
586.06573	0.4
603.07697	92.3
604.08026	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	765.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76638	0.2
55.01866	0.7
56.96560	0.3
57.03427	0.7
59.96532	0.2
61.02927	2.2
68.99783	1.4
69.03426	1.9
70.06582	0.7
71.01350	0.2
71.04968	0.2
71.58073	0.2
71.58427	0.2
72.08160	1.0
73.02908	0.8
81.03414	1.6
85.02422	0.4
85.02905	5.4
86.09702	0.3
87.04461	0.2
89.03905	0.3
91.03968	0.9
91.05479	0.4
95.04973	0.3
97.02891	2.3
99.04466	0.5
101.02390	0.2
104.31680	0.2
105.03410	1.2
107.01350	0.3
107.04952	0.3
109.02877	1.2
110.03639	0.2
111.00819	0.6
111.04487	0.3
115.95837	0.2
116.98602	0.2
117.03412	0.3
117.26031	0.2
119.04966	0.3
120.08100	0.2
121.02852	1.1
121.06503	0.2
123.04433	0.5
127.03901	1.8
131.04958	0.5
135.04407	1.2
137.02345	18.6
137.03410	1.4
138.02666	0.2
138.32309	0.2
139.03992	0.2
145.02840	1.1
145.05008	0.6
147.04427	1.6
149.02356	0.8
153.01825	15.0
159.04482	0.4
161.02377	0.8
161.06035	0.3
163.03903	6.0
165.01884	0.9
167.06960	0.2
171.02928	0.9
171.04381	0.4
171.14909	0.2
174.03064	0.2
175.03929	0.5
177.01843	0.5
177.05473	0.8
179.03394	0.3
179.07047	0.3
183.02864	0.2
187.03973	0.5
189.01906	0.6
189.05518	0.6
191.03517	0.3
199.03928	0.6
199.14429	0.3
200.04697	0.2
201.05522	0.3
203.03389	2.2
205.04973	1.3
207.02904	1.9
211.04070	0.2
212.98395	0.3
215.03436	0.6
216.04187	0.4
217.05000	1.7
227.03406	0.7
228.04106	0.5
229.05002	0.9
231.02959	0.3
235.07678	0.2
238.99977	0.3
239.03484	0.4
241.05040	0.4
243.02921	0.7
245.04434	2.5
245.06720	0.2
247.05827	0.3
253.04930	0.3
255.02948	0.8
256.03772	0.5
257.04407	1.0
259.02084	0.2
259.06073	0.5
263.07141	0.3
265.04974	0.4
267.02994	0.4
267.06628	0.2
269.04520	0.8
271.02396	1.5
273.03812	2.8
274.04645	0.7
275.07217	0.2
279.06577	0.6
281.04474	0.7
283.02451	0.6
283.05981	0.4
285.03940	1.7
287.01740	0.3
287.05573	0.6
289.04926	0.3
291.06415	0.2
293.04379	0.5
295.02548	0.5
295.06033	0.5
297.03964	2.8
298.04523	1.4
299.05594	0.7
301.03293	2.4
302.04132	1.7
303.04898	5.0
305.04535	0.3
307.06113	0.7
309.04083	0.3
309.07635	0.3
311.05609	0.9
313.03351	1.8
315.04938	2.8
319.06015	0.9
321.00653	0.7
321.04019	0.5
321.07339	0.3
323.05499	0.5
325.03491	0.9
331.06049	0.7
333.03922	0.4
333.07639	0.2
335.05389	1.0
337.03479	0.6
337.07193	0.4
339.01535	0.5
339.05084	1.0
341.03024	0.4
341.06540	1.7
343.04611	0.7
347.05527	1.8
349.07156	0.8
351.05060	0.8
353.06552	0.6
359.05573	0.4
361.03500	0.7
363.04980	0.8
364.05429	0.3
365.06644	1.3
367.04633	0.5
375.04993	0.5
377.06564	1.1
379.04657	0.9
381.06503	0.4
385.06827	0.3
389.06903	0.4
391.04495	0.6
392.05264	1.4
393.06177	1.8
395.07562	0.7
403.04419	0.7
405.05820	0.4
407.03989	0.5
409.02188	0.7
409.06662	0.4
410.06302	0.3
411.07196	0.6
413.06464	0.5
421.05505	3.1
423.07178	1.0
435.03546	0.4
437.05237	0.7
441.05789	0.6
443.07968	0.3
445.05603	0.7
449.05112	0.3
451.06766	0.6
453.04587	0.8
455.07486	0.4
459.07187	1.0
463.06775	0.6
465.05124	0.4
467.06757	0.3
469.05762	0.7
483.07089	0.7
487.06583	2.8
501.07968	1.2
511.06699	1.4
515.06323	0.6
529.07867	1.7
539.06238	0.4
547.08667	3.5
557.07184	0.6
574.06836	0.5
575.08472	1.1
585.06262	0.4
603.07678	100.0
604.08002	4.9
627.07434	0.3
645.09283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01865	0.9
55.05511	2.0
57.03440	0.3
57.07070	0.4
59.04985	0.5
64.65661	0.2
65.03932	0.7
67.05172	0.3
67.05511	5.3
68.99792	0.6
69.03430	4.3
69.07067	1.3
70.07934	1.4
70.25742	0.2
70.72047	0.3
71.01356	0.3
71.04997	1.8
73.02911	0.7
74.70647	0.3
79.05048	0.5
79.05492	5.8
81.03421	5.8
81.07056	6.4
82.62123	0.3
83.01340	0.7
83.04983	2.3
83.08607	0.6
85.02915	2.1
91.05478	7.3
93.03408	0.4
93.06466	0.6
93.07050	11.3
95.04965	2.7
95.08613	6.7
97.02895	7.7
97.06519	0.9
99.04453	2.0
103.05476	0.5
105.03406	0.6
105.04503	0.3
105.07036	14.2
107.04965	3.1
107.08601	12.8
108.08910	0.3
109.02885	11.0
109.06516	3.6
109.10159	11.6
111.00809	0.4
111.04442	6.0
111.08074	1.6
113.06030	0.5
115.03934	0.4
115.05447	0.7
117.07014	2.7
119.04959	0.4
119.08590	18.4
120.08904	0.5
121.02883	3.4
121.06529	2.9
121.10145	5.5
123.04436	1.9
123.08067	3.3
123.11713	2.4
125.05983	0.6
125.09614	0.4
127.03925	21.6
128.06242	1.1
129.05492	0.3
129.06996	2.4
130.07768	0.7
131.04985	0.3
131.08569	4.2
133.02869	0.5
133.06508	8.5
133.10136	13.3
135.08060	7.4
135.11664	2.3
137.02330	0.5
137.05959	0.8
137.09627	2.2
137.13258	0.4
139.07495	0.5
141.06978	0.8
142.07758	1.2
143.08556	4.1
144.09364	0.6
145.04964	1.6
145.06482	1.3
145.10127	4.1
146.07268	0.4
147.04443	0.6
147.08060	7.8
147.11696	1.8
149.09633	4.0
151.07535	0.5
151.11185	1.5
153.01814	2.9
155.08557	1.1
156.09370	1.1
157.06462	0.6
157.10139	3.3
159.08083	0.9
159.11696	3.6
161.06007	0.4
161.09631	8.7
161.13295	0.7
163.07518	0.5
163.11185	4.8
165.01851	1.5
165.05582	0.3
165.07047	0.5
165.09116	8.2
166.07791	1.2
167.08539	0.5
167.10727	0.5
168.09389	0.3
169.10162	1.7
170.10927	0.4
171.08044	1.1
171.11691	3.7
172.08638	0.2
173.09648	1.3
173.13240	1.3
175.07625	0.6
175.11208	1.3
175.14844	0.4
177.09155	0.4
179.10681	5.9
180.09393	0.4
181.10118	2.8
183.02861	0.8
183.08054	0.4
183.11716	0.9
184.08827	0.4
185.09595	4.8
185.13274	1.2
187.11214	1.6
187.14819	1.0
189.09111	5.7
189.12750	1.1
189.16309	0.3
191.10683	1.8
194.10773	0.4
195.11713	0.7
196.12399	0.4
197.09654	0.6
197.13272	1.2
199.11197	10.5
199.14816	1.9
201.09103	0.4
201.12822	0.6
203.10692	1.1
205.12086	0.6
207.10184	9.0
207.11795	0.3
209.09738	0.3
209.11722	0.8
209.13351	0.8
211.11124	0.6
211.14896	0.6
213.05530	1.3
213.12732	0.7
215.10815	0.6
217.12256	5.3
217.15762	0.4
223.11263	0.4
225.11226	21.4
226.11533	0.3
227.10645	0.3
227.17957	0.8
227.66971	0.3
229.12349	0.3
231.06532	0.6
231.13881	0.4
235.13329	1.1
237.12852	0.5
237.16399	0.7
239.12706	0.4
241.04965	0.8
241.12357	0.6
249.11137	0.4
251.17929	1.2
253.19429	0.3
255.17395	0.4
258.05243	1.0
259.05945	0.6
259.13339	0.6
267.12308	2.0
269.18982	1.1
273.18610	0.7
279.12314	0.4
279.17523	1.1
287.05511	100.0
287.19879	1.6
288.05835	2.4
295.17264	0.3
297.18484	4.6
309.18497	0.3
313.17871	0.8
315.19562	10.7
316.20035	0.6
329.06552	1.4
331.19208	0.4
333.13394	1.2
333.20529	0.6
351.14392	1.2
353.06555	0.5
357.20566	2.6
368.83612	0.2
369.20679	0.6
375.21567	0.4
377.06757	0.4
395.07614	0.7
405.20947	0.5
423.21808	2.1
441.22751	5.5
459.23975	1.5
784.58728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01863	1.5
55.05501	1.2
57.03416	0.3
65.03928	1.2
67.05171	0.4
67.05504	6.3
68.99785	0.4
69.03121	0.4
69.03433	4.1
69.07055	1.1
70.95803	0.5
70.96123	0.4
71.01333	0.4
71.04624	0.3
71.04988	1.6
71.95212	0.3
73.02899	0.6
79.05057	0.5
79.05493	6.6
81.02974	0.6
81.03418	7.6
81.07061	7.3
83.01296	0.5
83.04971	1.1
83.08635	0.5
85.02901	1.0
85.06513	0.3
91.05480	8.6
91.69486	0.3
93.07043	12.6
95.04974	3.0
95.08605	7.0
97.02892	7.1
97.06518	1.1
99.04467	2.3
103.05465	0.5
105.03410	0.5
105.07027	16.7
105.10340	0.3
107.04958	3.4
107.08592	13.6
108.08878	0.3
109.02119	0.5
109.02876	9.4
109.06509	4.1
109.10152	14.1
111.00812	0.8
111.04439	5.0
111.08077	1.4
112.39294	0.3
113.06032	0.5
115.05445	1.4
117.07022	3.2
119.04922	0.7
119.08579	19.8
120.08913	0.4
121.02859	3.6
121.06505	4.0
121.10139	5.7
123.04434	2.2
123.08060	3.5
123.11701	1.7
125.05958	1.1
127.03918	19.5
128.04248	0.4
128.06215	1.5
129.06989	2.2
130.07745	0.5
131.04948	0.5
131.08563	3.5
133.02859	0.7
133.06534	1.7
133.10130	15.6
135.04443	0.4
135.08046	8.6
135.11708	2.5
137.02370	0.5
137.06000	1.0
137.09573	2.3
137.13213	0.5
139.07481	0.5
141.06969	0.8
142.07748	1.5
143.08566	4.4
145.04968	1.9
145.06523	1.6
145.10124	4.0
146.07307	0.4
147.04355	0.7
147.08044	9.4
147.11684	2.3
149.05966	0.4
149.09622	4.0
151.07651	0.3
151.11241	1.6
152.06369	0.3
153.01830	3.7
153.06880	0.4
153.09128	0.4
155.08546	0.9
156.09377	0.7
157.06508	1.0
157.10126	2.6
159.08049	1.3
159.11659	1.7
161.05968	0.7
161.09630	10.3
161.13196	0.7
163.03914	0.4
163.07509	0.4
163.11174	5.9
165.01805	1.5
165.06982	1.0
165.09120	8.6
166.07777	1.9
169.10106	1.1
171.08026	1.3
171.11681	3.3
173.09648	1.0
173.13188	0.6
175.07625	0.5
175.11194	1.5
177.05450	0.4
177.09079	0.3
177.12685	0.5
179.10674	7.1
181.10104	3.2
183.02954	0.6
184.07335	0.5
184.08835	0.7
185.06009	0.6
185.09645	5.5
185.13280	0.6
187.11177	1.2
189.09117	6.6
189.12721	1.1
191.10658	1.5
193.10237	0.3
195.11736	0.6
197.09557	0.8
197.13249	0.6
199.11183	13.9
200.11597	0.4
203.10666	1.6
205.12198	0.6
207.10156	9.1
209.11601	0.4
211.11134	0.5
213.05452	0.9
213.12787	0.4
217.12218	6.5
225.11214	28.2
226.11580	0.8
227.17900	0.5
231.06468	0.9
231.13861	0.5
235.13271	1.3
237.16354	0.4
241.04890	0.7
249.11150	0.4
251.18008	0.6
255.13620	0.3
255.17412	0.4
258.05276	1.1
259.05893	0.8
259.13275	0.6
267.12280	2.7
269.19028	0.8
273.18506	0.5
279.12241	0.4
279.17447	0.5
287.05496	100.0
288.05817	3.0
297.13495	0.6
297.18475	1.9
311.05389	0.4
315.19571	11.0
329.06561	1.9
333.13324	1.0
351.14346	1.2
353.06619	0.5
357.20633	3.9
369.20581	0.9
375.21695	0.6
387.19797	0.4
405.20737	0.8
423.21530	2.0
441.16629	0.4
441.22742	7.1
459.23679	0.9
568.22998	0.3
717.54578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01864	1.2
55.05503	1.7
57.03428	1.1
57.07064	0.4
58.07235	0.3
59.05000	0.6
65.03938	0.8
67.05508	5.2
68.99776	0.5
69.03426	4.4
69.07065	1.4
69.40322	0.7
69.40749	1.9
71.01357	0.4
71.05000	2.0
73.02921	0.6
75.01810	0.3
75.91247	0.2
76.39894	0.3
77.03924	0.4
79.05494	4.8
81.03422	6.2
81.07063	5.2
83.01333	0.4
83.04990	2.4
83.08611	0.8
85.02905	3.1
85.06545	0.7
87.04464	0.4
91.05481	6.8
93.07053	9.0
95.04958	2.7
95.08608	6.4
97.02895	7.2
97.06544	1.8
99.04453	2.3
103.05462	0.8
105.03391	0.7
105.04594	0.4
105.07031	14.6
107.04954	3.3
107.08598	12.3
109.02881	12.1
109.03460	0.2
109.06530	3.2
109.10160	12.6
111.00793	0.6
111.04443	6.8
111.08108	1.3
113.05978	0.5
115.03909	0.4
115.05433	0.7
117.07031	2.4
119.04910	0.4
119.08584	19.0
120.08864	0.3
121.02867	3.2
121.06502	3.3
121.10141	5.6
121.28915	0.3
121.37160	0.3
123.04448	1.7
123.08070	3.3
123.11723	1.8
125.05997	0.7
127.03918	22.1
128.06216	1.3
129.05472	0.9
129.07024	2.0
130.07764	0.6
131.08572	3.4
133.02917	0.4
133.06502	9.6
133.10141	13.2
135.04384	0.4
135.08057	7.2
135.11702	2.4
137.02347	0.5
137.05994	0.8
137.09605	2.0
137.13239	0.8
139.07574	0.4
141.06975	0.7
142.07773	1.1
143.08574	4.0
145.04968	1.6
145.06477	1.0
145.10126	4.5
147.04393	0.6
147.06322	0.3
147.08052	7.4
147.11671	1.7
149.05952	0.4
149.09624	3.8
151.11205	1.4
153.01828	3.3
153.05507	0.3
153.06969	0.5
153.09096	0.3
155.08562	0.8
156.09390	1.0
157.06448	0.8
157.10120	3.5
159.08081	1.3
159.11681	2.7
161.05940	0.6
161.09630	9.3
161.13263	0.7
163.07553	0.7
163.11182	4.2
165.01834	1.2
165.06963	0.9
165.07646	0.4
165.09117	7.3
166.07745	0.8
167.08528	0.7
169.10127	1.2
171.08046	0.9
171.11685	3.2
172.12213	0.3
173.09601	1.1
173.13301	1.7
175.11174	1.2
175.14825	0.4
177.09032	0.4
179.08586	0.2
179.08995	0.4
179.10675	5.9
181.10118	2.8
183.02914	0.7
183.08058	0.3
183.11714	0.5
184.12427	0.4
185.06078	0.4
185.09618	5.3
185.13226	1.4
187.11185	1.8
187.14847	0.8
189.09099	5.4
189.12750	0.9
189.16394	0.4
191.10698	1.4
195.11687	0.8
197.09660	0.5
197.13326	0.7
199.11189	12.4
199.14798	1.3
200.11540	0.4
201.12776	0.5
203.10747	1.1
205.12268	0.5
207.10162	8.4
207.12003	0.6
209.09790	0.4
209.11676	0.8
209.13324	0.8
211.14886	0.7
213.05571	1.3
213.09206	0.3
213.12709	1.1
213.16469	0.3
217.12248	5.2
221.13518	0.4
225.11223	22.9
227.10760	0.5
227.17894	0.5
231.06570	0.8
234.37849	0.3
235.13268	1.0
237.02840	0.5
237.16312	0.7
239.17955	0.3
241.05008	0.8
241.12247	0.5
241.19577	0.5
249.11214	0.6
251.18063	0.7
255.13699	0.4
255.17496	0.9
258.05185	1.0
259.06125	0.7
259.13300	0.6
267.12241	2.3
269.19144	1.4
273.18445	0.5
273.74072	0.3
279.12357	0.6
279.17575	1.3
286.04694	0.4
287.05502	100.0
287.19763	1.3
288.05844	2.4
293.12299	0.5
295.17200	0.3
297.13348	0.4
297.18484	5.1
313.17847	0.8
315.19550	12.2
316.20062	0.5
329.06570	1.8
331.19119	0.6
333.13300	0.9
333.20508	0.6
335.14758	0.3
351.14301	1.1
351.18768	0.3
353.06680	0.5
357.20538	2.7
369.20755	0.7
375.21762	0.7
393.20679	0.5
395.07666	0.6
405.20325	0.7
423.21909	2.2
441.22720	6.5
459.23682	1.5
477.25833	0.3
630.09937	0.3
673.33954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17706	0.1
55.05505	0.3
56.05029	0.5
57.03437	0.2
57.07063	0.2
58.06356	0.1
58.06635	0.4
60.08165	6.1
67.05503	0.7
69.07064	0.2
69.61095	1.1
70.06577	0.2
71.07374	2.7
72.88560	0.1
79.05508	0.2
81.03421	0.5
81.07049	0.8
83.08606	0.2
86.09706	26.6
87.10040	0.2
91.05473	0.4
93.07047	0.5
95.04979	0.2
95.08610	0.5
98.98458	2.7
104.10748	2.0
105.07024	0.3
105.88644	0.2
109.10169	0.2
111.08099	0.1
119.08607	0.3
121.10136	0.2
125.00005	18.7
143.01030	0.3
146.85663	0.2
147.11679	0.2
164.25165	0.1
166.02718	0.2
175.14799	0.2
184.07341	100.0
185.07735	1.0
203.93147	0.1
204.45009	0.1
265.77863	0.1
267.15958	0.4
337.27374	0.3
375.64548	0.2
385.50052	0.1
459.43600	0.2
529.38593	0.6
540.32660	0.2
547.39508	0.2
712.45459	8.5
713.46136	0.8
762.39301	0.2
763.42358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03996	0.2
54.45280	0.2
55.05514	0.4
56.05038	0.3
57.03437	0.2
58.06625	0.6
60.08163	5.8
60.08473	0.3
60.48616	0.2
67.05500	1.2
69.07075	0.5
69.69043	1.5
71.04975	0.2
71.07372	2.8
79.05487	0.4
81.03414	1.1
81.07059	0.9
83.08627	0.4
86.09706	28.6
87.10023	0.3
91.05510	0.4
93.07056	0.3
95.04941	0.4
95.08614	0.8
98.98470	2.7
102.06261	0.2
104.10748	2.0
105.07011	0.3
109.10148	0.5
119.08627	0.5
121.10212	0.3
125.00005	18.4
143.01018	0.4
156.21332	0.2
159.58112	0.2
166.02646	0.3
184.07341	100.0
185.07674	1.1
193.12227	0.4
204.13922	0.2
238.27180	0.2
267.15836	0.5
337.27426	0.8
509.38382	0.2
529.38928	0.4
547.39966	0.5
548.62323	0.3
712.45471	8.5
713.45697	0.3
762.40503	1.1
763.42450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13012	0.3
55.05513	0.5
57.07058	0.3
61.02929	0.7
65.16831	0.3
65.79041	0.3
67.05504	1.0
69.07061	0.4
69.64516	2.1
79.05486	0.6
81.03415	0.4
81.07070	1.1
85.02892	0.8
91.05477	1.1
93.07047	0.6
95.08633	0.8
97.02900	0.4
98.21528	0.3
105.07060	0.6
105.40032	0.3
109.10133	0.5
119.08603	0.9
120.38938	0.4
121.10181	0.5
133.10138	0.9
135.11720	0.4
145.10149	0.4
184.07463	0.6
197.70795	0.3
237.43396	0.3
353.80261	0.4
430.39804	0.3
437.17645	0.4
452.32126	0.4
483.16699	0.7
519.29797	0.7
560.32660	0.4
761.38770	100.0
762.39154	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.7
69.07072	0.8
79.05490	0.9
81.07063	1.4
91.05434	0.6
93.07050	0.6
95.08616	1.4
98.20796	1.4
105.07071	0.8
107.08606	0.7
119.08609	0.6
121.10174	0.8
135.11720	0.5
135.18549	0.5
145.30739	0.5
161.86641	0.4
183.46294	0.6
184.07422	0.7
184.48039	0.5
333.15115	0.5
351.32742	0.6
368.94809	0.6
483.16391	0.9
535.27191	0.5
546.38483	1.0
681.19116	0.6
697.23462	0.6
702.39856	0.8
761.38715	100.0
762.38965	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	760.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01867	3.6
55.05510	25.3
57.03440	26.7
57.07063	2.6
60.08165	3.5
61.02912	2.3
63.11931	1.0
65.03933	2.8
67.05502	75.4
68.05841	1.3
69.03430	4.0
69.07064	17.1
69.99612	5.7
71.04997	5.8
71.07381	3.1
72.04906	1.0
79.05489	51.0
81.03416	97.3
81.07054	77.8
82.07365	1.6
83.04977	8.4
83.08613	26.0
85.02901	3.9
85.06544	2.7
86.09706	21.4
87.67633	1.0
91.03947	1.4
91.05479	41.6
93.07040	58.7
94.07358	1.4
95.04967	32.8
95.08601	48.4
96.08946	1.2
97.02889	4.4
97.06522	8.2
97.10172	10.1
98.98458	2.7
99.08118	3.1
103.05443	1.2
103.58555	1.0
104.10723	2.0
105.07024	36.1
105.91093	1.2
107.04951	9.6
107.07867	1.6
107.08596	31.6
108.08920	1.8
109.06493	6.5
109.10150	25.4
111.04450	2.7
111.08083	8.5
115.05489	1.7
117.07010	9.9
119.08575	29.2
119.17125	1.1
120.08932	1.3
121.06481	5.5
121.10143	31.6
122.10473	1.2
123.08067	4.1
123.11678	8.4
124.99989	16.8
125.09613	5.8
129.07007	15.5
131.08560	24.3
133.06461	2.6
133.10129	19.3
135.08046	3.3
135.11678	16.3
137.05930	1.2
137.09578	3.1
137.13301	2.2
139.11176	1.9
142.07808	3.1
143.08568	3.4
145.10124	11.2
147.08057	4.0
147.11685	17.1
149.09599	7.5
149.13249	9.6
151.11163	1.3
153.09081	1.0
155.08604	1.5
157.10132	16.1
159.08112	1.1
159.11736	8.8
161.13206	7.4
163.11162	4.2
163.14816	4.7
165.12747	3.1
169.10277	1.6
171.11673	2.9
173.11925	1.5
173.13232	7.5
175.11153	11.0
175.14850	2.3
176.83051	1.0
181.12343	1.0
184.07332	74.7
185.13252	3.3
187.14827	3.7
189.11234	3.9
191.10641	1.1
191.14256	1.3
193.12233	27.7
197.13225	1.1
199.14912	1.2
205.12177	1.3
211.13211	2.7
227.12724	10.1
229.14339	1.3
233.15340	1.8
235.16887	1.7
243.21063	5.4
249.14999	1.7
259.20450	1.6
261.22116	17.9
267.15903	100.0
283.15356	1.6
284.15811	1.6
285.17004	2.4
299.23727	2.7
301.25253	6.4
303.22998	1.2
309.16940	2.9
317.24698	3.7
333.24139	1.9
335.25781	87.8
336.26089	5.3
359.25568	1.7
363.25293	1.5
421.25601	2.3
435.27390	1.7
435.32639	6.5
453.33606	9.6
471.34860	5.3
509.36395	1.4
527.37292	64.7
528.37518	4.0
534.82574	1.3
545.38318	65.5
546.38641	3.2
563.39294	6.8
569.38342	3.6
571.47583	1.5
620.34210	1.2
631.45221	1.4
635.39392	1.9
710.43433	4.6
760.43140	11.6
761.40863	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	760.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01877	3.7
55.05512	22.3
55.22452	1.4
57.03186	2.1
57.03439	25.0
57.07074	3.5
61.02909	3.8
65.03938	3.4
67.05505	83.6
69.03426	3.0
69.07069	18.5
71.04997	3.6
71.60414	2.7
73.02907	2.7
79.05496	62.2
81.03419	96.9
81.07058	78.2
83.04979	6.9
83.08618	28.3
85.02907	6.9
85.06538	3.6
86.09698	1.8
87.04497	2.0
91.03982	2.3
91.05485	44.6
93.07048	63.7
95.04976	34.6
95.08610	52.0
97.02882	6.1
97.06522	5.5
97.10176	10.1
99.08139	2.3
105.03414	1.6
105.07031	35.9
107.04974	9.1
107.08604	36.2
109.06520	5.9
109.10162	29.5
111.04436	2.2
111.08076	9.2
115.05431	1.9
117.07013	10.7
119.08588	28.2
121.06546	4.9
121.10142	31.1
123.04435	1.8
123.08082	4.8
123.11698	9.1
125.00037	2.2
125.09649	6.1
129.07011	12.8
131.08569	25.4
133.06494	4.3
133.10146	17.7
135.08043	2.8
135.11716	17.5
137.09650	2.6
137.13284	3.2
139.11295	1.6
142.07732	3.4
143.08586	3.7
145.10121	16.3
147.08084	4.0
147.11694	18.4
149.05959	3.8
149.09628	6.2
149.13280	11.1
157.10146	12.4
159.11697	8.9
161.13252	5.6
163.11200	4.5
163.14845	5.0
165.12784	2.3
169.10103	1.8
171.11658	3.3
173.13277	5.4
175.11191	8.4
175.14891	2.9
179.14345	1.8
184.07320	5.6
185.13248	2.4
187.14835	4.3
189.11250	3.2
193.12247	25.8
201.16287	1.8
227.12755	8.1
238.29497	1.7
243.21172	5.2
249.14903	2.3
261.22110	19.8
267.15921	95.4
268.16232	1.6
271.20532	1.8
279.23367	2.3
285.16550	2.1
287.23590	2.0
289.21716	1.9
301.25296	6.2
317.24826	3.7
333.24207	1.7
335.25818	100.0
336.26147	5.5
337.26395	2.9
359.25912	1.6
417.31454	3.0
421.25906	1.9
435.27246	2.6
435.32452	7.2
441.80212	1.8
453.33731	9.7
471.34616	6.0
509.36145	1.8
527.37384	68.9
528.37921	2.8
545.38391	65.2
545.46820	3.8
546.38647	3.1
563.39124	5.7
569.38885	2.0
657.18280	2.2
760.41345	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01834	0.3
55.05482	0.4
57.03438	1.9
59.04958	0.2
61.02920	0.9
65.03915	0.2
67.05471	0.4
68.99797	0.3
69.03430	1.6
69.07028	0.3
70.06558	0.2
70.56416	0.3
70.56785	0.7
71.04990	12.5
72.34442	0.2
73.02902	0.5
75.04448	0.6
79.05473	0.4
81.03422	0.9
81.07014	0.7
83.04934	0.9
85.02901	18.4
86.09645	0.2
87.04429	0.6
91.05442	0.6
95.04961	1.1
95.08572	0.8
96.78193	0.2
97.02895	1.9
97.06501	0.3
99.04424	0.4
103.05436	0.3
104.65221	0.2
105.03378	0.3
105.07009	0.4
107.04902	0.3
107.08541	0.2
109.02819	0.5
111.04401	0.6
115.03870	0.2
116.01641	0.7
119.04896	0.4
119.08566	0.4
121.02861	6.3
121.06487	0.3
121.10143	0.2
121.60596	0.2
123.03576	0.4
123.04429	6.3
127.03884	0.9
129.05479	3.8
131.04913	0.4
133.02814	0.4
133.10089	0.2
137.02319	0.4
137.05945	0.7
144.01080	0.3
145.02814	0.5
145.04929	0.6
147.04410	2.6
147.06454	0.7
153.01826	1.3
161.05952	0.5
161.13203	0.6
162.02135	0.7
163.03839	0.5
163.07416	0.2
165.01787	0.9
165.05482	1.3
165.06630	0.3
167.06979	0.5
171.04401	0.3
173.06111	0.2
175.03708	0.6
177.05490	0.5
179.14258	0.4
183.02837	0.4
185.05934	0.3
193.08543	0.3
197.15352	0.2
201.05453	0.3
204.92558	0.2
205.01266	0.2
213.05455	0.7
215.03304	0.7
217.01265	0.5
225.05478	0.3
229.04970	0.3
231.06488	0.4
234.20596	0.2
241.04945	0.6
243.02856	0.3
247.07523	0.3
253.04720	0.5
257.04367	0.8
258.05261	0.4
269.04437	0.6
271.05838	0.4
283.05966	0.4
287.05490	61.5
288.05801	0.9
289.03421	0.7
299.05386	0.3
311.05383	0.5
313.03394	2.5
313.07059	2.5
315.05136	0.2
321.07578	0.3
329.06607	0.5
331.04446	7.7
339.04947	2.7
345.07510	0.4
347.08606	0.2
349.07059	0.7
357.06024	0.3
363.08548	0.6
391.08109	22.7
392.08597	0.8
405.09708	0.8
415.08847	0.2
433.09177	15.8
434.10132	0.2
449.11075	0.3
451.10226	100.0
452.10641	1.9
467.24179	0.6
468.24335	0.6
547.85950	0.2
596.27753	0.6
597.28607	1.0
759.27869	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.3
53.03946	0.9
53.04156	0.2
55.01857	0.5
55.22799	0.1
57.03439	0.8
61.02909	0.5
65.03930	0.3
67.05490	0.1
68.99786	0.5
69.03428	6.0
69.65598	0.1
69.67941	0.8
71.01331	0.3
71.04977	0.6
73.02911	1.7
79.05472	0.3
81.03416	5.0
81.07040	0.2
85.02905	4.9
87.00791	0.2
87.04444	0.4
91.05479	10.6
93.07021	0.1
95.04967	0.8
95.08548	0.2
97.02892	3.9
98.21418	0.2
99.00801	1.9
99.04460	1.2
103.05451	0.2
105.01851	0.3
105.03368	0.3
105.07017	0.2
107.04950	3.9
107.08553	0.2
109.02876	3.4
109.85358	0.1
111.00811	0.7
111.04454	0.1
115.05413	0.2
117.01808	0.4
117.07004	0.1
119.04939	16.9
119.08561	0.4
120.05750	1.1
121.02863	2.8
125.09624	1.7
127.03909	5.5
129.07101	0.1
131.04901	0.5
133.02838	0.3
133.06491	0.2
133.10054	0.2
135.04460	0.2
137.02350	0.5
137.05980	0.5
141.07053	0.2
145.04944	2.4
145.06456	0.6
147.04367	0.9
147.08069	0.2
152.06168	0.3
153.01826	3.3
157.06496	0.6
161.06046	0.3
161.09674	0.2
163.03944	0.2
164.86053	0.1
165.01834	1.4
165.07016	0.4
165.09067	0.2
166.07787	0.2
167.07043	0.5
167.08569	0.9
171.04433	0.2
177.05540	0.3
177.06996	0.6
181.06425	0.2
183.02917	0.7
185.05966	0.5
185.09604	0.2
189.09125	0.2
191.08623	0.2
194.07304	0.2
195.08043	1.2
198.06618	0.2
202.90930	0.2
207.10118	0.2
211.07530	0.2
212.08348	0.6
213.05536	1.2
213.09097	21.1
214.09418	0.2
219.08099	0.4
223.07472	0.3
225.03879	0.2
225.11237	0.4
225.39986	0.1
231.04657	0.2
231.06570	0.6
237.09126	1.3
241.04918	0.9
243.04977	3.3
243.07446	0.2
245.87291	0.1
247.07524	0.5
258.05264	0.8
259.05951	0.5
261.06030	0.5
265.08563	0.9
269.04382	0.3
286.04654	0.2
286.68359	0.1
287.05484	100.0
288.05823	1.9
293.08014	0.5
311.05780	0.2
311.08984	0.8
329.06482	1.2
331.19135	0.3
349.20245	0.8
353.06610	0.2
395.07794	0.1
423.18130	0.2
744.35651	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	759.1757
Annotation	Monepalin B
Peak:m/z	Relative Intensity
53.00286	0.3
53.03930	0.3
55.01868	0.8
60.06055	0.2
61.02930	0.2
63.02373	0.4
65.03937	3.2
67.01864	0.2
67.05508	1.3
68.99785	0.5
69.03422	1.1
70.06564	0.3
70.68459	0.3
70.68836	0.3
73.81884	0.2
79.05497	0.2
81.03408	0.7
83.04976	0.3
84.65955	0.2
85.02898	1.3
89.03906	2.9
91.05462	0.5
91.50445	0.2
93.03403	4.7
95.04950	0.5
97.02885	48.9
98.03226	0.4
103.05453	0.2
105.03431	0.2
105.07047	0.3
107.04951	1.1
109.02893	0.4
110.03645	0.3
111.00803	0.7
111.04427	1.3
115.05451	0.5
117.03377	3.1
117.07043	0.2
119.08539	0.3
121.02859	2.5
123.04412	0.7
125.02345	0.5
127.03925	0.8
128.06219	1.2
129.06999	7.1
131.04913	0.4
131.08496	0.2
135.04408	9.5
137.02338	5.2
137.03391	0.4
139.03876	0.3
139.05414	1.1
141.06958	1.8
145.02843	7.2
145.03990	0.5
145.06451	0.4
147.04382	0.5
147.08049	1.0
148.12320	0.2
149.02341	3.5
149.05952	0.5
153.01819	3.4
153.02979	0.3
153.05382	0.4
155.04929	0.4
157.06483	4.9
159.08009	0.2
160.05220	0.6
161.05943	0.6
163.03896	55.8
164.04236	0.6
165.01834	1.8
166.02657	0.3
167.03407	14.5
167.04875	1.2
167.07051	0.4
169.06474	1.5
173.05998	2.3
174.06754	1.1
175.03914	0.6
175.07542	11.6
177.05528	0.2
181.04993	0.2
183.02895	1.0
183.04390	0.3
185.05962	8.3
187.03830	0.3
187.07527	0.8
195.02858	0.3
195.04449	0.4
200.04674	0.2
201.05446	3.2
203.07022	6.4
209.08151	0.3
213.05447	4.8
215.07091	0.3
219.02943	0.3
219.06435	0.4
229.04933	3.3
231.06514	11.6
232.06903	0.3
241.04892	0.5
247.06035	0.7
257.04428	2.2
259.05975	2.3
274.04733	0.5
277.07062	28.7
278.07288	0.5
285.03970	1.1
295.08105	2.7
303.04971	100.0
304.05325	2.6
307.09683	0.4
315.05017	0.3
339.12210	1.2
345.05994	1.6
359.73322	0.3
435.09143	0.4
442.67606	0.2
465.10324	0.5
587.26892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
54.41933	1.9
55.01867	10.0
55.05273	3.2
55.05513	47.7
57.03442	27.2
57.07072	2.4
61.02917	6.3
67.05506	100.0
69.03415	8.4
69.07070	27.8
70.08981	2.1
70.28830	8.5
71.01337	3.1
71.04980	7.3
71.07381	4.0
73.02903	7.1
73.40739	3.0
78.09503	2.3
79.05496	86.2
81.02981	3.6
81.03419	46.6
81.07060	97.0
83.04991	20.1
83.08619	22.2
85.02895	12.6
85.06537	4.0
86.09716	15.5
91.03952	3.2
91.05478	54.9
93.06472	4.6
93.07044	81.5
93.07629	3.9
95.04978	25.2
95.08604	73.7
97.02887	19.1
97.06537	10.6
97.10183	21.3
98.21514	2.3
98.98485	2.7
99.04440	4.4
99.08099	2.5
105.07041	32.2
107.04961	24.3
107.08597	51.3
109.06506	6.6
109.10172	27.8
111.04464	12.8
111.08072	8.3
117.07040	18.0
119.08576	40.2
121.06509	5.3
121.10141	38.0
123.08073	4.8
123.11687	7.2
124.99986	9.1
125.06031	3.3
125.09643	13.9
127.03929	3.7
128.06215	2.6
129.05525	2.7
129.07002	12.2
131.08566	25.8
133.10121	20.9
135.08040	6.1
135.11684	37.4
137.13258	3.3
143.08560	6.8
145.10130	32.6
147.08069	4.4
147.11696	20.6
149.09618	5.9
149.13246	12.1
153.12747	23.4
155.08537	4.1
157.10123	5.9
159.11734	13.5
161.13242	10.4
163.11200	46.1
163.14832	5.5
165.12729	2.7
169.10210	2.7
171.11737	6.7
173.09605	8.9
173.11794	4.8
173.13246	7.4
175.11163	4.4
181.12213	16.2
184.07358	54.2
185.07695	2.3
185.13298	3.8
187.14803	4.7
189.11215	3.8
191.10667	7.1
193.12173	10.5
199.13298	14.1
209.11720	13.0
217.14261	2.6
227.12770	47.1
229.14394	6.8
241.19458	5.1
259.20547	8.8
261.22055	9.3
265.14230	4.7
267.15927	27.4
277.21710	5.0
283.15411	34.6
284.15631	2.1
299.23700	3.3
301.16422	4.3
306.95447	2.4
315.23251	2.6
327.23044	3.1
333.24124	3.1
335.25827	76.7
336.26102	3.1
346.15857	2.4
351.25302	5.3
377.01523	2.2
421.25790	2.1
430.78284	2.7
469.32727	2.9
489.35825	4.1
525.35199	2.8
528.37726	2.5
543.36810	18.5
561.37720	6.6
630.25671	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
54.41933	1.9
55.01867	10.0
55.05273	3.2
55.05513	47.7
57.03442	27.2
57.07072	2.4
61.02917	6.3
67.05506	100.0
69.03415	8.4
69.07070	27.8
70.08981	2.1
70.28830	8.5
71.01337	3.1
71.04980	7.3
71.07381	4.0
73.02903	7.1
73.40739	3.0
78.09503	2.3
79.05496	86.2
81.02981	3.6
81.03419	46.6
81.07060	97.0
83.04991	20.1
83.08619	22.2
85.02895	12.6
85.06537	4.0
86.09716	15.5
91.03952	3.2
91.05478	54.9
93.06472	4.6
93.07044	81.5
93.07629	3.9
95.04978	25.2
95.08604	73.7
97.02887	19.1
97.06537	10.6
97.10183	21.3
98.21514	2.3
98.98485	2.7
99.04440	4.4
99.08099	2.5
105.07041	32.2
107.04961	24.3
107.08597	51.3
109.06506	6.6
109.10172	27.8
111.04464	12.8
111.08072	8.3
117.07040	18.0
119.08576	40.2
121.06509	5.3
121.10141	38.0
123.08073	4.8
123.11687	7.2
124.99986	9.1
125.06031	3.3
125.09643	13.9
127.03929	3.7
128.06215	2.6
129.05525	2.7
129.07002	12.2
131.08566	25.8
133.10121	20.9
135.08040	6.1
135.11684	37.4
137.13258	3.3
143.08560	6.8
145.10130	32.6
147.08069	4.4
147.11696	20.6
149.09618	5.9
149.13246	12.1
153.12747	23.4
155.08537	4.1
157.10123	5.9
159.11734	13.5
161.13242	10.4
163.11200	46.1
163.14832	5.5
165.12729	2.7
169.10210	2.7
171.11737	6.7
173.09605	8.9
173.11794	4.8
173.13246	7.4
175.11163	4.4
181.12213	16.2
184.07358	54.2
185.07695	2.3
185.13298	3.8
187.14803	4.7
189.11215	3.8
191.10667	7.1
193.12173	10.5
199.13298	14.1
209.11720	13.0
217.14261	2.6
227.12770	47.1
229.14394	6.8
241.19458	5.1
259.20547	8.8
261.22055	9.3
265.14230	4.7
267.15927	27.4
277.21710	5.0
283.15411	34.6
284.15631	2.1
299.23700	3.3
301.16422	4.3
306.95447	2.4
315.23251	2.6
327.23044	3.1
333.24124	3.1
335.25827	76.7
336.26102	3.1
346.15857	2.4
351.25302	5.3
377.01523	2.2
421.25790	2.1
430.78284	2.7
469.32727	2.9
489.35825	4.1
525.35199	2.8
528.37726	2.5
543.36810	18.5
561.37720	6.6
630.25671	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	757.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.05510	1.0
57.07074	4.5
65.03936	0.5
67.05503	7.9
69.07065	9.1
69.63169	0.4
69.63567	1.3
70.06597	0.4
71.08615	1.1
79.05491	5.0
81.07053	100.0
82.07381	1.4
83.08604	0.3
85.02902	0.2
91.05466	0.4
93.07056	1.6
95.04990	0.3
95.08603	46.9
96.08950	0.7
98.98460	4.3
107.04971	0.3
107.08595	0.5
109.10151	2.6
109.42677	0.2
112.65435	0.2
117.03427	0.2
121.10160	0.3
128.06181	0.3
129.07022	1.3
131.08559	1.6
133.10222	0.2
135.04428	0.4
135.11716	0.7
137.06096	0.2
137.13249	69.0
138.13585	1.5
139.09792	0.2
141.06969	1.0
143.08519	0.3
145.06476	0.2
157.06491	1.6
158.07210	0.5
159.08060	1.6
160.05197	0.2
161.92874	0.2
163.03870	1.4
163.07587	0.3
169.06485	0.9
170.07310	0.3
171.08061	0.2
172.95258	0.5
174.06749	3.2
175.07555	0.8
186.06752	0.8
188.08345	0.2
188.92456	1.2
189.09087	7.0
190.09517	0.2
190.96326	0.3
191.10757	0.6
201.09116	2.8
203.10690	0.4
207.10190	0.2
207.95790	0.3
219.10153	36.8
220.10603	1.0
221.02628	0.2
235.10936	14.1
237.11189	1.3
250.88013	1.1
267.89575	0.5
268.89087	8.2
286.90149	0.6
287.01404	0.3
288.03094	0.4
289.02866	4.9
290.03207	0.3
291.90625	0.7
307.03940	0.8
317.06378	0.3
387.00574	4.3
522.13049	0.4
523.13092	8.0
524.13464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01870	0.6
55.05265	0.3
55.05498	1.2
57.03450	0.3
65.41268	0.3
67.01859	0.7
67.05505	2.3
68.99764	0.3
69.03428	4.0
69.07071	1.7
69.85281	1.1
69.85690	0.5
71.01332	0.3
71.04987	0.8
72.01122	0.2
77.03908	1.2
79.05495	2.5
81.03418	6.1
81.07053	3.3
83.04984	0.4
83.08627	0.4
85.02901	2.4
86.09682	0.5
87.00854	0.7
89.03910	1.3
91.05490	3.6
93.07040	2.3
95.04970	1.1
95.08614	4.6
97.02895	4.6
97.10188	0.4
99.04474	1.9
103.05471	1.2
105.01836	0.6
105.03393	2.3
105.07028	7.6
107.04951	1.9
107.08597	2.6
109.02877	8.2
109.10156	4.2
111.04477	0.3
115.05457	0.4
115.88185	0.3
117.03377	1.4
117.07019	0.5
119.04943	0.4
119.08582	8.3
121.09428	0.2
121.10135	1.8
123.04404	1.4
123.08070	0.9
123.11705	1.4
124.99986	0.3
127.03915	100.0
128.04254	0.8
129.06947	0.5
131.04933	1.1
131.08549	1.0
133.02846	8.9
133.06526	0.4
133.10130	3.5
135.04407	5.0
135.11685	0.8
137.05939	0.4
143.04904	0.4
143.08571	0.5
145.02850	3.6
145.04916	0.3
145.06476	0.4
145.10106	1.0
147.04385	1.2
147.08040	0.6
147.11685	9.1
149.05986	0.7
149.13226	0.4
153.07034	0.3
157.06436	0.4
157.10118	0.5
159.04439	0.5
159.07944	0.3
159.11703	0.5
161.02373	0.6
161.05980	0.7
161.13255	1.3
163.03908	34.8
163.14810	0.4
164.04218	0.6
165.06955	0.3
165.81186	0.2
169.06474	0.4
173.05991	1.6
173.09584	0.3
173.13246	0.3
175.03891	0.9
175.14789	0.6
177.05492	0.6
177.16339	0.9
179.03395	1.2
179.08539	0.3
181.04941	1.1
181.06377	0.5
183.07997	0.5
184.07332	1.7
187.07520	0.5
187.14807	0.3
189.05455	0.7
189.16386	0.8
192.09319	0.4
193.04924	0.7
193.10110	0.4
199.07549	1.1
199.14966	0.3
201.05411	0.3
201.16412	1.0
203.16066	0.3
203.17952	6.3
205.15930	0.4
207.11649	0.4
207.17416	0.9
211.07483	0.6
213.03886	0.6
213.09158	0.8
217.04869	0.3
217.15587	0.3
221.09645	0.3
223.07607	0.3
225.09116	0.4
225.12813	0.5
231.04785	0.4
231.06699	0.5
235.11098	0.5
237.09126	0.3
239.10648	0.8
241.08530	0.4
241.12134	0.3
253.12183	0.6
263.14609	0.3
267.13678	0.6
271.13159	0.5
277.06998	0.8
305.06540	1.6
305.18863	0.5
307.08029	0.6
319.20508	0.3
321.18408	1.3
323.19965	1.9
328.25208	0.3
337.21530	1.6
347.20041	0.4
363.06897	0.4
365.21130	1.9
391.06393	0.4
393.08069	0.5
409.07620	2.8
411.09210	11.6
412.09473	0.4
585.26837	0.5
613.26337	3.0
631.27332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01864	2.6
55.05261	1.3
55.05511	17.0
57.03439	18.8
57.07068	2.3
59.04996	0.8
61.02926	1.6
65.03929	1.7
67.05506	62.2
69.03449	4.4
69.07066	15.2
69.43202	0.7
70.61242	2.1
70.61660	1.4
71.05001	4.4
73.02913	0.9
77.32554	0.7
79.05496	41.2
80.05799	1.0
80.67043	0.7
81.03420	75.0
81.07059	62.3
83.04987	5.4
83.08620	21.2
83.46768	0.7
85.02903	2.2
85.06530	1.6
86.09711	0.9
86.12020	0.8
91.03943	1.2
91.05482	29.6
93.07048	44.3
95.04972	26.7
95.08609	42.9
95.09097	0.8
95.09232	1.5
97.02877	3.3
97.06542	3.8
97.10153	6.5
99.08091	1.8
105.07029	27.8
107.04959	6.6
107.08605	25.5
107.48304	0.7
109.06505	5.3
109.10155	22.3
111.04440	1.3
111.08089	6.4
111.11674	0.8
113.09665	1.0
115.05507	1.2
117.07009	8.0
117.92509	0.7
119.08585	25.5
121.06511	4.1
121.10146	23.2
123.04408	1.6
123.08056	3.7
123.11716	8.8
124.18343	0.7
125.09624	3.4
129.06998	9.9
131.08571	16.8
133.06482	2.3
133.10139	18.6
135.08064	1.5
135.11691	12.4
137.09615	2.4
137.13249	2.1
139.11055	0.8
139.73138	0.7
142.07765	2.2
143.08549	2.6
145.06554	1.0
145.10114	8.5
147.04434	1.0
147.08032	3.4
147.11674	12.8
149.09596	4.5
149.13269	9.1
151.11192	2.7
155.08546	1.2
157.10155	10.5
159.11703	7.0
161.09619	2.8
161.13255	5.5
163.11182	2.4
163.14812	3.5
165.12708	1.0
169.10083	1.1
171.11638	1.9
173.13255	6.0
175.11205	8.6
175.14847	3.2
177.12799	0.9
184.07304	4.4
185.13298	0.9
187.14828	3.0
189.11243	4.1
189.12703	0.8
193.12259	19.9
197.13321	1.0
211.13339	2.2
219.13599	1.0
219.17296	0.9
227.12781	5.6
233.22615	1.0
243.21091	6.0
249.14857	2.5
259.20691	0.8
261.22165	20.0
267.15924	95.5
268.16214	2.5
273.14893	1.2
279.23264	2.4
285.22037	1.4
299.14941	9.2
299.18420	1.0
299.23642	1.2
301.14542	1.0
301.25262	6.9
309.16907	2.2
317.21512	0.8
317.24841	3.4
335.25812	100.0
336.26190	3.1
359.25479	1.1
361.23911	1.0
403.24863	1.1
407.24103	1.0
417.31305	1.2
421.25864	2.2
435.27316	2.3
435.32697	4.4
453.33646	7.0
471.34573	4.7
509.36459	1.4
527.37341	65.0
528.37592	2.9
545.38403	46.7
546.38623	1.3
559.36829	2.5
569.38281	3.4
569.46454	0.8
582.00311	0.8
619.17352	0.8
623.39093	1.0
635.38666	1.4
653.40546	1.5
732.71454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	2.0
53.03919	2.0
55.01872	2.6
55.05510	13.0
57.03436	10.0
57.07047	1.5
59.04135	0.5
59.04966	2.0
61.02920	3.0
65.03915	1.6
67.05502	31.5
69.03400	1.4
69.07065	8.2
70.86940	1.0
70.87312	0.9
71.01360	0.5
71.04979	1.0
73.02885	1.6
75.57078	0.4
77.66786	0.4
79.05487	20.4
80.91848	0.5
81.03410	2.9
81.07055	35.1
83.04981	2.5
83.08612	10.0
84.84476	0.5
85.02903	2.8
85.06496	1.9
91.03926	1.0
91.05480	21.5
93.07043	28.1
95.04975	4.9
95.08603	23.0
95.09229	0.8
96.08941	0.5
97.02911	4.1
97.06529	3.8
97.10137	2.2
99.00815	12.3
99.04438	1.1
99.08054	0.8
103.05432	0.7
105.07025	16.7
107.04932	4.5
107.08590	19.3
109.02876	7.8
109.06512	2.5
109.09464	0.9
109.10152	13.0
111.04462	0.7
111.08074	2.7
115.03876	1.8
117.07016	3.5
119.07794	0.9
119.08578	11.4
119.77052	0.5
121.06508	5.6
121.09332	0.6
121.10139	10.9
123.04399	1.2
123.08005	1.3
123.11702	5.3
125.09527	0.7
127.03909	3.1
128.06190	1.0
129.06976	0.9
131.08560	6.4
131.65204	0.5
133.06456	1.1
133.10123	30.4
135.07983	0.9
135.11693	7.7
137.05952	1.3
137.09589	1.9
137.13239	1.3
139.07513	2.0
141.05429	0.6
143.08566	3.7
145.06468	0.6
145.10110	4.8
147.07965	0.8
147.11714	3.1
149.09575	0.7
149.13249	4.4
151.11192	9.2
153.12723	0.6
157.06306	0.5
157.10060	0.6
159.11688	2.8
161.09618	14.8
161.13200	3.3
163.11235	0.7
163.14815	2.8
164.62517	0.5
165.09164	0.6
169.12254	0.5
171.08043	3.2
171.11700	0.5
173.13243	3.4
177.16313	0.7
179.10667	7.5
184.07333	1.5
187.14821	1.7
189.09109	6.8
189.12695	0.5
197.11749	2.9
207.10114	3.9
225.11189	10.2
227.12790	1.1
243.12254	3.7
243.21066	5.1
244.82455	0.5
261.22125	15.3
277.21622	1.2
279.23172	0.6
281.13800	3.1
287.23651	0.5
299.14880	100.0
300.15082	2.5
315.23209	2.6
317.24673	2.4
335.25787	81.2
336.26105	1.8
346.84930	0.5
421.31287	0.9
424.80368	0.6
439.32327	0.7
449.30673	1.8
457.33066	0.7
467.31540	3.9
485.32370	2.9
513.35583	1.8
515.37378	1.2
531.36517	2.5
541.35114	7.6
559.36273	34.0
560.36438	2.0
568.80627	0.6
577.37427	3.1
578.87158	0.5
785.92645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	2.3
53.03936	2.3
55.01868	3.0
55.05513	19.2
56.19885	0.4
57.03438	11.9
57.07063	2.3
58.80416	0.5
59.04983	2.0
60.08152	1.0
61.02926	4.6
65.03938	2.4
67.05505	47.1
69.03432	3.1
69.06716	0.8
69.07069	11.6
69.36411	0.9
69.36814	4.9
71.01330	1.8
71.04980	1.7
71.07381	0.9
71.08636	1.0
73.02907	1.8
77.03921	0.6
79.05492	30.2
81.03428	4.2
81.07058	50.8
82.07366	0.5
83.04987	3.6
83.08145	0.9
83.08621	14.7
83.31298	0.5
85.02899	5.0
85.06522	2.2
86.09705	6.7
88.39111	0.5
91.03948	1.6
91.05481	31.0
93.07044	44.4
94.07334	0.8
95.04967	6.6
95.08607	33.0
97.02883	6.3
97.06532	4.4
97.10175	3.8
98.21446	1.1
99.00819	16.4
99.04441	0.6
99.08060	1.0
101.34529	0.6
103.05444	1.3
105.04498	0.5
105.07033	25.3
106.07321	0.8
107.04960	4.7
107.08595	24.7
109.02874	8.8
109.06519	3.9
109.10155	17.8
111.04424	1.5
111.08082	4.2
113.05991	0.7
115.03928	2.3
115.05453	1.0
117.07030	6.8
119.08585	16.5
121.02837	0.6
121.06503	6.3
121.10143	17.1
123.04414	0.9
123.08074	1.8
123.11723	6.5
124.99993	4.6
125.09596	0.6
127.03926	3.1
128.06207	1.9
129.06982	2.3
131.08566	10.8
133.06456	1.6
133.10130	39.9
134.10490	0.6
135.08037	1.6
135.11691	12.0
137.05957	1.6
137.09630	2.2
137.13235	1.8
139.07565	3.3
139.11156	0.6
143.08553	6.0
145.06451	1.3
145.10139	6.6
146.07246	0.6
147.08026	1.1
147.11700	4.8
149.09608	1.7
149.13242	5.4
151.11186	10.1
153.12666	0.5
157.10037	0.7
159.11684	5.2
161.09612	18.5
161.13251	4.2
163.11154	1.7
163.14793	2.9
165.09184	1.0
167.10718	0.6
169.10179	0.5
169.12213	0.7
171.08046	4.0
171.11615	1.2
173.09673	0.7
173.13283	3.6
175.11227	0.5
175.14833	1.9
177.12692	0.5
177.16397	1.1
179.10680	9.3
183.11647	0.7
184.07341	25.0
185.13240	0.9
187.14871	2.6
189.09097	9.7
189.11035	0.7
191.10651	0.6
197.11740	2.5
207.10201	3.4
215.12711	0.6
215.17847	0.6
225.09064	0.6
225.11235	12.8
227.12740	1.2
233.22548	0.9
243.12311	3.6
243.21078	5.1
259.20575	0.8
261.22153	20.5
271.20563	0.9
277.21695	1.8
281.13818	4.6
283.15259	0.7
287.23724	0.6
299.14902	90.0
300.15305	1.8
315.23288	2.6
317.21558	0.5
317.24744	3.1
333.24075	1.1
335.25803	100.0
336.26163	2.6
421.30856	0.8
431.29059	0.6
439.32150	1.2
449.30728	2.5
457.32919	0.6
467.31680	5.0
485.32645	3.7
513.35614	2.3
515.37085	0.7
523.34302	1.5
531.36829	2.7
541.35291	14.9
542.35718	0.8
559.36310	57.8
560.36749	3.3
577.37299	1.8
756.55145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.96548	0.1
57.07084	0.6
63.02106	0.1
63.02399	0.4
67.05501	1.0
69.07065	1.1
70.06590	0.3
71.59193	0.1
71.59553	0.1
73.85509	0.1
77.03912	0.1
79.05491	1.5
81.07058	9.4
83.04967	0.1
84.08133	0.1
86.09682	0.2
89.03914	4.8
90.04293	0.2
91.05499	0.2
93.07065	0.3
95.04960	0.6
95.08605	4.7
98.98464	0.4
107.04961	1.8
109.02924	0.1
109.10153	0.3
111.04440	0.2
117.03377	6.1
118.03613	0.1
120.08088	0.2
135.04411	17.0
136.04741	0.3
137.13251	4.8
138.13649	0.1
144.12549	0.1
145.02841	10.9
158.06023	0.2
163.03900	100.0
164.04211	1.5
172.95193	0.2
181.04965	0.4
186.05461	0.5
190.96355	0.2
202.58392	0.1
235.11078	0.5
291.06683	0.4
309.07639	0.1
310.29568	0.1
319.08093	1.5
337.09250	1.4
355.10065	0.2
376.00977	0.3
376.35303	0.1
391.03323	0.8
394.02115	0.2
409.04279	0.4
499.12338	7.7
500.12766	0.3
578.19666	0.1
589.10852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90934	0.5
71.60500	1.0
72.54552	0.5
76.14115	0.6
78.27386	0.4
94.93017	2.6
135.49275	0.6
136.93991	0.6
138.70271	0.5
156.04262	1.4
212.85233	1.1
232.90215	0.6
248.89665	3.0
250.97078	2.6
268.98135	2.8
373.02344	0.5
410.98730	1.5
415.02115	2.0
543.13416	0.7
561.05579	1.4
579.06592	8.3
707.11499	2.2
735.10858	10.2
753.11938	100.0
754.11987	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	756.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	2.6
55.05459	11.7
57.03386	7.4
58.12714	0.6
61.02893	0.7
67.05502	15.4
69.03375	2.9
69.07002	3.2
69.97633	1.1
69.98057	2.8
71.04996	3.2
78.67976	0.7
79.05489	14.6
81.03415	39.3
81.07056	14.9
83.04977	4.0
83.08616	13.4
83.13565	0.7
85.02843	1.3
85.06495	1.4
86.09660	0.6
91.05479	14.6
91.84509	0.7
93.07040	12.5
95.04966	15.8
95.08612	7.4
97.02820	2.1
97.06469	2.9
97.10162	11.8
105.07030	10.4
107.04942	11.2
107.08588	10.3
109.06521	6.7
109.10159	5.5
111.04372	2.3
111.08067	3.8
115.05435	1.1
117.07025	4.4
119.04887	0.9
119.08574	8.3
121.06517	7.9
121.10147	6.9
123.04392	1.3
123.08073	3.4
123.11627	0.8
125.05908	1.4
125.09639	10.7
127.03856	1.1
129.07018	6.2
131.04869	1.5
131.08559	8.7
133.06493	3.9
133.10133	5.4
135.08058	4.3
135.11613	2.1
137.05898	1.4
137.09526	1.9
141.06963	0.9
142.07733	1.7
143.08469	2.2
145.06488	5.9
145.10115	3.2
147.04370	1.5
147.08054	4.7
147.11676	5.6
149.05995	0.7
149.09627	3.8
150.97757	0.6
153.09056	3.1
153.12613	1.3
155.08513	1.4
157.06496	0.9
157.10130	7.6
159.07973	2.1
159.11612	1.8
161.05942	1.2
161.09584	1.5
161.13193	1.0
163.11168	3.1
165.08992	2.1
167.07008	1.0
167.10646	1.2
169.09993	1.5
171.08020	1.9
171.11607	1.4
173.09561	1.6
173.13187	1.3
175.11183	5.6
177.12668	1.3
181.10095	0.7
184.07352	1.1
185.09543	1.3
185.13158	1.3
187.11119	1.5
187.14728	2.1
189.09059	0.8
189.11130	6.2
189.12706	1.4
191.10576	0.8
191.14229	1.0
193.12247	12.9
195.11688	1.5
197.13077	1.0
199.11153	1.8
199.13013	0.9
199.14766	0.8
205.12144	1.8
211.13167	1.0
211.27916	0.7
213.12679	1.8
215.14261	2.6
219.11662	0.8
219.13759	2.6
223.13226	1.2
227.12717	3.1
233.15326	4.1
237.12738	1.4
239.14294	0.8
241.14365	0.7
245.15303	1.0
249.14919	1.6
255.13808	2.3
257.15302	0.8
259.13110	1.7
266.65176	0.8
267.15912	34.6
271.16864	1.0
273.14734	5.4
275.16315	0.8
287.16434	1.2
291.15872	0.9
331.20428	1.0
339.23203	2.0
349.21652	4.8
357.24292	1.9
367.22687	13.9
385.23761	19.7
403.24786	7.5
405.24084	0.8
423.25464	1.0
441.26331	8.8
459.27411	98.7
460.27490	3.5
477.28473	100.0
478.28830	2.1
491.30112	12.6
501.28775	1.5
509.31107	4.2
541.33728	1.5
543.29315	1.1
567.29626	2.7
682.63306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.01875	0.3
57.03434	0.3
63.02382	0.1
67.05484	0.1
68.99791	0.1
69.03425	2.2
70.06586	0.2
71.01359	0.3
71.04993	0.3
71.11585	0.2
71.11944	0.1
73.02920	0.1
77.03912	0.1
78.04710	0.2
79.05505	0.4
81.03416	1.2
81.07056	0.2
83.01321	0.1
85.02901	1.5
86.09711	0.2
89.03907	1.0
91.05468	0.3
93.03408	0.1
93.07050	0.3
95.04961	0.1
95.08604	0.2
97.02890	5.6
99.04450	0.4
100.41039	0.1
101.02381	0.3
103.05474	0.1
103.06112	0.1
105.03397	0.3
105.06998	0.1
106.04170	0.2
107.04961	0.6
107.08573	0.2
109.02878	1.1
109.06555	0.1
109.10167	0.1
117.03380	1.2
119.08543	0.2
121.02875	0.1
121.06570	0.1
121.10131	0.2
123.04488	0.1
127.03912	100.0
128.04256	0.6
131.04933	0.1
133.02864	0.6
134.03630	4.3
135.04419	3.4
135.11720	0.1
137.02318	0.5
137.05965	0.3
145.02838	2.6
145.04880	0.1
147.04387	0.2
149.05968	0.1
153.01820	3.0
161.05974	0.2
162.03113	1.5
163.03900	30.4
164.04251	0.3
167.07011	0.2
177.05519	0.2
179.03407	0.3
180.04149	0.7
181.04993	0.4
186.05513	0.1
189.05505	0.1
191.03394	3.7
199.03801	0.1
203.03467	0.1
209.08168	0.1
217.05005	0.2
227.03357	0.3
228.04173	0.1
245.04530	0.5
255.02899	0.3
256.03513	0.1
257.04337	0.1
273.03928	9.6
274.04608	0.3
285.03867	0.3
299.05411	0.2
301.03409	2.1
302.04224	2.0
303.05017	2.1
306.07449	0.2
307.08185	0.6
324.08496	0.5
325.09158	6.2
335.07541	0.3
386.52182	0.1
445.05646	0.2
463.06631	2.9
481.07913	0.1
607.10382	0.4
625.11835	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	751.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.1
53.03933	0.4
55.01867	0.3
55.05489	0.1
57.03425	0.3
57.90889	0.1
62.25144	0.1
63.02365	0.1
65.87495	0.1
67.05507	0.2
68.07887	0.1
68.99802	0.3
69.03420	2.1
69.07057	0.2
70.06579	0.1
71.01348	0.3
71.04987	0.3
71.59586	0.1
73.02891	0.1
73.65251	0.1
77.03918	0.5
79.05492	0.2
80.01019	0.1
81.03407	1.4
81.07055	1.3
82.07402	0.1
83.01312	0.1
83.57682	0.1
85.02897	1.5
86.09703	0.2
86.34267	0.1
87.04495	0.1
89.03907	0.7
91.05471	0.2
93.07045	0.3
95.04961	0.3
95.08602	0.5
97.02886	5.2
97.06509	0.1
98.97562	0.1
99.04461	0.5
101.02364	0.2
105.03372	1.0
105.07027	0.2
105.07831	0.1
106.04183	0.1
107.04959	0.4
107.08593	0.2
109.02868	1.2
109.10131	0.1
116.98673	0.1
117.03394	1.1
119.04946	0.1
119.08589	0.1
121.10117	0.1
123.04435	0.3
127.03909	100.0
128.04251	0.7
131.04913	0.1
133.02840	4.0
134.03616	1.1
135.04405	2.4
137.02310	0.6
137.05960	0.2
145.02843	2.0
145.04813	0.1
145.10204	0.1
147.04381	0.2
151.03864	0.2
153.01816	3.5
155.39452	0.1
161.02336	0.2
161.05943	0.1
162.03094	0.3
163.03894	22.7
164.04260	0.2
175.03914	0.1
177.05484	0.3
179.03372	0.3
179.07053	0.1
180.04198	0.2
181.04964	0.2
189.05469	0.2
191.03387	5.0
203.03375	0.1
217.04970	0.2
227.03365	0.4
228.04173	0.1
229.04901	0.2
235.06168	0.1
245.04500	0.5
255.02922	0.4
257.04364	0.2
265.05054	0.1
273.03912	14.1
274.04486	0.3
277.07123	0.2
285.03940	0.3
299.05402	0.2
301.03403	4.2
302.04169	1.6
303.04980	3.1
305.06464	0.2
307.08044	0.1
323.07516	0.5
325.09207	0.9
335.07602	0.5
437.16608	0.1
441.21838	0.1
445.05661	0.2
463.06610	3.6
463.13275	0.2
607.10797	0.6
625.11847	8.0
626.11871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01866	0.3
55.05519	0.1
63.02370	0.3
67.05499	0.4
68.99799	0.5
69.03429	2.6
70.06590	0.4
71.04999	0.2
71.58234	0.3
72.08136	0.2
74.09668	0.2
77.03928	0.8
79.05479	0.7
81.03417	3.3
81.07050	0.5
83.08627	0.1
85.02915	1.2
86.09685	0.2
89.03913	4.1
91.05486	0.5
93.07056	0.4
95.04963	0.4
95.08592	0.4
97.02897	1.0
99.04433	0.4
105.03387	1.1
105.07021	0.3
107.04956	1.6
107.08607	0.3
109.02876	2.1
109.10150	0.2
117.03370	4.5
119.04962	0.2
119.08563	0.3
119.30906	0.2
123.04464	0.4
127.03916	43.2
128.04242	0.2
131.04883	0.2
133.02863	2.6
133.10074	0.3
134.03642	0.5
135.04416	12.0
137.02303	1.2
137.06010	0.2
143.08559	0.2
145.02849	9.4
147.04396	0.4
153.01822	2.1
161.05988	0.3
163.03902	100.0
164.04272	1.1
165.01929	0.2
167.07045	0.2
171.04381	0.2
175.03833	0.3
177.05513	0.6
179.03305	0.2
186.05496	0.6
189.05495	0.5
191.03416	2.6
195.09563	0.2
197.70064	0.1
199.03946	0.4
203.03403	0.5
217.04958	0.8
227.03351	1.7
228.04248	0.3
245.04448	2.5
255.02975	1.4
256.03650	0.2
257.04260	0.2
273.03931	54.6
274.04462	0.8
277.07047	1.2
285.03854	0.3
301.03436	18.8
302.04160	4.7
303.04993	5.1
305.06561	0.5
306.07205	0.2
307.08041	1.6
325.09409	0.2
355.17694	0.2
418.84097	0.1
463.06613	10.5
464.06580	0.2
607.10901	2.7
625.11896	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01866	0.3
55.05519	0.1
63.02370	0.3
67.05499	0.4
68.99799	0.5
69.03429	2.6
70.06590	0.4
71.04999	0.2
71.58234	0.3
72.08136	0.2
74.09668	0.2
77.03928	0.8
79.05479	0.7
81.03417	3.3
81.07050	0.5
83.08627	0.1
85.02915	1.2
86.09685	0.2
89.03913	4.1
91.05486	0.5
93.07056	0.4
95.04963	0.4
95.08592	0.4
97.02897	1.0
99.04433	0.4
105.03387	1.1
105.07021	0.3
107.04956	1.6
107.08607	0.3
109.02876	2.1
109.10150	0.2
117.03370	4.5
119.04962	0.2
119.08563	0.3
119.30906	0.2
123.04464	0.4
127.03916	43.2
128.04242	0.2
131.04883	0.2
133.02863	2.6
133.10074	0.3
134.03642	0.5
135.04416	12.0
137.02303	1.2
137.06010	0.2
143.08559	0.2
145.02849	9.4
147.04396	0.4
153.01822	2.1
161.05988	0.3
163.03902	100.0
164.04272	1.1
165.01929	0.2
167.07045	0.2
171.04381	0.2
175.03833	0.3
177.05513	0.6
179.03305	0.2
186.05496	0.6
189.05495	0.5
191.03416	2.6
195.09563	0.2
197.70064	0.1
199.03946	0.4
203.03403	0.5
217.04958	0.8
227.03351	1.7
228.04248	0.3
245.04448	2.5
255.02975	1.4
256.03650	0.2
257.04260	0.2
273.03931	54.6
274.04462	0.8
277.07047	1.2
285.03854	0.3
301.03436	18.8
302.04160	4.7
303.04993	5.1
305.06561	0.5
306.07205	0.2
307.08041	1.6
325.09409	0.2
355.17694	0.2
418.84097	0.1
463.06613	10.5
464.06580	0.2
607.10901	2.7
625.11896	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45735	0.5
56.96554	2.4
63.97713	0.4
66.22223	0.4
69.42369	3.2
69.42776	0.8
72.08176	0.5
75.05610	0.5
81.03403	0.7
81.62015	0.4
84.96031	0.6
98.97584	5.1
109.02900	2.0
116.98631	5.4
119.04948	1.4
127.03900	2.4
134.33408	0.4
134.99675	3.8
143.00168	1.0
147.04428	4.8
149.01285	0.5
158.99667	1.4
161.01256	3.1
163.03879	0.6
164.98515	5.2
177.00710	2.9
179.02200	0.9
182.99663	22.7
185.01311	0.5
185.02965	0.7
189.28084	0.5
200.02400	0.4
201.00717	100.0
202.01137	1.3
203.02332	0.6
206.01248	1.7
219.01778	27.1
224.02327	5.7
225.00722	2.3
226.03801	0.8
237.02824	1.4
239.02240	1.6
242.03415	1.8
243.01816	4.1
249.00734	1.2
251.02228	0.8
255.01697	0.9
257.03375	2.1
261.02869	1.9
266.03476	0.7
267.01651	2.7
269.03400	2.5
279.01770	1.3
285.02878	1.7
293.48315	0.5
297.02756	1.1
309.02716	3.4
327.03888	17.5
329.03290	0.7
341.07471	0.5
345.04926	15.2
351.03885	20.7
357.04837	1.3
359.08957	0.7
368.06519	1.6
369.04947	22.6
375.06027	0.6
377.10388	0.8
387.06027	6.4
392.06653	0.6
395.11340	0.8
410.07620	1.8
413.03900	8.2
431.05164	1.5
485.07367	2.8
503.08728	7.9
521.09741	1.0
527.08301	1.2
665.13892	0.6
707.14545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01872	1.7
55.05510	7.7
57.03439	2.0
57.07075	2.7
61.02923	2.4
61.63521	0.6
65.03922	0.9
67.05505	13.4
69.03433	8.8
69.07069	8.0
71.04997	1.4
71.92657	0.6
73.02921	1.9
79.05488	7.1
81.03421	5.9
81.07059	18.2
83.04979	0.7
83.08627	5.4
85.02910	24.8
85.06533	1.0
86.09736	0.7
87.00831	7.1
87.04501	0.7
91.05477	7.6
93.07047	17.7
95.04973	6.9
95.08607	89.6
96.08971	1.0
97.02886	7.3
97.06538	2.6
97.10168	2.6
99.04469	2.3
105.01870	19.3
105.07039	13.1
107.04942	1.0
107.08598	33.2
109.02895	7.7
109.06549	1.8
109.10155	32.9
111.04430	1.1
111.08111	1.7
115.03954	0.8
115.07567	1.0
117.07021	1.9
119.04945	0.8
119.08583	28.9
121.06520	1.4
121.10147	26.6
123.08069	2.0
123.11707	10.8
125.06009	4.6
125.09612	1.5
127.03919	15.4
129.01851	1.1
131.04871	0.7
131.08574	6.0
133.10129	22.4
135.08060	1.4
135.11694	33.7
137.05980	2.1
137.09595	0.9
137.13252	4.2
139.07574	2.6
143.08554	1.6
144.09349	0.8
145.04990	5.1
145.06537	1.0
145.10130	13.4
147.02963	1.2
147.04387	1.3
147.08006	1.0
147.11694	18.2
147.12753	0.6
149.06007	1.0
149.13251	11.4
151.07497	1.2
151.14812	0.7
155.08575	0.8
155.10608	0.8
156.09323	0.8
157.10172	3.0
158.10832	1.1
159.02934	1.1
159.11687	15.3
161.09634	1.6
161.13246	17.8
162.07648	0.9
162.13638	0.9
163.07524	1.0
163.11195	2.9
163.14838	7.3
165.09096	0.9
169.10124	1.9
171.11699	3.8
173.13258	16.0
173.14679	1.1
175.11191	1.8
175.14821	8.2
177.05403	0.8
177.12799	1.5
177.16432	1.1
179.10698	1.3
180.08679	2.6
181.12206	4.6
183.11684	1.4
185.13289	2.8
187.11238	1.0
187.14815	12.3
189.03984	0.8
189.12794	2.3
189.16391	10.8
191.10599	0.8
191.17981	2.8
193.12207	2.0
197.13275	2.5
199.14883	1.8
201.12729	1.0
201.16396	9.6
203.14188	1.2
203.17957	36.4
204.18336	1.4
205.15871	0.9
207.13821	5.4
211.14848	3.4
213.03900	2.0
213.16383	1.4
215.14275	1.6
215.17955	3.0
219.13788	2.3
221.15349	4.0
225.16371	1.4
227.17990	1.7
229.15897	2.2
229.19502	1.9
231.05038	5.3
233.15411	6.3
241.19487	1.0
243.17497	1.2
243.21126	5.4
247.16997	2.4
249.06021	4.8
255.21054	0.9
257.04239	1.1
257.22632	39.2
258.23090	2.2
259.24258	1.7
267.21024	7.8
271.20499	3.7
285.22134	20.8
286.22430	1.4
287.05670	0.7
289.21674	9.4
303.23187	100.0
304.23471	4.3
321.24234	1.0
343.10403	0.7
385.92401	0.6
393.24191	4.6
405.91599	0.7
411.25385	1.9
429.26221	0.9
447.27203	1.7
489.28845	0.8
497.25348	1.0
515.26251	3.4
533.27478	27.1
534.28137	1.4
551.28510	4.8
599.21429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01871	0.3
55.05513	1.3
57.03439	1.9
61.02925	6.2
67.05507	4.9
67.05867	0.3
69.03432	3.3
69.07069	1.1
71.01351	0.4
71.04993	0.8
73.02918	4.5
75.04484	0.3
79.05494	3.9
79.05959	0.2
81.03415	2.8
81.07059	4.7
81.07524	0.3
83.08632	0.7
85.02906	6.5
87.04462	0.4
90.18991	0.2
91.03957	4.0
91.04521	0.2
91.05473	2.6
93.07040	3.4
95.04994	1.1
95.08617	3.4
97.02892	4.9
97.06542	0.7
98.20708	0.5
99.04467	0.9
101.02366	1.8
103.03941	0.4
105.07040	1.8
107.08604	2.0
109.02871	1.0
109.06516	0.4
109.10153	1.4
111.04470	0.3
111.08057	0.3
113.05969	0.2
115.03931	0.5
117.07072	0.4
119.08585	1.7
121.10149	1.4
123.11725	0.5
127.03924	1.9
129.05573	0.3
129.06970	0.5
131.08577	1.1
133.10112	1.3
135.11685	1.2
145.04987	0.4
145.10127	0.4
147.11703	0.9
149.09682	0.2
149.13316	0.5
157.10121	0.5
159.11711	0.5
159.26813	0.2
161.13322	0.4
175.11238	0.4
183.06700	0.2
184.07393	0.7
185.04236	0.5
193.12294	0.6
203.05348	0.3
211.13455	0.2
243.08360	2.0
251.12534	1.3
269.12296	0.3
335.25864	1.1
400.09650	0.3
469.20392	3.9
519.29309	6.9
520.29639	0.3
747.42877	100.0
748.43121	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01873	0.5
55.05512	1.2
57.03443	2.1
57.07071	0.3
61.02928	4.6
67.05502	3.7
69.03429	3.2
69.07068	1.0
70.17773	1.1
71.01354	0.3
71.04996	0.7
73.02917	3.3
76.23289	0.2
79.05499	3.4
81.03420	3.8
81.07066	3.4
83.08623	1.3
85.02908	6.3
87.04467	0.5
91.03963	2.9
91.05477	3.1
93.07047	3.6
95.04967	1.8
95.08620	2.9
97.02892	4.6
97.06572	0.5
97.10134	0.3
98.20825	0.4
99.04453	0.7
101.02386	1.9
105.07050	2.0
107.04984	0.5
107.08580	1.4
108.49606	0.2
109.02909	0.5
109.10181	1.0
111.08089	0.4
115.03969	0.4
117.07019	0.4
119.08597	1.7
121.10118	1.4
123.11761	0.5
127.03915	1.5
129.07047	0.8
131.08565	0.9
133.10141	1.0
135.11719	0.8
145.10210	0.5
147.08096	0.3
147.11694	0.8
149.09612	0.4
157.10153	0.8
163.72739	0.3
165.55493	0.2
175.11201	0.6
180.31221	0.2
184.07388	1.1
185.04213	0.5
188.19647	0.3
193.12270	1.2
203.05399	0.4
211.13345	0.5
243.08417	2.2
251.12610	0.8
265.18546	0.3
269.12433	0.4
285.17123	0.4
335.25958	0.5
336.26154	0.4
378.26273	0.3
422.19406	0.3
469.20477	8.4
519.29242	4.5
564.11975	0.3
585.37573	0.3
704.34552	0.3
747.42908	100.0
748.43146	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	747.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
54.19696	0.5
55.05510	1.2
57.03427	2.1
57.07064	0.8
59.49609	0.6
61.02929	4.7
67.05509	4.7
69.03445	3.2
69.07067	2.0
69.79443	3.5
71.04987	0.8
73.01304	0.6
73.02916	3.5
75.46535	0.6
79.05506	3.3
81.03418	5.4
81.07063	4.5
82.07387	0.6
83.08619	2.1
83.69334	0.6
85.02899	5.5
91.03963	3.7
91.05471	1.9
93.07026	3.2
95.04984	2.0
95.08614	5.2
97.02901	4.0
99.04430	1.0
101.02380	1.5
105.07011	2.3
107.08599	2.4
109.02856	1.3
109.10162	2.0
110.95042	0.6
111.08109	1.0
119.08591	2.4
121.10162	2.2
123.08087	0.6
123.11720	0.9
127.03926	1.7
131.08609	0.9
133.10106	0.9
135.11653	0.7
145.10226	0.9
147.11713	1.0
157.10193	0.8
175.11186	1.0
193.12282	2.8
211.13362	2.0
236.92436	0.6
243.08553	2.3
251.12511	3.3
256.12448	0.6
276.40485	0.6
301.21783	0.8
307.15369	0.9
313.27557	0.8
322.82727	0.6
335.25870	0.8
420.91989	0.7
469.20441	10.8
519.29376	4.7
747.42896	100.0
748.43463	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	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.9
57.03438	1.9
57.07069	0.7
61.02934	4.8
63.81215	0.8
66.30138	0.7
67.05502	5.1
69.03438	3.0
69.07076	1.2
70.35366	0.7
71.00735	0.7
71.08685	1.1
73.02932	3.3
79.05505	3.4
81.03425	3.5
81.07056	4.8
83.08649	0.9
85.02904	5.8
86.03242	0.8
90.31242	0.7
91.03952	3.5
91.05489	2.8
93.07047	4.2
94.07400	0.7
95.04980	1.4
95.08611	4.9
97.02888	5.4
101.02407	2.1
105.07059	1.6
107.08624	2.0
109.02824	0.9
109.10171	2.2
119.08595	1.5
121.10162	1.3
126.83113	0.7
127.03957	1.5
135.11743	1.5
145.10127	1.1
147.11728	1.1
181.12427	0.9
184.07349	1.1
185.04398	0.8
185.20389	0.8
193.12286	1.9
193.33998	0.8
211.13356	1.2
229.31903	0.9
243.08527	2.0
249.11046	2.3
250.11420	1.1
251.12488	4.1
335.26279	1.4
467.19321	1.6
468.19193	1.9
469.20615	5.6
519.29382	5.7
558.05286	0.8
645.16278	0.9
659.89667	0.8
747.42609	100.0
748.43707	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	746.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
54.16060	0.3
55.01864	0.6
55.05514	0.8
57.03430	0.4
58.06604	0.4
60.08167	40.1
61.39186	0.3
65.03658	0.3
65.03947	4.4
67.05478	1.3
67.17105	0.3
69.03440	2.5
69.07047	1.5
69.36292	1.7
69.36719	2.0
69.56063	0.3
70.06583	1.5
71.05005	0.8
72.08161	0.5
79.05488	1.6
81.03419	3.2
81.07058	3.3
82.07366	0.5
83.08611	1.6
85.02921	1.9
86.09695	0.7
89.03895	0.8
91.04958	0.6
91.05480	6.1
93.03407	2.4
93.07037	3.2
95.04976	1.7
95.08614	2.1
97.02898	6.9
97.06525	0.5
99.04456	1.3
103.05468	1.4
105.01859	0.4
105.07058	2.6
107.04948	1.4
107.08585	2.9
109.02888	8.2
109.06528	1.8
109.10145	1.0
110.03655	1.0
111.03695	0.7
111.04449	13.0
111.08087	2.2
117.03367	0.5
117.06989	0.8
119.04954	4.2
119.08590	6.4
121.02888	0.6
121.06513	2.7
121.10140	2.7
122.03638	1.0
123.08091	2.2
125.05998	20.7
125.09634	12.1
126.06270	0.6
126.09969	0.5
126.72530	0.4
127.03062	0.7
127.03918	6.7
127.48638	0.4
129.09126	1.1
131.04895	1.1
131.08588	0.8
131.74971	0.3
133.06464	0.9
133.10135	6.7
134.03624	0.6
134.05962	0.4
134.10526	0.4
135.04407	1.0
135.08083	0.6
135.11708	1.0
137.05978	4.4
137.09608	1.1
137.13260	0.8
143.08540	0.7
145.02850	1.5
145.04961	1.7
145.10107	0.7
147.04446	2.1
147.08047	3.3
149.05988	75.6
150.06433	1.1
151.03889	0.6
151.07579	1.8
151.11209	1.0
153.05469	68.7
154.05836	0.8
161.06006	0.8
161.09618	4.2
163.03917	2.5
163.07590	0.6
163.11185	0.7
164.04257	0.4
165.09119	4.7
166.60698	0.4
167.07054	2.3
167.08240	0.3
173.29718	0.4
177.05476	7.6
178.05992	0.4
179.10658	3.6
181.05011	0.8
182.05347	0.4
189.09137	3.6
191.06985	0.6
194.11769	0.7
195.06538	44.9
196.06985	0.7
207.10164	5.5
225.11209	6.0
237.02748	0.4
254.13925	1.0
255.12386	0.5
259.09540	0.4
262.35754	0.4
266.13730	0.6
282.13287	1.9
331.18909	0.6
338.15909	0.8
349.20114	0.8
380.17374	0.4
398.17892	0.4
416.19485	0.5
457.22348	0.8
475.23425	1.2
526.26465	7.8
735.16376	0.5
746.37439	100.0
747.25464	0.5
747.37811	5.6
760.61517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05505	0.9
56.21753	0.2
57.03432	0.2
57.07068	0.5
65.03931	0.3
67.01852	0.5
67.05510	2.3
69.03433	2.2
69.07079	1.3
69.86395	1.4
71.04977	1.0
73.02908	0.2
74.31499	0.3
79.05492	2.1
81.03424	3.3
81.07059	3.8
83.04987	0.3
83.08598	0.8
85.02911	2.1
85.22078	0.2
87.00863	0.3
89.03922	3.8
91.05486	2.2
93.07054	3.6
95.04961	0.8
95.08607	8.9
97.02290	0.3
97.02897	4.4
97.06525	0.3
97.10183	0.4
98.21467	0.5
99.04447	1.1
103.05431	0.3
105.01853	0.5
105.07038	3.0
107.04968	1.8
107.08601	6.1
109.02889	6.1
109.06508	0.5
109.09450	0.4
109.10162	5.1
110.71803	0.2
111.04428	0.9
117.03379	4.8
117.07008	0.3
119.08578	3.7
121.10155	4.9
123.04465	0.5
123.08046	0.3
123.11720	1.5
125.05994	0.7
127.03911	5.2
129.06989	0.3
131.04974	0.3
131.08574	1.0
133.06532	0.3
133.10138	3.1
135.04424	12.3
135.08028	0.4
135.11690	2.4
136.04758	0.3
137.06020	0.5
137.09727	0.2
139.07513	0.3
142.07835	0.3
143.08585	0.8
145.02849	10.1
145.04790	0.4
145.10117	1.6
147.04364	0.3
147.08113	0.2
147.11673	1.9
149.06021	0.3
149.13269	1.2
151.07556	0.3
155.08647	0.3
156.09322	0.3
157.10144	1.0
159.08038	0.3
159.11687	1.8
161.09637	0.7
161.13287	1.6
163.03906	100.0
163.14835	1.1
164.04259	1.9
165.09094	0.4
169.10109	0.5
170.10739	0.3
171.11757	1.2
173.09622	0.7
173.13300	1.2
175.07541	0.2
175.11203	0.4
175.14861	0.4
176.25667	0.3
177.09192	0.3
179.10675	0.6
181.04951	5.9
184.07365	0.4
185.09677	0.4
185.13225	1.1
186.05548	0.8
187.11209	0.8
187.14833	0.5
189.09236	0.3
189.16441	0.5
191.10684	0.5
193.12218	0.3
199.11090	0.5
199.14856	0.6
201.12819	0.5
201.16399	0.5
203.10664	0.3
203.17999	0.8
205.12238	0.7
213.03998	0.9
213.12791	0.7
213.16364	0.4
217.12312	0.7
219.13792	0.4
220.58926	0.2
227.07047	0.3
227.14249	0.4
231.04922	0.4
231.13853	1.1
239.18036	0.6
241.19559	0.6
245.08194	0.4
245.15408	1.0
255.21094	1.0
259.16949	0.4
269.19028	0.3
271.05917	0.3
283.20609	1.6
285.18497	0.5
287.20050	2.6
301.21622	11.1
302.21954	0.8
307.08282	1.4
336.13522	0.2
351.07452	0.2
375.06906	0.3
391.22821	0.4
393.08032	0.5
397.80862	0.2
409.23779	1.7
411.09235	35.0
412.09476	1.3
415.12964	0.3
498.16751	0.2
513.24792	0.3
746.39545	0.3
771.16846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61306	0.2
53.03944	0.5
55.01875	0.3
55.05516	1.4
57.03437	1.5
61.02925	4.3
67.05502	3.8
69.03429	2.6
69.07069	1.0
70.89935	0.3
70.90308	0.4
71.01357	0.4
71.04995	0.5
73.01623	0.2
73.02917	3.5
79.05492	3.3
80.05824	0.3
81.03421	1.3
81.07059	4.1
83.01368	0.2
83.04988	0.5
83.08624	0.6
85.02904	3.8
87.04473	0.4
91.03957	2.3
91.05477	1.5
93.07042	3.8
94.07414	0.2
95.04966	0.8
95.08610	4.3
97.02893	3.6
97.06535	0.3
97.10168	0.2
99.04447	1.0
101.02374	1.8
103.04001	0.3
105.07022	1.3
107.04940	0.4
107.08598	2.6
109.02872	0.9
109.06515	0.3
109.10158	1.1
111.04465	0.3
115.03945	0.2
117.07041	0.7
117.61156	0.2
119.08562	1.3
121.06535	0.4
121.10149	1.9
123.11753	0.3
125.06032	0.2
127.03936	1.3
131.08592	0.6
133.10153	0.5
135.11697	3.1
145.10141	2.2
149.13269	0.4
150.02986	0.2
153.12706	0.2
159.11667	0.2
161.13226	0.3
163.11182	4.6
173.13268	0.2
181.12259	0.8
185.04256	0.8
203.05319	0.2
204.12085	0.2
219.09988	0.7
227.12787	3.7
241.06876	0.2
243.08405	2.3
243.10719	0.2
249.10997	10.5
250.11380	0.3
302.75342	0.2
305.13593	2.5
335.25931	0.8
419.99878	0.2
439.19281	0.3
467.18936	13.3
468.19537	0.6
519.29340	6.9
520.29742	0.4
583.36267	0.6
745.41290	100.0
746.41565	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	745.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01867	0.8
55.05518	1.6
57.03439	2.3
59.04998	0.6
61.02929	5.7
65.03939	0.2
67.05504	4.2
69.03429	3.0
69.07069	1.5
71.01365	0.5
71.04992	1.0
71.60914	0.3
73.02917	4.1
79.05499	3.0
81.03416	3.1
81.07060	4.8
82.07399	0.3
83.01345	0.4
83.04992	0.9
83.08625	1.0
85.02902	5.3
87.04469	0.3
90.01453	0.3
91.03961	3.4
91.05486	2.3
93.07043	4.0
95.04983	1.2
95.08609	3.3
96.08932	0.4
97.02892	5.2
97.06522	0.6
97.10167	0.3
99.04485	0.9
101.02383	2.0
103.03920	0.4
105.07050	1.4
107.04980	0.4
107.08601	2.2
109.02881	1.0
109.06551	0.5
109.10174	1.7
111.04447	0.4
115.03953	0.5
116.08273	0.3
117.07049	0.7
119.08575	1.3
119.98651	0.3
121.06516	0.3
121.10127	1.4
123.08103	0.8
123.11752	0.5
123.37440	0.3
127.03918	2.0
129.07013	0.5
131.08597	0.7
133.10143	0.9
135.08112	0.3
135.11664	1.7
145.05019	0.3
145.10133	1.7
147.11771	0.5
153.12746	0.3
159.11745	0.3
163.11192	2.3
181.12193	0.3
185.04277	0.8
188.91562	0.3
193.12259	0.3
193.73830	0.2
203.05278	0.5
209.11777	0.4
209.82747	0.2
238.43517	0.2
243.08389	2.6
249.11069	0.5
261.22168	0.3
283.15430	0.9
285.17053	0.5
305.13690	0.3
315.16663	0.3
335.25983	0.7
337.27396	0.6
338.27737	0.4
467.18930	9.3
519.29285	4.2
547.40149	0.6
548.40210	1.3
582.98596	0.3
745.41309	100.0
746.41602	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	745.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01864	0.8
55.05509	1.3
57.03435	0.7
57.07067	0.5
61.02917	0.3
63.57591	0.2
65.03931	0.3
67.05491	1.8
69.03423	2.8
69.07072	2.4
70.06583	0.2
70.61018	0.3
71.05004	0.6
71.59840	0.4
73.02912	0.4
79.05497	2.8
81.03422	1.5
81.07062	3.2
83.04971	1.4
83.08624	0.4
85.02907	4.8
87.00843	1.6
91.05489	3.2
93.07043	4.2
95.04973	1.1
95.08617	3.0
97.02893	4.2
97.06539	0.8
97.10169	0.7
99.04446	0.7
99.08096	29.7
103.05428	0.4
105.01884	2.3
105.07040	6.0
107.04974	0.6
107.08598	9.6
109.02878	3.3
109.06526	1.0
109.10156	1.2
111.04443	1.6
111.08096	0.7
117.07011	0.4
119.04931	0.4
119.08587	4.6
121.06522	0.8
121.09326	0.4
121.10157	5.8
123.04477	0.4
123.08057	1.5
123.11727	0.6
125.05996	1.1
125.09630	100.0
126.09983	0.6
127.03920	5.3
129.06993	0.3
131.04895	0.6
131.08598	0.5
133.06497	1.0
133.10127	4.2
135.08064	0.4
135.11711	0.4
137.05975	2.7
137.09625	0.4
137.13258	0.3
139.07520	0.8
143.33308	0.3
145.04929	1.1
145.10121	0.5
147.04395	1.0
147.11685	6.2
149.09616	2.1
149.13222	0.8
151.03954	0.5
151.07541	1.4
151.11185	1.1
153.05424	0.4
157.10123	0.3
161.05869	0.4
163.03854	0.3
163.07541	0.4
163.11186	0.5
165.09111	0.7
165.12778	2.1
167.07039	1.2
167.10687	0.4
173.06030	0.3
175.11209	2.4
177.05475	0.6
179.07031	0.4
181.05000	0.7
181.12276	0.9
187.05980	0.5
189.04002	0.4
193.12253	8.2
211.13301	16.6
213.03989	1.4
213.15056	0.4
217.12305	0.3
222.86453	0.3
231.04980	1.5
233.08165	0.6
249.06110	0.7
273.06030	1.4
287.05356	0.3
299.09326	0.4
302.76813	0.3
311.12817	0.4
317.21075	0.6
335.22171	39.4
336.22531	0.7
353.23401	1.8
357.07898	0.3
387.14182	0.5
417.15344	0.4
443.08334	0.4
461.08954	0.4
464.46735	0.3
473.68185	0.3
547.25494	0.5
565.26764	0.3
698.76929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05272	0.9
55.05513	11.6
57.03229	0.7
57.03438	6.9
57.07075	2.3
57.82048	0.8
59.04996	2.7
61.02916	3.6
62.94930	0.7
65.03936	2.1
67.05505	81.7
67.51806	0.8
69.03422	1.9
69.06734	1.0
69.07075	11.7
71.04992	18.4
71.05973	2.2
73.02924	1.0
79.05493	31.3
81.03426	1.9
81.07059	38.2
83.04972	5.1
83.08628	8.4
85.02905	3.6
85.06536	2.6
85.10165	0.8
91.03946	1.4
91.05476	21.4
91.43364	0.8
93.07046	41.2
95.04960	3.9
95.08608	29.0
97.02892	1.6
97.06527	3.5
97.10168	2.3
99.08073	1.6
105.07021	9.7
107.08598	18.2
109.06493	1.3
109.10158	63.6
110.10435	0.9
111.08083	2.9
111.85204	0.7
117.07018	7.0
119.07788	1.3
119.08585	15.1
119.92546	0.8
121.10133	13.4
123.08041	0.9
123.11729	2.9
125.09546	0.8
129.07024	0.9
131.08569	5.3
133.10139	6.1
133.99066	0.8
135.08008	0.9
135.11697	12.5
137.09637	7.1
137.13347	0.8
139.11142	1.0
143.08562	0.9
145.10130	6.4
147.11685	5.0
147.95558	0.9
149.13275	3.2
155.10641	2.9
157.10147	1.3
159.11693	3.4
161.13264	3.3
163.11212	2.7
163.14856	1.2
169.12328	1.1
173.11720	8.0
173.13287	2.7
175.14862	0.9
181.12225	1.1
185.13181	1.0
187.14868	1.0
213.14850	1.8
229.14395	1.2
243.15872	1.6
243.20943	1.0
255.15932	5.1
261.22092	2.4
287.15506	1.3
287.18542	16.0
317.24701	0.9
335.25784	29.7
336.26358	1.1
379.29935	1.0
397.31253	1.4
465.35574	2.3
471.35059	2.6
489.35751	100.0
490.36066	2.7
503.37204	3.1
515.37329	13.4
516.37805	0.9
533.38434	1.3
547.39966	81.8
548.40222	2.7
745.41101	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01904	1.6
55.05508	9.2
57.03427	5.8
57.07080	1.9
59.04988	2.3
61.02931	3.9
63.64075	1.2
65.03928	1.8
67.05505	71.0
69.03424	2.5
69.07065	9.9
69.58905	10.4
71.04993	19.5
71.08640	1.8
79.05062	2.2
79.05496	26.2
79.05945	1.1
81.03422	2.9
81.07060	32.4
82.48003	1.2
83.04980	2.1
83.08638	7.0
85.02907	3.5
85.06535	3.4
86.09702	1.5
87.11724	1.4
91.05488	16.2
93.07045	31.9
95.04967	3.3
95.08611	29.6
97.06545	3.6
97.10171	2.6
105.07011	9.1
107.08602	16.4
109.06522	1.6
109.10155	50.4
111.08063	3.0
117.07034	4.2
119.08582	15.4
121.10148	15.4
123.11684	1.6
131.08572	6.5
133.10147	6.4
135.11681	12.8
137.09627	9.8
137.13266	1.6
139.11159	2.5
139.47954	1.2
145.10155	7.2
147.11702	3.2
149.13251	3.8
155.10693	3.5
159.11682	3.3
161.13271	1.9
163.11243	1.8
173.11729	8.2
173.13257	3.3
181.12259	2.5
184.07384	3.6
185.13324	1.4
187.13286	1.5
187.14868	1.6
213.14861	2.2
243.16046	2.0
247.64655	1.4
255.15984	4.0
259.20462	1.6
261.22083	3.1
287.18515	26.7
317.24579	1.6
335.25827	23.2
336.26059	2.0
423.32825	2.2
441.33463	1.6
471.34674	5.0
489.35767	100.0
490.36115	6.2
497.36301	2.4
503.37405	3.4
515.37390	22.1
547.39941	85.9
548.40277	5.6
656.16827	1.5
745.40717	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01868	1.0
57.03431	1.9
60.73687	0.8
64.35012	0.7
67.05499	3.5
69.03419	2.1
70.00858	3.3
70.06592	0.9
71.04971	1.0
72.08131	1.3
75.85690	0.8
78.39667	0.7
79.05499	4.3
81.03407	3.6
81.07056	5.4
83.04983	1.7
85.02907	12.0
91.05483	7.2
93.07046	9.4
95.04964	2.9
95.08604	3.9
97.02882	6.1
97.06522	2.1
103.05463	1.3
105.07024	9.2
107.04962	1.9
107.08601	7.2
109.02882	7.2
109.06505	2.3
109.10151	7.8
111.04448	2.7
111.08059	0.9
117.07056	1.0
119.05007	0.9
119.08586	9.6
121.06511	90.0
121.10133	3.4
122.06817	0.9
123.08024	1.5
123.11717	1.4
127.03918	11.3
129.07028	1.2
130.04971	1.0
131.04947	0.9
131.08575	2.4
133.06470	1.5
133.10129	8.3
135.08052	4.6
135.11655	2.2
137.05960	1.9
137.09598	1.8
138.09142	21.4
141.06926	1.0
143.08582	2.7
145.02824	1.8
145.05051	0.9
145.06458	1.5
145.10139	3.0
147.08069	5.1
149.09581	1.6
157.10149	1.6
159.11726	1.5
161.09564	5.1
162.14798	0.8
163.03967	1.2
163.07477	1.1
163.11150	3.0
165.09131	6.1
167.07091	0.9
171.11723	1.3
173.09592	1.5
177.05464	3.0
178.05745	1.5
179.10669	3.1
181.10149	1.2
185.09671	1.8
189.09088	3.7
191.10626	0.9
197.75296	0.7
199.11211	5.4
203.10681	1.1
204.10219	4.4
207.10207	5.2
217.12225	3.2
222.11275	29.5
225.11218	11.1
259.09537	1.2
266.13971	1.5
267.12271	1.6
268.11816	100.0
297.18423	1.2
315.19553	5.3
333.13531	1.2
357.20422	1.2
423.21716	1.5
441.22681	4.1
727.65430	0.9
735.67053	0.9
744.34448	1.9
765.73889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1814
Annotation	Quercetin 3-alpha-L-arabinopyranosyl-(1->6)-(2''-(E)-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
55.01875	0.9
57.03436	0.5
58.52036	0.3
61.02912	0.4
65.03934	5.8
67.05512	2.1
68.99797	0.6
69.03429	1.7
70.06586	1.2
71.59258	0.7
72.08157	0.4
81.03414	1.1
81.07047	1.0
85.02903	2.1
86.09697	0.7
89.03910	1.2
91.05473	7.0
93.03400	6.7
93.07052	0.6
94.04160	0.4
95.04988	1.2
95.08610	0.8
96.36542	0.4
97.02888	77.1
98.03222	0.9
98.97578	0.5
103.05442	0.5
105.07023	0.8
107.04948	1.8
107.08571	0.5
109.02875	1.1
109.06499	0.5
110.03666	0.5
111.00797	1.5
111.04439	1.3
115.05441	1.2
117.03372	1.7
117.06972	0.6
119.04941	14.2
121.02848	3.9
123.04435	0.5
125.02357	0.5
127.03896	2.7
128.06226	1.9
128.07039	0.5
129.06981	3.5
131.04921	1.5
131.08531	4.1
133.06480	0.7
135.04410	4.2
135.11737	0.5
137.02344	4.8
137.05971	1.4
139.03867	0.7
141.06984	3.6
143.08588	1.0
144.05693	2.5
145.02829	3.3
145.04988	0.5
145.06477	1.0
147.04404	61.7
148.04776	0.9
149.02341	4.9
151.03963	0.6
152.06236	0.7
153.01819	4.8
153.07027	0.9
157.06490	5.6
158.02373	0.5
158.07257	1.2
159.08049	18.3
161.05951	0.8
163.03902	28.0
164.04196	0.7
165.01849	2.6
167.03397	22.7
167.07086	1.7
169.06464	6.9
169.07658	0.7
171.08076	1.7
173.05997	1.4
175.07509	4.6
177.05475	1.1
181.05017	0.9
183.02875	1.2
183.04367	0.5
185.05981	6.0
187.07544	10.9
188.08104	0.4
191.07086	0.5
197.06010	7.0
197.07872	1.0
199.07501	0.5
201.05423	2.1
203.07083	2.6
209.08025	0.5
213.05545	2.7
215.07018	12.2
225.05392	1.0
229.04993	3.4
231.06526	4.9
233.08113	0.6
243.06523	3.6
247.05911	0.8
257.04483	2.4
259.06116	1.9
261.07574	30.9
262.07935	0.6
274.04840	0.8
277.07071	12.2
279.08618	3.1
285.03778	0.7
287.05487	48.3
288.05884	1.2
289.04651	0.4
295.08179	1.1
301.59744	0.5
303.04980	100.0
304.05280	2.1
318.20413	0.4
329.06583	0.8
345.05978	1.1
435.06970	0.6
505.21143	0.5
664.50311	0.4
701.51227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01865	3.8
55.05515	15.0
57.03188	1.4
57.03443	16.6
57.07062	3.0
57.10210	0.9
58.49483	1.0
61.02916	1.1
65.03943	2.3
66.28094	0.9
67.05507	52.0
69.03431	2.8
69.07066	13.9
69.33120	4.2
69.33546	5.2
71.04993	3.0
79.05497	37.9
81.03417	80.9
81.07059	58.2
83.04995	5.5
83.08618	20.9
85.02888	1.4
85.06532	2.9
86.09688	2.5
91.03960	1.1
91.05479	31.2
91.06339	1.2
93.07044	44.0
95.04967	27.5
95.08607	42.1
95.09233	1.0
97.02881	2.1
97.06535	4.9
97.10175	6.9
98.20786	2.0
105.04516	1.0
105.07031	23.3
107.04984	5.9
107.08595	24.0
109.06553	5.0
109.10159	20.6
111.04455	2.7
111.08105	7.0
115.05424	1.3
117.07028	8.6
119.04928	0.9
119.08586	23.7
121.06519	3.8
121.10147	23.2
123.04427	1.7
123.08070	3.2
123.11698	6.8
124.99988	1.3
125.09631	4.0
128.06207	0.9
129.07004	12.1
131.08577	20.5
131.09521	1.6
133.06499	3.6
133.10132	13.1
135.08032	1.5
135.11707	12.5
137.09619	2.3
137.13248	1.6
142.07736	1.3
143.08517	2.4
145.10123	10.1
147.08089	3.3
147.11693	13.2
149.09648	7.2
149.10674	1.4
149.13245	6.5
151.11168	1.9
155.08588	1.0
157.10152	10.7
159.11697	7.8
161.13287	5.5
163.11159	3.1
163.14841	3.1
165.12787	2.5
171.11691	2.4
173.09720	1.4
173.13249	6.3
175.11160	7.8
175.14832	3.0
177.12651	1.5
181.10016	1.1
184.07338	7.4
185.13213	1.8
187.14851	2.8
189.11229	4.1
193.12259	21.9
197.13327	1.4
199.14894	1.7
201.16325	1.5
205.12173	1.2
211.13303	2.7
213.16476	1.4
227.12775	8.6
228.39676	1.2
235.13264	2.0
243.21068	6.3
249.14882	3.3
259.20599	1.2
261.22141	20.2
267.15918	100.0
268.16290	1.1
279.23236	1.2
285.16946	2.3
287.23712	1.1
289.21597	1.3
299.23456	1.2
301.14453	1.1
301.22275	1.0
301.25098	6.0
309.17038	1.1
315.23154	1.3
317.24661	3.4
333.24393	1.1
335.25809	83.9
336.26218	1.5
417.31616	1.1
421.25842	2.7
432.17447	1.1
435.27252	1.8
435.32578	5.7
453.33511	7.6
471.34607	6.0
475.30856	1.5
509.36276	2.3
523.39380	1.2
527.37366	67.3
528.37659	1.7
545.38403	53.4
563.39166	3.5
569.38177	2.9
635.38849	1.4
641.81940	1.3
641.97882	1.0
642.22546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
54.46167	0.9
55.01871	2.2
55.05511	17.5
57.03184	1.2
57.03438	14.8
57.07063	1.6
57.86743	0.9
61.02919	3.7
65.03944	2.7
65.63558	0.8
67.05505	50.0
69.03419	3.8
69.07062	13.9
70.84860	1.4
70.85203	2.1
71.04987	3.6
73.02917	0.9
79.05492	36.6
81.02930	1.4
81.03417	39.2
81.07056	52.4
83.04980	11.5
83.08147	1.2
83.08616	19.3
85.02906	18.3
85.06550	2.4
91.03981	1.2
91.05484	33.1
93.07047	44.4
95.04975	20.8
95.08607	34.0
95.09224	1.0
97.02884	3.6
97.06528	4.2
97.10188	5.1
99.08078	2.0
105.07028	21.9
107.04938	4.2
107.08593	18.3
109.06511	3.8
109.10166	13.3
111.04470	2.2
111.08079	7.9
113.05997	1.5
117.06998	4.8
119.08578	18.1
121.06474	2.0
121.10148	17.9
122.10377	0.9
123.08057	2.6
123.11726	5.1
125.09600	1.1
129.07018	8.4
131.08575	14.4
133.06494	1.6
133.10141	16.0
135.11664	9.1
137.09627	2.1
137.31650	0.8
142.07761	1.8
143.08527	1.2
145.10136	5.8
147.08058	2.8
147.11710	15.7
149.09651	7.8
149.13260	3.8
157.10136	11.1
159.11691	3.8
161.13239	3.1
163.11116	1.1
163.14789	1.4
165.12730	2.9
171.11705	1.1
173.13257	3.8
175.11194	11.2
177.12741	0.9
184.07295	2.1
187.14819	1.7
193.12241	33.1
211.13284	45.2
227.12788	1.5
243.21144	2.7
246.22539	0.9
261.22122	8.7
265.14114	1.0
267.15921	15.9
285.16968	51.7
286.17377	1.0
317.24802	2.7
335.25800	82.3
336.26178	3.1
417.31711	1.4
435.32553	2.2
527.37317	16.0
545.38373	100.0
546.38831	5.3
554.92444	1.1
705.95709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.01883	2.4
55.05510	20.7
57.03158	0.7
57.03439	16.9
57.07082	2.4
61.02929	4.4
62.18670	0.9
65.03950	3.5
67.05504	56.8
69.03442	4.9
69.07066	14.1
71.04993	5.5
71.21633	2.1
73.02927	1.7
78.15370	0.8
79.05494	41.9
81.03418	61.3
81.07056	61.3
83.04981	14.9
83.08623	26.0
83.09116	1.5
85.02906	25.6
85.06546	1.4
91.03976	1.6
91.05484	40.8
93.07046	46.6
95.04972	27.7
95.05544	1.6
95.08607	40.3
97.02904	4.6
97.06521	6.0
97.10163	4.9
99.08132	1.1
104.94212	0.9
105.07027	34.5
107.04967	7.5
107.08598	22.4
107.09288	1.6
109.06523	5.4
109.10159	15.0
111.04461	2.2
111.08073	9.3
113.06049	1.9
117.06327	1.0
117.06993	4.9
119.04915	0.9
119.08581	25.0
121.06538	2.5
121.10148	21.5
123.08113	1.6
123.11710	4.6
125.09637	1.7
127.03941	1.6
129.06996	9.4
131.08580	16.1
133.06557	2.7
133.10135	16.3
135.11714	10.2
137.09630	2.5
142.07825	2.2
143.08665	1.4
145.10117	7.3
145.58687	0.9
147.08102	3.5
147.11702	18.7
149.09612	5.9
149.13200	4.5
155.08644	1.2
157.10143	15.4
159.11717	4.7
161.13310	2.7
163.14833	1.7
163.23613	1.0
165.12805	2.8
171.11739	1.2
173.13354	3.6
175.11197	14.2
187.14784	1.0
193.12245	42.9
195.55669	0.8
203.43930	0.9
211.13289	71.5
212.13718	0.8
243.21136	4.0
249.14790	1.2
261.22104	10.3
267.15906	14.0
272.18445	0.8
285.16968	76.2
286.17361	1.3
300.47501	0.9
301.25159	1.1
317.24863	3.1
335.25793	74.8
336.26273	2.5
346.64832	1.1
385.79333	1.0
435.32520	2.1
453.33618	1.9
471.35019	1.6
527.37360	11.8
545.38379	100.0
546.38623	6.7
661.23572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01871	1.5
55.05258	1.0
55.05510	14.7
57.03181	1.1
57.03439	12.4
57.07061	1.6
59.04998	0.9
61.02921	2.2
65.03934	1.7
67.05504	40.6
68.05845	0.7
69.03423	3.5
69.07069	11.0
69.82501	0.6
70.21674	2.7
70.76135	0.6
71.05003	3.7
73.02892	1.2
79.05493	33.2
81.03418	36.9
81.07059	38.8
82.07398	0.9
83.04987	9.0
83.08620	17.2
85.02908	17.5
85.06535	1.9
86.09698	1.0
91.03967	0.7
91.05478	22.9
93.07045	33.3
94.07386	1.4
95.04969	19.3
95.08607	28.7
96.08952	1.0
97.02878	2.4
97.06535	3.9
97.10177	3.5
98.20905	1.0
99.08110	1.4
103.05463	0.6
105.07029	15.3
107.04953	3.4
107.08594	15.0
108.08990	0.7
109.06509	3.2
109.10163	11.4
110.11296	0.6
111.04464	1.7
111.08079	7.5
113.06006	1.8
115.05439	0.7
117.07018	3.4
119.08578	14.3
121.06499	1.3
121.10146	16.0
123.08064	2.2
123.11728	3.8
125.00002	0.7
125.09618	1.1
129.07005	5.5
131.08578	10.7
133.06500	1.8
133.10136	8.2
135.11690	7.9
136.11981	0.8
137.09621	1.1
137.13297	0.9
142.07793	2.0
145.10129	5.3
147.08063	1.1
147.11685	11.3
149.09615	3.8
149.13292	2.4
157.10124	7.8
159.11703	1.5
161.13284	1.9
163.11211	2.8
163.14810	1.3
164.11650	0.8
165.12796	2.7
173.13326	1.8
175.11176	8.3
175.14870	1.1
184.07343	2.9
185.13379	1.1
187.14871	1.1
191.14287	0.7
193.12253	23.7
211.13295	31.1
217.18658	0.7
227.12834	2.1
228.13101	1.5
243.21167	1.3
261.22177	5.5
267.15903	7.2
283.15402	3.0
284.15747	2.3
285.16965	32.8
301.25089	0.7
317.24918	1.1
335.25803	53.7
336.26135	2.1
337.26578	1.5
435.33011	1.1
453.33801	1.0
455.64609	0.7
471.34525	0.7
527.37451	7.6
544.37250	0.8
545.38354	100.0
546.38531	3.2
563.39069	0.7
662.26959	0.7
765.57367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.5
53.03952	2.3
55.01887	2.1
55.05511	12.7
57.03437	9.1
57.07061	1.0
59.04987	0.6
61.02915	1.9
65.03931	1.2
67.05505	30.7
68.05840	0.6
69.03432	2.2
69.03747	0.5
69.06714	0.7
69.07066	8.6
69.58781	3.0
70.04746	0.4
71.01327	0.5
71.05000	2.1
71.08643	0.5
73.02915	0.6
79.05492	23.7
80.05827	0.6
81.03419	40.1
81.07058	30.9
82.07384	0.4
83.04987	8.8
83.08617	16.9
85.02905	14.4
85.06538	1.7
86.09709	2.0
91.03960	0.7
91.05480	17.2
93.07045	23.6
95.04968	16.5
95.08610	20.5
95.09233	0.7
96.08965	0.5
97.02894	2.5
97.06522	2.7
97.10168	3.3
98.21467	0.8
99.04416	0.5
99.08090	1.4
105.07032	15.3
107.04963	2.8
107.08591	14.2
107.09158	0.3
108.08891	0.4
109.06506	3.1
109.10162	8.2
111.04445	1.4
111.08078	7.2
113.06008	1.1
115.05435	1.0
117.07010	2.8
119.04908	0.5
119.08585	14.4
121.06502	1.4
121.10139	12.9
123.08070	2.0
123.11685	3.3
125.00004	1.2
125.09683	0.7
129.07011	5.3
131.08566	8.8
133.06479	1.9
133.10138	9.0
135.08095	0.8
135.11685	6.4
136.12094	0.6
137.09615	1.2
137.13284	0.6
142.07799	1.0
145.10103	3.6
147.08086	2.3
147.11682	11.2
149.09625	3.6
149.13287	2.4
151.11183	0.7
153.12781	0.5
157.10124	8.7
159.11731	2.1
159.13228	0.4
161.13283	2.2
163.11189	1.6
163.14810	1.3
164.11574	0.7
165.12781	2.6
171.11726	0.5
173.13254	1.4
175.11179	8.6
175.14842	0.6
181.12221	0.7
184.07326	7.9
185.13219	0.5
187.14832	0.6
193.12241	29.2
201.16400	0.5
211.13290	43.4
212.13696	0.7
227.12764	2.3
228.13133	0.8
243.21127	1.3
261.22134	5.1
267.15894	8.2
283.15442	1.8
284.15808	1.2
285.16965	38.4
286.17261	0.7
317.24756	1.3
335.25809	43.6
336.25995	2.4
337.26880	1.4
435.32516	1.4
453.33624	1.5
471.34845	0.6
496.17545	0.5
497.07367	0.5
527.37305	8.4
544.37415	0.5
545.38361	100.0
546.38605	3.5
563.39148	0.7
650.89221	0.4
729.96771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
54.86437	1.2
55.01860	2.5
55.05500	3.1
57.03437	2.8
67.05505	4.5
68.59379	1.1
69.03427	11.4
69.07050	2.5
70.06583	1.4
70.55935	3.1
71.01344	1.5
71.04987	2.2
73.47356	1.2
77.16312	1.6
79.05488	5.7
81.03416	33.8
81.07043	8.2
83.04995	3.6
85.02908	7.8
86.06091	1.3
86.09691	1.7
87.00841	1.9
91.05473	10.5
93.07036	11.8
95.04979	4.5
95.08611	9.2
97.02892	20.8
99.04462	6.1
105.07030	17.0
107.04915	1.2
107.08585	16.7
109.02873	100.0
109.06509	8.6
109.10166	4.5
111.04440	5.0
111.08103	5.8
113.06007	1.2
113.42099	1.2
119.04906	1.8
119.08573	34.6
119.09955	1.4
120.08109	1.4
121.06519	3.2
121.10136	13.4
123.04454	5.4
123.08073	13.2
123.11724	4.4
125.02322	1.4
125.09624	76.9
126.25881	1.1
127.03911	82.8
130.51816	1.3
131.08575	2.5
133.06479	4.2
133.10115	32.9
135.11699	3.8
137.05951	2.1
137.09639	4.2
143.08574	5.1
145.04933	6.6
145.10150	3.9
147.04462	1.8
147.08047	17.9
148.05347	1.4
151.03896	6.2
151.07558	2.3
151.11208	5.1
157.10213	1.2
161.05959	1.8
161.09607	24.4
163.03838	1.5
163.11276	2.9
165.09085	22.5
169.05037	2.6
175.11230	2.1
179.10652	14.7
181.04910	1.6
188.69131	1.4
189.05568	1.8
189.09113	17.9
193.05040	4.9
199.69490	1.3
207.10156	25.2
207.11983	1.7
212.37462	1.2
213.03996	5.4
217.05054	4.9
225.11206	45.0
225.13333	2.3
229.15997	2.0
235.06050	5.5
255.52782	1.5
267.12366	7.2
271.16971	1.8
289.18069	2.6
295.17053	2.1
303.19653	2.2
313.18085	3.9
315.12338	1.5
321.06012	1.5
331.18967	17.8
333.13431	4.6
339.07443	1.7
343.19852	1.2
349.20071	15.1
351.14502	5.6
391.21075	11.4
421.22351	2.7
439.21017	1.7
449.25702	1.5
451.23260	3.2
457.22064	26.8
457.28015	1.5
475.23212	18.1
493.24252	3.3
521.17950	13.5
565.24548	3.0
583.25500	2.2
601.26404	2.3
606.59845	1.4
687.25604	2.4
705.27002	2.1
741.28802	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.0
55.01862	2.7
55.05510	2.3
55.48404	1.1
56.08709	1.0
57.03440	1.6
66.76095	1.0
67.05501	4.0
69.03427	11.2
69.07069	1.7
70.06598	2.4
70.57973	2.9
70.58369	2.4
71.04997	3.3
72.08153	1.5
73.02925	1.9
77.33997	1.0
79.05515	6.1
81.03416	30.4
81.07059	7.6
83.04984	3.2
83.08637	1.7
84.33995	1.0
85.02905	7.3
87.00813	1.9
91.05480	10.9
93.07038	11.4
95.01363	1.0
95.04978	5.0
95.08604	8.3
97.02899	22.5
99.04472	4.9
103.05473	1.1
105.07030	15.9
107.04972	1.4
107.08607	11.4
109.02882	100.0
109.06522	8.1
109.10172	3.5
110.03743	1.1
111.04475	4.3
111.08103	4.3
117.07038	2.7
119.04929	1.4
119.08585	34.9
121.06538	5.0
121.10137	15.4
123.04464	3.9
123.08073	10.9
123.11750	2.8
124.08852	1.9
125.02357	1.6
125.09631	77.7
126.09984	1.3
127.03918	79.8
128.60085	1.1
128.98654	1.3
130.94937	1.1
131.08603	1.8
133.06506	2.3
133.10129	31.4
135.08046	1.2
135.11746	4.5
137.06010	2.6
137.09619	5.5
143.08574	4.7
145.04985	7.7
145.10175	2.9
147.04375	1.4
147.08049	15.8
149.09685	1.5
151.03909	5.5
151.07628	1.8
151.11205	5.2
152.87292	1.1
161.05972	2.8
161.09624	21.2
161.10901	1.3
163.03851	1.8
163.11227	3.6
165.05467	1.5
165.09129	20.4
169.05008	1.5
169.10115	1.0
175.03967	1.5
175.11256	2.2
179.10654	16.8
179.11937	1.4
183.11780	1.1
189.05490	3.0
189.09117	17.0
193.05016	4.5
203.10646	1.6
205.04945	1.7
207.10175	25.2
213.03976	7.4
217.04893	6.6
217.57831	1.2
225.11217	44.0
235.06081	4.5
249.11333	2.3
257.19974	1.1
267.12299	6.9
271.17068	1.4
285.18506	1.7
289.18008	2.8
313.18100	1.9
315.12329	2.0
321.06174	1.7
331.18979	17.9
333.13306	6.2
339.07419	1.5
349.20151	15.0
351.14410	7.2
363.11755	1.3
391.21140	10.7
421.21924	2.2
439.21350	1.9
451.23099	2.5
457.22144	24.7
475.23285	20.3
475.29510	1.5
493.24496	3.2
521.17987	16.7
565.24237	2.8
583.25262	1.9
601.26941	2.2
661.28009	1.4
669.25586	2.3
687.26917	2.8
705.26917	2.5
741.28796	89.4
742.29358	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	741.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05514	1.8
56.96585	0.4
57.07080	4.3
63.52094	0.3
65.03931	0.8
67.05506	13.3
69.07072	13.8
71.08649	1.3
71.61110	0.5
79.05495	9.0
79.05961	0.5
81.07056	100.0
82.07407	0.8
83.08598	0.3
84.04449	0.3
87.12059	0.3
91.05479	0.9
93.07038	2.8
95.04963	0.7
95.08606	53.5
96.08936	0.5
98.21619	0.3
107.08616	0.7
109.10148	4.0
118.92142	0.5
119.92973	0.3
129.10265	0.3
131.04903	0.3
135.11650	0.5
136.93050	4.0
137.13255	14.4
138.13557	0.5
147.04405	0.3
147.70850	0.3
154.94162	14.0
172.95233	48.1
177.05391	0.4
177.95821	0.4
180.47984	0.3
185.04083	0.3
190.96278	33.4
195.96812	3.2
208.97321	0.8
213.97911	2.0
216.89896	0.3
234.90762	4.2
235.10982	0.6
252.91861	42.4
257.92624	0.3
270.92920	52.9
273.05917	2.1
275.93506	5.0
279.06808	0.4
288.94006	0.9
291.06653	13.9
293.94476	4.1
309.07724	5.8
314.08301	1.2
367.11404	0.3
371.03314	48.6
372.03677	0.7
388.84518	0.3
389.04382	18.6
409.18201	0.9
412.05981	7.1
469.01147	1.3
507.15875	76.6
508.16138	2.0
525.16833	5.6
548.18494	3.6
605.13446	4.9
666.61914	0.3
741.26215	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	740.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04711	0.1
55.05505	0.5
56.05030	0.4
57.07080	0.2
58.06616	0.6
59.07377	0.2
60.08162	5.4
67.05509	1.2
69.07073	0.2
71.07375	2.5
71.17328	0.3
79.05476	0.5
81.03413	0.2
81.07061	0.7
83.04993	0.2
83.08597	0.2
86.09706	28.2
87.10030	0.2
93.07043	0.3
95.04917	0.2
95.08598	0.6
98.98459	2.2
99.08082	0.2
104.10743	2.1
105.07013	0.2
107.08627	0.3
109.10172	0.4
119.08590	0.3
125.00006	17.2
133.10118	0.2
135.11688	0.3
143.01089	0.2
147.11726	0.2
147.15170	0.1
163.11142	0.3
166.02618	0.2
167.41023	0.1
168.13658	0.1
184.07339	100.0
185.07681	0.7
205.01628	0.2
222.08900	0.2
283.15381	0.4
306.27829	0.9
335.25842	0.3
337.27283	0.3
496.34164	0.2
543.37457	0.2
599.50519	0.6
650.43939	10.1
651.44257	0.5
667.38214	0.2
722.46246	0.3
740.47083	6.6
741.47565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2026
Annotation	Kaempferol 3-(4''-(Z)-p-coumarylrobinobioside)
Peak:m/z	Relative Intensity
54.20309	0.1
63.59502	0.1
65.03926	0.6
67.05503	0.2
69.03416	0.2
69.30432	0.1
69.30965	1.0
81.03428	0.2
81.07038	0.1
83.04987	1.0
85.02904	0.4
85.07681	0.2
91.05482	3.7
93.07014	0.1
95.05029	0.1
95.08608	0.1
95.30373	0.1
97.02907	0.2
98.21494	0.2
105.07047	0.2
107.04959	2.2
107.05690	0.1
109.02884	0.3
111.04456	1.5
119.04944	14.2
120.05235	0.2
121.02883	0.3
122.43331	0.1
125.09602	0.1
127.03932	0.2
131.04945	0.3
133.06482	0.1
137.05963	0.3
137.74487	0.1
145.06511	0.3
147.04410	100.0
148.04741	0.9
153.01810	0.2
157.06520	0.2
159.04326	0.1
159.08057	0.1
161.06015	0.2
169.04965	0.4
169.06439	0.2
173.06053	0.3
177.05530	0.2
187.07526	0.3
189.05449	0.2
199.07535	0.2
201.05466	2.3
203.06909	0.1
205.08841	0.1
213.05510	0.1
215.07016	0.3
217.04971	0.7
225.11171	0.2
226.11540	0.1
231.06696	0.2
257.08084	0.2
275.09143	21.2
276.09464	0.3
287.05505	7.1
288.06076	0.1
293.10193	10.5
321.11243	0.2
329.06668	0.1
363.61215	0.1
475.45782	0.1
728.51154	0.1
747.89520	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	740.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
56.05027	0.5
57.07060	0.3
58.06615	0.4
59.07381	0.2
60.08158	5.5
67.05497	0.9
69.07070	0.2
69.48915	0.1
70.91714	0.1
70.92042	0.3
71.07375	2.8
79.05489	0.2
81.07038	0.5
83.04994	0.2
83.08540	0.1
86.09700	26.6
91.05463	0.2
93.07049	0.2
95.08608	0.4
98.98452	2.7
104.10740	2.1
105.07025	0.2
107.08602	0.3
109.10172	0.5
118.59715	0.1
119.08591	0.2
121.10146	0.2
124.99996	17.5
143.01050	0.4
145.94258	0.1
157.51778	0.1
166.02702	0.2
184.07327	100.0
185.07678	0.7
222.08965	0.2
283.15488	0.2
306.27924	0.7
329.11526	0.1
337.27365	0.3
346.47916	0.1
496.33990	0.3
539.72949	0.1
599.50031	0.4
650.43884	11.9
651.44446	0.4
740.47046	8.1
741.46930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42669	0.1
55.05497	0.2
56.05035	0.5
57.07072	0.2
58.06614	0.6
59.07394	0.3
60.08162	6.0
67.05499	0.7
69.07085	0.1
71.07369	2.7
71.08624	0.1
71.58066	0.1
79.05471	0.2
80.97411	0.1
81.07045	0.5
83.08593	0.1
86.09702	27.9
87.10037	0.3
91.05466	0.1
93.07040	0.2
95.08596	0.3
98.97846	0.2
98.98463	2.4
99.08083	0.1
99.83451	0.1
104.10738	2.2
105.07012	0.2
107.08593	0.1
109.10170	0.3
116.74911	0.1
116.99477	0.1
119.08556	0.1
121.10145	0.1
124.99998	18.0
133.10182	0.1
143.01074	0.5
145.10077	0.1
166.02682	0.2
184.07332	100.0
185.07692	0.8
222.08977	0.1
227.12909	0.1
283.15594	0.2
306.27991	0.5
335.25909	0.2
337.27332	0.1
436.28760	0.1
496.33820	0.2
543.36639	0.2
599.49988	0.2
650.43890	10.4
651.44476	0.4
722.45514	0.2
740.46991	6.7
741.46918	0.3
745.58472	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	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01858	3.3
55.05507	11.7
57.03436	7.5
57.07069	2.3
60.08138	1.1
61.02916	1.2
65.03922	1.0
67.05501	36.5
69.03429	1.4
69.07061	10.0
70.17241	4.4
71.01348	0.8
71.04977	2.1
71.19817	0.8
72.53268	0.8
79.05488	30.6
81.03409	2.1
81.07056	38.7
83.04972	3.5
83.08611	8.5
85.02901	2.5
85.06541	1.9
86.09716	4.5
91.05475	12.7
93.07042	37.8
95.04973	7.0
95.08603	46.6
97.02879	3.5
97.06518	4.4
98.20773	0.9
99.04450	1.8
105.04476	1.1
105.06478	1.0
105.07036	10.7
106.11842	0.8
107.04295	0.9
107.04960	4.8
107.08591	26.5
109.06506	1.6
109.10158	12.2
111.04449	0.9
111.08031	1.3
117.07026	6.7
119.08583	11.0
121.06499	4.1
121.10141	16.7
123.08096	1.2
123.11696	2.9
123.22147	0.9
125.00005	3.3
125.06003	1.3
131.08559	4.5
133.10144	7.0
135.08093	1.5
135.11684	34.1
139.07568	1.2
143.08588	1.2
145.10124	19.2
147.11702	2.7
149.13289	2.9
159.11734	2.2
160.56227	0.8
161.13266	2.0
163.11182	38.3
163.14841	1.5
173.09625	1.2
173.13284	1.4
175.14716	1.2
181.12224	7.7
184.07336	19.1
187.14842	1.0
209.11766	1.5
218.19012	1.0
227.12778	45.1
243.21155	1.9
261.22183	7.8
283.15393	53.2
306.12698	1.0
317.24701	2.4
335.25793	100.0
336.26096	3.6
543.36816	87.5
544.37042	3.5
650.43408	2.1
740.45123	1.8
757.60162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01865	3.2
55.05255	1.6
55.05504	16.7
57.03432	9.7
57.07061	1.7
58.84647	0.9
65.03939	2.2
67.05502	45.8
69.03415	1.2
69.07068	14.3
71.04991	2.4
71.59715	0.9
73.02909	1.7
77.03879	0.9
79.05489	37.5
81.03403	2.4
81.07054	47.3
83.04971	3.6
83.08618	10.8
85.02894	1.0
85.06524	1.6
85.18951	0.8
86.09716	1.1
91.05479	16.0
93.07040	51.4
95.04966	7.3
95.08601	52.9
97.02890	2.8
97.06509	5.3
97.10136	2.1
98.06052	1.0
99.02479	0.9
99.04458	5.1
105.07027	11.5
107.04948	6.7
107.08591	34.3
109.06503	3.1
109.10153	12.8
111.04460	1.8
111.08045	1.4
115.50697	0.9
117.07003	9.2
119.08568	13.6
121.06516	6.3
121.10142	20.4
123.11701	3.3
125.05971	2.0
127.07582	1.1
130.07742	1.7
131.08585	4.2
133.10136	6.6
135.08029	2.6
135.11688	49.2
137.13214	1.4
139.07555	2.5
143.08583	1.7
144.65689	0.9
145.10117	29.7
146.10449	1.1
147.11647	2.0
149.13257	3.8
153.12749	1.5
159.11650	2.6
161.13263	1.9
163.11171	59.0
163.14848	2.0
164.11523	1.1
173.13283	1.6
181.12257	7.6
184.07306	2.7
203.78180	0.9
205.75391	1.0
209.11685	3.0
227.12767	71.8
235.40916	1.0
243.21089	2.7
261.22116	8.8
283.15381	100.0
284.15759	3.4
306.27881	8.8
317.24799	2.1
335.25787	88.7
336.26144	3.3
337.27307	2.4
469.33188	1.2
543.36798	85.4
544.37256	5.4
599.50098	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	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
53.96346	0.5
55.01876	5.5
55.05513	16.3
56.91232	0.5
57.03441	12.4
57.07059	1.6
57.41115	0.5
59.04975	1.5
61.02929	4.1
65.03923	1.8
67.05505	34.6
68.05836	0.6
69.03413	2.0
69.07068	9.2
69.53636	2.9
69.54045	0.9
71.01337	0.6
71.04980	3.9
71.08617	0.7
73.02910	1.4
79.05495	30.1
81.02973	0.8
81.03417	9.2
81.07057	40.1
83.01341	6.6
83.04556	0.7
83.04987	9.2
83.08157	0.9
83.08622	12.3
85.02905	6.3
85.06516	1.8
86.09708	2.6
87.04449	0.5
91.03949	1.5
91.05482	17.4
93.07043	36.0
95.04975	6.1
95.08606	28.7
97.02894	3.6
97.06537	4.7
97.10172	3.2
99.04453	1.4
99.08096	1.1
105.06310	0.6
105.07031	13.7
107.04961	5.7
107.08596	21.4
109.06521	6.0
109.09477	0.7
109.10155	11.2
111.04426	2.1
111.08045	2.5
111.31003	0.5
116.07488	0.5
117.07022	9.3
118.23348	0.5
119.08582	11.7
121.06481	1.9
121.10143	15.8
122.10470	0.5
123.08064	7.2
123.11742	3.5
124.99982	2.5
125.05970	1.1
125.09603	2.2
127.38755	0.5
129.06995	1.7
130.07762	1.2
131.08575	8.9
133.10136	7.6
135.08023	2.3
135.11694	15.3
137.09589	2.0
137.13206	1.0
139.11192	0.8
143.08545	2.0
145.06499	1.0
145.10123	16.1
147.08031	1.7
147.11720	4.6
149.09575	1.2
149.13266	4.5
151.11125	1.1
153.12737	2.4
155.08519	1.8
157.10161	0.8
159.11702	4.5
161.13237	4.1
163.11177	19.7
163.12537	1.0
163.14851	1.9
173.09633	1.7
173.13240	4.2
175.14824	1.2
177.16339	0.9
181.12221	2.5
183.11653	0.5
184.07338	10.4
185.07704	2.2
185.13240	1.1
186.07829	1.2
187.14822	2.0
189.11247	1.8
191.10657	2.3
193.12291	1.5
199.14845	0.7
209.11717	6.3
211.13278	1.3
227.12776	10.3
233.22572	0.7
241.19431	0.8
243.21109	4.6
259.20621	1.7
261.22150	12.6
267.15906	1.2
279.23221	0.9
283.15402	100.0
284.15732	3.4
285.16867	1.1
299.23596	3.3
306.27802	2.9
317.24832	3.9
333.24258	1.8
335.25800	71.4
336.26123	3.1
337.27356	0.8
433.31049	1.8
451.31949	1.9
462.24908	0.6
469.33063	2.7
487.34253	0.9
515.99738	0.8
525.35736	4.2
543.36816	49.9
544.37231	3.3
561.37805	3.4
599.50323	3.5
690.46136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01872	6.4
55.05508	22.1
57.03435	13.3
57.07071	2.1
59.04994	2.8
61.02919	6.5
65.03938	1.9
67.05502	44.6
69.03439	1.7
69.07061	11.6
69.33949	4.9
69.34378	4.4
71.04985	2.8
73.02917	1.7
76.67278	0.9
79.05489	39.8
81.03418	8.5
81.07053	51.0
83.01346	5.8
83.04975	9.4
83.08606	12.5
84.09000	0.9
85.02893	7.9
85.06556	1.8
86.09706	1.6
87.04459	1.0
91.03954	2.2
91.05476	22.1
93.07037	47.6
95.04973	7.0
95.08604	35.7
97.02873	5.8
97.06516	5.0
97.10164	4.0
99.04454	2.7
99.08055	1.5
102.12563	0.9
105.07024	18.3
107.04964	6.7
107.08593	26.7
109.06501	6.1
109.10147	17.2
111.04483	1.8
111.08089	2.4
117.07004	8.8
119.08568	14.6
119.71755	1.0
121.06500	3.0
121.10130	19.2
123.08063	7.5
123.11706	5.3
125.05987	1.6
125.09568	1.8
127.03894	0.9
129.07022	2.4
131.08562	12.4
132.58119	0.8
133.10133	10.3
135.08083	1.4
135.11681	19.9
137.09650	1.6
137.13211	1.4
139.07454	0.9
143.08537	1.4
145.06462	1.3
145.10115	17.3
147.08107	1.3
147.11665	3.2
149.13228	6.0
151.11165	1.0
153.12724	2.5
159.11665	5.2
161.13251	3.3
163.11176	20.2
163.14798	2.8
163.56900	0.8
171.11713	1.0
173.09656	3.2
173.13196	4.2
175.14874	1.2
177.16414	2.2
181.12238	4.0
184.07364	3.0
185.13187	0.9
187.14812	2.8
189.11269	2.7
191.10687	1.9
193.12231	1.3
209.11710	6.5
211.14899	1.1
227.12766	8.7
238.55119	0.9
243.21039	6.1
259.20453	1.6
261.22144	17.2
267.15726	1.5
277.21732	1.2
283.15381	96.0
284.15717	2.4
299.23621	4.2
306.27881	3.4
317.24774	5.5
333.24124	2.1
335.25781	100.0
336.26218	2.5
337.27362	2.1
433.30890	2.2
451.31964	2.9
469.33209	2.9
487.34070	1.2
525.35797	6.1
543.36786	84.6
544.37146	3.0
561.37518	3.9
599.50903	6.2
732.37109	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
53.67420	0.1
55.01862	0.5
55.05506	0.6
57.03433	0.3
63.40894	0.1
67.01860	1.1
67.05513	1.3
68.99773	0.2
69.03429	3.7
69.07070	1.0
70.14482	0.8
71.04998	0.9
77.03924	2.3
79.05486	0.9
81.03416	6.1
81.07059	1.8
83.05000	0.2
83.08612	0.3
85.02910	1.8
87.00837	0.7
89.03915	0.2
91.05473	1.2
93.07042	1.1
95.04960	1.2
95.08604	2.0
97.02889	7.8
99.04433	1.4
105.01856	0.4
105.03384	3.7
105.06300	0.2
105.07028	4.0
107.04935	0.7
107.08595	1.8
109.02877	8.3
109.10146	2.1
112.31371	0.2
116.61381	0.2
117.03419	0.4
117.07018	0.3
119.08582	3.1
121.10152	1.3
123.04424	2.2
123.11713	0.7
127.03912	100.0
128.04245	0.6
129.48944	0.2
131.08559	1.1
133.02847	15.1
133.10126	2.4
133.37772	0.2
135.04411	1.5
135.11687	0.5
139.42461	0.2
145.02812	0.9
145.04942	0.6
145.06418	0.2
145.10123	0.7
147.04424	0.4
147.07964	0.2
147.11691	3.5
148.04878	0.2
148.12440	0.2
149.13237	0.4
151.03851	0.4
153.53951	0.2
159.11708	0.5
161.02374	1.0
161.05954	0.2
161.13261	2.9
163.03902	7.2
164.04268	0.2
168.06563	0.3
169.10097	0.2
173.13284	0.2
175.14842	0.4
179.03403	4.2
181.04962	0.4
187.07603	0.2
189.05421	0.2
189.16377	1.4
201.16452	0.2
202.17252	0.2
203.07057	0.2
203.17943	12.4
204.18733	4.6
211.07393	0.2
213.03870	1.2
217.04904	0.2
221.09764	0.2
231.04839	1.0
242.72400	0.2
277.07089	2.1
287.05600	0.3
305.06555	2.8
307.08020	0.2
333.24088	0.2
337.21683	0.4
338.85684	0.2
363.07086	0.6
365.21069	1.5
381.08273	0.2
391.06473	1.0
409.07620	5.2
411.09238	2.1
527.28772	0.2
613.26508	1.1
615.79285	0.2
641.44055	0.2
754.48602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	1.7
70.34740	1.4
81.03424	4.0
82.24862	0.3
85.02917	1.8
90.94858	0.4
95.76733	0.3
97.02917	2.3
98.61002	0.4
98.97568	0.6
109.02885	17.3
112.37559	0.3
115.03925	0.5
118.08633	0.9
119.01926	1.8
127.03916	1.5
128.98656	0.4
131.01917	0.6
132.95795	0.7
137.02928	0.5
143.01894	1.0
145.03455	1.5
149.00941	4.4
149.03535	0.4
155.01875	1.1
156.04207	2.6
161.02962	2.5
167.01848	7.2
169.03494	0.5
170.99646	0.5
173.02968	1.9
174.97008	0.5
185.02965	100.0
186.03088	3.2
186.96909	0.6
187.04634	1.0
189.00754	0.5
190.03613	0.6
197.02968	1.0
198.96890	1.5
199.04572	0.7
200.04460	0.5
201.00702	1.3
203.04019	45.7
204.04213	1.2
207.01610	0.4
208.04561	4.5
209.02954	37.4
210.03154	1.1
210.96852	0.6
211.04541	2.0
215.03975	1.0
216.97913	0.8
217.05519	0.4
219.01791	1.2
221.02965	5.6
221.04967	0.5
223.04510	5.6
224.04741	0.5
225.06308	0.4
226.05545	0.8
227.04013	71.6
228.04161	2.5
233.02954	5.0
234.90009	0.8
234.99043	1.0
235.04524	4.1
237.06084	2.4
239.04024	18.6
240.04366	0.4
241.05559	4.2
245.02896	4.3
245.05119	7.9
246.05508	0.6
247.04649	1.1
249.06076	1.2
250.05603	5.0
251.04013	14.2
251.06500	0.8
252.04318	0.7
253.01823	0.8
253.02589	0.7
253.05598	11.2
257.05051	2.8
261.02792	0.7
262.05679	1.0
263.03995	18.0
264.04279	0.7
264.07431	0.5
265.05566	2.7
269.05069	8.0
271.02982	1.1
271.06635	0.6
274.05615	1.5
275.03943	4.5
277.00104	3.6
281.05057	6.1
286.05545	1.1
287.06061	0.5
291.04102	0.5
293.05035	12.0
294.05130	0.5
299.06229	0.5
305.07629	0.5
307.01215	1.5
311.06119	77.1
312.06290	2.4
315.10394	0.5
316.06720	0.5
317.05206	0.7
329.07184	33.7
330.07452	1.5
335.06107	15.6
336.06378	0.5
352.08701	1.3
353.07159	19.4
354.07504	0.9
356.30902	0.4
362.60156	0.5
371.08224	3.9
379.05096	1.6
396.62921	1.5
397.06192	21.0
398.01700	0.7
401.09311	0.5
413.09351	2.7
415.07172	4.0
491.12494	62.5
492.12939	2.9
543.12970	1.3
577.12512	0.7
581.08734	0.9
613.14221	0.5
739.17548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.5
57.07071	0.1
58.06635	0.4
59.07413	0.1
60.08164	5.6
67.05499	0.1
67.44541	0.1
70.06600	0.1
70.52098	0.2
70.52498	0.2
71.07372	2.7
71.08629	0.1
79.05509	0.1
80.97462	0.1
81.03410	0.3
81.07056	0.1
86.09704	27.3
87.10046	0.2
91.05481	0.2
93.07064	0.1
95.08566	0.1
95.23445	0.1
98.98467	2.0
104.10748	2.0
105.06994	0.1
116.99487	0.1
125.00005	17.7
143.01035	0.2
166.02705	0.1
166.09634	0.1
171.38892	0.1
174.77901	0.1
184.07338	100.0
185.07707	0.7
187.57043	0.1
267.15933	0.2
465.32620	0.1
496.34097	0.2
505.38123	0.1
688.45459	11.6
689.46588	0.4
738.50262	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	738.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01867	4.4
55.05511	7.0
56.35202	1.5
57.03428	3.2
59.04993	1.8
65.03934	2.5
67.05507	19.2
69.03435	13.9
69.07070	7.7
71.04988	5.8
71.59711	2.6
78.88135	1.5
79.05482	15.0
81.03413	21.0
81.07053	20.7
83.04975	12.5
83.08612	4.0
85.02887	5.8
85.06548	9.1
88.81794	1.8
91.05472	18.9
93.07046	31.1
95.04987	7.4
95.08604	27.1
97.02894	31.0
97.06519	10.1
99.04465	8.1
99.08128	1.9
105.07030	43.2
107.04955	8.3
107.08596	36.7
109.02879	40.4
109.06522	12.1
109.10152	39.0
111.04440	42.8
111.08078	6.2
113.05977	2.0
115.05407	2.0
117.03373	1.6
117.07020	6.7
119.04971	3.0
119.08579	61.8
121.02805	2.3
121.06521	9.4
121.10139	21.6
123.04403	5.7
123.08086	11.8
123.11717	8.1
125.05996	2.7
127.03915	82.9
128.04152	1.7
128.06175	2.5
129.07047	7.7
131.08571	21.6
133.06499	34.2
133.10127	48.5
135.04370	2.2
135.08049	17.6
135.11679	12.2
137.05991	4.1
137.09590	9.5
139.07529	4.1
142.07773	2.3
143.08557	12.2
145.02902	1.7
145.04994	5.9
145.06476	2.5
145.10127	21.8
147.08031	32.4
147.11703	6.1
149.05980	3.4
149.09636	16.6
151.11224	4.2
155.08594	3.3
156.09354	2.0
157.10112	12.6
159.08043	4.1
159.11696	10.0
161.09628	35.7
161.13283	2.0
163.03937	5.9
163.07579	3.4
163.11194	21.6
165.09113	38.9
166.07843	1.8
167.10696	5.7
169.10121	6.0
171.08057	5.1
171.11673	12.4
173.09662	6.4
173.13268	5.4
175.07564	1.8
175.11214	6.7
175.14857	1.8
177.05484	4.1
177.09126	1.8
179.10660	27.5
181.10103	7.5
183.11739	3.8
184.07320	2.3
185.09624	19.0
185.13229	5.2
187.11165	6.4
187.14833	3.3
189.09117	28.3
189.12798	2.9
191.10689	12.4
195.11700	4.7
197.09663	1.8
197.13341	2.7
199.11174	35.0
199.14909	5.6
201.09155	2.4
201.12720	3.8
203.10713	6.8
203.14297	1.4
207.10164	39.0
207.12048	2.9
209.11606	12.9
209.13451	2.7
211.11302	3.4
211.14882	3.3
213.09116	2.1
213.12726	5.2
215.10759	2.5
217.12213	17.1
219.13811	4.6
225.11206	82.3
226.11650	2.0
227.10652	2.2
227.12666	19.8
227.17883	2.8
229.12251	2.0
235.13286	6.5
237.11044	2.1
237.16365	3.2
241.12309	2.1
245.11732	2.3
251.18105	3.2
253.15938	2.1
255.13661	1.9
255.17474	3.5
259.13297	2.2
267.12247	6.8
269.19049	6.3
273.18478	2.1
279.12384	1.9
279.17419	2.9
287.16382	2.3
287.20004	4.9
295.16974	3.7
297.18500	19.8
309.18491	1.9
313.18100	9.3
315.19550	48.4
317.13843	2.4
331.19055	18.8
333.13251	11.3
333.20599	13.7
335.14819	2.1
335.26144	1.7
341.21332	2.0
351.14340	9.8
351.19244	2.4
353.16257	1.8
357.20502	7.2
369.15915	2.8
369.20581	12.1
375.21808	15.2
393.20511	2.5
395.22043	2.1
405.20639	6.8
411.21548	3.7
413.23364	3.4
423.21631	25.0
441.22742	70.5
442.23050	2.5
454.77023	1.6
459.23776	100.0
460.23776	3.1
477.24863	14.5
574.13068	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.8
56.96558	1.9
57.03437	0.8
57.07068	2.2
60.91104	0.7
67.05511	5.2
69.03428	4.4
69.07064	7.7
70.06575	0.8
70.21313	0.7
71.04989	2.0
71.59264	0.9
73.02902	0.8
79.05486	5.2
81.03381	0.9
81.07059	52.8
82.07420	1.0
83.04986	2.2
85.02908	3.1
86.09708	1.2
89.06028	2.0
91.05486	4.4
91.48878	0.7
93.07032	5.4
95.04947	1.1
95.08610	22.8
97.02891	4.2
97.06516	1.2
97.53864	0.6
98.97592	1.8
98.98463	3.1
99.04446	0.9
105.01862	0.8
105.07026	4.4
107.04969	1.6
107.08598	15.0
109.02888	1.2
109.06526	5.3
109.10167	5.7
115.05459	0.8
116.98623	1.1
117.07023	2.0
119.08585	2.9
121.02895	0.8
121.06496	1.3
121.10141	10.9
122.07264	1.3
123.08066	0.7
127.03903	1.2
131.08563	3.5
133.10133	100.0
134.10439	1.7
134.99615	0.8
135.08054	13.9
135.08995	1.2
135.11635	1.6
137.05983	2.4
137.09624	48.0
137.13258	30.0
138.13583	1.3
145.02885	2.1
145.10118	3.3
147.04401	1.7
147.11681	3.8
149.01184	0.9
149.09560	0.8
149.13261	21.1
158.10904	0.9
159.11703	3.2
160.12129	0.7
161.13275	4.1
163.03923	4.0
163.14827	2.9
173.13283	6.0
175.14851	2.5
177.05452	3.8
191.14319	66.2
192.14566	1.9
201.16370	7.8
209.15379	62.7
210.15773	1.8
219.01682	0.8
219.17412	10.4
224.92317	0.8
235.10925	8.5
236.54364	0.7
237.02869	2.5
237.18596	4.9
243.02586	0.7
245.10551	1.1
248.41734	0.8
249.06020	0.8
255.19649	1.1
258.31580	0.8
267.09012	1.6
267.67145	0.8
269.10672	0.9
285.10101	3.7
308.11252	0.8
309.07520	0.8
337.07062	2.4
371.13657	1.7
371.20676	3.4
380.31323	1.0
389.14929	1.6
398.16583	1.2
459.20184	0.7
503.18109	2.6
737.27716	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	736.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.05496	2.3
55.49956	1.1
57.03417	1.3
61.62063	1.3
67.05492	3.7
69.03436	10.0
69.07016	1.6
71.04980	3.0
71.59956	1.9
73.02894	1.2
77.02232	1.1
79.05474	4.1
81.03421	19.5
81.07066	7.8
83.04962	3.0
85.02887	2.6
91.05471	7.0
93.07060	12.4
95.04942	3.5
95.08607	7.5
95.62572	1.2
97.02888	22.7
99.04446	4.6
105.07032	14.9
107.04955	1.9
107.08602	15.9
109.02878	100.0
109.06503	6.4
109.10153	3.3
111.04441	2.9
111.08065	6.2
113.05937	1.5
117.07017	1.9
119.08575	34.0
121.06491	1.7
121.10152	14.0
123.04375	1.4
123.08073	10.9
123.11686	4.1
125.09626	79.7
127.03917	87.3
127.14616	1.1
129.06970	1.5
131.08572	2.3
133.06473	3.8
133.10126	32.4
135.08063	1.7
135.11662	4.5
137.05901	1.5
137.09581	3.6
139.07408	1.6
143.08554	6.6
145.04971	8.4
145.10077	3.5
147.08034	16.4
151.07504	1.6
151.11165	5.5
157.10120	2.3
161.06058	7.3
161.09616	21.8
163.03885	3.9
163.11159	2.8
165.09106	24.6
167.10664	1.8
179.10664	22.1
189.07578	2.0
189.09111	19.3
193.08537	7.0
207.10167	28.8
225.11200	40.4
231.54597	1.3
249.11270	2.0
259.99286	1.1
267.12134	4.3
271.16827	3.2
274.38550	1.2
289.17960	1.9
297.13498	1.4
303.19489	1.2
313.17950	2.6
315.12173	2.3
317.13806	1.6
331.18927	11.3
333.13303	7.3
349.20081	24.1
351.14462	8.1
367.20761	1.9
369.14551	1.2
380.57523	1.2
380.80597	1.3
391.21161	13.8
421.22156	2.5
439.21082	3.9
457.22226	63.9
475.23294	58.2
475.29172	0.8
475.30344	1.6
476.23434	3.2
493.24451	11.1
736.29633	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.05517	2.2
57.07076	0.7
63.02368	0.6
67.05503	2.9
68.10895	0.3
69.07067	2.6
70.08375	0.7
70.08774	0.8
77.03925	0.5
79.05499	2.3
81.03425	0.4
81.07057	4.4
83.04980	0.8
83.08622	0.8
88.87711	0.3
89.03394	0.6
89.03918	7.0
91.05480	2.6
93.07042	4.0
95.04960	1.1
95.08603	5.0
95.09164	0.5
102.54975	0.3
105.07034	11.3
106.07378	0.3
107.04961	2.1
107.08585	5.0
109.06504	0.5
109.10162	6.5
111.04422	0.5
111.08064	0.4
112.30661	0.3
115.05453	0.4
117.02608	0.6
117.03380	6.9
117.07018	0.9
119.08581	8.7
120.08892	0.4
121.10145	4.0
123.04431	0.9
123.11720	3.7
129.06999	0.5
131.04861	0.4
131.08583	1.5
133.02817	0.3
133.10126	6.5
135.04420	21.0
135.11671	1.3
137.06001	0.6
137.13271	0.4
140.68651	0.3
143.08591	0.3
145.02849	11.2
145.03998	0.6
145.06473	0.5
145.10120	1.9
146.03299	0.3
147.11690	10.7
148.12349	0.6
149.13240	1.1
157.06491	0.7
157.10120	0.6
159.08084	1.3
159.11700	1.2
160.12459	0.5
161.05994	1.1
161.13257	9.0
162.13654	0.4
163.03906	100.0
163.14888	0.5
164.04274	1.8
167.08531	0.7
173.05983	0.9
175.07527	1.4
175.14848	2.0
177.09111	0.4
179.08453	0.4
181.06493	0.4
184.07291	0.6
186.05499	1.3
187.07561	3.5
189.05447	0.9
189.09253	0.7
189.16354	3.9
191.14299	0.4
195.08057	0.5
199.07611	0.6
201.09033	1.6
201.16353	1.0
203.17961	42.7
204.18706	11.4
205.15817	0.4
209.09604	0.4
211.07503	1.1
213.05524	0.5
213.09076	0.8
215.10655	0.4
221.09599	0.4
223.11176	0.4
225.09184	0.6
227.07133	0.7
227.10724	0.7
235.11163	0.4
239.10617	0.8
241.12277	0.8
253.12320	0.4
265.12271	0.4
266.12933	0.4
267.10480	0.4
267.13812	0.7
279.13757	0.5
281.12143	0.5
281.15366	1.4
305.18906	0.4
309.14871	0.5
319.08066	1.5
319.20770	0.4
323.16409	0.6
323.20041	1.9
337.09180	2.7
337.21643	10.4
347.20248	1.5
365.21115	17.1
366.21304	0.5
497.10550	1.4
499.12250	0.9
585.22186	0.4
701.29114	1.6
736.47858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62094	0.2
53.03936	0.4
55.05511	0.6
57.07075	0.3
62.01571	0.3
63.02385	0.7
65.03932	0.2
67.05515	1.8
69.07068	1.4
71.02293	0.4
77.03922	0.3
79.05492	1.8
81.07058	2.6
83.08630	0.5
86.09702	0.5
89.03915	7.7
91.05470	1.7
93.07034	1.7
95.04971	0.5
95.08608	3.7
97.10154	0.3
104.10745	0.4
105.03380	0.3
105.07028	6.2
107.04951	2.4
107.08589	2.0
109.10152	4.4
111.04388	0.3
117.03378	8.3
117.07011	0.3
119.08578	6.1
120.08860	0.2
121.10124	1.9
123.11713	1.5
130.84549	0.2
131.08591	0.6
133.02850	1.1
133.10129	4.0
135.04413	23.6
135.11664	0.7
136.04796	0.4
145.02844	14.5
145.10101	0.8
146.03152	0.3
147.11676	5.9
148.12444	0.6
148.13612	0.2
149.13237	0.6
158.05998	0.6
159.11688	0.6
160.12454	0.3
161.13254	6.6
162.13763	0.3
163.03900	100.0
164.04236	2.6
174.14220	0.3
175.14766	0.6
184.07280	1.2
186.05482	1.1
187.07625	0.3
189.16374	3.1
203.17949	39.6
204.18707	10.5
205.19185	0.3
319.08032	1.0
337.09186	0.6
337.21118	0.6
365.21136	3.9
390.37799	0.2
473.18402	0.2
497.10825	4.1
498.11169	0.4
499.12335	1.3
520.33459	0.3
571.44623	0.3
701.28943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77502	1.3
53.03939	3.9
54.06631	1.4
55.01870	10.3
55.05514	9.1
57.03436	19.4
58.31542	1.1
59.55437	1.2
65.03931	3.6
67.05504	8.2
69.03426	10.3
69.07072	7.8
69.46989	5.2
69.47425	6.5
69.61198	1.3
71.01359	24.8
71.04990	3.7
73.02916	36.9
75.04472	4.9
79.05489	23.1
81.03435	4.1
81.07059	45.8
83.01350	2.5
83.04976	4.6
85.02908	56.5
85.06541	3.4
86.03318	1.4
91.05476	32.0
93.07046	93.6
95.01338	19.7
95.04974	16.8
95.08601	10.1
97.02892	17.4
97.06519	13.6
98.20778	2.9
99.00837	6.2
99.04459	14.3
101.02384	7.1
101.06004	3.2
103.03957	11.1
103.05466	4.6
105.04561	1.6
105.07032	72.3
106.07399	2.0
107.04957	6.0
107.08601	33.2
109.02858	1.9
109.06528	21.2
109.10098	1.6
111.08073	1.8
113.02376	21.0
115.05422	2.7
117.05473	3.0
117.07027	3.9
119.04940	5.1
119.08584	57.1
121.02842	1.4
121.06507	98.3
121.10131	3.9
122.06819	1.6
123.00801	2.7
123.04373	2.1
123.08067	2.8
125.06034	2.7
127.03902	2.6
127.07573	11.2
128.06181	4.3
129.05479	15.5
129.06961	8.4
130.07808	1.3
131.03424	12.6
131.04933	3.8
131.08546	9.2
132.05247	1.3
133.06526	9.0
133.10130	26.3
135.04424	3.1
135.08055	15.3
135.47061	1.3
137.05977	23.4
138.06352	3.7
139.07541	13.3
141.01836	34.3
141.05466	1.4
141.06995	3.0
142.07787	5.8
143.08578	18.7
145.04951	2.6
145.06506	1.8
145.10129	18.3
147.04384	6.5
147.08038	8.7
147.11691	64.5
149.06039	1.6
151.07626	1.9
153.05414	1.6
153.09038	2.1
155.08553	2.9
156.09344	9.1
157.06462	3.0
157.10120	22.8
159.02911	5.8
159.06546	2.7
159.08081	4.5
159.11702	6.0
160.08812	2.1
161.05965	2.5
161.09607	7.1
161.13254	38.9
163.07571	4.3
166.07782	2.7
167.07016	1.4
169.04976	3.8
169.10136	2.4
171.06512	4.2
171.07918	1.5
171.10242	2.4
171.11662	28.9
173.09569	3.4
173.13269	4.7
175.07578	5.0
175.11203	29.9
177.05515	3.9
181.10071	2.6
184.08919	1.7
187.06036	3.1
187.11215	2.6
189.12753	69.7
190.12959	2.1
193.08533	1.6
193.12242	2.8
194.39166	1.9
195.10164	16.5
195.11673	2.1
197.04477	2.4
199.11163	21.5
206.08907	1.5
207.13817	14.0
209.11691	1.9
213.11136	1.8
215.05504	14.1
215.10753	2.3
217.12247	100.0
233.06619	6.2
235.13257	20.3
237.11183	2.2
241.12390	2.8
253.14415	9.6
263.16415	2.5
273.14819	1.8
281.17200	1.8
287.05527	1.7
291.15921	45.4
291.19177	2.9
305.08600	2.1
309.16968	80.2
310.17438	1.6
333.17038	4.4
365.19647	12.0
383.20663	26.8
387.18213	1.9
407.20715	2.3
413.16199	2.5
431.16882	3.0
449.18066	8.3
467.19046	7.1
505.20718	3.2
523.21533	5.9
539.43335	1.3
541.22784	16.1
559.23517	6.1
735.26978	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	732.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.05512	15.9
56.05033	5.8
56.81716	1.1
57.07075	7.0
57.07305	1.3
60.04526	96.4
67.05177	2.0
67.05510	27.0
68.05018	1.7
69.07071	19.8
70.06586	2.9
71.08614	4.2
72.04522	6.8
74.06070	3.4
75.31129	1.3
79.05490	14.4
80.05029	1.7
81.03404	5.4
81.07063	21.4
82.06574	5.3
83.08622	12.9
84.08109	1.4
85.10165	2.0
86.06057	2.8
90.05541	3.4
91.05481	14.9
93.07049	15.0
94.06588	8.7
95.04974	3.7
95.07334	2.2
95.08609	19.0
96.08121	4.4
97.06497	1.4
97.10171	7.1
98.06051	2.1
98.21524	2.9
100.89904	1.4
105.07041	7.7
107.08558	5.9
107.70884	1.2
108.08114	3.4
109.06503	1.8
109.10150	5.0
119.08555	7.0
121.10139	5.3
122.09663	3.0
123.08053	1.4
123.11676	2.1
133.10106	4.8
135.11708	3.1
136.11201	1.7
147.11665	1.9
229.24750	1.7
245.22672	2.8
248.04204	1.4
250.25157	2.0
262.25281	25.6
263.23657	5.2
272.25916	3.1
280.26419	20.8
298.27460	7.1
314.26752	2.9
421.00079	1.4
516.47522	1.8
534.48938	15.0
535.48914	1.5
552.49896	100.0
553.50043	8.0
554.48651	1.4
570.50934	46.6
571.51019	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	733.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.8
57.07070	2.3
63.02374	1.1
67.05504	9.1
69.03427	1.0
69.07063	11.0
71.59840	1.9
76.94009	1.0
77.08698	0.9
79.05490	7.7
81.03393	1.5
81.07052	17.5
83.04983	3.9
83.08606	3.3
86.09674	1.6
89.03913	12.1
91.05469	8.9
93.07040	13.2
95.04971	6.2
95.08602	16.9
97.10181	1.3
105.07029	27.4
107.04945	3.6
107.08594	15.4
109.06507	2.5
109.10153	16.5
115.05455	1.7
117.03371	19.7
117.07012	3.9
119.04956	1.9
119.08577	21.1
120.63774	1.1
121.06512	1.5
121.10137	10.3
123.11710	12.9
128.06140	1.6
129.07024	4.1
131.04921	1.9
131.08551	6.1
133.10127	13.3
134.03584	2.0
135.04414	26.4
135.08026	1.3
135.11711	3.1
137.05981	7.8
141.07018	2.1
143.04869	1.9
143.08566	3.5
145.02841	41.7
145.03986	2.2
145.06473	2.4
145.10124	7.6
147.04419	2.5
147.11673	24.7
148.12335	1.3
149.05927	5.1
149.13232	5.6
151.07541	3.1
155.08536	3.8
157.06465	5.6
157.10124	2.1
158.07253	1.8
159.08035	2.4
159.11717	3.5
161.06030	1.5
161.13240	23.8
163.03900	100.0
163.14793	4.1
164.04268	2.6
165.06978	1.9
167.08592	2.7
169.10207	1.1
171.08044	2.8
171.11664	1.4
173.06021	4.1
173.09596	5.2
173.13261	1.9
175.07533	5.8
175.14804	6.6
177.05464	47.7
177.09090	3.2
179.08569	2.4
181.06473	1.6
181.10072	1.5
183.08061	7.1
184.07333	1.5
185.09644	1.3
186.05415	3.4
186.06796	4.1
187.07550	3.9
188.04790	1.8
189.09122	12.1
189.16359	10.1
191.10658	2.9
191.14320	2.8
192.66399	1.1
193.04970	4.5
193.10144	1.5
195.08035	4.7
197.05977	1.5
197.09636	2.8
199.07533	1.3
200.08386	2.0
201.09105	22.6
201.16345	5.2
203.07028	4.8
203.10651	6.2
203.17953	56.4
204.18733	19.1
205.08536	2.0
205.12094	2.1
207.08052	3.0
209.09618	2.7
211.07541	1.4
211.11137	1.2
213.09081	4.2
215.10698	13.9
217.08549	1.4
217.12207	2.0
219.08232	1.2
221.09608	3.2
221.13144	1.4
223.11134	2.6
225.09167	2.9
226.06284	1.1
227.06885	2.6
227.10675	4.8
229.12196	2.0
231.10489	1.0
233.09546	1.8
234.10271	1.3
235.11177	4.5
237.09044	1.9
237.12810	1.3
238.09941	1.2
239.10625	5.4
240.11517	1.3
241.08545	4.7
241.12227	4.3
247.11263	1.9
249.12733	3.8
251.10680	2.5
252.11449	1.3
253.12230	3.6
255.13773	3.9
261.12720	1.8
263.14285	4.6
265.12158	2.3
266.13016	1.3
267.13794	5.8
269.11685	1.6
269.15390	2.0
271.38568	1.1
279.13708	3.2
280.14420	1.4
281.15317	4.8
293.15353	4.1
295.13638	1.6
295.16891	8.2
305.15274	1.6
306.15948	1.0
308.17902	1.5
309.14890	1.0
319.08154	5.3
319.16959	1.3
319.20563	2.9
321.14978	1.4
321.18448	4.0
322.19217	1.7
323.16351	1.4
329.19159	2.2
333.09616	1.4
337.09161	11.0
337.17944	1.7
337.21558	6.5
346.19250	1.8
347.19995	2.5
349.73642	1.2
351.23187	73.5
352.23456	2.5
361.21689	5.6
364.20074	2.1
365.21054	3.7
379.22668	70.8
380.23132	1.7
503.24600	2.2
530.13684	1.1
546.02966	1.1
563.26215	3.3
715.31042	10.5
733.39417	6.0
740.87994	1.2
763.66779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89738	0.2
53.58801	0.2
56.05026	0.5
57.07047	0.2
58.06628	0.4
60.08164	5.7
64.99959	0.2
67.05488	0.2
69.60598	1.6
70.15024	0.2
71.06988	0.2
71.07372	3.1
71.30421	0.2
74.64066	0.2
79.05453	0.2
81.07042	0.3
86.06406	0.2
86.09708	30.8
98.98460	3.0
104.10744	2.0
124.09441	0.2
125.00007	19.3
143.01028	0.3
151.56961	0.2
161.50697	0.2
166.02708	0.3
172.19151	0.2
184.07343	100.0
185.07674	0.4
317.59381	0.2
381.54874	0.2
732.47974	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	732.5625
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
55.05506	7.5
56.05040	2.9
57.07069	5.6
60.04527	66.5
64.64428	1.9
65.28532	2.2
67.05512	13.4
69.07072	11.2
71.08624	2.0
71.59115	2.7
72.04507	4.1
74.06026	2.5
79.05489	7.0
80.56809	2.2
81.03428	3.8
81.07062	15.9
82.06594	1.9
83.08611	8.8
86.06064	2.4
90.05576	2.7
91.05480	5.8
93.07027	9.2
94.06587	4.2
95.08604	11.8
97.10134	5.1
98.06062	2.0
105.07025	5.9
107.08562	3.3
109.10150	4.8
111.11649	2.2
112.84506	2.1
119.08556	6.6
121.10154	3.8
122.09643	2.2
123.11734	3.1
133.10112	3.3
135.11703	2.5
137.09705	2.2
147.11659	4.4
184.96953	2.2
250.25304	2.5
262.25339	29.7
263.23642	2.8
272.25992	2.7
280.26340	22.3
298.27310	7.4
314.26901	2.6
316.89764	2.5
516.47662	3.0
534.48822	16.0
552.49908	100.0
553.50116	5.1
570.50946	45.6
571.51190	2.5
612.97974	2.1
732.44159	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16727	0.1
55.05503	0.2
56.05034	0.6
58.06377	0.2
58.06635	0.5
60.08168	5.7
60.79774	0.1
67.05496	0.5
70.16096	0.6
71.07375	2.9
78.89622	0.1
79.05479	0.2
81.07053	0.4
83.05017	0.1
86.09711	29.1
86.51394	0.1
91.05478	0.4
93.07037	0.4
95.04965	0.2
95.08591	0.3
98.98471	2.3
98.99085	0.1
100.99289	0.1
104.10750	2.0
105.07056	0.2
109.10153	0.2
116.99551	0.1
119.08588	0.2
121.10163	0.2
125.00011	19.5
131.94756	0.1
135.11758	0.2
143.01099	0.3
143.61687	0.2
166.02660	0.2
184.07350	100.0
185.07698	0.7
242.76779	0.1
327.29553	0.2
335.25754	0.2
364.93250	0.2
468.23462	0.4
489.36923	0.2
533.37500	0.3
712.45508	0.2
730.46558	6.7
731.46423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01869	0.8
55.05514	1.0
57.03431	1.3
59.05000	0.5
61.02640	0.3
61.02929	3.8
67.05504	2.2
69.03432	2.4
69.07072	1.0
71.01357	0.6
71.04992	1.7
71.59826	0.3
71.60262	0.4
73.02917	2.6
75.04474	0.3
79.05492	2.2
81.02974	0.5
83.04978	1.8
83.08620	1.6
84.08153	0.3
85.02908	5.5
85.06557	0.4
87.04454	0.5
91.03947	2.7
91.05476	3.5
93.07042	2.1
93.07565	0.3
95.04977	2.0
95.08605	1.4
97.02890	3.8
97.03436	0.3
97.06532	1.4
99.04460	0.8
101.02366	1.6
103.03949	0.4
103.05448	0.5
105.07020	2.7
107.04960	0.9
107.08570	1.2
109.02895	1.1
109.06557	0.7
109.10191	0.3
111.04459	0.9
111.08102	0.6
112.77908	0.2
115.03976	0.4
115.05489	0.2
117.07061	0.2
119.04964	0.7
119.08568	1.7
121.10133	1.8
123.08040	0.3
127.03933	3.1
129.05525	0.4
129.07050	1.1
129.10196	0.2
129.38179	0.2
131.04967	0.7
131.08569	1.8
133.06532	0.6
133.10162	1.1
135.11714	0.5
137.06059	0.6
137.09665	0.3
145.02893	0.2
145.05023	0.5
145.10147	0.3
147.04424	2.7
147.08049	0.4
147.11728	1.7
149.09605	2.1
157.10129	1.4
161.06032	0.4
163.07544	0.5
165.12796	0.5
167.07045	0.3
175.11174	1.3
177.05452	0.4
179.07088	0.9
185.04239	0.6
191.07027	1.8
193.08650	0.4
193.12262	2.7
197.15506	0.3
203.05293	0.5
211.13283	1.3
224.33916	0.2
233.11441	0.3
243.08418	2.5
251.12662	1.0
267.16031	1.0
283.15204	3.7
283.18115	0.4
285.17111	0.3
307.15237	0.6
311.12808	0.3
339.17761	1.2
354.99088	0.2
355.15549	0.4
451.83609	0.3
469.20422	10.2
470.21191	0.4
501.23065	11.3
549.30579	0.3
567.31561	0.7
639.29736	0.4
729.36646	100.0
730.37115	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	729.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01870	0.7
55.05512	1.9
57.07076	1.8
65.03928	0.3
67.05504	5.1
69.03426	3.6
69.07072	5.0
69.36246	2.9
71.08640	0.7
73.02930	0.4
79.05495	4.2
81.03412	0.6
81.07059	44.7
82.07383	0.7
83.04984	3.7
83.08627	0.5
85.02915	2.4
86.09707	0.5
90.78397	0.3
91.05489	2.0
93.07054	3.9
95.04977	0.6
95.08611	22.1
96.08936	0.4
97.02888	2.5
97.06548	1.1
97.10168	0.3
98.98463	1.9
99.08096	5.8
103.05442	0.5
105.07031	3.9
107.04945	1.8
107.08601	6.6
109.02898	0.7
109.06525	2.1
109.10161	3.1
111.04449	1.7
111.08098	1.2
115.05471	0.5
117.07018	1.0
119.04940	0.6
119.08566	4.1
121.06506	2.4
121.10157	3.5
123.08081	2.5
123.11711	0.8
125.06024	0.9
125.09676	0.3
127.03934	1.6
129.06990	0.4
131.04939	0.5
131.08585	1.4
133.06497	1.4
133.10133	3.5
135.08055	22.9
135.11699	1.1
136.08438	0.3
137.05981	1.3
137.09637	4.2
137.13254	19.4
138.13606	0.5
139.07607	0.8
143.08583	1.4
145.06416	0.5
145.10129	2.6
147.04430	1.3
147.08107	2.4
147.11684	2.8
149.06007	0.6
149.09610	2.8
151.07507	0.6
151.11183	0.3
153.05421	0.4
153.09097	0.7
156.09464	0.3
157.06581	0.3
157.10114	2.2
159.08159	0.8
159.11670	1.6
161.05968	0.6
161.09654	2.1
161.13277	1.1
163.07561	0.6
163.11191	1.5
163.14856	0.4
165.09091	0.7
167.07066	0.6
169.10150	0.4
171.08034	0.5
171.11710	2.5
173.09634	1.0
173.13266	1.1
175.07509	0.3
175.11198	2.2
175.14795	0.9
177.05524	0.5
177.12776	1.0
179.10698	0.7
181.10220	0.4
181.12202	0.3
183.11749	0.5
185.09663	1.1
185.13290	1.2
185.62250	0.3
187.11215	1.0
187.14806	0.7
189.09181	0.6
189.12755	2.3
189.16451	0.4
191.10678	0.3
193.12315	0.4
195.11732	0.5
197.13289	0.5
199.11163	2.1
199.14841	0.5
201.12856	0.6
203.10640	0.4
203.14328	1.0
205.12329	0.4
205.15936	0.4
209.13319	0.5
211.14801	0.3
213.12709	1.8
213.16295	0.3
215.10684	0.3
217.12247	3.8
219.17554	0.3
225.11154	1.0
227.17914	0.4
231.13852	1.0
235.10925	2.1
235.13326	1.8
237.16409	0.7
241.12134	0.5
241.19495	0.5
249.08846	0.3
249.14944	0.3
251.17957	0.6
255.17522	1.1
259.90076	0.3
269.19043	1.2
273.18735	0.7
285.18369	0.4
287.20142	0.9
297.18564	1.8
315.19513	3.9
317.21066	0.6
333.20609	100.0
334.21042	2.7
339.12439	0.4
351.21652	2.6
374.23288	1.5
441.22766	0.6
495.25870	1.8
566.72833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02851	0.2
67.05459	0.4
69.03393	0.5
71.33227	0.4
71.33554	0.3
75.09626	0.2
79.05430	0.3
81.06992	0.4
83.04916	0.6
85.02844	0.7
91.05442	0.3
93.06986	0.3
95.04915	0.5
95.08527	0.7
97.02821	0.7
97.06466	0.7
105.06966	0.3
107.08535	0.4
109.02788	0.5
109.10112	0.3
111.04383	0.7
119.08525	0.3
120.01763	0.7
121.02596	0.3
121.10074	0.5
127.03931	1.3
131.04895	0.3
134.04660	0.2
137.05911	0.6
138.02826	0.3
147.04338	0.6
161.05870	0.3
167.03203	1.6
173.13272	0.3
173.14731	0.2
176.15059	0.2
189.05238	1.1
191.07048	0.5
202.70370	0.3
203.68517	0.2
206.72015	0.3
219.06279	2.2
233.07845	0.4
234.08621	13.4
235.09412	9.6
263.08948	4.6
276.12030	0.4
277.10330	0.3
295.11536	7.3
355.15424	0.4
379.13623	3.3
391.13412	0.3
421.14975	0.3
465.17276	1.4
469.20575	0.5
476.20163	0.5
477.20990	1.6
493.20209	0.5
501.23346	0.4
507.22028	79.0
508.22351	2.8
517.24567	0.4
603.22675	0.4
604.24988	0.5
639.29865	0.5
729.34570	100.0
730.34930	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	729.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01876	0.6
55.05511	1.4
57.07070	1.6
61.02956	0.3
65.03932	0.4
66.35481	0.3
67.05502	4.7
69.03425	2.3
69.07069	5.3
70.06592	0.7
71.04984	0.4
71.08622	0.4
79.05499	3.7
81.07059	37.3
83.04980	3.7
83.08633	0.8
85.02902	3.0
91.05485	2.9
93.07040	3.9
95.04980	0.8
95.08607	20.1
97.02895	3.2
97.06519	1.3
97.10155	0.4
98.98459	1.9
99.08094	5.6
103.05453	0.3
105.07030	3.5
107.04938	1.6
107.08595	7.1
109.02886	0.4
109.06526	2.1
109.10168	3.0
111.03794	0.3
111.04428	1.4
111.08118	0.7
117.07039	0.9
119.08582	3.6
121.06515	2.7
121.10139	3.0
123.08069	3.0
123.11716	0.9
125.05966	0.5
125.09601	0.5
127.03932	0.9
129.06984	0.5
131.08589	1.1
133.06499	0.7
133.10135	2.7
135.08057	22.3
135.11703	1.2
137.05988	0.8
137.09641	3.2
137.13257	18.0
138.13577	0.3
139.07555	0.6
139.11159	0.5
141.07022	0.3
142.07825	0.4
143.08546	1.0
145.04990	0.3
145.10110	2.1
147.04443	0.9
147.08064	1.7
147.11705	2.4
149.05971	0.4
149.09627	2.0
151.07559	0.8
151.11215	0.3
153.09137	0.8
157.10138	2.0
159.08081	0.8
159.11699	2.0
161.09598	1.4
161.13272	1.2
163.03896	0.9
163.07594	0.4
163.11180	2.0
165.09149	1.0
167.07066	0.5
169.10110	0.7
170.10922	0.3
171.08090	0.4
171.11668	2.5
173.09665	1.2
173.13277	1.2
175.11198	2.6
175.14795	0.6
177.12737	0.8
179.10695	0.5
181.10063	0.5
181.12346	0.4
183.11690	0.3
185.09673	0.7
185.13206	1.8
187.07544	0.3
187.11235	1.2
187.14874	0.6
189.09140	0.4
189.12747	2.2
191.06993	0.3
193.12366	0.5
195.11711	1.0
197.13274	0.4
199.11191	1.9
199.14832	0.7
201.12796	0.8
203.10648	0.6
203.14334	1.1
205.12294	0.3
209.13306	0.3
213.12862	1.3
215.14424	0.5
217.12256	3.8
219.13887	0.3
227.18033	0.4
230.11993	0.5
231.13893	1.1
235.10921	1.8
235.13316	1.5
237.16457	0.8
241.19614	0.4
245.11832	0.4
249.14987	0.4
251.18048	0.6
255.17456	1.1
259.13232	0.3
269.19058	1.1
273.18448	0.9
277.14575	0.3
279.17310	0.4
287.20303	0.4
297.18451	1.5
315.19583	3.1
324.53821	0.3
333.20605	100.0
334.20905	2.0
351.21652	3.4
374.23502	1.3
435.57593	0.3
441.22565	0.4
459.23413	0.4
495.25912	2.5
522.30402	0.3
729.23944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.4
57.07065	0.2
58.06597	0.4
60.07879	0.4
60.08164	5.4
65.03942	0.2
67.05491	0.9
71.07369	2.5
71.08616	0.3
71.59425	0.3
72.78355	0.2
79.05464	0.3
81.07037	0.7
86.09703	28.1
89.79854	0.2
91.05518	0.2
93.07031	0.4
95.08597	0.5
97.10158	0.2
98.98475	2.4
104.10738	2.4
107.08605	0.6
109.10157	0.5
117.94482	0.2
119.08501	0.3
121.10168	0.3
125.00005	18.6
143.01086	0.3
166.02626	0.4
184.07336	100.0
185.07780	0.2
271.15668	0.2
441.62872	0.2
456.66141	0.2
466.22360	0.2
728.44958	8.8
729.45398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
54.80728	0.5
55.01875	1.2
57.03415	0.7
61.02932	0.8
65.03600	0.9
65.03941	11.2
66.04726	0.6
67.05497	1.6
69.03445	4.0
70.06602	0.6
70.91909	1.5
75.04478	0.7
77.03918	0.7
78.04707	0.8
79.05497	4.1
81.03421	2.4
81.07058	2.0
82.04200	2.4
85.02910	6.6
89.03913	1.1
91.05490	6.6
93.03403	3.1
93.07078	0.9
93.53200	0.5
95.01333	1.5
95.04970	3.1
95.08640	1.1
97.02892	3.2
97.06540	1.6
102.20082	0.5
103.05475	6.7
105.03410	0.7
105.04524	0.7
105.07046	5.9
106.04176	0.8
107.04952	7.6
108.02101	1.1
109.02889	1.7
109.06522	0.7
110.03665	12.4
111.04453	20.7
115.05479	3.6
116.06171	0.6
117.03424	1.1
117.06987	1.2
118.04175	1.4
119.04945	7.0
119.08597	1.8
121.02889	1.3
121.06486	1.5
122.03651	1.0
123.04424	2.7
124.05209	1.8
125.06004	16.4
127.03934	2.1
128.06218	2.4
129.07010	4.1
130.04158	0.8
131.04938	11.8
131.08534	0.8
132.05701	2.1
133.02834	2.2
133.06496	5.4
134.03661	0.8
135.04427	0.8
136.05237	1.0
137.05986	27.0
137.13272	0.8
138.03134	1.5
141.06960	0.9
143.04950	1.2
144.05742	1.2
145.02797	0.6
145.05168	0.8
145.06503	2.1
146.03535	0.6
147.04419	13.0
147.08037	1.6
149.05994	2.1
151.03909	2.2
151.07574	2.5
152.04671	0.9
153.05473	78.8
154.05858	1.1
155.04919	1.3
157.06516	1.1
159.08080	5.5
160.05234	1.3
161.06018	6.1
162.06761	1.0
163.03902	0.6
163.07549	12.3
165.05644	1.0
165.07040	1.7
167.07053	40.6
171.04405	1.3
171.08008	0.7
172.05231	1.7
173.06018	0.8
174.06818	0.7
175.07567	11.7
177.05492	4.3
178.07797	2.1
179.07057	7.2
181.04990	1.0
181.08673	1.5
184.05301	0.7
185.05991	2.2
186.06805	2.7
187.07545	11.6
189.05482	5.5
189.07014	1.7
189.08916	0.5
190.06331	0.6
190.07741	2.9
191.07254	4.0
191.08476	4.4
192.09253	0.7
193.06551	1.1
193.08640	0.6
194.07242	1.0
195.08067	0.9
198.06793	1.7
199.07555	7.3
201.05507	1.1
202.07819	3.6
203.07063	0.9
203.08574	4.2
204.09344	0.7
205.06581	3.2
205.08376	0.8
205.10338	0.8
206.07263	3.1
207.06509	1.9
207.08076	2.0
208.08841	1.4
209.08000	0.8
211.07520	0.7
214.06433	0.6
215.06866	2.8
215.08777	1.2
216.07779	8.4
216.09642	0.8
217.06461	1.5
217.08488	0.9
218.07275	5.8
219.08081	9.5
220.08849	5.1
221.06087	2.6
221.09622	3.6
223.07581	1.5
223.11076	0.7
229.06502	1.0
229.08626	9.3
230.07283	0.8
231.08035	3.8
232.08830	2.4
233.06119	3.0
233.09688	3.5
234.06790	4.0
235.07555	6.5
236.08311	6.1
237.09100	2.7
238.06183	0.8
239.07124	1.3
241.08731	0.7
243.08086	1.2
245.05956	1.8
246.06738	2.9
247.07545	7.4
248.08357	5.2
249.05574	1.4
249.09105	6.8
250.06299	1.7
250.09851	2.0
251.07088	1.7
251.10693	12.0
252.07698	1.1
253.08588	1.6
258.06894	0.8
259.07516	2.4
260.08310	2.1
261.05463	2.0
261.09006	4.0
262.06345	1.7
262.09933	1.0
263.06995	4.3
263.10626	3.0
264.07843	10.8
265.08585	10.5
266.09372	1.6
267.10120	1.0
268.10953	0.8
273.05701	0.8
273.09061	1.0
274.06155	0.9
275.07086	3.0
276.07864	10.1
277.05551	0.8
277.08606	6.9
278.06296	0.7
278.09387	6.0
279.06952	1.0
279.10129	8.1
279.13104	1.0
280.07303	1.0
280.10986	1.8
281.08170	2.3
281.11780	3.6
288.07834	1.7
289.08514	4.2
290.06116	0.9
290.09399	2.2
291.06546	1.6
291.10178	4.5
292.07321	3.3
292.10651	1.1
293.08109	5.5
293.11649	2.1
294.08932	1.4
295.09882	1.2
296.10364	0.8
303.06683	1.0
303.10199	1.0
304.07376	2.3
305.08145	2.9
305.11395	0.9
306.08926	2.8
307.09665	35.9
308.10391	8.1
309.08002	0.9
309.11255	5.4
311.12985	3.2
319.09653	10.0
320.10242	2.6
321.07599	1.1
321.11172	6.0
322.12042	1.0
323.09253	1.0
323.12753	5.8
324.09900	1.8
324.13303	0.9
325.10968	0.7
326.11578	0.9
336.09967	1.4
337.10669	2.9
337.14362	0.8
339.12289	100.0
340.12778	3.1
341.13885	8.4
351.12292	30.2
352.12860	2.1
353.13766	6.1
357.13177	0.7
367.15604	0.8
369.13434	3.1
481.16541	0.8
495.18341	1.4
499.17526	5.9
501.19171	0.8
549.21240	0.6
585.63873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.2
56.05022	0.6
57.03421	0.1
58.06597	0.3
60.08164	6.6
62.29095	0.1
67.05505	0.8
69.69904	1.1
71.07374	2.7
79.05507	0.4
81.03413	0.2
81.07051	0.5
84.50762	0.1
86.09704	29.9
91.05484	0.3
93.07048	0.4
95.08585	0.4
97.65302	0.1
98.97855	0.2
98.98466	3.0
104.10740	2.2
105.07053	0.3
107.08598	0.3
121.10134	0.2
125.00002	18.9
133.10100	0.1
143.01053	0.5
163.11180	0.2
166.02687	0.4
184.07339	100.0
185.07713	0.5
267.03308	0.1
271.15356	0.5
335.25809	0.5
469.74713	0.2
531.36566	0.5
728.44885	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	728.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69979	0.1
55.05494	0.2
56.05028	0.7
58.06617	0.5
60.08160	6.3
67.05499	0.5
71.07368	3.7
71.59241	0.2
73.28305	0.1
79.05486	0.3
80.72240	0.1
81.07045	0.5
83.08578	0.2
86.09702	32.6
91.05460	0.1
92.34523	0.1
93.07035	0.2
95.08603	0.3
97.10117	0.1
98.98459	2.7
104.10736	1.8
124.99998	20.9
143.01019	0.5
163.01581	0.1
166.02711	0.3
184.07329	100.0
185.07661	0.4
190.56847	0.1
208.12524	0.1
321.45676	0.1
419.73901	0.1
545.38434	0.2
728.44867	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	727.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01880	0.6
55.05514	0.9
57.03439	1.4
59.04998	0.7
61.02925	3.6
65.03953	0.2
67.05502	2.0
69.03437	2.1
69.07078	0.6
71.01358	0.4
71.04990	1.5
71.60429	0.2
71.60815	0.3
73.02918	2.9
78.19978	0.2
79.05493	2.6
81.03422	4.1
81.07063	3.1
81.48823	0.2
83.01366	0.5
83.04996	1.4
83.08620	0.9
85.02905	5.1
85.06551	0.4
87.04479	0.7
91.03951	2.3
91.05488	2.9
91.76309	0.2
93.07050	2.2
95.04972	1.9
95.08615	1.3
97.02889	3.9
97.06525	1.3
97.10149	0.2
99.04439	1.1
101.02370	1.3
103.03962	0.3
103.05439	0.2
105.07044	2.2
107.04993	0.6
107.08590	1.9
109.02914	0.9
109.06544	0.7
109.10176	0.7
111.04453	0.9
111.08100	0.7
115.03932	0.3
117.07034	0.7
119.08580	1.8
121.06492	0.5
121.10154	2.1
123.08091	0.9
127.03909	1.7
129.07030	0.9
131.08566	1.4
133.10117	1.1
134.07175	0.2
135.11737	0.9
137.06062	0.5
137.09721	0.3
142.07846	0.2
145.04929	0.2
145.10139	1.0
147.04443	0.3
147.08109	0.6
147.11687	1.1
149.09633	1.8
151.07654	0.3
157.10120	1.0
161.06070	0.3
163.03920	0.3
163.11195	1.7
165.09178	0.4
165.12796	0.3
173.09772	0.3
175.11278	0.5
177.05476	0.3
181.12387	0.5
185.04327	0.8
191.10684	0.3
193.12317	1.0
197.15482	0.3
205.04681	0.5
207.10262	0.3
209.11826	0.8
225.14967	0.5
227.12881	0.3
233.04265	0.4
243.08385	2.3
243.10332	0.2
249.11067	0.5
250.08171	0.4
251.09071	0.3
267.16028	0.7
276.13495	0.2
283.15216	3.9
295.11694	0.6
339.17966	0.8
387.35690	0.3
412.96976	0.2
441.21301	0.3
448.27954	0.7
467.18918	8.5
469.20575	0.5
478.49039	0.3
499.23004	1.2
501.23120	9.1
502.23669	0.3
523.21698	1.9
565.29565	0.5
727.35040	100.0
728.35370	8.3
754.33429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.3
65.47193	0.3
67.05444	0.5
67.59525	0.3
69.03374	0.5
69.07024	0.4
70.65685	0.3
70.66029	1.0
70.93903	0.3
79.05445	0.5
81.03355	1.1
81.06995	1.2
83.08564	0.3
85.02862	0.7
89.03907	0.5
89.26943	0.3
91.05416	0.8
93.06977	0.7
95.04942	0.6
95.08571	0.7
97.02830	0.9
103.05464	0.3
105.07039	1.4
107.04906	0.5
107.08569	0.3
109.02804	0.8
111.04395	0.5
117.03329	0.7
117.07034	0.3
118.07240	0.3
119.08528	0.7
120.01787	0.9
121.02605	0.3
123.07985	0.3
125.09495	0.3
127.03835	0.8
131.04840	0.6
133.06430	0.9
137.05911	1.1
138.02803	1.0
142.21039	0.3
143.08415	0.3
145.02832	3.4
147.04314	0.4
147.11581	0.3
149.05887	0.8
159.07695	0.3
161.05891	1.2
163.03828	0.9
167.03159	1.9
167.07002	0.3
169.04747	0.4
175.07562	0.3
177.05478	13.1
179.14119	0.3
181.04909	0.3
186.05447	0.4
189.08919	0.5
193.08440	0.4
217.04745	1.7
225.11183	0.7
232.07086	15.9
233.07864	5.6
261.07373	1.5
261.97153	0.3
274.10382	0.4
295.11563	9.1
316.50278	0.3
369.12064	0.5
377.12073	2.0
463.15588	1.1
474.18564	1.8
475.19388	1.2
486.43323	0.4
505.20493	63.7
506.20663	1.9
517.24030	1.3
727.33038	100.0
728.33502	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	727.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51331	0.3
59.38956	0.2
67.05466	0.2
71.10492	0.6
76.36043	0.2
79.05424	0.3
81.03347	1.0
81.07010	0.4
83.04942	0.5
87.41351	0.3
89.03934	1.7
91.05428	0.4
95.04905	0.4
96.70944	0.3
97.02911	3.0
100.06375	0.3
105.07002	0.4
107.04908	0.3
109.02795	0.9
111.04395	0.5
117.03394	5.1
120.01877	1.3
121.02589	0.4
127.03928	3.1
134.03635	0.3
135.04407	0.4
136.30296	0.3
137.05913	0.4
138.02794	0.6
139.03574	0.3
145.02855	13.4
146.03215	0.5
149.05988	2.2
167.03162	2.2
169.04726	0.5
177.05482	28.6
178.05833	1.4
181.06369	0.3
186.05450	0.5
191.03142	0.4
205.43631	0.3
215.06830	0.5
217.04755	1.7
231.06232	0.4
232.07080	15.0
233.07854	5.7
241.08495	0.5
261.07425	2.0
273.09601	0.4
274.10611	0.3
285.07584	0.3
286.07892	0.3
295.11542	9.5
303.08713	0.3
377.12073	2.4
463.15771	0.9
474.18796	1.5
475.19562	1.0
505.20493	63.5
506.21054	1.7
517.24225	1.0
601.15015	1.3
602.22888	0.6
666.96887	0.4
727.33026	100.0
728.33331	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	727.33
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77488	0.2
55.05480	0.5
57.03375	0.2
59.55835	0.2
60.45769	0.2
67.05435	0.8
69.03384	0.4
69.07021	0.3
71.04955	0.3
71.59800	0.4
79.05450	0.5
79.78447	0.2
81.03339	0.8
81.06993	0.8
83.04917	0.5
83.08534	0.3
85.02822	0.6
86.09626	0.2
91.05420	0.4
93.06948	0.6
95.04891	0.5
95.08566	0.4
97.02818	0.6
97.06457	0.7
103.05386	0.3
105.06934	0.6
107.04919	0.3
107.08558	0.5
109.02839	0.4
109.10109	0.6
111.04424	0.3
119.08495	0.4
120.01757	0.7
121.02643	0.3
121.06425	0.3
121.10037	0.4
125.09573	0.3
127.03844	0.7
128.79713	0.2
129.51073	0.3
131.08531	0.3
135.04343	0.2
137.05904	0.8
137.06831	0.2
138.02808	0.4
146.06946	0.5
147.04338	0.3
147.11633	0.3
149.09572	0.3
151.07469	0.3
157.10036	0.2
161.05984	0.3
161.09515	0.3
163.03835	0.5
167.03209	1.4
167.06941	0.6
169.04666	0.4
175.07513	0.3
177.05380	0.7
181.04901	0.3
189.05266	1.2
191.06956	0.4
193.08618	0.2
193.12228	0.4
194.12508	0.2
211.13171	0.4
212.13617	0.3
215.07050	0.3
219.06316	1.9
225.11160	0.3
232.07004	0.3
233.07784	0.6
234.08649	11.0
235.09433	8.4
235.11798	0.4
247.09402	0.3
252.09624	0.2
253.10486	0.3
259.09601	0.3
263.06549	0.3
263.08948	4.1
295.11557	5.7
307.09494	0.2
377.12155	0.3
379.13678	3.2
391.13690	0.3
405.57635	0.2
421.14465	0.3
440.27490	0.3
465.17407	1.4
467.53256	0.2
476.20169	0.6
476.26773	0.2
477.21048	1.3
493.20547	0.5
494.28278	0.4
507.22049	75.9
508.22430	1.8
515.22321	0.4
603.24359	0.4
604.24426	0.8
702.74512	0.3
727.33014	100.0
728.33582	3.4
748.51807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2079
Annotation	Helieianeoside A
Peak:m/z	Relative Intensity
53.03923	0.3
55.01860	0.3
57.03437	1.5
61.02901	0.2
67.87511	0.2
68.96956	0.2
68.99797	0.2
69.03424	1.1
69.96911	0.9
71.04993	7.8
73.02899	0.4
75.04462	0.3
81.03402	0.5
83.04961	0.6
85.02906	11.4
86.03208	0.1
87.04450	0.6
91.03965	0.2
97.02887	1.2
99.04443	0.3
109.02822	0.4
111.00757	0.5
111.04418	0.5
115.03922	0.2
121.02883	1.2
127.03928	0.7
129.05479	2.3
131.52397	0.1
133.02846	0.2
133.04926	0.3
137.02338	0.3
145.04936	0.5
147.04384	0.3
147.06525	0.9
153.01816	1.6
165.01851	1.0
169.44794	0.1
171.04503	0.2
183.02907	0.2
185.05843	0.2
213.05452	0.6
219.08647	0.2
231.06456	0.4
241.04938	0.6
258.05225	0.5
259.06082	0.4
269.04871	0.2
287.05493	100.0
288.05829	3.5
329.06577	0.2
419.09723	31.8
420.10104	1.4
449.10675	0.2
581.14874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05027	0.4
58.06365	0.2
58.06607	0.5
58.50007	0.2
59.07374	0.2
60.08163	5.6
67.05513	0.6
69.07063	0.3
71.07371	2.8
71.58582	0.2
71.58977	0.2
79.05489	0.3
81.07053	0.8
83.08565	0.2
86.09706	28.7
87.10034	0.3
91.05493	0.4
93.07053	0.2
95.08591	0.5
98.98473	2.1
104.10757	1.9
105.07026	0.3
107.08603	0.2
109.10137	0.3
121.10152	0.3
125.00005	17.8
141.54541	0.2
143.01039	0.6
166.02591	0.2
178.66782	0.2
184.07339	100.0
185.07669	0.7
301.21555	0.2
307.94125	0.2
688.45471	10.1
689.46075	0.3
706.44788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67770	0.2
65.92849	0.3
67.05464	0.4
67.40184	0.2
69.03393	0.3
69.06978	0.3
69.37959	2.6
79.05447	0.3
81.03333	0.7
81.06976	1.0
85.02863	0.5
89.03838	0.4
91.05404	0.8
93.06962	0.5
95.04913	0.4
95.08552	0.4
97.02834	0.7
97.55676	0.3
103.05357	0.3
105.06982	0.6
107.04918	0.4
107.08505	0.5
109.02780	0.7
117.03296	0.3
119.08515	0.4
120.01813	1.4
121.02563	0.5
121.38896	0.2
125.09537	0.3
127.03822	0.8
133.10036	0.4
135.04298	0.5
135.08038	0.4
135.11639	0.3
137.05856	0.8
138.02786	1.0
145.02769	0.5
146.06932	0.4
147.04280	0.4
151.07387	0.3
153.05344	0.3
161.05888	0.6
161.09534	0.3
163.03908	3.7
167.03152	1.8
167.07013	0.6
169.04628	0.7
175.07368	0.3
177.00719	0.3
177.05348	0.5
189.08830	0.3
192.07765	0.3
193.08554	0.6
215.06750	0.4
217.04680	2.2
227.52657	0.2
231.06238	0.4
232.07057	17.7
233.07831	6.7
238.58562	0.2
253.06668	0.3
261.07370	1.5
273.09610	0.6
274.10440	0.5
295.11526	9.0
296.12115	0.3
377.12057	2.2
391.13333	0.4
407.12958	0.4
463.15616	1.2
474.18649	2.4
475.19534	1.5
491.19434	0.3
505.20428	74.5
506.20685	2.4
515.22443	0.7
601.22852	0.4
602.23102	1.0
725.31378	100.0
726.31665	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97765	8.9
53.16545	7.4
55.05509	23.7
57.03433	20.5
61.02896	7.6
67.05505	63.9
69.07064	13.5
70.01174	17.6
70.01596	27.8
75.10265	7.6
78.32761	8.2
79.05492	43.1
81.03419	82.4
81.07058	59.2
83.08612	25.7
83.36056	8.2
83.40752	6.7
91.05477	30.5
93.07035	49.3
95.04987	27.5
95.08624	46.4
105.07012	29.8
107.04948	12.0
107.08603	19.9
109.10169	27.8
111.08096	8.3
115.94695	7.8
119.08556	18.2
121.10135	14.4
131.08557	21.0
133.10173	19.3
135.11711	12.7
145.10110	12.0
147.11729	10.9
157.10085	10.9
184.07362	8.5
193.12254	24.3
223.54155	8.6
257.77338	8.8
261.22211	19.2
267.15939	100.0
335.25717	81.4
481.74811	8.6
527.37421	47.2
545.38208	33.4
595.46967	10.9
627.45270	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	724.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01874	2.6
55.05259	0.8
55.05511	8.8
57.03436	10.7
61.02917	0.8
65.03932	0.9
67.05505	16.7
67.54061	0.5
69.03427	3.0
69.07075	3.7
69.45536	2.1
69.45959	2.5
71.04998	3.7
73.02908	0.9
79.05492	15.9
81.03417	73.2
81.07053	17.9
83.04980	9.1
83.08619	18.5
84.47952	0.5
85.02905	9.2
85.06554	1.5
91.05481	21.8
93.07040	11.7
95.04972	23.2
95.08610	7.6
97.02910	3.6
97.06509	2.6
97.10168	5.1
99.08099	0.8
105.07023	16.5
107.04953	8.4
107.08599	6.8
109.02881	0.7
109.06511	3.6
109.10151	4.0
111.04442	2.5
111.08086	8.9
113.05965	0.8
115.05447	1.4
117.07011	2.3
119.04927	1.2
119.08577	14.5
121.06506	3.4
121.09290	0.9
121.10134	7.1
123.04472	0.9
123.08091	3.0
123.11709	0.9
125.09613	3.4
127.03975	0.9
127.07516	0.6
128.06276	0.6
129.06995	11.5
131.04893	0.7
131.08548	9.6
133.06511	3.3
133.10123	7.4
135.08061	1.4
135.11691	1.0
137.09642	1.7
141.06969	0.6
142.07761	2.5
143.08582	1.2
145.06482	4.0
145.10123	2.2
147.08041	4.7
147.11682	10.7
149.09633	5.7
153.06952	0.5
153.09175	0.5
155.08537	0.8
157.06511	0.7
157.10138	11.1
159.08144	0.7
159.11690	0.6
161.09648	0.8
163.11179	2.3
165.12808	2.0
169.10121	0.7
171.08058	1.0
171.11737	1.0
175.11177	11.3
183.08037	0.6
185.09619	0.9
189.09146	0.7
189.11212	1.0
193.12242	29.9
195.11632	0.9
197.13290	1.3
199.11305	0.6
205.12247	1.1
209.11749	0.6
211.13277	13.8
213.12770	0.8
215.14343	0.8
223.13196	0.8
223.35146	0.5
227.12703	0.8
229.14340	1.8
231.13933	0.5
233.15337	1.1
237.12788	0.6
249.14883	1.8
255.13809	1.7
267.15909	100.0
268.16245	0.9
273.14822	3.6
278.77777	0.5
283.15338	1.1
285.16971	14.1
287.16461	0.8
323.19125	0.6
339.23224	0.7
341.21051	1.8
349.21603	2.9
357.24231	0.9
361.20615	0.6
367.22641	7.9
368.23123	0.6
385.23633	9.4
403.24716	2.3
405.24390	1.0
415.25070	0.6
433.25854	15.2
437.25400	0.6
441.26462	6.6
459.27411	77.4
460.27811	1.7
477.28497	44.8
478.28912	0.9
501.28342	1.0
505.20099	0.6
509.31439	0.7
519.29639	1.4
725.32227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05264	0.9
55.05513	11.2
57.03437	15.1
59.05006	0.9
61.02924	1.4
65.03937	0.8
66.46040	0.5
67.05504	21.2
69.03427	4.2
69.07069	5.2
71.01356	0.7
71.04993	3.7
71.60042	0.9
73.02926	0.6
79.05495	19.8
81.03418	84.3
81.07056	21.5
82.03781	0.6
83.04980	10.6
83.08620	24.4
85.02907	12.2
85.03423	0.7
85.06542	2.1
87.04433	0.5
91.05480	25.0
93.07043	14.5
95.04969	28.4
95.08604	10.0
97.02885	4.1
97.06528	2.5
97.10162	6.0
99.04462	0.9
99.08071	1.0
103.05511	0.6
105.07032	20.8
106.07401	0.5
107.04955	8.7
107.08597	9.3
109.02858	1.1
109.06528	4.6
109.10165	4.5
111.04465	3.2
111.08083	10.4
113.05988	1.4
115.05453	1.9
117.07018	3.6
119.04929	1.1
119.08578	18.8
121.06493	4.0
121.10149	9.9
123.04404	0.8
123.08057	4.4
123.11672	0.9
125.09606	3.7
127.03931	1.3
128.06233	1.3
129.05492	0.6
129.06996	12.3
131.04900	1.8
131.08571	12.6
133.06506	5.9
133.10120	9.2
134.09488	0.5
135.08070	2.4
135.11713	1.8
137.05972	1.0
137.09665	2.3
139.41064	0.5
141.06946	0.8
142.07724	2.6
143.08548	1.6
145.06480	4.6
145.10115	3.4
147.08041	4.6
147.11679	13.0
149.05966	0.6
149.09621	6.0
151.07538	0.8
153.09145	0.7
153.12790	0.5
155.08554	1.5
157.06517	1.3
157.10132	12.7
159.08029	0.9
159.11684	1.1
161.06023	1.6
161.09628	1.1
163.11159	3.1
165.12820	2.8
169.06450	0.6
169.10179	1.2
171.08026	1.2
171.11714	1.0
173.09598	0.7
175.03876	0.5
175.11188	12.5
182.05420	0.5
183.11662	0.6
185.09705	0.9
185.13264	1.0
187.11148	1.2
189.11275	1.6
189.12799	0.6
193.08586	1.0
193.12241	32.6
195.08041	0.6
195.11670	1.4
197.13271	0.8
199.11240	0.6
203.14355	0.9
205.12236	1.4
209.11641	0.6
211.13277	15.6
213.12715	0.7
215.14296	0.5
221.13307	0.6
223.13200	0.7
226.11501	0.5
227.12653	1.0
227.14597	0.6
229.14204	2.5
233.15303	0.8
237.12749	0.7
249.14717	2.3
255.13864	2.3
267.15912	100.0
268.16299	1.4
269.15552	0.6
273.14859	3.9
283.15298	2.6
285.16959	15.0
287.16449	0.5
301.16589	0.6
317.21219	0.8
333.20508	0.9
339.23309	0.7
341.21262	1.5
349.21631	3.1
367.22665	6.8
385.23737	10.0
403.24686	3.1
405.24014	0.8
415.24557	0.9
423.25565	0.6
433.25885	16.6
437.25113	1.2
441.26257	6.2
459.27420	75.8
460.27780	1.5
473.33789	0.5
477.28497	44.8
478.28873	1.3
491.29886	1.0
501.28091	1.1
509.30093	0.7
519.29254	1.5
585.30237	1.0
603.32062	0.7
674.35907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.8
55.01872	4.3
55.05516	6.0
57.03437	2.7
57.07056	1.2
59.05004	2.0
65.03957	1.2
67.05169	1.6
67.05508	20.1
67.72197	1.0
69.03429	16.5
69.07083	7.5
70.86163	3.2
71.01336	1.4
71.04983	4.5
79.05500	14.8
81.03423	29.0
81.07059	21.2
83.04993	8.3
83.08608	4.1
85.02921	9.7
87.04464	1.7
91.05487	18.3
93.07050	28.0
95.04958	9.9
95.08608	23.3
97.02891	30.9
97.06538	9.9
98.97601	2.1
99.04463	6.8
99.08080	1.8
103.05468	2.4
105.03387	1.1
105.07034	38.8
106.07382	2.2
107.04960	17.6
107.07867	1.8
107.08599	36.7
109.02885	72.3
109.06527	12.2
109.10162	45.0
111.03693	2.0
111.04447	33.5
111.08074	7.8
113.06021	2.4
115.03935	2.6
115.05454	2.5
116.98640	1.1
117.07019	5.8
119.04947	1.1
119.08583	73.2
120.08917	2.0
121.02920	1.2
121.06518	7.7
121.10145	17.2
121.10928	1.9
123.04459	5.4
123.08066	14.2
123.11723	8.1
125.05993	1.5
125.09617	2.0
127.03925	74.6
128.06244	4.0
129.07016	5.0
131.04910	2.1
131.08563	9.2
131.74667	1.0
133.06500	26.0
133.10133	55.6
134.10437	1.8
135.08049	21.5
135.11705	10.2
137.05994	3.7
137.09607	9.6
139.07529	1.8
141.09050	1.5
142.07788	1.6
143.08565	13.6
145.04970	5.0
145.06465	3.5
145.10118	13.4
146.07289	1.3
147.08058	39.1
147.11685	5.4
148.08682	1.3
149.06035	1.6
149.09628	8.1
151.07562	1.4
151.11177	5.7
155.08537	3.0
156.09288	1.4
157.06464	1.0
157.10126	11.9
158.99643	1.3
159.08060	4.6
159.11700	8.9
161.06044	1.6
161.09628	39.6
161.13307	2.9
162.09981	1.3
163.07561	12.9
163.11186	14.5
165.09122	35.4
166.07809	2.5
167.07048	27.1
167.08362	1.8
167.10709	1.2
169.10165	4.7
171.08087	3.7
171.11736	11.1
173.09642	5.9
173.13290	4.8
175.07547	1.4
175.11206	5.8
175.14897	1.9
178.07553	2.0
179.10675	26.6
181.08588	4.7
181.10181	6.3
183.11719	2.8
185.09636	13.8
185.13243	4.4
187.07639	1.3
187.11246	7.1
187.14798	2.8
189.09108	29.1
189.12756	2.5
189.16438	1.1
191.10675	5.0
193.08545	1.7
193.12280	3.0
195.10152	7.5
195.11731	3.0
197.09641	3.1
197.13298	3.2
199.11192	23.3
199.14796	2.9
201.12782	4.4
203.10738	4.9
203.14310	1.4
205.12245	3.0
205.15900	1.2
207.10179	41.5
207.12056	2.4
208.10588	1.5
209.11646	1.8
209.13382	2.5
211.13118	1.5
211.14917	3.5
213.11140	18.0
213.12718	2.2
215.10637	2.0
215.14375	1.5
217.12230	15.0
217.15765	1.2
219.13849	3.0
225.11212	100.0
226.11589	2.0
227.10716	1.6
227.17941	1.7
229.12184	1.4
231.13887	1.7
233.08064	1.2
235.13332	4.4
237.02922	2.0
237.16498	1.9
239.18167	1.2
241.12221	2.0
243.10098	2.3
245.11719	2.0
249.11212	1.3
251.17969	2.7
253.15939	1.7
255.17490	3.6
259.13370	3.6
267.12363	6.1
267.15298	1.2
269.19046	4.9
273.18430	3.7
279.12173	2.9
279.17462	1.7
287.16782	1.0
287.20114	4.3
295.16971	2.5
297.13297	1.3
297.18478	17.3
299.14987	2.1
301.17807	1.4
303.12256	3.3
313.18027	6.2
315.19559	36.4
316.19943	2.6
321.13373	7.8
322.13663	1.2
331.19077	11.6
333.13446	7.0
333.20557	14.0
341.21252	1.4
351.14441	4.1
355.14194	2.6
356.14926	8.8
356.64838	1.7
357.20569	4.8
367.19092	1.6
369.20511	5.8
375.21796	6.0
395.21988	1.9
405.20703	3.6
410.19855	1.2
411.21811	2.8
413.23291	2.5
423.21631	15.8
424.21692	1.4
441.22742	36.2
442.23041	1.9
459.23694	34.2
460.23761	1.5
469.16626	1.3
477.24988	3.3
509.27304	7.8
602.32849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
55.01880	5.1
55.05510	11.3
57.03436	4.5
59.04988	2.1
65.03942	3.2
67.05502	20.8
69.03430	20.0
69.07072	7.5
71.04991	6.5
73.02922	2.9
79.05498	13.2
80.04946	1.9
81.03419	25.2
81.07063	24.5
83.04984	9.7
83.08616	3.8
85.02897	10.1
87.04478	2.5
91.05472	20.3
93.07049	31.2
95.04961	15.2
95.08606	30.3
97.02894	33.5
97.06512	10.2
97.10155	3.4
99.04460	5.0
105.07036	45.2
107.04956	18.2
107.08589	39.7
109.02884	54.2
109.06509	11.3
109.10155	43.2
111.04438	41.2
111.08089	8.7
113.06011	3.4
117.07023	6.3
119.08582	76.4
121.06483	10.2
121.10138	23.8
123.04428	3.0
123.08058	11.2
123.11725	10.0
125.05966	3.3
127.03918	80.4
128.06192	3.6
129.07013	7.7
131.04898	2.8
131.08578	11.6
133.06482	34.3
133.10135	56.2
134.10524	2.2
135.08052	20.1
135.11694	9.1
137.06000	2.3
137.09613	8.6
138.19449	2.2
139.07545	2.7
141.07048	2.1
143.08554	13.9
145.05025	5.2
145.06448	3.5
145.10138	14.9
147.08054	34.5
147.11697	7.3
149.09619	9.2
151.11249	6.9
156.09416	3.3
157.10115	14.6
159.08083	3.9
159.11723	11.4
161.06000	3.1
161.09616	37.2
161.13309	2.1
163.07582	10.4
163.11162	18.0
165.09129	39.5
167.07060	21.4
167.08427	3.6
169.06483	2.5
169.10123	5.9
171.08093	2.5
171.11697	10.1
173.09666	7.5
173.13268	4.7
175.11205	5.7
175.14893	2.9
179.10672	27.8
181.08722	3.0
181.10193	8.0
183.11801	3.9
185.09637	16.8
185.13321	5.0
187.11188	7.1
189.09109	30.4
189.12802	4.7
191.10594	4.2
193.12260	4.0
195.10257	4.1
195.11725	4.4
196.62401	2.0
197.13286	4.0
199.11201	31.4
199.14848	5.6
201.12741	2.8
203.10710	7.3
203.14323	2.3
207.10144	39.1
209.11728	4.0
213.11238	16.3
213.12975	3.8
215.10649	3.1
217.12299	20.0
219.13847	4.2
225.09006	5.1
225.11205	100.0
225.16188	3.1
229.14351	3.0
230.51231	2.5
235.13217	5.3
237.11147	4.1
251.18210	3.8
259.12964	2.8
267.12369	5.2
267.16013	7.6
269.18945	4.6
273.18521	2.7
279.12570	2.4
279.17398	5.1
283.15454	3.9
287.20026	5.4
295.16843	4.3
297.18533	22.6
303.12396	2.8
313.17999	8.6
315.15848	2.5
315.19568	51.9
321.13370	8.4
331.18915	18.0
333.13287	6.9
333.20685	18.3
348.14453	2.4
351.14642	3.9
357.20438	7.2
369.20563	8.5
375.21710	6.6
385.23688	2.4
395.22424	3.0
396.08383	2.3
405.20746	5.2
411.21561	4.6
423.21671	15.1
437.24658	2.5
441.22733	55.6
459.23358	46.5
477.28397	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	722.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01875	3.8
55.05511	10.6
57.03438	9.3
57.07075	0.4
59.05004	1.1
61.02927	1.0
65.03947	0.8
67.05508	12.0
67.15565	0.3
69.03424	2.0
69.07068	3.5
70.52257	1.2
71.01363	0.8
71.04989	2.2
79.05495	14.4
81.03419	37.5
81.07061	12.6
81.97947	0.3
83.01339	3.4
83.04984	6.1
83.08620	12.3
85.02903	3.0
85.06539	1.1
87.04473	0.5
91.05486	11.2
93.06464	0.8
93.07046	12.4
95.04971	13.7
95.08614	5.9
97.02899	3.2
97.06539	3.1
97.10181	4.7
97.69659	0.4
99.04459	1.0
103.05505	0.5
105.07037	9.4
107.04958	7.3
107.08604	8.2
109.02876	1.5
109.06524	3.7
109.10172	3.9
111.04446	2.3
111.08102	3.2
115.05486	1.0
117.07027	4.1
119.04984	0.9
119.08583	8.8
121.06501	3.9
121.10153	5.4
123.04421	1.1
123.08064	4.7
125.06016	0.9
125.09618	4.4
127.03925	0.7
128.06219	0.4
129.07018	4.5
130.07799	0.8
131.04950	0.7
131.08572	5.0
131.27492	0.3
133.06488	2.5
133.10136	3.4
135.04428	0.4
135.08043	1.9
135.11707	5.3
137.05983	0.7
137.09645	1.5
141.07001	0.5
142.07785	1.2
143.08556	1.7
145.02806	0.5
145.06488	2.4
145.10124	7.4
147.04445	0.4
147.08037	3.8
147.11684	3.6
149.05989	0.6
149.09607	3.2
153.09145	0.6
153.12746	1.9
155.08592	1.6
157.06493	0.7
157.10132	4.5
159.08154	0.5
159.11685	1.0
160.05153	0.4
161.05981	3.6
161.09637	1.4
163.07532	0.5
163.11183	10.8
165.09134	0.4
165.12732	1.0
167.07059	1.3
167.08556	0.6
169.10118	0.4
171.08049	1.2
171.11693	0.6
173.05917	0.6
173.09566	2.5
173.11877	0.7
175.07591	0.5
175.11174	3.9
181.10107	0.5
181.12274	1.4
183.11685	0.8
185.09633	1.0
185.13342	0.4
187.07550	0.7
187.11154	0.6
189.09151	1.0
189.11259	2.1
191.09099	0.4
191.10632	2.2
193.08669	0.4
193.12234	8.2
195.08115	0.5
195.11743	0.5
199.11192	0.5
201.09154	0.5
201.12804	0.5
205.12286	1.2
209.09958	0.4
209.11716	2.2
209.13379	0.4
211.09483	0.4
211.11249	1.1
211.13324	1.1
213.12834	1.2
217.12172	0.6
225.11078	0.6
225.12953	0.6
227.12697	2.8
231.13846	1.5
235.11087	0.5
237.12938	0.5
243.13901	0.9
245.15593	0.4
249.14948	1.0
251.14523	0.3
253.12166	0.7
265.14383	0.7
267.15924	20.8
269.15250	1.0
271.13367	1.6
273.14792	2.2
277.30707	0.4
283.15414	18.5
287.16592	0.6
289.14261	2.9
301.14362	0.7
303.15857	0.5
337.21686	0.8
347.20175	0.6
355.22604	2.0
365.21204	2.4
383.22183	13.2
384.22842	0.5
401.23257	6.3
419.24252	1.9
421.23843	0.6
431.24396	0.5
439.24710	1.5
441.23203	0.4
457.25900	23.3
458.26395	0.6
475.26944	100.0
476.27136	1.5
493.27957	9.6
517.27924	1.7
541.27783	0.4
583.28351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01874	4.7
55.05510	10.2
57.03437	10.4
57.07071	0.4
59.04999	1.5
61.02921	0.7
65.03944	0.6
67.05505	12.9
69.03434	1.9
69.07066	3.3
69.99772	1.8
71.01353	0.8
71.05003	2.3
73.02932	0.4
77.03923	0.6
79.05493	14.7
81.03417	38.2
81.07056	13.2
83.01341	3.4
83.04980	7.4
83.08619	12.9
84.04547	0.3
85.02902	3.0
85.06530	1.4
86.09720	0.3
91.03979	0.4
91.04893	0.5
91.05479	12.6
93.07043	14.5
94.64923	0.3
95.04970	14.0
95.08608	5.9
97.02888	3.3
97.06528	3.4
97.10172	4.8
98.21438	0.4
99.04459	1.2
99.08077	0.6
103.05455	0.8
105.03384	0.4
105.07028	10.7
107.04276	0.6
107.04961	7.3
107.07860	0.5
107.08594	9.5
108.08913	0.5
109.02879	2.4
109.06519	4.5
109.10149	3.8
110.10446	0.4
110.79858	0.3
111.04443	2.3
111.08079	3.4
113.06017	0.5
115.05481	0.9
117.07012	4.1
119.04930	0.9
119.08582	10.7
121.02905	0.5
121.06506	4.0
121.10136	5.7
123.04458	1.0
123.08063	5.3
123.11713	0.4
125.02372	0.3
125.06004	0.9
125.09631	4.6
127.03908	2.2
128.06245	0.8
129.06995	5.6
130.07727	0.5
131.04945	1.3
131.08585	5.4
133.06476	2.6
133.10127	4.4
135.04442	1.1
135.08064	2.7
135.11697	5.6
137.05966	0.8
137.09622	1.6
139.07526	0.5
141.06981	0.7
142.07784	0.8
143.08565	1.2
145.06511	2.3
145.10118	7.8
147.04417	1.2
147.08058	3.9
147.11690	3.9
148.50183	0.3
149.05971	0.8
149.09621	2.9
153.09073	0.6
153.12772	2.2
155.08553	1.4
157.06445	0.7
157.10144	4.2
159.08057	0.9
159.11694	0.9
161.05986	3.6
161.09627	1.6
163.03964	0.4
163.07539	0.4
163.11183	10.9
165.09135	0.9
165.12743	0.7
169.10132	0.9
171.08075	0.7
171.11734	0.7
173.06004	0.8
173.09636	2.3
173.13223	0.4
175.07582	0.6
175.11183	4.3
175.14885	0.8
177.05443	0.5
177.09277	0.4
177.12820	0.4
179.10570	0.3
181.10066	0.4
181.12257	1.6
182.10703	0.3
183.08148	0.8
183.11655	0.6
185.09615	0.8
185.13240	0.5
187.07549	0.5
187.11075	0.4
189.09206	1.5
189.11133	1.4
189.12723	0.5
191.10710	1.5
193.08604	0.6
193.10410	0.6
193.12239	8.7
195.11594	0.6
197.09531	0.4
199.11234	0.7
201.12697	0.4
203.14337	0.7
205.12238	1.2
209.09836	0.5
209.11742	2.3
209.13423	0.4
211.11176	0.8
211.13297	1.3
213.12794	0.9
219.10208	0.3
225.11099	0.6
227.12729	2.7
231.13777	1.7
235.11171	0.4
237.12778	0.3
237.14944	0.5
243.13823	1.2
246.11259	0.4
249.14851	0.7
257.15195	0.5
259.09567	0.5
259.13464	0.3
261.15051	0.4
265.14334	0.8
267.15921	21.6
269.15506	0.7
271.13318	0.9
273.14948	1.9
283.15405	18.1
285.14774	0.4
285.18979	0.3
287.16479	0.6
289.14453	2.8
301.14496	0.5
303.15915	0.3
313.18237	0.4
337.21692	0.7
347.20071	0.4
347.39108	0.3
355.22656	2.1
365.21121	2.9
383.22144	12.7
401.23251	6.4
407.23962	0.5
419.24161	2.0
421.23776	0.4
431.24268	0.9
439.24820	1.3
457.25903	23.7
458.26315	0.8
475.26938	100.0
476.27371	2.9
493.27988	9.7
517.27917	1.3
541.28168	0.5
571.28760	0.4
583.29059	0.5
601.29816	0.5
611.41498	0.3
689.81097	0.4
726.37366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03944	1.0
55.01868	1.6
55.05513	0.9
57.45511	0.2
65.03929	0.6
67.05501	2.0
69.03424	2.0
69.07061	0.8
70.75678	0.6
71.04993	0.5
77.03925	0.4
79.05492	4.8
81.03412	3.9
81.03867	0.4
81.07050	2.3
83.01286	0.3
83.04976	1.0
83.08610	0.3
85.02886	0.6
90.04727	0.3
91.05475	4.6
93.07037	3.9
95.04967	1.9
95.08599	3.2
97.02891	5.0
97.06555	0.5
99.04448	0.9
103.05465	4.4
104.81158	0.2
105.07027	50.2
106.07349	0.5
107.04977	1.1
107.08591	5.4
108.04459	0.4
109.02877	10.9
109.06493	1.5
109.10156	6.6
110.10518	0.2
111.04437	3.3
111.08073	0.8
113.05988	0.3
115.05453	7.9
117.06987	0.7
118.04156	3.2
119.04987	0.4
119.08574	11.1
120.08842	0.3
121.06503	1.2
121.10147	3.0
122.92442	0.2
123.04422	0.6
123.08076	1.5
123.11684	1.1
125.06013	0.5
127.03909	8.3
128.06206	0.4
129.06978	0.5
130.07762	0.2
131.04927	1.6
131.08600	1.5
132.05696	0.5
133.06487	50.8
133.10118	7.1
134.06828	1.2
135.08046	1.7
135.11690	0.9
137.05980	0.8
137.09618	1.2
142.07767	0.3
143.04921	1.3
143.06053	2.7
143.08542	1.8
145.04968	0.6
145.06451	0.4
145.10150	1.5
147.08029	5.5
147.11665	0.6
149.05974	0.8
149.09613	1.0
151.11186	0.9
155.08565	0.4
157.10115	1.1
159.08076	0.2
159.11694	1.1
161.05974	96.0
161.09576	5.1
162.06303	2.0
163.03914	0.6
163.07542	0.6
163.11194	1.5
165.06970	0.3
165.09109	5.3
166.07758	0.3
167.07071	0.3
169.10149	0.7
171.08034	0.3
171.11690	0.9
173.09700	0.2
173.13229	0.7
175.07629	0.3
175.11145	0.4
178.06288	0.4
179.10660	3.8
181.10112	0.5
183.11690	0.3
185.09593	1.5
187.11179	0.8
189.09102	4.5
189.12794	0.4
191.10683	0.3
193.08598	100.0
194.08971	1.7
195.11691	0.3
197.13329	0.4
199.11160	2.6
199.14871	0.4
201.12724	0.4
203.10645	0.4
203.14131	0.3
207.10139	5.0
207.12025	0.3
211.14674	0.2
217.12195	1.6
219.13846	0.3
225.11206	13.9
226.11583	0.4
227.17834	0.2
235.13211	0.3
243.12257	0.3
255.17470	0.4
259.13177	0.3
267.12314	0.5
269.19028	0.5
273.18478	0.3
279.17490	0.3
287.19940	0.5
297.18594	1.4
313.18127	0.6
315.19556	4.0
331.19009	0.8
333.13278	0.7
333.20593	1.3
351.14334	0.5
357.20508	0.7
367.18912	0.2
369.20621	0.3
375.21362	0.4
405.20670	0.3
411.21771	0.3
423.21634	1.2
441.22714	2.7
459.23773	2.3
556.74561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52631	0.3
53.03942	0.8
54.21069	0.3
55.01867	1.8
55.05510	1.0
57.03429	0.5
63.25599	0.2
65.03935	0.6
67.05503	3.2
69.03436	2.6
69.07067	1.2
69.30517	1.3
69.30948	1.7
69.68254	0.3
71.04990	0.4
77.03954	0.3
79.05492	4.6
81.03423	4.7
81.07053	3.8
83.01325	0.3
83.04977	1.7
83.08607	0.4
85.02912	1.1
90.04681	0.3
91.05473	4.9
93.07045	5.2
95.04979	2.2
95.08607	4.1
97.02889	5.6
97.06522	0.8
99.04453	0.9
103.05463	4.0
105.07029	45.8
106.07353	0.8
107.04972	1.3
107.08595	6.6
109.02120	0.4
109.02876	8.6
109.06529	2.1
109.10158	7.8
109.10909	0.3
110.10490	0.3
111.04429	4.8
111.08086	0.9
113.06017	0.5
113.71962	0.2
115.03940	0.3
115.05447	7.6
117.07036	0.9
118.04166	2.3
119.04929	0.8
119.08581	13.4
120.08880	0.4
121.06483	1.6
121.10140	3.6
123.04463	0.7
123.08080	2.2
123.11713	1.2
125.06021	0.6
125.09694	0.3
127.03918	11.1
127.66801	0.3
128.06195	0.4
129.07043	0.5
131.04901	1.4
131.08623	1.3
133.06490	47.6
133.10126	9.1
134.06830	1.1
135.08046	2.2
135.11700	1.7
137.06018	0.5
137.09602	1.6
139.07503	0.3
142.07790	0.4
143.04916	0.8
143.06044	2.4
143.08533	2.7
145.04980	0.8
145.06447	0.4
145.10159	2.1
147.04326	0.3
147.08040	6.4
147.11685	0.7
149.06009	0.5
149.09604	1.4
151.07552	0.4
151.11218	0.9
155.08557	0.6
157.10123	1.9
159.08063	0.6
159.11671	2.1
160.05241	0.5
161.05977	93.3
161.09584	6.5
162.06352	1.7
163.07576	0.7
163.11163	2.6
165.09105	7.1
166.07806	0.5
167.07077	0.5
169.10110	0.9
171.08031	0.3
171.11684	1.1
173.09610	0.8
173.13258	0.9
175.07512	0.6
175.11081	0.6
179.10651	5.1
181.10095	1.7
183.11685	0.7
185.09644	2.3
185.13284	0.7
187.11197	1.0
187.14856	0.6
189.09102	5.8
189.12726	0.6
191.07135	0.4
191.10634	0.7
193.08604	100.0
194.08934	2.4
195.11722	0.5
197.13303	0.6
199.11176	5.4
199.14818	0.6
200.11644	0.3
201.12737	0.4
203.10649	1.0
205.12195	0.5
207.10155	7.6
207.12062	0.5
209.11668	0.7
211.13042	0.3
211.14876	0.5
213.12781	0.6
215.10799	0.5
217.12263	2.6
221.11470	0.3
223.14957	0.3
225.11214	20.6
226.11479	0.8
231.10223	0.3
235.13196	0.7
241.12312	0.3
251.17921	0.6
259.09705	0.3
259.13367	0.5
267.12262	0.9
269.19055	1.0
271.16751	0.3
283.09650	0.4
283.15149	0.3
286.51810	0.3
287.19992	0.8
295.16818	0.3
297.18539	2.6
299.15140	0.3
301.10635	0.4
309.18466	0.3
313.17847	0.8
315.19562	7.2
331.19003	1.8
333.13391	0.9
333.20636	3.9
334.20862	0.4
351.14325	1.0
351.19101	0.4
357.20499	1.1
369.20569	1.5
375.21725	1.5
381.19977	0.3
393.20532	0.4
395.22165	0.4
399.21432	0.3
405.20593	0.4
411.21521	0.4
423.21686	2.4
441.22690	7.4
442.23123	0.5
459.23785	6.8
475.26990	0.9
477.24722	1.4
527.25415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01871	1.1
55.05507	2.8
57.03425	0.8
57.07057	1.5
60.04506	0.6
65.03943	0.5
67.05168	0.5
67.05508	6.8
67.84109	0.3
69.03425	3.2
69.07069	4.1
71.04996	1.9
71.08650	0.3
71.59953	0.7
73.02921	0.5
79.05497	5.4
80.05016	1.9
81.03415	10.8
81.06577	0.6
81.07055	11.1
83.05001	1.8
83.08629	2.9
85.02929	1.9
85.06540	2.9
91.05474	5.5
93.06469	0.5
93.07044	7.9
95.04975	2.6
95.08607	15.0
95.92542	0.4
97.02280	0.6
97.02891	9.8
97.06525	2.8
97.10150	1.2
99.04448	1.6
99.08076	0.5
103.05464	1.3
105.01828	0.4
105.07030	13.0
106.07359	0.7
107.04960	7.6
107.08593	25.9
108.03796	0.6
108.04479	8.7
108.05666	0.4
109.02878	17.6
109.06518	7.0
109.10155	13.6
110.10484	0.5
111.04442	5.8
111.08083	2.1
112.65290	0.4
115.05417	0.9
117.07048	1.9
119.08583	12.7
121.06525	3.8
121.10143	11.5
123.04415	0.9
123.08065	14.5
123.11707	4.4
125.05996	2.5
125.09628	13.0
125.10552	0.7
126.05512	1.0
127.03914	16.2
127.63548	0.4
129.06990	1.0
131.04912	0.7
131.08568	5.2
133.06502	4.9
133.10129	17.8
134.06860	0.6
134.10471	0.6
135.04422	0.4
135.07103	0.6
135.08054	6.5
135.11693	5.8
137.05963	1.9
137.09625	3.4
137.13281	1.8
137.14203	0.4
139.03879	0.6
139.07529	1.8
139.11203	0.6
141.06973	0.5
142.07751	0.8
143.08563	3.3
145.02841	0.4
145.04961	1.4
145.06485	0.8
145.07625	0.4
145.10115	7.6
146.10797	0.5
147.04375	0.5
147.08015	2.4
147.11682	12.1
148.12009	0.6
148.82439	0.3
149.05988	1.0
149.09633	3.1
149.13251	2.8
151.07553	2.3
151.11180	8.3
153.09096	3.1
155.08559	2.0
156.09317	1.3
157.10127	7.2
158.10806	0.6
159.08073	1.7
159.11691	7.0
160.12440	0.6
161.05980	6.8
161.09612	6.3
161.13258	4.6
162.06334	1.2
163.06299	0.6
163.07549	7.1
163.11200	3.0
163.14839	0.8
165.09116	1.9
165.12750	0.5
167.07050	14.4
167.08365	0.5
167.10600	0.4
169.10136	3.3
170.10896	1.3
171.08060	0.7
171.11681	7.5
172.12491	0.6
173.09604	3.4
173.13277	5.6
175.07576	1.2
175.11206	2.2
175.14806	5.5
177.05513	0.6
177.09087	2.6
177.12733	0.6
177.16383	0.4
179.10654	3.9
181.08537	1.6
181.10138	1.0
181.12247	1.1
182.10895	0.4
183.08104	0.6
183.11702	5.6
184.12384	1.7
185.09627	1.5
185.13255	8.4
186.10350	0.4
187.07547	0.8
187.11235	3.0
187.14827	6.5
188.15347	0.4
189.09100	1.5
189.12772	1.3
189.16374	0.4
191.10701	2.5
191.14325	1.8
193.08598	7.0
193.10281	0.6
193.12265	0.8
193.15849	0.8
194.09143	1.3
195.10201	5.5
195.11713	0.6
196.12498	0.4
196.21191	0.3
197.09637	1.2
197.13251	2.8
199.11197	2.0
199.14824	5.7
201.09055	2.1
201.12718	2.3
201.16342	1.8
203.10699	2.6
203.14330	1.3
205.08525	0.5
205.12279	1.6
205.15886	1.7
207.10083	0.8
209.13341	2.5
210.13922	0.4
211.11185	2.1
211.14842	1.2
212.11853	0.5
213.11195	25.9
213.16312	1.8
214.11641	0.4
215.07368	0.4
215.10683	3.3
215.14326	1.5
215.17944	1.5
217.12245	1.6
219.13811	1.5
221.11508	0.4
223.14812	1.2
225.10883	0.4
225.13062	2.0
225.16347	4.2
227.14319	14.5
227.17743	0.6
228.14677	0.8
229.12201	3.9
229.15897	1.3
229.19597	1.1
231.13815	1.5
233.11783	0.6
233.15352	0.5
237.11053	0.9
239.14256	0.8
239.17943	4.5
241.16023	1.8
241.19450	1.1
243.13791	3.2
243.17436	2.8
245.15346	6.8
246.15662	0.5
247.13414	0.7
247.16927	1.1
249.16454	0.6
255.12215	0.6
257.15472	2.3
257.19000	6.2
259.16965	5.1
259.20081	0.4
259.20648	0.4
261.18542	1.5
267.17630	4.6
275.20016	1.5
279.12286	1.2
283.15271	0.5
285.18484	31.2
286.18860	1.1
293.84549	0.4
295.16574	0.7
301.16425	0.5
303.12357	4.1
303.19543	42.9
304.19818	1.2
313.17975	0.7
315.19238	0.5
321.13324	4.9
321.20493	1.4
331.19028	100.0
332.19269	3.7
333.20630	0.8
344.22366	0.5
345.32632	0.5
349.20090	12.9
360.08765	0.4
360.47519	0.3
391.21265	2.3
421.22272	4.3
456.23715	1.2
457.22198	4.4
474.24649	1.0
475.23169	17.1
476.23053	0.7
492.25876	0.8
493.24261	16.9
494.24573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01862	1.9
55.05503	2.2
57.03437	1.4
59.05001	0.7
65.03947	0.8
67.05512	5.7
67.26482	0.7
68.11560	0.7
69.03434	3.8
69.07080	1.7
71.04987	1.0
71.61726	1.2
73.02928	0.8
74.06095	0.8
79.05499	6.5
81.03426	9.2
81.07060	6.2
83.04975	2.4
83.08632	1.7
85.02917	2.6
86.86681	0.7
91.05482	6.9
93.07045	9.1
95.04961	3.1
95.08625	6.4
97.02892	9.4
97.06523	2.5
98.81223	0.7
99.04463	1.9
103.05476	4.3
105.07037	53.5
106.07372	0.8
107.04980	1.3
107.08602	10.6
109.02886	28.4
109.06526	2.7
109.10165	11.9
111.04454	6.4
111.08073	1.9
115.05465	7.9
117.07031	1.7
118.04157	2.4
119.08588	20.1
121.06512	2.2
121.10154	5.3
123.04492	0.9
123.08097	4.0
123.11681	1.9
125.05923	0.9
125.09641	10.5
127.03926	22.3
129.07021	1.7
131.04900	1.4
131.08566	2.2
133.06497	51.6
133.10136	13.6
134.06744	0.7
135.08060	3.0
135.11684	2.8
136.85506	0.8
137.06010	1.2
137.09613	2.3
142.07748	0.8
143.05016	1.1
143.06033	3.3
143.08569	3.6
145.04990	2.1
145.10129	3.3
147.08058	10.3
147.11696	1.8
149.09622	1.2
151.07552	1.2
151.11206	1.0
155.08531	1.2
157.10138	1.6
159.11656	2.0
161.05992	93.7
161.09612	11.0
162.06386	1.2
163.07492	0.8
163.11192	2.6
165.09113	10.7
169.10155	0.9
171.11641	1.9
173.09595	1.4
173.13332	1.3
175.07704	0.7
175.11256	1.2
179.10684	7.3
181.10123	1.3
183.11664	1.0
185.09630	2.8
185.13199	1.0
187.11159	1.4
189.09108	8.0
191.10625	1.1
193.08621	100.0
194.09001	1.1
195.11752	0.9
197.13229	0.8
199.11194	3.7
199.14793	0.8
203.10703	1.4
205.08690	0.7
207.10168	10.3
207.11835	1.2
209.11798	0.9
213.12785	0.7
217.12273	2.3
225.11223	26.2
225.16444	0.9
235.13190	1.2
267.12308	1.2
267.15417	0.7
276.48795	0.7
283.15356	0.9
287.16479	0.8
295.16754	0.7
297.18576	2.3
303.19449	1.9
313.17923	2.1
315.19687	5.9
331.19058	5.3
333.13309	1.6
333.20581	2.6
349.20010	3.2
351.14301	3.1
383.22354	1.0
391.21222	1.5
423.21771	1.4
439.21039	1.0
441.22906	6.6
455.35156	1.0
456.35297	1.9
457.21484	4.4
459.23932	4.4
475.22662	2.5
475.27121	2.4
477.25095	0.8
493.28290	0.9
525.30389	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01868	4.7
55.05511	8.0
64.13122	1.9
65.03931	2.0
67.05499	25.1
68.15577	1.8
69.03428	16.3
69.07070	6.5
71.04989	10.7
71.59467	3.2
73.02914	3.2
74.06430	1.7
79.05488	26.6
81.03416	27.5
81.07057	24.2
83.04973	7.4
83.08617	2.9
84.08135	2.2
85.02909	4.3
85.06544	3.1
86.09736	2.3
87.75858	1.9
91.05487	33.3
93.07039	45.4
95.04979	12.1
95.08610	30.7
97.02896	32.8
97.06519	5.1
97.10109	2.3
99.04466	11.1
105.07029	61.2
107.04964	16.7
107.08595	57.9
107.09293	3.9
108.08896	2.5
109.02878	39.1
109.06513	14.8
109.10154	58.1
111.04443	19.2
111.08128	5.7
115.05469	2.3
117.07023	11.1
119.08578	64.0
121.02888	6.3
121.06511	19.5
121.10149	24.5
123.04412	14.8
123.08061	16.1
123.11725	5.9
125.05997	7.1
127.03915	80.5
128.06177	4.4
129.07030	10.4
130.07764	3.8
131.08568	44.1
131.54657	1.9
133.06490	7.4
133.10127	54.0
135.04414	6.8
135.08058	32.0
135.11690	10.8
137.09642	7.1
139.07510	2.7
141.06984	3.5
142.07753	3.5
143.08571	18.4
145.02826	2.7
145.04977	5.6
145.06456	6.4
145.10115	24.4
147.04356	2.5
147.08046	34.5
147.11719	13.0
149.05977	2.1
149.09634	26.9
151.11209	6.0
153.05565	2.7
153.09109	2.5
155.08568	4.2
157.06525	3.6
157.10103	12.4
159.08089	6.4
159.11708	8.0
161.09612	47.4
161.10921	2.7
161.13309	2.6
163.03889	24.5
163.07477	3.1
163.11191	33.4
164.04247	4.8
165.06985	5.8
165.07634	2.4
165.09106	44.9
166.07796	7.2
167.10718	2.8
169.10132	5.6
171.08099	6.3
171.11694	13.0
173.09596	7.8
173.13271	4.6
175.11278	6.7
177.12759	3.0
179.10681	28.8
181.10100	24.7
183.11716	3.8
185.09627	29.0
185.13272	3.6
187.11240	5.6
189.09065	21.9
189.12823	6.4
191.10663	22.8
195.11705	3.9
197.09634	7.3
199.11174	82.6
200.11548	2.3
201.09164	2.7
203.10674	7.0
205.12273	2.0
207.10150	33.7
209.11710	47.2
211.14763	1.9
213.12650	2.4
215.10725	3.5
217.12242	41.9
225.11198	100.0
226.11447	2.5
227.10831	3.3
227.12805	8.6
235.13223	12.2
239.14290	2.7
244.09798	2.5
267.12271	8.2
269.19064	4.2
277.14435	4.5
279.12335	2.5
287.20142	2.4
297.13275	4.1
297.18448	14.2
301.18152	2.4
315.19559	37.7
333.13297	6.2
333.20486	4.0
341.21286	4.4
351.14380	11.0
351.19040	2.9
357.20605	17.2
365.21051	4.4
366.21658	4.3
369.20639	24.0
375.21661	9.6
381.20755	2.9
393.20267	2.8
395.22122	2.5
405.20636	9.0
411.21811	3.8
413.23434	3.7
423.21655	29.4
424.22131	2.6
441.22720	84.7
442.23019	6.7
459.23785	44.4
460.24274	3.4
477.24567	10.3
630.06152	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51855	0.7
53.03945	2.8
55.01869	6.7
55.05510	2.2
57.03427	1.8
59.04978	0.8
61.65031	0.8
65.03934	1.0
66.76369	0.8
67.05494	4.3
69.03423	4.5
69.07061	3.1
69.36064	8.1
71.04985	2.1
73.02915	0.9
79.05496	7.8
81.03419	8.2
81.07063	5.9
83.04990	2.0
83.08643	0.9
83.91057	0.7
85.02908	2.8
88.95809	0.7
91.05489	7.4
93.07050	8.2
93.22495	0.7
95.04986	3.7
95.05482	0.7
95.08620	9.6
97.02901	9.7
97.06516	2.3
98.13405	0.8
99.04459	2.4
103.05463	7.5
105.07034	55.2
106.07371	0.9
107.04934	3.5
107.08596	11.2
109.02888	15.5
109.06530	3.1
109.10165	9.7
111.04436	9.8
111.08083	2.0
115.03922	1.0
115.05466	8.9
117.03371	1.0
117.07017	2.2
118.04164	3.3
119.04937	0.7
119.08582	16.5
121.02846	1.0
121.06499	4.1
121.10161	5.1
123.04421	2.0
123.08081	3.8
123.11703	1.9
125.05956	0.9
125.09626	2.9
127.03923	49.3
129.06985	1.8
131.04942	5.2
131.08560	5.3
133.06497	51.8
133.10132	12.1
135.04453	0.9
135.08031	4.4
135.11713	1.8
137.05963	1.8
137.09616	1.5
139.03899	2.9
142.07761	1.1
143.05002	1.7
143.06087	3.1
143.08568	3.1
145.02852	3.6
145.04999	1.6
145.06468	1.2
145.10176	4.2
147.04411	1.3
147.08051	7.4
147.11691	2.7
149.05989	3.8
149.09581	3.7
151.11259	1.2
153.05469	1.2
155.08537	1.4
156.09328	0.7
157.10143	3.7
159.08041	1.0
159.11705	2.8
161.05991	100.0
161.09590	8.9
161.13177	0.8
162.06248	1.7
163.07567	1.8
163.11189	5.3
165.09123	8.7
166.07776	1.4
167.07068	1.4
169.10191	0.8
171.08159	0.9
171.11745	3.7
173.09602	1.8
173.13249	1.3
175.11182	1.6
176.04713	1.1
177.05493	6.9
179.10689	4.9
181.10152	1.8
182.10875	0.9
183.11736	1.5
185.09595	3.6
185.13280	1.6
187.07787	0.8
187.11234	1.9
189.09119	6.8
189.12773	0.9
191.07013	13.5
191.10649	1.7
193.08615	95.6
194.08844	1.0
197.09610	1.2
197.13272	1.5
199.11177	8.6
199.14882	1.8
201.12712	1.3
203.10727	1.7
205.12241	0.9
207.10115	6.4
209.08099	19.4
209.11728	3.2
211.14989	0.8
213.12790	0.9
214.18016	1.2
215.10703	0.9
217.12219	5.2
219.13649	1.5
225.11203	19.8
225.13344	1.1
227.09068	1.2
235.13293	1.3
269.19116	1.1
271.16989	0.8
283.88535	0.9
285.18527	2.7
287.19839	1.2
295.16977	1.2
297.18491	3.2
313.17935	2.9
315.19528	9.8
331.19052	3.3
333.13498	0.8
333.20648	2.3
349.20044	1.4
351.14444	1.3
357.20682	1.3
369.20648	1.4
375.22107	1.0
391.21255	7.5
393.20255	0.8
405.20819	0.9
411.21790	1.0
423.21579	3.8
436.32813	0.9
441.22849	9.0
457.22348	5.6
459.23694	7.0
475.23224	6.6
477.24213	1.0
493.24454	1.1
638.10583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
53.03942	1.0
55.01865	1.8
55.05513	0.3
59.04984	0.2
59.16322	0.2
63.02385	0.3
63.21856	0.2
67.05498	0.8
69.03426	2.2
69.07059	0.4
69.38017	1.3
69.38451	0.8
69.79008	0.2
71.04993	0.6
77.03929	0.3
78.67944	0.2
79.05492	3.7
81.03413	4.9
81.07048	1.6
82.23343	0.2
83.01344	0.4
83.04976	0.5
83.08598	0.3
90.04683	0.4
91.05473	3.4
93.07040	2.7
95.04962	1.3
95.08606	2.0
97.02889	4.7
97.06552	0.3
99.04443	1.2
103.05463	3.7
105.07027	41.2
106.07354	0.7
107.04891	0.4
107.08588	3.3
109.02876	27.7
109.06520	2.0
109.10158	0.8
111.04428	0.6
111.08071	1.2
113.05975	0.2
115.03954	0.4
115.05445	6.9
117.06980	0.3
118.04156	1.9
119.08581	7.9
121.06474	0.6
121.10144	3.4
123.08067	2.6
123.11697	0.9
124.08885	0.2
125.09627	20.8
126.09980	0.3
127.03913	20.0
131.04887	1.3
131.08563	0.3
132.05685	0.4
133.06487	46.1
133.10120	7.9
134.06839	0.6
135.07994	0.2
135.11740	1.1
137.05997	0.6
137.09605	1.1
139.07538	0.2
143.04906	1.0
143.06038	2.9
143.08578	0.9
145.04959	2.1
145.06097	0.3
145.06462	0.2
145.10117	0.6
146.07317	0.2
147.08031	4.7
147.11714	0.3
149.05984	0.4
151.07552	0.5
151.11153	0.9
159.08000	0.4
159.11703	0.4
161.05972	100.0
161.09567	5.9
162.06334	1.4
163.11163	1.0
165.09114	6.4
167.07187	0.2
171.08142	0.2
173.09579	0.4
175.11148	0.4
179.10658	5.6
185.13408	0.2
189.09102	5.2
191.07207	0.3
193.08600	99.3
194.08868	1.3
207.10159	7.4
211.82109	0.2
225.11203	10.5
233.11687	0.3
247.09540	0.5
267.12180	0.9
271.16898	0.5
283.09610	0.6
285.18402	0.4
289.17850	0.5
301.10461	0.5
313.17752	0.7
315.12320	0.7
331.19000	3.3
333.13367	2.0
349.16077	0.4
349.20078	5.0
351.14343	2.6
367.21191	0.5
391.21201	3.1
421.21844	0.8
439.20767	0.7
457.22202	10.9
458.22287	0.5
475.23291	10.5
476.23242	0.2
493.24323	1.5
635.56732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01873	8.5
55.05519	2.5
57.03441	1.3
65.03950	1.2
67.05515	4.5
69.03424	4.3
69.07078	1.9
71.04991	2.8
71.13419	0.8
71.13747	1.3
73.02891	0.8
74.40631	0.7
79.05495	7.7
81.03424	10.1
81.07056	7.0
83.04994	2.8
83.08623	0.7
85.02913	3.7
87.52538	0.7
89.03899	0.9
91.05472	8.6
93.07045	10.1
95.04976	4.2
95.08604	8.8
97.02887	10.6
97.06551	3.6
99.04459	2.5
103.05462	6.4
105.07035	59.2
107.04982	3.9
107.08595	11.7
109.02886	17.7
109.06529	2.8
109.10162	11.8
111.04434	13.4
111.08086	2.3
113.05965	1.6
115.03954	1.5
115.05431	8.2
117.07006	2.5
118.04169	3.7
119.04982	1.4
119.08588	19.2
121.02892	1.4
121.06503	5.2
121.10143	5.9
123.04415	2.4
123.08072	4.1
123.11732	2.5
125.05973	1.1
125.09629	2.2
127.03922	50.9
128.29361	0.8
129.07034	1.3
130.04114	1.5
131.04938	5.1
131.08521	4.6
133.06496	56.5
133.10133	14.0
134.06802	0.9
135.04453	1.0
135.08043	6.2
135.11707	2.6
137.05974	1.0
137.09647	3.0
139.03918	3.1
139.07628	1.0
142.07819	1.1
143.04974	1.4
143.06052	3.0
143.08582	4.5
145.02861	3.3
145.04997	2.3
145.06442	1.1
145.10153	6.0
147.04434	1.6
147.08054	8.0
147.11674	2.3
148.05176	1.2
149.05956	4.3
149.09637	2.9
151.11227	1.6
153.05457	1.5
156.09363	1.2
157.10175	4.0
159.08015	1.5
159.11702	2.6
161.05984	100.0
161.09584	9.7
161.13277	1.0
162.06454	1.0
163.03853	0.8
163.07573	2.7
163.11212	4.7
165.09105	8.1
169.10146	1.4
170.86436	0.8
171.08078	1.4
171.11664	5.4
173.09602	2.5
173.13300	1.8
175.07616	1.4
175.11171	1.6
176.04716	1.9
177.05481	8.0
179.10696	6.3
181.08632	1.3
181.10149	2.7
183.11673	1.9
185.09647	4.3
185.13284	2.3
187.07465	0.8
187.11281	2.1
187.14838	1.4
189.09100	7.2
189.12814	0.9
191.07024	15.2
191.10689	2.7
193.08612	99.4
193.51624	0.8
194.08994	1.2
195.11729	1.0
197.09654	2.1
197.13290	1.3
199.11218	9.1
199.14857	1.7
201.09171	0.8
201.12787	1.5
203.10664	1.2
203.14241	1.2
205.12233	1.0
207.10170	8.6
209.08093	26.4
209.11638	1.8
213.12743	1.5
214.17900	1.0
215.10799	0.9
217.12167	4.7
219.13838	1.8
225.11214	22.0
225.13316	1.1
227.09081	1.2
231.13959	1.2
235.13260	1.7
249.11266	1.0
251.18098	1.4
259.13287	1.1
267.12341	1.8
267.17435	1.6
269.19113	1.2
279.17413	1.2
285.18634	3.9
295.17087	1.3
297.18442	4.6
304.09244	0.8
313.17957	3.9
315.19501	10.3
331.19049	3.3
333.13367	2.0
333.20850	1.5
349.20010	2.1
351.14749	0.9
357.20309	1.8
369.20428	1.2
373.20221	0.9
375.21655	1.3
391.21133	7.0
393.20917	0.8
405.20700	1.9
411.21661	1.0
423.21729	4.5
441.22742	11.0
457.22321	6.4
459.23862	7.6
475.23361	5.1
631.31055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01863	2.0
55.05505	1.4
57.03426	1.4
63.81272	0.9
67.05510	4.4
69.03423	9.0
71.04981	3.3
71.57088	1.3
71.57472	1.0
73.02918	1.0
77.66577	0.8
79.05483	4.7
81.03416	20.3
81.07054	6.6
83.01357	0.9
83.04967	3.2
85.02907	4.5
85.06524	1.4
88.12063	0.7
89.36066	0.8
91.05476	9.0
93.07046	11.2
95.04961	3.1
95.08602	7.1
97.02885	19.8
97.06535	0.8
99.04452	4.9
105.07024	15.8
107.04940	1.7
107.08586	14.0
109.02873	100.0
109.06529	6.8
109.10163	2.7
111.04449	5.3
111.08078	5.1
115.03938	1.1
117.07029	2.2
119.08574	32.2
121.06516	2.6
121.10139	10.2
123.08062	10.9
123.11734	3.7
124.08857	1.2
125.09626	72.3
126.10001	1.2
127.03911	88.1
128.06203	1.2
129.05573	0.7
129.06938	0.7
131.08549	4.1
133.06471	2.7
133.10126	29.2
135.08000	1.1
135.11705	3.5
137.06017	2.3
137.09621	5.1
139.07547	0.8
143.08540	4.8
145.04958	8.7
145.06081	1.1
145.10153	3.5
146.07323	1.0
147.08037	17.4
149.05937	0.8
149.09612	1.5
151.07565	2.0
151.11160	2.9
159.07990	0.9
159.11754	1.2
161.05995	1.3
161.09607	20.7
163.07486	0.9
163.11217	3.2
165.09116	20.7
171.08003	1.1
171.11702	1.0
173.09662	1.0
175.07512	1.4
179.10663	14.7
183.11739	1.1
189.09082	15.7
189.16417	0.8
191.10706	1.1
193.08647	1.3
199.11281	1.0
202.76538	0.9
207.10149	25.5
207.12054	1.4
209.11685	1.7
217.12404	0.9
225.11209	42.9
227.12677	2.0
233.11719	1.1
239.10789	1.0
249.11200	1.1
267.12344	4.5
267.17377	1.1
270.99457	0.8
271.16907	2.5
285.18539	1.0
289.18036	3.2
303.19647	1.0
307.92563	0.8
313.18024	1.8
315.12308	1.3
317.13818	1.9
331.19003	12.3
333.13382	6.5
349.20081	15.9
351.14438	9.0
391.21118	9.2
401.33331	0.8
409.21838	1.3
421.22122	2.6
439.20929	2.3
445.22131	0.9
457.22189	27.8
475.23294	21.1
493.24374	2.0
563.51825	0.9
668.25519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
57.04617	0.4
68.32411	0.5
69.82593	2.7
77.57362	0.6
81.07069	1.0
89.63863	0.5
98.20773	0.6
104.58146	0.5
166.48653	0.5
202.30531	0.4
203.35153	0.4
209.10860	0.6
223.08681	0.7
223.12311	1.0
224.13063	1.0
225.10323	1.0
225.13820	3.2
226.14583	0.8
235.12294	0.6
237.10292	0.6
237.13965	2.0
238.14725	0.7
239.15334	0.6
249.13812	0.8
251.08224	2.0
309.08716	0.7
311.13809	0.7
314.12964	0.5
316.14435	0.5
368.14038	0.6
389.17764	1.2
403.15390	1.1
405.21115	0.7
417.16888	3.9
418.17648	2.5
419.18411	0.9
420.23425	0.7
431.18942	2.4
432.19614	2.8
433.20145	4.7
445.16080	0.8
447.21939	9.7
448.22476	1.8
455.18747	0.6
459.17615	0.8
460.18970	1.2
461.19434	1.2
474.20441	1.6
475.21304	24.1
476.22070	6.1
477.22687	1.0
487.21487	0.9
489.22879	1.4
503.20340	2.9
507.24106	0.8
519.23877	1.5
521.22131	0.8
534.26093	1.4
535.23334	17.6
536.23883	1.1
547.23364	2.6
549.24921	2.0
561.24908	5.0
562.25830	4.5
563.26575	4.0
589.24060	0.8
590.25342	1.2
607.25372	1.7
621.27075	9.8
622.27844	100.0
623.28058	6.3
701.33203	1.3
718.46613	0.8
719.36194	0.8
719.46912	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	719.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97306	0.8
64.89548	0.7
67.05497	1.2
68.64719	0.7
79.05537	1.0
88.86821	0.7
95.08615	0.9
98.21504	2.0
101.60127	0.8
109.36596	0.8
109.65010	0.9
121.10208	0.9
179.07140	0.8
199.29956	0.7
218.03857	0.9
223.12418	0.9
225.13889	2.4
225.16170	0.7
235.12218	0.7
237.13774	1.3
249.13855	1.1
251.08154	1.8
270.13373	1.1
317.52649	0.8
389.17792	0.9
403.15222	1.0
417.17117	4.2
418.17932	2.5
431.18765	1.5
432.19388	1.7
433.20245	3.6
447.21912	9.7
448.22601	2.1
460.18198	1.2
461.19507	1.2
474.20123	1.5
475.21353	23.3
476.22015	6.0
487.21158	1.7
489.22916	1.4
502.32086	0.8
503.20789	3.1
519.23810	1.6
535.23389	19.1
536.23602	1.5
547.23431	4.6
549.24908	1.5
561.24902	6.3
562.25806	4.1
563.26355	3.6
607.25323	1.1
621.26965	7.2
622.27863	100.0
623.28278	7.5
701.33844	5.5
719.47388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49086	5.2
78.76340	0.5
81.07076	0.9
91.05524	0.6
106.97968	0.5
119.83411	0.5
129.37041	0.5
133.61354	0.5
147.82835	0.6
184.07346	0.6
196.09956	0.7
211.12328	0.6
221.10654	0.7
223.12257	1.4
225.13931	2.3
226.14601	0.9
237.13963	2.0
249.13873	1.2
251.08257	1.9
275.15543	0.8
358.15823	0.6
366.16229	0.9
389.17801	0.7
403.15433	1.3
404.20547	0.6
405.21115	0.8
417.16968	3.3
418.17963	1.3
419.18405	1.2
431.18695	2.3
432.19507	2.4
433.20291	5.0
443.18387	0.6
445.16196	1.2
447.12433	0.7
447.21863	9.9
448.22485	1.9
474.20667	0.9
475.21304	21.1
476.21930	5.0
477.23480	0.8
483.68906	0.8
493.22498	1.0
503.20636	3.6
507.24240	0.8
519.23792	1.6
535.23401	14.5
536.23688	1.3
547.23633	2.4
549.24902	2.3
554.92865	0.7
561.25098	5.8
562.25586	3.3
563.26300	2.8
579.25989	0.9
590.25775	0.8
607.25134	1.5
621.27136	11.8
622.27863	100.0
623.28400	6.3
718.47754	0.8
719.47491	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	719.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01876	0.9
55.05511	3.6
57.03406	0.5
57.07084	2.0
58.64034	0.4
63.02371	0.5
63.22100	0.4
65.03915	0.6
67.05499	7.5
69.03446	0.5
69.07064	11.2
70.09456	2.2
71.04987	0.7
71.08617	0.6
79.05489	6.5
81.03406	1.0
81.07051	16.5
83.04980	4.8
83.08620	3.2
85.02880	0.7
87.04453	0.4
89.03909	7.0
91.05472	10.2
93.07040	9.6
95.04969	3.4
95.08600	22.3
97.06516	1.6
97.10143	1.2
98.20718	0.5
103.05451	2.8
104.90000	0.4
105.07025	23.5
107.04953	3.4
107.08591	11.4
109.06490	1.3
109.10147	11.3
111.04409	0.8
111.08054	0.7
115.05435	5.1
117.03378	7.0
117.06996	3.0
119.08575	15.0
121.06499	1.7
121.10136	9.0
123.04442	4.9
123.08059	1.9
123.11706	6.7
128.06274	0.7
129.06979	3.5
131.04921	9.6
131.08557	15.7
133.06476	0.6
133.10129	13.7
135.04411	18.3
135.08031	1.2
135.11667	5.1
137.05974	7.7
137.13264	2.1
141.06940	1.1
142.07722	0.5
143.04898	4.6
143.08549	4.9
145.02827	10.8
145.06493	3.9
145.10092	6.4
147.04398	2.7
147.08034	1.3
147.11681	16.4
149.05978	6.8
149.09592	3.2
149.13242	2.7
151.07507	1.4
151.14854	2.7
153.06984	3.3
155.08566	1.9
156.09409	0.5
157.06505	2.5
157.10126	2.3
159.04405	17.8
159.08002	0.9
159.11678	2.6
161.05971	13.7
161.07243	0.9
161.09599	1.8
161.13234	3.8
162.10399	2.2
163.03896	93.1
163.07542	4.2
163.11108	2.2
163.14810	2.9
164.04204	1.3
165.06981	1.9
167.08568	2.4
169.06512	1.5
169.10120	1.2
171.08066	0.9
171.11615	0.7
173.05974	28.5
173.13249	4.3
175.03941	2.0
175.07538	4.1
175.14816	9.1
176.04688	0.7
177.05453	12.4
177.16374	6.7
178.07747	1.1
179.07137	0.8
179.08571	1.7
181.06479	7.5
181.10129	1.2
183.08057	1.6
183.11653	0.5
185.05879	0.5
185.13255	1.5
186.05473	0.7
187.03938	1.8
187.07547	9.5
187.11224	0.8
187.14792	3.7
189.05453	1.9
189.09108	0.8
189.16362	16.3
190.16954	0.7
191.08565	1.0
191.14291	1.4
193.06491	1.0
193.10161	1.5
195.08112	3.1
195.11742	0.7
197.06021	2.0
197.09506	0.6
199.07520	8.3
199.14789	3.8
201.05486	1.3
201.09090	3.1
201.16376	3.0
202.07787	0.6
203.07004	1.1
203.17958	3.5
205.15862	26.9
207.08072	2.9
207.11606	0.5
207.17458	2.0
209.09663	1.5
210.06725	0.7
211.07504	4.3
213.05545	2.3
213.09067	3.8
213.16357	0.5
215.07066	1.5
215.10625	1.0
217.04877	0.8
217.10176	1.1
217.15865	0.7
219.08192	0.7
219.11720	1.2
221.09639	1.7
221.13126	0.7
223.07480	2.3
223.11209	1.2
225.09126	4.9
227.07056	1.9
227.10698	2.1
229.08513	0.8
231.11844	0.5
233.09666	0.7
235.11182	1.6
237.09204	2.2
239.06961	0.8
239.10631	3.1
241.08617	0.9
241.12228	1.6
245.09634	1.5
245.13214	0.7
247.11197	1.3
249.09093	1.5
249.12718	2.0
251.10677	0.7
253.08528	0.9
253.12274	2.4
255.10071	0.8
259.11169	1.0
262.13467	1.5
263.10764	2.0
263.14240	1.4
265.12204	1.6
266.12842	0.6
267.10083	0.7
267.13785	2.1
273.12769	1.1
277.12274	1.1
279.13739	3.9
280.14505	0.6
281.11758	2.2
281.15378	2.3
287.14328	0.9
289.12436	0.6
291.13785	1.8
294.15900	0.6
295.13403	0.8
295.16748	1.0
304.14532	0.8
305.15292	2.6
305.18985	2.1
307.16925	1.0
309.14825	2.8
309.18198	0.8
319.08148	4.0
319.20273	0.8
321.18448	4.4
322.15594	0.8
323.16354	4.4
323.20102	7.8
329.18948	1.2
337.09286	3.8
337.17953	3.2
337.21573	29.2
338.21796	0.7
347.19995	10.9
365.21097	100.0
366.21417	2.3
379.10220	1.6
499.24167	0.5
521.25446	1.1
701.29266	6.8
719.28955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05509	6.3
57.03417	0.7
57.07070	1.5
58.17344	0.6
60.04515	1.1
65.03924	0.9
67.05502	9.0
69.03414	1.6
69.07059	9.6
77.03887	1.0
79.05484	8.9
81.03398	1.0
81.07053	17.4
83.04970	3.7
83.08622	3.7
85.06559	0.6
89.03897	7.0
90.95499	0.6
91.05476	10.6
93.07037	13.8
93.24088	0.6
95.04973	4.1
95.08604	17.5
95.20869	0.6
97.10108	1.0
99.46987	0.6
103.05434	0.7
105.07024	24.2
106.07335	0.7
107.04932	3.0
107.08589	16.0
109.06506	2.2
109.09454	1.2
109.10149	15.8
110.07150	0.8
111.04421	1.0
115.05444	1.1
117.03374	8.0
117.06982	2.9
119.08579	21.6
121.10134	8.4
123.04417	6.2
123.08069	1.1
123.11693	12.2
128.06165	1.2
129.07007	4.0
131.04924	0.8
131.08578	4.5
133.02827	1.8
133.10124	14.4
135.03386	1.3
135.04408	21.5
135.11661	4.7
137.05975	2.0
137.13226	0.8
141.07001	1.4
142.07793	0.7
143.04942	1.0
143.08545	3.1
145.02832	12.3
145.06485	2.8
145.10110	8.1
147.04393	0.9
147.08014	1.0
147.11673	21.4
148.12411	1.0
149.05945	0.8
149.13251	4.3
152.22398	0.6
153.06993	1.1
155.08514	3.6
157.06467	4.0
157.10173	3.2
159.04414	0.9
159.08041	6.4
159.11673	4.0
161.05994	4.9
161.07162	0.9
161.13257	20.6
162.13956	0.6
163.03894	100.0
163.07570	4.1
163.14767	3.6
164.04253	1.0
165.06938	1.5
167.08553	2.0
169.06377	1.1
169.10118	1.7
171.08063	2.1
171.11671	2.0
172.95235	1.0
173.05943	4.5
173.09550	0.7
173.13275	2.0
174.98555	0.7
175.03902	2.0
175.07533	11.3
175.14828	6.4
177.05496	0.7
177.09084	4.1
177.16267	0.8
179.08606	1.5
180.09315	1.1
181.06512	1.9
181.10149	2.0
183.08066	4.8
183.11598	0.9
185.13280	1.2
186.05460	0.8
187.03935	1.7
187.07536	20.7
187.14833	1.3
189.05466	3.5
189.09100	5.4
189.12743	0.9
189.16362	8.1
191.10591	1.5
191.14314	2.3
191.16603	0.6
193.10083	2.0
195.08006	4.3
195.11685	1.5
197.05995	1.4
197.09613	1.9
199.07570	2.8
199.14851	0.8
201.05438	1.3
201.09073	12.1
201.16382	6.6
203.10594	1.3
203.17944	77.8
204.18712	24.6
207.08054	1.8
207.11746	1.2
209.09615	3.4
211.07530	5.0
211.11169	1.0
212.08209	1.2
213.05527	2.0
213.09053	4.5
215.06953	1.5
215.10617	3.1
220.08754	0.8
221.09596	2.3
221.13219	1.0
223.07632	0.9
223.11032	1.6
224.08215	1.1
225.09088	4.6
226.09802	1.0
227.07056	4.4
227.10631	3.3
229.08626	1.8
229.12259	1.7
229.48763	0.8
229.95358	0.7
233.09537	1.0
233.13284	0.9
234.10332	1.2
235.11127	2.8
237.09103	1.8
237.12747	1.4
238.09892	1.4
239.07037	0.8
239.10713	4.7
241.08687	1.7
241.12227	3.5
245.09734	0.8
247.11325	1.1
248.12015	1.0
249.12738	2.0
251.10590	1.9
252.11453	1.3
253.08647	0.8
253.12222	4.9
255.10040	0.7
255.13730	2.0
261.12796	1.0
263.10754	1.8
263.14279	3.3
265.12289	3.3
266.09409	1.1
266.13000	1.6
267.10629	0.8
267.13797	5.2
269.11716	0.9
277.12177	0.8
277.15817	0.7
278.13126	0.8
279.13812	2.3
280.14554	1.2
281.11752	2.7
281.15341	9.3
281.17984	1.0
291.13843	1.5
292.14392	0.9
293.15283	0.7
294.16052	0.7
295.13684	0.7
295.17010	1.8
299.20044	1.0
300.29031	0.8
305.15436	1.2
305.18866	1.2
307.13461	1.2
307.16949	2.2
309.14911	1.5
317.15500	0.7
317.21069	1.2
319.08127	1.7
319.20639	2.0
321.18515	1.5
322.19299	1.2
323.16269	2.8
323.20044	7.0
329.18970	0.8
333.24164	0.8
334.34711	0.7
337.09317	3.3
337.21594	69.9
338.21902	1.9
347.20020	7.9
350.18912	1.4
365.21100	77.8
366.21533	2.8
383.22290	1.1
497.10873	3.3
499.12357	1.0
521.25647	0.8
529.17090	0.7
539.37689	3.0
557.37982	1.9
701.29584	4.6
719.45764	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.1
53.03955	0.2
55.01884	0.1
55.05503	0.6
57.07063	0.2
63.02384	0.5
65.03932	0.3
67.05501	1.4
69.07063	1.5
70.35844	0.2
70.36240	0.3
71.58961	0.1
71.91412	0.1
77.03940	0.4
79.05484	2.2
81.07057	2.1
83.04970	0.4
83.08627	0.5
85.10160	0.1
89.03911	7.0
91.05474	3.1
93.07033	1.3
95.04967	1.3
95.08598	2.6
95.09161	0.2
97.06474	0.1
97.10163	0.2
98.21348	0.2
103.05482	0.2
105.03364	0.1
105.07027	6.8
107.04947	2.4
107.08587	1.6
109.10136	1.5
111.04415	0.4
115.05457	0.4
117.03374	8.5
117.07008	0.3
119.04951	0.2
119.08575	3.5
121.06444	0.1
121.10126	0.9
123.04412	0.5
123.08066	0.1
123.11697	0.8
129.07027	0.2
131.04927	0.5
131.08559	0.6
133.02866	0.5
133.09114	0.2
133.10120	3.1
133.11084	0.2
135.04408	21.2
135.11719	0.6
136.04747	0.4
136.51590	0.1
137.06000	0.3
137.13251	0.2
139.03877	0.1
141.06985	0.1
143.04918	0.3
143.08553	0.2
145.02837	13.2
145.10088	0.7
146.03178	0.3
147.04387	0.8
147.11679	3.9
149.05966	0.4
149.13272	0.2
151.14766	0.2
153.06934	0.3
157.06438	0.2
157.10150	0.2
158.06036	0.3
159.04410	0.9
159.08058	0.2
159.11671	0.2
161.05968	0.7
161.13252	0.8
163.03896	100.0
163.14842	0.2
164.04219	1.5
165.07045	0.2
167.08591	0.3
169.06566	0.2
171.08134	0.2
173.05959	2.3
173.13293	0.3
175.03906	0.8
175.07567	0.3
175.14792	0.3
176.04691	0.6
177.05495	0.5
177.16414	0.4
179.08591	0.4
181.04967	0.2
181.06487	0.7
181.10057	0.2
183.08090	0.2
185.05977	0.2
186.05461	0.9
187.03966	0.2
187.07504	0.7
187.14777	0.2
189.05498	0.7
189.16373	4.1
190.17078	0.4
191.08580	0.2
193.06502	0.2
193.10158	0.3
195.08020	0.5
197.05908	0.2
199.07591	1.0
201.05438	0.2
201.09047	0.2
201.16301	0.3
203.07025	0.2
203.17963	2.6
205.06374	0.2
205.15845	1.0
206.07281	0.2
207.08028	0.5
209.09666	0.3
211.07484	0.6
213.05489	0.8
213.09128	0.3
215.10843	0.2
219.07985	0.1
219.11479	0.1
221.09578	0.6
223.07533	0.4
225.09102	0.6
227.07002	0.2
227.10631	0.1
234.14006	0.2
235.11165	0.1
237.09074	0.5
239.10658	0.5
245.09653	0.1
247.11169	0.2
249.12766	0.3
253.12166	0.3
262.13525	0.4
263.10632	0.2
263.14294	0.2
265.12308	0.2
267.13831	0.3
279.13571	0.2
280.14600	0.1
281.11612	0.5
291.13754	0.1
303.17068	0.2
304.14728	0.1
305.15564	0.2
305.18961	1.3
309.14795	0.2
319.08041	2.5
319.20718	0.1
321.18488	1.5
323.16696	0.2
323.20023	3.6
324.20316	0.2
337.09161	2.7
337.21548	1.4
347.19980	0.9
365.21121	6.2
366.21414	0.4
379.10141	0.3
383.22119	0.2
497.10696	0.7
499.12134	0.8
642.65192	0.1
701.29480	1.2
738.05176	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	719.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
53.63943	0.3
55.05500	1.6
57.03428	0.4
57.07048	0.4
63.02368	0.4
65.03925	0.6
65.58306	0.4
67.05514	2.9
69.03416	0.7
69.07070	2.7
71.04954	0.4
71.59840	0.7
76.37862	0.3
79.05489	2.7
81.03422	0.9
81.07053	5.3
83.05001	1.3
83.08609	1.0
85.02846	0.4
86.74017	0.4
89.03918	7.7
91.05474	3.3
93.03406	0.7
93.07039	3.0
95.04988	2.0
95.08611	7.0
97.02889	0.3
97.10139	0.4
103.05471	1.0
105.07027	6.5
107.04948	3.1
107.08590	3.4
109.06556	0.4
109.10161	2.6
111.04431	0.8
115.05458	1.1
117.03386	9.2
117.07010	1.1
119.08582	4.1
121.06483	0.6
121.10134	2.3
123.04424	1.5
123.08077	0.7
123.11705	1.3
127.03895	0.5
129.06976	0.8
131.04971	2.5
131.08572	4.6
133.10138	4.1
135.04419	24.0
135.08018	0.5
135.11711	1.3
136.04785	0.4
137.05986	2.5
137.13292	0.6
139.03906	0.4
143.04919	1.2
143.08559	1.0
145.02844	15.2
145.03990	0.9
145.06477	1.5
145.10123	2.9
147.04411	1.0
147.08044	0.6
147.11687	3.2
149.05966	2.2
149.09666	0.5
149.13269	0.8
151.14813	1.0
153.06990	1.2
153.12743	0.4
155.08543	0.5
157.06508	0.6
157.10121	0.8
159.04405	3.5
159.08015	0.4
159.11681	1.1
161.05988	3.3
161.09648	0.5
161.13249	1.0
163.03905	100.0
163.14824	1.2
164.04225	2.1
165.06940	0.6
167.08562	1.1
169.06459	0.5
171.07999	0.5
173.05980	7.2
173.13272	1.6
175.03923	0.6
175.07571	1.2
175.14864	2.4
177.05478	3.0
177.16412	2.6
179.07034	0.6
179.08522	0.4
181.04987	1.1
181.06496	1.5
181.10162	0.5
186.05505	0.9
187.03935	0.7
187.07558	2.5
187.14818	1.0
189.16400	3.3
191.08398	0.5
193.06622	0.5
193.10095	0.5
195.08109	0.7
197.05981	0.7
197.09583	0.5
199.07506	1.9
199.14885	1.0
201.09213	0.7
201.16396	1.4
203.18040	0.7
205.15862	5.1
207.07921	0.8
207.11728	0.4
207.17416	0.7
211.07578	0.9
213.05515	1.0
213.09123	0.9
215.07045	0.8
215.10625	0.4
217.04903	0.4
221.09706	0.8
223.07600	0.7
225.09084	1.1
227.06842	0.4
227.10568	0.7
227.12720	0.4
235.11176	0.4
237.09187	0.5
239.10739	1.0
241.08698	0.4
253.12370	0.6
259.11163	0.5
263.10672	0.7
263.14285	0.5
265.12335	0.4
267.13745	0.8
267.16183	0.4
273.18695	0.4
277.12256	0.4
279.13782	1.0
281.11862	0.6
281.15567	0.4
291.13980	0.5
297.07254	0.5
305.15448	0.6
305.18945	0.7
319.08087	4.1
321.18417	1.5
323.16412	1.4
323.20114	2.4
337.09161	24.8
337.17905	1.0
337.21579	8.0
338.09430	0.4
347.20026	3.8
365.21109	28.1
366.21484	0.7
412.97946	0.4
495.12888	0.9
701.29468	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03939	0.4
55.01865	0.2
55.05510	1.3
57.07063	0.4
63.02361	0.4
65.03937	0.3
67.05169	0.2
67.05503	3.8
69.03426	0.3
69.06724	0.2
69.07068	2.6
69.76205	0.4
69.76624	0.9
71.08623	0.2
77.03934	0.3
79.05491	3.0
81.03417	0.4
81.07050	4.1
83.04974	0.7
83.08607	0.7
85.02907	0.2
85.29696	0.2
89.03911	7.7
91.05482	4.8
92.05810	0.3
93.07036	2.6
95.04958	1.4
95.06049	0.2
95.08603	5.1
97.06544	0.3
97.10191	0.3
103.05447	0.5
105.03376	0.4
105.07027	11.0
107.04958	2.3
107.08585	2.8
108.08948	0.2
109.06513	0.3
109.10148	3.2
110.07169	0.2
111.04443	0.7
115.05446	0.5
117.03375	7.8
117.07021	0.5
119.08579	5.6
121.06477	0.2
121.10145	1.8
123.04420	0.7
123.11698	1.3
128.06244	0.2
129.07011	0.3
130.06493	0.2
131.04903	1.0
131.08543	1.2
133.02834	0.7
133.10130	5.5
135.04411	21.8
135.11678	0.9
136.04742	0.3
137.05977	0.6
137.13316	0.4
139.03949	0.2
141.06975	0.3
143.04932	0.4
143.08580	0.3
145.02840	12.2
145.06480	0.4
145.10115	1.0
147.04376	1.2
147.11681	6.3
149.05975	0.7
149.09644	0.3
149.13252	0.7
151.14824	0.2
153.07001	0.7
155.08588	0.2
157.06483	0.5
157.10114	0.3
158.06015	0.4
159.04420	1.3
159.08017	0.3
159.11665	0.4
161.05978	1.4
161.13245	1.3
163.03897	100.0
163.14799	0.3
164.04254	1.5
165.07033	0.4
167.08574	0.6
169.06453	0.4
171.11626	0.3
173.05960	3.8
173.11829	0.3
173.13297	0.3
173.88898	0.2
175.03944	1.3
175.07585	0.3
175.14764	0.8
176.04706	1.1
177.05458	1.2
177.16338	0.9
178.07800	0.4
179.08598	0.7
181.05029	0.3
181.06483	1.0
181.10141	0.3
183.08089	0.2
185.05957	0.2
186.05521	1.0
187.03911	0.3
187.07550	1.1
187.14735	0.2
189.05438	0.8
189.16380	6.1
190.17053	0.4
191.08632	0.3
193.06566	0.2
193.10173	0.5
195.08052	0.5
197.06075	0.5
199.07533	1.9
199.14943	0.2
201.05580	0.4
201.09044	0.3
201.16399	0.4
203.07094	0.3
203.17943	3.7
204.18723	0.4
205.15875	1.9
206.07324	0.3
207.08099	0.9
207.11880	0.2
207.17509	0.2
209.09735	0.2
210.06641	0.2
211.07550	1.1
213.05464	1.3
213.09099	0.8
215.06996	0.3
215.10710	0.2
219.11792	0.3
220.08896	0.2
221.09608	0.8
223.07533	0.5
225.09090	1.1
227.07016	0.2
227.10648	0.2
229.14326	0.4
230.14630	0.2
235.07465	0.2
235.11082	0.4
237.09084	0.7
239.10675	0.8
241.08635	0.3
241.12250	0.3
247.11247	0.4
248.08253	0.2
249.12708	0.4
251.10687	0.2
253.12202	0.5
258.19540	0.2
262.13589	1.0
263.10757	0.2
263.14215	0.6
265.12372	0.2
267.13757	0.5
279.13681	0.3
281.11621	0.6
281.15277	0.6
289.07120	0.2
291.13788	0.3
305.15616	0.4
305.18918	1.7
306.19583	0.2
309.14722	0.5
319.08072	3.0
319.20633	0.3
321.18509	2.5
322.18729	0.2
323.16486	0.5
323.20029	6.3
337.09204	2.3
337.17889	0.4
337.21634	3.0
347.20007	1.3
363.19260	0.2
365.21103	11.1
366.21454	0.4
379.10434	0.2
423.27240	0.2
425.42737	0.2
497.10672	1.2
499.12463	1.3
504.34348	0.2
701.29443	1.4
718.45679	0.3
719.46234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97520	2.0
71.59929	4.1
107.90031	2.1
144.78209	2.1
451.19766	2.0
535.49274	2.7
545.68536	2.8
635.46967	2.2
717.46777	100.0
718.47192	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	715.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96586	0.7
69.53377	3.8
69.81195	0.5
71.79560	0.5
78.47202	0.6
85.02928	1.0
97.02936	0.8
104.39400	0.5
112.89624	0.8
116.98627	0.9
127.03947	1.4
133.18466	0.7
139.00800	1.7
143.00179	0.8
145.00826	1.5
145.04913	0.8
146.99780	0.6
147.04486	2.1
148.01282	1.0
151.00833	1.3
154.01265	1.0
156.04295	2.0
160.01410	2.2
161.01282	1.0
165.53716	0.5
166.01385	1.3
166.95132	0.6
169.01862	1.3
172.95248	0.9
175.01900	1.0
177.05469	1.0
178.01404	0.8
181.01889	1.8
187.01860	1.1
190.02470	1.8
196.02437	1.7
211.02917	3.2
211.53143	0.6
219.01892	1.2
228.94295	0.9
231.01788	0.7
232.03453	2.4
239.02356	1.3
245.05176	1.1
257.03342	0.7
262.04337	0.6
283.05038	0.7
292.05621	4.2
292.55844	1.0
313.06314	1.1
373.03149	9.4
373.08463	3.1
373.58563	0.8
381.08096	1.0
382.08728	0.8
454.11081	0.9
463.11938	0.7
543.13385	9.2
544.13965	1.3
548.91699	0.7
559.11530	0.8
697.15002	5.2
715.16412	100.0
716.16766	3.9
741.88470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3306
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
50.38565	0.7
54.71794	0.6
60.93645	0.6
70.84899	2.1
71.69788	0.8
76.77620	0.6
92.52692	0.7
93.47989	0.7
132.17302	0.7
138.10266	0.7
143.68854	0.6
161.43958	0.7
436.21506	0.7
459.99652	0.7
502.04102	0.6
518.34473	0.7
715.33044	100.0
716.33289	2.6
735.09686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05510	11.7
56.05027	3.1
57.07084	4.7
60.04524	28.0
67.05169	1.5
67.05503	22.3
69.06715	1.3
69.07069	14.5
69.79303	0.9
70.06588	4.0
71.04992	1.0
71.08618	2.6
71.42728	1.6
79.05495	15.7
81.07056	20.6
82.06596	1.2
83.04961	1.0
83.08612	12.3
84.08141	0.9
85.10147	1.1
86.06090	1.0
91.05489	2.3
93.07039	16.3
95.04978	1.4
95.08608	16.6
96.08130	3.7
97.06528	1.2
97.10178	7.1
100.07619	1.3
100.69041	0.7
107.08603	9.7
109.10147	7.1
111.08092	1.3
111.11721	2.4
114.09173	1.0
121.10148	11.3
123.11754	1.2
135.11682	7.9
137.13229	0.8
149.13258	1.8
247.24174	1.6
254.24661	1.1
264.26825	11.5
272.25897	5.4
282.27905	21.9
344.05457	0.9
397.06680	0.8
488.48267	1.4
518.49316	6.7
536.50372	100.0
537.50531	4.2
554.51416	35.3
555.51599	1.6
577.84161	0.9
698.55652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71048	0.2
53.03902	0.4
55.05459	0.7
67.05455	0.8
67.18656	0.3
69.03390	0.6
69.07027	0.6
69.37378	1.1
69.37802	2.0
79.05458	0.4
81.03373	0.6
81.07008	1.0
83.08566	0.8
83.10197	0.3
85.02880	0.4
89.05955	0.5
91.05442	0.4
92.10786	0.3
93.06997	0.3
94.17877	0.3
95.04911	0.5
95.08541	1.2
97.02837	0.8
97.06487	0.5
97.10164	0.4
105.06995	0.6
107.08545	0.5
109.02784	0.9
109.10172	1.4
111.04371	0.3
111.11665	0.5
117.03343	0.4
119.08508	0.8
120.01776	1.0
121.02586	0.3
121.10148	0.3
123.04401	0.3
127.03854	1.3
133.10100	0.7
135.04448	1.3
138.02876	0.6
145.02748	1.0
147.11620	0.3
153.01723	0.3
161.13182	0.4
163.02553	0.5
163.03893	10.1
164.04169	0.9
167.03160	2.0
171.13713	0.6
181.04849	0.9
182.02100	0.3
189.08894	0.3
191.03157	0.5
197.08046	0.6
207.10004	0.4
219.06302	1.8
247.05861	0.5
255.07076	0.8
259.09644	0.5
260.09863	0.3
270.66913	0.4
273.03766	0.4
273.08218	0.6
275.04321	0.4
295.11533	13.2
300.31808	0.4
307.02457	0.5
335.01727	0.5
337.03226	0.4
339.27170	0.3
345.08267	0.6
352.73599	0.3
363.10489	4.4
379.10388	0.4
391.13840	0.4
391.19382	0.7
405.11511	0.8
411.09183	2.1
421.14758	0.8
429.71362	0.3
441.21091	0.6
449.14261	1.2
473.17319	0.6
491.18866	64.8
492.19220	2.7
509.18582	0.3
517.24048	1.6
534.82031	0.3
588.21362	0.5
596.76709	0.3
606.24939	0.3
695.29956	2.2
702.17468	0.4
713.31348	100.0
714.31696	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	713.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07021	0.3
58.22139	0.3
67.05439	1.0
68.21879	0.3
69.03384	0.4
69.35131	3.5
71.98691	0.3
76.86286	0.3
79.05464	0.5
80.37042	0.2
81.03360	0.7
81.07016	0.7
83.08583	0.4
85.02883	0.6
85.08833	0.3
91.05431	0.7
93.06989	0.7
95.08556	0.6
97.02831	0.9
97.06484	0.5
98.21530	0.6
107.08557	0.7
109.02790	1.0
109.06443	0.3
109.10107	0.9
111.04359	0.5
119.08530	0.4
120.01815	1.6
121.02686	0.5
121.10085	0.5
127.03859	1.0
131.08524	0.4
133.10120	0.6
135.07991	0.3
135.11647	0.4
137.05942	0.5
138.02797	0.9
139.03802	0.4
147.04338	0.5
147.08032	0.4
163.03920	0.3
167.03215	2.7
167.06955	0.3
183.22211	0.3
189.08943	0.6
197.08037	0.4
219.06296	1.7
227.05157	0.4
233.23946	0.3
247.05791	0.8
255.07169	0.6
295.11545	12.0
336.14130	0.5
363.10471	4.1
405.11612	0.7
421.14725	1.1
441.21664	0.3
449.13971	0.9
456.83533	0.5
491.18887	59.1
492.19296	3.1
517.24280	1.6
695.29913	1.7
713.31427	100.0
714.31714	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	713.1924
Annotation	Primflasine
Peak:m/z	Relative Intensity
52.32262	0.2
55.01864	0.3
55.05488	0.2
57.03441	2.1
59.04972	0.4
61.02895	0.4
64.51730	0.2
65.03906	0.2
67.05489	0.2
68.80878	0.1
68.99791	0.4
69.03432	6.7
71.04967	0.3
71.48438	0.4
73.02885	0.4
75.04446	0.4
81.03393	0.6
83.04979	0.2
85.02447	0.4
85.02911	5.9
86.09644	0.2
87.04471	4.3
91.03899	0.3
91.05463	0.2
95.04969	0.3
97.02296	0.3
97.02892	5.1
99.04455	0.3
105.07004	0.5
107.04951	0.2
109.02860	0.4
111.00813	0.3
111.04437	0.3
115.03935	4.9
115.05336	0.2
117.03345	0.4
119.04917	0.2
121.02847	1.2
127.03919	2.5
130.48105	0.2
131.04887	0.3
133.04025	0.3
133.04970	4.7
133.06490	0.3
135.27960	0.2
137.02315	0.4
141.18088	0.2
145.02815	0.7
145.04947	0.9
145.06497	0.2
147.04372	0.8
153.01807	1.6
157.06419	0.3
157.32643	0.2
161.05962	0.6
163.03867	0.2
163.07623	0.3
165.01848	1.0
167.07053	0.4
167.78094	0.2
177.05464	1.5
179.06931	0.2
183.02895	0.6
186.09995	0.2
189.05519	0.3
191.07089	1.2
193.08658	0.3
195.06239	0.2
195.08072	0.3
197.08075	0.6
209.06087	0.4
209.08080	0.8
213.05501	0.5
213.09053	0.3
214.09509	0.3
219.08084	0.2
223.07642	0.2
225.09100	0.7
226.09402	0.5
231.06546	0.4
237.09137	0.7
238.09390	0.7
239.10648	0.4
241.04921	0.5
255.10188	0.5
256.10510	0.4
258.05212	0.4
265.08572	0.3
266.09085	0.3
269.04498	0.2
270.08414	0.2
283.09549	0.3
284.09979	0.5
287.05502	100.0
288.05841	3.5
299.05774	0.2
311.09048	0.5
312.09555	0.7
329.06665	0.4
349.67896	0.2
389.23044	0.3
419.09735	25.6
420.10107	1.3
425.10678	0.3
457.15027	0.3
458.15274	0.7
486.14914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95790	1.2
53.03939	2.7
55.01862	6.1
55.05519	14.8
57.03438	14.0
57.07059	2.1
61.02913	3.1
65.03928	1.5
67.05505	51.1
68.53339	1.3
69.03452	1.7
69.06780	1.3
69.07069	16.0
71.04975	4.1
71.22318	3.4
79.05067	2.8
79.05494	37.9
81.03400	2.4
81.07058	39.7
83.04984	15.3
83.08621	8.7
85.02890	4.0
85.06536	2.5
91.05478	18.4
93.07046	53.6
95.04974	4.7
95.08604	28.2
97.06535	8.6
97.10180	6.3
99.08097	1.4
103.81345	1.3
105.07027	10.9
107.04939	1.9
107.08593	34.9
109.06541	2.0
109.10155	16.2
111.08061	4.6
117.07012	6.0
119.08562	10.2
121.10142	18.1
123.08031	1.7
123.11689	3.9
131.08548	4.3
133.10152	8.7
135.11690	38.5
137.09673	1.6
145.10126	11.7
147.11697	3.9
149.13268	4.3
153.12717	7.2
153.86395	1.6
159.11691	3.2
163.11182	4.7
163.14841	1.7
173.13171	1.4
181.12225	8.7
199.13231	2.4
227.12927	1.8
243.21069	3.2
255.15929	65.0
261.22122	10.3
296.01599	1.3
317.24716	2.3
330.35382	1.4
335.25800	73.4
336.26193	1.8
423.32666	1.8
441.33234	1.8
515.37372	100.0
516.37640	4.6
533.38568	3.0
555.83600	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.2
53.03936	1.0
55.01878	0.4
57.03413	0.3
63.02391	0.8
67.01861	0.2
67.05511	0.3
68.99786	0.4
69.03432	0.9
70.06597	0.7
71.04990	0.5
71.59555	0.3
73.32551	0.2
77.03944	0.3
78.04681	0.3
79.05495	1.5
81.03414	5.6
81.06275	0.2
81.07059	0.6
84.20416	0.2
85.02907	0.6
85.07776	0.2
87.00830	0.7
89.03912	10.9
91.05479	0.9
93.07051	0.4
95.04957	1.0
95.08575	0.2
97.02887	25.8
99.04443	0.6
103.05470	0.4
105.01881	0.2
105.07005	0.3
106.04137	0.3
107.04960	2.6
107.08585	0.2
109.02872	10.2
115.05482	0.2
117.03374	20.1
119.04920	0.5
119.08569	0.3
121.02860	0.3
121.06476	0.2
121.10102	0.3
122.03574	0.3
123.04500	0.3
125.02339	1.8
127.03910	37.5
128.06213	0.2
130.06523	0.6
131.04910	0.7
131.06868	0.2
133.02856	0.7
133.06451	0.3
134.03607	1.1
135.04414	19.1
137.05960	1.7
141.06996	0.4
145.02840	47.5
146.03268	0.4
147.04396	1.1
149.05974	4.6
151.03915	0.7
152.06261	0.3
153.01820	0.2
153.07033	0.9
155.04878	0.3
157.06522	0.3
158.05986	0.7
161.05988	0.3
162.03127	0.2
163.03896	100.0
164.04153	0.9
165.05482	0.2
167.06993	0.5
169.06503	0.5
173.05910	0.4
175.07616	0.4
177.05461	73.3
178.05798	0.6
181.04976	0.4
181.06483	1.9
185.05937	0.3
186.05476	2.2
187.07567	0.4
188.04738	0.3
189.05566	0.5
189.09091	0.2
191.07024	0.3
195.06512	3.9
195.08231	0.3
197.05984	0.5
198.06654	0.5
199.07649	0.4
201.05504	0.6
201.09131	0.3
203.03346	0.2
203.07071	0.7
209.06068	1.2
210.06622	0.2
211.07535	0.3
213.03905	1.4
213.09097	0.7
215.07008	0.8
217.08655	0.3
221.04465	1.1
225.05424	0.5
226.06223	0.6
227.06905	0.4
229.04961	0.5
229.08632	0.6
231.10106	0.4
233.08009	0.3
239.07039	0.3
241.08592	3.3
242.05772	0.3
243.06526	1.5
247.05962	1.3
253.04944	0.4
257.08124	1.1
259.09665	1.0
261.07516	2.2
267.06464	0.5
270.05054	0.3
271.06027	1.2
285.07547	4.7
289.07043	0.3
301.31235	0.2
303.08688	1.4
305.06134	0.2
321.09579	0.3
345.09583	0.2
389.08401	0.5
393.07983	0.4
407.09796	1.0
421.16196	0.2
422.74658	0.2
425.10764	10.7
551.13806	0.4
575.83270	0.2
587.13947	6.4
588.14984	0.2
737.53992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01877	2.2
55.05501	1.5
65.03928	3.7
67.05511	5.0
69.03425	5.1
69.39143	4.8
69.39569	3.2
70.68080	0.7
83.04980	11.1
85.02896	4.1
91.05501	2.4
93.03400	4.4
95.01318	1.3
95.04966	11.0
95.47636	0.8
97.02891	2.4
105.07015	1.2
107.04958	18.3
111.04442	16.1
115.05463	5.6
117.07025	13.0
119.04951	3.6
121.02859	15.2
123.04410	1.2
128.06264	1.5
129.05484	5.7
129.07014	1.1
131.04938	5.4
133.06479	2.4
139.03908	8.2
143.04929	2.6
144.05730	3.8
145.06477	10.4
147.04416	5.6
147.06471	1.4
152.06166	1.9
153.07005	1.6
157.04999	5.1
161.05966	3.1
163.07541	1.4
165.05684	0.8
165.06917	3.7
166.07811	3.2
167.08571	8.0
171.04408	3.8
171.08057	4.1
173.05954	1.0
175.03949	1.2
175.06111	0.9
175.07521	0.8
177.05479	1.1
177.06990	2.3
178.07814	2.4
179.08586	2.7
181.06485	13.2
181.10092	8.6
182.07277	1.9
183.08066	26.9
184.08427	1.1
185.09618	16.2
189.05447	9.6
190.07831	1.2
191.06914	0.9
191.08560	12.5
193.07179	0.9
193.10139	3.3
194.07269	11.4
195.08057	29.3
196.08641	1.4
197.09610	19.7
199.07539	4.5
202.07779	1.9
203.08548	3.4
207.06482	2.3
207.08136	1.8
209.03989	1.6
209.06030	29.4
209.09608	53.3
210.06371	1.5
210.10114	1.2
211.07582	3.3
211.11188	3.8
213.09103	33.5
214.09476	1.2
217.05017	1.0
217.06949	1.1
219.08022	16.5
220.08617	1.2
221.09593	11.2
223.07536	48.8
224.08015	2.4
225.09099	63.4
226.09476	3.0
227.07072	1.2
229.07533	1.8
233.05893	1.2
235.05952	2.1
237.09106	100.0
238.09338	4.0
239.10657	33.2
241.08595	22.3
241.12257	0.9
242.09058	1.0
247.07477	4.3
249.05380	1.1
251.07106	4.1
255.10164	59.9
256.10611	1.5
265.08603	38.7
266.08902	2.4
267.06506	0.8
267.10449	1.3
269.08093	18.4
270.13000	0.8
283.09659	59.5
284.09955	3.2
285.11127	1.2
287.05493	2.8
287.08896	1.4
293.08170	4.6
301.10715	18.5
302.11047	1.1
311.05478	1.8
311.09134	37.1
312.09479	2.5
313.11670	1.6
314.12137	1.6
329.10165	12.1
373.13959	5.1
374.14224	5.4
391.10123	1.6
393.13235	4.0
397.12744	2.1
399.14249	1.3
409.11353	0.9
411.14368	5.7
421.12659	5.1
425.12128	1.9
429.15430	2.0
439.13876	29.0
440.14200	2.7
443.13513	5.6
457.14969	63.2
458.14978	4.7
459.16531	2.7
467.13644	5.6
469.34787	0.9
475.15707	1.0
485.14420	45.7
486.14807	3.8
503.15494	16.2
504.15710	1.5
567.15088	0.8
613.19006	1.1
617.19086	1.2
631.19904	3.2
641.18286	1.3
659.19794	11.2
660.19910	1.9
677.20831	15.2
678.20667	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06156	0.1
53.03937	0.2
55.01855	0.7
55.05490	0.5
57.03441	2.3
59.04985	0.4
61.02892	0.3
62.16642	0.2
65.03937	0.8
66.70052	0.2
67.05514	1.5
68.99800	0.2
69.03431	8.0
70.06574	0.2
71.34261	0.2
71.34586	0.2
72.08165	0.2
73.02895	0.4
74.09706	0.2
75.04433	0.3
80.32652	0.2
81.03399	0.4
83.04977	3.7
85.02909	6.7
87.04469	3.7
88.15211	0.2
91.05465	0.6
93.03439	0.8
95.04436	0.3
95.04972	3.1
95.80612	0.2
97.02271	0.3
97.02893	5.0
99.04417	0.2
103.05455	0.4
105.03349	0.2
105.06990	0.2
107.04951	5.5
109.02869	0.5
109.92114	0.2
111.00803	0.4
111.03696	0.3
111.04446	5.5
115.03162	0.2
115.03936	4.0
115.05431	1.3
117.07025	3.3
119.04927	0.7
121.02868	3.3
121.06505	0.3
121.07356	0.2
124.41766	0.1
127.03885	1.1
128.06157	0.2
129.05475	2.1
129.06958	0.2
131.04945	1.3
133.02821	0.5
133.04973	4.2
133.06512	0.9
135.04427	0.3
137.02341	0.5
137.05910	0.3
139.03896	2.2
140.08118	0.4
140.39059	0.2
143.04950	0.9
144.05672	0.8
145.02716	0.2
145.04919	0.6
145.06487	2.6
147.04396	1.6
147.06476	0.6
149.05899	0.2
152.06206	0.6
153.01834	1.8
153.06960	0.4
157.04951	1.8
157.06349	0.3
157.10075	0.3
159.66501	0.2
161.05969	0.9
163.03952	0.2
163.07510	0.3
165.01849	1.2
165.05728	0.2
165.06934	1.0
166.07764	0.7
166.71202	0.2
167.07089	0.2
167.08560	4.2
169.06429	0.2
170.07225	0.2
171.04399	1.5
171.08011	0.4
173.05984	0.3
175.03918	0.4
175.06013	0.3
177.05464	0.5
177.06927	0.4
178.07767	0.5
179.08551	0.7
179.13777	0.2
181.04938	0.1
181.06468	3.8
181.10112	3.0
182.07156	0.6
183.02866	0.6
183.08052	8.9
184.08298	0.2
185.06027	0.2
185.09616	8.4
186.09891	0.3
189.05470	3.3
189.07082	0.2
190.07867	0.3
191.08546	4.2
193.07008	0.6
193.10104	0.8
194.07272	4.0
195.08057	7.1
196.08852	0.4
197.05962	0.6
197.09612	5.8
198.09967	0.3
199.07513	0.4
202.07774	0.6
203.08569	1.0
205.06404	0.3
206.07275	0.2
207.06451	0.6
207.08128	0.7
207.78951	0.2
208.08792	0.2
209.06010	17.3
209.09604	17.0
210.06317	0.7
210.09943	0.6
211.07568	1.5
211.11172	0.6
213.05693	0.5
213.09106	16.9
214.09427	0.5
217.04834	0.2
217.06969	0.3
218.07262	0.4
219.08034	5.4
220.08592	0.3
221.09624	3.2
222.06870	0.3
223.07544	14.8
224.07985	0.7
225.09108	26.0
226.09459	0.9
227.07092	0.7
229.07478	0.6
231.06415	0.3
235.05824	0.2
237.09105	30.8
238.09521	1.3
239.10670	12.8
240.11046	0.6
241.04831	0.6
241.08614	7.2
247.07454	1.2
249.09169	0.3
251.07080	1.2
255.10170	21.5
256.10477	0.7
258.05246	0.8
259.05887	0.4
265.08594	8.4
265.11441	0.4
266.08963	0.6
267.10126	0.3
269.08102	7.9
270.08438	0.3
281.29889	0.2
283.09662	20.3
284.09988	0.7
287.05499	100.0
293.08289	1.1
301.10709	6.3
302.10971	0.2
311.09131	16.5
312.09467	0.8
325.82053	0.2
329.06668	0.5
329.10162	4.5
330.10474	0.2
341.06802	0.2
391.10043	0.5
393.13412	1.2
397.12833	0.5
409.11047	0.4
411.14374	2.0
419.09738	23.1
421.12894	1.4
425.12219	0.6
429.15430	0.2
439.13904	9.4
440.14267	0.6
443.13416	2.1
449.10962	0.3
457.14963	19.2
458.15167	1.1
459.16666	0.4
467.13458	1.5
475.15744	0.3
485.14447	17.6
486.14590	1.2
503.15497	5.7
504.16193	0.3
581.14832	0.2
617.18451	0.3
631.19849	0.5
641.18744	0.4
658.56207	0.2
659.19781	2.3
660.21283	0.3
677.20709	3.3
678.21161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.2
51.02388	0.3
53.03945	1.1
55.01879	0.5
55.05509	0.8
57.03444	0.5
57.07070	0.2
61.02918	0.3
63.02372	0.4
65.03938	0.4
67.01864	0.9
67.05509	1.2
68.99798	0.9
69.03069	0.3
69.03432	3.8
69.07069	0.6
69.79752	0.5
69.80188	0.7
71.01342	0.2
71.05004	1.1
73.02931	0.2
77.03934	0.8
78.04712	0.6
78.47826	0.2
79.05499	2.2
81.03422	7.3
81.07063	1.7
83.04975	0.7
83.08611	0.5
85.02907	2.8
87.00842	0.8
89.03920	5.0
91.05488	1.8
93.07057	2.3
95.04965	1.9
95.08610	2.1
97.02901	4.7
97.06531	0.4
97.10160	0.3
98.21411	0.2
99.04463	1.9
101.15636	0.2
103.05479	0.2
105.01881	0.2
105.03400	1.2
105.07034	2.1
106.04185	0.6
107.04958	2.4
107.08610	2.2
109.02885	7.0
109.06502	0.4
109.10155	1.5
111.04437	1.1
115.03952	0.4
115.05476	0.3
117.03385	5.7
117.07018	0.5
119.04928	0.2
119.08595	3.3
119.09411	0.1
121.02847	0.2
121.06540	0.5
121.10155	2.3
123.04403	1.2
123.08095	0.2
123.11706	0.4
125.06003	0.3
125.09698	0.2
126.03216	0.2
127.03922	6.8
129.01863	0.2
129.06995	0.5
131.04936	0.3
131.08556	0.9
133.02864	3.1
133.06532	0.3
133.10130	2.2
134.03639	8.8
134.73917	0.2
135.04422	14.1
135.08029	0.3
135.11693	1.2
137.02342	1.5
137.05951	0.4
139.07579	0.2
141.07008	0.2
142.07759	0.2
143.08589	0.7
144.09372	0.2
145.02855	10.2
145.10123	1.4
147.04382	0.3
147.08061	0.3
147.11711	1.0
149.09605	0.5
149.13269	0.4
151.07538	0.2
153.01836	12.4
155.08568	0.4
156.09369	0.2
157.06535	0.2
157.10162	1.3
158.05997	0.3
159.08069	0.5
159.11682	1.0
159.49489	0.2
161.02327	0.3
161.06012	0.4
161.09613	0.5
161.13289	0.4
162.03140	2.6
163.03909	100.0
163.14845	0.2
164.04262	0.6
165.09126	0.4
168.09312	0.2
169.10164	0.7
170.10947	0.2
171.04416	0.3
171.08086	0.3
171.11699	1.1
173.02347	0.3
173.05951	0.3
173.09625	0.2
173.13255	0.6
175.03906	0.3
175.11188	0.4
175.14890	0.2
177.05504	0.5
177.09067	0.2
179.03453	0.6
179.10709	0.4
180.04204	0.6
181.04965	0.7
181.06400	0.2
183.11629	0.4
185.09579	0.2
185.13283	0.9
186.05519	0.6
187.11191	0.5
187.14851	0.8
189.05446	0.3
189.09142	0.2
189.16377	1.1
191.03406	6.9
191.10623	0.3
193.12184	0.2
195.11711	0.3
197.13301	0.2
199.03822	0.4
199.11163	0.6
199.14861	0.3
201.05437	0.5
201.12849	0.3
201.16428	0.3
203.03416	0.3
203.10759	0.2
205.12274	0.3
209.13332	0.2
211.11226	0.3
211.14796	0.3
213.03894	0.4
213.12767	0.7
215.14288	0.3
217.04958	0.5
217.12231	0.6
219.13741	0.2
225.05420	0.2
225.12886	0.2
225.16365	0.4
227.03401	1.5
227.17920	0.4
229.04959	0.6
231.04843	0.2
231.13791	0.7
233.15356	0.3
237.12820	0.2
239.17944	0.3
241.19585	0.2
243.13527	0.2
245.04471	1.8
245.15326	0.4
247.06062	2.5
251.18037	0.3
255.02821	1.1
257.04562	0.3
265.15967	0.2
267.17529	0.3
269.19070	0.7
271.06049	0.6
273.03949	33.6
274.04590	0.6
277.07098	0.2
281.19131	0.2
283.15320	0.2
285.03970	0.6
285.18542	0.6
287.20081	4.7
289.07111	0.5
299.20126	0.7
301.03455	8.7
301.21600	0.7
302.04214	5.8
303.05008	7.4
305.06503	0.4
307.08133	1.4
327.19482	0.3
329.20920	0.2
351.06992	0.2
363.06989	0.2
367.22736	0.2
381.24084	0.3
391.22803	0.9
392.07373	0.2
393.08145	1.3
409.08057	0.3
409.23602	1.9
410.08481	1.1
411.09253	9.3
417.06387	0.2
427.24655	0.2
439.08536	0.2
445.05655	0.3
451.19440	0.5
463.06573	3.7
491.18585	0.3
495.23300	0.2
501.23486	0.4
524.37958	0.2
607.10632	0.3
675.27179	0.2
693.10626	0.2
693.28784	0.4
711.11414	3.7
711.34125	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	710.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.1
57.03437	7.8
65.03937	1.8
67.05505	39.9
69.07061	8.4
69.58522	8.0
69.58952	7.0
79.05499	20.5
79.10440	1.9
81.07059	25.8
83.04983	2.4
83.08617	2.8
91.05485	73.8
93.07047	16.8
95.04977	5.9
95.08604	21.4
97.10191	2.2
105.07037	28.8
107.08598	13.0
109.06527	1.9
109.10169	9.5
117.07002	4.8
119.08574	5.6
121.10153	10.0
122.12395	2.2
123.11724	2.7
128.06226	2.5
131.08571	8.2
131.21371	2.4
133.10138	100.0
134.41357	1.6
135.11703	10.7
143.08549	5.9
145.10132	3.3
147.11688	4.1
149.09685	2.8
149.13226	2.2
151.11227	5.8
161.09605	12.7
167.66713	1.9
179.10683	3.7
189.30815	2.0
197.11748	3.6
202.21275	1.7
231.87552	2.1
243.21077	2.9
251.12889	2.7
253.14362	67.9
261.22192	8.4
317.24789	2.4
335.25809	81.9
400.32236	2.2
428.22925	2.0
513.35773	68.5
514.35815	1.9
521.37811	2.6
531.36713	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.1
55.01879	0.2
55.05503	0.5
57.03429	0.2
60.99520	0.1
67.05505	1.0
69.03412	0.3
69.07056	0.9
69.86847	0.8
70.25847	0.2
73.02898	0.2
79.05484	1.2
81.03426	0.5
81.07068	0.8
83.04970	0.4
83.08611	0.2
85.02910	0.5
91.05484	0.5
93.07045	0.7
95.04980	0.4
95.08624	0.5
97.02884	0.3
97.06526	3.4
98.21410	0.2
105.07014	1.1
106.41953	0.2
107.04955	0.3
107.08604	1.0
108.08991	0.2
109.06572	0.2
109.10159	0.7
109.84258	0.1
110.02314	0.2
117.06982	0.2
119.08598	0.5
120.01844	1.6
121.02635	0.2
121.10142	0.2
123.08092	0.2
125.85236	0.2
127.03956	0.3
131.08562	0.2
132.46962	0.2
133.02632	1.0
133.06494	0.4
133.10167	0.5
135.04419	0.4
135.11682	0.2
138.02875	0.2
145.02832	0.3
149.09666	0.4
161.02364	0.4
161.04745	0.2
161.05901	1.0
163.03905	2.4
165.09126	0.7
167.03210	0.8
169.04755	0.6
173.02344	1.0
189.09041	0.8
193.08525	0.2
194.08987	0.2
203.10429	0.2
206.00850	0.2
211.13338	0.2
215.07027	2.1
216.07307	0.2
217.04716	1.3
231.06270	0.2
232.07060	10.6
233.07843	2.4
259.09647	5.2
259.12271	0.2
260.10117	0.2
261.07425	0.5
267.12167	0.2
273.09720	0.4
284.12714	0.3
284.63065	0.4
295.11526	7.4
295.36020	0.2
298.06451	0.2
336.14178	0.3
349.23764	1.4
350.24039	2.0
355.18771	0.9
365.15359	1.1
365.65594	1.1
366.15594	0.3
377.11905	1.0
391.13641	1.3
397.20151	0.2
453.97266	0.2
463.15756	0.3
474.18781	0.7
475.19202	0.4
483.23712	0.7
499.23026	4.6
505.20447	18.8
506.20941	0.5
601.22754	0.5
709.31879	100.0
710.32312	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	709.32
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.05515	1.6
57.03439	0.5
57.07082	4.0
65.03951	0.5
67.05204	0.2
67.05509	7.3
69.03430	1.2
69.07074	9.4
70.06590	0.7
70.10332	0.6
70.10710	1.2
71.04996	0.7
71.08639	1.0
72.08155	0.3
74.06100	0.6
79.05490	5.8
81.03423	1.0
81.07062	100.0
82.07371	0.6
83.04996	0.6
83.08617	0.6
85.02911	2.7
85.06549	0.6
86.09743	0.4
87.00832	0.6
89.03935	0.3
91.05486	0.8
93.07053	2.8
95.04964	2.1
95.08610	47.1
96.08943	0.6
97.02888	1.9
97.06545	2.3
98.21418	0.4
98.98470	4.5
99.04449	0.8
99.08105	0.5
105.01890	0.9
105.07024	2.2
107.04955	0.4
107.08611	2.1
109.02895	1.1
109.06525	4.2
109.10148	4.1
111.08090	0.4
115.03880	0.3
115.07584	0.8
116.99540	0.4
117.07076	0.3
119.08568	1.2
120.08088	0.4
121.10150	2.7
123.08083	1.2
123.11710	0.6
125.09683	0.4
127.03907	2.7
127.07629	0.3
129.10258	0.3
131.08569	1.8
133.10135	7.7
135.08087	1.1
135.11685	0.9
137.05971	0.3
137.13261	69.4
138.13614	0.8
145.02850	0.4
145.04991	0.6
145.10133	0.9
147.04424	0.8
147.11707	4.4
149.09619	0.6
149.13289	1.0
151.11113	0.3
153.07965	0.4
153.09103	1.9
158.10980	0.4
159.11720	0.3
160.42186	0.3
161.06017	0.4
163.03928	0.4
163.11154	0.5
163.14909	0.6
165.12798	1.6
167.07005	0.4
173.11917	0.5
173.13290	4.2
175.14838	0.7
177.05490	1.1
179.10388	0.2
190.96036	0.3
191.14319	8.7
209.15381	14.4
213.03908	0.6
225.14644	0.3
227.16423	16.5
231.05081	0.4
234.09233	0.3
235.10959	12.3
236.11394	0.3
241.09624	0.3
311.01556	0.5
313.11969	0.4
343.13116	0.4
355.08344	0.4
356.08588	0.4
373.13992	1.0
375.25836	0.3
389.13580	0.3
399.10632	0.3
401.11481	0.6
413.85226	0.3
439.19565	0.7
457.20596	0.5
475.18860	0.5
644.82159	0.3
708.42877	0.5
709.43433	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01868	1.7
55.05490	1.3
57.03431	1.4
59.04982	1.0
65.03945	0.7
67.01846	0.6
67.05498	2.9
69.03429	9.4
69.07057	2.4
69.56389	4.9
70.06577	0.6
71.05004	2.9
73.02914	1.0
79.05493	4.8
81.03420	18.2
81.07062	7.1
83.01321	1.1
83.04983	2.1
83.08607	1.7
85.02913	3.0
86.09702	1.2
88.44423	0.6
91.05478	7.0
93.07050	10.6
95.04979	2.5
95.08616	6.3
97.02894	18.6
97.06545	1.4
99.04440	3.9
103.05453	0.9
105.06370	1.2
105.07024	11.6
107.04977	1.3
107.08592	12.9
109.02881	100.0
109.06523	6.2
109.10130	2.8
110.03152	0.7
111.04441	3.5
111.08086	5.5
113.06017	1.5
117.07005	1.6
119.04953	1.3
119.08582	30.3
120.08110	1.1
121.06527	2.6
121.10140	12.0
123.04525	0.7
123.08080	9.0
123.11707	3.0
124.08826	1.0
125.09631	66.6
126.09982	1.1
127.03918	65.3
130.07828	0.7
131.04947	0.7
131.08565	1.1
133.06505	1.7
133.10130	24.6
135.08035	1.6
135.11708	3.7
137.05971	2.2
137.09624	3.9
138.74191	0.6
143.08575	4.2
145.02913	0.7
145.04968	7.7
145.06482	1.3
145.10138	2.7
147.04420	3.2
147.08044	15.9
148.04774	1.0
149.06042	0.8
149.09599	1.1
151.07570	1.5
151.11209	3.6
157.10092	1.3
159.11717	1.5
161.05986	0.8
161.09627	19.5
163.03900	1.3
163.07529	1.7
163.11163	3.1
165.05457	0.6
165.09113	18.3
169.10139	0.7
171.08000	1.3
171.11671	1.0
173.09697	0.7
175.11188	1.3
175.14772	0.6
177.05498	1.6
179.10675	14.0
181.04927	1.0
185.13342	1.0
187.85155	0.6
189.07423	0.8
189.09116	13.8
191.10664	1.3
193.08492	0.7
193.12137	0.7
199.11450	0.7
199.14751	0.7
201.12744	0.8
203.10748	0.7
205.45482	0.6
207.08237	1.3
207.10167	22.8
215.10580	0.7
225.11214	35.9
229.15907	0.7
240.46550	0.6
249.11241	0.7
256.47568	0.6
267.12460	3.4
267.17792	0.8
271.16928	1.8
285.18567	0.6
289.17938	2.0
295.16898	1.1
303.19391	1.1
313.17990	2.5
315.12344	2.1
331.19025	11.6
333.13315	5.6
349.20087	18.8
351.14395	9.7
367.21167	1.6
391.21127	9.1
399.10684	0.9
400.10965	1.4
421.22421	3.8
439.21130	2.8
457.22217	34.6
475.23233	28.3
493.23660	3.0
511.29248	0.8
598.29797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.5
55.01871	8.4
55.05271	2.2
55.05517	34.1
56.39914	1.4
57.03440	17.4
57.07076	3.8
58.71233	1.2
59.05015	1.8
63.75559	1.3
65.03940	4.5
66.96770	1.5
67.05509	95.2
69.03426	19.7
69.06725	2.2
69.07076	26.2
69.74749	5.1
69.75181	5.3
71.01343	1.5
71.05003	14.2
73.02929	2.0
77.03917	2.6
79.05499	70.0
81.03424	100.0
81.07063	86.9
82.00861	1.8
82.07381	1.4
83.04990	32.2
83.08627	27.4
85.02908	20.5
85.06529	4.1
87.02471	1.6
87.04478	1.7
91.05486	56.3
93.07052	77.0
95.04977	32.3
95.08614	58.7
97.02895	19.3
97.06539	9.2
97.10192	10.2
98.20877	1.6
99.04458	5.7
99.08060	2.6
103.05470	1.9
105.07043	42.7
107.04961	10.2
107.08598	41.7
109.02913	11.8
109.06536	8.5
109.10165	29.8
111.04449	16.2
111.08092	14.9
113.05976	2.3
115.05451	3.2
117.07038	14.8
119.04993	2.0
119.08592	41.8
121.06523	5.7
121.10148	36.8
121.11020	1.7
123.04457	5.7
123.08083	3.6
123.11730	10.4
125.09636	4.5
127.03939	9.0
128.06236	2.0
129.05513	9.7
129.06993	14.3
131.04933	1.8
131.08578	29.1
133.06491	6.0
133.10141	29.2
135.04446	2.0
135.08101	3.3
135.11691	22.3
137.09621	4.3
137.13229	2.6
141.07025	3.4
142.07840	3.3
143.08583	6.4
145.06477	5.0
145.10121	14.2
147.08043	6.7
147.10628	2.5
147.11700	26.2
149.06012	3.0
149.09619	10.0
149.13298	8.5
151.11189	2.7
153.12706	3.8
155.08557	3.9
157.06506	4.2
157.10139	19.0
159.04419	2.3
159.08052	3.0
159.11661	9.6
161.02350	2.1
161.06003	3.2
161.09689	1.9
161.13249	8.8
163.03906	11.7
163.11179	6.7
163.14876	2.6
165.05478	2.7
165.12746	5.0
167.08624	2.3
169.10114	3.4
171.08061	1.8
171.11693	4.6
173.02342	4.9
173.05974	3.5
173.09663	2.1
173.13278	9.9
175.11203	15.0
175.14799	3.7
181.10138	2.5
181.12270	6.2
183.08107	3.3
183.11703	2.8
185.05977	2.6
185.09671	1.9
185.13303	2.1
187.03925	7.7
187.11182	1.6
187.14816	4.3
191.10692	5.3
191.14325	1.9
193.12250	48.5
195.08109	2.4
195.13730	1.6
197.09703	2.4
197.13286	2.2
199.03940	4.1
199.07576	1.6
199.14696	1.8
201.05411	3.5
201.16457	1.6
208.61896	1.5
209.11687	3.4
211.07481	1.6
211.13304	61.3
213.05464	5.0
223.14844	1.5
227.12721	9.8
229.14352	4.4
243.21030	3.7
249.14977	2.7
259.20685	3.7
261.22168	13.4
267.13727	3.6
267.16125	10.4
277.21603	3.3
279.95282	1.5
283.15732	7.2
285.17026	20.5
289.21649	1.9
301.21759	1.9
311.12732	5.8
311.16223	3.0
311.19897	1.4
317.24716	3.1
323.23938	2.3
335.25833	63.6
336.26151	3.2
337.27344	5.9
341.24576	1.8
351.23138	4.1
355.15143	13.8
357.16962	2.6
369.24100	7.9
373.16434	2.5
387.25345	5.5
405.26672	2.0
427.19693	2.9
429.20520	16.7
443.27896	2.8
447.20523	1.9
461.28799	1.8
479.29700	2.3
486.33231	1.6
527.37244	11.5
545.38416	54.8
546.38538	3.4
563.39825	2.2
595.46844	3.0
597.36084	1.7
611.38892	1.9
615.37115	4.2
617.38025	2.1
623.39508	2.8
633.37732	6.6
653.39844	5.5
661.40710	2.3
671.41284	7.0
679.42126	9.8
689.41864	42.8
690.41077	4.4
707.41925	41.7
708.41260	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	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07143	1.6
53.03936	7.6
55.01881	7.2
55.05262	2.6
55.05512	34.3
56.01379	1.6
57.03441	16.4
57.07048	2.3
65.03946	4.8
67.05504	86.1
69.03432	22.5
69.07068	22.9
70.17487	2.9
70.17906	4.9
71.04993	10.2
73.02912	2.8
79.05495	65.8
81.03416	100.0
81.07059	88.1
83.04980	33.3
83.08620	28.7
85.02905	19.0
85.06538	3.5
87.77293	1.9
89.03916	2.3
91.05481	62.1
92.05807	1.7
93.07044	70.9
95.04974	31.6
95.08604	54.9
97.02901	20.4
97.06506	9.2
97.10161	10.0
98.21593	1.7
99.04477	3.6
99.08073	3.3
103.03956	1.7
105.07031	43.7
107.04961	10.7
107.05595	1.7
107.08599	38.7
109.02895	11.6
109.06483	7.3
109.10156	22.5
111.04439	16.6
111.08073	13.1
113.05960	1.7
115.05447	3.4
117.07027	12.2
119.08582	45.7
121.06512	6.0
121.10151	34.8
123.04398	2.6
123.08085	4.6
123.11713	9.4
125.09607	3.9
127.03931	8.0
128.06200	2.9
129.05521	12.2
129.06999	17.6
131.04935	1.9
131.08560	28.5
133.06505	6.3
133.10132	26.1
134.10422	1.5
135.04440	4.6
135.08037	3.8
135.11690	17.6
137.09637	2.9
137.13274	1.9
139.11174	1.7
141.06990	2.5
142.07765	3.8
143.08551	7.8
145.02856	2.6
145.05029	1.9
145.06453	3.8
145.10124	13.4
147.08038	4.5
147.11685	24.9
149.06038	1.8
149.09605	9.9
149.13243	8.8
149.34457	1.4
151.11270	2.1
153.12752	3.8
155.08556	3.7
157.10132	16.3
159.11676	10.4
161.02332	2.3
161.05984	1.9
161.09673	1.9
161.13300	6.8
163.03902	20.3
163.11212	7.2
163.14842	3.2
165.05579	1.8
165.07031	2.3
165.12773	6.3
169.10172	4.4
171.11716	7.0
173.02357	5.6
173.04530	1.5
173.06023	2.1
173.09666	4.2
173.13257	8.8
174.65024	1.7
175.11169	13.8
175.14857	2.6
176.11880	1.6
181.10106	2.8
181.12230	5.3
183.08092	1.6
183.11668	3.6
184.07359	1.7
185.05894	2.6
185.09576	2.1
185.13293	2.2
187.03932	4.0
187.14861	2.5
189.12779	1.8
191.10667	6.8
193.12250	47.2
195.11702	2.8
199.03883	2.3
199.07491	2.2
199.14784	1.8
199.27849	1.5
209.11623	2.4
211.07556	2.9
211.13289	70.0
213.05495	6.3
215.14287	1.5
225.05478	2.2
227.12711	12.1
229.14326	5.3
243.21034	3.2
250.89590	1.4
259.20642	5.2
261.22098	13.2
267.13583	2.0
267.15976	13.0
277.21658	3.2
278.07364	1.6
283.15570	4.3
285.16959	21.0
289.21680	1.8
311.12747	1.6
311.16232	1.7
317.24780	4.0
327.22903	1.7
333.24442	3.1
335.25800	60.6
336.26190	4.3
337.14001	7.2
337.27350	9.2
351.23184	3.5
353.16034	1.9
355.15549	5.1
357.16953	2.5
369.24277	6.8
387.25369	5.3
405.26520	3.9
411.19653	2.0
429.20609	15.5
443.28137	2.6
453.33630	2.1
461.29083	2.9
479.29736	4.1
527.37146	13.9
528.38165	2.7
535.36072	2.3
543.36505	1.9
545.38379	63.2
546.38641	5.6
563.39557	1.7
593.37903	1.9
615.36798	4.6
653.40601	4.1
661.41144	3.7
671.40778	9.5
679.42139	4.4
689.42133	38.3
690.41895	4.7
707.41852	30.8
708.42010	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	707.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.9
53.03943	6.1
55.01873	10.4
55.05516	30.8
57.03444	15.7
57.07074	6.1
57.76067	1.7
61.02908	1.8
65.03950	7.5
67.05509	98.0
67.05873	4.8
69.03431	18.5
69.07069	27.3
69.27681	21.9
71.05003	12.0
73.02920	2.9
77.03928	2.2
79.05496	66.4
81.03419	97.5
81.07060	100.0
82.07390	2.3
83.04986	33.6
83.08622	27.6
85.02915	21.9
85.06535	5.0
87.04473	17.0
88.04800	4.0
89.03897	1.8
89.06031	1.9
91.05485	66.3
93.07048	72.4
95.04968	39.5
95.08605	54.1
95.11982	1.7
97.02897	17.2
97.06532	12.4
97.10176	10.2
98.20785	3.4
99.04440	3.4
99.08109	5.2
105.04513	2.1
105.07034	56.8
107.04964	14.5
107.08596	43.4
109.02897	10.7
109.06514	9.4
109.10163	25.5
109.42339	1.7
109.57566	1.6
111.04452	14.1
111.08106	14.8
113.05997	1.7
113.09669	1.9
115.05474	3.6
117.07034	17.1
119.04941	3.3
119.08591	37.5
121.06522	5.6
121.10152	39.1
121.11024	2.3
123.04430	7.5
123.08102	4.9
123.11721	12.9
125.09648	4.3
127.03917	7.6
128.06212	3.1
129.05460	6.6
129.07021	18.0
131.04950	2.7
131.08569	31.4
133.06476	3.9
133.10136	37.1
135.04401	8.7
135.08087	2.9
135.11697	19.9
137.06003	2.0
137.09644	4.9
137.13229	2.9
137.46306	1.7
139.11121	2.1
141.06998	4.1
142.07784	3.6
143.08577	8.4
145.02821	5.0
145.06496	4.1
145.10132	21.8
147.08037	7.7
147.11678	32.8
149.09674	11.9
149.13226	10.9
151.11163	2.8
153.12759	6.1
155.08583	6.9
157.06461	1.9
157.10118	20.3
159.04468	2.3
159.08028	2.7
159.11693	12.6
161.02393	3.2
161.05992	2.2
161.09663	2.4
161.13300	8.8
163.03915	23.3
163.11192	10.0
163.14867	4.5
165.12807	6.0
169.10126	5.3
170.51782	1.7
171.11710	6.8
173.02382	7.2
173.05988	4.0
173.09663	4.2
173.13254	10.8
175.03908	2.3
175.07591	3.2
175.11217	13.4
175.14865	4.3
176.11960	4.1
177.12772	3.4
179.08530	2.3
181.12267	7.0
183.08072	2.7
183.11711	5.6
184.07295	2.6
185.09601	2.2
185.13271	6.0
187.03928	6.2
187.11241	2.7
187.14853	5.9
189.11186	2.8
191.10692	5.9
193.12241	44.5
195.11707	3.0
197.09648	2.2
197.13364	2.4
199.03979	4.5
199.11127	2.1
199.14815	3.1
201.05446	2.4
201.16492	2.4
207.11702	2.5
209.09674	1.8
209.11670	3.1
211.07587	2.3
211.13275	56.0
213.05501	8.2
213.13040	2.1
213.14798	2.4
213.16545	2.4
214.43495	2.0
225.05534	4.9
225.09067	2.3
227.10898	2.7
227.12753	13.0
229.14410	6.3
239.07021	3.2
243.21021	4.5
259.20554	5.3
261.22083	14.9
267.13419	3.3
267.15955	28.2
267.20834	2.0
277.21686	5.1
283.15494	6.8
285.16983	24.3
289.21478	2.1
301.16537	2.3
301.21710	2.9
309.22104	2.1
317.24582	4.1
335.25797	33.2
337.14328	11.7
337.27380	7.4
345.23978	2.4
351.23090	4.1
353.16046	2.9
355.15237	3.6
369.24411	10.2
387.25705	4.1
405.26288	3.5
427.19556	2.6
429.19510	18.9
433.19107	2.4
443.27771	2.8
461.28925	5.9
471.35046	2.2
479.29779	3.7
527.37323	21.0
533.57166	2.3
535.35864	2.7
545.38324	47.3
563.38965	3.8
597.36060	3.3
615.37207	3.3
633.36786	2.8
635.39771	3.5
653.40466	11.0
661.40704	5.9
671.40845	13.1
679.41949	2.5
689.41797	40.0
690.41589	3.2
707.41675	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35278	0.8
51.02380	1.1
51.68290	0.8
53.03933	3.8
55.01870	6.0
55.05510	22.6
57.03439	5.4
57.07059	2.8
59.04990	0.8
63.51008	0.7
63.70331	0.8
65.03919	4.2
67.05504	60.6
68.05830	1.2
69.03429	3.1
69.07064	15.2
69.83636	5.3
71.04984	3.1
71.08627	1.0
73.53055	0.7
77.03928	1.4
79.05491	61.9
81.03413	45.2
81.07054	60.9
81.41126	0.8
82.07388	1.7
83.04979	7.4
83.08615	14.0
85.02892	1.8
85.06522	2.8
89.03901	2.2
91.05478	50.8
93.07042	68.3
95.04968	17.9
95.08606	38.8
97.02883	2.1
97.06524	7.1
97.10174	6.9
99.08082	1.5
103.05475	4.7
105.04539	1.6
105.07030	43.0
107.04942	6.0
107.08593	30.2
108.08923	1.4
109.02854	1.0
109.06527	5.3
109.10152	20.2
110.10460	1.0
111.04461	2.0
111.08077	4.4
115.05458	3.7
117.03395	2.9
117.07007	10.6
119.04963	1.7
119.08577	27.5
121.06510	3.1
121.10141	32.3
122.10896	0.9
123.04435	8.1
123.08038	4.7
123.11675	6.9
125.09644	1.5
128.06219	2.6
129.07010	12.1
131.04955	4.6
131.08563	20.1
133.02864	2.1
133.06502	3.0
133.10132	20.6
135.04407	5.4
135.08112	2.1
135.11684	14.7
137.06004	1.4
137.09641	2.5
137.13213	1.1
141.06960	3.0
142.07794	2.9
143.04909	2.1
143.08557	4.8
145.02853	2.8
145.06500	4.9
145.10123	11.3
147.04422	5.5
147.08043	2.8
147.11693	17.0
149.05954	5.4
149.09616	11.5
149.13269	7.0
151.11169	3.1
153.07042	1.9
155.08588	1.9
157.06474	4.7
157.10153	7.8
158.10551	1.1
159.04416	15.0
159.08060	1.8
159.11687	7.3
161.02332	7.4
161.05974	6.4
161.09628	1.5
161.13251	6.3
163.03900	38.7
163.07581	1.5
163.11118	1.2
163.14874	2.7
164.04248	1.3
165.05493	5.5
165.07002	2.9
165.12761	4.6
167.04947	1.1
167.08546	1.9
169.06491	2.2
169.10129	1.6
171.04428	2.3
171.08072	2.9
171.11736	2.9
173.02356	18.3
173.05957	10.6
173.09645	1.0
173.13292	4.8
175.03978	3.9
175.07564	3.3
175.11182	6.2
175.14824	2.1
177.05444	1.9
177.12700	1.5
179.08588	1.8
180.09372	0.9
181.06438	4.8
181.10150	1.0
183.08072	3.7
183.11711	1.2
185.05951	6.7
185.09634	1.5
185.13300	2.8
187.03915	22.7
187.07573	5.0
187.14862	2.8
189.05510	4.7
189.16426	1.2
190.05301	0.9
191.03397	1.1
191.08551	1.2
193.06506	1.6
193.10515	1.5
193.12253	10.7
195.08058	3.8
195.13835	2.6
197.05992	3.2
197.09674	3.9
197.13289	1.3
199.03915	9.3
199.07513	5.0
199.11325	1.2
201.05473	9.5
201.09035	1.3
201.16408	1.8
203.03328	2.0
205.04962	1.4
207.08112	2.5
209.09650	2.4
211.07516	4.9
211.11353	1.9
211.13326	8.2
212.08119	0.9
213.05469	17.7
213.09181	3.5
215.03436	1.5
215.07124	3.2
215.10756	1.3
217.04970	1.4
221.09544	2.7
221.13237	1.2
223.07565	1.3
223.11111	2.0
225.05496	2.1
225.09177	3.7
225.12619	1.2
227.07056	3.3
227.10715	1.9
229.04996	2.0
231.06645	0.9
233.09671	1.1
233.15445	0.9
235.11203	1.9
237.09171	2.8
237.12738	2.0
238.09964	1.0
239.07086	2.7
239.10750	2.0
239.14410	1.6
241.08615	1.5
241.12212	1.5
241.19566	2.7
243.13861	1.1
243.21075	2.3
247.07671	1.2
247.11223	1.6
249.09187	1.4
249.12611	2.6
251.10797	2.1
253.12167	1.4
257.19153	1.1
259.20624	7.0
261.22125	9.1
265.12347	3.3
267.13751	17.2
267.16025	1.4
269.11865	0.9
275.10675	0.9
275.14011	0.9
277.21756	5.1
279.23026	1.1
283.13232	4.8
285.14880	2.4
293.11737	4.1
309.15051	2.3
311.12799	11.7
311.16489	5.6
313.14517	1.2
315.23169	1.5
317.24875	3.5
327.15894	4.3
329.13916	2.2
329.17593	1.9
331.23187	1.0
333.16949	2.4
333.24283	3.9
335.25784	15.8
336.26242	1.5
337.14258	7.3
337.17795	1.2
345.18506	0.9
355.15396	41.5
356.15738	1.8
357.16907	9.6
361.23996	1.8
373.16409	5.8
375.18332	1.1
375.23352	1.0
410.26987	1.0
429.13287	2.2
429.19101	43.5
430.19281	2.2
431.20386	5.4
447.20340	1.9
465.26108	1.0
535.36450	1.2
543.35339	1.3
553.33478	1.1
571.34558	1.5
579.35352	1.3
587.37616	3.0
595.47400	1.2
597.35492	5.5
605.38562	2.7
615.36652	14.9
623.39264	3.6
633.37726	16.9
651.38776	2.4
661.41144	5.4
665.40570	1.3
671.39777	3.4
679.42096	27.3
680.42291	2.0
689.40515	47.0
690.41034	3.7
707.41498	100.0
708.41803	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	707.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
53.34724	1.2
55.05517	2.5
57.03431	1.0
57.07088	1.5
58.33399	1.0
66.66016	1.1
67.05515	4.2
69.07072	2.2
69.39373	6.0
69.39795	4.4
79.05495	5.2
81.03435	4.6
81.07069	4.8
83.05038	1.4
83.35033	1.1
87.50033	1.2
91.05499	3.6
93.07056	5.1
95.04942	1.3
95.08614	5.9
97.10172	2.0
105.07036	2.4
107.08611	2.6
109.10201	1.4
117.07017	1.8
119.08585	2.4
121.10185	2.6
131.08548	1.5
133.10110	2.1
135.11705	1.2
157.10130	1.3
159.11737	1.3
163.03972	1.3
184.07451	3.0
184.96045	1.2
216.76991	1.2
355.15323	1.9
429.19559	1.8
535.36389	2.9
573.07269	1.3
595.46869	2.0
679.42719	1.5
689.40637	2.9
707.37665	100.0
708.37646	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	707.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.7
53.03947	5.8
55.01870	6.2
55.05517	4.2
55.12774	1.0
57.03431	3.6
65.03922	1.9
67.01888	1.2
67.05511	9.8
68.99783	7.5
69.03439	12.7
69.07062	5.1
70.59454	1.8
70.59838	2.2
71.04999	11.9
73.02892	1.5
79.05499	10.3
81.03420	29.9
81.07059	14.8
83.04997	6.3
83.08621	3.6
85.02920	8.5
91.05471	16.7
92.05848	1.3
93.07052	21.2
95.04961	7.9
95.08604	17.2
97.02897	23.8
97.06527	6.2
99.04463	4.5
99.44697	1.2
102.15752	1.2
103.05502	3.2
105.03381	2.8
105.07040	29.5
107.04965	7.2
107.08599	27.4
107.09293	2.2
109.02885	100.0
109.06522	12.0
109.10168	8.8
111.00784	1.5
111.04448	12.1
111.08104	8.2
113.06037	3.9
115.05440	2.4
117.07056	5.6
119.04959	4.3
119.08582	47.2
121.02885	1.6
121.06502	10.2
121.10139	15.4
123.04452	13.6
123.08073	16.3
123.11718	3.7
124.08774	1.6
125.06003	1.5
125.09632	63.0
127.03918	76.8
128.04279	3.5
128.06241	3.4
128.99748	1.1
129.04462	1.2
129.07022	4.6
131.04871	1.4
131.08572	6.5
133.06483	7.4
133.10143	35.6
135.08060	5.0
135.11696	8.1
137.05986	7.5
137.09628	5.9
139.03940	4.7
139.07545	1.6
143.08586	8.5
145.04948	5.1
145.06485	2.7
145.10121	6.5
147.04413	30.5
147.08040	25.8
147.11678	3.4
149.02277	1.5
149.05975	3.1
149.09714	2.9
151.03879	9.5
151.07544	17.0
151.11209	4.8
153.01801	1.9
153.07104	1.3
153.09064	1.7
155.03403	1.7
155.07140	1.5
155.08554	2.1
157.06509	2.3
157.10139	4.6
159.08084	2.4
159.11707	4.3
161.06009	10.6
161.09634	23.8
161.13286	1.6
163.03888	8.8
163.07581	3.6
163.11234	6.2
165.05492	11.2
165.09117	27.0
166.09430	1.5
167.08679	1.4
169.04958	4.6
169.10143	2.9
171.04417	1.4
171.08087	3.6
171.11714	2.8
173.06068	2.0
173.08096	2.8
173.09567	2.5
173.13301	3.1
175.03903	2.5
175.07523	11.3
175.11229	3.4
177.05528	3.9
177.09154	1.4
177.12766	1.9
179.07091	7.1
179.10680	17.2
181.04919	1.2
183.11678	2.4
185.09610	2.4
185.13263	3.2
187.11172	3.6
189.05472	25.6
189.07124	2.0
189.07472	2.0
189.09093	17.9
191.03362	1.7
191.07178	1.3
191.10680	2.0
193.04980	24.2
193.08762	1.5
196.68970	1.1
197.08098	27.0
197.09645	2.8
197.13261	1.9
199.11230	2.5
201.09161	2.4
203.07034	14.8
203.10773	1.3
207.10150	22.8
209.11693	2.7
215.07074	3.2
215.10681	10.3
217.04967	69.5
217.08513	3.5
218.05397	2.4
221.08072	20.2
225.11206	51.1
225.16231	1.7
229.12154	2.1
233.11736	2.8
235.06023	38.3
235.09592	2.4
236.06227	1.4
239.09123	31.1
239.11354	2.0
241.08673	2.6
245.04515	1.6
245.08124	2.4
249.11238	3.6
249.16528	2.3
253.15958	1.8
259.09662	10.6
261.41525	1.4
263.09164	23.5
264.09515	1.3
267.12219	13.5
267.17343	2.3
269.08096	3.0
271.16946	3.6
283.15491	4.5
284.15759	4.8
285.18408	4.6
287.05576	3.4
287.09171	15.0
289.17865	2.8
295.16959	4.3
304.89188	1.4
305.10260	13.0
313.17953	10.3
331.19052	21.9
331.22696	2.0
333.13226	3.9
349.20032	13.7
351.14420	5.7
373.20078	5.4
391.21127	10.9
409.21317	2.4
421.14120	1.2
421.20636	1.1
439.21194	3.2
451.23434	1.2
455.25244	1.2
457.22238	15.9
475.23352	9.0
478.29050	2.4
492.26776	3.8
565.24188	5.0
707.25446	1.5
727.96777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94851	0.4
57.03408	0.4
58.33593	0.4
69.03413	0.7
70.43085	0.3
71.60004	0.5
71.60411	0.4
73.60519	0.3
78.49427	0.3
82.99828	0.7
85.02905	1.9
97.02854	1.4
98.97560	0.4
101.00855	1.5
101.66905	0.4
109.02828	0.7
118.08616	0.4
119.01923	9.8
122.01400	0.7
127.03918	0.9
131.01915	4.7
131.51938	0.5
137.01845	1.5
137.02936	2.0
139.02388	0.5
142.03467	0.9
143.01891	11.4
145.02402	0.6
145.03464	7.1
145.04720	0.5
147.01373	1.0
147.04387	0.7
149.02905	0.6
152.02451	0.6
155.01883	6.0
156.04172	1.4
157.03532	2.8
161.02962	18.4
163.04561	1.8
164.02345	0.5
167.01860	4.2
169.03445	1.9
171.04991	2.3
173.02972	17.5
173.52988	0.6
174.03024	0.4
175.04482	1.4
177.00719	0.4
177.02419	0.5
179.01927	2.0
181.03413	0.4
182.03419	1.1
184.04553	1.1
185.02965	33.7
186.03075	0.4
187.04526	3.9
191.03952	0.7
193.03493	0.6
194.03590	0.5
196.04446	0.6
197.01215	0.8
197.02965	12.4
199.04483	0.6
203.04008	12.2
203.54085	0.6
208.04584	0.9
209.02898	1.1
212.04527	0.7
215.04004	9.9
219.01776	0.4
221.04996	1.2
224.04411	0.5
227.04015	8.7
233.05058	0.9
239.03941	0.8
245.05077	100.0
246.05258	1.6
254.05785	0.5
257.05038	4.9
263.06155	15.1
265.20648	0.4
269.04996	0.4
274.06021	0.5
275.06131	11.3
283.06757	1.1
283.56796	0.5
284.06610	2.4
284.56705	0.8
286.07809	1.4
291.04068	0.5
293.07144	4.9
305.07187	12.8
316.08801	0.5
329.07254	0.4
335.08337	3.7
347.08292	1.3
360.41248	0.4
362.09650	0.5
364.09375	1.5
364.59427	1.7
365.09332	41.4
365.59503	1.3
366.09631	0.8
383.10507	4.3
401.11545	0.6
406.11844	1.0
425.11417	47.8
426.11655	0.8
437.11533	2.4
455.12598	3.9
485.13434	1.8
527.12463	1.4
545.13458	1.6
695.08063	0.4
707.18719	18.5
708.19727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.1
55.05499	0.2
56.05008	0.4
57.03426	0.2
57.07062	0.3
58.06606	0.3
59.07394	0.2
60.08165	5.8
61.01033	0.1
67.05493	0.7
69.03406	0.2
71.04968	0.1
71.07371	3.1
71.60423	0.2
79.05481	0.3
81.03419	0.5
81.07065	0.8
83.04984	0.2
83.08619	0.2
83.23215	0.1
86.09706	29.5
87.04456	0.4
91.05472	0.5
93.07040	0.5
95.04952	0.3
95.08595	0.4
97.06529	0.1
98.98461	2.4
104.10744	2.3
105.07016	0.2
107.04980	0.1
107.08578	0.3
107.22768	0.1
109.06481	0.2
109.10188	0.2
114.29326	0.1
119.08565	0.3
121.10133	0.3
125.00005	18.8
129.06996	0.1
131.08525	0.1
133.10178	0.2
133.22881	0.1
143.01038	0.4
147.11763	0.1
149.13214	0.1
157.10176	0.1
159.11731	0.1
159.33601	0.1
166.02698	0.3
170.69583	0.1
184.07339	100.0
185.07689	0.6
193.12263	0.2
211.13251	0.1
273.42233	0.1
273.88547	0.1
335.25848	0.3
396.25558	0.1
496.34021	0.2
535.36542	0.1
544.36255	0.4
706.47076	9.0
707.36969	0.2
707.48108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01621	1.4
55.01873	16.3
55.05509	28.9
57.03190	1.3
57.03443	18.6
57.07053	2.8
59.04992	3.6
61.02924	7.2
65.03944	1.8
67.05502	28.1
69.03432	5.2
69.07074	8.4
71.01357	2.0
71.04982	4.7
71.59861	1.1
71.60219	1.1
73.02923	5.8
78.19968	0.9
79.05494	30.8
81.02979	1.7
81.03421	22.8
81.06585	1.8
81.07058	27.0
82.04192	3.2
83.01348	8.3
83.04980	23.5
83.08620	18.9
85.02901	12.9
85.06545	2.2
87.04458	1.2
90.74380	1.0
91.03948	4.2
91.05482	23.0
93.06474	2.3
93.07043	34.0
95.04976	15.5
95.08602	13.7
97.02894	13.0
97.06535	11.2
97.10175	12.2
98.07316	3.3
99.04465	2.7
99.08086	1.5
103.05459	1.5
105.07024	15.9
107.04967	13.5
107.08588	18.7
109.02861	1.6
109.06508	10.3
109.10161	14.5
111.04452	5.6
111.08105	6.6
113.05988	1.5
116.04720	6.6
117.07016	10.0
119.08590	14.0
121.06544	5.4
121.10149	13.0
123.04497	1.5
123.08072	13.8
123.11710	1.8
125.06000	1.8
125.09632	13.3
127.03919	4.2
127.11175	1.4
129.05478	18.0
129.06998	3.9
130.07784	1.8
131.08585	7.9
133.06488	1.9
133.10106	6.8
135.04422	1.3
135.08061	4.3
135.11697	18.4
137.09615	2.9
143.07042	4.6
143.08540	1.9
145.04970	1.3
145.06398	1.5
145.10124	20.2
147.08044	3.3
147.11679	3.8
149.09601	4.0
151.11266	1.3
153.09167	1.3
153.12758	7.5
155.08627	3.1
157.08601	8.5
157.09976	1.8
161.09669	1.8
162.10233	1.2
163.03903	1.7
163.11182	33.8
171.06473	1.3
171.10106	1.7
173.09590	6.2
173.11778	2.7
175.11078	2.3
175.36459	1.2
181.12241	6.8
184.07301	2.8
187.14856	1.7
189.11212	4.8
191.10632	6.2
193.12221	4.2
199.13338	6.6
200.13991	2.0
203.75362	1.1
209.11737	16.8
210.12450	2.0
211.13373	1.3
227.12770	18.1
229.14371	4.1
255.15852	1.3
265.14423	3.6
267.16049	7.5
275.11966	1.1
283.15402	100.0
284.15906	3.3
301.16464	57.3
337.16443	3.2
405.30099	1.5
425.25250	2.0
437.25375	11.3
473.28973	2.2
475.26483	6.7
491.26309	11.2
492.27554	5.1
493.27686	1.5
509.27484	77.2
510.27866	4.4
527.28662	5.7
599.67426	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01870	3.3
55.05504	5.9
57.03439	2.4
59.04994	1.6
61.76483	1.2
63.49266	1.4
67.05504	9.7
68.00337	1.4
68.99809	2.3
69.03435	11.4
69.07062	4.3
70.06571	1.3
71.04994	6.9
71.59769	1.3
71.60155	1.7
73.02912	2.5
79.05486	8.8
81.03418	13.4
81.07048	13.7
83.04974	4.0
83.08608	4.3
85.02902	5.6
91.05476	13.2
92.60903	1.3
93.07053	16.9
94.02110	1.3
95.04973	7.0
95.08600	20.3
97.02889	64.0
97.06538	4.0
99.04451	5.6
100.85904	1.3
103.05435	2.0
105.07039	20.8
107.04951	2.2
107.08587	22.9
109.02874	30.5
109.06519	7.5
109.10167	9.9
111.04442	3.0
111.08108	6.8
113.05982	6.8
115.05444	2.2
117.07050	3.8
119.08577	40.5
121.06499	5.2
121.10140	15.6
123.04420	13.0
123.08068	16.8
123.11751	2.1
124.08858	2.0
125.05968	1.7
125.09627	74.9
127.03918	47.9
127.98015	1.6
128.06291	1.3
129.06987	2.7
131.08568	6.2
133.06487	5.0
133.10133	38.1
135.08031	4.4
135.11656	7.0
137.05975	3.6
137.09618	5.6
139.03914	5.5
143.08557	6.7
145.04939	3.4
145.10133	11.5
147.04343	6.6
147.08049	22.5
147.11717	3.1
149.06006	1.8
149.09584	4.6
151.03868	1.8
151.07561	6.8
151.11183	5.3
153.05426	2.0
155.03401	4.2
155.08507	2.1
157.10112	5.3
159.08107	1.3
159.11707	5.5
161.05956	6.6
161.09608	25.8
161.13220	3.1
163.03922	5.8
163.11188	10.8
165.05399	1.7
165.09123	23.9
165.36555	1.4
169.10167	2.3
171.07996	1.9
171.11676	6.3
173.09648	4.2
173.13353	3.9
175.07503	2.3
175.11151	3.1
177.05518	3.0
177.09161	2.6
179.07072	15.2
179.10672	20.4
181.12404	1.6
183.11722	2.0
184.07379	3.1
185.13216	3.3
187.11197	1.7
189.05481	5.3
189.09096	19.5
189.12743	1.9
191.10703	8.3
193.04980	4.9
195.11710	2.5
197.08081	61.2
197.13245	2.4
201.12769	2.1
201.16330	1.8
203.10649	3.6
207.10185	27.0
211.11143	2.6
211.14777	2.1
215.10753	3.1
217.04970	27.7
221.08047	2.5
222.16901	1.5
225.11197	49.8
225.16289	2.7
235.05980	21.2
239.09167	3.9
249.11270	1.7
249.16331	1.8
251.17963	2.4
253.15955	1.7
263.09235	4.8
267.12286	5.4
267.17416	7.7
269.19037	3.0
271.16867	4.3
277.16055	2.0
283.15390	3.1
285.18521	7.0
287.09106	5.5
293.63428	1.4
295.16968	10.3
303.19531	3.6
305.10199	9.7
313.17981	20.2
331.19040	21.1
332.62668	1.5
333.13272	1.8
349.20071	40.3
351.14386	7.6
367.21082	1.8
391.21176	20.2
421.22266	6.6
429.98895	1.6
437.25314	2.2
439.20908	2.5
451.23190	4.1
457.22311	16.7
459.27448	1.6
475.23273	100.0
476.23401	3.1
493.24301	49.6
514.17114	1.8
527.28101	1.8
545.27234	2.2
563.28253	6.0
565.24359	6.4
583.25452	10.1
601.25964	3.3
632.24036	2.7
635.28815	1.8
671.30469	4.8
706.27911	26.1
707.27356	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	706.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01867	1.5
55.05516	4.5
56.60454	0.5
57.03434	3.2
57.07057	0.5
59.04996	0.8
61.02929	1.1
65.03934	0.9
67.05516	8.7
68.99792	1.1
69.03432	5.4
69.07071	3.7
71.04987	2.3
71.35239	0.8
71.35562	0.7
73.02905	1.4
73.06541	0.7
74.91487	0.6
79.05500	7.4
81.03423	16.3
81.07066	9.4
83.01340	1.1
83.04990	4.5
83.08621	3.2
85.02909	5.5
85.06516	1.2
86.09708	0.8
87.04464	0.7
89.82790	0.5
91.04954	1.0
91.05486	11.0
93.07056	9.5
95.04977	5.4
95.08617	9.2
97.02898	21.7
97.06535	4.2
97.10178	1.3
98.20808	0.6
99.04465	1.6
99.08104	1.7
103.05502	0.8
105.07038	10.4
105.07669	0.5
107.05003	3.0
107.08595	8.3
109.02887	8.0
109.06526	4.2
109.10159	5.8
110.07365	0.6
111.04441	1.6
111.08079	2.4
113.05988	2.3
115.05450	0.8
117.07012	2.4
119.04984	0.7
119.08595	11.2
121.06509	2.0
121.10144	5.4
123.04449	6.4
123.08088	2.8
123.08846	0.6
123.11719	1.3
125.05969	1.1
125.09645	2.0
127.03922	18.1
127.07554	0.7
128.06236	0.6
129.07021	3.2
131.04948	0.7
131.08583	7.2
133.06508	2.7
133.10143	9.1
135.08080	2.4
135.11729	3.1
137.06010	2.2
137.09616	2.4
139.03923	2.4
139.07581	0.5
141.06958	1.2
142.07776	2.5
143.08572	4.4
144.09332	0.7
145.04984	1.1
145.06474	0.7
145.10117	7.9
147.04434	1.7
147.08051	2.4
147.11685	4.7
149.02348	1.1
149.05991	1.5
149.09637	3.7
149.13281	0.8
151.03946	2.0
151.07584	3.7
151.11192	1.5
155.03404	1.8
155.08553	1.7
156.09392	1.5
157.10139	8.9
159.08067	1.4
159.11700	4.6
161.05981	3.3
161.09634	3.9
161.13289	1.0
163.03915	1.8
163.07565	2.1
163.11198	3.6
165.05533	1.0
165.09129	1.3
167.07098	1.3
169.04951	0.6
169.10158	3.6
171.08099	1.3
171.11694	6.4
173.06020	0.6
173.09622	2.9
173.13255	2.3
175.04085	0.8
175.07562	2.9
175.11147	4.7
177.05603	0.8
177.09129	2.0
177.12743	0.9
179.07076	5.9
179.10722	1.2
181.10083	0.7
182.11006	0.7
183.08034	0.6
183.11668	2.9
185.09665	2.6
185.13255	2.5
187.07556	1.3
187.11188	3.6
187.14886	1.1
189.05524	2.4
189.09152	4.5
189.12778	1.9
191.07036	0.8
191.10669	2.9
193.04999	2.0
193.10640	0.7
193.12245	4.1
195.11749	1.4
197.08102	26.8
197.09454	1.4
197.13272	1.9
199.07622	0.8
199.11209	2.4
199.14876	1.6
201.09143	2.9
201.12787	1.2
203.10669	3.9
205.08585	0.8
205.12312	0.8
207.10194	0.8
208.12451	0.7
209.13248	1.5
211.11270	1.3
211.13101	0.8
211.14954	1.1
213.09024	0.6
213.12776	0.8
215.10706	6.4
217.04990	9.1
217.12253	4.7
219.10181	0.8
221.08046	1.0
221.13374	0.8
223.11188	0.9
223.14882	1.0
225.12891	1.4
225.16388	3.6
227.10672	1.3
227.14375	0.9
227.18010	1.3
229.12341	2.7
229.14316	1.0
231.10201	2.1
233.11760	2.2
234.14003	0.7
235.06044	5.2
239.08954	1.2
239.17964	1.8
241.12097	0.7
241.19646	0.7
243.10211	1.0
243.13873	1.4
245.15414	0.9
249.16394	1.6
251.18114	1.0
253.12273	1.1
253.15950	2.5
255.13876	1.1
257.18945	1.0
263.09174	1.0
267.15714	16.3
269.15485	0.8
269.18939	1.3
271.16858	5.0
277.15836	0.8
283.15353	6.2
285.18503	7.1
287.09296	1.3
287.16669	0.9
289.14526	0.7
289.18054	0.6
295.16989	5.2
301.68430	0.6
305.10239	1.7
313.17993	10.9
331.19089	4.9
349.20105	33.5
350.20358	0.8
391.21201	4.7
433.25824	0.8
447.81171	0.6
451.23102	3.1
457.22437	3.6
459.27496	16.2
475.23346	25.7
477.28638	1.2
491.26495	2.1
493.24365	100.0
494.24860	1.5
509.27597	3.6
527.28442	0.9
563.28693	3.0
565.24438	2.0
576.09460	0.6
583.25476	9.7
584.67725	0.6
596.44464	0.6
596.90741	0.7
601.26593	3.3
619.28064	1.0
635.46954	0.6
653.29651	1.4
671.30609	1.7
689.32220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.01859	2.7
55.05494	2.2
57.03434	2.0
64.15417	0.9
67.05495	4.8
69.03421	7.7
69.07068	2.4
70.06559	1.3
70.86131	1.7
70.86516	1.9
71.04971	3.9
73.02895	1.2
79.05492	5.5
81.03408	17.5
81.07051	8.6
83.04976	2.7
83.08610	2.2
84.08120	1.1
85.02889	3.7
85.06562	0.9
86.09697	2.7
87.04522	1.1
87.23037	0.9
91.05476	10.4
93.07033	12.2
95.04946	4.0
95.08603	9.1
97.02882	18.7
97.06499	1.1
99.04441	4.4
105.07027	15.7
106.07372	1.0
107.04961	1.7
107.08587	14.2
109.02872	100.0
109.06517	7.5
109.10143	6.8
110.03165	1.1
111.04433	3.0
111.08083	5.2
112.07037	1.1
113.06004	2.0
115.03934	1.2
117.07019	2.1
119.04913	1.6
119.08572	30.5
120.08895	1.4
121.06509	5.6
121.10113	9.2
122.10474	1.0
123.04382	1.2
123.08057	11.9
123.11706	2.6
124.08789	1.3
124.99996	2.0
125.09625	60.5
127.03911	70.6
128.04231	1.5
129.06996	1.3
131.05025	1.0
131.08530	2.1
133.06490	5.7
133.07336	0.9
133.10124	29.9
134.10478	2.9
135.08038	1.8
135.10805	1.0
135.11632	4.9
137.05984	2.9
137.09615	3.6
139.07457	1.2
143.08542	4.5
145.02858	1.0
145.04951	7.0
145.06538	1.4
145.10114	4.5
147.04396	6.4
147.08040	17.3
147.11646	1.2
148.08456	1.4
149.06027	2.2
151.03984	1.0
151.07538	1.3
151.11163	3.6
157.10109	2.0
161.05994	4.7
161.09610	20.3
162.09950	1.5
162.26405	0.9
163.03918	2.3
163.11172	5.1
164.53604	1.3
165.09103	21.7
166.09477	1.3
167.07021	2.9
168.61177	1.1
173.09595	1.8
173.13225	2.9
175.11076	1.7
177.05467	1.5
179.10658	21.0
183.11830	1.4
184.07323	7.7
189.05449	2.1
189.09097	18.4
190.09401	2.0
193.04910	1.4
193.08646	6.8
197.13217	1.0
201.12704	1.5
207.10164	26.7
208.10532	2.5
209.11722	1.7
217.04904	2.6
218.05246	1.4
225.11192	45.8
226.11572	5.4
233.11797	1.4
237.11224	1.6
249.11223	1.5
250.11786	1.0
267.12274	7.6
268.12576	2.4
271.17014	1.3
283.15448	6.1
287.05762	1.4
297.13434	1.5
299.14771	1.4
299.20123	1.9
301.16446	1.6
313.18008	1.6
315.12296	2.3
331.19031	11.5
333.13290	6.0
334.13406	1.1
349.20132	17.0
351.14490	9.3
367.21115	2.4
391.21216	10.4
413.16147	2.0
413.66095	6.0
414.16321	1.8
414.66476	1.2
421.21814	3.8
439.21292	2.5
457.22226	40.6
473.21375	2.3
474.21994	2.2
475.23236	33.9
491.26303	2.7
493.24384	4.6
509.27377	5.6
706.35272	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01875	2.4
55.05510	5.3
57.03440	4.1
57.07074	0.8
61.02925	1.1
67.05506	8.5
68.99799	1.4
69.03429	6.6
69.07072	4.7
70.73732	1.5
70.74142	1.2
71.04993	4.1
73.02920	1.7
73.06562	0.7
79.05497	9.7
81.02978	1.2
81.03423	15.3
81.07063	9.6
83.04992	5.4
83.08623	5.1
85.02905	7.0
85.06567	0.7
91.04931	0.5
91.05479	12.0
93.07043	11.9
95.04972	6.8
95.08612	9.9
97.02901	23.7
97.05489	0.8
97.06554	5.4
97.10199	1.1
99.04465	1.6
99.08118	1.8
103.05430	0.7
105.07030	12.8
107.04977	2.9
107.08595	9.6
109.02898	6.3
109.06548	3.4
109.10200	4.4
111.04420	2.2
111.08068	4.0
113.06031	3.6
115.05434	0.9
117.07021	3.4
119.04967	0.8
119.08587	12.7
121.06500	3.0
121.10152	6.8
123.04419	8.0
123.08037	4.3
123.11707	1.8
125.05989	0.7
125.09666	2.2
127.03920	20.9
128.06229	1.1
129.06987	4.8
131.08585	7.9
133.06485	3.4
133.10143	10.6
135.08061	3.1
135.11720	3.0
137.05998	2.2
137.09642	2.4
139.03915	2.7
139.07555	0.8
142.07813	1.8
143.08549	4.6
144.09320	1.1
145.05009	0.9
145.10132	7.9
147.04408	2.9
147.08061	3.3
147.11668	6.3
149.02370	1.6
149.05968	1.7
149.09593	3.6
149.13277	1.0
151.03920	2.3
151.07544	3.4
151.11235	1.3
155.03395	2.5
155.08585	2.2
156.09409	2.7
157.06499	0.9
157.10149	10.8
157.11336	1.2
159.08098	2.4
159.11714	6.5
161.06020	3.3
161.09615	3.4
161.13281	2.0
163.03925	1.5
163.07584	3.2
163.11186	3.9
164.40012	0.6
165.09132	2.5
165.12811	0.9
167.08556	1.1
169.08922	0.7
169.10095	3.7
170.10912	0.8
171.08125	1.1
171.11674	6.9
173.05984	1.0
173.09692	3.1
173.13220	3.5
175.03957	0.7
175.07562	3.8
175.11174	5.2
177.09125	2.6
177.12753	0.7
179.07056	8.5
179.08517	1.2
179.10745	1.0
181.10147	1.9
183.07993	0.9
183.11673	4.7
183.86432	0.8
185.09657	1.8
185.13319	2.4
187.07550	1.4
187.11208	3.7
187.14835	0.7
189.05478	2.8
189.09082	3.5
189.12790	2.3
191.10641	3.6
193.04971	2.2
193.10373	1.2
193.12283	3.6
195.11742	1.4
197.08102	23.8
197.09608	1.6
197.13310	2.6
199.07549	0.6
199.11221	2.2
199.14799	1.5
201.09155	3.9
201.12787	1.1
203.07100	1.4
203.10703	4.5
205.12309	2.1
207.10039	1.0
207.11781	2.0
209.13257	1.8
211.11237	1.6
211.14929	1.2
213.09181	2.0
213.12743	1.3
215.10701	6.4
215.14268	1.4
217.04984	11.0
217.08528	1.0
217.12247	4.3
219.10071	0.7
220.12392	0.6
221.08089	1.2
221.13306	1.1
223.14815	1.0
225.09262	0.7
225.11089	1.1
225.13019	1.2
225.16385	4.1
227.10719	1.3
227.14420	1.3
227.18161	0.7
229.08611	0.8
229.12413	4.0
229.14433	1.8
231.10266	1.7
233.11794	1.5
235.06046	5.9
239.09018	1.0
239.17917	1.6
241.12462	0.7
241.15782	1.2
243.10132	1.1
243.13919	2.5
243.17488	1.2
247.84531	0.7
251.17842	0.8
253.12306	0.7
253.15919	2.6
255.13832	0.9
257.11786	0.8
257.19131	1.2
263.09183	0.7
267.15717	16.2
269.15482	1.4
269.19177	1.3
271.13773	1.2
271.16971	5.6
277.15909	0.9
283.15356	7.7
285.18530	6.4
287.09125	1.1
295.16891	5.8
305.10339	1.5
313.17987	11.1
331.19080	6.2
349.20111	33.1
391.21097	6.2
451.23438	3.3
457.22253	3.1
459.27542	15.4
475.23294	25.9
476.23773	0.8
477.28860	0.9
491.26389	3.0
493.24365	100.0
494.24652	3.5
501.28311	0.9
509.27579	3.1
527.28400	1.8
563.28485	2.7
565.24304	1.6
583.25464	11.3
601.26599	3.8
671.30505	1.7
689.31415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.1
55.01863	9.8
55.05509	28.8
57.03432	19.7
61.02896	3.9
65.03925	6.7
67.05169	7.3
67.05506	100.0
69.03423	34.4
69.07056	25.0
71.04980	16.2
71.08621	4.7
71.61132	4.2
73.58780	3.4
74.26423	3.9
79.05493	69.4
81.03418	55.1
81.07061	86.1
83.04975	10.5
83.08619	19.2
84.09811	3.6
85.02905	16.2
85.06545	5.1
87.04480	9.4
91.05475	66.6
93.07039	68.7
95.04962	16.3
95.08604	54.2
97.02905	21.4
97.06519	11.4
97.10174	9.1
99.04461	12.8
105.07017	45.7
107.04964	11.2
107.08606	39.2
109.02863	16.2
109.06513	9.4
109.10152	39.5
111.04459	16.1
111.08115	6.1
113.06023	5.3
117.07013	30.0
119.08582	52.4
121.06533	8.6
121.10130	29.6
123.08060	10.0
123.11726	8.8
125.09653	4.9
127.03928	11.7
128.06184	5.7
129.06998	15.5
131.08574	35.3
133.06496	7.7
133.10126	35.7
135.08116	6.2
135.11696	27.2
141.06975	5.5
143.08582	15.9
145.06516	4.1
145.10130	33.5
147.08073	5.9
147.11679	15.6
149.09627	11.5
149.13301	6.3
151.11162	7.5
155.08482	9.1
157.10146	13.0
159.11726	19.2
161.09641	5.8
161.13263	12.8
163.11134	11.5
169.10136	10.1
171.11673	13.8
173.09648	6.8
173.13281	10.5
177.12894	4.6
181.12276	4.2
183.11673	6.1
184.07362	5.9
185.13303	10.0
187.14827	5.7
191.10651	8.8
199.11263	4.0
199.14810	5.1
209.11707	39.2
213.12750	5.0
216.72636	4.9
227.12819	11.8
227.16435	8.8
229.14331	5.9
238.80162	4.5
259.20529	6.0
259.30170	4.1
261.22330	7.4
273.22089	5.5
275.20123	11.8
283.15372	11.5
289.21671	7.1
301.21649	6.7
335.25827	5.9
384.27026	4.4
451.32291	8.1
469.32980	7.5
500.91858	5.2
501.35690	8.4
519.36731	14.9
525.35895	29.0
543.36798	94.2
561.37659	12.3
669.40009	8.5
687.41107	26.9
705.42041	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.9
53.03947	12.7
55.01869	11.1
55.05509	32.2
57.03434	12.3
57.07059	2.5
59.04985	3.0
65.03937	2.3
67.05503	79.9
69.03434	30.2
69.07078	21.2
71.01373	3.0
71.05002	12.6
71.34231	5.6
79.05055	4.8
79.05492	57.4
81.03421	100.0
81.07057	73.8
83.01344	2.9
83.04987	26.9
83.08616	20.1
85.02897	8.5
85.06526	4.1
91.05477	42.2
93.07041	66.9
95.04980	15.9
95.08043	4.7
95.08609	50.7
97.02888	31.8
97.06532	8.5
97.10143	14.8
99.04459	13.9
99.08138	2.6
105.07037	28.6
107.04949	8.2
107.08600	41.3
109.02879	24.3
109.06538	6.2
109.10160	25.3
111.04451	27.7
111.08095	11.8
115.05415	3.7
117.07002	21.0
119.08582	32.5
121.06516	6.4
121.10133	33.8
123.08077	7.8
123.11718	8.6
125.09649	14.8
127.03910	15.3
129.05498	4.4
129.07062	11.7
131.08574	26.9
133.10126	20.1
135.08092	2.8
135.11716	24.7
141.06941	2.9
142.07748	3.2
143.08560	10.3
143.16716	2.4
145.06483	4.9
145.10104	28.2
147.08038	4.8
147.11662	15.7
149.09621	4.0
149.13257	8.9
153.12747	17.8
155.08571	8.2
157.10124	9.9
159.11734	12.2
161.09586	3.0
161.13313	5.9
163.11191	25.6
169.10120	7.7
171.11681	6.0
173.04485	30.7
173.09616	7.0
173.13240	12.4
175.11203	2.8
181.12242	17.1
183.11685	7.1
184.07338	2.9
185.13295	4.1
187.14873	5.6
189.11230	9.1
191.10640	19.1
197.13310	4.2
199.14900	3.6
209.11754	13.4
211.14874	3.7
211.45894	3.0
227.12767	42.4
243.21263	3.3
259.20612	5.4
261.22211	11.8
277.21707	3.2
283.15384	17.4
289.21771	3.3
299.23849	5.9
301.16437	4.3
301.21753	2.5
311.24011	2.9
317.24658	3.6
318.79700	2.5
331.30127	2.4
333.24103	3.6
335.25815	33.3
351.23233	3.1
353.15826	10.7
369.24149	4.9
387.25494	4.7
417.26151	2.6
427.19528	15.9
433.31125	3.9
451.32108	6.0
469.33063	2.8
479.29834	4.0
515.37421	3.9
525.35864	12.9
543.36841	56.7
554.65814	2.4
561.38098	13.0
564.39044	3.3
651.39368	4.8
669.39557	4.5
687.41016	23.6
705.41907	44.3
705.55859	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	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.8
54.04624	2.6
55.01861	5.1
55.05513	19.3
57.03430	12.1
57.07070	2.7
59.05003	3.2
60.73359	2.4
67.05508	47.4
69.03438	15.4
69.07069	19.4
69.41608	5.0
69.42018	21.7
71.04987	8.0
73.02901	3.4
79.05501	35.1
81.02979	5.4
81.03423	64.2
81.07052	39.3
81.65095	2.7
83.04991	24.8
83.08620	12.6
83.41212	3.0
85.02894	7.0
91.05480	25.1
93.03452	2.8
93.07042	39.7
95.04961	9.5
95.08614	29.6
97.02886	18.0
97.06509	6.0
97.10157	13.4
99.04449	8.8
105.07043	24.0
107.04974	5.8
107.08596	25.6
109.02885	14.1
109.06506	5.7
109.10155	19.0
111.04466	18.9
111.08096	7.8
117.07031	14.4
119.08594	17.1
121.06507	4.3
121.10164	16.5
123.11763	4.7
125.06058	2.7
125.09632	10.0
127.03935	10.6
127.07567	3.3
129.07011	7.3
131.08563	18.8
133.10123	11.2
135.08128	3.0
135.11668	19.7
141.07007	3.7
143.08549	6.9
145.10144	20.0
147.08049	3.0
147.11697	10.0
149.09616	4.2
153.12775	14.8
155.08594	6.3
157.10129	5.6
159.11705	9.5
163.11154	14.3
169.10089	4.0
171.11728	5.0
173.04448	20.6
173.13277	5.7
181.12250	10.1
183.23619	2.6
184.07330	11.7
185.13248	6.7
189.11191	5.2
191.10698	15.1
195.11685	3.0
197.13300	3.8
201.09184	3.0
201.12839	3.3
205.10028	2.7
209.11771	8.3
225.14021	3.2
227.12782	36.2
235.10826	2.8
261.22247	6.7
283.15424	16.2
299.23807	4.2
317.24762	3.0
333.24265	3.4
335.25879	25.5
353.15948	5.7
369.24185	4.2
379.26205	2.8
427.19919	8.9
432.19128	3.0
433.20081	5.1
447.21661	9.2
469.32642	5.7
475.21243	24.9
476.21725	4.5
503.20853	3.6
515.37201	4.3
525.35791	9.8
535.23285	15.9
543.37006	42.2
549.24884	7.8
561.37775	11.5
607.25189	9.3
608.26367	100.0
609.26343	4.9
687.40979	16.0
705.31793	2.1
705.42010	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	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.8
54.04624	2.6
55.01861	5.1
55.05513	19.3
57.03430	12.1
57.07070	2.7
59.05003	3.2
60.73359	2.4
67.05508	47.4
69.03438	15.4
69.07069	19.4
69.41608	5.0
69.42018	21.7
71.04987	8.0
73.02901	3.4
79.05501	35.1
81.02979	5.4
81.03423	64.2
81.07052	39.3
81.65095	2.7
83.04991	24.8
83.08620	12.6
83.41212	3.0
85.02894	7.0
91.05480	25.1
93.03452	2.8
93.07042	39.7
95.04961	9.5
95.08614	29.6
97.02886	18.0
97.06509	6.0
97.10157	13.4
99.04449	8.8
105.07043	24.0
107.04974	5.8
107.08596	25.6
109.02885	14.1
109.06506	5.7
109.10155	19.0
111.04466	18.9
111.08096	7.8
117.07031	14.4
119.08594	17.1
121.06507	4.3
121.10164	16.5
123.11763	4.7
125.06058	2.7
125.09632	10.0
127.03935	10.6
127.07567	3.3
129.07011	7.3
131.08563	18.8
133.10123	11.2
135.08128	3.0
135.11668	19.7
141.07007	3.7
143.08549	6.9
145.10144	20.0
147.08049	3.0
147.11697	10.0
149.09616	4.2
153.12775	14.8
155.08594	6.3
157.10129	5.6
159.11705	9.5
163.11154	14.3
169.10089	4.0
171.11728	5.0
173.04448	20.6
173.13277	5.7
181.12250	10.1
183.23619	2.6
184.07330	11.7
185.13248	6.7
189.11191	5.2
191.10698	15.1
195.11685	3.0
197.13300	3.8
201.09184	3.0
201.12839	3.3
205.10028	2.7
209.11771	8.3
225.14021	3.2
227.12782	36.2
235.10826	2.8
261.22247	6.7
283.15424	16.2
299.23807	4.2
317.24762	3.0
333.24265	3.4
335.25879	25.5
353.15948	5.7
369.24185	4.2
379.26205	2.8
427.19919	8.9
432.19128	3.0
433.20081	5.1
447.21661	9.2
469.32642	5.7
475.21243	24.9
476.21725	4.5
503.20853	3.6
515.37201	4.3
525.35791	9.8
535.23285	15.9
543.37006	42.2
549.24884	7.8
561.37775	11.5
607.25189	9.3
608.26367	100.0
609.26343	4.9
687.40979	16.0
705.31793	2.1
705.42010	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	705.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
51.32551	0.3
53.03944	3.4
55.01865	1.4
55.05507	1.9
56.96568	0.5
57.03428	0.8
57.07058	0.3
59.04998	0.5
61.74561	0.4
65.03952	0.5
67.05493	2.6
69.03428	8.4
69.07072	1.8
69.47829	3.7
71.01347	0.4
71.04996	2.6
73.02908	0.7
77.03947	0.4
79.05490	3.9
81.03416	19.1
81.07059	7.2
83.01337	1.1
83.04986	1.9
83.08615	0.8
85.02911	2.0
91.05476	8.6
93.07041	10.6
95.04967	4.5
95.08609	6.7
97.02888	15.6
97.03517	0.8
97.06554	1.0
99.04443	4.2
103.05474	0.9
105.03383	0.4
105.07031	12.7
107.04949	2.8
107.08591	13.0
109.02876	100.0
109.06513	5.6
109.10163	4.0
111.04440	5.3
111.08075	4.5
113.06007	1.0
115.03967	0.8
117.07022	1.6
119.04904	0.5
119.08579	32.2
121.06514	3.5
121.10143	10.8
123.04424	1.0
123.08074	10.6
123.11681	2.9
124.08866	1.4
125.09627	72.5
127.03912	74.1
128.06232	1.4
129.07027	1.0
130.07716	0.5
131.04933	1.0
131.08549	1.9
133.06497	2.9
133.10126	29.1
135.04419	0.4
135.08025	1.5
135.11685	3.7
136.18089	0.4
137.05945	1.9
137.09601	3.5
141.07056	0.4
143.08539	4.2
145.02911	0.4
145.04959	8.1
145.06441	1.8
145.10139	2.9
146.07272	0.7
147.04439	0.8
147.08037	15.5
147.11723	0.7
149.05980	0.9
149.09593	1.3
151.07559	1.7
151.11169	4.0
157.10135	1.4
159.08052	1.4
159.11697	1.2
161.06004	1.4
161.09619	19.7
163.03925	0.7
163.07588	1.8
163.11229	3.0
165.09111	20.0
167.07077	4.2
167.08444	0.7
169.10085	0.5
171.08107	1.4
171.11682	1.0
173.05977	0.7
173.09613	1.2
173.13321	1.1
175.07504	0.4
175.11185	1.0
177.05463	1.0
179.07211	0.5
179.10675	16.1
181.06619	0.3
181.07150	0.4
181.08601	3.6
183.08052	0.7
183.11659	0.9
185.09590	0.6
185.13338	0.7
187.07529	0.5
187.11142	0.7
187.14877	0.7
189.09100	16.6
190.09595	0.7
191.07034	0.5
192.21567	0.4
193.04924	0.8
193.08603	1.4
195.10155	0.4
197.09668	0.6
199.07430	0.5
199.11201	0.9
199.14832	0.6
201.09291	0.5
201.12782	0.5
203.10771	0.5
205.08618	1.1
207.10164	23.3
211.09499	0.6
211.14790	0.6
213.11156	1.3
215.10637	1.0
215.14255	0.4
217.08669	0.9
217.12170	0.7
219.13783	0.7
221.08025	0.8
223.09639	1.0
225.11195	45.2
227.06895	0.4
229.15831	1.0
231.10027	0.5
233.11684	0.9
237.11058	0.8
243.17523	0.5
249.11122	1.0
253.15837	0.9
259.09689	0.9
267.12311	5.5
267.17429	0.6
271.17056	1.9
279.12231	0.9
285.11285	0.5
285.18372	1.2
287.12802	0.7
289.17950	2.1
295.16901	0.6
297.13559	0.7
297.18573	0.6
303.12253	3.7
303.19482	0.7
313.18054	2.7
315.12115	2.6
315.19394	1.5
319.11746	1.9
321.13306	7.6
331.19040	13.1
333.13327	6.6
337.12735	0.7
349.20074	13.7
351.14413	8.2
367.21051	1.5
391.21161	7.4
411.21271	0.6
421.22479	2.2
439.21030	2.3
445.22406	0.5
457.22202	22.8
458.22498	0.5
475.23257	15.7
493.24100	1.8
515.76898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
52.03153	0.3
53.03949	2.9
54.28517	0.3
55.01872	1.2
55.05511	1.9
55.44991	0.3
57.03429	0.8
57.07079	0.4
59.05003	0.7
60.03489	0.3
65.03927	0.4
67.05502	2.3
69.03427	8.5
69.07060	1.2
70.86903	0.4
70.87249	0.6
71.04990	1.9
73.02914	0.7
77.03938	0.3
79.05492	3.2
81.03415	18.4
81.07055	5.8
83.01348	1.1
83.04980	1.6
83.08617	0.8
85.02912	1.8
85.06550	0.3
88.30924	0.3
91.05475	7.0
93.07044	11.1
95.04967	1.9
95.08607	7.0
96.00767	0.3
97.02891	18.1
97.06533	0.9
98.97580	0.5
99.04448	4.1
103.05471	0.7
105.07027	13.3
107.04951	1.5
107.08592	13.6
108.08869	0.4
109.02878	100.0
109.06502	6.0
109.10174	2.9
110.03165	0.8
111.04433	2.4
111.08068	4.7
113.06014	0.8
115.03942	1.0
117.07034	1.7
117.72275	0.3
119.04993	0.6
119.08578	31.4
120.08883	0.5
121.06496	2.4
121.10140	11.1
123.04447	0.7
123.08069	10.0
123.11720	3.1
124.08875	1.6
125.09626	71.3
126.09978	0.4
127.03912	65.9
128.04198	0.7
128.06236	0.8
129.06917	0.5
131.08560	1.7
133.06485	1.3
133.10124	27.6
134.10486	0.5
135.08032	1.3
135.11685	3.9
137.05997	1.6
137.09615	4.5
139.07542	0.6
143.08554	4.2
145.02966	0.3
145.04962	8.1
145.06216	0.4
145.10143	2.6
146.07262	0.5
147.08040	15.1
147.11739	0.5
148.08754	0.3
149.05952	0.7
149.09605	0.8
151.07504	1.3
151.11172	3.7
157.10146	1.3
159.08041	0.5
159.11713	1.1
161.09621	19.4
161.13271	0.5
162.10011	0.4
163.07539	0.8
163.11172	2.9
165.09108	19.9
167.10703	0.4
169.10106	0.6
171.08063	1.1
171.11751	0.6
173.09579	0.5
173.13260	1.0
175.11195	1.1
175.14914	0.3
177.05476	1.0
177.09033	0.4
179.10672	16.8
183.11771	0.4
185.13284	0.6
187.11267	0.4
187.14789	0.6
189.07376	0.7
189.09097	14.7
193.04936	0.6
193.08678	0.4
195.11819	0.4
196.23303	0.3
201.12688	0.4
203.10732	0.3
205.08618	0.3
207.10162	22.5
208.10442	0.4
211.14714	0.5
213.12749	0.3
215.10756	0.3
219.13657	0.4
225.11206	39.8
225.16161	0.9
226.11542	0.7
227.14426	0.5
229.08539	0.4
229.15854	0.8
231.13832	0.6
233.11775	0.5
237.11227	0.7
243.12170	0.4
249.11205	0.9
253.15883	0.6
257.07901	0.4
267.12280	4.0
267.17471	0.4
271.16879	2.0
285.18512	0.8
289.17938	2.5
295.16873	1.0
297.10928	0.5
297.13776	0.6
303.08643	0.8
303.12033	0.4
303.19357	0.9
313.17972	2.3
314.24100	0.3
315.12262	2.1
321.09747	0.7
331.19031	11.7
332.19351	0.5
333.13297	6.2
349.20099	13.9
351.14413	8.5
367.21231	1.4
391.21164	7.7
393.20923	0.4
396.27945	0.4
409.22369	0.5
411.21780	0.3
421.22311	2.6
439.21210	2.1
445.22110	0.4
457.22214	24.7
458.22415	0.8
475.23273	16.6
476.23639	0.6
493.24292	2.0
516.24744	0.8
516.74817	1.9
536.23199	0.4
705.52039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
55.01867	3.4
55.05510	4.0
57.03437	2.5
59.05010	1.0
65.03929	1.4
67.01865	1.4
67.05511	4.9
68.99796	4.1
69.03430	12.6
69.07055	3.1
71.04996	3.8
79.05506	5.8
81.03419	24.4
81.07069	10.6
83.01370	1.0
83.04971	3.7
83.08604	1.8
85.02900	7.2
85.06546	1.6
91.05482	11.5
93.07046	15.3
95.04980	6.0
95.08613	10.2
97.02898	23.3
97.06523	1.6
98.03710	0.9
99.04457	4.4
100.11104	0.9
103.03966	1.0
103.05459	1.8
104.52587	0.9
105.07036	24.1
107.04964	8.7
107.08601	18.8
109.02885	100.0
109.06525	7.8
109.10156	6.2
111.04462	5.1
111.08101	6.3
113.05971	1.5
115.03940	0.9
115.05485	1.6
117.07029	3.4
119.04946	1.3
119.08586	42.6
121.02850	0.9
121.06509	5.4
121.10146	14.3
123.04433	4.5
123.08081	14.2
123.11708	4.0
124.08874	1.7
125.09637	79.3
126.10069	1.1
127.03925	81.9
128.06252	1.4
129.06950	1.7
131.08566	4.4
133.06494	7.3
133.10138	30.9
135.08060	3.4
135.11705	4.8
137.05986	2.9
137.09596	4.7
139.03906	1.2
143.08565	6.7
145.04965	8.4
145.06485	2.3
145.10114	5.2
146.07260	1.2
147.04404	3.3
147.08061	17.4
147.11693	2.5
149.02397	1.1
149.05969	2.0
149.09618	1.9
151.03900	6.4
151.07539	3.0
151.11160	5.0
153.01828	33.9
155.08554	1.5
157.10121	2.8
159.08060	1.7
159.11726	2.4
161.05991	6.3
161.09622	25.9
162.06322	1.3
162.09949	1.0
163.03873	2.8
163.07542	8.0
163.11197	4.3
165.01863	1.2
165.05453	2.4
165.09125	27.0
167.07031	16.4
169.04988	2.4
169.10152	1.6
171.02946	5.0
171.08066	1.3
171.11729	2.0
173.09668	1.6
173.13271	2.6
175.03928	1.2
175.07520	2.1
175.11127	1.2
175.14740	1.1
177.01921	2.1
177.05525	1.0
179.07193	0.9
179.10686	19.2
181.08679	1.4
181.10214	0.9
183.11668	1.1
185.09683	1.6
185.13228	1.6
187.03848	1.2
187.11121	1.1
187.14867	1.1
189.05472	9.4
189.09114	18.8
191.03377	3.5
191.10762	1.1
193.04974	7.9
193.08664	4.2
194.09007	2.8
195.02881	15.7
195.06522	10.6
195.10172	5.9
197.09605	1.2
197.13208	1.5
199.11220	1.2
201.12801	1.2
203.07104	1.3
203.10704	1.1
205.05095	1.0
205.08739	0.9
207.06812	1.5
207.10161	27.1
207.93723	0.9
209.04457	1.2
213.07619	9.7
213.11191	18.5
213.13042	1.4
215.03439	1.4
217.04968	27.7
217.12128	1.2
219.02989	6.3
219.06401	4.5
223.09502	1.1
225.11221	43.8
229.15677	1.1
231.06554	1.2
233.08066	1.7
235.06006	20.1
235.08363	1.1
237.07576	6.4
237.11172	1.2
239.09178	2.2
243.02817	1.8
249.11224	3.6
253.15686	1.4
255.08595	3.5
257.08084	1.2
259.06033	3.6
261.03912	2.0
261.07614	8.9
267.12280	15.1
271.17130	1.4
277.06979	2.2
279.08603	2.4
285.07544	6.5
285.18698	2.2
289.18018	3.0
295.17001	2.5
297.13489	1.3
303.08698	8.2
303.12000	1.4
303.19736	1.4
309.85046	0.8
313.17993	5.6
315.12091	1.5
321.09872	1.5
321.13394	3.3
331.19046	12.7
333.13370	4.6
347.18616	1.8
349.20148	14.8
351.14450	7.6
378.44205	1.1
391.21127	25.3
409.22165	1.8
421.22269	2.1
439.21329	1.9
451.23428	2.4
457.22278	21.0
459.27142	1.4
470.99289	0.9
475.23325	16.8
493.24396	6.3
565.24072	2.2
583.25397	2.0
588.59412	1.1
627.24292	1.3
633.26843	2.0
643.26959	1.1
651.28210	1.1
669.28754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1849
Annotation	Diinsinin
Peak:m/z	Relative Intensity
53.36811	0.2
69.25601	2.5
96.21373	0.2
138.59543	0.2
138.64319	0.2
156.04257	0.7
177.00708	0.3
189.00714	0.3
219.01772	0.4
362.09766	0.4
362.60123	0.3
363.06747	1.8
381.08014	1.5
525.12250	7.7
543.13214	8.8
544.13580	0.3
705.18542	100.0
706.18921	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	705.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93587	0.4
53.03943	3.6
55.01871	1.5
55.05513	2.4
57.03443	1.1
57.07069	0.6
59.05003	1.0
61.64582	0.4
62.05677	0.4
64.05643	0.4
65.03951	0.6
67.01864	0.7
67.05508	3.0
69.03432	9.0
69.07076	1.3
71.04991	3.0
73.02882	0.4
79.05489	4.0
81.03421	19.0
81.07058	6.2
83.01340	1.1
83.04988	1.9
83.08627	1.4
84.04514	0.4
85.02904	2.4
85.06570	0.5
91.05480	7.7
91.06010	0.8
93.07040	9.8
95.04996	2.0
95.08620	5.9
97.02892	19.3
97.06536	1.7
98.21490	1.1
99.04444	3.5
99.08137	0.4
100.11244	0.5
103.05454	0.9
105.07034	14.5
107.04964	1.5
107.08599	13.0
109.02881	100.0
109.06515	5.8
109.10163	3.7
110.03227	0.6
110.39251	0.4
111.04478	2.7
111.08095	5.1
113.06024	0.8
115.03945	1.1
117.07014	1.7
119.08582	33.1
121.06520	2.9
121.10149	10.8
123.04431	0.8
123.08065	10.4
123.11738	3.5
124.08875	1.0
125.06032	0.9
125.09630	69.9
126.09977	1.1
127.03919	67.5
128.04214	0.9
128.06201	1.0
129.07005	0.8
130.07837	0.6
131.04887	0.6
131.08588	1.5
133.06494	1.2
133.10130	29.5
134.10497	0.7
135.04317	0.6
135.08060	1.1
135.11703	3.6
137.06009	1.7
137.09608	4.4
139.07556	0.6
142.68085	0.4
143.08575	4.5
145.02937	0.5
145.04965	7.2
145.06342	1.0
145.10144	2.5
147.08047	15.9
147.11678	1.0
148.08806	0.6
149.05957	0.8
149.09633	0.6
151.07579	1.4
151.11169	3.7
157.10133	0.7
159.08087	0.6
159.11725	1.0
161.05937	0.5
161.08282	1.0
161.09625	20.2
163.07495	1.1
163.11215	2.8
165.09113	20.3
166.09413	0.7
167.07133	0.5
167.10701	0.6
169.10130	0.6
171.08078	0.9
171.11653	0.4
173.09662	0.9
173.13235	0.9
175.11273	0.9
177.05489	1.4
179.10670	15.9
182.15608	0.5
183.11737	0.5
187.14876	0.9
189.09105	14.7
194.31128	0.6
197.13275	0.6
199.11104	0.7
201.09253	0.6
201.12802	0.6
205.12285	0.5
207.10168	22.8
215.10638	0.4
219.13806	0.5
223.59677	0.5
225.11220	42.5
229.15863	0.7
233.11786	0.5
243.12343	0.9
243.17239	0.5
249.11284	0.8
253.15868	0.5
259.09998	0.5
267.12259	4.6
271.16943	2.0
275.88715	0.4
285.18561	1.1
287.12878	0.6
289.18069	2.6
295.16962	0.8
303.08600	0.5
313.17911	2.6
315.12354	2.4
331.19037	14.2
333.13382	6.1
349.20102	15.4
350.58542	0.4
351.14340	9.3
367.21060	1.4
391.21115	8.1
393.21008	0.4
402.65414	0.4
421.22537	2.3
439.21069	2.2
457.22244	25.2
458.22675	0.7
475.23297	17.1
476.23450	0.8
493.24310	2.3
705.37207	0.6
705.52301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.185
Annotation	Diinsinin
Peak:m/z	Relative Intensity
56.96332	0.8
56.96578	2.8
67.25257	0.6
69.03439	0.7
69.89713	3.8
69.90005	0.8
80.57784	0.6
84.96044	2.5
85.02889	0.8
97.02933	1.2
98.97586	19.9
110.97572	10.1
112.99143	1.6
116.98632	13.1
127.03922	0.8
128.98615	18.6
131.00160	3.2
134.99709	5.1
140.98643	1.8
143.00159	1.7
144.98103	0.8
146.99667	13.7
149.01237	1.7
158.99670	20.7
161.01231	1.7
162.99065	0.9
165.00771	2.4
167.02330	0.7
170.99661	27.5
173.01227	3.5
174.99142	0.8
177.00722	24.5
179.02292	1.5
182.03404	0.9
182.99681	2.1
189.00726	49.6
191.02298	3.2
195.01802	2.4
200.02385	1.2
201.00728	26.4
201.02563	1.5
203.02347	1.0
207.01801	9.7
207.37053	0.7
212.02377	2.6
213.00758	1.7
217.00180	0.8
219.01781	36.6
220.02411	0.8
225.00789	1.7
231.01811	8.2
233.03534	1.2
237.00722	1.5
237.02827	15.0
242.03365	1.0
243.01779	4.4
245.05397	0.9
247.05034	1.1
249.02802	8.4
255.03972	2.6
259.20593	0.7
261.02814	19.3
262.03052	0.7
267.01819	1.1
273.02911	3.0
279.03918	14.3
285.02759	5.6
291.03888	28.5
292.04227	0.7
302.05615	0.9
303.03897	5.4
305.05359	0.9
309.04919	4.4
315.03934	1.6
321.04968	10.3
326.05844	0.8
333.04932	1.5
345.05017	1.5
351.05969	4.3
363.06165	7.5
381.07095	31.3
395.61722	0.7
399.08163	20.4
409.06625	1.8
422.09903	1.6
423.08072	13.6
435.08069	0.9
441.09387	3.4
446.59564	0.7
453.09174	6.7
478.05161	0.8
483.10535	1.8
525.11975	8.0
543.12543	33.0
705.18372	100.0
706.18530	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	704.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.1
55.05502	0.2
56.05033	0.6
57.07063	0.3
58.06629	0.4
59.07394	0.2
60.08161	6.8
66.59008	0.1
67.05497	0.5
69.07055	0.1
69.38454	0.3
69.38887	0.3
70.06575	0.2
71.07370	3.5
71.08632	0.2
72.08162	0.1
78.34136	0.1
79.05477	0.3
80.97420	0.1
81.07051	0.4
82.06525	0.1
83.08627	0.1
84.04501	0.1
85.10163	0.1
86.09702	35.2
87.10031	0.3
91.05479	0.2
93.07039	0.3
95.08595	0.4
98.06057	0.2
98.21529	0.1
98.98459	2.9
104.10739	3.2
105.07034	0.2
107.04996	0.1
107.08595	0.2
109.06533	0.1
109.10164	0.2
116.54710	0.1
117.07001	0.1
119.08576	0.2
121.10137	0.2
123.11704	0.1
124.99999	22.0
126.00313	0.1
135.11729	0.3
137.13196	0.1
143.01039	0.5
145.10138	0.2
163.01465	0.1
163.11209	0.3
166.02678	0.3
181.10190	0.1
184.07332	100.0
185.07687	0.6
188.14555	0.1
213.28465	0.1
227.12761	0.1
252.15979	0.1
290.86783	0.1
448.20895	0.1
466.22336	0.1
496.33923	0.2
521.38208	0.2
575.49695	0.1
704.44916	17.5
705.45190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
55.51634	0.1
56.05024	0.5
56.76159	0.1
58.06611	0.5
60.08163	6.2
67.05498	0.7
68.74240	0.2
69.07051	0.2
70.06586	0.2
71.07372	3.0
71.60764	0.2
79.05522	0.2
81.07059	0.6
86.09703	30.2
87.10023	0.3
89.19769	0.1
91.05525	0.2
93.07037	0.3
95.08617	0.3
97.10165	0.1
98.98463	2.8
104.10741	2.1
104.53413	0.1
107.08593	0.2
109.10188	0.2
125.00002	17.5
131.08586	0.2
143.01079	0.4
152.96332	0.1
161.62431	0.2
163.11253	0.2
166.02791	0.3
183.13504	0.1
184.07335	100.0
185.07693	0.6
200.43382	0.1
401.63486	0.2
419.59702	0.1
491.37769	0.2
496.34052	0.2
704.45007	8.3
705.45135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01872	2.2
55.05507	1.0
56.05021	0.5
65.03950	0.8
67.05505	3.9
69.03426	2.7
69.07056	1.3
69.12423	0.4
70.06577	0.7
70.95032	1.0
71.04977	1.0
72.08183	0.5
74.06084	2.8
74.09718	1.5
79.05489	5.7
81.03425	4.4
81.07043	3.2
83.01330	0.5
83.04980	1.7
85.02889	1.0
91.05472	7.2
93.07037	6.4
95.04951	2.7
95.08606	3.3
97.02891	6.4
99.04469	0.9
103.05459	5.2
105.07027	52.2
106.07358	0.5
107.04957	2.4
107.08585	8.1
109.02868	8.5
109.06517	2.5
109.10153	7.4
111.04438	3.9
111.08077	0.9
113.06009	0.4
115.05442	8.9
117.06998	0.8
118.04115	2.7
119.04955	0.7
119.08579	11.2
121.02866	1.2
121.06511	2.2
121.10120	3.5
123.04410	1.5
123.08068	2.5
123.11763	0.8
125.09602	2.2
127.03912	13.1
128.06223	1.0
129.07028	2.0
131.04921	2.4
131.08568	2.0
133.06487	54.7
133.10118	8.7
134.06807	0.7
135.08055	3.3
135.11674	1.5
137.05984	1.4
137.09613	1.3
142.07774	0.7
143.04977	0.8
143.06055	2.6
143.08519	3.0
145.02908	0.5
145.04950	0.7
145.06451	0.7
145.10089	2.8
147.08046	5.2
147.11674	0.9
149.05945	0.6
149.09572	2.3
151.03915	1.0
151.11185	1.1
155.08492	0.7
156.09367	0.6
157.10127	1.7
157.57585	0.4
159.08037	0.9
159.11694	1.4
161.05975	96.2
161.09567	7.3
161.13264	0.9
162.06361	0.4
163.03981	0.5
163.07530	0.6
163.11185	2.9
164.46582	0.4
165.07076	0.8
165.09117	5.5
166.07733	1.0
167.07088	1.6
169.10164	0.5
171.08011	0.6
171.11690	1.9
173.09608	0.8
173.13268	1.0
175.11140	0.8
177.05501	0.6
179.10663	3.7
181.10120	1.8
183.11688	0.6
185.09622	2.9
185.13168	0.7
187.11174	0.9
187.14934	0.6
189.09125	4.1
189.12718	0.8
191.10748	1.0
193.08598	100.0
197.09590	0.6
199.11171	7.4
203.10703	0.6
203.18094	0.6
207.10109	4.5
217.12260	4.1
223.11099	0.6
225.11200	12.8
231.13593	0.4
235.13223	0.8
237.12750	0.6
267.12366	0.6
279.17450	0.7
287.19876	0.6
297.18472	1.6
313.18033	0.7
315.19522	5.3
331.18951	0.8
331.38861	0.5
333.13150	0.7
333.20505	0.6
335.67328	0.5
349.20062	0.7
351.14371	1.2
351.19299	0.4
357.20627	1.6
369.20441	1.2
391.20486	0.4
395.22479	0.7
423.21591	1.8
441.22696	6.8
457.22195	0.9
459.23828	2.7
475.23230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.66457	0.2
53.03941	1.1
54.38922	0.2
55.01872	2.1
55.05503	0.8
57.03423	0.4
58.46730	0.2
63.02363	0.2
65.03927	0.3
67.05506	3.2
69.03423	2.6
69.07067	0.6
69.71414	1.4
71.04987	0.7
73.02907	0.3
77.03938	0.5
79.05487	7.0
81.03414	3.5
81.07056	3.5
83.01337	0.3
83.04969	0.8
83.08620	0.4
85.02908	0.6
89.03920	0.4
90.04706	0.5
91.05475	6.5
93.07040	6.5
95.04965	1.9
95.08600	3.9
97.02888	5.0
97.06522	0.9
99.04456	1.3
103.05465	4.9
105.07026	55.0
106.07335	0.4
107.04958	2.2
107.08590	6.8
108.04479	0.4
109.02880	5.0
109.06517	2.5
109.10152	7.4
111.04453	2.2
111.08076	1.0
115.04102	0.2
115.05447	8.9
117.07040	1.7
118.04153	2.8
119.04947	0.7
119.08574	10.5
121.02867	1.3
121.06492	2.1
121.10149	2.7
123.04465	1.4
123.08070	1.9
123.11707	1.1
125.05975	0.3
127.03911	9.8
128.06218	1.1
129.07008	2.0
130.07765	0.3
131.04932	1.8
131.08566	2.2
132.05670	0.4
133.06487	49.6
133.10123	8.6
134.06825	0.5
135.08041	4.5
135.11700	1.1
137.05946	0.6
137.09610	1.4
137.13281	0.3
139.07504	0.4
141.06978	0.5
142.07780	0.9
143.04913	1.0
143.06050	2.8
143.08557	3.2
145.04961	0.7
145.06497	0.6
145.10127	2.9
146.07327	0.2
147.08040	5.7
147.11700	1.0
149.05969	0.6
149.09608	1.9
151.07539	0.3
151.11186	0.9
153.05450	0.2
153.06952	0.4
155.08548	0.7
156.09315	0.4
157.06487	0.8
157.10155	1.5
159.08054	1.0
159.11687	0.8
161.05972	96.8
161.09564	6.5
162.06306	1.1
163.11169	3.7
165.06943	0.7
165.09100	5.1
166.07736	1.0
166.09125	0.2
167.08563	0.3
169.10127	0.9
170.07214	0.3
171.08104	1.0
171.11678	2.2
173.09601	1.1
173.13156	0.2
175.07445	0.3
175.11243	1.0
177.09222	0.2
179.10657	4.1
181.08612	0.4
181.10104	2.2
181.46609	0.2
184.08784	0.6
185.09610	3.6
187.11160	0.7
189.09091	3.7
189.12752	0.7
191.10675	1.1
193.08598	100.0
194.08864	1.0
195.11748	0.4
197.09576	0.5
197.13269	0.3
199.11163	8.4
199.14813	0.3
201.09142	0.3
203.10674	0.9
205.08618	0.3
207.10161	4.5
209.13295	0.3
211.11295	0.2
211.14803	0.2
213.12570	0.4
215.10669	0.3
217.12245	4.3
221.11516	0.3
225.11205	10.4
227.12701	0.3
235.13080	1.1
237.16281	0.2
251.17981	0.3
255.17407	0.3
259.13257	0.4
267.12250	1.2
269.19061	0.4
272.07242	0.3
277.14301	0.6
279.17563	0.2
287.20132	0.2
297.18430	1.2
301.10617	0.2
315.19525	4.4
316.36499	0.2
333.13290	0.9
333.20535	0.3
341.21103	0.6
351.14355	0.5
351.19250	0.3
357.20639	2.4
369.20499	2.1
375.21619	0.6
384.94235	0.2
405.20837	0.6
411.21692	0.4
413.22766	0.3
423.21722	2.1
441.22781	5.9
459.23676	2.1
477.24652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05730	0.5
51.88541	0.5
53.03945	1.4
55.01868	2.1
55.05515	0.9
57.85616	0.7
65.03937	0.6
67.05510	2.3
68.87329	0.5
69.03431	1.5
69.07072	0.9
69.24311	0.6
71.05006	1.1
71.59108	0.8
73.02940	1.0
79.05498	5.6
81.03419	4.0
81.07068	3.6
82.37988	0.5
83.04973	1.0
85.02910	1.3
86.23306	0.5
86.69283	0.5
91.05490	5.5
93.03398	0.6
93.07053	5.8
95.04964	2.4
95.08623	3.3
97.02892	5.3
97.10197	0.7
99.04409	0.8
103.05457	3.1
105.07034	52.6
105.85799	0.7
107.04952	1.2
107.08603	5.8
109.02894	5.1
109.06534	2.3
109.10158	6.1
111.04430	4.6
111.08080	0.7
115.05444	8.3
117.07042	1.4
118.04156	2.9
119.07796	0.9
119.08591	10.5
119.09370	1.2
121.06499	1.7
121.10144	4.5
123.04434	0.8
123.08077	1.1
123.11729	1.3
127.03909	10.9
128.06226	0.8
129.07016	1.1
131.04944	1.6
131.08589	1.4
133.06499	54.1
133.10129	7.5
135.08070	3.5
135.11708	1.4
137.09621	1.1
139.03850	0.6
139.07547	1.0
142.07762	1.2
143.05005	1.3
143.06067	3.2
143.08565	2.4
145.10081	2.9
146.07269	0.6
147.08061	5.2
147.11581	0.7
149.09619	1.8
151.11232	0.9
156.09296	0.9
157.10173	1.6
159.08159	1.1
159.11697	1.3
161.05989	97.8
161.09587	5.6
163.03856	0.7
163.11163	2.7
165.09137	4.8
166.07784	0.7
167.07080	2.3
167.08398	0.7
169.10158	1.0
171.08102	0.7
171.11711	2.3
173.09622	0.8
173.13220	0.9
179.10703	3.1
180.91994	0.6
181.10153	1.3
185.09659	3.1
187.07481	0.6
189.09087	3.3
189.12712	0.7
191.10573	0.9
193.08614	100.0
194.09070	0.7
197.13206	0.8
199.11198	6.0
199.14876	0.8
207.10179	4.7
209.11745	0.9
217.12256	3.4
225.11223	10.4
237.12811	0.7
251.86726	0.6
255.17195	0.7
269.18903	1.0
287.20178	0.7
297.18579	1.7
297.43069	0.6
315.19604	5.5
333.20779	0.7
344.15448	0.6
357.20819	0.8
369.20721	1.3
405.20734	0.8
423.21570	1.6
441.22882	5.7
459.23682	2.5
704.28625	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	16.1
65.90347	0.4
67.05517	2.0
69.03412	0.4
69.07055	0.5
69.83702	1.4
69.84116	0.6
71.04998	0.5
71.95233	1.6
74.97590	0.6
79.05454	1.5
81.03381	1.5
81.07055	1.9
83.04939	0.9
83.08603	0.6
84.96002	0.5
85.02831	0.7
91.05454	1.4
93.06998	1.5
95.04944	1.1
95.08574	1.6
95.81900	0.4
97.02863	0.6
98.97562	1.9
105.06998	1.4
105.24991	0.3
107.08587	1.9
109.10153	2.0
115.00697	0.4
116.98627	2.6
117.06998	0.5
119.08551	1.1
121.10122	0.6
127.03835	0.5
128.98604	0.4
129.06946	0.8
131.08540	1.0
133.01682	0.4
133.10097	0.9
134.99615	1.7
135.04431	0.5
140.00139	0.4
145.10091	0.7
153.00703	0.4
155.03792	0.7
157.10092	0.4
158.01236	0.6
159.11769	0.5
161.01198	1.5
163.02652	0.4
167.03844	1.4
173.01175	0.8
174.01971	1.0
179.02248	0.7
181.03926	0.5
185.04825	2.9
187.02774	0.6
187.11229	0.5
187.99931	1.2
191.02254	0.6
192.03000	0.7
196.94620	0.4
197.04866	0.5
199.02782	0.4
203.05914	35.0
205.03619	0.5
206.00883	0.5
209.08528	0.9
214.01465	3.2
214.80786	0.3
215.05856	0.5
219.06984	0.5
219.17424	0.7
221.06967	33.6
226.01477	0.6
226.07541	4.5
232.02617	0.8
237.08002	1.8
239.07864	0.7
241.03694	0.4
244.08627	2.3
249.04585	0.4
249.09253	0.4
253.07443	1.0
255.09007	3.3
257.10547	0.5
258.04163	0.5
259.04700	0.6
263.05878	1.4
264.06738	3.4
267.05432	2.5
271.08496	0.6
273.10086	1.2
275.19843	0.4
276.08734	0.4
277.11237	0.4
279.09061	1.0
279.12433	0.6
281.07001	6.2
282.07748	22.4
283.08292	0.4
285.06577	0.8
297.10083	1.4
297.13586	1.1
299.08017	7.5
300.08823	8.5
304.08618	1.2
305.09396	3.5
322.09714	1.0
323.10364	1.5
345.17087	1.0
361.16794	0.7
363.18643	0.5
371.15158	4.0
379.18170	0.6
389.16339	15.6
390.16748	0.6
407.17419	59.8
408.17859	1.8
412.17969	6.6
413.18219	0.5
425.18567	2.1
429.15833	0.5
430.19000	7.4
431.19513	0.5
453.20663	1.4
468.18494	0.5
483.20993	0.4
541.35455	1.5
595.25476	2.7
703.35095	100.0
704.35583	4.4
721.36560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
55.01875	3.9
55.05510	2.6
57.03439	1.3
65.03934	1.2
67.05496	7.2
68.99788	2.0
69.03429	10.6
69.07072	1.2
71.04988	9.1
71.13848	0.9
71.59720	1.6
71.60120	1.1
73.02878	1.4
79.05500	5.5
81.03417	21.9
81.07056	10.6
83.04989	2.2
83.08629	1.8
85.02914	2.6
91.05473	11.1
93.07039	12.8
93.31176	1.0
95.04995	4.2
95.08614	8.6
97.02889	19.6
97.06542	1.4
97.10169	1.5
99.04433	3.0
105.03377	1.2
105.07033	17.5
106.04175	1.2
107.04915	2.3
107.08591	17.3
109.02876	100.0
109.06519	8.3
109.10155	5.0
111.04437	3.8
111.08060	7.2
113.06003	1.7
115.05473	1.7
117.07023	2.7
119.04895	1.7
119.08578	41.6
121.06511	4.7
121.10155	15.7
123.04432	2.2
123.08061	10.8
123.11719	2.7
123.54060	1.0
124.08884	1.5
125.09623	80.1
126.09902	1.3
127.03912	63.0
128.06195	1.6
129.06995	2.2
130.02562	1.1
131.04916	1.5
131.08539	3.0
132.05745	1.0
133.06476	2.6
133.09105	1.7
133.10120	33.4
135.04445	2.1
135.07997	1.7
135.11693	4.9
137.05992	8.4
137.09624	3.8
141.05457	22.1
143.08568	7.4
145.04973	8.5
145.06372	1.4
145.10133	3.7
147.04420	6.3
147.08043	21.5
147.11636	1.5
149.06010	1.7
149.09596	1.8
151.07584	3.7
151.11197	4.2
153.05446	2.5
157.10063	1.2
159.08083	1.3
159.11784	1.2
160.05231	2.4
161.05977	6.2
161.09612	22.5
163.03891	6.4
163.07561	2.6
163.11230	3.2
165.05537	6.5
165.06857	1.3
165.09120	24.4
171.04376	2.4
171.08086	1.2
173.08073	1.4
173.13376	1.9
175.07553	5.7
175.11183	2.0
177.05493	6.0
179.07037	8.8
179.10680	17.2
183.06526	3.2
184.07336	1.5
185.13278	2.5
187.07564	1.2
188.04764	1.3
189.09096	19.2
191.07016	2.8
192.07848	2.4
193.08632	4.7
199.07507	1.5
203.07024	21.2
207.06563	17.3
207.10152	24.1
211.09642	10.9
214.50978	1.1
225.11208	45.9
229.16069	1.3
231.06512	49.6
235.09680	8.7
249.07594	27.7
249.11293	3.2
253.10715	19.9
253.13315	1.3
255.10094	1.1
267.12247	15.0
271.16885	2.3
273.11066	2.4
277.10742	9.5
285.18515	1.5
289.18027	3.0
301.10651	6.8
313.17960	2.1
315.11893	3.0
319.11731	8.4
331.19049	17.3
333.13245	6.8
349.20120	12.0
351.14398	8.4
367.21548	1.4
378.43021	1.2
390.23190	1.1
391.21173	14.3
421.22083	1.6
439.21112	1.3
451.23273	3.1
457.22269	13.9
475.23346	10.9
541.34949	1.5
579.25861	3.7
584.98419	1.2
636.65460	1.4
703.39081	2.2
719.42548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.7
57.07077	3.6
57.95605	0.6
60.46511	0.6
63.02423	0.6
67.05498	6.1
69.03376	0.6
69.07068	8.7
69.35274	0.8
69.35667	5.8
70.06584	0.7
71.08610	0.8
79.05499	4.1
81.07057	100.0
82.07371	0.7
86.09722	0.9
93.07026	0.8
95.08607	40.4
98.98486	4.8
105.07079	0.6
109.10156	2.5
127.03945	0.8
135.11665	0.6
137.06012	0.9
137.13252	92.6
137.87662	0.6
138.13554	0.8
163.03926	1.7
167.07048	0.8
190.96332	0.7
235.10944	30.4
247.44373	0.7
252.31171	0.6
309.21881	0.7
357.86765	0.7
406.16220	0.6
406.94617	0.6
469.20947	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.2
57.06863	0.5
57.07082	5.4
60.10852	0.6
67.05508	7.8
69.07072	9.0
70.06584	0.8
70.87720	1.4
70.88040	0.6
71.08636	1.5
79.05495	3.9
81.07061	100.0
82.07381	1.3
85.02897	0.7
91.05499	0.6
91.77209	0.5
93.07030	1.1
95.08612	45.2
96.08950	0.9
97.02886	0.9
98.98470	6.1
109.10152	2.8
109.39201	0.5
111.24232	0.5
127.03982	0.8
129.39024	0.7
135.11676	0.6
137.06021	0.9
137.13261	78.1
138.13623	1.2
147.04442	1.1
172.95242	0.9
177.05479	1.2
235.10963	22.8
274.94315	0.7
367.72311	0.8
408.28320	0.6
469.20901	1.3
520.45441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01875	3.7
55.05262	3.1
55.05512	46.6
57.03445	13.4
57.07068	7.8
59.83989	2.0
61.02919	6.1
67.05509	58.7
68.05874	1.7
69.03423	6.3
69.07077	20.3
69.43967	12.2
69.44375	4.5
71.08661	4.3
75.29102	2.0
79.05500	38.1
80.00748	1.8
81.03407	3.0
81.07060	44.9
83.04986	4.1
83.08629	33.1
85.02905	4.4
85.06516	4.1
85.10180	2.0
89.06034	8.6
91.05484	15.5
93.07051	37.2
95.04981	3.7
95.08612	35.1
97.02908	3.0
97.06529	2.0
97.10176	69.2
105.07048	10.4
107.08603	32.1
109.06521	3.0
109.10156	22.4
111.08086	3.8
112.45724	1.9
117.07028	8.7
119.08601	8.0
121.10152	14.5
123.08052	1.9
123.11720	5.6
125.09637	63.4
131.08578	9.2
133.08595	5.0
133.10152	7.1
135.08063	6.3
135.11671	10.8
143.10703	3.9
145.10100	8.8
147.11678	4.3
149.13263	5.2
152.15625	1.7
153.09108	4.6
159.11699	4.0
161.13260	3.5
171.10245	2.9
173.13240	4.8
184.07338	4.0
187.14819	2.0
189.11229	47.9
227.10545	3.7
227.12796	78.8
227.20065	55.1
243.21109	5.7
245.13860	98.4
261.22156	26.8
271.22559	2.1
279.23151	3.6
313.27496	2.3
317.24405	3.4
318.55209	2.0
335.25827	100.0
468.37527	7.9
487.34167	8.4
505.35248	68.4
506.35822	3.0
702.49738	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	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22523	1.1
53.03949	3.2
54.51260	1.3
55.01863	3.7
55.05261	2.8
55.05513	38.0
55.05785	1.9
57.03445	10.7
57.07077	3.0
58.50368	1.3
61.02925	2.9
67.05509	41.2
69.03435	6.6
69.07071	13.6
71.08641	1.5
71.60621	2.2
79.05499	29.0
81.03429	3.0
81.07055	36.7
83.04990	3.4
83.08625	24.9
85.02897	3.9
85.06554	1.5
91.05484	10.8
93.07047	27.3
95.04990	3.2
95.08612	25.8
97.02914	2.3
97.06548	2.1
97.10177	55.2
101.09697	1.3
105.07041	7.4
107.08600	30.6
109.06503	2.1
109.10171	12.9
111.08092	2.8
117.07005	4.8
119.08587	6.6
121.10149	12.5
123.11733	3.5
125.09637	53.7
125.10562	2.8
126.70158	1.2
127.03963	1.4
131.08565	5.4
133.10144	7.7
135.08087	5.2
135.11697	6.8
137.13258	2.2
143.10681	3.8
145.10149	5.7
147.11699	4.2
149.13271	4.7
153.09160	2.9
157.10069	2.0
159.11760	4.0
161.13304	3.2
163.14859	2.7
168.97218	1.2
171.10237	3.2
173.13239	3.3
184.07320	6.2
187.14893	1.6
189.11234	39.1
189.12939	2.5
209.88759	1.3
212.90962	1.4
227.12788	73.2
227.20091	1.9
243.21194	6.1
245.13864	100.0
261.22189	19.8
279.23230	2.0
317.24655	2.0
324.49045	1.5
335.25824	72.4
468.37552	2.8
487.34048	7.0
505.35275	38.8
505.42645	3.0
523.36249	5.7
529.38904	8.5
670.28369	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	702.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01260	0.3
51.09067	0.3
53.03932	0.4
55.05501	1.6
57.07071	6.8
58.06598	2.3
60.04503	0.3
65.03643	0.4
65.03934	4.1
67.05495	2.3
68.05001	0.5
69.03391	0.6
69.07072	1.5
70.06586	19.1
71.08624	2.8
71.59779	0.4
72.08128	0.7
75.53220	0.3
77.03911	0.7
79.05477	1.6
81.07049	2.6
82.07349	0.4
83.04946	1.0
83.08604	0.5
84.08132	0.6
85.10159	1.2
86.09670	1.3
88.07624	19.6
89.03910	3.6
90.04211	1.0
91.05048	0.3
91.05483	3.0
93.03352	0.4
93.07009	1.6
95.04944	2.9
95.08591	2.2
96.05293	0.5
96.08931	0.4
102.09174	13.2
103.05442	0.4
104.10675	0.4
105.03377	1.4
105.07020	4.1
106.07345	0.5
107.04936	1.5
107.08565	1.4
109.10130	2.0
111.04420	1.9
112.89574	0.4
117.03370	3.0
117.07047	0.6
118.03664	0.9
119.04917	1.3
119.08572	2.6
120.08915	0.6
121.02837	1.8
121.10166	1.5
123.04409	0.5
123.11711	0.8
129.06996	0.6
131.04933	0.7
131.08575	0.4
132.02260	0.3
132.10199	1.6
133.02841	3.2
133.10103	2.1
134.03154	0.6
134.10475	0.5
135.04414	10.0
135.11685	0.4
136.04741	2.8
139.03891	2.2
145.02831	5.4
145.10078	0.6
146.03168	2.2
146.10716	0.5
146.11737	2.5
147.04399	3.4
147.11691	2.8
148.12015	1.2
149.02336	57.7
149.03412	4.1
150.02705	0.4
161.13239	0.9
163.03893	58.3
164.04233	16.6
173.05986	1.2
175.03926	2.2
177.05466	1.0
179.08304	0.3
180.04207	0.4
181.04982	0.4
183.07816	0.3
184.07326	0.8
186.05441	0.7
189.16394	0.8
190.16827	0.5
193.04951	29.0
194.05325	0.4
199.07617	0.4
201.16312	0.4
203.17979	1.6
204.18262	1.1
212.23660	0.8
219.06506	1.1
221.09602	0.5
225.05327	0.6
233.27045	0.3
237.07523	4.4
238.25339	0.5
239.10789	0.4
241.08675	0.3
256.26334	44.9
257.26724	0.6
263.13968	0.6
278.63864	1.2
289.07065	1.5
290.07510	0.9
297.03897	1.4
297.07245	0.5
300.28958	7.2
305.19067	0.5
306.19052	0.5
313.06995	1.0
319.08078	6.4
320.08441	3.6
321.18393	0.7
322.18851	1.2
322.22604	0.3
323.20013	1.1
324.20569	1.2
338.22006	0.6
341.06540	5.0
359.07642	2.5
365.21048	0.7
366.21509	0.9
379.10138	0.5
380.10379	0.4
385.09158	10.1
385.14117	0.7
387.10733	0.5
403.06247	0.2
403.10223	9.8
429.11765	20.6
430.11868	0.7
473.14420	12.7
497.10825	2.2
498.11298	3.3
499.12009	1.6
500.12573	2.4
522.25769	0.9
545.96405	0.3
582.37317	0.3
640.34998	0.8
684.37286	0.9
702.38513	100.0
703.39093	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05259	0.7
55.05511	7.3
57.07065	2.1
65.03928	1.0
67.05175	0.7
67.05511	9.5
69.03419	0.7
69.07067	5.6
70.79089	0.5
71.08619	0.7
71.61038	1.1
79.05493	5.9
81.03412	0.8
81.07061	12.5
83.04968	2.3
83.08619	3.3
83.26395	0.5
86.09706	1.3
91.05479	7.2
93.06473	0.7
93.07052	14.9
95.04967	1.2
95.08612	58.2
96.08929	1.3
97.02919	0.7
97.06516	0.7
97.10159	2.3
105.07037	11.2
107.04958	2.3
107.08601	20.1
109.06506	1.7
109.10157	15.2
109.10922	0.9
111.04469	4.9
111.08128	0.6
113.04493	0.5
115.05444	0.5
117.07010	2.4
118.98009	0.5
119.08590	16.6
121.06496	0.8
121.10155	15.0
123.08049	0.9
123.11707	6.6
125.00002	0.9
125.06007	7.4
128.06265	0.7
129.07016	1.7
131.08565	4.5
133.06483	0.6
133.10135	13.4
135.08047	1.2
135.11707	10.8
137.05991	3.0
137.13245	1.1
143.08598	2.9
145.10123	6.8
147.08096	0.9
147.11710	5.9
149.05901	0.6
149.13268	4.3
151.07545	1.4
151.11241	1.1
156.09377	0.8
157.10107	4.7
159.08090	0.6
159.11699	8.7
161.09637	3.6
161.13246	5.7
163.07558	1.1
163.14795	2.7
165.09164	1.3
169.10130	2.7
171.11719	4.3
173.09641	1.8
173.13293	4.0
175.11179	0.8
175.14825	2.2
177.09161	1.3
177.16277	0.6
179.10637	4.8
181.10085	0.6
183.11754	1.2
184.07368	3.2
185.09676	1.3
185.13278	4.8
187.11156	4.7
187.14845	2.4
189.09125	1.4
191.10678	2.5
191.17943	1.7
193.12283	1.3
197.13202	0.9
198.10460	0.6
198.12309	0.6
199.11145	1.9
199.13170	0.6
199.14763	3.7
201.12810	1.4
201.16379	2.6
203.10686	1.8
203.17946	5.7
205.12242	5.9
207.13829	2.1
209.13362	0.8
213.12766	2.8
213.16319	0.9
215.14305	0.8
215.17873	0.6
217.12291	2.2
219.13773	2.7
223.14925	0.8
227.14282	2.2
227.17885	0.6
228.61375	0.6
231.13800	7.9
233.15398	0.9
239.17964	2.6
241.15894	1.2
241.19629	3.0
245.15379	4.0
255.21077	6.5
257.22614	0.8
259.16962	1.8
265.19574	1.7
283.20627	8.6
301.21634	100.0
302.21982	3.6
333.06833	0.6
349.15695	0.6
351.46011	0.6
589.48145	1.3
701.49506	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	701.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
57.07096	0.2
65.03939	0.2
66.51744	0.2
67.05500	1.2
69.03427	0.3
69.07067	0.6
69.59151	1.1
70.06583	0.3
77.03929	0.3
79.05479	1.0
81.03403	0.3
81.07055	1.3
83.04990	0.7
83.08639	0.2
89.03896	1.3
91.05490	0.8
93.07046	0.8
95.04961	1.2
95.08619	0.8
105.03427	0.5
105.07018	1.4
107.04958	0.8
107.08607	0.6
109.10172	0.8
111.04462	0.5
117.03378	1.6
119.08587	1.0
121.10139	0.5
123.04473	0.4
123.11684	0.3
129.07043	0.2
131.08534	0.2
133.02867	1.1
133.10201	0.7
135.04417	4.0
137.06053	0.2
145.02834	2.9
145.03880	0.3
145.10164	0.3
147.04436	0.2
147.11649	1.1
151.03845	0.2
157.10246	0.2
159.11711	0.3
161.06114	0.2
161.13342	0.3
163.03902	21.4
164.04253	0.4
167.08646	0.2
173.05988	0.3
184.07291	0.2
185.04312	0.6
189.16512	0.3
199.06023	0.2
203.05223	1.7
203.18036	0.8
204.18600	0.3
259.07834	1.4
289.07104	0.7
305.08423	0.4
306.46368	0.2
319.08093	2.6
321.19089	0.3
323.20111	0.5
337.21573	0.4
337.27835	0.2
347.09622	1.2
361.66849	0.2
365.10568	3.0
365.21097	1.0
421.13190	1.1
469.11557	0.2
497.10696	2.2
499.12289	1.1
509.53586	0.2
516.97882	0.2
521.25092	0.3
539.31879	20.9
540.32208	0.7
701.37213	100.0
702.37738	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	701.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.05505	1.5
57.03425	1.9
57.07061	0.6
59.04989	0.7
67.05502	3.9
69.03432	8.6
69.07054	1.8
69.29414	0.9
69.29807	7.3
70.09869	0.7
71.04984	2.2
73.02911	1.0
79.05485	4.1
80.79379	0.7
81.03416	18.9
81.07063	6.5
83.01340	1.0
83.04977	2.4
85.02908	2.8
85.06540	0.8
89.03923	1.1
91.05480	8.6
93.07044	10.0
95.04974	2.6
95.08605	6.4
95.24514	0.6
97.02892	17.3
97.06527	1.6
99.04470	3.5
101.07141	0.9
103.05455	0.8
105.07037	14.4
107.04971	1.2
107.08595	13.6
109.02881	100.0
109.06516	6.5
109.10165	4.9
111.04465	3.7
111.08067	4.7
111.78513	0.7
113.05996	0.7
115.05442	0.8
117.03358	3.6
117.07027	2.0
119.04948	1.0
119.08585	30.0
121.06526	2.8
121.10142	11.5
123.04459	1.0
123.08071	9.3
123.11722	2.6
124.08833	1.6
125.05995	0.9
125.09633	64.7
127.03918	61.3
128.06216	0.8
130.07709	0.8
131.08598	1.6
133.06502	1.8
133.10129	26.2
135.08078	1.9
135.10815	0.6
135.11696	4.3
136.53320	0.7
137.05998	1.8
137.09618	3.5
143.08522	3.9
145.02855	10.1
145.04965	8.0
145.10150	2.5
147.04332	0.7
147.08049	14.6
147.09216	0.9
147.11731	1.5
148.08731	0.7
149.06012	2.5
149.09520	0.9
151.07559	1.8
151.11205	4.1
157.10213	1.1
159.11766	1.5
161.09618	16.5
163.07555	0.9
163.11215	1.7
165.09119	19.0
167.07030	1.9
167.10576	0.7
175.11179	1.2
177.05478	10.4
179.08635	0.5
179.08965	0.8
179.10674	11.9
179.12172	0.9
183.11719	1.0
185.13300	1.1
187.14833	0.6
189.09113	14.8
189.10765	1.3
193.04997	1.1
195.07875	0.7
197.08066	0.8
197.13177	0.7
203.10872	0.8
205.12450	0.9
207.10156	19.6
207.12044	1.0
209.08000	1.0
211.11241	0.7
217.12170	0.7
225.11212	43.4
229.15689	1.0
243.12239	0.7
243.87277	0.6
267.12308	5.0
271.16953	1.9
285.18442	1.8
289.18008	2.7
295.16913	0.9
313.17816	3.2
315.12415	1.7
331.18997	10.0
333.13293	4.1
349.20108	8.9
351.14352	7.0
367.21359	1.2
391.21085	3.8
421.21997	1.3
435.33017	0.8
439.21457	1.2
457.16513	1.1
457.22235	13.6
475.23196	8.1
646.10962	0.8
701.36298	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01866	4.2
55.05498	1.7
57.07071	1.1
63.81050	0.8
65.03947	0.9
67.05502	3.9
69.03432	10.5
69.07071	1.4
71.04984	2.8
79.05491	4.3
81.03417	19.2
81.07061	7.0
82.40532	0.8
83.04978	2.4
83.08636	0.9
84.83060	0.9
85.02909	3.6
91.05488	8.1
91.51853	0.9
93.07043	11.2
95.04963	2.0
95.08601	7.8
97.02898	20.8
97.06541	1.4
99.04462	3.8
102.04704	1.4
103.05466	9.0
105.07025	19.5
107.04948	2.1
107.08595	13.5
109.02882	100.0
109.06507	6.2
109.10125	3.9
111.04443	3.7
111.08076	5.7
113.05998	1.2
115.03970	1.7
115.05450	1.6
117.03359	1.0
117.07011	2.0
118.04178	6.0
119.04987	1.4
119.08585	33.3
121.06534	4.0
121.10150	12.4
123.04437	1.1
123.08060	9.7
123.11707	2.1
125.09634	64.9
127.03920	64.2
128.06287	1.0
129.07019	1.1
130.04158	4.8
131.04922	11.1
131.08575	2.5
133.06499	2.6
133.10136	28.4
135.08060	1.8
135.11678	3.9
137.05972	2.1
137.09641	3.3
141.07085	0.9
143.08563	5.3
145.02866	1.2
145.04973	7.2
145.06458	1.9
145.10109	2.7
146.03616	1.0
147.04456	2.4
147.08047	15.7
147.11723	1.4
148.05176	2.8
149.06026	2.4
151.07533	1.9
151.11179	2.9
157.10072	1.2
158.72783	0.7
159.04413	0.9
159.11717	1.8
161.05954	1.3
161.09630	18.5
163.07523	2.3
163.11186	2.9
165.09114	17.8
169.10201	1.6
171.11594	1.1
173.06010	3.3
173.09641	1.2
173.13353	1.2
176.04662	9.3
177.05449	4.8
179.10661	14.2
187.10892	0.9
189.09129	14.1
191.07037	63.2
192.07649	0.9
193.05035	2.7
197.09618	2.2
206.05539	1.1
207.06549	1.3
207.10161	23.6
209.08083	9.1
215.10735	1.2
225.11212	44.2
266.00668	0.8
267.12195	4.8
271.16953	2.2
285.18405	1.8
289.18033	2.4
295.11554	1.2
295.16858	1.2
297.13538	1.5
299.09171	3.3
303.19315	1.2
313.17941	2.8
315.12131	1.8
317.10150	1.0
331.19119	10.5
333.13266	5.8
349.20111	9.0
351.14346	8.1
367.21152	1.2
391.21228	6.1
421.21628	1.4
457.22171	14.7
475.23096	9.9
479.18954	7.8
493.24088	1.5
567.46173	1.0
701.32581	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	701.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
52.35387	0.1
53.03928	0.4
53.27170	0.1
55.01876	0.2
55.05508	1.3
57.07065	0.5
62.01567	0.1
63.02376	0.6
65.03943	0.7
65.14000	0.1
66.76011	0.1
67.05165	0.2
67.05503	2.7
69.03429	0.4
69.06721	0.2
69.07069	3.0
69.66991	0.8
77.03921	1.0
78.19019	0.1
79.01871	0.1
79.05059	0.2
79.05490	2.3
81.07058	3.1
83.04981	1.5
83.08627	0.6
89.03914	6.5
91.05481	3.7
93.03400	0.5
93.07047	2.2
95.04350	0.2
95.04967	4.4
95.08604	3.6
98.20736	0.1
103.05456	0.4
105.03383	1.4
105.04506	0.2
105.07031	7.8
107.04959	2.0
107.08595	2.5
109.06517	0.1
109.10150	2.9
111.04447	1.5
111.11694	0.2
115.05461	0.5
117.03378	6.6
117.07043	0.4
119.04942	0.2
119.08584	4.7
121.10139	1.3
123.04434	1.1
123.08081	0.3
123.11705	0.9
127.03904	0.4
128.06288	0.3
129.07004	0.4
131.04932	0.7
131.08585	0.8
133.02856	4.2
133.06532	0.1
133.10127	4.1
134.03624	0.5
135.04414	16.3
135.11714	0.8
136.04665	0.2
137.05995	0.3
137.13290	0.2
139.03893	0.5
140.69778	0.1
141.06969	0.3
143.04951	0.3
143.08540	0.2
145.02846	11.6
145.06500	0.5
145.10110	0.7
147.04408	1.0
147.08134	0.1
147.11682	6.3
149.05974	0.5
149.13255	0.3
152.06245	0.1
153.06999	0.5
155.04958	0.1
155.08514	0.2
157.06508	0.5
158.06007	0.3
159.04384	0.8
159.11670	0.2
161.05937	1.0
161.13249	1.0
163.03903	100.0
164.04271	1.4
165.06993	0.9
167.08524	0.6
169.06474	0.4
171.08064	0.2
173.05978	2.6
175.03922	1.0
175.07547	0.2
175.14883	0.5
176.04715	0.5
177.05504	0.6
177.16418	0.5
178.07745	0.8
179.03406	0.2
179.08589	0.9
181.04967	0.8
181.06514	1.0
181.10150	0.2
183.08014	0.2
185.06003	0.2
185.09590	0.2
186.05458	0.8
187.07547	0.7
187.14850	0.2
189.05463	0.5
189.16388	2.5
191.08620	0.5
192.09344	0.2
193.06522	0.5
193.10114	1.0
195.08174	0.6
197.05952	0.2
197.09735	0.2
199.05965	0.3
199.07576	0.9
201.05476	0.3
201.09030	0.2
201.16385	0.6
203.08636	0.2
203.17953	4.1
205.06525	0.2
205.15913	0.4
206.07281	0.7
207.08101	1.2
207.11641	0.2
207.17403	0.5
209.09659	0.3
210.06754	0.3
211.07516	1.0
213.05473	0.9
213.09145	0.6
215.06827	0.1
219.08089	0.3
219.11723	0.3
220.08792	0.2
221.09613	1.0
223.07648	0.7
223.11281	0.3
225.09111	1.0
227.07083	0.2
227.10774	0.2
229.08621	0.2
233.06100	0.2
233.09618	0.3
234.10371	0.2
234.14120	0.4
235.07533	0.2
235.11224	0.4
237.09155	1.0
239.10677	1.4
241.08635	0.2
247.11237	0.4
248.11865	0.1
249.12772	0.6
251.07106	0.3
251.10797	0.2
253.12270	0.5
262.13519	1.4
263.10764	0.3
263.14389	0.6
265.12302	0.3
267.13840	0.5
269.08276	0.2
277.19382	0.3
279.06622	0.2
281.11792	0.5
281.15106	0.2
289.07120	1.2
291.13803	0.2
297.07593	0.8
303.17255	0.2
305.15662	0.3
305.19016	2.3
309.14886	0.2
317.06458	0.5
319.08121	18.5
320.08603	0.4
321.18484	4.7
322.19040	0.3
323.20053	4.6
337.09247	0.4
337.21622	1.2
347.20007	0.8
355.10376	0.2
365.21133	3.7
366.21402	0.2
379.10184	1.5
495.12949	1.1
497.10806	5.1
498.11520	0.4
499.12393	5.4
521.25391	1.2
645.30585	0.1
701.29529	7.5
702.29871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.2
57.03432	4.4
57.07078	36.1
61.02927	11.5
66.42037	1.0
67.05507	12.0
69.03416	1.7
69.07072	7.8
70.99203	3.3
71.08630	32.6
72.42485	1.1
73.02920	5.5
73.45972	1.3
75.04480	2.5
79.05492	1.2
80.48543	1.0
81.03421	2.0
81.07056	16.4
83.08620	10.4
85.02908	17.9
85.10175	19.4
86.09721	1.9
91.03957	13.5
93.07045	1.5
95.04955	1.1
95.08609	24.7
97.02890	8.9
97.10172	7.4
97.40804	1.0
98.85328	1.1
99.04447	1.5
99.11749	1.1
105.07021	1.4
107.08560	1.6
109.10160	13.0
111.11728	3.3
123.11687	5.2
124.99968	1.3
125.14219	1.2
127.03905	5.2
128.87405	1.0
133.10121	1.5
136.06157	1.7
137.13280	1.7
145.04956	6.9
149.69116	1.0
163.06015	11.7
183.26472	1.1
184.07338	9.9
249.25639	1.2
267.26801	18.6
268.26910	1.8
285.27835	2.1
341.30505	100.0
342.30927	3.7
359.31552	48.7
360.31628	1.4
375.63019	1.2
700.45020	7.9
701.45807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03576	0.2
69.90943	1.0
69.91353	0.4
91.05472	0.2
91.60338	0.2
93.07018	0.3
95.08609	0.3
98.21484	0.3
103.44465	0.2
105.07010	0.3
107.08599	0.2
129.60240	0.2
163.03926	0.4
185.04263	0.8
259.07965	0.6
271.70804	0.2
301.20148	0.4
330.24268	0.2
330.77203	0.2
342.77640	0.2
347.09491	1.0
397.25693	0.2
537.30334	23.3
538.30499	1.1
563.67346	0.3
595.38971	0.3
699.35559	100.0
700.35907	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	699.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
54.75947	0.5
55.05516	1.7
57.03433	1.5
57.07070	3.7
59.04999	1.1
60.65562	0.5
61.02925	0.7
65.03954	1.0
65.20534	0.5
67.05504	7.3
69.03426	2.9
69.07066	8.1
70.06590	2.7
71.04992	7.5
71.08604	0.7
73.02924	3.2
73.06554	1.7
74.94372	0.4
79.05495	6.4
81.03432	1.1
81.07055	100.0
83.08650	0.6
83.77598	0.5
85.02901	4.3
85.06524	0.7
86.09685	0.6
89.03897	0.9
89.36799	0.5
91.05482	2.3
93.07034	8.7
95.04984	1.0
95.08606	44.1
97.02892	5.8
97.06521	0.6
98.98466	4.1
103.03898	0.5
103.05458	2.3
105.07092	0.5
107.08601	7.3
109.02879	0.7
109.06525	0.7
109.10165	3.6
115.03909	3.7
117.03394	0.8
119.04928	0.9
121.06512	0.5
127.03912	3.1
131.04922	3.5
133.04951	1.9
135.04430	1.3
135.11685	13.0
137.05986	1.5
137.13252	62.1
138.13603	1.2
145.04945	0.7
147.04343	0.9
149.05952	1.1
153.12744	66.1
154.13046	0.9
156.96416	0.5
161.05956	0.9
163.03928	5.5
163.06007	0.5
163.07536	2.2
167.07057	1.5
168.07344	0.6
171.13838	2.0
177.05510	1.9
179.06996	0.6
190.96272	0.5
207.06502	0.6
209.08142	2.3
235.10941	31.1
259.08148	0.9
295.10327	1.0
315.17636	0.6
394.66098	0.5
555.38928	0.5
640.12128	0.6
710.66864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01870	0.4
57.03429	0.7
61.02922	0.9
61.16563	0.1
63.02379	0.3
67.01855	0.7
67.66292	0.2
69.03429	3.8
70.06599	0.8
70.53362	0.5
71.04985	0.9
73.02902	0.5
74.06072	0.2
79.05492	0.7
81.03418	4.6
84.08153	0.3
85.02906	6.8
86.09712	0.3
87.00830	0.7
87.04465	0.3
89.03915	3.4
91.03954	0.5
91.05472	0.3
93.07023	0.2
95.04974	0.4
97.02892	6.8
97.04741	0.2
99.04440	1.6
101.07174	0.2
103.05434	0.2
104.58814	0.2
105.01856	0.7
105.07013	0.2
107.04947	1.3
109.02881	8.2
117.03376	4.2
121.06458	0.2
123.04491	0.3
127.03914	48.1
129.10237	0.3
131.04942	0.5
135.04413	12.2
136.04706	0.3
137.02347	0.2
137.05974	0.3
145.02849	9.8
145.04877	1.8
147.04390	0.7
148.04782	0.2
151.03978	0.2
159.02914	0.4
161.05988	0.3
163.03900	100.0
164.04213	1.0
177.05450	0.3
181.04950	3.9
181.06514	0.3
186.05510	0.5
187.03941	0.3
201.05437	0.2
207.02885	0.2
213.03931	1.1
214.11797	0.2
225.05466	0.3
227.07018	0.3
229.04950	0.2
231.04973	0.9
240.59410	0.2
243.06458	0.4
245.07916	0.2
247.05975	0.8
271.06006	0.5
289.06906	0.4
295.31161	0.2
303.05002	0.8
307.08118	1.6
325.09256	0.9
377.01721	0.4
393.08078	0.9
395.02701	0.3
411.09210	6.2
429.09995	0.3
573.14508	17.4
574.14435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.1
51.02368	0.1
53.03941	0.5
54.18425	0.1
55.01873	0.1
57.03427	0.1
62.01602	0.1
63.02345	0.4
63.02649	0.1
65.03950	0.1
66.75833	0.1
67.01863	0.1
67.05488	0.1
68.99786	0.2
69.03429	0.4
70.06574	0.1
71.04980	0.2
71.14335	0.1
71.14716	0.1
77.03960	0.1
79.05494	1.0
81.03413	3.4
85.02896	0.4
86.09625	0.1
87.00833	0.6
89.03909	6.2
91.05492	0.2
93.07022	0.1
95.04960	0.4
97.02885	19.4
98.03213	0.2
99.04427	0.4
100.11230	0.1
102.25882	0.1
103.05444	0.1
105.01859	0.2
105.03336	0.1
105.07024	0.2
107.04950	2.3
107.08567	0.1
109.02873	6.7
111.04468	0.1
115.05434	0.1
117.03371	6.6
117.06966	0.1
118.03656	0.1
119.04888	0.1
119.08612	0.1
121.02873	0.1
123.04418	0.4
125.02354	1.1
127.03908	27.8
128.04251	0.3
128.06200	0.1
129.07025	0.1
131.04933	0.1
133.02740	0.2
135.04407	16.7
136.04774	0.2
137.02357	0.4
137.05981	0.1
141.06967	0.1
145.02837	11.2
145.04895	0.3
146.03159	0.2
147.04356	0.3
149.05968	0.2
151.03879	0.2
152.06233	0.1
153.01732	0.1
153.06992	0.5
154.97243	0.1
157.06494	0.1
158.06041	0.1
161.02386	0.1
161.06009	0.2
163.03893	100.0
164.04237	1.4
165.05493	0.1
167.06981	0.1
168.06602	0.1
169.06482	0.2
170.36127	0.1
171.07959	0.1
173.05948	0.3
175.03799	0.2
175.07579	0.2
177.05518	0.1
181.04942	1.8
181.06487	1.0
183.04266	0.1
185.05914	0.2
186.05472	0.5
187.07581	0.1
189.01817	0.2
189.05505	0.4
192.98874	0.1
197.05957	0.4
199.07521	0.4
201.05434	0.4
203.07048	0.2
205.05116	0.1
207.02881	0.5
209.06015	0.5
213.03903	1.2
213.05627	0.1
215.07031	0.4
217.08537	0.2
219.06555	0.1
225.05421	0.4
227.07002	1.8
229.04932	0.4
231.04927	0.2
243.06561	0.7
243.43547	0.1
245.08144	0.5
247.05971	0.8
250.29768	0.1
253.04967	0.4
271.05991	2.4
289.07037	0.9
307.08151	0.2
335.24240	0.1
335.28387	0.1
351.65341	0.1
357.05731	0.1
375.06961	0.3
393.08344	0.5
411.09213	5.1
412.09604	0.1
463.31064	0.1
467.21677	0.1
537.12177	0.3
538.41425	0.1
573.12384	2.9
574.12335	0.1
620.05432	0.1
653.89386	0.1
698.48315	0.6
698.98700	0.6
699.47974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75100	0.6
53.03928	1.0
55.01860	1.7
55.05263	0.7
55.05513	12.1
57.03428	2.1
57.07075	27.0
59.04992	2.5
62.06093	0.9
65.03932	1.3
67.05505	58.3
69.03432	1.0
69.07065	8.5
70.06579	0.7
71.04984	2.5
71.08629	20.6
71.59406	1.0
79.05491	5.4
79.05917	0.9
81.03413	1.4
81.07054	21.2
83.04974	1.9
83.08614	11.7
85.02908	1.4
85.06535	2.4
85.10188	12.4
87.04450	0.8
91.05476	5.9
91.15096	0.6
93.07030	5.3
95.04964	1.8
95.08605	23.4
97.06512	0.6
97.10168	6.5
98.98473	2.0
99.11710	0.8
105.07046	1.2
105.84293	0.7
107.08603	3.1
109.10155	52.4
110.06063	0.7
110.10511	1.0
111.08091	2.0
111.11703	1.0
119.08575	5.8
119.71612	0.6
121.06478	0.7
121.10139	2.3
123.11685	3.9
124.01585	1.5
125.09621	2.6
127.11206	1.0
131.08574	0.7
135.11673	1.3
137.09625	2.3
137.13263	0.8
145.10110	1.5
155.01030	2.4
155.10681	1.3
163.11198	2.0
171.06506	0.8
173.11745	10.8
173.13159	1.1
180.13788	1.3
181.12279	0.7
184.07301	1.0
198.14888	8.2
199.13348	1.1
209.11710	0.9
220.58476	0.6
227.12801	1.9
227.20047	2.8
229.14368	4.6
239.23758	3.7
245.13879	2.6
282.27945	3.9
285.27570	0.7
301.16476	1.1
313.27310	9.0
331.65067	0.7
352.15204	1.2
360.80811	0.6
367.28366	0.8
393.23947	1.0
403.09052	0.7
424.17096	0.8
437.36203	1.1
454.29129	0.8
455.37289	1.1
467.37329	100.0
468.37775	6.3
513.37823	2.1
521.38184	0.9
526.63495	0.8
539.39362	5.8
557.40491	60.5
558.40918	4.4
590.38135	6.9
608.39154	2.5
662.40344	9.9
698.42456	3.7
699.43658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01870	1.7
55.05501	2.6
57.03419	1.5
57.07067	0.4
59.04985	1.1
61.02914	0.6
61.14714	0.4
65.03947	1.0
67.05498	6.9
69.03423	6.3
69.07062	4.1
71.04986	2.4
73.02885	1.2
78.26413	0.4
79.05485	4.0
81.03413	5.3
81.07053	8.4
83.04962	1.6
83.08613	2.5
85.02899	11.1
85.06527	2.7
87.00829	5.2
91.05473	5.1
93.06467	0.5
93.07034	7.7
95.04984	2.2
95.08602	13.4
97.02886	7.0
97.06515	2.8
97.10159	1.2
99.04449	12.4
99.08093	0.3
103.05416	0.5
105.01846	4.2
105.07018	10.4
107.04945	1.1
107.08587	12.7
109.02872	6.5
109.06514	1.8
109.10152	12.7
111.04437	7.9
111.08065	3.3
113.09624	0.5
117.01840	0.8
117.05457	0.6
117.07004	2.5
119.04910	0.3
119.08572	21.3
121.06535	1.9
121.10139	8.6
123.04424	0.5
123.08076	2.5
123.11700	3.5
125.05953	1.4
125.09601	0.7
127.03906	10.1
128.06187	0.5
129.01836	0.5
129.05469	0.4
129.06993	1.4
130.88062	0.4
131.04910	0.4
131.08582	3.9
133.06448	0.7
133.10124	13.3
135.08035	4.3
135.11685	4.3
137.05988	1.1
137.09593	4.8
137.13251	0.5
139.07565	1.2
139.11124	0.5
141.06940	0.8
141.09076	0.4
142.07809	0.8
143.08559	3.3
145.04944	2.7
145.06372	0.6
145.10127	8.0
147.02869	0.4
147.08040	1.9
147.10515	0.6
147.11679	8.5
149.06032	0.6
149.09604	1.7
149.13219	1.7
151.07516	1.2
151.11180	3.3
153.06934	0.3
153.09091	1.0
155.08583	1.9
156.09343	0.9
157.10124	4.9
159.02887	2.2
159.08052	1.2
159.11684	8.5
161.09589	1.8
161.13239	4.3
163.03914	1.5
163.07524	0.6
163.11154	1.3
163.14821	4.1
165.09145	1.9
165.12714	1.0
167.07059	0.6
167.08492	0.5
167.10648	0.4
169.10181	2.5
170.10867	0.5
171.11668	3.8
173.09621	1.7
173.13249	4.2
175.11183	1.1
175.14799	1.6
177.09138	0.7
177.12724	1.0
177.16435	0.5
178.29337	0.4
179.10634	0.9
179.14383	0.5
181.10098	0.7
181.12231	1.1
182.10919	0.6
183.08015	0.6
183.11652	3.8
184.12402	0.5
185.09669	1.2
185.13257	2.4
187.11180	2.6
187.14828	2.4
189.12697	1.0
189.16354	2.0
191.10660	1.4
193.12213	1.0
195.11679	1.0
197.09624	0.5
197.13234	3.3
199.11110	1.5
199.14845	2.3
201.09052	0.7
201.12729	1.7
201.16386	2.5
203.10632	1.1
203.14256	0.5
205.12183	2.1
205.15833	1.9
207.11752	0.5
207.17523	0.5
209.13309	0.6
211.11186	0.9
211.14819	1.7
213.03937	1.1
213.12709	1.4
213.16249	1.8
215.10777	1.2
215.14342	0.9
215.17911	1.2
217.12254	1.6
219.10258	0.6
219.13847	1.2
221.13255	0.4
221.59863	0.4
223.69360	0.4
225.12753	1.7
225.16367	0.7
227.14253	1.1
227.17986	0.7
229.12207	2.8
229.15839	0.5
229.19452	1.1
231.05019	2.8
231.13687	0.7
233.15402	0.7
237.16306	1.1
239.14278	1.1
239.17957	2.7
241.16017	0.6
243.13814	2.7
243.21175	0.6
245.15417	1.6
247.13414	0.6
249.05989	0.9
253.15674	0.5
253.19469	2.8
255.17377	0.8
255.20850	0.6
257.15231	0.8
257.19003	3.6
259.16895	0.7
271.17184	0.4
271.20578	2.6
273.18405	0.9
275.20020	4.0
281.18982	4.3
289.21719	1.0
299.20041	31.6
310.21194	0.4
317.21097	100.0
318.21396	1.3
335.22064	3.6
477.17230	0.8
561.87335	0.5
698.33368	0.6
699.28906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58626	1.6
53.03947	11.0
55.01871	13.5
55.05507	5.6
57.03432	7.7
57.07073	1.8
58.82597	1.4
61.02935	7.9
67.05507	12.7
68.99787	4.4
69.03071	3.1
69.03427	36.9
69.07058	6.4
70.06607	1.8
71.04987	8.6
71.59644	2.3
73.02917	13.2
79.05495	6.6
79.99116	1.4
81.03414	37.0
81.07060	18.3
83.01327	1.8
83.04964	1.6
83.08617	3.6
85.02905	97.8
87.00830	34.8
91.03947	3.9
91.05481	5.4
93.07048	16.5
93.55863	1.4
95.04977	6.9
95.08607	76.5
97.02890	55.4
97.10159	2.9
99.04451	22.5
105.01862	34.0
105.07034	13.9
107.04980	2.1
107.08585	24.0
108.04468	4.9
109.02879	45.1
109.06503	2.0
109.10160	24.4
113.02374	2.8
117.01855	5.7
117.07055	2.4
119.08588	27.9
121.10145	18.0
123.10939	1.6
123.11653	8.8
125.06017	2.2
125.09747	2.0
127.03913	81.0
129.01869	5.1
129.07062	1.7
131.08582	4.9
133.10129	23.4
135.04428	3.2
135.11687	21.9
137.06033	2.3
137.13249	3.4
145.02945	2.1
145.04955	38.5
145.10126	13.3
147.02879	3.9
147.11708	15.0
149.13295	8.8
153.12848	1.9
157.10165	3.3
158.10692	1.9
159.02873	28.4
159.11707	14.3
161.09625	2.2
161.13239	14.6
163.03920	14.1
163.14847	5.6
164.04216	4.2
171.11685	3.8
173.13263	13.5
175.11212	2.1
175.14803	5.3
177.04002	2.4
177.12761	3.3
177.16438	2.1
181.12308	2.6
183.11555	1.9
185.13345	3.0
187.14854	18.5
189.12683	2.9
189.16383	4.6
197.13264	3.0
201.16345	9.3
203.14264	2.4
203.17946	30.6
207.13829	6.0
209.23323	1.7
211.14801	3.6
212.87459	1.5
213.03976	6.1
213.16077	1.7
215.14349	3.5
215.17929	3.2
219.14003	1.9
221.15370	2.7
229.15813	2.2
229.19707	2.1
231.05031	17.6
233.15344	4.2
241.19617	1.8
243.21109	4.3
248.07742	4.0
257.22629	43.5
259.24127	2.2
266.08966	1.6
267.21161	7.0
284.20969	1.6
285.22144	29.0
301.21793	2.4
303.23184	100.0
433.25818	5.5
515.26031	2.2
533.27283	13.3
635.85382	1.6
663.29858	2.9
698.29803	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	698.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58626	1.6
53.03947	11.0
55.01871	13.5
55.05507	5.6
57.03432	7.7
57.07073	1.8
58.82597	1.4
61.02935	7.9
67.05507	12.7
68.99787	4.4
69.03071	3.1
69.03427	36.9
69.07058	6.4
70.06607	1.8
71.04987	8.6
71.59644	2.3
73.02917	13.2
79.05495	6.6
79.99116	1.4
81.03414	37.0
81.07060	18.3
83.01327	1.8
83.04964	1.6
83.08617	3.6
85.02905	97.8
87.00830	34.8
91.03947	3.9
91.05481	5.4
93.07048	16.5
93.55863	1.4
95.04977	6.9
95.08607	76.5
97.02890	55.4
97.10159	2.9
99.04451	22.5
105.01862	34.0
105.07034	13.9
107.04980	2.1
107.08585	24.0
108.04468	4.9
109.02879	45.1
109.06503	2.0
109.10160	24.4
113.02374	2.8
117.01855	5.7
117.07055	2.4
119.08588	27.9
121.10145	18.0
123.10939	1.6
123.11653	8.8
125.06017	2.2
125.09747	2.0
127.03913	81.0
129.01869	5.1
129.07062	1.7
131.08582	4.9
133.10129	23.4
135.04428	3.2
135.11687	21.9
137.06033	2.3
137.13249	3.4
145.02945	2.1
145.04955	38.5
145.10126	13.3
147.02879	3.9
147.11708	15.0
149.13295	8.8
153.12848	1.9
157.10165	3.3
158.10692	1.9
159.02873	28.4
159.11707	14.3
161.09625	2.2
161.13239	14.6
163.03920	14.1
163.14847	5.6
164.04216	4.2
171.11685	3.8
173.13263	13.5
175.11212	2.1
175.14803	5.3
177.04002	2.4
177.12761	3.3
177.16438	2.1
181.12308	2.6
183.11555	1.9
185.13345	3.0
187.14854	18.5
189.12683	2.9
189.16383	4.6
197.13264	3.0
201.16345	9.3
203.14264	2.4
203.17946	30.6
207.13829	6.0
209.23323	1.7
211.14801	3.6
212.87459	1.5
213.03976	6.1
213.16077	1.7
215.14349	3.5
215.17929	3.2
219.14003	1.9
221.15370	2.7
229.15813	2.2
229.19707	2.1
231.05031	17.6
233.15344	4.2
241.19617	1.8
243.21109	4.3
248.07742	4.0
257.22629	43.5
259.24127	2.2
266.08966	1.6
267.21161	7.0
284.20969	1.6
285.22144	29.0
301.21793	2.4
303.23184	100.0
433.25818	5.5
515.26031	2.2
533.27283	13.3
635.85382	1.6
663.29858	2.9
698.29803	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	697.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90237	0.2
53.03951	0.2
55.01870	0.7
55.05508	0.8
56.05041	0.5
57.03443	0.3
57.82073	0.2
59.05005	0.4
59.06125	4.2
60.04524	1.3
61.96598	0.2
63.25026	0.2
65.03947	0.3
67.05509	1.2
69.03431	3.3
69.07059	0.5
70.91738	0.5
70.92083	0.4
71.04987	0.3
71.65028	0.2
79.05489	2.5
81.03440	0.2
81.07054	4.6
83.04976	0.9
83.08608	0.4
85.06525	0.3
86.09698	0.6
91.05470	4.0
93.07036	5.1
95.04960	0.9
95.08602	2.9
97.02891	6.2
97.03513	0.4
97.06540	0.6
97.10155	0.3
99.04444	0.3
100.22718	0.2
101.07140	11.6
102.05513	0.5
105.07023	6.9
107.04930	0.9
107.07861	0.5
107.08591	9.4
107.14037	0.2
109.02873	0.3
109.06507	2.9
109.10163	1.7
111.04450	0.9
111.08086	2.9
113.05980	1.1
115.03963	0.4
117.07037	0.7
118.83529	0.2
119.04941	0.4
119.08580	18.3
121.06514	1.4
121.10145	4.9
123.04437	0.4
123.08059	4.7
123.11710	1.6
124.08860	0.5
124.99969	0.3
125.09623	100.0
126.09943	1.0
127.03911	0.4
129.07018	0.4
131.08531	0.4
133.06505	0.8
133.10124	14.7
135.08058	0.5
135.11674	1.7
137.05981	0.9
137.09599	2.8
143.08536	2.1
145.06546	0.3
145.10126	1.0
146.07245	0.4
147.08038	9.7
147.09221	0.5
148.08746	0.3
149.06009	0.5
151.07526	0.6
151.11189	1.9
157.10168	0.5
161.09610	8.7
163.03920	0.4
163.07541	0.6
163.11208	1.0
165.09111	12.6
171.08040	0.5
175.11169	0.3
177.05431	1.3
179.10661	8.7
184.07338	0.9
185.07642	0.3
185.09534	0.4
185.13322	0.3
189.09097	8.2
192.78873	0.2
203.10747	0.7
207.10155	12.1
208.63486	0.3
219.13644	0.3
225.11208	30.8
226.11584	0.3
229.15924	0.5
243.12184	0.2
247.16920	0.5
253.15903	0.5
267.17383	0.2
271.16931	1.3
285.18445	0.8
289.17981	2.4
295.17017	0.7
303.19669	1.1
313.17929	2.0
331.19012	10.9
349.20078	29.6
350.20459	0.6
367.21155	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	697.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01863	0.7
55.05501	1.2
56.05046	0.4
57.03436	0.3
57.07067	0.2
58.84985	0.1
59.04980	0.4
59.06123	4.6
60.04531	1.3
65.03935	0.2
67.05503	1.6
69.03075	0.2
69.03428	3.5
69.07063	0.5
71.04983	0.4
71.16303	0.4
73.07635	0.2
75.39530	0.1
79.05492	2.5
81.03410	0.5
81.07052	4.7
83.04966	1.0
83.08604	0.5
84.04493	0.4
85.02909	0.2
85.06549	0.4
86.09692	0.3
89.03924	0.2
91.05471	4.1
93.06467	0.3
93.07040	5.4
95.04947	0.8
95.08041	0.3
95.08601	3.0
97.02891	6.6
97.06526	0.5
97.10167	0.2
99.04451	0.2
101.07136	10.7
102.05521	0.4
102.07490	0.2
103.05428	0.4
105.07027	7.8
106.07867	0.2
107.04972	0.9
107.08589	9.1
109.02850	0.4
109.06509	3.3
109.10161	1.9
111.04437	0.9
111.08082	2.5
113.05985	0.7
115.03927	0.3
115.05427	0.2
117.03331	0.2
117.07022	0.6
119.04939	0.4
119.08577	18.6
121.06532	1.3
121.10144	5.1
123.04417	0.5
123.08066	5.8
123.11714	1.5
124.08846	0.4
125.09624	100.0
126.09955	1.1
127.03905	0.5
128.06226	0.6
129.06984	0.3
129.09062	0.2
130.07774	0.3
131.04916	0.2
131.08546	0.5
133.06477	0.6
133.10124	14.3
134.10492	0.2
135.04422	0.2
135.08037	0.7
135.11674	1.9
137.05946	1.3
137.09608	2.4
139.07521	0.3
143.08546	2.5
145.02849	1.2
145.06465	0.5
145.10133	1.1
146.07263	0.4
147.04393	0.3
147.08038	9.5
147.11765	0.2
148.08545	0.2
149.05975	0.2
149.09566	0.4
151.03929	0.2
151.07553	0.7
151.10092	0.2
151.11188	2.1
157.10135	0.6
159.08009	0.2
159.11700	0.3
161.05971	0.3
161.09615	10.2
162.09958	0.2
163.03801	0.2
163.07506	0.6
163.11203	1.5
165.09111	12.7
166.09480	0.3
167.07060	0.5
169.10202	0.2
171.08060	0.5
171.11642	0.3
173.09659	0.2
173.13272	0.2
175.07593	0.2
175.11143	0.3
177.05469	2.9
177.09106	0.2
179.10664	8.0
183.11655	0.2
184.07310	0.3
185.09554	0.2
185.13283	0.2
187.14853	0.3
189.09100	7.6
191.03543	0.2
197.08032	0.2
203.10681	0.5
207.10155	12.1
208.10730	0.2
209.11746	0.2
211.11066	0.1
211.14798	0.2
221.11559	0.2
225.11205	29.2
226.11505	0.2
229.15889	0.3
243.12265	0.3
243.17671	0.2
247.16917	0.4
253.15883	0.5
261.11014	0.2
266.13910	0.4
267.17511	0.4
269.18951	0.2
271.16925	1.1
285.18454	1.0
289.17981	2.2
295.16821	0.6
303.19623	0.7
313.17963	1.9
321.09625	0.2
331.19025	11.8
332.19125	0.3
339.10614	0.2
349.20074	28.9
350.20413	0.4
367.21097	2.7
390.22659	0.4
597.85693	0.2
697.25690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
53.78227	0.3
55.01867	0.6
55.05510	1.0
57.03433	1.9
61.02930	3.6
67.05511	1.7
69.03432	2.9
69.07076	0.7
69.83067	0.7
69.83475	0.8
71.01358	0.3
71.04995	0.6
73.02916	3.1
79.05495	2.1
81.03419	5.0
81.07063	3.2
83.04978	1.7
83.08631	1.8
85.02905	7.1
85.06532	0.3
87.04466	0.4
91.03953	2.5
91.05478	3.3
93.07035	1.7
95.04969	2.2
95.08602	1.8
97.02903	4.3
97.06519	0.7
97.10152	0.3
99.04467	1.0
101.02386	1.6
103.03946	0.5
104.10799	0.3
105.07026	2.1
107.04950	0.9
107.08617	1.0
109.02876	1.2
109.06544	0.6
109.10171	0.6
111.04441	0.9
111.08089	1.1
113.06006	0.4
115.03941	0.5
119.08583	2.4
120.23914	0.3
121.10164	1.1
123.08120	0.4
123.11667	0.3
125.09626	0.6
127.03942	1.7
129.05515	0.4
129.06987	1.2
131.08571	1.4
133.10129	1.6
135.08060	0.3
135.11784	0.3
137.06004	0.3
137.09602	0.3
145.02827	0.3
147.04396	0.3
147.08067	0.3
147.11710	2.1
149.09615	0.6
157.10150	1.6
175.11206	1.3
177.05511	0.5
184.07344	0.3
185.04306	0.6
193.12245	3.0
203.05257	0.3
211.13286	1.2
243.08388	2.3
251.12567	2.4
285.16968	0.5
307.15237	1.0
388.19516	0.3
435.63284	0.2
445.63525	0.3
469.20456	13.4
535.29193	0.3
697.34021	100.0
698.34265	3.7
724.60931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35505	0.9
53.03962	1.0
54.54334	0.8
55.05515	10.3
57.03440	4.3
57.07082	7.5
61.02930	16.1
62.57281	0.9
65.03936	1.0
67.05508	41.7
69.03421	2.9
69.07072	14.2
70.49438	2.2
70.49854	1.6
71.04987	1.4
71.08637	3.6
73.02921	7.0
79.05499	11.8
81.07059	58.7
83.08624	14.6
85.02911	25.0
85.06539	1.8
85.10189	1.7
91.03963	23.4
91.05477	9.1
93.07043	16.0
95.08610	47.0
97.02902	10.7
97.06558	4.9
97.10167	9.3
99.04452	2.0
99.08097	3.7
105.07030	6.2
107.08607	12.2
109.02892	1.3
109.10159	28.2
111.08086	3.5
111.11723	2.1
112.89613	1.0
113.09666	1.9
115.03941	1.3
119.08585	8.8
121.10153	16.8
123.08064	1.2
123.11717	15.2
127.03934	8.5
133.10129	11.5
135.11697	9.1
137.13266	5.9
139.14833	1.1
141.12755	2.7
145.04961	12.1
147.11708	7.2
148.45039	0.8
149.13245	7.4
151.11206	2.0
151.14809	4.7
155.14342	2.5
161.13271	9.6
163.06017	20.7
163.14850	7.7
165.12724	1.7
165.16405	8.4
167.14337	1.3
175.14850	8.1
177.16367	1.8
179.17924	7.1
181.15872	0.9
189.16431	4.7
193.15897	1.3
203.18037	1.4
217.19496	1.2
230.95982	0.8
245.22659	57.1
246.22948	1.2
263.23721	100.0
264.24014	1.8
265.25333	2.1
281.24878	2.9
337.27380	43.4
338.27841	1.3
355.28430	13.5
494.72156	1.0
499.32895	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01872	2.0
55.05509	16.1
57.03436	6.9
57.07071	10.0
59.04984	0.6
61.02924	25.4
62.24965	0.5
65.03928	1.3
67.05500	62.3
69.03408	2.9
69.07063	24.5
69.58869	1.1
69.59277	3.5
71.04976	1.9
71.08626	6.0
73.02505	0.6
73.02917	10.3
73.57106	0.6
75.04476	1.3
79.05491	18.0
80.76074	0.6
81.03403	1.5
81.07053	81.9
82.07380	0.6
83.04967	1.6
83.08617	19.7
85.02901	29.0
85.06534	2.9
85.10183	2.8
91.03953	24.7
91.04527	1.3
91.05474	12.0
93.07042	21.8
93.07627	1.2
95.04972	1.8
95.08602	72.7
97.02892	12.0
97.06532	6.8
97.09532	0.9
97.10163	12.5
99.04435	1.6
99.08094	3.8
103.03933	0.8
105.07027	10.4
107.08588	16.1
107.09293	1.1
109.02860	1.1
109.06499	0.6
109.10153	35.8
111.08080	4.0
111.11709	4.5
113.09641	1.6
115.03923	1.7
119.08576	10.9
121.10142	20.4
123.08077	1.3
123.11707	17.8
125.09611	2.1
125.13281	1.3
125.98354	0.5
127.03919	9.4
127.11166	2.0
131.08566	1.1
133.10129	16.1
134.71979	0.5
135.11684	10.9
137.09602	1.9
137.13239	8.2
139.11157	2.0
139.14752	0.7
141.12726	3.6
145.04955	12.3
147.11674	12.0
149.13243	11.0
151.11156	1.6
151.14792	6.9
153.12692	1.2
155.14316	3.0
161.13242	14.8
163.06012	19.3
163.14816	11.1
165.12766	1.4
165.16386	9.3
167.14372	1.6
167.17868	0.9
175.14810	10.6
177.16400	2.3
179.14322	1.4
179.17906	6.5
181.15901	1.8
184.07385	1.3
189.16365	5.8
193.15843	0.8
203.17990	1.8
207.17435	1.0
211.16902	1.2
217.19528	1.9
219.20992	0.7
225.18240	0.5
245.22641	66.0
247.24339	0.7
263.23688	100.0
264.24002	1.2
265.25284	1.9
281.24722	2.8
337.27347	69.5
338.27557	0.9
355.28391	20.8
499.32602	6.2
661.37097	0.8
681.39941	0.6
699.62811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
53.71100	0.6
55.05516	5.1
55.05744	1.0
57.07079	5.4
64.92268	0.7
67.05505	8.6
69.03428	3.7
69.07068	14.6
70.06616	1.0
71.05016	0.9
71.08627	1.6
71.59328	1.0
76.28843	0.7
79.05482	5.3
81.03419	1.1
81.07059	100.0
82.07397	1.0
83.08628	4.7
85.02907	6.5
85.06539	1.2
86.09708	0.8
87.00836	1.5
91.05486	2.3
93.07053	4.7
95.04979	0.9
95.08609	49.8
97.02892	5.0
97.10178	2.5
98.98470	4.4
99.04445	1.2
99.08105	9.0
100.11265	3.2
103.05485	0.9
105.01870	5.2
105.07047	1.7
107.08594	14.5
109.02883	2.2
109.10161	6.7
111.04440	1.0
111.08107	3.7
113.09666	0.7
115.03910	1.0
119.04954	1.1
119.08644	0.7
121.10149	24.1
123.11684	1.1
125.09647	2.7
127.03923	5.0
131.04895	1.0
133.05022	1.0
133.10187	1.2
135.11671	5.2
137.06021	1.0
137.13263	53.4
138.13577	1.3
141.01910	0.9
145.04980	2.2
147.04417	4.4
149.13307	1.7
157.05194	0.7
159.03116	0.7
163.03938	0.9
167.06996	1.0
177.05507	1.7
177.16394	67.1
178.16756	1.3
182.15427	3.5
195.17448	20.3
209.16519	1.1
210.14926	1.7
213.18503	22.0
231.05113	2.3
235.10963	9.4
249.06035	1.6
273.06693	0.8
347.09497	1.4
357.76721	0.8
359.23431	1.8
452.51099	0.8
475.17822	1.8
677.49316	3.1
695.28363	2.9
695.50146	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	695.3246
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03943	0.6
54.96981	0.2
55.01870	0.7
55.05523	1.0
57.03439	1.5
59.04970	0.2
61.02927	4.0
65.91475	0.2
67.05502	1.7
69.03433	2.8
69.07070	0.9
70.64313	0.4
71.01364	0.3
71.04987	1.0
73.02922	3.2
79.05499	2.0
81.03419	3.9
81.07058	2.2
83.01338	0.5
83.04990	1.7
83.08627	1.6
85.02904	6.5
87.04446	0.5
88.59353	0.2
91.03957	2.7
91.05483	2.5
93.07050	2.0
95.04973	1.7
95.08619	1.2
97.02889	3.8
97.06533	0.8
98.20811	0.3
99.04455	1.0
101.02374	1.6
105.07026	1.5
107.04964	0.7
107.08602	1.2
109.02888	0.8
109.06542	0.6
109.10173	0.6
111.03779	0.2
111.04425	1.2
111.08112	0.5
115.03983	0.3
117.07041	0.7
119.08578	2.1
121.06530	0.2
121.10116	1.3
123.08081	0.7
125.06112	0.2
127.03926	1.6
129.05519	0.3
129.07014	0.7
131.08597	0.9
133.06509	0.3
133.10121	1.5
135.11716	0.7
137.09619	0.2
143.08575	0.3
145.05031	0.5
145.10092	1.1
147.04492	0.3
147.08017	0.4
147.11684	1.3
149.09666	0.7
155.08684	0.2
157.10158	1.0
161.09663	0.2
163.03978	0.3
163.11183	1.6
165.12727	0.2
175.11214	0.8
181.12187	0.2
185.04224	0.7
189.16203	0.2
193.12276	1.3
203.05553	0.4
209.11700	0.3
211.13310	0.6
219.06523	0.3
243.08415	2.0
249.11017	0.5
251.12611	1.0
271.81412	0.2
283.15405	0.6
305.13724	0.2
307.15326	0.6
369.24435	0.3
389.20328	0.2
422.26663	0.2
467.18854	5.0
469.20465	7.4
470.21387	0.3
483.65140	0.2
498.30396	0.2
533.27161	0.3
654.40338	0.2
684.23004	0.2
695.32458	100.0
696.32898	5.6
696.44867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
60.04819	0.2
66.63811	0.2
67.05487	0.4
69.07039	0.5
70.06603	0.2
70.37852	0.7
81.07027	0.6
86.06032	0.2
94.06549	0.3
95.04964	0.5
95.08611	0.2
96.84784	0.2
97.02827	0.2
98.06013	0.2
105.06985	0.2
105.25832	0.2
108.04483	2.9
108.08096	0.3
120.04418	0.2
122.06001	0.9
136.07588	1.1
137.13266	0.3
138.05476	0.6
140.07063	1.2
146.06023	1.8
147.04404	0.4
147.06741	0.2
148.03844	0.4
148.07547	0.9
150.05435	0.5
164.07074	0.5
166.05020	0.7
168.06567	4.3
170.09682	0.2
174.05548	0.9
177.05571	0.2
196.07703	0.2
196.11319	0.3
197.10567	0.2
198.09325	0.2
199.08714	1.4
204.06534	0.6
206.08148	1.8
210.07788	0.3
210.11382	0.2
211.08676	5.5
211.12236	0.7
212.09406	1.8
213.10245	2.1
214.10965	0.3
221.10771	1.0
222.09201	1.0
223.08673	0.8
223.12265	0.4
224.09042	0.4
224.10689	1.5
225.10225	4.9
226.07347	0.6
226.10968	1.0
227.08139	1.8
227.11798	0.6
228.08778	0.3
236.09390	0.2
237.10219	0.3
238.10931	0.4
239.08232	0.9
239.11800	7.9
240.06645	0.2
240.08620	1.0
240.12471	0.9
241.09741	2.7
241.13344	0.8
242.10493	1.4
249.10115	0.9
250.08574	1.2
250.10849	0.3
251.08162	1.1
251.11850	0.4
252.09065	1.1
253.09718	5.4
254.10487	0.8
255.11263	1.0
256.12091	0.3
257.12851	0.7
259.14471	0.4
267.07837	0.6
267.11301	11.6
268.08969	0.3
268.12012	0.8
269.09402	0.5
269.12827	1.9
273.12152	0.4
278.08084	0.5
280.08578	0.4
281.09158	0.4
283.10742	0.7
284.11493	0.6
285.09207	0.3
285.12366	1.7
287.13968	0.5
295.10779	6.7
296.08978	0.4
297.12363	1.0
298.10538	0.4
299.10312	0.2
301.11911	0.4
303.13406	0.4
305.14871	2.1
313.11829	39.3
314.12186	1.3
315.13293	0.5
315.85193	0.2
323.10239	1.9
327.13510	0.4
341.11337	15.5
342.12100	2.9
355.12933	2.2
359.12418	4.9
360.12445	0.2
373.13956	100.0
374.14294	2.4
375.15445	0.7
583.25104	0.2
601.26703	0.2
609.22827	0.3
619.31873	0.2
627.24280	0.8
645.25488	2.2
659.27173	0.9
663.26648	0.5
677.27997	0.5
695.27380	0.2
715.20862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
55.05500	2.3
56.96537	0.9
65.03629	0.8
65.03938	4.1
67.05498	7.0
69.03427	5.5
69.83909	5.5
72.08170	1.0
77.44847	1.0
83.04987	15.7
85.02911	4.2
86.09690	1.1
89.03845	1.0
91.05468	2.3
93.03413	5.1
95.04965	9.8
97.02893	2.8
98.21400	1.5
107.04961	13.2
111.04449	25.7
115.05407	4.5
117.03388	1.6
117.07034	8.3
119.04937	3.3
121.02885	5.6
127.03909	1.0
128.06316	1.1
129.05467	9.2
129.10287	1.0
131.04939	2.7
133.06461	1.1
139.03894	10.3
143.04883	2.1
144.05676	2.0
145.02832	4.2
145.06482	7.1
146.03224	1.2
147.04414	9.3
147.06454	1.6
148.04712	2.3
152.06219	3.1
157.04982	7.0
157.10139	1.3
161.05995	3.4
163.03972	1.3
163.07597	1.5
165.06958	5.8
166.07718	4.5
167.08549	17.0
170.07277	1.2
171.04425	3.8
171.08127	1.9
175.06049	2.8
177.05484	10.5
177.07019	2.0
178.05872	3.6
178.07858	1.9
179.08527	2.0
181.06487	11.8
181.10080	8.7
182.07253	2.3
183.08058	34.1
185.09622	31.3
189.05493	7.9
191.08554	12.8
193.07043	2.1
193.10159	1.9
194.07285	15.4
195.06277	1.3
195.08067	26.2
196.08768	1.7
197.09619	26.8
199.07533	1.1
202.07791	1.4
203.08572	2.9
207.06454	2.5
207.08102	3.2
209.06000	74.6
209.09596	51.2
209.11292	1.2
210.06410	1.6
211.07521	3.3
211.11143	2.0
213.09109	61.9
214.09285	1.1
218.07306	2.0
219.08029	13.2
221.09607	6.4
223.07538	42.3
224.08253	1.8
225.09105	100.0
227.07028	2.5
232.36055	0.8
235.05981	2.7
237.09105	82.4
238.09561	2.2
239.10663	33.7
241.08595	27.9
241.12312	1.5
247.07561	4.6
249.09135	1.5
251.07018	6.0
255.10175	92.1
256.10522	1.1
265.08597	34.1
269.08093	39.1
283.09653	57.2
287.09192	1.5
293.08023	2.6
301.10681	19.8
311.09131	40.5
329.10181	17.5
349.02417	1.1
353.46765	0.8
391.10251	2.4
393.13318	5.8
397.12900	1.6
411.14441	9.3
421.12781	8.0
425.12323	4.2
439.13913	44.6
443.13437	8.9
457.14938	59.0
458.15482	1.0
459.16211	1.0
467.13266	4.8
485.14450	35.3
503.15488	11.3
617.18384	1.6
649.47821	1.0
659.19318	3.7
677.20111	2.9
695.25439	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	695.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01866	2.0
55.05507	3.7
65.03939	3.7
67.05502	6.0
68.99800	1.3
69.03434	6.3
69.46178	3.6
69.46615	3.4
70.06596	1.5
83.04983	15.5
85.02908	4.8
87.00842	1.0
91.05496	3.3
93.03393	5.2
95.01342	1.3
95.04980	10.2
95.08602	1.2
97.02898	2.1
103.05488	0.9
105.03363	1.0
105.07044	1.8
107.04964	18.6
109.10155	1.1
111.04450	22.5
115.05453	4.5
117.07028	14.3
119.04963	3.7
121.02880	12.9
123.04451	2.1
124.97778	1.1
127.03923	1.2
128.06223	1.6
129.05502	9.1
129.06993	1.5
131.04964	2.9
133.06572	2.1
135.04466	1.7
137.05981	1.1
139.03906	7.8
143.04945	3.1
144.05692	3.5
145.02789	1.4
145.06508	8.9
147.04416	15.1
147.06468	2.0
148.04761	3.1
152.06218	2.0
153.07056	1.1
157.04990	7.4
157.06233	1.2
157.10159	1.1
161.05989	3.6
163.03938	2.4
163.07571	1.5
165.06895	5.3
166.07759	4.5
167.08563	15.5
171.04443	4.3
171.08081	3.4
173.06018	2.4
175.03938	2.5
175.06020	1.7
177.05449	2.3
177.06992	2.7
178.07808	3.6
179.08560	3.9
181.06485	15.1
181.10118	10.4
182.07240	3.1
183.08054	37.9
185.09642	25.4
189.05458	10.8
190.07768	2.6
191.08572	16.4
193.07103	1.9
193.10123	1.8
194.07297	16.9
195.08076	39.0
196.08575	1.4
197.05956	1.0
197.09631	25.9
199.07555	4.7
202.07848	1.9
203.08585	3.7
207.06511	3.1
207.08122	3.8
209.06017	50.6
209.09608	56.7
210.06462	1.6
210.10039	1.7
211.07582	3.7
211.11247	2.8
213.09109	50.7
214.09433	1.3
217.04942	1.3
217.06917	1.1
218.07199	1.2
219.08066	17.0
220.08687	1.0
221.09607	10.3
222.06818	1.2
223.07544	52.9
224.08066	3.5
225.09109	87.4
226.09564	2.3
227.07016	1.9
229.07672	1.5
235.05931	4.1
237.09114	100.0
238.09570	3.5
239.10678	36.9
240.10875	1.4
241.08618	26.4
242.08980	0.9
247.07506	6.1
249.09309	1.3
251.07111	6.3
255.10181	87.4
256.10577	2.8
265.08612	44.9
266.09131	1.3
267.10168	1.4
269.08105	29.7
270.08472	1.4
283.09656	60.5
284.10013	1.8
287.08945	1.1
293.08176	5.7
300.97470	0.9
301.10696	23.3
311.09140	43.6
312.09482	1.3
329.10245	18.1
330.10349	1.1
391.10092	2.4
393.13391	6.7
397.12909	3.2
399.14252	1.7
409.11340	1.5
411.14456	6.8
421.12875	7.6
425.12183	2.6
429.15335	2.0
439.13907	49.7
440.14307	2.7
443.13339	9.3
444.13660	1.0
457.14957	60.0
458.15295	2.6
459.16833	1.2
467.13269	7.1
475.15964	1.1
485.14459	40.0
485.21512	2.0
486.15204	1.8
503.15436	9.5
536.73700	0.9
613.18707	1.3
617.18536	1.6
631.20453	2.0
641.18384	1.9
659.19733	8.1
677.20819	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	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	6.6
55.05515	34.8
57.03434	29.4
57.94108	5.3
61.02931	33.7
61.17263	4.9
67.05184	5.8
67.05507	87.4
69.03428	29.4
69.07076	30.3
69.57004	9.2
69.57403	42.3
70.99885	6.5
73.02919	17.1
75.04488	13.9
79.05489	68.3
81.03410	32.6
81.07057	92.8
83.04996	10.5
83.08606	14.9
85.02904	64.7
91.03947	54.2
91.05482	44.5
93.05518	76.6
93.07047	100.0
95.04963	18.4
95.08604	67.5
97.02883	48.3
97.06506	11.2
97.10160	5.7
99.04464	11.1
99.08044	5.6
105.07018	60.8
107.08591	55.7
109.02908	8.8
109.06495	17.4
109.10163	29.6
111.04454	14.3
111.08051	9.2
116.87737	6.1
117.07032	32.9
119.08597	57.8
121.06486	7.4
121.10127	47.4
123.04430	6.0
123.08105	9.1
123.11720	13.4
125.09599	7.3
127.03950	35.9
129.07010	16.6
130.07739	6.5
131.08528	42.1
133.06508	8.7
133.10121	38.6
135.08083	15.0
135.11679	25.3
143.08606	14.8
145.04955	25.1
145.10123	34.6
147.08003	7.6
147.11690	25.3
149.13272	12.7
151.07576	6.7
151.11191	8.2
155.08549	12.1
157.10153	12.0
159.11674	27.7
161.13222	16.6
163.03934	31.6
163.06013	59.0
169.10115	12.8
171.11639	15.8
173.13266	18.7
175.14902	8.5
181.10062	8.0
183.11729	11.5
185.13290	14.5
187.11105	6.7
187.14836	11.9
197.13326	7.9
199.11256	6.4
199.14885	12.5
255.10732	15.9
259.20593	14.1
261.22049	27.8
267.94180	5.8
271.20493	7.5
273.22043	9.0
277.21674	7.9
289.21555	8.2
301.21658	8.7
303.23193	12.1
315.23209	12.0
319.22473	8.4
327.23135	7.9
345.24036	7.3
351.23251	18.5
369.24271	64.3
387.25226	45.6
405.26434	91.5
416.23523	5.7
423.27448	38.5
695.29547	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	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59958	0.5
53.03941	1.4
55.01870	0.9
55.05260	0.7
55.05511	10.0
57.03444	4.8
57.07070	3.3
61.02924	28.1
65.03936	1.7
67.05503	62.9
68.05827	0.6
69.03426	4.0
69.07062	9.6
69.87886	3.1
71.04992	2.2
71.08614	0.9
73.02548	0.9
73.02917	10.1
74.65664	0.5
75.04467	0.6
79.05490	37.1
81.03426	1.6
81.07055	69.9
82.07402	0.7
83.04968	1.5
83.08610	7.0
85.02904	34.3
85.06536	2.4
91.03954	27.9
91.04874	1.2
91.05469	18.9
93.07042	52.7
95.04998	3.1
95.05537	0.5
95.08606	55.7
96.08941	0.6
97.02885	15.9
97.06528	3.5
97.10175	3.0
98.21472	1.0
99.04459	2.3
99.08093	3.0
105.04542	0.6
105.06348	0.4
105.07024	15.5
107.08591	34.8
109.02840	1.3
109.06512	1.7
109.10154	34.0
111.08073	2.1
111.11710	1.5
113.09622	1.4
115.03973	1.0
117.07021	8.4
118.02735	0.5
119.08581	14.6
121.10141	33.9
122.10444	0.6
123.08076	1.3
123.11713	16.7
125.09618	1.3
127.03915	11.3
127.11213	0.5
129.07036	0.6
131.08568	20.2
133.08546	0.6
133.10121	14.9
135.11685	28.4
136.11974	0.7
137.09636	2.3
137.13260	7.7
139.11143	1.3
145.04951	13.5
145.10117	15.5
147.11685	11.1
149.13257	23.7
151.11124	1.3
151.14812	1.9
153.12724	1.1
159.11687	13.8
161.13246	11.7
163.06012	21.8
163.11209	1.2
163.14821	17.0
165.12770	2.3
165.16357	0.5
167.14328	0.9
173.13264	16.2
175.14801	4.4
177.12779	1.4
177.16373	6.1
179.14302	2.7
187.14815	9.8
189.16397	1.0
191.14325	2.0
193.15958	0.6
201.16373	2.9
203.18022	0.7
204.08728	0.6
205.15915	2.1
215.17976	1.1
217.19519	0.7
219.17326	1.4
233.22704	3.5
243.21077	35.5
244.21402	0.9
245.22551	0.7
261.22134	100.0
262.22449	3.9
263.23810	2.5
279.23035	2.6
297.20773	0.8
317.24619	0.8
335.25800	19.6
336.25989	0.9
343.27197	0.5
353.26855	67.5
354.27240	3.1
405.26321	0.6
497.31134	1.3
599.34070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88461	0.8
53.03941	2.2
55.01862	1.4
55.05511	8.1
57.03437	6.5
57.07069	3.1
61.02925	27.1
65.03935	2.6
65.17326	0.9
67.05502	58.8
69.03435	4.6
69.07066	11.1
70.66009	2.8
71.04995	2.5
73.02918	10.0
75.04455	0.9
75.36049	0.8
77.86682	0.8
79.05489	31.6
81.03413	1.8
81.07055	72.5
82.07400	1.2
83.08614	6.6
85.02901	34.4
85.06539	3.1
87.04446	1.0
91.03953	27.6
91.04527	1.5
91.05476	17.5
93.07037	47.2
95.04964	2.7
95.08604	55.5
97.02887	17.5
97.06519	3.6
97.09573	0.9
97.10165	3.8
99.04449	1.8
99.08092	2.7
105.07026	13.5
107.07868	1.6
107.08594	31.5
109.06532	1.7
109.10153	35.7
111.08089	2.4
111.11715	1.3
113.09598	1.5
115.03876	1.0
117.05543	0.9
117.07000	7.2
119.08576	15.4
121.10145	30.7
121.11024	1.5
123.08056	1.5
123.11694	16.9
125.09632	1.9
127.03902	9.8
127.07587	1.0
131.07611	1.2
131.08562	15.8
133.10126	12.6
135.11693	26.0
137.09618	1.7
137.13258	6.6
139.11185	2.4
143.08577	1.0
145.04953	12.0
145.10115	13.8
147.11674	12.1
149.09547	1.0
149.13254	20.1
151.11203	1.8
151.14838	2.8
153.12729	0.8
159.11714	11.6
161.13261	10.4
163.06026	22.0
163.11215	1.4
163.14821	15.5
165.12769	2.4
173.13268	16.2
175.14827	3.7
177.12698	1.9
177.16325	4.7
179.14348	2.5
184.07350	1.3
187.14801	7.2
191.14175	1.0
201.16428	2.5
204.08678	1.4
205.15889	1.9
215.18013	1.1
217.19638	1.0
219.17474	1.6
223.49364	0.9
229.14362	0.9
233.19186	1.0
233.22588	3.5
243.21072	36.2
244.92213	0.8
261.22131	100.0
262.22534	3.0
263.23651	2.9
268.08432	0.9
279.20395	0.9
279.23056	4.6
297.20688	0.9
317.24759	2.1
335.25800	34.9
353.26855	67.5
354.27216	2.4
480.59937	0.9
497.30951	6.3
534.79266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03934	1.6
53.54895	0.3
55.01874	0.5
55.05503	0.9
56.96561	0.3
57.03424	0.6
60.62960	0.3
65.03922	0.6
67.05495	1.7
69.03426	4.2
69.07048	0.6
70.94371	0.3
71.04981	1.5
73.02903	0.5
78.04698	1.3
79.05495	2.8
81.03420	7.7
81.07063	3.5
83.01330	0.6
83.04963	1.4
83.08617	0.8
85.02886	1.4
86.09699	0.8
91.05482	4.1
93.07045	5.3
95.04956	1.9
95.08617	3.7
97.02892	9.9
97.06556	0.8
98.20666	0.5
99.04441	1.6
103.05493	0.4
105.03418	0.4
105.07025	5.6
106.04184	0.6
107.04947	1.1
107.08592	6.2
109.02884	37.7
109.06528	2.8
109.10163	2.6
111.04438	1.4
111.08064	2.2
115.05456	0.3
117.07085	0.4
119.04901	1.2
119.08589	12.3
121.06502	1.3
121.10146	4.8
121.45121	0.3
123.04427	4.2
123.08068	4.6
123.11703	1.4
124.05238	1.7
124.08876	0.8
125.09632	28.5
127.03919	28.2
128.06195	0.5
129.06981	0.5
131.08551	0.9
133.06458	0.9
133.10139	11.2
134.10512	0.4
135.08043	0.9
135.11688	1.8
137.05960	1.4
137.09637	1.6
140.04655	0.3
143.08549	1.8
145.04964	3.9
145.06271	0.6
145.10095	1.5
145.11169	0.3
146.07210	0.4
147.04436	3.0
147.08069	6.9
147.11696	0.4
148.06020	0.4
149.05916	0.5
149.09630	0.5
151.03893	0.8
151.07556	0.5
151.11182	1.2
152.04665	1.2
157.10136	0.7
159.11610	0.6
161.06013	0.9
161.09625	8.7
162.09888	0.4
163.07472	0.8
163.11200	1.3
164.07060	0.4
165.09122	8.6
167.07043	100.0
168.07405	1.2
171.08054	0.4
171.11705	0.3
173.06004	0.4
173.09644	0.5
175.11168	0.7
177.05458	0.7
179.10672	8.6
184.07324	0.9
185.09653	0.5
187.11209	0.6
187.14809	0.5
189.09097	6.9
193.08633	0.8
207.10159	9.5
211.14819	0.4
221.08173	2.0
225.11200	15.0
226.11435	0.5
237.11131	0.5
249.11279	0.5
257.08118	1.7
267.12222	1.6
271.16925	0.8
275.09399	0.9
285.18536	0.4
289.18060	1.2
295.16989	0.5
313.18311	0.4
315.12329	0.8
331.19083	3.8
333.13251	2.6
349.20099	7.3
351.14346	3.5
367.21249	1.0
391.21176	4.1
421.22198	1.3
439.21130	1.1
457.22214	18.6
457.70108	0.3
475.23318	18.6
476.23611	0.7
493.24493	2.6
605.26782	0.4
655.54547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52133	0.1
51.65718	0.1
55.05512	0.3
56.67773	0.1
65.03934	1.5
67.05509	0.9
69.03429	0.9
70.19685	0.5
83.04984	3.5
85.02898	0.9
87.18596	0.1
91.05480	8.0
92.17223	0.1
93.03403	1.5
95.04961	1.2
97.02888	0.1
99.00819	1.0
107.04939	0.2
111.04443	5.5
117.01855	0.3
119.04944	21.1
120.05296	0.3
121.02867	0.9
129.04510	0.1
129.05484	2.9
139.03905	3.3
147.04408	100.0
148.04747	1.1
157.04953	2.8
157.32768	0.1
165.05472	0.5
175.06015	3.5
176.23344	0.1
177.05507	0.2
187.38052	0.1
213.09154	0.4
227.05504	0.1
237.08952	0.2
265.08487	0.2
273.03378	0.2
273.06033	2.2
275.17667	0.1
291.07117	0.2
303.08646	0.8
311.09427	0.1
313.11908	0.1
321.09680	4.8
339.10782	0.6
403.79065	0.1
429.10416	0.1
447.11343	4.4
467.13382	6.7
468.13333	0.2
485.14267	0.4
503.15170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.1
51.79995	0.1
55.05515	0.6
57.03422	0.2
65.03936	2.4
67.05505	2.3
67.05836	0.2
68.99792	0.3
69.03430	1.5
71.30470	0.1
71.30799	0.2
71.96855	0.1
77.82462	0.1
83.04984	7.5
85.02901	2.4
87.04483	0.2
87.07359	0.1
89.31968	0.1
91.05484	9.2
93.03408	4.0
95.04968	2.4
97.02909	0.2
99.00826	2.0
107.04967	0.5
111.04445	11.6
115.03930	0.3
117.01864	0.6
119.04946	24.4
120.05278	0.2
121.02856	1.8
129.05486	5.7
129.52580	0.1
136.52878	0.1
139.03905	7.2
143.79774	0.1
145.02898	0.1
145.06462	0.2
147.04413	100.0
148.04724	1.1
157.04971	6.6
163.03906	0.1
165.05482	0.4
167.08588	0.2
175.06027	8.8
177.05510	0.2
195.07957	0.2
209.09666	0.1
212.08485	0.2
213.09097	1.2
219.08099	0.3
227.05525	0.3
237.09071	0.5
245.06429	0.1
265.08606	0.3
273.06082	5.1
293.08054	0.4
303.08792	0.8
311.09192	0.2
321.09686	2.3
339.10635	0.8
387.94476	0.1
417.70627	0.2
426.98438	0.2
429.10178	0.1
447.11362	5.1
467.13461	7.2
485.14291	0.5
505.81180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48932	0.1
53.03958	0.2
53.79625	0.1
54.06966	0.1
54.08661	0.1
55.05505	0.8
56.96561	0.2
57.03433	0.2
65.03938	2.9
67.05175	0.2
67.05507	3.4
68.99770	0.2
69.03427	2.6
69.80054	0.9
70.95592	0.2
71.01360	0.2
83.04983	11.6
83.23458	0.2
85.02901	4.2
87.04443	0.5
91.05482	8.4
93.03407	6.3
95.04975	3.6
97.02895	0.3
98.20782	0.2
99.00813	3.3
107.04945	0.7
111.04446	20.3
113.02372	0.2
113.11858	0.2
115.03939	0.5
117.01845	1.1
119.04947	20.7
121.02007	0.3
121.02868	3.7
129.05481	10.9
139.03903	13.0
145.02821	0.2
145.06500	0.3
145.17763	0.1
147.04410	100.0
148.04761	1.0
157.04967	11.9
163.03964	0.3
165.05476	0.6
167.08585	0.2
175.06026	15.2
175.78523	0.2
177.05513	0.6
185.09680	0.2
195.08023	0.3
209.04366	0.2
209.06084	0.2
209.09596	0.3
211.07568	0.2
212.08495	0.2
213.09117	1.9
223.07620	0.3
225.09219	0.4
227.05495	0.6
237.09067	1.2
245.06412	0.3
247.07596	0.3
255.04945	0.3
255.10248	0.2
265.08664	0.5
273.06064	10.9
283.09604	0.2
293.07870	0.8
303.08603	1.1
311.09167	0.8
321.09778	2.7
339.10806	0.7
345.19568	0.2
408.79321	0.2
414.32690	0.2
447.11356	9.2
467.13406	6.5
485.14380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01874	1.0
55.05511	5.0
57.03430	1.0
59.04995	0.4
63.02391	0.3
65.03941	10.5
67.05505	18.0
68.99785	1.2
69.03431	13.7
70.95527	1.1
71.01349	1.1
71.01733	0.4
81.03419	0.4
81.07053	1.0
83.04983	59.3
84.05343	0.4
85.02906	18.6
87.00846	0.8
87.04460	1.4
90.32317	0.3
91.05478	9.6
93.03406	30.6
95.04971	15.3
97.02887	2.1
99.00818	16.5
101.06026	1.3
103.05431	0.4
105.01881	0.4
105.07008	0.4
107.04954	5.6
109.10182	0.5
111.04443	100.0
112.04829	0.5
113.02383	0.8
115.03960	2.7
116.17982	0.3
117.01862	4.1
117.06991	0.4
119.04945	18.3
120.05704	0.5
121.02871	16.6
129.05481	48.5
130.05798	0.5
133.10214	0.4
139.03903	54.4
144.05733	0.5
145.02882	0.7
145.06471	2.3
147.04411	26.8
147.06493	2.3
148.04803	0.4
153.07082	0.6
157.04965	43.2
161.05959	0.4
167.08569	1.2
167.14354	0.9
171.04422	1.3
171.08110	0.4
175.06024	41.5
177.05486	1.4
177.06940	0.6
181.06538	0.4
183.08110	0.8
185.09566	0.5
189.05473	0.6
191.08568	1.1
191.14230	0.4
193.07111	1.0
194.07260	0.6
195.08075	1.6
197.09584	0.6
199.05966	0.4
209.04446	1.3
209.06136	0.8
209.09686	1.4
212.08362	1.6
213.09094	12.0
219.08011	2.3
221.09645	0.5
223.07541	1.4
225.09129	0.9
227.05502	3.0
237.09116	7.6
237.11378	0.6
239.10713	0.6
241.08464	0.5
245.06618	1.1
247.07610	1.8
255.05074	0.9
255.10191	0.8
265.08621	4.2
269.08020	0.5
273.06061	32.3
283.09622	1.6
291.07162	1.3
293.08109	3.4
311.09097	2.8
329.10464	0.8
339.10773	0.8
401.10849	0.9
429.10373	1.3
439.13773	0.5
447.11356	58.2
448.11667	1.2
452.94135	0.4
457.14850	0.9
457.93997	0.4
467.13458	1.7
485.14468	3.6
503.15649	0.6
592.22113	0.4
659.19354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05509	4.2
57.03440	0.9
65.03944	8.0
67.05508	12.3
68.99783	1.4
69.03434	9.0
70.06592	0.5
70.89879	0.2
71.04987	0.3
71.58900	0.3
79.05510	0.3
81.03429	0.3
83.04984	49.7
84.04533	0.2
84.05304	0.5
84.08146	0.3
85.02907	17.4
86.06055	0.4
86.09721	0.4
87.00822	0.3
87.04471	2.1
89.69286	0.3
91.05487	5.0
93.03410	31.2
93.07033	0.4
95.04971	5.0
95.08569	0.3
97.02877	1.0
98.97595	0.3
99.00812	4.8
101.06013	1.1
105.06966	0.3
107.04955	2.7
108.08109	0.3
111.04446	87.3
112.04778	0.8
113.02381	0.8
115.03947	2.1
115.05441	0.3
116.98627	0.3
117.01862	2.1
117.07002	0.4
119.04951	9.0
119.08615	0.3
121.02870	15.3
127.03903	0.5
129.05484	46.9
131.04906	0.6
133.10155	0.4
134.99661	0.3
135.11717	0.3
137.06036	0.4
139.03906	63.7
140.04243	0.5
144.05655	0.3
145.02911	0.5
145.25284	0.3
147.04410	6.6
147.06523	0.8
153.07024	0.3
157.04968	55.4
158.05389	0.5
158.99658	0.4
161.05971	0.5
163.03963	0.5
165.07063	0.3
167.08583	0.8
175.06029	100.0
176.06371	0.6
177.05560	1.4
177.06831	0.4
179.06985	0.3
181.06496	0.4
183.08086	1.0
185.09662	0.8
191.08501	0.6
192.08763	0.3
193.07088	1.3
194.07251	0.5
195.08067	1.3
197.09639	0.5
198.07733	0.6
209.06006	1.7
209.09639	1.1
212.08365	0.5
213.09113	6.6
219.08070	0.9
223.07559	1.2
225.09123	1.6
227.05510	0.3
237.02693	0.3
237.09138	2.5
241.08614	0.8
247.07561	0.7
255.05153	0.4
255.10193	1.3
265.08704	1.7
269.08011	0.4
273.06064	51.9
274.06403	0.5
283.09308	0.8
291.07074	0.5
293.08093	3.4
311.09106	1.6
329.10223	0.5
375.52148	0.3
439.13730	0.4
447.11359	8.9
457.14987	0.5
463.15463	0.3
467.13263	0.7
485.14471	4.2
569.24976	0.3
659.19067	0.4
676.26648	0.3
676.90198	0.3
677.20691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05489	0.4
64.34231	0.3
65.30891	0.3
67.05492	0.6
69.03408	0.9
69.07060	0.5
70.06583	0.4
71.59435	0.3
72.08150	0.3
79.05487	0.4
80.05035	0.3
81.03400	0.3
81.06659	0.4
81.07063	3.6
82.06552	0.4
83.04957	0.6
85.02917	0.4
85.50950	0.2
91.05472	0.7
93.03407	0.2
93.07030	0.8
94.06551	1.0
95.04949	0.7
95.07335	0.5
95.08612	1.5
96.08135	1.5
97.02904	1.5
97.06509	1.1
100.25858	0.2
103.05494	0.3
105.06966	0.4
107.04968	0.5
107.08601	0.4
108.04472	0.7
108.08100	1.4
109.10168	0.4
110.06017	1.0
110.09694	2.0
115.03896	0.3
116.05012	1.3
119.04931	0.3
120.08090	1.9
121.06486	0.3
122.06025	3.5
123.04469	0.4
124.07603	2.9
127.03918	0.6
132.07986	0.3
134.05995	0.4
136.03918	0.3
136.07562	2.0
137.05981	0.3
137.13258	2.0
138.05559	0.5
138.09123	2.1
144.04453	3.0
144.08089	0.3
145.02837	0.5
146.06015	1.0
147.04396	1.1
148.07568	0.8
149.07138	0.5
150.05457	1.9
152.07092	2.2
158.09662	0.6
159.11671	0.3
160.07538	1.2
160.09979	0.4
161.05998	0.4
162.05504	2.0
163.03870	0.4
164.07079	0.6
166.08656	3.5
167.07111	0.6
170.09666	0.5
172.03935	18.3
172.07532	0.5
172.11176	0.3
174.09183	0.3
175.08675	0.4
175.12318	1.0
177.05420	0.9
181.05028	0.4
186.09142	4.3
187.08673	1.3
188.07034	0.5
188.09357	0.6
189.10207	0.4
190.04997	3.2
196.07663	0.6
197.06277	0.4
197.08052	1.4
198.09187	0.9
199.08820	0.3
200.07050	0.4
200.10703	1.2
201.10266	0.3
202.08716	0.3
202.10918	1.5
203.11789	5.1
204.06567	30.8
205.06938	0.6
211.07146	0.6
213.10211	1.5
214.08643	9.4
214.10724	0.6
215.08202	3.5
216.08905	0.6
217.09831	1.2
218.10524	0.4
226.11086	0.3
227.08101	0.5
227.11847	1.1
228.10204	3.7
228.12370	0.4
229.09723	2.1
230.08315	0.3
230.10405	1.3
231.11314	5.5
235.10942	0.5
239.11760	0.3
241.09734	2.9
242.08153	2.0
243.11320	0.4
245.09244	1.2
245.12791	1.3
246.09949	0.3
247.10789	1.4
251.11853	0.3
255.11316	5.0
256.09644	3.1
257.09332	0.9
257.12912	1.5
258.10068	0.5
259.10788	78.3
260.11118	1.9
267.11172	0.3
271.10608	0.5
272.11563	0.4
273.12369	6.2
275.10150	0.4
279.11334	0.5
283.10773	3.8
284.09106	0.3
297.12433	0.9
301.11841	64.3
302.12234	2.7
313.11700	0.4
319.12891	100.0
320.13248	3.4
325.11844	4.0
329.15173	0.3
335.12299	0.5
337.13950	32.9
338.14413	1.2
343.12912	1.4
355.08069	0.9
357.14462	4.3
358.15112	0.5
371.12607	0.4
373.14215	0.4
399.10831	1.2
459.09186	0.4
486.16376	0.8
492.17496	0.4
496.16714	0.3
504.17493	0.9
508.17099	0.4
510.18704	0.8
579.19952	0.3
643.23438	0.3
647.27466	0.6
657.25732	1.4
661.25177	0.6
675.26587	9.0
676.26959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05489	0.4
64.34231	0.3
65.30891	0.3
67.05492	0.6
69.03408	0.9
69.07060	0.5
70.06583	0.4
71.59435	0.3
72.08150	0.3
79.05487	0.4
80.05035	0.3
81.03400	0.3
81.06659	0.4
81.07063	3.6
82.06552	0.4
83.04957	0.6
85.02917	0.4
85.50950	0.2
91.05472	0.7
93.03407	0.2
93.07030	0.8
94.06551	1.0
95.04949	0.7
95.07335	0.5
95.08612	1.5
96.08135	1.5
97.02904	1.5
97.06509	1.1
100.25858	0.2
103.05494	0.3
105.06966	0.4
107.04968	0.5
107.08601	0.4
108.04472	0.7
108.08100	1.4
109.10168	0.4
110.06017	1.0
110.09694	2.0
115.03896	0.3
116.05012	1.3
119.04931	0.3
120.08090	1.9
121.06486	0.3
122.06025	3.5
123.04469	0.4
124.07603	2.9
127.03918	0.6
132.07986	0.3
134.05995	0.4
136.03918	0.3
136.07562	2.0
137.05981	0.3
137.13258	2.0
138.05559	0.5
138.09123	2.1
144.04453	3.0
144.08089	0.3
145.02837	0.5
146.06015	1.0
147.04396	1.1
148.07568	0.8
149.07138	0.5
150.05457	1.9
152.07092	2.2
158.09662	0.6
159.11671	0.3
160.07538	1.2
160.09979	0.4
161.05998	0.4
162.05504	2.0
163.03870	0.4
164.07079	0.6
166.08656	3.5
167.07111	0.6
170.09666	0.5
172.03935	18.3
172.07532	0.5
172.11176	0.3
174.09183	0.3
175.08675	0.4
175.12318	1.0
177.05420	0.9
181.05028	0.4
186.09142	4.3
187.08673	1.3
188.07034	0.5
188.09357	0.6
189.10207	0.4
190.04997	3.2
196.07663	0.6
197.06277	0.4
197.08052	1.4
198.09187	0.9
199.08820	0.3
200.07050	0.4
200.10703	1.2
201.10266	0.3
202.08716	0.3
202.10918	1.5
203.11789	5.1
204.06567	30.8
205.06938	0.6
211.07146	0.6
213.10211	1.5
214.08643	9.4
214.10724	0.6
215.08202	3.5
216.08905	0.6
217.09831	1.2
218.10524	0.4
226.11086	0.3
227.08101	0.5
227.11847	1.1
228.10204	3.7
228.12370	0.4
229.09723	2.1
230.08315	0.3
230.10405	1.3
231.11314	5.5
235.10942	0.5
239.11760	0.3
241.09734	2.9
242.08153	2.0
243.11320	0.4
245.09244	1.2
245.12791	1.3
246.09949	0.3
247.10789	1.4
251.11853	0.3
255.11316	5.0
256.09644	3.1
257.09332	0.9
257.12912	1.5
258.10068	0.5
259.10788	78.3
260.11118	1.9
267.11172	0.3
271.10608	0.5
272.11563	0.4
273.12369	6.2
275.10150	0.4
279.11334	0.5
283.10773	3.8
284.09106	0.3
297.12433	0.9
301.11841	64.3
302.12234	2.7
313.11700	0.4
319.12891	100.0
320.13248	3.4
325.11844	4.0
329.15173	0.3
335.12299	0.5
337.13950	32.9
338.14413	1.2
343.12912	1.4
355.08069	0.9
357.14462	4.3
358.15112	0.5
371.12607	0.4
373.14215	0.4
399.10831	1.2
459.09186	0.4
486.16376	0.8
492.17496	0.4
496.16714	0.3
504.17493	0.9
508.17099	0.4
510.18704	0.8
579.19952	0.3
643.23438	0.3
647.27466	0.6
657.25732	1.4
661.25177	0.6
675.26587	9.0
676.26959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	16.0
57.03187	1.0
57.03442	16.1
58.84601	0.6
59.04994	0.8
61.02935	4.0
65.03932	1.4
66.48102	0.5
67.05508	23.6
69.03426	5.2
69.07073	8.5
71.00275	0.6
71.05003	5.7
71.36865	0.8
71.37238	1.1
73.02911	1.9
75.14388	0.5
77.03914	0.7
79.05495	28.8
81.03421	84.1
81.07059	34.0
82.03733	0.9
83.04984	21.3
83.08622	28.4
85.02909	36.3
85.06535	2.8
87.04429	0.6
91.03960	1.6
91.05484	37.7
93.07054	19.8
95.04974	33.9
95.08608	13.3
97.02901	6.5
97.06534	6.2
97.10181	4.6
99.04456	1.0
99.08090	1.8
103.05470	0.9
105.07037	29.2
107.04946	8.2
107.08604	9.5
109.02880	1.5
109.06532	7.3
109.10165	3.4
111.04464	3.5
111.08092	14.3
113.06002	3.5
115.05449	2.5
117.07041	2.1
119.04931	0.9
119.08586	25.3
121.06526	2.5
121.10153	12.0
123.08099	3.9
123.11700	1.7
125.06017	0.7
125.09644	2.5
126.10155	0.8
127.03925	1.9
128.06206	0.8
129.07013	13.9
131.08566	15.2
133.06512	4.1
133.10132	16.7
135.11667	0.8
137.09607	2.1
140.04314	0.6
142.07744	3.5
143.08586	0.7
145.10104	2.1
147.08066	4.2
147.11691	21.5
149.09619	8.6
151.11212	0.7
157.10138	18.5
163.11223	1.3
165.12764	3.9
175.11195	21.4
189.11221	0.6
193.12251	59.4
194.12686	0.8
211.13303	100.0
212.13618	1.3
225.11249	0.8
249.14856	1.5
267.15924	41.8
268.16269	0.8
285.16980	97.0
286.17371	1.8
349.21539	0.9
367.22656	2.2
385.23703	5.1
403.24759	1.7
426.31577	0.9
433.26141	1.0
441.26654	1.2
444.33139	1.4
459.27429	27.8
477.28497	28.8
495.29562	90.0
496.30042	3.3
693.25378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
51.69170	0.2
53.03948	0.7
55.01857	0.3
55.05514	0.6
55.15956	0.2
55.69132	0.2
56.96573	0.4
57.03425	0.3
60.08162	0.3
67.05499	2.0
67.21052	0.2
67.32462	0.2
69.03432	1.4
69.07066	0.5
69.87866	1.4
70.06583	0.6
71.04988	0.4
77.03929	0.5
79.05477	1.2
81.03423	2.4
81.07053	2.3
83.01376	0.3
83.04981	0.7
83.08621	0.4
84.08179	0.2
85.02901	0.9
86.09704	2.6
91.05470	1.9
93.07050	1.8
95.04967	1.4
95.08601	1.9
97.02895	2.5
97.06555	0.6
98.21474	0.3
98.97579	0.3
98.98472	0.3
99.04448	0.4
103.05466	29.1
104.05792	0.5
105.07031	2.9
107.04961	0.7
107.08599	2.5
109.02869	4.5
109.06511	0.7
109.10158	3.5
111.04430	1.7
111.08120	0.4
117.03341	0.4
117.06983	0.5
119.04963	0.3
119.08575	4.5
121.06474	0.5
121.10132	1.5
123.04482	0.4
123.08061	0.9
123.11711	0.5
124.99995	1.9
125.09621	0.8
127.03915	4.4
129.06975	0.5
131.04924	100.0
132.05234	1.7
133.06506	1.2
133.10123	3.9
135.04431	0.5
135.08051	0.8
135.11665	0.8
137.05994	0.7
137.09595	0.6
143.01839	0.3
143.08565	0.8
145.02843	0.9
145.04929	0.3
145.10133	0.9
147.04427	0.7
147.08046	1.8
147.11642	0.6
149.01279	0.4
149.06009	0.4
149.09616	0.4
151.11212	0.6
157.10121	0.7
159.08118	0.4
159.11731	0.5
161.09628	2.3
163.03940	2.0
163.07536	52.8
163.11139	1.1
164.04272	0.3
164.07890	0.9
165.09129	2.6
171.11664	0.7
173.09630	0.4
177.05443	1.0
179.10672	1.8
184.05766	0.4
184.07339	6.6
185.09596	0.8
185.13225	0.4
187.11235	0.4
189.09071	1.7
191.07010	0.2
193.12273	0.2
199.11188	1.6
207.10184	2.6
209.11617	0.3
213.12823	0.4
217.12192	0.9
225.09013	0.4
225.11198	6.9
263.10449	0.2
267.15756	0.3
269.18842	0.4
279.17242	0.2
285.16882	0.3
286.05026	0.5
297.18463	0.8
315.19589	2.0
319.08292	0.3
331.19220	0.5
333.13333	0.5
333.20441	1.4
357.20520	0.3
369.20407	0.4
375.21555	0.5
423.21457	0.7
441.22830	1.6
459.23163	1.5
477.28326	0.7
583.11182	0.6
692.32904	0.6
716.43158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37035	0.6
52.34203	0.6
53.03942	1.5
55.05500	1.8
57.03425	1.2
60.38911	0.8
67.05495	4.0
69.03427	2.1
69.07058	1.0
69.60407	4.2
70.41250	0.7
79.05490	3.9
81.03426	6.0
81.07066	5.0
83.04985	3.0
83.08603	1.3
85.02905	2.7
86.09710	3.8
91.05458	5.1
93.07050	4.8
95.04984	3.8
95.08611	4.2
97.02892	6.0
97.06526	1.8
99.04485	0.7
103.05465	33.4
105.07040	5.6
107.04952	1.9
107.08588	5.9
109.02872	8.3
109.06480	2.0
109.10149	9.4
111.04439	5.7
117.07004	1.0
119.08578	13.2
121.06535	1.1
121.10129	3.4
123.04401	1.0
123.08055	2.1
123.11747	1.2
125.00025	2.3
127.03918	12.2
129.06970	1.1
131.04924	100.0
131.08569	2.4
132.05261	1.6
133.06517	4.9
133.10115	8.1
135.08041	2.7
135.11667	1.5
137.05969	1.6
137.09628	1.8
143.08496	1.1
145.04878	1.1
145.10144	2.3
147.04436	1.7
147.08018	6.3
147.11725	1.7
151.11234	1.0
157.10159	2.7
159.11722	1.5
161.09579	5.4
161.10730	0.7
163.03918	1.9
163.07535	51.2
163.11179	2.0
164.07886	1.0
165.09096	5.2
167.07048	0.7
169.10094	1.2
171.11641	1.5
173.09561	0.8
175.11224	1.0
177.05495	1.2
179.10678	3.8
181.10054	1.5
184.07346	13.2
185.09662	2.9
185.13242	1.2
189.09068	4.8
193.12259	2.6
197.06073	0.8
199.11182	4.6
199.14819	0.9
207.10156	4.9
211.13222	1.3
217.12285	2.1
225.11200	20.9
226.11597	1.0
267.13284	0.7
267.15793	4.0
285.16995	1.9
287.20203	0.9
297.18607	3.0
313.17953	1.0
315.19495	6.1
331.19019	2.5
333.13806	0.9
333.20584	4.6
351.14661	1.5
357.20721	1.8
360.10724	0.8
369.20480	1.6
375.21591	1.7
405.58121	0.7
423.21683	2.5
441.22766	9.1
459.23865	6.7
477.28384	1.4
495.29575	3.2
554.08960	0.8
692.34363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
55.05502	4.3
56.96578	1.4
57.03434	1.7
61.02913	2.6
67.05168	1.5
67.05502	21.7
69.03441	7.1
69.07067	5.4
70.06572	3.5
71.59096	1.3
71.59470	1.1
72.08110	1.2
77.03903	1.0
79.05486	7.5
81.03406	2.3
81.07056	20.9
82.07388	1.5
83.04975	1.9
83.08621	2.4
84.08145	1.4
85.02898	17.0
85.06555	1.5
86.09695	3.4
90.54972	1.0
91.05474	7.3
93.07039	11.1
95.04943	3.4
95.08603	22.0
97.02888	15.1
97.06543	6.4
98.97574	2.2
99.04465	1.0
100.07619	1.3
100.11237	4.0
103.05430	1.2
105.07030	10.7
107.04935	2.5
107.07958	1.3
107.08596	15.0
109.02855	2.8
109.06530	5.1
109.10153	100.0
111.04465	6.6
111.08083	3.3
113.06016	2.5
116.98624	2.5
117.03336	1.9
117.07013	1.3
119.04903	1.5
119.08575	28.6
121.06496	2.5
121.10120	9.4
121.74214	1.0
123.08035	5.2
123.11707	4.3
125.05962	1.0
127.03903	4.5
129.07011	1.5
131.04901	4.5
131.08640	1.9
133.06490	11.6
133.10127	22.3
134.99583	1.3
135.04442	1.9
135.08037	2.7
135.11722	5.1
137.05957	2.5
137.09583	4.0
137.13255	5.9
139.07524	1.4
143.08543	3.6
144.50371	0.9
145.02840	2.7
145.04977	5.9
145.08347	1.2
145.10138	3.9
147.04375	2.5
147.08032	13.6
149.09595	2.8
151.07439	1.1
151.11182	4.0
156.09291	1.0
157.10126	2.9
159.07968	1.3
159.11665	5.8
161.01099	1.1
161.05984	1.1
161.09625	12.4
161.13269	2.0
163.03914	9.3
163.05991	2.1
163.07344	1.3
163.11188	2.0
164.04269	1.6
165.09108	19.9
167.06955	1.0
169.10078	1.3
171.11670	2.2
172.03851	1.6
173.09589	1.6
173.13243	3.5
177.00711	2.7
177.05449	2.6
179.10684	11.7
182.15405	1.8
185.09550	2.0
187.11179	4.0
187.15010	1.0
189.09114	13.0
191.03879	1.6
191.10709	1.5
191.56783	1.0
195.11584	1.2
199.11137	2.2
199.14752	2.1
201.12727	1.9
204.06509	1.7
205.12276	1.3
207.10184	17.3
209.11661	4.0
209.13484	1.1
209.16582	1.3
210.14833	2.6
211.14987	1.1
213.12619	1.3
217.12267	1.3
219.01764	1.1
219.13870	4.3
223.16815	1.3
225.11211	61.9
227.17900	1.2
237.02834	2.4
237.16415	2.0
241.12227	1.6
251.18030	1.3
255.13725	1.1
255.17476	2.2
257.09637	1.0
259.10770	4.2
269.18951	2.9
269.31274	1.1
273.18341	2.2
279.17358	1.6
287.16656	1.5
287.20016	2.8
291.06476	3.2
297.18512	9.5
301.11835	3.7
309.07462	1.1
315.19547	34.5
319.12888	5.7
333.20584	60.9
334.20969	1.5
337.13898	1.7
341.22220	1.3
348.13535	1.3
350.22711	2.4
351.74692	1.2
352.24594	2.2
359.23322	9.8
359.73563	3.4
389.14685	2.5
400.08530	1.5
415.18173	2.4
431.15869	2.3
459.08881	3.9
489.06186	1.6
607.27197	1.3
616.83002	1.1
625.18317	1.4
648.25305	2.3
649.27795	2.9
675.47510	1.4
692.48541	1.7
693.48535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05504	1.2
57.03418	2.0
59.46214	0.4
61.02927	5.2
67.05508	6.3
69.03424	2.9
69.07050	0.9
69.36628	3.3
69.37051	1.8
71.05005	0.8
73.02908	3.1
79.05497	2.4
81.03410	0.9
81.07061	4.0
83.05001	0.5
83.08644	0.5
85.02902	4.6
87.04433	0.6
91.03954	3.2
91.05476	2.0
91.32999	0.5
93.07048	4.5
95.08619	3.6
97.02892	4.2
99.04437	0.7
101.02386	1.2
105.07023	2.0
107.08595	1.4
109.02837	0.6
109.10154	4.8
115.03921	0.6
117.07063	0.9
119.08594	1.0
121.10127	1.3
127.03918	1.3
131.08586	1.0
133.10141	0.9
135.11734	0.9
145.10162	0.6
147.11671	0.6
158.89325	0.5
162.87868	0.5
173.11766	1.2
184.07317	1.1
185.04253	0.8
195.09959	1.0
229.14415	0.7
243.08501	1.9
301.92365	0.6
316.36478	0.6
335.25775	0.6
367.58487	0.5
413.17886	3.7
439.24509	0.5
471.24249	1.0
519.29517	6.7
519.36780	0.6
611.71552	0.5
691.40259	100.0
692.40637	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	691.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.9
55.01862	6.3
55.05497	4.6
57.03427	2.1
65.03910	2.4
67.05509	10.8
68.99789	2.3
69.03426	26.2
69.07059	6.8
69.48736	3.1
69.49142	11.0
71.04980	4.4
79.05505	8.6
79.67267	1.5
81.03415	19.3
81.07060	14.6
83.04974	6.8
83.08624	3.5
85.02915	7.9
85.06512	3.3
90.15331	1.4
91.05468	12.4
93.07049	17.3
95.04958	15.8
95.08608	20.9
97.02908	9.8
97.06525	16.1
99.04437	3.2
105.07034	18.8
107.04953	3.1
107.08585	31.9
108.67951	1.4
109.02877	40.9
109.06513	10.5
109.10145	6.5
111.04425	7.7
111.08066	5.8
112.43466	1.6
113.06044	7.6
117.07026	3.6
119.08580	22.4
121.06518	9.6
121.10136	59.3
123.04446	14.0
123.08068	15.9
123.11723	4.7
125.05980	3.8
125.09625	67.8
125.10555	3.3
126.09927	2.3
127.03902	23.1
129.07030	3.4
130.07774	2.3
131.08568	6.6
133.06497	4.4
133.10121	17.4
135.04445	1.9
135.08112	7.9
135.11682	24.9
137.05974	4.8
137.09610	5.3
139.03902	2.0
139.07552	3.8
143.08560	4.3
145.04962	4.0
145.06500	2.1
145.10115	30.7
147.04407	7.1
147.08022	4.3
147.11685	21.7
149.05922	3.1
149.09633	22.8
151.03894	4.2
151.07535	67.9
153.01891	2.4
155.03381	2.8
155.06931	1.8
155.08484	1.5
156.09351	2.8
157.10130	7.1
159.11676	14.9
161.06024	3.9
161.09598	9.3
161.13228	5.9
163.03903	13.1
163.07484	1.9
163.11185	63.2
165.09087	2.5
167.08424	1.6
171.11678	7.5
173.05952	2.0
173.09621	13.6
173.13226	10.3
174.14003	2.2
175.03992	1.9
175.07538	6.7
175.11189	5.5
175.14813	2.7
177.05492	3.4
177.12790	4.5
179.07036	6.0
179.10716	2.3
181.09991	1.5
181.12132	1.8
183.11742	2.3
184.07294	3.0
185.09686	1.8
185.13255	6.9
187.11169	5.5
187.14772	4.9
189.05478	6.4
189.09154	4.0
189.12794	2.0
191.03513	2.0
191.10670	100.0
193.05034	2.7
193.12201	2.6
197.08090	18.5
197.09683	1.6
199.11205	4.3
199.14807	3.6
201.09077	1.9
201.12669	2.6
203.06981	5.5
203.10728	3.5
203.14217	2.7
205.12192	2.6
209.11687	33.0
211.11195	2.8
211.14977	1.8
213.12698	3.0
213.16496	2.6
215.07025	3.9
215.10600	3.0
215.14323	1.9
217.04921	19.1
217.12262	1.9
219.02927	2.4
221.08174	7.8
227.10722	3.1
227.12730	19.8
227.17874	3.9
229.15721	2.5
231.17625	1.6
233.08136	1.9
235.06082	8.3
239.09117	8.5
241.08701	2.5
241.12286	1.8
241.19379	2.9
253.15886	1.9
255.17451	4.8
259.09631	10.9
263.09119	3.3
269.08002	3.0
269.19037	7.8
271.17102	2.8
271.20255	1.9
273.18466	6.4
287.09198	20.3
287.20062	6.6
289.14166	2.4
293.13800	2.5
297.18454	16.9
299.12762	5.8
305.10056	8.4
311.14944	8.1
315.15790	2.9
315.19531	57.9
317.13858	11.5
323.11401	1.8
333.20590	47.6
335.14917	14.9
351.21661	4.9
353.15967	14.8
375.21561	13.3
393.22589	4.6
405.22147	2.4
415.13809	2.7
423.21640	5.7
435.23669	4.1
441.22632	15.4
443.17081	6.3
459.23856	27.4
461.17917	6.1
477.24924	31.0
512.17145	3.1
513.17517	4.5
514.18512	3.1
531.22272	2.2
549.24323	1.9
555.18402	2.5
567.25458	3.7
585.26495	5.7
601.22656	2.7
617.22327	2.2
691.26019	37.0
692.26245	6.6
714.04742	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05507	0.5
57.03428	0.5
67.05508	1.5
69.03423	0.7
69.07069	1.4
71.59785	0.5
73.70945	0.3
79.05504	2.0
81.03429	1.4
81.07059	1.6
83.04991	0.8
83.08616	0.6
85.02914	0.9
91.05489	1.2
93.07056	0.9
94.07375	0.4
95.04979	1.1
95.08613	0.9
97.02912	0.8
97.06536	6.0
98.97624	0.4
105.07049	1.2
105.45616	0.4
107.04967	0.6
107.08612	1.3
109.02934	0.4
109.06548	0.4
109.10169	0.8
111.08088	0.7
117.03458	0.4
118.74923	0.4
119.08588	1.3
121.10167	1.3
127.03975	0.7
128.42130	0.3
131.08574	0.5
133.10172	1.3
135.04456	0.8
135.11702	0.4
141.07034	0.5
145.02887	0.6
145.10049	0.7
147.04500	0.5
149.02422	0.4
153.09100	0.4
159.11700	0.4
161.02386	0.8
161.06033	1.2
163.03902	4.8
163.05069	0.5
163.11234	0.6
169.06410	0.4
173.02342	1.9
173.13213	0.4
177.05548	0.5
189.09167	0.6
197.06029	0.5
211.13321	0.5
215.07068	3.6
241.08395	0.7
259.09680	8.9
259.12286	0.5
267.15659	0.5
275.19925	0.5
283.15424	0.6
284.15778	0.7
292.62692	0.6
349.23825	1.5
413.15845	0.5
415.13763	2.3
416.14523	0.5
428.14722	0.8
429.15784	1.1
430.16586	0.9
441.16095	0.4
442.16306	1.1
443.17230	1.2
444.18100	0.8
455.12988	0.7
456.14227	0.7
457.19031	3.8
458.19257	1.1
467.17444	0.6
470.12421	1.7
471.16623	0.4
482.15829	0.8
483.12244	3.6
484.13766	8.8
485.13754	3.2
486.16748	0.4
488.17725	0.4
493.27921	0.4
494.28088	1.2
496.17923	0.5
497.14984	4.4
498.15189	6.8
499.15802	2.8
500.16830	0.8
502.15118	0.4
510.19543	1.1
511.15433	2.8
512.16992	5.5
513.17731	21.1
514.18494	5.8
515.18225	0.4
516.16180	0.5
523.16113	8.5
524.16138	0.5
525.17615	1.6
526.18530	2.5
527.19415	7.2
528.19690	1.1
531.19263	0.7
540.19226	0.5
545.24408	0.9
554.20184	0.9
555.18750	2.9
556.20184	0.5
557.23828	0.6
558.18066	0.4
568.20685	0.6
569.19965	0.6
572.18182	0.5
573.22693	1.1
582.21118	0.4
589.56696	0.4
599.21570	1.5
600.22479	2.3
601.22839	5.4
602.21368	0.5
614.23883	1.8
632.22235	0.7
633.22040	0.6
659.23706	1.4
660.24042	3.1
661.24738	0.4
673.24902	1.3
691.26123	100.0
692.26300	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	690.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
53.91464	0.5
55.01870	3.1
55.05509	11.3
57.03434	10.0
57.07059	0.9
61.02919	2.7
63.98278	0.6
65.03949	1.1
67.05502	17.2
68.75446	0.5
69.03423	4.2
69.07070	6.9
71.01346	0.8
71.05001	3.5
71.13552	0.5
71.59938	1.1
71.60334	0.6
73.02914	1.0
79.05492	22.3
80.23428	0.6
81.03416	33.7
81.07056	23.0
82.07384	0.9
83.01340	1.4
83.04978	11.0
83.08615	14.7
85.02907	15.2
85.06515	1.3
87.04447	0.6
91.03946	1.1
91.05476	19.6
93.07044	26.1
93.51992	0.6
95.04966	16.7
95.08604	22.2
97.02879	7.8
97.06532	5.1
97.10166	2.3
99.04458	3.2
103.05471	0.9
104.95537	0.6
105.07029	16.9
106.07384	0.9
107.04961	7.8
107.08598	16.9
108.08895	0.6
109.02882	5.6
109.06511	5.1
109.10141	4.2
109.11399	0.5
111.04455	5.1
111.08089	6.8
113.06004	2.7
115.05460	1.0
115.36086	0.5
117.07015	5.7
119.04925	0.6
119.08577	16.5
120.08981	0.6
121.06493	4.2
121.10144	13.1
123.04419	2.1
123.08056	3.0
123.11671	1.0
125.06004	2.2
125.09641	4.1
127.03903	7.1
127.07591	0.7
128.04248	1.0
129.06989	5.8
130.07771	0.8
131.04915	0.9
131.08575	8.3
133.06477	2.1
133.10118	8.4
135.08055	2.1
135.11685	25.4
137.06059	0.6
137.09628	1.7
139.03911	0.8
139.07597	0.7
142.07779	1.1
143.08582	1.0
145.10123	18.0
147.04414	0.9
147.08031	3.7
147.11679	8.3
149.09647	3.7
151.11249	0.8
153.12733	1.2
157.10107	8.1
159.07971	0.7
161.09618	2.6
163.03886	1.0
163.11180	36.0
164.11546	0.7
165.09131	2.3
165.12798	2.0
166.09332	0.6
169.10190	0.7
173.02335	0.7
173.09608	1.8
175.11165	7.3
179.03177	0.6
179.07043	1.9
179.10674	0.7
180.07281	0.8
181.12206	5.7
189.09064	1.2
191.10683	1.2
193.12248	19.7
197.08089	7.6
198.08427	2.6
207.10210	1.5
209.11716	2.8
211.13297	28.1
214.17921	1.0
215.07144	1.1
217.04927	1.4
225.11258	2.4
227.12770	32.9
249.18671	0.6
259.09720	2.4
267.15903	24.0
283.15393	53.3
285.16949	44.2
286.17270	0.8
314.18118	0.9
338.73740	0.6
349.20071	0.8
349.58560	0.6
391.21112	1.3
404.91528	0.7
415.13586	0.7
442.23547	0.7
457.21286	1.2
475.27048	26.1
493.27960	100.0
494.28787	3.2
690.28259	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	690.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
52.08266	0.2
53.03945	0.9
55.01875	3.8
55.05514	10.1
57.03439	8.8
57.07067	0.6
59.05006	1.7
61.02931	2.8
65.03938	0.7
65.75984	0.2
67.05508	13.1
69.03442	2.2
69.07067	4.0
70.65739	0.6
71.01350	0.8
71.04598	0.2
71.04993	3.8
71.08638	0.2
73.02924	1.2
74.09703	0.2
77.03951	0.2
79.05496	16.8
79.32489	0.2
81.03423	32.3
81.07059	17.6
81.07580	0.2
82.03746	0.2
82.07381	0.2
83.01350	4.2
83.01843	0.2
83.04987	12.4
83.08622	14.8
84.08974	0.2
85.02910	14.5
85.06545	1.1
87.04470	0.4
91.03977	1.5
91.05486	15.4
92.05804	0.3
93.07049	16.6
94.07405	0.4
95.04974	14.1
95.08610	6.6
96.05313	0.2
97.02898	4.0
97.06535	3.0
97.10173	2.3
99.04468	1.4
99.08092	0.6
101.02390	0.3
101.05980	0.3
103.05479	0.5
105.04523	0.4
105.07034	12.3
107.04961	6.9
107.08601	8.4
107.18958	0.2
109.02881	1.0
109.06528	5.0
109.10146	2.1
111.04443	2.6
111.08086	5.6
113.06037	1.2
115.04030	0.2
115.05466	0.6
116.06252	0.3
117.07034	4.2
119.04938	0.6
119.08587	11.4
120.08884	0.3
121.06515	2.3
121.10149	7.4
123.04440	0.7
123.08073	5.2
123.11703	0.9
125.06015	0.9
125.09629	1.7
127.03929	1.4
127.07533	0.3
128.06190	0.2
129.05571	0.2
129.07011	5.0
130.07813	0.5
131.04900	0.4
131.08578	6.6
133.06502	1.7
133.10135	6.4
135.04431	0.3
135.08095	1.1
135.11700	5.8
137.09613	1.6
139.07524	0.4
142.07771	1.3
143.08591	0.4
145.04919	0.3
145.06535	0.4
145.10127	8.5
147.08058	2.9
147.11688	6.4
148.11987	0.3
149.09624	3.1
151.11147	0.4
153.12740	1.7
155.08585	0.9
157.10144	6.3
161.05933	0.2
161.09682	0.5
163.03847	0.3
163.11188	12.6
165.09151	0.3
165.12761	1.6
173.09610	1.8
175.11188	6.7
179.63838	0.2
181.12224	1.7
191.10649	1.6
193.12250	20.8
194.12601	0.3
197.08147	0.3
209.11734	3.8
211.13304	36.1
212.13637	0.6
215.07098	0.3
225.11157	0.3
227.12816	2.6
231.14015	0.3
239.09038	0.2
239.84612	0.2
249.14922	0.5
259.09714	0.4
265.14340	0.7
267.15924	7.9
269.10898	0.2
283.15411	50.9
284.15668	1.2
285.16971	34.6
286.17233	0.7
355.23035	0.2
365.20898	0.3
383.22162	2.6
401.23419	1.2
406.31644	0.2
419.24445	0.3
457.25903	3.9
475.26965	15.3
476.27249	0.8
493.27982	100.0
494.28406	4.2
549.05188	0.2
561.98450	0.2
592.29242	0.2
630.50067	0.2
637.30908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
53.03948	1.3
55.01866	0.6
55.05486	0.4
57.03457	0.4
57.07095	0.3
57.72173	0.3
62.18615	0.3
67.05494	1.1
69.03431	2.1
69.07064	0.6
71.04998	0.7
71.59128	0.7
77.03907	0.4
79.05507	2.2
81.03416	5.9
81.07064	2.1
81.81550	0.3
83.04980	0.7
83.08629	0.4
85.02908	0.7
86.09702	0.4
91.05493	2.7
93.07042	3.7
95.04955	1.0
95.08611	2.6
97.02893	5.6
99.04462	1.6
103.05470	30.8
105.07031	4.5
107.04976	0.7
107.08593	4.5
109.02883	28.6
109.06526	1.5
109.10167	1.7
111.04449	1.2
111.08060	1.4
113.05981	0.4
117.07028	1.0
119.04925	0.4
119.08578	9.3
121.06483	0.9
121.10143	3.3
123.04391	0.4
123.08082	2.7
123.11695	0.7
125.09633	19.7
127.03918	22.4
131.04930	100.0
132.05211	2.0
133.06448	0.8
133.10130	7.8
134.10457	0.4
135.04390	0.6
135.08093	0.6
135.11687	1.3
137.05965	0.8
137.09601	1.1
143.08569	1.2
145.04976	2.5
145.05951	0.3
145.10110	0.8
147.04451	0.6
147.08044	4.9
149.05988	0.4
151.07561	0.5
151.11198	0.9
159.11623	0.6
161.05989	0.4
161.09631	5.4
163.03960	2.6
163.07545	52.1
163.11198	1.3
164.04314	0.5
164.07855	1.0
165.09106	6.2
167.06992	0.6
171.08141	0.4
173.13222	0.4
175.11102	0.5
177.05463	0.7
179.03409	2.6
179.10661	4.7
184.07301	0.6
187.07535	0.3
189.09122	5.0
199.11099	0.6
207.10149	6.8
225.11226	12.9
226.11546	0.4
229.15962	0.3
253.08563	0.8
267.12286	1.7
271.09525	0.6
289.17908	0.5
297.13235	0.5
313.17908	0.9
315.12225	0.9
315.19504	0.8
331.19064	3.8
333.13364	3.0
349.20120	6.0
351.14316	3.7
367.21152	0.7
391.21097	4.0
421.21994	1.1
439.21042	0.9
441.22415	0.5
457.22198	17.3
458.22220	0.9
475.23212	15.2
476.23248	0.8
493.24283	2.4
568.22211	0.5
577.85870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01863	2.0
55.05496	2.3
57.03426	1.4
59.04980	0.8
62.79711	0.5
67.05497	4.4
69.03432	9.8
69.07054	1.3
69.48419	4.9
70.24014	0.6
71.04983	3.5
73.41062	0.6
76.12048	0.6
79.05488	5.5
81.03417	20.7
81.07053	9.0
81.41424	0.6
83.01357	0.7
83.04976	2.0
83.08624	1.5
85.02909	3.2
85.06505	0.7
91.05476	7.9
93.07040	10.7
95.04966	2.4
95.08611	8.8
97.02889	18.8
97.06506	1.3
99.04457	4.1
103.05428	1.1
105.07030	14.6
107.04964	1.7
107.08601	13.8
108.08910	0.9
109.02878	100.0
109.06516	7.8
109.10168	3.2
110.03198	2.5
111.04437	2.8
111.08068	5.4
113.05978	1.5
115.03911	1.1
115.05478	0.5
117.07004	1.8
119.08581	34.7
120.08904	1.3
121.06506	2.9
121.10140	12.4
123.04435	1.9
123.08066	9.8
123.11697	3.2
124.08835	1.4
125.06003	0.9
125.09627	74.9
126.09957	2.3
127.03914	66.8
128.04254	1.5
128.06265	0.8
131.08569	2.4
133.06496	1.7
133.10127	28.4
134.10498	1.4
135.08073	1.9
135.11694	4.2
137.05975	2.1
137.09637	3.7
139.28735	0.6
140.33774	0.5
143.08575	4.2
145.04959	7.8
145.06461	1.0
145.10144	3.2
147.04424	0.8
147.08038	14.7
147.11676	1.2
149.02379	1.1
149.05978	1.5
151.03905	0.7
151.07550	2.1
151.11203	4.1
155.08504	0.9
157.10068	1.1
159.11748	0.7
161.05899	0.6
161.09618	20.0
161.10927	1.3
162.09970	1.8
162.62843	0.6
163.03958	0.9
163.07573	1.8
163.11168	3.9
165.09103	21.5
171.11690	0.8
173.05977	0.8
173.13295	0.8
175.07529	1.2
175.11111	1.1
177.09103	0.6
179.10674	16.6
179.12184	1.2
187.11168	1.2
187.14893	1.0
189.09102	16.2
190.09456	1.3
191.10686	0.9
193.05022	1.4
197.07957	0.7
201.09030	0.6
207.08206	1.4
207.10161	22.8
208.10545	1.2
209.16844	0.6
217.04935	1.6
218.05344	0.9
225.11201	37.1
226.11407	1.5
229.12054	0.6
229.15964	0.8
232.08284	0.6
235.06038	1.0
239.08904	0.7
243.17372	0.8
245.06328	2.0
247.09555	0.7
249.11185	1.1
253.16034	1.1
259.09641	0.8
267.12247	4.3
269.12033	0.7
271.09818	1.0
271.16849	2.0
285.18628	1.6
289.05237	5.3
289.10715	0.7
289.18030	1.8
290.05679	2.3
313.18011	2.3
315.12228	1.8
331.19031	11.4
332.19434	1.2
333.13242	5.8
334.56540	0.8
349.20078	16.3
350.20447	1.7
351.14362	10.2
367.21176	0.9
389.10556	1.0
390.10660	0.7
391.21146	10.5
392.21521	1.2
421.22220	2.2
439.21262	2.4
451.23279	1.2
457.22192	31.4
458.22729	2.6
475.23209	24.3
475.33661	0.7
476.23456	1.8
492.26715	0.6
493.23471	3.5
494.24564	1.8
646.32275	1.0
690.31769	14.8
691.25000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01872	0.9
55.05501	1.0
59.05000	0.4
59.34402	0.3
61.02906	0.3
65.03938	0.4
67.05496	1.1
69.03125	0.4
69.03440	4.7
69.07072	0.7
69.38557	0.4
70.06599	0.8
70.21593	1.7
79.05507	2.3
81.03425	0.6
81.07058	4.7
83.04990	1.2
83.08614	0.5
85.02905	3.4
86.09702	0.8
89.03894	0.4
91.05485	4.1
93.07046	5.7
94.02290	0.3
95.04958	1.4
95.08603	3.6
97.02892	7.8
97.06547	0.6
99.04459	0.4
99.08102	1.5
103.05501	0.5
105.07033	6.9
107.04981	1.1
107.08600	9.9
109.02882	1.1
109.06519	3.5
109.10162	2.1
111.04467	1.1
111.08092	3.1
113.05984	1.1
115.03934	0.6
117.06965	0.4
119.04977	0.6
119.08584	19.5
120.08120	0.5
121.06492	0.9
121.10151	5.9
123.08069	5.1
123.11702	1.7
124.08873	0.4
125.09631	100.0
126.09984	0.8
127.03931	1.2
131.04970	0.6
131.08615	0.4
133.06490	0.6
133.10130	15.4
134.10452	0.5
135.08092	1.2
135.11710	2.2
136.07591	0.5
137.05971	1.4
137.09612	2.2
137.13245	0.4
138.18904	0.3
139.03932	0.5
139.07613	0.5
143.08533	2.7
145.02875	0.4
145.04944	0.7
145.10133	1.3
146.07332	0.4
147.04390	1.6
147.08046	10.8
147.11656	0.4
149.06027	0.5
149.09648	0.8
151.07558	0.6
151.11189	2.0
152.07060	0.4
157.10126	0.4
159.08058	0.8
159.11684	0.5
161.09622	11.1
163.03958	0.9
163.07527	0.9
163.11179	1.5
165.09117	14.8
171.08109	0.9
173.09618	0.5
177.05467	1.5
179.10660	11.5
181.12288	0.4
185.09488	0.6
187.14923	0.4
189.09109	9.8
189.12759	0.4
193.12340	0.4
199.11247	0.4
203.10655	0.7
207.10175	16.7
209.15277	0.5
211.13310	0.7
225.11212	21.6
229.15825	0.7
237.02888	0.4
253.15961	0.6
271.16843	1.0
285.12274	0.5
285.18646	0.8
289.18005	1.6
295.17276	0.4
303.19495	0.9
309.07690	0.6
313.17929	1.5
317.21106	0.4
331.19019	7.8
335.22150	2.1
337.07077	0.6
349.20102	83.8
350.20361	1.8
367.21158	8.1
380.53326	0.4
390.22620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	1.4
53.03943	7.4
55.01871	4.9
55.05519	12.0
57.03435	5.9
57.42433	1.6
59.93193	1.6
61.02923	2.2
65.03960	1.9
67.05512	17.6
69.03437	12.8
69.07070	5.4
69.62859	10.9
71.05000	7.6
79.05499	20.5
81.03423	35.7
81.07055	22.7
83.01336	4.2
83.04976	11.2
83.08637	8.9
85.02905	11.6
91.05481	23.4
93.07047	29.5
95.04978	13.1
95.08614	18.7
97.02895	17.3
97.06545	3.9
97.10187	3.9
99.04464	4.6
99.08110	1.8
99.60726	1.5
103.05475	1.7
105.07034	37.4
107.04975	9.1
107.08595	34.6
109.02885	45.5
109.06519	9.9
109.10160	25.0
110.03152	2.6
111.04455	14.6
111.08087	6.8
113.06094	1.6
117.07031	7.1
119.08583	49.1
121.06513	6.9
121.10153	14.1
123.04430	10.6
123.08053	11.5
123.11740	4.3
125.05988	2.0
125.09652	5.7
127.03919	74.6
128.04265	3.9
128.06212	2.6
129.07022	6.7
130.03175	1.5
131.08575	10.7
133.02843	6.5
133.06500	15.1
133.10132	39.8
135.04413	2.9
135.08058	13.0
135.11710	9.7
137.05977	1.8
137.09641	7.5
139.03917	3.8
142.07753	1.9
143.08577	8.9
145.04959	5.9
145.06406	2.0
145.10144	14.1
147.04433	2.8
147.08063	22.3
147.11684	8.7
149.06041	2.1
149.09674	7.3
151.03914	5.3
151.11229	4.3
152.08005	1.8
155.08557	3.1
156.09393	2.2
157.10150	8.6
159.08017	2.8
159.11713	6.3
161.09641	20.5
163.07579	1.8
163.11179	15.2
165.09097	20.1
169.10086	3.1
171.08115	2.5
171.11710	6.3
173.09685	3.0
173.13332	1.7
175.07521	1.6
175.11223	6.8
179.03406	100.0
179.10660	15.8
181.10133	3.6
183.11690	1.7
184.65266	1.6
185.09625	7.1
185.13182	3.1
187.11139	2.1
187.14737	2.5
189.05482	4.4
189.09099	17.4
189.12837	2.2
190.05809	1.8
191.10699	2.3
193.05040	3.3
193.12206	10.9
195.11565	2.6
197.13326	2.2
199.11197	16.5
199.14804	3.4
201.09085	1.7
203.10616	2.9
207.10181	20.3
209.11673	3.1
211.13275	16.8
215.10631	2.5
217.04953	10.0
217.12222	9.5
218.05424	6.6
221.08153	2.3
225.11240	48.1
226.11560	1.9
227.12860	2.3
235.06059	6.6
236.06351	3.4
238.69089	1.8
239.09076	2.2
251.17938	2.4
263.09064	2.2
264.09595	1.6
267.12311	10.3
267.15958	6.3
269.19009	2.4
273.18616	1.7
283.15417	25.6
285.16840	13.5
287.20218	2.5
288.09305	1.8
297.18427	8.0
313.14465	1.9
313.18091	1.8
315.19543	25.2
323.07733	9.2
331.19052	5.0
332.19424	1.9
333.13351	13.8
333.20618	4.9
349.20108	4.3
350.20282	5.4
351.14398	10.6
357.20648	4.9
369.20480	1.8
375.21667	3.2
391.21185	6.4
392.21472	9.5
423.21588	2.9
441.22809	15.8
452.16650	1.9
458.22482	3.7
459.23898	9.4
475.27151	8.9
477.24625	2.7
490.19202	1.7
493.27966	47.7
566.24933	3.6
655.27515	13.5
661.10529	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.1
55.01869	6.7
55.05513	24.5
55.78855	2.0
57.03429	9.3
57.07069	7.0
65.03949	4.7
67.05511	57.8
69.03429	25.3
69.07063	19.3
71.04984	6.5
71.08636	3.0
71.52027	2.4
71.52760	2.0
79.05501	53.3
81.03425	81.2
81.07063	62.9
83.04983	19.0
83.08621	21.8
85.02908	18.7
85.06553	2.4
87.04446	4.4
89.06030	8.6
91.05486	49.5
93.07050	52.8
95.04970	32.9
95.08616	39.2
97.02896	14.3
97.06530	7.1
97.10201	5.3
99.04446	5.4
99.08087	2.4
105.07038	37.2
107.04951	10.0
107.08603	32.0
109.02898	13.3
109.06535	7.0
109.10167	13.3
111.04442	15.1
111.08101	9.6
113.05997	2.8
115.05397	2.9
117.07029	14.4
119.08585	28.5
121.06545	4.7
121.10139	25.0
123.04424	3.3
123.08102	5.0
123.11688	3.8
125.09674	3.6
127.03949	7.3
129.05527	2.6
129.07010	14.2
131.08580	21.5
133.06490	5.3
133.08603	4.0
133.10138	16.2
135.07997	2.3
135.11711	14.0
137.09627	4.5
141.07054	2.9
141.20074	2.3
142.07808	4.6
143.08569	6.3
145.06471	3.8
145.10168	11.5
147.04471	2.1
147.08052	3.9
147.11708	15.7
149.09659	8.3
149.13261	5.0
157.10136	16.0
159.08075	2.7
159.11749	8.9
161.09616	4.3
161.13264	4.4
163.11246	5.4
165.12804	4.4
171.11707	4.3
173.09683	3.1
173.13225	4.9
175.11246	12.0
181.12337	3.0
183.11778	3.1
184.07382	5.1
185.13315	3.1
187.14780	2.2
189.09108	2.1
191.10672	4.0
193.12276	43.7
211.13300	74.3
227.12862	5.3
235.13300	3.1
243.21094	3.0
259.20844	2.7
261.22186	6.2
267.15936	3.8
273.14841	2.8
273.22263	2.7
285.17020	6.7
301.14484	3.1
301.21582	3.7
315.23135	2.2
335.25900	6.3
355.17426	11.0
369.24429	8.1
387.25333	6.6
405.26263	2.8
411.20111	4.3
443.27963	5.1
461.28998	6.2
513.88397	2.5
530.39594	2.9
545.38336	9.1
653.40295	6.4
655.52515	2.6
671.41089	10.2
689.42554	100.0
690.42651	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.6
53.03945	9.9
55.01865	5.4
55.05513	33.1
56.96555	1.6
57.03437	12.6
57.07074	2.4
65.03935	6.0
65.04246	1.4
67.05504	80.6
69.03430	33.0
69.07071	20.3
71.01366	1.8
71.04992	10.1
73.02908	3.1
77.03909	1.3
79.03893	1.3
79.05493	71.0
81.03418	100.0
81.07056	75.3
83.04984	19.4
83.08617	20.6
85.02914	19.3
85.06538	4.3
86.83486	1.4
91.05479	61.8
93.07042	66.7
95.04970	44.2
95.08604	44.4
97.02882	20.9
97.06509	9.3
97.10154	9.0
99.04452	6.6
99.08088	2.3
100.34623	1.3
103.03951	3.9
103.05474	2.3
105.04545	1.6
105.07030	51.9
107.04945	14.6
107.08591	33.9
109.02885	16.6
109.06514	8.8
109.10153	19.2
111.04448	12.0
111.08085	10.0
113.06011	2.2
115.05471	5.1
117.07018	19.3
119.04938	3.8
119.08587	41.0
121.06515	8.6
121.10149	33.7
123.04431	10.1
123.08050	6.6
123.11713	10.2
125.06039	1.7
125.09637	4.3
127.03907	11.4
128.06212	3.8
129.05493	3.9
129.06999	19.2
131.04904	3.0
131.08569	32.6
133.06502	5.8
133.10135	22.4
135.08040	7.5
135.11693	19.3
137.05965	3.3
137.09656	2.6
141.06992	5.3
142.07785	2.5
143.08568	9.7
145.06477	3.2
145.10126	19.6
147.04448	3.2
147.08060	6.0
147.11682	25.4
149.06029	2.7
149.09590	7.7
149.13255	6.4
151.11215	2.1
153.12700	2.6
155.08578	7.3
157.06549	2.8
157.10141	16.9
159.08078	2.0
159.11696	13.9
161.06003	1.8
161.09673	3.6
161.13336	5.4
163.03920	2.3
163.11179	8.4
165.12776	5.8
167.08592	2.7
169.10141	5.9
171.08119	2.7
171.11723	7.5
173.04498	5.7
173.06001	2.5
173.09633	4.7
173.13228	8.2
175.07545	2.3
175.11209	13.1
175.14833	2.2
177.12802	2.0
179.08517	1.9
181.10135	2.2
181.12253	2.0
183.11755	5.3
185.05984	2.4
185.09671	2.4
185.13293	5.1
187.11221	3.3
187.14847	4.6
189.09116	2.0
189.11305	1.6
189.12788	3.1
191.10735	4.1
193.12250	31.3
193.13858	2.5
195.11798	2.5
195.13724	1.5
197.09554	1.6
197.13303	2.7
199.11212	2.5
199.14865	2.6
201.12801	1.5
207.13844	2.2
209.11639	1.6
209.13365	3.0
211.07687	1.4
211.11331	2.9
211.13257	45.0
213.05615	1.6
213.12746	1.8
217.04936	1.6
217.12187	2.2
223.11348	1.4
227.12691	3.2
229.14276	2.6
231.13962	2.6
235.13248	10.8
243.21167	2.5
249.14795	2.5
259.13470	4.3
259.20670	3.5
261.22241	7.3
267.09186	3.6
267.15927	12.7
273.14948	6.1
277.21545	2.0
283.15390	1.8
285.10324	2.0
285.17047	9.1
287.20096	1.5
301.14316	7.0
301.21649	4.8
303.23260	2.0
309.17087	2.0
311.90363	1.4
313.21698	2.1
315.23264	1.6
317.24796	2.1
319.22949	2.4
327.23416	2.2
335.25815	25.7
337.16736	3.1
341.24963	2.4
351.23285	4.8
353.25119	1.9
355.17603	4.7
369.24200	11.2
375.18170	2.6
387.25534	5.5
393.19046	2.8
405.26599	1.7
411.20273	8.1
435.32611	1.7
443.28119	6.0
454.22467	2.9
454.72400	5.9
455.23257	2.5
461.29169	4.9
479.24030	1.7
479.74081	3.1
527.30402	1.9
527.37170	10.9
543.36554	2.1
545.37903	7.9
561.36334	1.8
569.38043	3.0
597.36523	1.8
611.39398	2.1
615.37701	1.9
635.39447	5.9
653.40497	10.9
654.40820	1.9
661.40955	2.1
671.41138	14.1
689.42462	73.2
690.42480	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	689.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.8
55.01868	7.7
55.05508	12.9
57.03432	4.4
65.03944	3.9
67.05501	24.9
69.03423	18.5
69.07066	9.7
71.04987	7.8
71.12233	7.5
79.05496	29.7
81.03420	28.6
81.07057	30.2
83.04979	10.7
83.08623	6.0
85.02924	12.6
87.05434	2.4
91.05473	34.1
93.07038	53.2
94.07375	3.0
95.04964	23.5
95.08611	39.6
97.02896	46.3
97.06526	13.4
97.10143	2.4
99.04461	11.9
103.05474	8.4
105.07030	72.9
107.04949	36.2
107.08595	68.1
109.02882	52.2
109.06505	17.4
109.10161	56.7
111.04436	55.0
111.08083	7.3
115.05421	5.2
117.07032	18.7
119.05001	4.0
119.08582	91.1
121.02857	6.3
121.06522	19.8
121.10139	32.3
123.04473	14.9
123.08049	20.0
123.11692	7.3
125.06000	6.6
127.03916	100.0
128.06201	7.2
129.07005	13.6
130.07825	4.2
131.08580	21.9
133.06491	28.6
133.10127	59.2
133.11076	4.2
134.10425	2.8
135.08051	40.1
135.11639	13.5
137.05972	5.1
137.09628	11.5
139.07501	4.1
141.06969	4.7
142.07759	7.1
143.08531	25.9
144.05688	4.2
145.04965	7.3
145.06454	12.9
145.10126	29.4
147.08051	44.4
147.11696	11.4
149.09618	21.3
149.13156	3.4
151.07449	4.4
151.11157	6.5
153.07004	4.0
155.08574	9.7
156.09364	5.3
157.06441	3.0
157.10118	19.2
159.08023	14.9
159.11687	16.6
161.06000	5.8
161.09622	49.0
161.13278	3.2
163.07494	12.4
163.11163	30.8
165.07036	3.6
165.09100	39.6
166.07790	8.5
167.07063	30.7
167.08426	4.8
169.06525	3.9
169.10129	6.9
170.07303	3.0
171.08073	8.5
171.11710	13.9
173.09619	8.3
173.13260	5.6
175.07568	4.5
175.11230	7.7
177.09105	4.3
179.10681	30.4
181.08594	25.4
181.10162	22.7
183.08052	4.6
183.11763	5.9
184.08820	5.0
185.09586	31.2
185.13206	4.8
187.07437	2.9
187.11189	4.6
187.14761	5.4
189.09120	28.0
189.12733	8.5
191.07086	3.5
191.10677	8.6
195.06531	4.1
195.08379	3.1
195.10176	9.5
195.11774	5.2
197.09555	7.3
197.13246	3.2
199.11171	75.1
199.14873	4.7
201.09152	2.9
203.10684	11.0
205.08575	4.2
205.12178	4.0
207.10175	43.9
209.11644	5.1
209.13399	2.9
211.14894	3.4
213.09418	4.0
213.11032	15.3
213.12990	4.3
215.10645	5.5
217.12209	39.3
219.13870	5.5
225.09195	4.2
225.11191	96.2
227.10666	3.1
231.13855	4.9
235.13269	9.0
237.11157	3.7
237.16434	5.9
243.10225	3.5
251.17874	5.2
255.17395	4.7
257.11597	3.2
259.13278	4.7
261.11310	2.9
267.12280	11.0
269.19156	5.0
275.12650	3.5
277.14297	3.6
279.12329	11.4
279.17377	3.3
287.20148	5.0
295.17020	3.5
297.18430	21.2
301.17880	3.4
303.12152	13.2
313.18106	4.6
315.19540	58.9
321.13354	46.8
331.19122	3.4
333.13608	3.8
333.20697	10.0
341.20953	3.6
351.14246	4.3
351.19440	3.8
357.20554	14.6
369.20541	14.3
375.21869	3.6
393.20511	3.7
395.22260	3.6
405.20602	8.5
411.21875	4.7
423.21484	19.6
441.22739	49.2
454.38849	3.6
459.23737	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18756	1.6
53.03944	8.0
55.01880	4.1
55.05505	9.5
57.03429	2.9
58.06886	1.7
65.03921	2.8
67.05505	25.0
67.51221	1.9
69.03130	1.8
69.03439	18.4
69.07076	10.8
70.50546	7.2
71.04980	6.2
72.22600	1.8
72.38047	1.9
73.06551	2.4
77.03933	2.2
79.05489	20.6
81.02985	2.3
81.03422	31.3
81.07056	26.0
83.04986	14.5
83.08607	3.7
85.02911	11.1
85.06567	2.7
86.80312	1.7
91.05478	25.1
93.07041	26.8
95.04968	14.0
95.08612	39.9
97.02898	35.9
97.06539	18.9
99.04436	9.4
103.05458	5.0
105.07030	52.7
107.04951	19.1
107.08596	49.6
109.02882	66.5
109.06518	13.9
109.10158	35.3
110.03184	2.9
111.03703	3.7
111.04442	59.8
111.08066	5.9
113.05992	2.7
115.03967	2.5
115.05455	4.6
115.78755	1.9
117.03347	2.9
117.07031	12.9
119.08580	66.9
120.08911	3.1
121.02879	3.7
121.06519	13.3
121.10139	27.1
123.04404	9.1
123.08066	12.3
123.11713	8.1
125.05994	3.9
125.09640	21.2
126.09948	2.1
127.03916	100.0
128.06192	3.6
129.07043	8.7
130.07823	2.2
131.04956	4.6
131.08569	18.7
133.06503	45.1
133.10133	47.2
135.04437	2.6
135.08043	25.0
135.11658	11.2
137.05972	6.3
137.09605	6.9
139.07573	2.7
141.06990	4.2
142.07803	5.0
143.08548	19.4
145.02803	8.7
145.04919	5.5
145.06474	8.0
145.10129	20.8
147.08049	27.1
147.11691	10.6
149.05975	4.5
149.09636	10.8
151.07565	4.5
151.11212	4.9
153.07001	2.2
154.07782	2.2
155.08572	4.2
156.09323	5.3
157.06482	3.0
157.10144	17.5
158.10847	2.0
159.08076	6.0
159.11690	19.0
161.05989	4.4
161.09641	34.5
161.13246	5.0
163.03918	3.3
163.07518	12.9
163.11179	16.0
164.11626	1.8
165.06973	3.5
165.09099	29.8
166.07727	3.2
167.07054	25.0
167.08556	4.4
168.09190	1.9
169.10126	10.5
170.10902	1.7
171.08041	6.7
171.11662	16.3
173.09676	9.3
173.13278	8.2
175.07608	2.9
175.11176	6.7
175.14862	3.7
177.05495	18.4
177.09102	2.7
178.05835	3.6
179.06978	1.9
179.08470	2.1
179.10666	17.5
181.08604	17.8
181.10132	11.6
182.10777	2.3
183.08070	2.7
183.11682	7.6
184.08875	2.3
185.09590	22.3
185.13290	6.2
187.07567	3.1
187.11179	7.8
187.14825	4.3
189.09120	24.4
189.12747	4.4
191.06976	2.8
191.10699	5.3
193.08617	7.1
195.06635	2.5
195.10088	4.5
195.11711	6.1
197.09644	5.9
197.13293	6.1
199.11156	31.3
199.14839	6.7
201.09113	4.6
201.12740	5.8
203.07097	2.6
203.10681	6.2
203.14351	5.0
205.08595	4.7
205.12244	2.5
207.10141	29.7
207.11792	3.0
209.13307	4.4
211.07553	2.0
211.11209	4.1
211.14828	5.2
213.09285	3.7
213.11095	18.5
213.12753	2.9
215.10596	3.5
215.14470	3.1
217.05130	2.2
217.12227	15.2
219.13869	6.9
223.09508	4.5
223.14874	2.1
225.09149	2.4
225.11201	63.2
225.13371	3.1
225.16154	2.5
226.11592	3.8
226.26950	1.8
229.12373	2.4
231.13826	3.9
233.11794	2.3
235.13087	3.2
237.10956	2.8
237.16426	4.2
241.12341	3.1
243.10170	3.6
245.11784	2.6
251.18004	5.4
253.15941	3.6
253.19666	2.8
255.13763	2.7
255.17339	8.8
257.11703	3.0
259.09827	2.4
259.13245	4.5
267.12201	6.3
269.19000	7.7
273.18375	2.2
279.12265	9.1
279.17474	6.7
285.11166	2.4
287.16501	2.6
287.20010	5.2
295.16943	5.6
297.13354	2.6
297.18509	25.2
303.12375	10.7
303.15445	1.8
311.95096	1.9
313.17966	12.9
315.15845	2.6
315.19537	52.4
321.13327	41.7
327.02112	2.4
331.19031	15.6
333.13254	5.9
333.20691	8.9
349.20026	3.0
351.14182	4.5
357.20575	5.9
369.20715	4.8
375.21539	6.4
383.37918	2.0
391.21103	3.6
393.20294	2.6
405.20688	7.9
411.21686	3.0
423.21625	15.1
441.22745	28.1
442.23492	2.2
457.22229	4.2
459.23642	25.2
475.23163	3.4
526.16528	2.1
689.24377	2.8
689.36877	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	689.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
53.10270	2.1
55.01873	5.3
55.05516	10.7
57.03429	3.0
57.07068	2.9
65.03950	2.0
66.29223	2.3
67.05505	20.3
67.29133	2.1
68.99808	2.2
69.03431	22.6
69.07070	14.4
69.40818	9.9
69.41251	10.5
71.04988	8.8
71.31355	2.2
72.86840	2.1
79.05500	17.3
81.03425	31.5
81.07056	23.3
83.04971	15.9
83.08619	5.9
85.02894	13.2
85.06541	2.5
91.05475	26.4
93.07045	27.2
95.04963	15.4
95.08604	37.3
97.02894	34.2
97.06540	16.5
97.10153	2.1
98.21570	4.0
99.04451	7.1
103.05469	3.1
103.06158	2.1
105.07028	47.9
107.04950	16.2
107.08601	47.3
109.02879	49.8
109.03599	3.9
109.06520	13.8
109.10157	39.8
111.04449	63.6
111.08068	10.1
113.05993	3.9
115.05460	2.4
117.07018	10.7
119.05016	3.7
119.08582	72.2
120.08939	2.3
121.02858	2.2
121.06496	15.7
121.10139	26.4
123.04426	10.5
123.08095	14.5
123.11702	9.2
125.05963	5.2
125.09634	20.3
127.03915	100.0
128.06277	3.6
129.05505	2.9
129.07021	7.5
130.07767	3.1
131.04947	2.8
131.08556	15.5
133.06485	45.6
133.07440	3.1
133.10127	50.3
135.08037	21.5
135.11714	12.2
137.06029	5.1
137.09598	10.8
139.03847	2.1
141.07002	5.7
142.07787	5.9
143.08568	12.5
145.04944	7.9
145.06493	6.2
145.10132	25.1
146.07216	3.0
147.04395	12.8
147.08041	30.3
147.11656	10.7
149.05948	4.5
149.09604	13.1
151.03914	5.3
151.07529	5.1
151.11177	5.2
154.07877	2.4
155.08524	6.1
156.09337	4.6
157.10152	16.7
159.08067	6.4
159.11700	19.8
161.05991	5.2
161.09616	30.3
161.13226	5.1
163.03847	3.0
163.07587	7.5
163.11154	14.5
165.05495	2.7
165.06972	3.2
165.09099	27.3
166.07854	2.6
167.07071	22.3
167.08458	3.2
169.05074	2.7
169.06471	2.5
169.10124	9.3
170.10864	2.2
171.08018	6.0
171.11703	22.9
173.09663	8.4
173.13216	10.4
175.07495	11.0
175.11234	4.7
175.14899	3.4
177.05463	4.4
177.09090	3.6
179.07048	6.1
179.10660	17.4
181.08598	18.7
181.10170	9.0
183.08060	3.9
183.11665	7.9
185.09610	17.0
185.13284	9.6
187.11220	7.2
187.14807	5.4
189.05496	9.8
189.09111	21.1
189.12807	4.7
191.07024	2.7
191.10678	4.3
193.05023	4.0
193.08649	3.9
195.10155	5.1
195.11739	5.2
197.08116	12.7
197.09712	4.6
197.13237	7.4
199.07507	3.6
199.11192	28.1
199.14851	6.4
201.09100	5.2
201.12833	4.3
201.16304	3.0
203.07001	8.9
203.10617	5.1
203.14316	2.3
205.08522	3.9
205.12334	3.6
207.10156	28.9
207.11859	3.7
209.11584	3.0
209.13309	5.0
210.77892	2.1
211.14830	4.6
213.11082	11.1
213.12930	5.2
213.16391	2.2
215.10672	6.5
217.04988	34.2
217.08524	3.4
217.12286	10.4
217.15910	2.7
219.10147	2.3
219.13882	6.4
221.08098	12.2
221.11626	2.7
223.09561	4.2
225.11174	57.8
225.16464	4.4
227.14322	6.1
229.12305	3.4
231.13757	3.5
235.05978	18.4
235.13177	2.9
237.16319	2.9
239.09122	24.1
241.12184	3.4
243.10229	3.7
243.13954	2.8
245.15427	5.8
251.17972	4.6
253.15787	3.1
255.17390	5.1
259.09665	2.8
259.13293	4.1
261.11066	4.4
263.09061	13.1
267.12180	6.4
269.18985	5.1
273.18716	3.4
279.12369	7.0
279.17432	4.8
285.11337	4.0
285.18503	10.8
287.09186	12.1
287.16455	3.9
287.20145	6.5
295.17206	3.4
297.18527	23.6
303.12317	9.9
303.19577	14.9
305.10233	9.2
313.18118	12.7
315.19565	49.2
321.13306	31.1
331.18985	34.3
332.19647	2.6
333.13104	4.2
333.20670	7.9
349.20181	7.5
351.14575	3.9
357.20712	3.9
369.20676	3.6
375.21713	4.0
391.21326	10.8
393.20462	3.1
405.20651	3.0
411.21457	3.5
423.21548	13.9
441.22714	25.5
457.21863	5.9
459.23740	23.2
475.23129	5.1
478.28305	3.0
565.24890	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01865	0.5
55.05514	1.2
57.03429	1.1
61.02926	3.4
62.02005	0.2
64.32321	0.2
67.05499	3.5
69.03421	2.1
69.07054	1.0
70.91967	0.5
70.92306	0.4
71.01376	0.3
71.04967	0.3
73.02911	2.6
79.05486	5.2
81.03410	2.6
81.07056	3.1
83.04987	0.7
83.08625	0.6
85.02900	3.6
91.03953	2.2
91.05469	4.1
93.07034	4.5
95.04958	2.3
95.08608	2.9
97.02886	3.0
97.06500	0.3
97.10178	0.4
99.04462	0.5
101.02388	1.2
103.03960	0.3
105.07017	2.9
107.04966	0.9
107.08585	1.9
109.02873	0.6
109.06532	0.8
109.10140	0.4
115.03871	0.3
117.07045	0.6
119.08558	2.2
121.06501	0.5
121.10184	0.3
123.08108	0.4
127.03920	1.0
129.07002	1.5
131.08511	0.3
133.10127	1.2
143.08586	1.0
145.10141	0.8
147.11688	3.4
161.09659	0.3
161.13280	1.3
163.11162	0.3
171.11671	2.1
185.04202	0.8
189.12770	0.5
203.05272	0.4
207.13779	0.6
243.08386	1.9
247.13029	2.7
247.68333	0.2
281.17484	0.6
303.15680	1.4
323.01721	0.3
330.40601	0.2
465.20947	16.2
466.21518	0.3
472.10187	0.3
485.06433	0.5
527.29987	0.6
607.24792	0.3
689.35034	100.0
690.35608	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	689.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01863	7.1
55.05514	7.2
57.03436	5.7
61.74471	2.0
62.77551	2.5
63.69235	2.2
65.03948	2.8
67.05502	21.8
68.99781	6.5
69.03426	25.2
69.07061	7.3
71.01363	2.9
71.04994	7.4
71.57131	4.0
73.02897	2.5
77.83437	2.2
79.05497	17.6
81.03420	24.9
81.07052	25.1
83.04974	8.2
83.08574	2.4
85.02906	20.6
88.70750	1.9
91.05478	24.0
93.07050	36.4
94.35655	2.1
95.04959	12.9
95.08608	29.2
97.02885	32.8
97.06540	8.8
99.04431	6.3
105.07030	48.4
107.04931	9.5
107.08591	49.7
109.02881	43.5
109.06520	13.7
109.10152	49.6
111.04442	25.1
111.08079	6.9
112.62951	2.5
115.05469	3.7
117.07049	11.6
119.04949	4.5
119.08582	69.1
121.02896	5.9
121.06521	14.4
121.10151	24.2
123.04429	14.2
123.08059	14.3
123.11700	9.7
125.09614	8.0
127.03922	100.0
128.06218	4.7
129.07016	9.8
131.04988	2.2
131.08549	15.4
133.06496	35.9
133.10126	45.9
135.04404	3.2
135.08054	24.3
135.11705	11.8
137.05994	8.7
137.09613	9.1
139.03912	3.2
142.07800	4.2
143.08556	18.4
145.04967	5.8
145.10110	17.8
147.04402	8.9
147.08037	24.4
147.11684	9.1
149.02382	3.8
149.06012	4.0
149.09659	12.7
151.03923	19.5
151.11183	7.2
153.01834	80.6
155.08534	4.0
156.09337	3.9
157.06503	2.6
157.10159	10.8
159.08054	6.0
159.11685	11.9
161.05977	5.0
161.09622	35.4
163.03917	18.0
163.07523	4.6
163.11151	17.1
165.05461	8.8
165.06914	3.0
165.09117	33.4
169.04988	9.4
169.10071	6.8
171.02887	10.9
171.08028	4.6
171.11690	10.9
173.09622	6.4
173.13313	6.1
175.03842	2.9
175.11183	8.1
177.01782	12.5
177.05511	5.0
179.10669	24.5
181.10167	8.3
181.12204	3.1
185.09610	14.6
185.13242	4.1
187.03951	3.3
187.11221	7.3
189.05498	15.3
189.09059	22.8
189.12726	3.5
191.03415	11.6
191.10677	5.5
193.04951	33.4
195.02898	39.6
195.04736	3.5
195.05084	2.2
195.06593	24.9
195.11703	4.6
197.09764	3.7
197.13240	2.7
199.11189	32.2
199.14886	2.7
203.10753	2.7
205.04999	3.7
205.12288	4.3
207.06517	4.1
207.10155	27.3
209.13379	4.6
213.07564	28.3
213.12668	3.8
215.03415	5.5
215.06973	3.3
217.04985	51.1
217.12267	18.2
219.02924	17.5
219.06427	18.7
219.13818	5.4
225.11214	66.3
231.06537	4.4
233.08020	3.1
235.06013	54.9
235.13177	3.7
237.07547	18.5
237.16360	2.8
241.19580	2.8
243.02785	4.7
251.17891	3.7
255.08665	9.4
255.17674	3.8
257.08133	6.3
259.06042	7.9
261.04016	6.9
261.07584	20.5
267.12262	24.2
269.18985	6.7
277.07013	5.1
279.08670	11.5
285.07605	19.1
285.18442	2.6
287.09113	3.5
287.19977	4.9
297.18451	16.5
303.08588	15.1
313.17932	4.5
315.19562	51.9
321.09723	5.8
331.19040	7.0
333.13382	3.8
333.20609	5.8
339.10358	3.7
349.20224	3.1
351.14432	4.8
357.20636	8.4
369.20575	7.5
375.21671	10.2
393.20764	3.0
405.20999	2.4
423.21664	7.2
441.22845	21.6
459.23691	12.0
483.35553	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96885	2.6
53.03949	7.1
55.01863	4.4
55.05513	8.6
57.03419	5.0
59.05013	3.8
60.41833	2.5
65.03924	3.5
67.05499	24.7
68.99786	6.4
69.03427	21.7
69.07055	7.2
71.04979	4.1
71.60255	3.7
71.60667	3.9
79.05491	18.5
81.03415	32.0
81.07055	26.8
83.01342	4.2
83.04981	10.9
83.08617	3.6
85.02897	16.7
91.05482	30.9
93.07046	36.1
95.04988	14.4
95.08601	28.5
97.02888	28.5
97.06518	9.3
99.04453	7.8
105.03381	4.0
105.06379	5.5
105.07025	53.4
107.04955	12.9
107.08601	55.1
109.02874	46.4
109.06506	16.6
109.10152	41.5
111.04457	27.1
111.08096	5.9
117.07012	8.5
118.24696	2.7
119.04913	4.1
119.08585	67.1
121.02872	6.1
121.06541	16.0
121.10149	24.2
123.04427	14.1
123.08044	10.6
123.11673	10.4
125.06003	5.5
125.09621	11.8
127.03923	100.0
128.06183	2.9
129.06992	9.6
131.08549	11.7
133.06491	29.2
133.10127	47.9
135.08047	24.6
135.11679	11.2
137.05975	7.2
137.09576	10.5
139.03973	2.9
143.08522	14.9
145.04979	8.4
145.06494	5.4
145.10168	17.5
147.04416	9.3
147.08044	29.2
147.11685	9.1
149.05997	5.1
149.09616	10.1
151.03864	14.7
151.11162	6.7
153.01820	62.8
155.08449	4.2
157.10133	13.9
159.08064	4.7
159.11696	9.9
161.06004	8.8
161.09610	30.0
161.13206	5.7
163.03917	6.7
163.11211	21.1
165.05560	3.5
165.09125	29.3
166.07823	5.1
169.04999	5.8
169.10150	3.9
171.02872	8.8
171.04300	3.4
171.08051	4.0
171.11697	9.6
173.09624	6.1
173.13251	5.9
175.07567	3.4
175.11166	5.7
177.01857	8.7
177.05408	4.9
179.07114	3.9
179.10648	23.4
181.10117	8.7
185.09621	12.3
185.13336	4.2
187.11206	4.9
187.14835	4.1
189.05449	12.8
189.09100	20.7
189.12732	5.2
191.03412	9.5
193.04970	33.4
195.02882	32.3
195.06587	19.3
195.11641	6.3
199.11186	37.5
199.14726	3.6
203.10660	7.0
205.12070	3.2
207.06450	3.9
207.10121	28.2
209.11597	4.3
209.13347	4.6
211.06070	3.2
213.07555	23.8
214.23529	3.3
215.03339	5.4
217.04979	42.5
217.12230	21.7
219.02924	20.0
219.06526	12.8
225.11205	69.2
233.04405	4.2
233.07988	4.2
235.06038	44.4
237.07520	14.0
249.11230	3.2
251.18088	4.1
255.08636	5.2
255.17467	3.5
259.05957	6.4
261.03989	7.3
261.07553	19.9
267.12280	22.0
269.18936	4.6
279.08600	8.6
279.17517	4.1
283.15424	10.4
284.15744	9.6
285.07556	12.4
285.18411	3.9
287.20081	5.9
295.16898	3.3
297.18558	18.4
303.08557	16.2
313.17950	4.4
315.19598	41.4
321.09705	5.8
331.18903	7.8
333.13266	6.4
333.20651	6.4
351.14529	4.5
357.20456	3.8
369.20743	3.8
375.21649	11.9
391.21097	6.0
423.21741	8.2
441.22617	24.2
449.89255	3.8
457.22394	5.4
459.23898	7.5
492.26788	9.3
601.56085	3.0
689.37561	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	689.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.01850	5.5
55.05511	7.9
57.03440	4.4
65.03931	2.5
67.01858	3.1
67.05509	29.2
68.99786	7.3
69.03432	21.4
69.07058	12.1
70.33421	11.3
71.04986	5.6
79.05494	21.4
81.03426	26.5
81.07056	30.6
83.01346	3.7
83.04969	9.0
83.08585	2.7
85.02909	17.6
85.06532	2.6
89.04814	2.2
91.05485	32.7
93.07044	50.4
95.04974	20.5
95.08622	34.3
96.01731	2.3
97.02899	34.6
97.06536	8.5
99.04459	7.1
103.05437	2.4
105.07037	64.3
107.04953	11.4
107.08589	59.1
109.02883	60.6
109.06540	14.2
109.10157	62.0
111.00781	2.8
111.04443	20.9
111.08083	8.6
113.05993	2.9
115.05447	4.6
116.53780	2.6
117.07014	12.5
119.04908	4.7
119.08593	73.4
119.09464	3.6
121.02898	4.3
121.06503	12.7
121.10161	24.3
123.04443	19.6
123.08075	13.7
123.11717	7.5
125.06046	3.1
125.09636	3.2
127.03922	100.0
129.07034	13.0
131.08577	18.5
133.06531	15.6
133.10129	53.1
135.04489	3.0
135.08046	27.2
135.11726	13.9
137.05966	5.4
137.09602	9.3
139.03903	7.1
141.06979	4.1
142.07764	4.9
143.08566	19.0
145.04965	6.6
145.06483	5.5
145.10132	22.8
147.04407	17.4
147.08058	27.7
147.11681	9.6
149.02400	4.4
149.05966	4.0
149.09622	13.0
149.13246	4.8
151.03914	15.0
151.07550	4.1
151.11191	7.0
153.01836	56.1
153.09079	3.4
155.08531	5.5
156.09341	3.0
157.06493	4.0
157.10190	12.3
159.08109	4.4
159.11716	10.3
161.05997	6.8
161.09639	34.8
161.13248	3.6
163.03920	10.5
163.07571	4.8
163.11168	16.6
165.05482	7.1
165.09102	31.2
167.07100	2.7
169.04941	7.2
169.10081	6.1
171.02885	9.6
171.08047	5.2
171.11716	14.2
173.09645	5.8
173.13281	5.9
175.03973	4.2
175.07559	7.2
175.11157	6.7
175.14896	4.5
177.01831	10.1
177.05470	5.3
177.09163	3.1
177.12726	4.6
179.07048	3.1
179.10716	25.9
181.08722	2.7
181.10132	9.7
183.11690	6.8
184.08818	2.6
185.09596	14.3
185.13284	3.4
187.11195	7.3
187.14851	4.2
189.05533	16.6
189.09137	23.7
189.12743	5.8
191.03383	9.8
191.10666	2.8
193.04988	32.1
195.02879	27.1
195.06529	20.8
197.08086	8.9
197.09694	3.2
197.13242	5.1
199.11185	36.5
199.14948	3.4
201.12769	3.1
201.16345	5.3
203.06995	5.6
203.10648	4.6
207.06549	4.8
207.10155	30.3
209.13345	4.0
211.11232	3.4
211.14771	5.0
213.07489	17.3
213.12885	3.0
215.03439	3.6
215.10686	4.4
217.04977	70.9
217.12201	18.4
219.02937	11.1
219.06497	17.1
221.08037	7.4
225.09036	4.4
225.11223	75.5
225.16348	3.4
229.12248	2.9
231.06561	3.6
233.04341	3.2
235.06007	48.0
237.07510	12.4
239.09174	15.4
243.03030	2.9
249.11234	3.9
255.08743	7.8
255.13721	3.9
257.08145	3.5
259.06049	5.5
261.04031	4.5
261.07614	19.2
263.09204	10.2
267.12198	20.1
267.17343	5.7
271.16922	6.0
275.88403	2.7
279.08664	8.1
280.78003	2.9
285.07581	13.7
285.18585	12.8
287.09137	12.3
289.17929	12.6
295.16986	3.4
297.18503	9.2
303.08530	13.8
303.19638	18.9
305.10339	6.3
313.18042	11.5
315.19632	26.1
321.09631	6.9
331.18939	13.7
333.13358	4.2
341.21082	2.7
349.20215	27.9
351.14185	3.2
357.20547	7.6
369.20685	4.6
375.21564	7.8
391.21234	12.6
393.20648	2.7
395.21939	2.4
423.21655	8.5
433.91681	2.6
439.21555	3.1
441.22720	20.7
457.22287	16.6
459.23801	7.9
469.93625	2.6
475.23190	8.5
549.24805	3.6
655.44574	2.6
689.29779	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	689.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01871	1.8
55.05493	3.6
57.03426	1.0
59.26590	1.1
65.03934	2.2
67.05492	2.3
68.99790	3.9
69.03419	2.7
69.07050	3.3
69.49413	7.3
71.04981	3.9
79.05492	4.3
81.03412	14.3
81.07052	7.9
83.01327	1.3
83.04969	2.5
83.08609	2.1
85.02884	3.4
91.05469	4.8
93.07027	6.5
95.04977	3.6
95.08606	13.7
97.02883	4.0
97.10147	3.1
99.04423	2.7
103.05453	2.2
105.07014	8.8
107.04965	1.1
107.08599	6.7
109.02876	44.0
109.06512	4.4
109.10152	5.6
111.04428	7.3
111.08062	7.8
113.05987	3.7
115.05421	1.2
117.07018	2.1
119.04946	1.6
119.08580	11.6
121.06493	3.5
121.10120	5.7
123.04411	7.0
123.08080	2.7
123.11658	1.3
125.05933	1.0
125.09622	4.3
127.00042	1.8
127.03909	100.0
129.06993	2.6
131.08553	3.8
133.06442	3.0
133.10138	10.7
135.04260	1.1
135.08081	2.5
135.11685	1.5
137.05968	2.9
137.09592	1.3
139.03888	21.1
141.15459	0.9
143.08542	3.2
145.06543	1.7
145.10092	5.8
147.04410	7.3
147.08025	7.0
147.11705	2.0
149.05931	1.6
149.09593	2.1
151.03918	3.7
151.07527	1.7
153.05415	2.7
155.03357	1.1
155.08482	1.7
157.10136	4.8
159.08081	2.4
159.11673	5.7
161.06012	6.0
161.09604	7.3
161.13315	1.8
163.03917	4.4
163.07545	2.5
163.11153	1.4
165.05473	3.5
165.09094	2.4
169.04994	1.7
169.10101	2.5
171.04449	1.2
171.11693	2.7
173.09584	3.2
173.13257	1.6
175.07526	6.7
175.11151	2.1
175.14845	1.6
177.05508	1.5
177.09096	3.3
177.12775	1.3
179.07037	4.4
179.10664	2.0
183.11746	2.1
185.09607	2.3
185.13174	1.9
187.11145	2.4
187.14821	2.1
189.05478	15.5
189.09077	7.4
189.12729	1.6
191.10672	2.2
193.04915	7.3
193.08569	1.8
197.08087	7.2
197.13260	1.5
199.11223	1.3
199.14734	1.7
201.09180	1.8
201.12701	1.7
201.16341	1.1
203.07053	5.9
203.10658	4.7
205.08688	1.7
205.12152	1.4
207.06734	1.1
207.10146	3.6
211.11243	1.5
211.14687	1.1
211.43224	1.2
213.08931	1.1
215.10655	4.3
217.04951	49.8
217.12163	2.0
221.08124	6.7
223.14893	1.3
225.16298	2.7
229.19572	1.3
231.38570	1.1
233.08020	1.2
233.11630	1.3
235.05974	22.0
235.09538	1.4
239.09091	9.9
239.17834	1.2
243.13893	1.3
243.17377	1.8
253.15703	1.4
261.11276	1.3
263.09167	5.3
265.10721	1.6
267.17505	2.5
271.16833	3.2
285.18405	6.6
287.09241	5.7
295.16852	3.2
303.19568	1.4
305.10223	4.8
313.17902	7.2
331.19101	11.6
349.20062	50.0
373.19894	1.9
391.21118	79.3
392.21237	2.4
439.21167	2.8
441.25980	5.6
451.23459	8.3
451.29163	1.8
457.22171	26.3
475.23282	19.0
475.29697	2.0
476.24005	1.4
514.29309	1.1
565.24188	11.7
573.26501	2.0
583.25360	2.5
635.28040	2.2
689.31299	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	689.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.05500	1.3
57.03428	1.9
67.05484	2.9
69.03426	8.8
69.07062	1.7
69.60220	2.5
69.60651	3.1
70.06590	1.0
70.59087	0.6
71.04970	2.6
73.02893	2.0
79.05492	4.8
81.03412	17.6
81.07039	6.8
83.04971	2.3
85.02908	3.5
91.05482	8.3
93.07030	8.8
93.50629	0.6
95.04950	2.8
95.08606	7.3
97.02885	19.2
97.06516	0.8
99.04478	3.6
105.07030	12.9
107.04953	1.9
107.08591	14.6
109.02873	100.0
109.06519	5.9
109.10159	4.6
110.03211	0.7
111.04438	2.7
111.08070	5.6
113.05963	1.2
115.03929	1.4
115.05388	0.7
117.07038	2.0
119.08567	29.6
121.06488	2.5
121.10142	9.6
123.04379	1.0
123.08056	9.0
123.11700	4.2
124.08864	0.9
125.09625	67.6
127.03909	65.8
127.04940	0.6
128.04227	0.8
128.06183	0.8
129.05467	0.7
129.06987	1.0
131.04929	0.9
131.08549	2.1
133.06479	1.8
133.10127	26.0
135.04417	1.4
135.08046	1.5
135.11688	4.0
137.05942	1.9
137.09564	3.6
143.08565	3.9
145.02841	1.4
145.04951	8.8
145.06078	0.9
145.10127	2.5
147.04433	1.5
147.08035	15.8
147.11703	1.0
149.05905	0.8
149.09604	1.1
151.07564	1.3
151.11162	3.2
153.01903	0.7
159.08073	0.9
159.11691	1.5
161.09601	18.2
163.03893	13.1
163.11177	3.0
165.09111	16.8
171.08072	1.0
171.11731	0.8
175.11168	1.0
179.10663	15.1
183.11801	0.7
187.07732	0.6
189.09081	16.1
198.49117	0.7
207.10156	21.2
215.10683	0.9
225.11203	43.8
229.15869	1.0
233.84218	0.7
237.03021	0.8
249.11293	1.3
267.12244	3.2
269.11618	0.8
271.16858	1.3
285.18372	1.0
287.12677	0.9
289.17963	2.4
297.13409	1.0
303.19525	1.2
305.10248	0.8
313.18030	3.1
315.12415	1.6
331.18997	12.0
333.13348	5.6
349.20059	16.0
351.14349	10.5
367.21298	1.3
391.21188	7.4
411.21890	0.8
421.22043	2.5
436.21475	0.7
439.21103	1.9
457.22195	24.1
458.22522	0.9
475.23242	17.8
493.24265	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
55.01873	3.3
55.05510	4.8
56.52146	1.3
57.03424	5.1
65.03931	2.8
67.05504	12.0
68.99788	4.0
69.03429	17.2
69.07053	6.4
71.04993	11.2
73.02921	2.4
79.05492	15.6
81.03414	35.5
81.07053	15.1
82.03772	1.4
83.04980	6.8
83.08607	4.5
85.02917	11.8
85.03348	1.7
85.06526	2.4
91.05489	27.5
93.07047	26.4
95.04977	11.2
95.08598	17.4
97.02894	33.4
97.06532	5.2
98.03705	2.0
99.04447	6.6
103.05444	4.2
105.07030	80.4
106.07362	1.9
107.04947	7.3
107.08594	71.9
109.02879	96.9
109.06519	19.5
109.10166	10.6
110.03178	2.3
111.04440	11.4
111.08084	6.4
113.06011	2.9
115.03925	3.0
115.05479	2.5
117.07021	5.7
119.04931	3.9
119.08588	65.0
120.08887	3.4
121.06528	10.3
121.10146	13.1
122.10357	1.7
123.04443	18.2
123.08056	19.1
123.11717	8.8
125.06003	2.7
125.09639	15.7
126.09985	2.3
127.03920	100.0
128.04233	3.2
128.06223	2.6
129.05458	2.0
129.06996	10.7
131.08594	8.5
133.06496	72.3
133.10130	47.3
135.08044	4.8
135.11688	7.0
137.05978	6.4
137.09601	9.8
139.03885	6.4
141.06975	2.7
143.08586	12.0
145.04944	4.5
145.06506	3.6
145.10115	11.3
146.07204	2.3
147.04387	8.2
147.08055	33.7
147.11681	3.4
148.08673	2.1
149.06023	2.6
149.09595	2.2
150.06757	1.9
151.03903	4.2
151.07556	8.0
151.11169	5.5
153.06915	1.8
154.07764	4.2
155.08578	4.5
157.10135	9.6
159.08034	4.1
159.11710	5.6
161.05989	6.4
161.09630	33.2
161.13347	2.1
163.03906	4.7
163.07570	3.6
163.11154	5.6
165.05492	4.6
165.09122	45.2
166.09538	1.7
167.07028	1.8
167.08524	2.1
169.10147	6.4
171.08037	3.0
171.11681	4.9
173.09579	3.5
173.13257	3.4
175.07550	7.0
175.11151	3.0
177.05478	3.6
177.09166	2.0
179.03461	3.0
179.07098	13.9
179.08426	2.6
179.09218	2.3
179.10686	25.7
181.10114	1.9
181.12221	2.0
183.08022	2.3
183.11726	3.6
185.09605	6.1
185.13263	3.7
187.11160	2.1
187.14772	2.4
189.05545	10.0
189.09100	25.7
193.04984	8.4
193.08618	11.1
193.12180	2.2
194.09058	2.7
197.08084	34.4
197.09674	9.2
197.13310	2.1
199.11124	1.9
201.09222	2.2
201.12796	3.3
201.16441	1.7
203.06999	5.2
203.10733	2.8
207.10153	44.4
207.11996	2.5
211.14912	2.0
213.09109	2.4
213.12921	2.0
215.10701	4.6
217.04959	24.4
221.08083	8.6
225.11214	95.7
225.16360	3.6
226.11479	2.2
227.14417	2.5
229.12280	3.2
233.11494	1.8
235.06015	12.7
239.09052	10.4
241.08603	3.8
249.11165	4.3
249.16382	3.3
259.09677	3.8
263.09152	9.8
267.12289	22.8
267.17511	5.2
268.16217	1.6
271.16888	2.6
277.16104	2.6
283.15350	2.8
284.15796	2.3
285.18405	4.4
287.09079	7.5
295.16959	8.0
303.19550	11.7
305.10065	5.7
313.18027	23.8
323.11270	4.0
331.19025	27.1
333.13254	10.2
349.20361	2.6
351.14337	4.0
359.13748	1.7
361.45340	1.7
373.20181	5.4
421.20123	2.7
439.21103	5.5
457.22342	9.0
458.22867	2.3
459.27643	3.7
460.27731	4.8
475.23013	4.7
477.28494	2.0
478.28653	3.3
671.31335	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03944	3.4
54.82351	0.7
55.01868	1.1
55.05510	3.5
57.03436	1.6
59.04991	0.9
65.03922	0.7
67.05505	5.6
68.99795	1.4
69.03428	7.8
69.07066	2.5
70.99554	1.7
70.99883	0.7
71.01344	0.6
71.04985	3.2
71.20156	0.7
73.02930	1.2
75.55262	0.6
79.05489	7.5
81.03421	21.0
81.07055	9.1
82.07365	1.0
83.04982	3.5
83.08614	2.4
85.02892	4.0
85.06519	1.0
88.44518	0.7
91.05482	11.0
92.05816	1.1
93.07053	14.1
95.04984	4.6
95.08614	9.5
97.02892	14.5
97.06509	2.0
99.04459	3.7
103.05505	0.8
105.03312	0.7
105.07033	14.7
107.04956	1.8
107.08594	12.2
108.08913	0.7
109.02881	100.0
109.06522	7.7
109.10166	3.3
110.03097	0.8
111.04468	3.1
111.08102	4.9
112.36830	0.8
113.06007	2.1
115.03932	1.0
117.07045	1.1
119.08585	32.0
121.06498	2.2
121.10151	11.0
123.04447	12.8
123.08065	11.2
123.11718	2.7
125.09632	75.8
126.10003	0.7
127.03918	65.4
128.06236	0.9
129.07007	2.1
131.08536	2.3
133.06476	1.7
133.10132	30.8
134.10553	0.8
135.08022	1.2
135.11707	3.5
137.05994	2.2
137.09619	3.5
139.03873	2.0
143.08548	4.9
145.04971	8.3
145.10103	3.7
146.07181	0.9
147.08051	14.6
147.11636	1.7
148.12007	1.1
149.09601	0.7
151.03951	1.0
151.07562	6.6
151.11191	3.7
155.03421	1.5
157.10138	1.4
159.11696	1.3
161.05954	1.3
161.09633	16.2
161.13280	0.8
163.03918	1.0
163.11224	2.9
165.05492	0.9
165.09119	18.5
168.03703	0.7
169.10043	0.9
171.08066	0.9
171.11732	1.7
173.13329	0.8
175.11183	1.1
175.62370	0.7
179.07063	9.1
179.10670	14.0
187.14951	1.0
189.05426	3.4
189.09122	13.3
189.12646	0.9
191.10635	1.1
193.05023	2.6
193.12210	2.0
197.08093	23.6
207.10179	23.3
207.13826	0.9
208.14304	0.8
211.13217	1.6
217.04980	11.1
225.11214	41.7
226.11554	0.9
231.13635	0.7
235.06017	5.2
239.09167	1.6
249.11214	1.2
253.15991	0.9
259.09857	0.8
263.09174	0.8
267.12317	7.6
267.15909	1.2
268.16190	1.3
270.44559	0.8
271.16913	1.7
281.17444	1.8
282.18039	1.6
285.16855	0.9
285.18365	0.7
286.17484	1.3
287.09171	1.2
289.17990	3.6
295.17068	1.0
313.17990	2.6
315.12329	2.1
331.19061	14.3
333.13440	4.4
349.20139	12.6
351.14325	8.5
367.21130	1.0
391.21063	7.2
421.22083	1.2
439.21121	1.9
457.22202	16.8
473.28781	1.6
474.29218	5.3
475.23254	11.1
491.30060	1.7
492.30322	4.6
523.25616	0.8
543.85699	0.7
544.98169	0.8
545.27234	0.8
673.74261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
53.81983	1.0
53.88764	1.0
55.01872	1.7
55.05514	7.0
57.03444	2.3
67.01859	1.4
67.05498	6.9
68.99789	4.2
69.03429	8.9
69.07069	5.7
70.63505	2.6
70.63844	2.1
71.04985	6.7
79.05482	6.0
81.03426	14.0
81.07048	10.3
83.01318	1.7
83.04977	4.7
83.08616	2.6
85.02907	3.5
85.06531	1.4
91.05475	10.2
93.07048	10.7
95.04967	5.1
95.08599	15.6
97.02895	22.3
97.06532	3.5
97.10171	1.4
99.04443	3.2
102.55740	1.1
103.05484	2.4
105.03388	1.3
105.07040	17.4
107.04944	3.1
107.08596	17.8
109.02881	38.4
109.06515	7.7
109.10126	7.8
111.00811	1.2
111.04427	4.5
111.08076	6.0
113.05998	6.1
113.70995	1.3
115.05431	2.4
117.07018	4.0
119.04966	1.7
119.08578	32.6
121.06508	6.2
121.10145	10.9
123.04414	15.0
123.08060	14.1
123.11733	2.7
125.05965	1.5
125.09634	34.0
127.03915	100.0
128.04268	2.1
128.06233	1.8
129.06972	2.3
131.04994	2.3
131.08560	4.6
133.06476	4.2
133.10130	23.7
135.04449	1.3
135.08070	3.5
135.11699	4.2
137.05971	5.4
137.09595	2.8
139.03883	4.9
142.07780	1.4
143.08554	5.3
145.04944	2.9
145.06339	1.3
145.10153	7.6
147.04433	8.8
147.08040	13.9
147.11726	4.8
149.02359	1.8
149.06017	2.7
149.09624	3.7
151.03885	5.5
151.07526	7.2
151.11180	3.4
155.03470	2.5
155.08565	2.4
157.06451	1.4
157.10132	5.1
159.08061	3.8
159.11665	3.4
161.05959	4.8
161.09616	17.9
161.13316	1.3
163.03891	2.9
163.07553	2.5
163.11182	4.5
165.05479	4.8
165.09108	12.8
169.05000	1.7
169.10124	3.7
171.08163	1.3
171.11685	4.4
173.09616	3.3
173.13283	3.0
175.07539	6.0
175.11221	3.8
175.14819	1.7
177.05476	3.1
177.09081	3.3
179.07072	11.0
179.10634	8.0
183.11734	4.1
185.09634	3.5
185.13269	3.4
187.11198	3.9
187.14774	1.9
189.05476	10.7
189.09103	12.1
191.03398	1.2
191.10669	2.0
191.14220	1.6
193.04976	7.9
197.08072	33.3
197.09711	2.7
197.13240	2.9
198.08437	1.5
199.11061	2.2
201.12657	1.9
203.06992	5.4
203.10756	2.1
207.10150	12.5
207.11844	1.8
211.11163	2.9
211.14796	3.0
213.12819	2.5
215.10704	2.5
217.04968	39.0
217.08403	2.1
218.05318	1.8
221.08136	8.4
225.11189	21.5
225.13287	1.2
225.16422	4.0
226.11378	1.5
227.14264	3.8
229.12270	2.2
229.15872	1.9
235.06013	26.6
239.09103	13.9
239.17946	1.5
241.08574	1.8
243.13794	1.6
243.17493	1.8
253.15779	2.1
257.18973	2.0
263.09155	10.1
267.12311	2.4
267.17477	5.4
269.08157	1.1
271.16858	2.2
285.18527	9.6
287.09290	6.9
287.16473	1.4
289.18082	1.7
295.16898	5.2
303.19565	11.8
305.10165	6.6
313.17984	14.3
314.18201	1.6
315.12057	1.6
331.19003	24.5
333.13437	2.9
349.20117	20.1
351.14383	2.1
373.20062	1.9
387.09033	1.4
389.91681	1.2
391.21109	18.3
404.41406	1.3
411.21704	1.6
421.20224	2.8
439.21082	4.7
451.23221	4.0
457.22226	15.8
475.23364	19.3
493.24460	3.7
498.24374	1.2
514.75616	1.3
565.24054	5.3
583.25116	4.1
689.30865	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.9
53.03944	3.7
55.01857	2.2
55.05509	2.2
57.03425	1.9
57.07081	0.9
65.03930	1.0
67.05497	4.9
68.99786	1.9
69.03436	10.3
69.07072	2.9
70.84986	1.1
70.85307	1.3
71.05003	5.5
73.02912	1.3
79.05486	4.9
81.03419	22.6
81.07063	9.9
83.01349	1.8
83.04991	4.1
83.08617	0.7
85.02912	5.2
91.05476	9.0
93.07040	12.1
95.04982	4.3
95.08606	9.3
97.02897	19.0
97.06546	2.5
99.04467	4.7
101.39751	0.7
103.05457	0.9
105.07041	18.6
106.92545	0.8
107.04945	2.8
107.08596	16.0
109.02885	100.0
109.06503	7.6
109.10166	5.9
111.04456	7.4
111.08117	7.1
112.71081	0.7
113.06013	2.0
117.07039	1.3
119.08585	34.6
121.06550	4.8
121.10148	12.9
123.04452	10.8
123.08080	12.5
123.11697	3.5
125.05997	1.4
125.09634	71.4
126.10025	1.0
127.03922	78.5
128.04303	1.3
129.06989	1.1
131.08559	1.7
133.06509	6.3
133.10133	31.8
135.08058	3.4
135.11708	4.5
137.05969	2.3
137.09599	4.4
139.03903	3.0
139.07532	1.0
143.08542	5.9
145.04979	8.6
145.06477	1.6
145.10123	6.0
147.04440	3.5
147.08052	19.0
147.11674	1.7
149.06001	1.0
149.09637	2.3
151.07568	6.3
151.11232	3.4
155.03464	1.3
157.10136	2.5
159.08066	1.3
159.11699	3.5
161.05971	2.4
161.09630	20.7
161.13225	1.0
163.03972	1.0
163.07558	2.1
163.11169	3.7
165.05461	1.6
165.09129	20.4
167.07010	2.1
169.10118	1.7
171.08034	1.9
171.11708	3.0
173.09650	1.4
173.13290	1.4
175.07593	2.2
175.11223	1.9
177.05553	1.5
177.09094	1.0
179.07059	9.0
179.10669	15.5
181.08691	1.0
183.11716	1.7
185.09659	1.7
185.13252	1.8
187.11287	2.2
187.14857	1.0
189.05495	5.3
189.09108	14.5
189.12723	0.9
191.07047	0.8
191.10773	1.1
193.04880	3.5
193.12051	1.0
197.08105	21.1
197.09500	1.0
197.13211	1.6
199.11244	3.0
201.09103	0.8
205.08549	1.5
207.10173	22.0
207.12032	1.2
209.13292	0.9
211.15013	0.9
213.11087	1.0
215.10973	0.8
217.04968	17.2
217.12180	1.4
219.10208	1.0
221.08101	1.5
225.11218	44.6
226.11621	1.3
229.15849	1.3
233.08121	0.8
235.05978	7.4
239.09058	3.4
243.13731	0.8
249.11240	1.3
251.80745	0.8
253.15871	1.1
255.17390	1.0
263.09311	2.2
267.12320	8.1
267.17355	1.7
269.19189	1.4
271.17007	2.0
279.12375	1.4
283.15457	1.0
285.18573	2.8
287.09186	1.9
289.17850	3.6
295.16928	1.5
297.18518	2.3
303.12079	1.0
303.19705	1.4
305.10159	2.6
307.60403	0.9
313.18063	4.8
315.12344	1.5
315.19504	5.1
317.15125	1.3
321.13425	2.6
331.19070	15.9
333.13446	5.6
341.72583	0.8
349.20111	14.9
351.14447	7.5
373.20047	1.1
391.21216	11.1
395.53906	0.8
411.21683	0.7
421.22321	1.7
423.21594	1.1
439.20795	1.3
441.23032	2.2
451.23508	1.1
457.22314	17.0
459.23935	1.0
475.23248	11.6
475.42749	0.7
493.24283	0.8
522.86066	0.7
545.27277	1.7
565.24426	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01873	1.8
57.03450	1.2
59.05026	1.0
62.08089	0.9
67.05507	3.0
68.03345	1.1
68.99789	3.3
69.03433	8.4
69.07055	2.0
69.27678	12.4
70.27645	0.9
71.04993	2.9
79.05499	5.5
81.03418	19.5
81.07060	6.2
82.98953	1.1
83.04989	2.3
83.22904	1.2
85.02906	1.7
89.83570	1.1
91.05482	7.9
93.07053	11.1
95.04971	3.7
95.08607	7.9
97.02892	17.6
99.04445	3.3
105.03427	1.4
105.07034	15.8
107.04984	1.9
107.08602	13.1
109.02883	100.0
109.06538	8.6
109.10152	3.9
111.04436	2.4
111.08103	5.5
113.05996	1.4
115.03933	1.5
115.05372	1.3
117.07011	2.3
119.04977	1.1
119.08582	37.6
121.06540	3.5
121.10145	11.7
123.04447	3.6
123.08081	10.8
123.11723	4.1
125.09637	81.4
127.03920	65.1
128.06203	1.3
129.06987	1.2
133.06494	2.1
133.10138	34.4
135.08026	1.7
135.11713	4.3
137.06010	3.1
137.09645	4.5
137.15793	1.2
138.35822	1.1
139.03899	1.4
139.07568	1.0
143.08577	4.8
145.04990	8.3
145.06107	1.0
145.06487	1.0
145.10051	2.2
147.04391	6.1
147.08051	22.2
149.06009	1.7
151.03906	3.4
151.07570	2.8
151.11148	5.1
159.08099	1.1
159.11620	1.2
161.06030	3.9
161.09625	26.1
163.03888	3.5
163.07585	1.2
163.11227	3.0
165.05481	2.0
165.09132	22.8
171.08076	1.3
173.13283	1.7
175.04062	1.1
175.07573	3.4
177.05385	1.2
179.07091	3.0
179.10672	20.5
189.05519	10.2
189.09094	20.4
193.04970	4.8
197.08060	5.2
203.07149	2.2
207.10173	25.0
217.04971	31.3
221.08083	4.1
225.11227	40.4
229.15846	1.2
235.06010	15.7
239.09105	4.8
241.08672	1.1
243.48457	1.2
249.11281	3.0
253.16098	1.1
263.09058	5.5
267.12286	13.0
269.08041	1.1
271.17047	2.4
285.18613	1.9
287.09064	5.7
289.17993	2.1
305.10223	3.6
313.17709	2.6
315.12192	2.0
331.19022	14.0
333.13504	5.1
349.20053	13.5
351.14310	8.3
366.17084	1.2
391.21167	14.0
421.22302	2.3
439.21271	1.8
451.23120	2.0
457.22302	16.1
475.23273	11.2
565.24402	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	1.9
64.26240	1.0
67.05521	2.0
69.07069	1.4
71.58801	1.3
79.05495	2.0
81.07052	3.1
86.09717	5.3
89.06042	1.5
91.05491	2.0
93.07055	2.4
95.08614	2.1
105.07040	2.6
107.08591	1.6
109.10150	1.2
114.59752	0.9
119.08568	1.8
121.10136	1.4
125.00027	4.3
131.08598	1.2
133.08635	0.9
133.10149	1.8
133.97432	0.9
145.06331	0.9
145.10124	1.4
157.10063	1.0
163.03941	1.0
184.07341	21.0
184.08992	1.3
185.07690	1.5
191.28398	0.8
227.64067	0.9
384.12155	1.5
385.12943	4.4
386.13824	1.6
397.13013	1.1
398.13577	6.3
399.14584	9.3
400.15399	15.3
411.14590	1.8
412.15363	5.5
413.16058	13.2
414.17038	9.3
416.14951	1.6
418.17508	1.5
424.15311	1.1
426.17068	2.3
427.18228	11.6
428.18607	14.4
429.19479	10.4
441.14566	5.3
442.16422	9.5
444.13989	1.7
445.18546	1.9
446.17072	1.7
453.15613	1.5
455.17203	31.8
456.17960	11.3
457.14951	1.1
458.15964	3.1
459.16571	5.1
460.17017	1.8
469.14236	1.5
471.16992	1.3
472.17657	1.2
473.18347	1.5
483.16714	26.7
484.16583	2.5
486.19061	1.7
487.15738	3.0
487.20862	1.9
488.16733	1.1
495.16461	1.6
499.16513	4.1
500.16995	1.0
501.17587	1.9
511.20071	1.8
513.14056	1.4
515.18762	2.4
516.19861	1.3
523.16162	2.4
527.15576	24.4
528.15613	5.4
537.18005	1.2
538.18390	1.3
539.19293	9.3
540.19556	1.3
543.22473	16.4
544.22437	1.1
555.18878	1.0
568.18829	1.1
569.20331	1.5
571.21906	100.0
572.22351	4.3
574.23907	6.6
587.21191	1.9
601.22852	6.4
602.23730	38.0
603.24121	2.2
614.20148	1.2
615.20636	2.6
617.26099	2.4
629.12823	1.7
629.22473	23.9
630.22736	24.3
631.22931	1.3
633.25323	1.6
643.23822	2.4
657.21967	59.8
658.22070	3.8
661.24744	6.9
689.24286	24.3
689.40448	3.8
690.24774	1.9
695.64185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	0.7
57.21165	0.4
64.93299	0.4
65.62511	0.4
71.57315	0.7
81.03413	0.7
82.99841	1.1
85.02901	0.5
85.99514	0.4
88.44566	0.4
94.99828	0.9
97.02900	2.3
98.97535	0.5
100.31091	0.4
101.00871	2.5
109.02847	1.3
111.83289	0.4
113.00836	1.4
114.54502	0.4
119.01921	11.0
121.27940	0.4
124.85471	0.5
126.07309	0.4
127.02357	0.6
127.03889	0.8
129.03938	0.6
131.01913	6.9
133.03462	1.1
135.77791	0.4
137.02937	1.4
139.02443	0.6
143.01894	5.7
145.03470	6.7
145.04765	0.6
147.01376	1.1
149.02934	1.0
153.03954	0.5
155.01891	14.4
157.03485	4.5
161.01691	0.6
161.02951	7.5
163.04520	1.3
167.01907	7.3
169.03473	2.5
171.01382	1.8
171.05040	3.0
172.01208	0.5
173.02966	24.2
174.03165	0.5
175.04530	1.4
179.01891	2.9
181.03381	1.1
185.02908	38.3
185.04259	4.4
186.03029	1.0
187.04509	4.2
189.02429	0.9
191.02069	0.6
191.03998	1.6
195.04875	0.5
196.04570	0.9
197.02965	20.3
199.02963	0.5
199.04521	2.4
203.03773	9.7
203.05408	3.3
208.04459	0.9
209.01093	0.9
209.02925	6.7
211.04530	0.8
215.04002	11.5
220.04532	0.7
221.03299	2.0
221.05054	2.0
223.04590	0.8
225.02263	0.6
227.04015	9.4
229.05550	0.7
233.05046	1.0
239.04013	7.5
245.05072	100.0
246.05246	2.2
247.04948	0.6
251.03992	2.7
255.06970	0.5
257.05066	21.5
258.05292	0.8
263.03986	0.4
263.06195	4.6
269.05042	6.6
275.06131	28.4
276.06201	0.7
281.04965	1.2
287.06107	7.6
293.07242	1.0
299.06000	2.0
305.07166	7.6
317.07156	1.4
329.07196	1.3
335.08188	2.0
347.09122	13.4
365.09335	44.4
366.09720	0.9
383.10345	28.1
384.10736	0.6
407.10452	6.4
425.11325	1.0
431.10797	0.7
437.11386	8.7
455.12378	1.9
461.11771	0.6
479.12857	0.5
491.12469	1.0
509.14047	4.8
527.14771	18.3
569.15729	0.6
599.16650	0.9
689.20813	37.1
690.21393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68240	0.2
53.03918	0.7
53.04149	0.2
55.01873	4.5
55.05510	8.5
55.05768	0.3
57.03437	6.3
57.07044	0.7
59.05007	1.7
61.02923	2.5
62.32090	0.2
67.05505	6.2
68.05787	0.2
69.03439	1.3
69.07069	2.5
70.95484	0.3
70.95830	0.2
71.01314	0.6
71.04985	1.8
73.02887	0.8
79.05492	10.0
81.03416	6.7
81.07053	9.5
83.01340	5.4
83.04983	6.6
83.08618	6.5
85.02906	5.1
85.06516	0.6
87.04454	0.2
91.03964	1.0
91.05476	6.6
93.07042	13.7
95.04974	4.3
95.08061	0.3
95.08604	4.5
97.02891	3.0
97.06534	2.8
97.10172	1.2
99.04451	1.7
99.08053	0.4
103.05441	0.5
105.07036	5.7
107.04957	5.5
107.08591	8.2
109.02895	0.9
109.06519	4.9
109.08128	0.2
109.10127	1.4
111.04427	1.6
111.08102	0.9
111.11710	0.3
117.06226	0.3
117.07012	4.6
119.08574	6.0
121.06519	2.2
121.10141	5.7
123.04404	0.7
123.07188	0.3
123.08058	5.7
123.11681	0.2
125.05999	1.0
125.09631	1.0
127.03883	0.8
128.06233	0.2
129.06987	1.0
130.07753	0.6
131.04900	0.3
131.08575	1.7
133.06453	0.4
133.10146	1.5
135.04433	0.3
135.08076	1.5
135.11688	8.0
137.09601	1.1
137.13203	0.2
137.16522	0.2
139.07509	0.5
143.08533	0.5
145.04939	0.4
145.06465	0.5
145.10123	10.9
145.99135	0.2
147.08023	1.4
147.11682	0.5
149.05930	0.4
149.09605	0.7
151.11151	0.4
153.12764	2.1
155.08530	1.0
161.09491	0.2
163.11180	17.7
164.11647	0.2
165.09070	0.2
173.09616	2.4
181.12254	2.4
191.10674	1.8
197.08075	0.2
209.11713	4.7
223.72150	0.2
227.12746	2.4
239.09108	0.4
265.14288	0.3
283.15390	100.0
284.15750	1.4
285.18723	0.4
303.19385	0.5
331.19058	1.0
367.88211	0.2
396.88882	0.2
473.25424	0.5
491.26398	48.4
492.26697	1.1
689.30957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01862	1.6
55.05510	2.3
56.56259	0.5
57.03432	1.3
57.07088	0.7
58.48050	0.5
59.05016	0.9
65.03929	1.0
67.05502	4.0
69.03433	9.0
69.07062	1.6
69.10770	0.7
71.04986	2.2
73.02908	0.9
79.05491	5.6
81.03414	20.3
81.07053	8.4
83.01342	0.9
83.04975	1.8
83.08622	1.0
85.02920	3.0
85.06548	1.0
88.18443	0.5
91.05485	6.9
91.06024	0.9
93.07051	10.4
95.04979	2.6
95.08611	7.1
97.02277	1.0
97.02893	17.6
97.06525	1.6
99.04443	4.4
103.05434	0.8
105.07031	15.2
107.04942	1.7
107.08593	14.9
109.02881	100.0
109.06513	7.5
109.10163	8.0
110.03207	1.7
111.04459	3.1
111.08084	5.4
113.06020	1.1
115.03959	0.8
117.07018	1.6
117.96151	0.5
119.08585	35.7
120.08902	0.8
121.06526	3.5
121.10149	13.2
123.04449	3.7
123.08067	10.5
123.11702	3.3
124.08895	1.1
125.05968	1.2
125.09632	72.4
126.09977	1.4
127.03918	72.9
128.04277	1.3
128.06245	1.5
129.07047	0.9
130.07745	0.7
131.08562	1.7
133.02840	1.8
133.06514	2.1
133.10130	29.8
134.10466	1.0
135.04359	0.8
135.08038	1.4
135.11700	4.1
137.05962	1.8
137.09616	4.7
139.07549	0.7
139.55447	0.6
143.08592	5.0
144.09277	0.6
144.11374	0.6
145.02924	1.1
145.04967	9.1
145.06490	0.9
145.10153	3.0
147.04437	0.8
147.08047	17.5
147.11679	1.4
149.05969	1.3
149.09648	1.3
151.03941	1.0
151.07538	2.0
151.11183	4.7
155.08490	0.6
157.10153	1.9
159.08102	0.9
159.11725	1.4
161.09621	23.3
163.03929	0.9
163.07591	1.1
163.11125	3.3
165.09113	24.1
167.06992	0.6
167.10672	0.6
171.08038	1.1
171.11726	1.5
173.09686	0.7
173.13342	0.8
175.11176	1.3
177.05489	3.0
179.03404	33.5
179.10667	19.5
180.03661	0.7
180.10997	0.6
183.11707	0.7
185.09624	0.8
185.13306	1.1
187.11224	1.2
187.14783	0.8
189.07381	1.0
189.09105	18.7
190.09322	0.8
191.06987	0.9
199.11259	1.1
201.09235	0.7
203.10683	1.1
207.10179	27.5
208.10463	0.8
215.10751	0.9
217.12209	0.7
225.11215	55.8
226.11632	1.5
229.15826	0.8
229.34636	0.7
233.11778	1.0
243.17416	0.6
249.11124	1.0
253.15875	0.8
267.12289	4.3
267.17462	0.6
269.11688	0.9
271.16885	1.9
279.12198	0.7
285.15329	0.8
285.18515	2.5
287.12961	0.7
289.18021	2.8
295.16919	1.3
297.13419	1.4
303.19470	0.7
313.18008	3.2
315.12289	3.4
315.19675	1.1
331.19034	17.0
332.19437	0.7
333.13379	9.1
333.20569	1.5
349.20081	21.0
350.20572	0.9
351.14365	12.0
367.21146	1.8
369.15393	0.8
391.21191	10.2
421.22180	2.9
439.21075	2.9
445.22546	0.9
457.22220	38.5
458.22485	2.8
475.23306	28.8
475.28259	0.6
476.23468	2.3
491.26248	0.7
493.24252	6.2
671.26947	19.2
672.26978	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.9
55.01876	8.2
55.05517	23.1
57.03442	8.0
57.07071	3.4
59.05003	3.6
61.02917	1.6
65.03928	3.7
67.05505	75.3
68.05836	5.2
69.03120	2.1
69.03437	21.8
69.07078	12.9
71.04987	7.0
71.34241	4.2
79.05492	48.6
80.05823	3.6
81.03419	58.9
81.07056	57.2
82.07392	3.2
83.01371	4.0
83.04985	17.1
83.08624	13.3
85.02895	6.6
85.06542	2.8
91.05479	34.9
93.06465	3.1
93.07045	55.7
95.04974	12.6
95.08611	38.1
96.08957	3.1
97.02882	16.9
97.06519	8.6
97.10181	5.2
99.04454	6.1
105.07035	24.2
107.04939	7.1
107.08605	28.7
108.08923	1.7
109.02888	11.7
109.06525	3.9
109.10159	37.2
110.10506	6.6
111.04447	9.0
111.08099	3.2
115.05440	2.4
117.07005	12.0
119.08596	19.9
121.06499	2.8
121.10144	20.0
123.08080	4.0
123.11695	2.4
125.09647	5.1
127.03909	6.4
129.07010	5.7
131.08575	13.1
133.06485	1.8
133.10153	10.7
135.08047	3.2
135.11699	18.3
137.09612	2.9
141.91309	1.6
143.08566	3.8
145.06454	2.0
145.10121	14.7
147.08086	3.0
147.11671	7.0
149.09566	2.1
149.13274	5.9
153.12743	9.8
155.08612	2.7
157.10141	4.0
159.07983	1.9
159.11708	6.7
161.13274	3.5
163.11200	13.4
169.10130	2.5
171.11754	3.8
173.09633	4.2
173.11774	7.5
173.13269	5.3
174.12093	2.9
175.14807	3.3
181.12273	8.1
183.11821	2.5
185.13335	2.3
187.14809	3.3
189.11237	1.8
191.10735	6.0
193.12233	2.1
199.14951	2.0
209.11748	5.2
227.12766	13.5
229.14340	27.0
230.14714	12.6
243.21103	2.4
261.22183	7.5
262.22495	3.8
263.12915	1.6
283.15497	4.7
301.21750	2.4
317.24625	2.1
335.25900	15.5
336.26123	17.5
353.16016	14.7
387.25201	3.4
461.28979	2.3
489.36166	4.5
490.36011	19.8
508.37534	1.9
525.77661	1.8
543.36725	2.1
555.34143	1.8
669.39716	5.1
687.40961	100.0
688.41235	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	688.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28542	1.0
53.03938	1.1
55.01868	1.2
57.03446	0.9
61.02911	1.1
67.05505	1.3
69.03426	3.5
69.07069	0.9
69.70784	0.7
70.06578	1.8
70.33960	2.3
71.04987	2.2
74.06059	1.1
75.26064	0.9
79.05476	2.1
80.04986	1.6
81.03434	1.5
81.07049	2.6
82.06564	1.5
84.04476	1.0
85.02905	7.5
86.09704	1.0
91.05465	2.8
93.07043	6.4
94.06565	7.0
95.04964	1.4
95.07349	7.5
95.08599	2.2
95.28397	0.7
96.07551	1.2
96.08131	16.0
97.02895	5.8
97.06524	2.1
98.20713	0.7
103.05456	1.8
105.07024	1.0
107.07326	2.4
107.08538	0.8
108.04470	1.3
108.08128	8.8
109.02871	1.2
109.08905	1.7
110.06051	1.7
110.09681	31.6
116.98569	0.7
119.04961	1.0
120.08102	20.6
121.06496	1.6
122.06039	1.5
122.09650	3.7
123.06763	0.7
124.07589	1.7
127.03915	2.0
129.10272	0.8
135.08035	1.0
136.07555	5.7
137.06013	0.7
137.08357	2.1
137.13246	0.8
138.05550	0.8
138.09138	41.1
139.09561	0.7
140.07114	1.0
145.02817	1.6
145.05081	0.8
146.06015	2.4
147.04440	3.6
148.07579	7.5
150.09154	8.7
153.89005	0.6
154.08591	1.5
163.03799	1.1
166.08643	89.1
167.08925	1.4
168.06609	1.7
168.10263	0.8
170.30952	0.9
172.03935	2.2
174.05502	0.9
177.05478	2.4
181.04906	0.6
185.10840	0.8
185.21326	0.6
190.04970	1.5
199.08630	5.1
200.09355	1.2
201.10242	0.8
204.06516	4.9
206.08113	3.7
207.03828	0.7
211.08702	9.4
211.12315	0.7
212.09407	2.7
213.06587	2.5
213.10155	4.4
221.11362	0.7
225.06598	1.7
225.10175	6.6
226.11021	1.3
227.08226	2.4
227.11745	4.6
229.09760	2.8
236.09435	1.2
237.10248	1.2
239.08107	1.7
239.11792	8.4
240.08855	2.1
241.09718	4.8
241.13512	1.4
242.10457	1.0
245.12878	9.3
249.10394	1.0
251.11900	0.9
252.08992	1.6
253.09737	6.6
254.10484	2.0
255.07773	1.0
255.11304	16.8
257.12924	0.8
264.08957	1.0
267.11292	15.0
268.12033	3.1
269.09161	1.1
273.08649	1.1
273.12317	1.8
281.09222	1.1
283.10767	13.5
284.11716	0.9
285.09103	1.3
285.12320	8.9
287.10428	1.9
295.10782	9.5
297.12366	3.0
299.10364	3.7
301.11807	22.1
311.10214	3.3
313.11823	42.9
323.10251	12.2
325.11844	2.9
329.11310	35.5
341.11353	23.0
343.13058	2.1
347.12421	1.2
355.12817	1.2
357.14478	1.1
359.12280	1.1
361.13940	79.7
362.14319	2.3
373.13968	18.5
374.18829	0.8
420.19226	1.7
426.46982	0.7
448.18585	3.7
450.20419	1.9
452.17941	2.2
466.19897	4.3
476.18201	5.0
480.21555	1.4
494.19247	52.8
495.19455	1.0
508.20782	23.7
512.19971	1.1
525.20508	1.2
526.21844	100.0
527.22168	2.6
656.23871	3.2
670.26166	1.6
688.26312	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	687.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
54.77932	0.1
55.05518	0.7
55.33909	0.2
57.03437	0.3
63.02378	0.3
67.05502	1.3
69.03438	1.2
69.07072	0.6
69.37608	0.9
69.38036	0.6
71.04987	0.4
78.04722	0.2
79.05500	1.2
81.03412	1.7
81.07063	2.3
81.09805	0.1
83.04984	0.4
83.08629	0.6
85.02908	0.9
85.06572	0.4
89.03915	3.2
91.05482	1.7
93.07053	1.6
93.87172	0.1
95.04968	0.5
95.08614	2.6
95.09226	0.1
97.02919	1.0
97.06534	0.5
98.21529	0.2
99.04450	0.4
103.05505	0.2
105.07036	1.6
106.04181	0.2
107.04951	0.2
107.08594	0.9
109.02894	2.9
109.06525	0.5
109.10165	0.6
111.04485	0.4
111.08072	0.3
113.09645	0.2
117.03384	10.8
117.07014	0.3
118.66248	0.1
119.08578	2.1
119.09354	0.2
121.06479	0.4
121.10129	0.8
123.04401	0.2
123.08090	0.5
123.11731	0.2
125.02372	0.2
125.09654	1.7
127.03920	2.4
129.06961	0.1
131.04973	0.3
131.08578	0.4
133.06520	0.2
133.10129	1.2
134.03662	0.8
135.04401	0.9
135.08047	0.3
135.11716	0.8
137.05994	0.5
137.09669	0.3
137.13269	0.2
139.03775	0.2
139.07408	0.1
143.08580	0.3
145.02850	37.4
145.10135	0.3
146.03169	0.8
147.08051	0.6
147.11736	0.2
149.05984	5.1
150.06378	0.2
151.07562	0.4
158.06017	0.3
159.11703	0.3
161.09633	0.4
161.13257	1.2
162.03127	0.3
163.03877	0.5
165.09009	0.7
167.06981	0.2
171.11722	0.2
175.07594	0.3
177.05473	100.0
178.05797	1.7
179.10684	0.4
179.14305	1.3
186.05499	1.5
189.09119	0.4
195.06468	0.7
197.15411	0.2
207.10178	0.5
219.06496	0.3
225.11162	0.8
225.96265	0.1
231.06584	0.2
235.16930	0.2
251.16350	0.2
257.08194	0.3
263.16492	0.2
285.07599	0.5
287.16415	0.2
303.08508	0.5
305.17392	0.7
311.11105	0.3
323.18497	1.5
329.12311	0.9
331.18997	0.2
341.19485	0.5
421.34653	0.3
475.23245	0.2
481.21729	0.3
533.02496	0.2
535.25128	0.5
687.37433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03944	1.7
55.01870	1.1
55.05508	1.9
56.47755	0.4
56.96536	0.4
57.07069	0.7
59.04982	0.4
62.05244	0.4
65.03944	0.7
67.01855	0.7
67.05507	5.6
68.26118	0.4
69.03071	0.5
69.03429	6.3
69.07081	2.0
71.04987	1.9
73.02907	0.5
77.75534	0.4
79.05502	4.4
80.05830	0.4
81.02971	0.7
81.03421	8.4
81.07063	5.9
83.04977	2.2
83.08648	0.8
85.02908	1.6
85.06541	0.9
88.97092	0.3
91.05482	7.1
93.07049	10.5
94.58411	0.4
95.04976	2.6
95.08620	7.6
97.02895	12.7
97.06532	1.8
99.04456	1.9
103.05486	0.8
105.07036	15.1
107.04958	2.2
107.07864	0.5
107.08599	13.0
109.02885	24.9
109.06525	5.0
109.10162	16.5
111.04446	8.1
111.08087	2.5
113.05978	0.9
115.05486	0.5
117.06999	2.1
119.05042	0.4
119.08588	30.1
121.06494	2.5
121.10146	7.8
123.04434	1.9
123.08083	4.8
123.11724	2.7
125.05992	1.0
125.09639	2.5
127.03922	26.8
128.06197	0.7
129.06995	1.3
130.07765	0.5
131.08571	3.6
132.05826	0.4
133.06497	10.5
133.10138	24.1
134.10468	0.6
135.08041	5.3
135.11671	3.6
137.05981	1.0
137.09618	3.6
137.13229	0.6
139.07552	0.6
142.07773	0.8
143.08560	5.6
145.04941	1.6
145.06473	0.8
145.10114	3.6
146.07347	0.7
147.04358	1.0
147.08049	16.5
147.11684	1.2
149.06009	1.0
149.09587	1.9
151.07541	0.6
151.11203	3.0
155.08571	1.3
156.09343	0.6
157.06421	0.4
157.10127	3.3
159.08092	1.2
159.11711	2.8
161.09628	15.8
161.13205	0.7
163.07550	1.0
163.11205	5.3
165.09120	17.9
166.07724	0.6
169.10118	1.5
171.08011	1.3
171.11682	2.8
173.09630	0.9
173.13264	1.5
175.11195	1.5
177.05489	1.0
179.10680	11.4
181.10133	2.3
181.12286	0.5
183.11742	1.2
185.09630	4.0
185.13260	1.1
187.11163	1.9
187.14845	0.7
189.09126	11.5
189.12794	0.8
191.10660	1.4
193.04971	100.0
194.05328	1.8
195.11710	1.1
197.09663	0.8
197.13268	0.8
199.09453	0.7
199.11201	8.2
199.14830	1.4
201.12766	0.7
203.10751	1.1
207.10170	16.9
209.11629	0.7
209.13382	0.7
211.14835	0.8
213.09323	0.6
213.12726	0.8
215.10686	0.8
217.12245	3.9
223.11107	0.6
223.14868	0.6
225.11220	63.4
226.11583	1.2
227.10741	0.7
227.12683	0.6
227.17970	0.9
235.06090	0.6
235.13326	0.9
237.16354	0.8
241.12248	0.8
243.12193	0.8
245.11676	0.6
251.17993	1.2
253.19592	0.5
255.17430	0.9
259.13290	0.8
267.12228	3.7
267.17389	0.5
269.18930	1.6
273.18570	1.2
279.17410	0.7
287.20126	1.4
295.16940	0.9
297.13388	0.8
297.18527	5.1
311.16211	1.1
313.17999	2.0
315.19580	12.9
331.18961	2.8
333.13382	3.1
333.20605	3.2
347.18488	0.7
351.14331	1.9
351.18317	0.6
357.20581	1.8
369.20560	1.8
375.21704	1.0
391.20767	0.5
393.20959	0.5
405.20560	1.2
407.67465	0.4
411.21683	0.7
413.23135	0.5
423.21579	2.6
441.22769	8.0
455.20752	1.0
459.23737	3.9
475.23218	0.5
477.24753	0.5
545.21191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63857	0.4
53.03930	1.8
55.01859	1.0
55.05494	1.5
57.03407	0.6
61.92255	0.4
67.01855	0.6
67.05510	4.7
67.32673	0.4
69.03426	4.5
69.07051	1.2
71.04981	1.3
71.59708	0.8
72.60228	0.5
79.05489	3.7
81.02979	0.8
81.03415	9.4
81.07047	5.3
83.04979	1.4
85.02884	1.4
91.05480	6.0
93.07031	7.3
95.04941	1.9
95.08601	6.2
97.02893	9.6
97.06522	1.4
99.04431	1.9
105.03348	0.6
105.07025	9.8
107.04932	1.8
107.08591	9.9
109.02876	38.8
109.06516	3.7
109.10149	9.9
111.04443	5.2
111.08072	2.7
111.28703	0.4
113.06010	0.8
117.03394	0.7
117.06992	1.3
119.04885	0.5
119.08573	22.2
121.02879	0.5
121.06497	1.8
121.10117	5.6
123.04411	1.5
123.08045	4.3
123.11678	1.8
125.05961	0.6
125.09624	16.0
127.03911	28.5
128.06300	0.5
129.06938	1.1
131.08572	1.5
133.06477	5.0
133.10123	17.1
135.08031	2.7
135.11707	2.6
137.05945	1.7
137.09579	2.2
143.08540	4.0
145.02837	2.1
145.04958	2.5
145.06485	0.8
145.10112	1.8
146.07236	0.6
147.04431	1.0
147.08043	11.8
147.11696	1.5
149.05975	1.3
149.09599	1.9
151.07547	0.5
151.11169	2.4
153.01825	10.5
157.10095	1.9
159.08063	0.8
159.11681	2.2
161.05975	0.6
161.09618	12.0
161.13301	0.5
163.03885	0.6
163.07486	0.5
163.11150	3.1
165.06982	0.6
165.09103	13.1
167.07027	1.7
169.10120	0.6
171.08046	0.8
171.11671	1.4
173.09612	0.9
173.13257	0.9
175.11137	0.6
177.05444	4.9
179.10661	8.1
181.10098	0.9
183.11607	0.8
185.09596	1.8
187.11229	1.0
187.14912	0.5
189.09091	9.7
191.10738	0.7
193.04956	100.0
194.05284	1.9
195.06522	27.4
196.06813	0.7
199.11177	5.1
207.10155	13.9
209.11551	0.7
217.12216	3.1
219.13777	0.6
225.11203	39.9
235.05983	1.4
251.17874	0.6
255.17546	0.9
259.05847	0.6
267.12131	2.8
269.18994	1.0
271.16882	1.2
273.18356	0.7
287.19986	0.8
289.18152	0.7
295.16940	0.6
297.18634	2.2
313.17926	1.6
315.19522	6.6
331.18988	4.4
333.13269	2.5
333.20428	1.2
336.42169	0.5
349.20105	3.5
351.14282	2.8
357.20599	0.7
369.20737	0.5
375.21704	0.7
391.21124	1.6
405.20499	0.7
421.22125	0.6
423.21573	1.8
441.22836	3.9
457.22314	3.8
459.23776	1.4
475.23129	3.1
540.27655	0.5
687.29547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54031	0.7
53.03938	1.3
55.05513	13.4
57.03439	15.1
57.07073	1.8
59.05006	4.3
61.02927	6.2
65.03941	2.8
67.05506	100.0
69.03435	1.4
69.07071	8.4
69.64421	4.7
71.04993	3.7
71.08662	0.7
73.02889	0.9
77.08314	0.8
79.05497	23.1
81.07059	40.1
82.07428	0.7
83.04978	1.4
83.08621	7.1
85.02903	4.7
85.06535	3.4
91.03978	2.3
91.05485	15.8
93.07046	29.4
95.04984	2.5
95.08611	30.9
97.02902	3.2
97.06564	1.4
97.10195	2.0
99.04466	0.8
105.07050	7.8
107.08597	15.6
109.06504	1.0
109.10159	80.6
110.10500	1.3
111.08083	4.4
115.05557	0.8
117.07027	3.3
119.06058	0.7
119.08584	12.9
121.10143	12.8
123.11732	2.9
125.09645	1.2
127.03893	0.9
131.08562	6.0
133.10124	5.1
135.11696	8.1
137.09619	4.1
145.10136	4.3
145.74875	0.7
147.11656	3.8
149.13228	5.2
155.10646	4.2
159.11754	3.2
161.13298	3.2
163.14905	2.3
173.11769	21.3
173.13290	2.6
175.14890	1.6
187.14894	1.7
201.16629	1.2
217.01558	0.8
227.12758	5.5
229.14360	84.9
230.14740	1.7
243.21080	4.1
261.22156	18.8
268.50458	0.7
317.24957	2.9
335.25806	73.5
336.26227	2.7
397.31161	1.4
415.32138	1.0
471.34912	2.2
489.35760	62.1
490.36459	3.0
507.36835	3.7
687.40625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.05511	12.7
57.03435	14.2
59.05002	3.8
61.02925	4.8
65.03953	2.8
67.05505	100.0
69.03422	1.3
69.07070	7.1
70.98873	2.8
71.04999	3.8
71.08631	1.4
73.02909	1.6
79.05492	18.7
81.03435	1.4
81.07056	37.9
83.08617	9.0
85.02906	3.9
85.06545	4.1
91.03962	2.1
91.05479	10.8
92.85897	1.1
93.07043	26.2
93.07624	1.5
95.04957	1.7
95.08607	35.5
97.02893	2.0
97.06537	1.9
97.10146	2.3
99.08086	1.2
102.65861	1.5
105.07037	10.2
107.08591	16.7
109.10155	84.0
111.08097	4.2
117.07056	3.8
119.08591	15.5
121.10139	14.3
123.11726	4.5
127.03915	1.4
130.03162	1.1
131.08572	6.6
133.10133	7.9
135.11691	8.1
137.09625	5.2
145.10118	6.8
147.11659	8.3
149.13283	4.9
155.10663	4.5
157.10155	1.7
159.11697	4.5
161.13274	3.4
163.14821	2.7
173.11768	26.0
173.13258	2.8
175.14810	1.6
177.12796	1.5
187.14885	2.1
189.11188	1.3
201.16455	1.7
203.17986	6.0
205.16014	1.5
214.57436	1.1
221.18958	1.6
227.12747	4.3
229.14354	99.5
230.14856	2.2
243.21056	6.0
250.14516	1.2
261.22134	17.8
271.16983	1.4
284.19232	1.1
295.16901	1.9
313.17935	3.1
317.24817	2.8
331.19003	4.5
335.25797	66.9
336.26315	2.1
349.20053	2.0
379.29916	2.5
397.30948	1.9
415.31995	1.9
471.34750	2.3
489.35779	44.9
490.36078	1.7
499.47321	1.3
507.36786	4.7
601.51459	1.2
650.46881	1.2
678.26404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01872	1.0
55.05512	2.8
56.96577	0.3
57.03438	4.6
57.07069	0.8
59.04984	1.6
60.04531	1.0
61.02917	1.4
65.03924	0.6
67.05507	1.5
69.03432	22.7
69.07069	7.5
70.06593	0.7
71.04993	1.9
71.58687	0.4
71.59071	0.5
73.02911	1.4
75.04475	1.1
78.17419	0.4
79.05479	2.3
81.03439	2.2
81.06580	0.6
81.07053	8.4
83.04973	0.6
83.08622	6.4
84.08139	0.4
85.02908	29.0
85.06540	1.8
87.04468	14.8
91.03952	1.0
91.05463	2.3
93.07040	6.4
95.04945	0.9
95.08606	19.6
97.02892	23.6
97.10168	4.0
99.04462	1.6
99.08092	11.5
103.03957	0.5
105.07014	2.4
106.28136	0.4
107.08595	22.6
109.02889	2.5
109.06501	0.5
109.10162	5.5
111.04425	0.5
111.08078	4.2
113.09607	1.0
115.03929	25.3
119.04915	1.2
119.08560	1.0
121.10144	38.9
123.04401	0.6
123.08080	0.7
123.11685	2.2
125.09639	2.8
127.03919	6.7
133.04962	20.9
133.10089	1.0
135.11688	8.0
136.07549	0.4
137.13245	4.1
139.11205	0.8
145.02931	0.6
145.03897	0.7
145.04961	9.8
147.04425	6.2
148.04749	0.7
149.13278	3.2
150.07616	1.2
162.05542	0.6
163.03973	0.5
163.06056	4.6
163.07414	0.6
169.04976	1.1
175.14844	0.4
177.05489	2.0
177.16386	100.0
178.16756	0.7
181.04987	1.0
183.44612	0.4
195.17450	24.1
211.06105	0.6
213.18495	77.7
214.18703	0.6
217.06995	0.4
241.06958	0.7
259.08179	2.8
277.09235	1.0
289.09143	0.6
295.10251	5.7
309.20502	0.4
325.11316	3.7
375.23764	5.5
490.73062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01874	9.1
55.05504	2.5
55.36877	1.0
57.03439	1.6
57.07071	1.3
64.18448	1.2
65.03946	1.8
65.77129	1.0
67.05505	11.3
69.03429	7.0
69.07055	3.4
71.04990	2.4
71.61555	2.0
74.06071	1.0
79.05112	1.4
79.05493	13.0
81.03420	14.3
81.07063	10.8
81.78812	1.2
83.04961	3.3
83.08608	1.6
85.02895	3.8
89.03902	1.4
91.05480	15.6
93.07048	18.4
95.04962	6.7
95.08614	12.8
97.02898	14.7
97.06511	6.5
99.04436	3.8
102.04686	1.9
103.05470	15.7
105.03401	1.6
105.06379	2.1
105.07037	27.9
106.04180	1.1
107.04967	8.2
107.08595	20.0
109.02878	21.1
109.06497	5.5
109.10150	17.0
111.04449	16.1
111.08084	2.4
113.06022	1.1
115.03907	1.5
115.05452	4.3
117.03374	2.1
117.07020	6.5
118.04165	8.8
119.04974	3.3
119.08587	30.4
121.02866	1.2
121.06498	8.9
121.10137	10.3
123.04424	3.7
123.08062	6.5
123.11696	2.8
125.06015	2.3
125.09621	5.1
127.03922	34.4
128.06239	2.7
129.06975	3.9
130.04117	8.2
131.04927	21.0
131.05835	2.1
131.08534	6.0
133.02858	1.7
133.06490	22.5
133.10126	19.2
135.04492	1.7
135.08066	13.4
135.11716	5.8
135.44131	1.3
137.05940	3.5
137.09625	3.3
139.07541	1.2
141.06996	1.9
143.08578	8.2
144.05673	1.5
145.02863	5.0
145.04958	2.5
145.06477	4.4
145.10112	7.7
146.03561	2.0
147.04411	5.6
147.08031	12.9
147.11699	3.6
148.05174	3.3
149.05968	4.9
149.09602	3.6
150.44977	1.2
151.11197	3.0
153.05435	1.8
153.06866	1.2
155.08551	2.7
156.09343	1.8
157.06502	1.6
157.10092	7.7
159.08073	2.6
159.11749	6.3
161.05981	12.7
161.09608	13.5
161.13242	1.8
163.03879	4.6
163.07549	5.2
163.11174	5.0
165.05450	2.9
165.06915	2.3
165.09131	9.1
166.07846	1.6
167.07076	9.3
167.08331	1.7
169.10132	2.5
170.07268	2.9
171.08121	2.2
171.11682	6.3
173.05984	4.5
173.09622	2.7
173.13284	2.1
175.07494	2.0
175.11163	3.9
176.04707	15.0
177.05487	14.1
179.03418	2.8
179.10651	9.0
181.06389	1.5
181.10078	3.3
183.07932	1.5
183.11673	1.3
184.08771	1.2
185.09656	7.4
185.13197	1.6
187.11220	2.7
187.14809	1.8
189.05472	1.4
189.09091	10.3
191.07034	100.0
192.07582	1.7
193.04990	8.6
193.08644	18.6
195.11664	1.3
197.09624	2.0
198.06767	1.3
199.11174	16.4
199.14877	2.6
201.09100	1.4
205.08640	5.1
207.06546	1.5
207.10161	13.1
209.08080	32.7
209.13464	1.7
211.11215	1.5
211.14928	1.9
213.07475	1.3
213.12791	1.6
215.07025	1.3
217.08656	1.4
217.12206	7.3
219.10074	1.9
225.11185	29.4
227.17935	1.2
229.08592	1.8
231.10197	9.8
231.13760	2.0
233.08072	1.5
235.09570	1.6
241.08571	1.8
243.06450	1.2
255.17516	1.5
259.09610	1.7
259.13412	1.6
273.14526	1.5
279.17487	2.2
283.09491	2.6
287.20132	1.4
297.18497	6.1
299.09116	3.7
299.16437	3.4
301.10767	5.0
313.18170	2.3
315.19574	14.2
317.10089	1.7
327.15985	2.4
331.19006	2.6
333.13220	2.5
339.19632	4.0
351.14410	1.7
357.20590	2.4
369.20554	2.9
395.22513	1.7
423.21652	4.2
441.22836	8.0
447.10654	1.4
459.23593	3.3
487.24622	1.7
493.20007	1.3
505.25751	4.2
523.27368	2.4
631.28998	2.7
649.29730	3.9
667.30585	2.8
685.34833	1.8
693.53967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12417	1.5
53.03944	6.0
55.01867	3.2
55.05506	3.4
57.03429	3.0
59.05012	2.1
62.22830	1.6
67.05505	7.6
69.03433	10.0
69.07075	5.2
71.04989	3.8
71.61694	2.5
73.02891	1.6
79.05498	11.6
81.03417	25.0
81.07057	17.0
83.04977	3.3
83.08636	3.0
85.02905	4.1
91.05467	15.2
93.07041	15.4
95.04980	3.3
95.08612	12.4
97.02898	56.1
97.06539	6.6
99.04461	5.4
103.05485	5.6
105.07036	30.8
107.04954	4.4
107.08603	23.2
109.02884	100.0
109.06532	9.7
109.10190	9.5
110.03207	2.8
111.04449	6.4
111.08089	5.4
113.05995	1.4
115.05472	3.5
117.07044	4.0
118.04216	2.1
119.04938	2.7
119.08585	41.0
120.08878	1.6
121.06522	5.0
121.10149	16.7
123.04419	3.2
123.08060	12.6
123.11724	3.3
125.09634	91.1
126.10013	2.0
127.03920	70.2
128.04207	1.9
128.06264	2.8
129.07007	4.1
131.04976	3.4
131.08542	7.8
133.06505	36.0
133.10136	31.9
134.10469	1.7
135.08049	10.3
135.11696	5.6
137.05946	7.1
137.09644	5.4
143.08580	8.2
145.04965	8.2
145.06450	2.9
145.10150	5.7
146.07092	1.4
147.04398	3.2
147.08066	18.7
147.11716	4.3
149.06029	3.1
149.09665	4.2
151.07579	3.0
151.11223	5.0
155.08662	2.4
155.85315	1.7
157.10112	1.9
158.38219	1.6
159.08047	2.3
159.11713	2.9
161.05975	26.8
161.09627	21.7
163.03917	3.3
163.07562	4.1
163.11218	4.2
165.06985	2.3
165.09129	23.7
167.07043	4.2
169.10277	1.8
171.11743	2.7
173.13280	1.8
175.07574	3.4
177.05479	4.0
179.07069	3.8
179.10707	16.3
181.08624	1.8
181.10196	1.5
183.11639	1.6
185.13246	1.7
187.07571	1.8
187.11189	2.4
187.14810	2.3
189.09148	17.6
191.07076	6.3
191.10637	1.5
192.07484	2.9
193.04944	11.8
193.08615	30.8
197.13356	1.8
199.07648	1.9
199.11171	2.3
205.08662	3.6
207.06609	2.1
207.10193	29.0
207.12065	2.7
209.08165	2.1
211.07416	1.7
215.10881	1.9
219.13759	1.7
225.11212	53.6
225.13330	3.4
226.11632	2.2
233.05801	1.9
233.15506	1.4
235.09625	3.1
239.17825	1.6
243.10182	2.0
243.13980	2.1
245.08086	2.0
249.11288	2.2
259.09662	4.6
267.12274	5.4
271.13297	3.2
283.09619	6.2
285.18588	3.9
289.14334	8.0
289.17996	4.0
295.16876	1.8
297.13239	2.1
297.18732	2.1
301.10696	9.2
307.15488	9.0
313.18118	4.7
315.12265	2.5
315.19553	2.2
325.16492	12.1
331.19022	11.4
333.13382	3.7
349.20245	6.3
351.14429	6.7
351.21417	62.2
357.20306	12.9
391.21399	2.8
394.83890	1.6
395.22067	2.1
419.33023	1.5
434.68018	1.7
457.22284	5.7
458.22549	2.1
463.15811	10.3
475.23315	2.9
551.18286	1.7
649.28839	1.6
667.29218	1.7
685.27515	19.8
686.27826	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	685.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69803	0.8
51.02378	0.6
51.30028	0.8
52.62830	0.7
53.03952	3.7
55.01876	8.8
55.05507	2.8
55.81020	0.8
57.03433	1.7
65.03938	1.9
67.01852	0.9
67.05505	7.4
69.03432	7.7
69.07070	3.0
70.01004	0.8
71.04990	2.0
76.12504	0.8
79.05487	7.8
79.67776	1.1
80.63210	0.7
81.03420	12.2
81.07063	10.3
83.01325	0.8
83.04991	4.5
83.08618	1.6
85.02915	3.1
86.11257	0.9
91.05482	11.8
93.07044	14.6
95.04969	3.8
95.08607	11.7
97.02894	13.1
97.06543	4.9
99.04457	3.5
102.04689	1.5
103.05472	13.7
105.03411	1.0
105.07034	25.1
107.04969	4.8
107.08599	16.9
107.09299	1.4
109.02132	1.1
109.02880	22.6
109.06514	5.5
109.10156	14.6
110.85274	0.8
111.04440	15.1
111.08114	2.3
113.05982	1.0
115.05460	2.8
117.03385	1.2
117.07031	4.9
118.04163	9.8
119.04962	2.0
119.08588	27.6
121.06515	6.6
121.10162	8.8
123.04440	3.2
123.08031	4.8
123.11720	3.6
125.05977	1.9
125.09614	3.9
127.03923	32.6
128.06247	2.5
129.07014	4.2
130.04137	6.9
131.04936	16.0
131.08591	5.0
132.05737	0.9
133.06516	14.2
133.10139	19.5
135.04393	1.2
135.08087	7.4
135.11668	4.1
137.05997	2.8
137.09624	3.4
141.07057	1.9
142.07767	2.0
143.08554	8.0
144.02301	1.0
144.05681	0.8
145.02859	4.0
145.04921	1.9
145.06497	3.8
145.10158	6.6
146.03648	1.4
147.04399	3.5
147.08037	11.4
147.11696	3.3
148.05186	4.2
149.06004	4.9
149.09634	4.6
151.03801	1.1
151.11208	2.6
153.05475	1.4
153.06955	1.1
155.08546	2.1
156.09378	2.1
157.06552	1.1
157.10168	5.6
158.03658	1.6
158.07335	0.9
159.08099	3.4
159.11702	5.5
161.05992	3.6
161.09644	13.1
161.13324	1.4
163.07568	2.5
163.11189	8.4
165.06984	2.3
165.09123	9.9
166.06245	1.0
167.07060	5.4
167.08447	1.3
169.06372	0.7
169.10110	2.5
171.08037	2.3
171.11708	5.9
173.06030	5.2
173.09592	2.5
173.13333	2.4
175.07541	1.2
175.11192	2.5
176.04678	15.0
177.05463	7.8
177.09216	0.9
177.12759	1.1
179.10677	9.3
181.08624	1.6
181.10144	3.5
183.08099	1.0
183.11755	1.6
185.09625	6.3
185.13287	2.7
187.07549	2.0
187.11218	2.9
187.14754	0.9
189.09125	8.4
189.12793	1.8
191.07039	100.0
191.10713	2.6
192.07510	2.3
193.04974	70.8
193.08623	13.3
194.05490	1.5
197.09668	1.8
197.13214	1.0
199.11201	14.1
199.14784	2.1
203.10634	1.8
203.14223	1.1
204.53397	0.9
205.08647	3.3
207.06470	1.3
207.10141	10.8
207.11751	1.0
209.08099	30.4
209.13310	1.7
213.12749	1.7
215.10593	0.9
216.07762	1.4
217.08527	1.8
217.12273	7.4
219.10094	1.8
219.13779	1.6
223.11310	1.0
225.09007	2.0
225.11206	29.2
225.13353	1.5
229.36057	1.0
231.10176	8.5
231.13771	1.1
233.08034	1.4
233.11703	1.1
235.11209	0.9
235.13232	1.8
237.16377	1.5
241.12209	1.4
251.18001	1.2
255.17419	1.1
267.12405	1.9
269.19104	1.4
273.14896	1.0
279.17166	0.8
287.20139	1.0
295.16888	1.6
297.18365	6.1
299.09167	2.0
299.16391	1.8
313.18039	2.5
315.19589	14.7
317.10345	1.5
331.19028	2.6
333.13495	1.6
333.20840	1.4
339.19592	1.3
349.20212	1.2
351.14624	2.0
357.20676	2.0
369.20642	2.5
377.21213	1.2
405.20624	1.5
423.21628	5.3
423.44934	0.9
441.22748	8.5
457.22290	1.1
459.23993	3.8
475.23492	1.0
487.25046	0.9
505.25772	5.8
523.26691	2.1
565.27753	1.3
631.29352	2.2
649.29889	2.2
662.38794	1.1
667.31061	2.5
685.29004	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	685.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01873	2.9
55.05509	0.7
61.56658	0.3
63.02364	0.4
65.03950	0.5
66.04718	0.5
67.05511	1.2
68.66493	0.3
69.03442	2.4
69.07051	0.6
70.06583	0.3
70.57172	1.0
72.08153	0.4
73.02906	0.3
77.03915	0.5
78.04697	0.5
79.05053	0.6
79.05494	7.3
81.03413	3.8
81.07060	1.3
84.08168	0.4
85.02901	0.9
89.03901	1.4
90.04696	1.2
91.05481	6.2
92.02616	0.4
93.07040	2.6
95.04971	3.0
95.08621	1.6
97.02895	4.5
99.04443	0.4
100.01276	0.3
102.04659	0.4
102.05548	0.5
103.05470	8.6
104.06242	0.5
105.07031	58.4
106.07369	0.7
107.04955	1.8
107.08596	2.9
109.02118	0.5
109.02875	7.5
109.03586	0.5
109.06530	1.6
109.10155	0.8
111.04443	1.1
111.08109	1.0
115.05457	13.8
115.06272	0.7
116.06194	0.4
117.07015	1.9
118.04158	6.1
119.04955	0.7
119.08578	6.9
121.06524	0.8
121.10144	2.3
123.04438	1.8
123.08105	2.3
123.11732	0.6
124.05186	0.3
125.06039	0.3
125.09632	15.0
127.03934	4.4
128.06212	1.0
129.07011	1.2
129.36887	0.3
130.04172	0.7
131.04915	5.3
131.08568	0.9
132.05731	1.4
133.06491	56.8
133.10121	5.9
134.06828	0.6
135.04446	1.6
135.08047	0.5
135.11642	0.5
137.05981	1.5
137.09589	0.9
139.03851	0.5
141.06998	1.4
143.04906	1.5
143.06042	3.3
143.08560	1.0
144.05745	0.9
145.04916	0.5
145.06509	2.0
145.10147	0.8
146.03641	0.5
147.04398	2.5
147.08034	3.6
148.05196	0.9
149.05977	1.0
151.03975	0.4
151.07526	0.4
151.11192	0.4
152.04678	0.4
152.06218	1.3
153.06958	1.3
155.04947	0.5
155.08540	0.5
156.05708	0.8
157.06485	1.2
159.04308	0.4
159.08049	1.4
160.05234	0.9
161.05981	100.0
161.09573	4.0
162.06311	1.7
163.07559	1.0
163.11189	0.7
165.05470	1.6
165.06995	1.5
165.09094	3.2
167.07053	18.9
167.08560	1.4
168.05701	0.6
169.06496	1.4
170.07291	0.6
171.04399	0.4
171.08047	1.1
172.05203	0.4
173.05962	1.9
175.04016	0.3
175.07549	1.4
176.04646	1.4
177.05441	1.2
177.06891	0.7
178.06206	0.5
179.10690	2.8
180.05713	0.6
180.07866	0.3
181.04930	1.0
181.06473	1.8
181.08540	0.4
182.07317	0.5
183.04411	0.4
183.06541	0.4
183.08006	0.8
184.05185	0.8
185.05945	0.7
185.09650	0.7
186.06746	0.6
187.03894	0.9
187.07545	2.0
189.05495	0.7
189.09082	2.7
190.06204	0.6
191.05728	0.3
191.07028	9.5
192.07761	1.3
193.04913	1.3
193.08612	64.6
193.35771	0.3
194.07246	1.0
194.08963	1.1
195.08012	2.8
196.05206	0.4
197.05986	1.2
198.06760	1.3
199.07503	1.2
200.04778	0.4
201.05449	0.8
201.09039	0.4
203.07021	0.8
204.07857	0.6
205.08594	3.3
207.06538	0.6
207.10136	6.0
208.05212	0.7
209.05952	0.9
210.06752	0.4
211.07504	1.1
212.08238	0.4
213.09105	2.1
214.06264	0.5
215.06984	2.1
216.04131	0.4
217.08617	2.0
219.06566	2.2
219.10124	1.7
222.06750	2.3
223.07599	3.4
223.09554	0.6
224.08281	0.4
225.05444	1.8
225.09003	0.6
225.11203	6.6
226.06171	1.1
227.07025	1.6
229.08540	1.4
230.09361	0.6
231.06508	0.7
231.10201	1.4
233.08092	0.8
235.06058	0.5
235.09602	2.0
237.05434	0.8
239.07043	0.9
240.07820	2.4
241.08572	3.6
243.06534	0.8
243.10057	0.4
244.07187	0.4
245.08028	0.9
245.11711	1.2
247.09680	7.7
249.11227	0.4
250.06250	0.8
251.07106	2.6
253.04993	0.7
255.06436	0.7
255.10127	2.3
257.08029	0.6
258.08884	0.9
259.09628	3.5
265.08347	0.6
265.10867	0.7
267.06458	2.2
267.12329	1.4
268.07315	4.1
269.08063	5.2
270.08582	0.5
271.09525	0.7
273.08356	0.3
273.11209	6.1
277.10696	0.4
283.09650	27.0
284.10196	1.3
286.08353	1.7
287.09134	0.6
289.18042	0.4
291.12250	0.4
297.13339	0.5
301.10699	30.4
302.10986	0.9
313.18051	0.4
319.08371	0.5
319.11810	4.1
331.18991	1.8
333.13431	0.6
337.12970	0.5
349.20047	1.6
351.14246	0.4
363.38898	0.3
391.21024	1.0
411.17984	0.7
421.22162	0.4
429.18997	0.4
457.22058	1.3
475.23370	0.6
489.17780	0.6
507.20197	0.4
525.20972	1.0
543.22205	0.7
631.28986	2.8
649.30121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01861	0.2
55.05500	0.2
59.04994	0.1
67.01849	0.5
67.05494	0.5
68.99789	0.5
69.03422	0.9
69.07058	0.2
71.04974	0.2
71.59559	0.2
71.59982	0.1
73.96584	0.1
79.05473	0.5
79.83047	0.1
81.03416	1.7
81.07060	0.8
83.01378	0.1
83.04949	0.2
85.02880	0.7
90.74292	0.1
91.05469	1.1
93.07030	1.0
95.04926	0.3
95.08596	0.6
97.02899	1.8
99.04435	0.4
103.05455	0.2
105.07028	1.6
107.04926	0.3
107.08591	1.3
109.02874	8.7
109.06534	0.6
109.10129	0.5
111.04414	0.3
111.08038	0.6
113.05978	0.1
117.06979	0.3
119.04893	0.1
119.08583	3.4
121.06488	0.4
121.10140	1.1
123.08066	1.1
123.11726	0.3
125.06006	1.3
125.09626	7.6
127.03912	7.1
127.04665	0.1
131.04933	0.1
131.08568	0.3
133.06480	0.4
133.10126	2.4
135.08006	0.2
135.11676	0.4
137.05977	0.4
137.09590	0.3
139.03854	0.2
143.08537	0.3
144.31902	0.1
145.04950	1.0
145.06538	0.2
145.10121	0.4
147.04411	0.7
147.08043	1.6
149.05887	0.2
151.03909	0.8
151.07579	0.2
151.11195	0.4
153.01779	0.4
159.11745	0.1
160.81752	0.1
161.09615	2.1
163.11140	0.3
165.05452	0.2
165.09103	2.4
167.07021	0.7
169.04964	0.3
173.06013	0.1
173.09515	0.1
175.11194	0.6
179.10701	1.4
181.04936	0.3
189.09108	1.4
193.04955	100.0
194.05257	1.2
202.85789	0.1
205.05040	0.1
207.10168	2.3
217.05008	0.2
225.11211	6.1
235.06055	0.7
259.06015	0.3
267.12341	0.6
271.17001	0.3
283.06198	0.2
285.18381	0.2
289.18002	0.2
297.13330	0.3
301.07117	0.4
303.19623	0.1
313.18015	0.3
315.12180	0.2
331.19006	1.8
333.13303	0.6
349.20114	1.3
351.14380	1.1
391.21234	0.7
417.15631	0.2
421.22250	0.2
429.23035	0.1
457.22223	1.4
475.23328	1.2
685.28235	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	685.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01861	0.2
55.05500	0.2
59.04994	0.1
67.01849	0.5
67.05494	0.5
68.99789	0.5
69.03422	0.9
69.07058	0.2
71.04974	0.2
71.59559	0.2
71.59982	0.1
73.96584	0.1
79.05473	0.5
79.83047	0.1
81.03416	1.7
81.07060	0.8
83.01378	0.1
83.04949	0.2
85.02880	0.7
90.74292	0.1
91.05469	1.1
93.07030	1.0
95.04926	0.3
95.08596	0.6
97.02899	1.8
99.04435	0.4
103.05455	0.2
105.07028	1.6
107.04926	0.3
107.08591	1.3
109.02874	8.7
109.06534	0.6
109.10129	0.5
111.04414	0.3
111.08038	0.6
113.05978	0.1
117.06979	0.3
119.04893	0.1
119.08583	3.4
121.06488	0.4
121.10140	1.1
123.08066	1.1
123.11726	0.3
125.06006	1.3
125.09626	7.6
127.03912	7.1
127.04665	0.1
131.04933	0.1
131.08568	0.3
133.06480	0.4
133.10126	2.4
135.08006	0.2
135.11676	0.4
137.05977	0.4
137.09590	0.3
139.03854	0.2
143.08537	0.3
144.31902	0.1
145.04950	1.0
145.06538	0.2
145.10121	0.4
147.04411	0.7
147.08043	1.6
149.05887	0.2
151.03909	0.8
151.07579	0.2
151.11195	0.4
153.01779	0.4
159.11745	0.1
160.81752	0.1
161.09615	2.1
163.11140	0.3
165.05452	0.2
165.09103	2.4
167.07021	0.7
169.04964	0.3
173.06013	0.1
173.09515	0.1
175.11194	0.6
179.10701	1.4
181.04936	0.3
189.09108	1.4
193.04955	100.0
194.05257	1.2
202.85789	0.1
205.05040	0.1
207.10168	2.3
217.05008	0.2
225.11211	6.1
235.06055	0.7
259.06015	0.3
267.12341	0.6
271.17001	0.3
283.06198	0.2
285.18381	0.2
289.18002	0.2
297.13330	0.3
301.07117	0.4
303.19623	0.1
313.18015	0.3
315.12180	0.2
331.19006	1.8
333.13303	0.6
349.20114	1.3
351.14380	1.1
391.21234	0.7
417.15631	0.2
421.22250	0.2
429.23035	0.1
457.22223	1.4
475.23328	1.2
685.28235	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	685.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.01886	1.3
55.05516	1.8
57.03434	0.8
59.04995	0.9
65.03962	0.6
67.01860	0.7
67.05516	2.1
69.03433	7.1
69.07075	2.1
71.04995	2.4
71.59819	0.7
73.02904	0.8
79.05504	4.8
81.03418	18.1
81.07058	6.6
83.01358	1.1
83.04986	1.1
85.02922	1.9
85.06561	0.6
91.05479	8.2
93.07042	9.9
95.04967	2.1
95.08604	7.3
97.02889	17.1
97.03515	0.9
97.06538	1.1
99.04446	3.3
103.05470	0.8
105.03423	0.5
105.07033	13.4
105.07681	1.0
107.04938	1.0
107.08591	13.3
109.02881	96.3
109.06510	5.2
109.10172	3.1
110.03168	0.6
111.04433	2.3
111.08086	4.1
113.05997	0.8
115.03934	0.8
117.07006	1.5
119.04924	0.7
119.08582	32.9
121.06511	3.2
121.10145	10.9
122.03699	0.5
123.04459	0.8
123.08064	11.0
123.11703	3.3
124.08839	1.3
125.09632	70.4
126.09984	0.7
127.03919	67.3
128.04260	0.6
128.06195	0.8
129.06985	1.1
131.08589	2.2
133.02866	11.0
133.06505	1.4
133.10133	28.2
135.08054	1.9
135.11697	2.7
137.05995	4.7
137.09612	4.8
143.08548	4.6
145.04973	7.5
145.06479	1.3
145.10092	2.6
146.07254	0.8
146.10460	0.5
147.08055	16.1
147.11708	0.6
149.06004	1.9
149.09624	0.8
151.07571	1.9
151.11197	3.8
157.10095	1.2
159.11703	1.3
161.09622	18.2
163.07608	1.2
163.11174	2.8
165.05473	1.5
165.09114	20.2
166.09497	1.0
167.06941	0.8
171.08052	0.5
171.11655	0.7
173.13316	0.8
175.11148	1.2
177.05545	0.5
178.02609	4.9
179.10674	17.0
181.04990	0.8
183.11797	0.6
183.83984	0.5
185.13312	0.7
189.09111	15.5
189.12750	0.8
191.07031	0.8
193.04965	100.0
194.05171	1.0
197.13304	0.6
199.11267	0.6
199.14841	0.6
203.10544	0.6
207.10162	23.6
215.10654	0.6
225.11209	47.6
229.15874	0.7
231.13757	0.8
233.11794	0.9
233.15338	0.8
249.11282	1.0
267.12244	6.0
271.16867	1.4
285.18533	1.8
289.18011	2.4
295.16879	0.9
297.13602	1.3
303.19516	1.1
313.17923	3.7
315.12189	2.3
331.19031	11.1
333.13333	5.7
349.20105	8.2
351.14420	8.6
367.21213	1.0
391.21252	4.7
421.22009	0.9
439.21082	1.2
446.80023	0.7
457.22235	10.7
475.23215	6.1
493.23889	0.7
665.68658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
54.08310	0.1
55.01856	0.2
55.05511	0.3
65.03938	0.2
67.01861	0.8
67.05500	0.4
68.99770	0.6
69.03436	1.3
69.07053	0.2
69.11187	0.1
70.98332	0.3
71.04992	0.3
79.05490	0.5
81.03418	1.9
81.07060	0.7
82.71549	0.1
83.01348	0.1
83.04948	0.3
85.02910	0.7
89.20608	0.1
91.01853	0.2
91.05478	1.1
93.07063	1.2
95.04974	0.4
95.08601	0.9
97.02898	1.9
99.04460	0.3
99.19842	0.1
102.55652	0.1
103.05468	0.2
103.40013	0.1
103.69347	0.1
105.07040	1.5
107.04948	0.3
107.08604	1.3
108.90587	0.1
109.02880	9.0
109.06505	0.9
109.10131	0.5
111.04420	0.4
111.08055	0.5
115.05460	0.2
115.23885	0.1
117.07018	0.1
117.54264	0.1
119.04902	0.4
119.08580	3.3
121.06459	0.4
121.10160	1.5
123.04405	0.2
123.08070	1.1
123.11670	0.3
125.06010	1.1
125.09631	8.5
127.03918	7.4
131.08624	0.2
133.06473	0.3
133.10126	3.3
135.08040	0.3
135.11661	0.4
137.05992	0.6
137.09622	0.4
137.45163	0.1
143.08548	0.6
145.04938	0.6
145.10088	0.3
147.04408	2.5
147.08035	1.7
149.05971	0.2
151.03917	1.1
151.07535	0.2
151.11125	0.4
153.01791	0.5
159.08096	0.2
161.09622	2.3
163.03917	0.6
163.11171	0.4
165.05473	0.2
165.09100	2.2
167.07056	0.6
167.10724	0.1
167.88017	0.1
169.04980	0.6
171.02919	0.2
175.03947	0.2
175.11172	0.5
177.05411	0.2
179.10684	1.9
189.09114	1.6
191.06970	0.3
193.04964	100.0
194.05286	1.5
204.10242	0.3
205.04863	0.2
207.10159	3.0
207.12054	0.3
225.11214	7.3
235.06111	0.6
259.05954	0.3
267.12265	0.5
271.16986	0.2
289.17953	0.4
301.07037	0.5
303.19409	0.2
313.18033	0.3
315.12207	0.2
331.19107	2.0
333.13370	0.9
349.20084	1.5
350.20572	0.2
351.14484	0.9
367.20834	0.2
391.21063	0.6
398.35120	0.1
421.22141	0.4
439.20926	0.2
457.22278	2.0
468.86615	0.2
475.23383	1.3
493.23044	0.2
511.23355	0.2
652.92981	0.1
667.27319	0.2
685.28326	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	685.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03938	0.9
55.01865	0.8
55.05508	2.9
57.03422	1.0
57.07067	0.6
61.02926	1.3
65.03932	0.8
66.35474	0.2
67.01851	0.3
67.05166	0.4
67.05505	5.9
68.99789	2.0
69.03427	3.5
69.07068	4.7
71.04970	0.7
71.57758	0.5
71.73097	0.2
73.02890	0.5
79.05492	4.4
81.03409	2.3
81.07057	9.4
83.01346	0.4
83.04971	0.4
83.08603	1.3
85.02907	8.8
85.10173	0.3
88.62956	0.3
89.51529	0.2
89.93829	0.3
89.95802	0.2
91.03953	0.5
91.05481	10.5
93.03408	0.4
93.07046	7.5
95.04979	1.4
95.08607	12.4
96.08934	0.4
97.02904	3.8
97.10155	0.9
99.04444	1.9
103.05478	0.3
105.07030	22.3
107.04942	0.6
107.08595	8.2
109.02872	1.7
109.06523	0.4
109.10153	11.9
109.70824	0.3
111.00817	2.2
111.04469	0.4
111.11706	0.3
115.05489	0.3
117.06994	1.3
119.01281	0.3
119.04924	0.4
119.08582	21.2
120.08845	0.4
121.02853	1.4
121.06485	0.3
121.10143	7.1
123.04414	1.2
123.08045	0.4
123.11697	3.5
127.03931	2.3
129.07018	0.4
131.04947	0.3
131.08549	1.0
133.10126	10.3
135.04402	0.7
135.11705	2.5
135.55058	0.3
137.02356	3.1
137.13252	0.5
139.03879	0.9
145.04959	1.1
145.06432	0.5
145.10143	1.8
147.04404	2.6
147.11685	31.3
148.12036	0.4
149.02350	0.7
149.05997	0.5
149.13264	1.6
153.01826	20.8
155.04951	0.3
159.04413	0.4
159.11739	0.7
161.05997	1.1
161.13246	4.7
163.03934	1.6
163.14781	0.6
165.01822	2.6
166.07732	0.3
169.06450	0.4
171.02864	0.6
173.05994	0.8
173.13297	0.5
175.03917	2.2
175.14841	1.1
177.05490	0.7
177.16379	2.1
179.03387	1.8
183.02908	1.2
183.04312	0.3
185.05977	0.5
187.03877	0.9
189.05472	1.4
189.16452	0.8
191.03427	1.0
191.07083	0.3
191.17941	0.5
195.02782	0.3
197.05913	0.5
199.03996	0.4
201.05458	2.8
201.16374	1.6
203.03404	9.2
203.17957	17.5
204.18454	1.1
205.19510	0.7
213.05460	0.9
215.07074	0.3
217.04965	6.2
219.02994	0.4
219.06583	0.7
227.06953	0.4
229.04956	6.1
231.02837	0.5
231.06528	0.7
241.04907	0.5
243.06415	0.4
245.04451	6.6
247.06070	0.6
253.04878	0.5
257.04507	3.0
259.05981	1.7
267.10144	0.3
269.04453	0.5
271.06003	1.0
273.03949	11.7
274.04614	1.1
275.05405	0.5
279.06363	0.5
283.05832	0.3
285.04041	1.7
287.05463	1.2
295.06155	0.4
295.09433	0.3
297.03940	0.8
299.05548	1.7
301.03430	10.5
302.04056	0.3
303.04987	100.0
303.23270	0.8
304.05365	2.1
304.23352	0.9
311.05511	0.7
313.03439	2.9
315.04965	10.4
317.06567	0.4
321.18472	0.7
323.05502	0.7
323.19855	0.3
325.06955	0.3
327.04865	0.4
329.06451	0.4
337.07062	0.6
339.05139	0.3
341.06622	0.4
361.17676	0.4
363.08597	1.0
375.12079	0.4
379.11847	0.4
381.09561	0.7
403.11429	0.7
409.12738	0.6
421.12817	1.8
431.14981	0.4
449.15771	1.2
449.22168	0.5
459.21576	0.8
469.19989	0.7
477.22653	0.7
487.21237	2.5
488.22107	0.3
505.22220	17.0
506.22382	0.7
523.23627	0.3
535.31543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03940	2.7
55.01864	1.2
55.05260	0.6
55.05508	7.5
57.03225	0.3
57.03439	2.9
57.07081	0.6
61.02914	0.5
65.03932	1.3
67.05502	25.1
69.03423	0.5
69.07066	5.9
69.12036	0.3
70.75793	0.8
70.76126	0.7
71.04981	1.1
72.04517	0.3
73.06551	1.5
79.05490	36.1
80.05838	0.4
81.02985	0.4
81.03423	4.8
81.07053	21.5
83.04976	7.5
83.08613	3.8
85.02904	1.3
85.06545	1.4
87.04490	0.4
89.68034	0.3
91.05475	29.8
93.07039	38.4
94.07358	0.6
95.04967	11.3
95.08601	13.9
97.02894	1.0
97.06528	2.5
97.10171	1.8
99.08133	0.4
103.05456	0.9
104.82224	0.3
105.04512	0.9
105.07026	21.6
106.07334	0.4
107.04951	3.1
107.08593	10.2
109.06516	3.5
109.10148	2.5
111.08083	0.8
115.05457	0.6
117.07008	4.3
119.04943	0.9
119.08571	14.9
121.06506	1.9
121.10130	2.5
123.08067	4.2
127.07555	0.6
128.06230	1.1
129.07001	9.4
131.08519	1.8
133.06548	0.6
133.10121	6.6
135.04443	0.4
135.08055	0.7
135.11734	1.7
139.99110	0.4
141.09047	0.4
143.08562	5.4
145.10117	5.4
147.04411	3.0
147.08041	1.6
147.11682	22.0
155.08488	0.4
159.11763	0.7
161.09618	2.5
161.13239	8.0
163.03935	1.5
163.11198	1.3
165.09131	0.4
169.10129	0.4
171.11681	16.7
179.14276	0.8
184.07260	0.4
189.12732	7.8
205.27138	0.3
207.13792	17.8
208.14053	0.5
225.14806	2.2
263.16434	1.3
281.17459	43.1
282.17734	1.0
317.82104	0.4
459.30969	0.4
469.29248	1.7
483.13104	0.5
487.30530	100.0
488.30911	5.7
543.36633	1.5
571.01556	0.4
684.43872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04211	0.3
53.03935	1.6
55.01870	0.8
55.05510	4.1
57.03428	0.8
57.07077	0.5
59.04984	1.4
59.74598	0.4
61.02918	0.4
65.03946	0.7
67.05505	6.9
69.03422	2.7
69.07069	3.0
71.05008	0.7
71.57990	0.6
73.02900	0.5
77.03918	0.5
77.57960	0.4
78.33238	0.4
79.05492	4.0
80.05830	0.4
81.03424	3.8
81.07054	7.3
83.04967	1.3
83.08619	2.2
85.02428	0.7
85.02907	8.5
87.00834	3.5
91.05465	5.6
93.07048	9.1
95.04963	1.8
95.08609	38.1
96.08935	0.6
97.02905	5.9
97.06509	0.5
97.10161	1.4
99.04463	2.0
101.06004	1.2
105.01874	6.9
105.07040	7.3
107.04951	1.2
107.08595	13.1
109.02888	7.5
109.06503	1.2
109.10155	10.3
109.10906	0.5
111.04443	2.5
115.34089	0.4
117.07034	1.0
119.04922	0.6
119.07055	1.2
119.07797	0.6
119.08585	9.7
120.96638	0.7
121.06487	1.4
121.10152	10.6
123.11718	5.2
125.05153	0.7
125.05993	6.1
125.09570	0.5
127.03918	7.4
128.04147	0.4
129.07047	0.7
131.08507	2.0
133.06502	0.7
133.10129	8.4
135.04381	0.6
135.08066	0.6
135.11710	6.5
136.65652	0.4
137.05974	2.4
137.09631	0.5
139.07529	0.5
143.08540	2.8
145.04950	1.9
145.06337	0.6
145.10121	4.1
147.04405	0.6
147.08031	0.7
147.11682	4.7
149.06000	0.9
149.09552	0.5
149.13289	3.3
151.07555	0.9
151.11151	0.9
153.09052	0.5
157.10132	2.8
159.02902	0.7
159.08090	0.6
159.11685	4.7
161.09636	3.3
161.13266	3.5
163.03909	1.4
163.07487	1.2
163.11115	0.5
163.14764	1.0
165.09102	0.5
167.07088	2.4
167.10806	0.5
169.10135	1.3
171.11684	1.7
173.09637	1.2
173.13254	2.5
175.14830	0.8
179.10718	3.6
181.04936	1.8
181.08571	0.5
185.09622	0.8
185.13277	2.8
187.11151	2.6
187.14835	1.4
189.08969	0.8
189.16475	0.5
191.07053	0.7
191.10637	0.6
191.35722	0.4
193.04935	0.8
193.12228	0.7
197.13170	0.5
199.11215	0.9
199.14781	1.9
201.12720	0.9
201.16447	1.1
203.10657	0.8
203.17902	3.3
205.12260	2.2
207.13803	0.6
209.08107	2.1
213.03879	2.1
213.12756	1.6
213.16304	0.5
217.12250	1.3
219.13794	1.4
227.14345	0.7
227.18105	0.5
230.63364	0.4
231.04980	3.1
231.13786	3.5
239.17972	1.8
241.15833	0.5
241.19472	1.4
245.15396	2.1
249.06050	0.9
251.09192	0.7
255.21074	3.0
257.22696	0.5
259.16803	0.5
265.19586	0.8
283.20572	4.6
301.21625	100.0
302.21988	3.5
303.22537	0.5
319.06134	0.4
355.12619	0.6
409.23947	0.6
446.52060	0.4
684.23877	0.7
684.36157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01871	4.8
55.05504	9.9
57.03419	3.1
57.07075	3.1
61.02912	2.8
67.05503	18.5
67.60155	1.3
69.03427	18.7
69.07059	14.2
71.04985	7.5
72.30191	1.2
73.02911	3.4
79.05481	11.3
81.03408	14.8
81.07052	30.0
83.05001	2.1
83.08614	8.1
85.02901	53.6
87.00829	22.8
91.03964	1.6
91.05453	11.5
93.07042	34.0
95.04983	4.0
95.08603	100.0
96.08930	2.0
97.02894	26.0
97.06554	3.9
97.10172	7.1
99.04452	96.7
105.01862	59.8
105.07024	21.9
107.07861	2.6
107.08590	51.0
109.02877	28.4
109.06513	2.4
109.10151	61.5
113.91991	1.3
117.05494	15.9
117.06972	2.8
119.08577	39.7
121.10138	52.1
123.08067	3.7
123.11705	18.0
125.05985	4.4
125.09623	1.5
127.03911	62.0
131.08549	7.5
133.09125	2.0
133.10121	32.0
135.11691	39.4
137.09631	3.2
137.13283	4.2
139.07553	3.4
141.09135	2.3
143.08575	1.4
145.04950	22.9
145.10126	14.8
147.02910	2.2
147.04433	2.0
147.11681	23.0
147.87729	1.5
149.13246	21.9
153.09077	1.5
153.12730	1.9
155.10632	1.7
157.10089	3.8
159.02879	7.8
159.11681	19.5
161.13240	23.1
163.03935	4.7
163.11136	2.0
163.14803	15.6
167.10609	1.7
169.10109	2.0
171.11682	4.1
173.13278	13.8
175.11121	2.3
175.14801	9.9
177.16388	2.4
181.12289	5.4
185.13248	3.4
187.14835	13.8
189.12782	3.0
189.16380	9.3
191.07083	1.6
191.17976	12.1
193.12187	3.7
197.13263	1.8
199.14957	2.2
201.12769	2.5
201.16310	9.9
203.17958	40.3
207.13725	8.1
211.14786	2.2
213.03915	15.4
213.16368	1.5
215.17960	3.9
219.13899	2.4
221.15361	4.8
231.02699	2.7
231.04988	41.9
233.15359	8.2
243.17561	2.3
243.21155	4.5
247.16992	5.0
249.06067	20.9
257.22632	42.2
267.21106	5.4
269.38800	1.5
285.22052	20.3
285.24838	2.0
301.21561	2.8
303.04950	1.5
303.23166	90.0
304.23587	2.4
357.17041	1.3
358.83273	1.4
515.26233	2.4
533.27533	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	684.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.05503	8.8
55.40591	1.1
57.03426	2.7
57.07071	2.1
59.05009	1.6
61.02921	3.0
67.05171	2.0
67.05503	25.2
69.03419	13.9
69.07068	9.0
70.00901	1.3
71.04980	3.8
71.08627	2.3
71.59694	2.1
72.40227	1.2
73.85300	1.3
79.05489	16.2
81.03405	9.9
81.07052	24.2
83.04979	2.6
83.08611	6.6
85.02895	15.7
87.00829	4.1
91.05453	14.8
91.51599	1.4
92.05775	1.3
93.07043	24.6
95.04984	6.1
95.08603	100.0
97.02888	35.1
97.06545	1.3
97.10165	4.9
99.04449	5.0
101.29222	1.3
104.60438	1.2
105.01864	5.2
105.07023	24.8
105.07681	2.0
106.34583	1.3
107.08588	33.3
109.02876	6.5
109.06499	2.4
109.10153	35.0
111.08115	1.8
111.11727	2.0
115.03951	1.2
117.07029	2.9
119.04984	1.6
119.08571	33.4
121.10136	28.3
123.08047	3.1
123.11691	9.7
123.54790	1.3
125.05985	3.5
127.03902	16.8
128.06213	1.9
129.07019	3.8
131.08574	6.4
133.10126	22.8
135.11685	25.2
137.09721	1.2
137.13283	4.0
139.07535	2.9
143.08618	3.1
145.04944	11.6
145.10133	13.1
147.04398	6.8
147.08060	1.7
147.11687	28.3
149.13243	10.4
153.09050	1.5
157.10121	2.5
159.02831	1.6
159.11682	10.7
161.13258	21.0
161.39107	1.3
163.03873	5.4
163.11140	2.7
163.14871	7.9
164.04137	1.8
171.11696	6.4
173.13219	11.4
173.86392	1.5
175.11153	1.6
175.14807	6.4
179.14352	2.2
181.12329	3.1
185.13309	2.6
187.14781	13.2
189.12733	6.0
189.16368	6.4
191.17978	3.5
193.12337	2.8
195.13907	1.3
197.13336	1.9
199.14882	1.9
201.16380	7.0
203.17946	45.9
204.18280	1.7
207.13789	11.7
215.17982	2.3
221.15350	3.9
229.15771	2.3
231.04939	3.0
233.15282	9.5
243.21056	4.1
247.17006	3.3
257.22647	37.1
261.91122	1.4
267.21121	2.5
281.17538	9.4
285.22147	19.7
303.23172	97.1
487.30524	22.9
488.31033	1.5
543.36865	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	684.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01881	2.8
55.05502	10.4
57.03408	1.6
57.07057	2.4
61.02918	3.1
65.03922	2.2
65.21382	1.1
67.05506	22.0
69.03429	15.6
69.03774	2.1
69.07071	11.3
70.47181	0.9
71.04990	4.5
71.57215	2.0
72.98642	0.9
73.02908	2.7
79.05493	12.1
81.03415	13.6
81.07057	26.8
83.04959	2.4
83.08621	9.1
85.02513	0.8
85.02903	35.9
87.00820	19.9
91.05468	10.0
93.07045	28.5
95.04985	3.4
95.08604	100.0
96.08955	1.1
97.02882	26.7
97.06563	1.5
97.10172	4.3
99.04430	10.8
101.05994	1.5
105.01865	37.7
105.07029	19.7
107.04941	1.9
107.07856	2.6
107.08593	51.5
109.02879	22.2
109.06522	2.8
109.10156	49.6
111.04378	1.2
111.08089	1.4
111.11718	2.2
117.07047	2.1
119.08576	40.2
121.06532	1.7
121.10142	42.9
123.08054	3.6
123.11696	15.1
125.05981	7.3
125.09586	1.8
127.03915	53.3
129.07001	1.3
131.08569	6.7
132.35301	1.1
133.06502	1.6
133.10124	29.8
135.07964	1.1
135.11688	33.8
137.09586	2.5
137.13254	3.7
139.07578	1.6
141.09151	2.4
143.08539	2.6
145.04967	17.1
145.10117	12.5
147.04419	2.1
147.11684	25.7
149.09608	1.4
149.13269	16.7
151.07504	1.8
153.09138	2.0
155.10593	1.7
156.09360	1.5
157.10179	3.3
159.02928	5.1
159.11684	15.2
161.09589	2.4
161.13258	20.1
163.03984	1.5
163.11107	2.0
163.14824	13.9
165.09114	3.1
167.07045	1.7
169.10139	2.0
171.11714	5.4
173.13248	16.8
175.14806	8.6
179.10655	2.2
180.98222	1.0
181.12221	3.8
183.11766	1.6
185.13176	1.9
187.01927	1.1
187.11205	2.7
187.14798	9.3
189.12721	2.7
189.16385	3.5
191.07127	1.3
191.17917	9.1
193.08572	1.1
193.10635	1.1
193.12302	4.6
195.13747	1.2
197.13283	2.0
199.14861	2.6
201.16376	9.2
203.17955	32.3
205.12259	1.5
207.13733	5.9
211.14819	2.7
213.03915	14.6
215.17957	3.6
219.13824	2.6
220.10715	1.2
221.15363	3.2
225.07591	5.5
225.11215	1.4
229.15852	1.9
231.05002	30.4
233.11430	1.1
233.15375	9.3
239.18001	1.2
243.21112	3.3
247.16963	3.0
249.06100	10.9
257.22632	35.5
259.24487	1.5
261.18530	1.1
267.21121	6.3
267.71375	1.1
283.20676	1.4
285.22131	19.8
301.21591	31.0
303.23172	68.6
304.23404	1.9
319.63992	1.1
329.08670	2.5
347.09760	6.1
365.10785	3.4
395.01605	1.2
475.57245	1.2
533.27148	4.8
536.22888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18073	1.0
52.25294	1.4
53.03946	7.7
55.01874	8.5
55.05506	8.4
57.03435	5.4
57.07075	1.4
60.04524	1.2
61.02925	5.2
61.63358	1.2
65.03940	1.5
67.05504	21.3
68.99792	2.2
69.03429	23.9
69.07064	9.2
70.61521	2.6
71.04984	4.8
73.02907	7.4
73.66037	1.0
79.05486	7.3
81.03415	27.8
81.07055	19.5
83.04964	5.3
83.08620	4.6
85.02901	59.7
85.06535	2.2
87.00828	22.4
87.04471	1.6
91.03956	1.1
91.05442	9.8
93.07041	17.8
95.04956	15.4
95.08604	73.0
97.02890	41.1
97.06517	3.4
97.10168	3.5
99.04446	12.3
103.11806	1.2
105.01859	19.1
105.07030	15.8
107.08598	26.8
108.04494	2.8
108.08875	1.1
109.02875	26.3
109.06519	2.9
109.10154	28.8
111.08080	1.5
115.07707	1.4
117.01851	2.7
117.06979	1.7
119.04929	2.7
119.08584	31.6
121.06498	2.7
121.10141	28.9
123.08045	2.6
123.11724	13.2
125.06002	2.1
125.09624	1.6
126.05532	1.8
127.03918	52.8
129.01840	3.1
129.06999	1.3
131.08569	5.9
133.10117	22.5
135.08043	2.3
135.11678	23.6
137.09605	2.2
137.13260	3.7
139.07571	1.4
143.08554	3.0
145.04962	22.4
145.10120	12.7
147.02905	2.5
147.04404	11.6
147.11668	19.4
149.13219	11.0
156.09282	1.9
157.10141	4.4
159.02876	18.1
159.11684	18.4
161.13249	15.0
163.03900	3.7
163.11182	3.0
163.14778	7.8
169.10086	1.9
171.11639	7.3
172.12566	1.1
173.13249	13.5
175.11235	3.2
175.14856	7.2
177.12762	3.5
177.16379	1.5
179.10556	1.4
181.12233	3.5
183.11687	2.4
185.13321	5.4
187.11179	1.5
187.14824	13.1
189.12735	3.1
189.16422	6.6
191.17934	3.7
193.12230	3.2
197.08070	4.9
197.13283	2.9
199.14842	4.4
201.12790	2.6
201.16367	8.5
203.14209	2.1
203.17960	30.7
205.12257	1.4
205.15953	1.4
207.13823	5.7
211.14813	2.3
213.03949	5.0
213.16417	1.9
215.14243	2.0
215.18002	3.6
221.15329	2.7
227.17897	1.2
229.19441	1.8
231.04941	9.9
233.15393	5.8
239.17876	1.4
241.19501	5.2
243.17696	1.2
243.21085	2.3
247.17044	2.5
248.07657	3.0
255.21124	3.8
257.22629	37.6
259.24289	1.4
265.19501	1.9
267.21198	5.8
273.22141	5.1
283.20538	6.0
285.22125	22.9
298.89221	1.4
301.21609	19.7
303.04980	2.2
303.08545	2.1
303.23175	100.0
319.22662	4.4
320.25879	2.7
393.24261	2.3
419.28119	1.6
497.25012	1.8
515.26184	3.0
533.27509	10.5
695.29053	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
53.70626	0.9
55.01868	5.7
55.05507	7.4
57.03429	3.0
57.07064	1.9
59.04997	1.0
61.02914	3.3
65.03939	1.8
67.05505	21.3
68.99796	1.7
69.03076	1.1
69.03427	16.4
69.07069	7.6
70.15681	3.3
70.57066	0.8
71.04985	3.4
73.02921	4.1
74.74466	0.7
76.07656	0.7
79.05492	3.3
80.71239	0.7
81.02976	1.5
81.03416	18.4
81.07055	10.9
83.04980	13.5
83.08633	3.8
83.68999	0.8
85.02904	39.5
85.06533	1.7
87.00831	13.9
91.03925	1.2
91.05456	4.5
93.07057	8.9
95.04967	38.3
95.08043	1.6
95.08604	18.9
97.02889	24.2
97.06520	3.7
97.10166	2.5
98.20787	1.2
99.04453	9.9
99.08101	1.9
101.06062	0.8
105.01867	13.5
105.07034	9.7
107.00116	0.9
107.08594	15.2
108.04491	1.5
109.02876	24.4
109.06508	3.1
109.10152	14.6
109.82726	0.7
110.83982	0.7
111.08081	3.2
111.11733	0.9
113.05979	1.2
115.03912	1.0
117.01847	3.1
117.07011	2.5
119.08585	22.7
121.06544	1.7
121.10139	16.0
123.08077	2.8
123.11703	8.7
125.05965	1.1
125.09622	1.7
127.03922	34.8
127.07580	1.0
129.01828	1.7
129.06985	1.3
131.08546	5.8
131.50928	0.8
133.10147	16.6
135.08061	3.9
135.11696	8.3
137.09602	4.1
137.13248	1.6
139.07503	1.1
142.07788	1.4
143.08560	3.4
144.09309	1.0
145.04956	13.2
145.10127	12.9
147.02911	2.4
147.11678	12.8
147.76497	0.8
149.09613	2.8
149.13316	3.8
151.07655	1.0
151.11214	1.9
155.08548	1.1
156.09354	0.9
157.10129	7.5
159.02881	11.6
159.11699	16.6
161.09605	3.4
161.13268	9.6
163.11156	3.6
163.14824	2.6
165.12749	2.2
169.10132	1.4
170.10941	1.5
171.11707	8.2
173.09605	2.1
173.13261	8.9
175.11198	6.5
175.14832	6.1
177.09183	0.9
177.12772	6.5
177.16409	2.6
179.10631	0.7
183.11697	2.9
185.13251	10.3
187.11148	1.4
187.14799	9.6
189.12737	2.5
189.16370	8.4
191.10695	1.9
191.14413	1.3
193.12239	1.7
197.13344	2.4
199.11148	1.4
199.14780	7.4
201.16429	7.4
203.14272	4.7
203.17979	1.5
205.12291	1.8
205.15887	3.9
207.13672	1.3
209.13284	1.1
211.14851	2.0
213.03940	3.2
213.12755	1.5
213.16408	3.0
215.14346	1.4
215.17900	2.2
217.15854	1.7
219.13838	1.2
223.14793	1.3
223.31331	0.8
225.16405	1.0
227.14265	2.2
227.17944	1.6
229.15891	1.8
229.19470	2.1
231.05032	7.4
231.13766	2.6
231.17567	1.0
231.21156	1.2
239.17873	1.4
241.15834	2.2
241.19533	11.6
243.17476	1.5
245.15381	2.0
245.19077	1.1
245.22723	2.0
248.07474	0.8
252.61230	0.8
255.21094	16.8
257.18951	2.5
257.22653	2.0
259.16922	1.5
259.20581	6.8
265.19550	3.4
273.22110	19.3
275.20197	1.1
283.20554	23.7
301.21616	100.0
302.21893	2.0
303.23251	2.8
319.22668	33.9
319.26474	1.6
401.26691	2.3
419.27948	9.4
531.25806	1.0
549.26685	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	684.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01862	1.0
55.05504	6.0
56.58043	0.7
57.03429	1.6
57.07055	2.1
59.04973	0.7
61.02913	1.8
67.05505	12.6
69.03429	7.6
69.07075	5.9
69.55583	2.0
69.56002	3.7
71.04993	7.6
79.05487	5.4
81.03419	5.3
81.07059	17.0
83.01346	1.1
83.08614	5.1
85.02902	10.4
85.06525	1.1
86.38286	0.6
87.00822	4.6
87.04450	1.2
91.05456	5.4
92.05779	0.7
93.07040	16.5
95.04961	4.8
95.08607	82.5
96.08939	1.7
97.02279	1.4
97.02895	27.8
97.06525	2.8
97.10167	3.5
99.04453	9.8
105.01874	4.3
105.07033	11.4
107.04951	1.1
107.08595	26.6
109.02888	4.9
109.06519	1.4
109.10156	33.6
111.08096	1.1
115.03921	1.0
117.05479	1.7
117.06959	1.7
119.08576	20.2
121.06493	1.2
121.10143	22.8
123.08044	1.3
123.11710	9.5
125.05996	4.5
125.09666	0.9
127.03908	13.3
129.06920	0.8
131.08554	4.1
133.10133	20.2
135.08131	0.6
135.11694	31.4
137.09592	1.5
137.13249	2.8
139.07553	2.2
143.08612	1.0
144.09344	0.8
145.04942	10.1
145.10130	9.6
147.08049	0.7
147.11682	16.0
149.13272	11.4
151.14760	0.9
153.09134	1.7
153.12727	1.5
157.10098	1.7
159.02898	0.8
159.11696	12.3
161.09575	1.1
161.13251	13.7
161.14575	0.9
163.03951	1.9
163.11249	3.3
163.14819	6.3
165.09140	0.8
169.10121	1.5
171.11708	3.1
172.12564	0.7
173.09518	1.0
173.13263	12.6
175.11171	0.8
175.14862	6.7
177.12718	0.9
177.16400	1.3
181.10817	0.6
181.12209	4.6
183.11707	1.7
185.13248	2.5
187.14803	11.7
189.12801	2.0
189.16422	4.7
191.17900	3.9
193.12239	2.4
197.13260	2.4
199.14841	1.6
201.16362	7.1
203.14276	1.3
203.17958	40.8
207.13779	6.4
209.15393	0.8
211.14786	1.3
213.16289	1.1
215.14336	2.3
215.17943	2.3
219.13795	1.5
221.15347	4.0
225.16394	1.1
229.15863	1.3
229.19501	1.3
231.05026	2.9
233.15364	8.7
241.19481	2.2
243.17497	1.3
243.21109	3.3
247.16853	1.7
255.21098	1.2
257.22632	33.3
259.24112	1.2
267.21060	7.8
285.22134	26.9
301.21582	3.8
302.22003	2.3
303.23184	100.0
304.23535	2.0
401.26776	1.4
419.28113	1.0
491.80215	0.8
685.25739	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01871	6.5
55.05503	6.0
57.03436	3.5
57.07052	1.5
61.02921	3.5
65.03942	1.4
65.05924	0.8
67.05502	10.5
68.99789	2.1
69.03428	17.9
69.07062	5.0
69.54978	0.9
70.21607	3.7
70.44167	0.9
71.04989	7.5
73.02917	6.2
79.05489	5.8
80.17721	1.0
81.03416	23.7
81.07056	14.9
83.05010	1.5
83.08623	3.0
85.02902	50.2
87.00828	20.8
91.03970	1.6
91.05465	5.6
93.07044	13.7
95.04981	5.5
95.08604	58.5
97.02888	28.4
97.06552	1.2
97.10175	1.8
99.04453	15.0
105.01861	20.3
105.07029	9.2
107.04987	1.0
107.08591	25.8
107.09291	1.7
108.04504	2.3
109.02877	27.8
109.03577	1.8
109.06561	1.6
109.10149	26.5
111.04474	0.9
111.08083	1.3
115.03970	1.4
117.01853	3.3
117.06982	2.1
119.08580	22.7
121.06529	1.3
121.10143	23.2
123.08070	1.7
123.11699	9.5
125.05984	4.1
126.05483	1.6
127.03915	41.8
129.01865	3.7
129.06964	1.0
131.08585	4.4
133.10133	21.4
135.11694	24.7
136.47650	0.8
137.13266	2.0
139.07509	1.9
141.09119	0.8
143.08516	1.2
145.04959	20.2
145.10118	11.0
147.02907	2.2
147.08005	1.2
147.11693	12.4
149.13239	9.6
149.16675	0.9
153.09123	1.0
155.08595	1.3
156.09358	1.0
157.10144	2.9
159.02879	14.6
159.11684	11.4
161.09650	1.3
161.13271	13.3
163.03882	1.3
163.11215	1.9
163.14825	6.3
164.46323	0.9
169.10159	1.1
171.11771	4.5
171.67462	0.9
173.13254	11.2
175.11182	2.0
175.14798	6.2
177.12738	1.1
177.16405	1.6
179.10635	1.6
181.12312	2.9
183.11636	2.1
185.13277	3.4
187.14844	9.8
189.12791	2.6
189.16389	6.9
191.17940	2.9
193.12285	2.8
197.13318	2.5
199.14828	3.0
201.16405	6.8
203.14325	1.6
203.17943	28.3
207.13838	4.6
211.14865	2.5
213.04021	4.1
213.16455	1.1
215.14429	1.5
215.17973	2.3
219.13771	1.6
221.15335	2.0
225.16455	1.3
229.15915	1.2
229.19478	1.5
230.06593	1.7
231.05000	12.3
233.15395	6.0
241.19481	4.1
243.21172	3.6
247.16977	1.4
249.06107	2.2
255.21144	1.2
257.22629	37.7
259.24380	1.2
261.18521	0.9
266.08691	1.3
267.21072	7.8
283.07370	0.9
283.20514	2.0
285.22131	26.9
286.63696	0.9
301.21625	14.4
302.21588	0.8
303.23169	100.0
304.23599	3.1
347.09402	1.0
375.23309	1.2
393.24240	4.0
419.28357	1.0
440.76001	0.8
497.25381	1.6
515.26422	4.5
533.27454	16.1
649.31720	1.9
681.87927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01883	4.1
55.05513	13.3
56.05852	4.8
57.03437	1.9
57.06158	1.0
61.02938	2.4
65.03938	1.3
65.48730	0.9
67.05506	2.4
68.99783	1.4
69.03436	13.9
69.07081	2.4
70.00891	1.5
70.01307	3.2
70.06586	2.1
71.05002	3.7
73.02917	2.7
77.83120	0.7
78.04758	0.8
79.05508	6.9
81.02972	1.7
81.03423	20.8
81.07060	11.1
82.06577	2.7
82.07349	0.8
83.01363	0.9
83.04981	2.9
83.06915	0.9
83.08626	9.4
84.08130	1.1
84.08945	5.3
85.02909	31.0
87.00826	9.6
87.04491	1.0
91.03975	1.2
91.05479	4.1
93.07056	3.5
95.04976	3.6
95.08616	4.6
97.02896	18.6
97.06529	1.3
98.09679	1.6
98.21508	0.9
99.04453	6.1
99.10056	1.3
100.07616	3.5
100.11263	48.1
101.10979	1.8
101.11584	24.5
102.11910	5.4
103.05481	2.4
105.01873	7.3
105.07050	4.0
106.03027	0.8
107.04973	9.3
107.08617	3.6
108.04509	2.1
109.02883	11.8
109.06593	1.0
109.10171	2.9
110.06066	2.3
111.04467	4.6
111.06432	0.8
112.04794	3.0
112.07637	1.6
113.04957	1.2
115.05445	4.8
117.01857	1.0
117.07027	14.6
117.13892	0.8
119.04971	1.2
119.08606	3.7
121.10168	2.1
123.04462	3.5
123.08100	0.9
123.11784	1.1
124.05208	2.0
125.06039	1.6
126.05515	1.0
126.09200	1.4
127.03931	19.6
127.08664	1.8
127.11195	0.8
128.06296	0.9
128.07117	3.5
129.01866	1.4
129.07164	2.6
130.07738	1.6
131.04941	3.3
131.08607	2.9
132.05817	1.1
133.06479	1.6
133.10144	1.9
135.04451	1.1
135.11723	3.4
135.39902	0.8
137.05994	2.6
137.13223	1.3
139.08685	2.7
139.22768	0.9
140.07066	2.1
140.09035	1.4
141.07101	1.6
142.07649	0.9
143.04871	0.8
143.10719	0.9
144.05731	3.6
145.02858	2.8
145.04990	7.3
145.06516	32.5
145.10176	1.6
147.04416	3.0
147.08102	2.5
147.11732	1.5
149.06030	1.2
149.09708	0.9
155.06071	3.1
156.05707	5.4
157.06511	2.2
157.09972	0.9
159.02919	6.3
159.08055	6.5
161.06003	4.6
163.03925	1.9
163.07567	1.5
167.07057	50.7
173.05995	64.5
175.07616	2.5
177.05464	5.2
177.78796	0.9
179.07072	1.2
181.04997	2.1
182.15393	9.4
183.15747	16.0
183.17206	1.3
184.05275	2.5
184.16037	7.9
185.16429	1.9
187.07584	7.9
189.09152	1.2
190.06255	34.3
191.07047	2.1
191.08583	0.8
193.08691	2.1
202.06303	2.8
202.16667	0.9
203.07013	5.1
203.18054	2.1
205.08617	81.8
206.09047	0.8
207.06715	1.7
209.16515	8.8
210.14951	8.4
210.16902	10.6
211.15279	12.3
211.17201	6.0
212.15543	8.4
212.17551	2.4
213.15823	2.8
215.07068	1.7
217.08607	39.7
219.08128	2.5
219.10242	3.9
221.19122	2.7
223.09773	1.9
226.19170	2.1
227.19479	2.0
228.15910	0.9
230.06836	1.0
230.16501	1.1
231.05083	3.5
231.08005	1.3
233.36452	0.9
235.09660	26.8
247.07587	1.3
247.09773	7.0
248.08199	2.5
249.11301	1.1
256.07339	1.1
259.09747	1.0
262.10068	1.2
263.10669	1.5
263.16183	0.8
264.07907	1.5
265.10742	43.2
266.08875	1.1
269.08179	2.7
271.09802	2.5
277.08691	1.1
279.10248	2.0
291.10178	2.4
299.09280	0.9
305.13879	2.0
307.09793	1.9
308.10568	1.8
315.08664	6.9
323.15549	1.5
327.28485	2.0
328.28619	2.3
330.10989	12.3
331.11975	2.2
339.12476	2.5
343.11835	1.2
345.31403	1.6
350.22629	1.9
351.12451	3.1
351.24637	2.8
351.74576	1.7
352.13208	1.1
359.23456	3.9
359.73782	2.0
368.12799	1.2
369.13425	1.2
371.15015	2.7
383.14938	13.4
401.15942	20.7
401.20773	1.4
416.12924	1.1
437.33801	1.0
455.36316	1.0
645.55927	1.0
663.50830	1.2
665.51013	9.2
666.51495	1.5
670.10529	1.0
683.52332	100.0
684.52405	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	683.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21721	0.4
53.03940	0.5
55.01875	0.8
55.28660	0.4
57.03428	1.7
61.02937	1.9
68.99783	0.6
69.03430	5.0
70.06579	0.4
71.04999	5.4
71.11127	1.1
72.38197	0.4
73.02918	0.7
81.03413	1.9
83.04950	0.4
84.08114	0.4
85.02906	20.8
85.06555	0.4
85.07681	0.6
87.04452	0.4
91.03950	0.9
91.05488	0.9
94.71652	0.3
95.04971	2.2
97.02884	6.4
99.04434	1.3
103.03925	1.1
103.46060	0.3
105.07012	1.0
107.04926	0.6
109.02869	2.8
109.06519	0.9
111.04468	0.4
111.08101	0.4
113.06015	3.9
115.05383	0.4
117.05492	0.4
117.07021	0.4
119.04933	0.4
119.08604	0.4
121.02846	0.8
121.06558	0.4
123.04433	12.0
127.03925	5.7
129.07019	0.5
133.06511	1.4
137.06003	1.1
139.03902	2.7
141.34123	0.4
145.04977	7.0
145.06200	0.6
147.04416	5.6
147.08044	2.3
149.05954	0.7
151.03894	2.2
151.07536	6.1
155.03398	4.7
155.07025	1.1
161.05997	2.0
163.03897	1.0
163.06035	2.2
163.07515	0.7
163.16924	0.4
165.05498	0.6
169.05009	0.5
171.08051	0.4
173.05934	0.5
175.03941	0.5
175.07568	4.7
177.05489	1.5
179.07036	16.7
181.05000	0.6
189.05434	0.7
189.09129	0.6
191.07030	4.5
193.04944	1.9
197.08098	100.0
198.08377	0.7
200.21005	0.4
201.05396	0.8
203.07034	5.4
205.05127	0.4
209.08095	8.4
215.07005	1.2
217.04987	0.8
217.08618	1.3
221.08093	12.6
229.08659	0.6
233.08067	1.5
233.10091	0.4
235.06067	0.8
235.09747	2.0
239.09143	12.7
241.08646	0.7
243.06551	0.5
245.08096	1.7
251.09114	0.5
257.08130	2.4
259.09607	0.7
263.09149	13.9
269.08029	1.9
275.09155	8.2
287.09079	4.8
293.10330	2.3
299.09290	0.5
305.10211	5.9
317.10269	0.9
323.11234	4.9
325.11301	0.6
341.12399	13.7
347.11234	0.9
353.12595	0.5
359.13336	8.4
365.12384	0.6
383.13248	0.7
389.12372	0.4
407.13083	0.7
467.15811	0.5
593.24066	0.9
649.39496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03042	0.6
52.06055	0.7
53.03938	2.6
55.01853	1.1
55.05516	6.0
57.03433	1.1
57.07057	1.0
61.02920	1.0
66.56158	0.6
67.05510	9.3
69.03432	6.7
69.07072	6.3
71.04966	2.0
71.60827	1.0
73.02911	1.1
77.03896	0.8
79.05112	0.7
79.05498	7.2
81.03428	5.6
81.07060	11.4
83.04996	0.9
83.08613	3.4
85.02426	1.3
85.02911	16.3
87.00824	8.1
91.05484	7.6
93.07045	15.6
95.04953	1.9
95.08611	49.3
96.08879	0.6
97.02901	13.5
97.06528	0.8
97.10171	2.7
99.04446	5.1
105.01869	19.8
105.06388	1.0
105.07039	13.6
107.04958	2.1
107.08599	20.6
109.02882	11.5
109.06540	1.5
109.09459	1.4
109.10155	18.6
111.04469	3.8
111.11733	0.8
117.07011	2.8
119.08579	16.4
121.06539	0.8
121.10148	16.3
123.08060	1.9
123.11722	7.3
125.05989	5.6
127.03922	23.6
129.07004	1.5
131.08559	5.0
133.06523	1.2
133.10139	14.4
135.08078	0.9
135.11693	13.1
137.05975	1.5
137.09602	1.0
137.13269	1.3
139.07510	1.0
143.08519	4.2
143.58934	0.8
145.04968	8.4
145.10114	8.2
147.08055	1.1
147.11703	7.2
149.05917	0.8
149.13309	5.8
151.07556	0.9
151.11119	0.7
153.09006	0.9
155.08578	0.9
156.09363	1.0
157.10130	5.5
158.10907	0.7
159.02875	2.0
159.11685	8.7
161.09593	3.4
161.13269	6.7
163.07539	1.1
163.11215	0.7
163.14793	2.5
165.09138	1.6
169.10155	3.1
171.11691	5.2
173.09645	1.7
173.13254	4.7
175.14828	1.7
177.09212	0.9
179.10663	4.5
183.11617	0.9
185.09598	1.6
185.13208	4.3
187.11197	6.2
187.14847	2.5
189.09142	1.3
189.16379	1.0
191.10634	2.3
191.18011	1.0
193.12285	1.3
197.13216	1.1
198.15797	0.8
199.11203	2.2
199.14830	2.6
201.12755	2.3
201.16382	3.4
203.10681	2.1
203.17950	4.7
205.12253	4.9
205.13918	0.8
207.13791	1.2
209.13342	0.9
213.03987	7.6
213.12740	3.3
213.16319	1.3
215.14354	0.8
217.12144	1.8
219.13757	1.8
225.07585	2.4
227.14294	2.5
231.05017	16.0
231.13771	5.6
233.15462	0.9
239.17886	2.4
241.15807	1.2
241.19530	3.0
245.15396	4.3
249.06093	6.7
255.21121	4.0
259.17020	1.0
265.19449	1.4
283.20554	7.1
299.19897	1.1
301.21631	100.0
302.22015	3.3
329.08536	1.4
347.09735	5.4
365.10797	2.5
391.22711	1.3
409.23840	1.6
487.94748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01847	0.5
55.05512	5.1
57.07062	0.9
57.56931	0.5
65.03911	1.0
67.05506	4.1
69.03413	1.3
69.07067	3.0
69.69633	3.4
79.05482	3.4
81.03407	1.2
81.07059	6.8
83.04987	4.4
83.08609	1.3
83.99474	0.5
85.02895	2.2
87.00836	1.2
91.05466	5.7
93.07037	7.1
95.04948	1.2
95.08604	14.4
97.02916	2.4
97.10127	0.6
99.04441	1.0
101.06004	0.9
105.01863	1.2
105.07023	13.3
107.04917	0.6
107.08585	7.0
109.02863	2.3
109.06505	1.2
109.10164	5.2
111.04442	6.8
117.07017	2.5
119.08578	37.7
120.08925	0.9
121.06491	1.0
121.10143	4.5
123.08095	0.7
123.11702	1.3
125.05997	1.4
127.03931	3.1
128.06273	0.6
129.06985	1.6
131.08551	4.6
133.06444	0.7
133.10127	19.7
135.08075	1.1
135.11697	2.8
137.05983	1.1
139.07530	1.5
141.06956	0.7
142.07774	1.0
143.08566	2.7
145.04977	0.7
145.10110	9.3
145.11147	0.9
146.10831	0.7
147.04463	0.8
147.11684	9.0
149.13277	0.9
151.07498	0.6
155.08554	2.9
156.09325	1.0
157.10147	5.3
158.10785	0.6
159.08101	1.0
159.11693	10.0
160.12428	1.8
161.09639	0.9
161.13252	8.3
163.03909	2.6
164.04216	1.2
165.09135	0.9
167.08679	0.7
169.10110	4.1
170.10869	0.8
171.11707	5.5
173.09576	1.0
173.13255	5.3
175.11296	0.7
175.14876	1.3
177.09065	1.1
179.10713	1.7
181.10246	0.7
181.12234	2.0
182.05806	0.5
182.10878	0.8
183.11661	5.3
185.09647	1.3
185.13274	4.2
187.11182	1.7
187.14813	2.0
189.09122	0.8
189.16466	3.1
191.10690	1.7
193.12164	0.6
195.11687	1.5
197.09564	0.9
197.13254	4.5
199.11177	1.4
199.14845	3.5
201.09010	0.9
201.12738	0.7
201.16380	3.1
203.10733	1.4
205.12259	2.0
209.13147	0.7
211.11220	1.8
211.14810	2.3
213.12706	1.0
213.16489	1.0
215.10626	0.9
217.12209	1.6
219.13756	0.9
225.12785	1.2
225.16304	1.3
229.12228	3.4
231.04895	0.9
231.13843	0.7
237.16365	0.9
239.14337	2.6
239.17986	2.6
243.13904	2.7
253.15816	0.7
253.16724	0.6
253.19518	9.9
255.21057	2.5
257.15338	1.9
263.17929	1.6
271.20630	1.6
281.18982	9.5
299.20050	100.0
300.20389	3.8
301.21521	1.0
317.21112	1.2
340.22742	0.7
399.25064	1.2
604.93671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10482	0.5
53.03936	1.3
55.05516	4.5
57.07054	0.8
65.03938	0.5
67.05502	5.6
69.03426	1.1
69.07067	3.8
69.33939	1.1
69.34344	4.2
75.87012	0.5
79.05481	3.2
79.70760	0.5
81.03410	1.6
81.07054	8.7
83.04983	3.7
83.08602	1.4
83.52232	0.5
85.02901	2.2
87.00812	1.1
89.03925	0.6
91.05491	5.8
93.07048	6.3
95.04969	0.9
95.08605	15.1
97.02895	2.8
97.06506	0.7
97.10145	0.9
101.06027	1.0
105.01855	1.5
105.07034	14.0
105.57827	0.5
107.04970	0.8
107.08603	8.8
109.02866	3.1
109.06527	0.7
109.10159	5.7
111.03720	0.7
111.04449	8.7
117.07018	2.8
119.08582	45.8
120.08897	0.9
121.06526	0.9
121.10141	5.1
123.08036	1.6
123.11710	1.3
125.05973	1.6
127.03925	3.3
128.06181	0.7
129.07004	1.3
131.08594	4.3
131.09465	0.6
133.06459	0.8
133.10129	22.5
135.04417	0.5
135.08037	0.9
135.11685	1.9
137.05968	0.8
139.07576	1.0
141.06960	0.7
142.07762	1.3
143.08531	3.7
145.10115	9.6
147.08008	0.6
147.11691	11.1
149.13292	0.7
151.07509	1.0
155.08559	2.9
156.09293	1.8
157.10123	5.9
159.11697	10.8
160.12378	1.8
161.09586	1.7
161.13255	8.0
163.03889	4.4
163.07574	0.7
163.11179	0.6
164.04178	1.5
165.09178	0.6
168.09369	0.8
169.10141	4.7
170.10863	1.2
171.11688	6.1
173.09531	1.2
173.13242	4.8
175.14836	1.1
177.09073	0.8
179.10666	1.2
181.10063	0.9
181.12204	1.8
182.10880	1.0
183.08102	0.7
183.11720	5.6
185.09576	1.0
185.13252	4.4
187.11182	2.4
187.14832	3.1
188.15430	0.6
189.16403	3.9
191.10652	0.7
195.11644	2.0
196.12355	0.6
197.09514	0.7
197.13277	7.2
199.11247	2.4
199.13300	0.6
199.14841	4.1
201.09122	0.7
201.12738	1.3
201.16391	4.3
203.10669	0.9
205.12253	1.1
209.13147	0.8
211.11182	2.2
211.14824	3.1
213.03925	0.6
213.12737	1.6
213.16341	1.0
215.10724	1.5
217.12265	1.9
219.13887	0.7
221.13202	0.9
225.12769	2.5
225.16370	1.0
227.17958	0.9
229.12164	2.5
231.05061	0.8
231.13870	0.8
237.16528	0.5
239.14319	1.9
239.17914	3.0
243.13770	3.1
243.21059	1.0
253.15779	0.8
253.16740	0.8
253.19502	9.5
255.21092	2.1
257.15393	2.1
263.17999	1.8
271.20486	1.0
281.18976	9.8
299.20059	100.0
300.20380	3.4
301.21658	0.6
317.21118	1.5
340.22830	0.8
399.25311	1.7
630.74072	0.6
682.31683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35103	2.0
53.03954	2.2
55.05510	20.5
56.46741	1.9
60.01344	1.8
61.55954	2.1
67.05497	7.7
69.07075	6.1
70.62943	7.0
71.08601	2.2
79.05492	7.5
79.23394	2.1
81.03414	2.9
81.07060	10.9
83.04980	51.6
83.08604	3.0
85.02911	4.4
91.05482	14.5
93.07053	10.5
95.04927	3.5
95.08596	24.2
97.02884	4.4
98.20768	2.2
101.02451	2.0
105.07004	20.9
107.08638	10.8
107.09231	2.1
109.02867	4.2
109.10173	11.1
111.04456	11.3
112.53017	2.0
116.10767	2.5
116.43467	2.3
117.07058	3.7
117.45802	1.9
119.08577	66.0
121.10164	5.3
125.09605	5.3
127.03938	6.4
131.08565	5.9
133.10114	22.7
135.11703	2.7
137.05936	2.3
143.08568	5.5
145.10130	13.7
147.04436	3.9
147.11656	10.8
155.08621	2.2
157.10092	5.8
159.11671	10.4
161.13275	8.2
163.03940	7.1
165.47556	2.4
169.10149	5.6
171.11711	7.3
173.13271	8.6
177.05461	2.7
181.04903	3.5
181.12131	5.0
183.11685	6.6
185.13168	10.3
187.07433	2.6
187.14873	5.2
189.16397	6.1
191.10645	2.6
197.07968	2.8
197.13289	7.8
199.14844	5.2
201.16341	3.8
205.72928	2.0
207.10114	2.0
211.14709	3.4
214.17993	8.9
225.16220	2.5
229.12143	3.2
231.14038	2.3
238.17160	2.9
239.14214	2.7
239.17934	4.7
243.13863	4.1
253.19461	16.0
263.18033	2.7
271.94971	2.6
281.19046	12.3
286.20160	2.0
299.20050	100.0
300.20322	3.2
301.21619	2.5
331.28458	2.6
399.25186	3.2
418.49161	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01870	1.9
55.05486	0.4
55.82349	0.3
57.03434	1.6
58.06601	0.4
60.08169	1.9
61.02903	1.1
67.05494	0.7
68.99783	0.6
69.03080	0.5
69.03432	8.0
69.07056	0.3
69.62289	1.4
69.62716	1.0
71.04985	1.2
73.02914	1.2
79.05489	0.8
81.02986	0.4
81.03422	7.0
81.07053	0.6
83.04961	0.6
84.50309	0.3
85.02908	19.0
87.00833	5.8
90.02030	0.3
91.03941	0.4
91.05483	1.6
93.07061	0.9
95.04949	0.9
95.08614	0.7
97.02901	6.3
98.21526	0.3
99.04465	2.5
102.09180	1.2
103.05474	0.7
105.01863	3.9
105.07016	1.4
107.04948	1.0
107.08601	1.7
109.02885	6.6
109.06462	0.6
109.10168	2.5
111.04460	0.7
115.03938	0.6
115.05459	1.3
117.01877	0.7
117.07002	1.4
119.08588	1.7
120.97014	0.3
121.06511	1.0
121.10148	0.9
123.08083	0.5
125.09634	0.4
127.03922	10.4
128.06183	0.4
129.01837	0.7
130.04123	1.1
131.04929	1.8
131.08585	0.8
132.05756	0.6
133.06461	0.5
133.10132	0.9
135.08032	1.1
135.11658	0.4
136.05180	1.7
137.05977	2.8
141.06953	0.7
143.06058	0.5
143.08542	0.3
144.10213	0.7
145.04974	3.5
145.06468	1.3
145.10155	0.8
146.07272	1.0
147.08034	1.6
147.11697	0.6
149.09630	0.4
150.06760	0.5
151.07550	11.3
158.07210	0.3
159.02939	2.3
159.04221	0.5
159.08102	0.3
159.11711	0.4
160.05212	11.9
161.05898	0.7
161.09633	1.0
163.03903	0.5
163.07571	3.1
165.09143	1.9
167.06989	0.9
169.06522	1.3
173.06053	0.3
173.09547	0.4
173.13232	0.4
174.06764	0.4
175.07553	55.4
176.04688	0.4
176.08118	1.7
177.05511	0.7
177.09099	6.1
177.16203	0.4
179.10678	0.5
187.07474	0.6
187.14819	1.0
188.08347	0.4
189.03902	0.5
189.09172	2.3
189.16386	0.5
191.07031	1.0
191.10760	0.4
193.08635	0.6
201.09093	1.5
203.17937	0.5
207.10190	0.7
209.09706	0.4
215.10698	0.4
219.08168	0.5
219.10109	3.4
225.09190	0.6
225.11250	0.8
229.08565	0.4
231.05016	1.7
233.09752	0.5
235.11206	0.3
237.09161	0.9
239.10748	0.6
241.08650	0.6
246.10446	0.4
247.07596	0.5
247.11046	0.4
248.08270	0.9
248.11958	1.0
249.09099	1.3
250.09875	1.1
251.10652	1.1
253.12283	0.6
255.10089	0.7
261.09161	1.1
263.10645	0.9
264.11337	0.9
265.08560	1.4
265.12250	0.6
266.09344	0.6
267.10184	1.2
268.10928	0.5
275.10663	1.0
276.11380	0.8
277.08591	1.0
277.12048	0.4
278.09332	0.5
279.10226	2.3
279.13861	0.9
280.10846	1.7
281.08466	0.6
281.11722	2.8
282.12442	1.4
283.09671	2.4
283.12607	0.4
288.11227	0.4
291.10107	1.0
292.10944	1.1
293.11642	2.0
295.09653	0.9
295.13370	0.7
296.10455	0.6
296.13519	0.4
297.11221	0.5
298.12048	2.3
299.09113	0.6
305.11639	0.6
307.09875	0.5
307.13058	1.8
308.10666	0.5
308.13931	1.6
309.11215	1.7
310.11942	1.1
311.12830	5.9
311.16254	0.4
313.14355	2.5
318.12442	0.5
319.13199	0.4
321.11356	0.6
322.12042	0.5
323.12799	0.8
324.13455	1.3
325.14355	4.0
326.15131	8.9
327.12225	1.7
327.15677	0.7
331.13174	0.5
335.12860	0.7
337.14285	1.4
338.14700	0.5
339.15814	2.8
342.14658	4.5
349.14322	2.9
350.14740	0.5
351.15692	0.6
353.13971	0.5
355.15692	2.1
356.16263	0.6
357.16974	100.0
358.17267	5.1
363.15665	0.4
366.14420	0.6
367.15414	2.0
369.16956	3.4
379.15521	0.4
381.16998	2.9
399.18033	4.2
423.18024	1.7
447.18039	3.0
453.33548	0.6
457.33020	1.8
465.19293	3.1
471.34592	0.5
507.20145	0.4
512.86243	0.4
547.14905	0.4
551.18799	1.1
569.19946	1.9
587.20911	1.4
620.34033	0.4
638.35193	1.4
657.49054	0.3
682.34485	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	681.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64092	2.0
55.01864	3.5
55.05513	12.4
56.96559	3.1
57.03431	2.7
57.07073	5.1
65.03938	3.3
67.05502	18.8
69.03426	8.5
69.07072	12.3
69.51670	5.5
69.52068	19.3
73.41267	2.4
74.75062	2.3
76.82459	2.4
79.05495	19.9
81.07062	61.4
83.04984	13.8
83.08610	8.1
85.02893	8.7
85.06499	2.1
91.05473	28.7
93.07050	44.0
95.01339	13.7
95.04968	8.2
95.08611	83.9
95.09225	4.2
96.08865	2.4
97.02885	6.9
97.06535	9.0
99.08104	3.2
103.05474	5.7
105.07030	85.1
106.07343	2.4
107.08597	77.2
109.06532	5.9
109.10162	61.2
111.08067	9.5
111.11749	2.5
115.05405	2.7
117.07053	14.0
117.26174	2.5
119.04927	5.4
119.08587	91.9
121.06518	10.5
121.09299	5.0
121.10141	58.2
123.08077	7.7
123.11702	13.6
125.09633	12.7
127.03910	4.3
128.06122	3.1
129.07008	8.9
131.04948	4.3
131.08565	52.4
133.10132	60.8
135.08102	4.1
135.11690	37.5
137.05988	7.4
137.09604	3.5
137.13260	3.2
140.35165	2.2
141.01836	20.3
141.07039	2.3
142.07784	4.4
143.08569	25.2
144.09378	3.7
145.10126	100.0
146.10687	2.5
147.04407	10.8
147.08028	5.4
147.11690	43.1
149.09554	5.8
149.13249	17.6
151.11166	3.6
155.08540	5.0
156.09351	4.8
156.10626	2.3
157.10138	40.1
158.10953	4.4
159.11703	77.4
161.09619	5.4
161.13260	53.0
163.07565	6.5
163.11205	4.4
163.14827	20.2
167.07037	2.9
169.10129	10.0
170.10880	7.4
171.11679	30.8
173.13263	71.0
175.07559	4.7
175.11244	2.2
175.14835	54.0
175.16273	3.9
177.05499	4.8
177.12762	8.3
177.16365	18.7
178.05884	2.6
179.14355	12.6
181.10014	2.9
183.11694	11.7
184.12639	3.1
185.09683	2.4
185.13254	56.3
186.13799	2.8
187.13138	4.7
187.14822	93.4
189.12735	6.8
189.16393	35.9
191.14346	19.3
191.17926	11.0
193.15851	17.4
195.11653	5.7
197.13243	13.7
199.14815	65.2
201.12619	3.3
201.16383	79.4
203.14322	23.2
203.17975	13.0
205.15904	36.2
207.17546	3.1
209.13345	5.1
211.14835	12.4
213.16397	29.0
215.14316	5.0
215.17952	14.7
217.12312	4.3
217.15872	39.9
219.13799	8.7
219.17445	39.6
221.15341	13.6
221.18887	2.6
223.14925	2.7
223.16907	3.8
225.16386	5.7
227.17987	13.9
229.15834	7.9
229.19527	3.6
231.13870	2.9
231.17421	23.2
233.15375	14.7
233.18991	7.8
237.16376	3.6
239.18002	7.3
241.19576	5.9
243.17424	4.2
243.20930	2.5
245.15370	10.6
245.19067	5.9
247.16931	7.4
253.19606	5.0
255.21236	3.5
257.19174	3.0
261.14917	3.8
267.21048	5.5
277.17706	5.3
281.22610	3.0
283.20685	3.5
291.83008	2.6
297.22101	4.7
309.16949	8.6
313.21713	5.2
327.23318	3.0
343.22610	11.9
357.24329	7.6
365.14264	2.7
365.28262	4.7
375.30569	8.3
387.14639	2.8
387.30502	11.2
387.35019	2.3
393.27020	2.6
393.31583	34.9
395.33356	4.1
405.31540	73.3
407.33014	7.4
411.32684	7.4
421.30960	22.3
423.32599	51.6
433.25616	3.5
433.31094	23.6
439.32089	31.9
441.33725	10.7
451.32071	86.1
457.32785	6.3
469.33151	78.3
470.33115	3.6
487.34219	63.4
511.13498	2.8
681.25256	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	681.384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18685	1.5
53.03942	3.1
55.05506	11.5
57.03436	3.0
57.07067	5.9
67.03501	1.6
67.05502	21.7
69.03427	6.6
69.07066	18.0
69.36449	8.8
69.36873	6.0
71.04973	2.1
73.02900	1.7
74.77399	1.5
77.03957	2.2
79.05492	20.3
81.03415	9.0
81.07057	98.5
83.04980	12.1
83.08614	12.4
85.02883	8.5
91.05476	22.9
93.07042	48.8
93.07624	2.7
95.01328	13.2
95.04956	9.5
95.08609	100.0
96.08945	1.6
97.02884	4.8
97.06537	5.4
97.10178	4.4
98.20654	3.0
98.98434	1.8
99.00811	1.6
99.08092	2.8
105.07027	71.6
107.04945	2.1
107.08597	70.6
109.06496	6.0
109.10157	52.8
111.08080	8.9
115.05474	1.8
117.06988	10.3
119.08582	85.3
121.06510	2.4
121.10139	45.6
122.10529	1.5
123.08076	5.5
123.11696	17.1
125.09647	11.4
127.03897	2.1
128.06219	2.2
129.07033	4.8
130.07811	1.8
131.08565	53.3
133.06525	1.7
133.10133	60.4
135.08113	5.0
135.11696	32.5
137.05954	4.7
137.09639	5.5
137.13255	32.1
141.01810	20.1
141.07034	1.7
142.07799	5.6
143.08543	21.4
144.09351	3.3
145.02795	1.8
145.10120	88.7
146.10564	1.9
147.04405	2.7
147.08038	2.6
147.11696	43.6
149.05994	2.8
149.09602	8.0
149.13254	17.1
151.11172	6.6
151.14894	2.8
155.08554	5.3
156.09283	3.6
157.10133	33.4
158.10956	1.6
159.11697	73.8
160.12202	2.0
161.05998	2.3
161.09601	4.9
161.13254	49.9
163.03929	3.1
163.07556	3.4
163.11209	5.1
163.14822	24.8
165.12788	4.7
165.16344	1.8
167.08525	1.8
169.10123	8.5
170.10921	3.6
171.11693	24.5
173.05933	1.6
173.13266	70.7
175.11169	4.9
175.14827	52.0
177.05484	4.7
177.12907	7.0
177.16379	22.1
179.14331	10.4
181.04854	1.6
181.10088	2.4
183.11678	11.5
184.12474	3.0
185.13260	49.6
187.14821	76.3
189.12781	6.1
189.16388	35.0
191.14294	14.1
191.17926	9.6
193.12218	5.9
193.15887	16.8
195.11707	2.4
197.13271	12.5
198.13721	1.7
199.14822	55.6
201.16374	67.7
203.14287	15.3
203.17960	14.7
205.12222	2.1
205.15884	33.9
207.17497	4.5
209.13297	3.1
211.14815	12.9
213.16377	31.1
214.74846	1.6
215.14362	5.1
215.17958	9.7
217.15889	27.5
219.13853	6.4
219.17419	30.6
221.13338	3.1
221.15392	9.0
221.18993	1.8
223.14796	3.4
225.16451	6.3
227.17955	12.2
229.15854	8.5
229.19446	4.2
231.13867	3.5
231.17397	19.6
233.15349	9.8
233.19038	6.0
235.10979	4.4
235.16951	3.1
237.16508	3.3
239.17981	5.0
241.19490	5.1
243.17430	3.0
245.15295	7.9
245.19054	3.2
247.16997	5.1
253.19614	4.7
257.19070	2.9
259.16968	2.9
259.20578	2.9
261.14838	3.4
263.16205	2.5
265.19620	2.0
267.15912	6.3
267.21085	5.4
269.18988	1.9
271.20712	1.7
273.22220	2.1
277.18048	5.1
281.22562	2.2
283.20651	3.6
285.16998	6.3
295.24213	2.2
297.22189	4.5
299.23904	2.7
311.23795	3.2
313.21838	3.6
325.21600	2.3
325.25043	2.0
327.23196	2.5
337.24875	1.7
343.22693	8.5
357.24194	7.7
365.28305	3.7
371.26123	1.7
375.30521	6.9
377.32034	2.7
381.31665	2.4
387.30319	7.4
393.31580	32.9
395.33145	7.8
405.31512	55.0
406.31891	3.5
407.33069	10.7
411.28848	5.7
411.32922	4.7
421.31073	15.1
423.32590	43.4
425.34329	3.4
433.31091	17.2
439.32083	33.3
440.32248	2.0
441.33755	9.3
451.32077	74.8
452.32495	4.1
457.33017	7.0
467.78262	1.5
469.33157	79.0
470.33585	3.4
487.34174	58.9
488.34500	3.6
499.88147	1.5
503.75577	1.6
681.27002	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	681.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84866	0.3
67.05444	0.3
69.89108	0.3
69.91981	1.5
69.92420	0.5
81.07001	0.5
93.07024	0.4
105.06997	0.5
107.08527	0.4
119.08535	0.4
120.01807	0.5
121.02559	0.6
133.10020	0.4
137.05920	0.3
138.02872	1.7
138.47719	0.3
138.48663	0.4
145.66403	0.3
163.03847	0.6
167.03160	1.7
171.04010	0.3
186.06468	1.3
187.07199	0.5
215.06728	0.9
230.05489	0.5
295.08463	0.5
295.11545	3.2
331.11508	3.2
361.12527	0.6
369.19461	0.5
389.11649	0.7
417.15054	1.0
418.15903	0.8
445.18307	0.5
459.19888	89.7
460.20316	3.7
495.77533	0.3
517.24268	0.6
541.20270	0.4
555.21790	0.5
556.22601	0.6
646.57104	0.4
681.32428	100.0
682.32684	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	681.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
53.07324	0.5
55.01861	1.5
55.05506	2.6
57.03431	1.6
57.07080	0.6
59.05009	0.6
61.02925	1.2
67.05502	6.4
69.03426	5.7
69.07055	2.3
69.33222	5.1
69.33627	1.2
71.04991	5.0
71.86189	0.5
73.02900	1.3
73.40437	0.5
77.00041	0.6
78.59457	0.5
79.05501	3.4
81.03420	6.4
81.07057	7.3
83.04984	2.1
83.08599	2.5
85.02905	12.4
85.06542	2.0
87.00826	6.6
91.05473	4.9
93.07046	8.0
95.04966	2.3
95.08609	11.5
97.02895	9.8
97.06495	3.1
97.10167	1.2
99.04446	6.1
105.01876	7.7
105.07034	8.7
107.04957	1.3
107.08604	11.2
108.92307	0.6
109.02142	0.7
109.02873	10.1
109.06505	1.4
109.10155	10.1
111.04449	8.5
111.08069	2.7
111.80660	0.5
113.09640	0.7
117.06994	2.0
119.08582	16.9
121.06506	1.9
121.10156	7.3
123.08067	2.4
123.11720	2.7
125.09628	0.9
127.03919	15.3
127.07759	0.6
129.07014	1.2
131.08586	3.9
133.06483	1.2
133.10133	12.9
135.08066	2.9
135.11678	4.0
137.05919	1.0
137.09618	7.2
137.13254	1.2
139.07523	0.7
141.06993	1.0
142.07791	0.7
143.08569	3.0
145.04932	3.6
145.10110	5.8
147.08038	1.9
147.11696	7.9
149.09616	1.2
149.13245	2.0
151.07594	0.7
151.11160	3.7
153.09099	0.8
155.08525	1.8
157.10123	3.3
159.02899	2.1
159.08034	1.3
159.11690	8.1
161.09631	1.5
161.13222	4.8
163.11163	1.8
163.14848	4.5
165.09154	1.3
165.12706	0.8
167.07088	0.7
169.10098	2.6
170.10838	0.7
171.11734	4.2
173.09610	1.8
173.13263	3.7
175.11119	0.6
175.14845	1.2
177.05516	0.7
177.09122	0.8
179.10620	0.9
181.10170	0.6
181.12219	1.0
182.10963	0.7
183.11713	3.4
185.09651	0.8
185.13301	2.8
187.11194	3.3
187.14851	2.4
189.09174	0.8
189.12634	0.8
189.16441	2.6
191.10654	1.2
193.12254	0.7
195.11729	0.7
197.09592	0.6
197.13254	4.4
199.11201	1.5
199.14821	2.4
201.09018	0.7
201.12804	1.0
201.16415	3.0
203.10648	1.2
203.14142	0.7
203.17989	0.7
205.12238	2.6
205.15880	1.8
207.17444	0.7
211.11188	0.9
211.14809	2.3
213.03914	3.7
213.12776	1.6
213.16415	2.3
215.10722	0.9
215.14320	1.7
215.17973	1.6
217.12212	1.5
219.13811	0.7
225.07619	1.2
225.12779	1.7
227.14375	0.6
229.12238	2.3
229.19530	0.8
231.04961	4.3
231.13840	1.0
233.15311	0.9
237.16383	1.1
239.14302	2.2
239.17937	3.5
243.13792	3.0
243.21033	0.7
245.15497	0.7
249.06154	0.9
253.19458	3.1
255.17407	0.6
257.15512	1.1
257.19012	3.2
259.16977	2.4
263.17920	0.9
271.20590	3.1
273.18466	0.7
275.17429	0.7
275.19992	3.7
281.18948	4.2
289.21533	1.6
299.20059	31.9
300.20499	0.7
317.21115	100.0
318.21381	2.4
335.22101	2.0
482.39090	0.6
501.28464	0.5
681.31665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01856	4.1
55.05509	28.0
55.39924	3.7
57.03427	5.9
57.07099	4.1
62.05711	4.6
67.05505	76.5
69.07061	23.9
69.57507	8.5
69.57920	29.4
71.08633	57.4
72.79180	4.0
78.37067	4.8
79.05489	56.6
81.03410	5.3
81.07057	95.2
83.04980	12.4
83.08617	20.0
91.05479	36.7
93.07040	66.7
95.04972	16.0
95.08604	49.8
97.06522	11.9
99.08082	28.4
105.07040	30.1
107.04980	11.1
107.08594	45.9
109.06411	3.9
109.10156	17.3
111.08049	4.9
113.09653	4.4
117.07060	11.7
119.08609	27.5
121.10149	25.9
131.08559	10.5
133.10124	18.6
135.11682	34.1
137.09590	4.7
143.08533	6.0
145.10132	9.2
147.11697	8.6
149.13268	16.2
149.44897	4.0
151.11185	28.8
161.13263	18.3
163.11212	12.4
171.11717	8.0
173.13261	4.6
179.14330	78.2
184.07401	4.1
219.51492	4.5
238.87384	4.6
240.17294	4.2
269.17554	17.6
277.21640	71.6
278.22128	5.2
293.21387	5.1
295.22577	8.5
336.26254	4.8
351.25302	49.5
545.38397	100.0
546.39038	5.4
621.32422	6.2
627.46277	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	680.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15186	1.0
53.03935	2.0
55.01868	1.5
55.05507	11.0
55.86481	1.2
56.96560	1.7
57.03450	5.2
57.07062	2.7
61.02604	1.1
61.02924	21.7
64.24489	1.0
65.03939	1.3
67.05505	46.0
69.03414	4.0
69.07070	9.5
71.04982	2.3
71.60206	1.0
71.60603	1.2
73.02920	9.3
75.04473	1.8
79.05492	32.3
81.03412	1.9
81.07057	61.4
83.04965	2.5
83.06200	1.0
83.08611	4.8
85.02907	27.8
85.06533	4.3
87.04456	1.4
89.29474	1.1
91.03954	24.0
91.05485	17.5
92.21137	1.0
93.07040	41.6
93.07630	2.3
95.04961	4.0
95.08607	63.4
96.21577	0.9
97.02876	11.8
97.06538	2.9
97.10131	2.4
99.04462	2.5
99.08076	2.1
104.08412	1.1
105.06394	1.2
105.07032	16.2
107.03587	1.2
107.08591	36.1
109.06492	2.4
109.10158	38.2
109.51820	1.0
111.08067	1.9
113.09676	1.2
115.03899	1.7
117.07050	6.3
119.08572	15.0
121.06502	1.3
121.09312	2.1
121.10152	29.8
123.08106	2.6
123.11710	13.3
125.09641	2.7
127.03919	9.5
131.08569	17.1
133.10133	15.4
133.28763	1.1
135.11688	30.0
137.09604	2.4
137.13239	2.9
139.11200	2.5
145.04944	13.4
145.10129	19.4
147.11690	14.4
149.13252	23.7
151.11157	3.0
151.14833	1.2
159.11687	17.1
161.13263	6.1
163.06018	19.8
163.11162	1.9
163.14842	9.6
165.12691	2.7
173.13254	12.7
175.14850	1.8
177.12770	3.0
187.14830	5.3
191.14339	1.2
201.16383	2.3
219.21066	3.2
229.07475	2.4
229.19518	45.3
229.21822	2.1
247.20580	100.0
248.21005	1.7
249.22205	2.6
265.21680	4.7
281.02545	1.1
318.03561	1.1
321.24200	35.6
335.72162	1.3
339.25296	62.8
349.16931	2.7
367.17880	1.4
447.27417	1.5
483.29633	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	680.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34259	0.7
53.03945	5.5
55.01860	1.8
55.05517	4.2
57.03410	1.9
65.03950	1.2
67.05499	6.0
68.99761	0.9
69.03087	0.8
69.03426	11.0
69.07055	2.7
70.06582	1.9
71.04987	2.1
71.48608	1.4
79.05486	6.4
81.03415	21.5
81.07053	9.6
83.01337	1.8
83.04980	2.0
83.08598	2.9
85.02896	7.0
86.09727	1.5
89.03913	1.2
91.05482	10.9
92.05820	1.0
93.07039	11.9
95.04946	2.9
95.08600	9.9
97.02886	22.9
97.06541	1.5
99.04453	5.8
100.07633	1.0
100.11259	6.2
103.05465	1.9
105.01853	1.3
105.07030	16.9
107.04920	1.9
107.08590	18.4
109.02874	100.0
109.06500	6.9
109.10136	7.2
110.03165	1.6
111.04462	5.8
111.08067	6.7
113.06008	1.3
115.03973	1.3
115.05370	1.1
117.03362	1.5
117.06993	2.5
119.04945	2.1
119.08577	39.7
121.06491	3.5
121.10135	13.9
123.04426	1.4
123.08067	12.3
123.11719	4.6
124.08802	1.3
125.06003	1.1
125.09624	73.7
126.09135	1.3
126.09963	1.5
127.03909	74.1
128.06209	1.2
128.07092	1.7
131.04930	3.0
131.08542	2.6
133.06552	1.6
133.10117	33.6
135.04424	4.2
135.08031	2.5
135.11693	5.1
137.05951	6.7
137.09576	4.6
139.03882	3.3
140.07031	0.8
143.08562	6.1
145.02843	2.7
145.04956	8.7
145.06100	1.2
145.06462	1.2
145.10094	3.8
146.07243	1.4
147.04439	7.6
147.08047	18.4
147.11674	2.1
149.05995	1.8
149.09601	1.9
151.03946	1.3
151.07553	2.0
151.11180	3.4
153.01869	1.0
157.10094	2.3
159.11679	1.5
161.06001	1.3
161.09602	21.2
161.10933	1.4
161.13313	1.4
163.03888	23.3
163.07497	1.2
163.11200	3.5
164.04247	1.6
165.09097	21.5
167.07021	1.3
169.04938	1.0
169.10199	1.0
171.06554	1.8
171.08015	1.3
171.11740	1.1
173.09587	1.3
173.13260	1.4
175.03871	1.1
175.11166	1.8
177.05470	3.3
179.10655	17.4
182.15399	12.4
184.07329	1.8
185.13306	1.4
187.14725	1.0
189.09077	17.0
190.09460	1.2
191.06984	1.6
199.11095	1.1
207.10162	27.5
209.16472	1.5
210.14894	12.0
225.11192	41.2
226.11694	1.0
229.15816	1.2
237.07594	6.2
249.11226	1.7
253.15836	1.5
261.07611	7.5
267.12329	7.0
271.16895	1.9
279.08618	5.9
285.18469	1.6
289.17978	2.6
299.20111	2.3
313.18021	2.5
315.12219	2.5
326.28033	1.1
331.19028	14.5
333.13226	6.7
341.14261	1.0
349.20084	18.6
351.14307	9.3
353.32846	0.8
367.20996	1.5
391.21106	15.2
392.21494	1.0
421.21988	3.5
439.21054	2.5
457.15704	1.9
457.22180	39.4
458.22195	1.4
475.23291	33.8
476.23715	1.9
493.24219	4.0
524.18451	1.1
662.48096	2.1
680.22491	1.6
680.49432	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	680.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34259	0.7
53.03945	5.5
55.01860	1.8
55.05517	4.2
57.03410	1.9
65.03950	1.2
67.05499	6.0
68.99761	0.9
69.03087	0.8
69.03426	11.0
69.07055	2.7
70.06582	1.9
71.04987	2.1
71.48608	1.4
79.05486	6.4
81.03415	21.5
81.07053	9.6
83.01337	1.8
83.04980	2.0
83.08598	2.9
85.02896	7.0
86.09727	1.5
89.03913	1.2
91.05482	10.9
92.05820	1.0
93.07039	11.9
95.04946	2.9
95.08600	9.9
97.02886	22.9
97.06541	1.5
99.04453	5.8
100.07633	1.0
100.11259	6.2
103.05465	1.9
105.01853	1.3
105.07030	16.9
107.04920	1.9
107.08590	18.4
109.02874	100.0
109.06500	6.9
109.10136	7.2
110.03165	1.6
111.04462	5.8
111.08067	6.7
113.06008	1.3
115.03973	1.3
115.05370	1.1
117.03362	1.5
117.06993	2.5
119.04945	2.1
119.08577	39.7
121.06491	3.5
121.10135	13.9
123.04426	1.4
123.08067	12.3
123.11719	4.6
124.08802	1.3
125.06003	1.1
125.09624	73.7
126.09135	1.3
126.09963	1.5
127.03909	74.1
128.06209	1.2
128.07092	1.7
131.04930	3.0
131.08542	2.6
133.06552	1.6
133.10117	33.6
135.04424	4.2
135.08031	2.5
135.11693	5.1
137.05951	6.7
137.09576	4.6
139.03882	3.3
140.07031	0.8
143.08562	6.1
145.02843	2.7
145.04956	8.7
145.06100	1.2
145.06462	1.2
145.10094	3.8
146.07243	1.4
147.04439	7.6
147.08047	18.4
147.11674	2.1
149.05995	1.8
149.09601	1.9
151.03946	1.3
151.07553	2.0
151.11180	3.4
153.01869	1.0
157.10094	2.3
159.11679	1.5
161.06001	1.3
161.09602	21.2
161.10933	1.4
161.13313	1.4
163.03888	23.3
163.07497	1.2
163.11200	3.5
164.04247	1.6
165.09097	21.5
167.07021	1.3
169.04938	1.0
169.10199	1.0
171.06554	1.8
171.08015	1.3
171.11740	1.1
173.09587	1.3
173.13260	1.4
175.03871	1.1
175.11166	1.8
177.05470	3.3
179.10655	17.4
182.15399	12.4
184.07329	1.8
185.13306	1.4
187.14725	1.0
189.09077	17.0
190.09460	1.2
191.06984	1.6
199.11095	1.1
207.10162	27.5
209.16472	1.5
210.14894	12.0
225.11192	41.2
226.11694	1.0
229.15816	1.2
237.07594	6.2
249.11226	1.7
253.15836	1.5
261.07611	7.5
267.12329	7.0
271.16895	1.9
279.08618	5.9
285.18469	1.6
289.17978	2.6
299.20111	2.3
313.18021	2.5
315.12219	2.5
326.28033	1.1
331.19028	14.5
333.13226	6.7
341.14261	1.0
349.20084	18.6
351.14307	9.3
353.32846	0.8
367.20996	1.5
391.21106	15.2
392.21494	1.0
421.21988	3.5
439.21054	2.5
457.15704	1.9
457.22180	39.4
458.22195	1.4
475.23291	33.8
476.23715	1.9
493.24219	4.0
524.18451	1.1
662.48096	2.1
680.22491	1.6
680.49432	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	679.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	0.6
56.96046	0.4
59.69800	0.4
67.05434	0.8
67.63222	0.4
69.64684	3.3
72.01341	0.4
76.68877	0.4
78.63770	0.4
79.05413	0.7
81.03327	0.5
81.06968	0.8
85.02798	0.5
91.05367	1.4
91.05899	0.6
93.06935	0.9
95.08521	0.7
97.02808	0.5
98.21459	0.7
105.06963	0.9
107.08564	0.4
109.02808	0.8
109.06413	0.4
111.04382	0.5
113.23348	0.4
117.06900	0.4
119.08454	1.0
120.01766	1.0
121.02576	0.8
123.07878	0.5
125.09526	0.5
127.03811	0.9
131.08487	0.6
133.10054	1.0
135.07944	0.4
135.11607	0.4
138.02754	1.4
138.30177	0.7
146.06926	0.6
147.04413	0.5
161.09514	0.6
164.01413	0.4
167.03194	2.3
186.06378	1.9
187.07175	1.3
225.11139	0.4
230.05482	0.7
233.15308	0.5
259.05893	0.5
295.11523	3.0
331.11526	3.0
389.11923	0.6
399.42322	0.5
417.00446	0.5
417.15198	1.7
422.11813	0.5
445.18436	0.7
455.20441	0.5
459.19913	94.4
460.20392	3.3
500.18430	0.7
501.18613	1.8
541.20642	0.6
556.22754	0.8
679.30914	100.0
680.31506	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	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35261	1.0
53.03936	2.2
55.05513	14.0
57.03432	7.3
57.07069	3.6
61.02639	1.5
61.02923	17.5
64.24429	1.1
65.03946	3.0
67.05503	72.2
69.03419	3.9
69.07058	13.5
71.04995	2.6
71.08623	1.1
71.57446	1.1
71.57796	1.3
73.02930	8.2
75.04506	1.2
79.05492	37.3
79.10117	0.9
81.03429	4.8
81.07054	82.9
83.04987	2.2
83.08624	9.2
85.02900	18.4
85.06548	3.5
86.09687	1.3
91.03951	18.1
91.05479	19.1
93.07043	51.1
95.04971	4.5
95.08602	62.8
97.02889	10.3
97.06513	3.3
97.10143	2.7
99.04453	1.9
99.08105	3.4
105.07028	18.6
107.08591	37.8
109.06515	2.9
109.10154	37.2
111.08123	1.8
115.03925	1.5
117.07007	9.3
118.58998	1.2
119.08582	17.3
121.10136	35.9
123.08054	2.0
123.11698	20.4
124.99997	1.3
125.09625	2.5
127.03922	7.1
129.07027	1.3
131.08560	16.3
133.10117	14.3
135.08148	1.1
135.11697	27.8
137.09610	3.1
137.13263	7.4
139.11198	2.5
145.04948	8.1
145.10133	14.8
147.11674	13.3
149.13257	21.9
151.11201	3.0
151.14853	2.6
153.12762	2.7
159.11678	14.8
161.13219	8.9
163.03938	8.0
163.06018	14.2
163.11241	2.2
163.14810	14.9
165.12753	2.6
165.16528	1.5
169.40437	1.0
173.13245	12.9
175.14813	4.3
177.12813	1.8
177.16371	5.7
179.14337	2.5
187.00014	1.0
187.14824	9.0
189.16461	1.2
191.14481	1.8
195.13902	1.2
201.16380	2.9
203.17897	1.2
205.15816	2.0
215.18002	1.9
233.22694	4.1
243.21075	36.8
261.22134	100.0
262.22354	1.7
263.23758	2.2
279.23120	5.1
317.24713	2.5
335.25775	34.9
353.26837	44.1
354.27170	1.4
358.16391	1.4
424.57156	1.2
434.45062	1.1
479.30087	1.4
497.31036	9.7
650.13245	1.3
677.32202	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.05510	10.9
57.03436	5.7
57.07073	4.5
61.02926	20.6
65.03934	2.2
67.05504	59.9
69.03424	4.0
69.07068	10.6
71.04989	2.3
71.08630	1.7
71.59991	1.6
73.02914	8.7
75.04482	1.2
79.05492	39.7
81.03420	3.2
81.07057	68.5
83.04984	1.0
83.08625	7.2
85.02906	28.8
85.06535	2.6
91.03957	26.4
91.05475	21.5
93.07040	52.2
95.04959	3.9
95.08607	54.4
96.08934	1.2
97.02892	12.9
97.06525	3.9
97.10168	2.9
99.04436	2.2
99.08092	2.8
105.07018	16.4
107.08591	38.4
109.02900	1.9
109.06555	1.3
109.10159	34.3
111.08092	2.1
111.11729	1.2
113.09678	1.6
115.03927	1.1
115.05435	1.2
117.07021	9.4
119.08579	17.3
121.10146	34.4
123.08017	1.3
123.11706	18.2
125.09623	1.4
127.03921	12.4
129.06964	0.9
131.08568	19.4
133.10132	14.7
135.11690	26.2
137.09593	1.8
137.13249	6.1
139.11185	1.5
143.08604	0.9
145.04970	14.6
145.10115	14.8
147.11681	12.4
147.15717	0.8
149.09666	1.1
149.13260	22.9
151.11192	2.6
151.14796	1.6
159.11688	14.3
159.48360	0.9
161.13255	12.2
163.06018	23.0
163.11198	1.9
163.14824	16.4
165.12752	2.7
173.13269	14.5
175.14825	4.3
177.12790	1.9
177.16411	5.6
179.14314	2.9
187.14812	11.5
191.14394	2.0
195.17493	1.1
201.16365	2.9
205.15892	2.0
215.17984	1.7
219.17448	1.5
233.22624	3.9
243.21091	38.8
244.21632	1.0
261.22153	100.0
262.22467	3.9
263.23666	1.7
279.23230	2.9
333.45776	1.1
335.25757	19.8
338.71661	1.0
353.26843	39.8
354.27313	1.1
497.30942	3.0
536.90863	1.0
541.20300	1.1
617.22241	3.0
618.22455	1.2
645.21997	4.4
646.21063	1.1
677.36755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32942	0.3
55.05513	0.3
56.21128	0.2
68.16636	0.2
70.06613	0.4
71.60395	0.4
74.29542	0.3
81.07063	0.7
83.80563	0.3
88.07668	0.3
89.49465	0.2
91.05492	0.3
93.07040	0.4
95.08618	0.4
105.07043	0.3
147.04446	0.4
185.04208	0.5
193.05080	0.3
203.05225	1.4
244.14185	0.3
256.26425	0.7
259.07858	1.4
275.98740	0.2
305.08145	0.3
318.34778	0.2
329.33051	0.3
347.09601	1.2
365.10529	2.9
385.12250	0.5
386.12781	1.0
387.12976	2.0
388.13748	0.7
399.14117	0.6
400.14984	2.2
401.14948	5.5
402.15341	10.1
403.15961	0.9
405.91409	0.3
413.15350	0.5
414.15793	2.3
415.16232	3.7
416.16855	3.0
417.17480	0.9
421.13080	1.5
427.16705	0.5
428.18103	0.8
429.18427	2.9
430.18906	3.5
431.19287	8.1
432.19415	0.7
443.15448	0.5
444.16275	1.6
445.13184	1.4
446.14484	1.9
456.17386	0.8
457.17294	3.4
458.18021	1.1
459.14651	0.6
459.19467	0.4
460.16199	1.2
461.16559	1.1
469.18307	0.3
471.18695	0.3
472.21951	0.3
473.18195	0.5
474.17728	1.6
475.18390	4.2
476.18469	0.6
483.15860	0.5
484.16711	0.6
485.16431	2.3
486.16495	0.4
489.16229	1.1
499.17462	0.3
501.16467	0.6
502.18579	0.5
503.17886	2.5
504.18143	0.8
513.19794	0.5
515.31909	24.0
517.23950	0.5
518.23871	2.2
525.16040	0.3
529.15210	1.4
541.19452	2.5
542.19147	0.9
544.22186	0.4
545.22510	2.6
546.23297	7.5
547.23297	1.0
557.18878	0.6
562.22845	2.6
571.21808	0.4
572.22040	1.1
573.21979	10.8
574.22327	2.3
575.20624	0.4
577.25208	1.0
588.22107	0.9
589.22284	2.9
590.22253	21.9
591.22473	2.3
603.23236	0.5
605.24884	1.6
617.21008	1.7
618.21283	0.8
621.24316	1.2
631.22595	3.9
633.23883	2.4
634.24426	0.4
649.23303	2.0
659.21991	4.2
660.21790	0.5
677.24341	5.1
677.37103	100.0
678.25513	0.5
678.37457	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
60.29258	0.1
63.02359	0.1
65.03931	1.1
67.05508	0.7
69.03417	0.5
77.31358	0.1
83.04982	2.2
83.05458	0.2
85.02899	0.7
87.04513	0.1
89.81562	0.1
91.05481	8.3
92.05840	0.1
93.03413	1.1
95.04969	0.9
98.20761	0.2
99.00818	0.6
107.04988	0.2
111.04443	3.6
117.01869	0.2
119.04944	22.1
120.05272	0.3
121.02858	0.6
129.05482	1.7
135.93951	0.1
139.03902	2.4
139.08513	0.1
147.04410	100.0
148.04752	1.2
157.04970	2.5
165.05479	0.5
175.06018	2.3
175.07474	0.2
176.85942	0.1
177.05478	0.1
188.45097	0.1
195.07950	0.1
209.06134	0.1
213.09171	0.4
219.07986	0.1
223.07521	0.1
227.05432	0.1
229.24129	0.1
237.09077	0.3
241.08495	0.1
265.08609	0.1
273.05997	1.3
283.09698	0.1
293.08051	0.1
303.08640	1.6
311.09171	0.2
321.09695	1.9
329.10239	0.1
339.10681	0.1
346.49384	0.1
348.50363	0.1
429.10358	0.1
447.11423	1.0
467.13406	3.3
468.13943	0.1
485.14395	0.1
526.51532	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	677.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28680	0.1
52.15880	0.1
55.01867	0.1
55.05510	0.7
57.03428	0.2
60.37886	0.1
63.02367	0.2
65.03941	2.3
67.05508	2.7
68.57397	0.1
68.99785	0.3
69.03427	2.2
71.01367	0.1
71.33951	0.2
83.04984	8.0
85.02904	2.6
87.00837	0.2
87.04452	0.2
91.05485	8.5
93.03407	3.9
93.07061	0.2
93.66673	0.2
95.04978	2.8
97.02872	0.2
99.00825	2.5
107.04962	0.6
111.04446	13.5
112.20905	0.2
115.03951	0.3
117.01862	0.6
119.04948	22.6
120.05274	0.3
121.02869	2.1
129.05482	6.7
133.15334	0.1
135.11731	0.1
139.03908	8.3
140.04300	0.2
145.06491	0.3
147.04414	100.0
148.04762	1.4
149.05919	0.1
157.04973	8.8
161.05956	0.1
165.05496	0.6
175.06029	7.5
177.05524	0.2
183.50435	0.1
189.05412	0.1
191.08539	0.2
197.09619	0.2
209.09610	0.3
212.08241	0.2
213.09108	1.1
223.07556	0.4
227.05476	0.4
237.09125	0.9
239.10620	0.2
245.06549	0.2
247.07469	0.2
265.08472	0.4
269.08051	0.2
273.06046	5.4
281.48917	0.1
283.09598	0.3
293.08008	0.6
303.08630	1.2
311.09131	0.6
321.09698	4.4
383.10812	0.1
429.10205	0.2
436.15378	0.1
447.11368	4.2
457.14807	0.2
467.13379	3.1
467.23907	0.1
485.14120	0.5
553.64417	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	677.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.1
51.02383	0.1
53.00295	0.1
55.05510	0.2
60.22111	0.0
65.03939	1.1
67.05515	0.4
69.03437	0.4
71.37511	0.1
81.07065	0.1
83.04988	1.3
85.02907	0.4
86.79694	0.1
87.04489	0.1
91.05486	8.3
92.05817	0.1
93.03410	0.6
95.04977	0.8
97.02891	0.1
98.97590	0.1
99.00825	0.3
111.04449	2.2
117.01830	0.1
119.04948	23.2
120.05222	0.3
121.02864	0.3
129.05496	1.0
139.03911	1.1
145.02831	0.1
147.04416	100.0
148.04752	1.1
152.02840	0.1
157.04993	0.9
165.05475	0.5
175.06058	0.6
177.05524	0.1
191.14310	0.1
195.08009	0.1
209.09555	0.1
213.09122	0.1
219.08109	0.1
223.07396	0.1
225.09071	0.1
227.05507	0.1
237.09122	0.2
265.08679	0.1
273.06046	0.6
283.09521	0.1
293.07916	0.1
303.08624	1.2
311.09070	0.1
321.05939	0.1
321.09708	1.9
339.10684	0.1
429.10226	0.1
430.89944	0.1
447.11447	1.2
467.13422	2.6
468.13452	0.1
485.14282	0.1
622.99854	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	677.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
55.05512	0.2
65.03932	1.1
67.05512	0.4
69.03429	0.4
71.05284	0.1
83.04980	1.0
85.02895	0.5
91.05482	8.0
92.05815	0.1
93.03410	0.3
95.04997	0.5
98.05482	0.1
99.00809	0.3
107.04976	0.1
111.04449	1.6
118.04056	0.1
119.04945	22.4
120.05276	0.2
121.02852	0.2
123.29618	0.1
129.05489	0.9
139.03894	1.0
147.04411	100.0
148.04747	1.3
157.05002	0.8
165.05499	0.4
175.06044	0.5
193.07076	0.4
195.16579	0.1
201.31877	0.1
213.09077	0.1
223.07503	0.1
237.09090	0.2
265.08673	0.1
273.06116	0.4
302.28522	0.1
303.08713	1.0
321.09717	1.5
339.10883	0.2
447.11218	0.4
467.13440	3.7
468.14066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01861	3.2
55.05507	5.9
56.96560	1.2
57.03415	1.1
57.07061	1.0
59.04978	2.0
65.03928	2.3
67.01836	0.8
67.05506	16.6
69.03432	14.7
69.07056	6.5
69.57767	3.3
69.58195	3.1
70.84172	0.8
71.01336	0.8
71.04971	3.5
73.02890	0.8
79.05492	12.7
81.03415	22.9
81.07055	17.4
83.04979	10.2
83.08598	2.2
83.13170	1.0
85.02908	4.9
85.06517	1.5
87.04460	0.9
91.05473	18.9
93.07042	29.2
95.04977	7.4
95.08604	26.3
95.09071	0.6
97.02275	1.8
97.02885	30.2
97.06523	8.8
99.04440	6.3
99.08087	1.4
103.05446	1.1
105.07030	39.5
107.04953	7.7
107.08592	33.2
109.02878	44.9
109.06512	11.9
109.10153	36.6
111.04440	41.3
111.08099	6.5
113.05968	1.8
115.03944	1.6
115.05462	2.1
117.07004	7.4
119.04945	2.5
119.08578	73.2
120.08968	0.8
121.06506	7.9
121.10139	20.6
123.04409	3.8
123.08058	12.2
123.11700	8.1
125.05943	2.3
125.09620	1.1
127.03915	69.9
128.06212	2.8
129.06999	4.8
130.07808	2.0
131.08566	9.7
133.06490	29.4
133.07460	1.2
133.10127	55.1
135.08049	18.5
135.11682	10.0
137.05977	6.2
137.09598	9.9
137.13203	1.1
139.07521	2.2
141.06961	1.5
142.07776	3.7
143.08557	14.1
145.04990	4.8
145.06456	3.5
145.10112	13.5
147.08041	30.4
147.11659	6.5
149.05983	2.1
149.09610	8.9
151.07544	2.0
151.11201	6.6
153.09099	1.3
155.08557	2.4
156.09344	3.6
157.06506	2.1
157.10141	11.3
158.07338	1.0
159.08058	3.1
159.11691	10.0
161.06035	1.8
161.09618	33.2
161.13219	2.4
163.07474	3.0
163.11168	12.9
165.06985	2.0
165.09111	39.1
166.07793	2.3
167.08542	1.8
169.10104	5.1
171.08090	4.1
171.11693	11.1
173.09634	4.4
173.13280	4.7
175.07495	1.5
175.11189	5.3
175.14821	1.9
177.09163	1.1
179.07150	1.2
179.10664	28.3
181.10130	8.3
183.11671	3.3
184.08913	1.5
185.09605	15.4
185.13206	5.4
187.11169	6.4
187.14803	2.1
189.07378	1.6
189.09091	27.6
189.12717	2.5
191.10690	4.8
193.08594	1.4
193.12206	1.1
194.11250	0.8
195.11699	4.5
197.09573	2.7
197.13260	3.8
199.11160	23.9
199.14809	4.6
201.08995	1.1
201.12714	3.6
203.10663	5.2
203.14307	2.0
205.12291	2.1
205.15797	1.9
207.10152	35.9
207.11710	1.3
209.09866	1.1
209.11649	2.0
209.13354	2.1
211.11110	2.3
211.14810	3.2
213.09178	1.8
213.12671	3.9
215.10716	2.7
215.14316	1.2
217.12222	15.8
219.10106	1.0
219.13719	4.5
221.09720	1.0
221.11661	1.3
222.13918	1.6
223.14832	1.4
225.11205	100.0
225.16208	2.9
227.10713	2.1
227.12666	1.2
227.17975	2.8
229.12209	1.6
231.13779	2.0
233.11455	0.8
235.13194	2.7
236.15771	1.1
237.12796	2.0
237.16354	3.2
241.12230	2.1
245.15353	1.2
251.17961	4.8
253.15878	1.5
255.13744	1.2
255.17392	3.3
257.15341	1.2
259.13315	2.8
267.12088	4.2
267.17438	1.9
269.19000	4.7
271.16888	0.8
273.18469	1.8
277.16016	1.1
279.17416	3.3
287.16479	2.4
287.20087	4.1
293.97263	0.9
295.16937	3.5
297.13239	1.6
297.18466	16.0
301.17807	1.1
309.18347	1.3
311.19989	1.4
313.17944	7.1
315.19547	41.9
331.19055	13.6
333.13531	6.2
333.20654	12.6
343.19058	1.8
351.14325	5.9
351.18469	1.1
357.20566	5.5
367.19101	1.6
369.20673	7.6
375.21805	7.1
377.21558	1.0
393.20413	2.3
395.22256	1.3
399.21426	0.9
405.20374	6.2
411.21725	2.7
413.23499	2.1
423.21698	16.1
441.22751	40.5
442.22720	1.3
459.23758	42.2
477.24750	2.9
676.25635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17311	0.8
53.03939	4.3
55.01866	1.9
55.05511	3.5
57.03436	1.3
67.05503	10.7
69.03426	11.5
69.07059	3.9
70.11971	4.1
70.40616	0.8
71.04990	2.3
79.05496	6.5
79.53471	0.9
81.03421	18.1
81.07057	9.4
83.01349	1.0
83.04987	4.5
83.08617	1.5
85.02901	2.8
91.05479	12.5
93.07043	17.2
95.04967	4.2
95.08614	17.1
97.02892	20.4
97.06546	5.6
97.43382	0.8
99.04487	4.2
105.07024	25.9
107.04951	4.0
107.07860	1.4
107.08595	26.1
109.02879	55.8
109.06524	8.2
109.10154	31.7
111.04448	19.9
111.08080	4.8
113.05976	1.4
117.07020	3.7
119.04938	1.1
119.08575	50.8
121.06502	5.4
121.10155	12.9
123.04424	3.2
123.08084	10.4
123.11713	5.5
125.05977	1.5
127.03912	52.5
128.06168	1.0
129.07004	2.5
131.08582	6.1
133.06480	16.4
133.10126	39.2
135.08046	11.8
135.11711	7.1
137.05980	2.8
137.09619	7.2
137.13274	1.0
143.08565	9.7
145.04948	3.1
145.06465	1.5
145.10112	8.5
146.07285	0.9
147.04449	1.2
147.08032	23.6
147.11652	3.1
149.05983	1.2
149.09590	5.2
151.07510	1.0
151.11197	4.3
155.08521	1.9
156.09283	1.3
157.06454	1.3
157.10133	5.8
159.08052	2.4
159.11699	6.7
161.09619	28.4
161.13229	1.1
163.03934	2.7
163.07539	1.4
163.11166	9.6
165.09106	33.8
166.07822	1.7
167.08592	1.0
169.10112	2.6
171.07994	1.8
171.11688	6.5
173.09613	3.7
173.13258	2.8
175.11200	2.4
176.11920	0.9
179.09058	0.9
179.10649	22.0
181.10143	4.9
183.11769	1.5
184.12509	1.1
185.09627	8.0
185.13225	2.3
187.11180	4.8
187.14938	1.2
189.09091	19.0
189.12802	2.0
191.10663	2.5
193.12221	1.0
195.11777	1.7
197.09717	1.5
197.13304	1.3
199.11180	15.2
199.14856	2.6
201.12747	2.1
203.10725	3.3
203.14023	0.8
207.10155	31.4
207.12056	1.9
209.11597	1.2
211.11272	1.1
211.14780	1.1
213.12761	2.1
215.10698	1.0
215.28268	0.8
217.12201	9.8
219.13834	2.6
223.11331	0.9
225.11208	100.0
227.10765	1.2
227.18042	1.5
231.13887	1.3
235.13338	2.6
237.12846	1.2
237.16319	1.6
245.11655	1.2
251.18019	2.0
253.15816	1.1
255.17354	2.0
259.13324	1.6
267.12164	4.8
269.19040	3.3
269.43256	1.0
273.11530	0.8
273.18478	3.0
279.17438	2.7
287.16919	1.5
287.20078	4.1
290.72534	1.2
295.16956	1.9
297.13507	1.5
297.18530	12.5
313.18164	4.4
315.19547	30.6
331.19000	5.9
333.13321	7.8
333.20630	9.3
347.14957	1.0
351.14471	5.4
357.20676	6.3
369.20624	4.2
375.21780	4.4
393.20752	1.4
395.22488	0.9
405.20728	2.8
411.21484	1.2
423.21732	9.2
441.22696	25.6
459.23740	20.8
460.24646	0.9
477.24506	1.9
488.04300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01864	1.7
55.05521	2.0
57.03436	1.3
57.30805	0.9
61.02935	0.9
67.05516	4.2
69.03437	8.5
69.07074	2.7
69.48212	7.2
71.04992	2.8
79.05501	6.5
81.03420	17.3
81.07062	8.0
81.97768	0.8
82.95925	0.9
83.01368	1.1
83.04990	1.9
83.08606	1.8
85.02905	5.7
91.05486	7.3
93.07046	12.8
93.68253	0.9
95.04979	4.2
95.08611	8.3
97.02898	20.4
97.06546	1.0
98.98464	1.5
99.04472	4.3
99.05021	0.9
103.05511	1.3
103.65690	1.0
105.07030	14.8
106.07421	0.9
107.04955	2.7
107.08591	14.6
109.02883	100.0
109.06499	6.7
109.10159	7.7
110.03202	1.1
111.04451	2.3
111.08076	5.8
115.03944	1.3
117.03387	1.1
117.07036	1.9
119.08588	35.9
120.08906	1.6
121.06503	3.0
121.10154	10.8
123.04420	1.3
123.08074	8.0
123.11715	1.8
124.08868	1.1
125.06004	2.5
125.09632	71.4
126.09975	2.5
127.03921	65.2
128.04283	0.9
128.06250	1.2
131.08591	2.3
133.06566	1.9
133.10133	26.2
135.04437	1.9
135.08080	1.5
135.11700	5.6
137.06032	2.1
137.09605	3.7
143.08549	5.3
145.02832	3.1
145.04971	9.6
145.10138	2.8
147.04451	2.4
147.08060	15.7
147.11758	1.0
149.06001	2.0
149.13100	1.1
151.07545	2.6
151.11195	3.7
155.56491	0.9
159.08197	1.0
159.11765	1.0
161.09633	19.9
163.03911	11.6
163.11220	2.9
164.04271	4.0
164.08273	1.0
164.99643	0.8
165.04445	1.4
165.09123	20.0
167.07047	1.0
171.08105	1.4
173.13333	1.3
175.11169	1.8
177.05490	4.0
178.05904	1.8
179.10677	16.5
183.11763	1.2
184.07404	2.1
189.09111	14.3
197.13205	1.2
201.12709	1.1
203.10687	1.0
207.10179	19.8
225.11220	41.9
227.75145	0.8
229.16058	1.1
249.11226	2.5
259.21796	1.0
267.12247	3.9
271.17029	1.9
271.20615	1.2
273.11224	1.6
285.18576	1.1
289.18069	3.1
291.12112	1.9
295.16971	1.0
299.20050	1.0
303.19418	0.9
313.17987	2.6
315.12286	2.1
317.21130	13.5
331.19067	14.0
332.19467	1.4
333.13504	5.3
349.16077	1.1
349.20120	15.0
349.24295	1.0
350.20526	1.6
351.14450	10.3
391.21121	8.1
409.22409	0.9
413.16440	2.3
421.21979	3.0
428.94403	1.0
439.21255	2.0
457.22238	22.8
458.22516	1.8
461.25446	1.6
475.17087	1.4
475.23401	16.4
493.24405	2.0
574.87506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
54.29704	0.8
55.01865	2.3
55.05516	1.4
57.03440	1.1
57.48207	0.7
65.03941	1.5
67.05490	4.7
69.03435	9.6
69.07074	2.0
69.62695	6.3
71.04987	2.5
79.05482	5.0
81.03419	17.6
81.07059	6.9
83.01357	1.7
83.04973	2.0
83.08600	1.5
85.02918	3.2
91.05492	6.8
93.07049	10.4
94.02391	0.9
95.04955	4.0
95.08608	9.2
96.05238	0.9
97.02901	18.5
97.06535	2.4
99.04467	3.8
103.05473	2.2
105.07034	15.4
106.07389	1.3
107.04964	2.6
107.08595	16.5
108.08926	1.6
109.02883	100.0
109.06515	5.9
109.10168	6.0
110.03223	2.1
111.04442	3.1
111.08099	3.7
113.05959	1.1
117.07039	2.2
119.04956	1.4
119.08585	33.8
120.08079	1.1
120.08916	2.0
121.02834	1.0
121.06529	3.1
121.10145	10.7
123.04441	2.1
123.08075	12.2
123.11719	2.7
124.08763	1.0
125.09633	62.2
126.09968	2.1
127.03918	61.9
128.04297	1.4
128.06189	0.8
129.07013	1.1
131.04930	2.5
131.08568	3.2
133.06512	3.1
133.10133	26.4
134.06825	0.9
134.10500	2.1
135.08089	2.5
135.10774	1.0
135.11670	4.1
137.05994	2.5
137.09618	3.9
142.07710	0.9
143.08537	4.0
145.02913	0.9
145.04979	7.4
145.06467	1.0
145.10121	2.3
147.04405	1.5
147.08054	13.2
147.11707	1.4
148.08461	1.1
149.06015	1.9
149.09645	1.6
151.03920	0.9
151.07582	2.5
151.11166	4.2
157.10136	1.7
159.11745	2.0
161.05957	1.3
161.09621	18.5
161.10916	1.2
163.03909	2.4
163.11191	3.5
165.05489	3.5
165.09125	20.4
166.09555	1.1
169.10155	1.2
171.08072	1.9
171.11734	1.7
173.09633	1.5
173.13246	1.3
175.07568	1.2
175.11201	1.2
177.05496	2.1
179.10681	13.8
184.07254	0.9
185.09659	1.4
185.13231	0.9
187.14809	1.2
189.05463	1.7
189.09131	15.0
189.12762	1.2
190.09464	1.1
193.04962	1.5
195.11899	1.0
199.11194	2.1
200.11372	0.8
207.10190	21.6
208.10464	2.0
217.04922	4.5
218.05376	2.3
219.05623	1.5
222.08347	0.8
225.11220	38.6
226.11560	3.6
235.06053	2.0
239.09161	2.4
240.09592	1.1
249.11298	1.4
263.09262	2.2
264.09421	1.5
267.12305	4.3
268.12769	1.0
269.12650	0.9
271.16833	1.7
285.18582	1.0
287.09143	1.4
289.17947	1.8
306.10718	1.1
310.78958	1.1
313.18066	3.2
315.12335	2.4
315.19534	1.5
316.20053	1.3
331.19012	14.5
333.13287	5.8
339.13263	1.1
349.20087	16.6
351.14450	8.1
367.21262	1.7
391.21158	8.0
409.22275	0.8
421.21939	2.8
439.21237	2.5
443.23767	1.0
457.22217	24.2
475.23315	18.5
493.24438	5.1
520.20660	3.3
552.23499	1.5
585.28699	1.1
611.25012	1.7
657.24823	0.9
675.26862	1.0
675.38177	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	675.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
53.03948	4.0
53.74623	0.7
55.01874	1.0
55.05503	1.5
57.03424	1.0
57.07093	0.8
60.91571	0.8
62.31963	0.8
65.03922	1.1
67.05503	3.4
69.03432	9.1
69.07076	2.6
70.06596	1.2
71.04993	2.9
73.02929	1.1
79.05493	3.5
81.03421	17.0
81.07050	6.9
83.01328	1.4
83.08624	1.1
85.02913	2.5
85.06559	0.9
85.20374	0.7
86.09701	0.9
91.05486	8.1
93.07057	11.1
95.04991	2.9
95.08620	7.3
97.02895	19.7
97.06510	1.0
98.20725	1.8
99.04468	4.7
105.07028	14.2
107.08595	12.8
107.67562	0.7
109.02885	100.0
109.06510	6.0
109.10161	4.6
111.04441	3.7
111.08093	6.3
117.07029	1.4
119.04916	1.6
119.08590	28.9
121.06523	3.4
121.10159	11.8
123.04481	0.9
123.08070	12.3
123.11708	3.1
124.08877	1.1
125.09635	66.9
127.03925	65.4
128.04289	0.9
131.05006	1.1
131.08591	2.0
133.06561	1.6
133.10138	27.1
135.04413	1.0
135.08038	1.4
135.11696	4.7
137.05974	2.4
137.09604	3.7
139.07596	0.9
143.08546	3.3
145.02808	1.1
145.04964	7.2
145.06516	1.3
145.10123	3.3
147.04402	3.5
147.08046	15.0
147.11658	1.7
149.05989	1.2
149.09685	1.1
151.07552	2.1
151.11195	3.0
153.09157	0.9
157.10156	1.1
159.08084	1.2
159.11678	1.3
161.09624	16.3
163.03922	6.0
163.07552	1.1
163.11174	3.4
165.05495	1.9
165.09125	19.7
167.07063	1.2
169.10155	0.7
171.08017	1.4
171.11795	1.4
173.13234	0.9
175.11206	0.8
177.05466	1.2
179.10677	14.9
181.04974	1.4
184.07349	2.2
185.09578	1.1
187.14886	0.9
189.09122	14.5
193.05019	1.2
207.10173	23.5
217.12207	1.1
225.11229	38.3
229.16161	1.1
233.11922	0.9
249.11148	0.9
267.12128	4.4
271.16843	1.3
285.18668	0.9
287.05542	2.2
289.17966	2.5
295.17010	0.9
303.02448	0.7
303.13141	0.8
313.18011	2.0
315.12256	3.2
315.19217	0.8
321.03925	1.9
331.19037	13.3
333.13239	6.0
342.52954	0.8
349.20074	15.1
351.14395	9.1
367.21133	1.1
391.21259	7.0
421.22290	1.8
439.21152	3.1
457.22266	26.2
475.23303	19.7
493.24118	2.8
552.23212	4.6
611.24054	1.0
675.36542	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.3
57.03413	0.2
61.02872	0.3
67.05466	0.5
69.03378	0.3
69.61350	1.5
71.04967	0.3
79.05457	0.6
81.03411	1.2
81.06997	0.8
85.02823	0.4
91.05447	0.5
93.06967	0.9
95.08574	0.4
97.02825	0.7
98.03198	0.3
99.04411	0.3
105.06964	0.8
107.08518	0.7
109.02877	4.2
109.06415	0.3
109.10130	0.6
110.03158	0.7
117.03326	0.3
117.06930	0.2
119.08569	1.3
120.08877	0.3
121.10062	0.6
123.08018	0.6
123.11628	0.3
125.09628	2.4
126.09930	0.6
127.03919	2.8
128.04253	0.5
131.08560	0.3
133.10126	1.4
133.61353	0.2
134.10406	0.4
135.04335	0.5
145.04904	0.3
147.07976	0.6
159.11696	0.3
163.03877	3.6
164.04195	0.8
165.09053	0.7
166.09421	0.4
179.10611	0.4
189.09009	0.6
207.10130	0.9
208.10509	0.6
225.11134	1.4
226.11525	0.5
332.19598	0.4
350.20178	0.3
351.14578	0.3
391.21454	0.3
412.15112	0.2
440.14365	0.3
441.19519	0.4
445.18683	0.4
451.17114	0.3
452.14706	0.4
453.15668	0.7
454.16382	0.9
455.12576	0.4
456.14291	0.3
457.14832	0.4
457.22363	0.3
458.22443	0.8
467.13049	0.6
468.13538	1.8
469.14798	6.6
470.15488	2.0
471.16394	0.8
472.17441	0.4
475.23041	0.5
476.23685	0.7
480.13611	0.3
481.14655	2.2
482.15860	9.0
483.16565	9.4
484.17291	1.9
485.18076	0.9
487.15964	0.6
495.16800	2.5
496.17593	5.5
497.18207	34.2
498.18686	5.3
499.19986	0.4
500.17090	0.7
501.17978	0.6
502.18701	0.3
509.14267	0.4
510.19116	1.8
511.19867	4.9
512.20709	1.5
513.18408	0.5
515.19250	2.2
516.18909	0.3
523.16669	0.7
524.18646	0.3
525.18274	0.4
528.16211	1.8
529.16870	0.3
538.20282	1.4
539.20404	0.5
541.17249	0.8
542.17822	2.0
543.18652	0.4
555.18536	2.5
556.19470	3.3
557.20190	3.5
558.20532	0.4
569.20490	1.0
571.21924	0.8
573.22815	0.4
583.21619	0.3
587.21204	0.4
598.22821	0.4
616.22046	1.4
617.22369	0.5
625.22925	0.4
629.22278	0.9
630.23187	0.5
643.23981	7.9
644.24719	8.3
645.24048	1.5
657.25555	6.8
658.25580	0.6
660.24133	0.9
675.26575	100.0
676.26855	7.8
699.95471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
57.03437	0.7
57.07072	0.9
64.84644	0.6
67.05503	2.4
69.07069	2.4
69.19309	0.6
70.79383	1.7
79.05501	2.3
81.03419	4.7
81.07050	1.7
83.08610	3.4
89.17970	0.6
91.05480	2.4
93.07064	1.7
95.04984	1.7
95.08634	0.9
97.10188	1.6
98.98478	1.8
105.07031	1.5
106.65628	0.5
107.08695	0.7
119.08588	1.7
121.10168	1.4
131.08565	0.8
133.10107	0.8
147.11732	0.7
149.75584	0.6
157.10129	1.1
175.11113	0.8
193.12279	1.9
262.84528	0.6
267.15970	1.7
311.25787	1.2
384.12610	0.7
398.13879	1.6
399.14566	5.0
411.14709	1.1
412.15369	4.6
413.16144	15.0
414.17075	16.9
415.18179	2.8
426.16827	5.0
427.11777	0.9
427.17633	18.2
428.18494	24.3
429.18906	1.0
430.16333	2.3
432.19412	2.3
439.17874	1.1
440.18582	1.8
441.19699	12.1
442.19986	25.2
443.20840	7.7
444.17511	1.5
451.03348	0.6
455.16696	2.0
455.21271	2.4
456.21600	1.6
457.14917	1.4
458.16147	2.2
469.18777	38.1
470.19040	11.0
471.17160	2.0
472.17361	6.4
473.18164	9.4
474.18506	2.8
485.14093	1.1
486.18878	1.6
495.16690	0.9
496.17181	0.9
497.18317	1.2
500.20053	1.1
501.21460	5.4
502.21997	0.8
503.37360	12.3
509.18420	2.3
510.18964	2.0
513.17725	21.6
514.17627	7.0
525.21234	6.7
526.21558	1.1
528.23169	0.7
541.21008	1.4
557.23993	100.0
558.24158	7.8
573.23346	1.4
587.21216	1.8
588.25830	47.2
589.26501	3.6
599.24567	0.7
600.22284	1.7
601.22937	1.8
615.24457	14.0
616.24866	20.8
617.24677	2.0
631.27527	2.1
643.24023	50.5
644.23865	3.3
647.27020	2.2
675.26660	10.7
675.38904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	1.8
58.72010	0.7
69.07066	1.1
70.19202	3.6
95.08588	1.5
104.80758	0.8
247.26607	0.9
313.27295	1.7
314.27554	2.0
332.29117	0.9
347.17075	0.9
384.12167	2.6
385.12964	10.8
386.13641	4.7
397.12802	2.1
398.13727	5.3
399.14529	19.8
400.15320	53.6
401.15707	4.4
411.14435	1.3
412.15509	7.8
413.16190	18.3
414.16901	20.8
415.17389	4.2
418.17462	1.3
426.17233	1.2
427.18295	8.9
428.18552	14.6
429.19263	40.2
430.12601	0.7
430.19406	3.2
440.14694	0.9
441.15271	2.6
442.16116	5.8
443.13113	5.0
444.14313	11.7
445.14291	0.9
446.17130	1.1
447.20294	2.8
453.16037	1.0
455.17139	16.8
456.17862	6.6
457.14621	3.2
457.19244	2.8
458.15341	4.9
459.16681	5.9
467.13403	1.1
469.18417	2.8
471.17090	1.2
472.17700	6.0
473.18228	21.0
474.18066	1.6
481.14932	1.4
483.16531	11.5
487.16061	4.0
495.17352	1.6
497.17834	1.3
499.16113	2.5
500.16537	1.0
501.17401	12.8
502.18484	4.4
509.14337	1.4
511.19516	2.3
514.21033	1.2
516.23773	10.5
523.16333	1.6
527.15387	6.3
538.17920	1.1
539.19263	10.9
540.19446	6.6
542.19720	1.1
543.22394	12.1
544.23224	31.4
545.22919	1.0
555.18640	3.3
559.21436	1.5
560.22736	10.7
570.20154	1.5
571.21899	55.0
572.22290	12.6
573.20416	2.6
575.25134	4.0
585.23413	1.8
587.21222	6.1
588.22186	100.0
589.22491	6.0
598.20160	1.1
601.22681	1.7
603.24646	6.2
615.20898	7.3
616.21112	7.3
619.23822	5.4
629.22455	14.6
631.23840	8.6
647.23529	9.9
657.11298	1.3
657.21893	17.9
658.21753	1.4
675.23041	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	674.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.2
55.01873	1.9
55.05499	1.6
57.03434	1.0
57.42592	0.6
59.05000	0.9
65.03931	0.7
65.29979	0.5
67.01852	0.8
67.05502	4.4
67.16735	0.6
68.05831	0.6
68.99782	1.5
69.03425	8.2
69.07059	1.0
69.41110	1.8
69.41535	3.8
71.05001	3.6
73.02900	0.9
79.05494	5.1
80.05838	0.8
81.03422	16.5
81.07057	7.3
83.01346	1.1
83.04981	2.1
83.08610	1.0
85.02892	1.7
91.05479	9.7
92.05785	0.6
93.07052	12.6
94.07401	1.3
95.04976	2.0
95.08611	8.8
97.02898	17.1
97.06538	1.3
99.04452	3.6
103.05480	0.8
105.07039	16.9
106.07373	0.8
107.04973	2.2
107.08598	15.6
108.08935	1.1
109.02883	100.0
109.06522	6.5
109.10165	8.6
110.03204	1.1
110.10469	1.4
111.04460	3.1
111.08089	4.7
113.06000	1.1
115.05466	0.8
117.07010	2.6
119.04957	1.0
119.08586	32.9
120.08910	3.3
121.06477	3.2
121.10146	11.1
122.06830	0.8
123.04420	2.7
123.08073	10.3
123.11715	2.8
124.08833	0.9
125.09636	62.5
127.03921	64.8
128.04274	1.8
128.06198	1.0
129.06992	1.4
131.08568	2.1
132.46674	0.5
133.06480	2.3
133.10133	31.0
134.10477	3.2
135.08054	4.0
135.11696	3.8
136.12016	0.8
137.05998	2.4
137.09615	3.9
137.64815	0.5
139.03914	1.6
143.08603	4.5
144.08885	0.8
145.04970	8.5
145.06465	1.1
145.10150	3.7
146.07253	0.8
147.04401	3.2
147.08052	18.2
148.04811	1.7
148.08374	1.5
149.05969	1.1
149.09619	1.6
151.03900	1.6
151.07542	1.8
151.11208	3.6
152.04295	0.7
153.09061	0.7
154.59422	0.6
157.10175	1.2
159.08131	0.9
159.11703	0.9
161.05930	1.4
161.09625	22.4
162.06496	1.1
162.10002	1.5
163.03915	1.1
163.11217	3.5
165.05507	1.1
165.09125	23.8
166.05905	0.6
166.09509	1.7
169.10164	1.1
171.08141	0.8
171.11646	1.5
173.08168	0.7
175.03986	0.9
175.07561	2.2
175.11169	1.1
177.05330	0.6
179.10674	16.6
179.12183	1.1
180.11046	1.4
185.09612	1.4
185.13293	0.7
187.11226	1.0
187.14853	1.0
189.05482	4.6
189.09106	17.1
189.12779	0.7
190.05881	1.3
190.09480	1.8
193.04971	4.5
194.05412	0.9
196.12527	0.7
197.08038	1.0
199.11119	2.8
200.11539	0.6
201.12914	0.6
203.07051	2.2
204.07204	0.8
207.10175	25.8
208.10547	1.7
215.10843	0.7
217.04977	12.5
217.12289	1.7
218.05305	7.0
221.08087	3.1
222.08478	1.0
225.11223	41.8
226.11589	4.9
229.15874	0.8
231.10367	0.7
235.05980	5.4
236.06345	3.3
239.09155	5.2
240.09451	2.9
249.11273	1.6
263.09232	2.8
264.09534	2.7
267.12247	4.6
268.12643	1.6
271.16916	1.4
285.18625	0.9
287.09192	2.8
288.09525	1.6
289.17987	2.3
295.16821	0.9
297.18466	0.8
303.19702	0.7
305.10275	2.5
306.10690	2.3
313.18079	2.4
315.12280	2.5
315.19717	1.7
316.19952	1.8
323.11243	0.7
328.65430	0.6
331.19000	11.8
333.13300	7.1
334.20895	0.6
349.20078	18.2
350.20581	0.7
351.14392	10.0
357.20627	1.0
367.21304	1.6
376.22189	1.3
391.21085	8.6
409.22171	0.8
421.22363	3.1
424.22156	0.7
439.21292	2.7
442.16742	0.5
442.23352	2.1
457.22232	32.3
458.22604	1.7
460.24408	0.8
467.13483	1.0
468.14145	1.3
469.14899	3.7
470.15988	1.3
475.23291	23.4
476.23926	1.1
481.15204	1.3
482.15790	5.4
483.16684	4.8
484.17310	0.9
493.24396	2.6
496.17572	3.2
497.18231	20.6
498.19000	1.4
500.17856	0.6
510.18796	1.4
511.19684	3.2
512.20728	1.7
515.19421	1.7
528.16437	0.8
542.17676	1.3
550.25232	0.9
555.19147	1.0
556.19788	1.3
557.20447	1.9
596.96912	0.7
643.23608	4.2
644.24323	3.2
649.74445	0.6
657.25696	4.2
675.26599	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08552	0.3
53.03936	0.6
55.01891	0.4
55.05510	3.1
57.03455	0.3
57.07074	4.1
59.06139	0.4
65.03948	0.7
65.93645	0.3
67.05505	13.9
69.03429	0.5
69.07069	11.5
70.06617	0.4
71.04992	2.6
71.08628	1.1
71.60751	0.4
71.61180	0.4
79.05495	8.3
81.07059	100.0
82.07392	1.1
83.04977	1.0
83.08625	1.7
85.02920	0.7
85.06107	0.3
85.06534	1.6
86.09705	0.8
87.04458	0.8
91.05486	2.0
93.07048	7.9
95.04971	0.8
95.08608	55.7
95.93423	0.3
96.08956	0.4
97.02903	2.0
97.06528	1.9
97.10181	1.0
98.98468	2.7
99.04443	1.0
99.08121	0.4
101.07182	0.5
105.07046	2.4
107.04946	0.5
107.08599	6.4
109.06517	0.5
109.10159	9.2
111.04433	0.6
111.08089	1.0
113.06017	1.3
115.03893	0.5
117.03399	0.4
117.07021	0.7
119.05032	0.3
119.08572	2.1
121.06471	0.6
121.10146	11.1
123.08088	1.5
123.11717	1.6
125.05987	0.4
125.09653	0.5
131.08577	3.4
133.06520	0.5
133.10143	1.6
135.08049	1.8
135.11702	3.9
136.93088	0.7
137.09698	0.8
137.13258	51.6
138.13603	0.5
139.07510	0.5
139.11209	0.7
145.02866	2.0
145.10136	2.6
147.04440	1.2
147.11699	1.0
149.09645	2.3
149.13268	0.8
151.11212	1.0
153.09087	1.2
154.94148	1.9
159.11684	1.2
161.06039	0.4
161.13263	1.1
163.07558	0.5
163.11256	0.7
163.14812	3.6
165.09276	0.3
165.12735	0.4
167.10638	1.7
172.95241	6.7
172.96696	0.5
177.05452	5.3
177.16389	6.7
181.05060	0.5
181.12263	0.5
181.15779	0.4
187.14821	9.4
190.96288	5.1
193.08575	0.6
195.17456	2.2
205.15877	7.4
211.09787	0.6
213.18469	0.5
223.16933	18.3
234.90825	1.1
235.10947	14.1
241.17998	29.9
242.18358	0.6
252.89517	0.4
252.91913	5.0
259.19058	32.6
260.19293	0.7
270.92926	8.7
275.93576	0.8
277.20062	7.5
291.06659	1.5
293.94669	0.8
307.26227	0.6
309.07697	1.1
311.11316	0.8
320.97980	0.9
371.03363	7.0
371.07962	0.6
372.04163	0.4
377.20453	0.4
389.04462	3.5
400.94424	0.4
412.05908	1.3
439.09537	3.9
442.00589	0.4
507.16046	5.2
548.18451	0.4
673.24500	0.4
673.34198	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	673.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40575	1.0
52.80080	0.9
52.80758	1.0
53.03950	3.7
55.01870	4.5
55.05510	3.5
57.03437	2.3
59.63909	1.0
63.54379	1.3
65.03934	2.7
67.01837	1.0
67.05505	13.1
67.61703	1.0
68.99792	8.9
69.03444	6.2
69.07073	5.2
70.59103	4.5
71.04992	11.6
71.47922	1.1
79.05486	11.9
81.03419	13.1
81.07059	12.9
83.04990	5.5
83.08610	1.4
83.44518	1.0
85.02901	6.7
86.63083	1.1
91.05482	16.9
93.07043	22.2
95.04972	9.7
95.08606	22.7
97.02888	13.8
97.06541	5.2
99.04491	3.0
103.03959	2.0
103.05469	2.7
105.03410	2.5
105.07033	35.9
107.04957	9.0
107.08595	28.1
109.02885	16.6
109.06539	9.6
109.10159	33.5
111.00798	1.3
111.04450	13.3
111.08073	3.2
113.06066	2.0
115.03934	1.4
115.05455	1.8
117.06986	7.4
119.04965	2.6
119.08585	44.8
121.02871	2.5
121.06490	11.4
121.10149	15.0
123.04426	12.8
123.08041	7.5
123.11729	6.1
125.06004	2.1
127.03920	27.6
128.06268	2.3
129.07018	4.7
131.04916	2.1
131.08557	6.1
133.05496	1.1
133.06506	24.0
133.10138	30.0
135.04439	1.9
135.08072	15.7
135.11707	7.4
137.05994	6.1
137.09656	4.2
137.13310	1.8
139.03900	4.8
139.07523	2.0
142.07838	2.7
143.08554	6.7
145.06493	3.3
145.10135	11.0
147.04414	23.9
147.08047	24.7
147.11710	4.4
149.02341	2.2
149.06020	4.6
149.09636	6.2
151.03906	12.5
151.07533	2.7
151.11192	2.3
153.01875	3.0
155.07050	1.2
155.08598	2.2
156.09320	1.4
157.06487	2.9
157.10117	7.7
159.08022	2.1
159.11702	8.1
161.05991	10.9
161.09630	21.9
161.13333	2.2
163.03934	9.4
163.07555	1.5
163.11180	8.2
165.05513	9.9
165.06819	2.2
165.09106	18.1
166.07814	1.5
167.08557	1.7
167.10651	1.2
169.04951	6.3
169.10170	3.8
171.04482	2.7
171.08073	3.4
171.11737	7.7
173.06071	2.1
173.08069	3.2
173.09621	3.4
173.13278	4.3
175.03931	2.0
175.07545	14.1
175.11197	3.0
176.11859	1.2
177.05540	5.3
177.09183	1.5
179.03419	3.8
179.07039	2.9
179.10689	15.0
180.03697	1.5
181.05009	1.9
181.10120	6.0
181.12128	2.2
183.11818	2.8
185.09636	6.0
185.13249	1.8
187.11237	4.2
189.05476	29.0
189.09123	17.2
189.12819	1.8
191.03416	3.3
191.07159	2.0
191.10683	3.8
193.04971	29.1
193.08650	2.5
195.11702	2.4
197.08093	10.2
199.07614	2.2
199.11197	14.1
199.14885	1.4
201.09169	1.5
201.12585	1.2
203.07010	14.2
203.10635	1.8
204.47195	1.2
205.12283	1.9
207.06660	1.3
207.10165	20.9
207.11996	1.6
209.08148	1.6
209.11609	1.7
209.13428	2.0
211.11137	1.6
213.05464	1.3
213.09148	2.0
213.12793	1.7
215.07071	2.0
217.04968	100.0
217.08527	3.0
217.12085	7.0
219.06590	4.2
219.13898	1.9
221.04700	1.5
221.08086	25.3
221.11588	1.7
223.14807	1.4
225.09009	2.6
225.11211	41.4
225.13358	2.3
227.18008	1.6
231.06635	1.5
231.10199	1.3
231.13879	1.5
233.08154	2.3
235.06026	49.6
235.09621	2.5
235.13162	2.6
237.16333	1.9
239.09142	43.5
241.08679	5.0
241.12241	1.5
245.04378	2.5
245.08186	2.2
249.11281	2.7
251.17929	2.6
253.07166	2.8
253.15868	1.4
255.17542	3.2
259.09653	4.4
263.09161	46.5
267.12274	23.9
269.08121	4.3
269.19101	3.8
273.18686	1.3
279.17599	2.1
287.09155	27.1
287.19922	2.8
289.10883	1.8
293.09152	1.3
297.18561	11.9
305.10229	23.6
315.19580	35.8
323.11206	5.1
324.88947	1.3
333.13196	2.4
333.20642	4.4
351.09860	1.5
351.14459	2.1
357.20709	4.2
369.20627	2.4
371.01645	1.2
375.21799	9.3
393.21271	1.8
423.21863	4.1
435.23621	1.7
441.22867	12.6
459.23618	5.3
492.29260	1.4
549.24860	6.1
550.21722	2.0
551.22614	4.1
567.25287	1.3
619.29102	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.2
53.03935	5.5
55.01868	4.6
55.05497	5.2
57.03424	2.7
57.07062	1.3
65.03934	2.4
67.05497	17.2
68.99789	3.5
69.03427	13.6
69.07060	3.9
70.36784	1.7
70.37150	3.2
71.01341	0.9
71.04990	10.7
73.02907	2.1
79.05489	19.7
81.03410	22.7
81.07053	18.7
83.01337	2.1
83.04987	8.2
83.08597	1.6
85.02886	4.1
85.06526	1.2
91.05473	25.6
93.07040	34.3
95.04964	13.3
95.08601	25.8
97.02882	28.2
97.06516	5.7
99.04462	8.0
103.05481	2.5
105.03400	1.1
105.07024	53.1
107.04949	12.5
107.08589	43.1
109.02873	42.0
109.06519	16.3
109.10151	45.6
111.04428	16.6
111.08057	6.1
113.05991	7.0
115.03965	1.3
115.05453	3.4
117.07017	7.5
119.04918	3.3
119.08574	63.2
121.02849	4.8
121.06496	10.8
121.10140	16.8
123.04420	61.0
123.08076	10.7
123.11707	5.8
125.05991	3.3
125.09621	1.3
127.03912	76.4
128.06212	4.8
129.06998	7.1
130.07780	2.0
131.08565	12.4
133.06491	10.2
133.10124	47.5
135.04437	1.1
135.08044	27.5
135.11703	9.1
137.05942	4.7
137.09612	8.7
137.13248	2.1
139.03883	4.1
139.07544	2.1
141.06976	3.6
142.07768	3.0
143.08560	15.9
144.09328	1.5
145.04979	5.9
145.06421	5.3
145.10101	15.8
146.07254	1.7
147.04402	3.7
147.08041	28.8
147.09204	1.6
147.11703	8.5
148.08749	1.3
149.02316	3.8
149.05936	2.4
149.09615	11.9
151.03871	2.2
151.07530	22.1
151.11185	5.7
155.03407	4.2
155.07053	1.6
155.08531	2.5
156.09320	2.8
157.06517	2.7
157.10133	11.4
159.08037	3.5
159.11702	5.9
161.05952	2.0
161.09618	35.9
161.13232	2.3
163.03899	6.0
163.07538	1.5
163.11166	19.6
165.05602	1.7
165.06961	4.0
165.09114	32.6
166.07712	4.7
167.07199	1.1
167.08531	2.0
169.10126	4.6
170.10941	1.2
171.08046	4.4
171.11676	11.6
173.08308	1.2
173.09576	5.5
173.13260	3.5
175.07596	2.5
175.11151	7.6
175.14792	1.3
176.11903	1.1
177.12772	1.7
179.07045	38.7
179.10651	20.5
181.10141	13.0
181.11748	1.6
181.12225	1.4
183.11575	2.6
184.08746	2.1
185.09602	18.4
185.13260	2.5
187.11192	3.6
187.14685	2.1
189.05486	4.8
189.09105	23.9
189.12709	4.5
191.10658	4.4
193.04961	7.9
195.11676	1.4
197.08078	100.0
198.08473	1.5
199.11177	48.0
201.09041	1.2
203.10625	5.3
205.12253	2.2
207.10152	33.4
209.11574	1.4
209.13309	1.6
213.12706	3.8
215.08998	2.3
215.10851	1.5
217.04958	18.0
217.12242	24.9
217.75763	1.0
221.08064	2.1
225.11205	79.6
227.10602	1.4
235.05989	6.4
235.13124	6.2
239.09093	3.7
249.11212	3.3
251.18037	1.4
253.15932	1.7
255.17458	1.3
259.13452	1.8
263.09192	3.9
267.12238	14.7
269.19031	3.2
273.18390	1.7
279.12292	1.4
279.17633	1.2
287.09039	3.3
287.19992	3.4
297.18512	10.4
301.17917	2.2
305.10495	2.3
313.17938	2.2
315.19540	35.2
323.10962	1.3
331.19141	1.2
333.13385	6.1
333.20752	2.5
341.20987	2.4
351.14407	5.5
351.18884	1.7
357.20648	10.1
369.20572	3.9
375.21619	2.2
393.20547	1.4
395.22205	2.3
405.20367	2.3
423.21579	9.7
441.22705	27.7
459.23648	6.4
529.27856	1.8
549.24030	1.4
584.95483	1.2
607.07214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.9
53.03943	5.5
55.01863	4.8
55.05508	5.7
57.03442	3.5
65.84828	1.6
67.05506	18.9
69.03428	15.7
69.07067	7.1
71.01341	1.7
71.04998	9.2
71.59083	2.2
73.02970	1.7
79.05489	19.6
81.03414	23.8
81.07047	24.9
83.01316	1.8
83.04987	6.2
83.89717	1.5
85.02920	5.2
85.06526	1.7
91.05473	22.8
93.07040	38.3
95.04971	10.6
95.08612	23.3
97.02895	25.2
97.06550	2.7
99.04453	7.7
100.58223	1.5
105.07030	49.3
107.04961	11.0
107.08588	43.8
108.08884	1.8
109.02886	39.9
109.06510	15.3
109.10163	45.3
111.04434	15.5
111.08082	6.6
113.06003	4.4
115.03922	1.9
115.05445	4.8
117.07035	9.8
119.08582	54.0
121.02876	6.0
121.06479	12.3
121.10159	17.3
123.04425	51.0
123.08057	10.1
123.11705	6.8
125.05977	3.8
125.09682	1.9
127.03916	77.1
128.06212	4.2
129.06993	10.5
131.08563	12.5
133.06488	11.2
133.10133	48.6
135.04396	2.1
135.08049	25.4
135.11688	9.6
137.06006	2.1
137.09586	9.1
137.13231	2.1
139.03918	4.2
141.07005	2.4
142.07796	3.6
143.08559	18.1
145.04948	5.1
145.06468	4.5
145.10118	18.4
147.08046	26.5
147.11684	7.3
149.09637	14.0
151.07549	17.3
151.11183	6.4
154.07703	2.1
155.03423	5.4
155.08543	5.7
157.06416	2.8
157.10098	12.4
159.08043	4.6
159.11713	7.4
161.06012	3.0
161.09622	34.0
161.13248	3.4
163.03951	4.3
163.07599	1.7
163.11150	20.5
165.06982	3.3
165.09117	26.9
166.07768	5.6
169.10017	2.5
171.08046	5.0
171.11659	11.5
173.09622	5.4
173.13295	4.6
175.11186	4.9
177.12798	2.3
179.07053	38.7
179.10643	23.3
181.10106	13.8
183.11667	2.0
184.07326	2.8
184.08847	1.9
185.09628	19.2
185.13222	2.7
187.11229	3.5
187.14816	1.8
189.05525	3.8
189.09109	22.9
189.12769	6.5
191.10690	6.8
193.04965	6.7
195.11664	2.7
197.08095	100.0
197.09514	4.8
197.13271	2.3
199.11194	52.3
199.14842	3.6
203.10710	7.1
205.12300	2.7
207.10132	33.6
209.11655	2.8
209.13358	2.1
213.12805	3.4
215.09160	2.8
217.04979	20.9
217.12201	27.9
219.13776	2.3
221.08186	3.3
223.13379	1.8
225.11221	96.4
231.13834	2.4
235.05962	9.5
235.13319	5.6
239.09094	6.5
239.12741	2.3
246.18266	1.8
255.17616	2.7
259.13412	2.2
263.09222	2.7
267.12256	18.8
269.19083	2.5
273.18442	3.9
279.17517	2.6
287.09152	2.6
287.19983	2.6
297.18521	13.6
301.18027	2.5
305.10080	3.4
313.17816	2.3
315.19525	47.7
315.22992	3.0
333.13367	9.0
333.20734	3.7
341.21320	2.1
351.14383	5.2
351.19208	1.9
357.20581	16.9
369.20535	7.4
375.21796	2.4
387.19626	2.2
405.20316	4.3
413.22977	2.1
423.21530	10.3
441.22714	36.0
459.23679	8.3
673.42908	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01869	5.9
55.05514	5.5
57.03437	1.7
59.04978	1.1
65.03640	0.8
65.03952	3.1
67.05171	1.4
67.05506	17.3
68.99790	3.6
69.03426	12.9
69.07076	4.5
69.91927	2.6
69.92342	2.1
70.32822	0.8
71.04995	9.4
73.02920	1.5
77.03912	0.9
79.05496	19.0
81.02972	1.7
81.03424	24.2
81.07052	20.0
82.82849	0.8
83.01352	1.7
83.04980	5.2
83.08641	2.0
85.02905	4.7
85.06557	1.0
91.05485	23.7
93.07049	35.0
95.04978	10.1
95.08047	0.8
95.08613	24.6
97.02896	25.2
97.06537	5.0
99.04465	8.7
99.08109	0.8
103.05450	2.2
105.03397	1.6
105.07036	51.2
107.04962	9.3
107.07863	1.7
107.08597	37.5
109.02885	41.6
109.06520	13.1
109.10163	41.9
111.04443	15.8
111.08070	4.8
113.05986	4.9
115.03967	1.4
115.05449	2.3
117.07026	8.4
119.04955	2.3
119.08585	61.2
120.08900	1.0
121.02877	6.2
121.06524	11.3
121.10143	17.0
121.59517	0.8
121.62547	0.7
123.04434	62.3
123.08078	11.5
123.11713	6.6
125.05983	2.5
127.03922	70.8
128.06209	5.0
129.07001	8.3
130.07811	2.5
131.04941	1.0
131.08583	11.9
133.06496	11.1
133.10135	44.9
135.04427	1.2
135.08060	25.2
135.11705	8.3
137.05986	4.6
137.09630	6.7
137.13272	2.7
139.03940	4.0
139.07532	1.6
141.07034	2.6
142.07796	5.1
143.08565	15.4
145.04988	4.8
145.06480	3.7
145.10135	15.0
146.07266	1.4
147.04422	3.2
147.08055	27.8
147.11696	8.1
149.02338	6.2
149.05977	1.5
149.09633	12.2
151.03876	1.5
151.07555	21.3
151.11201	5.5
153.05469	1.3
155.03412	3.9
155.08604	3.4
156.09340	2.1
157.06506	3.3
157.10115	9.8
159.08063	4.7
159.11703	7.4
161.06000	2.5
161.09625	35.4
161.13281	2.1
163.03937	2.6
163.07556	1.3
163.11194	20.9
165.05550	1.3
165.06963	2.4
165.07661	1.4
165.09122	29.9
166.07794	5.6
167.08589	2.1
169.06502	1.2
169.10117	4.8
171.08037	5.0
171.11690	9.1
173.09590	5.1
173.13313	3.1
175.07582	1.6
175.11176	5.2
175.14864	1.2
177.09157	1.3
177.12698	1.2
179.05457	1.9
179.07048	37.5
179.10666	21.5
181.10149	12.7
181.12102	2.1
183.11708	1.9
184.08855	3.2
185.09624	17.7
185.13278	2.7
187.11150	4.4
189.05586	5.1
189.09142	21.0
189.12750	5.3
191.10677	6.8
193.05005	9.5
193.12288	1.0
195.11742	1.8
197.08102	100.0
197.13226	2.1
199.11191	47.0
199.14859	1.8
201.12724	1.7
203.07092	1.5
203.10652	5.3
205.12279	2.5
207.10185	30.2
209.11644	2.1
209.13364	1.5
211.14867	1.7
213.12872	2.0
215.09122	2.1
215.10887	1.6
217.04980	17.2
217.07014	1.4
217.12276	21.8
219.13695	2.0
221.08084	3.0
221.11673	0.9
223.11264	1.4
223.14915	1.0
225.11226	80.8
227.17972	1.6
231.13710	1.6
235.06030	8.2
235.13167	4.6
237.12756	1.1
237.16441	1.4
239.09134	4.8
241.12206	1.1
249.11263	1.9
251.17953	1.6
255.17496	2.5
259.13379	2.5
263.09201	3.8
267.12247	16.3
269.15674	0.9
269.19058	3.1
277.14178	1.4
279.12195	1.5
279.17380	1.9
287.09125	3.0
287.12653	1.0
287.16431	0.8
287.20029	2.3
297.13419	1.8
297.18494	12.1
301.18018	1.4
305.10251	2.6
313.17987	1.8
315.19568	38.1
316.19827	1.4
331.19012	1.4
333.13336	6.9
333.20517	1.9
341.21274	1.6
351.14413	6.1
351.18915	2.0
357.20639	13.5
369.20587	4.2
375.21643	3.1
377.21173	1.7
393.20416	1.8
395.21707	1.1
405.20786	3.4
421.18884	1.0
423.21689	9.8
441.22726	23.5
442.23196	1.1
445.90479	1.1
453.48721	0.9
459.23920	6.6
529.27893	1.7
539.91937	1.0
607.07404	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01868	4.8
55.05508	6.5
55.80355	2.2
67.05502	29.8
68.99793	13.6
69.03429	17.0
69.07059	6.7
69.53705	18.1
71.05003	15.8
71.58430	2.1
77.03922	3.1
79.05490	25.5
81.03423	23.2
81.07059	31.3
83.04981	9.8
83.08610	3.2
83.82594	2.5
85.02927	11.5
91.05477	36.8
93.06479	3.4
93.07050	48.7
95.04969	16.8
95.08604	31.1
97.02378	2.5
97.02901	30.6
97.06525	4.5
99.04443	7.7
103.05438	6.2
105.07031	68.5
107.04955	16.4
107.08599	59.0
109.02877	30.4
109.06535	21.9
109.09459	4.6
109.10159	64.0
111.04449	18.7
111.08070	7.3
113.05995	4.2
115.05433	5.0
117.06998	11.6
119.04950	5.1
119.08585	81.9
121.02850	6.4
121.06493	18.0
121.10168	23.0
123.04434	23.6
123.08063	14.4
123.11695	9.3
125.06009	3.7
127.03925	71.9
128.06218	6.0
129.06992	15.2
130.07799	2.2
131.08580	14.9
133.06490	8.7
133.10136	64.9
135.08063	32.8
135.11670	12.0
137.05994	10.5
137.09665	11.6
139.03923	5.2
141.07054	3.3
142.07782	6.6
143.08580	24.1
145.04964	6.1
145.06456	4.8
145.10127	22.7
146.07228	3.4
147.04422	28.1
147.08052	53.4
147.11691	8.1
149.05971	5.7
149.09634	12.5
151.03940	13.1
151.07524	6.1
151.11168	8.0
155.08568	4.1
157.06509	5.0
157.10114	12.9
159.08076	6.7
159.11717	9.2
161.05957	13.0
161.09633	47.9
163.03902	10.6
163.07541	3.6
163.11188	25.8
165.05458	8.5
165.06940	4.3
165.09117	40.1
166.07791	10.3
169.04985	3.1
169.06538	2.2
169.10207	3.9
171.04549	2.6
171.08076	5.7
171.11647	11.2
173.08092	4.3
173.09529	4.7
175.03891	4.5
175.07564	17.1
175.11172	4.8
177.05487	6.4
179.07077	6.3
179.10681	32.1
181.10147	12.1
185.09624	23.4
187.11212	7.7
189.05492	34.4
189.09099	30.5
191.10701	5.4
193.04976	30.4
193.08615	3.4
197.08133	21.2
197.09723	4.5
199.11174	56.0
203.07021	17.9
203.10715	7.0
205.01620	2.7
207.10173	41.2
209.11638	2.7
211.14917	3.5
213.12865	3.2
217.04985	100.0
217.08325	3.7
217.12234	30.4
219.06580	3.9
219.13875	2.8
221.08136	24.5
225.09029	5.7
225.11227	97.4
233.08060	4.0
234.81903	2.5
235.06035	57.2
235.09561	3.8
235.13312	5.3
239.09135	41.4
241.08669	4.3
245.04555	2.8
245.07938	4.2
249.11119	7.1
253.06912	2.8
255.17441	4.8
259.09738	3.1
263.09167	47.9
267.12283	38.3
269.18997	3.7
273.18283	2.5
287.09128	27.0
287.20239	3.1
297.18475	8.2
305.10156	22.3
315.19577	46.3
323.11322	8.2
333.13300	5.5
333.20593	5.7
351.14523	4.5
351.19675	3.6
357.20676	14.9
369.20471	7.3
375.21487	8.0
382.30548	2.6
423.21646	10.4
441.22733	29.1
459.23718	6.3
520.32092	2.6
549.24384	6.4
574.31567	2.6
619.29327	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50113	1.3
53.03936	5.3
55.01873	5.6
55.05496	4.1
57.03429	2.7
59.04984	2.0
59.97541	1.0
61.42253	1.1
65.03932	2.5
67.05505	19.9
68.99793	11.6
69.03434	10.6
69.07052	4.3
71.01339	1.9
71.04988	12.7
71.05570	2.0
79.05491	15.5
81.03423	13.6
81.07059	16.2
83.01340	2.0
83.04980	5.6
85.02915	7.9
91.05487	20.2
93.07048	27.3
95.04977	10.0
95.08044	2.0
95.08607	20.2
97.02890	18.0
97.06550	1.4
99.04446	3.5
103.05456	2.7
105.03383	2.8
105.07038	38.2
107.04951	9.6
107.08601	32.3
109.02885	22.7
109.06523	11.3
109.10162	45.5
111.00790	2.2
111.04433	10.5
111.08072	2.0
113.05991	2.3
115.05449	4.9
117.07009	7.1
119.04933	4.1
119.08583	56.7
121.02833	2.7
121.06503	13.5
121.10132	13.3
123.04439	14.6
123.08041	9.7
123.11710	6.1
125.05978	2.1
125.09635	5.1
127.03922	33.7
128.06215	4.0
129.07057	7.3
130.07788	1.1
131.08575	6.2
133.06496	9.3
133.10132	41.6
135.08051	18.3
135.11694	7.1
137.05968	8.7
137.09605	6.1
139.03888	4.9
139.07553	1.6
142.07845	2.8
143.08557	12.3
145.05014	1.8
145.06471	5.0
145.10126	7.5
147.04404	26.4
147.08058	33.3
147.11670	4.8
149.02330	4.6
149.05991	3.3
149.09644	7.8
151.03918	13.9
151.07552	3.1
151.11151	4.5
153.01857	1.4
155.03386	1.8
155.08580	2.8
156.09303	1.2
157.06488	4.6
157.10123	6.1
157.48019	1.3
159.08023	3.3
159.11696	3.9
161.06020	10.9
161.09634	30.0
163.03922	8.6
163.07593	1.4
163.11206	11.1
165.05472	10.4
165.06931	2.7
165.09117	32.3
166.07825	2.0
167.08411	1.3
169.04976	5.9
169.10216	2.5
171.04395	1.5
171.08054	3.8
171.11711	4.9
173.05960	2.2
173.08066	4.4
173.09637	3.3
175.03906	2.7
175.07552	15.3
175.11192	2.9
177.05463	5.2
179.07048	3.5
179.10686	20.6
181.05009	1.9
181.10114	4.8
183.11821	1.2
185.06009	1.5
185.09625	8.5
185.13249	1.7
187.11205	2.3
189.05478	33.0
189.09114	21.9
189.12759	2.2
191.03271	2.6
191.07054	2.2
191.10674	2.8
193.04967	30.2
193.08583	1.5
195.11734	1.5
197.08119	8.7
197.09647	2.0
199.03920	1.9
199.07460	1.5
199.11194	22.0
199.14824	1.7
203.07045	14.7
203.10695	4.2
205.12262	2.0
207.10161	26.2
213.09152	2.5
215.07025	1.8
215.10905	1.3
217.04968	100.0
217.08548	4.1
217.12193	12.5
219.06526	2.9
219.13763	1.5
221.08104	28.7
225.11224	62.9
226.11627	1.4
233.08058	2.3
235.06020	50.0
235.09729	3.4
235.13235	2.0
239.09143	41.4
241.08585	4.9
245.08096	2.9
249.11272	6.6
253.07123	2.7
255.17517	1.8
259.09579	6.0
263.09158	45.1
267.12271	30.3
269.08008	4.4
269.19070	2.2
273.18228	1.4
279.17267	2.0
287.09149	27.8
287.20178	2.2
297.18481	6.7
305.10156	19.0
315.19577	26.2
323.11224	8.3
331.19110	1.7
333.13254	3.6
333.20609	2.7
349.20200	1.3
351.14459	2.2
357.20587	6.3
369.20798	2.8
375.21591	7.3
393.20529	1.7
405.20773	2.5
423.21582	3.9
432.71652	1.3
435.23779	2.6
441.16071	2.0
441.22714	13.4
457.22247	1.9
459.23831	3.5
549.24609	5.0
619.28894	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
53.61374	2.0
55.01856	6.7
55.05501	9.0
57.03432	4.4
65.03927	2.5
67.01833	2.3
67.05505	23.6
68.99793	12.1
69.03425	17.6
69.07050	8.1
70.35564	9.9
71.01338	2.3
71.04998	15.9
73.02892	3.3
73.61008	1.8
79.05486	20.9
81.03412	24.4
81.07060	27.6
83.04980	10.6
83.08594	2.7
85.02887	9.2
91.05483	27.2
93.07045	34.6
95.04950	9.3
95.08601	32.9
97.02888	30.8
97.06517	9.0
98.03248	3.1
99.04449	7.3
103.05454	4.7
105.03385	4.4
105.06304	2.6
105.07027	51.0
107.04936	12.2
107.08588	45.7
109.02885	69.1
109.06526	13.6
109.09454	3.6
109.10156	51.3
110.03213	5.1
111.04451	25.1
111.08079	5.3
113.05991	4.2
115.05444	4.7
117.07017	11.9
119.04961	5.8
119.08577	74.9
120.08854	2.1
121.02869	4.8
121.06491	18.1
121.10122	24.2
123.04417	20.9
123.08068	18.5
123.11681	9.5
125.02384	2.3
125.05969	4.1
125.09620	25.8
126.09935	3.2
127.03916	73.7
128.04277	3.2
128.06232	3.8
129.06999	7.4
131.04889	4.1
131.08586	16.0
132.05753	2.4
133.06508	30.5
133.10120	51.5
134.10474	3.5
135.04355	2.5
135.08028	19.7
135.11670	10.3
137.05965	8.8
137.09581	8.7
139.03917	5.8
140.45631	2.0
142.07756	3.6
143.08539	12.1
145.02879	2.6
145.05020	5.2
145.06483	5.0
145.10138	16.1
146.07166	2.6
147.04405	30.5
147.08054	35.7
147.11697	5.9
149.05986	4.9
149.09589	10.9
151.03911	13.6
151.07498	4.9
151.11194	5.2
153.01843	3.1
155.08516	4.2
156.09291	2.1
157.06491	5.1
157.10132	11.1
159.08055	3.6
159.11705	10.0
161.06009	13.9
161.09596	41.8
162.09969	4.9
163.03947	13.6
163.07539	4.5
163.11206	15.9
165.05475	9.8
165.06900	3.7
165.09125	35.2
166.07806	4.0
166.09607	3.0
167.08490	2.5
169.04933	5.4
169.10144	4.7
171.08093	3.5
171.11649	13.4
173.06053	2.5
173.08051	5.2
173.09575	4.6
173.13232	5.1
175.03934	3.2
175.07555	16.5
175.11256	5.0
177.05489	9.2
177.12782	2.7
178.05913	2.2
179.03362	10.1
179.07013	9.1
179.10667	18.0
180.03700	2.8
181.10106	7.6
183.11658	5.7
185.09589	14.2
185.13249	4.7
187.11195	4.3
189.05495	28.0
189.09109	24.4
189.12793	3.2
191.07050	3.4
193.04942	32.0
193.08578	3.0
195.11685	4.4
197.08046	15.7
197.13326	3.8
199.11166	29.9
199.14905	3.2
203.07030	16.0
203.10695	4.9
205.04886	3.1
205.10431	2.6
207.10172	27.3
209.08189	3.7
209.11673	2.4
209.13397	3.2
211.11230	2.0
213.12686	2.3
214.23441	2.5
217.04958	100.0
217.08379	4.2
217.12233	12.0
219.06480	4.0
219.13757	4.8
221.08101	22.8
225.09003	4.0
225.11206	70.5
225.16002	2.0
226.11548	4.9
227.10715	2.4
235.05995	45.1
237.12701	4.3
239.09116	39.2
241.08498	3.4
245.08115	3.0
249.11118	4.4
251.17915	3.4
253.15822	2.5
259.09708	4.4
263.09131	42.0
267.12219	22.3
269.07980	4.8
269.18927	4.2
271.17001	2.4
273.18323	3.1
279.17194	4.2
286.58734	2.2
287.09134	26.5
287.20084	3.8
297.18436	16.3
305.10260	18.4
313.17966	4.6
315.19556	45.7
323.11237	7.7
331.18954	4.9
333.13278	4.0
333.20685	7.8
349.20020	2.8
351.14429	5.8
351.20264	2.4
357.20483	7.5
369.20386	4.7
375.21527	7.2
423.21649	10.9
441.16730	3.4
441.22739	19.4
457.22147	3.7
459.23532	8.0
549.24683	5.0
673.34235	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	673.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	1.0
53.03942	6.6
55.01871	6.4
55.05512	8.6
57.03426	4.0
59.04994	1.6
63.41823	1.1
65.03939	4.5
66.90124	1.1
67.01858	1.8
67.05505	27.9
68.99792	7.1
69.03428	22.5
69.07067	9.6
71.01346	1.1
71.04991	16.1
73.02908	1.4
79.05492	23.2
80.05814	1.2
81.03419	32.5
81.07056	29.2
82.30473	0.9
83.01326	1.8
83.04984	12.0
83.08604	3.7
85.02913	7.8
85.06541	2.0
86.09691	1.2
91.05480	34.1
93.03381	1.6
93.07044	47.7
95.04965	17.8
95.08605	39.6
96.08895	1.0
97.02888	30.9
97.06525	13.1
99.04458	8.5
103.05476	4.5
105.03418	2.0
105.07030	65.2
107.04941	15.1
107.08594	57.5
108.85413	1.2
109.02879	49.8
109.06515	16.7
109.09015	1.1
109.10153	56.0
111.04445	37.4
111.08097	6.6
113.05999	6.6
115.05475	5.9
117.07017	11.8
119.04930	4.8
119.08579	82.7
121.02866	5.4
121.06512	16.2
121.10150	26.3
123.04429	64.5
123.08065	18.1
123.11712	12.5
125.05976	4.1
125.09695	1.7
127.03917	94.6
128.06247	6.1
129.07007	9.1
130.07750	2.9
131.04929	1.4
131.08566	17.0
133.06493	35.7
133.10126	59.6
135.04413	2.4
135.08047	31.3
135.11691	10.9
137.05992	7.1
137.09605	9.4
137.13245	2.2
139.03915	7.7
139.07507	3.1
141.07011	2.4
142.07790	6.7
143.08540	23.1
144.09256	1.7
145.04987	7.2
145.06467	5.5
145.10115	22.7
146.07233	1.4
147.04424	11.7
147.08041	38.7
147.11685	9.4
149.02371	1.4
149.05948	4.4
149.09619	15.5
151.03911	6.3
151.07529	22.2
151.11183	5.7
152.06255	1.2
153.01840	2.4
153.07021	2.6
155.03406	5.5
155.07214	1.2
155.08524	5.8
156.09357	4.5
157.06470	4.7
157.10130	16.1
158.07242	1.2
159.08083	5.2
159.11691	15.0
161.06009	7.7
161.09622	40.1
161.13249	3.3
163.03926	6.6
163.07521	3.6
163.11203	22.0
165.05489	5.8
165.06975	4.3
165.09116	38.3
165.12701	1.7
166.07773	6.7
167.08569	3.7
167.10739	1.3
169.04958	2.9
169.10110	9.7
170.10884	2.4
171.04443	1.2
171.08043	6.1
171.11690	16.3
172.03923	2.2
173.06004	1.3
173.08182	1.8
173.09596	4.9
173.13278	8.9
175.07559	8.7
175.11153	8.4
175.14822	2.2
176.11839	1.5
177.05484	5.0
177.09061	2.5
177.12733	2.0
177.16335	1.1
179.03474	2.2
179.07048	39.6
179.10635	25.0
180.09378	1.5
181.08636	2.2
181.10107	14.0
181.12274	2.0
183.11627	4.9
184.08813	2.8
185.09605	20.9
185.13190	6.2
187.11197	8.5
187.14812	5.5
189.05464	15.9
189.09094	25.3
189.12737	4.8
191.07024	1.3
191.10617	6.4
193.04999	15.6
193.08606	1.8
193.10132	1.3
195.11693	4.8
197.08093	100.0
197.09523	4.2
197.13245	4.8
199.07446	1.7
199.11185	50.6
199.14832	5.4
200.11661	1.5
201.05447	1.7
201.12743	4.5
203.06984	7.5
203.10617	7.0
203.14389	1.6
204.06573	2.6
205.10381	1.2
205.12234	4.1
207.10155	32.4
207.12000	2.2
209.11626	2.4
209.13309	3.7
211.11179	1.5
211.14806	3.9
213.09203	1.4
213.12822	5.1
215.07076	2.3
215.08945	2.1
215.10701	3.2
217.04970	56.0
217.08400	2.1
217.12216	21.6
218.05219	1.3
219.06528	2.7
219.13800	4.4
221.08054	11.0
221.11583	2.1
223.11147	2.0
225.11203	89.1
227.10677	1.9
227.12662	1.6
227.17908	2.3
229.12230	1.7
231.13873	2.2
233.15421	1.3
235.05995	24.8
235.09634	2.1
235.13063	5.4
237.12859	1.6
237.16336	3.9
239.09140	21.8
241.08615	3.2
241.12296	3.9
241.19502	1.4
243.17664	1.1
245.08101	1.4
246.14128	1.1
249.11125	2.1
251.17999	4.5
253.15903	1.4
255.13693	2.2
255.17406	2.8
257.15366	1.5
259.09671	3.3
259.13284	2.8
263.09149	20.6
266.13947	1.9
267.12274	20.4
269.08008	2.4
269.18967	7.8
271.20792	1.8
273.18524	2.9
279.12201	2.2
279.17438	3.8
281.15619	1.3
285.18335	1.5
287.09186	11.0
287.16690	2.0
287.20078	7.7
295.17126	2.3
297.13370	1.8
297.18427	22.9
297.21603	1.9
305.10181	11.6
309.18216	1.4
313.17996	6.3
315.19559	64.8
317.14975	7.8
323.11221	3.0
325.11847	1.2
331.18982	6.5
333.13364	5.3
333.20602	7.5
341.12247	1.2
341.21188	1.8
351.14340	5.3
351.18616	1.2
357.20642	9.1
369.20541	5.7
375.21738	7.6
393.20575	1.9
395.22458	1.4
399.21695	1.7
405.20737	4.7
411.21652	1.8
413.23337	1.6
423.21539	12.5
424.22220	1.7
441.16528	1.5
441.22757	30.3
459.23825	12.1
529.28003	2.2
549.24487	3.7
619.28754	1.5
623.20111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84071	1.2
51.34253	1.2
53.03936	5.2
55.01866	3.6
55.05508	5.1
57.03429	3.4
57.07059	1.7
65.03928	3.1
66.12685	1.2
67.01842	2.3
67.05503	14.5
68.99780	7.1
69.03423	8.7
69.07058	5.1
70.35912	5.7
71.04698	1.3
71.04996	13.9
74.27312	1.2
79.05494	12.8
81.03422	14.3
81.07051	14.0
83.04971	4.8
83.08608	2.6
85.02901	7.6
90.27274	1.1
91.05484	20.1
93.07046	22.3
93.89343	1.3
95.04977	7.1
95.08608	25.9
97.02889	16.2
97.06529	5.1
99.04452	4.0
103.05478	2.4
105.03388	2.6
105.07036	34.9
107.04954	9.1
107.08601	34.0
109.02886	21.3
109.06516	9.3
109.09460	2.7
109.10160	38.0
111.04450	15.4
111.08060	3.6
113.06006	3.4
115.05442	2.5
117.07000	4.4
119.04907	3.4
119.08585	49.3
121.06516	12.9
121.10171	15.3
123.04433	14.5
123.08089	9.1
123.11707	6.9
123.28297	1.3
125.05969	1.5
125.09629	3.7
127.03926	38.5
128.04230	2.5
128.06189	3.4
129.07027	5.5
131.08589	9.0
133.06490	24.0
133.10133	38.2
135.04459	2.1
135.08063	15.1
135.11664	6.7
137.05940	5.0
137.09613	4.6
139.03889	9.2
139.07594	1.9
142.07742	3.2
143.08566	11.5
145.03026	1.4
145.04930	2.0
145.06485	3.3
145.10115	11.5
146.07338	1.7
147.04419	25.1
147.08069	24.2
147.11687	4.3
149.02361	4.1
149.05914	4.6
149.09644	8.8
151.03932	11.0
151.07533	2.8
151.11147	4.8
153.01790	2.6
155.08568	2.8
156.09331	1.6
157.06505	3.3
157.10110	9.3
159.08060	4.1
159.11700	7.5
161.06021	9.6
161.09608	26.0
161.13330	2.7
163.03949	9.1
163.11176	8.9
165.05482	7.2
165.06885	2.3
165.09117	17.9
166.07771	2.1
167.07193	1.7
167.08678	1.5
169.04968	5.1
169.10132	4.0
171.08058	2.3
171.11688	6.7
173.08183	3.1
173.09639	4.2
173.13249	3.9
175.03894	3.3
175.07562	16.7
175.11244	3.4
177.05511	6.5
179.03409	6.7
179.07086	3.1
179.10687	16.2
181.05032	1.7
181.10153	3.9
181.11903	1.4
183.11716	1.8
185.09598	7.8
185.13210	3.2
187.11124	4.2
187.14821	2.7
189.05489	29.5
189.09126	18.4
191.03484	1.7
191.07021	3.3
191.10678	5.4
193.04961	26.9
195.11699	1.8
197.08073	11.4
197.09657	2.0
197.13268	2.9
199.07561	1.9
199.11212	16.3
199.14771	3.5
201.05508	1.7
201.12799	1.9
203.06992	12.2
203.10643	3.7
205.12218	1.8
207.10164	21.6
209.08006	1.9
209.13350	3.5
213.09219	3.0
213.12866	2.4
215.07050	1.8
217.04970	100.0
217.08376	2.7
217.12201	8.2
219.06516	4.1
219.13774	2.3
221.08092	25.5
225.09012	2.7
225.11211	48.6
225.16248	1.9
234.91371	1.5
235.06020	48.6
235.09576	2.7
235.13168	1.7
237.16245	1.6
239.09138	39.5
241.08583	5.3
241.12186	2.0
245.04514	2.3
245.08125	2.4
249.11237	5.3
251.18094	2.6
253.06984	2.6
259.09625	4.7
263.09167	34.5
267.12265	26.3
269.08081	2.7
269.18912	3.6
279.17395	2.9
287.09174	24.5
287.19946	4.3
297.18460	12.2
305.10153	20.3
313.18103	2.2
315.19592	35.0
323.11273	5.3
331.18933	2.8
333.13593	2.1
333.20496	5.9
351.14371	2.7
351.20496	2.4
357.20584	3.2
369.20587	2.1
375.21600	6.1
423.21713	3.9
435.23685	3.3
441.16901	2.2
441.22726	12.8
459.23416	5.8
477.23337	1.7
494.28711	2.1
506.19064	6.4
549.24994	7.0
551.22357	4.3
619.29303	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
53.33342	0.8
55.01862	4.3
55.05510	5.4
57.03419	2.0
57.07073	1.1
65.03927	2.8
67.05173	1.2
67.05505	18.6
68.99778	2.5
69.03422	13.2
69.07071	6.3
69.34315	5.0
69.34744	3.8
71.04996	8.4
76.45238	0.8
76.98197	0.9
79.05489	17.2
81.03419	22.3
81.07058	19.9
83.01333	1.4
83.04973	5.7
83.08607	3.4
85.02909	5.0
88.44367	1.1
91.04884	1.5
91.05478	23.7
93.07043	33.8
93.07629	1.8
93.13863	0.9
95.04974	12.3
95.08604	24.3
97.02892	24.3
97.06529	8.8
98.21481	1.8
99.04437	7.0
99.08092	1.4
103.05455	1.1
105.03414	1.3
105.07030	45.1
107.04942	9.1
107.08593	37.0
109.02123	1.4
109.02879	39.5
109.06516	13.4
109.10158	39.6
111.04437	26.0
111.08105	6.2
113.05994	6.4
115.05473	2.1
117.07053	7.4
119.04983	2.1
119.08579	54.4
121.02863	3.4
121.06506	8.9
121.10137	19.8
123.04427	63.9
123.08076	9.8
123.11710	6.6
125.05987	2.4
125.09653	1.0
127.03913	69.6
128.06232	4.4
129.07001	8.4
130.07738	1.6
131.08557	11.9
133.06493	24.0
133.10129	38.9
135.08054	22.4
135.11714	7.5
137.05989	2.4
137.09604	7.3
137.13245	1.7
139.03897	3.6
139.07538	2.6
141.06976	2.6
142.07748	4.2
143.08554	16.3
144.09261	1.0
145.04967	5.5
145.06470	4.1
145.10127	15.9
146.07294	1.1
147.04404	2.8
147.08049	28.7
147.11667	6.7
148.08702	1.4
149.02278	1.1
149.05978	2.4
149.09621	9.6
151.03906	2.3
151.07530	23.2
151.11169	4.2
153.06981	1.6
155.03381	4.5
155.07164	1.4
155.08549	3.9
156.09337	3.4
157.06511	1.1
157.10121	12.3
159.08052	4.6
159.11667	9.6
161.05959	2.7
161.09619	30.4
161.13284	2.8
163.03926	2.2
163.07607	2.2
163.11172	15.8
165.05489	2.0
165.06932	2.1
165.09113	24.9
166.07758	4.3
167.08488	1.6
169.05020	1.2
169.10106	4.5
170.10942	1.5
171.08023	2.6
171.11688	12.0
173.06088	0.8
173.08218	1.4
173.09605	4.7
173.13257	3.8
175.07545	2.2
175.11148	5.3
175.14796	1.9
177.12782	1.7
179.07034	43.6
179.10635	16.9
181.10098	10.0
183.11674	2.5
184.08769	2.9
185.09615	16.2
185.13216	4.4
187.11186	3.4
187.14827	2.0
189.05531	5.7
189.09077	16.7
189.12737	3.4
191.10683	5.4
193.04991	4.5
195.11685	2.8
197.08086	100.0
197.09451	4.5
197.13222	3.9
199.11176	35.7
199.14882	3.2
201.12711	1.9
203.10681	4.6
203.14272	1.4
205.12241	2.2
207.10156	31.6
209.13298	2.3
211.14827	3.3
213.07437	1.6
213.12758	3.3
215.09003	1.5
215.10756	2.4
215.14114	1.3
217.04976	16.3
217.12234	18.2
219.06578	1.1
219.13788	4.5
221.08072	2.6
223.11093	1.2
223.14882	1.2
225.11211	65.2
227.10675	2.1
227.14363	1.3
227.18018	1.4
229.12265	1.3
235.06000	7.5
235.13330	3.1
237.12802	1.2
237.16260	1.7
239.09093	4.0
241.12329	1.9
241.19719	1.2
245.11551	1.2
251.17966	3.2
253.15785	1.3
253.19653	1.1
255.13733	1.3
255.17525	2.4
259.13358	3.4
263.09128	4.1
267.12271	10.3
269.19031	4.2
271.17026	1.3
273.18494	3.2
279.17432	4.0
287.09055	1.9
287.16483	1.8
287.20056	3.7
295.16748	1.9
297.18472	16.3
301.17859	1.7
305.10226	2.1
313.18045	3.8
315.19543	42.6
331.18951	3.1
333.13324	6.6
333.20554	3.2
351.14331	3.8
351.19498	1.5
357.20569	8.6
369.20468	4.1
375.21698	3.9
375.46704	1.0
377.20856	1.0
393.20737	1.5
395.21652	1.1
405.20743	3.6
411.21591	1.2
423.21603	10.2
441.16534	1.2
441.22702	24.3
445.20932	1.2
459.23703	10.6
493.97018	1.0
529.26898	1.0
549.24695	0.9
704.63574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	2.2
51.63473	1.8
53.03938	6.5
55.01865	7.9
55.05500	8.0
57.03423	4.7
59.20398	2.3
61.02933	2.5
65.03927	3.4
67.05505	27.2
67.77377	1.9
68.99772	9.4
69.03427	14.7
69.07063	10.5
70.58079	5.2
71.01358	2.0
71.04994	18.9
79.05491	21.9
79.86647	1.9
81.03419	22.8
81.07053	29.0
82.50689	2.0
83.01301	1.9
83.04988	10.4
83.08619	4.6
85.02904	12.3
90.63345	1.9
91.05474	32.9
93.07047	40.9
93.22897	2.2
95.04964	11.9
95.08060	2.5
95.08608	37.2
97.02889	24.7
97.06530	17.2
99.04424	3.4
103.05445	3.5
105.07030	58.0
107.04971	9.9
107.08593	45.1
109.02882	33.2
109.06514	14.3
109.10161	49.5
111.04449	34.0
111.08057	3.8
113.05997	3.5
115.05431	4.8
117.07021	13.3
119.04968	4.4
119.08582	77.8
121.02839	3.9
121.06503	15.5
121.10156	25.8
121.91138	2.3
123.04446	17.0
123.08055	14.7
123.11700	10.1
125.05970	5.0
127.03912	64.2
128.06219	3.7
129.07019	11.4
131.04887	3.3
131.08572	14.4
133.06496	36.9
133.07468	4.0
133.09116	2.7
133.10129	51.0
135.04361	4.2
135.08046	22.6
135.11652	11.3
137.05978	8.1
137.09598	6.8
137.13188	2.9
139.03893	8.0
139.07530	2.6
141.06960	3.3
142.07730	3.5
143.08571	12.8
145.04898	3.3
145.06508	5.0
145.10136	23.7
147.04399	23.6
147.08044	32.8
147.11623	9.6
149.05981	4.0
149.09636	13.1
151.03897	15.2
151.07605	4.7
151.11145	7.6
153.01837	2.6
155.03342	2.0
155.08559	3.8
156.09319	5.6
157.06517	4.4
157.10156	16.1
159.08044	6.4
159.11690	16.2
161.05992	12.5
161.09613	31.3
161.13271	5.7
163.03880	11.8
163.07509	4.2
163.11206	16.5
165.05466	9.0
165.06885	3.1
165.09128	30.2
166.07732	3.9
167.08545	2.7
169.04984	5.9
169.10066	7.1
171.08025	8.4
171.11725	15.1
173.08110	5.1
173.09659	7.7
173.13225	11.2
175.07529	18.7
175.11136	7.5
175.14825	4.1
177.05421	6.9
179.03331	2.9
179.07042	9.9
179.10658	21.1
181.10097	9.8
183.11681	6.4
185.09596	16.6
185.13266	7.7
187.11185	5.9
189.05489	30.6
189.09105	23.7
189.12691	3.0
191.03392	2.9
191.07057	3.8
191.10670	4.9
193.04965	31.1
193.08601	2.4
193.12209	2.3
195.11722	4.7
197.08069	28.2
197.09698	3.6
197.13255	7.2
199.11192	34.3
199.14801	2.8
201.09065	2.9
201.12758	5.6
203.07013	13.2
203.10600	4.5
203.14279	2.1
205.12251	3.3
205.93097	2.0
207.10162	25.6
209.13275	3.3
211.14726	3.5
213.09140	2.5
213.12843	3.9
213.16350	2.3
215.08940	2.4
217.04967	100.0
217.08391	4.3
217.12245	14.6
219.06509	5.8
219.10146	2.7
219.13789	4.5
221.08083	28.7
223.14783	3.5
225.09019	3.4
225.11218	58.7
227.10754	2.7
227.17938	4.9
235.06006	45.6
235.09634	3.1
237.16367	3.3
239.09113	43.4
241.08673	5.1
245.11792	3.9
249.11211	2.8
251.17964	4.6
253.07060	3.2
255.13666	2.3
255.17366	7.6
257.15421	2.6
259.09601	3.6
259.13382	3.9
263.09158	35.5
267.12286	19.5
267.15945	3.5
268.16302	4.8
269.08136	5.0
269.18964	9.3
273.18457	4.8
279.17456	6.6
287.09128	25.4
287.16537	5.1
287.20074	5.8
295.17102	3.5
297.18475	25.7
305.10190	21.5
313.17902	3.9
315.19559	57.2
323.11185	5.4
329.20770	2.9
331.18915	4.1
333.20511	7.0
351.14459	3.0
357.20590	7.4
369.20560	4.4
375.21912	10.8
397.76596	2.4
405.20615	4.6
413.22818	3.0
423.21695	10.8
441.22717	27.3
459.23773	12.5
475.26859	2.9
476.27148	5.0
549.24579	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	673.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
55.01872	6.7
55.05500	8.6
61.02918	3.8
63.52708	3.7
65.03928	6.0
67.05221	3.6
67.05505	34.1
68.99792	4.8
69.03429	20.3
69.07061	7.6
71.04974	12.3
71.59992	4.6
79.05492	29.2
81.03418	33.7
81.07060	32.7
83.04977	9.9
83.08597	5.0
85.02885	8.8
91.05471	30.1
93.07041	38.3
95.04963	14.6
95.08596	30.0
97.02898	28.0
97.06516	13.9
99.04453	6.0
105.07032	62.1
107.04961	8.0
107.08591	50.7
109.02882	49.5
109.06508	21.2
109.10159	47.9
111.04425	29.1
111.08059	10.1
113.05984	7.5
115.05502	3.0
117.06985	6.4
119.07791	6.3
119.08579	70.1
121.02832	3.7
121.06501	13.3
121.10147	25.5
123.03560	4.7
123.04428	59.4
123.08059	14.3
123.11694	11.5
125.09576	5.5
127.03912	100.0
128.06250	5.0
129.07034	7.1
131.08540	18.1
133.06483	32.0
133.10135	54.3
134.32634	3.5
135.04352	4.9
135.08055	28.7
135.11656	9.5
137.05977	7.0
137.09630	9.4
142.07756	5.4
143.08560	12.9
145.04947	4.6
145.06450	4.4
145.10129	23.8
146.58311	3.3
147.04387	6.2
147.08064	35.8
147.11693	10.2
149.09608	15.9
151.03912	5.0
151.07581	20.3
157.10106	15.8
159.08128	4.6
159.11726	9.7
161.05966	8.5
161.09610	33.2
163.03900	13.2
163.11218	20.8
165.05502	5.4
165.06969	4.1
165.09111	29.8
166.07825	4.6
167.06996	3.6
169.10104	5.9
171.08012	4.7
171.11717	11.0
173.09625	8.6
173.13243	7.4
175.07535	5.4
175.11093	6.9
179.07053	36.2
179.10703	20.2
181.10164	7.9
181.12135	3.7
183.11588	6.2
185.09680	20.4
187.11252	7.0
189.09114	16.9
189.12709	4.9
191.10719	5.2
193.04926	7.8
197.08104	97.1
197.13239	3.8
199.11160	32.0
199.14796	4.2
207.10133	20.9
209.13364	5.0
217.04918	17.3
217.12120	17.5
219.13763	5.1
221.08110	4.1
225.11200	71.8
225.13348	5.1
225.16357	4.0
235.06017	14.6
238.94598	3.3
239.09074	10.3
259.13379	4.2
263.09052	6.5
267.12189	15.8
273.18698	3.5
287.19989	6.8
295.17081	4.4
297.18491	15.5
315.19547	51.5
331.19131	6.0
333.13330	6.3
355.15085	3.5
357.20538	6.1
375.21573	4.8
423.21472	11.1
441.22647	24.9
459.23685	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	673.3061
Annotation	Vateamine 2'beta-N-oxide
Peak:m/z	Relative Intensity
51.26268	0.5
53.03958	0.9
54.43737	0.5
54.50930	0.5
55.01863	1.5
55.05499	2.0
57.03431	2.8
59.04993	0.5
59.51523	0.5
61.02922	3.5
65.03895	0.6
67.05511	5.3
69.03126	0.7
69.03426	6.7
69.07066	2.6
69.54183	3.5
69.54591	0.9
70.06592	0.6
71.01360	0.6
71.04982	2.0
73.02914	3.1
79.05497	3.4
79.49545	0.5
81.03429	3.0
81.06635	0.6
81.07064	6.6
83.01316	0.8
83.04975	1.2
83.08594	1.5
83.58383	0.5
85.02905	62.6
85.06512	0.6
87.04451	1.0
91.03969	3.8
91.05475	8.1
93.07038	9.7
94.21925	0.5
95.00760	0.8
95.01325	11.5
95.04958	1.3
95.08608	14.4
96.08899	0.6
97.02894	15.9
97.06505	1.2
97.92242	0.4
99.00828	1.3
99.04439	2.7
101.02380	1.1
103.03946	2.0
105.07023	11.4
107.04911	0.6
107.08597	10.8
109.02878	5.7
109.06519	3.6
109.10152	6.6
111.04433	3.9
111.08086	1.2
113.02351	2.0
117.06998	3.4
119.04956	0.8
119.08582	35.0
121.06496	1.0
121.10152	6.1
123.08058	1.2
123.11708	1.8
125.06023	1.6
125.09620	1.0
127.03918	19.3
129.06964	0.7
130.07716	0.6
131.03377	1.4
131.08578	5.2
133.06483	1.1
133.10132	13.4
135.08089	3.4
135.11673	2.5
137.09593	1.5
139.07527	0.7
141.01830	39.8
142.07809	0.8
143.08575	3.5
145.04964	37.9
145.10126	9.3
147.04381	2.6
147.08015	1.7
147.11685	6.0
149.05949	0.9
149.09624	1.7
149.13261	0.9
151.07559	0.8
151.11183	0.9
155.08614	1.2
156.09343	0.6
157.10156	4.4
159.02879	8.2
159.07999	0.6
159.11702	8.3
161.09639	1.4
161.13234	3.1
163.06021	18.8
163.07338	0.8
163.11214	1.5
165.09111	1.0
169.10159	2.5
171.11697	4.6
173.09726	1.3
173.13275	4.5
175.11206	0.7
175.14796	0.8
177.03957	2.8
177.05399	0.9
177.09076	1.0
179.03418	1.1
179.10669	1.1
181.10144	1.3
183.11731	3.6
185.09624	0.6
185.13213	3.0
187.11166	2.0
187.14838	2.0
189.09052	0.8
189.16449	1.4
191.10664	1.4
195.11671	1.3
197.13237	3.4
199.11214	2.3
199.14838	3.1
201.12738	1.0
201.16443	3.8
202.16927	0.6
204.08655	1.1
205.12265	1.9
211.11176	0.7
211.14792	1.1
213.12828	0.6
213.16458	0.8
215.10683	0.8
217.12286	1.6
219.13902	1.3
225.11043	1.2
225.16383	0.8
229.12233	2.2
231.13879	0.8
237.16414	0.8
239.14322	1.2
239.17978	1.8
243.13803	2.4
253.19505	3.1
257.15387	1.2
266.06363	0.5
281.18942	4.6
299.20068	28.6
303.07050	0.9
304.19635	0.9
315.19250	0.5
317.21121	100.0
318.21487	1.8
321.08139	4.2
335.22131	0.7
341.68875	0.6
349.19830	1.1
358.23898	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	673.263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12064	0.3
57.07070	0.5
57.40731	0.3
58.92477	0.3
65.77313	0.3
67.05494	0.4
69.07056	0.5
71.08628	0.5
71.58790	0.3
81.07066	0.4
89.06040	1.5
91.05466	0.4
104.60861	0.3
105.06976	0.3
109.10101	0.5
110.55631	0.4
127.78872	0.4
133.08647	0.7
497.19867	1.6
511.18118	0.4
522.16339	0.6
523.17542	6.7
524.18024	1.3
528.21527	0.7
537.18927	0.5
541.18445	11.0
541.26544	0.7
542.18512	0.5
555.20160	1.6
556.20734	2.8
559.23621	1.5
581.21466	1.2
582.21313	0.4
583.22540	0.4
595.19861	1.1
599.22620	3.0
610.22125	0.7
628.24072	0.3
641.23492	0.5
642.24585	5.2
643.25360	0.6
644.23444	0.4
673.26306	100.0
674.26459	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03942	4.6
55.01863	2.1
55.05502	2.8
56.09429	0.8
57.03406	1.0
59.53458	0.8
61.02907	0.8
61.25337	0.7
67.05491	3.3
67.85863	0.7
69.03426	7.2
69.07054	1.9
70.36048	2.5
71.04984	2.3
73.02915	1.0
79.05492	5.5
81.02974	1.4
81.03417	17.1
81.07060	9.6
83.04960	2.1
84.08093	1.0
85.02911	2.6
85.06538	1.0
86.22855	0.8
89.03921	1.7
91.05483	8.1
93.07047	10.0
95.04957	1.9
95.08615	7.2
97.02894	17.7
97.06518	1.1
98.20847	0.9
99.04456	3.6
103.05430	1.1
105.07034	11.7
107.04945	3.0
107.08601	12.7
109.02882	100.0
109.06517	5.9
109.10133	3.8
110.03188	1.0
111.04450	2.4
111.08082	5.3
113.05956	0.8
115.03925	1.1
115.37012	0.8
115.66682	0.7
117.03369	1.1
117.07037	1.6
118.86995	0.8
119.04948	1.3
119.08585	29.6
121.06554	3.8
121.10141	11.8
123.04439	1.6
123.08070	10.1
123.11723	3.9
125.06024	1.1
125.09632	68.3
126.09965	1.4
127.03918	61.3
128.04207	1.2
129.06975	0.7
131.04922	2.3
131.08568	2.0
133.06467	2.4
133.10129	24.9
134.10486	1.1
135.04411	2.9
135.08003	1.4
135.11700	3.1
137.05974	2.6
137.09573	4.2
143.08560	5.8
145.02824	2.1
145.04968	7.3
145.06096	0.9
145.06465	0.8
145.10127	2.0
146.07272	0.9
147.04378	2.3
147.08029	11.8
147.11723	1.2
149.09647	1.4
151.07524	2.2
151.11160	3.1
154.12340	0.8
157.10075	1.0
159.11710	0.9
161.05951	1.0
161.09608	17.1
163.03922	9.4
163.07539	2.7
163.11159	3.1
165.07765	1.4
165.09117	19.1
167.07066	4.0
173.09634	1.1
173.13283	1.3
175.11177	1.2
177.05460	1.8
179.07103	1.0
179.10680	14.8
179.72365	1.0
181.04974	1.9
183.11589	0.8
189.09113	13.5
207.10173	20.9
225.11220	39.1
237.11128	1.1
243.17461	1.0
245.08260	0.8
267.12271	3.2
269.15155	0.8
271.16919	1.6
285.18552	2.1
289.18024	2.6
295.16733	1.2
303.19431	1.5
313.17886	2.0
315.12320	2.6
331.19037	12.3
333.13428	4.5
349.20068	13.3
351.14435	10.2
391.21155	5.6
406.59305	1.0
421.22202	1.8
423.56552	0.9
457.22260	17.0
475.23251	13.0
493.23889	1.6
575.81921	0.9
685.21777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60297	0.3
55.01849	0.7
55.05494	0.3
57.03429	0.4
61.02926	4.5
65.03962	0.4
67.05497	0.6
68.99787	0.7
69.03439	1.3
71.05003	0.4
71.59171	0.4
73.02915	1.2
73.84599	0.2
74.06075	1.7
74.09712	0.5
78.04702	0.4
79.05496	1.2
81.03404	0.9
81.07032	0.7
81.91832	0.3
84.44440	0.3
85.02905	4.1
86.09711	0.5
89.03912	0.4
91.03966	1.6
91.05473	2.5
93.07046	1.2
95.04964	1.0
95.08613	0.7
97.02888	3.1
99.04433	0.4
102.04677	0.5
103.05464	2.4
104.06277	1.6
105.03395	0.3
105.07030	4.1
106.04179	0.4
107.04973	1.7
107.08601	1.2
109.02876	2.8
109.06533	0.6
109.10150	0.6
111.00771	0.3
111.08088	0.3
115.05451	1.5
117.03362	0.9
118.04173	0.8
119.04932	0.9
119.08561	1.3
121.02876	0.5
121.06505	1.3
121.10143	1.0
123.04426	1.0
123.08048	0.4
125.09595	1.4
127.03934	2.7
130.04156	0.9
131.04926	8.2
132.05704	8.4
133.02864	1.1
133.06522	2.9
133.10132	1.0
135.04446	1.5
137.02356	0.5
137.05995	1.3
139.03969	0.3
140.04668	1.3
143.04918	0.4
143.05963	0.3
145.02866	1.2
145.04939	0.8
145.10161	0.3
146.03632	2.0
147.04388	1.6
147.08029	0.8
148.05246	0.5
149.05981	2.1
149.09615	0.4
151.03876	0.7
151.07585	0.5
153.01836	4.6
153.03017	0.5
153.05492	0.3
154.06387	0.6
155.04849	0.3
155.07036	0.4
159.04417	0.4
160.05217	3.5
161.05983	9.0
161.09634	0.7
162.06754	1.8
163.03896	5.3
163.07550	0.6
164.04256	0.3
165.01820	0.5
165.05470	0.5
165.06862	0.4
165.09126	0.8
166.06242	0.6
167.07048	4.9
176.04660	0.5
177.05473	4.9
178.06241	2.0
179.03441	1.6
179.07005	1.0
180.06438	0.2
180.07721	1.4
181.05017	0.3
181.08630	0.8
182.09383	0.9
183.04433	0.5
187.03885	0.4
189.05540	0.9
189.09125	0.4
191.07088	1.8
192.07819	9.4
193.08507	0.9
196.07095	0.3
199.04022	0.4
201.05499	0.8
203.03404	0.5
207.06561	0.8
207.10208	0.7
209.08098	0.7
210.08807	0.6
217.04967	6.9
217.07045	0.5
223.10405	0.3
225.11275	1.1
228.04201	0.3
229.04961	1.9
231.02956	0.4
237.05424	0.7
241.05092	0.3
245.04431	6.0
246.05026	0.4
249.05760	0.4
255.06635	0.3
257.04428	1.4
258.05286	0.4
265.05109	0.4
266.05478	0.4
268.07315	0.5
269.04453	0.7
273.03934	11.6
274.04449	0.5
279.06610	0.4
281.04623	0.4
283.06122	0.6
285.03925	3.4
286.04691	0.4
287.05444	0.5
294.05319	0.4
299.05496	0.4
301.03424	8.0
302.04105	2.2
303.04913	2.6
307.06058	0.5
309.07498	0.3
311.05469	1.5
313.03311	2.0
323.05655	0.3
327.04990	5.9
335.05490	0.4
339.04965	3.4
345.07632	0.5
357.06042	4.0
373.07269	0.5
401.06638	0.9
415.08295	0.5
418.06903	1.0
428.65463	0.3
429.06198	0.9
433.09259	0.8
443.07675	0.8
446.06320	1.0
457.22125	0.5
461.08725	9.1
462.09406	0.5
475.23334	0.4
479.30341	0.3
481.11563	1.2
493.11420	3.7
511.12375	100.0
512.12659	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	673.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60297	0.3
55.01849	0.7
55.05494	0.3
57.03429	0.4
61.02926	4.5
65.03962	0.4
67.05497	0.6
68.99787	0.7
69.03439	1.3
71.05003	0.4
71.59171	0.4
73.02915	1.2
73.84599	0.2
74.06075	1.7
74.09712	0.5
78.04702	0.4
79.05496	1.2
81.03404	0.9
81.07032	0.7
81.91832	0.3
84.44440	0.3
85.02905	4.1
86.09711	0.5
89.03912	0.4
91.03966	1.6
91.05473	2.5
93.07046	1.2
95.04964	1.0
95.08613	0.7
97.02888	3.1
99.04433	0.4
102.04677	0.5
103.05464	2.4
104.06277	1.6
105.03395	0.3
105.07030	4.1
106.04179	0.4
107.04973	1.7
107.08601	1.2
109.02876	2.8
109.06533	0.6
109.10150	0.6
111.00771	0.3
111.08088	0.3
115.05451	1.5
117.03362	0.9
118.04173	0.8
119.04932	0.9
119.08561	1.3
121.02876	0.5
121.06505	1.3
121.10143	1.0
123.04426	1.0
123.08048	0.4
125.09595	1.4
127.03934	2.7
130.04156	0.9
131.04926	8.2
132.05704	8.4
133.02864	1.1
133.06522	2.9
133.10132	1.0
135.04446	1.5
137.02356	0.5
137.05995	1.3
139.03969	0.3
140.04668	1.3
143.04918	0.4
143.05963	0.3
145.02866	1.2
145.04939	0.8
145.10161	0.3
146.03632	2.0
147.04388	1.6
147.08029	0.8
148.05246	0.5
149.05981	2.1
149.09615	0.4
151.03876	0.7
151.07585	0.5
153.01836	4.6
153.03017	0.5
153.05492	0.3
154.06387	0.6
155.04849	0.3
155.07036	0.4
159.04417	0.4
160.05217	3.5
161.05983	9.0
161.09634	0.7
162.06754	1.8
163.03896	5.3
163.07550	0.6
164.04256	0.3
165.01820	0.5
165.05470	0.5
165.06862	0.4
165.09126	0.8
166.06242	0.6
167.07048	4.9
176.04660	0.5
177.05473	4.9
178.06241	2.0
179.03441	1.6
179.07005	1.0
180.06438	0.2
180.07721	1.4
181.05017	0.3
181.08630	0.8
182.09383	0.9
183.04433	0.5
187.03885	0.4
189.05540	0.9
189.09125	0.4
191.07088	1.8
192.07819	9.4
193.08507	0.9
196.07095	0.3
199.04022	0.4
201.05499	0.8
203.03404	0.5
207.06561	0.8
207.10208	0.7
209.08098	0.7
210.08807	0.6
217.04967	6.9
217.07045	0.5
223.10405	0.3
225.11275	1.1
228.04201	0.3
229.04961	1.9
231.02956	0.4
237.05424	0.7
241.05092	0.3
245.04431	6.0
246.05026	0.4
249.05760	0.4
255.06635	0.3
257.04428	1.4
258.05286	0.4
265.05109	0.4
266.05478	0.4
268.07315	0.5
269.04453	0.7
273.03934	11.6
274.04449	0.5
279.06610	0.4
281.04623	0.4
283.06122	0.6
285.03925	3.4
286.04691	0.4
287.05444	0.5
294.05319	0.4
299.05496	0.4
301.03424	8.0
302.04105	2.2
303.04913	2.6
307.06058	0.5
309.07498	0.3
311.05469	1.5
313.03311	2.0
323.05655	0.3
327.04990	5.9
335.05490	0.4
339.04965	3.4
345.07632	0.5
357.06042	4.0
373.07269	0.5
401.06638	0.9
415.08295	0.5
418.06903	1.0
428.65463	0.3
429.06198	0.9
433.09259	0.8
443.07675	0.8
446.06320	1.0
457.22125	0.5
461.08725	9.1
462.09406	0.5
475.23334	0.4
479.30341	0.3
481.11563	1.2
493.11420	3.7
511.12375	100.0
512.12659	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	672.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77640	0.5
52.90251	0.6
53.03937	0.7
55.05512	4.1
57.03436	4.4
57.07076	31.5
61.02925	13.2
65.03896	0.6
67.05507	9.3
69.03423	1.7
69.07061	8.0
71.04962	0.9
71.08630	27.4
71.57700	1.4
73.02922	5.1
75.04465	2.0
79.05492	1.8
81.03401	2.5
81.07055	15.6
83.08613	11.1
85.02904	16.6
85.06537	1.2
85.10181	14.3
89.06033	0.6
91.03955	13.2
91.05456	1.1
91.91480	0.6
93.07030	1.4
95.04969	1.5
95.08603	22.4
97.02894	8.0
97.10159	6.6
99.04422	1.2
99.11723	1.5
105.07011	1.7
107.04881	0.8
107.08598	1.7
109.10155	10.4
111.11710	1.2
115.03946	0.6
119.08602	0.8
121.10156	1.0
123.11700	4.7
125.13287	1.4
127.03909	6.3
137.13234	2.5
145.04961	8.6
145.06032	1.0
147.11635	0.9
149.65518	0.6
150.77965	0.6
151.14839	0.9
157.10092	0.8
163.06006	13.7
170.06250	0.6
184.07350	1.6
214.43150	0.8
239.23705	21.1
257.24832	3.9
267.09091	1.3
285.10159	1.9
298.27448	1.5
313.27356	100.0
314.27673	2.9
324.11285	1.5
331.28421	55.1
332.28775	1.6
411.61893	0.8
463.22803	0.7
463.72604	0.8
469.65143	0.8
475.32745	0.8
549.99341	0.6
640.27838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
55.05513	4.3
57.03438	4.1
57.07076	33.3
61.02930	12.9
65.15841	0.5
67.05509	8.3
69.03421	1.5
69.07072	7.5
69.85950	2.9
71.04955	0.6
71.08633	28.5
73.02923	4.3
75.04475	1.9
79.05502	1.4
81.07062	15.0
81.82948	0.5
83.04945	0.6
83.08146	0.7
83.08622	10.8
85.02905	15.3
85.06553	0.6
85.10184	18.3
89.06038	1.1
91.03411	0.7
91.03962	13.3
93.07024	1.1
95.08606	23.5
97.02891	6.6
97.10163	5.8
99.04474	0.8
99.11713	1.3
99.14130	0.6
101.02423	0.7
103.03987	0.6
103.07584	0.9
107.08701	0.5
108.81490	0.6
109.02825	0.6
109.09467	0.9
109.10161	12.0
111.11720	1.1
115.03938	0.8
117.95567	0.5
121.10063	0.5
123.11726	5.5
125.13276	1.3
127.03911	5.0
129.47920	0.5
137.13251	2.1
145.04964	6.6
151.14763	0.8
163.06017	10.1
221.22656	1.2
239.23706	21.6
257.24759	3.8
303.11429	0.7
313.27374	100.0
314.27689	3.9
331.28424	36.6
332.28592	1.4
399.37589	0.6
401.29260	0.6
442.22238	0.7
475.32675	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	672.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01872	2.0
55.05512	5.8
57.03441	3.4
57.07092	0.7
57.53199	0.7
58.41144	0.6
65.03947	1.1
67.05507	15.4
68.80602	0.7
69.03429	8.4
69.07074	5.8
71.05000	4.4
71.59712	1.2
79.05059	0.9
79.05499	12.7
81.03419	5.3
81.07063	25.1
83.04989	5.7
83.08618	5.6
85.02902	4.6
85.06548	2.7
87.04459	2.2
91.04960	1.5
91.05488	17.2
93.07051	15.0
95.04988	5.5
95.08615	24.7
97.02900	100.0
97.06534	9.5
97.10167	2.4
98.03244	0.9
99.04459	2.4
99.08097	1.9
103.05466	1.1
105.07040	14.6
105.07747	0.7
107.04964	2.5
107.08600	8.0
109.02882	3.9
109.06527	5.3
109.10159	6.4
111.04465	5.2
111.08080	2.5
115.03932	11.9
115.05422	1.2
117.07011	6.2
119.04950	2.7
119.08594	15.7
121.06534	5.6
121.10149	4.6
123.04453	3.3
123.08095	3.9
123.11698	1.0
125.05987	3.5
125.09628	4.6
127.03963	4.0
129.07005	3.5
131.04910	1.3
131.08566	7.5
133.06519	3.8
133.10136	9.8
135.08072	2.7
135.11700	4.5
137.06044	2.6
137.09653	2.0
137.13225	1.5
139.07581	3.1
139.35432	0.7
141.07013	2.3
141.08989	1.1
143.08539	3.7
145.06529	3.3
145.10117	5.3
147.04417	10.8
147.08069	4.5
147.11728	2.2
149.05988	2.1
149.09631	1.8
149.13246	1.1
151.07571	3.3
155.08549	3.1
157.10129	2.6
159.08073	3.1
159.11696	5.5
161.05981	1.0
161.09663	3.2
161.13268	9.5
163.07567	5.0
163.11279	1.0
165.05513	1.9
165.09105	3.6
167.07040	0.8
169.10152	2.6
171.11781	1.5
173.09578	1.2
173.11842	1.4
173.13243	1.2
175.07578	1.5
175.11147	0.9
177.09178	3.2
177.12720	1.4
179.03429	0.8
179.10741	1.2
179.14349	7.3
181.08635	1.4
183.11742	2.1
187.14828	0.8
189.05505	1.6
189.09171	1.3
191.10652	1.2
193.05002	1.4
193.12216	1.0
195.13873	2.4
197.13297	1.0
197.15340	1.8
199.11230	1.1
199.14867	2.8
201.09161	1.4
207.13795	1.2
209.15378	1.5
211.14946	1.8
213.13010	1.4
213.14847	6.1
215.14308	0.8
217.04942	3.6
218.05385	2.0
221.15286	1.2
225.11293	2.3
225.14821	4.7
227.14473	0.9
229.12309	0.8
229.15855	1.4
235.06052	2.4
235.16949	0.7
236.06331	1.3
237.14926	3.3
239.14265	2.2
245.15364	3.4
247.16931	1.4
249.14841	1.0
254.46490	0.7
255.15869	1.1
257.15399	9.9
263.09152	1.2
263.16443	10.7
263.19009	1.2
267.12274	1.6
275.16434	18.6
281.17517	17.2
287.09235	0.8
290.24191	0.7
293.17490	33.9
305.10428	0.9
311.18546	75.4
329.19577	29.4
392.21625	1.4
473.23840	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00583	0.2
53.03944	0.4
54.23492	0.2
55.01870	0.6
55.05510	1.2
57.03436	0.2
57.32735	0.2
58.23231	0.2
61.82321	0.2
63.02367	0.5
67.05512	2.2
69.03429	1.9
69.07077	1.1
70.98808	0.4
71.04992	0.6
79.05490	2.0
81.03431	2.5
81.07063	3.9
83.04983	1.2
83.08620	0.7
85.02915	0.9
85.06536	0.5
87.00810	0.3
87.04525	0.3
89.03915	3.4
91.05480	2.3
93.07046	2.1
95.04980	1.2
95.08608	3.6
97.02908	1.7
97.06561	1.1
97.10192	0.2
99.04453	0.6
101.06064	0.4
103.05454	0.3
105.07034	2.4
107.04939	0.7
107.08620	1.3
109.02888	2.0
109.06525	0.6
109.10169	1.1
111.04454	0.6
111.08076	0.5
117.03384	11.3
117.07024	0.5
117.72925	0.2
119.08591	2.3
121.06496	0.6
121.10151	1.4
123.04460	0.2
123.08056	0.8
123.11675	0.4
125.02376	0.5
125.09641	0.9
127.03932	2.5
129.06950	0.2
131.08557	0.9
133.06485	0.6
133.10129	1.6
134.03647	1.0
135.04451	1.2
135.08102	0.4
135.11703	0.9
137.05998	0.7
137.13269	0.4
145.02850	37.5
145.10077	0.6
146.03172	0.5
147.04404	1.8
147.08073	0.3
147.11707	0.5
149.02351	0.2
149.05992	4.7
149.09671	0.5
151.07535	0.7
151.11215	0.3
157.10117	0.4
158.06039	0.4
159.11588	0.3
161.05907	0.4
161.09602	0.4
161.13271	2.0
163.03900	1.0
163.07611	0.4
163.11217	0.4
165.09154	0.6
167.07043	0.4
171.08083	0.2
173.09628	0.4
175.11189	0.3
177.05473	100.0
178.05791	1.2
179.07014	0.3
179.10820	0.3
179.14366	1.5
183.61011	0.2
185.13303	0.3
186.05524	1.9
189.05479	0.4
189.09134	0.4
189.12776	0.3
191.07063	0.3
193.12161	0.4
195.06509	1.5
197.15302	0.4
199.68182	0.2
201.09100	0.4
206.93820	0.3
207.10173	0.4
215.07002	0.3
223.14886	0.3
225.11253	0.8
231.06596	0.3
259.09680	0.5
285.07617	0.7
287.16586	0.5
295.11746	0.8
303.08566	0.5
305.17365	0.9
313.12772	0.7
323.18646	2.1
331.18695	0.3
341.19632	0.6
477.28418	0.6
535.25128	0.6
548.19592	0.3
591.68121	0.3
671.25922	0.7
685.04315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01875	3.5
55.05505	6.9
57.03425	4.1
65.03928	4.7
67.05503	14.0
68.99786	3.5
69.03424	17.3
69.07075	7.2
70.19717	2.4
70.52247	8.1
70.52594	4.8
71.01331	3.7
71.05002	13.4
79.05489	13.2
81.03415	18.0
81.07058	12.9
83.04972	7.5
83.08626	9.8
85.02912	10.0
86.26580	2.5
89.03947	2.8
91.05469	24.1
93.07055	22.3
95.04980	8.6
95.08626	15.0
97.02901	35.9
98.06030	2.7
99.04471	8.2
105.07034	100.0
107.04974	7.0
107.08596	45.2
108.08920	2.9
109.02885	31.9
109.06521	7.4
109.10164	8.1
111.00801	4.2
111.04451	12.3
111.08077	7.6
112.88367	2.8
115.05448	7.9
115.69059	2.6
117.07023	10.3
119.04980	3.4
119.08584	52.4
121.06506	6.0
121.10155	7.0
123.04432	9.4
123.08059	6.9
123.11692	6.2
125.09645	5.8
127.03925	50.4
128.06245	6.5
129.07024	17.2
129.09077	3.5
131.08585	7.9
133.02859	4.2
133.06520	16.8
133.10135	31.3
135.08112	3.4
135.11714	4.9
137.06017	4.7
137.09601	5.4
139.03900	22.5
141.06987	5.4
141.57564	2.8
143.08586	13.0
145.04951	4.8
145.06487	9.5
145.10117	12.3
147.04414	18.7
147.08037	25.1
147.11623	2.8
147.47546	2.8
149.05971	5.3
151.03932	8.9
151.07556	8.0
151.11232	6.2
153.01843	4.1
153.06924	3.8
154.07835	6.9
155.07176	3.2
155.08539	5.4
157.06529	3.4
157.10100	5.4
159.08083	8.1
159.11700	8.1
161.05986	12.4
161.09668	22.8
163.03917	12.0
163.11172	4.9
165.05499	6.3
165.09084	21.8
166.09618	3.4
167.07083	3.8
167.08553	3.9
169.04970	4.8
169.10176	18.3
171.08109	4.4
171.11723	4.7
172.95734	2.6
173.09593	6.8
173.13220	2.7
175.07585	8.3
177.05479	9.8
179.03419	22.3
179.07083	19.3
179.08467	4.7
179.10683	19.9
181.09979	2.7
185.09601	5.3
189.05457	13.4
189.09088	19.0
191.07036	11.0
193.04968	78.0
193.10132	3.1
194.05301	40.8
195.05507	17.0
197.08061	10.0
197.09639	28.8
203.07050	8.8
207.10211	30.8
209.08084	11.5
215.10696	11.2
217.05003	33.4
221.08072	17.4
225.11223	51.0
226.11577	5.0
235.06003	20.8
235.09538	3.4
239.09113	20.5
241.08617	3.9
249.11336	3.6
253.15923	4.0
259.09732	4.8
263.09152	22.9
267.12396	6.0
267.17584	3.6
287.09167	10.2
295.16614	4.0
295.67355	2.9
301.18332	2.9
305.10211	12.7
313.17987	15.6
323.11511	4.8
331.19229	3.9
349.20166	3.4
377.11975	3.1
407.79993	3.1
421.20001	8.9
439.20889	3.7
441.15506	2.8
451.19446	8.0
475.22736	5.5
494.14352	3.2
547.21997	3.5
671.28522	9.5
672.26569	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	671.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.8
51.02384	0.7
53.03943	5.1
55.01871	3.1
55.05511	4.0
56.14437	0.9
57.03442	2.0
57.07082	0.9
65.03929	0.8
67.05498	5.4
69.03430	9.9
69.07084	2.7
71.05006	3.6
71.31754	1.3
71.32086	1.4
73.02916	1.6
79.05499	5.5
81.03422	20.9
81.07065	8.4
83.01337	2.0
83.04974	2.2
83.08648	1.3
85.02894	2.6
85.06553	0.8
91.05484	10.9
93.07048	11.8
95.04982	4.2
95.08615	9.3
97.02904	20.9
97.06524	2.0
97.10168	1.7
97.64536	0.8
99.04464	5.0
103.05478	1.1
105.03389	1.2
105.07040	15.7
107.04962	2.7
107.08600	15.0
109.02885	100.0
109.06537	7.5
109.10151	5.4
110.03216	2.6
111.04440	5.0
111.08096	6.5
113.06020	1.9
115.05402	1.1
117.07036	3.5
119.04958	2.0
119.08585	32.4
119.42198	0.8
121.06525	4.1
121.10161	10.3
123.04436	11.0
123.08074	10.2
123.11707	3.1
125.02421	0.9
125.06017	1.0
125.09637	56.0
127.03922	97.5
128.04288	2.6
128.06219	2.1
129.06966	1.0
131.08531	3.9
133.02863	6.7
133.06480	3.4
133.10132	27.4
134.10515	1.3
135.04430	2.5
135.08087	3.8
135.11700	3.9
136.37831	0.7
137.05940	1.2
137.09605	3.5
139.03920	3.3
143.08566	6.0
145.04987	7.3
145.06512	1.8
145.10121	5.2
147.04408	3.7
147.08049	13.6
147.09193	0.8
147.11665	2.6
149.09608	2.1
149.13280	0.9
151.03920	3.3
151.07564	4.0
151.11182	3.1
155.08525	1.2
156.09325	1.0
157.10088	3.7
159.08049	2.4
159.11710	2.6
161.05991	3.2
161.08296	1.2
161.09625	19.3
161.83380	0.8
163.07574	2.1
163.11194	2.3
165.09132	18.5
166.09538	1.0
167.07045	0.9
169.10194	1.6
171.08176	1.5
171.11707	2.3
173.09596	2.2
173.13239	1.2
175.11197	1.9
177.05569	1.0
177.09099	1.6
179.03406	75.1
179.06929	6.9
179.10658	14.4
180.03760	0.9
181.08618	1.8
183.11728	1.7
185.09560	1.4
185.13251	2.1
187.11133	1.9
187.14844	2.0
189.09119	15.5
189.12756	1.2
191.10800	1.3
193.04950	1.1
193.08522	0.9
197.13266	1.1
199.11079	1.0
201.09093	1.3
201.12631	1.2
203.10735	1.0
205.08655	1.2
205.12181	1.6
207.10155	21.4
207.12039	1.2
208.10526	0.9
211.11209	1.3
211.14751	1.1
213.12573	0.9
215.10677	1.9
217.05026	0.9
217.12302	1.0
225.11223	39.0
225.16142	1.5
226.11588	1.4
229.15871	1.5
243.13902	1.1
247.13274	0.9
253.15939	2.1
257.19141	0.9
267.12268	7.1
267.17590	1.1
271.16840	2.6
285.18552	5.1
289.17886	1.8
295.16901	2.0
297.10968	1.0
303.12189	0.9
303.19421	2.8
313.18036	8.3
314.18289	1.3
315.12247	1.9
315.19431	0.9
321.13260	2.0
331.19012	15.3
333.13339	4.0
349.20093	13.1
350.97253	0.7
351.14325	6.2
373.20001	1.2
391.21252	10.8
421.21844	2.5
429.22620	1.0
439.20935	3.3
457.22238	15.4
458.22461	2.3
459.27579	1.9
475.23331	11.0
476.23645	1.8
477.28534	1.2
505.34543	0.9
671.25989	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.8
51.02384	0.7
53.03943	5.1
55.01871	3.1
55.05511	4.0
56.14437	0.9
57.03442	2.0
57.07082	0.9
65.03929	0.8
67.05498	5.4
69.03430	9.9
69.07084	2.7
71.05006	3.6
71.31754	1.3
71.32086	1.4
73.02916	1.6
79.05499	5.5
81.03422	20.9
81.07065	8.4
83.01337	2.0
83.04974	2.2
83.08648	1.3
85.02894	2.6
85.06553	0.8
91.05484	10.9
93.07048	11.8
95.04982	4.2
95.08615	9.3
97.02904	20.9
97.06524	2.0
97.10168	1.7
97.64536	0.8
99.04464	5.0
103.05478	1.1
105.03389	1.2
105.07040	15.7
107.04962	2.7
107.08600	15.0
109.02885	100.0
109.06537	7.5
109.10151	5.4
110.03216	2.6
111.04440	5.0
111.08096	6.5
113.06020	1.9
115.05402	1.1
117.07036	3.5
119.04958	2.0
119.08585	32.4
119.42198	0.8
121.06525	4.1
121.10161	10.3
123.04436	11.0
123.08074	10.2
123.11707	3.1
125.02421	0.9
125.06017	1.0
125.09637	56.0
127.03922	97.5
128.04288	2.6
128.06219	2.1
129.06966	1.0
131.08531	3.9
133.02863	6.7
133.06480	3.4
133.10132	27.4
134.10515	1.3
135.04430	2.5
135.08087	3.8
135.11700	3.9
136.37831	0.7
137.05940	1.2
137.09605	3.5
139.03920	3.3
143.08566	6.0
145.04987	7.3
145.06512	1.8
145.10121	5.2
147.04408	3.7
147.08049	13.6
147.09193	0.8
147.11665	2.6
149.09608	2.1
149.13280	0.9
151.03920	3.3
151.07564	4.0
151.11182	3.1
155.08525	1.2
156.09325	1.0
157.10088	3.7
159.08049	2.4
159.11710	2.6
161.05991	3.2
161.08296	1.2
161.09625	19.3
161.83380	0.8
163.07574	2.1
163.11194	2.3
165.09132	18.5
166.09538	1.0
167.07045	0.9
169.10194	1.6
171.08176	1.5
171.11707	2.3
173.09596	2.2
173.13239	1.2
175.11197	1.9
177.05569	1.0
177.09099	1.6
179.03406	75.1
179.06929	6.9
179.10658	14.4
180.03760	0.9
181.08618	1.8
183.11728	1.7
185.09560	1.4
185.13251	2.1
187.11133	1.9
187.14844	2.0
189.09119	15.5
189.12756	1.2
191.10800	1.3
193.04950	1.1
193.08522	0.9
197.13266	1.1
199.11079	1.0
201.09093	1.3
201.12631	1.2
203.10735	1.0
205.08655	1.2
205.12181	1.6
207.10155	21.4
207.12039	1.2
208.10526	0.9
211.11209	1.3
211.14751	1.1
213.12573	0.9
215.10677	1.9
217.05026	0.9
217.12302	1.0
225.11223	39.0
225.16142	1.5
226.11588	1.4
229.15871	1.5
243.13902	1.1
247.13274	0.9
253.15939	2.1
257.19141	0.9
267.12268	7.1
267.17590	1.1
271.16840	2.6
285.18552	5.1
289.17886	1.8
295.16901	2.0
297.10968	1.0
303.12189	0.9
303.19421	2.8
313.18036	8.3
314.18289	1.3
315.12247	1.9
315.19431	0.9
321.13260	2.0
331.19012	15.3
333.13339	4.0
349.20093	13.1
350.97253	0.7
351.14325	6.2
373.20001	1.2
391.21252	10.8
421.21844	2.5
429.22620	1.0
439.20935	3.3
457.22238	15.4
458.22461	2.3
459.27579	1.9
475.23331	11.0
476.23645	1.8
477.28534	1.2
505.34543	0.9
671.25989	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01866	0.7
55.05511	2.4
57.03432	1.1
57.07070	4.3
57.49493	0.2
59.04987	0.6
61.02899	0.5
65.03930	0.5
66.07195	0.2
67.05125	0.3
67.05499	7.9
69.03428	3.7
69.07064	14.5
70.06603	0.4
71.04981	0.7
71.08624	1.2
71.59308	0.3
73.02921	0.4
79.05488	6.8
81.03415	2.7
81.07052	100.0
82.07391	0.7
83.01305	0.3
83.04997	0.4
83.08619	1.4
85.02898	9.8
87.00822	4.8
91.05476	1.6
93.07037	11.7
95.04947	1.1
95.08601	51.0
96.08936	0.4
97.02886	6.7
97.06514	1.0
98.98458	5.8
99.04456	1.3
103.03921	0.4
103.05421	0.4
105.01854	6.2
105.07040	1.0
107.04925	0.3
107.07864	0.5
107.08589	8.8
109.02872	4.6
109.06489	0.3
109.10146	7.3
111.08062	0.3
115.03903	0.7
115.07555	0.2
117.07063	0.2
119.08565	0.7
121.06480	0.4
121.10156	0.8
123.11709	1.5
125.13261	0.5
127.02958	0.6
127.03906	9.2
129.01784	0.4
131.04919	1.4
133.10158	0.4
135.04385	0.2
135.11685	23.7
137.05945	0.4
137.13248	61.7
138.13605	0.7
141.17265	0.2
145.04956	2.5
145.06094	0.3
145.06311	0.2
145.10124	0.3
149.13368	0.2
153.12740	21.3
155.14264	0.3
157.10150	0.3
159.02893	1.0
159.11771	0.3
161.04454	0.4
163.03897	0.7
167.07018	0.6
171.13788	11.2
177.05397	0.3
179.05434	0.2
189.03925	0.3
189.14844	3.9
213.03914	2.1
231.05020	2.1
235.10942	9.5
243.13773	0.3
247.04463	0.3
249.06023	1.0
261.14832	0.4
301.76254	0.2
311.01486	1.4
343.12918	0.3
347.15027	0.4
365.15845	0.3
383.17194	0.3
491.22357	0.3
702.21954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57445	0.3
53.03943	1.1
55.01874	1.0
55.05503	2.5
57.03435	0.6
57.06813	0.5
57.07076	4.5
59.04997	0.3
61.02924	0.6
65.03922	0.5
66.70971	0.3
67.05502	7.8
67.28979	0.3
69.03433	3.3
69.07062	13.5
70.06591	1.6
70.78518	0.7
71.04972	1.1
71.08628	1.0
72.08147	0.3
73.02889	0.5
79.05487	6.1
81.03414	2.6
81.07052	100.0
82.07374	1.1
83.04993	0.7
83.08610	1.3
84.04483	0.4
85.02900	7.6
86.09707	1.0
87.00828	3.8
91.05486	2.2
93.07037	10.5
95.04967	1.3
95.08603	48.9
96.08942	0.6
97.02888	5.1
97.06501	1.1
98.98442	3.9
99.04451	1.6
103.05469	3.4
105.01859	6.5
105.07031	1.3
107.04942	0.7
107.08594	6.5
109.02878	3.7
109.06480	0.5
109.10153	7.3
111.04430	0.5
111.08109	0.6
115.03934	0.7
119.04977	0.4
119.08595	0.9
121.06461	0.4
121.10138	0.7
123.11697	1.2
125.02318	0.8
127.03905	7.1
127.08659	0.4
131.04926	13.8
131.08569	0.9
132.05316	0.5
133.06479	0.3
133.10141	0.9
135.04404	0.3
135.11687	19.6
137.05949	0.4
137.13249	59.9
138.13577	1.1
139.03822	0.3
145.04971	1.9
145.10107	0.6
147.04367	0.8
147.11684	0.7
149.05988	0.9
151.07584	0.5
153.12738	17.3
159.02927	0.7
159.11777	0.4
163.03915	1.3
163.07492	0.4
165.12714	0.4
167.07112	2.2
171.13795	9.4
185.04472	1.1
189.14864	2.9
213.03905	1.3
215.13991	0.5
231.04970	2.3
235.10941	7.9
237.11481	0.4
243.17157	0.5
249.05971	1.1
261.14948	0.6
289.05450	0.4
300.14951	0.3
308.96848	0.3
311.01535	1.3
329.07166	0.3
330.69690	0.4
354.22479	0.3
383.17041	0.5
385.12476	0.4
478.18817	0.4
569.18103	0.4
657.98480	0.4
658.10236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01867	1.6
55.05511	1.4
57.03432	1.3
67.05501	4.2
69.03426	9.3
69.07076	1.3
71.01316	0.6
71.04987	2.5
73.02934	0.9
77.03941	0.6
79.05486	4.2
81.03413	22.0
81.07052	9.1
83.01323	0.8
83.04979	2.0
85.02906	2.5
90.44770	0.6
91.05472	9.8
92.14147	0.6
93.07034	12.6
95.04971	2.9
95.08604	6.4
97.02888	18.4
97.06499	0.8
98.20711	1.4
99.04459	3.4
101.33594	0.6
103.05466	1.2
105.07024	15.8
107.04951	2.1
107.08591	16.4
109.02876	100.0
109.06516	6.9
109.10144	3.4
110.03179	1.3
110.14233	0.6
111.04416	2.9
111.08067	5.3
112.11199	0.7
113.05983	0.9
115.03974	0.8
117.03349	0.6
117.07010	2.0
119.04946	1.6
119.08577	35.7
121.06502	3.3
121.10147	11.6
123.04455	3.6
123.08059	9.8
123.11714	4.1
124.08849	1.0
125.09625	78.2
126.09964	1.0
127.03909	70.9
128.04198	1.0
128.06200	2.0
129.06943	1.4
129.13858	0.8
131.04904	1.2
131.08575	2.2
133.02899	2.8
133.06470	1.9
133.10123	30.2
135.04398	1.5
135.08063	2.1
135.11673	3.3
137.05988	1.3
137.09624	5.1
139.07486	1.0
143.08554	6.5
145.02844	1.9
145.04962	9.1
145.06253	1.2
145.10115	3.0
146.07260	0.8
147.04402	4.6
147.06924	1.1
147.08043	19.0
147.11699	0.7
151.03911	2.2
151.07541	2.2
151.11148	3.6
157.10124	1.1
159.11652	1.3
161.06003	0.8
161.09605	21.9
163.03847	1.0
163.07523	1.2
163.11169	2.5
165.09108	24.2
171.08020	1.0
173.09641	1.3
173.13171	1.3
177.05405	3.0
177.09106	1.1
179.03387	32.7
179.10664	17.8
185.09631	0.7
185.13307	0.8
187.11092	0.7
187.14824	0.7
189.09106	20.2
195.06552	1.9
199.11234	0.8
203.10635	0.9
204.10155	2.1
207.10159	25.9
213.12654	0.6
215.14220	0.7
219.13562	0.6
225.11208	56.0
226.11476	0.8
229.12239	0.8
229.15936	1.0
233.11760	1.1
233.15352	0.7
234.11246	1.9
249.11198	1.2
253.16032	1.1
257.07965	0.6
267.12308	6.0
267.17450	0.9
271.16827	2.2
275.17316	0.9
285.18442	2.0
289.17856	2.7
295.16974	0.9
297.13501	0.9
303.19617	1.3
313.17987	2.1
315.12177	2.0
331.19046	13.9
333.13312	7.7
349.20059	11.0
351.14359	8.7
367.21213	1.2
369.15753	1.0
378.90176	0.7
391.21094	6.1
421.21866	2.3
439.21347	1.1
457.22256	16.3
475.23318	11.5
493.24445	1.2
671.25659	2.4
671.34235	3.4
694.50763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01874	1.4
55.05506	1.9
57.03415	1.0
67.05510	3.7
69.03432	9.1
69.07078	2.1
71.04985	2.3
78.33492	0.7
79.05490	5.2
81.02976	1.3
81.03425	19.4
81.07063	8.1
83.01335	1.0
83.04980	1.7
85.02900	2.0
85.06530	0.9
91.04966	1.0
91.05477	9.7
93.07050	12.9
95.04971	2.6
95.08621	6.4
97.02897	19.4
99.04460	4.0
99.08088	2.3
100.08479	1.0
103.05495	1.0
105.06384	1.2
105.07043	15.7
107.04961	2.4
107.08597	15.7
109.02885	100.0
109.06522	7.1
109.10153	3.2
111.04448	4.0
111.08073	4.6
117.07061	1.5
119.04951	0.9
119.08585	38.1
121.06503	2.5
121.10146	11.6
123.04440	10.6
123.08078	10.5
123.11709	3.0
124.08819	1.6
125.09636	79.6
126.09982	2.7
127.03925	78.0
128.06219	1.7
131.08560	1.8
133.02873	7.0
133.06516	2.5
133.10135	31.3
135.04424	1.1
135.08104	1.9
135.11716	4.9
137.05978	1.6
137.09595	4.1
143.08562	5.5
145.04962	8.0
145.10120	2.8
146.07257	0.9
147.08049	18.9
149.05986	1.0
149.09592	1.5
151.03923	3.6
151.07552	1.7
151.11203	3.8
159.11714	1.2
161.09625	24.2
163.07585	1.4
163.11197	3.6
165.09134	25.1
171.08018	1.3
173.09636	1.4
175.11192	0.8
177.05428	1.3
179.03404	79.2
179.10683	16.7
180.11153	1.0
189.09113	18.6
193.04938	1.9
207.10175	29.2
215.10732	1.0
225.11227	68.1
233.11758	1.3
253.15950	1.0
253.91124	0.7
267.12357	9.0
267.17392	1.3
271.16965	2.1
279.12387	0.9
285.18625	1.5
289.17990	2.4
297.13556	1.2
303.19601	1.1
313.18039	4.8
315.12363	2.3
326.23801	0.8
331.19061	13.5
333.13315	12.5
349.20117	12.6
351.14386	13.6
353.36688	0.9
367.21069	1.1
391.21143	5.9
409.22556	0.9
421.22284	0.9
439.21185	1.6
457.22192	12.4
475.23331	8.3
491.01517	0.8
493.24103	1.9
547.18347	1.6
671.26373	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	670.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.91396	0.2
57.03424	0.5
58.06594	1.6
59.07372	0.7
60.08166	14.1
63.02375	0.7
65.03909	0.3
69.03387	0.2
69.40099	0.8
69.40513	1.5
81.03424	1.7
81.07077	0.7
84.08124	0.3
85.02901	4.3
89.03918	9.4
90.04250	0.3
91.05457	0.6
93.07059	0.6
95.04961	0.9
95.08619	0.5
97.02890	0.6
102.09181	10.7
103.03952	9.3
103.05462	9.2
105.07043	0.3
106.04185	0.3
107.08589	0.4
117.03381	26.3
119.04971	0.3
121.02863	2.1
127.03915	0.3
129.05478	0.3
131.04933	16.2
134.03653	2.5
135.04427	1.8
145.02847	68.6
146.03186	0.6
147.04480	0.3
149.05986	6.8
158.06024	0.6
162.11259	17.2
163.03931	1.1
167.03435	0.3
177.05473	79.2
178.05843	1.2
186.05559	2.2
242.13866	1.6
305.24832	0.3
323.25940	0.6
626.25909	0.9
670.24939	100.0
671.25208	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	669.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03931	4.8
55.01863	6.1
55.05500	5.0
59.04998	1.5
65.03941	1.5
67.05510	9.4
69.03436	12.0
69.07061	5.0
70.66660	2.2
70.67017	3.9
71.04984	2.2
73.02917	2.3
77.03954	1.4
78.04702	1.7
79.05495	14.0
81.03418	18.7
81.07056	12.2
83.05000	3.2
83.08622	2.3
85.02886	4.8
85.06581	1.5
89.03921	3.8
89.07762	1.2
91.05482	19.7
93.07047	18.8
95.04964	9.1
95.08610	14.4
97.02892	17.3
97.06526	3.5
99.04454	4.7
103.05464	13.0
105.07033	80.7
107.04945	9.8
107.08608	17.6
109.02884	34.5
109.06521	6.8
109.10162	12.4
111.04451	7.7
111.08057	4.7
113.05966	1.8
115.05439	16.1
117.03370	7.8
117.05466	2.4
117.07024	10.0
118.04156	3.6
119.04925	3.1
119.08585	44.3
120.47246	1.3
121.06531	6.8
121.10149	14.1
123.04435	5.3
123.08070	8.8
123.11694	5.1
124.05207	2.6
125.06026	2.1
125.09639	19.8
127.02985	1.8
127.03915	32.8
128.06244	4.4
128.36603	1.3
129.07001	5.9
131.04906	6.8
131.08536	9.2
132.05679	2.3
133.06494	74.0
133.10127	25.7
134.06894	2.0
135.04410	3.0
135.08061	6.0
135.11703	4.7
137.06000	6.4
137.09613	2.6
141.07004	2.6
143.04889	3.8
143.06056	3.6
143.08549	8.2
144.05659	3.8
145.02866	17.6
145.04936	3.2
145.06491	10.3
145.10146	9.7
147.04399	5.6
147.08044	20.0
147.11687	5.1
149.06003	6.3
149.09644	3.2
151.11218	3.4
153.05479	3.1
153.06966	2.6
155.08539	5.2
156.05679	6.4
157.06419	3.9
157.10092	4.4
159.08078	7.8
159.11707	6.0
161.05991	100.0
161.09619	14.6
161.13171	1.9
162.06436	2.0
163.03955	1.6
163.07472	3.1
163.11140	3.1
165.05550	3.6
165.07021	4.6
165.09111	14.3
167.07057	59.6
167.08562	5.3
169.06479	3.9
169.10056	3.5
170.07263	2.5
171.08020	8.0
171.10280	1.4
171.11673	5.4
172.05148	2.3
173.05991	6.7
173.09634	4.6
173.13226	2.7
175.07562	6.1
175.11235	2.2
177.05472	34.0
177.06799	1.4
178.05949	1.8
179.10692	11.0
181.05037	1.7
181.06520	2.8
181.08588	5.9
181.10086	2.9
183.07980	3.0
183.11670	2.7
184.05219	2.8
185.09636	3.5
185.13235	2.5
187.07556	9.1
189.05411	1.9
189.09071	12.4
189.12854	1.7
190.06250	3.5
190.07869	1.6
191.07037	15.5
191.08611	2.4
191.10637	1.9
192.07774	2.0
193.08607	68.4
193.10002	2.4
194.07347	2.7
195.08070	4.1
195.11719	2.3
196.66547	1.5
197.05984	2.7
197.09633	3.3
197.13304	1.6
198.06715	1.7
199.07578	4.4
199.11176	2.7
199.14740	2.3
201.05492	1.7
201.09114	2.0
203.07060	3.2
203.10794	1.7
204.07739	2.0
205.08569	25.5
205.10306	2.2
207.10141	23.0
207.11978	1.8
209.09793	1.8
209.13330	1.6
211.07637	3.1
211.11156	2.5
213.09158	4.1
213.16463	1.9
215.07001	2.7
215.10660	1.9
217.08609	31.4
217.11961	1.8
219.06538	2.2
219.10095	9.4
222.06752	3.2
223.07538	4.3
223.11292	1.7
223.14809	1.7
225.09148	3.5
225.11174	36.7
227.07098	3.8
227.10606	2.0
229.08571	4.5
231.10190	6.2
233.08055	4.2
235.09627	5.1
237.05507	1.9
237.09113	1.7
239.07062	2.5
240.07767	3.2
241.08606	5.2
241.12296	1.8
243.10220	2.5
245.08182	2.0
245.11792	4.3
247.09665	10.3
251.06975	2.1
253.08607	2.7
255.10184	5.2
255.17535	1.6
257.08188	3.8
257.11700	4.0
259.09564	9.5
267.06430	3.2
267.12350	4.1
268.07330	4.2
269.08075	5.6
269.11691	2.9
270.09335	2.1
271.09601	3.3
271.17026	1.8
273.11368	7.7
283.09668	32.7
285.07809	1.8
285.11224	7.3
285.14554	3.0
286.08527	1.9
287.16309	1.5
291.13641	1.9
295.16965	2.9
297.18494	1.9
299.16574	1.7
301.10699	30.3
301.17914	4.4
309.14648	3.2
309.60126	1.9
313.17905	3.6
315.19458	5.4
319.11777	6.1
323.16287	2.0
325.18100	2.9
327.16031	7.4
327.19330	2.1
331.19089	3.6
333.13013	1.6
335.20050	1.7
337.13834	1.8
339.12308	4.6
339.19409	1.6
351.15729	1.8
351.19687	1.7
353.21069	3.0
363.14679	9.7
365.20865	1.8
383.65732	1.8
457.22742	2.0
489.26318	3.8
507.27341	8.7
515.24548	1.6
531.27167	3.0
533.24615	2.2
535.26648	3.3
597.28357	2.7
615.29401	7.7
633.30359	7.5
651.31458	6.6
669.21716	7.6
669.31946	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	669.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96312	0.8
53.03937	2.6
55.01870	2.9
55.05516	1.1
59.04958	0.7
60.24063	0.7
65.03905	0.9
67.05499	5.3
69.03429	2.8
69.07047	2.5
71.04987	1.5
71.48907	1.8
79.05493	8.6
81.03418	5.9
81.07048	5.6
83.04980	1.5
85.02890	3.3
85.17442	0.7
91.05473	11.2
92.72430	0.7
93.07035	7.6
95.04947	4.1
95.08588	5.5
97.02883	8.7
97.06534	2.0
99.04427	1.8
103.05463	5.6
103.06027	0.8
105.07028	40.0
107.04947	5.2
107.08601	7.9
109.02860	5.9
109.06499	2.2
109.10156	6.2
111.04447	5.6
111.08081	1.5
115.05457	8.7
116.06281	1.1
117.05519	1.1
117.06998	4.7
118.04174	2.5
119.04907	1.2
119.08572	22.3
121.06493	2.9
121.10136	4.8
123.04423	2.9
123.08079	2.1
123.11713	2.3
125.05990	2.2
127.03902	10.9
128.06226	1.7
129.07004	2.6
131.04910	2.0
131.08562	4.0
132.05704	1.7
133.06487	38.9
133.10117	11.7
133.71927	0.9
134.06758	0.9
135.04425	1.3
135.08064	4.4
135.11696	1.4
137.05977	2.6
137.09602	1.4
141.06969	1.9
141.66196	0.7
142.07758	1.2
143.06052	1.5
143.08578	3.3
144.05681	3.3
145.06477	4.5
145.10129	5.8
147.04404	2.7
147.08051	9.5
147.11690	3.6
149.05984	1.5
149.09569	2.0
152.04784	1.1
152.06195	1.6
153.07002	1.7
155.08543	2.1
156.05705	5.0
157.06549	2.1
157.10123	2.5
158.07320	0.9
159.08044	3.5
159.11711	2.4
161.05972	53.5
161.09612	5.7
163.03877	1.5
163.07539	1.9
163.11148	1.2
165.05489	1.5
165.06995	2.1
165.09087	6.7
167.07048	26.8
167.08560	2.5
169.06456	1.8
169.10165	2.5
170.07251	1.2
171.08043	4.1
171.11711	2.3
172.05153	1.4
173.06001	2.4
173.09567	1.8
173.13211	0.9
175.07553	2.3
175.11212	1.8
176.04643	1.3
177.05505	1.6
177.06976	1.1
179.08611	1.0
179.10699	4.5
180.05780	0.8
181.04955	1.4
181.06444	1.8
181.08575	2.5
181.10112	1.6
183.08073	1.5
183.11784	1.2
185.09659	1.9
187.07526	4.8
187.11188	1.7
189.05518	1.0
189.09103	6.2
190.06120	1.6
191.07019	9.2
192.07730	1.1
193.04958	100.0
193.08595	38.6
193.10010	1.5
194.05368	1.7
194.07129	1.2
195.08031	3.3
195.11749	1.1
197.09608	1.8
197.13400	0.9
198.06763	1.7
199.07570	2.6
199.11209	2.5
199.14720	0.9
201.09088	1.4
201.12762	1.2
202.06232	1.3
203.06999	1.7
205.08556	12.4
207.10097	10.5
209.06047	0.9
210.06760	1.2
211.07477	2.3
211.11177	1.0
212.08220	0.9
213.09090	2.9
213.16348	0.9
215.06897	1.1
217.08562	14.8
217.12076	1.0
219.06439	0.8
219.10088	5.4
221.08072	0.9
222.06787	2.2
223.07574	1.8
225.05482	1.4
225.09036	2.4
225.11140	15.7
226.06087	0.9
227.07045	2.7
229.08537	1.4
231.10127	3.6
233.08055	1.9
233.11702	1.4
235.09514	1.9
237.08954	0.8
239.07106	0.9
240.07813	1.6
241.08606	3.9
241.12321	1.0
243.10167	2.1
243.13956	0.9
245.08055	1.2
245.11728	2.9
247.09639	8.9
250.06192	0.9
251.07158	1.9
253.08669	1.0
255.10268	2.2
257.08112	1.6
257.11710	1.0
259.09579	4.2
267.06680	1.0
267.12244	1.2
268.07318	1.8
269.08148	2.3
269.11618	1.1
271.09622	2.1
273.10971	3.8
283.09656	16.9
285.11215	3.6
285.14700	1.2
287.19922	1.3
297.18372	2.7
301.10672	16.7
301.17953	1.6
309.14841	0.8
313.17926	1.1
315.19601	5.0
319.11816	3.3
325.18143	1.6
327.15900	2.0
333.13321	1.2
337.13141	1.2
351.19629	1.1
353.20929	0.9
359.67160	0.9
441.22437	0.9
489.26172	1.0
507.27353	3.4
517.25647	1.3
531.26746	1.2
535.27313	1.4
615.29102	3.1
633.30310	4.4
651.31342	1.8
669.31848	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	669.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01875	4.7
55.05507	3.7
57.03453	2.2
61.25529	1.5
67.05515	11.2
69.03424	10.8
69.07066	4.0
70.51259	6.9
71.04994	4.1
77.04005	1.6
77.44827	1.7
78.51975	2.0
79.05495	14.8
81.03424	16.3
81.07064	16.7
83.04967	4.8
83.08618	2.7
83.14058	2.2
85.02910	4.8
87.04498	1.7
91.05492	24.4
93.07050	23.8
94.58648	1.6
95.04974	7.1
95.08620	17.9
97.02901	21.4
97.06534	3.3
99.04464	4.4
103.05450	6.8
105.03337	1.9
105.06391	2.9
105.07038	40.5
107.04944	5.8
107.08603	25.4
109.02898	15.7
109.06515	7.3
109.10157	11.8
111.04447	11.3
111.08075	3.3
113.05980	2.7
115.05446	6.1
117.07014	7.4
118.04150	6.0
118.29302	1.8
119.04909	2.3
119.08585	57.4
121.06509	7.4
121.10156	17.5
123.04420	5.4
123.08070	9.4
123.11710	5.5
125.05952	1.7
127.03919	26.7
128.06226	5.3
129.06989	5.8
130.04149	2.8
131.08583	9.7
133.06500	100.0
133.10124	33.5
135.04399	1.9
135.08072	10.0
135.11679	4.9
137.06030	4.3
137.09592	4.5
139.07446	1.9
141.07013	2.5
142.07745	2.9
143.04903	3.0
143.08594	11.1
144.05678	3.2
145.06493	7.6
145.10164	10.8
146.07220	2.9
147.04457	4.4
147.06967	1.7
147.08051	26.4
147.11728	4.3
149.06006	2.3
149.09666	3.9
151.11128	4.2
153.07040	2.4
155.08513	2.3
156.05672	9.1
156.09315	3.1
157.10135	6.3
159.08073	10.8
159.11697	7.1
161.05978	38.4
161.09610	21.3
161.13269	1.8
163.03926	3.3
163.11177	4.7
165.05527	1.7
165.09096	18.9
166.07744	1.8
167.07060	50.1
167.08408	1.7
169.10107	6.4
170.07303	2.8
171.08052	4.4
171.11684	9.1
172.05177	3.0
173.05994	10.9
173.09586	5.2
173.13309	3.2
174.06776	3.7
175.07555	8.7
175.11195	2.3
176.04710	3.1
177.05479	3.2
179.06999	3.4
179.10696	16.5
181.08574	3.1
183.08044	3.4
183.11639	2.2
184.05162	3.0
185.06030	2.4
185.09625	4.5
186.06747	5.3
187.07620	9.2
187.11261	2.4
189.09106	17.4
189.12746	2.2
190.06229	7.7
191.07050	20.5
191.10698	2.5
192.07741	2.3
193.04973	9.2
193.08620	53.4
195.08130	3.3
195.10135	2.3
195.11737	3.6
197.06071	2.3
197.09647	2.2
197.13293	2.3
198.06740	2.4
199.07520	6.9
199.11191	3.9
199.14795	3.0
201.09183	2.9
202.06117	3.8
203.06993	4.6
203.10616	3.1
204.07841	3.2
205.08588	37.4
205.10085	1.5
207.10158	28.6
207.11806	3.1
209.13324	2.3
211.07550	7.6
211.11183	2.2
213.05469	1.9
213.09093	4.6
213.12881	2.6
215.07008	4.6
217.08624	52.0
217.12134	3.3
219.10123	12.2
224.08525	2.1
225.09161	4.4
225.11208	55.7
226.11601	2.8
227.06979	6.4
228.07822	2.1
229.08569	4.7
231.10130	8.4
233.08026	8.7
233.11571	2.4
235.09528	3.3
237.09171	3.5
239.06982	5.7
239.10712	2.3
240.07814	3.0
241.08533	4.9
242.09088	1.8
243.10159	3.8
245.08063	2.9
245.11687	4.1
247.09599	4.5
253.08679	3.6
253.11922	1.6
255.10117	4.2
257.08069	6.1
257.11810	4.1
259.09601	11.8
259.13318	2.0
267.12347	5.5
269.08188	2.6
269.11816	2.3
271.09680	11.9
273.11218	2.6
283.09656	11.9
285.11179	9.6
285.14612	2.8
287.16370	1.9
287.20093	2.6
290.44913	1.9
293.15460	2.4
297.18460	4.0
299.16299	2.7
301.10742	12.8
301.17981	5.6
311.16403	2.9
315.19696	9.5
319.11908	3.1
323.16483	2.1
325.17984	5.3
327.15945	4.4
337.13766	2.5
351.15759	4.4
353.21042	3.1
391.19006	3.0
410.75034	2.0
475.25812	1.8
507.27429	8.8
517.25714	2.0
531.27362	8.5
549.28375	2.3
615.29651	10.9
633.30695	10.9
651.30762	5.6
669.34521	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	669.292
Annotation	Agrimol G
Peak:m/z	Relative Intensity
50.85551	0.3
52.27719	0.3
54.46739	0.3
64.88445	0.3
67.05503	0.8
69.99855	1.6
75.63942	0.3
79.05521	0.4
81.07050	0.7
83.05054	0.3
91.05460	0.5
93.07050	0.4
93.40867	0.3
107.08619	0.4
119.08533	0.3
158.58646	0.3
239.11760	0.3
377.17484	0.5
378.18469	0.4
379.19366	0.7
389.17520	0.3
390.18753	0.3
391.19656	0.6
392.20239	0.5
393.16528	0.4
393.20908	0.9
394.21606	0.4
405.16556	1.8
405.21271	0.9
406.17917	1.2
406.22348	0.5
407.22711	3.8
408.23068	0.4
418.17206	1.5
419.18304	3.2
419.23425	0.6
420.19043	1.5
421.20453	3.1
422.20944	0.4
423.21967	0.7
431.18848	0.4
433.20380	12.5
434.21445	4.5
435.21951	6.0
436.22641	0.5
445.20352	0.6
446.21249	0.9
447.17386	0.6
447.22272	1.2
448.18625	0.9
449.19574	6.3
450.20508	0.6
459.18076	0.3
461.19351	0.8
462.20438	1.7
463.21173	3.2
464.22293	1.3
465.22955	0.7
477.23105	0.9
479.25320	0.4
493.22226	2.3
495.24146	1.3
504.21381	0.4
505.22577	1.0
507.24496	0.4
508.21341	0.4
509.21497	1.5
520.24762	1.4
521.26093	7.3
522.22443	3.9
523.23181	4.0
535.23358	1.8
548.24164	0.6
549.25037	5.0
550.25616	0.5
565.24597	0.9
567.23132	1.3
577.24286	0.7
580.27032	1.5
581.27673	2.0
591.26367	0.8
593.28015	0.4
609.27063	17.4
610.27271	0.7
634.39825	0.4
641.29706	0.4
651.27771	0.7
669.29193	100.0
670.29480	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.292
Annotation	Agrimol G
Peak:m/z	Relative Intensity
50.39274	0.2
55.32294	0.3
58.66280	0.2
62.13446	0.3
67.05503	0.5
69.33958	0.6
69.34354	2.8
71.37915	0.3
75.04491	0.7
75.14540	0.3
83.08612	0.4
91.05385	0.3
95.08595	0.4
117.39629	0.3
154.42262	0.3
176.32379	0.3
197.10622	0.3
225.10251	0.3
256.27637	0.3
265.23047	0.3
377.17981	0.7
389.17572	0.4
390.18771	0.5
391.15118	0.5
391.19318	1.0
392.20129	0.6
393.20755	2.9
403.19327	0.4
405.16287	1.5
405.21631	0.6
406.17389	0.5
406.21960	0.6
407.18411	0.6
417.21140	0.5
418.17880	0.7
419.13657	0.3
419.18695	3.3
419.23587	0.3
420.19492	2.8
421.20291	5.6
422.20999	0.5
431.18781	0.4
432.19763	0.7
433.16028	1.1
433.21310	2.2
434.16342	0.5
434.22116	1.5
435.18082	0.9
443.19070	0.3
444.19595	0.7
445.20355	0.8
447.17218	2.3
448.18628	2.9
449.19711	4.9
450.20132	0.4
459.18500	0.4
461.20163	2.0
462.20898	1.4
463.17178	0.9
463.21683	1.1
464.21814	0.4
473.19803	0.7
475.21396	1.1
476.17502	1.4
477.18991	2.6
478.19876	0.8
479.25385	0.5
489.19080	2.1
490.20349	0.8
491.20776	1.8
492.21579	0.8
493.22418	0.7
495.23874	0.4
503.20822	1.5
504.21252	0.3
505.22751	0.3
507.24182	4.9
509.21887	0.5
521.25574	0.7
522.22583	0.7
523.23572	0.5
533.25873	0.4
534.22925	0.4
535.23444	9.4
536.23798	0.6
549.25201	3.7
550.25806	0.7
559.23480	1.7
563.22888	15.2
564.23126	0.7
566.12762	0.3
567.26599	0.7
577.24487	4.6
578.25189	0.9
579.25970	0.9
581.27991	3.0
591.23413	0.4
595.25458	3.5
609.27069	4.9
610.27258	0.3
619.25690	0.8
623.25018	6.8
637.26416	2.1
638.26752	0.4
641.29761	1.2
669.29187	100.0
670.29431	5.6
696.99481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75430	0.1
53.02220	0.1
53.03939	0.3
53.66199	0.2
55.01894	0.2
55.05502	0.2
61.72800	0.1
65.03941	0.3
67.01859	0.5
67.05520	0.9
67.44342	0.1
68.99787	0.6
69.03423	0.5
69.07076	0.3
69.48981	0.1
69.74714	0.1
70.08823	0.5
70.09229	0.3
79.05476	0.6
81.03434	1.1
81.07053	0.8
83.04972	0.3
85.02913	0.4
91.05472	1.1
93.07047	1.7
95.04956	0.3
95.08605	1.1
97.02883	1.1
97.06496	0.3
98.20776	0.2
99.04445	0.4
105.07018	1.8
107.04943	0.2
107.08588	2.1
109.02876	2.5
109.06503	0.5
109.10158	2.1
111.04433	0.7
111.08073	0.3
117.07057	0.4
119.04946	0.2
119.08589	2.5
121.06522	0.4
121.10125	1.0
123.08066	0.6
123.11697	0.5
125.05989	1.1
125.09655	0.1
127.03922	4.1
128.06175	0.2
129.07021	0.2
131.08571	0.3
133.06465	0.7
133.10126	2.0
135.08060	1.3
135.11697	0.4
137.06000	0.2
137.09587	0.3
143.08571	0.7
145.02914	0.2
145.04976	0.5
145.10117	0.6
147.04413	1.2
147.08031	1.0
147.11676	0.3
148.30783	0.2
149.09619	0.3
151.03909	0.6
151.11238	0.2
153.01877	0.4
157.10162	0.5
159.08028	0.2
159.11678	0.4
161.09619	1.5
161.13309	0.1
163.03864	0.6
163.11154	0.5
165.09074	1.1
166.07794	0.2
169.04907	0.4
169.10022	0.2
171.11635	0.3
173.09618	0.2
173.13257	0.3
175.03882	0.3
175.11079	0.2
177.05458	0.3
179.10722	0.7
181.10152	0.3
185.09616	0.7
185.13303	0.2
189.09093	0.7
191.10742	0.2
193.04968	100.0
194.05319	0.7
199.11179	1.1
199.14920	0.2
205.05025	0.2
207.10144	1.7
217.04932	0.2
217.12256	0.7
221.11816	0.2
225.09001	0.3
225.11220	4.5
235.06023	0.4
235.13264	0.2
237.16750	0.2
241.12234	0.2
259.05960	0.3
267.12210	0.7
273.18390	0.3
283.05905	0.2
287.19974	0.3
297.18393	0.7
301.07001	0.3
315.19586	2.2
333.13257	0.7
337.09113	0.4
351.14288	0.6
357.20566	0.4
423.21732	0.3
441.22781	1.0
447.16254	0.3
459.23856	0.3
473.25748	0.2
561.20044	0.5
569.14349	0.2
627.91406	0.2
669.29034	2.0
669.40198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01855	0.7
55.05503	1.7
65.03919	1.3
67.05508	4.1
69.03431	5.7
69.07058	2.0
71.04978	1.3
71.58598	1.0
77.03942	0.6
79.05508	4.4
80.56270	0.4
81.03419	8.8
81.07066	5.4
83.01313	0.5
83.04990	1.3
83.08607	1.3
85.02902	1.5
88.38358	0.5
88.61718	0.5
91.05482	6.8
93.07037	7.9
95.04965	2.0
95.08612	7.7
97.02896	7.8
97.06532	1.8
99.04452	1.7
105.03407	0.5
105.07030	11.6
107.04958	1.9
107.08596	10.8
109.02882	21.2
109.06522	3.1
109.10159	10.1
111.04449	6.7
111.08071	1.6
113.05999	0.5
117.07011	1.5
119.04869	0.9
119.08585	16.8
121.06494	2.3
121.10159	5.2
123.04405	1.3
123.08070	4.3
123.11689	1.9
125.05995	0.9
127.03918	33.3
128.06160	0.9
129.06975	2.0
130.07784	0.5
131.08588	2.6
133.02852	13.3
133.06499	10.1
133.10130	13.6
135.08052	4.3
135.11674	2.4
136.97224	0.5
137.06017	3.5
137.09619	1.7
137.13231	0.6
139.07500	1.0
141.07002	0.8
142.07829	1.2
143.08569	4.4
145.02885	0.6
145.04959	2.2
145.06482	0.8
145.10114	4.5
147.08040	7.2
147.11720	1.5
149.06003	1.6
149.09610	3.1
151.11172	1.7
155.08522	1.0
156.09354	1.5
157.10146	3.5
159.08058	0.9
159.11720	3.5
161.09616	9.9
161.13309	0.6
162.66022	0.5
163.03928	1.3
163.11214	3.2
165.05479	1.8
165.06894	0.9
165.09106	8.8
166.07819	0.7
169.10126	1.6
171.08112	0.6
171.11652	2.7
173.09637	1.0
173.13246	1.5
175.11230	0.7
178.02623	7.0
178.58456	0.5
179.10686	6.8
181.10089	1.5
183.11679	0.6
185.09665	2.2
185.13161	1.0
187.11212	1.2
187.14748	1.0
189.09111	6.6
191.10686	1.1
193.04970	100.0
194.05334	1.0
195.11798	0.9
197.13313	1.0
199.11191	6.1
199.14833	1.8
201.12827	0.8
203.10637	1.1
205.12083	0.6
207.10161	9.9
209.13307	1.2
211.14867	0.8
211.63242	0.6
213.12794	0.6
217.12167	2.8
219.13683	0.7
222.13963	0.6
225.09004	1.2
225.11232	23.4
227.10725	0.8
227.17914	0.7
237.16478	0.9
245.15689	0.6
249.11256	1.0
251.17924	0.9
255.17386	1.2
267.12238	5.7
269.19052	1.2
271.16837	0.5
273.18384	1.1
279.17389	1.1
287.20041	1.9
290.18591	0.5
295.11441	1.4
297.18466	5.2
313.18091	1.1
315.11887	0.5
315.19534	9.6
331.19016	0.9
333.13351	5.2
333.20609	1.6
351.14325	1.7
357.20563	1.1
366.20905	0.6
375.21579	1.1
405.20404	0.7
423.21613	0.9
441.22769	3.8
447.16336	10.0
459.23669	0.9
544.04791	0.5
669.28748	15.8
669.39819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89146	0.1
53.03937	0.4
63.02377	0.3
65.03927	0.2
67.05513	0.4
68.99825	0.3
69.03426	0.3
70.06586	0.3
70.90954	0.2
70.91275	0.3
77.03922	0.5
79.05495	0.7
80.98744	0.2
81.03419	0.2
81.07056	0.6
83.04985	0.3
85.02886	0.4
89.03907	3.3
91.05477	0.5
93.03424	0.2
93.07037	0.4
95.04962	0.6
95.08601	0.4
97.02887	0.5
104.69675	0.2
105.03382	0.7
105.07021	0.4
107.04951	1.4
107.08560	0.3
109.02866	0.6
111.04414	0.5
117.03374	4.2
119.08553	0.7
121.02787	0.2
121.06532	0.2
121.10204	0.2
123.04419	0.3
124.43988	0.2
127.03893	0.7
133.02835	1.5
133.10115	0.4
135.04410	11.5
137.06001	0.3
145.02835	8.3
145.10039	0.2
147.04402	0.8
147.08057	0.2
149.05946	0.2
151.03894	0.7
153.01810	1.5
158.05978	0.2
163.03893	100.0
164.04247	1.5
165.01939	0.2
165.09084	0.2
167.07063	0.3
175.07602	0.2
177.05470	0.6
179.10674	0.2
185.05833	0.2
186.05463	0.3
191.03404	2.2
191.07054	0.2
193.04993	1.2
199.03842	0.3
204.10121	0.4
216.04173	0.9
217.04855	0.4
227.01331	0.2
227.03268	0.8
228.04050	0.3
229.04912	0.3
231.02762	0.2
243.02893	3.4
244.03656	7.0
245.04306	1.1
255.02863	4.4
256.03638	1.0
257.04517	0.3
259.05994	0.6
272.03140	7.7
273.03760	0.9
283.02338	0.8
285.03946	0.4
286.04675	0.2
287.05478	95.5
288.05811	2.7
299.05457	0.4
301.03436	1.3
301.06635	0.2
302.04071	0.7
315.04959	44.9
316.05731	18.4
317.06451	3.2
337.09119	0.3
339.12122	0.2
342.66296	0.2
477.08127	3.8
478.08896	0.2
523.28979	0.4
651.13824	0.2
669.23901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11492	0.6
53.03937	1.4
54.16298	0.5
55.01877	3.5
63.91375	0.6
65.03949	1.1
67.05489	1.5
69.03424	2.3
69.07072	1.2
71.04997	0.7
71.59983	0.9
75.08032	0.6
79.05492	2.5
81.03426	3.6
81.07056	3.6
83.04991	0.8
83.08648	0.7
85.02904	1.0
90.32974	0.6
91.05476	5.9
91.62968	0.6
93.07056	3.9
95.04959	1.7
95.08602	2.0
97.02897	4.5
97.54966	0.5
103.05468	10.8
105.03387	0.9
105.07020	7.4
107.04922	1.5
107.08574	3.2
109.02879	10.2
109.06494	1.8
109.10171	1.3
111.04446	1.6
111.08056	1.0
115.05438	3.8
116.06255	1.4
117.07011	2.9
118.04201	3.1
119.04966	1.5
119.08581	6.7
121.06531	1.2
121.10148	2.3
123.04418	1.1
123.08094	3.1
123.11674	0.7
125.09640	12.0
127.03868	2.1
128.06221	3.4
129.07013	5.2
130.04117	1.1
130.07780	1.1
131.04936	12.0
131.08572	6.7
132.05705	2.1
133.02898	1.5
133.06523	4.1
133.10103	4.2
135.08035	0.7
137.05956	1.2
139.01413	0.7
141.06963	5.7
143.04935	0.8
143.08536	1.6
144.05705	5.9
145.02826	2.6
145.06496	5.4
146.03627	0.9
147.04393	2.0
147.08063	4.3
148.05185	5.7
149.05971	1.3
149.09596	0.7
151.07655	0.7
152.06200	1.6
153.06987	1.6
155.04910	3.8
155.05994	0.8
155.08569	1.1
156.05692	8.6
157.06517	3.0
157.07588	0.6
158.07289	3.5
159.08066	8.4
160.05219	1.8
161.05995	8.5
161.09660	3.1
162.06725	0.7
163.07561	9.4
165.05547	1.2
165.06998	2.3
165.09071	3.1
167.07031	5.6
167.08568	1.9
169.06493	4.7
169.07663	1.3
170.07324	1.0
171.08075	1.8
172.05217	4.5
172.83878	0.6
173.05980	4.9
174.06810	1.6
175.07547	2.0
175.11183	0.9
176.04680	2.1
176.08319	3.2
177.05510	7.0
177.06938	0.9
177.09088	3.5
179.10696	1.3
181.06514	2.2
183.04448	4.2
183.08130	1.2
184.05205	1.5
185.05956	1.8
185.09625	0.9
186.06769	2.6
187.07562	15.6
189.05513	1.7
189.09126	10.4
190.06268	2.1
191.07042	39.7
192.07811	5.6
193.08656	3.5
194.07346	1.0
195.08075	2.5
197.06007	3.8
198.06804	2.5
199.07527	2.1
200.04674	1.3
201.05531	1.1
201.09131	1.1
202.06235	2.6
203.07056	0.8
203.30487	0.6
204.07814	2.8
205.06741	1.3
205.08615	10.0
207.10153	2.8
208.05249	1.5
209.05980	1.4
211.07524	1.7
212.08376	1.5
213.09094	3.5
215.07027	13.6
216.07761	0.8
217.05154	1.3
217.08615	36.6
218.09285	0.7
219.10175	15.0
222.06767	1.9
223.07565	3.6
225.05505	1.4
225.09181	1.3
225.11224	3.3
226.06335	0.7
227.07086	1.0
229.08643	1.5
231.06587	1.0
231.10147	1.4
232.07286	2.4
233.07983	1.2
237.05435	1.7
237.13290	1.9
239.07007	0.7
240.07803	2.0
241.08543	4.9
243.06451	0.7
245.08006	1.4
245.11812	0.8
247.09668	100.0
248.09912	1.2
251.06966	3.3
255.10190	1.7
255.14514	3.0
259.09586	4.9
267.06641	0.7
267.10013	0.9
268.07288	3.0
269.08020	4.0
271.06433	0.7
271.09549	3.6
273.11121	5.9
281.08160	1.5
283.09665	18.0
284.10403	1.2
286.08456	0.8
287.09476	0.6
301.10703	40.4
319.11765	7.0
363.15897	0.8
391.15439	1.1
405.17133	1.4
409.16608	4.3
411.18042	2.3
421.22369	1.2
423.18079	3.2
441.19125	4.7
525.21204	0.9
543.22217	0.8
547.27026	1.1
553.21704	0.8
631.29016	5.3
649.29639	2.7
667.25470	26.4
668.26593	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98139	1.7
70.54438	1.7
71.60365	3.0
78.07731	1.8
82.43060	1.9
95.08568	1.6
108.04505	2.0
133.10104	1.8
133.14323	1.7
264.53174	1.9
321.87781	1.7
370.15610	1.9
374.65070	2.3
390.18604	2.4
391.19254	5.7
392.21066	1.8
403.19037	3.4
405.20700	9.0
406.21555	2.3
419.22379	5.6
433.20325	4.8
435.18311	2.8
445.20126	3.6
447.21994	5.1
449.19839	5.6
461.19397	3.4
463.21521	3.7
465.22934	7.9
487.21548	2.8
489.19055	2.4
493.22180	26.6
493.27850	2.0
501.19159	6.9
515.20453	3.0
516.21893	3.8
519.24048	3.4
521.25439	9.9
533.21991	3.5
537.25116	4.7
547.23584	7.5
551.26300	7.7
565.24567	18.1
575.23138	6.0
579.26080	12.9
580.26880	66.1
589.24286	2.4
607.25574	36.1
635.25061	31.7
639.28082	6.3
649.26538	6.4
667.27618	100.0
668.27966	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	667.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01878	1.5
55.05515	6.1
57.03443	1.8
57.07085	1.5
61.02922	4.1
64.89230	1.0
65.03922	1.1
67.05500	12.7
68.99799	2.3
69.03417	4.7
69.07066	10.2
71.57303	1.0
79.01640	0.9
79.05507	4.9
81.03414	3.2
81.07051	22.8
83.04992	1.2
83.08595	3.5
85.02901	14.6
85.06532	1.6
90.61206	0.9
91.03944	1.6
91.05456	13.3
93.07037	13.4
93.74189	1.0
94.07378	1.1
95.01332	1.3
95.04961	2.4
95.08610	24.2
97.02893	4.1
97.10120	1.1
99.04481	1.2
105.04612	0.9
105.07030	46.7
107.08591	18.5
108.05806	1.0
109.02862	2.8
109.10155	22.7
111.00807	1.5
115.05437	1.2
117.07026	1.7
119.08582	39.0
121.02953	1.1
121.10133	15.0
122.10957	1.2
123.11705	10.2
127.03912	2.8
129.06984	1.6
131.08534	2.6
133.10132	21.7
135.11694	6.6
137.02350	3.5
143.08539	1.1
145.04944	2.1
145.10107	4.9
147.04349	1.0
147.11682	36.6
148.12474	2.5
149.13255	6.0
153.01823	23.6
153.02998	1.8
157.10234	0.9
159.11691	2.5
160.12497	1.3
161.05946	2.2
161.13249	41.2
162.90126	1.1
163.03909	2.7
165.01900	3.0
167.87405	1.0
173.13271	1.6
175.03920	1.6
175.14845	4.0
177.16403	2.2
179.03395	6.3
187.03935	1.2
189.05473	2.5
189.16377	18.9
195.02930	1.6
201.05481	3.5
203.03430	5.4
203.17949	94.8
204.18726	53.4
205.19537	5.9
217.04967	26.4
229.04980	5.1
231.02946	1.2
245.04460	25.0
245.06732	1.3
247.06038	1.5
249.35945	1.0
255.06377	1.7
257.04614	1.8
259.06064	2.0
273.03931	49.1
274.04297	1.8
285.04034	1.4
287.05508	2.3
301.03415	79.1
302.03613	2.1
303.04984	76.4
309.07578	1.1
311.05438	2.0
313.03339	2.2
315.04895	9.0
327.04840	2.1
329.06570	2.9
337.07043	1.2
339.04645	1.3
341.06491	2.3
353.06699	1.7
355.08148	3.5
367.08148	3.5
369.09866	1.4
381.09891	1.5
449.16107	2.9
449.22632	1.3
459.21600	1.2
477.22644	1.9
487.21143	3.6
499.00089	1.2
505.22183	100.0
506.22440	5.8
667.40039	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01873	1.2
55.05506	7.4
57.03437	2.8
57.07059	2.2
61.02928	7.4
65.03944	1.6
65.49549	0.7
67.01852	0.9
67.05164	1.3
67.05505	15.5
68.99793	3.8
69.03425	9.1
69.06718	1.2
69.07069	15.2
71.04980	1.3
71.08604	0.8
71.59052	0.8
71.59420	1.1
73.02911	2.4
77.03932	1.1
79.05493	13.6
81.03415	7.1
81.07053	28.5
83.04974	2.4
83.08614	4.3
85.02908	14.4
91.03947	3.7
91.05476	19.5
91.06007	1.4
93.07045	20.4
95.04981	2.5
95.08601	26.9
97.02895	13.8
97.10163	2.8
99.04453	1.6
103.05479	1.9
105.03370	1.8
105.07027	43.6
107.07861	1.3
107.08592	23.3
107.09294	1.6
109.02860	3.0
109.06525	3.3
109.10156	22.9
109.65104	0.8
111.00800	3.3
115.05451	1.9
115.40230	0.8
117.06996	4.3
119.08574	35.4
121.02866	3.4
121.06507	1.5
121.10135	16.2
123.08051	3.3
123.11699	11.2
127.03932	4.9
128.06146	1.4
129.07022	2.2
131.04929	1.9
131.08562	5.7
133.10132	20.8
135.04396	2.1
135.08151	0.9
135.11688	9.5
137.02330	4.4
137.13235	2.0
139.03880	1.4
141.07005	1.7
142.07808	1.2
143.04871	0.9
143.08571	3.4
144.09369	1.0
145.04941	2.1
145.06459	1.6
145.10129	7.5
147.04393	2.8
147.08049	1.5
147.11684	50.7
149.02380	1.3
149.05968	1.0
149.09534	1.1
149.13249	6.3
151.11278	0.9
153.01825	45.8
153.06865	0.9
155.06018	0.9
155.08543	2.1
157.06467	1.3
157.10112	2.7
159.04428	1.1
159.11682	2.7
161.05954	1.5
161.13248	8.4
163.03894	2.2
163.14868	0.9
165.01859	3.4
165.06932	1.2
167.08588	1.2
169.06482	1.1
169.10181	1.0
171.02939	1.0
171.04323	0.9
171.11835	0.8
173.06085	1.2
173.13297	1.3
175.03879	3.5
175.14799	4.1
177.05467	1.4
177.16415	3.3
179.03363	7.7
179.08525	1.0
181.01312	1.2
181.06505	0.9
183.02899	1.6
183.08119	1.1
183.11690	1.7
185.13159	1.0
187.03912	1.7
187.14789	1.1
189.05563	2.0
189.16382	5.9
191.03505	1.5
191.17961	2.8
195.02913	4.1
195.11667	0.9
197.06070	1.1
199.14815	1.5
201.05556	3.9
201.16345	4.6
203.03397	11.3
203.07065	1.1
203.17955	38.2
205.04939	1.9
205.19588	1.7
207.02921	2.9
207.17426	1.2
213.05505	1.3
213.16310	1.1
217.04999	15.3
219.02965	1.0
219.06558	1.1
221.04387	5.2
227.07115	0.9
229.04892	8.1
231.02818	1.2
231.06657	1.4
233.04337	1.4
237.09033	1.1
241.04990	3.2
243.06519	2.6
245.04466	16.6
247.05995	1.3
253.04897	1.4
255.06448	2.0
257.04480	4.4
257.08261	0.9
258.05270	1.2
259.06009	14.1
267.06503	1.0
269.04483	2.6
271.06000	10.0
273.03937	33.7
273.07129	1.7
274.04645	2.1
275.05463	1.9
281.04459	1.3
283.05908	5.1
285.03949	5.8
285.07486	3.1
287.05521	16.2
295.06119	2.6
297.03983	5.2
297.07266	1.8
299.05518	4.0
299.08716	1.2
301.03424	30.2
302.04108	1.1
303.04977	100.0
304.05212	1.9
307.06024	1.5
308.06912	0.9
309.07553	2.4
311.05450	2.0
311.08954	1.9
313.03391	6.0
313.06943	1.6
315.04987	21.4
315.17322	0.9
317.06555	1.2
321.07605	1.9
323.05518	2.9
323.09164	2.2
325.07025	1.2
325.10678	1.1
327.05048	3.8
333.06436	1.1
335.08978	2.4
337.07077	3.4
337.10605	1.4
339.05029	3.7
341.06689	2.1
345.07388	1.3
347.08920	2.0
351.08588	1.6
351.19193	1.0
353.06366	2.0
353.10345	1.3
363.08704	2.2
365.10126	1.4
365.14087	1.5
375.12384	3.4
381.05783	1.7
381.09961	1.7
391.11572	1.1
401.13831	1.3
403.11234	2.0
403.15836	1.5
417.08115	1.0
421.12817	3.0
431.14709	1.4
447.09177	2.6
449.17032	1.1
449.22903	4.0
459.09210	2.4
459.21725	21.3
461.11026	1.0
461.23169	3.2
469.20007	4.5
475.21115	2.3
477.22681	16.9
479.24387	1.3
487.14093	1.6
487.21176	32.3
488.21805	1.6
503.21405	1.0
505.22217	77.8
506.22379	1.5
523.23071	1.4
524.24799	1.0
631.25073	2.3
649.26428	6.5
666.46057	6.4
667.27704	6.6
667.45917	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	667.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01860	1.7
55.05510	5.3
57.03428	1.5
57.07068	2.0
61.02917	2.2
63.58226	0.7
65.03938	1.7
67.05504	10.8
68.99791	2.4
69.03134	0.8
69.03431	9.1
69.07069	9.4
71.59219	1.3
79.05496	9.6
81.03428	5.4
81.07055	20.6
83.04965	1.5
83.08611	2.3
85.02905	14.7
85.17085	0.8
86.09702	1.3
91.04904	0.8
91.05473	14.9
93.03373	1.0
93.07044	14.8
95.04964	2.8
95.08605	21.5
97.02888	6.9
97.10146	1.4
99.04430	0.9
103.05451	1.2
104.10770	4.0
105.07031	34.5
107.04917	0.9
107.08596	15.4
109.02912	3.5
109.09454	1.3
109.10159	17.1
111.00810	2.5
115.05510	1.3
117.06996	3.3
119.08583	28.9
121.02870	1.8
121.06464	1.2
121.10143	12.0
121.55786	0.7
123.08053	2.3
123.11697	8.0
125.00010	0.8
127.03902	5.4
129.07016	1.4
131.08533	3.6
133.10130	15.4
135.11690	5.8
137.02330	3.9
137.13222	1.3
141.07071	1.2
142.07690	0.8
143.08560	0.8
145.04939	1.9
145.06482	1.4
145.10120	4.9
147.04402	2.2
147.11684	37.2
149.05974	0.9
149.13257	5.0
152.34515	0.8
153.01828	29.5
155.04863	0.8
155.08527	0.8
157.06543	0.9
157.10158	1.2
159.11710	2.4
161.05974	0.8
161.13257	7.0
163.03899	1.7
163.14836	1.2
165.01846	3.5
167.08597	1.0
169.06416	1.0
169.10197	1.0
171.02786	1.0
171.11700	0.9
173.13293	1.1
175.03888	3.1
175.14842	1.9
177.16368	2.6
179.03404	5.3
181.06462	1.4
183.02896	0.8
183.11746	0.9
184.07278	1.8
185.05925	1.1
187.03838	1.0
189.05496	2.3
189.16388	3.5
191.03391	1.3
191.17937	1.7
195.02950	1.7
199.04019	0.9
199.07603	0.9
199.14799	1.2
201.05492	3.2
201.16405	3.8
203.03384	11.5
203.17946	25.7
203.83372	0.8
205.19580	0.9
207.02887	2.6
207.17416	2.1
211.11211	0.9
213.05502	1.6
217.04942	11.3
221.04355	2.5
229.04944	5.8
231.02898	1.2
231.06564	2.1
233.04509	0.9
241.04951	2.3
243.06601	1.0
245.04489	12.3
247.06120	1.0
253.04912	1.7
255.06578	1.4
257.04388	4.0
259.06006	7.4
269.04636	1.1
271.06018	7.5
273.03946	22.0
273.07056	1.7
274.04462	1.1
279.06686	0.9
281.17395	1.1
283.06021	2.9
285.03867	2.9
285.07285	1.3
287.05478	9.4
295.05939	1.4
297.03946	4.1
297.07288	1.4
299.05524	2.7
301.03448	25.7
301.21799	1.0
302.03906	1.1
303.04993	100.0
304.05283	1.8
304.26266	2.2
305.26782	0.9
307.05957	0.9
309.07623	1.2
311.05380	1.9
313.03558	4.3
315.04965	13.0
317.06866	0.8
323.05515	1.6
323.09064	1.5
327.04929	3.5
335.09164	2.1
337.07138	2.1
337.10703	0.9
339.05029	3.4
350.17789	1.1
351.17770	0.8
353.06430	1.5
359.09085	1.1
361.10541	1.1
363.08658	2.2
375.12149	1.0
381.09738	1.1
409.13086	0.9
421.12402	1.7
431.14923	2.1
447.09106	0.9
449.16461	1.7
449.23108	3.7
459.09161	1.0
459.21735	16.1
461.23047	2.4
469.19958	2.9
475.20972	1.2
477.22620	10.9
487.21182	20.4
487.29617	1.2
487.30768	1.2
501.50931	0.9
505.22214	56.6
506.22403	1.6
523.22644	1.3
649.26074	1.3
667.27570	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	667.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01867	1.3
55.05507	7.0
57.03416	1.4
57.07061	1.5
57.45881	0.5
57.81876	0.5
60.19139	0.5
61.02925	3.1
65.03934	2.2
67.01847	0.5
67.05165	0.8
67.05501	11.3
68.99778	3.7
69.03072	0.7
69.03424	9.3
69.06720	0.8
69.07066	11.5
70.61079	1.7
71.01352	0.5
71.04984	1.6
73.02896	1.6
79.05489	10.5
81.03413	5.8
81.06574	1.1
81.07050	21.7
83.01321	0.8
83.04962	1.9
83.08606	3.1
85.02427	0.9
85.02905	14.8
87.04476	0.7
89.46310	0.6
91.03941	0.9
91.05473	15.9
93.07038	15.6
95.01320	0.8
95.04979	3.3
95.08601	23.3
97.02888	9.2
97.06524	0.6
97.10150	1.3
99.04437	1.8
100.85236	0.5
101.02401	0.8
103.05492	1.1
105.03386	1.4
105.07027	33.2
107.04946	1.1
107.08588	18.5
109.02853	3.1
109.06516	1.4
109.10153	20.4
111.00787	2.9
115.05438	1.2
117.07020	3.2
119.04962	0.8
119.08575	28.5
120.08857	0.8
121.02860	2.0
121.09303	1.0
121.10138	14.1
123.04389	1.2
123.08058	2.3
123.11700	9.1
127.03915	5.1
128.06235	1.0
129.06966	2.2
131.04919	1.1
131.08542	4.3
133.02817	0.8
133.10121	20.5
135.04391	0.8
135.11682	7.0
137.02322	3.9
137.13223	1.8
139.03909	1.3
141.06995	1.2
143.08546	1.6
145.04968	1.4
145.06485	0.9
145.10104	4.1
147.04390	2.6
147.08029	1.2
147.11679	42.6
149.02328	0.7
149.05940	0.8
149.09674	0.6
149.13249	4.0
153.01822	34.7
155.04910	1.0
155.08556	1.4
157.06488	0.9
157.10120	1.7
159.11734	2.9
160.12509	0.7
161.05986	1.2
161.13246	7.6
163.03882	2.9
163.14787	0.7
165.01852	3.9
167.08585	1.4
169.06456	1.1
169.10110	0.7
171.02937	0.9
171.04391	0.8
171.11627	1.6
173.05977	2.0
175.03850	3.0
175.14864	2.5
177.05467	1.4
177.16362	2.3
179.03368	5.8
181.01366	0.7
181.06467	1.1
181.09993	0.7
183.02861	1.1
183.08075	0.8
183.11717	1.1
185.06021	0.9
187.03886	0.9
187.14798	1.8
189.05498	2.8
189.16405	4.5
191.03413	1.0
191.17964	1.9
193.10167	0.6
195.02867	2.4
195.11685	0.7
197.06024	1.7
199.05922	0.5
199.14835	1.7
201.05423	2.7
201.16371	4.5
203.03386	12.0
203.06882	0.8
203.17947	30.9
204.18558	1.0
205.04932	1.0
205.06709	0.5
205.19495	1.7
207.02898	3.3
207.08115	0.5
207.11685	0.7
207.17407	2.0
209.09572	0.6
211.14807	0.9
213.05499	1.6
213.16422	0.8
215.06963	0.7
215.18045	0.6
217.04974	12.5
217.15845	0.6
221.04453	3.4
221.09457	0.6
223.11136	0.6
225.05481	0.6
227.06749	0.9
229.04948	7.7
231.02858	1.1
231.06430	1.5
231.17494	0.7
233.04424	1.6
241.04985	1.9
243.06596	1.2
245.04422	14.3
246.05060	0.6
247.05939	1.0
253.04947	1.1
255.06406	1.4
257.04459	4.1
259.05997	7.7
267.06485	1.2
267.10080	0.6
269.04449	2.3
271.05984	7.5
273.03928	29.4
274.04581	1.8
275.05536	1.2
279.06406	1.0
281.04425	1.6
283.06021	3.0
285.03912	4.0
285.07544	1.9
286.04724	0.8
287.05475	9.5
289.06906	0.8
295.05923	2.1
297.03958	4.8
297.07706	1.6
299.05450	2.4
299.08755	1.0
301.03424	25.9
302.04062	1.5
303.04977	100.0
304.05219	1.2
307.05942	1.0
308.06866	0.7
309.07556	1.9
311.05746	2.6
311.08896	1.2
313.03406	4.1
313.07166	1.4
315.04956	17.7
321.07654	0.9
321.18521	0.7
323.05460	2.7
323.09058	1.3
325.06958	1.2
325.10593	1.3
327.05029	3.9
333.06195	1.5
335.05463	0.9
335.09052	1.2
337.06995	2.4
337.10605	1.2
339.04892	2.3
341.06409	1.6
347.09091	1.3
349.06964	1.0
349.10779	0.9
353.06552	1.5
353.10297	0.8
359.08780	0.7
361.10803	0.9
363.08469	2.5
369.05969	0.7
375.12317	2.0
377.10150	0.9
381.09857	2.0
403.11179	1.0
403.15756	1.2
416.16055	0.6
417.17059	0.9
421.12460	1.5
431.14471	1.1
435.14325	0.6
435.21475	0.7
445.07745	1.0
445.16461	1.1
447.09109	1.0
449.16119	1.5
449.23245	4.0
459.09180	1.2
459.21631	18.8
461.23312	2.4
469.20221	4.4
475.21002	1.5
477.10703	0.8
477.22739	11.9
478.22937	0.7
479.23993	1.0
487.21173	25.0
505.22189	68.1
506.22360	2.6
523.22797	1.5
529.22156	1.1
631.25232	1.2
649.26172	3.7
667.27429	7.9
667.38452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01862	0.8
55.05497	2.2
57.03428	0.5
61.02930	4.7
67.05500	5.4
68.99792	2.0
69.03421	1.2
69.07072	4.0
70.66048	0.4
70.66438	1.6
70.98601	0.5
73.02911	0.8
75.96221	0.4
79.05499	4.4
81.03393	0.8
81.07054	8.5
83.08612	1.6
85.02900	5.1
91.03938	1.6
91.05470	9.1
93.07040	8.0
95.01324	1.2
95.04951	1.8
95.08600	10.1
97.02888	2.5
97.10197	0.6
99.04417	0.7
105.07032	16.2
106.07333	0.7
107.08596	8.4
109.02876	0.8
109.10156	11.6
109.10903	0.7
111.00787	2.3
115.05428	0.8
116.27561	0.4
117.07010	1.5
119.08573	16.1
121.02855	1.4
121.06493	0.7
121.10150	6.9
123.04437	1.2
123.08203	0.5
123.09083	0.4
123.11732	3.5
125.03296	0.5
127.03918	1.8
128.06219	0.6
131.04919	0.9
131.08537	1.5
133.02792	0.7
133.09128	0.5
133.10132	8.8
135.11703	2.2
137.02325	4.4
139.03941	0.8
145.04884	0.5
145.06500	0.9
145.10132	1.6
147.04388	2.1
147.11690	24.0
149.02379	0.9
149.13246	1.5
153.01825	20.5
155.04971	0.5
159.04349	0.6
159.11702	0.9
161.05980	1.4
161.13239	3.4
163.03893	2.2
163.14824	0.5
165.01807	3.4
167.07043	0.9
171.02773	0.7
171.04349	0.5
173.05974	1.3
175.03911	2.9
175.14803	1.8
177.05518	0.9
177.16425	1.7
179.03410	4.1
183.02911	1.4
187.03928	0.6
189.05469	1.8
189.16493	0.9
191.03377	1.2
191.07034	1.5
191.18059	0.6
195.03001	0.7
197.05939	0.6
201.05446	2.6
201.16396	1.9
203.03398	10.6
203.17957	12.6
204.18690	0.9
205.19511	1.1
207.02788	0.5
213.05479	0.9
217.04964	11.6
219.02940	0.6
225.09251	0.7
225.11223	1.1
227.03395	0.5
228.04190	0.6
229.04950	5.7
231.02881	0.5
245.04482	11.0
247.05989	1.2
257.04404	3.2
259.06049	1.9
269.04526	0.8
271.05981	0.9
273.03940	25.4
274.04514	1.7
275.05472	0.6
279.06104	0.5
283.06223	0.6
285.03909	2.5
287.05426	1.6
295.05984	0.8
297.03836	0.9
299.05536	1.7
301.03442	24.9
302.04132	0.7
303.04990	100.0
304.05289	1.9
304.08655	0.5
311.05539	1.1
313.03458	3.4
314.66815	0.5
315.04941	11.8
338.17590	0.5
341.06650	0.6
363.08603	0.9
381.09573	0.6
403.11664	1.2
421.12735	1.7
449.23273	1.0
459.22131	0.7
487.21204	2.4
505.22226	17.3
512.47675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64160	0.3
66.97962	0.3
67.05466	0.6
69.07045	0.5
69.36270	2.7
71.61073	0.2
73.45511	0.2
78.18066	0.2
81.03371	0.3
81.07041	0.4
83.04910	0.3
84.40823	0.2
85.02873	0.5
91.05420	0.4
93.07002	0.4
95.08544	0.8
97.02849	0.6
105.06968	0.6
107.08550	0.5
109.02786	0.3
109.10096	0.5
111.04386	0.9
113.32742	0.3
117.07002	0.3
119.08546	0.4
120.01869	1.4
121.02593	0.4
121.10084	0.4
127.03864	0.3
133.10092	0.5
137.02165	0.3
138.02826	1.1
145.02762	0.3
145.10051	0.3
146.06973	0.5
151.69962	0.2
153.01768	1.2
163.03911	0.4
167.03145	3.2
174.02846	0.9
175.03670	3.5
178.87190	0.3
189.08963	0.4
203.03191	4.7
221.99687	0.3
295.11526	11.4
313.03366	0.4
315.04935	1.2
319.07843	3.5
336.14099	0.4
377.08466	0.5
391.13535	0.5
405.11615	1.8
410.08081	0.5
415.13470	1.5
433.14731	0.7
447.16260	77.6
448.16586	2.6
487.20837	0.5
505.22266	2.4
515.22430	0.9
529.17230	0.3
543.18530	0.5
544.19354	1.2
562.57941	0.3
667.27191	100.0
668.27533	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	665.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26815	1.9
53.03942	4.1
53.65130	1.8
55.01880	2.3
55.05509	15.5
57.03419	3.1
57.07076	5.3
59.28651	1.9
60.56212	1.9
65.03941	3.8
67.05503	32.7
68.85059	1.9
69.03430	19.8
69.07073	18.4
70.17500	9.4
71.04990	6.0
79.05484	19.8
81.03410	8.3
81.07055	44.7
83.04990	13.0
83.06092	3.8
83.08617	12.2
85.02905	17.8
85.06555	3.1
87.00799	2.6
91.05473	19.0
91.58785	2.0
93.07046	43.0
94.01263	2.0
95.01334	7.6
95.04970	28.7
95.08609	76.3
97.02894	30.9
97.06523	12.1
97.10168	6.9
99.04431	4.6
99.08094	4.0
103.03910	3.2
103.05509	3.0
105.07034	50.1
107.05013	2.1
107.08594	71.8
109.02890	11.3
109.06550	5.2
109.10158	55.3
111.04433	5.7
111.08096	6.3
115.03907	2.3
115.05452	2.7
117.07015	9.4
119.04922	5.7
119.08588	99.1
120.08949	2.3
121.06508	3.5
121.10148	53.6
123.04440	3.2
123.08073	7.7
123.11712	13.5
125.09627	18.1
127.03905	13.2
128.06250	3.4
129.05472	2.8
129.07011	5.7
131.08571	33.1
133.06494	3.3
133.10132	64.7
134.10506	2.2
135.08060	6.4
135.11697	26.3
137.09622	5.2
137.13245	2.6
139.07549	2.9
141.01819	13.6
142.07797	2.2
143.08554	11.2
145.02728	2.7
145.10123	69.2
147.04382	15.4
147.08061	3.8
147.11690	39.5
149.09605	6.5
149.13255	20.4
150.05484	6.9
151.05835	4.7
151.11182	3.7
153.09135	4.5
155.08540	3.5
156.09363	2.7
157.10150	18.0
158.10904	2.7
159.08090	3.6
159.11696	63.6
161.09644	6.1
161.13248	46.0
163.03865	2.8
163.11203	8.8
163.14804	22.9
165.09105	2.9
165.12830	2.2
169.10178	6.8
170.10817	3.0
171.11696	16.8
173.09782	2.7
173.13271	49.4
175.11174	4.1
175.14830	42.4
177.05486	8.3
177.09242	2.0
177.12791	2.8
177.16386	28.7
179.10699	2.0
181.10022	1.9
182.10936	2.8
183.11723	9.3
184.91574	1.8
185.13213	15.9
186.13863	1.9
187.13132	3.6
187.14816	75.5
189.09106	4.1
189.12769	5.5
189.16389	66.1
191.14304	6.4
191.17944	11.8
193.15907	8.5
197.09550	2.3
197.13264	8.2
199.14812	25.5
201.16386	100.0
203.14333	4.7
203.17938	35.1
205.15910	8.0
207.17509	3.3
209.13312	3.7
211.14816	8.9
213.16391	26.3
215.14354	3.3
215.17949	28.3
217.15900	9.6
219.17436	29.6
221.15359	3.8
223.14845	3.4
223.16869	2.7
225.16396	7.3
227.17975	9.5
229.15979	4.0
229.19485	10.9
231.17517	10.0
233.19084	4.9
235.16821	11.9
237.16388	3.2
237.18520	2.8
239.17807	4.4
241.19440	11.0
243.17470	2.5
243.21075	8.2
247.16922	19.9
249.18565	3.9
253.19557	3.1
255.21106	2.9
257.18848	3.2
257.19534	3.3
257.22623	55.8
258.23050	3.0
259.20694	2.4
261.18463	11.2
265.19431	3.3
267.21094	12.8
269.22562	3.1
271.20407	2.7
275.20053	3.1
281.15781	2.1
281.22656	5.7
285.18823	2.4
285.22107	40.1
301.21613	3.6
303.23169	7.1
327.23349	12.0
329.25085	2.3
331.18842	4.3
332.19357	5.6
341.24728	5.2
343.02893	2.2
345.07956	2.2
349.29080	2.6
353.24878	3.6
365.25638	2.1
377.32062	5.5
381.24286	3.1
389.32089	14.9
391.33817	3.2
395.29526	7.0
399.25415	2.4
402.91522	1.9
407.33124	46.8
409.34619	5.0
417.26361	3.7
423.32568	11.5
425.34290	12.5
435.32541	53.6
453.33649	65.7
457.33237	2.9
471.34756	46.3
565.36084	2.3
647.31128	2.8
665.31030	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	665.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00211	1.5
51.09214	1.5
51.65840	1.5
53.03934	2.1
55.05510	12.9
57.03436	1.8
57.07069	4.0
60.25710	1.4
63.36840	1.4
65.03944	2.3
66.13947	1.3
67.05514	17.5
69.03420	5.8
69.07068	14.7
71.04977	3.2
79.05485	17.8
81.03421	2.7
81.06580	2.6
81.07058	44.0
83.04984	10.6
83.08622	10.9
85.02879	5.0
85.62878	1.6
91.05482	23.8
93.07045	74.0
95.01359	7.8
95.04969	4.9
95.08611	68.8
97.02882	4.5
97.06520	3.8
97.10158	5.1
99.04467	3.1
99.08092	2.5
103.05445	1.7
105.01850	2.1
105.07037	38.9
107.08597	82.6
108.08868	2.4
109.02872	4.0
109.06512	6.3
109.10159	47.8
111.08118	7.1
113.02374	1.6
117.03436	1.5
117.07006	6.3
119.08582	78.8
121.06549	2.0
121.10146	47.4
123.08073	4.8
123.11698	12.6
125.05943	1.4
125.09634	15.9
127.03889	5.8
128.06291	1.5
129.07098	2.3
131.08569	28.1
133.06512	2.6
133.10130	51.4
134.10368	1.5
135.04323	1.8
135.08029	3.8
135.11696	69.9
137.05962	1.8
137.08600	1.5
137.09607	5.5
137.13205	3.7
139.07518	1.7
141.01852	16.0
143.08572	9.2
144.09341	3.3
145.10121	56.9
147.08049	1.6
147.11693	29.3
149.09645	4.0
149.13272	13.3
151.11177	3.0
153.09088	3.6
153.12723	4.2
155.08505	2.7
157.10138	15.5
159.08136	1.5
159.11693	52.4
161.09615	4.3
161.13269	32.0
163.03851	7.4
163.07570	2.0
163.11220	5.2
163.14812	18.7
165.09102	3.5
165.12740	1.5
167.10672	1.6
169.10121	3.2
171.11725	11.9
172.12428	1.8
173.09668	2.1
173.13277	35.9
175.14835	32.9
177.09151	2.7
177.12894	3.3
177.16402	19.4
179.10684	2.3
179.14273	3.0
180.72356	1.6
183.11707	3.5
185.13298	7.2
186.14003	1.8
187.14825	66.4
188.15120	1.7
189.09027	2.7
189.16394	53.7
191.14297	4.7
191.17964	14.3
193.15852	9.2
197.13332	3.3
199.14844	17.1
201.16385	100.0
202.16647	1.7
203.17957	20.9
205.15863	10.2
207.17519	3.1
211.14813	4.1
213.16403	27.2
215.14395	2.1
215.17947	30.1
217.15919	9.8
217.19601	2.5
219.17441	39.3
221.15324	4.1
223.14748	1.6
223.17010	2.7
225.11140	3.7
225.16420	4.0
227.17952	6.7
229.15939	2.0
229.19389	10.3
231.17462	12.2
231.66887	1.6
233.09341	8.4
233.15338	2.2
233.18958	8.9
235.16994	11.9
237.18481	5.0
239.17842	2.8
241.19563	6.9
243.17325	1.6
243.21175	1.8
245.19002	2.2
247.16971	30.9
249.18494	4.4
251.10429	3.5
253.19545	3.0
255.21080	3.4
257.22565	2.3
259.20584	2.7
261.18500	16.5
267.21194	2.9
269.22473	2.1
273.18719	2.0
275.20074	6.6
281.22644	5.0
283.20639	2.4
283.24011	3.5
295.24063	3.5
297.18582	2.2
301.21631	12.9
309.25467	2.0
311.23669	1.7
311.71072	1.6
315.19516	2.0
327.23291	13.9
329.24585	3.3
333.14679	9.2
337.24982	1.8
341.24753	5.3
349.28928	1.9
353.24631	1.5
377.31949	2.0
389.32156	15.6
395.29181	6.9
407.33118	58.6
409.34634	5.7
417.31094	2.0
423.32419	11.2
425.34195	15.4
435.32614	67.3
453.33640	88.4
454.33844	2.5
471.34741	61.4
472.35059	2.1
665.30310	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	665.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	10.4
57.07079	4.3
62.79195	1.5
65.03951	2.2
67.05515	15.9
69.03436	4.3
69.07076	15.7
70.97549	4.2
70.97892	1.9
71.04983	1.9
77.03978	2.1
79.05488	16.0
81.07063	40.4
83.04989	8.2
83.08626	10.3
85.02933	2.4
91.05486	14.7
93.07051	38.6
95.01331	12.4
95.04964	5.9
95.08617	70.8
97.02889	1.7
97.06528	5.2
97.10150	6.5
99.08089	3.6
105.07039	48.8
107.08604	63.2
108.74825	1.7
109.06532	4.8
109.09452	3.2
109.10167	43.1
111.08090	4.8
115.05421	2.3
117.07005	6.5
119.08598	89.7
121.06534	3.2
121.10149	50.4
123.08077	5.2
123.11723	12.1
124.41100	1.7
124.42014	1.6
125.09656	16.7
129.07037	3.5
130.78613	1.8
131.07611	2.3
131.08580	35.5
133.10138	57.4
135.08055	3.9
135.11710	23.5
137.09612	4.1
141.01837	22.3
141.07014	2.0
142.07779	2.0
143.08626	8.4
145.10136	62.7
146.10579	2.3
147.11702	31.2
149.09599	4.8
149.13272	17.2
151.11183	3.2
151.36357	1.7
153.09146	4.0
157.10117	14.1
158.10931	2.9
159.11703	54.2
161.09621	2.9
161.13257	39.7
163.07651	2.0
163.11171	2.6
163.14835	21.2
169.10132	3.6
171.11726	13.3
173.13286	53.4
175.14847	42.1
177.12779	4.8
177.16406	28.6
179.10834	2.8
179.14334	2.1
183.11699	3.4
185.13260	9.8
186.14088	3.0
187.14835	72.0
189.16403	64.9
191.14325	4.5
191.17966	12.5
193.15924	11.7
197.13286	4.9
199.14836	21.2
201.16400	100.0
202.16776	2.4
203.14232	3.5
203.17960	28.8
205.15872	11.1
205.19551	3.5
207.17415	4.6
211.14902	3.5
213.16406	28.4
215.14522	1.8
215.17978	30.5
217.15891	13.1
217.19490	4.3
219.17458	33.2
221.15385	5.6
225.16457	3.2
227.17978	9.5
229.15929	1.7
229.19576	10.3
231.17491	16.2
233.15375	3.7
233.19041	6.3
235.14848	3.2
235.16910	13.7
237.16359	2.2
237.18590	3.4
239.18050	3.0
241.19548	6.5
247.16965	25.3
249.18483	4.8
253.19576	3.3
255.20993	4.2
259.16983	2.3
259.20441	3.0
261.18515	19.8
275.20053	5.0
281.22668	7.7
283.24203	5.1
325.21506	1.9
325.28931	1.8
325.72870	1.8
327.23215	17.0
329.24643	3.3
341.24664	5.6
346.03891	1.8
349.28717	3.4
377.32001	6.1
389.32117	20.7
395.29291	5.3
395.33478	4.4
407.33118	70.1
409.34607	4.8
423.32568	16.3
425.34219	18.7
435.26682	3.9
435.32666	79.2
436.33203	3.4
441.33444	3.2
453.33688	95.7
454.33966	4.0
461.19858	7.3
471.34778	65.9
472.34924	4.2
575.44891	2.1
665.31244	12.1
665.41144	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	665.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.6
53.03933	1.7
55.05511	8.6
57.03439	2.5
57.07072	3.4
67.05503	16.8
69.03413	4.5
69.07068	16.3
71.04977	1.6
71.59727	1.4
77.03917	1.8
79.05490	13.9
81.07059	38.7
83.04988	9.6
83.08622	9.1
84.44217	1.3
85.02900	5.5
85.06490	1.4
91.05486	17.4
93.07045	40.0
95.01328	11.0
95.04953	6.4
95.08608	65.1
97.02929	2.3
97.06524	5.9
97.10164	4.8
99.08094	2.8
105.07031	43.9
107.08599	61.3
109.06515	7.1
109.10161	48.1
109.10915	2.3
111.08075	9.8
113.02396	1.8
117.07068	6.9
119.08583	81.2
120.08102	1.4
121.06485	4.0
121.10139	45.1
121.11035	2.3
123.08087	6.8
123.11705	12.2
125.09634	18.1
126.95138	1.6
127.03855	2.1
128.06187	1.5
129.06982	4.5
130.07756	2.2
131.08571	29.8
133.06483	1.9
133.10130	49.8
135.08057	5.0
135.11699	22.6
137.06018	1.3
137.09622	3.2
137.28131	1.3
141.01830	16.6
142.07787	1.8
143.08562	9.4
144.09323	3.4
145.10123	64.9
146.10847	1.6
147.11694	30.9
149.09624	5.1
149.13266	14.5
151.07561	2.4
151.11217	2.6
153.09106	5.3
155.08568	2.5
156.09404	1.5
157.10103	12.8
158.10873	2.1
159.08127	1.4
159.11697	53.5
161.09633	2.6
161.13255	32.2
161.14587	1.9
163.03975	1.8
163.11151	4.4
163.14832	21.1
165.09047	1.8
165.16449	1.7
167.10686	2.0
169.10149	2.9
170.10809	1.6
171.11658	11.7
172.12444	2.8
173.13272	35.3
175.11259	1.3
175.14818	34.6
177.09227	2.0
177.12749	3.6
177.16383	26.1
179.10674	2.7
179.14272	2.0
183.11710	5.6
185.13280	9.4
187.14819	64.6
189.16386	61.0
189.18117	3.2
191.14317	5.3
191.17961	14.2
193.15944	6.7
197.13260	4.5
199.14827	24.3
201.16386	100.0
202.16739	2.3
203.05693	1.8
203.14310	3.1
203.17944	26.2
205.15845	7.5
207.13681	1.7
207.17445	4.3
211.14853	4.8
213.16386	24.6
215.17969	33.4
217.15846	9.3
217.19356	2.8
219.17441	36.6
221.15417	4.6
223.14830	1.5
223.16948	2.5
225.16377	3.9
227.17952	7.7
229.15877	1.8
229.19530	10.4
231.17445	12.7
233.15408	3.1
233.19002	7.3
235.16933	14.7
237.16341	2.6
237.18552	4.1
239.18021	3.7
241.19531	6.2
243.21082	4.1
245.15567	1.8
245.19014	2.7
247.16927	22.4
249.18535	5.0
251.17805	1.6
253.19553	3.6
255.20984	3.1
259.09583	2.2
259.16968	2.3
259.20483	1.5
261.18527	16.5
267.21112	4.0
269.22647	2.6
275.20139	5.8
281.22662	7.0
283.24179	4.9
287.20016	2.3
293.22598	2.3
295.24176	1.8
301.21683	3.3
327.23108	14.3
327.26251	1.6
329.24896	3.9
341.24731	5.4
343.26358	1.6
348.95413	1.4
349.28760	2.8
353.24759	2.6
377.32089	3.7
389.31967	16.6
391.33884	3.0
395.29398	4.4
395.33868	2.4
407.33139	55.8
408.33258	1.6
409.34494	5.3
417.31723	1.9
423.32614	11.2
425.34106	14.9
435.32629	65.3
436.32840	3.5
441.33795	1.4
453.33658	85.6
454.33914	2.8
461.48563	1.4
471.34729	65.3
472.34836	2.4
521.16010	1.6
613.23889	1.3
641.32666	1.5
665.31909	6.6
665.41095	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
51.44803	0.9
51.76974	0.8
53.03939	5.4
55.01870	1.8
55.05507	9.4
57.03432	2.3
57.07072	2.0
61.02922	2.1
67.05169	1.2
67.05505	14.4
69.03426	14.7
69.07063	10.0
70.36372	0.9
71.04984	4.3
73.02914	2.7
79.05496	10.4
79.87654	0.9
81.03409	10.2
81.07054	21.7
83.04970	3.3
83.08606	5.0
85.02904	31.9
85.07669	1.2
87.00832	13.4
91.03960	1.1
91.05477	14.4
93.07040	29.4
95.01325	3.6
95.04976	3.0
95.08601	75.2
97.02882	23.2
97.06509	2.7
97.10185	4.1
99.04450	8.8
101.02400	1.1
105.01862	28.4
105.07023	27.2
107.04944	3.1
107.08589	40.6
109.02875	17.8
109.06535	3.0
109.10148	28.7
111.04449	5.8
111.08079	2.8
115.05443	1.1
117.01814	1.5
117.03345	1.0
117.07018	4.0
119.08575	40.9
121.06549	1.9
121.09383	0.7
121.10133	31.8
123.08075	3.4
123.11699	11.4
125.05976	7.6
125.09641	4.1
127.03910	38.4
129.07033	2.9
131.04945	1.1
131.08588	11.5
133.06491	1.9
133.09111	1.3
133.10117	27.7
135.08055	2.8
135.11684	20.6
137.06024	2.3
137.09593	1.6
137.13277	1.6
139.07600	1.8
141.01833	4.3
141.06955	1.5
143.08586	6.1
145.04965	15.5
145.10107	26.3
146.04344	1.2
147.08064	1.3
147.11674	16.4
149.05937	1.1
149.09656	1.5
149.13249	10.8
151.07509	2.4
151.11275	1.2
153.09108	1.9
155.08678	1.8
156.09312	1.1
157.10146	9.1
158.10945	2.0
159.02913	3.8
159.11684	23.9
161.09621	5.7
161.13246	17.9
163.03947	7.0
163.11198	2.3
163.14807	8.9
165.09108	2.1
169.10101	3.0
171.11684	7.1
173.09593	2.0
173.13237	13.5
175.14815	11.3
177.09138	1.9
177.12798	1.5
177.16374	6.4
179.10680	5.7
183.11742	2.3
185.09593	1.7
185.13240	7.1
187.11221	3.1
187.14815	22.9
187.16441	1.6
189.16370	18.4
191.10670	4.2
191.14328	1.5
191.17982	5.3
193.12317	1.7
193.15886	3.3
197.13321	1.9
199.11241	1.6
199.14821	10.7
201.12791	1.9
201.16377	31.7
203.10667	1.4
203.17943	10.8
205.12262	4.8
205.15936	3.8
205.19449	1.2
209.13248	2.1
213.03900	8.2
213.12770	3.7
213.16350	7.9
215.17944	11.3
217.12212	2.7
217.15860	3.0
219.13855	2.8
219.17404	11.4
221.15343	1.4
225.07539	2.2
225.16522	1.9
227.14301	1.2
227.17920	2.1
229.19519	3.9
229.69978	1.8
231.04961	15.8
231.13803	6.7
231.17491	3.5
233.15387	1.9
233.18906	1.9
235.16969	3.1
239.17967	3.3
241.19586	3.7
243.21040	1.4
245.15411	2.4
247.16910	11.4
249.06059	4.8
249.18613	2.4
255.21042	5.1
259.16873	1.5
261.16080	1.0
261.18478	6.5
275.20004	2.0
281.22574	1.5
283.20624	7.8
283.23798	1.5
301.21606	100.0
302.21915	1.6
327.23270	5.7
329.24725	1.5
347.09637	1.8
377.31857	1.5
389.32062	4.9
391.22629	1.7
395.29449	3.3
407.32999	18.4
411.09293	1.7
423.32489	5.0
425.34097	4.7
435.32605	18.6
453.33606	29.6
471.34702	20.3
591.65356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01868	0.4
55.05489	0.1
63.02390	0.6
65.03952	0.2
66.04733	0.2
67.05520	0.2
69.03424	1.2
69.52314	1.3
70.10416	0.1
71.05001	0.2
77.03927	0.2
79.05489	1.6
81.03411	3.0
81.07053	0.6
85.02899	1.1
89.03912	6.1
91.05474	2.0
93.07047	0.4
94.04169	1.1
94.79160	0.1
95.04966	0.5
95.08608	0.5
97.02879	0.7
99.04445	0.4
103.05466	2.1
104.06247	0.2
105.07018	1.4
107.04942	2.6
107.08591	0.4
109.02889	1.0
109.06505	0.9
109.10158	0.3
111.18871	0.1
112.12763	0.1
115.05434	1.5
117.03376	7.5
117.06987	0.9
119.04906	0.2
119.08578	2.1
121.06496	0.2
121.10172	0.2
122.03638	2.5
123.04398	0.3
123.11673	0.2
125.02363	0.3
127.03910	0.6
128.06218	1.0
129.07002	1.0
131.04927	4.2
131.08572	0.2
132.05730	1.9
133.06425	0.7
133.10132	0.3
134.03696	0.2
135.04413	17.3
136.04730	0.3
137.05971	30.2
138.06294	0.5
141.06955	0.6
141.07964	0.1
143.04927	0.3
145.02840	12.4
145.06482	0.5
145.10118	0.3
146.03322	0.3
147.04367	0.5
147.08040	2.7
147.11635	0.4
149.05949	0.4
151.07469	0.3
155.04933	0.1
156.05717	0.3
157.06482	0.2
158.06073	0.2
159.08028	0.4
159.11731	0.2
160.05203	1.4
161.05969	3.7
163.03896	100.0
163.07515	8.9
164.04221	2.0
164.07875	0.2
167.07022	0.4
168.05710	0.2
169.06465	0.5
171.08034	0.4
175.07539	27.3
176.07893	0.8
181.04950	2.3
181.79608	0.2
184.05194	0.5
186.05357	0.3
186.06827	0.3
187.07521	0.8
189.07109	0.2
189.09024	0.3
190.07724	0.2
191.08553	0.8
199.07524	4.5
200.07797	0.2
201.07431	0.1
201.09036	0.7
201.16385	0.3
202.07762	1.5
203.06668	0.2
203.08540	3.0
203.18022	0.4
204.09126	0.3
205.06480	0.5
205.10164	0.2
218.07283	0.3
219.08046	1.3
220.08873	1.1
221.09476	0.2
230.07259	0.3
231.08055	3.9
232.08780	0.9
235.07457	0.3
235.11235	0.3
236.08327	0.2
237.09178	0.2
247.07532	0.8
248.08316	2.0
249.09062	0.4
251.10670	0.9
252.23105	0.3
253.23596	0.3
258.06705	0.3
259.07535	2.3
259.09970	0.2
260.08264	1.4
261.09152	0.5
263.10684	1.7
265.08517	0.5
275.06915	0.2
276.07755	1.2
277.08566	1.2
279.10138	0.9
280.10663	0.2
281.08218	0.2
291.10120	5.2
292.10828	1.5
293.08041	0.7
293.11111	0.3
295.13315	0.5
297.11618	0.2
307.08081	3.9
308.10547	0.3
309.11188	0.2
311.12738	2.2
312.12656	0.2
321.11252	0.3
323.12756	8.0
325.09103	2.2
325.14294	3.4
326.14627	0.2
335.12527	0.2
341.08786	0.2
341.13519	0.2
378.79990	0.2
415.64047	0.1
473.15323	0.2
485.15936	0.2
646.34888	0.2
665.13428	0.3
665.23914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
53.36560	0.8
55.01860	2.3
55.05502	2.0
57.03421	1.7
57.35999	0.9
59.04983	1.0
67.01876	0.9
67.05505	3.7
69.03429	8.2
69.07069	3.5
69.38197	2.6
69.38628	5.8
71.04984	2.8
73.02917	1.3
76.24283	0.8
79.05497	5.6
80.08548	0.8
81.03423	18.4
81.07076	7.0
83.04967	1.8
83.08630	0.8
85.02895	3.9
85.42788	0.8
91.05482	11.0
93.07058	10.6
95.04973	3.3
95.08611	8.2
97.02903	18.6
97.06527	5.8
99.04444	4.3
99.08113	0.8
105.07039	11.8
106.07391	1.1
107.04954	2.0
107.08604	15.6
109.02885	100.0
109.06525	6.8
109.10153	3.2
110.03152	1.1
111.04453	3.5
111.08080	4.5
113.06000	2.0
115.03943	0.9
117.07048	2.1
119.04920	2.2
119.08585	28.8
121.06529	3.2
121.10140	11.5
123.04454	1.6
123.08064	10.8
123.11678	2.7
125.09634	63.1
127.03925	74.9
129.07013	1.1
131.08601	1.7
133.06461	2.0
133.10135	24.2
134.10532	0.8
135.08047	2.1
135.11690	3.4
137.02357	8.5
137.05969	9.8
137.09613	2.5
143.08571	4.4
145.02867	1.0
145.04976	7.2
145.06459	1.8
145.10132	5.1
147.04390	3.0
147.08060	14.5
147.11723	1.2
149.09610	1.0
150.05487	8.2
151.05836	3.4
151.07581	1.1
151.11203	2.8
157.10176	1.0
159.08092	1.2
159.11690	1.6
161.02403	1.0
161.05927	1.5
161.09625	18.8
163.03929	5.1
163.11157	3.2
163.14842	1.1
165.05443	1.3
165.09132	19.2
167.07059	1.3
168.06564	3.1
171.08041	1.3
171.11720	2.1
173.02367	3.2
173.09686	2.0
173.13281	1.0
175.11224	1.4
177.05522	1.4
179.10701	12.0
183.11723	1.1
184.07298	1.7
189.09113	16.9
191.03371	1.1
193.05040	1.0
197.13156	1.1
198.26498	1.0
201.12865	0.8
203.10707	1.6
207.10164	23.1
215.07060	6.4
217.08597	1.1
217.12233	1.3
219.13936	1.0
221.08173	2.6
225.09001	1.9
225.11229	35.4
226.11391	1.0
229.15945	1.2
233.08069	0.9
245.05785	0.9
245.08134	3.8
249.11176	1.0
253.15863	1.3
259.09683	3.5
263.09149	3.3
267.12274	4.6
267.17532	1.1
271.16879	1.8
273.11237	1.4
285.18597	1.7
289.17966	2.3
291.12283	2.7
313.17950	4.0
315.12256	3.1
320.04523	0.9
331.19040	13.1
333.13251	8.1
349.20090	26.3
351.14401	12.2
367.21033	1.2
391.21210	13.8
421.22025	3.7
439.21213	4.1
451.23346	2.5
457.22226	50.2
458.22372	1.0
467.45520	1.0
475.23318	53.8
493.24423	18.9
507.14484	1.6
539.17529	4.3
629.29822	4.5
664.25342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54271	0.7
52.95838	0.9
55.05517	0.9
57.07082	50.7
67.19010	0.9
69.10097	0.8
71.04207	1.5
71.04544	1.6
72.43134	0.8
76.89374	0.8
88.93752	0.7
91.05482	6.0
95.04953	0.8
105.07066	1.6
119.08525	1.4
147.11723	5.5
153.07021	3.2
171.08121	1.0
233.03662	6.0
251.04700	14.1
279.64960	0.7
307.10904	1.4
327.07828	100.0
328.08206	2.3
363.17572	1.0
383.14099	75.8
384.14490	2.5
439.20377	75.7
440.20749	2.9
466.11557	0.9
495.26657	64.3
496.26859	2.6
551.32941	85.4
552.33612	4.4
607.39136	80.0
608.39600	4.4
663.45441	21.2
664.45416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90707	0.4
53.00296	0.5
53.03954	0.8
55.05495	2.1
56.96558	0.6
56.99579	0.4
57.03437	0.6
57.07069	1.1
59.05004	1.2
67.05501	1.8
69.03419	0.8
69.07061	3.2
69.52955	3.0
71.04991	15.2
72.14638	0.4
73.06557	1.3
77.03896	0.5
77.96337	0.4
79.05490	6.7
81.03424	0.7
81.07052	10.3
83.04990	0.7
85.02908	1.1
87.04473	0.6
91.05476	7.7
93.07043	76.4
94.07330	0.9
95.04967	1.7
95.08618	2.6
97.02919	1.1
97.06531	13.6
98.97581	1.0
98.98502	0.6
105.07027	2.6
107.08594	40.4
109.06546	1.2
109.10141	2.2
111.08070	0.9
116.98579	0.6
119.04923	0.9
119.08590	1.1
123.11705	4.8
134.99649	0.7
135.11690	100.0
136.12044	1.3
145.02827	0.7
145.84036	0.4
147.04401	5.8
153.12741	63.8
154.13077	1.1
158.99608	0.5
163.03963	0.6
171.42290	0.4
177.00795	0.5
177.05475	2.0
208.87035	0.4
219.01753	0.5
233.09370	36.4
234.09711	0.6
237.02737	0.8
251.10434	67.2
252.10756	0.8
264.53580	0.5
339.07602	1.1
357.08691	0.6
413.15521	0.6
420.88727	0.5
451.95377	0.5
471.11667	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	662.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01849	2.6
55.05511	15.0
57.03439	16.7
61.02908	3.3
65.03941	1.7
67.05505	35.0
69.03406	4.2
69.07064	10.5
70.61835	2.6
71.01350	2.8
71.05004	6.0
71.08612	1.0
73.02908	2.0
78.31920	1.0
78.38104	1.0
79.05492	37.4
81.03416	52.4
81.07054	28.1
83.04980	16.8
83.08141	1.4
83.08621	19.5
85.02910	17.8
85.06529	2.9
91.05480	27.1
93.07041	40.6
95.04973	26.2
95.08614	8.5
97.02877	5.1
97.06541	10.6
97.10161	9.3
99.04450	1.8
99.08086	1.7
105.07026	17.1
107.04916	5.1
107.08596	25.5
109.02857	5.6
109.06499	4.8
109.10141	4.1
111.04459	1.9
111.08076	8.4
113.05978	1.7
115.05431	1.5
117.07021	2.9
119.04851	1.2
119.08581	16.6
121.06520	2.7
121.10152	10.6
123.08039	1.6
123.11679	2.1
125.09633	5.4
127.03927	7.3
129.07008	6.5
131.08580	8.9
133.06572	2.5
133.10132	13.9
135.11687	34.2
137.09595	2.8
142.07753	2.5
145.10120	6.6
147.07980	1.7
147.11697	9.8
149.09598	4.2
153.12686	1.3
157.10146	13.5
159.11699	1.1
161.09573	1.1
163.03951	1.4
163.11183	7.2
165.09038	1.3
165.12694	2.7
175.11194	11.8
177.05403	1.2
181.12152	5.5
189.09087	1.2
193.12238	36.1
207.10040	1.3
211.13284	45.4
211.15274	2.3
225.11148	1.5
227.12720	1.6
239.16391	1.3
249.14854	1.1
255.15924	71.0
256.16351	1.4
267.02499	1.1
267.15930	27.3
285.16959	25.7
349.20035	1.3
421.25876	2.4
426.16553	1.3
447.27423	82.2
448.27499	2.1
449.78445	1.2
455.16592	2.3
465.28497	100.0
466.28799	3.1
469.18298	1.4
470.18848	1.3
483.15765	1.7
497.17676	3.2
498.18460	7.7
499.18375	1.4
525.17285	1.6
556.18500	1.2
557.19507	1.7
558.20129	1.3
570.19940	1.4
598.20154	2.7
630.22559	13.2
631.22577	2.7
662.25372	26.6
662.36096	1.1
663.24683	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	662.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.2
53.35405	0.1
55.05519	0.4
55.36079	0.2
65.03936	0.4
67.04066	0.1
67.05507	1.4
69.03426	0.4
69.07078	0.3
71.60501	0.3
79.05510	0.3
81.03435	0.2
81.07072	0.2
83.04953	0.1
83.08635	0.7
85.02924	0.4
89.06039	1.0
91.05499	0.2
93.07058	0.2
94.06572	5.0
95.04986	0.2
95.08607	0.3
96.04519	0.2
97.02885	0.4
97.10177	0.2
99.04465	0.2
100.11250	0.2
105.07027	0.3
106.06557	1.7
107.04946	0.2
107.07028	0.2
107.08611	0.3
108.08099	0.2
109.02894	0.5
109.10159	0.3
119.04971	0.2
119.08610	0.5
121.10139	0.2
122.06036	4.2
125.09644	0.3
126.92225	0.2
127.03920	0.6
133.08640	0.4
133.10078	0.2
138.05504	0.8
147.04430	0.4
147.08005	0.2
150.05511	100.0
151.05841	3.4
152.06030	0.4
152.07101	0.2
161.09581	0.2
165.09189	0.1
168.06570	40.9
169.06949	1.0
170.07025	0.3
177.05447	0.3
181.04988	0.1
189.09155	0.3
195.12321	0.4
209.08246	0.2
210.14911	0.2
225.11229	0.7
249.53476	0.2
264.83008	0.1
349.20108	0.2
351.27390	2.6
459.22348	0.2
518.19952	0.5
578.87573	0.2
626.29675	3.1
627.28363	0.2
644.30237	1.5
662.30884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01861	6.0
55.05505	6.5
57.03427	3.1
59.04984	1.6
60.22737	1.5
65.03924	4.4
67.05496	22.4
69.03422	14.4
69.07057	5.8
71.01344	2.4
71.04984	6.1
71.59477	2.5
73.02895	2.2
75.58328	1.6
79.05479	22.2
81.03414	28.5
81.07051	30.9
83.04966	7.2
83.08615	3.7
85.02885	5.4
85.06521	1.7
91.05473	29.8
93.07036	42.6
94.07371	1.5
95.04971	11.6
95.08598	27.1
97.02881	39.2
97.06510	5.4
99.04441	12.2
103.05463	2.5
105.03384	2.0
105.07023	68.9
107.04955	16.0
107.08583	53.6
109.02877	41.1
109.06508	19.6
109.10152	55.2
111.04433	21.3
111.08068	8.4
115.03960	2.5
115.05439	1.8
117.07008	12.1
119.04951	4.3
119.08572	74.3
121.02874	6.9
121.06516	14.2
121.10145	25.2
123.04413	15.2
123.08056	14.5
123.11685	8.8
125.05977	4.9
125.09650	1.6
127.03912	85.4
128.04239	2.2
128.06215	6.8
129.07004	11.3
130.07794	2.0
131.08565	19.6
133.06506	7.9
133.10120	60.6
135.04356	3.1
135.08043	37.7
135.11684	12.1
137.05919	2.7
137.09595	14.1
139.07539	2.6
141.06996	4.5
142.07753	7.4
143.08562	25.1
143.41446	1.6
145.04935	4.4
145.06471	5.9
145.10106	21.5
146.07222	2.0
147.04419	3.0
147.08040	37.0
147.11685	11.2
149.02344	13.1
149.05968	2.6
149.09586	13.8
149.13216	2.6
151.03894	26.3
151.04997	1.8
151.11159	6.0
154.07852	1.8
155.08531	4.4
156.09343	5.6
157.06512	4.0
157.10155	12.5
159.08096	7.7
159.11694	10.1
161.05954	1.8
161.09607	42.1
161.13237	4.2
163.03900	13.4
163.07523	2.8
163.11162	33.6
165.07010	3.4
165.09096	36.8
166.07773	9.0
167.08522	4.0
169.10124	8.0
171.08028	8.8
171.11694	16.1
173.09595	7.0
173.13243	2.5
175.11206	9.0
176.11839	2.0
179.10655	27.9
181.10098	21.9
183.11699	4.3
184.08784	2.8
185.09613	31.6
185.13251	2.3
187.11163	7.0
187.14799	1.9
189.09091	25.8
189.12730	10.3
191.10654	10.9
193.04948	7.0
193.10123	1.8
195.11691	3.8
197.09631	4.8
199.11169	86.1
200.11659	1.9
201.12724	1.9
203.10672	8.4
207.10153	31.6
209.11754	2.4
213.12793	3.9
215.10727	4.8
217.12230	43.2
223.11147	1.8
225.11191	100.0
227.12784	3.0
227.17918	1.7
231.13704	3.6
235.13257	15.0
237.16434	2.6
249.11241	2.4
255.17632	2.2
259.13306	3.7
267.12280	11.4
269.18927	1.8
273.18402	1.9
277.14270	2.8
279.12222	3.6
281.15338	3.3
289.14526	2.0
297.13345	3.2
297.18417	9.5
309.18478	1.8
313.18002	3.5
315.19534	42.7
316.19846	1.6
333.13248	6.9
333.20523	4.1
336.38968	1.9
341.21194	5.6
351.14441	8.6
351.18961	2.9
357.20517	25.1
359.19989	2.2
369.20575	18.2
375.21512	6.7
385.09009	2.1
393.20569	5.7
395.21603	2.0
403.09915	2.3
405.20514	8.1
411.09232	3.1
413.22769	2.9
423.21616	22.5
429.11725	6.4
441.22675	55.0
442.22961	2.6
459.23874	17.9
473.14575	5.3
477.24542	3.1
560.21729	3.2
620.24481	4.4
627.27698	2.4
662.24603	5.3
662.32245	2.8
663.24036	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	662.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
53.00291	0.5
53.03939	3.5
53.10149	0.4
55.01862	1.2
55.05504	1.5
57.03417	1.1
59.04986	0.5
61.61642	0.4
67.05494	2.2
67.59004	0.4
69.03421	7.4
69.07066	0.9
69.51775	0.4
69.53235	3.8
71.05000	2.1
73.02891	0.5
79.05486	3.4
80.79760	0.6
81.03413	17.1
81.07048	6.1
83.01316	1.2
83.04956	1.5
83.08620	0.6
84.83250	0.5
85.02895	1.9
91.05469	6.0
93.07043	9.2
95.04943	1.8
95.08603	5.8
97.02886	17.1
97.06525	1.0
99.04444	4.2
100.75171	0.5
103.05447	0.6
105.07025	11.9
107.04951	1.2
107.08590	12.6
109.02871	100.0
109.06522	6.2
109.10133	2.8
110.03138	0.6
111.04424	2.8
111.08068	3.9
113.05997	0.8
115.03929	0.6
117.03455	0.4
117.07027	1.3
119.08569	28.1
121.06524	2.7
121.10142	10.5
123.08063	9.6
123.11694	3.5
124.08833	1.4
125.09619	71.6
126.09946	1.3
127.03906	65.6
128.04227	0.9
128.06215	0.9
129.06970	0.7
130.07724	1.0
131.08562	1.6
133.06488	1.3
133.10120	27.5
135.08037	0.8
135.11674	4.4
137.05966	1.6
137.09604	4.7
139.07506	0.7
143.08566	4.5
145.04932	7.5
145.06396	0.9
145.10097	2.1
146.07275	0.6
147.04422	0.8
147.08034	13.9
148.08650	0.5
149.09641	0.8
151.07538	1.7
151.11169	3.7
156.12848	0.4
157.10123	1.0
159.11656	1.0
161.08276	0.9
161.09604	18.5
162.10094	0.4
163.03918	1.2
163.07498	0.6
163.11201	2.1
165.09105	16.9
166.09370	0.6
167.10625	0.5
169.10040	0.6
171.08012	0.5
171.11610	0.5
173.13199	1.1
174.92392	0.4
175.11116	0.9
177.09079	0.5
179.09073	0.9
179.10649	15.3
181.12247	0.5
183.11687	0.7
185.13173	0.6
187.11163	0.6
189.09090	16.0
193.04956	1.0
199.10983	0.5
201.09187	0.5
201.12697	0.6
203.10745	0.8
207.10150	22.1
209.11630	0.5
211.11116	0.6
225.11189	42.4
225.16029	1.0
229.15973	0.7
233.11804	0.5
243.17490	0.5
249.11166	1.1
253.15872	0.8
267.12259	4.3
267.17676	0.5
271.16876	1.3
285.18356	1.3
287.12329	0.7
289.17844	3.3
295.16809	0.6
297.13467	0.8
303.19498	0.9
313.17807	2.2
315.12216	2.3
331.19012	13.0
333.13309	7.5
349.20044	15.9
350.20279	0.5
351.14386	9.3
367.20999	1.3
369.15668	0.7
391.21072	10.0
409.22232	1.0
421.22229	3.4
439.20966	1.9
445.22437	0.6
457.22195	33.5
458.22397	1.1
475.23264	26.0
476.23575	0.7
493.24118	3.3
587.60376	0.5
636.39734	0.5
639.10248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15284	1.7
53.03942	1.8
55.01858	2.2
55.05515	7.2
56.96558	1.6
57.03440	2.8
67.05499	17.8
69.03429	8.9
69.07069	9.2
71.04984	4.8
71.59927	2.5
79.05501	12.3
81.03389	3.8
81.07054	26.8
83.04987	6.9
83.08611	3.9
85.02903	6.6
85.06548	3.0
87.04485	1.7
91.04968	1.9
91.05476	15.2
93.07051	14.4
95.04961	5.1
95.08604	22.0
97.02893	100.0
97.06516	9.6
97.10172	2.6
98.97571	2.2
99.04452	2.7
99.08077	2.5
105.07028	19.7
107.04959	2.9
107.08606	9.7
109.02859	3.7
109.06464	2.9
109.10166	6.3
111.04434	3.6
115.03926	12.4
116.98617	2.3
117.07019	5.4
119.08588	16.1
121.06492	5.4
121.10132	4.7
123.04404	2.1
123.08061	4.1
125.06007	4.3
125.09643	4.3
127.03910	4.7
129.06992	2.6
131.04921	4.0
131.08575	10.0
133.06477	5.6
133.10149	9.7
134.10506	1.7
135.08064	4.4
135.11676	3.5
137.05920	3.4
137.09630	2.3
137.13260	1.7
139.07562	2.7
143.08601	2.2
145.02879	2.8
145.06448	2.9
145.10114	6.5
147.08022	3.2
147.11716	3.0
149.05989	4.0
149.09593	3.0
150.05507	13.8
151.07597	3.7
153.09090	2.7
155.08569	2.7
155.10658	1.4
157.10193	3.4
159.08046	3.6
159.11662	4.9
161.05925	8.3
161.09605	3.5
161.13231	11.0
163.03911	2.7
163.07541	4.6
163.38437	1.7
165.09184	2.1
167.07076	1.6
167.08456	1.5
168.06560	6.6
169.10167	2.2
171.11650	2.2
173.09642	2.0
173.11852	1.7
173.13287	3.0
175.07571	1.6
177.05460	5.8
177.09114	2.2
177.12871	1.8
179.10632	1.4
179.14319	5.4
179.25426	1.3
181.04970	2.0
183.11656	2.0
191.10683	2.2
193.08607	5.1
197.15227	2.4
199.14757	1.6
209.15401	2.3
213.14816	3.3
225.14845	3.8
229.16084	1.7
237.14825	4.0
239.11829	1.6
239.14343	3.0
245.15331	2.7
247.16945	2.2
257.15424	6.5
259.09885	2.3
263.16406	8.3
275.16455	14.3
281.17542	12.4
293.17487	35.3
299.07813	1.5
309.06183	1.9
311.18527	63.5
319.15790	1.5
329.19583	22.6
371.14288	10.1
371.64523	3.2
422.04620	1.6
662.38428	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	661.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01855	4.8
55.05299	1.5
55.05512	16.1
57.03186	1.9
57.03434	23.3
57.07060	4.9
59.04982	2.3
61.02925	70.4
67.05502	44.7
69.03429	31.7
69.07066	14.0
70.15950	7.3
71.01343	2.7
71.04978	8.0
71.08609	2.2
73.02918	28.8
75.04492	2.1
79.05487	13.9
81.02973	2.3
81.03418	27.1
81.07051	45.8
83.04967	4.7
83.08624	12.3
85.02903	97.8
85.06525	1.6
87.04438	4.1
91.03952	54.0
91.05472	12.9
93.07040	17.9
95.04959	6.7
95.08057	2.0
95.08613	31.7
97.02888	74.9
97.06517	4.6
97.10158	6.3
99.04446	11.3
100.07806	1.5
101.02364	9.5
103.03941	9.5
105.07018	10.3
107.08595	10.2
109.02875	12.8
109.06487	2.6
109.10152	17.8
111.04436	5.4
111.08056	2.4
111.11739	3.0
115.03934	8.3
117.05481	3.2
117.07040	1.8
119.08540	8.9
121.09415	1.5
121.10126	9.1
123.08071	1.7
123.11707	7.2
125.09621	1.8
127.03912	32.4
129.05452	6.6
131.08543	3.9
133.10127	9.3
135.11667	5.4
137.13274	4.6
145.04955	25.6
145.10075	2.8
147.11642	6.4
149.13258	4.6
151.11166	2.1
151.14821	3.0
155.07036	1.7
155.08525	2.0
157.10043	1.9
159.06474	3.6
159.11708	1.7
161.09612	1.8
161.13239	3.6
163.06027	7.9
163.14818	4.4
165.12625	2.0
165.16342	2.2
171.06567	3.6
173.13234	2.9
175.14839	3.6
177.12474	1.7
183.06514	14.6
185.13245	1.7
191.17953	1.7
201.07555	10.7
201.16412	1.9
213.16344	1.6
219.08644	1.8
245.22556	10.9
261.22003	2.9
263.23682	22.3
273.18265	1.6
290.27652	1.6
305.24869	3.1
319.26096	1.8
329.24796	2.0
335.25638	4.5
337.27356	100.0
353.24762	2.4
365.26852	3.0
371.25720	6.8
379.28192	2.3
389.26572	2.6
407.27881	2.0
445.29572	8.0
463.30383	5.7
481.31549	15.1
499.32843	3.1
661.37830	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01870	1.6
55.05515	1.2
62.56522	0.5
63.11985	0.6
65.03956	0.6
67.05499	2.0
67.84480	0.5
69.03432	8.3
69.07066	1.4
70.73790	1.8
71.04999	3.1
73.23531	0.5
79.05487	4.5
81.03423	19.0
81.07062	8.2
83.01335	1.0
83.04978	2.1
83.08623	0.9
85.02894	1.9
85.70921	0.5
87.04455	0.8
90.08432	0.5
91.05489	7.0
93.07053	11.1
95.04971	1.5
95.08604	5.8
95.71008	0.5
97.02891	15.0
97.06554	1.0
99.04453	3.7
103.05502	0.6
105.07032	11.8
107.04980	1.6
107.08595	11.8
109.02885	100.0
109.06517	5.9
109.10152	4.1
111.04446	4.1
111.08082	4.1
113.05977	1.1
115.03979	1.1
117.07022	1.1
119.08585	30.1
120.08891	0.9
121.06523	3.0
121.10160	10.3
123.04461	0.6
123.08076	9.5
123.11683	3.2
124.08887	1.6
124.46871	0.6
125.05991	0.9
125.09636	72.6
126.09985	0.6
127.03921	64.7
128.04257	0.8
128.06230	1.0
129.06990	0.6
131.08568	1.6
133.06491	1.8
133.09125	1.5
133.10130	24.5
135.07994	0.6
135.11720	3.8
137.01349	1.2
137.02351	15.2
137.03400	1.6
137.05968	1.7
137.09607	4.3
139.28572	0.5
143.08568	4.4
145.04988	8.9
145.06236	0.7
145.10117	3.2
147.06929	1.1
147.08051	15.5
147.11693	0.9
148.08620	0.6
149.05937	0.8
149.09641	1.0
151.07565	1.4
151.11189	4.1
155.08583	0.7
157.10080	1.6
159.08105	1.1
159.11719	0.9
161.05991	1.0
161.09627	18.3
163.07529	0.7
163.11172	2.2
165.09116	18.6
171.08005	0.9
171.11667	1.0
173.09691	0.8
175.11212	0.6
179.10686	13.9
185.13185	0.7
187.11212	0.9
187.14874	0.9
189.09117	15.5
193.04919	0.6
207.10172	19.1
215.14352	0.6
225.11223	45.3
226.11397	0.8
229.15851	1.4
233.11798	0.6
245.04343	0.6
249.11348	0.9
253.15895	0.9
267.12299	5.1
271.16916	2.0
285.18265	0.9
287.12650	0.6
289.18109	3.1
295.17068	0.8
297.13580	1.1
303.19495	1.1
313.17990	2.6
315.12158	2.5
331.19037	10.4
333.13309	5.3
349.20126	8.4
351.14383	7.7
391.13315	0.6
391.21091	5.3
421.21811	2.0
439.20969	1.3
440.69781	0.5
457.22183	14.1
458.22827	0.7
475.17163	0.8
475.23312	10.5
493.24323	1.3
587.09686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01896	1.2
55.05508	1.8
57.03409	1.1
60.89641	0.9
63.78087	1.0
65.03933	2.4
67.05504	4.6
69.03432	8.8
71.04982	2.4
71.60608	1.9
79.05511	5.3
81.03419	16.9
81.07063	7.3
83.01327	1.2
83.04976	2.1
83.08624	1.5
85.02918	1.7
91.05479	8.6
93.07045	12.2
94.06552	1.5
95.04972	4.0
95.08609	6.7
97.02895	17.8
99.04459	4.5
101.10184	1.0
103.05492	1.8
105.07032	13.6
107.04948	1.6
107.08605	13.4
109.02884	100.0
109.06525	6.8
109.10171	3.3
111.04449	3.4
111.08096	4.5
113.06003	1.4
116.68583	0.9
117.07033	2.3
119.04949	0.9
119.08581	30.7
121.06499	3.4
121.10137	13.2
123.08047	8.5
123.11719	3.7
125.06023	1.2
125.09633	73.1
126.09988	1.4
127.03919	70.3
128.06253	1.6
131.08569	1.6
132.10434	1.1
133.06502	2.3
133.10138	26.5
135.11699	3.8
137.05980	2.7
137.09650	3.3
141.05518	1.4
143.08556	5.2
145.04974	7.5
145.06551	1.2
145.10089	2.2
147.04448	1.4
147.08057	17.6
149.06013	1.3
150.05501	25.7
150.06671	1.6
151.03923	49.6
151.05905	6.0
151.07545	2.0
151.11230	2.5
157.10069	1.0
159.11671	1.3
161.05980	3.0
161.09618	18.3
161.10931	1.4
163.11195	2.5
165.09120	20.0
168.06593	8.7
169.05019	1.4
169.06836	1.9
171.08067	1.6
171.11728	0.9
173.09657	1.6
173.13287	1.3
175.11351	1.2
177.05373	1.3
179.10667	16.3
181.04926	1.1
188.22731	1.0
189.09125	16.0
193.08568	1.6
207.10172	22.3
209.73242	1.0
215.10611	1.3
225.11224	46.1
267.12344	4.6
271.16907	1.5
285.18701	1.6
289.18011	2.7
295.16946	1.2
313.17972	3.1
315.12213	1.6
331.19083	12.4
333.13428	4.0
335.09543	3.6
349.20135	9.9
349.27255	1.6
351.14194	7.1
363.14374	1.8
384.86420	1.1
391.21408	5.0
421.22116	2.6
457.22293	10.6
475.23251	7.3
493.23740	1.7
525.00537	1.1
630.42664	1.1
643.28937	2.5
644.58789	1.1
661.28253	1.5
661.37805	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	661.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01867	1.7
55.05499	1.8
57.03427	0.7
61.47327	0.7
62.44470	0.6
67.05491	2.1
69.03425	6.9
69.07052	1.0
69.38161	6.3
70.06537	0.7
71.04998	1.8
72.29596	0.6
79.05488	4.4
81.03416	16.5
81.07048	7.0
83.04981	2.3
85.02901	2.4
89.41324	0.7
91.05470	7.4
93.07041	11.1
95.04965	2.4
95.08614	6.7
96.08134	1.1
97.02886	14.7
97.06509	1.2
99.04459	2.5
103.05476	0.7
105.07028	13.4
107.04950	1.8
107.08588	10.8
109.02878	100.0
109.06509	4.9
109.10160	3.1
110.03284	0.7
111.04426	2.9
111.08086	5.3
113.05968	0.9
117.07029	1.3
119.04968	1.1
119.08578	28.3
121.06500	2.8
121.10136	10.4
121.67265	0.6
123.08060	8.4
123.11720	2.4
124.08849	0.9
125.09626	67.7
127.03913	61.2
131.04974	0.7
131.08565	1.8
133.06509	1.8
133.10129	21.9
135.08029	1.7
135.11703	3.0
137.06004	1.7
137.09547	3.3
138.09111	1.5
143.08578	3.3
145.02899	0.8
145.04959	7.8
145.10136	2.7
147.04446	3.4
147.08037	13.0
147.11719	0.9
148.08701	0.9
148.61166	0.7
151.03909	19.3
151.05011	1.5
151.07533	1.3
151.11145	2.7
157.01761	0.7
159.11678	1.3
161.09613	16.3
163.03891	0.8
163.11194	1.3
165.09113	18.6
166.08644	1.8
169.04919	1.7
172.03900	1.4
173.09608	0.9
175.11176	1.1
179.10658	13.3
181.04965	0.7
189.09087	11.7
193.10333	0.7
204.06541	1.0
204.45374	0.7
207.10155	19.0
225.11220	39.8
229.16035	0.8
243.17346	0.7
257.19174	0.8
267.12317	3.6
271.17020	1.3
289.17966	2.5
297.13260	1.0
303.19638	1.1
313.17966	1.9
315.12259	1.0
325.11621	0.8
331.19012	11.6
333.13370	3.9
349.20111	8.4
351.14481	5.9
357.14352	1.1
373.13992	2.2
391.21008	4.3
421.22498	1.5
439.20856	1.4
457.22244	10.7
475.23294	6.2
506.19266	4.1
538.21796	1.0
625.25623	0.8
643.27667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
53.94291	0.6
55.01875	1.5
55.05508	1.5
55.85453	0.6
56.76684	0.6
58.05287	0.6
67.01852	1.4
67.05511	2.8
69.03432	7.8
69.07075	1.3
71.04977	1.8
71.57272	1.0
73.02908	1.0
73.07986	0.6
79.05481	4.7
80.67282	0.7
81.03422	17.3
81.07047	6.1
83.01326	0.7
83.04971	2.4
83.08611	0.8
85.02897	4.6
85.06503	0.6
91.05488	8.0
93.07046	10.6
95.04967	2.5
95.08604	6.0
97.02892	19.4
97.06529	1.2
99.04446	3.6
103.05473	1.2
103.20631	0.6
105.03391	0.9
105.07031	15.0
107.04983	0.9
107.08603	13.2
109.02882	100.0
109.06512	6.8
109.10169	2.7
111.04430	4.3
111.08112	5.4
113.06005	1.3
115.64696	0.6
117.06998	0.8
119.08579	33.0
121.06530	3.2
121.10143	11.1
122.09662	1.2
123.04421	2.5
123.08067	9.1
123.11722	2.4
124.08849	1.6
125.05983	1.2
125.09631	73.3
127.03918	70.1
128.06215	1.0
129.06990	0.7
131.08565	1.6
133.06496	2.1
133.10132	27.9
135.08029	1.2
135.11697	3.7
137.06023	1.6
137.09628	3.4
143.08556	4.0
145.04970	9.0
145.10130	3.0
146.07239	0.7
147.04500	0.7
147.08040	17.9
147.11665	0.9
149.09618	1.1
150.09087	3.3
151.03923	8.1
151.07579	1.9
151.11218	3.7
154.74292	0.7
155.05867	0.7
155.08601	0.7
157.10118	1.2
159.11685	1.4
161.05951	1.0
161.09625	19.8
161.10924	1.3
163.07567	1.0
163.11212	2.7
165.05478	0.8
165.09113	21.5
169.04973	24.9
171.08058	1.1
173.09593	1.0
175.11235	1.0
179.10689	14.9
187.11183	0.8
189.05412	1.7
189.09102	14.9
193.04994	2.1
193.08554	0.7
207.10176	23.0
211.06030	2.7
217.05014	3.0
221.10301	0.8
225.11218	47.7
229.15871	0.8
235.06012	5.1
253.16023	1.1
259.06027	2.5
265.09747	0.9
267.12289	7.5
267.17432	0.7
271.16934	2.9
277.07062	2.0
285.18616	1.2
289.17892	4.0
293.09180	0.8
295.16913	1.0
297.13464	1.3
313.18106	2.6
315.12305	2.0
321.08850	0.9
331.19003	14.1
333.13245	5.2
339.09827	1.3
349.20123	11.1
351.14417	8.4
367.20932	1.2
389.13559	2.1
391.21201	6.4
421.22086	2.0
439.21255	1.4
446.16724	0.8
457.22247	16.3
474.16583	2.4
475.23285	11.9
493.24615	1.5
506.19232	1.6
524.19885	0.8
611.24799	2.0
629.25427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76452	1.4
55.05507	2.1
63.61007	1.4
66.54945	1.1
67.05491	5.6
69.07061	2.6
69.58461	10.5
71.08617	1.8
79.05474	4.5
81.03408	1.7
81.07070	6.9
86.09698	1.8
89.06019	2.7
91.05467	4.8
93.07032	5.1
95.08601	4.6
105.07021	2.8
107.08607	2.4
109.06541	1.6
109.10153	2.8
119.08556	4.1
121.10156	3.4
126.57320	1.4
131.08554	3.4
133.10147	2.5
135.11626	2.0
147.11679	1.4
149.09615	1.5
178.04280	1.3
179.14079	1.4
184.07312	3.2
217.15945	1.9
264.67847	1.5
273.18488	3.2
291.19571	5.1
335.25671	3.9
374.22549	1.5
412.15402	5.7
413.15881	2.1
414.18317	7.0
415.18509	2.0
426.16614	2.4
427.17816	9.3
428.18350	1.7
430.16525	1.8
432.18973	3.4
439.46188	1.4
441.19394	16.7
442.20059	15.2
459.20313	1.6
467.17834	1.5
469.18777	48.7
470.19107	8.2
471.16660	2.3
472.17200	7.7
473.18057	8.9
474.18466	2.2
486.18695	4.1
487.19888	1.7
495.16541	5.0
496.17056	4.9
497.17291	2.2
499.20303	1.7
501.21176	5.9
509.18167	5.7
510.18536	4.3
511.19617	1.7
513.17676	29.5
514.17633	14.2
523.19830	1.9
525.21368	26.5
526.21771	20.6
527.19745	4.0
528.19470	6.3
543.22296	14.6
556.18970	22.6
563.39441	6.2
574.24292	56.4
575.24084	2.7
586.20563	2.5
601.22906	20.0
602.23267	34.8
603.23224	2.3
629.22430	100.0
630.22772	8.0
633.24786	3.1
661.25513	5.2
661.42108	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48861	0.2
51.02375	0.2
51.15368	0.2
53.03948	1.5
55.01862	1.0
55.05512	0.2
55.17059	0.3
57.03411	0.4
67.01852	1.2
67.05493	0.4
68.99783	0.7
69.03429	3.8
69.07070	0.4
70.06586	0.9
70.61522	0.8
70.61868	0.4
71.01354	0.7
71.04993	1.2
72.08137	0.3
77.03938	0.4
78.04697	0.4
79.05511	0.6
81.03415	6.2
81.07059	0.8
83.01345	2.0
83.04980	0.4
85.02906	2.9
86.09713	0.5
87.00826	0.5
89.03909	1.0
91.05476	1.0
93.07059	0.5
94.06581	0.3
95.04970	0.8
95.08585	0.5
97.02888	9.6
97.06541	0.3
99.04462	2.0
103.05437	0.4
105.03397	1.7
105.07032	0.7
106.04156	0.9
106.55687	0.2
107.04945	0.5
107.08585	0.6
109.02876	12.3
109.06497	0.3
109.10165	0.4
110.03165	0.3
111.00793	0.3
111.04435	0.4
115.03920	0.7
115.05451	0.5
117.03368	1.5
117.07052	0.4
119.04951	0.5
119.08584	1.1
121.06530	0.4
121.10165	0.6
122.06040	0.2
123.04446	0.9
123.08094	0.3
125.02374	1.0
125.09628	1.2
126.03136	1.3
127.03910	100.0
128.04282	0.7
129.06996	0.4
131.04942	0.7
133.02849	5.8
133.06456	0.4
133.10129	0.6
134.03629	17.4
135.04462	1.8
138.09096	0.3
143.04886	0.3
145.02844	2.8
145.03889	0.4
145.04977	0.5
145.06512	0.4
146.03568	0.2
147.04396	3.6
147.79053	0.2
148.60802	0.3
149.05995	0.4
150.05507	1.0
151.03922	0.8
151.11192	0.4
152.04633	0.3
157.06500	0.3
159.04436	0.4
160.05215	0.8
161.02332	4.3
161.05983	0.9
161.09576	0.4
162.03117	6.2
163.03906	12.8
165.09103	0.3
166.08585	0.5
167.07065	3.4
168.07393	1.0
171.04431	1.0
173.02335	1.7
173.05988	0.4
175.03903	0.8
177.05482	0.7
179.03535	0.7
180.04218	1.4
181.04984	1.8
182.05292	0.4
187.03897	13.4
188.04399	0.3
189.05484	1.9
190.04916	0.4
191.06995	0.3
197.06015	0.4
199.03914	1.3
201.05527	1.3
205.05038	0.6
205.08623	0.3
207.06509	0.3
207.10158	0.5
209.07974	0.4
213.01939	1.3
213.03851	0.6
213.05554	0.7
215.03406	0.5
217.04907	2.0
221.08090	0.5
225.11130	0.6
227.03424	1.0
231.06660	0.3
233.07971	0.4
241.04942	1.4
243.06546	0.3
245.02133	0.5
245.04468	6.3
259.05969	1.5
269.04471	4.4
287.05490	52.8
288.05899	0.8
305.06555	3.2
306.07355	1.1
317.27295	0.3
341.10992	0.3
357.14008	0.3
371.11099	0.3
395.07990	0.4
410.08450	1.6
413.08694	0.4
417.14795	0.4
431.09744	2.7
432.40640	0.3
449.10587	0.3
506.19278	1.1
517.09778	1.1
535.10797	30.5
536.11200	0.5
543.90436	0.3
629.25378	0.5
661.24658	0.9
694.59583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
54.69669	2.7
67.05499	5.1
68.69102	2.8
69.03429	6.3
69.07066	5.0
71.04987	3.4
72.18600	2.9
79.05495	8.1
81.03417	17.8
81.07048	11.9
91.05482	12.2
93.06540	2.7
93.07043	15.2
95.05000	3.6
95.08597	11.7
97.02897	21.7
97.06532	3.5
99.04443	4.1
105.07027	17.3
106.84878	2.8
107.08607	13.6
109.02124	5.0
109.02881	100.0
109.06531	5.2
109.10132	6.4
111.04416	4.7
114.10198	3.2
119.08586	28.4
121.06516	3.5
121.10136	11.4
123.04476	3.3
123.08057	8.2
123.11729	4.1
125.09640	62.7
127.03926	62.0
133.06445	2.9
133.10135	29.9
135.11737	5.8
137.09622	4.5
143.49072	3.0
145.02798	3.2
145.04973	8.6
145.10089	6.5
147.08083	16.2
148.08426	3.4
151.11186	5.6
161.09624	21.0
163.11217	3.4
165.09148	21.2
179.10582	14.5
189.09137	15.2
207.10098	23.9
225.11238	28.5
255.15834	3.7
304.71359	3.1
331.18948	11.6
333.13269	6.0
349.20126	16.2
351.14401	12.0
372.13342	3.3
391.21109	9.0
421.22360	3.7
439.21378	4.8
457.22226	40.8
463.27060	7.8
475.23282	26.3
493.24402	5.0
559.21948	5.1
661.24847	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	660.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01870	0.9
55.05511	2.7
57.03428	1.0
59.05018	0.9
67.05498	3.4
69.03429	6.7
69.07063	1.6
71.04989	1.3
71.57314	1.1
73.02888	0.7
78.24642	0.6
79.05501	4.1
79.05888	0.6
79.97215	0.7
81.03416	18.6
81.07056	6.8
83.04973	2.4
83.08585	0.7
85.02886	2.3
88.87925	0.7
91.05470	5.8
93.07044	8.9
95.04954	2.5
95.08611	5.7
97.02892	17.3
97.06524	1.4
99.04458	2.1
103.05487	0.7
105.07035	10.3
107.04963	1.5
107.08593	12.8
109.02879	100.0
109.06493	7.1
109.10185	3.6
110.03220	1.2
111.04436	2.4
111.08086	5.6
113.05981	0.7
117.07005	1.1
119.04939	0.6
119.08576	29.3
121.06496	2.6
121.10136	11.1
123.08072	9.6
123.11712	2.0
124.08871	1.2
125.09628	70.6
125.25720	0.7
126.09998	1.3
127.03914	65.6
128.04230	0.9
128.06143	0.8
129.07002	0.7
131.04921	1.2
131.08597	1.5
133.06503	1.7
133.10132	26.6
135.08060	0.8
135.11722	3.3
137.05986	1.8
137.09607	2.6
143.08542	4.6
145.04962	8.7
145.06082	0.8
145.06500	0.7
145.10123	2.3
147.08044	14.2
147.11816	0.7
149.06087	1.0
149.09624	1.3
150.09120	2.0
151.07544	2.8
151.09454	0.8
151.11183	3.1
159.11743	0.7
161.09613	18.3
163.03973	2.4
163.07605	1.2
163.11195	2.1
165.09113	21.0
169.04922	0.7
171.08118	1.1
171.11728	0.8
171.75821	0.6
173.13301	1.1
175.11180	1.0
179.10680	14.4
184.07384	1.1
189.09111	15.3
189.10760	1.3
193.12135	0.7
199.11212	0.7
203.10681	1.0
207.10165	22.2
225.11217	39.4
225.16176	1.1
229.15987	1.2
249.11183	1.4
267.12189	3.1
267.17361	0.8
271.16968	2.0
285.18320	1.1
289.18076	2.3
303.19580	0.9
313.18021	2.4
315.12350	2.7
331.19006	14.1
333.13327	6.6
349.20102	18.1
351.14365	10.5
367.21188	1.0
391.21194	10.6
392.21964	0.7
411.21756	0.8
421.21936	2.4
429.16467	0.7
439.21399	3.4
455.14197	0.8
457.22202	40.6
458.22849	1.8
472.15063	0.9
473.15411	3.0
475.23331	34.1
476.23840	1.4
493.24008	4.2
505.18149	1.2
610.23566	2.0
624.25610	0.7
642.26367	4.0
661.24475	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46513	0.1
53.03966	0.3
55.01876	0.2
55.05523	0.1
57.03446	0.2
60.68832	0.1
65.03956	0.2
67.05505	1.7
69.03424	0.6
69.07095	0.1
70.06584	0.1
70.85963	0.3
71.04986	0.1
73.02926	0.1
77.03944	0.1
77.24581	0.1
79.05525	0.5
81.03429	0.7
81.07051	0.6
83.05000	0.2
85.02917	1.1
85.06527	0.2
86.03258	0.1
87.00832	0.3
91.05496	0.4
93.07047	0.6
94.06572	4.6
95.04981	0.2
95.08609	0.4
97.02906	0.7
97.06551	0.2
99.04452	0.3
99.08064	0.1
105.01871	0.2
105.07042	0.5
106.06564	1.6
106.07258	0.2
107.04948	0.2
107.08595	0.4
109.02890	1.5
109.06538	0.3
109.10170	0.3
109.70203	0.1
110.03188	0.2
111.04439	0.1
117.87744	0.1
119.08606	0.7
120.08867	0.1
121.06523	0.2
121.10188	0.3
122.06039	4.1
123.06837	0.3
123.08096	0.2
125.09634	1.1
127.03056	0.1
127.03920	2.0
128.04282	0.2
133.10136	0.7
134.10356	0.1
135.11673	0.3
137.02351	0.3
137.06004	0.3
137.09631	0.1
138.05518	1.7
139.03987	0.1
143.08583	0.1
145.02757	0.2
145.04970	0.3
145.06458	0.1
145.10089	0.2
147.04373	0.2
147.08101	0.2
147.11696	0.2
150.05511	100.0
151.05891	2.2
151.11278	0.1
153.01802	0.1
157.10164	0.2
159.02921	0.1
159.11710	0.2
161.09619	0.4
161.13187	0.2
163.03935	0.2
163.11221	0.1
165.09111	0.3
167.07047	0.3
168.06567	29.6
169.06909	0.6
177.05463	0.4
179.10686	0.2
181.04955	0.6
182.05405	0.2
189.09111	0.3
193.08621	0.1
207.10107	0.3
217.15759	0.1
218.16084	0.1
225.11192	0.4
229.04909	0.2
233.08051	0.2
235.16939	1.6
236.17303	1.8
301.21570	0.4
302.04166	0.1
303.01529	0.2
303.04984	4.2
319.22220	0.1
331.18994	0.2
349.20026	0.2
353.10266	0.1
392.80920	0.1
422.18112	0.6
457.21960	0.4
475.22775	0.3
484.22244	0.1
526.86395	0.1
624.27612	0.2
642.29132	9.1
643.29700	0.7
660.28998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93769	0.2
62.23098	0.2
71.58250	0.2
72.96558	0.2
74.09718	2.9
96.96912	0.5
130.06316	2.7
156.04218	100.0
157.04564	0.5
158.04068	0.2
216.05490	0.5
245.05070	0.5
543.13074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
53.50557	0.9
55.01871	3.8
55.05513	11.6
57.03439	22.3
57.07066	1.4
59.04978	1.2
61.02929	79.2
65.03944	1.6
67.05508	35.8
69.03431	36.4
69.07069	8.3
71.01336	3.3
71.04996	5.7
71.60231	1.3
71.60593	1.2
73.02917	25.8
73.03544	1.1
75.04473	2.4
79.05065	1.5
79.05495	23.7
79.19465	1.1
81.02980	1.8
81.03420	23.2
81.07059	36.5
82.07417	1.1
83.01366	1.3
83.04987	6.3
83.08607	3.9
85.02908	100.0
87.04460	4.0
91.03958	67.1
91.05476	14.0
93.07048	27.4
94.88732	0.9
95.04966	4.3
95.07986	1.1
95.08609	29.2
97.02894	75.3
97.06509	3.0
97.10199	1.5
99.04466	11.7
99.08109	1.6
101.02373	9.0
103.03964	7.2
105.07052	9.9
107.04960	1.4
107.08602	15.8
109.02898	12.4
109.06519	2.9
109.10164	16.4
111.04425	3.5
112.09268	1.0
115.03939	7.0
117.05486	3.7
117.07001	6.1
119.08578	12.7
121.10141	15.5
123.08099	1.7
123.11691	5.7
123.93192	0.9
127.03911	37.5
129.05504	5.1
129.06969	2.7
131.08585	9.8
133.10138	8.8
135.11697	11.7
137.13257	1.9
143.08607	1.4
145.04958	24.8
145.10121	8.2
147.08051	1.4
147.11670	7.6
149.02359	1.8
149.09613	1.9
149.13229	7.9
154.03851	1.0
155.07118	1.1
155.08432	1.1
159.06450	2.3
159.07936	1.3
159.11711	6.8
161.13252	4.9
163.05974	9.3
163.11241	1.3
163.14828	3.4
167.08630	1.2
171.06537	1.2
171.11641	2.6
173.13219	6.2
175.14828	2.1
177.12683	1.7
182.70062	1.0
183.06522	7.5
183.11726	2.0
185.13292	2.1
187.14841	2.6
193.04947	1.6
201.07628	4.6
201.12680	1.2
201.16476	1.4
205.55565	1.2
241.19524	1.3
243.21114	5.6
259.20575	3.1
261.22192	17.1
279.23077	1.5
303.23352	2.3
315.23401	1.7
317.24695	1.5
319.22845	1.3
335.25806	71.6
341.24554	1.4
351.23215	2.5
363.25284	3.0
369.24139	3.9
377.26703	1.6
443.27850	4.0
461.28656	3.5
479.29956	12.6
497.31003	3.8
627.19977	1.2
659.25665	1.4
659.36237	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	659.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20575	1.0
53.03940	5.4
55.01879	4.9
55.05288	1.3
55.05511	11.9
57.03437	24.7
57.07075	2.7
61.02925	82.2
65.03943	1.4
67.05505	42.8
69.03427	34.9
69.07065	8.5
70.06583	1.2
70.76128	3.2
71.01351	3.7
71.04993	5.0
73.02919	26.3
75.04479	1.9
79.05494	26.9
81.03416	26.9
81.06576	2.2
81.07056	43.5
83.01337	2.2
83.04974	5.7
83.08625	4.4
85.02905	95.2
85.06535	2.2
87.04487	5.0
88.07624	4.2
91.03954	60.5
91.05476	15.0
93.05523	1.1
93.07040	28.8
95.04970	5.5
95.08608	34.3
97.02891	72.2
97.06535	2.8
98.03174	1.1
99.04456	15.9
101.02383	6.9
102.09177	2.1
103.03940	12.8
105.07027	13.5
107.04936	1.4
107.08594	16.3
109.02882	10.7
109.06554	2.3
109.10149	18.0
110.50835	1.0
111.04454	3.4
111.08070	1.6
115.03918	8.0
117.05476	3.2
117.07001	4.9
119.08572	11.9
121.10146	17.4
123.08096	1.2
123.11732	7.6
127.03915	36.2
129.05513	4.6
131.08572	8.8
133.10133	10.5
135.11674	12.3
137.09608	1.3
137.13263	2.3
139.11177	1.8
143.08589	1.7
145.04956	23.4
145.06000	1.7
145.10092	8.9
147.11678	6.0
149.02374	3.2
149.13252	8.0
151.14828	1.3
155.06935	1.1
159.06557	4.1
159.11687	6.5
161.09610	1.3
161.13287	6.4
163.05965	7.1
163.11232	1.0
163.14845	5.1
165.12778	1.0
165.26880	1.1
171.06569	3.1
171.11760	2.1
173.13263	7.2
175.14819	3.0
177.12721	1.8
177.16383	2.0
183.06526	13.9
183.11705	2.2
185.13235	1.6
187.14871	3.8
193.04988	3.5
194.05319	2.3
195.11786	1.5
197.13336	1.3
199.14864	2.5
201.07635	8.2
201.16377	2.2
243.21101	8.1
256.26410	4.7
257.26743	3.2
259.20654	3.5
261.22156	25.3
273.22156	2.2
277.21860	1.7
285.22260	1.3
303.23306	2.5
315.23267	1.4
316.45660	1.2
317.24768	1.7
327.23285	3.5
333.24490	1.4
335.25793	100.0
336.26294	2.9
341.25058	1.4
345.24289	1.6
351.23016	1.5
353.26996	1.8
357.24017	1.0
363.25375	3.3
369.24399	3.9
377.27020	2.9
385.09122	1.4
386.09839	1.2
387.25580	1.7
405.26410	1.2
430.12009	2.1
443.27957	5.4
461.29089	4.2
479.30066	10.4
497.31238	4.2
659.36273	33.3
660.37036	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76729	0.7
50.95335	0.7
51.52800	0.6
52.54858	0.6
53.03955	3.5
55.01865	1.3
55.05513	1.3
59.04966	0.7
65.03931	0.6
67.05495	2.4
67.50045	0.7
68.86320	0.6
69.03429	7.5
69.07076	1.4
69.60124	6.0
69.83044	0.6
71.04984	2.1
73.02914	0.9
79.05501	3.6
81.03421	17.2
81.07053	5.6
83.01337	0.7
83.04980	1.9
83.05457	0.7
83.08646	0.7
85.02893	1.9
91.05473	7.2
93.07054	9.4
95.04948	1.7
95.08610	7.0
97.02277	1.1
97.02901	17.9
97.06544	1.4
99.04443	4.4
99.77125	0.6
105.07035	12.4
107.04952	2.2
107.08597	12.3
109.02884	100.0
109.06541	4.7
109.10144	4.0
111.04408	3.4
111.08109	4.7
115.03922	1.0
117.04387	0.6
117.07007	0.7
119.05016	0.8
119.08585	29.5
120.08067	0.7
121.06530	2.5
121.10159	9.8
123.04413	1.4
123.08076	11.6
123.11719	3.1
124.08872	1.7
125.05917	0.8
125.09634	67.4
127.03922	65.0
128.06259	0.8
131.04953	1.0
131.08562	1.9
133.06506	2.1
133.10135	26.4
135.04346	0.8
135.08051	1.6
135.11719	3.1
137.05991	2.0
137.09650	3.4
139.03799	0.7
143.08577	3.3
145.02940	1.2
145.04976	8.0
145.06081	1.2
145.06454	1.0
145.10129	2.4
147.04390	1.5
147.08058	14.5
149.09642	1.0
151.07556	2.0
151.11206	3.1
159.08098	1.0
159.11713	1.7
161.09631	18.5
161.13298	0.7
163.03883	3.9
163.07585	0.9
163.11223	2.8
165.09120	19.7
165.10519	1.3
167.06992	0.8
171.08038	1.4
171.11743	1.1
173.09605	1.0
173.13225	1.4
175.11276	1.1
179.10680	14.8
185.13358	0.8
189.09117	17.3
199.11124	0.8
201.12642	1.0
203.10730	0.8
207.10172	20.9
207.12074	1.4
215.10651	1.3
225.11232	41.5
233.11897	1.4
237.11012	1.0
253.13394	0.7
253.16058	0.8
262.39703	1.0
267.12271	3.1
267.17657	0.9
271.16943	1.6
285.18597	1.1
289.18005	2.7
295.17090	0.8
296.89828	0.7
303.19791	1.1
313.18024	2.7
315.12415	2.2
331.18991	12.4
333.13321	6.9
349.20154	14.2
349.24359	0.9
351.14389	9.9
353.83734	0.7
367.21152	1.3
391.21130	6.8
421.22186	2.5
439.21219	1.9
457.22281	26.0
475.23270	16.1
493.24268	3.1
564.12915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82494	0.6
53.03944	3.8
55.01869	1.1
55.05503	2.1
57.03430	1.1
57.07065	0.7
59.05001	0.8
67.05505	3.5
69.03437	8.5
69.07066	1.3
70.86008	1.8
71.04984	2.4
79.05492	4.0
81.03419	19.9
81.07059	7.6
83.01337	0.9
83.04977	2.2
85.02917	2.0
85.06553	0.8
91.05475	6.6
93.07049	11.3
95.04970	2.4
95.08604	6.7
97.02900	17.9
97.06512	1.4
99.04465	3.9
99.08116	0.7
104.24948	0.6
105.07033	12.9
107.04967	2.3
107.08607	11.3
109.02883	100.0
109.06535	6.0
109.10139	4.4
111.04472	3.3
111.08082	4.4
113.06026	1.3
114.61731	0.5
115.03915	0.8
117.07016	1.7
119.04961	1.1
119.08583	30.5
121.06537	2.4
121.10145	10.2
123.04399	0.8
123.08076	10.7
123.11730	2.8
124.08852	2.0
125.09632	65.8
127.03921	68.2
128.06259	1.0
129.07097	0.9
131.08569	1.7
133.06497	1.7
133.10136	27.1
135.04512	0.7
135.08066	2.0
135.11707	3.3
137.05991	2.3
137.09608	2.5
139.07535	0.8
143.08595	3.3
145.02872	0.8
145.04977	7.3
145.06538	1.2
145.10114	3.3
147.04446	2.3
147.08051	15.3
149.09645	1.5
151.07576	1.5
151.11169	2.4
154.96753	0.7
155.08641	0.6
157.10136	0.8
159.11765	0.9
159.17491	0.6
161.09636	19.2
163.03932	4.2
163.07578	0.7
163.11220	2.0
165.09120	19.6
165.10504	1.0
166.12186	0.7
169.10129	0.9
171.08131	1.2
173.09634	0.8
173.13368	0.9
175.11151	0.9
177.05458	1.2
179.10683	15.1
185.13303	1.1
189.09131	13.5
191.10805	0.7
207.10193	21.7
225.11223	42.4
229.15878	1.1
231.13737	0.7
233.11748	0.9
249.11282	1.0
267.12283	5.9
271.17068	1.7
285.18460	1.3
289.17935	2.6
295.17056	0.8
297.13361	0.8
303.39941	0.6
309.80975	0.6
313.18079	2.6
315.12509	1.9
331.19019	10.7
333.13446	5.8
349.20059	12.7
351.14401	9.4
367.21268	0.9
391.21191	8.0
403.21487	0.6
421.22189	2.8
428.16382	0.8
439.21204	2.3
457.22266	24.9
475.23300	15.6
493.24512	2.6
544.10138	0.7
613.27429	0.6
659.35950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
53.54668	0.4
60.91701	0.5
65.03948	0.8
65.20982	0.4
67.05503	0.9
69.03426	1.0
69.52435	3.8
79.05470	1.4
80.05006	1.4
81.03452	0.4
81.05794	0.4
81.07061	1.2
82.06585	1.2
85.02908	0.7
89.03906	1.4
91.05480	2.2
93.05792	0.8
93.07041	2.9
94.06561	5.9
95.04958	1.3
95.07320	2.8
96.08124	7.2
97.02882	1.0
98.20750	1.1
103.05470	0.4
105.06999	0.7
106.06550	1.9
107.04959	0.5
108.04494	2.1
108.08122	9.7
108.83131	0.4
109.02848	0.7
109.10201	0.7
110.09676	8.5
116.04980	3.0
117.03397	0.8
118.06534	0.5
119.04966	0.9
119.08623	0.7
120.04438	2.4
120.08102	7.4
122.06026	4.6
123.06824	0.5
124.07607	7.9
126.26178	0.4
127.03928	1.2
131.04979	0.5
133.06473	0.6
133.10075	0.5
134.06013	3.0
135.04443	1.6
135.08083	0.6
136.07573	8.5
137.05971	1.3
138.05522	0.5
138.09135	12.4
144.04462	6.0
145.02876	1.5
146.06035	5.2
147.04395	1.0
148.07576	3.1
149.05997	0.6
152.07092	1.9
158.06044	0.6
160.03922	2.5
160.07648	1.0
161.05995	0.7
162.05489	5.0
163.03908	9.3
164.04305	0.8
164.07100	2.0
165.05446	0.5
166.08640	13.2
167.07124	1.4
172.03935	23.8
172.11241	0.5
172.44052	0.5
174.05499	1.9
176.07068	5.7
177.05542	0.8
178.05002	0.6
181.04976	1.5
184.10010	0.5
185.10745	1.3
187.12254	0.7
188.07002	0.7
190.04991	21.3
191.05432	0.6
197.10774	1.2
198.09300	0.7
198.11485	0.5
199.08701	1.4
200.09459	0.7
201.10187	0.8
202.08751	0.6
204.06558	38.1
205.06972	0.5
209.10745	0.9
211.08693	1.2
211.12260	0.6
212.09477	1.7
213.06612	0.6
213.10239	4.2
214.10962	1.1
215.11771	2.5
223.08577	1.1
223.12325	0.6
224.09418	1.6
225.10191	3.1
226.08615	1.5
226.10927	1.1
227.11847	2.0
229.09804	0.8
229.13390	0.9
235.08734	0.7
236.09534	1.7
237.10201	2.7
238.11044	2.3
239.08205	0.6
239.11870	1.4
241.09723	3.5
242.10518	0.6
243.11281	11.9
245.13065	0.6
249.10292	1.5
251.08112	1.2
251.11835	2.1
252.09038	0.5
253.09772	2.3
253.13177	0.5
254.10529	0.6
255.11301	2.0
256.12085	1.0
257.09039	0.5
257.12863	1.1
263.08160	1.0
263.11703	0.6
264.08896	3.3
265.09766	2.7
266.10519	1.1
267.11414	1.7
269.09265	3.9
269.12915	1.0
270.09970	1.0
271.10745	2.3
273.12341	6.0
274.13293	0.7
277.09766	1.8
279.11230	4.0
281.09296	1.0
281.12726	0.6
283.10706	5.0
284.11685	1.3
285.12320	16.9
286.10925	0.6
287.10245	9.4
293.09250	0.7
294.10062	0.9
295.06271	0.5
295.10825	0.9
296.11694	0.6
297.12323	7.5
299.10547	1.2
299.14008	4.1
300.15042	1.1
301.11813	2.4
302.12878	1.3
303.13394	27.5
304.14166	0.6
305.09396	0.8
305.15643	0.5
307.10666	1.5
310.12985	0.6
311.10349	1.3
311.13730	0.5
313.11746	2.2
314.16702	1.4
315.10440	1.2
315.13870	0.8
316.10922	1.5
316.14471	1.9
317.15433	1.0
318.16025	1.1
319.08124	0.6
323.06345	0.8
323.10202	6.2
323.13647	0.8
325.11850	22.6
326.12711	1.4
327.13660	3.3
328.11008	1.0
328.14688	1.1
329.11575	2.7
329.15152	0.6
329.50272	0.5
330.12445	2.9
330.15744	0.8
331.13425	0.8
332.14038	0.8
340.14490	0.5
342.12408	1.4
342.16199	0.7
343.12994	8.0
343.17068	0.6
344.10513	0.6
344.13806	2.8
345.14941	1.1
346.15582	3.4
347.16455	1.2
354.12750	0.6
356.13992	1.1
357.14468	11.1
358.11774	0.8
358.15567	5.4
359.16394	0.8
360.17319	1.0
361.14282	0.9
370.11694	2.6
371.12582	4.0
372.13245	5.1
373.14185	1.9
374.14780	2.7
376.16769	0.9
378.18207	0.7
381.10764	0.9
384.13400	1.3
385.13953	2.9
386.15042	10.7
386.19678	0.9
387.15778	4.6
388.12695	0.9
388.17203	1.1
389.13721	0.7
390.18542	0.6
392.15967	1.2
394.17636	1.2
398.15439	0.6
400.12375	0.6
400.16879	0.8
400.90469	0.5
401.13818	1.3
402.14392	1.7
402.18311	1.9
403.15302	1.6
404.16092	7.6
406.17471	3.2
412.16724	0.5
413.14697	1.6
414.14420	10.5
415.15283	22.8
416.15942	2.2
417.16721	0.8
418.17670	2.0
420.15466	3.7
428.16263	2.4
430.17947	3.4
431.15344	0.6
432.15549	15.8
433.16269	1.0
438.16455	2.3
444.15601	1.5
445.15884	0.7
446.17084	4.3
456.15552	5.8
462.16608	14.1
463.16959	0.7
464.18097	1.8
474.16605	36.0
475.16721	0.9
476.18085	1.2
494.19150	2.3
506.19241	9.3
557.24017	0.6
581.23883	2.4
583.25146	2.5
585.23529	5.7
591.22607	0.7
599.25146	3.3
609.23553	7.2
627.24493	100.0
628.25061	3.7
641.25201	0.6
659.27179	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	659.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	1.9
64.23323	0.6
67.05502	1.0
69.03426	0.7
69.07072	0.9
70.06605	2.6
71.08675	0.7
71.61707	0.9
71.70209	0.8
79.05534	0.7
81.07061	0.9
88.07630	4.1
91.05505	0.9
93.07067	0.9
95.08631	1.2
102.09207	2.6
105.07063	1.0
107.08609	1.0
116.39068	0.6
141.77980	0.7
149.02348	5.1
150.02681	1.1
162.20212	0.8
193.04999	8.1
194.05348	1.4
237.07695	1.4
256.26321	5.9
257.26654	3.3
313.14047	1.1
341.06705	1.5
342.07074	0.8
347.34097	0.6
385.09372	2.4
386.09805	1.5
425.16580	0.9
426.13284	1.0
427.13718	0.9
429.12091	2.8
430.12418	2.6
437.16434	0.9
440.15067	1.2
443.17712	1.0
443.74603	0.7
453.16049	0.9
455.13260	1.3
467.14001	1.4
469.14804	4.3
471.17072	0.8
483.12592	1.4
495.16769	3.0
496.13565	1.4
497.14117	1.3
497.18631	1.2
498.19260	1.0
502.18631	0.9
511.16397	1.9
512.17010	4.7
513.17737	11.5
525.17773	12.5
526.18536	1.5
539.19318	1.5
543.18604	1.2
544.17816	0.7
553.19623	1.1
557.20380	2.9
566.20441	2.2
567.19208	1.6
599.21326	11.0
617.22095	5.5
627.20807	10.0
640.23969	1.0
658.35883	6.6
659.23694	100.0
659.36212	17.9
660.23712	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	659.2343
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
50.26577	0.4
55.05486	0.5
55.55215	0.4
65.24271	0.4
66.87075	0.3
69.07064	0.5
70.29485	0.4
71.15050	0.4
79.05503	0.5
79.75500	0.4
81.07034	0.5
95.08620	0.6
103.67844	0.4
105.07037	0.6
107.08635	0.5
109.10204	0.4
113.97977	0.4
130.70032	0.4
152.08482	0.3
164.44568	0.4
198.30658	0.5
209.11719	0.4
362.29514	0.4
385.13080	0.9
386.13708	0.8
399.14618	1.5
400.15356	4.1
401.15836	0.8
410.14374	1.1
411.15280	0.6
412.15268	1.0
413.16251	1.3
414.16904	2.5
421.12952	1.5
422.13721	4.2
423.14569	3.6
424.15573	1.6
425.16214	0.7
426.17529	0.6
427.13412	0.8
427.18402	0.7
428.16513	0.9
429.19778	2.2
433.12021	0.5
435.14761	2.5
436.15363	6.1
437.16205	8.8
438.17328	2.1
439.15109	0.4
440.15506	0.4
441.15582	1.8
449.16476	2.3
450.17590	3.2
451.18427	4.7
452.19415	2.0
455.17264	1.4
456.17838	1.5
457.17465	1.0
459.16241	0.5
463.13815	0.9
464.14337	2.8
465.15533	2.8
465.20065	1.8
466.16379	1.4
467.17404	2.2
469.15268	1.8
470.16089	0.6
473.17102	0.5
477.15442	0.6
478.16425	2.5
479.17593	3.7
480.18237	3.7
481.14536	1.2
481.19769	0.9
482.15060	2.0
483.16458	2.4
484.16653	2.6
491.12970	0.5
492.17902	0.7
493.19016	6.7
494.15808	2.0
494.19580	1.8
495.16351	5.4
496.17282	2.0
498.14975	2.1
506.16177	1.1
507.17014	1.9
508.17581	6.6
509.18402	4.8
510.15424	0.6
510.19131	0.7
511.19461	1.6
512.16534	7.8
513.17505	1.0
516.24066	0.8
521.18188	10.9
522.16125	3.3
523.19299	0.5
524.16992	1.2
525.21124	1.9
526.15112	1.8
539.19208	2.4
540.19745	2.6
543.22125	1.5
549.17664	1.4
553.20837	12.0
571.21790	2.5
572.22174	2.5
581.20294	42.1
582.20691	1.8
594.24097	0.7
599.21124	19.9
600.21838	3.3
609.19977	0.7
613.22974	11.0
622.22754	4.3
623.24493	0.5
627.20917	0.9
631.23792	3.7
641.22412	100.0
642.22675	3.9
651.38300	0.6
659.23395	24.3
660.23389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.6
53.03948	1.5
55.01876	2.0
55.05263	0.4
55.05513	7.0
57.03437	1.0
65.03942	12.3
67.01868	0.3
67.05505	30.5
68.99801	1.7
69.03432	16.5
69.43433	2.3
70.06583	0.3
71.01340	1.4
73.02914	0.3
77.03931	0.4
81.03427	0.7
83.04984	62.0
84.05317	0.8
85.02907	15.2
87.00838	1.9
87.04467	1.1
91.05473	1.2
93.03407	21.3
95.01334	0.4
95.04972	37.0
96.05275	0.4
97.02901	2.9
99.00819	16.9
99.04493	0.6
101.02352	1.5
101.06022	1.6
105.04533	0.4
107.04965	0.7
109.02901	0.4
111.04445	84.5
112.04771	0.9
113.02399	1.2
114.94002	0.3
115.03928	1.7
117.01870	2.9
119.04930	2.5
121.02875	8.9
127.03910	0.7
129.05482	31.8
129.25208	0.2
130.05801	0.3
131.04909	0.3
131.08531	0.3
139.03905	33.2
140.04266	0.6
147.04413	7.0
147.06386	1.4
147.37869	0.3
157.04967	27.0
163.03964	0.7
175.06032	7.7
179.32274	0.2
191.03427	0.6
198.07588	0.3
209.04453	2.5
209.11708	0.5
212.08354	1.1
213.09125	0.5
219.08044	0.3
227.05502	7.8
237.09114	0.7
245.06618	2.0
255.04903	1.9
265.08609	0.5
266.54718	0.3
273.06049	21.5
274.06387	0.5
283.08566	0.6
291.07098	2.9
293.07996	0.6
312.09534	0.3
321.09668	0.7
361.59039	0.3
383.09708	0.8
386.32062	0.3
401.10767	5.9
411.09360	0.3
419.11945	1.4
427.12854	0.4
429.10303	9.2
439.14075	0.3
447.11353	100.0
448.11725	3.1
467.13275	0.9
559.86206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14735	0.4
53.00298	1.5
53.03946	2.3
55.01884	2.1
55.05511	7.5
57.03437	1.3
65.03941	15.0
66.92581	0.4
67.05506	33.6
68.99805	2.4
69.03430	22.4
70.00028	2.4
71.01357	1.7
73.02920	0.5
81.03418	1.0
83.01334	0.5
83.04983	68.8
83.98181	0.4
84.05328	0.5
85.02905	16.1
87.00377	0.5
87.00841	3.2
87.04470	1.3
91.05489	3.5
93.03408	25.1
95.04971	37.9
97.02900	2.4
98.31327	0.4
99.00818	22.7
101.02384	1.6
101.06028	2.1
105.01913	0.5
105.04502	0.5
107.04955	1.5
111.04443	94.8
112.04785	0.9
113.02402	0.9
115.03925	1.9
117.01859	5.8
119.04947	7.5
121.02870	9.5
127.03944	1.0
128.97247	0.5
129.05482	39.8
131.04874	0.7
139.03902	40.2
140.04318	0.4
147.04411	30.0
147.06511	2.8
149.06000	0.5
156.65938	0.5
157.04967	40.1
163.03928	0.6
165.05482	1.0
175.06039	9.5
177.05486	0.7
191.61870	0.5
195.07993	0.7
209.04401	2.9
209.09703	0.5
212.08337	4.1
213.09160	1.4
219.08208	0.5
223.07417	0.5
227.05502	8.5
237.09174	1.7
245.06607	2.8
247.07565	1.0
255.04971	2.7
265.08640	1.7
273.06052	23.4
274.06287	0.5
291.07089	3.6
293.08249	1.2
311.09137	0.8
321.09698	12.7
321.13379	0.9
383.09781	0.6
401.10736	5.5
411.09534	0.5
419.11929	2.0
429.10257	9.3
439.13873	0.5
447.11356	100.0
448.11835	1.7
467.13242	2.8
581.45892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.00308	1.7
53.03945	1.6
55.01871	1.8
55.05508	6.6
57.03434	1.5
60.04517	1.2
65.03599	0.6
65.03942	12.6
67.05503	32.7
68.01307	0.3
68.99794	1.9
69.03429	17.3
69.08007	0.3
69.91406	1.5
69.91837	0.6
71.01359	1.7
71.04985	0.4
73.02915	0.4
77.03963	0.3
78.07656	0.3
79.05485	0.4
81.03416	1.0
81.07030	0.5
83.04980	61.9
83.28841	0.3
84.05318	0.5
85.02905	14.2
87.00824	1.6
87.04454	0.9
91.05469	1.5
91.44463	0.3
93.03405	21.0
93.07046	0.4
95.04967	35.6
95.08632	0.5
96.05272	0.4
97.02891	2.7
97.06526	0.5
99.00813	15.2
99.04445	0.5
101.02349	1.5
101.06030	1.4
105.01896	0.3
105.07046	0.5
106.27609	0.3
107.04963	0.9
109.02876	0.4
111.04441	85.5
112.04777	1.0
113.02364	0.9
115.03917	1.5
117.01865	3.5
119.04932	2.8
121.02869	8.9
122.09736	0.3
123.08047	0.4
127.03939	0.5
129.05475	32.0
130.05804	0.4
139.03897	33.6
140.10719	1.4
145.02841	0.9
147.04408	10.1
147.05519	0.6
147.06505	1.2
155.03365	0.4
157.04961	25.4
158.05344	0.4
163.03931	0.8
175.06021	7.5
175.61465	0.3
177.05508	1.5
178.05742	0.4
191.03557	0.4
193.07173	0.4
198.07602	0.4
209.04459	2.9
209.09610	0.5
212.08299	1.0
213.09036	0.4
221.09737	0.3
223.07492	0.7
227.05482	7.7
237.09160	1.2
245.06587	2.0
247.07642	0.5
255.05006	2.3
265.08633	0.5
273.06039	21.3
274.06497	0.6
291.07047	2.5
293.08127	0.8
311.09296	0.6
321.09702	1.2
383.09683	0.6
401.10779	4.6
411.09024	0.3
419.11630	1.9
429.10263	9.1
442.31625	0.9
443.32266	0.5
447.11337	100.0
448.11694	3.0
460.32538	0.9
461.32986	1.0
467.13214	0.8
478.33740	0.7
479.33963	0.7
497.35278	0.4
659.22449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73050	0.5
53.00298	1.7
53.03937	1.9
55.01871	1.6
55.05264	0.5
55.05514	8.2
57.03432	1.3
64.68730	0.4
65.03944	11.6
67.05507	31.1
68.99790	1.8
69.03430	23.0
69.03815	0.8
69.84808	0.6
69.85218	1.8
70.06567	0.4
71.01359	1.5
77.03915	0.5
81.03425	1.2
83.01377	0.4
83.04980	65.8
85.02905	16.9
85.09093	0.4
87.00830	2.1
87.04472	1.7
91.05490	3.6
93.03404	24.7
95.04969	35.8
97.02882	2.8
99.00816	21.2
101.02412	2.1
101.06013	1.6
102.30116	0.4
105.01828	0.5
105.04543	1.2
107.04961	1.4
111.04442	93.7
112.04751	0.8
113.02363	0.8
113.06052	0.5
115.03930	1.3
117.01879	5.4
119.04944	8.4
119.05782	0.6
121.02876	10.1
127.03918	0.7
129.05478	39.4
132.84093	0.4
135.03000	0.4
135.11702	0.5
139.03903	37.7
140.04245	0.7
145.02808	0.5
147.04410	38.8
147.06511	2.6
148.04755	0.7
149.05989	0.5
157.04964	41.0
163.03940	0.7
165.05504	1.3
172.95221	0.5
175.06032	9.8
175.07474	0.7
177.05492	1.2
203.05270	0.6
209.04456	2.1
212.08319	5.5
213.09100	1.5
218.07133	0.5
219.08076	0.5
223.07484	0.6
227.05463	8.0
237.09108	2.4
245.06566	2.8
247.07605	0.6
255.04924	2.5
265.08646	1.7
273.06058	26.0
291.07147	3.2
293.08093	1.1
297.63519	0.4
303.08716	0.5
311.09137	1.5
315.17212	0.4
321.09698	24.1
353.10382	0.5
383.09335	0.7
401.10834	6.0
406.44107	0.4
409.14685	1.5
419.11908	2.0
421.02518	0.4
429.10318	10.0
439.07025	0.4
439.13782	1.0
447.11349	100.0
448.11755	2.5
467.13480	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	658.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96032	0.5
55.05522	1.0
56.05052	0.4
57.07079	6.4
58.06596	1.6
60.76328	0.4
61.02924	0.7
65.03934	0.9
67.05501	1.2
70.06594	17.2
70.64899	0.5
70.65221	1.1
71.08632	2.8
72.08155	0.8
81.03436	0.5
81.07062	0.5
84.08152	0.8
85.10192	0.8
88.07632	19.9
93.07051	0.7
95.04962	0.5
96.13600	0.4
98.20798	0.4
102.09182	14.9
105.07034	0.6
121.06490	0.5
131.05026	0.7
138.80341	0.5
146.11800	0.6
147.04396	0.6
149.02345	33.0
175.03912	0.8
177.05516	0.8
193.04968	43.1
194.05299	0.4
199.66556	0.5
205.90808	0.5
213.80284	0.4
219.06636	0.6
225.05594	0.9
237.07574	11.8
237.70436	0.4
256.26355	45.0
257.26892	0.7
269.04617	1.2
297.04047	2.0
300.28976	1.0
313.07281	1.9
341.06549	8.1
359.07697	7.7
385.09174	19.9
429.11841	26.4
434.20236	0.5
560.36731	0.7
597.34192	0.5
640.35028	0.6
658.35980	100.0
659.25653	0.6
659.35858	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01870	5.5
55.05509	5.7
57.07070	6.6
67.05505	22.5
69.03426	12.4
69.07054	5.2
70.06606	10.7
71.01347	3.2
71.04991	5.2
71.59908	2.8
77.39625	2.3
79.05489	19.1
81.03416	22.4
81.07054	28.1
83.01350	3.1
83.04974	6.2
83.08615	3.8
85.02913	4.0
85.06552	2.3
88.07629	16.4
91.05479	25.6
93.07040	43.0
95.04968	8.3
95.08596	25.7
96.15842	1.8
97.02893	27.0
97.06514	3.2
99.04459	6.9
102.09187	11.3
103.05479	2.6
105.07027	56.6
107.04956	14.1
107.08591	49.4
109.02206	3.9
109.02881	34.0
109.06497	13.7
109.08570	1.9
109.10156	49.8
111.04445	16.9
111.08109	5.3
117.07024	9.6
119.04965	4.2
119.08578	63.2
121.02873	6.3
121.06528	9.1
121.10139	17.8
123.04466	13.4
123.08076	10.3
123.11684	5.4
127.03912	78.8
128.06224	4.9
129.07037	10.8
131.08528	13.5
133.06519	7.4
133.10126	51.8
133.11075	3.6
135.08066	24.3
135.11662	11.0
137.05995	4.0
137.09651	9.4
141.07066	2.4
142.07814	4.9
143.08569	17.5
145.04979	4.0
145.06473	3.1
145.10124	18.2
147.08047	37.7
147.11732	8.7
149.02357	21.5
149.09587	14.6
151.11221	4.7
153.06998	2.9
155.08614	3.7
156.09438	2.6
157.06551	5.9
157.10135	8.3
159.08092	9.1
159.11754	5.8
161.09618	39.7
161.13319	3.9
163.11174	31.4
165.07001	4.1
165.09120	34.6
166.07811	9.6
167.08424	3.0
169.10161	3.9
171.08070	7.1
171.11702	16.9
173.09641	6.0
173.13269	3.6
175.11209	7.5
178.91696	2.8
179.10687	20.7
181.10152	15.1
181.38023	2.1
184.08879	2.5
185.09601	27.8
185.11037	3.1
187.11140	4.2
189.09142	24.6
189.12762	6.2
191.10703	8.9
193.04958	26.3
197.09543	2.6
199.11177	88.9
203.10724	6.3
205.12248	2.3
207.10156	32.6
209.13350	2.7
213.12793	2.9
215.10640	2.9
217.12253	36.8
225.11214	100.0
235.13219	12.9
237.07611	6.3
239.12784	2.2
255.17351	3.1
256.26318	26.9
259.13373	3.7
267.12354	7.9
269.19016	2.2
277.14456	4.0
297.13382	2.3
297.18427	10.4
299.16544	2.6
309.18420	2.1
315.19547	42.2
315.23029	3.2
327.32257	2.2
333.13477	4.7
333.20642	4.0
341.06671	5.3
341.21210	4.1
351.14468	9.0
351.19604	3.1
357.20551	20.7
359.07742	5.1
369.20395	14.9
375.21732	6.0
381.20544	4.7
385.09283	14.6
393.20630	3.9
405.20700	5.1
411.21634	4.4
413.23431	2.8
423.21689	19.8
429.11801	15.9
441.22736	54.5
459.23682	17.7
477.24640	3.2
560.36792	2.6
658.35846	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01866	5.7
55.05508	27.3
56.61465	0.7
57.03435	3.2
57.07072	4.5
59.04999	1.5
65.03929	3.7
67.05500	98.8
69.03430	3.2
69.07063	31.5
70.73443	0.9
70.73802	2.3
71.04987	14.5
71.08630	1.7
73.06556	1.3
77.03883	1.1
78.93732	0.8
79.05488	60.9
79.27126	0.8
79.39687	0.7
80.05788	0.8
81.03416	2.1
81.07051	100.0
82.07417	0.8
83.04975	7.5
83.08610	15.3
85.06536	11.8
87.04449	0.9
91.04893	1.1
91.05475	39.0
93.07037	91.7
95.04967	9.1
95.08601	68.9
97.06517	11.6
97.10162	15.0
98.20783	0.7
99.08085	9.9
102.45304	0.6
105.04519	1.2
105.07026	28.8
107.04956	1.7
107.08588	50.9
109.06522	4.5
109.07137	0.7
109.10150	35.9
111.04417	0.9
111.08082	6.1
111.11716	3.8
113.09628	2.3
115.05454	1.1
115.07607	1.0
115.62124	0.7
117.07014	11.9
119.08571	24.1
121.06467	1.1
121.10136	82.9
123.08082	4.0
123.11697	12.8
125.09617	14.3
127.07541	0.7
128.06194	1.1
129.07013	5.9
131.08557	20.2
133.10124	26.3
135.08052	3.3
135.11682	56.8
137.09644	4.9
137.13219	2.3
139.11168	12.2
142.07777	0.9
143.08536	4.6
145.10121	16.8
147.11682	16.3
149.09590	4.3
149.13248	17.9
151.11218	4.1
153.09090	2.3
157.10139	4.8
159.11673	12.8
161.09506	0.8
161.13251	9.9
163.11185	5.2
163.14798	4.2
165.12692	2.5
167.10622	1.3
167.14252	1.5
169.12198	1.4
171.11681	8.4
173.11697	4.9
173.13239	6.7
175.11253	1.3
175.14806	7.3
177.12762	3.4
179.14275	2.4
181.12143	3.4
183.11574	1.7
183.13779	3.0
185.11752	1.5
185.13232	8.2
187.13284	3.9
187.14711	1.1
189.11153	4.6
189.12711	1.5
189.16400	1.5
191.14281	1.9
193.15845	2.2
195.13799	5.1
197.13313	1.0
199.14810	3.4
201.14783	1.7
201.16454	1.5
203.12766	13.5
203.14380	1.2
205.15889	0.8
207.17436	1.7
209.15353	2.6
213.16304	2.2
217.14226	3.8
221.15277	3.3
225.18472	1.4
231.17320	1.0
231.20959	2.1
235.16832	2.5
239.17944	1.6
241.19521	12.3
249.22148	1.1
257.18896	2.9
259.20566	37.4
259.23349	1.8
260.20651	0.7
261.22162	1.6
275.20023	3.3
277.21606	90.2
279.23215	1.4
291.19830	1.1
291.23163	18.7
293.20911	1.7
295.22672	48.8
309.24274	8.0
313.23730	1.7
327.25262	14.2
385.30362	1.0
429.29666	1.2
431.31558	0.9
433.33267	0.9
443.31195	1.6
449.32373	1.6
459.34589	1.5
461.32123	2.1
473.35095	0.8
517.39832	2.2
527.16266	0.8
535.41357	6.9
553.35199	1.0
553.42560	14.6
554.42395	0.9
559.35889	0.9
571.43512	10.0
585.45398	4.6
589.44373	5.8
603.46008	4.6
621.46466	2.4
657.21149	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.5
52.10544	0.9
53.03936	3.5
55.01871	1.8
55.05503	2.4
57.03447	1.6
59.24185	0.9
65.03947	1.0
67.05508	5.6
68.58202	0.9
69.03432	9.2
69.07060	2.6
69.75269	2.1
69.75690	4.9
71.04986	2.5
73.02875	1.2
79.05495	5.2
80.95613	1.0
81.03418	22.1
81.07057	9.0
82.03767	1.0
83.01343	1.7
83.04954	2.0
83.08613	1.2
85.02887	3.4
91.05490	9.8
93.07048	10.7
94.86363	0.8
95.04979	1.9
95.08603	8.8
97.02889	21.4
97.06522	0.8
99.04445	4.9
105.07030	16.0
107.04952	2.5
107.08601	14.6
109.02885	100.0
109.06515	7.2
109.10154	5.9
110.03267	1.5
111.04464	2.7
111.08052	4.8
113.06056	1.2
117.07038	2.5
119.04985	1.7
119.08585	35.2
121.06511	3.1
121.10144	13.3
123.04447	0.9
123.08074	12.2
123.11697	3.2
125.09631	74.8
127.03920	61.7
128.04276	1.0
128.06253	1.5
131.08569	2.3
133.06444	2.3
133.10124	31.2
135.11691	3.7
137.05977	2.8
137.09636	5.6
140.69273	1.1
143.08551	6.9
145.04948	8.8
145.10132	3.4
146.07187	1.1
147.04430	2.4
147.08052	19.3
147.11671	1.2
149.09647	1.4
151.11197	4.0
157.10118	1.3
159.08080	2.0
159.11687	1.1
161.05995	2.9
161.09624	20.5
163.03944	4.9
163.07527	2.6
163.11163	4.0
165.09123	24.8
171.08017	1.6
171.11653	2.0
173.09622	1.5
173.13239	1.5
177.09180	1.1
179.10677	15.3
185.05849	1.1
187.14743	1.1
189.09120	18.3
190.06253	2.3
191.07039	1.3
195.08122	1.2
199.10995	1.1
201.09183	1.5
207.10162	26.3
214.06120	1.4
225.11235	50.4
226.11610	1.2
227.10675	2.6
231.10153	5.5
232.07420	1.2
245.11774	1.3
249.11223	2.3
255.10132	7.4
267.12268	7.1
271.16864	1.8
273.11224	11.4
285.18390	1.8
289.17883	2.4
297.10583	1.0
313.17868	3.1
315.12305	2.0
324.51855	1.0
331.19061	12.0
333.13303	3.9
347.74054	1.0
349.20129	7.9
351.14459	7.6
391.21194	6.7
421.21991	1.4
439.21143	1.1
451.23282	1.2
457.22305	10.6
475.23093	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06136	0.8
60.05651	0.7
70.81060	0.6
70.84170	0.6
70.84530	2.2
76.02449	0.6
92.32903	0.6
93.07023	0.7
127.98893	0.6
132.08028	0.6
144.08159	1.2
146.05966	0.6
154.61897	0.6
158.29285	0.6
209.10587	0.7
221.10812	0.7
223.12207	0.9
233.10823	1.0
235.12390	1.0
237.13939	0.9
238.14610	0.6
247.12369	1.4
249.13924	1.2
259.12384	0.9
261.14081	1.6
273.13815	1.3
275.15552	1.1
286.13632	0.7
287.15433	0.6
288.15292	1.0
300.14841	0.9
316.17923	0.6
318.15927	1.3
324.15204	0.7
337.15646	0.8
338.16183	0.9
340.18167	0.7
352.17648	1.7
354.15918	0.8
356.21561	0.8
363.16727	1.3
364.17715	1.1
365.17963	2.4
374.16284	0.7
375.16083	0.9
376.17340	0.8
377.17780	2.1
378.19168	1.6
379.19147	3.3
380.16318	0.8
381.20837	1.0
388.18103	1.3
389.17542	1.2
390.19391	0.6
391.19571	3.1
392.19971	2.5
393.16693	1.1
393.21030	1.8
394.22049	0.8
395.18112	0.8
395.22592	1.1
402.19696	0.7
403.19574	0.8
404.20276	1.2
405.16821	1.6
405.21213	1.9
406.17862	0.8
407.18497	2.7
407.22607	2.0
408.19073	3.2
409.20258	3.2
417.17096	1.4
419.18747	2.2
420.20004	1.0
421.19516	4.3
421.24875	1.4
422.21152	2.6
423.21820	14.0
424.22665	1.3
433.20435	2.0
434.21494	1.5
435.22076	6.8
436.22574	2.7
437.23709	3.1
442.21472	1.1
446.20862	1.3
447.22043	0.9
449.18567	1.2
449.23593	2.3
450.24982	1.3
451.21448	2.7
452.22403	1.2
453.23343	1.3
454.19943	3.8
460.22000	0.7
461.23642	6.6
462.20731	2.0
463.21548	2.8
464.22525	1.4
465.23575	3.0
467.25403	1.5
468.25363	2.9
469.25989	1.0
477.22964	4.4
478.24246	2.9
479.25174	4.9
480.21735	0.9
481.22662	2.8
482.22705	0.8
491.20831	1.1
493.22528	4.5
494.27023	4.3
495.23627	8.6
496.24847	3.2
505.22025	1.1
507.23813	1.2
508.24783	10.1
509.25842	8.7
510.26410	8.0
511.27051	8.9
519.23969	1.3
521.25476	6.5
522.26794	1.3
523.23358	3.6
524.24469	0.8
525.28558	1.1
526.29321	1.0
537.25104	12.7
538.25763	7.2
549.24628	0.9
551.22705	2.1
553.28601	6.3
555.26184	1.9
565.24622	2.7
566.25085	1.1
570.28619	2.9
581.18634	0.6
581.27600	17.1
582.26758	1.1
583.25562	5.2
596.28040	1.2
597.27124	41.4
598.27753	5.8
607.25610	1.0
613.30237	62.6
614.30505	3.4
625.26593	100.0
626.26953	5.1
657.29199	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	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58351	0.8
70.85609	2.3
70.85942	1.0
80.96175	1.0
92.78671	0.9
188.03209	1.0
223.12418	1.5
233.10730	1.7
247.12325	1.3
249.13832	0.9
261.13922	1.7
273.13904	2.0
274.13535	1.1
275.15271	1.3
276.14893	0.9
284.79739	0.8
287.15488	1.4
288.16223	1.6
289.16751	0.9
314.16290	1.6
326.16449	0.9
328.17984	0.9
350.16357	1.6
363.16837	1.5
364.17447	1.5
365.17886	2.4
366.19415	1.1
375.16568	2.2
377.17654	3.1
378.19159	1.4
379.19403	5.2
380.16110	1.2
380.20676	1.8
381.21255	1.2
389.17847	1.0
391.19196	3.7
392.20245	2.2
393.16528	1.9
393.20944	2.5
395.18082	1.2
395.22736	1.7
403.15219	1.3
405.21091	2.2
406.21527	1.1
407.18488	3.2
407.22467	3.3
408.19278	3.3
409.20389	4.2
410.18698	2.2
416.16925	1.1
419.18213	2.4
419.22974	1.8
420.19550	1.7
421.19653	6.2
421.25006	1.4
422.20877	3.8
423.21893	14.4
424.22696	1.5
431.18463	1.6
433.20633	1.6
434.21344	1.3
435.22253	8.3
436.22818	4.1
437.23291	3.9
439.20822	1.3
442.21237	1.2
446.13535	2.0
446.20831	2.7
449.24347	4.1
450.24136	2.0
451.20441	4.1
452.23062	1.8
454.20282	4.4
456.22705	1.6
461.23441	6.1
462.21210	1.9
463.21039	3.2
464.22244	1.3
465.23285	4.6
466.23682	1.4
467.24783	2.7
468.24921	2.2
477.23129	6.9
478.24112	2.0
479.24185	4.6
480.23944	1.3
481.22357	2.4
491.20721	1.3
493.21585	7.9
494.27017	5.1
495.23700	13.4
496.24817	4.2
504.22174	1.5
505.22491	1.7
507.24063	1.7
508.24780	13.7
509.25867	12.7
510.26550	11.4
511.27100	10.2
519.23883	1.5
521.25763	4.8
522.25549	2.0
523.23260	4.7
525.28955	1.7
526.29376	1.6
537.25085	16.3
538.25745	6.1
549.24701	1.6
553.28693	7.4
555.25909	1.8
565.24481	2.1
566.24683	1.5
570.28174	3.7
581.19165	1.5
581.27625	17.6
582.26758	1.3
583.25842	4.3
597.27100	45.6
598.27655	6.9
607.25433	1.1
613.30212	71.2
614.30334	2.6
625.26569	100.0
626.26764	4.7
657.29303	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	657.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
55.01871	6.7
55.05499	8.8
57.03466	2.6
67.05206	3.3
67.05511	27.3
69.03430	21.2
69.07069	8.2
71.04989	7.5
71.52773	2.9
71.58969	3.4
71.59329	4.4
72.74585	2.4
79.05491	32.3
81.03428	28.2
81.07051	32.2
83.04973	7.2
83.60783	2.7
85.02892	11.0
87.78284	2.7
89.03899	4.5
91.05484	29.0
93.07047	53.7
95.04964	13.9
95.08607	33.2
95.86590	2.7
97.02885	36.7
97.06551	6.0
98.05101	2.7
99.04451	10.5
105.03403	2.9
105.07028	72.2
107.04948	16.2
107.08598	58.2
109.02880	42.9
109.06533	15.1
109.10157	53.4
111.04431	18.1
111.08088	6.8
113.06025	4.0
115.03866	3.9
115.84963	3.0
117.03368	6.5
117.06988	15.5
119.04922	4.8
119.08575	78.7
120.80798	2.4
121.02883	6.9
121.06475	13.1
121.10138	25.8
123.04411	10.0
123.08055	14.5
123.11713	8.6
125.05942	3.9
125.09487	2.8
125.41157	2.6
127.03916	86.1
127.04811	6.2
128.06161	3.0
129.06999	12.2
130.07724	3.9
131.08578	21.5
133.06487	11.1
133.10126	62.2
134.10435	3.3
135.04420	11.2
135.08047	35.2
135.11671	10.0
137.05972	6.7
137.09616	11.1
143.08543	23.3
145.02805	4.8
145.04968	6.9
145.06471	3.7
145.10120	21.2
147.04391	5.5
147.08037	34.1
147.11665	9.4
149.05995	4.7
149.09616	13.4
151.11122	7.7
153.07068	4.1
156.09367	3.8
157.10172	10.9
159.08087	10.7
159.11693	12.9
161.06007	6.0
161.09624	45.8
161.13269	3.5
163.03906	49.1
163.11165	22.5
164.79979	2.7
165.07014	5.3
165.09122	34.0
166.07748	5.3
169.10135	5.1
169.52968	2.6
171.08014	6.8
171.11655	13.7
173.09654	5.8
175.11157	7.8
179.10669	28.8
181.10115	12.6
185.09558	22.8
185.13263	3.3
187.11243	4.3
189.09137	27.5
189.12708	4.9
191.10660	6.7
195.11771	3.4
199.11172	67.7
199.14655	2.7
203.10664	6.5
205.12347	4.1
207.10181	41.8
213.12994	3.8
217.12225	34.5
225.09019	5.3
225.11211	100.0
229.12315	4.0
230.74567	3.3
235.13252	10.3
240.94446	2.8
267.12198	14.9
271.13312	6.7
287.20007	5.0
297.18320	9.3
315.19598	40.9
333.13342	9.0
351.14420	7.0
357.20493	15.8
369.20538	10.2
375.21490	4.2
423.21585	12.3
434.26828	3.5
441.22659	37.6
459.23605	11.2
492.17459	3.7
576.48920	3.1
605.24255	3.0
639.27344	9.3
657.24060	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	657.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18067	2.5
51.54124	2.2
51.88259	2.1
53.03939	6.6
55.01879	5.5
55.05500	10.5
57.03425	6.6
59.04984	3.3
61.02915	10.2
65.03947	3.4
67.05505	26.2
67.14524	2.3
69.03078	2.5
69.03423	27.3
69.07051	10.1
69.43114	4.7
69.43531	18.2
71.01349	2.8
71.04980	7.4
73.02904	6.2
79.05486	22.3
79.87845	2.3
81.03413	34.1
81.07050	33.5
83.04984	10.3
83.08613	4.5
85.02901	22.5
89.03902	5.4
91.03956	5.6
91.05479	34.7
93.07036	47.4
95.04942	13.3
95.08598	39.3
97.02892	47.3
97.06514	12.4
98.20750	4.9
99.04442	9.1
103.05458	2.6
105.07026	61.3
107.04933	15.5
107.08590	60.5
109.02874	53.4
109.06518	16.9
109.10147	55.6
111.04433	41.2
111.08073	7.1
115.03887	2.9
115.05479	2.8
117.03380	5.4
117.06978	11.1
118.95339	2.2
119.04912	4.0
119.08569	86.1
119.10854	2.2
121.02805	3.8
121.06508	15.2
121.10127	24.6
123.04423	10.0
123.08070	17.2
123.11700	11.8
125.05981	4.0
127.03906	99.1
127.11230	2.7
127.84856	2.8
128.06242	3.6
129.05487	2.6
129.06995	10.5
130.07762	2.4
131.04964	3.0
131.08557	16.5
133.06476	41.1
133.10121	61.7
135.04378	14.0
135.08052	27.3
135.11696	9.9
137.05956	7.0
137.09593	10.3
137.13255	3.2
139.07469	3.8
141.06914	2.5
142.07751	5.2
143.08531	20.7
145.02834	10.0
145.04962	11.7
145.06483	5.2
145.10127	26.6
147.04381	3.9
147.08032	33.4
147.11671	12.3
149.09589	11.1
151.11197	8.2
155.08507	5.0
156.09296	5.5
157.06464	4.6
157.10088	22.4
159.08060	4.8
159.11671	19.2
161.09596	42.4
161.13211	4.8
163.03888	76.5
163.11134	23.0
165.05475	3.0
165.06987	4.9
165.09103	34.2
166.07785	4.0
167.07231	2.8
167.08632	3.0
169.10138	8.2
170.10942	4.0
171.08038	6.5
171.11665	22.1
173.09592	10.1
173.13240	6.4
175.11191	7.2
179.10628	24.4
181.06503	3.3
181.10133	14.6
183.11694	8.6
184.08949	2.9
185.09615	26.0
185.13237	9.3
187.11159	5.7
187.14839	3.4
189.09100	20.6
189.12703	3.6
191.10658	6.6
195.11655	5.8
197.09677	3.4
197.13290	5.4
199.11174	52.1
199.14821	9.0
201.12901	5.1
203.10667	6.6
205.12245	5.7
207.10135	43.8
207.12025	3.0
211.11316	3.5
211.14783	3.9
213.12625	3.6
213.16431	2.5
215.10706	3.0
217.12233	27.7
219.13908	5.6
223.11263	4.1
225.09009	5.8
225.11198	100.0
225.16199	3.1
227.18031	3.2
229.12277	3.1
235.13051	4.3
237.16219	3.9
241.12289	3.7
251.17940	4.5
253.15994	2.4
253.19128	2.3
255.17503	2.5
257.28134	3.0
259.13324	4.2
259.20612	5.1
267.12195	9.6
269.18857	3.8
271.16629	2.6
277.15277	2.3
279.17480	4.9
287.16763	2.8
287.20047	3.9
297.18454	25.1
313.17999	6.5
315.19574	56.1
331.18997	7.9
333.13242	8.4
333.20569	8.3
333.24127	3.3
351.14304	3.9
357.20490	11.7
369.20627	5.4
375.21521	5.7
393.20471	3.9
413.23233	2.7
421.28253	2.4
423.21625	13.2
441.22610	33.7
459.23431	14.6
477.23032	2.6
639.27863	10.4
657.43292	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	657.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01859	0.9
55.05503	1.3
57.03427	0.7
57.68347	0.5
57.76204	0.5
59.04995	2.6
65.03930	0.7
67.05488	2.5
69.03431	5.8
69.07043	1.4
71.04987	1.0
71.24973	1.0
79.05489	2.3
81.03419	7.6
81.07059	3.9
83.04982	1.3
85.02897	2.0
86.76102	0.5
89.03908	2.3
91.05485	10.5
93.07035	5.4
95.04961	1.1
95.08590	3.7
97.02888	6.9
99.04445	1.9
99.15622	0.6
105.07031	8.9
107.04962	2.2
107.08596	5.4
109.02874	38.3
109.06515	2.6
109.10156	7.0
111.04444	1.7
111.08069	1.9
117.03375	4.3
117.07040	0.7
119.04943	13.5
119.08572	13.1
121.06490	1.3
121.10122	4.2
123.04625	0.9
123.05545	5.5
123.08075	3.4
123.11665	0.9
125.09624	25.1
127.03913	25.6
128.06282	0.8
131.08559	2.1
133.06497	0.9
133.10130	11.9
135.04407	10.6
135.08049	0.8
135.11714	1.1
137.05974	1.8
137.09598	2.1
139.07506	0.6
143.08548	2.1
145.02849	9.0
145.04922	3.0
145.10091	2.0
147.04408	55.3
147.08040	8.1
151.07527	1.6
151.11243	1.0
155.08557	2.2
157.10114	2.1
158.05888	0.6
159.08063	1.9
159.11697	2.6
161.09604	6.6
163.03902	100.0
163.11192	0.9
164.04254	2.2
165.09108	8.0
169.10139	1.1
171.11687	1.9
173.13295	0.8
179.03491	0.8
179.10687	4.9
181.04941	3.1
181.10115	1.0
181.26254	0.6
185.13284	0.8
187.11195	0.8
189.09103	5.8
195.11647	0.6
207.10138	9.1
211.14786	1.6
213.16394	1.5
225.11217	19.3
225.13359	1.3
227.17801	1.1
233.11630	0.7
237.16315	1.9
255.06541	1.8
255.09818	1.3
255.17407	3.6
257.15228	0.8
267.12302	2.3
271.16998	0.7
273.18481	0.7
279.17465	1.0
285.18646	0.8
287.05423	0.6
289.17831	1.3
295.16995	0.8
297.18591	1.4
307.08084	3.4
313.17996	0.9
315.19577	10.5
325.09171	18.7
331.18927	5.1
333.13333	2.7
349.20090	4.4
351.14340	2.7
391.21201	2.7
421.22076	1.0
457.22244	8.0
475.23376	7.2
493.24667	0.8
585.52930	0.6
639.28625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01859	0.9
55.05503	1.3
57.03427	0.7
57.68347	0.5
57.76204	0.5
59.04995	2.6
65.03930	0.7
67.05488	2.5
69.03431	5.8
69.07043	1.4
71.04987	1.0
71.24973	1.0
79.05489	2.3
81.03419	7.6
81.07059	3.9
83.04982	1.3
85.02897	2.0
86.76102	0.5
89.03908	2.3
91.05485	10.5
93.07035	5.4
95.04961	1.1
95.08590	3.7
97.02888	6.9
99.04445	1.9
99.15622	0.6
105.07031	8.9
107.04962	2.2
107.08596	5.4
109.02874	38.3
109.06515	2.6
109.10156	7.0
111.04444	1.7
111.08069	1.9
117.03375	4.3
117.07040	0.7
119.04943	13.5
119.08572	13.1
121.06490	1.3
121.10122	4.2
123.04625	0.9
123.05545	5.5
123.08075	3.4
123.11665	0.9
125.09624	25.1
127.03913	25.6
128.06282	0.8
131.08559	2.1
133.06497	0.9
133.10130	11.9
135.04407	10.6
135.08049	0.8
135.11714	1.1
137.05974	1.8
137.09598	2.1
139.07506	0.6
143.08548	2.1
145.02849	9.0
145.04922	3.0
145.10091	2.0
147.04408	55.3
147.08040	8.1
151.07527	1.6
151.11243	1.0
155.08557	2.2
157.10114	2.1
158.05888	0.6
159.08063	1.9
159.11697	2.6
161.09604	6.6
163.03902	100.0
163.11192	0.9
164.04254	2.2
165.09108	8.0
169.10139	1.1
171.11687	1.9
173.13295	0.8
179.03491	0.8
179.10687	4.9
181.04941	3.1
181.10115	1.0
181.26254	0.6
185.13284	0.8
187.11195	0.8
189.09103	5.8
195.11647	0.6
207.10138	9.1
211.14786	1.6
213.16394	1.5
225.11217	19.3
225.13359	1.3
227.17801	1.1
233.11630	0.7
237.16315	1.9
255.06541	1.8
255.09818	1.3
255.17407	3.6
257.15228	0.8
267.12302	2.3
271.16998	0.7
273.18481	0.7
279.17465	1.0
285.18646	0.8
287.05423	0.6
289.17831	1.3
295.16995	0.8
297.18591	1.4
307.08084	3.4
313.17996	0.9
315.19577	10.5
325.09171	18.7
331.18927	5.1
333.13333	2.7
349.20090	4.4
351.14340	2.7
391.21201	2.7
421.22076	1.0
457.22244	8.0
475.23376	7.2
493.24667	0.8
585.52930	0.6
639.28625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.1
67.05492	2.8
69.07052	0.9
69.68085	0.7
71.04987	0.9
71.61169	1.1
79.05490	1.7
81.07047	2.9
91.05479	2.7
93.07034	2.3
95.04980	1.3
95.08606	2.0
97.06543	1.1
105.07049	2.0
107.08610	1.6
119.08552	2.0
131.08525	0.9
133.10156	1.4
135.11696	1.0
145.10127	0.9
169.30421	0.7
227.12692	1.0
235.10139	0.7
249.14926	0.8
275.20026	1.3
317.55414	0.8
329.42783	0.9
365.23294	0.9
383.51883	0.8
398.13782	1.6
400.16489	2.3
410.08853	0.8
412.15125	2.4
416.14883	1.6
418.17511	2.0
426.17444	1.2
427.17761	11.0
428.16547	3.1
437.15900	0.9
445.18915	0.8
446.17245	2.5
455.17206	14.8
456.17697	1.7
458.15945	1.0
459.16629	2.8
469.18912	0.9
473.18506	1.1
480.14102	1.0
482.15613	1.0
483.16693	22.4
484.16986	1.2
487.15952	4.8
488.16013	1.0
499.15961	4.3
500.17062	1.0
507.17090	1.0
511.15958	1.7
513.17413	1.3
519.16772	1.2
523.16443	2.0
527.15656	43.9
528.15869	4.0
537.17694	2.1
538.18262	1.0
568.18628	1.7
569.20599	1.0
586.20831	1.4
614.20129	1.8
629.22473	25.6
630.22992	1.9
639.28235	1.3
639.42212	1.4
657.21851	100.0
658.22162	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	656.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.3
53.12600	0.3
55.01862	0.4
55.05503	0.6
56.96561	0.4
57.03418	0.8
58.06585	0.9
59.07359	0.5
60.04538	1.7
60.08166	11.0
63.02367	0.7
64.92500	0.3
65.03947	0.5
67.05476	1.5
69.03411	0.7
69.07050	1.0
69.40849	3.3
70.06581	0.8
71.04968	0.8
71.17159	0.3
72.08151	0.5
79.05498	2.9
81.03423	2.8
81.07071	3.5
82.07369	0.4
83.04968	0.6
85.02427	0.4
85.02905	5.2
85.06514	0.7
86.50771	0.4
89.03919	8.2
91.05470	1.5
93.07029	1.3
95.04955	1.2
95.08581	2.0
97.02885	2.1
97.06509	0.9
102.09185	8.2
103.03305	0.5
103.03950	6.9
103.05467	7.0
105.07007	1.3
107.04951	3.0
107.08586	1.5
108.08098	0.4
109.02863	0.7
109.06504	0.4
109.10125	1.2
111.04426	0.4
113.06030	0.4
117.03383	9.1
119.04919	0.6
119.08584	0.6
121.02878	2.6
121.06498	0.5
121.10143	0.4
123.08028	0.6
123.11745	0.6
127.03873	0.9
129.05463	1.1
131.04930	15.5
131.08575	0.6
133.02710	0.4
133.10110	0.8
135.04424	22.9
135.11707	0.5
136.04642	0.4
136.07608	0.6
137.05988	1.4
137.09592	0.4
137.13220	0.8
145.02847	17.3
145.06488	0.4
145.10179	0.4
146.03145	0.5
147.04417	1.3
151.07495	0.5
154.08624	1.0
159.11656	0.5
161.05972	0.8
161.09581	0.3
162.10207	0.3
162.11255	14.3
163.03906	100.0
167.07045	0.4
172.09697	0.7
177.05464	2.0
180.93605	0.3
186.05486	0.8
242.13847	1.9
440.30121	2.2
458.31088	3.7
476.32220	1.4
531.15222	0.4
612.24078	0.4
656.23395	83.3
657.14429	0.4
657.23834	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	656.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.2
53.00305	0.2
53.03938	0.3
55.01871	0.6
55.05517	0.4
57.03432	0.2
61.02900	0.2
65.03948	1.1
67.05507	0.8
69.03436	1.0
69.07085	0.3
70.13094	0.2
71.59623	0.3
73.02908	0.3
73.56236	0.2
74.01276	0.2
76.00537	0.2
77.03881	0.2
79.05485	2.0
81.03422	0.6
81.07063	0.4
82.04192	0.5
85.02914	2.0
85.06564	0.2
87.00793	0.2
91.05472	0.7
93.07069	0.4
95.04985	1.1
95.08573	0.3
96.17641	0.2
97.02893	100.0
97.06533	0.5
98.03220	1.0
99.04469	0.5
103.05461	0.3
105.07061	1.0
107.04953	4.5
107.08600	0.3
109.02866	0.4
109.06528	0.5
109.10175	0.2
110.03659	0.6
111.04458	0.4
115.05416	0.3
117.03381	0.2
117.07015	0.2
118.07251	0.2
119.04958	0.5
121.02860	0.3
121.06540	0.5
121.10166	0.2
121.69055	0.2
123.04420	0.9
124.05215	0.6
125.06006	1.0
127.03919	0.8
129.06969	0.5
131.04953	0.6
133.06512	1.7
135.04419	0.4
136.03876	0.3
137.05965	1.2
138.03120	0.2
142.02629	0.7
145.02867	0.7
145.04977	0.3
145.06456	0.4
146.03189	0.4
147.04420	2.1
150.03143	0.6
151.03894	0.8
151.07559	0.4
153.05460	0.6
157.06442	0.2
159.02916	0.3
159.04364	0.2
160.05215	0.4
161.05977	2.8
163.07448	0.3
165.05498	2.2
166.02524	0.2
167.07040	1.7
167.08290	0.3
168.04173	0.6
169.09077	0.2
171.06584	1.6
173.05933	0.3
174.06737	0.2
175.07498	0.4
177.05470	2.1
177.09085	0.3
178.05879	0.6
179.06755	0.2
181.04956	35.8
181.08278	1.1
182.05315	0.5
188.04704	0.4
189.05449	0.6
189.09117	1.0
191.07045	0.5
193.04947	2.4
193.08633	1.4
196.03638	0.5
204.04187	0.3
205.04878	0.2
205.08635	0.5
206.05750	0.7
207.06561	0.2
211.06015	46.3
212.06340	0.5
219.06499	0.5
219.10246	0.2
221.08075	3.1
223.05925	0.4
231.06563	0.3
233.08061	2.2
234.05220	0.4
249.07588	7.5
252.08536	0.2
253.08905	0.2
267.10257	0.2
277.07074	23.7
278.07391	0.6
280.94461	0.2
285.11267	0.4
295.08127	14.9
296.08572	0.4
311.11276	0.3
313.09167	7.3
317.13611	0.3
343.15302	0.5
361.16498	3.5
373.16382	0.3
656.33862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66091	0.2
55.05507	0.2
57.07048	0.2
67.05508	0.3
69.92230	0.9
75.04478	0.3
79.05464	0.2
81.07061	0.3
83.04978	0.8
91.05483	0.3
93.07029	0.3
121.10159	0.2
121.61391	0.2
133.10062	0.1
166.52509	0.2
175.01465	0.3
181.02647	0.7
227.04706	0.2
266.92947	0.2
313.12051	0.5
377.17798	0.5
391.19400	0.9
392.19998	0.5
393.21030	0.3
405.16516	1.6
405.21124	0.6
406.17300	0.3
406.21649	0.6
407.22482	3.6
408.22681	0.3
418.17551	0.4
419.18103	2.2
419.23413	0.4
420.18762	1.3
421.19556	1.0
423.22217	0.2
432.19101	0.4
432.29996	0.2
433.15558	0.3
433.20657	4.6
434.15826	0.3
434.21048	4.0
435.21869	7.2
436.22714	0.8
445.20154	0.3
446.21158	0.4
447.17844	1.1
447.22168	1.5
448.18872	0.7
448.23294	0.5
449.19342	1.8
451.21164	0.4
459.22266	0.3
460.23007	0.2
461.19489	1.0
461.23981	0.7
462.20258	4.3
463.21216	4.4
464.21957	0.3
465.22928	0.3
475.21368	1.2
476.22159	1.2
477.22888	1.7
478.23550	0.5
479.20251	0.4
481.26147	0.3
482.26901	0.2
489.22974	1.2
490.23721	0.3
492.21497	0.2
493.21237	0.8
493.27377	0.2
495.23712	1.0
505.22049	0.5
506.23486	0.4
507.20456	0.6
507.25308	1.0
508.24652	1.9
509.25589	1.7
517.22516	0.4
519.24066	0.2
520.24646	0.3
521.25659	11.0
522.26178	0.4
535.26471	0.9
540.28009	0.2
543.18597	0.2
547.27307	0.3
549.24982	17.1
550.25464	0.8
553.24091	1.0
563.26666	3.2
564.27112	0.7
565.27759	0.5
577.24634	0.6
581.27734	3.3
595.29315	10.5
596.29565	0.5
599.25507	0.4
607.29181	0.4
609.27094	11.3
610.27588	0.4
623.28833	1.3
627.31415	0.2
655.31226	100.0
656.31488	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	655.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01871	5.2
55.05504	3.5
57.03430	1.9
57.07072	0.9
65.03930	2.0
67.01843	1.5
67.05508	14.5
68.99790	12.2
69.03074	1.0
69.03432	10.4
69.07068	4.2
71.01343	1.5
71.04995	8.9
73.02924	1.2
77.03960	0.7
79.05489	12.7
81.03412	9.8
81.07056	14.6
83.01342	1.3
83.04989	3.4
83.08611	2.5
85.02908	4.1
85.06543	0.9
91.05479	17.3
93.07043	21.4
95.04965	8.8
95.08607	18.7
97.02891	10.3
97.06532	5.6
97.10119	0.8
99.04443	2.6
99.08082	0.8
103.03928	1.0
103.05461	3.9
105.03380	3.1
105.07030	30.6
107.04946	6.5
107.08596	24.3
109.02877	16.7
109.06525	7.5
109.10154	27.3
110.10512	0.8
111.00810	3.1
111.04460	9.8
111.08070	3.1
113.06012	2.4
115.05436	4.2
117.07004	6.6
119.04955	6.5
119.08578	35.9
121.02863	2.7
121.06501	11.0
121.10139	13.2
123.04436	13.1
123.08071	6.6
123.11718	4.5
125.06001	1.7
125.09673	1.5
127.03918	21.6
128.06215	2.8
129.07011	3.9
131.04938	1.6
131.08562	6.5
133.02789	0.8
133.06494	23.0
133.10126	26.6
134.10474	0.8
135.04407	1.7
135.07097	1.4
135.08054	15.2
135.11696	5.7
137.05980	8.9
137.09633	3.6
137.13164	1.1
139.03894	14.7
139.07520	1.4
141.05428	1.1
141.06995	1.7
142.07747	2.3
143.04927	1.3
143.08571	7.3
144.05779	0.9
145.04959	1.2
145.06490	2.7
145.10123	7.9
146.07213	1.3
147.04410	15.3
147.08049	16.4
147.11667	3.4
148.08600	0.8
149.02318	2.7
149.06013	4.1
149.09625	6.5
151.03903	9.4
151.07530	2.4
151.11166	2.8
153.01799	3.2
153.05623	0.9
153.09090	0.8
155.07091	0.9
155.08554	2.5
156.09369	1.5
157.06490	2.7
157.10124	7.0
159.08014	2.9
159.11699	6.4
161.05986	16.3
161.07289	0.6
161.09605	17.5
161.13275	1.2
162.09944	0.7
163.03883	10.0
163.07559	2.4
163.11163	7.1
163.14728	0.8
165.05498	9.2
165.06902	1.5
165.09113	16.5
166.07820	1.6
167.08545	1.7
169.10141	2.5
171.04364	2.3
171.08055	3.8
171.11685	6.0
173.05972	1.7
173.08093	4.9
173.09633	2.1
173.13260	2.7
175.03923	4.4
175.07542	3.2
175.11154	2.6
175.14871	0.9
177.05426	6.4
177.09102	1.1
177.12732	0.9
178.05835	0.9
179.03412	2.2
179.07043	17.9
179.10657	9.8
181.04968	2.4
181.08621	1.9
181.10129	3.7
181.12117	1.2
183.11737	2.4
185.05974	1.2
185.09615	5.9
185.13245	2.7
187.11214	4.2
187.14789	1.4
189.05475	33.0
189.09099	15.5
189.12732	2.1
191.03389	3.5
191.07138	3.3
191.10718	2.4
193.04968	31.2
193.08632	1.1
195.11656	1.7
197.08073	4.3
197.09683	1.8
197.13417	1.6
199.03900	2.1
199.07541	2.0
199.11201	11.9
199.14850	3.2
200.04749	1.3
201.05464	1.7
201.09190	1.1
201.12662	1.6
203.03339	1.3
203.07051	2.0
203.10643	2.5
205.04958	1.9
205.12245	2.0
207.06580	1.5
207.10178	13.9
207.12029	1.1
209.07996	2.4
209.11584	1.3
209.13338	1.6
211.14912	2.1
213.05368	2.0
213.09100	1.6
213.12708	2.1
215.07101	2.0
217.04964	100.0
217.08511	4.5
217.12090	5.5
218.05396	1.1
219.02942	0.9
219.06563	6.0
219.13760	2.9
221.04677	1.0
221.08118	14.2
223.14909	0.9
225.09007	1.3
225.11208	26.6
225.16168	1.1
227.17972	1.2
229.12286	0.9
231.06659	1.6
231.10162	1.5
233.08099	2.1
235.06004	51.8
235.09741	3.1
237.16388	2.8
241.08646	5.4
241.12283	1.1
245.04424	3.0
245.08000	5.0
247.09517	1.0
249.11189	4.4
251.17871	1.3
253.07068	3.0
255.17496	2.0
259.09625	5.9
259.13300	1.4
261.07651	1.3
263.09146	51.9
267.12274	21.8
269.08105	5.0
269.19016	3.2
270.65253	0.8
273.18509	2.6
275.09021	1.3
279.17444	3.5
287.09152	33.8
287.16299	1.7
287.20056	3.2
289.10751	1.6
295.11520	3.8
297.18463	9.6
305.10211	23.0
313.17917	1.2
315.19559	26.1
323.11246	7.2
331.19043	1.2
333.13501	1.2
333.20645	2.8
349.20172	1.3
351.14230	1.0
356.14038	1.3
356.64188	1.2
357.20676	2.0
369.20404	0.9
375.21704	7.4
379.05667	0.8
391.21457	0.8
393.20496	1.0
423.21619	1.8
429.19034	1.3
433.14795	3.1
441.15442	2.1
441.22662	6.1
442.22446	0.9
459.23517	1.7
464.99356	0.7
499.23523	0.9
517.24146	4.9
531.23737	0.8
549.24866	6.6
552.79254	0.8
567.26263	1.3
619.28754	2.8
637.27136	1.6
655.28564	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	655.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03933	2.3
55.01865	2.5
55.05500	2.5
57.03417	1.0
59.04983	0.9
65.03932	0.8
67.05492	6.8
69.03419	7.5
69.07055	2.2
71.01322	0.7
71.04973	1.8
71.59550	0.9
73.02900	0.6
77.03902	0.8
79.05479	5.5
81.03409	14.2
81.07050	6.5
83.04970	2.1
83.08605	1.0
85.02880	2.2
85.77109	0.4
87.04456	0.6
89.03925	0.8
89.12962	0.5
91.05467	11.0
93.03398	0.6
93.07030	13.1
95.04953	4.1
95.08592	8.3
97.02881	17.3
97.06525	1.8
99.04432	3.4
103.05453	41.2
105.03418	0.6
105.07014	17.6
106.07312	0.6
107.04927	3.8
107.08581	14.5
109.02866	44.0
109.06498	5.6
109.09446	1.0
109.10143	12.1
111.04422	6.0
111.08070	4.3
113.05997	1.0
115.03902	0.9
115.05447	1.7
117.03388	0.7
117.06980	3.3
119.04891	1.6
119.08567	30.8
121.06528	3.5
121.10136	9.1
121.10934	1.0
123.04411	5.1
123.08068	5.9
123.10897	0.5
123.11672	3.1
125.05984	1.2
125.09620	30.4
127.03907	39.1
128.06215	1.4
129.06973	2.2
130.07808	0.6
131.04913	100.0
131.08508	3.0
132.05261	1.2
133.02872	2.5
133.06487	9.9
133.10110	24.1
135.04408	3.1
135.08028	6.6
135.11702	3.5
137.05968	10.9
137.09583	3.7
139.05333	0.6
139.07526	1.1
141.06987	1.5
142.07797	0.6
143.08517	5.3
144.05663	0.6
144.09225	0.6
145.02783	1.0
145.04938	4.0
145.06477	2.6
145.10107	5.2
146.03664	1.0
147.04385	2.1
147.08023	13.0
147.11671	1.3
149.09607	2.9
151.03899	1.9
151.07539	1.7
151.11153	3.4
153.06996	0.7
153.09081	0.6
155.08504	1.6
156.09349	0.6
157.06496	0.6
157.10110	3.0
159.08023	1.6
159.11684	2.7
160.05217	1.0
161.05991	2.8
161.09596	13.8
163.03893	7.4
163.07524	37.4
163.11139	3.6
164.07913	0.8
165.05600	1.1
165.06973	3.0
165.09103	16.0
165.10509	1.0
167.07022	2.3
167.08397	1.2
169.06459	1.3
169.10150	1.3
171.07921	1.1
171.11655	3.6
173.09692	1.0
173.13228	1.0
175.07526	6.2
175.11145	1.3
177.05415	1.2
177.09160	1.0
179.03378	36.2
179.10640	11.2
180.03748	0.7
181.04919	1.2
181.06464	1.1
181.10081	1.9
181.12201	0.8
182.07222	0.8
183.08099	2.0
183.11720	0.8
184.07307	1.1
185.06073	1.1
185.09615	3.2
185.13159	0.8
187.07532	2.3
187.11205	1.2
187.14850	1.4
189.05518	1.3
189.09056	11.2
189.12764	0.8
191.06987	0.7
191.10693	1.2
193.06467	1.3
195.11682	0.8
197.05927	1.0
197.09612	0.7
197.13226	0.7
199.07504	1.4
199.11162	6.7
199.14783	1.2
201.09129	2.1
205.08568	1.2
207.08284	0.6
207.10126	17.4
209.06001	0.8
209.11688	1.1
210.06772	1.4
211.07552	2.1
213.12694	0.8
215.10660	1.6
217.08583	1.5
217.12202	3.1
221.05974	1.8
224.08194	0.8
225.09132	2.8
225.11169	39.1
226.11635	0.8
227.07021	0.8
227.12639	0.8
229.08519	2.9
235.13226	0.6
238.06314	2.2
239.07045	2.7
241.08650	1.2
241.12238	0.7
243.10193	2.9
243.12288	0.6
249.11192	1.4
251.17938	0.5
253.08578	29.9
253.15771	0.9
254.09242	2.2
255.17390	0.8
267.12262	5.5
269.19077	1.0
271.09622	20.6
271.16864	0.7
273.03928	1.3
273.18411	0.6
279.17227	0.7
287.20016	1.1
289.10724	1.4
289.18057	0.6
297.13422	1.1
297.18411	3.7
301.03568	0.8
313.18024	1.5
315.12115	0.7
315.19547	9.0
323.07639	2.3
328.80536	0.6
331.19034	6.3
333.13339	4.3
333.20560	1.7
349.20038	4.6
351.14349	3.3
357.20514	1.3
381.16864	0.7
391.21228	2.7
413.16278	0.8
421.22147	1.5
423.21548	1.5
439.22006	0.6
441.22681	4.3
451.23627	0.7
457.22107	3.8
459.23816	1.4
475.22980	3.4
601.28070	3.0
619.28662	3.2
655.25842	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2763
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
67.05502	0.5
69.07081	0.3
71.37325	0.5
71.37694	0.4
79.05490	0.6
81.07060	0.8
91.05503	0.6
93.07039	0.4
95.04964	0.5
97.06519	0.2
107.04961	0.3
107.08606	0.4
109.10110	0.3
119.08596	0.3
121.10147	0.3
125.65911	0.3
131.08644	0.4
184.09943	0.3
196.63194	0.2
202.40538	0.3
225.10338	0.4
239.11835	0.3
375.15848	0.5
376.17017	0.5
377.17719	0.8
378.18503	0.4
382.11017	0.3
389.17795	0.4
390.18463	0.6
391.19501	2.1
392.19809	1.1
393.20850	1.1
404.16071	0.6
404.20605	0.4
405.16428	2.5
405.20999	1.2
406.17606	0.9
406.21594	0.8
407.22504	4.2
408.23151	0.5
417.16718	0.4
418.17465	1.4
419.04691	0.3
419.18253	4.3
420.19141	1.9
421.20047	1.5
423.17950	0.4
431.18658	0.5
432.19629	0.7
433.20432	9.6
434.21115	5.5
435.21875	5.6
437.19901	0.8
439.21173	0.3
445.20444	0.5
447.17929	1.4
447.22278	1.4
448.18558	0.7
449.19556	1.3
451.21481	0.4
461.18869	1.7
462.20245	2.2
463.21567	3.1
464.21802	0.4
465.18527	1.5
475.21036	0.7
478.19901	0.4
479.20078	1.2
480.21661	0.3
489.23425	0.5
490.20340	0.8
491.21024	1.0
492.21271	0.4
493.21622	1.6
495.20218	0.4
503.21036	0.4
505.22421	0.6
506.23526	0.3
507.20190	0.3
507.24048	0.3
508.21207	0.9
509.22147	0.7
517.22345	0.6
520.25250	1.3
521.25812	6.8
522.25598	0.4
523.27264	0.4
534.23016	0.3
535.22778	0.5
537.22363	0.3
537.55695	0.3
548.24304	1.0
549.25043	11.7
550.25012	0.8
551.23425	0.4
552.23633	0.7
565.24475	1.3
567.25610	0.3
577.24469	8.6
578.24615	1.3
579.22656	0.7
580.26764	1.6
581.27606	2.3
595.25562	5.2
596.25763	0.6
609.27014	2.7
612.25800	0.4
637.26599	4.6
655.27618	100.0
656.27966	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	655.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.8
51.52910	0.7
52.44241	0.6
53.03949	4.7
54.77470	0.6
55.01860	1.9
55.05501	3.0
57.03431	1.5
57.07089	0.8
59.04990	1.2
65.03941	1.0
67.01862	1.4
67.05167	0.9
67.05505	12.0
69.03435	11.4
69.07075	3.3
71.05009	3.6
71.05327	0.7
71.22475	1.6
73.02933	1.2
77.03928	0.9
78.35942	0.7
79.05495	10.3
81.03420	20.4
81.07061	12.3
83.01325	1.2
83.04984	4.1
83.08618	2.7
85.02915	4.0
91.05484	12.6
93.07050	20.7
95.04971	5.7
95.08610	16.8
97.02898	22.2
97.06548	4.2
99.04447	5.9
103.05484	1.4
104.13640	0.6
105.07039	29.6
107.04964	2.9
107.08600	23.1
109.02886	64.6
109.06529	8.4
109.10160	22.5
111.04445	8.5
111.08085	4.1
113.06018	1.7
115.03999	0.9
117.03378	1.2
117.07024	3.4
119.08588	43.0
120.08904	0.8
121.02881	1.3
121.06507	5.0
121.10151	12.2
123.04428	11.4
123.08083	7.9
123.11712	5.1
125.05984	2.0
125.09634	14.4
127.03924	78.2
128.04306	0.8
128.06241	2.0
129.06996	2.1
130.07825	1.0
131.04962	1.0
131.08569	6.0
133.02863	7.1
133.06500	17.8
133.10138	32.9
135.04414	2.6
135.08055	9.2
135.11720	5.6
137.05968	2.5
137.09618	4.1
139.07504	1.4
142.07796	1.6
143.08549	8.2
145.02855	0.8
145.04979	6.1
145.06435	2.1
145.10124	8.7
147.04417	1.7
147.08055	16.9
147.11696	2.8
149.09618	3.5
151.03925	3.7
151.07503	1.2
151.11189	3.2
155.08566	1.3
156.09346	1.3
157.10150	5.0
159.08066	1.4
159.11719	6.8
161.09625	22.0
161.13251	1.9
163.03902	2.7
163.07573	2.2
163.11186	7.3
165.06998	1.4
165.09131	23.9
166.07808	1.2
167.08562	1.3
169.10114	2.3
171.08080	2.8
171.11723	6.4
173.02370	0.8
173.09604	2.3
173.13272	2.9
175.11113	1.7
177.05522	1.4
177.09076	1.9
179.03407	100.0
179.10683	15.9
180.03726	1.0
181.10075	1.9
181.12291	0.8
183.11734	1.2
185.09590	5.6
185.13260	2.2
187.07530	0.8
187.11192	3.7
187.14864	1.0
189.09120	17.4
189.12769	1.6
191.10669	2.9
195.11731	1.5
197.09608	1.3
197.13287	1.7
199.11189	13.4
199.14902	2.7
201.09129	0.8
201.12814	1.2
203.10670	1.4
205.12218	0.8
207.10164	27.7
207.12018	1.6
208.10582	0.7
209.11726	2.1
209.13402	0.9
211.11136	1.1
213.12737	1.7
217.12234	5.4
219.13808	1.3
223.14850	0.9
225.11229	60.3
226.11591	1.6
227.10707	1.2
229.15652	0.7
231.13855	1.0
235.13191	1.1
237.16376	1.3
241.12244	0.8
243.12299	1.4
249.11292	1.4
251.17941	2.0
255.14024	0.8
255.17429	2.3
259.09711	1.1
267.12259	13.5
267.17139	0.8
269.19025	2.8
273.18533	2.1
279.17456	2.4
287.16904	0.9
287.20065	3.1
295.17023	1.4
297.13464	0.8
297.18512	9.7
307.26428	1.0
313.18008	2.2
315.19577	18.1
316.20099	1.4
323.07629	3.6
331.19098	3.2
333.13333	13.0
333.20636	3.2
348.13205	1.6
349.19955	2.0
351.14322	7.6
357.20847	2.1
369.20377	1.0
375.21515	1.9
405.21631	0.9
423.21686	1.8
441.22668	6.5
442.23184	0.9
457.22284	2.0
459.23697	3.9
475.23181	1.2
477.24149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.1
55.01875	1.2
55.05523	2.1
57.03431	1.1
57.07072	1.2
57.32325	0.8
67.05502	8.4
69.03426	7.4
69.07067	2.2
69.69728	1.8
69.70130	6.0
71.04981	2.5
72.53564	0.8
79.05490	8.5
80.73797	0.8
81.03423	18.6
81.07056	9.0
83.01335	0.9
83.04981	3.1
83.08615	1.1
85.02901	1.9
89.03899	1.3
89.94977	0.7
91.05487	11.8
91.06029	1.5
93.07049	14.6
95.04965	2.7
95.08610	13.4
97.02900	11.8
97.06541	3.9
99.04478	3.7
99.08066	1.3
103.05495	0.9
104.39265	0.8
105.07027	16.7
107.04960	4.1
107.08601	14.8
109.02885	44.5
109.06550	5.1
109.07162	0.8
109.10160	14.1
111.04441	7.3
111.08096	2.6
113.05985	0.9
115.05431	1.3
117.07008	3.0
119.04970	2.4
119.08585	32.1
121.06519	3.7
121.10152	9.4
123.04431	8.9
123.08083	5.8
123.11723	3.9
127.03922	60.6
128.06233	2.5
129.07016	2.6
130.07828	0.9
131.04906	1.7
131.08569	3.8
133.02864	9.6
133.06505	9.0
133.10135	26.4
135.04431	2.9
135.08061	4.6
135.11699	3.3
137.06000	3.3
137.09634	3.8
139.07535	1.0
141.06921	1.1
142.07793	1.3
143.08574	6.4
145.04964	5.6
145.06467	1.4
145.10097	5.4
147.04388	2.7
147.08052	15.3
147.11703	2.5
149.09604	3.7
151.03897	5.2
151.07564	2.8
151.11224	2.5
155.08528	1.0
157.10153	4.3
159.11743	4.7
161.05989	2.2
161.09622	18.5
161.13319	1.1
163.03899	1.9
163.07501	1.8
163.11205	4.1
165.09132	14.5
167.07068	2.9
169.10120	1.4
171.11716	2.5
173.06058	1.1
173.09583	1.4
173.13293	2.4
175.11176	2.2
177.05464	2.4
178.05878	1.0
179.03403	100.0
179.10666	11.5
180.03787	1.7
181.04942	1.1
181.10101	1.1
185.09656	3.5
185.13319	1.8
187.07565	1.0
187.11240	1.8
189.09122	12.0
191.07013	1.3
191.10703	1.1
193.04941	1.3
193.08635	1.6
193.12279	1.0
195.11752	1.9
197.13326	1.2
199.11220	4.2
199.14786	1.5
205.08681	1.0
207.10167	23.6
207.12039	1.7
209.11734	1.6
213.12862	0.9
217.05014	2.3
217.12257	1.5
219.13866	1.6
221.08212	1.5
225.11234	46.8
226.11543	1.5
227.10712	1.0
235.06078	1.4
241.12437	1.2
249.11182	0.9
255.17410	1.7
259.09604	1.0
263.09250	1.6
267.12274	18.8
269.19156	2.2
271.20560	1.3
273.18588	2.0
279.17395	2.3
283.15561	1.6
287.09158	3.0
287.20248	2.0
297.13541	1.2
297.18524	6.3
298.55194	1.0
305.10065	1.6
313.18130	1.3
315.15976	0.6
315.19586	14.9
331.18997	1.6
333.13336	19.7
333.20938	1.5
334.13794	0.9
351.14444	7.1
355.15005	1.3
375.21368	1.4
391.19849	0.9
423.21097	1.0
441.22586	4.8
459.23685	1.8
475.26953	2.5
547.17749	1.6
565.21411	1.4
640.49750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02904	0.7
51.14432	0.8
53.03938	4.1
55.01873	2.6
55.05514	3.9
57.03434	2.9
57.07061	1.3
65.03956	1.7
67.05507	13.4
69.03432	10.6
69.07065	4.0
70.67233	0.9
70.80455	1.0
70.95481	2.6
71.01305	0.8
71.05002	3.9
73.02912	1.1
75.97684	0.7
79.05495	11.6
81.03416	20.1
81.03855	1.4
81.07059	13.2
83.01331	1.3
83.04978	4.5
83.08609	2.0
85.02914	3.4
91.05480	16.3
91.06015	1.5
93.07047	21.6
95.04968	6.5
95.08611	18.0
97.02902	15.3
97.05988	0.8
97.06535	3.8
99.04465	4.7
99.08122	0.9
100.93723	0.8
103.05471	1.1
104.14293	0.8
105.07032	28.9
107.04974	5.3
107.08601	29.9
109.02886	42.0
109.06521	8.3
109.10162	24.6
111.04449	14.3
111.08074	4.8
113.06034	1.6
115.05472	1.1
117.07046	4.6
119.05025	1.7
119.08582	44.3
120.08900	1.1
121.06515	5.2
121.10144	12.9
123.04424	10.0
123.08060	9.3
123.11733	4.1
125.05981	1.6
125.09666	2.4
127.03920	68.0
128.06271	2.4
129.07007	3.1
131.08556	7.5
133.02858	7.6
133.05498	1.2
133.06499	23.3
133.10132	33.4
135.04420	1.6
135.08057	12.3
135.11702	6.3
137.05994	2.9
137.09613	4.0
137.13261	1.1
139.07549	0.9
141.07002	1.2
142.07802	2.1
143.08565	8.8
145.04951	5.7
145.06488	2.0
145.10136	9.4
146.07352	0.9
147.08037	16.9
147.11699	3.8
149.06070	0.9
149.09608	7.2
149.13216	1.1
151.03949	3.2
151.07545	1.1
151.11217	3.5
155.08557	1.9
156.09357	2.9
157.06551	1.7
157.10155	9.3
159.08017	1.5
159.11676	8.0
161.09613	21.8
161.13280	1.4
162.90913	0.9
163.03967	1.6
163.07542	1.8
163.11203	8.8
164.11353	1.2
165.07042	1.9
165.07661	1.1
165.09119	19.2
166.07790	1.6
169.10187	3.0
171.08075	3.1
171.11690	7.1
173.09650	1.8
173.13277	4.4
175.11136	2.8
177.05504	1.1
179.03401	100.0
179.10669	16.0
180.03770	1.3
181.10132	4.5
181.12234	0.9
183.11681	2.1
185.09596	7.1
185.13304	3.8
187.11168	4.5
187.14882	2.1
189.09122	15.3
189.12827	2.6
191.10696	3.1
193.10277	1.2
195.11696	2.3
197.09560	0.9
197.13185	2.2
199.11176	13.9
199.14824	2.6
201.12862	1.2
203.10628	1.5
205.12283	1.5
207.10158	20.8
209.11618	1.5
209.13362	1.7
211.14876	2.5
211.16829	0.8
212.11995	1.1
213.12700	1.6
215.10774	1.4
217.12254	7.4
223.14941	1.7
225.11217	52.6
226.11522	1.3
227.10732	1.2
227.17946	1.4
231.13834	1.4
237.16489	1.6
239.12772	1.0
249.11197	1.7
251.17996	3.0
253.16220	1.1
255.17526	1.6
267.12234	9.2
269.19028	3.2
273.18512	1.9
273.98465	0.9
279.17450	2.5
283.15472	0.9
287.20099	4.1
297.13361	1.3
297.18500	12.2
313.17700	1.2
315.19550	26.4
316.19861	1.3
323.07709	6.1
331.19241	2.6
333.13419	10.7
333.20526	2.5
335.06036	0.9
351.14297	4.9
357.20560	3.3
375.21771	1.7
423.21768	3.6
429.18707	1.0
433.18442	7.0
441.22684	10.0
459.23807	4.3
467.31555	1.1
471.09659	0.9
655.16260	4.4
655.30487	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	655.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.8
51.85642	0.6
53.03942	3.3
55.01863	2.0
55.05504	3.5
55.96980	0.7
57.03426	2.5
57.07066	1.3
59.04998	1.1
64.54992	0.7
65.03951	1.8
67.05162	1.1
67.05505	11.2
67.59410	0.8
68.05836	0.8
69.03432	9.9
69.07074	4.8
69.46610	4.9
69.47036	1.9
70.06613	0.8
71.04991	3.1
72.08152	0.8
73.02932	0.9
79.05493	9.6
81.02979	1.5
81.03424	18.7
81.07060	16.0
82.03744	0.9
82.07384	1.2
83.04982	4.3
83.08630	3.1
85.02907	5.5
85.06540	1.3
89.03927	1.0
91.05482	12.9
93.07057	17.4
94.11425	0.9
95.04971	4.6
95.08603	14.0
97.02905	16.3
97.06522	3.1
97.10226	0.8
98.03757	0.9
98.20728	0.9
98.97552	0.8
99.04470	4.7
103.05498	3.9
103.57541	0.7
105.07042	27.1
106.07383	3.1
107.04961	3.9
107.07862	1.1
107.08601	20.6
108.08949	1.3
109.02888	41.3
109.06527	7.1
109.09016	1.0
109.10165	20.6
110.03181	1.4
110.10510	0.8
111.04465	8.5
111.08083	4.4
113.06052	0.9
115.03986	0.8
115.05453	0.8
117.03400	0.9
117.07074	4.2
119.08591	36.3
120.08929	2.1
121.02850	1.0
121.06525	5.2
121.10139	9.3
123.04446	8.6
123.08064	5.8
123.11721	5.2
125.09651	4.5
127.03929	56.5
128.04279	1.9
128.06204	2.6
129.06981	2.8
129.09140	2.5
131.04944	5.4
131.08572	5.7
133.02869	6.7
133.06511	12.9
133.10144	26.5
134.10497	1.2
135.04434	2.3
135.08058	9.2
135.11710	5.2
137.05991	4.6
137.09653	4.2
137.13252	2.1
139.07556	1.0
141.07071	1.4
142.07733	1.8
143.08592	6.5
145.02841	1.4
145.04962	4.0
145.06482	2.0
145.10141	7.4
147.04408	1.6
147.08055	15.5
147.11661	3.0
148.08424	1.0
149.05914	1.2
149.09651	4.2
151.03955	4.1
151.07553	1.8
151.11185	3.7
153.07033	1.1
155.08539	2.2
156.09329	1.8
157.10170	4.7
159.08083	2.0
159.11722	5.5
161.06027	1.0
161.09624	15.2
161.13254	1.4
162.10016	1.0
163.03891	3.9
163.07556	5.3
163.11195	5.5
165.06984	1.3
165.09120	16.5
166.07884	1.3
166.09416	1.5
167.07103	1.2
169.10136	3.0
171.08104	2.6
171.11694	4.1
173.09619	2.5
173.13278	2.5
175.07582	1.4
175.11095	1.5
177.05457	2.1
177.09132	1.6
179.03412	100.0
179.10687	10.6
180.03752	9.3
180.11139	0.9
181.03946	3.3
181.08586	1.0
181.10121	2.0
181.12251	1.5
183.11717	1.5
185.09669	5.3
185.13287	2.1
187.11192	2.9
187.14799	1.7
189.09132	13.2
189.12852	1.5
191.07036	0.9
191.10712	2.3
193.08607	2.3
193.12190	0.9
195.11723	2.1
197.09631	1.2
199.11224	8.9
199.14833	1.5
201.12674	1.2
203.10725	2.2
205.12416	1.1
207.10178	19.9
207.12048	1.3
208.10516	1.4
209.11646	2.3
209.13396	1.5
211.14978	1.2
213.12860	0.9
215.10683	0.8
217.12291	5.6
225.11229	48.8
226.11595	3.3
227.12640	1.0
227.17950	0.8
237.12764	1.1
237.16399	1.3
241.12387	1.0
251.18065	1.4
253.08664	1.4
253.15886	1.0
255.17433	1.4
259.78677	0.8
267.12283	11.2
268.12628	1.1
269.18991	2.4
271.09628	1.2
279.17346	0.9
287.17053	1.0
287.20102	3.4
290.25674	1.0
297.13440	1.2
297.18552	7.8
307.26321	1.2
308.26627	1.6
313.17950	2.0
315.19611	16.8
323.07620	3.4
331.19135	2.6
333.13364	9.8
333.20761	1.5
334.13818	0.9
351.14584	4.4
351.18250	0.8
357.20660	1.8
375.21555	1.6
423.21442	1.5
433.18381	1.2
441.22794	7.0
445.17233	1.3
452.16373	1.1
459.23810	2.1
475.27151	1.1
477.24738	1.1
493.27637	1.0
498.85641	0.8
622.26105	1.0
655.16022	2.5
655.32379	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
53.65945	0.6
55.01868	1.8
55.05504	1.6
57.03423	1.1
59.05009	0.8
63.82893	0.6
67.01884	0.7
67.05499	3.3
69.03421	10.0
69.07065	1.1
70.74014	2.0
71.04977	2.5
73.02912	0.9
77.03894	0.6
79.05474	5.2
81.03410	20.3
81.07042	6.6
83.01311	0.9
83.04974	2.2
83.08595	1.0
85.02895	2.1
85.06517	0.7
89.03908	0.7
91.05476	10.9
93.07034	11.9
95.04971	2.7
95.08620	6.5
97.02887	19.4
97.06528	1.0
97.10175	0.7
99.04438	3.7
103.05489	0.9
105.07025	15.6
107.04942	3.8
107.08587	14.1
109.02875	100.0
109.06500	7.3
109.10153	3.9
110.03149	1.0
111.04440	3.3
111.08070	5.4
113.06001	1.5
115.03909	0.8
117.03384	1.1
117.06995	1.9
119.04928	2.5
119.08575	34.0
120.99430	0.7
121.06481	2.9
121.10135	12.1
123.04426	0.8
123.08063	10.8
123.11749	2.9
124.08878	1.1
125.09624	72.4
126.09975	0.7
127.03912	69.9
128.06241	1.2
129.07021	1.2
130.07799	1.0
131.08577	2.4
133.06490	2.4
133.10126	29.5
134.10449	0.7
135.04431	0.8
135.08040	1.1
135.11653	4.1
137.05995	2.5
137.09644	3.5
143.08554	5.0
145.02902	2.9
145.04938	8.1
145.06070	0.9
145.10129	2.4
146.07188	0.8
147.04404	0.7
147.08046	15.8
149.09583	0.7
151.07590	1.7
151.11153	3.6
157.10133	1.1
159.08112	0.7
159.11703	0.9
161.06029	0.7
161.09610	21.1
162.10179	0.7
163.03900	26.5
163.07532	0.8
163.11186	2.2
165.09103	22.1
167.07053	1.0
171.08011	1.8
175.11145	0.9
177.05478	2.2
179.07115	0.8
179.10649	17.4
181.04916	0.6
187.11316	0.7
187.14725	0.6
189.09103	17.6
191.10571	0.6
193.04987	0.7
201.12856	0.8
207.08202	1.4
207.10152	27.2
213.12819	0.6
221.08119	0.7
225.11203	52.2
229.15866	1.6
233.11902	1.0
249.11371	0.8
253.15924	1.0
267.12256	8.1
269.18893	0.6
271.16925	2.2
285.18619	1.5
289.18002	1.8
297.13461	1.0
303.19629	1.1
313.17969	2.7
315.12268	2.1
331.19064	10.8
333.13327	8.3
349.20068	9.3
351.14413	9.5
391.21100	4.4
421.22147	2.0
439.21262	1.4
441.09344	0.6
445.21988	0.7
457.22217	10.9
475.23135	7.5
655.16541	1.1
655.25800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01869	6.5
55.05502	5.6
55.52037	1.4
57.03437	2.4
59.04987	1.3
62.40531	1.4
65.03938	2.3
67.05507	20.0
68.99785	8.9
69.03067	1.8
69.03422	13.7
69.07070	5.4
70.60036	1.3
71.01360	2.1
71.04991	9.4
71.61691	1.5
73.26860	1.4
74.79305	1.3
79.05494	18.8
81.03426	17.6
81.07063	19.9
82.09004	1.4
83.01324	1.7
83.05009	6.7
83.08635	2.7
85.02885	5.6
91.05481	26.6
93.07049	39.0
95.04971	11.0
95.08039	2.7
95.08607	28.2
97.02891	18.2
97.06522	6.7
99.04459	5.5
103.05473	3.3
105.03394	4.5
105.07033	39.3
107.04949	10.4
107.08597	40.3
109.02882	43.0
109.06529	11.8
109.09453	3.0
109.10157	43.8
111.00810	2.9
111.04454	12.9
111.08079	3.7
113.06049	1.9
115.05450	3.7
117.07034	4.6
119.04929	3.4
119.08585	56.8
120.08785	1.5
121.02908	2.1
121.06521	14.1
121.10140	22.1
123.04437	20.9
123.08047	8.6
123.11671	6.7
125.05978	3.2
127.03922	60.5
128.06219	4.2
129.07010	5.3
129.35297	1.6
131.04933	1.7
131.08575	12.2
133.02843	5.4
133.06517	17.0
133.10132	48.1
135.04422	4.3
135.08051	20.8
135.11707	7.7
137.05975	6.6
137.09612	7.3
139.03914	16.8
139.07532	1.6
141.06970	1.9
142.07751	3.0
143.08577	11.0
145.04971	5.5
145.06459	3.5
145.10138	14.3
147.04465	10.0
147.08060	27.0
147.11671	4.2
147.80038	1.4
149.02365	3.2
149.05998	3.7
149.09634	10.0
151.03883	13.6
151.07506	2.0
151.11203	6.3
153.01831	3.2
155.08583	3.0
156.09352	2.6
157.06525	3.4
157.10112	7.3
159.08044	2.4
159.11703	9.8
161.05997	10.1
161.09608	33.5
161.13284	2.0
163.03914	7.8
163.07623	2.7
163.11191	9.9
165.05501	11.8
165.06822	2.3
165.09096	32.1
166.07826	2.4
167.03334	1.3
167.08586	2.1
169.10114	3.6
171.04353	2.5
171.08038	4.5
171.11714	7.0
173.05984	2.1
173.08067	3.8
173.09538	3.1
173.13264	4.0
175.03925	5.0
175.07614	3.8
175.11150	2.5
177.05464	7.4
179.03400	100.0
179.07007	5.0
179.10664	23.7
181.08655	2.3
181.10110	5.2
182.10976	1.7
183.11668	2.0
185.05978	1.7
185.09586	7.8
185.13243	2.7
187.11192	4.4
187.14784	3.0
189.05479	31.7
189.09106	22.0
189.12700	1.9
191.03427	3.4
191.07104	3.8
191.10686	3.1
193.04956	39.0
195.11732	3.1
197.08122	4.3
197.13387	1.8
199.07542	2.5
199.11197	21.0
199.14903	2.4
201.05455	1.8
201.12776	1.9
203.03362	1.5
203.07085	2.7
203.10686	3.3
207.10173	29.7
209.08031	3.3
209.11670	5.2
209.13428	1.6
213.09155	2.2
215.06999	2.0
217.04965	98.7
217.08548	5.4
217.12160	9.0
219.06514	5.9
219.13841	3.4
221.08095	17.0
221.11430	1.7
225.11218	70.0
231.06631	1.5
231.10089	2.6
233.08148	2.8
235.06020	52.9
235.09717	3.1
241.08644	5.9
241.12206	2.5
245.04507	3.7
245.08147	2.4
249.11298	6.0
251.18204	2.1
255.17487	1.9
259.09698	4.6
259.13464	2.0
261.07617	1.6
263.09149	47.4
267.12256	31.1
269.08017	7.3
269.19016	3.9
273.18549	2.8
279.17426	3.8
287.09152	33.8
287.20142	4.0
297.13257	2.6
297.18536	15.8
305.10199	25.6
315.19540	39.6
319.79175	1.4
323.07666	6.6
323.10703	6.8
333.13394	9.4
333.20667	4.9
351.14502	6.4
357.20624	4.3
358.88626	1.5
372.94730	1.5
375.21698	7.1
423.21597	5.1
435.52005	1.6
441.16266	2.6
441.22696	13.7
459.23697	3.9
475.26813	2.2
549.25049	7.9
567.25775	1.8
619.28845	2.2
655.31256	8.9
664.64923	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1658
Annotation	isorhamnetin 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
53.03945	0.5
55.01875	0.2
55.05511	0.2
60.17106	0.1
63.02377	0.3
67.05502	0.5
69.03428	2.1
69.07054	0.2
69.53408	1.0
69.53816	0.2
71.04990	0.5
78.04703	0.3
79.05489	0.6
81.03417	4.5
81.07058	0.6
85.02914	1.1
89.03915	5.4
89.91434	0.1
91.05486	0.9
93.03406	0.2
93.07047	0.8
95.04987	0.4
95.08620	0.4
97.02904	1.4
98.21589	0.2
99.04460	0.6
103.05467	0.4
105.03387	0.3
105.07027	1.2
106.04179	0.4
107.04964	0.5
107.08614	1.1
109.02878	6.5
109.06522	0.3
109.10152	0.4
111.04442	0.2
111.08066	0.3
117.03378	16.0
119.04982	0.3
119.08587	2.0
121.06457	0.3
121.10152	0.5
123.04373	0.3
123.08060	0.5
123.11658	0.2
123.35375	0.2
124.05167	0.3
125.09628	3.7
127.03916	4.1
131.04967	0.3
131.08585	0.2
133.06479	0.4
133.10115	1.4
134.03622	1.2
135.04408	2.4
137.06000	0.3
137.09636	0.3
139.03925	0.2
143.08510	0.2
145.02844	43.8
146.03206	0.5
147.04407	0.4
147.08025	0.8
147.11621	0.2
149.05980	6.2
151.03877	0.4
151.11154	0.3
153.01839	1.4
158.06010	0.4
159.11722	0.2
161.05960	0.4
161.09634	1.0
163.03905	4.1
163.11171	0.1
163.37248	0.2
165.09152	1.1
167.07086	0.4
176.71703	0.1
177.05466	100.0
178.05794	0.9
179.10669	0.6
186.05490	2.0
189.09062	0.9
191.03322	0.2
191.07144	0.3
193.08586	0.3
195.06503	1.1
207.10207	1.0
225.11212	2.4
228.04219	0.3
229.04945	0.6
241.08421	0.2
245.04356	0.4
246.05338	0.3
257.04367	0.4
259.10709	0.3
267.12299	0.2
271.05951	0.2
273.03918	1.4
274.04623	0.9
285.03870	0.7
286.08337	0.3
301.03339	0.6
301.11511	0.3
302.04178	2.5
313.17880	0.2
317.06552	18.7
318.06924	0.4
321.09683	5.8
329.10129	1.0
331.19016	0.7
339.10718	3.5
349.19931	0.4
351.14307	0.3
367.11594	0.3
391.20755	0.3
399.14301	0.5
457.22137	0.3
655.30389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.1
53.60802	0.1
55.01882	0.1
55.05512	0.1
63.02374	0.2
63.29555	0.1
67.05504	0.2
68.99806	0.3
69.03432	0.1
70.08521	0.2
70.08923	0.4
79.05509	0.6
81.03414	0.2
81.07053	0.3
83.04974	0.4
85.02911	0.1
89.03917	4.0
90.55337	0.1
91.05495	0.1
95.04966	0.4
95.08628	0.1
97.02937	0.1
105.07048	0.2
107.04960	1.3
107.08612	0.1
109.02887	0.6
109.10125	0.2
111.04424	0.3
115.05479	0.1
117.03382	4.8
119.04972	0.2
119.08620	0.2
121.10117	0.2
125.09650	0.3
127.03903	0.5
133.10155	0.2
134.03609	0.3
135.04419	11.7
137.02351	0.9
145.02850	8.1
147.04419	0.2
153.01849	0.7
158.06139	0.1
161.05956	0.1
161.09579	0.1
163.03909	100.0
164.04277	0.9
165.08997	0.1
166.32744	0.1
167.07047	0.3
171.04437	0.1
177.05505	0.5
179.03503	0.1
186.05493	0.3
189.05447	0.3
191.03401	2.5
199.03944	0.1
200.64240	0.1
203.03392	0.2
217.04979	0.5
225.11255	0.3
227.03401	1.1
228.04185	0.4
229.04932	0.2
245.04433	1.3
255.02902	0.9
256.03714	0.2
257.04535	0.2
273.03937	25.7
274.04623	0.9
285.04019	0.2
301.03445	8.1
302.04205	7.3
303.05011	1.0
337.09271	0.1
344.75827	0.1
349.20242	0.1
435.06720	0.2
463.06628	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	655.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.1
53.03951	0.1
53.15765	0.1
55.05476	0.1
63.02384	0.3
65.03931	0.2
67.05495	0.2
68.99773	0.6
70.50228	0.6
73.35083	0.1
73.61896	0.1
77.03929	0.6
79.05480	0.6
80.95770	0.1
83.04978	0.3
89.03912	4.0
91.05449	0.2
95.04987	0.7
95.08615	0.2
98.21510	0.1
105.03374	0.8
107.04957	1.6
111.04436	0.3
117.03374	4.7
123.04410	0.2
133.02835	2.1
134.03600	0.2
135.04407	11.9
137.02298	1.5
145.02840	9.5
145.03847	0.2
147.04399	0.2
153.01834	0.8
161.05989	0.3
163.03893	100.0
164.04222	0.9
165.01912	0.2
171.04436	0.3
177.05481	0.5
186.05499	0.3
189.05499	0.2
191.03384	3.7
199.03944	0.3
203.03482	0.6
217.04958	0.9
227.03374	1.6
228.04059	0.2
245.04486	1.8
255.02907	1.5
256.03531	0.2
257.04526	0.2
273.03915	49.7
274.04398	1.0
301.03421	17.7
302.04184	4.2
303.04968	3.3
307.08115	0.1
377.32941	0.2
417.32516	0.1
447.66629	0.1
463.06583	5.6
637.12207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36330	2.0
53.03954	4.1
53.40251	1.9
55.05520	17.8
57.03435	2.7
57.07068	3.4
67.05508	43.5
69.03431	16.7
69.07069	18.1
69.43121	11.0
69.43549	9.1
71.04986	3.3
79.05057	2.8
79.05496	33.4
81.03418	25.2
81.07064	49.6
83.04967	8.0
83.08614	9.2
85.02908	11.0
91.05485	25.7
93.07047	39.2
95.04955	9.3
95.08609	45.5
97.02895	12.0
97.06533	4.4
97.10173	6.5
98.21511	4.0
99.04443	3.3
105.07037	30.7
107.08587	25.2
109.02871	5.2
109.06488	6.1
109.10168	15.8
111.04436	8.2
111.08085	3.0
115.03905	3.0
117.07009	16.5
119.08587	25.6
121.06500	3.0
121.10159	19.3
123.08085	6.1
123.11710	4.5
125.09624	3.0
126.91248	2.1
127.03925	7.7
128.06216	3.7
129.05516	3.4
129.06985	7.5
131.08586	17.2
133.10143	22.3
135.08076	5.3
135.11717	12.2
137.09630	4.2
143.08563	8.7
145.10098	16.2
147.08041	3.1
147.11714	11.9
149.05975	2.4
149.13274	7.1
151.07552	3.5
155.08574	5.3
157.06552	3.0
157.10144	7.5
159.11681	11.6
161.13268	21.9
163.11098	3.8
165.09068	2.4
167.08556	3.2
169.10091	4.6
171.11708	5.9
173.13261	11.9
177.12837	3.1
179.14322	22.5
181.10072	2.2
183.11708	4.0
185.13251	7.4
187.11162	2.9
187.14859	5.5
197.13368	3.3
197.15341	11.5
209.15372	2.4
226.14053	2.2
243.21010	2.6
259.20566	5.3
261.22226	5.2
271.20474	3.5
273.21960	3.9
277.21625	5.5
285.22125	5.4
289.21683	6.9
290.86798	2.5
291.23172	5.1
301.21503	6.2
303.23175	12.8
305.17633	5.3
315.23303	5.8
317.21121	2.8
319.22897	2.7
323.18417	2.4
323.23737	3.1
327.23196	3.7
331.22723	2.6
341.24698	7.6
345.24265	5.0
351.23105	10.8
369.24335	26.6
387.25351	24.0
405.26352	22.4
423.27399	4.4
430.17178	4.7
431.18185	3.4
432.18796	3.1
447.21185	3.9
457.15585	2.4
460.22119	4.8
461.62836	2.7
465.35715	7.2
488.21671	6.8
502.22812	3.0
520.24213	4.1
530.22876	3.6
534.25806	3.5
561.25092	5.9
562.25287	70.6
563.25610	7.8
590.24573	6.8
621.26636	3.2
622.27417	100.0
623.27777	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	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75912	0.9
53.52519	1.0
59.86228	1.0
71.61162	1.4
74.79510	1.0
94.06586	1.2
97.58803	1.0
102.94348	1.0
115.69733	1.1
118.06516	1.1
125.58769	0.9
195.09114	1.4
209.10690	2.0
210.11526	1.5
211.12245	1.9
221.10764	1.4
223.12279	2.4
225.13867	4.5
234.11438	1.1
235.08820	1.1
235.12372	1.4
237.13870	3.1
249.10243	2.0
249.13930	1.1
262.41873	1.0
263.08145	1.2
277.09821	1.6
296.11746	1.1
324.14697	1.3
326.13120	1.0
329.43573	1.2
337.12018	2.0
338.16586	1.4
340.14407	1.1
350.12836	1.2
366.15973	2.1
396.13251	1.5
400.17398	1.2
401.17731	1.3
402.18726	2.4
415.15295	1.6
416.15833	1.3
417.21118	1.5
429.17203	2.3
430.17850	1.2
431.18039	2.0
431.22958	2.2
443.18777	1.7
444.19229	2.4
445.20258	2.0
446.20850	2.8
447.22070	5.2
454.17624	2.4
459.22256	6.5
460.22397	1.5
471.17691	1.5
472.19220	1.5
473.19336	1.3
473.23315	1.0
474.20682	1.2
475.20883	2.4
487.21255	11.2
488.21829	2.2
489.22360	1.2
501.22635	4.1
514.06891	1.2
515.20514	3.0
518.22870	1.6
519.23724	4.3
521.25403	1.3
529.21973	3.4
533.25330	4.5
534.22693	1.3
543.23932	1.6
544.22058	1.2
546.21899	1.6
547.23193	2.0
561.24982	88.8
562.25244	4.9
589.24713	7.8
621.27051	100.0
622.27069	5.3
635.28735	1.5
653.33093	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	653.2968
Annotation	Haplophytine
Peak:m/z	Relative Intensity
51.06781	2.0
69.82267	3.1
69.82673	10.7
71.05048	2.1
71.05447	2.1
98.21456	2.4
117.91232	2.1
197.56653	2.4
251.52763	2.3
259.05951	2.3
266.41916	3.1
361.36151	2.1
388.17810	2.4
403.19501	2.9
404.19846	3.2
405.20877	9.3
417.20560	3.0
418.21558	2.8
419.22458	8.8
420.23291	2.6
433.24097	5.7
434.24893	4.9
447.21320	4.9
449.19846	6.2
462.20407	3.1
463.21649	6.0
464.22064	4.0
465.23163	2.8
477.23340	4.4
478.23291	2.6
479.24390	31.9
480.25327	2.7
487.21320	5.1
493.25894	2.8
501.23083	2.6
507.27628	18.8
533.25934	2.5
537.24695	10.1
538.25775	2.5
551.26532	29.4
561.25549	6.1
565.28290	16.6
565.35852	2.9
566.28876	58.0
567.29303	5.0
575.26593	9.4
588.23755	2.8
593.28058	10.2
621.26874	14.2
635.28485	12.4
653.29718	100.0
654.29889	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	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07564	1.4
53.73495	1.4
71.59491	1.6
85.80868	1.4
155.06844	1.8
226.89912	1.5
353.76361	1.4
377.17456	1.6
389.17499	1.6
391.19150	7.6
392.19714	2.4
405.20694	13.9
406.21420	12.3
407.22598	2.9
419.22495	3.9
420.22882	9.2
421.23865	17.2
433.19843	3.5
434.24893	1.9
435.18085	2.2
445.20142	4.2
447.21521	2.2
450.20697	5.1
451.20599	1.6
452.22589	3.1
460.22980	2.8
461.23312	1.7
465.22913	44.2
466.23203	2.0
473.19742	3.0
479.24396	9.1
480.25305	3.4
488.21939	8.6
492.21347	2.1
501.23431	2.2
503.24432	53.4
504.24683	2.4
507.27939	3.4
535.26990	38.2
536.27509	3.6
551.26843	5.9
579.26001	34.8
593.27448	2.5
594.28107	15.6
621.27216	20.6
653.29700	100.0
654.30243	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	653.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01876	0.5
55.05507	2.2
57.07079	4.3
59.05007	0.6
59.78377	0.4
61.02932	0.5
61.19577	0.5
62.88976	0.5
67.05506	8.0
69.03445	2.8
69.07067	10.9
69.44611	1.2
69.45034	2.7
70.06585	0.9
71.04996	5.0
71.08629	0.7
71.85912	0.5
73.06562	0.9
79.05492	7.0
81.03424	3.0
81.07056	100.0
82.07404	0.8
83.04959	0.6
85.02903	6.6
87.00816	4.0
91.05460	2.3
92.36102	0.5
93.07040	7.1
95.08607	45.5
96.08946	0.4
97.02892	5.9
97.06557	0.8
98.97601	0.4
98.97813	0.5
98.98471	4.9
99.04465	1.1
103.03949	0.9
103.08677	0.6
105.01869	4.9
105.07027	1.1
107.08598	5.2
109.02875	3.0
109.06499	2.4
109.10159	3.9
117.07040	0.5
119.08571	2.6
120.67068	0.4
121.06507	1.7
121.10162	1.0
123.04499	0.6
127.03920	5.4
127.11166	0.5
128.38969	0.4
131.08531	0.8
133.06514	0.5
133.10187	0.7
135.04500	0.5
135.11687	10.5
137.13254	65.2
138.13530	0.6
139.03868	0.4
143.08510	0.5
145.02832	0.6
145.04958	1.8
145.10075	0.5
147.02847	0.6
147.08078	0.9
147.11687	0.6
149.09608	0.6
151.07506	0.6
151.11122	0.6
153.12741	35.6
157.10022	0.4
159.02905	0.6
159.11662	0.9
161.13341	0.5
163.03902	0.9
165.12726	1.2
167.07036	1.1
173.09637	1.1
177.12781	1.5
188.15881	0.5
189.03851	0.6
189.12796	0.6
191.10585	0.5
191.14403	0.4
195.13788	2.4
203.10670	0.5
207.13701	0.7
211.09692	0.5
213.03934	0.6
215.14352	0.6
217.03438	0.4
225.05368	0.4
231.04939	1.6
235.10950	10.5
237.14809	1.1
243.13803	0.9
249.06137	0.6
261.14850	1.8
285.84906	0.4
297.17337	0.4
311.01614	0.8
347.15024	1.0
355.11725	0.5
365.15781	1.5
383.17007	1.9
388.59906	0.5
583.21967	0.4
653.20715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01892	0.8
55.05484	1.9
57.07078	4.1
61.02909	1.1
62.45889	0.8
67.05179	0.8
67.05513	10.8
67.87711	0.7
69.03420	3.3
69.07065	7.8
69.32658	7.6
70.06590	6.0
71.04999	1.7
71.08619	1.2
73.02910	1.5
79.05485	5.4
81.03423	4.1
81.07058	86.2
82.07392	1.2
83.05022	0.8
85.02904	7.6
85.06533	2.3
87.00843	3.8
87.01291	0.7
89.03892	0.9
91.05486	2.2
93.07014	3.6
95.04967	1.0
95.08607	43.6
97.02894	5.6
97.06528	1.6
98.20692	1.4
98.98471	3.0
99.04459	1.4
105.01884	2.3
105.07049	1.5
107.08604	8.6
109.02880	3.0
109.10157	100.0
110.10541	1.1
115.03929	2.1
117.03363	1.0
118.13815	0.7
119.04983	1.0
119.08595	2.8
119.09389	0.7
121.10140	4.0
123.04449	0.8
123.08018	0.8
123.11714	1.6
124.18734	0.7
127.03915	6.3
127.11185	2.3
133.10199	1.6
135.11697	19.5
137.13254	58.9
138.13562	0.9
139.11275	0.8
145.02873	2.7
145.04959	2.3
147.04422	2.9
147.11734	1.5
151.11221	2.0
153.12769	2.4
159.02908	1.1
161.02266	0.7
163.03973	1.5
163.11203	2.9
165.12701	1.4
167.07062	5.9
175.11169	1.3
177.05501	3.4
179.90662	0.7
207.13942	1.1
213.04054	1.0
219.04993	1.1
219.13620	1.6
221.18976	1.1
231.05051	1.7
235.10983	11.4
239.20090	1.7
243.13931	1.5
261.14868	2.1
269.24411	0.7
284.88910	0.8
347.15088	1.4
365.16074	3.2
383.16971	1.9
654.21997	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.5
53.03958	0.7
55.05513	1.5
57.07078	4.4
67.05164	0.9
67.05503	11.2
68.14690	0.5
69.03429	1.7
69.07066	9.9
70.06600	1.1
71.08622	1.1
71.59109	0.6
77.03873	0.5
79.05489	5.4
81.03423	1.1
81.07057	100.0
82.07384	0.9
83.05029	0.5
84.04445	0.6
85.02900	3.1
87.00840	0.6
91.05476	2.3
93.07050	3.5
95.08610	44.7
96.08920	0.7
97.02874	2.3
97.06535	1.4
98.98467	5.2
99.04480	0.7
105.01899	1.1
105.07040	1.3
107.08592	6.5
109.02901	1.1
109.10159	94.4
110.10500	0.9
114.45515	0.5
115.03928	1.0
117.06962	0.6
119.08560	1.2
121.10139	1.2
127.03916	3.6
131.05000	0.5
131.95947	0.5
135.11693	22.6
137.05969	0.9
137.13258	70.6
138.13585	0.8
145.02805	0.7
145.04918	0.7
147.04414	0.7
147.11734	0.6
153.12740	6.3
163.03885	2.4
163.11249	0.8
165.12711	0.7
167.06960	0.6
171.13797	0.7
194.87135	0.5
221.19060	0.5
225.70959	0.5
231.05006	0.7
235.10944	16.8
237.00592	0.6
249.06029	0.5
260.75662	0.5
261.14853	1.1
271.09778	0.5
328.16791	0.5
365.16187	0.5
427.86652	0.5
653.21075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16366	0.2
53.03954	0.7
55.05511	1.5
55.36913	0.3
57.07081	3.8
57.39278	0.3
58.62017	0.3
60.02679	0.3
65.03931	0.4
67.05505	8.1
69.03448	0.4
69.07072	9.4
71.08636	1.5
71.60638	0.6
79.05491	5.7
81.03431	1.1
81.07059	100.0
82.07381	1.2
85.02908	0.8
85.06532	0.6
86.09725	0.4
91.05479	0.6
92.79093	0.3
93.07035	1.4
95.04989	0.4
95.08609	45.3
96.08921	0.5
97.02891	0.7
97.06541	0.5
98.09396	0.4
98.98463	4.3
105.07063	1.0
107.04972	1.1
107.08573	0.7
109.10150	2.8
115.05470	0.7
117.07008	1.3
119.08583	0.7
121.10188	0.4
123.04420	0.4
123.11679	0.4
127.03902	0.9
127.11189	0.6
129.07021	0.4
131.08574	0.5
135.11710	0.5
137.05972	0.6
137.13257	70.9
138.13585	1.2
145.02847	0.6
145.06499	3.1
145.10052	0.3
147.04428	0.8
147.11659	0.4
149.06050	0.3
153.12799	0.5
155.06046	0.3
156.05675	0.7
159.08052	0.5
161.06036	0.6
163.03925	0.6
166.86830	0.3
167.07050	4.2
173.06003	4.2
177.05473	1.3
181.04933	0.4
184.05415	0.3
187.07565	0.7
190.06287	2.4
203.17995	0.7
205.08580	7.5
205.93909	0.3
214.83501	0.3
216.44455	0.3
217.08626	2.8
219.08089	0.4
219.10118	0.4
221.18968	0.7
225.08354	0.3
235.11180	5.9
239.20293	0.4
247.09720	0.8
248.83553	0.3
263.10663	0.3
265.10666	2.7
268.69980	0.3
274.37369	0.4
281.70395	0.4
299.09003	0.4
315.08624	1.0
315.13077	0.4
330.10947	0.9
351.12415	0.4
383.14706	1.2
401.15958	1.2
419.18430	0.7
660.72998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2609
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
51.80893	2.1
53.34887	2.0
70.83724	2.0
71.60519	3.3
71.60936	3.5
81.07082	3.1
100.83839	2.4
105.07066	2.5
119.08503	2.9
148.01358	2.5
148.77348	2.6
153.93756	2.3
221.31125	2.3
227.19592	2.4
362.16422	2.6
377.17554	3.3
378.18478	2.7
390.18610	2.8
391.19327	11.3
392.19858	4.6
393.20862	3.4
405.21072	5.5
407.22330	9.8
421.20175	6.9
431.18713	3.2
433.20120	5.3
435.21671	15.0
436.23138	3.8
437.19742	2.7
451.21249	5.1
461.23917	2.6
465.18951	10.7
466.19891	3.4
472.17761	2.5
479.20776	17.1
489.23651	2.4
493.25977	2.6
497.18939	2.5
501.19507	5.7
505.18695	6.9
515.20807	6.7
516.21875	2.9
517.22400	29.1
519.24854	2.7
521.25574	6.7
522.26392	3.9
537.25055	4.1
547.23444	4.8
549.25043	32.8
551.22565	12.4
565.24561	7.5
566.25287	25.1
575.22620	11.8
576.24347	3.1
593.23828	18.6
607.25555	6.3
609.27045	10.2
625.26215	3.8
635.25024	88.9
636.26141	3.6
653.26007	100.0
654.26300	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	653.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03943	1.9
55.01860	1.1
55.05513	2.1
57.03432	0.7
59.04984	0.5
63.02414	0.3
64.73965	0.2
67.05505	2.2
69.03078	0.4
69.03432	5.2
69.07081	2.7
69.86655	0.7
69.87083	1.0
71.01334	0.4
71.04995	1.8
73.02922	0.7
79.05501	2.7
81.03423	8.0
81.07060	4.0
83.01334	0.4
83.04951	0.9
83.08617	6.4
85.02907	3.4
87.04475	0.4
87.08094	0.4
89.03922	0.6
91.05482	4.4
93.07051	5.1
95.04974	1.7
95.08618	2.4
97.02275	0.6
97.02895	8.9
97.06519	0.7
98.03670	0.8
98.21514	0.3
99.04445	2.1
102.62244	0.3
103.05435	0.8
105.03394	0.3
105.07035	22.6
105.15291	0.3
107.04947	0.8
107.08598	6.1
109.02887	17.6
109.06518	2.2
109.10159	2.1
110.03648	0.7
111.04449	2.1
111.08081	5.6
113.05997	0.5
114.38037	0.3
115.03936	0.9
115.05433	0.7
117.03370	0.7
117.07009	1.3
119.04955	0.6
119.08585	14.7
121.06496	1.4
121.10168	2.1
123.04424	5.1
123.08064	2.9
123.11699	1.6
125.09655	0.5
127.03922	23.3
128.06212	1.2
129.07068	1.7
129.09126	7.6
129.10115	0.4
130.07748	0.3
131.08582	1.5
133.02864	4.5
133.06476	3.2
133.10138	11.1
135.04427	1.1
135.08026	0.6
135.11729	1.6
137.05983	1.0
137.09619	1.3
141.06985	0.4
143.08568	3.4
145.02846	1.2
145.04971	1.9
145.06471	0.9
145.10095	1.8
147.04422	0.3
147.08052	6.7
147.11748	0.4
149.05983	0.4
149.09592	0.6
149.13240	0.3
151.03912	2.2
151.07581	0.6
151.11217	1.5
154.07753	1.2
155.08569	1.1
157.10146	0.7
159.08051	1.2
159.11655	0.4
161.06013	0.5
161.09618	8.0
163.03914	1.6
163.07487	0.5
163.11179	1.4
165.05484	0.3
165.09119	8.2
167.07120	0.4
167.08510	0.5
167.10619	0.3
169.10149	2.2
171.08064	0.9
171.11769	0.4
173.09648	0.8
173.13281	0.3
177.05496	1.4
179.03400	100.0
179.10657	6.4
180.03749	0.9
181.12262	0.5
182.07257	0.5
183.11786	0.3
185.09628	0.4
185.13348	0.4
187.11188	0.5
189.09116	6.5
195.11696	0.3
197.09644	4.2
197.13177	0.3
203.03288	0.3
207.10164	12.6
209.11713	0.4
213.07483	0.3
215.10701	2.3
217.12297	0.3
221.13300	0.3
225.11214	19.2
226.11534	0.3
227.12761	0.6
249.11232	0.9
255.12312	1.2
259.09494	0.3
263.18121	0.3
266.13879	0.3
267.12247	5.0
273.13376	1.7
279.12314	0.3
287.09027	0.3
295.08163	0.5
295.16949	0.7
313.18048	1.9
316.54132	0.3
323.07635	2.6
333.13370	4.5
334.13995	0.5
351.14273	1.4
352.15231	0.7
397.60010	0.3
421.19742	0.4
439.21014	0.4
451.15955	5.5
460.34674	0.3
460.41501	0.3
653.30310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
55.01870	4.3
55.05523	28.7
57.03427	8.4
57.07085	7.0
59.75760	3.2
65.03944	3.8
67.05511	100.0
69.03428	24.9
69.07082	18.5
71.04993	9.7
71.08652	3.4
71.48964	3.4
79.05495	29.7
81.03432	45.9
81.07067	58.0
83.04985	23.7
83.08611	13.4
85.02919	7.4
85.06536	4.0
88.55041	3.4
91.05480	32.3
93.07048	40.1
95.04967	10.4
95.08605	45.7
97.02895	18.3
97.06518	3.8
97.10175	16.0
99.04455	5.1
105.07026	23.6
106.95656	3.4
107.04946	5.6
107.08602	26.0
109.02927	6.2
109.06574	4.3
109.10166	66.2
111.04436	6.5
111.08045	4.4
117.07026	12.4
119.08603	21.0
121.10129	20.6
123.08151	3.8
123.11730	9.2
125.09656	12.3
127.03930	9.3
129.05496	12.7
129.06996	6.7
131.08569	18.6
133.10136	14.0
135.08102	6.8
135.11682	14.2
137.47681	3.3
143.08559	11.7
145.06488	5.1
145.10147	15.1
147.11700	6.5
149.13274	5.8
157.10158	9.2
159.11714	13.8
161.13254	6.6
169.10168	6.4
171.11693	8.6
173.11745	18.2
173.13342	11.7
175.14859	5.2
183.11708	3.7
185.13203	5.6
189.11339	8.7
209.13339	4.0
227.12790	10.1
229.12294	5.9
229.14308	34.2
245.13773	5.6
261.22226	7.0
263.23572	4.0
283.15332	3.4
284.96240	3.3
289.17621	3.2
299.14774	5.0
301.21420	8.2
319.22662	4.1
335.25833	11.6
337.27274	8.2
349.40768	3.5
351.23248	6.1
369.24313	13.9
371.17068	3.3
373.18491	6.2
387.25513	6.1
405.26385	4.2
425.69452	3.4
479.29865	5.0
489.35577	8.1
547.36285	4.2
597.37878	9.5
615.38806	7.3
633.40045	36.5
651.27283	4.1
651.40930	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	651.2814
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
67.05495	1.5
68.46609	0.9
70.94561	1.2
70.94897	1.7
77.84169	0.9
79.05499	1.0
88.44564	0.8
95.08620	1.3
131.88898	0.8
140.00554	0.8
237.77780	0.9
330.09912	0.8
392.19949	1.0
399.16245	1.0
400.16867	2.0
401.17670	2.3
402.18933	0.9
405.20969	2.0
407.22699	2.3
413.17850	1.9
414.18445	2.2
415.19516	5.6
425.17499	1.0
428.20032	2.7
429.21503	4.7
430.21613	1.3
442.17477	1.1
443.18011	1.8
443.23300	1.8
444.19113	2.5
445.20453	2.8
446.21146	1.2
456.20004	1.4
457.20282	2.8
458.21078	2.9
459.18204	2.0
469.16824	1.0
471.21973	6.5
472.22598	3.6
473.19235	3.9
474.20670	1.5
484.19427	1.2
485.19827	1.5
486.20764	5.1
487.21347	2.1
490.20367	2.9
499.21527	9.5
500.22244	2.5
503.24576	3.0
516.21857	1.5
517.22589	6.6
518.19720	0.9
527.20935	2.3
531.23889	12.3
539.39337	1.1
541.81451	1.0
543.24066	1.4
549.24890	6.2
559.23438	80.6
560.23822	1.2
577.22394	0.9
587.22888	13.8
588.22662	1.1
591.26453	1.8
619.25543	100.0
620.25751	3.1
651.28162	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	651.2809
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
61.14359	0.5
63.98486	0.6
67.05473	1.1
69.07053	0.7
79.05431	0.8
81.07030	1.1
87.13311	0.5
93.06983	0.7
95.08577	0.9
105.06989	0.6
107.08529	1.0
119.08576	1.3
123.11773	0.7
135.11716	0.7
145.10120	0.9
159.11629	0.8
207.58304	0.5
283.13629	0.5
372.29977	0.6
386.15482	1.1
389.17996	0.6
391.19180	1.4
392.19684	0.7
398.16208	0.8
399.16135	2.1
400.16846	2.4
401.17706	2.3
407.22327	2.4
413.17825	2.8
414.18750	3.2
415.14569	0.6
415.19312	8.7
416.20309	1.0
417.20700	1.6
418.19550	0.7
419.18387	0.8
420.18774	0.7
425.17734	1.0
427.19193	1.8
428.20078	2.1
429.15686	0.9
429.21271	6.7
430.21637	2.7
431.18793	0.7
433.19724	0.8
435.21454	0.7
441.16986	1.3
442.17545	0.8
443.17917	2.6
443.22400	4.7
444.19376	3.0
444.24176	1.1
445.20190	2.3
446.20984	1.2
447.18091	2.0
455.18698	0.9
456.19482	1.6
457.20490	5.0
458.21237	2.8
459.18204	1.8
460.18610	0.7
461.19397	0.7
462.20474	1.2
470.16794	0.7
471.22296	6.8
472.23364	3.4
473.19724	4.6
474.20752	2.8
484.18707	1.2
485.19855	2.0
486.20490	5.2
487.21164	2.3
488.22528	0.9
489.23114	1.2
490.20062	2.2
499.21381	10.5
500.22476	3.0
501.18906	0.9
502.19775	1.1
503.24420	3.1
507.19891	0.7
514.19513	0.8
516.21472	1.0
517.22290	6.1
521.25372	0.8
527.20886	3.4
528.21887	1.1
531.23816	11.6
543.24469	1.0
549.25037	3.9
559.23413	77.4
560.23590	2.5
587.23010	11.4
619.25500	100.0
620.25958	3.8
651.28149	20.6
651.38873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.6
57.07072	0.2
58.06608	0.5
60.07875	0.4
60.08163	6.0
62.50097	0.2
67.05491	0.6
69.07047	0.2
71.07380	2.8
71.58908	0.3
81.07030	0.3
86.09706	29.3
95.97296	0.2
96.70364	0.2
98.98464	2.6
104.10749	2.0
109.10169	0.4
109.24460	0.2
112.17824	0.2
125.00003	19.0
143.01018	0.4
147.11681	0.2
148.20857	0.2
158.10385	0.2
166.02780	0.2
184.07339	100.0
185.07753	0.3
496.34018	0.3
650.43951	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	650.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03632	1.9
51.80991	2.2
53.03939	6.5
55.01867	3.2
55.05504	5.9
56.96582	2.7
57.03430	2.1
65.13892	1.7
65.34518	2.0
67.05502	4.7
67.50578	1.7
69.03439	12.5
69.07065	4.6
69.80906	13.4
70.06586	8.6
70.10023	1.8
71.04983	6.2
79.05504	11.0
81.03422	29.3
81.07063	17.0
83.04984	2.8
83.08632	3.4
84.04518	3.3
84.07739	2.1
84.08150	19.2
85.02905	6.6
91.05466	11.9
93.07052	20.3
95.04958	7.6
95.08602	20.6
97.02905	30.4
97.06528	8.2
98.09700	2.3
99.04443	5.7
105.07033	24.6
107.04931	5.6
107.08600	23.9
107.82803	2.2
109.02132	4.8
109.02886	100.0
109.06516	9.5
109.10157	10.2
111.08090	6.9
112.07594	9.3
115.03937	2.5
119.04964	2.1
119.07804	3.3
119.08594	46.0
119.63040	2.1
120.08866	2.2
121.06527	4.2
121.10117	15.6
123.04423	5.8
123.08051	14.3
123.11717	7.4
124.08890	2.3
125.09641	71.4
127.03922	85.8
131.08577	7.8
133.06494	5.0
133.10149	37.0
135.07973	2.6
135.11699	6.2
135.64568	2.0
137.02327	3.1
137.05986	2.7
137.09599	6.5
140.07095	3.5
143.08598	5.0
143.10661	2.7
145.02849	8.8
145.04965	8.7
145.06415	2.1
145.10110	7.9
147.04382	7.0
147.08058	17.3
147.11684	8.8
149.05977	3.4
151.07558	2.8
151.11197	2.6
152.48042	2.0
157.10101	4.4
158.08086	3.5
159.11647	3.4
161.06029	3.3
161.09639	21.7
163.03925	4.4
163.11177	5.1
165.09122	24.7
173.02348	3.8
173.05963	2.9
174.07646	2.9
177.05476	11.0
177.08920	2.1
178.05809	2.8
179.10678	18.0
185.09406	2.0
185.13155	2.6
187.14906	2.9
189.09148	20.3
191.07063	3.1
207.10149	27.8
215.07072	5.0
225.11234	37.9
229.08517	2.9
237.02975	2.7
248.66478	2.1
259.09592	7.7
263.49191	2.7
267.12198	2.9
271.17081	2.9
277.10681	3.4
281.10168	3.1
285.18497	3.6
287.10306	2.9
301.10696	2.5
302.12347	3.9
303.23306	2.5
313.17969	3.4
316.19879	2.2
331.18994	15.1
332.13354	2.9
333.13300	7.9
349.20099	20.1
351.14282	9.7
356.44632	2.4
391.21121	14.2
421.21997	3.5
457.22232	51.0
458.22565	3.9
475.23352	50.7
476.23547	5.1
493.24088	9.9
525.15680	4.3
602.20856	8.1
606.36212	3.8
650.35223	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	650.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01870	1.7
55.05523	3.1
57.03439	1.5
57.66431	0.9
67.05527	3.5
69.03430	11.4
69.07063	1.8
70.06622	1.6
71.04995	2.9
71.58167	1.2
79.05493	5.3
81.03418	21.0
81.07067	7.8
83.05005	1.7
83.08626	1.3
84.08147	12.0
85.02905	4.1
91.05480	7.8
93.07047	12.5
95.04976	3.6
95.08611	9.5
97.02907	19.9
97.06538	2.7
99.04456	4.0
103.05495	1.7
105.07027	13.9
107.04934	1.6
107.08603	14.4
107.37794	1.4
109.02884	100.0
109.06540	6.3
109.10163	3.7
110.03174	1.7
111.04443	3.2
111.08091	3.5
113.05978	1.5
115.03982	1.3
117.07061	2.5
119.08586	28.7
121.06522	3.6
121.10149	15.8
123.04454	2.9
123.08073	12.2
123.11724	2.9
125.09634	73.3
126.09961	1.5
126.15028	1.1
127.03920	68.6
128.04317	1.2
131.08530	2.8
133.06494	2.3
133.10132	28.9
135.04355	1.4
135.11714	3.7
137.05956	1.9
137.09641	3.0
139.03813	1.7
143.08540	5.3
145.04965	8.9
145.10130	2.6
147.04413	2.2
147.08051	16.0
147.11742	2.2
149.05986	1.2
149.19215	1.1
151.07587	2.2
151.11224	3.6
157.18704	1.4
159.11757	1.6
161.09621	20.0
163.03880	4.3
163.11221	4.2
165.09135	22.1
167.07135	1.8
171.08087	1.9
173.13144	1.2
175.11189	2.6
177.05545	1.6
179.10686	19.4
185.13138	1.2
187.14803	1.8
189.09099	18.1
199.47868	1.3
204.21794	1.0
207.10167	26.8
215.07181	1.4
221.11523	1.2
225.11221	39.3
225.13354	2.3
226.11438	1.3
249.11263	1.2
259.09644	1.3
267.12265	3.5
271.16937	1.5
285.18530	2.6
287.05438	1.3
289.17969	1.7
313.17908	3.0
315.12216	2.0
331.19113	13.8
333.13400	7.9
349.20117	21.5
351.14297	8.0
356.45322	1.2
367.20956	2.1
391.21082	12.9
421.22214	3.8
439.21210	3.5
457.22250	47.2
458.22769	3.4
475.23254	48.9
476.23572	2.7
493.24408	8.4
495.50436	1.2
525.16266	2.7
606.36566	1.9
615.28351	3.1
650.35864	5.5
651.25177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01875	1.8
55.05518	7.9
55.92121	1.3
57.03439	9.0
57.07077	2.0
59.92836	1.1
67.05511	7.8
69.03440	5.4
69.07066	7.1
70.60645	4.4
71.01360	1.7
71.04996	44.4
73.02914	2.5
75.04477	4.9
79.05479	6.0
81.03424	5.0
81.07062	16.9
83.04978	12.9
83.08625	3.8
85.02908	68.6
85.06538	2.6
87.04472	2.0
91.05472	9.7
91.54604	1.2
93.07041	14.5
95.01362	2.5
95.04991	4.9
95.08608	31.8
97.02885	5.5
97.06547	1.4
97.10178	1.8
99.04417	1.7
103.05469	3.2
105.07033	25.5
105.07680	2.1
106.07999	1.0
107.04971	2.2
107.08591	29.9
109.02876	5.6
109.06539	2.2
109.10156	20.3
111.04460	21.9
111.08083	6.3
113.06013	2.3
117.07045	4.6
119.08587	40.1
120.08917	1.9
121.06539	3.6
121.10149	30.1
122.10483	1.3
123.04449	1.5
123.08055	3.7
123.11733	6.9
126.54730	1.0
127.03915	7.6
129.05486	15.8
129.07001	2.0
131.04956	2.1
131.08578	11.4
133.06526	3.6
133.10141	28.0
135.08067	4.4
135.11705	14.0
137.05977	2.0
137.09648	2.4
137.13258	1.9
141.01826	5.8
143.08620	3.7
145.06496	2.1
145.10135	26.8
147.04512	1.6
147.06534	4.4
147.08041	2.6
147.11688	18.5
148.11995	1.5
149.09668	2.6
149.13252	17.6
153.09131	4.0
155.08537	1.8
157.10161	4.6
158.10814	1.6
159.06525	2.2
159.11688	15.9
161.05991	1.7
161.09619	5.5
161.13260	16.0
163.11223	3.5
163.14835	20.0
165.09146	2.8
165.12695	1.4
167.07072	4.3
167.08438	1.1
167.10684	1.5
169.10085	1.7
171.08073	1.7
171.11736	3.8
172.12312	1.1
173.06020	1.2
173.13261	13.2
175.11276	1.5
175.14836	22.5
177.12898	2.5
177.16403	23.7
179.10716	1.6
179.14388	1.6
183.11696	1.9
185.13269	6.9
187.11270	2.0
187.14830	49.8
188.15163	1.6
189.09109	1.4
189.12767	4.6
189.16389	32.2
191.07056	5.2
191.14316	6.8
191.18002	6.7
193.08607	6.2
193.15862	1.7
197.13388	2.0
199.14827	7.1
201.09035	1.4
201.16394	28.6
202.16823	2.0
203.14365	4.5
203.17961	39.7
204.18243	1.4
205.08665	3.6
205.15909	17.5
205.19589	2.2
207.10239	1.9
207.13837	1.2
207.17433	2.4
209.13503	1.3
213.16397	6.2
215.14366	1.9
215.17958	11.3
217.15935	3.5
217.19475	2.5
219.06540	3.6
219.10213	1.3
219.17485	4.2
221.08031	1.3
221.15472	1.8
221.19164	2.5
223.14944	1.3
223.16899	5.4
225.11226	2.4
225.16362	1.5
227.18166	1.6
229.16016	1.5
229.19566	4.6
231.10214	3.3
231.17484	2.2
233.15295	1.5
235.16931	7.3
239.17798	1.3
241.19490	1.8
243.17587	3.0
243.21239	1.9
245.08159	2.8
247.16946	7.5
249.18610	4.8
261.18515	7.8
263.20178	4.0
267.21106	1.2
271.09637	2.1
275.20090	1.9
295.13184	2.0
297.14868	2.7
299.09216	3.9
299.16599	1.4
301.10858	1.9
309.25745	2.7
317.10175	1.7
355.20166	1.2
375.30475	3.2
377.32089	3.5
391.33545	3.5
393.31522	21.9
394.31967	1.7
395.33066	12.4
409.34711	9.3
411.32550	21.3
413.34177	6.9
421.31104	17.2
437.34119	7.8
439.32135	25.5
455.35400	2.7
457.33160	100.0
458.33469	3.2
467.31763	1.7
505.25937	3.7
549.35211	1.4
567.36603	6.7
585.37360	1.7
631.28931	2.8
631.38226	13.8
649.29749	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	649.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46103	0.9
55.01870	1.7
55.05512	7.4
57.03439	11.7
57.07059	1.1
58.65695	0.7
59.04999	1.5
61.02927	1.2
62.83367	0.7
67.05506	6.6
69.03429	6.2
69.07063	7.1
69.63892	5.3
71.01355	1.1
71.04994	45.6
72.46344	0.8
73.02911	3.3
75.04477	6.2
79.05489	5.0
81.03422	2.2
81.07062	14.0
83.04987	10.5
83.08624	4.4
84.08122	0.8
85.02907	71.0
85.06544	3.0
87.04491	2.3
91.05475	5.9
91.94507	0.8
93.07044	13.2
95.04964	3.0
95.08611	25.8
97.02917	3.8
97.06528	3.9
97.10192	1.5
98.20827	1.6
99.04464	1.7
105.07029	16.1
107.05003	0.9
107.08591	25.6
109.02883	3.2
109.06510	4.1
109.10160	13.1
111.04453	19.0
111.08067	3.9
113.05988	1.3
115.05491	0.8
117.07018	1.6
119.08585	32.5
120.08861	1.3
121.06501	3.8
121.10145	22.9
123.08085	2.7
123.11700	7.0
125.06014	1.4
125.09628	3.1
127.03901	4.9
128.04228	1.1
129.05482	18.2
129.06987	1.6
131.08589	10.1
133.10130	18.3
135.08051	4.5
135.11693	10.4
137.05992	3.4
137.09628	2.1
137.13280	1.5
143.08568	3.0
145.02872	0.8
145.04967	2.0
145.10123	21.7
147.06543	5.8
147.08060	2.2
147.11687	15.7
148.12013	1.3
149.05992	1.3
149.09648	2.3
149.13252	11.7
150.13582	0.9
151.07497	1.2
153.09120	3.8
155.08545	1.3
157.10172	4.0
159.06555	2.7
159.08044	0.9
159.11713	13.9
161.09592	2.5
161.13263	14.0
163.03862	1.7
163.11191	3.6
163.14818	15.3
165.12845	1.2
170.10670	0.9
171.11707	4.2
172.12474	1.6
173.13249	12.1
175.07613	1.0
175.11244	1.7
175.14844	15.5
176.15146	1.0
177.05518	2.2
177.12859	1.7
177.16388	20.6
179.10718	1.6
179.14339	2.6
183.11691	1.0
185.13235	7.8
187.11162	1.4
187.14822	38.5
188.15190	1.6
189.09111	1.0
189.12737	3.9
189.16385	26.3
191.14293	6.7
191.17975	5.8
193.15982	1.5
197.13184	1.3
199.14807	6.9
201.12709	1.4
201.16391	22.8
203.14351	4.6
203.17952	26.2
205.15884	14.6
205.19554	1.2
207.13832	2.1
207.17169	0.9
209.15355	1.3
211.14746	1.1
213.16373	5.4
213.30908	1.0
215.17894	7.5
217.15918	3.0
219.17480	4.0
221.15387	2.6
223.16907	4.6
227.17961	2.5
229.19469	4.2
231.17419	1.2
233.15347	1.9
234.17857	0.9
235.16980	4.3
239.17918	1.4
241.19527	2.4
243.17499	2.4
243.21182	1.0
245.19041	1.6
247.16917	7.0
249.18512	2.5
253.19542	1.3
255.21107	1.2
261.18460	7.0
263.20074	2.7
267.21103	1.3
275.20139	2.3
281.22614	1.0
285.18362	1.2
309.11371	3.9
309.25821	2.3
315.20023	0.9
331.19125	1.9
332.19424	1.7
337.28699	1.0
341.13791	2.4
355.26447	1.1
375.30457	3.6
377.32068	3.5
393.31494	19.9
394.31854	1.2
395.33084	8.8
409.31207	1.3
411.32614	22.6
412.32834	1.1
413.34152	7.8
421.31012	16.2
422.31485	1.0
423.32425	1.1
429.64352	0.8
439.32068	27.3
440.32327	1.8
457.33145	100.0
458.33469	5.8
463.32407	1.2
467.31619	1.3
498.22266	0.9
567.36884	5.3
585.37744	2.3
603.38843	1.4
613.37170	1.0
631.38403	17.1
632.38641	1.4
649.39545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05518	1.4
56.40041	0.4
57.07082	3.5
60.49155	0.4
65.03941	0.6
67.05162	0.8
67.05508	8.6
69.03429	0.8
69.07073	8.9
70.06599	0.7
71.08640	0.7
72.08183	0.5
72.96821	0.4
79.05494	5.4
81.03434	0.9
81.07063	100.0
82.07399	1.6
85.02910	3.4
86.06076	1.0
86.09723	0.5
91.05486	5.9
93.07046	2.3
94.21661	0.4
95.04975	0.9
95.08614	45.6
97.02901	3.2
97.06513	0.4
98.98470	4.4
99.04456	1.4
103.03954	4.7
105.07055	1.4
105.33392	0.4
107.04991	0.6
107.08593	1.1
109.02915	0.8
109.10159	2.8
117.07082	0.4
119.04967	3.1
119.08614	0.6
127.03922	5.3
131.08577	0.5
133.10139	1.0
135.08063	2.1
137.13268	62.7
138.13620	1.5
143.08656	0.4
145.04971	3.1
145.10147	0.5
147.04420	9.0
147.05516	0.6
147.11627	0.4
149.13292	0.4
152.39085	0.4
157.10159	0.5
159.11688	0.4
163.06036	3.4
176.13268	0.5
177.05518	1.0
181.04901	0.5
189.16542	0.4
190.96280	0.6
204.06612	0.4
205.06805	0.4
217.15897	1.1
233.05809	0.9
235.11000	6.9
235.13214	0.7
235.16992	1.0
253.17950	1.0
271.08148	0.6
289.09064	0.6
307.09976	1.3
451.93698	0.4
515.96448	0.4
624.34949	0.4
649.13550	0.6
649.25024	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	649.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.1
55.01879	0.5
57.03425	0.4
61.02917	0.2
68.99784	0.2
69.03425	19.9
70.06592	0.2
71.01345	0.2
71.04977	0.4
71.21952	0.3
77.28780	0.2
79.05502	0.2
81.03416	0.4
81.07078	0.3
82.20994	0.2
84.52007	0.1
85.02898	5.1
85.80555	0.2
87.04451	0.2
90.66203	0.2
91.05460	0.4
92.54896	0.2
95.04945	0.3
95.08621	0.3
97.02887	56.7
99.04401	0.2
103.05493	0.2
105.07034	0.2
107.04919	0.2
107.08569	0.3
109.02885	0.3
111.00813	0.5
111.04423	0.2
115.03922	2.0
117.03387	0.3
119.04960	0.2
119.08569	0.4
121.02858	1.6
121.06546	0.2
125.09604	0.3
127.03898	1.2
129.05449	0.2
133.02840	0.3
137.02348	0.4
137.05983	0.3
139.03931	0.4
145.02846	0.5
145.06401	0.2
147.04413	0.7
147.11681	0.2
153.01823	2.1
157.04956	15.7
161.05824	0.2
163.03896	0.6
165.01852	1.3
167.06970	0.3
177.05479	0.9
178.05844	0.2
183.02872	0.6
185.05945	0.3
187.03851	0.2
202.67171	0.2
206.28673	0.2
213.05411	1.1
217.05016	0.3
217.07077	5.4
231.06477	0.6
241.04904	0.7
258.05212	0.7
259.05923	0.2
287.05481	100.0
288.05853	1.4
299.05560	0.2
365.06644	0.3
383.08014	0.2
383.29871	0.2
433.11325	6.3
482.53885	0.2
503.11398	0.3
649.24579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50636	1.4
53.03936	6.0
55.01865	3.3
55.05501	3.4
57.03418	2.3
67.05498	6.2
67.57702	1.2
69.03433	12.3
69.07056	5.4
70.09155	3.4
70.09562	3.7
71.04989	5.6
72.15863	1.3
79.05481	5.9
81.03425	24.7
81.07061	11.7
83.01343	1.6
83.04978	4.3
83.08611	1.7
85.02905	7.8
85.06515	1.7
85.74178	1.3
87.04497	1.7
91.05479	11.4
93.07043	17.5
95.04975	6.8
95.08617	13.7
97.02895	22.1
97.06526	3.1
99.04456	5.1
103.05465	2.6
105.06382	2.1
105.07035	22.3
107.08595	23.1
109.02885	100.0
109.06518	10.1
109.10158	6.7
111.04442	6.5
111.08092	6.8
117.07033	2.4
119.08584	43.7
120.08915	2.3
121.02875	15.2
121.06508	22.5
121.10152	17.4
123.04398	2.1
123.08054	13.2
123.11724	5.7
125.09633	80.4
127.03927	82.2
131.08565	4.8
133.06490	1.7
133.10146	36.3
135.08064	3.2
135.11665	8.5
137.06065	2.2
137.09602	4.1
143.08545	3.8
145.02884	1.9
145.04988	9.4
145.10124	9.9
147.04425	3.3
147.08057	20.0
147.11676	4.4
149.09619	1.8
151.07524	2.5
151.11163	4.2
157.10114	2.7
159.08009	2.1
159.11725	2.8
161.09618	24.4
161.13223	3.3
163.03932	2.8
163.11159	3.3
165.09134	23.7
171.11693	3.2
173.13266	4.2
175.11205	2.5
175.14784	3.7
177.05562	2.0
179.10701	19.7
184.07393	1.5
187.14798	3.4
188.15144	1.6
189.09119	18.5
191.14343	3.1
199.14789	1.9
201.16354	3.4
203.17870	2.2
205.15886	1.8
207.10182	29.7
215.18150	1.4
217.12291	1.9
225.11224	36.7
229.08661	1.7
229.15793	2.9
233.11623	1.9
245.15550	1.5
257.19046	1.8
259.09732	1.6
267.12225	5.1
271.17023	1.8
285.18591	3.5
289.18173	2.0
303.19522	4.4
313.18076	2.5
315.12408	1.6
331.19046	20.9
333.13257	4.7
349.20035	22.2
351.14505	8.5
367.21118	2.3
391.21133	19.4
399.10812	1.5
400.11032	1.7
421.22064	5.0
422.15741	1.6
439.21097	3.7
439.32343	1.7
457.22296	54.6
457.32034	7.3
458.22269	2.2
458.33102	2.1
475.23331	55.2
476.23441	2.6
493.24390	11.5
518.55438	1.4
586.27264	3.1
631.27161	1.9
648.37732	2.1
649.26404	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56757	0.6
53.03938	3.4
55.01864	1.5
55.05503	2.4
65.03930	3.1
67.05496	2.3
69.03429	8.5
69.07066	1.4
69.70488	5.1
70.06575	1.4
71.04987	2.2
79.05476	2.8
81.02983	1.1
81.03418	15.5
81.07059	6.5
83.01357	1.3
83.04973	1.6
84.21251	0.8
85.02891	2.4
85.06511	0.9
87.04465	0.8
91.05489	6.4
93.07041	7.9
95.04955	2.0
95.08615	6.4
97.02889	17.7
97.06490	1.2
99.04442	2.4
103.05479	0.9
105.07029	11.4
107.04948	1.5
107.08588	11.6
109.02876	79.0
109.06506	5.8
109.10121	3.4
111.04419	5.2
111.08072	3.4
111.99356	0.7
113.06018	0.9
116.90140	0.7
117.07005	1.7
119.08585	23.7
121.02863	100.0
121.06497	2.2
121.10135	11.0
122.03245	0.8
123.08074	8.8
123.11679	2.7
124.08884	0.9
125.09623	56.8
127.03912	51.1
127.04642	0.9
129.07036	0.9
130.07730	0.8
131.04915	1.5
131.08569	2.1
133.06493	2.2
133.10127	23.2
133.98921	0.7
135.04401	1.6
135.11690	3.7
137.06015	1.6
137.09590	3.0
139.03897	0.8
143.08575	3.8
143.13451	0.7
145.04973	6.5
145.10118	2.1
147.04411	1.3
147.08043	12.3
149.09674	1.6
151.07535	1.5
151.11192	2.6
157.10118	1.6
161.05949	1.3
161.09631	15.0
163.03949	6.9
163.07547	1.4
163.11172	2.2
164.04243	0.9
165.09100	16.7
167.07033	1.8
169.10069	1.0
171.08020	1.0
177.05418	1.8
179.10658	12.0
187.07310	0.8
189.09091	13.3
201.16356	0.8
207.10161	18.7
225.09003	1.6
225.11212	29.9
237.11156	1.2
247.05974	2.1
247.93394	0.9
265.07126	0.9
267.12222	3.2
271.16943	2.1
285.18445	0.8
289.17944	2.3
313.17972	2.2
315.12201	2.1
331.19016	10.9
333.13626	4.2
349.20111	13.1
351.14435	5.7
363.14407	1.0
367.21213	1.0
369.53543	0.8
391.21042	8.0
421.21851	2.4
439.21164	2.8
457.22232	30.2
475.23300	32.1
493.24243	5.9
595.25024	2.3
613.26489	6.4
631.27423	8.9
649.24841	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.6
55.01884	3.0
55.05292	1.8
55.05514	11.9
57.03431	2.5
57.07069	3.5
67.05506	20.5
68.56593	2.0
68.73028	2.1
69.03428	7.6
69.07080	17.6
69.29679	1.8
71.59708	2.1
71.60198	2.2
73.93026	2.0
79.05501	15.1
81.03421	3.3
81.07058	45.6
83.05000	10.0
83.08610	8.5
85.02911	7.0
91.05486	21.8
93.07043	41.8
94.91611	2.3
95.01323	5.2
95.04971	7.2
95.08611	74.7
97.02891	7.2
97.06542	8.0
97.10163	5.8
99.04466	2.8
105.07034	59.6
107.08598	74.6
109.02874	9.8
109.06516	8.2
109.10161	43.0
111.04422	3.0
111.08099	5.8
117.07018	6.7
119.08587	100.0
121.06504	8.4
121.10143	52.0
121.11010	3.6
122.21534	1.8
123.08061	8.3
123.11685	15.7
125.09656	14.2
127.03890	9.3
129.07018	5.4
130.07779	2.7
131.08578	41.2
133.06551	2.3
133.10136	62.2
135.08055	5.0
135.11694	31.3
137.05995	3.8
137.09601	3.2
137.13293	2.9
141.01791	6.7
141.06992	3.1
142.07745	3.0
143.08575	11.0
144.09319	2.5
145.10130	71.6
147.08067	4.8
147.11690	46.7
149.09621	8.9
149.13263	29.7
151.11218	2.7
152.07077	4.1
153.09093	4.0
155.08479	2.8
156.09346	3.9
157.10127	19.7
159.02858	2.4
159.11711	58.8
161.09634	7.7
161.13260	36.8
163.03831	2.4
163.11186	7.6
163.14842	32.5
165.09120	3.9
167.10767	2.2
169.10106	3.7
170.08090	3.9
170.10913	4.8
171.11748	14.1
173.09608	2.4
173.13269	57.7
173.18915	2.5
175.11272	4.0
175.14827	43.3
177.12794	5.8
177.16383	35.0
179.10690	4.0
179.14366	2.2
183.11702	4.9
185.13286	12.7
187.14825	79.5
189.09108	2.9
189.12810	6.5
189.16373	69.2
191.14305	17.0
191.17938	18.0
193.15839	4.6
197.13312	5.3
199.14827	24.5
201.12720	2.8
201.16385	65.7
202.16663	2.3
203.14371	9.5
203.17964	90.7
205.15897	19.2
205.19504	3.7
207.17398	4.2
211.14815	4.7
213.16367	27.2
215.14377	4.4
215.17967	26.5
217.15913	15.4
217.19496	5.7
219.13931	3.0
219.17490	23.6
219.20947	2.3
221.15370	14.0
221.18991	3.2
223.16988	2.9
225.11264	3.0
225.16505	2.7
227.17982	7.5
229.15999	3.1
229.19525	8.0
231.17354	10.7
233.15506	5.0
233.19072	5.9
235.16922	13.7
239.18024	4.1
239.99547	2.3
241.19588	5.0
243.21132	2.3
247.16891	15.2
249.18512	12.2
253.19493	2.9
255.21031	3.8
259.20612	2.3
261.18472	9.5
267.21255	3.8
275.20044	5.7
279.89767	2.3
281.22736	3.8
302.11261	2.2
309.25809	2.2
315.19934	2.0
327.23190	8.5
329.24585	3.5
341.24902	3.3
349.28973	5.1
377.31961	14.3
379.17499	9.3
379.34076	2.1
389.32147	14.8
395.28879	4.3
395.33630	9.5
397.18799	3.3
405.31439	6.2
407.33112	49.3
408.33539	2.1
409.34726	4.6
411.28943	6.1
417.31448	2.7
423.32669	19.7
425.34048	26.3
435.32632	46.1
441.33633	14.5
453.33633	63.1
454.33997	3.5
457.21945	2.3
469.32925	4.0
471.34738	61.1
472.34900	6.6
565.35034	2.9
583.36578	14.9
593.34338	3.0
601.37427	17.8
611.35992	6.6
629.36407	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	647.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43370	1.9
55.05498	10.9
57.07055	6.8
59.04987	2.0
67.05506	14.9
69.03414	6.3
69.07069	21.5
70.34316	9.1
71.04973	2.7
71.36440	1.8
73.02960	1.8
79.05482	15.6
81.07055	49.6
81.97150	1.9
83.04976	7.8
83.08607	9.0
85.02889	5.9
91.05458	20.6
93.07043	44.4
95.01316	4.0
95.04957	7.9
95.08603	78.2
95.22663	1.8
97.02872	8.2
97.06532	6.7
97.10160	5.3
98.20856	3.0
98.29841	1.7
105.07029	63.2
107.08594	74.2
108.08916	1.9
109.02915	4.3
109.06506	6.9
109.10154	50.9
111.08070	7.8
111.11668	1.8
115.05404	2.2
117.07005	9.2
119.04910	2.5
119.08576	91.0
121.06503	8.8
121.09307	3.8
121.10140	54.4
121.11017	2.8
123.08054	6.4
123.11713	15.6
125.02309	1.9
125.09602	10.3
127.03927	3.6
129.06984	2.2
131.08571	48.1
133.06470	2.4
133.10133	72.9
135.08044	5.5
135.11697	30.1
137.05920	2.8
137.09628	4.8
137.13205	2.6
141.01842	7.4
143.08543	12.0
143.54808	1.9
145.10117	77.6
147.04388	5.7
147.08040	3.9
147.11693	44.0
149.09624	9.5
149.13257	27.3
151.11247	2.6
153.09103	2.2
155.08522	3.1
156.09372	2.3
157.10132	20.8
158.10918	2.1
159.11687	59.1
161.09642	8.1
161.13260	45.9
163.03856	3.1
163.11157	7.2
163.14818	38.5
165.09094	3.2
169.10141	5.9
170.10963	2.7
171.11682	15.0
172.12390	2.3
173.09616	2.0
173.13260	68.8
174.13577	2.3
175.11214	6.5
175.14835	49.7
177.12767	5.9
177.16382	42.4
177.17752	1.2
179.10583	2.0
183.11690	4.6
184.12405	2.6
185.13263	16.7
187.14819	82.4
188.15115	3.5
189.12711	7.3
189.16377	67.8
190.16702	2.1
191.14294	17.9
191.17900	17.3
193.12274	2.3
193.15820	8.8
195.11519	2.6
197.13193	4.4
199.14809	24.8
201.12724	3.1
201.16370	78.2
201.18239	4.1
202.16692	2.7
203.14345	16.3
203.17957	100.0
205.15872	24.5
205.19588	4.5
207.17459	4.4
211.14813	5.6
213.16399	27.7
214.16756	2.6
215.14436	2.4
215.17958	27.1
217.15941	13.7
217.19481	4.7
219.17459	27.3
221.15355	12.2
221.19067	2.6
223.16956	5.2
225.11079	2.5
225.16341	3.6
227.17966	9.3
229.15822	2.5
229.19470	8.9
231.17442	9.2
231.21181	1.9
233.15346	2.4
233.19003	6.9
235.16953	11.8
239.17972	3.0
241.19612	5.4
243.20981	3.2
247.16904	15.3
249.18452	11.1
253.19394	3.9
255.20966	2.8
257.19025	2.8
259.16968	2.4
261.18646	9.9
267.21100	3.0
269.22519	2.2
275.20044	4.5
281.22562	4.7
283.24155	2.7
295.23834	2.6
309.25647	3.3
327.23206	8.3
341.24777	2.7
349.28653	2.2
377.32013	18.9
379.17609	13.5
389.31961	15.9
394.05206	2.1
395.29166	5.3
395.33719	8.9
397.18436	5.9
405.31458	5.0
407.33096	49.2
408.33322	4.4
409.34442	6.8
411.28857	6.5
423.32620	22.2
425.34229	23.7
426.34464	2.1
433.31116	2.4
435.32559	47.8
441.33630	13.8
451.31940	4.3
453.33609	68.8
454.34296	2.6
469.33356	2.3
471.34702	69.5
472.35059	6.9
565.34644	3.5
583.36450	14.2
601.37378	16.6
611.35602	5.3
629.36493	4.4
647.37769	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	647.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
51.37469	0.5
51.89943	0.5
53.03943	3.3
53.31347	0.5
55.01861	1.4
55.05508	2.5
55.21836	0.5
57.03442	1.5
60.11740	0.5
65.03944	0.5
67.05498	3.2
69.03426	9.2
69.07060	1.9
70.51850	1.6
71.04986	2.1
73.02915	0.8
74.89005	0.4
77.03932	0.8
78.23826	0.5
79.05484	5.1
81.03414	19.5
81.07051	8.2
83.01333	1.3
83.04961	2.0
83.08611	1.5
85.02888	2.9
91.05471	8.9
93.07041	12.0
95.04980	1.7
95.08604	8.2
97.02275	0.9
97.02885	18.5
97.06506	0.9
99.04445	4.0
103.05445	1.1
105.07021	15.1
107.04951	1.6
107.08585	16.0
109.02872	100.0
109.06500	7.0
109.10146	5.3
111.04444	3.8
111.08089	7.1
113.05973	1.2
115.03981	0.7
117.07023	1.4
119.04956	1.6
119.08574	35.0
120.08923	0.8
121.06523	2.9
121.10135	12.2
123.04447	1.4
123.08062	10.9
123.11695	3.9
124.08807	1.7
125.09620	73.2
126.09971	1.5
127.03908	64.3
128.04257	0.6
128.06204	0.9
129.06982	1.2
131.04898	0.9
131.08568	2.2
133.06485	2.0
133.10117	30.4
135.04376	0.8
135.08057	1.5
135.11690	4.4
135.57838	0.5
137.02319	1.8
137.05968	4.9
137.09618	3.4
139.07556	0.7
143.08568	5.3
145.04945	8.6
145.06474	1.4
145.10144	4.4
147.04379	2.3
147.08034	17.6
147.09213	0.9
147.11678	0.9
149.05995	0.6
149.09622	1.0
151.07526	2.5
151.11180	3.5
153.06905	1.0
157.06480	0.8
157.10126	1.0
159.11697	2.0
161.05930	1.6
161.09610	21.5
161.13234	0.8
162.09956	0.6
163.03871	3.1
163.07492	1.2
163.11191	2.9
163.14813	0.8
165.05452	2.3
165.09105	20.6
169.10088	0.7
171.08014	1.5
171.11687	1.1
173.09560	0.8
173.13210	2.3
175.07526	1.6
175.11122	1.3
175.14703	0.7
177.05345	1.2
179.10658	16.3
181.06567	0.6
185.06021	0.8
185.13275	0.8
187.11153	1.1
187.14804	1.7
189.09094	18.7
189.12727	0.6
189.16362	1.1
191.14307	0.6
193.92976	0.6
197.13234	0.8
199.07549	1.8
201.12646	0.9
201.16360	2.0
203.07010	0.9
203.10648	0.9
203.17891	1.8
207.10152	23.1
208.10497	0.7
215.17883	0.6
217.08617	2.0
217.12233	0.5
219.13737	1.1
221.08049	3.8
225.11191	44.5
226.11600	0.8
227.06969	1.5
229.15968	0.9
243.12135	0.7
243.17407	1.0
245.08099	7.0
249.11163	1.3
253.16019	1.1
263.09094	5.3
267.12265	4.8
271.16843	1.7
285.18329	0.9
289.17926	2.1
295.16824	1.5
303.19556	0.8
313.18106	2.8
313.21368	0.6
315.12231	2.7
331.19009	12.9
332.19098	0.6
333.13260	6.5
349.20084	15.2
351.14307	9.2
367.21051	1.5
391.21240	8.1
407.33185	0.8
409.22327	0.8
421.21616	2.0
433.21582	0.6
435.32224	0.7
439.21100	1.7
451.23175	0.7
453.33450	1.0
457.22217	22.1
475.23242	16.8
493.23901	2.4
564.99365	0.7
611.27869	1.0
647.25879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03946	3.8
55.01881	1.6
55.05512	1.7
57.03440	1.3
59.04991	0.7
64.36613	0.6
65.03970	0.7
67.05506	2.5
68.70641	0.5
68.99809	0.5
69.03429	7.8
69.07078	1.0
70.96910	1.2
71.04993	2.2
72.52693	0.5
73.02905	0.9
79.05498	4.4
80.20928	0.5
81.03423	20.2
81.07051	6.2
83.01346	1.0
83.04986	1.3
83.08617	0.9
85.02924	1.5
85.06550	1.0
91.05482	6.5
93.07045	10.1
95.04972	2.0
95.08607	7.0
97.02895	18.9
99.04454	2.9
105.07036	12.7
107.04942	1.1
107.07870	0.8
107.08589	13.5
109.02882	100.0
109.06518	6.7
109.10170	3.7
110.03162	0.6
111.04427	2.5
111.08088	4.2
115.03945	0.8
115.05457	0.5
117.07035	1.5
119.04987	0.7
119.08582	31.3
121.06512	2.8
121.10145	11.9
121.11013	0.5
123.04421	1.3
123.08075	9.4
123.11698	3.4
124.08858	1.3
125.09633	68.0
126.09953	1.0
127.03919	64.6
128.04207	0.9
128.06244	1.2
129.07050	0.8
130.07796	0.6
131.04930	0.9
131.08556	1.5
133.06485	1.8
133.10132	27.9
135.08067	1.0
135.11723	3.1
137.02351	43.5
137.03410	3.0
137.05974	1.6
137.09634	4.3
139.07579	0.5
143.08566	5.1
145.04961	8.2
145.10132	2.1
146.07306	0.5
147.04395	0.6
147.08047	16.1
147.11703	0.7
149.05975	0.7
151.07539	1.8
151.11150	2.7
157.10126	1.1
159.11734	0.7
161.06029	1.3
161.08275	1.1
161.09618	18.2
163.03920	1.2
163.07539	1.3
163.11235	2.6
165.09120	19.7
167.07034	3.5
167.10770	0.6
169.10143	0.5
171.08051	1.4
171.11838	0.6
173.09648	1.0
173.13231	0.6
175.07530	0.5
175.11192	1.0
175.14925	0.6
177.05487	0.6
179.10670	15.7
179.12189	1.0
187.14830	0.6
189.05447	1.2
189.09114	16.0
193.04926	0.7
200.92311	0.5
203.10635	0.6
207.10172	22.3
215.10576	0.7
217.04962	1.5
225.11227	42.1
225.95653	0.5
229.15927	1.1
231.13757	0.7
233.11563	0.9
245.04517	1.1
249.11212	1.0
253.15991	0.6
263.05475	0.7
267.12277	5.4
267.17377	1.0
271.16852	1.4
285.18375	1.0
287.12759	0.6
289.18008	2.8
295.16974	0.7
297.13519	0.8
303.19730	0.8
313.17996	2.9
315.12204	2.2
331.15540	0.6
331.19083	11.0
333.13312	6.2
349.20087	10.6
351.14398	7.4
367.21027	1.1
370.63629	0.5
377.27164	0.6
391.21115	6.5
421.21924	2.4
439.20767	1.2
457.22250	19.3
458.22388	1.0
475.23303	16.9
493.24170	2.0
629.25732	1.3
647.26361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.2
63.02342	0.6
65.03939	0.1
67.05503	0.2
69.03423	0.2
70.06585	0.4
71.05006	0.1
78.04721	0.4
79.05505	0.3
81.03420	0.3
81.07068	0.3
83.08633	0.1
85.02905	0.3
86.09734	0.2
89.03920	6.6
91.05477	1.1
93.07047	0.4
95.04982	0.3
95.08597	0.1
97.02892	3.2
103.05464	0.4
104.39063	0.1
105.07045	0.2
106.04167	0.4
107.08574	0.2
109.02872	0.2
109.10146	0.6
117.03383	21.2
118.03707	0.4
119.04940	1.8
119.08585	0.3
121.02882	0.3
121.06487	0.2
121.10148	0.2
124.05211	0.3
127.03877	0.3
131.08591	0.1
133.10106	0.2
134.03629	1.8
135.04408	2.1
137.05933	0.1
137.09616	1.7
139.03883	0.1
143.30489	0.1
145.02849	53.5
146.03181	0.8
147.04413	6.1
148.04736	0.2
149.05981	7.9
158.05994	0.5
159.08067	0.1
162.03139	0.2
163.03915	1.1
164.04230	0.1
165.09123	2.4
167.07059	0.7
168.07420	0.2
177.05473	100.0
178.05795	1.5
185.04517	0.2
186.05510	2.8
187.05803	0.1
205.04958	0.1
215.10669	0.2
233.11780	0.3
237.02794	0.1
247.06099	0.3
253.08743	0.1
261.11176	0.3
279.12320	0.9
281.08136	0.3
297.13309	0.3
315.14307	0.2
323.09134	0.1
333.20551	0.1
607.42346	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	645.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01863	1.5
55.05508	5.9
57.03424	1.4
57.07080	1.4
67.05500	13.0
69.03423	3.9
69.07073	12.2
70.38378	3.2
73.02919	2.5
79.05494	14.1
80.86401	1.2
81.03426	1.4
81.07055	48.8
83.04979	2.3
83.08618	5.2
85.02907	6.5
85.06568	1.7
91.05471	16.0
93.07040	28.0
95.04973	2.8
95.08604	45.7
97.02883	4.2
97.06532	7.5
97.10133	1.9
98.20841	1.8
99.04426	1.8
99.08168	1.3
100.86885	1.3
101.02389	1.4
103.05485	1.4
105.07030	37.4
107.08591	42.7
109.06512	3.2
109.10152	25.1
111.08083	5.9
113.02364	1.4
117.06981	7.2
119.04971	1.5
119.08578	61.1
121.06511	9.4
121.09319	2.2
121.10146	29.7
123.04413	7.5
123.08061	11.7
123.11698	7.0
124.04721	2.4
125.09624	6.0
126.09180	3.9
127.03876	3.0
129.07002	2.7
130.07724	2.0
131.08580	26.8
133.06499	2.9
133.09122	1.7
133.10123	28.0
135.08040	5.4
135.11702	17.7
137.05966	3.3
137.09602	4.2
137.13258	5.3
141.01796	1.7
142.07767	1.4
143.06978	1.7
143.08542	9.8
144.09332	3.4
145.02783	2.8
145.06430	1.5
145.10123	48.8
146.10591	1.3
147.04413	3.3
147.08041	5.3
147.11685	29.2
149.09628	8.1
149.13264	16.0
151.11153	2.0
155.08574	2.1
156.09355	2.7
157.10112	17.7
158.10886	2.0
159.08041	2.5
159.11693	46.2
160.12096	1.4
161.05957	2.1
161.08255	3.0
161.09622	16.2
161.13254	26.7
163.03906	3.5
163.07516	2.2
163.11166	11.6
163.14813	16.5
167.07057	3.8
169.10126	4.6
170.10930	5.4
171.08028	1.5
171.11673	16.3
173.09686	2.9
173.11775	2.1
173.13257	34.7
173.66661	1.6
174.13649	1.3
175.11227	4.8
175.14813	37.0
176.11731	1.5
177.05438	4.4
177.12755	5.1
177.16388	9.1
179.14371	2.8
181.04935	1.7
181.10155	1.7
183.11726	4.6
185.13252	26.6
187.11221	4.0
187.14819	49.7
189.12724	17.6
189.16379	19.9
191.06982	2.1
191.14297	58.6
191.17947	4.9
192.14690	1.9
193.15833	6.8
195.11804	1.6
196.65860	1.3
197.13264	7.0
199.14777	16.7
201.12767	6.6
201.16377	34.7
201.18262	2.0
203.14371	13.2
203.17952	10.6
205.15872	18.4
207.17500	2.6
211.14867	3.8
213.16376	14.6
215.14279	6.2
215.17976	5.4
217.15843	9.0
217.19550	2.3
219.13950	2.3
219.17422	17.4
221.15401	4.5
221.18988	2.3
223.14894	1.3
227.14449	1.6
227.18005	3.9
229.15894	5.1
229.19432	2.7
231.17433	6.9
233.19188	2.0
235.16933	2.3
239.18015	1.6
241.19540	2.1
243.17592	2.4
245.15469	1.5
245.19077	3.0
247.17021	3.5
248.12892	7.6
249.13190	5.0
249.18559	1.5
259.20544	2.5
265.17917	2.0
277.18018	1.7
277.29819	1.4
293.22745	1.6
299.23727	2.7
343.22717	1.6
375.30505	2.7
377.31943	1.7
379.17490	9.8
381.31390	9.8
387.30411	5.0
393.31497	26.4
394.31885	1.9
395.33078	4.3
405.31494	22.3
407.33063	2.2
411.32584	29.9
412.32620	2.0
421.30872	4.7
423.32523	18.8
424.33081	1.5
427.32129	3.6
433.31015	3.7
439.32013	22.1
441.33444	6.8
451.32156	16.4
457.33142	100.0
458.33368	4.3
469.33130	26.5
470.34268	1.6
487.27386	2.2
487.34192	32.1
488.34265	1.4
551.32867	1.5
563.33289	2.9
569.34674	2.5
581.34680	18.4
599.35382	3.8
609.33832	2.7
627.35010	4.3
645.23669	2.8
645.35852	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01863	1.5
55.05508	5.9
57.03424	1.4
57.07080	1.4
67.05500	13.0
69.03423	3.9
69.07073	12.2
70.38378	3.2
73.02919	2.5
79.05494	14.1
80.86401	1.2
81.03426	1.4
81.07055	48.8
83.04979	2.3
83.08618	5.2
85.02907	6.5
85.06568	1.7
91.05471	16.0
93.07040	28.0
95.04973	2.8
95.08604	45.7
97.02883	4.2
97.06532	7.5
97.10133	1.9
98.20841	1.8
99.04426	1.8
99.08168	1.3
100.86885	1.3
101.02389	1.4
103.05485	1.4
105.07030	37.4
107.08591	42.7
109.06512	3.2
109.10152	25.1
111.08083	5.9
113.02364	1.4
117.06981	7.2
119.04971	1.5
119.08578	61.1
121.06511	9.4
121.09319	2.2
121.10146	29.7
123.04413	7.5
123.08061	11.7
123.11698	7.0
124.04721	2.4
125.09624	6.0
126.09180	3.9
127.03876	3.0
129.07002	2.7
130.07724	2.0
131.08580	26.8
133.06499	2.9
133.09122	1.7
133.10123	28.0
135.08040	5.4
135.11702	17.7
137.05966	3.3
137.09602	4.2
137.13258	5.3
141.01796	1.7
142.07767	1.4
143.06978	1.7
143.08542	9.8
144.09332	3.4
145.02783	2.8
145.06430	1.5
145.10123	48.8
146.10591	1.3
147.04413	3.3
147.08041	5.3
147.11685	29.2
149.09628	8.1
149.13264	16.0
151.11153	2.0
155.08574	2.1
156.09355	2.7
157.10112	17.7
158.10886	2.0
159.08041	2.5
159.11693	46.2
160.12096	1.4
161.05957	2.1
161.08255	3.0
161.09622	16.2
161.13254	26.7
163.03906	3.5
163.07516	2.2
163.11166	11.6
163.14813	16.5
167.07057	3.8
169.10126	4.6
170.10930	5.4
171.08028	1.5
171.11673	16.3
173.09686	2.9
173.11775	2.1
173.13257	34.7
173.66661	1.6
174.13649	1.3
175.11227	4.8
175.14813	37.0
176.11731	1.5
177.05438	4.4
177.12755	5.1
177.16388	9.1
179.14371	2.8
181.04935	1.7
181.10155	1.7
183.11726	4.6
185.13252	26.6
187.11221	4.0
187.14819	49.7
189.12724	17.6
189.16379	19.9
191.06982	2.1
191.14297	58.6
191.17947	4.9
192.14690	1.9
193.15833	6.8
195.11804	1.6
196.65860	1.3
197.13264	7.0
199.14777	16.7
201.12767	6.6
201.16377	34.7
201.18262	2.0
203.14371	13.2
203.17952	10.6
205.15872	18.4
207.17500	2.6
211.14867	3.8
213.16376	14.6
215.14279	6.2
215.17976	5.4
217.15843	9.0
217.19550	2.3
219.13950	2.3
219.17422	17.4
221.15401	4.5
221.18988	2.3
223.14894	1.3
227.14449	1.6
227.18005	3.9
229.15894	5.1
229.19432	2.7
231.17433	6.9
233.19188	2.0
235.16933	2.3
239.18015	1.6
241.19540	2.1
243.17592	2.4
245.15469	1.5
245.19077	3.0
247.17021	3.5
248.12892	7.6
249.13190	5.0
249.18559	1.5
259.20544	2.5
265.17917	2.0
277.18018	1.7
277.29819	1.4
293.22745	1.6
299.23727	2.7
343.22717	1.6
375.30505	2.7
377.31943	1.7
379.17490	9.8
381.31390	9.8
387.30411	5.0
393.31497	26.4
394.31885	1.9
395.33078	4.3
405.31494	22.3
407.33063	2.2
411.32584	29.9
412.32620	2.0
421.30872	4.7
423.32523	18.8
424.33081	1.5
427.32129	3.6
433.31015	3.7
439.32013	22.1
441.33444	6.8
451.32156	16.4
457.33142	100.0
458.33368	4.3
469.33130	26.5
470.34268	1.6
487.27386	2.2
487.34192	32.1
488.34265	1.4
551.32867	1.5
563.33289	2.9
569.34674	2.5
581.34680	18.4
599.35382	3.8
609.33832	2.7
627.35010	4.3
645.23669	2.8
645.35852	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
55.01873	4.2
55.05509	5.8
67.05517	18.8
68.01559	3.2
69.03433	16.1
69.07053	11.5
70.11270	14.6
71.04990	9.1
79.05493	13.4
81.03413	25.6
81.07055	23.1
83.04977	7.7
83.08638	4.0
85.02895	7.9
91.05489	21.2
93.07050	25.1
95.04956	12.5
95.08613	24.0
97.02880	30.9
97.06534	7.7
99.04465	7.2
105.07034	44.7
107.04939	8.0
107.08602	30.0
109.02878	48.9
109.06511	10.7
109.10154	47.8
111.04439	24.7
115.05473	3.4
117.07036	7.2
119.04954	3.3
119.08593	64.4
121.06483	7.9
121.10117	22.6
123.04398	4.2
123.08059	10.4
123.11688	5.6
127.03908	62.8
128.06262	5.3
129.07031	5.5
131.08592	9.2
133.06497	23.7
133.10130	46.2
134.05991	15.2
135.08041	14.3
135.11674	7.1
137.09612	8.0
137.13245	4.8
141.07057	3.0
143.08559	12.3
145.10139	16.7
147.08069	26.8
147.11705	10.3
149.05980	4.6
149.09610	10.6
150.09138	5.7
151.11160	7.4
157.10115	11.4
159.08089	3.4
159.11710	7.2
161.05974	6.9
161.09619	31.8
161.13249	3.5
163.03899	11.3
163.07593	3.7
163.11201	12.2
165.09099	32.4
167.07047	7.5
169.04955	11.0
169.10173	3.8
170.99570	3.2
171.11696	11.0
173.09517	4.1
175.11227	3.8
179.10663	22.3
181.08556	3.6
181.10153	6.7
185.09630	12.6
187.11194	4.6
189.09042	16.3
197.13168	3.7
199.11195	24.7
199.15050	3.1
203.10675	5.3
205.12576	3.4
207.10197	32.4
209.11658	3.5
217.12215	12.0
219.13379	3.5
224.06958	4.9
225.11194	100.0
235.13268	4.5
255.17574	4.5
263.11905	4.5
267.12186	4.8
269.18866	3.5
273.18607	4.1
287.20224	8.0
297.18536	8.7
309.12241	7.6
315.19620	39.3
317.20932	4.3
331.18915	7.8
333.13092	4.8
333.20496	13.9
351.14188	5.1
355.12943	3.8
357.14755	4.0
357.20679	5.6
369.14700	4.1
369.20502	10.5
375.21387	6.5
387.15390	10.4
405.21909	4.0
411.21951	4.3
423.21652	12.1
441.22610	26.7
459.23788	23.2
476.17401	3.4
477.25256	6.1
504.21326	8.4
508.20908	3.6
645.30841	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	645.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11451	1.6
53.03931	2.6
67.05507	9.9
69.03419	5.4
69.07056	3.5
71.60059	2.4
75.53515	1.6
78.46914	1.4
79.05492	5.6
81.03407	5.2
81.07057	4.4
82.06596	1.9
82.10812	1.5
83.04980	2.9
83.08617	1.7
85.02898	3.7
91.05482	7.1
93.07043	12.6
94.06577	13.6
94.07167	1.6
94.07319	1.2
95.04980	4.1
95.07350	7.9
95.08625	7.1
96.08140	16.9
97.02888	6.2
97.06545	4.1
99.04496	1.7
103.05524	2.0
105.07031	6.7
106.06577	1.7
107.07449	1.6
107.08604	6.5
108.04496	2.2
108.08122	16.6
109.02883	16.9
109.06492	4.4
109.10172	4.7
110.09682	34.0
111.04448	3.3
111.08080	1.6
113.68050	1.5
113.77147	1.6
119.08585	9.6
120.08104	20.5
120.41721	1.4
121.06468	2.0
121.10146	4.1
122.06027	13.3
124.07616	3.2
125.09637	10.5
127.03891	11.2
129.07004	1.8
133.10158	8.8
134.06010	4.0
135.11700	3.6
136.07584	15.7
137.06020	1.6
138.09137	36.5
143.08557	2.7
145.02873	3.2
145.10100	3.2
146.06023	3.1
147.08064	4.9
147.11697	2.6
148.07556	10.3
150.09116	4.2
152.07071	10.3
152.10776	1.6
160.03918	8.7
160.07564	1.9
161.09619	5.3
163.03894	2.4
164.07053	6.3
165.09123	4.8
166.08636	46.9
167.07045	5.9
169.10304	1.6
172.03908	4.8
173.13309	1.8
174.09235	1.8
177.05443	2.8
178.05017	4.6
179.10722	3.1
189.09102	3.2
190.04958	4.8
194.09773	1.7
199.08740	2.7
201.16225	2.2
204.06616	10.2
207.10187	2.6
210.11391	2.0
211.08771	3.9
211.12288	4.0
212.13148	1.6
213.06721	1.5
213.10089	3.5
221.10788	2.9
222.11411	3.0
223.08662	4.4
223.12207	2.8
225.09966	14.1
225.13820	3.7
226.11021	10.5
227.11780	6.3
233.08099	1.6
235.08687	3.5
236.09366	1.8
237.10249	10.3
237.13971	3.5
238.11040	8.1
239.08183	7.3
239.11772	19.7
240.12540	4.9
243.03331	1.6
247.16853	2.0
248.09644	4.9
249.10214	7.7
250.10962	9.9
251.08163	4.0
251.11774	25.1
252.12469	5.9
253.09685	6.0
253.13396	13.4
254.10443	15.6
255.11308	2.6
262.11139	3.0
263.11774	22.9
264.08817	1.3
264.09915	1.4
264.12503	9.2
265.09760	10.5
265.13354	21.6
266.10416	5.1
266.13968	3.1
267.11227	12.7
268.11868	3.1
269.12866	3.2
271.10812	4.0
271.14349	2.5
277.09933	3.9
278.10489	5.6
279.11340	22.6
280.11816	6.4
281.12866	17.5
282.10110	2.9
283.10791	8.7
283.14215	3.3
284.11530	6.3
285.12344	26.1
286.13126	2.3
289.15543	2.3
291.11169	7.2
292.12103	3.0
293.12912	8.9
295.10739	5.2
296.11621	6.5
297.12375	26.0
298.12952	2.2
299.13867	19.1
307.10730	1.9
309.12338	60.2
310.13037	6.9
311.10358	1.7
311.13849	23.6
312.14850	1.8
313.11771	3.4
315.19543	2.0
316.19928	3.1
319.10764	4.3
321.12244	9.6
323.10229	5.2
324.11090	2.8
325.11832	8.7
327.13400	98.1
328.13736	3.8
331.18872	2.0
333.20477	4.6
334.20868	9.2
337.11838	28.2
338.12543	6.9
339.13330	11.2
341.14975	8.1
343.13165	2.0
351.14310	1.9
357.14465	11.2
358.14896	5.3
359.16025	19.0
367.12802	2.6
369.14441	47.4
370.15042	5.5
371.16022	37.3
371.20419	3.0
372.16812	2.4
373.14096	2.0
402.18240	3.7
404.19662	6.5
416.19666	5.0
418.17313	2.4
430.17740	8.5
432.19302	14.4
442.17877	2.3
446.20560	3.1
448.18616	35.9
449.19312	12.3
450.20276	8.0
460.18707	47.7
461.19275	2.7
462.20395	4.3
470.76074	1.7
474.20068	7.5
476.18021	4.5
477.18576	2.1
478.19760	5.7
480.21335	58.6
481.21365	3.9
485.26663	2.1
490.19742	17.5
491.20285	5.2
492.21274	100.0
493.21613	5.4
521.21002	4.7
522.21838	20.1
523.23041	9.9
524.23260	11.4
595.25525	7.6
613.26532	39.3
614.26563	1.7
627.26843	3.3
645.28485	6.1
664.84302	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11451	1.6
53.03931	2.6
67.05507	9.9
69.03419	5.4
69.07056	3.5
71.60059	2.4
75.53515	1.6
78.46914	1.4
79.05492	5.6
81.03407	5.2
81.07057	4.4
82.06596	1.9
82.10812	1.5
83.04980	2.9
83.08617	1.7
85.02898	3.7
91.05482	7.1
93.07043	12.6
94.06577	13.6
94.07167	1.6
94.07319	1.2
95.04980	4.1
95.07350	7.9
95.08625	7.1
96.08140	16.9
97.02888	6.2
97.06545	4.1
99.04496	1.7
103.05524	2.0
105.07031	6.7
106.06577	1.7
107.07449	1.6
107.08604	6.5
108.04496	2.2
108.08122	16.6
109.02883	16.9
109.06492	4.4
109.10172	4.7
110.09682	34.0
111.04448	3.3
111.08080	1.6
113.68050	1.5
113.77147	1.6
119.08585	9.6
120.08104	20.5
120.41721	1.4
121.06468	2.0
121.10146	4.1
122.06027	13.3
124.07616	3.2
125.09637	10.5
127.03891	11.2
129.07004	1.8
133.10158	8.8
134.06010	4.0
135.11700	3.6
136.07584	15.7
137.06020	1.6
138.09137	36.5
143.08557	2.7
145.02873	3.2
145.10100	3.2
146.06023	3.1
147.08064	4.9
147.11697	2.6
148.07556	10.3
150.09116	4.2
152.07071	10.3
152.10776	1.6
160.03918	8.7
160.07564	1.9
161.09619	5.3
163.03894	2.4
164.07053	6.3
165.09123	4.8
166.08636	46.9
167.07045	5.9
169.10304	1.6
172.03908	4.8
173.13309	1.8
174.09235	1.8
177.05443	2.8
178.05017	4.6
179.10722	3.1
189.09102	3.2
190.04958	4.8
194.09773	1.7
199.08740	2.7
201.16225	2.2
204.06616	10.2
207.10187	2.6
210.11391	2.0
211.08771	3.9
211.12288	4.0
212.13148	1.6
213.06721	1.5
213.10089	3.5
221.10788	2.9
222.11411	3.0
223.08662	4.4
223.12207	2.8
225.09966	14.1
225.13820	3.7
226.11021	10.5
227.11780	6.3
233.08099	1.6
235.08687	3.5
236.09366	1.8
237.10249	10.3
237.13971	3.5
238.11040	8.1
239.08183	7.3
239.11772	19.7
240.12540	4.9
243.03331	1.6
247.16853	2.0
248.09644	4.9
249.10214	7.7
250.10962	9.9
251.08163	4.0
251.11774	25.1
252.12469	5.9
253.09685	6.0
253.13396	13.4
254.10443	15.6
255.11308	2.6
262.11139	3.0
263.11774	22.9
264.08817	1.3
264.09915	1.4
264.12503	9.2
265.09760	10.5
265.13354	21.6
266.10416	5.1
266.13968	3.1
267.11227	12.7
268.11868	3.1
269.12866	3.2
271.10812	4.0
271.14349	2.5
277.09933	3.9
278.10489	5.6
279.11340	22.6
280.11816	6.4
281.12866	17.5
282.10110	2.9
283.10791	8.7
283.14215	3.3
284.11530	6.3
285.12344	26.1
286.13126	2.3
289.15543	2.3
291.11169	7.2
292.12103	3.0
293.12912	8.9
295.10739	5.2
296.11621	6.5
297.12375	26.0
298.12952	2.2
299.13867	19.1
307.10730	1.9
309.12338	60.2
310.13037	6.9
311.10358	1.7
311.13849	23.6
312.14850	1.8
313.11771	3.4
315.19543	2.0
316.19928	3.1
319.10764	4.3
321.12244	9.6
323.10229	5.2
324.11090	2.8
325.11832	8.7
327.13400	98.1
328.13736	3.8
331.18872	2.0
333.20477	4.6
334.20868	9.2
337.11838	28.2
338.12543	6.9
339.13330	11.2
341.14975	8.1
343.13165	2.0
351.14310	1.9
357.14465	11.2
358.14896	5.3
359.16025	19.0
367.12802	2.6
369.14441	47.4
370.15042	5.5
371.16022	37.3
371.20419	3.0
372.16812	2.4
373.14096	2.0
402.18240	3.7
404.19662	6.5
416.19666	5.0
418.17313	2.4
430.17740	8.5
432.19302	14.4
442.17877	2.3
446.20560	3.1
448.18616	35.9
449.19312	12.3
450.20276	8.0
460.18707	47.7
461.19275	2.7
462.20395	4.3
470.76074	1.7
474.20068	7.5
476.18021	4.5
477.18576	2.1
478.19760	5.7
480.21335	58.6
481.21365	3.9
485.26663	2.1
490.19742	17.5
491.20285	5.2
492.21274	100.0
493.21613	5.4
521.21002	4.7
522.21838	20.1
523.23041	9.9
524.23260	11.4
595.25525	7.6
613.26532	39.3
614.26563	1.7
627.26843	3.3
645.28485	6.1
664.84302	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
51.57637	0.5
53.03939	4.6
55.01866	1.5
55.02139	0.5
55.05505	1.8
56.77694	0.5
57.03436	0.8
59.04979	0.6
61.66644	0.5
65.03943	1.8
67.05502	3.0
69.03436	7.6
69.07060	1.6
71.04993	2.3
79.05491	4.2
79.64536	0.6
81.03423	17.4
81.07063	8.2
83.01324	0.6
83.04980	1.8
83.08640	0.7
85.02911	2.1
85.06535	0.6
91.05489	7.3
93.06470	0.8
93.07049	9.9
95.04977	2.3
95.08610	5.7
97.02898	15.6
97.06516	1.6
99.04452	3.9
103.05490	0.7
105.07035	13.9
107.04957	1.3
107.08594	11.6
109.02886	100.0
109.06529	5.5
109.10163	3.9
111.04442	4.7
111.08086	3.5
113.06017	1.6
115.03955	1.0
115.05493	0.6
117.07007	1.2
119.08591	28.3
121.02875	42.5
121.06501	3.0
121.10158	11.1
123.04480	0.6
123.08078	8.1
123.11754	2.6
124.08852	0.8
125.06002	1.2
125.09637	66.1
126.09969	0.9
127.03924	61.7
128.04231	0.8
128.06203	0.6
129.06993	1.3
130.07719	0.8
131.08577	1.9
133.06506	1.7
133.10136	25.5
135.08046	0.8
135.11700	4.4
137.05963	1.2
137.09616	3.8
143.08562	5.3
145.04976	7.4
145.06506	0.9
145.10170	2.8
146.07298	0.7
147.08046	14.7
149.09604	0.7
151.07547	1.5
151.11212	3.4
153.01880	1.8
155.08633	0.5
157.10197	1.0
159.08104	0.7
159.11691	1.5
161.08295	1.1
161.09630	17.5
161.13266	0.7
163.07570	0.9
163.11208	3.0
165.09128	19.1
165.77126	0.5
167.07001	0.9
169.10135	0.8
171.11743	1.4
173.09628	0.9
173.13277	1.1
175.11304	0.8
179.10683	13.5
183.11761	0.8
185.09613	0.5
185.13165	0.7
189.09113	13.1
189.10727	1.0
197.13336	0.8
199.11320	0.6
207.10178	20.6
225.11226	41.6
226.11530	0.8
242.97191	0.5
247.06119	0.7
253.16061	0.6
267.12369	4.5
267.17416	0.7
269.11868	0.7
271.16934	1.5
285.18491	1.7
287.05530	37.5
288.06000	0.9
289.17953	2.6
295.17163	0.9
303.19495	0.7
313.18021	3.3
315.12305	1.4
331.19055	11.8
333.13333	5.2
349.20111	7.5
351.14386	6.3
367.21237	1.1
391.21179	6.2
411.21939	0.7
421.21939	1.2
439.21228	1.1
457.22229	11.1
475.23251	8.9
493.24347	0.7
613.27045	0.8
645.26160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01878	1.7
55.05515	1.1
56.96576	0.5
57.03420	0.9
65.03932	0.6
67.05505	2.4
69.03425	7.3
69.07067	1.7
71.05004	2.0
71.32040	0.9
79.05491	3.7
80.91642	0.4
81.03421	16.8
81.07059	7.8
83.01347	0.9
83.04983	1.6
83.08640	0.8
85.02910	1.7
85.06532	0.6
91.05476	6.8
93.07048	9.8
95.04971	2.3
95.08617	6.7
97.02895	17.2
97.06537	1.3
98.97517	0.6
99.04456	2.7
103.05446	0.7
105.06380	0.9
105.07040	13.1
107.04964	1.4
107.08595	11.9
107.09297	0.9
109.02883	100.0
109.06525	5.0
109.10171	3.0
110.03194	0.5
110.07140	0.5
111.04462	2.3
111.08086	4.2
113.06006	1.2
115.03947	0.7
117.07029	1.6
119.04962	0.8
119.08585	27.9
121.06510	2.5
121.10149	10.4
123.04439	0.7
123.08080	8.4
123.11720	3.4
124.08844	0.8
125.09634	63.5
126.09966	0.9
127.03920	60.2
128.06242	0.9
129.06992	0.6
131.04913	0.6
131.08620	1.1
133.06499	1.8
133.10132	22.6
134.10468	0.6
135.04401	0.6
135.08060	1.2
135.11710	3.8
137.05971	1.9
137.09642	3.6
139.07594	0.5
143.08571	4.3
144.18916	0.5
145.02884	0.5
145.04964	6.9
145.06485	1.0
145.10135	2.1
147.04419	1.1
147.08054	13.9
147.09221	0.8
147.11722	0.6
148.91620	0.5
149.02112	0.5
149.05960	1.2
149.09578	1.0
151.07552	2.2
151.11198	3.2
155.08569	0.6
157.10124	0.8
159.11719	1.2
161.06029	0.8
161.09627	13.8
163.03951	2.3
163.07527	1.2
163.11179	2.6
165.09119	17.5
167.07057	5.0
167.10632	0.5
169.10097	0.9
171.08063	1.1
171.11746	0.5
173.09605	0.5
175.11168	1.0
177.05606	0.5
179.10664	14.0
181.04994	1.1
183.11752	0.6
184.86658	0.5
185.13280	0.5
187.14769	0.5
189.09108	13.0
191.07042	0.5
193.08643	0.8
204.52086	0.6
207.08209	1.0
207.10168	19.2
208.10612	0.7
225.11220	40.0
226.11630	0.8
233.11691	0.6
249.11221	0.6
253.15939	0.7
259.09793	0.7
266.13824	0.5
267.12268	3.6
271.17001	1.5
278.01932	0.5
285.18433	1.4
289.17957	2.2
295.16663	0.6
303.19565	0.8
313.17969	2.2
315.12207	2.1
331.19055	12.5
333.13403	5.5
343.95392	0.5
349.20096	10.4
351.14398	6.5
367.21005	0.9
369.15567	0.6
391.21143	6.4
417.15170	0.7
421.22375	2.8
422.14957	0.6
423.14969	0.9
439.20978	1.7
452.17935	0.5
457.22189	15.0
458.22748	0.6
475.23291	12.3
493.24219	1.5
645.27972	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	645.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78056	0.8
51.02384	1.2
53.03944	4.6
53.89552	0.8
55.01869	3.5
55.05259	0.9
55.05507	4.4
57.03438	1.8
65.03925	1.3
67.01866	6.2
67.05504	15.3
68.99776	1.8
69.03433	12.1
69.07069	4.7
71.05009	4.7
71.58289	1.6
73.02921	1.2
79.05498	13.7
81.02979	1.2
81.03427	19.1
81.07066	17.7
83.01327	1.5
83.04987	7.2
83.08614	2.2
84.00929	0.9
85.02906	10.4
91.04957	1.6
91.05487	18.5
93.07046	24.1
95.04961	6.8
95.08611	21.2
97.02904	18.2
97.06532	7.0
99.04459	5.8
105.03376	1.3
105.07035	37.6
107.04962	7.6
107.08600	31.5
108.08923	1.6
109.02888	36.8
109.06509	8.3
109.10156	29.8
110.03156	1.1
111.04443	21.2
111.08075	3.2
115.03832	0.9
115.05451	1.3
117.07037	5.8
119.04970	1.6
119.08584	48.5
120.04479	2.3
120.08925	1.1
121.02837	3.7
121.06529	7.8
121.10146	14.1
123.04430	10.8
123.08074	8.0
123.11679	4.6
125.05993	2.1
125.09618	3.4
127.03923	72.8
128.04269	1.2
128.06203	2.7
129.07021	6.1
130.07852	1.2
131.08568	7.8
133.06508	21.2
133.10141	33.7
134.06001	1.1
135.08069	16.9
135.11688	8.7
137.05989	2.9
137.09604	7.2
139.03879	0.9
139.07591	1.6
141.06998	2.6
142.07819	4.8
143.08559	13.8
145.04977	5.6
145.06482	3.4
145.10129	14.2
147.04425	1.2
147.08060	20.2
147.11688	5.6
149.06001	1.8
149.09602	7.9
150.09160	2.0
151.03912	28.2
151.07536	1.0
151.11168	4.7
151.22363	0.9
152.07158	1.4
153.07031	1.5
155.08553	3.4
156.09390	2.8
157.06514	1.8
157.10150	11.6
159.08049	3.6
159.11708	8.5
161.05972	1.2
161.09639	26.2
161.13254	1.7
163.03912	3.0
163.07507	2.4
163.11177	13.9
165.06975	1.6
165.09117	23.2
166.07768	3.8
166.09242	1.1
167.07079	2.2
169.04974	100.0
169.10075	5.4
170.05350	2.0
170.10971	1.3
171.08058	3.0
171.11691	13.0
173.09618	4.2
173.13318	5.0
175.07571	1.9
175.11208	3.6
179.10692	13.8
181.10120	8.8
183.11703	3.1
185.09616	12.6
185.13266	3.5
187.11171	4.3
187.14790	2.4
189.05534	1.3
189.09134	18.3
189.12764	3.1
191.10674	4.1
193.04985	7.3
195.11713	3.0
197.09673	1.3
197.13289	2.4
199.11194	28.9
199.14871	3.8
201.12756	2.1
203.10680	4.0
205.12289	2.1
207.10170	24.4
207.12041	1.4
208.10521	1.3
209.09793	1.6
209.11578	1.4
209.13303	2.7
211.05978	7.6
211.11270	1.5
211.14847	1.5
213.12823	3.9
215.10733	2.4
215.14342	1.1
217.04924	5.2
217.12234	14.5
219.13809	2.4
223.14850	1.3
225.11214	56.9
226.11543	1.7
227.17955	1.2
231.06494	1.2
231.13730	1.4
235.05998	9.0
235.13245	2.2
237.12759	2.0
237.16414	1.3
245.11684	1.2
249.11240	1.7
251.17950	3.1
253.15938	1.6
255.17432	2.9
259.06085	4.0
259.13287	2.0
260.09399	1.5
267.12259	8.1
269.19028	4.5
273.18460	1.4
277.07071	3.2
279.17459	1.8
287.16519	1.8
287.20023	2.8
294.01205	0.9
295.08151	1.0
295.16989	2.3
297.13290	1.5
297.18503	14.5
301.18112	1.1
313.18021	4.8
315.19583	34.7
315.36877	0.9
331.19009	2.9
333.13370	5.9
333.20645	2.4
341.20959	1.1
351.14493	3.2
351.19443	1.1
357.20468	6.2
369.20599	3.6
375.21713	2.5
393.20490	1.9
395.22659	1.3
405.20813	1.9
423.21762	6.3
441.22769	18.6
449.27615	1.0
459.23898	8.6
492.20786	1.5
561.41412	1.1
591.27368	3.0
646.31744	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	645.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11451	1.6
53.03931	2.6
67.05507	9.9
69.03419	5.4
69.07056	3.5
71.60059	2.4
75.53515	1.6
78.46914	1.4
79.05492	5.6
81.03407	5.2
81.07057	4.4
82.06596	1.9
82.10812	1.5
83.04980	2.9
83.08617	1.7
85.02898	3.7
91.05482	7.1
93.07043	12.6
94.06577	13.6
94.07167	1.6
94.07319	1.2
95.04980	4.1
95.07350	7.9
95.08625	7.1
96.08140	16.9
97.02888	6.2
97.06545	4.1
99.04496	1.7
103.05524	2.0
105.07031	6.7
106.06577	1.7
107.07449	1.6
107.08604	6.5
108.04496	2.2
108.08122	16.6
109.02883	16.9
109.06492	4.4
109.10172	4.7
110.09682	34.0
111.04448	3.3
111.08080	1.6
113.68050	1.5
113.77147	1.6
119.08585	9.6
120.08104	20.5
120.41721	1.4
121.06468	2.0
121.10146	4.1
122.06027	13.3
124.07616	3.2
125.09637	10.5
127.03891	11.2
129.07004	1.8
133.10158	8.8
134.06010	4.0
135.11700	3.6
136.07584	15.7
137.06020	1.6
138.09137	36.5
143.08557	2.7
145.02873	3.2
145.10100	3.2
146.06023	3.1
147.08064	4.9
147.11697	2.6
148.07556	10.3
150.09116	4.2
152.07071	10.3
152.10776	1.6
160.03918	8.7
160.07564	1.9
161.09619	5.3
163.03894	2.4
164.07053	6.3
165.09123	4.8
166.08636	46.9
167.07045	5.9
169.10304	1.6
172.03908	4.8
173.13309	1.8
174.09235	1.8
177.05443	2.8
178.05017	4.6
179.10722	3.1
189.09102	3.2
190.04958	4.8
194.09773	1.7
199.08740	2.7
201.16225	2.2
204.06616	10.2
207.10187	2.6
210.11391	2.0
211.08771	3.9
211.12288	4.0
212.13148	1.6
213.06721	1.5
213.10089	3.5
221.10788	2.9
222.11411	3.0
223.08662	4.4
223.12207	2.8
225.09966	14.1
225.13820	3.7
226.11021	10.5
227.11780	6.3
233.08099	1.6
235.08687	3.5
236.09366	1.8
237.10249	10.3
237.13971	3.5
238.11040	8.1
239.08183	7.3
239.11772	19.7
240.12540	4.9
243.03331	1.6
247.16853	2.0
248.09644	4.9
249.10214	7.7
250.10962	9.9
251.08163	4.0
251.11774	25.1
252.12469	5.9
253.09685	6.0
253.13396	13.4
254.10443	15.6
255.11308	2.6
262.11139	3.0
263.11774	22.9
264.08817	1.3
264.09915	1.4
264.12503	9.2
265.09760	10.5
265.13354	21.6
266.10416	5.1
266.13968	3.1
267.11227	12.7
268.11868	3.1
269.12866	3.2
271.10812	4.0
271.14349	2.5
277.09933	3.9
278.10489	5.6
279.11340	22.6
280.11816	6.4
281.12866	17.5
282.10110	2.9
283.10791	8.7
283.14215	3.3
284.11530	6.3
285.12344	26.1
286.13126	2.3
289.15543	2.3
291.11169	7.2
292.12103	3.0
293.12912	8.9
295.10739	5.2
296.11621	6.5
297.12375	26.0
298.12952	2.2
299.13867	19.1
307.10730	1.9
309.12338	60.2
310.13037	6.9
311.10358	1.7
311.13849	23.6
312.14850	1.8
313.11771	3.4
315.19543	2.0
316.19928	3.1
319.10764	4.3
321.12244	9.6
323.10229	5.2
324.11090	2.8
325.11832	8.7
327.13400	98.1
328.13736	3.8
331.18872	2.0
333.20477	4.6
334.20868	9.2
337.11838	28.2
338.12543	6.9
339.13330	11.2
341.14975	8.1
343.13165	2.0
351.14310	1.9
357.14465	11.2
358.14896	5.3
359.16025	19.0
367.12802	2.6
369.14441	47.4
370.15042	5.5
371.16022	37.3
371.20419	3.0
372.16812	2.4
373.14096	2.0
402.18240	3.7
404.19662	6.5
416.19666	5.0
418.17313	2.4
430.17740	8.5
432.19302	14.4
442.17877	2.3
446.20560	3.1
448.18616	35.9
449.19312	12.3
450.20276	8.0
460.18707	47.7
461.19275	2.7
462.20395	4.3
470.76074	1.7
474.20068	7.5
476.18021	4.5
477.18576	2.1
478.19760	5.7
480.21335	58.6
481.21365	3.9
485.26663	2.1
490.19742	17.5
491.20285	5.2
492.21274	100.0
493.21613	5.4
521.21002	4.7
522.21838	20.1
523.23041	9.9
524.23260	11.4
595.25525	7.6
613.26532	39.3
614.26563	1.7
627.26843	3.3
645.28485	6.1
664.84302	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05499	0.6
57.03442	1.2
59.05004	15.7
60.04515	0.2
65.03930	0.5
67.05486	0.8
69.03433	4.2
69.07077	1.6
69.54833	1.8
71.04979	0.2
73.02916	0.2
75.04481	0.3
79.05479	0.7
80.43468	0.2
81.03375	0.2
81.07055	1.1
83.04977	0.5
83.08602	0.7
85.02903	2.8
87.03988	0.3
87.04466	2.7
91.05476	2.9
93.07037	1.0
95.04970	0.5
95.08585	0.8
97.02894	3.3
97.06519	0.2
98.55569	0.2
103.05460	0.9
103.72583	0.2
104.78959	0.2
105.07033	9.2
107.04908	0.3
107.08607	1.1
109.10139	0.8
111.04449	2.5
111.08139	0.3
115.03938	2.6
117.07052	1.2
119.08577	1.7
120.08821	0.2
121.06494	0.3
121.10128	0.7
123.04488	0.3
123.11663	0.3
127.03909	0.2
128.06248	0.4
129.07022	1.2
131.04898	0.7
131.08575	5.1
133.04990	2.2
133.06476	0.4
133.10126	0.7
135.04422	0.3
135.08035	2.6
135.11710	0.3
137.05968	0.6
141.07014	1.1
142.07771	0.8
143.08571	3.1
145.04953	0.2
145.06453	0.4
145.10114	3.8
147.11665	0.5
148.05177	0.3
149.09618	0.5
150.07619	0.5
151.07550	0.3
152.04784	0.2
153.06984	0.3
155.08556	7.9
156.09314	0.7
157.10132	8.8
159.08089	0.3
159.11696	10.8
161.06035	0.3
161.09564	0.4
161.13245	1.0
163.03926	0.3
163.07527	0.6
163.14812	0.3
165.07027	0.4
165.09195	0.4
166.07794	0.3
167.07037	2.6
167.08543	1.0
168.07387	0.7
168.09061	0.2
169.10150	2.2
170.10852	0.4
171.08028	0.6
171.11693	6.2
173.06035	0.5
173.13257	1.7
175.07655	0.2
175.11241	0.2
175.14819	0.8
177.05479	0.3
179.08572	0.9
180.09293	0.4
181.04947	2.8
181.10141	3.3
182.05330	1.2
182.10893	0.6
183.08038	0.8
183.11716	2.3
184.12447	0.3
185.09636	0.5
185.13290	2.4
187.11230	0.4
187.14842	0.6
189.09039	0.2
191.07043	2.4
191.08635	0.4
191.10732	0.3
192.07368	1.3
193.10127	1.0
194.10875	0.3
195.11732	4.0
196.12529	1.0
197.09604	0.9
197.13245	2.1
199.11176	0.7
199.14810	0.7
203.14282	0.5
205.10236	0.3
205.15810	0.6
206.09048	0.2
206.10834	0.3
207.11691	0.6
209.09677	0.6
209.13284	3.2
209.15134	0.4
211.11226	0.7
211.14824	8.8
213.16386	9.7
217.12242	0.2
219.11809	0.4
220.12413	0.4
221.13202	2.1
222.14011	0.4
223.11203	0.7
223.14783	0.6
225.12766	0.4
225.16344	0.5
227.17961	4.1
231.11638	0.2
233.07965	0.3
235.14824	2.8
237.12715	0.4
237.16389	7.9
239.14333	2.1
246.14104	0.2
250.06303	0.2
251.17929	1.6
253.15880	1.8
255.17456	10.7
256.17920	0.2
257.15372	2.6
261.16382	2.3
263.09256	0.3
269.19028	0.4
271.16846	0.3
273.18454	2.0
279.17438	4.5
297.18509	5.4
315.19556	100.0
316.19852	1.5
333.20560	3.7
385.12683	0.3
386.13245	0.4
495.25903	0.8
644.23846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01886	1.1
55.02101	0.2
55.05272	0.4
55.05513	3.7
55.05773	0.2
56.08475	0.2
57.03187	0.3
57.03440	4.4
57.07067	0.3
59.04982	0.3
60.83695	0.2
61.02928	5.4
65.03931	0.3
66.80740	0.2
67.05175	0.4
67.05507	5.8
69.03428	2.5
69.07072	2.1
70.06588	0.5
71.01360	0.3
71.04992	1.4
71.60233	0.3
72.08147	0.3
73.02921	2.1
79.05063	0.4
79.05497	5.6
81.03422	24.0
81.07060	8.1
81.73001	0.2
82.03714	0.2
82.07410	0.3
83.04497	0.2
83.04984	4.0
83.08621	9.3
84.04515	0.3
85.02908	14.6
85.06522	0.7
85.88333	0.2
86.09706	0.4
87.04451	0.3
91.03964	4.6
91.05482	8.2
92.05836	0.3
93.07053	4.3
95.04976	8.6
95.08617	3.6
97.02895	5.4
97.06533	1.5
97.10179	1.3
99.04439	0.6
99.08077	0.7
103.03944	0.3
103.05392	0.2
105.07037	6.4
107.04954	2.2
107.08598	2.0
109.02883	0.6
109.06522	1.6
109.10138	0.9
111.04439	1.3
111.08087	4.6
113.05993	0.8
115.03955	0.4
115.05441	0.6
117.07030	0.5
119.04926	0.8
119.08583	6.4
121.06499	0.8
121.10139	3.0
123.08038	0.8
123.11674	0.6
123.12503	0.3
125.09587	0.4
127.03916	2.5
129.07021	3.4
131.08571	4.2
133.06531	1.1
133.10135	4.3
136.07549	0.2
137.05972	0.6
137.09576	0.7
141.93193	0.2
142.07767	0.8
145.04939	2.2
145.10136	0.6
147.04404	0.8
147.08083	1.1
147.11700	6.9
149.09615	2.8
151.07568	0.2
151.11180	0.3
157.10135	5.8
158.10493	0.3
161.05879	0.3
163.02292	0.2
163.06035	3.2
163.07411	0.4
163.11140	0.4
165.12793	1.0
171.06812	0.3
175.11197	7.0
177.05496	0.5
181.04900	0.3
186.73482	0.3
193.12254	22.3
194.12605	0.3
211.13309	16.8
212.13762	0.2
229.14285	0.3
249.14879	0.3
252.09389	0.4
267.15942	6.5
285.16974	100.0
286.17331	2.7
333.12021	0.8
393.19156	0.3
409.00449	0.2
411.20242	0.5
429.21118	1.8
447.22256	3.5
494.36166	0.3
558.44128	0.2
609.26447	0.3
644.23206	0.3
645.26764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01855	2.3
55.05502	2.4
56.96560	1.9
57.03436	1.2
59.05016	1.1
59.50699	0.7
64.01299	0.9
65.03939	2.0
67.05502	4.6
69.03429	10.5
69.07062	2.2
70.78882	2.5
71.04996	2.2
71.36716	0.8
73.02912	0.9
77.03896	0.8
79.05497	7.5
80.02661	1.6
81.03419	24.6
81.07063	12.2
83.01325	2.1
83.04973	1.6
83.08602	1.4
84.96052	1.3
85.02905	3.9
91.05482	11.4
92.05006	3.5
93.07038	15.0
95.04970	3.1
95.08602	10.3
97.02893	18.9
99.04448	3.5
103.05478	1.6
105.03425	0.9
105.07030	17.8
105.07684	0.7
106.06558	2.8
107.04939	2.4
107.08599	17.9
109.02880	70.3
109.06518	8.6
109.10176	4.7
111.04444	3.1
111.08073	5.3
115.03996	0.9
116.05044	1.4
117.07005	1.9
119.07693	1.2
119.08580	41.6
120.04469	73.8
121.04810	1.0
121.06499	3.6
121.10148	13.6
123.04417	1.0
123.08051	11.7
123.11719	4.1
125.09631	77.8
127.03918	100.0
128.04184	0.9
128.06239	1.8
129.07004	1.6
130.02924	1.1
130.06549	1.5
131.08568	2.6
132.04448	23.2
133.05269	1.9
133.06485	1.7
133.07426	0.8
133.09099	1.4
133.10126	30.6
134.06013	31.0
135.04376	0.8
135.11719	4.4
137.06015	2.4
137.09601	4.9
143.08591	5.6
144.04495	1.1
144.08112	2.1
145.04974	5.5
145.06479	2.4
145.10107	2.7
146.02359	9.8
146.06010	2.2
147.04367	0.8
147.08038	17.8
147.11681	1.1
148.03911	1.0
149.09653	1.6
150.05507	2.1
151.07579	2.0
151.11197	3.9
152.07077	21.9
154.06519	7.5
156.08090	1.6
157.10156	1.7
158.05965	4.1
159.11713	1.4
160.03972	1.0
161.09616	22.1
162.05499	27.9
162.81453	0.8
163.03911	3.1
163.07584	1.9
163.11212	3.1
164.06996	0.8
164.40947	0.8
165.09113	24.4
167.07037	1.0
170.06015	2.4
171.07954	1.2
171.11623	1.1
172.07571	6.7
174.05533	2.8
175.11156	1.9
179.10675	18.9
179.12180	1.6
180.06537	3.3
182.06027	23.8
183.06802	4.3
184.07524	3.8
186.05508	12.3
187.11177	0.9
189.09113	18.5
190.09482	0.9
194.08116	24.3
198.05460	2.5
199.06279	2.9
200.07071	12.2
207.10164	23.4
210.05501	83.4
211.02853	0.8
211.06230	11.1
212.07034	2.5
214.08611	3.0
218.08168	8.2
219.13799	1.3
224.07014	1.2
225.11217	49.7
226.11487	0.9
227.05745	1.6
228.06557	28.8
237.00818	2.2
242.08121	34.4
243.08998	1.7
246.07635	3.5
249.11276	2.4
253.15819	0.9
255.01746	5.3
260.09195	31.2
267.12283	11.7
271.16876	2.0
273.02710	6.3
285.18457	1.8
289.18054	2.8
313.18011	1.4
315.12219	1.8
323.04358	0.9
331.19040	11.3
333.13434	4.9
338.13693	1.2
349.20065	9.0
351.14404	6.8
370.16632	4.4
391.21136	9.8
421.22302	1.8
425.21423	2.2
434.16266	1.7
439.20810	2.1
457.22238	15.1
457.59332	1.0
475.23251	8.8
493.24292	1.8
517.17828	1.3
535.18488	6.0
558.25177	11.1
576.25885	4.9
577.19366	2.7
590.27460	55.3
591.27466	2.8
594.26746	2.9
603.17511	1.2
608.28510	15.2
612.27374	1.9
626.29584	14.5
644.30566	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	644.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.3
53.03944	3.7
55.01862	1.8
55.05499	2.2
56.96568	1.2
65.03940	2.9
67.05511	4.5
69.03434	11.5
69.07057	2.5
69.49361	5.9
71.04996	2.9
76.03143	0.9
77.03938	0.9
79.01865	0.9
79.05493	7.0
79.56282	0.7
80.02622	1.6
81.03419	23.0
81.07063	10.5
83.01313	1.1
83.04975	2.6
83.08601	1.5
85.02911	5.3
89.03924	0.8
91.05481	11.5
92.04990	4.1
93.07049	13.1
95.04971	4.2
95.08611	9.4
97.02894	20.6
97.06537	1.1
99.04443	3.7
103.03941	0.8
103.05429	0.7
104.04934	0.8
105.03389	1.2
105.06374	1.3
105.07037	16.7
106.06563	2.9
107.04948	2.0
107.08599	16.9
109.02885	73.0
109.06534	7.3
109.10162	5.6
111.04460	2.8
111.08087	5.7
113.06009	1.2
117.07049	1.9
119.04947	1.2
119.08587	38.9
120.04471	71.3
121.06498	3.4
121.10146	13.5
123.04399	1.0
123.08064	11.9
123.11712	3.2
124.08847	0.9
125.09633	73.6
127.03921	100.0
128.06241	1.2
129.07013	1.1
130.02878	2.1
130.06552	2.0
130.07767	1.1
131.08580	2.7
132.04449	21.1
133.05237	2.5
133.06508	1.8
133.10133	36.1
134.06020	34.3
135.06339	0.9
135.08075	2.0
135.11639	3.5
137.05978	1.5
137.09610	4.7
139.07587	0.9
140.59927	0.8
143.08556	6.1
144.04483	1.7
144.08073	1.4
145.04979	6.5
145.06482	2.9
145.10089	4.9
146.02367	9.6
146.06023	2.4
146.07159	0.7
147.08054	18.7
149.09608	1.1
150.05508	3.6
151.06337	1.0
151.07549	2.7
151.11185	4.3
152.07068	21.8
154.06528	8.2
155.06119	0.9
155.07271	1.1
155.08575	1.0
156.08092	1.3
158.06033	3.1
159.11697	2.3
161.09625	23.5
162.05505	27.6
163.03922	3.2
163.07550	1.0
163.11195	2.4
164.07097	1.2
165.09122	24.4
165.10510	1.4
167.07233	1.2
169.10162	0.7
170.06015	2.4
171.08023	1.2
171.11749	0.8
172.07562	5.9
173.09668	1.3
173.13313	1.2
174.05547	2.2
175.11145	1.2
175.14793	0.7
176.07207	1.1
177.08965	0.7
179.10695	17.2
179.12172	1.2
180.06595	3.1
180.11273	0.7
181.12315	0.8
182.06023	24.8
183.06789	4.7
184.07574	3.1
185.13315	0.9
186.05498	15.1
187.14738	1.4
189.09108	19.3
194.08145	24.4
198.05594	2.9
199.06290	4.2
200.07082	14.3
203.10622	1.7
204.06670	1.4
207.10173	25.7
210.05511	82.7
211.03021	0.8
211.06284	12.0
212.07106	3.4
214.08659	2.6
218.08157	9.2
224.07217	0.8
225.11221	46.3
227.05847	1.3
228.06572	26.8
229.06952	0.8
229.15959	0.9
232.09677	1.0
237.00748	1.9
242.08121	28.4
243.08765	1.1
246.07660	6.0
249.11235	2.2
253.15816	1.3
255.01753	4.2
259.08502	1.1
260.09195	29.9
267.12253	11.5
271.16946	1.5
273.02829	6.0
285.18509	1.7
289.17987	2.1
295.17078	1.1
301.09415	1.0
303.19589	1.0
313.18018	2.8
315.12421	1.7
323.04395	1.0
331.19089	14.8
333.13315	5.2
334.14270	1.0
338.13913	2.0
349.20087	9.2
351.14365	5.6
356.15009	1.1
367.21069	1.2
370.16556	4.9
391.21167	11.9
409.22379	1.0
421.21802	1.6
425.21576	2.6
434.16113	1.6
439.21097	2.7
451.23129	1.4
457.22198	14.6
470.18149	1.0
475.23450	8.1
493.24710	0.9
535.18652	4.8
558.25146	10.1
576.25854	3.9
577.19128	3.5
590.27509	58.0
591.27850	1.6
594.26794	3.1
600.20093	0.8
603.17328	1.4
608.28613	14.5
612.27863	2.0
626.29614	12.3
644.30872	3.6
645.32373	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.3
53.03939	2.7
55.01865	4.3
55.05260	2.2
55.05509	31.0
57.03428	3.2
57.07065	2.5
65.03933	3.7
67.05502	90.9
69.03428	1.9
69.07066	30.4
69.27607	0.9
70.86034	3.3
71.04990	11.6
79.05488	61.8
79.36537	1.2
81.03416	2.2
81.07053	95.8
81.24306	1.0
83.04980	7.2
83.08617	15.6
85.02926	1.2
85.06538	9.7
91.04901	1.8
91.05474	37.1
93.07038	95.1
95.04975	8.3
95.08601	62.7
97.06512	9.6
97.10165	15.1
99.08080	10.5
103.05553	1.2
105.04442	1.1
105.07024	27.8
107.04967	1.6
107.08588	49.5
109.06514	4.4
109.10155	35.9
111.08083	4.5
111.11702	1.4
112.84416	1.2
113.09663	1.8
117.07014	10.1
119.08572	23.7
121.06461	1.3
121.10138	71.6
121.98889	1.1
123.08108	2.9
123.11700	11.9
125.09614	11.9
127.11192	1.2
129.06982	7.4
131.08560	17.5
133.10120	26.0
135.08081	3.1
135.11684	52.2
137.09604	5.7
137.13274	2.1
139.11169	9.2
143.08568	6.5
145.10123	18.5
147.08035	1.6
147.11681	18.1
149.09644	4.4
149.13260	15.2
151.11197	3.8
153.09160	1.7
153.12767	1.9
155.08559	1.6
155.10701	1.7
157.10129	5.0
159.11682	11.5
161.13242	11.8
163.11192	3.5
163.14822	3.0
165.12755	2.7
167.10660	2.2
171.11649	9.9
173.11731	3.8
173.13268	6.9
175.14824	5.9
177.12776	3.0
177.98865	1.0
179.14301	2.4
181.12225	3.6
183.11775	1.3
183.13789	2.3
185.11804	1.7
185.13179	6.9
187.13304	2.7
187.14809	1.3
189.11186	5.0
189.16516	1.7
193.15939	2.0
195.13861	3.6
199.14816	3.3
201.14862	2.8
203.12686	7.9
207.17487	1.6
209.15468	2.2
213.16441	1.9
221.15414	2.5
231.21098	1.9
235.16901	1.6
239.17973	1.8
241.19525	12.6
257.18985	2.7
259.20554	37.3
261.22232	2.8
275.20074	4.7
277.21616	100.0
277.96829	1.2
278.21930	1.6
293.21146	2.3
295.22668	50.4
313.23785	6.3
387.32553	1.7
399.32513	1.4
429.29645	1.8
431.31427	1.7
443.31268	1.7
447.30899	1.4
449.32648	3.1
461.32455	2.5
473.35947	2.3
517.40460	3.4
535.41388	12.0
553.42542	28.5
571.43524	20.5
589.44531	14.3
607.45331	7.1
625.46814	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01871	1.8
55.05508	3.5
65.03938	2.3
65.97538	1.4
67.05494	3.4
69.03425	10.4
69.07072	2.9
69.42074	6.4
69.42506	5.5
71.04992	2.4
79.05504	6.6
81.03422	20.1
81.07050	6.8
83.04973	3.7
83.56170	1.2
85.02899	4.1
91.05491	10.4
93.07035	14.0
95.04953	5.0
95.08614	7.8
96.08117	1.7
97.02882	19.7
97.06530	1.5
99.04444	3.9
103.05463	1.3
105.07030	16.9
107.04956	3.8
107.08595	17.4
109.02878	100.0
109.06497	9.7
109.10160	5.7
111.04472	6.8
111.08079	5.5
115.05441	2.0
117.03390	2.5
117.07058	2.0
119.04951	1.9
119.08573	33.5
120.08095	3.3
121.06526	4.3
121.10121	12.4
123.04401	2.3
123.08060	11.8
123.11700	3.5
125.05941	1.5
125.09628	65.6
126.69440	1.2
127.03917	63.2
129.07021	2.2
129.51147	1.3
131.08569	2.5
133.06494	3.8
133.10141	28.9
134.06009	6.2
135.04399	3.3
135.08054	3.4
135.11688	4.0
137.05959	5.4
137.09560	3.3
138.09137	3.4
139.07512	1.4
143.08557	5.1
145.02879	4.2
145.04959	8.1
145.06413	2.1
145.10184	3.3
147.04448	2.8
147.08054	16.0
147.11705	1.6
149.05978	1.4
149.09535	2.0
151.07567	3.4
151.11212	3.8
157.10010	1.5
159.11710	1.5
161.09618	21.5
163.03889	26.4
163.07559	2.5
163.11168	3.0
165.05353	1.5
165.09119	23.9
166.08597	4.0
167.07031	15.6
171.11632	2.2
173.05974	2.7
173.13329	1.7
177.05466	2.2
179.10669	19.9
181.04973	12.7
184.07454	2.0
185.09572	1.6
189.09113	17.5
191.07071	7.8
204.06546	4.7
205.08502	1.7
207.10161	22.2
215.14151	1.5
225.11221	40.8
239.11826	1.4
249.10579	1.4
250.11044	2.0
253.16544	1.4
261.82129	1.5
263.11923	2.5
267.12238	3.7
269.12790	2.5
271.16891	1.6
279.11322	2.9
287.13898	3.0
289.18137	1.7
303.04816	1.6
313.18018	2.3
331.19055	11.3
333.13278	6.3
337.11575	2.4
342.12341	2.3
349.20084	16.6
351.14420	9.3
353.12689	1.5
355.13135	1.6
357.14227	2.6
367.12872	2.4
367.21307	2.7
391.21213	11.5
398.14987	2.6
399.15479	3.1
416.16287	2.0
417.15381	4.8
421.15002	3.2
421.21844	3.2
439.21097	3.7
457.15741	2.0
457.22205	40.6
458.16748	3.2
475.23264	36.0
490.19757	3.3
493.24255	3.7
520.20703	12.9
521.21649	2.3
522.22607	9.0
569.23645	1.6
611.25018	11.1
643.26282	6.1
643.36920	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	643.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
57.03437	0.7
67.05508	3.4
70.65761	1.8
79.05489	1.3
81.07059	2.5
82.66173	0.7
82.89365	0.6
83.59707	0.6
84.60284	0.6
91.05493	1.0
93.07059	2.0
95.08617	1.5
98.21426	0.8
105.07032	1.3
109.10156	1.0
111.65165	0.7
114.81187	0.7
118.87872	0.6
119.08619	1.7
135.11664	0.7
172.97520	0.7
212.84290	0.6
212.98621	0.6
545.38452	2.9
592.40179	0.7
643.25281	100.0
644.25574	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	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01886	1.3
55.05529	1.4
58.47164	1.2
58.71406	1.2
60.85530	1.3
65.03922	1.5
67.05495	4.1
69.03412	2.5
69.07059	2.5
79.05492	3.2
81.03413	3.1
81.07044	5.1
84.09812	1.4
85.02908	3.2
91.05479	2.5
93.07036	4.0
94.06548	4.8
95.08580	2.7
96.08114	3.9
97.02902	4.2
97.06516	7.2
98.21651	2.7
103.05461	1.8
103.16702	1.5
105.07018	3.6
107.08579	2.7
108.08138	7.4
109.02851	2.9
109.10152	2.8
110.09683	8.3
111.04431	2.0
117.07003	2.1
119.08604	3.1
120.04441	3.6
120.08085	7.1
121.06503	2.3
121.10141	1.9
122.06033	5.3
124.07581	4.5
125.09614	1.6
127.03911	14.7
133.10123	1.9
134.06020	2.7
135.04384	2.3
136.07574	8.5
137.05981	1.8
138.09119	6.8
144.04451	3.5
145.02812	2.6
145.06487	2.1
145.10165	1.5
146.06006	4.7
147.04398	2.4
148.07564	2.7
150.05528	12.3
152.07088	1.8
157.10100	1.5
160.03986	2.4
162.05490	4.0
163.03935	9.3
166.08672	8.9
167.07008	6.3
168.06566	4.9
172.03944	21.4
173.05905	1.7
176.07043	3.4
177.05507	2.0
181.04962	5.5
190.05000	14.4
191.07086	1.7
197.10652	1.9
199.12389	2.2
204.06589	30.4
211.08759	1.7
212.09407	2.2
215.22964	1.3
225.10037	7.3
227.11806	11.8
236.09392	1.7
237.10179	2.9
238.11023	2.5
239.11859	2.7
241.09814	1.7
253.09781	5.7
255.11314	2.1
264.08871	3.0
265.09692	1.9
269.12833	13.8
271.05988	7.3
271.10672	9.1
273.12387	4.2
277.10123	1.8
279.11279	2.0
283.10727	5.0
284.11691	2.5
285.12314	5.3
287.13934	15.0
297.12314	7.2
299.13858	3.9
315.13379	2.2
315.19516	1.8
323.10187	7.1
325.11807	19.5
326.12534	1.7
327.13635	2.3
328.10800	2.4
328.14389	2.1
329.15176	2.5
330.16019	1.5
340.14554	1.8
341.11725	1.7
342.12332	6.3
343.13025	8.3
355.15448	1.6
356.14056	4.7
357.14410	8.1
358.15176	3.3
370.15512	3.5
382.12076	3.6
383.12567	2.8
384.13345	3.3
385.13699	1.9
386.18747	1.9
387.28677	1.6
390.18265	2.9
396.12369	1.5
398.15027	16.0
399.15726	21.2
404.16129	4.9
405.23212	1.5
414.18347	2.7
416.16132	17.8
417.16037	2.8
428.16220	1.7
430.17261	2.9
440.16040	3.4
446.17172	15.2
458.17099	32.7
459.17493	1.9
478.19504	2.1
489.18600	1.9
490.19592	9.4
555.97394	1.6
565.24756	2.2
567.26190	1.9
569.23730	5.8
583.25000	3.8
593.23981	9.3
611.25018	100.0
612.25146	5.3
626.28650	1.6
643.27356	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	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71511	0.4
59.02941	0.4
66.05145	0.5
67.05470	0.8
70.06673	2.4
81.07016	0.8
93.06989	0.4
95.08554	0.6
98.20798	0.6
105.07015	0.5
143.36703	0.4
285.66602	0.6
329.54013	0.5
397.13120	1.9
398.14081	1.1
399.14450	0.6
409.13095	0.7
410.13831	2.3
411.14569	5.1
412.15359	3.5
413.16037	2.2
414.16794	0.5
422.13773	0.6
423.14420	1.9
424.16168	2.7
425.16263	11.4
426.16901	8.5
427.17560	1.5
428.18665	1.3
436.11597	0.6
437.16309	0.7
438.12997	1.9
438.17429	1.5
439.13489	11.5
439.18967	0.8
440.13586	1.3
440.19321	4.8
441.19290	39.0
442.19659	3.5
451.18091	0.5
452.14288	3.6
453.15195	16.4
454.16046	6.5
455.16397	0.9
457.15173	1.2
458.15750	0.5
463.14233	0.8
465.15210	1.1
466.11661	0.5
467.17163	24.1
468.17883	16.1
469.18735	12.7
470.19101	1.0
471.16833	1.4
472.17606	0.7
480.17120	0.5
481.14719	13.2
482.15326	4.2
485.18274	1.3
486.19165	0.8
494.16461	0.7
495.16055	2.9
496.17242	11.8
497.17566	3.0
499.15674	0.6
499.20261	0.7
508.19885	1.0
509.18393	2.1
512.20789	1.4
513.21881	0.9
514.22699	2.7
522.18237	0.9
523.19556	2.1
524.20404	0.6
527.23657	3.2
528.23157	0.6
537.19214	0.8
540.20392	0.8
541.21100	0.5
542.21588	1.1
545.23041	0.5
555.22424	31.1
556.22827	3.3
583.21906	100.0
584.22192	10.2
586.20044	0.8
587.25006	1.9
588.25079	0.6
601.22882	0.7
611.21497	1.5
614.23663	0.8
615.24512	13.4
616.24939	1.5
643.23944	78.6
644.24066	9.5
644.34100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03930	1.0
55.01856	1.4
55.05491	0.6
57.03427	0.7
60.04527	0.5
60.86789	0.4
61.02900	0.4
61.88955	0.6
65.03946	2.3
67.05515	2.1
69.03423	1.3
69.07056	0.7
69.09702	0.3
70.06580	0.6
70.50207	1.4
71.04981	0.5
73.02904	0.4
78.04697	2.6
79.05492	3.2
80.43255	0.3
81.03399	1.4
81.07039	1.1
82.04181	1.0
85.02902	2.4
89.03925	0.6
91.05480	5.7
93.03387	1.0
93.07051	2.3
95.04470	0.4
95.04970	3.0
95.08591	1.3
97.02872	1.0
97.06490	1.2
98.97443	0.4
100.65233	0.4
103.05464	3.4
105.04515	0.5
105.07013	1.6
106.04192	1.9
107.04958	5.4
107.08566	1.4
109.02881	1.0
109.06496	0.5
110.03642	1.4
111.04420	1.5
115.05451	5.2
117.07017	7.5
118.04180	0.7
119.04939	1.0
119.08532	1.2
121.06523	3.2
121.10137	0.9
123.04426	7.0
124.05239	2.6
125.05983	1.4
127.03891	1.3
127.05422	1.3
128.06146	0.6
131.04912	2.5
133.06493	0.8
134.03625	0.7
135.04439	0.7
135.11678	1.7
136.11996	0.5
137.05977	2.1
138.03108	1.1
140.04683	1.0
142.02618	1.3
143.04913	0.7
145.02818	1.0
145.06488	14.7
145.10117	0.7
146.10487	0.7
147.04385	1.1
147.07994	0.8
148.05127	1.1
149.05995	3.2
151.03920	2.1
151.07556	1.1
152.04675	2.2
153.05463	1.3
155.04933	0.6
155.06013	3.4
155.07043	0.5
155.84908	0.4
159.04433	1.0
161.05989	1.6
163.03896	1.5
163.11226	1.7
164.11568	1.2
165.05472	1.0
167.07043	100.0
168.07416	1.5
171.04344	0.4
171.06523	2.8
173.05991	21.6
174.06433	0.5
175.07610	1.2
177.05481	6.5
177.06908	0.7
179.07051	1.0
181.04961	48.5
181.08405	1.0
181.12169	0.7
182.05350	0.5
189.05481	0.5
191.07074	2.2
195.06566	1.0
201.05476	0.8
203.07104	2.2
204.07629	0.4
205.08589	5.9
207.06540	0.6
207.10152	0.6
209.08072	3.2
217.08690	0.5
219.06551	1.2
222.06741	0.5
227.12807	2.3
228.13197	1.7
231.06390	0.8
233.08090	5.4
234.08658	0.5
235.09628	7.1
237.09227	0.6
239.06931	0.4
247.07732	0.4
250.06227	0.6
263.07065	0.8
264.07825	0.5
265.08566	0.7
267.06473	0.5
268.08020	0.5
271.50403	0.4
278.05844	0.5
279.06482	0.5
282.08795	0.6
283.09494	0.6
283.15372	5.3
284.15787	5.6
287.05545	0.8
293.08020	1.1
297.11224	1.2
299.09036	0.4
307.09769	0.4
309.07544	0.7
310.08185	0.8
319.11493	0.4
325.10785	1.4
327.12152	0.5
353.10098	0.8
355.11975	0.6
357.13330	5.5
371.15341	0.5
381.13132	0.4
385.12839	27.0
386.13232	1.6
387.14359	3.8
399.14557	1.2
415.13898	0.9
416.14502	0.5
417.15424	9.8
481.11243	0.9
643.23828	53.6
644.24097	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64096	0.4
53.03960	1.1
55.01874	2.5
55.05528	0.6
65.03934	4.7
67.05502	2.8
68.99812	0.6
69.03427	2.7
69.07072	0.9
70.13432	1.6
71.01373	1.3
71.05003	0.7
74.44595	0.4
75.04475	0.6
77.03931	0.6
78.04732	1.4
79.05497	5.4
81.03413	4.5
81.07073	2.5
82.00571	0.7
82.04217	1.5
84.08149	1.0
85.02910	5.2
86.09689	0.7
91.05475	6.1
93.03397	1.2
93.07042	2.2
94.04202	0.6
95.04961	5.3
95.08598	1.0
97.02904	2.7
97.06528	2.6
98.20790	0.4
99.04501	0.7
102.29675	0.4
103.05464	14.5
105.03397	3.2
105.07030	7.3
106.04217	0.9
107.04961	8.8
107.08600	1.1
108.02124	0.9
109.02875	1.5
109.06509	3.2
109.10193	0.7
110.03682	2.0
111.04449	2.5
115.05457	6.9
116.06202	0.8
117.07013	6.0
117.14003	0.5
118.04182	3.2
119.05010	2.4
119.08618	1.9
121.06529	2.6
121.10179	0.7
122.03671	1.1
123.04430	5.9
123.08089	0.6
124.05220	2.4
125.06004	3.6
125.09669	0.8
127.03925	2.9
128.06177	0.8
129.07011	1.6
130.04158	1.4
131.04929	15.4
131.08551	1.5
132.05698	1.0
133.02827	3.1
133.06500	7.0
133.10121	1.0
134.03589	0.7
135.04419	1.6
135.08052	1.8
136.05182	0.7
137.02342	1.0
137.05977	6.8
138.03149	1.5
139.03860	0.8
139.07521	0.9
140.04715	0.7
141.07025	1.0
142.02634	1.4
143.04933	1.2
143.05988	0.5
144.05701	1.4
145.02844	0.6
145.04855	0.5
145.06487	8.5
145.10117	0.6
146.03639	0.6
147.04417	2.9
147.08028	2.5
147.11697	0.9
148.05191	9.5
149.06001	3.9
151.03938	3.3
151.07555	1.9
151.11107	0.5
152.04662	1.8
153.05493	4.6
155.06026	0.9
155.07040	2.7
155.08438	0.6
157.06520	1.6
157.10094	0.9
159.04414	0.7
159.08090	1.6
160.05176	0.8
161.05983	8.3
161.09613	0.7
162.06711	1.0
163.03879	1.4
163.07547	16.1
165.05492	7.6
165.06906	0.8
165.09149	0.8
166.06281	1.0
167.07047	63.1
168.07433	2.0
169.06429	0.5
171.04398	0.6
171.06549	5.4
172.05215	0.6
172.23262	0.5
173.04558	0.9
173.05975	8.1
173.07349	0.7
174.06728	0.6
175.07584	3.3
176.04733	2.0
177.05489	3.1
177.09016	0.6
178.06236	0.7
179.07021	2.0
179.08490	0.7
180.07802	1.7
181.04959	100.0
182.05301	2.9
183.06665	0.6
185.05972	0.8
187.07593	3.4
189.05437	1.3
189.09135	1.0
189.12695	0.7
190.06239	1.5
191.07027	80.5
192.07594	1.6
193.04927	3.6
193.08543	2.5
194.07224	0.6
195.06528	4.2
195.08049	0.6
197.08160	1.3
201.05452	2.2
202.06213	1.0
203.07082	3.0
205.06638	0.7
205.08583	6.4
207.06485	4.8
207.08305	0.7
207.10020	2.7
208.07304	4.1
209.08025	3.8
213.05597	0.7
217.08589	3.5
217.11989	0.7
218.09352	0.5
219.06401	0.8
219.08202	0.8
219.10085	5.8
220.07281	0.7
221.08025	1.3
225.07570	15.6
225.11058	1.0
226.08266	1.8
229.08537	0.7
231.06546	1.1
233.05954	0.4
233.08092	7.4
234.06590	0.6
234.08696	1.3
235.07574	1.2
235.09633	7.9
237.05290	0.6
245.08054	1.5
247.07365	0.8
247.09637	0.9
250.06216	0.7
251.06934	0.5
252.07832	0.8
253.08598	0.6
259.09677	0.7
263.09155	20.6
264.07629	0.7
265.08447	0.7
267.10095	2.6
271.09619	0.6
278.09210	0.5
281.08139	0.9
287.05408	1.1
293.07980	0.6
295.09592	1.1
297.11142	1.0
299.09116	0.5
306.08853	0.7
307.09631	0.8
309.07632	1.1
309.11011	0.8
317.09915	0.6
323.09283	0.7
325.10657	3.6
327.12091	1.0
329.10172	1.4
329.13834	0.9
331.11832	1.0
335.08954	0.6
337.10556	1.1
339.12244	1.4
343.11597	0.7
344.19647	0.5
353.09991	0.9
355.11612	0.9
357.13284	6.3
359.14685	0.8
367.11819	2.7
369.13120	1.8
371.14572	0.9
381.13132	1.2
385.12811	10.6
386.12808	0.9
387.14270	2.9
399.14337	3.7
416.14474	0.6
417.15430	18.4
418.15540	1.3
563.19385	1.0
593.19366	0.6
643.23248	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	643.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07227	5.8
71.60266	11.9
96.57829	5.7
164.91670	5.5
180.33148	6.9
197.40099	5.9
224.86580	6.8
393.10535	6.6
519.19360	8.5
523.18811	8.9
565.19550	7.9
625.21936	65.2
626.22351	9.1
643.23120	100.0
644.22424	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	643.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01865	0.6
57.03443	0.8
59.55338	0.2
61.02917	1.3
64.69848	0.2
65.03931	0.4
67.05504	0.3
68.99775	0.9
69.03422	3.4
70.06570	0.5
71.04980	0.4
73.02908	0.5
75.44927	0.2
76.37961	0.1
78.04684	0.2
78.61686	0.2
79.05492	1.0
79.98917	0.1
81.03413	2.0
81.07072	0.2
84.08140	0.3
85.02899	8.6
87.04470	0.4
91.03938	0.3
91.05474	2.6
93.03403	0.2
93.07051	0.3
95.01338	0.5
95.04957	0.7
97.02884	3.8
97.06582	0.2
97.60507	0.2
98.21509	0.4
99.04451	0.6
100.93519	0.2
102.04676	3.0
103.05469	1.6
105.03401	0.4
105.07033	2.9
106.04145	0.2
107.04951	0.9
109.02847	1.0
109.06506	0.5
110.03705	0.4
111.00777	0.5
111.04441	0.4
115.05458	0.7
117.03387	0.2
117.07009	0.6
118.04155	0.6
119.01306	0.3
119.04926	2.7
121.02878	0.5
121.06488	0.6
122.03640	0.3
123.04409	0.7
124.05209	0.7
124.90700	0.1
125.05989	0.4
125.09559	0.2
127.03914	1.7
130.04140	6.1
131.04919	8.5
132.05740	1.5
133.02843	2.1
133.06471	2.0
135.04388	1.2
136.05177	1.1
137.02342	0.7
137.05971	5.2
137.07034	0.2
138.06567	0.1
139.82851	0.2
143.06003	0.2
145.02838	0.6
145.04941	0.9
145.06490	0.8
146.03572	0.5
147.04401	8.4
148.05191	2.7
149.02345	0.2
149.05980	1.9
150.06749	1.2
151.03958	0.2
151.07565	0.8
153.01820	9.7
153.05367	0.2
155.04892	0.2
155.06035	0.2
157.06573	0.2
159.04393	0.5
161.02409	0.3
161.05972	4.1
162.06754	10.9
163.03897	2.6
163.07539	1.0
164.04257	0.5
165.01848	0.7
165.05537	0.3
166.06352	0.2
167.03349	0.2
167.07043	4.8
167.08405	0.2
171.02931	0.3
171.04338	0.2
173.05994	1.2
175.03970	0.2
175.07448	0.2
177.05428	1.1
177.06796	0.2
179.03362	1.7
179.07063	0.5
180.07840	0.3
181.01216	0.2
181.04979	3.3
181.06473	0.5
182.07158	0.2
183.02806	0.3
183.04308	0.2
184.05240	0.2
187.03906	0.7
187.07582	0.2
189.05482	0.9
191.03447	0.3
191.07028	2.8
193.01352	0.2
193.08626	0.7
194.07317	0.3
195.08046	0.3
199.03842	0.5
200.04622	0.2
201.05405	1.0
203.03404	0.7
205.06587	0.3
205.08598	0.3
209.05972	0.2
209.08005	0.3
210.06737	0.5
211.03862	0.2
217.04932	6.1
218.05482	0.3
221.06029	1.4
223.07565	0.7
225.05449	0.2
225.07574	0.3
227.03488	0.3
228.04128	0.3
229.04932	4.0
229.22641	0.2
230.05708	0.5
231.02969	0.5
233.08119	0.4
234.06749	0.2
235.07555	0.4
235.09737	0.4
237.05426	1.4
238.06245	1.8
239.06963	0.2
243.02859	0.3
245.04433	7.5
246.05103	0.4
249.05473	1.6
250.06200	0.6
251.07040	1.3
253.04958	0.5
255.06406	0.2
257.04401	2.3
258.05164	0.6
263.06949	0.4
265.04922	0.7
266.05594	0.2
267.06516	0.5
269.04401	1.0
273.03912	11.5
274.04626	1.0
277.04926	1.7
279.06345	0.8
281.04309	0.2
281.08331	0.2
283.06061	0.4
284.03204	0.2
285.03897	4.9
286.04697	0.8
287.05569	0.4
291.06586	0.5
297.04050	0.2
299.05466	0.4
301.03415	9.4
302.04184	3.5
303.04965	2.8
305.04376	0.4
311.05478	2.6
313.03442	2.3
319.06055	0.4
327.04953	4.0
329.07977	0.4
333.07404	0.2
339.04947	6.4
340.05609	0.2
347.05359	0.4
357.06104	2.2
375.08649	1.5
385.07050	1.5
385.12704	0.8
387.14221	0.3
389.06464	0.5
390.57291	0.2
393.91867	0.2
399.14465	0.2
402.07315	0.2
403.08090	1.8
413.06564	1.0
417.15259	1.1
419.07446	0.2
431.07632	9.4
432.08005	0.5
436.24890	0.2
448.07767	0.4
451.10245	3.2
463.10239	4.0
474.45923	0.2
481.11267	100.0
482.11572	2.5
567.30927	0.2
643.23444	1.1
648.86383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.02484	0.2
57.03431	0.6
61.02925	5.5
63.13615	0.2
64.60184	0.2
65.03934	0.4
67.05482	0.2
68.99788	0.7
69.03431	1.1
70.06582	0.4
70.38999	0.6
70.39390	0.4
71.01323	0.2
73.02921	1.1
79.05490	0.4
81.03414	0.7
85.02905	4.5
85.13129	0.2
89.03921	0.3
91.03957	2.7
91.05474	2.1
93.03391	0.4
95.01337	0.3
95.04961	0.4
97.02893	3.5
97.94881	0.3
98.96805	0.2
99.04417	0.4
102.04690	2.5
103.05430	1.5
105.07040	1.3
107.04944	0.9
109.02878	0.5
109.06463	0.4
110.03670	0.4
111.00807	0.5
112.07585	0.2
115.05429	0.6
117.06976	0.3
118.04224	0.3
119.04948	2.2
121.02830	0.2
121.06453	0.4
123.04420	0.4
124.05189	0.6
127.03912	0.7
130.04147	5.8
131.04926	7.1
132.05731	1.2
133.02841	2.4
133.06485	0.9
135.04404	0.8
136.05234	1.0
137.02339	0.4
137.05980	5.2
145.02835	0.4
145.04967	0.5
145.06488	0.6
146.03653	0.4
147.03210	0.4
147.04405	7.7
148.05168	2.3
149.06001	1.4
150.06738	0.8
151.07559	1.1
153.01830	8.0
155.04857	0.4
157.06505	0.2
159.04434	0.2
161.05998	1.6
162.06760	10.3
163.03920	2.0
163.07452	0.7
165.01855	0.8
165.05553	0.2
165.07004	0.2
167.07068	3.2
168.92421	0.2
173.05984	0.8
177.01889	0.3
177.05435	0.7
179.03392	1.4
179.07080	0.3
180.07832	0.3
181.04973	1.9
181.06468	0.4
185.06035	0.2
187.03935	0.3
189.05489	0.7
191.03317	0.3
191.07028	0.6
193.06451	0.3
195.08083	0.3
199.03929	0.4
201.05482	1.0
203.03412	0.6
205.06496	0.4
205.08578	0.3
209.06024	0.4
210.06844	0.5
217.04959	5.5
218.05385	0.2
221.05986	1.3
223.07600	0.9
227.03273	0.2
228.04321	0.3
229.04956	3.2
230.05721	0.3
231.02872	0.4
233.05988	0.3
235.07518	0.2
235.09787	0.3
237.05534	1.1
238.06215	2.2
241.05026	0.3
245.04437	7.1
246.05127	0.3
249.05563	1.2
250.06181	0.5
251.07010	0.9
253.05092	0.5
255.06470	0.4
257.04376	2.3
258.05255	0.5
263.06726	0.3
265.05060	0.4
267.06741	0.3
269.04437	0.8
273.03931	11.0
274.04666	0.7
275.67535	0.3
277.04953	1.7
279.06583	0.8
283.06000	0.4
285.03937	4.7
286.04694	0.7
287.05301	0.5
297.03839	0.4
299.05450	0.3
301.03424	7.9
302.04181	2.6
303.05020	2.5
305.04340	0.5
311.05408	2.1
313.03397	2.4
319.06158	0.4
327.05005	3.2
329.08109	0.4
339.04965	5.4
347.05191	0.3
357.06003	2.6
375.08624	1.2
385.07132	1.1
385.12653	0.5
387.08405	0.2
389.06558	0.4
403.08072	1.2
413.06653	1.1
417.15482	0.6
419.07388	0.3
431.07620	10.3
432.07843	0.7
448.07471	0.3
451.10352	3.4
461.77060	0.2
463.10294	3.6
481.11288	100.0
482.11615	4.2
542.42023	0.3
643.24200	1.0
643.89288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01878	0.3
57.03430	0.6
61.02924	4.9
68.99799	0.6
69.03423	0.7
70.49783	0.3
70.50128	0.7
73.02901	1.3
79.05491	0.6
81.03413	0.4
83.39954	0.2
85.02416	0.4
85.02898	4.2
85.03371	0.4
86.09696	0.4
87.05571	0.2
87.92445	0.2
89.03913	0.4
91.03958	2.5
91.05488	1.4
93.03391	0.2
95.01311	0.4
95.04973	0.4
97.02885	2.0
99.04443	0.2
102.04681	1.7
103.05453	1.4
105.03400	0.7
105.07029	0.9
106.04150	0.2
107.04939	1.2
109.02895	0.5
109.06522	0.2
109.58976	0.2
110.03694	0.3
111.00777	0.3
111.04467	0.3
117.03387	0.4
119.04928	1.6
121.02859	0.6
121.06490	0.6
122.03670	0.4
123.04451	0.5
124.05198	1.3
125.06006	0.3
125.09577	0.3
127.03932	0.8
130.04135	3.1
131.04926	5.9
132.05695	0.9
133.02844	5.3
133.03798	0.3
133.06224	0.7
134.03648	0.4
135.04427	1.4
136.05211	1.6
137.02361	0.2
137.05965	5.3
145.02831	0.6
145.04980	0.7
146.03566	0.7
147.04407	4.6
148.05196	3.2
149.05974	2.4
150.06761	2.1
151.07523	0.6
152.08310	0.4
153.00565	0.3
153.01825	4.8
159.04437	0.5
161.06015	1.2
162.06754	5.4
163.03926	0.8
163.07536	1.8
165.01830	0.7
165.05472	0.3
167.07031	1.2
173.05981	0.3
177.05444	1.9
178.05872	0.4
179.03384	1.1
180.07797	0.4
181.04953	0.6
181.06442	0.4
187.03979	0.4
189.05521	0.5
191.03433	0.4
193.08594	0.4
194.08926	0.2
201.05476	0.9
203.03447	0.4
213.05624	0.2
215.03300	0.3
217.04967	5.3
219.03073	0.3
221.06000	0.5
223.07516	0.2
225.11172	0.2
229.04942	3.0
230.05632	0.6
237.05466	0.5
238.06042	0.4
241.05104	0.2
245.04445	6.0
249.05476	0.7
251.07025	0.4
253.04944	0.2
255.06566	0.3
257.04449	1.5
258.05289	0.6
269.04459	1.1
271.06088	0.2
273.03931	8.3
274.04727	0.6
277.04962	0.6
279.06653	0.3
285.03906	3.4
286.04599	1.0
287.05502	1.3
295.05853	0.2
299.05618	0.2
301.03424	8.2
302.04190	3.8
303.04944	3.1
304.05478	0.4
305.05511	0.3
311.05481	1.4
313.03464	2.4
327.04904	1.3
339.04974	2.9
357.06012	1.6
360.47867	0.2
375.08609	0.7
385.07080	0.4
385.12939	0.3
389.06985	0.2
403.08099	0.8
403.12976	0.2
419.07443	0.4
420.08081	0.3
431.07632	4.5
448.07919	1.0
451.10300	4.7
463.03571	0.3
463.10233	10.6
481.11288	100.0
482.11670	2.6
534.44470	0.2
643.24365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01866	1.7
55.05521	7.4
56.05032	3.2
57.03426	1.3
57.07061	1.8
58.06594	0.7
60.04532	53.6
61.02921	1.3
62.22864	0.6
65.03935	1.0
67.05510	16.6
69.03447	4.2
69.07072	7.9
70.06583	2.0
71.05000	9.1
72.04516	1.6
72.21143	0.6
74.06080	2.5
76.21332	0.6
79.05497	11.8
80.05022	1.6
81.03428	11.4
81.05795	0.8
81.07066	30.7
82.06574	0.7
83.04986	1.3
83.08628	4.2
84.04511	0.7
85.02911	12.0
85.06548	6.2
86.06081	1.5
86.09735	1.3
88.07618	1.6
91.05479	3.1
93.07055	13.2
94.06581	4.0
95.04974	4.9
95.08618	27.9
96.08142	1.8
97.02880	4.8
97.06548	6.5
97.10181	1.8
98.06039	3.1
98.09703	1.0
98.20740	1.9
99.04448	0.7
99.08107	4.9
102.40781	0.7
103.05480	1.0
105.07031	6.7
107.04966	0.9
107.07383	1.1
107.08588	4.0
109.02896	0.9
109.10167	7.6
110.09692	3.0
111.04434	0.8
111.08086	5.6
112.07573	1.0
112.11230	1.0
114.09208	0.8
117.07030	0.9
119.04920	0.7
119.08594	0.8
121.10155	5.1
122.09682	10.4
123.08076	26.4
123.11730	3.9
124.04018	1.0
124.08408	0.8
127.03918	2.6
128.10732	13.6
131.04948	1.4
133.10141	0.9
135.11725	3.6
137.06020	1.1
137.13232	3.8
137.98671	0.7
140.10713	82.8
141.09128	9.9
141.11066	0.9
145.04991	1.3
145.06519	1.7
145.10124	1.1
147.04465	3.4
148.04803	0.7
149.13297	2.0
158.11783	15.0
167.07048	7.9
173.06021	1.7
176.12840	12.4
177.05536	2.3
181.04942	3.7
181.59657	0.8
194.13968	1.5
205.08612	0.9
205.19550	2.6
214.29198	0.7
223.20644	1.2
229.75943	1.2
249.55226	0.6
268.22577	0.9
283.15533	4.5
286.23792	1.4
292.22589	1.5
295.04593	0.8
310.23868	1.6
328.24594	0.8
338.26620	0.7
378.30377	0.8
385.12906	2.2
390.30045	1.2
408.31039	4.7
426.26300	1.4
426.32181	29.2
444.33252	83.4
445.33685	3.4
462.34308	100.0
463.34698	3.3
480.35361	35.6
579.77386	0.7
602.11646	0.8
624.39825	1.8
643.23315	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	641.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.1
55.05508	0.1
56.05019	0.1
58.06329	0.1
58.06595	0.9
63.02362	0.1
65.03922	1.1
70.06579	0.3
71.03301	0.1
72.08147	0.8
81.03404	0.1
84.08134	4.0
86.09689	0.1
91.05471	8.2
92.05811	0.1
95.04958	0.1
96.08131	0.1
97.02869	0.0
98.09667	0.2
107.04935	0.2
110.09698	0.3
112.11232	13.2
113.07136	0.2
113.11594	0.1
119.04931	20.4
120.05201	0.2
127.12285	0.0
129.13864	11.6
130.14221	0.1
131.04904	0.1
133.06430	0.1
137.05910	0.1
146.06041	0.2
147.04391	100.0
148.04726	1.1
149.06039	0.1
155.10507	0.1
155.11774	1.9
160.07567	0.2
162.09134	0.1
163.04044	0.1
167.07104	0.1
181.04918	0.1
203.11783	5.0
203.22261	0.1
204.10176	68.8
205.10509	1.0
212.17549	0.1
218.11731	0.8
229.20116	0.1
257.16522	0.1
258.14957	0.1
275.17499	18.1
276.17847	0.3
292.20306	0.2
331.24954	0.1
332.23386	0.1
349.25940	1.1
350.26239	0.1
358.21246	0.1
375.23972	0.1
421.21222	0.7
438.23996	0.2
477.28592	2.4
478.27338	0.2
495.29630	8.1
496.30267	0.2
521.27716	0.1
567.75665	0.0
623.31879	0.2
624.30682	1.2
641.33246	53.9
642.33563	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2971
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05513	0.3
62.36675	0.2
67.05505	0.3
70.29380	0.6
79.05518	0.4
81.03407	0.3
81.07041	0.3
83.08603	0.2
89.63124	0.2
93.07027	0.4
95.08616	0.4
105.06963	0.3
107.08599	0.3
119.08606	0.3
205.52380	0.3
211.12383	0.3
241.81700	0.3
314.12866	0.4
317.20026	0.3
328.14590	0.2
349.23892	0.3
365.17468	0.3
376.16974	0.2
377.17728	0.7
378.18729	0.4
379.19281	0.9
390.18634	0.3
391.19531	1.2
392.15747	0.4
392.20236	0.7
393.21045	2.3
394.21674	0.3
395.22351	0.6
405.16745	2.4
405.21667	0.4
406.17407	1.6
406.22366	0.4
407.18433	1.0
407.22757	5.0
408.23138	0.6
418.17337	0.3
419.18381	3.7
419.23663	0.4
420.19281	2.4
421.20319	5.2
422.20645	0.4
423.21869	1.1
433.20325	5.3
434.21292	4.1
435.21970	7.6
436.22818	1.5
447.22510	2.1
448.19025	0.9
448.23950	0.3
449.19705	8.9
450.20270	0.6
451.21552	0.4
453.22919	0.5
461.18961	0.3
461.23874	0.5
462.20886	0.6
463.21191	3.0
464.22104	1.8
465.19086	0.8
466.24991	0.2
467.24741	0.5
476.22501	0.4
477.22754	0.7
479.20224	1.1
479.25775	0.2
480.21631	0.7
481.22354	2.1
489.22787	0.6
491.24405	0.5
493.21539	2.0
494.22986	2.7
495.23782	2.9
496.24622	0.3
505.22678	0.2
507.24426	1.7
508.24643	0.4
509.25433	0.6
516.92694	0.3
521.25757	9.3
522.26343	0.5
523.27106	0.7
535.23602	0.8
536.25287	0.3
539.23358	0.9
543.36597	0.4
549.25244	1.1
550.25757	0.4
553.25366	0.8
563.26178	1.0
567.26056	0.3
580.27173	0.3
581.27649	21.2
582.28040	1.0
609.27167	0.5
613.30243	0.3
623.25690	0.5
641.29712	100.0
642.29999	2.8
667.58264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71539	1.0
53.03930	2.9
55.01868	2.5
55.05504	2.2
55.12391	1.1
55.86237	1.1
65.03951	1.6
67.05506	8.5
69.03423	4.9
69.07072	3.3
69.54237	9.2
71.04993	1.3
79.05496	6.9
81.03428	8.6
81.07066	10.0
83.04961	2.2
85.02925	2.0
91.04958	2.0
91.05487	21.5
93.07033	13.4
95.04961	5.0
95.08604	8.3
97.02897	12.3
97.06540	2.5
98.20734	1.7
99.04446	2.4
101.12486	1.2
105.07036	21.5
107.04966	5.5
107.08601	16.9
109.02864	10.8
109.06509	4.2
109.10155	12.2
111.04433	7.7
111.08066	1.8
113.06091	1.3
117.07000	3.7
119.04951	23.6
119.08588	22.1
121.02834	2.1
121.06509	4.4
121.10148	5.6
123.04408	4.2
123.08084	4.2
123.11697	2.2
125.05980	1.3
127.03917	23.4
129.07033	3.4
129.49663	1.3
131.08568	5.2
131.44258	1.3
133.06462	3.0
133.10144	16.2
135.08080	8.8
135.11694	3.3
137.05907	1.6
137.09616	2.2
139.07419	1.5
143.08559	6.2
145.04976	1.7
145.06459	1.8
145.10127	3.7
147.04411	100.0
147.08026	8.7
147.11652	3.8
149.09570	5.9
155.08649	1.3
156.09351	1.7
157.06538	1.8
157.10127	5.0
157.23514	1.2
159.08054	2.8
159.11684	2.2
161.09624	12.6
161.13216	2.4
163.11241	6.9
165.07016	1.5
165.09122	9.1
166.07768	2.8
169.10120	1.8
171.08035	1.6
171.11665	6.1
173.09660	1.5
173.13222	1.8
175.11256	2.3
179.10677	7.2
181.10143	5.5
185.09592	6.7
187.07477	2.2
187.11130	1.9
189.09100	5.2
191.10748	2.0
199.11191	17.6
203.10667	1.4
207.10153	9.2
217.12302	8.0
225.11180	25.2
235.13213	2.2
255.06604	2.4
255.17194	1.9
267.12296	2.8
269.19278	1.4
287.20132	1.6
297.18558	4.5
315.19540	11.5
351.14551	1.6
357.20517	4.8
369.20731	2.2
423.21637	4.6
441.22763	11.2
459.23517	1.9
609.23688	1.6
636.38715	1.6
644.82587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33637	0.6
52.53965	0.6
53.03941	2.7
55.05508	1.8
57.03433	0.9
65.03940	2.7
65.43326	0.7
67.05501	5.6
69.03435	5.0
69.07059	1.9
71.04993	1.9
71.59567	1.1
73.02945	0.8
79.05499	5.5
81.03429	6.0
81.07064	6.5
83.04977	2.6
83.08643	0.9
85.02901	1.6
91.05483	18.7
93.07050	9.3
95.04967	2.7
95.08605	8.5
97.02896	10.0
97.06524	3.0
99.04461	2.9
103.05428	1.2
105.07036	16.2
106.07351	0.9
107.04974	3.4
107.08598	13.8
109.02883	12.5
109.06528	3.5
109.10162	12.5
111.04437	8.6
111.08069	1.6
115.05456	1.6
117.03384	2.2
117.07021	3.0
119.04956	26.2
119.08586	17.8
120.05255	0.8
120.08762	0.7
121.02860	1.1
121.06528	3.3
121.10144	5.9
123.04430	2.4
123.08085	3.1
123.11716	1.4
125.06005	1.0
125.09647	1.8
127.03922	22.6
129.07021	1.9
131.04958	1.0
131.08586	3.4
133.06508	10.0
133.10139	11.8
135.08070	6.6
135.11702	2.0
137.05977	2.4
137.09627	1.5
139.07535	0.8
142.07755	0.8
143.08600	5.1
145.02852	5.9
145.04962	1.4
145.06537	2.2
145.10120	6.4
147.04419	100.0
147.08057	6.9
147.11685	2.2
148.04761	2.1
149.05978	2.2
149.09642	3.0
151.07603	0.9
151.11163	1.7
155.08549	1.4
156.09286	1.2
157.06499	1.3
157.10138	4.3
159.08090	2.9
159.11691	4.3
161.09636	8.1
161.13222	0.9
163.03902	2.2
163.07573	1.0
163.11197	5.2
163.16187	0.8
165.05493	0.7
165.06992	1.4
165.09134	9.3
165.31674	0.7
166.07837	1.3
167.07059	3.5
167.08441	1.3
169.10120	2.0
171.08061	1.5
171.11726	4.5
173.06070	2.0
173.09634	1.3
173.13284	1.5
175.11200	1.8
177.05495	11.4
177.12793	0.9
179.08533	0.8
179.10686	5.1
181.04964	4.4
181.10162	1.9
183.11772	1.8
185.09619	4.4
185.13342	1.2
187.11160	1.3
187.14842	1.4
189.09126	5.6
191.10675	2.2
195.11740	1.1
197.09740	0.9
197.13213	1.3
199.11218	9.7
199.14890	1.6
203.10641	1.4
207.10170	8.4
209.08089	1.7
209.13275	1.3
211.14819	1.0
213.12758	1.5
217.12271	4.9
225.11201	15.5
229.08662	0.9
234.09010	1.3
237.05531	0.8
237.16504	0.8
241.12260	1.0
251.17970	1.1
255.06613	1.7
255.17557	1.2
257.08228	1.0
259.13245	1.0
267.12250	1.7
269.19040	1.9
279.17599	1.5
285.18491	0.8
287.20020	1.3
295.17072	1.2
297.18500	6.5
298.72391	0.7
313.17966	1.2
313.92850	0.7
315.19550	12.3
331.19150	1.8
333.13144	1.1
333.20752	1.1
336.85364	0.7
351.14374	1.3
357.20654	1.6
369.20532	0.9
375.21594	1.1
385.12744	1.0
389.21045	0.7
405.21057	1.0
410.43021	0.8
423.21625	3.1
441.22714	7.2
459.23715	4.1
623.28699	1.4
641.22705	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01868	1.2
55.05500	2.4
61.06116	0.6
65.03931	2.7
67.05502	5.8
69.03440	4.0
69.07059	1.9
70.96958	1.4
70.97309	0.8
71.04985	1.7
79.05497	4.3
81.03419	5.4
81.07066	5.4
83.04987	3.1
83.08617	0.7
85.02921	1.5
87.04431	0.6
91.05484	16.6
92.83340	0.6
93.07047	8.1
95.04961	2.8
95.08615	7.7
97.02898	7.6
97.06517	2.3
99.04443	1.3
105.07041	14.3
107.04937	3.0
107.08601	11.1
109.02887	9.3
109.06527	2.8
109.10161	10.7
111.04443	8.4
111.08085	1.4
117.07018	2.2
119.04093	1.4
119.04948	26.0
119.07783	1.3
119.08584	17.2
121.02858	0.9
121.06497	2.6
121.10146	6.5
123.04440	2.8
123.08063	2.8
123.11675	1.6
127.03930	17.7
128.06238	1.1
129.07004	1.9
130.07831	0.8
131.08582	4.1
133.06487	9.2
133.10126	9.8
135.08052	5.0
135.11703	1.7
137.05984	1.4
137.09612	1.7
141.07030	0.7
142.07767	1.5
143.08572	5.0
145.06490	0.9
145.10132	5.1
145.72699	0.7
147.04416	100.0
147.08061	5.8
147.11671	1.8
148.04735	0.9
149.05917	0.9
149.09624	3.0
151.07520	0.8
151.11136	0.8
155.08598	1.3
156.09309	0.6
157.10167	4.6
159.08051	2.1
159.11737	4.3
161.09628	7.4
163.07562	1.1
163.11172	4.3
165.09117	6.5
167.07030	1.1
169.10178	2.0
171.08121	1.6
171.09523	0.7
171.11734	3.6
173.09636	1.8
173.13316	1.4
175.11195	1.2
179.10663	4.4
181.04988	1.0
181.10143	2.6
183.11728	1.4
185.09607	5.0
185.13232	1.4
187.07593	0.9
187.11217	2.3
187.14851	0.9
189.09126	4.0
189.10732	0.6
189.12744	1.6
191.10663	1.4
195.11713	1.2
197.09567	1.1
197.13246	1.4
199.11183	10.4
199.14850	2.1
201.12874	0.9
203.10753	1.4
207.10172	5.1
209.13322	1.2
211.07648	0.8
211.14867	0.9
213.12706	0.8
215.10786	0.8
217.12332	5.2
219.13812	1.1
225.11232	17.5
225.13361	1.1
227.17989	0.8
235.13187	1.0
237.16434	1.1
241.12341	1.0
251.17998	1.5
255.06506	1.6
267.12378	1.6
269.18915	1.2
273.18637	1.1
279.17383	1.2
287.20142	1.6
295.17108	0.8
297.18488	6.6
313.17953	1.8
315.19547	11.6
331.19177	1.5
333.20599	0.9
335.09433	1.2
351.14447	1.6
357.20554	2.0
369.20639	1.6
375.21667	1.1
405.20538	0.8
423.21652	2.4
441.22751	8.6
459.23611	3.4
504.94324	0.7
623.28180	0.8
641.35034	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	641.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47279	0.5
52.74072	0.4
54.54591	0.4
55.05510	1.3
57.03428	0.7
58.17598	0.4
67.05499	1.9
69.07070	1.0
71.59669	0.9
79.05481	1.5
80.05759	0.4
81.07056	2.0
91.05475	1.0
93.07053	1.3
95.04947	0.6
95.08638	1.0
105.07038	1.7
107.08607	1.4
109.06525	0.5
109.10190	0.7
117.06999	0.7
119.08573	1.0
121.10146	0.7
131.08534	0.7
133.10097	0.8
135.07997	0.5
143.08604	0.4
145.10143	0.6
147.11722	0.8
149.13191	0.5
159.11726	0.6
275.20166	0.8
396.13934	0.5
407.11359	0.5
408.12064	0.7
409.13251	0.9
410.14554	0.9
414.14713	0.6
421.13004	2.1
422.13733	6.7
423.14590	4.5
424.15689	1.5
425.16751	0.6
428.16205	0.9
434.12924	0.5
435.14603	4.3
436.15466	5.3
437.16214	8.8
438.16754	1.5
439.17136	0.7
441.15732	1.6
449.16290	2.1
450.17639	3.5
451.17722	4.4
452.18268	1.9
453.16159	0.7
454.17023	0.8
455.17398	0.9
459.15323	0.5
462.16803	0.6
463.14069	1.6
464.14377	3.6
465.15573	4.2
465.20322	1.8
466.15680	0.9
466.20615	0.8
467.17209	1.2
468.14413	0.9
469.14960	2.2
470.16354	0.6
477.15720	1.4
478.16367	2.6
479.17566	3.5
480.18124	3.0
482.15909	0.8
483.16418	1.1
484.17917	0.8
492.17798	1.0
493.19037	7.7
494.14963	0.4
494.20581	2.1
495.16278	5.3
496.17380	1.7
497.14487	0.6
498.15161	2.5
506.15698	2.8
507.16562	2.3
508.17468	8.6
509.18192	6.0
510.14948	1.1
512.16882	5.3
513.17688	0.6
521.18262	12.9
521.26105	0.6
522.16278	3.7
522.19995	4.0
523.19360	0.7
524.16901	0.9
525.18378	0.6
526.14526	2.7
536.19489	0.6
537.17993	0.8
538.18030	0.7
539.19202	1.7
540.16052	0.7
543.36499	0.7
549.17590	1.0
553.20673	4.4
563.18976	0.5
567.18219	0.6
581.20288	47.6
582.20593	3.8
599.21344	15.2
600.21783	0.6
609.19684	1.5
622.22955	8.2
622.40210	0.7
623.23053	0.6
623.43127	1.1
641.22406	100.0
642.22668	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	641.1498
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
53.03951	0.6
55.01861	0.2
56.38151	0.1
57.03451	0.2
62.88697	0.1
63.02388	0.6
67.05506	0.2
69.03434	2.3
69.89597	0.9
71.05002	0.3
78.04717	0.2
79.05496	0.6
81.03417	4.9
85.02897	1.7
89.03915	7.8
91.05474	0.6
93.07038	0.2
95.04924	0.2
97.02903	0.6
99.04454	0.6
102.39992	0.2
103.05491	0.4
106.04207	0.2
107.04945	1.1
109.02878	2.0
109.10161	0.2
117.03381	20.3
118.03725	0.2
119.04941	0.5
121.02879	0.3
121.06532	0.2
122.18291	0.2
124.05182	0.2
127.03914	1.2
134.03630	1.4
135.04416	10.7
137.02359	0.6
145.02844	51.5
146.03204	0.4
147.04407	0.6
149.05977	6.0
153.01836	1.6
158.06009	0.2
162.03136	0.4
163.03902	60.3
164.04285	0.7
165.01833	0.5
172.09589	0.2
177.05467	100.0
178.05817	1.2
181.04976	1.2
186.05486	2.0
195.06520	1.1
196.24559	0.2
201.05458	0.5
228.04109	0.2
229.04982	1.1
246.05255	0.3
257.04376	0.7
268.80109	0.2
274.04800	0.8
285.03961	1.1
302.04239	1.9
303.04990	17.4
304.05182	0.4
307.08118	3.0
317.06558	14.1
321.09702	6.2
325.09116	1.5
339.10748	4.2
342.43359	0.1
359.07434	0.2
371.64273	0.2
419.76837	0.2
475.75317	0.2
501.48471	0.2
516.08917	0.2
637.29803	0.2
639.97736	0.2
641.33276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01870	2.7
55.05499	3.0
57.03438	0.9
57.07084	1.6
60.59189	0.8
65.03931	1.2
67.05518	5.6
69.03430	12.1
69.07053	2.1
71.04990	3.4
71.58304	1.8
73.02906	0.9
79.05500	6.7
81.03419	31.8
81.07062	11.6
82.03733	1.1
82.07429	1.0
82.90017	0.9
83.04975	2.7
83.93589	0.9
85.02912	3.1
85.06563	1.5
91.05474	10.5
93.07047	15.7
94.07307	0.9
95.04976	3.2
95.08602	10.1
97.02901	23.7
97.06532	1.8
99.04471	4.7
102.95911	0.9
103.05473	1.7
105.06378	1.5
105.07037	16.5
106.07316	1.4
107.04962	3.1
107.08604	17.5
109.02885	100.0
109.06512	8.6
109.10156	7.1
111.04420	7.5
111.08086	7.2
113.06036	1.0
113.09665	1.7
115.03944	1.1
115.05476	0.8
117.07043	1.5
119.08588	39.5
121.06499	4.1
121.10147	16.5
123.08076	13.5
123.11726	4.1
124.08760	1.1
125.09634	83.8
126.09966	1.1
127.03922	90.7
128.06212	1.4
129.07013	1.6
130.07742	1.1
131.04898	1.2
131.08577	2.5
133.06488	2.3
133.10133	32.1
135.04413	1.2
135.08113	1.1
135.11717	5.0
137.05997	3.0
137.08710	1.2
137.09596	6.7
139.07600	1.0
143.08527	6.5
145.04968	8.3
145.06563	1.8
145.10129	3.2
147.04405	1.7
147.08041	18.3
147.11644	1.5
149.06010	1.1
149.09656	1.6
151.07539	1.7
151.11179	4.7
157.10066	1.4
159.11664	1.0
161.09619	25.1
163.03946	5.4
163.07539	2.4
163.11133	5.0
164.04268	1.6
165.09113	27.7
167.07098	1.2
169.10165	1.1
171.08011	2.2
171.11703	1.5
173.09642	1.2
173.13307	1.3
175.11197	2.5
175.14706	1.1
179.10678	19.2
189.09103	19.0
193.12265	2.2
197.11736	2.4
203.10698	4.6
207.10172	28.0
221.11739	43.1
225.11223	36.8
225.13374	1.9
226.11539	1.0
239.12770	10.3
243.17361	1.2
249.11229	1.4
267.12311	3.3
271.16956	2.5
289.10681	0.9
289.17926	2.6
313.17981	2.1
315.12357	1.2
331.19043	13.4
333.13278	6.0
349.20074	16.7
351.14435	9.1
367.21213	1.8
391.21155	13.7
421.21988	2.6
439.21100	1.6
441.22931	1.9
457.22266	42.3
458.22308	1.0
475.23294	33.1
476.23318	1.1
493.24237	3.6
551.30225	5.5
569.31079	22.1
587.32172	1.6
605.33081	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67305	0.7
52.20572	0.8
53.03943	2.5
54.84274	0.7
55.01859	2.7
55.05518	3.9
55.80548	0.7
57.03422	2.4
57.07082	1.2
60.04506	2.3
61.02925	2.2
62.92281	0.8
65.03937	1.0
67.05489	3.1
67.28539	0.7
69.03427	10.4
69.07068	6.6
69.51456	0.7
69.54018	5.4
70.06592	1.8
71.04997	2.9
72.08166	0.9
73.02904	2.5
73.11584	0.8
79.05489	3.4
80.23381	0.9
81.03428	7.3
81.07058	9.5
83.04998	1.8
83.08622	5.4
84.08131	2.0
85.02903	25.2
85.06541	2.1
86.09702	2.4
87.00831	8.7
87.04482	0.9
91.03962	0.8
91.05500	3.9
93.07050	9.5
95.04980	1.7
95.08611	22.6
97.02887	13.4
97.10165	3.4
98.21469	1.5
99.04461	3.4
99.08099	9.3
105.01865	18.7
105.07024	3.7
107.04944	1.2
107.08598	27.0
109.02873	7.6
109.06487	0.8
109.10160	7.0
111.08070	2.8
113.09659	1.2
115.03909	1.4
117.03326	0.8
119.04910	1.2
119.08581	4.1
121.06506	1.3
121.10146	39.9
123.08097	0.9
123.11716	2.3
125.09635	3.2
127.03928	19.8
129.01854	1.5
129.10248	1.0
133.06519	1.2
133.10112	3.0
135.11691	10.7
136.07602	1.2
137.05930	2.2
137.13280	3.7
138.09149	5.3
139.11122	0.8
143.08534	1.1
145.02837	1.3
145.04958	7.7
146.99608	0.7
147.04388	4.3
147.11681	1.4
149.13248	3.2
159.02850	2.6
159.11629	1.1
163.03879	0.9
163.07620	1.4
166.08641	9.2
167.07074	1.3
175.14853	2.3
177.05521	3.0
177.16391	100.0
178.16724	1.6
187.14850	1.4
189.03931	0.9
193.12344	0.9
195.17450	23.8
213.04004	2.1
213.16451	1.7
213.18489	25.0
231.04996	9.1
231.17403	0.9
249.06085	6.2
285.18597	1.2
303.19473	1.2
319.36783	0.8
333.05945	2.2
389.19818	1.7
407.20673	1.8
422.36032	0.9
425.21487	1.9
442.31223	1.9
460.32108	2.2
518.53461	0.8
640.19482	1.8
640.36591	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	640.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01878	1.3
55.05509	4.1
57.03433	1.3
57.07072	1.1
59.05005	0.6
60.04525	0.4
61.02925	1.1
67.05504	2.1
68.99770	0.4
69.03430	5.7
69.07069	8.7
69.34459	0.2
71.04998	2.0
71.08621	0.4
71.34457	0.3
71.34779	0.4
72.02054	0.2
73.02914	1.0
79.05494	3.5
81.03418	3.2
81.07056	10.1
81.07523	0.6
83.04986	0.5
83.08620	5.6
85.02907	15.8
85.06537	2.0
87.00831	5.2
87.04460	0.4
91.03957	0.5
91.05480	2.2
93.07047	9.2
95.05024	0.5
95.08606	22.9
97.02894	6.4
97.06564	0.5
97.10162	3.6
99.04455	1.9
99.07598	0.2
99.08093	9.8
105.01870	11.1
105.07023	2.7
107.04969	0.3
107.08595	27.2
109.02884	4.2
109.06560	0.4
109.10159	6.5
111.08080	4.2
111.11723	0.4
113.09618	0.4
115.03925	0.6
117.01846	0.4
119.08590	1.4
121.10145	44.2
122.10406	0.4
123.08087	0.6
123.11717	2.0
125.09627	3.5
127.03918	9.4
129.32010	0.3
131.44318	0.3
133.10129	1.1
135.11700	11.1
137.05991	0.3
137.13258	5.3
138.09074	0.3
139.11145	0.5
145.02838	0.4
145.04968	3.7
145.10104	0.6
147.04428	0.7
147.11668	0.4
149.13245	3.6
159.02881	1.2
159.11717	0.3
161.05956	0.3
166.08725	0.6
167.07016	0.3
175.14870	0.6
177.00703	0.3
177.05435	0.3
177.16386	100.0
178.16762	0.8
187.14803	0.4
195.17448	26.6
196.17361	0.3
209.08014	0.3
209.13309	0.3
213.03911	1.0
213.18495	28.1
214.18831	0.3
219.17337	0.3
230.44122	0.3
231.05000	5.7
235.17082	0.3
249.06036	5.1
271.07965	0.3
299.10529	0.3
303.19412	0.4
321.20621	0.3
393.10382	0.6
407.20435	0.6
425.21301	0.3
442.31091	0.3
443.22760	0.6
461.23630	0.8
626.50256	0.3
640.35907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01863	0.9
55.05500	0.9
60.19273	0.7
63.82714	0.7
67.05484	1.9
68.99793	0.7
69.03436	3.4
69.07060	0.7
70.06583	2.0
71.04967	1.0
71.59401	0.7
79.05502	3.3
81.03400	2.9
81.07053	3.4
83.04994	1.4
85.02892	2.4
86.09692	2.8
87.00819	2.9
89.03923	3.7
90.04257	1.2
91.05482	5.2
93.07047	3.9
95.04981	1.6
95.08609	2.8
97.02879	10.5
97.06498	0.7
99.04451	1.5
100.11232	0.8
103.05467	0.8
105.01862	2.1
105.07028	4.4
107.04943	1.7
107.08586	4.8
109.02877	8.5
109.06499	1.7
109.10165	2.1
110.03206	0.7
111.04413	0.9
111.08070	2.4
116.07085	1.1
117.03381	5.7
117.07001	1.4
118.03719	1.1
119.04927	2.9
119.08582	10.4
120.08128	0.8
120.08922	0.7
121.02886	1.4
121.06468	1.1
121.10112	3.6
122.09645	1.2
123.04428	0.7
123.08047	3.4
123.11670	1.4
124.99995	1.5
125.05936	0.7
125.09624	59.1
126.09956	0.9
127.03905	8.3
129.07068	0.9
129.72441	0.7
131.04950	2.2
131.08575	1.3
133.02844	0.7
133.06454	1.3
133.10121	10.0
135.04407	13.3
135.11671	2.1
136.04721	3.7
137.05957	1.0
137.09613	1.1
143.08568	1.5
145.02853	9.7
145.04936	1.3
145.10088	1.2
146.03197	3.3
146.09219	1.2
147.04431	5.5
147.08040	5.8
148.04741	1.0
150.12781	2.5
151.07516	1.1
151.11169	0.8
155.08316	0.7
157.10193	0.7
159.02846	0.7
161.05991	1.8
161.09576	5.7
163.03897	100.0
163.11067	1.2
164.04228	40.2
165.04362	1.4
165.09088	7.6
167.07097	0.8
171.11694	0.8
177.05460	2.6
177.09061	0.8
179.10660	6.5
181.04889	1.1
184.07327	8.3
186.05553	0.8
189.09122	5.4
191.03328	3.3
192.03786	1.4
207.10150	9.1
213.03897	2.4
225.11209	20.0
229.04958	2.2
230.05310	1.2
231.04990	3.0
257.04428	30.5
258.02072	1.4
258.04785	25.4
259.05179	1.6
281.14554	1.0
281.17429	7.6
285.03925	10.8
286.04422	11.6
287.05206	6.0
288.05685	2.1
289.17993	1.7
313.17896	1.3
331.18988	8.0
343.24634	0.6
345.16794	1.0
349.20071	50.0
350.20340	1.8
367.21094	5.5
374.23093	1.3
387.14368	0.8
392.23859	1.9
447.06937	1.2
447.55899	0.7
448.07587	5.0
481.11438	1.1
494.25705	0.9
560.27716	0.7
583.95050	0.7
604.32416	1.9
640.35651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.2
51.11369	1.0
52.99216	1.1
53.03937	4.7
55.01864	2.7
55.05267	1.3
55.05514	22.3
57.03429	2.9
57.07064	3.7
59.04983	1.3
65.03936	4.1
67.05503	97.0
68.78085	1.3
69.03406	1.2
69.07066	22.6
70.35954	3.6
71.05012	18.3
73.06540	1.2
77.03902	1.4
79.05491	67.1
79.73061	0.9
81.03410	1.9
81.07056	100.0
83.04977	4.8
83.08615	12.3
85.06544	19.6
91.05477	39.1
93.07041	79.9
95.04967	8.5
95.08604	61.7
97.06521	10.1
97.10164	9.1
98.21386	1.3
99.08089	22.9
105.07026	33.0
107.04971	1.4
107.08597	49.2
109.06514	4.8
109.10158	23.6
111.08076	4.9
111.11681	1.0
113.09583	1.5
115.05424	1.6
115.07544	1.9
117.07011	10.3
119.08576	25.7
121.10141	70.3
123.08047	3.3
123.11702	4.2
125.09631	5.4
129.07019	3.4
131.08563	17.5
133.10130	19.3
135.08081	3.0
135.11693	66.7
137.09615	3.9
137.13280	1.3
139.11208	3.7
140.07281	1.2
143.08562	4.4
144.09195	1.3
145.10120	13.6
147.11691	14.6
149.09637	4.2
149.12175	1.8
149.13266	19.6
151.11177	3.7
157.10146	3.0
159.11699	15.7
161.13272	11.8
163.03925	1.3
163.11166	9.2
163.14818	4.7
165.12759	2.7
171.11665	7.6
173.11777	2.6
173.13271	10.1
175.14836	5.2
177.12787	9.6
179.14346	2.2
181.12201	3.3
185.11771	1.6
185.13214	5.9
187.14914	1.8
189.11197	1.3
189.12677	1.4
189.22183	1.0
191.14259	2.3
193.15910	4.0
193.68864	1.1
195.13831	5.8
199.14844	2.4
203.12682	2.4
207.13905	1.1
208.17932	1.1
209.15384	4.4
217.19458	1.5
220.03656	1.4
221.15378	1.5
235.16925	2.8
241.19521	10.5
249.21951	1.1
255.77841	1.1
259.20566	18.3
277.21616	37.9
291.23215	19.2
295.22720	11.0
309.24188	11.0
313.23642	1.5
327.25150	1.7
331.24765	1.4
337.27341	4.4
369.19659	1.6
541.35620	1.3
639.22516	3.2
639.49213	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.0
55.01869	4.9
55.05510	16.5
57.03432	9.0
63.27919	1.3
65.03950	3.0
67.05509	22.1
69.03429	14.8
69.07073	7.1
71.04994	6.9
71.60646	1.6
73.02946	1.1
74.06089	1.6
79.05493	21.7
79.05909	2.1
81.03419	100.0
81.07052	27.1
82.03767	1.2
83.04980	17.6
83.08623	22.4
85.02906	20.3
85.06540	1.6
91.05484	35.7
93.07050	17.7
94.07415	1.6
95.04971	26.6
95.08603	7.8
97.02901	18.9
97.06517	5.9
97.10154	5.7
99.04460	4.9
99.08085	1.2
103.05479	2.4
105.06360	0.9
105.07031	26.2
107.04955	8.6
107.08604	12.0
109.02878	34.4
109.03584	2.3
109.06532	4.4
109.10149	5.5
111.04440	16.2
111.08101	12.1
113.06049	1.7
115.05443	2.5
117.07047	4.0
119.04953	24.2
119.08575	25.0
120.72219	1.1
121.06523	4.3
121.10136	11.7
123.04463	2.7
123.08087	5.3
123.11742	2.7
125.09631	13.4
127.03922	19.4
129.05507	1.8
129.07013	11.6
131.04990	3.2
131.08569	11.9
133.06499	5.4
133.10127	12.6
135.04477	1.6
135.08061	2.3
135.11722	5.3
137.06021	4.4
137.09657	2.8
142.07771	2.4
143.08586	2.8
145.04999	1.7
145.06516	2.2
145.10100	5.8
147.04413	80.7
147.08044	8.2
147.11699	15.2
148.04784	2.9
148.24658	1.1
149.06042	1.9
149.09648	6.0
151.11220	1.3
153.12766	2.7
155.08452	1.1
157.10147	12.3
159.08127	3.9
159.11821	1.4
161.06041	2.0
161.09657	4.1
163.03893	1.4
163.07617	2.3
163.11247	5.1
165.09155	4.1
165.12704	5.7
171.11729	1.4
173.04549	1.2
173.09662	1.5
175.07547	2.9
175.11162	12.9
179.10674	3.9
181.12257	3.5
182.00697	1.3
186.05949	1.2
187.07648	2.5
189.05563	1.3
189.09161	5.1
189.11139	1.4
191.10728	3.7
193.12251	39.9
199.11234	2.3
205.12292	1.4
207.10129	5.7
211.13295	60.9
215.10725	1.8
225.11217	11.1
227.12813	5.1
229.14336	1.5
249.15053	1.8
255.06665	1.8
259.13315	1.7
267.15939	19.4
271.09705	1.4
273.15051	2.4
277.14307	1.2
283.15610	2.9
285.17001	13.6
301.14380	7.5
315.19562	1.3
319.15628	1.9
331.19098	2.9
337.16556	3.0
349.20151	2.6
355.17728	6.8
366.34900	1.2
367.23160	1.8
375.18106	1.6
385.23929	3.4
391.21262	1.8
393.19171	2.6
411.20352	7.1
429.21234	3.2
457.52328	1.3
459.27536	11.5
475.23428	2.2
477.28558	15.6
495.29547	21.0
511.28674	1.6
561.30701	2.0
573.30951	1.9
585.30585	5.3
591.31372	1.4
603.31598	3.7
621.32684	16.1
622.33093	1.9
635.67334	1.4
639.33795	54.7
640.34094	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.02462	0.5
60.10935	0.4
67.05502	1.1
69.93784	2.4
79.05521	0.5
81.07051	0.8
91.05460	0.4
93.07037	0.7
94.06581	0.5
95.08617	0.7
105.07024	0.6
107.08637	0.6
110.35083	0.4
111.04243	0.6
119.08602	0.7
121.10156	0.4
127.03687	0.7
133.10150	0.7
140.01985	0.4
152.66112	0.4
155.06705	0.6
163.03955	0.4
183.52060	0.4
204.16049	0.4
214.46844	0.5
218.35368	0.4
223.12254	0.5
279.60626	0.5
368.48846	0.4
377.17636	0.6
389.17999	0.5
391.19159	1.6
392.20413	0.4
393.21054	0.8
404.20352	0.7
405.16742	1.3
405.21481	2.8
406.21448	1.2
407.22833	3.0
418.17566	0.8
419.18298	2.3
420.18967	0.8
421.19788	2.3
431.23743	0.5
433.20172	7.8
434.21030	3.2
435.22229	4.7
436.22809	0.6
445.20349	0.7
446.21176	0.7
447.21851	1.4
449.19531	3.9
450.20135	0.9
451.21561	0.7
452.21942	0.4
460.22433	0.6
461.23975	0.9
463.21252	1.9
464.22067	1.9
465.22879	9.2
466.23138	0.8
475.20532	0.7
477.18582	0.7
477.26608	0.5
479.24188	1.5
480.24988	0.6
481.22513	0.5
487.21295	0.5
488.21973	0.7
489.22556	0.7
491.20935	1.6
492.21497	3.1
493.21844	2.9
501.23148	0.5
503.24548	5.7
505.22467	2.4
507.24133	1.9
519.23669	1.2
520.24719	0.6
521.25507	9.5
522.25812	0.6
523.26855	1.1
533.22681	0.6
537.24585	1.9
547.23206	1.7
548.24200	1.1
550.25183	0.6
551.26239	0.9
553.29382	0.6
561.25018	1.0
564.23907	0.7
565.16254	0.8
565.24493	11.4
575.22797	1.6
579.26086	16.6
580.26672	5.0
581.27374	1.2
597.26501	0.7
607.25519	10.1
608.25500	0.6
611.27899	0.7
621.26764	0.7
639.27911	100.0
639.40332	20.5
640.28314	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	639.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59582	5.1
67.05490	7.6
69.07051	5.8
71.58855	6.7
71.59276	7.5
73.74134	5.2
110.19503	5.4
112.59977	5.3
136.14803	5.5
220.80803	6.5
251.12033	6.3
405.20709	12.0
419.22717	10.1
449.19489	7.3
456.14661	6.4
468.79373	7.0
478.23596	7.2
479.24326	26.1
493.25723	22.4
523.23590	11.3
537.24786	28.6
551.26703	13.6
552.27374	48.5
580.26532	8.0
607.25446	9.0
621.26807	8.6
639.27985	100.0
639.46753	17.2
639.81976	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	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
69.51874	7.8
98.20825	2.2
141.78047	1.0
148.43692	1.1
172.35292	1.0
181.50330	0.9
192.60406	1.0
391.19171	2.0
398.63824	1.1
405.20581	7.8
406.21548	4.8
420.23279	4.0
421.23984	4.5
433.20044	1.9
447.21219	1.6
449.19913	1.3
450.20392	2.5
452.22113	3.3
465.22897	30.3
475.25510	2.4
477.26706	1.8
478.23923	1.4
479.24503	5.5
480.25180	3.5
488.21878	2.2
491.20642	1.5
492.21606	1.7
493.26285	2.7
503.24438	20.3
505.22186	1.7
521.25665	12.3
537.24939	5.9
547.23438	1.6
550.22491	1.4
565.24445	52.0
566.24854	1.7
580.26978	11.6
607.25537	14.4
639.28101	100.0
640.28455	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01877	0.4
55.05507	0.4
60.29518	0.3
66.96575	0.3
67.05507	0.9
69.07033	0.5
71.61340	0.3
79.05483	0.4
81.07061	0.5
91.05491	0.4
93.07039	0.3
95.08620	0.5
105.07018	0.7
109.10137	0.3
145.10194	0.3
159.11685	0.3
204.06668	0.6
224.13103	0.4
225.10350	0.5
237.10268	0.5
239.11893	0.5
248.56560	0.3
249.10316	0.6
251.08342	0.3
251.11841	0.4
252.79416	0.3
298.13318	0.3
311.14075	0.3
314.12997	0.3
326.13156	0.4
330.15945	0.5
340.10870	0.5
340.14545	0.5
342.15955	0.4
379.15314	0.4
382.15683	0.4
392.16458	0.4
393.17017	0.9
393.21021	0.7
405.16946	0.7
406.17612	0.6
407.18585	1.9
417.17029	0.5
419.14157	0.4
419.18948	0.9
420.15018	0.6
420.19748	1.2
421.20435	5.1
422.21231	1.4
423.22110	0.6
431.18869	0.8
432.19547	0.4
433.16522	0.9
433.21088	0.6
434.16644	1.7
435.17184	2.3
435.22964	0.7
436.22775	2.2
445.16452	0.6
446.17038	0.4
447.17126	0.4
447.22015	1.0
448.18771	1.9
449.19702	9.0
450.20419	3.3
451.21796	0.3
458.20953	0.4
459.18436	0.9
460.18872	0.4
461.19766	1.7
462.20401	0.9
463.21716	5.2
464.22223	4.7
465.22888	1.2
473.19583	0.6
474.20221	0.9
475.21716	2.0
476.18338	0.3
477.18692	4.7
478.19974	2.6
479.21024	1.2
491.20938	1.1
492.21323	0.8
493.22324	0.9
495.23981	0.3
501.22458	0.4
505.22086	1.1
507.23761	1.2
509.21396	0.5
519.24182	0.5
521.22095	1.1
523.23279	1.9
533.21783	0.5
535.23590	3.3
536.24414	1.9
537.20709	1.4
547.23285	0.5
549.21124	0.7
550.25470	1.0
551.26813	3.3
561.24976	3.9
562.25195	0.4
563.23041	0.5
564.23572	4.1
565.24603	2.5
567.26086	0.5
578.25415	0.3
579.26038	6.5
581.24316	0.9
589.24152	0.4
593.27625	0.5
595.25610	3.2
596.26135	0.9
597.27179	0.5
607.25366	0.8
610.27612	0.6
611.28717	0.7
611.37793	0.4
617.21985	0.3
621.27216	3.0
621.42218	0.5
622.27112	0.7
624.25800	5.2
625.26044	0.5
639.28137	100.0
640.28381	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	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.97379	0.9
53.31611	0.8
64.51541	0.8
71.60020	1.6
103.20570	0.9
142.49550	0.9
178.09702	0.8
218.25211	0.9
219.17375	1.1
391.19498	1.3
392.19904	1.0
405.20813	3.0
406.20969	1.2
407.22281	4.3
418.34756	1.0
419.22220	2.1
420.23135	1.6
421.23917	5.3
433.24097	1.7
434.24084	1.3
436.19098	1.2
449.27469	1.2
451.21396	4.3
452.22357	1.6
465.22894	7.0
487.21237	1.2
503.24429	4.7
507.27527	3.7
535.26978	7.6
536.27692	1.2
537.25092	2.8
551.26660	2.3
552.27502	10.8
553.27649	1.2
561.25311	1.9
579.26288	6.6
580.26587	2.2
595.29004	5.8
621.27124	16.2
639.28113	100.0
640.28369	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	639.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.01855	3.1
55.05507	5.2
55.93491	0.7
57.03415	1.4
59.04988	1.5
63.02383	0.8
65.03924	2.1
67.05496	14.1
69.03423	13.9
69.07061	5.2
70.78004	2.4
71.04976	4.1
73.02885	0.8
79.05482	10.7
81.03410	26.7
81.07047	17.9
83.01338	1.3
83.04967	4.7
83.08604	1.5
85.02884	3.9
87.04464	1.1
91.05470	19.1
93.03374	0.8
93.07036	22.8
93.07623	1.3
95.04967	5.7
95.08595	21.4
97.02882	22.6
97.06522	4.2
99.04443	6.2
101.69730	0.8
103.05464	1.5
105.07020	31.4
107.04937	8.8
107.08585	30.6
108.17610	0.8
109.02869	74.1
109.06499	9.7
109.10149	21.0
109.80020	0.7
111.04430	15.2
111.08056	4.8
113.05983	2.4
115.03880	1.2
115.05443	2.1
117.03392	1.6
117.07014	5.4
119.04961	4.9
119.08569	53.0
121.06467	5.7
121.10142	14.4
123.04417	2.6
123.08048	10.9
123.11710	6.9
125.05968	2.0
125.09626	0.8
127.03905	100.0
128.04247	1.0
128.06229	2.9
129.06998	3.7
130.07762	0.9
131.04950	1.5
131.08548	8.4
132.05704	0.8
133.06482	21.6
133.10114	44.1
135.04428	3.5
135.08046	9.8
135.11690	7.3
137.05980	1.9
137.09605	5.0
139.07509	1.4
141.07002	1.1
142.07782	2.1
143.08533	9.8
145.02838	2.9
145.04938	7.9
145.06470	2.6
145.10104	11.0
146.07280	1.1
147.04398	1.2
147.08028	22.5
147.11656	3.2
149.05988	1.5
149.09592	6.3
151.07529	1.1
151.11176	4.8
155.08533	2.4
156.09372	2.1
157.06406	1.1
157.10114	6.7
159.08037	2.7
159.11674	10.7
161.05988	2.0
161.09598	27.2
161.13231	1.7
163.03893	80.9
163.07535	2.0
163.11163	7.6
164.04207	1.6
165.07002	1.3
165.09093	25.8
167.08530	1.5
169.10114	3.9
170.10875	1.2
171.08047	1.4
171.11668	7.4
173.09618	3.0
173.13231	3.9
175.07591	1.4
175.11183	2.5
175.14812	1.4
177.05457	2.0
177.09071	1.9
177.12694	0.9
179.08438	0.9
179.09012	1.4
179.10666	21.0
181.04982	1.1
181.10092	3.3
183.11746	2.1
184.12329	0.7
185.09578	5.5
185.13177	3.8
187.11147	3.8
187.14833	1.9
189.09093	21.7
189.12724	1.6
189.16350	1.2
191.10666	2.3
193.10162	0.9
193.12267	1.0
195.11694	1.9
197.09637	1.3
197.13281	2.6
199.11148	9.0
199.14841	3.4
201.09023	1.0
201.12730	1.4
203.10612	1.8
205.12210	1.8
205.15953	0.9
207.10144	28.5
209.11566	1.6
209.13298	1.9
211.11195	1.0
211.14815	2.4
213.09210	1.1
213.12720	0.8
215.10663	1.1
217.12248	5.3
219.13820	2.9
221.11642	1.1
222.14091	0.8
223.11267	1.3
223.14793	1.4
225.11191	69.8
226.11588	1.4
227.17938	1.6
237.12752	1.4
237.16446	2.2
241.12396	0.9
241.19487	0.9
249.11263	2.1
251.17963	3.1
253.19649	1.2
255.17464	2.8
259.13168	1.3
267.12265	25.7
269.18851	4.2
273.18451	2.7
279.12274	0.8
279.17493	3.4
285.18417	0.8
287.05518	2.6
287.16907	1.1
287.19888	4.7
295.17026	0.9
297.13434	1.7
297.18430	13.5
307.08170	0.9
313.18030	1.9
315.12250	1.1
315.19537	24.4
331.18970	2.0
333.13269	21.5
333.20135	4.0
351.14365	10.1
357.20319	1.2
375.21637	2.4
405.21515	0.9
423.21683	2.1
441.22705	7.3
459.23532	3.5
487.96524	0.8
512.18976	0.8
639.27869	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.1
52.20590	0.1
53.03936	0.2
55.01868	0.2
55.05503	0.3
63.02375	0.2
65.03945	0.4
67.05500	0.4
68.99802	0.6
69.03420	0.5
69.07068	0.2
71.59573	0.2
72.08150	0.1
79.05503	0.9
81.03412	0.5
81.07056	0.7
83.04975	0.4
83.08614	0.2
84.65981	0.1
85.02887	0.3
85.06528	0.1
89.03919	3.2
91.05473	1.3
93.07043	0.7
95.04961	0.5
95.08602	0.5
97.02909	0.6
97.06550	0.2
99.04487	0.1
103.05505	0.2
105.03416	0.2
105.07037	0.7
107.04961	1.4
107.08599	0.7
109.02879	1.5
109.06510	0.2
109.10159	0.5
111.04439	0.3
117.03380	4.4
117.06985	0.2
119.04950	2.1
119.08585	0.8
121.02866	1.4
121.10123	0.5
123.04468	0.2
123.08051	0.2
123.11679	0.2
125.09627	0.8
127.03909	1.3
129.06984	0.1
131.04924	0.2
133.02867	0.2
133.06499	0.6
133.10139	0.7
134.03629	0.3
135.04422	11.6
135.08058	0.2
135.11674	0.2
136.04790	0.1
137.06090	0.1
137.09570	0.1
143.08566	0.2
145.02849	8.6
145.06497	0.5
145.10100	0.2
146.03302	0.1
147.04413	6.5
147.08015	0.2
149.09596	0.1
153.01811	0.3
155.04837	0.1
157.10147	0.2
159.04437	0.2
159.08101	0.1
159.11646	0.2
161.05992	0.7
161.09645	0.5
163.03909	100.0
164.04247	2.1
165.09120	0.3
167.06987	0.1
173.05978	0.7
177.05518	0.3
179.10617	0.2
185.09471	0.1
185.18690	0.1
186.05508	0.4
187.03894	0.5
189.09103	0.4
191.03387	3.0
199.11148	0.2
201.05440	0.3
201.12770	0.1
207.10182	0.5
213.05342	0.2
225.11237	1.0
229.02840	0.2
229.04964	2.9
257.04462	42.1
258.04971	2.0
269.04254	0.2
283.05795	0.2
285.03949	13.0
286.04703	7.4
287.05444	1.3
291.26498	0.1
315.19476	0.2
316.34467	0.1
331.18997	0.2
333.13440	0.2
349.19952	0.2
419.07520	0.2
429.05914	0.1
447.07153	4.6
448.07391	0.3
458.06146	0.1
583.68280	0.1
584.41437	0.1
639.21332	0.2
662.55426	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	637.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
61.77371	1.0
63.00023	1.1
65.03925	1.2
67.05503	16.9
69.03430	2.2
69.07057	4.9
70.75788	1.2
70.76111	2.3
74.70556	1.1
79.05497	3.8
81.07065	11.2
83.05007	1.3
83.08604	2.0
87.04445	1.3
91.05476	4.5
93.07044	7.9
95.04976	5.4
95.08610	27.8
97.02876	1.2
105.07038	10.0
107.08595	17.6
109.06503	2.7
109.10153	100.0
111.04424	2.6
113.05975	1.2
117.07055	1.4
119.08581	16.9
121.06522	6.3
121.10139	8.9
123.08059	1.9
123.11727	5.0
126.16895	1.0
131.08556	2.6
133.06522	3.5
133.10124	15.5
135.08072	2.0
135.11702	3.2
137.05852	1.2
143.08572	2.5
145.10107	7.7
146.07303	1.7
147.08041	4.8
147.11690	33.8
149.13266	2.2
157.10139	3.7
159.11723	5.6
160.08818	6.8
161.09612	2.2
161.13242	4.6
165.12775	3.7
171.11710	3.9
173.06099	1.1
173.09654	2.1
173.13272	5.2
175.11186	56.0
175.14825	4.0
179.10669	3.1
185.13283	3.5
187.11200	2.3
187.14828	4.8
189.12701	1.4
189.16389	5.1
190.38109	1.2
191.10651	3.2
193.12247	28.6
199.14745	1.6
201.16461	4.4
205.12344	1.2
209.13124	1.2
213.16371	7.2
219.13754	1.5
227.14297	1.2
231.13698	1.3
241.15889	2.1
241.19493	2.1
255.21069	6.5
257.22787	1.3
259.16928	3.0
265.19586	1.5
283.20609	6.2
301.21616	62.6
302.21848	1.5
319.22678	64.9
396.45825	1.1
450.40588	1.4
457.72617	1.2
475.30927	1.6
637.25726	1.2
637.38702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.7
54.06631	1.3
55.01875	11.8
55.05512	26.6
57.03440	9.5
57.07061	1.6
59.05022	1.8
61.02929	2.9
65.03960	2.7
67.05508	36.7
69.03429	23.1
69.07066	12.5
70.00365	3.2
70.00774	5.0
71.01369	2.5
71.04992	10.1
73.02901	2.1
79.05496	35.1
81.03419	100.0
81.07057	34.5
83.01358	4.5
83.04987	29.3
83.08620	22.5
85.02905	20.6
85.06538	2.9
91.04901	1.5
91.05486	31.9
93.07046	32.4
95.04974	24.8
95.08615	16.8
97.02903	18.9
97.06509	6.7
97.10170	10.5
99.04481	7.4
103.05460	2.2
105.06375	2.6
105.07024	22.7
107.04967	16.3
107.08601	20.2
109.02887	23.1
109.06532	8.8
109.10175	10.0
111.04436	19.7
111.08088	6.3
113.06007	1.5
115.05441	2.2
117.07027	10.9
119.04928	2.7
119.08584	21.7
121.06509	5.5
121.10144	12.4
123.04417	4.6
123.08068	7.4
123.11719	4.4
125.02345	1.4
125.06029	2.5
125.09618	7.9
127.03903	15.1
128.06219	2.6
128.99677	1.5
129.05536	2.5
129.07021	11.5
131.04933	3.8
131.08575	10.7
133.06485	6.3
133.10118	11.7
135.04440	2.2
135.08084	3.7
135.11687	11.6
137.06018	2.6
137.09631	1.9
143.08585	4.7
145.02805	2.7
145.06531	2.8
145.10106	13.5
147.04457	3.2
147.08041	8.2
147.11673	11.3
149.06013	3.1
149.09630	4.8
151.07529	2.0
153.09048	2.0
153.12715	9.0
155.08510	3.0
157.06520	1.8
157.10130	11.8
159.08066	1.8
159.11700	2.4
161.05960	4.9
161.09628	1.4
163.03900	2.1
163.11176	18.5
165.09067	3.0
165.12775	2.6
167.07098	2.1
171.08026	1.6
173.04468	3.7
173.05919	3.1
173.09644	3.7
173.13206	1.5
175.11194	7.3
177.05496	6.3
181.10161	1.6
181.12273	6.3
183.06474	1.4
189.09215	1.5
189.11259	4.0
191.10710	6.4
193.12238	25.2
201.05293	1.5
205.12276	2.6
209.11800	4.6
211.11302	1.6
211.13293	35.9
227.12735	16.2
229.14389	2.7
231.10144	1.7
231.13774	2.3
243.13806	2.3
249.14871	1.7
265.14349	3.3
267.16000	9.9
271.13239	2.0
273.14935	4.8
283.15411	14.2
287.09271	3.5
289.14420	3.6
301.14340	2.4
337.16513	3.8
353.16083	5.4
355.17477	5.5
365.20917	1.6
383.22223	6.4
401.23398	4.6
409.18640	3.9
411.20255	5.4
427.20135	2.4
457.25830	13.8
475.26959	36.3
493.28098	13.7
517.27832	2.2
588.82648	1.6
601.30261	3.2
619.31195	10.7
637.32123	86.2
638.32471	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	637.302
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52119	3.4
72.94435	1.3
125.79700	1.7
131.73817	1.6
170.76511	1.5
403.19391	1.7
417.21054	2.1
431.18524	2.9
445.20151	7.7
446.21170	2.4
458.21176	5.8
459.22025	5.4
460.22849	5.8
461.19604	3.0
475.21692	2.4
475.95682	1.9
477.23193	2.7
518.23370	5.4
531.23798	1.9
533.25317	2.9
545.25464	3.1
577.28015	2.6
587.22900	2.5
605.27850	12.6
619.25488	1.9
637.30267	100.0
638.30402	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26741	2.5
51.77416	2.5
57.23577	2.3
67.05506	2.8
68.23054	2.4
69.07054	2.9
71.58735	3.4
81.07031	3.0
81.42005	2.5
105.07079	2.5
107.08566	3.1
163.52625	2.6
195.09157	5.7
208.09941	3.1
210.11516	6.0
223.08714	3.6
223.12305	7.8
224.09312	15.7
225.10220	7.1
225.13768	4.9
235.08601	5.3
237.10225	6.0
238.10976	3.2
251.07953	3.9
251.11916	3.7
253.13359	15.3
256.11948	3.2
264.08917	4.6
266.10516	3.1
269.09338	2.7
271.14392	3.4
279.11255	5.2
281.09250	3.3
291.07730	4.2
297.12341	4.2
300.11478	2.7
303.79675	2.7
313.27304	3.4
325.11743	4.0
351.09717	11.4
369.10828	27.3
372.55551	3.0
390.12091	2.9
517.22174	5.4
525.40546	3.5
539.42725	4.8
577.24365	29.7
605.23859	100.0
637.26355	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	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57899	1.1
88.71225	1.1
115.55701	1.2
134.44148	1.1
167.79544	1.1
205.74289	1.0
311.90991	1.2
405.20856	2.7
406.21625	2.9
415.19336	2.9
419.22427	1.8
420.23245	2.8
421.23724	5.8
425.98532	1.2
429.20941	8.3
430.21594	1.7
433.20212	1.8
443.22333	2.6
444.23163	1.7
445.20367	1.4
446.20685	1.4
456.19601	1.4
457.24210	2.2
458.24731	2.9
459.21832	3.7
460.23029	2.8
461.19757	5.1
472.22604	3.7
475.21368	1.9
476.22134	3.2
485.23514	5.9
488.21750	1.8
503.24448	11.7
513.22638	1.6
517.26190	3.5
535.27051	14.4
545.25537	40.8
545.33575	2.1
546.26038	4.6
563.26758	3.4
573.24915	9.7
574.25201	1.3
605.17798	2.4
605.27600	44.6
606.27570	2.6
637.30225	100.0
638.30603	8.2
648.22504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2657
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
58.79858	0.6
65.74352	0.6
67.05494	0.9
71.60931	1.0
71.62299	0.6
73.66778	0.8
79.55610	0.7
94.61262	0.6
123.22856	0.6
141.60313	0.6
145.34396	0.6
206.96298	0.6
221.10878	0.7
255.00905	0.7
375.16147	0.9
387.16534	0.7
388.16968	1.0
389.17651	1.7
390.18829	0.9
401.17770	1.5
402.18997	0.8
403.19180	1.8
404.19803	1.0
405.20926	1.0
417.16544	1.4
417.21289	1.9
419.22473	2.5
429.16968	1.2
430.17691	0.8
431.18646	2.4
432.19275	1.0
443.19525	0.8
444.19476	1.2
445.20178	6.2
446.21185	2.3
447.21725	2.4
448.19373	1.0
457.16623	0.8
461.16205	2.7
463.21561	3.5
473.19534	0.8
475.18008	1.5
476.18140	1.5
477.19305	1.8
489.19418	2.1
490.19769	7.4
491.20813	10.7
503.20618	3.6
505.26447	0.8
517.22394	2.0
518.56781	0.8
533.25543	6.3
535.20581	0.8
549.24561	1.1
577.24512	25.4
578.24896	1.3
593.27661	1.1
605.23676	1.2
619.25812	1.2
637.26550	100.0
638.26599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35615	0.7
55.05503	1.4
57.03429	0.9
57.07067	1.9
64.47509	0.9
67.05492	3.3
67.05833	0.8
69.07082	0.9
71.08631	2.7
71.58823	1.7
79.05519	1.6
79.37395	0.9
81.07066	3.3
83.08588	1.3
85.10185	1.4
91.05507	1.2
93.07043	1.3
95.08614	3.8
98.98494	1.0
105.07066	1.2
107.08602	1.1
109.10168	2.8
121.10120	1.2
135.11685	0.9
155.01112	1.2
165.12781	1.0
177.41095	0.9
209.11819	1.5
254.79274	1.0
266.25253	0.9
283.15308	1.0
324.79877	1.0
363.16190	1.3
377.17767	1.1
387.15979	1.9
389.17630	1.4
391.19308	2.4
392.19864	2.7
393.20795	3.3
400.17157	1.9
401.17621	2.3
403.19424	1.3
406.21738	1.0
407.22198	5.9
413.17853	1.6
414.18518	2.7
415.19348	6.6
419.18488	1.4
421.20340	3.6
427.19333	1.9
428.20142	2.7
429.21179	6.3
430.22382	2.2
431.18723	1.3
433.20697	1.6
435.21912	4.5
439.19107	1.1
442.17831	1.3
443.18741	2.9
444.19458	3.1
445.20447	2.0
447.18188	3.3
456.19760	1.4
457.20239	3.0
458.21384	2.2
459.18060	2.0
461.19885	1.4
469.16400	1.1
471.22519	4.7
472.22855	2.4
473.19955	3.6
474.20410	1.6
475.21619	1.4
484.19266	1.1
485.20007	2.6
486.20441	4.2
487.21368	3.3
489.18079	1.5
489.23300	3.2
490.13049	1.0
490.20016	3.8
499.21481	7.4
500.22366	2.5
501.18860	1.2
503.25110	1.7
513.19159	5.1
517.22485	10.2
521.25714	1.7
521.38959	1.1
527.21393	2.1
529.22681	2.3
531.24524	7.8
539.39417	13.3
545.21826	1.3
549.24902	6.0
559.23431	53.2
577.24487	2.0
587.22827	11.6
591.25848	2.9
605.24060	5.9
619.25537	60.5
637.26538	100.0
638.26691	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
50.62152	0.6
50.90199	0.6
70.38955	0.6
70.93251	1.8
114.52503	0.6
129.58710	0.6
194.71983	0.7
237.10411	0.8
293.69644	0.6
312.40393	0.7
377.17487	0.7
386.15454	0.8
388.17542	0.9
391.19324	0.9
393.20712	1.9
399.16153	1.0
400.17093	1.8
401.17642	2.8
407.22437	2.6
413.17856	2.4
414.18420	3.7
415.15356	0.6
415.19321	6.5
416.20270	0.9
417.21143	1.4
421.20300	1.8
423.16351	0.8
425.17688	0.8
427.19644	1.3
428.20105	2.0
429.21399	6.0
430.21597	1.3
435.21722	1.2
436.22357	0.7
439.19339	1.0
441.16986	0.8
442.17902	0.9
443.18524	2.8
443.22913	2.2
444.18692	3.3
445.20398	2.4
456.19427	1.4
457.20471	4.5
458.21094	3.3
459.22260	0.8
471.22220	6.4
472.23044	4.5
473.19327	4.3
474.20685	1.5
485.19730	2.3
486.20255	6.1
487.21359	2.5
488.22284	1.2
489.23178	1.1
490.20276	2.2
499.21298	9.0
500.22055	2.6
502.20145	1.3
503.25089	3.9
513.19312	0.9
516.21741	1.3
517.22345	2.7
527.21069	2.9
528.21948	0.8
530.23187	1.1
531.24054	11.3
543.23859	1.0
544.20966	0.8
549.24890	1.4
559.23438	79.2
560.23407	1.3
587.22968	12.7
619.25519	100.0
620.25909	1.5
637.26569	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	637.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57801	0.4
63.63402	0.5
67.05413	0.8
69.80618	2.4
69.81046	0.7
70.83948	0.5
76.59901	0.4
81.06974	0.5
81.88436	0.5
83.08558	0.5
84.21881	0.5
87.13785	0.5
95.08543	0.6
121.10085	0.5
133.67181	0.4
149.75812	0.5
181.21158	0.5
184.07285	0.8
202.15926	2.5
203.16122	0.8
220.16792	1.5
233.10478	0.6
254.18845	0.5
263.19067	0.4
300.13550	1.2
301.13788	0.6
324.14667	0.5
338.12326	0.5
352.14127	0.5
360.14783	0.5
374.16391	0.9
377.17572	0.7
386.15820	0.9
386.24930	0.5
387.16333	1.3
388.17841	0.8
389.17865	0.7
390.18988	0.7
391.19046	1.7
392.19891	0.9
398.16245	0.8
399.16302	2.1
400.16718	1.8
401.17834	4.3
402.18512	0.8
403.19003	1.4
405.20718	1.4
406.21552	0.6
407.22205	1.6
411.16263	0.8
412.16846	0.7
413.17688	2.6
414.18890	2.6
415.19385	7.3
416.19989	1.8
417.21387	2.2
418.18954	1.1
419.17816	2.8
419.23254	0.9
427.19101	1.8
428.20709	3.1
429.21625	4.4
430.22232	2.6
431.18573	1.7
433.20569	1.1
434.20938	1.5
438.20422	0.6
439.19724	0.6
441.17087	1.5
443.18085	2.4
443.22467	3.4
444.19196	4.5
445.19684	2.4
446.20889	1.6
447.17691	6.3
452.48016	0.5
455.18768	0.9
456.19385	1.8
457.21045	2.7
458.21298	3.1
459.18018	2.7
460.18600	0.8
461.18988	2.8
462.20367	3.3
463.25079	1.4
471.22470	9.7
472.18542	1.6
472.23447	1.0
473.19070	3.9
474.20505	4.8
475.16660	4.3
479.24142	0.5
484.18848	1.3
485.20071	2.6
486.20486	4.9
487.21283	0.7
488.22397	0.7
489.23459	6.7
490.19626	7.4
499.21335	22.7
500.18439	1.5
501.23212	7.4
502.20093	1.8
503.20895	3.8
507.24106	3.0
511.21112	1.4
513.19196	0.5
514.19965	1.4
516.21539	0.9
517.22394	20.6
518.20184	0.5
527.20697	3.4
529.22388	11.3
531.24170	0.8
533.21429	0.5
535.23450	12.9
539.39685	1.1
545.21863	48.5
546.22424	1.4
555.20129	1.7
559.23468	1.9
563.22998	5.5
573.21344	14.2
577.23956	1.0
605.23944	100.0
606.24060	2.3
619.25275	0.6
637.26556	69.6
638.26654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.5
57.07074	1.9
63.77348	1.0
67.05508	9.4
69.03417	4.0
69.06731	1.1
69.07072	15.6
69.40366	1.0
69.43154	5.5
69.43587	5.1
69.79558	1.0
71.04989	4.3
79.05492	7.2
81.03419	2.4
81.07057	18.1
83.04958	1.5
83.08608	8.7
85.02905	2.5
85.06541	4.5
91.05474	6.0
93.07047	17.3
95.04955	2.5
95.08607	33.2
97.02881	2.4
97.10172	7.6
97.92770	1.1
98.20708	1.1
99.08097	23.1
99.42690	1.1
105.07038	7.7
107.08599	32.0
109.06546	1.3
109.10160	9.2
111.04473	1.2
111.08092	9.3
113.09595	1.7
117.07011	3.2
119.08608	5.2
121.10149	46.5
122.10568	1.4
123.08115	1.2
123.11665	3.5
125.09641	5.9
129.07014	1.7
131.08559	3.3
133.10123	4.2
135.11705	10.2
137.13293	6.6
145.10098	2.5
146.46716	1.2
147.11650	1.6
149.13272	3.6
157.10023	1.4
159.11717	1.8
161.13310	1.3
171.11757	1.7
175.14755	1.8
177.16394	100.0
178.16701	1.4
182.21246	1.2
184.07437	1.7
195.17444	20.9
213.18501	42.6
223.14879	1.1
277.21637	1.5
280.96277	1.1
296.32043	1.1
369.24432	2.3
387.25162	3.0
405.26398	3.1
537.37982	1.9
635.40356	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	635.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
53.26579	1.4
55.01863	2.8
55.05505	13.0
57.03435	8.0
57.07071	4.4
64.09394	1.3
67.05495	13.9
69.03421	3.5
69.07069	11.9
71.04992	58.5
71.57191	2.4
73.02917	1.8
75.04479	6.0
78.12376	1.7
79.05502	14.1
81.03397	4.1
81.07058	33.5
83.04980	13.7
83.08596	7.2
85.02905	90.4
87.04478	2.6
91.05475	12.3
93.07053	28.0
95.04953	6.7
95.08607	52.1
97.02914	4.3
97.05983	1.3
97.06541	6.8
97.10166	4.3
99.04486	1.9
99.08104	2.7
105.07026	37.5
107.04926	1.9
107.08593	53.6
109.02876	9.0
109.06506	4.0
109.10152	39.5
111.04424	8.9
111.08082	5.1
117.07037	5.1
119.08581	74.5
121.10140	41.4
123.08060	5.1
123.11687	13.0
125.09623	16.7
127.03908	11.0
129.05470	19.1
129.06955	2.7
130.07771	1.5
131.08572	26.0
133.10126	50.9
135.08087	2.7
135.11674	22.9
137.09605	3.4
137.13271	2.4
139.07558	2.1
143.08568	7.9
144.09308	2.0
145.10118	55.5
147.06480	5.7
147.07964	1.4
147.11687	25.9
149.09599	4.3
149.13246	12.0
151.07596	1.5
151.11134	2.4
153.09081	2.7
157.10104	12.0
159.11687	43.1
161.09692	2.7
161.13258	31.0
163.03960	2.1
163.07579	1.5
163.11140	3.5
163.14830	19.5
165.09145	1.7
165.12759	2.1
169.10149	2.8
171.11676	11.2
173.13261	37.9
175.11191	3.1
175.14825	34.0
177.05473	2.8
177.12779	3.1
177.16382	22.8
179.10675	4.2
179.14195	2.8
183.11662	2.3
185.13281	8.5
187.14807	52.1
189.16376	53.2
191.14331	3.8
191.17957	14.4
193.15869	8.4
197.13232	5.5
199.14796	22.1
201.16380	86.4
202.16692	1.9
203.14255	2.0
203.17943	26.6
203.20866	1.7
205.15829	9.9
207.17433	3.9
211.14786	2.9
213.16394	24.3
214.79582	1.5
215.06937	2.1
215.17970	25.8
217.15895	10.0
217.19493	2.8
219.17444	31.5
221.15404	3.3
223.16983	2.2
225.11163	2.9
225.16422	2.4
226.11569	1.9
227.17941	4.6
229.19458	9.8
231.17433	9.6
233.15417	3.0
233.19038	5.6
235.16936	12.0
237.18654	2.9
239.17986	2.0
240.37471	1.7
241.19545	6.3
243.17360	1.9
243.21094	2.5
245.18933	2.8
247.16916	20.6
249.18419	4.3
253.19482	2.5
255.21182	2.8
257.19009	2.7
259.09607	3.1
259.16934	2.4
261.18561	17.6
267.21048	3.0
275.20120	4.3
279.21201	1.7
281.22675	6.0
283.24252	4.0
309.25708	1.8
327.23154	14.6
329.24857	3.7
341.24698	4.7
349.28827	1.9
377.32108	7.4
389.31998	13.8
391.33618	3.4
395.29102	2.4
407.33096	56.3
409.34866	7.7
417.31226	2.5
423.32556	14.2
425.34204	13.9
435.32599	70.3
441.33371	2.6
449.82288	1.7
453.33661	100.0
458.22571	4.4
471.34695	92.5
475.22888	2.0
476.23386	7.7
494.24542	3.0
635.29639	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	635.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05502	7.2
57.03435	11.7
57.07094	1.6
67.05508	10.2
69.03416	3.4
69.07057	10.0
71.04990	58.2
73.02923	3.2
75.04467	5.4
75.10260	1.6
79.05480	8.3
81.07057	29.7
83.04977	9.9
83.08606	4.1
85.02901	81.0
85.35732	1.6
87.04443	3.5
91.05480	9.6
93.07047	27.6
95.04960	4.2
95.08605	50.5
97.02852	2.7
97.06500	6.4
97.10174	3.8
99.04449	1.8
99.08086	3.0
104.32015	1.5
105.07025	30.0
107.08584	49.2
109.02825	2.7
109.06513	3.8
109.10149	36.9
111.04429	9.4
111.08064	6.0
111.48844	1.7
117.07001	5.0
119.08574	59.8
121.10144	38.5
123.08027	3.2
123.11723	9.7
125.09605	15.8
127.03899	2.5
128.04250	1.9
129.05470	17.8
129.06950	3.4
130.05952	1.6
131.08563	21.9
133.10129	42.6
135.08055	3.2
135.11688	22.0
137.09604	3.8
137.13283	2.3
143.08536	5.9
145.10121	45.6
147.06537	5.1
147.11685	23.4
149.09618	2.5
149.13225	15.3
151.11201	3.1
153.09091	2.4
157.10112	10.5
158.10880	1.9
159.11688	42.5
161.09619	2.6
161.13257	34.2
163.03917	2.8
163.11089	2.8
163.14822	20.9
165.12691	1.9
169.10165	2.7
171.11681	9.2
173.13255	30.7
175.14822	36.3
177.12643	3.3
177.16376	24.4
179.10718	2.3
179.14294	3.5
183.11684	3.0
185.13261	8.6
187.14810	65.0
189.16379	59.6
191.14308	4.5
191.17972	12.4
193.15941	8.3
197.13219	3.6
199.14844	23.6
201.16370	98.4
203.17958	25.9
205.15932	10.2
207.17503	4.2
213.16388	27.7
215.17953	28.5
217.15823	9.7
219.17421	33.9
221.15462	4.0
225.16400	3.7
227.17970	8.0
229.19469	10.5
231.17448	12.1
233.15417	3.2
233.18996	5.3
235.16910	11.3
237.18460	2.9
239.17989	4.7
241.19528	7.3
243.21161	4.6
245.19104	2.5
247.16957	21.6
249.18497	7.1
253.19504	4.7
255.21158	3.0
259.09705	2.0
261.18518	16.7
267.21097	3.9
269.22733	2.4
275.20062	4.2
281.22662	7.1
283.24185	5.9
327.23126	14.2
329.24673	3.5
341.24835	4.2
349.28787	2.2
351.26840	2.8
377.32013	5.9
389.32016	13.8
395.29108	4.1
404.58630	1.9
407.33145	50.5
409.34885	4.3
423.32538	14.6
425.34097	15.5
435.32584	66.2
441.33490	3.1
453.33630	100.0
471.34686	90.4
551.88361	1.8
635.30096	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70151	1.6
51.77396	1.5
53.03939	2.6
54.05041	1.7
55.05497	9.6
57.03429	12.6
57.07075	2.5
63.02415	1.8
67.05492	11.7
69.03428	3.1
69.07069	10.3
71.04993	64.0
75.04483	3.6
79.05495	10.5
81.07059	27.3
83.04996	9.0
83.08610	5.5
85.02902	97.3
87.04519	2.0
87.49458	1.7
88.06897	1.5
91.05489	13.4
93.07041	23.4
94.44549	1.6
95.04976	3.5
95.08601	56.9
97.06520	4.7
97.10133	5.4
99.08082	3.3
103.05479	2.0
105.07025	29.9
107.08595	52.0
109.06534	3.0
109.10151	37.0
111.04427	6.5
111.08106	8.2
117.07037	5.1
119.08578	64.0
121.10138	37.5
123.08035	3.8
123.11690	11.3
125.09640	14.7
128.06287	2.0
129.05472	16.2
129.06985	2.8
131.08577	22.8
133.10129	41.4
135.11679	21.5
137.06013	1.9
137.13293	2.3
143.08575	5.7
144.09378	2.1
145.10114	49.8
147.06499	6.0
147.07849	2.1
147.11668	20.6
149.09552	4.8
149.13240	16.2
151.11153	4.1
153.09070	3.6
157.10150	11.9
159.11700	41.0
161.13245	30.0
163.11240	3.7
163.14816	16.7
165.12730	1.9
165.16277	1.9
169.10121	1.8
171.11736	10.6
173.13255	37.3
175.14824	35.7
177.16365	25.4
183.11685	2.7
185.13243	6.0
187.14818	57.4
189.12782	2.2
189.16373	55.5
191.14340	4.8
191.17937	11.7
193.15842	9.1
197.13231	3.8
199.14821	24.8
201.16376	93.9
203.14395	2.5
203.17972	24.9
205.15807	9.9
205.19601	2.0
207.17400	3.9
211.14764	4.2
213.16385	27.7
215.17957	28.4
217.15918	12.6
217.19453	3.2
219.17435	33.9
221.15327	4.5
225.16383	3.6
227.17899	9.1
229.19455	10.2
231.17458	13.5
233.15233	2.1
233.18980	6.9
235.16924	11.3
237.18539	2.7
239.17938	3.4
241.19466	5.7
243.21144	3.0
247.16946	20.5
249.18480	5.1
253.19460	2.4
255.21017	3.0
259.16995	2.3
259.20615	2.4
261.18472	17.7
267.21118	1.8
273.18362	2.5
275.20044	5.7
281.22556	5.8
283.24240	5.5
307.24014	2.0
327.23227	18.4
329.24835	2.2
341.24716	6.0
349.28717	3.1
377.31833	5.7
389.32071	17.7
391.33701	3.4
395.29169	4.2
407.27698	3.1
407.33093	62.6
409.34561	6.4
423.32626	15.4
425.34061	17.4
435.32602	74.7
453.33612	93.9
471.34695	100.0
494.22693	1.9
527.33118	1.8
635.41400	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
56.96566	0.8
57.03436	0.4
61.02912	0.4
65.03946	0.2
67.05504	0.4
69.03436	1.1
69.51093	0.9
69.51502	0.6
70.06594	0.7
71.04993	0.3
73.02922	0.2
78.04716	0.5
79.05487	0.5
81.03407	0.4
81.07040	0.4
83.04962	0.3
84.04500	0.4
85.02899	2.3
85.06538	1.2
86.06071	0.2
86.09706	4.0
87.10037	0.5
91.05486	2.4
93.07054	0.6
95.04967	0.7
97.02892	1.0
98.97588	0.6
103.05450	0.2
105.07036	0.9
106.04180	0.4
107.04949	1.0
107.08614	0.3
109.02904	0.3
116.98621	0.4
117.03408	0.2
119.04937	3.2
119.08652	0.2
120.05312	0.3
121.06499	0.8
122.03652	0.3
123.04452	2.2
124.05189	1.0
125.06020	0.3
127.03943	0.4
128.98622	0.2
131.04929	0.3
131.08577	0.5
132.10161	0.3
133.06500	0.7
134.03619	0.4
134.99670	0.3
137.06013	0.5
145.02841	0.4
145.04964	0.6
145.10101	0.4
147.04408	16.2
148.04729	1.1
149.05991	1.3
149.09665	0.6
151.03941	0.4
151.11111	0.2
152.04703	0.7
153.12810	0.3
161.05936	1.0
163.03920	0.5
165.05473	0.3
167.07036	100.0
168.07382	1.3
177.00735	0.3
177.05453	1.2
179.07057	0.5
181.08600	1.8
183.54622	0.2
189.00710	0.3
191.07031	0.2
191.10707	0.9
193.05389	0.2
193.08601	4.7
193.10304	0.4
205.05354	0.2
209.08153	0.9
209.11751	1.3
211.06390	0.8
211.09648	24.7
214.06821	0.3
219.01801	0.2
221.04907	0.2
223.06447	2.7
223.09651	0.5
227.09149	0.9
227.12790	2.1
228.13174	0.3
237.02803	0.8
241.07434	1.3
245.18552	1.6
246.18860	1.1
247.06396	0.7
257.03296	0.2
265.07513	1.1
283.08472	1.2
301.75696	0.2
310.12909	0.2
327.12808	0.3
367.10669	2.7
368.10913	0.5
385.11438	0.2
427.12793	8.2
428.12976	1.3
431.30475	0.2
440.11362	0.4
441.06732	0.2
491.14331	0.2
509.05865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10087	0.9
51.28331	0.8
55.05530	0.9
56.05054	1.1
62.65065	0.8
70.06596	11.0
71.47630	0.9
71.58701	0.9
71.59061	0.8
84.08101	1.1
85.02898	1.1
91.05479	1.5
95.04993	1.1
101.54673	1.0
102.57320	0.8
103.05468	4.7
103.80568	0.8
105.07029	1.1
106.06551	1.9
108.08109	1.8
114.05545	2.8
115.05453	1.6
116.07088	8.8
117.06981	1.3
119.04958	2.9
127.03912	3.0
130.19337	0.8
131.04927	25.1
137.05968	13.1
140.07036	1.3
143.04942	1.2
146.03638	3.9
147.04428	7.2
148.05190	1.9
152.07025	0.9
160.05254	1.0
161.05978	25.8
162.06699	1.5
163.03856	2.0
163.06290	1.0
163.07576	4.0
167.07045	2.8
175.07568	5.1
179.07074	1.7
188.07045	1.3
198.09103	0.9
202.08682	1.2
216.10172	5.5
217.10953	4.5
230.11774	3.7
231.12486	1.4
235.48839	0.8
256.92221	0.9
258.11322	1.4
261.10004	2.7
276.12308	100.0
277.12662	1.5
292.91605	1.1
365.91574	1.0
472.19659	44.6
634.24908	29.7
635.25427	1.2
646.97522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36871	0.9
53.03947	4.0
55.01871	3.3
55.05511	19.9
56.65055	1.0
57.03441	5.9
57.07064	1.9
59.04992	4.1
65.03939	4.3
65.70246	1.0
66.18085	1.0
67.05506	100.0
69.03432	37.8
69.03815	1.7
69.07070	15.4
70.03030	5.3
71.01351	1.1
71.05001	5.4
78.67863	1.0
79.05494	33.5
81.03419	23.3
81.07058	46.2
83.04975	7.5
83.08634	11.2
85.02895	5.8
85.06538	4.4
85.94827	1.0
87.04470	2.1
91.04900	1.5
91.05477	34.0
93.07044	37.7
95.04971	15.2
95.08608	29.8
97.02872	6.2
97.06533	4.3
97.10181	8.5
99.04471	4.2
99.08097	1.9
102.92174	1.1
103.05478	1.9
105.04485	1.2
105.07036	24.8
107.04958	5.4
107.08588	22.0
109.02881	4.4
109.06554	6.9
109.10156	62.6
111.04436	6.4
111.08088	5.5
113.02368	1.0
113.05976	1.5
115.03985	1.0
115.05470	2.6
115.11479	1.2
117.07012	12.7
119.08582	25.3
121.06521	4.5
121.10141	16.7
123.08074	4.1
123.11720	2.6
125.09639	5.4
127.03915	3.2
128.06215	2.9
129.07005	8.7
130.07764	1.3
131.04930	1.5
131.08582	16.9
133.06540	2.8
133.10136	14.8
135.08060	5.1
135.10590	1.7
135.11710	8.2
137.06021	1.4
137.09608	5.4
141.07002	2.6
143.08575	9.6
145.06535	2.6
145.10110	15.1
147.08051	4.0
147.11679	9.2
149.06020	1.7
149.09639	3.5
149.13292	3.9
151.07512	1.2
151.11217	1.6
153.09146	1.9
155.08577	4.0
155.10687	3.1
155.88644	1.1
157.06522	1.9
157.10139	6.8
159.08073	4.3
159.11705	10.8
161.09642	4.6
161.13252	6.3
163.11186	2.4
163.14911	2.2
167.08525	1.6
169.10146	4.4
171.08101	1.3
171.11714	6.9
173.09605	2.7
173.11761	19.7
173.13297	5.8
175.11201	4.0
175.14861	1.5
177.12848	2.8
181.10056	2.4
183.08298	1.0
183.11694	3.0
185.09642	2.2
185.13290	4.4
187.11156	2.1
187.14841	3.2
189.11250	2.9
189.12802	2.3
191.10719	1.8
193.12366	1.3
195.11734	1.7
197.13303	2.7
199.11177	2.6
199.14888	2.8
201.12782	2.3
203.14378	1.8
205.12137	1.1
207.11772	2.2
209.13339	2.1
211.11316	1.1
211.14975	1.4
213.12772	2.5
215.14354	1.2
221.15462	1.4
225.16541	1.5
227.12663	2.4
229.12144	1.7
229.14346	21.8
231.13739	1.2
233.15201	1.8
239.18298	1.5
241.15837	1.1
243.21227	1.2
245.13687	1.8
259.20648	3.0
261.22220	1.9
263.14108	1.1
271.20654	1.9
273.22217	2.1
277.21704	4.8
285.22003	2.1
289.21710	2.6
299.15009	3.9
301.21588	7.6
315.23169	2.0
319.22739	2.3
323.23843	2.0
327.23221	3.6
341.24884	2.3
345.24277	1.5
349.98892	1.2
351.23233	6.6
355.17673	3.0
357.24393	1.8
369.24240	10.1
371.26227	1.5
387.25247	7.8
393.26288	1.8
405.26242	2.6
443.28183	5.2
461.29031	10.5
489.35907	2.3
523.34418	1.2
541.35309	1.2
547.36517	2.3
559.36407	1.8
597.37708	8.7
615.38654	10.7
633.40002	75.9
634.40216	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	632.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08057	0.2
55.05528	0.2
63.02398	0.4
65.03930	0.2
67.05502	0.2
69.70554	0.3
69.70963	0.6
70.92747	0.2
79.05492	1.5
81.07056	0.6
85.02897	0.2
86.09724	0.2
89.03918	6.5
91.05480	1.3
93.07059	0.5
95.04969	0.5
95.08591	0.3
97.02889	1.4
107.04962	2.2
117.03383	7.5
119.04948	2.5
119.08585	0.6
121.02819	0.2
121.10184	0.3
127.03896	0.2
133.06624	0.2
135.04420	20.2
145.02849	11.6
147.04414	12.7
148.04718	0.2
149.05991	0.2
158.06119	0.2
163.03906	100.0
164.04237	0.9
165.05473	0.5
181.04935	0.1
185.04524	0.4
186.05539	0.5
189.12729	0.2
217.12207	0.4
233.04405	0.2
245.11693	0.2
263.12772	0.2
271.04666	0.1
281.13760	0.2
323.79254	0.1
345.34824	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	633.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.4
53.03947	2.5
55.01873	1.8
55.05514	0.6
57.03424	1.4
65.03947	0.4
65.56375	0.3
67.01862	1.9
67.05505	2.0
69.03431	6.1
69.07070	6.2
71.01371	0.4
71.04995	2.8
75.04489	0.3
77.03893	0.3
79.05495	6.9
81.03418	9.0
81.07064	1.0
83.04982	1.3
85.02909	6.1
85.06562	0.3
87.00833	1.2
89.03921	1.3
91.05477	0.8
93.07035	0.7
95.04977	1.2
95.08611	0.8
97.02895	9.0
97.06532	57.0
98.06876	0.8
99.04453	3.0
105.04542	0.3
105.07017	0.6
107.04954	1.2
107.08572	0.7
108.08938	0.3
109.02879	12.9
109.10153	0.6
110.03191	0.7
111.04486	0.6
115.05462	0.3
117.03378	2.4
117.07019	0.3
119.04951	0.5
119.08573	1.3
120.08945	0.5
121.10135	0.3
122.10473	0.3
123.04438	0.4
123.08064	0.5
125.02341	0.6
125.09637	1.1
127.03916	100.0
128.04276	1.5
129.05476	0.9
129.07091	0.3
131.08528	0.5
133.02881	1.0
133.10139	0.9
134.03615	2.0
134.10506	0.3
135.04424	6.2
135.08002	0.3
135.11754	0.3
141.07062	0.3
143.04878	0.4
145.02861	5.1
145.04922	0.5
145.10158	0.8
147.04417	0.9
147.08020	0.4
147.11678	0.4
157.06467	0.4
157.10139	0.5
159.04405	2.8
159.08105	0.5
159.11676	0.6
161.02348	9.9
162.03133	0.4
163.03903	41.0
164.04228	0.4
165.09108	0.5
173.02344	18.8
174.02731	0.4
177.05536	0.5
185.05974	1.4
186.03142	0.4
187.07559	0.5
187.14745	0.3
189.05484	0.5
191.03401	3.2
195.07950	0.4
197.05910	0.7
199.03862	0.4
207.10175	0.3
213.03963	0.7
215.07027	24.2
216.07471	0.9
217.05000	0.6
225.11267	0.6
226.11513	0.5
229.05035	0.3
231.05037	0.6
233.08018	1.7
241.05011	0.3
241.08678	2.7
259.09659	77.6
260.10126	1.8
260.12561	0.4
277.10715	1.8
294.13513	0.3
321.82275	0.3
323.09283	0.4
323.12784	0.8
343.11786	0.4
367.11880	1.1
403.13928	3.2
421.14856	0.7
458.22501	0.3
459.22073	0.3
489.13800	1.8
507.14993	43.6
508.15317	1.9
596.84833	0.3
632.39044	0.4
633.38898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01869	3.2
55.05515	11.6
56.57707	0.8
57.03441	2.7
57.07085	5.8
59.04980	2.0
65.03931	2.3
67.05166	1.6
67.05505	23.7
69.03431	10.4
69.07072	12.8
69.78287	5.6
71.04990	6.2
77.03883	1.2
79.05490	26.7
81.03412	8.6
81.07057	62.5
83.04985	6.4
83.08611	9.0
85.02897	7.1
85.06534	4.2
91.05482	17.6
93.07043	28.8
93.07629	1.4
95.04967	14.6
95.08611	24.0
97.02882	4.3
97.06544	6.8
97.10154	2.3
98.54847	0.9
99.04467	4.2
99.08096	2.0
105.07039	22.4
105.07749	1.1
107.04959	1.7
107.08599	24.9
109.02868	2.0
109.06519	100.0
109.09456	1.7
109.10160	22.4
110.06860	1.0
111.04440	2.7
111.08089	3.3
113.06010	1.1
115.05400	1.3
117.07030	7.0
117.10063	0.9
119.08582	21.9
121.06543	2.6
121.10146	22.8
121.11023	1.2
123.04410	1.6
123.08075	8.2
123.11708	8.9
125.05975	1.4
125.09646	2.0
127.03909	4.7
128.06166	1.4
129.05486	1.4
129.07011	4.2
131.08568	19.9
133.10129	31.4
135.08066	13.2
135.11705	13.6
137.09616	2.7
137.13312	1.1
139.11172	3.8
142.07742	1.7
143.08568	6.8
145.10121	15.7
147.08032	2.8
147.11693	12.0
149.09622	3.8
149.13268	9.3
151.07570	3.3
151.11182	3.1
151.14725	1.6
153.09109	7.2
155.08572	1.7
155.10712	2.5
157.10153	8.0
158.10910	2.6
159.08104	1.4
159.11710	10.8
161.09595	3.0
161.13228	6.3
163.11189	2.5
163.14854	2.6
165.09070	2.2
165.12747	2.8
165.14136	0.9
167.08585	1.7
167.10718	2.1
167.14351	3.7
169.10136	3.9
171.10265	2.0
171.11717	6.6
173.09637	2.3
173.13260	20.0
175.11188	2.3
175.14848	7.0
179.08571	1.1
181.10239	1.2
181.12219	3.2
182.10974	1.0
183.11736	2.7
185.09552	1.2
185.13261	4.5
187.11168	1.2
187.14798	4.6
189.12703	2.1
189.16374	1.7
191.14319	45.0
191.16080	2.2
193.15852	1.3
195.11771	2.1
197.13348	1.9
199.14824	3.1
201.16324	2.4
207.13742	1.3
209.13440	1.4
209.15367	17.1
211.14862	2.7
213.12672	1.1
213.16425	1.3
215.14360	1.1
219.13898	1.1
221.15321	2.4
223.14902	1.4
225.16418	1.3
233.15417	1.6
237.16498	1.2
241.19589	1.6
243.20970	1.3
259.20764	1.1
261.22183	3.0
277.21674	1.2
303.23065	1.1
311.23770	2.3
313.25299	4.1
323.23505	1.1
355.26425	1.2
369.24185	1.2
403.24689	1.4
405.26535	1.2
421.26935	1.4
439.28217	2.8
451.35651	3.7
457.29401	2.9
469.36652	1.5
475.30548	12.1
487.37701	1.2
493.31369	3.4
577.38916	2.2
595.40015	4.0
613.41107	9.4
631.33392	1.3
631.42322	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	631.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01875	3.7
55.05510	12.1
57.03438	1.6
57.07071	6.5
59.05001	1.6
65.03944	3.2
67.05508	28.2
69.03437	12.2
69.07068	15.2
69.80821	9.7
71.04986	4.4
79.05498	32.0
81.03425	11.4
81.07058	72.2
83.04984	8.4
83.08613	11.8
85.02899	6.6
85.06546	5.0
91.05483	22.4
93.07047	33.3
95.04971	20.9
95.08606	30.0
97.02890	6.5
97.06550	8.7
97.10181	3.0
99.04460	2.0
99.08092	2.1
102.86771	1.7
105.07028	31.6
105.07677	2.1
107.08601	32.0
109.02904	3.9
109.06520	100.0
109.10152	29.0
109.10837	2.5
111.04442	1.9
111.08093	6.9
113.09633	2.4
113.55729	1.4
113.95058	1.7
115.03920	1.7
115.05455	3.5
117.07018	8.6
118.29896	1.5
119.08590	23.8
121.06502	3.0
121.10142	28.0
123.04392	1.8
123.08060	11.4
123.11710	10.8
125.06004	2.9
125.09647	3.7
127.03928	5.5
129.07007	7.3
131.08574	28.9
133.06557	2.8
133.10132	46.0
133.11084	3.0
135.08044	22.4
135.08980	1.7
135.11699	16.0
137.09627	5.7
137.13263	2.5
139.11168	5.2
141.07024	2.2
142.07768	2.4
143.08585	10.1
144.09340	2.8
145.10133	18.0
147.08113	2.2
147.11685	12.1
149.09593	6.5
149.13261	12.1
151.07532	3.6
151.11241	3.7
153.09114	7.2
155.08577	3.4
155.10638	1.4
157.10112	8.4
158.10907	2.7
159.08156	2.1
159.11702	9.7
161.09674	3.5
161.13252	7.2
163.11203	3.5
163.14845	3.9
165.09076	3.3
165.12778	3.4
167.10678	2.2
167.14339	3.6
169.10144	4.1
171.10315	1.6
171.11736	5.9
173.09645	1.8
173.13272	28.0
175.11211	2.4
175.14777	6.6
181.10083	1.8
181.12219	4.5
183.11711	4.3
185.13278	6.3
187.14832	4.2
189.12738	2.2
189.16545	1.9
191.10756	1.9
191.14316	51.4
195.11852	1.7
197.13261	3.5
199.14853	4.5
201.16371	2.4
203.14366	1.9
207.13753	2.1
209.13445	2.0
209.15344	21.5
211.14876	1.9
211.16844	1.3
213.16383	1.5
221.15427	4.5
233.15417	1.8
259.20709	2.7
261.22336	1.9
277.21555	1.7
313.25214	5.0
353.19479	2.1
369.24155	2.5
387.25330	1.9
405.26611	2.3
439.28531	2.2
451.35764	2.2
457.29474	3.2
469.36682	2.4
475.30554	13.5
493.31570	2.0
595.39392	2.8
613.41455	7.4
631.42487	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	631.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10956	0.6
55.01868	2.5
55.05511	12.9
56.05035	0.9
56.96566	6.4
57.05825	0.8
57.07071	1.7
58.41479	0.7
60.04528	3.4
63.24890	0.6
67.05503	6.7
69.07069	12.8
70.02971	0.7
70.06596	1.2
70.64554	0.7
71.04992	1.1
71.08635	0.9
71.58392	1.0
71.58755	0.9
71.95269	0.7
72.08157	100.0
74.91391	0.8
79.05510	3.6
81.07043	5.9
83.04991	1.4
83.08620	9.4
84.08152	0.9
86.09706	84.3
87.10072	0.8
88.03996	2.5
91.05473	3.4
93.07034	4.5
95.04930	1.2
95.08605	3.8
96.08131	0.9
97.06538	2.1
97.10181	2.9
98.06062	1.2
103.05498	2.1
105.07014	4.8
106.05040	2.9
107.08593	4.9
109.06535	1.1
109.10172	2.7
114.09189	1.9
116.03476	1.8
117.07040	1.4
119.08604	1.8
120.08107	68.2
121.10162	2.7
123.11759	0.9
128.98645	1.3
131.08571	1.0
133.10172	1.3
135.11728	1.0
140.14333	10.1
143.08385	1.0
144.08072	1.4
145.10144	0.9
146.99684	2.9
147.11700	0.9
149.13220	3.9
157.10085	1.1
159.11681	1.1
160.09659	4.1
162.09172	2.0
163.03932	2.8
167.14330	13.6
167.15732	0.8
173.13341	1.1
174.11328	1.5
174.12784	17.1
174.14265	1.0
175.13106	1.1
183.11797	0.7
184.17014	2.1
188.14456	1.5
207.11359	1.7
208.09705	1.8
219.13518	1.2
233.16490	11.4
235.10783	9.3
238.21657	33.1
253.11888	11.3
256.22720	16.8
256.25177	1.2
261.15988	22.1
266.21130	12.3
277.11276	1.0
284.22214	16.8
287.14963	0.8
287.21246	3.3
289.15732	0.7
289.21365	2.8
307.16373	1.2
315.20685	4.4
317.17810	9.1
330.18240	3.2
333.17590	0.9
335.18915	37.2
336.19330	0.9
343.25949	7.6
348.19180	13.6
351.30219	0.8
353.20093	11.7
353.24460	2.5
358.20563	9.9
366.20221	8.1
371.25314	3.5
376.21741	2.2
379.29514	8.7
397.30682	14.6
456.34482	1.9
466.32831	2.2
473.30234	2.4
484.33902	4.3
490.32828	6.8
492.15616	1.3
494.28876	0.8
518.32190	8.9
526.36078	1.0
535.74365	0.9
544.37592	3.2
585.40234	1.8
586.39014	2.4
595.40240	3.0
603.41046	9.9
613.39667	15.2
631.40930	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	631.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.05511	12.8
57.03439	3.4
57.07064	2.5
65.03956	1.6
67.05504	17.9
69.03439	8.6
69.07063	13.9
71.04989	6.5
71.60204	1.6
73.02907	3.0
75.04474	3.5
79.05490	12.2
81.03415	4.5
81.07060	32.4
83.04985	31.9
83.08631	7.2
85.02908	23.3
85.06543	1.9
87.04467	2.2
91.05473	14.0
93.07045	29.4
95.01346	1.6
95.04968	5.5
95.08612	58.8
97.02885	9.7
97.06536	3.6
97.10181	3.6
99.08097	3.5
103.05472	2.6
105.07037	38.6
106.07302	1.3
107.08600	55.1
109.02879	6.0
109.06499	5.8
109.10154	47.4
110.10507	1.6
111.04445	27.6
111.08096	10.4
115.03868	1.7
117.07031	5.3
119.08582	70.7
120.08919	1.3
121.02896	1.6
121.06515	4.8
121.10143	46.3
123.08057	4.3
123.11719	10.1
125.02328	2.3
125.09649	2.9
127.03958	5.9
127.07543	1.1
128.06253	1.4
129.05505	6.4
129.06996	2.9
130.07813	1.3
131.08563	19.1
133.06474	1.3
133.10135	46.2
134.10493	1.7
135.08061	6.8
135.11691	18.1
137.06003	2.7
137.09631	4.1
137.13330	2.8
138.05539	1.4
139.07608	1.7
141.01831	3.0
142.07793	2.4
143.08583	7.3
144.09360	2.3
145.05038	1.5
145.10129	41.0
147.04471	1.8
147.08031	2.3
147.11696	34.1
148.12100	2.0
149.09653	4.3
149.13261	28.3
151.07541	1.5
151.11180	1.6
151.64186	1.4
153.09077	5.9
153.83044	1.3
155.08559	1.6
157.10118	9.0
158.10846	1.7
159.08099	1.6
159.11700	31.4
161.09624	3.5
161.13272	28.3
163.03989	1.4
163.07578	2.2
163.11212	3.4
163.14832	24.5
164.26819	1.3
164.48758	1.3
165.09067	1.6
165.12775	1.3
167.10724	1.6
169.10144	3.0
170.10936	1.5
171.11674	7.2
172.12448	2.5
173.13272	21.8
175.11292	1.7
175.14836	28.4
177.12798	2.8
177.16380	27.8
177.17821	2.3
179.10751	1.9
179.14325	2.0
183.11746	4.3
185.13255	10.5
186.22379	1.3
187.14824	57.8
188.15225	1.6
189.04001	1.6
189.12811	3.3
189.16389	72.0
190.16859	1.7
191.14317	7.5
191.17949	10.8
193.15961	2.2
197.13271	3.3
199.11266	2.1
199.14804	11.5
201.16394	54.2
202.16783	1.5
203.14359	4.9
203.17963	51.8
205.15891	15.0
205.19528	2.1
207.13907	2.4
207.17499	5.4
211.14838	4.1
213.16394	14.6
215.14424	3.4
215.17961	20.7
217.15945	3.7
217.19603	3.2
219.13921	2.4
219.17456	8.3
221.15431	2.5
223.16895	2.2
225.11147	1.9
225.16382	3.4
227.17931	6.7
229.16013	1.6
229.19434	6.4
231.17406	2.5
233.15401	3.5
235.16905	10.1
237.16512	1.7
239.17989	4.3
241.19548	5.4
243.17552	1.3
243.21124	3.7
244.87856	1.3
245.19083	2.0
247.16939	10.3
249.18579	4.8
251.18120	1.9
253.19505	2.9
255.21088	3.4
257.22635	2.4
259.16916	2.1
261.18536	6.2
267.21179	2.3
268.65784	1.3
275.20099	3.0
281.22711	2.7
283.24194	3.6
285.18634	2.1
309.25977	1.6
317.00012	1.2
320.22946	1.6
327.23276	2.6
329.24771	2.6
343.26392	2.7
355.26245	2.6
365.19861	2.5
375.30484	5.2
391.33588	4.3
393.31567	22.2
395.33298	5.0
397.31387	1.7
403.30457	1.7
407.32977	2.4
409.34686	6.7
411.32468	12.3
413.34457	2.0
421.30862	9.9
425.34076	2.1
435.32797	4.4
437.34268	23.5
439.32098	11.4
455.35321	3.0
457.33176	19.5
549.35962	2.5
567.36780	8.5
585.38000	5.0
595.36139	4.2
613.23749	1.4
613.37335	8.2
614.58124	1.4
631.38403	100.0
632.38696	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	631.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89648	2.0
53.03940	5.6
55.01861	6.8
55.05515	8.1
55.64642	2.0
56.81598	2.1
57.03430	4.5
59.04991	2.6
59.41493	2.4
65.03926	4.6
67.05501	20.2
69.03432	27.4
69.07056	8.0
69.48744	12.0
69.49173	7.5
71.01343	3.8
71.04981	7.6
73.02917	5.7
79.05489	17.0
81.03418	22.3
81.07059	33.5
83.04974	10.3
83.08603	4.4
85.02921	13.1
87.04451	3.7
91.05476	24.0
93.03384	2.2
93.07042	34.5
95.04968	16.2
95.08615	28.8
97.02898	37.5
97.06530	11.8
99.04455	6.2
103.03935	2.7
103.05490	7.3
105.07036	47.8
107.04929	11.6
107.08596	45.4
109.02886	32.8
109.06540	14.1
109.10161	45.2
111.04455	28.0
111.08086	7.5
115.03915	6.3
115.05449	5.0
117.07021	8.7
119.04959	6.4
119.08579	61.3
121.02859	9.4
121.06480	15.8
121.10148	22.8
123.04417	9.1
123.08087	15.5
123.11686	9.3
125.02328	3.6
125.06016	4.0
125.09600	6.5
127.02965	4.8
127.03912	100.0
129.05453	2.4
129.06978	7.8
131.04932	5.5
131.08569	10.8
133.06500	31.4
133.10135	45.2
135.04375	2.8
135.08047	19.7
135.11694	10.4
137.02330	5.2
137.05977	19.0
137.09601	8.5
139.03952	3.6
139.07536	4.7
141.07065	3.0
142.07793	5.3
143.08560	15.6
145.02863	3.1
145.04950	5.3
145.06459	5.4
145.10114	19.7
147.04419	16.2
147.08026	22.5
147.11684	11.6
149.05981	3.3
149.09612	8.8
149.13272	4.1
151.07564	6.4
151.11182	5.2
155.06984	2.1
155.08539	3.9
156.09351	3.5
157.06500	4.4
157.10132	14.7
159.08066	5.0
159.11702	13.7
160.34633	2.4
161.05949	9.1
161.09622	25.8
161.13359	4.3
162.05478	4.7
163.03874	8.6
163.11198	12.7
163.14778	2.7
165.05473	8.6
165.09099	22.6
167.07028	3.9
167.08478	2.4
169.10144	5.3
171.08110	3.4
171.11748	15.5
173.05911	3.5
173.09598	6.5
173.13203	11.3
175.07561	8.7
175.11186	7.6
175.14801	2.8
177.05489	8.3
179.03418	16.0
179.10712	15.3
181.06506	2.9
181.10155	5.3
183.11688	4.1
185.04439	3.5
185.05949	4.4
185.09647	16.9
185.13245	7.0
187.11232	3.5
187.14827	5.3
189.09096	18.3
189.12753	6.6
189.16435	4.6
191.10626	5.2
195.11674	4.6
197.09662	4.3
197.13290	4.1
199.07487	5.2
199.11176	28.8
199.14835	4.7
201.12822	4.1
203.07021	6.5
203.10655	2.8
207.10139	23.0
209.13354	4.1
213.12862	3.8
215.07036	5.3
215.10541	5.3
217.08635	7.6
217.12276	21.0
219.01624	3.0
219.13812	4.5
221.08116	11.4
225.11220	50.1
227.07028	6.3
237.02792	4.1
237.16444	3.6
245.08073	24.1
251.18069	3.0
253.16057	2.5
255.17487	4.0
259.09781	3.4
259.13348	4.7
263.09183	23.4
267.12320	7.6
269.18915	3.1
271.10709	3.3
279.17468	3.6
287.10156	14.5
287.20071	3.4
297.18506	16.6
313.17883	7.8
315.19537	34.7
317.11203	4.3
331.19061	5.5
333.13400	3.6
333.20541	4.9
357.20520	5.4
364.99072	2.5
369.20523	3.6
375.21671	5.2
405.20691	3.0
413.23105	2.5
423.21674	7.4
441.22586	20.0
459.23706	9.0
533.79034	2.8
583.22003	3.2
613.24066	2.7
626.21539	2.5
631.24084	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	631.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03944	4.0
55.01861	3.0
55.05513	11.0
56.21082	0.9
57.03430	3.8
57.07064	1.7
59.05016	1.2
65.03941	2.9
67.05507	15.3
69.03430	9.3
69.07069	9.5
71.01354	1.7
71.04993	10.0
71.60178	1.7
73.02923	1.8
79.05495	12.5
81.03417	10.0
81.07061	21.8
83.04985	32.5
83.08614	5.9
85.02901	26.9
85.06539	2.6
87.04481	1.8
88.15462	1.0
89.03903	1.5
91.05482	17.0
91.32356	1.1
92.74268	0.9
93.07043	29.1
95.04977	5.7
95.08611	40.5
97.02900	13.5
97.06529	8.0
99.04471	4.8
99.08096	1.6
103.05489	2.0
105.07030	35.8
107.04961	4.0
107.08595	45.8
109.02871	15.5
109.06517	8.7
109.10155	32.5
111.04447	36.0
111.08086	6.6
113.06083	1.4
115.05499	1.7
117.03397	4.3
117.07047	6.4
118.03733	1.1
119.04929	2.6
119.08584	64.0
121.02862	7.3
121.06498	6.8
121.10146	34.1
123.04462	4.1
123.08079	8.8
123.11705	7.8
125.05986	2.2
125.09643	3.5
126.44901	1.0
127.03927	29.5
128.06256	1.5
129.05481	6.4
129.07054	3.5
130.07852	1.6
131.04890	1.5
131.08577	19.2
133.06496	15.4
133.10138	39.6
135.04370	1.4
135.08070	12.6
135.11697	15.0
137.06000	6.7
137.09612	5.8
137.13286	3.2
139.07532	2.6
141.07008	2.1
141.09167	1.3
142.07788	2.0
142.39725	1.0
143.08571	9.9
144.09335	2.0
145.02853	10.3
145.04999	3.8
145.06505	2.4
145.10120	36.4
146.03214	5.0
146.07291	1.4
147.04445	4.0
147.08046	9.1
147.11667	18.2
147.12775	1.3
149.05997	3.3
149.09631	7.9
149.13268	12.7
151.07539	1.2
151.11160	2.8
153.07028	2.6
153.09113	3.9
155.07228	1.3
155.08563	3.3
156.09300	1.1
157.06567	1.8
157.10132	12.3
158.10968	1.1
159.08057	1.9
159.11700	21.7
161.06049	3.2
161.09608	12.9
161.13261	15.0
163.03973	2.9
163.07585	2.7
163.11197	7.5
163.14815	15.6
165.05537	3.1
165.09108	10.3
167.10690	1.1
169.10202	3.3
170.10947	1.8
171.08107	2.2
171.11691	10.4
173.09642	2.1
173.13272	15.3
175.07581	4.1
175.11298	2.1
175.14839	18.3
175.16255	1.5
177.05490	18.0
177.09163	1.3
177.12761	1.6
177.16397	14.7
178.05835	8.3
179.07126	1.8
179.10652	9.4
179.14360	1.9
181.10143	3.7
183.11630	5.0
185.09612	7.7
185.13217	10.5
187.11259	3.0
187.14825	46.9
189.09097	9.7
189.12817	5.0
189.16377	34.8
191.10721	2.9
191.14360	4.6
191.18036	4.5
195.11742	3.0
197.13295	3.9
199.07574	2.3
199.11185	13.5
199.14784	8.5
201.12813	3.2
201.16373	31.0
203.07088	3.1
203.10681	2.2
203.14378	4.7
203.17981	19.1
205.15887	12.6
205.19701	1.4
207.10193	7.7
207.11852	1.3
207.17340	1.4
209.13382	2.5
211.14769	2.7
213.12856	2.9
213.16312	8.4
215.14407	2.4
215.17931	9.0
217.08745	2.8
217.12196	6.7
217.15807	1.6
219.13823	1.9
219.17502	4.7
221.07991	5.1
221.15451	1.9
223.14957	2.1
223.17075	3.1
225.11220	22.2
225.16444	2.1
227.07062	2.1
227.18007	3.2
229.15984	2.3
229.19638	3.8
231.13831	1.4
231.17303	1.2
233.15428	1.9
235.13307	1.7
235.16936	7.1
237.16408	1.4
239.17990	2.6
241.19518	2.1
243.21143	1.9
245.08125	13.6
247.16914	6.5
249.18597	1.7
251.18011	2.7
253.19481	2.0
255.17395	1.7
255.21152	1.7
259.09531	1.5
261.18658	3.7
263.09171	9.3
267.12183	2.2
267.21176	1.1
269.19052	2.7
273.18634	1.4
278.94641	1.1
279.17706	1.4
281.22675	1.9
285.18686	1.4
287.16800	1.1
287.20047	2.5
295.16815	1.3
297.18484	7.7
309.25931	2.4
313.18054	2.0
315.19559	15.3
327.23590	1.2
331.19095	1.8
333.13162	1.5
333.20694	2.2
357.20679	2.7
363.18262	1.4
369.20758	2.1
375.21942	1.2
375.30573	4.9
377.32074	1.9
393.31516	23.9
395.33365	4.2
409.31183	1.6
411.32605	13.0
413.34167	2.0
421.31009	11.4
421.35489	1.1
423.21628	2.5
424.92087	1.1
439.32086	13.1
441.22705	9.1
457.33127	23.0
459.23950	3.1
549.36011	1.6
567.36743	1.6
574.60736	1.3
595.36407	1.8
599.25342	1.6
613.37799	5.6
631.38483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22581	0.4
53.03941	3.3
55.01868	1.6
55.05511	1.5
57.03427	0.7
59.04991	0.8
65.03969	0.6
67.05499	3.0
69.03426	8.6
69.07071	1.7
69.71358	1.2
69.71778	2.1
71.01338	0.6
71.04994	2.0
73.02911	0.7
75.19405	0.4
79.05495	3.9
81.03417	17.3
81.07053	7.8
83.01340	1.7
83.05003	2.1
83.08613	0.9
85.02905	1.4
85.06531	0.7
86.09716	0.7
91.05482	7.7
93.03468	0.4
93.07045	10.1
95.04970	2.7
95.08601	6.9
97.02890	16.7
97.06528	1.1
98.21445	0.6
99.04443	3.9
103.05447	0.7
105.06382	0.9
105.07036	13.1
107.04971	1.8
107.08595	12.3
109.02879	100.0
109.06510	7.8
109.10149	3.8
111.04447	3.1
111.08057	4.9
113.05991	1.3
117.07024	0.9
119.05024	0.6
119.08577	31.4
121.02857	2.7
121.06491	5.9
121.10139	10.2
123.04476	0.9
123.08070	10.1
123.11688	3.4
124.08852	1.7
125.02351	2.0
125.09628	65.1
127.03914	63.3
127.04897	0.9
128.06209	0.7
129.06993	0.6
131.08556	1.4
133.06458	1.4
133.10127	27.0
135.08058	1.3
135.11690	3.9
137.06001	1.2
137.09625	4.4
139.03891	1.5
139.07559	0.7
141.06929	0.5
143.08574	4.1
145.04955	7.9
145.06339	1.2
145.10153	2.2
146.07317	0.5
147.04431	1.3
147.08041	14.3
147.11768	0.9
149.06004	0.7
149.09628	0.5
151.07565	1.6
151.11177	3.5
155.08644	0.5
156.48192	0.5
157.10110	0.8
159.08017	0.7
159.11739	0.9
161.09612	16.8
161.13213	0.7
163.03902	1.2
163.07545	1.2
163.11186	2.2
165.09116	18.6
167.03401	1.7
167.08450	0.6
168.03738	0.7
169.10054	0.7
171.08063	0.8
171.11726	0.7
173.09625	1.0
173.13258	0.9
175.11148	1.1
177.05473	0.7
179.10674	14.5
185.04434	2.9
185.13211	1.0
186.04779	1.5
187.14777	0.8
189.09108	14.4
191.10591	0.5
193.04729	0.5
197.09511	0.6
207.10167	21.3
219.13805	0.8
220.08369	0.7
225.11206	39.6
229.08601	0.9
233.11838	0.8
237.10979	0.6
243.10089	0.5
243.12338	0.6
247.09641	0.8
248.07933	0.8
249.11313	0.8
253.15811	0.9
267.12262	4.7
267.17288	0.6
271.13577	0.6
271.16965	1.5
275.06885	0.5
280.10559	1.0
285.18509	1.1
288.10461	0.6
289.17896	2.2
297.13379	0.7
303.19421	1.0
307.09360	0.8
308.09875	1.5
313.17932	2.5
315.12384	2.2
331.19003	10.5
333.13312	5.9
349.20102	12.3
351.14349	8.7
357.77258	0.5
367.21109	1.2
391.21204	6.5
406.97247	0.5
421.22202	2.2
437.54865	0.5
439.20969	1.7
457.22195	20.3
475.23254	12.4
493.24213	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	631.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01870	7.3
55.05505	9.3
57.03418	3.1
65.96848	2.5
67.05507	26.7
69.03430	17.8
69.07063	6.1
69.42593	20.6
69.43003	5.4
71.04986	2.7
73.02934	3.6
79.05498	21.3
81.03410	28.3
81.07056	29.0
83.04991	9.3
85.02907	7.2
91.05481	41.5
93.07040	48.2
95.04967	13.1
95.08602	31.1
95.09088	3.0
97.02897	36.9
97.06538	12.2
97.15952	2.5
99.04459	9.7
105.07039	74.4
107.04956	16.3
107.08597	55.5
109.02882	32.2
109.06503	18.3
109.10153	67.1
111.04439	29.1
111.08067	4.6
114.04693	2.6
115.05424	5.0
117.07016	11.3
119.04983	5.9
119.08586	79.3
121.02899	6.6
121.06525	16.2
121.10152	23.9
123.04447	14.6
123.08058	16.4
123.11723	9.8
125.06048	4.2
126.54611	2.9
127.03919	79.0
128.06210	6.9
129.07014	17.0
131.04936	4.5
131.08524	16.9
133.06470	16.3
133.10132	52.0
133.11072	4.7
134.10435	3.4
135.08041	31.0
135.11716	12.0
137.05992	18.5
137.09610	12.8
141.06935	4.1
142.07726	5.7
143.08566	30.0
144.09399	2.9
145.04948	5.7
145.06485	5.8
145.10141	25.1
147.04398	8.5
147.08054	38.3
147.11694	11.5
149.05997	3.9
149.09601	17.3
151.07545	5.1
151.11253	4.7
153.07021	8.8
155.08575	7.7
157.06508	7.9
157.10138	14.4
159.08067	5.0
159.11722	10.6
159.52374	2.6
161.05963	15.1
161.09618	41.6
161.13220	4.3
163.11183	25.1
165.05492	12.3
165.06937	5.9
165.09106	38.0
166.07799	5.0
167.08463	3.3
169.10194	4.8
171.08052	9.1
171.11641	19.0
173.09663	8.5
173.13260	7.7
175.07553	18.0
175.11194	7.7
175.14934	4.6
179.07008	5.4
179.10660	29.3
181.06496	8.5
181.10127	14.0
182.31081	3.1
185.05948	5.7
185.09656	30.0
187.07526	3.1
187.11255	4.1
187.14891	4.7
189.09114	24.7
189.12711	7.0
191.10640	5.6
195.11713	4.0
197.09657	4.0
197.13347	4.6
199.07574	6.7
199.11185	57.5
199.14891	3.7
201.12737	3.4
203.07013	18.1
203.10686	6.5
207.10155	34.7
209.13358	4.2
211.14868	3.5
213.12830	2.9
217.08627	11.2
217.12183	29.2
218.61086	3.0
219.13770	4.7
221.08110	16.4
225.09012	5.1
225.11209	100.0
225.13359	5.2
227.07022	11.2
235.13150	6.2
245.08093	38.8
249.11044	4.3
259.13516	2.7
263.09186	36.1
267.12210	18.3
269.18933	4.6
279.17459	3.4
287.19962	4.7
297.18515	12.4
315.19479	41.0
333.13239	4.3
333.20413	3.3
351.14221	5.1
351.19217	2.5
351.34933	3.4
357.20316	12.7
357.97067	2.7
369.20694	7.7
375.21597	3.6
405.20364	4.2
423.21436	11.9
441.22714	34.6
459.23627	7.3
631.30151	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	631.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.5
55.01870	5.9
55.05507	6.8
57.03424	2.2
57.07070	1.6
65.03931	2.9
67.01861	1.2
67.05164	1.6
67.05502	19.1
69.03431	16.1
69.07063	9.3
69.46362	7.4
69.46774	2.3
71.01377	1.2
71.05000	5.4
72.08170	1.4
73.02887	2.9
79.05490	21.0
81.03423	27.9
81.07055	24.6
83.01334	1.8
83.04976	9.1
83.08614	4.3
85.02901	6.0
85.06532	1.8
86.09715	1.1
87.04460	3.9
90.85429	1.1
91.05476	23.4
91.06020	2.2
93.03410	1.7
93.07043	31.4
95.01329	1.4
95.04964	10.0
95.08607	30.5
97.02889	27.3
97.03509	1.5
97.06529	11.0
99.04453	8.2
103.05442	1.5
105.07030	58.2
107.04944	8.6
107.08590	42.6
109.02879	40.7
109.06515	13.0
109.10153	38.1
109.10899	1.5
111.04442	33.5
111.08073	6.0
113.02340	1.5
113.06001	2.2
115.03957	1.3
115.05450	2.4
117.07010	10.5
119.04927	3.3
119.08582	66.7
120.08943	1.3
121.02856	5.3
121.06516	8.5
121.10143	23.9
123.04435	7.7
123.08064	12.1
123.11697	9.0
125.05993	4.6
125.09649	3.5
127.03914	78.4
128.06230	3.3
129.06979	6.7
130.07788	2.2
131.04884	2.3
131.08566	15.6
133.06496	39.7
133.10123	44.2
135.04448	1.3
135.08051	24.9
135.11716	8.3
137.02345	100.0
137.03409	7.9
137.05971	5.0
137.09624	6.7
137.13281	1.4
138.02719	1.9
139.07568	1.1
141.01822	2.9
141.07008	3.8
142.07762	6.5
143.08568	17.5
144.09326	2.0
145.02832	1.8
145.04964	5.3
145.06483	3.6
145.10126	25.6
147.04361	5.5
147.08054	21.3
147.11679	10.5
149.06006	2.1
149.09615	12.2
149.13301	3.4
151.07576	1.7
151.11192	3.3
152.06065	1.4
155.07162	1.1
155.08551	4.9
156.09349	4.4
157.06497	3.2
157.10120	16.1
159.08044	5.3
159.11696	16.0
161.05980	2.3
161.09610	25.9
161.13245	6.4
163.03914	1.7
163.07573	2.2
163.11188	14.2
165.06979	2.7
165.09114	20.9
166.07782	3.0
167.07092	2.9
167.08542	2.5
169.10094	5.7
170.10841	3.2
171.08086	5.3
171.11702	15.3
173.09619	7.9
173.13254	8.5
175.07481	2.2
175.11154	5.9
175.14832	3.1
177.05440	3.0
177.09129	1.9
177.12784	2.5
179.07060	1.7
179.08537	1.4
179.08957	1.6
179.10660	16.3
181.04916	3.9
181.10126	9.4
182.10808	1.2
183.11745	5.7
184.08905	1.4
185.09628	14.9
185.13222	6.7
187.11214	6.4
187.14833	6.1
189.05450	2.7
189.09090	18.1
189.12787	3.4
189.16434	3.0
191.10643	5.6
193.10207	1.9
194.10947	1.3
195.11711	3.3
197.09615	2.7
197.13237	5.2
199.11185	32.5
199.14819	9.3
201.09216	2.0
201.12817	3.8
201.16417	4.7
203.07042	1.7
203.10661	5.3
203.14371	2.4
205.12292	3.2
205.15886	3.7
207.10133	22.7
209.11584	1.7
209.13293	3.4
211.14836	3.0
213.09286	1.5
213.12766	3.3
213.16394	3.4
215.10670	2.6
217.04884	1.5
217.12201	15.5
217.15897	4.5
219.13826	3.0
219.17477	1.8
221.13350	1.6
222.14098	1.3
223.11182	2.2
225.11208	60.1
225.16417	2.1
227.10698	2.5
227.17857	2.3
229.15948	2.0
231.13884	1.5
231.17467	6.3
235.13141	2.4
237.12878	2.3
237.16418	1.7
239.18127	1.6
241.12241	2.8
246.14108	1.4
251.17964	4.3
253.15932	2.1
253.19427	1.3
255.13777	1.4
255.17502	4.0
257.15527	1.9
259.13406	3.4
267.12259	5.9
269.19031	3.3
273.18579	2.0
279.17480	3.1
281.06793	1.2
285.18503	1.1
287.16684	1.6
287.20071	4.7
295.16931	3.5
297.18417	18.2
308.06778	1.1
313.17938	7.6
313.21085	1.4
315.19553	36.9
316.19730	1.2
331.19016	7.0
333.13559	2.5
333.20599	4.5
341.21170	1.4
351.14380	3.8
357.20447	7.1
369.16379	1.4
369.20621	4.6
375.21570	2.5
381.20490	1.4
387.14441	1.8
393.20688	1.8
395.22107	2.2
405.20660	4.2
419.33038	3.7
423.21637	8.9
437.34155	4.7
441.22754	25.0
442.22617	1.1
451.21182	2.2
459.23801	12.7
469.32416	1.6
477.24817	1.6
587.33276	1.9
613.26154	6.9
613.37152	3.0
631.31635	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	631.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.6
51.67277	0.7
53.03942	3.4
54.06625	0.7
55.01873	4.1
55.05513	5.3
57.03437	1.8
59.04994	1.2
63.02384	0.9
65.03940	1.6
65.76038	1.1
67.05506	11.3
69.03431	11.0
69.07060	5.7
70.60654	3.3
70.68382	0.9
71.04992	3.7
73.02922	1.2
79.05490	10.4
81.03420	17.2
81.07063	14.2
83.04990	7.2
83.08606	2.1
85.02907	6.3
85.06572	1.0
89.03905	6.2
90.04226	1.4
91.05481	13.5
93.07046	21.9
95.04977	6.5
95.08608	21.3
95.09160	1.6
97.02896	20.6
97.03902	0.9
97.06521	6.7
99.04459	4.8
99.08114	0.9
103.05466	2.7
103.49891	1.1
105.04585	1.2
105.07030	34.3
107.04964	5.5
107.08600	30.6
109.02882	27.7
109.06523	8.4
109.10160	24.9
111.04440	25.7
111.08083	3.1
113.06029	1.5
115.03962	0.9
115.05460	2.2
117.03378	19.8
117.07021	5.6
118.03742	5.6
119.04924	1.8
119.08581	39.9
121.02872	3.9
121.06489	7.7
121.10149	15.9
123.04433	4.4
123.08080	9.6
123.11715	5.3
125.05973	2.1
125.09593	2.1
127.03919	50.8
128.04305	0.9
128.06245	3.1
129.05466	1.7
129.07027	6.9
130.07774	1.5
131.04932	2.8
131.08568	9.9
133.06497	28.0
133.10132	31.6
134.03671	1.3
135.04497	1.7
135.08057	15.4
135.11688	6.6
137.02348	64.5
137.03401	4.1
137.05995	2.8
137.09625	4.2
139.07582	2.1
141.06998	1.7
142.07802	2.6
143.08578	10.5
145.02847	48.0
145.04964	3.1
145.06476	2.4
145.10136	15.1
146.03178	18.0
147.04465	2.3
147.08058	15.9
147.11702	5.8
149.05963	7.5
149.09624	6.0
150.06329	3.7
151.11195	2.5
153.06946	0.9
153.09172	1.4
155.08537	2.8
156.09317	3.5
157.06508	0.9
157.10132	10.6
158.10934	1.2
159.08081	2.2
159.11694	10.7
161.05994	1.3
161.09619	17.1
161.13309	3.5
163.07518	2.5
163.11180	9.4
165.07018	1.2
165.09125	14.9
166.07753	2.6
167.08566	2.0
169.10092	4.2
170.07472	1.0
171.08043	2.6
171.11681	9.5
173.09637	5.4
173.13287	5.0
175.07634	2.1
175.11220	3.4
175.14851	2.6
177.05475	100.0
177.12750	1.3
178.05809	51.3
179.05997	1.1
179.10690	11.6
181.10176	7.6
181.11736	1.2
182.10835	1.0
183.11717	2.8
185.09622	11.1
185.13266	3.8
186.05489	1.6
187.11209	4.9
187.14804	4.8
189.09105	12.2
189.12724	2.1
189.16417	2.4
191.07051	1.2
191.10664	3.8
192.92557	1.0
195.11725	4.0
197.09630	3.0
197.13310	2.5
199.11186	23.0
199.14873	2.9
201.09148	1.3
201.12781	2.3
201.16394	1.5
203.10725	2.9
203.14354	1.5
203.17953	1.5
205.12381	1.2
205.15833	1.3
207.10141	16.3
209.09691	0.9
209.11537	2.0
209.13275	2.7
211.11224	1.8
211.14818	2.3
213.12769	2.0
213.16455	1.9
215.10687	1.9
217.12276	11.2
219.13817	2.7
225.09000	1.8
225.11215	37.9
227.10562	1.4
227.14282	1.3
227.17900	1.7
231.10129	1.3
231.13774	1.3
233.15366	1.1
235.13306	2.4
237.16437	1.6
241.12311	1.2
241.19508	1.3
245.11734	1.7
251.17929	2.3
253.15910	1.4
255.14236	0.8
255.17444	3.5
259.13348	1.9
267.12360	3.5
269.19055	3.1
273.18488	1.0
279.17548	3.0
281.06686	1.5
285.18695	1.7
287.16876	1.4
287.19888	4.8
295.16998	2.2
297.18472	11.9
311.16437	1.0
313.17999	4.4
315.19565	28.7
318.21643	1.2
331.18893	4.6
333.13327	2.7
333.20645	3.4
341.21298	1.3
351.14664	2.0
357.20523	4.4
369.20627	3.1
375.21625	1.8
405.20764	2.9
411.20599	1.4
423.21643	5.7
441.22751	13.8
457.33029	1.3
459.23691	9.0
460.24008	1.0
477.24783	1.2
613.26422	5.1
631.29736	1.6
631.38287	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	631.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.5
53.03936	3.3
55.01871	1.1
55.05511	1.3
56.88385	0.4
57.03428	1.1
63.78802	0.4
65.03938	3.6
67.01854	0.5
67.05499	2.5
69.03427	7.2
69.07061	1.0
71.01332	0.4
71.04984	1.6
71.59294	0.3
71.59728	0.7
73.02924	0.5
79.05488	3.9
81.03413	15.0
81.07048	5.0
83.01327	1.0
83.04984	1.4
83.08594	0.5
85.02892	1.3
91.05470	6.5
93.07035	8.2
94.78228	0.4
95.04975	1.5
95.08607	6.3
95.93601	0.4
97.02885	14.7
97.06519	0.8
99.04443	2.7
103.05481	0.5
105.07022	12.2
107.04950	1.6
107.07861	0.7
107.08585	12.4
109.02872	76.8
109.06507	5.5
109.10151	3.2
111.04430	5.5
111.08069	3.8
113.05972	0.6
115.03951	0.5
115.05447	0.5
116.98666	0.4
117.07021	0.9
119.08575	26.7
120.08915	0.5
121.02859	100.0
121.06483	1.5
121.10130	7.8
122.03197	1.3
123.04387	0.8
123.08066	7.5
123.11700	2.6
124.08817	1.1
125.09620	55.2
126.09961	0.7
127.03906	47.4
128.04236	0.7
128.06230	1.0
129.06963	0.9
131.08572	1.7
133.06522	2.1
133.10121	20.5
135.04468	0.6
135.08052	0.9
135.11662	2.8
137.05949	1.4
137.09590	3.2
139.07532	0.4
143.08542	3.7
145.02910	0.5
145.04941	5.9
145.06435	0.7
145.10139	2.3
146.07256	0.5
147.04410	0.7
147.08037	12.8
147.09225	0.7
148.45657	0.4
149.06024	0.9
149.09569	0.6
151.07550	1.2
151.11192	2.3
154.00279	0.4
157.10085	0.8
161.06012	0.5
161.09608	14.6
163.03894	1.7
163.07481	0.6
163.11147	2.6
165.09103	14.6
167.07043	1.5
171.08058	0.7
171.11655	0.7
173.09627	0.8
173.13203	0.9
175.11240	0.6
177.05476	0.9
179.10669	12.1
183.11728	0.5
187.14793	0.6
189.09093	12.1
207.10138	17.0
209.08119	0.5
213.12749	0.4
225.11197	32.2
225.16197	1.0
226.11430	0.8
227.14420	0.5
229.04836	0.5
229.15939	1.1
233.11644	0.6
247.05943	2.2
249.11234	1.1
253.15872	0.9
267.12262	4.6
267.17441	0.6
271.16852	1.6
285.18466	1.3
289.17950	2.0
295.16855	0.9
297.13385	0.8
303.19400	0.7
313.17963	2.4
315.12338	1.2
331.19022	9.8
333.13361	3.6
349.20053	7.3
351.14346	6.4
367.20959	1.1
391.21143	4.7
421.22009	1.4
439.21191	1.0
457.22183	12.3
458.22327	0.5
475.23267	11.2
493.24005	1.7
515.45776	0.4
613.25958	1.0
631.18121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.2
55.01863	3.3
55.05510	3.2
57.03431	1.5
59.05004	1.0
59.23575	0.9
65.03927	1.5
67.05176	1.0
67.05507	10.9
68.08443	0.8
69.02636	0.8
69.03433	9.7
69.07062	4.6
69.41451	8.5
71.04980	2.9
73.02922	1.4
74.68220	0.7
78.07986	0.8
79.05495	9.8
81.03425	14.1
81.06003	0.9
81.07061	12.8
83.04987	7.8
83.08614	2.5
85.02911	4.5
89.03909	6.8
90.04253	2.2
91.05488	12.9
93.03372	0.9
93.07053	18.5
95.04967	6.5
95.08614	17.8
97.02895	14.4
97.06547	5.8
99.04447	3.9
103.05475	2.4
105.07038	26.6
107.04968	6.1
107.08604	26.4
109.02886	25.0
109.06500	7.3
109.10162	22.6
111.04450	21.5
111.08094	2.5
115.05459	1.7
117.03381	20.0
117.07024	5.3
118.03719	7.2
119.04963	2.5
119.08591	36.7
121.02874	2.2
121.06520	4.2
121.10155	13.3
123.04425	3.0
123.08081	7.1
123.11730	5.3
125.05972	1.5
125.09606	1.1
127.03927	48.0
128.06204	3.3
129.07022	5.1
131.04939	1.9
131.08562	8.3
133.06506	22.3
133.10138	24.0
134.03676	1.1
135.04416	1.4
135.08072	12.1
135.11697	6.1
137.02356	54.7
137.03410	4.4
137.05923	1.0
137.09557	4.2
139.07509	1.8
141.06999	1.8
142.07797	2.7
143.08562	10.5
144.09375	1.8
145.02856	46.0
145.04770	4.0
145.06483	2.4
145.10130	12.9
146.03191	18.4
147.04396	1.2
147.08060	14.8
147.11668	5.8
149.05992	8.9
149.09621	5.6
149.13268	1.1
150.06343	3.8
151.07578	1.2
151.11185	2.2
155.08524	2.0
156.09320	1.9
157.10144	9.2
158.10959	0.9
159.08081	2.3
159.11716	7.7
161.05992	1.0
161.09624	16.7
161.13237	1.9
163.07581	1.5
163.11211	8.6
165.06924	2.1
165.09116	14.7
166.07768	1.9
166.34430	1.0
167.07034	1.7
167.08487	1.5
169.10188	4.8
170.10936	1.0
171.08058	2.9
171.11667	9.3
173.09679	3.2
173.13228	4.5
175.07527	1.5
175.11192	3.5
175.14830	2.2
177.05486	100.0
178.05823	50.9
179.06021	1.4
179.10675	10.6
181.10181	6.0
182.10809	1.0
183.11720	3.1
184.08743	1.2
184.12466	1.0
185.09662	9.6
185.13297	3.0
186.05547	3.2
186.13959	0.9
187.05844	1.2
187.11281	4.2
187.14809	2.7
189.09135	11.4
189.12766	2.4
189.16368	2.8
191.10693	2.6
193.10222	1.3
195.11787	2.1
197.09535	1.6
197.13249	1.7
199.11191	18.5
199.14877	3.2
201.09149	1.3
201.12782	2.4
201.16435	1.8
203.10661	3.2
203.14374	1.0
205.12224	1.9
205.15984	1.0
207.10168	14.1
209.13292	2.0
211.14877	2.4
213.12773	2.8
215.10757	1.8
215.14178	1.4
217.05037	1.1
217.12241	9.3
219.13808	2.4
221.13423	1.3
223.14966	1.3
225.09009	1.8
225.11201	31.1
225.13359	1.6
225.16292	1.6
227.18059	1.2
231.13907	1.3
235.13220	1.9
237.16353	1.3
241.12288	1.5
241.19394	1.0
245.04625	0.9
245.11684	1.9
247.16978	1.2
251.18004	1.8
255.13939	1.1
255.17448	2.9
259.13315	1.4
267.12344	3.4
269.19019	2.3
273.18506	2.2
279.17429	2.4
281.15479	0.8
287.16809	0.9
287.20078	2.5
295.16998	2.1
297.18454	11.5
313.17938	3.7
315.19550	22.2
317.21094	1.2
318.21545	1.1
326.38474	1.0
331.18939	4.1
333.13739	1.0
333.20825	4.1
347.93173	0.9
351.14294	1.3
357.20651	3.6
367.18268	1.0
369.20639	2.5
375.21609	1.5
405.20731	1.7
411.21277	1.1
413.23135	1.1
423.21658	5.2
441.22937	16.9
441.28824	0.9
451.21411	1.6
459.23792	8.9
473.35440	1.1
485.36923	1.0
613.26538	4.4
631.30322	2.7
631.38562	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
54.03051	0.5
55.01865	2.0
55.05517	1.7
57.03439	1.2
57.06280	0.5
59.04982	1.0
67.05510	3.6
69.03430	9.1
69.07076	2.7
71.05011	3.1
73.02917	1.0
73.77325	0.5
79.05499	4.6
81.03422	16.5
81.07059	9.4
82.07419	0.7
83.01341	1.1
83.04985	3.7
83.08600	1.0
83.30408	0.6
85.02924	3.1
85.06522	0.6
91.05483	8.7
93.07044	13.2
95.04968	1.9
95.08609	9.7
96.08910	0.8
97.02898	17.2
97.06533	2.0
98.98473	0.9
99.04472	3.6
100.99074	0.6
105.07035	14.3
107.04919	1.3
107.08600	13.8
108.08919	1.1
109.02882	100.0
109.06501	6.5
109.10155	5.5
110.03191	0.6
110.10528	0.6
111.04436	5.0
111.08064	4.5
113.05994	1.1
115.04029	0.7
117.07014	2.2
119.04952	1.3
119.08585	34.2
120.08920	1.2
121.06531	4.0
121.10144	13.0
122.10465	0.8
123.04520	0.7
123.08064	9.9
123.11707	4.4
124.08849	1.2
125.09634	67.0
126.09959	0.8
127.03918	66.7
128.06250	1.3
129.05540	0.6
130.07741	0.7
131.08606	3.0
133.06528	1.5
133.10136	28.1
134.10469	1.3
135.08051	1.8
135.11673	4.3
137.06000	1.8
137.09621	3.7
143.08571	4.1
145.04970	7.7
145.06075	0.9
145.10112	4.1
146.07256	0.7
146.10483	0.6
147.04417	5.0
147.08044	15.2
147.11707	2.9
149.06032	1.2
149.09598	1.5
149.13263	1.9
150.13651	0.6
151.07561	1.9
151.11211	3.0
157.10143	1.4
159.08055	0.9
159.11684	2.8
160.11983	0.6
161.05965	0.6
161.09616	18.3
161.13235	2.0
162.10022	0.8
162.13593	0.7
163.07532	1.2
163.11201	2.6
163.14839	1.2
165.09123	19.4
165.61575	0.6
167.10587	0.8
169.10098	0.8
171.08051	1.0
171.11658	1.9
173.13290	2.2
175.11180	0.7
175.14819	2.4
177.16420	2.2
179.10681	14.1
182.74734	0.5
183.11723	1.1
185.13176	1.6
187.14839	5.8
188.15129	1.0
189.09103	14.3
189.10739	1.1
189.12827	0.7
189.16417	3.8
190.16762	0.9
191.14317	0.7
191.18126	0.7
192.14601	0.7
197.13364	0.8
199.11180	1.0
199.14877	0.8
201.16408	3.5
202.16786	1.1
203.10641	0.6
203.17972	2.1
204.18413	0.6
205.15826	1.3
207.10172	19.6
213.16255	0.7
215.14232	0.6
215.17891	1.1
219.13806	0.7
225.11214	44.5
229.15915	1.2
229.19420	0.7
231.13606	0.6
233.11719	1.1
235.17030	0.8
241.19408	0.7
243.12242	0.6
247.17049	1.1
249.11226	1.0
253.15971	0.7
261.18365	0.7
267.12265	4.5
267.17313	0.7
271.17014	1.6
283.89447	0.6
285.18445	1.5
287.05316	0.7
289.17993	1.7
293.68704	0.5
295.16870	0.9
297.13458	1.2
303.19653	0.9
313.17941	3.4
315.12299	2.4
331.19009	11.0
333.13336	4.3
349.20105	9.1
351.14389	8.3
367.21121	0.8
391.20987	4.2
393.31622	1.2
409.22275	0.6
409.33887	0.7
411.32339	0.9
421.22089	1.9
437.33542	1.0
439.21103	0.9
443.34222	1.1
445.22217	0.7
455.34088	1.1
457.22281	11.7
457.32703	1.3
473.35315	2.0
475.23373	7.3
493.24234	0.9
631.30786	0.6
631.38568	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	631.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.2
55.01863	3.3
55.05510	3.2
57.03431	1.5
59.05004	1.0
59.23575	0.9
65.03927	1.5
67.05176	1.0
67.05507	10.9
68.08443	0.8
69.02636	0.8
69.03433	9.7
69.07062	4.6
69.41451	8.5
71.04980	2.9
73.02922	1.4
74.68220	0.7
78.07986	0.8
79.05495	9.8
81.03425	14.1
81.06003	0.9
81.07061	12.8
83.04987	7.8
83.08614	2.5
85.02911	4.5
89.03909	6.8
90.04253	2.2
91.05488	12.9
93.03372	0.9
93.07053	18.5
95.04967	6.5
95.08614	17.8
97.02895	14.4
97.06547	5.8
99.04447	3.9
103.05475	2.4
105.07038	26.6
107.04968	6.1
107.08604	26.4
109.02886	25.0
109.06500	7.3
109.10162	22.6
111.04450	21.5
111.08094	2.5
115.05459	1.7
117.03381	20.0
117.07024	5.3
118.03719	7.2
119.04963	2.5
119.08591	36.7
121.02874	2.2
121.06520	4.2
121.10155	13.3
123.04425	3.0
123.08081	7.1
123.11730	5.3
125.05972	1.5
125.09606	1.1
127.03927	48.0
128.06204	3.3
129.07022	5.1
131.04939	1.9
131.08562	8.3
133.06506	22.3
133.10138	24.0
134.03676	1.1
135.04416	1.4
135.08072	12.1
135.11697	6.1
137.02356	54.7
137.03410	4.4
137.05923	1.0
137.09557	4.2
139.07509	1.8
141.06999	1.8
142.07797	2.7
143.08562	10.5
144.09375	1.8
145.02856	46.0
145.04770	4.0
145.06483	2.4
145.10130	12.9
146.03191	18.4
147.04396	1.2
147.08060	14.8
147.11668	5.8
149.05992	8.9
149.09621	5.6
149.13268	1.1
150.06343	3.8
151.07578	1.2
151.11185	2.2
155.08524	2.0
156.09320	1.9
157.10144	9.2
158.10959	0.9
159.08081	2.3
159.11716	7.7
161.05992	1.0
161.09624	16.7
161.13237	1.9
163.07581	1.5
163.11211	8.6
165.06924	2.1
165.09116	14.7
166.07768	1.9
166.34430	1.0
167.07034	1.7
167.08487	1.5
169.10188	4.8
170.10936	1.0
171.08058	2.9
171.11667	9.3
173.09679	3.2
173.13228	4.5
175.07527	1.5
175.11192	3.5
175.14830	2.2
177.05486	100.0
178.05823	50.9
179.06021	1.4
179.10675	10.6
181.10181	6.0
182.10809	1.0
183.11720	3.1
184.08743	1.2
184.12466	1.0
185.09662	9.6
185.13297	3.0
186.05547	3.2
186.13959	0.9
187.05844	1.2
187.11281	4.2
187.14809	2.7
189.09135	11.4
189.12766	2.4
189.16368	2.8
191.10693	2.6
193.10222	1.3
195.11787	2.1
197.09535	1.6
197.13249	1.7
199.11191	18.5
199.14877	3.2
201.09149	1.3
201.12782	2.4
201.16435	1.8
203.10661	3.2
203.14374	1.0
205.12224	1.9
205.15984	1.0
207.10168	14.1
209.13292	2.0
211.14877	2.4
213.12773	2.8
215.10757	1.8
215.14178	1.4
217.05037	1.1
217.12241	9.3
219.13808	2.4
221.13423	1.3
223.14966	1.3
225.09009	1.8
225.11201	31.1
225.13359	1.6
225.16292	1.6
227.18059	1.2
231.13907	1.3
235.13220	1.9
237.16353	1.3
241.12288	1.5
241.19394	1.0
245.04625	0.9
245.11684	1.9
247.16978	1.2
251.18004	1.8
255.13939	1.1
255.17448	2.9
259.13315	1.4
267.12344	3.4
269.19019	2.3
273.18506	2.2
279.17429	2.4
281.15479	0.8
287.16809	0.9
287.20078	2.5
295.16998	2.1
297.18454	11.5
313.17938	3.7
315.19550	22.2
317.21094	1.2
318.21545	1.1
326.38474	1.0
331.18939	4.1
333.13739	1.0
333.20825	4.1
347.93173	0.9
351.14294	1.3
357.20651	3.6
367.18268	1.0
369.20639	2.5
375.21609	1.5
405.20731	1.7
411.21277	1.1
413.23135	1.1
423.21658	5.2
441.22937	16.9
441.28824	0.9
451.21411	1.6
459.23792	8.9
473.35440	1.1
485.36923	1.0
613.26538	4.4
631.30322	2.7
631.38562	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19735	0.8
54.19988	0.6
55.05499	1.0
57.07081	5.9
57.14583	0.7
58.06599	2.2
65.03933	1.3
65.35655	0.8
67.05489	0.8
69.03420	0.9
70.06593	15.7
71.08611	0.8
71.59795	1.0
81.07070	1.3
85.10178	0.9
88.07637	18.0
91.05505	1.2
93.07053	1.2
93.19240	0.7
95.04967	1.0
97.02869	1.0
97.06538	0.9
99.72607	0.7
102.09183	12.8
105.07030	0.9
107.08603	0.8
119.08623	1.2
127.03970	0.8
139.18112	0.8
149.02356	31.2
175.03986	0.8
177.16388	0.8
184.20711	1.1
193.04980	38.6
194.05405	1.1
219.06543	1.3
228.23244	46.8
229.23502	1.0
237.07617	10.8
272.25845	1.0
285.10245	0.8
297.03992	1.4
313.07187	2.9
341.06580	7.3
359.07602	5.8
385.09180	16.2
385.14038	1.0
429.11835	26.8
430.12112	1.2
630.32751	100.0
631.33289	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	630.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06335	0.1
63.02381	0.3
67.63589	0.1
69.07082	0.2
69.55103	1.1
77.03935	0.2
78.04713	0.3
81.07047	0.2
89.03919	4.6
91.05486	0.6
93.07050	0.3
95.04974	0.2
95.08598	0.2
97.02896	0.2
98.21474	0.3
103.05485	0.8
105.07056	0.2
106.04189	0.2
107.08614	0.2
109.10119	0.2
117.03386	15.4
119.04925	0.2
119.08587	0.4
121.06474	0.2
121.10145	0.4
124.05214	0.2
131.04921	0.8
133.10124	0.5
133.12312	0.1
134.03645	1.1
135.04425	1.3
138.73935	0.2
145.02853	43.4
145.10062	0.2
146.72675	0.1
149.05988	5.9
158.05995	0.4
159.11618	0.2
162.03192	0.2
163.03909	0.5
175.14845	0.2
177.05476	100.0
178.05789	0.4
186.05525	1.6
187.14745	0.2
189.16478	0.2
245.09398	0.1
276.64972	0.1
282.55063	0.1
347.22086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07471	3.3
50.54780	3.1
53.23311	3.1
55.05516	21.7
57.03428	7.7
57.07062	8.8
67.05501	66.4
69.07069	19.1
71.08635	45.8
71.09223	9.2
75.14697	3.3
76.98006	3.7
79.05492	54.0
81.03423	4.6
81.07055	78.3
83.05009	5.6
83.08635	13.2
91.05483	44.4
93.07036	74.1
93.28206	3.0
94.09370	3.4
95.04990	9.0
95.08607	45.1
97.06521	10.5
97.10170	5.5
99.08082	29.5
100.12356	3.5
105.07029	31.9
107.04958	8.0
107.08603	39.1
109.06477	4.4
109.10128	19.1
111.08092	4.2
117.07040	10.9
119.08569	17.4
121.10147	31.7
123.08050	5.3
123.11736	6.6
129.07014	5.5
131.08551	15.9
133.10121	19.6
135.11679	25.4
137.09628	4.2
143.08537	8.6
145.10146	12.8
147.11713	10.3
149.09647	5.0
149.13266	12.2
151.11192	15.2
157.10219	4.9
159.11676	6.8
161.13258	16.3
163.11180	4.7
163.14861	7.2
171.11723	5.1
173.13263	7.2
177.16310	4.6
179.14328	55.2
185.13205	3.8
235.16907	6.0
241.19669	4.0
243.21184	11.0
261.22098	10.8
275.57419	3.2
277.21661	47.5
295.22742	4.5
317.24786	5.9
335.25809	45.8
351.25354	42.5
383.51120	3.4
513.39423	5.6
531.40515	5.9
611.46692	100.0
629.47400	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	629.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.5
55.01839	3.0
55.05496	12.6
55.49727	2.9
57.07063	5.3
67.05502	20.2
67.63618	3.3
69.03416	4.8
69.07067	20.5
71.57893	5.4
73.02934	5.8
79.05483	23.5
81.03414	4.3
81.07056	49.6
83.04955	5.5
83.08617	9.8
83.67316	3.0
85.02919	7.3
91.05475	26.9
93.07043	47.4
95.04964	10.0
95.08609	91.8
97.02888	5.3
97.06516	11.0
97.10185	3.6
105.07035	61.0
107.08596	79.3
109.02847	3.6
109.06519	7.8
109.10162	57.0
111.08062	7.5
117.07014	6.8
119.08578	100.0
121.06492	10.5
121.10143	65.2
123.08076	8.4
123.11718	16.3
125.09589	9.2
129.07050	6.7
131.08557	36.8
133.06494	4.3
133.10138	86.7
135.08070	10.1
135.11702	27.5
137.09598	7.6
139.07582	4.7
141.01813	8.0
143.08531	10.6
144.09320	8.1
145.09041	6.0
145.10130	73.1
145.11256	4.1
147.08008	4.5
147.11702	43.6
149.09612	10.5
149.13252	37.3
151.03888	4.4
155.08493	3.3
156.09293	6.2
157.10181	19.4
159.11681	62.5
161.09654	17.7
161.13252	49.0
163.03860	4.5
163.11211	7.5
163.14830	29.9
169.10117	5.7
170.10840	7.3
171.11676	14.6
173.13261	43.8
175.11160	7.7
175.14816	58.8
177.05518	5.4
177.12764	7.2
177.16385	41.7
179.14371	4.2
183.11694	6.4
184.84583	3.3
185.13254	15.0
187.14825	76.9
189.12732	10.3
189.16374	66.5
191.14310	54.9
191.17917	15.5
193.15872	6.3
197.13281	5.9
199.14851	21.6
201.12585	4.0
201.16386	99.6
203.14331	11.4
203.17957	69.8
205.15933	19.5
205.19615	4.4
207.13744	4.2
209.13489	4.4
213.16391	34.6
215.17957	22.3
217.15894	14.7
219.17459	32.4
221.15363	7.4
221.19044	4.4
223.16919	4.9
225.16396	4.2
227.17934	7.4
229.19481	8.0
231.17433	10.7
233.19032	5.0
235.16913	11.7
239.18088	4.5
241.19476	6.5
243.21109	4.7
247.16945	21.8
249.18616	7.7
253.19305	4.1
261.18506	10.0
267.21295	4.6
269.22614	4.5
275.20041	8.9
281.22797	5.0
283.24081	3.9
304.83209	3.3
327.23181	12.2
341.24582	4.1
377.31985	4.0
379.17398	20.4
389.32086	13.1
395.33224	39.5
407.33176	45.6
409.34601	5.4
423.32513	13.6
425.34216	15.8
435.32578	57.3
441.27817	6.7
441.33658	96.7
453.33600	55.0
471.34787	99.1
512.36859	4.2
565.34674	7.3
583.36377	28.5
593.34772	7.2
611.35858	8.2
629.36450	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	629.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01876	2.3
55.05506	12.2
56.72545	1.6
57.03434	2.5
57.07080	4.2
65.03943	3.3
67.05503	15.8
69.03437	7.9
69.07066	17.3
70.13429	9.3
71.05000	3.1
73.02915	2.8
75.04433	2.0
75.12659	1.7
79.05492	16.3
79.26408	1.7
81.03420	5.6
81.07056	39.5
83.04978	6.3
83.08633	9.6
83.09055	1.6
85.02902	7.8
91.05479	22.9
93.07034	39.1
95.01373	2.7
95.04980	6.9
95.08607	73.1
97.02890	11.8
97.06535	9.2
97.10181	6.4
99.08098	3.5
101.28406	1.7
102.93758	1.8
105.07030	52.9
107.04962	2.8
107.08592	76.3
109.02869	9.5
109.06515	6.9
109.10150	51.2
111.04450	7.9
111.08093	6.2
117.03386	2.6
117.07036	7.0
119.08578	95.7
121.06524	7.4
121.10141	56.4
121.11027	2.5
123.04448	2.0
123.08070	9.9
123.11705	17.4
125.09631	12.5
127.03921	16.0
129.07010	3.8
130.07761	2.3
131.08562	31.2
133.06448	8.3
133.10133	65.5
135.04411	4.3
135.08069	8.6
135.11685	25.3
137.05972	3.1
137.09612	6.5
137.13249	3.8
139.07550	2.0
139.11020	1.7
141.01843	4.5
142.07826	2.7
143.08565	13.1
144.09398	2.4
145.02824	5.2
145.10118	63.5
147.08047	6.5
147.11681	36.4
147.12782	2.7
149.05963	2.7
149.09610	10.4
149.13245	22.0
151.07466	2.3
151.11200	4.7
153.09140	3.9
155.08556	3.0
156.09232	2.5
157.10135	20.8
158.10898	3.7
159.08119	2.1
159.11681	57.3
161.09605	13.7
161.13251	36.3
163.03917	18.6
163.11234	10.2
163.14832	24.9
165.09058	2.3
165.12842	2.5
167.07060	7.7
167.67635	1.8
169.10144	4.4
170.10857	2.4
171.11693	17.2
173.13264	33.3
175.11186	4.7
175.14828	45.5
177.05470	9.8
177.12773	4.1
177.16360	30.7
179.10706	4.3
179.14328	2.0
181.04898	4.4
181.10176	3.7
183.11716	4.2
185.09625	3.9
185.13249	12.2
187.11269	3.5
187.14810	69.3
189.09123	2.7
189.12834	8.2
189.16386	59.4
189.18117	3.4
191.10634	1.8
191.14308	31.4
191.17973	13.2
193.12276	2.3
193.15956	7.6
195.11777	2.7
197.13293	6.6
199.11237	5.8
199.14807	24.0
201.16374	95.6
203.14359	8.0
203.17955	56.9
205.15880	14.9
205.19566	3.2
207.10124	3.7
207.17358	2.6
209.08002	2.2
211.14674	3.2
213.09050	1.9
213.16365	25.5
215.17955	20.6
217.12288	2.7
217.15932	9.3
217.19583	3.0
219.17455	28.6
221.15369	3.7
221.19011	2.0
223.14903	2.4
225.11197	10.0
225.16318	3.8
227.17947	7.7
229.15889	2.5
229.19508	8.6
231.17439	11.5
233.15305	2.2
233.19066	4.8
235.16983	11.8
235.55344	1.9
237.16466	2.8
239.17989	4.6
241.19434	4.2
243.21008	2.1
245.19116	2.0
247.16980	18.2
249.18570	7.3
253.19392	3.5
255.21179	3.6
259.17035	2.9
261.18503	11.9
271.85281	2.1
273.18671	2.5
275.20093	5.3
281.22653	7.9
283.24161	3.7
287.20126	3.1
295.24359	2.4
297.18546	3.6
313.17947	2.7
315.19623	8.3
327.23257	16.1
329.24640	1.9
331.18976	2.0
341.24710	5.1
355.26331	2.4
358.06201	1.8
363.17990	3.0
377.31839	4.9
379.17407	10.8
389.32068	14.6
395.28812	2.5
395.33185	26.0
403.42950	1.8
407.33102	43.4
409.34433	4.6
417.31293	2.5
423.22086	2.1
423.32562	13.4
425.34061	9.6
435.32562	54.1
441.22943	2.9
441.27783	3.7
441.33643	53.8
453.33667	42.6
471.34708	100.0
472.35324	2.7
565.34967	6.2
583.36523	18.8
611.36072	9.3
629.37000	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	629.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05292	1.5
55.05502	8.7
57.03440	2.1
57.07066	3.0
65.03935	2.0
67.05505	15.7
69.03403	5.2
69.07063	15.8
69.65067	8.8
71.01353	2.0
71.03974	1.7
71.04964	3.1
79.05492	11.4
81.03422	2.0
81.07059	36.2
83.04989	3.2
83.08604	8.1
85.02890	7.4
85.06510	1.6
89.40363	1.6
91.05478	20.3
93.07041	37.8
95.01307	2.3
95.04961	3.8
95.08609	67.2
97.02898	6.1
97.06532	7.1
97.10174	6.0
103.03937	1.7
103.38689	1.6
105.06316	1.5
105.07030	44.8
107.08595	63.1
109.02889	6.0
109.06525	5.5
109.10155	48.3
111.08096	5.4
113.02431	1.9
117.07016	7.4
119.08581	74.9
121.06488	7.0
121.10142	49.8
123.04368	2.2
123.07256	1.6
123.08078	6.8
123.11672	12.5
125.09656	18.9
127.03912	4.2
129.07002	3.7
130.07730	2.5
131.08560	29.2
133.06512	2.0
133.10138	57.8
134.33600	1.6
135.04401	2.8
135.08080	4.5
135.11693	31.0
137.09642	4.9
137.13260	3.5
141.01772	4.3
141.06963	2.2
142.07761	3.5
143.08569	11.0
145.02826	2.4
145.10127	58.5
147.08046	5.0
147.11684	35.0
149.09676	8.4
149.13261	25.0
151.11180	3.3
153.09157	2.4
155.08589	3.7
156.09386	2.5
157.10124	15.4
158.10890	3.0
159.10432	3.5
159.11696	50.8
161.09630	12.0
161.13257	35.9
163.03918	10.0
163.11189	8.3
163.14830	24.7
165.09056	2.8
165.12775	1.8
167.07045	6.5
169.10161	3.4
170.10852	2.3
171.11655	15.3
172.12480	1.9
173.09665	2.0
173.13255	35.5
175.11240	3.0
175.14827	49.2
177.12772	4.1
177.16393	29.0
179.14273	2.3
181.04875	3.0
183.11726	4.4
184.12502	2.3
185.13240	11.4
187.14833	63.5
189.12801	7.5
189.16388	61.0
191.14311	26.7
191.17926	12.0
193.15865	5.6
195.11723	3.0
197.13232	4.9
199.14821	25.6
201.16388	100.0
203.14294	5.7
203.17957	55.2
205.15881	11.2
205.19585	3.1
207.17339	2.8
209.08035	1.7
211.14786	2.8
213.16388	26.4
215.17920	24.4
217.15913	7.5
217.19557	2.8
219.17435	30.5
221.15338	4.0
221.96796	1.5
225.16438	3.7
227.17976	7.1
229.15891	2.8
229.19521	14.0
231.17455	11.5
233.15385	2.2
233.19000	5.8
235.16940	11.3
239.17935	5.3
241.19496	6.2
243.20930	2.2
245.15337	2.3
247.16965	16.4
249.18504	5.2
253.19547	3.8
255.21211	2.5
257.19138	2.1
259.17236	1.8
259.20395	2.0
261.18420	12.0
269.22571	2.0
275.20102	3.4
277.07172	2.1
281.22620	5.9
283.24149	5.7
286.50937	1.5
295.24353	2.7
327.23190	12.4
329.24857	2.4
334.51563	1.8
341.24680	5.0
355.26581	1.7
377.19644	2.5
377.31992	3.0
379.17395	9.3
389.19708	1.9
389.32178	12.7
391.33667	1.6
395.33182	25.5
407.33109	48.9
409.34558	5.9
423.32520	10.3
425.34250	9.8
435.32642	60.5
441.33646	49.9
453.33649	42.1
457.21713	1.9
471.34702	96.8
487.57455	1.6
512.37360	2.1
565.34906	3.7
583.36511	16.1
593.34180	2.4
611.35614	7.6
629.36951	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	629.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02410	2.8
53.03939	6.7
55.01866	6.0
55.05505	12.7
57.07068	3.5
62.60508	3.0
65.03932	10.0
67.05516	29.1
69.03426	25.0
69.07078	16.0
69.72407	21.2
71.04969	6.6
79.05492	27.9
80.01631	2.4
81.03423	31.8
81.07064	41.0
82.90997	3.0
83.01373	3.1
83.04985	14.3
83.08620	9.5
85.02917	10.2
91.05480	44.0
93.07047	55.0
95.04971	12.2
95.08611	60.2
97.02913	35.4
97.06530	13.7
99.04440	11.4
105.03391	2.9
105.07034	76.9
107.04979	15.2
107.08603	78.4
109.02883	47.0
109.05824	3.4
109.06498	16.0
109.10162	69.8
111.04465	40.1
111.08066	6.6
113.05984	3.4
115.05427	3.9
115.68447	3.0
117.07024	10.6
117.76992	3.1
118.52034	2.6
119.08590	100.0
121.01994	4.5
121.02877	87.4
121.03821	5.3
121.06501	12.4
121.10153	35.7
123.04430	9.8
123.08096	16.9
123.11704	15.2
125.06010	4.7
127.03920	83.1
128.06215	7.3
129.07010	12.1
130.07790	4.6
131.08572	26.4
133.06485	43.7
133.10135	72.4
135.08047	32.8
135.11723	18.9
137.05986	4.4
137.09608	10.8
141.06995	3.8
142.07784	7.3
143.08542	25.1
145.04984	5.5
145.06480	10.1
145.10132	38.4
147.04349	3.3
147.08057	35.5
147.11688	16.8
149.09634	14.4
149.13272	9.1
151.11179	6.9
152.61484	2.9
153.05577	3.3
153.93481	3.3
155.08559	8.0
156.09369	7.2
157.06470	3.7
157.10146	24.4
159.08046	8.2
159.11691	32.8
161.09636	41.5
161.13257	11.7
163.07487	6.0
163.11211	26.8
163.14804	9.3
165.09109	30.4
166.07787	5.4
169.10129	10.3
170.11047	3.3
171.08032	7.8
171.11682	25.7
173.09644	9.9
173.13289	17.0
175.11201	9.1
175.14809	12.8
177.16397	10.8
179.10687	21.3
181.10136	16.6
183.02615	3.5
183.08096	3.1
183.11708	5.0
185.09644	26.9
185.13239	13.2
187.11205	7.9
187.14813	26.3
189.09161	21.2
189.12726	8.6
189.16443	16.3
191.10707	7.1
191.14323	13.5
195.11713	4.7
197.09631	3.4
197.13319	6.1
197.32120	2.9
199.11200	48.6
199.14853	9.3
201.12785	4.4
201.16429	22.3
203.10619	4.7
203.14276	5.7
203.17986	17.2
205.15970	5.1
207.10118	31.9
209.13329	6.9
211.14853	6.4
213.12708	7.2
213.16467	9.8
215.14209	3.8
215.18048	6.3
217.12277	29.8
217.15750	5.8
219.13803	9.7
219.17445	6.8
225.11227	77.6
225.16425	6.1
227.14163	6.0
229.19469	5.3
237.16513	4.5
241.12280	3.7
247.17032	3.2
249.18434	3.9
251.18137	6.6
255.17511	6.8
267.12259	8.6
267.17459	3.8
269.18896	5.8
273.18521	4.1
279.17499	7.1
287.20029	7.2
297.18494	24.4
313.17944	8.5
315.19611	50.9
333.13290	7.1
333.20520	5.4
357.20657	9.1
379.17593	4.4
389.31824	3.6
395.33041	11.2
407.33051	11.3
423.21689	9.9
435.32544	12.9
441.22827	27.8
441.33340	17.0
453.33575	13.2
459.23749	12.8
471.34760	18.9
507.60193	3.2
583.36145	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	629.2237
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
53.14698	0.6
55.05502	1.5
56.96560	0.9
57.44778	0.7
61.02924	0.8
67.05511	3.6
69.03429	1.7
69.07074	1.2
70.73293	1.9
73.02953	0.9
79.05482	1.9
81.03394	1.1
81.07040	5.9
85.02904	3.3
88.49915	0.7
91.05473	1.4
93.07037	3.1
95.04959	1.2
95.08594	6.6
97.02883	1.2
99.08067	0.9
105.07024	2.6
107.08599	2.4
109.06506	5.4
109.10162	1.4
111.04478	0.9
119.08604	2.3
121.10140	1.7
123.08073	2.7
131.08586	0.9
133.10127	1.4
135.08133	0.8
137.13278	1.7
145.10098	1.3
145.75980	0.8
147.11668	1.3
153.01862	1.1
157.10107	1.1
159.11743	1.0
161.01231	1.2
165.12758	4.5
197.13208	0.8
213.16414	1.0
217.05019	2.1
245.04388	1.9
273.04016	2.8
285.03796	1.1
301.03403	4.4
303.05005	13.4
371.55222	0.7
398.13721	0.9
400.15335	1.3
410.13669	2.3
411.14600	7.5
412.15475	4.6
413.15872	4.5
423.14648	1.1
424.15799	1.9
425.11649	1.1
425.16278	15.3
426.16855	9.9
427.17838	3.7
428.18665	2.9
438.12839	2.2
439.13522	18.2
440.13644	1.9
440.19312	5.9
441.19330	33.7
442.19949	4.2
443.17056	0.8
452.14899	2.8
453.05991	0.9
453.15213	20.3
454.15549	5.2
456.18079	2.1
457.14526	1.5
458.15631	1.0
459.20959	1.1
463.13812	1.1
467.17072	44.9
468.17926	19.9
469.18970	11.7
470.19824	1.6
471.16833	1.7
478.15942	1.0
480.17117	1.5
481.14468	9.4
482.15054	1.0
482.20395	1.4
484.21240	3.3
485.22583	1.0
486.19370	0.9
495.16962	3.0
496.17117	18.0
497.17746	3.2
498.19080	1.1
500.21051	3.8
509.18903	1.7
511.19775	1.0
512.20349	3.1
513.21838	5.3
514.22534	1.0
522.17444	1.3
523.19464	2.1
526.17792	1.0
528.19751	2.3
537.19598	1.5
540.17310	0.9
541.20819	38.1
542.21118	2.4
556.19830	1.0
568.19177	1.3
569.20270	93.8
570.20569	7.9
573.23254	2.3
597.19684	30.3
598.20032	1.3
600.22235	1.2
601.22955	12.0
602.22974	1.2
615.20709	1.6
629.22192	100.0
630.22394	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	628.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74534	0.7
53.03958	0.8
55.01875	1.0
56.68209	0.7
65.03926	2.9
65.75973	0.7
67.05492	2.5
67.34147	0.6
69.03408	0.8
69.07059	1.5
70.62279	2.7
71.60915	0.8
72.17295	0.7
73.45452	0.7
79.05482	1.7
81.06580	1.1
81.07055	21.3
83.04967	0.8
89.03899	2.9
91.05434	1.5
93.03400	6.3
93.07033	1.2
95.04960	1.8
95.08583	3.0
97.02887	95.0
105.07014	1.7
107.04935	1.8
107.08541	1.2
109.10185	0.8
110.85600	0.7
111.04418	1.5
113.92785	0.8
117.03371	2.5
121.02934	1.0
121.10133	0.9
123.04469	1.1
125.02383	0.9
128.06212	1.2
129.07002	6.4
131.08598	1.1
133.10106	0.8
135.04411	12.8
135.08075	0.8
135.11687	1.2
137.02327	3.3
137.05931	1.1
137.13231	5.4
139.03815	1.0
139.05420	1.1
141.06975	2.7
145.02841	7.8
147.04393	1.2
147.08029	1.5
147.11760	0.8
149.02327	4.9
152.18069	0.8
157.06503	7.5
163.03897	100.0
164.04256	2.0
167.01953	1.4
167.03397	28.1
167.04764	1.4
167.07019	1.5
169.06512	2.2
173.05998	2.4
174.06750	0.9
175.03973	0.9
175.07552	16.9
177.05493	0.8
185.05978	11.2
187.07484	1.1
195.04318	0.9
201.05470	2.6
203.06989	9.8
213.05476	7.2
231.06511	15.2
233.15341	1.0
259.06070	2.7
277.07065	56.4
278.07382	1.0
281.76801	0.7
295.08121	9.4
400.89120	0.7
431.20602	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01869	1.4
65.03931	4.3
67.05494	1.7
69.03418	1.6
71.20813	1.1
72.62462	0.5
79.05490	1.2
79.08315	0.6
81.03420	1.4
81.07042	2.9
83.04981	1.1
85.02903	1.5
89.03922	2.9
91.05470	1.8
93.03407	7.6
93.07027	1.7
95.04981	1.0
95.08598	1.4
95.26434	0.5
97.02884	99.9
97.59639	0.5
98.03240	0.8
99.04448	0.6
105.07027	2.1
107.04949	1.5
107.08585	1.3
109.02870	2.3
109.10181	2.5
111.04461	1.8
116.03935	0.5
117.03357	3.3
117.07005	0.9
119.08598	2.3
120.27698	0.6
121.02856	1.2
121.06487	0.8
121.10149	1.2
123.04414	1.5
123.08119	0.7
123.11659	0.7
125.02406	1.0
125.05946	0.5
127.03872	2.7
128.06226	1.3
129.06990	7.8
133.05211	3.7
133.06311	0.8
133.10123	2.1
134.05533	1.0
135.04408	9.4
135.08011	0.9
135.11668	0.9
137.02361	3.2
137.06021	0.8
139.03893	0.9
139.05380	1.5
141.07016	2.9
145.02820	10.4
145.03851	0.9
145.06441	0.6
145.10115	0.7
147.04425	1.3
147.08066	2.1
149.02348	4.7
149.05931	0.7
154.89592	0.5
157.06506	7.7
157.10129	0.7
160.05157	0.8
161.09564	0.9
163.03891	100.0
164.04245	1.8
165.09119	1.7
167.03395	32.9
167.04765	1.3
167.06998	3.1
169.06494	2.7
173.05986	2.6
173.13213	0.6
174.06641	0.9
175.03905	1.1
175.07541	18.0
177.05574	0.9
181.05008	0.8
185.05954	12.1
185.09517	0.7
187.07494	1.0
189.09068	0.9
193.04892	0.7
193.08560	0.9
195.04359	0.7
200.51028	0.6
201.05482	2.3
203.07019	8.2
207.10046	1.3
209.08078	1.2
213.05463	7.6
224.07132	0.9
225.11156	3.6
231.06506	18.6
232.06837	0.9
233.08145	0.6
241.04921	0.8
249.07863	0.5
259.06036	5.6
277.07053	81.8
278.07440	0.6
295.08112	14.6
297.18317	0.9
315.19287	0.7
325.09189	1.4
332.19513	0.6
418.15778	1.1
431.20288	0.8
585.19556	1.0
629.18396	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84936	1.7
53.03944	6.3
55.01867	9.1
55.05514	36.9
57.03438	12.4
57.07079	3.5
59.05006	1.9
65.03941	5.1
67.05508	92.7
69.03423	4.0
69.07072	32.9
70.86932	3.5
70.87315	3.0
71.04998	7.6
72.19579	1.8
75.04442	2.0
79.05495	65.5
81.03449	4.9
81.07060	100.0
83.04974	4.2
83.08637	12.8
85.06551	4.0
91.05484	55.2
93.07050	74.8
93.07628	4.0
95.04971	15.5
95.08609	66.7
97.06523	13.3
97.10171	11.6
97.15316	1.7
98.98457	2.6
99.08130	5.0
104.45048	1.8
105.07036	56.2
107.04945	9.7
107.08593	42.4
109.06508	11.4
109.10161	26.5
111.08077	8.8
117.07014	21.7
119.08581	40.1
120.08943	1.9
121.06543	6.3
121.10136	33.8
123.08109	5.2
123.11692	9.8
125.09676	5.7
128.06175	1.7
129.06975	9.0
131.08582	31.0
133.06520	2.7
133.10138	27.4
135.08086	5.9
135.11703	18.9
137.09633	3.7
137.13263	2.7
141.06992	2.1
142.07758	2.2
143.08640	10.2
145.10130	25.4
147.08043	2.5
147.11687	25.4
149.09610	11.1
149.13260	9.1
151.11212	3.4
155.08575	3.2
157.10144	12.1
159.11700	20.6
161.13312	10.6
163.11273	6.0
163.14867	3.3
165.12828	3.7
169.10193	6.8
171.11732	6.1
173.13280	10.1
175.11223	2.0
175.14880	4.9
179.14410	2.2
181.10156	2.3
183.11819	5.4
185.13275	8.2
187.14809	10.7
189.11307	2.2
189.16449	2.2
195.11789	3.6
197.13312	5.9
199.14954	4.3
201.16479	4.9
203.18158	1.7
205.15924	6.3
211.15009	4.4
213.16469	2.1
215.18021	3.0
219.17488	4.7
227.12892	4.9
229.19617	2.9
232.48264	1.8
233.19258	2.3
237.16609	1.7
239.18031	3.4
241.19600	2.7
243.21201	1.9
257.19135	8.8
259.20734	5.5
261.22229	7.1
273.18692	2.2
275.20068	49.9
277.21634	3.2
293.21188	5.3
299.23740	2.0
315.23090	2.2
317.24869	3.4
333.24356	3.0
335.25848	35.1
349.23801	26.0
367.24811	1.9
367.29745	2.0
381.58847	2.0
385.95920	2.3
455.34360	2.8
463.36240	2.4
517.40472	3.3
529.38855	12.1
535.41791	5.8
553.42889	4.1
555.40472	7.8
567.22308	5.9
609.45117	49.4
627.25159	10.5
627.46277	87.5
628.46466	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22019	3.2
53.03938	6.4
55.01871	26.0
55.05510	42.2
57.03418	12.7
57.07050	3.5
65.03918	4.9
67.05505	100.0
69.07073	42.5
71.04984	9.8
71.60695	4.9
79.05061	5.2
79.05492	79.7
81.03407	9.6
81.07059	98.4
83.04973	11.0
83.08619	24.1
85.06575	5.1
91.04953	5.5
91.05486	59.1
93.07047	78.5
95.04946	15.9
95.08616	69.8
97.06516	25.8
97.10184	7.6
99.08115	5.2
105.07030	72.2
107.04939	15.4
107.08589	58.8
109.06507	11.3
109.10165	43.1
111.08067	5.9
115.05466	3.2
117.07030	24.3
119.08581	46.6
121.06485	7.5
121.10130	35.2
123.08022	5.7
123.11677	12.7
125.09625	10.5
128.06203	4.2
129.07002	14.9
131.08571	41.4
132.17213	3.4
133.10118	34.6
135.08055	4.7
135.11734	18.9
141.07039	5.5
142.07738	5.1
143.08542	14.6
145.10130	40.8
147.11674	30.9
147.97676	3.5
149.09627	27.0
149.13263	9.1
155.08545	4.8
157.10123	16.6
159.11699	28.2
161.13260	13.2
163.11165	9.4
163.14832	6.7
165.12729	3.4
169.10109	12.2
171.11694	14.6
173.13231	22.2
175.11337	3.8
175.14793	4.4
177.12732	3.9
183.11655	10.0
185.13216	11.4
187.14856	10.7
189.11217	6.8
189.16466	3.7
191.14270	4.0
197.13286	8.2
199.14795	6.1
201.16292	5.4
211.14906	5.8
219.17453	5.1
219.91521	3.4
225.16277	3.6
227.12727	11.1
229.19331	4.9
239.17984	7.5
243.21162	4.4
247.20581	3.2
257.19019	11.2
259.20663	4.2
261.22092	5.8
267.15839	3.8
273.84363	3.2
275.20090	75.0
277.21613	7.6
293.21106	6.8
294.47180	3.1
335.25812	48.5
349.23642	39.3
351.25580	4.9
367.29935	6.7
382.41858	2.9
404.85660	3.2
502.25656	3.5
515.36768	7.8
517.40137	5.8
529.31714	3.5
529.39001	40.6
535.41229	6.0
555.40100	7.9
609.36121	5.1
609.45178	87.8
627.36938	3.9
627.46222	70.1
628.46777	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	627.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
53.04573	3.3
55.05517	14.0
57.03429	7.7
57.07072	8.0
67.05505	47.8
69.07075	24.6
71.05013	4.5
71.08630	47.8
71.58994	6.6
73.40038	3.8
79.05499	41.7
81.03408	4.6
81.07059	56.5
83.04996	4.4
83.08626	12.5
91.05471	42.7
93.07043	52.8
95.04966	7.1
95.08605	41.7
97.06538	9.2
99.08096	32.1
105.07037	36.6
107.04955	6.2
107.08580	29.0
109.10168	14.0
111.08047	5.2
117.07028	15.5
119.08583	28.6
121.10161	16.5
123.11678	4.2
125.09628	5.0
128.06258	4.3
129.07011	15.2
131.08577	25.4
133.10164	21.2
135.11700	16.3
141.07014	4.3
143.08563	15.1
145.10141	18.7
147.11668	19.9
149.13232	7.3
150.64914	3.4
151.11198	11.1
155.08539	8.1
157.10127	12.3
159.11710	13.8
161.13266	22.2
163.14883	4.2
167.08638	4.3
169.10165	7.0
171.11662	17.6
173.11813	8.1
173.13260	16.1
175.14865	6.3
179.14310	28.8
181.10167	5.9
183.11694	8.8
185.13278	12.2
187.14778	6.0
197.13332	7.7
199.14828	5.1
213.16417	6.1
241.19475	17.9
259.20554	21.5
275.20200	9.5
277.21698	33.6
311.23532	3.9
315.23236	10.5
333.24323	24.4
345.81085	4.3
346.10861	4.3
348.98331	4.3
351.25409	27.5
419.33432	4.5
437.34277	18.5
443.41083	3.8
511.37872	14.1
513.36017	8.2
517.40204	7.3
529.39209	6.2
535.41333	8.2
553.43091	5.9
609.45081	57.8
609.54260	6.9
627.46399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89156	1.2
55.05503	1.7
67.05505	2.3
68.88694	1.3
69.54368	10.0
73.64368	1.1
81.07066	2.3
91.05446	1.2
95.08594	1.9
131.07321	1.9
167.13121	1.3
174.09207	4.5
182.15916	1.2
187.12358	4.9
188.10721	3.2
200.09399	1.5
215.11845	3.3
225.10193	2.3
227.11938	2.0
235.08517	1.4
239.11829	3.3
241.13449	1.4
243.11317	22.0
249.10075	1.2
251.11812	2.4
267.11377	8.4
277.09796	2.1
278.10535	1.4
295.10736	3.1
299.10538	1.3
299.14111	1.5
301.15591	1.7
316.10959	1.6
325.15442	10.2
327.13651	2.4
329.11816	1.3
330.12573	3.4
334.15536	1.7
342.12430	3.9
343.13483	2.3
344.13956	4.4
345.15002	1.8
346.15552	3.0
348.13440	5.0
351.13000	1.4
356.14017	3.2
357.14822	1.7
358.15637	3.4
370.15549	3.0
372.17239	4.7
374.15289	1.5
376.07849	1.5
380.13867	1.4
382.15891	1.3
386.14856	3.3
386.18973	2.5
400.16730	3.8
403.16257	2.4
412.16553	1.3
419.19012	1.5
420.16269	1.5
431.18317	1.7
432.19199	4.4
433.20782	2.2
435.14322	2.0
437.20117	2.9
445.20572	1.2
447.22238	1.9
450.16812	1.9
451.17084	2.2
460.18607	1.7
461.23550	3.5
462.25079	1.5
463.21466	2.1
465.18811	14.6
475.21848	1.3
477.19354	3.3
478.20093	1.4
479.20447	6.4
480.21823	5.0
481.22430	4.3
489.22647	2.2
490.20486	1.6
492.21774	4.2
493.22430	5.0
504.20560	2.0
507.24060	3.4
508.21118	1.5
520.20874	1.5
535.23657	7.2
549.25116	13.8
552.24042	1.8
563.22815	1.7
567.26086	84.9
577.24451	2.8
595.25507	100.0
596.26007	1.8
627.28137	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
54.05689	0.5
57.02250	0.6
59.04992	1.4
67.05499	1.0
67.57997	0.5
69.03445	0.5
69.07056	0.6
79.05494	0.9
81.07060	0.9
91.05499	1.0
93.07039	0.6
95.08598	0.7
105.07034	2.8
107.08589	0.7
108.08085	0.6
119.08551	1.1
121.10171	0.6
128.50166	0.5
131.07292	0.6
131.08585	1.0
136.07533	1.2
143.08493	0.6
145.10146	0.9
146.09604	0.8
155.08560	1.7
157.10150	2.3
159.11732	1.6
171.11684	1.3
174.09129	3.7
177.06012	0.6
181.10126	0.8
183.11731	0.8
185.07239	0.5
186.09187	0.6
187.08723	1.0
187.12289	3.1
187.74393	0.6
188.10773	1.6
195.11671	1.0
196.09880	0.7
199.08667	0.7
200.09435	0.7
211.08707	1.7
211.14897	1.5
212.09355	0.6
213.16370	1.0
215.11792	2.5
222.09164	0.7
224.09335	0.7
225.10284	2.4
227.11877	2.2
227.17969	1.0
235.08672	1.3
237.10229	0.7
237.16425	0.8
239.08025	0.8
239.11919	2.6
241.09839	0.7
241.13399	2.2
243.08827	0.9
243.11298	17.6
249.10268	1.8
251.11832	1.6
253.09785	0.8
255.17435	2.6
265.09930	0.6
267.11246	4.7
269.12811	1.3
277.09851	1.8
285.12448	1.9
291.11093	0.8
292.11465	0.6
295.10822	2.1
299.13968	1.3
301.15573	3.0
309.12445	1.9
311.14233	0.6
313.12112	0.7
314.13019	1.2
315.19574	2.9
316.10864	1.1
316.14536	0.9
317.12207	0.6
319.10840	0.6
319.14542	0.5
320.13766	0.9
325.15594	5.8
327.13345	4.6
328.10989	1.3
328.14734	1.0
329.11981	0.7
330.12439	1.5
330.16132	0.5
332.13885	0.7
334.15509	1.2
340.10760	0.6
342.12518	2.7
342.16144	1.1
343.13342	2.4
344.13965	2.6
344.17929	0.8
345.14966	0.7
346.15491	2.2
348.13422	2.5
351.13416	1.2
354.12469	0.8
355.13211	1.0
356.13913	2.7
357.14651	1.2
358.15613	1.8
359.16171	0.6
360.17346	0.8
368.14011	0.7
370.15613	1.0
372.17355	3.1
384.17191	0.8
385.17926	0.8
386.14713	1.1
386.18997	1.3
398.14844	0.8
400.16782	2.5
403.16171	1.3
406.18896	0.8
416.15976	1.0
417.16318	0.7
418.17767	1.1
419.18610	1.3
421.16934	0.8
422.18237	1.0
430.17633	0.6
431.18686	1.0
432.19519	2.7
433.20795	0.8
435.14594	1.7
437.20679	1.2
447.22000	1.7
449.15424	0.9
449.20685	0.8
451.17783	1.8
455.22629	2.7
460.18729	1.1
461.23669	1.2
462.24225	1.9
463.21207	2.0
465.18735	8.8
478.19653	0.8
479.20505	5.0
480.21265	3.0
481.22427	1.7
489.23047	0.8
490.22147	1.1
491.20895	0.8
492.21542	2.3
493.23444	2.6
494.23254	1.0
495.17041	2.7
503.21594	0.6
504.21344	1.8
506.23148	0.7
507.23975	4.3
517.22119	1.1
520.21130	1.0
535.23138	3.9
539.26526	0.9
549.24976	9.8
552.23608	0.9
553.24463	1.7
567.18872	3.4
567.26093	46.9
577.24231	0.7
581.27716	0.7
585.20074	0.6
595.25531	35.4
609.26764	0.7
612.25201	0.6
627.28162	100.0
628.20630	3.8
628.30383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01868	0.6
55.05505	0.4
56.96572	0.6
57.03428	0.7
67.05519	0.3
69.03430	2.7
69.07045	0.3
70.06591	0.4
71.01365	0.6
71.04985	0.3
71.11076	0.5
71.11401	0.2
72.19855	0.3
79.05495	0.4
81.03413	1.5
81.07068	0.5
83.04989	0.3
83.08610	0.3
83.49567	0.2
84.08118	0.3
85.02905	2.6
86.09678	0.3
87.04509	0.2
89.03880	1.1
91.05474	1.1
93.07039	0.3
95.04981	1.3
95.08606	0.5
97.02894	6.3
98.97603	0.3
99.04462	0.8
105.07053	0.3
107.04926	0.3
107.08598	0.2
109.02882	1.3
109.06499	0.3
109.10168	0.4
111.04463	0.2
115.03918	0.5
116.98676	0.4
117.03382	5.4
119.04913	0.6
121.02866	0.3
121.06489	0.3
123.04395	0.3
125.02354	0.2
127.03918	100.0
128.04251	0.5
133.10127	0.6
134.99689	0.3
135.04430	0.6
135.08080	0.4
137.06000	0.6
137.17444	0.2
140.04694	0.4
145.02850	18.3
146.03178	0.4
147.04433	2.2
148.04778	0.3
149.06003	1.6
151.03932	0.2
155.07004	0.6
159.02901	0.4
161.05989	0.4
163.03920	0.5
165.05493	0.3
167.07097	0.6
177.05472	40.5
178.05753	0.5
179.07024	1.0
181.04965	3.3
186.05467	0.5
191.14372	0.6
195.06532	1.9
207.06551	3.2
209.15451	0.2
219.01686	0.3
242.60495	0.3
303.05023	3.0
321.09601	1.4
333.13245	0.9
339.10754	17.7
343.52234	0.3
361.12894	0.7
379.13962	0.4
410.85117	0.3
465.10345	0.4
501.15561	0.8
627.19781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
57.03428	0.5
57.45359	0.2
61.02929	3.8
65.03919	0.3
67.33163	0.2
68.99783	0.3
69.03437	1.0
70.06581	0.5
71.04999	0.3
71.58913	0.4
73.02918	0.9
81.03407	0.7
81.07057	0.3
84.08136	0.2
85.02908	4.8
91.03954	2.1
93.03414	0.2
93.07021	0.2
95.04968	0.3
97.02883	1.9
98.97587	0.3
99.04456	0.2
109.02881	0.6
110.07187	0.2
111.00804	0.9
111.05573	0.2
113.04650	0.2
115.03932	0.4
116.01714	0.2
116.98595	0.3
121.02853	0.8
123.04400	0.2
127.03916	1.7
135.04372	0.4
137.02339	2.6
137.03372	0.2
140.99057	0.2
145.02837	0.3
145.04927	0.6
149.02350	0.4
153.01822	2.7
161.05986	0.2
163.03893	1.2
165.01845	1.7
166.02625	0.3
173.06006	0.2
177.00941	0.2
177.05592	0.3
179.94551	0.2
183.02892	0.6
195.03032	0.2
201.05519	1.0
203.07469	0.4
205.05104	0.2
209.93343	0.2
219.03059	0.2
229.04973	3.4
237.02808	0.3
247.06061	0.5
257.04456	2.4
261.10181	0.2
274.04788	0.6
285.03964	1.3
303.04987	100.0
304.05341	3.3
430.65317	0.2
447.09387	0.2
465.10287	11.3
466.10614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30596	0.1
53.03925	0.4
55.01848	0.4
55.21866	0.1
56.96560	0.2
57.03415	0.6
61.02929	1.0
68.99776	0.3
69.03090	0.2
69.03429	2.2
70.06573	0.5
71.04972	0.3
71.58694	0.2
73.02900	0.4
81.03412	1.2
85.02901	6.7
86.09650	0.2
87.04472	0.3
91.03928	0.3
91.05457	0.2
93.03363	0.2
95.04984	0.3
95.72361	0.1
97.02887	2.4
99.04444	0.4
109.02858	0.9
111.00791	0.7
112.10813	0.1
121.02840	0.7
127.03924	1.5
135.04388	0.2
137.02336	3.1
145.02853	0.1
145.04968	1.0
145.06396	0.2
147.04425	0.5
149.02315	0.3
153.00700	0.3
153.01830	2.7
153.93597	0.1
161.05945	0.2
163.03902	0.5
165.01833	1.8
166.02516	0.2
177.05527	0.3
183.02968	0.7
187.03835	0.2
195.02815	0.2
201.05450	1.1
205.05009	0.2
219.06578	0.2
229.04915	3.3
247.05917	0.7
257.04428	2.9
267.02811	0.2
274.04694	0.7
275.05533	0.2
285.03946	0.8
303.04974	100.0
304.05325	3.1
345.06042	0.2
371.76682	0.2
411.25906	0.2
465.10272	9.4
466.10666	0.3
627.15936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01867	0.6
57.03438	1.5
59.25233	0.1
61.02927	2.3
65.03948	0.2
68.99801	0.4
69.03428	6.7
70.06582	0.3
70.91645	0.3
71.01353	0.3
71.04985	0.6
73.02923	1.2
81.02975	0.2
81.03421	2.7
81.04530	0.2
81.62643	0.1
83.01355	0.3
85.02905	18.2
86.09733	0.2
87.04467	1.1
89.03909	0.2
91.03982	0.7
91.05476	0.2
93.03411	0.3
93.57328	0.1
97.02894	5.4
99.04451	1.3
101.02375	0.4
103.03965	0.4
109.02200	0.2
109.02880	2.0
111.00803	0.8
115.03953	0.4
116.98638	0.1
117.03394	0.4
121.02875	0.7
123.04421	0.3
127.03915	11.6
128.04250	0.2
131.04929	0.1
135.04422	0.4
137.02330	1.7
137.05928	0.1
145.02907	1.4
145.04959	3.1
147.04361	0.1
149.02344	0.4
149.05981	0.2
153.01825	2.5
155.04834	0.2
161.05956	0.2
163.03888	1.7
163.06041	0.2
164.04213	0.4
165.01822	1.4
166.02649	0.3
173.05994	0.2
177.05473	3.3
183.02893	0.6
183.04376	0.1
187.03754	0.2
195.02942	0.1
201.05437	1.3
207.44237	0.1
213.12289	0.1
217.04910	0.2
225.06580	0.2
228.04300	0.2
229.04964	3.2
245.04507	0.1
246.05173	0.2
247.06006	0.6
257.04446	2.2
271.07166	0.3
272.07507	0.2
273.03931	0.3
274.04794	0.8
275.05493	0.4
285.03958	1.1
286.04590	0.1
301.03421	0.2
302.04221	0.9
303.04990	100.0
304.05316	2.3
313.03458	0.2
327.05014	0.4
339.04733	0.1
339.10681	0.3
345.06049	1.4
357.06036	0.2
369.05594	0.2
381.50595	0.1
434.09900	0.1
465.10287	15.4
466.10349	0.3
559.04218	0.2
627.20093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1343
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
51.99195	0.1
53.03938	0.3
55.01865	0.2
57.03425	0.3
57.57525	0.1
59.84925	0.1
63.02396	0.1
65.03931	0.4
67.01875	0.1
67.05500	0.1
68.99780	0.7
69.03073	0.2
69.03428	2.4
70.06577	0.3
71.01347	0.3
71.04984	0.2
71.39401	0.2
71.51892	0.1
71.75394	0.1
72.08155	0.1
79.05491	0.5
81.03407	1.0
81.07058	0.1
81.88802	0.1
85.02898	1.4
89.03912	2.2
91.05469	0.3
93.03400	0.3
93.07027	0.2
95.04956	0.4
97.02888	5.4
99.04447	0.3
101.02357	0.3
103.05456	0.3
105.03400	0.1
105.07015	0.2
107.04958	0.8
108.08127	0.2
109.02895	0.7
110.09657	0.1
111.00820	0.8
111.04440	0.1
116.07087	0.1
117.03375	2.9
119.04970	0.1
121.02872	0.9
121.06499	0.1
123.04418	0.4
124.07536	0.2
127.03902	0.7
131.04916	0.3
133.02815	0.1
135.04411	7.7
136.07603	0.1
137.02335	3.4
137.05943	0.2
139.03949	0.1
145.02846	6.0
145.06442	0.2
146.05962	0.1
147.04420	0.1
149.02336	0.4
149.05946	0.2
152.57881	0.1
153.01822	4.2
155.04945	0.2
157.10162	0.1
161.05997	0.3
163.03899	41.4
164.04247	0.4
165.01825	2.2
166.02608	0.3
166.08624	0.2
167.07042	0.9
170.99406	0.1
173.05965	0.5
177.05487	0.3
181.04948	1.2
183.02893	0.8
183.04457	0.3
186.05522	0.2
187.03915	0.4
189.05472	0.1
189.09238	0.1
190.04988	0.3
191.07057	0.4
195.02831	0.2
201.05476	1.9
205.04990	0.3
209.08061	0.3
213.05351	0.1
219.02863	0.2
219.06477	0.3
228.04184	0.2
229.04955	4.5
239.03377	0.2
243.11127	0.1
247.05984	0.8
257.04437	2.9
265.07108	0.2
274.04758	0.9
275.05164	0.3
279.11145	0.1
285.03949	1.3
285.12231	0.3
286.04337	0.2
297.12894	0.1
303.04980	100.0
304.05338	1.1
307.08154	0.9
315.04935	0.1
319.08188	0.1
325.09125	6.8
414.14673	0.1
415.15195	0.2
423.06223	0.2
462.16647	0.2
474.16614	0.8
581.24048	0.2
609.22864	0.2
627.12317	0.1
627.23804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1338
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
53.03949	0.4
57.03412	0.1
58.37499	0.1
63.02358	0.3
68.99773	0.2
69.03432	1.2
70.65797	0.4
71.05001	0.3
73.02906	0.1
74.59413	0.1
79.05500	0.7
81.03415	3.1
81.07051	0.3
82.16510	0.2
85.02907	0.9
89.03912	5.0
95.04953	0.4
96.62048	0.1
97.02869	0.4
99.04415	0.3
107.04942	1.6
109.02885	1.1
111.00823	0.2
117.03376	6.0
121.02870	0.1
127.03918	0.6
135.04413	15.2
137.02306	0.7
145.02841	11.2
153.01828	0.9
155.04971	0.2
158.05925	0.2
163.03897	100.0
164.04219	0.4
165.01846	0.6
181.04930	2.4
183.02946	0.4
186.05479	0.5
201.05484	0.4
210.15033	0.2
229.04971	1.0
247.06168	0.2
257.04401	0.7
274.04718	0.3
285.03955	0.4
303.04980	23.6
304.05374	0.3
307.08105	5.4
325.09180	3.2
452.32025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.05510	21.2
57.03449	3.7
57.07073	3.0
59.88175	1.7
64.45543	1.8
65.03930	4.4
67.05502	99.5
69.03426	2.2
69.07067	22.2
71.04506	3.7
71.04991	20.7
71.08656	1.9
79.05491	64.4
81.03414	3.1
81.07056	100.0
83.04976	6.5
83.08177	2.1
83.08621	8.3
85.06544	20.0
91.05482	41.3
91.05992	1.5
92.26529	2.0
93.07043	87.6
95.04958	8.3
95.08607	57.5
97.02877	3.0
97.06514	11.9
97.10162	8.1
98.21259	2.0
99.08092	20.7
99.38599	2.0
105.07026	28.0
107.08595	42.3
108.61832	1.8
109.06539	4.2
109.10146	21.9
111.08098	4.2
113.06022	2.4
117.07007	5.7
119.08578	17.5
121.10136	72.2
123.11706	6.0
125.09635	6.4
129.07010	3.4
131.08562	12.0
133.10123	17.7
135.08046	3.2
135.11691	58.8
137.05960	5.4
137.09586	2.1
139.11171	4.1
143.08658	2.5
145.10123	11.2
147.11699	12.9
149.09628	3.1
149.13246	17.0
151.11246	4.5
157.10123	3.4
159.11688	10.6
161.13278	6.5
163.03873	3.6
163.11165	4.0
163.14851	3.6
168.06496	4.5
171.11682	5.8
173.11720	2.8
173.13271	6.6
175.14839	5.0
177.12772	7.2
179.14374	2.3
181.12285	5.9
185.13269	5.6
189.11212	2.9
195.13821	8.7
199.14812	3.2
221.15370	4.2
231.21011	2.3
235.17006	4.1
239.26743	2.3
241.19502	6.0
259.20593	16.9
277.21616	72.6
295.22681	29.5
313.23553	2.8
390.44492	2.1
393.16983	2.1
625.46826	53.6
626.46582	2.4
651.87347	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52810	2.3
53.03949	3.1
55.01871	24.3
55.05513	23.6
56.76812	2.5
57.03447	8.6
57.07076	3.7
67.05504	54.2
69.03454	3.1
69.07063	53.9
69.51800	2.3
71.04975	4.2
71.60116	3.2
79.05495	37.3
80.98125	2.4
81.03471	3.3
81.07053	60.7
83.04960	5.2
83.08636	10.8
91.05476	46.0
93.07047	40.4
95.01337	3.9
95.04974	9.5
95.08607	37.8
97.06537	26.8
97.10175	6.3
99.08128	4.9
105.07027	54.3
105.07673	3.8
107.04975	11.3
107.08587	23.4
109.06528	8.8
109.10151	14.1
111.08096	4.3
117.07023	22.9
119.08580	41.7
120.63551	2.4
121.06550	3.9
121.10139	16.3
123.08087	3.0
123.11741	3.9
125.09636	6.9
128.06259	4.6
128.65460	2.6
129.06998	15.6
130.07797	2.5
131.08575	31.8
133.10126	32.5
135.08076	7.9
135.11658	11.2
137.09642	2.9
138.65207	2.4
139.11272	2.3
141.07011	4.6
143.08539	21.2
145.06511	2.9
145.10106	29.8
147.08148	2.8
147.11650	22.7
149.09657	8.7
149.13297	8.2
155.08611	8.0
156.09250	2.9
157.10147	19.5
159.11716	24.3
160.58719	2.6
161.09708	4.9
161.13260	15.2
163.11200	5.6
167.08562	5.1
169.10127	14.5
171.08154	3.3
171.10353	4.6
171.11678	20.5
173.11833	3.8
173.13208	13.4
175.14880	4.3
179.14360	8.6
181.10185	6.7
183.11726	14.3
185.13306	12.9
187.11246	2.7
187.14783	5.7
195.11737	9.1
197.13219	12.1
199.11255	3.5
199.14922	7.2
201.16409	2.4
203.14229	2.7
209.13326	5.7
211.09267	2.5
211.14883	6.7
215.14316	2.8
221.13322	3.4
223.14917	5.7
231.21144	2.8
239.18039	3.2
241.19536	14.6
245.19121	2.4
249.16490	2.5
257.19150	7.0
258.19580	2.8
259.20535	20.6
273.18600	7.8
275.20044	37.5
275.22717	2.9
277.21881	2.6
291.19336	4.0
315.23288	5.3
333.24191	18.2
335.25775	4.8
349.23679	23.2
421.31433	4.1
435.32605	7.3
437.34451	11.1
493.36707	3.9
511.37973	12.3
513.35834	5.3
515.38904	5.7
527.37512	5.3
529.38989	6.7
533.40021	10.8
551.41217	7.0
597.45184	3.2
607.43555	71.2
607.53284	4.1
608.44165	6.6
625.34717	5.1
625.44720	100.0
626.45172	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	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.2
67.05505	3.0
71.59721	1.6
72.36734	1.1
79.05500	2.3
81.07055	3.2
90.00187	1.0
91.05505	3.0
93.07066	2.3
95.08605	2.1
105.07085	1.3
107.08588	1.5
111.75455	1.1
117.07066	1.1
119.08624	1.4
131.08537	1.7
133.10187	1.4
180.38606	1.1
183.82062	1.0
238.76343	1.1
351.54822	1.0
377.17950	1.6
382.54022	1.3
385.65341	1.1
391.19180	2.6
392.20084	1.5
405.20654	9.0
406.21246	2.0
407.22293	5.6
419.22314	4.0
420.23151	2.8
421.23929	7.6
433.24313	1.8
434.24622	2.1
436.19232	2.0
449.19431	1.4
450.20676	1.7
451.21313	18.2
452.22116	3.6
461.23511	1.9
464.22180	2.1
465.22925	14.5
466.23730	2.7
479.24561	2.3
493.26077	12.1
494.26962	1.4
503.24341	9.2
509.21988	3.4
520.24066	1.2
521.25714	5.9
523.23688	7.5
537.25049	4.6
538.25769	13.3
547.23346	2.9
549.97754	1.4
565.24420	9.1
566.25366	2.1
581.27789	6.1
607.26147	5.0
625.26587	100.0
625.44037	3.6
626.26385	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27757	0.5
55.05511	1.5
65.36129	0.5
67.05502	3.5
69.07071	1.8
70.90599	1.2
72.23608	0.5
79.05496	3.0
81.03452	0.5
81.07064	3.5
83.08656	0.8
83.93888	0.5
89.98174	0.5
91.05489	2.6
93.07034	2.9
95.04970	0.7
95.08601	2.5
105.07036	1.5
107.08616	1.3
109.06557	0.8
109.10170	1.3
109.49296	0.5
117.07076	1.2
119.08606	2.0
121.10147	1.5
125.09686	0.5
131.08582	1.4
133.10156	1.6
135.11737	0.7
143.08643	0.7
145.10219	0.8
146.63660	0.5
147.11707	1.2
149.25993	0.6
157.10162	1.3
159.08025	0.6
159.11760	0.7
165.12656	0.6
169.10162	0.6
171.11659	0.7
173.13358	0.7
183.11617	0.6
184.07379	1.1
196.18604	0.5
211.12288	0.7
249.37894	0.6
250.96867	0.5
273.18582	1.5
301.25381	0.7
387.16388	0.5
389.17615	0.9
393.21024	0.7
401.17819	0.9
403.19421	1.5
404.19992	1.5
405.21216	0.8
415.19247	1.1
416.20349	0.6
417.16275	0.7
417.20963	1.8
419.22449	1.6
421.23859	1.6
429.20779	0.7
431.18338	1.6
431.22601	2.0
432.23093	0.9
433.24103	1.8
435.22055	0.6
441.20584	0.6
445.20309	1.4
446.20929	1.7
447.21951	1.9
457.24866	0.6
458.21130	0.9
459.17017	0.8
459.22220	1.7
460.22705	1.3
461.19464	0.9
462.20303	0.8
463.21301	1.5
473.19687	2.0
473.24634	0.8
474.19574	3.3
475.20795	8.6
476.22156	1.8
477.22745	2.4
483.21606	1.9
484.22955	0.9
485.23587	1.1
486.20746	1.6
487.21512	4.8
488.21729	0.8
489.23010	0.9
491.20847	1.5
492.25574	3.1
495.23932	1.1
501.23062	8.8
502.20306	4.4
503.20065	4.9
504.20441	0.8
505.22156	1.9
510.26813	0.7
513.22729	2.1
514.20074	1.0
519.24091	4.2
520.24506	1.8
527.37665	2.3
529.22546	4.8
530.22772	0.7
531.24127	1.5
533.21887	1.0
537.25562	1.5
547.23462	17.3
548.23755	1.9
565.24554	1.0
566.25293	2.0
575.22705	6.1
589.24597	3.0
607.25537	44.7
607.43030	1.9
608.25690	2.0
625.26569	100.0
625.44208	4.9
626.26617	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	625.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.3
60.83759	1.4
61.02913	3.2
61.31150	1.5
63.06757	1.1
67.05498	2.2
69.03419	2.8
70.06584	2.0
70.84090	3.7
71.04994	1.6
73.02907	1.6
81.03404	3.3
83.04970	2.1
85.02890	7.8
85.31130	1.3
91.05469	5.3
93.03384	2.2
93.07043	2.1
95.04958	4.1
97.02907	2.1
103.03912	3.5
103.05414	2.1
104.12851	1.4
105.03357	1.9
107.04961	5.8
109.02876	2.4
111.04436	3.8
116.98595	1.4
117.03367	2.3
119.04955	7.7
121.02877	5.5
123.04437	4.7
127.03926	2.2
131.04936	3.7
133.06516	1.5
135.04430	2.7
137.02332	7.0
137.05954	2.4
145.02832	3.2
147.04420	38.3
149.05978	7.9
151.03902	25.4
151.05083	1.7
153.01877	1.7
161.05992	2.7
163.03934	2.5
163.07555	1.4
165.01941	1.8
173.81075	1.4
175.03929	1.7
177.01904	1.6
177.05467	7.0
179.03474	1.7
181.04947	1.2
181.06535	1.4
189.01820	1.9
189.05525	1.8
191.03368	5.9
195.02849	5.9
200.81844	1.3
201.05484	1.5
203.03387	3.6
205.05020	2.2
207.02873	8.6
209.04489	1.9
213.02164	1.4
215.03304	1.8
216.04103	1.5
217.04985	3.9
219.02939	7.1
219.06535	1.7
221.04442	2.9
225.03812	1.5
229.04889	2.9
233.04465	3.4
241.05032	1.8
255.02911	1.8
257.04361	2.7
261.03787	1.5
267.06598	2.0
269.04526	1.5
270.08453	1.7
271.06323	1.2
273.03723	1.6
278.05734	1.4
281.04538	1.5
284.06857	1.8
285.04080	2.0
287.05505	42.3
294.05273	2.2
295.06009	2.7
295.81717	1.4
296.06766	1.8
297.07419	3.0
298.08310	4.4
308.06863	3.0
309.04074	2.7
309.07492	4.1
310.04724	11.0
310.07996	2.6
311.05722	2.2
311.09009	3.1
312.06409	6.9
313.03494	3.3
313.07047	6.8
314.07965	1.7
322.04666	8.2
322.08203	2.5
323.05521	3.8
323.08945	1.8
324.06293	20.1
325.07077	72.2
326.07852	7.0
327.08679	4.9
334.04648	2.1
334.08371	3.3
336.06326	10.1
337.07074	42.7
337.11136	2.8
338.07843	12.7
339.05093	2.0
339.08688	11.9
340.05884	6.9
343.08121	4.2
348.06116	3.0
349.06903	4.0
350.07956	6.3
351.04828	1.8
351.08646	18.0
352.06027	6.8
352.09061	7.1
353.06433	3.8
353.10355	2.6
355.08148	93.7
356.08713	2.3
361.07086	3.2
362.07675	4.5
363.08563	6.2
365.06332	2.7
365.10202	12.6
366.07333	5.9
367.08130	51.6
367.12701	3.1
369.09479	2.1
375.08475	1.9
376.09528	2.3
377.10330	7.3
379.08157	30.3
380.08832	2.7
381.09708	20.1
385.09174	22.5
387.08698	2.9
390.07196	1.7
391.03561	2.4
391.08102	18.8
393.09937	6.1
395.11435	12.4
397.09109	3.6
403.08038	6.2
405.09573	10.5
406.06522	2.1
407.07251	1.8
409.09189	53.4
415.08026	4.2
419.11621	2.2
421.09164	24.5
431.11279	2.2
433.09103	23.1
433.14304	1.7
435.10513	1.7
439.10272	40.8
440.10477	2.1
445.09454	4.0
447.10760	1.9
451.10178	21.1
457.11346	34.7
463.10410	3.0
469.11304	31.7
475.12634	7.2
487.12375	100.0
488.12381	4.1
493.11209	4.5
505.13419	23.6
511.12482	24.1
517.11053	2.6
523.12323	3.4
529.13513	22.6
535.12054	5.8
541.13385	26.0
553.13507	23.5
559.14526	11.2
571.14539	30.6
589.06018	1.5
589.15491	32.0
607.16638	19.3
625.17731	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1757
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
55.01846	0.3
57.03440	1.4
58.53201	0.3
59.17842	0.2
61.02916	0.6
69.03431	1.2
71.04501	0.5
71.04990	10.8
73.02892	0.5
75.04460	0.6
81.03402	0.5
83.04973	0.4
85.02901	14.7
87.04452	0.6
92.02600	0.3
93.03380	0.4
97.02888	1.2
99.04437	0.3
121.02885	0.6
123.62241	0.3
127.03898	0.8
129.05473	3.2
139.03851	0.5
145.04947	1.0
147.06506	1.2
151.03943	0.4
153.01834	4.2
165.01855	0.5
177.05441	0.5
185.93028	0.2
201.05478	0.3
218.05820	0.4
228.04195	0.6
229.04988	2.0
245.04565	0.4
246.05243	0.8
257.04434	1.8
273.03909	1.1
274.04657	3.4
274.27493	0.3
285.03894	3.2
302.00748	0.5
302.04199	8.6
303.04550	0.4
317.06543	100.0
318.06976	2.9
359.07504	0.5
479.11612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1402
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
53.03929	0.3
54.37604	0.1
55.01849	0.3
56.96537	0.1
57.03444	0.6
57.13394	0.1
61.02927	0.9
68.99464	0.1
68.99780	0.4
69.03431	2.4
70.70459	0.2
71.04998	0.3
71.05317	0.1
73.02911	0.4
79.05459	0.1
80.59162	0.1
81.02980	0.1
81.03419	1.2
83.01334	0.1
85.02906	6.9
86.09684	0.1
87.04442	0.3
91.03983	0.4
91.05440	0.2
95.04942	0.2
97.02895	2.5
99.04458	0.4
105.03365	0.2
107.04923	0.2
109.02882	0.8
111.00163	0.1
111.00818	0.8
111.04423	0.1
119.04910	0.3
121.02866	2.2
127.03913	1.4
133.02844	0.4
135.04420	0.1
137.02353	0.7
145.04929	0.9
145.06441	0.1
147.04410	1.5
148.04720	0.1
153.01831	2.9
157.06459	0.4
161.01204	0.1
161.05942	0.1
165.01822	1.8
171.04402	0.2
175.07401	0.1
177.05487	0.2
183.02945	0.6
185.05978	0.4
189.05418	0.2
197.06024	0.1
203.03517	0.1
213.05470	1.2
229.04938	0.1
231.06496	0.7
241.04973	1.0
243.06544	0.1
258.05261	1.0
259.06049	0.5
269.04395	0.3
287.05499	100.0
288.05786	1.5
299.05670	0.1
329.06543	0.1
463.08728	20.3
464.08884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.155
Annotation	CHEMBL233903
Peak:m/z	Relative Intensity
51.02373	0.2
53.03942	0.7
55.01870	0.4
55.05522	0.4
57.03418	0.5
65.03935	1.0
67.05504	0.6
69.03079	0.3
69.03427	4.3
69.07042	0.5
69.49101	1.5
69.49513	0.5
70.06576	0.8
71.01354	0.3
71.04997	0.7
77.03926	0.7
78.04686	0.3
79.05492	0.5
81.03417	4.5
81.07046	0.7
83.82073	0.2
85.02903	3.5
86.40627	0.2
89.03927	1.4
90.58108	0.2
91.05477	8.3
93.07040	0.7
93.40253	0.2
95.04977	0.8
95.08605	0.7
97.02894	6.0
99.04461	0.7
101.02331	0.4
103.05459	0.2
105.03385	1.0
105.07041	0.4
107.04935	0.9
107.08595	0.7
109.02879	1.4
109.10159	0.7
117.03386	2.3
117.06987	0.4
117.39899	0.2
119.04939	22.4
119.08562	0.4
120.08063	0.3
121.02874	0.4
121.10159	0.5
123.04447	0.7
127.03919	1.9
129.70441	0.3
131.04910	0.3
133.02838	3.7
133.10114	0.4
134.03661	1.1
135.04419	3.1
135.11722	0.4
137.02332	0.7
137.05943	0.4
143.04916	0.2
145.02849	4.3
145.04927	1.1
147.04404	100.0
148.04790	0.2
149.05975	0.7
149.09598	0.3
151.03975	0.3
153.01814	4.6
162.03108	0.4
163.03899	25.3
164.04239	0.5
165.05461	3.5
167.07056	1.1
167.10619	0.3
175.07545	0.3
177.04041	0.4
177.05479	5.4
179.03421	0.5
181.04936	2.0
183.40341	0.2
189.05600	0.3
191.03413	3.2
191.06950	0.4
201.05577	0.2
205.08646	0.4
217.05164	0.3
227.03465	0.4
229.04994	0.7
245.04474	0.9
255.03024	0.5
256.03418	0.2
257.04602	0.7
260.03159	0.3
273.03934	12.9
274.04730	1.2
277.07028	0.4
285.03931	1.4
287.05490	0.9
291.08609	4.9
291.11655	0.4
301.03387	3.8
301.06805	0.4
302.04166	4.2
303.04959	3.4
305.06665	0.4
305.24707	0.4
307.08075	0.9
309.09735	2.8
317.06558	18.0
321.09723	0.4
323.07693	0.3
325.09052	1.3
339.10913	0.2
385.13028	0.3
407.83990	0.3
416.14706	1.4
463.06433	1.0
570.05975	0.3
607.10718	0.8
625.12177	3.9
625.27570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
58.49854	0.3
65.03923	0.3
67.05485	0.3
69.03428	0.8
70.06586	1.0
71.04987	0.3
71.59170	0.2
72.22270	0.3
74.20941	0.2
78.47969	0.2
81.03416	3.5
85.02914	0.7
86.09700	0.5
91.05463	0.3
93.03398	0.4
95.04974	0.5
97.02898	0.6
104.63368	0.3
109.02888	0.8
121.02869	0.7
121.10133	0.3
123.04436	0.3
123.08084	0.4
124.74007	0.3
127.03944	1.1
135.04463	0.4
135.11665	0.3
137.02351	13.7
137.03421	1.2
145.02908	0.3
146.35680	0.3
147.04422	1.7
149.02367	0.3
159.04398	0.3
161.02357	0.6
161.06001	1.3
163.03906	2.3
171.04416	0.3
175.03914	0.8
177.05490	0.5
187.03893	0.9
189.01909	0.3
191.03502	0.4
199.03896	0.6
203.03410	12.9
207.02881	2.9
215.03407	4.2
219.03014	0.6
223.47226	0.3
225.01881	1.7
227.03387	1.5
230.02168	0.4
235.07730	0.6
239.03439	0.9
241.01299	0.5
243.02895	8.1
244.03386	0.3
261.03949	0.5
263.07007	1.6
271.02426	1.1
273.05493	1.1
287.05426	2.3
289.03452	4.0
291.06488	3.1
301.04779	1.4
303.05301	0.3
309.07556	1.0
313.03757	0.4
315.06494	0.7
319.06027	2.9
329.04465	0.3
333.07559	0.3
337.06964	0.8
347.05618	2.3
361.06952	0.5
363.08615	0.6
365.06543	3.0
375.05063	1.7
376.05826	0.5
389.06509	2.9
392.05466	0.5
393.06061	31.8
394.06412	0.7
403.04465	1.1
417.05466	0.4
419.07639	8.5
421.05557	100.0
422.05893	2.1
445.05582	6.7
463.06625	32.9
464.07098	0.6
481.07629	3.5
523.08478	0.3
607.10773	2.9
625.11841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3746
Annotation	Apicidin
Peak:m/z	Relative Intensity
53.03937	0.6
55.01882	0.4
55.05513	2.6
57.03429	0.6
57.07075	0.5
58.06602	0.9
59.07373	0.6
60.08168	5.0
61.02919	0.4
62.50558	0.2
65.03950	0.7
67.05509	5.1
69.03430	2.7
69.07076	2.6
70.00188	0.2
70.06604	0.4
70.08920	1.4
71.04996	0.3
73.02909	0.3
79.05495	4.2
81.03414	0.9
81.07062	7.3
83.04977	0.7
83.08615	1.6
85.02897	3.4
91.05485	5.1
93.07050	11.0
95.04966	1.3
95.08611	15.2
96.08946	0.3
97.02893	1.9
97.06550	0.7
97.10185	0.8
99.04460	0.3
102.09183	4.2
103.03946	3.8
103.05432	0.4
105.07035	6.7
107.04967	1.1
107.08601	10.8
107.33109	0.3
109.02889	0.6
109.06535	1.4
109.10162	6.1
111.04446	1.9
111.08144	0.3
115.05510	0.5
115.13342	0.2
117.07062	1.2
119.04964	0.7
119.08590	6.1
121.06490	0.7
121.10147	14.2
122.10580	0.4
123.04438	0.5
123.08084	0.8
123.11720	3.0
125.06025	1.5
127.03928	1.6
129.07036	0.8
131.08553	2.0
133.06488	0.4
133.10147	5.6
133.11086	0.5
135.04402	0.3
135.08084	0.5
135.11707	5.0
137.05940	1.6
137.13258	0.5
139.07536	0.4
139.11176	0.3
142.07767	0.4
143.08545	1.6
145.06485	0.4
145.10133	2.4
146.88986	0.3
147.04453	1.6
147.08051	0.4
147.11700	3.3
148.04834	0.4
149.09621	0.5
149.13271	1.4
151.07544	0.7
151.11198	0.4
155.12000	0.3
157.10161	1.8
159.08084	0.4
159.11687	2.9
161.09669	1.0
161.13274	2.2
162.11267	4.1
163.03984	0.5
163.07466	0.6
163.14848	0.7
165.05594	0.3
165.09131	0.7
167.10716	0.4
169.10175	0.5
171.11726	1.2
173.09653	0.7
173.13240	1.7
175.11174	0.5
175.14911	0.8
177.05597	0.4
177.09085	0.3
177.16542	0.3
179.10695	0.9
181.04988	0.9
185.09695	0.7
185.13197	1.6
187.11192	2.9
187.14911	1.1
189.09041	0.3
189.12810	0.3
199.11211	0.8
199.14900	0.9
201.12677	1.5
201.16425	0.6
203.17958	1.4
205.12308	1.1
213.12747	1.6
213.16315	0.4
215.14423	0.4
217.12234	0.6
219.13768	1.2
227.14360	0.6
231.13777	1.5
241.15886	0.3
241.19505	0.6
245.15353	0.8
255.21098	0.4
283.20679	0.4
287.23859	0.4
301.21686	1.8
305.24783	1.0
323.25784	0.7
416.14853	0.7
517.14923	0.3
603.84479	0.3
624.37439	100.0
625.37726	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	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63539	0.3
55.05491	0.3
67.05519	0.5
67.34138	0.3
69.82136	0.7
69.82555	1.2
81.07109	0.3
93.07072	0.3
98.75095	0.3
220.78345	0.3
375.16074	0.5
388.17270	0.4
389.17682	0.9
390.17981	0.4
391.19287	1.0
401.17999	0.7
402.18671	0.6
403.19357	1.1
404.19870	1.0
405.21146	1.6
406.21591	0.6
407.22415	0.9
415.19247	1.2
416.20428	0.6
417.16446	0.6
417.20941	1.3
418.17639	0.4
419.17523	0.5
419.22928	2.8
420.23178	1.0
429.21014	0.9
430.18097	1.0
430.22687	0.4
431.17847	2.6
432.18655	0.5
432.23679	0.7
433.20148	5.1
434.20847	0.7
435.22137	0.8
443.18179	1.7
444.19482	1.3
445.19943	3.7
446.21161	2.4
447.22067	3.5
448.22934	1.5
457.20242	0.7
458.20850	5.0
459.21793	4.9
460.22720	4.2
461.23975	0.7
463.21399	1.4
471.21875	0.7
472.22983	0.6
473.23349	0.9
475.21326	2.1
476.21921	1.5
477.22910	1.7
485.23492	0.9
487.24683	1.2
489.23569	0.4
491.24811	0.7
503.24866	0.8
504.25339	0.7
505.22723	0.7
506.23602	0.4
516.21722	0.5
517.22791	1.0
518.22992	4.0
519.24457	0.4
521.21704	1.5
530.23956	0.6
531.24005	0.7
533.25598	7.6
534.25549	0.6
535.27911	1.8
536.24274	0.4
545.25452	4.1
546.26129	1.1
563.26563	5.1
573.24994	1.2
577.28094	0.8
590.24994	0.7
591.26068	0.5
605.27588	12.7
606.28644	0.7
623.28656	100.0
624.29010	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
56.96561	1.2
66.80551	0.4
67.05493	2.3
69.07041	0.6
71.60405	0.7
79.05487	1.0
81.07046	1.8
91.05495	1.6
93.07051	1.3
95.08599	2.9
97.10168	0.6
105.07043	1.5
106.31033	0.5
107.08601	1.3
109.10155	1.1
117.06929	0.5
119.08582	1.6
121.10194	1.0
131.08588	0.8
133.10158	0.7
141.37286	0.7
145.10109	0.7
147.11674	1.1
157.10132	0.8
159.11732	0.9
177.04376	2.5
195.05434	3.1
205.31807	0.6
237.10010	0.5
240.89813	0.5
289.17999	1.0
301.21609	1.7
332.96701	0.6
337.67865	0.6
375.16040	0.6
377.18076	0.7
389.17661	0.9
390.18469	1.4
391.19415	1.1
403.19345	1.4
404.16003	0.9
405.21063	1.8
406.21841	1.1
407.22391	1.3
417.16748	0.8
419.18195	1.6
419.22504	2.3
421.24173	2.1
429.17029	1.2
431.18243	1.0
431.23190	0.9
432.19333	1.5
433.20224	3.6
435.21747	1.5
441.23309	0.7
445.20331	2.0
446.21091	1.7
447.22668	4.1
448.22861	2.1
449.23535	4.5
458.21066	1.5
459.22351	1.8
461.19724	1.8
462.19995	0.7
463.21671	1.6
474.20883	0.7
475.21310	1.8
476.21964	3.2
477.22940	3.5
489.22781	1.8
503.24707	0.6
521.21851	0.7
533.25714	3.6
535.27466	3.8
543.29681	1.2
545.25909	0.7
561.31335	1.1
563.26617	15.6
584.33374	0.8
591.26007	1.2
595.29065	0.9
605.27551	2.7
606.28497	0.7
623.28668	100.0
624.29181	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07709	0.4
53.03913	0.5
54.36452	0.4
55.01873	1.0
55.05505	2.3
65.03939	0.4
67.05510	2.8
69.07053	1.0
72.49858	0.4
79.05476	2.1
81.03435	1.3
81.07063	3.3
83.08636	0.7
91.05480	2.8
93.07049	1.5
95.04964	0.6
95.08607	1.9
97.10158	1.1
98.21514	0.9
105.07041	1.9
107.04957	0.5
107.08572	1.2
109.10149	0.9
117.07081	0.6
119.07832	0.6
119.08601	1.9
121.10164	0.9
129.07059	1.0
131.08583	1.0
133.10179	0.7
141.06880	0.4
145.06334	0.5
145.10146	0.8
147.11655	0.7
157.10126	1.1
159.11751	0.9
161.13316	0.5
171.11673	0.7
173.13350	0.5
183.11647	0.7
189.11305	0.5
197.13269	0.6
199.11346	0.6
203.96199	0.4
229.74535	0.6
243.59148	0.5
256.16403	0.4
275.20096	1.2
287.19858	0.5
289.17877	0.5
307.62589	0.5
332.41980	0.4
389.17944	1.1
401.17554	0.7
402.18231	0.7
403.19278	1.1
405.20886	1.5
415.19492	0.8
416.20187	0.9
417.16940	2.0
417.21075	1.7
419.22531	4.6
431.18802	2.8
432.19595	1.3
433.20450	1.7
435.21899	0.6
443.18683	3.3
444.19638	1.1
445.20160	9.0
446.21082	4.3
447.22076	4.1
449.23633	0.9
457.19995	0.8
458.21414	0.5
459.21967	3.0
461.19269	0.5
462.20728	1.5
463.21472	2.0
471.22400	0.5
475.21439	1.4
476.21939	4.5
477.22855	5.9
489.22842	1.7
490.23941	0.5
491.20432	0.9
505.22086	0.6
518.23145	0.6
521.22186	1.8
525.35858	1.1
533.25433	13.2
535.26422	0.7
545.25476	1.0
563.26575	17.8
564.27161	0.9
593.27606	4.2
605.27551	1.2
605.41968	0.9
623.28656	100.0
623.42987	5.3
624.29126	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	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03763	0.7
62.62730	0.8
70.16142	3.3
80.89445	0.8
140.84808	0.7
209.10803	0.9
223.12370	1.5
224.13060	1.0
251.15558	1.1
375.17010	1.0
376.17062	1.6
378.18329	1.5
389.18298	1.3
390.18347	1.4
391.19128	4.4
392.19995	2.5
393.20905	1.7
399.16168	1.5
400.16901	1.6
401.17786	2.4
402.19241	0.9
403.19891	2.0
404.20432	1.1
405.20767	5.7
406.21408	5.7
407.22299	16.8
413.18015	2.3
414.18610	3.0
415.19299	7.2
416.19681	0.9
417.21393	1.2
418.22400	0.8
419.18289	1.4
419.23056	1.3
420.22971	2.2
421.23907	15.7
422.24628	2.8
427.19357	2.5
428.19980	2.7
429.15765	1.1
429.20911	16.3
430.21884	4.2
431.22729	1.2
433.19623	2.4
433.24228	2.9
435.26239	1.2
441.21436	1.1
442.21674	1.7
443.22427	10.3
444.23523	6.7
445.20160	2.5
447.17407	1.6
447.26010	1.3
448.18594	1.1
449.22870	1.8
456.19324	2.1
457.19025	1.1
457.23950	4.5
458.25015	7.4
459.21634	9.8
460.22379	2.8
461.18988	7.5
462.20578	2.1
463.21201	1.3
470.21451	1.3
471.21988	2.4
472.22592	8.6
473.23511	2.5
474.20493	1.2
475.20975	7.2
476.21793	8.4
477.22733	4.0
485.23566	16.9
486.20395	2.9
486.24246	4.2
487.21393	2.2
488.22153	2.6
489.22928	4.5
490.24484	1.1
493.26065	1.0
499.21149	5.8
500.22018	2.1
502.23639	1.8
503.24341	9.3
504.25269	1.0
507.24292	1.2
513.22888	3.3
514.23395	1.2
515.24695	1.1
517.26337	9.9
529.25916	1.3
531.23865	1.4
535.27087	8.2
545.25446	94.5
546.25720	3.3
562.27057	0.9
563.25909	1.5
564.27515	2.2
573.24921	23.4
574.25226	1.1
591.26013	1.9
605.27563	83.0
606.27893	3.4
623.28607	100.0
624.28845	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38071	0.4
61.91475	0.4
66.79832	0.4
67.33097	0.5
71.29613	0.9
71.29977	0.9
71.50735	0.5
93.00495	0.5
97.50844	0.4
133.44844	0.5
137.49994	0.5
153.51595	0.5
179.99411	0.5
211.71884	0.6
226.21428	0.5
241.55545	0.5
289.17621	0.5
329.60519	0.5
389.18951	0.8
391.18814	0.6
403.19427	0.6
404.20956	1.1
405.20624	2.6
406.21671	1.2
413.17743	0.6
414.18582	1.1
415.19202	2.5
416.20108	0.9
417.21005	0.7
419.22836	0.6
420.23068	1.5
421.23920	1.7
427.19373	1.2
429.20728	3.7
430.21967	1.9
431.18332	0.9
433.20203	1.8
433.25061	0.8
442.21835	0.6
443.22507	1.2
444.23178	2.0
445.20517	1.6
446.21292	0.7
447.18304	1.9
448.22943	0.6
457.24066	2.7
458.24890	0.8
459.21631	4.2
460.22610	4.1
461.19507	11.1
462.20303	0.7
470.21512	0.8
472.22617	1.8
474.24088	0.6
475.21515	2.7
476.21899	11.7
477.26981	1.4
485.23459	17.2
486.19998	3.7
487.25839	1.0
488.22192	2.2
489.22943	2.6
492.25311	0.9
497.23550	1.0
499.21564	0.9
500.21872	2.3
503.24417	12.1
505.22403	1.3
513.22992	1.5
515.24396	13.2
521.25507	11.4
522.26172	0.7
531.23920	21.9
532.24231	0.7
535.23633	1.9
541.22467	1.3
545.25610	1.2
549.25024	20.5
550.25488	1.1
559.23419	9.2
563.26660	1.0
564.26941	1.9
591.26019	37.8
592.26593	1.5
623.28638	100.0
624.28833	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29388	0.5
69.19673	0.6
70.88929	1.7
73.89423	0.6
74.07252	0.6
114.00343	0.6
135.25237	0.7
139.30295	0.5
150.90057	0.5
256.12381	0.6
339.16434	0.6
389.18463	1.0
391.19431	0.8
399.15970	0.6
401.18073	0.6
403.19363	1.2
404.16385	0.8
404.21378	0.8
405.20889	2.6
406.21524	0.7
413.17899	1.1
414.18210	0.8
415.19302	2.2
419.18069	1.3
419.23080	0.7
420.23117	1.6
421.24042	2.0
427.19498	0.8
429.21042	3.0
430.21732	1.6
433.19620	2.8
434.20404	0.9
441.20966	0.8
442.21631	0.8
443.22543	1.3
444.23505	1.2
445.20352	2.2
446.21112	0.7
447.17307	3.0
448.22504	2.9
457.24005	1.8
459.22049	2.3
460.22906	3.0
461.19516	9.3
462.19983	1.3
472.22577	1.2
473.19424	0.8
475.21548	2.4
476.21835	13.4
477.26797	0.9
485.23511	10.8
486.21106	2.4
487.25473	1.2
488.22116	2.0
489.22876	2.5
497.23898	0.9
500.22305	2.0
503.24524	8.7
513.23145	2.0
515.24402	7.7
521.25665	7.6
531.23944	16.7
535.23444	1.2
536.24091	1.9
545.25629	1.7
549.25024	13.5
559.23602	6.6
563.26349	2.2
564.26636	2.2
591.26111	36.4
592.26355	1.5
623.28601	100.0
624.28699	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.8
57.03411	0.6
67.05499	5.0
69.07059	1.8
70.85342	0.5
70.85670	1.1
71.04979	0.5
79.05499	4.4
81.03413	1.4
81.07063	5.3
83.04978	0.6
83.08613	1.8
91.05486	3.6
93.07027	3.9
95.04948	1.1
95.08612	3.7
97.10173	2.8
98.20783	0.5
103.05480	0.6
105.07022	3.1
107.04921	0.8
107.08596	3.4
108.08093	0.7
109.06529	0.6
109.10148	2.5
111.08099	0.5
117.07043	1.7
119.08566	2.5
121.06506	0.7
121.10139	1.7
123.08089	0.6
125.09660	1.6
129.07008	1.7
131.08578	1.9
133.10133	1.9
135.11662	0.7
141.07065	0.6
143.08574	1.7
145.10104	2.7
147.11684	1.1
149.13205	0.5
150.78346	0.6
153.74684	0.5
155.08542	1.1
157.10149	1.6
158.09630	0.5
159.11705	1.6
161.13246	0.7
167.08528	0.7
169.10143	1.6
171.11710	1.8
173.13281	1.2
181.10091	0.7
183.11737	1.1
185.13263	0.9
189.11191	0.6
189.16376	0.7
193.10272	0.5
195.11679	0.8
197.13257	0.9
199.14789	0.5
201.16405	0.8
209.10789	0.9
209.13354	1.2
211.14949	0.5
221.10832	0.6
227.12794	0.9
272.25867	0.5
291.19632	1.5
363.16275	1.1
374.16406	0.9
375.16339	0.8
376.17062	1.0
377.17810	3.2
378.18265	1.0
385.15045	0.6
387.16193	1.0
388.17853	0.6
389.17703	1.1
390.18951	0.7
391.19312	3.3
392.20056	2.9
393.20706	2.8
399.16211	1.6
400.16754	2.3
401.17627	3.8
402.18384	1.5
403.19351	1.5
405.16507	1.0
405.21478	2.6
406.21805	0.6
407.22299	3.8
413.17734	3.2
414.18488	2.7
415.19415	5.5
416.20258	2.1
417.16486	1.0
417.21243	1.3
419.18457	2.8
419.23105	1.1
420.19272	0.7
421.20215	2.9
425.17755	1.1
427.19241	1.7
428.20605	2.7
429.21606	3.0
430.21246	1.8
431.18625	1.9
433.15576	1.0
433.20413	2.0
434.16605	0.7
435.21582	2.4
441.17035	1.4
443.17978	2.0
443.22449	3.6
444.19278	3.4
445.19830	2.5
446.21075	1.5
447.18176	3.1
447.22672	1.5
448.18585	2.3
449.19296	1.1
456.20032	1.3
457.20303	2.0
458.21597	2.6
459.18304	2.2
460.18735	0.8
461.19119	2.7
462.19861	2.5
463.21365	2.1
465.22891	0.8
468.19781	0.7
470.16901	0.9
471.22491	7.1
472.18143	0.9
472.22867	1.6
473.18988	5.2
474.20541	2.8
475.22336	3.6
476.18680	1.6
477.19098	0.8
480.25021	0.8
483.22141	0.8
484.18661	0.8
485.19736	2.5
486.20471	4.0
487.21249	1.5
489.23740	6.5
490.20276	4.9
491.20297	3.4
492.21356	0.9
493.22534	1.2
499.21295	18.2
500.21823	2.1
501.23401	6.5
502.20468	1.6
503.20743	6.7
504.21320	0.6
507.23886	2.2
508.25351	0.7
511.20807	0.8
513.19348	2.1
514.19922	1.5
516.21484	1.7
517.22351	11.6
518.22156	1.8
525.35919	1.5
527.20819	2.6
529.22369	11.6
530.21777	0.6
531.20374	1.0
535.23743	3.8
536.24225	1.0
545.21808	45.2
546.22101	3.6
554.35742	0.7
555.20239	2.5
563.22491	2.6
564.23566	1.7
573.21313	12.4
574.22101	1.0
591.22382	1.2
595.25116	0.9
605.23907	89.0
605.41473	2.1
606.24188	6.9
623.24994	100.0
623.41577	11.6
624.25208	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	623.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.3
60.08126	1.3
67.05505	5.1
69.07056	2.9
71.47324	2.1
79.05498	3.9
80.96389	1.5
81.07036	6.2
82.76418	1.2
83.04957	1.5
86.09722	2.1
91.05473	5.5
93.07043	3.7
95.08608	4.0
98.98515	1.6
105.07019	2.6
107.08620	2.4
109.10139	1.5
117.07019	2.6
119.08614	2.8
121.10104	2.0
131.08609	1.8
133.10162	1.9
145.10201	2.6
147.11768	1.3
184.07339	7.0
223.28204	1.3
275.20062	2.3
348.25220	1.2
391.19501	1.8
401.17529	2.0
405.21301	2.8
407.22421	3.7
413.17935	2.0
415.19247	2.0
416.20206	1.9
419.23016	1.6
429.21109	2.5
435.21698	1.9
444.19531	2.7
447.17767	2.2
448.18961	1.5
461.19666	3.7
462.20123	1.8
471.21991	4.1
473.19550	3.1
474.20297	2.8
486.20358	2.8
489.18686	1.3
489.22928	4.1
490.19983	2.8
491.20688	2.5
499.21350	11.0
501.23010	4.3
503.20743	4.9
513.19031	2.4
517.22363	11.7
527.20911	2.1
529.22308	7.8
535.23364	2.4
545.21826	19.3
564.23370	2.3
573.21198	5.0
577.24591	4.0
591.22150	2.4
605.23883	34.5
605.41138	1.9
623.24988	100.0
623.40997	10.2
624.25165	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	621.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01866	10.0
55.05512	29.2
57.03427	4.7
57.07069	4.5
65.03935	4.0
67.05499	94.4
69.07063	34.6
71.04978	10.1
71.59915	5.3
77.22472	3.7
79.05490	69.0
79.05951	5.2
81.03405	4.6
81.07052	100.0
83.04980	6.0
83.08603	15.5
84.91919	3.6
84.95138	3.8
84.99722	3.7
85.06549	21.9
91.05476	66.0
93.07043	79.6
95.04956	8.4
95.08601	66.3
97.06528	8.3
97.10163	12.4
99.08060	7.0
105.07014	41.3
107.05023	3.5
107.08604	62.3
109.06532	6.0
109.10152	32.7
111.04456	4.4
111.08066	10.9
115.23653	4.3
117.07029	14.7
119.08571	33.5
121.10129	69.0
121.10920	5.9
123.04389	4.7
123.11695	8.2
125.09653	10.1
129.07007	12.1
131.08588	33.1
133.10147	33.9
135.07996	4.0
135.11679	48.2
137.09622	6.1
139.11159	13.4
143.08510	10.8
145.10094	22.4
147.07890	4.4
147.11671	28.2
149.09628	8.1
149.13263	11.2
153.02611	3.8
155.08649	3.9
157.10135	12.5
159.11670	16.3
161.09692	5.0
161.13251	13.4
163.11110	7.2
171.11678	12.1
173.11803	6.5
173.13248	9.7
175.14821	5.9
177.12830	4.8
181.12271	6.4
183.11771	5.6
185.13237	10.8
195.13797	4.6
203.12756	10.0
217.14301	6.6
241.19557	14.7
257.19040	8.5
259.20563	53.2
275.19968	7.3
277.21628	46.6
291.23260	6.6
293.21118	6.3
295.22638	10.7
327.25439	5.2
333.24979	5.5
334.25162	5.9
419.21539	4.4
447.21545	4.8
474.20084	6.0
475.21204	10.5
511.44217	4.6
533.25293	15.9
535.41052	7.4
545.49579	4.6
553.42474	14.9
561.24609	34.1
567.44391	8.2
580.26648	7.3
585.44806	13.4
598.27924	6.9
621.26892	28.7
621.40497	5.9
622.26849	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	621.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01866	10.0
55.05512	29.2
57.03427	4.7
57.07069	4.5
65.03935	4.0
67.05499	94.4
69.07063	34.6
71.04978	10.1
71.59915	5.3
77.22472	3.7
79.05490	69.0
79.05951	5.2
81.03405	4.6
81.07052	100.0
83.04980	6.0
83.08603	15.5
84.91919	3.6
84.95138	3.8
84.99722	3.7
85.06549	21.9
91.05476	66.0
93.07043	79.6
95.04956	8.4
95.08601	66.3
97.06528	8.3
97.10163	12.4
99.08060	7.0
105.07014	41.3
107.05023	3.5
107.08604	62.3
109.06532	6.0
109.10152	32.7
111.04456	4.4
111.08066	10.9
115.23653	4.3
117.07029	14.7
119.08571	33.5
121.10129	69.0
121.10920	5.9
123.04389	4.7
123.11695	8.2
125.09653	10.1
129.07007	12.1
131.08588	33.1
133.10147	33.9
135.07996	4.0
135.11679	48.2
137.09622	6.1
139.11159	13.4
143.08510	10.8
145.10094	22.4
147.07890	4.4
147.11671	28.2
149.09628	8.1
149.13263	11.2
153.02611	3.8
155.08649	3.9
157.10135	12.5
159.11670	16.3
161.09692	5.0
161.13251	13.4
163.11110	7.2
171.11678	12.1
173.11803	6.5
173.13248	9.7
175.14821	5.9
177.12830	4.8
181.12271	6.4
183.11771	5.6
185.13237	10.8
195.13797	4.6
203.12756	10.0
217.14301	6.6
241.19557	14.7
257.19040	8.5
259.20563	53.2
275.19968	7.3
277.21628	46.6
291.23260	6.6
293.21118	6.3
295.22638	10.7
327.25439	5.2
333.24979	5.5
334.25162	5.9
419.21539	4.4
447.21545	4.8
474.20084	6.0
475.21204	10.5
511.44217	4.6
533.25293	15.9
535.41052	7.4
545.49579	4.6
553.42474	14.9
561.24609	34.1
567.44391	8.2
580.26648	7.3
585.44806	13.4
598.27924	6.9
621.26892	28.7
621.40497	5.9
622.26849	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	621.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01870	1.4
55.05508	2.5
57.03437	1.0
65.03949	0.9
67.05505	5.8
69.03426	4.1
69.07058	2.3
69.53635	0.7
70.20292	1.8
70.20702	1.6
71.04980	1.7
73.02885	0.9
77.73692	0.7
79.05493	4.0
81.03042	0.8
81.03429	8.2
81.07046	5.6
83.04980	2.6
83.08615	1.3
85.02900	3.3
91.05483	6.3
91.19991	0.8
93.07044	7.7
95.04969	3.6
95.08609	5.9
97.02905	6.2
97.06509	1.5
99.04434	1.6
99.08089	1.2
105.07037	10.7
107.04965	2.9
107.08596	8.6
109.02882	7.8
109.06512	3.2
109.10155	8.9
111.04449	8.6
111.08100	0.8
117.06999	2.3
119.04955	0.9
119.08582	14.4
121.06519	1.9
121.10133	4.1
123.04419	2.1
123.08064	2.6
123.11716	1.3
125.09600	1.3
127.03918	100.0
128.04243	1.7
129.06993	1.7
131.04898	0.8
131.08565	3.3
133.06517	4.9
133.10109	9.1
135.08052	5.0
135.11737	1.2
137.05948	1.7
137.09625	1.3
141.06956	0.9
143.08574	3.1
145.04945	1.5
145.06531	0.7
145.10075	4.6
147.04407	1.1
147.08054	6.1
147.11690	2.2
149.05991	0.9
149.09663	2.5
157.10173	2.3
159.08015	1.5
159.11710	3.0
161.05957	1.2
161.09639	5.0
163.03865	0.8
163.11201	3.4
165.09093	6.0
171.08023	1.0
171.11789	2.0
173.09561	1.4
173.13316	1.4
175.11198	1.2
175.14799	0.7
177.05388	1.2
179.10689	2.9
181.10123	2.1
183.11768	0.8
185.09634	3.1
185.13252	1.4
189.09212	3.9
191.10680	0.9
193.08597	0.7
193.12267	1.3
199.11197	7.7
199.14908	1.0
203.10715	0.9
207.10173	4.5
210.49715	0.8
211.13202	1.4
215.10703	1.0
217.12230	3.3
225.11217	14.3
235.13228	1.4
241.19618	0.8
267.20804	0.9
279.17258	1.0
287.20261	1.0
297.18430	3.0
315.19507	6.3
333.13422	1.0
357.20529	2.4
372.14941	0.9
423.21954	1.0
441.22754	2.6
553.36078	0.8
585.30206	1.1
603.31421	1.1
621.22821	3.5
621.32611	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	621.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01864	1.6
55.05505	3.9
57.03431	1.2
57.07062	0.7
64.43898	0.7
67.05502	5.5
69.03435	4.6
69.07065	2.9
69.45808	5.6
71.01337	0.6
71.05002	2.9
73.02910	0.7
79.05502	6.4
81.03419	12.8
81.07063	7.7
83.04984	3.9
83.08614	1.6
85.02917	4.5
85.06558	1.2
91.05481	11.4
91.06029	1.4
93.07039	8.7
95.04978	6.0
95.08604	6.3
96.96749	0.6
97.02886	7.2
97.06548	2.2
97.10175	0.9
99.04449	2.1
103.05448	0.7
105.07030	11.8
107.04932	2.1
107.08596	8.7
109.02882	11.4
109.06516	2.7
109.10148	8.5
111.04436	5.2
111.08075	1.3
115.05463	0.9
117.07001	2.8
119.08586	12.1
121.06499	2.7
121.10129	5.7
123.04476	1.0
123.08071	2.0
123.11716	1.4
127.03918	100.0
128.06248	0.9
129.05464	0.7
129.06992	2.6
131.04828	0.7
131.08571	2.5
133.06499	5.8
133.10127	9.9
135.08047	4.9
135.11693	2.6
137.05983	1.7
137.09610	2.1
141.07014	1.0
142.07768	1.0
143.08586	3.1
145.04980	1.4
145.06519	0.7
145.10126	2.6
147.04434	0.9
147.08017	5.4
147.11691	4.1
149.09625	2.8
151.11211	1.5
157.06517	1.0
157.10098	4.0
157.91365	0.6
159.08083	1.0
159.11690	2.7
161.05984	1.3
161.09590	4.3
161.13324	0.7
163.03882	1.6
163.07501	1.0
163.11154	3.5
165.09087	6.4
167.07062	0.9
169.10120	1.2
171.08093	0.9
171.11693	2.6
173.06039	1.0
173.09718	1.0
175.11211	2.4
179.10713	2.8
181.10133	1.6
183.11577	0.7
185.09587	3.4
187.11143	1.2
189.09071	3.9
189.12685	0.9
191.10721	1.1
193.10419	0.7
193.12276	3.0
195.11632	0.9
199.11186	6.7
203.10687	1.1
205.12048	0.7
207.10143	4.2
211.11575	0.6
211.13226	3.5
217.12273	3.2
225.11203	14.5
227.10806	0.7
235.13187	1.6
251.17831	0.8
267.12222	0.7
267.15982	1.8
273.14868	0.8
273.18741	0.8
287.20038	1.2
297.18524	2.7
301.14505	1.0
315.19580	7.4
333.13095	1.4
333.20816	0.7
337.14566	0.9
357.20581	1.6
423.21652	1.7
441.22797	5.0
459.23560	2.0
477.28354	1.0
585.30298	1.1
603.30096	1.9
621.32648	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05513	0.4
55.33596	0.3
60.08358	0.3
67.05512	0.5
70.21054	1.5
72.25674	0.3
76.76009	0.3
79.05450	0.4
81.07032	0.6
93.07024	0.5
93.22623	0.3
93.54137	0.3
95.08630	0.4
102.98451	0.3
105.07013	0.4
109.10161	0.4
135.08072	0.3
145.10158	0.3
145.27742	0.3
209.10777	0.4
277.29312	0.3
279.39212	0.3
300.10968	0.3
300.15079	0.4
367.56143	0.3
375.16083	0.6
385.10461	0.3
387.16217	0.6
388.17056	1.0
389.17603	2.5
390.18457	1.3
391.19305	0.7
401.17755	0.8
402.18427	1.2
403.15430	0.6
403.19510	4.3
404.20111	2.1
405.20828	2.6
406.21521	0.4
416.16327	1.1
416.20746	0.5
417.17062	2.8
417.21021	2.6
418.16992	0.5
418.21573	1.1
419.17551	0.6
419.22449	6.4
420.22931	1.0
429.21494	0.3
430.18124	1.1
431.18164	6.5
431.23471	0.5
432.19003	2.0
433.20053	2.7
442.18271	0.4
443.18561	0.4
444.19489	0.7
445.20166	6.1
446.21002	7.6
447.21790	10.0
447.27759	0.6
448.22876	0.5
459.17252	0.8
459.21887	2.1
460.18295	0.4
461.19720	1.3
463.21317	0.4
472.22522	0.3
473.19104	0.9
473.24091	0.9
474.20331	6.0
475.21347	8.3
476.21478	0.5
477.23514	0.5
487.21411	3.5
488.22058	1.1
491.20813	1.1
501.22662	2.1
502.23041	0.4
505.22241	1.0
505.25998	0.9
518.23291	0.6
519.19891	0.6
529.22565	0.8
533.25537	16.7
534.26105	0.9
546.23145	0.4
561.24951	23.0
562.25195	1.4
589.24652	1.1
593.27673	4.1
621.27063	100.0
622.27319	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	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05515	2.1
57.07069	2.0
67.05492	3.0
71.08647	2.1
71.59541	2.6
73.93037	1.4
81.07053	4.0
83.13812	1.7
83.46950	1.8
93.07035	1.5
95.08620	3.1
105.07063	1.7
109.10165	2.9
135.53343	1.4
143.60054	1.4
157.91588	1.3
211.13211	2.3
389.17712	2.4
403.19241	2.0
404.19919	3.3
405.21097	1.5
417.16260	2.2
417.21124	2.8
418.21753	2.1
419.22400	4.7
431.18140	2.7
432.32700	1.6
441.04828	1.6
445.20309	5.9
446.20908	3.3
447.21976	7.8
461.19296	2.1
474.20428	10.5
475.21616	12.8
487.21533	3.0
501.22916	4.5
502.24313	1.8
505.26352	2.8
533.25702	10.5
561.24994	41.1
562.25726	3.7
589.24799	2.7
621.27075	100.0
622.27557	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	621.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.4
57.73876	0.2
65.70314	0.2
67.05462	0.2
70.87790	0.2
71.60696	0.3
94.06561	0.3
105.07020	0.2
106.06490	0.4
145.81184	0.2
151.17990	0.2
158.75433	0.2
197.15089	0.2
207.09000	0.4
208.09650	0.2
209.10727	0.2
210.11261	0.3
221.10612	0.6
222.11302	0.3
222.59142	0.2
223.12187	0.3
231.90768	0.2
233.10599	0.3
235.12238	0.3
237.09985	0.2
245.10797	0.2
247.12231	0.2
249.10213	0.3
298.13504	0.2
310.13318	0.2
314.12881	0.2
373.14557	0.5
374.15253	0.6
375.16049	0.8
386.16016	0.3
387.16269	0.6
388.17050	1.4
389.17670	3.4
390.18491	1.8
391.19107	0.8
400.17126	0.3
401.17935	1.3
402.13831	0.3
402.18878	1.9
403.19348	6.1
404.20114	3.0
405.20749	1.8
413.17484	0.3
415.19946	1.2
416.15387	1.6
416.20239	1.0
417.16940	3.5
417.20886	3.5
418.17172	0.6
418.21451	1.4
419.22406	8.4
420.22568	0.7
429.16861	0.7
429.21393	0.5
430.16907	1.6
431.18066	8.2
432.18832	2.8
433.20074	1.5
441.17105	0.3
443.18536	1.0
444.20038	1.0
445.20203	6.8
446.20917	4.3
447.21783	9.8
448.22260	0.7
455.18427	0.3
457.20651	0.4
458.21066	0.6
459.17511	1.6
459.21991	2.5
460.18817	0.9
461.19629	1.0
463.21536	0.3
472.18927	0.2
473.19363	1.1
473.23883	0.9
474.15430	0.1
474.20377	9.5
475.21268	14.1
476.21643	1.2
477.23264	0.3
486.20297	0.3
487.21368	4.0
488.22000	1.3
489.22485	0.3
490.24026	0.4
491.20682	0.6
501.22925	2.3
502.24026	0.4
503.20654	0.4
504.21692	0.2
505.25546	1.2
506.23047	0.3
517.22211	0.6
518.23010	0.7
519.20148	0.4
520.24622	0.4
523.39789	0.3
529.22253	0.8
531.36743	0.5
533.25543	10.5
534.25507	0.7
535.22931	0.4
545.21912	0.3
546.22388	0.8
561.24976	68.6
562.25299	4.9
589.24402	1.7
593.27509	3.1
621.27069	100.0
622.27454	7.0
622.37952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1817
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
53.03949	0.3
55.05513	2.0
55.73169	0.2
56.06709	0.2
56.96547	0.2
57.03435	0.7
61.02920	1.0
66.83562	0.2
67.05522	0.2
68.99820	0.4
69.03430	37.5
69.92850	0.9
69.93257	0.4
71.01353	1.0
71.04995	4.0
71.05365	0.3
79.28419	0.1
83.04984	10.3
85.02906	4.9
86.09711	0.3
87.04453	0.4
91.05478	0.2
93.07017	0.2
97.02883	0.2
99.04464	0.4
101.06026	0.2
105.03399	0.2
107.04983	0.2
109.02902	0.2
111.00813	0.4
111.04446	10.7
121.02882	1.5
127.03951	0.4
129.05481	22.3
133.02859	0.3
137.02361	0.5
147.04427	0.6
153.01833	1.9
157.06487	0.2
165.01820	0.9
171.06593	0.2
173.06067	0.2
177.05484	0.2
183.02930	0.5
185.06020	0.3
189.07585	8.6
213.05467	0.7
231.06519	0.3
241.04921	0.8
258.05243	0.4
259.06039	0.3
287.05499	100.0
288.05829	1.1
329.06549	0.3
355.15405	0.3
374.59085	0.2
397.09067	0.4
433.11316	10.6
434.11160	0.2
475.12500	0.4
621.24622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
62.60192	0.3
63.86090	0.3
64.99110	0.3
70.08424	1.2
70.08818	0.5
87.20853	0.3
88.24281	0.3
138.73233	0.3
211.41586	0.3
221.06992	0.3
221.10756	0.3
275.62411	0.3
310.13327	0.4
375.16043	0.6
377.17856	0.4
387.16278	0.6
388.16855	0.7
389.17685	2.5
390.18536	0.9
391.18982	0.6
401.13412	0.3
401.17908	0.7
402.14075	0.4
402.18808	1.4
403.14679	0.4
403.19562	3.6
404.20062	1.9
405.20746	2.1
415.19678	0.7
416.16245	1.0
416.20789	0.5
417.16132	3.3
417.21115	2.1
418.17313	0.5
418.21826	0.9
419.22479	4.7
420.23151	0.3
429.16571	0.5
430.17865	0.9
431.18216	6.2
431.23550	0.5
432.19168	1.8
433.20047	1.8
443.18744	0.5
444.19769	0.5
445.20316	4.1
446.21152	2.9
447.21738	2.0
458.20520	0.4
459.17404	0.5
459.22226	1.0
461.19714	0.9
473.19315	0.7
474.20590	0.9
475.21323	1.2
477.23145	0.4
487.21384	0.5
533.25854	1.6
561.24945	5.0
589.24677	0.5
593.27704	1.2
621.27130	100.0
622.27502	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	620.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.3
55.01870	16.5
55.05515	9.2
57.03431	5.4
57.07090	1.8
58.28392	1.0
61.02929	2.0
65.03922	1.3
67.05505	41.9
69.03432	32.9
69.07072	7.9
70.09660	3.6
70.10085	2.1
71.04995	11.9
73.02907	6.6
79.05061	1.7
79.05492	26.6
81.03420	36.9
81.07056	46.1
83.04960	3.7
83.08609	3.9
85.02909	18.6
85.06541	2.4
91.05487	16.2
93.07047	33.1
95.04952	3.9
95.08609	40.5
96.28656	1.2
97.02895	36.7
97.10152	2.3
98.21498	1.3
99.04456	63.9
99.08092	1.5
101.02369	4.4
105.07036	12.7
107.08605	17.9
107.58995	1.1
109.02883	35.6
109.10154	20.9
111.04436	10.5
115.03900	1.8
117.07024	7.4
119.08578	11.3
121.10136	19.4
123.08046	1.4
123.11716	11.2
127.03919	100.0
129.05486	2.5
129.06993	1.7
131.08556	11.2
133.10144	10.6
135.11687	14.5
137.09570	1.2
137.13255	3.6
143.08600	1.1
145.04971	19.8
145.10115	8.1
147.11719	7.8
149.13251	7.0
151.14734	1.5
157.10109	2.5
159.11644	8.0
161.13231	6.6
163.14830	4.1
173.13277	7.4
175.14838	2.4
177.12856	1.7
177.16319	1.6
180.08690	2.0
185.13283	2.2
187.14825	4.3
197.13248	1.2
199.14754	1.7
203.14445	1.5
215.13911	1.1
241.19563	3.1
243.21140	8.8
259.20602	8.5
261.22131	24.1
277.21606	10.4
279.23312	6.0
283.01974	1.4
301.21585	1.5
303.23291	1.5
315.23322	2.1
339.23148	2.2
341.24609	3.0
351.23340	3.0
357.24054	5.3
359.25854	1.6
369.24234	8.4
375.25223	1.7
387.25305	7.0
405.26358	13.0
423.27441	73.3
424.27698	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	620.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52662	1.5
51.72355	1.3
53.03935	4.0
55.05502	3.6
58.11374	1.5
60.04502	1.7
63.34115	1.6
67.05512	2.8
69.03439	8.6
69.07076	2.6
69.12275	1.5
70.86042	3.7
71.04987	3.2
79.05057	1.4
79.05486	5.6
81.03414	18.4
81.07057	9.2
83.04991	1.8
83.08627	2.2
83.12947	2.0
85.02911	5.5
91.05484	10.8
93.07066	11.5
95.04969	4.3
95.08613	9.7
97.02892	21.3
97.06506	1.9
98.09692	2.5
99.04486	4.3
105.07034	13.9
107.04946	2.3
107.08595	17.2
109.02886	100.0
109.06512	4.6
109.10154	6.2
111.04466	2.3
111.08098	5.2
119.08589	36.0
121.06516	4.9
121.10146	12.4
122.00022	1.6
123.08073	12.2
123.11739	3.0
125.09636	76.5
126.05515	3.5
127.03926	73.7
128.04262	3.9
131.04889	2.0
133.10149	29.8
135.11697	4.5
136.68385	1.5
137.09636	4.5
143.08580	5.2
145.04977	6.8
145.06451	2.0
145.10083	3.2
147.08066	17.9
149.09636	2.4
151.07503	3.1
151.11232	2.6
161.09636	20.0
163.11209	2.8
165.09117	18.9
179.10703	14.4
185.16885	1.6
189.09088	14.5
207.10173	22.4
225.11238	37.2
225.13370	2.7
226.11574	1.9
229.05864	1.8
254.08987	1.9
267.12256	3.5
313.18246	2.1
331.19122	9.8
333.13394	7.2
349.20087	19.5
351.14310	7.4
363.12677	1.8
364.15305	4.8
391.21255	11.1
439.21005	3.6
457.22269	43.4
475.23331	38.7
493.24149	4.5
576.25421	1.8
601.70105	2.2
621.23987	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
54.55328	0.6
55.05502	2.2
56.14462	0.6
56.84796	0.6
57.03431	1.1
60.15389	0.6
67.05510	8.6
68.99808	0.7
69.03420	3.5
69.07052	1.8
71.05009	3.3
71.05328	0.7
71.34241	1.8
78.09361	0.5
79.05500	6.3
81.03427	7.3
81.07061	9.1
83.04980	0.9
83.08626	1.3
85.02885	2.1
91.05492	4.8
93.07050	7.7
95.04983	3.4
95.08618	6.7
97.02892	3.6
97.06528	1.0
105.07031	5.2
107.08587	4.2
109.02884	2.0
109.06511	2.4
109.10161	2.6
111.04459	1.1
111.08073	0.8
113.05996	2.4
117.07001	1.9
119.08587	2.9
121.06448	1.0
121.10143	3.6
123.04435	34.2
123.08044	0.9
123.11697	1.3
125.09678	0.7
127.03896	2.3
129.07002	1.5
131.08560	3.9
133.06496	1.4
133.10123	2.7
135.11691	2.1
139.03885	3.3
143.08542	1.4
145.10118	3.0
147.08028	0.8
147.11690	1.9
149.09651	1.0
149.13249	1.5
151.04036	0.8
151.07545	13.7
154.34019	0.7
155.03398	3.7
155.06935	0.9
157.10132	1.3
159.11687	2.4
161.05986	0.9
161.09512	0.7
161.13286	1.4
163.11240	0.9
171.11668	1.1
173.13278	1.8
175.07579	0.8
177.36281	0.7
179.07047	30.8
185.13182	0.9
187.14886	0.8
191.07091	1.0
197.08102	100.0
198.08466	1.3
209.08177	1.1
221.08044	2.6
221.15512	0.7
233.96431	0.6
239.09258	3.7
243.21161	0.9
259.20563	0.8
261.22189	2.3
263.09238	1.5
277.21701	0.7
287.09219	0.9
303.09061	0.7
303.23236	0.8
305.10239	1.8
334.29495	0.7
387.25244	1.0
398.61902	0.7
405.26273	1.4
619.41858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2765
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
53.03941	0.5
55.01874	2.3
55.05499	0.4
56.74785	0.3
56.96569	0.6
65.03944	0.3
67.05491	1.4
69.03419	1.4
69.07059	0.8
69.53889	0.3
71.59677	0.4
79.05488	1.5
80.05016	0.3
81.03415	1.1
81.07049	1.7
83.04989	0.5
85.02911	1.6
86.09747	0.3
91.05468	2.0
93.05811	0.8
93.07044	2.2
94.06567	0.8
95.04961	1.5
95.08604	1.3
96.96465	0.3
97.02884	1.4
97.06527	0.7
98.97562	0.5
99.04459	0.4
103.05458	1.2
105.07011	1.2
107.04951	0.5
107.08564	1.2
108.04453	0.9
108.08110	3.9
109.02875	1.0
109.10159	0.8
110.09704	1.5
115.05397	0.4
116.98634	0.5
117.07041	0.6
118.06558	0.4
119.04987	0.7
119.08582	1.1
120.08112	1.2
121.06465	0.7
121.10136	0.6
122.06023	0.4
122.09670	1.0
122.23459	0.3
123.04437	0.5
123.08011	0.6
125.09621	0.6
127.03906	2.0
131.04904	1.9
131.08559	0.8
133.02835	0.3
133.06483	0.5
133.10132	0.9
134.06047	0.6
134.99663	0.4
135.04372	0.5
136.07578	30.3
137.05946	1.1
138.05498	0.3
143.08582	0.6
144.08235	0.4
144.68069	0.4
145.02858	0.4
145.06454	0.6
145.10158	0.4
147.04410	0.9
147.08046	0.4
147.11726	0.6
148.07553	0.6
149.09668	0.5
151.03925	0.4
151.07495	0.4
152.07059	0.7
157.10071	0.3
159.11618	0.4
160.03929	1.0
161.04698	0.6
161.05978	0.6
161.09653	0.5
162.05511	0.5
163.03868	1.8
163.07573	0.8
164.07062	8.4
165.09119	0.7
166.08669	2.7
167.07089	0.9
168.06541	0.6
168.08043	0.4
171.11708	0.4
177.05453	1.4
178.04979	2.5
179.03482	0.3
179.07149	0.4
182.09535	0.4
183.09193	0.7
185.07111	0.8
185.10719	0.6
186.09206	0.4
188.03452	0.4
188.07120	0.4
191.07037	0.4
195.09087	0.5
197.10710	0.5
198.07837	0.4
199.08685	1.3
201.06621	2.8
201.10326	0.7
209.10788	0.6
210.09215	0.5
210.11365	0.4
211.08664	0.4
211.12350	0.4
213.06577	4.3
213.10242	2.7
214.08768	0.4
218.62680	0.4
219.07622	1.2
223.08507	0.6
223.12251	0.5
224.09448	1.2
224.45930	0.3
225.10248	0.7
225.13904	0.8
227.08209	1.7
227.11789	1.3
227.15605	0.4
228.06425	0.5
229.09740	2.4
231.07716	2.1
237.10197	1.1
238.08582	0.8
238.10893	0.6
239.11768	1.3
241.09692	2.8
247.11188	0.3
251.08165	0.7
252.09071	0.5
253.13232	1.6
254.11774	0.7
255.07521	2.1
255.11305	2.8
255.15053	0.5
257.09146	1.1
257.12866	0.5
259.10574	0.4
265.09772	1.6
266.07736	0.5
267.11353	0.4
269.09207	5.7
269.12280	0.5
271.14511	0.8
273.08673	0.9
273.12976	0.6
273.15948	3.3
275.10309	0.5
281.12811	4.6
283.10773	7.0
283.13577	0.3
285.12430	0.5
287.10287	1.0
293.09125	1.3
299.13916	6.3
301.11896	1.2
303.04877	0.4
303.13354	3.6
311.10263	32.0
329.11316	100.0
330.11432	1.1
347.12405	1.1
399.16122	0.5
415.16516	0.6
421.34515	0.4
422.20731	1.4
432.19247	0.6
438.20276	11.9
450.20285	7.4
469.53290	0.4
490.15851	0.5
538.17743	0.4
559.27344	0.9
571.17822	0.5
583.25507	0.8
595.19226	1.1
595.69330	0.9
601.26575	10.1
619.21606	1.1
619.31317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95465	0.2
53.03941	1.7
55.01868	0.4
55.05520	1.7
57.03438	0.7
57.07062	0.3
63.25360	0.2
65.03951	0.6
67.05502	1.3
69.03443	1.4
69.07057	1.1
69.16030	0.2
71.04983	1.3
71.61729	0.4
72.09924	0.2
73.40845	0.2
73.73153	0.2
78.09811	0.2
79.05489	1.1
81.03422	5.8
81.07056	2.4
83.01371	0.3
83.04984	1.1
83.08615	0.8
84.31570	0.2
85.02919	1.6
85.06562	0.4
88.59324	0.3
91.05473	1.2
93.07057	1.4
93.82683	0.3
95.04964	0.7
95.08608	4.1
97.02893	1.8
97.06517	0.3
97.10182	0.6
99.04456	0.8
104.30785	0.2
105.07037	2.4
107.04974	0.5
107.08597	2.2
109.02884	18.8
109.06521	1.1
109.10156	1.4
111.04441	2.3
111.08099	1.7
113.05998	1.2
115.03967	0.3
115.05465	0.2
117.07023	0.7
119.08589	3.2
121.06513	0.6
121.10132	1.9
123.04391	0.3
123.08047	1.2
123.11717	0.5
125.06026	0.4
125.09623	2.0
127.03921	100.0
127.37006	0.3
129.05464	0.3
129.06993	0.5
131.08586	1.2
133.06508	0.6
133.10127	2.9
135.08031	0.6
135.11729	0.4
137.05957	0.4
139.03905	4.4
142.07787	0.4
143.08554	1.2
145.04988	0.8
145.06535	0.4
145.10107	2.3
147.08028	1.2
147.11717	1.2
149.06024	0.4
149.09619	0.6
149.13235	0.5
153.05482	0.4
155.08542	0.6
157.10063	1.5
159.03578	0.3
159.08060	1.0
159.11725	1.7
161.09637	1.9
161.13269	0.6
163.07607	0.6
163.11221	0.7
165.09108	0.9
169.10158	0.7
171.11708	0.8
173.09683	0.9
173.13213	0.6
175.07544	0.7
175.11217	1.0
177.09152	1.0
179.10722	0.9
183.11728	0.7
185.05997	0.3
185.09686	0.4
185.13315	0.9
187.11183	0.7
187.14877	0.9
189.09134	1.7
189.12752	0.4
193.08627	0.4
197.13254	0.3
199.11244	0.4
199.14865	0.3
201.09146	0.5
201.12762	0.5
201.16292	0.5
203.10703	1.0
203.14374	0.3
205.08647	0.7
207.10213	0.7
211.11087	0.3
211.15013	0.2
215.10641	1.2
215.14005	0.3
219.10092	0.5
225.11122	0.5
225.16396	1.0
227.14400	0.3
229.12231	0.5
229.15904	0.5
239.17856	0.4
243.13835	0.5
243.17453	0.7
245.08011	0.3
245.15225	0.3
253.15839	0.4
257.19199	0.4
267.17535	0.9
271.16965	0.8
285.18500	2.1
287.05579	0.8
287.09247	1.3
287.16449	0.3
295.16907	0.5
303.19574	0.7
313.18076	1.4
331.19022	4.2
349.20105	15.8
391.21179	14.8
411.21713	0.4
421.21677	0.3
439.21194	0.8
457.22256	9.0
475.23300	8.1
493.24625	0.5
519.03845	0.3
601.28204	0.3
619.28253	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01871	1.6
55.05511	2.1
56.02208	0.5
56.96559	1.0
57.03433	0.6
58.38306	0.5
65.03944	0.7
67.05511	1.6
69.03427	2.8
69.07063	2.8
69.30257	6.3
69.30598	1.1
71.04998	1.2
76.21630	0.5
79.05481	2.1
81.03416	4.8
81.07066	2.8
83.04998	1.0
83.08607	2.8
85.02914	1.9
89.87735	0.6
91.05495	3.5
93.07058	4.9
95.04978	1.7
95.08619	1.9
97.02888	5.9
98.03684	1.3
99.04464	2.1
105.07035	14.3
107.04974	0.7
107.08595	6.5
109.02875	10.5
109.06512	1.4
109.10159	2.4
110.03696	0.7
111.04445	2.2
111.08081	3.8
117.07040	0.6
119.08586	9.4
121.06503	0.8
121.10156	2.6
123.08073	2.3
123.11718	1.0
124.49774	0.5
125.09618	3.9
127.03922	100.0
129.07007	3.1
129.09120	2.1
131.08580	1.8
133.06499	2.0
133.10130	7.0
135.08052	1.3
135.11728	1.4
137.09619	0.8
138.61943	0.5
143.03395	2.4
143.08575	1.7
145.04967	1.6
145.06494	0.7
145.10191	1.3
147.08026	4.0
151.07593	0.8
151.11163	0.7
154.07790	1.0
155.08539	1.1
157.05115	0.7
157.10132	1.5
159.08057	1.1
161.09625	3.5
163.07594	0.7
165.07091	0.7
165.09105	4.2
169.10152	1.6
171.11722	0.8
173.01349	0.5
177.05476	0.7
179.10654	3.1
189.09140	3.5
197.09636	3.0
205.42679	0.5
207.10175	5.6
214.17964	1.3
215.10706	1.7
215.18518	0.7
225.11232	10.4
267.12531	0.6
271.04343	0.6
273.13419	0.7
287.08832	0.9
313.18130	0.9
331.18970	0.8
333.13336	1.9
349.20001	1.1
351.14386	1.1
352.15341	1.0
371.18311	4.4
372.15158	0.9
372.65451	1.3
399.16556	4.7
412.20831	0.7
419.16824	0.6
421.19916	1.3
439.20905	0.7
457.21960	1.0
496.19211	1.1
504.20465	0.6
512.71631	1.0
575.24255	2.2
612.37836	0.6
618.76746	1.2
619.23315	24.2
620.23401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01871	1.6
55.05511	2.1
56.02208	0.5
56.96559	1.0
57.03433	0.6
58.38306	0.5
65.03944	0.7
67.05511	1.6
69.03427	2.8
69.07063	2.8
69.30257	6.3
69.30598	1.1
71.04998	1.2
76.21630	0.5
79.05481	2.1
81.03416	4.8
81.07066	2.8
83.04998	1.0
83.08607	2.8
85.02914	1.9
89.87735	0.6
91.05495	3.5
93.07058	4.9
95.04978	1.7
95.08619	1.9
97.02888	5.9
98.03684	1.3
99.04464	2.1
105.07035	14.3
107.04974	0.7
107.08595	6.5
109.02875	10.5
109.06512	1.4
109.10159	2.4
110.03696	0.7
111.04445	2.2
111.08081	3.8
117.07040	0.6
119.08586	9.4
121.06503	0.8
121.10156	2.6
123.08073	2.3
123.11718	1.0
124.49774	0.5
125.09618	3.9
127.03922	100.0
129.07007	3.1
129.09120	2.1
131.08580	1.8
133.06499	2.0
133.10130	7.0
135.08052	1.3
135.11728	1.4
137.09619	0.8
138.61943	0.5
143.03395	2.4
143.08575	1.7
145.04967	1.6
145.06494	0.7
145.10191	1.3
147.08026	4.0
151.07593	0.8
151.11163	0.7
154.07790	1.0
155.08539	1.1
157.05115	0.7
157.10132	1.5
159.08057	1.1
161.09625	3.5
163.07594	0.7
165.07091	0.7
165.09105	4.2
169.10152	1.6
171.11722	0.8
173.01349	0.5
177.05476	0.7
179.10654	3.1
189.09140	3.5
197.09636	3.0
205.42679	0.5
207.10175	5.6
214.17964	1.3
215.10706	1.7
215.18518	0.7
225.11232	10.4
267.12531	0.6
271.04343	0.6
273.13419	0.7
287.08832	0.9
313.18130	0.9
331.18970	0.8
333.13336	1.9
349.20001	1.1
351.14386	1.1
352.15341	1.0
371.18311	4.4
372.15158	0.9
372.65451	1.3
399.16556	4.7
412.20831	0.7
419.16824	0.6
421.19916	1.3
439.20905	0.7
457.21960	1.0
496.19211	1.1
504.20465	0.6
512.71631	1.0
575.24255	2.2
612.37836	0.6
618.76746	1.2
619.23315	24.2
620.23401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01866	0.5
55.05505	0.6
57.03417	0.4
59.04985	0.4
67.05508	1.4
69.03429	3.8
69.07059	0.8
71.04987	0.9
71.05780	0.9
77.84341	0.3
79.05495	2.0
81.03423	8.4
81.07064	2.9
83.01384	0.4
83.04984	0.6
85.02915	0.4
91.05485	3.1
93.07054	5.3
95.04967	1.2
95.08604	2.8
97.02896	7.9
99.04465	1.5
105.07040	5.5
107.04959	0.5
107.08602	5.8
109.02886	38.7
109.06534	3.0
109.10137	1.2
111.04440	1.1
111.08072	2.2
113.06018	0.4
115.03879	0.6
117.07012	0.8
119.08591	15.0
121.06535	1.2
121.10147	4.7
123.04443	0.3
123.08081	4.9
123.11707	1.0
124.08836	0.6
125.09638	32.2
127.03923	100.0
128.04324	0.4
131.08586	0.3
133.06516	0.5
133.10139	12.6
135.08072	0.4
135.11687	1.4
137.05972	0.4
137.09618	2.2
143.08575	2.2
145.04968	3.3
145.06076	0.4
145.06538	0.3
145.10124	1.2
147.08049	7.0
151.07550	0.6
151.11188	1.8
157.10089	0.3
159.11769	0.6
161.09630	8.8
163.07594	0.5
163.11220	0.8
165.09135	9.9
166.04486	0.3
171.08073	0.5
171.11673	0.4
175.11200	0.6
179.10684	6.3
187.11192	0.6
189.09116	7.4
199.11282	0.3
203.10858	0.4
207.10181	9.8
225.11221	17.9
249.11154	0.5
256.46448	0.4
267.12317	1.5
271.16754	0.4
285.18661	0.4
289.18109	1.5
295.16974	0.5
313.17987	0.9
315.12369	1.0
331.19064	4.9
333.13300	2.0
349.20139	3.8
351.14331	2.9
367.21027	0.3
369.15930	0.4
391.21121	2.1
421.22134	0.6
439.21240	0.5
457.22156	5.1
475.23242	3.8
493.24246	0.5
581.89294	0.3
594.58167	0.3
619.27484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01871	0.4
55.05514	1.0
57.03420	0.3
63.02998	0.3
67.05498	0.9
69.03437	1.1
69.07078	0.8
71.04992	1.1
71.61772	0.5
79.05499	1.3
81.03421	2.9
81.07040	1.6
83.01372	0.4
83.04977	1.0
85.02905	1.3
85.60319	0.3
91.05472	1.2
93.07047	1.5
95.04980	1.0
95.08625	2.3
97.02887	2.9
97.06547	0.5
97.10198	0.5
99.04462	1.0
99.96072	0.4
105.07021	1.7
107.08609	1.7
109.02888	6.8
109.06506	0.8
109.10172	1.0
111.04441	1.2
111.08103	1.0
113.05998	0.4
117.07060	0.5
119.08591	2.8
121.10128	1.5
123.08069	1.0
123.11731	0.7
125.09624	2.0
127.03923	100.0
131.08566	0.8
133.10112	2.2
135.11719	0.4
137.09607	0.6
139.03915	2.8
140.45790	0.3
143.08571	0.7
145.04959	0.9
145.06523	0.4
145.10181	0.8
147.08104	0.4
147.11703	1.1
149.09624	0.4
149.13277	0.8
157.10129	1.0
159.08092	0.6
159.11717	1.0
161.09631	1.4
161.13298	0.5
163.11186	0.8
163.14868	0.4
165.09116	0.6
169.10092	0.4
171.08064	0.3
171.11668	0.8
173.09663	0.9
173.13300	0.7
175.11151	0.6
175.14867	0.4
179.10661	0.5
183.11693	0.4
185.13307	0.5
187.11095	0.4
187.14893	0.7
189.09143	1.3
193.08533	0.4
196.08919	0.4
197.13333	0.4
201.09212	0.4
201.12802	0.6
201.16229	0.4
203.10718	0.6
203.17940	0.7
207.10223	0.6
211.11246	0.4
211.14871	0.5
215.06966	0.4
215.10858	0.6
217.12196	0.4
225.11234	1.2
225.16299	0.5
229.12305	0.4
241.15927	0.4
245.08138	0.5
247.06406	0.5
261.14874	0.3
267.17404	1.2
269.08066	0.6
271.17053	0.6
285.18561	2.8
287.09155	0.6
287.16766	0.4
287.20255	0.4
295.17020	1.3
303.19598	1.0
313.17999	3.2
331.19016	3.8
349.20181	3.4
371.18207	0.6
373.20090	0.6
391.21188	6.9
393.56732	0.4
429.23102	0.6
439.21259	0.8
457.22272	5.6
475.23273	5.6
493.24371	0.6
619.28302	1.7
645.69672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01871	0.4
55.05514	1.0
57.03420	0.3
63.02998	0.3
67.05498	0.9
69.03437	1.1
69.07078	0.8
71.04992	1.1
71.61772	0.5
79.05499	1.3
81.03421	2.9
81.07040	1.6
83.01372	0.4
83.04977	1.0
85.02905	1.3
85.60319	0.3
91.05472	1.2
93.07047	1.5
95.04980	1.0
95.08625	2.3
97.02887	2.9
97.06547	0.5
97.10198	0.5
99.04462	1.0
99.96072	0.4
105.07021	1.7
107.08609	1.7
109.02888	6.8
109.06506	0.8
109.10172	1.0
111.04441	1.2
111.08103	1.0
113.05998	0.4
117.07060	0.5
119.08591	2.8
121.10128	1.5
123.08069	1.0
123.11731	0.7
125.09624	2.0
127.03923	100.0
131.08566	0.8
133.10112	2.2
135.11719	0.4
137.09607	0.6
139.03915	2.8
140.45790	0.3
143.08571	0.7
145.04959	0.9
145.06523	0.4
145.10181	0.8
147.08104	0.4
147.11703	1.1
149.09624	0.4
149.13277	0.8
157.10129	1.0
159.08092	0.6
159.11717	1.0
161.09631	1.4
161.13298	0.5
163.11186	0.8
163.14868	0.4
165.09116	0.6
169.10092	0.4
171.08064	0.3
171.11668	0.8
173.09663	0.9
173.13300	0.7
175.11151	0.6
175.14867	0.4
179.10661	0.5
183.11693	0.4
185.13307	0.5
187.11095	0.4
187.14893	0.7
189.09143	1.3
193.08533	0.4
196.08919	0.4
197.13333	0.4
201.09212	0.4
201.12802	0.6
201.16229	0.4
203.10718	0.6
203.17940	0.7
207.10223	0.6
211.11246	0.4
211.14871	0.5
215.06966	0.4
215.10858	0.6
217.12196	0.4
225.11234	1.2
225.16299	0.5
229.12305	0.4
241.15927	0.4
245.08138	0.5
247.06406	0.5
261.14874	0.3
267.17404	1.2
269.08066	0.6
271.17053	0.6
285.18561	2.8
287.09155	0.6
287.16766	0.4
287.20255	0.4
295.17020	1.3
303.19598	1.0
313.17999	3.2
331.19016	3.8
349.20181	3.4
371.18207	0.6
373.20090	0.6
391.21188	6.9
393.56732	0.4
429.23102	0.6
439.21259	0.8
457.22272	5.6
475.23273	5.6
493.24371	0.6
619.28302	1.7
645.69672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	0.5
55.05473	0.5
55.58006	0.4
57.07025	0.9
59.58316	0.4
60.10461	0.5
61.01362	0.5
67.05454	1.0
69.25947	1.6
69.26369	4.1
79.05463	0.9
81.07000	0.8
83.04927	0.6
91.05436	0.5
93.06982	0.7
95.08543	1.7
96.44980	0.4
98.98388	0.5
105.06995	0.5
107.08564	1.0
109.10088	1.2
119.08556	0.7
121.10088	0.8
133.10091	0.6
145.10117	0.9
149.13222	0.6
163.11069	0.7
167.53789	0.4
227.12839	0.6
308.11731	0.7
309.09708	0.5
374.16385	0.8
385.14716	0.7
386.15298	1.2
387.16348	0.6
388.17853	0.7
398.15912	1.0
399.16006	3.2
400.16730	3.4
401.17697	3.3
402.18985	0.6
411.16333	0.6
412.17798	0.8
413.17569	3.2
414.18607	6.0
415.19397	8.5
416.20465	1.3
417.20660	1.2
418.18399	0.5
425.17502	1.4
427.19241	1.5
428.20349	3.8
429.21158	8.9
430.22113	2.5
439.19458	1.1
441.17029	1.7
441.30905	0.6
442.17386	2.4
443.18179	3.4
443.22501	4.6
444.18573	4.8
445.20047	2.2
455.18466	1.2
456.19614	1.0
457.20367	5.9
458.21082	4.5
459.22446	0.8
471.22266	7.5
472.23001	6.3
473.19110	3.2
474.20627	0.8
483.18146	0.7
484.18741	0.8
485.19745	2.5
486.20514	7.5
487.21518	2.2
488.22275	1.6
489.23010	0.8
490.19998	3.3
499.21371	9.0
500.22446	3.1
501.22662	0.8
503.24411	4.9
514.19250	0.6
516.21643	2.1
517.22467	1.1
518.19666	0.6
519.39197	0.6
521.38324	3.6
527.20996	2.8
528.21405	0.7
531.23926	9.8
532.24615	0.6
543.23303	0.7
544.20996	0.7
559.23395	100.0
560.23486	3.0
587.22870	16.0
619.25476	54.2
619.41895	1.5
620.25958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99294	0.3
53.03944	0.4
55.01870	0.5
56.96555	0.3
57.03450	0.3
60.04505	0.4
61.01145	1.6
65.03938	0.3
67.05500	0.5
68.99788	0.8
69.03424	0.7
70.06588	0.3
71.59331	0.5
72.04504	2.7
78.03787	4.4
79.05486	0.7
81.03394	0.8
81.07059	0.8
85.02901	1.7
86.09742	0.3
88.02216	1.6
89.03925	0.5
91.05478	1.6
93.07051	0.4
95.04974	0.6
95.08610	0.6
97.02896	0.8
98.97604	0.5
99.05598	0.8
99.08106	0.4
102.03760	7.2
105.07028	2.0
106.04931	0.3
108.02082	0.2
109.02899	0.5
109.06555	0.5
111.08135	0.4
112.07621	0.3
113.05981	0.3
114.03772	0.5
115.05445	1.7
116.98685	0.3
117.03383	0.7
119.04948	0.5
120.04812	0.8
123.04432	5.3
123.08134	0.4
124.07574	0.3
127.03963	0.4
131.06380	5.3
131.75131	0.3
132.04787	4.1
133.06490	3.9
135.04422	0.6
137.05972	0.9
142.08640	1.1
145.02876	1.7
147.04419	0.5
149.07436	50.0
151.07542	6.9
159.05887	0.8
161.05981	18.6
163.03899	2.4
164.04686	3.1
175.05379	0.9
177.00732	0.4
177.05473	3.2
178.05859	0.3
179.07027	100.0
180.07362	1.0
184.09686	0.6
191.08487	0.4
191.23643	0.2
197.08035	0.4
201.07986	0.3
225.07939	0.6
237.02950	0.5
243.11560	0.6
248.06688	0.3
250.10867	1.3
250.13132	0.3
261.12674	17.7
279.13742	3.2
311.12604	0.5
323.11188	0.6
327.13724	19.2
328.13541	0.4
341.12311	0.9
373.15329	1.1
439.19028	4.5
457.19861	0.4
489.18936	3.2
601.24408	2.0
619.19879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.4
51.88231	0.3
53.03939	1.3
55.01856	1.5
55.63329	0.4
57.03426	1.0
59.89838	0.3
61.02914	0.8
65.03932	0.3
67.05517	0.4
68.99773	0.5
69.03430	4.7
70.06588	0.8
71.04984	1.2
73.02905	1.2
74.54110	0.3
78.04713	2.2
79.05495	5.0
81.03411	4.2
81.07049	1.5
83.04942	0.4
85.02422	0.6
85.02909	9.0
87.00819	2.8
91.05482	3.1
93.07021	1.0
95.01085	0.7
95.04975	2.2
97.02907	4.8
99.04446	1.6
103.05475	2.4
104.06273	0.5
105.01850	2.4
105.07028	6.0
106.04156	1.1
107.04959	10.6
107.08566	0.7
109.02890	3.9
109.06484	0.4
111.04395	0.5
113.02184	0.5
115.03947	0.4
115.05468	3.1
116.06206	0.4
117.07011	1.3
118.04140	1.1
118.62674	0.3
119.04919	1.0
119.08611	1.7
121.06511	1.0
122.03616	0.5
123.04446	5.1
124.05220	3.5
125.02351	0.4
125.05986	1.6
127.03917	6.4
128.06236	1.7
129.01875	0.6
129.07004	6.0
130.04109	0.6
131.04932	4.1
131.08562	1.0
132.05739	2.9
133.06483	4.8
133.10143	0.5
137.05943	1.4
139.07558	0.5
141.07039	0.8
143.04929	0.5
144.05687	0.5
145.02834	0.4
145.04988	1.5
145.06474	1.5
147.02904	0.7
147.04395	1.0
147.08063	2.6
148.05133	0.6
149.06013	1.2
151.03899	1.0
151.07561	0.5
151.85233	0.4
152.04675	2.3
153.05482	2.4
155.04881	1.1
155.07037	0.7
156.05733	1.4
157.06512	0.8
157.10191	0.4
159.02885	1.6
159.04295	0.4
159.06818	0.6
159.08052	5.9
160.05214	1.6
161.05989	8.4
161.09492	0.7
163.03928	1.0
163.07465	0.8
165.06967	0.4
167.07043	100.0
169.06456	0.7
171.08075	1.3
172.05205	2.1
173.05959	0.8
174.09091	0.6
175.07552	25.7
176.04648	1.3
177.05511	2.1
178.07745	1.0
179.07053	1.5
179.08534	0.8
181.05032	2.0
181.06430	0.6
181.08647	0.8
181.66046	0.4
183.08133	0.4
184.05235	1.4
185.04308	1.2
185.05937	0.7
186.06712	0.5
187.07552	20.0
189.05508	0.5
189.07033	1.1
189.09084	2.2
190.07729	1.6
191.07043	11.5
191.08582	0.9
192.07819	0.5
193.08604	1.9
193.10240	0.9
199.07550	9.5
201.03690	1.2
201.09064	0.8
202.07796	1.5
203.08571	3.0
204.09384	0.7
205.06483	0.5
205.08458	0.6
205.10178	0.9
206.07227	1.8
207.08060	0.7
209.08124	3.3
215.08669	2.4
217.06558	0.9
217.08655	1.8
218.07298	3.1
219.08128	2.3
220.08867	0.5
221.09625	4.1
223.07518	0.8
226.11060	0.5
229.06566	0.8
230.07289	0.4
231.05066	1.4
231.08032	2.4
232.06841	0.6
232.08846	1.6
233.06053	0.8
233.09651	4.0
234.06734	2.1
235.07518	2.8
236.08145	0.5
241.08527	0.5
243.08089	1.0
245.06049	0.8
246.06766	2.2
247.07642	2.4
248.08401	0.8
249.09146	6.1
250.09839	1.8
251.07016	1.5
251.10902	0.5
257.05911	1.5
258.06729	0.5
259.07535	1.3
260.08438	1.9
261.09128	6.5
262.06284	0.4
262.09845	1.1
263.07059	2.1
263.10788	0.6
264.07648	0.6
265.08594	0.8
265.12183	0.5
266.09473	1.5
267.10297	0.5
271.07483	0.6
274.06253	1.3
275.07040	1.4
275.10553	0.4
276.07797	0.8
277.08682	3.5
278.09290	3.2
279.06506	1.0
279.10123	0.7
281.11679	8.9
281.14435	0.5
283.09732	0.4
288.07706	1.1
288.72797	0.4
289.08597	6.9
289.15402	2.2
290.09384	1.5
291.06546	1.1
291.10199	1.9
292.07361	0.7
292.10818	0.6
293.08469	0.6
293.11697	3.4
294.08878	1.3
295.09567	1.2
303.10208	0.6
305.08337	0.8
306.08887	2.7
307.09625	2.2
308.06982	0.5
308.10254	0.5
309.11258	6.9
310.12125	0.8
311.08978	0.5
321.11188	10.9
322.12024	1.5
323.09155	1.2
325.14279	0.7
326.11530	3.1
338.11450	1.7
339.12207	0.6
341.13846	39.9
345.11179	0.5
351.12259	1.3
353.13834	31.0
365.13834	1.5
371.14929	1.5
383.15128	1.0
395.14914	0.5
409.11145	0.9
431.14661	0.5
486.32507	0.4
488.27948	0.4
619.19812	9.8
619.28217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01874	2.1
55.05503	2.2
57.03415	1.2
62.92388	1.1
65.03939	3.0
67.05502	3.6
69.03432	9.3
69.07045	1.4
70.87534	3.5
71.04989	3.8
74.44109	0.8
74.48404	1.1
79.05495	4.3
81.02985	1.3
81.03426	18.7
81.07077	6.1
83.01315	1.7
83.04971	2.2
83.08613	1.2
85.02912	2.7
91.05483	78.9
93.07039	10.9
95.04964	3.0
95.08623	8.3
97.02896	23.3
97.06532	2.0
98.03242	1.4
99.04441	3.0
105.07025	13.4
107.04933	2.0
107.08611	15.1
109.02885	100.0
109.06530	6.3
109.10161	3.8
111.04437	3.9
111.08074	4.7
115.03937	1.3
117.07024	2.5
119.08588	31.8
120.08882	1.6
121.06525	4.1
121.10150	14.4
123.08081	11.7
123.11707	3.6
124.08842	1.4
124.70489	0.9
125.09637	66.5
127.03922	74.5
128.04237	1.2
128.06282	1.4
129.04335	1.0
129.06984	3.2
131.08583	2.6
133.06502	2.0
133.10144	26.5
134.10423	1.3
135.08058	2.1
135.11739	4.1
137.05992	2.1
137.09621	2.8
141.07002	3.0
143.03397	3.2
143.08574	6.2
144.82550	1.1
145.04951	8.0
145.06503	3.7
145.10126	3.7
147.08054	17.8
147.11627	1.4
148.25977	1.3
149.09633	1.4
149.13220	1.4
151.07512	1.7
151.11195	3.6
157.10150	1.7
159.11702	1.3
161.09624	20.9
163.07484	1.9
163.11171	3.6
165.09137	21.4
171.08122	6.7
171.09454	1.5
175.07591	8.4
179.10684	17.6
181.06500	1.3
189.09132	15.7
199.07547	18.6
199.11290	2.5
207.10181	27.2
213.12825	1.4
217.05171	1.2
217.08559	6.0
225.11205	37.3
226.11644	1.4
227.14383	1.3
229.15874	1.3
234.65666	1.1
249.11298	2.5
264.07019	1.0
267.12354	5.4
271.16843	2.3
287.09201	1.9
289.17999	2.3
305.13547	1.2
311.18762	1.2
313.18152	3.2
315.12256	1.8
331.19031	14.0
333.13364	7.8
349.20151	20.4
351.14304	9.4
367.21036	3.0
391.21176	16.8
421.22083	2.2
439.21317	3.0
451.23148	3.3
457.22226	49.7
475.23318	40.0
493.24472	5.8
511.27274	1.2
533.21222	1.1
547.26807	1.6
565.28320	1.4
583.28876	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.00299	0.3
53.03955	0.4
55.01874	0.7
55.05513	5.7
57.03449	0.6
59.05015	0.3
60.04526	0.5
62.22287	0.3
67.05513	1.4
69.03432	3.6
69.07076	1.1
70.49828	0.5
70.50210	0.6
79.05501	3.4
81.03414	0.9
81.07060	2.0
83.04982	0.8
83.08614	2.9
85.02902	1.7
85.06563	0.2
87.04470	0.5
90.76574	0.2
91.05481	0.7
93.07066	0.7
95.08591	1.3
97.02896	100.0
97.06533	0.5
97.10177	7.6
98.03223	0.4
99.04461	1.1
105.07039	0.7
107.05035	0.2
107.08605	3.0
109.02895	0.3
111.04433	0.4
113.02402	0.3
115.03939	4.4
118.41746	0.2
119.04948	1.5
119.08569	0.5
123.04420	0.4
125.09636	8.1
125.10566	0.5
127.03939	0.6
131.04938	0.5
133.06436	0.3
133.10194	0.4
137.05980	0.6
141.09131	0.4
143.04868	0.3
143.10678	3.5
145.02901	0.4
145.10190	0.4
147.04411	6.7
147.11687	0.5
157.10117	0.4
159.04355	0.3
161.06007	0.4
165.05458	2.0
167.03441	0.3
171.04431	0.7
175.11192	0.7
177.05466	0.7
185.09589	0.6
189.05440	0.7
197.05978	0.3
199.68130	0.3
203.10663	1.9
221.11739	8.7
225.05334	0.4
239.12791	5.1
243.06477	0.7
244.88637	0.2
257.13852	48.7
258.14276	0.3
275.14902	6.8
277.27972	0.3
363.78891	0.3
419.19202	3.6
458.08438	0.3
567.03717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.03946	0.3
55.01871	0.6
56.83025	0.2
57.03438	0.2
57.66837	0.2
65.03925	0.9
67.05518	0.8
69.03416	0.6
69.07042	0.2
70.06590	0.3
71.01372	0.3
71.05003	0.2
71.61034	0.2
73.02896	0.2
77.03931	0.4
79.05485	0.2
81.03417	0.7
81.07055	0.5
83.04977	0.7
83.08572	0.2
85.02908	0.6
85.20651	0.2
86.09698	0.3
87.00837	0.3
91.05486	5.5
93.03400	0.6
93.07027	0.2
95.01333	1.2
95.04971	2.2
95.08631	0.4
97.02900	2.3
97.06528	0.2
98.03238	0.3
101.02377	0.2
102.04729	0.2
103.05472	20.3
105.01873	0.5
105.04563	0.2
107.08591	0.2
109.02884	0.9
111.04443	1.0
113.02372	8.2
115.03984	0.3
119.04950	15.6
119.08616	0.3
121.02863	3.2
124.07600	0.3
125.02357	4.5
127.03914	0.8
131.04933	60.3
132.05281	0.4
133.10109	0.2
137.02328	0.5
139.03896	1.4
141.01872	0.3
143.03441	0.4
147.04416	100.0
148.04742	0.6
149.05957	0.5
155.03381	1.0
159.02892	0.3
165.05476	0.8
167.03432	2.8
177.05405	0.3
185.04457	9.2
203.05484	1.2
219.06508	1.5
221.08098	0.5
255.12251	0.3
256.12582	0.2
257.12668	0.2
271.04538	1.5
289.05548	4.7
307.06656	0.7
315.08698	0.6
319.50345	0.2
333.09723	4.7
401.08655	0.3
417.08109	0.4
419.09778	1.1
435.09360	0.4
437.10684	0.5
479.13629	0.4
534.75568	0.2
583.14508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33993	0.8
56.41761	0.8
60.04326	0.9
66.94472	0.8
67.05509	1.5
76.32645	0.7
81.07042	2.0
83.82093	0.9
93.07048	1.2
95.08610	1.1
112.40958	0.8
145.37242	0.9
278.67523	0.8
283.15161	1.2
428.33090	0.8
617.40240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25248	0.6
53.03935	1.4
55.01874	4.2
55.05507	0.9
56.96569	0.8
57.03431	1.6
60.04535	0.8
65.03952	3.7
66.23232	0.6
67.05509	5.0
68.99773	1.0
69.03428	5.0
69.07065	0.9
70.06595	0.8
71.01365	1.1
71.12350	1.6
73.02897	1.9
81.03413	4.2
81.07040	1.0
83.01353	1.0
83.04984	3.9
85.02917	4.0
86.09704	1.5
87.00840	1.6
91.05481	38.4
93.03406	4.6
93.07042	1.3
95.01331	9.5
95.04959	6.8
95.08608	1.8
97.02898	12.5
97.06510	0.8
99.00810	6.2
99.08115	4.7
103.05478	8.5
104.06297	0.9
105.01845	1.7
105.03395	2.4
105.07025	1.2
107.04955	15.3
107.08585	2.6
109.02862	4.8
111.04453	8.4
113.02370	39.6
113.20402	0.7
115.03919	1.4
115.05409	1.0
119.04945	65.6
119.08582	1.4
121.02879	14.8
121.10127	1.3
122.03226	0.8
123.04366	1.2
125.02361	32.0
127.03904	3.6
128.06223	0.9
129.06975	1.5
133.10071	0.8
135.31686	0.7
137.02339	3.5
137.06059	0.7
139.03894	8.3
141.01845	1.6
141.06989	2.2
142.04977	0.9
143.03436	1.6
144.83719	0.7
145.10136	0.8
147.04414	5.0
147.11624	1.0
149.02365	1.3
151.11249	0.8
153.06966	1.2
154.07803	1.1
155.03406	5.1
157.04915	1.5
167.03418	17.2
167.07060	1.4
167.08530	1.5
169.10078	1.9
171.02879	7.2
171.48227	0.8
177.05608	0.9
178.07784	7.0
179.08557	9.2
182.07307	2.9
185.04460	70.6
189.03917	2.4
193.10146	1.3
193.21245	0.7
195.07953	0.9
197.09622	100.0
203.05507	8.8
203.08495	1.6
207.08076	1.6
211.13255	2.8
221.09598	7.2
226.07014	0.9
231.08009	5.1
249.09146	7.5
253.03362	1.2
259.07358	0.9
271.04520	6.3
277.08597	5.4
283.04434	5.0
289.05548	16.3
295.09637	11.3
301.05508	8.1
317.21088	1.8
359.05896	0.8
367.11719	1.3
387.05582	6.9
479.12750	0.9
532.00232	0.7
583.14081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01866	0.2
55.05505	0.5
57.03426	0.3
60.31833	0.1
61.02920	0.2
62.52708	0.1
67.05506	0.9
69.03431	1.1
69.07073	0.4
71.04996	0.3
79.05488	0.7
81.03419	0.5
81.07064	1.5
83.04987	0.4
83.08616	0.3
85.02910	1.8
87.04458	0.2
91.05495	0.9
93.07061	0.8
93.85976	0.1
95.04980	0.4
95.08617	1.6
97.02895	6.4
97.06540	0.5
99.04439	0.3
105.07052	0.8
107.08616	0.7
109.02868	0.7
109.06546	0.2
109.10146	0.7
111.04520	0.2
115.03936	0.6
117.07040	0.3
119.08567	1.0
121.06543	0.3
121.10156	0.4
123.04430	0.2
123.08045	0.2
125.09692	0.2
127.03922	100.0
128.04279	0.6
129.06984	0.3
131.04912	0.2
131.07683	0.1
131.08617	0.4
133.06424	0.2
133.10110	0.8
135.08090	0.2
135.11737	0.2
137.05931	0.2
137.09552	0.2
139.07573	0.2
143.08585	0.3
145.04961	0.4
145.10136	0.6
147.04451	0.2
147.11708	0.3
149.06010	0.2
149.09700	0.2
149.13319	0.2
151.07565	0.2
157.10106	0.3
159.11726	0.5
161.13280	0.6
163.07530	0.2
169.10194	0.1
171.11690	0.2
173.09760	0.1
175.14821	0.2
177.09111	0.3
179.10663	0.2
179.14310	0.4
185.13200	0.1
187.14771	0.2
197.08067	0.2
197.13147	0.2
199.14851	0.3
203.05702	0.1
213.14946	0.2
225.14862	0.2
226.11469	0.2
257.15411	0.4
263.16388	0.4
269.22617	0.4
275.16415	0.8
281.17419	0.3
287.23682	0.3
289.06073	0.2
289.09192	4.1
293.17422	1.1
305.24646	0.1
311.18576	1.4
329.19724	0.5
397.18250	0.2
402.89288	0.2
417.99036	0.2
617.35089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.9
54.90725	0.9
55.01870	2.1
55.05517	7.4
57.03426	2.7
65.03940	1.0
67.05508	16.6
69.03138	0.9
69.03435	10.0
69.07065	7.0
69.50336	0.9
71.04984	4.0
73.02909	1.2
79.05495	10.0
81.03429	5.6
81.07061	28.3
82.07365	1.1
83.04987	4.6
83.08624	5.8
85.02901	7.3
85.06543	2.1
87.04426	1.3
91.04963	1.6
91.05483	20.7
93.07048	16.0
94.07386	1.3
95.04945	4.6
95.08610	26.9
96.08956	1.5
97.02895	100.0
97.06534	9.9
97.10176	1.8
98.03235	1.2
99.04443	2.6
99.08062	1.1
105.07040	16.9
106.07321	1.1
107.04919	1.2
107.08596	9.8
108.08878	2.0
109.02863	5.5
109.06529	6.2
109.10165	10.8
110.03250	1.0
111.04441	6.6
111.08057	2.4
112.04736	1.1
113.05989	1.1
115.03922	10.7
117.07032	5.9
119.08584	18.8
120.08894	2.7
121.06481	4.4
121.10156	7.7
123.04422	1.8
123.08063	3.8
123.11682	1.9
125.05997	2.7
125.09624	1.2
127.03923	11.0
128.04257	1.8
129.07004	4.0
131.08568	7.4
133.06477	4.5
133.10132	12.6
134.10478	1.6
135.04353	1.1
135.08037	6.3
135.11691	5.2
137.05954	4.1
137.09576	1.5
137.13260	2.1
139.07520	3.3
141.01813	1.5
141.06917	1.4
143.08527	4.3
145.06465	2.5
145.09004	1.2
145.10129	8.8
147.04352	1.0
147.08067	4.3
147.11681	3.8
148.08336	1.2
149.05962	1.4
149.09598	3.2
149.13217	1.4
151.07570	1.9
151.11209	1.5
155.08546	2.2
157.10127	3.8
159.08047	3.3
159.11668	6.0
161.09621	3.8
161.13258	12.1
162.09993	1.6
163.07545	4.9
163.11163	1.9
165.09102	3.4
167.07010	1.5
169.10052	2.4
171.08031	1.0
171.11736	4.3
173.09625	2.3
173.11772	1.8
173.13235	3.3
174.13513	1.1
175.07561	1.4
175.14857	2.2
177.09070	2.9
177.12822	1.9
179.14291	5.6
180.09454	0.9
183.11745	1.4
185.13275	1.4
187.11214	1.1
187.14749	2.0
189.09081	2.7
189.16380	1.2
191.10663	1.1
191.14447	1.1
195.13806	3.0
197.13293	2.2
197.15300	1.9
199.11195	2.1
199.14723	2.0
201.16344	2.0
202.16747	1.3
207.10176	2.6
208.10516	1.1
209.13379	1.5
209.15311	1.9
211.14832	2.4
213.14827	4.3
217.16013	1.2
219.13942	1.3
221.15292	1.3
225.11180	4.1
225.14731	4.3
226.11528	3.3
227.14447	1.9
229.15828	2.3
233.15517	1.0
235.16905	1.4
237.14864	3.2
245.15375	2.4
247.16931	2.3
255.15881	2.4
257.15424	8.6
263.16394	7.9
267.12302	1.0
275.16428	16.2
281.14606	1.8
281.17459	18.5
293.17471	35.7
298.18869	1.6
311.18533	76.6
315.19443	2.0
316.19974	2.6
329.19589	31.7
422.35202	1.4
424.21719	1.0
432.15625	0.9
442.22910	1.8
473.24167	1.9
547.24109	1.1
616.39929	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51789	0.6
53.03930	1.2
55.01870	1.3
55.05499	2.2
57.07060	0.6
62.06607	0.6
65.03931	1.0
65.22747	0.7
67.05506	22.6
69.03430	5.6
69.07062	2.9
70.15298	2.7
71.04982	1.4
72.48171	0.6
79.05493	4.1
81.03417	1.9
81.07061	12.1
83.08616	1.4
85.02894	3.0
85.06573	1.3
87.00828	1.7
91.05472	5.8
93.07047	8.1
95.04987	1.9
95.08611	17.9
97.02896	14.1
97.06532	5.8
98.21489	1.1
99.04465	1.3
105.01870	2.0
105.07034	13.1
107.04976	1.7
107.08604	12.6
109.02883	3.2
109.06551	4.8
109.10161	100.0
111.04446	6.4
111.08096	2.5
113.06018	2.3
117.07029	1.9
119.04908	1.4
119.08589	33.5
120.08881	0.9
121.06549	3.2
121.10165	7.6
123.08061	5.0
123.11705	4.3
125.09565	1.4
127.03938	6.2
131.08585	2.8
133.06497	8.9
133.10129	19.0
135.08047	2.7
135.11694	3.1
137.05951	1.6
137.09651	4.3
137.13261	1.4
138.06400	0.7
139.07605	1.3
142.07803	1.2
143.08568	3.7
145.05025	1.3
145.06496	1.1
145.10182	3.9
146.07407	0.8
147.04401	3.5
147.08051	15.2
147.11691	1.6
149.06062	0.9
149.09647	2.1
151.11166	2.8
156.09290	0.9
157.10156	2.9
159.08124	1.1
159.11728	4.3
160.24120	0.7
161.09627	13.6
163.07582	1.0
163.11217	4.3
165.09137	17.2
171.11723	2.7
173.09636	1.7
173.13324	2.5
175.11279	1.3
175.14819	1.0
177.09222	1.2
179.10690	12.5
179.22206	0.7
185.09634	1.7
187.11166	4.0
187.14818	1.2
189.09102	12.5
189.12781	0.8
191.10820	1.3
195.11621	0.7
197.13284	0.8
199.11169	2.0
199.14888	1.2
201.12827	1.4
207.10175	19.5
207.12054	1.2
209.11758	3.1
213.03947	1.6
213.12677	0.8
217.12257	0.8
219.13828	4.7
223.17020	1.8
225.11226	62.8
231.05025	2.5
231.10085	1.3
237.16492	1.1
241.12370	1.1
251.17896	1.7
255.17503	2.8
257.99640	0.8
269.19006	2.4
271.17032	0.8
273.15698	0.6
273.18610	3.0
279.17453	2.0
287.16891	1.1
287.20053	3.6
297.18478	10.9
315.19571	31.8
331.19061	1.7
333.20615	27.9
423.21588	1.3
441.22476	0.7
451.14508	0.7
513.88641	0.7
545.23926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01866	3.1
55.05502	2.7
57.03435	1.8
59.05005	1.7
65.31750	1.3
67.05167	2.5
67.05502	25.3
69.03429	11.2
69.07066	4.5
71.00891	3.6
71.05003	3.6
73.02917	2.1
79.05478	6.4
81.03416	9.6
81.04515	2.2
81.07059	16.1
83.04988	1.6
83.08630	1.9
85.02906	11.5
87.00827	6.7
91.05487	10.5
93.07053	11.8
95.04967	2.4
95.08608	23.6
97.02892	23.5
97.06541	9.5
99.04449	4.9
99.08057	1.7
105.01855	3.5
105.07040	18.5
107.04967	2.7
107.08586	19.5
109.02878	13.0
109.06496	5.7
109.10160	100.0
110.57131	1.3
111.04430	8.8
111.08038	2.4
113.06030	2.5
117.06995	1.8
119.08584	37.1
121.02943	1.7
121.06523	3.8
121.10154	10.9
122.07130	6.0
123.08067	6.5
123.11704	5.4
127.03923	14.9
129.06992	2.4
131.08539	5.2
133.06476	11.4
133.10133	25.0
135.08057	2.4
135.11697	2.1
137.05949	2.4
137.09651	4.4
140.08192	2.1
141.22478	1.3
142.07806	1.6
143.08562	5.7
145.05008	3.0
145.06073	3.3
145.10188	8.0
147.08067	17.1
147.11646	2.1
149.09627	1.9
151.11180	4.0
157.10106	4.2
159.08003	1.7
159.11702	5.8
161.09641	12.0
163.07607	1.5
163.11169	3.0
165.09135	21.9
171.08041	2.1
171.11644	2.2
173.09656	2.2
173.13249	4.6
175.14864	1.9
179.10660	13.5
185.09602	2.8
187.11198	3.3
187.14825	1.8
189.09094	12.8
199.11214	2.5
199.14856	2.3
201.12750	2.8
203.10638	2.0
205.12340	1.5
207.10175	21.2
209.11667	3.2
213.03981	1.6
217.12206	1.6
217.15741	1.8
219.13835	5.1
223.17000	2.9
225.11220	75.7
231.04999	4.4
241.12283	1.7
255.17395	2.7
269.18961	3.4
273.18433	2.7
279.17200	2.3
282.24042	1.6
287.16562	1.6
287.20065	3.4
297.18478	13.6
315.19568	41.2
331.19119	2.4
333.20602	46.5
363.72440	1.7
423.21695	4.7
545.23590	3.3
592.96979	1.5
616.33160	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	616.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
55.05509	4.9
57.42124	3.6
67.05517	18.5
69.03448	8.9
69.07076	4.5
69.60242	3.1
69.75246	3.4
70.81662	3.6
70.82021	11.4
73.28284	3.0
74.33109	3.2
79.05488	6.0
81.03420	12.8
81.07077	16.6
85.02895	6.7
87.00826	3.4
91.05494	8.2
93.07053	12.3
95.08626	23.0
97.02889	24.7
97.06518	10.6
105.07030	14.7
107.08592	17.1
109.02888	17.5
109.06541	5.1
109.10163	100.0
111.04418	9.3
115.57372	3.3
117.07044	3.9
119.08569	38.1
121.06499	3.8
121.10154	12.2
123.04438	4.1
123.08065	5.3
123.11677	3.5
124.03957	13.1
125.09677	3.4
127.03938	18.1
131.08554	3.6
133.06509	12.5
133.10123	20.7
134.10435	3.7
135.08043	3.7
135.11681	6.5
137.09630	4.5
143.08638	4.3
145.10138	8.3
147.04480	8.3
147.08084	14.6
147.11668	3.9
157.10110	5.1
159.11714	4.1
161.09621	13.8
163.11156	7.3
165.09109	22.1
171.11714	5.6
173.09651	4.7
173.13275	5.9
179.10684	12.0
187.11247	8.1
189.09171	10.4
191.72363	3.6
199.11142	7.6
207.10205	14.0
219.13744	6.9
225.11241	74.6
227.17984	4.0
250.07124	6.8
255.17484	5.0
269.18915	5.5
273.18536	5.3
279.17444	4.6
289.61227	3.5
297.18536	12.8
315.19595	46.4
333.20645	46.8
351.21494	4.4
386.13458	3.6
603.89960	3.8
642.39142	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	616.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61099	2.5
53.03949	7.3
53.10093	2.8
54.36908	2.2
55.01873	4.3
55.05522	2.1
58.00094	2.7
65.03913	2.7
67.05501	18.3
69.03437	11.2
69.07094	2.3
70.80885	5.9
71.05000	4.5
73.02943	2.4
79.05493	6.5
81.03411	12.9
81.07089	12.7
85.02905	10.6
87.00832	9.6
91.05502	11.8
93.07050	11.5
95.08610	25.1
97.02897	32.1
97.06559	9.2
99.04482	2.8
105.01903	8.2
105.07043	16.7
107.04992	3.4
107.08605	19.7
109.02877	24.9
109.06542	7.8
109.10165	100.0
111.04438	9.2
113.05984	2.9
118.08681	4.5
119.04948	11.2
119.08588	34.5
121.06525	2.9
121.10152	10.4
123.08119	8.4
123.11683	5.6
127.03945	20.4
131.08604	2.9
133.06514	17.8
133.10123	28.1
135.08075	6.8
135.11710	5.7
135.82536	2.5
137.06062	5.1
143.08540	6.8
145.04971	4.0
145.06549	2.6
145.10126	5.4
147.04427	38.1
147.08041	16.0
151.11206	3.0
157.10185	4.9
159.11754	6.7
161.09637	14.7
163.11180	4.2
165.09111	22.5
171.07948	2.9
171.11768	3.6
173.09608	2.9
173.13310	5.3
179.10675	12.7
185.09612	6.2
187.11244	5.8
189.09154	16.3
199.11316	3.0
199.14917	5.0
201.12830	3.5
207.10216	25.1
209.11746	3.1
213.12846	3.2
219.13820	5.2
223.16965	2.8
225.11220	83.0
225.13344	4.6
231.05000	6.0
237.16731	2.8
251.18030	2.8
255.17494	3.9
269.19171	4.5
273.18405	2.8
279.17380	3.8
281.00189	2.6
287.20013	5.5
297.18524	13.9
315.19589	46.2
331.19101	5.3
333.20602	56.4
333.24243	4.5
423.21710	3.6
441.23129	3.0
526.14099	2.8
545.24078	2.8
588.29565	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01873	3.1
57.03446	0.6
61.02927	0.7
61.41747	0.3
65.03927	2.5
67.05505	0.7
69.03432	1.2
70.06611	0.3
70.94467	0.7
71.05002	0.6
74.91853	0.3
75.04485	3.9
76.07644	0.8
78.04682	1.7
79.05499	2.6
81.03416	1.0
81.07053	0.5
85.02906	5.8
86.09719	0.5
89.03924	1.2
89.06036	1.0
91.05479	10.1
93.02809	0.7
93.03407	11.7
93.07041	6.7
95.04977	4.5
97.02894	1.3
97.06524	2.0
103.05466	8.0
105.03391	0.4
105.04513	0.6
105.07036	10.6
106.04177	26.6
107.05004	2.1
109.02864	0.4
109.06526	0.8
111.04436	0.7
115.05460	2.5
117.03380	1.2
118.04162	1.4
119.04931	1.4
120.05735	0.5
121.06506	28.3
122.07346	0.5
123.04435	1.3
123.08075	1.3
124.05190	0.6
125.05991	9.4
127.03920	1.0
131.04924	3.3
131.05904	0.6
133.02805	0.6
133.06490	10.6
134.03639	4.6
135.04431	1.7
135.08105	0.4
137.05984	4.4
138.06812	1.7
139.07545	3.3
143.06070	0.7
145.02846	1.5
145.04993	0.6
147.04385	1.1
148.05171	2.9
149.05984	51.6
150.06615	0.4
151.07520	2.5
152.08299	0.5
153.05482	1.9
153.09097	12.2
161.05980	21.8
162.03279	0.4
162.07680	0.7
163.03943	1.7
163.07542	4.3
165.05525	1.0
166.06245	1.4
167.07054	2.5
173.05949	0.6
177.05473	25.0
181.08600	22.4
191.07034	22.9
192.10675	0.3
193.08614	22.6
195.06549	0.6
209.08090	100.0
210.08469	1.5
339.12155	0.6
369.13156	1.0
371.13626	0.4
383.14783	0.8
387.14383	2.4
389.15955	0.4
391.17596	0.4
419.17014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.01874	3.1
57.03429	0.8
61.02948	1.0
65.03931	3.2
67.05502	0.9
67.97585	0.4
69.03426	2.2
70.06603	0.7
70.66377	1.2
70.66738	0.5
71.04998	0.5
72.08183	0.5
75.04479	4.6
77.03922	0.5
78.04706	3.0
79.05511	3.3
81.03430	1.3
81.07076	0.6
85.02911	6.9
86.09750	0.6
89.03935	1.8
89.06041	1.3
91.03956	0.4
91.05487	16.9
93.03412	13.7
93.07047	9.2
95.04972	6.7
97.02892	2.6
97.06506	3.0
99.04468	0.9
103.05478	9.1
105.04501	0.8
105.07033	12.1
106.04176	30.6
107.04987	2.5
109.06536	0.9
110.03648	0.6
111.04489	0.5
115.05443	2.3
117.03400	1.3
118.04173	1.5
119.04951	1.3
121.06512	40.4
122.07286	0.7
123.04469	1.6
123.08044	1.0
124.05210	0.8
125.05992	8.7
127.03928	1.5
131.04947	2.5
131.05841	0.6
133.02853	0.6
133.06497	10.6
134.03638	4.9
135.04408	1.9
135.08026	0.7
137.05977	4.5
138.06772	1.6
139.07564	2.9
141.28349	0.5
145.02881	1.8
145.05003	1.7
145.06479	0.5
147.04445	1.6
148.05185	3.0
149.05989	57.9
151.03949	0.8
151.07579	2.5
152.08353	0.8
153.05556	2.3
153.07130	0.5
153.09113	13.1
161.05992	19.0
163.03934	1.0
163.07532	3.7
165.05496	1.0
165.09180	0.4
166.06221	2.0
167.07059	8.7
173.06113	0.5
177.05478	26.6
178.06097	0.6
179.07036	1.1
180.07782	0.4
181.08598	25.1
191.07050	7.0
193.08614	29.5
205.08638	0.8
209.08099	100.0
210.08617	1.0
223.09631	0.9
321.10992	0.7
369.13324	1.2
371.13678	1.3
383.14883	1.2
387.14182	1.1
389.15820	0.4
401.15784	0.8
403.17303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
53.24528	0.3
55.05504	0.6
56.05032	0.6
57.03439	0.4
61.02920	0.4
68.05022	1.0
69.03420	1.3
69.58056	0.7
69.58473	2.0
70.06591	6.2
72.08138	0.4
79.05480	1.2
79.90916	0.3
80.05016	2.9
81.03411	0.5
81.07048	1.0
82.06577	2.1
82.31189	0.3
85.02886	1.8
86.09688	0.5
91.05470	1.3
91.17831	0.3
93.07044	0.4
94.06588	0.5
95.04985	0.4
96.08144	0.5
97.02886	1.0
103.05481	0.8
104.54056	0.3
105.07031	2.2
106.06554	3.7
107.04968	0.5
108.08106	4.1
109.06516	1.1
114.05521	0.7
115.05448	0.9
116.07112	0.7
117.03381	0.5
119.04943	0.5
119.08607	0.4
121.06513	0.8
122.03703	0.3
123.04386	0.7
127.03873	1.0
128.06194	0.4
130.04150	0.5
131.04936	0.9
133.06488	2.1
135.04395	0.4
137.05975	14.2
141.06941	0.5
143.04895	0.3
143.08463	0.4
145.06467	0.6
147.04401	1.9
147.08046	0.6
149.05998	2.1
151.03931	1.1
152.05727	0.7
152.07053	1.8
153.01767	0.6
161.05991	7.7
162.06714	1.7
163.03902	2.4
163.07568	0.6
165.05608	0.4
165.06944	0.3
167.07088	0.6
169.06529	0.5
171.08043	1.7
173.06027	0.9
174.06816	0.5
175.07533	1.0
177.05507	1.2
184.05194	0.5
185.06021	0.8
185.13304	0.3
187.07536	0.8
189.07051	0.5
190.07744	0.5
191.08636	1.0
194.07263	0.4
199.07529	3.8
201.09212	0.4
202.07870	1.1
203.08514	2.6
205.06464	0.5
207.08069	0.4
209.08028	0.9
209.13449	0.3
211.07663	0.4
213.04265	0.3
215.08568	1.3
218.07364	0.8
219.07993	2.9
220.08856	1.0
221.09731	0.4
222.06828	0.6
225.09090	0.4
229.06532	0.8
230.07339	0.4
230.11900	0.4
231.08028	4.4
232.08835	1.2
233.09575	0.9
234.06810	0.6
235.07544	1.2
235.11191	0.5
236.08456	0.4
237.09177	1.2
239.06937	0.4
243.08121	1.1
245.09543	0.5
246.06789	1.2
247.07510	3.8
248.08429	2.5
249.09081	1.6
251.10762	1.3
251.17896	0.4
253.08624	1.1
257.06107	1.0
258.06793	0.4
259.07498	4.2
260.08365	1.3
261.09073	3.5
262.06406	0.4
262.09900	0.8
263.07104	0.9
263.10736	3.2
264.07803	0.8
265.08557	3.9
269.19220	1.1
270.08914	0.4
271.07596	1.3
272.08392	0.7
273.09155	1.2
274.06201	0.7
275.07065	2.4
275.10541	0.7
276.07770	3.0
277.08533	3.5
278.09366	1.0
279.10147	1.0
281.08194	0.5
287.19962	0.6
288.07565	0.4
289.08569	9.8
290.09268	2.7
291.06628	1.2
291.10095	9.0
292.10828	2.3
293.08099	4.9
293.11417	0.6
294.08859	0.9
295.10052	0.5
295.13287	3.6
296.10422	0.7
297.11240	2.6
297.18481	0.9
303.10226	1.1
305.07974	0.4
305.11676	0.4
306.08835	2.9
307.09653	2.2
308.10382	10.9
309.11026	1.9
315.19553	1.3
321.11191	9.6
322.11911	0.5
323.12897	2.6
334.11261	0.4
346.14380	0.6
348.12305	1.1
349.13330	0.4
360.16074	0.6
362.13934	1.2
376.15421	1.4
377.16135	1.8
381.15073	0.4
390.16653	0.8
392.18576	1.5
421.15253	1.0
424.17560	5.3
436.17538	30.9
437.17834	0.5
454.18591	25.7
455.19260	0.5
616.23865	100.0
617.09332	2.2
617.24036	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
56.05030	0.5
56.96578	0.3
57.03429	0.5
68.05029	1.0
69.03431	1.2
69.83880	1.8
70.06593	6.0
72.48542	0.3
79.05491	0.8
80.05016	2.7
81.03414	0.4
81.07073	0.5
82.06584	2.2
85.02914	1.1
88.69453	0.3
91.05486	1.4
93.07077	0.3
95.04958	0.6
97.02902	1.1
103.05494	0.5
105.07034	1.7
106.06556	5.0
107.05001	0.3
108.08113	5.1
108.08772	0.5
109.06532	0.8
115.05477	0.8
116.07082	0.4
117.03379	0.5
119.04908	0.3
122.03631	0.5
123.04414	0.4
127.03929	1.0
131.04933	1.3
133.05176	0.3
133.06490	1.9
137.05983	12.6
141.07028	0.5
145.02864	0.3
145.06479	0.5
146.03630	0.6
147.04401	1.7
148.05182	0.4
149.05940	2.1
151.03920	0.5
152.07101	1.9
153.01797	0.3
155.04924	0.3
160.07541	0.3
161.05988	6.0
161.07243	0.5
162.06715	1.9
163.03915	1.8
163.07635	0.4
167.07088	0.5
169.06639	0.4
171.08119	1.0
173.06081	0.8
175.07582	1.1
177.05528	0.9
181.06500	0.4
185.06012	0.8
187.07602	1.0
189.07005	0.5
191.08618	1.0
194.07191	0.5
199.07556	3.3
200.10820	0.5
202.07892	0.9
203.08633	2.5
205.06471	0.6
207.08080	0.5
209.08081	0.8
210.06760	0.4
211.07632	0.4
212.03261	0.3
213.09250	0.3
214.08714	0.3
215.08672	1.3
217.06561	0.5
218.07304	0.8
219.08031	2.7
220.08878	1.1
221.09785	0.5
222.06798	0.5
223.07649	0.3
225.09108	0.5
229.06577	0.6
230.07262	0.4
231.08066	3.7
232.06795	0.3
232.08910	1.4
233.09637	0.9
234.06888	0.5
235.07652	0.9
235.11162	0.6
237.09212	1.7
239.07092	0.4
243.08078	1.1
244.08917	0.5
245.06122	0.4
245.09705	0.7
246.06851	1.3
247.07584	3.1
248.08321	2.4
249.09151	1.3
251.07031	0.9
251.10643	0.5
253.08632	1.0
254.11945	0.4
257.06024	1.0
258.06863	0.9
259.07532	4.1
260.08417	1.3
261.09088	4.2
262.09900	0.9
263.07153	1.1
263.10757	3.9
264.07791	0.7
265.08591	4.3
267.10126	0.5
270.08850	0.4
271.07611	1.1
272.08408	0.8
273.09143	0.9
274.06378	0.7
274.10220	0.3
275.07104	2.6
275.10461	0.6
276.07913	2.5
277.08636	3.3
278.09399	1.3
278.12137	0.3
279.06894	0.3
279.10220	0.9
280.10999	0.7
288.12360	0.7
289.08591	10.6
290.09351	3.2
291.06696	1.3
291.10114	9.1
292.07605	0.7
292.10947	2.4
293.08124	5.6
293.11523	0.5
294.08926	0.8
295.13272	2.9
296.10559	1.1
297.11230	2.6
303.05228	0.5
303.10236	0.9
305.08047	0.7
305.11478	0.3
306.08875	2.8
307.09692	2.1
308.10403	10.5
309.11060	1.6
321.11230	10.2
322.11661	0.5
323.12698	2.8
332.12875	0.4
335.12750	0.4
344.13052	0.7
346.14407	0.7
348.12317	1.1
362.13971	1.7
364.15314	0.4
376.15707	1.4
377.16345	2.7
390.17191	0.7
392.18512	2.2
421.15247	1.2
424.17593	4.6
436.17566	30.5
437.17975	1.3
454.18625	25.7
455.18768	0.8
576.33081	0.3
616.23889	100.0
617.09814	1.5
617.24103	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	616.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
60.04528	0.3
65.03934	1.3
67.05507	0.3
71.61418	0.2
75.97675	0.2
79.05491	0.2
81.03419	0.3
81.07068	0.3
84.61757	0.2
85.02904	0.4
86.09718	0.2
87.62788	0.2
89.31012	0.2
91.05486	9.9
92.81895	0.2
93.07030	0.3
95.04986	0.4
95.08618	0.4
97.02923	0.5
100.45897	0.2
102.82571	0.1
103.79578	0.2
105.07037	0.6
107.08585	0.4
109.02832	0.3
109.10152	0.4
111.04485	0.2
119.04948	25.6
119.08583	0.3
120.05275	0.4
121.02912	0.9
121.10140	0.3
127.03910	0.6
131.04898	0.2
133.06497	0.2
133.10141	0.4
137.06007	0.2
142.33881	0.2
147.04414	100.0
148.04752	1.3
163.07474	0.2
181.04808	0.2
207.10181	0.2
225.11162	0.2
293.79767	0.2
367.21494	0.2
373.15323	0.2
397.79816	0.2
408.85532	0.2
440.21664	0.2
572.27429	0.3
580.38385	0.3
616.26611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23840	0.1
53.03945	0.3
55.01894	0.1
55.05515	0.2
56.96571	0.1
63.02398	0.5
65.03932	0.3
67.05506	0.4
68.99815	0.2
69.03435	0.5
69.07049	0.2
70.06572	0.1
75.76612	0.1
79.05491	1.4
81.03433	0.4
81.07063	0.6
83.05009	0.2
83.08600	0.2
85.02914	0.5
89.03918	6.8
89.06023	0.2
91.05490	0.5
93.07056	0.6
95.04967	0.5
95.08627	0.5
97.02881	0.7
100.11298	0.1
102.32029	0.1
103.05482	0.9
105.01861	0.2
105.07046	0.6
107.04963	2.1
107.08595	0.6
108.08987	0.2
108.98936	0.1
109.02879	0.7
109.06540	0.2
109.10184	0.4
111.04456	0.3
113.02392	0.3
116.98656	0.2
117.03382	6.9
119.04931	0.2
119.08630	0.7
120.08965	0.3
121.02862	1.2
121.06461	0.2
121.10157	0.4
123.04483	0.2
123.08049	0.2
123.11740	0.2
125.09612	0.2
127.03889	0.8
131.04938	2.8
131.08577	0.3
133.06490	0.2
133.10127	0.3
135.04420	18.8
135.08006	0.3
137.02693	0.1
137.05988	0.3
137.09645	0.1
143.08533	0.2
145.02850	12.3
145.10101	0.3
147.04405	0.2
147.08011	0.3
147.11778	0.3
149.05949	0.2
157.10091	0.2
158.06030	0.2
159.11653	0.2
161.09677	0.2
161.13263	0.1
163.03906	100.0
164.04251	0.6
165.09097	0.3
167.07051	0.3
177.05508	0.6
185.04454	0.4
186.05519	0.5
187.14691	0.1
187.95923	0.1
189.09120	0.2
207.10147	0.2
225.11183	0.5
233.25314	0.1
236.20229	0.1
289.05594	0.2
297.18390	0.2
303.19226	0.2
315.19617	0.3
331.19135	0.2
332.19370	0.2
333.20096	0.2
349.20032	0.2
350.20474	0.2
419.09070	0.2
598.38324	0.2
615.42303	0.5
616.43683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01868	3.3
55.05509	34.5
57.03428	5.2
57.07071	5.5
59.04995	2.7
67.05503	87.1
69.03423	4.0
69.07068	42.2
71.04982	15.0
71.59878	5.0
79.05060	3.7
79.05492	52.5
81.07056	100.0
83.04957	8.5
83.08627	19.8
85.06535	11.7
88.65415	2.8
91.05486	35.1
93.07042	73.1
95.04977	13.2
95.08605	68.1
97.06513	10.6
97.10166	16.6
99.08081	14.9
105.07030	24.5
107.08588	49.5
109.06509	7.3
109.10155	28.1
111.08054	5.2
111.11700	5.2
117.07003	7.8
119.08567	28.0
121.10143	79.7
123.08004	3.9
123.11686	9.9
125.09586	10.4
129.07008	4.7
131.08585	18.4
133.10107	29.9
135.11688	48.7
137.09624	7.5
137.13184	3.1
139.11159	12.9
143.08546	6.3
145.10115	14.7
147.11726	16.3
149.09552	5.6
149.13252	17.0
151.11194	6.5
157.10097	4.3
159.11710	15.0
161.13240	10.1
163.11203	8.4
163.14819	4.8
165.12717	4.0
171.11742	7.0
173.11797	5.9
173.13277	4.8
173.20738	2.8
175.14844	5.5
177.12686	4.1
181.12282	3.2
185.13301	5.8
187.13306	3.7
189.11342	3.8
203.12686	6.4
210.10710	2.6
217.19521	10.1
221.15436	4.1
235.20531	11.3
241.19446	10.2
253.21602	6.0
259.20621	26.7
277.21613	81.9
295.22699	55.9
296.14172	2.7
313.23898	4.0
316.26385	3.3
407.31351	3.2
419.31540	4.5
493.40466	6.3
511.41425	28.7
529.42493	37.6
543.44061	6.1
547.43311	18.3
561.45221	13.8
579.46472	6.7
615.40417	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	615.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	12.2
57.07065	7.0
59.05009	4.7
66.11806	2.4
67.05511	17.3
69.03444	15.6
69.07081	13.7
70.06586	3.7
71.60495	4.0
71.60875	3.5
79.05499	22.0
81.07064	29.1
83.04988	10.8
83.08613	9.3
85.06525	3.6
88.07630	3.4
91.05491	23.3
93.07049	42.0
95.04977	19.8
95.08609	24.2
97.06536	11.0
102.87738	2.6
103.05466	4.3
105.07034	40.3
107.08600	32.8
108.05727	2.9
109.06503	15.6
109.10158	14.9
111.08146	3.7
113.09657	5.9
117.07021	9.5
119.08577	39.2
121.06499	10.6
121.10146	58.3
123.08070	23.9
123.11740	7.1
124.53401	2.6
125.05983	5.4
125.09650	9.0
128.06273	2.9
129.07005	10.4
130.07797	3.9
131.08586	21.6
133.06502	8.0
133.10132	20.3
135.08035	17.2
135.11707	7.2
137.09599	8.6
139.11209	7.1
141.06992	5.5
142.07811	6.4
143.08559	22.5
145.10138	26.9
147.08060	16.2
147.11699	10.5
149.02324	5.0
149.09598	22.7
151.07570	16.9
153.06937	2.7
155.08580	8.8
156.09317	9.1
157.10130	20.7
159.08072	12.3
159.11716	12.0
161.09599	14.0
161.13281	5.5
163.07620	2.7
163.11185	15.2
165.07120	2.8
165.09094	15.6
166.07784	2.7
167.08585	4.5
167.10687	72.8
169.10071	12.6
170.10994	4.6
171.08025	4.8
171.11652	12.9
173.09660	9.8
173.13293	10.3
175.11261	5.4
175.14877	6.0
177.12865	3.1
179.08611	6.0
180.09413	2.7
181.10130	10.7
181.12213	21.7
182.10957	6.0
183.08116	2.8
183.11681	11.4
185.09662	13.5
185.13281	9.2
186.10434	4.3
187.11212	9.8
187.14838	5.2
189.12758	15.2
191.10818	2.8
191.14267	6.9
193.04999	5.8
193.10158	8.3
194.05284	5.3
194.10979	3.0
195.11710	13.3
196.12483	4.1
197.09634	6.1
197.13303	9.1
199.11247	13.0
201.12807	3.0
201.16441	2.7
203.14294	11.0
204.09386	2.6
206.10913	3.1
207.11670	8.3
207.13815	9.6
209.13301	6.5
209.15378	6.2
211.11137	6.2
211.14847	5.8
213.12747	8.7
215.14352	19.9
217.10118	2.9
219.11792	5.7
221.13255	8.2
221.15398	33.3
223.11174	5.6
223.14845	4.4
225.12761	4.9
227.14264	6.4
231.11632	3.2
233.13286	5.6
233.15363	100.0
235.14824	7.4
235.16971	4.3
237.12791	5.2
237.16426	3.8
241.12346	4.7
244.12486	2.7
245.13199	5.2
247.14836	3.8
247.17018	7.0
249.12819	3.5
251.14377	3.6
251.17917	3.2
253.15860	4.1
256.26468	4.3
257.26776	5.6
260.15677	3.1
261.16452	3.5
263.14206	2.7
267.17465	2.8
273.16074	3.3
273.18701	5.0
281.18958	3.6
293.18927	3.8
295.17160	4.2
311.20093	11.4
358.16367	6.6
363.23169	3.7
379.22772	3.6
381.24274	11.2
386.09393	5.7
389.24759	5.2
393.24362	3.6
407.25876	10.8
435.28976	2.7
467.31451	3.5
541.32446	4.0
579.38306	7.5
597.39508	22.7
615.41119	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.01864	6.9
55.05506	16.2
57.03436	6.3
65.03933	4.2
67.05508	32.8
69.03448	24.1
69.07071	18.7
69.24252	4.3
71.04986	12.1
71.60127	6.8
71.77208	3.6
73.02920	6.5
73.06536	3.5
79.05486	25.5
81.03417	27.2
81.07063	36.8
83.04995	24.2
83.08634	4.4
85.02904	31.7
85.06535	6.7
91.05459	30.9
93.07051	52.6
95.04953	14.2
95.08610	50.7
97.02886	42.5
97.06539	22.5
99.04433	10.8
103.05460	6.3
105.07031	69.2
107.04955	11.2
107.08598	58.2
109.02882	39.4
109.06524	14.4
109.09547	4.6
109.10166	46.2
111.04443	51.9
111.08082	5.1
111.56664	3.8
113.06009	3.8
117.07017	13.8
119.04903	5.3
119.07792	7.9
119.08584	88.7
121.02831	5.6
121.06506	27.5
121.10139	35.8
123.04465	4.1
123.08052	11.3
123.11671	7.5
127.03916	100.0
128.06203	6.5
129.05455	8.2
129.06993	7.5
131.08598	21.6
133.06509	52.9
133.10139	61.5
135.04298	4.5
135.08028	35.6
135.11685	9.9
137.05984	13.2
137.09607	10.7
142.07846	5.8
143.08577	17.4
145.04976	10.3
145.06439	6.1
145.10143	31.4
147.08052	30.8
147.11670	11.0
149.09613	16.2
151.11255	5.6
156.09367	10.6
157.06491	3.7
157.10091	22.1
159.08057	7.0
159.11722	20.3
161.09622	42.0
163.03931	10.8
163.11183	16.4
165.06992	5.7
165.09103	35.0
167.07050	23.1
169.10194	8.7
171.08090	7.4
171.11653	20.8
173.09621	10.9
173.13304	9.2
175.11194	10.2
175.14862	4.9
179.10670	19.8
181.10101	13.8
183.11705	8.0
185.09610	27.9
185.13243	10.9
187.11232	7.6
187.14789	6.7
189.09116	19.8
189.12819	7.3
189.16399	4.7
191.10677	9.1
193.08598	4.3
195.11790	5.7
197.09557	5.2
197.13217	6.2
199.09212	5.3
199.11148	47.1
199.14819	12.0
201.12740	6.0
203.10719	7.0
203.14261	4.5
207.10211	23.2
209.13229	7.3
211.14873	5.1
213.12715	5.8
217.12189	21.2
217.15907	4.9
219.13794	9.3
225.11195	69.0
227.17850	6.6
229.08633	7.7
233.15494	3.9
235.13164	5.6
241.19403	4.6
251.18112	5.6
259.09500	7.3
259.13431	5.0
267.12137	5.8
269.18979	7.2
273.18570	6.7
279.17523	6.8
287.20139	9.6
297.18536	34.9
313.17761	6.5
315.19556	60.1
331.19070	8.2
333.20520	6.0
357.20673	10.5
369.20679	4.0
375.21411	5.0
389.47131	4.2
405.20917	5.7
423.21600	11.9
441.22711	30.8
459.23642	14.4
571.21399	10.9
615.20422	33.9
615.32391	8.5
616.20795	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	615.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01868	4.0
55.05495	4.1
56.96581	1.4
57.03417	1.6
58.54303	1.3
63.54765	1.4
65.03939	6.6
67.05498	10.9
69.03424	6.8
69.07059	4.3
69.30844	14.4
69.79009	1.2
69.87415	1.1
70.06593	2.6
71.05007	2.8
79.05480	6.8
80.18902	1.1
81.03422	12.8
81.07050	10.9
83.04981	5.4
83.08614	1.9
85.02896	3.6
85.06560	1.5
86.09698	1.5
89.03903	3.6
91.05477	11.5
93.03375	2.1
93.07045	14.9
95.04974	5.3
95.08608	14.5
97.02906	14.3
97.06534	4.8
99.04521	2.4
103.05453	3.3
105.07034	29.0
107.04960	7.3
107.08594	17.8
109.02874	17.3
109.06529	4.6
109.10155	14.8
111.04449	18.8
111.08081	2.9
115.03941	1.6
115.05485	1.5
117.03378	3.5
117.07053	3.9
119.04916	2.1
119.08577	28.4
121.02866	100.0
121.06517	4.4
121.10127	10.2
123.04449	3.2
123.08070	5.2
123.11693	3.9
125.06021	1.8
127.03918	35.8
128.04260	1.8
128.06194	2.2
129.06982	4.7
130.07767	1.3
131.04938	5.8
131.08569	5.9
133.06493	18.7
133.10133	17.8
135.04419	13.2
135.08032	10.9
135.11687	4.8
137.05977	5.4
137.09584	2.5
142.07802	1.6
143.08568	8.2
145.02866	9.1
145.04996	2.7
145.06439	2.2
145.10120	9.8
147.04391	4.3
147.07980	9.1
147.11638	3.2
148.04831	1.4
149.06018	2.7
149.09612	5.0
151.11150	1.6
156.09340	2.1
157.10083	7.0
159.08034	1.8
159.11635	8.0
161.09613	11.8
163.03900	70.1
163.11150	8.2
165.09074	10.2
166.07768	1.8
167.07088	9.8
169.10106	3.7
171.08052	2.2
171.11691	7.2
173.09526	2.6
173.13310	3.1
175.07623	2.3
175.11203	2.7
177.05463	4.0
179.10678	5.8
181.04996	7.4
181.10121	3.1
183.11867	2.2
185.09596	8.3
185.13213	3.9
187.07565	1.7
187.11224	3.3
189.09157	6.4
189.12741	2.2
191.10727	2.9
195.11684	1.6
197.13234	1.7
199.11186	15.3
199.14821	2.3
203.10785	2.1
207.10138	10.1
207.11884	1.6
209.08118	4.4
209.13466	1.6
211.14766	1.7
213.12752	2.2
217.12198	8.1
219.13786	1.5
223.14641	1.7
225.11227	22.0
235.13332	1.8
237.16313	1.7
251.18086	2.2
255.17451	1.5
259.09784	1.5
259.13470	1.7
265.07074	1.8
267.12308	4.3
269.19055	3.2
277.16229	1.5
279.17468	2.0
286.18988	1.5
287.16464	1.9
287.20032	2.6
295.16846	2.2
297.18475	9.3
313.17953	2.8
315.19568	18.7
331.18951	3.5
333.13367	1.9
333.20404	2.1
349.20172	1.5
350.20288	2.2
357.20447	3.8
360.61896	1.3
389.15854	9.9
405.20645	1.7
411.21677	1.4
423.21613	3.6
441.22714	8.4
459.23703	5.7
574.55121	1.4
597.26678	2.0
614.42163	1.7
615.23468	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.5
55.01859	3.8
55.05512	9.2
55.70676	1.7
57.03433	2.7
57.07091	2.1
64.71227	1.8
65.03941	6.9
65.23192	1.7
67.01865	2.2
67.05505	21.4
69.03426	23.1
69.07073	10.9
70.24566	3.8
70.24971	6.2
71.04992	7.9
72.55741	1.8
73.02914	4.9
78.48698	1.7
79.05488	19.0
81.03423	29.0
81.07055	24.9
83.04993	10.8
83.08638	3.4
85.02906	6.7
85.06566	1.8
87.04442	2.3
91.05483	27.2
93.03405	3.5
93.07050	34.4
95.04996	9.1
95.08606	35.3
96.21204	1.8
97.02893	30.0
97.06535	12.5
99.04462	6.9
99.08089	2.4
103.05461	1.9
105.07034	49.3
107.04960	7.7
107.07882	2.6
107.08595	47.9
107.09293	3.3
109.02879	55.3
109.06500	11.6
109.10159	41.2
111.04443	37.9
111.08098	9.0
113.05991	1.7
115.05487	2.9
117.07027	8.2
119.08584	73.5
121.02868	72.6
121.06517	8.4
121.10142	25.8
123.04460	3.7
123.08068	13.0
123.11691	10.6
125.06005	3.6
127.03923	100.0
128.06200	4.6
129.07018	6.4
130.07794	3.5
131.08575	16.5
133.06496	47.1
133.07443	3.4
133.09122	2.5
133.10130	50.0
133.11086	3.8
135.08044	17.1
135.11696	9.2
137.05965	3.6
137.09622	6.9
139.03928	5.3
141.06985	3.1
142.07777	6.7
143.08562	14.9
144.09383	2.6
145.04976	7.9
145.06509	2.4
145.10104	22.1
147.08049	29.7
147.11722	8.5
149.09625	10.7
151.03886	2.5
151.07573	2.5
151.11215	5.2
155.08511	3.4
156.09302	3.5
157.06386	2.5
157.10120	17.5
159.08070	6.5
159.11697	21.7
161.09631	26.6
161.13199	5.0
163.03926	3.8
163.07558	3.4
163.11165	15.3
163.14772	2.9
165.07007	2.3
165.09122	27.4
166.07784	2.7
167.08498	1.8
169.10135	8.1
171.08104	5.2
171.11714	19.0
173.09644	5.4
173.13257	10.8
175.07553	3.0
175.11200	5.0
175.14833	4.8
179.08577	2.5
179.09158	2.3
179.10686	17.5
181.10135	8.0
183.11769	3.8
185.09572	13.8
185.13284	5.1
187.11198	9.2
187.14836	7.7
189.09087	22.6
189.16330	2.9
191.06955	2.6
191.10622	2.9
195.11699	6.2
197.09666	3.1
197.13263	4.2
199.11224	25.4
199.14905	6.5
201.12706	3.0
201.16389	4.4
203.10799	2.9
205.12215	2.3
207.10170	27.4
209.09746	2.6
209.11574	2.8
209.13313	3.9
211.14796	3.8
213.12868	3.6
215.14305	2.0
217.12233	13.8
219.13826	5.0
225.09006	3.5
225.11218	70.5
225.13365	3.5
225.16261	2.1
227.17921	5.0
231.13753	2.5
233.11707	2.3
235.13271	3.4
237.16409	4.1
241.12225	3.7
241.19501	2.7
245.11711	2.7
251.17958	5.7
255.17415	6.0
259.13232	2.6
261.16394	2.3
267.12283	10.3
269.19064	8.6
271.16959	2.6
271.20355	2.7
273.18442	4.0
279.17511	4.4
287.20120	8.4
295.16885	2.5
297.18527	28.8
313.17929	6.0
315.19565	52.4
331.19009	8.1
333.13342	7.5
333.20566	6.1
350.20297	3.6
351.14511	3.6
357.20676	4.4
369.20682	2.3
375.21561	3.7
407.33401	2.6
411.21896	2.6
423.21613	7.0
435.32300	3.3
441.22806	20.1
459.23694	10.4
477.25839	2.4
615.27869	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.01872	3.6
55.05508	7.0
57.03438	2.1
57.07074	1.8
65.03937	3.5
67.05508	17.4
69.03431	18.7
69.07073	7.8
69.85355	4.2
71.04994	5.0
73.02921	1.8
73.06565	1.0
77.03940	1.2
79.05492	16.1
81.03419	28.2
81.07059	21.0
83.01347	2.1
83.04975	8.1
83.08620	3.7
85.02927	4.5
85.81344	0.8
91.05480	21.2
93.03415	1.3
93.07047	32.9
95.04967	7.6
95.08610	33.4
97.02895	28.8
97.06524	10.3
99.04452	7.5
99.08082	1.5
103.05486	2.3
105.07030	52.0
107.04952	7.6
107.08595	45.5
108.08914	0.9
109.02881	62.0
109.06527	12.1
109.10155	35.6
111.04446	35.9
111.08089	5.3
113.06033	2.0
115.03912	1.3
115.05452	2.1
115.07603	1.5
116.06200	0.8
117.07018	6.8
119.04961	2.4
119.08584	69.4
120.08902	1.2
121.01993	1.5
121.02869	27.5
121.06498	7.9
121.10149	20.9
123.04446	5.3
123.08071	13.8
123.11708	8.9
125.05981	3.7
125.09640	1.2
127.03918	100.0
128.06239	3.5
129.05518	1.4
129.07008	3.5
130.07791	2.2
131.08560	13.1
133.06493	38.3
133.10133	47.1
135.04492	1.0
135.08041	19.7
135.08984	1.4
135.11697	9.6
137.05980	4.3
137.09599	6.1
139.03899	8.1
139.07513	2.4
141.05388	0.9
141.06978	1.6
142.07747	4.8
143.08574	15.5
144.09344	2.0
145.04970	7.7
145.06497	4.2
145.10118	19.6
146.07280	1.9
147.08047	24.3
147.11685	6.8
148.08794	1.1
149.05991	2.7
149.09602	10.5
149.13170	1.0
151.03992	1.0
151.07561	2.0
151.11220	5.3
153.07021	1.0
153.09061	1.7
155.07187	0.9
155.08572	3.2
156.09346	5.0
157.10144	17.1
158.10893	1.9
159.08118	4.4
159.11684	18.5
161.06004	2.0
161.08284	1.8
161.09630	30.3
161.13263	3.0
163.07590	2.5
163.11176	13.7
163.14816	1.5
165.06960	2.0
165.09114	27.5
166.07727	1.3
167.08571	2.2
168.09329	1.1
169.10109	7.4
170.10947	2.0
171.08040	3.5
171.11702	14.9
173.09642	5.8
173.13239	8.5
175.07597	1.2
175.11194	3.7
175.14793	1.8
177.09125	1.9
177.12775	2.6
179.10686	19.3
181.10132	7.1
181.12050	1.4
183.08145	0.8
183.11687	3.6
184.08760	1.4
184.12358	1.3
185.09619	13.4
185.13234	7.0
187.07497	0.9
187.11165	6.1
187.14845	4.3
189.09105	20.5
189.12740	2.4
189.16418	2.4
191.10709	2.9
193.10136	1.7
195.11658	5.4
196.12413	1.1
197.09575	1.5
197.13254	5.0
199.11177	25.9
199.14803	6.0
201.09129	1.2
201.12733	3.8
201.16441	2.2
203.10686	4.0
203.14302	1.5
205.12221	1.5
205.15881	1.5
207.10152	33.6
208.12468	1.3
209.09798	1.0
209.11685	2.3
209.13353	3.6
211.11169	1.4
211.14810	4.1
213.07574	2.3
213.09349	1.1
213.12759	3.4
213.16425	2.1
215.10638	2.3
215.14258	1.1
217.12234	11.3
217.15793	1.0
219.13800	8.8
220.12555	1.7
221.13316	1.4
223.11166	1.4
223.14909	1.3
225.11215	77.4
225.16254	2.7
227.10719	1.4
227.14435	1.9
227.18001	2.7
229.12306	1.3
231.13795	1.5
235.13202	1.6
237.12759	1.7
237.16400	3.9
241.12253	2.5
241.19536	1.4
245.11775	1.8
249.11218	1.0
251.17896	6.6
253.15947	2.1
253.19504	1.3
255.13818	2.3
255.17392	5.7
259.13315	2.0
261.16418	1.1
267.12256	13.5
267.17334	1.8
269.19046	8.8
273.15729	0.9
273.18402	4.9
277.15829	1.3
279.17419	5.4
285.18448	1.1
287.16721	1.6
287.20047	7.4
295.16931	2.9
297.13431	1.6
297.18494	29.7
301.17850	1.2
304.19623	1.0
313.17932	5.4
315.19562	52.9
331.19040	5.7
333.13403	10.3
333.20630	7.5
335.15063	1.0
345.25085	0.9
349.20267	2.6
350.20346	4.5
351.14508	6.7
357.20651	3.5
369.20654	1.7
375.21646	2.7
393.20676	1.0
405.20523	2.5
407.32938	1.3
411.21594	1.4
413.23141	0.9
423.21878	5.6
441.22742	17.7
459.23859	9.3
477.24759	2.0
571.34320	1.5
615.33972	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	615.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03948	4.8
53.72125	0.6
55.01857	1.6
55.05502	2.2
57.03431	1.1
65.03931	0.6
67.05503	3.4
68.15101	0.5
69.03428	9.6
69.07067	1.7
70.79994	1.3
70.80344	0.6
71.05006	2.7
71.05322	0.6
73.02928	1.0
79.05489	4.0
81.03420	17.8
81.07059	6.2
83.01343	1.4
83.04977	2.4
83.08635	0.7
85.02917	3.6
87.00837	0.7
91.05470	7.4
93.07042	9.0
95.04973	2.4
95.08607	6.3
97.02892	18.4
97.06535	1.7
99.04445	4.0
103.05475	1.1
105.07029	12.9
107.04932	1.4
107.08590	13.2
109.02880	100.0
109.06515	6.1
109.10162	4.3
111.04448	3.8
111.08081	4.4
113.05992	0.8
117.07024	1.6
119.04959	0.8
119.08583	30.9
121.06534	3.1
121.10148	10.6
123.04411	4.2
123.08058	10.0
123.11691	2.7
124.08865	1.2
125.05994	1.0
125.09630	64.9
127.03916	61.9
128.06219	1.1
129.06999	0.9
131.04912	2.3
131.08560	1.8
133.06470	2.3
133.10130	24.9
135.08076	1.4
135.11703	2.1
137.05989	2.0
137.09622	3.6
143.08575	5.2
145.04951	8.0
145.06094	0.8
145.06508	0.8
145.10127	3.1
146.07236	0.6
147.04370	1.1
147.08038	15.2
147.09229	0.9
147.11688	0.9
149.09653	1.2
151.07483	1.2
151.11174	3.8
157.10130	1.1
159.08086	0.8
159.11703	1.7
161.09625	17.1
161.13329	0.6
163.07538	0.9
163.11229	3.3
165.06956	0.8
165.09117	19.3
167.07037	5.2
169.10155	1.3
171.08051	1.3
171.11703	1.3
173.13243	1.2
175.07466	0.6
175.11148	0.9
177.09068	1.0
179.10674	13.7
185.09590	1.1
187.11282	0.9
189.09094	14.4
195.11688	0.7
199.11182	1.8
201.21513	0.6
207.10164	19.3
207.12050	1.1
217.12172	0.7
225.11211	43.7
227.14375	0.6
229.15999	0.7
233.15350	0.7
243.12199	0.7
243.17551	0.7
249.11203	0.9
250.67462	0.6
267.12296	5.2
267.17355	0.9
271.17041	1.8
285.18576	1.3
289.18057	2.3
295.16986	1.0
297.13535	1.1
297.18625	0.7
303.19724	1.3
313.18091	2.3
315.12357	1.5
315.19568	1.6
328.09402	0.7
331.19049	12.1
333.13342	4.8
349.20084	10.2
350.20367	3.3
351.14386	6.4
367.21335	1.0
387.14362	1.1
391.21127	3.5
393.20761	0.6
421.00183	0.6
421.22189	1.7
439.21234	1.6
441.22504	0.7
457.22232	9.7
475.23254	6.8
493.24350	1.0
503.04630	0.6
615.28156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.7
55.01863	3.6
55.05511	6.5
57.03429	2.0
57.07063	1.8
65.03930	2.6
67.05507	18.8
69.03429	17.5
69.07056	6.8
70.12469	5.3
71.04977	5.4
79.05486	12.1
80.58196	1.1
81.03412	29.1
81.07056	19.2
81.38755	1.4
83.04971	8.5
83.08607	3.8
83.73176	1.4
85.02896	5.7
87.04429	1.5
91.05477	18.8
93.03412	2.5
93.07034	28.8
93.96208	1.3
95.04961	6.2
95.08611	28.4
97.02887	25.0
97.06543	11.0
99.04446	7.4
99.08079	2.1
103.05480	1.5
105.07030	45.1
107.04951	6.9
107.08595	38.5
109.02876	59.0
109.06509	10.5
109.09451	1.1
109.10146	34.3
111.04438	34.5
111.08064	5.1
113.05977	2.5
113.64933	1.2
115.03935	1.5
117.07013	8.1
119.04890	1.3
119.08578	65.2
121.02883	2.0
121.06480	9.2
121.10139	22.8
121.10930	2.5
123.04402	5.1
123.08060	12.5
123.11709	10.0
125.05972	2.3
127.03915	100.0
128.06221	3.6
129.06989	9.4
130.07780	1.3
131.08569	11.5
133.06493	33.7
133.10126	49.7
135.08046	20.0
135.11703	6.8
137.05948	2.0
137.09590	6.0
139.03889	7.0
142.07748	5.0
143.08548	12.9
144.09364	1.9
145.04953	7.9
145.06480	3.0
145.10133	19.7
147.04396	1.9
147.08043	23.1
147.11668	8.6
149.06004	2.1
149.09604	8.7
151.11177	5.0
155.08560	4.7
156.09337	3.1
157.10120	13.2
159.08061	4.1
159.11696	16.6
161.09612	28.3
161.13280	3.4
163.07552	2.6
163.11182	10.4
163.14751	1.6
165.07056	2.5
165.07666	1.7
165.09103	26.8
167.07060	23.6
167.08469	2.8
169.10155	5.6
170.10858	1.8
171.08124	1.4
171.11661	12.9
173.09619	5.1
173.13243	9.5
175.11162	4.2
175.14835	2.5
177.09126	1.6
179.10672	15.5
181.10141	5.3
183.11658	5.6
185.09634	11.1
185.13235	4.1
187.11157	8.2
187.14865	3.3
189.09081	20.1
189.12657	2.9
191.10651	4.9
191.17953	3.2
195.11668	4.2
197.13252	3.7
199.11168	22.1
199.14828	7.3
201.09264	1.6
201.12857	3.0
201.16429	2.4
203.10623	4.3
203.14278	1.2
203.17955	2.9
205.12141	3.2
205.16054	1.6
207.10149	29.7
207.11987	3.0
208.12459	1.4
209.11557	1.8
209.13268	3.8
211.09554	1.6
211.14717	2.6
213.07430	2.4
213.12720	4.2
213.16373	2.5
215.10634	2.9
217.12144	12.4
219.13794	8.6
223.11116	2.2
223.14777	2.4
225.11200	77.5
227.10655	2.5
227.17938	1.9
231.13828	1.8
237.16367	3.5
241.12329	2.5
245.11613	1.7
251.17976	4.5
255.13933	1.4
255.17444	5.2
259.13348	2.4
267.12271	11.9
269.18948	8.3
271.20483	2.0
273.18375	5.0
279.12122	1.6
279.17358	8.0
287.20020	6.6
295.17020	3.0
297.18484	30.3
307.41776	1.4
313.17953	5.9
315.19543	58.0
331.18985	4.7
333.13348	11.0
333.20609	8.9
351.14301	5.3
357.20657	5.5
369.20575	3.5
375.21643	3.7
378.22034	1.3
395.22537	1.6
405.20923	1.4
411.21179	1.6
423.21655	6.7
441.22720	21.3
459.23843	9.0
477.24612	3.5
477.93658	1.8
593.81702	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.5
55.01859	3.8
55.05512	9.2
55.70676	1.7
57.03433	2.7
57.07091	2.1
64.71227	1.8
65.03941	6.9
65.23192	1.7
67.01865	2.2
67.05505	21.4
69.03426	23.1
69.07073	10.9
70.24566	3.8
70.24971	6.2
71.04992	7.9
72.55741	1.8
73.02914	4.9
78.48698	1.7
79.05488	19.0
81.03423	29.0
81.07055	24.9
83.04993	10.8
83.08638	3.4
85.02906	6.7
85.06566	1.8
87.04442	2.3
91.05483	27.2
93.03405	3.5
93.07050	34.4
95.04996	9.1
95.08606	35.3
96.21204	1.8
97.02893	30.0
97.06535	12.5
99.04462	6.9
99.08089	2.4
103.05461	1.9
105.07034	49.3
107.04960	7.7
107.07882	2.6
107.08595	47.9
107.09293	3.3
109.02879	55.3
109.06500	11.6
109.10159	41.2
111.04443	37.9
111.08098	9.0
113.05991	1.7
115.05487	2.9
117.07027	8.2
119.08584	73.5
121.02868	72.6
121.06517	8.4
121.10142	25.8
123.04460	3.7
123.08068	13.0
123.11691	10.6
125.06005	3.6
127.03923	100.0
128.06200	4.6
129.07018	6.4
130.07794	3.5
131.08575	16.5
133.06496	47.1
133.07443	3.4
133.09122	2.5
133.10130	50.0
133.11086	3.8
135.08044	17.1
135.11696	9.2
137.05965	3.6
137.09622	6.9
139.03928	5.3
141.06985	3.1
142.07777	6.7
143.08562	14.9
144.09383	2.6
145.04976	7.9
145.06509	2.4
145.10104	22.1
147.08049	29.7
147.11722	8.5
149.09625	10.7
151.03886	2.5
151.07573	2.5
151.11215	5.2
155.08511	3.4
156.09302	3.5
157.06386	2.5
157.10120	17.5
159.08070	6.5
159.11697	21.7
161.09631	26.6
161.13199	5.0
163.03926	3.8
163.07558	3.4
163.11165	15.3
163.14772	2.9
165.07007	2.3
165.09122	27.4
166.07784	2.7
167.08498	1.8
169.10135	8.1
171.08104	5.2
171.11714	19.0
173.09644	5.4
173.13257	10.8
175.07553	3.0
175.11200	5.0
175.14833	4.8
179.08577	2.5
179.09158	2.3
179.10686	17.5
181.10135	8.0
183.11769	3.8
185.09572	13.8
185.13284	5.1
187.11198	9.2
187.14836	7.7
189.09087	22.6
189.16330	2.9
191.06955	2.6
191.10622	2.9
195.11699	6.2
197.09666	3.1
197.13263	4.2
199.11224	25.4
199.14905	6.5
201.12706	3.0
201.16389	4.4
203.10799	2.9
205.12215	2.3
207.10170	27.4
209.09746	2.6
209.11574	2.8
209.13313	3.9
211.14796	3.8
213.12868	3.6
215.14305	2.0
217.12233	13.8
219.13826	5.0
225.09006	3.5
225.11218	70.5
225.13365	3.5
225.16261	2.1
227.17921	5.0
231.13753	2.5
233.11707	2.3
235.13271	3.4
237.16409	4.1
241.12225	3.7
241.19501	2.7
245.11711	2.7
251.17958	5.7
255.17415	6.0
259.13232	2.6
261.16394	2.3
267.12283	10.3
269.19064	8.6
271.16959	2.6
271.20355	2.7
273.18442	4.0
279.17511	4.4
287.20120	8.4
295.16885	2.5
297.18527	28.8
313.17929	6.0
315.19565	52.4
331.19009	8.1
333.13342	7.5
333.20566	6.1
350.20297	3.6
351.14511	3.6
357.20676	4.4
369.20682	2.3
375.21561	3.7
407.33401	2.6
411.21896	2.6
423.21613	7.0
435.32300	3.3
441.22806	20.1
459.23694	10.4
477.25839	2.4
615.27869	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30566	2.3
52.53071	1.9
53.03948	5.1
55.01873	2.9
55.05507	6.0
55.89687	2.2
57.03430	4.0
61.03705	2.1
65.03939	5.5
67.05508	14.9
69.03438	11.3
69.07063	10.2
70.74905	6.3
71.04992	4.7
73.02930	6.8
79.05495	15.7
81.03429	17.5
81.07056	24.3
81.54855	2.2
83.04983	6.1
83.08616	3.4
85.02907	8.1
87.46942	2.0
91.05473	19.0
93.07046	36.5
95.04975	8.1
95.08605	28.6
97.02891	22.1
97.06569	3.5
98.97598	3.1
99.04458	4.8
103.05475	2.2
105.07026	45.0
107.04957	11.4
107.08598	43.6
109.02894	19.2
109.06538	8.4
109.10159	30.3
111.04435	15.6
111.08093	2.1
117.07021	7.0
119.04967	2.6
119.08579	57.7
121.02869	100.0
121.06490	10.0
121.10152	20.7
123.04462	4.7
123.08038	9.9
123.11709	5.7
125.05973	3.4
125.09612	4.1
127.03921	44.6
128.06245	4.3
129.07027	6.5
131.08586	17.9
133.06537	5.9
133.10136	42.2
135.08052	17.5
135.11632	11.3
137.09644	5.3
139.07596	2.5
141.06966	4.2
142.07782	5.3
143.07652	2.1
143.08582	14.2
145.04988	5.8
145.06496	2.5
145.10121	23.2
147.08047	19.3
147.11679	11.7
149.09604	10.9
149.13208	3.4
151.11154	4.1
153.00735	2.2
153.98039	2.0
155.08485	3.0
156.09280	4.5
157.10110	12.2
157.53879	2.4
159.08057	7.6
159.11696	15.1
160.83244	2.0
161.09625	27.0
161.13264	7.8
163.11153	15.6
163.14841	4.9
165.09085	17.5
166.07771	4.9
167.10658	4.5
169.10136	4.9
171.04330	2.2
171.11684	10.5
173.09599	4.2
173.13196	11.4
175.11195	4.3
175.14812	9.7
177.16391	5.8
179.10654	14.2
180.09473	2.0
181.10123	11.5
181.12314	2.0
183.11821	3.3
185.09657	14.9
185.13223	4.5
187.11215	3.7
187.14839	12.9
187.21632	2.1
189.09102	10.7
189.12709	4.2
189.16429	10.3
191.10678	5.1
191.17970	3.5
195.11729	4.4
199.11189	28.1
199.14873	6.5
201.16367	21.3
203.10664	3.8
203.18011	4.2
207.10168	20.4
211.14809	3.3
211.94873	2.4
213.16365	8.2
215.17990	6.3
217.12212	18.7
217.15831	2.8
219.17447	6.0
221.11632	2.7
225.09053	2.4
225.11212	45.3
229.19504	2.5
231.17509	3.8
233.15321	2.8
235.13396	2.8
235.16924	2.8
237.02826	2.2
247.17030	4.2
261.18445	4.7
262.52744	2.3
267.12299	7.4
267.21140	2.6
269.19119	2.6
287.20093	3.9
297.18494	5.9
313.18314	2.4
315.19577	21.6
327.23386	3.3
333.13049	3.3
341.24780	2.7
357.20496	12.7
369.20743	3.5
393.20679	2.4
405.20868	3.0
407.33142	13.1
423.21677	6.8
425.34003	5.4
433.69977	3.5
435.32590	13.4
441.22733	16.2
450.18192	2.2
453.33844	6.7
459.23453	4.4
597.26538	4.3
614.80347	5.9
615.31250	9.1
615.40417	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
53.31154	0.3
55.05517	0.5
57.03427	0.6
57.07069	1.5
61.02877	0.3
67.05511	2.9
69.03426	0.8
69.07072	3.9
70.99715	0.9
71.08624	0.4
78.22196	0.3
79.05508	2.1
81.03419	0.5
81.07057	37.9
82.07407	0.4
85.02915	1.7
91.05463	1.4
91.47199	0.3
93.07017	0.9
94.49475	0.3
95.04967	0.4
95.08607	16.6
97.02872	1.0
98.98463	1.3
102.11555	0.3
105.07051	0.6
106.44266	0.4
107.04943	0.7
107.08565	0.5
109.10149	1.8
115.05466	0.4
117.07039	0.5
119.08581	0.6
121.06502	0.4
124.34813	0.4
127.03925	0.5
129.07004	0.5
131.04948	1.3
131.08559	5.1
133.06467	1.1
133.10155	0.4
137.13257	20.8
141.06972	2.0
144.05710	3.5
145.06470	0.9
145.10191	0.3
149.05975	2.5
153.06984	1.3
155.08568	3.0
157.06494	3.4
159.08060	11.4
159.11687	0.6
161.05949	0.5
161.13177	0.4
163.03952	0.4
165.06990	2.4
168.05655	1.9
169.07562	0.9
173.13275	0.4
183.08060	17.3
189.16469	0.6
201.09097	2.6
201.16461	0.5
219.10161	100.0
220.10477	2.0
235.10919	3.0
299.41199	0.4
309.19995	0.3
453.33591	0.6
615.23431	0.4
615.39581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.9
55.05510	24.9
57.03435	15.1
57.07070	11.4
65.89425	3.6
67.05505	62.3
69.07066	22.0
70.85078	7.5
71.05016	5.8
79.05495	28.7
81.03419	80.6
81.03902	4.0
81.07065	65.2
83.04984	11.8
83.08610	30.4
85.06537	6.1
89.06037	3.8
91.05489	27.8
93.07034	29.9
95.04969	41.1
95.08615	49.8
96.36549	3.4
97.06538	6.5
97.10180	7.8
105.07040	25.1
107.04960	6.0
107.08588	25.2
109.06564	7.6
109.10146	23.9
111.08081	7.1
115.05462	4.8
117.07024	7.2
119.08585	28.8
121.06519	5.5
121.10137	20.1
123.08050	6.0
123.11736	3.9
125.06013	6.9
125.09679	5.4
128.06241	3.9
128.34145	3.2
129.07002	11.5
131.08560	15.5
133.06471	4.4
133.10141	22.2
135.08070	7.5
135.11710	7.4
137.09605	4.0
142.07771	5.3
143.08565	15.9
145.10130	13.3
147.11700	14.4
149.09616	9.1
155.08560	9.7
157.10136	16.0
159.11694	4.8
160.81738	3.8
161.13313	4.3
163.11157	5.1
169.10129	8.0
175.11220	9.3
175.14865	6.0
181.10092	6.2
188.07852	3.2
193.10681	3.3
193.12251	21.2
195.11600	5.4
197.09607	4.5
197.13203	3.7
199.11549	3.3
213.12730	5.2
221.13478	4.4
235.61848	3.7
245.22810	3.7
267.15912	98.3
273.18542	9.2
303.26633	4.3
305.17435	5.0
331.19022	5.4
337.21378	4.1
337.27374	100.0
338.27682	5.1
352.23965	15.4
357.41425	4.2
379.93539	3.4
380.06946	3.3
384.22971	11.0
397.23712	4.7
427.60855	3.7
476.29166	8.3
529.38922	80.5
530.38800	5.4
547.40240	36.1
614.30603	5.7
614.39575	31.0
614.48352	6.1
615.39679	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	614.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.02427	0.4
55.05512	30.7
56.59364	0.4
57.03434	1.7
67.05504	3.6
69.03427	1.3
69.07050	0.6
69.88220	2.6
79.05499	2.4
81.03429	1.3
81.07049	3.3
83.04983	100.0
83.08626	0.4
84.05318	1.0
85.02905	5.8
91.05525	0.9
93.07036	2.9
95.08602	2.9
95.82643	0.4
96.90485	0.4
97.02873	2.5
97.10145	0.4
98.20879	0.4
99.04458	0.6
100.35190	0.4
101.06019	5.7
105.07040	1.2
107.08607	1.6
109.02894	1.0
109.09479	0.4
109.10121	1.8
117.07021	0.4
119.08595	0.9
119.19721	0.4
121.10121	2.1
123.08124	0.4
123.11711	0.8
124.84013	0.4
127.03908	2.4
131.08582	1.0
132.86798	0.4
133.10132	1.1
135.11716	1.9
145.04929	2.7
145.10144	1.0
147.11696	0.9
149.06046	0.7
149.13287	0.9
153.85034	0.4
157.08609	8.1
159.11649	0.5
161.13257	0.7
163.14836	0.6
167.07065	1.2
173.13295	1.3
180.34706	0.4
185.08112	0.6
187.14891	0.7
196.23592	0.4
210.05310	0.4
213.78764	0.4
226.60155	0.4
227.09148	9.4
243.21173	1.3
245.10217	49.6
246.10600	0.9
261.22183	5.0
321.58249	0.4
335.25861	4.8
341.10196	0.5
353.27042	1.6
417.30051	3.4
614.36920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
57.07076	5.9
58.06592	1.3
65.03940	0.6
69.07056	0.5
70.06591	14.3
71.08630	2.4
71.59302	0.5
72.08154	0.6
81.07045	0.6
85.10176	0.9
88.07633	16.9
95.08578	0.4
102.09179	13.0
102.15448	0.3
105.03431	0.5
105.07008	0.5
121.02866	0.4
131.04929	0.5
139.03897	0.6
147.04318	0.5
149.02342	36.8
163.03947	0.9
175.03946	1.1
193.04964	42.1
194.05379	0.6
212.23769	0.6
219.06554	0.7
221.34195	0.3
225.05495	0.8
256.26346	37.7
257.26682	0.7
269.04581	1.5
297.03882	2.1
313.07056	2.2
335.25571	0.3
341.06552	9.4
359.07654	4.9
385.09171	43.1
386.09656	0.7
596.32306	0.6
614.33221	100.0
615.33557	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	614.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
54.78041	0.3
55.01872	0.9
55.05513	2.1
57.03421	0.6
65.03930	1.3
67.05514	1.8
67.07288	0.3
68.99773	0.4
69.03123	0.4
69.03433	3.6
69.07054	1.3
69.40801	2.4
69.41212	0.9
71.04971	0.9
73.02919	0.5
79.05485	1.0
81.03421	4.7
81.07058	2.1
83.08607	1.3
85.02908	3.8
85.06531	0.9
87.00825	3.5
91.05467	1.4
92.36085	0.4
93.07048	1.7
95.04978	1.9
95.08056	0.5
95.08616	5.6
97.02896	8.1
97.06514	0.4
97.10178	2.2
99.04443	1.7
99.73697	0.4
103.05460	0.5
105.01856	3.7
105.07004	2.5
107.04926	0.5
107.08595	2.4
109.02885	9.9
109.06532	1.4
109.10149	2.2
111.04454	5.7
111.08067	0.5
113.06013	6.8
117.01838	0.4
117.06991	1.1
119.04937	0.6
119.08575	4.1
121.02863	1.0
121.06473	1.0
121.10152	1.8
123.04332	0.4
123.08064	1.5
125.02427	0.5
125.05999	0.6
125.09645	2.1
127.03922	8.6
127.07519	0.7
131.04903	0.8
131.08568	1.5
133.06490	0.7
133.10126	3.8
135.08034	0.8
135.11671	0.4
137.05969	0.5
137.09602	0.5
139.03911	15.4
141.18726	0.4
142.07814	0.3
143.08565	1.3
145.04947	1.1
145.10168	2.6
145.11186	0.5
146.45044	0.4
147.04437	0.4
147.08061	1.7
147.11697	1.4
149.09618	0.7
149.13271	0.9
151.07510	0.4
151.11162	0.5
153.05478	1.4
155.08517	0.5
157.10103	1.7
159.02974	0.4
159.08076	1.2
159.11716	2.4
161.05986	0.5
161.09602	4.1
161.13289	0.5
163.07573	0.7
163.11224	0.6
165.05460	0.5
165.09120	1.6
167.06999	0.8
169.10129	0.8
171.11725	1.4
173.09613	1.8
173.13223	1.0
175.07545	0.7
175.11205	1.1
177.09189	0.9
179.10646	1.2
181.04962	0.4
183.11673	1.0
185.09546	0.7
185.13258	1.1
187.07632	0.6
187.11160	1.0
187.14879	0.7
189.09117	2.7
189.12735	0.7
191.10687	1.0
193.08615	0.4
193.12135	0.3
199.11308	0.5
201.09122	0.4
203.10738	1.9
205.08630	1.4
205.12267	0.8
207.10100	1.8
209.15440	0.6
211.11310	0.7
211.14821	0.4
213.03944	1.8
213.12741	0.4
213.16565	0.4
215.10623	1.7
217.08653	0.6
217.12233	1.1
219.10182	0.8
221.11732	0.5
223.09639	0.5
225.11263	0.9
225.16409	1.1
229.12271	0.7
231.05042	3.8
233.11775	1.2
239.17920	0.6
243.17484	0.6
247.07401	0.6
248.08066	0.4
253.15990	0.6
257.19028	0.7
261.11243	1.3
267.17459	1.6
271.16895	1.6
277.15961	0.4
279.12357	0.8
280.10471	0.6
285.18488	4.7
287.19843	0.5
295.16885	1.6
303.19614	1.9
307.09705	0.5
308.09866	0.5
313.17957	4.3
331.19037	3.7
349.20105	100.0
350.20547	1.0
372.15112	0.7
376.16278	0.4
390.22614	1.6
561.23322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78205	0.8
53.03938	3.7
55.01865	1.0
55.05516	2.4
62.96974	0.7
65.03951	0.9
67.05508	2.9
68.13340	0.8
69.03437	3.9
69.07069	1.8
71.04990	0.9
79.05487	1.7
81.03394	5.0
81.07050	3.1
82.88155	0.8
83.04987	2.0
83.08603	1.5
84.08117	0.7
85.02896	5.5
85.06553	1.4
86.09719	0.9
87.00819	3.0
91.05483	3.5
93.07045	2.9
95.04967	1.5
95.08628	5.9
97.02902	8.8
97.06536	2.0
97.10166	2.5
99.04474	1.7
103.05460	0.9
105.01879	3.1
105.07041	5.9
107.04927	1.2
107.08596	2.9
109.02892	12.2
109.06533	2.1
109.10156	3.3
111.04469	6.8
113.06008	6.5
117.07014	1.2
119.04981	0.9
119.08566	5.8
121.02852	2.0
121.06517	3.7
121.10130	2.3
123.04462	1.0
123.08081	2.0
123.11632	1.0
125.02370	1.0
125.06015	1.0
125.09639	3.1
127.03925	8.0
131.04918	3.3
131.08582	2.2
133.06451	0.8
133.10136	5.2
135.04416	0.8
135.08113	1.4
135.11691	1.6
137.06009	2.0
139.03912	16.1
143.08554	1.8
145.04997	1.2
145.10120	2.8
147.04407	1.3
147.08041	1.9
147.11687	2.1
153.05435	1.3
157.10095	2.4
159.07993	1.0
159.11713	2.9
161.06032	1.2
161.09647	4.5
163.03963	1.5
165.09114	1.4
167.03416	1.3
167.07059	12.0
169.10083	1.4
171.11722	1.8
173.09618	2.1
173.13315	1.7
175.07518	1.3
177.05363	1.1
177.09093	1.3
179.10690	1.2
181.04927	2.5
183.11732	1.3
185.09555	0.9
185.13365	1.0
187.11179	1.9
187.14732	1.3
189.09102	3.3
189.12717	1.4
193.08617	1.4
201.16544	1.2
203.10654	1.6
205.12323	0.9
207.10170	1.1
213.03964	1.9
215.10728	1.8
217.12334	1.0
219.08133	1.7
225.11174	2.0
231.05025	3.2
233.08032	1.0
233.11731	1.2
241.03552	1.0
243.17400	1.0
247.07494	1.2
248.07991	1.6
267.17487	1.6
269.19049	1.0
271.16864	1.2
279.10294	1.2
280.10574	1.6
285.18500	5.6
295.16992	1.5
303.19522	1.2
307.09631	0.9
308.09702	1.1
313.18008	3.4
331.19049	5.4
349.20111	100.0
350.20401	2.7
372.15356	1.1
387.14154	1.7
390.22934	1.6
561.22791	1.4
579.23944	1.1
614.22894	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
53.13017	0.3
55.01867	1.0
55.05500	1.5
57.03429	0.6
61.02920	0.8
65.03930	1.1
67.05497	1.4
69.03426	4.7
69.07065	1.7
69.96504	1.4
71.04987	1.0
72.08124	0.3
73.02911	1.0
73.06564	0.5
76.45511	0.4
79.05489	1.0
81.03423	6.2
81.07059	2.6
83.04987	0.7
83.08615	1.1
85.02908	6.4
85.03414	0.4
85.06548	0.9
87.00826	5.3
87.04449	0.4
91.05471	1.9
93.07052	2.0
95.04957	1.2
95.08054	0.4
95.08611	6.3
97.02897	10.8
97.06528	0.9
97.10190	0.6
98.20811	0.4
99.04456	2.4
99.08085	0.6
105.01870	4.8
105.07036	3.3
106.07374	0.4
107.04934	0.6
107.08600	3.1
108.74433	0.3
109.02887	13.6
109.06503	1.3
109.10171	2.3
111.04433	5.2
111.08076	0.9
113.06015	1.4
117.01830	0.5
117.07067	0.4
119.04996	0.5
119.07910	0.4
119.08604	4.8
121.02875	0.7
121.06477	0.7
121.10180	2.2
123.04456	0.4
123.08064	1.1
123.11700	0.7
125.06000	0.6
125.09638	4.8
127.03928	12.8
129.01779	0.8
129.06967	0.6
131.08557	1.3
133.06505	1.2
133.10132	3.6
135.08047	0.9
135.11699	1.1
137.05980	2.3
137.09622	0.8
139.03908	22.5
142.07802	0.5
143.08563	1.6
145.04933	2.7
145.06551	0.7
145.10165	2.6
147.02890	0.5
147.04396	0.6
147.08035	1.8
147.11685	2.2
149.09634	1.4
149.13203	0.8
151.07507	0.7
151.11307	0.5
153.05443	2.1
156.09322	0.4
157.10124	2.7
159.02913	2.2
159.08092	2.3
159.11671	2.2
161.06006	0.7
161.09622	2.9
161.13245	1.0
163.07521	0.8
163.11185	1.1
165.05486	0.5
165.09120	1.3
167.07106	0.6
169.10121	1.2
170.10916	0.4
171.11684	1.5
173.09567	2.2
173.13283	0.8
175.07545	1.0
175.11134	1.9
177.05502	0.4
177.09103	0.9
177.12738	0.8
179.07143	0.7
179.10666	0.4
181.04913	0.4
183.11700	1.7
185.09605	1.3
185.13277	2.2
187.07591	0.7
187.11176	2.2
187.14862	1.0
189.09142	4.2
189.12733	1.4
191.10637	0.5
191.14319	0.7
193.08611	1.1
195.11685	0.4
197.09624	1.0
197.13263	1.1
199.11235	0.8
199.14838	1.1
201.09140	0.6
201.12775	1.8
203.07076	0.7
203.10667	1.3
205.08633	0.9
205.12285	0.5
207.10103	1.6
209.13350	0.7
209.15382	1.1
210.14041	0.5
211.11172	0.9
211.14851	1.1
213.03995	2.3
213.12749	1.2
213.16354	0.4
215.10709	1.5
215.14316	0.7
215.17949	0.4
217.08641	0.9
217.12302	0.8
219.10210	0.9
221.08081	0.6
221.11571	0.4
223.14874	0.6
225.11017	2.0
225.13120	0.5
225.16367	1.4
227.14339	1.2
229.12277	1.4
229.15877	0.9
231.05023	5.1
231.10146	0.5
231.13828	0.6
233.11716	1.1
235.09518	0.7
239.14282	0.6
239.17972	0.7
241.15826	1.0
243.10139	0.8
243.13940	1.1
243.17401	1.1
245.15341	0.7
247.13336	1.0
249.16536	0.6
253.15907	1.2
257.11731	0.9
257.15164	0.4
257.19034	1.6
259.13278	0.4
261.11206	0.5
267.17450	3.5
269.15518	0.5
269.18866	0.4
271.13611	0.5
271.17007	1.7
285.18512	13.5
287.16492	1.0
287.20062	1.7
289.18066	0.4
295.16898	2.5
303.19531	5.2
313.17972	10.9
331.19052	19.5
332.19397	0.4
334.89267	0.4
349.20102	100.0
350.20453	1.1
390.22720	1.4
396.69934	0.4
561.22852	0.6
631.29773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01862	1.2
55.05500	1.4
57.03431	0.9
61.02929	0.9
65.03944	2.1
66.35182	0.4
66.93334	0.4
67.05501	1.9
68.99776	0.7
69.03127	0.5
69.03438	5.0
69.07071	2.0
69.95480	0.9
69.95889	1.8
71.04984	1.3
73.02921	0.5
79.05476	1.2
81.03427	6.4
81.07059	2.4
83.04975	1.2
83.08601	1.2
84.71362	0.4
85.02909	8.3
85.06531	0.9
87.00838	5.8
91.05475	1.6
93.07040	2.0
95.04962	1.2
95.08610	6.8
97.02895	11.9
97.06528	1.1
97.10194	0.5
98.21452	0.5
99.04460	3.0
99.08098	1.0
105.01859	4.9
105.07030	3.5
107.04969	0.8
107.08603	3.0
109.02888	12.0
109.06506	1.8
109.10133	2.5
111.04447	5.1
111.08083	0.9
111.11700	0.5
113.05981	1.5
117.01804	0.5
117.07008	1.1
119.08600	5.6
121.06499	1.2
121.10159	2.1
123.08064	1.3
123.11724	1.1
125.02349	0.6
125.05989	0.5
125.09634	9.2
127.03928	13.4
129.06960	0.4
131.08549	1.7
133.06464	1.0
133.10141	5.2
135.08043	1.2
135.11681	1.7
137.05965	2.4
137.09637	0.8
139.03906	21.1
143.08569	1.6
145.04961	2.1
145.06479	0.6
145.10097	2.4
147.04428	0.6
147.08038	2.7
147.11687	1.9
149.09624	1.2
149.13263	0.9
151.07567	1.0
153.05467	1.8
156.09367	0.7
157.10172	2.3
159.02904	2.1
159.08047	2.1
159.11697	2.5
161.05991	0.7
161.09599	3.1
161.13257	0.7
163.07596	1.0
163.11212	0.9
165.09105	2.2
167.06924	0.7
169.10124	1.0
170.10875	0.5
171.08006	0.7
171.11697	1.8
173.09636	3.0
173.13266	1.5
175.07600	1.1
175.11189	1.5
175.14812	0.6
177.09082	0.6
177.12724	0.5
179.10698	1.0
183.11678	1.6
185.09624	1.0
185.13298	2.0
187.07564	0.7
187.11182	1.8
187.14841	1.0
189.09113	4.8
189.12715	1.5
191.10643	0.4
191.14313	0.6
193.08597	0.8
195.11742	1.0
197.09634	0.8
197.13232	1.3
199.14803	1.0
201.09087	1.2
201.12755	0.8
203.10646	1.7
205.08650	0.7
205.12491	0.8
207.10147	1.9
209.13385	1.0
211.11200	0.9
211.14886	0.8
213.03973	1.6
213.12750	1.4
215.10695	1.5
215.14325	0.9
217.08591	0.8
217.12299	1.8
219.10094	0.6
221.08179	0.6
221.11679	0.6
225.10999	3.2
225.13083	0.6
225.16341	1.7
227.14340	1.5
229.12250	1.2
229.15956	1.0
231.05014	4.6
231.10269	0.6
233.11653	0.7
239.18031	0.7
241.15840	0.6
243.10226	0.5
243.13896	0.7
243.17513	0.8
247.13371	1.2
253.15840	1.2
257.11703	0.9
257.19000	0.9
267.17563	3.5
271.16937	1.7
285.18512	11.3
287.16519	1.2
287.20026	1.3
289.17947	0.9
295.16943	2.2
303.19641	4.3
313.18005	8.7
331.19058	19.8
349.20105	100.0
350.20526	0.7
367.21057	0.5
390.22672	1.4
457.21875	0.5
475.23499	0.8
561.23212	1.1
579.24243	0.9
644.25604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66937	0.6
53.03939	1.7
55.01868	1.5
55.05512	1.5
57.03432	0.9
58.39333	0.6
62.73916	0.6
67.05498	2.0
67.05839	0.5
69.03436	7.0
69.07053	2.0
69.29485	0.6
69.29828	7.3
70.29100	0.6
71.04964	0.7
73.02898	0.9
79.05496	3.0
81.03398	3.0
81.07072	5.4
83.04984	1.7
85.02906	4.6
87.00840	2.3
91.05480	4.6
93.07050	6.0
95.04975	1.6
95.08633	4.2
97.02905	12.1
97.06542	1.5
97.56874	0.6
98.03701	1.2
98.97639	0.9
99.04461	1.0
103.05489	0.8
105.01855	1.3
105.07046	10.9
107.04967	1.1
107.08595	17.1
107.09299	1.1
109.02894	4.2
109.06505	3.4
109.10148	1.9
111.08080	2.4
113.05987	1.6
117.07086	0.8
118.08682	4.6
119.04905	0.7
119.08582	21.6
121.06484	1.7
121.10157	6.9
123.08077	7.0
123.11711	2.4
125.09636	100.0
127.03928	6.8
129.01852	0.9
129.09137	1.1
131.08562	2.1
133.06522	1.7
133.10135	16.4
135.08020	0.7
135.11687	2.1
137.05943	1.0
137.09616	3.4
143.08571	3.6
145.04942	1.6
145.10092	1.8
147.08060	11.3
147.11710	0.7
149.09610	1.1
151.07486	0.9
151.11186	2.4
155.08562	0.7
157.10146	2.4
159.02892	1.4
159.11777	0.8
161.09633	10.2
161.30606	0.7
163.07591	0.8
163.11209	2.1
165.09137	14.3
167.07039	1.4
168.03711	0.6
171.11740	1.7
173.13286	1.0
175.11195	0.7
177.05493	0.9
179.10695	9.9
181.04977	0.8
183.11716	0.8
185.09579	1.1
189.09113	10.1
191.08418	0.7
191.10706	1.0
197.13295	0.8
201.12811	0.7
203.10693	1.3
207.10164	15.1
207.12019	1.1
217.12302	1.4
219.07982	1.0
225.11218	33.0
225.16182	1.1
227.17984	0.9
229.15700	0.8
231.05104	1.3
247.07480	0.9
249.08183	0.7
249.16364	1.2
253.15810	0.9
267.17444	2.4
271.16898	1.5
271.19852	0.5
280.10550	1.8
285.18518	2.8
289.18082	2.2
295.17001	1.5
303.19385	1.1
308.09995	1.1
313.17981	5.6
331.19064	19.6
349.20111	89.9
350.20355	1.9
367.21155	6.3
597.24750	1.8
614.23053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78205	0.8
53.03938	3.7
55.01865	1.0
55.05516	2.4
62.96974	0.7
65.03951	0.9
67.05508	2.9
68.13340	0.8
69.03437	3.9
69.07069	1.8
71.04990	0.9
79.05487	1.7
81.03394	5.0
81.07050	3.1
82.88155	0.8
83.04987	2.0
83.08603	1.5
84.08117	0.7
85.02896	5.5
85.06553	1.4
86.09719	0.9
87.00819	3.0
91.05483	3.5
93.07045	2.9
95.04967	1.5
95.08628	5.9
97.02902	8.8
97.06536	2.0
97.10166	2.5
99.04474	1.7
103.05460	0.9
105.01879	3.1
105.07041	5.9
107.04927	1.2
107.08596	2.9
109.02892	12.2
109.06533	2.1
109.10156	3.3
111.04469	6.8
113.06008	6.5
117.07014	1.2
119.04981	0.9
119.08566	5.8
121.02852	2.0
121.06517	3.7
121.10130	2.3
123.04462	1.0
123.08081	2.0
123.11632	1.0
125.02370	1.0
125.06015	1.0
125.09639	3.1
127.03925	8.0
131.04918	3.3
131.08582	2.2
133.06451	0.8
133.10136	5.2
135.04416	0.8
135.08113	1.4
135.11691	1.6
137.06009	2.0
139.03912	16.1
143.08554	1.8
145.04997	1.2
145.10120	2.8
147.04407	1.3
147.08041	1.9
147.11687	2.1
153.05435	1.3
157.10095	2.4
159.07993	1.0
159.11713	2.9
161.06032	1.2
161.09647	4.5
163.03963	1.5
165.09114	1.4
167.03416	1.3
167.07059	12.0
169.10083	1.4
171.11722	1.8
173.09618	2.1
173.13315	1.7
175.07518	1.3
177.05363	1.1
177.09093	1.3
179.10690	1.2
181.04927	2.5
183.11732	1.3
185.09555	0.9
185.13365	1.0
187.11179	1.9
187.14732	1.3
189.09102	3.3
189.12717	1.4
193.08617	1.4
201.16544	1.2
203.10654	1.6
205.12323	0.9
207.10170	1.1
213.03964	1.9
215.10728	1.8
217.12334	1.0
219.08133	1.7
225.11174	2.0
231.05025	3.2
233.08032	1.0
233.11731	1.2
241.03552	1.0
243.17400	1.0
247.07494	1.2
248.07991	1.6
267.17487	1.6
269.19049	1.0
271.16864	1.2
279.10294	1.2
280.10574	1.6
285.18500	5.6
295.16992	1.5
303.19522	1.2
307.09631	0.9
308.09702	1.1
313.18008	3.4
331.19049	5.4
349.20111	100.0
350.20401	2.7
372.15356	1.1
387.14154	1.7
390.22934	1.6
561.22791	1.4
579.23944	1.1
614.22894	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.94928	0.9
55.01855	1.0
55.05273	0.9
55.05513	10.3
57.03424	2.8
57.07066	2.8
67.05173	1.7
67.05508	22.6
69.07065	11.0
71.08624	1.9
71.31853	2.1
75.51974	0.9
77.69915	1.1
79.05495	13.1
81.07057	26.9
82.13998	0.8
83.04980	1.5
83.08604	5.6
91.05487	12.5
93.07047	16.6
95.04976	1.5
95.08610	17.0
97.06504	1.9
97.10146	4.4
105.04510	1.0
105.07034	17.0
107.08581	8.4
109.10152	7.9
111.08071	2.0
117.07021	6.2
119.08578	18.0
121.10114	5.0
123.11696	3.0
129.06975	5.3
131.08574	15.1
133.10117	6.0
135.11676	3.5
137.13280	1.5
141.07002	2.1
143.08557	8.4
145.10129	13.7
147.11670	4.5
149.13260	2.2
151.14801	1.2
155.08571	2.9
157.10121	7.8
159.11697	6.7
161.13286	5.2
167.08592	1.4
169.10168	2.8
171.11719	3.3
173.13257	5.2
175.14868	2.9
179.14259	1.2
181.10106	2.2
183.11732	3.5
185.13301	4.3
187.14809	6.1
189.16394	1.6
195.11798	1.7
197.13336	3.5
199.14844	3.5
201.16380	5.3
209.13353	2.9
211.14886	1.8
213.16385	2.2
215.17996	2.9
223.14929	1.1
225.16451	1.9
227.17934	1.1
231.21152	2.0
239.18016	1.2
241.19629	1.3
243.20836	1.0
245.22598	1.2
451.36023	1.1
503.42783	1.1
515.37488	1.2
521.43427	8.5
523.33881	1.4
539.44489	4.3
577.46417	1.2
595.47369	9.9
613.48230	100.0
614.48376	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.01730	0.7
53.03943	0.8
55.01863	0.8
55.05513	13.3
57.03442	3.7
57.07067	2.6
60.78607	0.5
65.03946	2.5
67.05505	35.3
69.03426	1.0
69.07069	11.3
71.04974	1.0
71.08617	1.6
71.58276	1.2
79.05495	19.7
81.07056	41.4
83.04977	1.2
83.08617	7.5
85.06560	1.2
91.05470	15.0
91.06004	1.0
93.07044	26.3
95.04973	3.2
95.08606	33.3
97.06538	2.0
97.10187	4.1
99.08101	1.4
103.05582	0.6
105.07028	19.7
107.08591	15.2
109.10160	16.8
111.08095	1.6
111.11729	1.2
115.05481	0.8
117.07015	7.9
119.08577	13.8
121.10143	13.6
123.11720	6.3
125.09618	0.9
129.06993	3.1
130.48694	0.6
131.08565	13.2
131.09500	0.8
133.10124	14.3
133.11064	0.8
135.11697	10.7
137.09660	1.0
137.13263	2.2
139.11191	0.8
141.06984	0.8
143.08571	4.1
145.10124	13.4
147.11678	10.4
149.13261	5.6
155.08574	1.4
157.10130	5.4
159.11685	10.2
161.13251	6.6
163.11296	1.0
163.14861	2.4
165.16373	0.7
169.10158	2.9
171.11650	4.8
173.13245	8.5
175.14792	4.1
177.16440	1.8
181.10081	0.7
183.11696	1.2
185.13277	2.9
187.14796	4.2
189.16422	2.2
191.18048	1.1
195.11717	0.8
197.13306	1.7
199.13274	0.8
199.14891	3.7
201.16418	2.8
203.18033	1.0
210.77271	0.8
211.14774	1.5
213.16493	1.9
215.18045	1.0
217.19476	1.4
227.18123	1.4
229.19545	1.0
231.21156	1.4
241.19556	2.3
243.21155	2.3
245.22675	1.0
247.20415	0.7
259.20575	4.5
261.22122	6.3
273.22189	0.8
275.23596	0.7
277.21631	1.6
279.23135	1.0
299.23727	1.2
309.24619	0.7
313.25217	0.8
315.26605	0.7
317.25037	1.0
333.24191	4.4
335.25787	11.6
337.27396	6.8
341.28607	1.1
347.25967	0.7
353.28436	0.8
355.29929	1.1
373.27444	0.9
444.88385	0.7
485.36304	0.8
489.35657	0.9
503.36835	1.3
517.38751	1.0
521.43396	3.5
531.40570	0.8
539.44586	2.4
543.40649	1.6
595.47198	9.0
613.48242	100.0
614.48627	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03945	1.6
54.67377	0.7
55.01865	1.0
55.05516	14.3
56.32980	0.7
57.03445	5.2
57.07074	3.1
65.03942	1.5
67.05508	41.3
69.07073	14.4
69.91926	3.9
71.04990	1.6
79.05497	21.0
81.07061	53.0
83.08616	8.5
91.05477	16.3
93.07047	30.3
95.04993	2.9
95.08611	40.5
95.09232	1.4
97.06555	2.6
97.10175	4.9
99.08109	1.1
105.07038	20.5
107.08599	20.8
109.06561	1.0
109.10159	19.1
111.08073	1.5
117.07011	8.2
119.08587	19.6
121.10146	16.6
123.11709	8.6
125.09615	1.2
129.07050	4.3
131.08572	14.9
133.10136	16.8
135.11705	13.5
137.09662	1.7
137.13295	3.2
141.07098	0.9
143.08560	5.0
144.09390	1.0
145.10118	16.6
147.11693	14.0
149.13272	7.4
155.08549	1.3
157.10146	5.5
159.11703	11.7
161.13245	8.3
163.14845	3.8
167.08615	0.9
169.10188	2.6
171.11708	7.3
173.13300	9.4
175.14833	4.7
177.16406	1.8
183.11693	1.6
185.13286	6.0
187.14830	5.6
189.16441	2.1
197.13329	1.7
199.14851	3.9
201.16399	3.6
203.18040	1.4
213.16379	1.5
215.18065	2.0
217.19640	1.5
223.14862	1.0
225.16347	2.0
227.18013	1.3
229.19604	1.0
231.21140	1.2
241.19672	2.1
243.21194	1.8
247.20670	1.0
255.21288	1.1
259.20590	6.6
261.22150	8.2
263.23828	1.1
273.22241	1.8
287.23785	1.3
299.23792	1.3
301.24997	1.1
303.23163	1.3
317.24814	1.4
333.24252	4.9
335.25790	14.1
337.27426	8.1
347.25650	1.1
397.35052	0.9
489.35190	1.3
503.37115	1.7
521.43622	4.2
529.38385	1.2
531.39825	0.9
539.44220	2.0
543.40833	1.2
595.47314	9.6
613.48260	100.0
614.48541	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	613.2656
Annotation	Karajinone B
Peak:m/z	Relative Intensity
50.21388	0.3
52.87725	0.3
55.05502	0.3
60.52265	0.3
64.15214	0.3
67.05505	1.0
69.07059	0.5
79.05493	0.5
81.07054	1.0
85.02908	0.4
91.05472	0.8
93.07036	0.7
95.04980	0.4
95.08599	0.6
98.21519	0.8
105.06999	0.7
106.59183	0.4
107.08568	0.4
109.06530	1.3
109.10183	0.4
117.07066	0.3
119.08591	0.8
121.06467	0.3
121.10123	1.2
130.79121	0.3
131.08582	0.3
135.11726	0.6
141.07031	0.4
145.10123	0.6
149.13266	0.4
157.10184	0.4
171.11716	0.4
204.06563	0.5
221.15350	0.7
225.10181	0.3
229.83328	0.4
245.74266	0.3
249.10397	0.6
263.11633	0.5
293.21909	0.3
344.72748	0.4
358.76184	0.3
366.14926	0.9
367.15344	0.6
367.19376	1.0
380.16339	1.0
381.17059	2.3
381.21021	0.3
382.18060	0.4
393.17123	0.7
394.18027	0.8
395.14557	0.4
395.18677	2.8
396.19473	3.2
397.20328	1.2
407.18674	0.5
408.15454	0.7
408.20148	0.6
409.16415	1.4
409.21338	1.7
410.20950	1.0
411.22083	1.8
421.20670	0.7
423.17584	2.8
424.18942	2.7
425.19830	0.5
435.18134	0.6
436.19467	0.6
437.16000	1.7
437.20746	0.8
438.20694	1.5
439.21280	5.1
449.19791	1.4
450.20636	0.4
451.17111	4.3
452.18024	2.0
453.19360	0.8
465.19412	1.3
466.19827	4.1
467.20712	2.8
479.21002	2.9
482.23157	1.1
483.23849	1.1
493.22250	1.7
495.20306	0.6
497.25504	1.4
507.20401	0.6
510.22803	1.1
511.19711	0.7
521.22217	0.7
525.25024	10.9
535.23462	0.8
538.22089	2.1
539.22803	0.7
553.24445	17.5
554.24756	0.8
576.40680	0.3
581.23511	0.9
584.22974	0.4
595.25293	0.6
598.24280	0.7
613.26520	100.0
614.26782	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	613.2653
Annotation	Karajinone B
Peak:m/z	Relative Intensity
59.17680	1.4
67.05505	2.9
69.07051	1.5
69.71332	8.5
79.05494	2.4
81.07018	2.0
85.02856	1.5
91.05499	1.9
93.07024	3.0
95.04974	2.3
95.08611	3.1
98.21461	1.8
105.07033	3.7
109.10168	1.7
110.12808	1.4
116.70708	1.6
119.08561	3.5
121.10143	3.4
127.20329	1.5
133.10136	2.7
149.09593	1.9
167.10730	2.2
173.31340	1.5
174.09148	4.5
185.07120	2.2
187.12347	2.0
188.10765	3.7
215.11914	2.4
225.10342	3.2
227.11763	2.5
241.13361	4.7
243.08971	3.1
243.11360	14.6
251.11890	2.0
267.11362	5.7
269.12875	4.1
277.09573	2.6
287.14041	1.9
295.10800	3.8
311.13998	1.7
316.10733	1.6
316.14310	1.7
327.13535	6.9
328.14709	2.7
330.12537	1.9
342.12302	2.4
343.13287	1.8
344.13846	3.2
356.13962	2.9
357.14673	2.1
358.15353	3.6
370.15503	2.0
372.17212	4.3
378.15604	2.9
386.19131	1.5
418.17642	2.8
446.16849	1.9
448.22235	1.5
465.19354	4.4
477.19608	1.8
478.19760	3.3
479.20547	2.7
480.21121	2.5
481.22354	2.1
490.20166	2.7
492.21304	2.9
507.23969	3.6
514.18250	1.7
535.23187	8.1
553.24438	52.0
554.25128	2.5
581.23938	35.1
582.24042	2.0
613.26520	100.0
613.38086	5.0
614.26917	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2283
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
53.03943	0.7
55.01855	0.8
55.51697	0.4
57.03433	0.5
65.03946	2.8
67.05489	1.1
67.34779	0.3
69.03437	2.3
70.06582	0.8
70.37035	0.3
71.04971	0.7
71.59302	0.4
78.04706	2.7
79.05471	1.3
81.03397	0.7
81.07037	0.9
82.04206	1.1
82.94283	0.3
85.02908	3.2
86.03248	0.4
86.09693	0.8
87.04456	0.8
88.10111	0.3
91.05487	7.6
93.03414	0.8
95.04965	1.4
95.08577	0.5
97.02882	3.1
97.06516	0.7
103.05481	2.0
105.07047	0.8
106.04166	1.2
107.04951	2.1
109.02888	0.6
109.06542	0.4
110.03665	1.4
111.04438	1.0
115.03943	1.2
115.05456	4.9
117.07025	9.0
119.04966	4.4
121.02863	0.7
121.06522	0.4
122.03640	0.8
123.04435	7.5
124.05212	2.7
125.02367	0.7
125.06020	1.1
127.03904	1.4
127.05421	1.2
131.04903	0.7
133.02850	0.7
133.04982	0.8
133.06439	0.4
134.03625	0.4
134.05247	0.3
135.04393	0.4
135.11668	0.4
137.05983	5.0
137.13237	0.3
138.03116	0.7
139.03870	0.6
142.02599	0.6
143.04948	0.6
145.02847	0.6
145.06487	14.8
147.04425	4.8
147.08049	0.9
149.05908	0.5
151.03897	2.1
151.07567	0.8
152.04674	2.0
153.01843	0.8
153.05466	2.2
155.06046	3.8
159.04410	0.5
160.05280	0.4
161.05978	1.0
163.03935	0.6
165.05542	0.7
167.07047	100.0
168.07349	0.6
171.06557	2.3
173.05992	25.1
174.06387	0.4
175.07535	1.0
177.05417	1.9
179.07028	1.5
181.04965	32.6
182.05368	0.5
188.04646	0.5
190.06416	0.4
191.07043	0.5
191.08614	0.7
201.05490	1.0
203.07053	1.4
205.08591	5.7
207.10057	0.4
209.08005	0.5
217.04947	1.1
219.08102	0.9
231.06540	0.8
233.08041	4.4
235.07455	0.4
235.09608	5.3
235.11790	0.4
237.09161	0.5
247.07599	1.0
250.06180	0.5
251.10695	0.4
264.07925	0.4
265.08649	0.6
269.76532	0.3
274.04373	0.4
279.10162	1.9
286.04431	0.4
287.05164	0.4
293.08194	0.6
295.09616	0.6
302.04269	0.9
303.04819	0.8
304.04865	0.9
307.09470	2.3
310.08325	0.4
317.06613	8.4
317.10135	0.6
317.25891	0.4
318.06906	7.8
319.07120	9.8
325.10782	1.2
326.11429	0.3
355.11734	0.4
357.13495	3.0
385.12823	18.0
386.13705	0.6
387.14377	5.9
417.15445	11.5
583.21783	3.1
613.22833	58.0
614.23242	1.1
636.70367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.2
55.01863	6.2
55.05513	35.0
57.03423	16.5
57.07063	6.4
63.93501	4.1
65.03940	4.4
67.05502	87.0
69.07065	31.2
71.04984	7.8
71.08616	5.5
71.58786	6.1
71.59134	5.3
79.05490	46.1
81.03410	33.1
81.07051	77.2
83.04982	15.5
83.08616	23.7
85.02911	6.8
91.05470	38.4
93.07047	45.1
95.04968	12.2
95.08598	57.7
97.02914	8.3
97.06517	10.5
97.10144	12.4
99.76860	4.8
105.07021	16.9
107.04923	11.3
107.08591	25.2
109.06543	7.5
109.10129	22.8
111.04436	21.5
111.08029	5.1
112.53864	4.4
117.06967	12.9
119.08595	27.1
121.06475	10.3
121.10109	26.1
123.08038	8.0
123.11695	11.2
125.05963	4.9
125.09609	8.4
126.37229	4.9
131.08493	11.4
133.10136	15.4
135.11679	18.6
136.75536	5.1
143.08548	5.3
145.10117	25.8
147.11632	9.4
149.13306	6.5
153.12744	9.2
159.11713	5.2
161.13261	8.4
163.11208	30.3
191.10698	7.1
209.11699	11.5
223.13303	18.9
227.12755	8.5
241.14313	23.2
245.22763	4.9
265.14401	8.7
283.15359	19.9
315.18130	39.6
337.27356	100.0
339.31784	4.6
380.23071	4.5
527.36536	5.3
545.38336	49.8
563.38434	6.1
565.91046	5.2
577.40942	68.6
612.46112	17.7
612.58148	5.6
635.92700	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	612.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	17.1
53.79787	15.2
55.05498	30.2
57.03435	22.5
67.05511	77.7
69.07066	46.1
70.41171	28.7
70.41580	30.3
79.05496	51.9
81.03408	63.9
81.07069	100.0
83.08614	24.2
91.05479	64.7
93.07030	99.4
95.04976	34.6
95.08607	79.8
105.07011	39.2
107.08590	79.1
109.10178	31.7
117.07056	28.7
119.08578	47.8
121.10149	35.4
131.08502	24.7
135.11661	33.0
160.81564	14.8
219.75200	14.0
245.15535	13.3
267.15924	36.7
335.25613	42.4
527.37305	34.7
545.37775	27.6
612.46576	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96798	0.8
53.03949	1.0
55.05505	7.4
57.03423	1.3
57.07069	3.2
61.02908	1.5
65.03931	0.9
67.05499	17.0
69.03424	4.6
69.07060	9.0
70.13365	3.3
71.04984	2.1
73.02925	1.6
79.05486	7.1
81.03411	1.9
81.07052	21.2
83.08614	5.5
85.02899	16.7
85.06516	0.9
87.04411	1.0
91.03931	1.6
91.05453	6.3
92.57071	0.7
93.07040	16.0
93.40163	0.7
95.04973	4.2
95.08601	99.8
96.08934	0.9
97.01464	0.7
97.02885	4.8
97.06529	2.2
97.10163	2.7
101.02403	0.8
105.07020	15.4
107.04946	1.0
107.08584	30.6
109.02877	1.8
109.06542	2.0
109.10148	31.0
111.08084	1.4
111.11662	0.8
113.02354	3.8
115.00085	0.7
117.03440	0.7
117.07004	2.4
119.08575	28.4
121.06497	1.0
121.10138	28.5
122.10463	0.8
123.08059	1.6
123.11687	10.1
125.06000	3.9
125.09685	0.8
127.03927	2.8
131.08563	6.7
133.06448	0.8
133.09114	1.5
133.10124	30.9
135.04410	2.2
135.08061	1.8
135.11681	35.1
136.11980	0.8
137.09570	1.2
137.13284	4.8
139.07529	2.3
143.08566	1.1
145.05028	4.1
145.10124	15.9
147.08046	0.9
147.11685	18.2
149.09605	1.0
149.13242	11.4
151.11166	0.8
153.09120	1.0
153.12688	4.5
157.10121	2.9
158.10887	1.3
159.11673	15.2
160.12148	0.7
161.09572	1.4
161.13239	14.7
163.03903	7.8
163.11206	2.4
163.14838	6.4
165.09204	1.0
165.12723	2.1
167.06996	1.7
169.10112	1.1
171.11664	3.7
172.12469	1.5
173.09648	1.0
173.13257	15.0
174.13657	0.7
175.11224	1.5
175.14819	6.6
177.12741	2.7
177.16388	1.1
180.08673	5.6
181.12206	6.0
183.11620	1.7
185.13257	3.4
187.11229	0.8
187.14810	26.0
189.12778	2.1
189.16362	5.4
191.14293	1.9
191.17921	1.7
193.12146	1.7
197.13272	1.6
199.14835	1.5
201.12669	1.1
201.16379	9.3
203.14270	2.5
203.17943	37.0
204.18321	0.9
205.12088	0.8
205.51541	0.8
207.13783	8.8
211.14809	2.7
213.16409	1.0
215.14320	3.7
215.17960	3.0
217.15843	1.2
219.13760	1.2
221.15349	3.3
225.16258	2.0
227.17963	1.2
229.15895	4.0
229.19560	1.2
233.15338	8.6
241.19562	1.2
243.17400	1.3
243.21051	4.1
247.16933	2.7
257.22629	42.2
258.23059	1.1
259.24197	1.6
267.21063	9.1
285.22125	30.7
289.32434	0.8
303.23169	100.0
304.05154	1.0
304.23569	2.2
390.32715	0.7
415.25064	1.0
425.10614	0.8
433.25800	4.4
612.30505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01867	1.3
55.05498	2.4
57.03432	1.3
57.07051	1.1
57.95723	0.7
61.02921	1.0
65.03954	1.4
66.45193	0.7
67.05183	0.6
67.05511	7.5
69.03423	3.0
69.07069	3.7
69.59470	3.0
69.59900	2.0
71.04978	2.0
79.05479	3.6
81.03423	2.1
81.07065	8.6
83.04989	2.2
83.08595	2.1
85.02910	6.9
85.06534	2.1
89.03895	1.8
91.05463	6.4
93.07050	8.1
94.06550	0.7
95.04947	2.4
95.08602	12.7
97.02881	4.2
97.06116	0.5
97.06550	4.9
97.10179	1.1
97.20039	0.6
99.04482	3.0
99.08074	0.9
99.82333	0.6
102.04677	0.9
103.05452	2.4
105.07035	9.3
107.04961	1.4
107.08592	10.6
109.02865	2.0
109.06509	1.7
109.10162	11.5
110.10489	0.7
111.04445	6.0
111.08082	3.1
115.05429	0.7
117.03370	4.6
117.07012	2.5
118.04169	1.0
119.04945	1.9
119.08588	21.6
121.02863	1.2
121.06497	1.4
121.10137	8.0
122.08384	0.8
123.04429	1.1
123.08052	3.3
123.11686	3.8
125.02341	0.6
125.05961	1.4
125.09643	1.0
127.03915	3.1
129.07004	1.1
131.04939	5.4
131.08554	3.7
133.06508	1.3
133.10138	13.6
135.04396	1.1
135.08061	4.0
135.11694	3.9
137.05968	2.1
137.09621	7.0
139.07585	0.9
142.07802	0.8
143.08533	3.0
145.02837	9.2
145.04932	1.4
145.06419	0.8
145.10124	7.4
146.03647	6.4
147.04405	3.3
147.08043	1.3
147.11693	9.4
148.05193	3.0
149.05983	2.3
149.09641	1.4
149.13243	1.5
151.03914	1.1
151.07590	0.8
151.11186	3.4
153.09084	1.4
154.46176	0.6
155.08559	1.7
156.09280	1.4
157.10146	5.6
159.08055	1.5
159.11694	9.2
161.09627	1.9
161.13255	3.9
163.03931	1.7
163.07617	1.0
163.11176	1.5
163.14803	3.8
165.09062	2.1
165.12727	0.9
167.07091	3.7
167.08362	0.8
169.10120	2.6
170.10895	1.0
171.11688	4.4
173.09697	1.2
173.13261	4.7
175.11157	0.9
175.14845	1.3
176.04665	4.1
177.05481	13.8
177.09090	1.2
179.10687	1.9
180.10873	0.7
181.04948	2.2
181.10107	0.7
181.12155	0.8
183.11684	4.0
185.09676	0.7
185.13278	3.2
187.11119	3.5
187.14810	3.6
189.09152	1.1
189.16405	2.4
191.07036	1.1
191.08644	0.8
191.10570	0.7
193.12350	1.0
195.11684	1.1
197.13303	3.6
199.11145	1.2
199.14833	2.8
201.12782	1.3
201.16393	2.4
203.10632	1.1
203.14386	0.9
205.08473	0.9
205.12227	2.0
205.15916	1.4
209.11630	0.9
211.11201	1.4
211.14844	2.7
213.16368	2.2
215.10634	1.4
215.14294	1.0
215.18042	1.3
217.12312	1.6
219.13727	0.9
221.13245	0.9
225.12907	0.9
227.17946	1.0
229.12225	2.1
229.15965	0.7
229.19597	0.7
231.13768	1.0
233.11821	0.6
239.14378	1.0
239.18005	3.4
243.13797	2.3
245.15524	0.7
253.15996	0.9
253.19527	2.8
255.17491	1.0
255.21001	0.7
257.15234	0.9
257.19098	3.0
257.63809	0.7
259.09708	1.5
259.16898	0.7
271.17236	0.7
271.20523	3.0
273.18481	0.7
275.20200	3.6
281.19019	4.1
289.21820	1.4
291.37723	0.8
299.20062	32.0
317.21121	100.0
318.21414	2.7
387.14389	0.8
453.36685	0.7
494.94827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01857	1.0
55.05496	2.2
56.75790	0.6
58.29354	0.7
59.04991	2.3
59.27075	0.7
67.05500	2.0
69.03423	2.8
69.07048	3.0
70.15508	3.5
71.04987	13.4
71.57038	0.9
73.06550	3.7
73.44619	0.7
79.05498	3.5
81.03416	3.8
81.06583	1.1
81.07056	17.7
83.04960	1.5
85.02895	2.2
89.03907	3.9
91.05471	2.9
93.07034	11.4
95.04978	1.4
95.08591	2.8
97.02886	8.5
97.06512	2.4
98.03214	1.2
99.04465	1.5
99.75615	0.7
101.35478	0.7
105.06995	1.2
107.08599	8.3
108.08968	0.8
109.02888	6.8
109.06548	0.7
109.10157	3.2
111.04422	1.5
111.08076	1.2
115.03930	0.9
117.03373	10.0
118.03694	0.9
119.08560	1.6
121.10107	0.8
122.10499	0.7
122.82473	0.7
124.99966	0.7
127.03922	6.7
133.02904	0.9
133.10150	1.0
135.04402	4.8
135.10677	1.4
135.11687	21.6
136.11972	1.0
137.05943	1.5
143.08580	0.9
145.02837	31.1
145.06538	0.7
146.03134	1.2
149.05991	4.9
153.12735	100.0
154.13020	1.5
163.03905	20.0
164.04250	7.0
167.07042	3.8
177.05461	69.5
178.05836	1.4
181.04958	1.7
186.05540	2.2
195.06552	6.1
221.15521	0.8
259.09683	2.6
304.05182	1.2
321.09552	1.1
325.09119	1.3
326.09650	1.1
346.72079	0.7
392.53378	0.8
425.10754	38.0
426.11081	1.8
458.83081	0.8
548.74823	0.7
576.27417	0.9
594.29968	1.2
612.31329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03716	1.3
51.13270	1.7
53.03944	1.4
55.01857	2.6
55.05509	17.0
57.03424	4.2
57.07079	2.6
67.05504	32.8
69.07066	12.3
69.76641	1.4
70.17038	5.6
71.05009	2.1
71.08617	3.3
71.10195	1.5
75.04463	1.2
76.98187	1.4
79.05485	21.6
81.07056	33.8
83.08614	7.9
91.05459	20.5
91.05927	1.7
93.07041	27.9
95.04955	4.2
95.08608	27.9
97.06543	3.0
97.10165	4.0
97.14296	1.4
99.71720	1.5
105.07030	24.0
107.08594	16.3
109.06544	1.7
109.10159	10.7
111.08083	1.7
113.09667	1.3
117.07018	12.0
119.08585	17.1
121.10149	10.2
123.11713	3.3
128.06252	1.7
129.06966	7.4
131.08578	17.5
133.10100	15.8
135.11707	7.6
137.13177	1.4
141.07014	3.2
142.07759	3.1
143.08546	11.7
145.10115	17.7
147.07997	1.7
147.11667	11.9
149.13274	4.0
155.08611	6.6
157.10182	10.2
159.11691	13.2
161.13280	6.2
169.10156	5.7
171.11713	10.7
173.13268	8.6
175.14877	4.1
181.10114	1.9
183.11702	4.8
185.13283	5.9
187.14857	4.7
195.11684	2.2
197.13319	5.4
199.14847	5.9
201.16449	1.9
205.79077	1.3
209.13274	3.6
211.14859	5.1
213.16476	3.0
215.18031	2.4
223.14879	2.9
229.19469	3.5
231.21060	1.7
241.19530	5.1
251.17807	1.8
259.20551	8.3
261.22241	1.8
315.23560	1.5
333.24234	7.6
335.25821	8.7
409.30472	2.7
519.41968	6.3
537.43250	3.4
555.42627	1.5
593.45856	7.1
611.46619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.05506	12.3
57.03432	5.2
57.07068	2.5
62.49352	1.3
65.03944	1.2
67.05167	2.4
67.05502	30.4
69.07064	10.2
70.07635	2.4
70.08042	5.6
71.04991	2.0
71.08638	2.1
74.23511	1.4
75.73005	1.1
79.05498	21.2
81.07056	31.0
83.04998	1.6
83.08620	6.0
91.05478	16.2
93.07044	24.4
95.04951	2.9
95.08604	24.3
97.06541	1.5
97.10191	2.0
99.08120	1.5
105.07030	16.3
107.08584	15.8
109.10152	10.7
109.25993	1.3
117.07005	9.4
119.08578	13.6
121.10154	12.9
123.08117	1.2
123.11736	3.3
128.06226	2.4
129.07014	5.4
131.08580	11.7
133.10138	16.0
135.11719	9.4
137.13370	1.3
139.11174	1.3
141.07019	1.9
141.51781	1.2
143.08569	7.2
145.10118	14.0
147.11697	13.2
149.13243	5.7
155.08565	4.8
157.10097	6.3
159.11673	14.1
161.13239	8.7
163.14828	2.2
169.10132	3.6
171.11696	11.5
173.13239	7.9
175.14890	3.6
179.14226	2.2
181.10133	1.9
183.11736	4.2
185.13246	7.4
187.14832	4.8
197.13332	2.6
199.14871	4.0
201.16409	2.1
209.13338	2.0
211.14922	1.6
213.16411	2.2
217.19594	1.4
223.14932	2.2
225.16679	1.7
227.17999	1.7
231.21053	1.6
239.17990	1.4
241.19594	7.0
243.21155	2.0
248.15160	1.3
257.19098	3.2
259.20517	12.3
261.22318	5.3
275.63986	1.4
277.21622	1.6
287.24075	1.4
315.23175	1.4
333.24216	7.1
335.25778	14.4
337.27493	2.1
382.45184	1.4
472.92993	1.5
513.35565	3.0
519.41730	6.2
523.37256	1.7
537.42969	4.6
541.38464	2.7
593.45569	9.4
611.46716	100.0
625.96588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.6
55.38985	2.0
57.03417	2.9
66.16693	2.2
67.05512	21.7
67.96080	2.1
69.07075	10.5
69.45889	6.3
69.46310	14.2
71.05033	1.8
73.53297	2.4
78.95516	2.0
79.05498	18.9
81.07065	30.9
83.08627	3.4
91.05458	15.6
93.07051	21.9
95.08609	21.8
95.55222	2.6
105.07027	18.2
107.08595	16.8
109.10159	11.4
113.03730	1.8
117.07025	10.1
119.08574	16.4
121.10127	10.6
123.11656	2.3
128.85469	2.2
129.07001	6.1
131.08592	10.9
133.10123	11.9
135.11757	6.1
136.66823	2.5
143.08586	4.4
145.10124	10.0
147.11693	14.5
149.13266	3.6
151.84703	2.1
155.08650	2.7
157.10188	8.6
159.11703	12.0
161.13283	7.1
163.14758	2.2
168.09462	2.3
169.10199	5.7
171.11742	6.3
173.13254	7.9
185.13383	6.8
187.14865	5.6
197.13287	4.1
201.16370	2.9
204.18204	2.0
209.13379	2.5
211.14905	3.9
213.16383	2.6
225.16751	2.2
227.18010	3.5
241.19606	6.2
259.20648	9.9
261.22128	2.9
291.82867	2.3
328.56876	2.1
333.24179	6.5
335.25876	10.8
391.33597	2.4
519.41992	4.9
593.45331	4.0
611.46692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67068	1.5
53.03941	2.2
55.01872	2.3
55.05512	16.1
57.03437	4.7
57.07075	3.7
65.03945	2.7
67.05505	42.8
69.07063	15.2
69.30844	3.6
69.31255	14.8
70.23563	1.8
71.08638	2.3
79.05492	27.6
79.10054	1.8
81.07056	38.5
83.04988	1.9
83.08605	6.9
91.05476	25.9
93.07048	31.9
95.04970	4.2
95.08606	32.9
97.06525	3.0
97.10160	4.0
105.07032	31.4
107.08599	17.7
109.10155	14.9
117.07026	11.4
119.08575	21.9
119.94978	1.5
121.10140	13.3
123.11723	5.9
129.07047	9.6
131.08565	19.4
133.10118	17.3
135.11673	10.1
137.09540	1.7
140.98309	1.5
143.08583	8.2
145.10127	19.2
147.11720	14.7
149.13303	6.4
155.08514	4.0
157.10086	10.8
159.11681	11.8
161.13251	8.3
169.10161	6.0
171.11665	10.9
173.13246	9.6
175.14734	3.5
181.10127	2.2
183.11696	7.0
185.13272	7.3
187.14894	4.7
195.11684	2.9
197.13330	4.7
199.14925	5.8
201.16374	2.0
209.13280	2.6
211.14922	2.7
213.16479	2.7
225.16386	2.1
227.18039	2.5
241.19582	6.8
243.21185	1.9
257.19019	2.7
259.20645	13.1
261.22220	4.0
277.21799	1.6
290.93060	2.1
333.24142	10.0
335.25931	13.9
367.86969	1.7
381.32162	1.9
435.98694	2.0
439.83475	2.1
519.41791	5.4
537.43494	3.5
555.20715	2.1
593.45380	8.2
611.46710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71288	4.6
55.05509	16.4
67.05508	26.7
69.07071	9.6
71.60661	6.6
71.61037	7.2
79.05492	19.5
81.07063	24.9
83.08643	7.3
91.05466	9.3
93.07072	25.7
95.08611	24.6
97.16503	4.9
105.07021	20.6
107.08600	14.2
109.10154	10.5
117.07093	7.3
119.08593	11.5
121.10141	9.9
129.07013	6.0
131.08627	10.7
133.10158	11.3
139.99640	4.8
143.08600	11.1
145.10155	8.9
147.11751	6.9
157.10123	10.4
169.10146	11.3
171.11717	9.2
180.33707	6.3
180.71768	5.0
183.11615	9.9
335.06546	6.1
494.58755	5.8
593.46027	5.6
611.38080	7.3
611.46869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03931	0.3
55.01867	0.3
57.03221	0.2
57.03439	1.8
61.02918	0.7
61.03503	0.2
65.54003	0.2
68.99783	0.3
69.03421	1.1
70.19858	0.2
71.04995	10.1
71.23369	0.5
73.02927	0.4
75.04472	0.5
81.03413	0.7
81.09543	0.2
83.04983	0.4
85.02905	14.0
85.79800	0.2
87.04463	0.5
97.02900	1.1
99.04485	0.3
109.02872	0.4
111.00766	0.6
111.04443	0.4
121.02887	0.5
122.22445	0.2
123.04433	0.3
127.03912	0.8
129.05479	2.9
137.02344	1.9
145.04979	0.8
147.06519	1.0
149.02400	0.3
153.01830	2.5
163.03944	0.3
165.01836	1.3
166.02650	0.3
183.02879	0.8
201.05501	1.0
229.04993	2.2
239.03326	0.3
247.06139	0.5
257.04376	1.8
274.04675	0.4
285.03958	1.2
288.24066	0.3
303.04996	100.0
304.05289	2.1
465.10245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Isorhamnetin 3-vicianoside
Peak:m/z	Relative Intensity
56.11119	0.3
57.03440	3.2
59.04992	0.8
69.03429	9.2
69.41604	2.7
71.04961	0.6
75.04487	0.7
77.24313	0.3
79.97500	0.2
81.03410	0.5
81.07059	0.7
85.02429	0.5
85.02910	7.8
87.04469	5.6
92.02610	0.6
93.03388	0.5
95.08620	0.4
95.12684	0.2
97.02899	6.7
99.04476	0.3
107.04961	0.3
109.02882	0.3
115.03933	5.7
120.08099	0.3
121.02868	0.8
127.03910	0.8
133.04968	6.1
137.13239	0.6
139.03920	0.8
145.04929	0.6
147.04402	0.4
147.29385	0.3
151.03899	0.7
153.01842	5.2
153.03085	0.2
159.75346	0.2
162.33968	0.3
163.03955	0.3
165.01860	0.4
177.05537	0.5
194.24866	0.3
201.05446	0.6
217.05026	0.7
228.04178	1.0
229.04987	2.2
231.02835	0.4
245.04437	1.1
246.05235	1.1
257.04495	2.7
260.03082	0.4
273.03976	1.2
274.04745	3.3
284.03369	0.6
285.03928	3.5
286.04721	0.4
287.05579	1.2
302.04242	10.5
303.04950	2.3
317.06567	100.0
318.06866	2.6
359.07513	0.7
479.12442	0.3
611.16681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1394
Annotation	56343-26-1
Peak:m/z	Relative Intensity
50.90516	0.2
53.03953	0.3
56.32852	0.2
59.53246	0.2
59.77911	0.2
64.96693	0.2
65.03931	0.8
69.03426	1.0
69.57343	1.6
71.04983	0.3
78.98306	0.2
79.49155	0.2
81.02975	0.3
81.03415	2.6
85.02909	1.1
87.69696	0.2
91.05478	7.6
95.04975	0.2
97.02879	0.5
98.21568	0.3
99.04436	0.3
107.08485	0.2
109.02880	1.0
112.32598	0.2
119.04945	21.4
120.05257	0.4
127.03921	0.6
137.02362	0.7
147.04408	100.0
148.04744	2.0
153.01759	0.9
153.65863	0.2
163.03940	2.0
165.01826	0.4
165.05460	3.6
167.07066	0.5
181.04973	0.2
201.05496	0.4
229.05009	0.8
257.04590	0.4
275.05505	0.2
285.03970	0.3
287.05536	0.5
291.08618	4.9
303.04993	16.3
304.05374	0.6
309.09692	2.8
407.17520	0.3
568.93884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77028	0.4
66.77489	0.5
69.76682	3.0
73.22723	0.5
83.13095	0.5
94.93008	1.9
136.93999	1.9
156.04233	4.3
162.81552	0.5
162.95551	1.0
166.13414	0.5
176.93533	3.1
178.95122	0.7
188.93449	0.9
200.07770	0.6
206.94557	1.4
268.94763	9.2
268.98248	100.0
269.98657	1.1
328.99655	0.6
347.00558	0.6
381.08044	7.0
402.36261	0.5
493.99805	0.5
629.27087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03938	0.4
57.03412	0.2
61.02947	0.2
62.37889	0.2
65.03929	1.0
69.03422	1.3
70.04817	1.0
70.06566	0.3
73.02888	0.3
79.05470	0.2
81.03419	2.9
81.07036	0.2
85.02940	1.0
91.05475	8.5
97.02876	0.6
103.51134	0.2
109.02853	1.3
116.07140	0.2
117.03358	0.2
119.04939	20.6
120.05233	0.3
127.03912	0.8
130.52217	0.2
135.04373	0.5
137.02312	0.7
145.02898	0.3
147.04402	100.0
148.04735	1.4
153.01822	0.8
163.03912	2.5
164.40024	0.2
165.01880	0.5
165.05490	3.3
167.07043	0.8
201.05463	0.3
221.07051	0.2
225.77356	0.2
229.05103	1.1
247.06213	0.2
257.04465	0.6
274.04697	0.3
285.03854	0.3
287.05505	1.0
291.08630	5.0
292.08890	0.2
303.04984	17.5
304.05222	0.3
309.09680	2.5
326.15353	0.2
330.49020	0.2
372.15375	0.3
407.17749	0.3
408.50995	0.2
466.82468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.1
55.05526	13.6
57.03425	2.5
67.05502	26.9
69.03416	7.1
69.07061	12.2
73.98457	1.9
79.05493	30.6
81.03432	13.7
81.07060	28.3
83.04974	3.2
83.08608	5.5
85.02897	3.9
91.05463	33.4
93.07039	87.9
95.04971	9.3
95.08603	26.8
97.02895	4.0
97.06546	4.8
105.07038	25.3
107.08588	100.0
109.02893	5.2
109.06510	4.0
109.10155	11.8
111.04439	2.4
117.07030	6.2
119.08534	12.1
121.06490	2.7
121.10131	12.7
121.72956	2.2
123.11669	5.3
126.21999	2.0
127.03934	2.9
129.06990	2.7
131.08534	12.9
133.10138	12.1
135.11694	52.6
143.08568	3.7
145.10123	6.6
147.11694	8.2
149.13330	2.6
150.57597	2.6
157.10149	4.7
159.11713	7.9
161.13229	4.9
163.14790	3.7
163.76398	2.0
165.12622	2.1
169.10114	2.4
171.11687	3.0
173.13260	5.9
175.14793	2.8
185.13275	2.8
187.14792	2.4
199.14952	3.4
210.76653	2.1
211.14879	3.1
263.83194	2.6
275.19989	3.9
276.20456	2.5
312.35712	2.4
355.07251	2.8
371.38458	2.7
387.25143	3.5
405.26593	2.9
610.27734	11.1
610.35632	2.9
610.45685	15.1
611.45343	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	610.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05503	1.4
67.05507	0.9
69.03424	2.6
69.07074	0.8
81.03422	1.9
81.07045	0.7
85.02907	2.2
87.00855	0.9
91.05480	3.0
93.07043	1.0
95.04954	0.8
95.08609	3.7
97.02892	100.0
98.03223	1.4
105.01879	1.6
105.03392	15.9
105.07025	1.6
107.08611	1.4
109.02894	2.0
109.10143	1.6
111.04457	1.8
119.08549	1.5
121.10192	1.3
121.20941	0.7
127.03899	2.7
133.10150	1.3
147.04396	0.8
159.11673	1.2
167.07010	0.9
173.13211	0.8
188.54437	0.7
191.07094	0.9
205.12256	0.7
219.06549	2.6
231.05025	1.2
231.13828	1.4
237.07582	5.5
283.20621	1.1
287.20187	1.0
301.21609	13.0
309.06400	0.8
322.11526	1.1
327.07068	1.1
345.08090	1.1
351.12338	1.0
352.12640	1.4
358.89148	0.7
446.49963	0.8
449.10925	1.3
467.11746	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
54.12552	1.5
55.05512	15.3
57.03429	2.7
58.36147	1.7
62.05621	1.8
65.03925	2.8
67.05508	28.4
68.15865	1.7
69.07066	13.3
69.37968	4.9
69.38392	12.5
76.93720	1.6
78.03224	1.7
79.01138	1.6
79.05488	20.7
81.07058	29.7
83.08611	8.8
85.06512	3.1
91.05467	19.4
93.07041	22.4
95.04951	2.5
95.08605	25.2
97.06521	3.6
97.10152	3.6
98.21485	3.1
105.07034	20.0
107.08585	15.7
109.10157	8.1
117.07013	11.9
119.08582	14.6
121.10126	9.4
129.06981	10.9
131.08575	16.9
133.10124	11.8
133.62019	1.9
135.11697	6.7
141.06995	4.5
143.08559	11.8
145.10126	14.7
147.11726	7.4
149.13303	4.3
155.08583	10.4
157.10136	15.8
159.11681	12.8
161.13286	4.4
167.08572	5.3
169.10121	13.2
171.11711	13.9
173.13272	6.2
175.14841	4.2
179.66385	1.8
181.10155	7.2
183.11682	12.5
185.13239	11.6
187.14830	3.5
193.10059	1.7
195.11676	8.6
197.13240	10.4
199.14822	5.6
201.16547	2.7
207.11578	2.6
209.13255	8.0
211.14819	5.6
213.16441	3.2
215.17976	2.2
223.14897	4.5
225.16484	4.2
227.18060	2.6
235.14915	2.8
237.16446	3.4
239.17970	5.1
241.19701	2.6
251.17993	2.7
263.17935	2.3
275.20227	2.9
351.26529	2.4
361.25195	2.0
517.40546	9.3
535.41547	6.0
591.44250	9.8
609.28381	11.3
609.45123	100.0
610.45862	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4519
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03935	1.4
55.01886	0.8
55.05515	10.6
57.03436	3.4
57.07076	1.7
65.03952	0.9
67.05505	19.0
69.07069	8.7
70.50967	2.4
71.08641	1.0
79.05495	11.5
81.07061	19.6
83.04999	1.2
83.08627	6.4
85.06552	0.9
87.34789	0.8
90.43700	0.8
90.75227	0.8
91.05472	10.1
91.05911	0.8
93.07050	13.6
95.04990	1.9
95.08613	15.6
97.06544	2.2
97.10171	3.0
99.08083	1.0
105.07029	11.1
107.08593	9.1
109.06544	0.8
109.10166	7.0
111.11696	1.0
115.05507	0.9
117.07038	6.5
119.08594	9.9
121.10161	5.3
123.08052	0.9
123.11716	2.0
125.09624	0.8
128.06187	1.9
129.07004	7.4
131.07722	1.0
131.08595	8.6
133.10149	8.2
135.08046	1.1
135.11703	3.6
137.09647	0.9
137.13260	1.0
141.07008	3.9
142.07794	2.3
143.08553	11.4
145.10100	13.4
147.11700	4.0
149.13284	2.3
154.07843	0.9
155.08562	7.0
157.10135	10.1
159.11693	7.9
161.13272	2.6
166.07793	1.0
167.08586	3.2
168.09344	1.2
169.10123	11.0
171.11707	8.6
173.13290	4.7
175.14864	1.9
179.08536	1.6
180.09264	1.2
181.10092	6.5
182.10852	1.1
183.11720	12.1
185.13260	7.6
187.14833	3.8
193.10156	2.1
195.11714	6.4
197.13271	9.9
198.13846	0.8
199.14830	4.6
201.16492	1.9
205.10397	0.9
207.11783	3.5
209.13289	6.9
211.14870	5.4
213.16476	2.8
215.17877	1.0
221.13339	2.6
223.14883	3.2
225.16338	4.2
227.17982	2.4
235.14783	1.8
237.16403	2.3
239.17970	1.9
241.19676	2.1
249.16345	1.5
251.17993	1.7
253.19562	1.9
257.19043	1.3
259.20746	0.8
261.22073	1.0
263.17883	1.1
267.20938	1.3
316.02673	0.8
321.22293	1.0
325.25574	1.1
333.24948	0.8
335.25803	1.6
337.25452	1.4
351.23074	1.4
351.27002	1.2
363.26938	1.4
365.28647	1.4
367.26474	1.1
379.26218	1.0
407.29028	1.2
447.32162	1.8
449.34064	1.1
471.98477	0.9
499.39606	1.6
517.40479	9.8
523.37109	0.9
525.35870	1.3
535.41650	4.8
539.37183	1.0
573.43365	1.4
591.43964	12.4
609.45129	100.0
610.45459	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	609.4518
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03947	2.1
55.01873	1.5
55.05513	11.6
56.14611	0.6
56.96549	1.5
57.03444	3.7
57.07066	1.3
58.19250	0.6
59.98490	0.7
65.03934	1.2
67.05509	22.8
69.03452	0.9
69.07074	11.6
71.05003	0.9
71.59436	0.8
71.59832	0.8
79.05494	11.4
81.07064	22.1
83.04981	0.9
83.08611	5.7
85.06560	1.3
91.05484	10.6
93.07053	15.3
95.04991	2.5
95.08611	18.6
97.06555	1.4
97.10162	3.8
99.08049	0.8
105.07033	11.9
107.08601	9.8
109.10149	8.2
111.08096	2.3
115.05485	1.1
117.07027	7.9
119.08595	11.6
121.10149	7.4
123.08074	1.1
123.11739	2.6
125.09602	1.1
128.06255	1.9
128.26805	0.7
129.07031	8.4
131.08575	12.5
131.09520	1.0
133.10135	10.3
135.11705	4.4
137.13271	0.9
141.06984	4.1
142.07819	3.0
143.08574	10.7
145.06517	0.7
145.10133	13.5
147.11690	5.5
149.09752	1.3
149.13293	2.5
153.07011	1.6
154.07797	1.5
155.08554	9.6
155.09702	0.9
157.10144	11.0
158.10785	0.7
158.14958	0.7
159.11674	7.9
159.90021	0.6
161.13310	3.3
163.14874	0.6
167.08595	3.9
168.09354	1.2
169.10133	14.2
171.11737	10.3
173.13289	5.5
175.02815	1.4
175.14850	1.6
179.08626	2.3
181.10138	7.4
182.10863	1.0
183.11688	12.1
184.12563	0.9
185.13293	7.2
186.84723	0.6
187.14780	3.4
189.16388	1.5
193.03999	0.8
193.10172	2.9
195.11691	7.1
197.13275	10.3
199.14857	5.1
201.12938	0.8
201.16431	1.5
203.18071	1.4
205.10052	0.9
207.11748	2.5
209.13293	6.9
209.32104	0.7
211.14841	7.4
213.16469	3.9
221.13368	2.3
223.14795	4.7
225.16431	5.1
227.18069	2.4
230.89651	0.6
235.14912	2.3
237.16479	3.5
239.17865	3.1
241.19759	1.6
243.21132	0.8
247.14900	1.2
249.16479	2.1
251.17969	2.0
253.19601	1.2
257.19150	1.5
259.20609	0.7
263.17911	0.7
265.19489	1.6
275.20117	2.0
277.16678	0.7
277.19589	1.3
297.22287	0.9
305.22824	0.7
307.20850	0.9
313.25015	1.0
321.22128	0.8
323.23822	1.1
329.70663	0.7
335.23590	0.8
337.25369	1.9
341.25177	0.8
349.25296	1.0
351.26947	2.0
355.25928	0.7
363.27020	1.1
365.28482	1.9
367.26477	1.1
375.26126	0.8
379.30069	1.1
389.28168	0.7
391.30048	1.1
400.50116	0.6
407.29236	0.8
424.79779	0.7
447.32086	0.9
461.34311	0.9
485.32928	0.7
499.39749	1.0
517.40576	12.1
521.36749	0.8
535.41699	5.1
539.37384	1.6
553.42657	0.8
555.42303	0.8
573.43060	0.9
591.43945	11.9
609.45178	100.0
610.28180	0.9
610.45294	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	609.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32566	0.9
55.01860	0.9
55.05506	2.5
57.07077	4.5
64.25137	0.8
65.03931	1.4
67.05170	1.1
67.05510	9.9
67.14649	0.8
69.03424	2.0
69.07067	13.4
71.05006	1.5
71.08616	1.3
79.05495	7.1
80.94556	0.9
81.03441	0.9
81.07059	100.0
83.08629	2.9
85.02911	2.4
85.06555	2.5
86.09735	1.0
91.05472	2.3
93.07050	5.3
95.08612	54.7
97.02894	2.5
97.06520	1.4
97.10165	1.9
98.98476	5.5
99.08076	7.0
103.05472	1.1
105.07046	1.3
107.04934	2.1
107.08587	10.0
109.02882	1.9
109.10162	5.0
111.04431	1.1
111.08095	3.6
117.03396	1.2
117.99763	1.0
119.04892	1.0
119.08529	0.9
121.02857	1.2
121.10144	15.5
123.04420	1.3
125.09624	2.5
127.03894	2.7
131.04840	1.2
131.08592	1.9
135.11687	4.2
137.06046	1.4
137.13263	59.7
145.02843	1.7
147.04440	1.5
149.05931	1.2
149.09647	1.2
149.13242	1.2
161.07153	1.1
163.03920	1.3
167.07091	2.3
172.95221	1.1
174.06700	1.5
177.05489	3.5
177.16396	46.3
181.04953	3.2
189.09135	1.9
191.07027	1.3
195.17429	11.0
201.09117	1.2
213.11230	4.1
213.18500	31.2
219.10152	8.1
235.10970	11.1
271.97943	1.0
326.85245	0.9
377.06598	1.6
395.76401	0.8
405.05927	2.2
427.70166	1.0
435.10660	1.3
447.07053	1.8
609.22565	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
57.41847	0.4
59.82243	0.4
67.05505	1.1
69.07059	0.5
71.03422	1.0
71.03765	0.6
78.99177	0.4
79.05496	0.9
81.07058	0.9
91.05486	0.9
93.07097	0.8
94.37518	0.5
95.08640	0.6
117.07049	0.5
124.56310	0.4
141.27658	0.6
141.62378	0.4
174.88214	0.4
209.10925	0.6
223.09579	0.5
342.44711	0.5
377.17838	0.8
388.18527	0.5
389.18378	0.6
390.18747	1.0
391.19287	1.7
392.19897	0.9
393.20612	0.6
401.17557	0.7
404.20148	1.0
405.21017	2.5
406.21738	2.1
407.22079	2.3
414.18753	0.8
414.76715	0.5
415.19254	1.5
417.21289	0.6
419.18005	0.9
419.22845	1.0
420.23135	0.8
421.23978	4.5
429.21039	2.6
430.22058	1.2
431.22894	1.2
432.19553	0.8
433.20218	1.1
433.25037	0.8
443.22510	0.9
444.22955	1.4
445.20309	0.7
446.21133	0.9
447.17377	2.1
449.23529	0.9
456.19235	0.5
457.23956	1.9
458.25208	0.6
459.21475	2.9
460.22964	1.4
461.19318	5.0
462.20242	1.2
463.21426	1.5
470.21246	0.7
471.18265	0.6
472.22629	1.1
473.19412	0.7
474.20001	0.8
475.20810	6.6
476.21481	5.1
477.22360	4.2
478.23926	1.1
479.24774	0.8
485.23715	9.5
486.20007	3.5
487.25723	0.7
488.22235	1.0
489.22968	5.0
493.21906	0.6
494.26898	1.3
497.23413	0.7
499.21274	2.9
500.22073	1.2
503.24500	5.5
504.25012	0.8
507.24152	0.7
513.22870	1.5
515.24475	10.9
517.22241	0.6
521.26141	2.6
531.23938	15.5
532.24414	0.5
533.25037	0.5
535.23187	0.5
541.22150	1.2
548.23889	0.9
549.25165	2.4
550.25903	5.0
559.23370	6.8
564.65765	0.6
577.24524	1.0
591.26031	28.3
592.26801	0.7
609.27087	100.0
609.44507	2.4
610.27478	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	609.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61108	0.4
55.05516	0.7
57.03436	0.4
58.56512	0.4
58.77087	0.4
60.12076	0.4
63.13547	0.4
63.64939	0.4
67.05503	2.0
68.34398	0.4
69.07069	1.0
71.37105	0.7
77.91001	0.4
79.05498	2.1
81.07065	2.3
91.05473	1.2
93.07064	2.0
95.08603	1.7
105.07030	1.2
107.08613	1.8
109.57484	0.4
117.06960	0.5
119.08559	0.7
121.10114	0.8
129.06981	0.5
133.10124	0.6
143.08545	0.5
145.10133	1.3
147.11728	0.7
155.95299	0.5
157.10182	0.5
173.13348	0.6
175.25316	0.4
211.12340	0.5
239.15456	0.6
251.15514	0.6
257.19058	0.7
275.20132	2.0
282.49640	0.4
376.17288	0.5
377.17468	0.7
378.18597	0.6
389.18591	0.5
390.19064	0.5
391.19254	1.4
392.20044	0.9
401.17682	0.6
401.47528	0.5
402.18655	0.5
404.20502	0.7
405.20856	2.7
406.21713	1.4
407.22281	2.1
415.19354	1.4
416.20645	0.5
419.18265	0.7
419.22998	0.5
420.23361	0.7
421.23819	3.1
422.24609	0.5
427.19342	0.6
429.20901	2.0
430.21811	1.0
432.19540	0.6
433.20392	1.5
444.23639	0.6
445.20352	0.9
447.18173	1.8
449.23511	0.7
452.21722	0.5
457.23816	1.5
459.21790	2.3
460.22638	1.5
461.19220	4.8
462.20325	2.1
463.21301	1.3
470.20975	0.4
472.22806	1.1
473.19089	0.6
474.20181	0.8
475.21231	7.3
476.21927	5.9
477.22507	4.7
485.23627	7.1
486.20044	2.6
487.25055	0.5
488.22290	1.1
489.22861	5.1
493.26822	0.6
494.26730	0.9
497.23584	0.8
499.21307	3.4
500.22147	1.2
503.24594	7.9
504.21558	0.8
504.25143	0.5
505.22586	0.4
507.23981	0.5
513.22821	1.1
515.24316	5.4
516.93689	0.5
517.22626	1.6
518.23035	0.7
521.26208	3.2
531.23889	9.8
532.24493	0.6
533.25800	0.8
535.23749	1.2
548.23859	0.7
549.24756	2.3
550.25793	4.9
559.23297	5.1
563.26550	1.6
577.24548	2.2
591.26013	10.4
609.27094	100.0
609.44830	5.1
610.27246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.01867	4.6
55.05508	12.1
55.63578	1.9
57.03440	2.3
57.07070	7.2
59.04996	7.0
67.05502	17.6
69.03438	10.7
69.07070	45.0
70.59211	6.0
71.04995	5.0
71.08633	3.6
79.05498	12.1
81.03439	4.5
81.07056	67.9
83.04986	5.3
83.08616	21.5
85.02892	10.3
85.06547	5.3
87.00803	1.9
87.04507	1.8
91.05476	13.6
93.07044	91.7
95.04967	20.5
95.08607	66.5
97.02889	6.4
97.06516	10.2
97.10178	7.8
99.04490	2.5
105.01921	2.5
105.07021	16.1
107.08591	26.4
109.02884	3.4
109.06547	5.3
109.10150	35.2
111.08071	13.4
111.11742	5.5
111.63912	1.8
119.08574	12.1
121.06478	1.9
121.10139	35.2
123.08057	3.8
123.11712	25.4
125.09608	3.9
127.03930	5.0
131.08577	2.7
133.10129	7.7
135.08159	2.3
135.11690	22.4
137.09633	3.7
137.13235	16.9
139.11177	7.7
145.02838	3.0
145.04959	2.4
145.10103	6.6
147.11687	11.1
149.09598	2.9
149.13266	28.6
151.11221	3.4
153.12703	3.1
159.11717	8.3
161.13303	9.8
163.03926	8.6
163.11148	3.6
163.14818	8.1
167.07118	3.5
167.14337	4.1
173.13301	5.3
175.14871	8.0
177.05469	3.1
177.12811	2.9
177.16425	6.6
181.05019	2.7
184.66815	2.0
185.15363	5.3
185.34055	1.9
187.14864	3.5
189.16357	3.8
191.18062	2.2
195.17532	2.7
201.16443	4.0
205.19582	3.9
209.18970	3.6
214.17987	1.8
215.17984	4.1
219.21127	3.4
231.21132	10.9
249.22092	3.8
259.09793	3.1
271.24216	20.6
277.25351	4.6
289.25259	52.5
295.26233	14.1
307.26315	100.0
325.27368	51.9
361.19754	2.1
519.29791	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	607.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01858	0.8
55.05505	2.8
56.96571	0.7
57.07070	2.0
59.05002	1.0
67.05511	5.8
69.03435	4.7
69.03745	0.9
69.07072	6.5
70.06616	1.2
71.04990	2.0
72.08146	1.3
72.45480	0.7
79.05486	1.9
81.03413	1.1
81.07061	30.9
83.04975	5.7
83.08619	2.6
85.02901	4.5
85.06530	1.6
86.09718	1.5
91.05474	3.2
91.52586	0.7
93.07065	4.3
95.06086	0.8
95.08611	24.7
96.90428	0.8
97.02895	3.6
98.21544	1.2
99.08096	1.7
103.05461	0.8
105.07024	2.2
107.08590	8.6
109.06538	4.2
109.10157	42.5
111.08104	1.1
113.07101	0.8
117.03365	1.1
119.04975	1.4
119.08584	12.8
120.08070	1.0
121.10138	4.9
123.08087	5.3
123.11697	5.1
125.09558	0.9
127.03893	3.8
131.04971	1.6
133.10138	9.1
135.04424	2.4
135.11696	40.4
137.05984	31.6
137.09627	7.0
137.13254	13.3
138.06329	1.0
145.02809	1.2
145.05109	0.9
147.04391	2.1
149.13235	3.1
151.11201	3.8
151.14810	6.0
153.12766	2.0
159.02956	0.7
160.05194	0.8
161.05930	1.1
163.03906	12.5
163.52769	0.7
165.16396	0.9
167.07100	1.2
172.95192	1.1
175.07542	3.3
175.14835	18.0
177.05484	0.9
179.07074	2.1
181.08623	2.3
187.07571	0.9
192.45876	0.7
193.15895	22.9
200.92665	0.8
211.16936	100.0
229.70731	0.9
235.10934	2.6
259.28885	0.8
259.44321	0.9
291.06857	0.9
291.09897	0.9
325.08893	0.7
356.12866	0.7
373.14078	1.4
411.10370	0.8
471.30685	0.8
552.54352	0.8
607.25409	2.1
607.35547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26129	1.3
85.88702	0.5
110.01115	0.5
134.45114	0.6
209.10831	0.9
221.10637	0.7
237.13820	0.8
246.98512	0.7
286.13562	0.6
298.13458	0.7
300.15289	0.5
338.16687	0.8
361.15372	0.6
373.14340	1.0
387.16180	2.4
388.16925	2.3
389.17517	4.6
390.18958	1.1
391.19586	0.7
400.17880	0.7
401.17773	2.3
402.18286	5.1
403.19287	13.5
404.20047	4.0
405.20972	5.9
415.19720	3.6
416.15247	1.0
416.20471	4.9
417.16876	3.4
417.21329	16.9
418.17096	0.7
418.21722	10.0
419.22372	13.4
420.22888	0.8
421.24057	0.6
429.16251	0.8
429.20944	1.7
430.17886	4.2
430.22256	2.1
431.18048	28.5
431.23389	3.9
432.18442	5.8
432.23770	2.6
433.24023	29.9
434.24704	2.3
443.18304	1.2
444.19388	2.5
445.19791	39.4
446.20715	14.4
447.21658	9.5
449.23526	1.1
457.20007	1.7
458.21106	1.7
459.21335	12.8
460.22531	17.5
461.23297	14.1
462.20493	1.6
473.23849	6.9
474.24329	1.0
475.21201	1.3
477.22586	1.3
487.25241	1.1
489.23029	1.9
491.24435	1.2
505.22491	2.5
519.24121	1.2
532.24390	0.7
547.27026	31.8
548.27972	0.8
575.26587	0.9
579.30237	0.7
607.29120	100.0
608.29181	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2914
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
56.89077	0.5
70.08862	2.4
71.05702	0.5
72.67413	0.4
74.89747	0.4
75.48441	0.5
76.50558	0.4
96.57072	0.5
98.21418	0.5
100.85909	0.4
107.39735	0.5
193.72527	0.5
311.23132	0.5
324.99469	0.5
389.17773	1.5
402.18604	0.8
403.19180	3.8
404.20499	1.0
405.20862	1.7
416.20499	0.8
417.16306	0.9
417.21448	4.6
418.21616	1.7
419.22379	4.5
430.17514	1.1
431.18250	10.6
432.18594	2.6
432.24380	0.9
433.19028	0.8
433.24106	9.4
434.24835	1.1
444.19122	0.7
445.19888	11.1
446.20868	6.5
447.21844	6.6
459.21597	6.5
460.22556	16.9
461.23410	17.1
462.24237	0.7
473.23633	4.4
474.24002	1.6
477.23190	0.7
487.25018	2.3
488.26282	0.6
491.21902	0.6
492.25217	1.6
505.21545	3.2
506.26831	0.8
515.24707	0.9
518.23468	0.6
519.24158	2.7
520.24890	0.6
532.24719	1.4
533.25586	0.7
547.27063	44.9
548.27087	1.4
549.24683	0.6
575.26422	1.9
578.25275	1.0
579.29486	1.2
607.29150	100.0
608.29578	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	607.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91955	0.5
53.03933	0.5
55.05507	3.2
55.94407	0.4
57.07067	2.2
57.43454	0.4
59.05008	0.6
59.81891	0.4
61.54213	0.5
64.58241	0.5
65.03936	0.5
67.05511	7.0
69.03429	2.6
69.07074	6.5
69.87024	0.9
69.87440	1.8
70.06575	0.5
71.04986	1.2
79.05494	1.8
81.07062	31.2
82.07399	1.1
83.04977	4.3
83.08605	2.0
85.02902	1.2
85.06541	1.9
91.05502	1.0
93.07050	2.8
95.08610	23.9
97.06492	0.7
97.10158	1.1
98.98466	1.3
99.08095	1.4
105.07029	1.8
107.08606	8.0
109.06528	3.8
109.10166	42.2
111.08065	1.3
113.09648	0.8
119.08588	13.0
121.10165	5.3
123.08088	6.0
123.11710	3.9
127.33966	0.5
133.09236	0.7
133.10150	9.4
134.10477	0.6
135.11699	38.3
137.06023	0.6
137.09624	11.2
137.13257	12.1
139.11198	1.2
148.81458	0.4
149.13263	3.6
151.11183	4.1
151.14822	6.2
153.12735	1.6
162.90642	0.5
165.16389	1.0
175.14844	17.1
191.14301	0.6
192.14615	1.0
193.15897	25.6
211.16946	100.0
212.17252	0.9
235.11005	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
58.55516	0.3
67.05503	0.4
69.49888	2.7
73.65737	0.4
88.38410	0.3
94.06595	0.3
127.85577	0.4
135.83302	0.3
374.15640	0.6
375.16049	0.8
380.48221	0.4
388.16876	0.7
389.17780	2.6
390.18521	1.1
391.19421	0.9
402.18665	0.8
403.15527	0.5
403.19495	4.5
404.20218	1.8
405.20755	3.5
407.22162	0.5
415.19504	0.7
416.16382	1.2
417.16238	4.0
417.21249	2.0
418.21680	1.2
419.22516	6.0
420.22995	1.3
430.17847	0.6
431.18246	7.1
432.19089	3.6
433.20203	2.9
445.20129	4.9
446.21048	7.1
447.21863	7.6
459.22205	1.4
460.18600	0.6
461.19418	1.7
462.24683	0.4
473.19144	0.7
473.24338	0.5
474.20416	4.9
475.20972	4.0
478.23856	1.0
487.21817	1.8
490.23972	0.6
491.20123	2.6
501.22864	1.0
505.22629	0.7
519.24109	15.6
520.24438	1.1
529.21930	0.4
547.23468	14.0
548.24207	0.5
579.26038	5.5
607.25549	100.0
608.25885	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	607.2555
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
56.21511	0.3
67.05437	0.4
69.40923	0.8
69.41331	2.3
73.39943	0.3
74.13079	0.3
79.05402	0.4
81.06962	0.7
84.04395	0.4
91.05372	0.5
93.06948	0.4
98.20664	0.6
105.06961	0.6
109.10038	0.6
119.08494	0.6
121.10031	0.4
131.08490	0.4
143.36702	0.3
144.01091	0.4
144.06410	0.5
145.09969	0.4
152.88376	0.4
182.67151	0.3
219.17264	0.3
223.12138	0.3
235.12320	0.3
250.41512	0.3
252.90977	0.3
275.19910	0.4
310.13449	0.3
354.16132	0.3
368.27597	0.4
374.15433	0.5
375.16125	0.5
376.17612	0.4
386.16089	0.5
387.15927	0.8
388.16867	1.2
389.17749	3.2
390.18314	1.3
391.19128	0.9
401.18085	0.5
402.14029	0.5
402.18594	1.1
403.19424	5.5
404.20068	2.1
405.20605	2.3
416.15900	1.5
417.16010	3.8
417.20929	2.7
418.16959	0.5
418.21527	1.1
419.17630	0.5
419.22406	6.3
420.23038	1.0
429.16965	0.7
430.17703	1.0
431.18213	7.9
431.23413	0.7
432.19315	2.9
433.20279	2.0
443.18530	0.7
444.19574	0.5
445.20242	6.1
446.21060	6.1
447.21704	8.7
448.22470	0.9
457.20303	0.4
459.17578	1.5
459.22070	1.7
460.18784	1.0
461.19537	1.8
463.25159	1.0
473.19464	1.2
473.24438	0.5
474.20459	10.5
475.21216	10.3
476.21643	0.9
477.23251	0.4
478.23691	0.7
487.21216	2.3
488.22049	0.8
490.24307	1.8
491.20547	1.6
491.25375	1.0
501.22870	1.5
503.24762	0.6
505.22137	0.5
506.23050	0.4
518.23175	0.5
519.24127	12.0
520.24976	0.8
529.22455	0.5
547.23431	61.4
548.23816	2.2
561.25134	0.9
579.25891	3.5
580.26453	0.4
589.24170	0.8
607.25543	100.0
608.25812	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2553
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.18637	0.5
69.92856	2.0
98.21531	0.4
124.59541	0.4
144.40997	0.4
161.13280	0.4
200.04082	0.4
375.16452	0.5
387.67642	0.4
389.17413	1.9
390.18442	0.5
391.19205	0.7
401.17999	0.7
402.18759	0.6
403.19379	3.7
404.20074	1.1
405.20752	2.2
406.21722	0.4
416.15997	0.7
417.17145	3.0
417.21198	1.7
418.22018	0.8
419.22391	4.9
420.23059	0.9
430.17636	1.1
431.18436	7.0
432.19046	2.5
433.20306	3.6
445.20087	3.7
446.21082	6.1
447.21805	6.9
448.22543	0.7
459.21838	1.7
460.18387	0.6
461.19894	1.2
463.25824	0.5
473.24103	0.8
474.20438	3.7
475.21027	4.3
477.22845	0.7
478.23682	1.0
487.21307	1.2
488.21844	0.5
491.20004	2.1
501.23215	0.7
504.21545	0.6
505.22153	1.1
506.22842	0.8
519.24036	15.6
520.24249	0.9
547.23425	13.6
548.23541	0.8
550.50598	0.4
564.23206	0.5
579.25867	5.0
607.25543	100.0
608.25867	6.2
612.66602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01868	2.3
57.03433	1.7
57.31927	0.5
61.02916	1.2
67.05484	0.7
68.99789	1.5
69.03430	7.4
69.52835	1.5
69.53260	2.0
71.04992	4.3
73.02905	1.4
81.03422	8.1
85.02905	20.8
87.00828	7.1
93.07038	0.5
93.58461	0.5
95.04946	1.8
97.02893	8.2
99.04455	2.8
102.25716	0.5
103.03924	0.6
103.63329	0.4
105.01871	7.2
105.07041	0.6
107.04898	0.5
109.02893	6.6
109.06531	1.0
111.08060	0.6
113.06015	2.9
115.03874	0.5
116.98563	0.5
117.01843	0.8
123.04430	18.2
127.03920	14.2
129.01863	0.6
129.06946	0.6
133.05414	0.5
133.06461	1.0
137.05984	1.0
139.03899	3.1
145.04953	4.9
147.02902	1.2
147.04396	3.8
147.08054	1.5
151.03899	1.8
151.07559	7.0
155.03419	4.2
155.07024	0.8
157.47821	0.4
158.83980	0.5
159.02872	3.4
161.06059	2.2
163.03917	0.6
173.08066	0.7
175.07620	3.4
175.22049	0.4
176.08305	0.7
177.05385	0.6
179.07047	20.1
180.07341	0.6
189.03844	1.2
189.05443	1.1
189.09030	0.6
191.07054	1.8
193.04958	0.8
193.08525	0.5
197.08099	100.0
198.08459	0.8
203.06978	3.3
209.08081	3.8
209.53902	0.4
213.04005	0.6
215.07169	0.7
217.04976	1.9
217.08496	0.6
221.08099	11.0
231.04901	2.7
233.08047	0.6
235.05974	1.3
235.09650	0.7
239.09122	11.2
241.08704	0.6
245.08336	0.8
257.07941	0.7
259.09631	0.9
263.09155	10.6
269.08170	1.0
275.09195	1.3
287.09198	3.3
293.10217	1.0
305.10184	6.8
323.11130	1.6
329.09885	0.6
341.12411	4.5
359.13437	2.2
391.10336	0.6
409.11517	0.7
427.11847	1.1
445.13461	0.8
578.32281	0.5
607.17328	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1655
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside
Peak:m/z	Relative Intensity
55.01861	0.4
57.03416	0.6
61.02908	0.3
68.99804	0.4
69.03432	14.1
69.45550	1.1
69.45956	0.5
70.06594	0.5
71.04991	0.4
72.08148	0.2
79.05466	0.3
81.07050	0.2
85.02909	4.0
86.09689	0.5
89.75994	0.2
95.08582	0.2
97.02895	11.8
98.21479	0.4
98.53900	0.2
109.02869	0.3
111.00795	0.6
111.04446	0.3
115.03931	7.8
121.02865	1.7
127.03866	0.3
129.05420	0.3
133.02846	0.5
137.02353	0.5
137.05962	0.3
143.34769	0.2
147.04425	0.6
152.41878	0.2
153.01804	2.1
157.04950	0.8
157.06454	0.2
163.03850	0.3
165.01804	1.3
167.07205	0.2
175.06029	4.2
183.02878	0.8
184.26073	0.2
185.05942	0.3
213.05424	0.9
231.06467	0.4
241.04977	0.8
258.05206	0.6
287.05496	100.0
288.05829	1.0
299.05469	0.3
331.13684	0.2
433.11368	5.9
461.10739	0.4
463.27686	0.2
565.16199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
60.04510	1.0
69.03410	2.8
70.33115	3.2
79.05448	0.7
81.03408	5.2
81.07059	1.2
85.02905	2.9
89.03914	4.7
97.02884	5.9
99.04429	2.5
109.02883	6.7
109.10080	0.9
114.51897	0.9
117.03387	15.0
127.03928	7.3
134.03616	1.1
135.04352	1.2
139.03975	0.8
141.34427	0.9
145.02844	50.5
147.04414	1.2
149.05946	6.1
163.03897	1.5
177.05473	100.0
178.05803	0.8
186.05508	2.7
195.06538	7.3
233.79230	0.9
321.09695	2.1
389.55048	1.1
393.74182	0.8
407.09799	1.2
425.10797	44.8
444.32962	2.0
474.87820	1.1
527.30566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.05521	2.4
57.07076	4.2
65.03954	1.1
65.24429	0.6
67.05508	11.4
69.03426	4.0
69.07071	12.5
70.06593	1.8
70.73249	1.0
70.73600	1.6
71.04991	0.9
71.08647	1.4
79.05495	9.4
81.07061	100.0
82.07397	1.5
83.08636	0.7
85.02914	1.1
86.09710	0.6
88.11857	0.5
91.05461	3.7
93.07059	3.7
95.04985	0.7
95.08611	46.0
96.08976	1.1
97.02894	2.4
98.12109	0.5
98.98460	3.5
103.08730	0.6
105.07050	3.2
107.04961	1.4
107.08596	11.5
109.06518	7.4
109.10152	7.2
109.10822	0.7
115.05459	0.7
116.45650	0.6
117.07034	2.4
119.04986	0.8
119.08627	1.8
119.74477	0.6
121.06560	0.8
121.10152	8.6
122.07323	1.6
122.24850	0.5
123.08062	1.2
131.08557	1.5
133.10135	87.4
134.10461	0.9
135.08061	11.8
135.11682	1.3
136.93095	1.5
137.09624	47.8
137.13257	43.4
138.13576	1.1
145.10204	1.0
147.04410	2.2
147.11714	1.6
149.13260	12.2
151.11174	0.8
154.94174	3.3
156.97485	1.0
163.14845	1.7
172.95247	14.3
173.13274	6.9
174.98511	1.0
190.96309	9.9
191.14314	63.9
192.14648	0.8
195.96834	1.3
209.15376	40.6
213.97870	0.7
234.90887	1.1
235.10954	5.7
252.91905	9.0
270.92889	13.6
275.08963	2.5
275.93539	1.2
291.06747	3.6
293.94589	1.3
309.07700	1.6
371.03323	15.0
371.13162	2.6
389.04443	6.6
412.05988	2.4
507.15881	11.6
508.16302	1.1
525.16400	1.2
561.22870	3.0
605.13464	1.3
605.23126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05508	2.2
56.96558	1.3
57.07081	3.6
62.74094	0.7
65.03922	0.8
67.05507	7.0
69.03432	4.3
69.07072	10.0
70.95177	0.7
71.04978	0.6
71.08637	1.4
71.59297	1.2
79.05498	8.0
81.03396	0.9
81.07059	86.3
82.07430	0.7
83.04953	0.9
83.08611	1.2
85.02872	0.9
91.05472	3.9
93.07043	3.6
95.04942	1.2
95.08611	41.7
97.02908	1.5
98.97566	1.7
98.98447	3.7
105.07042	3.5
107.04949	1.9
107.08593	11.8
109.06540	4.8
109.10163	7.3
116.98631	1.7
117.07014	1.4
118.08633	1.5
119.08585	1.9
121.06541	0.9
121.10152	9.2
122.07277	2.1
126.13540	0.7
131.08585	1.4
133.10135	100.0
135.08057	10.6
135.11699	1.5
137.09625	62.1
137.13260	49.3
145.10081	0.9
146.99663	0.8
147.04408	1.3
147.11679	2.1
149.13289	8.4
154.94179	1.4
163.03874	1.5
163.14827	2.5
172.95255	3.1
173.13271	6.6
190.96283	1.7
191.14314	81.5
209.15379	28.3
222.26952	0.7
231.81358	0.6
235.10942	10.8
237.02788	1.7
247.72600	0.7
260.04340	0.8
283.53354	0.8
291.06763	2.6
309.07849	1.4
605.24103	8.8
605.32727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44182	0.6
53.03954	0.8
55.05509	2.8
56.41519	0.6
57.07070	3.8
67.05170	0.9
67.05505	10.9
69.03431	3.0
69.07070	15.4
69.39421	3.9
69.39843	2.8
70.06586	0.7
71.04998	1.1
71.08614	1.3
79.05496	10.3
81.03449	1.0
81.07059	100.0
82.07410	1.4
83.04981	1.2
83.08630	1.2
85.02907	1.7
86.09712	1.1
89.37573	0.7
91.05468	2.9
93.07044	4.3
95.04967	1.5
95.08608	43.0
96.08938	1.2
97.02898	2.0
97.06484	0.9
98.20744	1.4
98.98475	3.1
105.07024	3.5
107.04995	1.4
107.08593	12.2
109.06520	7.9
109.10165	7.7
115.03960	0.7
115.05465	0.6
117.07020	1.4
119.04966	0.7
119.08618	1.6
121.10137	9.2
122.07272	2.9
123.08086	1.7
127.03886	1.5
129.06931	0.8
131.04950	1.2
131.08569	2.4
133.10133	99.6
135.08052	11.1
135.11658	1.9
137.06020	1.0
137.09621	49.0
137.13255	38.0
141.54546	0.7
143.08569	0.8
145.10147	0.7
147.04411	2.5
147.11676	1.9
149.13252	11.1
154.94182	3.9
158.10867	1.0
163.14835	1.7
172.95248	14.5
173.13271	4.5
174.98555	1.1
187.92238	0.7
190.96295	7.9
191.14307	68.1
195.96837	1.1
209.15373	41.1
234.90906	1.0
235.10965	5.3
247.04807	0.8
247.31628	0.8
252.91853	10.4
270.92923	12.2
275.08911	2.9
291.06641	3.1
293.94424	1.5
309.07742	2.1
370.98871	1.1
371.03363	13.7
371.12985	2.2
389.04510	5.4
412.05588	2.1
507.15747	10.5
525.16809	0.8
561.22461	3.1
605.12817	1.0
605.23877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.0
55.05504	6.4
56.96540	2.8
57.07069	3.3
60.08147	2.2
65.03925	3.8
67.05518	13.7
68.99789	2.8
69.07069	14.1
71.59176	3.1
79.05485	12.7
81.07059	26.5
83.04974	7.4
85.02888	3.6
86.09691	10.3
87.10039	2.8
91.05477	22.1
93.03430	3.1
93.07037	21.2
95.08605	31.6
97.02892	1.9
105.07036	42.5
107.08598	21.9
109.06528	2.1
109.10152	26.2
111.04438	3.9
119.04929	4.1
119.08574	35.4
121.02881	3.1
121.10150	27.3
123.08125	2.8
123.11698	10.9
125.00018	7.0
131.08560	6.7
133.06442	3.4
133.10120	28.9
135.11700	7.6
137.05952	5.5
145.10129	7.5
147.04440	4.8
147.11676	67.6
147.12793	4.3
148.11945	2.5
148.53221	2.1
149.02335	5.8
149.09563	2.9
149.13239	5.7
150.03101	11.5
153.05481	2.9
157.10106	2.7
159.07973	2.3
159.11702	5.9
161.05984	6.1
161.13254	12.6
163.03888	9.1
163.14754	2.4
165.12889	2.5
171.11803	2.8
175.07544	3.1
175.14944	2.7
175.75377	1.8
177.01836	15.1
177.05464	7.4
177.16443	3.1
178.02608	21.8
179.07018	3.4
183.08118	2.9
184.07291	28.7
185.07657	5.8
187.07471	2.3
187.14952	2.6
189.05470	4.5
189.16383	5.7
191.03444	3.1
191.07010	3.3
191.17961	7.3
193.04950	100.0
195.11578	2.5
201.09084	3.1
201.16380	7.7
203.07056	8.6
203.17957	95.3
204.18384	2.7
205.05078	3.5
205.15877	7.1
205.19547	4.2
207.17436	6.2
209.04393	8.1
217.08598	3.7
223.11223	3.1
229.08548	3.5
241.08644	3.2
243.10309	3.4
251.10516	4.1
255.13815	7.4
265.12338	2.9
283.13373	5.9
293.11993	2.4
321.22064	3.2
335.19839	3.3
339.23160	4.2
349.21542	5.7
353.21133	6.9
367.22665	17.8
377.21277	13.2
383.09738	2.9
395.22162	31.8
591.96173	2.6
605.33582	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	605.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62489	0.4
51.02378	0.5
53.03950	2.2
55.01873	5.6
57.03426	1.3
61.02919	1.5
62.39925	0.4
63.01439	0.4
63.09937	0.4
65.03917	1.2
66.04720	0.9
68.99773	1.3
69.03074	0.6
69.03427	7.7
69.71909	3.0
71.04977	0.6
72.88051	0.4
73.02910	1.3
73.19112	0.4
73.92512	0.5
79.05518	2.3
81.02970	0.7
81.03414	9.2
81.07043	1.0
84.04485	0.5
85.02904	14.4
87.00824	5.8
89.03875	0.8
91.03931	0.8
91.05460	3.6
93.03403	0.9
93.07021	0.5
94.04161	2.2
95.04957	0.9
97.02891	7.7
98.20739	0.7
99.04444	2.5
103.05463	10.0
105.01840	2.6
105.07050	2.9
107.04972	1.7
107.08591	0.9
109.02874	5.9
109.06491	2.0
111.04412	2.2
114.37315	0.4
114.92832	0.4
115.05462	2.6
117.01827	0.9
117.03374	0.7
117.07011	2.0
119.04925	0.6
119.08549	0.7
120.05696	1.6
122.03648	6.0
125.05948	2.3
127.03914	8.9
128.06227	1.2
129.01860	0.6
129.06992	4.2
131.04924	14.6
133.06476	1.7
135.04396	0.7
135.08054	1.3
137.05972	100.0
138.06285	1.5
143.04907	2.1
145.02907	0.8
145.04976	2.6
145.06459	2.1
146.03629	1.2
147.04410	1.1
147.08115	0.5
148.05151	0.9
149.06013	1.3
151.03929	1.5
153.05461	1.9
155.04868	1.6
157.06502	4.9
159.02910	3.0
159.04343	0.9
160.05161	1.1
161.05969	10.3
161.07251	0.7
161.13287	0.5
162.06802	1.2
163.03909	4.4
163.07539	16.4
164.04245	1.5
165.05495	6.5
165.06903	1.0
171.04427	1.7
172.05231	1.0
173.05966	3.9
174.06657	0.9
175.07567	5.9
176.04669	0.6
177.05476	3.3
178.07701	0.7
179.07101	0.8
179.08589	1.0
183.04382	1.1
184.05199	0.5
185.06033	3.1
187.07549	2.7
189.07018	1.8
189.09085	1.6
190.07742	2.0
191.07034	22.7
191.08607	3.5
192.07422	0.7
192.55011	0.4
195.08032	0.6
195.82846	0.4
199.07544	3.9
200.04639	0.6
202.07828	1.2
203.06920	3.4
203.08589	1.9
205.06506	1.8
205.08607	2.9
206.07283	0.8
207.08034	1.9
208.08870	1.1
211.07498	0.7
215.06941	3.3
217.06520	1.8
217.08565	17.6
218.07249	4.6
218.08974	0.5
219.08015	7.2
220.08678	1.0
221.05957	1.0
222.06848	0.5
223.07607	0.7
225.09105	0.6
229.06482	2.5
230.07227	0.7
231.04974	0.7
231.08067	2.6
232.08687	0.6
233.09634	1.2
234.06723	3.3
235.07501	4.6
236.08246	2.5
237.09064	1.5
243.08128	0.6
245.06148	0.9
246.06740	5.0
247.07506	8.4
248.08377	2.3
249.09036	5.4
250.06323	0.5
250.09763	1.1
251.07040	1.7
251.10648	1.8
252.07765	0.7
253.08578	0.8
257.06039	2.5
258.06665	1.2
259.07553	2.8
260.08301	0.7
261.09103	10.1
262.06287	1.9
262.09561	0.8
263.07007	4.7
263.10641	2.7
264.07776	4.9
265.08594	3.7
266.09277	1.1
267.10144	1.7
269.08118	0.8
271.07440	0.6
273.03806	0.8
274.06406	4.2
275.04340	0.7
275.07050	4.9
276.07736	2.8
277.08649	8.4
278.09473	2.7
279.06708	1.4
279.10184	5.8
280.07254	0.7
281.08249	0.5
284.10495	0.5
289.05356	0.7
289.08536	14.0
290.05933	0.9
290.09311	2.9
291.06458	2.2
291.10175	11.0
292.07245	1.6
292.10574	0.6
293.08398	0.7
293.11707	0.6
294.08932	3.8
295.09683	2.4
297.11270	1.9
302.04092	0.5
303.04904	1.3
304.05133	1.2
305.05377	0.9
306.08807	5.0
307.09622	23.4
308.10318	2.3
309.11145	8.4
310.11691	0.8
311.12714	1.3
321.11200	37.0
322.11591	1.4
323.12766	18.6
324.13260	0.7
327.12253	23.2
328.12692	0.7
339.12262	24.5
340.12833	1.1
341.13806	11.6
342.14178	0.9
353.99808	0.4
357.13309	23.5
358.13611	0.9
413.09570	0.5
605.24316	1.9
626.50165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01868	3.8
55.05262	2.7
55.05507	38.8
57.03433	5.1
57.07070	17.2
61.02908	6.0
67.05500	11.7
69.03433	14.9
69.06717	3.3
69.07065	36.0
71.05017	2.4
71.08615	8.3
71.60143	2.5
73.02901	2.0
76.51629	1.7
79.05489	14.4
81.03406	6.9
81.07047	23.4
83.04957	2.8
83.08614	100.0
85.02906	27.3
87.04467	3.0
91.05471	10.5
93.02637	1.6
93.07056	9.9
95.04967	2.3
95.08612	17.2
97.02869	15.3
97.10168	16.6
99.04456	2.2
105.07013	14.2
107.08598	25.0
109.02869	1.9
109.06503	4.1
109.10165	10.8
117.07011	1.7
119.08577	7.3
121.06431	2.4
121.10130	8.3
123.08064	4.5
123.11712	2.3
125.09627	2.9
127.03889	7.2
129.06981	1.6
131.08562	8.2
133.06459	2.5
133.10112	7.8
135.08038	2.6
135.11632	4.5
139.14801	9.4
143.08528	6.9
145.04922	4.4
145.10149	9.9
147.08047	4.0
147.11703	2.6
149.09564	3.5
149.13213	2.9
151.14841	3.1
155.08514	4.0
157.10147	5.8
159.11700	5.5
161.09645	5.9
163.11198	2.3
169.10139	4.7
171.11717	4.0
173.09641	3.6
173.13193	2.3
175.11185	9.3
175.14809	2.8
177.09082	14.3
181.10129	2.4
183.11713	4.7
185.13269	6.2
195.11743	3.1
197.13246	3.5
199.14781	2.6
201.16351	2.6
203.14314	2.6
209.13307	2.9
211.14796	4.4
213.16353	2.1
221.15250	2.0
223.14879	2.5
239.14310	2.6
239.17943	3.8
249.16508	2.8
257.15265	2.5
265.16040	2.2
267.17535	12.2
269.19153	2.1
283.16940	3.1
285.18558	10.4
299.23645	6.1
303.19537	2.8
315.26688	3.9
317.24786	17.7
339.23141	2.2
387.30261	2.9
393.31311	2.0
405.31473	19.4
423.32565	58.4
441.33646	6.1
603.40039	12.0
628.94427	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.7
55.05507	9.0
56.05027	0.8
56.96564	0.8
57.03430	0.8
57.07079	1.1
59.05011	0.8
60.04523	3.5
67.05502	2.6
69.07069	17.2
70.06587	1.6
70.63091	0.7
71.08624	0.7
71.28812	1.4
72.08154	100.0
79.05486	1.8
81.06628	0.6
81.07043	3.5
83.04982	2.0
84.08158	0.9
86.09704	85.9
88.03992	2.2
91.05480	2.6
93.07054	4.4
95.08627	3.0
97.06545	1.9
97.10176	1.7
98.06052	1.2
99.87141	0.6
103.05492	2.2
105.07040	2.7
106.05038	2.9
107.08613	0.9
109.10178	2.1
111.11732	1.5
114.09180	1.9
116.03474	2.1
117.07040	1.0
117.45674	0.6
119.08588	1.6
120.08105	70.9
121.09406	0.7
121.10106	3.2
133.10141	1.5
135.11728	0.9
137.06044	0.6
137.81975	0.6
139.11171	18.3
140.14313	10.5
144.08116	1.3
145.10222	1.1
147.11752	1.4
148.66731	0.7
154.56450	0.7
156.13884	2.4
159.11681	0.8
160.09689	4.1
162.09172	1.2
174.11285	1.6
174.12764	16.7
174.14226	0.9
188.14314	0.9
199.36348	0.7
207.11368	1.7
208.09737	3.3
210.18529	43.6
219.13527	1.6
228.19586	20.6
228.21693	1.3
233.16492	12.1
235.10779	9.9
238.18011	15.5
243.15047	0.8
252.37296	0.7
253.11839	14.2
256.19098	21.7
256.21652	1.3
261.15933	22.5
261.17941	2.1
279.17758	0.7
287.21182	3.4
304.47162	0.8
307.16663	2.0
315.23477	7.1
320.19742	1.1
321.18478	1.3
323.26935	1.0
325.21228	3.5
330.18112	3.6
343.22366	5.3
348.19162	20.9
351.26498	9.7
366.20169	7.8
369.27487	16.0
369.31815	1.2
428.31369	1.9
438.29791	3.3
445.27167	1.7
451.15720	1.0
456.30704	4.1
462.29712	9.5
462.35986	1.0
471.18384	0.9
472.28406	1.6
490.29175	11.6
498.32999	1.5
505.35251	4.3
516.34235	4.8
530.35651	0.9
557.37189	2.2
558.35669	3.0
575.37952	14.0
585.36426	22.4
586.36292	0.8
603.37646	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	603.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01876	0.8
55.05519	1.3
56.18452	0.2
57.03426	0.5
59.04987	0.4
65.03933	0.4
67.05505	3.7
68.69857	0.2
69.03429	2.3
69.07062	1.2
71.05000	1.2
71.21165	0.3
72.69153	0.2
73.02907	0.3
78.93061	0.1
79.05493	2.9
81.02977	0.4
81.03421	4.8
81.07059	4.1
83.04989	1.5
83.08601	0.5
85.02905	1.2
85.06544	0.4
91.05482	4.5
93.07048	5.8
95.04960	2.0
95.08606	4.4
97.02891	4.7
97.06533	0.8
97.10184	0.2
99.04441	1.3
105.07033	9.2
107.04948	1.5
107.07867	0.3
107.08594	7.7
109.02879	7.8
109.06519	1.4
109.10157	7.7
109.10925	0.3
111.04441	5.4
111.08080	0.9
113.05991	0.4
115.03915	0.3
115.05450	0.5
117.07037	1.5
119.04940	0.4
119.08582	11.2
121.02867	0.6
121.06516	1.7
121.10140	3.3
123.04463	1.0
123.08071	2.2
123.11697	1.2
125.06012	0.4
125.09624	0.5
127.03915	100.0
128.04260	1.0
128.06250	0.7
129.05392	0.2
129.07013	1.4
130.07813	0.3
131.04916	0.3
131.08574	2.1
133.06491	5.4
133.07440	0.2
133.10129	7.8
135.08052	4.8
135.08990	0.4
135.11687	1.9
137.06012	0.7
137.09604	1.1
137.13242	0.2
139.07520	0.5
141.07008	0.3
141.09082	0.2
142.07762	1.0
143.08543	2.2
145.04968	1.1
145.06512	0.9
145.10139	2.5
147.04436	0.3
147.08046	4.0
147.11713	1.1
149.05988	0.4
149.09619	2.1
151.07533	0.4
151.11176	0.7
153.06923	0.2
153.09050	0.2
155.08569	0.3
156.09346	0.6
157.06454	0.3
157.10136	2.0
159.08081	0.7
159.11702	2.2
161.05969	0.5
161.09613	4.8
161.13220	0.7
163.07559	0.5
163.11166	3.1
164.05795	0.2
165.07060	0.2
165.09103	4.6
166.07774	0.5
169.06473	0.4
169.10129	0.7
171.08051	0.8
171.11711	2.2
173.09578	0.9
173.13235	1.1
175.07657	0.3
175.11205	0.8
175.14745	0.3
177.05447	0.3
179.08478	0.2
179.08954	0.2
179.10686	3.6
181.10114	1.8
181.12270	0.3
183.08014	0.2
183.11760	0.7
184.08803	0.3
185.09613	2.6
185.13274	0.8
187.11171	0.8
187.14867	0.6
189.09087	3.0
189.12756	0.6
189.16399	0.3
191.10707	1.1
193.12280	0.3
195.11726	0.8
197.09686	0.2
197.13219	0.5
199.11180	6.2
199.14850	0.5
201.12819	0.3
201.16481	0.2
203.10637	0.9
205.10326	0.2
205.12231	0.5
207.10162	5.2
207.12033	0.3
209.09717	0.2
209.11594	0.4
209.13394	0.5
211.14864	0.5
213.12781	0.6
215.10593	0.3
215.14268	0.2
217.12248	3.3
217.92299	0.2
219.13834	0.2
221.13318	0.2
225.11201	13.2
225.96956	0.2
226.11752	0.2
227.10777	0.4
227.17865	0.3
235.13330	0.7
237.12791	0.2
237.16481	0.5
241.12248	0.3
249.16434	0.2
251.17865	0.6
255.13878	0.4
255.17375	0.3
259.13287	0.4
267.12161	1.2
269.19016	0.8
273.18454	0.3
279.12375	0.2
279.17499	0.7
287.16760	0.3
287.20111	1.2
295.16989	0.4
297.13455	0.3
297.18500	2.8
301.07013	0.3
301.14395	0.5
313.17914	0.4
315.19565	7.8
318.63678	0.2
331.18958	0.4
333.13388	0.7
333.20697	0.7
351.14270	0.8
357.20578	1.3
369.20520	0.3
375.21695	0.7
405.20892	0.3
410.17517	0.2
423.21619	1.1
441.22830	3.6
442.23175	0.3
459.23938	1.2
567.29602	0.3
573.30859	0.2
585.30341	0.7
603.29852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01857	0.9
55.05496	1.3
56.96571	0.4
59.04957	0.3
67.01830	0.3
67.05502	3.7
67.86000	0.3
69.03427	2.1
69.07054	0.9
69.85685	1.8
71.04979	1.0
77.03928	0.4
79.05493	3.8
81.03416	3.6
81.07056	3.9
83.04965	0.9
83.08606	0.4
84.18373	0.3
85.02897	1.0
91.05473	4.6
93.07050	6.4
95.04962	1.8
95.08594	4.0
97.02880	5.0
97.06538	0.8
98.20772	0.6
99.04447	1.5
105.06377	0.7
105.07031	8.0
107.04956	1.9
107.08593	6.8
109.02873	7.0
109.06538	2.2
109.10153	8.8
111.04455	2.4
111.08070	0.8
115.05455	0.8
117.07014	1.7
119.08581	11.8
119.09458	0.7
121.02866	1.0
121.06533	1.9
121.10121	2.7
123.04408	1.4
123.08073	1.9
123.11713	1.0
125.05964	0.3
127.03912	100.0
128.04254	0.5
128.06227	0.9
129.06996	1.4
130.07782	0.3
131.08604	1.9
133.06476	1.1
133.10126	7.2
135.08043	5.3
135.11696	1.9
137.06010	0.5
137.09607	1.2
137.13237	0.5
141.06995	0.5
142.07808	0.7
143.08578	2.8
145.04964	0.8
145.06445	0.9
145.10107	2.5
146.07289	0.4
147.08054	4.9
147.11702	1.0
149.09592	1.6
151.07574	0.3
151.11191	0.8
153.06982	0.4
155.08516	0.5
156.09314	0.6
157.06578	0.6
157.10133	1.4
159.08044	0.6
159.11702	1.5
161.09601	5.2
161.13307	0.5
163.03951	0.4
163.11194	3.1
165.06987	0.6
165.09100	5.1
166.07748	0.8
167.08546	0.7
169.10168	0.4
171.08063	0.6
171.11702	1.6
173.09648	0.8
175.11195	0.5
179.10674	3.7
181.10100	1.9
183.07999	0.4
185.09590	2.6
187.11205	0.5
189.09122	3.9
189.12759	1.0
191.10677	1.1
197.09644	0.5
199.11195	8.1
199.14804	0.5
201.12834	0.4
203.10515	0.7
207.10135	6.1
213.12697	0.4
217.12265	4.4
225.11211	15.4
235.13371	0.9
255.17554	0.6
267.12274	2.3
273.18439	0.4
279.12134	0.4
287.19937	0.6
297.18503	1.2
299.08066	0.4
302.04190	0.4
315.19534	6.7
333.13339	1.0
347.67126	0.4
351.14371	0.9
357.20615	2.1
423.21698	1.0
441.15378	1.0
441.22693	4.3
459.23657	0.7
553.41083	0.5
603.30768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64258	0.1
53.03943	0.9
55.01879	0.8
55.05516	0.9
57.03442	0.3
57.07059	0.2
65.03934	0.4
67.05509	3.1
69.03132	0.2
69.03441	2.2
69.07065	0.6
70.60593	0.5
71.01353	0.3
71.05004	0.8
79.05498	2.4
81.02974	0.3
81.03421	4.2
81.07057	3.1
83.01345	0.3
83.04986	0.8
83.08609	0.2
85.02921	0.8
85.06552	0.3
91.05484	3.7
93.07054	5.2
95.04980	1.3
95.08614	3.8
97.02896	4.1
97.06542	1.1
99.04454	1.1
99.08103	0.2
103.05441	0.3
105.07037	8.0
107.04980	1.3
107.08601	7.5
109.02887	6.8
109.06525	1.7
109.10162	7.5
109.10918	0.3
111.04449	3.9
111.08087	0.9
113.06009	0.2
115.03912	0.2
115.05447	0.3
116.06231	0.2
117.07032	1.4
119.08590	10.6
121.02871	0.4
121.06532	1.8
121.10140	2.9
123.04466	1.1
123.08085	1.9
123.11726	0.9
125.06005	0.5
127.03924	100.0
128.04265	1.4
128.06178	0.8
129.07004	1.0
130.07751	0.2
131.04968	0.2
131.08571	1.7
133.06499	4.9
133.10141	7.1
135.08060	4.5
135.11710	1.2
137.06000	0.5
137.09633	1.2
137.13306	0.3
139.07486	0.3
141.07062	0.3
141.09009	0.2
142.07793	0.5
143.08572	2.4
144.09360	0.3
145.04964	0.7
145.06473	0.5
145.10132	2.5
146.07224	0.3
147.08049	4.3
147.11697	1.1
148.08807	0.3
149.05989	0.3
149.09637	1.8
151.07512	0.2
151.11192	0.8
153.06902	0.2
153.09119	0.2
154.07738	0.2
155.08522	0.5
156.09364	0.7
157.10118	1.9
159.08029	0.7
159.11708	1.8
161.06067	0.2
161.09636	5.5
161.13257	0.5
163.07571	0.2
163.11205	2.7
165.06981	0.3
165.09135	4.5
166.07794	0.6
167.08580	0.3
169.10162	0.7
171.08105	0.5
171.11705	2.0
173.09656	1.1
173.13293	0.7
175.11201	0.7
175.14828	0.2
179.10686	3.3
181.10149	1.6
181.12227	0.3
183.11699	0.5
184.08919	0.2
185.09636	2.5
185.13292	0.7
187.11214	0.6
187.14861	0.3
189.09109	2.9
189.12778	0.5
191.10646	0.9
193.12219	0.2
195.11705	0.6
197.09613	0.4
197.13326	0.4
199.11188	6.5
199.14896	0.6
200.11603	0.2
201.12834	0.3
203.10664	0.8
205.12265	0.5
207.08209	0.3
207.10170	5.3
207.12029	0.4
209.09918	0.2
209.11726	0.5
209.13423	0.4
211.09450	0.2
211.14862	0.4
213.09247	0.2
213.12790	0.5
215.10681	0.4
217.12256	3.1
219.13811	0.4
223.16777	0.2
225.11224	13.0
226.11525	0.3
227.10692	0.3
227.17903	0.3
231.13925	0.2
235.13275	0.5
237.12866	0.3
237.16376	0.6
241.12260	0.4
241.19469	0.2
249.11163	0.2
251.18033	0.5
255.17555	0.6
259.13309	0.5
267.12244	1.5
267.17273	0.2
269.19052	0.6
270.30817	0.2
273.18481	0.3
279.17438	0.3
287.17004	0.3
287.20166	0.9
288.20364	0.2
295.16830	0.2
297.13388	0.2
297.18506	2.6
313.18063	0.5
315.19565	7.1
316.19928	0.2
331.19025	0.2
333.13431	0.5
333.20651	0.6
351.14548	0.7
357.20648	1.6
369.20541	0.4
375.21835	0.5
393.20578	0.2
405.21008	0.6
411.21860	0.2
423.21561	1.1
441.22791	4.0
459.24075	1.1
477.25070	0.3
603.28870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10776	0.2
53.74281	0.2
55.05511	0.4
58.09573	0.2
59.10299	0.2
65.69447	0.2
67.05494	0.3
69.07084	0.2
70.03365	1.1
71.04985	0.6
79.05482	0.8
80.21736	0.2
81.07047	2.1
91.05482	0.6
93.06552	0.2
93.07026	1.3
95.08607	0.6
97.06530	0.3
98.03474	0.2
105.07001	0.4
107.08602	0.5
109.10161	0.3
119.08598	0.4
133.10059	0.3
135.11719	0.9
153.12733	0.6
163.03912	1.5
175.10956	0.8
185.02185	0.2
193.12003	2.2
209.04240	0.3
221.11499	0.8
227.05237	0.5
235.13066	0.3
235.89555	0.2
275.20065	0.9
293.21039	0.2
298.27377	0.2
331.08072	0.4
337.16406	0.3
347.07404	1.3
365.08426	1.8
379.17142	0.6
389.08429	0.7
407.09497	2.0
433.07523	0.6
444.72577	0.2
451.08459	0.9
499.19229	0.6
517.20459	15.2
518.20404	0.3
559.21490	21.5
560.21863	0.8
603.20459	100.0
604.20734	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.3
51.91348	0.2
53.03910	0.3
54.05124	0.2
55.01851	0.4
60.57400	0.2
65.03908	0.9
67.05482	0.3
67.52756	0.2
68.99787	3.3
69.03400	0.2
69.51135	1.5
70.06562	0.3
72.45115	0.2
81.03389	0.8
81.07024	0.3
91.05427	0.7
92.02620	2.2
93.03389	2.3
95.01283	0.9
95.04920	0.7
95.08542	0.3
97.02857	0.4
99.08057	0.8
103.05431	0.4
104.00283	0.3
105.03365	0.5
105.07000	0.6
107.04917	0.3
107.08560	0.2
109.02855	1.2
109.10114	0.3
110.03631	0.9
111.00789	1.4
111.04398	0.3
115.05402	0.7
117.06987	0.3
119.01261	0.6
121.02859	2.9
121.06460	0.8
121.10102	0.4
123.04390	0.4
126.03100	0.7
127.03860	0.7
128.06129	0.3
131.04865	0.6
133.02852	0.7
133.06421	0.3
135.04387	0.3
137.02333	10.2
137.03381	0.6
137.05894	0.3
143.04893	0.3
144.05618	0.3
145.06470	0.5
145.34070	0.2
147.04382	1.2
149.02345	0.5
151.03870	0.3
153.01817	23.7
155.04892	0.6
159.04413	0.5
161.02272	0.5
161.05948	1.5
163.03848	1.0
165.01823	2.4
166.02577	0.5
171.03003	0.4
171.04388	1.5
173.05959	1.1
175.03874	1.0
176.04643	0.3
177.05423	1.3
177.47589	0.2
179.03384	3.8
183.02875	1.0
183.04370	0.6
187.03854	0.7
189.05467	3.1
191.03316	0.7
193.01282	1.6
195.02831	0.3
199.03906	1.1
200.04681	1.7
201.05457	3.0
203.03381	4.2
204.04077	0.5
205.04893	0.4
211.03922	0.3
211.13310	0.8
213.05458	0.8
215.03374	0.4
217.04959	18.6
218.05656	0.8
219.02829	0.7
227.03395	3.7
228.04156	5.2
229.04956	8.8
231.02821	1.6
232.03581	0.4
239.03358	0.9
241.62761	0.2
245.04449	20.3
246.05295	2.3
247.06021	0.8
255.02863	3.2
256.03687	1.4
257.04434	6.1
258.05261	0.6
260.03125	0.4
263.73184	0.3
267.02893	0.5
269.04382	2.3
272.02969	0.3
273.03922	90.0
274.04645	8.5
275.05389	0.8
284.03189	0.6
285.03943	9.0
301.03415	29.9
302.04193	51.8
303.04968	100.0
304.05219	1.5
313.03403	45.0
314.03757	0.6
331.06119	0.4
359.05569	0.5
363.04672	0.3
377.06567	1.5
387.04980	1.2
392.05176	0.4
405.06146	2.5
421.05591	1.4
433.05469	2.6
451.06781	1.0
493.04486	0.5
539.06335	0.6
557.07111	3.0
567.05670	1.0
585.06683	9.9
586.06903	0.3
603.07684	36.3
604.08411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
62.98672	0.3
65.03900	1.1
67.11991	0.3
68.99788	3.1
69.03381	0.3
69.72266	2.2
70.06556	0.4
78.89523	0.3
79.05473	0.4
81.03360	1.0
81.07033	0.5
83.08618	0.4
85.02856	0.3
92.02619	1.9
93.03410	1.9
93.07040	0.3
95.01289	0.9
95.04939	0.7
97.48924	0.3
103.05441	0.4
105.06981	0.4
107.04925	0.4
109.02833	1.3
109.10130	0.4
110.03639	0.7
111.00795	1.7
115.05459	0.7
119.01276	0.8
119.04929	0.3
119.08554	0.6
120.52235	0.3
121.02874	2.3
121.06463	0.8
122.42289	0.3
123.04385	0.5
126.03083	0.7
127.03912	1.5
131.04892	0.6
133.02823	0.7
133.06419	0.5
135.04425	0.3
137.02332	10.6
137.03387	0.7
145.06363	0.6
147.04413	1.6
149.02292	0.5
153.01822	24.2
155.04849	0.8
161.02339	0.4
161.05948	1.9
163.03848	1.2
165.01817	2.7
166.02524	0.6
171.04419	1.9
173.05928	1.0
175.03833	1.0
177.05412	1.5
179.03372	4.5
183.02846	0.9
183.04379	0.7
183.11424	0.3
187.03856	0.7
189.05450	3.0
191.03311	1.2
193.01286	1.0
195.02768	0.5
199.03827	1.5
200.04648	1.2
201.05457	3.1
203.03381	4.3
204.04050	0.6
205.04912	0.5
211.03938	0.3
213.05455	0.7
217.04962	23.2
218.05588	0.8
219.02861	0.7
219.06432	0.4
221.04504	0.4
227.03400	4.7
228.04135	4.9
229.04955	10.1
231.02885	2.0
232.03636	0.4
239.03415	1.1
245.04448	21.5
246.05214	2.0
247.06067	0.8
255.02895	3.7
256.03659	1.3
257.04449	6.1
258.05219	0.9
260.03171	0.6
267.02893	0.7
269.04437	2.5
273.03925	100.0
274.04642	7.7
275.05475	0.7
284.03217	0.5
285.03928	9.0
286.04572	0.4
287.05640	0.4
293.04401	0.4
301.03424	30.5
302.04196	47.4
302.22125	0.3
303.04968	99.0
304.05365	1.5
313.03406	52.6
314.03754	0.8
377.06512	1.2
387.05057	0.9
391.04175	0.4
393.06000	0.3
405.05963	2.4
421.05557	1.9
433.05545	2.6
451.06656	0.9
493.04315	0.4
529.08112	0.3
539.06226	0.8
557.07184	2.5
567.05609	1.2
585.06641	11.5
603.07690	38.4
604.08044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60209	0.9
55.05497	3.1
64.12271	1.0
65.03925	1.5
67.05486	4.1
68.99793	2.8
69.03426	1.8
69.07050	3.3
69.58991	7.4
70.06567	1.5
70.82948	1.0
72.08143	1.8
79.05508	2.2
81.03413	1.6
81.07059	4.6
83.08597	1.9
84.04461	1.2
85.02907	1.7
86.09715	4.4
88.03960	1.1
91.05474	5.7
92.02618	2.4
93.03413	1.8
93.07027	4.6
95.04953	3.7
95.08611	10.1
97.02900	3.3
97.06511	1.1
97.10141	1.5
105.01875	2.1
105.07030	7.6
107.08591	7.0
109.02865	3.5
109.06512	2.0
109.10146	7.6
110.06020	1.6
115.05449	1.1
117.07001	2.6
119.08575	25.7
121.02866	2.7
121.06542	1.3
121.10146	6.1
123.11731	2.4
125.09606	1.6
127.03922	15.0
131.08572	4.0
133.02864	1.6
133.06470	3.7
133.10132	7.9
135.08064	1.6
135.11687	3.4
137.02348	11.0
137.06021	0.9
137.09645	2.2
137.13249	1.3
143.08539	1.9
144.09236	1.7
145.04932	1.6
145.10123	8.1
147.04414	2.3
147.07953	1.0
147.11693	6.3
149.09584	1.1
149.13303	1.5
153.01828	22.3
157.10136	5.1
159.11694	11.2
161.05974	2.0
161.09633	2.7
161.13252	3.0
163.03871	2.2
163.07562	1.4
165.01891	2.5
165.09103	1.5
170.10847	1.1
171.04453	1.3
171.11653	4.3
173.13252	3.8
175.11186	1.8
175.14810	1.4
175.61771	1.1
177.05484	1.9
177.12854	1.3
179.03394	3.9
183.02827	1.2
183.11646	1.1
185.13269	5.1
187.10846	1.4
187.14827	3.4
188.75354	1.1
189.05473	3.1
189.16389	1.9
191.10516	1.5
197.12941	3.8
199.14777	4.8
200.04668	1.9
201.05482	2.3
201.16399	4.0
203.03450	2.8
213.16417	1.4
215.13937	1.3
217.02948	1.3
217.04967	17.0
219.13783	1.0
223.14766	1.4
225.11104	1.2
227.03426	4.5
228.04210	5.0
229.04947	9.3
231.02861	2.0
231.04904	1.3
239.03316	1.5
241.19525	7.8
245.04463	19.2
245.15298	1.2
246.05226	2.6
249.05920	1.5
255.02910	3.5
255.20998	5.4
256.03699	1.2
257.04404	6.8
258.05142	1.3
269.04523	1.8
273.03946	91.3
273.22174	3.7
274.04739	5.6
283.20578	5.2
284.09802	4.4
285.03949	9.4
301.03448	29.7
301.21613	22.7
302.04227	47.1
303.04999	100.0
313.03412	46.3
319.22708	10.4
355.67047	0.9
355.71930	1.1
358.15939	1.1
405.05969	2.9
433.05185	2.5
451.06531	1.3
557.06836	2.8
585.06659	12.6
602.41833	1.4
603.07690	43.1
614.99719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12344	0.5
55.05515	0.5
57.06826	0.5
57.07073	5.3
58.06585	1.8
60.04512	0.5
65.03923	0.5
69.03407	0.7
70.06590	18.4
70.38382	2.1
71.08622	2.9
72.08150	0.5
73.58381	0.5
81.07042	1.6
88.07626	21.7
91.05444	0.4
93.07042	1.0
95.08602	1.0
102.09178	16.4
105.06992	1.1
107.08568	0.9
109.10164	0.8
119.08581	0.6
127.03943	0.9
133.10085	0.6
135.04344	0.5
135.08112	0.5
139.03897	0.5
147.04469	0.9
149.02341	30.2
156.17465	0.8
156.21315	0.5
163.03874	1.3
174.02634	0.5
175.03929	1.2
191.07051	0.5
193.04953	42.1
200.20085	45.0
203.18094	0.7
219.06586	0.8
232.47150	0.5
237.00681	0.6
237.07570	11.8
244.22589	0.8
254.54874	0.5
255.01900	1.0
269.04434	1.3
273.02808	0.8
279.88388	0.5
297.04007	2.4
313.07001	2.1
325.26694	0.4
341.06558	7.2
343.08246	0.7
359.07495	5.2
385.09174	18.1
385.14127	1.1
429.11816	24.5
430.12146	0.6
441.15222	1.0
535.18640	1.0
541.46490	0.5
584.28705	1.0
602.29553	100.0
603.18433	1.9
603.29877	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05509	23.8
57.03444	6.6
57.06823	1.4
57.07081	18.7
59.05003	1.4
65.03944	1.2
67.05504	19.3
69.03426	2.8
69.07068	37.8
69.33458	1.0
71.04990	2.6
71.08626	13.4
71.51606	1.8
73.06554	1.7
79.05486	9.1
81.07056	27.9
83.04986	2.6
83.08617	27.7
85.06535	2.2
85.10184	6.4
91.05497	5.6
93.07050	16.0
95.04967	2.3
95.08603	26.5
97.06538	8.7
97.10168	17.5
101.05987	1.7
105.07032	7.2
107.08591	14.4
109.06505	1.6
109.10155	13.7
111.08135	5.3
111.11755	3.7
115.07561	2.0
117.07003	1.4
119.08569	6.7
121.10143	16.7
123.08070	3.9
123.11718	6.7
125.09620	5.7
131.08597	4.3
133.10130	3.9
135.08070	2.4
135.11678	14.4
137.09653	2.1
137.13261	2.5
139.11195	5.8
142.07770	1.6
143.08534	2.5
145.10130	5.0
147.08041	4.2
149.13243	7.4
151.07578	1.6
153.12726	1.9
157.10152	3.4
159.11681	3.4
163.11273	1.7
163.14803	6.4
165.09117	7.7
167.14316	2.1
171.11700	1.5
177.16406	2.2
181.15814	1.2
183.11942	1.9
185.13202	1.9
197.13148	1.4
199.16951	1.2
202.64822	1.4
203.14197	1.5
209.13361	1.3
219.21072	8.7
221.15349	17.6
235.14760	1.4
237.22137	19.9
255.23273	5.6
287.20190	1.8
311.25784	21.7
329.26855	100.0
353.24100	1.4
470.10172	1.2
491.44595	4.1
509.45670	1.8
521.35895	4.0
565.48438	4.8
583.41315	2.5
583.49396	21.1
601.42682	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	601.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.2
55.05515	30.3
57.07070	17.5
65.03956	4.3
67.05505	34.7
69.03426	12.4
69.07066	24.3
71.04991	4.2
71.08635	8.2
71.61009	7.1
79.05489	38.3
81.03409	25.7
81.07058	61.2
83.04976	17.3
83.08620	15.2
85.06529	7.2
85.10168	5.1
91.05489	57.6
93.01685	3.6
93.07050	83.8
95.04966	29.7
95.08603	52.8
97.06532	14.7
97.10165	5.0
102.42251	3.8
105.07032	100.0
107.04959	4.5
107.08597	79.3
108.08986	3.5
109.06503	21.4
109.10144	32.9
111.08064	6.1
113.09640	6.9
115.05455	8.4
117.07028	26.4
119.08588	91.8
120.08968	4.5
121.06501	11.3
121.10151	80.3
122.10360	4.3
122.18437	3.5
123.08076	16.5
123.11720	13.1
125.09635	12.2
128.06212	12.3
129.06992	20.4
130.07813	6.5
131.04921	5.8
131.08566	50.6
132.09337	3.8
133.06491	10.2
133.10132	72.2
135.08041	16.3
135.11681	25.9
137.09628	9.1
139.11185	8.6
142.07791	19.3
143.08548	34.9
144.09361	7.9
145.06435	4.5
145.10135	77.6
147.08025	17.8
147.11658	25.5
149.09593	22.2
149.13324	5.4
151.07571	11.2
151.11147	4.5
153.06987	4.3
155.08592	19.3
156.09340	17.5
157.10141	56.0
158.10884	7.4
159.08063	15.5
159.11696	47.5
160.05121	6.7
161.05940	8.1
161.09621	15.4
161.13234	7.8
163.11174	11.5
165.07092	8.3
165.09125	16.9
167.08554	5.9
167.10672	54.6
168.09352	5.8
169.10139	27.6
170.10840	5.9
171.11688	34.2
173.06042	13.7
173.09621	8.0
173.13277	24.7
175.11229	14.5
175.14804	19.9
179.08604	7.0
179.14285	3.7
181.10126	17.4
181.12230	7.6
182.10918	12.5
183.11671	19.6
184.12189	3.9
185.09613	4.8
185.13274	14.3
187.07477	5.3
187.14815	14.3
189.12784	10.9
191.14200	5.2
193.10164	5.8
194.10844	8.6
195.11691	16.5
196.12369	7.2
197.13295	25.9
198.13831	4.5
199.11366	4.5
199.14796	11.7
201.16393	8.5
203.14371	9.9
206.10899	5.8
207.11736	13.2
208.12515	5.0
209.13301	30.1
211.11232	7.0
211.14848	14.9
213.12695	5.2
217.15860	6.7
220.12427	4.2
221.13287	11.9
221.15402	50.6
223.14821	17.4
225.12741	4.0
225.16417	10.1
227.14308	6.2
227.17894	5.4
231.11671	5.6
233.13303	7.2
233.15260	22.2
235.14824	11.9
237.16357	6.3
239.14159	4.5
239.17999	6.5
243.13768	4.2
246.13982	4.7
247.14835	9.0
249.16393	8.2
251.17964	9.4
257.18918	5.2
259.14731	3.9
261.16345	6.0
271.13373	16.2
275.17996	4.0
281.18915	4.1
283.20874	3.7
285.18649	6.1
287.20218	7.0
289.14249	8.4
289.19403	4.1
291.21121	3.7
295.20630	3.7
299.20245	6.4
301.21750	4.7
303.21011	4.1
313.27432	7.3
349.49915	3.7
356.03198	4.1
409.94446	4.1
565.40613	7.9
583.41260	15.0
601.41681	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	601.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	28.9
57.07070	11.7
59.05019	6.6
65.03931	4.2
66.97148	3.2
67.05508	48.1
69.03431	15.2
69.07079	27.4
70.86054	11.6
79.05498	36.6
81.07061	55.5
83.04984	16.5
83.08620	17.5
85.06548	6.7
87.04472	6.1
87.14513	3.8
88.51321	4.3
89.06058	4.9
91.05482	62.0
93.07048	88.6
95.04981	34.5
95.08621	51.0
97.06540	14.4
103.05460	9.3
103.70145	3.5
105.07035	96.5
107.08596	77.1
109.06513	22.5
109.10162	37.1
111.08087	7.8
113.09679	4.8
115.05458	9.7
117.07002	21.2
119.08585	95.9
120.08845	5.4
121.06535	11.0
121.10152	100.0
123.08091	24.2
123.11744	13.2
125.09648	14.6
128.06247	13.0
129.07022	16.6
130.07773	8.5
131.07698	5.9
131.08575	49.7
133.06580	4.5
133.10136	71.9
135.08044	24.3
135.11694	30.1
137.09592	9.5
139.11182	8.2
141.06992	10.6
142.07780	21.9
143.08580	43.5
144.09322	9.6
145.10127	80.9
146.10513	6.3
147.08022	22.6
147.11702	31.3
149.09618	19.2
151.07559	7.7
151.11121	4.4
155.08597	18.7
155.10699	6.2
156.09360	19.1
157.10121	61.3
158.10843	8.1
159.08078	14.9
159.11693	40.8
161.09651	20.2
161.13283	14.5
163.11206	13.0
165.07056	7.7
165.09166	26.0
167.08533	11.2
167.10667	67.4
168.09349	8.3
169.10138	30.7
170.10838	8.3
171.08066	4.3
171.11710	40.6
172.12370	4.8
173.09708	6.6
173.13283	24.6
175.11249	9.5
175.14818	22.2
179.08548	6.8
180.09355	7.0
181.10150	19.0
181.12238	8.6
182.10890	9.4
183.11736	35.0
184.12259	5.7
185.09596	5.4
185.13271	22.0
187.11171	7.5
187.14839	16.2
189.12779	10.8
189.16437	4.4
191.14349	5.3
192.09312	5.5
193.10165	14.0
194.10851	7.9
195.11742	23.6
196.12471	7.3
197.09720	4.9
197.13336	22.4
198.13927	5.5
199.14880	18.6
201.12776	10.9
203.14368	12.8
205.10141	7.1
206.10942	6.5
207.11711	17.2
207.13652	5.7
208.12404	7.3
209.13290	30.9
209.15208	7.0
210.13982	6.0
211.14772	12.6
212.15414	5.5
213.12865	10.1
213.16399	9.1
215.14378	11.0
219.11600	7.4
220.12444	7.0
221.13278	13.6
221.15424	48.4
223.14828	16.9
225.12814	6.5
225.16383	9.0
231.11597	4.1
232.12425	6.7
233.13318	7.5
233.15331	26.7
235.14723	6.4
237.16420	10.4
247.14795	9.6
249.16298	7.3
251.17947	12.9
253.19463	5.0
261.16315	5.8
265.19409	8.0
269.18958	12.8
277.19452	5.9
283.20709	6.1
287.20047	8.0
299.20078	9.7
300.20834	5.3
301.21783	6.4
361.25134	4.3
491.34988	7.0
503.37045	7.8
509.35495	5.5
565.40503	5.6
583.41144	22.6
601.42578	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22031	3.6
53.03959	5.0
55.05516	21.6
57.07073	11.1
57.49356	3.6
67.05511	35.8
69.03425	15.7
69.07070	28.8
70.89140	11.2
77.03940	4.0
79.05497	38.8
81.03375	4.8
81.07062	48.3
83.05003	20.1
83.08625	11.6
85.06516	6.0
87.04468	7.2
91.05481	52.3
93.07049	66.5
95.04981	25.8
95.08614	43.6
97.06538	14.8
103.05448	7.9
105.07037	80.5
106.07339	4.6
107.04968	4.5
107.08597	81.1
109.06503	18.7
109.10163	33.0
111.08121	4.9
115.05423	8.2
117.07008	25.7
119.08585	100.0
121.06515	9.6
121.10146	83.7
123.08080	21.3
123.11707	14.2
125.06054	5.3
125.09628	14.5
128.06241	14.1
129.07008	24.6
130.07771	8.1
131.08566	46.5
133.06499	7.1
133.10138	68.6
135.08054	20.8
135.11673	25.7
137.09645	10.2
139.11198	7.0
141.06976	10.6
142.07774	19.2
143.08560	42.4
144.09329	8.0
145.10132	65.5
147.08020	19.0
147.11699	25.3
149.09630	15.6
149.13179	5.0
151.07590	12.5
151.11182	3.8
155.08577	14.2
155.10664	5.8
156.09329	16.1
157.10146	51.8
158.10750	7.4
159.08066	18.2
159.11678	44.5
161.09653	15.5
161.13345	9.3
163.11203	12.1
163.24860	3.8
165.06985	5.7
165.09102	27.5
167.10680	45.3
169.10120	34.8
170.10771	7.1
171.11760	34.0
172.12317	4.4
173.09578	5.3
173.13225	22.3
175.11238	6.2
175.14798	14.0
179.08620	11.7
180.09393	7.0
181.10133	13.2
181.12263	10.3
182.10898	8.9
183.11673	21.1
185.13242	17.7
187.11172	6.5
187.14824	11.9
189.12831	12.4
191.14232	4.8
192.09425	4.4
193.10225	11.2
194.10907	10.5
195.11729	21.9
196.12344	8.5
197.13266	22.2
198.13658	4.9
199.11314	3.9
199.14885	10.9
203.14357	9.5
206.10896	6.9
207.11742	8.6
207.13693	4.5
208.12350	8.0
209.13254	27.6
210.13782	4.7
211.14857	18.1
213.12845	4.2
213.16373	8.9
215.14366	5.6
217.15930	7.1
221.13255	11.2
221.15401	45.9
223.14870	12.6
225.12924	7.3
225.16411	7.0
227.14363	6.5
231.11639	5.1
233.15376	19.3
234.13797	4.7
234.16005	5.5
235.14789	6.2
237.16422	5.8
239.17914	4.8
243.17520	4.2
246.53380	4.0
247.14774	7.6
247.17110	4.9
249.16524	6.1
255.17506	4.5
263.18036	5.3
265.19525	7.0
269.19089	6.6
273.18787	5.3
277.19678	5.2
283.20581	6.6
287.20248	6.3
291.21481	4.2
297.22153	4.7
301.21497	5.6
352.23923	5.5
353.24298	6.2
377.23871	3.9
496.34250	4.1
503.36407	7.2
521.35443	5.1
565.40497	5.8
583.41656	14.4
601.42908	60.1
619.61432	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	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	30.2
57.00574	6.3
57.07067	8.6
60.76269	5.3
67.05505	38.8
69.03420	18.9
69.07057	27.3
71.59274	11.9
75.55960	5.5
79.05486	25.0
81.07056	54.1
83.04972	20.7
83.08606	16.6
89.33581	5.7
91.05482	71.7
93.07046	83.5
95.04967	25.2
95.08617	50.6
97.06493	16.0
105.07028	100.0
107.04911	6.4
107.08614	74.1
109.06510	19.2
109.10197	40.5
111.08070	9.9
112.83806	5.4
115.05461	6.0
117.07006	19.5
119.08585	83.0
121.06521	12.1
121.10143	85.2
123.08061	17.2
123.11744	10.7
125.09628	18.3
128.06184	12.2
129.07001	17.7
130.07816	6.1
131.08533	50.1
133.10136	77.6
135.08012	20.3
135.11688	30.5
135.30612	6.2
137.09583	9.5
137.13254	8.5
139.11205	6.6
141.07001	7.8
142.07741	19.2
143.08554	40.6
144.09236	7.5
145.10118	68.9
147.08089	14.6
147.11694	33.7
149.09602	20.7
149.13271	8.9
151.07585	6.5
153.06883	7.2
154.07848	5.9
155.08577	21.6
156.09338	16.7
157.10133	59.9
158.10896	11.3
159.08060	21.9
159.11685	56.2
161.09639	13.1
161.13295	8.7
163.11166	11.2
165.09129	11.6
167.08585	13.2
167.10683	76.6
168.09225	8.6
169.10127	22.2
170.10889	6.3
171.11700	35.5
173.09555	9.9
173.13258	20.2
175.11215	10.1
175.14832	16.7
181.10066	15.4
181.12186	10.2
182.10899	8.7
183.11652	23.6
185.13277	24.5
187.14835	15.5
189.12798	6.7
191.14348	6.6
193.10126	11.6
194.10870	15.0
195.11700	25.3
196.12396	11.0
197.13272	25.9
197.55780	6.0
198.13777	6.8
199.14847	11.8
201.16365	6.4
203.14307	9.2
206.10851	9.9
207.11766	12.1
208.12503	8.9
209.13274	27.1
209.15096	6.7
211.14835	21.5
213.16364	6.2
215.14333	10.5
221.13205	19.9
221.15430	20.6
223.14799	23.5
226.92215	7.5
233.15363	28.2
237.16331	10.3
247.14742	6.9
251.18016	9.3
259.14804	9.5
269.19061	10.4
273.18671	7.9
283.20355	7.2
349.24786	8.3
365.24655	9.5
583.41711	15.5
601.35419	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	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.05513	21.6
57.07074	12.1
65.03935	4.3
67.05514	28.2
69.03426	15.7
69.07066	25.0
71.04977	4.5
76.50376	3.1
79.05498	28.6
81.07065	46.4
83.04974	22.0
83.08620	18.7
85.06552	7.6
87.04470	9.1
91.04272	3.5
91.05491	58.3
93.07044	80.6
95.04974	36.9
95.08601	40.6
97.06549	14.4
97.10195	4.2
103.05473	3.7
105.07040	100.0
105.88322	3.1
106.07361	4.9
107.08598	80.7
108.08923	6.2
109.06536	21.8
109.10165	38.6
111.04422	4.7
111.08099	7.6
111.92442	3.1
113.09641	7.9
115.05505	4.9
116.06231	3.6
117.07011	20.8
119.08595	86.2
119.19269	3.0
120.08823	3.3
121.06501	12.4
121.09307	7.1
121.10151	88.6
122.10519	4.0
123.08071	16.8
123.11724	12.8
125.08868	3.0
125.09601	15.9
128.06242	9.4
129.07010	20.9
130.07759	10.6
131.08588	44.3
133.06490	5.7
133.10132	66.9
135.08061	18.9
135.11684	21.7
136.98697	3.3
137.09634	9.4
139.11232	7.5
141.07004	7.1
142.07791	18.0
143.08572	44.2
144.09348	7.9
145.10124	76.6
147.08075	9.7
147.11699	31.1
149.09636	19.2
151.07587	5.9
151.14851	3.5
153.07054	4.5
155.08580	21.2
155.10672	7.8
156.09396	17.8
157.10141	56.9
158.10861	5.2
159.08047	18.6
159.11707	44.3
161.09595	16.2
161.13268	6.9
163.11200	8.5
165.06981	3.6
165.09163	10.4
166.07721	3.7
167.08531	9.0
167.09180	4.2
167.10684	75.6
168.09325	8.0
169.10136	31.8
170.10873	11.1
171.11705	32.7
173.09668	4.4
173.13283	31.2
175.11238	7.9
175.14787	18.5
179.08548	9.2
180.09357	5.9
181.10103	13.7
181.12250	9.0
182.10959	11.1
183.11719	23.8
184.12306	4.7
185.09622	3.5
185.13293	21.9
187.11220	8.7
187.14841	14.6
189.12755	7.7
191.14240	4.7
192.09286	3.8
193.10114	11.6
194.10884	10.1
195.11739	18.2
196.12477	8.1
196.96902	3.5
197.13254	24.4
198.13843	3.2
199.11133	4.7
199.14815	16.1
201.12868	6.2
201.16376	7.0
203.14423	5.3
207.11668	12.3
208.12430	6.1
209.13248	26.2
209.14992	5.0
210.13968	6.7
211.14806	19.8
213.12842	4.0
213.16429	6.3
215.14429	8.7
217.15837	6.5
219.11586	6.0
220.12498	5.3
221.13234	9.6
221.15425	27.9
223.14813	13.0
225.12764	5.7
225.16400	8.0
227.14363	6.1
233.13243	8.9
233.15407	36.3
234.13809	4.3
235.14767	6.5
237.16429	5.9
239.17973	6.1
247.14784	8.2
249.16383	7.8
251.18047	4.5
253.19542	3.6
255.17377	3.6
261.16428	5.8
263.17996	7.2
269.18970	9.3
273.18839	5.7
275.17828	5.8
277.19568	4.5
279.82321	3.3
281.19077	6.0
283.20584	7.6
285.18802	5.7
287.20346	4.8
289.19449	5.6
291.17426	3.5
291.21063	3.9
295.20529	6.4
299.20126	7.2
301.21634	4.2
301.99930	3.8
343.24139	3.7
379.26044	5.1
445.30777	4.1
491.34625	4.8
503.35739	4.5
565.40491	8.0
583.41748	20.2
601.42822	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.8
53.03926	1.5
55.01855	1.0
55.05509	4.6
57.07079	7.0
59.04975	2.4
62.45403	0.7
65.03925	1.2
67.05511	8.9
69.03434	7.0
69.07065	6.7
77.03925	0.9
79.05499	10.5
81.07060	17.2
83.04983	3.6
83.08589	2.9
85.06511	3.3
87.04464	0.7
91.05482	18.3
92.05756	1.0
92.33698	0.8
93.07051	31.3
94.07344	1.3
95.04977	6.6
95.08606	17.1
97.06505	3.3
103.05425	1.5
105.04490	0.8
105.07037	33.6
106.07326	1.0
107.08604	17.6
109.06511	9.4
109.09600	0.8
109.10171	8.4
111.08091	1.2
115.05443	2.2
116.06216	0.9
117.07009	7.8
118.79470	0.7
119.04961	1.3
119.08588	37.5
120.08884	2.0
121.06526	4.5
121.10154	18.1
123.08074	13.8
123.11713	1.5
125.05978	3.4
125.09680	0.8
128.06213	3.2
129.07022	5.3
130.07747	3.2
131.08588	13.6
133.06483	2.2
133.10138	18.5
134.10449	0.8
135.08061	11.9
135.11705	5.9
137.05933	1.4
137.09619	11.8
139.07532	1.4
141.06967	1.7
142.07817	5.0
143.08595	13.9
144.07434	0.8
144.09296	3.3
145.09041	1.3
145.10139	24.5
146.10510	1.6
147.06947	1.2
147.08049	21.4
147.11713	4.0
149.09602	4.6
149.13263	0.9
151.07564	10.0
151.11198	1.6
153.06940	1.2
153.09093	1.2
154.07791	1.1
155.08562	5.4
156.09436	5.6
157.10149	17.8
158.10725	1.8
159.08022	3.2
159.11710	15.0
160.12151	1.3
161.09631	5.0
161.13292	5.4
163.11182	8.0
165.09131	42.0
166.09430	1.6
167.08525	2.3
168.09335	1.8
169.10139	7.8
170.10913	3.4
171.11703	9.6
172.12294	1.1
173.09639	3.4
173.13243	5.7
174.10338	1.0
174.14302	0.7
175.11189	4.5
175.14815	5.0
177.09149	1.5
177.12796	1.1
179.08528	3.1
179.10660	1.5
180.09320	1.2
181.10266	4.1
181.12212	8.1
182.10909	2.9
182.12497	1.2
183.11694	8.6
184.12238	1.5
185.09592	1.6
185.13271	7.3
186.13622	0.9
187.11172	2.9
187.14824	4.2
189.12738	4.7
190.13496	0.9
191.14278	1.8
192.11423	0.8
193.10146	2.5
193.12083	1.3
194.10902	2.0
195.11690	5.9
195.13556	1.3
196.12411	3.0
197.13301	6.7
198.13600	1.2
199.11180	2.2
199.14769	3.0
201.12752	3.1
201.16441	1.8
202.13336	0.7
203.14334	15.8
204.14702	1.5
206.10872	1.0
207.11676	3.6
207.13802	6.3
208.12457	1.4
208.14317	1.2
209.13248	5.9
209.15175	1.5
211.11302	1.8
211.14844	4.1
212.15492	1.2
213.12677	1.6
213.16322	1.4
215.14261	0.9
217.15785	0.9
219.11739	1.4
220.12271	1.0
221.13503	4.5
221.15370	100.0
222.13841	1.0
222.15723	6.7
223.14836	3.2
224.15419	0.9
225.16396	2.4
227.14334	1.5
229.15726	1.1
231.11594	0.9
231.13751	1.1
233.13246	1.4
233.15378	1.1
234.16153	1.7
235.14635	3.5
235.16843	1.6
237.12775	1.0
237.16408	2.2
239.14180	0.8
239.17903	1.5
241.15912	1.9
247.14674	1.6
247.16933	4.8
248.17450	1.8
249.16319	1.3
263.18091	1.1
265.15881	1.1
265.19498	1.5
269.18845	1.5
271.17020	1.2
274.19238	1.3
275.19952	1.1
277.19684	1.0
283.20593	1.4
285.18475	1.1
286.19321	2.0
287.20056	6.6
288.20380	1.3
293.19003	1.2
295.20618	1.0
297.22113	1.1
299.20084	3.5
300.20868	3.8
301.21683	5.6
311.20343	1.5
312.21072	1.6
313.21393	2.5
325.21606	3.0
326.22198	1.5
340.23828	2.0
341.24487	1.5
349.25409	2.0
352.23965	3.7
353.24393	3.3
364.24362	0.9
365.24698	1.3
367.26324	7.4
375.27045	1.7
378.25360	1.0
393.27917	3.6
421.30585	1.2
427.28473	1.1
428.28662	1.3
440.29321	1.9
441.29562	5.1
455.31308	1.0
484.10208	0.8
491.35291	11.9
509.36334	4.2
521.36053	8.2
565.40625	2.3
583.41571	13.8
592.25745	0.8
601.42450	36.3
602.42621	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.0
54.07598	3.1
55.05512	16.8
55.65807	3.7
55.73788	2.6
57.07077	7.6
59.04985	2.7
65.03934	4.2
66.73357	2.4
67.05500	32.3
69.03431	14.4
69.07066	23.3
70.76653	3.8
70.76997	6.3
79.05491	28.2
81.07056	38.5
82.92073	2.4
83.04978	20.4
83.08614	12.5
85.06567	6.4
91.05482	51.2
91.65803	2.6
93.07045	71.7
93.34612	2.7
94.07359	4.9
95.04971	23.1
95.08606	40.4
97.06524	13.4
102.96250	2.5
103.05476	5.7
105.07034	97.1
106.07333	5.3
107.08596	58.4
108.08959	3.8
109.06542	16.1
109.10168	32.5
111.08096	3.6
115.05473	9.3
116.06251	4.5
117.07014	19.1
119.08580	100.0
119.99763	2.9
120.08897	4.5
121.06519	14.9
121.10152	67.6
123.08087	19.2
123.11706	10.1
125.05971	3.9
125.09622	10.1
128.06233	9.9
129.07018	17.4
130.07826	7.0
131.08578	42.5
132.08904	4.0
133.10139	60.4
135.08041	16.5
135.11707	20.5
137.09636	11.0
139.11215	7.1
141.06960	8.9
142.07799	23.0
143.08577	37.3
144.09290	11.6
145.06464	3.3
145.10130	67.1
146.10516	4.9
147.08008	19.1
147.11700	23.2
149.09633	19.8
151.07538	8.5
151.11128	3.1
152.07936	3.7
155.08559	16.8
155.10638	5.1
156.09334	19.3
157.10146	57.3
158.10757	9.1
159.08055	11.9
159.11700	36.7
160.08728	3.3
161.09621	14.3
161.13255	9.9
163.11180	10.0
165.07042	5.4
165.09099	21.5
167.08594	9.5
167.10684	43.2
168.09383	6.5
169.10164	28.4
170.10896	9.1
171.11703	35.1
172.12222	3.6
173.09605	7.7
173.13223	20.7
175.11214	14.0
175.14835	12.9
177.12685	2.8
179.08606	11.5
180.09329	4.8
181.10124	14.9
181.12195	7.5
182.10873	6.5
183.11693	24.2
184.12320	4.2
185.13269	19.1
186.14030	3.2
187.11182	7.2
187.14793	9.7
187.64856	2.7
189.12775	12.1
190.13269	3.1
191.14224	6.5
192.09291	3.3
193.10103	11.5
193.12225	5.9
194.10910	8.9
195.11682	22.6
196.12370	9.2
197.13234	24.6
198.13744	3.2
199.11218	6.6
199.14795	15.1
201.12726	7.2
201.16362	2.8
203.14311	16.4
205.10063	4.0
206.10957	8.0
207.11710	16.5
207.13704	5.9
208.12415	10.4
209.13268	24.0
209.15164	3.8
210.13663	3.7
211.11351	4.7
211.14841	15.4
212.15367	3.9
213.12766	5.3
213.16383	4.1
214.13139	3.1
215.14235	3.0
217.15849	5.9
219.11633	5.4
219.13771	3.4
220.12450	5.9
221.13261	10.3
221.15349	53.0
222.15749	8.2
223.14748	14.7
224.15306	4.1
225.12720	4.6
225.16376	12.1
226.16966	3.1
227.14291	3.9
231.11667	3.4
233.09657	3.1
233.13260	5.1
233.15359	23.4
234.13892	3.5
234.16072	6.5
235.14882	9.0
236.15463	3.2
237.12785	3.0
237.16551	5.2
241.15717	2.8
245.13312	5.6
247.14734	4.2
247.17017	4.3
249.16400	4.6
250.16965	2.8
251.18089	4.7
253.15823	3.4
253.19681	3.0
255.17690	4.3
256.17801	4.3
257.18958	3.4
259.14673	4.9
261.16336	5.1
262.16757	3.3
263.18039	6.1
265.15753	2.9
265.19485	6.6
269.18930	14.6
273.16180	5.7
275.17700	5.7
277.19644	3.0
283.20563	7.6
287.20078	4.0
295.20462	5.3
297.22220	3.3
299.20105	5.4
301.21826	5.9
304.19955	4.3
311.20020	5.5
313.21793	3.1
331.24127	4.0
335.88971	2.7
347.23923	3.4
349.25281	6.4
351.47913	3.2
352.24020	9.3
353.24304	10.8
353.81219	2.9
365.24548	5.4
366.25256	4.1
367.25964	4.3
379.08557	2.8
503.34988	4.3
509.35434	3.0
521.35858	9.6
565.40295	6.6
583.40930	12.7
601.42834	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	25.3
64.82443	14.2
67.05499	26.6
68.97240	14.3
69.07078	24.5
70.79124	29.2
70.79491	39.2
71.67922	16.1
81.07046	32.2
91.05479	27.3
93.07062	63.8
95.04984	16.6
95.08612	22.9
105.07043	42.5
107.08653	34.3
109.10184	33.7
119.08585	55.5
121.10182	20.1
131.08676	14.8
133.08589	18.8
133.10182	34.7
135.08075	23.8
145.10120	37.5
147.08128	20.4
151.07634	19.1
157.10109	34.1
158.10555	18.0
159.08113	16.0
159.11696	19.7
165.09135	62.4
169.10110	23.7
171.11665	23.1
185.13300	21.7
197.13312	18.1
221.15414	100.0
248.17447	17.2
335.35822	17.2
601.42340	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01880	1.0
55.05513	2.3
57.03440	1.9
65.03928	4.2
67.05500	4.2
69.03432	6.8
69.07070	1.6
71.04982	3.5
71.60041	1.7
73.02902	1.4
79.05484	4.7
81.03418	13.7
81.07063	7.4
83.01360	1.2
83.04984	2.8
85.02905	4.2
91.05477	100.0
92.05819	1.8
93.07036	9.6
95.04939	2.0
95.08587	6.9
97.02888	14.6
97.06527	1.2
99.04447	2.6
105.07044	9.7
106.96539	1.1
107.04955	1.5
107.08579	10.8
107.95793	0.9
109.02877	72.8
109.06516	5.0
109.10171	3.3
111.04454	3.6
111.08064	3.0
115.05465	1.1
117.07024	3.9
119.08574	24.6
119.09354	2.1
121.06487	2.9
121.10135	11.0
123.08064	7.9
123.11712	1.9
125.09627	51.3
127.03912	53.2
128.06238	2.1
129.06992	3.5
131.08545	1.9
131.84315	0.9
133.06480	1.3
133.10126	21.8
135.11662	2.4
137.09618	2.5
139.03934	1.2
141.06984	2.3
143.08568	6.2
145.04945	5.5
145.06503	4.9
145.10178	1.8
147.04286	1.2
147.08011	10.8
149.06078	1.2
151.07664	1.4
151.11183	2.4
159.11743	1.0
161.09596	14.0
163.11153	2.7
165.09119	15.3
171.08075	6.5
175.07541	4.6
179.10670	10.0
181.06432	1.5
187.14836	1.2
189.09091	11.3
199.07530	16.0
207.10159	17.3
217.08580	5.7
225.11208	31.6
249.11185	1.3
267.12189	6.0
271.16980	1.3
289.17923	1.3
290.93451	1.1
313.17877	1.8
315.12509	1.0
327.04758	2.2
331.19058	9.5
333.13327	2.8
349.20227	8.1
351.14444	4.4
367.21194	1.4
391.21130	5.9
439.13733	10.3
457.22137	9.5
475.23373	5.6
497.27191	1.6
567.79474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.2
57.07069	9.4
58.23700	6.4
59.21519	6.9
64.96445	5.9
67.05502	20.3
69.03422	17.3
71.21424	14.3
79.05482	22.3
81.07056	22.5
91.05479	23.8
93.07039	45.7
95.04964	15.1
95.08601	28.7
101.59014	6.7
105.07040	59.5
107.08588	38.4
109.06502	15.1
109.10177	11.3
117.07030	21.6
119.08580	70.1
121.06473	9.3
121.10141	29.1
121.35484	6.5
122.10500	7.0
123.08045	26.5
128.06209	8.0
129.07021	10.3
131.08578	27.7
133.08670	7.3
133.10143	32.9
135.08058	18.2
135.11736	7.3
137.09612	18.4
142.07750	11.3
143.08566	22.8
144.09280	7.8
145.06512	6.5
145.10117	50.3
147.08046	31.4
149.09595	9.9
151.07532	9.6
155.08572	11.6
156.09387	12.7
157.10153	44.4
159.08076	15.9
159.11676	24.5
161.09717	9.6
163.11255	15.4
165.09137	53.7
169.10141	22.3
170.10847	9.1
171.11720	27.3
173.09561	8.2
173.13222	11.2
175.11179	13.7
180.09175	9.2
181.12239	21.7
183.11661	17.8
185.13261	15.1
187.11241	11.3
189.12822	10.1
193.12175	13.4
195.11687	19.1
197.13268	16.2
199.14781	9.4
203.14256	20.1
206.11003	7.4
207.13824	10.4
208.14571	9.9
209.13123	13.1
211.14740	10.0
215.14549	7.7
219.13693	10.3
221.15364	100.0
222.15730	10.6
223.14633	12.9
234.16174	23.0
241.16100	7.6
245.15561	6.7
247.16945	24.1
259.16885	7.9
286.19189	8.8
287.20172	13.3
299.19946	15.8
325.21603	10.7
340.24075	11.9
352.23999	56.8
365.24881	9.4
420.29984	7.9
425.26669	9.7
440.29135	19.0
507.34637	14.6
508.35336	18.2
520.35577	72.8
600.41364	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02700	2.9
53.03938	14.9
54.30596	2.9
55.01869	8.8
55.05521	7.3
56.96583	3.6
57.03442	7.5
58.03403	2.7
59.49614	2.8
61.02935	6.5
67.05508	31.3
69.03436	32.3
69.07066	5.4
70.06591	3.9
70.22680	16.3
71.04990	13.7
73.02914	10.3
79.05487	7.6
81.03425	35.1
81.07050	22.8
83.08637	4.9
85.02907	80.3
85.06589	3.9
87.00842	28.6
91.03976	4.9
91.05498	9.9
93.07047	14.8
95.04984	23.0
95.08604	24.2
97.02897	44.5
97.06538	9.6
99.04456	12.5
105.01880	28.9
105.07030	21.4
106.02898	3.4
106.06563	18.1
107.04969	4.9
107.08614	29.8
108.04504	3.8
109.02882	45.5
109.06533	3.7
109.10162	86.2
113.06015	20.0
115.07600	3.7
117.01888	4.5
117.03407	4.0
119.08603	16.9
121.06540	4.8
121.10149	33.9
123.08030	7.8
123.11688	6.1
127.03922	77.7
127.04810	5.8
129.01892	4.1
129.06952	3.1
131.08606	7.0
133.10130	14.3
135.04408	7.4
135.08075	4.3
135.11705	11.3
137.13182	3.1
145.02852	4.9
145.04973	28.4
145.10136	23.8
147.08112	5.8
147.11688	30.2
149.09619	10.5
157.10101	16.6
159.02887	19.3
159.11687	11.0
161.09589	3.3
161.13246	8.8
163.03935	29.3
163.11217	44.8
169.10091	6.8
171.11694	6.9
173.09598	14.4
173.13295	6.7
175.11192	5.3
185.13205	5.2
191.10693	37.1
193.12244	7.2
199.11104	4.1
199.14816	5.4
201.12701	4.0
203.17783	3.9
209.11687	30.6
213.03972	8.8
215.14320	4.6
227.10518	4.9
227.12770	100.0
227.14914	6.4
229.15800	3.7
229.19444	5.1
231.05037	17.3
239.17892	5.1
253.19528	6.1
255.01599	3.5
257.19022	7.7
263.17874	4.1
271.20590	11.2
281.18912	16.5
289.21622	37.2
299.20026	37.8
317.21133	51.2
329.26358	3.4
335.22131	15.2
439.13925	5.1
457.17264	6.0
565.26575	5.6
600.34418	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	600.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
54.81857	1.0
55.01868	2.4
55.05501	2.6
57.03434	1.9
57.77586	1.0
62.03670	1.1
67.05501	5.2
69.03425	5.5
69.07066	3.9
71.59816	1.7
79.05491	5.0
79.21526	1.0
81.03419	5.2
81.07059	6.3
83.04978	1.6
85.02911	5.1
87.00849	3.4
91.05464	9.4
93.07035	7.7
95.04985	3.7
95.08601	6.5
97.02908	7.6
97.06534	3.0
99.04464	2.5
99.08096	38.1
100.17782	1.0
104.07134	1.2
105.01854	3.6
105.07039	16.4
107.04914	1.3
107.08594	27.8
109.02889	7.0
109.06536	3.0
109.10175	3.2
111.04427	2.0
119.04931	2.0
119.08577	11.7
121.06550	1.2
121.10151	13.6
123.08088	2.9
123.11691	1.7
125.05975	1.8
125.09632	100.0
126.09998	1.3
127.03935	8.4
131.04950	2.6
131.08574	2.3
133.06506	2.0
133.10127	8.7
135.04442	1.7
135.11646	1.8
137.05989	2.9
139.07513	1.7
145.04919	1.4
145.10150	3.6
147.04417	5.0
147.11684	11.6
149.09634	3.3
149.13292	3.4
151.07549	2.3
151.11198	3.0
151.55814	1.0
157.10109	1.4
159.11699	1.7
163.03876	4.2
164.04265	2.0
165.09138	2.0
165.12741	4.3
167.07043	5.7
167.10753	1.3
167.79941	1.2
168.07448	1.8
171.11707	1.4
173.13268	1.5
175.11247	5.2
181.12234	2.7
183.11809	1.8
189.16382	1.2
193.12241	20.7
211.13275	24.5
213.03954	3.9
231.05011	2.0
239.18028	1.1
287.12723	1.0
299.20032	1.9
317.21088	10.0
335.22171	51.0
353.22995	1.6
425.17648	1.4
547.25464	2.2
548.22260	1.3
583.26746	1.5
601.21588	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01868	0.7
55.05516	3.0
57.03430	0.5
57.07071	1.0
65.03945	1.6
67.05225	0.5
67.05509	6.4
69.03419	2.5
69.07068	3.8
70.06596	0.7
70.73270	1.7
71.04992	1.1
73.02898	0.7
76.56710	0.5
77.03895	0.5
79.05495	4.6
81.03412	1.6
81.07057	8.1
83.04981	1.6
83.08613	3.6
85.02899	3.9
85.06521	0.8
87.00818	2.2
91.05478	10.7
93.07040	9.2
95.04975	1.4
95.08604	16.5
97.02371	0.5
97.02895	3.5
97.06525	1.6
97.90073	0.6
99.04461	1.1
99.08060	0.8
103.05457	1.1
105.01855	3.9
105.07029	15.4
107.04945	1.3
107.08595	11.8
109.02870	3.5
109.06506	1.9
109.10152	9.8
111.04442	9.3
111.08047	0.9
115.05437	1.0
117.07009	4.6
119.08578	100.0
120.08910	0.6
121.06506	1.6
121.10136	7.9
123.08081	2.2
123.11710	2.8
125.05959	1.1
127.03922	5.4
127.07575	0.7
129.06999	1.0
131.08569	4.3
133.06470	1.5
133.10126	18.0
135.04425	1.1
135.08069	3.1
135.11674	3.3
137.05984	1.3
137.09633	2.7
137.13232	2.0
139.07550	1.9
141.06946	0.9
142.07805	1.5
143.08536	3.6
144.09338	1.4
145.04945	2.1
145.10120	10.0
147.04370	0.8
147.08028	1.4
147.11681	8.7
147.38950	0.6
149.05952	1.3
149.09578	1.3
149.13225	1.0
151.07509	1.0
151.11180	1.0
153.06999	0.7
153.09085	1.8
155.08594	3.1
156.09383	1.3
157.10109	7.4
159.02965	0.8
159.08054	0.7
159.11693	12.7
161.09595	0.9
161.13202	2.8
163.03912	1.9
163.11087	0.9
165.09090	1.5
165.12827	0.7
167.07021	0.9
167.10695	1.7
169.10103	4.2
170.10841	1.3
171.11673	6.3
173.09679	2.8
173.13231	4.9
175.11229	2.1
175.14833	1.4
177.09088	1.3
177.12785	0.6
179.10646	0.8
181.10092	0.9
181.12209	2.4
182.10876	1.0
183.11725	7.0
185.09688	0.6
185.13257	4.7
187.11205	2.3
187.14809	2.7
188.15652	0.8
189.09109	0.8
189.12747	2.1
189.16399	1.6
191.10645	1.6
193.12170	1.0
195.11732	1.0
197.09537	0.8
197.13249	6.4
199.11201	2.1
199.14844	2.9
201.09042	0.8
201.12729	2.5
201.16364	2.9
203.10634	1.1
203.14465	0.7
205.12212	1.1
207.11789	1.1
207.13699	0.7
209.13371	0.6
211.11130	2.5
211.14752	3.1
213.03990	1.2
213.12608	1.5
213.16418	1.0
215.10632	0.9
215.17979	0.8
217.12238	5.4
219.13747	1.4
221.13327	1.2
225.12689	1.6
225.16660	0.6
227.17874	0.6
229.12267	2.8
231.04971	4.0
231.13766	1.2
235.13202	3.4
237.16429	1.2
239.14282	2.1
239.17953	3.8
243.13817	2.5
249.06067	1.2
253.19450	5.9
257.15384	1.5
257.19003	0.9
262.07098	1.6
263.17944	1.2
271.20627	0.8
281.18973	7.3
284.09738	2.1
299.20038	32.3
300.20349	0.8
304.75671	0.6
317.21106	83.0
318.21579	1.4
453.80130	0.6
591.26935	0.5
592.18793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
54.83006	0.8
55.05503	1.5
57.03436	1.0
67.05492	2.9
69.03436	4.3
69.07052	2.5
69.33166	6.8
69.33572	1.8
69.71111	0.8
70.06555	1.1
71.04996	1.2
79.05486	4.8
81.03407	4.8
81.07059	7.6
83.08636	1.0
85.02901	12.8
87.00806	7.4
87.09227	1.0
91.05476	8.1
93.07034	8.3
95.04980	2.2
95.08596	11.9
97.02882	11.6
97.10195	0.9
98.21498	1.7
99.04439	2.5
105.01856	14.7
105.07021	12.3
107.04911	0.9
107.08584	9.8
109.02871	13.5
109.06510	2.0
109.10159	5.1
111.04452	3.5
115.75656	0.7
117.07004	2.8
119.08572	32.9
121.06495	1.0
121.10126	5.8
123.07993	1.2
127.03909	18.2
127.04801	1.5
129.06985	1.3
131.08583	4.1
133.06496	1.0
133.10115	12.1
135.08032	2.5
135.11699	2.6
137.05957	1.1
137.09628	1.6
139.07585	0.9
141.71222	0.9
143.08578	2.9
144.09387	0.8
145.04941	5.4
145.10114	7.5
146.04626	0.9
147.11679	7.6
155.08548	1.3
157.10114	5.7
159.11678	10.0
161.09570	1.4
161.13202	4.7
163.11201	1.1
165.06914	0.8
165.09091	1.0
169.10112	2.5
171.11691	3.7
172.12352	0.8
173.09563	1.1
173.13245	4.0
173.66600	1.0
179.10654	0.8
181.12219	1.1
183.11690	2.8
185.13245	2.3
187.11198	2.0
187.14810	1.4
189.16391	2.6
191.10666	1.3
193.02663	0.9
193.10262	0.8
195.11652	1.7
197.13269	4.3
199.11177	1.7
199.14844	1.8
201.16403	3.1
205.12283	1.2
209.13335	1.0
211.11295	0.9
211.14717	1.7
213.03917	2.8
215.10625	1.1
217.12238	1.5
219.13774	1.3
225.12825	1.0
229.12216	2.1
231.05014	9.6
231.13887	1.2
239.14342	1.4
239.17877	2.4
243.13794	2.8
249.06061	3.5
253.19408	4.6
255.21039	1.3
257.15363	0.8
263.17957	1.1
281.18967	5.0
299.16620	1.6
299.20029	31.8
317.21094	100.0
318.21509	2.8
335.22174	1.5
358.23831	3.2
407.22195	1.1
511.22842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05514	0.7
61.02890	0.5
65.03940	0.7
67.05508	1.0
68.05047	0.6
69.03424	1.1
70.06243	0.8
70.06595	9.8
71.04992	0.9
71.59084	1.2
79.05495	1.2
81.03400	1.7
81.07043	0.7
83.04973	1.4
84.08141	0.8
85.02876	1.4
86.09701	0.6
89.03909	4.4
91.05485	1.4
93.07059	0.9
95.04977	2.6
97.02882	0.7
105.07016	0.6
107.01408	0.5
107.04944	1.9
109.02899	0.8
111.04418	1.2
117.03374	5.6
119.04946	0.5
120.04496	0.7
120.08099	0.9
121.02876	0.6
121.05241	0.8
121.10123	0.7
123.04446	1.2
123.31684	0.6
127.03896	0.7
135.04405	10.7
136.03947	1.2
136.06186	10.4
137.02356	4.0
138.05466	0.8
139.03920	0.6
144.08086	2.3
145.02838	9.3
145.03969	0.7
147.04538	0.6
148.03983	0.6
148.07568	2.5
149.04700	0.9
149.08380	0.6
155.08159	0.8
162.09158	1.7
163.03903	48.8
164.04199	0.6
172.07610	1.5
174.09129	2.5
176.07068	9.3
177.07848	31.6
178.05022	1.5
178.08632	17.1
179.07076	0.7
181.05019	0.8
186.05470	4.0
190.05014	1.1
190.08548	4.5
192.10175	6.3
194.08119	1.1
200.07086	4.1
202.08627	47.4
203.08945	0.7
204.06555	12.5
205.07245	0.6
206.08112	0.8
211.15303	0.5
218.08124	31.8
220.09686	14.8
222.07556	3.1
236.09163	6.0
246.07625	15.2
249.11316	1.1
264.08685	19.7
323.48642	0.6
333.42365	0.6
337.09225	2.1
392.13492	1.7
420.12903	0.8
438.13956	31.4
439.14359	1.3
554.16595	1.1
582.27173	1.2
600.17108	100.0
600.33386	3.2
601.17249	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	600.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
65.03941	1.2
67.05495	0.5
69.03416	0.2
69.07088	0.2
70.06597	0.4
71.04992	0.2
71.58169	0.1
79.05502	0.6
81.03433	0.5
81.07047	0.7
83.04985	0.4
85.02897	0.8
86.09711	0.2
87.08134	0.3
91.05479	10.2
93.07048	0.5
95.04981	0.3
95.08601	0.7
97.02883	0.3
99.04450	0.1
99.08102	0.5
103.05475	0.6
105.07021	0.9
107.08604	1.0
109.02878	0.4
109.10171	0.6
111.04469	0.4
119.04943	23.4
119.08572	1.2
121.10120	0.4
123.11736	0.2
125.09628	0.1
127.03926	0.5
131.04918	1.1
131.08601	0.2
133.10115	0.4
135.11659	0.4
145.10149	0.2
147.04407	100.0
147.11671	0.9
148.04750	0.9
151.11168	0.2
159.11699	0.2
161.13219	0.3
163.03886	0.6
167.07126	0.2
167.08562	0.2
169.10092	0.2
171.11749	0.2
175.14835	0.2
184.07373	0.4
187.14865	0.3
189.16389	0.2
201.16385	0.2
203.17955	1.8
209.11720	0.1
235.16966	0.1
235.20621	0.4
252.23256	0.9
301.03494	0.2
317.21216	0.2
335.22220	1.5
407.12061	0.2
453.33542	0.2
459.27026	0.2
629.24414	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	600.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
60.02084	0.2
63.19794	0.2
64.23965	0.2
65.03937	1.1
67.05507	0.4
69.03458	0.2
71.60631	0.2
81.03404	0.2
81.07067	0.6
83.04990	1.3
85.02892	0.5
89.10577	0.2
91.05485	10.8
93.07066	0.5
95.04993	0.3
95.08607	0.8
96.04509	0.2
103.05485	0.4
105.07034	0.4
107.08611	0.5
107.90057	0.2
109.10160	0.5
109.30116	0.2
111.04435	0.9
119.04945	25.2
119.08599	0.8
120.05309	0.2
121.10135	0.3
124.03963	1.0
127.03934	0.3
129.05504	0.2
131.04951	0.6
131.08582	0.3
133.10106	0.4
135.11679	0.3
145.10133	0.5
147.04413	100.0
147.11668	0.5
148.04747	1.2
157.10150	0.2
159.11707	0.5
161.13239	0.4
163.14838	0.2
173.13274	0.3
175.14838	0.2
177.16455	0.3
179.04939	0.2
185.98807	0.2
187.14857	0.4
189.16417	0.6
199.14867	0.2
201.16451	0.6
242.68571	0.2
268.08154	0.4
272.20819	0.2
407.33224	0.3
453.33499	0.5
454.33994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
60.02084	0.2
63.19794	0.2
64.23965	0.2
65.03937	1.1
67.05507	0.4
69.03458	0.2
71.60631	0.2
81.03404	0.2
81.07067	0.6
83.04990	1.3
85.02892	0.5
89.10577	0.2
91.05485	10.8
93.07066	0.5
95.04993	0.3
95.08607	0.8
96.04509	0.2
103.05485	0.4
105.07034	0.4
107.08611	0.5
107.90057	0.2
109.10160	0.5
109.30116	0.2
111.04435	0.9
119.04945	25.2
119.08599	0.8
120.05309	0.2
121.10135	0.3
124.03963	1.0
127.03934	0.3
129.05504	0.2
131.04951	0.6
131.08582	0.3
133.10106	0.4
135.11679	0.3
145.10133	0.5
147.04413	100.0
147.11668	0.5
148.04747	1.2
157.10150	0.2
159.11707	0.5
161.13239	0.4
163.14838	0.2
173.13274	0.3
175.14838	0.2
177.16455	0.3
179.04939	0.2
185.98807	0.2
187.14857	0.4
189.16417	0.6
199.14867	0.2
201.16451	0.6
242.68571	0.2
268.08154	0.4
272.20819	0.2
407.33224	0.3
453.33499	0.5
454.33994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	22.3
57.07062	12.8
59.63995	4.3
67.05164	6.4
67.05502	73.2
69.07068	28.5
71.04980	6.6
71.08617	10.7
71.58075	6.1
71.58573	5.1
76.03580	4.1
79.05484	30.3
81.07059	100.0
83.08616	15.8
84.04486	4.8
85.06519	6.4
85.10164	4.0
91.05463	28.7
93.07039	32.2
95.04945	4.0
95.08604	79.6
97.06533	8.0
97.10170	5.1
105.07027	16.9
107.08616	25.3
109.10148	35.5
119.08574	24.2
121.10161	22.8
123.11700	13.5
123.60937	3.9
131.08556	8.4
133.10112	9.2
133.99953	4.7
135.08101	4.4
135.11670	11.7
137.09518	5.2
137.13208	6.7
145.10129	6.8
147.11647	11.8
149.13268	7.7
159.11736	7.0
161.13271	9.5
173.13235	5.0
175.14787	3.7
177.16298	3.5
179.14307	6.7
194.44823	4.1
194.49574	3.7
241.64841	3.7
243.21143	9.9
261.22052	22.5
279.23102	39.1
285.24115	5.2
297.24057	5.6
353.26871	35.7
371.28119	5.8
413.02689	4.8
599.40057	6.5
599.49066	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01868	2.1
55.05258	1.3
55.05509	18.5
57.03433	4.1
57.07073	16.6
60.20826	0.9
65.03940	1.3
65.10510	0.9
67.05503	77.2
69.03384	0.9
69.07069	25.6
69.57374	3.1
69.57792	5.2
71.04990	6.6
71.08627	10.2
78.75150	0.8
79.05489	30.5
81.07055	100.0
83.04974	2.1
83.08611	17.7
85.06539	5.5
85.10165	5.6
91.05478	21.0
93.07037	36.0
95.04954	3.8
95.08604	90.7
97.06516	7.1
97.10165	10.4
99.08103	3.4
105.07024	14.9
105.07675	1.3
107.08588	24.1
109.06509	2.2
109.10152	36.4
111.08087	3.7
111.11720	2.8
117.07019	3.9
118.32927	1.0
119.08580	15.7
121.10139	23.5
123.08078	2.3
123.11700	13.6
125.09618	2.6
131.08583	11.0
133.10133	14.1
134.55859	0.9
135.08081	1.5
135.11687	18.0
137.09641	2.7
137.13242	7.5
137.50743	0.8
139.11209	2.5
145.10115	11.0
147.11693	12.7
149.09602	1.9
149.13231	8.0
151.11180	3.6
151.14862	2.6
153.12708	1.3
159.11697	5.6
161.13245	9.6
163.11160	2.3
163.14856	3.6
165.12799	4.2
167.10725	1.2
173.13293	3.6
175.14868	4.2
177.12781	1.3
177.16382	2.2
179.14339	6.7
181.12355	2.0
187.14839	3.4
189.61189	1.2
195.13803	1.7
196.53575	1.0
200.51001	1.0
205.16055	1.4
209.15417	1.7
211.20593	3.3
223.16985	1.9
243.21072	7.7
261.22131	20.8
275.67380	1.0
279.23169	33.9
285.24243	8.7
297.24246	4.0
332.82162	1.0
335.25903	2.7
353.26840	46.1
359.25266	0.9
371.27832	5.6
581.47791	1.0
599.48859	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.0
55.05513	23.8
57.03448	3.0
57.07077	17.4
58.91282	2.4
65.03930	3.3
67.05506	77.9
69.07065	27.8
70.87775	5.6
70.88112	4.4
71.04987	6.7
71.08635	12.5
79.05489	28.2
80.85497	2.1
81.07054	100.0
83.04991	2.3
83.08612	15.2
83.21085	2.8
85.06544	7.7
85.10178	4.6
91.05473	19.3
93.07046	34.4
95.04990	3.1
95.08607	87.8
97.06516	7.2
97.10168	7.7
99.08074	3.7
105.07012	20.4
107.08593	20.8
109.10151	40.5
111.08043	5.5
117.07037	5.3
119.08582	15.3
121.10159	22.0
121.29578	2.5
123.08159	3.3
123.11701	15.5
125.09596	3.4
131.08553	11.0
133.10165	12.0
135.11688	22.4
137.13275	6.0
145.10167	11.2
147.11681	10.3
149.13248	6.3
151.11128	3.1
151.14883	3.4
159.11740	6.1
161.13242	9.5
163.14824	5.7
165.12743	4.0
169.24956	2.3
173.13264	3.4
175.14792	4.1
179.14310	4.0
187.14818	5.2
211.20592	3.0
243.21106	8.8
261.22171	20.7
279.23199	27.8
285.24222	5.1
297.24033	3.8
319.26755	2.7
353.26883	20.7
371.27728	3.8
385.45767	2.6
454.95132	3.0
489.23422	2.8
489.43738	2.9
599.48981	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4096
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03943	2.7
55.05511	11.2
57.07074	5.3
59.05004	3.6
67.05509	17.4
69.03428	8.0
69.07069	15.6
69.58604	5.9
69.59026	4.7
79.05499	15.5
81.07064	26.8
83.04990	5.6
83.08630	6.1
85.06552	4.1
91.05478	22.7
93.07055	43.2
95.04973	13.0
95.08608	21.5
97.06545	5.4
103.05488	2.2
105.07033	36.6
107.08601	25.2
109.06506	7.7
109.10156	11.9
111.08061	1.7
111.11761	1.9
113.09597	1.7
115.05473	2.8
117.07020	8.7
119.08579	36.9
121.06535	5.7
121.10148	53.1
123.08095	15.9
123.11729	4.4
125.05990	2.2
125.09670	4.3
127.30280	1.5
128.06244	3.6
129.07007	5.3
130.07832	3.2
131.08578	14.0
133.06543	5.0
133.07539	2.4
133.10138	23.6
135.08060	9.1
135.11739	7.3
137.09644	6.2
139.11211	4.1
141.07027	3.3
142.07756	6.4
143.08562	13.9
144.09367	4.0
145.06560	1.6
145.10133	25.2
147.08047	11.0
147.11670	7.4
149.09636	14.1
149.13306	2.5
151.07555	16.0
153.09047	1.6
155.08549	7.5
156.09360	7.4
157.10123	19.4
158.07277	1.7
158.10945	3.9
159.08115	6.2
159.11694	14.1
161.09683	5.1
161.13310	4.9
163.11232	3.8
165.07018	3.0
165.09123	8.4
165.45758	1.7
167.08508	4.1
167.10690	83.9
168.09363	2.8
169.10158	9.1
170.10970	3.4
171.08064	2.5
171.11681	13.8
173.09648	4.0
173.13274	9.0
175.11227	3.5
175.14851	5.9
177.12706	2.1
179.08609	4.6
179.14423	1.5
180.09415	3.2
181.10153	6.6
181.12300	4.7
182.10939	4.1
183.11678	10.9
184.12442	1.7
185.09669	2.9
185.13284	8.9
186.10408	1.5
187.11264	4.4
187.14902	7.1
189.12839	6.3
191.08626	1.8
191.14366	3.2
192.09428	1.6
193.10202	5.7
194.10904	3.1
195.11736	9.4
196.12555	2.5
197.09561	1.6
197.13240	10.5
199.11253	3.4
199.14896	3.7
201.12793	2.7
201.16524	2.1
203.14336	5.2
205.10310	1.4
205.15970	1.8
206.10997	2.6
207.11771	7.4
207.13882	6.7
208.12573	2.6
209.13306	9.7
209.15225	2.1
211.11356	2.3
211.14856	8.1
213.12827	4.6
213.16338	2.4
215.14386	3.6
217.10196	2.1
217.15918	3.0
218.11121	1.6
219.11787	2.4
219.13788	1.6
220.12595	2.1
221.13264	6.3
221.15443	23.6
223.11218	2.8
223.14861	5.7
224.15738	1.7
225.12851	2.1
225.16347	3.3
230.04141	1.5
231.11816	2.6
233.13287	3.9
233.15372	31.3
233.21965	1.4
234.13847	2.7
235.11086	1.8
235.14827	4.0
235.17041	1.5
236.15648	2.0
237.12956	1.8
237.16554	3.0
239.17978	3.0
241.19516	1.7
242.12610	1.4
245.13303	3.2
247.14864	3.8
249.16551	2.3
251.18066	1.8
257.13492	2.0
257.18848	2.4
258.14020	1.8
261.16550	2.7
263.18057	2.5
265.19455	2.1
271.20612	1.7
273.16214	2.9
275.17868	3.1
277.19614	1.4
281.18976	2.5
283.20557	1.6
287.20309	2.4
291.17731	1.7
299.20178	5.4
305.19019	1.5
311.20178	3.4
313.21771	1.5
347.23593	1.8
353.24625	1.4
363.23032	2.1
365.24957	3.6
373.25406	2.9
375.23047	2.0
377.25009	2.5
391.26495	4.2
393.24326	3.3
401.28571	1.8
563.38757	4.3
571.41284	2.4
581.39844	21.3
599.41016	100.0
599.49677	3.7
600.41681	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4102
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03947	2.6
55.05510	6.5
57.07064	4.1
59.05001	3.2
59.35154	2.1
65.03924	3.2
67.05508	17.4
67.95517	1.8
69.03432	7.0
69.07072	8.3
70.00640	11.9
78.56696	2.1
79.05494	12.9
81.07056	19.5
83.05005	8.1
83.08617	3.9
85.06542	2.1
89.59348	1.9
91.05482	20.7
93.07044	26.8
95.04947	10.5
95.08603	11.8
97.06547	5.7
97.10163	2.9
98.21467	2.9
98.98492	2.4
105.07035	33.7
107.04965	2.7
107.08594	26.2
109.06517	8.2
109.10162	12.5
111.08128	2.2
117.07045	4.8
119.08589	26.7
121.06506	3.8
121.10149	34.1
123.08050	11.7
123.11737	5.6
125.06019	2.9
125.09628	3.9
128.06236	6.7
129.07027	7.3
131.08586	14.7
133.06549	2.8
133.10133	20.3
135.08055	12.4
135.11668	5.2
137.09662	4.2
139.07559	2.2
141.07019	4.0
142.07793	9.5
143.08577	18.1
144.09410	4.6
145.06560	1.9
145.10144	23.7
147.08054	9.7
147.11720	8.8
149.09654	10.5
151.07555	12.6
155.08604	8.6
156.09404	7.0
157.10143	20.4
158.10934	4.0
159.08081	7.4
159.11742	13.3
161.09637	8.0
161.13289	3.5
163.11221	7.5
165.09102	14.6
167.08537	3.9
167.10690	26.5
169.10152	10.0
170.10918	3.9
171.11758	17.1
173.09691	2.9
173.11865	2.0
173.13301	5.8
175.11227	4.7
175.14775	3.1
175.42065	1.9
179.08607	4.5
180.09357	3.9
181.10133	8.0
181.12274	7.1
182.10893	4.3
183.11693	10.8
185.09634	3.6
185.13327	7.4
187.11215	5.7
187.14902	3.1
189.12784	4.1
191.14314	4.1
193.10287	4.3
194.10913	3.1
195.11743	6.7
196.12532	2.7
197.13300	7.7
199.11217	3.2
199.14900	5.2
201.12706	2.8
203.14336	4.7
206.11012	2.8
207.06500	2.4
207.11772	6.0
207.13866	8.4
208.12469	2.7
209.13329	8.6
209.15302	2.7
210.14117	2.4
211.14932	7.3
213.16432	4.3
215.14459	3.3
217.15808	2.0
219.11708	2.2
220.12488	2.8
221.13358	4.7
221.15306	23.5
223.14890	3.9
225.12772	2.7
225.16451	3.9
229.15839	3.8
232.12521	2.9
233.13257	4.7
233.15317	19.6
235.14885	4.7
235.17062	2.1
239.18062	2.8
245.13269	3.1
247.14809	3.7
247.17110	4.2
249.16475	3.2
257.19083	4.5
261.16531	2.6
267.17578	2.5
273.16187	2.4
281.18970	5.5
285.18616	2.3
286.19397	2.5
299.20135	5.9
311.20108	2.5
312.20862	2.7
343.22940	2.9
365.24860	2.6
373.25119	3.2
377.24847	4.0
391.26273	3.8
423.28146	2.0
425.28549	2.9
507.34796	25.8
563.39227	3.6
581.31213	3.4
581.39777	19.0
599.41010	100.0
600.31726	2.8
607.37695	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20998	0.2
50.67100	0.2
51.24537	0.2
53.03945	0.5
55.05509	1.5
57.07078	3.8
65.03941	0.4
67.05508	7.6
69.03432	0.5
69.07069	8.6
70.06606	0.8
71.08627	1.0
71.60867	0.3
71.61278	0.4
79.05494	5.5
81.07058	100.0
82.07388	0.9
83.08622	0.3
86.09667	0.3
91.05492	1.2
93.07054	2.1
95.04968	0.6
95.08607	44.4
96.08965	0.5
97.02903	1.0
98.98467	5.0
105.07021	1.2
107.08588	1.2
109.10146	2.5
111.04428	0.3
113.98435	0.2
119.04916	0.6
119.08600	1.5
121.10140	0.4
123.08076	3.3
126.45956	0.2
127.03930	0.5
130.76320	0.2
131.08650	0.2
133.10158	1.4
135.08067	0.3
137.05940	0.4
137.13257	69.6
138.13599	0.8
141.09106	0.7
145.10132	0.5
147.04431	2.1
147.08043	0.8
155.08176	0.6
159.11707	0.4
161.09665	0.6
163.07570	0.3
165.09129	0.9
177.05420	0.4
179.10718	0.7
181.66092	0.2
189.09117	0.9
191.14354	0.4
207.10172	1.0
210.14893	0.4
223.09639	0.4
225.11195	3.0
235.10933	7.1
235.13174	0.5
328.26944	0.2
329.17752	0.4
347.18448	0.7
365.19745	2.3
385.24362	0.6
599.30017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.9
55.01870	6.6
55.05508	4.0
57.03418	3.2
67.05510	11.7
69.03429	15.7
69.07078	7.0
70.75628	3.6
71.04984	3.9
79.05493	13.2
81.03423	23.7
81.07066	14.9
83.04977	4.1
83.08621	2.8
85.02914	9.6
91.05495	19.6
93.07057	26.2
95.04987	8.4
95.08613	21.8
97.02901	22.2
97.06545	5.1
99.04467	8.4
103.05444	3.1
105.03384	2.4
105.07036	40.4
106.07408	4.2
107.04977	6.5
107.08600	24.0
109.02892	43.1
109.06531	9.6
109.10164	12.5
111.04456	17.5
111.08088	4.2
113.05971	2.5
117.07012	7.0
119.04884	3.2
119.08591	53.8
121.06493	12.7
121.10157	23.0
123.04432	100.0
123.08075	8.6
123.11715	4.3
125.09632	7.2
127.03077	4.3
127.03938	51.4
129.06999	6.2
131.04939	5.9
131.08592	7.4
133.06514	12.3
133.10138	30.6
135.07231	2.3
135.08022	12.9
135.11717	9.5
137.05959	15.3
137.09644	8.3
137.54079	2.1
139.07631	3.0
143.08583	8.9
145.04980	7.2
145.06467	6.4
145.10143	9.4
147.04416	9.6
147.08052	25.6
147.11681	5.5
149.05986	9.6
149.09613	8.3
151.03937	7.7
151.07532	10.4
151.11267	3.5
156.09457	2.3
157.06502	5.3
157.10161	8.6
159.08044	3.3
159.11731	7.8
161.06004	23.1
161.09630	25.7
162.06339	7.1
163.03888	4.9
163.07549	6.4
163.11205	9.9
165.05521	3.3
165.06975	2.7
165.09138	25.0
167.07114	5.7
169.10107	2.6
171.08154	2.9
171.11711	3.5
173.06030	6.6
173.09616	2.9
173.13315	3.8
175.07565	12.1
177.05482	3.6
177.09067	3.3
179.07060	6.8
179.10713	16.5
181.04979	4.6
181.06590	2.5
183.11780	2.9
185.09659	4.3
185.13249	4.1
187.07556	4.4
187.11177	2.9
189.05550	2.6
189.09113	24.6
191.10683	9.1
192.11038	2.4
193.08652	15.2
194.08971	8.0
197.09709	4.7
197.13191	2.3
199.11252	4.0
199.14815	2.8
201.05464	6.7
201.12811	2.6
203.07109	7.4
203.10661	3.1
207.10175	28.5
209.08064	2.9
213.05484	7.8
215.07014	4.4
217.12274	3.6
219.06538	3.7
225.09023	5.6
225.11203	83.1
225.13318	4.5
229.12306	8.7
231.06540	15.7
231.13834	9.6
237.16351	3.2
239.10800	4.4
241.12286	3.0
249.07607	9.7
249.11189	2.5
267.12207	5.0
269.19058	3.2
279.17590	2.5
297.18661	5.3
315.19595	26.3
321.14847	11.1
327.19672	3.2
333.13602	3.6
333.20697	9.6
351.14456	5.3
351.21420	3.2
419.22498	2.9
437.23053	12.4
441.22415	2.9
459.23709	3.6
527.24554	3.6
545.25122	18.4
563.26465	13.3
599.26868	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.3
51.55700	1.1
53.03940	4.5
55.01855	2.9
55.05497	4.3
59.37651	1.2
65.03959	1.5
67.05510	8.5
69.03428	9.1
69.07063	3.3
70.01014	3.3
70.01411	2.8
71.04997	2.3
77.03923	1.9
79.05497	8.2
81.03413	16.1
81.07059	12.5
83.04985	9.2
83.08625	1.8
85.02911	7.5
91.04950	2.3
91.05480	22.0
93.07053	18.5
95.04439	1.1
95.04955	6.5
95.08609	16.4
97.02364	1.4
97.02904	14.6
97.06533	2.1
97.10184	1.4
98.21409	1.8
99.04461	3.0
101.19521	1.2
103.05460	2.4
105.03404	1.3
105.07030	22.7
107.04932	4.3
107.08603	19.8
109.02889	31.5
109.06510	6.2
109.10155	12.5
109.63792	1.1
111.04449	17.7
111.08102	2.8
111.09131	1.2
115.05460	2.1
117.07037	5.2
119.04948	16.1
119.08598	42.8
119.09460	2.1
121.06501	4.9
121.10151	13.5
123.04435	100.0
123.08053	5.4
123.11728	4.5
125.05966	1.3
125.09633	1.4
127.03924	38.7
128.06221	2.7
129.07004	6.2
131.04910	5.3
131.08559	6.6
133.06512	5.8
133.10133	31.3
135.04501	1.4
135.08044	8.9
135.11681	5.7
137.02405	3.1
137.05966	8.5
137.09584	4.5
143.08559	7.3
145.04956	2.5
145.06479	4.1
145.10129	10.3
147.04419	70.1
147.08037	20.0
147.11667	5.5
147.92313	1.3
149.06009	10.4
149.09624	5.3
149.13240	2.4
151.11177	3.4
155.08566	1.4
156.09361	1.4
157.06461	4.3
157.10130	5.0
159.08093	2.4
159.11690	6.5
160.05144	2.0
161.05980	6.3
161.09630	18.5
161.13249	4.3
163.07637	2.7
163.11182	2.3
165.09103	16.5
167.03345	3.1
169.06569	1.6
169.10149	3.7
171.08075	2.2
171.11681	2.9
173.05997	5.1
173.09668	2.0
173.13261	5.0
175.07562	10.1
175.14809	3.8
177.09036	2.1
177.16443	2.8
179.10670	12.9
181.10089	3.2
182.11047	1.9
183.11679	2.3
185.05972	3.6
185.09671	2.7
185.13281	2.9
187.07539	5.1
187.11180	2.3
187.14824	4.8
189.05464	3.3
189.09119	16.1
189.16359	5.2
191.10678	1.7
193.10159	2.0
195.11716	3.0
196.00584	1.1
197.06024	1.7
197.09700	1.5
197.13289	1.5
199.11150	3.5
199.14732	1.4
201.05484	7.8
201.16364	4.1
203.07050	7.3
203.10695	4.9
203.17946	1.8
205.08417	1.3
207.08231	2.2
207.10129	17.7
209.09720	1.7
209.11644	1.6
211.11211	1.4
211.14821	3.0
213.05573	7.4
213.09134	1.7
213.16380	3.0
215.07092	6.2
215.10681	3.0
215.18045	1.6
217.12244	3.8
219.06531	4.1
219.17426	3.0
221.08044	3.7
223.11119	1.8
225.11220	61.5
225.16273	2.1
227.07100	2.5
227.10616	2.2
229.08502	1.4
229.12230	4.3
231.06558	14.5
231.13762	7.7
239.10646	3.9
240.07870	1.3
241.12262	3.0
247.16870	1.5
249.07607	10.7
251.10901	2.4
255.10214	2.9
255.13814	2.1
255.17447	1.3
257.11703	2.0
267.12244	4.7
269.18924	1.8
279.17413	1.6
287.19745	1.5
293.15408	2.3
297.18542	3.4
303.13818	3.0
303.17032	1.4
305.11621	1.8
315.19577	18.9
319.13324	2.8
321.14844	9.8
325.17853	1.4
327.19440	4.2
331.19312	1.6
333.13229	1.7
333.20624	1.6
339.15976	2.6
351.14462	4.0
407.33099	2.7
419.22174	4.8
425.15811	1.7
435.32938	2.2
437.23322	10.7
453.33542	3.9
459.23749	1.6
471.34329	2.3
509.21774	1.4
527.24072	4.4
545.25433	17.1
563.26453	15.2
581.26794	2.4
614.97296	1.5
619.13074	1.6
625.95117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.4
53.03933	5.6
55.01860	3.7
55.05502	9.9
55.56039	1.9
58.41311	1.6
65.03922	2.2
67.05501	13.2
68.99773	3.3
69.03438	10.3
69.07063	9.6
69.62801	4.6
69.63214	10.8
71.04984	6.4
73.20094	1.7
79.05493	14.3
81.03412	19.7
81.07053	23.2
83.04979	33.9
83.08604	5.1
85.02900	12.6
85.06556	2.0
91.05470	25.1
93.07033	28.5
95.04983	15.4
95.08602	34.4
96.34521	2.1
97.02868	18.9
97.06517	5.6
99.04470	3.4
103.05476	3.4
105.03358	2.6
105.07024	35.1
107.04933	5.7
107.08591	31.9
109.02876	27.4
109.06504	7.1
109.10143	23.1
111.00806	6.9
111.03705	2.6
111.04436	39.2
111.08067	5.1
113.06035	2.2
115.05442	2.6
117.07004	10.1
119.04932	5.5
119.08570	65.9
121.02861	2.9
121.06491	8.5
121.10159	23.0
123.04420	100.0
123.05322	4.8
123.08066	10.0
123.11662	4.2
125.05951	2.6
125.09621	2.1
127.03918	41.5
128.06187	2.0
129.05473	4.1
129.06969	4.8
131.04921	4.7
131.08572	12.7
133.06447	6.0
133.10118	38.1
135.08014	10.0
135.11665	9.3
137.05957	11.5
137.09627	6.7
141.06976	2.6
143.08556	9.7
145.04980	2.3
145.06465	5.1
145.10107	22.4
147.04399	19.9
147.08057	21.2
147.11714	12.3
149.05966	6.9
149.09589	9.0
149.13254	6.9
155.08493	2.5
157.06404	2.6
157.10146	9.2
159.08060	3.3
159.11696	20.7
161.05959	6.5
161.09599	17.8
161.13229	19.4
163.03915	3.8
163.07559	7.3
163.11235	5.1
163.14864	9.8
165.09119	23.8
167.07037	16.7
167.08327	3.1
169.10094	3.8
169.92183	2.1
171.08057	2.2
171.11668	6.5
173.05946	5.3
173.09657	3.1
173.13220	10.6
175.07545	11.9
175.11118	2.2
175.14812	9.0
177.09099	2.1
177.16338	8.2
179.10684	11.7
181.04930	5.1
181.10117	4.3
183.11760	3.9
185.09555	2.3
185.13306	3.3
187.07486	4.4
187.14787	17.5
189.05400	2.2
189.09114	17.0
189.12758	2.6
189.16380	17.2
191.06860	2.6
191.17860	2.3
193.15999	3.0
197.13249	4.4
199.07520	2.4
199.11009	3.3
199.14845	5.1
201.05446	4.1
201.09047	2.5
201.16341	21.6
203.07031	7.2
203.10657	3.3
203.14207	2.1
203.17935	7.5
207.06540	4.9
207.10173	21.4
211.14751	3.6
213.05405	5.8
213.12709	2.9
213.16382	5.8
215.06975	9.6
215.10634	2.4
215.17921	8.6
217.12354	4.0
217.15866	5.5
219.17413	5.7
221.08037	3.5
225.11183	55.3
225.16290	2.8
227.07036	2.5
227.10661	2.6
229.12247	4.6
231.06566	11.5
231.13838	8.4
231.17485	3.3
233.08080	4.1
235.16862	4.2
237.16425	2.6
239.10677	3.0
239.17703	2.5
241.19507	2.8
249.07524	6.8
249.11353	2.8
251.09154	4.2
253.12123	2.4
255.10112	4.7
257.11609	4.3
261.18439	4.6
267.12296	5.0
267.20865	2.2
269.19147	4.3
273.18625	2.2
297.18497	4.5
309.18332	2.7
315.19504	16.0
319.13248	2.7
321.14749	8.5
327.19489	3.1
333.13211	4.9
339.16025	3.5
351.14395	3.9
389.32178	3.0
395.29312	6.3
407.33084	12.9
419.22229	3.2
423.32449	2.6
435.32828	9.8
437.23199	10.3
453.33649	24.0
459.23846	2.2
471.34650	2.8
497.25446	2.0
509.32077	3.0
527.23987	3.2
527.33618	4.4
545.25134	17.4
545.33887	3.8
563.26501	15.1
563.34729	3.7
581.26630	2.9
599.38812	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	599.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.1
53.03942	6.6
53.81938	1.7
55.01875	5.8
55.05510	3.4
65.03930	2.5
67.05501	14.4
69.03423	8.5
69.07060	5.3
70.05397	10.4
71.04982	4.6
79.05489	17.3
80.60111	1.6
81.03422	19.3
81.07057	23.3
83.04966	6.2
83.08587	2.5
85.02908	10.9
85.06542	2.1
91.05470	21.6
93.07045	30.7
95.04950	10.7
95.08607	22.2
97.02887	23.0
97.06503	2.2
99.04451	4.8
103.05432	3.9
105.03389	1.9
105.07030	27.5
107.04949	6.6
107.08595	25.9
109.02878	41.4
109.06494	8.3
109.10148	13.0
109.15705	1.8
111.00735	3.3
111.04446	13.6
111.08092	4.0
115.05434	3.4
115.87959	1.7
117.07013	8.7
119.04941	2.6
119.08588	58.8
121.06495	12.3
121.10149	18.1
123.04426	83.5
123.08051	11.7
123.11669	6.1
127.03921	53.4
128.06262	2.3
129.06982	5.7
131.04945	5.8
131.08559	10.7
133.06532	3.7
133.10130	44.0
135.04420	2.2
135.08061	15.6
135.11667	7.3
137.02362	2.1
137.05948	11.1
137.09616	6.6
143.08580	9.6
145.04915	4.2
145.06461	6.2
145.10138	7.5
147.04422	9.4
147.08041	23.1
147.11697	3.5
149.06001	15.0
149.09572	12.7
151.07547	2.9
151.11151	6.1
151.65710	1.9
153.06772	2.0
155.08598	3.5
157.06479	4.5
157.10120	5.0
159.11681	5.9
161.05989	7.3
161.09615	28.4
163.03891	6.8
163.07576	9.7
163.11212	5.2
165.05553	2.6
165.09129	29.0
167.03398	4.6
169.10077	2.4
171.07993	3.0
171.11653	3.1
173.05969	9.9
173.13214	3.5
175.07538	9.0
175.11139	2.4
177.09085	2.6
179.10663	22.9
185.05887	4.6
185.13223	2.4
187.07584	2.6
187.11179	2.3
189.05508	3.7
189.09114	25.4
191.07007	2.5
195.11713	2.4
197.13304	3.2
199.11217	3.2
201.05510	10.8
201.09111	2.5
203.07101	11.7
207.10139	32.5
211.07535	2.8
213.05466	6.0
213.09099	2.3
213.12897	2.5
215.06955	2.2
215.10756	3.8
219.06548	4.9
225.11215	100.0
227.07037	3.3
227.10733	2.6
229.12369	4.4
231.06551	18.8
231.13835	12.5
239.10648	2.4
241.12338	3.8
243.13861	3.0
249.07538	14.9
257.14938	2.1
266.14099	2.7
267.12210	5.7
273.18280	2.1
297.18372	4.0
304.92422	2.1
315.19543	32.9
320.14215	2.2
321.14771	16.8
333.13409	5.8
339.15805	3.7
351.14343	7.5
383.32178	2.0
394.97653	2.0
425.07877	2.0
425.16217	2.8
437.16104	2.6
437.22968	6.0
441.22217	2.9
459.24011	2.2
461.71033	2.1
484.02271	2.0
544.19269	2.1
545.25482	16.8
563.26044	11.9
579.37482	2.2
599.34540	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	598.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17103	0.7
53.03944	0.9
55.01859	0.7
55.05506	4.7
57.03432	1.1
57.07056	2.0
67.05173	0.8
67.05501	11.7
69.03415	3.1
69.07069	5.8
70.75764	2.2
71.04991	3.6
75.15578	0.6
77.99398	0.7
79.05497	5.1
81.03407	1.1
81.07052	13.6
83.08605	3.6
85.02914	7.0
91.03950	0.7
91.05477	4.7
93.07037	14.2
95.04987	3.4
95.08602	77.0
97.02894	2.7
97.06536	1.5
97.10136	2.2
99.04443	3.8
105.07030	9.1
107.04945	0.9
107.08588	22.8
109.06539	0.9
109.10150	26.6
111.08029	0.9
111.11757	0.7
117.06947	1.5
119.08581	18.9
121.10137	22.4
123.07968	1.5
123.11697	9.8
125.05999	4.4
125.09679	0.8
127.03902	1.3
131.08562	3.8
133.06424	1.3
133.10124	18.2
134.95348	0.6
135.08018	0.9
135.11682	28.9
137.07652	0.8
137.09593	1.0
137.13243	2.6
139.07526	2.4
141.37868	0.8
143.08542	1.0
145.04956	1.4
145.10094	8.1
147.11678	14.3
149.13260	8.3
151.14807	0.8
153.12766	1.9
156.09320	0.8
157.10091	1.7
159.11697	9.6
161.13239	11.7
163.03886	1.8
163.11256	1.5
163.14824	7.3
169.10104	1.0
171.11656	2.3
173.13264	9.8
175.11156	1.0
175.14836	4.3
177.12665	1.1
177.16432	0.8
179.10828	0.7
180.08650	2.8
181.12268	5.5
185.13322	1.1
187.14803	10.0
189.12746	1.6
189.16367	5.4
191.14290	1.0
191.17918	2.7
193.12251	1.9
197.13283	2.1
201.12697	0.8
201.16368	6.4
203.17937	39.7
204.28654	0.8
207.13803	5.5
211.14734	1.7
213.16405	1.7
215.14227	1.5
215.17941	2.5
217.15987	1.0
219.13750	1.5
221.15329	3.6
228.35255	0.7
229.15872	1.7
233.15308	6.5
237.72369	0.7
241.19398	0.8
243.17291	1.3
243.21082	3.1
247.17015	1.9
257.22629	27.3
259.24173	1.2
267.21027	7.5
285.22086	26.4
303.23157	100.0
304.23230	0.8
315.19504	0.8
401.26575	1.4
419.27701	1.6
461.61465	0.8
533.89038	0.8
599.33704	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01871	0.7
56.27610	0.4
60.04527	2.2
67.05495	1.0
69.03416	2.2
69.04562	0.8
69.07072	2.7
70.06636	0.5
71.05013	0.8
71.08630	0.7
71.60131	0.9
72.04507	1.0
75.05588	0.7
78.68522	0.5
79.05489	1.9
81.03407	2.0
81.07056	2.0
83.04982	1.2
83.06131	0.5
83.08643	0.9
85.02895	3.7
85.06586	0.6
86.09705	100.0
87.00822	0.5
91.05481	1.5
93.07076	2.6
95.04942	0.6
95.08627	2.1
96.24615	0.5
97.02892	2.2
97.06527	2.1
98.09692	8.7
99.04486	1.3
99.05598	2.7
99.08118	0.6
103.05480	0.8
105.01879	1.0
105.07034	4.1
107.04983	1.6
107.08602	2.0
109.02879	2.0
109.06522	0.6
109.10178	1.2
111.04449	1.2
111.05634	0.7
115.04009	0.6
117.06664	1.8
119.08588	2.4
121.06503	0.7
121.10165	1.8
126.09169	1.2
127.03947	3.9
127.05050	6.0
127.12312	0.5
128.10722	0.8
131.04889	0.8
131.08569	0.8
133.06456	1.0
133.10132	3.2
135.08069	1.1
135.11720	0.7
137.03497	0.7
137.05957	2.7
139.05031	3.7
143.08524	1.0
143.11797	17.4
144.07803	0.6
145.05127	0.8
145.06085	4.3
147.04413	1.5
147.08110	0.6
147.11688	0.9
148.04762	0.6
151.03864	0.7
153.10242	0.8
154.15904	5.7
155.04570	0.6
155.11758	2.4
156.07678	2.3
157.06139	0.9
159.11755	0.6
161.05986	1.9
161.09644	2.1
162.08852	0.8
163.03931	2.9
163.11191	1.7
166.06154	1.0
167.07068	4.9
167.08348	0.8
167.11861	3.0
168.07431	1.6
171.11282	8.8
172.83430	0.5
175.14738	0.7
177.05482	1.5
179.07182	0.6
179.10579	0.6
181.05008	2.4
181.09822	0.9
182.05284	0.7
183.11374	3.4
184.07176	6.9
185.12859	6.1
187.07672	0.7
189.12439	0.6
191.06967	0.9
191.10741	0.7
193.08661	2.2
195.06583	0.8
195.11298	4.5
196.07190	1.0
197.13228	0.6
199.18169	1.7
202.08218	2.9
207.10120	2.6
209.11792	0.6
211.18056	20.9
212.13976	0.7
213.03941	0.8
213.09868	1.2
213.12401	4.4
219.10989	0.7
222.12364	1.5
224.14020	1.5
227.17590	0.8
228.13545	2.7
230.15111	0.8
231.05038	0.7
234.12309	0.7
239.17561	8.4
240.13387	3.7
241.09265	1.8
252.13441	8.4
255.17703	0.7
258.14520	2.4
259.09991	2.1
260.09933	0.6
266.18781	0.6
269.16129	3.9
269.21170	2.0
270.14484	6.2
273.18594	1.6
278.18671	0.6
281.16162	0.8
284.19815	1.5
287.17093	3.8
296.19791	2.4
297.15503	2.4
297.18622	1.0
309.15674	1.9
313.22433	1.0
315.16589	2.6
315.19766	2.3
316.07178	0.6
317.21277	1.4
326.18225	2.1
327.16653	1.5
333.20508	3.1
336.16595	0.7
337.14758	0.6
337.22421	1.3
341.21915	1.5
344.19461	1.3
352.26022	1.0
353.21942	0.9
354.17801	2.3
355.23526	1.7
365.21909	1.9
367.28296	0.5
372.18964	1.4
382.24533	1.4
383.22916	6.2
388.14783	1.1
400.25687	2.1
409.28223	1.0
410.23987	3.5
421.25400	0.8
422.24213	1.3
426.31033	1.1
428.25052	2.5
439.26770	1.5
440.25134	2.4
449.25000	1.3
454.30551	1.4
457.27722	5.7
467.26132	11.8
478.30472	1.2
483.33203	0.7
485.27246	11.3
485.33658	0.9
496.31448	5.4
511.31696	0.7
523.32495	2.0
525.34003	1.2
534.33667	1.0
535.32617	0.8
544.32312	1.2
550.33179	0.6
552.35229	3.7
553.33514	3.8
562.33447	7.7
570.26935	0.9
570.36078	20.7
580.34515	34.4
598.35504	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	598.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05499	1.6
59.04736	1.2
59.05001	11.8
62.44713	0.7
62.45031	0.8
67.05490	2.0
69.03418	2.6
69.07053	2.3
70.06579	1.6
70.66296	1.7
76.62507	0.8
79.05482	5.2
81.03405	5.1
81.07066	7.0
85.02895	3.7
87.00812	1.7
89.03926	4.6
91.05466	8.6
93.07040	16.2
95.04961	2.6
95.08591	2.2
97.02892	7.4
97.06552	0.9
99.04475	1.6
105.01914	1.0
105.07011	11.2
107.04941	1.7
107.08593	18.8
108.05240	0.9
109.02879	7.2
109.06558	1.1
111.04422	1.7
117.03410	5.0
119.04935	2.4
119.08564	3.0
121.10136	1.2
127.03913	7.3
129.07008	1.6
131.08578	4.5
133.10138	1.6
135.04424	13.8
135.08022	1.7
135.11694	19.5
141.07011	1.4
143.08554	3.8
145.02849	13.0
145.10118	3.0
147.04410	14.5
153.05540	0.8
155.08549	6.8
157.10165	7.5
159.11673	7.8
163.03903	100.0
163.14594	0.9
164.04214	2.6
167.07030	4.7
167.08395	0.9
169.10120	2.4
169.12219	3.2
171.11771	3.9
173.13297	1.7
175.14804	1.3
179.08528	1.2
181.05023	6.2
181.10007	2.2
183.11694	2.8
185.09671	1.1
185.13283	2.0
195.11665	4.3
197.13278	2.7
197.41360	0.8
209.13214	3.7
211.14838	6.4
213.04004	1.1
213.16388	6.5
221.13136	1.4
225.12688	1.1
227.17961	2.6
235.14970	1.6
237.16487	5.6
251.18044	1.5
253.15854	1.4
255.17461	10.8
257.15445	2.1
261.16354	2.5
273.18390	1.8
279.17502	2.9
297.18469	5.6
315.19540	50.7
316.19717	1.0
319.62894	0.8
393.08264	1.3
395.09641	3.4
411.09229	25.1
412.09219	1.1
506.73773	1.0
552.19336	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	598.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01859	0.6
55.05499	1.9
59.05000	0.7
65.03963	1.0
67.00536	0.6
67.05173	1.1
67.05505	14.5
69.03426	4.9
69.07056	2.1
69.62421	5.1
79.05492	2.5
81.03407	1.2
81.07056	6.8
82.39841	0.6
82.71207	0.5
85.02901	2.1
85.06553	0.7
87.00806	0.7
87.71229	0.7
90.39154	0.5
91.05476	5.2
93.07055	6.7
95.04998	1.2
95.08601	11.4
97.02893	11.6
97.06534	1.7
99.04453	0.8
103.05447	0.7
105.07033	9.3
107.04964	0.7
107.08596	9.7
108.38704	0.6
109.02918	1.4
109.06522	2.4
109.10155	100.0
110.10469	0.7
111.04443	1.8
111.08078	1.8
113.06036	1.0
115.03935	0.7
117.07007	1.4
119.08582	20.5
121.06494	1.6
121.10149	5.1
123.08060	4.1
123.11692	1.7
127.03932	1.8
129.06961	0.8
131.08572	1.8
133.06538	1.5
133.10120	16.4
135.08054	3.9
135.11688	2.0
137.05969	1.8
137.09618	2.8
137.13229	4.7
143.08574	2.5
145.04948	1.4
145.06459	0.9
145.10124	2.4
147.08032	10.6
147.11728	0.8
148.08881	0.6
149.06032	0.7
151.11160	1.3
157.10139	1.0
159.11697	2.0
161.09627	10.9
163.07588	1.1
163.11214	1.1
165.09116	13.1
167.07111	0.7
171.11633	0.7
173.09564	0.8
177.09103	0.8
179.10681	9.6
185.09660	0.8
185.13223	0.8
187.11165	0.9
189.09113	9.1
189.10747	1.0
207.10159	13.9
225.11223	53.9
226.11603	0.8
266.13974	0.8
269.18771	0.9
273.18387	0.7
287.20041	1.1
297.18402	2.1
315.19577	6.6
333.20602	11.1
463.34174	0.6
617.23291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01864	2.7
55.05500	3.3
57.03442	1.2
61.02924	2.2
65.03954	1.9
67.05223	0.9
67.05511	8.7
68.99771	3.1
69.03432	18.6
69.07076	3.1
70.12743	4.1
71.04990	1.5
79.05498	14.3
81.03426	15.2
81.07059	13.2
81.84006	0.8
83.04967	1.9
83.08615	1.3
85.02917	8.7
87.00826	3.5
91.05486	12.5
93.06480	1.3
93.07049	25.5
95.04964	5.2
95.08614	14.5
97.02885	9.7
97.06525	3.6
99.04450	4.1
105.01853	2.4
105.07031	21.6
107.04942	3.0
107.07868	1.7
107.08598	33.5
109.02884	12.9
109.06506	7.7
109.09457	1.8
109.10159	25.1
111.04452	8.6
111.08109	2.0
112.09274	0.8
115.05431	1.4
117.07030	5.3
119.04918	1.5
119.08583	28.3
121.06503	8.0
121.10142	11.5
123.04414	1.5
123.08073	6.7
123.11740	4.5
124.34633	0.9
125.05962	1.4
127.03923	77.4
128.06215	1.5
129.01826	3.8
129.06993	2.3
130.07785	1.3
131.08580	7.3
133.06476	3.3
133.10130	21.3
135.08054	30.5
135.11670	7.2
137.05966	3.0
137.09642	3.1
137.13274	1.6
139.07527	1.3
141.70653	0.9
142.07790	1.0
143.08563	6.2
145.04973	3.5
145.06476	2.1
145.10126	6.9
147.08044	13.4
147.11691	3.2
149.05968	1.2
149.09601	10.1
149.13255	1.5
151.11206	2.8
152.05644	1.0
153.09044	1.4
155.08574	1.6
156.09332	0.9
157.10112	5.5
159.08046	2.3
159.11678	6.4
161.05959	1.1
161.09631	18.2
161.13269	2.3
163.03932	1.2
163.11125	4.8
165.09129	14.5
169.10162	1.2
171.08002	1.4
171.11688	3.4
173.09651	2.6
173.13258	3.1
175.11203	4.2
175.14868	2.2
177.12758	2.2
179.10661	11.4
181.10075	2.7
181.12216	2.3
183.11682	1.6
185.09682	2.3
185.13243	2.2
187.06042	2.1
187.11166	3.5
189.09073	8.9
195.11720	1.8
197.09641	1.8
197.13263	1.9
199.11192	5.8
201.08969	1.3
201.12686	1.6
203.10718	1.4
205.12209	2.6
207.10175	16.2
207.11995	1.8
211.14938	1.4
213.03922	9.3
213.12874	2.1
217.12267	3.2
225.09030	2.3
225.11218	34.9
225.16374	1.0
231.04996	13.1
241.12251	1.3
251.17982	1.8
255.17377	2.5
269.18921	2.5
273.18488	2.3
279.17340	2.2
287.20078	7.2
297.18481	12.6
307.35754	1.0
313.18015	1.2
315.19562	100.0
317.13467	1.0
333.13495	5.2
333.20633	14.6
339.19519	1.2
341.12369	1.1
344.45721	0.9
351.14423	7.3
399.21509	1.1
405.20450	2.7
423.21661	2.5
437.14380	2.3
441.22736	6.1
455.16077	1.0
459.23950	6.5
501.24582	2.8
527.22729	7.1
545.23846	26.7
563.24896	14.3
613.99152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01872	1.2
55.05513	3.2
57.07057	1.0
65.03947	1.8
67.05510	6.5
69.03422	4.4
69.07071	4.4
69.74298	4.1
69.74706	1.8
71.04991	1.6
79.05503	5.9
81.03426	4.9
81.07052	6.5
83.04996	2.5
83.08622	3.7
85.02919	7.3
87.00820	8.0
91.05484	11.7
91.21896	1.0
93.07059	10.7
95.05033	2.1
95.08617	10.4
97.02899	15.5
97.06524	2.1
99.04469	2.7
105.01867	13.5
105.07034	11.6
107.04956	2.5
107.08603	18.6
107.09306	1.9
109.02895	18.8
109.06538	2.1
109.10165	32.9
111.04464	7.9
111.08104	1.2
115.98978	0.9
117.07023	3.3
119.04916	1.1
119.08588	25.6
121.06514	3.8
121.10146	14.2
122.07277	1.2
123.04400	1.0
123.08068	3.0
123.11713	2.7
125.05982	2.9
125.09631	1.3
127.03926	24.8
129.07027	1.8
131.08586	4.2
133.06502	1.1
133.10138	15.4
135.08057	12.4
135.11719	5.9
137.05981	2.7
137.09637	1.6
139.07523	1.1
142.07806	1.8
143.08571	6.5
144.09319	1.2
145.02867	1.8
145.04967	4.6
145.10120	9.1
147.04430	1.5
147.08049	2.6
147.11697	5.4
149.09631	16.9
151.03926	1.0
155.08571	2.4
156.09340	2.7
157.10155	11.4
158.10942	1.6
159.03014	1.1
159.11687	12.5
161.09630	3.9
161.13280	2.7
163.03928	2.1
163.07547	1.3
163.11189	1.2
165.09155	3.0
167.07097	1.9
167.08516	1.1
169.10086	5.7
170.10968	2.5
171.08105	0.8
171.11693	13.4
173.09602	1.7
173.13257	9.8
175.11246	1.3
175.14789	1.7
177.05495	4.0
177.16560	0.9
178.05911	1.3
179.10690	2.0
181.04962	1.1
181.10143	1.8
182.10925	1.0
183.11728	4.0
183.42865	0.9
184.12505	2.8
185.09657	2.2
185.13264	10.8
186.14124	2.5
187.11212	4.6
187.14857	8.9
189.09138	2.1
189.16371	5.8
191.10669	3.3
193.10168	1.1
194.11047	1.2
195.11697	5.3
197.13298	5.7
199.11159	8.1
199.14845	13.7
201.09105	1.0
201.12737	1.5
203.10710	1.8
205.12247	2.7
205.15865	1.1
207.11775	1.5
209.13257	4.7
211.11270	1.1
211.14859	2.7
213.03957	9.3
213.12733	2.6
215.10753	2.3
217.12262	7.4
217.15895	2.7
219.01857	0.9
219.13934	1.6
221.13290	1.4
223.11221	2.8
223.14827	2.7
225.12823	0.9
225.16434	3.4
227.10745	1.4
227.17992	6.0
231.04993	17.7
231.13780	1.6
235.14856	1.2
237.12740	1.7
237.16402	3.1
241.19589	3.9
243.14067	1.0
249.06110	2.5
251.14601	1.0
251.17914	4.9
253.19528	1.6
255.13824	1.3
255.17513	2.5
267.17474	2.1
269.19009	8.4
279.17453	5.7
285.18472	3.9
287.20053	26.6
297.18518	33.7
315.19571	100.0
316.19946	1.7
333.20633	7.6
460.88657	0.9
608.53021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79247	1.2
53.03957	2.5
54.75393	1.1
55.05498	1.2
57.23123	0.9
57.69438	1.0
59.05007	6.7
66.01048	1.0
66.43673	1.0
67.05502	1.9
69.03419	4.4
69.07063	1.8
70.06586	1.1
71.04979	1.8
71.59248	1.6
74.58073	1.0
79.05493	7.4
81.03413	4.5
81.07056	9.1
83.04991	1.5
85.02905	3.7
89.03937	3.8
91.05480	8.1
93.07040	20.0
95.04991	2.8
95.08607	1.9
97.02907	7.0
99.04423	2.4
103.05509	1.2
103.64677	0.9
105.07021	6.5
107.04949	2.8
107.08602	20.7
109.02892	8.3
109.10162	2.8
111.04437	2.1
117.03385	4.7
119.04948	2.8
119.08604	1.5
127.03932	8.9
129.07086	1.1
129.12675	1.0
131.08568	3.4
135.04422	13.1
135.11684	21.0
143.08580	1.3
145.02841	10.9
145.06500	1.2
145.10159	1.2
147.04402	18.8
155.08549	3.7
157.10132	3.0
159.11731	2.6
163.03906	100.0
164.04263	3.0
164.22581	1.0
165.05464	1.5
167.07079	7.6
169.10101	1.6
169.12257	4.0
171.11650	2.8
181.04991	7.3
191.06978	1.3
195.11711	1.9
198.34328	1.2
209.13318	1.7
211.14778	3.2
213.16379	4.3
237.16415	3.3
255.17517	5.1
257.15475	1.8
258.52505	1.2
279.17487	1.9
297.18607	2.2
307.07962	1.1
315.19547	31.7
395.09882	5.1
411.09232	26.8
579.43732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
54.65994	0.3
55.05498	1.2
57.03439	0.5
63.02397	0.4
65.03941	0.6
67.01853	0.5
67.05479	1.0
69.03432	2.1
69.07053	1.1
69.46438	0.6
69.46841	3.1
71.04987	0.7
76.49227	0.3
77.03932	0.5
79.05494	3.8
81.03411	4.2
81.07053	2.0
85.02906	2.1
86.48707	0.4
87.00810	0.6
89.03912	4.0
91.05479	5.1
93.07044	16.2
95.04949	1.4
95.08598	1.6
97.02889	5.1
97.06508	0.5
99.04447	1.6
105.04467	0.4
105.07025	1.3
107.04952	1.7
107.08591	18.0
108.08981	0.4
109.02872	6.5
109.06531	0.9
109.10153	0.7
117.03371	5.8
127.03913	6.2
133.10153	0.5
135.04414	15.0
135.11688	10.2
145.02837	11.6
153.86101	0.4
163.03899	100.0
164.04230	1.1
165.90102	0.4
167.07068	0.4
181.04980	4.8
186.05481	0.5
213.03897	0.5
244.93988	0.4
269.15292	0.4
307.08057	1.2
393.08179	0.5
411.09195	25.9
412.09537	0.8
431.60406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05498	0.3
57.03422	0.3
57.42795	0.2
58.72433	0.2
59.04987	0.3
63.02362	0.4
63.74414	0.3
67.01851	0.8
67.05486	0.2
69.03428	2.6
69.07044	0.7
71.04984	2.4
73.06547	0.5
79.05475	1.1
79.16685	0.2
81.03417	3.5
81.07050	2.6
85.02894	1.8
87.00827	0.7
89.03912	3.6
91.05470	0.5
93.07054	2.1
95.04936	0.5
95.08588	0.7
97.02288	0.3
97.02885	4.8
97.06493	0.3
98.03206	0.3
98.20786	0.6
99.04446	1.2
104.04572	0.2
105.07026	0.5
107.04948	1.6
107.08584	2.1
109.02876	5.4
109.10142	0.7
110.36292	0.2
117.03379	5.6
119.08594	0.4
127.03918	4.9
129.01811	0.3
135.04411	13.1
135.11682	3.8
136.04776	0.3
137.06058	0.2
145.02846	10.4
145.03992	0.5
147.07999	0.3
153.12740	13.0
163.03896	100.0
164.04233	1.9
167.06998	0.5
181.04947	4.1
186.05377	0.5
213.03906	0.6
231.04971	0.2
243.13847	0.6
258.16193	0.2
261.14896	0.5
265.05774	0.2
271.05942	0.3
279.16122	0.2
289.07190	0.3
294.10184	0.2
301.89597	0.3
303.40399	0.2
307.08136	1.3
347.15237	0.3
363.71133	0.2
365.15808	0.5
383.16867	0.6
393.08084	0.6
411.09213	28.5
412.09512	0.5
482.43298	0.3
563.20886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01868	1.1
57.03422	1.2
61.02923	1.1
63.37155	0.6
67.05508	0.9
69.03426	3.7
69.07058	1.1
70.06593	0.9
71.59285	0.6
73.02920	1.2
76.44875	0.8
78.04690	1.0
79.05496	3.9
81.03421	13.2
81.07065	7.3
84.04484	1.0
85.02436	0.7
85.02911	14.3
91.03957	0.6
91.05479	3.8
93.07059	1.7
95.04951	2.3
95.08598	2.1
96.44125	0.8
97.02902	4.8
97.06554	0.8
103.05468	2.7
105.07025	5.1
107.04946	8.9
107.08610	1.7
109.02883	1.3
109.10139	1.3
115.05452	6.3
117.07022	14.5
119.04930	0.6
119.08581	3.2
121.10106	0.9
123.04431	2.9
124.05202	2.1
125.05982	1.3
127.03930	6.4
128.06219	0.9
129.06995	2.8
130.04121	1.2
131.04959	1.3
131.08560	3.7
132.05739	0.7
133.06485	2.8
133.10078	1.7
135.11690	1.9
137.13225	1.9
140.60423	0.8
141.06952	1.6
144.05725	2.7
145.04965	4.6
145.06490	32.7
147.04390	2.4
147.08086	1.0
149.06003	1.0
152.04665	1.2
155.06039	2.7
155.07130	0.9
156.05690	6.2
157.06473	1.9
159.08067	6.2
160.05217	1.1
161.05962	5.2
163.03902	1.6
163.06065	0.8
167.07056	50.6
169.06424	0.9
169.07684	0.9
173.05997	59.5
174.06543	1.0
175.03928	0.8
175.07553	1.5
177.05502	1.5
180.08716	5.9
181.05038	1.1
181.08612	1.3
183.06563	1.0
184.05208	2.8
186.06714	0.8
187.07565	7.6
190.06258	34.9
191.07007	3.0
193.08592	3.9
202.06241	3.0
203.07031	5.7
203.17938	1.8
205.08614	100.0
206.08937	1.3
207.06535	1.4
209.08083	0.9
215.07019	1.1
217.08611	42.5
219.08223	1.0
219.10190	5.6
221.19064	2.0
223.09592	3.1
231.08035	1.2
232.08847	0.7
235.09657	31.9
247.07529	1.4
247.09708	8.0
248.08260	1.6
261.08978	0.9
263.10394	1.3
264.07840	0.8
265.10757	39.6
271.09650	2.0
275.07074	1.0
279.10184	1.1
290.09616	0.9
291.10318	1.9
307.09607	0.9
308.10327	0.9
315.08560	5.4
323.12781	2.1
325.11005	1.0
330.11002	7.3
331.11868	3.7
336.10138	0.8
337.10382	0.9
339.12051	1.9
341.14078	0.7
341.24307	0.8
343.11575	1.2
351.12299	4.7
363.27567	0.7
369.13266	0.9
371.14902	3.1
383.14871	12.3
401.15961	12.6
459.10693	0.9
469.24289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
59.05001	1.8
67.05503	2.0
69.03440	2.3
69.07056	1.3
71.04991	12.2
73.06541	4.3
79.05505	5.2
81.03412	4.0
81.07061	17.4
85.02912	1.4
87.36503	1.0
89.03900	2.0
91.05489	2.4
93.07060	8.8
95.08609	2.7
97.02901	6.1
97.06570	1.2
107.04942	1.7
107.08599	8.1
109.02874	4.9
109.10143	4.3
115.15514	1.1
117.03356	1.5
121.80359	0.9
127.03890	4.7
132.33818	0.9
135.04404	10.5
135.11688	18.2
145.02847	8.5
153.12747	100.0
154.13074	1.4
163.03903	70.0
164.04308	1.2
181.04964	5.5
181.06334	1.2
230.44801	0.9
262.20230	1.1
278.12524	1.0
411.09265	33.5
412.09610	1.4
478.34821	1.0
528.39941	1.1
612.96771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01876	2.6
55.05510	22.8
55.46262	0.8
57.03443	6.7
57.06822	1.2
57.07078	17.4
58.65205	0.8
59.05006	1.2
65.03938	3.8
66.86044	0.9
67.05504	100.0
67.96992	0.8
69.03426	1.7
69.07068	23.1
70.89182	1.8
70.89507	0.9
71.04996	13.7
71.08632	10.4
79.05492	49.4
81.03401	1.3
81.07056	91.4
83.04991	4.9
83.08629	14.0
85.06536	14.1
85.10185	6.1
91.05482	37.8
93.07042	65.2
95.04988	7.4
95.08605	55.9
97.06528	6.9
97.10168	13.1
99.08088	15.8
105.04549	1.8
105.07034	30.4
107.05065	1.0
107.08593	42.0
109.06525	2.6
109.10154	39.9
111.08087	6.6
111.11747	1.1
115.05444	1.4
115.07606	1.0
117.07027	8.6
119.08587	23.2
121.06551	1.5
121.10143	53.6
123.08080	2.1
123.11701	10.5
125.09647	7.6
128.48659	0.9
129.07004	3.9
129.22012	0.9
131.08568	14.4
131.27524	1.0
133.06458	0.9
133.10133	24.0
133.11081	1.8
133.50212	0.8
135.08095	2.7
135.11688	45.3
137.09625	4.1
137.13254	1.8
139.11247	1.6
143.08557	5.8
145.10120	13.1
147.11674	16.0
149.09660	2.3
149.13271	17.2
151.11191	3.0
151.14905	0.9
153.12769	1.1
155.10683	1.7
157.10165	4.1
159.11696	11.9
161.09703	1.2
161.13260	12.0
163.11180	3.8
163.14821	4.0
165.12750	1.0
171.11687	6.0
173.11760	10.8
173.13303	8.2
175.11266	0.9
175.14819	7.0
177.12770	6.0
179.14366	2.4
181.12286	3.0
185.13274	8.6
187.14807	1.5
189.11217	4.9
193.15947	2.7
195.13829	3.9
199.14873	3.4
203.12749	1.5
209.15332	2.1
211.20659	2.7
213.16499	2.6
221.15451	3.9
229.14339	5.5
231.21082	1.8
235.16966	2.7
241.19527	10.9
259.20575	24.0
277.21625	43.1
285.24210	10.3
295.22711	6.5
333.24329	3.0
351.25278	29.3
369.26328	12.4
527.41248	0.9
579.37964	1.2
579.46387	3.6
597.47656	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68644	1.1
53.03945	5.5
53.41882	1.1
55.01870	2.8
55.05511	22.1
55.80115	1.1
57.03436	5.4
57.07079	22.2
59.04987	1.4
65.03942	5.2
67.05506	96.9
67.68132	1.2
68.44278	1.2
69.06715	2.3
69.07069	28.5
69.07449	1.5
71.05001	14.4
71.08637	12.3
71.39606	2.4
74.09743	1.1
77.03941	1.4
79.05493	60.1
81.07058	100.0
83.04984	4.1
83.08609	12.2
85.06539	16.4
85.10188	5.8
86.95340	1.3
91.05480	51.8
93.07046	73.1
95.04983	10.8
95.08607	66.3
95.09229	1.7
97.06529	11.3
97.10170	11.7
99.08097	20.5
105.07027	34.0
107.04978	1.3
107.08591	42.6
107.09286	2.4
109.06519	4.1
109.10152	21.2
111.08097	4.2
111.11691	1.8
112.91228	1.3
113.09697	2.2
115.07593	1.2
117.07035	12.8
119.05892	1.2
119.08583	29.3
119.09457	1.8
119.97421	1.4
121.06561	1.6
121.10142	67.5
123.08060	2.3
123.11701	7.2
125.09608	3.6
128.06236	2.0
129.07005	5.8
131.08586	19.2
133.10129	26.7
133.11078	2.2
134.17815	1.3
135.08040	2.0
135.11694	52.4
137.09650	3.9
137.13301	2.5
139.11206	4.5
141.82130	1.3
143.08537	6.2
145.10114	14.3
147.11690	17.6
149.09587	3.0
149.13252	20.0
151.11166	3.0
151.14760	1.6
157.10191	5.0
159.11687	15.3
161.09654	2.3
161.13258	12.2
163.11247	4.8
163.14877	3.8
165.12743	3.2
171.11696	9.1
173.11832	2.3
173.13313	8.2
175.14795	7.6
177.12794	5.8
179.14328	4.6
181.12274	3.4
185.13237	8.1
191.14331	2.0
193.15820	1.7
195.13855	6.4
199.14903	4.8
203.12820	4.5
209.15501	1.7
211.20520	3.4
213.16621	2.6
221.15402	3.0
229.14412	2.8
235.16945	2.3
241.19495	15.1
244.73911	1.5
259.20581	32.0
262.48853	1.3
277.21625	52.2
277.24716	2.5
285.24255	11.1
295.22687	7.9
333.24423	2.4
351.25308	35.9
369.26349	14.3
597.47589	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40988	0.4
53.03947	1.0
55.05516	10.4
57.03192	0.6
57.03444	7.6
57.07072	1.8
57.15816	0.4
65.03941	0.7
67.05511	25.0
69.03418	0.9
69.07073	16.2
70.07463	0.4
71.04990	1.0
71.08614	1.2
71.60190	0.5
79.05499	7.1
81.03420	3.5
81.07063	25.1
82.69119	0.4
83.04973	1.5
83.08218	0.5
83.08636	7.1
85.02869	0.5
85.06509	0.7
91.04958	0.7
91.05482	6.7
93.07050	8.5
95.04964	1.5
95.08615	19.4
97.06548	2.0
97.10181	3.1
98.97858	0.6
98.98478	11.2
99.08095	0.8
101.22321	0.4
105.06507	0.4
105.07049	5.2
107.08602	4.2
109.02876	3.5
109.06507	1.0
109.10162	8.8
111.08085	0.6
117.07005	0.7
119.01959	0.5
119.08579	4.1
121.10158	4.6
123.08112	1.0
123.11722	3.4
125.09626	0.9
125.51425	0.4
127.03909	0.8
131.01999	0.5
131.08595	1.1
133.03497	0.5
133.10146	3.1
135.11703	2.1
137.09598	0.5
137.13246	1.4
143.01904	0.5
145.10133	1.2
147.08090	0.6
147.11696	2.3
149.09735	0.5
149.13271	1.0
151.07639	0.4
151.14865	0.7
155.01012	2.4
155.08592	0.5
157.10115	0.6
159.11716	1.2
161.02979	1.1
161.09634	0.4
161.13269	1.2
163.05974	0.9
163.14874	1.2
165.16408	0.5
167.10672	0.5
167.73816	0.4
169.10100	0.6
173.02036	0.5
173.13333	0.5
175.14853	1.4
181.10115	0.5
189.12730	0.4
195.11659	0.6
203.14340	0.4
207.11827	0.4
207.13869	0.5
213.16377	0.5
218.21686	0.5
221.15356	0.6
233.15302	0.7
245.22705	0.9
261.03705	3.7
263.23779	1.9
301.20117	6.2
317.06378	0.7
319.21207	1.7
319.26355	0.5
335.07388	1.4
337.27393	100.0
338.27762	1.5
342.22845	1.0
361.22180	0.7
375.23553	0.7
422.63889	0.4
425.29758	0.7
481.26437	1.0
537.29260	3.1
597.39429	4.7
608.75439	0.5
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
53.03949	0.6
55.01865	0.7
55.05270	1.0
55.05512	11.5
57.03434	6.7
57.07057	2.0
67.05502	24.9
69.03426	0.8
69.07067	15.1
70.05407	2.0
71.04984	0.8
71.08624	0.7
74.39348	0.6
79.05493	5.7
81.03411	3.6
81.07056	24.3
83.04971	1.2
83.08613	6.7
85.02911	0.8
85.06489	1.0
85.10158	0.6
91.05468	4.2
91.05914	0.5
93.07032	7.0
94.52991	0.5
95.08604	19.9
97.06506	1.3
97.10170	3.8
98.98462	11.2
100.39147	0.5
105.07014	2.7
107.08590	4.2
109.02867	2.2
109.10156	8.1
119.08576	2.6
121.10162	3.2
123.11668	2.9
125.75993	0.5
127.03905	1.1
133.10118	2.5
135.11687	2.0
137.13145	0.7
147.11691	1.3
149.13283	1.3
155.01022	2.9
161.13284	2.2
163.14798	1.5
173.02135	1.0
245.22702	1.1
261.03690	2.5
263.23730	2.5
279.05267	0.6
317.06369	0.9
335.03833	0.5
335.07526	1.4
337.27350	100.0
338.27774	1.3
417.54440	0.6
454.62857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22164	0.7
53.03937	4.5
55.01861	0.9
55.05501	1.0
60.31607	0.8
67.05516	1.8
68.38091	0.7
69.03425	5.7
69.86616	4.0
69.87012	1.4
79.05480	2.5
81.03415	3.9
81.07065	3.7
81.40434	0.8
83.04987	1.8
85.02897	1.9
85.42708	0.7
87.00812	3.7
89.24471	0.8
91.05468	3.7
93.07041	5.3
95.04918	1.4
95.08593	3.1
97.02898	13.1
98.21466	1.5
105.01836	2.2
105.07031	7.4
107.08594	9.2
109.02880	10.2
109.06519	3.7
109.10149	2.7
111.04395	1.2
111.08069	2.8
119.08575	19.3
121.06453	1.2
121.10144	4.6
123.08061	6.8
123.11665	1.2
125.09625	100.0
126.09981	0.9
127.03912	7.0
128.06238	0.9
133.10127	16.7
135.11650	1.5
137.09596	2.4
143.08597	2.3
145.05031	1.0
145.10101	1.3
147.08022	9.9
151.11111	1.4
161.09625	10.8
163.11195	0.8
165.09113	12.7
179.10661	10.8
189.09093	9.6
190.79160	0.8
207.10178	12.9
213.03931	1.9
225.11208	31.9
231.04936	2.4
271.16953	1.0
289.17920	2.0
295.16876	1.1
311.03760	0.8
313.17917	2.3
331.19009	11.6
342.87265	0.9
349.20078	41.0
350.20718	1.2
367.21112	3.7
413.39371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13414	0.7
53.03936	1.5
55.01863	2.2
61.02900	0.9
63.54196	0.7
65.03943	5.8
67.05490	3.4
68.99789	1.0
69.03428	7.7
71.04995	1.3
71.59395	1.3
79.05494	7.7
81.03423	6.4
81.07069	1.6
82.04202	1.4
85.02905	9.6
91.05469	4.2
93.03379	1.2
93.07004	1.5
95.04953	4.5
97.02911	4.1
97.06516	3.2
103.05473	1.3
105.07025	2.4
107.04958	17.9
107.50871	0.8
110.03649	3.3
111.04439	2.3
115.05432	4.1
115.32563	0.7
115.68601	0.7
116.06210	1.3
117.06969	4.0
119.04940	1.6
119.08574	1.1
121.06507	1.9
123.04428	3.9
124.05220	4.9
125.06013	3.8
127.03915	8.9
128.06215	1.6
129.06982	3.2
129.10274	0.7
131.04953	2.7
131.08542	2.9
133.06485	3.2
134.63591	0.8
137.05997	1.6
138.03096	2.1
141.06979	2.6
142.02591	2.8
143.04895	1.1
144.05708	3.9
145.02823	2.1
145.06497	10.7
145.10033	1.1
147.04402	4.3
147.08032	2.1
149.05992	1.4
151.07524	0.9
152.04666	1.7
153.05434	1.5
155.04906	1.7
155.06004	1.4
155.07059	1.8
157.06502	4.4
159.08076	6.7
160.05235	1.1
161.05984	7.4
161.09630	0.7
163.03871	1.3
165.05490	0.8
167.07043	61.8
171.06558	6.4
172.05215	8.0
173.05988	6.8
175.07527	3.4
176.08319	0.9
177.05475	4.3
177.09120	1.8
179.07158	1.3
181.04958	100.0
182.05362	1.1
185.05968	1.8
187.07553	11.0
189.05444	3.4
190.06252	2.3
191.07004	2.2
191.08902	0.8
191.10680	3.4
193.04941	1.1
193.08621	2.9
195.06540	4.4
200.04628	3.9
201.05464	7.7
203.07138	1.4
205.08595	7.4
206.05753	2.8
207.06496	1.5
207.10135	1.5
209.08124	1.9
213.05479	1.3
217.08574	3.4
218.05640	5.1
218.07500	0.9
219.06528	2.3
219.10120	7.5
221.08089	7.1
223.07376	0.9
231.02855	1.6
231.06416	1.1
233.08089	75.0
235.07550	1.3
235.09700	3.8
245.08096	4.5
247.07509	1.2
251.06818	1.4
251.09024	5.9
263.09180	31.0
264.07739	1.2
275.07120	1.5
276.07639	0.9
277.08643	1.4
279.10089	1.9
281.10254	4.4
287.05548	2.1
288.05746	2.2
289.06009	3.0
291.06418	1.3
292.07349	1.0
293.08032	1.6
303.04980	3.3
305.07883	1.0
307.09634	2.3
309.07175	1.1
311.12897	1.1
312.94675	0.9
323.09119	2.5
325.10721	1.5
327.12262	0.8
339.12326	1.6
341.10309	1.1
346.10242	1.0
353.10126	1.3
355.11838	3.2
358.84174	0.8
367.11810	4.1
369.13565	1.3
371.14780	1.8
372.12146	2.1
373.12833	1.1
381.13248	2.0
384.11966	1.1
387.14438	11.8
399.14404	12.9
405.15192	2.3
417.15460	88.5
418.15610	1.1
435.16342	6.4
551.22943	1.5
578.13275	0.9
579.20447	4.0
597.20477	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	597.1817
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
52.62868	2.2
55.01867	6.9
57.03433	6.1
62.32052	2.3
65.03942	2.9
67.05505	3.7
69.03428	3.5
70.06588	8.5
70.43464	5.1
70.43842	3.4
71.04988	3.9
75.85385	2.3
78.30138	2.0
79.05492	6.0
81.03426	11.1
81.07064	6.0
83.04996	3.4
85.02916	30.2
91.05469	7.3
93.03421	12.5
95.01325	3.5
95.04986	6.7
97.02901	12.9
97.51671	2.2
103.03955	4.2
103.05474	4.2
105.03373	2.7
105.07005	5.3
107.04954	22.6
109.02893	15.8
110.07143	2.7
111.04425	5.6
117.07043	2.3
119.04930	12.9
121.02872	25.3
121.06499	10.0
123.04426	10.0
127.03929	5.3
128.04352	3.4
129.05585	3.8
131.04950	6.9
133.02831	5.5
133.06485	4.5
135.04414	18.6
137.05980	4.1
139.03969	5.6
145.02852	3.4
145.06494	5.6
147.04411	37.2
149.02374	4.5
149.05923	4.1
151.03885	4.3
153.01814	5.8
159.04399	9.3
161.02357	3.5
161.05974	9.9
163.03917	22.1
165.01855	9.9
167.07027	6.2
171.04453	2.8
172.03864	3.2
173.02333	4.6
173.06015	8.4
175.00322	4.9
175.03947	5.8
175.07666	3.2
177.01872	12.2
177.05457	13.0
181.04976	8.9
183.02853	7.3
187.03899	7.9
189.01805	23.3
189.05505	4.5
191.03391	19.2
195.02911	45.8
199.03966	3.9
201.01840	7.1
201.05373	14.5
203.03462	13.8
205.01321	5.9
205.04991	4.6
207.02876	33.3
209.04446	4.4
215.03395	16.1
215.07060	3.8
217.05016	4.7
219.02907	87.0
221.00906	3.8
221.04533	7.3
223.02321	17.8
225.03893	29.8
225.05655	2.9
227.03435	7.8
228.02942	17.1
229.05092	15.6
231.02873	44.2
233.04442	25.4
233.08101	6.2
237.03975	24.8
241.05008	4.9
243.02866	27.0
243.06581	5.9
244.02576	3.1
245.04483	11.0
247.06068	6.8
249.03960	27.3
253.04857	3.6
255.02931	7.7
257.04465	16.4
259.06219	5.1
261.03952	100.0
261.06732	5.1
262.04230	3.8
263.09109	5.1
269.04410	8.6
271.02853	2.6
271.06079	8.9
273.03876	37.0
275.05582	3.2
281.04340	2.9
285.03976	47.2
285.07114	5.2
287.05447	2.8
291.04956	30.3
297.03946	22.3
297.07513	14.6
299.05649	7.6
303.04971	34.7
309.07388	9.2
313.06805	3.1
315.04941	13.4
321.06018	22.0
325.07053	3.0
327.04950	44.5
327.08618	30.3
328.05420	3.4
339.08209	38.8
345.06055	13.1
351.08621	17.8
357.06033	8.4
357.09778	5.0
363.07169	32.2
369.05988	4.9
375.07339	6.9
381.09756	38.7
387.07211	10.6
393.09528	31.8
405.08459	40.2
409.08911	4.9
411.10623	13.1
417.10095	6.7
417.15552	5.4
423.10172	27.4
427.10583	3.5
429.11862	34.5
441.11142	43.1
447.10715	27.4
459.12784	36.4
465.11935	12.2
477.11874	9.3
483.12851	17.8
489.11993	3.2
495.12820	20.0
507.12689	8.8
525.13953	13.6
543.14929	19.7
596.79816	4.7
597.13513	2.9
597.29095	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	597.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32266	0.4
65.03941	2.4
67.05489	1.7
69.03407	0.9
69.07068	0.7
70.06621	0.7
70.18224	1.0
70.18629	0.9
71.04997	0.5
79.05479	0.8
81.03416	0.7
81.07058	4.7
82.07394	0.5
85.02907	2.7
86.09718	0.5
89.03909	1.2
91.05476	0.7
91.88230	0.4
93.03409	2.5
93.07075	0.7
93.39743	0.4
95.04986	0.5
95.08594	1.8
97.02892	53.5
97.29124	0.4
98.03228	5.3
98.97567	0.4
99.04456	0.5
105.07037	0.7
109.02879	1.1
109.10153	0.7
111.04424	0.6
117.03373	5.5
119.08592	0.6
121.02863	2.8
122.03196	0.7
125.02391	0.8
125.05952	0.7
127.03915	100.0
128.04234	1.0
128.06195	0.4
129.07028	2.2
133.10094	0.5
135.04436	0.7
136.77119	0.5
137.05951	0.9
137.13255	2.8
141.06995	0.4
145.02847	17.4
147.04404	1.0
149.02336	2.8
149.05972	1.8
151.03905	1.4
157.06468	2.9
163.03961	2.1
163.07417	0.4
167.03415	17.2
167.04866	1.0
167.07057	1.6
169.06473	0.6
177.05473	34.5
178.05840	0.4
181.04846	0.6
185.05922	0.6
186.05455	0.5
187.07564	0.6
188.08257	0.6
189.05499	0.7
189.09123	2.2
195.06529	0.6
199.07504	2.3
207.06543	0.9
209.08095	0.7
213.05438	0.5
217.04938	1.1
217.08578	2.8
218.05290	1.2
227.07059	2.4
233.08040	0.6
235.05980	1.1
236.06339	0.6
245.08121	4.9
254.07410	0.9
273.07565	1.0
289.09198	3.4
291.08649	14.2
303.04855	0.9
309.09573	2.1
339.10760	1.7
596.44684	0.5
597.22198	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32266	0.4
65.03941	2.4
67.05489	1.7
69.03407	0.9
69.07068	0.7
70.06621	0.7
70.18224	1.0
70.18629	0.9
71.04997	0.5
79.05479	0.8
81.03416	0.7
81.07058	4.7
82.07394	0.5
85.02907	2.7
86.09718	0.5
89.03909	1.2
91.05476	0.7
91.88230	0.4
93.03409	2.5
93.07075	0.7
93.39743	0.4
95.04986	0.5
95.08594	1.8
97.02892	53.5
97.29124	0.4
98.03228	5.3
98.97567	0.4
99.04456	0.5
105.07037	0.7
109.02879	1.1
109.10153	0.7
111.04424	0.6
117.03373	5.5
119.08592	0.6
121.02863	2.8
122.03196	0.7
125.02391	0.8
125.05952	0.7
127.03915	100.0
128.04234	1.0
128.06195	0.4
129.07028	2.2
133.10094	0.5
135.04436	0.7
136.77119	0.5
137.05951	0.9
137.13255	2.8
141.06995	0.4
145.02847	17.4
147.04404	1.0
149.02336	2.8
149.05972	1.8
151.03905	1.4
157.06468	2.9
163.03961	2.1
163.07417	0.4
167.03415	17.2
167.04866	1.0
167.07057	1.6
169.06473	0.6
177.05473	34.5
178.05840	0.4
181.04846	0.6
185.05922	0.6
186.05455	0.5
187.07564	0.6
188.08257	0.6
189.05499	0.7
189.09123	2.2
195.06529	0.6
199.07504	2.3
207.06543	0.9
209.08095	0.7
213.05438	0.5
217.04938	1.1
217.08578	2.8
218.05290	1.2
227.07059	2.4
233.08040	0.6
235.05980	1.1
236.06339	0.6
245.08121	4.9
254.07410	0.9
273.07565	1.0
289.09198	3.4
291.08649	14.2
303.04855	0.9
309.09573	2.1
339.10760	1.7
596.44684	0.5
597.22198	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1452
Annotation	Peltatoside
Peak:m/z	Relative Intensity
53.03937	0.2
55.01863	0.2
57.03437	2.5
59.04999	0.4
61.02919	0.5
68.99792	0.5
69.03432	8.1
69.03812	0.4
70.06561	0.2
70.76016	0.6
71.04961	0.2
73.02900	0.2
75.04471	0.5
81.03411	0.6
81.07069	0.2
85.02908	7.3
87.04471	4.8
91.03957	0.2
93.03371	0.2
95.82521	0.2
97.02892	5.9
99.04456	0.5
107.04939	0.2
109.02857	0.5
111.00853	0.8
115.03929	6.0
121.02890	0.8
123.04466	0.3
127.03929	1.0
131.04936	0.2
133.04970	5.2
137.02345	2.1
144.76755	0.2
145.04951	0.8
147.04395	0.3
149.02341	0.3
153.01831	2.7
160.67703	0.2
161.06006	0.2
163.03952	0.5
165.01845	1.9
167.07057	0.4
169.21217	0.2
173.05989	0.2
177.05495	0.3
179.31410	0.2
181.04945	0.3
183.02843	0.7
183.04333	0.3
187.03844	0.4
191.03574	0.2
195.02985	0.2
201.05496	1.3
205.04912	0.2
213.05664	0.2
219.06645	0.3
228.04234	0.3
229.04979	3.5
233.08038	0.3
243.59897	0.2
247.06041	0.6
257.04443	2.4
274.04718	0.7
285.03937	1.3
303.04996	100.0
304.05344	0.6
315.04950	0.4
345.05963	0.5
435.09457	0.3
465.10480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.76035	0.2
57.03192	0.4
57.03439	4.4
59.04993	0.2
61.02929	1.6
68.99783	0.3
69.03430	4.0
69.36808	0.3
69.37131	2.2
70.06588	0.6
71.01331	0.3
73.02921	9.1
81.03403	0.8
81.07043	0.4
82.82322	0.2
85.02905	6.7
85.16788	0.2
86.09686	0.3
87.04452	0.4
93.03416	0.4
93.52032	0.2
95.04961	0.3
97.02892	5.2
99.04478	0.3
105.07005	0.3
107.04964	0.3
107.08589	0.3
108.94791	0.2
109.02860	0.4
109.10126	0.2
111.00783	0.7
115.03937	3.5
120.08093	0.4
121.02866	0.7
123.04446	0.3
127.03912	2.5
133.04948	0.8
137.02348	2.4
145.04950	1.7
149.02271	0.3
153.01830	2.9
161.06013	0.5
163.03912	1.4
165.01843	1.9
167.07011	0.5
173.05939	0.5
177.05464	0.3
181.04973	0.4
183.02876	0.7
183.04332	0.3
187.03900	0.3
191.06987	0.4
201.05382	1.2
208.11775	0.3
209.08116	0.9
219.06598	0.3
229.04976	3.2
231.46344	0.2
233.07991	0.2
247.05898	0.6
257.04443	2.5
274.04776	0.6
285.03983	1.0
303.04993	100.0
304.05298	1.0
349.20132	0.3
415.56186	0.2
417.15369	0.4
465.10019	0.4
547.15302	0.3
576.51459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11770	1.8
53.03961	2.3
55.05511	10.7
57.03435	5.2
57.07079	4.1
60.37911	1.9
67.05506	64.3
69.07072	12.4
70.02884	5.9
71.04982	2.3
71.91568	1.6
73.02912	3.4
77.48663	1.6
79.05489	33.0
81.03409	2.8
81.07056	70.3
81.60746	2.2
82.73707	1.7
83.04980	2.0
83.08621	7.0
85.02899	2.4
85.06536	3.2
91.05466	17.2
93.07047	47.7
93.33338	1.7
95.04952	4.1
95.08605	54.2
97.06532	3.7
97.10164	3.0
99.04443	2.2
105.07024	14.9
107.08595	35.3
109.02879	5.6
109.09461	2.4
109.10165	30.5
111.08134	2.2
115.28873	2.0
117.07027	10.2
119.08576	14.4
121.10136	30.9
123.11698	17.0
125.09666	2.0
127.03955	4.0
129.07065	2.5
131.08580	18.7
133.10115	14.2
135.11678	24.5
137.13283	6.8
139.11330	2.1
145.10127	14.0
147.11697	9.7
149.13252	16.9
151.11082	2.1
151.14806	2.3
159.11734	12.5
159.12811	1.9
161.13237	10.7
163.14828	15.9
171.11751	1.9
173.13280	14.7
175.14825	2.6
177.12663	2.2
177.16385	9.6
179.14221	3.6
187.14786	7.3
191.00177	3.1
191.14282	1.9
201.16379	4.9
205.15895	3.2
233.22752	3.8
243.21097	34.2
261.22153	100.0
263.23755	2.7
279.23288	3.3
315.43884	1.8
328.83951	1.8
335.25815	28.2
337.27396	3.7
353.26898	47.8
363.24524	1.9
403.62897	1.9
546.44934	2.0
561.27209	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	596.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93955	1.7
53.03935	3.6
53.99824	2.0
55.05511	15.7
55.70043	1.7
57.03428	6.5
57.07067	6.2
58.31764	1.9
65.03933	2.4
65.43591	2.1
66.09953	1.7
67.05508	59.2
69.03427	1.9
69.07074	13.6
71.05004	3.0
71.08677	2.1
71.61780	4.0
73.02917	3.2
74.46276	1.8
75.04449	1.9
79.05495	42.0
81.03442	2.2
81.07060	84.1
83.04974	2.4
83.08610	9.2
85.02898	4.1
85.06561	3.2
91.05483	24.2
93.07048	59.5
95.04980	5.1
95.08604	61.5
97.06553	3.9
97.10159	5.7
99.08085	3.7
101.48373	1.9
105.07034	17.0
107.08606	37.1
109.02893	4.0
109.10162	34.7
110.03676	3.8
111.04450	1.9
111.08051	2.5
112.60872	1.8
117.07024	9.5
119.08596	14.9
121.10139	34.1
123.08060	2.5
123.11723	16.5
124.95611	1.6
125.09625	3.9
127.03922	4.3
129.07007	2.2
131.08588	16.0
133.10136	13.3
135.11690	24.4
137.13235	6.8
140.50607	1.9
145.10109	17.2
147.11682	11.4
149.13278	19.4
151.14803	3.2
154.10843	2.2
159.11703	13.0
159.33447	1.8
161.13245	11.2
163.14824	12.2
165.12773	3.3
173.13243	14.1
175.14842	5.8
177.12750	2.1
177.16385	8.5
179.14359	2.6
187.14828	7.8
191.00035	3.5
191.14433	2.1
199.14738	2.0
201.16412	4.0
205.15865	2.7
233.22781	2.9
243.21094	30.4
261.22159	100.0
271.10959	1.8
279.23245	7.2
335.25751	27.1
353.26910	48.2
369.23749	2.3
384.59286	2.1
415.36102	5.0
416.36362	3.7
506.05380	2.0
561.27411	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	596.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
54.91838	1.0
55.01869	1.8
55.05512	7.0
57.03429	4.1
58.99597	10.7
60.04516	1.4
65.03937	1.4
67.05167	1.6
67.05507	14.6
69.03445	1.2
69.07073	9.3
71.05004	5.5
71.59415	2.0
74.00668	1.3
74.06084	1.3
76.02236	14.9
76.04000	2.6
79.05502	8.5
80.05054	1.2
81.07062	46.8
82.07392	4.5
83.06084	2.5
83.08620	7.1
84.04504	8.3
85.02902	3.3
85.06547	5.8
85.51675	1.0
86.99042	6.5
87.02708	2.5
88.02227	3.0
91.05480	8.7
93.03407	1.3
93.07039	10.9
95.08612	42.4
96.08939	2.9
97.02898	100.0
97.06525	9.7
97.10155	1.2
98.03252	2.0
98.98470	2.2
99.02682	1.6
99.05571	3.0
99.08092	3.4
105.00174	1.2
105.07048	10.6
107.08600	5.7
109.02921	1.4
109.06558	1.3
109.10160	4.0
111.02700	2.3
111.08095	3.0
113.04232	1.4
116.01689	33.5
117.07011	1.6
119.08581	13.8
120.96647	1.3
121.02879	8.3
121.10164	5.7
123.08036	1.7
127.03912	13.5
127.73135	1.0
129.06645	4.9
130.04976	3.0
131.08595	1.7
133.10138	12.8
135.11729	5.8
137.13254	15.7
138.13643	5.9
142.03227	10.5
144.01135	13.5
145.02834	2.6
145.06096	2.7
147.04430	2.0
147.33835	1.1
149.13298	1.8
151.03897	1.9
159.11688	1.4
161.13257	25.8
162.02209	35.5
163.03932	2.2
167.03349	1.4
167.07053	1.3
170.02744	2.2
170.81174	1.1
177.03250	1.2
177.05455	5.4
179.04869	1.9
179.14326	18.1
186.07643	1.7
187.05382	2.2
197.15395	5.9
199.07214	1.2
204.08717	1.3
215.16589	1.5
217.04947	11.6
218.04874	5.0
219.10262	1.7
235.05968	8.8
237.13161	1.5
241.17944	1.4
245.05925	2.4
253.07092	3.9
253.18127	3.2
255.14204	4.5
271.19064	25.3
272.16760	5.5
287.05475	5.2
288.05859	3.8
291.08658	1.7
300.12955	1.1
300.16238	4.6
329.17789	7.5
330.26297	1.4
340.15775	1.6
346.20361	1.7
347.18872	7.5
358.16745	2.3
382.22522	2.0
401.20834	2.4
414.19324	1.7
431.22073	1.6
432.20551	10.1
449.23206	22.4
450.21710	4.4
467.24265	37.1
467.31012	1.9
503.24042	6.8
521.25269	13.8
578.27496	15.0
596.19141	6.5
596.28406	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	596.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53811	1.8
55.01866	3.4
55.05514	10.5
57.03437	4.2
57.07071	2.2
58.99591	20.2
67.05511	19.9
69.03431	5.0
69.07076	13.6
70.02947	2.7
70.06585	6.0
70.37978	4.1
70.38365	4.4
71.04993	13.0
71.66470	2.0
74.06086	3.2
76.02239	24.2
76.04009	4.2
79.05503	15.7
80.05019	2.6
81.03408	4.1
81.07062	60.9
83.04974	4.2
83.06127	3.7
83.08614	9.0
84.04514	11.1
85.02912	8.1
85.06577	10.7
86.99070	11.3
87.02679	3.3
88.02222	6.2
91.05490	17.8
93.07061	15.9
94.06578	2.2
95.04971	5.1
95.08612	53.8
97.02909	7.4
97.06538	14.9
99.05595	2.8
99.08098	5.2
105.07027	16.4
107.04981	3.0
107.08596	12.9
108.95219	1.9
109.02831	2.7
109.06581	3.0
109.10172	8.1
111.02679	3.2
111.08090	3.2
113.04221	3.8
114.03777	4.2
116.01682	58.9
117.03393	2.4
119.04993	3.4
119.08586	25.4
121.10144	8.9
123.04456	4.3
123.08096	4.1
127.03951	12.5
129.06625	8.1
129.74278	2.0
130.05014	5.7
133.10143	17.3
135.11702	9.0
136.07513	2.2
137.05994	4.1
137.09645	2.9
137.13237	10.4
142.03207	13.3
144.01160	29.0
145.02811	2.4
145.04961	2.3
145.06122	3.5
147.04416	14.4
149.13322	3.4
159.11652	2.7
160.15976	2.0
161.05978	3.8
161.13275	48.5
162.02211	66.1
165.05528	2.2
167.07036	8.6
170.02739	3.5
177.05486	8.8
179.04820	4.2
179.14301	36.8
181.04958	12.4
182.05292	3.4
197.15381	9.7
205.08896	3.1
218.04840	7.1
231.02930	5.2
237.13039	2.6
245.05939	3.0
253.17935	2.5
255.14137	7.9
271.19092	41.8
272.16757	6.5
279.00775	2.2
283.05957	2.4
287.05542	3.9
288.05872	3.8
300.16229	4.3
329.17731	10.9
347.18915	14.4
358.16901	2.6
364.21631	5.4
401.21097	4.4
416.14395	4.6
417.15036	10.0
431.22147	2.7
432.20557	15.2
449.23260	9.9
450.21625	11.2
467.24283	100.0
468.24597	2.8
521.25415	30.1
538.19031	2.3
578.27179	6.3
579.25287	2.9
596.20294	3.0
596.28455	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.00679	0.4
57.03432	0.7
61.02920	0.5
67.05508	0.8
69.03423	1.5
69.07059	0.5
71.59503	0.6
71.59866	0.5
72.64170	0.4
79.05474	1.5
81.03414	0.8
81.07046	1.9
85.02906	5.3
91.05488	1.6
95.04950	1.0
95.08613	0.8
97.02909	2.2
97.06542	2.5
99.83733	0.4
105.07029	1.0
107.04959	1.3
107.08636	0.7
109.02860	0.4
109.06534	0.5
115.05442	1.3
117.07004	0.9
117.79551	0.5
118.39822	0.4
119.08614	0.7
120.08063	0.9
121.02827	0.4
121.06425	0.6
121.10105	0.5
125.09641	1.3
127.03938	1.0
130.04149	0.8
131.04907	1.5
132.05800	0.8
133.06491	1.0
135.08072	0.8
136.05203	0.7
137.05943	2.3
141.06937	0.6
143.08612	0.4
145.02759	0.5
145.04909	0.5
145.06514	1.2
146.07237	1.0
147.04425	1.2
147.08046	1.1
151.07536	6.3
157.99118	0.5
160.05197	11.7
161.05980	0.9
161.09625	0.8
163.03905	2.0
163.07570	1.7
165.09116	1.4
167.07083	1.1
169.06512	1.2
173.45447	0.4
175.07555	52.2
176.08073	1.0
177.09116	5.2
181.04988	0.8
189.09058	0.6
190.00024	0.5
191.07082	0.5
195.08102	0.5
201.09131	0.8
215.07037	0.6
219.10152	1.7
221.09599	0.9
223.07578	0.6
235.07600	0.9
237.09178	1.0
248.11841	0.8
249.09114	1.5
250.09863	0.7
251.10616	0.9
252.11713	0.4
253.12236	0.8
259.09708	0.6
261.09189	0.9
263.10709	0.9
264.11554	0.5
265.08594	1.6
265.12201	0.6
267.10211	1.7
275.10596	0.5
276.11536	0.5
277.08585	0.5
278.09439	0.5
279.10168	1.9
279.13507	0.9
280.10919	1.2
281.11725	1.9
282.12552	1.3
283.09662	2.0
283.12787	0.5
287.05734	0.4
291.10196	0.5
293.11719	1.8
295.13171	0.9
297.11194	0.6
298.11954	1.4
307.10068	0.6
307.13327	1.6
308.13928	0.9
309.11215	1.0
310.11917	0.8
311.12778	6.1
313.14410	2.5
324.13641	1.1
325.14407	1.1
326.15103	8.2
327.12170	1.5
336.71530	0.5
337.14319	0.6
339.15912	2.5
342.14658	4.9
355.15381	1.1
356.36450	0.4
357.16965	100.0
358.17212	1.8
373.15411	0.8
524.28101	0.5
596.22137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25336	0.5
53.03946	2.5
55.01874	3.3
55.05507	1.1
57.03441	4.2
57.07082	0.5
61.02935	3.4
65.03955	0.7
67.05498	1.9
68.99799	2.6
69.03431	14.6
69.07068	2.1
70.32634	2.1
71.01360	2.1
71.04993	1.9
73.02918	3.8
79.05493	2.7
81.03417	13.1
81.07063	15.5
83.01335	0.6
83.04984	1.7
83.08614	1.1
83.76690	0.4
85.02908	100.0
87.00831	16.4
87.04490	0.5
91.03927	0.7
91.05489	4.3
93.07047	3.3
93.37267	0.4
95.01337	4.2
95.04983	1.5
95.08612	5.6
97.02898	18.3
97.06532	1.0
98.20856	0.6
99.00812	1.5
99.04459	5.4
99.08128	0.6
100.65386	0.4
101.02401	0.7
103.03970	3.5
103.05568	0.6
105.01870	27.7
105.07046	3.2
107.04967	1.3
107.08607	4.7
109.02122	0.9
109.02881	18.9
109.06534	2.0
109.10159	1.4
111.00690	0.4
111.04444	1.4
111.08079	0.8
111.11670	0.4
113.02369	2.7
115.03947	1.2
117.01852	0.9
117.03368	1.0
117.06989	0.7
119.04942	5.2
119.07821	0.5
119.08540	2.6
120.05309	1.4
121.02891	0.7
121.06544	0.6
121.10153	1.8
123.00845	0.9
123.04443	1.9
123.08083	0.7
123.11728	0.5
125.02384	1.3
127.03925	36.8
129.01843	3.7
129.05533	0.8
131.03380	1.0
131.08588	1.4
133.06497	1.6
133.10133	2.0
135.04428	0.5
135.08090	0.5
135.11726	1.8
137.02333	0.6
137.05974	0.9
137.13271	6.1
139.03888	0.7
141.01842	15.6
143.08617	0.8
145.02924	2.3
145.04970	12.9
145.10126	1.1
147.02948	4.6
147.04431	18.9
147.08060	1.3
147.11664	1.0
148.04736	8.7
149.06010	1.0
149.13293	0.8
151.03928	1.6
151.11201	0.6
153.12741	2.4
155.14348	1.7
157.10126	1.0
159.02902	8.7
159.08167	0.6
159.11751	0.7
161.05907	0.5
161.09669	1.0
161.13260	1.4
163.03946	1.0
165.09174	1.2
165.12810	0.6
167.03525	0.8
167.07048	1.2
169.04991	2.6
171.02901	1.1
175.03908	0.8
177.04028	0.7
177.05476	8.4
177.09099	0.9
179.10786	0.5
179.14343	1.3
181.04993	1.8
183.02904	0.7
187.05968	0.8
187.94168	0.5
189.03954	6.0
189.05444	0.5
193.08559	0.6
197.15480	0.6
199.06029	0.5
199.14783	0.5
201.03967	0.6
201.12746	0.6
203.03360	0.5
203.14383	0.7
207.02919	0.8
207.10252	1.6
213.03902	4.4
215.14464	0.7
219.05072	1.3
221.04477	0.5
221.15334	1.5
223.06067	1.1
225.04028	1.2
225.11195	2.4
227.14363	1.3
229.95175	0.5
231.02710	1.0
231.05009	14.6
233.06625	1.2
233.15471	0.6
243.05156	1.7
245.15358	3.3
249.03807	1.0
249.06078	6.0
261.06134	3.2
263.16422	3.1
267.05096	2.0
273.06003	4.3
285.06100	3.3
287.05527	6.0
288.05856	6.2
291.37943	0.5
303.07156	1.3
349.16690	1.9
367.17624	1.6
371.06134	1.8
385.18335	0.6
389.07245	2.9
407.08264	2.4
420.22702	0.7
472.15747	0.5
596.22034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01872	2.2
55.05512	1.6
55.35750	1.2
57.03421	4.0
61.02907	3.9
67.05491	4.0
68.99783	1.6
69.03429	15.4
69.07071	2.5
71.01350	2.4
71.04980	2.9
71.59406	1.8
71.59756	1.7
73.02912	4.4
76.11825	1.3
79.05486	6.0
81.03429	11.3
81.07059	100.0
83.04996	1.6
85.02906	99.1
87.00830	14.9
91.05481	2.8
93.07018	1.9
95.01333	3.5
95.04986	2.6
95.08599	13.1
97.02901	22.5
97.06560	2.0
98.77704	1.3
99.00841	1.8
99.04451	5.9
103.03933	3.8
105.01871	43.4
105.07039	2.8
107.04926	2.1
107.08604	1.4
109.02879	18.3
109.10188	1.7
111.04420	3.2
113.02411	1.7
121.02871	1.6
127.03918	43.9
129.01855	2.9
133.06458	1.3
137.13258	73.6
141.01833	24.4
145.02946	1.5
145.04959	16.1
147.02846	3.1
147.04420	3.7
151.03888	2.5
151.07544	1.5
153.05443	1.6
159.02890	10.4
161.06055	1.9
163.03934	3.7
165.05542	1.4
167.07043	4.0
169.04996	2.6
177.03961	1.9
177.05489	4.1
179.03506	1.5
181.04941	3.7
189.03975	9.0
189.09026	2.0
213.03986	6.1
231.02721	2.3
231.05003	27.6
243.05138	2.2
249.06090	22.0
261.06027	6.1
263.04022	1.3
267.04956	3.4
273.06027	9.4
285.06049	4.2
286.04703	1.5
287.05258	2.5
301.07132	3.6
302.07397	4.0
303.07111	4.6
307.09500	1.5
371.06061	2.8
389.07129	9.5
407.08261	10.2
425.09216	3.8
596.22644	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75386	0.3
53.03943	1.6
55.01871	0.8
55.05511	0.7
57.03433	1.0
57.07067	1.0
61.02928	0.7
61.05764	0.4
64.33265	0.3
65.03947	0.6
67.05511	3.7
68.99791	0.3
69.03433	6.2
69.07069	2.2
70.06592	0.9
71.01344	0.6
71.04999	0.9
71.59110	0.4
73.02924	0.8
74.84895	0.3
79.05492	7.1
81.03418	4.7
81.07059	100.0
82.07387	1.0
83.01367	0.5
83.04974	0.7
85.02909	22.9
85.06515	0.4
86.09734	0.4
87.00834	5.6
91.05473	1.2
93.07037	1.8
95.01344	1.5
95.04964	0.8
95.08612	11.6
97.02901	9.1
97.06532	0.8
99.04453	3.1
103.03937	0.8
103.05436	0.4
105.01868	6.7
105.07055	1.0
107.08610	1.6
109.02869	4.1
109.06528	0.6
109.10160	0.9
113.02421	0.6
115.03920	0.6
117.06994	0.4
119.08609	1.0
121.10155	1.3
123.11665	0.6
125.09644	1.3
127.03919	14.1
129.01860	0.8
131.08629	0.4
133.10158	1.1
135.04456	0.6
135.11714	1.0
137.05963	0.5
137.13263	23.6
141.01820	3.6
145.02977	0.4
145.04967	8.5
147.02901	0.6
147.04428	1.1
147.08032	0.5
149.13257	0.5
152.05690	0.7
159.02939	1.5
159.11853	0.4
161.05901	0.4
161.13257	0.4
163.03966	2.1
164.04269	0.5
165.73503	0.4
167.07095	1.1
171.11740	0.5
181.05017	0.6
189.04021	1.7
193.08574	0.5
213.03944	1.6
215.07076	0.4
231.05006	8.4
249.06073	6.8
259.20856	0.5
261.06100	0.8
267.05228	0.5
273.06219	0.6
277.21667	1.7
285.06168	0.9
295.22736	2.7
313.23755	1.0
331.25003	1.2
596.22577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44119	1.0
55.01873	1.4
55.05522	1.4
55.57911	0.9
57.03431	1.0
65.03932	4.2
67.05493	3.1
69.03434	5.9
69.07069	1.4
70.06590	1.8
70.23305	4.5
71.04970	0.9
74.66281	0.9
79.05502	2.2
81.03416	3.4
81.07055	4.5
83.08575	1.1
85.02915	13.6
86.09695	1.1
87.00800	1.0
89.03915	3.0
91.05481	2.4
93.03413	6.9
93.07050	2.0
95.08588	1.6
97.02898	100.0
99.04427	1.3
105.01846	4.3
105.07051	2.2
107.04931	1.0
107.08633	1.9
109.02885	3.2
110.03667	1.3
111.04446	1.3
115.05477	0.9
117.03383	9.7
117.07016	1.3
119.04914	1.6
119.08577	1.3
121.02864	2.2
121.10141	1.3
123.04449	0.9
125.05984	2.2
125.09582	1.7
127.03944	6.7
129.07014	3.8
133.06519	1.2
135.04440	1.9
137.06010	2.1
139.05357	1.3
141.01802	2.2
145.02853	35.3
145.04930	2.1
147.04439	3.5
149.02332	9.1
149.06035	4.7
151.03903	2.6
152.05667	2.2
153.05560	0.9
157.06451	6.9
159.02802	1.1
163.03876	6.1
164.04318	1.1
167.03419	56.2
167.04738	1.9
167.07074	3.3
169.06497	2.5
177.05482	87.1
178.05840	2.3
181.04988	3.6
182.05392	1.4
184.07370	0.9
185.05960	1.4
186.05556	1.2
187.07556	1.9
187.85115	0.8
188.08392	1.1
189.05536	1.0
189.09099	9.6
199.07521	5.6
207.06619	1.6
214.02573	0.9
215.07004	1.5
217.08585	6.1
219.03049	0.9
222.06512	0.9
227.07109	6.7
231.05031	2.4
245.08101	12.8
249.06073	2.2
259.10104	1.0
273.07657	2.9
291.08646	45.2
292.08960	1.0
295.22559	1.0
302.30484	0.9
309.09653	10.7
416.14108	1.0
417.14917	1.8
459.79559	1.0
505.80533	0.9
516.82190	1.0
605.03375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44119	1.0
55.01873	1.4
55.05522	1.4
55.57911	0.9
57.03431	1.0
65.03932	4.2
67.05493	3.1
69.03434	5.9
69.07069	1.4
70.06590	1.8
70.23305	4.5
71.04970	0.9
74.66281	0.9
79.05502	2.2
81.03416	3.4
81.07055	4.5
83.08575	1.1
85.02915	13.6
86.09695	1.1
87.00800	1.0
89.03915	3.0
91.05481	2.4
93.03413	6.9
93.07050	2.0
95.08588	1.6
97.02898	100.0
99.04427	1.3
105.01846	4.3
105.07051	2.2
107.04931	1.0
107.08633	1.9
109.02885	3.2
110.03667	1.3
111.04446	1.3
115.05477	0.9
117.03383	9.7
117.07016	1.3
119.04914	1.6
119.08577	1.3
121.02864	2.2
121.10141	1.3
123.04449	0.9
125.05984	2.2
125.09582	1.7
127.03944	6.7
129.07014	3.8
133.06519	1.2
135.04440	1.9
137.06010	2.1
139.05357	1.3
141.01802	2.2
145.02853	35.3
145.04930	2.1
147.04439	3.5
149.02332	9.1
149.06035	4.7
151.03903	2.6
152.05667	2.2
153.05560	0.9
157.06451	6.9
159.02802	1.1
163.03876	6.1
164.04318	1.1
167.03419	56.2
167.04738	1.9
167.07074	3.3
169.06497	2.5
177.05482	87.1
178.05840	2.3
181.04988	3.6
182.05392	1.4
184.07370	0.9
185.05960	1.4
186.05556	1.2
187.07556	1.9
187.85115	0.8
188.08392	1.1
189.05536	1.0
189.09099	9.6
199.07521	5.6
207.06619	1.6
214.02573	0.9
215.07004	1.5
217.08585	6.1
219.03049	0.9
222.06512	0.9
227.07109	6.7
231.05031	2.4
245.08101	12.8
249.06073	2.2
259.10104	1.0
273.07657	2.9
291.08646	45.2
292.08960	1.0
295.22559	1.0
302.30484	0.9
309.09653	10.7
416.14108	1.0
417.14917	1.8
459.79559	1.0
505.80533	0.9
516.82190	1.0
605.03375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77870	1.3
55.05512	1.8
57.04483	1.1
57.23866	1.2
69.03434	1.6
71.60284	1.9
71.60635	1.4
73.73524	1.1
81.03435	1.6
83.08606	2.3
83.50948	1.2
85.02913	4.8
97.02882	2.7
107.81535	1.4
109.02888	2.7
127.03919	100.0
145.04968	1.5
147.04352	2.0
167.06993	2.7
177.05586	2.2
181.04977	3.5
182.05260	1.4
205.08945	1.9
222.11617	1.4
288.12234	1.3
375.09314	6.4
404.14227	3.0
466.89255	1.3
588.28271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44119	1.0
55.01873	1.4
55.05522	1.4
55.57911	0.9
57.03431	1.0
65.03932	4.2
67.05493	3.1
69.03434	5.9
69.07069	1.4
70.06590	1.8
70.23305	4.5
71.04970	0.9
74.66281	0.9
79.05502	2.2
81.03416	3.4
81.07055	4.5
83.08575	1.1
85.02915	13.6
86.09695	1.1
87.00800	1.0
89.03915	3.0
91.05481	2.4
93.03413	6.9
93.07050	2.0
95.08588	1.6
97.02898	100.0
99.04427	1.3
105.01846	4.3
105.07051	2.2
107.04931	1.0
107.08633	1.9
109.02885	3.2
110.03667	1.3
111.04446	1.3
115.05477	0.9
117.03383	9.7
117.07016	1.3
119.04914	1.6
119.08577	1.3
121.02864	2.2
121.10141	1.3
123.04449	0.9
125.05984	2.2
125.09582	1.7
127.03944	6.7
129.07014	3.8
133.06519	1.2
135.04440	1.9
137.06010	2.1
139.05357	1.3
141.01802	2.2
145.02853	35.3
145.04930	2.1
147.04439	3.5
149.02332	9.1
149.06035	4.7
151.03903	2.6
152.05667	2.2
153.05560	0.9
157.06451	6.9
159.02802	1.1
163.03876	6.1
164.04318	1.1
167.03419	56.2
167.04738	1.9
167.07074	3.3
169.06497	2.5
177.05482	87.1
178.05840	2.3
181.04988	3.6
182.05392	1.4
184.07370	0.9
185.05960	1.4
186.05556	1.2
187.07556	1.9
187.85115	0.8
188.08392	1.1
189.05536	1.0
189.09099	9.6
199.07521	5.6
207.06619	1.6
214.02573	0.9
215.07004	1.5
217.08585	6.1
219.03049	0.9
222.06512	0.9
227.07109	6.7
231.05031	2.4
245.08101	12.8
249.06073	2.2
259.10104	1.0
273.07657	2.9
291.08646	45.2
292.08960	1.0
295.22559	1.0
302.30484	0.9
309.09653	10.7
416.14108	1.0
417.14917	1.8
459.79559	1.0
505.80533	0.9
516.82190	1.0
605.03375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
53.90255	2.1
55.05510	21.7
56.91821	2.5
57.07076	7.0
65.03929	3.6
67.05511	41.9
69.07070	23.2
70.76341	6.7
71.15539	1.9
79.05495	24.3
81.03407	2.4
81.07059	78.9
83.08623	13.1
85.06536	4.0
91.05470	22.6
93.07043	43.9
95.04991	5.6
95.08612	100.0
97.06558	3.3
97.10160	7.2
101.06441	2.6
105.06383	3.2
105.07039	37.3
107.07869	3.4
107.08598	63.2
109.06528	2.4
109.10158	81.3
111.08154	2.5
111.11728	3.6
117.07021	8.7
119.08585	78.3
121.10144	55.5
123.11701	28.1
125.09639	4.7
130.07809	2.0
131.08553	16.6
133.10135	57.6
135.11688	36.1
135.12685	2.5
137.09627	10.2
137.13290	10.3
139.11285	2.2
143.08620	7.4
145.10127	26.3
147.11691	34.9
149.09660	3.2
149.13245	19.3
151.11165	4.5
151.14839	3.6
156.09398	2.6
157.10129	10.6
158.10869	3.9
159.11690	41.1
159.18806	2.1
161.13240	27.7
163.11148	2.5
163.14812	15.9
169.10130	4.5
171.11681	20.0
173.13257	36.8
175.14828	18.9
177.16451	9.9
179.14339	2.5
185.13255	8.0
187.14830	27.9
189.16368	33.4
191.17986	11.1
197.13290	4.2
197.49461	2.3
199.14856	12.4
201.16341	16.7
203.18030	19.6
211.14786	5.0
213.16370	11.1
215.17886	14.6
217.19516	8.0
219.17482	4.5
227.18005	7.8
229.19507	5.4
239.18008	2.6
241.19542	4.6
243.21155	17.1
245.22546	5.0
253.19627	3.2
255.21179	5.4
257.22565	13.2
261.22186	21.9
269.22702	7.8
271.24280	9.9
281.22638	7.6
283.24176	32.8
297.25760	3.1
301.25262	5.8
315.26764	2.6
323.27304	4.3
327.26865	5.0
335.25809	9.4
351.30475	2.7
353.26794	9.4
353.30890	2.3
369.31491	3.5
459.39938	3.4
461.41452	3.1
509.54053	2.6
541.47803	28.6
559.48804	42.8
577.49719	8.7
595.50879	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	595.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23346	1.2
55.01870	2.4
55.05499	3.8
57.03436	1.3
57.07061	1.5
59.04984	1.5
61.02934	1.4
65.03936	2.4
67.05508	11.1
68.87901	1.2
69.03429	4.6
69.07072	5.6
69.51995	1.6
69.52335	10.5
71.04984	5.2
74.35173	1.2
79.05476	7.5
81.03407	2.6
81.07053	14.1
83.04989	3.3
83.08611	3.4
85.02902	11.1
85.06544	3.1
89.03959	1.1
91.05477	13.4
93.07048	12.1
95.05029	2.8
95.08601	19.2
97.02888	7.6
97.06544	8.7
98.20749	2.4
99.03875	1.4
99.04436	5.9
105.07024	16.5
107.04959	5.0
107.08597	17.5
109.06565	2.8
109.10164	18.4
111.04429	9.6
111.08083	3.9
115.05438	2.6
116.21824	1.3
117.03407	2.3
117.07041	3.1
119.04938	1.3
119.08576	41.1
121.06494	3.3
121.10143	14.5
123.08057	3.5
123.11707	4.8
125.05978	1.9
127.03931	3.9
129.07007	1.7
131.08571	7.5
133.06467	2.1
133.10126	19.5
135.04424	4.7
135.08070	3.8
135.11652	6.6
137.05945	3.4
137.09598	7.3
141.06982	1.8
142.07770	1.4
143.08575	5.2
145.02838	4.2
145.04991	2.0
145.06465	2.4
145.10110	15.7
147.04335	1.7
147.08017	3.7
147.11690	16.5
148.05110	1.9
149.06128	1.6
149.09601	2.6
149.13289	2.0
151.07530	1.8
151.11165	3.0
155.08595	3.1
157.10181	6.1
157.85516	1.2
159.08063	1.4
159.11682	10.3
161.09647	3.8
161.13281	7.3
163.02565	1.8
163.03912	24.8
163.11168	2.1
163.14819	5.7
165.05487	2.9
165.09100	2.8
165.12874	1.7
167.07057	11.2
167.10687	1.4
168.09346	1.6
169.10167	3.8
171.11661	6.1
173.02370	1.4
173.05949	1.4
173.09647	2.9
173.13223	7.1
175.11180	2.5
175.14815	1.6
177.05528	5.2
177.09009	1.8
179.10591	2.1
181.04930	13.7
181.10127	2.1
182.05190	1.2
183.11687	6.5
185.09520	1.6
185.13268	4.4
187.11208	5.5
187.14786	7.0
189.16397	3.6
191.10533	1.4
195.11665	1.4
197.09723	2.3
197.13293	7.7
199.11237	1.8
199.14833	3.4
201.16389	3.9
203.10625	2.6
205.12306	2.2
205.15735	2.6
209.08171	1.8
209.11774	2.0
211.11189	2.2
211.14803	3.2
213.16418	3.4
215.06992	1.9
215.14301	1.6
215.18042	1.7
217.12227	1.4
225.12830	2.8
225.16347	1.4
229.12234	4.3
231.13977	1.5
233.15547	1.6
237.16299	1.4
239.14337	3.3
239.17993	5.0
243.13814	4.2
245.15433	1.8
253.19571	6.2
257.15469	4.0
257.19028	4.9
259.09665	6.5
259.16946	2.5
263.17993	2.0
271.20618	3.8
273.04016	2.4
275.20102	3.5
281.19101	7.7
287.05545	1.7
289.21600	2.3
290.64169	1.1
299.20047	51.1
317.21112	100.0
385.12643	2.0
415.13937	2.8
416.14578	14.1
417.15369	2.7
550.97223	1.4
565.20007	1.5
595.21899	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	595.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01876	0.7
55.05506	8.7
56.96572	3.7
57.03439	7.3
57.07064	1.7
58.79637	0.6
65.03928	1.2
67.05506	32.5
69.03415	0.8
69.06721	0.7
69.07070	7.8
70.07919	0.7
71.58390	0.8
71.95260	0.7
79.05063	1.0
79.05496	17.9
80.77000	0.6
81.03417	4.6
81.07057	28.5
83.04964	2.3
83.08604	3.3
85.02898	1.0
86.09712	4.5
88.39483	0.7
88.81141	0.6
91.05465	9.1
93.07043	19.6
95.04962	1.6
95.08611	25.8
97.06509	1.3
97.10160	1.9
98.98469	12.9
99.04436	0.8
104.10719	2.3
105.07037	6.9
107.08613	9.9
109.02887	4.3
109.06500	1.2
109.10158	9.7
117.07019	2.2
117.40495	0.6
119.08595	6.8
121.10142	7.2
123.07999	0.8
123.11707	2.8
125.00014	3.0
127.03885	1.0
131.00188	0.8
131.08566	2.8
133.10158	4.5
135.08064	2.0
135.11688	4.8
138.52957	3.6
145.10139	1.7
147.11703	2.7
149.13290	1.9
151.11163	0.7
155.01006	1.9
157.53745	2.4
159.11687	2.0
161.13260	2.9
163.03915	1.7
163.06035	0.6
166.54306	1.3
169.04619	0.9
172.95264	0.8
173.09787	0.7
173.13202	0.9
175.02744	1.2
175.14795	0.9
179.14262	0.9
181.02563	0.9
184.07367	2.9
187.14854	0.8
193.03867	0.8
205.00014	0.6
216.97888	0.9
228.97900	0.7
236.83012	0.7
237.07909	0.6
240.09944	5.0
241.19394	0.7
243.21080	1.1
261.03848	3.1
261.22195	2.2
278.63934	15.6
279.14011	4.4
279.64453	0.7
303.23398	1.5
317.17975	4.1
317.24670	1.7
335.25803	100.0
336.26285	1.5
345.49191	0.9
358.20566	1.8
373.16919	1.2
386.20755	0.7
391.17865	1.9
436.74039	1.8
491.23111	1.3
620.68756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.5
51.27664	0.4
51.70771	0.5
53.03928	2.0
55.01871	1.1
56.61058	0.5
57.03433	1.1
57.81715	0.5
61.02917	0.8
61.79108	0.5
65.03946	4.6
67.05489	1.9
68.99800	0.5
69.03437	3.7
69.07072	1.1
70.06596	0.7
71.04980	0.4
71.50891	1.0
75.54269	0.4
79.05067	0.8
79.05493	8.4
81.03400	1.7
81.07058	1.2
82.04193	1.4
85.02898	6.4
87.04433	0.6
91.05478	3.7
93.03399	0.8
95.04967	5.1
97.02909	2.0
97.06522	1.3
97.61800	0.4
103.05470	1.0
105.04512	0.6
105.07039	4.3
107.04955	23.7
108.02146	0.6
109.02855	0.7
110.03672	2.3
111.04434	1.7
111.08139	0.6
115.05444	1.6
117.06999	2.1
119.04945	4.0
121.06504	1.2
123.04440	4.1
124.05233	3.3
125.06000	3.9
127.03918	2.4
128.98610	0.6
131.00150	0.6
131.04953	0.6
133.06490	4.9
134.15857	0.5
137.05977	0.8
138.03105	1.5
140.04695	1.2
142.02609	1.7
145.04909	0.5
145.05295	0.5
145.06490	5.0
147.00658	0.5
147.04417	18.4
148.04771	1.4
149.05888	0.7
152.04668	2.0
153.05432	1.3
155.07004	1.8
160.05193	0.5
161.05981	8.8
163.03940	0.5
167.07043	34.2
168.07419	0.7
171.06563	5.8
173.05988	2.7
177.05450	1.2
178.06215	0.6
181.04961	100.0
182.05272	1.0
182.99615	0.5
183.06526	2.7
189.05484	1.8
190.06142	0.9
191.06992	1.2
193.08600	11.0
201.00716	1.8
201.05487	1.4
205.08594	1.8
206.05644	1.3
207.06503	1.9
217.08580	1.1
218.05739	0.8
219.01666	0.6
221.08093	27.9
233.05823	0.8
233.08089	9.7
249.07556	8.6
261.07632	5.2
269.03253	1.0
276.07639	0.6
279.08627	1.9
295.05817	0.6
297.10968	0.5
321.07278	0.7
325.10843	0.6
369.13251	0.8
372.11850	0.6
373.12769	1.0
383.11118	1.4
387.14383	1.7
395.06277	0.8
397.12863	1.1
403.13904	51.0
404.14166	0.6
406.44366	0.7
415.13892	30.5
433.14957	13.2
565.19183	10.5
566.19806	0.7
591.71515	0.6
595.20007	5.5
595.79773	0.6
601.54816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
55.01864	3.3
56.96567	1.5
57.03426	4.7
61.02908	2.2
68.99771	1.7
69.03445	2.9
69.32955	1.5
70.54374	1.3
71.44737	1.5
71.45075	2.8
73.02902	1.6
81.03426	2.1
85.02906	12.0
85.81667	1.4
91.05473	4.7
93.03400	1.7
97.02869	1.8
103.03940	2.4
107.04955	3.6
109.02872	2.8
111.04439	2.1
119.04373	1.2
119.04966	13.4
121.02875	45.5
121.06483	1.6
127.03851	1.9
133.06538	2.1
135.04424	2.1
145.02846	4.8
145.06529	1.8
147.04413	22.4
148.04739	3.2
159.04471	1.7
163.03879	6.1
165.01872	1.6
173.06142	1.7
175.04018	3.6
177.05501	7.2
179.03358	3.5
181.04887	4.9
185.05930	1.9
187.03949	3.0
189.01837	6.0
191.03346	7.3
195.02913	8.9
196.55946	1.3
197.05934	1.9
201.05492	2.9
203.03337	7.9
205.04956	3.5
207.02899	12.2
213.05582	1.8
215.03369	3.9
217.04871	3.9
219.02875	8.9
221.04401	4.2
225.05620	1.9
229.05005	3.9
231.02879	4.1
233.04492	3.0
243.02869	3.3
243.06555	1.5
245.04329	1.6
247.05992	2.4
255.02882	1.8
257.04486	4.0
261.03961	2.7
267.06561	1.6
268.07245	3.5
269.04456	1.6
271.05908	3.0
273.03867	4.6
279.06519	5.3
280.07266	2.8
281.08112	6.6
283.06024	7.7
284.06528	2.0
284.66547	1.4
285.03967	5.2
287.05521	2.9
293.08063	2.5
294.05246	15.2
294.08389	2.5
295.06030	80.7
296.06683	9.1
297.04459	2.1
297.07419	8.8
298.08118	1.8
299.05759	1.6
303.05081	2.8
307.06021	50.9
307.09528	3.1
308.06760	16.0
309.07651	15.6
313.07089	5.1
317.08093	2.4
319.06177	7.6
319.09415	2.3
320.06747	3.5
321.07590	26.3
322.08310	11.4
323.05435	4.8
323.09192	3.7
325.07065	100.0
326.07431	2.3
329.08163	2.3
333.07611	9.7
335.05551	2.3
335.09128	14.0
336.06271	2.5
337.07065	63.7
337.11078	3.5
338.06943	1.7
345.07394	2.9
346.08389	2.1
347.09149	12.5
349.07059	32.4
350.07349	2.4
351.04620	1.3
351.08548	21.7
355.08127	16.9
357.07483	2.7
361.06964	18.6
361.10785	1.4
363.08728	6.9
365.10294	14.6
367.08142	5.8
373.07031	4.9
374.08078	2.0
375.08621	12.2
377.06189	2.1
379.08096	57.0
385.07004	3.3
387.08649	2.5
389.10300	4.3
391.08069	31.7
393.09351	2.1
397.09146	1.8
401.10327	1.7
403.08151	24.1
409.09238	42.0
415.07965	3.4
417.09671	1.9
421.09229	23.1
427.10269	34.5
428.10370	1.8
431.10870	2.0
433.09195	3.9
439.10278	29.6
441.10046	3.5
445.10284	6.6
457.11334	92.2
458.11685	2.5
463.10016	6.1
475.12381	21.0
481.11252	26.1
482.12213	1.6
487.10098	2.9
493.11160	5.6
499.12463	19.5
505.11319	8.3
511.12430	28.5
523.12360	21.8
529.13318	11.4
541.13495	30.0
559.14532	31.9
577.15607	17.7
585.22223	1.4
595.16528	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	595.1659
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
50.09192	1.6
57.03453	2.1
61.02917	3.2
68.62824	1.6
69.17874	1.6
70.37743	6.3
70.38121	3.4
73.02902	1.8
77.96875	1.9
79.04710	1.8
85.02911	6.2
93.03423	2.0
95.92185	1.8
103.03927	2.3
109.02937	1.8
115.76139	1.5
119.04923	8.2
121.02881	32.9
145.02858	5.6
147.04434	2.7
152.04466	1.7
153.74780	1.9
179.03389	2.7
187.03770	2.2
189.01852	7.4
191.03371	5.8
195.02937	7.0
197.05949	2.1
199.04005	2.3
203.03447	8.8
207.02863	8.6
215.03464	3.1
217.05000	5.0
219.03009	5.5
221.04518	4.0
229.04977	3.9
241.04973	2.1
243.02856	2.7
255.02934	2.7
267.06494	2.8
268.07370	4.3
279.06656	3.4
280.07315	2.4
281.08051	5.6
283.05994	9.5
284.06631	2.0
285.04117	3.0
291.06509	2.0
292.07031	1.9
293.07910	3.5
294.05203	19.6
295.06021	85.7
296.06693	7.9
297.07516	12.4
305.07919	2.0
307.06018	47.0
308.06824	18.5
309.07602	13.9
313.07050	5.1
313.92349	1.8
319.05981	6.5
320.06757	3.3
321.07526	26.5
322.08252	14.2
323.05481	4.3
323.09119	5.7
325.07059	96.6
329.07907	2.8
333.07611	8.3
334.08340	2.8
335.05496	3.3
335.09152	16.8
336.06171	3.5
337.07074	67.2
337.11142	3.2
339.08731	2.9
345.07733	4.0
347.09085	13.9
349.07043	28.8
350.07739	3.7
351.04526	2.5
351.08542	25.8
355.08124	19.9
357.07623	3.2
361.06989	17.9
361.10825	3.0
363.08618	7.3
365.06284	2.2
365.10318	14.1
367.08188	5.2
373.07025	7.4
375.08670	10.2
377.06396	2.6
379.08151	55.3
385.06958	4.5
387.08652	3.8
389.10336	5.4
391.08090	29.9
393.09695	3.2
401.10275	3.9
403.08084	22.6
409.09216	40.6
415.08221	2.6
417.09641	3.2
421.09201	24.6
427.10297	28.3
439.10260	30.9
445.10428	3.8
457.11322	100.0
463.10193	3.8
475.12363	24.3
481.11307	24.1
487.10303	2.6
493.11215	3.7
499.12250	20.3
505.11301	6.9
511.12482	24.7
523.12439	21.5
529.13446	12.4
541.13416	25.0
559.14398	27.8
577.15491	13.6
595.16315	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	595.1661
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03940	0.4
53.61366	0.1
55.01858	0.3
55.05489	0.1
57.03444	1.7
59.24404	0.1
61.02914	0.5
64.08842	0.1
68.99791	0.3
69.03132	0.1
69.03436	1.2
69.69666	0.7
71.04996	9.7
71.45346	0.1
73.02913	0.4
75.04487	0.3
77.06834	0.1
81.03409	0.5
83.04967	0.6
84.88589	0.1
85.02910	14.0
85.07684	0.1
85.83517	0.1
86.09689	0.2
87.04457	0.5
91.03931	0.2
95.04946	0.1
97.02893	1.2
99.04456	0.4
105.03392	0.2
107.04989	0.1
109.02889	0.6
111.00806	0.4
111.04433	0.3
118.00616	0.1
120.50488	0.1
121.02876	1.9
127.03923	1.0
129.05476	3.3
133.02870	0.4
137.02332	0.5
145.04971	0.7
147.04422	0.3
147.06563	0.8
153.01843	2.1
157.06502	0.3
161.07819	0.2
163.06114	0.1
165.01820	1.3
171.04402	0.2
181.04890	0.2
183.02895	0.5
185.05971	0.4
213.05498	0.8
213.07227	0.1
214.34308	0.1
231.06543	0.5
241.04947	0.6
258.05273	0.8
259.06110	0.3
269.04379	0.2
287.05508	100.0
288.05811	1.0
329.06760	0.2
351.74854	0.1
449.10773	0.6
475.77280	0.2
556.27075	0.2
595.21106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69769	0.9
69.58209	6.6
69.58618	1.6
93.07042	1.9
127.03864	1.2
136.93188	3.1
153.12683	1.1
154.94168	18.6
162.67305	1.0
172.95259	57.3
173.61221	0.9
173.98575	1.1
182.99706	2.8
183.42886	0.8
190.96295	33.3
195.96849	2.5
201.00720	10.7
206.41978	1.1
213.97908	1.5
219.01793	3.8
253.01526	2.2
255.03053	4.3
270.61057	0.9
289.05103	10.0
307.06226	41.7
308.87622	1.2
324.20474	1.1
325.07266	79.4
326.07550	1.1
327.03354	1.5
330.07700	2.0
343.08310	20.7
348.08887	5.8
386.31119	1.0
403.25262	0.9
412.47525	1.1
433.09409	100.0
434.09753	1.1
442.98550	1.4
451.10406	12.7
469.11401	4.3
474.11731	2.1
491.17075	1.0
595.14484	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.05498	0.2
56.96571	0.2
57.03441	1.4
61.02932	1.6
65.03926	0.2
68.99794	0.4
69.03423	0.6
69.84013	0.2
70.06606	0.3
70.90599	0.3
70.90935	0.3
71.04996	9.2
73.02907	0.6
75.04480	0.5
79.05511	0.3
81.03423	0.4
83.04971	0.4
85.02910	13.0
87.04500	0.4
91.03980	0.8
93.07042	0.3
97.02917	1.2
97.06496	0.2
98.97585	0.2
99.04419	0.2
105.03397	0.2
105.07030	0.3
107.04955	0.4
107.08578	0.2
109.02886	0.4
111.00809	0.4
111.04447	0.6
115.03934	0.2
119.04975	0.2
120.96679	0.2
121.02885	2.0
127.03917	0.8
129.05484	3.5
133.02867	0.4
135.04439	0.2
137.02354	0.5
137.06055	0.2
145.04932	0.4
145.06424	0.2
146.51019	0.2
147.04422	0.8
147.06511	1.3
153.01831	2.4
161.05977	0.4
163.03926	0.2
165.01842	1.4
167.07053	0.5
171.04413	0.2
175.03761	0.2
177.05463	0.3
181.04961	1.1
183.02893	0.6
185.05975	0.3
213.05527	1.0
213.07266	0.2
219.01895	0.2
221.07974	0.2
231.06599	0.5
233.08066	0.2
241.04958	0.5
249.99182	0.2
255.08818	0.2
258.05240	0.6
259.06134	0.3
287.05511	100.0
288.05789	1.6
329.06686	0.2
403.13705	0.3
415.13950	0.3
449.10947	0.4
535.22644	0.2
553.23718	0.2
555.12976	0.2
595.18549	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.145
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03928	0.2
55.01875	0.3
56.05739	0.1
57.03409	0.2
65.03939	1.6
67.05494	0.3
68.99834	0.3
69.03431	1.4
69.07082	0.2
69.38640	0.6
69.39062	1.1
79.05488	0.2
81.03425	1.8
81.07047	0.4
83.04974	0.1
85.02897	1.6
91.05483	11.5
93.07065	0.2
95.04961	0.3
95.08611	0.2
97.02900	0.5
97.06520	0.2
99.04491	0.1
104.54939	0.2
105.01865	0.3
105.07030	0.2
107.04960	0.4
109.02869	0.8
111.00807	0.3
113.02468	0.1
119.04949	27.0
119.08601	0.4
120.05363	0.2
121.02864	1.7
127.03905	1.2
129.06978	0.2
133.02826	0.3
133.10152	0.2
137.02328	0.4
137.06041	0.2
143.74049	0.1
145.02869	0.2
145.04941	0.4
145.06494	0.2
147.04416	100.0
148.04761	1.1
153.01826	1.7
154.66039	0.1
157.06563	0.2
161.06119	0.2
163.03896	0.2
165.01845	0.7
165.05492	0.7
167.07066	0.4
177.05409	0.2
178.63153	0.1
181.05054	0.3
183.02893	0.4
185.05927	0.3
203.07062	0.4
213.05501	0.6
231.06604	0.5
241.05054	0.3
243.06561	0.2
258.05283	0.7
259.06165	0.2
259.09726	0.2
287.05511	48.0
288.05869	1.1
291.08636	1.8
309.09637	0.8
327.05081	0.3
329.06458	0.4
332.78119	0.2
375.11972	0.2
400.27353	0.2
405.09839	0.5
415.16263	0.2
416.14621	0.3
417.89215	0.2
433.09259	0.3
595.21783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03943	0.3
57.03439	0.4
59.06131	1.8
60.04523	0.5
65.03942	1.2
67.05508	0.4
69.03431	1.7
69.07073	0.2
70.06586	0.3
70.13567	0.8
72.08154	0.2
74.06085	0.3
76.80210	0.2
78.04688	0.2
79.05487	0.6
81.02976	0.3
81.03422	3.7
81.07059	0.5
85.02896	1.4
91.05481	9.1
93.07054	0.5
95.04961	0.6
95.08599	0.3
97.02889	1.2
97.06524	0.5
98.20809	0.2
99.04450	0.3
101.07149	4.2
103.05444	0.3
105.03384	0.4
105.07022	0.6
107.04966	1.1
109.02874	1.4
111.04382	0.3
115.05459	0.3
117.03457	0.2
117.07003	0.5
119.04947	20.2
119.08602	0.4
120.05274	0.2
121.02885	0.5
121.06532	0.2
121.10182	0.3
127.03888	0.8
129.07034	0.3
131.04921	0.4
131.08591	0.3
133.02863	0.2
133.06505	0.2
133.10164	0.2
135.04442	0.5
135.08060	0.3
137.02361	0.3
137.05963	0.9
145.02878	0.3
145.06479	0.6
147.04413	100.0
148.04758	1.1
148.10997	0.2
149.13692	0.2
151.07494	0.4
153.01814	0.8
154.06212	0.2
161.06041	0.4
163.03896	0.9
163.07535	0.2
165.01823	0.4
165.05505	4.1
167.07025	2.7
171.06592	0.3
173.05968	0.3
177.05505	1.0
179.03453	0.2
179.07112	0.3
181.04971	5.1
189.09090	0.2
199.83743	0.2
200.23495	0.2
201.05518	0.3
204.27071	0.2
205.08656	0.4
213.05566	0.4
219.06441	0.3
220.07295	0.5
221.08109	0.3
233.07996	0.3
234.09021	0.2
235.09601	0.3
258.05270	0.3
287.05508	20.9
288.05917	0.4
291.08621	5.5
291.11609	0.4
307.09531	0.3
309.09689	2.4
315.19260	0.3
355.11737	0.2
385.12759	0.7
398.13370	0.6
415.14063	0.4
416.14685	6.3
529.91632	0.2
565.20428	0.3
595.21405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58913	2.0
55.01867	4.1
55.05508	17.2
56.96560	2.2
57.03439	12.9
59.45879	1.9
67.05507	25.7
69.03415	5.3
69.07065	8.5
71.04990	4.3
71.57852	3.2
79.04711	2.0
79.05493	24.3
81.03416	45.8
81.07053	27.9
83.04963	5.5
83.08619	15.3
84.11977	2.0
85.02881	3.6
91.05474	22.5
93.07051	21.1
95.04958	21.8
95.08608	17.7
97.02882	4.7
97.06520	4.2
97.10168	15.0
105.07030	21.5
107.04928	15.9
107.08595	14.5
109.06509	7.8
109.10131	9.4
111.04496	2.7
111.08061	4.6
117.07024	6.3
119.08578	16.2
121.06491	10.1
121.10148	9.5
123.04360	2.2
123.08070	5.0
125.09650	14.8
127.03944	2.9
128.31367	1.8
129.07031	9.9
131.04958	2.4
131.08563	12.9
133.06493	4.6
133.10132	7.4
135.04436	2.2
135.08058	5.0
135.11679	4.2
137.05965	3.3
137.09554	2.3
143.08508	3.2
145.06500	3.4
145.10161	6.1
147.08063	5.7
147.11702	7.9
149.09610	3.3
153.09105	3.2
155.08505	1.9
157.10138	11.3
159.04439	2.9
159.08144	2.1
159.11752	3.6
161.09541	2.1
163.03932	6.2
163.11214	3.0
167.10626	2.1
173.13255	2.2
175.11230	6.3
177.05515	2.5
177.12869	2.0
189.11252	8.6
193.12273	13.4
195.11633	2.2
215.10626	3.8
227.12804	2.6
233.15411	4.4
241.14325	2.1
267.15918	40.8
273.14862	6.7
293.17368	2.9
317.15720	2.4
335.25656	14.4
339.23221	2.4
349.21652	4.8
367.22690	15.3
385.23709	25.6
403.24734	9.1
441.26486	9.2
459.27417	100.0
460.27396	2.3
477.28500	89.8
491.30151	13.3
509.31003	7.3
541.33594	2.6
577.29443	3.2
589.55652	1.8
594.29108	4.6
595.30823	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	594.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89402	0.5
53.03952	0.4
60.01896	0.5
61.02929	0.8
61.48949	0.4
64.05022	0.4
67.05479	0.5
69.03432	1.9
70.06588	1.1
71.04998	0.5
71.58769	0.4
71.59145	0.6
73.02913	0.8
73.06563	1.5
74.06064	0.7
79.05495	0.7
81.03432	1.4
81.07059	0.9
84.08150	0.5
85.02906	7.6
86.09715	0.8
87.04475	5.8
89.06033	100.0
90.06430	0.5
91.05490	2.1
91.07605	0.5
95.04971	0.8
97.02891	8.0
98.97601	0.7
103.05478	0.9
105.07037	0.8
107.04948	2.5
107.07087	4.3
109.02839	0.6
109.06470	0.5
110.03633	0.4
119.04951	0.5
120.08141	0.6
121.02865	1.1
125.06045	0.6
127.03909	1.5
130.08620	1.6
131.04938	1.0
131.07051	2.6
133.08604	62.9
135.10115	0.6
145.02837	2.0
145.05002	0.9
145.10158	0.5
147.04405	2.4
149.05995	0.7
161.05981	0.8
163.03902	0.5
167.07072	3.5
172.78212	0.5
174.89731	0.5
175.09694	1.4
175.14926	0.6
177.05475	5.7
177.11223	27.7
178.05873	1.2
181.04947	5.9
189.05121	0.5
189.12819	0.5
193.08606	0.6
193.72829	0.4
195.12256	0.9
221.08043	1.1
221.13832	7.1
227.12859	0.6
233.08122	1.7
237.02763	0.6
239.14838	2.6
249.09764	0.6
250.07155	1.1
265.16516	1.6
267.10699	1.1
279.08725	0.5
283.17557	4.3
294.05212	0.7
295.06003	2.6
307.05994	1.3
309.14124	0.7
309.19043	1.5
321.07764	0.6
325.07120	2.2
327.20111	4.5
333.98315	0.5
337.06976	1.3
349.07034	1.2
351.08829	1.0
365.10159	1.0
371.22726	4.8
379.08167	1.8
391.08011	1.2
403.08228	0.7
403.13849	1.3
409.09171	1.6
411.14905	3.1
412.15482	0.7
415.14084	3.5
415.25381	72.8
416.25882	1.3
421.08902	0.9
427.12408	0.9
428.12933	0.7
433.15109	1.3
439.10452	0.8
457.11267	2.8
475.12564	1.0
511.12329	1.2
541.13428	0.9
559.14404	0.7
577.15558	0.8
594.33740	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34704	0.3
65.73457	0.3
69.29171	1.4
69.29594	2.2
72.44131	0.3
76.24407	0.4
84.76024	0.3
92.07217	0.3
98.21452	0.6
115.22231	0.4
267.11584	0.3
294.90948	0.4
331.10211	0.4
400.60928	0.3
402.18643	0.5
403.19223	2.2
404.20023	0.7
405.20761	1.3
416.20493	0.7
417.16391	0.7
417.21542	2.5
418.21896	1.6
419.22339	2.8
430.17691	0.7
431.18121	5.4
432.19464	1.5
433.24142	5.8
434.24329	1.0
445.19904	7.4
446.20709	3.2
447.21783	4.0
459.21365	2.7
460.22549	9.0
461.23328	9.6
462.23969	0.6
468.32150	0.4
473.23590	2.1
474.24066	0.7
476.25818	1.4
477.22284	0.6
487.25137	1.2
491.24457	0.8
492.24982	0.7
505.21884	3.2
518.23395	0.5
519.23706	0.8
533.25513	39.0
534.25800	2.6
547.26611	0.6
564.23999	0.5
565.27637	0.8
593.27606	100.0
594.27960	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	593.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56944	0.2
60.28269	0.2
66.40202	0.3
67.05489	0.4
69.07057	0.4
69.21663	0.2
71.04967	0.3
81.03388	0.2
81.07066	0.4
85.02921	0.2
93.07035	0.3
95.08621	0.4
97.02887	0.5
98.20757	0.4
105.07084	0.2
107.08607	0.4
109.10208	0.4
119.08592	0.4
121.10091	0.4
133.10168	0.4
133.18462	0.3
137.09660	0.3
169.04753	1.0
187.14774	0.3
189.05287	0.9
199.75101	0.3
201.99495	0.2
211.09282	0.2
219.06293	2.0
234.08632	9.2
234.10970	0.4
235.09378	1.6
237.14682	1.0
249.68295	0.3
269.17670	0.3
277.91724	0.3
353.16428	0.2
381.18863	3.0
552.80011	0.3
563.28192	0.4
593.29315	100.0
594.29474	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2756
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
56.18313	0.4
71.32596	0.6
80.87074	0.3
90.50822	0.3
96.28391	0.4
109.93988	0.3
133.63402	0.3
146.71426	0.3
201.58667	0.4
405.20969	0.3
419.22348	0.6
431.18475	2.6
432.18796	0.7
433.23999	2.7
434.24429	0.6
445.19781	1.6
446.20676	1.5
447.21582	2.9
459.21521	1.7
460.22552	10.3
461.23260	8.1
462.23804	0.5
473.23682	1.6
474.24387	0.4
476.26233	0.7
477.22705	0.4
487.24966	1.1
489.26404	0.6
491.25003	0.6
492.25433	1.0
505.21948	4.8
515.24115	0.6
518.23346	0.4
519.24182	1.1
533.25500	30.4
534.25604	2.1
547.27161	0.4
564.23376	0.6
565.28229	0.7
575.26526	0.4
578.25104	0.5
593.27570	100.0
594.27893	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	592.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.4
55.05265	2.5
55.05515	33.9
57.03440	13.6
57.07082	36.1
64.58595	2.2
67.05505	48.8
69.07063	9.3
69.27618	23.2
69.84490	1.7
71.08633	21.7
79.05508	10.7
81.03428	2.7
81.07056	30.1
83.04983	3.4
83.08619	14.1
85.02908	15.5
85.06565	2.2
85.10196	11.7
86.09720	4.0
87.04458	9.1
91.05468	3.3
93.07027	5.3
95.08612	23.5
97.06502	2.4
97.10162	26.2
98.21570	2.8
104.10736	6.9
105.07030	3.0
107.08587	8.0
109.10154	33.9
113.08763	1.9
119.08604	2.5
123.11708	3.2
125.00020	3.5
125.09628	27.0
135.11707	2.0
137.09718	2.0
143.10655	6.1
145.10202	2.5
155.10757	2.0
157.33560	1.8
163.11198	4.6
173.11699	11.4
184.07352	9.1
199.13274	13.7
209.11597	2.4
223.80417	2.1
227.12794	8.6
229.14374	39.7
230.14882	2.0
239.23744	7.2
241.32991	2.2
254.99901	2.2
301.16458	24.1
313.27362	100.0
316.85797	2.3
319.17590	2.4
437.36243	7.7
455.37357	20.3
467.37445	18.9
535.54919	2.5
539.39484	10.3
557.40179	3.5
592.26544	2.7
592.42926	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	592.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13982	1.5
53.95225	1.3
55.01857	3.4
55.05267	1.8
55.05511	28.1
57.03437	14.1
57.06824	2.2
57.07078	33.2
59.05001	3.1
67.05504	45.1
69.07067	12.5
69.38858	8.8
69.39281	6.5
71.05001	1.9
71.08633	23.1
74.38026	1.6
79.05494	14.4
81.03419	2.5
81.07059	23.6
83.04972	4.2
83.08624	14.3
84.47163	1.4
85.02920	13.1
85.06528	2.3
85.10181	15.7
87.04455	6.8
91.05475	5.0
93.07059	8.5
94.07389	1.3
95.04977	1.6
95.08611	22.7
97.10173	20.3
103.03893	1.5
107.08618	10.1
109.10159	33.8
111.11710	1.9
116.70815	1.5
119.08572	4.8
121.10185	2.0
123.11693	3.7
125.09639	18.0
133.10120	2.3
141.49550	1.8
143.10655	3.7
145.10030	1.6
155.10556	2.0
163.11145	2.7
173.11729	10.6
199.13315	11.7
209.11754	1.8
218.89824	1.5
227.12769	4.1
229.14342	39.8
239.23660	3.7
243.21234	1.6
244.21442	2.0
257.24750	3.1
261.22162	2.2
262.22464	2.7
283.15475	2.4
301.16507	11.5
313.27386	100.0
314.27701	5.7
319.17545	2.1
335.25800	2.9
336.26010	3.4
437.36148	5.2
455.37436	11.2
467.37308	19.7
539.39294	5.5
592.26312	2.0
593.27106	6.1
593.35962	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01865	0.4
55.05505	2.2
57.07055	0.7
67.05495	2.6
69.03429	2.1
69.07069	3.4
69.83378	0.4
70.06586	1.0
72.08147	0.5
75.97413	0.4
79.05494	2.9
81.03408	0.8
81.07053	27.3
82.07331	0.4
84.08121	0.4
85.02898	2.1
86.09719	0.8
91.05468	1.0
93.07037	4.4
95.04978	2.7
95.08601	13.7
97.02873	1.6
97.06525	4.1
97.10165	5.7
98.20692	0.6
98.98485	0.9
99.04423	0.9
103.05455	0.6
105.07000	1.3
107.04925	0.8
107.08586	4.4
109.06470	0.5
109.09393	0.4
109.10139	2.1
111.04346	0.4
113.06000	20.3
117.07085	0.4
119.04911	0.4
119.08586	1.0
121.06496	4.2
121.10126	2.0
123.08074	3.7
123.11665	0.7
125.00652	0.4
125.05068	0.5
125.05989	7.9
127.03904	0.6
129.20160	0.4
131.08624	0.7
133.10152	1.3
135.08049	0.8
135.11687	4.7
137.05954	0.9
137.09633	0.8
137.13248	13.6
141.44659	0.4
144.21257	0.3
145.02792	0.5
147.04433	0.6
149.13251	8.0
151.11160	1.0
159.11658	2.2
163.03931	2.3
163.07483	0.5
167.07043	0.5
177.05434	0.6
177.12737	16.0
186.17828	0.3
195.13800	100.0
196.14192	1.0
223.78944	0.4
235.10873	2.1
236.16362	0.6
346.97672	0.4
357.19058	5.2
447.94485	0.4
466.33377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.2
55.05511	40.2
57.03440	18.4
57.07077	39.2
59.04994	2.5
65.03952	1.6
67.05505	58.8
68.96169	1.0
69.03430	1.9
69.07076	13.3
69.46230	4.8
69.46667	5.3
71.04988	2.9
71.08633	28.0
79.05495	13.9
81.03413	2.1
81.07056	29.4
83.04993	3.2
83.08627	17.9
85.02904	12.2
85.06525	2.7
85.10184	11.5
87.04476	8.2
89.06042	1.5
91.05477	6.5
93.07046	6.9
95.04978	1.9
95.08603	23.6
95.09164	1.9
97.06510	1.7
97.10178	19.6
98.21486	2.4
99.08121	1.7
99.12726	1.1
103.03952	1.8
105.07004	2.4
107.08601	7.7
109.10162	38.5
111.08105	2.0
111.11709	1.4
119.08582	3.9
121.10167	1.7
123.08046	1.4
123.11706	3.5
125.09641	21.5
131.08598	1.4
135.11696	1.9
137.09651	2.4
137.13220	1.4
143.10664	6.2
145.10123	1.7
153.12691	1.4
155.10725	2.1
163.11133	1.8
173.11754	10.1
182.91882	1.1
193.96338	1.1
199.13297	16.5
209.11832	1.4
227.12811	5.0
229.14354	49.0
239.23869	5.7
257.13751	1.8
257.24893	1.5
262.22623	1.6
283.15421	1.2
301.16418	14.7
313.27362	100.0
314.27658	4.7
319.17426	1.6
336.26050	2.4
341.26889	2.7
382.06882	1.5
437.36206	5.5
455.37286	10.3
467.37366	23.6
486.25272	1.2
533.25262	1.7
539.39258	4.7
593.27179	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	591.2783
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
55.99764	0.3
57.01998	0.3
70.00149	1.2
79.05531	0.3
81.03440	0.3
81.07065	0.7
85.02906	0.4
93.07065	0.6
95.04973	0.5
95.08630	0.6
97.02922	0.6
105.07047	0.3
111.08102	0.5
119.08571	0.5
127.03931	0.6
131.08662	0.3
169.04776	1.3
217.04707	1.3
224.55453	0.3
232.07066	11.5
233.07932	1.2
237.14655	1.1
279.15857	0.3
365.19598	0.5
381.18915	3.1
453.25806	0.3
547.27332	0.3
591.27753	100.0
592.28400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14481	5.7
57.03436	18.5
57.07077	42.9
58.21223	7.2
67.05491	21.8
69.07057	12.7
69.69821	48.0
71.08636	42.7
76.52856	5.9
79.05492	14.1
81.03414	74.1
81.07049	19.2
83.08611	24.4
83.21971	7.7
84.32605	6.7
85.10172	15.6
91.05498	15.6
93.07056	6.8
95.04971	17.9
95.08606	19.5
97.10165	7.5
105.07018	9.9
109.10181	9.2
119.08580	7.9
121.06505	6.5
133.10150	7.7
147.11703	12.2
175.11127	11.7
193.12225	23.0
219.97765	6.5
224.07448	6.1
267.15918	98.1
313.27365	100.0
436.12228	8.6
505.38745	68.9
590.48492	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	591.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07220	1.2
53.03938	1.5
53.45194	1.2
55.05509	4.0
57.03434	1.9
57.07079	1.7
61.02949	1.5
65.55064	1.3
67.05511	10.2
69.03432	8.5
69.07072	8.1
70.05605	1.2
70.05929	6.3
70.06581	2.2
71.04994	2.7
73.02905	1.5
79.05480	5.8
81.03422	4.4
81.07057	11.7
81.90813	1.2
83.04985	5.7
83.08623	4.2
84.97894	1.4
85.02917	10.3
85.06535	4.4
86.09718	2.6
86.31139	1.2
87.00817	1.2
91.05473	5.3
93.07044	6.8
95.04988	3.2
95.08607	17.4
97.02894	8.7
97.06546	2.5
98.21400	1.6
99.04471	1.8
99.08087	2.5
105.01880	1.5
105.07040	5.4
107.04961	1.7
107.08608	9.7
109.02866	2.1
109.06512	3.9
109.10161	45.7
111.08081	1.3
115.05507	1.4
117.07018	2.1
119.08593	14.0
121.10152	6.6
123.08078	7.5
123.11722	3.6
125.09677	2.2
127.03925	5.5
131.08582	2.6
133.10138	13.1
135.11694	43.8
137.05930	1.8
137.09624	7.4
139.11136	1.3
142.07672	1.2
143.08641	1.8
145.02861	2.5
145.06531	1.2
145.10117	1.4
147.04404	3.1
147.11682	1.8
147.36568	1.2
149.13266	3.9
151.11203	3.6
151.14816	8.1
157.10072	1.4
163.11142	1.4
165.16382	2.0
167.07086	1.4
175.11140	1.6
175.14839	17.5
177.05499	3.1
181.05052	1.4
193.15878	23.0
211.16934	100.0
213.12888	1.5
231.04936	1.3
267.15976	4.9
321.22528	1.5
357.18829	18.8
411.29636	1.2
412.29871	2.1
480.33023	1.3
505.19962	2.0
591.19794	3.7
591.28595	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	590.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89022	1.5
59.26606	1.1
65.03938	2.9
69.03416	5.5
70.06603	1.6
70.68598	1.2
71.58756	1.9
71.59183	2.0
81.03434	2.2
85.02901	9.8
86.09700	1.4
91.05476	10.2
93.07037	1.6
95.04990	1.4
97.02870	3.2
103.05459	18.2
105.07050	2.7
107.04945	2.5
111.04430	4.2
115.05498	1.4
117.07054	1.7
119.04932	12.7
121.06487	2.1
122.03622	3.4
125.06052	1.9
127.03922	2.9
128.70042	1.2
131.04932	42.1
133.06487	2.6
135.04382	1.9
137.05977	100.0
138.06290	1.3
145.04926	2.1
145.06522	2.2
147.04395	21.1
147.08139	1.4
149.05943	4.3
150.06798	1.8
151.07524	4.3
153.05469	4.9
157.06424	1.9
159.04375	2.5
161.05975	14.2
162.06757	4.0
163.03874	2.7
163.07547	60.5
164.08110	1.9
165.05476	8.4
174.06761	2.6
175.07520	11.7
177.05450	4.2
179.07050	19.0
191.07103	10.4
191.08638	2.3
195.08051	1.3
197.08015	1.5
203.07034	13.1
204.17067	1.6
205.08574	2.8
209.08098	1.4
215.07126	1.8
217.08620	2.1
221.08051	13.1
233.08029	5.6
235.09592	6.7
265.08508	2.1
267.10004	1.4
277.08469	2.0
295.09576	3.5
297.11246	3.4
309.11237	2.8
311.12640	1.5
315.12161	3.9
325.10812	2.1
327.12247	4.6
329.13626	4.3
341.12787	1.5
343.11691	6.9
345.13287	22.8
357.13306	2.7
375.14301	3.1
536.46246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.3
53.03939	1.3
55.05514	2.2
56.96555	2.1
57.82112	1.1
65.39185	1.2
67.05499	4.6
69.03445	8.1
69.07071	4.7
71.59498	2.4
73.02905	1.6
75.56509	1.2
76.75197	1.6
79.05504	6.1
79.14643	1.2
81.03423	4.2
81.07056	9.3
81.89125	1.2
83.05006	2.6
85.02914	6.6
85.06545	2.6
86.09714	1.7
87.00862	1.9
91.05481	4.7
93.07046	5.7
95.08624	4.9
97.02928	8.2
99.04464	1.2
103.05506	1.6
105.01865	2.1
105.07016	6.1
107.04959	5.4
107.08606	24.3
109.02917	4.4
109.06522	5.6
109.10155	6.5
119.04992	1.5
119.07783	1.1
119.08607	5.4
121.06495	3.1
121.10149	11.1
122.07275	3.9
123.08069	1.4
127.03936	11.2
131.04932	2.2
131.08588	2.5
133.10135	100.0
135.08049	9.7
135.11729	2.2
137.06001	3.5
137.09618	58.5
145.02919	1.6
145.10216	2.8
147.04439	3.0
147.11662	3.8
149.13263	9.6
150.07707	1.5
158.10927	1.5
163.14859	3.3
170.08197	1.3
173.13292	4.8
175.07512	1.5
177.05537	2.4
182.99797	2.0
191.14317	95.1
201.00708	10.2
209.15390	12.5
219.01814	3.6
224.02295	1.5
231.05193	1.3
236.73106	1.4
241.07236	1.5
261.43234	1.5
287.05502	6.3
297.01773	1.2
323.12350	1.8
403.17484	1.5
421.18579	3.5
439.19821	3.5
463.06888	1.3
503.09219	3.2
545.10553	9.5
589.09387	30.1
589.24548	3.2
590.09711	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	589.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
57.03411	0.7
63.02351	0.5
67.01863	1.5
67.05489	0.9
69.03437	3.3
69.07059	0.5
69.40739	4.2
71.04972	1.3
79.05505	0.7
81.03426	4.7
81.07048	1.3
83.08620	0.5
85.02900	3.8
87.00827	0.7
89.03922	5.6
91.05476	1.5
93.07022	0.9
95.04979	0.9
95.08601	1.2
97.02905	4.5
98.20729	0.5
99.04444	1.9
100.66361	0.5
105.07036	1.3
107.08576	0.6
109.02882	8.6
111.04471	0.9
117.03388	18.1
119.08564	1.0
121.10101	0.5
125.09629	0.4
127.03922	5.9
131.08543	0.5
134.03610	1.8
135.04393	1.9
135.11771	0.5
137.06133	0.4
139.96770	0.5
145.02855	51.3
145.10063	0.6
146.03194	0.5
149.05974	7.2
157.10207	0.5
158.06096	0.7
161.09602	0.5
163.03909	1.2
175.07574	1.4
177.05479	100.0
178.05829	1.5
186.05472	2.8
189.09164	1.0
195.06508	4.6
201.09088	0.6
232.07286	0.8
255.10121	1.5
270.23209	0.5
273.11282	4.6
321.09680	2.0
354.81961	0.4
365.08389	0.6
379.14151	0.5
407.09583	1.3
425.10846	19.3
589.25507	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.05518	13.7
57.03440	8.6
57.07066	5.7
66.12357	2.1
67.05506	9.4
69.07069	12.0
71.08642	3.4
71.31951	4.2
79.05509	9.1
80.72364	1.7
81.03418	40.1
81.07066	12.3
83.04986	2.5
83.08619	20.0
85.10161	1.8
91.05466	8.5
93.07043	5.5
95.04944	10.3
95.08625	6.0
97.10194	9.9
105.07027	9.1
107.08586	4.4
109.10140	2.7
111.04426	2.4
111.08070	5.6
111.11726	2.4
119.08575	5.6
121.10143	4.8
129.06989	5.5
131.08591	3.5
133.10121	4.1
147.11696	4.7
149.09619	3.0
156.87665	1.6
157.10120	6.4
175.11200	3.6
193.12282	17.0
257.22409	2.0
267.15930	100.0
268.15903	2.5
295.09378	1.8
311.25821	63.9
312.25995	2.6
503.37350	39.5
588.46893	5.2
589.39526	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02201	0.6
53.03941	3.3
55.01865	2.8
56.96561	2.2
57.03428	1.4
61.02918	1.5
68.57761	0.7
68.58183	0.7
68.99814	1.0
69.03423	11.6
69.99936	3.9
70.06571	0.8
71.04974	1.7
72.75624	0.7
73.02913	2.9
74.14264	0.8
79.05488	2.4
81.02991	0.8
81.03419	10.3
81.07037	1.4
84.96012	0.8
85.02422	1.4
85.02899	18.1
86.32256	0.8
87.00813	6.9
91.05473	4.4
94.04175	1.7
95.04964	0.8
97.02892	7.3
98.97575	0.9
99.04439	4.6
103.05442	3.6
105.01839	3.7
105.07043	4.1
107.04967	1.3
109.02871	9.3
109.06501	2.4
115.03975	1.4
115.05445	3.3
117.01863	0.9
117.07022	1.3
119.08559	3.3
121.06487	0.8
122.03629	6.9
127.03910	14.3
128.06235	1.2
129.01855	1.6
129.07024	1.9
131.04913	7.8
132.05698	3.0
133.06487	2.2
137.05969	100.0
141.07008	1.3
143.04916	1.0
145.02817	1.0
145.04922	4.0
145.06557	1.2
146.03600	1.2
147.02855	1.0
147.04416	1.2
147.08038	4.8
149.05978	2.3
151.07556	0.9
155.04807	0.7
156.05722	1.4
157.01807	0.9
159.02905	5.0
159.08038	1.8
160.05186	2.3
161.05980	13.0
163.03905	4.5
163.07521	15.1
168.05728	0.8
169.06459	1.0
171.08105	1.2
175.07536	61.2
176.07861	0.8
177.05418	1.6
184.05215	2.0
185.05865	1.0
186.06808	0.8
187.07555	4.8
189.06996	0.9
190.07741	1.3
191.08582	2.9
196.17566	0.9
199.07532	15.3
201.00700	1.1
201.09140	2.1
202.07779	5.0
203.06860	1.3
203.08531	10.0
205.05296	1.2
211.06392	1.0
219.08058	4.8
220.08827	3.0
223.06390	5.6
230.07266	1.4
231.05002	1.0
231.05486	1.1
231.08034	11.5
232.08806	3.2
235.07423	1.1
235.11415	1.0
241.07500	2.8
245.09741	1.0
247.07507	3.5
248.08281	6.1
249.09085	1.2
251.10648	3.0
259.07550	9.5
260.08255	2.8
261.09045	1.6
262.09940	0.8
263.07059	0.9
263.07877	1.0
263.10635	7.6
265.07611	3.5
269.03387	1.5
276.07837	6.0
277.08572	4.4
279.10001	3.7
280.10849	1.1
281.07959	0.7
283.08505	5.2
291.07053	1.4
291.10144	18.2
292.10910	3.8
293.08054	2.3
295.13245	2.7
301.09384	0.9
303.09830	0.8
308.10428	4.9
311.04544	1.1
311.12769	10.1
323.12756	47.5
324.12964	1.0
325.14334	4.2
335.12823	1.0
341.13736	1.0
352.26410	0.9
367.10559	2.0
367.28802	0.8
529.14172	4.4
545.10773	2.7
589.09479	3.2
589.16760	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	588.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.3
56.05022	0.8
57.19347	0.2
58.06600	0.4
60.08167	5.9
71.07379	2.7
71.59223	0.3
71.59605	0.3
81.07074	0.5
85.52367	0.2
86.09709	29.3
93.07066	0.4
95.08566	0.5
98.98473	2.7
104.10754	3.5
107.08602	0.3
108.88087	0.2
109.10171	0.3
121.10138	0.3
125.00011	19.9
143.01021	0.3
166.02649	0.3
174.47641	0.3
179.14336	0.3
184.07349	100.0
185.07671	0.9
245.40428	0.3
570.35419	1.2
588.36700	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	588.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01871	2.9
55.05515	8.0
57.03428	4.5
67.05504	16.7
69.03434	12.2
69.07066	6.5
71.04995	13.4
71.61689	1.6
73.02904	3.0
79.05498	15.4
81.03413	19.7
81.07069	31.6
82.92437	1.8
83.04987	9.8
83.08629	4.6
85.02908	20.0
85.06530	2.0
91.05493	16.0
93.07040	13.7
95.04979	5.9
95.08609	34.8
97.02888	12.6
97.06543	6.3
97.10174	3.5
99.04461	3.1
103.05511	2.3
105.07029	15.4
107.04957	20.3
107.08561	8.9
108.04491	5.4
109.02887	10.7
109.06530	2.6
109.10158	6.3
111.04441	7.0
111.08092	3.0
115.03938	2.0
117.07043	3.4
119.08592	17.0
121.06484	3.9
121.10156	6.7
123.04431	1.7
123.08079	4.3
127.03924	16.6
129.05495	6.2
129.07019	2.2
131.08560	2.1
133.06548	2.1
133.10146	10.4
134.04739	1.7
135.08069	10.6
135.11684	6.5
137.06029	1.5
137.09662	2.1
137.13271	2.7
139.07521	1.6
143.08569	1.7
145.06512	2.2
145.10124	2.9
147.11714	2.2
149.13292	2.2
151.07553	7.2
155.08492	1.7
155.51976	1.7
157.10088	1.5
159.11670	3.8
161.09627	1.5
161.13269	19.2
163.07555	19.8
167.07050	63.2
171.11617	1.9
173.05913	1.4
173.11841	2.1
177.12766	2.0
179.14346	10.5
180.07791	1.7
185.13338	1.7
187.14922	2.3
193.12299	1.7
193.15883	1.6
195.10190	21.4
195.13878	2.1
197.15405	5.8
213.11227	100.0
214.18129	2.1
225.14787	1.8
237.14886	1.7
239.09163	1.9
263.16501	2.5
269.22675	2.5
281.17188	1.5
287.16397	6.0
287.23679	3.5
293.12515	2.5
305.17447	17.7
321.13559	2.2
323.18536	43.2
341.19592	19.5
589.26141	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	588.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01852	0.4
55.05262	0.8
55.05510	10.3
59.04983	1.0
67.05513	0.6
69.03415	0.9
69.07061	1.1
71.04988	10.8
71.11515	1.0
73.06562	2.1
77.23931	0.4
79.05505	2.3
81.07055	10.0
83.08617	36.7
85.02913	2.3
85.06525	1.6
87.00819	1.0
89.38621	0.4
91.05467	1.6
93.07042	9.0
94.80297	0.4
95.04902	0.5
95.08608	2.1
97.02905	1.1
97.06521	1.0
105.01850	1.6
107.08592	6.6
109.02911	1.1
109.10159	0.9
127.03915	1.3
130.41478	0.4
135.11693	15.3
137.05965	1.1
137.62701	0.4
153.12741	100.0
154.13127	0.8
163.03856	1.2
175.07565	0.6
231.05006	0.5
249.06020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.8
54.02959	2.7
55.01866	5.9
55.05511	24.0
57.03436	12.3
64.41280	2.5
65.03946	3.2
67.05173	4.4
67.05506	69.7
69.07075	15.2
71.01366	4.7
71.05018	3.5
79.05497	50.8
81.03416	27.1
81.07061	53.2
83.04974	6.5
83.08609	10.0
91.05470	37.4
93.07050	47.0
95.04967	56.7
95.08611	39.4
97.06541	5.4
97.10164	11.8
103.05444	2.9
105.07025	26.5
107.04955	13.3
107.08589	30.7
109.02873	8.3
109.06523	9.3
109.10160	19.5
111.08103	5.1
117.07003	15.8
119.08592	23.4
121.06485	8.9
121.10155	19.4
123.04431	63.9
123.11689	3.8
125.09631	7.3
128.06154	3.2
129.06998	9.8
131.08566	15.6
133.06496	4.4
133.10135	11.7
135.08064	8.0
135.11711	21.2
143.08514	7.7
145.10124	24.3
147.08067	7.6
147.11694	10.3
149.13289	5.2
153.09070	6.6
157.10104	6.7
159.11742	7.3
161.13289	2.8
163.11122	19.1
171.11693	8.5
173.09645	6.8
173.13249	6.0
175.14859	3.8
189.12791	8.9
191.10657	3.7
197.13171	3.3
207.13792	14.0
217.12274	12.4
235.13292	79.9
235.15594	5.8
236.13612	3.6
243.21086	3.3
253.14400	4.6
261.22186	10.9
309.16968	60.4
325.25375	3.7
335.25787	100.0
336.26151	5.1
455.88486	3.1
513.35461	3.3
551.36938	4.8
569.38403	78.4
569.47278	4.2
587.39429	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	587.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.28962	0.5
58.17061	0.6
59.31152	0.6
69.03412	2.6
70.06577	1.2
70.13712	2.2
72.08147	1.5
73.02894	0.6
81.03422	3.7
83.04919	0.6
85.02910	6.0
86.09697	1.2
87.00837	1.7
91.05458	0.6
97.02881	2.7
98.20785	0.6
99.04457	1.7
105.01881	1.4
109.02868	3.6
114.94457	0.6
127.03914	12.6
129.01855	0.6
135.04356	0.9
137.05974	4.4
145.02864	2.0
145.04961	2.6
147.02943	0.7
147.04277	0.9
159.02873	2.0
161.05917	0.7
163.03896	2.0
167.07034	0.6
172.05280	0.9
177.05493	2.0
183.04414	0.7
186.12366	0.7
187.07542	3.0
189.07030	2.1
190.07707	2.0
191.08571	1.5
193.53682	0.6
201.07001	1.1
202.07770	1.7
203.08485	1.0
206.07303	1.4
207.07971	2.1
214.11832	0.8
217.06461	1.6
218.07291	10.7
219.07909	3.0
229.06474	10.1
230.07301	3.3
231.04953	1.1
231.07994	1.4
233.05888	1.0
233.09528	3.0
234.06746	4.8
235.07526	6.5
243.08081	0.8
245.05934	2.9
246.06769	16.7
247.07561	5.7
248.08295	0.7
249.09091	7.9
250.09888	2.2
251.07056	2.4
257.06064	5.2
258.06744	3.1
259.07547	3.4
260.08441	1.4
261.09113	32.0
262.06390	3.4
262.09811	1.8
263.07080	7.7
265.08719	2.8
266.09256	0.8
273.05576	1.2
273.09229	0.9
274.06229	11.8
275.07083	5.8
277.08603	16.9
278.09311	9.6
279.06619	1.8
279.09894	0.7
288.07843	0.8
289.08591	30.0
290.09402	11.3
291.06537	3.6
291.09900	1.2
292.07352	1.6
292.10706	0.7
293.08218	1.1
293.11664	2.2
294.08841	7.4
303.10233	1.0
305.08093	1.0
306.08856	16.1
307.09689	3.1
309.11209	27.5
311.12479	0.7
321.11209	100.0
322.11545	1.1
339.12354	5.7
351.12271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55351	1.3
52.81458	1.2
55.05494	3.2
57.07074	2.3
59.01350	1.3
64.56927	1.6
67.05509	9.7
69.07067	12.8
79.05490	7.1
81.03412	1.7
81.07065	15.2
83.04990	1.9
83.08636	3.7
91.05473	10.9
93.07041	13.5
95.04973	1.6
95.08611	25.1
97.06554	2.6
105.07037	22.5
107.08594	13.2
109.06529	4.3
109.10156	18.9
109.95859	1.4
110.10477	2.0
117.06998	2.3
119.08593	36.8
121.06535	2.8
121.10174	10.3
123.08057	4.1
123.11713	6.5
131.08578	2.5
132.71021	1.4
133.10152	13.8
135.08054	1.6
135.11702	2.2
137.09631	6.5
139.68121	1.4
143.08635	2.3
145.10162	6.5
147.08116	1.7
147.11699	37.1
149.09622	1.6
149.13345	3.3
151.11211	2.9
153.05518	2.1
157.10201	3.5
159.11713	6.5
161.13237	7.8
163.11256	2.6
163.14893	1.8
165.12834	1.5
169.10185	2.2
173.13329	2.3
175.14861	2.2
178.13506	1.7
183.11847	1.3
187.14859	2.6
190.14999	1.7
191.14333	1.8
197.13225	1.6
201.16368	3.3
203.17967	54.1
221.19048	12.2
225.16565	2.0
261.11548	1.6
275.12808	13.3
285.18573	3.0
289.18109	3.5
313.18118	10.3
331.19058	100.0
332.19376	3.4
349.20114	50.1
354.18796	1.6
354.68591	1.4
569.38306	6.1
586.40485	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03415	0.8
69.03431	3.8
69.44760	0.4
70.67296	0.4
71.04993	0.9
71.57022	0.7
72.08134	0.8
73.02898	0.5
79.05512	0.4
81.03409	2.7
85.02901	7.5
86.09708	0.9
87.00827	2.1
89.03909	0.9
89.79800	0.4
91.05479	1.0
97.02901	2.4
99.04421	0.7
103.03946	0.5
105.01855	2.4
109.02870	3.8
117.03391	0.6
127.03908	10.1
131.04900	0.7
134.99634	0.5
135.04422	0.8
136.72365	0.4
137.05975	3.8
139.57669	0.4
145.02852	1.4
145.04921	1.6
147.04433	0.7
155.04927	1.2
159.02890	2.0
161.05937	0.6
163.03906	2.0
172.05171	0.6
177.05475	2.5
183.04373	0.6
186.61926	0.5
187.07600	2.1
189.06955	2.6
190.07771	1.9
191.08522	0.6
199.07443	0.5
201.06955	1.3
202.07748	1.5
203.08636	0.7
205.06573	0.9
206.07294	0.7
207.08043	2.3
217.06522	3.3
218.07297	9.4
219.08018	2.8
221.09544	0.7
229.06485	7.6
230.07175	2.4
231.04988	1.4
231.08009	1.3
232.08952	0.7
233.09610	2.5
234.06726	5.0
235.07521	6.7
243.08060	0.6
245.06004	2.0
246.06757	16.2
247.07500	4.6
248.08374	1.0
249.09085	6.3
250.09894	1.9
251.07022	1.8
257.05988	4.8
258.06741	2.5
259.07468	2.6
260.08386	0.5
261.09106	31.5
262.06229	3.4
262.09879	1.8
263.07025	8.1
263.09695	0.8
264.07764	0.5
265.08566	1.8
266.09329	1.0
273.05420	1.9
273.09006	0.7
274.06223	10.3
275.07034	4.9
276.07974	0.9
277.08597	15.4
278.09360	9.7
279.06421	1.4
279.09811	0.9
288.07773	1.1
289.08572	27.8
290.09354	10.4
291.06503	4.2
291.10110	1.2
293.08026	1.1
293.11661	2.0
294.08859	7.0
295.09601	0.6
303.10153	0.6
305.08005	1.3
306.08862	16.6
307.09668	2.6
308.10306	0.5
309.11203	25.7
311.12695	0.8
319.09515	0.9
321.11197	100.0
322.11594	1.5
333.10977	0.8
339.12332	5.4
351.12326	0.9
363.12305	0.6
421.66791	0.4
513.17572	0.6
537.26685	0.5
550.46912	0.5
557.16193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.1
55.05498	3.2
56.93343	1.3
57.03413	1.4
66.17779	1.2
67.05502	6.9
68.63367	1.3
69.03435	6.6
69.07059	3.2
69.57492	8.5
69.92496	1.8
77.19612	1.3
79.05501	9.1
81.03419	8.3
81.07053	13.4
83.04959	2.9
83.08607	3.8
83.45904	1.2
85.02885	4.6
88.47483	1.1
91.05470	9.9
93.07044	5.7
95.04946	3.4
95.08610	13.5
97.02887	4.2
97.06533	3.1
99.04473	2.0
103.05477	4.2
105.07028	48.9
107.08598	2.9
108.04475	4.6
109.02866	3.6
109.06484	1.7
109.10153	2.1
115.03933	1.5
115.05461	9.1
118.04176	2.5
119.04979	1.7
119.08562	6.8
121.06470	1.7
127.03928	7.7
130.16481	1.6
133.06499	45.0
133.10127	3.7
135.11676	2.2
141.65207	1.2
144.81697	1.4
147.74762	1.4
151.07576	1.9
161.05978	100.0
161.13318	6.8
165.41194	1.4
167.08446	1.2
173.11589	1.4
179.14340	5.1
193.08607	97.8
200.11501	1.4
211.09636	2.7
233.15240	1.4
237.14824	3.6
256.18976	1.8
263.16238	1.4
287.16437	1.9
305.17450	8.6
323.18494	17.9
341.19550	5.9
363.99979	1.4
455.49289	1.5
475.27713	1.3
586.29938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03738	1.2
53.03948	14.1
55.01877	12.0
55.05505	5.0
57.03434	6.2
57.07051	1.6
61.02925	7.3
67.05499	13.0
68.99782	3.5
69.03077	2.2
69.03429	34.3
69.07070	6.9
71.04983	9.7
73.02623	1.1
73.02921	13.0
73.42424	1.2
79.05494	5.7
81.03417	42.0
81.07053	16.0
83.04954	2.0
83.08608	5.2
85.02905	100.0
87.00829	42.7
87.04453	2.4
91.03946	4.2
91.05482	6.3
93.07042	13.7
95.04958	4.7
95.08607	61.8
97.02893	68.7
97.06528	1.9
97.10164	3.7
99.04453	21.2
105.01871	42.5
105.07027	12.3
107.08584	25.3
107.22260	1.3
108.04445	2.3
109.02879	48.5
109.10157	28.4
111.04460	1.7
111.08010	1.4
115.03930	1.6
117.01859	7.1
117.07019	1.9
119.08585	23.7
119.09438	1.4
121.10144	22.0
123.08088	2.2
123.11736	8.0
125.05981	2.3
127.03918	91.7
127.07446	1.4
129.01840	4.8
131.08572	4.2
133.10141	19.8
135.11690	22.4
137.09618	2.1
137.13240	2.9
143.08568	1.6
145.04962	49.5
145.10123	10.7
147.02902	4.4
147.11700	15.1
149.13235	8.9
157.10136	3.5
159.02881	26.8
159.11655	10.1
161.13235	13.5
163.11201	1.9
163.14781	7.1
165.09135	1.6
171.11661	3.1
173.09633	2.3
173.13246	12.7
175.11191	4.0
175.14850	6.6
177.03908	1.5
179.10689	1.4
181.12221	2.3
183.11766	1.8
185.13280	3.1
187.14810	8.2
189.12724	2.0
189.16393	5.5
191.17953	3.6
193.12291	2.9
197.13263	2.0
199.14748	2.1
201.16335	7.4
203.14395	1.7
203.17944	20.6
207.13808	5.9
211.14771	2.8
213.03914	5.9
215.14378	1.8
215.17949	4.8
221.15381	3.5
225.16316	1.7
229.66296	1.6
230.06462	1.5
231.05019	18.3
233.15401	6.1
241.19421	1.9
243.20996	3.8
247.16954	3.7
248.07523	1.5
249.06131	2.6
257.22641	43.6
267.21051	9.0
285.22092	22.5
301.21509	3.4
303.23184	93.4
321.24228	5.6
327.22797	1.4
393.24042	3.4
497.24744	1.6
515.26202	3.1
533.27344	16.3
551.28015	2.7
587.20355	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	17.7
54.14676	5.0
55.01865	15.7
55.05507	9.9
57.03439	6.8
58.06338	4.7
65.67870	4.5
67.05502	12.7
69.03428	37.6
69.07060	5.9
71.04984	8.6
71.61929	8.6
73.02925	11.9
79.05508	5.8
81.03419	39.9
81.07040	14.6
83.08640	9.0
85.02422	8.8
85.02908	100.0
87.00828	45.8
93.07027	18.9
95.04963	7.6
95.08614	63.0
97.02899	66.3
99.04453	15.1
105.01897	43.3
105.07009	8.0
107.08598	23.8
109.02888	44.8
109.10168	26.7
114.75780	4.9
119.08582	25.7
121.10136	22.0
123.11690	14.5
127.03092	6.5
127.03933	86.6
129.01904	8.5
131.08644	5.6
133.10114	17.8
133.84898	5.4
135.11682	18.7
145.04979	48.3
145.10104	8.3
147.02916	8.8
147.11674	7.8
149.13258	11.8
159.02885	24.3
159.11685	11.7
161.13289	13.5
163.14828	8.0
173.13312	7.2
187.14923	10.1
189.16324	6.0
203.17921	27.7
207.13858	7.6
211.14944	6.8
213.03911	8.3
214.18015	19.8
218.87419	5.9
231.05061	24.2
233.15355	7.0
242.40543	4.7
257.22678	38.1
274.27472	8.0
285.12234	5.6
285.22159	23.9
301.08820	5.1
303.23206	96.4
321.24252	8.8
326.23444	7.4
533.27100	13.2
540.05963	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	586.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01863	2.2
61.02916	1.0
65.03949	2.6
67.05489	1.0
69.03428	1.7
69.07062	0.9
69.63768	5.9
70.06584	1.3
75.04484	4.3
78.04710	2.0
79.05492	2.7
79.45863	0.7
81.03415	0.9
85.02906	8.1
89.03941	0.9
89.06010	1.2
91.05482	13.7
93.03419	13.8
93.07044	6.5
95.04961	5.3
97.02889	5.3
97.06522	3.2
103.05479	6.8
105.03375	1.0
105.07046	5.1
106.03453	1.5
106.04179	30.7
107.04982	2.0
107.08583	1.4
109.06548	1.6
111.04498	0.8
115.05427	1.0
119.04956	2.4
121.06516	30.6
123.04387	1.5
125.06011	8.1
127.03925	13.7
131.04913	3.0
133.02853	4.8
133.06490	5.3
134.03621	4.6
137.05998	6.9
138.06743	1.5
139.07562	2.1
145.02859	1.4
145.04906	1.4
147.04443	2.6
148.05179	1.8
149.05995	51.4
150.06375	0.8
151.07553	3.4
153.05513	1.8
153.09114	12.5
161.06020	9.2
163.03914	1.1
163.07547	4.4
163.11252	0.8
165.05452	1.2
166.06236	1.5
167.06999	1.3
169.08649	2.3
177.05481	26.6
179.07004	2.0
181.08597	21.9
191.07030	13.0
193.08624	8.3
209.08104	100.0
227.12865	3.9
341.13876	1.5
365.80380	0.9
441.26532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01859	2.3
57.03431	0.6
58.60695	0.7
60.19057	0.6
65.03940	3.0
67.05499	1.5
69.03418	2.8
69.48925	5.8
75.04488	3.5
78.04700	2.0
79.05489	2.1
81.03400	0.9
81.07066	1.0
82.13416	0.7
85.02920	6.3
86.09682	1.0
89.03930	0.8
89.06022	1.4
91.04961	1.0
91.05492	11.6
93.03401	9.2
93.07046	6.3
95.04975	7.1
95.08614	1.1
97.02903	1.6
97.06532	2.7
98.35465	0.7
103.05472	12.1
104.10770	1.0
105.03402	0.7
105.04472	0.7
105.07021	3.2
106.03461	1.4
106.04179	29.6
107.04963	2.4
109.06496	1.1
111.04450	1.3
117.03381	1.7
119.04931	1.8
119.08592	0.8
121.06513	29.6
122.03670	1.4
122.07278	0.8
123.04456	1.6
123.08029	0.8
124.05206	1.5
125.05995	9.1
127.03906	1.6
131.04932	15.2
133.06516	2.1
134.03624	5.2
135.04410	1.0
137.05986	19.3
138.06815	1.6
139.07494	3.2
145.02841	2.1
147.04417	3.0
148.05186	2.9
149.05991	43.1
151.07552	2.8
151.08662	0.6
152.08261	0.9
153.05460	1.8
153.09108	12.8
161.06017	4.5
163.03850	0.8
163.07547	24.4
165.05498	1.1
165.09105	1.8
166.06248	1.4
167.07092	2.1
175.07562	1.0
176.08350	0.9
177.05487	22.7
179.07014	3.2
181.07068	1.3
181.08601	18.7
191.06966	2.3
193.08635	3.4
205.08687	1.6
209.08102	100.0
223.09583	1.4
241.09694	1.0
257.17447	1.1
275.18536	2.8
299.10254	1.0
339.12387	4.6
341.12738	0.9
355.15237	0.8
371.14954	2.0
373.17056	4.3
416.50031	0.7
586.30768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30875	2.7
53.03957	4.9
55.05507	16.8
57.07071	10.6
67.05502	33.4
69.03418	4.7
69.07075	23.5
69.56454	5.0
69.56857	21.3
74.44231	2.8
79.05489	23.9
81.07060	40.8
83.04968	5.3
83.08624	9.3
85.06542	3.8
87.61710	2.6
91.05483	41.8
93.07050	59.6
95.04984	15.2
95.08604	43.6
97.06515	6.0
103.05457	5.0
105.07031	73.2
107.08598	72.7
109.06538	13.5
109.10162	36.0
114.29105	3.2
115.05432	5.9
117.07021	12.3
119.08579	100.0
120.28599	3.4
121.06496	6.1
121.10152	55.4
123.08086	8.1
123.11712	16.0
128.06229	8.5
129.07010	14.6
130.07796	5.4
131.08569	41.5
133.10126	75.8
135.08073	9.2
135.11676	51.0
137.09622	7.8
137.13223	4.0
141.06984	5.6
142.07779	12.0
143.00786	3.0
143.08585	34.5
144.09349	5.4
145.10130	73.4
147.08060	5.2
147.11699	34.1
149.09647	10.9
149.13290	9.1
155.08592	10.0
156.09364	13.5
157.10133	44.9
157.46117	3.0
158.10963	7.5
159.08060	14.8
159.11691	36.7
161.09604	15.7
161.13258	8.8
163.11232	4.7
165.06918	3.2
165.58972	3.4
168.09331	3.8
169.10127	17.5
170.10918	7.4
171.11687	33.5
173.09627	7.8
173.13248	34.4
175.11185	3.8
175.14818	57.7
179.08554	4.6
180.09369	3.6
181.10133	9.6
182.10945	7.6
183.11740	19.2
185.09702	3.6
185.13228	22.1
187.11244	4.9
187.14847	26.9
189.12836	3.3
189.16373	4.3
191.14287	5.5
193.10052	8.0
193.15938	7.9
194.10954	6.0
195.11658	18.4
196.12532	5.5
197.13260	13.3
199.14864	12.3
201.12852	5.1
201.16402	19.6
206.10754	3.3
207.11801	7.4
208.12601	4.2
209.13278	15.8
211.14836	13.6
213.12781	9.3
213.16388	10.2
217.15894	3.8
219.17534	10.6
221.13287	10.4
222.14096	4.3
223.14822	12.3
225.16422	6.3
227.17812	3.6
231.17549	6.1
233.13225	6.2
234.14055	3.2
235.14886	6.7
236.15730	3.8
237.12674	4.5
237.16301	4.1
239.14410	8.4
239.17964	4.8
241.19443	4.6
245.13258	5.7
246.14098	4.2
247.14882	5.9
251.14336	4.4
251.17989	3.8
255.17201	3.6
257.19003	7.6
259.14853	4.4
259.20624	3.6
261.16510	4.6
265.19598	5.9
267.21094	7.8
269.19009	4.1
277.19415	4.4
279.20789	3.4
283.20581	9.7
285.22064	7.4
289.19852	3.9
361.25299	9.4
379.26395	4.1
423.31967	4.1
427.29636	3.7
493.35666	3.5
549.40942	9.2
567.41846	30.2
585.43109	31.7
610.37939	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	585.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.05504	12.0
57.07072	7.5
57.59348	3.6
61.56518	3.1
67.05512	23.4
69.03433	5.9
69.07057	16.4
71.60982	5.9
79.05507	29.2
81.07066	48.1
83.04971	3.5
83.08611	10.2
83.17685	3.5
85.06532	8.0
91.05491	34.7
93.07053	56.4
95.04964	12.3
95.08612	39.4
97.06520	5.9
103.05448	4.8
105.07040	82.0
107.08596	53.6
109.06523	56.3
109.10167	38.2
111.08074	4.7
112.20631	3.6
117.07014	21.6
119.07796	6.8
119.08591	100.0
120.12314	3.6
121.10142	47.7
123.08060	12.9
123.11715	14.4
128.06232	6.9
129.06985	11.9
130.07780	5.3
131.08589	40.9
133.10133	62.4
135.08072	21.8
135.11700	29.9
137.09654	7.6
142.07788	11.1
143.08578	31.2
144.09282	7.4
145.10127	80.6
147.08066	10.8
147.11723	26.2
149.09644	5.5
149.13206	5.6
155.08572	12.6
156.09343	8.7
157.10155	41.5
158.10921	8.6
159.11711	47.0
161.09587	6.6
161.13318	17.6
161.85643	3.7
165.06985	4.1
165.09114	6.6
167.08537	4.9
167.10698	12.8
168.09367	5.3
169.10135	21.9
170.10933	5.6
171.11668	27.6
173.13249	29.5
175.11131	5.7
175.14827	23.9
179.08580	4.1
181.10155	6.8
183.11694	19.4
185.13272	16.9
187.14821	13.4
191.14351	22.9
193.10052	4.8
194.10870	5.3
195.11693	14.0
196.12590	4.7
197.13292	17.4
199.14845	11.0
201.12817	6.3
201.16386	13.4
203.14320	10.5
207.11699	8.9
208.12524	4.1
209.13254	14.9
209.15356	9.5
210.13950	5.6
211.14844	17.2
213.12741	5.9
221.13280	5.1
221.15395	4.6
223.14806	15.8
225.16498	11.5
235.14832	6.7
236.84114	3.7
237.16394	8.9
239.18152	4.5
277.19678	4.0
299.19928	3.6
349.25336	7.4
363.26819	10.4
364.27667	12.5
410.06223	4.2
445.30060	4.6
567.41479	17.7
585.42828	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71484	3.9
67.05495	10.3
69.07063	7.0
70.06567	4.8
70.72416	6.4
70.72810	7.4
79.05465	3.9
81.07045	4.8
95.08585	8.3
103.51458	4.1
131.65987	4.1
249.10953	29.1
300.28845	6.3
311.29596	7.0
376.45691	4.8
383.60696	4.1
437.64459	4.3
584.56219	14.5
585.37537	100.0
585.46283	8.2
585.56042	21.2
614.03326	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	585.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.05515	1.7
57.07071	4.2
65.03942	0.4
67.05168	0.6
67.05505	7.6
69.03454	0.4
69.07067	9.2
70.06588	0.4
71.08626	0.9
71.59191	0.3
76.00814	0.3
79.05492	4.2
81.07056	100.0
83.08617	0.7
85.02919	0.5
91.05459	1.0
93.07041	2.5
95.04996	0.6
95.08607	43.7
97.02914	0.4
97.06521	0.4
98.98462	4.8
99.08092	5.0
104.63799	0.3
105.07030	1.0
107.08603	1.6
108.05737	0.8
109.10152	3.2
116.99468	0.3
119.08613	0.5
121.10136	0.9
123.04427	0.5
123.08070	11.3
123.11688	0.4
131.06372	0.3
133.10097	0.8
135.11682	3.0
137.05992	0.7
137.13252	74.0
138.13629	0.4
141.09137	1.0
147.04419	0.7
147.11636	1.0
151.03937	0.5
151.07512	0.5
153.12744	2.3
163.03825	0.4
167.07040	12.3
171.13789	1.0
181.03522	0.3
189.14691	0.7
193.08508	0.5
193.12253	0.9
211.09735	0.5
211.13344	2.5
235.10939	8.5
333.20786	0.6
351.21646	2.9
357.13275	0.3
572.00238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.5
63.41676	1.2
67.05495	3.1
67.98987	1.2
68.99763	1.2
69.07063	2.0
71.60342	2.1
77.47883	1.0
79.05482	3.1
81.07038	4.3
83.04988	7.1
91.05469	4.4
93.07033	4.0
95.04933	2.5
95.08614	3.5
105.07023	5.0
107.08579	5.2
109.02872	4.5
109.10160	3.1
111.04434	3.6
117.07029	1.9
119.08561	6.0
121.10140	3.9
123.04420	3.4
127.03912	9.8
129.06995	1.5
131.08559	1.9
131.34612	1.2
133.10104	5.3
135.08139	2.1
135.11687	2.3
139.03871	5.1
141.05437	2.8
142.07721	2.0
143.08545	3.4
145.10124	4.6
147.11642	2.7
155.03389	30.4
155.08562	3.1
156.09361	1.4
157.10118	6.1
158.10838	1.3
159.11694	6.7
161.09601	2.4
161.13289	2.0
167.08598	1.6
169.04968	11.0
169.10138	3.7
170.05748	100.0
171.06516	4.8
171.11688	5.8
171.51703	1.1
173.09625	1.7
173.13246	3.6
175.11250	1.4
175.14877	1.4
177.12704	1.2
178.71808	1.2
181.10118	1.7
183.06551	16.0
183.11751	2.0
185.13248	2.8
187.11201	1.3
187.14836	2.2
194.70818	1.3
195.11771	1.5
197.13202	3.2
199.11197	1.9
199.14806	1.5
205.12296	1.2
205.15846	1.6
209.04454	3.5
209.13266	2.9
211.14735	2.4
213.16431	2.0
217.12259	1.2
224.24982	1.2
227.17967	2.9
237.16284	1.5
239.17911	1.5
241.19637	1.4
245.91159	1.2
251.17892	2.0
255.13589	1.2
255.17467	6.0
263.09235	2.3
264.89856	1.1
265.07043	1.2
265.78891	1.1
269.19049	2.3
273.18497	2.6
279.17441	2.1
287.20038	2.6
297.18494	9.1
315.19543	3.3
425.23346	1.6
439.24625	2.1
449.23056	1.6
467.24384	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16658	0.6
53.03942	0.8
55.05511	8.4
65.03912	0.8
67.05488	2.9
68.99755	0.7
69.07051	1.2
69.59317	0.6
70.12447	3.0
79.05474	1.8
81.03422	1.0
81.07045	2.3
83.04985	7.1
91.05469	2.9
91.59440	0.7
93.07072	4.3
94.04196	0.6
95.04957	1.7
95.08617	3.6
97.06538	1.0
105.07037	5.2
107.08587	4.6
109.02865	2.5
109.06493	1.5
109.10152	3.2
111.04459	3.2
112.01544	0.8
117.06973	1.3
119.08574	6.6
121.06488	0.9
121.10138	4.1
123.04408	3.6
123.08113	0.8
126.03108	0.8
127.03909	9.1
128.06235	1.0
129.07019	1.1
131.07597	0.8
131.08524	3.1
133.06494	1.1
133.10114	3.7
135.08049	2.2
135.11653	1.0
139.03925	4.9
140.04642	1.2
141.05446	2.5
141.06995	0.8
142.07791	1.7
143.08560	3.9
145.10114	3.7
147.07928	1.0
147.11693	2.5
147.86035	0.7
149.13181	0.8
155.03392	30.8
155.08536	2.2
156.09360	1.0
157.10168	3.5
159.11682	4.3
161.09576	1.4
161.13258	2.0
163.07443	0.7
163.14801	1.1
167.08447	1.0
168.04121	0.9
169.04956	8.8
169.10101	3.2
170.05737	100.0
171.06505	5.4
171.07875	1.0
171.11646	3.9
173.13316	3.4
175.11162	1.3
175.14865	2.2
177.05460	1.0
179.08423	0.8
181.10013	1.0
183.06516	13.0
183.08051	1.2
183.11740	2.1
185.09598	1.2
185.13228	2.7
187.11168	1.0
187.14801	1.8
189.09045	0.8
189.16330	1.1
191.06937	0.8
195.11700	2.3
197.04480	1.3
197.13197	2.5
199.11139	1.8
199.14827	1.4
205.15909	1.0
209.04492	3.2
209.13287	1.6
211.14827	2.3
213.12674	1.1
213.16362	1.1
217.12274	1.1
217.15863	1.0
221.08098	2.2
223.14909	0.8
225.12720	1.0
227.17932	3.1
229.12381	0.7
237.07539	1.2
237.12675	1.0
237.16386	2.1
239.14261	1.1
241.12119	1.2
251.17935	1.6
253.15929	1.0
255.17487	4.5
263.09143	0.8
267.71750	0.7
269.18924	2.8
271.16983	1.4
273.18491	3.1
275.20276	0.7
279.17477	1.8
287.19946	1.6
297.18481	11.4
315.19467	4.2
317.21024	1.0
410.62695	0.7
425.22925	1.0
439.24655	2.8
467.24506	3.2
485.25473	1.0
493.24402	0.7
543.72345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91698	0.5
53.03939	1.1
55.01855	0.7
55.05507	8.8
55.44359	0.6
61.25252	0.6
67.05508	3.2
68.99794	0.6
69.03436	0.6
69.07054	3.1
71.33616	1.7
79.05489	2.2
81.03438	1.1
81.07040	3.3
83.04979	9.0
83.08630	0.7
85.06538	1.2
91.05484	3.6
93.07053	3.9
95.04964	2.2
95.08605	4.4
97.06502	1.0
105.07030	7.8
107.04961	1.4
107.08591	4.8
109.02865	2.6
109.06536	1.1
109.10148	3.1
111.04433	5.4
111.08073	1.6
115.05453	0.7
117.07001	2.1
119.08575	9.7
121.06482	1.4
121.10130	4.9
122.03619	0.8
123.04429	5.3
123.08040	1.5
123.11748	0.7
127.03912	8.5
128.06216	0.8
129.07001	1.9
129.19530	0.6
131.08557	4.3
133.06497	1.4
133.10141	4.7
135.04419	0.7
135.08025	2.9
135.11650	1.7
139.03903	6.1
140.04677	1.9
141.05466	2.0
141.07007	0.8
142.07750	1.3
143.08553	2.8
145.10126	5.3
147.08078	1.1
147.11693	3.5
149.09529	1.1
149.13217	1.7
153.05446	1.2
155.03389	27.0
155.08542	2.4
156.09294	1.7
157.10121	5.8
159.08017	1.3
159.11662	6.2
161.09631	1.7
161.13272	2.9
163.07457	0.7
163.14832	1.4
167.07207	0.9
167.08569	1.3
169.04967	8.6
169.10127	3.2
170.05739	100.0
171.06516	6.4
171.11702	6.5
173.09637	1.2
173.13292	4.3
175.11176	2.6
175.14812	2.7
177.12827	0.9
180.09349	0.9
181.04970	0.8
181.10088	2.3
183.06523	21.8
183.08046	1.4
183.11667	2.4
184.12622	0.7
185.09589	1.6
185.13261	2.5
187.07521	0.7
187.11116	1.6
187.14832	2.3
189.16350	1.7
195.11670	2.3
197.04517	1.5
197.09639	0.8
197.13251	2.6
199.11195	1.0
199.14784	2.6
203.10776	0.7
203.14279	1.5
205.15880	2.5
207.06535	1.0
209.04497	3.3
209.13246	1.8
211.14828	2.6
213.12746	1.5
213.16371	2.1
215.17894	0.8
217.15848	2.0
221.08040	2.5
221.13326	1.2
225.16261	1.0
227.17967	1.9
231.13893	1.1
237.16373	2.0
241.12245	1.0
241.19531	0.9
247.06169	1.0
248.09160	0.9
249.07602	1.1
251.17953	2.4
255.13928	0.9
255.17453	5.9
263.09116	2.0
265.07129	1.3
269.18936	3.7
271.16962	0.8
273.18427	2.1
279.17407	2.4
287.20108	1.5
297.18423	10.5
299.20209	1.0
315.19608	4.9
317.21173	0.9
331.77625	0.7
421.23846	0.8
425.23380	0.8
439.24850	3.7
449.23514	1.5
467.24304	5.6
485.25528	2.1
518.50775	0.7
585.17407	1.6
585.32330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.3
57.03413	1.0
60.42939	0.8
62.35275	0.7
65.03938	1.2
67.05482	2.9
68.51846	0.7
68.99795	1.2
69.03407	1.3
69.07057	1.2
71.33399	1.1
71.33727	1.0
79.05476	3.4
81.03420	0.9
81.07039	3.4
83.04978	6.7
83.08611	1.3
85.06538	0.8
91.05479	5.2
93.07053	5.6
95.04957	2.2
95.08616	5.9
97.06513	1.4
105.06992	6.0
105.93960	0.8
107.04951	1.3
107.08584	5.0
107.91845	0.7
108.11822	0.8
109.02867	2.3
109.06516	1.6
109.10146	2.5
111.04427	4.6
111.08065	1.7
117.07005	2.0
119.08569	6.9
121.06528	0.9
121.10126	5.2
123.04440	4.9
123.07998	0.9
123.11724	1.0
124.99995	0.8
127.03896	9.6
128.06206	0.9
129.07008	1.9
131.08574	3.7
133.06418	1.0
133.10150	6.6
135.08054	3.6
135.11693	2.1
137.05890	0.8
139.03906	5.5
140.04695	1.4
141.05446	3.3
142.07762	1.7
143.08539	4.3
145.06441	1.1
145.10123	4.9
147.11676	2.0
149.05873	1.0
149.09602	0.9
153.05507	1.0
155.03387	28.0
155.08566	3.0
156.09283	2.0
157.10101	5.0
159.08064	1.2
159.11696	6.6
161.09610	1.2
161.13252	2.9
163.03928	1.5
163.11197	1.4
163.14825	1.8
168.09349	0.9
169.04987	10.5
169.10156	3.1
170.05736	100.0
171.06517	5.7
171.11707	4.5
173.09561	1.9
173.13280	3.7
175.07425	0.9
175.11131	1.8
175.14827	2.6
177.09135	0.9
177.16360	1.0
179.14455	0.9
181.10147	1.8
183.06529	19.9
183.08044	1.1
183.11633	2.9
184.07236	1.4
185.09694	1.3
185.13239	2.9
187.11169	1.3
187.14818	2.8
189.16284	1.6
195.11737	2.1
197.13245	2.3
199.11176	2.5
199.14865	1.8
201.12680	1.2
203.10690	1.6
203.14352	2.0
205.15880	2.0
207.11658	1.0
209.04449	4.4
209.13226	2.4
211.14822	2.8
213.12674	1.6
213.16432	1.6
215.10721	0.9
217.12288	2.1
217.15898	1.0
221.08138	1.5
225.16322	1.3
227.17902	2.5
231.13962	0.8
237.07710	0.9
237.12726	1.1
237.16364	1.5
238.63513	0.8
241.12222	1.3
241.19482	1.4
251.17979	1.4
255.17502	4.7
257.15564	0.9
263.09171	2.1
265.06931	1.3
269.18973	3.7
271.16772	0.9
273.18436	2.4
279.17438	1.4
287.16711	0.9
287.20120	2.2
297.18454	11.3
315.19525	5.7
425.23126	0.9
439.24661	3.9
467.24060	4.7
470.98962	1.1
485.25183	1.2
582.23804	0.8
585.32294	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	585.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19397	0.4
53.03943	1.0
55.05505	1.9
57.07075	4.8
59.05013	0.7
60.84101	0.4
65.13653	0.3
67.05502	9.7
69.03425	0.7
69.07067	13.6
70.06577	0.6
71.04990	0.6
71.08631	1.0
71.59487	0.6
79.05493	6.7
81.03421	0.6
81.07056	100.0
82.07365	0.4
83.08611	1.0
85.02908	1.6
91.05478	1.4
93.07047	6.9
95.04932	0.6
95.08605	49.1
97.02884	0.6
97.06510	1.0
98.98470	4.8
99.08101	0.5
105.07034	1.0
107.08595	7.1
109.10154	8.9
111.04328	0.4
111.08099	0.4
119.08571	0.5
123.08083	1.0
123.11716	2.1
125.13267	0.7
135.11696	12.9
137.05969	0.9
137.13252	64.0
151.71182	0.4
153.12743	14.7
163.03899	0.7
167.07048	7.2
171.13795	4.8
177.05531	0.5
182.56581	0.4
189.14877	4.6
235.10951	12.7
317.04422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.05507	13.5
57.07065	4.8
67.05494	21.5
69.03407	5.7
69.07059	12.2
69.98840	4.3
71.04999	5.9
71.22374	5.1
71.22712	9.7
79.05502	26.8
79.40351	4.4
80.06277	10.6
81.07062	43.5
83.04984	5.4
85.65353	4.5
89.06032	6.5
91.05476	53.3
93.07040	52.6
95.04954	32.7
95.08604	25.3
97.06544	7.0
103.05468	5.1
105.06314	5.7
105.07030	92.5
107.08582	44.0
109.06499	15.6
109.10162	25.6
115.05415	5.9
117.07039	28.4
119.08579	79.9
121.10152	31.7
123.08060	45.6
125.09590	8.7
128.06206	10.0
129.06996	20.5
130.07764	10.7
131.08549	43.2
132.09341	12.6
133.10121	45.2
135.08080	7.4
135.11707	8.7
137.09630	10.2
138.10406	9.1
141.06975	6.0
142.07784	22.6
143.08551	53.9
144.09351	12.2
145.06335	5.2
145.09027	8.6
145.10123	100.0
145.11253	5.6
147.08093	9.7
147.11722	25.5
149.09584	8.5
155.08530	15.0
155.10655	7.8
156.09341	13.4
157.10121	69.0
158.10922	19.8
159.08070	7.9
159.11684	47.0
161.09544	9.6
161.13243	7.5
163.11113	6.1
165.07033	5.8
165.09055	10.1
167.08533	8.8
168.09303	6.3
169.10110	30.3
170.10945	10.2
171.11656	33.2
173.13264	19.6
175.11192	9.7
175.14774	6.5
179.08577	9.1
181.10123	17.1
182.10954	10.0
182.44342	5.4
183.11703	30.5
185.13245	28.0
187.14716	8.7
189.12732	7.7
191.14359	8.1
193.10126	11.0
194.11000	5.8
195.11684	21.2
196.12405	5.6
197.13203	25.6
199.14804	19.0
201.16476	4.8
207.11700	16.3
207.13560	5.9
208.12431	8.4
209.13274	14.1
211.14850	14.3
213.12894	5.4
213.16394	15.6
217.10086	6.5
221.13408	7.7
221.15382	22.0
223.14777	16.7
224.15697	5.2
225.16345	10.6
233.13290	7.0
235.14760	9.6
237.16382	7.7
239.18016	6.9
247.14929	7.8
259.17065	8.3
271.17346	5.0
274.19275	8.3
300.28964	5.9
311.29578	8.3
352.24011	16.9
354.09906	4.7
355.18658	5.2
415.96979	5.1
446.31845	15.4
504.35858	36.6
584.42535	29.1
584.55804	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	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	8.4
60.04504	4.0
67.05494	11.4
69.07054	6.6
69.47775	37.2
79.05482	11.1
79.85364	3.7
80.06281	5.2
81.07046	17.4
85.33656	3.6
86.58201	4.0
89.06002	6.9
91.05481	17.6
93.07041	26.9
95.04974	11.2
95.08609	13.6
105.07040	42.3
107.08592	18.5
109.10153	12.3
114.70690	4.3
117.07018	13.9
119.08592	34.7
121.06548	4.5
121.10115	16.6
123.08049	20.4
129.07004	11.1
131.08588	22.8
132.09319	5.0
133.10133	25.3
135.08047	11.5
137.09595	7.4
138.10335	5.5
142.07747	9.0
143.08553	27.0
144.09319	6.4
145.10136	51.4
147.08037	15.1
149.09613	5.8
151.07573	8.9
151.11147	4.2
155.08554	6.4
157.10139	35.5
158.10988	5.6
159.11682	16.1
161.09557	11.7
163.11176	5.3
165.09106	18.5
166.07603	4.8
169.10146	10.5
170.10837	5.3
171.11676	16.5
172.12538	4.0
173.09714	5.2
173.13275	12.3
175.11180	11.5
181.10117	6.3
181.12320	6.4
183.11745	13.3
185.13260	7.4
189.12686	4.9
190.13565	5.1
193.12280	5.4
195.11726	6.1
196.12428	5.0
203.14287	10.7
207.13744	4.7
208.14563	4.4
209.13266	6.9
211.11168	4.8
211.14905	5.7
221.15343	30.1
223.14955	6.0
234.16098	7.2
237.16223	4.5
247.16882	7.8
256.26529	4.4
259.16980	7.5
274.19247	9.7
283.26279	4.5
287.19998	6.8
291.20584	4.7
299.19962	7.0
300.20844	8.4
300.28943	6.0
311.29459	9.3
325.21762	7.7
337.21442	6.0
352.23895	53.8
365.24750	13.1
366.25574	7.5
404.30670	4.7
446.31976	7.6
491.35406	5.4
492.35532	6.4
504.35886	100.0
505.36044	7.6
584.41748	15.8
584.55786	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	8.1
67.05499	8.4
69.07056	6.8
69.47337	3.9
69.47638	40.1
70.06590	4.8
71.08629	4.8
79.05490	12.1
81.07050	20.2
89.06026	4.6
91.05471	15.9
93.07037	19.2
95.04952	9.0
95.08598	18.5
99.84882	3.9
105.07043	28.3
107.08574	17.8
109.10138	6.6
117.07008	11.8
119.08575	37.2
121.10131	11.6
123.08049	9.0
129.06970	5.1
130.07771	4.5
131.08545	21.5
132.09322	9.6
133.08575	6.1
133.10126	13.5
135.08064	8.8
135.11626	7.2
137.09509	4.9
142.07745	7.3
143.08539	12.7
144.09322	8.0
145.06465	5.0
145.10129	36.7
147.08061	11.5
149.09615	5.8
151.07497	6.1
155.08501	7.0
156.09280	6.1
157.10114	29.8
158.10916	11.9
159.11687	16.7
161.09613	5.6
163.11142	8.8
165.09154	21.6
169.10162	12.4
171.11705	15.7
175.11153	8.2
181.12167	4.7
183.11739	9.4
185.13168	5.2
189.12718	4.1
190.13551	4.5
193.12425	4.7
195.11632	6.1
197.13106	5.2
203.14349	14.1
211.14789	4.7
221.13339	8.7
221.15363	46.6
256.26489	5.6
259.16919	5.7
274.19290	9.7
287.19989	9.3
300.20880	10.3
300.28912	5.1
311.29456	15.3
325.21628	9.0
337.21582	6.1
340.26941	4.3
352.23959	51.3
365.24728	12.9
366.25577	11.8
410.18372	4.5
438.30893	5.8
446.31042	5.6
491.35052	11.7
492.35413	10.3
504.35953	100.0
566.47809	11.0
584.42072	22.4
584.55945	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	584.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.05516	6.7
57.03433	1.8
57.07067	1.3
65.03924	1.2
67.05506	14.1
69.03429	4.2
69.07079	6.9
70.90917	2.7
71.04993	4.1
73.02921	2.0
79.05496	7.5
81.03429	5.6
81.07062	18.4
83.04966	4.7
83.08610	3.0
84.16025	1.0
85.02911	14.6
86.03218	1.2
87.00828	4.7
91.05482	7.0
93.07052	18.5
95.04954	2.4
95.08609	56.9
97.02908	7.0
97.06503	1.1
97.10161	4.3
99.04454	3.0
105.01881	9.8
105.07026	16.3
107.04945	4.0
107.08593	23.5
109.02882	8.9
109.06525	2.3
109.09451	1.9
109.10156	23.7
111.04445	15.0
112.04754	1.2
117.07020	3.0
117.92200	1.1
119.08579	18.4
121.06490	1.8
121.10149	25.5
123.08049	1.3
123.11708	10.1
125.05981	3.4
127.03926	16.4
128.04283	1.2
129.06989	1.5
131.08589	5.4
133.06479	1.2
133.10130	14.0
135.08011	1.5
135.11685	14.9
137.06000	3.0
137.09561	1.1
138.13446	1.1
139.07506	1.4
143.08554	3.8
145.04965	2.9
145.10123	11.1
147.04401	2.0
147.08037	1.2
147.11699	8.4
149.06007	1.7
149.13258	7.3
149.73106	1.0
151.07587	2.9
156.09247	2.0
157.05051	1.5
157.06445	1.0
157.10155	6.6
159.02864	1.5
159.11699	9.3
161.09584	2.9
161.13249	8.6
163.07605	0.9
163.14870	5.0
165.09122	1.8
169.10109	3.3
171.08026	1.9
171.11702	5.8
173.09647	3.4
173.13286	6.4
175.14809	4.1
177.16435	1.4
179.10623	3.3
183.11736	1.9
184.07303	2.0
185.09669	1.9
185.13223	6.1
187.11217	7.1
187.14806	4.2
191.10669	5.9
191.17915	2.7
193.12192	2.1
197.13252	1.3
199.11189	2.4
199.14809	4.2
201.12723	4.8
201.16394	3.5
203.10692	3.7
203.17938	6.2
205.12253	10.8
207.13777	1.6
209.13301	1.4
213.03899	2.7
213.12752	3.3
213.16309	1.1
217.12274	3.8
219.13818	9.3
221.15262	1.3
227.14311	3.1
231.04990	6.3
231.13805	8.3
233.15395	1.3
239.09102	1.2
239.17943	2.4
241.19582	2.8
245.15405	3.9
245.22766	1.3
249.06044	2.0
255.21126	5.1
257.22699	1.5
259.16980	3.0
265.19434	2.0
273.22314	1.7
283.20627	9.8
301.21625	100.0
302.21906	2.9
319.22690	15.6
325.21664	1.6
342.24380	2.0
343.22681	2.4
391.22586	2.7
409.23816	5.3
427.24896	1.1
495.23398	1.2
513.24500	2.4
549.26837	2.2
584.31299	9.5
585.27271	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92999	1.3
53.03942	1.8
55.05520	9.3
57.07064	1.2
67.05516	9.8
69.03441	6.1
69.07078	5.0
71.04991	1.9
71.60255	2.3
72.69476	1.3
77.17701	1.1
79.05489	6.4
81.03429	5.3
81.07068	11.4
83.04970	3.7
83.08624	4.4
85.02912	7.3
87.00808	2.0
91.05483	7.4
93.07043	13.7
95.04984	2.2
95.08607	47.1
97.02895	9.5
97.06520	2.4
97.10188	3.6
98.31219	1.2
99.04494	1.9
105.07018	10.6
106.78587	1.5
107.04963	2.3
107.08591	15.8
109.02911	3.0
109.10172	14.1
111.04447	6.0
117.07031	3.1
119.08588	14.0
119.96635	1.2
121.06478	2.1
121.10151	15.7
121.49592	1.3
123.11708	5.7
125.06064	3.3
127.03918	9.5
131.08569	5.2
133.06480	1.4
133.10115	12.4
135.11725	11.4
137.05994	3.1
139.07590	2.0
143.08530	3.6
145.04987	3.0
145.10117	9.4
147.04355	2.3
147.11694	8.0
149.13240	3.7
151.07555	2.0
156.09378	1.4
157.10168	5.2
159.08145	1.2
159.11687	9.1
161.09602	2.0
161.13268	6.0
163.14838	2.2
165.09055	1.9
167.07056	1.3
169.10149	3.4
171.11682	4.7
173.09654	3.4
173.13260	4.8
175.11154	2.1
175.14862	3.8
177.16428	1.9
179.10687	2.9
183.11658	1.6
185.09630	2.3
185.13239	6.3
187.11217	5.9
187.14857	3.9
191.10655	3.9
193.12395	1.6
199.11203	3.1
199.14857	3.4
201.12941	3.4
201.16394	3.7
203.18076	6.9
205.12247	9.1
207.13806	1.8
213.03886	2.0
213.12778	5.2
213.16342	1.6
217.12221	3.7
221.15546	1.3
231.05106	4.8
231.13914	7.9
239.17969	2.9
241.19447	3.2
245.15326	4.6
249.06038	1.7
255.21133	6.1
273.22040	2.3
283.20477	7.6
287.19928	1.5
301.21628	100.0
302.21988	2.1
319.22772	6.1
584.31055	2.1
585.17450	2.3
598.60486	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.8
56.05037	14.1
57.03423	2.0
57.07075	1.4
65.95012	0.9
67.05515	3.0
69.03432	1.0
69.07066	3.4
70.06588	1.0
71.59496	1.3
74.06082	100.0
74.09720	21.1
79.05488	1.8
81.07059	29.0
82.07402	6.3
85.02899	1.0
86.09738	0.9
86.19739	0.7
91.05423	0.9
93.07056	1.0
95.08602	13.2
96.08955	4.5
96.94930	0.7
97.02889	1.1
98.98453	2.0
105.07041	2.1
107.08560	1.4
109.10133	1.4
119.08580	2.6
125.09639	8.3
127.03940	1.0
133.10138	1.6
137.05968	1.2
137.09592	1.1
137.13261	16.2
137.14258	1.5
138.13591	8.6
145.10062	1.2
151.11172	0.9
165.09105	1.6
167.07051	1.5
179.10703	1.1
189.09068	1.4
198.37939	0.9
225.11223	2.4
235.10909	1.0
236.11243	0.8
349.20242	6.6
350.20551	1.0
559.74377	0.8
576.50769	1.1
584.21381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2755
Annotation	N1,N5,N10-Tricoumaroyl spermidine
Peak:m/z	Relative Intensity
55.05492	0.2
58.06592	0.5
60.79861	0.2
65.03935	1.0
65.82917	0.2
67.05484	0.2
70.06585	0.3
70.07414	1.3
71.45987	0.2
72.08159	6.4
81.03371	0.3
81.07041	0.3
84.08131	0.9
85.02908	0.4
91.05482	7.4
92.05820	0.3
93.07020	0.3
95.08617	0.3
97.02914	0.3
107.08599	0.3
111.04489	0.3
112.11246	3.5
115.51254	0.2
119.04942	19.6
119.08565	0.3
120.05283	0.3
127.03909	0.4
129.13873	1.9
129.83235	0.2
146.16524	0.7
147.04407	100.0
148.04758	0.8
148.79094	0.3
149.48827	0.2
151.03917	0.3
153.05476	0.7
154.05698	0.2
154.77260	0.3
155.11833	1.4
172.14497	0.5
179.46838	0.2
180.23833	0.2
203.11790	3.5
204.10202	46.1
205.08607	0.3
205.10493	0.6
217.13359	2.1
218.11775	5.8
221.12877	0.9
247.14592	0.3
274.19174	0.9
275.17520	10.8
292.20175	9.8
318.18158	1.0
326.11078	0.7
358.13440	0.3
420.22818	27.4
421.21182	2.0
438.23877	64.3
439.24210	1.2
464.21735	0.5
584.27625	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	584.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84694	0.3
52.92432	0.2
55.05503	0.4
58.06590	1.1
65.03921	0.8
66.28100	0.3
67.05502	0.4
67.41086	0.3
69.03425	0.6
69.07053	0.5
70.06586	0.9
71.59323	0.4
72.08157	9.7
75.09226	0.9
79.05482	0.4
81.03425	0.5
81.07036	1.1
83.08593	0.4
84.08137	1.5
85.02901	0.5
89.03922	0.4
91.05482	8.5
92.05832	0.4
93.07024	0.7
95.04971	0.6
95.08631	0.6
97.02898	0.7
99.08102	1.7
100.08405	0.5
102.99989	0.3
105.07037	0.9
107.08572	1.7
108.08884	0.4
109.02871	0.4
109.10159	0.5
111.04452	0.3
112.11238	5.4
119.04943	21.9
119.08540	1.0
120.08937	0.3
121.10153	0.6
125.09610	2.1
126.09942	0.6
127.03861	0.7
129.13881	3.5
131.04915	0.5
133.10104	0.3
134.10500	0.4
135.04382	0.3
137.05988	0.7
145.04846	0.3
146.16484	1.9
147.04404	100.0
148.04733	1.4
155.11784	1.6
163.03891	1.0
167.07088	0.8
172.14397	0.5
184.07367	0.4
203.11800	2.0
204.10201	37.1
205.10561	0.7
211.13297	0.9
218.11740	4.0
221.12859	1.0
274.19037	0.6
275.17520	15.4
276.17856	0.4
283.26379	0.6
292.20172	11.7
293.20584	0.3
318.18152	1.1
318.21307	0.6
335.22159	0.4
420.22815	12.0
421.21329	1.5
438.23880	71.0
439.24261	2.7
528.15948	0.3
584.27307	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27362	2.0
53.03945	5.9
55.05516	19.9
57.07069	9.6
59.04992	4.9
65.03953	5.6
67.05508	26.6
69.03431	7.3
69.07068	20.2
71.25736	2.2
77.03916	3.4
79.05493	30.0
81.07061	41.2
83.04991	9.4
83.08614	10.5
85.06540	7.9
89.06054	2.5
91.05485	52.3
93.07049	67.9
95.04963	12.6
95.08614	39.5
97.06553	7.9
97.10169	2.8
99.69271	2.1
103.05453	5.0
105.07031	80.5
106.07292	2.2
107.04964	4.1
107.08601	56.9
109.06533	10.0
109.10157	29.7
111.08095	4.3
111.11765	2.8
115.05472	5.5
117.07040	17.7
119.04945	2.0
119.08584	100.0
121.06558	3.3
121.10150	71.8
123.08051	13.8
123.11706	6.8
125.05965	3.5
125.09619	4.0
128.06198	10.6
129.07008	20.7
130.07826	7.3
130.69485	2.0
131.07596	2.9
131.08571	44.3
133.06549	3.2
133.10135	56.7
135.08099	10.0
135.11688	20.7
137.09633	14.0
139.11195	7.0
141.06996	10.3
142.07784	23.3
143.08562	43.8
144.09308	7.5
145.06471	2.6
145.10120	63.9
147.08107	10.7
147.11703	20.3
149.09608	10.6
149.13292	3.5
151.07584	9.3
151.11214	3.3
153.06981	4.5
154.07835	3.8
155.08540	19.8
156.09358	21.8
157.10132	57.9
158.10953	10.5
159.08081	9.1
159.11702	31.2
160.12297	2.3
161.09679	6.7
161.13272	11.3
163.11211	7.8
163.14709	2.8
165.06993	9.9
165.09113	14.7
166.07811	2.6
167.08586	9.0
167.10681	48.3
168.09367	8.7
169.10143	34.2
170.10938	10.5
171.11693	35.7
172.12436	4.4
173.09668	2.9
173.13255	32.8
175.11281	8.8
175.14850	14.5
179.08531	14.4
180.09329	7.8
181.10097	18.4
181.12277	5.4
182.10941	10.8
183.11671	29.2
184.12378	9.7
185.13257	18.9
186.24171	2.5
187.11247	3.4
187.14784	11.5
189.12773	5.8
191.08598	2.3
191.14336	8.2
192.09332	5.4
193.10158	15.8
194.10980	9.3
195.11703	27.9
196.12523	7.3
197.09636	3.7
197.13289	28.9
198.13870	2.8
199.11250	2.9
199.14815	17.8
201.12798	3.0
201.16464	6.0
203.14342	9.2
205.10202	4.4
205.16006	2.5
206.10977	8.0
207.11763	20.1
207.13760	4.7
208.12471	9.4
209.13271	30.6
209.15114	3.3
210.14113	5.7
211.14862	16.8
213.12733	2.9
213.16385	5.0
215.14291	6.2
217.10205	4.7
217.15865	17.5
218.10925	3.4
219.11671	10.2
220.12569	8.1
221.13275	15.3
221.15451	24.8
222.14020	5.0
223.14810	18.0
224.15660	3.0
225.12891	3.4
225.16451	6.5
227.14450	3.0
231.11792	7.4
232.12508	5.6
233.13281	12.1
233.15460	13.1
234.13963	2.9
235.14845	13.3
237.16502	8.9
238.17004	2.9
239.18051	5.4
241.19653	2.3
243.11790	4.3
244.12558	2.9
245.13248	10.3
246.14090	5.8
247.14795	12.2
248.15620	3.3
249.16400	11.9
250.17149	2.7
251.18018	6.5
257.13281	3.5
257.19043	8.4
258.14151	2.9
259.14948	8.2
260.15863	2.4
261.16370	10.6
263.17966	8.7
265.19540	8.8
269.19009	5.5
271.14835	4.3
271.20648	2.4
273.16425	7.2
274.17239	3.1
275.17935	11.3
277.19522	4.9
281.18964	2.8
283.20541	17.5
288.18481	2.4
289.19641	5.5
291.21088	2.7
293.18930	2.8
295.20621	2.9
297.16351	2.1
297.21878	2.6
301.19528	3.3
313.19107	2.6
317.22479	2.6
331.24393	7.9
345.22034	2.5
349.25342	7.1
371.23730	2.3
375.27014	6.1
402.73117	2.2
403.29956	2.9
491.35104	6.9
547.39734	3.0
565.40155	19.3
583.41534	81.0
584.41779	6.7
587.59503	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.0
53.03946	6.3
55.05505	17.1
57.07076	10.3
57.13278	1.6
59.04996	4.0
64.85422	1.7
65.03931	3.5
67.05502	23.0
69.03417	9.0
69.07068	19.5
70.75664	1.9
70.75996	3.8
79.05495	24.7
81.03394	1.9
81.07057	35.9
83.04985	8.7
83.08610	10.4
85.06554	5.5
91.05486	50.3
93.07043	68.3
94.07421	2.1
95.04946	12.1
95.08599	39.0
97.06529	7.7
103.05499	4.5
105.07032	71.0
107.08591	50.4
107.58327	2.1
109.06480	9.8
109.10146	21.9
111.08100	2.7
115.05496	4.8
117.07027	18.6
119.06277	2.3
119.08586	89.6
121.06521	4.6
121.10146	51.1
122.10500	2.0
123.08070	14.9
123.11700	7.3
125.06006	2.4
125.09616	3.9
128.06244	13.2
129.07019	20.3
130.07782	7.6
131.08557	35.8
133.06491	3.7
133.10127	45.6
135.08066	8.6
135.11710	16.0
137.09599	8.9
139.11168	5.9
141.06995	9.1
142.07776	25.3
142.08786	2.2
143.08566	37.7
144.09352	8.6
145.10132	51.0
146.07265	2.2
147.08032	12.2
147.11690	16.4
149.09621	10.3
149.13287	4.3
151.07567	12.5
153.06990	4.2
154.07751	4.0
155.08571	14.0
155.10652	2.9
156.09349	21.1
157.10138	52.0
158.10907	9.1
158.55157	1.8
159.08061	5.3
159.11681	30.0
161.09671	5.8
161.13287	8.3
163.11217	6.9
165.07048	9.1
165.09102	19.0
166.07777	3.0
167.08562	11.0
167.10683	46.3
168.09340	9.1
169.10121	30.4
170.10905	6.7
171.11719	28.2
172.12454	2.6
172.78743	1.9
173.09683	4.5
173.13258	23.8
173.14479	2.2
175.11287	5.7
175.14793	12.7
179.08577	16.2
180.09286	8.2
181.10143	15.4
181.12263	6.8
182.10907	6.7
183.11674	28.2
184.12488	3.6
185.09732	4.2
185.13246	17.4
187.14862	7.3
189.12788	5.4
191.14282	10.2
192.09343	3.7
193.10133	15.0
194.10954	8.4
195.11694	22.2
196.12521	8.9
197.13258	20.8
199.11218	3.3
199.14873	16.8
201.12740	3.1
201.16418	5.0
203.14342	7.1
205.10201	5.7
206.10924	8.5
207.11726	19.4
207.13655	3.0
208.12431	8.0
209.13258	28.9
209.15137	3.3
210.13965	3.4
211.14821	11.1
213.16422	4.6
215.14407	4.1
217.10205	2.8
217.15897	8.1
218.10843	3.5
219.11734	9.0
219.17519	1.8
220.12495	7.4
221.13290	14.9
221.15424	38.6
222.13989	4.2
222.15915	2.3
223.14790	16.5
225.12750	2.4
225.16383	6.7
227.14337	2.4
227.86275	1.9
231.11655	5.6
232.12518	3.2
233.13254	11.8
233.15433	13.7
234.14055	2.9
235.14865	10.7
237.16496	7.7
239.14160	3.0
239.17978	3.8
241.19518	2.6
243.06096	2.2
243.11673	2.5
244.12543	4.1
245.13284	6.4
246.14151	5.5
247.14720	9.0
247.16972	2.5
248.15593	2.0
249.16423	9.2
251.14217	2.3
251.18040	8.6
253.19481	3.7
255.17383	3.2
257.13361	2.3
257.19073	7.5
258.14258	2.1
259.14832	6.3
259.20364	2.0
260.15521	4.6
261.16455	8.4
262.16925	3.3
263.18027	5.1
265.16187	1.6
265.19565	8.4
267.17496	2.1
269.13013	2.2
269.19086	5.2
271.14847	3.1
271.20456	2.2
272.15326	2.4
273.16364	3.5
275.18024	8.3
277.19556	3.1
283.20523	14.4
285.16086	2.6
285.18845	2.6
287.20407	3.1
288.18454	2.4
289.19598	6.1
295.20490	2.5
297.22144	3.5
301.19354	2.4
303.21024	2.7
305.22641	2.0
315.21051	3.5
323.23669	2.7
331.20786	3.4
331.24362	6.2
335.23386	2.5
349.25348	6.0
357.25540	2.5
365.24780	4.1
375.26740	5.8
403.29889	5.6
488.32455	2.8
491.34937	7.8
503.34537	2.8
547.38861	2.8
565.40472	20.3
566.40570	2.9
583.41437	100.0
584.41681	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.05497	18.3
57.07070	11.8
67.05511	29.5
69.03433	12.6
69.07066	24.4
70.34592	17.7
79.05492	37.0
81.07066	40.4
83.04975	10.5
83.08616	10.8
85.06522	5.6
89.38328	4.5
91.05480	64.9
93.07052	67.2
95.04953	17.4
95.08617	38.6
97.06538	8.2
103.05483	6.6
105.07036	82.6
107.08594	58.5
109.06515	12.5
109.10153	19.1
115.05473	10.2
117.07018	29.1
119.08579	96.8
121.06500	6.8
121.10159	66.6
123.08041	13.1
123.11686	9.8
125.05984	8.9
128.06256	11.7
129.07011	16.8
129.21170	4.6
130.07814	10.8
131.08575	49.6
133.10132	57.9
135.08023	12.2
135.11731	22.1
137.09644	14.0
141.07002	12.0
142.07776	25.4
143.08580	55.0
144.09395	6.1
145.10123	63.2
147.08058	13.4
147.11646	21.9
149.09637	7.7
151.07533	14.0
151.11110	5.0
153.06938	7.7
154.07782	6.6
155.08565	22.7
156.09401	25.2
157.10149	71.8
158.10909	14.5
159.08012	7.3
159.11716	35.3
161.09586	9.5
161.13293	11.9
163.11156	10.6
165.06967	9.4
165.09148	28.6
167.08543	13.8
167.10721	14.4
168.09322	12.2
169.10175	32.3
170.10864	9.1
171.11711	33.5
173.09622	7.5
173.13275	24.1
175.14848	13.0
179.08548	18.9
180.09331	10.9
181.10133	19.1
181.12254	9.5
182.10944	16.4
183.11745	34.1
184.12520	5.3
185.13231	22.6
187.14865	12.7
189.12752	6.3
191.14314	15.2
192.09297	5.6
193.10123	18.6
194.10922	17.0
195.11700	28.1
196.12505	6.9
197.13261	20.7
199.14816	25.5
203.14272	6.5
205.10141	8.7
206.10905	9.0
207.11693	20.9
207.13591	6.8
208.12434	5.0
209.13271	35.5
210.13867	6.0
211.14880	11.2
213.12727	5.4
213.16455	7.8
217.10092	10.7
217.15897	10.6
219.11745	11.6
219.13809	4.7
220.12471	10.4
221.13251	17.0
221.15378	46.3
222.14008	7.9
223.14857	15.1
225.16443	5.8
230.10924	4.8
232.12383	6.9
233.13181	10.9
233.88548	5.1
235.14821	12.4
237.16447	11.1
239.17831	8.5
244.12370	7.5
245.13206	9.8
246.13997	9.4
247.14825	16.7
249.16318	10.2
251.18056	9.8
255.11845	5.2
257.19009	10.9
259.14990	8.0
260.15466	5.0
261.16443	15.0
263.17935	6.2
265.19473	7.2
273.16177	4.6
275.17831	13.1
279.21051	4.8
283.20618	23.0
321.22394	5.5
331.24097	7.9
347.23526	5.6
349.25296	8.9
491.35077	8.9
565.40302	16.1
583.41455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.05502	22.4
57.07080	5.5
65.03936	5.9
67.05508	30.6
69.03425	7.4
69.07071	31.3
70.19630	10.0
71.28983	3.5
73.26369	2.9
76.82041	3.1
79.05495	40.1
81.07064	38.7
83.04977	9.8
83.08617	8.9
84.22887	2.8
85.06528	8.4
91.05483	66.0
93.07050	78.5
95.04970	21.3
95.08614	47.2
97.06535	11.0
103.05470	5.7
105.07028	90.1
106.07413	3.1
107.08591	49.5
109.06496	10.5
109.10159	30.2
111.11705	3.8
113.09654	2.4
115.05466	9.2
116.06208	4.4
117.07038	25.4
119.08583	100.0
121.06521	7.2
121.10143	64.8
123.08045	13.0
123.11713	6.7
125.09649	3.1
128.06229	13.8
129.07016	21.7
130.07785	8.7
131.07693	5.1
131.08580	44.8
133.10133	50.9
135.08069	11.2
135.11670	21.3
137.09615	9.5
139.11208	6.4
141.06984	10.6
142.07805	30.6
143.08563	46.3
144.09319	11.9
145.06483	5.7
145.10127	68.1
147.08051	9.7
147.11716	16.7
149.09633	12.1
151.07539	6.1
151.11176	3.6
153.06940	5.4
154.07753	5.9
155.01135	3.2
155.06111	3.3
155.08560	19.3
156.09322	17.8
157.10121	49.3
158.10889	7.6
159.08058	9.3
159.11708	30.1
161.09590	4.0
161.13271	6.0
163.11218	3.6
165.06984	6.9
165.09125	8.3
166.07784	3.0
167.08644	14.0
167.10681	64.9
168.09334	8.4
169.10135	31.6
170.10910	8.6
171.11716	34.9
173.09590	5.2
173.13283	24.1
173.32082	2.9
175.11197	5.4
175.14842	12.5
179.08577	16.3
180.09334	6.0
181.10127	15.7
181.12137	4.9
182.10992	8.3
183.11687	27.0
184.12532	3.6
185.09570	3.4
185.13275	14.2
187.11174	3.1
187.14819	9.8
189.12712	7.8
189.16281	3.0
191.14317	8.8
192.09349	5.0
193.10155	16.9
194.10916	11.0
195.11684	21.8
196.12555	7.0
197.13290	20.4
198.14058	4.4
199.14767	14.8
201.16339	7.7
203.14241	6.3
205.10144	5.7
206.10919	8.8
207.11690	19.0
207.13603	5.9
208.12466	8.9
209.13260	26.5
211.14850	12.2
213.12845	3.4
213.16373	4.3
215.14323	3.9
217.15869	6.9
218.10907	3.3
219.11656	8.2
220.12573	5.7
221.13257	19.8
221.15398	17.0
223.14755	8.5
225.16438	4.0
233.13223	13.4
233.15437	15.6
235.14825	12.2
237.16408	6.7
239.14380	3.7
239.17995	6.1
245.13264	3.9
246.13982	5.4
247.14827	5.7
249.16377	10.8
251.17986	6.9
253.15842	3.4
255.17557	3.3
257.19058	7.4
259.14835	6.0
261.16360	6.2
263.17932	7.0
265.19495	5.9
269.19061	6.9
273.16266	3.8
275.17905	8.0
281.18973	3.4
283.20660	8.1
287.17908	4.2
315.21207	3.3
349.25351	4.7
351.22745	3.7
499.92059	3.6
565.40326	15.4
583.41589	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.5
55.05519	17.2
57.07067	7.1
59.04996	2.1
65.03943	4.6
67.05506	25.4
67.80100	2.3
69.03428	7.2
69.07070	17.7
69.41696	21.2
79.05497	31.8
81.03418	2.6
81.07060	39.7
83.04975	7.1
83.08611	9.6
85.06522	6.1
91.05483	51.1
93.07043	70.2
95.04977	13.7
95.08613	35.7
97.06532	8.7
103.05456	3.2
105.07032	75.4
107.08596	54.3
109.06512	11.2
109.10155	24.2
115.05450	6.8
117.07002	20.5
118.53228	2.2
119.08583	100.0
120.19945	1.8
121.06505	7.4
121.10146	63.5
123.08090	12.2
123.11710	7.3
125.05987	4.0
125.09592	3.5
128.06241	13.7
129.06982	15.6
130.07808	7.9
131.08566	35.7
133.06557	3.5
133.10135	40.4
135.08055	10.2
135.11668	17.6
137.09627	12.6
139.11177	5.1
141.07001	6.7
142.07770	29.4
143.08566	44.1
143.09671	2.8
144.09306	7.2
145.10127	66.0
147.08084	12.2
147.11696	20.1
149.09647	12.6
149.13275	4.6
151.07545	13.6
153.07021	5.2
154.07771	5.2
155.08533	18.4
156.09370	20.3
157.10129	59.0
158.10918	8.3
159.08051	3.4
159.11693	35.8
161.09613	8.8
161.13287	10.2
163.11200	8.1
165.07011	8.9
165.09135	18.1
166.07825	3.7
167.08614	14.0
167.10686	30.4
168.09341	9.4
169.10103	34.1
170.10887	8.0
171.08043	2.6
171.11678	33.3
172.12390	2.2
173.13266	28.4
175.11203	5.4
175.14850	11.9
177.12743	2.7
179.08524	15.5
180.09367	7.4
181.10132	19.4
181.12289	7.6
182.10913	8.9
183.11681	33.2
184.12459	6.3
185.09647	3.1
185.13240	17.9
186.13979	3.0
187.11168	3.6
187.14879	12.8
189.12743	7.5
191.14317	9.1
192.09372	5.0
193.10165	15.6
194.10983	13.3
195.11676	25.5
196.12524	6.4
197.13304	18.2
198.13824	2.8
199.14809	17.4
200.11853	2.4
201.16393	4.7
203.14345	7.9
205.10078	2.5
206.10963	7.6
207.11734	21.6
207.13879	6.4
208.12489	6.8
209.13283	30.1
210.13988	4.8
211.14854	10.0
213.12766	2.6
213.16437	3.5
215.14397	5.7
217.10164	6.7
217.15892	9.8
218.10951	4.1
219.11673	9.2
220.12456	8.8
221.13284	15.7
221.15417	41.8
222.13957	5.2
223.14798	15.9
224.15579	3.6
225.12828	4.0
225.16423	7.6
227.14320	2.3
231.11676	4.9
232.12582	6.7
233.13277	9.9
233.15213	10.4
234.14005	2.9
235.14891	16.1
235.16853	3.0
236.15685	2.7
237.16399	7.0
239.17957	4.9
244.12569	2.7
245.13258	10.4
246.13982	3.7
247.14809	12.2
247.17041	2.8
248.15523	4.7
249.16451	7.3
251.18016	7.3
257.13361	3.9
257.19043	6.9
258.13910	2.8
259.14810	7.4
260.15546	3.8
261.16437	9.3
262.17188	2.8
263.18008	6.7
265.19583	10.1
267.17642	3.1
269.19070	5.6
271.14819	4.1
273.16360	4.3
275.17911	10.5
277.19528	4.0
279.17700	3.3
281.18927	3.2
283.20493	11.1
285.16257	2.8
287.17657	3.5
289.19455	2.7
291.20944	4.6
295.20660	3.1
297.22141	2.8
331.24265	4.1
335.23697	2.6
349.25323	7.0
375.26807	5.0
403.30090	6.4
491.35190	5.3
547.39294	4.2
565.40540	17.7
583.41412	95.5
584.41876	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
53.03938	0.9
55.01879	1.0
55.05515	6.2
57.03429	0.9
57.07081	4.6
59.05000	1.8
65.03907	1.2
67.05511	10.0
69.03432	4.0
69.07066	5.1
69.96789	4.5
70.55250	0.8
79.05502	7.5
81.07066	12.1
83.04993	1.1
83.08630	3.0
85.06557	2.6
91.05478	13.0
93.07054	20.4
95.04978	5.1
95.08610	18.3
97.06545	1.4
97.10194	1.5
103.05484	1.2
105.07039	26.2
107.04951	4.4
107.08607	11.2
109.06522	4.3
109.10162	5.6
115.05507	1.1
115.75205	0.8
117.07023	5.6
119.08590	23.5
121.06522	2.8
121.10153	17.8
122.74989	0.8
123.04414	0.8
123.08076	9.8
123.11658	2.2
125.05989	1.6
128.06244	2.6
129.07027	4.8
130.07777	1.7
131.08577	8.5
133.06474	1.3
133.10144	14.3
135.08063	4.9
135.11688	6.8
137.09644	7.3
141.06999	1.8
142.07817	5.0
143.08600	10.2
144.09294	1.2
145.06554	0.9
145.10110	16.5
145.11130	1.3
147.08046	10.5
147.11723	4.8
149.09648	3.8
149.13319	1.0
151.07547	13.3
153.06938	1.5
154.07806	1.9
155.08553	4.1
156.09343	5.2
157.06503	1.0
157.10127	17.8
158.10985	1.6
159.08067	1.9
159.11725	10.7
161.09679	3.3
161.13327	3.9
163.11217	3.3
165.07030	2.0
165.09128	25.9
167.08612	2.9
167.10744	2.1
168.09395	2.6
168.68289	0.9
169.10155	8.8
169.26631	0.8
170.10960	2.9
171.11690	12.3
171.12961	1.3
173.09601	1.9
173.13277	6.2
175.11270	1.7
175.14832	2.7
179.08640	2.9
180.09381	1.8
181.10114	4.7
181.12326	2.1
182.10977	3.5
183.11694	8.2
185.13255	9.2
187.11124	0.9
187.14879	2.4
189.12772	3.7
191.14349	1.8
193.10165	3.7
194.10934	2.8
195.11751	8.4
196.12529	3.5
197.13261	7.5
198.13966	1.2
199.11258	1.2
199.14864	4.2
201.16405	1.1
203.14336	9.8
205.10162	1.1
206.10997	2.3
207.11748	6.7
207.13858	3.5
208.12457	1.8
209.13277	9.9
209.15146	1.5
210.14020	1.2
211.14835	3.9
213.16443	2.6
218.10974	1.0
219.11732	2.9
219.17578	2.2
220.12560	1.9
221.13292	5.6
221.15343	39.5
222.14050	1.1
223.14827	4.9
225.16440	2.7
231.17415	1.3
232.12495	1.4
233.13307	2.8
233.15311	1.7
234.14090	1.4
235.14745	5.3
236.15649	1.6
237.16464	2.5
239.17967	1.6
244.12405	1.1
245.13187	1.3
246.14136	1.5
247.14859	4.6
248.15585	1.5
248.32980	0.9
249.16504	2.9
251.18044	3.2
253.19652	1.8
255.17525	1.1
257.19006	1.6
259.14819	1.9
260.15790	1.7
261.16425	2.5
263.18073	1.8
265.19604	2.6
269.19080	2.0
273.16388	1.7
275.12970	1.0
275.18045	2.8
277.19547	1.9
279.21106	2.1
281.19153	2.1
283.20667	3.5
287.20251	1.4
289.19589	1.2
291.21057	1.2
295.20566	3.5
297.22202	3.8
305.17728	1.4
347.23654	1.5
348.24139	1.0
349.25519	2.6
352.24002	1.1
357.25867	1.2
375.26898	4.7
377.25150	1.0
385.29190	1.2
403.29877	8.4
433.29150	0.9
491.35327	2.8
503.35522	3.8
509.34280	2.1
547.39044	2.5
565.40363	27.2
566.41101	1.2
583.41522	100.0
584.41919	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	583.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
54.00495	0.3
55.01863	0.5
55.05518	1.5
56.15567	0.2
57.03434	0.4
57.07067	0.4
58.11986	0.3
63.75449	0.2
65.03928	0.7
67.05499	1.9
69.03432	2.2
69.07075	1.9
69.52759	2.1
71.04975	0.4
74.37944	0.3
78.80636	0.2
79.05496	2.8
81.03416	1.7
81.07066	4.5
83.04973	0.9
83.08613	0.6
84.58327	0.3
85.02911	1.9
85.67925	0.2
87.00835	1.5
91.05482	3.9
93.07059	4.2
95.04962	1.1
95.08612	3.0
95.24592	0.2
97.02902	4.0
97.06537	1.3
97.10178	0.3
98.20790	0.5
99.04443	0.7
99.08097	30.5
103.05457	1.8
105.01871	0.8
105.07036	6.6
107.04954	0.6
107.07869	0.5
107.08599	9.6
109.02885	3.4
109.06503	1.3
109.10175	1.1
111.04474	1.4
111.08059	0.8
115.05518	0.3
119.04982	1.3
119.08588	5.3
121.06529	0.7
121.10152	5.6
123.04480	0.4
123.08102	1.6
123.11718	0.6
125.05991	1.1
125.09634	100.0
126.10054	0.3
127.03909	3.2
131.04916	2.0
131.08560	0.8
133.06497	0.7
133.10139	4.1
135.08066	0.3
135.11700	0.9
137.05974	1.7
137.09566	0.5
139.07574	0.9
145.04980	0.4
145.06488	0.3
145.10135	0.8
147.04416	4.1
147.08049	0.5
147.11690	6.5
149.09627	2.0
149.13261	1.1
151.07556	1.7
151.11140	1.4
157.10101	0.6
163.11110	0.4
165.09160	0.9
165.12744	2.1
167.07085	1.1
167.10663	0.4
175.11169	2.3
181.12271	0.9
185.04395	0.4
186.58136	0.2
193.12244	7.8
207.10109	0.2
211.13297	16.9
213.03929	1.6
215.26941	0.3
231.04903	0.4
233.08032	0.3
299.20026	0.7
317.21124	1.0
335.22183	15.5
353.23315	0.7
509.47238	0.3
547.25372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01867	2.0
55.05506	6.5
57.03431	1.7
59.05010	1.8
67.05502	11.4
69.03428	10.0
69.07062	7.2
71.04977	4.0
71.59801	1.4
71.60227	1.7
73.02894	2.1
78.41251	1.4
79.05493	9.2
81.03414	11.3
81.07063	15.7
83.04967	4.7
83.08622	7.7
85.02912	18.2
85.06557	2.6
87.00834	10.3
87.04491	2.0
91.05485	10.4
93.07040	18.0
95.04965	4.6
95.08610	23.1
96.37834	1.7
97.02885	15.8
97.06544	9.2
97.10141	2.3
98.06879	1.4
99.04458	5.7
103.05456	2.4
105.01877	11.8
105.07028	18.6
107.04961	3.8
107.08607	19.8
109.02868	23.5
109.06496	2.7
109.10159	20.2
111.04443	9.6
111.08076	8.0
115.05489	2.2
117.07030	3.9
119.08583	42.8
121.06486	3.3
121.10144	19.0
123.08065	4.4
123.11685	7.2
125.06007	4.1
125.09631	6.6
127.03923	28.6
131.08569	7.7
133.06496	2.7
133.10139	26.5
133.11116	2.8
135.08018	5.5
135.11685	7.7
137.06009	11.5
137.09595	5.3
137.13220	2.3
139.07538	1.9
141.06950	1.8
143.08539	5.3
145.02792	1.7
145.04904	3.5
145.06506	2.3
145.10097	12.7
147.04457	2.1
147.08011	3.5
147.11688	13.4
149.06003	1.7
149.09624	2.8
149.13237	4.0
151.03932	1.8
151.07564	3.3
151.11183	2.6
153.09166	2.5
155.08539	4.3
157.10118	9.7
159.02841	2.0
159.08063	2.5
159.11679	11.9
161.05991	4.1
161.09622	5.2
161.13243	5.5
163.03943	2.4
163.07571	2.0
163.11154	3.1
163.14772	1.8
165.09100	4.3
165.42392	1.5
167.07082	9.6
168.55447	1.6
169.10158	3.6
171.11720	7.5
173.06079	2.1
173.09647	4.3
173.13310	8.8
175.11232	2.5
175.14764	3.7
177.05450	2.7
179.10692	3.0
181.04912	3.6
183.11700	5.3
185.13295	4.2
187.11186	5.4
187.14787	7.0
189.09169	2.3
189.12631	2.5
189.16360	4.2
191.07010	1.9
191.10672	2.9
193.08586	1.8
197.13229	5.8
199.11205	5.2
199.14825	7.0
201.16408	4.6
203.10725	3.1
205.12222	3.3
205.15903	3.0
211.11256	3.5
213.03941	4.4
213.16409	2.0
215.14273	6.0
217.12184	7.3
219.13841	3.7
225.11092	4.0
225.16357	1.7
227.18016	2.8
229.12276	5.9
231.04948	7.0
231.13809	1.9
233.15393	5.1
237.16341	2.2
239.14159	1.7
239.17905	3.3
243.13872	3.2
253.19505	4.1
257.19110	2.3
259.17044	1.9
269.18857	4.1
271.20560	3.2
281.18958	5.3
287.10287	1.9
287.20053	25.1
289.21527	6.9
299.20096	38.1
317.21130	59.6
335.22183	100.0
349.20175	2.0
441.35614	1.7
447.80182	1.5
457.22101	2.4
467.88879	2.0
583.27106	3.3
595.56622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
53.57099	1.4
55.01855	1.4
55.05505	3.8
57.03443	2.0
61.27541	1.3
67.05491	8.8
69.03427	10.5
69.07067	4.8
70.86388	3.3
70.86736	1.8
77.55434	1.6
79.05486	5.6
80.41059	1.4
81.03428	10.8
81.07052	9.5
85.02908	24.6
87.00824	15.4
91.05482	11.5
93.07047	12.3
95.04950	2.4
95.08611	14.7
96.56126	1.6
97.02888	18.0
97.06524	4.2
99.04455	4.6
99.08096	1.5
105.01859	18.6
105.07039	16.4
107.04910	1.7
107.08596	15.5
109.02879	20.0
109.06532	3.0
109.10136	7.3
111.04424	5.0
117.07013	4.1
119.08584	45.1
121.06480	2.8
121.10116	8.2
123.11701	2.3
125.09617	3.2
127.03907	30.3
129.07057	2.4
131.08571	6.8
133.10124	16.7
135.08017	3.5
135.11720	3.3
137.05971	3.5
137.09612	2.3
141.06927	2.2
142.07816	2.4
143.08560	4.1
145.04964	4.4
145.06566	1.7
145.10133	11.3
147.11697	8.5
149.09639	1.7
151.03900	1.5
151.11148	1.4
155.08604	1.8
157.10114	5.7
159.11684	10.6
161.13258	4.1
163.07471	1.5
163.11212	1.6
165.09163	1.6
167.06975	2.4
169.10141	3.7
171.11707	4.0
173.13295	4.9
175.14937	2.2
177.23250	1.5
183.11685	5.4
185.13281	3.6
187.11095	2.0
187.14771	3.5
188.22530	1.7
189.16385	2.8
191.10617	1.7
193.08722	2.0
195.11743	1.7
197.09718	1.8
197.13307	3.3
199.11153	2.4
199.14839	3.1
201.12895	1.6
201.16397	5.0
205.12280	1.8
211.11261	2.0
211.14833	3.5
213.03989	3.7
217.12015	2.0
222.09409	1.5
231.04980	9.7
233.43347	1.6
239.14772	1.6
239.17953	4.4
253.19487	5.1
255.21022	2.3
257.15302	1.7
263.17886	1.7
271.20456	2.0
281.19067	4.4
299.20078	35.9
317.21124	100.0
335.22156	2.9
358.23453	2.1
405.01755	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1657
Annotation	Jaslanceoside E
Peak:m/z	Relative Intensity
53.03935	0.4
55.01849	0.4
55.61213	0.4
63.32328	0.3
65.03935	1.4
67.05500	0.5
69.03434	0.8
69.40700	3.1
85.02894	2.3
85.15194	0.3
89.03919	1.2
93.03410	1.8
97.02893	26.9
107.04935	0.6
109.02872	0.6
109.99466	0.3
111.04443	0.4
114.23133	0.4
115.05492	0.3
117.03400	1.6
121.02882	0.8
127.03918	100.0
128.04262	1.0
128.06184	0.4
129.07019	3.2
135.04428	5.0
137.02316	1.1
139.04028	0.4
141.06978	1.1
145.02841	3.4
145.04913	0.4
147.04376	0.4
147.08096	0.4
149.02328	1.0
152.40004	0.3
157.06520	2.5
163.03909	27.2
167.03403	6.7
167.04778	0.5
169.06500	0.7
171.51917	0.3
173.06039	0.7
174.06784	0.4
175.03926	0.4
175.07538	5.0
176.48326	0.3
185.06004	4.1
187.07516	0.4
189.21364	0.3
201.05501	0.9
203.07082	2.2
213.05469	2.1
229.11998	0.3
230.45404	0.3
231.06543	6.2
259.05991	1.6
270.18777	0.4
275.65668	0.3
277.07083	14.9
289.09222	4.7
295.08081	2.0
325.09015	0.4
518.84698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01879	0.3
56.52545	0.3
60.45509	0.3
65.03921	1.1
67.05507	0.7
69.03425	1.1
69.63480	1.9
70.06569	0.3
73.87847	0.2
79.05493	0.6
81.03425	0.5
85.02896	2.1
85.57099	0.3
89.03921	2.5
93.03397	1.7
97.02892	24.5
98.97548	0.4
105.07003	0.3
107.04972	0.6
109.02911	0.5
117.03362	2.6
121.02902	0.6
125.02361	0.3
127.03915	100.0
128.04271	0.6
128.06175	0.3
129.06976	2.2
135.04411	5.4
137.02344	0.9
139.05449	0.6
141.06981	0.7
141.29645	0.2
145.02840	3.6
145.04951	0.4
145.48555	0.3
147.08000	0.3
149.02287	1.3
157.06487	2.8
161.01285	0.3
163.03905	31.9
164.04231	0.8
167.03416	6.3
167.04868	0.6
169.06493	0.4
173.05969	0.9
175.03926	0.4
175.07558	5.2
185.05983	3.8
187.07530	0.4
195.97780	0.3
201.05527	0.4
203.07021	2.7
206.70929	0.2
213.05531	1.9
219.01799	0.5
223.46190	0.2
231.06534	5.3
259.06104	1.6
277.07068	13.7
289.09174	4.8
295.08154	1.3
377.01788	1.2
395.02884	0.8
583.19092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42398	9.2
56.60361	8.9
58.55701	8.8
62.74586	8.1
67.05478	11.0
69.32234	100.0
69.60791	9.2
71.40585	8.8
79.05484	15.7
80.14691	9.0
81.07047	23.3
88.82235	8.3
91.05476	23.9
93.07050	16.9
95.04952	28.6
95.08626	14.5
98.20701	21.8
103.32007	8.0
103.65048	8.8
105.07046	28.8
107.08600	21.7
109.10163	25.9
119.08583	38.7
121.10184	21.8
131.08569	21.9
133.10132	20.7
135.08044	10.9
143.08592	27.1
145.10165	34.5
148.45421	9.6
156.09369	10.2
157.10114	18.7
158.11035	9.9
159.11823	12.8
169.10175	17.6
176.68495	10.0
181.10129	13.3
183.11700	13.5
187.11122	11.8
195.11627	21.8
197.13370	13.6
209.13255	15.9
223.14893	12.8
223.17097	9.2
273.18500	36.6
299.20044	11.9
352.23972	49.0
444.30206	24.7
467.37506	12.8
495.94077	10.2
522.95459	10.8
582.40356	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.05504	7.3
57.07063	2.8
62.87598	2.5
67.05511	16.1
69.03404	3.5
69.07058	9.4
71.04228	7.0
79.05492	14.9
81.07063	23.8
91.05481	24.9
93.07043	35.2
95.04971	33.5
95.08592	12.5
97.06505	4.9
103.05482	3.7
105.07036	40.9
107.08587	18.1
109.06496	6.4
109.10136	7.2
115.05472	3.4
117.07026	15.8
119.04929	3.8
119.08582	41.7
121.06496	2.8
121.10143	54.7
123.08112	15.0
123.08823	2.7
128.06207	7.6
129.07024	14.5
130.07747	5.4
131.08601	27.1
132.09358	3.0
133.06493	8.5
133.10149	23.5
134.58202	2.8
135.08041	7.1
135.11702	4.1
137.09680	3.0
138.10326	3.8
141.06982	8.0
142.07773	15.1
143.08575	39.1
144.09401	4.3
145.06516	2.6
145.09070	2.6
145.10121	62.6
146.07190	3.9
147.08046	7.8
147.11694	10.2
149.09625	11.7
153.06990	4.4
154.07855	2.7
155.08560	12.6
156.09346	11.4
157.10123	27.6
158.10934	5.2
159.08041	13.3
159.11655	13.6
161.09644	6.3
161.13240	3.1
165.07018	5.9
167.08502	8.9
167.10675	61.5
168.09364	7.9
169.10127	25.5
170.10881	7.3
171.08049	3.2
171.11667	15.6
173.09612	8.6
173.13261	7.5
179.08543	8.9
180.09364	4.5
181.10136	13.5
182.10912	9.8
183.11705	21.8
185.09662	5.8
185.13243	6.1
186.10472	3.8
187.11192	9.7
187.14767	3.0
189.12791	5.1
191.14322	9.5
192.09352	3.6
193.10156	8.3
194.10956	5.6
195.11713	16.7
197.09700	3.9
197.13239	15.8
198.10301	3.7
199.11157	14.5
200.11900	3.7
206.10880	3.5
207.11713	12.3
208.12421	4.6
209.09662	4.4
209.13293	17.7
210.14185	4.1
211.11301	4.9
211.14874	14.5
213.12779	7.6
215.14403	5.8
217.10081	3.8
218.10683	3.0
219.11781	4.6
220.14522	10.3
221.13266	10.5
221.15297	3.9
222.14085	2.9
223.11185	7.4
223.14842	11.1
224.15584	3.9
225.12729	7.1
225.16258	5.8
227.14403	3.7
230.16295	2.6
232.12320	3.6
233.13261	4.8
233.15338	27.9
234.16127	4.1
235.14859	5.5
237.12744	3.4
237.16544	3.0
245.13187	6.0
245.19238	2.5
246.16179	5.5
247.14755	4.2
247.17039	4.5
248.15729	3.5
249.12776	4.9
249.16508	7.5
251.14177	5.0
251.17958	5.2
253.15932	3.2
259.14758	3.0
261.16345	4.2
263.14316	3.1
265.15906	6.8
267.17337	2.9
273.18506	11.3
285.18478	3.1
286.19156	5.6
291.21194	4.0
298.19318	8.9
299.19980	16.1
301.19586	5.3
310.19327	6.0
311.20020	6.3
312.20819	4.5
319.20486	3.7
324.20792	4.0
325.21826	4.6
335.19958	11.3
337.21719	13.9
349.21457	6.5
350.22357	5.7
351.23099	11.6
352.23987	100.0
353.24826	4.3
363.23077	9.8
364.24011	5.5
365.24704	10.1
372.68732	2.7
376.23956	3.8
389.24631	4.5
389.98932	2.5
429.27554	5.6
434.28159	4.6
443.29007	4.8
444.30188	37.6
445.30789	4.8
489.35803	7.7
490.34476	18.3
503.35211	4.2
564.39941	3.2
582.40704	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01865	3.2
55.05499	3.6
55.49406	1.0
57.03438	2.0
57.07062	1.5
60.04515	1.8
61.02921	1.8
65.11809	1.1
65.36765	1.2
67.05512	3.2
69.03429	6.2
69.07065	3.4
69.97406	1.1
71.12595	2.6
74.09725	1.7
79.05519	5.3
81.03432	5.9
81.07077	5.6
83.04974	1.7
83.08619	2.1
85.02911	14.9
85.06551	1.3
86.06039	2.4
86.09703	1.4
91.05475	4.2
93.07040	4.4
95.04947	3.4
95.08588	3.2
97.02905	7.0
97.06540	16.6
99.08034	2.9
100.11245	7.5
103.05460	4.1
105.07037	10.8
107.04955	2.0
107.08591	4.4
108.08916	1.2
109.02872	3.3
109.06528	2.0
109.10148	2.1
111.04417	3.3
111.08094	1.6
115.05457	2.2
117.03333	1.9
117.06998	1.7
119.04927	3.4
119.08585	2.8
121.06527	1.0
121.10161	2.4
122.03662	1.7
123.08064	1.6
123.11678	1.6
127.03913	5.5
128.07065	1.3
131.04942	6.5
131.08582	1.3
132.05260	2.6
132.95839	2.4
133.06494	4.7
133.10104	1.2
135.08049	2.6
137.05978	15.8
138.06325	2.0
139.07460	1.4
145.02811	6.8
145.04906	1.4
146.03639	2.4
147.04419	14.6
147.11687	4.1
149.05988	3.1
149.13211	1.1
149.42426	1.2
150.96840	1.8
151.03960	1.2
151.07558	3.9
154.12169	1.6
156.13840	7.2
158.69586	1.0
160.05241	1.6
161.04605	2.1
161.05984	44.5
163.03967	1.5
163.07556	15.3
165.05560	1.1
167.07021	12.7
168.07419	1.9
169.06456	1.7
174.96919	4.5
175.07542	22.0
177.05495	15.3
177.09059	2.8
181.04930	3.0
181.06429	1.5
182.15373	3.9
184.13330	2.8
187.07556	1.5
189.09021	1.2
190.07787	1.3
191.06975	3.0
193.04976	1.3
193.08577	1.6
193.12294	1.2
194.07214	1.7
195.08171	1.5
199.07541	1.5
203.17943	2.1
205.10175	2.7
207.08147	2.4
209.09729	1.6
210.14873	5.0
211.07523	1.6
211.13342	1.7
213.09103	1.8
215.07034	2.1
215.10800	1.3
218.07240	2.5
218.09358	1.2
218.96007	1.2
219.10123	3.0
221.06006	1.7
222.06776	1.7
222.36945	1.1
223.07568	1.3
224.08290	1.7
233.06158	1.5
233.09807	6.1
234.06653	1.2
234.98993	1.7
235.07501	3.3
237.09093	5.8
239.10648	2.2
247.07637	1.5
249.08986	1.3
250.06233	2.4
250.09863	3.8
252.07816	1.7
259.09781	2.2
260.97061	2.0
261.09109	5.3
263.06842	2.7
264.07834	2.4
265.08624	20.4
265.12140	3.4
267.10141	4.6
269.08017	2.2
277.08606	1.7
278.09451	4.3
279.10156	1.9
283.13150	1.6
284.10379	1.7
287.12830	5.2
293.11688	12.2
296.10541	1.4
297.11221	5.1
297.14337	1.3
299.12711	4.9
301.14334	1.5
310.11874	1.2
311.12793	52.0
325.14169	3.9
329.13950	1.5
333.28491	1.4
337.14297	3.1
343.15421	100.0
355.15387	4.7
373.16373	4.8
395.09647	1.4
399.32507	1.6
410.30225	1.5
455.17313	2.9
550.21741	3.6
565.21887	1.6
582.24286	3.3
582.32690	2.1
582.46362	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	582.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.05503	2.3
59.05003	1.3
62.18628	0.8
67.05515	1.3
69.03424	2.3
69.07050	1.4
71.04998	12.1
71.59021	1.0
71.59385	0.9
73.06568	3.6
79.05494	3.8
81.03409	3.4
81.07059	17.4
83.04972	2.8
83.08608	1.0
85.02917	2.5
91.05479	6.9
93.07036	10.2
95.04942	1.6
95.08590	2.7
97.02891	6.5
97.06499	1.2
105.07022	1.1
107.04917	0.9
107.08599	9.5
109.02881	6.0
109.10148	2.9
111.04440	4.2
119.04938	13.7
119.08562	2.0
120.30475	0.7
121.03002	0.7
127.03925	7.6
135.04411	0.7
135.11696	19.0
138.44641	0.7
145.04890	0.7
147.04410	85.0
149.05980	0.8
153.12744	100.0
154.13167	1.0
159.11591	1.0
163.03867	2.1
165.05478	6.4
167.07074	1.1
172.08444	0.7
213.03908	0.8
224.81699	0.8
229.08769	0.9
248.93437	1.0
291.08621	1.8
299.20062	1.5
350.93533	0.8
395.09747	36.0
396.09677	1.0
438.92099	0.9
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
53.02825	0.8
53.03953	2.1
67.01888	1.6
67.05494	2.2
68.21560	0.7
69.03419	1.8
69.07072	1.3
69.35301	5.1
69.35726	3.0
69.86163	0.8
79.05491	2.2
81.03429	3.5
81.07057	33.5
84.00745	0.7
85.02901	2.5
89.03909	3.0
92.18961	0.8
93.07069	1.0
95.08617	5.8
97.02906	4.2
98.21443	1.9
99.04456	0.9
107.04935	1.9
109.02877	6.5
117.03359	4.3
127.03901	6.8
128.02982	1.0
135.04419	12.4
137.13245	9.0
141.96133	0.8
145.02838	11.1
163.03906	100.0
164.04301	1.9
181.05031	5.2
218.14120	1.2
221.67987	0.8
222.23198	0.9
307.07901	1.3
339.04617	0.9
372.29214	0.9
411.09186	27.4
412.09439	1.0
547.21362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
57.19205	0.3
67.05496	0.6
69.03436	1.8
69.07068	0.6
70.06566	1.0
71.04980	0.3
71.58387	0.5
72.19957	0.3
73.90327	0.3
79.05477	0.9
81.03407	1.4
81.07059	3.5
82.07390	0.3
85.02912	1.6
89.03897	1.9
89.17199	0.3
91.05486	1.6
93.07088	0.4
95.08605	0.9
97.02888	4.9
97.06529	0.4
99.04457	0.6
107.04946	0.9
107.08566	0.4
109.02882	0.4
110.07176	0.4
113.10568	0.3
115.03942	0.4
117.03400	2.4
121.93244	0.3
125.09605	0.5
127.03917	1.6
131.04948	0.4
135.04420	7.3
135.07985	0.3
137.05988	0.4
137.13272	1.6
138.13573	0.5
141.07059	0.3
145.02846	7.3
145.04852	0.3
147.04391	0.6
150.07597	0.3
152.32932	0.3
163.03903	100.0
164.04225	0.6
166.54497	0.3
167.07076	0.4
177.05496	0.7
181.05000	1.5
209.08136	0.6
213.55057	0.3
237.02756	0.4
305.08154	0.4
307.08002	0.8
325.09174	21.7
333.20557	0.4
334.20901	1.3
457.13431	0.4
463.01465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46785	0.8
53.03941	1.6
55.01860	2.1
55.05506	1.9
56.96563	1.2
57.03438	15.4
59.04988	3.7
60.04522	1.0
61.02913	3.9
65.57703	0.8
69.03432	68.5
69.07062	2.1
70.06587	2.5
71.01330	1.6
71.04984	1.9
71.58904	1.4
73.02907	4.2
75.04466	4.0
79.05500	2.0
81.03416	7.6
83.04992	1.3
85.02907	98.4
86.03214	1.0
86.09701	1.0
87.04472	51.6
91.03951	3.5
91.05484	45.7
95.08579	1.2
97.02896	79.3
98.21320	0.9
99.04456	4.5
101.02406	1.5
103.03895	1.8
105.07044	5.1
107.04955	4.3
109.02895	6.1
111.04444	1.1
115.03931	100.0
116.04253	1.3
116.98650	0.9
117.05511	1.2
118.08681	1.4
119.04929	4.0
123.04463	1.1
126.61072	0.9
127.03921	25.1
128.76143	0.9
129.07007	1.1
131.08549	1.8
133.04968	99.9
133.06557	2.9
136.07559	1.2
137.05986	1.0
139.03996	1.1
143.03387	1.0
145.04962	39.5
147.04411	16.9
147.11697	0.9
148.04726	2.4
150.07616	3.6
159.08112	1.1
161.04416	3.2
161.05931	0.8
163.03902	1.7
163.06032	16.7
167.07013	1.3
169.05017	2.1
175.06105	1.1
175.07506	2.1
175.14806	1.2
177.05415	1.4
181.05099	1.2
187.06013	1.3
193.04996	1.4
205.08643	2.0
217.08632	2.6
223.06068	2.0
223.09631	11.8
229.07050	1.9
235.09637	2.4
241.06996	3.6
253.10634	3.6
259.08157	16.5
271.11829	1.2
277.09201	7.0
289.09140	1.8
295.10217	14.9
314.02499	0.9
325.11325	13.3
388.70667	1.1
406.24265	2.8
442.35242	1.0
582.27814	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	582.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88641	0.5
55.01864	0.7
65.03938	4.1
67.05495	1.3
69.03421	1.2
71.59647	0.8
73.50359	0.5
79.05506	1.2
81.07057	0.5
85.02921	0.9
89.03919	3.9
91.05482	1.1
93.03417	6.0
95.64830	0.6
97.02892	100.0
105.06985	0.6
107.04970	1.4
111.04485	1.0
117.03390	4.3
119.08584	0.7
121.02853	1.8
123.04462	0.6
125.02356	1.0
127.03915	0.7
128.06226	1.2
129.07005	7.0
135.03397	0.7
135.04417	11.9
137.02342	2.7
139.03864	1.1
139.05431	1.2
141.06998	2.3
145.02844	9.1
147.04390	1.1
147.08026	0.9
149.02347	5.0
157.06496	6.0
157.07614	0.8
160.05191	0.7
161.05998	0.8
163.03908	89.8
164.04182	0.9
167.03413	26.6
167.04742	0.9
167.07069	1.2
168.07347	0.7
169.06473	1.5
173.05975	2.0
174.06743	0.9
175.03841	1.0
175.07553	17.5
177.05544	0.8
184.07324	0.6
185.05981	11.6
187.07552	1.3
193.05058	0.6
201.05406	2.5
203.07028	9.3
209.08012	0.7
213.05489	7.3
231.06532	16.9
241.04977	0.7
259.06000	3.6
277.07071	60.2
295.08112	8.7
325.09103	0.7
431.44266	0.6
444.11234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03932	1.6
55.01867	2.0
57.03412	0.6
61.91195	0.4
65.03945	3.0
67.05487	1.4
69.07092	1.0
70.06569	1.1
71.04963	0.5
75.04475	2.8
78.04722	2.8
79.05489	2.2
79.28841	0.5
79.62894	0.5
81.03424	0.7
81.07057	6.7
82.07344	1.0
85.02917	3.4
86.09685	0.8
89.03912	1.9
89.06030	1.2
91.05482	11.8
93.03402	10.6
93.07046	5.7
95.04974	5.1
95.08610	2.8
97.02897	0.6
97.06545	3.2
98.20773	1.6
103.05482	4.5
105.07037	1.2
106.04176	25.8
107.04952	1.6
107.08634	0.6
109.06506	1.2
111.04435	1.0
117.03317	0.9
119.04914	0.9
121.06503	27.2
121.10085	0.9
122.07326	0.8
123.04425	1.2
123.08079	1.1
124.05236	0.8
125.06002	8.1
127.03896	0.6
131.04936	1.5
133.02855	0.6
133.06465	0.5
134.03619	4.0
135.04385	1.0
135.11682	0.7
137.05962	4.7
137.13239	2.0
138.06763	1.1
138.13570	1.0
139.07527	2.1
145.02850	1.4
147.04376	1.3
148.05176	1.6
149.05984	43.1
151.07553	2.3
153.05484	1.6
153.09094	10.9
154.45772	0.5
161.05917	0.9
162.01315	0.6
163.03889	2.5
163.07556	1.4
165.05450	0.6
166.06238	1.6
167.06999	1.8
177.05473	22.7
181.08595	19.7
182.31351	0.5
190.00774	0.7
191.07080	3.4
193.08635	0.9
209.08089	100.0
210.08426	0.6
212.68393	0.6
223.04247	5.8
242.94826	0.6
249.50539	0.6
251.09140	5.7
312.09119	1.2
369.13263	1.8
401.15906	2.2
414.83798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.05523	7.9
57.07071	3.9
59.04999	2.1
65.03954	2.1
67.05512	19.4
68.00246	1.2
69.03436	8.1
69.07069	12.8
71.01394	1.1
71.04993	1.7
71.21644	3.0
71.22002	1.6
71.60117	1.2
79.05496	16.5
81.03427	3.6
81.07065	23.4
81.35017	1.2
83.04984	5.2
83.08621	5.0
84.09720	1.3
85.06551	2.7
91.05486	25.7
93.07048	30.3
95.04970	11.8
95.08611	19.9
97.06542	5.3
103.05499	3.8
103.96029	1.3
105.07029	41.3
107.04999	1.2
107.08598	24.2
109.06517	8.3
109.10172	11.1
111.08090	2.8
115.05412	2.3
116.06277	1.4
117.06988	8.9
119.08588	34.6
121.06532	5.5
121.10146	36.3
123.08068	16.4
123.11740	5.3
125.06005	2.2
125.09658	2.2
128.06224	6.0
129.06999	9.4
130.07829	3.1
131.08589	17.4
133.06561	1.7
133.10135	37.1
135.08083	8.0
135.11676	11.1
137.09634	6.7
139.11168	3.5
141.07011	5.2
142.07802	9.5
143.08557	18.3
144.09349	3.8
145.06502	1.9
145.10129	29.5
147.08060	13.1
147.11696	11.9
149.09627	14.6
149.13283	1.8
151.07556	12.6
154.07788	2.4
155.08540	7.7
155.10696	1.4
156.09320	7.6
157.10136	28.9
158.10905	6.1
159.08095	5.2
159.11700	16.1
161.09680	5.7
161.13284	4.3
163.11206	4.5
165.07056	3.6
165.09131	13.6
167.08559	3.8
167.10683	25.5
168.09401	3.5
169.10118	12.6
170.10927	3.4
171.08022	1.9
171.11667	14.2
172.08911	1.7
172.12469	2.1
173.09659	5.9
173.13258	16.5
175.11224	3.7
175.14868	5.6
177.12720	1.3
178.07819	1.7
179.08620	5.9
180.09375	2.4
181.10138	7.7
181.12244	7.0
182.11006	4.2
183.11703	13.9
184.12466	1.9
185.09610	2.9
185.13264	10.6
187.11252	3.0
187.14809	9.4
189.12788	5.3
189.82515	1.3
191.14362	3.7
192.09476	2.1
193.10175	8.4
193.12064	1.4
194.10892	6.2
195.11731	11.5
195.13545	2.1
196.12523	2.7
197.09673	2.1
197.13248	12.3
198.10414	1.5
199.11220	3.6
199.14827	8.3
201.12755	2.7
201.16444	1.6
203.14279	7.1
205.10199	3.0
206.10982	4.5
207.11760	6.4
207.13855	7.3
208.12460	3.4
209.09695	1.5
209.13292	12.5
210.14084	2.0
211.11238	3.7
211.13097	1.9
211.14903	6.3
212.13625	2.4
213.12758	4.7
213.16431	2.2
215.14378	5.0
217.10213	2.2
218.10922	3.0
219.11731	5.1
220.12555	2.6
221.13281	8.8
221.15436	34.4
222.14098	2.6
223.11244	2.0
223.14868	6.1
225.12843	3.9
225.16386	3.5
227.14436	2.2
230.10896	1.4
231.11769	3.2
231.13858	1.5
232.12482	1.7
233.13271	6.9
233.15443	8.6
234.14078	1.9
235.14886	5.3
237.16420	4.8
239.18034	2.1
241.15680	1.4
241.19617	2.7
243.11752	2.4
244.12532	2.7
245.13310	4.0
245.45343	1.3
246.14061	2.2
247.14861	4.9
247.17093	2.5
249.16484	3.5
257.13232	3.2
258.13962	2.2
259.14877	3.5
261.16406	3.7
263.17911	2.5
265.15979	2.2
269.13464	1.5
269.19083	1.7
271.14807	2.0
273.16357	4.0
274.17139	1.5
275.17935	2.5
277.16013	1.3
277.19464	2.8
279.17484	2.6
285.16592	2.9
287.17816	3.0
289.19635	2.7
295.20737	1.4
299.20416	1.6
311.20233	1.7
312.20996	7.9
325.19028	1.6
335.25955	2.4
336.26154	1.9
341.22766	1.9
347.23627	1.6
355.24280	2.4
357.22162	1.4
359.23627	3.0
373.25327	2.9
399.26382	1.9
425.28674	2.6
489.33704	1.7
545.38147	3.4
546.38873	2.9
553.40582	2.6
563.38818	17.7
581.39917	100.0
582.40503	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
54.59302	0.9
55.01860	1.6
55.05509	2.3
57.03437	0.9
57.68462	0.8
60.64792	0.9
64.23591	1.0
65.03952	1.3
67.05506	18.0
69.03432	7.7
69.07073	3.5
69.36131	8.8
71.04996	1.3
79.05477	7.7
81.03423	8.1
81.07051	13.3
83.04991	2.1
83.08634	1.6
85.02905	8.4
85.06568	1.6
85.07642	1.0
87.00826	4.9
91.05470	9.5
93.07038	11.9
95.04980	4.9
95.08607	21.1
97.02886	17.3
97.06524	5.4
99.04450	3.5
102.64526	1.1
103.05466	2.7
105.01877	3.5
105.06381	1.5
105.07033	19.0
105.07693	0.7
107.04954	2.9
107.08592	19.5
109.02879	9.8
109.06512	4.4
109.10155	100.0
109.60414	0.9
111.04438	6.5
111.08099	3.9
113.06021	2.1
115.07559	1.0
117.07003	2.8
119.04926	1.4
119.08579	31.5
121.06500	3.3
121.10136	8.2
123.04410	1.6
123.08057	5.8
123.11694	4.6
125.05970	1.2
127.03907	13.5
129.07024	1.5
131.04918	1.7
131.08554	4.7
133.06497	30.4
133.10120	19.4
135.08043	4.9
135.11708	3.7
137.05954	5.2
137.09598	3.3
137.13260	4.8
142.07823	1.1
143.08588	5.2
145.04912	1.9
145.10143	6.0
147.08018	13.4
147.11697	1.9
149.05986	1.8
149.09569	2.5
151.03984	1.3
151.07549	1.8
151.11224	2.1
155.08598	1.2
157.10164	4.6
159.08061	1.3
159.11716	5.3
161.09616	8.9
161.13290	1.8
163.03925	4.6
163.07529	2.7
163.11205	3.7
165.07018	1.3
165.09128	14.0
167.07034	7.5
167.10768	1.4
169.10109	1.8
171.08015	1.1
171.11728	3.6
173.09660	1.3
173.13292	3.0
175.11230	1.1
179.07072	1.6
179.10689	10.5
181.08580	1.1
183.11736	1.5
185.09663	1.8
187.11143	2.4
187.14905	1.8
189.09074	9.8
191.10678	1.7
199.11203	2.7
199.14859	2.2
201.12733	2.5
203.10696	1.6
207.10155	14.8
209.11629	2.6
209.13435	1.2
213.03839	1.7
213.16296	1.0
217.12303	1.0
219.13803	3.5
225.11209	55.1
227.17981	1.5
255.17499	1.6
261.16138	1.0
269.18997	3.2
273.18588	2.6
279.17496	1.4
287.16571	1.1
287.19974	4.4
297.18515	9.9
315.19553	25.6
331.18857	1.2
333.20624	13.7
355.12045	1.1
405.20575	1.4
423.21411	1.6
441.23279	1.1
581.21893	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01881	1.6
55.05507	3.8
57.03415	0.8
57.07065	1.2
57.52754	0.6
59.04988	0.7
65.03954	1.1
67.05507	21.5
68.71450	0.6
69.00593	0.6
69.03431	8.8
69.07056	5.0
70.87138	2.0
71.05000	1.4
73.06545	1.0
78.94738	0.6
79.05492	7.3
81.03417	6.1
81.07060	14.6
83.04987	1.3
83.08614	1.8
85.02905	5.1
85.06537	1.5
87.00818	5.0
91.05476	8.2
93.07045	13.9
95.04992	4.0
95.08611	21.2
97.02893	18.4
97.06544	7.4
99.04472	1.8
99.08102	1.1
103.05436	0.7
105.01865	3.9
105.07037	17.7
107.04934	1.9
107.08598	18.4
109.02879	10.1
109.06514	5.0
109.10158	100.0
110.10503	1.0
111.04441	8.5
111.08083	2.8
113.06023	2.1
117.07001	2.8
119.04900	1.2
119.08585	32.4
121.06534	3.5
121.10141	9.0
123.04402	0.9
123.08086	6.6
123.11700	5.0
125.05997	1.0
127.03912	8.9
128.06226	0.9
129.07025	1.5
130.07765	1.2
131.08563	5.2
133.06500	24.5
133.07430	0.8
133.10133	23.7
135.04422	0.6
135.08067	4.5
135.11690	2.8
137.05974	1.8
137.09608	3.7
137.13261	4.6
139.07573	0.9
141.09154	0.8
142.07797	1.0
143.08559	6.1
144.09386	0.7
145.04941	1.5
145.06516	1.7
145.10104	6.4
147.04338	0.7
147.08052	14.4
147.11694	1.8
148.08710	0.8
149.09639	2.7
151.07515	0.8
151.11197	2.8
155.08539	1.0
157.10123	5.0
159.08107	1.3
159.11685	5.7
161.09624	13.8
161.13274	1.4
163.07549	1.8
163.11183	5.1
165.09122	15.8
167.07062	1.2
167.08473	0.9
169.10156	2.4
171.11723	3.1
173.09660	2.3
173.13242	3.4
175.11206	1.2
175.14819	0.9
177.09094	0.9
179.10681	10.8
181.10167	1.3
183.08125	0.7
183.11705	1.1
185.09702	2.6
185.13300	1.7
187.11206	2.6
187.14848	1.3
189.09111	11.0
191.10745	1.0
195.11765	1.3
197.09641	0.9
197.13237	1.1
199.11200	3.8
199.14856	1.6
201.12798	2.4
203.10753	0.9
205.12268	1.2
207.10173	17.2
207.12047	1.0
209.09927	0.7
209.11745	2.3
209.13412	1.4
211.14830	1.3
211.20604	0.7
213.04007	1.1
213.12860	1.5
213.16512	0.9
215.10747	1.2
217.12306	1.7
217.15926	0.7
219.13742	4.2
223.16975	1.0
225.11220	52.0
227.17993	1.1
231.04991	1.5
231.10182	1.3
235.14751	0.8
237.16545	1.4
241.12386	1.0
245.11832	1.0
251.18106	2.1
255.17459	3.2
257.72574	0.6
269.19028	4.8
273.18558	2.5
279.17441	3.4
287.16571	1.8
287.20120	2.6
297.18500	10.4
315.19559	24.0
316.19873	0.9
333.20627	11.5
423.22025	3.1
441.22913	1.1
537.44165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01862	1.0
55.05505	1.5
56.93991	0.3
57.03436	0.5
57.07062	0.4
59.05001	36.9
61.02901	0.3
65.03907	0.5
67.05511	2.2
69.03410	1.8
69.07065	3.1
70.15157	1.6
71.04967	0.9
79.05465	1.9
81.03435	1.8
81.07064	2.2
83.04964	0.7
83.08602	1.2
83.91249	0.3
85.02906	3.3
85.06545	0.7
87.00832	1.6
91.05475	7.3
93.07052	2.1
95.04944	0.7
95.08617	2.3
97.02891	2.9
97.06541	0.6
103.05448	0.7
105.01859	1.3
105.07030	22.6
107.04944	0.6
107.08584	3.1
109.02196	0.4
109.02837	2.0
109.06506	1.2
109.10131	1.0
111.04443	7.1
111.08086	0.5
115.05437	0.6
117.07028	3.2
119.08572	4.7
121.06490	0.4
121.10129	1.7
123.11690	0.4
127.03922	1.6
128.06197	1.0
129.07025	2.7
130.07780	0.4
131.04881	0.5
131.08571	13.1
133.06427	0.7
133.10115	1.9
135.04355	0.4
135.08043	4.8
135.11702	1.3
137.09587	0.4
141.06993	2.7
142.07799	1.9
143.08562	7.2
144.09290	1.0
145.02870	0.3
145.04993	0.5
145.10123	8.9
147.08083	0.5
147.11685	0.7
149.09634	0.5
153.06955	0.5
155.08551	17.5
155.09834	0.8
156.09328	1.4
157.10123	17.7
158.10840	0.6
159.11690	21.7
161.05968	0.5
161.09578	0.6
161.13271	1.6
163.03903	1.1
163.14819	1.7
165.06973	1.1
166.07707	0.4
167.07065	1.5
167.08589	2.4
168.09357	0.6
169.06465	0.6
169.10138	6.4
170.10840	0.7
171.08015	0.7
171.11693	14.7
172.12418	0.5
172.88162	0.3
173.09616	0.5
173.13255	3.3
175.14806	1.6
178.07838	0.4
179.08614	2.4
180.09338	1.1
181.10132	8.5
182.10870	1.3
183.08078	1.6
183.11691	6.0
184.12473	0.4
185.09601	1.2
185.13269	6.0
186.13948	0.4
187.11234	0.6
187.14764	0.8
191.08589	0.4
191.10666	0.5
192.09375	0.5
193.10114	3.0
194.10919	0.9
195.07982	0.5
195.11696	8.2
196.12454	1.9
197.09592	2.1
197.13261	4.8
199.11209	1.0
199.14796	1.2
203.10719	0.5
203.14339	1.6
205.10143	1.4
205.12033	0.3
205.15895	1.5
206.10863	0.8
207.11646	1.1
208.12471	0.9
209.09689	1.1
209.13248	7.0
210.10297	0.6
210.13864	0.4
211.11520	2.0
211.14809	17.4
213.03979	0.4
213.16379	20.5
215.10698	0.5
217.10266	0.6
217.12245	0.9
217.15849	0.5
219.11661	1.0
220.12456	0.7
221.13257	3.6
222.14023	1.2
223.11224	1.3
223.14828	1.2
224.11989	0.4
225.12753	0.7
225.16417	1.1
227.10728	0.4
227.17943	8.3
229.19536	0.5
231.11687	0.6
231.34608	0.3
235.14848	6.2
237.12616	0.8
237.16376	18.2
239.14348	3.8
246.13962	0.9
249.12851	0.5
251.14252	0.7
251.17989	3.2
253.15857	3.5
255.17435	34.7
256.17764	0.6
257.15344	6.9
261.16376	4.0
269.19067	1.1
271.16833	1.0
273.15280	0.6
273.18472	5.7
279.17419	11.6
297.18500	15.3
315.19547	100.0
316.20004	1.1
341.95258	0.4
545.23602	0.9
563.24976	0.6
581.21606	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	581.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01862	0.9
55.05501	1.7
59.05001	0.9
61.02858	0.4
65.03922	0.6
67.05505	19.1
69.03429	5.8
69.07057	1.7
69.36494	2.5
69.36923	2.2
71.04987	1.3
79.05490	3.0
81.03423	5.3
81.07064	10.0
83.04987	0.8
83.08602	0.7
85.02901	4.1
85.06557	0.9
87.00830	4.5
91.05463	5.9
93.07040	8.0
95.04962	1.8
95.08607	15.0
97.02283	0.9
97.02893	15.5
97.03515	0.8
97.06540	1.3
98.20700	0.9
99.04471	1.3
105.01865	2.9
105.07021	9.1
107.04955	1.4
107.07869	0.7
107.08596	12.3
109.02885	8.0
109.06523	4.1
109.10155	100.0
110.10470	0.7
111.04429	2.2
111.08083	2.0
113.05984	1.1
117.07019	1.5
119.08580	26.0
121.06513	2.0
121.10145	4.7
123.04426	0.6
123.08076	4.0
123.11722	2.2
125.05970	0.7
127.03912	7.3
128.06242	1.0
129.07021	0.6
131.08580	2.0
133.06499	2.0
133.09103	0.8
133.10127	17.4
135.08043	4.3
135.11711	2.9
137.06013	0.8
137.09616	3.2
137.13255	3.9
143.08548	2.9
145.04973	1.0
145.06502	0.7
145.10175	2.6
147.08049	12.6
148.08699	0.7
149.09650	1.2
151.11179	2.3
157.10150	1.9
159.11720	1.9
161.09607	11.7
161.13261	0.6
163.07619	1.1
163.11197	1.8
165.09120	15.1
165.10509	0.8
171.11780	0.6
173.13249	1.0
179.10667	9.4
183.11708	0.6
185.09607	0.7
187.11258	0.8
189.09111	9.3
191.10799	0.7
199.11197	1.1
199.14815	0.6
201.40596	0.5
207.10172	15.6
207.12051	1.0
209.11754	0.8
213.03940	1.1
219.13914	0.9
225.11217	54.5
227.04219	0.5
231.05055	1.5
233.15388	0.7
255.17393	0.8
258.84317	0.5
269.19025	2.0
273.18518	1.1
279.17474	0.7
287.20126	1.1
297.18530	3.2
315.19522	9.0
333.20602	7.7
333.24249	0.8
355.51837	0.5
423.22195	0.7
529.97479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03949	3.9
55.01851	2.3
55.05497	3.2
57.07088	0.8
59.05003	0.9
65.03947	1.6
67.05168	1.2
67.05503	20.0
68.99796	0.8
69.03426	7.3
69.07071	3.7
69.63821	5.8
70.53078	0.7
71.04992	2.0
73.02891	0.8
73.06540	0.9
79.05483	5.1
81.03419	7.6
81.07056	14.2
83.04976	2.7
83.08614	1.8
85.02904	6.0
85.06552	1.2
87.00829	6.1
89.03934	0.9
91.05479	8.1
93.07038	11.8
95.04964	2.9
95.08603	21.5
97.02892	18.2
97.06522	6.4
99.04449	3.0
99.08052	1.3
105.01875	4.0
105.07021	16.0
107.04960	2.6
107.08583	16.4
109.02876	8.5
109.06512	3.8
109.10151	100.0
110.10531	0.8
111.04424	7.3
111.08086	1.7
113.06017	2.9
117.03348	0.9
117.07016	2.5
119.04959	1.0
119.08578	31.0
121.06497	3.1
121.10136	8.5
123.04459	0.8
123.08055	6.0
123.11713	3.7
125.05988	1.9
127.03909	10.4
128.06223	1.1
129.07031	1.1
131.08549	4.3
133.06490	23.2
133.10124	21.1
135.04405	2.9
135.08069	3.8
135.11690	4.9
137.05966	2.0
137.09613	3.7
137.13245	4.3
142.07755	1.3
143.08533	4.7
145.02890	1.8
145.04955	1.6
145.06511	1.6
145.10127	7.0
147.08035	13.7
147.11664	2.3
149.05959	1.2
149.09654	3.0
151.07507	1.0
151.11127	2.2
155.08479	1.0
157.10138	5.7
159.08067	1.2
159.11670	5.3
161.06091	0.9
161.09604	11.6
161.13260	1.3
163.03903	14.8
163.07480	1.0
163.11200	3.4
165.09117	15.6
167.07040	2.3
167.08418	0.8
167.10645	0.9
169.10094	1.1
171.11739	2.8
173.09601	2.1
173.13278	3.0
179.10690	9.9
181.04945	0.8
181.10141	1.0
183.11661	1.4
185.09644	2.9
185.13274	1.6
187.11214	2.8
187.14882	1.1
189.09088	10.0
191.10667	1.2
195.11761	1.4
195.75450	0.8
199.11211	3.4
199.14842	1.8
201.12779	1.6
203.10638	1.5
204.59166	0.8
205.12254	1.4
207.10144	14.1
209.11647	1.6
209.13353	1.2
211.14810	1.5
213.03909	1.7
219.13802	4.5
225.11214	52.1
231.05005	1.4
231.13593	1.0
241.12274	1.6
251.18008	1.9
255.17494	2.0
269.18982	2.5
271.20612	1.1
273.18536	2.1
279.17526	2.3
287.16626	1.7
287.20099	3.9
297.18436	10.7
315.19540	24.3
333.20581	12.6
411.09030	3.8
423.21600	1.9
441.23047	0.9
545.23596	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01844	1.3
55.05492	1.7
59.04998	34.9
67.05504	4.7
69.03408	2.8
69.07063	4.5
71.04990	1.4
71.11589	1.7
71.11935	1.2
79.05515	4.1
79.65230	0.9
81.03407	2.3
81.07046	5.3
83.04972	1.3
83.08601	1.9
84.81856	0.8
85.02901	5.3
86.87463	0.8
87.00809	1.6
91.05486	9.9
93.07045	3.9
95.08600	2.9
96.54763	0.8
97.02884	3.3
97.06546	2.2
100.11217	0.9
105.07024	22.8
107.04995	1.2
107.08576	3.6
109.02862	2.3
109.06522	1.1
109.10149	2.3
111.04421	5.0
111.08034	0.9
115.05434	1.1
117.07014	3.0
119.04915	2.0
119.08582	4.1
121.06511	1.0
121.10162	1.9
125.05966	1.0
125.65851	0.8
127.03912	2.9
128.06212	1.8
129.06987	3.1
131.08572	13.4
133.06491	1.1
133.10117	2.6
135.08038	4.4
135.11665	1.8
137.05991	1.8
141.06955	2.5
142.07755	1.7
143.08551	7.5
145.04961	1.2
145.10126	7.4
147.04428	5.5
147.08138	0.9
147.11691	1.8
148.04788	1.2
149.05986	1.3
149.09572	1.1
153.07118	1.1
155.08548	17.0
156.09285	1.7
157.10127	20.3
159.11690	23.2
161.06053	0.9
161.13211	2.5
163.03908	2.8
163.14764	1.7
165.05460	0.9
165.06882	1.2
165.09015	1.2
167.07027	7.3
167.08463	1.8
169.10095	5.4
171.11699	12.9
173.13252	3.4
175.14801	2.0
179.08580	2.4
180.09340	1.1
181.04893	1.9
181.08618	1.4
181.10117	9.0
183.08102	1.2
183.11662	6.3
185.09720	1.3
185.13289	6.4
193.08595	1.0
193.10100	2.3
195.11676	7.3
196.12503	1.6
197.09605	1.7
197.13217	4.2
199.11131	1.3
199.14764	1.4
203.14363	1.4
205.10178	1.0
205.15860	1.6
207.11786	1.4
209.07951	1.1
209.13243	4.8
211.11447	1.7
211.14815	15.8
213.16377	17.5
217.12152	1.0
219.11748	1.8
220.12555	1.1
221.13295	4.0
223.11206	2.2
223.14818	1.4
225.16412	1.0
227.17990	8.0
231.04938	0.9
235.14775	4.4
237.16370	19.1
239.14264	4.0
251.17963	3.4
253.15939	4.0
255.17421	34.3
257.15372	8.1
261.16403	3.4
271.17355	0.8
273.18512	6.9
279.17377	10.5
297.18460	18.2
297.21637	1.6
315.19547	100.0
316.19858	1.2
403.63736	0.8
551.19672	1.1
581.21838	14.9
581.35260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03980	1.9
55.01889	0.8
55.05534	2.1
57.07093	0.7
59.05013	1.6
65.03967	1.7
67.01878	0.9
67.05527	1.1
69.03457	2.2
69.07069	2.7
71.04991	13.5
71.39814	1.0
73.06552	3.7
77.03962	0.5
79.05488	4.8
81.03416	4.7
81.07056	17.9
81.07509	1.0
83.05021	2.2
85.02918	2.9
87.00852	0.7
89.03913	5.7
91.05482	2.5
93.07043	9.4
95.01339	0.7
95.05000	1.6
95.08605	3.2
97.02891	8.9
97.06573	0.9
99.04478	1.2
105.07055	0.8
107.04991	1.8
107.08596	8.7
109.02892	5.8
109.10153	3.0
110.03675	1.4
111.04457	6.1
117.03387	5.5
117.07015	0.5
121.02879	1.5
121.10213	0.5
125.06006	2.0
127.03918	7.6
131.08495	1.0
132.74017	0.5
135.04427	15.9
135.11693	18.5
137.05994	0.6
145.02849	11.1
145.03981	0.8
145.06548	0.5
151.03941	4.2
153.05490	6.8
153.12747	75.6
163.03905	100.0
165.05612	0.7
167.07056	3.2
177.05522	0.8
181.04958	5.9
181.06444	0.6
191.07147	0.6
198.06795	0.6
209.08064	0.7
209.75143	0.6
210.50806	0.5
215.06969	0.6
235.07417	0.8
235.16742	0.6
240.43892	0.5
245.07982	1.0
246.06815	0.5
252.07674	2.1
266.80676	0.6
267.10025	0.5
277.08493	0.6
295.09476	1.6
307.07889	2.1
323.09186	6.4
337.10553	0.7
339.11948	0.7
355.07599	0.7
355.11716	8.7
367.11499	1.3
380.35712	0.5
393.07758	0.8
411.09229	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	581.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.3
53.03930	0.7
55.01872	0.3
55.05497	0.3
57.03407	0.4
57.07060	1.1
59.04988	0.4
63.02367	0.5
67.05508	0.4
68.99790	0.4
69.03426	1.9
69.07040	0.6
69.53259	1.7
71.01280	0.2
71.04984	2.5
77.03921	0.3
79.05492	2.1
81.03414	2.7
81.07050	3.1
83.04985	0.5
85.02904	2.1
85.70549	0.2
87.00827	0.9
89.03911	6.6
91.05469	1.1
93.07042	2.6
95.04965	0.8
95.08595	1.4
97.02885	3.9
97.06524	2.1
98.21474	0.5
99.04436	0.5
105.01833	0.5
105.07031	1.7
106.04150	0.3
107.04960	2.2
107.08591	3.1
109.02864	3.2
109.06509	0.4
109.10158	1.3
111.04439	0.6
111.08080	0.3
115.03914	0.6
117.03375	8.4
117.06995	0.4
119.04910	0.4
119.08565	1.2
121.06485	0.3
123.04405	0.3
123.08051	0.4
127.03915	2.9
129.01837	0.6
129.06984	0.5
131.08548	0.6
133.06477	0.5
133.88493	0.2
135.04410	18.6
135.11676	3.5
137.13223	0.8
143.08548	0.6
145.02840	11.9
145.10097	0.9
147.02837	0.3
147.08046	1.0
151.11081	0.4
153.12737	14.3
153.84180	0.3
155.08560	0.4
159.08038	0.4
159.11685	0.4
163.03896	100.0
164.04295	0.5
165.12700	1.3
167.07018	2.4
171.08041	0.3
173.09593	1.4
175.07544	0.4
181.05019	1.7
186.05461	0.4
189.12669	0.5
191.10637	0.7
201.12939	0.3
205.12067	0.2
207.13821	0.5
213.03929	0.4
215.14255	0.3
219.13820	0.3
231.05069	0.4
243.13783	1.6
261.14835	1.0
279.15836	0.5
307.08112	0.7
347.14883	0.5
365.15936	1.2
383.16895	1.3
393.08127	0.3
411.09244	9.2
427.08926	0.3
484.71021	0.3
563.20929	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1506
Annotation	Kaempferol 7-glucosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
50.31213	0.2
53.03931	0.2
55.01856	0.4
57.03424	0.6
61.02925	0.8
68.99822	0.2
69.03434	2.3
69.48369	0.5
69.48794	1.0
71.04964	0.3
73.02907	0.3
78.65996	0.1
81.03424	0.8
85.02908	5.7
87.04442	0.5
88.86282	0.1
91.03940	0.2
97.02890	2.0
99.04441	0.3
103.14502	0.1
105.07021	0.2
107.04926	0.2
109.02854	0.7
109.28052	0.1
111.00790	0.6
112.54436	0.1
121.02866	1.3
127.03928	1.2
133.02831	0.2
133.04948	0.2
137.02309	0.3
145.04945	0.9
145.06462	0.3
153.01840	2.3
157.06514	0.3
161.06006	0.2
165.01819	1.3
166.27090	0.2
167.07047	0.5
171.04460	0.1
172.91019	0.2
173.05974	0.2
181.04955	0.5
183.02863	0.5
185.05934	0.5
213.05501	0.9
228.03790	0.2
231.06512	0.4
241.04877	0.5
258.05457	0.8
258.07968	0.2
259.06012	0.2
262.55832	0.2
265.10855	0.2
269.04483	0.2
287.05499	100.0
288.05820	1.1
373.13690	0.2
419.09732	12.9
420.10065	0.3
581.20648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1505
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
55.01856	0.2
56.13133	0.2
57.03441	2.6
59.04990	0.6
60.17725	0.2
61.02916	0.5
68.99794	0.3
69.03435	8.1
69.59322	1.4
70.06580	0.3
73.02907	0.3
75.04467	0.4
79.05473	0.2
80.67744	0.2
81.03411	0.6
81.97141	0.2
85.02911	7.9
86.09696	0.2
87.04468	4.6
97.02274	0.3
97.02899	5.6
98.20771	0.4
103.76058	0.2
107.04890	0.2
109.02880	0.5
110.07304	0.2
111.00822	0.4
115.03932	5.9
121.02892	2.1
127.03933	0.8
133.02888	0.3
133.03999	0.3
133.04980	5.5
137.02333	0.7
141.31273	0.2
145.02887	0.2
145.04945	0.8
145.06557	0.3
147.04349	0.3
153.01834	2.5
157.06424	0.4
163.03824	0.3
165.01807	1.3
165.73299	0.2
167.07018	0.3
183.02881	0.4
186.08192	0.2
213.05444	0.9
231.06558	0.5
241.04988	0.7
258.05222	0.7
259.05933	0.2
287.05515	100.0
288.05789	0.9
296.50928	0.2
299.05670	0.3
325.07367	0.2
329.06564	0.4
449.10797	0.3
504.63147	0.2
581.21765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.7
67.05513	9.5
69.07099	3.9
69.30179	2.2
69.30496	20.8
79.05478	3.3
81.07066	11.9
83.08640	2.1
93.07025	8.1
95.08600	11.1
99.44585	2.0
107.04987	1.8
107.08580	5.5
109.10162	4.4
121.10159	2.2
133.10136	2.5
135.11697	6.3
145.10115	3.5
163.11208	8.9
179.58292	2.0
181.12213	3.1
191.45993	1.6
227.12790	27.3
283.15378	37.5
337.27390	100.0
409.82745	1.9
530.39044	4.0
545.38312	62.2
548.39459	3.2
580.39648	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52145	2.7
54.76020	2.5
55.01870	6.2
55.05511	20.9
57.03445	14.5
57.07066	5.2
58.05587	2.1
58.26265	2.1
67.05164	3.8
67.05502	42.6
69.07074	15.6
70.83716	5.0
70.84088	4.7
71.04992	4.0
79.05502	16.9
81.03410	6.1
81.07059	50.5
83.01347	7.4
83.04982	8.8
83.08622	15.0
91.05479	12.0
93.07041	25.1
95.04958	6.0
95.08610	35.8
97.06532	5.7
97.10167	5.1
99.04446	2.9
105.07011	7.6
107.04967	4.0
107.08573	14.4
109.06502	5.4
109.10165	13.7
117.06969	3.8
119.08564	10.5
121.10130	12.8
123.08071	5.1
123.11731	4.7
125.09624	3.3
125.10672	2.5
131.08620	3.2
133.10129	4.5
135.11685	7.6
145.10132	10.3
147.11697	4.6
149.13306	2.9
153.12714	3.1
161.13245	3.0
163.11209	18.9
165.57852	2.9
181.12187	2.7
209.11719	5.4
220.41702	2.7
227.12769	6.5
245.22614	4.3
263.23633	3.9
283.15417	77.1
337.27368	100.0
545.30566	3.5
545.38452	65.4
580.38800	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	580.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.05485	0.3
57.36979	0.1
60.25205	0.2
63.78688	0.2
69.03421	0.8
70.06587	1.3
70.61837	0.2
70.62183	0.6
79.05468	0.4
81.03421	0.3
81.07058	0.3
85.02904	0.4
86.09702	0.4
87.04435	0.2
91.05492	0.4
95.04962	0.6
95.08646	0.2
97.02886	100.0
98.03242	0.3
99.04442	0.2
100.11225	0.2
105.03384	6.5
105.04475	0.3
105.07024	0.3
109.02891	0.2
109.10149	0.3
114.05513	0.3
119.04948	0.7
119.08516	0.2
120.08131	0.2
123.04431	0.2
127.03951	0.6
129.10268	0.2
132.86234	0.2
133.10188	0.2
147.04391	2.3
163.03860	0.3
165.05411	0.2
167.07051	0.3
179.48322	0.2
181.04872	0.2
182.42427	0.2
195.06398	0.2
196.68378	0.2
210.14879	0.3
219.06497	3.2
223.60522	0.2
237.07567	5.1
237.09962	0.3
243.06578	0.2
289.75064	0.2
302.96893	0.2
351.52945	0.2
381.11832	0.4
383.11392	0.4
408.00797	0.2
580.20984	0.8
580.44232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3896
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03936	5.0
55.01870	9.5
55.05270	2.9
55.05516	42.7
57.03433	19.9
57.55081	3.1
65.03929	5.8
67.05508	94.9
69.03427	3.2
69.07066	35.4
71.01326	3.1
71.04981	13.5
71.61559	5.0
73.02920	4.0
79.05072	3.7
79.05500	73.8
81.03409	12.2
81.07060	100.0
83.05000	13.7
83.08631	28.8
83.22706	2.7
83.30982	2.7
83.51653	2.6
85.02893	5.9
85.06537	7.9
91.04959	4.7
91.05483	51.7
93.07045	75.2
94.07391	3.0
95.04964	16.9
95.08050	5.4
95.08614	76.3
97.06519	12.2
97.10178	21.8
99.08090	3.1
105.07041	43.2
105.96103	3.0
107.04960	6.9
107.08598	41.0
109.06506	11.0
109.10162	60.8
111.04444	5.6
111.08115	7.0
113.09666	3.7
117.07063	17.4
119.08572	40.9
121.06527	7.6
121.10151	49.1
123.08090	7.7
123.11687	9.4
125.09598	14.5
128.06236	4.8
129.07028	11.1
131.08572	29.9
132.44322	3.0
133.06491	3.2
133.10135	31.4
135.08070	7.0
135.11720	20.3
136.97450	3.0
137.09648	3.2
137.13260	6.2
139.11211	18.5
143.08594	11.6
145.10121	29.3
146.10486	2.9
147.11742	18.8
149.09641	9.4
149.13263	8.4
155.08609	5.3
157.10069	8.3
159.11702	20.7
161.09613	5.2
161.13269	12.9
163.11203	16.9
163.14856	6.7
165.12689	3.6
167.14412	2.9
169.10092	4.1
171.11681	8.6
173.11740	8.3
173.13313	12.6
175.11211	6.2
175.14937	4.4
177.12769	3.5
179.14391	3.4
181.12222	4.6
183.11603	3.4
185.13263	5.8
187.14838	4.1
189.11230	6.2
191.10707	3.9
193.12270	7.5
195.11691	3.7
197.13264	3.9
203.12714	4.5
209.11688	5.2
211.13289	8.5
215.14494	3.1
217.14281	5.1
227.12653	16.4
229.14346	15.6
235.16875	4.2
243.21115	3.6
245.13823	12.8
259.20679	3.7
261.22073	16.3
267.15854	6.8
275.20236	3.7
277.21548	8.4
289.21860	4.7
301.16516	18.8
301.21579	5.7
303.22931	4.5
305.21280	3.2
317.24649	8.0
327.23215	3.5
333.24115	4.2
335.25714	26.9
353.26758	5.7
363.25177	4.7
386.92038	3.2
389.27191	4.2
408.47385	3.6
433.31168	4.3
448.79758	3.2
451.31937	5.3
469.33041	14.1
487.33969	9.6
489.35855	21.0
515.36859	3.8
525.35449	9.8
543.36859	41.1
544.37000	3.0
561.37750	64.1
562.37524	4.3
579.38910	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3897
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
52.66855	2.2
53.03942	4.8
55.01864	5.9
55.05263	2.4
55.05513	33.4
57.03437	11.3
57.07066	3.6
59.04989	4.4
65.03929	4.4
65.71167	2.1
66.75628	1.8
67.05508	100.0
69.03427	4.0
69.07074	30.5
71.05005	10.6
71.60475	3.0
73.02905	2.2
76.16286	1.9
79.05061	3.2
79.05499	60.3
81.03426	11.6
81.07063	87.3
83.04974	13.7
83.08623	22.0
85.02900	3.9
85.06557	6.2
87.04458	2.4
91.05484	44.7
93.07056	71.6
95.04974	15.8
95.08611	57.5
97.06532	13.0
97.10172	15.9
103.05367	2.2
105.07038	37.6
105.34917	2.5
107.04967	10.1
107.08601	40.0
109.06511	10.4
109.09460	3.4
109.10162	48.8
111.04430	7.1
111.08092	6.8
111.28138	2.1
117.07035	15.2
119.08584	33.7
121.06525	4.5
121.10143	46.1
123.08083	9.6
123.11704	8.2
125.09633	11.0
129.07010	7.1
131.08575	26.2
133.06543	3.0
133.10133	22.6
133.23183	2.4
135.08035	4.2
135.11693	20.3
137.08615	2.3
137.09628	5.8
137.13275	2.9
139.11186	7.7
141.07028	2.6
142.07777	2.8
143.08560	9.8
145.10136	23.4
147.08101	4.6
147.11687	18.5
149.09628	9.7
149.13278	7.5
153.12753	4.6
155.08542	5.2
157.10135	8.7
159.11720	12.3
161.13266	8.0
163.11189	17.4
163.14819	3.4
165.12820	3.1
166.40271	2.1
169.10178	6.2
171.11713	6.8
173.09566	6.0
173.11728	7.5
173.13245	10.4
175.11224	3.2
175.14809	3.3
181.12239	7.1
183.11719	5.5
185.11626	2.3
185.13300	4.2
187.14873	5.8
189.11240	3.2
191.10699	7.4
193.12280	5.7
197.13277	3.6
204.88815	2.5
209.11771	7.8
211.14925	4.1
217.14331	2.6
223.14453	2.3
227.12692	10.4
229.14420	13.3
245.13788	14.2
259.20627	4.2
261.19260	2.2
261.22134	14.1
265.14371	7.3
267.15921	4.4
277.21698	5.9
283.15494	13.0
284.57047	2.2
289.21637	4.6
299.23596	2.8
301.16473	17.4
301.21695	2.4
303.23126	4.7
315.23062	3.9
317.24762	4.3
333.24261	7.3
335.25839	28.4
351.25427	5.1
353.92203	2.3
363.25235	6.7
429.25058	2.7
433.31097	4.0
451.32440	5.4
469.32858	6.8
487.34140	6.2
489.36194	10.2
505.34293	3.0
515.37415	3.4
525.35614	9.4
543.36798	30.9
561.37958	51.0
579.38934	28.5
580.39294	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01869	7.3
55.05510	15.3
56.96538	2.8
57.03424	8.0
57.07060	5.2
62.52589	2.3
62.58774	2.0
65.03945	3.6
67.05505	56.5
69.03428	22.1
69.07067	29.0
70.06583	2.9
70.32803	9.0
71.04992	23.1
71.56707	2.3
79.05493	37.7
81.03416	21.1
81.07055	68.0
83.04980	5.5
83.08624	12.2
85.02898	35.0
85.06544	12.8
87.00836	9.7
91.05470	34.2
93.07043	61.4
95.04971	12.0
95.08601	48.9
97.02888	11.1
97.06503	12.3
97.10167	13.5
98.21453	2.6
99.04434	4.1
99.08096	17.9
103.05465	2.8
104.10619	2.2
105.01878	7.1
105.07022	20.8
107.04978	4.9
107.08599	42.0
109.02875	15.8
109.10151	26.4
111.04470	5.4
111.08088	5.0
113.09686	3.4
117.07000	7.3
119.04916	14.9
119.08559	17.9
121.06492	3.4
121.10136	61.4
123.11702	7.6
125.09634	10.9
127.03915	28.6
131.04907	4.2
131.08562	11.8
133.10135	15.5
135.08083	5.2
135.11685	44.6
137.05977	8.1
137.09601	3.5
139.11153	13.8
142.12274	6.4
143.08514	4.0
145.04921	4.6
145.06560	2.6
145.10129	11.1
147.04414	50.8
147.11694	11.0
149.09608	6.2
149.13260	15.4
151.11180	3.0
157.10132	5.0
159.02934	2.9
159.08064	4.8
159.11678	7.6
161.05965	7.9
161.13268	8.0
163.03873	13.0
163.07642	2.5
163.11154	5.0
165.09210	2.9
165.12740	3.0
167.07034	13.5
167.08296	2.6
167.10756	3.5
171.11652	7.0
173.11723	7.4
173.13251	6.5
177.05531	2.9
177.12743	3.1
181.12363	4.3
185.11729	7.7
185.13228	5.3
187.07529	4.4
189.11287	2.8
191.07016	3.6
195.13852	5.8
200.04640	4.0
201.14877	3.3
203.12817	8.1
213.03944	6.5
215.07053	9.1
231.04927	6.3
240.09296	3.1
241.19525	4.7
259.09674	10.7
259.20544	20.1
277.19315	2.3
277.21616	89.6
295.22690	100.0
297.12839	2.4
303.05048	4.9
303.08426	4.3
313.23703	28.6
319.22424	3.0
331.24921	14.5
403.24435	3.1
415.14169	5.7
417.11642	3.7
419.63995	2.6
507.25842	3.4
519.28558	2.7
525.27173	5.6
542.72284	3.0
579.20636	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	579.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05511	10.5
57.03437	9.4
57.07077	4.4
57.48088	0.6
64.72999	0.6
65.03938	1.5
67.05504	45.8
69.03434	0.8
69.07066	14.1
69.45994	4.9
71.04995	1.6
71.08630	1.9
79.05054	1.3
79.05492	15.9
81.03418	10.4
81.07058	54.0
83.04977	1.8
83.08619	8.8
85.02910	0.8
85.06567	2.1
85.10194	1.0
91.05473	10.8
93.07045	14.8
95.04981	2.3
95.08604	45.9
97.06534	2.3
97.10162	4.1
98.98466	98.3
99.04473	1.6
99.08086	2.3
104.95659	0.5
105.07026	6.9
107.08587	10.1
109.02872	6.9
109.06556	0.8
109.10154	19.4
111.08085	2.5
111.11742	1.0
113.09638	0.8
116.99505	3.6
119.08596	6.8
121.10144	10.1
122.30190	0.6
123.08070	1.1
123.11706	8.2
125.09634	0.7
127.03940	1.3
131.08534	0.6
133.10130	6.6
135.11673	5.5
137.09642	1.2
137.13220	4.7
139.11090	0.7
140.01097	1.4
141.12836	0.7
145.10179	0.7
147.11726	5.4
149.13232	4.6
151.11125	1.2
151.14839	3.7
155.01039	100.0
161.13245	4.6
163.03809	0.8
163.14838	3.7
165.12798	0.9
165.16444	2.0
173.02173	1.4
175.14832	3.3
179.17969	0.7
189.16391	1.8
196.03740	1.1
203.18033	0.9
225.01588	0.8
243.02715	2.3
245.22655	13.5
261.22144	1.2
263.23691	31.6
271.06030	3.0
289.87610	0.7
299.05298	2.0
317.06311	16.1
319.26370	2.4
335.07425	0.8
337.27371	86.6
338.27655	1.8
407.27899	1.8
425.29126	5.8
473.20123	0.6
513.06512	0.7
561.28082	5.8
579.34882	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
53.33592	0.7
55.01873	1.3
55.05509	12.6
57.03189	0.8
57.03437	9.4
57.07082	4.5
65.03925	1.5
66.28974	0.7
67.05507	48.3
69.03423	1.7
69.07069	14.4
71.04986	1.6
71.08621	2.6
71.57916	1.1
79.05494	15.3
81.03423	8.9
81.07057	54.5
83.04986	1.9
83.08624	9.1
85.02901	1.4
85.06530	1.8
86.09736	0.8
91.05486	13.1
93.07045	18.4
95.04964	2.8
95.08608	47.5
97.06520	4.0
97.10169	5.7
98.98466	93.9
99.04428	2.0
99.08066	1.9
105.07030	7.7
107.08602	9.8
109.02876	6.7
109.06493	1.3
109.10157	21.0
111.08090	2.2
111.11734	0.9
113.09649	0.8
116.99504	3.2
119.08594	8.5
121.10151	10.7
123.08051	1.1
123.11709	7.5
125.09631	1.2
127.03925	1.1
127.11221	0.8
131.08618	1.6
133.10130	8.6
135.11693	6.8
137.09621	1.0
137.13281	4.1
140.01088	2.2
141.12807	1.0
145.10117	1.3
147.11688	5.4
147.52173	0.7
149.02351	1.1
149.13214	4.3
151.11160	0.9
151.14816	3.2
155.01039	100.0
155.14316	0.8
161.13263	5.0
163.14853	4.5
164.66917	0.8
165.16389	2.4
173.02136	1.7
173.13281	1.2
175.14796	3.9
179.14354	1.0
184.07365	1.3
189.16371	1.3
193.05013	0.8
196.03651	0.9
203.18088	1.0
243.02654	3.0
245.13799	0.9
245.22644	13.3
261.22186	1.9
263.23694	28.9
271.05997	2.8
299.05334	2.1
306.26669	0.7
317.06326	15.2
319.26611	1.3
337.27362	83.8
407.27701	1.7
417.23929	1.1
425.28949	6.7
561.28607	4.0
561.36737	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81781	1.2
53.03941	3.9
55.01863	4.1
55.05510	19.9
57.03444	10.3
57.07074	8.6
65.03946	3.1
67.05503	93.8
69.03433	5.4
69.07070	21.3
71.04984	3.3
71.08621	1.8
71.58561	2.2
73.02914	4.7
75.04501	1.7
79.05494	45.1
81.03412	11.5
81.07057	100.0
83.04990	3.4
83.08617	15.9
85.02901	5.1
85.06540	3.6
91.05479	26.3
91.23624	1.4
93.07043	56.9
95.04964	5.8
95.08606	85.4
97.02918	2.1
97.06535	5.9
97.10154	7.9
98.98465	93.9
99.04446	3.7
99.08086	2.6
105.07027	19.3
107.08595	32.6
109.02879	13.2
109.10152	46.5
110.03663	2.3
111.04445	1.9
111.08083	3.1
111.11716	1.8
113.09643	1.3
116.12605	1.3
116.99525	2.5
117.06987	7.5
119.08573	19.7
121.10139	34.4
123.08096	2.0
123.11697	21.6
125.09614	2.7
127.03902	5.6
129.06999	1.6
131.08566	18.4
133.10123	17.2
135.11685	24.4
137.09624	2.3
137.13271	9.3
140.01071	2.0
143.08548	1.5
145.10095	14.1
147.11707	11.8
149.13255	21.9
151.11215	2.2
151.14835	6.2
153.12772	2.1
155.01039	89.0
157.10109	1.7
159.11688	14.9
161.13226	12.0
163.03886	1.4
163.14796	10.6
165.12807	1.9
165.16434	2.2
173.13251	10.9
175.14822	5.6
177.16411	6.5
179.14282	3.3
187.14909	7.0
189.16399	2.2
191.00136	3.2
200.98883	1.6
201.16473	1.7
205.15970	1.5
215.18008	1.8
233.22658	3.0
243.02786	1.5
243.21063	26.0
245.22639	15.7
261.22144	92.1
263.23709	30.0
267.79703	1.4
279.23172	3.2
317.06323	10.7
319.26337	1.8
335.25699	11.9
337.27356	73.9
353.26871	79.2
369.24249	2.1
377.26953	4.1
380.95340	1.4
407.28299	1.4
425.28900	5.5
433.20615	1.6
443.28073	2.7
451.21616	2.7
469.22382	2.1
487.23630	1.8
525.67651	1.5
561.27844	10.6
579.35583	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34885	1.3
53.03949	3.3
55.01867	2.2
55.05506	13.9
57.03442	5.4
57.07071	4.1
65.03939	1.8
67.05502	58.1
68.32675	1.1
69.03429	3.1
69.07057	11.2
69.92804	2.2
69.93207	4.8
71.04987	1.8
71.08640	1.5
73.02912	3.3
79.05489	29.4
81.03421	7.3
81.07052	70.1
83.04966	1.9
83.08624	7.7
85.02891	3.2
85.06551	2.1
85.10130	1.3
91.05475	17.0
93.07037	44.8
95.04948	3.6
95.08600	56.2
97.02827	2.3
97.06544	2.2
97.10159	4.8
98.98463	29.9
98.99123	1.6
99.04464	2.7
99.08103	2.5
105.07024	14.6
107.08589	30.1
109.02871	8.4
109.06493	2.7
109.10151	34.7
110.03650	2.3
111.04433	3.7
111.08134	1.8
113.09645	1.4
114.48122	1.1
117.07014	8.7
119.08572	15.0
121.10140	28.5
123.08141	1.5
123.11702	17.3
127.03900	3.1
127.11213	1.0
129.06978	1.4
131.08562	16.7
133.10112	12.9
135.08159	1.2
135.11693	23.3
137.09656	2.0
137.13222	7.2
139.11237	1.5
145.10139	14.7
147.11681	12.9
149.09662	1.5
149.13255	17.2
151.11142	1.4
151.14835	3.8
155.01028	34.1
159.11685	12.9
161.13232	11.2
163.14830	12.9
165.12820	1.7
165.16353	1.3
173.13266	11.1
174.49278	1.1
175.14851	4.7
177.12863	1.3
177.16327	5.0
179.14331	2.2
187.14835	8.9
191.00090	2.9
201.16362	2.4
205.15950	2.6
214.88348	1.2
233.22668	3.3
243.21068	31.0
245.22705	5.4
261.22125	100.0
262.22559	1.3
263.23660	12.2
271.06183	3.4
279.23352	2.6
285.22028	1.2
303.23032	1.5
317.06442	4.3
335.25818	13.5
337.27347	26.7
337.31149	2.1
353.26855	85.8
354.27127	1.2
369.24197	2.1
370.93942	1.3
377.26718	1.3
407.27676	1.1
443.28098	2.1
451.21387	3.3
469.22293	1.9
525.52667	1.4
543.26404	1.3
561.27374	9.8
579.28162	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01867	4.4
55.05513	17.0
57.03435	10.5
57.07069	5.7
60.96130	1.5
61.02906	1.4
65.03939	3.3
67.05506	87.6
68.51014	1.6
69.03423	5.5
69.07069	18.3
71.04984	5.2
71.08625	1.7
71.59532	2.5
73.02927	3.8
79.05055	3.4
79.05494	41.9
81.03424	8.7
81.07060	87.4
83.04985	4.2
83.08633	14.6
85.02899	4.7
85.06536	3.3
86.49624	1.5
91.05473	24.9
91.23836	1.4
93.07050	56.5
95.04970	8.0
95.08609	67.2
97.06533	5.9
97.10163	6.6
98.97849	3.4
98.98468	39.6
99.04446	3.3
99.08122	2.2
105.07035	26.7
107.08596	38.8
109.02908	10.3
109.06535	4.1
109.10157	44.1
110.03662	4.3
111.04481	2.7
111.08084	4.5
117.07008	12.9
119.08582	23.0
121.10150	35.5
121.29060	1.6
123.08087	3.7
123.11721	20.6
125.09624	3.7
127.03937	4.8
129.06998	2.5
131.08574	25.0
133.10126	16.5
135.08055	1.8
135.11697	27.0
137.09612	2.9
137.13286	8.8
139.11191	2.5
143.08646	2.7
145.10124	17.8
147.11699	16.5
149.02412	2.2
149.09628	2.9
149.13260	23.4
151.11124	2.4
151.14841	4.9
155.01042	38.1
157.10139	3.5
159.11694	19.6
161.13277	13.7
163.11174	2.5
163.14813	15.8
165.12743	3.6
165.16335	2.5
166.01595	1.6
171.11804	3.0
173.11894	2.8
173.13263	17.7
175.14876	6.0
177.16400	3.8
179.14371	2.8
185.13309	2.4
187.14803	10.0
191.00186	3.2
193.04987	2.7
201.16351	1.7
205.15816	2.1
209.11656	1.6
233.22572	2.5
240.22704	2.0
243.21083	34.7
243.23370	2.9
245.22603	6.0
261.22162	100.0
262.22507	1.7
263.23724	12.8
279.23279	2.6
287.23447	1.9
299.05402	2.0
303.23248	3.6
317.06390	3.6
317.24557	2.5
335.25845	15.7
337.27374	30.0
349.87961	1.6
353.26880	86.9
361.84958	1.6
369.24274	2.1
377.26846	3.1
389.27103	2.1
409.49838	1.7
443.28003	2.1
451.21329	2.2
451.31995	2.6
469.33035	1.9
487.34036	1.9
489.35590	2.7
543.36816	5.0
561.28302	10.5
561.37665	9.5
579.28479	3.0
579.38245	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	579.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.1
55.01867	3.7
55.05512	16.7
57.03425	7.2
57.07072	4.5
65.03908	2.8
66.42703	2.0
67.05506	75.3
69.03430	4.5
69.07068	19.0
71.05004	4.0
71.60226	3.3
73.02914	4.0
79.05498	41.3
81.03407	5.0
81.06580	3.9
81.07062	79.6
83.08615	10.6
85.02907	4.1
85.06546	3.3
85.25130	2.2
87.12829	2.0
91.05477	27.6
93.07048	50.4
95.04980	7.0
95.08607	61.3
97.02880	3.7
97.06548	5.3
97.10155	8.2
99.04439	5.2
99.08070	3.5
105.07034	21.5
105.89548	2.5
107.08585	34.5
109.02868	4.7
109.06484	4.0
109.10157	34.9
111.04430	6.2
111.08141	2.6
111.54002	2.2
117.07008	12.3
119.08579	23.6
121.06480	2.9
121.10144	34.7
121.70913	2.4
123.08061	2.9
123.11712	21.1
127.03922	3.9
131.08575	30.0
133.10115	17.4
135.08041	2.6
135.11687	25.3
137.09573	2.5
137.13249	7.3
143.08539	3.9
145.10133	17.8
147.11649	14.9
149.09593	4.3
149.13254	15.9
151.11166	3.6
155.00916	2.5
157.10115	3.7
159.08063	2.7
159.11681	17.2
161.13281	10.4
163.14830	14.1
173.13278	20.5
175.14848	3.9
177.16426	6.2
187.14806	9.6
190.99922	2.9
197.13184	3.0
201.16385	5.4
205.15872	4.1
227.12759	4.0
229.14394	2.2
233.22710	3.0
243.21094	29.3
261.22153	100.0
275.23663	2.3
279.23166	4.0
303.23215	4.5
315.23294	3.0
317.24969	3.1
333.23874	2.7
335.25702	25.4
341.01358	2.4
353.26920	99.9
368.15164	2.4
389.26779	3.4
443.27817	2.4
469.22064	2.9
543.36633	13.9
561.27246	6.9
561.37512	13.7
579.38129	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	579.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01877	3.0
55.05497	2.1
55.29067	0.8
56.96553	1.1
57.03440	1.2
61.02916	1.1
67.05495	2.9
68.99765	0.9
69.03431	21.7
69.07069	1.6
69.28311	0.9
69.28713	6.7
70.06571	0.8
71.04995	3.3
73.02896	0.6
79.05480	4.0
81.03419	19.5
81.07065	6.3
83.01350	2.5
83.04967	0.8
83.08595	0.9
85.02416	1.3
85.02906	14.7
85.06543	0.8
85.07632	0.8
87.00821	4.7
91.05486	6.7
93.07049	9.5
95.04974	1.8
95.08607	8.4
97.02896	9.7
97.06530	1.3
99.04469	6.3
103.05482	1.4
105.07036	13.3
107.04974	1.5
107.08599	11.5
109.02887	10.7
109.06532	5.8
109.10153	3.7
111.04475	3.1
111.08086	4.1
114.90292	0.7
117.07019	1.5
117.23520	0.8
119.04956	1.2
119.08582	19.2
120.08074	0.8
120.48335	0.6
121.06528	2.7
121.10142	16.2
123.08066	11.0
123.11705	2.7
124.08876	0.9
125.05968	0.7
125.09632	55.5
127.03918	100.0
128.06216	1.1
131.08577	2.2
133.06483	2.1
133.10132	16.9
135.08058	1.8
135.11705	2.7
137.05968	1.8
137.09616	2.6
139.11166	0.6
143.08563	2.4
145.04970	5.9
145.06509	0.9
145.10124	3.0
147.04445	1.5
147.08051	8.6
147.11676	0.7
149.05954	0.7
149.09583	1.5
151.07576	3.2
151.11137	1.5
157.10147	1.0
159.11714	2.1
161.09627	11.9
163.11238	2.5
165.09122	12.2
167.07033	2.1
167.10614	0.9
169.10182	1.1
171.08081	0.7
171.11757	0.9
173.09615	1.5
173.13263	1.3
175.11192	2.1
179.10670	9.4
181.04939	0.8
183.11716	1.0
185.13309	0.9
187.06073	2.5
189.09113	9.4
191.07108	0.9
195.11687	0.8
197.09450	0.7
199.11343	1.1
201.12787	1.0
207.10182	20.8
211.11209	0.9
213.03935	10.0
215.10675	0.8
219.13762	1.1
225.11203	32.6
225.16327	1.1
227.14304	0.7
229.15872	1.6
231.05006	35.7
231.13786	0.8
243.17665	0.7
253.15932	1.2
267.17639	1.0
271.14172	0.9
271.16846	4.1
280.14420	1.4
285.18509	1.6
289.17966	4.5
291.12320	1.0
295.16922	1.3
303.19537	1.4
313.17993	5.3
331.19043	21.6
333.13287	2.7
349.20102	6.1
351.14413	4.6
356.88904	0.6
357.15186	0.9
437.14499	1.6
455.15421	1.5
457.22269	3.8
475.23282	9.8
493.24326	1.1
506.20392	0.7
517.24127	0.9
543.22748	3.0
547.19812	1.3
561.23291	6.4
578.41992	1.0
579.24188	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	579.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
54.44635	0.5
57.03440	0.6
57.07071	0.6
67.01842	0.6
67.05490	1.5
68.99786	0.7
69.03427	3.2
70.13535	2.7
71.04995	1.2
79.05486	1.6
81.03413	5.2
81.07053	27.2
84.89854	0.6
85.02902	3.3
87.00815	1.6
89.03920	4.5
91.05475	1.0
93.07040	1.0
95.04967	0.7
95.08601	4.0
97.02888	5.7
99.04451	1.8
103.05450	0.6
105.01852	0.8
105.07038	0.7
107.02085	0.5
107.08617	0.8
109.02876	9.3
117.03369	15.5
121.10188	0.9
124.55824	0.5
127.03912	8.0
134.03651	0.8
135.04411	2.0
137.13255	10.4
145.02841	47.6
149.05995	7.4
163.03879	1.4
177.05463	100.0
178.05734	0.8
186.05479	2.6
195.06483	6.4
213.03865	1.2
231.04988	0.6
281.44275	0.7
285.07547	0.9
321.09607	2.2
332.11694	0.6
352.67606	0.7
425.10767	29.9
427.26358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2076
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
51.02388	0.2
53.03933	0.5
55.01859	0.6
55.42717	0.2
56.57025	0.2
57.03429	0.2
61.02919	0.3
65.03922	0.6
67.05504	0.5
69.03429	1.6
70.06604	0.3
70.67148	0.5
70.67502	0.4
72.08151	0.2
78.04720	1.4
79.05495	1.2
81.03400	0.8
81.07058	0.2
82.04191	0.5
85.02909	2.9
86.09711	0.3
87.04504	0.2
91.05458	1.0
95.04961	1.0
96.05701	0.2
97.02890	1.4
97.06549	0.3
103.05455	0.9
106.04169	1.0
107.04974	1.3
108.17836	0.2
109.02854	0.4
110.03684	0.4
111.04472	0.4
115.05451	3.0
117.06226	0.3
117.07021	5.4
119.04947	0.2
119.08608	0.5
121.02879	0.2
123.04417	4.4
124.05221	2.4
125.06049	0.5
127.03920	0.7
127.05481	0.5
130.04123	0.2
133.06517	0.4
134.03639	0.2
135.04442	0.3
137.05978	0.6
142.02589	0.6
143.04974	0.4
145.06496	8.7
145.07646	0.4
147.04366	0.6
147.08026	0.5
151.03886	0.8
152.04703	1.5
155.06004	1.9
161.05937	0.4
167.07043	100.0
168.07347	0.6
171.06520	1.6
173.05989	19.4
175.07578	0.5
181.04965	22.0
191.07037	0.4
195.06409	0.3
201.05525	0.6
204.85661	0.3
205.06732	0.4
205.08629	4.0
220.01993	0.3
221.08231	0.3
222.26341	0.2
233.08087	4.9
235.09642	4.5
287.05566	0.5
298.05383	0.2
319.80640	0.2
373.13629	0.3
376.14841	0.3
387.14395	13.5
399.14203	0.3
417.15469	10.4
579.20746	59.8
580.21124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.73635	0.3
58.28060	0.3
67.68385	0.3
69.03419	1.4
69.28996	3.8
71.26353	0.3
81.03419	0.9
85.02903	1.8
87.00821	0.9
96.33924	0.3
97.02881	2.3
99.04487	0.7
105.01836	0.5
109.02841	0.8
117.12810	0.3
118.06535	0.8
127.03915	100.0
128.04227	0.7
132.08011	0.4
144.08147	0.7
145.04968	1.2
146.05994	2.9
175.01025	0.4
188.07042	4.1
205.09706	1.7
209.61113	0.3
217.32300	0.3
224.94891	0.3
231.05000	0.5
375.09155	1.8
525.06262	0.4
607.56372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62385	1.0
71.58471	1.7
81.19173	0.9
87.96499	1.1
93.07065	1.7
107.08578	1.8
120.96643	11.3
127.04011	1.0
142.63741	0.9
147.04469	1.5
149.02122	10.9
156.97523	1.0
159.32462	1.2
174.98570	3.7
176.94638	1.8
185.02847	1.8
185.04250	2.8
193.12057	3.3
199.39830	0.9
210.65004	1.1
211.13016	5.1
241.03212	1.1
264.99564	2.5
266.04068	1.2
273.08295	3.1
291.09741	100.0
292.09897	1.3
309.09531	14.5
311.07407	70.5
329.06662	2.2
417.11636	32.5
418.11786	2.3
579.16040	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	579.2072
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03922	0.4
55.01857	0.6
55.05494	0.3
56.96553	0.4
61.02906	0.3
65.03926	0.9
67.05505	0.5
69.03430	1.8
70.06573	1.2
70.95264	0.9
71.04971	0.3
72.08130	0.6
78.04689	1.7
79.05462	0.9
81.03394	1.0
81.07051	0.4
83.04959	0.3
84.04482	0.3
84.08083	0.4
85.02904	2.9
86.09682	0.8
91.05468	1.8
93.03394	0.4
93.07024	0.3
95.04935	1.1
97.02875	1.3
97.20190	0.3
103.05447	1.1
105.06969	0.4
106.04145	1.0
107.04930	1.5
109.02845	0.6
110.03656	0.5
111.04417	0.5
112.60786	0.3
115.05443	2.5
117.07008	5.5
119.08594	0.3
123.04414	5.2
124.05211	2.0
125.05972	0.3
127.03886	0.8
127.05432	0.5
131.04895	0.6
133.06413	0.4
134.99680	0.3
135.04370	0.6
137.05972	0.6
142.02544	0.4
145.06479	9.4
147.04376	0.4
147.08011	0.8
149.06012	0.4
151.03860	1.0
152.04631	1.8
155.05998	2.1
161.05951	1.0
163.03874	1.1
167.07030	100.0
168.07445	0.5
171.06532	1.1
173.05978	20.0
175.07552	0.7
177.05486	0.5
179.07045	0.3
181.04947	22.3
189.05290	0.3
191.07005	0.6
201.05418	1.1
203.06828	0.3
205.08604	3.9
219.01839	0.4
221.77010	0.3
224.61586	0.3
233.08070	4.7
235.09642	4.4
262.35992	0.3
271.07239	0.3
295.38873	0.3
310.08786	0.3
323.09399	0.4
324.44598	0.3
355.11832	0.4
385.83740	0.3
387.14349	13.8
388.14560	0.4
417.15390	10.3
535.53546	0.3
579.20703	61.2
580.21112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10504	2.4
53.03941	8.3
53.94009	2.6
55.01872	7.0
55.05507	41.4
57.03189	2.4
57.03439	17.0
57.07064	3.8
58.24121	2.4
61.15997	2.5
62.15292	2.6
63.32352	2.8
65.03940	6.6
67.05503	81.6
68.96522	3.2
69.03420	3.4
69.07071	30.1
69.35092	25.8
71.04984	13.6
79.05492	58.6
81.03416	22.4
81.07056	100.0
83.04984	12.2
83.08620	20.6
85.06541	11.7
91.05479	54.5
93.07038	69.4
95.04981	21.5
95.08601	67.0
96.71026	3.2
97.06552	10.1
97.10147	17.6
98.21490	5.5
99.08082	5.7
105.07016	55.2
107.04971	5.0
107.08593	46.1
109.06496	7.8
109.10153	33.0
111.08076	3.9
117.07005	18.9
119.08589	43.9
121.06476	6.3
121.10152	32.9
123.08081	4.9
123.11707	9.5
125.09624	17.0
129.06990	11.3
131.08560	35.7
133.10114	29.1
135.08044	5.9
135.11688	15.7
137.09647	3.8
137.13263	5.4
143.08595	13.5
145.06458	3.5
145.10124	27.5
147.08098	4.0
147.11647	26.3
149.09657	8.5
149.13271	9.3
155.08531	7.6
157.10112	18.2
159.11668	19.7
161.09593	3.7
161.13239	11.5
163.11177	6.2
163.14905	3.7
165.12773	4.3
169.10202	8.4
171.11676	10.8
173.13266	14.4
175.11240	5.3
175.14842	7.9
181.10191	4.3
183.11749	9.1
185.13274	11.5
187.14857	7.3
189.11237	10.3
189.16438	3.4
191.14458	3.1
193.12291	6.0
195.11742	4.3
197.13289	6.8
199.14847	7.2
207.11966	3.2
209.13246	4.2
211.14848	6.0
223.14841	2.7
227.12724	19.3
253.08524	3.2
261.22189	10.7
267.15768	20.9
285.22256	5.9
289.21716	4.0
299.14853	3.6
299.23676	3.8
301.22034	3.6
301.25311	10.7
303.23340	3.7
333.24362	3.8
335.25827	24.5
359.25739	4.2
363.25211	6.4
417.31464	5.7
435.27243	3.9
435.32578	16.5
453.33652	16.5
471.34668	9.5
476.55817	2.9
509.36249	6.2
519.36737	3.5
527.37347	84.0
545.38342	67.9
559.39740	7.9
577.40985	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	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03468	6.6
55.05503	23.0
55.22175	4.9
57.07080	7.9
65.03954	8.1
67.05520	34.1
69.03427	20.4
69.07068	27.5
69.25986	54.9
69.26406	9.2
75.02171	5.7
75.69935	5.5
76.08680	5.1
79.05493	37.4
81.03415	16.1
81.07061	100.0
83.08621	25.1
85.02912	11.2
85.06530	9.5
85.38615	5.6
88.67189	5.6
91.05474	29.6
93.07048	53.9
94.54268	5.2
95.04975	7.7
95.08607	61.2
97.02892	14.6
97.06483	7.1
97.61997	4.8
98.20705	12.3
99.08093	9.2
105.07030	37.4
105.07654	5.2
107.08601	42.2
109.02934	7.7
109.06504	6.5
109.10161	25.4
111.08076	17.7
111.11722	8.2
117.07066	7.4
119.08608	35.6
121.06547	6.8
121.10149	34.9
123.08105	7.1
123.11702	18.3
127.03892	9.6
129.06998	6.3
131.08569	13.1
133.10133	34.3
135.11662	31.4
137.05841	5.9
137.13252	24.3
143.08536	8.3
145.10124	20.5
147.11707	26.5
149.13268	15.5
153.12781	13.1
157.10089	8.5
159.11688	16.4
161.13257	13.4
165.09108	7.2
165.12781	19.9
171.08125	5.4
173.13338	10.6
175.14963	7.7
177.09193	6.5
177.12769	7.0
179.14362	6.6
185.13234	6.5
185.34813	6.4
195.13860	9.1
199.14824	6.9
203.14285	10.8
221.15327	6.5
227.14391	9.6
245.15405	25.0
261.22247	20.0
263.16397	27.1
281.17654	6.6
302.29544	5.1
329.24899	5.9
335.25775	8.0
358.18475	5.5
395.33264	5.9
397.34772	7.8
405.26212	6.5
415.35733	8.1
523.37482	8.0
541.39270	35.1
541.46387	7.6
559.39941	33.7
577.41461	26.1
577.50458	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	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03057	1.9
53.03935	5.9
55.01870	6.2
55.05516	39.9
57.03435	14.5
57.07070	3.9
59.05006	4.0
65.03941	5.2
67.05509	94.7
69.03449	4.1
69.07069	29.7
69.71853	16.1
71.04985	19.3
72.16560	1.9
79.05495	64.4
81.03418	30.2
81.06580	4.9
81.07059	100.0
83.04974	8.9
83.08622	21.9
85.06540	10.2
91.04903	2.3
91.05482	62.5
93.07046	73.2
95.04974	23.2
95.08607	68.7
97.06517	10.5
97.10177	18.3
105.07037	56.6
107.04941	5.3
107.08597	46.3
109.06510	7.2
109.10152	33.1
111.04423	2.0
111.08084	8.1
115.05424	2.8
117.07026	22.1
119.08575	55.5
121.06496	5.3
121.10144	31.0
123.08083	6.9
123.11720	8.7
125.09627	15.0
128.06198	4.2
129.07014	17.7
131.08563	39.5
133.10133	36.2
135.08032	6.4
135.11688	19.8
137.09647	4.9
137.13289	4.0
139.11177	3.0
141.07016	3.3
142.07745	3.5
143.08537	13.3
145.10129	28.7
147.08020	3.5
147.11708	27.1
149.09598	8.3
149.13258	11.6
151.11179	3.8
155.08557	6.1
157.10153	19.5
159.11676	23.0
160.17729	2.0
161.09645	2.9
161.13237	14.7
163.11238	4.4
163.14851	3.8
169.10141	12.1
171.11717	17.1
173.09593	2.4
173.13219	16.0
175.11166	4.5
175.14774	5.4
177.12776	4.3
181.10173	4.0
183.11668	10.1
185.13272	7.2
187.11162	2.5
187.14825	8.8
189.11238	8.4
189.16425	3.3
193.12219	10.6
195.11775	4.3
195.13757	3.0
197.13283	8.1
199.13231	2.3
199.14897	6.7
201.12889	3.3
201.14729	2.6
201.16487	5.1
205.16112	2.5
209.13344	3.6
211.14929	4.1
212.32176	2.3
213.16470	4.7
223.14897	3.9
227.12779	20.0
239.16367	5.3
243.21141	2.8
259.20682	4.3
261.22092	11.1
267.15918	26.0
271.20712	2.4
283.24237	3.4
285.22168	5.9
287.23642	5.7
289.21689	5.7
301.20099	3.0
301.25238	13.4
303.23178	6.2
305.24692	3.4
329.24515	2.7
333.24210	4.4
335.25909	19.3
339.23145	2.6
353.24771	4.8
359.25687	4.4
361.27829	2.7
363.25171	7.8
417.31506	6.9
435.27451	4.5
435.32614	18.7
453.33667	17.2
471.34927	12.2
506.79309	2.8
509.36264	7.1
519.36639	4.5
525.61469	2.7
527.37347	87.8
528.37488	3.3
545.38373	67.1
546.38721	3.9
559.39905	14.2
577.40173	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	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	43.0
57.03443	7.4
57.07042	7.0
64.87556	5.3
66.04020	6.7
67.05510	92.4
69.07063	25.0
71.60526	9.6
77.13533	6.1
79.05498	53.3
81.03383	9.7
81.07053	100.0
83.04993	15.6
83.08617	22.5
85.06567	6.5
91.05465	62.0
93.07043	72.6
95.04978	15.6
95.08615	64.9
97.06512	8.4
97.10165	28.0
105.07036	58.1
107.04971	9.3
107.08618	49.5
109.02885	6.9
109.10159	32.7
111.08101	7.8
117.07038	18.4
119.08580	41.8
121.10138	32.2
123.11689	15.7
125.09634	26.3
127.56871	5.7
131.08543	36.2
133.10127	49.2
135.08070	8.0
135.11671	37.1
137.13190	7.3
143.08562	18.7
145.06555	7.3
145.10141	26.0
147.11671	25.6
149.09598	12.3
149.13261	12.6
157.10107	17.4
159.11679	18.2
161.09656	19.0
161.13306	10.6
163.11264	7.4
169.10202	7.9
171.11743	14.6
173.13258	19.4
179.10666	9.5
185.13318	11.6
189.09048	8.1
189.11237	11.4
217.73944	5.6
225.11098	12.3
227.12718	22.8
243.20970	9.9
259.20514	11.6
261.22092	24.5
263.21069	5.4
273.21957	8.0
287.23618	7.1
289.21585	7.5
299.15048	34.4
315.22913	9.9
333.24121	7.5
335.25806	27.3
421.30966	8.0
467.31534	16.0
485.32272	17.6
513.35303	11.6
515.36890	8.0
523.34180	12.5
531.36951	14.9
541.35175	78.8
559.36322	93.0
577.37634	38.1
603.91901	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	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
55.01877	6.8
55.05508	46.5
57.03424	9.2
57.07066	6.7
67.05170	7.6
67.05508	92.3
67.05872	6.2
69.03446	5.3
69.07069	19.3
69.99767	21.3
71.04991	10.3
78.21937	4.3
79.05486	63.6
81.03410	6.2
81.07056	96.8
83.04982	15.8
83.08604	26.1
85.06528	7.0
87.16699	4.8
91.05466	46.2
93.07044	63.7
95.04958	8.3
95.08606	55.8
97.06535	12.2
97.10171	17.3
99.00772	5.7
105.07033	50.2
107.04993	6.0
107.08586	44.8
109.02903	10.5
109.06542	7.6
109.10139	35.1
111.04440	5.6
111.08076	9.0
115.05305	5.7
117.07011	16.5
119.08561	35.0
121.06455	5.4
121.10146	38.6
123.11720	15.2
125.09605	24.4
129.07025	11.6
130.99796	5.1
131.08601	32.7
133.10138	49.6
135.08058	10.6
135.11687	23.8
137.09656	8.8
139.07614	5.7
141.06912	4.7
143.08583	17.8
145.10117	29.3
147.11731	11.6
149.09694	7.6
149.13254	13.5
151.11172	14.1
157.10098	10.9
159.08112	5.3
159.11693	21.3
161.09641	14.5
161.13240	12.9
163.11116	5.9
169.10103	8.3
171.11728	11.2
173.13300	18.0
175.14793	7.6
179.10603	5.5
181.10130	7.6
183.11639	5.9
185.13268	10.2
187.11296	6.6
187.14873	11.6
189.09169	9.7
189.11279	10.1
197.13275	5.6
199.14865	7.8
213.16327	5.9
221.15160	5.3
225.11215	16.3
227.12799	17.2
243.12350	5.6
245.13754	5.1
253.53012	5.9
259.20328	5.8
261.22211	21.9
269.13925	5.9
277.21481	9.9
279.23206	7.2
283.15338	5.6
287.23648	7.4
299.14905	31.0
315.23203	15.3
331.22443	6.2
335.25821	16.4
421.31107	6.3
449.30353	14.4
457.33258	8.8
467.31360	27.6
485.32690	19.5
513.35516	22.5
515.37604	7.5
523.34100	7.9
531.36670	19.5
541.35291	77.1
559.36249	100.0
577.38403	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01875	7.7
55.05260	4.2
55.05509	47.7
57.03437	10.7
57.07069	6.3
57.86944	2.7
67.05506	87.5
67.87060	2.6
69.03430	4.0
69.07059	25.7
69.52032	23.5
71.04991	5.0
79.05488	49.1
81.03419	5.3
81.07059	100.0
83.04957	9.3
83.08623	31.2
85.06543	4.8
91.05481	39.7
93.07049	55.9
95.04974	11.4
95.08611	63.5
96.48997	2.5
97.02920	3.4
97.06548	9.2
97.10178	28.4
99.00833	7.8
99.08099	2.4
101.88448	2.5
105.07034	43.6
107.04965	6.9
107.08598	45.5
109.02876	8.9
109.10159	41.5
111.04453	5.6
111.08080	9.7
117.07025	17.1
119.08574	29.9
121.06501	7.1
121.10172	22.4
123.08104	5.8
123.11704	18.2
125.09628	20.5
128.06216	3.3
129.07019	11.3
131.08574	24.8
133.06483	2.7
133.10133	47.2
135.08047	6.9
135.11696	24.5
137.09558	4.0
137.13191	3.5
137.71762	2.7
139.07454	3.5
143.08540	17.2
145.06496	3.5
145.10150	22.9
147.08069	3.0
147.11687	18.3
149.09656	4.9
149.13252	13.2
151.11189	12.9
153.09128	2.5
153.12827	3.1
155.08525	5.5
157.10048	11.9
159.11703	20.3
161.09610	18.3
161.13240	12.8
163.11188	5.8
163.14841	5.7
165.12749	2.6
169.10135	9.8
171.08067	3.6
171.11636	12.6
173.09668	4.0
173.13251	17.2
175.14955	3.5
179.10699	7.4
181.10083	4.6
181.12265	3.3
183.11662	7.4
184.66219	2.5
185.13220	5.9
187.14798	5.4
189.09164	5.0
189.11226	10.8
191.10611	2.9
195.11731	3.0
197.13290	4.4
199.14890	6.0
201.16394	2.8
207.10075	3.2
207.11823	3.4
217.16014	3.3
225.11201	16.3
227.12764	24.5
243.12317	8.2
243.20992	4.4
259.20599	11.0
260.52548	2.6
261.22122	22.1
277.21750	8.5
279.23264	8.7
281.13834	5.9
283.15231	4.5
287.23694	8.6
299.14911	38.6
299.20172	3.4
301.16306	4.4
313.21405	3.0
315.23129	13.2
316.12479	3.5
333.24249	4.4
335.25833	28.4
403.29883	3.4
421.30978	10.4
431.29346	3.4
435.31952	2.9
439.32123	10.8
449.30411	11.2
453.33975	2.7
457.33331	7.7
467.31729	22.5
475.34360	3.1
485.32547	24.3
503.33841	3.5
513.35773	23.8
515.37268	5.0
523.33881	4.1
527.36938	7.5
531.36865	20.2
541.35315	73.2
545.38098	7.0
559.36285	78.9
560.36383	3.7
577.23956	4.6
577.37195	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.4
57.03436	10.9
57.07075	28.4
67.05503	15.0
69.07066	5.6
71.08633	21.2
71.40942	2.6
71.41258	2.2
79.05494	6.7
81.03419	61.0
81.07056	16.3
83.04982	3.0
83.08623	14.9
85.10184	14.5
91.05475	11.5
93.07041	4.3
95.04975	12.7
95.08607	10.9
97.10168	4.7
100.41402	1.8
105.07053	8.4
107.04967	2.7
109.10147	6.1
111.08082	3.2
119.08592	6.2
121.10155	5.6
123.08064	2.2
129.07014	6.0
131.08536	5.5
147.08017	2.4
147.11697	5.9
149.09534	2.2
157.10191	4.9
174.84929	2.0
175.11192	5.0
193.12259	18.8
239.23845	3.1
249.15012	2.7
267.15918	100.0
313.27374	89.2
314.27789	2.5
411.86664	2.2
427.38391	2.3
457.19788	2.5
505.38885	84.6
576.50885	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	577.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15370	4.2
51.81932	4.9
55.05517	48.0
57.03448	8.2
57.07067	6.9
61.48870	4.0
66.70457	4.3
67.05506	100.0
69.03423	5.2
69.07069	28.0
70.16576	22.2
79.05493	53.6
81.03413	6.2
81.07063	95.7
83.05006	8.1
83.08610	30.8
91.05476	53.0
93.07043	57.7
95.04947	11.0
95.08616	66.2
97.02929	5.5
97.06529	8.3
97.10181	32.5
98.20815	5.4
99.00825	9.2
105.07030	50.4
107.04987	13.2
107.08586	46.5
108.05587	4.3
109.06528	8.2
109.10156	49.2
111.08118	7.5
117.07033	20.3
119.08591	41.8
121.10159	32.7
123.11718	15.4
125.09635	21.4
127.03924	4.8
129.07008	12.3
131.08548	30.3
133.10144	43.4
133.15642	5.0
135.08015	5.3
135.11703	29.9
137.13254	9.9
143.08566	18.8
145.06471	5.5
145.10117	31.8
147.11696	17.3
149.02377	6.0
149.13275	18.9
151.11290	5.9
157.10121	11.1
159.11684	22.8
161.09656	10.7
161.13289	10.7
163.11188	5.4
163.14789	8.6
169.10123	8.3
171.11688	13.0
173.13300	16.4
175.11130	5.6
175.14827	7.9
183.11679	6.0
185.13261	8.3
187.14867	9.1
189.09372	7.0
189.11264	15.0
195.11713	5.0
197.13367	6.3
199.14801	5.4
225.11275	13.7
227.12816	16.9
259.20605	11.9
261.22113	29.8
279.23343	6.1
281.13852	7.6
287.23636	8.6
299.14890	32.1
308.91574	5.0
313.28635	4.4
315.23215	18.9
317.24753	6.1
333.24124	7.3
335.25867	31.5
382.88800	4.6
401.73138	5.8
421.31351	9.7
439.32086	8.3
449.30115	12.2
457.32928	11.8
467.31558	19.9
485.32587	22.2
513.35559	18.9
515.37091	9.4
519.36896	7.0
523.34058	6.2
527.37341	11.5
531.36768	20.4
541.35339	73.3
545.38318	10.3
559.36115	82.6
577.12695	5.6
577.37390	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	13.1
57.03431	15.5
57.07077	40.0
67.05507	20.6
69.07062	11.8
69.26774	30.5
69.27181	8.1
71.08634	31.6
74.87656	3.1
79.05484	15.6
81.02972	6.9
81.03417	75.3
81.07051	26.8
83.04970	5.8
83.08617	24.0
85.10174	19.2
89.06045	4.2
91.05463	21.2
93.07029	7.2
95.04962	21.4
95.08594	21.8
97.06507	3.5
97.10165	6.6
98.20691	7.4
103.42780	3.5
105.07027	13.2
107.04945	5.9
109.06566	4.6
109.10152	8.4
111.08019	5.0
119.08560	14.6
119.25767	3.5
121.10138	6.1
129.07021	7.2
131.08572	7.6
133.10139	5.6
136.78676	4.4
147.08163	4.6
147.11626	7.5
149.09605	8.5
157.10045	8.9
165.21002	3.6
175.11176	7.5
193.12202	26.2
267.15909	100.0
278.08679	3.6
299.25623	6.3
313.27322	86.2
313.30649	5.7
321.28488	4.4
327.89096	3.7
365.99710	3.5
491.37851	4.1
505.38907	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.3
57.03448	11.9
57.07074	24.5
57.35135	2.1
60.69905	2.4
67.05515	13.2
69.07062	9.7
70.64623	8.7
71.08620	18.4
79.05499	8.2
81.03417	48.7
81.07064	18.1
83.05002	4.0
83.08629	13.9
85.10185	11.4
91.05486	10.9
93.07046	3.4
95.04977	12.0
95.08606	18.9
97.10180	3.9
105.07037	9.7
107.04958	3.1
107.08575	2.6
109.10155	9.0
111.08096	5.3
119.08572	8.0
121.10164	3.7
123.11716	4.2
129.07018	5.4
131.08565	7.9
133.10139	3.3
147.08134	3.2
147.11678	6.6
149.09642	3.3
157.10133	7.7
165.12816	3.6
175.11183	4.0
193.12257	21.0
216.55728	2.7
239.23911	4.0
267.15918	100.0
301.04224	2.5
313.27374	90.1
505.38876	61.3
576.50397	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	575.6128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52417	8.4
55.05497	35.8
57.07077	78.2
64.05142	8.0
67.05505	85.8
67.08456	8.2
69.07061	58.2
71.04994	16.4
71.08644	54.0
71.58217	13.4
72.05334	9.8
79.05474	21.3
81.07053	100.0
82.07388	9.8
83.06179	8.5
83.08608	46.2
85.10178	23.9
91.05456	8.7
93.07026	16.5
95.08612	93.4
97.10149	21.1
104.45549	8.4
105.06980	10.2
107.08566	10.0
109.10170	53.5
111.11716	27.2
123.11701	33.9
128.74887	7.7
133.10075	13.4
139.88976	8.0
143.83023	8.8
153.63582	7.8
155.89148	8.3
284.27856	8.5
415.57504	9.0
482.39157	56.1
540.43243	24.1
575.41943	12.1
575.50439	74.3
576.50354	17.1
578.49243	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	576.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
59.22202	0.3
59.74353	0.3
65.03936	0.7
67.01841	0.5
67.05489	0.5
69.03427	2.2
69.26643	1.3
69.27070	2.9
71.04980	0.6
74.77338	0.3
79.05477	0.5
81.03425	4.2
81.07070	0.4
82.01678	0.4
85.02922	1.0
87.00823	0.8
88.70589	0.3
91.05482	7.9
93.07066	1.7
97.02904	4.3
99.04446	1.1
107.08599	0.5
109.02882	6.0
109.10138	0.6
112.44012	0.3
119.04947	20.6
127.03910	4.7
135.11639	0.5
145.02832	1.1
147.04413	100.0
148.04771	1.2
164.09779	0.3
165.05482	5.4
170.36398	0.3
177.05457	2.3
191.03389	1.3
196.80745	0.3
212.61322	0.4
255.06473	1.7
267.15900	0.4
286.01617	0.4
291.08688	1.4
299.14978	1.0
377.08658	1.0
389.55634	0.4
395.09753	14.5
396.09964	0.5
429.47687	0.4
491.26178	0.5
592.51025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32374	1.4
53.03945	2.5
55.01872	5.0
55.05518	8.8
57.07070	3.8
57.82779	1.4
59.32483	1.9
64.25914	1.4
65.03934	2.2
67.05505	19.5
69.03418	2.8
69.07068	13.6
71.08609	2.5
71.59958	2.8
74.87986	1.4
76.86063	1.6
79.05504	14.9
81.03423	2.6
81.07056	28.4
82.07430	1.6
83.04973	5.5
83.08618	5.0
85.02899	2.0
89.03909	5.1
91.05477	22.3
93.07037	19.4
94.82327	1.5
95.04967	4.9
95.08613	25.7
97.06517	3.2
103.05482	5.7
105.07032	47.0
107.04964	6.7
107.08592	19.4
109.10170	18.9
111.04448	4.0
111.08089	1.9
112.45136	1.5
115.05450	3.8
117.03391	3.7
117.07013	5.6
119.04954	2.6
119.08575	47.1
121.06522	1.5
121.10147	13.6
123.04414	5.3
123.08058	6.1
123.11713	7.3
123.66293	1.6
129.07016	6.3
131.04947	4.7
131.08565	7.4
133.02850	2.0
133.06482	2.0
133.10141	26.4
135.04387	15.0
135.08069	2.1
135.11693	6.4
137.13284	1.9
141.07002	3.2
143.04901	2.5
143.08568	4.9
145.02834	8.1
145.06506	4.0
145.10149	5.8
147.04437	5.1
147.11685	47.6
149.05997	4.0
149.13261	3.6
151.14723	1.7
153.07016	2.8
155.08565	4.5
157.06451	3.5
157.10153	2.3
159.04459	3.9
159.11700	5.2
161.06007	5.2
161.13243	8.5
163.03905	100.0
163.11130	1.7
163.14813	3.3
165.05641	1.8
165.06935	3.9
167.08583	6.8
169.06682	1.9
171.08067	2.6
173.06006	10.4
173.13287	2.2
175.03886	2.0
175.07576	2.4
175.14862	2.4
177.05453	2.5
177.16434	4.5
178.07851	1.9
179.08548	3.6
181.06418	2.9
181.10066	2.3
183.08105	2.2
185.09644	5.5
185.13266	1.8
187.07590	5.8
189.16406	7.9
192.09293	2.1
193.06493	2.5
193.10187	2.7
195.08098	4.5
195.11652	2.3
197.09615	2.8
197.13206	2.4
199.07487	7.4
201.16422	4.4
203.17953	35.7
205.15872	6.5
207.08182	1.8
207.11725	4.4
207.17488	5.0
211.07643	3.7
213.09161	4.0
215.07022	1.9
220.08572	1.6
221.09633	1.8
225.09157	2.5
225.12770	10.1
231.10190	1.8
235.11136	4.1
239.10649	2.1
249.12950	2.3
253.12242	9.2
259.09433	2.3
267.13751	1.8
271.13312	7.9
275.20020	2.9
277.15656	1.6
281.11984	2.0
281.15277	2.8
305.18997	2.5
309.22195	4.5
319.20517	3.8
323.20120	2.1
337.21667	11.7
347.19888	3.9
355.22778	2.8
365.21259	11.9
383.22318	1.8
446.44388	1.6
477.28372	3.5
557.34753	3.5
575.28156	8.7
575.35950	3.8
575.50232	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
69.03423	2.3
69.64471	1.8
69.64884	5.3
78.04704	1.7
78.97110	1.1
79.05488	8.6
81.07034	1.6
85.02908	3.7
87.97806	1.0
91.05476	3.8
93.07066	0.9
93.82600	1.0
93.89783	1.1
95.04974	3.0
97.02910	2.4
103.05459	5.6
105.07040	4.4
106.04189	1.3
107.04961	17.4
109.02871	1.2
115.05470	2.8
118.04169	4.3
119.04808	1.1
121.06535	1.7
123.04448	5.4
124.05209	4.6
125.06025	1.4
128.06212	3.2
129.07028	1.4
130.04128	2.6
131.04944	12.7
132.05659	1.1
133.06511	5.8
134.03763	0.9
134.90427	1.1
137.05991	1.6
145.06473	1.4
146.03627	1.0
147.04451	2.7
148.05151	2.3
149.06012	1.2
152.04680	3.7
155.97658	0.8
156.05696	2.5
159.08055	3.6
160.05220	1.8
161.06009	7.9
167.07053	85.8
168.05684	1.0
168.07341	1.1
171.08060	3.5
173.05969	1.7
175.07541	2.6
176.04720	7.3
179.07037	1.4
179.08553	1.2
184.05240	6.0
187.07594	5.2
189.07014	2.3
190.07761	5.1
191.07039	55.3
192.07768	1.4
199.07555	29.3
202.07767	4.5
203.08615	6.2
204.09294	2.2
205.10196	2.0
207.08084	3.0
215.08604	9.3
218.07306	9.6
219.08095	4.3
221.09631	1.0
229.06563	3.1
231.08008	6.1
232.08826	5.4
233.09631	21.3
234.10152	1.7
235.07567	4.7
243.08070	3.1
244.08777	1.2
245.06160	1.0
246.06834	7.0
247.07573	6.7
249.09120	3.3
250.09985	3.5
257.05951	2.6
258.06772	2.2
259.07547	3.3
260.08334	6.9
261.09140	26.9
262.09763	2.7
263.07092	5.0
271.07596	1.7
273.09021	2.5
274.06268	7.7
275.07083	5.0
275.10675	1.6
276.07703	1.6
277.08539	5.0
278.09406	11.2
279.10059	1.7
287.07178	1.6
288.07761	2.9
289.08600	40.4
290.09366	12.4
291.06451	3.8
291.10049	4.1
292.07401	1.5
292.10776	1.8
293.11682	10.0
295.09494	1.0
303.10196	2.1
305.08182	1.8
306.08990	10.2
307.09677	3.8
321.11237	100.0
322.11777	6.4
323.09305	2.0
325.14252	2.7
338.11447	2.0
353.13861	60.7
354.14301	1.3
413.15552	1.5
434.20889	1.0
530.81543	0.9
575.19171	2.0
575.28168	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	575.1686
Annotation	Upunaphenol E
Peak:m/z	Relative Intensity
52.45028	0.4
52.53963	0.4
58.38556	0.4
61.98502	0.3
62.89674	0.3
64.07920	0.3
69.61372	2.9
71.04967	0.6
81.07043	0.7
91.05471	0.4
93.07010	1.7
98.21474	0.7
107.08574	1.3
108.69049	0.4
127.03869	0.4
130.60579	0.3
135.11668	1.3
135.26563	0.4
136.93059	2.4
154.94189	9.9
162.58133	0.4
172.95247	32.2
190.96297	20.4
195.96779	1.5
213.97955	0.7
223.00639	0.5
235.00536	0.4
237.02049	0.5
252.91866	1.8
253.01624	0.9
255.03026	2.3
270.93079	0.6
286.48587	0.4
289.05179	6.5
307.06454	40.2
316.86978	0.5
325.07257	61.1
326.07654	0.8
330.07913	1.2
343.08325	13.8
348.08786	4.7
369.01947	1.0
387.02731	3.6
405.03885	7.6
423.04950	1.0
428.05283	0.4
441.11469	1.0
459.18225	0.6
477.19797	0.6
539.14948	0.8
557.15991	5.1
575.16980	100.0
576.17017	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38228	0.5
53.03946	1.2
54.03414	0.5
55.33645	0.4
67.01851	0.9
67.05505	0.7
69.03417	1.8
71.04996	1.0
73.12919	0.5
79.05484	1.8
81.03429	4.1
83.05060	0.5
85.02908	2.1
89.03930	5.7
97.02892	4.0
98.21551	0.8
99.04441	0.9
101.96519	0.5
105.07004	0.6
107.04962	1.7
109.02889	5.4
117.03389	7.3
127.03914	3.8
128.84589	0.5
129.05478	0.6
135.04425	16.1
137.02238	0.5
137.05971	1.1
145.02844	9.7
148.42590	0.5
161.06001	0.9
163.03917	100.0
164.04356	0.6
167.08609	0.7
175.07526	1.5
177.09102	0.6
181.05011	2.9
186.05565	0.6
189.09126	1.3
195.08128	0.6
201.09076	0.6
214.06271	0.6
227.10739	0.7
231.10106	1.4
232.07269	1.0
255.10205	2.3
273.11234	6.1
307.08173	1.5
317.66989	0.5
393.08371	0.9
411.09259	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	574.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43436	0.7
55.01859	1.5
55.05512	6.1
57.03441	4.0
57.07076	36.7
60.10553	0.7
65.03909	0.8
67.05181	1.1
67.05505	13.6
69.07070	7.8
71.08631	29.6
71.58916	1.3
73.02913	1.6
75.04474	2.1
78.78712	0.7
79.05481	2.6
81.03406	1.9
81.07063	16.6
83.08620	10.8
85.02888	1.2
85.06546	0.9
85.09716	1.3
85.10185	17.1
85.10666	0.6
87.23881	0.6
91.05460	1.5
93.07028	2.3
95.08607	23.7
96.35658	0.6
97.06528	1.1
97.10172	6.1
97.48542	0.7
99.04450	1.2
99.11703	1.1
99.86579	0.6
105.07057	1.0
107.08596	1.2
109.02856	2.6
109.10155	12.5
110.03653	2.1
111.11719	1.3
119.08556	0.9
121.10127	1.1
123.10925	0.8
123.11693	4.4
125.13259	0.8
127.03915	1.8
135.11615	1.0
137.13228	3.3
147.11758	0.8
151.14908	0.8
162.81789	0.7
191.00105	1.2
200.28571	0.7
209.01064	1.0
221.22684	1.0
239.23703	26.8
257.24799	3.4
275.25900	0.9
298.27502	1.6
313.27365	100.0
314.27847	1.2
331.28439	21.5
354.78702	0.8
419.57901	0.9
445.71469	0.8
463.47461	0.7
465.25003	1.1
539.28644	2.6
573.48260	1.4
574.49335	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	574.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
55.05518	5.3
57.03433	3.4
57.07075	37.2
67.05500	13.4
69.03427	1.5
69.07070	7.7
69.35496	8.6
71.05009	1.1
71.08631	31.2
72.12601	0.8
72.30783	0.9
73.02904	1.2
75.04468	1.8
79.05494	2.1
81.03423	1.1
81.07056	18.3
83.04980	0.8
83.08617	13.2
85.02858	1.2
85.06542	1.2
85.10179	16.9
89.06040	1.6
89.61204	0.9
91.05471	1.5
93.07027	1.5
95.08607	24.6
97.10171	5.3
99.04465	2.1
99.11733	1.2
102.72619	0.8
105.07024	1.2
107.08589	1.3
109.02870	2.7
109.10155	14.4
110.03658	1.4
111.04414	1.1
111.11729	1.8
119.08565	1.1
121.10160	1.4
123.11691	5.5
127.03918	1.6
127.13030	1.0
137.13277	2.0
159.53328	1.1
191.00044	1.7
206.55479	0.8
221.22701	1.6
239.23686	26.0
257.24814	4.4
313.27356	100.0
331.28427	23.0
465.24988	1.4
500.72223	1.0
539.28711	3.1
574.48987	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
53.73488	0.3
55.05260	0.5
55.05516	9.0
56.96560	0.6
57.03436	0.7
67.05516	1.0
67.31838	0.3
69.03434	3.4
69.07070	0.8
70.06597	0.6
70.11761	0.7
70.12167	1.4
79.05498	1.4
81.03427	1.1
81.07051	4.0
83.04987	100.0
85.02911	1.9
86.09698	0.8
89.03918	1.6
91.05492	2.9
93.07064	0.8
95.04986	1.1
95.08627	1.5
97.02882	1.9
98.20810	0.4
98.97601	0.8
99.04478	1.1
101.06021	0.4
103.05421	0.5
105.07041	1.5
107.04963	16.1
107.08605	1.7
109.02852	0.4
111.04501	0.6
111.90828	0.3
117.03385	4.0
117.05480	0.6
117.07021	1.4
119.04941	3.9
119.08553	0.8
121.06550	2.2
121.07262	0.4
127.03927	0.7
131.04947	0.6
131.08580	0.9
133.06508	5.6
135.04420	0.6
135.08052	0.7
135.11642	0.6
137.05983	0.9
137.13309	0.7
138.77570	0.4
139.03938	0.5
145.02856	13.6
145.06503	11.1
147.03239	0.8
147.04416	15.9
147.08095	0.8
147.11720	1.1
148.04771	1.3
149.06015	1.6
155.55774	0.4
157.06482	1.0
159.08046	2.7
161.09636	0.7
163.03943	1.4
165.05460	0.5
171.08064	0.7
173.09656	1.1
177.05486	34.4
181.04961	0.5
183.35876	0.4
185.09657	0.9
186.05579	0.5
189.09142	0.5
189.12828	0.5
195.06551	1.2
199.11255	1.2
201.12764	13.9
215.10793	0.5
227.10760	0.9
255.17529	1.3
257.10214	4.6
275.11420	1.3
283.16962	11.3
299.10550	0.6
300.02493	0.4
307.10709	0.9
311.11267	12.1
321.09714	1.9
365.10364	0.4
381.14578	1.0
421.14120	0.5
451.82358	0.4
573.24139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	51.7
57.07075	20.2
59.05740	3.7
60.27774	3.7
60.59946	3.4
67.05164	6.4
67.05502	66.0
69.06718	5.7
69.07069	73.1
71.08627	13.5
71.59853	4.1
79.05480	28.3
81.07059	80.7
83.04988	7.5
83.08620	60.9
85.06530	7.1
85.10174	4.3
87.04460	12.1
91.05465	25.9
93.07046	44.5
94.00841	4.0
95.04938	5.5
95.08609	85.1
97.06530	11.0
97.10165	56.3
99.08057	5.6
105.07030	23.4
107.08585	32.2
109.10155	42.1
111.08087	8.7
111.11712	25.4
113.09615	5.4
113.59885	3.2
119.08583	32.9
120.77657	3.1
121.10131	46.0
123.08099	5.0
123.11701	18.0
125.09622	9.9
125.13256	7.6
131.08569	5.8
133.10126	28.0
135.11702	41.8
137.09601	6.3
137.13217	10.7
139.11179	12.2
145.10139	7.2
147.11661	22.4
149.13239	7.5
151.11174	10.4
151.14799	9.6
153.12752	11.4
157.12225	8.5
161.13257	24.2
165.12747	11.5
169.12157	4.5
171.13805	4.7
175.14796	8.4
179.14395	4.7
189.16216	3.5
197.15239	5.3
217.19516	57.6
235.20573	100.0
239.23637	4.0
253.21629	98.7
256.26306	11.2
261.22147	6.1
267.23169	10.7
271.22772	28.7
285.24231	79.5
294.85654	4.0
313.27521	4.7
317.24576	7.1
470.66092	3.9
573.35150	5.5
573.48718	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
54.99279	0.4
55.01873	6.7
55.05490	0.8
55.75441	0.4
60.55891	0.3
65.03927	1.2
65.49291	0.4
67.05519	1.8
69.03412	1.2
69.07074	2.7
70.06572	0.4
70.98410	1.1
71.08596	0.4
79.05495	17.2
81.07066	4.4
83.04991	0.7
83.08611	0.5
91.05484	9.6
93.06476	0.7
93.07047	12.8
95.04972	2.6
95.08606	5.3
95.14461	0.3
97.02882	0.8
97.06537	0.6
98.98484	0.8
100.57860	0.4
105.07030	4.4
107.04961	11.3
107.08598	22.0
109.06510	1.4
109.10144	1.1
111.04430	0.9
115.05461	1.7
117.07027	5.3
118.48370	0.4
119.04941	8.4
119.08560	1.3
121.02862	0.8
121.06517	3.3
121.10156	0.8
125.09646	0.7
133.06490	1.4
133.10098	0.6
135.08055	100.0
135.11623	1.8
137.13263	4.5
139.07529	0.9
145.06517	1.1
145.10147	0.6
147.04413	50.8
147.08066	1.6
147.11665	0.5
149.09619	1.9
149.13203	0.4
153.09117	2.8
157.06506	1.6
159.08052	1.9
161.09584	1.0
161.13272	1.5
163.03900	0.7
165.05473	0.6
171.08069	1.5
173.09671	1.8
177.05504	0.5
177.12773	0.6
185.09683	2.2
187.07640	0.5
187.11137	1.0
189.12759	0.7
195.28210	0.4
199.11191	2.9
207.13780	0.6
209.09665	1.3
213.09113	1.0
213.12692	0.7
215.10738	0.7
216.90651	0.5
221.84610	0.4
223.11166	0.7
227.10744	1.3
231.10234	1.0
233.05743	18.1
239.14328	0.6
241.12247	0.5
245.11790	0.5
251.06870	1.7
255.17444	4.4
265.15936	1.1
283.16940	10.5
283.19843	0.6
301.18039	2.4
309.13464	1.1
321.09869	1.2
327.14456	1.3
333.07886	5.2
335.09525	3.9
339.10825	0.9
350.06445	0.4
355.17435	0.5
378.88419	0.4
381.14725	4.4
399.15741	1.1
407.11206	1.8
529.22882	0.5
555.20203	1.7
573.28809	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	573.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01876	7.1
55.05502	1.8
57.03447	0.6
63.11342	0.7
63.40266	0.5
65.03951	1.1
67.05515	2.9
68.14725	0.5
69.03443	1.3
69.07060	1.4
69.35044	0.8
69.35386	5.7
70.06579	0.6
72.08155	1.5
75.29751	0.5
79.05496	18.2
81.07069	4.8
83.04983	5.8
83.08636	0.6
85.02928	0.5
86.09704	1.6
91.05482	9.7
93.03385	0.7
93.07043	16.8
95.04969	4.1
95.08615	4.2
97.02895	1.9
98.21566	1.1
98.98470	0.9
99.08142	0.7
105.07034	5.3
107.04962	13.6
107.08601	24.7
107.98129	0.5
109.06537	0.7
109.10146	1.6
111.04460	3.0
111.08087	0.6
115.05434	0.6
117.07025	5.9
118.84989	0.5
119.04951	5.1
119.08578	1.6
121.02873	1.2
121.06502	2.7
121.10151	0.8
121.88174	0.5
123.04424	0.7
123.08032	0.7
125.09579	0.7
127.03921	1.0
129.05464	0.5
133.06528	0.9
133.10129	0.9
135.08058	100.0
135.11679	2.1
137.06003	0.9
137.13254	4.2
139.03873	0.6
141.97694	0.5
145.06476	1.9
147.04410	31.6
147.08040	1.4
149.09604	1.1
153.09106	4.1
157.06511	1.9
159.08046	1.6
161.09621	1.3
161.13266	1.2
163.11263	0.7
165.05504	1.9
171.08009	1.4
173.09677	2.0
175.07558	0.6
185.09636	1.7
187.11078	0.8
189.09113	0.6
197.09532	0.6
199.11208	2.6
201.09065	0.8
201.12761	1.8
209.09639	0.6
213.09225	0.6
213.12854	0.9
215.10730	1.3
227.10710	1.8
230.61116	0.6
233.05754	18.6
241.12311	0.8
241.15881	1.6
250.12912	0.6
251.06781	1.8
255.17467	2.6
265.15976	0.8
283.16946	13.2
301.18002	2.0
309.13373	7.9
321.09677	8.2
381.14661	6.0
389.10077	1.6
399.15967	0.6
407.11008	5.1
413.80655	0.5
457.22293	2.9
543.27478	0.6
555.19849	5.4
573.29395	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	573.2097
Annotation	Mucronulatol-(4->5')-vestitol
Peak:m/z	Relative Intensity
55.05513	8.8
67.05508	0.6
68.21336	0.3
69.07078	0.6
70.57516	0.6
70.57915	0.7
79.05488	0.8
80.68424	0.3
81.07057	3.5
83.04985	100.0
91.05479	0.7
93.07070	0.6
95.04964	0.5
95.08607	1.3
101.06042	0.3
101.94980	0.3
103.05491	0.4
105.07037	0.8
107.04964	12.7
107.08615	1.4
111.04414	0.3
117.07032	0.9
119.04953	1.0
121.06501	1.5
125.08488	0.3
131.08554	0.3
133.06511	4.1
135.08131	0.3
137.13257	0.8
145.06493	9.7
147.04431	5.1
147.08052	0.4
147.11719	1.4
151.11183	0.4
157.06543	0.8
159.08081	2.7
161.09656	0.4
163.11214	0.4
166.39058	0.3
171.08047	0.6
173.09663	0.6
182.37352	0.3
185.08197	0.3
185.09579	1.4
189.12825	0.5
199.11168	1.8
201.12752	13.1
209.09715	0.4
227.10576	1.6
241.12247	0.4
255.17426	1.4
257.10236	3.5
275.11240	2.0
283.13785	0.6
283.16928	13.0
321.09653	1.4
381.14420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01630	0.6
55.01873	6.5
64.74004	0.5
65.03937	1.5
67.05503	2.8
69.03434	0.8
69.07072	2.1
69.77452	2.0
69.77888	2.0
78.20352	0.6
79.05070	0.9
79.05499	14.4
81.07050	5.1
84.08126	0.6
90.22506	0.7
91.05479	7.4
93.07041	11.7
95.04961	2.3
95.08593	3.8
105.07040	3.3
106.53949	0.6
107.04961	11.2
107.08599	18.2
109.06515	1.4
109.10141	1.1
111.04432	0.9
115.05457	1.4
117.07018	4.0
119.04945	6.2
119.08623	1.4
121.02912	0.8
121.06501	2.0
121.10143	0.8
125.09628	1.0
131.04913	0.8
133.06490	1.2
135.08058	100.0
137.13261	4.1
139.07538	1.3
145.06459	1.1
147.04417	45.8
147.08006	1.1
149.09627	1.8
153.09100	3.7
157.06531	0.8
159.08128	0.9
161.09596	0.7
161.13272	0.8
171.08055	1.8
173.09654	1.3
175.07562	1.0
184.08727	0.6
185.09700	1.3
189.12672	0.8
197.09491	0.6
199.11249	2.3
209.09735	0.6
211.10956	0.6
213.09004	0.7
215.10645	1.2
227.10750	1.4
233.05765	20.5
241.15947	0.7
251.06808	1.9
255.17442	3.8
265.15857	1.0
283.16946	11.1
285.38367	0.7
301.18079	2.7
309.13412	0.7
321.09808	1.4
339.10764	1.3
365.17642	0.7
381.14719	6.0
399.15637	0.8
407.11102	2.4
475.23367	0.8
555.19946	2.4
573.28735	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2096
Annotation	Mucronulatol-(4->5')-vestitol
Peak:m/z	Relative Intensity
50.17696	0.6
55.01871	6.0
60.71528	0.7
65.03932	0.9
67.05494	2.0
69.03410	0.7
69.07053	2.0
69.40578	0.5
71.22221	1.1
71.22538	0.9
78.17662	0.6
79.05494	14.5
81.07059	3.7
83.04974	1.0
91.05488	9.3
93.07048	9.4
95.04957	2.0
95.08592	3.6
97.02940	0.7
103.05414	0.7
105.07024	3.3
105.91357	0.7
107.04959	10.0
107.08592	20.5
109.06519	1.6
109.10150	1.0
110.68802	0.6
111.04481	0.7
115.05434	1.3
117.07032	5.7
119.04961	7.2
121.06509	2.8
131.04944	0.8
133.06503	1.0
135.08054	100.0
137.13260	3.8
142.86235	0.6
145.06502	1.5
146.70119	0.8
147.04413	45.4
147.08122	1.0
147.11586	0.7
149.09627	1.8
153.09088	4.1
157.06450	0.7
159.08064	1.6
161.09654	1.1
161.13298	0.8
171.08023	1.4
173.09625	1.2
185.09596	1.9
197.09688	1.0
199.11227	2.4
215.10612	0.9
227.10686	1.5
233.05719	23.3
251.06818	1.5
255.17470	4.0
283.16916	11.7
301.18112	3.1
302.00986	0.7
309.13315	1.6
321.09634	1.1
327.14410	1.0
339.10773	1.1
343.49319	0.7
353.15259	0.7
359.15033	0.7
381.14581	6.2
407.10858	1.0
475.23325	1.3
493.06305	0.8
534.66754	0.8
555.19897	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.21
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06224	0.4
53.00311	0.4
53.03947	0.5
55.05516	10.3
57.07067	0.8
62.80175	0.4
65.03948	0.6
67.05524	2.0
69.03442	1.0
69.07073	3.0
69.46875	3.4
70.06577	0.7
79.05493	3.1
79.66238	0.3
81.03423	0.7
81.07063	13.8
83.04984	100.0
83.08634	0.8
85.02912	1.4
86.09719	0.9
90.96159	0.4
91.05460	2.3
93.07063	2.0
95.04976	1.3
95.08609	6.0
97.02902	1.5
98.21564	0.6
98.98501	0.4
99.04464	0.5
103.05498	0.6
105.07032	2.9
107.04959	31.2
107.08591	3.6
109.02839	0.5
109.06529	0.7
109.10170	1.1
111.04462	0.6
111.08129	0.6
116.98639	0.4
117.07035	1.0
119.04956	4.0
119.08579	0.9
121.02891	1.5
121.06515	3.7
121.10151	1.1
123.04469	0.7
131.04968	1.4
131.08594	1.1
131.09985	0.4
133.06503	9.1
133.10153	0.7
135.04425	1.0
135.08044	2.0
135.11690	1.5
137.06013	0.9
137.09660	0.4
137.13257	5.9
139.03995	0.3
141.07011	0.7
144.05748	0.6
145.02861	0.5
145.06490	12.7
145.10139	0.9
146.07304	0.4
147.04416	28.4
147.08057	1.5
147.11705	1.5
149.05969	0.5
149.09648	0.5
151.11253	0.5
155.08472	0.4
157.06473	3.4
157.10150	0.5
158.07329	0.7
159.08060	7.6
161.06111	0.5
161.09621	3.2
161.13272	0.9
163.03917	5.1
163.11110	0.8
168.24121	0.4
171.08060	2.5
173.09631	4.0
175.07542	0.4
177.12785	0.8
178.05801	0.4
181.05002	0.5
185.09599	5.9
187.07593	1.9
187.11212	1.5
189.09151	0.8
189.12724	1.8
195.08112	0.6
199.11180	7.2
201.12755	22.0
205.08676	0.7
209.09727	1.3
213.09163	0.9
213.12810	1.7
215.10721	0.5
223.11488	0.5
227.10722	2.7
241.12289	0.8
241.15973	1.8
245.11803	0.7
255.17461	8.1
257.10205	9.1
265.15945	1.1
275.11340	2.1
283.16943	26.7
299.10602	1.1
301.18057	1.7
321.09665	0.8
339.10852	0.9
349.78448	0.4
381.14590	2.7
411.09210	0.6
475.23508	1.1
555.20557	0.6
573.14886	0.5
573.28931	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01878	5.4
55.05505	0.4
57.03429	0.3
65.03944	0.6
67.05508	2.5
67.05830	0.5
69.03423	1.1
69.07061	2.0
69.41078	0.5
69.41470	2.5
70.07390	0.3
70.26174	0.3
79.05498	12.4
81.07059	5.1
83.04975	0.8
83.08604	0.6
85.02911	0.5
91.05483	5.5
93.07049	7.9
95.04942	2.1
95.08618	3.6
97.02883	1.5
105.07030	4.0
107.04961	8.1
107.08601	17.0
109.06515	1.3
109.10177	1.6
110.38162	0.4
111.04471	0.7
111.08039	0.4
111.41818	0.3
115.05470	1.2
117.07020	4.2
119.04956	3.1
119.08591	1.0
121.06503	1.5
121.10174	0.5
125.09650	0.8
128.67957	0.3
131.08539	0.4
133.06537	0.5
135.08061	100.0
135.11588	1.6
136.08449	0.4
137.13252	2.9
139.07487	0.4
145.06488	0.7
146.61530	0.3
147.04417	16.0
147.08032	1.1
149.09612	1.7
153.09113	7.8
156.87129	0.3
157.06503	1.0
159.08063	0.9
161.09633	0.8
161.13301	0.7
165.05476	0.7
171.08026	0.7
173.09660	0.6
185.09631	1.4
187.11188	0.3
189.12746	0.3
195.07986	0.3
197.09619	0.6
197.85358	0.3
199.11192	1.5
201.09061	0.3
207.13858	0.7
209.09636	0.6
213.09103	0.9
213.12691	0.5
215.10738	1.2
222.26909	0.3
223.11349	0.4
227.10724	1.0
231.10207	0.4
233.05756	21.3
241.12303	0.8
251.06863	0.9
255.17421	1.8
265.15906	0.4
283.16943	9.3
283.19885	0.6
301.18045	2.5
309.13477	1.5
321.09756	1.2
327.14502	1.2
381.14661	3.0
407.11050	0.9
425.07187	0.4
457.22208	0.5
475.23102	1.7
555.20197	0.8
573.19702	2.9
573.28271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96736	3.0
55.05505	10.8
67.05505	10.1
69.03436	7.4
69.07069	17.0
71.60838	3.4
76.13350	2.8
78.65469	2.7
79.05495	6.6
81.03403	5.4
81.07063	20.0
83.08620	9.2
85.02919	23.0
87.00794	6.4
87.59324	3.4
87.78593	3.5
91.05477	9.6
93.07080	14.3
95.08610	28.4
97.02895	8.5
97.10162	4.4
105.01874	13.4
105.07027	21.1
107.08601	30.0
109.02881	7.6
109.10161	19.7
117.07018	5.8
119.08581	28.2
121.10155	18.7
123.11711	9.8
127.03909	16.9
131.08560	8.4
133.10168	21.6
135.11685	12.9
143.08635	3.2
145.05014	6.0
145.10115	17.1
147.11705	11.8
149.13255	8.6
159.11697	11.9
161.13268	12.5
163.14769	7.1
173.13252	10.9
175.14922	10.0
177.16376	7.9
178.00507	2.9
187.14786	23.0
189.16400	23.1
201.16388	19.1
203.17856	3.5
215.18039	14.8
243.20789	4.1
271.24210	100.0
289.25183	7.5
297.58206	3.3
313.25323	4.3
466.80795	3.3
519.29755	5.5
528.19537	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	572.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50602	0.8
69.03419	2.8
69.33843	1.7
69.34248	7.2
70.06588	4.1
72.08147	0.7
79.05496	1.0
81.03413	1.3
81.07018	1.1
84.04543	0.9
85.02912	7.3
86.09695	2.0
91.05499	4.2
93.07069	0.9
94.04173	1.6
95.04977	0.9
97.02882	2.5
103.05463	4.5
105.07007	3.0
113.90951	0.8
115.05424	2.0
119.04964	2.1
122.03653	3.8
123.71599	0.8
125.06012	0.9
127.03899	1.6
129.06996	1.2
131.04929	11.6
133.06490	1.5
136.05136	0.8
137.05972	100.0
138.06340	1.5
143.04881	1.0
145.06487	2.3
147.04391	2.7
147.07938	0.8
149.06006	2.5
151.07516	3.2
153.05450	1.8
157.06454	0.9
161.05978	5.5
163.03915	1.3
163.07544	30.8
167.07057	1.1
173.05907	1.6
175.07562	8.6
176.04544	1.0
177.05547	1.9
177.09093	4.2
179.07039	18.4
179.08499	1.7
185.05862	0.8
189.09106	1.9
191.07045	3.0
195.07947	1.0
201.92619	0.8
203.06973	2.0
205.06688	0.8
205.08548	13.8
207.08119	2.2
217.08560	1.0
219.08003	1.4
221.06044	1.1
225.09099	1.5
234.06787	1.3
235.09570	6.2
237.09048	1.9
249.09167	1.5
250.06223	0.8
251.10718	1.0
253.08472	2.7
255.10020	1.1
265.08463	2.5
267.10168	2.9
269.08124	1.1
277.08621	2.1
279.10205	2.1
285.11151	1.9
294.08832	1.9
295.09653	2.2
297.11166	1.5
299.12833	1.4
309.11285	5.7
311.12820	8.6
315.12241	2.9
323.12726	1.0
327.12207	11.7
329.13849	3.4
345.13300	20.7
357.13440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05504	3.3
57.07069	2.2
60.17937	1.0
63.59189	1.1
65.03926	1.5
65.91663	1.0
67.05496	8.6
69.07070	7.8
70.32861	3.0
70.33252	2.3
79.05479	5.6
81.07053	14.5
83.04979	4.2
83.08620	2.5
85.06519	1.0
91.05480	7.6
93.07030	10.4
95.04979	1.3
95.08604	15.7
98.21454	1.3
104.86500	1.1
105.06379	1.9
105.07028	22.0
107.08595	12.5
109.10149	13.1
111.04478	1.8
115.05440	2.3
117.07022	1.8
119.08578	19.4
121.06506	1.1
121.10133	7.4
122.81967	1.0
123.11692	9.6
128.06253	1.6
128.36751	1.1
129.06996	3.1
131.08536	4.2
133.10144	12.6
135.11681	5.9
137.05969	7.3
137.13373	1.0
141.06952	1.8
143.08556	3.5
145.06483	3.3
145.10106	7.4
147.11688	21.2
148.12466	2.1
149.13246	3.1
151.07574	2.2
155.08609	1.3
157.06506	4.8
157.10110	2.0
159.08047	2.2
159.11722	4.1
161.05914	1.4
161.13245	28.1
163.07474	1.4
163.14767	2.3
165.07024	1.4
167.08615	1.3
171.08029	3.3
171.11726	1.2
173.05914	1.2
173.09616	2.5
173.13219	1.7
175.07527	5.7
175.14816	6.9
177.05478	3.5
177.09096	4.6
179.08543	1.1
181.10094	1.1
183.08070	3.6
186.06793	3.9
187.07492	1.6
187.14894	1.3
189.05368	1.2
189.09068	9.6
189.16389	10.0
191.10631	2.7
191.14290	2.9
195.08018	3.7
197.09772	1.3
201.09085	19.3
201.16408	4.1
203.06976	6.6
203.10675	4.4
203.17955	61.2
204.18718	30.3
205.08551	1.7
207.08066	3.4
208.08844	1.1
209.09628	3.1
211.11255	1.1
215.07022	1.3
215.10628	9.1
219.11479	1.1
221.09657	2.6
223.11234	2.5
225.09077	3.7
227.07051	3.0
227.10706	2.9
229.08578	1.9
229.12161	2.6
235.11118	3.3
239.10698	4.7
241.08586	2.9
241.12158	3.2
243.10081	1.1
243.13936	1.4
248.11903	1.6
249.12755	3.3
251.10599	1.9
253.12289	2.9
254.28458	1.2
255.13879	3.0
263.14343	2.2
265.12131	2.6
267.13840	3.5
269.15277	1.8
280.14731	1.2
281.11975	1.2
281.15356	4.6
283.13330	1.6
293.11884	1.2
293.15137	1.9
295.16864	8.0
309.18573	1.4
319.20541	2.1
321.18527	2.7
322.19452	1.3
323.16342	3.1
337.21640	3.6
351.23172	70.4
361.21609	3.0
364.20282	2.5
379.22653	100.0
380.23087	1.7
397.23666	4.2
553.42334	1.6
571.28845	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65809	0.4
69.83510	0.8
69.83934	2.3
71.04995	1.1
73.87918	0.4
74.02458	0.5
81.07045	3.1
91.05478	0.5
93.07054	0.4
107.08624	0.9
109.10171	0.6
111.08078	0.5
117.07044	1.0
118.06550	14.5
121.68150	0.4
123.11701	1.1
130.06509	1.6
132.08086	4.7
137.16817	0.4
139.11182	0.5
142.06531	1.6
143.07323	1.4
144.04318	0.7
144.07004	0.7
144.08087	11.9
146.06004	59.5
151.11191	1.5
157.12141	0.5
159.09186	6.0
160.07634	1.0
160.73470	0.5
169.12247	2.5
170.06029	3.9
187.13301	4.1
187.26187	0.4
188.07060	100.0
189.07381	0.7
201.71156	0.4
205.09724	53.4
205.14264	2.1
244.22914	0.5
309.11853	0.4
491.69864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35058	0.9
53.03944	1.0
54.23285	1.0
55.05521	7.5
56.05025	3.4
57.07069	3.7
60.04530	61.4
67.05508	13.5
69.06777	1.1
69.07076	11.2
69.90678	5.5
71.08625	3.1
72.04511	3.3
74.06087	2.9
79.05505	6.4
80.05010	1.7
81.03423	2.2
81.07052	13.5
82.06563	2.5
83.04932	1.3
83.08617	7.3
86.06063	2.1
89.06012	1.9
90.05541	2.6
90.95493	0.9
91.05492	6.2
93.07040	7.2
94.06570	2.4
94.45923	1.0
95.04951	2.1
95.07371	1.3
95.08614	9.4
96.08094	1.3
97.06512	1.8
97.10163	4.6
105.07046	4.7
107.08588	3.9
109.10161	5.1
109.11414	1.0
111.11666	0.9
118.08655	4.0
119.08580	3.9
121.10149	3.7
122.09625	1.0
123.08008	1.3
133.10132	4.4
135.11681	2.4
137.53806	0.9
147.11639	2.2
149.13214	1.5
161.13286	2.6
166.28084	1.0
233.22639	1.2
245.22617	5.5
250.25397	1.5
255.92598	1.2
262.25311	27.4
263.23685	6.7
272.25778	6.6
280.26392	28.8
298.27469	12.9
314.26874	2.7
316.28427	1.3
344.28049	1.7
454.46619	1.2
504.47519	1.3
516.47620	4.2
534.48810	21.3
552.49890	100.0
553.49829	1.6
570.51111	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	570.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.8
56.05048	2.4
57.07067	3.3
60.04527	72.1
67.05503	11.7
68.36624	1.3
69.07070	11.7
70.06590	2.7
71.08630	3.4
71.22604	1.7
71.22970	2.3
72.04514	4.1
74.06052	1.5
79.05490	8.9
80.05016	1.3
81.03420	3.2
81.07068	12.7
82.06578	1.9
83.04993	1.2
83.08633	8.6
84.08163	1.4
85.02932	1.5
86.06079	2.6
89.06032	1.9
90.05552	3.2
91.05477	7.2
93.07035	9.7
94.06583	3.6
95.04951	2.9
95.08599	12.1
96.08116	2.1
97.10191	5.5
98.06057	1.5
98.20673	1.0
105.07034	5.1
107.08591	5.5
109.06560	1.3
109.10161	3.8
110.09660	1.6
119.08598	6.4
121.10143	5.6
123.08065	1.5
123.11737	1.7
133.10098	5.6
135.11696	2.8
136.11206	1.4
137.09566	1.6
147.11740	1.5
148.47987	1.1
212.32205	1.0
228.34317	1.1
245.22643	4.9
250.25346	3.6
262.25311	33.4
263.16989	0.9
263.23706	8.0
266.24716	1.3
268.26389	2.4
272.25897	7.4
280.26376	33.4
298.27429	12.8
314.26923	2.6
316.28583	1.7
344.28030	1.5
377.50272	1.3
377.55319	1.2
516.47620	4.0
534.48737	16.7
552.49896	100.0
553.49670	1.8
570.50946	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	569.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76809	0.8
53.03926	1.0
55.05507	10.8
57.07065	1.5
63.85426	0.7
65.03934	1.8
65.63478	0.7
67.05500	9.8
68.99772	1.5
69.03378	1.0
69.07074	3.8
71.57993	0.9
72.40702	0.7
79.05491	5.9
81.03416	1.7
81.07056	9.1
83.04979	9.0
83.08605	1.9
91.05476	9.5
93.07037	9.4
95.04959	3.4
95.08605	34.8
97.06532	1.1
97.10120	1.0
98.10187	0.8
105.07024	15.4
107.04948	1.1
107.08586	13.7
109.02856	1.0
109.06539	0.8
109.10152	9.6
111.04419	5.5
111.08083	1.0
112.01565	1.2
115.05438	1.0
117.07005	3.5
119.08575	32.0
121.06505	1.7
121.10135	13.8
123.04436	6.0
123.08062	1.0
123.11707	2.2
125.02370	0.7
125.05991	1.1
125.09647	1.0
127.03909	12.8
128.06247	1.1
129.06985	2.4
131.08572	6.9
133.10132	25.0
135.04410	2.0
135.08023	1.7
135.11700	3.3
137.05977	1.0
139.03891	7.5
140.04665	1.6
141.05434	1.3
141.07004	2.6
141.09288	0.7
142.04575	0.9
142.07791	2.2
143.08582	7.1
144.09332	1.0
145.06474	1.1
145.10120	14.6
147.04424	0.9
147.08075	1.6
147.11679	10.0
149.05981	2.9
149.09601	1.1
149.13231	3.2
151.07478	2.3
155.03387	34.8
155.08531	3.8
156.09329	2.4
157.10106	10.3
159.08138	0.8
159.11697	13.2
161.09627	3.2
161.13217	4.6
163.07539	2.1
163.11160	1.2
163.14795	0.9
167.08505	1.4
168.04173	1.0
168.09332	2.0
169.04968	3.1
169.10126	7.9
170.05740	100.0
170.10909	2.2
171.06561	7.6
171.07921	1.5
171.11685	9.2
173.09575	2.8
173.13261	7.2
175.07541	1.1
175.11143	1.2
175.14838	3.1
177.09132	3.7
179.10670	2.7
181.10098	1.9
182.10962	1.2
183.06534	19.2
183.07944	0.7
183.11687	10.0
185.09628	2.4
185.13272	5.1
187.07454	0.9
187.11203	6.4
187.14812	6.9
189.12694	1.1
189.16399	3.3
191.10599	4.2
195.11668	2.9
197.04398	4.3
197.09621	2.1
197.13258	10.6
199.11192	3.1
199.14809	4.8
201.09158	1.8
201.12819	1.4
201.16278	4.2
203.10614	5.5
203.14381	1.7
205.12285	7.4
207.11780	1.0
209.04492	2.6
209.13319	1.6
211.11159	2.9
211.14816	7.3
213.12685	1.2
213.16371	1.6
215.10631	2.9
215.14214	1.1
217.12202	3.1
221.13351	1.2
225.12738	4.1
225.16409	2.9
227.18022	1.0
229.12231	6.1
231.13730	1.0
237.07339	1.0
237.16351	1.6
239.14377	4.5
239.17905	7.1
241.19510	1.4
243.13736	7.9
243.21115	1.6
253.15868	6.0
253.19501	14.4
255.21078	2.8
257.15329	3.9
263.18008	1.9
271.16803	1.3
271.20612	4.2
281.18994	23.3
299.20053	97.0
423.25110	2.7
441.26245	1.5
451.24622	3.4
469.25793	3.2
471.34732	1.3
569.37866	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95508	1.3
50.96680	1.3
51.33908	1.4
52.69333	1.7
53.03944	2.1
55.05506	12.0
61.13047	1.3
62.91262	1.4
67.05518	9.9
68.99753	1.7
69.03439	1.8
69.07059	4.4
71.58047	2.7
79.05498	8.7
80.81104	2.1
81.07061	11.6
83.04971	9.0
83.08607	4.6
85.82379	1.5
90.79391	1.5
91.05493	11.2
93.07047	12.5
95.04980	4.0
95.08602	31.8
97.06525	2.4
105.07032	15.8
107.08579	13.8
108.35291	1.5
109.02885	3.8
109.10150	8.2
111.04454	3.3
117.07023	3.4
119.08571	27.2
121.06519	2.1
121.10149	13.2
123.04424	3.8
123.08038	1.4
123.11675	2.7
125.09575	2.4
127.03918	10.9
129.06975	1.9
129.32289	1.4
131.08540	7.2
133.10121	21.8
135.08073	3.1
135.11716	5.5
137.05931	1.6
139.03871	5.7
142.01923	1.4
143.08546	5.9
144.09286	1.6
145.10107	11.5
147.11682	11.1
149.06012	4.8
149.13234	3.7
155.03397	26.1
155.08537	5.3
156.09326	2.6
157.10159	10.7
159.11688	13.3
161.09630	2.8
161.13271	4.4
163.07646	2.2
168.09438	1.7
169.04906	2.3
169.10112	7.1
170.05746	78.6
171.06528	5.9
171.11655	6.3
173.09608	3.0
173.13277	7.0
175.07701	1.6
175.14859	2.8
177.09099	3.3
179.10686	2.2
181.10057	1.9
183.06519	16.1
183.07918	2.5
183.11693	10.6
185.09605	2.3
185.13257	6.3
187.07581	2.2
187.11162	7.3
187.14833	3.2
189.16388	3.2
191.10703	4.0
195.11696	1.9
197.04472	3.2
197.09535	2.9
197.13261	8.7
199.11314	2.1
199.14821	7.2
201.08940	1.9
201.16383	3.8
203.10605	4.0
203.14430	2.1
205.12210	8.8
209.04427	4.4
211.11218	3.3
211.14810	4.2
215.10703	2.7
217.12271	3.9
219.13896	1.9
225.12732	3.6
225.16322	2.2
229.12241	5.5
231.13873	2.1
239.14378	4.5
239.17966	6.4
241.19560	2.1
243.13818	11.2
252.21005	1.6
253.15816	2.8
253.19540	13.5
255.21217	2.3
257.15283	2.7
263.18069	2.5
271.20639	4.7
281.19009	23.4
299.20065	100.0
423.25339	4.1
451.24728	2.2
469.25873	3.6
471.34470	2.0
540.84607	1.9
569.39252	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	569.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.3
64.20922	1.7
67.05495	10.7
69.03403	1.7
69.07061	2.8
69.56520	5.0
69.56938	8.5
71.68085	1.6
72.29734	1.6
79.05496	7.9
81.03395	2.3
81.07047	8.5
83.04974	7.9
91.05472	8.8
93.07034	13.1
95.03030	1.6
95.04971	3.3
95.08604	30.2
97.10161	1.5
105.07033	15.3
107.08598	13.6
107.75956	1.7
108.60334	1.5
109.02872	1.6
109.06489	2.5
109.10136	9.2
111.04416	5.3
112.79143	1.7
117.07021	4.0
119.08582	23.0
121.06496	2.6
121.10120	11.6
123.04479	3.3
123.11682	1.7
127.03910	11.6
131.08583	8.9
133.06401	1.8
133.10136	16.9
135.11711	4.5
137.09706	1.5
139.03845	3.9
143.08553	6.8
145.10112	13.1
147.11693	10.4
149.05998	3.6
149.09604	3.1
155.03386	32.2
155.08542	3.8
157.10150	9.0
159.11678	12.7
161.09561	1.8
161.13264	4.8
169.05011	2.6
169.10085	6.9
170.05740	100.0
171.06549	8.3
171.11707	7.8
173.09698	2.3
173.13237	6.3
175.14760	2.9
177.09128	3.7
179.10661	1.7
181.10130	2.3
183.06529	11.3
183.11641	10.1
185.09642	3.4
185.13286	5.1
187.11180	5.1
187.14781	4.6
189.16391	3.3
191.10820	2.0
196.12447	2.1
197.04463	2.2
197.13231	8.5
199.11214	2.5
199.14796	6.0
201.16360	2.9
203.10699	4.5
203.14240	2.2
205.12265	6.1
209.04546	2.5
211.11131	2.2
211.14801	4.5
215.10715	2.2
217.12234	2.6
223.14899	1.8
225.12686	4.1
225.16356	3.5
229.12123	5.3
239.14310	6.9
239.17885	5.4
241.19455	2.6
243.13950	7.9
244.72231	1.6
253.15802	4.1
253.19539	13.2
257.15234	2.8
263.17703	2.0
266.03561	1.9
271.20435	3.9
281.18994	19.0
299.20041	87.1
386.21432	1.7
423.25314	2.2
441.26028	1.9
469.25729	3.0
471.34113	2.2
569.29291	2.0
569.41748	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	569.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.4
67.05497	10.8
69.07072	4.8
69.21264	2.1
69.53806	11.8
69.54234	8.3
72.18306	2.1
79.05487	5.4
81.07056	11.7
83.04987	5.8
91.05482	13.6
92.76884	2.2
93.07030	10.5
95.05003	4.6
95.08620	35.1
105.07029	18.2
107.04991	2.6
107.08595	12.5
109.10142	8.9
111.04420	5.1
119.08578	26.2
121.10188	11.6
127.03934	14.0
129.07072	3.2
131.08533	6.4
133.10136	22.4
135.11673	4.6
139.03902	4.2
142.07715	2.7
143.08556	5.0
145.10159	10.3
147.11691	7.7
149.13231	3.8
151.07472	3.1
155.03392	38.8
155.08592	3.4
157.10132	9.1
159.11688	14.7
161.09659	4.5
161.13252	6.0
169.10159	6.7
170.05746	100.0
171.06517	6.4
171.11650	5.9
173.09599	4.4
173.13266	6.4
175.14905	3.0
177.09085	3.3
179.10631	2.3
182.10953	3.3
183.06516	9.5
183.11719	8.8
184.12347	2.3
185.13318	5.2
187.11128	4.8
187.14847	6.6
189.16327	2.9
191.10695	4.0
197.04495	3.6
197.13249	7.9
199.11232	2.6
199.14842	5.8
201.16464	2.4
203.10684	5.2
205.12236	5.4
209.04506	2.8
211.11285	2.3
211.14885	5.0
217.12279	3.1
229.12259	6.1
239.14317	3.4
239.17964	5.5
243.13815	11.3
253.15941	2.7
253.19514	12.4
271.20422	3.7
281.18970	22.3
299.20068	90.2
301.17551	2.8
569.39447	5.2
586.36768	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90015	0.6
53.03940	1.3
55.05507	1.5
57.07079	3.9
59.92439	0.5
67.05509	8.1
69.03428	1.4
69.07073	13.2
69.07455	0.8
70.06603	0.7
71.08603	0.8
71.09292	0.6
71.09618	1.1
79.05503	5.1
81.03412	1.3
81.07061	100.0
83.08624	1.3
85.02899	5.0
85.06536	0.8
93.07043	1.8
95.04943	0.9
95.08611	39.2
96.04485	0.6
96.32761	0.5
97.02907	2.1
97.10192	0.7
98.98504	3.2
99.08098	0.9
106.68253	0.6
107.08627	1.2
109.02861	0.9
109.10129	2.8
111.11726	8.4
119.08567	0.9
120.08091	0.7
121.10195	0.6
127.03930	6.1
131.04968	0.8
131.08592	1.0
133.05008	0.6
133.10129	0.7
135.11696	0.8
137.13261	63.1
145.02840	0.6
145.04991	2.2
147.04456	0.8
150.05531	0.7
151.03984	1.2
153.12769	2.0
155.14313	12.1
163.03937	1.4
163.06018	1.3
163.07590	0.8
167.07076	2.0
173.15393	3.3
177.05544	1.1
178.97017	0.6
234.99033	1.6
235.10968	12.6
255.17387	0.6
263.16168	0.5
291.71707	0.5
321.04080	1.0
335.12424	2.1
389.12531	1.2
587.87469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05515	2.4
55.60236	0.4
57.07081	4.0
67.05506	5.8
68.17834	0.4
69.03426	1.2
69.07072	11.0
69.40015	2.3
69.40440	1.5
71.08633	0.8
79.05500	5.4
81.07062	100.0
82.07394	0.5
83.08630	1.5
84.08165	0.5
85.02917	4.3
86.09721	0.6
91.05470	0.7
92.51348	0.4
93.07042	2.0
95.04996	0.9
95.08611	42.4
97.02912	1.9
97.06560	0.5
97.10162	0.7
98.98479	3.9
100.11272	3.3
102.01520	0.4
105.07066	1.1
107.08621	1.1
109.02876	0.6
109.06566	0.5
109.10159	3.2
111.11723	7.8
111.12435	0.6
119.08562	0.6
121.06499	0.4
121.10146	0.7
127.03925	1.5
131.04956	0.7
133.10202	0.5
135.11621	0.7
137.05981	0.9
137.13263	62.3
145.04929	1.7
155.14308	10.6
163.06021	1.1
167.07069	1.3
173.15382	3.3
177.05583	0.7
187.84744	0.4
205.08458	0.4
209.16608	0.6
210.14922	0.5
235.10962	12.1
260.53806	0.4
263.16437	0.7
281.17453	0.9
299.10126	0.6
299.18430	0.7
300.10507	0.9
302.71927	0.4
373.13989	0.5
374.14297	1.1
386.58865	0.4
551.18616	0.5
569.18622	0.4
569.47461	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	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.4
57.07064	6.8
59.87288	3.7
67.05512	17.1
69.07060	11.0
69.67895	27.9
79.05490	14.9
80.06287	3.8
81.07064	31.0
83.05001	5.6
83.08617	5.9
85.06516	4.4
91.05484	31.3
92.58521	3.5
93.07043	45.1
95.04955	34.9
95.08587	21.4
105.07027	70.2
107.08598	41.2
109.10163	22.2
110.76939	4.0
117.07005	19.4
119.08585	100.0
120.09349	9.0
121.10144	25.9
123.08073	13.8
123.11732	8.6
128.06163	5.0
129.06993	14.6
130.07788	7.9
131.08569	41.3
132.09358	9.1
133.10138	52.6
134.10892	5.8
135.08043	7.0
135.11739	17.6
137.09605	8.0
138.10371	6.8
142.07782	9.7
143.08565	36.2
144.09308	13.0
145.10130	89.5
147.11685	23.0
149.09648	8.3
149.13264	4.2
155.08582	11.9
156.09349	14.7
157.10123	51.2
158.10909	8.8
159.11668	40.8
161.09602	5.9
161.13272	6.2
167.08562	8.4
168.09367	4.6
169.10135	19.5
170.10927	8.6
171.11699	36.5
172.12405	8.3
173.13252	30.6
175.14819	20.6
177.12794	5.0
179.08537	9.8
180.09254	4.8
181.10136	16.2
182.10956	7.3
183.11717	23.2
184.12366	4.2
185.13266	19.1
186.14067	4.9
187.14839	10.8
191.14323	9.2
193.10078	5.7
194.10884	5.7
195.11697	16.3
196.12390	5.7
197.13235	23.4
198.13986	6.0
199.14839	11.5
201.16550	4.8
203.14258	3.7
207.11763	7.5
209.13303	21.6
211.14828	13.2
213.16350	6.7
217.15950	5.9
221.13312	8.9
223.14792	9.7
225.16350	7.1
235.15201	4.1
237.16415	6.2
249.16339	6.2
263.17862	4.1
265.19647	4.8
323.23645	5.8
328.03088	4.1
338.26096	43.0
430.32092	13.1
458.35089	5.3
476.36469	25.8
568.42719	38.8
568.56146	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	568.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
57.03432	0.3
69.03422	0.8
70.64726	0.8
78.62896	0.3
79.05478	0.4
81.03416	2.8
81.07043	1.1
82.07391	0.3
82.66206	0.3
85.02879	1.1
85.06541	0.5
88.47960	0.3
89.03909	3.2
91.05473	0.3
95.08615	0.6
97.02879	0.6
99.04414	0.4
107.04935	1.2
107.08650	0.4
109.02867	1.2
117.03374	4.6
118.76891	0.3
127.03918	1.7
127.04677	0.3
128.04262	0.4
131.08562	0.3
133.02846	0.3
135.04419	11.5
138.13635	0.4
145.02850	10.3
149.09750	0.3
162.16980	0.3
163.03903	100.0
164.04239	0.6
167.07019	0.4
177.05394	0.3
181.04953	3.5
186.05531	0.3
193.04919	0.5
209.11819	0.4
227.12761	1.1
279.26080	0.3
307.08109	2.4
325.09192	9.4
388.16354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.05507	6.6
57.03440	8.6
57.07083	3.5
59.04980	2.9
66.19112	2.1
66.91705	2.3
67.05516	16.3
69.03432	28.5
69.07069	11.1
71.04989	17.7
71.39669	4.3
79.05502	21.5
80.74684	2.5
81.03388	4.0
81.07060	100.0
82.07380	3.0
83.08625	7.2
85.02908	25.9
85.06512	2.3
87.04483	20.4
91.05480	13.3
93.07048	35.5
95.04998	6.4
95.08610	40.4
97.02896	56.1
97.06524	4.4
97.10160	3.3
99.04433	4.2
99.08054	2.6
103.05535	2.9
105.07036	41.8
107.05012	3.3
107.08599	43.7
109.02901	3.0
109.10164	40.7
111.08041	3.9
115.03930	39.8
116.98614	2.8
117.07015	2.7
119.08586	72.0
121.06522	2.8
121.10157	10.8
123.11700	17.3
125.09630	6.7
127.03918	7.2
127.11189	23.3
131.08586	4.4
133.04976	41.6
133.10141	39.3
135.11696	78.8
137.05994	7.7
137.13242	11.4
138.06442	2.3
143.10675	34.2
145.04973	8.4
145.10129	2.9
147.04431	3.4
147.11685	26.2
149.09563	2.9
149.13181	6.2
153.12756	10.2
159.11716	7.5
161.05937	2.7
161.13260	16.2
163.03935	3.9
163.06013	7.7
163.14807	3.6
167.07095	5.9
175.14868	2.9
177.05440	3.3
181.04980	2.6
189.16460	2.4
203.17972	67.4
221.19012	95.7
234.53136	2.6
239.20090	3.8
241.09859	4.7
253.09729	5.0
256.22800	3.0
259.08109	9.3
263.20352	2.7
281.09256	5.0
289.51080	3.3
295.10318	14.2
299.10223	15.7
300.11050	4.1
313.11792	4.4
317.21304	3.1
335.22092	7.4
353.23193	6.1
369.46616	3.1
373.13925	17.5
522.18164	3.9
550.18140	8.8
568.19867	5.8
583.59259	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	567.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.4
57.07064	8.6
57.75570	4.5
58.43810	4.2
62.22016	4.4
65.03936	7.2
67.05491	14.5
69.07069	22.2
71.60580	6.6
71.60994	5.6
79.05502	23.4
81.07054	46.4
85.06551	4.7
91.05472	31.3
93.07046	56.0
95.04971	6.8
95.08619	50.5
103.05454	7.7
105.07029	76.9
107.03336	4.7
107.08594	47.6
109.06535	14.4
109.10155	45.0
113.63018	4.6
117.07014	17.7
119.07783	8.9
119.08582	100.0
121.10153	56.3
123.08060	11.6
123.11706	14.4
128.06248	6.8
129.06982	12.8
131.08568	39.3
133.10144	57.7
135.11703	36.2
141.07010	9.2
142.07756	17.1
143.08583	33.9
144.09258	8.7
145.10133	67.1
147.08090	4.2
147.11655	23.0
153.06935	6.3
155.08533	14.3
156.09360	8.8
157.10138	38.2
158.10876	8.5
159.11684	49.1
161.13237	26.2
165.09155	7.0
167.08568	8.0
168.09320	6.7
169.10101	23.0
169.37849	5.1
170.10867	10.8
171.11674	23.2
173.13252	23.8
175.14769	25.9
179.08629	5.6
181.10117	16.5
182.10944	9.3
183.11693	22.7
185.13278	24.2
187.14819	15.3
193.10098	8.0
194.10901	8.6
195.11722	19.6
197.13156	27.0
199.14822	8.8
201.16338	8.3
203.14305	17.2
207.11775	12.6
209.13264	21.2
210.14078	5.9
211.10956	4.3
211.14816	18.5
213.16399	14.0
221.13248	11.3
223.14877	22.5
225.16385	12.8
235.14864	11.8
237.16299	11.3
247.14738	6.0
249.16344	6.8
261.16415	5.6
265.19504	6.8
267.20969	7.0
277.19412	7.3
281.22687	5.1
296.16605	4.9
316.86765	4.9
330.93076	4.7
331.24429	5.6
345.25912	24.6
345.29318	5.0
346.26538	17.2
364.91727	4.8
549.40979	11.1
567.25641	16.4
567.42004	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37593	0.5
53.03938	0.9
54.48826	0.4
55.01870	0.9
55.05264	0.7
55.05513	11.3
65.03928	0.6
67.05511	3.0
69.03410	1.1
69.07056	2.0
69.53972	0.4
69.67097	0.5
70.22763	1.3
71.04987	0.6
73.31213	0.4
79.05495	1.5
81.03429	1.4
81.07066	4.8
83.04983	54.7
85.02905	1.7
85.06535	0.7
91.05454	2.9
93.07051	3.3
95.04964	4.0
95.08604	7.6
97.02888	1.5
97.06532	1.4
99.04461	0.8
105.07035	5.2
107.08589	6.0
109.02886	0.8
109.06494	1.3
109.10156	3.6
111.04443	100.0
112.04819	0.7
113.06035	0.8
117.07032	1.2
119.08585	10.7
121.06528	1.8
121.10148	4.8
123.04417	0.5
123.08058	1.4
123.11709	1.2
125.06002	0.6
127.03925	0.9
129.05479	1.9
129.07014	0.7
130.07819	0.5
131.08563	2.9
133.06444	0.5
133.10135	6.3
135.08084	2.1
135.11691	2.7
137.05998	1.5
141.07077	0.5
143.08572	2.2
145.06532	0.6
145.10127	7.0
147.08025	1.1
147.11682	3.0
149.13266	2.6
151.07523	0.6
155.08533	0.6
157.10126	1.5
159.08076	2.5
159.11708	2.6
161.06068	0.7
161.09589	1.3
161.13235	2.4
163.03920	0.7
163.11220	0.7
163.14850	3.4
165.09152	0.5
167.06995	1.2
169.10083	0.5
171.11699	1.1
173.13246	3.7
175.11086	0.5
175.14813	4.5
177.05507	0.7
177.12701	0.6
177.16389	4.1
179.03348	0.5
183.11711	0.9
185.09628	0.8
185.13284	2.1
187.14842	9.1
189.05562	0.8
189.12836	1.1
189.16400	5.7
191.14455	0.9
191.17920	1.0
193.04858	0.6
197.13289	0.7
199.14847	1.9
201.09143	0.7
201.16380	5.1
203.14342	1.4
203.17932	2.8
205.15918	1.4
207.17444	0.7
211.14771	0.8
213.12718	0.7
213.16393	1.5
215.17986	1.3
217.04994	2.0
217.15894	1.1
219.17442	1.3
225.16565	0.5
227.17879	1.0
229.12112	0.6
229.16002	0.8
229.19487	1.0
235.06104	1.4
235.17039	0.6
239.17996	1.0
241.19521	0.7
241.34491	0.5
241.61655	0.5
247.16844	1.0
255.21069	0.6
261.18643	0.6
275.20370	0.5
295.24277	0.7
309.25742	0.7
315.19580	0.7
375.30344	1.8
391.30215	0.7
393.31628	4.6
409.30978	1.1
411.32559	1.5
417.31488	0.7
421.31119	1.7
439.32101	1.4
463.32263	3.9
499.49277	0.6
503.35040	1.0
505.33127	0.8
521.36273	1.3
549.35724	2.1
552.84058	0.6
567.27771	2.4
567.36890	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	567.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37593	0.5
53.03938	0.9
54.48826	0.4
55.01870	0.9
55.05264	0.7
55.05513	11.3
65.03928	0.6
67.05511	3.0
69.03410	1.1
69.07056	2.0
69.53972	0.4
69.67097	0.5
70.22763	1.3
71.04987	0.6
73.31213	0.4
79.05495	1.5
81.03429	1.4
81.07066	4.8
83.04983	54.7
85.02905	1.7
85.06535	0.7
91.05454	2.9
93.07051	3.3
95.04964	4.0
95.08604	7.6
97.02888	1.5
97.06532	1.4
99.04461	0.8
105.07035	5.2
107.08589	6.0
109.02886	0.8
109.06494	1.3
109.10156	3.6
111.04443	100.0
112.04819	0.7
113.06035	0.8
117.07032	1.2
119.08585	10.7
121.06528	1.8
121.10148	4.8
123.04417	0.5
123.08058	1.4
123.11709	1.2
125.06002	0.6
127.03925	0.9
129.05479	1.9
129.07014	0.7
130.07819	0.5
131.08563	2.9
133.06444	0.5
133.10135	6.3
135.08084	2.1
135.11691	2.7
137.05998	1.5
141.07077	0.5
143.08572	2.2
145.06532	0.6
145.10127	7.0
147.08025	1.1
147.11682	3.0
149.13266	2.6
151.07523	0.6
155.08533	0.6
157.10126	1.5
159.08076	2.5
159.11708	2.6
161.06068	0.7
161.09589	1.3
161.13235	2.4
163.03920	0.7
163.11220	0.7
163.14850	3.4
165.09152	0.5
167.06995	1.2
169.10083	0.5
171.11699	1.1
173.13246	3.7
175.11086	0.5
175.14813	4.5
177.05507	0.7
177.12701	0.6
177.16389	4.1
179.03348	0.5
183.11711	0.9
185.09628	0.8
185.13284	2.1
187.14842	9.1
189.05562	0.8
189.12836	1.1
189.16400	5.7
191.14455	0.9
191.17920	1.0
193.04858	0.6
197.13289	0.7
199.14847	1.9
201.09143	0.7
201.16380	5.1
203.14342	1.4
203.17932	2.8
205.15918	1.4
207.17444	0.7
211.14771	0.8
213.12718	0.7
213.16393	1.5
215.17986	1.3
217.04994	2.0
217.15894	1.1
219.17442	1.3
225.16565	0.5
227.17879	1.0
229.12112	0.6
229.16002	0.8
229.19487	1.0
235.06104	1.4
235.17039	0.6
239.17996	1.0
241.19521	0.7
241.34491	0.5
241.61655	0.5
247.16844	1.0
255.21069	0.6
261.18643	0.6
275.20370	0.5
295.24277	0.7
309.25742	0.7
315.19580	0.7
375.30344	1.8
391.30215	0.7
393.31628	4.6
409.30978	1.1
411.32559	1.5
417.31488	0.7
421.31119	1.7
439.32101	1.4
463.32263	3.9
499.49277	0.6
503.35040	1.0
505.33127	0.8
521.36273	1.3
549.35724	2.1
552.84058	0.6
567.27771	2.4
567.36890	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	567.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05508	1.1
57.07077	3.7
64.10600	0.2
65.03928	0.4
67.05508	8.2
69.03438	0.3
69.07071	8.6
71.08636	1.1
73.33907	0.3
79.05496	6.0
80.06289	0.3
81.07058	100.0
82.07395	0.5
91.05463	0.4
93.07044	1.4
95.08607	44.5
96.08932	0.6
97.02890	0.4
98.20720	0.7
98.98470	4.5
100.11213	0.3
101.58174	0.3
105.07052	0.4
107.08591	0.8
109.10161	4.0
116.99483	0.3
119.08633	0.3
127.03903	0.3
127.34765	0.3
133.06525	0.5
137.13255	66.3
145.10175	0.3
147.04510	0.3
154.94183	1.2
167.07047	0.3
168.95172	0.3
172.95238	3.3
184.07249	0.3
190.96359	1.5
225.11209	0.3
235.10945	5.4
252.91870	2.6
270.92929	3.6
277.11426	0.3
291.06589	1.0
303.95078	0.3
309.07712	0.5
357.46979	0.3
371.03305	4.3
389.04300	1.7
412.05850	0.4
507.15903	3.4
525.16095	0.3
575.66589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05505	1.8
57.07076	4.6
59.04996	0.7
62.53327	0.5
67.05506	7.9
69.07066	9.1
69.82933	1.7
69.83360	1.8
70.23502	0.6
71.04996	5.0
71.08620	0.7
73.06546	1.5
74.56297	0.5
79.05500	5.7
81.07058	100.0
82.07424	0.7
86.54375	0.5
88.06306	0.5
91.05493	1.4
93.07024	5.4
95.08607	42.2
97.06493	0.7
97.91562	0.6
98.21532	0.6
98.98458	3.4
103.05504	0.6
107.08601	4.8
109.02840	0.5
109.10147	2.8
123.04424	0.6
123.86250	0.5
127.03925	0.7
131.04947	1.3
133.06476	0.7
135.11707	9.0
137.06001	2.5
137.13258	62.5
138.13597	0.7
147.04425	0.8
152.71118	0.6
153.12749	47.7
154.13080	0.6
154.94139	1.1
163.24789	0.6
167.07056	9.1
168.07394	0.6
168.61574	0.6
171.13808	1.1
172.95255	3.1
190.96347	1.2
193.04974	0.6
193.08679	0.7
235.10957	15.6
252.08006	1.1
252.91985	2.2
267.02222	0.6
270.92920	3.6
278.63669	0.6
291.06549	1.4
313.10803	2.2
357.13391	1.9
364.58777	0.6
371.03351	4.3
389.04434	2.4
507.16000	3.0
525.17145	0.8
567.22229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05505	1.8
57.07076	4.6
59.04996	0.7
62.53327	0.5
67.05506	7.9
69.07066	9.1
69.82933	1.7
69.83360	1.8
70.23502	0.6
71.04996	5.0
71.08620	0.7
73.06546	1.5
74.56297	0.5
79.05500	5.7
81.07058	100.0
82.07424	0.7
86.54375	0.5
88.06306	0.5
91.05493	1.4
93.07024	5.4
95.08607	42.2
97.06493	0.7
97.91562	0.6
98.21532	0.6
98.98458	3.4
103.05504	0.6
107.08601	4.8
109.02840	0.5
109.10147	2.8
123.04424	0.6
123.86250	0.5
127.03925	0.7
131.04947	1.3
133.06476	0.7
135.11707	9.0
137.06001	2.5
137.13258	62.5
138.13597	0.7
147.04425	0.8
152.71118	0.6
153.12749	47.7
154.13080	0.6
154.94139	1.1
163.24789	0.6
167.07056	9.1
168.07394	0.6
168.61574	0.6
171.13808	1.1
172.95255	3.1
190.96347	1.2
193.04974	0.6
193.08679	0.7
235.10957	15.6
252.08006	1.1
252.91985	2.2
267.02222	0.6
270.92920	3.6
278.63669	0.6
291.06549	1.4
313.10803	2.2
357.13391	1.9
364.58777	0.6
371.03351	4.3
389.04434	2.4
507.16000	3.0
525.17145	0.8
567.22229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04134	0.7
53.03938	2.7
55.01865	1.8
55.05501	5.1
57.03440	1.1
57.07081	0.9
61.02910	0.7
65.03923	1.4
67.05500	19.3
69.03432	5.4
69.07065	7.4
69.81297	4.9
71.04998	1.1
71.08631	0.8
74.09756	0.6
79.05486	9.0
81.03422	5.6
81.07050	14.3
83.04977	2.3
83.08604	2.3
85.02905	6.8
85.06535	1.5
87.00823	3.5
91.05472	9.7
93.07046	14.4
95.04959	3.7
95.08045	1.4
95.08603	18.4
97.02880	9.6
97.06512	2.0
97.10183	1.3
98.20844	1.0
99.04436	1.8
99.08089	57.2
105.01852	2.8
105.06373	1.5
105.07028	15.9
105.07689	1.5
107.04951	1.4
107.07859	1.5
107.08590	23.8
109.02876	7.0
109.06527	1.8
109.10152	100.0
111.04458	4.2
111.08096	1.1
113.09634	1.7
115.32653	0.7
117.07015	2.2
119.04909	0.9
119.07774	1.5
119.08576	15.5
121.06525	3.4
121.10149	11.2
123.08089	1.6
123.11700	3.4
125.06005	1.8
125.09641	1.7
127.03911	12.8
129.06982	0.9
131.08569	4.0
133.06493	1.8
133.10126	8.9
135.04402	0.8
135.08096	0.8
135.11665	5.0
137.05951	2.2
137.13277	4.5
139.07544	3.3
142.07784	1.9
143.08556	2.8
144.09332	0.9
145.10124	7.2
147.08046	1.8
147.11694	13.9
149.09573	1.9
149.13275	3.8
151.07576	2.7
151.11185	2.2
155.57814	0.7
157.10144	3.4
159.02907	1.3
159.11671	7.0
161.09654	0.8
161.13248	1.7
163.03873	1.5
163.07579	1.6
163.11269	1.0
165.09152	2.1
165.12781	3.3
169.10158	1.3
171.11691	1.7
173.13258	2.9
175.11147	3.8
175.14835	1.0
177.09119	0.8
177.12732	1.2
181.12317	1.8
183.11696	0.9
185.13231	1.8
185.68010	0.7
187.11247	1.5
187.14815	1.0
191.10590	0.8
193.12222	15.2
193.13858	1.1
195.10129	1.0
199.11197	1.0
199.14801	1.7
201.12683	1.6
201.16510	1.0
205.12245	3.2
209.11679	10.4
209.13306	0.9
211.13277	30.9
211.15257	1.7
213.03931	6.1
219.13817	3.4
229.19647	0.8
231.04990	2.1
231.13869	0.9
233.15450	3.7
245.15431	1.7
249.14754	0.9
255.21307	1.5
273.22214	1.2
275.58298	0.8
283.20596	1.4
301.21680	5.1
319.22659	27.6
567.31415	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
55.05502	16.5
59.20725	2.1
64.17672	2.4
67.05507	16.0
69.03426	6.0
69.07065	7.8
70.84724	4.9
70.85060	3.7
79.05471	11.5
81.03432	3.2
81.07060	13.3
83.04992	12.6
83.08630	6.1
85.02915	3.8
91.05464	9.1
93.07052	21.3
95.04967	2.6
95.08606	70.5
97.02894	16.7
97.06519	3.3
97.10155	2.9
99.04478	2.1
103.46940	2.2
105.07037	23.3
107.08591	31.9
109.06483	3.4
109.10139	21.4
111.04437	26.7
117.06995	4.1
119.08575	23.1
121.10133	29.0
123.08059	2.7
123.11697	12.1
125.05981	4.4
127.03883	2.8
131.08553	11.1
133.10159	19.4
135.08037	2.9
135.11714	15.5
137.05978	4.4
137.13240	3.7
143.08527	5.7
145.10130	15.3
147.08057	3.1
147.11668	14.6
147.19756	2.1
149.13251	9.9
151.07539	4.0
157.03255	2.7
157.10149	9.0
159.11652	15.1
161.09581	3.4
161.13261	8.6
161.20224	2.2
163.07495	2.7
163.14799	4.3
165.09088	3.1
167.07074	4.1
169.10201	2.2
171.11700	6.7
173.09628	6.0
173.13257	7.7
175.14781	4.6
177.09076	3.5
177.16371	2.4
179.10651	5.4
185.13260	7.9
187.11171	9.5
187.14815	7.2
189.16415	2.7
191.10675	5.1
199.11131	3.9
199.14825	7.2
201.12807	2.8
201.16406	7.4
203.17961	7.6
205.12183	12.6
207.13913	2.5
213.12695	3.7
213.16345	2.7
217.12224	6.7
219.13733	6.0
228.18161	2.8
228.64822	2.8
231.13797	9.7
240.69992	2.8
241.19521	3.4
245.15346	10.0
255.21075	9.7
283.20654	11.7
287.20160	2.7
301.21613	100.0
319.22717	5.4
397.60831	2.3
567.27936	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	567.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43677	1.1
53.03937	4.9
55.01843	1.9
55.05306	1.2
55.05512	13.2
55.25261	1.1
57.07071	2.2
61.02893	1.2
65.03922	1.7
67.05502	15.2
69.03419	9.1
69.07059	12.5
69.99358	2.9
69.99775	3.4
71.04990	2.9
73.02906	1.7
79.05495	12.1
81.03429	8.9
81.07053	19.6
81.15629	1.0
83.04977	13.0
83.08626	8.8
85.02906	13.3
87.00828	9.7
91.05467	14.5
93.06472	1.6
93.07037	27.1
95.04962	6.4
95.08601	72.5
97.02882	15.1
97.06487	2.7
97.10137	4.4
98.84945	1.0
99.04430	3.8
99.08032	1.3
103.05435	1.2
105.01863	11.5
105.06371	2.0
105.07030	24.8
107.04940	3.8
107.08590	41.3
108.39789	1.2
109.02882	13.4
109.06504	3.6
109.09460	1.9
109.10153	25.1
111.04443	28.0
113.05905	1.2
117.06986	5.5
119.08578	37.4
121.06470	2.4
121.10136	37.5
121.86757	1.3
123.04424	4.3
123.08044	3.3
123.11698	10.3
125.05991	8.7
127.03912	19.2
128.06210	2.2
129.01822	1.5
129.06976	4.7
130.07756	1.3
131.08571	11.0
133.06520	2.2
133.10124	31.2
135.04364	1.3
135.08034	4.3
135.11681	23.2
137.05974	6.1
137.09595	1.8
137.13260	2.0
139.03889	1.9
139.07526	3.7
141.06964	1.5
142.07793	1.6
143.08586	10.5
144.09312	1.2
145.04951	2.1
145.06436	2.1
145.10107	16.3
147.08000	2.9
147.11674	17.3
149.05923	1.8
149.09581	2.3
149.13240	8.9
151.07542	3.4
151.11214	1.9
155.08554	2.4
156.09325	3.6
157.10138	11.9
158.10895	1.3
159.08032	2.7
159.11684	22.1
161.05884	1.3
161.09634	6.9
161.13225	10.7
163.03883	4.1
163.07552	3.3
163.11128	1.4
163.14792	4.1
165.09076	3.9
167.07034	3.2
169.10118	5.8
170.10878	1.3
171.08055	2.9
171.11668	17.4
172.12230	1.5
173.09625	5.7
173.13235	12.8
175.07541	2.6
175.11134	2.0
175.14824	3.9
177.09055	4.6
177.16394	2.5
179.10657	6.9
181.10094	1.3
183.11630	4.2
185.09637	4.7
185.13239	15.2
187.11191	11.6
187.14793	7.9
189.03923	1.6
189.09085	1.7
189.12691	2.2
189.16371	18.0
191.10652	5.1
191.17902	2.0
193.12234	2.2
195.11661	3.1
197.13261	4.3
199.11142	8.6
199.14798	5.1
201.12781	5.5
201.16405	4.1
203.10652	4.2
203.17888	8.5
205.12238	10.4
207.13713	1.7
209.13208	3.9
211.14809	2.1
213.03880	3.5
213.12723	12.5
213.16316	3.1
215.14299	2.9
215.17863	2.0
217.12215	10.8
219.13777	5.2
221.13394	1.3
223.14905	1.3
225.16368	5.7
227.14273	4.6
227.17934	4.2
229.12132	1.8
231.04982	5.4
231.13782	21.0
233.15315	2.9
239.17914	4.4
241.15860	2.1
241.19621	6.1
245.15395	11.0
255.21078	8.1
257.22736	1.2
259.16809	2.6
265.19482	2.3
267.17316	3.0
269.19025	10.1
273.22055	1.7
283.20532	12.6
285.18427	5.3
287.20044	84.0
299.19855	1.4
301.21597	100.0
313.21680	1.6
319.22586	4.6
325.21576	1.6
329.21002	1.6
347.21951	1.3
367.22604	3.5
381.24341	1.9
385.23856	1.8
391.22543	8.0
409.23715	17.8
427.24692	7.0
495.23505	1.6
513.24548	5.2
531.25891	2.7
549.26794	4.7
567.27631	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	567.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01862	1.8
55.05509	1.9
56.96550	3.1
57.03428	1.0
62.35699	0.8
65.03932	5.4
67.05491	1.8
67.36390	0.9
69.03419	2.9
69.07044	2.7
71.04980	2.3
71.33541	1.5
74.01552	1.0
77.03917	1.2
78.04698	3.1
79.05486	8.9
81.03412	2.6
81.07049	4.1
83.04994	1.3
84.96017	2.9
85.02908	7.8
91.03954	0.9
91.05464	9.3
93.03381	2.2
93.07033	3.4
95.04950	3.9
95.08588	3.9
97.02876	3.6
97.06519	1.1
99.08053	1.5
100.11246	1.7
103.05460	3.3
105.07021	11.6
107.04946	12.3
107.08585	3.2
109.02848	1.9
109.06527	0.9
109.10145	2.8
110.03626	3.7
111.04434	8.5
115.05441	4.6
117.07014	2.9
118.04124	2.4
119.04932	6.3
119.08552	3.9
121.06504	3.4
121.10156	2.5
122.03603	1.0
123.04432	7.2
123.11670	1.0
124.05219	2.2
125.05960	6.7
125.09599	2.9
127.03912	3.6
128.04230	1.0
128.06204	1.7
129.07002	6.3
131.04915	6.1
131.08556	2.6
132.05675	2.8
133.02861	1.7
133.06477	7.6
133.10135	2.0
134.03593	1.1
135.04414	1.6
137.05945	11.0
137.13208	1.0
139.07556	1.0
141.06964	1.6
143.08559	1.3
143.86038	0.9
144.05704	1.1
145.02827	1.1
145.04919	1.1
145.06467	2.2
145.10179	1.0
146.95259	1.0
147.04399	13.8
147.08022	3.1
147.11696	1.6
148.04761	3.2
149.05962	2.1
149.09602	2.9
151.03867	2.1
151.07469	2.2
152.04651	2.8
153.05453	25.8
155.04813	1.1
155.07050	2.0
159.04329	1.1
159.08026	6.5
160.05156	1.7
161.05968	12.9
161.09653	1.2
163.03975	5.3
163.07414	1.1
163.11127	1.2
165.05505	1.2
165.06985	1.1
167.07025	100.0
167.10628	5.8
168.05771	1.2
168.07291	1.2
171.04317	1.2
171.08060	2.3
172.05197	2.3
173.05983	1.7
175.07516	20.9
177.05450	2.8
179.05656	0.9
179.06953	5.3
181.04970	2.0
184.05130	1.5
185.05980	1.4
186.06645	1.7
187.07512	19.9
187.11136	0.9
189.05408	3.2
189.06976	1.5
189.09125	1.9
190.07845	3.1
191.07010	9.2
191.08574	2.3
191.10493	1.0
197.08124	3.1
199.07501	7.8
201.09114	1.2
202.07813	3.2
203.06984	1.4
203.08589	3.4
205.06572	1.6
205.10199	1.2
206.07289	1.3
207.06410	1.9
207.08165	2.1
207.10048	1.5
209.08084	3.9
213.07051	1.1
215.02391	2.3
215.06827	2.3
215.08665	1.7
216.07684	1.2
217.08595	1.6
218.07275	4.7
219.08090	4.8
220.08723	2.0
221.06024	1.4
221.09647	4.3
223.02795	2.0
223.07458	2.1
227.12730	1.2
231.08032	4.0
232.08783	2.6
233.05936	1.1
233.09633	3.5
234.06720	3.4
235.07506	4.4
237.09093	1.3
241.03836	1.4
245.05971	1.1
245.09627	1.2
246.06816	3.0
247.07602	2.9
248.08324	3.4
249.09056	6.1
250.09973	1.1
251.06998	1.6
251.10631	2.8
252.07695	1.0
259.07544	2.8
260.08267	1.2
261.05338	2.6
261.09143	4.8
262.06268	1.3
263.06909	1.9
263.10648	2.6
264.07745	2.9
265.08551	5.7
265.25046	1.1
266.09360	2.3
273.02942	1.1
274.06302	1.2
275.06940	3.4
276.07822	6.9
277.08566	5.2
278.09317	2.7
279.10086	3.2
280.07333	1.1
280.10980	1.1
281.11743	6.9
283.09650	1.1
283.26257	1.8
288.07755	2.0
289.08707	4.5
290.09500	1.4
291.06815	1.6
291.09988	5.8
292.07120	1.6
293.08017	2.8
293.11450	2.1
294.08740	2.6
295.09750	1.5
299.20126	1.7
304.07156	1.4
305.07919	1.3
306.08743	2.6
307.09604	7.8
308.10361	3.4
309.11185	9.9
319.09586	9.0
320.10175	2.1
321.11151	8.2
322.11981	1.3
323.12823	3.5
326.11597	2.4
334.77829	1.0
337.10663	1.0
338.10941	1.3
339.08258	1.9
339.12238	30.9
341.13843	19.8
351.12216	19.1
352.12756	1.8
353.13657	9.6
416.56332	1.1
443.20279	1.2
499.17752	1.3
508.90543	1.0
520.67651	1.0
551.09003	1.8
569.09424	1.5
586.20605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10947	0.4
53.25004	0.4
57.07066	0.7
64.67465	0.6
67.05492	1.2
69.50946	2.4
69.51371	1.4
71.08635	0.6
81.07027	0.5
81.15997	0.4
104.30784	0.5
105.07103	0.5
107.08602	0.7
109.10162	0.9
134.41537	0.5
135.11679	0.5
225.27805	0.5
282.27979	0.6
337.23428	2.5
467.38040	0.8
565.44409	100.0
566.44489	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01866	1.6
56.81757	1.0
65.03938	7.2
67.05504	1.7
69.03443	1.9
70.40742	4.3
76.49675	1.1
78.04691	2.5
79.05494	5.7
81.03432	1.2
81.07044	2.3
82.04195	1.0
85.02897	1.5
85.06502	1.2
91.05482	10.8
93.03423	2.0
95.04956	3.5
97.02928	1.5
103.05448	5.6
105.03443	1.4
105.07027	12.6
106.04164	1.4
107.04964	11.7
107.08589	1.8
109.10159	1.2
110.03690	5.5
111.04433	9.0
115.05451	4.8
117.07003	2.3
118.04134	2.1
119.04958	6.5
119.08585	2.6
120.91829	1.1
121.06528	1.7
122.03683	2.1
123.04406	5.9
124.05231	2.8
125.06012	10.4
127.03922	1.8
128.06230	2.1
129.07013	6.9
131.04919	6.7
132.05699	3.4
133.02852	2.4
133.06477	8.3
135.04362	1.4
136.05208	1.8
137.05986	12.6
138.03044	1.7
144.05721	2.6
145.06503	2.8
147.04405	10.3
147.08040	3.9
149.06009	2.7
151.03873	2.9
151.07491	1.7
152.04700	1.8
153.05473	40.3
153.06743	2.6
155.04927	2.3
157.06641	1.2
159.08064	6.6
160.05225	2.3
161.05992	14.8
161.09569	1.2
163.07495	1.9
167.07043	100.0
172.05287	2.7
175.07556	23.0
176.04741	1.3
177.05487	2.7
177.09213	1.2
178.07762	1.9
179.06985	7.4
179.08368	1.4
184.07434	1.5
185.05959	1.4
186.06718	1.8
187.07568	21.3
189.05453	8.3
189.06950	1.8
190.07721	2.3
191.07008	8.7
191.08580	3.7
198.06705	1.4
199.07614	8.6
201.09085	1.2
202.07808	4.9
203.08630	5.3
205.06477	3.2
205.10237	2.2
206.07249	4.7
207.06406	2.4
207.08144	2.3
209.08055	2.4
215.08670	1.9
216.07820	3.0
217.06572	2.1
217.08499	1.9
218.07266	4.5
219.08026	8.1
220.08818	3.1
221.09650	4.7
225.08931	1.3
229.08444	2.7
231.08040	4.7
232.08815	1.3
233.05956	3.0
233.09671	4.5
234.06769	3.7
235.07550	5.3
236.08247	2.9
237.09053	2.4
245.05966	1.3
246.06847	1.8
247.07547	5.1
248.08293	4.8
249.09076	8.1
251.07091	2.8
251.10710	6.0
258.06842	1.7
259.07593	4.0
260.08270	2.6
261.05466	3.6
261.09058	6.0
262.06277	2.1
262.09897	1.8
263.07077	3.1
263.10721	3.4
264.07953	6.0
265.08621	5.3
266.09241	2.1
267.10306	1.3
275.06946	3.1
276.07712	9.4
277.08557	7.8
278.09427	4.0
279.06683	1.7
279.10187	4.9
281.11804	8.6
288.07922	2.8
289.08463	5.7
290.09329	2.6
291.06735	1.5
291.10178	5.3
292.07239	2.6
293.08063	5.8
293.11658	3.7
294.08820	2.9
295.09714	2.0
304.07346	1.5
305.07877	3.1
306.08801	2.2
307.09579	19.6
308.10568	5.4
309.11191	12.0
310.11853	1.9
319.09671	12.6
320.10361	1.9
321.11191	10.3
322.11850	1.8
323.09210	2.3
323.12753	5.1
326.11398	1.9
336.09836	1.7
337.10809	2.4
339.12271	58.8
341.13849	27.5
350.47519	1.2
351.12305	31.7
353.13922	12.3
369.13303	1.6
458.29083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03447	3.9
55.05515	14.6
57.07082	8.2
57.62725	4.0
67.05506	32.6
69.07069	16.4
71.60646	5.1
79.05492	20.0
81.07064	37.2
82.40981	4.3
83.08621	8.8
91.05486	35.3
93.07039	41.7
95.04990	5.8
95.08611	37.5
105.07040	65.5
107.08603	46.4
109.06516	6.1
109.10171	55.2
117.07038	17.1
119.08591	100.0
121.10153	74.4
123.11737	18.5
128.06224	10.5
129.07010	14.9
131.08578	30.3
133.10130	49.1
135.11684	38.0
141.07043	11.1
142.07736	21.3
143.08545	32.7
145.10138	58.1
147.11719	22.1
149.09698	4.3
154.07771	5.2
155.08588	15.6
156.09372	14.7
157.10152	53.8
158.10988	7.1
159.08075	5.9
159.11696	33.9
161.09695	5.9
161.13295	7.8
167.08603	9.3
167.10747	10.1
168.09384	9.5
169.10107	27.3
170.10933	5.5
171.11716	31.1
173.09624	5.2
173.13286	21.6
175.11237	5.0
175.14842	45.2
179.08607	6.9
180.09291	4.8
181.10141	13.0
182.11008	10.2
183.11713	21.0
185.13271	18.8
187.11157	7.0
187.14830	16.0
189.12727	7.3
189.16388	6.6
193.10175	14.0
195.11646	20.4
197.13284	33.0
199.11212	8.7
199.14713	5.2
201.12708	5.7
201.16449	9.1
205.10213	5.4
206.10930	7.7
207.11745	17.0
209.13222	18.1
211.11278	6.0
211.14845	12.3
213.12766	6.3
213.16400	5.6
215.14302	10.5
221.13264	18.1
223.14864	16.7
225.12863	6.1
233.13327	6.2
235.14708	9.2
237.12599	5.2
237.16438	5.7
239.14230	6.9
247.14790	5.4
249.16397	5.2
253.19662	5.9
273.18582	42.3
279.21121	9.4
299.20129	53.6
325.21683	4.5
343.24203	5.1
351.22803	5.6
389.71381	4.9
443.29160	5.5
473.34244	12.0
547.38892	5.8
565.40479	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05521	15.0
57.07060	7.9
59.04996	2.7
65.03935	5.2
67.05500	25.2
69.03415	3.5
69.07074	16.3
70.94952	9.3
79.05497	23.2
81.07059	31.6
81.75116	2.7
83.04986	3.4
83.08613	6.6
85.06547	3.0
91.05481	42.8
93.07042	40.4
95.04972	8.8
95.08598	33.2
97.06546	5.2
105.07027	60.5
107.08595	37.2
109.06490	7.7
109.10150	28.5
111.08160	3.3
115.05500	3.7
116.06309	2.6
117.06996	14.3
119.08578	65.7
119.09363	5.2
121.10138	46.0
123.08071	7.3
123.11694	10.4
128.06233	9.9
129.07005	13.6
130.07790	3.7
131.08553	28.1
133.10123	59.2
135.08099	6.6
135.11687	18.8
137.09610	4.9
141.07030	3.4
142.07777	17.0
143.08568	24.8
144.09348	3.4
145.10127	41.1
147.08072	8.1
147.11708	11.6
149.09625	6.5
149.13255	3.1
150.04318	2.6
151.07539	4.6
153.06987	3.1
155.08578	12.5
156.09358	11.3
157.10127	33.8
158.10933	8.2
159.08067	4.1
159.11745	21.6
161.09662	4.3
161.13329	5.4
163.11266	4.4
165.07021	6.4
165.09113	16.2
167.08571	7.5
167.10741	7.9
168.09378	6.8
169.10141	22.7
170.10921	6.5
171.11707	19.8
173.09532	3.1
173.13278	25.5
175.11201	3.6
175.14839	9.2
179.08553	9.6
180.09319	6.5
181.10143	12.2
182.10870	3.7
183.11687	23.3
184.12540	4.0
185.09679	3.0
185.13310	11.3
187.11237	3.4
187.14780	14.5
191.12117	2.5
191.14302	3.9
192.09319	6.3
193.10161	12.3
194.10944	10.3
195.11752	16.6
196.12453	6.5
197.13220	17.5
199.14838	9.3
201.16415	6.2
203.14291	5.1
205.10165	4.7
206.10806	5.4
207.11714	15.0
207.13625	3.9
208.12482	7.6
209.13283	19.8
211.14832	11.1
213.16338	6.8
215.14165	3.3
219.11816	8.4
220.12477	5.8
221.13274	11.3
221.15407	17.0
223.14842	10.2
225.12767	2.9
225.16457	5.2
229.09789	2.9
230.10844	3.8
231.11722	5.9
232.12494	3.7
233.13246	8.5
233.15309	3.7
235.14838	6.9
237.12683	3.7
237.16425	8.2
239.17978	4.9
245.13266	5.7
246.13965	4.4
247.14789	8.2
249.16472	8.8
251.18010	4.3
253.19408	4.3
257.13300	3.4
258.14017	4.7
259.14859	7.8
261.16376	3.8
263.17947	6.9
265.19595	7.5
271.14893	3.2
272.15671	3.0
273.16248	3.1
275.17990	5.5
287.17798	2.8
289.19403	4.2
303.43445	2.7
329.22592	2.7
331.24429	6.4
354.55630	3.2
357.26086	4.1
473.34402	10.7
539.34827	2.7
547.39490	15.6
565.31647	5.7
565.40436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72924	1.5
53.03933	4.1
55.05508	6.9
57.07074	6.0
58.91471	1.5
59.04991	2.3
65.03936	2.5
67.05509	14.1
69.03435	3.4
69.07072	8.9
69.31709	17.3
76.81513	1.5
79.05492	16.4
81.07049	17.2
83.04987	3.1
83.08641	4.2
83.74934	1.5
85.06541	1.9
91.05486	25.7
93.07045	28.4
95.04980	8.8
95.08607	23.4
97.06516	3.6
103.05462	2.0
105.07030	47.3
107.04973	1.6
107.08598	24.9
109.06531	5.0
109.10175	14.3
115.05424	2.9
117.07036	9.7
119.08583	52.6
121.06477	2.1
121.10153	30.2
123.08089	9.7
123.11726	4.2
125.05930	1.6
127.79691	1.4
128.06197	8.7
129.06985	12.1
130.07808	2.9
131.08578	20.9
133.10123	29.5
135.08069	6.1
135.11650	9.6
136.50211	1.5
137.09645	6.1
141.07008	4.4
142.07813	15.9
143.08572	24.8
144.09334	4.4
145.10118	31.8
147.08038	12.6
147.11667	8.1
149.09673	3.8
149.13284	2.4
151.07571	5.3
153.07004	3.0
154.07811	2.5
155.08565	8.7
156.09352	13.3
157.10141	34.4
158.10931	3.9
159.11707	16.8
161.09662	3.2
161.13272	3.9
163.11226	3.9
165.07034	5.8
165.09117	21.2
166.07713	3.1
167.08607	8.6
167.10759	3.7
168.09386	3.6
169.10103	17.1
170.10944	6.2
171.11687	15.7
173.13257	13.3
175.11295	1.8
175.14850	5.2
179.08562	10.9
180.09378	4.9
181.10094	13.5
181.12355	2.8
182.10965	3.9
183.11705	15.2
184.12512	1.7
185.13286	16.7
187.14905	4.8
189.12860	2.4
191.08578	1.8
191.10629	1.7
191.14398	1.9
192.09377	5.2
193.10139	14.2
194.10931	6.8
195.11679	16.8
196.12502	5.2
197.03529	1.4
197.13271	13.8
199.14874	11.9
201.16367	1.7
203.14320	7.4
205.10136	4.4
206.10973	7.1
207.11745	13.1
207.13611	2.4
208.12502	5.4
209.13274	15.5
210.13893	2.8
211.14757	8.3
213.16434	4.6
215.14178	2.0
217.09904	1.9
217.15936	2.0
218.10905	3.7
219.11673	5.2
220.12498	4.5
221.13292	12.0
221.15425	31.9
222.14021	2.8
223.14857	9.3
225.16417	5.6
230.10886	3.4
231.11739	4.7
232.12523	2.9
233.13278	7.5
234.14038	3.8
235.14882	6.3
236.15558	2.2
237.16275	3.8
239.17863	3.2
243.11823	1.9
244.12447	2.7
245.13370	4.8
246.13991	2.4
247.14890	7.3
247.17030	1.9
248.15588	2.2
249.16376	4.1
250.17307	2.0
251.18069	6.6
253.19525	1.7
257.13382	1.8
259.14874	5.5
260.15515	2.0
261.16470	4.8
263.18042	6.8
265.19626	6.6
273.16467	4.5
275.17984	4.9
277.16644	1.8
277.19589	4.3
279.21295	2.5
283.20605	2.2
287.17831	4.4
289.19513	3.3
295.20886	1.9
301.19354	2.5
313.19388	2.0
331.24326	4.8
357.26111	4.3
365.24954	2.6
385.29047	4.9
473.34256	4.7
485.34460	4.3
491.90491	1.6
509.34320	1.7
547.39496	6.6
565.40430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52262	2.1
53.03935	4.3
55.05510	10.0
57.07078	5.7
65.03951	3.9
66.35221	2.8
67.05513	18.9
69.03429	4.7
69.07077	13.3
69.60015	18.9
71.04970	2.0
74.08613	2.1
79.05514	16.2
81.07050	23.6
83.04967	3.8
83.08632	5.7
85.06548	2.7
87.00054	2.2
91.05494	31.4
93.07050	32.9
95.04997	8.9
95.08616	27.9
95.93019	2.2
96.56488	2.0
97.06535	3.5
103.05473	3.0
105.07032	55.9
105.07668	4.0
107.08604	27.0
109.06539	4.4
109.10146	20.6
111.08080	2.7
117.07018	12.3
119.08585	65.3
121.06554	2.6
121.10154	42.8
123.08115	7.1
123.10912	2.3
123.11733	7.8
126.04668	2.6
128.06258	3.8
129.07021	14.5
130.07770	4.1
131.08572	23.3
133.10129	39.1
135.08112	6.3
135.11719	15.4
137.09660	7.0
141.07021	5.9
142.07782	16.0
143.08566	34.1
144.09364	6.3
145.10132	40.4
147.08069	6.3
147.11679	12.0
149.09676	7.5
151.07544	4.5
153.07083	4.2
155.08539	12.2
156.09361	13.8
157.10149	39.2
158.10921	2.7
159.11690	19.7
161.09656	4.4
161.13300	4.6
163.11185	5.1
165.06993	6.0
165.09096	11.0
166.07841	4.0
167.08704	6.3
167.10771	9.2
168.09396	6.4
169.10149	19.9
170.10947	8.1
171.11714	21.6
173.09677	3.7
173.13254	20.8
175.11310	2.8
175.14900	10.5
179.08658	8.5
180.09372	5.5
181.10123	12.9
182.10999	6.3
183.11694	20.1
184.12534	4.9
185.13293	16.8
187.14903	8.0
188.62851	2.4
191.08626	2.8
192.09473	3.9
193.10086	12.5
194.11017	4.4
195.11681	17.5
196.12520	5.9
197.13303	17.5
199.14850	17.4
201.16457	4.5
203.14357	3.7
205.10144	3.1
206.10988	6.7
207.11707	14.9
208.12502	4.3
209.13255	17.6
211.14894	9.2
213.16470	4.0
217.10155	4.7
219.11794	5.2
220.12495	2.7
221.13367	11.7
221.15459	14.6
222.14043	4.2
223.14844	14.0
224.15698	3.3
225.16489	6.6
231.11778	6.8
232.12593	4.2
233.13336	7.6
234.14069	3.0
235.14975	11.4
237.16492	7.3
239.18031	5.1
243.11781	3.3
245.13329	5.9
246.14052	4.4
247.14923	7.3
249.16637	5.1
251.18056	7.8
253.19577	3.4
257.13345	5.3
258.14102	2.9
259.14926	6.3
260.15591	3.2
261.16504	8.0
263.18140	7.3
265.19614	7.8
271.14804	2.4
274.17307	2.9
275.17960	4.5
277.19638	5.9
279.21130	2.5
283.20688	3.6
285.16171	3.1
287.17825	3.5
289.19498	6.6
291.21304	2.7
297.16327	2.7
299.17953	2.9
301.19470	2.8
329.22366	3.7
331.24164	3.6
343.24191	2.7
357.25800	4.6
365.24905	4.5
385.29031	3.5
395.27930	2.3
409.28790	3.5
473.34500	7.9
509.34366	2.4
517.21698	2.4
547.39209	14.9
565.40540	100.0
566.39984	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	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.1
55.32309	9.9
60.97495	10.7
61.86311	10.2
67.05496	34.2
69.07062	23.9
71.60551	11.9
71.61004	14.1
79.05478	20.9
81.07042	49.4
90.68150	12.1
91.05459	41.8
93.07047	55.2
94.20151	11.7
95.08565	23.0
105.07021	72.2
107.08598	78.3
109.10161	43.9
115.05450	11.5
117.07019	13.8
119.08592	100.0
121.10155	85.0
123.11658	17.1
128.06122	13.9
131.08533	39.5
133.10100	37.5
135.11713	36.0
142.07762	29.6
143.08575	34.1
145.10107	80.3
147.11716	16.6
155.08635	13.7
156.09366	17.7
157.10098	48.5
158.99011	10.9
159.08076	14.9
159.11700	18.2
167.08585	24.7
167.10686	23.1
168.09320	15.9
169.10136	36.9
171.11694	33.9
173.13304	30.7
175.14865	22.2
182.10898	17.9
183.11713	25.6
195.11693	35.8
197.13214	34.6
209.13322	15.6
223.14845	27.5
225.12872	12.4
233.15332	37.2
235.14819	14.1
299.20013	27.7
405.27670	14.2
443.29364	16.3
565.40234	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03943	2.8
53.29974	0.8
55.05512	6.9
57.07065	4.8
59.05001	2.5
65.03948	1.7
67.05502	15.0
69.03424	3.0
69.07075	8.1
71.61243	1.8
79.05492	13.1
81.07059	18.9
81.08358	0.8
83.04979	2.6
83.08624	3.7
85.02899	0.9
85.06548	2.3
91.05480	25.8
93.07044	30.5
93.07632	1.8
94.02449	0.7
95.04979	6.7
95.08604	21.8
97.06554	2.1
97.10177	1.2
103.05482	2.8
105.04574	1.0
105.07028	45.2
107.08600	23.1
107.09298	1.8
109.06513	4.4
109.10159	16.1
111.08091	1.6
115.05462	3.1
116.06179	1.5
117.07027	9.3
119.08579	46.3
121.06467	2.0
121.10142	28.8
123.08063	9.0
123.11717	5.3
125.05991	2.2
125.09628	1.5
128.06187	5.9
129.06995	9.3
129.94580	0.8
130.07834	4.4
131.08572	18.5
133.06537	1.2
133.09123	1.3
133.10127	25.6
135.08107	5.0
135.11690	10.4
137.09608	7.0
141.06989	5.0
141.50391	0.8
142.07779	17.1
143.08568	23.8
144.09346	3.4
145.06444	1.2
145.10120	29.1
147.08060	9.6
147.11691	9.0
149.09648	4.2
149.13210	0.9
151.07532	6.3
151.11182	1.1
153.07018	2.1
154.07790	2.5
155.08559	9.4
156.09344	12.0
157.10136	30.2
158.10907	4.3
159.08084	1.6
159.11694	15.0
161.09610	2.3
161.13260	5.5
163.11227	3.3
165.07056	4.1
165.09123	19.9
166.07793	1.2
167.08586	6.3
167.10667	4.1
168.09306	3.8
169.10133	15.5
170.10907	6.5
171.08026	0.9
171.11687	18.1
172.12434	1.5
173.09705	2.4
173.13260	14.4
175.11212	1.8
175.14830	5.1
178.07790	1.6
179.08557	7.7
180.07935	0.9
180.09296	4.7
181.10156	12.0
181.12245	2.8
182.10916	5.9
183.11690	13.9
184.12469	3.0
185.09596	1.1
185.13264	17.0
187.11137	1.3
187.14844	6.1
189.12802	2.3
191.08658	1.3
191.14304	1.8
192.09341	3.4
193.10127	11.1
194.10947	7.4
195.11700	16.7
195.13562	0.7
196.12454	4.2
197.13269	13.5
199.14853	11.3
201.12766	1.7
201.16464	3.0
203.08568	1.1
203.14322	7.7
204.09308	1.4
205.10172	3.4
206.10948	5.9
207.11719	12.7
207.13734	2.1
208.12413	4.0
209.13281	16.9
209.15314	1.5
210.14059	1.5
211.14799	8.5
213.16382	4.8
215.14267	1.7
216.09406	0.9
217.10201	1.7
217.15964	1.5
218.10986	1.9
219.11646	6.2
220.12361	4.1
221.13280	12.0
221.15422	34.1
222.14020	3.4
223.14799	9.3
224.15518	1.0
225.12712	1.3
225.16347	4.2
227.14388	1.3
227.17883	1.0
229.16028	1.0
230.11037	2.0
231.11679	4.6
232.12564	4.2
233.13254	6.6
233.15440	2.1
234.14030	2.6
235.14809	8.8
236.15601	1.4
237.16374	6.4
239.17909	4.0
243.11794	2.4
244.12556	1.9
245.13269	5.2
246.14040	3.1
247.14838	6.5
247.16891	1.8
248.15576	2.3
249.16417	5.8
251.17986	5.2
253.19626	2.8
257.13312	3.0
258.14059	1.6
259.14825	4.7
260.15671	3.1
261.16388	6.6
262.17084	1.4
263.17996	6.3
264.18658	1.4
265.19501	6.2
267.21158	1.4
270.13977	1.0
271.14780	2.5
272.15594	1.8
273.16431	3.2
275.17801	4.0
277.19366	3.8
279.17639	0.8
279.21014	2.2
281.18900	1.1
283.20654	2.4
284.15530	1.0
285.16461	2.3
287.20325	1.8
289.19553	3.2
291.17719	0.9
291.21216	2.0
295.20685	1.2
297.16364	0.8
299.17722	1.3
301.19568	2.3
303.21201	1.4
313.19464	1.1
315.21182	2.6
317.22830	1.7
327.21204	1.6
329.22726	3.0
331.24088	5.2
335.23807	1.0
337.19397	0.8
341.22736	1.7
347.23737	1.2
349.25226	1.1
357.25668	3.8
359.23758	1.1
365.24841	3.3
369.25616	1.0
385.28928	4.6
389.60394	0.8
453.30820	1.0
473.34381	4.6
485.34045	2.9
509.34583	1.1
529.37939	1.0
547.39374	5.9
548.50348	0.9
565.40411	100.0
566.40912	1.6
592.70276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01860	1.6
55.05507	3.8
55.31210	1.4
57.03450	1.7
61.02927	1.9
67.05503	8.5
68.89114	1.3
68.99790	2.3
69.03434	9.2
69.07062	4.2
71.04998	1.6
71.58282	1.7
73.02921	1.8
79.05499	7.3
80.47148	1.2
81.03429	9.3
81.07056	10.8
83.08611	3.2
85.02905	16.5
87.00837	8.5
91.05484	12.8
93.07047	14.6
95.04958	3.0
95.08601	20.4
95.64021	1.3
97.02912	8.8
97.06535	1.7
99.04451	4.4
101.02386	2.3
103.05487	2.0
105.01866	9.0
105.07027	20.7
107.04937	3.5
107.08598	21.6
109.02881	12.6
109.06531	6.4
109.10158	8.3
111.04461	10.3
111.08068	1.7
115.05498	1.4
117.03377	2.4
117.06992	3.7
119.08580	47.2
121.06546	2.6
121.10152	9.4
123.08067	2.6
123.11694	2.1
125.06000	2.1
127.03909	27.0
129.07021	1.9
131.08554	10.0
133.06493	1.6
133.10132	21.9
135.08064	6.4
135.11664	3.0
137.06026	1.3
137.13211	1.6
141.06990	1.6
142.07770	2.5
143.08569	6.8
145.02855	9.5
145.04955	2.8
145.10112	12.3
147.04387	1.4
147.08037	1.9
147.11693	11.5
149.05965	2.6
149.09625	2.0
149.13272	1.9
151.07545	2.3
155.08586	4.3
156.09360	2.1
157.10133	9.4
158.10797	1.3
159.08095	2.2
159.11676	11.9
161.05969	1.3
161.09671	2.3
161.13245	6.2
163.11118	1.8
165.07130	1.2
165.09062	1.8
167.07065	2.3
169.10146	4.7
170.10985	1.5
171.11693	7.4
173.09602	2.4
173.13228	6.5
175.14828	1.9
177.05481	20.7
177.09012	1.3
179.10709	1.9
181.10049	3.0
183.11713	6.5
185.07516	1.1
185.09624	1.8
185.13272	5.6
187.11237	2.2
187.14810	3.8
189.09045	1.2
189.16315	2.1
191.10683	3.1
195.11641	1.7
197.13243	7.1
199.11224	2.2
199.14816	5.2
201.12766	2.1
201.16399	5.9
203.10657	1.8
205.12216	2.5
207.11661	1.6
209.13255	2.4
211.11110	1.6
211.14833	2.8
213.03899	3.5
213.12700	2.6
213.16391	1.4
215.10774	1.5
217.12318	1.8
219.13762	1.8
225.16376	2.0
229.12263	3.2
231.05043	6.8
237.16431	2.0
239.14339	3.3
239.18033	3.1
243.13841	2.9
249.05829	1.6
253.19611	7.8
271.20398	1.8
281.19009	4.3
299.20050	39.9
317.21115	100.0
318.21259	1.5
358.23721	2.3
405.08563	1.4
407.22351	3.1
438.50430	1.2
439.12299	3.1
443.24493	1.7
529.24219	3.9
547.25891	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01869	0.4
55.05515	2.8
57.07070	0.9
63.02368	0.6
65.03950	0.2
67.05500	1.6
68.99784	0.4
69.03422	1.7
69.07063	1.8
69.38189	2.6
71.05009	0.4
79.05498	1.9
81.03419	2.7
81.07049	4.2
83.04980	0.5
83.08627	2.9
85.02890	1.7
85.06544	0.8
87.00821	0.6
89.03912	6.4
91.05489	1.5
93.07043	1.3
95.04970	1.4
95.08609	3.8
97.02886	3.2
97.06516	0.5
97.10140	0.7
98.21465	0.5
99.04461	0.6
99.08072	0.3
105.01891	0.3
105.07026	1.4
107.04963	2.6
107.08608	1.6
109.02881	2.5
109.06517	0.6
109.10159	1.8
109.10806	0.3
111.04427	0.6
115.03923	0.3
117.03383	7.3
117.07016	0.6
119.04920	0.5
119.08587	1.5
121.06521	0.3
121.10149	0.6
123.04425	0.4
123.08062	0.5
123.11729	0.4
125.09665	0.3
127.03914	3.7
129.01830	0.3
129.06992	0.3
131.04915	0.4
131.08595	0.6
133.10130	0.8
135.04414	18.9
135.08023	0.6
135.11670	0.7
137.05991	1.3
137.13269	2.1
139.11133	0.2
145.02841	12.6
145.10097	0.9
147.04428	0.6
147.08043	0.3
147.11673	0.6
149.09596	0.4
149.13251	0.4
153.12668	0.4
156.20467	0.2
157.10150	0.4
158.06033	0.3
159.02969	0.2
159.11588	0.6
161.06055	0.3
161.09705	0.4
161.13203	0.5
163.03900	100.0
164.04207	1.3
165.12744	1.0
167.06990	1.2
167.14342	0.8
167.61194	0.2
173.05940	0.3
173.13271	0.4
175.11174	0.3
177.05466	0.6
177.12799	0.4
179.10732	0.5
179.14238	0.4
181.05029	1.5
183.11577	0.3
184.07347	0.3
186.05492	0.7
187.07564	0.3
193.08630	0.3
213.04073	0.4
215.14209	0.2
217.15970	0.4
221.74773	0.3
227.14233	0.3
245.15359	1.2
246.30595	0.2
263.16470	0.7
281.17514	0.3
281.24765	1.0
299.19833	0.4
317.21036	0.6
323.07718	0.6
349.16385	0.4
367.05502	0.3
367.17477	0.4
393.08182	0.3
411.09210	5.4
412.09711	0.3
443.20758	0.3
547.21692	1.0
565.27448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14215	0.3
53.03944	0.8
55.05495	1.0
57.03427	0.4
57.24739	0.3
63.02366	0.4
67.01858	0.4
67.05481	0.7
69.03426	2.0
69.07066	1.8
71.04994	0.3
71.59417	0.4
79.05480	2.1
81.03423	2.4
81.07056	3.4
83.04984	0.6
83.08604	1.0
85.02901	2.1
87.00829	0.5
89.03911	6.7
90.10275	0.3
91.05475	1.6
93.07034	2.2
95.04989	0.4
95.08604	2.2
97.02890	3.4
97.06509	0.4
97.10186	0.4
99.04441	0.7
105.01862	0.7
105.07027	1.5
107.04945	2.2
107.08583	1.4
109.02885	3.0
109.06511	1.4
109.10155	0.8
111.04436	0.6
111.08067	0.6
117.03374	7.3
119.08566	1.3
121.10108	1.5
123.08041	0.5
123.11709	0.4
127.03931	2.7
127.63103	0.4
129.07037	0.5
131.08562	0.5
133.10072	0.5
135.04414	18.6
135.08060	0.6
135.11707	1.1
137.13251	1.1
143.08517	0.4
145.02846	12.1
145.03993	0.8
145.10130	0.4
147.08069	0.3
147.11688	1.0
153.12680	0.4
158.06029	0.3
159.11649	0.6
161.09578	0.6
161.13229	0.8
163.03899	100.0
164.04240	1.1
165.12782	2.3
173.13354	0.6
177.12782	0.5
179.14241	0.5
181.04945	1.7
186.05539	0.7
203.14354	0.5
213.04079	0.5
227.14285	0.7
245.15375	2.7
263.16428	1.1
281.24747	0.5
282.25055	1.0
290.27121	0.3
307.08344	0.4
311.12131	0.3
349.16614	0.8
367.17599	0.6
411.09189	6.6
520.15143	0.3
547.21759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01883	2.5
55.05509	2.7
56.59122	1.9
67.05504	4.5
68.99781	3.0
69.03434	6.7
69.07060	3.0
69.48365	1.6
70.77566	3.6
71.04992	6.0
79.05503	4.3
81.03423	13.3
81.07069	8.7
83.04962	3.0
83.34335	1.3
85.02924	7.9
90.15736	1.3
91.05479	19.1
93.07032	12.7
95.04973	5.2
95.08641	3.8
97.02883	14.6
97.06537	1.8
99.04463	2.4
99.08115	1.6
105.07035	13.6
107.04961	2.5
107.08603	12.6
109.02885	27.9
109.06530	5.9
109.10172	4.2
111.04446	3.4
111.08067	2.7
113.06030	2.8
117.06995	2.8
119.08590	38.8
121.06516	3.4
121.10151	8.8
123.04420	15.6
123.08066	4.4
123.11717	1.8
125.09637	2.0
127.03922	49.7
128.06198	1.9
131.08574	2.5
133.06425	2.6
133.10144	26.6
135.11700	4.8
137.05992	4.4
137.09607	2.8
139.03928	5.3
143.08568	5.0
145.04933	4.9
145.06415	2.1
145.10176	3.6
147.04401	4.6
147.08060	15.9
147.11671	2.1
151.07553	4.9
151.11224	2.8
155.03407	5.3
161.05936	2.4
161.09656	15.9
163.03906	3.2
165.05504	1.7
165.09096	17.3
167.07095	3.9
173.05916	1.7
175.07535	2.7
179.07040	15.4
179.10655	14.1
181.04988	2.1
189.05481	3.3
189.09106	16.8
191.07072	1.6
193.05017	3.5
197.08098	100.0
207.10181	20.2
209.08257	3.0
217.05019	11.2
221.08101	2.5
225.11208	52.8
235.06033	6.5
239.09106	2.8
249.11301	2.0
263.09201	5.7
267.12317	13.0
287.09186	3.3
304.31998	1.8
305.10397	2.8
317.21204	12.1
323.11224	2.5
333.13318	5.5
351.14413	3.0
448.36621	1.6
565.20367	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10087	1.3
51.87975	1.1
53.03946	3.3
55.01850	1.1
55.05482	1.2
67.05495	3.9
68.99789	1.4
69.03431	7.7
69.45209	3.8
69.45634	6.8
71.04980	4.2
79.05495	3.0
81.03422	10.1
81.07051	5.1
83.04982	1.2
83.08586	1.4
85.02911	6.5
91.05494	7.9
93.07042	10.2
95.04969	4.1
95.08603	3.6
97.02900	10.8
99.04440	2.6
103.03926	1.6
105.07032	12.6
107.08607	8.0
109.02880	25.9
109.06495	5.8
109.10145	2.1
111.04400	1.5
111.08080	3.1
113.06017	6.4
119.08579	23.6
121.06529	3.2
121.10145	4.6
121.96939	1.1
123.04413	13.5
123.08071	5.1
123.11698	1.6
127.03916	42.2
128.06215	1.9
133.06496	2.4
133.10123	22.0
135.11723	2.1
137.09647	2.3
139.03867	5.5
143.08563	3.2
145.04947	4.6
147.04390	2.7
147.08038	13.8
149.20926	1.3
151.03905	2.5
151.07561	4.4
151.11153	2.9
155.03418	5.9
155.08681	1.4
161.05983	1.6
161.09599	15.4
163.03851	1.8
163.11253	1.6
165.05429	2.1
165.09084	17.8
179.07033	15.5
179.10658	11.7
184.07387	1.7
189.05449	3.2
189.09108	11.1
193.04977	2.6
197.08086	100.0
200.34993	1.1
203.07100	2.2
207.10178	22.6
209.08035	2.4
217.05008	9.5
221.08032	5.6
225.11212	58.1
226.11505	1.6
235.06041	5.7
239.09152	4.0
245.08350	1.2
249.11061	4.2
249.45111	1.1
263.09073	5.2
267.12274	14.5
275.09131	3.4
287.08990	2.9
290.37851	1.2
305.10199	3.0
305.13739	2.3
307.36789	1.2
323.11246	3.2
333.13345	5.9
341.12491	2.9
351.14362	3.7
565.22015	1.1
565.29846	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.05502	1.0
57.03433	1.2
67.05513	3.1
69.03435	4.7
69.07047	1.5
70.14725	3.0
71.05006	3.7
79.05510	2.9
80.01549	0.6
81.03421	10.4
81.07064	4.5
83.04953	0.9
83.08591	1.1
85.02898	2.2
91.05479	6.0
93.07043	6.3
95.04981	3.4
95.08591	2.4
97.02892	8.2
99.04453	2.7
105.07033	8.8
107.04957	1.8
107.08595	6.0
109.02879	33.9
109.06492	5.6
109.10127	3.2
111.04415	0.9
111.08082	1.5
113.06029	3.6
114.66290	0.6
115.05478	0.6
117.07001	1.3
119.08575	21.0
119.86019	0.6
120.05717	0.6
121.06487	2.2
121.10121	3.8
123.04430	22.4
123.08028	4.1
123.11662	1.4
127.03915	46.5
129.77626	0.6
131.08594	1.2
133.06496	1.2
133.10132	19.4
135.07991	1.0
135.11685	0.9
137.06026	1.5
137.09616	2.2
139.03918	3.8
143.08556	3.1
143.30048	0.6
145.04979	3.5
145.06480	1.2
145.10150	0.9
147.04433	1.0
147.08047	12.0
151.03870	1.4
151.07536	8.9
151.11191	1.9
155.03395	3.9
161.06001	1.2
161.09610	13.8
163.03932	1.3
163.11160	1.7
165.05556	0.6
165.09113	13.8
175.07535	1.0
179.07036	18.1
179.10646	8.1
185.31882	0.6
189.05473	0.9
189.09102	10.6
193.04935	0.8
197.08089	100.0
198.08438	1.2
207.10165	17.4
217.05000	3.7
221.08029	0.8
225.11208	45.3
226.11517	1.0
235.05978	1.4
239.09131	0.9
247.20224	0.6
249.11211	1.5
263.09088	0.9
267.12253	16.3
305.10339	0.7
308.06400	0.6
315.12482	0.6
318.29907	0.6
333.13324	9.4
341.12222	1.7
343.19217	0.6
351.14322	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	565.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10224	0.2
53.03943	1.5
55.01849	0.2
57.03418	0.2
57.07063	0.4
67.01855	0.7
67.05489	0.8
68.99778	0.5
69.03138	0.2
69.03426	2.7
69.99723	0.9
70.00128	0.4
70.45648	0.2
71.04979	0.7
79.05488	1.8
81.02988	0.3
81.03424	4.0
81.07052	21.7
85.02892	2.6
87.00824	1.0
89.03908	4.6
93.07014	0.3
95.04962	0.4
95.08593	2.8
97.02273	0.4
97.02882	5.7
99.04434	1.4
105.01836	0.4
107.04955	1.6
108.43895	0.3
109.02875	8.8
109.10168	0.3
111.04475	0.3
117.03371	5.6
122.00781	0.2
123.04409	0.3
124.92182	0.2
127.03917	7.8
129.01843	0.6
135.04411	14.4
137.13252	8.6
145.02835	10.6
145.03995	0.4
145.04713	0.3
147.02882	0.3
163.03893	100.0
164.04277	0.7
164.67570	0.2
181.04956	5.5
186.05452	0.7
189.05602	0.2
213.03989	0.8
217.04900	0.3
227.06943	0.5
231.04980	0.9
271.06049	0.3
293.53995	0.2
307.08081	1.4
339.04993	0.4
393.08182	0.8
411.09195	24.3
412.09357	0.5
481.11108	0.5
565.30310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46367	0.2
53.03936	0.6
55.05503	0.5
57.03394	0.2
57.07056	0.7
58.73655	0.2
58.99711	0.2
63.02370	0.5
66.81316	0.2
67.01862	0.2
67.05508	1.6
68.99789	0.5
69.03414	1.3
69.07061	0.5
70.78244	0.6
70.78596	0.3
71.04983	0.3
79.05493	1.7
81.03412	2.5
81.07059	6.9
83.08655	0.3
85.02906	1.1
87.00837	0.5
88.92330	0.2
89.03407	0.5
89.03923	7.1
91.05479	0.9
93.07040	1.0
95.04992	1.7
95.08608	4.6
97.02879	2.5
99.04457	0.9
105.07030	1.1
107.04955	2.3
107.08570	1.3
109.02892	3.1
109.10159	1.7
111.04428	0.6
113.06017	0.5
117.03380	8.8
119.08574	0.9
121.06560	0.3
121.10124	0.8
123.08060	0.4
123.11702	0.6
127.03909	2.9
128.06166	0.3
131.08563	0.3
133.02861	0.7
133.06491	0.6
133.10104	0.9
135.04414	19.5
135.11740	1.1
137.05962	0.4
137.09621	0.4
137.13254	8.3
145.02847	11.6
145.10144	0.8
147.11679	0.7
149.09601	0.3
157.10155	0.4
159.11681	0.6
161.05968	0.4
161.13263	0.5
163.03905	100.0
164.04257	0.7
165.12741	0.7
169.10124	0.3
173.13344	0.3
181.04974	1.2
181.30434	0.3
184.07349	0.3
185.13338	0.4
186.05493	0.6
187.11166	0.4
189.05443	0.6
189.12755	0.4
195.13783	1.2
197.13315	0.3
199.14836	0.4
201.12666	0.3
210.05853	0.3
213.03986	0.5
217.04945	1.8
231.05057	0.5
239.17912	0.3
245.15375	0.9
263.16403	1.6
271.16754	0.4
275.19992	0.4
289.21579	0.8
299.20007	0.9
307.08002	0.4
317.21158	1.0
323.18573	0.3
349.16486	0.5
367.17526	0.8
393.08362	0.3
411.09250	6.0
443.20670	0.5
547.21631	3.6
565.26025	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	565.1552
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.88839	0.1
55.01866	1.0
57.03179	0.2
57.03433	2.0
57.58812	0.1
59.05006	0.2
61.02909	0.4
67.00167	0.1
68.99793	0.3
69.03430	1.1
69.28739	1.4
70.06566	0.2
71.01339	0.6
71.04985	0.6
72.01244	0.1
73.02912	1.4
85.02901	2.2
86.09698	0.3
87.04460	0.4
94.96172	0.1
96.04487	0.1
97.02881	1.5
98.03201	0.2
103.03953	0.3
107.04940	0.3
111.00790	0.3
115.03915	1.1
119.74551	0.1
121.02867	1.5
127.03915	0.3
129.05484	0.4
129.84108	0.1
133.02866	0.3
133.04951	1.3
135.04362	0.2
137.02347	0.5
137.06017	0.2
142.10617	0.1
146.24692	0.2
147.04427	0.3
153.01817	1.9
157.06422	0.2
163.03920	0.2
165.01849	1.5
183.02914	0.6
185.05907	0.2
213.03754	0.2
213.05460	0.8
220.06088	0.2
226.69559	0.1
231.06544	0.4
241.04929	0.7
258.05280	0.7
259.06009	0.4
287.05487	100.0
288.05829	2.1
383.07416	0.2
419.09399	0.1
433.11298	8.1
434.11639	0.3
460.13312	0.1
564.77960	0.1
565.21368	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1188
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.67717	0.2
53.03949	1.4
55.01875	1.3
57.03420	0.9
61.02914	0.9
61.12319	0.2
61.59399	0.2
68.99776	0.6
69.03079	0.4
69.03432	6.5
69.73027	1.2
70.36983	0.2
71.04974	0.9
73.02914	1.0
81.03416	7.4
81.07037	0.4
85.02905	11.3
87.00830	4.7
91.03961	0.5
92.02603	0.6
93.03396	0.7
97.02890	4.1
98.20846	0.3
99.04449	2.2
101.02338	0.2
105.01864	3.0
105.03426	0.2
109.02119	0.3
109.02879	6.3
117.01841	1.0
121.02837	0.5
122.35218	0.2
126.03113	0.4
127.03919	10.3
129.01837	1.0
137.02386	0.3
137.06007	0.4
139.03860	0.7
145.04955	2.6
147.02884	0.7
151.03877	0.3
153.01828	5.3
159.02885	4.1
163.03941	0.2
165.01732	0.5
177.03938	0.3
177.28162	0.2
201.05499	0.6
203.03374	0.3
213.03975	0.5
217.04999	0.4
218.05614	0.4
224.33652	0.2
228.04218	0.9
229.04996	2.5
229.07103	0.3
231.02927	0.4
231.05034	1.1
245.04434	0.8
246.05223	1.5
256.03821	0.3
257.04437	1.8
261.07608	0.3
273.03937	1.5
274.04727	3.3
284.03146	0.4
284.45273	0.2
285.03879	3.3
302.04224	9.8
316.05762	0.3
317.06555	100.0
318.06873	0.9
359.07547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.0
58.77248	7.7
67.05512	38.3
69.07052	28.4
71.58984	11.1
79.05498	19.4
81.07066	51.3
83.08613	20.4
91.05505	14.5
93.07043	42.5
95.04971	7.7
95.08608	100.0
97.10162	12.3
98.09240	7.3
99.08086	8.8
105.07040	18.4
107.08615	35.1
108.00166	7.0
109.10183	68.3
117.06989	8.9
119.08585	20.1
121.10133	51.2
123.11698	29.7
133.10138	20.7
135.11665	39.1
141.07361	7.2
147.11639	12.7
149.13277	32.9
159.11671	12.5
161.13220	12.7
163.14816	40.6
175.14693	8.8
177.16374	20.2
179.14284	9.8
187.14828	10.3
191.17923	30.1
217.19586	9.2
248.33798	6.9
303.51627	7.9
316.08670	7.0
320.72696	9.2
405.20731	11.3
517.39038	8.3
545.38538	17.3
563.26324	16.7
563.38922	29.7
563.51947	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
53.63159	2.0
55.01876	10.9
55.05514	34.8
57.03444	11.6
57.07056	6.4
63.24208	2.4
65.03926	5.2
67.05507	88.8
69.03426	11.8
69.07069	29.1
71.04978	6.8
71.59367	4.5
73.02907	7.5
73.34708	2.5
79.05067	3.9
79.05497	53.1
79.57207	2.2
80.80242	1.9
81.03420	24.2
81.07059	100.0
83.04982	14.2
83.05405	2.6
83.08615	28.2
85.02930	11.3
85.06531	6.7
91.05482	50.6
93.06470	4.2
93.07046	67.0
95.04966	15.9
95.08609	71.5
97.02921	2.6
97.06534	11.8
97.10176	20.5
99.08086	4.4
105.07041	48.4
107.04955	3.5
107.08598	44.5
109.02896	6.6
109.06503	5.5
109.10157	37.9
111.04433	14.6
111.08075	9.4
113.09606	3.1
115.05489	2.6
117.07032	19.1
119.08583	44.9
121.06556	4.0
121.10139	29.0
123.08092	5.0
123.11708	15.3
125.09632	14.1
127.03881	3.2
129.07001	11.9
130.99149	2.4
131.08591	31.6
132.99538	3.3
133.10135	37.6
135.08049	5.8
135.11702	23.6
137.09677	5.4
137.13280	3.2
138.65837	2.2
139.11180	3.5
141.07042	2.3
142.07790	5.1
143.08536	8.8
145.10135	33.2
147.08069	4.3
147.11681	25.6
149.09630	8.9
149.13208	13.0
151.11214	5.4
153.09137	2.4
153.12773	5.4
155.08566	6.1
157.10097	15.7
159.11693	23.3
161.09540	3.7
161.13243	11.7
163.11166	5.0
163.14847	4.4
165.34703	2.4
167.10687	2.4
169.10130	7.9
171.11627	11.0
173.09575	3.6
173.11946	4.5
173.13289	14.1
175.11200	7.8
175.14844	6.6
179.08572	2.2
181.10243	3.5
181.12198	5.4
183.11749	11.6
185.13263	5.7
187.14862	9.1
189.11154	11.9
189.16240	2.7
193.12256	11.9
195.11661	3.5
197.13307	5.0
199.14848	7.3
201.16432	2.8
209.13481	3.5
211.13271	18.9
211.14981	4.3
213.14693	2.9
227.12813	9.3
229.14343	7.1
245.22694	3.6
247.17226	3.1
261.22098	8.4
263.23651	7.1
267.15997	7.0
267.20837	2.5
271.20599	2.6
283.15222	3.1
285.16907	9.7
285.22134	3.0
289.21585	3.2
301.21722	2.9
301.25247	3.1
303.23160	9.2
315.23297	3.1
317.24792	4.5
335.25766	18.1
337.27420	4.1
391.28159	3.5
417.31497	2.9
435.32553	7.8
453.33484	12.8
471.34586	14.9
473.32770	3.9
487.34341	3.0
489.35870	5.9
509.36105	5.1
527.37335	46.2
545.38361	91.6
563.29132	7.9
563.39264	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	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01867	7.5
55.05510	27.4
57.03444	9.2
57.07344	1.5
65.03928	3.3
67.05504	76.2
67.60496	1.7
68.05835	1.7
69.03426	3.9
69.07059	17.7
71.04982	5.1
71.61061	1.8
71.61431	1.9
79.05489	44.5
79.46863	1.5
81.03408	19.0
81.07056	73.2
82.07355	2.2
83.04983	10.7
83.08619	21.8
85.02892	6.8
85.06545	3.3
91.05481	40.7
93.07041	51.9
95.04971	16.1
95.08602	50.9
97.06527	9.5
97.10176	12.7
99.04420	1.9
99.08087	5.1
103.05460	2.0
105.07032	37.0
107.04956	6.7
107.08585	33.4
109.06506	6.3
109.10149	27.6
111.04430	6.5
111.08064	8.4
113.09647	2.3
117.07014	14.0
119.08582	31.1
121.06516	3.0
121.10150	21.1
123.08064	2.7
123.11711	11.9
125.09612	10.1
129.07014	11.2
131.08557	27.2
133.06544	1.8
133.10117	20.3
135.08058	4.0
135.11693	18.5
137.09615	2.2
137.13232	2.8
139.11203	2.8
141.06979	3.8
143.08553	12.6
145.10121	19.7
147.08020	3.2
147.11682	19.9
149.09604	6.1
149.13248	9.5
151.11133	2.1
153.12793	3.0
155.08546	5.6
157.10129	14.0
159.11703	16.7
161.13278	9.4
163.11259	3.4
163.14793	3.7
165.12778	2.8
169.10130	6.5
171.11710	8.3
173.09648	2.7
173.11911	2.3
173.13275	10.4
175.11191	6.7
175.14832	4.4
177.12689	3.2
181.09940	2.3
181.12213	2.3
183.11676	3.2
185.13255	5.1
187.14793	3.9
189.11165	5.4
191.10661	2.1
193.12233	18.8
197.13274	4.2
199.14850	4.1
201.16319	2.2
205.15868	2.0
209.13356	2.4
211.13231	24.9
215.14294	2.4
218.04187	2.1
227.12727	8.5
229.14238	4.1
233.15253	1.9
237.16374	1.8
243.21068	2.8
246.70618	1.5
261.22177	14.1
263.23889	1.9
267.15970	5.3
267.21039	2.0
277.21713	3.3
278.11188	1.7
279.23242	2.9
283.15402	3.1
283.19098	1.9
285.16928	17.1
285.21927	2.5
299.23651	2.6
303.23080	6.7
317.24719	4.4
327.23151	2.6
335.25763	25.1
359.25790	3.4
417.31210	3.2
435.32452	7.8
453.33832	10.3
459.31293	1.8
471.24466	1.9
471.34808	10.1
473.32611	4.7
475.47598	1.8
487.34171	5.0
489.35669	2.6
497.08691	1.7
509.35626	1.9
527.37299	38.7
545.38342	100.0
546.38910	2.1
563.39246	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	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46899	2.3
53.03939	5.9
55.01861	5.1
55.05511	29.0
56.30680	2.2
57.03438	13.1
57.07076	3.4
59.04959	2.4
65.03934	2.9
65.53613	2.0
67.05505	77.6
69.03419	7.1
69.07067	22.0
70.02792	2.2
71.04984	7.1
71.60188	2.6
71.60680	3.2
73.02879	3.9
79.05493	51.6
81.03421	20.0
81.07059	78.3
83.04976	8.3
83.08611	22.7
85.02896	6.8
85.06535	5.8
91.05481	40.4
93.06476	3.6
93.07047	46.1
95.04984	14.7
95.08610	52.1
97.02879	2.5
97.06522	5.7
97.10164	18.2
97.69388	2.3
99.04456	2.7
99.08087	4.4
105.07039	35.8
107.04984	2.9
107.08602	36.7
109.02909	4.1
109.06497	5.8
109.10163	35.3
111.04431	6.9
111.08083	4.4
113.09665	3.8
115.05487	2.3
117.07021	15.3
119.08585	33.4
121.06488	4.6
121.10150	26.1
122.18973	2.4
123.08044	7.1
123.11724	13.4
125.09649	13.1
129.06996	6.7
131.08562	27.0
132.99500	3.5
133.10143	28.5
135.08064	4.2
135.11697	18.0
137.09663	4.7
139.11243	3.0
141.06969	3.0
143.08563	10.5
145.10130	25.0
147.08040	4.0
147.11665	19.7
149.09589	6.3
149.13246	9.0
151.11195	2.8
153.12750	5.5
155.08548	5.8
156.09306	2.6
157.10197	12.8
159.11678	18.2
161.13242	7.5
163.11189	3.5
163.14812	2.8
165.12694	2.9
167.08543	2.8
169.10115	3.4
171.11685	9.9
173.11838	3.8
173.13268	12.5
175.11218	6.7
175.14787	5.9
177.12798	3.0
181.12189	4.8
183.11691	6.7
185.13290	7.2
187.14818	8.3
189.11217	7.4
189.12752	3.7
191.14336	2.9
193.12245	9.7
195.11720	4.0
197.13339	5.1
199.14801	4.7
202.54567	2.3
207.11713	2.7
209.13326	5.3
211.13306	24.0
211.15036	4.0
221.15337	4.9
227.12767	9.3
229.14351	7.4
238.10051	2.4
243.20930	2.4
261.22116	9.9
263.23685	3.5
267.15912	2.7
279.23322	2.3
285.16855	13.5
285.21967	4.4
299.23688	6.1
301.25375	3.5
303.23184	8.3
311.23053	2.7
317.24652	3.5
335.25818	12.4
417.31580	3.3
435.32874	16.5
453.33951	11.6
470.16205	2.7
471.34723	14.1
473.32919	4.2
487.34329	4.2
489.35870	2.9
509.36020	3.1
527.37347	39.8
545.38300	100.0
563.21606	2.9
563.29364	5.5
563.39069	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01866	4.9
55.05511	33.4
56.72594	1.8
57.03429	8.8
57.07074	4.1
65.03940	2.7
67.05505	76.9
69.03431	3.5
69.07070	25.6
69.31876	5.0
69.32279	16.1
71.04983	6.9
72.07726	1.9
73.54114	1.8
78.60203	2.0
79.05497	46.5
81.03418	23.7
81.06579	4.4
81.07059	88.8
83.04989	11.7
83.08621	25.8
85.02898	8.0
85.06541	4.0
91.05482	44.7
93.06477	2.8
93.07046	51.9
93.56548	2.5
95.04987	13.4
95.08609	58.5
97.06512	9.4
97.10166	18.0
98.20621	3.4
99.08100	3.2
105.07035	45.8
107.04967	5.0
107.08595	36.9
109.06521	8.3
109.10159	34.3
111.04440	6.6
111.08074	8.7
111.23651	2.2
113.09633	2.0
115.05469	2.7
117.07034	16.8
119.08586	39.9
121.10155	27.1
123.08070	4.5
123.11716	11.8
125.09614	11.9
128.06227	3.3
129.07037	13.2
131.08574	33.9
133.06474	2.7
133.10124	31.6
135.08025	5.0
135.11703	25.4
137.09625	4.4
137.13234	3.8
139.11227	2.5
141.07007	3.2
142.07796	4.3
143.08546	14.2
145.10127	24.5
147.07968	2.7
147.11705	21.6
149.09602	7.5
149.13243	7.7
151.11194	2.8
153.09157	2.0
153.12688	3.0
155.08521	3.8
156.09366	2.3
157.10115	16.9
159.08127	2.1
159.11688	20.6
161.09628	2.8
161.13220	9.7
163.11172	6.8
163.14795	3.4
165.12796	2.0
167.08687	2.6
169.10129	8.8
171.11641	10.8
173.09624	3.2
173.11920	3.2
173.13277	13.8
175.11218	7.8
175.14873	3.4
177.12733	2.3
181.12268	3.1
183.11682	7.2
185.13255	6.1
187.14832	5.8
189.11226	7.3
189.16476	2.5
191.10440	2.2
191.14398	2.2
193.10516	3.5
193.12256	18.9
195.11673	4.7
195.13678	2.0
197.13263	5.8
199.14862	6.1
209.13271	3.4
211.11302	4.0
211.13234	34.6
211.14952	3.6
213.16412	2.3
221.13354	2.8
223.14926	2.4
227.12788	9.7
229.14287	6.4
247.17043	2.5
261.22064	11.7
263.17859	2.3
267.15845	4.2
279.23187	3.4
283.15451	3.9
283.19034	2.5
285.16934	17.4
285.22012	4.9
287.20004	3.0
293.21036	2.3
299.23645	2.9
303.23178	6.8
305.21173	2.3
317.24756	5.8
335.25790	17.9
359.25790	5.0
417.31253	4.2
435.32336	11.3
453.33612	10.8
471.34787	14.8
473.32477	3.8
487.34225	5.0
489.35608	3.4
509.36096	4.5
527.37457	42.0
545.38391	100.0
546.38733	2.6
563.39240	65.2
565.87476	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.6
53.03943	4.0
55.01877	2.0
55.05523	1.4
57.03434	1.8
57.07073	0.6
65.03932	0.6
67.05499	2.8
69.03430	15.0
69.03806	0.7
69.07071	0.9
70.47176	1.0
70.47563	1.1
71.04994	12.1
79.05494	3.8
81.03421	28.9
81.07057	6.2
83.01359	1.5
83.04981	1.3
83.08625	0.9
85.02900	3.4
85.06541	0.6
87.04488	0.8
91.05482	6.6
93.07050	10.8
95.04980	3.2
95.08609	7.7
97.02899	11.7
97.06549	1.2
99.04446	7.0
103.05457	0.6
105.07030	12.8
107.04982	0.8
107.08604	10.8
109.02884	87.1
109.06512	5.9
109.10158	3.9
111.04458	2.2
111.08086	4.3
115.03927	2.1
115.05420	0.6
117.07018	1.6
119.08584	26.4
121.06532	2.6
121.10156	11.7
123.08072	9.1
123.11702	2.7
124.08846	0.8
125.06018	0.7
125.09634	61.4
127.03921	100.0
128.06233	1.1
129.07068	0.5
130.07777	1.0
131.08589	1.7
132.05624	0.7
133.04979	0.5
133.06480	1.7
133.10133	24.5
135.08061	1.3
135.11702	2.8
136.29384	0.5
137.05991	1.5
137.09610	3.2
143.08543	4.4
145.04961	8.5
145.06262	0.9
145.06438	0.8
145.10146	1.9
146.07242	0.8
147.08055	12.5
149.05988	0.8
149.09509	0.6
151.07570	1.9
151.11150	3.2
157.10135	1.1
159.08070	0.9
159.11784	1.2
161.09631	16.8
163.07555	0.8
163.11224	2.7
165.09125	17.1
165.14372	0.5
169.10089	0.8
171.08099	1.1
171.11700	0.7
173.09581	0.8
173.13272	0.8
175.11206	1.0
177.09148	0.5
179.10672	12.6
183.11702	0.6
185.09613	0.9
187.14818	0.5
189.09117	12.9
197.08113	8.3
207.10179	21.5
209.08070	0.9
215.09167	7.7
225.11218	41.0
229.15886	0.7
249.11205	2.1
253.16022	0.7
267.12265	8.7
271.16937	1.8
285.18433	1.3
289.17996	2.1
295.16879	1.1
303.19614	1.1
313.17932	3.0
315.12192	0.8
331.19055	11.3
333.13370	3.8
349.20111	11.4
351.14374	12.5
377.03790	0.5
391.21179	4.1
439.21371	0.8
457.22250	11.9
475.23251	16.9
493.24310	1.0
541.24463	0.8
545.27448	4.6
563.30963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.2
55.01871	6.0
55.05519	6.5
61.02758	1.4
62.38723	1.3
65.03943	3.9
67.05506	11.1
67.49834	1.4
69.03435	9.4
69.07070	6.3
71.04998	2.8
71.60778	2.5
77.03915	1.5
79.05490	15.1
81.03418	59.5
81.07052	15.6
82.04205	1.5
83.04972	10.3
83.08633	4.5
83.31947	1.5
87.04421	1.5
88.27695	1.5
91.05486	21.9
93.03373	1.5
93.07046	26.5
95.04965	11.7
95.08595	13.9
96.52612	1.3
97.02887	9.6
97.06536	6.8
98.03699	1.5
103.05477	3.7
105.03427	3.2
105.07032	34.4
105.07677	2.6
107.04964	8.3
107.08595	26.8
109.02881	100.0
109.06522	7.2
109.10191	9.3
110.03653	14.4
111.04446	29.6
111.08080	3.3
115.05457	7.3
115.31122	1.6
117.07015	12.8
119.04951	2.7
119.07698	1.6
119.07909	0.8
119.08584	50.5
121.02863	6.0
121.06522	9.0
121.10149	16.2
123.04429	60.4
123.08102	3.6
123.11732	3.8
125.05960	1.8
125.09634	1.5
127.03939	11.7
128.06200	9.0
129.07014	21.3
131.04927	5.7
131.08592	8.3
133.06506	12.0
133.10130	24.8
134.57666	1.4
135.04425	4.8
135.08057	14.1
135.11687	5.6
137.02354	8.9
137.05969	9.7
137.09674	4.1
139.05466	3.7
141.07019	6.6
142.07878	2.1
143.04971	2.6
143.08562	7.8
143.71568	1.7
145.06468	10.3
145.07506	1.8
145.10139	12.8
147.04387	8.2
147.08052	21.0
147.11726	4.8
149.05981	6.7
149.09634	6.8
151.03934	4.3
151.07558	3.0
151.11192	3.4
153.05527	2.9
153.07014	3.0
155.08577	4.6
155.68324	1.5
156.09383	2.4
157.06474	16.4
157.10144	6.9
159.04405	2.5
159.08046	5.0
159.11737	7.9
160.05232	7.8
161.05988	21.1
161.09625	17.4
161.13232	2.9
163.03995	4.9
163.07576	3.5
163.11185	3.2
163.14859	2.1
165.05583	1.8
165.06992	3.2
165.09152	11.5
166.07835	1.8
167.03410	31.2
167.04732	1.5
167.08565	3.2
169.06552	3.4
169.10170	5.8
170.11012	2.2
171.04466	1.7
171.08055	3.8
171.11697	6.0
173.05989	20.4
173.09665	2.9
173.13286	4.6
174.06813	3.5
175.03975	2.9
175.07549	18.6
175.11293	2.3
175.14833	1.7
177.05495	2.0
179.08469	2.0
179.09387	1.5
179.10672	10.4
181.06496	2.5
183.08105	3.1
183.11755	3.3
185.06015	22.2
185.09598	2.9
185.13304	4.2
187.07515	10.4
187.11266	2.8
187.14795	3.5
189.05484	8.3
189.09108	10.7
189.16376	2.8
191.07047	2.9
191.08597	2.0
191.12645	1.5
193.10184	4.5
195.08110	4.7
195.11684	4.3
197.05948	3.1
197.09673	1.7
197.13286	3.3
199.07524	3.7
199.11142	2.6
199.14857	2.9
201.05478	30.6
201.07185	2.4
201.09146	2.9
201.12749	2.9
201.16373	1.8
202.06212	2.0
203.07022	59.5
205.04866	1.9
207.10110	14.2
209.09662	4.2
211.07625	3.7
211.11273	2.1
211.14784	3.4
213.05475	30.6
213.09125	4.9
213.12785	2.0
214.06267	7.4
215.07059	24.7
215.10550	2.8
217.08504	1.9
217.12305	2.8
219.06409	11.7
219.08185	1.3
221.05983	2.3
221.08064	23.8
221.10060	1.6
221.13321	2.0
223.11287	3.0
225.09084	3.7
225.11136	22.0
225.16364	1.8
227.07137	7.5
227.10715	5.3
227.14366	2.0
229.08611	4.5
229.12199	11.9
230.13034	2.0
231.06528	68.5
231.13930	2.1
237.09084	1.9
237.11232	3.1
237.16382	2.3
239.07013	4.7
239.10770	6.0
241.08577	2.4
241.12241	9.1
243.13931	2.0
245.07939	1.8
249.07532	44.9
249.12996	1.8
251.10684	3.8
253.08722	3.1
253.12341	3.1
255.10249	6.2
257.07996	2.0
257.11823	4.9
263.10736	2.5
265.08514	2.1
265.12457	2.8
269.08032	2.1
269.11615	2.0
269.18863	2.1
271.09747	1.7
275.14157	3.4
277.12311	3.3
278.12741	2.2
279.13837	2.1
281.11926	1.6
283.09818	2.3
287.16977	1.9
293.11920	2.4
293.15396	5.3
297.18536	3.5
303.13831	5.9
305.11746	8.0
307.13446	2.9
309.18954	2.0
313.18130	3.0
315.19556	23.6
319.13171	13.1
320.14035	3.9
321.14856	36.1
323.13052	2.2
327.19461	3.2
339.16000	9.4
347.12622	2.3
355.15549	2.4
361.18066	2.5
425.16052	1.8
435.21136	1.7
437.23416	4.7
453.33524	2.1
455.17023	2.8
481.22708	2.4
499.24966	2.6
509.23370	3.0
515.24841	3.1
517.25787	3.1
527.24268	14.2
535.27039	6.1
545.25378	51.9
563.26392	62.1
563.36774	3.3
564.26849	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
53.03941	4.2
55.01869	4.0
55.05518	4.9
57.03450	1.4
61.02919	3.5
65.03947	1.7
67.05176	1.3
67.05504	13.1
68.99781	4.5
69.03078	1.6
69.03429	25.5
69.07061	5.5
69.64098	6.8
71.04974	2.9
73.02931	1.3
73.21477	1.0
79.05496	18.1
81.03412	20.4
81.07053	18.3
83.04980	3.1
83.08598	2.4
85.02895	11.4
85.06564	0.9
87.00832	4.3
91.05476	24.3
93.07040	32.9
95.04964	8.1
95.08604	18.1
97.02894	12.1
97.06536	3.9
98.21524	2.0
99.04454	5.9
103.05489	1.9
105.01865	2.1
105.07027	33.4
107.04934	4.5
107.07869	2.0
107.08594	40.1
109.02870	17.7
109.06510	12.1
109.10154	28.9
111.04439	9.5
111.08078	2.9
115.05431	1.3
117.07016	7.1
119.04927	2.1
119.08582	35.2
121.06512	10.3
121.10150	16.7
123.04449	2.4
123.08076	6.5
123.11751	4.7
125.05959	1.9
125.09652	1.1
127.03915	100.0
128.06210	2.2
129.01851	5.0
129.07008	3.5
131.08583	13.1
133.06497	5.6
133.10123	30.0
133.11087	1.9
135.08051	38.4
135.11664	8.6
137.05988	1.9
137.09615	5.5
137.13281	1.7
139.07564	2.9
142.07747	3.0
143.08568	10.1
145.04939	5.5
145.06561	1.6
145.10126	11.6
146.07249	1.2
147.08043	16.3
147.11716	5.3
149.06003	1.3
149.09607	15.1
149.13222	2.3
151.11174	3.4
153.09077	2.9
155.08525	1.4
156.09340	1.7
157.10106	8.0
159.08069	2.5
159.11678	9.4
161.05998	1.4
161.09619	20.5
161.13222	2.4
163.03871	1.4
163.11186	7.6
165.07022	1.3
165.09117	16.6
169.10127	4.4
171.08002	1.6
171.11673	7.9
171.93655	1.1
173.09634	3.9
173.13235	2.2
175.11179	4.1
175.14781	1.1
176.11896	1.3
177.12779	3.2
179.10666	13.1
181.10136	3.0
181.12247	1.9
183.11673	2.2
184.12350	0.9
185.09666	3.2
185.13297	2.9
187.06006	1.7
187.11223	4.0
187.14880	1.9
189.09131	9.7
189.16357	1.6
191.10660	1.1
195.11649	2.8
197.09679	1.8
197.13261	2.1
199.11183	6.5
199.14810	3.0
201.09204	1.7
201.12738	2.2
203.10675	2.3
205.12288	3.1
207.10124	17.9
207.11795	1.6
211.11267	1.1
211.14845	1.6
213.03938	10.7
213.12721	2.6
213.16481	1.1
215.10776	1.5
217.12259	3.9
223.11124	1.0
225.11203	33.9
227.10658	1.3
227.17882	2.3
231.04929	8.5
231.13655	1.4
237.16577	1.4
241.12245	1.1
251.17914	2.7
255.17433	2.0
269.18958	4.6
273.18518	2.6
273.71457	1.0
279.17227	2.1
287.20044	7.6
292.19879	1.0
297.18518	13.9
315.19547	68.8
316.19824	1.4
333.13458	5.3
333.20605	4.3
351.14310	3.1
351.19281	1.0
355.15350	1.8
366.23547	3.1
381.20816	1.3
386.32819	1.0
405.20645	2.5
423.21707	2.3
441.22778	3.0
459.23569	2.1
501.25345	1.0
527.22662	3.4
545.23969	8.6
563.24896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05502	0.7
60.60051	0.3
61.02938	0.3
67.05495	0.5
69.03426	1.0
69.07076	0.4
69.88763	1.4
79.05483	0.7
80.09377	0.2
81.03419	0.4
81.07047	1.0
83.08616	0.4
85.02909	2.0
95.08605	0.8
97.02895	17.8
97.10179	0.8
98.98461	0.4
99.04494	0.3
107.08607	0.5
109.02869	0.7
115.03930	0.6
119.08627	0.2
125.09625	0.9
127.03919	100.0
132.05762	0.4
143.10681	0.3
177.05473	0.4
191.07021	0.3
192.07826	0.8
197.51053	0.2
221.11668	1.2
239.12738	0.3
257.13885	2.2
268.89163	0.5
275.14975	0.6
289.09225	3.7
312.69797	0.3
326.88800	0.3
406.23032	0.3
428.44980	0.2
453.91046	0.2
521.01788	0.3
549.82251	0.2
559.35492	0.3
563.33978	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	563.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01866	4.5
55.05501	3.8
57.03446	2.0
57.07065	1.3
60.58265	1.4
61.02917	4.0
65.03950	1.8
67.05224	1.5
67.05509	17.6
68.99786	4.5
69.03078	2.0
69.03431	31.0
69.07066	7.0
71.04986	4.0
71.60291	2.2
73.02912	2.2
79.05489	20.0
81.03416	21.1
81.07059	22.7
83.04984	6.4
83.08621	2.4
85.02919	15.4
87.00826	5.8
89.58205	1.4
91.05480	23.4
93.07044	39.9
95.04993	7.4
95.08610	18.6
97.02895	13.4
97.06521	6.8
99.04459	5.7
103.05442	1.5
105.07032	31.8
107.04942	5.1
107.08596	44.8
109.02882	16.9
109.06538	10.1
109.10158	30.6
111.04444	12.7
111.08041	3.3
114.70929	1.3
115.05407	1.5
117.07007	7.1
119.04932	2.2
119.08581	42.4
121.06522	11.6
121.10141	16.8
123.04440	3.5
123.08123	7.5
123.11707	4.4
125.06024	3.0
127.03919	100.0
129.01857	5.0
129.07019	3.1
131.08560	13.4
133.06485	6.1
133.09134	1.5
133.10130	36.1
135.08051	40.6
135.11665	7.4
137.05928	3.2
137.09593	6.6
137.13255	2.3
139.07503	2.4
141.14467	1.5
142.07808	2.3
143.08522	10.2
145.04948	5.6
145.06497	3.1
145.10104	15.2
147.02908	2.1
147.08047	15.1
147.11664	4.4
149.09608	19.5
151.11162	3.7
155.08554	2.6
157.10109	9.3
159.08067	2.4
159.11734	8.5
161.05957	2.0
161.09627	23.1
161.13307	2.8
163.11220	8.9
165.09126	21.3
169.10313	3.1
171.11723	7.4
173.09651	2.4
173.13269	3.9
175.11201	5.7
175.14740	1.8
177.05469	1.7
177.12727	3.1
179.10658	15.4
181.10138	4.3
181.12209	2.5
183.11729	2.8
185.09657	3.2
185.13255	3.2
187.05968	2.0
187.11212	4.4
189.09102	10.9
191.10750	1.8
195.11732	3.2
197.13234	3.5
199.11205	5.8
199.14836	4.0
203.10674	2.6
205.12294	3.5
207.10152	18.5
209.13397	1.8
211.14825	1.6
213.03940	11.5
213.12672	3.8
215.10756	1.5
217.12286	5.3
225.11191	43.4
227.18024	2.5
231.04979	17.7
237.16396	2.3
241.12247	1.9
245.15289	1.5
251.17961	4.4
255.17426	2.1
269.19101	7.0
273.18573	3.1
279.17358	2.6
287.20041	9.7
297.18463	16.3
315.19547	68.9
333.13315	6.3
333.20673	4.4
351.14557	2.2
405.20554	2.7
437.14630	2.3
441.22812	2.7
459.23605	2.4
527.22607	3.7
545.23480	10.3
563.25433	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2103
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
50.06172	0.2
50.21416	0.2
52.13226	0.2
56.05065	0.2
64.84637	0.2
69.03423	0.5
69.46567	1.1
69.47008	0.9
70.06600	1.2
72.08159	0.3
83.01098	1.0
83.05004	0.3
83.64877	0.3
85.02890	0.5
86.09698	0.5
91.05494	0.4
95.01096	1.5
95.04951	0.3
96.01833	1.1
97.02893	2.3
98.03223	0.4
98.20799	0.5
98.97616	0.5
103.05489	0.3
104.05325	0.3
105.07060	0.4
109.02934	0.3
109.52733	0.2
111.00648	0.3
112.01347	0.9
112.08680	0.3
113.02134	2.9
115.08628	0.2
119.04922	0.3
126.02866	0.3
127.03918	4.6
131.04947	0.6
132.05698	0.2
137.05946	0.3
141.05249	0.3
144.00368	0.3
147.04369	0.6
157.04765	0.5
159.04253	0.6
163.03827	0.3
167.03151	0.5
167.07011	0.3
177.05557	0.3
185.04210	4.9
185.05717	0.6
189.05280	0.7
192.07816	0.6
201.03723	1.3
203.05286	1.0
204.07570	2.9
205.08414	0.2
223.14943	0.3
237.02742	0.5
287.05612	0.4
301.09406	0.3
319.10748	0.3
353.10156	0.3
365.12170	1.6
366.12958	0.3
381.11536	0.4
387.10001	0.3
401.15829	0.4
503.18057	0.4
545.18921	0.5
563.20959	100.0
564.21320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
54.16503	0.5
55.01870	0.7
55.05506	1.2
57.03426	0.7
61.38835	0.6
62.93482	0.5
67.01846	1.5
67.05508	2.8
68.99779	0.8
69.03425	4.1
69.07066	1.8
69.66975	0.8
69.67375	3.4
71.04981	1.2
79.05109	0.7
79.05492	6.3
81.03423	6.7
81.07052	3.7
83.04946	0.7
83.08624	0.5
85.02924	2.8
85.06519	0.6
87.00814	1.9
89.03902	5.8
91.05477	5.2
93.07034	18.6
95.04951	2.5
95.08595	5.3
97.02885	9.7
98.20747	1.1
99.04439	2.2
103.05443	0.7
105.01873	0.7
105.07010	2.6
107.04942	2.2
107.08588	16.7
109.02877	10.6
109.10149	2.5
111.04416	1.0
117.03375	7.1
117.07001	1.9
119.08565	2.6
121.10127	1.5
123.04408	7.1
127.03906	11.7
131.04897	1.1
131.08572	1.6
133.02863	0.7
133.10118	2.9
135.04402	16.9
135.11690	18.4
137.02316	2.3
137.05978	0.8
137.13261	0.9
145.02834	11.5
145.04979	0.5
145.06468	0.8
145.10106	1.2
147.04387	0.7
147.11641	0.9
149.05980	1.3
153.12703	0.6
157.06453	0.6
159.11673	3.8
161.05971	1.2
161.09569	0.6
161.13239	0.9
163.03896	100.0
167.08586	1.5
169.06482	1.1
171.08148	0.6
173.05983	1.4
173.13345	0.6
175.07521	2.8
181.04936	3.1
181.06372	1.1
183.07942	0.6
186.05432	0.7
187.07533	1.6
187.11201	0.7
191.96388	0.5
195.08052	1.6
199.07559	2.7
201.05550	0.5
201.09077	1.2
205.12102	1.0
213.04066	0.7
213.09056	4.5
226.09830	1.0
227.10646	1.4
231.05064	1.5
241.08600	0.9
243.13817	1.5
249.06248	0.6
257.22635	1.9
261.14902	1.1
269.15350	25.6
285.22098	1.1
297.14838	12.4
307.08081	1.4
315.15915	7.6
411.09219	10.9
527.18390	0.6
545.20123	7.7
563.21118	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01871	4.7
55.05510	19.3
56.08556	1.3
57.03434	12.2
61.02924	1.4
67.05504	25.7
68.53387	1.6
69.03433	9.3
69.07070	15.8
69.43914	14.5
71.04993	3.6
79.05496	26.9
81.03416	80.7
81.06590	1.9
81.07056	27.9
83.04982	13.1
83.08614	24.6
85.02905	14.1
91.05479	24.6
93.07044	16.4
93.96593	1.7
95.04962	25.2
95.08612	9.8
96.65931	1.7
97.02892	8.1
97.06534	6.3
97.10159	10.9
105.07031	23.3
107.04957	10.2
107.08597	9.9
109.06518	5.1
109.10158	6.6
109.28487	1.3
111.04424	2.0
111.08060	8.1
113.05987	1.8
117.07015	6.3
119.04965	2.1
119.08567	19.4
121.06501	5.8
121.10136	11.9
123.08040	3.0
125.09673	7.5
128.06229	1.9
129.07007	10.1
131.08600	10.9
133.06491	3.2
133.10112	10.6
135.08032	2.5
135.11734	1.9
137.09602	4.0
143.08582	1.9
145.06499	2.9
145.10120	4.8
147.08080	6.9
147.11667	13.2
149.09601	6.9
157.10114	13.2
161.09679	2.7
163.11086	2.8
165.12723	1.9
169.10150	1.5
173.13176	1.7
175.11174	14.5
189.11192	3.4
193.12241	37.8
195.11646	2.1
205.00613	1.4
211.13298	21.3
216.72206	1.5
223.13268	9.2
227.12627	2.8
229.14279	1.5
233.35019	1.8
249.14793	4.0
267.15912	100.0
273.14963	3.6
273.18484	5.7
285.16971	27.3
289.18958	1.5
291.16684	1.0
291.19534	39.7
365.23212	63.2
367.22775	9.7
385.23743	11.2
403.24637	2.2
433.20367	2.2
433.25882	10.2
441.26263	5.2
459.27386	58.3
459.33859	3.3
477.28415	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
55.05512	7.9
67.05507	82.2
67.77698	4.6
69.03422	26.8
69.07065	9.9
71.04989	5.9
71.59744	6.3
73.02883	5.5
79.05489	18.0
81.03423	21.4
81.07059	100.0
83.08687	4.8
85.02911	53.2
87.00824	17.8
91.05491	7.1
91.48213	4.6
93.07039	15.6
95.04990	5.8
95.08610	66.6
97.02905	16.5
99.04444	5.8
105.01865	22.8
105.06998	10.4
107.08614	12.9
109.02884	15.0
109.10148	44.2
119.08601	7.4
121.10117	11.3
123.11690	28.6
127.03909	35.4
129.01819	4.4
131.08524	8.0
133.10124	6.6
135.11714	5.0
137.13268	10.1
145.04861	8.0
145.10170	6.1
149.13286	7.3
159.02937	5.2
159.11658	6.3
173.13280	9.9
179.14375	5.8
195.13945	6.1
199.44867	4.6
209.42685	5.1
231.04936	6.1
243.21217	4.7
261.22159	7.8
279.23190	73.8
369.24176	9.8
405.25378	5.4
486.97211	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	562.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42918	0.6
69.03428	1.6
71.58343	0.9
76.84423	0.6
79.05481	0.7
85.02893	1.5
85.06557	1.4
87.04479	1.4
90.83665	0.6
93.07046	1.5
97.02882	0.9
103.05477	5.5
103.06102	1.0
107.04971	1.3
107.82773	0.7
115.03928	1.2
116.98518	0.7
120.08109	100.0
127.03897	1.3
131.04939	2.6
142.50652	0.6
147.04446	1.4
149.06021	1.8
166.08644	61.8
208.04970	0.7
219.01668	1.0
245.13663	0.7
268.78061	0.7
491.54971	0.8
562.19458	0.9
577.32880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83533	1.2
53.03948	2.6
55.01876	3.5
55.05512	16.1
57.03442	10.4
57.07082	2.8
62.24486	1.4
65.03939	2.4
67.05508	53.4
69.07072	13.0
69.92992	9.7
71.04975	2.9
73.02922	1.9
73.05231	1.5
79.05497	46.9
81.03397	2.0
81.06580	3.0
81.07059	59.0
83.04977	2.7
83.08630	10.1
86.39259	1.6
87.96809	1.4
87.97379	1.5
91.05479	21.9
93.07043	61.3
93.07632	3.0
95.04978	6.4
95.08611	62.5
97.02895	2.9
97.06535	5.2
97.10172	3.6
99.04466	2.3
101.78558	1.5
105.07034	15.4
107.04935	10.6
107.08588	39.5
109.10150	18.4
111.08107	2.1
117.07016	13.4
119.08579	17.1
121.06525	6.5
121.10146	24.2
123.08032	2.5
123.11729	4.4
125.05957	3.8
125.09641	1.7
131.08588	10.7
133.10141	11.8
135.08076	2.7
135.10677	3.3
135.11703	57.2
139.07573	2.4
143.08588	1.7
145.10121	32.7
147.11714	7.3
149.13281	5.3
157.10139	1.9
159.11722	4.6
160.03331	1.5
163.11182	63.1
163.14848	3.8
169.11423	1.5
173.13245	4.7
181.12227	10.8
187.14890	2.6
209.11674	2.8
223.37114	1.7
224.55862	1.5
227.12791	100.0
228.13080	2.4
243.21173	6.4
261.22134	20.5
279.23279	2.4
283.15414	55.5
290.72034	1.8
317.24677	9.6
335.25806	69.4
336.26147	2.0
469.33191	3.6
543.36810	41.8
561.37701	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01865	8.2
55.05510	32.5
57.03432	4.8
57.07061	2.8
63.06932	1.7
65.03929	2.4
67.05172	3.3
67.05508	51.4
69.03435	2.9
69.07069	13.9
70.51954	1.5
70.81615	4.8
70.81981	1.9
71.04989	2.9
79.05494	32.9
79.05954	2.0
81.03426	10.2
81.07056	47.2
82.39259	1.6
83.04996	9.7
83.08622	20.0
85.06523	2.4
91.05477	30.5
93.07045	34.8
95.04991	9.3
95.08606	33.1
97.06554	4.7
97.10165	21.7
105.07034	25.0
107.04951	4.6
107.08590	31.4
107.09290	2.2
109.06515	5.1
109.10167	20.7
111.04463	5.9
111.08063	4.2
115.05452	2.6
117.07013	16.3
119.08588	23.5
121.06484	3.4
121.10136	16.7
123.08092	4.2
123.11708	5.2
125.09636	20.9
128.06216	2.6
129.07001	6.9
131.08553	20.3
131.09389	2.1
133.06505	2.4
133.10121	17.6
135.08064	4.6
135.11690	18.4
136.49823	1.8
137.09633	2.5
137.13261	2.0
141.06955	1.9
143.08553	9.5
145.10149	18.8
147.08064	2.8
147.11699	13.7
149.09624	5.6
149.13277	7.0
153.09171	2.2
153.12688	4.3
155.08575	4.3
157.10149	7.4
159.11711	13.6
161.13293	9.4
163.11179	12.6
163.14839	1.9
169.10190	7.0
171.10341	2.0
171.11656	8.5
173.09637	2.9
173.11905	2.0
173.13252	9.1
173.25491	1.5
175.14848	3.5
181.10109	2.4
181.12285	6.4
183.11737	5.0
185.09648	2.0
185.13306	4.4
187.14868	3.7
189.11179	10.9
189.12686	2.1
191.10718	5.6
195.11598	1.8
197.13326	4.9
199.14879	4.4
201.12727	2.1
201.16472	1.9
205.16130	1.8
209.11752	5.4
211.13130	2.2
215.17767	1.8
227.12767	33.3
229.14267	2.3
230.66080	1.7
241.19475	2.1
243.21368	2.1
259.20697	2.3
261.22107	9.1
267.15796	2.0
273.22235	2.0
275.20251	1.7
277.21753	3.9
279.23169	2.3
283.15408	15.7
283.20493	2.3
299.23669	13.9
301.21732	5.1
315.23047	4.4
317.24823	7.0
333.24341	3.1
335.25784	8.8
389.26733	1.9
423.32590	2.3
433.31152	6.8
451.32162	11.5
469.33456	10.6
484.66028	1.6
487.34259	8.6
507.34738	2.5
515.37018	5.2
525.35828	17.9
533.38513	2.2
543.36810	100.0
544.37396	3.8
561.37921	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01863	5.9
55.05513	36.3
57.03431	6.3
57.07067	6.0
64.17706	2.2
64.96788	2.2
65.03957	2.6
67.05174	4.6
67.05505	65.2
67.92903	2.2
69.03419	4.0
69.07069	14.9
69.64292	10.4
69.64706	7.4
71.04989	5.3
79.05489	43.6
81.03413	10.5
81.07053	54.7
83.04971	12.3
83.08620	17.5
85.02921	2.9
85.06600	2.9
91.05482	34.3
93.07041	40.7
95.04988	11.5
95.08606	40.1
97.06525	6.9
97.10168	22.4
98.21478	4.9
103.05459	2.6
105.07040	30.1
107.04971	6.1
107.08598	34.9
108.14532	2.3
109.06503	3.0
109.10152	26.8
111.04443	6.6
111.08064	5.3
114.37677	2.2
117.07018	17.5
119.08588	26.5
119.20014	2.7
121.06546	4.0
121.10148	17.4
123.08062	3.7
123.11718	5.7
125.09624	18.4
128.06157	3.1
128.35788	2.4
129.06995	8.9
131.08582	26.1
133.10161	20.2
134.27808	2.5
135.08064	7.0
135.11684	21.4
141.06917	4.3
143.08577	9.1
145.10120	24.2
147.11682	14.8
149.09637	5.8
149.13264	6.9
153.12779	3.8
155.08611	2.9
157.10156	9.2
159.11671	16.9
161.13312	5.1
163.11185	10.2
169.10147	6.2
171.11682	9.5
173.09581	2.8
173.11957	2.7
173.13290	10.6
175.11169	3.6
175.14841	4.1
181.12268	4.9
183.11673	5.7
185.13235	6.4
187.11176	2.7
187.14864	4.9
189.11269	12.9
191.10678	6.3
193.12328	3.3
197.13304	3.2
199.14842	6.0
201.16429	3.2
205.15912	3.0
209.11670	5.9
209.13429	2.8
211.13252	4.6
223.14810	2.8
227.12767	22.1
245.13953	3.5
259.20657	4.9
261.22116	10.7
277.21487	3.1
283.15399	9.4
299.23624	15.2
301.21591	7.4
315.23044	6.3
317.24683	8.8
333.23892	2.8
335.25775	9.8
433.31177	4.9
451.32062	17.3
469.32874	11.9
487.33990	10.2
515.37317	4.3
525.35876	19.9
543.36816	100.0
561.37964	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.9
55.01863	8.8
55.05508	36.4
57.03418	5.7
60.18140	5.8
67.05505	65.7
69.07063	20.9
71.19797	8.7
79.05487	38.5
81.03413	10.6
81.07056	69.7
83.04958	13.4
83.08619	27.5
91.05462	35.3
93.07048	48.6
95.04953	12.4
95.08607	32.4
97.02917	5.6
97.06500	8.4
97.10149	21.6
105.07069	26.8
107.05002	5.6
107.08608	27.3
109.10155	24.3
111.08076	7.2
117.06987	17.9
119.08569	33.4
121.10124	23.0
123.08035	6.1
123.11679	11.6
125.09634	15.2
129.07014	10.1
131.08600	32.1
133.10100	24.9
133.10980	5.9
135.11646	11.7
136.08919	5.5
143.08580	8.1
145.10146	25.2
147.11694	16.0
149.09653	7.0
149.13213	11.1
153.12759	6.5
157.10118	9.4
159.11684	12.5
161.13274	9.0
163.11229	8.8
167.08478	6.4
171.11786	6.8
173.13263	8.0
189.11253	8.0
195.13878	6.6
227.12808	23.2
261.22290	10.4
283.15402	18.8
293.21255	11.4
299.23608	14.9
301.21710	9.4
393.48853	5.8
433.31076	13.6
451.31494	6.6
469.32764	8.7
487.34189	12.5
489.56305	6.0
515.36108	7.1
525.35681	26.2
543.36786	100.0
561.38269	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.2
55.05511	36.6
57.03432	15.5
65.03947	4.8
67.05504	80.6
69.07071	30.1
69.68693	34.4
71.04989	5.1
71.08624	12.0
76.34791	4.5
79.05489	66.5
80.11061	4.5
81.03416	17.4
81.07054	88.9
83.04981	12.0
83.08602	23.8
85.02885	5.2
91.05482	54.2
93.07048	81.6
95.04977	20.7
95.08605	73.2
97.06561	7.4
97.10175	21.8
99.08148	5.2
105.07036	27.8
107.04977	8.5
107.08591	48.8
109.06513	7.3
109.10165	29.7
117.07021	15.3
117.15701	4.2
119.08570	26.8
119.88405	4.1
121.06506	6.9
121.10150	33.9
123.11726	7.9
125.09654	11.6
129.07005	12.4
130.70308	4.2
131.08563	16.4
133.10170	22.5
135.08057	6.0
135.11685	45.7
137.09671	4.8
145.10107	25.5
147.11678	14.4
149.13255	12.3
153.12749	4.7
157.10104	5.7
159.11697	13.2
161.13281	10.3
163.11198	43.6
163.14900	4.8
173.13223	11.6
179.14323	11.3
181.12236	5.5
187.14865	7.3
211.13242	5.3
227.12766	66.5
261.22189	19.3
267.15976	10.5
271.85916	4.7
277.21686	14.3
283.15356	24.3
293.21021	5.0
299.23453	5.6
317.24838	11.6
335.25775	63.3
339.81790	4.8
407.62695	5.0
419.33099	5.0
469.32904	6.2
525.35260	11.0
543.36798	100.0
561.38440	82.3
584.67578	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	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01873	6.2
55.05512	30.9
57.03426	6.1
57.07051	2.1
58.70747	2.3
62.73370	2.3
67.05503	55.1
69.03416	3.0
69.07065	17.6
71.04993	3.9
71.60028	3.8
74.71216	1.8
79.05489	34.9
81.03408	7.8
81.07054	52.4
83.04983	11.4
83.08625	15.8
85.06518	3.5
91.05482	29.1
93.07042	35.8
95.04952	6.2
95.08600	33.3
96.26424	2.0
97.06538	8.1
97.10171	22.8
104.90673	2.1
105.07026	28.2
107.08597	31.1
109.04890	2.0
109.06517	5.7
109.10167	17.8
111.04463	6.3
111.08062	3.9
117.07014	15.4
119.08572	28.0
119.09375	3.5
121.06525	3.9
121.10144	17.1
123.08040	2.5
123.11739	5.1
125.09626	19.1
129.07016	8.3
131.08571	22.7
131.13954	1.9
133.10106	20.5
135.08038	4.6
135.11661	16.8
137.09654	2.3
137.13156	2.5
141.07002	3.3
143.08585	6.8
145.06517	2.2
145.10167	20.6
147.08052	3.1
147.11667	13.6
149.09633	3.5
149.13298	7.6
153.09062	2.4
153.12743	7.2
155.08539	7.5
157.10188	11.1
159.11699	14.8
159.62546	2.0
161.09593	1.9
161.13246	9.0
163.11200	9.0
163.14911	2.2
168.42345	2.1
169.10147	6.2
171.11755	7.7
173.09674	3.3
173.13293	10.8
175.11223	2.2
175.14842	3.9
177.12776	3.4
181.10075	2.6
181.12209	4.7
181.46960	2.5
183.11732	4.6
185.13228	6.4
187.14844	3.0
189.11235	12.9
191.10651	2.2
193.12204	2.7
195.11696	2.6
197.13284	4.0
201.12715	2.4
201.16425	2.7
209.11584	2.8
209.13347	2.6
213.16374	2.5
223.14893	2.4
227.12775	27.0
241.19556	2.4
243.21048	3.5
259.20370	4.2
261.22171	10.6
267.15848	2.9
273.22055	2.9
277.21625	4.2
279.23312	2.8
283.15439	11.5
299.21021	1.9
299.23740	14.9
301.21640	4.5
302.99402	2.1
312.00681	2.3
317.24707	6.9
333.24359	4.5
335.25922	10.4
355.26413	2.3
377.03571	2.4
433.30984	7.5
441.33533	3.1
451.32355	10.9
469.33298	10.9
487.33984	6.7
525.35858	23.6
543.36792	100.0
545.56787	2.1
561.38043	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19834	1.4
51.23623	1.5
53.03941	7.8
55.01873	15.6
55.05508	16.3
55.83937	1.6
57.03434	17.1
57.07065	2.8
58.11580	1.3
59.41571	1.4
61.02927	8.3
65.03941	3.7
67.05503	70.2
69.03430	40.4
69.07060	17.5
70.32832	5.7
71.01352	1.8
71.04991	7.9
73.02914	39.5
74.08746	1.5
79.05489	42.1
81.03421	30.5
81.07056	76.1
83.04986	11.7
83.08600	8.0
85.02901	31.0
85.06549	3.2
90.27841	1.3
91.05483	26.7
92.26006	1.5
93.03405	2.3
93.07041	56.6
93.07629	3.5
95.04961	5.8
95.08607	60.0
96.37517	1.5
97.02883	16.8
97.06535	5.5
97.10171	5.1
98.98488	3.7
99.04456	20.7
105.07023	22.9
107.08594	29.1
109.02873	55.1
109.06534	4.1
109.10155	36.4
110.03677	8.1
110.59188	1.5
111.04440	51.4
111.08070	2.4
115.03979	1.4
117.07020	7.7
118.70765	1.3
119.08574	20.2
119.09347	2.1
121.10143	28.5
123.08089	2.3
123.11713	16.7
125.09676	1.9
127.03924	28.1
129.07010	1.8
131.08574	17.0
132.99557	18.8
133.10127	13.8
135.01117	1.6
135.08066	2.1
135.11684	21.4
135.18533	1.5
137.13225	7.9
139.11137	2.4
143.08572	2.3
145.10098	12.3
147.11682	11.9
149.13264	14.4
151.00630	8.7
151.11198	1.6
151.14822	2.9
154.99966	2.3
155.01100	3.1
157.10141	2.6
159.11705	10.2
161.13274	11.9
163.11134	1.8
163.14825	7.2
165.12807	2.5
167.00043	1.6
169.01802	1.4
172.99060	5.2
173.13263	10.7
173.46773	1.5
175.14885	2.7
177.12755	2.8
177.16379	3.2
179.14316	2.4
185.13347	2.7
187.14815	7.9
191.00055	23.6
191.14087	1.9
201.16348	2.6
209.01184	9.4
210.57947	1.6
215.17867	1.7
219.17471	1.9
239.60818	1.5
243.21054	11.6
257.19009	1.5
259.20569	2.3
261.22128	37.2
275.20300	2.2
277.21695	1.9
293.21002	1.5
308.61874	1.5
317.24973	3.1
335.25769	37.8
336.26138	2.1
337.27310	4.4
377.27045	2.7
408.16382	1.6
543.36688	5.1
561.27313	100.0
561.36877	8.5
562.27484	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	561.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.8
54.05263	1.5
55.01870	20.5
55.05268	1.6
55.05512	23.6
57.03439	19.8
57.07055	2.0
61.02626	1.6
61.02921	6.8
63.14577	1.5
64.45889	1.4
65.03933	4.5
67.05505	85.6
69.03432	50.4
69.03802	1.9
69.07064	16.9
69.47406	14.5
70.04198	1.7
71.01342	1.6
71.05000	7.4
73.02920	52.9
75.04470	2.1
76.38326	1.5
79.05492	49.2
81.03416	39.3
81.07056	96.6
81.74210	1.7
83.04989	12.3
83.08631	8.6
85.02901	37.2
85.06530	3.5
91.05485	30.8
93.03385	2.0
93.07046	59.2
95.04985	8.5
95.08606	77.5
97.02900	17.9
97.06527	6.0
97.10169	3.1
98.98472	6.4
99.04459	26.0
99.08084	3.2
103.03925	2.0
104.14277	1.6
105.07032	22.3
107.08592	32.5
109.02880	69.2
109.06503	4.1
109.10161	38.4
110.03677	9.5
111.04446	56.6
111.08060	3.3
111.11720	2.0
117.07031	6.8
119.08582	19.1
121.10146	34.0
123.08077	1.8
123.11703	18.6
124.99042	1.8
125.09596	2.4
127.03917	42.3
131.08571	17.6
132.99561	27.6
133.10138	16.9
135.11690	25.5
137.09637	2.6
137.13252	9.8
139.11189	3.1
143.08546	2.4
145.10126	12.2
147.11671	13.5
148.99002	1.5
149.13231	14.0
149.22881	1.5
151.00575	11.4
151.14825	2.6
153.12729	1.8
155.01054	5.2
157.10114	2.3
159.11711	12.5
161.13228	13.3
163.14787	8.1
165.12729	1.7
171.11740	1.7
172.99033	5.5
173.13251	10.0
175.14803	3.2
177.12773	2.1
177.16396	2.9
185.13353	1.7
187.14883	7.2
191.00076	32.0
201.16324	2.6
209.01143	10.8
219.17487	1.9
227.02274	1.8
243.21111	13.6
259.20627	2.4
261.22134	40.5
261.24817	2.3
263.23642	1.7
265.03885	2.4
279.23148	3.7
317.24838	2.6
333.24411	1.7
335.25818	40.1
337.27335	7.4
369.24301	2.5
525.25275	2.0
543.35919	1.8
552.76196	1.8
561.27264	100.0
561.36414	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	561.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03715	1.4
53.03941	10.2
55.01872	16.7
55.05513	20.6
57.03434	18.8
57.07069	2.3
61.02927	6.6
63.58731	1.3
65.03944	4.3
67.05500	78.9
69.03428	44.3
69.07063	16.7
70.17329	3.2
70.17727	2.5
71.04661	1.6
71.04990	9.5
73.02915	45.5
75.04466	3.5
79.05490	45.1
79.05954	1.4
81.03413	34.6
81.03855	2.7
81.07055	88.7
82.49346	1.4
83.04979	11.7
83.08613	10.6
85.02904	37.5
85.03419	1.8
85.06545	3.2
86.39516	1.5
91.05479	30.2
93.03406	2.1
93.07041	54.7
95.04980	7.3
95.08604	72.0
97.02888	14.1
97.06531	5.1
97.10163	6.1
98.98470	7.7
99.04452	22.5
99.08089	1.9
105.07030	26.2
107.08593	29.0
107.88039	1.4
107.89948	1.3
109.02880	66.1
109.06505	2.9
109.10156	37.3
110.03664	9.7
111.04442	54.9
111.08095	3.3
111.11710	1.4
115.03963	1.7
117.06996	7.3
119.08580	17.7
121.10135	28.1
123.08057	3.0
123.11701	19.0
125.09656	3.0
127.03915	33.9
129.07065	1.7
131.08577	16.7
132.99556	23.5
133.10118	16.5
134.17331	1.3
135.01096	1.7
135.08040	2.3
135.11687	21.1
137.09534	1.7
137.13249	5.1
139.11287	1.8
140.04367	1.4
143.08614	2.3
145.04893	1.9
145.10109	12.9
146.72484	1.5
147.11661	13.0
149.09650	2.0
149.13243	13.9
151.00613	5.9
151.11212	2.6
151.14832	2.7
155.01059	6.2
157.10181	1.4
157.72969	1.4
159.11668	9.4
161.13226	9.5
163.11163	1.5
163.14838	5.2
164.98505	1.3
165.12799	1.7
169.01715	1.9
172.99077	5.2
173.13309	9.0
175.14793	3.2
177.12781	3.0
177.16336	2.7
179.14403	2.9
187.14742	6.7
189.16425	1.9
191.00078	32.4
196.59781	1.3
201.16385	2.7
209.01141	11.2
209.15410	1.3
233.22575	2.4
241.55489	1.4
243.21054	10.5
245.22549	1.6
261.22137	37.3
263.23767	2.4
265.03818	2.9
277.21631	1.9
279.23035	3.0
317.24725	4.2
335.25793	35.5
337.27417	10.2
359.17035	2.8
359.67496	4.4
407.34518	1.8
543.36469	2.2
561.27258	100.0
561.36401	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01870	1.0
55.05500	1.2
57.03434	0.4
57.44954	0.2
59.05003	0.6
64.12811	0.3
65.03925	0.3
67.05504	1.9
69.03423	3.8
69.07068	0.8
71.04993	0.3
71.59584	0.4
71.61743	0.2
77.03939	0.3
78.27906	0.2
79.05498	2.7
81.03415	3.2
81.07057	5.0
83.04959	1.2
83.08617	0.5
85.02901	0.8
85.06540	0.3
87.00842	0.5
91.05477	4.1
93.07045	4.6
95.04958	1.4
95.08598	3.0
97.02888	24.7
97.06538	0.8
99.04449	0.5
105.07027	7.1
107.04942	0.9
107.08594	9.0
109.02883	4.7
109.06511	3.0
109.10153	2.4
110.03661	0.7
111.04429	0.9
111.08070	2.6
113.05993	0.9
117.07011	0.8
119.08577	18.9
121.06496	1.2
121.10139	4.8
123.04534	0.5
123.08069	5.0
123.11710	1.6
124.08868	0.4
125.09624	100.0
126.09922	0.5
127.03907	7.0
127.04800	0.5
128.06232	0.5
129.06998	0.7
131.08589	0.5
133.06458	0.9
133.10124	13.8
135.04442	0.5
135.08018	1.0
135.11725	1.3
137.05968	0.9
137.09589	1.9
143.08557	1.8
145.02867	0.3
145.06459	0.6
145.10136	1.4
146.07231	0.5
147.08035	8.7
147.11784	0.2
148.08810	0.5
149.05946	0.3
149.09508	0.4
151.03912	0.4
151.07613	0.6
151.11171	1.9
157.10049	0.5
159.08037	0.3
161.09610	9.0
163.03867	2.2
163.07523	0.5
163.11198	1.2
165.09108	11.9
167.06982	0.5
171.08014	0.5
171.11765	0.3
173.09598	0.5
175.11058	0.2
177.09198	0.3
179.10669	8.4
181.12242	0.3
185.09639	0.4
189.09109	7.9
203.10730	0.6
207.10150	13.5
211.14851	0.3
213.03934	4.0
225.11201	32.8
226.11424	0.3
228.08557	0.3
229.15784	0.4
242.13736	0.3
243.12338	0.4
247.16737	0.4
253.15932	0.5
267.17355	0.5
271.16864	1.1
285.18448	0.8
289.17917	1.8
295.16705	0.8
303.19479	0.9
313.17990	2.1
314.01483	0.2
328.44904	0.3
331.19016	11.1
349.20074	23.0
367.21252	2.0
399.23547	0.2
561.21027	0.3
561.30334	0.3
588.02313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
57.03403	1.6
57.07026	0.5
60.08128	0.3
61.02892	1.2
67.05518	1.8
67.05782	0.4
69.03429	4.7
69.93387	0.4
70.01234	2.2
70.06546	0.5
73.02894	1.4
81.03394	1.2
81.07030	0.4
85.02908	6.9
86.09696	0.7
87.04453	1.0
91.05466	0.5
96.21140	0.4
97.02910	3.7
98.20801	0.6
99.04443	0.7
100.13605	0.4
105.06985	0.4
105.63147	0.4
107.72333	0.3
108.04376	0.4
109.02869	0.9
119.04971	0.6
127.03870	1.6
134.04626	5.3
135.03021	0.5
145.04997	0.7
147.04382	0.8
152.05629	1.2
152.64659	0.4
165.02321	5.0
167.02565	0.6
175.09729	0.9
177.05623	0.4
181.05397	1.1
182.04968	100.0
183.05273	0.4
183.06744	0.5
185.08279	0.5
194.04965	3.4
200.09297	1.4
201.10030	0.7
205.05446	3.3
216.04669	2.3
219.06990	0.9
221.08592	0.6
224.06087	0.9
231.07001	10.7
232.07158	0.5
233.07193	0.5
236.14697	0.4
248.07666	0.3
248.09666	25.3
266.10715	54.2
267.11124	0.5
314.09088	1.0
380.13849	1.0
398.14972	8.7
428.16016	46.7
429.16403	0.6
560.20282	39.8
560.33942	1.0
561.19495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1947
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
56.96557	0.7
61.81706	0.3
69.03443	0.7
69.84161	2.4
70.06569	0.4
71.47467	0.3
72.08152	0.4
72.83411	0.3
83.01109	1.1
83.04993	1.4
85.02900	0.8
86.09697	0.6
95.01065	2.4
96.01866	1.3
97.02885	1.8
97.06506	0.3
98.26700	0.3
98.97607	0.4
103.05456	0.5
111.04359	0.4
112.01365	0.6
113.02114	3.7
117.03432	0.4
127.03922	3.5
130.15979	0.3
131.04973	2.0
132.19571	0.3
132.58505	0.3
134.99739	0.4
141.05278	0.6
144.00247	0.4
145.02872	1.6
147.04408	0.7
149.05927	0.5
152.63036	0.4
153.50911	0.3
157.04771	1.0
163.07651	0.4
167.03168	0.5
177.00600	0.5
177.05510	3.3
185.04251	6.0
185.05783	1.0
189.05122	0.4
192.60561	0.3
201.03738	1.3
202.05981	4.3
203.05162	1.7
287.05780	0.5
365.12082	2.3
367.08652	1.8
367.58722	0.5
376.59396	0.5
381.11945	0.4
387.60242	0.6
399.14191	0.7
487.29019	0.4
497.03790	0.4
561.19489	100.0
562.19897	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
55.01869	4.0
55.05263	1.9
55.05510	21.6
57.03444	4.0
57.07076	3.9
64.05592	1.4
65.03922	2.0
67.05502	35.6
69.03412	2.9
69.07067	21.5
71.04999	2.6
71.08603	1.9
71.57652	2.6
71.89954	1.4
74.37608	1.5
79.05495	28.3
81.03407	10.7
81.06576	3.4
81.07053	52.8
83.04971	6.1
83.08613	12.0
85.06545	1.8
88.61311	1.4
91.05476	26.8
93.07045	35.1
95.04972	11.6
95.08605	64.6
97.06541	7.5
97.10159	8.5
99.08071	3.7
103.05500	2.2
105.07027	35.7
106.07375	2.0
107.04950	6.0
107.08595	41.4
109.04813	1.6
109.06521	4.6
109.10156	59.3
111.08096	2.7
117.07018	7.9
118.07232	1.5
119.08578	50.9
120.46587	1.6
121.06506	3.2
121.10145	38.9
121.11005	2.0
123.08080	3.8
123.11721	18.7
125.09608	4.8
129.07037	6.6
131.08588	17.1
133.10132	41.0
135.08044	2.7
135.11688	30.2
137.09624	6.8
137.13272	9.2
141.06956	2.1
142.07896	2.4
143.08565	6.7
144.09372	1.7
145.06480	1.9
145.10107	23.6
147.11671	28.8
149.09641	4.2
149.13266	16.0
151.11240	3.0
155.08563	3.4
156.09354	3.9
157.10150	11.7
159.08035	1.9
159.11702	27.2
160.12492	2.2
161.13280	17.2
163.03886	2.1
163.11209	5.5
163.14819	11.4
169.10106	3.0
171.11681	19.3
172.12422	2.3
173.13264	18.4
175.11305	2.2
175.14839	12.5
177.12845	3.1
177.16339	8.1
179.14319	2.2
183.11630	3.8
185.13284	9.6
187.14853	15.5
189.16386	23.3
191.17953	18.0
193.12289	4.1
195.11848	2.0
197.13278	3.9
198.95074	1.7
199.14883	6.5
201.16367	11.2
203.14323	1.9
203.17923	15.2
205.19614	1.7
211.14886	2.6
213.16393	5.6
215.17970	7.7
217.19547	5.0
219.17543	2.6
227.12842	6.0
227.18001	5.0
229.19597	3.8
231.21143	4.8
233.19020	2.7
241.19539	4.6
243.21069	9.6
245.22729	4.7
255.21140	2.0
257.22617	4.9
259.20636	3.5
267.15961	7.5
267.21054	2.3
269.22678	3.6
271.24185	5.6
275.20041	15.2
281.22641	4.9
283.15417	3.2
283.24268	5.6
293.21115	1.9
297.25885	3.1
313.99924	1.7
333.24362	2.8
349.23703	6.4
367.21701	2.9
369.31274	2.7
461.28738	2.3
467.32132	2.6
541.35248	18.0
541.47406	10.0
559.36688	18.0
559.48718	100.0
560.48395	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	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.2
53.03953	10.5
53.52147	1.9
55.01858	3.1
55.05513	30.2
57.03438	14.0
57.07077	3.3
62.25705	2.0
63.02480	1.9
65.03953	4.6
67.05506	96.6
69.07072	17.1
70.00964	10.3
71.05013	2.6
77.03942	2.5
79.05493	90.0
81.03418	10.5
81.07058	82.9
83.04993	14.2
83.08595	11.6
85.06544	3.8
89.94903	2.1
91.05480	78.6
93.07042	100.0
95.04968	22.9
95.08607	59.5
97.06530	6.9
97.10172	4.5
102.09139	2.3
105.04527	3.8
105.07031	59.8
107.04961	7.3
107.08591	33.3
109.06514	6.6
109.10139	17.6
111.08067	2.7
115.05428	2.7
117.07039	11.8
118.06507	2.3
119.08585	32.5
121.10151	17.6
123.08074	5.6
123.11704	3.5
129.07005	19.9
131.08572	16.8
133.10164	19.7
135.11674	10.8
143.08566	10.7
143.25990	2.1
145.10107	20.0
147.07990	2.9
147.11696	38.8
149.13255	5.2
157.10121	4.4
159.11676	8.3
161.09579	5.5
161.13271	10.3
171.11708	26.9
173.13257	5.7
183.11700	4.1
185.13345	3.3
187.14854	2.4
189.12737	8.8
206.60507	2.1
207.13803	23.4
225.14886	2.8
243.20984	3.0
256.26370	4.9
257.27106	3.0
261.22162	5.4
279.15872	2.9
281.17465	48.9
335.25769	48.3
485.36166	2.4
523.38037	2.5
541.38885	69.3
542.39563	3.8
559.39960	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.3
55.05512	29.2
57.03436	21.1
65.03926	6.9
67.05508	100.0
69.07077	21.0
70.86052	11.9
70.86381	4.4
79.05497	96.1
81.03421	5.2
81.07060	85.1
83.04989	18.5
83.08614	11.4
85.06579	5.0
91.05486	89.8
93.07051	94.5
95.04973	30.5
95.08606	60.0
97.06570	5.8
97.10173	7.9
102.09177	9.0
105.07044	56.1
107.04972	6.3
107.08598	47.1
107.56789	4.6
109.06518	9.3
109.10160	19.4
117.07024	18.0
119.08591	37.2
121.06531	4.7
121.10115	23.2
123.08044	5.8
127.71873	4.9
128.06290	5.5
129.07024	19.2
131.08543	13.4
133.10149	12.1
135.11674	12.6
137.42198	4.3
143.08559	13.9
145.10139	17.0
147.11687	35.0
149.13245	8.6
161.09616	7.3
161.13287	15.8
171.11671	33.2
173.13258	8.9
189.12709	7.9
207.13715	22.1
253.14900	4.6
256.26364	12.8
257.26785	11.8
258.14941	4.6
261.22144	15.9
281.17493	93.9
335.26062	29.8
425.56985	4.7
541.39069	73.9
559.37457	7.0
559.43646	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	559.3995
Annotation	CHEBI:66782
Peak:m/z	Relative Intensity
50.15210	3.7
50.94918	3.5
53.03945	5.1
54.57718	3.8
55.05511	26.5
56.95912	3.7
60.26857	3.5
67.05502	47.7
69.07050	19.6
71.08617	3.6
71.58969	4.2
79.05481	35.0
81.03412	4.6
81.07062	47.1
83.04988	6.0
83.08602	14.1
85.06531	4.1
91.05483	33.3
93.07031	36.5
95.04971	8.3
95.08595	32.2
97.06532	5.1
97.10149	7.0
101.24435	4.0
105.07032	30.9
107.04939	4.4
107.08584	21.6
109.10160	15.2
111.08083	4.4
117.07027	12.4
118.98177	3.7
119.08595	22.2
121.10144	14.9
123.11747	4.8
125.09603	5.0
129.07021	14.7
131.08575	36.1
133.10114	13.4
135.11717	9.9
141.07014	5.6
143.08543	25.3
145.10124	24.4
147.11679	6.3
149.13316	5.3
155.08562	15.2
157.10123	25.5
159.11705	14.8
161.13242	6.1
169.10141	17.5
171.11710	14.3
173.13239	7.2
181.10080	8.6
183.11687	5.9
185.13208	8.9
187.14771	8.4
195.11708	8.9
197.13226	9.8
207.13840	4.2
209.13278	5.0
211.14758	5.0
213.16377	6.1
225.16370	5.6
237.16383	7.5
239.18030	5.3
261.22226	5.5
279.16107	4.5
291.19626	5.8
335.26035	6.5
415.47354	4.4
431.32953	8.1
437.34454	6.5
449.34180	21.3
467.35306	8.1
485.36313	8.6
511.37903	4.9
523.37738	17.4
529.38751	24.1
541.38892	100.0
552.53345	3.9
559.23438	10.8
559.40039	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.5
55.01868	4.2
55.05507	33.8
57.03419	14.1
57.03667	2.6
57.07044	3.4
65.03928	5.8
66.34170	3.0
67.05502	90.0
69.07069	15.0
71.04985	7.3
71.08620	7.6
71.58809	5.1
73.96943	3.0
79.05492	100.0
79.82518	2.8
80.77780	2.7
81.03408	7.2
81.07057	80.9
83.04993	15.1
83.08637	15.2
85.06547	5.6
91.05478	82.8
93.07043	96.7
95.04968	27.7
95.08605	53.3
97.06520	8.0
97.10137	6.0
105.06377	5.5
105.07025	58.1
107.04954	11.0
107.08609	33.6
109.06517	9.7
109.10166	22.6
117.07019	15.8
119.08585	36.1
121.10139	26.1
123.08065	5.7
123.11685	6.0
125.09584	3.3
128.06224	3.1
129.07001	18.0
130.07773	3.5
131.08539	15.6
133.10118	19.7
135.11693	17.3
143.08617	8.0
145.10139	21.7
147.11688	45.7
149.13271	9.6
151.11157	3.5
159.11717	6.9
161.09534	3.8
161.13275	17.7
163.11214	6.5
171.11716	27.0
173.13260	6.9
179.14255	17.5
185.13257	4.3
189.12692	11.2
207.13745	27.4
225.14734	3.5
255.77864	3.1
261.22107	8.7
277.21552	15.1
279.15897	5.9
281.17499	55.0
335.25800	55.4
538.68774	3.6
541.39014	69.8
559.36890	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.4
53.03931	3.2
55.01857	4.9
55.05272	1.8
55.05513	26.7
57.03423	3.8
58.45589	1.1
65.03930	3.5
67.05505	37.3
68.01520	1.0
69.03436	2.6
69.07062	11.2
69.72504	4.3
69.72923	2.8
70.87399	1.1
71.04984	1.9
77.77978	1.0
79.05492	30.8
81.03404	3.9
81.07053	38.2
83.04966	3.9
83.08615	10.8
85.06535	2.1
91.05481	26.6
93.07043	35.5
95.04974	5.7
95.08603	23.4
97.02898	1.8
97.06520	3.4
97.10167	14.9
99.00812	2.3
99.08117	1.5
105.07025	23.1
107.04960	4.8
107.08589	21.8
109.02898	6.3
109.06513	2.8
109.10147	14.4
111.04456	2.3
111.08069	4.2
115.05434	1.4
117.07026	12.0
119.08587	19.0
121.06492	4.2
121.10170	13.0
123.04446	1.0
123.08094	2.1
123.11717	3.9
125.09624	8.9
129.07013	4.8
131.08553	16.8
133.06480	1.6
133.10126	22.1
133.28737	1.2
135.08057	3.2
135.11690	9.7
137.06030	1.5
141.06966	3.1
143.08545	8.9
145.06479	1.9
145.10127	13.4
147.08028	1.8
147.11696	9.7
149.09618	2.0
149.13289	4.8
151.11201	3.4
153.06865	1.3
153.09167	1.5
155.08598	2.7
157.10135	6.9
159.08054	1.4
159.11719	9.9
161.09627	6.7
161.13316	6.1
163.11194	2.9
169.10138	5.1
171.08080	2.4
171.11652	6.4
173.13286	5.8
175.11174	2.1
175.14850	2.0
179.10667	4.9
181.10011	1.6
181.12172	1.4
183.11731	5.2
185.09683	1.2
185.13283	5.9
187.14749	1.4
189.09271	2.2
189.11232	6.7
193.10109	1.5
195.11801	1.7
197.11716	2.2
197.13351	2.6
199.14899	2.3
201.16492	2.0
209.13379	1.5
211.14865	2.9
213.16418	2.0
215.18210	1.3
225.11172	5.5
225.16380	1.4
227.12688	6.2
241.19606	1.3
243.21120	1.5
259.20590	2.6
261.22171	8.3
264.75482	1.3
271.20502	1.5
277.21719	3.9
281.13879	7.1
285.22168	1.8
287.23743	5.3
297.22128	3.4
299.20035	2.1
313.21582	2.6
315.23294	13.5
317.24960	1.7
331.22842	1.2
341.21069	1.3
351.23068	1.4
403.29745	1.8
421.31155	6.1
431.29529	1.7
439.31995	4.9
449.30634	9.5
457.33115	3.9
465.91650	1.2
467.31589	19.5
475.34149	1.7
485.32492	15.0
485.38730	1.4
495.34964	1.9
513.35779	18.3
515.37482	2.8
516.51447	1.4
523.33875	3.5
531.36816	18.6
541.35254	60.7
559.36298	100.0
560.36749	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.1
53.00299	1.6
53.03938	4.2
55.01881	5.2
55.05511	24.6
57.03429	3.2
57.07074	1.9
59.03796	1.0
59.04988	2.0
60.40771	0.9
63.40046	0.9
65.03931	2.7
66.63767	1.0
67.03017	1.0
67.05508	46.7
69.03405	3.2
69.07072	11.1
69.48183	8.4
71.04985	2.7
74.38770	1.0
75.57152	1.0
77.03953	0.9
79.05496	38.0
81.03405	3.8
81.07058	44.9
83.04991	4.9
83.08618	12.5
85.06558	2.2
91.05486	34.2
93.07042	42.2
93.07634	2.2
93.78249	1.2
95.04972	7.0
95.08607	25.1
97.02891	1.1
97.06532	2.5
97.10166	13.5
99.00822	6.2
99.98147	1.2
103.05515	1.5
105.07031	32.3
107.04964	4.5
107.08600	22.0
107.69600	1.0
107.86650	1.0
109.02860	6.6
109.06514	3.1
109.10156	15.5
111.04461	1.8
111.08058	3.9
112.93600	0.9
113.84608	0.9
115.05487	2.0
117.07021	12.5
119.08572	19.5
121.06499	4.1
121.10156	15.9
123.08093	2.6
123.11719	5.5
125.09640	10.3
128.06224	2.9
129.07021	6.0
131.08568	18.3
133.06485	2.9
133.10127	26.1
133.11084	1.9
135.08092	3.4
135.11691	14.3
141.06995	1.9
142.07756	1.3
143.08574	9.1
145.10117	11.7
147.08044	2.6
147.11673	10.2
149.09648	3.7
149.13254	4.9
151.11203	4.7
153.06958	1.1
153.09119	2.2
155.08565	4.0
156.04478	1.1
157.10135	6.0
159.08098	1.9
159.11707	8.8
161.09624	8.3
161.13248	5.2
163.11282	2.2
163.14743	1.3
167.08630	1.2
169.10158	2.9
171.08035	2.6
171.11685	7.2
173.09673	1.7
173.13231	6.5
173.78333	1.1
175.14815	2.2
177.16380	1.1
179.10677	4.7
181.10141	1.9
181.12274	1.4
182.11154	1.0
183.11668	4.8
185.13266	5.2
187.11205	2.5
187.14833	3.7
189.09160	4.1
189.11226	4.1
189.12686	1.4
191.14253	1.2
195.11761	2.4
197.13266	3.0
199.11197	1.7
199.14851	2.1
201.16330	1.2
207.10117	1.5
209.13312	1.7
211.11124	1.7
211.14824	1.6
213.12741	1.4
213.16383	1.2
215.18092	1.1
216.64091	1.0
223.14940	2.1
225.11143	6.8
227.12712	6.4
241.19659	1.0
243.12286	1.3
243.21075	1.8
259.20642	2.7
261.22159	8.8
271.20740	1.3
273.22037	1.5
277.21710	2.2
281.13947	6.8
281.19067	1.0
285.22089	1.4
287.23734	4.5
289.21603	2.7
297.22079	2.3
299.14810	1.1
299.20004	2.4
313.21640	2.1
315.23175	10.5
317.21384	1.4
327.23438	1.1
333.24246	1.6
341.21191	1.1
348.04892	1.0
403.29953	1.8
421.30884	4.9
431.29553	2.2
439.31927	2.6
444.17465	1.1
449.30530	7.2
457.32864	2.6
467.31485	13.2
475.34525	1.1
485.32507	11.2
495.34604	1.6
513.35736	12.5
515.37274	2.0
523.34357	4.7
531.36938	13.8
541.35254	49.8
542.35822	2.5
559.36285	100.0
560.36554	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.2
53.03942	3.5
54.71333	1.3
55.01872	5.5
55.05266	1.6
55.05513	21.2
56.96562	2.6
57.03434	2.9
57.07103	1.3
63.53028	1.2
63.60715	1.3
65.03924	2.7
67.05510	42.9
67.05872	2.1
69.03432	4.1
69.07074	12.8
69.57075	1.3
69.99086	5.3
69.99512	2.5
70.76105	1.4
71.01387	1.5
71.05003	2.5
79.05497	34.7
81.03419	3.8
81.07063	43.8
83.04984	7.1
83.08620	13.1
85.06544	2.7
91.05486	40.9
93.07050	39.7
94.84513	1.3
95.04976	9.6
95.08613	26.1
97.02891	1.4
97.06551	4.2
97.10181	13.2
98.49912	1.4
99.00818	2.3
99.04498	1.5
99.08111	1.8
104.26664	1.3
105.06376	2.8
105.07039	31.2
106.06654	1.4
107.04967	3.5
107.08600	26.8
109.02923	4.0
109.06529	3.6
109.10155	14.9
111.04446	1.7
111.08103	3.1
115.05492	3.5
117.07006	12.8
119.08593	23.9
121.06509	4.2
121.10126	20.1
123.08078	2.8
123.11721	4.1
125.09640	9.6
129.07013	8.0
131.08571	24.2
133.10129	26.6
135.08075	4.4
135.11708	14.4
137.09570	1.6
142.07840	1.5
143.08578	7.6
145.06509	2.3
145.10124	14.9
147.08047	3.8
147.11713	13.0
149.09634	9.2
149.13310	6.5
151.11206	5.7
153.09175	1.8
153.12790	1.8
155.08597	4.2
157.10150	9.3
159.08113	4.1
159.11679	9.9
161.09621	9.5
161.13289	6.1
163.11189	4.6
163.14847	1.8
167.08566	2.7
167.80502	1.6
169.10156	4.8
171.08116	2.2
171.11691	8.5
173.09665	2.3
173.13329	8.6
175.02934	1.4
175.11218	2.9
175.14928	3.1
179.10739	4.0
181.10123	2.5
183.11707	6.9
185.09715	2.5
185.13338	5.4
187.11249	4.0
187.14835	3.3
189.09441	2.6
189.11284	7.3
189.12825	2.3
189.82764	1.3
195.11774	2.0
197.13284	4.7
199.14986	2.1
207.10248	2.0
209.13344	2.8
211.11249	2.4
211.14813	1.9
213.12883	1.6
225.11250	5.5
227.12790	3.9
239.17941	2.5
241.19589	2.4
243.21159	2.4
251.12741	1.9
259.20761	3.5
261.22247	6.7
269.13840	1.6
273.22247	2.7
277.21741	3.5
281.13855	8.0
283.15396	2.1
287.23761	3.5
289.21512	2.1
297.22318	3.0
299.20041	2.9
301.21887	2.1
313.21979	2.0
315.23163	14.4
317.21375	2.3
333.24332	2.4
339.23276	2.3
341.20920	2.0
373.24103	2.6
403.29941	1.5
421.31030	8.0
423.32709	2.1
431.29407	3.7
439.32227	2.3
449.30377	10.5
457.33325	2.2
467.31543	18.1
485.32736	13.2
495.35239	2.4
513.35693	14.1
515.37201	1.8
523.34125	6.8
531.36920	14.0
541.28156	1.9
541.35278	71.8
559.36377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99181	1.0
64.38444	0.7
71.58598	0.9
83.10496	0.7
102.32257	0.8
114.90389	0.8
115.05475	0.9
117.05823	0.8
118.05699	1.2
118.06533	17.0
130.06519	1.8
132.08104	5.3
136.07603	1.0
142.06509	1.9
143.07280	1.8
144.08070	10.8
146.06010	58.9
152.47113	1.0
159.09184	6.7
160.07465	1.0
163.03909	6.0
164.07080	3.6
170.05998	3.6
182.08147	3.8
184.39601	0.9
188.07065	100.0
189.07417	1.5
205.09715	43.2
238.27467	0.9
353.93964	0.9
364.12000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75740	0.3
51.09166	0.3
59.39949	0.3
63.18681	0.3
66.54899	0.3
70.06573	0.3
71.04993	0.5
71.57284	0.5
71.57688	0.5
75.14514	0.3
79.05503	0.4
81.07054	0.8
82.87336	0.2
86.09722	0.3
93.07046	0.9
94.85721	0.3
97.06551	0.4
106.57272	0.3
107.08607	0.8
120.96640	14.5
123.11694	0.4
133.32225	0.3
135.11743	0.8
138.97711	0.3
153.12733	0.7
156.97517	0.4
163.03934	0.4
174.98509	1.5
181.22789	0.3
193.12010	4.1
195.58559	0.3
207.62617	0.3
211.13051	5.4
223.02180	0.4
230.95554	0.3
240.62280	0.3
241.03424	0.4
273.08792	4.2
291.09702	100.0
292.10013	1.3
309.09494	8.6
310.09644	0.4
332.11154	0.6
371.05142	0.6
389.06100	2.1
389.10754	0.4
407.07712	0.5
486.91519	0.3
541.17871	1.4
559.19214	11.4
560.19958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.9
53.03941	3.0
55.01870	1.1
55.05505	2.9
57.03437	4.6
67.05505	3.0
69.03423	9.2
69.07066	0.9
70.06593	1.2
70.73608	2.1
71.04987	1.2
75.04482	9.3
79.05491	18.4
81.03410	8.7
81.07052	6.7
83.04964	2.1
85.02912	6.0
87.04475	0.9
87.97694	0.8
91.05479	13.7
93.07041	95.6
95.04964	7.6
95.08614	4.5
97.02898	7.6
99.04443	2.0
103.05472	1.6
105.06294	1.0
105.07022	17.3
105.07677	1.4
107.04967	4.5
107.08588	16.7
108.04472	1.7
109.02842	3.8
109.06519	1.7
109.10170	7.9
111.04428	3.1
111.08096	5.5
115.05412	1.0
116.06305	0.8
117.03333	0.9
117.07021	1.4
119.08588	11.6
121.06512	2.8
121.10140	100.0
123.08062	3.0
123.11687	2.6
125.05982	1.7
127.03926	4.7
129.06970	1.0
131.04921	0.8
131.08566	5.7
133.06512	5.1
133.07393	1.0
133.10168	1.4
135.08051	2.9
135.11700	0.9
139.11185	4.5
145.02864	1.2
145.04918	1.7
145.10126	0.8
149.09622	32.6
151.11194	1.3
161.05983	8.5
163.03934	4.0
163.07559	3.7
163.11174	0.9
167.07051	9.7
167.10681	29.1
177.05434	1.5
177.09045	1.3
179.07030	1.0
181.08591	31.0
191.10655	1.2
193.08604	9.7
195.10165	6.3
197.08035	0.8
201.12910	0.7
205.12297	0.8
207.10182	2.3
209.11630	0.7
213.11205	15.9
223.09644	0.9
225.11237	6.6
229.12386	0.8
237.11176	1.8
243.22693	0.6
247.13177	0.9
255.12317	1.2
265.14395	0.9
275.12781	2.0
277.14178	1.0
293.13882	5.6
303.12073	2.3
311.14850	14.8
321.13354	1.5
329.15912	2.1
397.12869	1.4
505.24158	0.9
523.25714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.9
55.01871	2.2
57.03438	2.8
62.62571	1.6
69.03426	12.0
70.81357	5.2
71.05012	2.7
76.68697	1.6
79.05498	5.5
81.03407	6.6
81.07064	4.1
85.02912	19.2
91.05480	14.4
93.07032	3.8
94.04209	1.8
95.04977	4.7
95.08613	2.8
97.02898	5.3
97.64474	1.6
99.04442	3.3
102.20750	1.6
103.05473	18.8
105.07066	14.7
107.04961	27.9
109.02905	2.4
109.06479	3.2
109.10172	3.2
111.08064	2.1
115.03971	1.6
115.05451	4.8
116.98602	2.0
117.07066	2.9
119.04940	13.3
121.06503	10.1
121.10052	1.8
122.03658	3.4
127.03902	8.2
128.06221	1.8
129.06996	4.7
131.04945	26.0
131.08582	1.7
133.02879	10.1
133.06502	15.3
135.04433	2.1
135.08089	10.4
137.05989	100.0
145.04947	4.5
145.06403	2.4
146.07291	2.4
147.04413	11.8
147.08018	2.9
148.05193	2.3
149.05992	15.0
150.06738	2.3
151.07549	30.8
157.06421	4.1
161.04649	1.8
161.06000	67.5
161.09637	16.0
162.06816	8.0
163.07556	76.6
165.05573	2.7
165.07060	2.3
165.09122	7.7
167.07115	2.6
167.08482	2.3
169.06450	1.9
171.01262	1.6
174.06834	3.0
175.07555	14.6
177.05472	6.7
177.09103	13.9
179.07030	14.0
179.10754	2.4
181.08658	11.0
182.81387	1.8
189.09109	40.6
189.10738	3.3
191.06999	8.6
193.06554	1.5
193.08542	1.9
193.10168	2.7
195.08112	3.7
195.10120	1.8
203.07043	4.6
203.10713	3.5
205.08617	2.6
207.08209	3.5
207.10190	65.0
215.07089	2.1
217.08524	2.8
219.10100	8.5
221.07921	2.4
221.09819	2.6
221.11798	5.0
223.07513	2.1
223.09575	1.9
225.09142	2.2
225.11261	2.6
227.10635	5.5
229.08571	3.2
245.08333	2.4
253.08641	1.9
253.12230	3.3
255.10121	5.7
267.10254	3.5
273.11325	4.1
275.09262	2.5
281.79987	1.7
285.11264	6.0
287.12854	10.7
291.12268	6.9
297.11243	3.3
299.12741	2.2
311.12915	8.8
313.14301	14.3
323.11240	2.0
325.14252	2.6
331.15424	48.9
336.08759	1.6
343.15427	10.2
373.56784	1.7
469.18503	2.3
488.37527	1.9
516.01050	1.7
531.67773	1.5
543.69177	1.8
555.05450	1.5
559.14484	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	558.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.5
56.05032	2.1
59.60327	1.8
61.02917	1.8
67.05489	1.9
69.03410	4.5
70.06566	5.9
70.23212	6.9
70.23590	3.4
71.04992	2.0
79.05493	3.6
81.03409	3.3
81.07046	2.9
83.05008	3.5
85.02881	7.4
86.09705	3.4
91.05054	1.6
91.05488	19.3
93.07014	2.7
94.59592	1.7
95.04958	4.8
97.02871	5.3
103.05474	14.7
105.06998	8.8
107.04953	30.4
109.02857	1.9
109.06454	2.3
111.04461	3.1
115.05427	3.0
116.38503	1.7
117.07043	2.5
119.04935	17.7
121.06500	6.8
122.03648	2.9
127.03889	3.0
128.06239	2.9
129.06989	7.4
131.04929	20.3
131.08568	1.9
133.02809	5.1
133.06496	8.4
135.08052	11.1
137.05980	85.9
139.03867	2.3
145.02832	3.7
145.06412	3.1
146.03447	1.7
147.04399	19.3
147.07951	2.0
148.05188	2.5
149.06003	11.5
150.06734	3.0
151.07538	44.8
157.06430	6.4
161.05978	94.1
161.09616	22.4
162.06740	7.5
163.07542	50.1
165.05574	2.0
165.09053	2.2
167.08484	3.7
169.06508	2.6
174.06767	6.2
175.07469	10.8
177.05486	6.3
177.09074	4.2
179.06978	5.8
179.08511	1.9
181.08549	11.7
189.09100	58.4
191.07004	4.3
193.06674	3.4
194.07317	2.2
195.08060	7.3
207.10164	100.0
219.10144	6.9
221.05896	3.4
221.09593	3.7
223.07623	4.7
225.09097	3.6
227.10641	11.3
237.09120	2.1
249.09018	2.9
253.08580	5.1
253.12230	7.6
255.10136	12.5
265.08459	2.5
267.10175	3.2
269.08130	2.7
281.11667	2.3
285.11234	7.8
287.12762	28.3
293.11505	1.8
297.10986	2.7
299.12683	6.6
311.12845	12.1
313.14340	32.6
325.14404	3.9
331.15405	98.6
343.15567	11.0
558.20172	2.0
559.20990	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	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
51.76314	0.6
53.03939	2.5
55.01859	2.4
55.05509	14.1
57.03419	3.1
57.07059	2.4
62.57970	0.6
65.03925	1.6
67.05502	24.2
69.03436	1.0
69.07062	12.7
69.69127	3.8
71.04980	2.6
71.08607	0.8
75.27374	0.7
77.03904	0.6
79.05492	22.4
79.05956	1.1
81.03397	2.5
81.07050	25.9
83.04971	2.7
83.08610	6.7
85.06521	2.1
91.05476	24.7
93.07038	23.7
95.04969	5.6
95.08603	18.5
97.06522	2.7
97.10162	3.8
98.20759	1.4
98.98415	0.9
99.08098	1.2
105.07027	22.4
107.04948	2.2
107.08587	12.4
109.06527	2.1
109.10142	7.6
111.08096	1.8
114.15783	0.6
115.05474	1.9
117.07011	11.3
119.08572	18.6
121.06528	1.4
121.10137	7.6
123.08069	1.7
123.11697	1.9
125.09605	1.7
128.06216	3.8
129.07001	12.1
130.07776	0.8
131.08563	20.4
131.20076	0.7
133.06506	1.6
133.10120	10.6
135.08058	1.3
135.11665	5.3
137.09634	1.5
137.13289	1.1
141.06961	4.9
142.07796	3.5
143.08553	16.5
144.09299	0.8
145.06517	1.8
145.10115	16.1
147.11676	12.1
149.09653	1.1
149.13257	3.0
153.06923	1.2
154.07730	1.4
155.01109	0.9
155.08545	13.0
156.09322	1.5
157.06511	0.8
157.10107	15.4
159.08098	1.4
159.11690	11.7
161.09668	1.5
161.13226	8.7
163.11159	1.3
165.06989	1.3
166.07806	0.8
167.08575	5.5
168.09311	2.0
169.10132	16.6
171.07928	1.0
171.11687	15.9
173.09669	1.3
173.13254	9.7
175.11243	1.3
175.14775	3.8
177.12691	1.4
179.08588	1.9
180.09323	0.8
181.10133	8.4
182.10889	1.3
183.11682	14.6
185.09721	0.8
185.13261	11.6
187.11203	1.6
187.14772	3.8
189.12772	2.6
189.16422	0.9
193.10129	2.1
194.10878	0.8
195.11703	8.7
197.13257	10.3
199.14812	7.5
201.12796	0.8
201.16370	1.8
205.10182	1.0
207.11693	3.2
207.13821	2.9
209.13263	6.7
211.14786	6.5
213.12883	1.0
213.16385	5.0
215.14388	1.0
215.17915	0.8
217.19443	1.1
219.11847	1.3
219.17522	1.0
221.13217	3.4
223.14885	4.2
225.16446	3.4
227.18015	1.3
227.95941	0.7
232.17694	0.7
233.13237	1.2
235.14873	2.6
237.16415	3.8
239.18016	1.3
241.19551	5.1
247.14830	0.8
247.17044	1.5
249.16423	1.7
251.17921	1.6
257.18988	0.9
259.20560	9.1
261.16409	1.3
263.17981	1.5
265.19443	1.2
275.20148	1.2
279.15985	2.3
281.17343	6.6
285.22064	0.7
291.21109	0.7
293.18872	0.9
295.20621	1.8
297.22073	1.0
299.20181	0.9
307.20657	1.2
309.22177	2.5
311.20169	1.6
311.23547	1.1
313.21716	1.3
315.23340	1.5
321.22141	1.5
323.23746	2.4
325.25427	1.0
327.22995	1.1
333.24207	4.1
335.23712	1.5
337.25378	0.7
339.23218	2.1
341.24542	0.9
349.25330	1.7
353.24835	2.0
361.25824	0.8
365.25037	1.3
367.26099	1.4
371.25870	0.7
379.26382	0.8
419.33121	2.7
429.31439	4.8
435.32574	1.1
437.34250	8.4
445.30524	0.8
447.32626	19.9
455.36035	0.8
465.33643	22.0
483.34702	13.6
485.34213	1.0
493.36612	1.0
501.35699	2.5
503.34860	1.9
511.38043	1.6
513.35449	0.9
521.36218	7.7
527.37451	1.9
529.38812	6.7
539.37286	100.0
540.37677	1.4
557.38397	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2989
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.01870	2.2
55.05507	9.2
57.03440	5.5
57.07074	51.7
59.04985	3.0
67.05176	1.3
67.05502	16.1
69.07064	10.3
70.23804	2.8
70.24215	2.1
71.08627	38.3
75.04464	3.0
79.05473	2.7
81.07047	20.9
83.08609	13.2
84.42707	1.2
85.02905	1.8
85.10175	22.2
89.06028	1.5
91.05474	1.8
93.07007	3.3
95.08601	31.9
95.88905	1.1
97.10169	6.2
99.04451	1.2
99.11739	1.7
100.45135	1.0
105.07001	2.4
107.08548	1.5
109.02850	2.5
109.10148	15.2
110.03616	1.4
111.04362	1.3
111.11718	2.5
119.99222	1.1
123.11681	5.0
127.03867	1.7
133.10199	1.2
137.13232	2.9
139.14767	1.2
145.10088	1.5
151.14780	2.4
158.29576	1.1
165.16313	1.4
190.99969	2.2
221.22658	1.8
239.23672	38.2
242.97102	1.1
257.24747	5.8
276.20325	1.5
277.20831	1.3
298.27426	2.7
313.27344	100.0
331.28348	4.9
377.27438	1.2
473.82944	1.3
503.16388	1.2
539.28986	2.6
556.85931	1.3
557.37225	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82464	1.0
55.01859	1.5
55.05518	5.9
57.03426	1.4
57.07082	2.3
60.44096	1.1
64.53569	1.2
67.05177	1.2
67.05505	13.7
69.03432	1.9
69.07067	13.5
71.00063	2.0
79.05499	8.3
81.07059	25.4
81.83030	1.0
83.04984	6.7
83.08613	5.4
85.06561	1.3
91.05473	19.4
93.07045	17.0
95.04993	2.9
95.08042	2.3
95.08601	26.1
96.79716	1.1
97.10193	2.1
103.05475	2.7
105.07031	47.6
107.08597	22.4
109.06516	2.3
109.10145	16.4
111.04429	3.1
111.08132	1.2
115.05448	3.3
117.07015	5.1
119.08573	25.1
121.06428	1.2
121.10139	13.5
123.04440	5.8
123.08052	2.4
123.11689	13.8
129.07008	5.0
131.04915	4.2
131.08595	7.8
133.10121	22.7
135.04388	2.3
135.08034	1.8
135.11700	6.7
137.05983	2.4
137.13297	1.4
139.11223	1.6
141.06917	2.6
143.04930	2.5
143.08569	3.1
145.06470	3.9
145.10141	8.8
147.04391	4.8
147.11690	24.5
149.05995	4.3
149.09631	1.9
149.13277	6.9
151.14804	1.3
153.12758	1.8
155.08566	3.3
157.06456	3.8
157.10164	2.6
159.04405	5.0
159.08044	4.8
159.11662	4.7
161.06027	7.1
161.13254	20.8
163.03908	10.9
163.07533	3.9
163.11118	2.0
163.14839	4.1
165.05551	1.4
165.06966	2.1
167.08551	3.6
169.06587	2.7
169.10094	1.5
171.08023	1.8
171.11722	2.2
173.05995	15.0
173.13278	2.2
175.03934	4.9
175.07591	8.3
175.14853	7.2
176.04681	2.1
177.05504	5.2
177.09073	2.1
177.16374	5.9
179.08618	2.1
181.06494	4.2
181.10147	1.8
183.08011	3.4
183.11674	1.8
185.05960	1.8
187.03969	2.4
187.07550	21.5
189.05467	6.7
189.09134	2.9
189.16380	29.9
191.14285	1.9
193.06517	1.9
193.10152	3.5
195.07967	6.0
195.11807	1.8
197.06046	1.4
197.09648	1.7
199.07574	7.3
201.05524	2.4
201.09120	7.3
201.16377	5.8
203.07016	2.9
203.17950	33.6
204.18739	28.2
205.15875	3.1
206.07367	1.3
207.08054	3.9
207.11728	1.8
207.17458	3.3
209.09663	2.8
211.07539	6.1
213.05539	8.0
213.09056	8.1
215.07024	2.0
215.10658	2.6
217.04913	6.7
219.11690	1.2
221.09616	4.4
223.07697	2.1
223.11183	2.0
225.09114	6.0
227.06995	3.3
227.10674	4.1
227.12692	1.6
229.08655	1.9
231.06531	2.8
234.10614	1.3
235.11240	2.8
235.14928	1.3
237.09120	3.5
239.10641	6.9
241.08725	1.7
241.12315	3.5
249.12703	3.1
251.10603	1.4
252.11151	1.3
253.12238	4.4
255.13741	2.2
262.13489	3.9
263.10739	1.6
263.14380	3.3
267.13763	6.2
275.20056	1.7
279.13812	1.9
281.11697	3.2
281.15347	10.2
283.13315	1.4
291.13696	2.9
295.16882	1.8
303.17380	1.7
305.15854	1.7
305.18970	7.3
309.14890	3.0
319.20425	2.1
321.18494	8.9
323.16559	1.9
323.20038	30.6
337.21619	58.1
347.20038	10.1
365.21121	100.0
378.17203	1.3
383.22214	5.7
539.33411	2.5
557.26996	5.1
557.34521	9.3
564.63605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.05509	7.2
57.03420	2.5
57.07067	3.3
65.03920	2.0
67.05502	14.4
68.08643	1.4
69.03412	2.8
69.07065	14.3
70.73161	3.7
70.76117	1.8
71.04967	3.1
79.05481	9.9
81.03407	2.7
81.07053	25.9
82.40009	1.5
83.04984	8.5
83.08617	4.8
85.02902	6.9
88.93288	1.6
90.89587	1.5
91.05480	20.6
93.07056	15.5
95.04951	3.1
95.08049	3.2
95.08601	35.8
97.02911	9.7
97.06497	2.1
103.05478	7.4
105.07027	25.9
107.05019	1.5
107.08582	18.3
109.06502	3.8
109.10151	15.1
111.04416	7.4
111.08102	1.5
115.03909	4.3
115.05447	6.4
117.07021	5.3
119.08574	18.5
121.06493	2.1
121.10132	15.7
123.04426	6.6
123.08065	8.1
123.11688	11.7
129.07013	4.8
131.04950	11.1
131.08571	16.8
133.10120	16.5
135.04457	2.1
135.08040	3.7
135.11711	8.8
137.05980	10.8
137.13234	5.7
141.07013	3.5
143.04959	7.4
143.08554	3.4
145.06427	4.4
145.10129	12.2
147.04395	6.8
147.08047	2.9
147.11674	15.4
149.05957	11.8
149.09592	3.8
149.13219	6.3
151.07533	2.4
151.11060	2.4
151.14799	4.7
153.06978	4.0
153.12744	2.0
155.08565	2.1
157.06454	2.9
157.10085	3.0
159.04419	10.5
159.08041	2.9
159.11705	4.8
161.05984	15.2
161.09454	2.4
161.13286	3.9
163.03905	5.5
163.07545	4.5
163.11168	2.1
163.14847	5.9
165.05513	4.2
165.06943	2.1
167.08519	4.1
169.06371	1.7
171.08069	2.6
173.05978	32.9
173.13263	5.5
175.03862	5.9
175.07541	5.8
175.11250	1.4
175.14790	12.4
177.05461	10.2
177.16382	26.6
179.07053	3.0
179.08536	2.9
181.06464	9.3
181.90036	1.4
183.08046	3.1
185.13272	2.2
187.03891	4.8
187.07541	13.1
187.14812	3.8
189.05452	2.4
189.16354	12.7
191.14227	1.9
193.06490	2.0
193.10187	2.4
195.06461	1.8
195.08043	5.6
197.05913	3.2
197.09628	2.1
198.21173	1.7
199.07547	16.9
199.14732	4.4
201.09090	6.1
201.16370	9.0
203.06952	2.1
203.17986	3.4
205.15878	18.3
207.08113	1.8
207.11688	2.2
207.17444	25.5
209.09668	2.9
211.07506	5.2
213.05467	4.6
213.09131	8.8
215.07033	2.0
215.10611	4.1
217.04967	19.9
217.10136	2.6
217.15762	2.3
221.09627	3.9
223.07619	2.7
225.09204	7.5
227.07050	2.7
227.10669	3.9
231.06499	5.6
237.09061	3.3
239.10619	4.2
241.12279	2.9
249.12749	1.9
253.08551	2.0
253.12207	5.7
255.10028	2.0
262.13547	1.8
263.10742	2.5
263.14075	2.1
265.12207	2.3
267.13629	3.2
277.12106	1.7
279.10733	3.3
279.13690	2.0
281.11938	2.8
281.15347	5.8
291.13666	2.3
299.13052	1.7
305.15240	1.8
307.16910	1.6
309.14792	1.6
321.18442	4.5
323.16293	6.4
323.20068	15.2
337.18115	3.6
337.21594	59.6
347.20093	17.1
365.21106	100.0
366.52841	1.6
377.19528	2.6
383.22150	15.2
412.77280	1.6
557.27081	9.4
557.34906	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.05497	6.2
57.07061	4.8
67.05504	18.5
69.06716	2.1
69.07067	22.2
69.98412	10.0
79.05497	11.6
81.07054	29.5
82.68346	1.8
83.04971	5.8
83.08627	4.2
83.69128	1.5
91.05479	42.3
93.03370	1.8
93.07044	16.5
95.04972	3.5
95.08607	33.2
97.06530	1.6
97.10191	2.7
103.05454	5.3
105.07030	97.0
107.08601	17.7
109.10158	14.2
111.11702	3.1
115.05460	5.2
117.07018	4.9
119.08570	39.2
121.06432	1.7
121.10142	12.1
123.04432	3.7
123.08063	4.4
123.11710	12.2
129.06975	3.8
131.04979	9.2
131.08559	6.4
133.10129	43.4
135.04366	3.4
135.11685	5.1
137.05975	3.8
137.13249	3.9
143.04942	6.5
143.08594	2.7
145.06479	4.0
145.10114	7.2
147.04430	16.9
147.11693	31.2
149.05977	6.6
149.09656	2.0
149.13229	5.4
153.06989	5.5
157.06470	3.7
159.04413	12.7
159.11703	2.4
161.05963	11.0
161.13251	7.3
163.03938	10.1
163.14754	3.1
165.05450	2.8
165.06985	4.4
167.08589	3.0
169.06583	2.2
171.08022	2.2
173.05972	24.0
175.03929	12.8
175.07507	3.6
175.14828	5.9
176.04677	7.4
177.05467	10.6
177.16394	12.9
178.07832	2.9
179.08551	5.8
181.06465	11.7
185.06004	2.8
185.13269	2.3
187.03975	2.7
187.07565	9.4
189.05452	9.6
189.16385	64.8
190.17143	5.9
191.08560	3.7
193.06558	1.8
193.10168	7.6
195.08035	5.5
197.05925	3.5
199.07512	15.7
199.14723	2.1
201.05515	2.1
201.09177	2.3
201.16335	2.5
203.07060	1.9
203.17924	5.3
205.15833	9.0
206.07271	6.3
207.08046	6.7
207.17424	8.1
209.09642	3.6
211.07582	9.0
211.11191	1.7
211.33643	1.7
213.05487	15.7
213.09099	10.9
214.40331	1.7
217.04921	6.9
219.08328	2.2
219.11687	2.7
221.09618	7.0
221.13327	1.8
223.07510	5.6
225.09129	8.0
227.07076	3.9
227.10603	2.2
231.06531	5.9
233.09428	1.7
234.14026	2.5
235.11154	5.2
237.09108	6.7
239.10674	8.0
241.08531	3.1
242.05798	1.5
245.09868	1.9
247.11243	2.9
248.08150	2.4
249.12631	2.8
253.12288	5.8
255.10138	2.1
262.13535	9.1
263.14224	5.1
265.12198	3.0
267.13806	6.1
273.12772	1.8
277.12143	1.8
277.19614	3.4
281.11740	6.7
281.15216	3.4
291.13675	2.1
305.19003	17.5
309.14844	4.1
319.20712	1.6
321.18500	25.7
323.16730	3.5
323.20047	73.0
327.16034	2.1
337.17838	3.1
337.21616	35.9
347.19992	7.2
365.21136	100.0
383.22046	6.8
533.92474	1.7
539.25989	2.0
557.27136	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	556.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41655	14.7
57.07074	53.6
57.48056	16.2
61.07163	13.0
67.05495	30.6
71.08639	22.0
71.61137	17.6
71.61613	18.2
73.02887	14.0
76.80348	14.4
79.05511	22.3
81.07057	41.4
83.08588	20.3
85.10155	15.6
89.06039	25.1
93.07014	31.3
95.08616	62.7
104.10750	21.3
107.08562	29.5
109.62337	14.4
115.27296	17.1
119.08578	18.3
135.11697	54.5
141.23885	13.2
145.10103	34.8
163.11237	49.1
191.54504	14.1
204.10152	12.4
209.37038	15.3
225.42767	17.6
227.12747	89.8
283.15381	64.0
313.27350	100.0
423.15125	14.9
521.38580	68.7
556.53412	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	557.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.2
55.05510	5.0
57.07065	1.9
59.14069	0.6
64.98729	0.6
65.03957	1.3
67.05508	8.5
69.07061	8.5
71.04988	1.1
71.61498	0.8
71.61880	1.0
79.05490	5.5
81.07057	14.0
83.04984	3.7
83.08627	3.6
85.02909	1.0
85.82582	0.6
91.05491	7.1
91.06029	1.1
93.07059	10.4
95.04971	2.6
95.08607	12.5
97.10162	1.3
103.05440	0.8
105.07033	20.9
107.04924	1.3
107.08592	13.5
109.06484	1.6
109.09458	1.1
109.10159	12.9
111.04459	1.4
115.05460	1.5
117.07008	2.5
119.08585	18.7
121.10151	9.5
122.10919	0.8
123.04434	4.5
123.08022	1.3
123.11707	12.5
125.55794	0.7
128.06227	1.1
129.06972	3.2
131.04884	0.6
131.08560	4.5
133.10135	13.3
135.04414	0.9
135.08008	1.0
135.11681	4.3
137.05991	1.9
137.13289	1.5
139.03860	1.0
141.07011	1.4
143.04933	1.4
143.08568	2.6
145.06508	1.5
145.10144	5.9
147.04405	1.3
147.11688	18.3
148.12469	2.3
149.06004	1.1
149.09636	1.2
149.13260	7.2
153.06963	0.8
155.08563	2.8
157.06491	3.8
157.10138	1.6
159.08057	5.4
159.11736	2.9
161.05956	5.3
161.13263	24.1
161.14604	1.3
162.14075	0.8
163.03923	7.0
163.07495	3.8
163.14838	3.7
165.06998	1.3
167.08600	1.3
169.06502	1.9
169.10086	1.8
171.08040	1.7
171.11734	1.2
173.05971	3.4
173.09644	1.4
173.13251	1.2
175.04010	1.3
175.07542	11.6
175.14809	6.1
176.10597	0.7
177.09058	3.2
179.08572	1.4
181.06488	1.1
181.10129	1.8
183.08046	3.6
183.11644	1.0
185.06024	1.0
187.07549	17.7
187.14830	1.1
189.05479	3.8
189.09100	4.1
189.16385	9.0
191.07053	0.9
191.10640	1.0
191.14311	1.4
193.10182	1.7
195.08083	3.8
197.06038	1.2
197.09613	1.6
199.07567	2.6
201.09099	9.6
201.16382	6.5
203.06944	0.8
203.10690	1.8
203.17957	53.5
204.18739	37.7
207.08049	2.3
207.11897	1.0
208.08797	0.7
209.09656	2.2
209.13026	0.8
211.07558	3.9
213.05481	2.4
213.09113	4.2
215.07031	1.0
215.10703	2.7
221.09607	2.4
221.13235	1.0
223.07617	0.9
223.11194	2.2
224.08360	0.9
225.09084	4.4
227.07010	2.1
227.10684	3.2
229.08672	1.2
229.12326	1.0
233.07918	1.0
233.13353	0.8
234.10481	0.9
235.11258	1.6
235.14784	1.4
237.09183	0.8
237.12804	0.8
238.09801	0.7
239.10600	4.2
241.12233	3.9
245.71638	0.6
249.12759	2.0
251.10649	1.5
252.11476	1.0
253.08562	0.8
253.12216	4.0
255.13800	1.4
257.18985	0.9
261.12802	1.3
263.10693	0.9
263.14371	2.3
265.12241	2.7
266.09378	0.8
266.13007	1.5
267.09827	0.7
267.13754	4.8
269.11774	0.7
272.86163	0.7
275.20029	1.5
277.12296	0.7
277.15973	0.8
279.13864	2.5
280.14536	0.9
281.11954	1.9
281.15402	10.1
289.12125	0.9
291.13806	0.8
293.15506	0.9
295.13242	0.8
295.16962	1.7
305.15494	1.5
307.13309	1.6
307.16998	2.3
308.17657	0.7
309.14856	2.1
319.20502	1.0
321.18506	1.0
322.19330	0.9
323.16425	1.8
323.20068	7.2
332.17953	0.7
337.21609	61.2
347.20096	5.4
350.19147	0.9
365.21121	100.0
366.21375	1.0
383.22049	2.0
525.36102	1.0
539.33844	0.7
557.27155	1.4
557.35468	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	556.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06086	2.4
67.05507	21.0
69.03429	6.9
69.07027	2.6
69.40640	18.7
70.06596	11.4
72.85067	1.8
72.92896	2.0
79.05483	5.8
81.07049	9.6
85.02905	8.7
91.05466	7.2
93.07043	9.7
95.08616	14.4
97.02879	12.0
97.06535	4.0
103.03936	4.8
105.07030	11.7
107.08594	13.6
109.06504	3.5
109.10155	100.0
110.06026	3.4
111.04442	4.9
111.08064	2.5
116.07029	1.8
119.04950	2.2
119.08588	20.9
120.08103	4.0
121.10165	6.6
123.08081	5.6
123.11714	2.5
127.03889	4.8
128.07089	3.3
131.08575	3.5
132.39198	2.1
133.06493	8.6
133.10130	17.2
135.11693	3.4
137.13245	2.5
143.08556	3.3
145.05005	2.2
145.10123	5.0
147.04407	4.7
147.08044	9.2
147.11743	2.6
148.07573	3.1
149.09558	3.2
151.07655	2.5
155.05862	2.1
157.10188	2.8
159.11729	4.0
161.09587	13.1
163.03842	3.1
163.05991	3.4
165.09119	19.5
173.13310	2.3
179.10725	10.7
187.11111	3.3
189.09090	11.2
206.10522	2.2
207.10161	21.6
209.11746	4.3
219.13884	2.1
225.11214	92.9
244.75977	2.2
250.14000	2.7
265.09650	4.6
268.15460	4.8
269.18915	3.1
273.18372	2.8
281.09253	2.8
287.20090	3.9
297.18558	10.1
315.19528	26.2
333.20590	30.4
336.12952	2.9
346.17035	2.5
347.17606	3.6
358.15680	2.6
376.24655	10.6
400.16663	2.2
428.16107	8.0
430.18463	2.4
437.30627	2.5
446.17099	5.5
474.16595	6.3
506.19412	22.1
556.28613	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	556.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78851	4.0
55.05500	3.1
57.36309	3.2
59.05009	3.2
67.05497	15.3
68.20474	3.7
69.03412	6.3
70.06585	3.6
71.51311	5.1
79.05494	4.9
81.07043	11.5
83.04909	3.4
91.05481	5.5
93.07031	10.3
95.08582	16.7
96.34628	3.1
97.02878	13.4
97.06528	6.9
105.07015	14.0
107.08583	14.2
109.02861	3.1
109.06522	4.2
109.10149	100.0
111.04454	5.3
112.05048	3.8
119.08564	29.9
121.06535	3.5
121.10141	5.6
125.09597	5.4
131.08603	4.6
133.06503	6.5
133.10130	19.6
135.11696	4.7
137.09605	5.3
143.08508	3.8
147.08038	12.3
159.11688	7.1
161.09567	15.4
163.11154	3.2
163.44847	3.3
165.09097	24.1
179.10640	14.9
179.69547	3.7
189.09099	12.6
207.10219	17.8
209.11775	3.7
219.07043	3.1
219.13681	4.7
225.11186	99.4
230.57021	3.5
297.18466	18.7
315.19553	43.3
333.20560	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	556.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06086	2.4
67.05507	21.0
69.03429	6.9
69.07027	2.6
69.40640	18.7
70.06596	11.4
72.85067	1.8
72.92896	2.0
79.05483	5.8
81.07049	9.6
85.02905	8.7
91.05466	7.2
93.07043	9.7
95.08616	14.4
97.02879	12.0
97.06535	4.0
103.03936	4.8
105.07030	11.7
107.08594	13.6
109.06504	3.5
109.10155	100.0
110.06026	3.4
111.04442	4.9
111.08064	2.5
116.07029	1.8
119.04950	2.2
119.08588	20.9
120.08103	4.0
121.10165	6.6
123.08081	5.6
123.11714	2.5
127.03889	4.8
128.07089	3.3
131.08575	3.5
132.39198	2.1
133.06493	8.6
133.10130	17.2
135.11693	3.4
137.13245	2.5
143.08556	3.3
145.05005	2.2
145.10123	5.0
147.04407	4.7
147.08044	9.2
147.11743	2.6
148.07573	3.1
149.09558	3.2
151.07655	2.5
155.05862	2.1
157.10188	2.8
159.11729	4.0
161.09587	13.1
163.03842	3.1
163.05991	3.4
165.09119	19.5
173.13310	2.3
179.10725	10.7
187.11111	3.3
189.09090	11.2
206.10522	2.2
207.10161	21.6
209.11746	4.3
219.13884	2.1
225.11214	92.9
244.75977	2.2
250.14000	2.7
265.09650	4.6
268.15460	4.8
269.18915	3.1
273.18372	2.8
281.09253	2.8
287.20090	3.9
297.18558	10.1
315.19528	26.2
333.20590	30.4
336.12952	2.9
346.17035	2.5
347.17606	3.6
358.15680	2.6
376.24655	10.6
400.16663	2.2
428.16107	8.0
430.18463	2.4
437.30627	2.5
446.17099	5.5
474.16595	6.3
506.19412	22.1
556.28613	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	556.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.5
55.01891	2.1
55.05509	10.4
57.03440	4.1
58.32035	2.0
61.02930	2.2
67.05511	11.6
69.03436	6.4
69.07075	12.0
71.04994	6.7
71.05862	4.8
72.11856	1.6
79.05504	14.8
81.03426	5.4
81.07060	49.8
83.04987	3.2
83.08617	11.2
84.96004	1.8
85.02912	33.3
85.06554	6.3
89.03924	2.1
91.03963	1.8
91.05483	15.4
93.07060	18.7
94.06582	6.0
95.04977	5.0
95.07352	7.8
95.08614	53.8
96.08131	21.9
97.02891	11.6
97.06540	11.8
97.10149	4.6
99.04481	3.0
99.08110	7.1
103.05433	2.2
105.07040	21.8
107.08590	9.1
108.08134	11.7
109.02879	3.9
109.06509	2.0
109.10156	5.0
110.09690	31.9
111.08109	3.3
113.09662	2.7
115.07547	2.0
119.08586	29.4
120.08115	24.3
121.06494	2.2
121.10175	10.3
122.06075	2.8
123.08093	5.9
124.07582	9.9
127.03941	7.8
131.08563	2.4
133.10130	17.2
135.08112	2.2
135.11694	11.1
136.07562	11.7
137.09607	2.4
137.13261	12.2
138.05527	2.7
138.09146	31.1
141.09111	1.8
144.04462	3.7
145.02858	2.2
145.04990	8.4
146.06004	5.0
147.04504	1.9
148.07564	9.2
152.07080	6.2
161.13268	66.6
162.05519	3.3
162.34827	1.8
163.06023	4.4
166.08649	71.1
172.03920	19.6
174.05637	2.0
177.05486	3.7
179.14326	100.0
180.14674	1.9
190.04962	11.3
197.15390	56.9
198.07831	2.3
204.06589	30.8
215.16446	29.8
222.07904	2.2
223.08672	2.4
225.10291	2.9
227.08148	2.2
237.10312	8.8
239.08182	3.0
241.09677	3.5
251.08217	4.2
253.09746	11.9
265.09802	19.6
266.10510	2.3
267.07745	5.7
267.11267	5.6
279.07715	6.5
281.09262	14.3
283.10828	9.1
293.09323	15.1
295.10764	10.8
297.12424	4.4
299.10461	6.5
309.08841	2.8
311.10233	11.6
315.13672	2.5
321.08640	13.4
325.11865	16.2
327.09756	9.9
327.13260	4.1
331.12579	2.4
336.08804	2.3
339.09753	15.6
341.11301	6.2
343.13083	6.3
353.11511	12.3
359.12335	30.2
368.11038	2.3
371.12289	11.6
418.17517	3.7
436.18570	2.1
446.16992	6.7
448.18420	2.3
460.89838	1.9
464.18262	18.7
474.16632	8.1
480.21283	5.9
492.17673	54.9
493.17487	2.8
501.43597	2.0
506.19278	20.8
524.20251	28.7
525.20770	2.2
538.21973	3.7
551.38080	2.3
557.21692	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	556.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01868	1.9
55.05508	4.8
57.03434	4.3
61.02907	1.1
67.05519	3.0
69.03428	10.4
69.07046	1.4
70.06589	5.7
71.04974	1.3
71.56992	1.7
75.04471	8.5
79.05492	19.8
81.03412	10.4
81.07047	7.6
83.04996	1.9
85.02897	8.4
91.05472	16.2
93.07043	95.7
95.04966	7.1
95.08618	5.2
97.02895	17.2
97.06496	1.3
99.04463	1.9
103.05471	4.6
105.03385	1.5
105.07031	35.2
107.04936	2.1
107.08596	21.5
109.02878	4.3
111.04449	1.8
111.08109	5.8
112.46976	1.3
115.05452	6.0
119.08584	14.4
121.06598	1.6
121.10143	100.0
121.31648	1.3
123.08082	4.1
123.11727	1.8
125.09614	7.7
127.03902	6.9
131.04924	2.1
131.08577	4.4
133.06485	27.3
133.10132	2.7
139.11183	4.8
143.05986	1.3
143.08551	1.5
145.04933	3.5
145.27104	1.2
147.04453	2.5
149.09622	17.0
159.08101	1.3
161.05980	57.3
163.03922	3.4
165.09109	1.7
167.06955	1.5
167.10675	41.7
177.05492	2.5
179.10666	2.3
189.09186	1.7
193.06828	2.6
193.08603	52.1
207.10210	1.9
219.01657	2.0
225.11264	1.9
237.02849	2.3
239.02281	2.4
280.27478	1.2
293.13699	7.1
311.14825	15.3
315.19437	1.2
329.15924	4.1
330.28244	1.4
349.20197	3.5
365.05295	2.1
506.19452	2.4
538.21362	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01870	5.1
55.05510	6.1
57.03431	3.6
57.07069	5.2
59.04983	1.2
61.02924	5.2
65.03939	1.9
67.05505	8.6
69.03432	13.7
69.07055	3.5
69.31743	9.9
71.05000	1.6
72.67895	1.0
73.02919	1.9
79.05485	4.9
79.72569	1.0
81.03414	7.2
81.07055	21.8
83.05023	2.0
83.08621	7.8
85.02907	80.0
87.04465	1.1
91.03967	4.3
91.05484	35.4
93.07055	2.8
94.04179	1.7
95.04978	3.9
95.08612	28.3
97.02896	20.8
97.10173	10.4
98.60390	0.9
99.04460	3.1
99.08096	1.7
103.03954	1.4
103.05469	32.8
105.03396	7.1
105.07034	14.9
107.04957	4.8
107.08617	1.2
108.05724	0.9
109.02887	6.3
109.06520	5.7
109.10159	35.4
115.03939	1.4
115.05460	3.7
115.11229	1.6
117.07006	1.3
119.04949	43.7
119.08554	2.1
121.06516	4.0
121.10179	2.2
122.03660	3.9
123.08064	2.9
123.11711	41.5
125.05982	1.0
127.03915	23.6
127.78614	0.9
128.06238	1.6
128.59595	1.0
129.06987	2.4
130.04135	1.4
131.04933	58.6
133.02866	2.0
133.06480	14.4
135.04366	1.0
135.08061	2.5
136.05243	1.0
137.05981	100.0
137.13252	13.7
139.14850	1.4
141.06999	1.0
143.04962	2.0
145.04964	36.2
146.07336	1.1
147.04410	18.6
147.08043	3.9
149.05992	5.9
151.07550	23.4
157.06522	2.2
159.08040	3.4
160.05173	2.2
161.05991	27.7
162.06708	2.6
163.06044	25.6
163.07558	77.6
164.08315	2.0
165.05478	1.8
172.05185	3.3
175.07555	29.4
177.00598	0.9
177.05443	5.1
177.09128	2.8
177.16321	2.1
179.07043	28.9
179.08372	1.1
179.17963	37.2
187.07567	13.5
189.09061	2.5
191.07034	2.1
191.08641	2.2
193.08635	9.2
197.19016	49.4
199.07588	1.2
201.09248	1.1
205.08589	2.6
209.08051	2.2
217.08592	6.5
219.08096	3.9
219.10135	2.1
231.08130	1.3
239.86659	0.9
247.07634	2.7
251.10750	3.5
257.10242	1.6
261.09039	1.2
263.06964	1.1
264.07849	1.3
265.08603	1.5
269.11737	1.2
279.10284	4.2
290.05496	0.9
291.10114	3.1
309.11221	18.8
311.12796	16.7
311.16153	1.4
321.09537	1.2
323.12701	4.1
325.11349	2.7
326.69891	1.2
341.13831	10.7
341.22726	1.1
343.15518	1.0
359.24268	6.7
377.25449	2.2
466.25903	1.1
556.20795	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
55.01863	3.1
56.05032	1.1
61.02922	1.4
65.03953	2.5
69.03439	3.4
70.06593	2.2
71.59067	1.6
72.01878	1.0
72.08147	1.4
75.91188	1.1
79.05493	4.6
81.03399	1.7
81.07057	1.2
83.04989	1.5
85.02898	6.8
91.05484	33.8
93.07037	2.7
94.04182	1.9
95.04977	4.3
97.02883	3.3
103.05465	35.8
105.03392	5.7
105.07027	22.1
107.04955	3.5
108.95965	1.1
109.06530	7.7
111.04433	1.3
115.05465	5.4
117.07066	1.4
118.04156	1.4
119.04947	44.6
121.06518	4.2
122.03642	2.7
123.08048	2.3
126.79327	0.9
127.03914	3.0
129.06978	1.9
130.04117	1.3
131.04930	100.0
133.02893	8.5
133.06494	21.4
135.08032	1.8
135.11754	1.3
137.05977	85.1
141.92813	1.2
145.04904	1.7
145.06505	2.9
147.04399	21.8
147.07982	1.8
149.05962	6.6
151.07552	26.0
153.05501	1.8
157.06416	1.8
159.08081	3.4
160.05180	1.4
161.05984	86.1
162.06764	9.6
163.07544	59.1
165.05469	4.5
167.07027	1.5
172.05302	1.5
173.06062	1.2
175.07556	18.2
177.09114	1.4
179.07050	24.8
179.08507	1.0
187.07567	14.1
189.09132	2.4
190.06206	1.6
191.08563	2.1
193.08638	5.3
205.08562	10.7
217.08690	5.6
219.08058	4.4
235.09608	5.6
247.07518	2.1
251.10707	5.6
262.14038	1.1
274.08765	1.2
276.07736	1.4
279.10135	6.1
291.10223	5.1
296.10214	2.2
296.91980	1.0
306.55542	1.1
309.11185	8.8
311.12808	15.1
323.12775	5.9
329.13828	3.9
341.13840	12.3
353.29422	1.2
359.14984	3.5
368.22205	1.1
371.73993	1.2
470.01495	1.3
483.48868	1.2
516.69843	1.2
556.17938	7.6
557.18604	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.05509	6.3
56.87800	1.4
57.03426	3.3
61.02929	2.4
66.86558	1.5
67.05500	9.0
68.51537	1.6
69.03429	5.8
69.07069	8.9
70.06601	1.9
71.04990	3.2
71.59794	2.0
79.05494	10.1
81.03412	3.9
81.07059	25.5
82.06609	3.5
83.08604	4.8
85.02903	21.6
85.06520	2.2
86.09722	2.0
91.05473	12.9
93.07043	20.9
94.06578	10.9
95.04968	3.9
95.07342	9.9
95.08611	30.5
96.08139	29.1
97.02888	5.2
97.06552	9.0
97.10172	6.0
99.08110	3.8
103.05465	3.6
105.07024	11.6
106.06595	1.9
107.08582	7.3
108.08121	21.3
108.08797	3.0
109.02875	3.7
109.06539	3.8
109.10158	3.0
110.09683	47.5
111.08086	2.9
113.09647	2.0
116.04977	2.5
117.03416	1.6
117.06937	1.9
119.08598	15.1
120.04470	1.8
120.08112	31.8
121.06486	2.4
121.10148	6.3
122.06048	4.0
123.08081	5.0
124.07590	15.1
127.03934	8.2
133.06476	1.8
133.10143	11.7
134.05991	1.7
135.11697	4.5
136.07574	16.1
137.09645	1.8
137.13264	6.6
138.05516	3.1
138.09148	49.9
138.10210	3.1
139.07608	1.8
139.40630	1.6
140.80255	1.5
144.04414	5.1
145.02821	2.6
145.04964	6.2
146.06000	5.6
148.07584	11.4
150.09097	3.1
152.07114	8.3
161.05997	3.4
161.13261	40.8
162.05513	4.3
163.06064	1.7
163.07494	1.8
163.58742	1.6
166.08646	100.0
167.07065	2.6
172.03943	27.4
177.05545	2.8
179.14319	64.6
190.05009	19.5
193.08676	2.1
197.15372	48.3
197.31390	1.9
198.07626	3.1
204.06567	33.9
215.16447	20.2
223.08670	4.7
225.10164	4.6
227.08084	1.4
237.10252	14.0
237.12294	2.3
238.11011	2.0
239.08092	8.1
239.11859	3.1
241.09785	5.9
243.11316	2.1
249.10387	1.7
251.08255	7.9
253.09729	16.2
255.11282	4.8
265.09760	26.7
266.10513	3.5
267.07684	6.2
267.11258	8.4
269.09531	2.3
279.07678	10.4
279.10941	2.3
281.09210	15.3
283.10739	15.6
287.10236	2.7
293.09225	21.8
295.10812	16.2
297.09195	2.2
297.12366	6.6
299.10324	10.4
299.13513	2.4
309.08566	7.4
309.11954	2.9
311.10199	15.5
313.11761	4.2
315.13251	4.6
321.08682	19.7
325.11880	23.0
327.09760	20.8
327.13431	4.3
335.10956	2.0
339.09790	26.7
341.11386	9.4
341.19672	2.5
343.12830	5.4
353.11349	15.3
356.11157	1.7
357.14502	5.4
359.12381	46.1
359.16711	3.7
371.12463	19.5
388.16724	2.9
418.17752	6.9
432.15509	2.1
442.58615	2.0
446.17261	9.3
448.19165	2.0
464.18237	31.1
464.24655	1.3
474.16672	10.4
480.21231	11.3
492.17697	83.1
493.18365	2.0
506.19241	28.0
524.20398	40.8
538.21619	5.7
556.23401	3.0
557.21851	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.05509	6.3
56.87800	1.4
57.03426	3.3
61.02929	2.4
66.86558	1.5
67.05500	9.0
68.51537	1.6
69.03429	5.8
69.07069	8.9
70.06601	1.9
71.04990	3.2
71.59794	2.0
79.05494	10.1
81.03412	3.9
81.07059	25.5
82.06609	3.5
83.08604	4.8
85.02903	21.6
85.06520	2.2
86.09722	2.0
91.05473	12.9
93.07043	20.9
94.06578	10.9
95.04968	3.9
95.07342	9.9
95.08611	30.5
96.08139	29.1
97.02888	5.2
97.06552	9.0
97.10172	6.0
99.08110	3.8
103.05465	3.6
105.07024	11.6
106.06595	1.9
107.08582	7.3
108.08121	21.3
108.08797	3.0
109.02875	3.7
109.06539	3.8
109.10158	3.0
110.09683	47.5
111.08086	2.9
113.09647	2.0
116.04977	2.5
117.03416	1.6
117.06937	1.9
119.08598	15.1
120.04470	1.8
120.08112	31.8
121.06486	2.4
121.10148	6.3
122.06048	4.0
123.08081	5.0
124.07590	15.1
127.03934	8.2
133.06476	1.8
133.10143	11.7
134.05991	1.7
135.11697	4.5
136.07574	16.1
137.09645	1.8
137.13264	6.6
138.05516	3.1
138.09148	49.9
138.10210	3.1
139.07608	1.8
139.40630	1.6
140.80255	1.5
144.04414	5.1
145.02821	2.6
145.04964	6.2
146.06000	5.6
148.07584	11.4
150.09097	3.1
152.07114	8.3
161.05997	3.4
161.13261	40.8
162.05513	4.3
163.06064	1.7
163.07494	1.8
163.58742	1.6
166.08646	100.0
167.07065	2.6
172.03943	27.4
177.05545	2.8
179.14319	64.6
190.05009	19.5
193.08676	2.1
197.15372	48.3
197.31390	1.9
198.07626	3.1
204.06567	33.9
215.16447	20.2
223.08670	4.7
225.10164	4.6
227.08084	1.4
237.10252	14.0
237.12294	2.3
238.11011	2.0
239.08092	8.1
239.11859	3.1
241.09785	5.9
243.11316	2.1
249.10387	1.7
251.08255	7.9
253.09729	16.2
255.11282	4.8
265.09760	26.7
266.10513	3.5
267.07684	6.2
267.11258	8.4
269.09531	2.3
279.07678	10.4
279.10941	2.3
281.09210	15.3
283.10739	15.6
287.10236	2.7
293.09225	21.8
295.10812	16.2
297.09195	2.2
297.12366	6.6
299.10324	10.4
299.13513	2.4
309.08566	7.4
309.11954	2.9
311.10199	15.5
313.11761	4.2
315.13251	4.6
321.08682	19.7
325.11880	23.0
327.09760	20.8
327.13431	4.3
335.10956	2.0
339.09790	26.7
341.11386	9.4
341.19672	2.5
343.12830	5.4
353.11349	15.3
356.11157	1.7
357.14502	5.4
359.12381	46.1
359.16711	3.7
371.12463	19.5
388.16724	2.9
418.17752	6.9
432.15509	2.1
442.58615	2.0
446.17261	9.3
448.19165	2.0
464.18237	31.1
464.24655	1.3
474.16672	10.4
480.21231	11.3
492.17697	83.1
493.18365	2.0
506.19241	28.0
524.20398	40.8
538.21619	5.7
556.23401	3.0
557.21851	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05503	4.5
57.03434	5.7
57.07077	26.3
62.53234	0.6
67.05500	10.8
69.03417	0.8
69.07065	5.9
71.05007	0.9
71.08632	18.9
71.58878	1.0
77.72569	0.6
79.05482	1.4
81.03414	6.8
81.07056	15.4
83.08620	8.3
85.02895	0.8
85.10184	11.7
91.05441	0.9
93.07063	1.8
95.08605	19.7
97.10162	5.7
98.98463	68.6
99.04430	1.8
99.11735	0.8
105.07024	1.6
107.08585	0.9
109.02886	5.3
109.10146	8.8
111.11706	0.9
112.80418	0.6
116.99464	3.9
117.07009	0.8
119.08578	1.4
121.10139	0.9
123.11688	3.6
127.03898	1.5
131.08565	0.6
133.10123	0.7
137.13214	1.5
140.01077	1.6
140.84193	0.5
147.11705	1.0
155.01039	100.0
160.71556	0.7
161.13248	0.6
162.69720	0.7
173.02177	1.5
194.06516	0.7
196.03706	1.2
225.01535	0.8
239.23723	9.1
243.02521	0.9
299.05005	1.1
313.27356	68.5
314.27890	1.1
317.06290	8.6
383.27774	1.3
393.23975	8.9
401.28897	6.4
537.20935	0.7
537.28339	4.8
555.36694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.8
55.01867	4.1
55.05504	6.1
56.83334	2.3
57.03423	4.5
57.07063	2.7
67.05499	14.4
68.99793	3.3
69.03415	6.1
69.07056	6.4
71.04998	15.4
71.57207	4.9
73.31990	2.3
79.05468	10.7
81.03400	8.9
81.07053	23.5
83.04978	5.4
83.08610	3.9
85.02902	9.3
91.05472	12.1
93.07034	13.1
95.04964	8.0
95.08614	20.6
97.02908	4.8
97.06501	4.9
99.16734	2.4
105.07019	7.7
107.08566	4.7
109.02885	4.9
109.06525	6.3
109.10143	4.7
113.05996	8.6
114.07222	3.1
119.08583	13.5
121.10142	3.5
123.04403	20.6
127.03892	9.4
131.08588	3.7
133.10144	6.6
135.08011	4.2
135.11681	4.3
139.03880	5.3
145.06403	2.7
145.10063	3.6
147.04395	17.5
147.08018	8.5
151.03883	7.6
151.07550	9.4
151.11095	2.7
155.03389	4.1
161.06017	3.7
161.13249	17.2
163.03880	9.2
175.07555	13.5
177.05432	4.1
179.07018	16.1
179.14330	10.8
183.25322	2.8
189.05455	5.6
189.08981	4.0
191.06990	4.2
192.32986	2.5
193.04984	8.0
197.06271	5.3
197.08090	100.0
197.15405	3.8
203.07002	16.0
209.08054	6.8
215.07089	2.8
217.05122	13.3
217.08687	3.1
221.08081	28.8
230.35707	2.7
235.06030	10.6
239.09129	38.1
241.08548	4.0
250.14801	2.4
259.09607	7.3
263.09155	28.0
269.08005	4.1
281.26392	3.0
282.25955	10.9
287.09183	22.7
305.10205	24.7
323.11255	3.7
323.18515	9.2
423.90408	2.9
463.53958	2.8
526.37366	3.0
555.52759	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	555.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03946	1.7
55.01630	0.4
55.01874	5.7
55.05501	1.4
56.96555	0.4
57.03428	0.8
57.07056	0.7
59.06117	0.7
60.00304	0.4
61.02912	0.6
65.03943	2.3
65.27340	0.3
67.05507	5.7
69.03428	3.0
69.07079	1.9
71.60436	0.6
74.09768	0.4
79.05495	25.1
81.03419	0.9
81.07055	7.0
83.04987	3.9
83.08618	0.6
85.02909	1.3
85.06519	0.5
85.07651	0.8
91.05482	12.4
93.03407	1.0
93.07046	29.9
95.04974	10.1
95.08607	6.4
97.02898	1.4
97.06536	0.7
97.22696	0.4
98.98479	2.6
99.08069	0.7
100.11264	0.5
103.05480	0.6
103.08707	1.3
105.04510	0.6
105.06383	0.5
105.07034	6.6
107.04958	17.0
107.08595	40.8
108.08921	0.4
109.02876	0.4
109.06505	2.7
109.10165	3.2
111.04449	8.4
111.08073	1.5
115.05408	1.8
117.07025	7.6
119.04945	6.0
119.06098	0.7
119.08574	2.4
121.02866	1.1
121.06521	3.8
121.10145	2.1
123.04449	2.9
123.08063	0.6
123.11672	1.1
125.09656	1.2
127.03939	0.8
129.05484	1.2
129.06984	0.5
131.04878	0.5
131.08577	0.7
133.06502	2.1
133.10162	0.6
135.08054	100.0
135.11674	1.4
137.05968	1.2
137.09596	1.0
137.13257	5.4
139.03915	1.9
141.41458	0.3
145.06494	1.9
145.10143	0.7
145.24750	0.4
147.04413	43.6
147.08031	2.6
147.11719	0.9
148.04759	0.4
149.05952	0.7
149.09618	3.1
151.07469	0.4
153.07892	0.8
153.09109	12.1
155.03459	0.4
157.05058	0.6
157.06485	2.0
158.07303	0.9
159.08070	2.2
161.05992	1.2
161.09613	1.2
161.13251	2.0
163.07594	0.4
163.11136	0.6
165.05502	4.6
165.09206	0.5
167.07051	0.4
171.08057	1.3
173.06035	0.4
173.09647	3.2
175.07570	0.7
175.11177	0.5
177.05556	0.5
182.15381	0.4
184.08923	0.5
185.09618	2.9
187.07478	0.7
187.11206	1.0
189.05464	0.6
189.09123	0.6
189.12711	0.4
199.11180	3.3
200.11804	0.4
201.09138	0.6
201.12778	0.7
207.13913	0.9
209.09569	0.5
209.16582	0.7
213.09114	0.7
213.12778	1.1
215.10735	0.4
215.14238	0.3
223.11174	0.4
225.12746	0.5
227.10718	1.3
229.07193	0.4
233.05740	16.7
241.12242	0.7
241.15932	1.2
245.11742	1.0
251.06877	1.6
255.17448	4.3
257.08127	2.8
259.13226	0.6
263.12753	0.8
265.15897	0.5
275.09137	0.9
279.08646	0.8
281.13824	0.6
283.16931	9.9
291.12381	2.5
293.10275	0.6
301.17804	2.2
303.08539	0.5
303.23334	0.5
309.13333	29.1
321.09708	22.9
321.24243	0.6
339.25345	0.4
363.17981	0.4
363.80991	0.3
381.14633	5.0
389.10034	4.8
389.15356	0.7
407.11041	10.0
435.33463	0.4
435.75439	0.4
453.34399	2.6
454.35168	0.5
457.22134	4.9
474.16013	0.4
492.29382	0.5
505.28577	0.4
555.19885	3.2
555.28546	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01872	1.0
55.05503	3.9
56.18435	0.6
57.03442	1.2
57.07076	1.2
57.70799	0.5
61.02902	1.9
61.23802	0.5
67.05508	2.9
69.03434	4.7
69.07073	7.4
69.40585	2.8
69.41002	2.5
71.04987	2.6
71.08616	0.7
72.08150	0.6
73.02906	1.1
79.05494	3.2
81.03410	1.8
81.07062	8.2
83.04984	12.5
83.08621	5.3
84.08161	0.7
85.02907	19.4
85.06542	1.9
87.04475	0.8
91.03897	0.7
91.05473	2.3
93.07056	8.1
95.04964	2.3
95.08611	21.1
97.02895	5.1
97.10180	4.2
99.04450	1.3
99.08089	13.0
101.06017	0.6
105.07021	2.5
107.08599	24.2
109.02888	1.8
109.06534	0.5
109.10166	4.8
111.04469	1.2
111.08094	5.9
113.09652	1.4
119.04951	2.3
119.08557	1.3
121.06565	0.6
121.10151	39.4
123.08086	0.9
123.11706	1.5
125.09627	3.0
127.03922	3.8
129.20744	0.5
133.06575	0.6
133.10109	0.7
135.11710	9.2
137.05969	1.1
137.13249	4.2
139.11176	1.3
145.04965	7.9
145.10077	0.6
147.04417	14.4
148.12166	0.6
149.06015	0.7
149.13266	3.3
159.11603	0.6
163.06067	3.0
165.05322	0.6
177.05438	0.9
177.16396	100.0
178.16664	0.6
193.08600	1.2
195.17456	21.7
213.18509	48.5
257.10172	9.8
321.09720	8.4
321.21011	0.6
325.11475	1.4
375.23770	1.2
533.37372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62321	0.9
65.07823	0.8
67.05499	1.6
68.96895	0.8
69.03418	3.5
69.07070	1.5
69.32771	5.8
69.33197	3.2
79.05499	1.9
81.07053	2.6
83.04966	1.7
91.05477	3.6
93.07041	5.2
95.08601	2.8
97.02872	6.0
105.07033	7.1
107.08588	7.9
109.02902	1.3
109.06501	3.4
109.10177	2.0
111.08076	2.4
115.00672	0.9
119.08588	16.9
121.06534	1.2
121.10165	5.1
122.09650	1.5
123.08067	5.9
123.11671	1.9
125.09628	100.0
127.49925	0.9
133.06511	1.0
133.10130	14.0
135.11696	2.2
137.09587	2.8
137.55626	0.8
140.76849	1.0
143.08543	1.9
147.08037	9.9
147.09155	1.4
150.12769	7.2
151.11165	2.2
161.09630	7.9
163.11209	1.4
165.09120	13.4
179.10660	9.1
181.12334	1.1
189.09077	7.9
190.01294	0.9
203.10658	1.0
207.10176	14.4
219.13751	1.0
225.11223	35.6
229.15923	1.3
261.03256	0.9
262.98038	0.9
271.16858	1.5
289.18018	2.6
295.16949	1.4
303.19507	1.8
313.17926	2.8
320.48679	1.0
331.19067	16.4
344.38153	0.9
349.20084	89.8
350.20529	1.4
350.72391	1.0
367.21185	9.9
374.23236	3.4
390.22668	1.3
391.22748	1.0
392.24112	2.7
415.25067	1.0
503.10617	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62321	0.9
65.07823	0.8
67.05499	1.6
68.96895	0.8
69.03418	3.5
69.07070	1.5
69.32771	5.8
69.33197	3.2
79.05499	1.9
81.07053	2.6
83.04966	1.7
91.05477	3.6
93.07041	5.2
95.08601	2.8
97.02872	6.0
105.07033	7.1
107.08588	7.9
109.02902	1.3
109.06501	3.4
109.10177	2.0
111.08076	2.4
115.00672	0.9
119.08588	16.9
121.06534	1.2
121.10165	5.1
122.09650	1.5
123.08067	5.9
123.11671	1.9
125.09628	100.0
127.49925	0.9
133.06511	1.0
133.10130	14.0
135.11696	2.2
137.09587	2.8
137.55626	0.8
140.76849	1.0
143.08543	1.9
147.08037	9.9
147.09155	1.4
150.12769	7.2
151.11165	2.2
161.09630	7.9
163.11209	1.4
165.09120	13.4
179.10660	9.1
181.12334	1.1
189.09077	7.9
190.01294	0.9
203.10658	1.0
207.10176	14.4
219.13751	1.0
225.11223	35.6
229.15923	1.3
261.03256	0.9
262.98038	0.9
271.16858	1.5
289.18018	2.6
295.16949	1.4
303.19507	1.8
313.17926	2.8
320.48679	1.0
331.19067	16.4
344.38153	0.9
349.20084	89.8
350.20529	1.4
350.72391	1.0
367.21185	9.9
374.23236	3.4
390.22668	1.3
391.22748	1.0
392.24112	2.7
415.25067	1.0
503.10617	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.4
55.05521	0.8
60.14273	0.5
67.05505	0.9
69.03426	2.5
69.07059	0.8
71.60361	0.9
79.05495	1.6
81.03447	0.4
81.07060	2.8
83.05013	0.5
83.08563	0.4
85.54412	0.4
91.04996	0.6
91.05482	3.5
93.04736	0.5
93.07041	3.5
95.08601	3.4
97.02891	6.4
105.07042	5.0
107.08598	7.5
107.09309	0.8
107.28500	0.5
109.02900	0.7
109.06516	2.0
109.10170	1.6
111.04434	0.7
111.08090	2.6
113.06026	0.9
119.08581	13.3
121.06493	1.1
121.10144	4.8
122.09659	0.8
123.08076	5.5
123.11717	1.0
125.09631	100.0
126.09993	0.6
127.03947	0.9
131.08572	0.8
133.06516	0.6
133.10135	13.7
135.08104	0.5
135.11710	1.0
137.09589	1.3
143.08560	1.6
145.10187	0.7
146.99962	0.5
147.08034	6.9
148.08733	0.5
150.12776	5.1
151.11180	1.4
161.09615	8.4
163.11218	1.5
165.09122	11.3
177.09085	0.9
179.10670	10.0
189.09108	7.8
203.10605	0.8
207.10178	15.1
207.12074	1.0
225.11223	37.8
229.15933	0.8
271.17026	1.3
285.18503	1.6
289.17862	2.4
303.19574	1.2
313.17917	2.8
331.19083	16.8
349.20102	80.0
350.20468	0.7
367.21191	8.9
374.23157	3.2
390.22583	0.5
392.23984	2.9
413.30466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92665	0.6
66.92935	0.6
67.05492	1.2
69.03391	0.9
70.06610	1.3
71.59125	0.5
71.59540	1.1
72.54005	0.6
74.66740	0.6
79.05474	1.1
81.03384	1.0
81.07036	1.0
85.02886	2.2
86.09676	0.7
91.05463	3.2
93.07056	1.1
95.04962	1.3
95.08604	1.0
97.02888	55.2
98.03179	0.6
99.04421	0.8
100.11200	1.0
103.05443	0.8
105.03374	2.8
105.07014	1.6
107.04939	1.9
107.08586	0.8
109.02878	1.5
111.16541	0.7
115.05436	0.9
117.06987	1.9
119.08551	1.1
121.06508	2.2
125.09597	1.0
127.03885	2.1
128.06232	0.7
129.06956	1.2
131.04915	1.1
133.06520	0.9
135.04359	0.9
135.08034	1.1
136.05141	1.4
137.05991	3.0
144.05533	0.6
145.06528	1.1
146.07224	3.7
147.04437	1.1
147.08086	0.8
149.02641	0.6
149.05978	0.9
150.06728	2.0
151.07545	25.3
157.06512	1.8
160.05170	1.0
161.05977	2.3
161.09631	1.1
162.06721	1.6
163.07562	2.6
165.09099	10.7
175.07532	6.7
177.09102	100.0
189.09087	3.5
195.10170	0.7
200.92596	0.7
207.10139	1.1
209.09668	0.8
219.06548	2.1
221.11714	13.6
237.07571	2.5
238.07675	0.9
239.10556	1.0
241.12271	2.1
245.18472	0.6
267.10208	1.0
267.13797	1.5
268.10916	0.7
269.11783	2.0
270.12473	0.9
295.13287	0.8
299.12759	2.4
301.14328	6.8
311.12830	0.9
315.15930	1.3
327.15881	7.6
345.16956	31.2
357.16943	2.8
554.42676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
68.51202	0.5
69.26032	5.4
94.93042	2.2
97.38058	0.4
98.21526	1.0
102.14987	0.4
112.89610	30.7
118.08631	1.3
120.94535	0.5
136.94032	4.0
148.94003	1.3
150.91989	0.7
156.04221	4.8
157.04677	0.6
158.80174	0.5
164.93506	0.7
166.95082	1.9
168.92032	0.5
178.94926	0.5
186.93173	1.5
188.32201	0.6
188.51559	0.5
192.93022	0.8
209.95724	0.5
209.99364	0.7
210.87265	1.4
210.94070	100.0
228.94225	2.4
238.08669	0.4
246.95241	2.3
256.98254	0.6
270.95224	2.1
288.96329	0.6
300.96313	0.9
330.97400	0.9
372.98550	0.6
381.07959	21.0
382.08435	0.5
419.03534	8.3
455.11594	5.3
463.03842	1.1
492.96588	1.1
553.07391	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	553.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
51.50991	0.3
52.65984	0.3
53.03929	1.3
55.01866	0.4
56.76213	0.3
57.03432	0.4
57.53954	0.3
67.01850	0.9
67.05489	0.8
69.03429	3.6
69.07083	0.3
70.06583	0.8
71.04973	0.7
71.59225	0.6
72.08150	0.5
77.03926	1.0
79.05488	1.0
81.02975	0.5
81.03416	5.9
81.07053	0.6
83.01304	0.3
85.02899	2.0
85.07630	0.3
86.09726	0.3
87.00829	0.3
89.03925	0.6
89.07176	0.5
91.05467	0.5
93.07036	0.5
95.04980	2.4
97.02885	6.7
99.04456	1.5
105.03380	2.4
107.04965	3.7
109.02872	6.5
111.04429	0.6
117.03388	0.7
123.04430	5.7
127.03911	100.0
128.04276	1.0
129.04366	0.4
133.01823	0.6
133.02843	11.1
135.04399	2.2
137.02342	1.1
137.05959	0.9
143.03444	0.4
145.02879	0.4
145.04961	0.5
151.03908	4.1
153.05472	0.5
153.12764	0.7
155.03378	0.7
161.02327	3.3
163.03905	3.2
167.07054	0.4
179.03386	22.6
181.04933	0.6
197.04454	1.2
213.03967	0.5
231.05032	0.8
277.06958	0.7
279.08817	0.3
305.06567	1.0
323.07724	0.6
391.06738	0.4
427.08801	2.7
431.15359	0.3
553.17291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4025
Annotation	LysoPC(20:0)
Peak:m/z	Relative Intensity
55.05481	0.7
56.05017	1.4
56.96573	2.0
57.03419	0.7
57.07059	3.2
58.06596	1.0
60.07882	1.3
60.08168	19.4
62.32416	0.8
67.05489	2.8
68.74271	0.7
69.07047	1.6
71.07383	5.6
71.08620	2.4
71.58369	0.8
71.58794	1.2
79.05477	0.8
81.07055	4.4
83.08610	1.1
85.10171	1.8
86.09704	49.2
95.08614	4.2
97.10147	0.8
98.91230	0.7
98.98467	1.6
104.10744	99.9
107.08603	0.7
109.10151	1.9
109.93719	0.9
112.02840	0.9
125.00004	25.3
126.46718	0.8
149.01239	2.7
184.07344	100.0
189.68176	0.7
209.75092	0.8
217.24968	0.8
243.14293	1.6
258.11044	1.9
295.62543	0.9
319.19199	1.1
337.20428	1.6
369.33487	1.7
374.25879	3.2
374.76001	8.4
375.26147	3.1
513.46143	0.8
534.39069	7.6
552.40240	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.05030	1.3
57.03405	1.1
57.07066	3.8
58.06591	2.0
60.08169	15.2
67.05516	0.9
67.36254	0.8
70.11901	4.0
71.07381	4.5
71.08609	0.9
71.26375	0.8
71.96657	0.8
77.95892	0.8
78.63634	0.9
79.81979	0.8
81.07043	0.8
85.10176	1.7
86.09706	38.5
91.05466	0.9
92.44254	0.8
92.69841	0.9
98.20795	1.1
98.98441	3.1
104.10744	99.4
122.15761	0.8
125.00007	26.0
143.00993	0.9
184.07341	100.0
239.94002	0.9
258.11032	1.0
258.48413	0.9
267.15878	1.0
530.41418	1.0
534.39215	10.2
552.40204	50.6
553.40845	1.8
576.38654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
53.86869	2.4
55.01870	6.1
55.05515	11.4
57.03414	2.9
57.07074	2.7
65.03934	2.6
67.05505	19.1
69.03432	13.8
69.07073	23.9
69.52737	5.2
69.53156	12.9
71.02937	2.3
71.04993	9.7
73.06565	2.0
79.02074	2.3
79.05502	17.7
81.03415	6.1
81.07056	58.7
83.04981	9.3
83.08608	6.2
84.04517	10.5
85.02899	15.5
85.06532	3.4
85.85461	2.4
87.04512	2.3
91.05479	24.3
93.07048	100.0
95.04977	35.1
95.08606	57.7
97.02900	25.3
97.06535	15.8
99.04485	3.7
103.05489	5.9
105.07038	33.0
107.04938	3.0
107.08604	41.7
109.02835	3.6
109.06516	18.8
109.10158	47.9
111.08096	15.0
113.06015	5.2
115.07609	2.5
117.07023	6.2
119.08588	33.1
121.06511	7.3
121.10142	36.6
123.08076	10.0
123.11742	20.3
125.05990	7.7
125.09650	11.8
126.05491	3.0
127.03948	7.2
129.06973	2.4
129.09126	3.0
131.04916	8.8
131.08582	11.7
132.05243	4.1
133.06470	5.5
133.10165	21.5
135.08084	6.3
135.11670	19.6
137.05978	26.9
137.09608	42.2
137.13274	3.8
138.06342	5.6
138.67236	2.1
139.07539	5.4
139.11179	9.9
143.07048	5.5
143.08586	5.4
145.10120	26.6
146.52457	2.2
147.04417	4.4
147.08057	2.9
147.11679	17.8
149.09650	13.1
149.13264	6.3
151.03905	5.3
151.07544	5.4
151.11172	12.2
153.09125	8.9
157.08725	3.3
157.10133	10.5
159.11725	19.9
161.05954	13.0
161.08052	2.2
161.09666	6.0
161.13277	7.7
163.03917	24.2
163.07574	7.3
163.11203	8.9
164.07907	3.2
165.09070	3.4
167.07065	5.9
167.10687	13.9
168.07477	3.3
169.10132	5.3
171.11705	5.9
173.09610	2.7
173.13301	9.2
175.07581	3.3
175.09740	2.3
175.11194	2.9
175.14838	8.2
177.05490	9.3
177.12756	4.3
177.16322	2.5
178.05783	3.8
179.03514	3.6
179.06998	2.2
179.10669	9.3
183.11748	2.6
185.13330	6.8
187.07556	2.8
187.14828	9.9
189.12779	4.1
189.16397	3.0
191.14293	2.6
193.08627	8.5
197.11723	6.5
199.14854	5.1
201.16434	20.7
201.72325	2.3
203.14322	4.3
203.17906	4.5
205.15884	4.2
207.13783	4.0
211.14880	5.9
213.16373	5.0
215.17969	7.6
217.15866	4.8
219.17458	5.8
225.16437	4.6
229.15889	13.4
231.17352	5.0
233.08134	3.8
233.18990	4.2
234.09715	2.3
235.16878	3.2
243.17509	10.9
247.16945	32.8
249.18457	4.7
261.18436	12.3
265.17908	22.1
267.19513	4.2
273.22208	2.7
279.19553	31.6
283.18637	2.7
283.20779	4.2
289.21579	2.7
291.23196	7.0
297.20630	3.0
301.21689	29.2
307.22751	9.0
315.21564	2.5
319.22714	65.9
325.23703	3.4
337.23737	66.9
355.24847	20.4
552.27734	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88633	0.1
54.39490	0.1
55.05498	0.2
55.61896	0.1
56.05034	0.5
57.03413	0.1
58.06617	0.4
59.07371	0.1
60.08160	5.8
60.61071	0.1
65.56016	0.1
67.05487	0.4
69.07043	0.2
69.38592	0.9
70.06599	0.1
71.07373	2.9
71.08634	0.1
73.25489	0.1
79.05473	0.3
81.03396	0.2
81.07045	0.4
83.08600	0.2
85.02897	0.1
86.09702	28.1
91.05467	0.3
93.07036	0.2
95.08620	0.2
98.97852	0.2
98.98460	2.5
104.10738	4.3
105.07028	0.2
109.10149	0.2
124.99999	19.7
143.01065	0.4
177.05443	0.2
184.07330	100.0
185.07739	0.3
258.11063	0.3
292.33237	0.1
348.14468	0.1
395.21268	0.1
452.24127	1.0
512.84766	0.1
516.30859	0.3
534.31952	2.2
534.39307	0.2
552.33246	3.5
553.30566	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	552.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.0
54.42311	1.5
55.05508	8.3
55.31926	1.7
57.03433	1.5
57.07077	7.2
59.04987	3.1
64.73882	1.8
66.01733	1.4
67.05506	17.4
69.03434	11.9
69.07072	19.1
70.06590	2.3
71.04989	12.6
71.59239	1.6
71.59617	2.3
79.05493	16.0
81.03420	2.6
81.07061	44.5
83.04961	7.8
83.08604	4.4
85.02906	8.2
85.06543	6.7
91.05470	14.9
93.07047	55.4
95.04983	11.9
95.08607	39.6
97.02907	3.7
97.06534	6.2
97.10175	4.1
103.05452	1.8
105.07049	18.9
107.08606	30.0
107.68455	1.9
109.06525	7.6
109.10162	20.3
111.08080	6.6
117.07003	2.4
119.04961	2.3
119.08587	30.0
121.06535	4.6
121.10145	100.0
123.08073	11.3
123.11717	14.0
125.09650	13.8
127.03932	3.3
128.06223	1.8
131.08548	8.5
133.10132	11.8
135.08031	6.3
135.11691	19.3
137.06001	4.6
137.09622	24.3
137.13261	5.6
139.11192	11.4
141.09097	2.3
143.08571	4.6
145.10110	11.3
147.04413	3.2
147.08026	2.7
147.11678	6.9
149.09641	3.9
149.13326	2.2
151.11179	6.1
153.12758	6.3
155.10716	2.8
157.10133	9.2
159.11711	6.3
161.09598	4.5
161.13306	3.6
163.11234	8.2
167.10739	4.8
169.10179	3.8
171.11729	4.8
173.09669	1.8
173.13266	4.4
175.11148	2.4
175.14833	3.1
177.12692	1.7
179.07144	1.9
179.10730	5.2
181.12224	12.3
185.13258	3.9
187.14890	3.6
189.16389	1.9
197.13295	6.4
199.13216	4.5
199.14856	4.6
203.14368	3.5
213.16380	3.0
215.14326	5.2
217.15932	2.2
229.15865	2.0
233.15416	3.4
255.21144	2.3
265.19473	2.0
266.83527	1.9
273.22092	2.2
275.19864	2.8
283.20581	9.5
288.14053	3.1
289.21695	3.4
291.23163	2.4
301.21646	32.4
307.22604	10.5
319.22678	52.8
337.23764	40.8
355.24854	13.8
375.02588	2.2
552.24896	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58877	0.1
55.05502	0.2
56.05050	0.5
58.06316	0.2
58.06622	0.5
60.08162	6.2
60.54453	0.1
67.05489	0.3
67.06690	0.1
69.03439	0.2
69.07057	0.4
69.59251	0.2
69.59662	0.6
70.06589	0.2
71.07375	2.8
71.44141	0.1
79.05477	0.2
81.03397	0.1
81.07049	0.6
83.04971	0.2
83.08593	0.1
84.04485	0.3
85.02891	0.3
86.09703	29.5
87.00857	0.2
91.05484	0.3
93.07050	0.3
95.04974	0.2
95.08587	0.4
97.02876	0.2
98.98461	2.7
104.10039	0.2
104.10738	4.5
105.07039	0.2
107.08635	0.2
107.70960	0.1
109.02838	0.1
109.10147	0.3
121.10207	0.2
123.11686	0.1
124.99999	20.1
126.05520	0.1
126.81643	0.1
127.03919	0.5
130.61937	0.1
133.10112	0.1
135.11697	0.1
143.01070	0.4
145.02850	0.1
158.74722	0.1
166.02711	0.2
177.05457	0.2
178.05804	0.2
184.07333	100.0
185.07672	0.3
193.19891	0.1
258.11060	0.4
304.60083	0.1
339.13425	0.2
452.24048	1.1
489.31931	0.1
516.30939	0.3
520.20862	0.4
534.31848	1.6
548.85553	0.1
552.33130	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	552.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25593	0.1
55.05498	0.1
56.05036	0.4
57.80355	0.1
58.06355	0.2
58.06628	0.5
59.07401	0.2
60.08159	6.2
67.05506	0.3
69.07051	0.1
70.06620	0.1
71.07368	2.8
71.33734	0.2
79.05472	0.2
81.03423	0.1
81.07063	0.3
84.80211	0.1
86.09699	29.5
91.05501	0.2
93.07034	0.3
93.64929	0.1
95.08590	0.3
97.91184	0.1
98.98452	2.7
104.10732	3.1
105.07014	0.2
115.59575	0.1
124.99995	20.1
127.34810	0.1
133.10036	0.1
143.01021	0.4
147.11610	0.1
160.51051	0.1
179.57037	0.1
184.07326	100.0
185.07590	0.4
233.84499	0.1
258.10938	0.3
275.91302	0.1
310.91953	0.1
335.95505	0.1
403.16190	0.1
436.24493	0.2
446.23026	0.3
464.24051	2.2
472.35895	0.1
500.31012	0.3
516.31171	0.1
518.32422	2.6
534.31085	0.2
552.28778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47211	1.2
52.63041	1.3
55.01857	2.2
55.05507	3.4
57.03433	3.9
59.04999	1.7
61.97068	1.2
61.97426	1.2
67.05498	6.3
69.03418	4.3
69.07067	5.4
69.86438	7.5
71.04996	3.1
73.06615	1.3
79.05501	8.5
81.03415	2.9
81.07066	19.0
83.04975	4.0
83.08621	1.9
83.18935	1.7
84.04485	3.8
85.02904	9.2
85.06544	2.1
91.05489	8.4
93.06469	1.6
93.07045	24.4
95.04951	6.3
95.08627	11.0
97.02895	5.0
97.06523	5.7
99.04451	3.7
101.06004	1.3
103.03960	3.0
105.07041	19.9
107.08592	18.4
109.02876	3.9
109.06543	7.2
109.10152	8.1
111.04424	1.9
111.08072	3.8
113.02366	2.1
113.06046	1.4
117.05486	5.1
119.08584	11.0
121.06512	8.9
121.10157	8.2
123.08080	6.2
123.11684	6.3
125.06004	4.3
125.09616	1.9
127.03905	10.3
127.07557	3.9
128.04250	3.2
129.05490	5.0
129.07002	2.0
131.04927	2.1
131.08585	2.1
133.06509	1.7
133.10159	8.2
135.04465	2.1
135.08067	6.9
135.11719	3.0
137.05980	6.7
137.09625	2.8
138.06288	1.4
139.07552	6.3
143.07072	1.7
143.08559	2.9
143.87001	1.4
145.02856	1.3
145.10097	4.5
147.08099	2.0
147.11696	28.7
149.13301	4.6
151.11098	1.4
153.22749	1.3
157.08705	2.8
157.10139	5.9
159.11691	1.9
161.05939	2.1
161.13248	4.0
163.03944	2.9
163.07524	2.8
163.11172	1.2
164.04295	1.4
165.12770	21.1
167.07066	1.6
171.11713	4.3
173.09628	1.8
173.13177	1.5
175.11235	9.2
177.05505	5.8
178.05820	2.9
181.10068	2.0
183.13812	2.3
189.12747	8.9
193.12283	13.4
199.11224	4.7
201.16411	1.9
207.13834	5.1
209.15405	3.5
217.12209	16.6
229.14375	4.8
235.13301	17.6
253.14406	20.0
261.18497	1.6
265.18054	3.9
271.15381	3.1
279.19543	4.3
283.19107	3.1
291.16077	1.9
301.21652	2.3
307.52649	1.4
309.16971	13.3
319.22742	4.5
327.18039	100.0
328.18338	2.1
337.23746	2.8
479.61954	1.2
481.20721	1.5
499.22299	2.3
517.22717	7.4
552.28247	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	552.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.3
53.03946	0.3
55.01881	0.3
55.05518	0.6
57.03437	1.0
57.07068	0.4
60.04556	0.3
61.02920	0.4
67.05505	1.2
68.99781	0.8
69.03427	4.7
69.07063	1.6
70.05278	1.4
71.04993	0.5
73.02921	0.4
79.05492	1.3
81.03421	1.2
81.07059	5.8
83.04982	0.9
83.08630	0.8
85.02905	9.7
85.06541	0.3
87.00829	27.0
87.04473	2.5
91.03948	0.5
91.05479	0.9
93.07042	2.3
95.04957	1.0
95.08611	2.9
97.02892	100.0
97.06512	0.6
97.10175	0.3
98.03237	0.4
98.97568	0.3
99.04452	0.9
99.08061	0.3
101.02423	0.3
105.01866	14.7
105.07030	1.7
107.08593	1.8
109.02905	0.8
109.06521	0.8
109.10146	1.3
111.04450	1.0
111.08101	0.3
115.03942	3.3
117.06995	0.3
119.08586	2.0
121.06532	0.4
121.10134	1.8
123.02953	0.3
123.04390	0.4
123.08073	0.4
123.11690	1.9
125.00006	0.3
125.09641	0.4
127.03928	1.6
129.01828	0.3
131.08580	0.5
133.04967	0.8
133.10153	1.0
135.08035	0.5
135.11674	1.1
137.05992	0.8
137.09627	0.4
137.13252	2.0
139.07541	0.4
143.03409	0.6
143.08559	0.5
145.04944	0.5
145.10123	0.8
147.08064	0.5
147.11687	1.1
149.09615	0.3
149.13246	1.2
157.04973	0.4
157.10152	0.7
159.02914	1.1
159.08070	0.3
159.11711	0.7
161.09650	0.4
161.13268	0.9
161.87698	0.3
163.03897	0.7
163.11208	0.4
164.27937	0.3
165.12794	1.0
167.07053	0.6
167.08470	0.2
167.14276	0.3
171.02901	0.6
171.17996	0.3
173.13292	0.3
177.04001	0.6
177.05461	0.7
177.12769	0.6
179.14230	0.4
184.07335	0.6
185.13217	0.3
187.14835	0.6
191.14343	0.5
192.99951	0.3
195.13876	0.3
197.13216	0.3
201.03940	37.1
202.04449	0.3
203.14320	0.9
215.14336	0.8
219.04996	12.0
221.15411	0.8
233.15311	0.9
236.07576	2.1
251.16422	1.3
251.97784	0.3
263.16632	0.4
281.17365	0.3
303.07095	0.3
310.02557	0.3
311.18491	1.1
319.22415	0.3
325.16531	0.7
337.16449	1.9
345.08215	5.0
355.05069	0.3
355.17575	0.6
363.09088	2.1
499.19913	0.4
533.52484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98829	0.4
55.01895	0.4
55.05544	0.5
64.69021	0.3
67.01917	1.5
67.05544	0.7
68.99841	0.5
69.03462	0.8
69.07108	0.4
70.06638	1.6
70.21288	1.2
73.02966	0.4
79.05544	0.8
80.05048	0.4
81.03439	0.9
81.07088	0.7
82.06602	0.4
85.02954	1.1
86.09743	0.4
87.00866	0.4
89.03967	0.7
91.05538	1.4
93.07053	1.7
94.06629	1.6
95.05035	0.5
95.07394	1.0
95.08640	0.5
96.08131	3.1
97.02950	1.0
97.15643	0.4
98.97681	0.4
100.11332	0.8
103.05544	0.4
105.01910	0.4
105.07099	0.6
107.08659	0.4
108.08119	2.4
109.02951	0.6
110.09683	4.5
111.04572	0.4
117.03410	1.7
120.04469	2.6
120.08105	4.0
121.10143	0.4
124.07643	0.7
127.03877	2.1
128.04355	1.1
131.04987	0.5
133.10222	0.4
135.04500	0.9
136.07599	3.7
137.06071	1.1
138.09140	7.8
145.02831	3.8
146.03168	1.7
147.04588	0.5
148.07663	1.2
149.06073	0.5
150.09201	0.7
151.06516	0.5
151.07628	0.8
152.07089	0.6
152.10706	0.5
153.01825	16.4
154.02162	7.5
161.06070	0.4
163.03899	3.1
163.07590	0.5
164.04341	0.6
164.07074	0.6
166.08626	6.9
167.07156	0.6
171.02884	8.9
172.03200	3.4
177.05452	6.1
178.05792	3.3
179.03511	1.3
180.03845	0.8
180.10226	0.4
182.11949	0.4
182.15474	0.4
185.10760	0.5
194.08260	1.1
196.09950	0.6
197.10826	0.6
198.11493	0.4
209.10847	0.5
209.16559	0.4
210.14911	0.4
212.09775	0.4
223.08882	0.9
223.12419	0.7
224.09570	0.5
225.10187	2.5
226.11159	0.4
227.11996	0.7
233.10858	0.7
235.08769	1.0
236.09509	1.0
237.10190	5.7
238.11200	1.1
239.08301	1.1
239.11763	3.4
241.09766	0.5
245.13039	0.6
247.08934	0.4
248.09558	1.0
249.10245	3.9
250.11153	1.6
251.08176	2.3
251.11862	4.2
252.09062	0.6
252.12747	1.2
253.09717	4.1
254.10638	0.5
255.11412	0.7
261.10336	2.0
262.11124	0.8
263.08252	0.8
263.11829	2.9
265.09689	7.1
265.12274	0.5
266.10724	1.5
267.11237	4.2
268.12225	0.6
269.09259	0.5
269.12720	0.4
271.10831	1.8
277.09702	2.1
278.07614	0.5
278.10434	3.3
279.07831	2.5
279.11423	6.9
280.12195	1.3
281.09369	2.3
281.12909	1.7
282.10144	0.7
283.10825	4.9
283.13992	0.6
285.12241	0.7
287.14026	1.4
289.09714	3.7
291.11453	1.5
293.09326	1.3
293.12988	3.3
294.10022	4.1
294.13348	0.4
295.10773	3.4
296.11606	2.1
297.08820	0.8
297.12598	1.1
299.10373	1.1
303.08594	9.5
303.11743	0.5
304.08963	16.4
305.09259	0.5
306.09888	0.9
307.10715	1.7
308.11594	0.9
309.12338	2.5
310.13376	0.4
311.10376	5.2
311.14001	2.1
312.11002	2.1
313.11850	1.8
314.12698	1.5
317.09256	1.1
321.12427	0.4
323.10318	1.1
323.14114	1.3
324.11020	1.9
325.11871	1.2
326.12573	3.7
327.13351	6.2
335.10245	7.6
337.11801	0.6
339.13385	42.7
340.10416	1.8
340.14191	0.5
352.10715	0.7
353.11386	0.7
354.12186	2.9
355.12878	12.6
356.13718	0.5
367.12900	25.6
374.14914	0.4
386.14700	0.6
387.15543	0.9
399.15451	0.4
402.18097	0.4
418.17682	0.5
436.18536	0.4
451.21054	1.3
452.21823	0.5
460.18924	1.2
479.20724	1.7
488.18158	10.8
492.21249	4.2
502.19531	0.6
520.20801	100.0
521.21173	0.8
538.22046	1.5
552.23456	13.2
552.45190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.8
55.05513	10.5
57.03433	6.2
57.07080	27.2
60.70745	1.6
62.73806	2.0
65.56276	2.2
67.05514	21.9
69.03418	2.0
69.07072	12.5
70.21154	1.8
71.04990	2.5
71.08634	23.2
71.60905	2.3
74.24096	1.7
76.43845	1.7
79.05494	13.6
81.03420	30.1
81.03857	2.7
81.07054	23.6
83.04976	5.1
83.08631	13.8
83.09467	1.8
85.02898	13.6
85.10175	9.9
91.05477	15.6
93.07030	8.7
95.04970	10.9
95.08621	19.6
97.10184	8.0
105.07033	8.9
107.08599	5.0
109.10168	10.2
111.08129	3.6
111.11749	2.8
116.29628	1.8
119.08597	8.1
121.10162	4.9
123.11731	3.6
129.07036	4.0
131.08607	5.0
133.10164	4.1
135.53171	1.7
145.10226	2.2
147.08124	2.0
147.11697	5.0
157.10167	7.3
175.11240	6.3
180.87140	1.7
193.12260	25.3
211.13303	25.8
240.26808	1.8
267.16064	6.4
267.27060	2.5
341.30698	4.1
479.15256	2.1
510.56265	1.9
526.70490	1.9
533.42767	2.1
551.43188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01863	2.3
57.03438	20.1
59.05004	4.2
60.15022	1.9
64.24805	2.0
65.03950	2.0
69.03432	86.8
71.04978	2.6
71.58814	3.3
73.02924	4.3
75.04482	2.5
79.05483	3.8
81.03419	11.1
83.01340	3.5
83.05002	5.0
85.02910	58.3
86.09725	2.4
87.04475	47.7
91.03959	2.8
91.05484	42.2
95.04994	3.6
97.02894	74.6
97.06538	2.0
99.04455	9.5
103.03946	3.2
105.07032	3.7
107.04958	5.2
109.02895	5.1
111.04430	4.4
113.02360	2.0
115.03934	87.5
117.05484	7.1
123.04408	2.3
127.03908	17.5
131.04933	4.3
132.05275	2.8
133.04968	100.0
133.06462	4.4
135.04390	4.6
139.03903	10.2
145.04982	19.1
149.04509	7.3
150.07628	8.0
153.05580	3.0
157.04973	14.4
161.04462	4.8
163.03876	2.9
164.01086	2.2
175.06065	4.3
181.05008	3.9
193.04948	4.0
199.05847	2.5
211.06039	8.0
223.09688	20.0
229.07112	48.9
241.07117	2.5
247.08156	23.8
253.10710	3.5
259.08191	9.5
265.09219	62.3
282.11917	4.1
295.10281	12.1
316.11987	2.8
534.19482	3.9
552.21539	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	551.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05976	2.4
53.03928	3.1
55.01866	4.6
55.05516	32.5
57.03423	4.8
57.07072	28.2
67.05502	34.9
69.03426	27.1
69.07065	69.8
70.75255	5.9
70.75658	5.3
71.04978	7.1
71.08631	17.6
73.02909	2.8
77.56375	2.7
79.05474	8.3
81.03418	17.8
81.07053	92.2
83.04963	6.9
83.08616	52.3
85.02902	43.2
85.06530	15.3
85.10197	4.8
86.09662	5.6
87.00823	22.8
91.05482	6.7
93.07017	6.8
95.04926	4.6
95.08602	100.0
97.02888	23.0
97.10162	53.8
99.04445	3.3
101.22597	2.7
105.01851	18.5
105.07042	8.1
107.08569	9.4
109.02873	16.4
109.09466	5.7
109.10153	78.1
111.04411	10.7
111.11726	48.0
113.09657	3.1
119.08562	4.8
121.10130	4.3
123.11699	53.1
125.00001	2.9
125.13255	16.6
127.03914	46.9
131.08591	3.6
135.11679	5.3
136.07539	3.2
137.05943	7.2
137.13257	27.4
138.09088	3.2
139.14810	8.8
145.02806	3.4
145.04933	6.2
145.10074	4.7
151.07559	3.7
151.14832	18.5
153.16425	4.7
159.02853	4.5
163.03899	8.6
165.16382	9.9
166.08551	3.6
167.06993	8.7
171.11742	3.0
173.13194	3.0
177.05460	13.2
179.17918	10.9
184.07359	15.3
185.18993	3.9
193.19528	19.8
231.05006	9.6
237.10065	4.9
249.05945	2.8
249.10184	6.8
249.25763	37.6
249.95235	3.2
265.65717	2.8
267.26813	61.9
279.11203	3.7
285.27786	16.1
293.09207	11.5
351.09641	4.0
385.13544	3.0
478.19644	7.4
519.18256	3.0
551.15161	4.7
551.22345	24.6
552.22119	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	551.2855
Annotation	(+)-N(6)-Acetoxyaphelandrine
Peak:m/z	Relative Intensity
53.03945	4.5
53.69284	2.2
55.05506	7.1
57.03432	4.0
67.05515	20.8
67.60899	2.0
69.03425	7.0
69.07071	9.8
71.01354	9.0
71.60525	3.8
73.02934	11.0
76.72708	2.1
79.05496	14.5
81.03433	3.2
81.07050	34.2
82.40073	2.2
83.01331	2.5
83.04973	3.0
83.08637	3.1
85.02898	29.3
91.05486	14.3
92.87726	2.1
93.07040	35.0
93.19490	1.8
95.01340	15.7
95.04956	9.4
95.08607	42.4
96.40488	1.9
97.02883	5.2
97.06514	8.5
99.00849	3.8
101.02390	3.5
103.03863	2.7
103.05486	2.9
105.06377	4.0
105.07034	42.6
107.04939	3.2
107.08595	29.5
109.06541	5.4
109.10169	21.9
113.02382	6.7
117.07009	9.6
119.08586	45.8
121.06475	6.5
121.10153	21.7
123.08050	6.0
123.11687	3.7
125.09640	2.7
127.03915	5.5
128.06233	3.1
129.06992	6.8
131.03418	5.5
131.04959	4.0
131.08566	29.1
133.10126	22.8
135.08061	8.6
135.11687	7.1
137.09628	2.6
141.01823	22.6
141.06886	3.9
142.07747	3.3
143.08569	20.3
144.09381	4.9
145.02844	3.1
145.10120	45.0
147.08026	3.5
147.11690	37.1
149.09607	6.0
149.13242	7.4
156.09364	5.4
157.10141	25.5
158.10861	2.8
159.02875	4.1
159.08076	4.1
159.11699	54.6
160.12494	2.8
161.09662	3.8
161.13266	19.9
163.03902	6.6
163.11194	3.4
167.07140	3.4
169.10156	6.4
171.11720	17.6
173.13263	35.4
175.11163	5.3
177.05484	5.8
177.12747	2.5
181.10161	2.8
183.11708	4.2
184.07370	4.2
185.09641	2.8
185.13240	15.8
187.11147	6.8
187.14842	29.8
189.12738	7.0
189.16402	8.9
191.07014	3.1
195.11662	2.9
197.13319	4.2
199.11209	2.7
199.14799	19.9
200.15408	2.7
201.16379	57.5
202.17101	2.9
203.14313	3.5
209.13185	6.3
213.12799	4.1
213.16441	7.1
223.14857	4.0
225.16368	6.8
227.14346	7.6
227.17880	16.2
241.15887	3.6
255.21082	63.2
259.09814	4.5
265.19556	18.4
267.09686	2.4
283.20566	100.0
301.21533	7.7
309.05966	2.3
375.25348	83.9
392.36246	2.4
422.28384	2.2
445.31403	2.7
459.23874	7.2
551.29230	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	551.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25049	2.7
53.03952	16.5
55.01863	11.4
55.05511	15.6
57.03432	8.1
61.02922	6.8
65.03951	3.5
67.05500	23.3
68.99783	4.0
69.03434	40.0
69.07053	13.0
69.31366	34.2
69.69308	3.0
71.04988	10.6
73.02917	7.7
74.06052	3.1
76.93459	3.0
79.05479	14.3
81.03416	45.2
81.07067	26.7
83.04978	3.5
83.08634	7.6
85.02906	76.0
85.06522	3.5
87.00838	34.8
88.58691	3.0
91.03896	3.1
91.05474	11.5
93.07036	25.2
95.04978	31.7
95.08051	4.8
95.08611	52.8
97.02892	46.7
97.06523	11.0
97.10163	4.8
98.20783	6.3
99.04452	14.8
105.01872	29.8
105.07045	28.4
107.04946	4.0
107.08606	33.6
109.02880	53.3
109.06502	4.5
109.10156	31.3
111.04461	3.4
111.08079	4.5
113.06007	6.5
117.01833	3.5
117.07059	5.0
119.07787	4.9
119.08590	50.8
121.10151	35.3
123.08057	6.3
123.11710	11.2
127.03922	79.1
129.01860	4.0
131.08551	10.1
133.10132	47.6
135.08034	7.6
135.11702	21.1
137.09666	4.9
143.08553	6.1
145.04938	25.8
145.10115	20.5
147.02878	3.7
147.08105	3.8
147.11676	33.3
149.13248	12.6
151.11195	3.3
155.08511	4.7
157.10153	9.7
159.02907	25.5
159.11671	24.6
161.09570	3.5
161.13239	30.7
163.14825	12.2
171.11674	9.5
172.12556	2.8
173.13271	20.1
175.11131	5.4
175.14819	19.1
183.11743	4.3
185.13284	7.2
187.14813	22.4
189.12843	6.0
189.16359	26.2
191.17947	5.5
193.08723	5.1
197.13271	4.0
199.14919	6.7
201.16342	15.6
203.17938	34.4
207.13821	17.2
211.14810	5.3
213.03897	6.0
213.16313	3.7
215.14383	4.8
215.17963	5.6
219.13850	4.1
221.15430	4.7
225.16414	3.3
229.19507	4.3
231.05005	12.8
233.15385	11.8
241.19528	6.2
243.21143	13.8
247.17044	5.5
257.18878	4.2
257.19928	4.6
257.22629	46.3
261.18478	5.5
267.20972	7.1
271.20514	4.0
281.22522	3.6
285.22171	32.9
289.21585	5.4
301.21719	7.3
303.23199	100.0
327.23260	3.8
343.10172	4.3
365.24881	3.4
393.24298	6.1
497.25543	3.7
505.28009	3.9
515.26385	7.9
533.27374	13.9
551.28650	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	551.2253
Annotation	Lappaol B
Peak:m/z	Relative Intensity
51.58962	0.9
52.37196	0.8
60.71010	0.8
69.40585	8.5
73.02905	0.8
81.03400	1.1
81.07063	1.8
82.03308	0.9
85.02878	2.6
86.09711	2.1
91.05488	1.6
93.07077	1.5
95.05000	1.3
95.08561	1.6
97.02895	2.1
103.05411	1.1
105.07027	1.2
107.08607	1.8
109.02926	1.9
109.10166	1.3
119.08588	2.3
120.08071	1.1
121.10153	0.9
127.03902	5.1
131.04939	1.3
133.10141	1.0
137.05989	3.6
145.02863	3.1
147.11665	1.5
151.07558	1.2
152.08409	1.0
167.07051	3.5
175.64914	1.0
177.05467	5.7
203.05879	1.7
221.07056	1.7
239.67941	0.9
389.16568	1.9
407.17395	3.2
415.84137	0.9
431.17392	1.6
533.20264	1.1
551.22589	100.0
552.22791	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2253
Annotation	Mortonol B
Peak:m/z	Relative Intensity
67.05494	1.0
70.85492	2.6
81.03458	1.0
81.07041	1.2
83.04959	0.8
85.02941	1.9
93.07033	1.7
95.04945	0.9
95.08611	1.8
95.54652	0.8
97.02916	1.1
105.07046	1.7
107.08605	1.5
117.07066	0.9
119.08601	1.7
121.10141	1.1
127.03944	1.8
167.07010	2.3
177.05492	1.7
203.05998	1.1
266.98712	0.9
296.83902	0.8
329.10147	1.2
361.39941	0.8
379.68097	0.9
389.17297	2.8
391.14713	0.8
407.17603	1.2
551.22571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20611	0.9
52.82668	0.7
53.03944	1.8
55.01859	3.1
57.46061	0.8
61.99167	0.9
69.03420	3.6
69.63766	3.4
69.64195	3.3
70.06600	1.3
77.03928	0.8
79.05502	7.9
81.03416	2.0
85.02901	3.9
87.04478	1.2
89.03931	1.8
89.57024	0.8
90.04697	1.0
91.05482	4.8
95.04955	3.4
97.02899	2.4
97.47432	1.0
98.21474	1.6
103.05477	17.1
105.07032	68.6
107.04958	2.2
107.08585	0.9
109.02892	1.2
111.04432	1.2
115.05461	13.9
117.03388	2.5
118.04166	9.2
119.04940	2.4
120.08192	1.0
127.03928	15.3
130.06516	1.9
131.04947	11.5
132.05673	1.6
133.02841	2.0
133.06496	58.2
135.08015	1.2
137.05951	3.7
143.05014	1.0
143.06062	4.0
145.02818	4.9
145.04967	1.1
145.06566	1.2
147.04414	3.7
148.05200	5.3
149.05933	1.7
153.55276	0.9
161.05984	100.0
163.07549	12.6
167.07045	2.4
173.05960	1.0
175.07474	0.9
176.04672	1.7
177.05493	12.0
179.07001	2.1
191.07033	71.4
193.08614	48.4
209.08138	4.1
287.05499	23.6
296.73465	1.0
335.21851	1.2
417.37488	1.0
419.09470	4.5
425.10739	3.0
515.16742	1.1
551.17407	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
57.48900	0.4
61.48005	0.5
63.02390	0.5
64.17566	0.4
67.01868	1.0
69.03420	2.1
69.38925	2.9
69.39349	1.8
81.02967	0.7
81.03416	4.8
85.02908	1.8
87.00842	0.7
89.03916	5.5
97.02895	4.9
99.04463	1.5
109.02886	9.2
117.03380	18.4
119.94129	0.5
125.02354	0.5
127.03918	69.3
128.04286	0.5
134.03638	1.7
135.04422	1.2
135.29095	0.5
145.02846	42.9
149.05997	5.7
162.03157	0.6
163.03894	1.1
177.05470	100.0
178.05806	1.6
186.05540	0.7
195.06517	7.9
241.08574	0.8
259.78934	0.5
281.01538	0.6
285.07571	1.2
303.08551	0.5
318.56226	0.5
321.09753	3.6
346.20822	0.4
365.08578	0.7
407.09509	2.3
425.10800	35.9
426.10922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03722	0.2
53.03946	1.3
57.03438	0.3
63.02375	0.4
67.01873	1.1
69.03432	3.9
69.07082	0.3
71.01363	0.3
71.05003	0.7
71.56827	0.3
71.57190	0.3
74.75320	0.2
78.04726	0.2
79.05505	0.3
81.03419	5.7
81.07052	1.0
85.02910	2.4
87.00833	0.5
89.03918	5.9
91.05470	0.7
93.07037	0.3
95.08627	0.6
96.45231	0.2
97.02278	0.3
97.02895	6.0
99.04461	1.7
103.05435	0.3
104.74928	0.2
106.04163	0.2
109.02128	0.2
109.02883	8.2
117.03382	19.0
121.06496	0.3
127.03918	69.7
128.04222	0.4
131.04956	0.3
134.03642	1.1
135.04433	1.8
137.05949	0.6
137.13235	0.4
145.02847	53.1
146.03160	0.5
147.04395	0.3
149.05986	7.4
162.03111	0.3
163.03897	1.4
167.07013	0.6
177.05470	100.0
178.05783	1.1
186.05525	1.9
189.05443	0.2
195.06534	5.5
203.07108	0.3
213.03970	0.4
221.04428	0.3
241.08546	0.7
261.07523	0.3
271.56802	0.3
285.07376	0.6
303.08334	0.3
321.09677	2.8
339.10477	0.3
365.08582	0.4
407.09705	1.6
425.10809	25.0
426.10986	0.3
551.23401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14230	0.3
53.03939	0.7
55.01862	1.4
56.96580	0.4
57.03428	0.3
63.02351	0.4
67.01870	5.2
67.05494	0.6
68.99794	2.5
69.03437	2.9
70.06590	1.0
71.04986	0.5
71.11461	0.4
71.11772	0.5
73.02905	0.6
73.95796	0.4
79.05489	1.0
81.03419	3.8
81.07059	0.8
83.01331	0.7
83.04965	0.3
85.02905	5.5
85.06523	0.4
86.09689	0.8
87.00835	1.7
89.03917	1.6
91.05476	1.2
93.07040	1.1
95.04987	0.6
95.08567	0.9
97.02898	3.2
99.04463	1.1
100.11256	0.3
102.75780	0.4
103.05463	0.7
105.01862	1.5
105.07001	0.6
107.04936	0.5
107.08580	0.5
109.02876	3.2
109.10157	0.4
111.00789	0.6
111.04458	1.0
117.01819	0.4
117.02604	0.5
117.03373	5.6
117.07080	0.3
119.04895	0.9
119.08590	0.5
120.08078	0.3
120.54491	0.3
121.06495	0.4
121.10128	0.7
123.04402	0.9
125.02348	0.6
125.09605	0.4
127.03917	9.8
129.01836	1.5
130.88220	0.3
131.04919	0.7
131.08519	0.5
133.02870	0.4
134.03636	0.4
135.04414	1.6
137.05984	4.6
138.09108	0.4
145.02838	17.4
145.04939	1.5
145.10101	0.8
147.04373	0.5
149.05948	2.3
150.81401	0.3
151.03946	1.9
151.07567	4.7
151.11116	0.3
153.01825	81.9
154.02179	0.7
159.02882	1.8
161.05933	0.4
162.03145	0.4
163.03891	7.3
163.07536	0.6
167.07007	2.1
171.02885	51.8
172.03197	0.4
175.07498	0.6
177.05470	26.8
179.03380	7.6
181.04938	0.5
186.05484	1.0
191.07076	0.5
195.02948	1.5
195.06502	0.4
217.05014	0.6
219.06514	0.6
227.12769	0.4
231.05020	0.5
237.02811	0.5
261.03986	0.5
261.07718	0.6
285.07678	1.0
303.08624	100.0
304.08936	1.7
327.08707	0.6
339.13364	1.1
355.12833	0.4
367.12585	0.4
401.07147	1.3
425.10864	1.7
520.20734	2.4
551.24475	2.4
551.46472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1035
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03940	1.3
55.01871	1.4
57.03437	1.0
61.02922	0.9
63.74056	0.2
68.99480	0.2
68.99783	1.1
69.03430	6.1
70.02825	1.1
71.04984	0.8
73.02916	1.3
79.05524	0.2
81.03423	7.3
85.02908	10.9
85.06567	0.2
87.00830	4.4
91.03942	0.5
91.05418	0.2
93.03426	0.3
95.04952	0.3
95.08612	0.2
97.02895	4.0
98.21490	0.2
99.04449	2.5
105.01882	3.4
105.07012	0.2
109.02884	6.2
111.00799	1.0
117.01853	0.7
121.02860	0.8
127.03919	9.3
129.01846	0.9
135.04466	0.2
137.02336	2.6
137.05997	0.8
145.04977	2.5
147.02925	0.5
147.04384	0.3
147.11575	0.3
149.02393	0.3
153.01830	3.0
159.02901	4.2
161.05978	0.5
163.03928	0.6
165.01836	1.3
167.07054	0.3
170.94756	0.2
173.06013	0.4
174.39865	0.2
175.07617	0.2
177.05453	0.3
179.03430	0.2
183.02919	0.6
183.04422	0.3
195.22679	0.2
198.18092	0.2
201.05492	1.8
209.24606	0.2
213.03841	0.3
222.57547	0.2
229.04956	3.3
231.05029	1.3
247.05998	0.6
257.04456	2.1
274.04755	0.6
275.05478	0.2
285.04041	1.0
287.05716	0.2
303.04999	100.0
304.05344	0.7
345.05713	0.2
509.43207	0.2
523.63855	0.2
525.95740	0.2
550.39594	0.3
551.21259	1.0
565.11853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98841	4.4
53.03949	4.8
55.01870	6.9
55.05503	16.7
56.96568	4.1
57.03432	16.0
57.07069	5.0
63.49153	4.5
67.05505	27.5
69.03428	56.5
69.07059	19.4
70.06583	4.8
71.04954	6.2
71.59583	4.2
71.60087	8.1
73.02909	4.6
74.41239	3.9
79.05486	21.0
81.03419	9.1
81.07060	61.5
83.04975	5.6
83.08626	4.0
84.04503	15.7
85.02916	39.7
85.06513	4.5
87.04472	34.0
91.05481	35.0
93.07033	34.2
95.04967	14.7
95.08615	60.7
97.02899	61.4
97.06525	15.5
97.86654	4.0
99.04485	10.5
103.05436	4.9
105.07034	54.1
107.08607	60.3
109.02893	11.8
109.06553	7.5
109.10162	45.0
111.08088	4.3
115.03928	56.5
117.03375	7.2
119.08585	46.2
121.06490	4.5
121.10146	33.8
123.11715	17.0
127.03094	7.5
127.03914	36.0
131.08527	7.6
133.04971	61.7
133.10147	33.2
135.11684	20.1
137.05956	17.1
145.02850	17.6
145.04944	13.0
145.10133	10.9
147.11711	38.4
149.05989	5.6
149.13274	5.8
151.03906	5.0
159.11641	8.2
161.13271	14.6
163.03914	6.6
163.14828	10.1
167.07007	10.7
171.11714	6.5
173.02327	5.2
173.13229	5.1
175.07666	5.3
175.14868	10.8
177.05469	52.5
187.14886	4.9
189.16360	7.2
191.00267	18.7
198.94293	4.5
199.03023	4.3
201.16353	6.1
203.17966	100.0
204.93933	4.8
213.16217	6.8
221.19040	12.5
227.12585	5.4
249.18521	5.1
335.04318	10.3
335.22073	5.9
353.05676	22.9
425.10825	6.9
474.94620	5.5
550.26569	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	550.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67971	0.6
56.82972	0.6
56.96584	1.1
61.02916	0.9
69.03429	2.4
70.19207	2.4
73.06544	0.9
73.17663	0.6
76.07645	0.8
81.03444	0.9
83.05002	1.0
84.08143	0.6
85.02901	5.0
86.09730	0.7
87.04472	4.7
89.06038	100.0
91.05512	2.3
95.04984	0.9
96.78192	0.7
97.02917	2.4
107.07070	4.4
111.04425	0.8
117.09079	0.6
119.04974	3.1
127.03941	1.1
130.08655	1.2
131.07047	1.5
133.08615	56.4
137.96127	0.6
145.02885	1.1
147.04404	6.2
148.04848	0.8
177.05560	1.8
177.11240	24.5
195.12230	1.1
207.13786	0.9
208.14148	0.7
221.13847	4.5
232.74193	0.8
239.14908	2.4
283.17468	5.8
327.08783	0.7
327.20206	5.2
353.21881	1.1
371.22800	85.2
550.19995	0.7
550.30389	2.5
571.41211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.05035	0.4
56.96560	0.1
57.03434	0.1
58.06621	0.6
59.07378	0.2
60.08164	6.3
67.05494	0.4
69.07045	0.2
70.06593	0.1
71.07370	2.5
71.08631	0.2
71.59821	0.2
72.08139	0.1
79.05483	0.3
80.95068	0.1
81.03388	0.1
81.07050	0.4
83.08614	0.2
85.02888	0.2
86.09705	29.7
91.05471	0.3
93.07069	0.2
95.04929	0.1
95.08589	0.2
98.98464	2.5
99.08098	0.2
99.21943	0.1
104.10741	4.3
107.08593	0.2
109.10146	0.4
119.08522	0.2
121.37141	0.1
121.97109	0.1
125.00002	19.9
127.03942	0.2
133.10095	0.1
137.41374	0.1
143.01054	0.5
184.07336	100.0
185.07718	0.2
237.36412	0.1
258.11127	0.2
293.21179	0.3
422.56332	0.1
447.27261	0.1
532.30383	1.2
550.31445	10.1
551.31256	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.03431	2.0
61.02904	0.9
67.05486	0.7
69.03438	8.8
73.06562	9.8
81.03374	1.1
84.04494	1.9
85.02906	17.0
85.04024	1.3
87.04454	4.8
89.06034	0.7
91.05463	1.5
93.07051	2.2
95.04939	0.8
96.02197	0.6
97.02894	9.6
98.97591	1.5
103.05487	5.8
104.72831	0.8
107.04955	1.1
108.04513	0.8
109.02931	0.7
109.97698	0.6
112.02185	1.0
115.03935	13.1
120.08109	100.0
121.08511	0.9
126.05681	0.7
127.03924	5.1
130.05013	1.9
131.04889	1.4
131.99393	1.1
133.04973	11.8
136.03966	1.3
140.01642	2.4
142.03271	1.9
145.04955	10.2
147.04430	2.6
149.05997	1.5
150.07784	0.6
153.12796	0.7
163.06026	3.9
166.08640	40.2
169.04303	0.7
177.03345	5.2
185.03833	1.9
187.09833	0.8
217.10780	1.1
223.11829	1.9
231.04283	4.0
235.02370	0.8
243.04446	1.4
253.12868	8.9
259.08142	1.1
295.10361	0.8
325.07343	0.9
410.97778	0.7
421.08493	2.8
423.11942	1.0
475.09216	1.1
533.38983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26755	0.5
53.03938	1.9
67.01856	1.4
67.05493	1.0
69.03433	3.7
69.07063	1.2
69.63078	1.7
69.63500	2.3
71.04972	1.2
74.03948	0.5
79.05482	1.4
81.03426	4.5
81.07047	2.2
85.02895	3.2
86.09695	0.6
87.00816	0.6
87.74716	0.5
89.03919	3.7
91.05470	1.4
93.07027	1.3
95.04975	0.6
95.08604	2.4
97.02896	7.2
99.04452	1.9
104.10731	0.5
105.07028	2.4
107.04942	1.8
107.08595	1.9
109.02888	7.6
109.10157	1.0
109.50258	0.6
117.03373	6.0
119.08586	0.8
121.10167	0.8
123.11726	0.6
127.03918	8.2
127.05398	0.5
127.37489	0.5
127.38435	0.6
133.10118	0.9
135.04422	14.9
135.11661	1.0
145.02864	11.2
145.04816	0.5
147.11700	1.1
155.79744	0.5
163.03908	100.0
164.04362	0.8
167.10709	0.5
177.05478	1.2
181.04929	4.8
184.07317	0.8
203.18033	0.9
219.11043	0.5
283.26419	0.7
307.08130	1.6
411.09241	28.4
532.19653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60552	0.6
52.76582	0.6
53.03947	1.9
55.05522	1.1
63.26203	0.8
65.03926	1.0
67.05499	1.9
69.03419	1.8
69.07061	1.4
69.53196	6.0
71.04971	0.8
79.05486	2.2
81.03416	4.2
81.07059	20.5
85.02895	2.7
91.05485	8.4
93.07060	0.9
95.04968	1.1
95.08628	3.3
97.02896	6.0
99.04453	1.5
105.07041	0.8
107.08614	0.9
109.02887	8.4
109.10185	1.5
112.19188	0.6
116.39207	0.7
119.04947	21.3
119.08569	1.2
127.03923	7.8
131.08563	1.1
134.23645	0.6
137.13255	7.5
140.10158	0.6
145.05003	0.7
147.04410	100.0
159.11736	0.9
163.03889	0.9
165.05476	5.7
165.09068	3.2
204.10158	1.7
213.03819	1.1
255.20927	0.8
291.08453	1.7
395.09744	19.6
549.26996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	33.6
64.96432	7.5
67.05505	97.4
67.57509	6.7
69.07067	29.0
71.04980	11.3
71.58794	7.0
75.78175	5.9
79.05482	39.8
81.07060	99.0
83.08625	30.3
84.88013	7.7
87.02676	6.2
91.05482	43.2
93.07049	44.2
95.04977	8.6
95.08607	100.0
97.06508	13.3
97.10177	21.7
99.56331	6.4
105.07028	19.0
107.08607	42.7
109.10152	34.0
111.08047	10.6
117.06996	8.8
119.08596	21.7
121.10168	37.4
123.11711	22.6
131.08583	17.6
133.10121	30.6
135.11713	18.3
145.10202	17.0
147.11710	16.2
149.13219	10.7
151.11143	5.9
153.51999	6.5
159.11673	7.2
159.86832	6.2
167.71490	6.1
173.13281	8.8
215.18013	23.1
233.18968	17.0
251.20111	24.1
396.01059	6.3
495.41711	8.4
500.60214	6.8
513.42914	25.8
549.24872	28.3
549.41382	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	549.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91561	1.7
55.05510	3.1
64.59555	1.5
67.05498	2.5
69.03422	2.3
71.10528	4.1
79.05495	2.7
81.03407	3.0
81.07060	4.6
81.88189	1.9
83.04961	2.5
83.08604	2.1
85.02904	6.0
87.00819	1.8
91.05473	5.2
93.07062	4.4
95.04942	2.6
95.08561	3.1
97.02904	4.8
97.06501	1.8
100.07632	1.7
100.11251	5.5
100.79623	1.8
101.11517	1.6
105.07019	3.3
109.02871	2.7
109.10156	2.5
111.53227	1.5
119.08579	2.4
121.10164	2.2
127.03915	5.2
131.04913	3.0
135.11705	2.9
137.05980	8.7
147.04405	3.5
161.06017	2.4
163.03947	5.9
163.07605	1.8
167.07022	6.3
175.07515	4.1
177.05568	2.5
181.08621	5.9
182.08916	4.3
182.15363	2.3
187.07576	2.6
199.07507	2.0
227.09109	1.7
231.04889	1.7
242.80724	1.7
263.36856	1.7
265.08585	1.8
301.27094	1.6
329.10114	2.7
338.21725	1.8
369.16083	2.4
549.20929	100.0
549.40161	3.2
555.65332	1.7
564.24622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28537	0.8
71.28862	1.4
103.05472	1.8
131.04916	2.6
137.05951	4.8
142.37093	0.9
147.04434	1.2
151.03896	1.8
153.05469	0.8
163.03961	0.9
163.07591	1.6
167.07065	1.8
191.07069	2.5
203.03345	0.8
221.06857	0.8
264.49536	0.7
329.10037	4.0
329.13461	0.8
351.12323	0.8
351.58258	0.7
387.15570	7.6
426.12915	1.5
517.18536	7.9
549.20953	100.0
550.21399	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	549.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01863	1.0
55.05492	0.3
57.03417	0.5
57.07083	0.4
61.02890	0.6
67.05476	0.6
69.03429	1.7
69.07061	1.0
71.60677	0.5
73.70463	0.4
78.04720	0.4
79.05503	1.5
81.03420	0.9
81.07069	2.9
83.04967	0.4
85.02916	2.9
91.05473	1.9
92.40575	0.3
93.07043	1.1
95.04971	1.4
95.08622	1.6
97.02891	1.5
97.06496	0.4
99.04482	0.5
103.05455	1.0
105.07027	1.5
107.04970	1.7
107.08618	0.8
108.49174	0.3
109.06509	0.5
109.10164	0.5
115.05440	0.6
117.07033	0.8
119.04940	0.3
119.08517	0.5
121.06522	0.5
121.10130	0.6
123.04428	1.5
124.05207	0.6
127.03926	1.1
128.06207	0.3
129.07011	1.4
130.04143	0.4
131.04936	2.2
133.02756	0.4
133.06493	0.9
133.10139	0.8
134.03612	0.4
137.05998	3.0
137.13234	1.1
143.04948	0.4
144.05786	0.4
145.02811	0.4
145.06487	1.0
145.10202	0.5
147.04410	0.9
147.08179	0.4
149.06006	0.8
151.03860	0.5
152.04671	0.4
153.01872	0.4
153.05475	0.6
155.04951	0.6
157.06490	1.0
159.08101	0.4
160.05144	0.6
161.06010	2.0
162.06795	0.4
163.03865	0.5
163.07573	0.9
167.07053	12.6
171.04523	0.4
172.05130	0.4
173.06003	1.4
173.09673	0.4
175.07568	1.4
177.05472	1.0
178.07800	0.6
185.06039	0.7
187.07593	1.2
189.09032	0.5
190.07994	0.3
191.07033	3.6
191.08563	0.7
192.07791	0.4
193.08595	2.3
195.06546	1.1
199.07509	0.5
201.98619	0.3
202.07727	0.6
203.07036	1.0
203.08667	0.7
205.06531	0.7
206.07275	0.5
207.08191	0.5
215.07019	1.1
217.06541	0.5
217.08589	3.4
218.07364	0.7
219.08063	1.6
219.17436	0.7
220.20680	0.3
221.06093	0.5
221.09688	0.6
231.08080	1.3
232.08849	0.5
233.05980	0.7
234.06711	1.1
235.07576	0.5
236.08401	0.6
237.09288	0.3
246.06828	0.9
247.07591	1.9
248.08313	1.2
249.09184	0.8
251.07098	0.8
258.05209	12.1
259.05307	0.4
259.07568	1.0
261.05536	0.6
261.09161	0.5
262.06445	0.5
263.06961	1.0
263.43320	0.3
264.07803	0.9
265.08624	0.5
267.10260	0.3
273.05487	0.5
274.06262	0.5
275.07068	0.8
276.07666	1.5
277.08578	1.4
278.09308	0.8
279.10233	1.3
286.04727	35.4
287.07321	0.7
288.08005	0.3
289.08551	1.3
290.09372	0.4
291.06830	0.5
291.10172	1.8
292.07321	0.6
293.07977	1.1
294.09030	0.4
295.09540	0.7
301.07074	100.0
302.07397	2.6
304.07281	0.4
305.08109	2.9
306.08932	0.8
307.09692	2.0
308.10294	0.4
309.07599	0.5
309.11166	0.6
319.09750	3.5
321.07642	0.7
321.11200	1.9
323.08966	0.4
324.09955	0.5
325.10724	0.6
327.12268	1.0
336.10083	0.4
337.10660	5.2
339.12347	3.3
351.12277	6.3
353.13766	1.5
357.13358	5.1
369.13309	6.9
383.08527	0.3
387.14542	3.2
445.20572	1.7
463.12335	2.1
478.15778	0.5
517.18414	0.4
531.11151	0.4
549.12585	4.2
549.24817	3.1
549.33722	0.6
565.53967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1245
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
63.17296	0.2
67.05505	0.4
69.03426	0.5
69.07071	0.2
70.06583	0.2
71.59151	0.2
71.59557	0.2
73.02908	0.2
73.28288	0.2
79.05504	0.4
79.70181	0.2
81.03428	0.4
81.07067	0.4
83.24451	0.2
85.02909	0.5
88.94452	0.2
89.80962	0.2
91.05523	0.4
93.07055	0.2
95.08612	0.2
97.02909	0.5
97.06619	0.2
102.87814	0.1
103.05471	0.2
105.07066	0.4
107.04942	0.2
107.08631	0.2
109.02975	0.3
119.08582	0.3
121.06498	0.2
122.03623	0.2
127.03933	0.5
128.06230	0.2
131.04935	0.4
133.10141	0.2
137.05983	2.2
143.05182	0.1
145.06445	0.3
147.04337	0.2
149.05972	0.2
151.03918	0.2
153.01833	0.5
161.05995	0.4
161.13313	0.2
167.07062	1.7
171.03011	0.2
175.07666	0.2
177.05533	0.2
181.05017	0.4
182.07281	0.2
191.07053	0.3
217.08659	0.2
229.04942	0.3
247.07481	0.2
258.05249	11.3
267.07623	0.2
268.07898	0.2
281.67020	0.2
286.04730	34.4
287.05209	0.2
301.07071	100.0
302.07428	0.6
307.09821	0.2
321.11029	0.2
337.10626	0.3
339.12415	0.3
351.12302	0.2
357.13431	0.3
369.13370	0.4
387.14221	0.3
399.12256	0.2
400.12146	0.3
463.12393	2.1
505.13589	0.4
531.11224	0.4
548.34729	0.3
549.12164	4.5
549.20386	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13102	0.9
55.05497	1.9
56.05026	1.7
58.06607	1.6
60.07875	1.5
60.08162	17.3
67.05499	4.2
69.07067	2.0
71.07367	7.9
71.28212	1.5
71.28571	1.2
75.68484	0.8
77.82517	1.0
79.05477	1.4
81.07043	4.0
83.08606	1.3
86.09699	52.2
91.05472	1.1
93.07053	1.5
95.08587	3.0
98.98481	3.7
104.10740	100.0
107.08581	1.5
109.10207	1.3
115.64362	0.9
117.07015	1.0
121.10159	2.2
125.00002	30.0
125.00883	1.9
148.80463	0.9
178.87468	0.8
184.07336	93.7
217.51709	0.9
240.66040	0.9
253.31773	1.0
287.87933	1.0
334.46884	0.9
485.01532	1.0
530.35974	9.0
548.37189	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.4
55.01853	11.7
55.05516	22.0
57.03423	13.7
61.02916	3.5
61.26533	3.1
67.05508	58.2
69.03416	13.7
69.07072	25.1
71.04996	28.1
71.45803	3.0
71.59058	4.8
71.59454	4.9
72.31936	3.3
79.05497	36.6
81.03410	25.7
81.07059	52.4
82.07410	4.3
83.04971	9.0
83.08605	11.7
84.96780	3.4
85.02898	11.8
85.06539	5.3
86.09698	13.4
91.05474	38.9
92.00873	3.4
93.07044	60.4
95.04974	12.3
95.08605	45.4
96.08929	5.1
96.53159	3.1
97.02892	13.1
97.06529	16.9
97.10179	4.0
99.04420	6.3
101.86936	3.9
105.07030	48.5
107.08592	54.8
109.02880	33.0
109.06506	7.7
109.10155	43.9
110.03215	10.2
110.10525	7.5
111.04440	11.8
111.08105	4.2
117.06997	4.9
119.08578	41.3
120.08909	9.7
121.06522	6.1
121.10172	30.3
122.10474	4.2
123.08046	10.4
123.11714	9.6
125.00020	9.1
125.09621	8.7
127.03921	58.9
128.04239	11.6
129.07014	8.0
131.08582	17.5
133.06490	10.9
133.10132	38.9
134.10428	5.6
135.08040	14.0
135.11685	21.9
143.08571	8.0
145.04948	5.8
145.10110	15.5
147.08049	9.9
147.11725	24.2
149.09645	6.4
149.13254	12.5
157.10109	7.7
159.11716	17.0
161.06010	5.2
161.09605	11.8
161.13239	13.0
162.09976	7.0
163.03908	4.4
163.11168	5.5
163.14787	5.5
164.11618	4.3
165.09082	9.4
166.09482	7.6
171.11734	9.6
173.13271	11.8
175.14815	4.9
179.10698	8.8
179.68423	4.7
180.10925	5.1
182.77139	3.4
184.07338	50.9
185.13202	5.6
187.14870	4.3
189.05473	7.1
189.09131	4.2
189.11186	4.8
189.12781	3.7
190.58360	3.6
199.14861	5.5
201.16219	4.1
207.10202	7.1
208.10434	7.1
215.09213	6.6
217.04921	15.4
217.12106	4.5
225.11235	14.8
226.11655	7.4
229.14354	16.4
240.97949	3.5
241.19504	8.1
259.20551	27.2
277.21539	35.1
315.19586	7.6
316.19965	21.4
333.24033	6.9
338.99820	4.5
351.25253	100.0
352.14911	4.1
369.26416	6.2
393.44318	4.0
442.23108	8.8
449.61218	3.8
460.23721	4.0
530.28003	4.4
548.34180	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.05509	11.9
56.96564	3.8
57.03437	16.0
57.59752	2.1
61.02919	5.7
67.05502	33.8
69.03410	4.3
69.07079	12.4
70.33891	2.2
71.04982	5.9
71.59038	4.1
79.05492	33.6
81.03399	7.1
81.07059	43.0
83.04974	5.7
83.08607	8.6
85.02892	5.1
87.46008	2.3
91.03941	3.7
91.05476	32.2
93.07040	47.3
95.04948	7.3
95.08603	35.7
97.02882	4.8
97.06532	3.2
101.16457	2.4
105.07030	24.8
107.04979	3.3
107.07956	3.8
107.08598	35.6
109.02890	2.7
109.06537	6.2
109.10155	21.7
111.08042	2.8
117.06996	11.1
119.08578	25.3
121.10138	27.2
123.08081	3.2
123.11736	3.0
127.03912	6.5
129.07037	3.3
131.08586	18.8
133.10126	22.1
135.11702	21.4
137.09587	3.1
143.08531	5.2
145.10130	13.9
147.11678	19.8
149.09583	2.4
149.13229	11.2
151.11125	2.6
157.10170	4.3
159.11702	13.3
161.13283	11.6
163.03903	5.3
163.11136	4.0
165.12660	3.1
168.52109	2.6
170.56038	2.3
171.11684	5.3
173.11899	2.3
173.13266	8.8
175.11218	3.3
175.14830	3.6
177.12724	4.1
185.13283	5.7
187.14861	9.6
199.14807	5.0
201.16382	7.3
205.15953	4.9
215.06900	2.9
219.17477	3.4
225.54982	2.7
231.20953	2.9
241.19586	12.0
259.20496	32.0
269.17517	6.8
277.21707	24.0
293.21466	2.4
333.24103	4.3
351.25330	100.0
369.26483	3.0
495.29642	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	548.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24309	0.1
57.03436	0.2
60.04530	0.2
61.01152	4.6
64.63432	0.1
69.03424	0.6
69.95375	0.8
70.06598	0.5
71.05013	0.2
72.08152	0.2
75.02713	2.2
81.07041	0.3
84.08149	0.2
85.02897	0.4
86.09692	0.6
97.02894	1.8
98.21442	0.2
103.02166	0.5
115.03938	0.3
119.03582	0.3
127.03906	0.3
133.04933	0.2
135.11690	0.2
136.06189	100.0
137.04570	0.4
137.06516	0.3
145.03165	1.9
145.05046	0.2
147.04393	0.4
153.12740	0.4
163.04239	1.5
167.70877	0.1
177.05481	0.9
278.32361	0.2
298.09686	36.7
299.09915	0.3
478.06424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.05504	2.4
57.07065	4.7
67.05503	15.2
69.07067	16.1
70.06581	2.0
70.38064	4.4
71.08625	1.4
79.05493	11.8
81.07058	100.0
81.24571	1.0
85.62746	1.0
86.09692	1.7
86.73857	1.1
93.07034	2.8
95.04954	1.2
95.08606	62.2
98.21436	1.1
107.04975	1.2
109.10160	5.0
117.03361	1.3
128.07059	1.8
135.04422	1.9
136.93108	5.0
137.13242	14.4
138.13620	1.5
147.04417	1.4
154.94154	13.1
163.03911	10.6
172.95230	50.7
190.96277	33.8
195.96791	2.5
210.71307	1.1
210.73573	1.0
211.72844	1.1
213.97887	2.3
234.90776	5.1
252.91846	33.1
270.92914	48.7
275.93402	3.4
288.94061	1.4
291.06671	12.5
293.94522	3.5
309.07745	6.7
355.72147	1.0
371.03320	70.4
389.04355	33.9
412.06046	7.3
466.32681	1.0
507.15851	41.2
525.16852	4.7
548.18372	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3944
Annotation	Allopurpurin
Peak:m/z	Relative Intensity
53.03939	3.4
55.05513	19.8
57.03427	2.2
57.07061	8.5
67.05181	2.6
67.05509	37.9
69.07069	20.0
69.29414	6.0
69.29820	19.9
70.83386	2.2
71.04984	3.6
79.05493	26.9
81.03433	13.6
81.07059	46.5
83.04990	6.3
83.08623	13.8
85.02932	4.4
91.05486	37.9
93.07050	31.0
95.04980	13.1
95.08614	28.0
97.06554	3.5
103.05441	2.5
105.07034	48.4
107.08605	33.5
109.06525	4.4
109.10159	19.3
110.81665	2.6
111.08077	4.2
115.05434	4.4
117.07014	9.3
119.08591	59.5
121.06513	3.6
121.10144	27.1
123.08047	2.5
123.11706	7.0
128.06206	8.7
129.06985	13.5
130.07806	3.7
131.08577	26.6
133.10129	47.1
135.08105	3.7
135.11702	14.0
137.09610	6.4
141.07043	5.5
142.07784	16.3
143.08566	29.7
144.09331	5.6
145.10121	38.1
147.11693	11.5
149.09648	3.6
149.13287	3.2
153.07048	3.7
155.08549	9.0
156.09308	13.8
157.10139	36.0
158.10909	7.6
159.11705	14.0
159.42070	2.2
161.13269	5.0
165.06970	4.6
166.07767	2.1
167.08582	7.4
168.09325	3.8
169.10121	19.0
170.10913	7.7
171.11707	20.1
173.13280	22.8
175.11195	3.2
175.14854	8.2
178.07649	2.7
179.08621	9.3
180.09264	3.2
181.10156	12.7
182.10916	8.7
183.11728	14.7
184.12428	3.6
185.13211	12.9
187.14845	9.1
192.09265	2.8
193.10141	8.9
193.12233	10.7
194.10963	8.5
195.11646	13.4
196.12418	6.7
197.13251	15.0
199.14841	18.4
201.16284	2.7
205.09991	3.3
205.11920	2.3
206.10896	6.0
207.11705	15.2
208.12477	4.8
209.11519	3.0
209.13210	14.9
211.13132	5.5
211.14859	10.1
217.10240	3.7
219.11745	4.2
219.17453	2.4
220.12413	5.6
221.13278	10.4
223.14850	7.4
225.16382	4.3
227.12779	4.4
231.11652	6.1
233.13217	7.9
234.13931	3.1
235.14732	6.9
237.16348	9.8
239.17984	3.3
244.12413	3.8
245.13263	5.5
246.14052	4.5
247.14694	4.1
248.15758	2.6
249.16351	3.7
251.17972	6.5
259.14832	4.8
261.16452	3.6
263.17969	6.9
265.19489	6.0
267.15790	5.7
269.13202	2.7
275.18008	5.4
277.19489	2.5
283.15378	2.4
283.20526	4.7
287.17856	3.1
299.17935	3.1
301.19629	2.6
317.22583	3.8
329.22559	2.9
337.27301	7.8
341.22580	4.1
529.39075	16.2
547.39404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
54.17707	0.4
55.05513	0.5
61.02914	0.3
67.05506	1.1
69.03419	1.6
69.07059	0.7
69.38169	1.6
69.38597	1.7
79.05499	0.6
81.03429	0.4
81.07053	0.5
83.04987	0.6
85.02903	1.8
91.05494	1.2
91.12356	0.3
93.07043	0.6
95.04957	1.4
95.08588	0.7
97.02899	1.6
97.06519	2.0
99.04489	0.5
105.07043	1.8
107.04915	0.3
107.08603	0.8
109.02859	1.0
109.10168	0.7
115.05465	0.6
119.08583	0.6
121.06498	0.4
122.03603	0.5
123.04462	0.4
127.03916	15.0
131.04918	0.5
131.08578	0.4
133.06531	0.8
133.10124	1.0
135.10765	0.4
135.11729	0.6
137.05972	5.3
138.06339	1.6
139.06488	0.5
145.06540	0.4
145.10136	0.5
147.04393	0.5
147.37889	0.3
151.03943	0.3
157.10220	0.4
161.05978	3.1
162.06355	1.4
163.03935	1.5
167.07088	0.5
173.02292	0.5
175.07541	0.7
177.05469	0.6
179.03352	0.4
186.41260	0.4
187.07549	0.7
189.09117	0.7
199.07610	1.0
200.07913	0.6
203.05252	4.9
203.08421	0.9
204.08871	0.6
205.09232	0.5
207.06448	0.4
212.08420	0.5
213.09138	0.6
215.07068	1.2
220.08865	0.4
225.09114	0.5
225.11203	0.4
231.08107	1.1
232.08549	0.8
233.08849	0.5
241.12260	1.3
248.08327	0.7
249.08733	0.9
259.07364	0.7
259.09726	2.5
260.08047	1.2
261.08414	1.0
262.09113	0.5
263.10663	0.6
264.10947	0.7
265.11612	0.6
269.11737	0.4
276.07782	0.8
277.08426	0.4
278.08707	0.5
283.13470	0.4
291.10172	3.0
292.10480	3.0
293.10800	2.9
309.14899	0.5
311.12793	2.2
323.12759	1.3
324.13037	1.6
325.13379	2.2
327.12314	0.4
355.15298	2.7
367.28189	15.0
385.29340	0.9
393.13031	0.4
421.15262	0.5
547.34528	100.0
548.34943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.05511	0.9
57.03426	2.0
61.02909	1.8
65.03956	1.1
67.05485	1.1
69.03432	7.9
69.65863	4.7
71.04972	0.9
73.02906	1.2
75.04485	1.0
79.05482	1.4
81.03401	4.8
81.07063	1.1
85.02423	1.2
85.02908	15.4
87.04441	1.7
91.05487	6.7
93.07059	1.1
95.04952	1.1
95.08628	0.9
97.02879	6.4
99.04485	1.0
103.05486	1.2
105.07021	5.5
107.04958	2.7
107.08559	1.2
109.02892	2.1
109.06513	1.4
109.10131	1.1
115.05455	3.7
116.06258	1.3
117.07013	2.1
119.08562	4.7
121.06493	1.7
121.10148	1.0
123.04439	1.3
127.03922	7.7
128.06248	3.3
129.07011	6.0
131.04906	2.7
131.08508	0.9
132.05707	3.7
133.06448	5.2
133.10068	1.3
136.05211	3.6
137.05968	5.0
138.06795	1.7
141.06952	1.8
144.05722	1.0
145.04929	2.1
145.06503	2.3
147.04414	3.5
147.08002	4.6
148.05176	9.9
149.05959	1.3
151.03925	2.5
151.07521	1.4
154.06165	1.4
156.05638	1.2
159.08081	6.9
160.05228	2.9
161.05957	9.3
162.06635	1.1
163.07483	1.0
165.05495	1.3
166.06256	19.3
167.07005	2.7
168.05743	1.0
169.06468	2.2
169.08649	1.2
171.08064	0.9
172.05191	1.3
175.07545	47.4
176.08333	5.4
177.05611	0.8
177.09164	1.6
181.08588	100.0
183.83269	0.8
184.05202	2.2
186.06839	1.2
187.07542	20.3
190.06227	3.2
191.06966	1.3
192.07806	2.0
192.36740	0.9
193.08601	1.1
199.07533	14.9
201.09074	4.1
205.06740	0.7
205.08578	16.1
205.10307	1.5
206.09152	0.9
207.10133	17.3
215.06914	1.3
217.08612	1.6
219.08031	2.2
223.09769	0.9
231.08031	1.6
232.08786	1.7
233.09674	2.6
234.06441	1.0
235.07474	1.8
237.09244	1.1
246.06795	0.9
247.07533	1.2
248.08301	1.8
249.09119	3.7
250.09802	1.1
259.07388	1.6
260.08316	1.6
261.09076	4.7
262.09995	1.3
263.06964	1.1
263.10687	2.4
264.11456	1.6
265.08789	1.1
273.09097	2.2
274.09644	1.0
275.10687	1.1
276.11279	1.1
277.08618	4.6
277.12170	1.5
278.09418	1.7
281.11755	1.9
288.07819	1.0
289.08649	5.0
290.09433	1.1
291.10217	3.5
292.10944	2.9
293.11682	4.5
295.13333	3.5
297.11060	0.9
299.20111	1.0
303.10193	1.0
304.07614	1.0
304.10925	3.4
305.08200	2.1
305.11734	6.6
306.08951	1.8
307.13306	2.6
308.10468	1.7
309.11279	3.5
319.09650	1.1
320.10248	1.1
321.11194	11.4
323.12732	4.8
324.13464	5.0
325.10712	1.5
335.12753	6.7
336.13544	12.8
337.10593	2.3
339.15857	1.9
340.13016	13.2
352.13144	1.7
355.15399	29.5
367.15405	38.1
367.20081	1.8
369.16873	2.1
547.34204	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	546.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05509	4.2
56.05041	1.6
57.03437	1.8
58.06601	1.4
60.08165	17.9
60.08474	0.9
67.05505	9.7
68.05841	0.9
69.07069	3.5
70.64156	1.1
71.05006	0.9
71.07378	7.4
71.07748	0.6
79.05493	6.5
80.05804	0.7
81.03433	2.6
81.07056	9.4
82.07394	1.3
83.04995	0.7
83.08622	2.3
85.02914	1.0
86.09705	54.9
91.05482	4.0
92.05796	0.6
93.07031	6.2
94.07350	1.1
95.04968	2.2
95.08601	6.3
96.05332	0.6
96.08959	1.2
97.06533	0.6
97.10174	1.8
98.59451	0.6
98.98482	3.9
104.10744	100.0
105.07031	3.1
107.04976	1.1
107.08604	4.3
108.08918	0.7
109.06561	0.9
109.10162	2.9
110.10532	0.7
111.08089	0.8
117.07043	1.6
119.08585	2.9
120.08854	0.7
121.10171	3.1
121.10939	0.5
122.10461	0.9
123.08105	0.7
123.11729	0.9
125.00008	30.4
125.09618	1.2
129.07072	0.8
131.08635	2.4
132.08920	0.5
133.10120	2.2
135.08089	0.9
135.11670	1.4
143.01028	0.7
143.08611	0.6
145.10115	1.2
146.10417	0.9
147.11696	1.2
148.12027	0.6
149.09590	0.7
149.13292	0.6
157.10196	0.5
159.11682	1.2
161.13234	0.7
162.13635	0.5
163.01593	0.9
172.95250	1.8
184.07341	97.1
187.14906	0.7
190.96297	1.7
193.12259	1.0
194.12471	0.6
199.14828	0.5
227.12759	0.6
228.12975	0.6
228.97881	0.5
258.11160	0.6
261.22168	0.6
262.22351	0.6
267.15720	1.3
268.16037	0.7
286.22449	0.5
301.25281	0.6
302.25677	1.1
335.25830	0.7
336.26071	1.0
337.20474	0.8
405.29785	1.6
454.33643	1.4
472.34515	0.7
473.19635	2.4
528.34460	8.5
546.35364	39.1
547.22815	1.7
547.35474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01858	1.6
55.05511	4.4
57.03445	2.9
57.07062	1.8
59.04979	0.6
62.06079	0.8
62.90345	0.5
67.05499	7.7
69.03403	0.7
69.06732	0.5
69.07071	6.1
70.06594	0.8
70.53870	1.1
70.54221	0.8
71.04979	1.0
71.08633	4.0
73.02917	0.6
79.05489	4.6
81.03413	0.9
81.07051	11.1
83.04971	1.3
83.08632	2.4
85.06541	1.0
91.05464	4.7
93.07038	7.2
95.04955	1.5
95.08051	0.6
95.08609	7.9
97.06525	2.7
97.10164	1.7
98.98472	3.0
99.08086	2.2
105.07033	7.5
107.04940	0.5
107.08590	7.9
109.06509	5.8
109.10155	3.6
111.08092	1.6
117.07011	0.7
119.08572	7.8
121.06490	0.5
121.10132	5.4
122.07272	0.5
123.07182	0.8
123.08062	12.6
123.11714	2.0
124.12978	0.4
125.09646	1.2
131.08577	2.4
133.10109	6.9
135.08058	6.6
135.09006	0.7
135.11664	2.4
137.09583	1.4
137.13258	1.1
139.11131	0.7
143.08549	1.0
145.02901	0.5
145.10103	3.3
147.11685	4.8
149.09610	1.7
149.13214	2.4
151.11261	0.6
151.14789	0.5
157.10118	1.8
159.11703	2.0
161.09627	1.5
161.13249	1.4
163.03893	1.9
163.11133	1.2
163.14830	0.7
165.09103	0.4
165.12737	0.9
167.14290	1.2
171.11787	0.8
173.02080	0.7
173.09705	0.7
173.13223	0.9
175.11200	0.7
175.14830	5.6
177.12695	2.9
177.16368	1.0
179.14299	20.0
185.13271	0.5
187.14760	0.7
191.14314	0.9
193.04977	1.2
193.12308	0.8
193.15877	1.3
198.05173	0.5
205.15842	2.9
210.08914	0.4
216.06349	1.8
219.17570	0.5
223.16792	0.4
229.14304	0.7
231.15858	0.7
247.20494	0.8
263.20096	1.4
267.15811	0.9
275.20212	0.7
289.21680	4.4
289.25055	0.8
293.21231	2.3
303.26901	1.4
307.22375	0.5
317.20996	0.6
319.22635	1.5
331.26279	12.0
337.23721	1.2
347.25906	0.7
349.23560	0.7
349.27402	5.4
357.27823	1.0
361.27420	0.7
369.27802	1.0
370.07516	0.5
374.30621	2.0
375.28876	1.9
380.18115	0.5
387.28952	4.1
405.29968	100.0
406.30313	2.3
485.26544	0.7
503.27756	4.8
528.30493	0.7
546.31580	3.4
566.84644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89654	3.1
53.03939	5.2
55.01867	3.8
55.05517	24.0
57.03430	4.3
57.07058	4.0
65.03951	4.1
67.05180	3.5
67.05509	58.8
69.07078	20.8
71.04993	4.9
71.08630	8.7
71.58730	3.7
71.59141	3.5
79.05063	3.9
79.05497	45.5
81.03406	11.2
81.06640	4.8
81.07065	54.6
81.09267	3.1
83.04984	7.0
83.08602	14.4
83.51818	3.3
85.06575	3.0
91.05488	30.5
91.92775	3.6
93.07054	36.7
95.04947	12.8
95.08606	36.3
97.06529	9.7
97.10166	6.5
99.08092	9.8
105.07014	21.6
107.04933	7.6
107.08589	22.3
109.10149	14.0
111.08040	4.3
117.07026	8.5
119.08556	14.8
121.06529	6.1
121.10137	15.4
125.09570	3.6
129.06981	3.9
131.08543	14.9
133.10133	10.4
135.11679	16.0
142.72980	3.4
145.10135	6.5
147.11772	4.2
149.13226	9.3
159.11641	7.1
161.13307	8.0
163.11156	10.3
177.12843	4.8
179.14229	16.7
181.12236	5.1
227.12737	10.4
251.16733	3.4
267.15912	4.5
277.21671	15.9
332.02820	3.6
401.65186	3.2
453.33401	5.5
471.27628	3.1
527.37317	20.9
545.38428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.1
53.03950	3.1
55.01878	3.5
55.05261	1.6
55.05515	22.8
57.03440	10.0
57.07084	2.0
58.10141	1.1
62.79001	1.0
65.03954	1.5
67.05509	42.7
69.03413	3.3
69.07073	12.1
70.87999	2.1
70.88348	2.1
71.04985	4.7
79.05497	38.3
81.02975	1.9
81.03425	25.0
81.07062	46.2
83.04990	3.8
83.08629	16.5
85.02905	8.7
85.06543	1.9
91.05481	32.6
93.07053	37.5
95.04979	19.1
95.08611	26.4
97.02888	1.5
97.06550	4.1
97.10173	11.0
99.08092	1.6
103.05450	1.0
104.10747	1.2
105.07036	24.8
107.04971	4.0
107.08595	24.2
109.06542	3.9
109.10163	15.2
111.08096	5.7
113.06065	1.3
114.58465	1.2
117.07017	10.8
119.04887	1.2
119.08585	21.1
121.06527	3.8
121.10149	17.7
123.08120	2.5
123.11716	5.8
125.09631	8.0
129.06996	6.7
131.08571	16.7
133.06479	1.3
133.10150	13.1
135.08078	4.0
135.11710	9.4
137.09631	2.1
141.06982	1.7
142.07831	1.6
143.08591	5.2
145.06499	1.9
145.10135	10.8
147.08034	2.0
147.11696	12.5
149.09572	2.7
149.13297	5.1
151.11232	1.7
155.08601	2.6
157.10152	7.0
159.11688	8.7
161.13255	6.0
163.11140	1.8
163.14833	1.8
165.12767	2.0
169.10185	2.1
171.11722	3.9
173.13239	6.4
175.11195	5.0
175.14896	2.8
183.11746	3.1
185.13368	2.0
187.14864	3.1
189.11261	3.8
189.16208	1.3
193.12254	19.5
195.11757	1.9
197.13353	1.8
199.14827	2.2
201.16403	1.7
211.13303	17.4
213.16528	1.5
217.15880	1.2
227.12813	6.5
233.15308	1.3
243.21126	1.6
259.16620	1.3
261.22162	6.2
267.15933	11.6
285.22195	2.2
287.19876	1.7
299.23761	1.6
301.25269	8.1
303.23444	1.4
317.24615	1.1
335.25836	7.4
341.25076	1.5
394.67853	1.5
407.47229	1.2
421.26035	1.5
435.27380	2.1
435.32834	5.5
453.33655	7.7
471.34845	5.1
489.35587	1.3
509.36685	1.8
527.37335	31.3
545.38403	100.0
546.38806	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01874	3.5
55.05518	14.6
57.03440	3.9
57.07084	4.1
57.76998	1.7
67.05508	53.6
69.07072	17.9
69.65861	4.6
69.66269	7.5
70.97417	1.9
71.05002	4.8
71.08617	10.3
77.81599	1.9
79.05495	38.3
81.03426	7.2
81.07059	55.1
83.04994	9.3
83.08626	12.6
85.06526	2.9
91.05481	39.5
91.06007	3.3
92.08075	1.8
92.93286	2.0
93.07053	38.6
95.04967	13.2
95.08608	31.0
97.06540	5.9
97.10168	4.1
98.21465	2.1
99.08102	9.1
105.07025	22.6
105.90720	2.0
106.05180	1.8
107.04967	8.0
107.08595	25.9
109.06445	4.1
109.10138	13.0
111.08078	3.8
117.07024	10.3
119.08569	18.9
121.06517	2.1
121.10139	12.9
123.08038	2.6
123.11712	5.2
125.09631	2.6
129.06999	6.2
131.08591	16.9
133.10124	15.3
135.08012	2.5
135.11662	10.8
142.07718	2.0
143.08597	5.2
145.10138	10.2
147.08127	3.0
147.11693	6.4
149.09628	4.0
149.13278	7.0
151.11189	6.3
155.08614	5.9
157.10193	5.8
159.08066	2.4
159.11737	8.5
161.13350	5.6
163.11208	8.0
171.11670	2.6
173.13306	3.8
175.11224	3.1
175.14836	3.5
177.12790	3.0
179.14359	5.2
185.13287	3.7
187.14842	2.3
189.11220	2.3
189.12773	2.8
193.12263	5.0
199.14832	3.0
213.16426	2.6
215.14243	2.0
227.12842	9.4
235.14833	2.5
249.22054	2.9
259.20657	2.5
261.22244	2.8
267.15894	15.9
277.21561	13.4
293.17224	3.0
295.22849	2.2
335.25720	5.7
338.75165	2.3
355.26190	3.3
431.27902	4.8
435.32587	5.5
453.33508	8.5
471.34708	4.7
527.37268	32.1
544.65936	2.2
545.25360	6.0
545.38434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01867	4.7
55.05507	17.1
57.03433	5.6
57.07055	2.1
67.05503	32.2
69.03423	2.8
69.07068	12.1
71.59956	3.9
79.05491	25.7
81.03414	19.6
81.07055	40.2
83.04987	5.2
83.08623	11.9
85.02908	8.1
90.95818	2.0
91.05480	29.5
93.07045	35.1
95.04977	11.8
95.08611	23.6
96.99104	1.9
97.06523	2.8
97.10183	5.1
100.23882	2.2
105.07036	22.6
107.08592	19.2
109.06585	3.2
109.10157	10.1
111.08074	3.0
113.19823	2.1
117.07044	7.2
119.08570	19.4
121.10163	16.4
123.11667	2.6
125.09668	2.6
129.06992	8.8
131.08568	17.6
131.41084	2.0
133.10092	12.3
135.11719	8.4
137.13264	2.6
140.14980	2.3
143.08540	3.1
145.10156	7.6
147.11658	11.9
149.09604	5.2
149.13313	5.4
151.11172	3.1
157.10149	7.4
159.11700	6.1
161.13235	4.3
173.13315	4.1
175.11238	6.0
177.16499	2.2
185.13219	3.5
187.14850	3.1
193.12224	17.5
210.92276	2.3
211.13333	18.7
227.12883	3.9
246.50838	2.1
260.76944	1.9
261.22159	4.0
267.16013	5.3
301.25043	2.7
335.25922	4.5
356.99829	2.1
435.32785	5.6
453.33759	5.7
471.35022	2.4
525.45398	2.3
527.37360	27.6
545.25366	5.8
545.38428	100.0
546.38867	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83145	0.9
53.03944	4.3
53.14224	0.9
55.01873	4.9
55.05261	1.7
55.05513	24.5
57.03439	6.7
57.07077	2.1
65.03949	1.6
67.05505	46.2
69.03426	4.2
69.07071	11.6
69.31111	2.2
69.31510	9.2
71.04987	3.2
76.08090	0.9
79.05494	27.8
81.03416	21.2
81.07059	48.7
83.04988	4.7
83.08625	16.6
85.02877	1.1
85.06551	2.7
91.05482	27.3
93.07046	32.8
95.04974	18.4
95.08611	29.2
95.09223	1.4
97.06540	3.2
97.10168	15.2
99.08053	1.1
105.07030	24.6
107.04942	5.5
107.08601	19.3
109.06537	6.3
109.10156	21.1
111.08083	3.9
117.07019	9.3
118.36914	1.0
119.04945	1.2
119.08582	20.3
119.80934	0.9
121.06458	5.5
121.10149	11.4
123.08012	4.4
123.11709	6.9
125.09612	11.9
128.06207	1.4
128.87100	0.9
129.07011	6.7
129.64333	0.9
131.08575	19.1
133.06454	2.3
133.10127	16.8
135.08110	6.1
135.11708	8.8
137.09634	2.0
137.13216	2.2
141.06995	1.8
142.07761	2.0
143.08569	7.0
145.06537	2.3
145.10124	13.5
147.08113	3.4
147.11699	11.0
149.09619	3.2
149.13289	6.2
151.11125	1.7
153.09152	2.0
153.12816	1.2
155.08624	3.3
157.10127	7.7
159.11671	11.4
161.09705	1.5
161.13310	5.9
163.11261	1.4
163.14844	1.5
169.10132	3.9
171.11650	5.3
173.09685	1.8
173.13239	9.2
175.11263	3.4
175.14833	3.0
177.12825	1.9
183.11705	2.2
185.13264	3.4
187.11201	1.9
187.13374	1.1
187.14778	5.4
189.11198	10.0
189.16481	1.5
191.14264	1.2
193.12230	7.1
195.11711	1.3
197.13260	1.9
199.14833	2.7
201.16415	1.2
205.15851	1.2
209.13295	1.4
211.13181	1.5
211.14919	1.9
213.16435	1.4
215.18013	1.6
227.12793	11.5
229.91814	0.9
233.15398	2.1
243.21068	2.1
247.16879	2.2
249.14891	1.9
261.22131	7.9
267.15909	22.2
275.20193	1.0
279.23294	1.4
283.24432	1.0
285.22205	3.0
287.20029	1.6
299.20148	1.3
299.23621	2.2
301.21902	1.6
301.25253	15.9
303.23245	2.8
305.21237	1.0
311.93478	1.0
317.24850	1.6
329.21323	1.5
335.25766	15.5
341.24911	1.3
359.25873	2.0
403.24451	1.0
417.31262	1.5
421.25977	4.4
435.27322	2.1
435.32632	5.5
453.33719	11.7
471.34711	8.5
489.35861	1.2
509.36469	1.0
527.37335	49.2
528.37628	1.3
545.38385	100.0
546.38788	1.9
572.60162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.01867	5.3
55.05509	24.0
57.03444	6.4
57.07070	3.1
62.04213	1.2
65.03945	2.1
67.05503	45.8
69.03439	4.1
69.07060	15.2
70.02254	5.2
71.04989	3.2
71.08614	2.6
72.51904	1.2
73.04250	1.1
78.07780	1.1
79.05489	33.0
81.03416	22.7
81.07054	49.0
83.04988	5.0
83.08621	17.6
84.07667	1.2
85.02876	1.2
85.06529	2.0
91.05475	30.1
93.07041	36.1
95.04971	15.0
95.08603	35.4
96.18613	1.1
97.06529	4.6
97.10161	15.0
98.21444	1.9
99.08080	2.3
105.07029	23.0
105.07675	1.0
107.04971	6.2
107.08592	25.9
109.06495	6.7
109.10149	18.7
109.26483	1.3
111.08071	3.9
115.05470	1.2
117.07016	11.2
119.08583	20.0
119.09350	1.7
121.06486	6.9
121.10131	12.4
123.08074	4.1
123.11728	7.9
125.09615	11.2
128.06206	1.9
128.69682	1.3
129.07001	6.9
131.08568	19.8
132.16817	1.3
133.10112	15.1
135.08037	5.0
135.11703	11.7
137.09647	4.5
137.13260	1.8
139.11180	1.6
143.08551	6.1
145.06464	1.4
145.10100	13.1
147.08054	2.8
147.11662	10.6
149.09653	3.4
149.13245	5.8
153.09186	1.7
153.12755	1.6
155.08559	2.4
157.10155	5.5
159.08136	2.4
159.11699	11.5
161.09708	2.1
161.13194	5.9
163.11226	4.4
163.14818	2.4
169.10207	3.7
171.11745	4.2
173.09593	1.7
173.11833	2.6
173.13156	7.4
175.11192	2.8
175.14894	3.2
179.14371	4.2
181.10068	1.4
183.11763	3.0
185.13304	3.7
187.14798	6.3
187.33281	1.2
189.11255	7.3
189.12778	1.4
189.16354	2.6
193.12231	10.8
197.13306	4.1
201.16327	2.5
205.07861	1.2
211.13213	1.8
213.16432	1.6
227.12721	11.5
229.16010	1.4
243.20987	2.5
259.20624	1.9
261.22141	10.2
267.15921	17.7
275.20206	1.6
277.21805	2.3
279.19919	1.4
279.23199	2.1
283.24130	1.8
285.22253	3.0
286.51865	1.3
287.19955	1.6
299.23767	1.8
301.25192	14.3
303.23257	2.3
315.23471	1.8
317.24869	1.6
329.21170	1.5
335.25830	15.7
357.24155	1.6
359.25864	2.2
421.25998	3.8
435.27347	2.1
435.32571	6.1
449.29370	1.6
453.33759	10.4
471.34741	9.2
475.30997	1.5
509.36713	2.2
517.39636	1.4
527.37292	57.5
545.38428	100.0
546.38995	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43550	0.2
53.03928	0.3
55.05524	0.3
67.05496	0.5
69.03426	0.5
69.07072	0.4
70.79788	0.3
70.80119	0.6
79.05492	0.6
81.03397	0.5
81.07051	0.4
83.08629	0.2
85.02905	1.0
86.09710	0.3
87.04478	0.3
91.05477	0.8
93.07040	0.6
95.04948	0.3
95.08629	0.6
97.02892	0.8
97.06514	0.4
98.20801	0.2
99.08113	0.3
99.08927	0.3
105.07046	1.4
109.10136	0.3
112.98412	0.3
115.05435	0.4
119.08583	0.6
122.03651	0.4
127.03913	1.1
131.04915	0.4
133.06505	0.7
133.10150	0.3
136.64926	0.2
137.05980	5.2
137.06941	0.4
147.11681	0.3
161.05975	3.7
162.06232	0.3
162.81909	0.3
167.07089	0.5
177.05472	0.5
199.07501	1.4
202.07805	0.6
203.05287	3.0
203.08522	1.2
220.08844	0.4
231.08163	1.9
232.08867	0.4
247.07625	0.5
248.08340	1.0
259.07538	1.4
260.08377	1.0
262.09790	0.3
263.10751	1.1
276.07861	0.8
279.10062	0.3
291.03925	0.3
291.10156	7.9
292.10818	0.5
295.13269	0.3
308.10025	0.3
323.12814	4.9
324.13208	0.4
339.08691	0.4
365.26642	16.2
383.27667	1.4
399.10760	0.4
545.33002	100.0
546.25165	0.4
546.33337	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01848	0.7
55.05494	2.0
60.00402	0.6
62.98407	0.5
63.02367	0.9
65.03889	0.9
67.05228	0.6
67.05502	7.4
69.03422	4.2
69.07063	1.4
69.92073	1.2
69.92500	2.5
71.04962	1.8
75.63580	0.7
78.04679	0.7
79.05497	3.8
81.03418	7.2
81.07050	6.9
83.04982	1.9
85.02906	2.1
85.06554	0.8
86.09698	0.9
87.00834	1.6
89.03912	9.5
90.99094	0.7
91.05472	6.3
93.07037	6.2
95.04945	2.9
95.08607	7.2
97.02886	32.5
97.06518	2.3
99.04450	1.6
99.08086	1.0
103.05437	1.1
105.07024	10.7
106.04150	0.7
107.04948	2.0
107.08596	8.4
109.02873	7.5
109.06487	2.1
109.10147	40.0
111.04453	5.3
111.08080	1.8
113.05979	2.1
115.03925	0.7
117.03371	24.5
117.07027	1.6
119.08572	14.1
121.06491	2.2
121.10144	4.4
123.04404	1.4
123.08037	2.6
123.11707	1.5
125.05990	0.9
125.09705	0.7
127.03907	10.4
128.06198	0.8
129.07004	1.5
131.08527	1.9
133.06493	16.6
133.10129	9.8
134.03601	1.2
135.04446	3.1
135.08051	3.0
135.11681	2.2
137.05957	1.5
137.09607	1.5
137.13225	2.4
142.07758	0.9
143.08516	3.6
145.02838	59.9
145.10132	3.2
146.03156	1.5
147.04416	0.8
147.08047	5.4
147.11649	0.7
149.05959	7.7
149.09598	1.8
151.07442	0.9
151.11179	0.8
157.10110	2.1
159.11650	3.0
161.09622	6.8
163.03865	1.9
163.07545	1.1
163.11166	2.5
165.09096	6.6
169.10104	1.5
171.11681	2.3
173.09627	1.5
173.13310	1.5
175.07510	0.7
177.05461	100.0
178.05762	3.1
179.08646	0.5
179.09169	0.7
179.10609	5.1
181.10117	1.4
183.11716	1.0
185.09613	2.5
185.13269	0.8
186.05501	2.0
187.11220	1.7
189.09096	5.5
191.10687	1.0
195.08070	0.7
197.09607	0.8
197.13196	1.3
199.11159	4.8
201.12715	1.1
203.10754	1.1
205.12306	0.7
207.10123	7.2
209.11644	1.5
213.03902	3.4
217.12276	1.3
219.13782	1.6
225.11186	19.4
227.17931	0.9
237.16238	0.8
257.15356	0.9
269.18912	1.3
287.16711	0.9
287.19992	1.7
297.18509	2.8
313.17953	1.1
315.19507	8.2
331.19037	1.0
333.09659	2.3
333.20584	3.1
361.16504	0.8
383.17773	0.7
423.21863	4.5
441.22540	1.8
527.15564	1.9
527.22717	0.7
545.23474	3.4
545.32916	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01872	0.7
55.05510	1.6
57.03419	0.4
57.07068	0.7
59.05008	0.9
64.53323	0.4
65.03951	1.1
67.05505	17.4
68.99795	0.4
69.03433	4.7
69.07060	1.7
69.28846	4.7
71.04990	0.9
73.06574	0.5
73.54610	0.4
79.05489	5.6
81.03416	9.0
81.07050	10.5
83.04973	1.8
85.02905	2.8
85.06542	0.7
87.00823	1.1
91.05477	7.7
93.06470	0.7
93.07044	10.1
95.04970	3.7
95.08607	13.7
97.02890	60.9
97.06541	2.0
98.21572	0.5
99.04443	1.1
99.08096	0.5
103.05519	0.5
105.07027	13.0
107.04962	2.5
107.08591	13.4
109.02883	14.9
109.06529	3.8
109.10154	100.0
110.03699	0.4
110.10482	0.8
111.04443	4.8
111.08085	2.3
113.06010	1.2
115.03953	0.4
115.05442	0.6
117.07011	2.1
119.04965	0.4
119.08580	28.3
121.02892	0.4
121.06497	2.7
121.10143	5.1
123.04451	1.2
123.08056	4.8
123.11726	2.6
125.06015	0.7
127.03915	16.9
128.06194	1.0
129.07001	1.6
131.08565	3.2
133.06503	5.4
133.07460	0.6
133.10124	22.6
135.08058	6.3
135.11658	2.8
137.06003	1.4
137.09628	2.6
137.13260	4.1
139.07617	0.6
141.06961	0.8
142.07753	0.5
143.08549	4.7
145.04987	0.8
145.06474	1.1
145.10123	3.4
146.07271	0.5
147.08044	14.4
147.11694	1.0
148.08876	0.6
149.09599	2.2
151.03911	0.4
151.11148	1.9
153.09091	0.4
155.08533	0.9
156.09358	0.5
157.10100	2.1
159.08028	1.0
159.11676	2.6
161.09612	13.2
161.13327	0.7
163.07536	0.8
163.11166	2.8
165.07068	0.6
165.09116	15.7
167.08609	0.4
169.10146	1.3
171.08041	1.1
171.11678	1.9
173.09636	1.1
173.13245	1.3
175.11186	0.6
175.14822	0.6
177.09108	0.8
179.10660	10.8
179.12184	0.7
181.10132	1.7
181.12146	0.5
183.08055	0.5
183.11716	0.9
184.08749	0.4
185.09612	1.0
185.13293	0.9
187.11182	1.9
187.14780	0.9
189.09109	12.1
191.10767	0.6
193.10083	0.4
195.11713	0.9
196.00078	0.4
197.09634	0.7
197.13310	0.5
198.10272	0.6
198.68719	0.4
199.11183	5.2
199.14845	0.9
201.12796	0.7
203.10690	0.7
205.12256	1.0
207.10165	20.0
209.11710	1.1
213.03955	6.4
213.12825	0.8
213.16455	0.6
215.10677	0.7
217.12300	2.1
219.13869	0.8
220.53229	0.4
223.16986	0.5
225.11209	54.2
226.11589	0.8
227.17894	0.8
229.12326	0.4
237.16444	0.6
243.12236	1.0
247.67513	0.4
251.18001	0.5
255.17502	1.3
266.13904	0.6
269.15976	0.3
269.18979	2.4
273.18509	1.3
279.17426	1.3
287.16559	0.5
287.19949	1.2
295.16800	0.5
297.18497	4.2
311.16367	0.4
313.17780	0.6
315.15903	0.8
315.19519	11.2
315.23041	0.8
331.19388	0.6
333.20581	4.4
394.40878	0.4
399.21304	0.6
405.20361	0.6
423.21603	2.3
441.22525	1.4
527.22369	0.7
545.23254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44217	1.0
50.69196	0.8
53.03942	3.3
55.01866	2.4
55.05506	4.1
59.05003	1.1
61.02892	0.9
65.03945	1.5
67.05501	24.0
68.99785	1.6
69.03421	9.1
69.07064	5.5
71.04980	3.3
71.59530	1.1
71.59865	0.9
73.06556	1.6
79.05483	9.8
79.78665	0.8
81.03413	18.1
81.07056	13.9
83.04980	4.0
83.08611	1.2
85.02890	5.0
85.06560	1.6
87.00836	1.8
91.05473	15.1
93.07035	15.5
93.51653	0.9
95.04966	8.8
95.08599	19.9
97.02886	83.7
97.06525	4.6
99.04452	2.6
105.07018	21.1
107.04964	4.3
107.08582	21.3
109.02869	19.9
109.06523	7.1
109.10147	100.0
111.04437	11.3
111.08112	4.3
113.05996	4.1
115.03915	3.3
115.05440	1.4
117.07033	5.1
119.04884	1.3
119.08573	45.6
121.06499	6.6
121.10144	8.6
123.04407	2.0
123.08058	6.9
123.11678	4.9
125.05969	1.6
127.03907	27.3
128.06187	2.5
129.06993	2.9
131.08562	5.2
133.06487	37.3
133.10121	28.9
135.04431	1.0
135.08052	8.7
135.11670	4.3
137.05983	1.6
137.09624	3.2
137.13246	4.0
141.06998	1.9
142.07726	1.9
143.08572	7.4
145.04938	1.1
145.06435	1.6
145.10124	9.2
147.04433	1.3
147.08046	14.6
147.11674	2.9
149.06015	2.1
149.09622	2.6
151.03963	1.3
151.11183	2.6
153.09109	1.0
155.08560	2.3
156.09334	1.2
157.10143	6.2
159.08089	2.8
159.11664	6.3
161.09599	15.7
163.03908	3.1
163.07533	1.6
163.11191	3.5
165.07025	1.2
165.09103	17.5
166.07852	1.2
167.08553	2.3
169.10127	3.4
171.08041	1.7
171.11670	4.4
173.09627	3.5
173.13249	3.9
175.11224	2.4
179.08554	1.2
179.08926	1.3
179.10661	12.7
181.10175	2.7
183.08165	1.5
183.11757	5.1
185.09572	5.1
185.13211	1.8
187.11182	4.1
187.14787	1.0
188.35011	0.9
189.09097	13.2
189.12817	1.6
191.10660	1.6
193.12402	1.0
195.11705	1.9
196.12540	1.1
197.09590	2.4
197.13287	2.6
199.11159	9.0
201.03961	1.1
201.12778	3.6
203.10620	1.5
205.12154	1.1
207.10144	21.0
207.11987	1.2
209.11728	3.1
209.13397	1.3
211.11264	1.0
211.14883	1.3
213.03871	8.2
213.09233	0.9
213.12750	1.2
215.14307	1.6
217.08571	5.3
217.12137	4.1
219.13803	3.3
223.11349	1.3
225.11186	56.9
227.10828	1.2
229.12277	1.0
237.12849	1.1
237.16302	1.3
239.14429	1.9
241.12354	1.5
242.44699	1.0
245.11703	1.1
251.17929	1.1
253.15932	1.5
255.17488	2.2
257.15408	3.6
269.19037	3.3
273.18420	2.0
279.17557	1.5
287.16443	1.9
287.20047	3.8
297.18524	7.1
313.18091	2.5
315.19510	20.4
318.27890	1.1
331.18967	5.4
333.20587	9.0
359.18570	1.1
361.16403	2.1
371.27353	1.0
399.21625	1.2
405.20432	3.3
423.21631	12.4
441.22867	7.0
527.22754	2.3
545.23492	6.8
545.30670	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.1
57.03415	1.5
61.02905	1.2
67.05472	0.9
69.03395	2.7
70.04707	2.9
70.05117	1.5
79.05462	3.3
81.03403	1.7
81.07059	1.9
85.02911	9.3
85.37462	0.7
91.05455	3.3
94.04223	3.7
94.04687	0.7
95.04971	0.8
97.02852	2.3
103.05428	2.8
105.07038	10.4
107.04942	1.5
107.08593	0.8
109.02844	1.3
109.06489	2.9
109.10125	1.2
115.05427	3.3
122.03661	7.9
127.03899	2.2
128.06197	2.3
129.07027	0.9
131.04907	1.8
133.05763	0.7
133.06508	7.2
137.05984	76.3
141.06949	1.2
145.05000	1.0
145.06447	1.2
146.03603	4.2
147.04419	1.2
149.05988	2.0
159.08000	1.4
161.05997	63.3
165.06906	0.8
167.07079	1.3
171.08003	2.1
175.07492	1.3
177.05423	1.1
178.79239	0.8
181.06526	0.7
184.05188	4.3
187.07535	2.9
189.06949	1.2
190.07742	1.0
191.08577	1.9
192.09415	1.8
199.05745	1.5
199.07561	22.8
202.07782	11.7
203.05212	2.3
203.08566	21.5
204.09364	1.8
205.06485	1.8
205.10042	0.9
215.08655	1.0
217.10019	0.8
219.08109	6.6
220.08865	8.9
221.09494	0.9
222.06717	1.0
225.04427	0.7
230.07350	1.8
231.08069	34.8
232.08824	7.1
233.06163	0.9
233.09634	1.6
235.11119	1.7
245.09657	2.4
247.07562	6.3
248.08360	21.5
249.09055	2.2
257.05875	0.8
258.06747	2.2
259.07556	26.5
260.08325	17.2
261.09079	1.4
262.09827	1.7
263.10690	16.0
264.11304	1.1
265.08682	1.9
273.09113	0.8
275.07047	3.6
276.07837	14.8
277.08582	5.6
288.64301	0.9
291.10172	100.0
291.34711	0.8
292.10901	6.4
293.08096	3.1
295.13306	3.4
308.10556	4.1
308.13538	0.9
323.12802	72.1
365.26666	13.4
383.27829	0.9
519.33704	0.9
545.33014	68.8
551.58887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1653
Annotation	CHEBI:85153
Peak:m/z	Relative Intensity
63.02371	0.7
69.38898	0.6
69.39321	1.9
78.04719	0.5
81.03416	0.4
81.07054	0.3
85.02891	0.4
89.03911	8.8
91.05479	1.0
93.07043	0.3
94.20459	0.3
95.04956	0.5
95.08669	0.3
97.02890	0.8
103.05470	0.4
103.37679	0.2
106.04165	0.6
109.02885	0.5
109.10159	0.7
117.03375	24.4
119.04932	0.2
119.08572	0.4
125.05930	0.4
127.03934	0.4
133.06447	0.3
133.10110	0.4
134.03633	1.5
135.04399	2.1
145.02841	54.1
147.04384	0.5
149.05974	9.1
158.05981	0.4
161.09583	0.3
163.03894	1.0
177.05461	100.0
178.05751	0.6
186.05487	2.0
225.11104	0.5
244.48232	0.3
261.12610	0.3
276.96463	0.3
333.09610	2.4
351.10504	0.6
527.15485	2.5
545.32391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
51.89282	0.3
52.70779	0.4
53.03942	1.7
55.01861	0.9
55.05503	1.1
57.03417	0.4
57.07060	0.3
59.04942	0.3
61.02909	0.5
63.02376	0.5
65.03925	0.7
67.05501	2.0
68.99754	0.4
69.03425	3.6
69.07048	1.2
69.41891	0.3
71.04982	0.7
71.59692	0.5
73.02906	0.3
79.05490	6.1
81.03413	4.4
81.07057	5.5
83.04963	0.8
85.02898	2.9
87.00822	0.8
89.03915	6.9
91.04890	0.4
91.05477	6.7
93.07042	18.9
95.04951	3.1
95.08595	2.7
97.02891	4.7
99.04462	0.8
103.05476	0.5
105.04540	0.4
105.07031	8.8
107.04962	2.5
107.08591	17.4
109.02872	3.5
109.06510	2.3
109.10142	2.1
111.04438	0.9
115.03947	0.8
115.05500	0.5
117.03373	6.1
117.06999	1.6
119.04916	0.7
119.08603	2.7
119.28915	0.4
121.06492	1.2
121.10138	2.0
123.04433	3.7
123.11671	0.4
125.05955	0.6
127.03909	3.2
128.06253	0.5
129.06996	0.7
131.04875	1.1
131.08575	1.8
131.09421	0.3
133.06488	0.8
133.10129	4.5
135.04411	16.9
135.08052	1.0
135.11687	10.3
137.02348	0.7
137.05945	0.9
137.09598	0.8
141.06955	0.6
143.08531	1.4
145.02844	11.2
145.03993	0.6
145.06494	0.8
145.10085	2.1
147.02820	0.5
147.04411	0.9
147.08057	0.7
147.11685	1.5
149.05984	1.5
149.09567	0.4
149.13396	0.4
151.07523	0.9
153.07002	0.4
155.08565	1.1
157.10109	1.6
159.08058	1.4
159.11655	1.9
161.05975	0.9
161.09631	0.8
163.03899	100.0
163.11133	3.6
164.04262	1.0
165.09096	0.6
165.12744	0.4
167.07100	0.7
167.08562	0.8
169.10120	0.7
173.09584	0.7
173.13266	0.7
175.07578	0.9
175.11174	1.2
177.05492	1.4
181.05011	0.5
183.08058	0.6
185.09650	0.7
187.07516	0.8
187.11086	0.4
189.09126	0.4
189.12770	0.4
193.12172	0.8
195.08086	1.5
197.09700	0.8
197.13231	0.8
199.07501	0.6
199.11247	0.4
201.09087	0.9
201.12735	0.7
205.12253	0.8
209.09605	0.7
211.07552	0.4
213.03996	0.3
213.09087	4.1
215.10802	0.5
215.14281	1.1
217.08563	0.4
219.13792	0.6
225.09094	0.6
225.12761	0.9
226.09793	0.4
227.10646	1.1
229.08615	0.5
231.04950	0.7
241.08517	0.4
241.12164	0.6
243.13765	3.4
257.45398	0.4
261.14838	4.1
267.13675	0.4
269.15366	8.1
269.18100	0.7
279.13663	0.4
279.16269	0.5
297.14670	2.0
307.70047	0.4
310.13547	0.6
347.14859	1.3
365.15872	0.7
441.18945	0.6
501.34869	0.4
527.19061	1.0
545.20166	7.8
545.32849	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.1
55.05503	0.2
56.05028	0.5
57.03442	0.1
58.06628	0.4
59.07394	0.1
59.48403	0.1
60.08161	6.1
67.05491	0.7
69.07056	0.2
70.06596	0.1
71.07368	2.9
71.59557	0.1
71.59976	0.1
79.05476	0.5
80.05799	0.1
80.97419	0.1
81.03383	0.1
81.07055	0.8
83.08640	0.1
86.09700	30.3
87.10016	0.1
91.05485	0.4
93.07036	0.5
95.04935	0.1
95.08623	0.5
98.98453	2.9
104.10732	2.8
105.07021	0.2
107.08597	0.3
109.10139	0.3
116.99455	0.1
117.06993	0.1
119.08575	0.3
120.96601	0.1
121.10172	0.1
124.99995	21.0
127.03896	0.1
128.84317	0.1
131.08572	0.1
143.01027	0.4
145.10124	0.1
166.02650	0.3
172.95166	0.2
184.07326	100.0
185.07625	0.4
190.96242	0.1
207.99805	0.4
258.11020	0.3
289.44162	0.1
296.10950	0.1
337.27109	0.1
359.17117	0.1
471.17868	0.2
526.32660	0.9
544.33789	2.4
545.21564	0.2
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
53.03928	1.7
55.01861	3.7
55.05507	12.4
57.03424	2.2
57.07087	1.3
57.68392	1.2
65.03928	4.0
67.05502	36.7
69.03429	2.7
69.07072	9.2
71.04996	3.7
71.59891	1.5
75.81837	1.6
77.03934	1.3
79.05488	43.4
80.81631	1.2
81.03444	3.3
81.07050	34.6
83.04976	5.1
83.08605	8.2
91.05471	19.9
93.07039	51.4
95.04972	11.7
95.08599	46.6
97.02868	3.1
97.06552	3.9
97.10172	2.6
99.04408	2.6
103.05421	1.6
105.07030	13.8
107.04962	7.1
107.08591	34.0
109.06547	2.7
109.10162	8.8
117.07005	11.3
119.08565	14.6
121.06483	5.2
121.10130	20.9
123.11697	3.0
125.09641	1.9
127.03961	1.8
129.07057	2.3
130.07753	2.4
131.08582	7.2
133.10130	7.6
135.08052	2.6
135.11688	40.6
138.30904	1.3
143.08569	2.3
145.10112	24.0
145.11151	2.2
147.11702	2.9
149.13290	2.4
154.44197	1.2
155.08479	1.4
155.33734	1.6
157.10130	2.0
157.95583	1.3
159.11696	4.4
161.13225	1.7
163.11177	46.6
173.13313	3.8
181.12231	10.6
185.13084	1.6
227.12773	100.0
261.21960	6.8
275.20099	1.7
293.88806	1.6
317.24686	2.0
336.26843	1.5
445.51724	1.3
451.32108	2.7
525.35669	3.6
535.36584	1.7
543.36804	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04080	1.8
55.01866	3.2
55.05511	18.5
57.03424	2.8
57.07069	1.9
67.05505	24.5
69.07068	8.1
70.76254	2.1
71.59762	2.9
71.60162	2.0
79.05495	17.4
81.03419	4.6
81.07063	22.9
83.04996	3.6
83.08611	5.5
91.05479	15.7
93.07059	16.7
95.04958	4.4
95.08622	13.1
97.10163	8.5
105.07053	13.8
107.04929	2.4
107.08584	14.4
109.06517	3.6
109.10155	9.0
111.08083	3.0
117.07022	10.1
119.08588	10.7
121.10146	7.8
123.11704	2.2
125.09647	10.9
126.25876	1.9
129.07013	6.0
131.08549	14.2
131.09384	2.0
133.10136	8.3
135.08092	2.0
135.11699	4.8
143.08594	5.3
145.10136	9.7
147.11681	5.5
149.13335	2.2
153.07921	2.0
155.08556	4.7
157.10149	6.3
159.07971	2.8
159.11694	8.7
163.11215	6.1
168.87276	2.3
169.10104	4.8
171.11684	5.6
173.13255	4.6
181.10211	2.5
183.11732	4.4
185.13248	3.0
187.50012	2.0
189.11322	4.8
195.11688	2.7
197.13216	2.2
201.16368	2.0
221.77974	2.3
227.12747	5.2
261.22064	3.3
267.15903	3.1
268.16348	2.1
270.64331	2.1
275.20233	2.9
299.23737	6.6
312.32809	2.1
357.24384	2.6
433.31137	4.7
451.32050	10.3
457.98657	2.2
469.33310	2.9
515.36938	2.4
525.35577	17.9
543.36841	100.0
552.21521	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
50.51778	0.7
53.03943	1.2
55.01876	2.3
55.05517	13.3
56.96576	1.2
57.03429	2.6
57.07086	1.3
58.04252	0.8
59.05008	0.8
61.67702	1.0
65.03939	0.8
66.98485	0.8
67.05507	21.0
67.76328	0.7
69.03425	1.6
69.07066	6.8
71.04984	1.6
71.08622	0.7
71.60683	1.3
79.05489	13.2
81.03418	5.2
81.07055	17.7
83.04989	2.6
83.08614	5.6
85.06573	1.5
86.09723	1.0
91.05486	12.4
93.07048	12.9
95.04977	5.1
95.08611	11.2
97.06548	2.5
97.10177	7.1
105.03414	1.0
105.07033	13.4
107.04971	2.3
107.08596	10.1
109.06549	1.4
109.10162	8.6
111.08062	1.2
115.05437	0.9
117.07025	6.0
119.08585	10.9
121.06525	2.6
121.10116	3.9
123.08112	1.8
123.11732	2.2
125.09625	5.3
128.06221	1.4
129.07001	7.6
131.04909	1.1
131.08553	14.1
133.10106	6.7
135.08090	2.7
135.11723	3.1
137.09717	1.1
141.07043	2.0
142.07806	2.3
143.08578	8.6
143.10838	0.8
145.06474	2.4
145.10098	11.3
147.08066	1.8
147.11656	5.1
149.06021	2.4
149.09665	1.9
149.13347	0.9
150.06369	1.4
155.08571	4.8
157.10133	9.9
159.08052	1.9
159.11722	6.9
161.09558	0.9
161.13275	1.8
163.11209	1.1
167.08592	1.8
169.10121	6.2
171.08084	1.6
171.11684	7.3
173.09657	2.1
173.13258	4.9
175.11230	1.7
175.14832	1.5
181.10176	2.5
183.11742	3.7
185.09708	1.2
185.13231	4.0
187.11317	1.1
187.14825	2.0
189.11293	2.1
193.12251	1.7
195.11787	3.4
197.09639	1.0
197.13316	3.0
199.11362	1.1
199.14862	3.0
201.12845	1.6
205.10049	1.0
207.11699	1.1
209.13339	2.5
211.13167	1.3
211.14828	1.8
213.16528	1.5
221.13425	1.0
223.14912	1.5
227.12880	2.5
227.18126	1.1
229.23451	1.2
233.15442	1.3
259.20599	4.2
267.16040	2.3
283.20697	1.6
297.07761	0.9
297.22180	1.9
299.20554	1.2
299.23856	3.7
315.23209	1.2
325.21817	1.1
333.24536	1.7
338.60660	0.9
339.23352	1.7
342.10519	1.6
357.24448	1.1
371.26096	0.9
375.26187	0.9
415.29953	1.7
433.31186	6.1
451.32190	8.5
469.33218	4.1
487.34277	1.0
507.34940	3.0
515.37671	1.6
525.35736	20.9
543.36987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03941	1.8
54.65962	0.6
55.01871	3.1
55.05260	1.1
55.05510	14.9
57.03424	2.3
57.07069	1.3
59.04997	1.5
65.03936	1.3
67.05501	19.3
69.03419	1.8
69.06704	0.9
69.07060	7.1
71.04990	1.9
71.59991	1.1
78.04775	0.6
79.05489	19.6
79.73061	0.6
81.03430	4.7
81.07053	19.5
82.07398	0.7
83.01321	0.7
83.04979	5.5
83.08612	6.1
85.06539	1.2
91.05476	14.2
93.07038	18.4
95.04966	5.8
95.08601	12.2
97.06513	2.7
97.10163	8.8
104.10707	1.8
105.07030	12.4
107.04961	2.4
107.08587	10.5
109.06508	1.8
109.10161	7.3
111.04436	0.9
111.08081	1.8
112.58274	0.6
115.05497	0.9
117.07012	6.7
119.04915	0.7
119.08587	9.7
119.86856	0.7
121.06493	2.0
121.10150	7.4
123.08071	1.9
123.11721	2.0
125.09612	7.8
128.06245	0.9
129.06996	5.1
131.08551	10.1
133.06468	0.6
133.10118	7.1
135.08081	1.3
135.11685	5.1
137.09642	0.7
141.06972	1.2
142.07777	0.8
143.08563	5.0
145.06453	1.0
145.10115	10.7
145.11160	1.1
147.08037	1.3
147.11690	4.4
149.09608	1.4
149.13289	1.1
151.11118	0.8
153.09097	0.6
153.12761	1.3
155.08559	2.8
157.10107	4.4
159.08043	1.0
159.11655	6.6
161.09628	0.7
161.13257	2.2
163.11221	3.0
163.14758	0.8
169.10085	3.2
171.08080	0.6
171.11668	4.6
173.09662	1.5
173.13243	4.2
175.14830	1.7
181.10088	1.7
181.12228	1.2
183.11688	2.4
185.09724	0.7
185.13269	4.1
187.14833	2.2
189.11176	4.1
191.10631	0.8
193.12224	0.8
195.11702	1.3
197.13304	2.8
199.11133	0.6
199.14882	2.0
207.11554	0.8
211.13278	1.0
213.12538	0.8
215.14406	1.0
223.14954	1.0
225.16333	0.7
227.12645	4.8
235.14757	0.8
235.17062	0.7
241.19658	1.0
243.21202	0.7
259.20575	1.9
261.22095	1.4
262.49106	0.7
265.19614	0.8
267.15924	1.2
270.35779	0.7
271.16891	0.8
281.22763	0.7
283.20538	2.5
299.23621	7.8
301.21542	1.5
313.12045	0.8
313.21463	0.8
315.23016	0.9
317.24918	0.9
325.21521	1.3
333.24429	1.6
339.23154	1.0
357.24472	1.5
415.29929	1.7
433.31052	4.8
451.32089	7.2
469.32892	4.2
487.34256	2.5
507.34665	1.5
525.35742	17.1
526.35638	0.7
543.36786	100.0
544.37549	1.7
547.72418	0.6
562.35187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3143
Annotation	Tricalysioside S
Peak:m/z	Relative Intensity
53.03928	0.3
55.01862	0.4
55.05500	0.4
56.96564	0.5
57.03402	0.4
60.04517	0.3
65.03934	0.3
67.05499	1.0
69.03416	0.5
69.07056	0.6
69.93181	0.4
69.93571	0.9
75.92425	0.3
79.05491	0.6
81.03403	0.5
81.07057	0.9
83.04977	0.4
85.02885	1.1
85.07610	0.3
91.05481	1.1
93.07047	0.8
95.04962	0.4
95.08598	1.1
97.02898	0.8
97.06527	0.7
98.97552	0.4
99.04449	0.3
101.07135	0.7
105.07034	0.9
107.04980	0.4
107.08565	0.7
109.02881	0.6
109.06542	0.3
116.98582	0.4
117.07053	0.4
119.08566	0.8
121.10158	0.6
123.08047	0.4
123.11687	0.3
125.09615	0.5
127.03969	1.9
131.08582	0.5
133.06508	0.3
133.10078	0.7
135.08078	0.9
137.05989	0.4
145.02861	0.3
147.04387	0.5
147.11688	0.3
147.68010	0.3
154.06195	0.3
158.99530	0.3
159.88573	0.2
161.13329	0.3
163.03911	1.0
163.07474	0.3
167.03397	0.3
167.08566	0.3
177.00766	0.5
177.05466	0.8
195.08311	0.3
195.10143	1.0
203.05275	3.5
207.10199	0.6
233.06172	0.3
237.02846	0.3
258.65909	0.3
275.78134	0.3
281.14859	0.3
301.05368	0.3
307.09586	0.3
333.24164	0.7
363.25101	11.2
381.26266	1.0
449.40463	0.3
483.15579	0.4
513.30200	0.8
543.31421	100.0
544.31824	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01861	0.5
55.05520	0.5
56.77227	0.5
56.96587	0.7
57.52926	0.4
58.57657	0.5
61.80790	0.6
68.73409	0.5
69.03443	1.9
70.06606	0.9
71.05003	0.9
71.60211	0.6
81.03420	1.2
81.07045	0.8
83.04974	0.6
84.08140	0.8
85.02914	3.0
86.09723	1.0
91.05507	1.4
93.07062	0.6
94.11461	0.5
95.04952	2.7
95.08614	0.8
97.02938	1.6
97.06522	0.8
105.07055	0.8
107.04985	0.6
109.02898	0.7
109.06496	0.8
109.10155	0.6
111.30558	0.5
117.03403	1.6
119.04987	1.9
121.06496	0.5
127.03965	1.6
131.05040	0.6
137.06018	0.9
145.02838	4.8
145.04993	0.9
146.06081	0.7
147.04408	6.6
148.04846	0.7
149.05954	0.5
163.03990	0.9
163.07680	0.5
177.05475	10.7
184.39308	0.5
188.07117	1.3
205.09834	0.6
231.05022	0.6
240.09845	0.5
281.10431	1.9
292.04202	0.5
295.11969	1.3
335.09506	3.1
495.94315	0.5
499.25305	0.7
525.19519	0.6
543.24329	100.0
544.24939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.3
65.90831	0.3
67.05486	0.7
69.07059	0.4
70.26795	0.6
70.27202	0.6
73.62093	0.2
79.05481	0.5
81.03411	0.5
81.07040	1.1
91.05496	0.7
93.07042	0.8
95.08571	0.6
105.07031	0.6
106.06699	0.3
107.08609	0.4
117.07047	0.3
119.08495	0.4
121.10143	0.5
133.10159	0.4
135.11687	0.5
143.03114	0.4
145.10100	0.4
157.16928	0.3
161.02966	0.4
185.04211	1.7
203.05267	7.9
211.13040	3.2
227.12769	0.7
247.13734	0.4
275.20218	0.3
373.18326	14.9
381.26233	0.7
525.35205	0.3
543.31348	100.0
544.31665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54306	0.1
51.16989	0.1
54.67136	0.1
55.83007	0.1
57.03431	0.2
69.03426	0.3
71.35677	0.3
76.45310	0.1
79.74199	0.1
80.20544	0.1
80.89959	0.1
83.63866	0.1
83.64564	0.1
84.78101	0.1
85.02902	0.4
97.02891	0.3
114.41501	0.1
125.71443	0.1
132.82445	0.1
153.39943	0.1
160.30592	0.1
174.04471	0.3
183.17503	0.2
185.02966	0.2
205.34573	0.1
245.05251	0.2
335.23743	0.2
336.09811	0.2
346.55109	0.1
363.02319	0.2
363.06918	3.3
381.07944	4.9
415.08685	0.1
543.13214	100.0
544.13550	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	0.4
67.05495	0.7
69.03424	0.4
69.07055	0.5
69.31955	3.6
79.05479	0.8
81.03465	0.4
81.07062	1.3
85.02888	1.4
86.09721	0.6
89.03918	0.8
91.05501	1.1
93.07037	0.9
95.04992	0.5
95.08622	0.8
97.02905	1.1
105.07041	1.0
107.08598	1.3
109.06507	0.4
109.10171	0.7
117.03394	1.2
119.04959	0.9
119.08585	0.6
120.08105	1.6
121.06526	0.4
121.10128	0.4
127.03918	1.5
131.04951	0.5
131.63060	0.3
133.03477	0.5
133.06622	0.4
133.10176	0.5
135.05084	0.5
135.08037	0.5
137.05891	0.4
145.02838	2.2
147.04391	2.8
163.03896	0.6
177.05487	5.8
201.00786	0.4
203.05307	0.4
207.12257	0.7
225.13351	0.7
251.11351	0.5
269.12448	2.5
293.12296	0.6
305.17291	2.1
307.14355	0.4
347.18127	0.8
349.16125	1.0
363.25195	1.1
367.17288	6.8
377.14798	0.6
384.77271	0.4
409.18427	1.1
447.15536	0.7
457.24023	0.7
481.20569	3.5
483.17523	1.6
507.19000	0.4
525.18927	1.4
543.20447	100.0
543.31055	7.6
544.20807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16242	0.4
55.68162	0.5
56.83953	0.4
71.12124	1.0
71.12489	0.6
183.31186	0.5
200.05449	0.5
254.21483	0.4
363.06839	3.7
381.07901	6.3
543.13232	100.0
544.13477	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
54.96431	0.7
55.01863	1.2
55.05496	4.7
57.03440	4.1
67.05489	2.8
69.03425	10.6
69.07071	0.9
71.04969	1.2
71.59326	0.9
75.04479	10.7
77.03909	1.0
79.05492	16.9
80.85435	0.8
81.03414	10.4
81.07056	7.3
82.30835	0.7
83.04967	1.4
85.02897	7.1
85.71425	1.0
91.05476	14.2
93.07037	100.0
94.07368	1.3
95.04957	7.8
95.08587	4.1
97.02888	7.6
97.06551	1.2
99.04454	2.8
103.05436	0.9
105.07033	8.3
107.04991	0.8
107.08584	17.7
109.02882	5.0
109.06516	1.5
109.10159	1.1
111.04452	2.1
111.08083	8.4
115.05437	0.9
117.06987	2.0
119.08573	15.0
121.06518	4.1
121.10135	99.0
122.10483	0.9
123.04483	1.0
123.08043	2.2
123.11704	2.3
125.06008	1.3
125.09657	0.8
127.03918	6.0
131.04916	4.5
131.08607	5.5
133.10124	1.0
135.04376	1.2
135.08078	1.1
137.05997	3.0
137.09608	1.4
139.11168	5.7
145.04964	2.6
145.10118	1.9
147.04437	1.0
147.08008	1.5
149.09608	18.3
161.05939	0.8
163.03889	3.5
163.07501	2.3
165.09090	1.1
167.06989	1.3
167.10664	42.0
173.09645	1.3
179.07031	10.9
182.91641	0.8
189.08969	1.3
191.07007	5.1
191.10672	1.9
193.04829	1.0
201.09125	1.3
204.68156	0.9
209.08052	2.9
230.26146	0.9
257.11798	1.0
271.13278	1.3
275.12726	1.7
283.15372	1.9
293.13885	7.5
309.14615	1.0
311.14868	20.0
327.15909	5.7
329.15878	3.8
339.40305	1.0
344.25751	1.7
344.49109	0.8
345.16830	3.3
453.09354	0.8
471.20020	1.6
489.21350	2.0
531.74719	0.9
536.56317	1.1
542.21637	1.2
542.29797	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.8
55.01874	2.2
55.05517	23.1
57.03450	2.3
57.07078	3.1
65.03954	2.7
67.05511	76.6
69.07067	16.3
70.13967	1.2
71.05006	1.8
79.05501	81.5
81.03435	6.8
81.07066	56.6
83.04991	8.6
83.08635	7.1
85.06554	2.1
87.72948	1.5
91.05488	56.3
93.07054	73.6
95.04982	17.5
95.08615	40.1
97.06543	4.4
97.10203	5.1
98.61816	1.3
103.05466	1.6
105.04541	3.0
105.07048	39.2
107.04961	3.5
107.07893	1.5
107.08607	28.7
109.06543	4.2
109.10165	11.0
115.05501	2.5
117.07017	13.0
119.08592	24.4
121.06539	2.4
121.10160	18.4
123.08057	2.1
127.07595	1.7
128.06259	2.7
128.15800	1.4
129.07034	12.7
131.08586	9.7
133.10123	16.2
135.11711	9.6
143.08582	8.0
143.86194	1.3
145.10152	11.8
147.08089	1.3
147.11711	24.5
149.13272	2.8
157.10175	3.5
159.11749	5.0
161.09628	2.3
161.13268	9.8
169.10207	3.3
171.11716	18.8
173.13304	4.3
181.10292	1.5
183.11739	2.2
185.13182	1.3
187.14810	2.9
189.12796	9.0
197.13322	1.7
207.13832	21.0
256.26501	2.1
261.22260	2.7
311.29443	2.4
467.35306	1.9
523.37793	2.0
540.54413	1.7
541.38934	100.0
541.53503	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	541.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01855	1.6
55.05510	12.3
57.03420	2.3
57.07066	3.5
59.69288	0.8
67.05501	22.6
69.07072	10.5
70.06595	1.1
70.18917	4.2
71.05000	1.3
71.08606	2.3
79.05492	23.4
79.70235	0.7
81.03417	2.1
81.07056	22.6
83.04964	2.5
83.08639	5.8
83.09039	0.9
85.06548	1.9
85.10201	1.4
88.07614	0.8
91.05478	17.7
93.07043	25.7
95.04996	4.7
95.08601	16.6
97.06540	3.3
97.10170	3.6
102.09126	0.8
105.07030	17.8
107.08595	9.5
108.22028	0.9
109.06529	1.7
109.10164	4.9
111.08110	1.4
115.05461	1.1
117.07019	6.8
119.08585	11.8
121.10140	7.0
123.08058	1.5
123.11741	1.3
125.09666	1.6
128.06239	2.7
129.06995	9.1
131.08563	12.6
133.10147	5.9
135.11717	3.8
141.07008	3.3
142.07803	2.6
143.08562	12.7
145.10109	12.4
147.11697	7.3
149.13272	2.0
155.08548	10.0
156.09387	1.1
157.10133	10.5
159.11725	5.7
161.13284	2.5
163.14847	1.0
167.08595	3.4
169.10127	9.0
170.10880	1.3
171.11671	10.5
173.13319	3.9
181.10107	6.2
183.11688	7.1
185.13272	5.7
187.14766	2.1
189.12750	1.4
193.10170	1.7
195.11702	3.6
197.13257	3.7
199.14847	4.8
207.11736	2.3
207.13811	3.8
207.61063	1.0
209.13313	3.1
211.14749	4.4
213.16402	4.2
221.13380	1.4
223.14810	2.4
225.16444	3.3
227.18024	1.4
235.14798	1.9
237.16461	2.5
239.18111	1.8
243.21136	2.1
250.87515	1.1
251.17896	1.2
256.26419	1.5
257.26810	1.0
258.64563	0.9
261.22214	2.0
265.19611	1.0
269.18979	0.9
281.17526	1.8
311.23584	1.2
311.29431	1.5
317.24863	2.7
323.23941	1.1
325.25443	1.4
339.27231	1.2
431.32840	4.7
449.34137	14.0
467.35626	4.9
485.36475	2.9
487.36014	1.0
505.36795	2.9
523.37744	12.1
541.38934	100.0
541.53711	4.1
542.38715	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01861	1.7
55.05513	9.3
57.07076	8.2
57.38106	1.3
59.05004	1.5
67.05510	24.5
67.96593	1.4
68.55774	1.4
69.03435	4.6
69.06718	2.4
69.07071	28.4
71.04996	12.4
71.59161	1.6
79.05496	13.1
81.07058	100.0
82.07354	1.3
83.04986	2.8
83.08618	9.6
84.08186	1.4
85.02921	6.3
85.06535	11.1
91.05506	5.6
93.07045	34.0
95.04980	3.6
95.08608	78.0
97.02908	4.8
97.06532	7.5
97.10181	5.2
99.08112	5.0
103.05450	1.5
105.07051	10.5
107.08595	36.4
109.06510	4.6
109.10152	36.9
111.08088	21.9
111.11724	4.9
113.06002	3.2
113.09726	1.9
115.29642	1.3
117.07006	1.6
119.08557	7.4
121.10150	17.3
123.08079	2.0
123.11711	61.9
124.07597	6.4
125.09635	3.5
126.09085	2.2
127.03983	3.3
127.11200	6.7
130.26793	1.3
133.10127	7.2
135.11682	17.3
137.05998	1.6
137.13258	34.8
138.09163	4.5
139.11189	5.9
141.12790	2.1
145.10136	3.9
147.04454	2.2
147.11696	10.2
149.13252	21.7
150.05576	1.9
151.11180	7.7
153.12743	11.0
155.14236	1.7
159.11722	6.2
161.13275	6.2
163.14847	6.0
165.12781	9.0
166.08725	1.6
169.12273	3.5
171.13843	6.2
173.13319	3.0
175.14886	2.9
177.12802	2.0
177.16429	3.2
183.13852	3.4
189.16371	2.3
190.96251	1.8
191.18011	2.1
201.14865	5.4
203.17992	4.7
206.10448	1.4
207.17487	1.4
215.18004	4.3
216.48938	1.3
217.19455	1.9
219.21112	2.6
233.19092	4.3
237.18489	5.5
237.22153	4.6
239.20084	4.6
251.20035	16.9
259.24277	1.5
269.21124	4.0
271.24265	4.9
277.25241	21.9
289.15433	2.3
289.25269	23.2
295.26358	10.3
307.16599	3.2
307.26312	58.1
325.27438	15.6
339.96594	1.4
343.28357	3.9
357.77454	1.4
361.29440	5.1
465.72894	1.4
523.21057	2.3
529.76129	1.5
541.22247	12.3
541.29742	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	541.226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62523	0.2
58.34669	0.2
69.03428	0.5
69.07070	0.4
70.06588	0.6
71.18086	0.5
81.03390	0.3
81.07065	0.3
85.02903	0.8
91.05492	0.4
97.02872	0.5
98.20820	0.3
98.97593	0.4
109.10165	0.4
117.03405	0.4
125.09667	0.5
127.03897	0.3
133.10175	0.4
137.05957	0.3
137.31937	0.3
139.09758	0.3
145.02847	0.3
161.05855	0.4
163.11607	0.3
177.05528	1.0
238.06296	0.3
243.95065	0.3
278.84793	0.3
311.55707	0.3
335.09521	2.0
409.18036	1.2
541.22583	100.0
542.22937	1.4
558.59308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.05501	16.6
57.07066	9.3
62.00975	2.6
65.03934	3.0
67.05503	42.3
69.07062	11.0
70.06590	6.0
70.26849	9.7
71.04987	2.8
79.05495	58.0
81.07060	39.9
83.04993	3.4
86.64551	2.4
88.07629	8.3
91.05480	32.1
93.07044	51.3
95.04949	14.9
95.08617	29.4
97.06535	3.3
97.10165	3.3
102.09190	5.5
105.07030	26.5
107.04953	3.4
107.08600	20.8
109.10168	11.2
117.07040	8.8
119.08603	15.3
121.10123	14.5
123.08114	4.3
123.11753	5.3
129.06990	8.8
131.08572	10.2
133.10129	7.6
135.11691	8.5
143.08556	6.6
145.10152	11.6
147.11671	24.2
149.13242	3.5
149.88084	2.6
157.10233	2.8
159.11737	4.7
161.09648	4.0
161.13252	5.6
171.11697	15.9
185.13383	3.1
189.12820	7.1
207.13805	20.9
225.14806	3.8
256.26297	17.0
257.26743	5.3
283.26434	5.9
284.29486	3.8
311.29428	14.7
312.29825	4.5
316.78134	2.6
317.24677	2.6
325.98669	3.0
373.18152	3.0
385.76971	3.3
451.97845	2.8
508.97098	2.6
540.53589	31.3
541.29260	48.9
541.38812	100.0
541.53143	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	541.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74061	2.1
53.88547	1.7
55.01872	2.9
55.05506	6.6
57.07072	8.1
62.75036	1.9
67.05509	20.9
69.03426	5.3
69.06718	3.3
69.07068	35.9
69.47705	16.8
70.06586	1.9
71.04980	4.6
79.05489	11.0
81.07060	100.0
83.08621	8.4
85.02908	2.4
85.06558	17.9
88.04000	2.5
91.05477	5.9
93.07045	31.3
95.04977	3.2
95.08607	54.3
97.06518	8.8
97.10173	5.6
99.08091	3.3
104.05329	3.5
105.07026	12.6
107.08591	29.0
107.31742	1.8
109.06495	2.6
109.10164	38.9
111.08066	16.2
111.11697	7.1
113.05984	2.6
119.08575	9.4
120.08083	4.8
121.10147	19.7
123.11711	56.5
125.09618	2.7
127.11220	3.7
133.10135	6.2
135.11705	20.5
136.07585	5.0
137.13272	21.2
138.09134	2.1
139.11140	5.3
141.12741	2.7
145.10139	2.1
146.06395	2.3
147.04507	1.9
147.11720	10.3
149.13269	20.3
151.11198	6.2
153.12746	7.3
155.14316	2.2
159.11731	4.5
161.13289	5.3
163.14865	6.6
164.07112	8.8
165.12828	4.4
166.08749	2.9
169.12228	4.5
171.13791	4.4
172.95265	4.0
173.13228	2.0
175.14835	2.9
177.16400	4.0
182.08191	2.5
183.13887	2.0
187.13380	8.9
189.16385	4.5
191.17955	3.1
201.16489	2.6
203.17946	4.4
215.17955	3.8
221.18996	4.8
231.16824	2.2
233.19127	2.2
239.20016	16.2
253.11893	2.3
259.24088	2.5
271.24234	7.5
277.25330	12.7
289.15631	2.7
289.25269	30.7
295.26230	9.1
307.26309	61.6
325.27393	20.3
343.28372	2.9
361.29544	6.0
541.22601	24.4
541.30066	3.4
542.22449	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	540.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01882	0.4
55.05261	0.6
55.05506	8.1
56.05016	2.2
57.03431	7.0
57.07069	0.9
65.03926	1.4
67.05501	30.3
69.06718	0.5
69.07064	7.2
70.06602	0.4
70.78133	0.8
70.78495	0.7
71.04979	1.1
71.07372	9.4
71.23309	0.4
77.03905	0.4
79.05486	16.8
81.07051	26.1
83.04983	0.8
83.08624	3.3
85.06527	0.4
86.09699	54.4
86.24973	0.4
91.04962	0.6
91.05480	7.5
93.07037	16.8
93.07632	0.9
95.04972	1.9
95.08598	20.4
97.06525	0.9
97.10171	0.8
102.95965	0.4
104.10742	4.3
105.07028	4.7
107.08585	7.7
109.06519	1.0
109.10143	7.5
111.08083	0.7
117.06992	1.1
119.08577	3.0
121.10124	6.5
123.08076	0.5
123.11691	1.7
124.99963	0.4
130.76187	0.4
131.08563	2.0
133.10147	2.2
135.11703	3.7
137.13222	0.7
145.10130	1.4
146.98167	82.8
147.11658	1.1
149.13252	1.1
151.11371	0.4
159.11707	0.6
161.13268	0.7
164.99252	3.1
172.72392	0.4
173.13243	0.8
184.81047	0.3
187.14825	0.6
188.00789	3.0
240.09961	0.8
278.66757	0.4
335.25772	16.2
357.23984	8.6
437.19952	0.5
481.23239	100.0
482.23642	1.3
540.30591	65.4
541.30524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
61.02914	0.8
66.27596	0.4
67.05484	1.3
69.03416	2.5
69.07068	0.9
71.04980	1.0
71.60796	0.8
79.05483	1.6
81.03408	1.0
81.07055	4.6
82.07362	0.5
83.04993	0.7
85.02429	0.6
85.02907	8.3
85.06515	0.5
89.22629	0.6
91.05479	6.3
93.07037	2.2
93.28432	0.5
94.04173	0.7
95.04988	2.4
95.08626	3.0
96.08955	0.6
97.02891	1.4
99.04445	0.4
103.05463	1.3
105.07031	1.8
107.04942	2.0
107.08595	1.6
109.02888	0.6
109.06535	1.3
109.10149	1.4
110.10458	0.8
111.04435	0.6
115.05435	0.5
119.04951	5.4
121.02888	1.1
121.06503	1.8
121.10159	1.3
122.03621	1.0
123.11710	1.2
127.03925	1.3
128.06219	0.5
129.06998	4.0
131.04922	2.2
131.08537	0.8
133.06464	1.0
135.04375	0.5
135.08058	1.9
135.11697	2.7
137.05981	28.3
137.13255	0.8
138.61089	0.6
139.07603	0.7
143.04897	0.5
145.04930	1.0
145.06497	1.4
146.03651	0.6
147.08076	0.4
149.05951	4.4
151.03900	0.9
151.07547	34.2
157.06468	3.5
161.05988	4.3
161.09660	1.0
162.06720	0.5
163.07527	7.5
165.06967	1.0
165.09123	1.3
167.08586	3.8
172.95210	0.5
174.06741	1.8
175.07565	2.4
177.05525	0.6
177.07718	0.6
177.09070	3.4
179.08604	0.7
181.06476	0.5
181.08551	0.7
181.10056	0.6
182.07266	0.6
189.09111	13.0
193.06464	1.4
193.08487	0.5
193.10146	2.1
195.08099	6.0
197.09727	0.7
206.07294	0.7
207.08212	0.8
207.10182	2.2
209.09645	1.3
210.06746	1.1
211.07552	0.5
211.17001	1.8
212.08499	1.3
213.09239	0.4
221.06075	2.4
221.09589	2.6
223.07509	2.9
224.08243	0.9
225.05519	0.6
225.09059	3.0
227.10684	11.4
237.09126	1.2
238.06357	0.8
240.07819	1.3
249.09181	2.2
252.07925	0.8
253.08655	4.9
253.12273	6.1
255.10196	10.4
267.10223	1.6
269.08264	1.0
269.11710	1.3
272.10452	1.2
281.11758	2.6
284.10449	1.1
285.11234	7.0
287.12805	18.9
297.11261	0.6
299.12695	0.8
301.14279	0.8
306.25085	1.6
311.12787	1.0
313.14346	20.5
324.26251	0.8
331.15414	100.0
332.15741	1.1
343.15372	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	540.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03445	0.2
65.03934	0.2
69.03426	0.6
69.62874	1.1
69.63284	0.4
70.06587	0.2
71.03339	0.2
77.03965	0.2
78.42876	0.2
81.03416	0.4
81.07040	0.3
85.02886	0.4
91.05475	0.8
95.05013	0.3
95.08611	0.4
97.02889	100.0
98.03219	0.6
99.04436	0.2
100.80909	0.2
103.09715	0.2
105.07021	0.2
107.08595	0.3
109.02878	0.4
109.10170	0.2
111.04497	0.3
114.05545	0.4
119.08583	0.4
121.02867	12.8
121.06480	0.2
121.10188	0.3
125.09634	0.7
127.03951	0.5
133.02811	0.4
133.10126	0.2
137.05989	0.4
145.02887	0.3
147.04404	0.4
151.03922	1.7
161.06128	0.2
163.03889	0.5
167.07001	0.3
177.05458	0.5
185.09830	0.2
217.04967	9.0
230.01790	0.2
235.06001	7.9
242.01532	0.2
253.07062	4.8
349.20120	0.7
397.11551	0.2
490.16299	0.4
496.32278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01859	1.5
57.78291	0.4
65.03925	2.4
67.05486	0.6
70.06581	1.7
71.37876	0.9
72.08156	0.5
73.59801	0.4
75.04478	3.4
78.04701	2.1
79.05488	2.2
85.02917	2.4
89.03901	1.4
89.06031	0.7
90.09833	0.5
91.05482	12.6
93.02818	0.6
93.03407	10.8
93.07044	4.3
94.84261	0.6
95.04963	4.0
97.06519	3.0
103.05453	3.8
105.06997	1.1
106.04174	22.0
107.04943	2.0
108.05692	0.4
109.06504	1.1
111.04407	0.6
116.07079	0.8
117.03368	0.8
119.04916	1.2
121.06506	24.9
122.07296	0.8
123.04451	1.0
123.08036	0.8
124.05195	0.9
125.05977	8.1
127.03902	1.0
131.04907	1.8
133.06487	0.5
133.10094	0.5
134.03625	3.3
135.04391	0.7
135.08037	0.7
137.05949	4.4
138.06717	1.7
139.07532	1.8
145.02821	1.7
147.04340	0.6
148.05190	2.0
149.05980	37.9
151.04031	0.8
151.07524	1.4
152.08296	0.7
153.05453	1.4
153.09099	10.0
161.05959	0.5
163.03935	2.6
163.07529	1.8
165.05457	0.8
166.06247	1.1
167.07037	3.3
177.05472	22.1
181.08598	17.3
190.00713	0.5
191.07021	1.7
209.08089	100.0
210.08604	0.6
223.04218	5.9
257.31454	0.5
309.83969	0.5
312.08768	0.5
369.13229	0.8
387.14267	0.8
540.19684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.41
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22530	1.9
53.34760	1.7
55.05497	4.0
57.07072	4.8
67.05518	16.9
69.07077	12.3
71.05002	2.3
71.08632	6.5
71.60456	1.6
79.05503	3.4
81.07057	14.5
83.08627	6.0
91.05487	5.2
93.07047	7.6
94.60744	1.7
95.04974	2.6
95.08622	21.5
95.30190	1.9
97.10187	4.0
105.07043	15.1
107.08595	9.6
109.10165	48.6
117.07021	5.2
119.08582	24.1
121.10165	7.4
123.11709	3.4
125.09670	1.9
127.11262	4.8
131.08575	11.6
133.10147	7.8
135.11711	6.0
143.08708	1.9
145.10135	100.0
147.11700	7.1
149.13210	1.9
157.10162	2.2
159.11703	32.8
161.13240	5.6
173.13260	3.1
175.14761	1.8
185.13403	2.3
187.14799	2.0
188.47714	2.5
191.18015	2.7
201.16394	84.4
203.17960	2.3
217.15834	2.0
219.17424	14.8
238.51549	1.7
303.23288	5.8
313.27139	2.0
521.39001	2.4
539.26886	5.6
539.40167	14.5
539.51898	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	19.5
57.07082	27.1
67.05168	7.0
67.05501	72.0
69.07066	22.6
71.04986	8.6
71.08618	17.8
71.25142	7.2
71.25474	4.4
75.27689	3.6
79.05488	23.9
81.07049	100.0
83.08617	11.2
85.06544	5.7
91.05470	17.1
93.07035	26.2
93.21866	4.0
95.08607	91.6
97.06520	7.4
97.10145	11.4
99.08092	4.3
105.07014	11.1
107.08598	16.5
109.10150	37.7
111.08057	4.4
111.11719	6.6
119.08571	12.6
121.10148	19.9
123.11698	16.9
131.08601	8.8
133.10126	9.8
135.11688	14.2
137.09628	4.8
137.13245	9.4
145.10091	8.0
145.82045	3.7
147.11707	10.4
149.13298	8.8
151.14812	4.3
161.13261	9.4
163.11215	5.8
165.12787	4.9
167.25058	3.9
175.14883	5.4
179.14302	3.9
202.17171	4.7
211.20503	6.8
243.21091	7.2
261.22174	22.6
276.23975	4.2
279.23187	25.1
493.53900	5.5
539.46765	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.05505	11.8
57.07066	6.4
59.04986	1.9
65.03926	1.8
65.04739	1.6
67.05507	29.1
69.03415	6.0
69.07065	29.1
69.36922	5.1
69.37338	12.3
70.76249	1.8
71.04984	9.0
79.05497	16.2
81.07057	100.0
83.04970	5.9
83.08609	7.0
85.02887	6.7
85.06535	5.8
87.21330	1.5
91.05470	14.0
93.06468	2.6
93.07048	39.9
95.04969	18.2
95.08607	52.1
95.29880	1.5
96.05238	1.7
97.02871	3.1
97.06495	5.9
97.10165	4.9
99.08082	5.0
100.94569	1.7
103.05486	3.7
105.07019	22.4
107.08593	32.1
109.06512	6.8
109.10149	47.8
111.08056	8.0
111.11715	4.9
117.07047	2.9
119.08588	18.0
120.08076	2.6
121.10149	32.3
123.08059	4.8
123.11719	42.7
125.09594	3.4
127.03898	1.9
127.07591	2.4
127.11197	2.4
131.04930	5.3
131.08566	5.1
133.10136	12.7
135.08035	3.5
135.11703	22.9
137.05977	22.2
137.09586	1.9
137.13237	17.2
138.06322	5.4
139.11153	8.8
145.10095	7.5
147.11671	17.5
149.13261	8.6
151.07626	4.1
151.11166	5.2
153.12753	10.0
154.94202	4.2
157.10123	3.6
159.11700	8.6
161.05983	4.7
161.13292	8.4
163.07568	3.8
163.11200	2.5
163.14816	4.2
165.12756	7.2
167.10637	2.6
167.14200	1.7
169.12183	2.0
171.11711	2.9
171.13829	3.4
172.95210	6.6
173.13255	3.6
175.07513	7.3
175.14783	6.7
175.56653	1.8
176.07945	3.8
177.09123	4.1
177.12767	2.3
177.16420	2.6
181.04964	1.9
181.12280	2.9
183.13907	1.9
185.13393	2.6
187.13234	5.1
187.14841	4.1
188.07623	1.7
189.16394	4.8
190.96303	3.6
193.15854	2.5
199.14775	3.9
201.16389	3.8
203.18031	2.6
207.17607	2.3
213.16400	5.6
215.17989	3.5
217.19527	2.1
233.18968	2.2
243.21202	2.6
251.19974	2.5
264.19699	1.7
267.19476	2.7
268.07346	2.0
269.22647	6.3
275.23648	3.9
277.25342	2.8
287.23672	19.5
291.06610	7.2
293.24811	8.0
305.24734	42.6
309.07703	3.8
311.25922	2.6
312.13214	3.5
323.25806	33.0
341.27008	4.1
463.84399	1.9
539.19958	2.2
539.28027	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	539.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
54.36251	0.4
55.01870	0.8
55.05498	1.0
57.03432	1.1
57.07076	3.0
57.50430	0.4
67.05506	2.1
69.03429	2.0
69.07058	1.3
71.08629	2.6
71.21125	0.4
73.02904	1.9
79.05495	1.2
81.03407	1.4
81.07047	2.4
83.04977	0.6
83.08611	2.0
84.82520	0.3
85.02924	2.2
85.10169	1.0
86.09727	1.0
91.05476	0.5
93.07040	1.1
95.08602	3.3
97.02888	0.6
97.10160	0.9
98.97621	0.4
99.04470	0.7
104.10744	0.6
105.07012	1.1
109.02874	2.4
109.10154	1.7
111.04436	2.4
117.07043	0.4
119.08524	0.7
123.11726	1.0
124.99977	0.4
125.13247	0.4
127.03929	1.9
129.07016	0.5
131.08620	0.9
132.99586	1.1
133.10092	0.7
137.13286	0.4
143.08566	0.5
145.10127	0.8
151.14844	0.4
155.08644	0.4
157.10110	0.5
157.25919	0.3
159.11737	0.4
169.10107	0.5
171.11777	0.6
181.10081	0.4
183.11751	0.6
184.07292	1.9
191.00142	1.2
193.10043	0.3
195.11606	0.5
203.05249	1.0
209.01170	0.6
209.13365	0.5
223.14990	0.4
239.23663	6.4
246.03455	0.3
257.24844	0.8
259.07993	0.4
313.27234	2.4
321.22787	0.6
387.47583	0.4
429.31549	0.4
447.32654	1.0
465.33475	0.7
483.33911	0.5
503.35522	0.4
521.36084	0.5
526.90009	0.4
538.81757	1.5
539.31836	100.0
540.32159	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.4
55.01872	18.8
55.05513	22.6
57.03437	18.3
57.07077	65.5
61.02906	5.8
67.05505	30.6
69.03078	3.4
69.03432	49.3
69.07069	18.1
69.93259	12.6
71.04988	4.9
71.08629	53.4
73.02917	49.7
73.42606	2.2
75.04488	2.6
79.05492	6.9
81.03419	33.2
81.07053	40.9
83.04992	10.3
83.08614	32.3
85.02908	39.9
85.10175	32.2
86.23389	2.2
87.04504	2.4
89.06033	2.2
91.05462	4.9
93.07053	4.9
95.08609	55.3
97.02888	15.0
97.10174	17.9
99.04455	22.7
99.08110	2.2
99.11721	3.1
103.03941	6.0
104.55382	1.9
105.07030	4.3
107.08566	3.7
109.02874	57.1
109.10156	31.0
110.03665	12.9
111.04441	55.9
111.11703	3.9
113.13365	2.5
119.08553	4.8
121.10146	3.9
123.11703	15.8
124.99112	2.5
125.09602	2.7
125.13284	3.8
127.03921	32.7
132.99550	27.5
137.13260	7.3
145.10077	2.4
151.00604	9.5
151.14801	3.2
157.91850	2.5
164.98502	2.4
169.01752	3.3
172.99007	4.0
184.07343	2.0
191.00098	32.9
199.13176	3.5
209.01166	11.6
221.22626	5.7
224.08693	2.0
227.12814	3.3
239.23692	97.1
245.14066	2.7
257.24811	9.6
265.03894	4.2
298.27390	5.2
313.27393	49.7
355.28522	5.4
415.87320	2.1
539.28876	100.0
539.38831	14.0
540.29272	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	539.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01872	11.9
55.05506	10.2
57.03439	17.1
57.07076	55.8
58.39322	1.3
58.71057	1.2
59.05009	1.5
61.02924	4.0
65.03936	1.9
67.05508	22.4
69.03428	41.3
69.07064	12.2
69.66731	1.5
69.93493	5.0
69.93911	3.0
71.04984	4.9
71.08633	41.5
73.02917	44.1
75.04485	2.7
79.05512	1.6
81.03415	27.8
81.07058	28.4
83.04984	8.3
83.08621	20.6
85.02901	29.4
85.10180	25.4
85.22404	1.4
85.70029	1.5
93.07041	1.6
95.08608	41.5
97.02882	11.4
97.10178	13.2
99.04459	17.4
99.11749	2.1
103.03965	1.9
103.07586	1.7
106.98044	1.6
109.02883	53.0
109.10150	25.0
110.03683	7.6
111.04443	46.1
111.05212	2.4
111.11719	2.3
113.13269	1.5
115.03958	1.4
123.11717	9.9
125.13271	3.6
127.03915	28.5
127.04787	2.4
132.99554	22.7
137.13261	7.6
148.99101	1.8
151.00574	8.6
151.14899	2.0
165.16417	1.5
167.00139	1.8
172.99040	4.4
191.00085	29.9
209.01169	8.3
221.22705	4.2
239.23698	92.6
257.24796	9.9
265.03769	6.4
275.25949	1.7
298.27515	4.3
313.27365	40.4
355.28549	3.6
539.28815	100.0
540.29150	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	539.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99586	7.1
53.84539	7.5
55.05511	19.0
57.07078	39.6
63.05135	6.8
67.05485	32.8
69.07038	19.4
71.04971	6.8
71.08608	16.3
71.58807	14.3
77.82069	7.5
79.05476	20.6
80.03591	6.6
81.03410	12.9
81.07053	41.0
83.04996	13.3
83.08589	12.6
85.10182	14.1
86.45382	6.7
91.05476	12.1
93.07037	31.4
95.08610	33.5
97.07646	7.7
97.10138	10.2
104.10735	10.6
104.27568	7.7
105.07037	16.2
107.08582	8.6
109.10139	16.8
111.04474	7.3
114.42788	6.7
121.10126	12.5
128.06239	7.7
135.11707	12.8
139.93373	7.5
145.10049	8.0
163.11180	12.8
184.07359	9.7
227.12758	12.5
406.32651	8.9
420.45386	7.9
521.37000	9.6
539.27386	22.2
539.39459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	9.5
55.05502	36.3
57.03431	8.3
57.07069	37.7
63.69864	7.9
66.94768	9.6
67.05496	60.5
69.07054	27.7
69.35675	94.2
71.07343	9.2
71.08626	30.6
79.05489	33.1
81.03407	12.7
81.07071	67.2
83.08619	26.9
84.34341	9.6
85.10161	12.1
86.09702	27.4
88.07611	8.9
91.05487	34.1
93.07047	42.9
95.08604	59.2
97.10139	14.4
98.98488	10.8
104.10722	26.6
105.07024	27.9
107.08598	28.6
109.06521	8.6
109.10173	25.8
117.07056	10.7
119.08581	33.0
121.10161	10.2
124.99980	14.9
129.07054	11.9
131.08578	17.8
133.10109	8.5
143.08469	10.7
145.10123	16.3
157.10172	16.1
159.11716	11.4
184.07430	17.7
193.05055	11.0
213.87030	8.5
267.26785	13.6
268.27243	14.6
330.71432	9.3
341.30569	34.8
342.30920	35.5
359.31516	13.2
435.09106	9.4
539.27740	100.0
539.38782	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	539.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	5.3
60.08138	2.9
63.67450	2.8
67.05520	5.6
69.07063	3.2
71.41547	4.5
73.50207	3.1
79.05521	3.0
81.07079	4.8
83.08607	3.5
85.10184	3.1
86.09698	5.2
91.05479	3.8
93.07048	5.6
95.08617	8.8
99.06424	2.8
104.10730	10.8
105.07037	3.9
107.04936	2.9
107.08617	3.0
109.10180	3.5
119.08665	3.0
119.32939	3.5
124.99997	3.9
184.07361	11.6
227.12965	3.0
245.13776	3.3
450.14508	3.3
521.38867	7.5
539.27771	100.0
539.39368	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	539.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.9
56.03492	4.3
57.07072	28.5
64.02019	4.9
67.05504	24.3
69.03433	8.5
69.07079	19.1
70.18900	20.1
71.08629	18.9
73.30424	4.3
79.05484	18.5
81.07062	30.4
83.04982	7.0
83.08613	5.9
85.10186	14.3
87.39285	4.0
89.28558	5.0
91.05484	13.7
93.07039	20.1
95.04931	6.2
95.08593	28.2
97.06496	4.7
97.10176	6.1
104.10750	5.9
105.07030	11.5
107.08603	8.7
109.10149	13.3
111.04440	11.3
117.07013	8.5
119.08601	6.3
121.10172	8.6
131.08620	6.7
132.40292	5.2
135.11716	13.6
145.10139	8.0
153.12724	6.9
155.05885	4.6
161.35219	4.3
163.11197	16.5
173.09619	5.5
181.12282	13.9
182.24916	4.1
191.10616	9.5
209.11789	8.9
227.12761	10.9
245.13817	7.6
276.54852	5.1
283.15366	11.3
292.98944	4.9
521.37946	6.7
539.27936	52.6
539.39355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56555	2.8
55.05504	8.6
57.01913	2.9
57.06828	3.9
57.07079	47.7
61.02929	3.6
61.83727	3.0
67.05513	18.2
69.07058	11.9
69.53536	23.0
71.08629	36.4
75.04449	3.4
76.93560	2.9
79.05438	3.4
81.07063	21.7
83.08611	11.8
85.02905	6.4
85.10182	19.0
91.03987	2.9
95.08613	36.1
97.10169	12.7
99.11736	3.7
104.10775	4.7
109.10159	18.1
111.11689	3.1
123.11735	5.8
137.13240	4.2
144.33588	2.7
184.07379	5.1
267.26813	29.4
290.47299	2.8
297.87296	3.2
341.30508	100.0
359.31619	20.4
425.76083	3.2
429.32156	6.7
538.38458	4.4
539.27448	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	538.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51376	1.9
53.03957	3.6
55.01863	3.6
55.05511	16.8
57.03429	8.8
57.07063	6.6
59.04988	4.1
61.02907	2.0
62.03863	2.0
67.05505	30.3
69.03432	10.3
69.07069	37.4
69.76543	15.0
71.05000	14.3
79.05497	25.2
81.03424	3.0
81.06581	4.3
81.07059	75.0
83.04991	2.9
83.08614	11.6
85.02908	11.8
85.06524	8.4
91.05483	17.1
93.07048	67.3
95.04974	12.8
95.08610	77.2
97.02905	5.9
97.06524	13.4
97.10178	8.8
99.08099	6.6
101.64100	2.2
105.07023	29.4
105.07672	2.5
107.08596	48.4
109.02888	3.3
109.06529	10.4
109.09457	4.3
109.10160	50.4
111.08089	14.9
111.11691	5.4
117.07069	2.3
119.08578	24.8
121.10146	50.7
122.10479	2.4
123.08072	7.0
123.11711	37.7
125.09637	9.6
127.03914	5.3
127.07588	2.5
127.11139	4.9
131.08582	9.7
133.10135	25.5
135.08060	3.6
135.11702	26.2
137.05984	5.2
137.09634	5.5
137.13268	10.1
138.54688	2.0
139.11194	12.0
142.17007	2.1
145.10155	14.3
147.11696	23.4
149.09650	5.0
149.13263	29.7
151.11198	5.5
153.12772	4.0
159.11716	12.6
161.13280	9.4
163.03937	5.8
163.11137	5.2
163.14876	3.6
165.12758	7.9
167.07083	2.7
167.10706	13.6
171.11659	2.3
173.13280	6.1
174.13620	2.4
175.14859	6.5
177.12717	3.1
177.16444	3.4
179.03348	2.5
181.12262	2.4
187.14886	4.0
189.16382	5.1
201.16467	8.7
203.17969	5.8
207.17540	2.3
213.16367	2.2
215.17966	4.4
217.19464	2.3
231.17474	3.2
243.21188	4.1
257.22763	4.0
259.24298	2.6
261.22260	3.1
269.22647	9.8
275.23895	5.4
287.23669	28.6
293.24728	27.6
299.15106	2.5
302.63623	2.6
305.24731	100.0
306.25336	2.9
311.25797	4.3
322.24704	4.0
323.22031	3.8
323.25839	73.0
341.26895	4.2
393.22348	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.9
55.01867	3.3
55.05505	16.7
57.03435	5.3
57.07056	6.7
59.04988	3.6
65.31249	2.2
67.05500	26.7
69.03428	11.4
69.07066	63.5
70.01646	9.7
70.62017	2.1
71.04984	6.2
71.08623	3.8
79.05497	27.6
79.36127	1.8
81.03418	2.8
81.07057	85.9
83.04970	6.4
83.08613	12.1
85.02888	5.7
85.06542	5.2
91.05473	21.4
93.07040	86.2
95.04956	20.6
95.08603	77.1
95.35746	2.3
97.02883	4.2
97.06529	8.7
97.10168	6.2
98.20693	1.9
99.08071	6.0
105.07037	24.2
107.08589	37.5
109.06508	11.0
109.10153	42.1
110.61537	1.8
111.08069	7.8
111.11707	8.8
117.07059	2.3
119.08575	14.9
121.06485	4.3
121.10147	76.2
121.11037	3.8
123.08042	8.4
123.11699	37.4
125.09640	9.9
127.03872	2.4
129.11261	2.1
131.08554	10.1
133.10115	21.7
135.08014	2.3
135.11681	18.6
137.05974	3.0
137.09607	6.6
137.13234	13.2
139.11174	19.8
145.10123	8.7
147.11699	13.3
147.17628	2.5
149.09641	13.4
149.13246	8.2
150.05510	4.4
151.11153	11.7
151.14828	2.9
153.12735	5.0
155.10750	2.8
157.10118	8.8
159.11697	7.5
161.13223	5.3
163.11208	3.4
163.14725	5.3
165.12624	2.4
167.10677	40.4
168.59407	2.0
169.12297	3.8
171.11684	3.6
172.24631	2.3
173.13240	5.1
175.11198	3.5
175.14836	4.4
177.12689	2.5
177.16431	4.6
178.46629	2.0
179.10751	4.2
181.12206	3.2
185.11742	3.0
187.14905	2.8
189.16412	3.9
194.15079	1.9
195.13913	3.4
197.11758	7.2
199.14818	3.0
201.16460	2.8
203.14209	2.4
203.17970	3.3
205.16003	2.2
207.17461	4.2
213.16376	3.5
217.19667	2.8
219.17468	2.3
229.19420	3.1
231.17294	2.1
243.21091	4.8
259.24155	5.0
261.22107	3.2
269.22626	9.2
275.23773	4.8
287.23724	34.0
293.24719	10.1
305.24719	82.1
323.25812	100.0
403.47369	2.2
468.54913	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01870	3.4
55.05506	7.8
57.03434	4.5
57.03668	0.7
57.07069	5.4
59.05009	1.4
67.05502	6.0
69.03421	2.2
69.07067	55.8
69.34675	8.1
70.04848	0.7
71.04990	3.6
71.08632	1.6
73.02911	2.1
77.36314	0.7
79.00005	0.9
79.05503	6.3
81.07049	11.2
81.73959	0.8
83.04988	4.6
83.08618	9.7
85.02888	4.1
85.06538	1.2
87.08102	1.5
93.07039	16.3
95.08606	15.6
97.06537	19.2
98.20744	1.5
101.06030	1.8
105.62660	0.8
107.08597	15.8
109.10146	8.2
111.08098	4.7
111.11705	8.0
115.07584	1.7
119.08494	0.8
125.13287	1.3
135.11691	55.2
153.12743	90.8
171.13799	100.0
172.14139	0.9
172.74260	0.9
189.14865	26.3
212.16533	1.8
298.33279	0.8
323.25751	1.3
341.26862	7.5
359.27972	4.4
538.30603	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	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.05510	10.2
56.73972	4.6
57.03428	20.5
58.06595	6.3
60.08180	25.5
60.08427	4.7
61.02908	5.4
63.19323	5.0
67.05494	12.9
69.03427	60.4
69.07053	17.1
70.06599	11.0
70.73199	18.0
71.04992	9.8
72.08176	6.7
73.02909	4.7
74.06088	4.2
79.05499	13.1
81.03405	25.9
81.07045	22.2
83.04974	16.5
83.08623	7.1
84.04520	10.2
85.02907	77.8
85.06525	6.1
86.09705	84.5
87.00815	17.7
87.04485	31.0
91.05472	36.6
93.07053	26.9
95.04977	32.8
95.08584	19.1
97.02892	76.6
97.06541	10.1
98.97600	6.1
99.04447	22.1
102.09177	13.5
103.05476	26.5
105.01862	17.4
105.07018	21.4
107.08599	35.8
108.73673	4.5
109.02856	19.2
109.06507	20.8
109.10154	26.3
110.03314	5.5
111.08098	10.7
112.59967	4.9
115.03939	50.7
119.04914	13.1
119.08564	19.2
120.08122	38.4
121.06495	6.1
121.10148	36.8
123.08089	9.6
123.11674	10.4
125.09630	9.3
127.03915	35.5
130.06477	5.0
131.04942	96.2
131.08557	28.9
133.04967	37.0
133.10130	63.6
135.08002	8.5
135.11699	18.1
137.05966	19.2
137.09538	5.2
139.11183	5.2
143.08511	6.1
144.10196	33.0
145.02849	7.7
145.05020	11.1
145.06264	7.0
145.10118	15.3
147.04414	52.7
147.08029	7.0
147.11697	18.8
148.04758	6.1
149.09650	8.8
149.13246	18.1
153.09044	11.6
159.11646	8.4
161.05952	8.8
161.09651	5.1
161.13263	14.1
162.06664	5.7
163.07451	6.2
163.14812	10.1
165.12657	5.9
167.07047	10.3
172.07668	5.1
173.13249	43.2
175.14809	8.3
177.05391	10.9
177.16434	8.9
191.14290	56.7
201.16444	6.1
209.11772	19.0
209.15387	100.0
213.11003	8.4
227.16423	44.6
231.05040	6.4
235.10890	29.7
237.02965	6.6
263.10297	38.1
329.10059	5.8
334.78384	4.8
467.22662	6.7
494.20181	38.5
538.18964	42.5
539.17664	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	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
53.53416	1.8
55.01878	2.1
55.05505	9.2
57.03444	12.8
57.07071	2.4
58.06585	2.3
59.05009	3.3
60.08148	6.5
61.02900	1.7
64.43824	1.6
65.03934	3.0
67.05504	11.7
69.03082	3.0
69.03432	38.5
69.07072	8.5
70.06590	3.6
71.04988	3.6
71.60361	3.6
72.08149	3.2
72.92456	1.7
73.02911	2.2
79.05482	6.9
79.08126	1.6
79.64571	1.4
81.03411	4.9
81.07066	22.5
83.04984	33.0
83.08637	8.2
85.02908	26.8
85.06541	4.9
85.35375	1.7
87.04477	21.7
91.05483	9.1
93.07051	18.5
95.04974	41.0
95.08602	16.3
97.02896	34.9
97.06552	10.1
97.10169	1.8
99.04465	8.1
99.08009	2.1
102.09165	5.3
103.05460	5.2
105.07033	18.5
107.05020	2.1
107.08607	28.3
109.02861	2.1
109.06526	32.6
109.09451	2.9
109.10160	32.9
111.04474	2.1
111.08073	6.4
113.09657	2.1
115.03937	32.1
115.07568	3.4
118.13233	1.5
119.08609	14.3
120.08108	1.9
121.06532	2.9
121.10150	30.0
123.08075	6.4
123.11761	8.7
125.09604	9.1
127.03917	8.2
131.04942	23.0
131.08565	12.5
133.04977	32.8
133.10138	53.8
135.08051	11.8
135.11707	10.6
136.07602	2.7
137.05951	4.7
137.09630	3.0
137.38329	1.6
139.11150	9.9
143.08611	2.9
144.10205	7.8
145.04922	4.3
145.10098	7.9
147.04401	2.0
147.11679	8.5
149.06004	2.7
149.09573	3.2
149.13297	19.7
150.07585	3.0
151.11229	9.4
153.09100	19.0
158.10942	5.3
163.11168	2.0
163.14868	10.4
165.12769	3.1
167.14305	13.9
171.10162	3.7
173.13274	43.6
175.14868	2.7
181.15891	2.1
191.12659	3.6
191.14325	58.3
191.16055	3.3
193.15681	2.6
209.15379	100.0
227.16437	27.2
232.07059	3.1
295.10123	1.8
341.19440	2.3
353.19431	3.6
371.20367	2.5
418.38760	1.7
492.23016	2.0
494.20169	7.5
508.51181	1.7
538.18695	10.6
539.17841	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	538.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01862	4.5
55.05506	5.6
56.96542	1.4
57.03443	8.2
58.57721	1.2
59.30588	1.4
65.03955	1.5
66.16794	1.4
67.05505	8.9
67.08286	1.2
67.62501	1.3
69.03422	4.6
69.07082	7.4
70.06586	3.8
71.04986	4.5
73.02917	1.7
79.05493	10.9
81.03420	2.9
81.07064	22.2
83.01096	2.3
83.04988	6.6
83.08635	3.3
84.04498	2.1
84.90071	1.2
85.02887	7.1
85.06514	4.2
86.09701	2.4
87.00813	2.8
91.05440	8.9
93.07039	30.5
95.01302	3.9
95.04977	6.9
95.08611	11.1
97.02903	6.8
97.06524	8.8
98.97591	2.9
99.04439	4.1
101.05946	1.3
103.03940	2.3
103.05480	2.9
105.07037	23.3
107.04923	1.4
107.08592	23.0
109.02889	1.7
109.06521	8.1
109.10155	11.1
111.04423	1.8
111.08083	5.0
113.02187	2.9
113.06031	2.1
115.05466	1.4
116.98637	2.8
117.05487	4.9
117.07001	2.4
119.04932	1.7
119.08580	16.9
120.08062	1.9
121.06517	9.0
121.10139	7.2
123.08058	6.5
123.11723	6.4
125.05956	4.2
125.94749	1.1
126.02889	1.3
126.49175	1.3
127.03929	8.5
127.07526	5.3
128.04205	1.6
129.05487	7.2
129.07007	2.0
130.87633	1.3
131.04961	7.8
131.08545	3.9
132.05281	3.0
133.06517	2.3
133.10126	10.2
135.08008	7.4
135.11690	2.2
137.05971	11.0
137.09616	3.1
137.13283	1.9
138.06346	3.4
139.07530	8.0
141.01801	5.3
143.07072	3.2
143.08455	2.1
145.02869	1.6
145.10117	6.0
147.04398	2.4
147.08044	2.8
147.11694	46.0
149.13275	4.2
151.07567	2.9
155.06982	1.9
157.08606	4.0
157.10158	6.2
159.11592	1.4
161.01285	1.4
161.04489	2.0
161.13293	5.6
163.03854	6.3
163.07469	3.1
163.14825	1.9
164.04222	2.3
165.12770	30.3
167.06978	1.9
167.14345	1.4
171.11700	6.6
175.11176	13.7
177.05536	1.5
183.13809	2.3
185.04103	1.4
185.11803	1.4
189.12711	9.5
191.14304	2.3
193.12256	15.1
199.11185	4.8
207.13783	6.4
209.15370	4.1
211.13261	2.3
217.12244	14.1
221.99323	1.3
229.14244	6.2
229.63153	1.5
235.13324	15.0
237.18506	3.3
253.14320	20.5
253.16806	1.8
255.72873	1.4
271.15335	3.8
309.16931	13.4
315.69168	1.5
322.24515	1.4
327.18030	100.0
345.19199	1.6
411.16980	1.4
429.17850	2.2
485.20206	2.8
503.21216	13.9
538.27155	20.3
539.29462	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21379	3.8
55.05505	20.0
57.07073	25.5
63.50068	4.2
65.03934	5.5
67.05504	90.6
69.07062	20.5
70.59499	14.8
71.05002	19.8
71.08618	21.0
72.51585	4.2
73.04749	3.9
79.05496	62.8
81.07060	100.0
83.08607	12.4
85.06554	23.7
85.10201	6.3
91.05438	37.8
93.07041	71.3
95.04983	4.1
95.08612	68.7
97.06520	11.3
97.10177	6.1
99.08079	26.7
105.07004	25.8
106.96099	3.6
107.08591	49.6
109.06532	3.5
109.10157	26.5
111.08054	7.4
117.06991	7.2
119.08591	20.8
121.10139	70.7
123.11712	6.8
125.09604	5.4
131.08569	15.8
133.10117	22.8
135.11693	71.4
145.10106	14.3
147.11688	17.2
149.13252	24.0
151.11133	5.0
157.10117	5.3
159.11693	12.5
161.13255	11.6
163.11183	9.5
163.14799	7.5
167.05524	7.5
171.11691	5.4
173.13263	13.5
175.14842	6.9
177.12737	9.8
185.13206	5.4
197.05402	3.7
209.15331	4.4
241.19539	7.3
259.20593	14.5
277.21603	25.9
291.23129	21.4
299.06183	8.4
300.06152	7.9
301.05865	4.0
308.32458	4.1
309.24368	13.8
321.16730	3.8
332.03928	5.0
521.82050	4.1
537.45306	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3942
Annotation	hyperforin
Peak:m/z	Relative Intensity
55.05502	11.4
57.07062	5.8
67.05500	20.6
69.07073	18.9
69.50518	2.2
71.08650	3.8
71.60802	5.4
79.05495	11.6
81.07051	26.7
83.04981	2.5
83.08630	7.1
91.05482	10.3
93.07064	19.1
95.05003	3.9
95.08602	31.7
97.10186	3.7
105.07043	17.3
107.08591	29.4
109.10155	40.2
117.07027	6.4
119.08567	23.3
121.10147	22.3
123.08006	3.6
123.11693	15.3
131.08583	9.4
133.10135	14.7
135.08046	3.1
135.11720	11.4
137.09604	8.6
137.13271	6.5
142.26003	2.4
142.38257	2.3
143.08585	3.0
145.10149	10.0
147.11670	6.9
149.09695	3.0
149.13297	10.5
157.10123	4.0
159.11685	7.2
161.13245	8.6
163.07693	3.1
163.14893	8.5
169.10211	2.9
169.55789	2.7
171.11673	3.6
173.13283	5.1
175.11311	3.0
175.14806	2.6
177.16408	5.5
185.13391	3.4
187.11150	3.3
187.14857	5.2
189.16383	4.8
199.14830	4.5
201.16368	4.4
205.15852	3.1
229.12410	3.4
239.85530	2.4
256.22180	2.6
326.43832	2.6
395.25790	8.6
409.27368	3.2
438.11960	3.1
449.30508	5.6
463.17441	2.8
463.31976	15.5
466.12106	2.9
519.38367	100.0
537.39166	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.05513	19.6
57.07071	5.9
59.04996	9.0
65.03931	3.7
67.05506	35.8
69.03429	12.8
69.07075	23.9
70.71532	3.4
71.04993	10.5
71.59725	3.8
79.05493	30.5
81.03414	6.8
81.07056	100.0
83.04969	10.1
83.08619	15.4
83.65379	2.5
85.02901	10.5
85.06529	5.5
91.05465	26.3
93.07044	69.6
95.04970	11.9
95.08611	96.2
97.02892	6.4
97.06540	14.7
97.10170	9.3
99.04460	4.6
99.08118	3.1
103.05437	3.3
105.07034	47.6
105.07684	4.5
107.04966	4.0
107.08595	60.8
108.98222	2.2
109.02882	4.2
109.06525	11.0
109.09454	5.0
109.10159	55.2
111.08095	15.6
111.11729	4.4
111.76386	2.4
113.09669	4.4
117.03445	3.6
117.07034	7.3
119.08584	41.0
121.10146	51.7
121.19160	2.7
123.08073	9.1
123.11705	22.1
125.09647	11.6
127.03920	12.1
127.07578	2.7
128.69966	2.7
130.97897	2.9
131.04950	5.9
131.08589	19.3
133.06549	3.9
133.10133	65.0
135.08058	5.3
135.11690	27.2
137.05969	18.8
137.09613	15.7
137.13269	5.1
139.07491	3.9
139.11185	11.1
141.09132	3.7
143.08571	7.8
145.02841	4.0
145.10109	23.0
147.04321	4.9
147.11700	27.6
149.09659	3.1
149.13245	21.6
151.11220	12.7
153.12788	3.6
155.10664	8.3
157.10121	14.2
159.11693	22.2
161.05977	4.7
161.09665	3.1
161.13240	15.0
163.03958	11.5
163.07672	2.9
163.11198	5.5
163.14818	8.6
164.07086	2.6
165.12791	4.8
167.07076	6.1
169.12312	3.9
171.11684	15.7
173.13220	8.0
175.07578	4.3
175.11223	3.4
175.14824	7.7
176.70384	3.2
185.13246	5.4
187.07462	3.2
187.14845	17.9
189.16396	22.1
191.18002	3.9
193.04945	18.6
199.14859	4.3
201.16382	12.0
203.14366	2.6
203.17937	13.6
205.15912	4.8
207.17461	3.1
213.16411	18.1
215.18007	16.7
217.19543	6.5
219.17502	4.4
221.19012	8.0
227.17952	15.3
231.17477	14.8
233.18964	8.8
237.18626	8.0
245.19014	9.3
249.18541	36.9
251.20110	30.1
263.20126	15.5
267.19550	6.3
269.21048	2.6
281.21097	19.4
282.15860	2.9
285.22162	4.6
291.23401	3.2
303.23209	13.6
303.49539	2.7
309.11203	4.3
309.24167	13.0
321.11395	3.8
321.24292	19.1
326.17178	2.9
339.25293	14.9
447.25177	4.8
471.52475	2.8
537.26526	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	537.3272
Annotation	glas#24
Peak:m/z	Relative Intensity
53.03952	2.8
55.01856	2.2
55.05519	11.7
57.03421	3.3
57.07067	5.2
65.03951	3.3
67.05508	30.6
69.03421	9.5
69.07072	27.9
69.12911	2.1
70.80553	2.8
70.80896	6.2
71.04996	4.8
72.31055	2.5
79.05491	19.9
81.03403	3.4
81.07057	100.0
83.04985	5.3
83.08613	5.6
83.76384	2.0
85.02893	6.2
85.06540	8.2
91.05480	12.7
93.07042	61.7
95.04963	12.3
95.08604	42.5
97.02891	3.2
97.06512	4.0
97.10170	5.9
99.08079	3.5
105.07039	19.7
107.08591	29.8
109.06506	9.6
109.10161	43.3
111.08091	6.6
119.08585	20.3
121.06482	2.6
121.10142	54.6
123.08058	3.9
123.11712	52.3
125.09624	5.4
127.03932	4.1
127.11223	3.9
131.08565	8.7
133.10114	13.8
135.08052	4.8
135.11710	17.2
137.05977	18.0
137.09627	9.2
137.13258	8.6
139.11195	13.3
145.10139	10.0
147.04466	2.7
147.11699	12.3
149.09708	5.1
149.13275	8.5
151.11166	6.7
153.12782	5.5
155.10677	2.6
157.10115	2.9
159.11690	7.1
161.06078	3.9
161.09631	2.5
161.13264	3.7
163.03862	3.6
163.11172	8.4
163.14848	3.7
165.12750	8.7
167.07072	2.5
167.10770	11.0
169.12201	2.8
171.11664	2.7
172.95258	3.1
173.13260	3.3
175.07544	3.4
175.11176	3.5
175.14806	3.9
177.12704	3.9
177.16379	2.7
181.12311	2.5
187.13359	6.3
187.14845	2.7
201.16380	2.8
215.18251	2.9
218.03893	2.4
223.93105	2.5
257.22668	3.3
259.20526	4.9
267.21045	3.9
275.23755	5.3
277.21640	31.3
285.22000	10.6
303.23199	37.4
309.07599	2.7
309.24249	3.0
321.24243	55.3
339.25275	8.5
367.11438	2.7
396.80927	2.5
452.74860	2.2
500.08163	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20341	1.8
53.03956	3.0
55.01866	3.3
55.05507	10.7
57.03440	4.8
57.07082	6.3
65.03933	2.4
67.05505	26.3
69.03421	10.0
69.07064	26.5
70.99554	6.7
71.04988	8.0
79.05489	20.7
81.03397	2.9
81.07060	100.0
83.04982	4.5
83.08620	5.6
84.72614	1.8
85.02911	8.8
85.06543	9.2
88.21272	1.8
91.05457	10.6
93.07045	53.7
95.04967	11.4
95.08607	51.8
95.21023	1.9
97.02886	4.9
97.06544	9.6
97.10185	3.3
99.04506	2.3
99.08098	4.9
103.05446	2.6
104.05352	2.2
105.07031	20.7
107.04914	2.4
107.08601	31.5
108.91985	2.1
109.02928	2.9
109.06519	8.8
109.09459	4.1
109.10157	45.5
111.08076	8.3
111.11709	3.2
113.09673	2.3
117.07047	4.9
119.04977	3.1
119.08572	18.4
121.06513	5.2
121.09307	4.1
121.10150	61.7
123.04451	2.4
123.08054	4.4
123.11707	51.6
125.09661	5.3
127.03899	7.9
127.11237	3.2
131.04922	5.4
131.08600	9.8
133.10147	12.9
135.04416	2.7
135.08047	6.9
135.11691	29.1
137.05975	21.8
137.09601	10.3
137.13217	10.5
139.11177	12.0
143.08566	3.8
145.02805	2.7
145.05052	2.4
145.10141	14.6
147.08000	3.0
147.11676	14.1
149.09627	5.4
149.13280	7.3
151.11194	5.7
153.12700	6.3
155.10654	3.7
157.10107	4.2
159.11665	13.1
161.09616	3.0
161.13239	4.6
163.03902	7.9
163.11201	7.6
163.14844	4.9
165.12762	5.7
167.07031	5.2
167.10683	12.1
169.12323	4.0
171.11742	2.3
172.95229	5.5
173.11928	2.4
173.13290	4.1
175.07547	4.0
175.11226	2.2
175.14871	3.4
177.12791	2.7
183.10225	2.1
185.13329	4.6
187.07513	3.2
187.13278	6.1
187.14861	5.2
190.96284	3.7
195.10025	3.1
196.10614	3.1
199.14850	4.5
201.05489	4.0
201.16357	3.1
205.15839	3.3
209.15384	3.1
215.14027	2.0
215.17839	2.1
219.17403	2.7
229.13368	2.2
257.12863	6.7
257.22723	4.5
259.20490	4.2
267.21188	5.4
273.22031	2.3
275.23758	7.0
277.21613	30.6
280.26242	2.2
285.22195	14.4
291.06668	2.8
303.13480	7.3
303.23193	46.2
309.07492	2.3
309.24252	5.7
321.24258	68.5
339.25330	9.1
341.40311	2.0
367.11819	5.8
537.20422	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	537.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01856	2.2
55.05519	11.7
57.03421	3.3
57.07067	5.2
65.03951	3.3
67.05508	30.6
69.03421	9.5
69.07072	27.9
69.12911	2.1
70.80553	2.8
70.80896	6.2
71.04996	4.8
72.31055	2.5
79.05491	19.9
81.03403	3.4
81.07057	100.0
83.04985	5.3
83.08613	5.6
83.76384	2.0
85.02893	6.2
85.06540	8.2
91.05480	12.7
93.07042	61.7
95.04963	12.3
95.08604	42.5
97.02891	3.2
97.06512	4.0
97.10170	5.9
99.08079	3.5
105.07039	19.7
107.08591	29.8
109.06506	9.6
109.10161	43.3
111.08091	6.6
119.08585	20.3
121.06482	2.6
121.10142	54.6
123.08058	3.9
123.11712	52.3
125.09624	5.4
127.03932	4.1
127.11223	3.9
131.08565	8.7
133.10114	13.8
135.08052	4.8
135.11710	17.2
137.05977	18.0
137.09627	9.2
137.13258	8.6
139.11195	13.3
145.10139	10.0
147.04466	2.7
147.11699	12.3
149.09708	5.1
149.13275	8.5
151.11166	6.7
153.12782	5.5
155.10677	2.6
157.10115	2.9
159.11690	7.1
161.06078	3.9
161.09631	2.5
161.13264	3.7
163.03862	3.6
163.11172	8.4
163.14848	3.7
165.12750	8.7
167.07072	2.5
167.10770	11.0
169.12201	2.8
171.11664	2.7
172.95258	3.1
173.13260	3.3
175.07544	3.4
175.11176	3.5
175.14806	3.9
177.12704	3.9
177.16379	2.7
181.12311	2.5
187.13359	6.3
187.14845	2.7
201.16380	2.8
215.18251	2.9
218.03893	2.4
223.93105	2.5
257.22668	3.3
259.20526	4.9
267.21045	3.9
275.23755	5.3
277.21640	31.3
285.22000	10.6
303.23199	37.4
309.07599	2.7
309.24249	3.0
321.24243	55.3
339.25275	8.5
367.11438	2.7
396.80927	2.5
452.74860	2.2
500.08163	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3031
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
61.31443	0.3
71.38176	0.5
71.38512	0.4
84.41259	0.3
128.26459	0.3
139.47484	0.3
159.60997	0.3
185.04164	0.7
220.88846	0.3
287.88461	0.3
301.20239	0.7
537.30383	100.0
538.30640	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	18.8
55.16743	5.7
57.07076	14.3
57.53223	6.0
58.22284	6.0
60.15168	5.6
60.91440	5.4
61.92645	5.9
67.05499	23.1
69.07072	11.8
69.62415	22.1
69.62840	27.8
71.08635	8.4
72.70171	5.6
74.65969	5.9
76.85880	7.2
79.05505	11.1
81.07060	13.1
83.08584	11.8
85.10220	7.4
91.05476	15.8
93.07059	15.6
95.04954	7.8
95.08595	11.4
97.10163	7.1
98.20746	9.2
105.07019	15.2
107.08592	6.7
119.08573	11.4
121.10133	10.4
133.10149	12.4
155.98187	6.4
163.05122	6.5
163.11201	9.4
203.18016	11.7
283.75143	6.8
455.65570	6.9
537.26233	100.0
537.37634	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01863	1.1
55.05531	0.3
57.03431	0.6
59.53449	0.3
60.04537	0.3
61.02918	0.9
63.83047	0.3
65.93739	0.3
68.99794	0.4
69.03438	2.8
71.04998	0.4
71.58752	0.5
73.02915	0.9
81.03424	2.7
85.02909	9.3
87.00821	1.5
93.07033	0.6
97.02902	2.9
99.04456	1.2
105.01864	1.9
109.02887	3.3
111.04343	0.3
117.01808	0.4
127.03922	100.0
129.01837	0.3
131.04962	0.4
135.11702	0.6
137.06006	0.9
145.04979	3.5
145.06087	0.4
145.06560	0.4
147.02866	0.4
147.04439	0.9
153.05502	0.3
153.12752	0.3
159.02896	2.4
163.03848	0.3
163.07471	0.3
177.05551	0.8
205.08646	0.4
213.03922	0.6
231.05063	1.8
253.67375	0.3
357.13321	0.9
375.09235	5.4
403.42313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
53.03941	0.8
55.01855	0.2
55.05515	1.4
57.03417	0.5
57.07067	0.2
67.05179	0.2
67.05510	3.3
68.70480	0.2
69.03439	2.1
69.07066	1.2
69.83986	1.1
71.04992	1.3
73.02929	0.2
77.03928	0.2
79.05497	2.4
81.03424	4.3
81.07064	6.3
83.04988	0.9
83.08635	0.9
85.02927	1.4
85.06529	0.8
89.03920	0.3
91.05478	2.3
93.07050	2.1
95.04971	0.5
95.08614	6.5
97.02894	1.9
97.06538	1.6
97.10186	0.4
99.04436	0.5
99.08090	0.7
105.03400	0.5
105.07046	2.2
107.08589	1.3
108.47263	0.2
109.02872	2.4
109.06528	0.5
109.10164	0.9
111.04455	0.4
111.08047	0.5
111.16121	0.2
113.09686	0.2
117.03352	0.4
117.06995	0.4
118.40308	0.2
119.08573	3.2
121.06521	0.3
121.10135	0.9
123.04436	8.1
123.08080	0.4
127.03924	3.1
129.06993	0.2
131.08580	0.4
133.02866	7.6
133.06540	0.3
133.10158	2.0
135.04437	1.4
135.08055	0.4
135.11703	1.1
137.05841	0.2
137.09633	0.4
137.13252	0.7
145.04961	0.3
145.10091	0.2
147.07974	0.2
147.11684	0.2
149.13283	0.4
151.03903	3.2
151.07535	0.5
159.11737	0.4
161.11969	0.4
161.13272	4.9
163.03880	0.2
173.11670	0.2
173.13132	0.2
177.12787	0.5
179.03406	100.0
179.14307	4.4
180.03687	1.0
191.14296	0.2
195.13820	0.6
197.15363	1.8
213.14908	0.2
215.16304	0.3
217.05238	0.2
219.13948	0.2
223.94742	0.2
245.15459	0.3
263.16385	0.2
287.16342	1.0
293.17703	0.3
305.17499	1.6
323.18533	3.6
341.19644	1.5
359.20599	0.3
441.21762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
56.16575	0.3
62.04458	0.4
62.61972	0.3
67.01866	0.6
67.05528	0.5
67.78850	0.3
69.03414	2.9
69.88346	1.8
71.04998	0.6
74.28004	0.3
79.05502	1.1
80.51486	0.3
81.03418	4.7
85.02911	2.5
87.00821	0.7
87.02301	0.3
89.03924	4.9
93.07034	0.4
95.05002	0.7
95.08573	0.5
97.02891	4.7
99.04465	1.0
107.04968	2.0
109.02878	8.7
109.10167	0.5
117.03384	6.6
121.10201	0.4
125.05884	0.4
127.03922	65.7
128.04346	0.7
135.04420	16.6
137.05991	0.9
145.02864	10.8
145.04002	0.7
151.03903	0.9
163.03908	100.0
164.04233	1.1
177.30154	0.3
181.04956	4.8
227.07190	0.3
231.04970	0.3
232.07039	1.0
232.18718	0.3
253.28383	0.3
271.05890	0.5
289.07007	0.5
307.08118	2.0
327.10309	0.4
357.13165	0.4
366.26898	0.4
393.08087	1.4
411.09244	15.9
412.09125	0.7
503.29825	0.4
537.19354	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	536.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03191	0.2
55.05484	0.4
56.05013	0.5
57.07052	0.3
58.06591	0.4
60.07877	0.4
60.08162	5.7
67.05502	0.5
69.67436	1.3
69.67855	0.5
71.07376	2.5
81.07058	0.5
83.08636	0.3
86.09707	27.0
86.49544	0.2
94.74339	0.3
95.08607	0.5
98.98464	2.8
104.10741	2.4
109.10137	0.4
125.00006	18.0
142.78148	0.2
143.01070	0.4
148.13332	0.2
152.48976	0.2
155.01109	0.3
162.18080	0.3
165.73151	0.3
166.02708	0.3
167.05618	0.3
184.07343	100.0
185.07635	0.4
292.06979	0.2
299.06033	0.5
386.93991	0.3
518.36279	1.2
536.37207	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	536.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	30.4
57.03445	6.9
57.07077	18.2
60.08155	9.1
64.63287	3.4
67.05503	35.3
69.07069	49.1
70.85258	4.5
70.85590	8.6
71.08617	12.5
77.67398	3.4
79.05491	14.7
81.07058	45.4
83.04992	4.4
83.08614	34.8
85.02892	5.5
85.10204	4.4
86.09708	32.6
86.45350	2.9
93.07040	25.5
94.73692	3.4
95.04964	3.1
95.08614	41.4
96.73843	3.4
97.06522	9.1
97.10166	23.7
104.10738	47.5
104.11409	4.6
107.08591	22.4
109.10155	13.6
111.08098	5.9
111.11728	8.4
117.65249	3.2
121.10154	31.4
123.11729	8.2
125.00002	18.5
125.09615	5.2
135.11684	29.2
139.11162	3.4
149.13268	12.7
159.01244	3.2
163.14847	6.7
165.16362	4.3
169.29955	3.1
184.07346	62.9
236.94873	3.7
247.24199	42.6
265.25253	100.0
283.26135	19.8
299.88925	3.8
316.13083	4.0
339.28949	99.4
340.29324	3.8
357.30035	35.8
437.22931	32.0
501.34164	4.2
511.62881	3.6
536.36835	31.0
537.28241	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
56.05030	0.8
56.98277	0.2
58.06602	0.4
59.07389	0.2
60.08160	7.5
67.05505	1.0
67.08904	0.2
69.07069	0.6
70.06600	0.2
71.07374	2.8
71.60091	0.3
79.05482	0.5
81.07046	0.6
86.09702	32.5
91.05431	0.3
93.07047	0.5
95.08602	0.3
98.98446	2.7
104.10740	16.8
105.07058	0.3
109.10172	0.5
119.08549	0.2
124.99998	20.7
128.21570	0.2
131.08577	0.3
142.67981	0.2
143.01030	0.5
153.95753	0.2
154.17529	0.2
159.11688	0.2
159.65622	0.2
163.03838	0.2
166.02689	0.2
167.05585	0.3
184.07330	100.0
185.07683	0.6
258.11206	0.5
299.06323	0.6
375.62579	0.2
477.05908	0.2
518.32373	2.7
536.33459	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	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05024	0.5
57.03428	0.2
57.50943	0.1
58.06628	0.5
60.08161	5.9
67.05489	0.5
69.07060	0.2
71.07369	2.7
71.33747	0.3
79.05492	0.3
81.07038	0.4
86.09700	30.0
87.10058	0.2
91.05813	0.2
93.07054	0.4
95.08589	0.4
98.98460	2.7
104.10736	4.1
105.06998	0.2
107.08624	0.3
109.10123	0.3
124.99997	20.0
127.03905	0.1
136.06215	0.2
139.63232	0.1
143.01033	0.5
154.17775	0.1
163.03853	0.2
166.02667	0.2
184.07329	100.0
185.07628	0.4
209.51921	0.1
258.11078	0.3
299.06055	0.4
302.73495	0.1
500.29825	0.1
518.32336	1.7
536.33606	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	536.335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50661	0.3
55.05502	0.6
56.05028	0.5
56.96568	0.4
57.03436	0.3
58.06588	0.7
60.08161	8.2
67.05506	1.8
67.87334	0.3
69.03408	0.7
69.07058	0.5
69.56126	2.1
71.07368	3.1
79.05473	0.9
81.07050	1.6
83.04960	0.3
83.29784	0.3
84.04502	0.4
85.02877	0.6
86.09704	31.7
87.10037	0.4
91.05849	0.3
93.07024	1.1
95.04944	0.3
95.08601	1.0
98.98459	3.1
104.10743	19.3
105.07014	0.5
107.08595	0.8
108.11226	0.3
109.10182	0.6
117.07013	0.3
119.08564	0.7
121.10091	0.5
125.00001	21.9
127.03892	0.7
133.10158	0.5
143.01025	0.6
159.11691	0.5
163.03940	0.6
167.05621	0.3
169.76649	0.4
170.71231	0.3
182.12547	0.3
184.07335	100.0
185.07626	1.1
186.07788	0.6
191.83673	0.3
197.08054	0.4
208.84464	0.3
234.68552	0.3
258.11053	0.3
283.11383	0.3
299.06216	0.8
317.21036	0.4
356.13828	0.4
500.31216	2.1
510.99512	0.4
518.32532	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30478	1.6
57.03415	2.5
60.04533	1.7
67.05498	2.2
69.03432	13.9
70.06598	2.3
70.91750	3.4
70.92087	2.6
81.03434	1.9
81.07050	8.0
85.02432	2.9
85.02914	43.3
87.04466	6.4
89.02601	1.5
91.05479	5.3
92.59743	1.5
93.07037	3.0
95.08595	2.1
97.02907	10.9
103.24751	1.7
104.12233	1.7
105.07002	8.0
107.08590	4.9
109.06504	3.6
109.10134	6.1
115.03909	8.2
119.08607	11.7
120.08103	1.7
121.10139	4.5
123.11720	43.9
125.05964	2.2
127.03958	3.1
130.07787	1.6
131.08627	3.1
133.04984	10.5
133.06506	4.4
133.10127	2.0
137.06009	2.1
144.80565	1.7
145.04985	3.1
145.10115	13.3
147.04485	2.5
147.11674	19.7
149.09641	5.1
151.07581	3.0
156.09367	2.2
161.06035	2.9
161.13283	2.7
163.07620	1.9
167.10680	2.8
168.48447	1.7
171.11665	1.8
180.11034	2.2
189.12758	100.0
197.11745	11.2
198.12129	8.6
207.13823	43.5
210.59578	1.6
225.14833	15.2
295.10211	2.6
318.14984	1.9
324.61847	2.1
342.12561	2.1
443.08591	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05028	0.5
57.03456	0.2
58.06357	0.3
58.06629	0.5
60.08160	5.8
65.53754	0.2
67.05505	0.8
69.07071	0.2
69.53076	0.7
69.53510	0.5
71.07372	2.9
79.05476	0.3
81.07058	0.5
86.09702	29.0
87.10059	0.1
89.77790	0.1
91.05435	0.2
93.07043	0.3
95.08611	0.4
98.98459	2.5
104.10735	3.2
105.07045	0.2
107.08603	0.2
109.10190	0.2
119.08527	0.2
121.10125	0.3
124.99999	18.8
126.83976	0.1
127.03864	0.2
143.01053	0.5
163.03876	0.4
163.35693	0.1
166.02632	0.2
170.02675	0.1
184.07332	100.0
185.07722	0.4
258.11053	0.3
500.31378	1.2
510.16824	0.2
518.32416	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	536.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
53.08134	0.8
55.01868	2.7
55.05511	7.1
56.96554	1.3
57.03445	1.4
58.99586	14.0
64.02402	1.0
67.05505	6.6
69.03418	4.9
69.07056	3.5
70.06583	1.8
70.16145	3.4
71.04999	2.1
72.08146	1.7
73.02921	1.5
74.00674	1.0
76.02229	85.5
76.04010	3.0
79.05490	7.9
80.05018	1.7
81.02989	1.4
81.03427	20.4
81.07056	11.1
83.04984	6.3
83.08611	6.5
84.04501	20.8
84.08141	1.8
85.02921	7.0
85.06558	1.7
86.09711	1.8
86.99046	3.6
87.04427	1.0
91.05457	9.0
93.07050	10.5
95.04977	9.9
95.08601	4.0
97.02892	5.1
97.06545	5.3
97.10144	1.9
99.04420	1.6
103.03954	1.3
105.07032	6.5
107.04982	2.1
107.08616	5.8
109.02888	1.9
109.06528	2.9
109.10136	3.5
111.08074	3.7
115.05476	1.1
116.01671	21.1
117.03394	1.1
117.07062	1.1
119.08588	8.4
120.08083	1.2
121.06508	1.2
121.10162	2.9
123.04464	1.0
123.11712	1.2
127.03925	8.2
129.07011	3.3
130.05009	12.4
131.08586	3.5
133.06493	1.2
133.10139	5.7
135.04442	1.6
135.07970	1.4
135.11679	2.9
136.07594	1.2
137.05997	2.9
142.03236	8.9
142.07780	1.4
144.01140	14.3
145.02786	1.6
145.04962	1.8
145.10065	1.7
147.04407	3.3
147.07976	1.4
147.11690	4.8
148.11501	1.3
149.09665	1.8
151.11098	1.3
154.21675	0.9
157.10152	4.6
159.11696	2.3
161.05983	1.1
161.09668	1.1
162.02209	39.4
163.03949	6.6
165.12775	1.2
167.05605	1.3
167.07089	1.2
170.02783	2.8
175.11214	4.4
177.05516	2.6
179.04857	72.3
180.06401	1.1
187.05423	2.4
188.03880	1.3
193.12225	13.4
211.13284	23.8
215.04866	1.8
217.15924	2.3
231.04543	2.7
233.05901	17.7
235.16904	1.7
245.05951	3.0
286.14804	2.0
290.08203	1.5
291.06580	2.3
299.06177	2.8
308.09097	100.0
330.67297	1.0
334.87082	1.1
389.17419	10.1
518.21790	4.6
536.21051	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	536.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06636	0.3
53.03943	0.5
56.96579	0.3
57.03439	0.8
59.31635	0.3
61.02927	0.5
63.02369	0.5
69.03438	1.7
69.58379	2.4
70.06583	0.5
73.02913	0.4
73.50957	0.3
81.03411	2.1
85.02904	3.9
88.04069	0.4
88.47277	0.4
89.03918	3.6
95.04975	0.4
97.02888	1.5
99.04433	0.6
104.93114	0.3
107.04971	0.4
109.02892	0.8
116.98648	0.4
117.03393	11.9
118.03732	1.0
119.04946	1.1
121.06477	0.6
122.92015	0.4
127.03912	3.4
134.03606	0.9
135.04419	1.1
145.02855	42.7
145.04868	1.3
146.03191	2.2
147.04411	4.6
149.05991	4.8
150.06335	0.6
162.03093	0.3
163.03900	1.7
166.30655	0.3
167.05496	0.7
169.83632	0.3
177.05479	100.0
178.05814	5.6
184.03807	0.3
186.05513	1.2
195.06549	1.4
291.75476	0.3
299.06204	1.1
339.10791	8.7
357.11841	10.8
359.02802	0.3
560.52747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61785	1.4
52.75126	1.1
56.96556	1.4
67.25305	1.0
69.03413	1.5
70.18307	1.1
70.62069	2.9
78.25344	1.0
85.02893	2.1
91.05426	1.5
97.02879	2.1
116.23186	1.1
119.04927	4.1
124.40829	1.1
127.03870	1.5
136.06192	100.0
147.03348	1.9
147.04411	15.6
167.05537	2.7
251.42801	1.2
268.10431	44.3
289.73706	1.1
297.05841	1.3
299.06134	5.1
349.64172	1.2
423.11874	1.4
439.07480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.3
55.01872	10.2
55.05502	8.9
57.03436	12.6
61.02915	6.7
61.04750	2.0
67.05514	12.1
68.99782	3.8
69.03088	2.9
69.03435	51.1
69.07053	9.0
69.40711	2.1
71.04979	8.5
73.02921	11.3
79.05506	10.4
81.03423	55.6
81.07066	33.4
83.01357	2.5
83.04974	3.9
83.08614	4.9
84.04494	8.8
85.02911	100.0
85.03436	4.8
87.00832	34.9
91.03936	3.0
91.05479	18.7
93.07044	25.3
95.04974	5.4
95.08611	36.4
97.02891	36.8
97.06530	4.7
97.10143	3.9
99.04458	23.6
105.01869	27.6
105.07036	40.7
107.08595	25.0
107.33760	2.0
109.02888	53.2
109.10159	22.4
111.04439	7.2
111.88478	2.0
115.03924	4.8
115.05445	2.1
115.58921	1.8
117.01846	5.4
117.07018	6.7
117.96159	2.2
119.08587	30.6
121.10164	23.8
123.08051	2.3
123.11740	12.3
125.09581	2.5
126.05489	8.6
127.03918	76.2
129.01826	9.0
129.06934	3.7
131.08548	15.2
132.28647	2.0
133.10136	37.6
135.11688	22.2
137.05968	3.5
137.09665	2.7
143.08522	13.7
145.04982	30.7
145.10103	20.9
147.02852	5.0
147.11700	29.7
149.13278	11.2
152.59708	2.2
155.08568	4.3
157.10150	12.0
159.02921	33.2
159.11707	21.9
161.13283	26.6
163.14835	10.3
170.10927	2.3
171.11676	10.6
173.13272	17.2
175.07562	2.3
175.14819	18.3
177.05429	3.1
177.12700	2.4
183.11684	5.2
185.13271	11.7
187.14821	13.0
189.16327	3.7
191.14320	2.5
197.13229	3.6
199.14870	17.1
201.16418	8.8
203.18037	3.9
211.14876	5.4
213.03940	3.3
213.16388	21.2
215.17996	2.8
225.16345	2.9
227.17957	8.1
231.05051	14.3
231.17363	5.3
239.09169	2.7
241.19453	4.0
255.20926	2.6
263.77429	2.0
267.21048	15.3
269.22656	92.6
271.24130	13.1
281.22525	2.7
285.22098	8.6
287.23715	66.5
299.06195	2.2
299.23868	4.3
311.23514	2.6
329.24554	3.7
382.22531	2.5
499.26666	6.4
504.79211	2.4
505.27875	6.4
517.27899	14.0
535.28729	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01859	0.6
55.05499	1.0
57.03440	0.3
57.30285	0.3
61.02937	0.5
63.02376	0.4
67.05507	2.5
69.03440	2.0
69.07056	1.0
69.60455	1.3
69.60861	0.7
71.04986	0.8
78.04689	0.3
79.05493	2.5
81.03417	1.9
81.07056	4.9
83.04971	0.6
83.08603	0.6
84.04496	0.8
85.02916	2.0
85.06541	0.5
89.03913	6.4
90.27981	0.3
91.05492	2.8
93.07044	2.1
95.04971	0.7
95.08607	5.1
97.02908	2.8
97.06529	1.2
99.04427	0.5
99.08065	0.4
103.05456	1.1
105.07012	2.3
106.04155	0.4
107.08601	0.9
109.02853	1.0
109.06516	0.3
109.10175	1.0
111.04453	0.6
111.08039	0.4
117.03381	19.8
117.07041	0.3
119.04914	0.6
119.08578	2.4
121.06539	0.4
121.10165	0.7
122.03472	0.5
123.08082	0.5
125.02394	0.4
125.09559	0.3
126.05508	0.4
127.03925	1.9
131.04916	0.6
131.08575	0.4
133.06564	0.3
133.10127	1.3
134.03664	1.6
135.04401	1.2
135.08046	0.3
135.11691	0.8
137.05975	1.9
137.09608	0.4
143.08562	0.3
145.02847	44.7
146.07083	0.6
147.04428	0.6
147.07993	0.3
149.05984	7.8
151.07355	1.7
158.05977	0.4
159.04378	0.3
159.11655	0.4
161.06030	0.5
161.09668	0.3
161.13315	2.3
162.03113	0.4
163.03909	1.0
163.07581	0.6
165.09117	0.4
167.07033	0.4
175.07567	0.9
177.05470	100.0
178.05829	0.4
179.06883	0.4
179.14314	2.8
181.06436	0.4
185.04227	0.4
186.05495	1.9
187.07579	0.4
189.05463	0.7
191.06987	0.4
191.10469	0.6
195.06514	0.8
201.05524	1.0
203.07010	0.4
205.04910	0.5
207.06477	0.3
211.22079	0.3
215.07095	0.7
219.06558	1.0
231.06522	0.6
233.07918	0.4
243.06564	0.5
257.08044	0.5
259.09882	0.3
261.07587	0.8
284.08704	1.1
285.07590	1.4
303.08658	0.5
323.18600	0.3
373.19891	3.7
384.48898	0.3
517.25336	0.5
535.25159	9.9
549.43793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14819	0.3
67.05489	0.8
67.78653	0.3
70.75836	0.9
79.05484	0.8
81.03423	0.6
81.07037	0.9
83.04939	0.4
84.04504	0.5
85.02890	0.9
88.55238	0.3
91.05490	0.4
93.07035	0.8
95.04945	0.3
95.08621	0.5
97.02763	0.5
105.07033	0.8
107.08562	0.5
109.10155	0.7
119.08591	0.7
120.01835	7.3
121.06524	0.4
126.05519	0.4
127.03925	0.7
131.04950	0.7
133.06537	0.5
133.10062	0.4
135.04472	0.5
137.05983	1.5
147.11754	0.4
151.07330	1.0
153.05515	0.5
161.06023	0.8
162.06786	0.5
163.03923	1.1
163.07523	0.6
167.07053	0.6
175.07532	0.6
184.03447	1.1
185.02567	0.5
185.04199	6.7
187.07584	1.4
187.11873	0.4
189.08878	0.9
199.07553	0.4
244.05698	0.4
247.09447	1.3
248.10220	0.5
265.08496	0.5
271.07626	0.4
301.10855	0.6
309.11261	0.4
313.12576	18.1
314.13223	0.4
325.10831	1.2
337.10757	1.0
355.18777	12.1
355.23105	0.7
373.19861	8.4
410.15656	0.6
535.25165	100.0
536.25659	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.0
67.05502	1.3
69.03433	1.4
69.07055	0.7
70.06577	1.1
71.04992	0.9
71.11364	0.9
73.59270	0.5
79.05492	1.3
81.03416	1.2
81.07063	2.2
83.04995	1.0
84.04530	0.5
85.02899	1.6
86.06100	0.6
86.09736	0.5
91.05481	1.8
93.07035	1.4
95.04944	0.9
96.01859	0.7
97.02856	1.4
98.06052	0.7
103.05471	0.6
105.07035	1.1
107.04935	0.9
107.08623	1.2
109.02879	1.2
109.06551	0.7
109.10163	1.2
111.04438	0.9
115.05489	1.1
117.07068	0.7
119.04910	0.6
119.08584	0.9
120.01845	4.5
121.02822	1.3
121.10159	0.9
123.11758	0.8
123.37379	0.5
125.02318	0.7
127.03905	3.9
129.07048	0.6
131.04903	1.3
131.08568	0.6
133.02829	0.5
133.10046	0.8
135.11708	1.2
137.05965	5.3
139.03926	0.7
141.06946	0.6
145.02893	1.0
145.06454	0.7
145.10133	0.8
147.04448	2.2
149.06052	0.7
151.03886	0.8
151.07333	1.0
159.03026	0.4
159.04356	0.5
159.15913	0.4
160.05235	1.2
161.05948	2.4
161.09554	0.7
161.13252	0.5
163.03905	3.7
163.07616	0.6
167.03473	0.5
167.07082	1.0
175.07549	3.2
177.05482	1.8
179.03386	1.4
181.05025	0.6
184.03455	1.0
185.04234	9.1
189.08949	1.4
191.10611	0.5
194.07393	0.7
201.05426	0.8
203.05318	3.5
203.07103	1.2
204.07913	0.6
205.04938	3.6
205.08345	0.8
217.08612	0.6
229.05042	0.6
247.05965	5.5
263.07217	0.7
277.08633	0.5
279.13663	0.5
299.06219	0.5
313.12561	22.4
337.10864	0.7
340.13016	0.9
355.18811	10.8
373.19815	12.9
391.19827	0.5
405.22672	1.2
410.15811	0.6
487.17630	0.8
535.18427	5.3
535.25177	100.0
536.18060	0.6
536.25659	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05505	0.6
57.03450	0.7
59.98862	0.3
67.05528	0.9
69.03430	0.7
69.07051	0.4
71.59600	0.4
76.47220	0.3
79.05499	1.0
81.03415	1.5
81.07056	1.5
83.05009	0.5
83.08610	0.4
84.04503	6.7
85.02922	1.6
85.04851	1.2
89.03921	0.5
91.05453	0.7
93.07040	1.6
95.04955	0.4
95.08614	1.4
97.02917	1.3
97.06538	1.3
105.07060	1.6
107.08587	1.0
108.03762	0.3
108.04490	0.9
109.02899	0.9
109.06522	0.3
109.10174	0.7
111.08081	0.7
117.03416	0.8
117.07020	0.4
119.04990	0.4
119.08558	2.0
120.01842	0.4
120.08111	0.8
120.08909	0.6
121.10169	0.7
123.11674	0.6
124.87158	0.3
125.09667	1.5
126.05522	3.5
126.09959	0.5
127.03931	1.1
127.05877	0.7
131.04953	0.5
131.08553	0.3
133.10149	1.7
134.10481	0.6
135.04434	0.4
135.11674	0.7
137.05997	1.2
143.08540	0.5
145.02856	2.6
145.10147	0.7
147.08070	0.9
147.11749	0.4
148.08391	0.4
149.06001	0.7
150.05511	0.4
153.93489	0.4
161.09639	0.7
162.09975	0.4
163.03877	0.5
165.09174	1.3
166.09453	0.5
167.07016	0.6
168.06572	0.5
177.05484	5.2
179.10715	0.8
185.04199	2.9
186.07573	0.5
189.09099	0.4
190.09468	0.4
207.10184	1.0
208.10527	0.5
225.11201	0.8
226.11592	0.8
247.09448	0.5
253.19922	0.3
349.45538	0.3
355.18826	15.6
373.19894	8.1
457.24127	0.7
517.26184	1.5
535.25299	100.0
536.25647	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	535.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01859	0.6
55.05499	1.0
57.03440	0.3
57.30285	0.3
61.02937	0.5
63.02376	0.4
67.05507	2.5
69.03440	2.0
69.07056	1.0
69.60455	1.3
69.60861	0.7
71.04986	0.8
78.04689	0.3
79.05493	2.5
81.03417	1.9
81.07056	4.9
83.04971	0.6
83.08603	0.6
84.04496	0.8
85.02916	2.0
85.06541	0.5
89.03913	6.4
90.27981	0.3
91.05492	2.8
93.07044	2.1
95.04971	0.7
95.08607	5.1
97.02908	2.8
97.06529	1.2
99.04427	0.5
99.08065	0.4
103.05456	1.1
105.07012	2.3
106.04155	0.4
107.08601	0.9
109.02853	1.0
109.06516	0.3
109.10175	1.0
111.04453	0.6
111.08039	0.4
117.03381	19.8
117.07041	0.3
119.04914	0.6
119.08578	2.4
121.06539	0.4
121.10165	0.7
122.03472	0.5
123.08082	0.5
125.02394	0.4
125.09559	0.3
126.05508	0.4
127.03925	1.9
131.04916	0.6
131.08575	0.4
133.06564	0.3
133.10127	1.3
134.03664	1.6
135.04401	1.2
135.08046	0.3
135.11691	0.8
137.05975	1.9
137.09608	0.4
143.08562	0.3
145.02847	44.7
146.07083	0.6
147.04428	0.6
147.07993	0.3
149.05984	7.8
151.07355	1.7
158.05977	0.4
159.04378	0.3
159.11655	0.4
161.06030	0.5
161.09668	0.3
161.13315	2.3
162.03113	0.4
163.03909	1.0
163.07581	0.6
165.09117	0.4
167.07033	0.4
175.07567	0.9
177.05470	100.0
178.05829	0.4
179.06883	0.4
179.14314	2.8
181.06436	0.4
185.04227	0.4
186.05495	1.9
187.07579	0.4
189.05463	0.7
191.06987	0.4
191.10469	0.6
195.06514	0.8
201.05524	1.0
203.07010	0.4
205.04910	0.5
207.06477	0.3
211.22079	0.3
215.07095	0.7
219.06558	1.0
231.06522	0.6
233.07918	0.4
243.06564	0.5
257.08044	0.5
259.09882	0.3
261.07587	0.8
284.08704	1.1
285.07590	1.4
303.08658	0.5
323.18600	0.3
373.19891	3.7
384.48898	0.3
517.25336	0.5
535.25159	9.9
549.43793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1083
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.25561	0.2
53.03949	1.6
55.01875	2.1
57.03429	0.8
61.02916	0.9
68.22138	0.2
68.99792	1.0
69.03429	5.6
69.29395	2.4
71.04985	0.8
73.02923	1.6
79.05479	0.4
81.03420	7.5
81.07063	0.2
85.02908	10.2
87.00829	4.5
91.03924	0.5
93.07037	0.4
94.08427	0.2
95.04964	0.3
95.08582	0.2
97.02905	3.4
99.04461	2.2
105.01874	2.4
105.03338	0.4
109.02888	5.4
111.00818	0.4
117.01854	1.0
121.02862	2.1
127.03922	8.8
129.01839	0.7
133.02841	0.4
133.06567	0.2
135.04366	0.2
137.02322	0.5
137.05962	1.1
145.04953	3.0
147.02983	0.5
147.04393	0.6
153.01840	2.7
153.12718	0.3
157.06488	0.4
159.02907	4.3
160.57613	0.2
161.05984	0.5
163.03847	0.3
165.01814	1.5
172.05243	0.4
183.02864	0.7
185.05997	0.8
203.07007	1.2
213.05554	1.2
215.07076	0.4
231.04787	1.2
231.06929	0.3
241.04962	0.8
246.45215	0.2
258.05267	1.0
259.05835	0.3
268.80896	0.2
277.08972	0.2
287.05505	100.0
288.05865	0.8
311.02322	0.2
329.06540	0.5
333.11459	0.2
381.13272	0.6
497.30518	0.2
535.24756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
56.05032	0.6
56.78653	0.2
58.06361	0.2
58.06617	0.5
58.56236	0.2
60.08161	6.7
67.05502	0.8
69.07096	0.4
69.48589	0.2
69.66417	1.3
71.07372	3.5
79.05495	0.4
81.07059	0.6
86.09704	32.4
93.07037	0.4
95.08601	0.6
98.98456	3.1
100.07605	0.5
104.10741	2.9
107.08617	0.3
109.10119	0.3
119.08601	0.3
121.68104	0.2
125.00001	22.5
133.10123	0.2
143.01053	0.6
166.02725	0.3
184.07335	100.0
201.97542	0.2
331.32401	0.2
516.34760	1.3
534.35712	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	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.3
57.03426	5.1
57.07076	9.6
57.15565	2.6
60.08166	4.9
61.02934	6.2
67.05167	5.4
67.05508	73.8
69.07074	28.6
69.35609	24.0
69.36024	6.6
71.08630	5.9
73.34189	2.7
77.57045	2.9
79.05492	16.0
81.07057	90.0
83.04988	3.7
83.08623	19.4
85.02905	7.1
86.09711	20.0
91.05483	12.5
93.07060	27.6
95.04977	4.0
95.08604	75.7
97.02889	3.9
97.06543	8.3
97.10177	12.9
98.20763	4.9
104.10744	46.6
105.07017	14.8
107.08584	15.8
107.48219	3.1
109.10158	42.1
111.39626	2.6
119.08543	14.8
121.10156	23.1
123.11716	18.5
125.00030	12.8
125.09641	4.8
133.10130	11.0
135.11726	15.2
137.13287	8.5
147.11696	10.7
149.13264	9.8
151.14847	5.6
161.13292	12.1
163.14864	10.5
165.16441	11.1
175.14865	8.4
177.16490	3.1
179.17918	6.7
184.07330	42.7
217.19475	3.8
217.49280	2.6
245.22684	73.0
263.23715	100.0
337.27380	64.7
354.69229	3.2
355.28378	8.2
400.91226	2.9
420.72299	3.4
516.34723	4.5
534.35565	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	534.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.8
56.05019	0.6
58.06587	0.4
60.08165	8.9
64.08759	0.3
64.18842	0.2
67.05508	1.3
69.07064	0.4
71.07043	0.3
71.07376	3.4
71.59372	0.6
79.05473	0.6
81.07025	1.1
83.08608	0.3
86.09707	32.6
91.05510	0.3
93.07064	0.6
95.08601	1.4
98.98456	2.6
103.66906	0.3
104.10746	28.8
107.08611	0.4
109.10135	0.5
116.99514	0.3
125.00005	18.7
135.37953	0.3
143.01039	0.6
147.11821	0.3
163.40424	0.3
184.07341	100.0
186.88646	0.3
190.56340	0.2
195.00267	0.4
215.19363	0.2
258.11310	0.4
335.31363	0.3
379.45868	0.3
399.19925	0.3
399.25116	0.3
516.34369	3.2
534.35608	15.3
559.47357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26806	0.6
55.01877	0.8
55.05498	1.4
56.05014	0.8
57.03416	0.6
58.06589	1.4
60.07879	1.2
60.08162	17.8
62.32972	0.6
67.05508	4.1
69.03413	1.4
69.07044	1.7
69.52647	4.9
71.07368	6.1
71.08620	1.5
73.02898	1.3
79.05474	1.8
81.03428	0.9
81.07050	4.1
84.04500	1.3
85.02902	1.0
86.09703	53.1
87.00822	0.6
91.05456	0.9
93.07035	2.3
95.04946	2.1
95.08598	2.4
97.02874	1.4
98.98473	3.4
104.10741	99.7
105.07031	2.3
107.08582	2.1
109.10149	1.0
115.03975	0.9
119.08588	3.1
121.10139	1.6
124.99999	28.4
127.03877	1.2
131.08560	0.7
133.10120	1.5
135.11707	0.8
140.69484	0.6
143.01147	0.6
145.10081	1.1
147.04410	0.7
147.11656	0.9
149.02364	1.2
156.85266	0.7
159.11639	0.7
163.04045	1.4
171.11671	0.7
176.13647	0.6
179.14343	0.8
184.07338	100.0
185.07677	0.9
185.13103	0.7
210.43657	0.6
214.42844	0.8
257.22702	1.0
258.23019	1.1
267.21021	0.7
309.12155	0.7
311.36563	0.7
468.23227	0.7
507.68732	0.7
516.31110	6.3
517.17419	1.1
534.32068	50.2
535.32520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
55.05519	0.5
56.05034	1.1
57.03432	0.5
58.06609	0.5
60.07879	0.4
60.08167	6.4
67.05495	0.7
67.65593	0.3
69.03441	1.2
69.07065	0.7
69.86649	0.5
69.87077	0.9
71.07368	2.5
73.02926	0.3
74.05782	0.2
79.05477	1.1
80.05010	0.4
81.03409	0.9
81.07054	2.0
83.04983	0.2
83.08626	0.7
84.04508	12.1
85.02909	2.5
86.09708	29.9
88.85878	0.2
91.05473	1.4
93.07024	1.6
95.04982	0.6
95.08586	1.0
96.04512	0.3
97.02886	1.4
98.06056	0.5
98.21448	0.4
98.98465	2.4
103.03928	0.6
104.10042	0.3
104.10738	5.2
105.07026	2.1
107.04942	0.2
107.08598	2.0
108.04482	2.2
108.10491	0.2
109.02879	0.8
109.06526	0.9
109.10172	0.8
110.06022	0.3
111.08083	0.5
117.07071	0.4
118.08676	0.2
119.08579	4.0
120.99888	0.2
121.10165	1.5
122.06108	0.2
123.08076	1.3
123.11737	0.4
125.00008	20.6
125.09631	4.3
126.05519	5.7
127.03914	0.7
131.08572	0.4
133.10133	3.2
135.11668	0.6
137.09561	0.3
139.36372	0.2
143.01060	0.2
143.08556	0.5
145.10136	0.5
147.08034	2.1
147.11719	0.3
150.05464	0.6
151.11195	0.4
161.09578	1.9
163.03993	0.4
165.09122	2.0
168.06561	0.9
179.10635	1.7
184.07344	100.0
185.07715	0.9
186.07631	1.7
189.09116	1.6
203.05986	0.2
204.08553	0.3
207.10216	2.1
225.11221	3.0
241.43848	0.2
249.11159	0.3
267.12271	1.0
295.89047	0.2
296.14944	0.2
314.15976	0.4
331.19077	0.6
349.20166	0.5
391.21188	0.4
451.23279	0.4
456.23770	0.7
498.30115	1.0
516.31390	6.4
534.26990	17.0
535.27368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.8
57.12580	0.2
58.06588	0.4
59.07357	0.2
60.08161	6.3
60.08448	0.3
67.05487	0.4
68.86304	0.2
69.07028	0.2
71.07372	2.3
71.08600	0.2
79.05468	0.3
81.03419	0.3
81.07030	0.4
84.04033	0.3
84.04498	3.8
85.02870	0.7
86.09701	31.0
93.07027	0.4
95.08601	0.6
98.98463	3.0
104.10739	4.5
105.07024	0.5
107.08585	0.5
108.04487	0.6
109.02866	0.3
109.10136	0.3
111.04438	0.4
111.08049	0.2
118.34058	0.2
119.08596	0.6
121.10148	0.3
123.08169	0.2
124.99998	19.8
125.09599	0.2
126.05514	2.4
127.03928	0.3
131.08588	0.2
133.10146	0.7
135.11765	0.2
139.03951	0.6
143.01079	0.4
145.10117	0.2
156.06644	0.2
157.10129	0.3
159.08139	0.2
161.09654	0.4
161.13397	0.2
168.06625	0.3
173.09547	0.2
184.07330	100.0
185.07709	0.4
186.07747	0.4
189.09187	0.3
191.10826	0.2
198.89699	0.2
199.15314	0.2
199.41617	0.2
203.10834	0.2
225.16414	0.2
229.63197	0.2
239.18027	0.2
258.11313	0.3
285.18866	0.3
295.17340	0.2
303.19965	0.2
313.18448	0.2
331.19528	0.2
349.20151	1.0
352.44443	0.2
378.68814	0.2
391.21838	0.5
451.23553	0.4
453.29581	0.2
456.24615	0.2
516.20227	0.2
516.32269	0.8
534.15216	0.3
534.27563	2.1
534.33649	7.7
535.27808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26806	0.6
55.01877	0.8
55.05498	1.4
56.05014	0.8
57.03416	0.6
58.06589	1.4
60.07879	1.2
60.08162	17.8
62.32972	0.6
67.05508	4.1
69.03413	1.4
69.07044	1.7
69.52647	4.9
71.07368	6.1
71.08620	1.5
73.02898	1.3
79.05474	1.8
81.03428	0.9
81.07050	4.1
84.04500	1.3
85.02902	1.0
86.09703	53.1
87.00822	0.6
91.05456	0.9
93.07035	2.3
95.04946	2.1
95.08598	2.4
97.02874	1.4
98.98473	3.4
104.10741	99.7
105.07031	2.3
107.08582	2.1
109.10149	1.0
115.03975	0.9
119.08588	3.1
121.10139	1.6
124.99999	28.4
127.03877	1.2
131.08560	0.7
133.10120	1.5
135.11707	0.8
140.69484	0.6
143.01147	0.6
145.10081	1.1
147.04410	0.7
147.11656	0.9
149.02364	1.2
156.85266	0.7
159.11639	0.7
163.04045	1.4
171.11671	0.7
176.13647	0.6
179.14343	0.8
184.07338	100.0
185.07677	0.9
185.13103	0.7
210.43657	0.6
214.42844	0.8
257.22702	1.0
258.23019	1.1
267.21021	0.7
309.12155	0.7
311.36563	0.7
468.23227	0.7
507.68732	0.7
516.31110	6.3
517.17419	1.1
534.32068	50.2
535.32520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
55.05519	0.5
56.05034	1.1
57.03432	0.5
58.06609	0.5
60.07879	0.4
60.08167	6.4
67.05495	0.7
67.65593	0.3
69.03441	1.2
69.07065	0.7
69.86649	0.5
69.87077	0.9
71.07368	2.5
73.02926	0.3
74.05782	0.2
79.05477	1.1
80.05010	0.4
81.03409	0.9
81.07054	2.0
83.04983	0.2
83.08626	0.7
84.04508	12.1
85.02909	2.5
86.09708	29.9
88.85878	0.2
91.05473	1.4
93.07024	1.6
95.04982	0.6
95.08586	1.0
96.04512	0.3
97.02886	1.4
98.06056	0.5
98.21448	0.4
98.98465	2.4
103.03928	0.6
104.10042	0.3
104.10738	5.2
105.07026	2.1
107.04942	0.2
107.08598	2.0
108.04482	2.2
108.10491	0.2
109.02879	0.8
109.06526	0.9
109.10172	0.8
110.06022	0.3
111.08083	0.5
117.07071	0.4
118.08676	0.2
119.08579	4.0
120.99888	0.2
121.10165	1.5
122.06108	0.2
123.08076	1.3
123.11737	0.4
125.00008	20.6
125.09631	4.3
126.05519	5.7
127.03914	0.7
131.08572	0.4
133.10133	3.2
135.11668	0.6
137.09561	0.3
139.36372	0.2
143.01060	0.2
143.08556	0.5
145.10136	0.5
147.08034	2.1
147.11719	0.3
150.05464	0.6
151.11195	0.4
161.09578	1.9
163.03993	0.4
165.09122	2.0
168.06561	0.9
179.10635	1.7
184.07344	100.0
185.07715	0.9
186.07631	1.7
189.09116	1.6
203.05986	0.2
204.08553	0.3
207.10216	2.1
225.11221	3.0
241.43848	0.2
249.11159	0.3
267.12271	1.0
295.89047	0.2
296.14944	0.2
314.15976	0.4
331.19077	0.6
349.20166	0.5
391.21188	0.4
451.23279	0.4
456.23770	0.7
498.30115	1.0
516.31390	6.4
534.26990	17.0
535.27368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25686	0.9
55.05494	2.6
56.05033	2.2
59.51653	1.1
60.08150	3.6
67.05499	2.9
69.03428	2.4
69.07047	2.7
70.21004	4.2
76.01431	1.1
79.05481	3.0
80.05014	1.2
81.03405	2.2
81.07046	3.8
84.04510	54.8
85.02903	9.1
85.06526	1.3
86.09713	14.7
91.05503	2.3
93.07034	4.4
95.04972	2.1
95.08599	5.2
96.04534	1.2
97.02893	2.1
97.06526	1.5
101.50304	1.0
104.10747	2.4
105.07017	4.9
107.08589	4.2
108.04488	6.7
109.02853	3.8
109.10156	2.9
111.04446	3.6
111.08096	5.5
117.66747	1.2
119.08589	9.3
121.06512	1.4
121.10145	3.5
123.08055	2.3
125.00028	9.7
125.09646	2.7
126.05523	35.1
127.03917	2.8
131.08574	2.1
133.06491	2.4
133.10104	6.0
135.11617	1.3
139.03915	8.8
143.08582	2.2
145.10123	2.4
147.08046	1.8
147.11725	1.4
149.13280	1.4
150.05522	1.4
157.10103	1.9
159.08072	2.9
159.11667	3.2
161.09657	3.2
163.07547	1.7
165.09114	2.4
166.18333	1.2
168.06573	3.3
171.11684	1.9
173.09633	1.5
175.11180	1.3
177.09100	1.4
179.10680	1.4
183.11754	1.7
184.07344	46.5
186.07668	3.7
187.11230	1.9
187.14772	1.3
189.09093	2.2
189.12819	1.6
197.13342	1.3
201.12575	1.3
203.10571	1.8
205.08640	1.3
215.10774	2.8
257.18808	1.1
267.17480	1.7
269.19000	1.2
285.18475	4.7
295.16962	1.5
313.17969	3.2
331.18958	6.0
349.20148	13.6
391.21124	8.3
451.23517	3.6
456.24002	2.8
516.25818	13.9
534.26929	100.0
535.27393	1.8
540.50873	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2701
Annotation	Ergovaline
Peak:m/z	Relative Intensity
53.03943	0.9
55.01858	0.8
55.05512	1.7
56.05040	3.0
57.03456	1.4
60.04522	1.0
67.05492	1.6
69.03434	3.8
69.07058	1.1
70.02003	2.9
70.02422	0.8
70.06590	0.8
71.05001	0.9
73.02885	1.0
73.58773	0.6
75.43149	0.5
75.58638	0.6
79.05495	2.7
80.05013	2.4
81.03421	3.8
81.07050	3.8
83.04975	1.0
83.08620	2.2
84.04505	71.2
85.02908	14.0
91.05479	4.0
93.07050	6.2
94.44542	0.6
95.04993	1.7
95.08609	3.2
96.04485	1.5
97.02899	7.1
97.05297	0.7
97.06503	0.6
98.06052	1.9
99.04436	0.7
103.03956	3.0
105.07031	7.9
107.04922	1.0
107.08586	7.6
108.04481	14.5
109.02873	4.0
109.06510	3.6
109.10165	2.0
110.06049	1.5
111.04459	1.0
111.08076	3.0
115.04064	0.6
119.08581	20.0
120.01868	7.1
120.53132	0.6
121.02181	1.9
121.06493	1.3
121.10162	5.3
122.06000	1.2
123.08067	5.7
123.11685	2.3
124.04018	0.8
124.43282	0.6
125.08752	1.3
125.09638	23.0
126.05515	33.8
127.03938	3.4
129.09097	1.2
133.06497	0.7
133.10130	15.9
135.11688	1.8
137.05974	1.4
137.09621	2.3
138.02847	0.8
143.08556	2.6
145.06454	1.2
145.10158	1.3
146.07095	2.3
147.08087	8.9
149.09593	0.7
150.05437	3.1
151.07468	1.5
151.11215	1.7
156.06558	1.4
157.12045	0.7
159.11681	0.9
161.09631	12.1
163.11197	1.1
165.09134	13.0
168.06560	6.7
179.10664	9.9
184.03505	0.8
185.04193	3.7
186.04659	1.1
186.07623	7.2
189.09084	9.3
204.08627	1.5
207.10159	11.8
225.11198	16.5
243.09901	1.5
244.05391	0.7
244.10460	1.0
249.11221	2.0
267.12335	5.2
289.18051	0.6
296.15024	1.5
313.12585	21.2
313.17987	1.1
314.12894	19.9
314.16058	2.0
331.18918	3.6
349.20084	3.5
349.23996	0.7
354.14526	1.8
371.18463	3.2
372.18591	10.1
391.21252	2.9
410.15048	0.7
411.15683	0.8
451.23193	2.0
456.23862	5.0
474.24637	0.8
516.25977	8.5
534.26337	100.0
535.25348	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2697
Annotation	Ergovaline
Peak:m/z	Relative Intensity
53.03934	0.7
55.01860	1.0
55.05508	0.9
56.05043	2.6
57.03430	1.0
59.05015	0.6
60.04523	0.8
63.95538	0.4
65.03952	0.6
67.05511	1.0
69.03436	3.7
69.07062	1.2
70.06567	0.7
70.79566	0.7
70.79898	0.9
71.04983	0.5
73.02918	1.0
78.72031	0.4
79.05495	2.0
80.05005	1.9
81.03424	3.4
81.07058	3.6
83.04951	0.8
83.08609	1.7
84.04503	58.2
85.02906	10.5
85.64799	0.5
91.05470	4.5
93.07040	6.7
95.04984	0.7
95.08592	3.8
96.04473	1.1
97.02878	6.2
98.06030	1.9
99.04446	0.7
103.03942	2.4
105.07024	6.8
107.08589	6.9
108.04479	12.1
109.02861	4.4
109.05280	0.5
109.06522	3.4
109.10143	1.4
110.06043	1.3
111.04419	0.9
111.08081	3.6
117.06980	0.5
119.04981	0.5
119.08579	17.5
120.01834	0.7
121.06475	1.5
121.10131	5.1
122.06017	0.8
123.08059	4.7
123.11698	1.8
123.78263	0.4
125.09628	22.8
126.05512	32.0
127.03931	3.7
129.09105	1.4
131.08556	1.2
133.06541	0.7
133.10130	15.9
135.08029	0.7
135.11679	2.0
137.05972	0.7
137.09599	2.0
139.73105	0.5
140.07150	1.1
143.08553	2.5
144.06557	0.7
145.10112	1.2
147.04402	0.6
147.08043	9.2
147.11671	0.6
149.06038	0.6
150.05479	2.9
151.07533	0.9
151.11163	1.7
156.06560	1.3
159.51422	0.5
161.09628	9.9
163.03954	0.5
163.07501	0.5
163.11255	1.1
165.09096	10.2
168.06563	6.2
178.33409	0.5
179.10670	8.6
185.04201	1.3
186.07608	8.3
189.09108	8.0
204.08722	1.3
207.10175	11.8
225.11215	17.1
249.11269	1.7
267.12265	4.6
289.17996	0.8
296.14807	1.3
313.12573	9.8
313.16211	0.6
313.18036	1.1
314.12881	9.6
314.16068	3.0
331.19138	2.7
349.20056	3.1
354.14706	0.9
391.21344	3.7
392.16974	1.0
393.42395	0.5
433.21906	0.6
451.23318	1.8
456.23740	5.1
457.22290	0.8
498.24655	0.9
516.25995	10.2
534.27173	100.0
535.26556	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2701
Annotation	Ergovaline
Peak:m/z	Relative Intensity
51.30370	0.9
53.03933	1.4
55.05504	2.0
56.05021	2.9
57.03408	1.1
57.07051	0.8
59.02296	0.8
60.04541	1.0
64.54248	0.8
67.05493	2.2
69.03422	4.7
69.07052	1.3
69.89327	0.9
71.05022	1.0
71.59570	1.5
72.04492	0.9
73.02908	1.0
77.59012	0.8
79.05482	3.9
80.04998	1.9
81.03413	5.6
81.07051	11.2
83.04973	1.2
83.08592	2.3
84.04498	69.6
85.02900	11.6
85.71749	0.8
91.05489	7.4
93.07040	8.9
95.04964	2.5
95.08611	5.1
96.04473	1.5
97.02882	9.2
98.06055	1.3
99.04455	1.9
103.03950	2.6
103.05460	1.2
105.07014	8.3
107.04926	1.2
107.08574	10.2
108.04465	10.8
109.02881	6.6
109.06521	3.3
109.10171	4.3
110.06060	1.9
111.08089	3.8
119.04925	1.1
119.08572	19.8
121.06488	1.9
121.10158	6.9
121.10976	1.3
122.05995	1.2
123.04443	0.9
123.08078	6.6
123.11697	2.5
125.09618	23.2
126.05509	34.1
127.03909	12.6
129.09085	1.6
131.08546	1.2
133.02832	1.2
133.06496	1.3
133.10120	17.9
135.08092	1.3
135.11705	3.3
137.05974	3.2
137.09613	2.8
143.08563	3.2
145.10107	2.1
147.04414	3.4
147.08049	8.0
149.05937	0.9
149.09621	1.2
150.05501	3.9
151.11179	3.1
156.06505	1.2
161.09605	10.9
161.13225	1.1
163.03911	3.5
163.11136	1.3
164.04256	1.3
165.09123	12.2
168.06532	7.8
175.15125	1.0
175.43575	0.9
178.71623	0.8
179.10660	10.2
183.91333	0.9
186.07611	8.8
189.09088	10.4
197.13086	1.1
204.08656	1.9
207.10129	11.5
207.11766	1.2
225.11217	16.1
231.05063	1.1
236.49193	0.8
243.17247	1.1
249.06285	0.9
249.11221	1.9
251.16464	1.5
267.12201	4.6
277.15720	1.1
313.12491	4.4
314.15958	3.0
331.18912	2.5
333.13239	1.0
349.20245	3.2
391.21170	3.8
392.17026	1.4
411.18643	1.3
451.23325	2.1
456.23697	4.7
487.18100	1.5
516.25745	9.5
531.10541	1.0
534.26984	100.0
535.25360	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	534.2699
Annotation	Ergovaline
Peak:m/z	Relative Intensity
52.53156	0.7
53.03956	1.2
55.01866	1.2
55.05509	2.6
56.05033	2.3
57.03427	2.1
57.07074	1.2
59.43158	0.7
67.05504	4.1
69.03432	5.3
69.07066	3.2
71.04977	1.5
71.08619	0.8
71.57085	1.1
73.02913	1.1
79.05489	3.2
80.05025	2.7
81.03428	7.1
81.07047	5.5
82.07407	1.4
83.04983	1.7
83.08612	3.1
84.04504	71.7
85.02905	16.1
85.03371	1.4
85.06563	0.8
85.52217	0.7
87.00838	1.4
91.05457	4.5
93.07040	6.3
95.04990	1.7
95.08604	8.2
96.04498	1.7
96.08953	1.2
97.02894	8.8
97.06534	1.0
97.10165	2.5
98.06071	1.7
98.10501	0.9
99.04485	1.9
103.03945	2.8
105.01884	1.8
105.07026	8.9
107.04975	1.0
107.08596	8.1
108.04479	13.2
109.02879	5.7
109.06523	4.7
109.10140	5.5
110.06041	1.8
110.35629	0.7
111.04459	3.2
111.08089	4.4
111.11703	0.8
117.06990	1.2
119.08589	16.7
121.06499	2.2
121.10125	4.9
122.06039	1.0
123.08066	5.4
123.11742	4.3
124.03948	1.2
125.09631	26.1
126.05516	34.9
127.03932	7.0
128.06230	1.0
129.09102	1.1
131.08583	1.3
133.10120	17.0
135.08064	0.9
135.11685	3.9
137.09618	2.6
138.13644	0.8
140.07071	1.0
143.08580	2.6
144.06593	1.4
145.10132	2.3
147.08031	8.3
147.11604	0.9
150.05513	3.7
151.07555	1.8
151.11195	2.9
156.06612	2.0
161.09618	9.8
163.11230	1.3
165.09109	13.0
168.06552	8.2
169.78918	0.8
179.10658	11.0
184.07399	2.2
185.13358	0.9
186.07605	9.3
189.09073	9.3
204.08745	1.3
207.10156	13.4
211.14775	0.9
216.00446	0.7
225.11223	19.0
225.13339	1.0
230.29465	0.7
249.11247	2.0
250.26117	1.4
253.15945	0.8
267.12381	4.4
267.26755	1.1
268.27222	1.3
285.18420	1.1
285.28162	1.2
289.18063	1.2
296.15051	0.9
313.18066	1.4
314.16089	3.7
326.48901	0.8
331.19150	3.5
334.78882	0.8
349.20068	3.9
391.21021	3.8
392.17273	1.6
451.23404	2.5
456.23724	5.3
516.25854	11.6
534.27014	100.0
535.27338	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2701
Annotation	Ergovaline
Peak:m/z	Relative Intensity
50.00812	0.7
53.03944	1.6
55.01859	1.4
55.05502	1.7
56.05025	3.1
57.02385	0.8
57.03439	1.4
67.05495	2.0
69.03433	3.9
69.07057	1.3
71.61501	0.8
71.61934	0.8
73.02893	1.4
79.05499	2.4
80.05013	3.0
81.03410	4.2
81.07059	3.9
83.08617	2.2
84.04507	71.2
85.02911	10.8
86.09702	2.8
91.05478	5.2
93.07059	7.2
95.04984	1.4
95.08608	3.9
96.04486	1.4
97.02892	6.5
98.06068	1.9
99.04482	1.0
103.03947	2.4
104.67161	0.8
105.07030	7.6
107.08590	9.4
108.04486	15.1
109.02907	4.5
109.06522	3.2
109.10181	2.2
110.06038	1.1
111.04428	1.9
111.08076	3.6
112.47182	0.6
118.08663	0.8
119.08591	19.1
121.06554	0.9
121.10165	5.7
122.06029	0.8
123.08075	6.5
123.11707	2.3
124.03942	0.7
125.00011	1.3
125.09637	24.9
126.05516	35.6
127.03931	2.9
129.09140	1.7
133.10136	16.7
133.11082	1.5
135.11731	2.2
137.09637	2.5
140.07153	1.1
143.08589	2.4
144.06569	1.1
145.10109	2.0
147.04465	0.8
147.08057	9.7
150.05530	3.2
151.11195	2.0
156.06602	1.7
161.09621	12.5
163.11206	1.6
165.09105	13.8
168.06567	6.3
179.10698	10.3
179.14371	1.9
183.11673	0.9
184.07314	7.9
186.07658	8.1
189.09100	10.7
204.08841	1.0
207.10181	13.9
225.11201	17.0
225.13321	1.0
249.11266	1.7
267.12268	5.9
296.14835	1.6
314.16006	2.5
331.19113	2.6
349.20081	3.9
349.51306	0.7
356.83099	0.7
374.26532	0.7
391.21088	4.4
410.18344	0.8
433.22128	1.0
451.23358	3.1
456.23724	3.8
516.25970	10.8
525.44183	0.7
534.27014	100.0
535.27771	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05037	2.2
57.03423	1.1
65.03935	0.7
67.05505	2.0
69.03439	4.5
69.07068	2.0
70.27029	2.7
71.05023	0.8
79.05507	1.1
80.05019	1.1
81.03424	2.7
81.07052	3.4
83.04940	0.8
83.08619	1.1
84.04509	52.0
85.02908	8.3
87.04458	0.7
91.05484	2.0
93.07046	2.7
95.04957	1.9
95.08620	6.8
97.02896	2.4
97.06557	1.1
98.06085	0.8
98.21448	0.7
98.97569	1.2
103.03944	1.1
105.07000	4.0
107.04936	0.9
107.08597	3.4
108.04484	3.6
109.02893	1.5
109.06539	2.1
109.10171	2.8
110.06017	1.1
111.04457	2.7
111.08097	2.5
119.08572	5.7
121.10160	3.0
122.06022	1.0
123.08068	2.2
123.11702	0.9
125.09679	1.7
126.05522	25.8
127.03921	2.4
131.08600	2.5
133.06445	1.1
133.10115	4.6
135.08035	1.2
135.11673	1.9
137.09608	1.3
139.03908	7.4
143.08594	2.4
145.06551	0.9
145.10114	2.9
147.08040	2.1
147.11693	2.3
148.45033	0.6
149.09615	1.0
149.13316	0.9
150.05528	2.3
150.39906	0.7
153.05484	0.9
156.06599	1.9
157.10118	2.6
159.01006	0.7
159.08069	1.7
159.11713	1.9
161.05998	0.8
161.09630	2.8
161.13330	1.6
163.07594	1.1
163.70560	0.7
165.09132	0.9
168.06602	2.8
169.10176	1.3
171.11662	2.3
172.08556	0.7
173.09662	2.8
173.13283	1.3
175.11211	1.6
177.09177	1.1
179.10715	1.2
183.11684	1.3
185.13295	2.3
186.07623	5.3
187.07596	0.8
187.11186	1.0
187.14868	1.0
189.00763	1.8
189.09154	3.3
189.12689	1.0
189.16393	0.8
193.08624	1.3
197.09615	0.8
197.13220	1.0
199.11258	1.1
199.14812	1.2
201.09128	1.5
201.12788	1.9
201.16452	0.8
203.10805	1.3
204.08702	1.1
207.10143	1.2
211.11105	0.9
215.10605	1.4
215.14365	0.8
217.08569	0.8
219.10155	0.9
225.16344	1.1
225.24712	0.7
229.12300	1.0
229.15895	1.3
233.11830	1.1
239.18008	1.2
241.15950	1.2
243.13847	0.8
243.17473	0.9
247.13210	0.8
257.19070	1.6
267.17459	2.1
285.18524	8.8
287.16599	0.8
295.16959	1.6
303.19409	1.7
313.18036	5.6
315.90634	0.7
331.19058	4.0
349.20126	4.9
391.21115	4.4
433.22171	1.4
451.23346	5.4
456.23828	2.3
497.07828	1.0
516.25983	14.3
534.27026	100.0
535.26703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2697
Annotation	Ergovaline
Peak:m/z	Relative Intensity
53.03942	1.8
55.01868	1.7
55.05512	2.3
56.05030	2.0
57.03436	1.3
66.43513	0.8
67.05492	2.8
69.03442	3.9
69.07065	1.5
71.59601	1.5
71.81324	0.8
73.02894	1.8
79.05491	2.7
80.05022	2.0
81.03424	3.4
81.07056	5.1
83.08608	2.2
84.04504	62.5
85.02901	11.4
86.09723	1.9
91.05473	4.8
93.07040	6.8
95.04973	2.0
95.08596	3.1
96.04484	2.2
97.02888	5.2
98.06035	2.0
99.04472	1.0
103.03954	2.7
105.07029	7.1
107.08601	7.5
108.04465	11.6
109.02871	4.5
109.06490	4.4
109.10172	2.0
110.06046	1.3
111.04467	1.0
111.08092	2.9
117.07051	0.8
119.08581	14.7
121.06498	1.7
121.10148	7.6
122.06051	1.1
123.08054	3.1
123.11689	1.7
125.00010	1.9
125.09632	24.1
125.25169	0.8
126.05518	31.2
127.03922	3.4
131.08571	0.8
133.05005	0.8
133.09122	1.0
133.10135	15.3
135.11707	2.8
137.05984	1.6
137.09631	2.1
140.07047	1.0
141.16447	0.8
143.08562	2.3
144.06593	1.2
145.10106	1.8
147.08057	7.6
149.09682	1.3
150.05533	3.4
151.11198	2.4
156.06584	1.3
157.10162	0.9
159.11746	0.8
161.09615	9.4
163.11217	2.4
165.09116	11.9
168.06555	5.9
179.10670	9.5
184.07361	5.8
186.07622	8.9
189.09116	9.1
192.70412	0.8
200.57202	0.8
204.08667	1.5
207.10173	13.2
225.11194	16.7
225.13324	1.1
249.11226	1.3
267.12357	5.0
296.14801	1.4
314.15930	2.2
331.19113	2.3
349.20090	2.1
355.28125	1.0
378.15189	1.0
391.21176	2.6
433.22403	1.3
451.23544	1.5
456.23785	7.0
501.27454	0.8
516.25964	9.6
534.26978	100.0
535.27563	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2698
Annotation	Ergovaline
Peak:m/z	Relative Intensity
50.40834	0.8
53.03949	1.1
55.01865	1.7
55.05512	1.5
56.05030	2.7
57.03433	1.0
65.29537	0.7
67.05506	2.1
69.03428	3.8
69.07066	1.2
70.73918	2.2
70.74276	1.1
73.02921	1.9
79.05494	3.3
80.05025	2.7
81.03423	4.4
81.07059	4.4
83.04979	2.3
83.08616	1.5
84.04503	63.2
85.02904	10.0
86.65087	0.9
91.05474	4.3
93.07062	5.5
95.05028	1.9
95.08610	3.4
95.28216	0.9
95.68724	0.8
96.04440	1.1
97.02887	7.5
98.06052	1.2
99.04420	1.2
103.03930	2.9
105.07039	6.7
105.27867	0.8
107.08593	7.1
108.03776	1.6
108.04472	13.7
109.02854	5.0
109.06535	1.8
109.10152	1.8
110.06031	1.7
110.56349	0.8
111.04425	1.9
111.08122	2.6
119.08573	14.4
121.06498	1.8
121.10145	4.3
123.08060	4.9
123.11726	1.7
124.04021	1.0
125.09624	21.9
125.10554	1.2
126.05515	31.3
127.03946	2.9
129.09108	1.7
131.08607	1.2
133.06448	0.9
133.10121	14.3
135.11673	2.4
137.06003	1.2
137.09586	1.1
142.40823	0.8
143.08546	2.2
145.10126	1.9
147.08023	7.5
147.11702	1.2
150.05513	2.6
151.11197	2.6
156.06569	1.9
157.10054	0.8
159.11812	1.0
161.09598	7.5
163.11206	1.2
165.09116	10.0
168.06560	6.2
179.10663	7.5
185.66603	0.8
186.07646	7.9
189.09099	8.0
204.08673	1.5
207.10127	10.8
209.08131	1.2
225.11200	14.1
228.93553	0.9
249.11354	2.1
267.12357	4.6
285.18417	1.0
296.15106	1.1
314.16000	1.8
331.18961	2.6
349.20230	2.7
391.21085	3.9
397.12976	1.3
451.23206	1.6
456.23828	4.7
516.26099	9.7
534.27002	100.0
535.27161	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
53.03954	0.9
55.01871	1.8
55.05514	2.6
55.05736	0.6
57.03438	3.0
57.28174	0.4
59.04978	0.9
67.05517	2.2
69.03427	2.0
69.07071	2.8
69.44849	3.3
71.01363	1.0
71.04988	2.2
72.65471	0.4
73.02914	0.8
74.37886	0.4
75.75475	0.4
78.04688	0.4
79.05501	9.1
81.03394	0.4
81.07059	14.2
83.04978	2.0
84.04508	6.2
85.02905	7.5
85.06556	3.4
87.04454	1.3
91.05478	8.7
91.06008	0.7
93.07047	44.3
95.04973	4.1
95.08600	2.0
97.02901	4.3
97.06532	10.9
98.21496	0.8
99.00811	1.1
99.04459	9.7
101.06010	1.6
103.03962	2.1
105.07033	18.7
107.04945	1.2
107.08601	6.9
108.04510	0.7
109.06514	7.5
109.10163	0.6
111.04430	1.1
111.08092	1.4
113.02367	1.3
113.05992	1.2
115.07565	1.9
117.07015	0.8
118.47859	0.4
119.04958	1.3
119.08584	13.9
121.06510	24.1
121.10178	1.0
123.04420	0.9
123.08082	1.6
125.06026	0.6
125.09642	2.2
126.05536	3.3
127.03893	0.9
127.07549	5.1
128.06216	1.0
129.05478	2.6
129.06996	2.8
131.03378	1.0
131.08545	3.1
133.06485	2.2
133.10133	9.9
135.04433	0.6
135.08057	1.7
135.11710	0.5
137.05994	2.0
139.07545	23.9
141.05470	0.7
142.07813	2.3
143.08569	5.2
145.06461	0.5
145.10141	5.8
147.08022	3.1
147.11693	21.5
150.05383	0.6
151.07520	0.9
155.08562	0.7
156.09351	2.6
157.06407	0.5
157.10130	10.0
159.08061	1.0
159.11729	0.8
160.08728	0.5
161.05986	0.7
161.09596	3.5
161.13257	7.4
165.09102	1.5
166.07832	0.6
169.08655	0.4
171.10167	1.1
171.11682	12.8
173.09628	1.6
173.13281	1.1
175.07558	1.7
175.11194	13.2
179.10693	0.9
181.10110	1.0
186.07620	0.7
189.09161	1.7
189.12750	26.4
193.12248	1.6
195.10162	5.2
199.11194	7.7
207.10196	1.3
207.13817	7.6
217.12247	35.1
219.08603	0.7
225.11261	1.8
235.13306	14.2
253.14336	6.2
291.15924	6.1
309.16971	100.0
310.17294	1.6
327.18204	0.6
449.18439	0.9
481.20688	1.6
499.21732	4.6
516.25720	0.9
520.30719	0.4
534.18884	0.5
534.26953	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	534.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.3
53.03946	1.5
54.36641	0.3
55.01880	1.9
55.05504	2.1
56.05000	0.5
57.03437	2.7
57.50431	0.3
59.04974	0.4
65.03931	0.4
67.05508	2.7
69.03432	2.7
69.07069	2.8
70.79952	0.7
71.01326	1.3
71.04997	3.2
73.02871	1.0
73.06514	0.3
77.03899	0.4
79.05495	7.8
80.04989	0.5
81.03397	0.7
81.07055	12.4
83.04987	2.0
83.08587	0.7
84.04506	10.1
85.02448	0.6
85.02905	7.7
85.06541	2.9
87.04432	1.4
91.05484	7.9
93.07042	38.3
94.07354	0.4
95.04967	4.2
95.08595	2.3
97.02366	0.4
97.02888	3.9
97.05927	0.6
97.06532	10.4
98.06054	0.3
99.00789	1.5
99.03854	0.5
99.04456	8.6
101.05994	1.3
103.03960	2.6
103.05447	0.6
105.03301	0.3
105.04525	0.5
105.07033	17.4
107.04926	1.2
107.08595	7.5
108.04500	1.7
109.02871	0.7
109.06525	8.1
109.10118	0.9
111.04422	1.2
111.08067	1.1
113.02339	1.1
113.05966	1.1
115.05386	0.5
115.07584	1.8
117.07008	1.2
119.04925	0.9
119.08579	13.7
121.06506	21.6
121.10109	1.5
123.04398	0.6
123.08060	1.9
125.05897	0.4
125.08906	0.3
125.09649	3.3
126.05512	4.0
127.03882	1.2
127.07546	5.0
128.06186	0.6
129.05498	2.3
129.07007	2.6
131.03369	0.7
131.08577	2.9
133.06500	2.5
133.10127	10.4
135.04362	0.9
135.08076	2.1
135.11665	0.9
137.05975	2.0
137.09569	0.8
139.07539	21.7
141.01830	0.4
141.05431	0.8
141.06956	0.6
142.07762	1.8
143.08568	4.6
145.04886	0.3
145.10124	4.9
147.08061	3.6
147.11684	19.8
151.07518	1.2
153.09114	0.3
155.08459	0.8
156.09370	2.1
157.10129	9.0
159.02921	0.4
159.08009	0.8
159.11670	0.9
161.05963	0.6
161.09634	4.0
161.11967	0.5
161.13248	7.0
163.11154	0.6
165.09123	2.1
166.07780	0.8
167.07060	0.3
168.06549	1.1
169.08554	0.4
171.10144	1.6
171.11662	10.8
173.04375	0.4
173.09512	0.8
173.13263	1.0
174.10379	0.4
175.07544	1.2
175.11185	11.9
177.05438	0.4
179.10652	1.1
181.10081	1.1
184.08876	0.4
186.07600	1.2
189.09206	1.6
189.12743	22.7
190.12921	0.4
193.12192	1.2
195.10153	4.7
199.09467	0.6
199.11185	7.5
204.08517	0.4
207.10168	1.5
207.13800	6.6
215.05365	0.4
215.09030	0.5
217.12241	31.7
218.12541	0.7
219.08646	0.6
225.11192	2.8
235.13298	14.9
241.86931	0.3
247.08099	0.6
253.14343	5.7
267.12219	0.8
281.17508	0.4
291.15924	5.9
306.03745	0.3
309.16959	100.0
310.17340	2.2
314.15793	0.5
321.60477	0.4
327.17899	0.4
331.19272	0.4
337.16168	0.4
345.51749	0.4
349.19919	0.4
449.18301	0.8
456.23666	0.9
481.20615	1.6
499.21722	3.8
511.56729	0.4
516.26031	1.2
534.26984	13.9
535.26941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.3
65.03960	1.2
65.32813	1.1
69.03416	4.2
70.03409	4.6
77.37978	1.0
78.09473	0.8
85.02908	16.9
91.05476	7.5
95.04979	1.7
97.02886	4.1
107.04971	2.8
109.02895	1.7
111.04430	1.1
119.04953	18.4
123.04409	5.7
127.03919	3.3
131.04944	1.5
133.02930	2.0
133.06482	3.0
135.04384	1.7
136.93752	0.9
137.05983	68.6
143.81979	1.1
145.04947	1.7
145.06506	1.3
147.04417	100.0
148.04727	2.1
149.05966	1.6
154.77307	1.0
161.01175	1.4
161.02391	3.4
161.06003	4.9
163.03925	1.7
165.05467	8.6
177.05493	3.5
179.07047	40.9
187.03914	2.9
189.05469	12.2
199.03943	3.6
205.05014	1.0
217.04985	17.4
243.06500	0.9
263.05530	29.4
297.63696	1.1
305.06689	3.2
323.07635	59.0
341.08594	3.6
355.10150	8.6
364.10101	2.1
450.81857	1.0
517.54645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.8
55.01859	10.6
55.05258	3.0
55.05506	34.9
57.03434	8.3
57.07074	28.8
59.04997	1.8
60.42772	1.5
61.02924	9.1
65.03960	2.0
67.05166	2.6
67.05502	36.2
68.99784	3.2
69.03073	3.3
69.03424	40.3
69.07066	68.2
70.90888	2.7
70.91250	3.8
71.01331	1.7
71.04988	16.3
71.08627	18.2
72.92335	1.7
73.02906	7.3
79.05486	11.6
81.03422	29.6
81.07052	92.8
83.04982	7.4
83.08614	56.3
84.04488	13.1
85.02902	95.5
85.06538	21.1
85.10165	7.1
87.00824	43.8
87.04465	1.8
91.05463	5.7
93.07021	10.4
95.04958	6.1
95.08601	100.0
97.02882	38.5
97.06499	2.0
97.10164	51.1
99.04446	13.8
99.08091	3.2
105.01863	45.4
105.07033	8.3
107.08589	12.7
108.04476	2.7
109.02230	1.2
109.02876	31.5
109.06488	2.4
109.10152	78.9
111.04432	6.2
111.08067	2.9
111.11719	42.8
113.09624	3.2
115.03934	4.1
117.01828	3.1
118.27589	1.5
119.08569	7.5
121.06547	1.8
121.10147	9.1
123.04392	1.8
123.08023	2.2
123.11704	58.9
125.09615	3.7
125.13258	14.8
126.05493	4.8
127.03912	58.9
129.01831	3.0
131.08560	3.3
132.22987	1.4
133.06477	2.0
133.10118	5.9
135.11684	5.2
137.05930	2.9
137.13240	26.0
139.14827	8.1
143.08513	2.6
143.14270	2.2
145.04941	20.3
145.10114	4.7
147.02942	1.9
147.04419	3.6
147.08125	2.9
147.11676	4.5
149.13313	3.5
151.07567	2.7
151.11177	7.4
151.14836	16.0
153.16393	4.5
159.02901	9.1
159.08063	2.1
159.11681	3.7
161.05933	1.6
161.09598	2.3
161.13260	2.9
163.03854	2.8
165.16402	13.0
167.07072	2.3
167.17970	3.3
179.10713	3.3
179.17943	11.6
184.07353	4.0
185.19003	7.2
189.03941	2.6
193.19511	13.6
207.10072	2.0
213.03934	2.5
231.05038	10.9
247.09749	2.1
249.05957	2.0
249.25764	27.3
251.16370	6.1
255.21259	2.2
257.22540	2.7
267.26804	64.5
285.27881	37.8
291.23108	2.0
333.15076	1.8
338.67389	1.8
357.27817	4.8
375.28870	6.1
393.29947	4.0
435.31140	3.2
461.29050	5.1
479.29922	5.2
533.26959	1.9
534.27045	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	533.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01854	2.9
55.05503	11.7
56.39548	2.0
56.96551	2.8
57.03432	3.0
57.07064	2.7
61.02931	17.0
65.03929	7.5
67.05505	65.1
68.99794	15.3
69.03428	17.8
69.07060	13.2
69.95269	7.3
71.01346	2.1
71.04993	2.4
73.02896	1.8
74.73074	1.7
79.05480	13.9
81.03413	17.9
81.07053	29.4
83.04988	4.4
83.08620	9.7
85.02908	16.1
85.06541	2.3
87.00844	11.7
91.05476	15.2
93.07036	24.5
95.04968	100.0
95.08602	50.6
97.02895	10.0
97.06517	4.9
97.10153	3.4
98.20893	2.5
99.04447	5.2
105.01859	2.4
105.07029	29.8
107.04954	2.9
107.08582	39.9
109.02881	15.9
109.06501	5.5
109.10159	29.9
111.04424	5.6
111.08079	3.3
117.03445	1.8
117.07049	9.4
119.08581	66.2
121.06538	2.9
121.10126	27.6
123.04426	2.5
123.08094	4.7
123.11716	11.0
127.03918	26.2
128.06206	3.0
129.01843	22.6
129.06999	4.0
131.08575	13.7
133.10130	41.5
135.08037	5.1
135.11682	25.7
137.06000	2.4
137.13220	4.5
141.06924	2.1
143.08551	8.4
145.10117	34.4
147.02875	10.6
147.04352	2.8
147.08014	2.9
147.11693	27.8
149.02325	5.3
149.13280	14.7
155.08475	3.3
156.09279	3.8
157.10149	14.4
157.41312	2.0
159.11684	36.8
161.09700	3.1
161.13255	25.9
163.04042	4.2
163.11136	2.6
163.14806	8.8
167.06905	2.2
169.10104	10.2
171.11679	18.0
173.09659	2.6
173.13243	33.2
175.11241	3.4
175.14833	22.3
177.12666	2.0
181.10115	2.4
183.11710	11.0
184.07315	3.6
185.13319	12.2
186.13965	2.2
187.14821	27.8
188.15498	2.8
189.12746	3.4
189.16380	23.7
195.11563	2.5
197.13307	9.6
199.14839	6.4
201.16399	16.1
203.14354	3.8
203.17969	23.1
203.19785	3.0
209.13167	3.4
211.14783	9.7
213.03999	5.7
213.16426	5.0
215.14412	4.1
215.17966	10.6
225.16357	6.4
229.15714	3.9
229.19554	3.6
241.19553	7.0
243.17397	3.6
243.21141	7.3
255.21057	6.6
257.19104	6.0
257.22632	88.7
267.21109	14.0
283.20453	3.0
285.22079	31.2
301.21524	2.6
303.23227	4.1
317.21222	5.2
327.23148	3.1
343.10272	27.9
369.24359	5.5
375.23251	2.9
393.24286	7.3
411.25461	2.2
419.41223	2.1
421.29514	3.8
429.26385	2.4
447.27295	3.6
497.25168	4.0
515.26324	6.6
533.27405	63.4
533.35223	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	533.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26442	0.2
51.44622	0.2
57.10247	0.2
62.88454	0.2
69.03410	0.2
69.07045	0.3
69.68031	1.0
69.68443	0.5
79.05465	0.2
80.04984	0.3
81.03375	0.4
81.07014	0.4
84.04508	2.2
85.02870	0.9
85.03336	0.3
91.05449	0.6
93.06989	0.6
95.08609	0.2
97.02837	0.5
105.07026	0.5
107.08569	0.6
108.04449	0.6
109.02876	0.4
109.06451	0.3
109.99785	0.2
114.03719	0.2
119.08603	1.0
120.01852	8.7
121.02610	0.5
121.10084	0.4
123.08048	0.3
125.09610	0.9
126.05533	1.2
127.03867	0.4
133.10088	0.9
138.02165	0.2
138.02896	1.8
142.03232	0.3
146.07028	2.4
147.04384	0.3
147.08035	0.3
147.66971	0.2
151.07309	0.9
161.09619	0.3
163.03929	0.2
165.09102	0.6
167.03123	0.3
167.06993	0.3
179.10666	0.4
184.03433	0.6
185.04222	5.9
186.07610	0.3
189.08875	1.6
207.10048	0.8
225.11215	0.6
243.09959	2.4
244.05583	0.6
247.09412	0.8
248.10240	0.5
253.44754	0.2
271.07883	1.3
272.53015	0.2
276.04410	0.5
279.09943	0.2
313.12582	58.8
314.12875	0.7
314.16162	0.3
354.14548	0.3
371.18320	11.8
407.71997	0.3
409.14697	1.0
410.15683	1.4
449.16919	0.2
480.51480	0.3
521.86688	0.2
533.23602	100.0
534.25946	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84855	0.6
56.96571	0.8
62.05643	0.5
67.05510	0.5
69.03439	0.9
69.11317	0.6
69.79585	3.7
78.02900	0.5
81.03404	0.8
81.07056	1.1
84.04526	1.2
85.02908	1.2
91.05488	1.0
93.07031	0.9
95.04958	0.9
95.08644	0.5
96.01894	0.8
97.02876	1.1
98.21386	1.0
105.03493	0.7
105.07047	0.8
107.08600	1.1
117.06964	0.6
119.04960	0.6
119.08580	1.3
120.01855	13.0
121.10162	0.8
125.09612	0.6
127.03928	1.0
130.88196	0.6
138.02930	0.6
145.02811	1.0
146.07068	3.6
147.04407	2.3
151.07353	1.2
159.11688	0.8
163.03932	0.8
167.07100	0.7
177.05495	1.0
184.03395	0.5
185.04219	6.7
189.08917	1.7
207.10146	0.8
228.30940	0.6
242.78029	0.6
243.10007	2.8
244.05621	1.1
245.05771	0.6
247.09395	1.1
248.10371	0.9
276.04556	0.7
291.99948	0.5
292.56253	0.6
298.19116	0.5
298.92459	0.5
313.12582	41.4
371.18298	17.4
372.18414	0.5
410.15494	1.6
412.21124	0.7
414.65961	0.6
465.68460	0.7
532.74628	1.4
533.23608	100.0
534.25256	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26442	0.2
51.44622	0.2
57.10247	0.2
62.88454	0.2
69.03410	0.2
69.07045	0.3
69.68031	1.0
69.68443	0.5
79.05465	0.2
80.04984	0.3
81.03375	0.4
81.07014	0.4
84.04508	2.2
85.02870	0.9
85.03336	0.3
91.05449	0.6
93.06989	0.6
95.08609	0.2
97.02837	0.5
105.07026	0.5
107.08569	0.6
108.04449	0.6
109.02876	0.4
109.06451	0.3
109.99785	0.2
114.03719	0.2
119.08603	1.0
120.01852	8.7
121.02610	0.5
121.10084	0.4
123.08048	0.3
125.09610	0.9
126.05533	1.2
127.03867	0.4
133.10088	0.9
138.02165	0.2
138.02896	1.8
142.03232	0.3
146.07028	2.4
147.04384	0.3
147.08035	0.3
147.66971	0.2
151.07309	0.9
161.09619	0.3
163.03929	0.2
165.09102	0.6
167.03123	0.3
167.06993	0.3
179.10666	0.4
184.03433	0.6
185.04222	5.9
186.07610	0.3
189.08875	1.6
207.10048	0.8
225.11215	0.6
243.09959	2.4
244.05583	0.6
247.09412	0.8
248.10240	0.5
253.44754	0.2
271.07883	1.3
272.53015	0.2
276.04410	0.5
279.09943	0.2
313.12582	58.8
314.12875	0.7
314.16162	0.3
354.14548	0.3
371.18320	11.8
407.71997	0.3
409.14697	1.0
410.15683	1.4
449.16919	0.2
480.51480	0.3
521.86688	0.2
533.23602	100.0
534.25946	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84855	0.6
56.96571	0.8
62.05643	0.5
67.05510	0.5
69.03439	0.9
69.11317	0.6
69.79585	3.7
78.02900	0.5
81.03404	0.8
81.07056	1.1
84.04526	1.2
85.02908	1.2
91.05488	1.0
93.07031	0.9
95.04958	0.9
95.08644	0.5
96.01894	0.8
97.02876	1.1
98.21386	1.0
105.03493	0.7
105.07047	0.8
107.08600	1.1
117.06964	0.6
119.04960	0.6
119.08580	1.3
120.01855	13.0
121.10162	0.8
125.09612	0.6
127.03928	1.0
130.88196	0.6
138.02930	0.6
145.02811	1.0
146.07068	3.6
147.04407	2.3
151.07353	1.2
159.11688	0.8
163.03932	0.8
167.07100	0.7
177.05495	1.0
184.03395	0.5
185.04219	6.7
189.08917	1.7
207.10146	0.8
228.30940	0.6
242.78029	0.6
243.10007	2.8
244.05621	1.1
245.05771	0.6
247.09395	1.1
248.10371	0.9
276.04556	0.7
291.99948	0.5
292.56253	0.6
298.19116	0.5
298.92459	0.5
313.12582	41.4
371.18298	17.4
372.18414	0.5
410.15494	1.6
412.21124	0.7
414.65961	0.6
465.68460	0.7
532.74628	1.4
533.23608	100.0
534.25256	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73265	1.6
51.43798	1.5
55.01874	3.6
55.05530	1.5
56.96564	1.8
57.03440	1.8
67.05501	2.6
68.50336	1.4
69.03435	5.7
69.46945	12.9
69.47348	2.1
70.06593	1.7
72.08154	1.8
78.90116	1.5
79.05500	3.7
79.85634	1.3
80.23186	1.3
81.03438	4.2
81.07057	2.8
82.26289	1.4
83.04978	3.5
83.13930	1.3
85.02901	7.9
86.09705	1.9
88.12703	1.3
89.03913	1.6
91.05485	7.6
93.07048	4.1
93.14365	1.5
95.04965	4.6
95.08667	2.8
97.02883	5.7
98.09730	1.5
103.05476	51.3
105.07032	10.5
107.04947	4.4
107.08585	3.5
111.04486	1.9
114.13046	1.7
115.05470	3.8
117.07011	1.7
119.04964	4.2
119.08567	2.2
120.08221	1.4
121.06524	1.6
122.03638	5.1
127.03944	3.4
131.04936	71.5
131.08557	1.4
133.06506	10.5
133.10115	2.2
135.08099	2.1
137.05983	65.1
145.06468	3.2
145.10100	2.0
147.04419	11.3
148.05176	2.0
149.05980	4.6
151.03917	5.6
151.07558	5.5
156.05690	2.2
157.06476	1.5
159.07986	3.5
160.05176	1.9
161.05978	20.6
163.03847	4.4
163.07556	100.0
167.07036	10.2
169.06453	2.4
175.07610	4.4
177.05510	5.4
179.07097	4.8
187.07516	7.7
189.00674	1.7
191.07024	17.0
193.08574	9.1
201.09193	2.5
205.08655	7.8
209.08109	3.6
217.08621	9.0
228.13939	2.9
231.10178	2.8
237.02888	1.8
237.14445	2.0
239.06674	2.1
246.14833	8.3
246.65073	6.9
254.13445	2.5
305.08115	2.2
323.09186	1.7
324.13843	2.5
341.06525	3.4
341.12662	3.6
353.13611	2.9
355.15350	7.9
371.14978	2.5
533.22571	4.2
533.37689	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	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40438	1.3
55.01869	2.8
57.03434	1.5
61.02919	1.5
65.12891	1.4
69.03419	5.8
70.06574	1.4
71.04994	1.7
71.59431	1.8
79.05492	3.1
81.03421	3.2
81.07053	3.2
82.12073	1.4
83.04992	2.1
85.02905	10.6
86.09748	1.6
91.05481	6.2
93.07015	2.8
94.04158	2.0
95.04987	2.8
97.02912	6.5
98.97569	1.7
103.04796	2.7
103.05473	49.7
105.07035	12.0
107.04942	5.6
109.02881	1.5
109.06510	1.7
111.04426	1.8
115.05443	4.5
116.98560	1.5
117.06929	1.5
119.04916	3.0
119.08611	1.6
121.06524	1.5
122.03667	3.0
123.04446	1.9
127.03921	2.4
131.04930	73.1
131.08542	2.5
133.06508	11.7
135.11748	1.6
137.05980	66.0
145.02811	1.8
145.06497	2.0
145.10138	1.5
147.04407	5.4
147.08015	1.9
148.05083	2.8
149.05991	4.8
151.03914	3.0
151.07527	4.4
156.05696	1.6
157.06473	1.3
159.08083	2.5
161.05983	16.2
163.03883	3.4
163.07553	100.0
167.07039	12.7
175.07591	6.6
177.05475	8.3
179.07059	3.4
187.07579	7.5
190.06282	1.5
191.07063	18.9
193.08632	10.7
197.08022	2.1
197.40811	1.4
199.07603	3.1
201.09175	1.7
205.08604	6.6
209.08170	2.7
217.08669	8.0
218.07292	1.7
231.10155	4.1
246.14970	2.5
246.65190	2.4
249.09041	1.6
277.08716	1.5
281.11505	2.1
309.11203	2.0
321.11258	1.7
324.13489	2.5
341.12836	4.7
353.13748	4.3
355.15475	7.1
371.14792	3.7
395.21222	1.5
533.24060	6.6
533.38232	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	533.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80409	1.2
53.03948	3.4
53.85847	0.9
55.01871	8.9
57.03442	8.3
59.91863	1.1
61.02929	9.9
61.98530	1.1
67.05522	2.7
69.03432	32.3
69.07076	9.7
69.58949	6.8
71.04998	4.6
73.02917	4.5
79.05521	4.4
81.03423	15.4
81.07069	4.4
83.01353	1.6
83.04989	2.1
83.08643	1.8
85.02910	100.0
87.04487	4.0
91.03979	4.3
91.05472	7.2
93.07055	6.1
95.04974	7.2
95.08597	5.4
97.02898	34.0
97.06552	3.9
99.04451	6.6
101.16743	1.1
103.05503	2.7
105.07059	5.2
107.05000	4.2
107.08607	6.4
108.05752	1.6
109.02869	9.9
109.06488	5.7
109.10172	2.6
111.04414	1.4
115.03974	2.0
115.05494	4.1
117.07036	2.5
119.08602	6.2
121.06535	4.4
121.10184	3.8
122.07311	4.1
123.04455	1.1
123.08081	18.4
123.11694	1.7
124.05252	2.0
127.03929	31.6
129.07039	3.0
131.04970	3.2
131.08632	1.8
132.05725	1.1
133.10130	6.3
135.04446	1.7
135.08061	23.6
135.11769	3.7
136.05249	4.5
137.05968	5.5
139.07526	5.8
141.07098	1.3
143.04968	2.3
143.08646	1.4
145.04968	42.1
145.06529	2.2
145.10146	1.6
146.07272	1.1
147.04375	2.5
147.08112	1.4
147.11734	2.4
149.09662	1.7
149.13316	1.4
151.07549	56.2
155.04948	3.0
156.69247	1.0
157.06558	2.9
160.05206	8.0
161.05923	5.5
161.13356	1.2
163.03908	1.3
163.06091	6.3
163.07608	3.2
165.05556	1.2
165.12758	20.2
167.07120	2.7
171.06549	2.5
173.06104	3.3
173.13264	2.5
175.07550	18.0
175.14882	4.7
176.04791	1.0
176.08356	2.5
176.12030	2.2
177.05557	4.1
177.09158	6.9
179.07048	5.4
183.04442	2.1
185.06163	1.4
187.07626	3.8
189.07649	2.9
189.09209	2.5
191.07091	9.7
191.14314	77.4
193.15887	9.3
199.07645	1.5
203.07072	2.0
205.08607	1.3
207.13919	3.6
209.15373	15.0
215.07016	6.9
217.08652	8.5
219.08147	3.2
227.57256	1.1
231.08118	1.4
233.09656	1.5
235.07669	1.9
245.09476	1.2
247.07713	3.2
249.09235	2.0
250.10088	1.4
251.07225	1.4
259.07632	3.2
260.08456	3.3
261.06699	1.2
261.08997	6.4
262.06567	1.3
262.09988	3.3
263.07138	2.0
263.10831	2.4
265.08658	1.2
271.07874	2.1
272.08487	1.4
273.09149	2.6
275.07355	1.3
275.10809	4.0
276.07840	1.8
277.08594	5.8
278.09595	2.3
279.10297	4.0
281.11935	1.7
288.07895	1.8
289.08563	5.2
290.09360	2.5
291.10199	11.0
292.10956	5.8
293.08398	2.0
293.11905	3.6
294.08905	1.4
298.39151	1.2
303.10373	4.0
304.10870	10.3
305.08209	2.7
305.11786	3.8
306.09006	1.5
306.12683	1.8
307.09830	2.3
307.13339	1.3
308.10706	2.9
309.11465	4.2
311.12946	1.4
319.09921	1.1
320.10544	4.1
321.11423	2.7
322.12021	5.5
323.12860	9.5
325.14209	1.4
335.12781	35.4
337.14316	8.5
338.11523	1.2
341.13864	26.8
342.14572	1.2
353.13861	36.6
353.19543	2.9
371.14880	13.5
371.20624	10.0
431.21924	1.2
533.25330	55.7
534.27271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01867	2.5
61.02920	2.1
67.05486	1.3
67.18775	0.9
69.03435	6.2
70.23745	4.7
78.04708	2.2
79.05491	9.2
81.03416	2.8
81.07049	8.3
85.02903	13.3
86.09712	1.3
91.05472	4.3
93.07051	2.1
95.04984	3.3
95.08614	1.8
95.19941	1.2
97.02885	8.2
99.04471	1.1
101.66261	1.1
103.05485	2.8
105.07036	8.0
106.04170	1.0
107.04950	16.8
107.08606	1.4
107.53185	0.9
109.02878	1.9
110.82973	1.0
115.05470	4.5
117.07034	1.9
118.04129	1.7
119.04971	1.3
119.08582	2.8
120.42371	1.0
123.04463	6.1
124.05215	2.8
125.05997	2.3
127.03921	3.0
128.06232	2.5
129.07074	4.9
130.04163	1.9
131.04926	3.9
132.05708	3.2
133.02850	1.8
133.06505	5.6
135.04416	1.9
137.06018	3.3
137.13232	1.4
141.06956	1.4
142.76366	1.0
144.05705	1.2
145.04880	1.5
145.06480	1.2
146.03572	1.1
147.04405	4.3
147.08072	4.1
149.05968	1.8
150.06793	1.6
151.03932	2.2
152.04706	2.3
153.05464	2.5
159.08015	5.0
160.05249	1.5
161.05986	10.9
162.06744	7.5
163.03926	3.0
167.07042	100.0
169.06529	2.0
171.08047	2.5
172.05110	1.7
175.07547	43.5
177.05441	2.6
179.07008	1.1
181.06578	1.0
181.08582	1.3
184.05190	1.9
187.07547	14.9
189.07288	1.2
189.09071	2.4
190.07732	2.1
191.07056	10.9
191.08583	1.6
193.08607	17.7
199.07523	13.9
201.09134	1.8
202.07788	1.8
203.08514	3.8
206.07121	1.6
207.08067	1.8
215.08557	3.4
217.08537	1.1
218.07251	4.0
219.08231	2.1
221.09654	1.8
231.08090	3.2
232.08774	1.2
233.09586	5.0
234.06982	1.2
235.07591	2.8
246.06728	1.7
247.07545	2.2
248.08359	1.7
249.09146	2.8
250.09695	1.4
251.07095	1.3
254.95300	1.6
259.07687	1.1
260.08261	2.2
261.09052	5.6
262.09695	1.4
263.06973	3.4
274.06369	1.2
275.07227	1.2
276.07776	1.1
277.08627	3.5
278.09427	3.5
279.06586	1.0
281.11761	3.1
289.08554	5.7
290.09335	2.0
291.06592	1.8
291.10089	2.9
293.11688	4.3
294.08829	1.5
295.06085	1.2
295.09558	1.3
303.09863	1.2
305.08188	1.3
306.08850	1.6
307.09763	1.5
309.11185	7.3
311.09119	1.4
321.11172	11.1
322.12088	2.3
323.05640	1.6
323.08878	6.4
325.14279	1.6
326.11523	3.5
338.11411	1.8
341.10153	4.8
341.13864	19.5
353.13824	21.9
355.15283	3.2
355.71500	1.0
359.73428	1.4
393.21439	1.1
492.18533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32542	1.3
52.32968	1.5
55.01862	2.8
55.05513	7.9
56.96558	2.6
57.03428	2.0
60.87463	1.2
65.03949	14.1
67.05504	18.8
67.14585	1.2
69.03431	44.2
69.67383	5.6
69.67791	3.9
69.97674	1.2
70.06596	2.1
72.08157	5.7
81.03401	2.5
83.04984	66.8
85.02912	19.9
85.07687	1.3
86.09707	4.2
87.00821	4.2
87.04453	1.7
91.05479	16.9
92.05849	1.7
93.03412	26.3
93.07029	1.6
95.04972	72.8
97.02916	7.3
98.97586	3.0
99.00828	9.3
101.06025	3.2
105.07025	1.6
107.04988	6.9
111.04446	100.0
115.03940	1.6
116.98637	1.7
117.01862	3.6
119.04946	23.0
120.08055	1.6
121.02870	15.1
121.06515	3.2
127.03960	1.9
129.05486	83.5
133.06487	1.7
135.04291	1.3
137.06001	5.0
137.78766	1.2
139.03900	55.0
141.06987	2.1
143.00156	1.3
143.04871	1.4
145.06482	2.0
147.04430	81.8
147.06508	68.8
147.07501	1.5
148.04774	5.0
149.06053	1.7
149.37776	1.3
153.06941	3.7
154.07875	1.4
155.08545	3.6
157.04973	67.8
165.06898	10.2
166.85132	1.4
175.06032	24.2
175.07483	2.5
177.05495	5.4
182.07259	1.6
183.08014	14.7
187.07471	1.5
188.09152	3.0
189.00847	1.5
193.07088	72.9
207.08054	6.7
211.07568	14.9
217.07465	4.5
227.05432	2.0
228.07813	9.4
234.06831	3.8
235.07439	13.5
235.92050	1.6
242.09435	3.1
243.10246	15.4
249.09204	1.6
252.07936	2.3
262.06305	4.7
263.07098	11.4
263.09717	1.9
264.07913	1.9
267.10150	6.1
273.06015	10.4
277.08606	5.9
290.05911	1.7
295.09662	24.3
305.08139	3.4
308.01715	1.6
323.09085	18.8
341.10248	3.4
361.11664	13.1
433.06577	1.8
497.14249	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	533.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
59.93575	0.5
67.01848	0.6
67.05502	1.2
69.03428	3.8
69.64198	3.3
71.04987	1.3
71.06446	0.6
79.05489	0.7
81.03407	5.8
81.04964	0.5
81.07026	1.2
82.95076	0.4
85.02891	3.1
87.00803	1.3
89.03908	6.4
91.05478	12.5
92.05804	0.5
93.07011	0.8
95.08605	0.9
97.02893	5.7
99.04447	1.7
103.05462	0.9
105.07025	1.5
107.08596	0.6
109.02883	8.6
109.10150	1.0
115.05444	0.7
117.03377	17.0
117.07024	0.5
119.08585	0.7
121.10143	0.7
127.03915	8.9
133.10161	0.7
133.37628	0.5
134.02678	0.6
134.03664	1.3
135.04440	2.4
137.05963	0.9
143.04898	2.8
145.02843	48.5
147.11531	0.6
149.05948	5.8
151.03882	2.5
163.03905	4.9
167.07133	0.8
177.05463	100.0
178.05956	0.6
186.05518	2.0
195.06537	4.2
213.03848	0.6
221.31699	0.5
231.04916	0.6
261.07550	0.7
307.21262	0.6
313.12442	0.7
321.09698	2.0
407.09756	1.2
425.10785	22.6
515.15894	1.0
533.21545	3.5
541.80347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52488	1.2
53.03944	2.6
55.05510	14.2
57.03429	4.0
57.07071	3.1
61.02912	5.2
65.03934	1.3
67.05502	63.9
68.05839	1.4
69.03418	4.2
69.03767	1.2
69.07069	13.1
69.53642	8.0
69.54067	3.9
70.06593	4.0
71.04987	3.8
73.02934	1.8
79.05492	44.0
81.03421	3.7
81.07053	75.4
83.08623	7.9
85.02896	8.1
85.06538	3.2
91.03943	1.5
91.05479	26.5
93.07040	64.7
95.04967	5.6
95.08604	57.7
97.02879	4.6
97.06515	3.1
97.10181	3.2
99.08077	2.7
105.07021	18.9
107.08595	36.1
109.06510	2.5
109.10157	30.6
111.08073	2.6
116.07087	5.0
117.07014	10.8
119.08570	17.6
121.10143	37.1
123.11714	17.4
125.09631	2.1
129.06967	1.5
131.08565	19.9
132.72728	1.2
133.10123	20.3
135.11694	29.9
137.09554	1.4
137.13263	7.5
139.11166	2.5
143.08630	1.4
145.10117	17.4
147.11687	14.1
149.09540	2.0
149.13258	20.5
151.14830	2.3
157.10161	1.5
159.11668	13.9
160.65236	1.5
161.13249	13.5
163.14833	14.8
165.12773	2.4
173.13252	18.0
175.14836	3.0
177.12894	1.7
177.16396	3.9
179.14304	2.7
185.13268	1.5
187.14819	10.3
191.14301	1.5
195.00323	4.5
201.16470	2.8
205.15912	3.1
215.17984	1.6
233.22696	3.1
235.91422	1.3
243.21088	28.8
243.23582	1.8
261.22137	100.0
272.75195	1.4
279.23190	3.0
280.72043	1.3
303.23114	1.6
335.25858	14.6
353.26843	34.2
369.24326	4.1
387.25232	3.8
405.26498	6.7
409.83554	1.4
423.27243	2.1
428.18805	1.2
460.95724	1.4
532.26971	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.1
55.20742	1.2
57.03436	2.6
57.07313	1.3
67.05236	1.1
67.05514	14.8
67.63205	1.3
69.03426	5.8
69.07056	6.0
79.05499	8.1
81.03423	2.2
81.07058	30.4
83.08619	1.3
83.38696	1.4
84.04512	1.6
85.02892	6.7
87.04462	4.9
91.05476	8.6
93.07041	15.1
95.08609	43.4
97.02890	8.6
97.10133	1.8
98.21612	2.2
105.07037	22.7
107.08595	27.5
109.10159	35.9
111.11694	1.3
112.04687	1.3
115.03928	14.4
119.08577	29.5
121.10155	10.6
123.11720	17.1
127.03905	2.0
133.04959	17.8
133.10130	14.6
135.11696	2.8
145.04941	1.8
147.11697	33.2
159.11668	1.4
161.13272	9.4
168.65665	1.4
175.14819	3.1
177.05432	2.4
180.34276	1.3
185.13318	1.6
203.05806	1.4
203.17958	100.0
259.08191	3.3
295.10315	3.4
310.12494	1.4
533.21161	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33454	1.8
55.05513	3.6
61.27652	2.1
67.05505	30.9
69.03423	7.1
69.07066	6.5
69.65697	16.0
79.05492	5.6
81.07061	17.0
83.04997	3.2
85.02885	5.2
85.06551	4.6
91.05490	3.9
93.07052	10.9
95.04958	19.0
95.08598	18.9
97.02866	4.2
97.06537	8.7
100.04798	2.0
105.07008	8.5
106.20336	2.1
107.08604	19.5
109.06534	3.6
109.10162	100.0
111.04420	4.1
113.06001	17.6
119.08578	18.5
121.06524	2.0
121.10150	56.2
123.08059	2.4
123.11707	6.6
123.90715	1.9
127.03942	4.8
131.08539	2.8
133.10120	16.2
135.11699	16.7
145.10130	15.7
145.23257	1.9
147.08057	2.2
147.11716	10.6
149.09612	9.8
157.10202	2.0
159.11705	5.8
161.13243	8.5
163.11186	51.9
163.12540	3.1
167.10681	2.4
171.11725	2.4
173.09642	6.2
173.13281	8.9
175.14883	5.6
181.12257	4.3
183.48793	2.1
185.13242	2.5
187.14792	6.0
189.12749	2.4
191.10666	34.5
191.12306	3.0
193.12212	3.8
198.18581	3.2
199.14864	3.3
201.16365	2.7
203.14249	2.3
205.12352	2.5
205.15909	2.5
209.11711	20.8
215.14394	3.0
219.13828	2.8
227.12788	75.4
227.17868	2.2
229.15979	2.0
229.19475	3.8
233.15462	2.4
243.17407	2.6
253.19566	4.8
257.51736	2.2
271.20566	20.5
272.18530	2.9
289.21637	81.5
299.20035	16.2
317.21100	31.5
335.22214	18.4
469.23318	2.6
532.33716	3.1
533.25446	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	532.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.9
56.96574	2.1
65.03951	1.6
67.05511	5.5
69.03424	3.4
69.07063	4.5
69.50551	7.3
69.50957	2.5
71.04984	1.9
72.08147	2.0
79.05495	7.2
81.03417	1.7
81.07066	8.7
83.05003	2.1
85.02912	4.6
86.09719	1.7
89.03915	4.3
91.05488	11.7
93.07047	12.2
95.04961	4.5
95.08614	9.5
97.02883	6.4
97.06552	2.0
99.08099	100.0
101.73227	1.4
103.05481	1.6
105.07031	15.2
107.04987	2.8
107.08606	40.4
109.02860	1.1
109.06555	2.5
109.10175	5.8
111.04437	3.6
113.02341	1.5
116.98592	1.5
117.03368	6.4
117.07067	2.5
118.03761	3.7
119.04905	2.3
119.08584	19.9
120.08170	1.3
121.06538	2.6
121.10148	11.4
123.11686	1.6
125.05998	3.2
125.09643	3.6
127.03915	3.8
131.04926	3.6
131.08594	2.6
133.06534	2.2
133.10124	9.6
135.04430	3.8
135.11716	1.6
137.06017	3.9
139.07500	2.5
143.08548	1.7
145.02859	18.2
145.10129	3.3
146.03203	7.6
147.04437	6.7
147.08109	1.9
147.11697	14.4
149.05960	3.9
149.09685	3.0
149.13255	2.0
151.07509	1.6
151.11163	3.1
152.70930	1.3
157.10139	1.4
159.11711	2.2
161.05988	4.7
163.03967	8.2
163.11209	1.7
164.04254	3.1
165.09129	4.1
165.12778	3.7
167.07085	4.9
167.63649	1.2
175.07576	3.0
175.11230	5.4
177.05498	27.8
178.05821	17.1
193.08635	3.5
193.12248	17.8
209.11734	9.0
211.13315	53.2
257.03137	1.2
264.48190	1.3
299.20169	2.9
317.21173	36.3
333.09857	1.6
335.22260	4.5
341.13699	1.8
353.13693	2.1
543.08728	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03948	2.2
55.01868	3.0
55.05505	0.9
56.96566	0.6
60.04511	1.0
63.43012	0.4
65.03931	0.5
67.05490	1.8
69.03432	5.4
69.07071	33.2
69.47540	0.4
70.06583	1.1
71.04985	2.0
71.59576	0.6
73.06565	5.2
74.06075	0.5
79.05064	0.6
79.05498	10.5
80.05011	0.9
81.02985	0.7
81.03423	11.9
81.07072	0.9
83.04996	0.6
83.08591	0.5
85.02912	3.6
86.09698	0.7
89.03927	0.7
91.05478	3.4
93.07033	0.7
95.01308	0.5
95.04965	2.6
95.08624	0.8
97.02890	8.8
97.06534	13.0
98.06022	0.7
98.97541	0.5
99.04455	2.8
103.05477	5.4
104.31060	0.5
105.07036	49.3
106.07323	0.5
107.04970	0.8
107.08553	0.5
108.04488	10.7
109.02141	0.6
109.02888	11.5
109.10139	0.6
113.02345	1.0
113.05997	1.0
115.05451	9.7
115.07573	5.1
117.07043	0.7
118.04156	3.1
119.04945	1.4
119.08566	0.5
119.29088	0.4
121.06520	0.6
123.04397	0.5
123.08086	0.6
123.11693	0.6
125.05989	5.0
126.05527	2.5
127.03925	9.7
131.04932	4.3
131.08508	0.5
133.06499	48.2
135.08081	0.6
137.05920	0.7
141.05421	1.2
143.06076	2.6
143.07039	35.9
145.04950	1.3
145.10181	0.6
147.04405	4.4
147.08032	0.5
149.05997	0.8
159.06543	1.2
161.05994	99.2
161.08029	26.5
162.06348	0.8
163.03944	0.6
163.07520	0.8
166.98856	0.5
167.07108	2.2
177.05536	0.7
181.08626	0.4
181.36601	0.4
185.13477	0.5
189.09073	0.4
193.08617	100.0
194.08983	1.0
195.10158	1.0
205.08600	0.9
211.09708	2.3
213.11154	2.2
215.07205	0.6
215.09079	0.8
223.09735	0.5
248.23761	0.4
251.09175	1.3
268.11853	1.5
269.10242	6.2
285.09732	0.9
286.12799	0.9
287.11252	7.6
304.13953	1.7
305.12473	1.3
333.09409	0.6
379.45081	0.4
399.00809	0.5
532.18579	1.6
532.28125	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	531.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01863	3.9
55.05262	1.7
55.05510	23.7
56.98936	1.4
57.03423	3.5
57.07076	9.6
58.77640	1.2
59.04987	2.3
59.16936	1.1
61.02916	3.9
67.05502	26.5
68.99810	1.6
69.03431	14.7
69.07066	40.6
70.26513	5.8
71.04994	7.7
71.08632	4.2
73.02917	2.1
79.05471	9.2
81.03421	14.4
81.07053	80.0
82.87745	1.3
83.04987	3.3
83.08614	29.7
85.02899	40.8
85.06545	7.5
85.10170	1.4
87.00832	15.1
91.05479	5.8
93.07044	17.5
95.04964	3.5
95.08603	100.0
97.02885	15.0
97.06516	2.5
97.10160	21.0
99.04436	5.7
99.08080	3.6
105.01868	15.1
105.07015	3.5
107.08591	17.7
109.02861	10.3
109.10152	64.4
111.04452	2.9
111.08074	1.4
111.11710	13.2
113.09649	4.1
114.05504	1.2
115.76057	1.1
117.03365	1.7
117.07037	1.4
119.08568	3.4
121.10126	26.4
121.10915	2.0
123.11697	35.1
124.50117	1.2
125.13258	3.4
127.03918	25.5
127.11178	1.8
128.06189	1.5
128.07074	2.0
129.01839	2.2
129.05574	1.3
131.04936	1.5
131.08560	1.8
133.10139	2.3
135.11699	21.2
137.13251	28.6
137.14241	2.3
139.11250	1.6
143.08551	2.1
144.61455	1.5
145.02832	2.1
145.04958	7.6
145.10123	1.6
147.11708	2.7
149.13245	13.3
151.14813	12.6
153.12776	2.0
155.14256	2.8
159.02898	5.6
159.11765	1.3
161.09775	1.2
161.13193	1.5
163.14816	14.1
165.16393	12.5
171.08060	2.5
177.05440	3.4
177.16348	7.5
183.17461	4.9
191.17949	13.3
199.07599	2.5
205.19562	1.8
209.19049	2.0
213.04037	1.4
231.05054	3.5
247.24200	43.7
249.05894	1.8
265.25269	74.6
283.26321	23.8
291.01456	1.4
355.26270	1.9
411.41418	1.2
531.26495	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	0.6
55.05511	8.8
56.96553	0.8
57.03437	3.6
57.07051	1.0
59.24921	0.6
65.03925	0.8
67.05507	16.6
69.07073	8.7
71.08589	0.9
71.59493	1.2
79.05491	4.5
81.07062	16.3
83.04966	1.1
83.08617	4.6
91.05486	3.3
93.07044	6.5
95.04908	1.0
95.08608	13.6
97.06524	1.3
97.10146	1.5
100.55544	0.6
105.07057	3.2
107.08607	4.8
109.10145	4.4
115.03692	0.9
116.98637	0.6
117.97442	0.7
118.77138	0.6
119.08564	2.9
120.30726	0.6
121.10129	2.9
123.11711	2.0
131.08611	0.8
133.10112	1.9
135.07933	0.8
135.11674	2.2
143.08583	0.7
146.72272	0.6
147.11702	1.4
149.09711	0.7
149.13255	1.4
154.61227	0.7
156.97453	1.0
161.13248	0.8
174.98578	1.7
176.99298	3.6
188.45482	0.7
195.00307	100.0
205.19408	0.7
213.00131	2.3
217.59322	0.7
249.19124	0.7
277.21719	1.2
287.09055	0.7
337.27383	18.1
377.26865	0.8
378.61176	0.6
513.43341	0.7
531.26880	28.5
531.44141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.8
55.01863	6.1
55.05516	17.9
55.36094	1.7
57.07083	3.2
61.02934	2.3
65.03951	3.8
67.05505	32.6
68.99799	3.9
69.03434	40.2
69.07067	16.0
69.28432	20.3
71.04986	5.4
73.02931	2.4
74.81222	1.8
79.05495	23.2
81.03423	32.1
81.07062	36.4
83.04984	7.0
83.08627	9.8
85.02906	20.3
85.06511	1.6
87.00838	4.4
91.05487	31.1
93.07044	52.5
95.04981	17.6
95.08609	100.0
97.02898	18.3
97.06530	6.3
97.10165	4.4
99.04453	6.4
105.07037	49.3
107.04974	8.6
107.08595	62.4
109.02872	18.1
109.06516	8.2
109.10158	44.2
111.04448	26.4
111.08039	2.0
115.03925	5.1
115.05499	3.3
117.07013	9.3
119.08586	65.2
121.06518	8.8
121.10147	58.5
123.04415	11.3
123.08065	4.6
123.11728	13.7
125.05998	10.5
127.03912	33.3
128.06229	5.3
129.07021	8.5
131.08569	26.1
133.06485	3.4
133.10130	59.2
135.08105	4.6
135.11708	30.6
137.05984	6.3
137.09599	3.1
139.03926	2.5
139.07544	6.2
141.01854	2.5
141.07021	3.9
142.07794	7.3
143.08562	18.3
144.09319	4.0
145.06523	3.8
145.10124	30.9
147.08025	7.8
147.11702	23.0
149.06010	3.0
149.09639	5.6
149.13257	11.3
151.07532	5.6
151.11186	2.3
153.07024	2.2
155.08585	8.7
156.09348	7.2
157.10146	24.9
159.08066	8.1
159.11702	29.6
161.06004	2.6
161.09674	9.7
161.13278	19.0
163.07500	3.9
163.11209	3.3
163.14830	5.7
165.06944	2.5
165.09155	5.8
167.08542	3.6
167.10632	2.6
168.09317	3.2
169.10139	14.9
171.02843	3.3
171.08173	3.2
171.11725	27.7
173.09634	11.0
173.13246	17.7
175.11179	5.7
175.14859	7.4
177.09131	6.1
177.16370	4.3
179.10764	9.8
181.10190	6.6
182.10944	3.6
183.11703	13.2
185.09619	7.4
185.13292	20.1
187.11223	15.4
187.14822	10.2
189.09192	3.0
189.12675	2.9
189.16373	9.1
191.10681	9.0
193.10173	2.6
193.12288	3.7
195.11758	5.6
197.09647	2.5
197.13246	10.2
199.11166	8.9
199.14749	10.0
201.12787	7.4
201.16443	6.0
203.10744	5.4
203.18010	7.5
205.12227	17.4
207.11743	4.2
207.13722	3.1
209.13309	6.8
211.11194	6.5
211.14848	6.0
213.03967	8.2
213.12756	12.1
213.16396	5.0
215.10735	3.0
215.14334	5.1
217.12209	13.9
219.13875	7.3
221.13319	4.2
221.15460	2.3
223.14754	3.5
225.12796	4.5
225.16345	7.4
227.14293	5.4
227.18008	5.4
231.13794	19.8
233.15363	3.3
237.12804	2.4
239.14354	2.5
239.18004	6.6
241.15813	3.1
241.19579	7.7
243.13930	3.4
245.15434	9.3
249.16548	2.6
253.15829	3.1
253.19696	2.4
255.21034	9.4
257.22568	2.2
259.17078	2.6
267.17520	3.2
269.19037	6.9
271.16977	2.6
273.18332	2.0
283.17130	3.5
283.20596	14.8
285.18521	9.6
287.20074	37.5
297.18454	4.2
299.20056	13.0
301.18289	4.3
301.21634	72.5
311.20044	4.8
313.21753	7.1
319.22678	2.2
323.20010	7.4
325.21661	4.6
329.21124	4.9
341.21106	4.1
359.22281	3.6
365.21555	2.1
367.22815	5.3
379.22653	3.4
381.24591	3.2
391.22675	25.8
409.23764	38.2
427.24841	17.9
445.26099	2.6
495.23740	5.2
513.24854	32.6
531.26178	22.5
531.33966	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	531.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.6
57.47173	0.5
58.29301	0.5
63.02362	0.8
66.78435	0.5
67.05485	0.9
69.03427	1.0
69.07046	1.0
70.06586	0.8
70.64886	2.1
79.05474	1.2
81.03419	0.7
89.03408	0.9
89.03915	12.6
91.05456	1.3
93.07037	1.4
95.04948	1.2
97.02837	0.6
105.07079	0.5
106.04172	0.6
107.04926	1.6
109.02887	0.5
109.10208	0.8
117.03377	26.6
119.08552	0.6
127.03834	0.7
133.10156	1.0
134.03622	2.5
135.04414	13.6
145.02843	56.6
149.05977	7.7
163.03905	50.4
165.09048	0.7
167.07019	0.7
177.05467	100.0
178.05847	1.0
179.10648	0.7
186.00040	0.7
186.05550	2.7
207.10104	0.6
225.11249	2.1
226.11545	1.2
282.23431	0.5
316.19739	1.1
319.08096	1.8
513.13812	2.3
531.27124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1499
Annotation	CHEBI:88343
Peak:m/z	Relative Intensity
54.22456	0.4
54.73481	0.4
57.06442	0.4
63.02373	0.9
69.68625	2.1
79.05492	1.0
79.29221	0.4
85.03468	0.4
89.03924	13.8
90.23041	0.4
91.05477	1.0
95.04980	0.7
103.05470	0.4
107.04960	1.8
117.03384	27.9
134.03680	2.2
135.04420	16.2
145.02849	59.1
146.03235	0.5
148.99222	0.4
149.05971	7.7
163.03906	63.6
164.04237	0.9
177.05473	100.0
178.05843	1.1
181.04935	0.5
186.05501	1.8
231.23859	0.4
237.23590	0.4
255.38583	0.5
288.29489	0.4
311.12924	0.5
312.04379	0.4
319.08084	2.3
333.09653	2.2
337.09296	0.6
351.11206	0.7
474.61258	0.4
482.17203	0.4
513.13922	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	530.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41659	5.6
53.03954	5.3
55.05509	19.7
57.03435	15.0
58.37575	5.3
67.05512	35.5
68.04412	4.9
69.03426	12.0
69.07056	7.3
69.51920	32.7
69.52328	9.0
71.04968	8.8
74.09721	6.5
76.00357	4.8
79.05483	28.8
81.03423	82.3
81.07066	33.6
83.04975	22.1
83.08616	21.4
85.02905	34.8
91.05482	42.4
92.11769	5.7
93.07067	23.4
95.04974	27.9
95.08617	12.9
97.10175	7.5
98.20755	11.4
105.07035	30.5
107.04964	7.6
107.08591	8.9
109.06528	7.6
109.10182	6.9
111.08087	13.4
115.05401	5.1
119.08577	26.5
120.36236	5.2
121.06380	4.3
121.10135	15.2
129.07014	14.2
131.08565	13.5
133.10124	13.6
141.43828	4.8
145.10199	5.1
147.11697	17.0
147.97343	5.0
157.10149	13.7
160.16231	5.2
165.12794	6.4
166.43297	5.8
175.11194	19.0
182.12923	4.8
193.12280	59.4
211.13278	97.6
267.15903	26.9
285.16965	100.0
364.13837	5.4
364.63824	6.5
459.27209	14.3
477.28461	18.4
495.29678	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	530.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.3
67.05503	24.4
69.03423	7.5
69.07056	2.8
78.96847	2.3
79.05478	5.4
79.09999	2.3
81.03394	6.2
81.07050	12.9
85.02895	5.0
86.09690	3.9
91.05477	11.2
93.07027	11.2
95.04965	4.9
95.08635	16.3
95.09133	3.1
97.02911	13.7
97.06516	6.1
98.20689	5.4
99.08105	2.9
102.13324	2.8
105.07021	15.1
107.04961	3.9
107.08614	19.1
109.02891	6.7
109.06535	5.3
109.10153	100.0
111.04455	5.6
111.08059	4.0
113.05996	2.4
115.19794	2.4
117.07072	2.7
118.48500	2.4
119.08590	33.9
121.06500	4.9
121.10146	8.3
123.08051	3.9
123.11719	4.3
125.09674	2.9
127.03924	10.3
128.01256	2.4
133.06474	10.3
133.10107	21.0
135.11717	4.2
137.09619	9.3
137.13307	2.8
143.08551	6.0
145.10112	4.8
147.04395	5.6
147.08072	16.2
157.10110	3.4
159.11703	5.1
161.09656	16.0
163.03871	2.7
163.11176	2.4
165.09102	22.3
171.11635	3.1
179.10655	14.9
185.09743	3.4
187.11229	4.8
189.09160	12.2
199.11160	4.1
207.10150	19.1
209.11729	4.0
219.13820	5.2
225.11224	76.6
255.17444	2.5
269.18918	4.0
273.18506	3.1
297.18469	11.5
315.19568	28.7
333.20575	36.9
506.01184	2.7
530.24310	5.0
531.18469	2.9
550.33795	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.3
67.05503	24.4
69.03423	7.5
69.07056	2.8
78.96847	2.3
79.05478	5.4
79.09999	2.3
81.03394	6.2
81.07050	12.9
85.02895	5.0
86.09690	3.9
91.05477	11.2
93.07027	11.2
95.04965	4.9
95.08635	16.3
95.09133	3.1
97.02911	13.7
97.06516	6.1
98.20689	5.4
99.08105	2.9
102.13324	2.8
105.07021	15.1
107.04961	3.9
107.08614	19.1
109.02891	6.7
109.06535	5.3
109.10153	100.0
111.04455	5.6
111.08059	4.0
113.05996	2.4
115.19794	2.4
117.07072	2.7
118.48500	2.4
119.08590	33.9
121.06500	4.9
121.10146	8.3
123.08051	3.9
123.11719	4.3
125.09674	2.9
127.03924	10.3
128.01256	2.4
133.06474	10.3
133.10107	21.0
135.11717	4.2
137.09619	9.3
137.13307	2.8
143.08551	6.0
145.10112	4.8
147.04395	5.6
147.08072	16.2
157.10110	3.4
159.11703	5.1
161.09656	16.0
163.03871	2.7
163.11176	2.4
165.09102	22.3
171.11635	3.1
179.10655	14.9
185.09743	3.4
187.11229	4.8
189.09160	12.2
199.11160	4.1
207.10150	19.1
209.11729	4.0
219.13820	5.2
225.11224	76.6
255.17444	2.5
269.18918	4.0
273.18506	3.1
297.18469	11.5
315.19568	28.7
333.20575	36.9
506.01184	2.7
530.24310	5.0
531.18469	2.9
550.33795	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01863	1.3
55.05514	2.6
61.02920	1.1
65.03933	1.3
67.05505	8.0
69.03432	12.1
69.07075	2.0
69.36961	5.5
69.37384	3.5
71.04964	1.0
79.05490	4.7
81.03427	4.3
81.07063	10.1
83.04977	2.0
83.08632	1.5
85.02905	3.4
88.78588	0.8
89.84375	1.0
91.05485	8.9
93.07056	12.8
95.04960	2.5
95.08607	10.3
97.02907	14.1
97.06530	3.1
99.04513	1.3
103.05509	1.2
105.07042	16.6
107.04984	2.4
107.08599	16.2
109.02879	11.8
109.06538	5.5
109.09457	1.6
109.10164	24.8
111.04430	5.2
111.08079	2.7
115.05465	1.4
117.03367	2.8
117.07035	1.5
119.04965	4.7
119.08587	34.5
121.06509	3.2
121.10162	8.1
123.04402	1.2
123.08114	5.3
123.11716	4.5
125.09669	1.0
127.03947	7.9
131.08569	2.6
133.06500	4.6
133.10135	26.5
135.04405	1.3
135.08061	6.8
135.11716	5.0
135.12572	0.9
136.95351	0.9
137.05994	2.1
137.09631	2.9
143.08578	4.3
145.02852	5.1
145.06531	1.5
145.10106	5.6
147.04414	21.4
147.08060	15.6
148.04674	1.1
149.06013	1.7
149.09621	3.7
151.11153	4.4
155.08514	1.1
157.10132	3.0
159.11696	5.9
161.09618	20.0
161.13309	1.1
163.03905	3.0
163.07570	1.2
163.11168	3.8
165.09131	21.5
167.07137	4.2
167.08330	1.0
169.10075	1.5
171.11723	2.1
173.09628	1.2
173.13245	1.9
177.05496	9.5
179.10703	17.8
181.10120	1.6
185.09612	1.2
185.13277	1.1
187.11169	2.5
187.14828	1.9
189.09111	16.2
191.10625	1.1
199.11168	1.6
199.14925	1.7
201.12686	1.6
203.10695	0.9
207.10181	29.6
209.11694	1.8
211.14920	1.3
213.12807	0.9
213.16426	1.2
219.13896	1.9
225.11237	100.0
231.08405	1.5
236.15437	0.9
243.12206	1.6
250.16670	1.0
251.17989	1.3
255.17381	1.7
269.19083	1.9
273.18515	3.7
275.07202	0.9
279.17368	2.0
287.16837	1.2
287.19928	4.9
291.12381	1.2
297.18472	11.8
315.19580	43.7
333.13556	5.5
333.20630	11.6
338.07614	1.2
342.38995	1.0
351.21729	1.1
369.15405	4.1
459.23657	3.1
477.18268	1.6
477.24954	29.5
512.19977	1.4
531.24084	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04347	2.1
67.05504	20.6
69.03429	5.3
69.07063	3.3
79.05509	5.8
81.07072	11.4
86.33493	1.8
88.81580	2.4
91.05487	5.6
93.07060	9.4
95.08608	15.5
97.02910	9.3
105.07066	10.4
107.08611	18.1
109.06538	4.2
109.10162	100.0
111.04468	7.0
119.08576	28.9
121.10157	7.2
123.08094	5.1
123.11724	2.8
131.08592	2.6
133.06520	4.3
133.10146	21.6
135.08078	3.0
135.11690	3.0
136.96860	2.2
137.09636	4.6
143.08577	3.3
145.10162	5.1
147.08078	14.8
147.11752	2.4
151.11183	3.9
157.10130	4.0
159.11670	2.3
161.09605	11.5
161.13271	3.0
163.11269	2.3
165.09143	18.1
171.11722	2.3
173.13300	3.0
179.10683	12.9
180.77928	2.0
187.11201	5.4
189.09109	13.4
207.10194	17.5
209.11807	5.2
209.90231	2.1
214.61440	2.1
219.13754	4.3
225.11230	60.9
255.17403	4.7
268.01541	2.2
269.18912	3.2
287.16800	2.2
287.20154	4.3
297.18469	8.2
315.19513	24.3
333.20624	31.4
359.69174	2.0
420.20792	2.3
530.33582	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	530.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04092	5.8
59.53389	5.1
62.25770	5.4
63.01305	5.5
67.05506	19.2
67.70033	4.9
69.03424	10.9
70.84068	17.1
81.03448	6.9
81.07059	16.2
83.08628	4.9
85.02908	9.2
91.05501	12.9
93.07046	24.5
95.04933	7.8
95.08628	26.2
97.02891	22.6
97.06528	11.1
105.07035	20.1
107.08598	21.8
109.02897	9.7
109.06534	10.4
109.10162	100.0
111.04399	7.5
117.06996	7.6
119.08578	39.5
121.10141	13.9
121.37382	5.1
123.08112	10.0
127.03899	7.6
133.06500	11.0
133.10107	32.0
135.08121	7.1
135.11790	7.4
143.08568	6.1
145.10126	10.6
147.08047	18.8
157.10121	7.5
159.11708	8.4
161.09633	20.1
165.09116	20.9
179.10664	11.4
187.11179	6.7
189.09119	18.9
207.10184	24.1
219.13879	9.2
225.11252	80.3
287.20209	7.6
297.18570	19.8
315.19601	41.2
333.20618	47.6
441.22467	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	530.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01876	1.4
55.05519	1.9
57.03440	2.0
57.07074	1.4
59.05024	1.2
63.55851	0.9
67.05502	9.5
69.03428	10.7
69.07083	2.5
70.99904	2.9
71.04996	1.4
77.98686	1.0
79.05497	5.9
81.03426	4.9
81.07067	8.0
83.04990	2.1
83.08646	1.1
85.02895	5.9
91.05473	9.0
93.07047	16.4
95.04965	2.4
95.08613	13.7
97.02899	13.1
97.06527	5.0
99.04439	1.5
105.07029	17.7
107.04974	2.0
107.08588	17.5
109.02873	10.0
109.06542	8.1
109.10155	27.5
111.04453	5.2
111.08102	2.7
117.07053	2.5
119.08585	37.5
121.06557	3.7
121.10172	12.0
123.08072	6.9
123.11732	4.3
125.87980	1.2
127.03909	9.5
127.04712	1.1
129.07007	1.2
131.08617	4.1
133.06508	6.5
133.10130	29.1
133.11057	2.0
135.08051	8.4
135.11705	6.0
135.89799	0.9
137.05960	1.9
137.09578	5.3
143.08595	5.0
145.10197	5.8
147.08052	19.1
149.09666	3.3
151.07555	2.4
151.11218	3.9
155.08588	1.4
157.10168	4.4
159.11652	5.1
161.09624	22.0
163.07507	1.8
163.11198	3.5
165.09111	25.5
167.10777	1.2
169.10143	1.7
171.08134	1.8
171.11771	5.0
173.09685	1.2
173.13329	3.2
177.09224	1.2
179.10680	19.5
185.09698	1.2
185.13261	2.0
187.11252	3.6
187.14882	1.9
189.09114	21.6
191.10594	1.1
195.11765	2.1
199.11201	1.7
199.14804	2.3
201.12679	1.5
205.12286	1.2
207.10175	31.6
207.12007	2.0
209.13425	1.6
211.14922	2.3
217.12292	1.2
219.13779	1.6
225.11218	100.0
226.11600	1.4
227.10681	1.1
227.17993	2.5
241.12300	1.3
241.19647	1.0
243.12115	1.8
251.17963	2.3
255.17555	3.0
269.19043	2.9
273.18552	4.6
279.17450	1.7
287.17236	1.0
287.20111	4.5
291.12268	1.9
297.18515	13.0
315.19559	51.3
333.13480	4.5
333.20660	13.9
369.15451	5.8
405.16379	1.0
459.23914	3.1
477.24854	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	530.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82944	2.9
67.05505	20.3
69.03447	5.1
69.42657	2.7
69.53963	14.1
69.54369	6.4
76.19310	2.6
79.05507	4.7
81.07047	10.7
85.02921	4.0
91.05489	5.2
93.07048	6.0
95.08598	15.3
97.02900	8.0
97.06538	5.4
98.21472	3.8
105.07032	10.3
107.08595	13.2
109.06555	3.8
109.10164	100.0
111.04426	6.7
111.08101	4.4
113.06023	2.8
119.08586	26.2
121.06541	3.2
121.10175	7.4
123.08127	3.7
123.11723	3.7
133.06517	6.8
133.10126	22.4
135.08070	3.3
135.11662	4.2
137.09654	4.3
143.08496	3.0
145.10120	5.1
147.08054	16.5
147.11626	2.4
159.11768	3.4
161.09633	11.7
163.11279	3.4
165.07979	2.5
165.09108	16.5
173.13408	2.4
179.10645	12.4
187.11140	2.4
189.09108	11.7
201.31903	2.5
207.10152	20.3
209.11763	5.0
219.13829	5.8
225.11220	80.4
255.13954	3.6
255.17337	4.0
269.19156	4.3
287.19949	3.9
297.18506	10.2
315.19565	28.1
328.64697	2.5
333.20676	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	530.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05514	2.2
67.05511	4.8
69.03423	1.8
69.07070	3.1
70.06583	1.9
71.04996	1.7
71.59167	1.1
72.08140	1.0
79.05490	3.3
79.38550	0.6
81.03431	1.4
81.07059	4.1
83.04970	1.3
85.02904	2.3
86.09741	1.1
91.05480	5.2
93.07059	6.4
95.04968	2.3
95.08609	16.0
97.02888	2.4
97.06569	1.3
97.10176	0.7
99.04472	1.9
99.08096	49.1
103.05460	0.6
105.07036	11.3
107.04953	2.1
107.08600	8.1
108.05743	3.4
109.02891	2.6
109.06528	2.0
109.10181	1.5
111.04430	3.0
111.08047	1.2
113.06019	2.0
119.04915	0.9
119.08578	5.2
121.06524	2.8
121.10147	7.8
123.08075	100.0
124.08389	0.9
125.05957	1.8
127.03929	2.4
129.06950	0.6
131.08560	1.0
133.06490	3.6
133.10126	5.4
135.08075	0.9
135.11647	1.0
137.05972	1.4
137.09625	0.7
139.03876	0.9
139.07541	2.5
141.05434	1.1
141.09087	6.1
145.04933	1.2
147.04469	0.6
147.08044	1.4
147.11707	7.5
149.09650	3.1
149.13251	1.5
150.05579	3.4
151.07570	2.2
151.11133	0.8
161.05989	5.8
163.11272	0.8
165.09152	1.2
165.12773	2.5
175.11215	3.2
177.05437	1.4
181.12283	2.0
193.08612	7.6
193.12242	12.4
204.85277	0.6
209.11726	0.7
211.13300	20.8
235.83789	0.6
246.14919	0.8
248.73163	0.6
283.15445	0.7
285.09909	0.7
294.05240	0.7
308.10846	0.7
322.09659	0.7
333.20523	4.4
338.07214	1.4
351.21704	33.7
369.22668	3.0
433.74988	0.6
494.23801	0.7
530.22021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44956	1.3
52.20349	1.5
53.03942	1.7
55.05503	6.7
57.03416	2.9
65.03934	1.8
67.05511	19.0
69.07065	7.6
69.32497	16.7
69.32780	1.5
71.04979	2.1
79.05496	16.6
81.03444	1.5
81.07059	21.2
83.08620	3.6
84.90627	1.8
91.05481	13.3
93.07040	18.7
95.04994	3.8
95.08612	15.0
97.06541	1.8
97.10166	1.9
101.89889	1.4
102.93668	1.4
105.07037	13.8
107.08594	9.3
109.10155	4.2
114.69846	1.7
117.07032	6.8
119.08610	8.0
121.10155	6.9
123.11758	1.6
129.07021	2.9
131.08574	11.2
133.10155	5.0
135.08083	1.6
135.11694	3.6
143.08578	5.5
144.09245	1.5
145.10144	8.4
147.11713	3.2
149.13322	3.4
155.08569	4.6
157.10149	6.1
159.11729	5.8
161.13272	2.7
169.10156	2.5
169.63474	1.5
171.11674	4.0
173.13359	2.5
183.11620	3.0
185.13254	2.4
187.14828	1.8
195.13686	1.7
197.13210	2.3
199.14815	2.2
201.16377	2.3
211.14729	1.7
255.05144	1.6
405.86142	1.5
419.33072	1.7
437.34241	10.7
455.35309	5.3
473.36307	2.4
511.37830	4.6
512.97949	1.7
529.38916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.6
53.91879	3.7
55.01857	7.6
55.05500	8.2
58.18274	3.8
67.05506	21.3
69.03422	17.3
69.07066	5.8
79.05491	9.8
81.03418	22.3
81.07065	25.2
81.62385	4.7
83.04972	7.4
83.08602	5.4
85.02900	8.4
85.06562	4.4
91.05487	18.6
93.07069	31.2
95.04989	8.8
95.08622	21.8
97.02888	20.4
97.06533	15.8
105.07030	36.3
105.26319	3.7
107.04937	4.8
107.08591	40.4
109.02871	36.4
109.06503	12.4
109.10162	72.7
111.04446	20.3
113.06021	4.4
117.07008	6.2
119.08584	56.8
121.06533	7.2
121.10174	21.1
123.04422	6.3
123.08077	12.4
123.11698	10.6
127.03916	61.4
129.06935	8.2
131.08557	10.1
132.12209	3.9
133.06519	19.9
133.10124	48.5
135.08035	14.2
135.11707	11.3
137.05861	5.0
137.09618	10.2
142.07791	4.4
143.08604	6.9
145.04907	4.7
145.10091	12.2
145.15312	3.5
147.08081	30.1
151.11131	4.2
155.08630	4.2
157.10120	10.0
159.11710	12.8
161.09644	32.2
163.11185	13.3
165.09096	35.4
171.11707	10.0
173.13338	5.7
174.66096	3.9
174.90413	3.9
175.11243	4.8
179.10677	26.5
185.09613	13.4
185.13277	5.1
187.11200	12.4
189.09023	21.0
197.13174	3.9
199.11160	25.8
203.10681	5.8
204.28204	4.3
205.12376	5.1
207.10100	35.8
209.11732	4.9
217.12227	15.0
225.11212	100.0
235.16884	7.6
270.17200	4.2
287.19788	6.8
297.18402	19.1
315.19604	47.4
331.18951	7.4
333.20609	19.6
338.89951	4.6
351.14468	6.1
357.20731	4.7
369.20660	5.6
375.21655	8.6
381.47916	4.3
423.21646	10.3
441.22711	35.2
459.23804	48.3
477.25101	11.4
495.29541	4.7
530.34601	5.6
531.35022	13.4
531.58948	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	528.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69639	0.7
55.05509	6.6
57.03439	6.8
57.07079	12.4
58.76925	0.8
59.04994	3.3
61.02917	1.2
67.05502	1.1
69.03432	18.6
69.07071	49.0
71.04990	3.6
71.08271	1.4
71.08629	11.2
73.06552	8.9
75.04480	1.1
81.03406	2.0
81.07057	2.2
81.34896	0.8
83.08614	1.6
85.02908	14.1
85.10172	4.2
87.04475	13.0
89.06034	30.8
91.05450	1.3
93.07041	1.7
95.08579	1.1
97.02898	16.8
97.06500	1.8
97.15939	1.1
98.21481	2.0
99.04432	1.1
99.11751	1.0
104.66222	0.9
105.06971	1.3
107.08617	1.9
108.23397	0.8
109.02879	4.4
111.11722	85.0
115.03938	16.4
119.08594	1.8
121.10126	1.2
123.08042	1.2
125.09624	3.4
127.03947	8.8
129.12759	100.0
133.04976	14.1
133.10152	1.6
145.04942	2.4
147.08044	1.1
147.13928	0.9
161.09599	1.0
170.15434	1.9
199.16945	23.9
217.17996	46.6
225.11263	1.5
237.14854	0.8
295.10379	1.1
349.20242	1.3
375.15671	2.2
391.21051	1.1
457.21896	2.3
475.23227	2.7
528.32404	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	528.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
54.00356	2.6
67.05504	3.9
69.03429	6.6
69.07078	3.0
70.48879	2.9
70.49236	8.0
71.04993	4.8
79.05515	2.3
81.03423	18.0
81.07050	7.3
91.05505	6.7
93.07047	8.5
95.08604	7.9
97.02894	17.6
105.07026	9.9
107.05097	2.3
107.08617	14.2
109.02885	87.7
109.06502	4.6
109.10140	4.7
111.04471	2.1
111.08092	4.3
119.08575	28.4
121.04521	2.1
121.06487	3.2
121.10135	14.2
123.08080	11.6
123.11683	2.4
124.08858	3.2
125.09637	69.2
127.03919	100.0
128.04337	3.2
133.10123	25.4
135.11664	3.7
136.15062	2.3
137.09630	6.8
143.08586	5.2
145.04976	6.6
145.10112	3.4
147.08018	13.6
151.07568	2.7
151.11212	2.7
159.68175	2.7
161.09645	17.5
163.11220	3.7
165.09138	20.8
179.10637	16.4
189.09081	15.6
197.44554	2.4
207.10208	24.3
216.89151	2.3
225.11244	33.6
231.64917	2.3
267.12357	3.3
276.01379	2.4
289.17770	3.3
331.19159	14.9
333.13345	8.3
349.20126	15.6
351.14252	7.5
391.21051	12.9
404.69177	2.3
457.22217	49.3
475.23248	49.1
493.24365	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57946	2.4
53.03937	5.9
55.05494	2.9
69.03414	10.1
69.07072	3.8
71.04965	3.2
71.58959	5.0
79.05473	4.7
81.03425	21.2
81.07038	10.9
85.02905	4.5
88.85345	2.3
91.05485	11.9
93.07042	12.8
95.04938	4.4
95.08611	8.7
97.02898	23.6
99.04454	4.8
105.07037	16.1
105.42548	2.7
106.22803	2.3
107.08615	14.7
109.02885	100.0
109.06508	5.7
109.10176	6.6
111.04470	4.1
111.08073	5.8
119.04967	2.6
119.08588	40.8
121.06521	5.3
121.10144	17.8
123.08058	13.3
123.11734	5.2
125.06007	3.2
125.09637	80.2
125.10551	4.0
127.03922	89.0
131.08582	6.1
133.10133	32.4
135.11661	5.4
137.05916	2.5
137.09621	3.2
143.08551	7.4
145.04947	10.0
145.10156	4.5
147.08040	17.5
151.07571	3.5
151.11203	4.7
157.10100	3.7
159.11775	3.7
161.05965	3.1
161.09630	21.3
165.09132	26.8
171.11676	2.8
179.10674	17.6
189.09108	20.9
207.10190	27.4
225.11198	30.4
267.12164	4.4
331.19003	9.9
333.13293	8.5
349.20123	20.6
351.14352	10.7
391.21103	13.9
407.22137	3.7
421.22153	4.2
427.11490	2.5
457.22287	44.9
475.17038	4.7
475.23270	52.7
493.24405	7.6
511.23587	3.0
528.24847	2.7
529.24066	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	528.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05507	3.1
61.07334	1.4
67.05502	5.2
69.03432	15.4
69.07070	2.9
69.63698	9.8
79.05486	6.7
81.03396	5.1
81.07061	7.9
83.04954	1.5
83.08592	2.4
85.02898	5.5
91.05462	8.0
93.07038	10.1
95.04984	2.7
95.08613	11.3
97.02895	17.3
97.06507	2.6
99.04462	2.1
105.07027	15.5
107.08598	20.1
109.02878	8.8
109.06510	6.8
109.10152	6.1
109.84262	1.4
111.04408	3.5
111.08105	7.4
117.07026	1.5
119.08580	33.8
121.06481	3.2
121.10139	25.8
123.08069	17.5
123.11697	2.6
124.63736	1.3
125.06007	2.0
125.09631	99.7
127.03919	15.8
131.08554	3.6
133.06444	3.5
133.10133	29.9
135.08020	2.2
135.11674	4.7
137.05978	3.6
137.09592	5.2
142.08641	1.7
143.08562	5.0
145.10097	3.8
147.08035	14.3
151.07523	6.4
151.11165	4.7
152.08313	1.3
157.10197	3.6
159.11629	3.6
161.09621	24.9
163.11218	4.9
165.09111	26.0
167.10646	1.7
170.99577	1.4
173.13315	2.0
175.11163	3.2
179.10666	24.6
189.09087	23.7
207.10168	35.1
215.10593	1.7
215.14436	1.9
225.11217	80.8
227.14272	1.9
229.16006	2.6
243.17461	2.0
253.11993	1.7
264.80423	1.5
271.16953	6.1
285.18542	3.2
289.17932	10.3
295.16888	2.0
303.19611	3.3
313.18030	7.0
331.19043	76.1
333.13208	1.8
348.50446	1.5
349.15997	3.2
349.20087	37.2
367.21060	1.9
369.15436	4.0
395.14389	1.6
415.21292	3.4
457.22220	7.2
475.23352	10.8
493.24341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.01862	1.7
55.05513	2.5
57.03438	1.5
59.04996	0.9
59.53690	0.9
61.47363	0.8
63.90252	0.9
67.05504	4.9
69.03427	10.6
69.07066	1.0
69.78336	3.3
69.78762	3.4
71.04983	2.2
71.85513	0.9
72.79398	0.9
73.02908	0.9
79.05498	4.3
81.03421	22.6
81.07066	8.9
82.25668	0.9
83.01385	0.8
83.05003	2.6
85.02903	3.2
91.05488	8.4
93.07046	13.1
95.04985	3.1
95.08610	8.8
97.02892	22.7
97.06544	2.3
99.04480	4.9
105.07035	18.5
107.04980	2.5
107.08591	17.0
109.02881	100.0
109.06512	7.9
109.10170	4.9
111.04464	3.6
111.08071	5.0
119.08585	35.4
121.06500	4.3
121.10146	13.7
123.08071	12.5
123.11687	3.4
125.06026	2.3
125.09633	78.6
127.03920	81.3
128.06229	1.1
131.08589	2.2
133.06496	1.9
133.10135	35.0
133.15945	0.9
135.08070	2.6
135.11713	3.0
137.06046	1.1
137.09630	6.0
143.08542	5.9
145.04965	9.2
145.10146	3.4
147.04428	1.3
147.08049	22.6
147.11681	1.0
149.05931	1.5
151.07588	2.0
151.11179	4.6
157.10107	1.6
159.11726	1.5
161.09618	22.5
163.11217	3.9
165.09119	25.4
173.13222	0.9
175.11172	1.9
179.10677	20.1
185.13219	1.0
187.14932	1.1
189.09106	19.9
190.08591	2.3
197.09657	1.5
207.10173	30.2
207.12065	1.7
225.11220	39.3
225.13370	2.1
229.15979	1.4
237.11205	1.3
243.17535	1.1
249.11357	1.5
253.15770	1.3
267.12241	3.7
271.16849	2.2
285.18582	2.2
289.17941	2.3
313.11929	1.3
313.18005	3.6
315.12292	2.8
331.19022	14.5
333.13208	6.8
339.12238	1.8
349.20090	19.2
351.14386	10.5
357.09918	1.0
367.21124	2.8
369.15714	1.1
373.14075	1.2
391.21069	14.0
409.22150	1.2
421.21991	3.1
439.21103	3.8
457.22223	53.3
458.22067	1.1
475.23306	54.8
493.24307	10.9
528.25873	5.4
529.01288	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11956	1.3
55.05501	2.3
56.96573	1.4
65.03954	2.2
67.05505	2.1
69.03426	4.3
69.07077	2.5
69.70994	1.7
69.71400	7.2
73.69978	1.3
79.05533	2.2
81.03468	1.6
81.07056	4.5
83.05000	1.9
83.08620	2.1
85.02926	6.0
85.06572	1.2
89.03942	3.0
93.07021	3.4
95.04974	1.8
95.08611	8.5
97.02879	2.3
97.06554	1.6
97.10182	1.3
99.04498	1.6
105.07042	4.0
107.08614	4.7
109.02885	4.0
109.06409	1.1
109.10165	3.5
111.04433	6.0
111.08062	1.8
113.05968	1.7
117.03378	6.0
117.18181	1.3
118.03722	3.3
119.08595	6.6
121.10168	4.1
123.08057	1.6
123.11680	1.4
125.09641	3.9
127.03918	7.0
131.08621	2.0
133.06476	1.7
133.10144	6.4
135.04459	1.9
135.11766	1.5
137.05962	2.8
139.03894	27.2
143.08546	1.8
145.02859	14.8
145.10150	3.3
146.03198	4.4
147.08025	1.9
147.11679	2.6
149.05971	3.1
153.05466	2.6
157.10078	3.6
159.08087	3.0
159.11703	4.1
161.09648	2.9
163.03920	5.2
169.10214	1.4
171.11714	2.3
173.09674	3.9
173.13277	2.6
175.07547	2.0
175.11153	2.4
177.05455	24.7
178.05833	10.6
183.11703	2.7
185.13278	4.5
187.11201	2.9
189.09035	3.7
189.12785	1.5
191.14449	1.5
197.13165	1.4
199.14833	1.6
203.10577	2.4
205.08614	2.0
207.10181	2.5
209.13220	1.5
211.11284	1.4
211.14954	1.7
213.12761	2.0
215.10588	1.9
217.05264	1.1
217.12225	2.2
219.10080	1.5
221.08081	3.3
222.08478	2.1
225.16287	2.3
227.14410	1.7
229.12343	3.0
243.13927	1.5
253.15878	2.0
267.17456	4.0
285.18475	18.3
287.05576	1.8
287.19940	2.7
295.17007	2.5
303.19534	5.4
309.07391	1.3
313.17911	13.5
331.19031	23.2
334.10114	2.4
349.20102	100.0
391.59909	1.5
457.22012	1.7
493.24350	1.7
504.99411	1.6
514.63428	1.3
528.15851	1.8
528.24237	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
67.05457	3.5
69.03401	7.4
70.77451	5.9
79.05480	6.7
81.03407	22.7
81.07026	6.5
91.05474	7.9
93.03911	2.2
93.07049	13.2
95.05019	2.6
95.08570	5.4
97.02898	25.9
99.04418	4.0
105.07053	14.0
107.08617	17.4
109.02876	100.0
109.06527	3.9
109.10153	3.6
111.04417	3.0
111.08044	5.1
119.04943	2.1
119.08575	33.9
120.19447	2.1
121.06484	2.7
121.10130	11.2
123.08073	11.8
123.11729	4.6
125.08752	4.9
125.09628	69.7
127.03912	87.1
133.10118	32.6
135.11670	3.3
137.09637	4.0
143.08537	4.7
145.04976	8.1
147.08057	14.9
151.11128	3.8
161.09634	22.7
163.11131	3.3
165.09119	21.9
179.10672	16.0
189.09108	18.2
207.10193	25.2
225.11223	37.3
227.37138	2.5
267.12311	3.6
294.32751	2.9
313.17935	3.0
331.18958	15.1
333.13367	7.1
349.19992	16.6
351.14337	7.1
357.33701	2.4
367.65695	2.6
391.21103	20.7
421.21991	3.3
457.22159	59.3
475.23276	62.8
493.24121	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	528.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.3
55.01890	1.4
55.05507	1.9
57.03425	2.2
67.05497	5.1
69.03428	14.9
69.07064	3.4
69.40154	9.7
69.40559	3.7
70.24879	1.4
79.05484	8.0
81.03407	6.0
81.07047	10.3
85.02908	5.1
91.05476	11.1
93.07060	16.1
95.08605	15.1
97.02892	16.8
98.56795	1.3
99.04446	2.2
105.07036	18.7
107.04970	1.8
107.08590	18.7
109.02887	8.6
109.06532	7.5
109.10186	3.4
109.28703	1.3
111.04449	4.1
111.08081	6.8
113.05991	1.3
117.07072	1.8
119.08583	41.1
121.06500	3.3
121.10148	27.2
123.08075	17.1
123.11740	4.0
125.06007	1.6
125.09637	100.0
127.03912	16.6
129.07002	1.9
131.08586	3.8
133.06503	5.2
133.10133	35.9
135.08046	3.0
135.11691	6.8
137.09631	5.7
143.08592	5.1
143.74406	1.2
145.10101	4.6
147.04346	3.3
147.08057	20.3
149.09697	1.5
151.07530	4.7
151.11220	5.4
157.10159	2.6
159.11725	2.5
161.09637	27.7
163.11154	3.1
165.09116	29.7
165.10497	1.7
167.56577	1.5
171.11682	1.4
173.09598	2.0
175.11212	3.6
179.10699	23.9
179.12204	2.6
187.14905	1.8
189.09114	20.2
197.13234	1.8
207.10164	41.6
225.11223	74.6
229.15753	2.7
243.17351	1.7
253.15880	2.5
271.16998	6.2
285.18570	2.3
289.17963	6.5
295.16971	3.4
303.19537	3.5
313.18103	6.9
331.19055	66.9
333.13284	1.8
337.07040	2.1
349.20090	25.9
351.14624	1.6
367.21219	3.3
369.15326	3.2
391.21399	1.7
415.21051	2.8
457.22104	3.3
475.23306	8.5
493.24362	83.7
494.24911	1.6
528.24316	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58477	1.8
55.01865	3.8
55.05505	2.4
56.96550	2.2
67.05503	3.0
69.03407	3.0
69.41265	7.2
69.41692	8.7
72.94314	1.7
73.02917	2.0
74.06077	3.0
79.05487	3.5
81.03440	2.3
81.07056	4.3
83.05005	2.2
85.02917	3.0
86.09683	2.9
91.05484	4.6
93.07046	4.3
95.08595	2.3
96.08150	3.2
97.02887	4.0
97.06512	2.5
98.21442	3.2
98.97586	3.3
105.07033	4.7
107.08566	3.4
108.08131	2.7
109.02839	1.8
109.06491	3.9
109.10142	3.0
111.49914	1.9
117.03307	1.6
117.52559	2.0
119.08601	9.3
120.08043	2.5
121.10141	3.8
122.53326	1.7
124.07599	40.9
125.08371	4.3
125.09683	2.2
126.09174	30.2
127.03924	3.4
131.08527	2.1
133.10097	2.6
135.04283	1.8
135.08020	3.3
138.09100	3.1
145.07599	2.2
145.10097	2.1
146.06041	2.4
147.04361	3.3
147.08084	3.1
148.07590	4.6
150.09113	4.2
157.69365	1.8
158.08383	2.8
159.06613	1.9
159.09285	1.6
164.07053	2.1
164.10681	13.8
171.09145	4.5
173.07031	2.8
174.09180	3.8
176.10782	2.4
180.10187	1.9
183.09146	2.1
184.07553	2.7
185.07117	6.7
186.07832	4.3
187.14786	2.2
189.06648	3.0
192.10173	23.4
194.11653	2.2
199.08717	10.2
199.59842	1.8
200.09444	3.3
201.06635	12.0
201.10226	4.3
203.08202	2.1
211.08698	2.6
212.06946	2.0
213.06602	5.0
213.10187	3.9
215.08153	2.5
217.06114	2.2
217.09697	6.9
227.08087	12.8
228.05135	1.8
229.06052	4.6
229.09724	7.6
229.12233	1.8
230.06808	2.6
231.07628	4.8
231.11267	4.0
239.08188	3.0
241.06021	4.4
241.09695	7.0
241.16389	1.8
243.07558	5.2
245.09238	13.3
255.07603	14.8
256.08414	6.4
257.05728	7.4
257.09219	75.6
259.07150	2.7
259.10788	5.1
261.08667	2.2
263.99643	1.9
267.07617	4.2
269.09253	6.9
271.07117	4.3
272.07840	2.0
273.08682	29.6
274.09482	3.9
275.06314	2.1
280.14432	3.5
281.15216	3.5
283.07175	32.4
283.10303	3.1
284.07907	7.4
285.08710	39.1
286.09488	10.3
287.10248	39.3
289.08218	2.8
297.08752	9.7
298.09473	3.5
299.10181	8.4
301.08255	24.2
302.08859	2.6
303.09576	8.9
305.07498	2.6
311.06616	3.3
313.08029	2.5
315.09763	19.1
317.20837	2.7
325.08200	4.9
327.09772	12.1
329.07617	19.9
329.11346	15.7
331.19067	3.6
343.09326	13.1
344.10315	1.8
351.13354	20.7
357.10928	2.3
380.16019	2.6
394.17181	2.5
422.17062	15.9
423.11996	8.4
424.18649	9.0
426.20346	2.5
434.17130	2.8
440.18289	3.2
450.16547	19.4
452.18204	63.5
454.19769	41.6
468.17657	14.5
478.15836	8.6
482.19354	28.0
496.17154	100.0
502.83929	2.1
510.18750	22.0
514.18341	21.1
528.19440	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	527.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.8
57.07071	14.3
67.05511	29.9
69.07066	24.6
69.51731	50.5
69.70942	5.3
71.08633	8.0
79.05495	11.4
81.07056	38.8
83.08618	17.4
91.05432	7.8
93.07049	7.1
95.08615	41.7
96.29831	5.5
97.10188	6.8
97.44286	5.7
98.20783	11.2
98.89537	5.7
100.68839	5.8
107.08587	16.1
109.10147	23.4
119.08588	14.4
121.10178	6.2
123.11723	10.2
133.10182	7.0
147.11722	8.0
179.10371	6.2
202.44240	5.6
292.52530	7.1
347.25748	33.1
363.28915	100.0
473.40002	75.7
527.37427	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	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01846	2.0
55.05511	16.3
56.08083	1.3
56.46681	1.4
57.03428	2.9
57.07058	2.0
58.71397	1.4
65.03929	4.2
67.05503	47.9
69.03452	1.3
69.07067	10.6
71.04987	2.5
71.61366	1.8
79.05492	58.2
81.03407	8.9
81.07057	42.5
83.04962	15.0
83.08611	5.4
85.06533	2.1
89.06050	7.1
91.05479	56.3
93.07040	47.7
93.61951	1.5
95.04955	13.5
95.08045	2.4
95.08603	26.1
97.06510	3.8
105.04521	2.0
105.07030	30.2
107.04931	6.9
107.08574	17.1
109.06493	3.3
109.10137	7.3
111.08059	2.1
111.35205	1.7
115.05466	1.6
115.36681	1.4
117.07019	6.5
119.08582	19.5
119.09372	2.3
121.10149	12.4
123.11681	2.1
127.07574	1.6
128.06281	1.5
129.07005	9.4
130.87628	1.4
131.08554	16.4
133.06525	1.8
133.08591	3.9
133.10127	26.5
135.11647	8.7
142.07767	2.0
143.08607	4.1
145.10118	7.4
146.59683	1.5
147.08070	1.9
147.11696	14.5
149.09651	2.3
149.13217	4.9
157.10139	14.6
159.09787	1.6
159.11693	4.7
161.13249	3.5
163.11180	3.3
169.10188	2.1
169.60941	1.5
171.11671	3.2
173.13332	2.5
175.11168	9.7
175.14842	1.7
182.62100	1.4
183.11751	2.1
185.13300	2.2
187.14798	2.2
193.12247	18.1
211.13266	3.9
227.48260	1.5
243.21001	2.7
261.22186	2.8
283.23615	2.4
317.24667	2.2
327.19940	2.3
328.20508	2.8
335.25867	1.6
435.32248	2.4
450.15668	1.9
527.37335	100.0
528.37744	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	527.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
67.05508	0.6
69.03435	1.5
69.07059	0.7
69.54316	1.1
69.54715	2.9
71.04974	0.5
79.05507	2.1
81.03422	1.4
81.07043	2.4
83.04990	2.4
83.08612	0.6
85.02912	1.1
87.00825	0.5
91.05480	1.0
93.07030	2.4
94.10659	0.5
95.04991	1.5
95.08647	1.2
97.02896	3.2
97.06551	1.7
105.07053	1.4
107.04963	0.8
107.08604	1.8
109.02885	0.8
109.10134	0.6
119.08562	2.5
121.10149	0.9
123.08115	0.6
125.05988	6.5
125.06723	0.6
125.09646	4.7
127.03916	0.7
131.12564	0.5
133.10179	2.1
135.11719	0.8
137.06032	0.5
143.07083	1.5
147.04399	0.9
147.08081	1.4
153.73964	0.6
161.09570	1.1
165.09177	1.1
179.10727	0.9
201.03900	1.5
202.97672	0.6
203.05357	1.0
207.10118	1.3
225.11235	4.4
227.05225	0.5
229.03223	0.6
243.04799	2.2
245.06337	2.8
259.09753	0.6
261.18298	1.2
263.20013	1.6
279.19382	7.0
287.03745	18.5
289.05331	31.3
321.18970	1.3
331.19229	1.1
339.20084	0.8
349.20300	1.8
441.24847	1.2
483.25772	9.7
491.26556	1.4
527.24695	100.0
528.25031	2.2
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
51.37299	0.3
69.03454	0.3
70.06584	0.4
71.59572	0.7
75.99717	0.3
76.08729	0.3
81.05813	0.3
81.07062	0.8
93.07036	0.7
95.08579	0.4
97.10178	0.3
105.07021	0.9
119.08598	0.6
127.03963	0.5
133.10077	0.6
135.04337	0.4
147.08044	0.4
160.41559	0.3
163.03934	1.5
164.04282	0.4
185.04330	0.4
202.34012	0.3
227.05293	0.8
230.00677	0.3
245.06343	0.4
251.14812	0.6
261.18295	0.5
271.04327	0.4
279.19409	2.7
289.05334	0.4
321.19318	1.2
330.20178	0.3
423.23532	2.2
441.24487	4.9
447.23663	0.5
465.24622	5.3
483.25641	14.2
509.16052	0.5
509.23611	15.2
527.24658	100.0
528.25122	2.4
553.86633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70382	0.3
56.65232	0.4
60.20609	0.3
67.05500	0.6
69.03435	0.7
69.44265	3.4
79.05504	0.4
91.05495	1.0
93.07050	1.1
95.04971	0.4
95.08617	0.4
97.02911	1.1
100.11231	0.4
101.07159	0.4
105.07061	1.2
105.28777	0.3
109.02975	0.4
110.09689	0.5
119.08620	0.5
120.08108	0.7
123.11657	0.5
125.05920	0.5
127.03877	0.5
133.10173	0.6
137.05922	0.8
138.09160	0.7
143.08519	0.5
145.02908	0.6
145.10078	0.5
147.04420	1.2
147.18721	0.4
157.10071	0.5
161.05919	0.4
163.03862	0.5
166.08691	1.1
167.09023	0.8
173.04227	0.5
173.13319	0.5
177.05467	0.9
199.11424	0.4
210.14734	0.3
256.26752	0.4
295.14105	0.9
330.11969	0.5
333.16797	1.2
337.07083	0.6
351.17807	9.8
361.13873	0.7
362.14294	1.2
393.18927	1.9
447.20181	0.6
495.19498	1.1
509.20081	5.2
527.21014	100.0
528.21429	2.6
536.60352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41626	0.4
59.15975	0.3
62.31742	0.4
65.30129	0.4
65.91621	0.4
98.20708	0.9
100.52202	0.4
101.00892	0.7
115.21430	0.4
116.95513	0.4
119.01940	1.9
127.38416	0.4
131.01920	1.4
132.88512	0.4
134.72176	0.4
137.02983	0.5
143.01941	1.2
144.24895	0.5
145.03493	1.3
146.87839	0.4
149.02879	0.4
155.01904	2.2
156.04243	1.1
157.03520	0.5
161.02971	2.0
167.01955	0.7
171.05154	0.5
173.02971	4.0
185.02927	4.3
185.04291	15.0
187.04549	0.5
197.02942	2.9
203.05318	19.7
209.02943	0.7
215.04143	1.4
221.04649	0.5
227.04097	1.6
229.56250	0.5
245.05042	16.4
257.05023	2.6
263.06189	1.2
275.05988	6.3
289.33081	0.4
305.07266	0.9
335.08420	0.8
347.09479	14.1
347.13635	0.8
365.10480	22.8
383.10361	2.8
527.15741	100.0
528.16302	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88095	0.2
56.06475	0.2
57.03404	0.8
69.03403	0.6
71.58846	0.5
81.03390	0.6
82.99854	0.7
85.02884	0.4
86.99335	0.2
94.99835	0.4
95.01866	0.2
97.02893	1.5
98.97553	0.5
101.00849	1.9
103.21178	0.2
109.02828	0.6
109.22495	0.2
111.23109	0.2
112.01337	0.3
113.00848	0.7
115.02428	0.2
119.01915	9.1
127.02415	0.5
127.03906	0.5
127.62230	0.2
129.57927	0.2
131.01897	4.6
133.03413	0.4
135.53629	0.2
137.01917	0.4
137.02911	1.7
139.02419	0.2
142.03467	0.3
143.01901	5.0
145.03453	4.5
145.04756	0.3
147.01344	0.8
147.05002	0.5
149.02957	1.1
152.02371	0.3
153.03929	0.4
154.03442	0.3
155.01886	7.8
157.03459	3.1
161.02953	8.3
163.04480	1.0
163.32813	0.2
167.01878	3.3
169.03450	1.7
171.01416	0.4
171.05028	2.0
173.02956	13.6
175.04498	1.0
179.01781	1.5
181.03406	0.3
183.05058	0.2
184.04503	0.2
185.02907	18.5
185.04221	20.1
186.03073	0.3
187.04492	2.2
189.06125	0.5
191.04015	0.7
194.03482	0.3
195.17401	0.2
196.04584	0.7
197.02943	11.5
198.03075	0.3
199.04495	0.8
203.05385	24.4
208.04539	0.7
209.02946	1.7
211.04468	0.4
215.03992	7.5
219.01636	0.3
219.07127	0.3
220.04572	0.5
221.04933	1.4
224.04514	0.7
227.03989	4.5
231.07140	0.4
233.05060	0.5
239.03992	1.6
245.05058	62.6
246.05356	1.4
255.07150	0.7
257.05072	6.8
263.06155	4.3
266.05701	0.3
269.05060	0.9
275.06061	14.2
275.56296	0.4
276.06110	0.3
284.06522	0.3
286.07632	0.7
287.05933	1.5
293.07080	1.9
299.06110	0.2
305.07184	5.1
317.07098	0.5
321.10281	2.1
335.08170	1.5
339.11209	0.3
347.09470	22.0
353.09012	0.2
364.59271	0.2
365.10400	30.9
366.10175	0.2
383.10376	3.5
406.12146	0.4
407.10284	1.2
437.11624	0.5
485.19638	0.2
527.15802	100.0
528.16248	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.1
53.03941	0.1
55.01858	0.2
55.05498	0.3
57.03432	0.6
58.02561	0.1
58.52000	0.1
62.01582	0.1
62.83151	0.1
63.02348	0.6
65.03922	0.2
67.05507	0.6
68.99765	0.2
69.03419	0.5
69.07061	0.2
69.82840	0.8
71.04998	0.1
78.04698	0.4
79.05489	0.4
81.03411	0.3
81.07056	0.3
83.04967	1.2
85.02888	0.4
89.03912	8.0
91.05479	0.7
93.07033	0.2
95.04962	2.4
95.08560	0.2
97.02870	0.3
97.06521	0.4
99.04424	0.2
103.05468	0.3
105.07025	0.5
106.04146	0.4
107.04954	1.7
107.08608	0.3
109.06538	0.1
111.04427	0.3
115.08721	0.2
117.03371	22.8
119.04938	0.2
119.08587	0.7
121.06523	0.1
121.10133	0.2
123.08071	0.2
124.05212	0.2
124.34626	0.1
125.05984	5.9
125.09626	2.0
127.03854	0.2
131.04941	0.1
131.08533	0.1
133.10075	0.7
134.03612	1.2
135.04405	1.7
135.11723	0.1
137.05978	0.3
139.03917	0.1
140.06993	0.1
143.07013	0.5
143.08565	0.2
145.02837	53.9
146.03174	0.4
147.04414	0.3
147.08051	0.2
149.05969	7.0
158.06000	0.3
161.08165	0.2
161.09604	0.4
162.03137	0.4
163.03896	0.6
165.09126	0.4
168.06519	0.2
169.06779	0.1
177.05458	100.0
178.05798	0.9
179.10718	0.4
185.04466	0.1
186.05489	2.0
189.09114	0.4
195.06477	0.4
207.10193	0.5
225.11229	1.8
254.92183	0.1
259.59998	0.1
261.21390	0.1
267.12485	0.1
331.19113	0.3
333.09665	16.0
334.09906	0.2
349.20142	0.5
424.18414	0.1
483.25336	0.2
491.26331	0.4
509.27826	0.2
527.15472	7.6
527.23877	0.6
534.39648	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	526.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71892	2.8
55.05492	7.3
57.03442	20.5
57.07063	8.7
59.05008	5.0
60.04549	3.5
61.02929	4.5
67.05494	12.6
69.03077	4.8
69.03433	84.5
69.07072	15.6
70.79615	3.1
71.04964	3.6
79.05501	9.1
81.03425	5.4
81.07065	45.0
82.06583	4.3
82.07388	3.2
83.04978	3.5
83.08615	12.9
84.08176	3.2
85.02428	6.8
85.02911	100.0
86.09724	3.0
87.04477	48.6
91.05467	5.3
93.07050	15.9
95.08607	46.3
97.02895	77.5
97.10169	12.8
98.20760	11.7
98.98468	10.2
99.04464	8.8
104.34532	2.9
105.07008	5.1
107.08589	13.6
109.02856	3.6
109.10164	42.0
111.04472	4.0
114.09104	3.0
115.03932	97.7
117.05516	3.0
119.08607	3.8
120.08099	9.9
121.10201	4.4
123.11717	53.8
126.09103	2.9
127.03914	22.0
133.04970	95.4
135.08138	3.2
135.11687	34.2
135.81023	3.1
137.05995	3.7
137.13280	23.5
138.09154	11.4
145.04956	39.3
147.04410	3.3
150.07634	14.5
157.56061	3.0
159.11707	4.9
163.05988	15.2
166.08783	4.1
176.14362	13.3
177.12749	11.0
177.16438	3.6
179.17952	46.5
194.15411	21.8
195.17387	5.2
197.19032	49.6
201.16432	3.5
211.06194	4.3
229.73161	4.5
240.97633	4.0
241.07045	6.3
259.08218	6.4
274.11987	11.1
277.09048	5.9
291.02954	6.1
292.03110	5.7
292.13113	52.6
293.02597	5.2
295.10263	9.7
329.23245	14.8
361.13986	3.5
526.23511	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	526.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.8
56.96560	1.8
57.03426	5.6
58.02436	1.5
61.02925	5.1
61.81369	1.4
62.06086	2.0
69.03441	9.8
70.06602	1.9
70.54933	1.5
71.01363	1.7
71.04998	2.6
71.60242	2.6
71.60630	1.6
73.02916	3.5
74.88816	1.5
81.03413	3.6
81.07037	2.8
83.04987	3.5
84.12001	1.5
85.02908	100.0
87.04482	2.7
87.51521	1.4
91.03957	5.6
91.05466	4.6
93.07036	12.9
95.01326	17.7
95.04930	2.2
95.08575	3.7
97.02892	28.8
98.97599	2.6
99.04444	3.3
103.03947	4.6
107.08601	15.8
109.02879	6.4
109.10140	4.7
113.02425	2.3
115.03936	2.6
116.98617	1.8
119.04968	2.4
127.03922	30.3
134.99644	2.1
135.11700	19.7
136.07663	1.5
141.00726	3.2
141.01837	67.2
145.04961	67.8
147.03436	1.9
147.04401	12.2
153.11522	2.7
153.12755	38.8
159.02890	13.2
163.03914	3.9
163.06020	26.4
177.00722	2.4
177.03909	4.5
177.05417	3.3
203.07027	2.8
235.28856	1.8
237.02718	2.6
263.96973	1.6
285.06171	2.2
313.43387	1.6
321.08142	13.5
339.09311	4.8
378.18097	1.9
465.12598	1.5
508.27325	2.0
526.13873	3.1
527.15717	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.4
55.05507	9.5
57.03438	11.0
57.05835	1.3
58.06587	3.8
59.05001	2.2
61.02919	1.8
67.05500	12.0
69.03432	40.3
69.06745	2.1
69.07076	12.4
69.60090	6.8
69.60530	4.9
71.04994	3.6
73.02916	1.6
74.83181	1.3
75.04477	2.2
79.05499	7.0
81.03423	4.2
81.07056	37.2
82.07399	4.0
83.04984	3.2
83.08622	8.3
85.02911	30.5
85.06537	6.5
87.04464	21.4
91.05477	9.5
92.05814	1.4
93.07041	11.4
95.04996	2.9
95.08611	45.0
97.02895	34.1
97.06553	10.5
97.10170	5.0
99.08095	8.1
105.07042	12.0
107.08610	8.9
109.02892	2.5
109.06485	2.1
109.10197	7.0
111.08075	2.0
113.09648	2.2
115.03933	40.2
115.07551	2.9
117.03383	1.9
117.07030	1.4
119.08579	22.7
121.10165	8.9
123.08065	6.5
123.11714	2.6
125.05998	1.9
125.09642	3.5
127.03923	5.8
131.08604	1.5
133.04959	33.1
133.10135	16.4
135.11682	11.5
137.09624	2.0
137.13257	11.6
145.02843	3.2
145.05003	3.9
145.10106	2.0
147.04448	2.9
149.13249	2.0
150.07617	4.6
153.12755	1.7
159.11705	2.2
161.13261	65.0
165.09135	4.0
167.14244	1.8
169.05052	1.9
177.05510	5.4
179.14311	100.0
197.15373	86.2
215.16429	48.2
289.05313	5.0
290.05826	1.9
292.27106	3.1
295.10263	2.4
526.23083	17.0
526.31152	3.4
527.23773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41183	1.4
53.03941	2.6
53.66705	1.3
55.05511	17.8
57.07080	21.6
59.96313	1.3
65.03937	2.5
67.05504	73.5
67.39553	1.6
69.07069	23.4
71.04987	7.0
71.08641	12.2
71.31503	3.1
74.09697	1.7
79.05492	26.9
81.07058	93.6
83.04964	3.3
83.08607	15.2
83.25901	1.8
85.06542	7.4
85.10181	8.4
91.05483	13.9
93.07040	24.0
95.04968	2.5
95.08607	91.3
96.69991	1.4
97.06536	5.2
97.10181	11.4
99.08093	5.5
101.69108	1.5
105.07013	12.6
106.86015	1.5
107.08591	17.7
109.06478	1.8
109.10155	41.5
111.08110	3.2
111.11739	2.9
113.09608	2.2
117.07026	1.9
119.08582	11.7
121.10146	20.6
121.10951	2.6
123.08099	2.9
123.11697	19.6
125.09628	3.1
131.08586	6.1
133.10114	10.4
135.08073	1.8
135.11687	15.2
137.09590	2.5
137.13243	8.9
139.11281	1.5
145.10156	7.8
147.11652	10.3
149.09653	1.8
149.13274	5.6
151.11151	2.1
151.14789	1.8
159.11693	4.4
161.13287	8.6
163.14809	2.5
165.12801	4.3
169.07916	1.5
173.13318	2.4
175.14856	4.2
179.14348	5.6
183.13776	1.8
187.14856	2.9
195.14008	1.6
205.15939	2.4
209.15320	2.1
211.20520	7.4
223.16876	2.3
243.21069	8.6
261.22168	18.1
279.23175	33.9
297.24271	3.0
525.45178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78614	0.5
53.03931	0.9
55.01863	1.7
55.05510	2.9
57.03415	2.2
59.04994	1.4
61.02937	2.9
65.03947	0.7
67.05504	5.9
69.03075	1.1
69.03424	13.7
69.07058	1.3
69.86813	3.8
70.06586	2.0
71.04989	5.3
73.02904	1.3
74.06084	0.8
77.37730	0.6
77.40757	0.6
79.05493	6.6
81.03414	4.8
81.07054	19.0
83.04980	7.5
84.08142	1.0
85.02901	38.4
86.09708	0.9
87.04456	1.5
91.03968	1.7
91.05486	4.9
93.07035	8.8
95.04971	4.3
95.08599	12.7
97.02890	11.1
97.06511	2.0
98.21479	1.0
99.04452	1.7
105.07034	3.6
107.08586	7.1
108.05746	1.3
109.02914	3.4
109.06521	6.9
109.10149	4.0
111.08102	0.7
115.03889	0.7
117.69134	0.6
119.08555	1.3
121.06501	18.1
121.10139	5.4
122.07259	1.6
123.08062	23.4
123.11710	1.0
125.09608	2.7
127.03912	10.8
131.08519	1.1
135.08064	4.4
136.08827	46.2
137.05983	1.5
137.09613	28.6
139.11186	2.0
145.04968	12.3
147.04390	0.7
149.05972	0.7
149.09599	4.5
155.10640	1.1
163.03905	2.2
163.05986	4.7
164.53802	0.7
167.10670	100.0
168.11128	1.6
169.12238	4.8
185.11736	5.8
222.16229	0.6
227.12775	0.7
269.13831	1.7
293.13962	1.8
311.14822	3.6
325.11191	3.2
329.15906	7.7
338.85031	0.7
347.17038	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.1
56.96559	3.6
57.03444	2.7
57.07081	12.4
59.04995	3.2
67.05511	20.6
69.03422	6.5
69.07072	54.8
69.47510	2.4
69.47810	21.4
71.04980	3.3
71.08624	4.0
73.06570	2.6
79.05494	17.4
81.03410	5.1
81.07057	100.0
83.04960	5.0
83.08616	20.7
85.02918	13.2
85.06562	11.6
91.05472	13.9
93.07057	32.1
95.04943	5.2
95.08607	73.0
97.02885	8.2
97.06520	20.2
97.10149	6.8
98.20753	4.5
98.97569	8.1
99.04477	3.2
99.08092	4.8
105.07028	17.6
107.04936	5.2
107.08595	30.7
109.02873	7.3
109.06535	2.9
109.10160	35.8
109.74547	2.4
111.08090	12.6
111.11712	15.3
113.09656	2.4
116.98619	8.6
117.07034	4.3
119.08595	15.8
121.06526	2.6
121.10149	21.3
123.08027	2.7
123.11713	37.2
125.09601	3.2
125.13232	2.6
127.03907	5.6
127.11156	3.8
128.98677	2.4
131.08524	3.1
133.06471	2.6
133.10135	9.4
134.99634	5.3
135.11731	19.8
137.05992	2.8
137.13274	32.9
141.12738	8.1
145.04890	3.0
145.10120	3.1
147.04399	2.6
147.08054	2.8
147.11682	10.0
149.13213	15.7
151.14841	5.7
153.12759	16.4
155.14330	16.1
157.10115	2.8
161.13268	9.2
163.03932	5.1
163.11188	2.6
163.14857	11.9
165.12738	4.9
165.16342	4.4
167.14323	4.2
171.13785	10.7
173.02422	4.5
173.15224	2.6
175.14807	3.3
177.05510	2.7
177.16412	5.9
179.14214	3.5
183.13754	2.5
189.16353	4.7
191.18082	5.0
201.16342	3.3
215.07036	8.1
217.19507	7.0
237.02832	4.6
259.09628	3.9
273.25790	11.3
277.10345	2.8
277.17813	3.2
279.26859	10.3
287.03738	2.8
289.05261	7.7
291.26837	40.4
297.27853	8.6
309.27896	32.6
327.28931	7.8
345.29904	10.3
349.16208	10.0
415.16443	2.8
439.22833	7.6
457.20862	11.2
458.20847	2.7
481.24127	19.6
499.21982	3.7
507.22064	4.9
525.19696	59.0
525.22455	72.3
525.30542	9.5
526.17932	4.0
526.24622	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
53.67008	2.8
54.40557	3.0
55.01858	3.3
55.05511	18.1
56.02198	2.8
57.07074	10.2
61.02904	3.5
67.05503	24.6
69.03437	5.2
69.07073	51.5
70.91228	9.4
70.91610	3.2
71.04985	7.0
71.08619	7.7
72.53333	2.9
79.05505	13.9
81.03416	5.9
81.07060	100.0
83.04986	4.9
83.08636	19.1
85.02913	10.6
85.06549	11.2
89.06044	3.6
91.05487	8.5
93.07049	27.7
95.08608	90.6
96.08162	3.7
97.02885	6.6
97.06544	17.2
97.10168	9.7
99.08086	7.0
102.49247	3.0
105.07039	12.8
107.08598	31.0
109.10149	45.0
110.09683	8.7
111.08080	12.0
111.11728	12.5
119.08595	8.9
120.08125	6.7
121.10149	27.2
123.11703	39.2
125.09614	3.9
125.13238	3.8
127.03959	4.4
127.11221	6.2
133.10191	8.8
135.11699	16.7
137.13277	25.9
138.09122	9.3
139.11215	5.9
141.12762	3.4
145.10153	5.1
147.11697	8.5
149.13275	22.0
151.14825	10.4
153.12735	16.4
155.14325	7.9
159.11705	4.7
161.13313	3.1
163.14815	13.2
165.12788	6.9
166.08705	12.5
167.14365	5.2
175.14757	4.3
177.16379	8.0
183.13857	3.9
201.14861	4.0
202.51094	3.1
203.18030	5.3
203.47531	3.2
205.19542	4.2
217.19505	6.1
259.09741	3.6
273.25851	12.6
279.26901	10.3
291.26804	50.9
309.27850	33.5
313.11789	4.4
327.29071	15.3
329.11356	5.3
361.13916	12.2
481.23599	5.3
494.19092	4.2
525.23395	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34254	2.3
53.03925	2.2
55.01854	2.0
55.05510	14.2
57.03425	3.4
57.07069	7.3
59.04996	3.9
65.11156	2.0
65.39530	2.1
67.05500	20.1
69.03432	6.5
69.06723	4.6
69.07069	41.7
70.32712	4.6
70.33082	4.9
71.04986	6.6
71.08631	5.4
79.05468	6.5
79.82430	2.2
81.03423	3.9
81.07056	100.0
83.04989	3.0
83.06108	17.4
83.08622	17.9
85.02901	8.9
85.06535	8.4
87.00813	2.8
91.05485	7.0
93.07055	23.5
95.04937	2.6
95.08607	59.9
97.02885	7.6
97.06506	12.0
97.10165	7.8
98.20872	2.2
99.08106	4.8
105.07024	10.5
107.08591	30.6
109.02903	4.4
109.06552	5.0
109.09446	3.4
109.10158	31.0
111.08089	13.7
111.11726	15.1
119.08582	6.5
121.10159	17.2
123.11715	32.8
125.13306	3.0
127.03909	5.1
127.11213	2.1
133.10144	4.9
135.11674	17.8
137.09563	2.2
137.13251	30.3
139.10185	2.2
139.11206	3.4
141.12721	3.1
147.11665	10.1
149.13261	24.1
151.14867	2.4
153.12744	20.6
154.06250	4.2
155.14311	10.9
161.13231	4.2
163.03903	2.6
163.07547	3.5
163.14844	8.6
165.12744	6.6
167.14265	4.5
171.13774	6.8
173.02354	2.7
175.14824	2.5
183.13881	3.3
189.16438	2.1
191.17982	3.8
195.10226	10.6
197.07561	2.7
215.07005	4.2
217.19533	2.3
273.25821	7.3
279.26846	10.7
287.03784	4.0
289.05292	25.3
291.26779	29.6
294.60620	2.5
297.27954	6.3
309.27866	34.9
315.28748	4.7
327.28894	13.0
345.29886	10.5
481.24042	7.8
518.37537	2.6
525.16180	2.8
525.23279	38.7
525.30359	6.7
526.23395	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
71.38752	2.1
73.23600	1.4
74.90286	1.5
81.07063	2.6
93.07055	1.9
105.07041	2.2
107.08612	2.3
119.08582	5.8
123.04166	2.0
125.05791	1.5
127.72035	1.4
130.62126	1.7
131.08507	2.2
133.10027	2.0
145.10103	2.8
159.11707	2.5
201.16600	2.1
250.00674	2.1
301.21710	1.6
323.19861	11.9
423.25079	24.8
425.26645	65.4
525.31818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3189
Annotation	Oncostemonol A
Peak:m/z	Relative Intensity
67.05501	2.4
69.07076	1.5
70.46095	4.3
79.05506	1.6
81.07072	2.9
86.09718	1.4
89.79946	1.3
91.05477	1.7
93.07047	1.7
93.24727	1.4
95.08611	3.8
105.07004	2.7
107.08569	3.4
109.10184	2.3
116.27793	1.3
119.08584	11.0
119.59907	1.4
121.10121	1.8
123.04197	4.6
131.08537	2.5
133.10150	3.8
139.45314	1.3
143.08577	1.3
145.10129	4.3
147.11655	3.2
157.10094	1.7
159.11633	2.9
177.27499	1.2
185.13269	2.1
199.14754	1.7
323.19778	14.4
330.63046	1.7
423.25040	25.4
425.26563	41.7
443.25342	1.3
525.31854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
66.55511	0.4
67.05480	0.6
69.03420	0.9
69.07055	0.7
71.04975	0.5
71.59792	0.6
74.58250	0.4
79.05488	1.1
81.03387	1.0
81.07048	1.6
83.08615	0.4
85.02892	1.2
91.05464	1.3
93.02116	0.4
93.07044	0.8
95.08601	0.8
97.02894	0.7
97.06508	0.6
99.04493	0.7
105.06966	0.5
107.08596	0.6
109.02862	0.8
119.08539	0.7
120.08127	1.2
122.03678	0.7
131.04935	0.5
131.08572	0.5
133.10112	0.7
135.08025	0.5
137.05972	22.6
138.06313	8.9
145.02789	0.6
147.04401	0.6
149.98050	0.4
150.93860	0.4
163.03893	0.9
177.05453	0.7
181.08598	2.6
182.08980	1.9
203.05264	2.3
245.03839	0.4
257.18918	0.4
259.04849	0.4
259.09720	0.6
259.16711	0.5
259.20758	0.5
271.28308	0.4
289.05206	0.8
290.56357	0.4
345.23996	8.4
363.25113	2.3
384.35059	0.4
437.24921	3.2
439.22891	3.0
443.61322	0.4
444.16705	0.4
481.24246	0.6
494.41858	0.4
525.22705	7.5
525.30292	100.0
526.30646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.1
55.05517	4.4
57.03421	3.9
57.07069	1.4
58.15959	0.8
67.05481	2.8
69.03078	1.4
69.03432	19.4
69.07068	6.7
70.06572	2.1
71.04992	1.3
71.59071	1.9
79.05467	3.2
81.03411	2.2
81.07056	10.8
82.06586	0.9
83.04967	1.9
83.08619	4.2
85.02900	15.4
85.06534	3.1
86.09699	1.4
87.04473	11.8
87.51307	0.8
91.05483	1.9
93.07040	7.3
95.04930	1.3
95.08605	22.8
97.02889	20.2
97.10183	5.4
98.97556	0.9
99.04435	1.6
99.08091	12.4
103.05476	1.1
105.06999	2.8
107.08593	22.8
109.02896	1.6
109.10142	4.0
111.08072	4.4
113.09637	1.6
115.03163	1.3
115.03928	18.8
116.98611	1.1
118.50587	1.1
119.04890	1.0
119.08596	1.2
120.08083	0.9
121.10147	36.6
123.08016	1.3
125.09600	6.2
125.25460	0.8
126.47194	0.8
127.03967	4.2
133.04967	20.9
133.10080	1.5
135.11687	6.8
136.07550	1.9
137.05937	3.0
137.13303	4.3
139.13667	0.9
145.02812	2.3
145.04938	4.4
147.04410	1.8
149.13237	2.8
161.05977	1.2
163.03882	1.6
163.07530	1.3
167.07008	1.3
175.14754	1.1
177.05486	6.1
177.16388	100.0
183.06445	1.1
195.17438	36.3
197.04114	1.1
207.29587	0.9
208.32167	0.9
213.18489	39.6
215.05322	1.7
237.02859	1.1
248.26752	0.9
259.08130	1.6
277.10861	1.6
280.10696	1.3
295.10257	2.6
324.93457	0.8
341.25867	1.0
346.00299	1.0
361.08917	1.5
479.13391	3.3
507.12805	4.8
507.18961	1.2
525.13599	30.4
525.20990	2.3
526.13898	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	525.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
53.62863	2.0
55.01869	8.2
55.05499	8.3
56.96549	3.5
57.03421	5.6
57.07057	5.8
61.02925	4.6
67.05500	16.6
68.29785	1.8
68.76880	1.7
68.99780	2.5
69.03428	34.2
69.07053	7.8
69.39530	17.9
71.04984	4.6
73.02899	3.7
76.23493	2.2
79.05473	7.8
81.03415	23.4
81.07061	22.3
83.04980	6.0
83.08615	3.6
85.02906	30.8
85.06544	64.1
87.00821	8.1
91.05479	14.7
93.07054	14.1
95.04964	6.9
95.08607	23.0
97.02899	20.7
97.06509	5.9
97.29507	1.8
98.97582	5.2
99.04434	8.8
99.08092	80.9
105.01862	4.3
105.07036	26.5
107.04957	2.5
107.08588	19.4
109.02880	33.2
109.06502	9.7
109.10154	16.5
110.10492	2.6
111.04477	4.4
111.08090	3.1
116.98599	4.4
117.07041	2.6
119.04961	2.9
119.08587	32.7
121.06515	2.4
121.10149	25.8
123.04430	2.3
123.08064	8.3
123.11700	7.5
125.09630	28.6
127.03909	33.9
129.01796	2.9
131.08569	6.2
133.10107	17.2
135.08093	2.8
135.11722	5.2
137.05992	2.4
137.09618	7.6
137.13263	3.1
139.07516	2.6
139.11154	7.3
143.08513	3.7
145.04951	6.3
145.10100	11.0
146.99594	2.0
147.02814	1.8
147.04341	2.3
147.08043	5.2
147.11685	25.1
149.09619	3.9
150.05502	9.1
151.11185	3.4
157.10112	9.7
159.02884	6.7
159.11687	9.0
159.13686	1.9
160.64339	1.8
161.09648	8.5
161.13234	5.5
161.57590	2.0
163.03889	4.6
163.11220	3.2
163.14812	2.2
165.09077	10.6
165.12752	16.5
168.06537	6.0
171.11655	8.0
173.13274	5.7
175.11121	4.5
175.14803	6.1
177.12674	2.2
179.10635	3.4
179.14282	9.9
185.13222	9.3
187.14703	2.3
189.09114	2.3
189.12788	2.2
193.12276	2.9
199.14806	9.1
201.16405	12.7
203.14307	4.5
207.10260	3.1
213.03862	2.5
217.15828	2.7
225.11171	6.9
241.19441	9.7
244.99878	1.9
259.09540	2.9
259.20584	100.0
267.14902	2.0
277.17764	2.0
277.21649	7.4
289.05124	4.7
293.12039	2.2
322.35242	2.2
349.16016	6.0
363.17889	2.8
364.20856	2.3
380.66537	2.4
391.17386	2.5
481.23895	8.2
507.22565	4.7
525.19452	64.9
525.28851	22.5
526.18964	2.6
526.26648	5.0
546.06726	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01865	0.8
55.05506	1.2
57.03434	1.2
57.07065	1.1
67.05508	2.4
69.03426	3.7
69.07050	1.3
70.16010	2.0
73.02920	0.5
79.05494	1.6
81.03416	3.2
81.07074	2.6
83.04988	1.0
85.02906	3.6
85.06052	0.3
85.06541	9.0
87.00833	1.5
91.05489	1.0
93.07039	2.1
95.04970	0.9
95.08620	3.9
97.02885	1.7
97.06541	1.8
99.04473	1.0
99.08095	11.1
105.01868	0.8
105.07006	2.9
107.04991	0.5
107.08611	1.9
109.02880	3.1
109.06537	1.4
109.10167	2.0
119.08561	2.8
121.06468	0.5
121.10155	3.7
123.08061	1.1
123.11684	0.9
125.06014	0.7
125.09635	1.6
127.03886	3.1
131.08557	1.1
133.10104	2.5
135.08023	0.5
135.11700	0.8
137.09647	1.2
139.11115	0.5
143.08557	0.8
145.04861	0.4
145.10126	1.5
147.11697	3.3
150.05473	1.0
151.11128	0.9
157.10120	1.4
159.02931	1.0
159.11679	1.3
161.13263	1.2
163.03961	1.1
165.09117	2.7
165.12779	1.7
166.09494	1.2
171.11636	1.1
173.06599	0.6
175.11255	0.8
175.14809	0.6
179.05557	0.6
179.14363	1.1
185.13269	1.6
187.14824	0.4
191.07646	1.0
197.06647	0.4
199.14778	1.1
201.16397	1.9
215.06998	1.2
217.15913	0.6
231.05019	0.6
241.19492	0.8
259.09665	2.1
259.20575	13.4
267.14493	0.6
275.11307	1.9
277.10767	0.6
277.21649	1.4
289.05200	0.5
293.12418	3.3
315.15616	0.5
334.56210	0.5
349.16174	9.7
391.17056	2.0
466.25208	0.5
481.24469	0.9
507.16574	1.2
521.32037	0.5
525.19330	100.0
526.19574	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	47.3
57.03432	16.4
60.04523	10.2
61.02916	10.9
69.03431	11.9
69.61578	30.2
69.62004	11.1
71.04988	7.0
73.02862	7.1
75.04468	12.4
81.03400	5.5
84.04507	6.5
85.02919	19.6
96.04523	7.0
97.02895	31.5
98.97599	74.5
109.02830	6.6
111.17574	5.0
116.98631	100.0
118.34917	5.0
119.01945	20.1
125.35577	6.1
131.01924	6.9
134.99652	95.9
137.02948	5.8
138.05521	23.5
141.01799	6.1
144.06685	5.7
153.00719	24.7
158.01305	11.1
177.00960	8.7
204.08693	10.8
219.01949	11.4
258.99857	49.3
261.03046	29.2
262.03253	9.2
263.02921	5.6
277.00879	77.0
283.00040	6.0
301.01175	15.3
302.01129	7.8
312.89673	6.2
316.98584	11.5
325.28299	6.0
355.93854	8.6
356.93674	8.7
373.94724	6.5
374.94922	5.7
397.95084	12.3
401.01080	49.5
419.01868	6.5
421.94522	8.5
435.90018	7.0
439.13120	5.9
439.95990	16.4
440.95728	13.3
444.53107	6.1
452.94342	7.6
460.90439	6.2
464.92773	5.8
465.89005	7.4
471.20819	6.3
471.87146	6.2
487.35858	7.8
501.91226	16.2
510.38953	8.7
519.91931	30.6
520.91449	13.1
525.01410	26.8
537.92505	38.0
538.92181	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.371
Annotation	PAF C-16
Peak:m/z	Relative Intensity
56.05033	0.4
57.03424	0.2
57.07072	0.7
58.06343	0.2
58.06609	0.3
60.07874	0.3
60.08162	5.2
67.05505	0.4
70.04883	0.8
71.07369	2.5
71.08627	0.5
71.80065	0.2
81.07048	0.4
83.08627	0.2
86.09702	26.4
91.05418	0.2
93.04039	0.2
93.07012	0.2
95.08603	0.4
98.98470	2.3
104.10746	4.3
105.07055	0.2
106.05814	0.2
107.08586	0.2
109.10147	0.4
119.08608	0.2
124.99998	16.9
143.01064	0.5
166.02664	0.2
180.24094	0.2
184.07332	100.0
196.43378	0.2
198.81171	0.2
258.11267	0.2
281.04257	0.2
327.48346	0.2
341.30338	0.3
374.46753	0.2
380.55408	0.2
436.70596	0.2
506.35880	1.7
524.37115	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3711
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.72414	0.5
55.05494	0.9
56.05028	0.7
57.07072	2.7
58.06599	1.5
60.08163	14.7
62.58242	0.5
64.07928	0.5
65.70739	0.6
67.05495	1.2
69.07051	0.8
71.07375	5.7
71.08616	2.0
71.25126	1.3
79.05486	0.8
81.03393	0.6
81.07059	2.2
83.08609	1.2
85.10191	0.7
85.70851	0.5
86.09703	45.2
91.05457	0.7
93.07032	0.9
95.04935	0.6
95.08604	1.6
98.98453	4.3
104.10739	75.6
105.06999	0.8
108.00340	0.6
109.10181	1.0
124.99998	26.8
166.02634	0.7
166.42719	0.6
179.63759	0.6
184.07335	100.0
220.94394	0.6
258.10986	0.6
261.09647	0.6
269.01782	0.5
341.30377	0.8
378.44275	0.6
378.79184	0.6
506.35919	6.8
524.37018	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3711
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
56.05025	0.7
57.07077	3.3
58.06584	1.3
60.08165	16.7
67.05480	0.7
69.07062	0.7
70.52876	1.6
71.07367	6.1
71.08623	2.0
76.87774	0.5
81.07011	0.8
85.10158	0.8
86.09705	49.2
95.08621	1.1
98.98470	3.1
99.77409	0.6
101.85988	0.5
104.10744	100.0
107.88168	0.5
109.10150	0.6
111.71328	0.6
125.00008	25.6
135.31773	0.6
163.01534	0.8
166.02644	0.5
184.07341	97.7
250.69608	0.5
258.11130	1.0
279.26462	0.6
341.30621	2.0
396.12167	0.6
426.84015	0.6
506.36057	9.9
524.37140	44.0
525.37537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72380	1.3
53.03953	1.4
55.05511	5.5
57.03440	10.3
59.04976	3.2
60.04514	2.3
67.05490	4.4
69.03073	2.7
69.03429	34.8
69.07066	7.2
69.16617	1.3
69.55043	1.6
69.55417	12.8
70.06589	2.4
71.04987	2.4
75.04476	2.8
79.05502	2.9
81.03419	3.2
81.07060	12.9
83.04992	2.4
83.08621	4.3
85.02901	32.3
85.06543	3.7
87.04472	23.4
91.05481	3.6
93.07054	10.3
95.08609	21.5
97.02883	31.2
97.10150	5.3
99.08099	6.2
105.07042	4.2
107.08596	28.7
109.02844	1.9
109.10152	8.6
111.04436	2.4
111.08069	2.0
111.28343	1.5
115.03929	38.9
119.04916	1.6
119.08582	2.7
121.10146	44.6
121.11015	2.2
123.04523	1.7
123.11704	3.7
125.09635	3.9
127.03893	5.1
132.28322	1.6
133.04962	40.1
135.11700	11.4
137.05957	2.6
137.13248	11.5
139.11169	1.5
145.04977	8.0
147.04405	4.9
149.13216	3.7
150.07568	3.5
158.99783	1.5
163.05933	1.9
166.08708	1.9
177.16388	100.0
182.91911	1.6
187.06000	1.7
188.38481	1.4
195.17439	24.7
213.11139	2.7
213.18478	30.1
241.07060	1.9
263.25027	1.5
276.60425	1.6
277.09189	2.1
295.10187	4.1
309.20416	1.6
327.35165	1.7
451.93002	2.0
454.06821	1.9
524.17682	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01861	0.3
57.93385	0.2
67.05499	0.5
69.03434	1.0
69.07043	0.3
70.13242	0.4
70.13639	0.4
79.05470	0.2
81.03423	0.4
81.07056	0.7
83.04927	0.3
83.08651	0.3
85.02892	1.0
86.64546	0.2
91.05485	1.0
93.07068	0.3
95.04984	0.7
95.08616	1.1
96.08934	0.4
97.02889	100.0
98.03242	0.5
98.21424	0.3
99.04485	0.3
103.05503	0.3
105.03390	6.6
105.06980	0.4
109.02887	0.3
109.10139	0.3
114.05538	0.3
119.08571	0.3
119.71562	0.2
127.03934	0.6
131.04918	0.3
137.05972	2.6
145.02898	0.3
147.04410	0.4
147.11684	0.3
163.03941	1.0
219.06525	3.8
226.77618	0.2
237.07564	5.2
241.17953	0.4
243.46104	0.2
252.97951	0.4
254.10280	0.3
271.02957	0.2
281.70975	0.2
319.17465	0.2
344.20084	0.2
381.11832	0.8
414.83328	0.3
477.92813	0.3
480.22565	0.3
524.12915	0.7
524.21796	1.3
524.34875	0.3
525.21753	0.3
545.65662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01891	0.9
55.05513	2.9
57.03436	9.0
58.53702	0.6
59.05008	1.8
60.04527	0.7
66.00651	0.6
67.05509	4.0
69.03433	30.9
69.07068	5.1
70.06621	0.6
70.85124	1.4
70.85464	0.8
71.04987	2.0
73.02918	0.8
75.04485	1.6
77.09558	0.6
79.05500	7.7
81.03431	2.0
81.07060	15.9
82.06596	0.8
83.05000	1.6
83.08608	4.1
85.02911	20.8
85.06547	95.4
87.04473	19.0
91.05463	4.1
93.07049	19.0
93.07639	1.4
94.06570	1.8
94.07394	0.7
95.04977	1.7
95.07357	2.2
95.08611	4.9
96.08131	4.5
97.02898	22.5
97.05905	1.4
97.06535	25.3
97.10187	0.8
99.04446	1.6
99.08100	2.3
105.07030	5.2
107.08601	10.8
108.08134	4.8
109.02871	1.1
109.06514	2.0
109.10169	3.6
110.09697	8.8
111.08091	1.9
115.03938	23.7
115.04755	1.3
117.07058	0.7
119.08596	5.0
119.85419	0.6
120.08130	5.2
121.06505	1.5
121.10149	39.5
123.08098	1.5
123.11731	0.9
125.09659	1.4
127.03931	2.7
127.07526	1.2
131.08583	1.4
131.87068	0.7
133.04968	20.2
133.10126	2.3
135.08038	0.9
135.11716	1.3
136.07584	1.8
137.05894	1.0
137.09625	1.3
137.13202	0.8
138.09148	12.1
139.11150	0.7
143.08559	0.8
145.04950	1.9
145.10104	1.2
147.04414	0.7
147.11700	2.8
148.07570	2.4
149.09627	1.0
149.13264	25.7
150.07632	3.9
150.13576	0.8
153.12730	0.8
159.11714	9.7
165.12762	3.0
166.08653	23.1
167.14322	7.9
169.04805	0.7
175.11263	0.6
177.11208	1.2
177.12761	21.5
177.16287	0.6
183.13803	0.7
195.13818	70.4
201.68204	0.6
211.08583	1.1
213.10504	1.9
213.14868	100.0
214.15070	1.1
225.10089	1.9
227.08249	1.0
237.10277	3.8
239.08180	1.1
241.09773	3.5
253.09726	3.0
255.11295	2.5
259.08047	0.9
265.09738	6.2
267.07941	0.9
267.11295	2.2
277.09369	1.0
279.07736	0.7
281.09204	3.8
283.10773	5.9
291.15900	1.0
293.09274	4.6
295.10632	4.6
299.10709	1.1
301.11877	2.0
309.16962	0.8
311.10251	3.0
321.08667	2.9
327.09872	3.5
339.09750	5.8
341.11423	0.8
350.06430	0.6
353.11334	0.8
359.12445	8.4
371.12506	5.9
374.29572	0.7
388.16647	0.9
406.17593	1.3
446.17108	3.0
448.18506	1.0
464.18314	8.2
465.18344	0.7
474.16553	1.3
492.17657	10.3
506.15744	2.2
524.20532	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	523.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39376	3.2
53.03935	8.7
55.05512	18.7
57.03425	13.3
57.07072	45.5
65.03944	3.8
65.56894	3.5
67.05504	100.0
67.12255	3.3
69.07062	20.6
69.35096	42.6
70.65092	4.6
71.04996	17.8
71.08633	32.9
79.05489	54.9
81.03415	45.8
81.07057	78.7
83.04975	5.3
83.08616	22.1
85.06536	9.9
85.10165	16.2
91.05479	37.1
93.07042	66.2
95.04971	19.8
95.08610	60.1
97.06533	8.2
97.10168	11.7
98.21445	6.6
99.08092	22.9
105.07019	30.3
107.08586	35.8
109.10160	34.6
111.08076	6.3
117.07021	9.0
119.08579	20.7
121.10149	51.5
123.08125	4.4
123.11727	8.6
125.09632	4.7
129.07011	7.3
131.08539	14.9
133.10114	12.9
135.11688	48.9
145.10123	11.0
147.11674	13.9
149.13235	19.3
157.10104	8.5
157.75192	4.0
159.11690	10.1
161.13335	6.9
162.16252	4.2
169.02428	3.9
173.13281	7.4
175.11224	8.0
179.14305	6.0
181.12271	5.9
185.13306	5.8
193.12279	24.9
195.13799	7.7
211.13344	5.7
221.15440	5.2
229.14267	6.0
241.19730	4.0
259.20557	10.4
267.15930	39.0
276.76331	3.8
277.21555	30.5
289.49841	3.8
295.22702	13.4
313.27411	37.4
327.11334	4.4
477.59283	4.3
505.39102	32.9
523.43030	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	524.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01878	0.5
55.05501	1.7
57.03422	0.9
57.07072	0.5
60.44200	0.5
61.02923	1.1
65.03928	2.1
65.39658	0.4
67.05495	1.4
69.03423	2.7
69.07063	1.2
69.97566	1.2
69.97966	1.1
71.04990	0.7
73.02911	1.0
81.03427	4.1
81.07062	2.2
82.02728	0.4
83.04994	0.8
83.08642	1.5
85.02911	7.8
85.06564	0.6
87.00832	2.5
90.69314	0.4
91.05483	100.0
92.05787	0.8
93.07025	1.0
95.05003	0.7
95.08603	2.1
97.02900	7.3
99.04466	1.4
100.11256	3.6
105.01875	2.2
105.07031	1.5
107.08641	0.7
109.02888	2.4
109.10120	1.1
117.01837	0.6
121.10131	1.2
123.11771	0.7
127.03909	6.4
129.01872	0.8
129.06976	0.6
137.05991	1.0
141.11491	0.5
145.05000	2.9
151.03908	16.9
156.13869	0.7
159.02924	1.8
161.05984	0.5
161.13368	0.8
163.03937	1.8
175.07509	0.7
181.04953	1.9
182.15446	1.2
189.02124	0.5
189.03879	0.6
189.05463	0.8
193.04997	2.3
197.34459	0.5
203.07089	1.2
209.16533	0.7
210.14937	2.0
211.06012	0.5
217.05014	2.0
231.05081	1.2
241.08554	2.4
259.06155	2.9
259.09720	9.0
277.06949	0.6
283.09686	1.7
363.07162	2.1
381.08191	1.6
399.09274	3.4
506.19101	0.6
523.90076	1.4
524.20593	0.8
524.41241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.3
55.05508	27.4
57.03435	16.9
57.07074	53.7
65.03929	6.3
67.05505	100.0
69.07070	36.2
69.46222	48.8
71.04983	10.5
71.08632	40.4
74.18653	5.1
77.71488	6.3
79.05482	51.1
81.03409	68.5
81.07054	99.1
83.04961	9.2
83.08599	30.8
85.06551	12.0
85.10165	23.0
91.05482	43.5
93.07042	95.9
93.18567	5.8
95.04957	27.6
95.08600	80.3
97.06516	10.9
97.10165	5.6
99.08096	21.0
105.07045	33.9
107.08603	33.2
109.10168	23.9
111.08093	12.9
117.06957	6.8
119.08577	24.5
121.10143	62.0
123.11725	7.3
129.07008	11.3
131.08577	23.1
133.10135	15.1
135.11682	57.0
145.10107	8.5
147.11688	12.2
149.09653	8.1
149.13219	10.8
157.10114	6.8
159.11702	11.0
161.13243	10.5
173.13179	5.9
175.11115	8.0
177.12660	6.3
191.14319	5.8
193.12248	31.8
211.13219	7.7
235.81822	5.8
239.23730	5.6
259.20636	12.1
267.15884	72.4
277.21613	32.1
295.22595	8.6
313.27402	77.5
374.69653	5.7
417.16666	6.7
442.67712	6.7
505.39145	46.4
523.38177	13.7
523.43494	30.5
525.69037	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
51.19626	0.4
53.03937	1.2
55.01864	1.1
55.05257	0.8
55.05512	9.8
57.03439	5.8
57.07077	30.3
59.04993	0.5
62.79954	0.4
63.27425	0.4
65.03928	0.8
67.05505	19.5
69.03432	1.7
69.07070	7.2
71.04993	2.9
71.08633	18.3
79.05491	10.7
81.03417	29.6
81.07059	23.6
83.04987	4.9
83.08618	17.1
85.02905	15.1
85.06553	1.6
85.10180	10.2
91.05479	13.1
93.07047	7.3
95.04970	10.4
95.08608	19.2
97.02885	1.5
97.06515	1.6
97.10172	5.8
99.11721	0.5
105.07035	10.0
107.04961	2.0
107.08599	3.0
109.06525	2.0
109.10162	7.8
111.04463	1.2
111.08079	4.4
113.06015	2.1
115.05445	0.8
117.07012	0.7
119.04970	0.5
119.08591	8.0
121.10146	5.2
123.08057	1.6
123.11698	3.7
125.09655	0.7
125.13238	0.7
129.06998	4.1
131.08571	4.4
133.06479	1.3
133.10120	3.5
135.08147	0.5
137.09596	0.7
137.13251	1.8
142.07819	1.4
145.10178	0.6
146.54071	0.5
147.08022	0.9
147.11682	6.5
149.09618	1.9
157.10123	6.2
165.12810	1.5
175.11172	6.4
193.12248	25.1
211.13300	36.2
227.33746	0.5
229.62526	0.5
239.23671	4.4
249.14798	0.6
267.15927	6.8
285.17084	0.7
313.27371	5.7
411.82614	0.4
505.39087	4.2
523.39954	100.0
524.40454	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
54.78122	1.4
55.05516	12.0
56.75944	1.7
57.03432	6.4
57.06827	2.1
57.07079	30.2
67.05508	22.8
69.03458	2.4
69.07073	10.5
71.04996	2.1
71.08635	20.8
71.20260	3.8
72.84435	1.5
79.05497	13.2
81.03419	33.3
81.06596	2.0
81.07059	25.3
83.04974	7.4
83.08618	19.9
85.02911	13.8
85.10192	11.6
91.05483	20.4
93.07040	9.3
95.04973	12.8
95.08612	23.0
97.02913	1.6
97.10177	4.8
99.08099	1.9
105.07031	11.4
107.04935	1.6
107.08607	4.0
109.06519	2.2
109.10168	8.5
111.08077	5.8
111.11773	1.5
119.08581	8.6
121.10143	6.6
123.08084	1.7
123.11716	5.5
129.07001	5.2
131.08580	5.2
132.28191	2.1
133.06451	1.5
133.10120	7.9
147.07994	2.2
147.11702	8.1
149.09627	2.9
157.10123	6.5
165.12874	1.7
165.16400	1.5
175.11215	7.2
193.12236	26.1
210.23628	1.7
211.13281	33.3
239.23799	6.2
267.15924	14.8
313.27457	11.4
393.06189	1.6
423.25296	2.1
505.38937	5.7
523.39984	100.0
524.40204	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.05509	11.0
55.08456	3.5
57.03438	16.6
57.03667	3.1
57.07077	38.5
64.84821	3.9
67.05515	28.6
69.07063	13.6
70.65339	4.4
70.65680	7.8
71.08635	23.4
72.43193	3.2
75.11547	3.0
77.48771	3.5
79.05481	13.3
79.93825	3.4
81.03421	84.7
81.07042	24.3
81.78748	2.8
83.04980	5.6
83.08613	29.7
85.10191	18.1
86.09718	9.6
91.05477	16.6
93.07042	9.6
95.04976	22.6
95.08617	24.0
95.50961	3.4
97.02894	3.3
97.10170	6.6
99.92248	4.0
100.51411	3.4
104.10743	23.9
105.07021	22.2
107.04958	5.2
109.10169	14.9
111.08086	5.8
119.08570	12.5
121.10139	6.0
123.11675	4.2
124.99998	5.7
129.07005	8.7
131.08597	7.4
135.11679	4.5
145.10118	4.2
147.11699	8.7
149.09608	7.1
157.10091	8.2
159.11763	3.2
175.11226	7.6
184.07358	21.1
185.67850	3.7
193.12250	46.1
211.13368	5.7
239.23705	8.2
249.14850	4.1
267.15921	95.8
313.27362	100.0
505.38895	65.1
516.69238	3.8
523.39886	24.7
524.36725	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	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
55.05510	12.3
57.03431	6.3
57.07079	28.4
58.30242	2.0
63.33286	2.1
67.05514	20.4
69.07069	10.6
71.08640	21.8
71.59203	2.2
79.05489	12.1
79.54404	2.2
81.03419	29.6
81.07063	25.8
83.04983	6.7
83.08643	15.7
83.64327	2.2
85.02917	11.7
85.10171	8.8
90.52880	2.0
91.05472	16.0
93.07059	8.8
95.04969	15.4
95.08610	25.8
97.06512	2.0
97.10188	3.9
101.49711	2.3
105.07041	12.3
107.08607	6.4
109.06567	2.4
109.10167	13.5
111.08109	4.0
119.08598	10.5
121.10150	6.3
123.11733	3.6
129.07069	2.9
131.08574	5.1
133.10176	5.9
137.09671	2.6
137.13188	3.0
145.10095	2.7
147.11691	8.1
149.09625	3.1
157.10149	5.3
159.61101	2.3
171.64513	2.2
175.11247	7.7
186.39465	1.9
193.12245	31.4
211.13300	37.9
239.23711	5.8
249.14943	2.1
267.16003	8.9
313.27515	10.3
505.38821	6.4
523.39990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	69.4
57.03433	12.6
57.07055	12.4
67.05504	99.4
69.07053	20.6
71.61256	9.4
79.05487	62.8
81.03395	11.4
81.07057	67.8
83.04957	9.9
83.08614	52.3
91.05472	28.6
93.07033	46.6
95.04970	10.9
95.08606	54.6
96.57996	6.8
97.10160	79.0
99.08220	6.7
105.07019	30.4
107.08594	53.3
109.10162	30.5
117.06998	9.0
119.08558	26.3
121.10111	16.8
123.11678	10.1
125.09618	79.2
131.08546	20.1
133.10167	19.3
135.08081	7.8
135.11687	20.7
143.10661	10.9
153.08971	11.1
159.11670	12.2
161.13257	9.7
172.95233	26.6
173.13277	8.6
177.51924	8.6
189.11238	44.5
190.96278	16.0
210.97699	9.7
227.12827	65.1
245.13852	100.0
261.22137	61.0
267.15805	11.8
313.27518	13.5
335.25806	82.1
487.33981	15.8
505.35089	27.2
523.22925	11.7
523.35736	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	523.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99230	6.3
53.03923	8.0
53.05868	5.6
55.05508	67.1
56.26564	5.3
57.03431	14.6
57.07069	27.7
67.05511	91.3
69.03421	15.0
69.07055	26.7
71.04967	5.8
71.08633	11.7
71.61289	7.6
79.05489	60.4
81.03410	37.8
81.06634	9.1
81.07057	90.0
83.04983	7.1
83.08614	58.5
85.06536	9.7
91.05477	29.3
93.07042	57.5
95.04962	12.5
95.08609	68.2
97.10178	78.0
103.15663	7.1
104.10744	11.2
105.07027	23.3
107.08592	69.6
107.75239	6.3
109.06529	6.1
109.10164	33.3
117.07015	7.5
119.08572	26.1
121.10148	40.1
123.11657	15.2
125.09645	62.9
131.08540	26.4
133.10109	17.3
135.08072	9.9
135.11674	27.1
137.13307	7.9
145.10098	15.3
147.11655	10.1
148.86008	6.5
149.13283	12.0
157.10109	9.5
159.11710	13.4
161.13235	9.7
163.14795	7.3
171.10191	9.1
172.95316	8.9
173.13287	8.5
184.07277	12.2
189.11230	54.8
193.12238	18.8
227.12747	88.8
243.21069	11.4
245.13800	97.9
261.22122	79.9
267.15967	46.8
313.27359	50.9
317.24698	19.4
335.25775	100.0
382.46762	6.4
487.34384	11.4
505.34235	38.0
509.75839	7.1
523.23596	9.9
523.36322	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76834	2.3
54.23768	2.2
55.05522	13.7
57.03471	2.4
57.07062	5.1
67.05510	24.0
67.68438	2.2
67.96266	2.4
69.03421	6.6
69.07072	31.3
69.56583	21.3
71.04988	6.3
71.08636	4.2
73.02890	2.9
79.05495	22.4
81.03414	5.2
81.06579	5.1
81.07060	100.0
83.04975	2.9
83.08636	13.3
85.02911	20.9
85.06537	9.3
87.67608	2.8
91.05478	11.2
93.07053	52.7
95.04977	6.9
95.08613	75.6
97.02885	8.2
97.06541	6.0
97.10153	7.5
99.04497	3.5
99.08092	2.8
105.07042	28.7
107.08602	36.7
109.02883	2.8
109.06513	7.3
109.10155	47.8
111.04395	3.2
111.08099	9.7
111.11682	6.2
113.29977	2.6
115.03941	2.5
117.07044	3.7
119.08595	20.6
121.10156	34.8
123.11721	34.0
125.09621	14.9
126.86613	2.5
127.03922	7.0
131.08600	6.0
133.10136	20.0
135.11711	27.7
137.09633	6.6
137.13268	20.8
139.03845	2.4
139.11177	8.3
145.04973	4.7
145.10117	6.1
147.08130	2.9
147.11694	12.5
149.13257	15.1
151.11171	13.8
151.14851	2.5
153.12749	5.4
155.10695	3.8
159.11717	13.5
161.09659	2.7
161.13254	6.5
163.11241	6.1
163.14796	7.4
167.14371	3.1
173.13251	5.6
175.14827	3.6
177.16370	5.7
181.12251	6.7
187.14836	4.7
189.16371	4.5
203.17992	5.6
207.10243	2.8
215.17987	14.9
221.19205	3.4
223.39471	2.7
225.11287	5.0
233.19002	14.3
244.71133	2.5
251.20042	26.0
271.24103	12.8
277.25183	6.4
289.25247	22.5
295.26297	3.5
307.26337	41.3
325.27258	14.8
343.28256	5.1
455.97342	3.0
456.03381	2.5
523.21875	4.2
523.29132	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	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02727	2.9
55.05512	10.5
59.98159	2.9
67.05511	17.6
67.50478	2.8
69.03429	12.9
69.07072	37.5
70.62000	10.0
71.04999	17.5
73.17723	2.8
79.05494	23.1
79.05878	4.1
81.03397	5.5
81.07059	100.0
82.07389	14.8
83.04985	9.8
83.08611	10.4
84.38306	3.3
85.02931	16.0
85.06546	8.4
86.10649	3.3
87.00835	6.3
91.05467	17.0
93.07052	45.0
94.07384	7.7
95.04966	11.6
95.08614	51.9
96.08923	6.4
97.02896	8.6
97.06529	6.0
97.10176	6.8
99.08097	7.3
105.01863	13.4
105.07032	45.1
106.07359	10.9
107.08593	54.6
107.65762	2.8
108.08926	12.5
109.02835	4.6
109.06494	4.6
109.10161	45.1
110.10497	11.7
111.08100	4.8
111.11724	4.9
113.06020	6.1
116.57668	3.1
119.08588	52.9
120.08129	3.6
120.08918	20.2
121.10140	24.1
123.08131	4.3
123.11709	41.8
124.12025	4.7
125.09593	5.2
127.03912	7.2
127.11221	17.6
128.11588	6.3
131.08597	3.8
133.10136	27.2
134.06013	3.0
134.10490	10.7
135.11693	63.9
136.12021	37.6
137.05994	9.9
137.13268	10.9
139.11172	10.5
143.10715	6.4
145.04863	3.7
145.10121	4.9
147.04442	8.4
147.08093	3.4
147.11723	23.3
148.12036	12.2
149.13257	16.9
150.13541	3.1
151.11217	6.8
153.12733	10.0
153.58643	2.9
157.12253	3.4
159.11732	6.4
161.13272	10.7
162.13589	5.5
164.06929	4.2
165.12750	7.4
166.08630	4.6
169.12268	5.4
175.14787	4.1
177.16362	3.9
181.12228	6.9
187.64471	3.3
189.16359	5.0
189.78255	3.1
191.17967	4.3
203.17944	23.3
204.18295	31.7
221.19034	28.0
222.19420	26.6
267.14154	10.7
271.24313	6.4
277.25327	7.3
289.25269	26.8
295.26376	6.0
307.26318	40.3
325.27356	5.7
523.21204	8.1
523.28674	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	523.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
53.15609	3.0
55.01888	3.0
55.05506	18.8
57.03426	2.7
57.07071	8.0
61.02912	2.7
67.05502	32.3
69.03441	6.4
69.07070	36.1
69.43481	2.9
71.04997	15.0
71.08624	4.3
73.02916	3.0
76.55067	2.9
79.05499	18.0
81.03422	5.2
81.07057	100.0
83.04983	5.5
83.08623	16.4
85.02908	8.7
85.06547	6.7
91.05501	12.6
93.07043	58.1
95.04971	4.6
95.08608	98.2
97.02875	7.7
97.06547	4.9
97.10173	9.6
98.97581	4.0
99.08116	8.9
105.07043	24.0
107.08593	54.6
109.02900	3.5
109.06542	3.9
109.10156	66.4
111.08086	5.8
111.11725	7.7
116.98650	3.5
119.08585	24.7
121.10150	42.6
123.11718	38.6
125.09636	22.9
127.03918	8.8
127.11211	13.3
131.08575	10.1
133.10100	23.5
135.11707	30.2
137.13260	19.2
139.11172	3.8
145.10155	11.0
147.04347	2.9
147.11707	18.8
149.13254	50.9
151.14861	6.2
153.12769	6.8
159.11711	10.4
161.09615	3.1
161.13260	11.1
163.14813	10.2
165.09125	2.7
167.14322	3.9
173.13232	6.1
175.14833	14.5
177.05453	3.7
177.16388	9.4
178.16685	3.1
186.02306	4.9
187.14835	10.3
189.16345	8.0
191.17996	5.2
203.17914	10.1
215.17946	10.4
219.01680	4.0
224.71107	2.8
225.11272	5.2
233.18968	4.0
237.02864	8.5
237.99965	3.2
245.22778	8.6
251.20027	4.2
259.24191	3.3
263.23798	9.2
265.25342	9.0
267.14182	9.5
271.24286	13.3
277.25333	26.9
289.25253	40.5
295.26242	15.7
307.26309	62.0
325.27432	11.2
383.10294	4.0
411.75150	3.7
425.11221	6.6
442.21585	3.4
473.19223	2.9
523.16840	14.3
523.28723	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	523.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.7
57.07072	2.2
62.40083	0.9
67.05511	2.1
69.07069	1.3
69.83535	4.8
69.83945	2.2
70.14308	0.9
81.07056	2.1
84.94904	1.0
91.05466	3.5
93.07076	1.0
95.05045	0.9
95.08621	3.7
105.07029	4.4
107.08591	1.9
109.10156	2.4
114.79244	1.1
117.07016	1.0
119.08586	8.4
121.10159	1.4
123.04168	6.5
131.08588	2.0
133.10147	3.2
145.10170	2.9
147.11632	1.4
157.10150	1.4
159.11725	3.4
171.11752	1.0
173.13292	1.3
187.14862	1.2
193.12111	1.3
195.25874	0.9
199.41228	1.0
201.16464	3.1
211.13339	1.2
301.21729	1.7
323.19791	15.6
423.25052	100.0
424.25522	1.5
523.30341	91.3
523.38934	4.4
524.30402	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.9
67.05508	2.6
69.07059	2.0
69.69107	8.3
74.62170	1.1
79.05474	1.9
81.07048	3.4
83.04973	2.0
91.05497	3.1
93.07049	3.4
95.04984	1.9
95.08592	6.0
98.20746	2.1
105.07059	5.7
107.08608	1.8
109.10188	1.4
117.07030	1.2
119.08592	9.5
123.04201	9.1
131.08569	2.3
133.10123	6.7
143.91980	1.4
145.10129	3.1
147.11658	2.9
157.10144	2.6
159.11717	3.2
171.11703	1.4
173.13300	2.8
185.13353	2.4
187.14798	1.6
189.16371	1.4
201.16396	3.0
301.21762	1.5
323.19858	13.3
423.25095	85.3
448.84192	1.5
523.30371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.1
57.07082	5.8
65.77370	3.2
69.07081	5.1
71.08661	4.0
71.60806	5.6
79.05470	3.5
81.07055	7.1
83.08647	3.1
85.10236	3.0
91.05502	5.5
93.07098	4.4
95.04996	4.6
95.08627	9.2
97.50037	2.7
105.07049	7.9
107.08602	5.1
109.10162	3.9
111.04485	3.3
119.07877	2.9
119.08579	16.4
121.10136	6.2
131.08539	2.9
133.10185	8.2
147.11755	4.8
157.10190	3.3
159.11761	4.3
159.55595	2.6
174.88214	2.7
175.02928	3.2
176.64114	2.7
193.12317	4.3
201.16241	3.8
211.13281	5.1
211.62279	2.8
299.20132	8.6
321.18301	4.2
421.23398	27.0
423.25070	15.6
523.30365	100.0
523.39496	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.9
57.07051	2.8
67.05493	4.8
69.07072	2.9
71.08620	3.6
79.05489	3.3
81.03403	2.8
81.07065	7.2
83.05002	3.3
83.08610	2.0
88.51199	1.6
91.05488	5.9
93.07045	2.3
95.04983	1.9
95.08607	8.5
97.20708	1.6
98.20712	3.9
105.07034	8.2
107.08607	3.0
109.10146	2.5
119.08589	12.3
121.10143	2.4
123.04199	6.6
126.01279	1.6
131.08560	2.9
133.10121	7.6
145.10091	3.3
147.11743	4.7
157.10165	3.3
159.11722	5.0
161.13248	3.5
171.11752	2.8
175.11252	2.2
181.91023	1.7
185.13177	1.9
187.14885	2.8
189.16431	1.7
193.12421	2.4
197.13280	1.5
201.16504	2.5
202.22711	1.5
211.13344	3.4
231.55373	1.4
267.16122	1.4
301.21533	3.7
302.26526	1.4
318.57092	1.5
321.18341	1.6
323.19800	14.9
421.23566	6.5
423.19229	3.0
423.25070	76.6
523.30365	100.0
523.39362	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	523.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01860	1.5
55.05502	1.8
56.15347	0.7
57.03431	1.5
57.07050	1.2
67.05511	6.5
69.03441	3.0
69.07063	1.8
71.04992	1.2
75.04467	1.5
77.03883	0.9
79.05487	6.0
81.03423	3.6
81.07059	6.2
83.04945	0.8
85.02905	4.2
86.09759	0.7
87.96568	0.5
89.03920	1.0
89.55942	0.6
91.04968	1.0
91.05485	11.3
93.07043	28.2
93.07634	1.5
95.04955	3.5
95.08611	4.0
97.02863	3.0
99.04467	0.7
103.05449	1.8
105.07027	9.3
107.04946	6.0
107.08610	4.1
109.02886	1.8
109.06519	1.4
109.10161	18.8
111.04474	0.7
111.08104	1.6
115.05408	1.2
117.03352	0.9
117.07039	1.3
119.04930	2.4
119.08571	7.4
120.05711	1.1
121.06500	8.2
121.10141	34.6
123.04426	1.2
123.08075	1.6
123.11730	1.7
125.09613	0.9
127.03927	3.3
129.06990	1.3
131.04904	1.6
131.08565	2.7
133.06474	2.3
133.10112	2.2
135.04408	2.0
135.08052	5.0
136.05212	1.4
137.05959	3.4
137.09613	2.1
138.06769	2.4
141.93721	0.6
143.08531	0.8
145.02855	2.3
145.04927	0.8
145.10098	1.9
147.04419	3.7
147.08066	1.1
149.09621	20.3
149.13213	0.7
151.07552	2.6
161.05966	3.2
163.03915	10.5
163.07561	6.2
164.04295	1.2
165.09053	0.8
166.06229	2.2
167.07045	10.8
167.10661	6.8
174.06841	1.1
175.07567	1.3
177.05359	1.6
177.09096	1.9
179.03386	0.6
179.07034	6.6
181.08594	100.0
189.09091	1.5
191.07108	0.7
193.08511	1.7
195.10112	4.6
201.09193	1.6
203.07065	1.1
205.08614	0.7
207.10143	5.1
209.11678	1.4
213.11195	9.9
219.10179	5.7
223.09663	1.6
225.11224	7.5
239.82449	0.7
257.11777	0.8
277.25345	0.8
289.05310	1.1
293.13773	1.2
299.14890	1.1
303.12030	1.5
307.26096	0.9
311.15021	2.3
321.13477	1.4
328.13370	0.7
339.69257	0.7
501.31015	0.8
523.21039	4.9
523.28650	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	523.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01860	1.5
55.05502	1.8
56.15347	0.7
57.03431	1.5
57.07050	1.2
67.05511	6.5
69.03441	3.0
69.07063	1.8
71.04992	1.2
75.04467	1.5
77.03883	0.9
79.05487	6.0
81.03423	3.6
81.07059	6.2
83.04945	0.8
85.02905	4.2
86.09759	0.7
87.96568	0.5
89.03920	1.0
89.55942	0.6
91.04968	1.0
91.05485	11.3
93.07043	28.2
93.07634	1.5
95.04955	3.5
95.08611	4.0
97.02863	3.0
99.04467	0.7
103.05449	1.8
105.07027	9.3
107.04946	6.0
107.08610	4.1
109.02886	1.8
109.06519	1.4
109.10161	18.8
111.04474	0.7
111.08104	1.6
115.05408	1.2
117.03352	0.9
117.07039	1.3
119.04930	2.4
119.08571	7.4
120.05711	1.1
121.06500	8.2
121.10141	34.6
123.04426	1.2
123.08075	1.6
123.11730	1.7
125.09613	0.9
127.03927	3.3
129.06990	1.3
131.04904	1.6
131.08565	2.7
133.06474	2.3
133.10112	2.2
135.04408	2.0
135.08052	5.0
136.05212	1.4
137.05959	3.4
137.09613	2.1
138.06769	2.4
141.93721	0.6
143.08531	0.8
145.02855	2.3
145.04927	0.8
145.10098	1.9
147.04419	3.7
147.08066	1.1
149.09621	20.3
149.13213	0.7
151.07552	2.6
161.05966	3.2
163.03915	10.5
163.07561	6.2
164.04295	1.2
165.09053	0.8
166.06229	2.2
167.07045	10.8
167.10661	6.8
174.06841	1.1
175.07567	1.3
177.05359	1.6
177.09096	1.9
179.03386	0.6
179.07034	6.6
181.08594	100.0
189.09091	1.5
191.07108	0.7
193.08511	1.7
195.10112	4.6
201.09193	1.6
203.07065	1.1
205.08614	0.7
207.10143	5.1
209.11678	1.4
213.11195	9.9
219.10179	5.7
223.09663	1.6
225.11224	7.5
239.82449	0.7
257.11777	0.8
277.25345	0.8
289.05310	1.1
293.13773	1.2
299.14890	1.1
303.12030	1.5
307.26096	0.9
311.15021	2.3
321.13477	1.4
328.13370	0.7
339.69257	0.7
501.31015	0.8
523.21039	4.9
523.28650	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	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05034	0.5
57.07067	0.1
58.06633	0.5
58.14865	0.1
59.07397	0.1
60.08164	6.2
67.05492	0.2
69.07065	0.4
70.06594	0.1
70.84680	0.2
71.07373	2.5
73.71656	0.1
79.05492	0.1
81.07066	0.2
81.54041	0.1
83.08630	0.2
86.09705	29.4
87.10027	0.2
87.46874	0.1
88.94792	0.1
93.07047	0.2
95.08626	0.2
97.10188	0.1
98.98465	2.6
104.10744	3.0
107.08620	0.1
121.10174	0.1
125.00002	20.8
143.01065	0.4
166.02629	0.1
184.07336	100.0
185.07693	0.4
221.01469	0.1
258.10977	0.1
294.83600	0.1
339.29034	0.2
428.87094	0.1
504.34479	1.0
522.35565	3.6
523.35773	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	522.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.05512	13.4
57.03435	2.9
57.07077	7.2
59.05016	1.7
61.02937	1.4
62.20345	1.4
65.03930	1.5
65.23770	1.4
67.05508	13.8
69.03423	6.0
69.07071	40.2
70.06343	1.4
70.06654	7.9
71.04989	4.0
71.08609	2.2
79.05502	12.5
81.03422	4.1
81.07063	43.1
83.04977	3.0
83.08632	20.1
85.02924	7.2
85.06550	4.5
87.00816	1.5
87.04458	2.8
91.05468	14.9
93.07052	100.0
95.04980	23.7
95.08609	48.5
96.08906	1.3
97.02884	4.4
97.06535	9.1
97.10159	4.7
99.08082	3.0
100.11251	7.9
101.11518	1.8
105.07046	13.7
107.08604	20.9
109.06500	4.9
109.09461	2.0
109.10170	25.3
111.08076	12.5
111.11710	4.2
117.07026	2.0
119.08582	12.3
121.06487	3.1
121.10153	28.6
123.08054	3.9
123.11707	16.4
125.09617	4.4
127.03923	2.3
128.98618	1.6
131.08553	3.4
133.10133	9.1
135.08150	1.5
135.11720	9.8
137.05928	1.9
137.13260	4.2
139.11160	5.2
145.10114	7.2
147.11687	7.4
149.09662	3.2
149.13275	13.1
151.11174	2.8
151.14865	1.5
159.11696	7.3
161.13277	7.9
163.03944	3.5
163.11108	2.0
163.14818	5.0
167.10654	1.8
167.14310	2.9
168.17508	6.0
169.17807	2.0
173.13263	2.7
175.14778	4.0
177.16408	3.2
179.17856	1.7
185.15305	6.8
187.14793	2.8
189.16414	2.1
191.17953	2.5
201.16371	2.8
203.17853	2.2
209.19051	3.5
215.17992	4.4
235.20811	1.5
261.25888	1.7
271.24225	14.2
277.25162	1.8
289.05280	5.1
289.25220	30.6
295.26288	14.0
307.26331	95.7
325.27390	49.1
395.34567	1.6
522.21698	3.3
522.40961	19.7
523.20032	3.9
523.28375	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.54687	0.4
55.05502	1.7
56.05016	1.2
57.03429	0.5
57.07071	0.5
58.06339	0.4
58.06609	1.3
59.64163	0.5
60.08162	15.1
61.19160	0.4
67.05490	1.3
69.07055	1.4
70.84985	0.7
70.85319	0.8
71.07373	5.9
79.05492	0.7
81.07065	1.2
83.08622	1.7
86.09703	49.3
93.07072	0.5
95.08605	1.2
98.98461	3.9
104.10740	100.0
105.11083	1.2
108.54891	0.5
109.10120	0.7
121.10155	0.5
124.99998	25.5
127.07706	0.4
131.93033	0.4
155.51189	0.5
163.01495	0.9
184.07336	98.7
185.07706	1.0
227.24098	0.4
258.10977	1.1
339.29016	1.5
504.34518	8.1
514.76532	0.5
522.35541	40.4
523.36023	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.3
56.05039	0.4
57.03428	0.3
58.06644	0.5
59.07417	0.2
60.08168	6.2
66.67876	0.1
67.05508	0.3
69.07063	0.5
71.07381	2.8
71.21809	0.4
81.07059	0.6
83.08625	0.3
86.09710	28.9
93.07034	0.2
95.08614	0.4
97.10165	0.3
98.98474	2.7
104.10750	2.5
107.08569	0.2
109.10172	0.2
121.10146	0.2
125.00013	19.3
126.05085	0.1
136.73201	0.2
143.01051	0.4
145.84875	0.2
150.34395	0.2
151.09015	0.2
166.02750	0.2
172.95285	0.2
184.07352	100.0
185.07715	0.4
232.69044	0.2
339.28802	0.2
400.73813	0.2
504.34357	1.2
522.35535	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	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.0
57.03440	2.4
57.07068	0.5
59.04996	1.0
67.05501	1.7
69.03080	0.7
69.03432	12.2
69.07072	6.1
69.70587	3.0
79.05466	1.0
81.03416	0.7
81.07057	2.4
83.08615	1.5
85.02905	8.9
86.09702	0.6
87.04472	8.0
87.91432	0.5
91.05477	3.4
91.07088	0.5
93.07046	1.9
95.08615	4.9
97.02898	9.1
99.04453	0.6
105.07040	5.4
107.08592	3.2
109.10130	2.6
115.03163	0.8
115.03934	12.1
119.08585	31.5
121.10136	1.9
123.08152	0.5
127.03912	1.3
130.27921	0.5
131.08569	1.0
133.04973	11.0
133.10135	27.2
134.10574	0.5
135.11681	1.9
137.09607	0.9
145.04965	1.5
145.10123	1.6
147.11687	4.4
149.13254	0.7
150.07632	1.9
160.12498	0.5
161.13226	0.6
163.06105	0.5
164.07054	0.5
173.13286	1.4
175.14832	100.0
176.15181	1.3
193.15915	6.9
195.27512	0.5
231.52994	0.5
241.07091	0.7
259.08072	1.1
307.18951	0.9
368.55490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80677	2.4
53.03936	4.0
55.01855	3.7
55.05500	6.4
65.03898	2.2
67.05492	9.2
69.03414	6.3
69.07060	12.4
69.84045	1.8
71.04999	12.6
71.11064	2.4
71.11381	4.2
72.67860	2.1
73.02888	1.9
79.05489	8.8
79.82536	2.1
81.03420	7.0
81.06581	3.8
81.07057	68.1
83.08604	3.6
85.02896	12.3
85.06534	2.3
86.09699	2.9
87.00826	4.1
91.04965	2.2
91.05460	14.0
93.07043	26.4
94.07421	2.9
95.08607	26.5
97.02876	6.1
97.10147	3.5
98.97568	3.9
99.08060	3.4
105.01855	7.7
105.07029	48.2
107.08603	28.6
109.02888	4.2
109.10162	39.8
116.10458	2.2
117.07005	3.8
119.08582	100.0
120.08106	2.7
120.08884	2.6
121.10123	7.8
123.08062	2.9
123.11705	14.4
127.03917	8.2
127.11189	46.6
133.06534	2.6
133.10120	18.9
135.11685	38.0
137.05997	6.4
137.13229	3.3
145.04965	3.0
145.10153	2.6
147.11716	20.0
149.13220	6.9
152.06122	2.3
161.13258	7.4
163.03923	14.1
163.07559	3.2
163.14845	4.4
167.07048	3.7
167.10722	2.3
175.14835	2.8
203.17966	56.2
221.15569	3.5
221.19008	82.0
231.05043	3.0
237.02876	5.3
239.16451	4.9
239.20003	2.7
257.17624	2.9
284.09848	3.9
289.05402	9.0
360.37201	2.4
391.02802	2.4
396.49622	2.1
479.19424	2.3
522.28674	2.8
523.21027	19.0
523.28693	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	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52515	2.3
53.03944	2.6
55.05509	6.5
57.07072	2.8
62.83583	2.3
65.09019	2.1
67.05506	8.2
69.03432	8.1
69.07089	11.7
69.38990	4.4
69.39394	20.2
71.05001	15.0
79.05495	19.5
81.06586	4.4
81.07063	83.0
82.07364	2.8
83.08624	2.3
85.02921	15.6
85.06525	2.5
85.72743	2.4
87.00824	8.4
91.05479	10.3
93.07057	26.2
95.04972	4.9
95.08614	25.5
97.02878	4.9
97.06542	3.0
99.08103	4.5
105.01874	16.5
105.07032	39.8
107.08599	42.1
109.02892	3.6
109.10161	35.8
111.16234	2.5
119.08589	75.0
121.10149	13.0
123.07961	2.4
123.11717	17.9
127.03942	8.7
127.11197	27.5
133.10147	31.8
135.11702	100.0
135.12721	5.2
137.06009	3.8
137.13258	4.0
143.10672	9.4
145.04977	5.0
145.10101	3.5
147.11676	20.3
149.13324	6.3
153.12735	10.1
159.11732	4.2
161.13269	13.2
163.14853	4.0
175.14848	2.8
199.14928	2.7
203.17966	67.6
218.87131	2.1
221.19025	56.0
249.06071	5.3
259.87656	2.4
330.74789	2.2
337.96158	2.8
346.98074	2.5
381.70837	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	522.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15478	0.3
53.03935	0.6
55.05517	10.5
57.03189	0.6
57.03443	6.8
57.07063	1.5
59.90902	0.3
60.04524	0.8
60.08155	1.6
65.03925	1.2
67.05508	25.2
68.05829	0.3
69.03468	0.4
69.07072	15.8
70.02969	0.4
71.05012	0.5
71.07372	0.5
71.08605	0.8
79.05079	0.3
79.05500	6.8
81.07063	25.1
83.04964	0.8
83.08153	0.4
83.08624	7.1
85.06543	0.8
86.09708	6.7
87.10044	1.6
88.03993	6.9
91.05482	4.1
93.07043	6.9
95.04966	0.5
95.08610	18.9
96.04526	0.4
97.06516	1.8
97.10167	3.6
98.73595	0.3
98.98475	4.9
99.08070	0.5
104.10699	0.6
105.07037	3.2
106.05021	1.1
107.08604	4.0
109.06504	0.4
109.09457	0.5
109.10164	6.8
111.08082	0.9
111.11707	0.9
119.08607	3.0
119.09413	0.5
121.10143	3.3
123.11714	3.1
125.00010	4.5
125.09635	0.6
126.00346	0.7
127.00442	0.9
133.10155	2.4
135.11713	1.9
137.09564	0.5
137.13248	1.3
147.11699	1.6
149.13284	0.9
155.01047	0.9
157.84218	0.4
161.13203	1.0
163.14795	0.5
173.02136	0.7
175.14818	1.0
182.70752	0.4
184.07358	16.0
185.07715	6.5
186.07776	3.8
244.90900	0.4
245.22710	1.1
262.80893	0.4
263.23679	1.9
274.56668	0.3
280.76099	0.3
304.26218	0.4
337.27380	100.0
338.27829	1.9
338.31244	0.3
350.26962	1.9
522.34198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01875	0.6
55.05266	0.7
55.05513	9.5
56.89845	0.4
57.03440	6.7
57.07080	2.2
60.04513	0.7
60.08163	3.8
61.08490	0.6
65.03934	1.3
67.05505	23.8
68.05840	0.5
69.07068	14.6
70.74903	1.1
70.75314	0.8
71.05005	1.1
71.07381	2.3
79.05489	6.4
81.07059	21.8
83.04981	1.3
83.08620	6.0
85.06541	0.7
86.09708	17.6
87.09498	0.9
87.10039	5.1
88.03994	5.0
91.05479	4.3
93.07047	7.0
95.04969	0.9
95.08606	17.1
97.06512	1.0
97.10168	4.1
98.98476	5.5
99.08102	0.6
104.10742	2.2
105.07051	3.0
105.11074	0.5
106.05026	1.1
107.08614	3.8
109.06503	0.4
109.10149	6.6
110.67709	0.4
111.08059	0.9
111.11721	0.7
117.21908	0.4
119.08588	2.8
121.10136	2.5
123.11723	3.5
124.93762	0.5
125.00011	11.8
126.00359	1.9
127.00436	2.3
133.10178	2.4
135.11650	1.4
137.13246	0.7
140.79955	0.5
147.11668	1.6
149.13293	0.9
155.00963	0.4
161.13232	1.1
173.02122	1.1
175.14850	0.8
184.07347	46.5
185.07718	16.1
186.07796	13.1
209.54973	0.5
213.95451	0.5
245.22726	0.9
260.05396	0.6
263.23740	1.6
296.96561	0.5
337.27371	100.0
338.27698	2.5
350.26932	1.7
357.32986	0.4
437.22839	0.9
504.33652	1.1
519.45197	0.5
522.34613	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01856	0.4
55.05274	0.6
55.05511	9.7
57.03436	6.7
57.07056	1.6
59.24306	0.4
60.04501	0.7
60.71148	0.4
61.87031	0.3
65.03934	0.7
67.05504	22.4
68.21046	0.4
69.03409	0.4
69.07063	13.1
71.04985	0.6
71.08622	0.4
71.59486	0.6
79.05490	6.2
81.07053	22.9
83.04990	0.6
83.08151	0.4
83.08615	6.5
85.06541	0.7
85.10167	0.3
88.03985	6.1
91.05464	4.3
93.06474	0.4
93.07050	6.2
95.04937	0.8
95.08603	16.8
97.06519	1.2
97.10152	3.3
98.98461	4.2
99.08061	0.6
105.07030	2.8
106.05014	1.4
107.08598	3.5
109.06530	0.3
109.10163	6.1
111.08064	0.7
111.11705	1.1
119.08565	2.9
121.10159	2.5
123.11715	2.1
131.08604	0.4
133.10114	2.4
135.11696	1.7
137.13234	0.9
139.11136	0.4
145.10118	0.4
147.11679	1.4
149.13217	1.0
155.01006	0.9
161.13229	1.2
163.14847	0.6
173.02101	1.3
175.14813	0.6
177.16502	0.5
193.15746	0.4
194.19392	0.4
245.22664	0.7
260.05289	0.6
263.23727	1.5
337.27353	100.0
338.27533	2.1
350.26697	1.7
515.30090	0.5
522.24634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
53.37409	3.5
55.01864	3.7
55.05501	24.7
57.07075	7.1
57.62126	3.8
63.03035	3.3
65.03920	5.6
67.05502	83.5
69.07071	34.6
71.01753	3.8
71.04991	4.1
71.59880	6.4
79.05492	37.4
81.07059	97.6
83.08626	28.6
85.06541	5.1
91.05470	26.0
93.07046	46.6
95.04993	5.2
95.08606	100.0
96.92732	4.4
97.06544	11.2
97.10154	17.5
105.07025	21.8
107.08575	30.7
107.81968	3.9
109.10154	40.9
111.08089	9.1
117.06982	5.3
117.35430	3.9
119.08573	16.4
121.06516	5.3
121.10138	40.0
123.08064	8.4
123.11722	18.3
125.09579	5.3
131.08601	11.3
133.10132	27.5
135.08084	6.3
135.11684	29.6
137.09599	9.5
137.13271	5.3
145.10104	12.2
147.11676	13.0
149.13249	11.2
151.11215	12.0
159.11725	11.5
161.13255	7.0
173.13261	5.3
187.14862	4.2
192.76918	4.5
208.58453	3.9
215.17918	27.6
217.19551	8.5
233.18999	22.9
235.20595	8.8
251.20064	41.7
467.39056	10.5
485.39948	26.2
503.40869	5.0
521.38330	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	522.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01876	1.3
55.05509	4.7
58.99590	16.1
61.01134	1.3
67.05512	9.5
67.23617	0.8
69.03428	2.1
69.07066	8.6
70.06595	1.3
71.05007	4.3
71.59290	1.2
72.08120	1.0
73.01151	1.5
73.70824	0.7
76.02232	12.9
76.03998	3.7
78.54348	0.8
79.05503	6.1
81.03411	3.0
81.07059	25.4
82.03769	0.7
83.04979	2.0
83.06101	2.0
83.08625	5.3
84.04507	8.3
85.01144	1.0
85.02887	2.3
85.06553	4.4
86.09713	1.0
86.99058	11.7
87.02701	1.8
88.02217	5.0
90.83463	0.8
91.05486	9.5
93.07052	7.8
95.04960	1.2
95.08613	30.5
97.01163	0.8
97.02873	4.5
97.06537	7.0
97.10169	2.2
98.03269	0.7
98.52852	1.0
99.04435	1.1
99.05575	2.0
99.08098	2.9
103.05482	1.1
105.07041	7.5
107.08594	5.3
109.02908	4.2
109.06541	1.0
109.10176	3.8
110.03194	1.0
111.02652	2.0
111.08074	2.5
113.04192	1.2
113.09666	0.8
115.07597	0.8
116.01682	55.5
117.07045	1.1
119.04955	9.7
119.08576	12.5
120.05267	3.9
121.10141	4.6
123.08074	1.9
127.03923	28.4
128.04260	8.6
129.06570	3.9
130.05002	5.1
133.10138	9.2
135.11682	6.4
137.05963	1.4
137.09599	1.4
137.13254	6.0
142.03224	7.1
144.01155	31.8
145.04985	1.2
145.06097	1.4
147.04414	42.6
148.04755	21.0
159.11711	1.2
161.13268	24.0
162.02211	100.0
163.04007	1.5
165.05446	2.1
166.05812	1.1
170.02702	1.8
179.04854	1.8
179.14320	18.9
187.05261	0.8
196.16942	0.8
197.15367	18.0
211.34039	0.8
215.16441	8.1
229.12656	1.2
233.05783	0.8
237.13148	1.8
245.05948	2.6
255.14212	7.3
257.07584	0.7
268.89081	2.6
272.16803	3.2
273.15207	27.0
289.02863	2.5
290.17801	3.7
300.16254	1.9
301.14590	0.8
340.15909	3.4
358.16809	8.4
359.73807	0.8
376.17896	21.8
377.08084	1.0
387.00607	1.8
393.20566	45.4
395.09763	1.4
396.10120	7.3
447.21622	11.3
450.54608	0.9
475.69922	0.9
504.23801	2.6
522.24951	16.2
523.12292	3.3
535.07825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	24.8
57.03428	13.1
57.07063	18.3
67.05494	18.4
69.07074	32.3
71.08624	10.5
71.61487	8.6
79.05479	16.7
81.03419	63.6
81.07050	17.7
83.04980	9.1
83.08640	36.2
85.10172	6.8
91.05472	12.8
93.07027	16.2
95.04950	18.4
95.08600	12.0
97.06541	7.6
97.10156	14.6
105.07006	14.6
107.04974	6.5
107.08584	7.2
109.06496	5.0
109.10147	9.4
109.95612	4.4
111.08080	8.3
111.11736	5.6
112.57938	3.8
119.08566	11.2
121.10164	11.2
123.11667	5.8
129.07039	5.7
131.08472	4.1
135.11702	5.0
145.10130	4.4
147.11668	6.9
157.10150	9.4
163.11183	8.1
175.11206	8.5
187.66379	3.9
193.12233	31.1
227.12762	16.1
258.90265	4.7
267.15921	100.0
300.72229	4.1
311.25803	59.4
352.73816	4.2
503.37332	26.3
521.38306	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
55.05509	11.6
57.07079	27.6
57.16859	1.7
57.62436	1.9
65.03934	1.5
67.05505	18.9
69.07068	8.0
71.05003	2.3
71.08637	20.7
71.58791	2.2
79.05500	20.0
81.03412	2.6
81.07059	28.8
83.04960	2.8
83.08636	13.9
84.91403	1.4
85.10190	11.2
87.33605	1.6
91.05505	6.7
93.07050	29.8
95.04970	5.7
95.08608	40.5
97.02890	4.8
97.06566	2.3
97.10160	3.9
99.04449	1.8
99.70049	1.6
105.07043	6.3
107.04977	7.7
107.08605	22.9
109.10159	9.8
117.07016	7.0
119.08581	7.3
121.06507	4.5
121.10135	11.2
123.11710	3.3
125.05965	1.6
133.10135	2.3
135.11710	38.2
145.10126	26.0
163.11188	43.4
181.12271	9.8
227.12791	100.0
239.23773	2.7
461.76944	1.7
464.44333	1.6
521.38385	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01871	5.8
55.05271	1.2
55.05512	16.6
56.34951	1.0
57.03429	2.1
57.06830	1.3
57.07078	23.0
65.03926	1.5
66.38293	0.9
67.05507	15.9
67.39346	0.8
69.07075	10.1
71.04980	2.8
71.08282	1.3
71.08636	15.9
71.60797	1.6
79.05488	13.4
81.03417	8.2
81.07056	21.2
83.01328	3.9
83.04980	7.3
83.08622	15.1
85.02893	5.1
85.06516	1.0
85.10181	10.6
87.98548	0.9
91.05489	13.6
93.07041	14.0
95.04967	5.9
95.08607	21.8
95.13052	0.9
97.02880	1.8
97.06524	2.3
97.10175	8.3
105.07018	8.5
107.04957	4.1
107.08601	8.0
109.06519	3.5
109.10156	8.4
111.04481	1.2
111.08080	2.7
111.11737	1.1
117.07019	4.9
119.08575	6.5
121.06487	1.3
121.10144	6.6
123.08074	4.3
123.11726	4.5
129.06995	2.1
131.08546	2.1
133.10138	3.0
135.11694	6.9
137.13261	1.8
143.08597	1.1
145.10121	8.4
147.08086	1.5
147.11705	2.8
153.12695	1.1
155.08539	1.2
156.06158	0.9
157.10136	1.6
163.11177	14.4
165.16669	1.0
173.09683	2.5
181.12271	3.2
191.10735	2.2
193.12291	4.8
203.18190	1.2
209.11737	4.0
211.13280	2.7
221.22719	1.1
227.12714	7.1
237.22096	2.6
239.23666	6.9
353.05133	1.0
421.23514	3.8
512.04358	1.0
521.29712	3.9
521.38391	100.0
522.38348	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11407	2.8
55.05517	12.8
57.03445	5.1
57.07079	5.5
67.05505	22.0
69.03429	6.2
69.07076	19.8
69.75193	16.8
71.04992	16.5
79.05492	14.4
81.03422	3.3
81.07060	100.0
83.08603	5.2
85.02907	7.1
85.06532	6.8
91.05470	14.3
93.07045	73.6
93.07628	3.8
94.07383	3.4
95.04976	71.3
95.08608	77.4
97.02894	4.1
97.06533	6.4
98.21494	3.6
99.04430	2.9
103.05508	3.1
105.01853	3.0
105.07033	29.2
106.07374	2.9
107.08596	29.1
109.06507	7.2
109.10171	24.9
111.08075	12.6
111.11703	3.7
115.07611	2.8
115.57868	2.5
119.08591	19.6
120.08935	2.7
121.06486	6.7
121.10151	26.0
123.08035	4.4
123.11708	38.8
125.09622	3.7
127.03943	5.8
127.11181	7.7
131.04900	4.2
131.08574	7.9
133.10120	14.0
135.08035	3.7
135.11694	8.3
137.06013	6.6
137.09605	2.9
137.13269	57.1
139.11162	2.6
141.12715	6.2
143.08517	3.9
145.10173	15.1
147.04486	4.0
147.11694	26.4
148.11859	3.7
149.09619	3.2
149.13240	9.0
151.11200	3.1
153.12767	3.5
155.63603	2.9
157.10126	11.0
159.11673	25.4
161.05948	4.5
161.13283	12.6
162.13504	3.1
163.03911	18.0
163.07550	3.2
165.12767	17.8
167.06984	3.1
167.10692	4.4
171.11739	4.2
173.13257	10.9
175.14879	3.6
183.13832	7.2
185.13290	3.9
187.14803	2.4
189.12694	3.1
189.16454	2.6
191.17845	2.6
199.14844	8.2
201.14838	7.9
201.16409	10.0
203.17995	3.9
207.17557	2.9
213.16422	9.6
215.17894	4.0
218.12628	4.4
219.17438	3.9
237.18626	3.7
269.22678	11.5
275.23428	3.0
277.25311	5.4
287.23682	54.0
293.24835	14.7
305.24771	63.2
309.17004	6.1
310.17328	15.6
311.26074	4.1
323.25778	25.2
386.25351	2.7
486.20425	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	521.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42942	0.9
53.03944	2.5
53.50669	0.9
55.01867	1.8
55.05510	6.2
57.03439	2.6
57.07077	2.7
59.05009	1.4
65.03924	1.4
67.05515	14.4
69.03428	6.7
69.07069	13.8
69.43177	10.5
70.88087	0.9
71.01351	1.0
71.04996	5.3
73.02966	1.1
79.05502	9.9
81.03413	6.3
81.07063	40.6
82.07402	2.0
83.04994	3.1
83.08630	4.8
85.02905	8.0
85.06551	4.0
87.00838	1.1
89.03907	5.0
91.05479	10.7
93.07051	34.3
93.07630	2.1
94.07383	2.1
95.04975	9.1
95.08615	29.8
97.02892	5.3
97.06527	7.4
97.10179	2.6
98.21567	2.1
99.04486	3.3
99.08093	1.3
99.76276	1.1
103.05484	1.8
105.01865	2.3
105.07037	16.4
106.07394	1.4
107.04972	2.8
107.08603	18.0
109.02886	3.9
109.06528	3.7
109.10154	14.8
111.04440	1.1
111.08091	4.0
111.11732	1.7
117.03352	6.1
119.04989	1.6
119.08591	14.4
120.08918	1.7
121.06517	5.4
121.10147	18.5
122.06828	2.2
123.08141	1.8
123.11725	11.4
125.09620	2.8
127.03941	6.1
127.07550	1.4
127.11217	1.3
128.04295	1.1
129.07021	1.3
131.04985	1.6
131.08578	5.4
133.06526	1.5
133.10147	9.9
135.04414	12.8
135.08063	1.3
135.11717	8.1
136.12051	1.3
137.05986	4.5
137.09613	2.9
137.13310	3.6
139.07536	2.3
139.11197	1.8
143.08556	2.2
145.02863	9.9
145.10133	6.7
147.04451	1.9
147.11705	8.0
149.13251	5.1
151.07555	1.5
151.11200	2.6
153.12770	1.5
157.10161	3.1
158.10616	1.1
159.11726	4.9
161.09618	1.2
161.13243	9.6
162.13617	2.3
163.03915	100.0
163.11160	2.0
163.14922	1.4
164.04280	2.9
164.18828	1.0
165.12798	1.5
167.07002	1.5
167.10683	2.2
170.08862	1.3
171.11732	1.5
173.05907	1.5
173.13234	2.6
175.14854	2.5
176.11604	1.3
177.12738	1.1
179.14291	4.7
181.04997	1.7
181.12160	1.8
183.13785	1.5
185.13327	1.7
187.14815	1.3
189.12755	2.9
189.16399	2.6
190.13123	2.3
195.10141	1.5
199.14832	1.4
201.16455	2.9
202.16763	2.8
203.17976	1.9
208.14075	1.4
217.12282	2.9
218.12656	3.6
219.17497	2.2
220.17831	3.2
235.13354	2.1
236.13663	1.4
249.18668	1.2
269.22626	2.4
275.23782	1.7
277.25241	1.4
287.23749	11.0
293.24857	4.0
305.24734	18.1
309.16989	4.9
310.17337	12.0
323.18658	1.4
323.25775	12.5
521.20123	1.5
521.27759	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
55.05506	7.2
55.58149	1.8
55.58402	1.8
57.07069	7.3
58.28667	1.7
67.05498	9.4
69.07075	5.2
70.64542	6.4
71.08638	4.4
79.05494	6.8
81.03422	3.0
81.07051	7.7
83.04981	3.0
83.08615	5.0
85.10183	2.2
91.05496	5.9
93.07049	7.6
95.08598	10.2
97.10175	2.4
98.21334	2.1
105.07027	5.1
107.08611	3.9
109.10164	5.5
110.87698	2.0
119.08579	10.3
121.10181	1.8
131.08574	4.1
133.10143	5.4
135.11694	4.8
143.08571	2.0
143.64293	1.8
145.10172	5.9
147.11690	2.9
159.11707	4.5
163.11165	5.9
163.68161	2.0
201.16388	2.5
209.11734	3.2
227.12822	7.1
299.20111	7.0
321.18259	8.6
362.20908	3.3
378.66415	2.3
421.23514	93.0
521.28638	100.0
521.38141	30.0
522.29193	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	521.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91213	0.8
55.05502	3.2
57.07079	5.7
59.97818	0.8
65.03930	0.9
67.05512	7.2
67.39882	0.8
69.07067	3.1
71.08628	3.0
71.58200	1.3
79.05495	4.4
81.03426	1.2
81.07060	8.1
83.04980	3.0
83.08609	3.6
85.10178	2.6
91.05478	3.8
93.07039	7.5
95.04951	1.5
95.08610	11.5
97.10194	1.2
105.07013	4.9
107.04929	1.6
107.08603	6.3
109.10159	3.5
111.04426	2.0
117.07047	2.5
117.18176	0.8
119.08566	9.8
121.06538	1.1
121.10172	3.6
123.11723	1.8
131.08586	1.8
133.10112	5.3
135.11714	6.5
145.10141	6.0
147.11691	1.5
157.10138	1.3
159.11662	1.7
161.13321	1.3
163.11166	10.2
169.10117	1.4
173.13283	1.4
181.12282	3.0
183.11806	0.9
189.16388	1.0
195.00302	1.7
203.10692	1.0
205.08134	0.8
209.11681	2.1
227.12801	23.7
227.14944	1.7
239.17934	1.3
253.19579	1.9
255.21069	1.1
263.00027	0.8
281.19165	0.9
299.20114	9.5
321.18219	7.6
362.21078	0.9
377.24637	1.1
421.23523	69.9
422.23752	3.1
462.26019	1.2
472.59677	0.9
521.28632	100.0
521.38141	25.7
522.28723	2.4
535.71008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.6
57.07071	2.8
61.92623	2.1
67.05502	5.9
67.54617	2.3
69.07076	5.1
71.08626	3.7
71.59745	2.7
71.60111	3.3
79.05476	5.2
81.07056	8.5
83.04974	4.9
83.08626	4.2
85.10141	2.4
91.05476	5.4
93.07038	6.4
95.08629	13.3
95.09142	2.7
96.99704	2.1
105.07030	6.2
107.08588	5.4
109.10145	3.6
109.63659	2.1
111.04436	3.0
119.08595	14.9
121.10153	3.4
131.08574	5.2
133.10143	9.7
135.11655	3.5
145.10121	4.5
147.11708	5.1
157.10149	2.7
159.11726	3.1
161.13278	2.5
171.11723	4.2
183.11678	2.6
184.07329	4.1
189.16579	2.4
197.13167	2.8
199.14893	2.5
227.12939	2.5
235.35190	2.1
253.16109	2.4
253.19571	2.6
281.19073	3.5
299.19916	14.5
321.18286	12.9
362.20767	2.5
391.49976	2.6
393.59167	2.5
421.23480	92.2
521.28717	100.0
521.37994	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	521.2599
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
50.27666	2.1
53.03951	2.5
55.01872	4.5
55.05506	17.3
57.03439	22.1
57.07082	4.8
57.81749	2.0
59.04999	5.5
67.05501	17.1
69.03433	59.6
69.07066	12.4
70.06578	3.5
71.04985	5.3
71.59439	4.7
75.04457	2.2
79.05497	9.1
81.03421	4.3
81.07064	29.5
82.69913	2.0
83.04987	30.0
83.08618	11.8
85.02909	47.6
85.06528	8.8
87.04469	34.4
87.61812	2.4
91.05475	8.8
93.07047	23.7
95.04960	8.2
95.08612	22.0
97.02895	45.3
97.06540	11.9
97.10146	3.7
99.04428	2.7
99.08095	13.7
103.05463	2.4
105.01907	2.5
105.07039	15.6
107.04986	2.6
107.08591	29.5
109.02870	5.1
109.06511	6.1
109.10156	50.3
111.04481	2.9
111.08064	7.7
113.06049	2.6
115.03945	39.7
115.07545	3.4
117.07005	3.6
119.08575	15.0
121.10149	28.8
123.08072	3.5
123.11694	17.8
125.09647	15.4
127.03899	7.7
127.11166	3.7
131.04958	4.8
131.08577	6.9
133.04970	31.7
133.10136	17.4
135.08087	3.5
135.11696	11.3
137.05936	6.9
137.09636	5.5
139.11201	4.1
145.04977	2.8
145.10078	5.8
147.04329	2.5
147.11691	8.0
149.09622	7.4
149.13257	8.8
151.03883	2.6
151.11172	17.5
153.09149	5.6
153.12750	9.8
159.11760	6.7
160.99094	2.3
161.05978	6.7
161.13254	6.4
163.07593	2.5
167.07037	4.9
167.14349	22.0
169.12247	65.0
171.13768	3.3
173.13257	8.2
175.07654	2.9
175.14778	12.7
177.05507	3.9
177.09245	2.7
177.16319	3.5
189.09129	4.1
191.14304	14.0
201.16460	7.2
202.16673	3.4
207.10115	3.2
209.15381	100.0
209.17383	5.4
219.17520	4.3
220.17827	6.4
227.16428	69.1
287.23636	3.7
305.24762	9.4
323.25635	4.8
341.27008	3.2
460.48956	2.3
521.18982	9.7
521.27625	4.4
521.35199	4.2
536.14008	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	521.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01877	4.9
55.05513	6.0
57.03434	7.7
67.05511	11.8
69.03429	8.1
69.07074	10.6
69.72246	7.6
69.72653	3.1
71.04996	4.6
72.08156	2.6
72.50169	1.2
73.02927	3.8
75.44331	1.4
76.02245	1.6
79.05492	16.3
79.10928	1.3
81.03443	4.1
81.07058	29.0
82.07413	2.3
83.04977	8.8
83.08644	3.8
84.08151	5.6
85.02911	12.4
85.06550	6.7
86.09714	2.9
87.05608	1.4
91.05468	14.2
93.07050	37.8
93.86297	1.4
95.01353	4.1
95.04972	13.9
95.08616	17.6
96.08141	1.4
97.02895	5.1
97.06541	14.8
98.21410	2.2
99.04468	7.2
103.03952	1.6
103.05477	3.3
105.01898	1.8
105.07040	30.9
107.04994	4.2
107.08593	31.3
108.08921	1.4
109.02875	1.4
109.06522	14.4
109.10173	13.3
111.08110	7.9
113.02403	2.0
113.06079	1.7
115.05466	1.6
117.05503	7.0
117.07061	1.8
119.04942	3.3
119.08600	19.6
119.79218	1.4
121.06521	15.8
121.10148	12.4
123.08076	9.8
123.11715	9.4
125.06017	7.6
125.09598	1.6
127.03937	6.1
127.07546	7.1
129.05484	6.2
129.07028	3.5
131.08575	6.2
133.06447	2.4
133.10133	14.4
135.04378	1.3
135.08078	11.2
135.11734	3.1
137.05948	12.5
137.09639	4.1
137.13286	1.9
139.07536	10.6
141.01833	5.3
141.05460	1.5
142.07809	2.1
143.07013	6.2
143.08571	4.8
145.02885	3.6
145.04935	2.6
145.10132	9.3
147.04388	7.8
147.08055	3.2
147.11699	53.0
148.04866	1.7
148.36975	1.2
149.09633	1.7
149.13280	9.3
151.07533	1.6
151.11186	1.5
152.68594	1.2
153.09070	1.7
153.12555	1.3
155.07060	2.3
156.09337	1.7
157.08643	3.7
157.10147	7.2
157.53995	1.4
159.07921	2.0
159.11496	4.3
161.04552	2.8
161.06010	2.2
161.09697	3.1
161.13232	9.6
162.02252	1.8
163.03935	3.5
163.07571	3.0
163.11121	2.7
163.14914	2.2
165.12764	37.5
165.14140	2.1
167.07045	5.3
171.11673	10.4
173.08301	1.5
173.09677	2.8
173.13313	1.9
175.07587	1.4
175.11198	15.5
177.05522	4.9
179.14278	1.8
181.05035	1.8
182.97272	1.5
183.13802	3.1
189.04034	4.7
189.12756	15.7
191.14352	5.7
193.12242	20.6
195.08279	1.3
195.10161	1.5
199.11217	7.4
201.00775	1.8
202.16818	2.2
207.13779	8.8
209.11638	1.8
209.15431	6.3
211.13274	2.4
217.12213	17.1
229.14255	9.0
233.24991	1.4
235.13277	23.0
237.18539	3.7
247.41197	1.7
253.14378	31.4
271.15363	2.7
283.19174	5.3
301.10529	1.6
305.24832	1.9
309.17017	16.3
323.25821	2.3
327.18036	100.0
328.18347	2.5
335.14621	8.0
373.17862	2.4
374.18234	7.9
388.57129	1.5
415.74591	1.4
503.21332	13.8
521.24902	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03943	0.6
60.51412	0.4
64.50518	0.4
69.03434	0.7
71.15239	0.9
77.03909	0.5
77.35885	0.4
79.05516	0.4
81.46527	0.4
85.02906	0.8
91.05482	0.7
95.04971	1.3
97.02911	0.4
99.04419	0.4
103.05473	48.0
104.05811	0.6
105.07031	4.2
107.04967	0.5
115.05443	0.9
119.04932	0.9
127.03920	0.4
131.04932	100.0
132.05286	0.4
133.06488	3.0
137.05989	3.7
139.03932	0.4
147.04427	1.7
161.04642	0.4
161.05986	11.8
163.07549	34.2
175.07574	0.9
179.07097	1.0
183.24042	0.4
187.07584	1.4
291.10284	0.8
311.12808	1.0
521.20331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28920	0.3
51.02392	0.4
53.03949	0.6
53.97808	0.4
57.02845	0.4
57.03411	0.3
58.84129	0.3
63.82758	0.3
69.03424	0.8
70.79001	1.0
77.03900	0.4
78.66938	0.3
79.05490	0.4
81.03388	0.4
85.02905	1.4
86.06115	0.4
87.99474	0.3
91.05503	1.1
95.04970	1.3
97.02878	0.7
101.97917	0.3
103.05473	46.8
105.07038	1.8
107.04963	0.8
113.05981	0.3
115.05453	0.7
116.10773	0.5
119.04942	1.9
122.03663	0.5
127.03915	0.5
131.04933	100.0
132.05258	0.3
133.06496	1.4
137.05975	12.4
140.46169	0.4
145.44843	0.3
147.04442	1.9
151.03964	0.5
151.07529	0.8
161.05989	3.7
161.13078	0.3
163.07549	32.6
172.09735	0.5
175.07573	1.1
179.07039	1.8
187.07574	0.8
193.08612	0.6
197.08128	1.4
212.16447	0.4
213.09062	0.5
213.16821	0.4
225.09142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03929	0.7
57.03413	0.5
61.92191	0.5
69.03399	0.4
70.06584	1.9
71.04984	0.8
71.58851	0.7
77.03928	0.5
79.05502	1.0
81.07069	0.6
84.04514	0.8
84.08176	0.6
85.02898	2.6
86.09726	0.8
86.23673	0.4
91.05474	1.8
93.07058	0.5
95.04962	1.9
97.02887	1.1
98.20774	0.4
103.05466	50.3
105.07028	3.9
109.02831	0.4
109.10190	0.4
113.05984	1.4
115.05443	0.8
115.60201	0.4
116.98611	0.5
119.04951	1.1
120.08029	0.6
123.04436	4.3
126.14672	0.5
127.03908	1.5
131.04927	100.0
133.06525	3.7
137.05977	4.2
139.03935	1.0
145.04980	0.6
147.04419	1.6
151.03908	0.6
151.07547	1.8
155.03427	1.4
161.05997	9.4
163.07544	30.9
175.07565	1.4
177.05420	0.8
179.07056	5.5
187.07547	1.0
197.08087	28.1
203.06996	0.5
221.08105	0.9
239.09213	0.9
263.09198	0.8
275.09052	0.5
301.06195	0.5
311.12579	0.9
359.13477	0.8
501.48798	0.4
521.22357	5.7
532.30695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.5
55.01859	8.4
57.03448	8.5
57.38053	4.1
61.02940	5.2
67.05461	4.5
69.03407	8.1
69.93251	4.8
70.06573	15.1
70.47536	18.3
71.04998	35.9
72.08150	11.0
74.22050	4.1
79.05485	6.3
81.03411	13.7
81.07042	6.4
83.05016	4.8
85.02908	44.7
86.09705	26.9
91.05434	6.5
91.97778	4.9
93.07020	8.2
95.04961	9.9
95.69434	4.1
97.02866	15.6
98.21410	5.8
105.07042	8.0
107.04942	6.2
107.08543	7.3
109.02867	10.9
109.10094	5.6
116.98572	6.2
121.02851	9.1
121.06493	6.7
123.04427	7.7
127.03924	10.8
128.06212	5.2
129.07021	8.6
131.04980	8.3
131.08578	5.5
133.06409	7.0
135.04350	4.8
137.05962	8.4
143.08470	5.5
145.06494	7.7
147.04408	11.6
149.05962	4.7
151.03912	6.3
152.31345	4.5
157.06432	7.8
159.08025	6.3
161.02409	5.5
161.05905	10.8
163.03909	13.7
164.04219	4.5
166.07758	4.8
171.04366	8.3
171.08055	10.4
173.06009	5.9
175.03891	6.9
175.07475	8.4
177.05463	7.4
185.05974	6.3
185.09619	4.7
187.07532	12.8
189.05461	10.2
191.07013	11.6
195.08072	4.8
197.05951	5.0
199.07510	26.8
201.05434	14.3
201.09132	8.9
203.06985	32.6
209.06259	5.5
209.08122	17.0
211.07518	4.7
213.05508	7.6
213.09038	16.3
214.06302	5.2
215.07045	30.5
215.30502	5.4
217.08493	6.6
221.08064	33.1
222.06544	4.5
225.09000	5.7
227.07025	15.5
229.04953	9.4
229.08531	18.6
231.06438	12.8
233.08098	44.0
237.02730	4.8
239.07027	9.3
239.09152	8.9
241.04893	7.8
241.08537	20.5
245.08075	41.2
246.08315	4.3
247.05899	21.9
247.09703	6.2
249.07544	18.3
251.06999	5.5
251.09171	46.4
253.08543	12.7
255.06497	7.1
255.10207	7.5
257.08115	24.6
259.09683	12.7
263.09155	45.3
265.08679	6.0
267.06604	10.0
267.09998	6.4
269.08124	29.8
271.09641	5.8
273.11353	5.0
275.09119	80.9
281.07944	14.5
283.09515	7.7
285.07526	5.8
287.09143	100.0
289.10812	4.9
290.09290	4.5
295.09634	9.5
299.09186	42.7
301.07227	4.2
301.10672	18.6
303.04953	9.7
305.10199	63.9
307.09512	8.5
309.10782	5.6
311.09296	28.6
313.10492	9.6
315.08597	7.7
317.10159	81.7
323.09177	14.0
325.10858	7.6
329.10172	80.3
335.11594	41.0
341.10013	58.8
347.11411	31.4
353.12747	95.1
359.11078	4.6
365.12723	28.3
371.11240	50.7
383.12677	22.6
389.12161	46.7
395.11185	12.9
401.12314	35.5
407.13339	40.2
413.12296	16.9
419.13336	61.0
431.13257	31.3
431.18561	10.6
449.14297	48.0
467.15338	40.2
470.21753	5.1
485.16498	13.0
521.16101	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	521.1864
Annotation	Swertiapunimarin
Peak:m/z	Relative Intensity
55.11138	0.5
61.02919	0.8
68.99785	0.7
69.03420	1.5
71.04995	3.7
71.11100	1.2
71.11495	1.3
75.34496	0.5
75.93401	0.6
79.41014	0.6
80.72758	0.6
85.02908	8.8
88.97521	0.5
95.04945	2.0
97.02881	3.0
100.35896	0.6
101.64943	0.5
103.05441	0.9
109.02840	1.5
109.06485	0.7
113.05994	3.9
123.04430	13.1
127.03915	2.9
133.06497	0.9
137.05951	0.7
139.03911	3.8
145.04924	2.3
147.04396	1.8
147.07968	0.9
151.03897	0.8
151.07570	4.9
155.03398	4.8
155.07071	0.8
161.05969	1.1
175.07549	2.0
179.07036	18.9
191.07021	1.4
197.08089	100.0
198.08444	1.0
203.07042	2.0
209.08028	3.2
221.08144	3.5
239.09125	5.8
257.08167	1.2
263.09103	4.5
275.09064	2.0
287.09268	1.2
305.10168	1.9
323.11282	1.6
341.12222	1.8
359.13400	3.4
535.06158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1293
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03949	0.9
55.05515	0.3
57.03429	0.2
65.03960	0.6
67.01864	0.7
67.05528	0.4
69.03432	2.5
69.07082	0.5
70.94028	0.3
70.94366	0.7
71.04997	1.0
76.53120	0.3
76.88151	0.3
81.03426	4.5
81.07068	0.8
85.02909	1.9
87.00848	0.5
91.05482	7.3
93.07054	0.5
95.08626	0.6
96.08874	0.3
97.02892	4.5
97.06528	0.3
99.04476	1.1
105.00822	0.3
105.07020	0.5
109.02876	6.7
119.04947	21.4
119.08566	0.3
121.10112	0.5
127.03921	56.4
131.04884	0.3
137.05984	0.4
147.04413	100.0
148.04768	0.5
163.07524	0.4
165.05476	5.7
211.07568	0.3
213.03799	0.6
234.98947	0.4
255.06496	0.4
288.14099	0.6
291.08585	2.1
377.08530	1.0
395.09753	14.7
466.83972	0.3
542.07581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	18.3
57.07068	4.4
67.05496	17.0
69.07053	16.0
69.40430	3.9
71.61151	6.5
72.83414	3.7
79.05487	14.6
81.07046	21.0
83.04977	12.1
83.08607	14.6
84.08958	4.8
91.05479	18.1
93.07047	22.6
95.04941	8.2
95.08607	57.2
97.10152	5.7
105.07010	24.3
107.08577	29.3
109.06497	6.4
109.10144	19.8
109.33181	4.5
117.07047	5.2
119.08582	97.9
121.10152	13.1
123.11669	7.2
129.07027	4.8
131.08549	21.2
133.10129	48.4
135.11674	14.5
137.09869	4.0
143.08566	7.5
145.10120	38.5
146.24728	4.5
147.11703	27.0
149.13321	5.4
157.10083	24.2
159.11708	55.1
161.13266	16.4
163.11230	5.8
170.10982	5.0
171.11723	21.8
173.13258	31.0
175.14825	4.5
185.13280	18.8
186.00978	4.6
187.14882	27.2
189.16414	19.2
199.14792	17.0
201.16354	22.5
211.14801	4.3
213.16336	9.3
227.12721	5.8
231.13873	9.3
241.19420	21.9
245.15427	5.2
255.21159	40.1
265.19473	5.6
283.20654	22.3
301.21628	100.0
330.64703	4.8
520.36945	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	520.3399
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05501	1.4
56.05025	1.2
57.03432	0.5
58.06594	1.3
60.08165	16.7
62.35367	0.4
67.05499	3.5
69.07059	1.2
70.10970	0.9
70.11387	1.8
71.07381	7.1
79.05490	0.9
80.37251	0.4
81.07049	2.7
83.08666	0.5
83.67597	0.4
86.09707	51.1
93.07043	0.9
95.08607	2.1
98.98474	3.9
103.98154	0.4
104.10744	100.0
105.11124	0.7
109.10165	0.6
124.46737	0.4
125.00008	30.4
135.11687	0.5
143.00964	0.6
147.63232	0.5
163.01454	0.6
165.51219	0.5
184.07344	97.9
258.10968	1.0
337.27228	0.6
502.32935	8.8
520.34009	40.3
521.34131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70465	7.7
55.05522	17.2
57.07062	13.8
67.05489	16.4
69.07079	22.5
71.08625	16.0
71.38435	13.4
71.38783	17.5
77.56481	7.8
81.07045	26.7
83.04967	12.2
83.08599	20.2
86.09647	9.0
93.07037	24.9
93.18317	8.3
95.08612	69.0
97.10197	10.7
104.10696	8.9
105.07066	21.0
107.08574	16.5
109.10146	17.6
110.09871	10.6
119.08574	100.0
121.10148	26.3
124.99989	10.6
133.10135	42.6
135.11678	20.6
143.08458	8.4
145.10135	26.0
147.11659	21.3
156.57317	9.0
157.10112	11.7
159.11673	43.9
161.13219	26.3
163.11197	13.1
171.11667	19.2
173.13319	19.7
173.34357	8.9
184.07353	32.0
185.13255	28.3
187.14804	31.9
189.16414	19.5
199.14806	15.9
201.16377	20.5
213.16393	10.0
215.14336	9.4
224.05144	8.6
227.12791	11.8
241.19548	17.9
255.21199	42.7
283.20490	25.9
301.21698	74.1
520.40137	11.4
521.38226	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	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.05025	0.3
59.30352	0.2
60.08162	5.9
60.10604	0.2
67.05506	0.5
70.10242	0.4
70.10651	0.8
71.07370	3.1
78.01778	0.2
81.07050	0.5
86.09703	29.3
95.08624	0.3
98.98457	2.7
103.21613	0.2
104.10741	2.7
116.99461	0.2
125.00002	20.5
125.71397	0.2
133.79514	0.2
148.65082	0.2
149.68799	0.2
155.18781	0.2
184.07333	100.0
213.76907	0.2
258.11172	0.2
502.32977	1.1
520.33893	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	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49149	3.6
53.03941	4.4
55.01877	5.2
55.05513	34.4
57.03422	5.1
57.07064	4.3
61.02924	7.8
67.05503	22.9
69.03442	22.5
69.07073	27.5
71.05006	25.1
73.02937	4.7
79.05492	16.8
81.03412	14.7
81.07063	78.1
83.04992	8.1
83.08606	10.4
85.02914	55.3
85.06541	13.5
87.00834	19.6
91.05441	30.3
93.07033	66.8
95.04967	12.6
95.08611	69.4
97.02922	27.6
97.06512	13.7
97.10156	4.6
98.40685	4.3
99.04450	14.2
103.05389	5.0
105.01872	54.6
105.07033	68.6
107.08595	56.6
109.02876	16.2
109.06518	15.5
109.10159	35.0
111.08080	5.6
117.06994	6.8
119.08607	40.6
121.06489	4.6
121.10149	86.1
123.11703	25.1
125.09651	28.2
127.03925	36.9
127.07587	6.5
127.11172	8.1
131.04855	4.7
131.08589	19.4
133.10126	54.1
135.11705	28.2
137.05978	11.0
137.09601	9.1
137.13243	6.6
139.07434	4.4
139.11179	9.3
143.08571	5.8
143.10715	25.2
145.04950	16.5
145.10117	32.6
147.04333	7.2
147.11673	25.0
149.13264	25.1
151.11116	6.5
157.10138	6.8
159.02914	10.1
159.11681	26.6
161.13272	62.0
163.03912	4.6
163.11212	6.3
167.05615	6.2
167.14325	79.9
173.13274	12.1
175.14841	7.8
177.16354	4.5
189.12770	5.8
191.18007	7.9
201.16411	36.6
203.17889	6.4
217.12173	6.4
219.17438	100.0
226.17943	9.9
231.04977	15.4
237.18495	14.8
249.06061	14.1
254.19810	5.2
309.16779	8.2
358.13101	5.6
384.61145	4.0
449.21655	4.8
467.22525	5.4
505.12146	5.4
520.26318	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	520.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98442	0.5
53.03940	0.8
55.05273	0.4
55.05516	7.5
57.03437	6.3
57.07067	0.6
60.04510	0.9
65.03927	1.3
67.05506	26.5
69.07069	6.6
70.72568	1.6
77.45084	0.4
79.05493	14.7
81.07058	24.9
83.04994	0.6
83.08624	2.8
86.09721	0.7
88.03988	5.6
88.07652	0.7
91.05466	6.9
93.06470	1.1
93.07046	16.1
95.04980	1.9
95.08607	18.4
97.06543	1.0
97.10123	0.6
98.98476	5.0
105.07029	3.4
106.05029	0.8
107.08594	8.0
109.06499	0.6
109.10153	7.4
117.07001	1.4
119.08579	3.8
121.10158	5.0
123.08061	0.8
123.11710	2.0
124.93769	2.1
131.08609	2.3
131.23236	0.5
133.10129	2.1
135.11681	2.3
145.10121	1.6
147.11703	1.0
149.13228	1.3
155.01012	0.9
159.11710	0.8
161.13249	0.9
167.05545	0.6
167.97946	1.3
173.02124	1.0
173.13269	1.3
184.07433	1.3
185.98839	0.6
242.04207	0.7
242.70811	0.6
246.60266	0.5
261.22079	1.6
263.59210	0.5
300.06107	0.6
321.04675	0.5
335.25800	100.0
336.26221	2.4
348.25250	1.4
520.23895	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	520.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03940	0.6
55.01862	1.3
55.05508	1.9
57.03438	2.8
59.84767	0.3
67.05511	1.8
69.03427	1.1
69.07076	3.6
69.47067	1.4
69.47501	1.7
71.01344	0.6
71.04993	2.2
73.02916	1.4
73.06561	0.5
77.11938	0.3
79.05061	0.5
79.05496	6.3
81.07057	12.7
83.04983	1.4
85.02906	4.1
85.06538	2.7
91.05473	7.7
91.06012	0.6
93.07043	42.3
95.01334	3.2
95.04961	3.3
95.08601	1.8
97.02862	1.0
97.06532	10.3
99.04453	7.8
99.05087	0.5
101.06015	1.5
103.03932	0.8
103.05457	0.4
105.04550	0.4
105.07030	17.4
107.04945	1.0
107.08598	6.4
109.06516	7.5
109.10152	0.9
111.08070	0.7
113.02365	1.5
113.06010	1.0
115.03941	0.3
115.07568	2.0
117.07025	0.8
119.04926	0.8
119.08578	13.8
121.06505	21.9
121.10139	1.1
123.04444	0.5
123.08065	1.0
125.06009	0.7
127.07561	4.7
128.06235	0.6
129.05478	2.6
129.06973	2.0
131.03395	0.6
131.08569	2.6
133.06471	1.9
133.10132	8.1
135.04411	1.0
135.08049	2.4
135.11671	0.5
137.05925	1.6
137.48824	0.4
139.07536	26.6
141.01823	4.9
141.05438	0.8
142.07784	2.2
143.08588	4.1
145.06528	0.4
145.10104	5.8
147.08025	3.0
147.11687	20.4
151.07567	0.8
155.08531	0.8
156.08060	0.6
156.09348	2.4
157.10135	9.7
159.02931	0.6
159.08051	0.7
159.11688	0.8
160.08813	0.4
161.05946	0.6
161.09608	2.5
161.13264	8.2
166.07773	0.4
169.08646	0.6
171.10214	1.0
171.11673	12.8
173.09625	1.2
173.13234	1.1
175.07562	1.4
175.11192	12.9
181.10138	0.9
184.08862	0.5
189.11307	0.8
189.12740	24.0
191.14294	0.5
193.12265	1.5
195.10175	4.5
199.11191	7.7
207.13808	6.7
209.15370	0.4
215.05576	0.6
217.12239	27.7
218.12640	0.4
219.17458	0.5
235.13292	11.8
251.07745	0.4
253.14346	6.5
263.16385	0.6
291.15909	5.5
309.16962	100.0
310.17245	1.4
345.96729	0.4
370.91415	0.4
393.15250	0.4
406.90485	0.4
449.17999	0.7
452.95605	0.4
467.19046	0.9
485.20264	8.7
520.33136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03941	0.7
55.01861	1.8
55.05512	2.4
57.03442	2.7
57.07060	0.3
59.04983	0.4
65.03926	0.4
67.05495	2.0
69.03419	1.2
69.07072	3.2
69.26305	0.3
70.86940	0.7
70.87281	0.4
71.01349	0.5
71.04989	2.2
73.02905	1.4
75.04472	0.6
76.11500	0.3
77.03911	0.7
78.06464	0.3
79.05060	0.4
79.05494	6.9
81.06576	0.6
81.07059	12.6
82.28072	0.3
83.04988	1.5
85.02899	4.0
85.06541	2.5
87.04501	0.3
91.05472	7.4
93.07043	38.1
95.01329	2.6
95.04971	3.3
95.08613	2.1
97.02902	1.0
97.06530	9.2
99.04456	7.6
100.13148	0.3
101.06002	1.3
103.03912	0.7
103.05381	0.4
105.04526	0.4
105.07031	15.8
107.04992	0.8
107.08596	5.6
109.06517	7.2
109.10139	0.5
111.04425	0.4
111.08092	0.6
113.02357	1.2
113.06004	0.8
115.07558	1.4
117.05460	0.5
117.07005	0.8
119.04914	0.7
119.08583	10.2
121.06505	19.3
121.10145	1.1
122.07259	0.4
122.23972	0.4
123.04389	0.6
123.08075	1.2
125.05945	0.5
127.03910	0.6
127.07567	3.9
128.06221	0.4
129.05501	2.3
129.06973	1.8
130.07758	0.3
131.03423	0.7
131.08572	2.4
133.06522	1.4
133.10127	8.1
135.04414	0.7
135.08075	2.0
135.11696	0.4
137.06009	1.7
139.07538	22.0
140.07758	0.4
141.01811	4.8
141.05504	0.7
141.06931	0.4
142.07800	2.2
143.08568	3.9
145.06483	0.4
145.10135	5.9
147.08034	2.1
147.11688	18.3
155.08577	0.7
156.09338	2.0
157.08783	0.5
157.10124	8.4
159.08052	0.8
159.11679	0.9
161.05927	0.6
161.09625	2.5
161.13243	7.4
163.81183	0.3
165.09164	0.4
169.08595	0.6
171.10187	1.1
171.11659	10.1
173.09613	0.9
173.13237	1.2
175.07552	1.2
175.11188	12.0
181.10103	0.9
184.08812	0.4
187.06052	0.4
189.11261	0.9
189.12740	20.0
191.14175	0.7
193.12224	1.1
195.10211	4.2
199.11209	7.0
201.16393	0.7
207.13792	6.4
209.15331	0.6
215.05568	0.3
217.12256	28.1
235.13303	11.9
253.14389	6.3
291.15927	5.8
309.16965	100.0
310.17383	1.8
327.18060	0.5
397.30643	0.4
449.18030	0.5
467.18884	1.5
485.20227	9.3
520.32568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67040	0.7
67.69874	0.6
69.08667	0.6
69.49187	5.7
79.05450	0.7
89.03896	1.0
91.05799	1.8
93.07034	0.9
94.94063	0.6
97.15202	0.8
103.05467	5.3
107.04931	1.5
117.03373	0.8
120.08102	100.0
121.08443	1.0
131.04939	2.5
135.04381	2.3
136.06189	1.5
145.02802	1.5
149.05969	1.9
163.03906	24.1
166.08636	50.0
167.05547	0.9
189.32755	0.6
299.05951	1.1
300.06219	1.5
504.90396	0.7
545.42407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.7
56.96521	0.6
67.05462	1.8
69.03412	1.2
69.07018	2.0
69.54521	3.3
69.54951	1.5
79.05460	1.0
81.03386	1.1
81.07056	3.5
84.04463	0.6
85.02872	1.5
85.06509	1.0
86.09689	0.8
91.05434	3.2
91.35458	0.5
93.07041	3.0
95.04943	1.0
95.08588	2.8
97.02869	1.4
97.06521	0.8
98.20752	1.2
105.06989	2.4
107.08559	2.2
109.06496	0.8
109.10094	2.2
111.08041	1.5
119.04926	1.3
119.08529	2.5
120.01836	3.0
121.02856	0.5
121.06455	1.2
121.10105	1.7
122.03625	0.7
123.08043	1.2
123.11700	0.7
125.09509	0.7
127.03891	0.9
129.07013	0.6
131.04932	1.0
131.08583	1.2
132.85208	0.6
133.10089	2.0
135.11646	0.8
137.05019	0.8
137.05980	13.9
145.06406	0.8
145.10059	1.2
147.04396	1.5
147.11697	1.0
149.05995	1.0
151.07501	1.3
153.01790	2.6
157.10066	0.7
159.11697	1.2
161.05902	1.8
161.13213	0.7
163.03868	0.7
163.07593	0.6
165.08983	0.6
167.05560	1.0
167.06990	1.3
172.05046	0.5
173.13217	1.0
175.07503	1.7
177.05428	1.5
187.07539	1.9
187.14780	0.6
189.08949	3.0
201.16347	0.7
203.05286	30.6
217.08574	0.8
219.17429	0.9
259.09683	0.6
265.08591	0.9
271.06012	80.1
272.06302	4.8
275.10522	0.7
299.06079	1.3
303.10175	0.9
303.23248	1.5
307.09732	0.9
315.09827	0.7
321.11322	1.3
321.24026	0.8
327.12445	0.7
335.12762	0.9
339.12735	1.1
339.19308	14.0
344.97589	0.6
347.12845	1.1
357.20740	0.8
359.03400	0.6
365.13870	1.8
380.21725	0.9
430.14340	1.0
433.11188	1.0
448.15060	3.1
487.17651	1.2
501.18863	1.6
519.12207	2.3
519.25696	100.0
520.26257	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2564
Annotation	Asp Thr Gln Arg
Peak:m/z	Relative Intensity
51.73764	0.3
64.53167	0.3
67.05482	0.4
69.03387	0.3
69.50546	2.3
69.50957	0.6
71.04971	0.3
75.11246	0.3
79.05483	0.4
80.67123	0.3
81.07053	1.1
84.04513	0.4
86.09718	0.4
91.05440	0.7
93.07027	0.8
94.04220	0.4
98.20728	0.5
103.05478	0.6
105.07028	1.2
107.08636	0.7
109.10176	0.4
119.08585	1.4
120.01842	2.6
121.06534	0.4
127.03877	0.5
128.10817	0.4
133.10141	0.4
137.05977	3.9
147.08014	0.5
159.11719	0.5
161.05975	0.6
163.03946	0.9
167.07037	0.4
175.07518	0.5
177.56085	0.5
178.80521	0.4
189.08850	3.5
203.05266	34.8
217.08678	0.4
244.07846	0.7
271.06042	4.7
272.06348	0.4
297.11081	0.5
339.12885	0.6
339.19302	15.9
357.20410	0.6
365.13690	0.5
380.22058	0.9
448.15033	0.5
501.19244	0.4
519.25671	100.0
520.26227	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2569
Annotation	Asp Thr Gln Arg
Peak:m/z	Relative Intensity
53.03950	0.3
55.01871	0.7
55.05513	0.5
57.03437	1.1
61.02922	1.0
65.87395	0.2
67.05506	1.0
69.03435	2.3
69.07066	0.8
69.53563	2.2
71.05028	0.3
73.02927	4.1
79.05502	0.9
81.03432	0.9
81.06651	0.3
81.07051	1.5
84.04522	0.5
84.61229	0.2
85.02910	4.3
85.06597	0.4
87.04487	0.5
91.05454	0.7
93.07050	1.1
95.04968	0.3
95.08608	1.2
97.02896	3.4
97.06519	0.5
99.04461	0.5
105.07041	1.3
107.04967	0.5
107.08611	0.9
109.02879	0.9
109.06496	0.3
109.10167	0.6
111.04438	0.4
111.08104	0.3
113.06039	0.3
115.03947	1.6
119.08609	0.8
121.06554	0.4
121.10169	0.8
123.08078	0.4
123.11707	0.5
125.09653	0.3
127.03911	2.0
131.08594	0.4
133.04968	1.9
133.10147	0.9
135.08107	0.3
137.05969	1.6
144.58540	0.3
145.04950	1.6
145.10138	0.5
147.04385	0.3
147.11719	0.4
159.11649	0.5
161.05995	0.5
161.09712	0.3
161.13388	0.3
163.03897	0.3
163.06056	0.6
167.05647	0.6
167.06982	0.6
171.11690	0.3
187.07721	0.3
191.00340	0.7
201.03700	0.6
203.05255	0.4
209.01381	0.3
223.06027	0.6
266.99957	0.3
270.27896	0.3
299.06195	0.8
303.23203	0.4
314.02316	0.3
321.24048	0.5
338.01913	0.3
339.25186	0.3
341.21017	0.5
519.25690	100.0
520.25958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01872	0.4
55.05517	0.4
59.04998	1.6
61.02921	0.3
67.05509	0.9
69.03428	0.9
69.07067	1.0
70.98737	0.5
70.99054	0.5
73.02897	0.3
75.24165	0.3
75.46069	0.3
77.03930	0.7
77.57985	0.3
79.05483	1.1
81.03427	0.6
81.07068	3.1
85.02908	2.6
85.06526	0.4
86.09688	0.5
91.05430	1.8
93.07042	3.3
95.04955	1.8
95.08601	1.8
97.02892	0.6
97.06511	0.4
98.98516	0.6
103.05471	48.4
105.04469	0.3
105.07024	3.3
107.04942	0.6
107.08554	0.7
109.02892	0.6
109.06527	0.8
109.10170	1.6
111.08105	1.5
115.05490	0.6
119.04942	1.5
119.08568	0.9
121.10156	1.5
123.11703	0.6
127.03952	0.9
131.04933	100.0
132.05296	0.6
133.06483	2.8
133.10124	0.6
135.04427	9.3
137.05983	2.2
137.09634	0.6
137.13280	0.6
145.04962	0.5
145.10107	0.4
147.04433	2.3
147.11691	0.4
149.02359	0.4
149.05916	0.3
153.12706	0.8
161.06001	6.3
163.07552	31.8
167.05611	0.9
173.06042	0.3
175.07570	0.9
177.05473	2.2
177.12759	0.4
183.55412	0.3
187.03836	0.9
187.07471	0.6
205.15842	0.4
235.74303	0.3
277.08578	0.5
285.11115	0.6
291.60403	0.3
299.06119	1.1
303.23169	0.7
309.11093	0.5
321.11044	0.6
321.24124	0.8
335.02921	0.5
339.25125	0.7
390.45044	0.3
417.59894	0.3
501.18637	0.4
510.58594	0.4
519.24316	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	519.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01851	5.7
55.71113	2.5
57.03429	2.8
67.05512	2.4
69.03413	7.6
69.07069	3.0
70.75196	6.0
70.75564	3.5
79.05484	9.7
81.03411	5.0
81.07042	4.2
84.04479	3.9
85.02905	14.9
85.07654	6.5
91.05480	8.3
92.27048	2.4
93.07039	6.2
95.04931	3.2
97.02881	7.6
103.05466	5.8
105.07018	10.5
107.08598	3.1
109.02843	3.5
115.05456	5.8
119.04928	4.3
119.08562	5.9
120.56287	2.4
122.03632	7.9
127.03882	5.4
128.06258	3.4
129.06998	6.0
131.04910	10.5
133.06474	4.3
133.10176	3.1
135.04375	3.7
137.05977	100.0
143.04958	2.8
145.06519	3.7
149.06047	4.6
153.05508	3.9
157.06523	2.5
159.08026	3.3
161.05983	17.5
163.03932	3.1
163.07565	10.5
165.05486	9.0
172.05141	7.4
173.06001	3.0
175.07568	17.3
177.05499	7.4
185.06003	3.8
187.07529	18.0
189.07063	2.7
189.09042	3.0
191.07002	8.4
199.07571	6.0
203.07050	4.3
205.06618	3.9
217.08571	11.4
218.07259	6.8
219.08070	8.9
221.06058	3.3
229.06468	2.6
231.08180	4.5
234.06737	4.3
235.07494	7.5
236.08450	3.3
246.06845	5.6
247.07590	8.7
248.08449	3.9
249.09113	6.5
259.07550	4.3
261.09119	12.9
263.06985	4.5
263.10779	3.4
264.07831	8.3
265.08676	5.9
267.10211	6.2
274.06366	3.7
275.06955	4.5
276.07687	3.0
277.08627	11.6
278.09335	4.9
279.10175	8.0
285.11429	3.2
289.08551	19.2
290.09296	4.3
291.10110	7.8
293.11450	3.5
297.11301	6.5
299.06204	5.4
306.08765	4.7
307.09641	30.7
309.11209	12.3
315.12277	7.1
321.11206	44.0
323.12943	13.4
327.12277	29.8
335.12766	4.6
336.88480	2.6
339.12228	26.9
341.13998	5.1
357.13315	18.5
375.13947	2.5
459.17905	4.5
471.18130	4.7
489.18912	5.9
519.19684	5.3
519.25775	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	519.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01885	0.4
55.05501	0.6
56.98774	0.3
59.05003	2.3
61.02934	0.4
67.05508	1.2
69.03435	1.0
69.07068	0.9
70.20328	0.3
71.04997	0.6
71.59394	0.5
79.05496	1.3
81.03413	0.5
81.07066	4.3
85.02910	2.4
86.09713	0.4
91.05494	1.5
91.38918	0.3
93.07051	3.4
95.05006	2.2
95.08612	2.3
96.90041	0.3
97.02930	0.7
97.06535	0.5
97.38043	0.3
102.04620	0.3
103.05473	50.4
105.04527	0.3
105.07050	3.4
107.04951	0.5
107.08587	1.2
109.02892	0.5
109.06508	0.6
109.10148	1.7
111.08081	1.5
115.03925	0.4
115.05477	1.2
119.04980	1.6
119.08581	1.2
121.10156	1.6
123.11644	0.7
127.03908	1.0
131.04933	100.0
132.05254	1.0
133.06485	1.8
133.10161	0.7
135.04419	7.4
135.08034	0.4
135.11703	0.5
137.05984	3.1
137.09633	0.7
137.13199	0.4
145.10172	0.7
147.04448	2.3
147.11627	0.4
149.02325	0.5
149.06007	0.5
153.12733	0.6
157.10075	0.4
160.05208	0.4
161.05995	6.5
163.07550	29.9
167.05573	0.6
167.06961	0.4
175.07509	1.3
177.05513	1.8
179.07024	0.6
187.03857	1.0
187.07591	0.6
219.08214	0.6
232.53625	0.3
277.08612	0.5
285.11072	0.4
291.09845	0.7
299.06091	1.1
303.23117	0.8
309.11115	0.6
321.11227	0.7
321.24335	0.6
339.25226	0.5
344.97385	0.5
347.12683	0.4
357.18692	0.5
519.24475	8.0
519.31989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1498
Annotation	CHEBI:66280
Peak:m/z	Relative Intensity
53.03935	1.2
65.03934	0.5
67.01849	0.9
67.05511	0.4
69.03419	3.1
69.51438	0.4
69.51844	2.5
71.04978	0.8
79.05453	0.8
81.03406	5.0
81.07034	0.5
85.02908	2.9
87.00809	1.0
89.03912	5.6
91.05470	11.2
91.31605	0.3
95.04937	0.5
95.08579	0.5
97.02887	6.1
99.04446	1.3
105.01819	0.6
105.06998	0.6
107.04967	1.9
107.08589	0.6
109.02875	7.8
109.10121	0.4
115.05415	0.5
117.03371	5.8
127.03911	7.3
129.06984	0.3
131.08540	0.5
133.02840	0.7
134.21394	0.4
135.04410	17.7
136.32820	0.3
137.02336	3.1
137.05919	0.7
143.04889	0.7
145.02835	11.2
145.04712	0.4
159.08083	0.3
161.05911	0.6
163.03893	100.0
164.04305	0.6
166.73706	0.3
175.07513	0.3
181.04955	4.3
187.07535	0.4
203.06859	0.3
213.03903	0.8
271.05945	0.4
307.08118	2.0
315.20023	0.4
339.12207	0.9
339.35992	0.3
342.38260	0.4
393.07925	0.9
411.09207	14.4
415.19208	0.3
463.45300	0.4
498.75180	0.3
518.24402	0.7
519.18469	0.4
519.24738	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	519.1715
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
50.69742	0.3
53.03947	0.5
56.96574	0.4
57.03438	0.3
68.66719	0.3
69.03427	1.1
71.58943	0.4
74.59077	0.3
81.03417	2.1
85.02915	2.0
86.39891	0.3
89.03902	3.5
91.05829	2.6
97.02903	0.9
98.97599	0.8
99.04438	0.4
109.02892	1.0
111.04411	0.3
116.98618	0.6
117.03374	14.1
119.04943	0.8
127.03903	1.2
128.98647	0.4
134.03641	0.7
135.04420	1.2
137.27213	0.3
145.02846	46.9
146.03172	0.4
146.99588	0.3
147.04411	1.9
149.05986	5.2
163.03896	2.3
164.04251	0.4
167.05588	2.0
169.56743	0.3
177.05470	100.0
178.05807	1.4
179.03444	0.8
182.99692	1.2
186.05478	0.7
193.07042	0.4
195.06537	2.3
201.00717	4.5
219.01752	1.5
225.04195	0.3
228.07138	0.3
237.02826	2.1
255.03796	0.4
266.99857	0.5
283.03015	0.6
299.06232	3.6
321.09741	0.5
327.03796	0.3
333.19077	0.4
339.10751	12.4
344.97675	1.1
357.11874	2.2
415.03519	0.7
451.43250	0.4
459.07980	3.7
494.11368	0.3
514.75049	0.4
537.22217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25134	4.2
55.05507	15.4
58.03221	5.6
60.52414	4.4
62.59896	4.6
67.05506	13.1
69.07069	10.0
69.21150	4.3
71.60734	8.4
73.07983	5.0
78.48515	5.6
79.05470	5.4
81.07059	14.6
83.05001	7.7
91.05498	13.6
93.07040	11.8
95.04893	5.2
95.08614	38.7
105.07034	30.1
107.08595	21.7
109.06572	5.5
109.10155	13.2
111.04465	6.0
112.93381	5.5
117.07017	9.7
119.08577	100.0
121.10159	14.0
131.08595	18.4
132.96103	4.7
133.10147	40.4
133.14629	5.3
135.11714	8.7
142.07835	4.5
143.08545	11.4
145.10130	23.2
147.11671	25.8
155.08510	8.3
157.10138	13.5
159.11687	29.5
161.13263	13.8
171.11755	13.1
173.13351	24.4
175.11230	5.2
183.11711	6.6
185.13300	13.1
187.14857	11.7
189.16415	8.7
197.13203	8.7
199.14839	10.6
201.16393	15.0
241.19554	10.5
253.19455	6.1
255.21057	26.5
281.19220	6.9
283.20587	15.1
299.20071	56.2
301.21591	46.0
387.32269	7.4
450.53824	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	518.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	14.5
55.05737	3.7
57.07074	3.5
63.12197	2.5
63.64233	2.2
66.44060	2.5
67.05499	11.7
69.07056	8.5
71.58193	4.0
78.81167	2.1
79.05453	4.8
81.07042	16.9
83.04976	13.9
83.08607	6.2
91.05463	14.1
93.07036	17.0
95.04995	3.6
95.08605	65.1
97.07579	2.4
97.10138	5.8
105.07010	24.6
107.08586	23.0
109.10159	19.1
110.65515	2.3
111.08089	2.7
111.99484	2.3
117.06998	9.3
119.08577	95.7
121.10148	19.8
123.11680	5.1
131.08583	15.2
133.10129	51.4
135.11673	10.9
135.12622	2.3
143.08566	9.2
145.10133	30.1
147.11688	24.9
149.13263	4.9
154.10767	2.3
156.09279	3.0
157.10106	18.7
159.11688	51.7
161.13269	22.0
169.10164	2.4
170.10893	3.7
171.11678	21.7
173.13255	29.1
175.14886	3.4
179.10692	2.6
183.11632	3.1
184.07310	4.3
184.12405	2.9
185.13260	21.9
187.14777	31.8
187.16241	3.7
188.15576	3.5
189.16406	13.7
193.12206	3.4
195.11694	3.4
199.14821	18.8
201.16377	30.6
202.17113	3.6
209.13223	3.6
213.16318	8.8
227.14346	3.0
227.18018	3.3
231.13763	5.3
239.18204	2.9
241.19547	25.2
245.15450	4.5
255.21072	44.9
259.16913	5.1
265.19440	6.7
283.20599	25.5
301.21609	100.0
314.14532	2.7
522.56989	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.0
57.07078	3.4
58.68851	3.5
67.05487	12.0
69.07050	11.4
70.51122	8.2
79.05492	11.5
81.07059	16.0
83.04973	12.1
83.08616	4.6
91.05475	11.9
93.07056	11.2
95.04921	3.4
95.08607	53.0
97.87271	3.2
105.07035	24.7
107.08573	18.0
109.10147	14.9
117.07001	10.7
119.08579	90.5
121.10159	17.2
123.11681	4.4
131.08536	16.8
133.10124	47.8
135.11656	6.5
143.08582	5.4
145.10103	33.1
147.11699	21.6
157.10161	15.9
159.11700	48.4
160.12459	4.5
161.13252	19.9
170.10988	4.1
171.11696	18.4
173.13277	24.4
185.13261	19.1
187.14821	28.7
188.15562	5.4
189.16394	15.0
199.14833	12.1
201.16351	23.6
205.12218	4.7
213.16306	6.2
227.17934	5.4
233.87251	3.2
241.19540	25.4
245.15448	5.4
246.70377	3.8
249.45161	3.2
255.21112	47.0
265.19510	6.5
283.20645	23.0
299.19772	3.8
301.21634	100.0
458.08127	3.7
464.33600	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	518.348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82029	2.1
55.05510	8.1
55.33634	1.8
63.97575	1.6
67.05488	6.8
69.07069	3.7
69.37328	18.0
79.05486	2.5
79.23814	1.7
81.07059	9.0
83.04962	9.0
83.08598	2.0
89.55254	1.7
91.05495	7.3
93.07044	8.6
95.08604	23.4
98.21559	3.5
105.07020	18.8
107.08580	9.7
109.06538	1.4
109.10184	3.8
111.04417	9.2
117.07044	4.0
119.08577	48.8
121.10144	5.3
129.07045	2.3
131.08566	7.8
133.10127	31.0
135.08119	1.7
135.11737	2.2
139.07585	1.8
142.07828	1.7
143.08621	3.0
145.10100	13.5
147.11670	12.7
155.08578	3.8
156.09344	2.7
157.10121	6.3
159.11708	11.0
161.13222	9.3
169.10176	4.3
171.11696	7.9
173.13297	7.9
183.11717	9.1
185.13263	4.1
187.11140	2.0
187.14906	3.1
189.16444	5.3
191.10631	2.1
195.11639	2.8
197.13274	10.0
199.11230	2.2
199.14845	4.4
201.16376	4.2
205.12283	2.5
211.11278	2.3
211.14854	4.1
217.12236	2.9
219.07381	1.8
223.45628	1.9
225.12645	2.2
229.12198	3.2
234.86310	1.8
239.14149	2.6
239.17982	4.8
243.13852	3.5
253.19518	14.9
255.21143	3.7
257.15305	2.2
263.18091	3.2
281.18930	12.3
299.20053	100.0
300.20529	2.6
425.64392	2.0
518.38171	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
55.80151	0.4
56.05027	1.3
58.06595	0.9
60.08165	15.3
67.05490	1.9
69.07065	0.6
70.78665	1.4
71.07381	6.0
74.02029	0.4
74.95846	0.4
79.05498	1.5
81.07047	1.6
84.62687	0.6
86.09706	49.6
91.05487	0.8
93.07053	1.6
95.08614	0.9
98.98463	4.0
104.10744	100.0
107.08595	0.8
121.10156	0.5
125.00006	28.1
131.08495	0.6
163.01492	0.7
164.17519	0.5
184.07339	95.6
228.43089	0.4
258.11014	0.9
335.25812	0.9
500.31348	9.0
518.32428	32.4
519.32825	1.3
536.17041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27935	0.2
56.05038	0.5
58.06621	0.4
60.08170	6.0
60.08474	0.4
66.98963	0.2
67.05506	0.6
71.07376	2.6
71.18406	0.4
71.18746	0.3
72.21783	0.2
79.05467	0.3
81.07077	0.4
86.09715	29.5
93.07056	0.3
98.98471	2.7
104.10754	2.9
125.00016	21.3
134.82858	0.2
184.07358	100.0
185.07712	0.5
241.54846	0.2
500.31503	1.4
518.32513	3.0
519.33026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01860	1.0
55.05504	3.7
56.05028	2.9
57.03429	3.0
67.05504	7.0
69.03433	4.8
69.07072	2.7
70.06571	1.3
70.13132	3.8
71.04994	2.2
73.02911	1.9
79.05508	5.5
80.05002	0.9
81.03420	5.4
81.07065	9.1
83.04971	2.4
83.08639	2.5
84.04507	100.0
85.02903	18.0
85.03373	1.7
87.00821	0.9
91.05455	7.5
93.07052	15.0
95.04951	2.3
95.08611	13.3
96.04489	1.6
97.02882	6.9
97.06565	1.1
98.06073	1.1
99.04478	1.8
103.03958	3.5
103.05520	1.0
105.01891	0.9
105.07025	13.8
107.04942	1.5
107.08594	16.2
107.63525	0.9
108.04478	12.8
109.02898	4.6
109.06541	5.0
109.10153	19.2
110.06055	2.3
111.04447	4.9
111.08109	2.5
113.06046	1.0
117.07029	2.2
119.08582	21.5
121.06533	2.6
121.10131	6.8
122.06013	1.5
123.08076	4.1
123.11713	3.4
126.05515	45.1
127.03923	4.5
129.07071	1.1
129.09135	1.2
131.08559	2.7
133.06520	6.5
133.10135	20.0
133.11089	1.6
135.08055	5.7
135.11719	4.6
137.05957	1.7
137.09665	1.9
139.07607	1.0
140.07016	1.0
143.08586	3.0
145.05011	1.1
145.06456	1.3
145.10144	3.7
147.08023	8.7
147.11725	1.3
149.09605	2.1
150.05534	3.3
151.11197	1.4
155.08479	0.9
156.06601	1.6
157.10130	1.6
159.11749	3.1
161.09618	11.5
163.03874	4.3
163.11226	3.6
163.85265	1.2
164.04248	2.1
165.09126	10.5
168.06589	7.9
169.10115	1.0
171.08115	1.2
171.11720	3.0
173.13272	2.1
179.10666	9.1
185.09604	1.0
185.13255	1.3
186.07619	14.1
187.11188	1.3
189.09084	8.6
191.10600	1.2
199.11230	1.0
199.14841	1.1
204.08717	2.5
207.10179	11.5
225.11217	24.1
235.16917	1.8
249.11235	1.3
255.17384	1.7
267.12344	4.1
269.18924	1.4
287.20139	1.4
297.18518	3.4
303.23441	1.3
314.16061	3.4
315.19540	9.0
333.20517	1.8
375.21658	1.7
392.17188	3.0
410.18240	2.1
435.23810	1.4
440.24435	4.9
500.26385	11.9
506.80402	1.1
518.27545	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.05521	2.8
56.05037	2.8
57.03436	1.3
67.05511	8.0
69.03442	5.3
69.07053	2.1
70.65494	3.1
79.05481	3.4
80.05013	1.8
81.03416	4.5
81.07066	9.4
83.04974	1.9
83.08605	1.4
84.04507	94.1
85.02901	12.8
91.05492	8.0
93.07046	12.0
95.04990	2.1
95.08605	13.2
96.04485	1.7
97.02891	7.2
97.06518	2.1
98.06058	2.0
99.04472	1.6
103.03961	2.8
104.11423	1.0
105.07029	12.2
107.04936	1.6
107.08598	16.1
108.04489	11.0
108.78468	1.0
109.02904	3.4
109.06515	4.7
109.10166	18.6
110.06052	3.4
111.04439	3.1
111.08089	1.5
114.05503	1.2
117.07024	1.9
119.08577	22.7
121.06477	3.9
121.10158	7.6
123.08059	3.8
123.11715	4.9
126.05517	43.4
127.03925	4.0
131.08595	3.0
133.06491	6.0
133.10132	18.1
135.08055	7.6
135.11671	3.8
137.05959	1.8
137.09628	3.5
139.07516	1.7
143.08572	4.7
145.04950	1.9
145.06511	1.3
145.10152	4.7
147.08043	9.5
147.11702	1.9
149.05969	1.3
150.05498	3.4
151.11177	2.5
156.06616	1.8
157.10115	3.7
159.11679	5.3
161.09633	10.5
163.03931	1.6
163.11250	3.4
165.09126	9.0
168.06555	10.1
169.10112	1.2
171.11737	2.8
171.56157	1.2
173.09633	1.8
173.13324	3.3
175.11136	1.4
179.10683	7.8
185.13132	1.4
186.07643	12.8
187.11159	2.5
189.09122	7.0
197.13417	1.2
199.14789	2.7
201.12770	1.7
204.08675	1.7
207.10213	10.9
217.12329	1.2
217.15953	1.4
219.13792	1.3
225.11244	18.2
234.43892	1.3
235.16948	4.4
249.11290	1.2
255.17448	1.3
267.12329	4.3
269.19110	1.4
273.18430	1.4
287.19949	1.6
291.18292	1.1
297.18579	3.9
314.16162	1.6
315.19586	10.0
333.20511	1.5
392.17084	2.3
440.24460	4.8
474.74893	1.2
500.26370	14.9
518.27502	100.0
519.27454	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04082	0.9
52.10051	0.8
53.03934	2.3
55.01856	1.4
55.05507	3.5
56.05025	3.3
56.09947	0.9
57.03418	0.8
65.03960	1.0
67.05507	8.5
69.03436	4.4
69.07058	1.6
69.53529	1.2
69.53934	5.5
71.05007	1.1
73.02904	1.6
76.77079	0.9
79.05487	6.5
80.05015	2.2
81.03410	5.8
81.07063	5.9
83.04987	2.3
84.04507	100.0
85.02911	14.7
91.05469	9.1
93.07039	11.5
95.04973	1.8
95.08608	11.9
96.04478	2.4
97.02878	6.4
97.06497	1.4
98.06041	2.7
98.20782	1.7
98.45376	0.9
99.04455	1.4
103.03946	2.8
105.07034	12.7
107.04985	1.6
107.08589	15.1
108.04477	13.3
108.05167	1.5
109.02879	3.3
109.06512	5.0
109.10162	23.3
110.06051	2.5
111.04459	2.2
111.08074	2.0
117.06993	2.0
119.08578	24.8
121.06499	3.1
121.10146	5.5
122.06058	0.9
123.08069	5.8
123.11711	3.7
126.05520	43.7
127.03922	3.6
131.08568	1.8
133.06525	2.0
133.10144	22.5
135.08052	6.9
135.11678	2.6
137.09619	3.7
139.07611	1.6
143.08578	3.1
144.06647	0.9
145.06514	0.9
145.10141	2.6
147.08055	12.5
147.90619	0.9
149.09637	2.4
150.05432	4.0
151.11195	2.2
156.06657	1.4
159.11707	1.5
161.06062	1.1
161.09624	14.5
163.11220	2.1
165.09122	14.4
168.06569	8.0
179.10690	11.1
186.07617	16.0
189.09064	9.6
199.11195	1.1
204.08676	2.1
207.10193	13.4
225.11215	27.7
247.83330	0.9
249.11232	2.1
267.12292	6.5
269.19376	1.0
273.18582	1.2
281.45004	0.8
297.18500	1.4
311.12784	1.1
315.19559	6.2
332.14749	1.0
333.20572	2.1
341.13818	1.9
358.66736	1.4
375.21851	1.4
392.16989	4.9
410.18130	3.2
424.04208	0.9
440.24213	5.4
500.26419	12.3
518.27515	94.1
519.27802	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
53.04317	0.9
55.01865	1.3
55.05511	3.0
56.05032	3.8
57.03431	2.2
57.07069	0.9
61.53815	0.8
67.05509	8.4
69.03430	4.1
69.07043	2.1
71.04974	1.0
73.02924	1.9
79.05505	4.8
80.05012	1.8
81.03410	3.7
81.07063	9.0
83.04995	1.1
83.08616	2.0
84.04504	100.0
85.02905	14.5
86.09687	1.1
91.05475	8.6
93.07043	12.1
95.04964	2.4
95.08603	15.3
95.09161	1.3
96.04464	2.0
97.02874	5.4
97.06521	3.4
98.06049	2.0
99.04446	1.6
103.03938	2.9
105.07032	13.6
107.04966	1.2
107.08598	12.4
108.04477	12.3
109.02879	3.3
109.06528	4.0
109.10164	16.5
110.06030	2.0
111.04436	3.4
111.08090	2.0
117.07032	2.3
118.03875	0.8
119.04947	3.8
119.08582	20.8
121.06515	2.9
121.10138	8.1
122.06052	1.0
123.04445	1.2
123.08057	4.4
123.11709	4.0
126.05515	43.4
127.03918	3.9
129.07039	1.2
131.08553	4.3
133.06479	6.2
133.10130	14.2
135.08086	6.3
135.11688	3.7
137.05972	3.3
137.09604	2.1
138.26740	0.8
140.07031	0.9
143.08554	3.7
144.06534	1.5
145.10101	3.6
147.04405	13.8
147.08047	8.8
147.11711	2.2
149.09618	2.6
150.05504	3.1
151.11183	3.2
156.06531	2.0
157.10147	3.4
159.11693	3.5
161.09590	9.8
163.07648	0.9
163.11194	1.8
165.09106	8.1
168.06563	7.6
171.08051	1.1
171.11656	2.3
173.13240	2.2
175.14803	1.4
179.10703	7.6
185.13286	1.3
186.07590	11.8
187.11229	1.7
189.09106	7.8
195.11681	1.2
197.13397	1.1
199.11157	1.5
199.14723	1.2
201.12743	2.2
204.08748	2.2
207.08415	1.5
207.10164	8.9
217.12267	1.2
219.13814	1.2
225.11205	17.4
227.17838	1.2
229.64386	1.0
235.16907	1.1
237.16426	1.6
255.17519	1.8
267.12137	4.8
269.18887	1.6
279.17419	1.6
282.48215	0.9
287.16470	1.1
287.19904	1.8
297.18573	5.9
299.06100	1.3
313.12384	1.1
314.12866	1.7
314.16104	1.1
315.19543	9.3
333.20798	2.2
356.19031	4.5
359.44760	1.0
375.21698	1.1
392.16864	3.3
407.17609	1.1
410.17947	1.5
411.18607	0.9
435.23907	1.2
440.24243	5.2
500.26370	17.4
518.27747	99.8
519.27789	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82550	1.4
53.03955	1.5
55.05507	2.8
56.05032	4.2
57.03438	2.9
65.03926	1.2
67.05509	5.9
67.06717	1.1
69.03437	4.6
69.07069	2.1
73.02937	2.5
79.05499	6.4
80.05034	1.1
81.03427	4.4
81.07061	5.7
82.49122	1.1
83.08624	2.9
84.04510	100.0
85.02438	1.7
85.02914	15.8
90.11194	1.2
91.05456	6.1
93.07051	10.5
95.04945	1.9
95.08613	14.2
96.04496	1.8
97.02900	5.4
97.06544	4.1
98.53906	1.2
99.04473	1.8
103.03928	2.8
105.01891	1.3
105.07040	12.2
107.04948	1.6
107.08590	15.7
108.04473	11.0
108.73879	1.2
109.02895	3.8
109.06557	4.2
109.10172	13.0
110.06089	1.4
111.04469	3.2
111.08134	1.8
114.01234	1.2
117.06994	1.9
119.08591	22.3
121.06544	1.6
121.10146	9.4
123.08080	4.6
123.11722	4.3
126.05524	37.7
127.03918	5.2
131.08583	3.8
133.06511	7.1
133.10124	15.6
135.08058	8.2
135.11723	3.5
136.60805	1.2
137.09618	2.2
143.08556	5.4
144.06592	1.3
145.10123	5.7
145.25914	1.2
147.08066	7.7
149.09641	1.8
150.05499	3.2
156.06583	2.8
157.10112	2.6
159.11705	4.6
161.09595	7.8
163.07573	2.4
163.11153	2.6
165.09103	8.0
168.06596	7.4
173.13287	1.9
179.10614	6.9
180.07811	1.3
181.10323	1.6
185.09705	1.4
185.13301	1.6
186.07652	11.3
187.11197	1.3
189.09171	6.8
189.16466	1.4
195.10191	3.2
199.11209	1.9
199.14868	1.8
204.08760	2.6
207.10201	9.4
219.13779	1.7
225.11259	18.4
235.17072	1.7
267.12320	4.8
269.18921	1.6
276.23996	1.2
287.20001	1.1
297.18573	4.8
302.83545	1.2
314.15875	2.7
315.19534	11.2
333.20642	2.8
375.21878	1.7
392.17163	3.6
410.18115	2.0
440.24469	6.6
500.26541	14.4
518.27509	90.2
519.27734	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
53.04317	0.9
55.01865	1.3
55.05511	3.0
56.05032	3.8
57.03431	2.2
57.07069	0.9
61.53815	0.8
67.05509	8.4
69.03430	4.1
69.07043	2.1
71.04974	1.0
73.02924	1.9
79.05505	4.8
80.05012	1.8
81.03410	3.7
81.07063	9.0
83.04995	1.1
83.08616	2.0
84.04504	100.0
85.02905	14.5
86.09687	1.1
91.05475	8.6
93.07043	12.1
95.04964	2.4
95.08603	15.3
95.09161	1.3
96.04464	2.0
97.02874	5.4
97.06521	3.4
98.06049	2.0
99.04446	1.6
103.03938	2.9
105.07032	13.6
107.04966	1.2
107.08598	12.4
108.04477	12.3
109.02879	3.3
109.06528	4.0
109.10164	16.5
110.06030	2.0
111.04436	3.4
111.08090	2.0
117.07032	2.3
118.03875	0.8
119.04947	3.8
119.08582	20.8
121.06515	2.9
121.10138	8.1
122.06052	1.0
123.04445	1.2
123.08057	4.4
123.11709	4.0
126.05515	43.4
127.03918	3.9
129.07039	1.2
131.08553	4.3
133.06479	6.2
133.10130	14.2
135.08086	6.3
135.11688	3.7
137.05972	3.3
137.09604	2.1
138.26740	0.8
140.07031	0.9
143.08554	3.7
144.06534	1.5
145.10101	3.6
147.04405	13.8
147.08047	8.8
147.11711	2.2
149.09618	2.6
150.05504	3.1
151.11183	3.2
156.06531	2.0
157.10147	3.4
159.11693	3.5
161.09590	9.8
163.07648	0.9
163.11194	1.8
165.09106	8.1
168.06563	7.6
171.08051	1.1
171.11656	2.3
173.13240	2.2
175.14803	1.4
179.10703	7.6
185.13286	1.3
186.07590	11.8
187.11229	1.7
189.09106	7.8
195.11681	1.2
197.13397	1.1
199.11157	1.5
199.14723	1.2
201.12743	2.2
204.08748	2.2
207.08415	1.5
207.10164	8.9
217.12267	1.2
219.13814	1.2
225.11205	17.4
227.17838	1.2
229.64386	1.0
235.16907	1.1
237.16426	1.6
255.17519	1.8
267.12137	4.8
269.18887	1.6
279.17419	1.6
282.48215	0.9
287.16470	1.1
287.19904	1.8
297.18573	5.9
299.06100	1.3
313.12384	1.1
314.12866	1.7
314.16104	1.1
315.19543	9.3
333.20798	2.2
356.19031	4.5
359.44760	1.0
375.21698	1.1
392.16864	3.3
407.17609	1.1
410.17947	1.5
411.18607	0.9
435.23907	1.2
440.24243	5.2
500.26370	17.4
518.27747	99.8
519.27789	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58759	0.7
53.03941	2.2
54.16641	0.7
55.05515	2.2
56.05028	2.6
57.03434	1.6
57.07093	0.7
60.86386	0.8
67.05512	7.3
69.03426	4.5
69.07056	2.4
69.49934	6.4
73.02939	1.0
79.05485	4.9
80.05019	1.5
81.03414	4.0
81.07071	8.0
83.04989	1.0
83.08624	1.3
84.04510	99.6
85.02911	14.6
91.05492	6.5
93.07047	12.6
95.04953	2.4
95.08614	13.4
96.04475	1.5
97.02909	6.0
97.06525	3.2
98.06060	1.5
99.04459	1.6
103.03946	3.2
103.05469	0.9
105.07030	12.8
107.08601	16.1
108.04487	11.7
109.02890	3.1
109.06516	4.7
109.10170	17.0
110.06049	1.9
111.04436	2.9
111.08103	1.9
113.05977	0.9
117.07018	2.1
119.08589	20.0
121.06511	2.4
121.10165	7.7
123.08056	6.1
123.11741	5.0
124.03950	1.0
125.04722	0.9
125.05975	0.8
126.05524	43.7
127.03902	1.8
129.09050	1.2
130.77151	0.8
131.08565	2.8
133.06516	5.7
133.10141	16.9
135.08060	5.6
135.11708	3.0
137.09657	2.2
140.07039	1.0
143.08566	2.8
144.06584	1.7
145.10118	4.7
147.08063	7.7
147.11682	2.2
149.09673	2.5
150.05516	4.0
151.11192	2.0
156.06581	1.2
157.10158	2.9
159.11682	3.6
161.09637	10.8
161.13368	1.2
163.11195	2.8
163.14915	0.8
163.59076	0.8
164.25633	0.7
165.09132	9.9
168.06636	6.6
169.10229	1.3
171.11717	2.8
173.13315	1.9
177.12769	0.8
179.01848	0.9
179.10680	7.7
185.09598	1.6
185.13309	1.2
186.07643	11.7
187.11182	2.0
189.09096	7.5
199.11252	1.7
199.14848	1.4
201.12711	2.0
203.10762	0.8
204.08789	1.9
207.10130	9.7
209.13333	1.1
211.14748	0.9
217.31621	0.7
219.13889	2.7
225.11238	19.0
249.11121	0.9
251.86829	0.9
255.17429	1.2
267.12338	4.0
269.19055	1.7
287.16641	1.7
287.20032	1.8
297.18552	5.1
314.15833	1.1
315.19543	9.9
333.20718	2.0
375.21890	1.5
392.17038	2.0
410.18375	1.6
435.23816	0.8
440.24316	5.2
500.26468	12.2
502.95850	0.8
518.27527	100.0
519.28046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05503	1.9
55.29940	0.9
56.05025	3.8
57.03423	1.7
59.05002	1.2
67.05501	7.1
68.67622	1.0
69.03426	2.9
69.07072	3.3
69.26362	3.5
69.26791	8.0
79.05498	4.3
80.05030	1.3
81.03419	3.6
81.07062	6.2
83.04998	1.5
83.08633	1.7
84.04503	93.6
85.02905	12.8
91.05454	6.0
93.07056	10.9
95.08604	11.2
96.04514	1.0
97.02888	4.5
97.06535	1.6
103.03941	3.7
105.07037	13.1
107.08594	15.6
108.04483	10.9
109.02888	2.6
109.06526	2.7
109.10155	17.5
111.04435	4.2
111.08099	1.3
117.07019	1.4
119.08584	20.0
121.06530	2.4
121.10147	7.0
122.06065	1.2
123.08062	3.4
123.11667	5.2
126.05510	42.1
127.03899	3.3
131.08604	2.4
133.06494	4.4
133.10126	15.9
135.08029	6.1
135.11707	2.9
137.09642	1.8
143.08546	3.1
145.06561	1.2
145.10135	3.3
147.08049	8.4
149.09618	2.2
150.05525	3.8
151.11179	2.6
156.06622	2.0
157.10144	3.0
159.11754	2.8
161.09641	9.4
161.13232	1.2
163.11208	2.1
165.09128	9.0
168.06544	7.1
171.11800	2.0
173.09677	1.1
175.11261	1.0
179.10701	6.4
184.07378	3.5
185.09624	1.3
186.07610	13.9
189.09094	7.5
193.08778	1.1
199.14781	1.1
201.12759	1.7
207.10139	11.3
217.12308	1.2
219.13756	1.3
220.93161	1.1
225.11201	21.8
225.13322	1.2
249.11153	1.6
267.12244	4.6
273.18610	1.1
297.18564	2.5
315.19467	8.0
332.14957	1.3
333.20624	2.4
333.67474	1.2
375.22125	1.4
392.17001	4.5
435.23734	1.5
440.24350	5.2
454.11859	1.1
500.26572	12.3
518.27490	100.0
519.27386	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05507	2.5
56.05021	3.1
57.03419	1.8
67.05508	8.5
69.03423	3.7
69.07059	2.2
69.93193	5.2
73.02930	1.2
74.97080	0.9
79.05486	4.6
80.05016	2.1
81.03423	4.6
81.07053	10.0
81.80618	1.1
83.04969	1.5
83.08609	0.9
84.04506	100.0
85.02904	13.3
91.05460	7.8
93.07033	9.4
95.04950	2.5
95.08062	0.9
95.08611	14.3
96.04486	1.5
97.02888	3.7
97.06532	6.5
98.06026	1.0
98.20774	0.9
99.04449	1.0
103.03944	2.1
103.05420	1.1
105.07034	11.1
105.33795	0.8
107.08601	13.1
108.02842	0.9
108.04478	9.0
109.02843	2.2
109.06525	4.6
109.10151	13.4
111.04470	4.7
111.08056	1.7
117.07029	3.1
119.08581	19.5
121.06492	2.0
121.10137	10.0
123.08054	3.3
123.11702	5.9
126.05518	43.6
127.03908	2.2
129.06960	1.5
131.08585	4.5
132.34062	1.1
133.06483	3.5
133.10114	13.9
135.08072	5.8
135.11682	2.5
137.05986	2.4
137.09633	2.6
141.09097	0.9
142.98003	1.0
143.08577	3.0
145.10146	4.6
147.08052	6.0
147.11670	2.6
149.09599	2.0
150.05492	2.9
151.11229	1.9
156.06590	1.6
156.09369	1.1
157.10133	2.2
159.11714	4.5
161.09644	8.9
161.13223	2.1
163.11168	2.3
165.09103	8.1
167.68021	1.1
168.06573	6.8
169.10112	1.0
171.11722	3.0
173.13275	3.2
175.11249	1.5
175.14828	1.0
179.10689	5.9
183.11613	1.5
185.09578	1.2
185.13350	1.5
186.07616	11.7
187.11224	2.5
187.14754	1.5
189.09181	4.2
197.13297	1.7
199.11209	1.0
199.14861	1.5
201.12759	1.6
204.08627	1.9
207.10136	5.8
209.13155	1.1
211.11197	0.9
213.12634	1.1
219.13773	2.4
225.11188	12.0
236.89409	1.1
249.11290	1.5
251.18024	1.2
255.17300	1.5
267.12335	2.7
269.19125	2.0
273.18472	1.1
279.17413	1.6
287.16406	2.5
287.19922	1.8
297.18457	5.4
314.15988	1.0
315.19510	14.1
333.20782	1.8
375.21503	1.8
392.17010	2.3
440.24243	4.8
463.61523	1.1
482.25137	1.0
500.26367	13.1
518.27502	94.2
519.27502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01877	1.0
55.05511	1.7
56.05042	3.0
57.03430	1.2
60.04519	0.6
62.22963	0.5
67.05502	8.4
69.03426	3.8
69.07072	1.5
70.69847	2.2
73.02933	1.2
79.05486	5.2
80.05019	2.4
81.03421	3.8
81.07054	7.2
83.04988	1.1
83.08614	1.2
84.04504	97.2
85.02914	15.0
85.89981	0.6
91.05473	7.6
93.07049	13.0
95.04995	1.7
95.08607	12.0
96.04487	1.8
97.02885	5.8
97.06528	1.6
98.06037	1.5
99.04437	0.7
103.03969	2.0
104.24962	0.6
105.07026	11.7
107.04957	1.4
107.08592	13.6
108.04488	11.9
108.05222	0.7
109.02883	2.4
109.06508	5.3
109.10155	17.2
110.06054	1.7
111.04430	3.3
111.08081	1.6
117.07035	2.7
119.08580	24.6
121.06509	2.2
121.10139	6.4
122.06030	1.0
123.04459	0.7
123.08054	4.1
123.11700	3.3
125.06001	0.9
126.05518	41.3
127.03969	2.2
128.06250	0.7
129.06998	0.7
130.07777	0.8
131.08595	2.4
133.06509	2.6
133.10132	18.7
135.08061	7.8
135.11674	3.3
137.05968	0.9
137.09613	2.7
140.07132	0.8
143.08543	3.8
144.06599	1.4
145.06506	0.7
145.10124	3.1
146.07248	0.6
147.08043	10.5
149.09656	2.4
150.05522	3.9
151.07518	0.6
151.11203	2.3
155.08583	0.7
156.06593	1.7
157.10190	1.8
159.08083	0.6
159.11722	1.7
161.09628	12.1
161.13242	0.8
163.07599	1.1
163.11160	2.9
165.09116	10.6
167.05600	0.6
168.06558	9.8
171.11674	0.9
172.37431	0.6
173.09674	1.1
173.13191	0.7
175.11208	0.7
179.10667	9.6
186.07626	16.5
187.11223	1.3
189.09106	10.1
199.11270	0.7
199.14864	0.7
201.12726	1.0
204.08647	1.5
205.12317	0.7
207.10168	13.2
207.12030	0.9
219.13737	0.8
225.11217	23.6
249.11253	1.9
255.30154	0.6
267.12201	6.0
269.19022	0.8
279.17566	0.6
287.16513	0.8
297.18570	2.4
314.15982	0.8
315.19495	6.5
327.14505	0.8
332.14969	1.0
333.20633	1.4
351.17642	0.8
357.20657	0.7
375.21844	1.2
392.17038	3.7
410.18387	1.5
435.23975	1.1
440.24319	4.6
500.26367	10.9
518.27509	100.0
519.27979	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.75484	0.9
52.36759	0.8
53.03940	1.7
55.01853	1.8
55.05305	0.9
55.05521	11.5
56.96563	1.5
57.03440	4.6
57.07072	1.2
65.03939	1.1
67.05508	22.9
69.07068	14.1
69.29331	5.4
69.29756	5.2
71.04971	1.4
74.27616	0.9
79.05501	15.7
81.07063	31.6
83.04977	2.2
83.08620	6.2
85.06549	2.7
91.05487	15.2
93.07053	26.1
95.04974	2.6
95.08616	26.8
97.06551	2.6
97.10175	3.2
105.07037	19.6
107.08597	14.9
109.06544	1.8
109.10158	12.4
117.07055	5.0
119.08594	18.9
121.06513	2.4
121.10155	14.9
123.08055	1.3
123.11721	3.6
125.09688	1.0
129.06985	3.4
131.08582	13.9
131.26590	1.0
133.10146	14.7
135.11685	8.0
137.09592	0.9
137.13229	1.3
143.08591	4.9
145.10124	12.5
147.11691	11.2
149.09599	1.1
149.13251	5.1
155.08644	1.8
157.10121	5.4
159.11719	11.3
161.13252	6.0
163.11224	1.5
163.14851	3.4
165.12698	1.1
169.10170	2.6
171.11703	6.1
173.13266	9.0
175.14867	3.2
181.10297	1.0
183.11784	2.0
185.13277	4.3
187.14844	3.9
189.16483	1.1
191.14397	1.2
192.31955	0.8
197.13321	2.6
199.14796	2.2
201.16364	1.9
205.04735	2.4
205.15987	1.0
211.14847	1.9
219.17592	1.0
227.17972	1.4
239.18130	1.2
241.17867	1.5
259.20618	1.6
273.21988	1.9
283.76978	1.0
285.22226	1.4
287.23743	1.5
299.23737	2.7
303.23203	1.3
317.24881	1.4
331.26294	2.1
333.24432	2.0
335.26129	1.3
387.28854	1.2
391.28644	1.0
405.30188	2.6
407.33139	2.6
425.34213	10.8
443.35461	4.5
481.37100	1.1
499.37894	17.9
517.38959	100.0
518.38690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.05517	9.7
57.03428	2.6
65.03935	1.5
67.05508	19.5
69.07076	9.6
69.26791	9.9
69.27209	3.3
70.64807	1.1
71.04993	1.5
77.16813	1.0
79.05499	12.1
81.07058	22.9
83.04978	1.4
83.08614	5.2
84.27375	1.0
85.06540	1.8
91.05490	12.6
93.07044	21.1
94.15022	1.1
95.04984	1.6
95.08618	19.4
97.06531	2.9
97.10177	3.0
105.07034	14.8
107.08591	14.1
109.10136	9.3
111.08055	1.5
113.00024	4.4
117.07027	4.5
119.08593	17.2
121.10151	10.0
123.08103	2.2
123.11720	3.2
123.83541	1.0
129.06993	2.9
131.08582	8.3
133.10126	12.6
135.11682	6.8
143.08569	4.6
145.10136	10.9
147.11679	10.4
149.13281	4.5
155.08597	1.4
157.10136	4.8
159.11699	8.6
161.13266	5.1
163.14915	2.0
165.12697	1.5
169.10141	2.0
171.11705	3.1
173.13264	7.6
175.14891	2.2
179.14001	1.1
183.11755	2.7
185.13293	2.3
187.03708	1.2
187.14824	2.5
189.16431	2.1
197.13292	2.0
199.14926	2.8
201.16409	2.1
211.14890	2.3
215.17940	1.2
219.17262	1.0
230.09592	1.2
241.18008	2.2
245.19122	1.1
259.20645	2.4
275.20340	1.2
285.22321	1.3
313.25385	1.5
317.24753	1.4
331.26398	2.0
336.07602	1.1
358.47324	1.3
363.02399	1.3
405.30133	4.2
407.33170	3.7
419.31769	1.7
425.34146	9.4
427.79199	1.3
443.35284	4.9
499.37927	16.9
517.38965	100.0
518.39331	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49882	1.2
53.28876	1.1
55.01865	1.7
55.05524	10.6
57.03453	3.9
57.07074	1.9
67.05505	21.5
69.07068	10.0
71.04986	1.7
71.60512	2.2
77.32964	1.2
79.05499	13.8
81.07060	28.5
83.08617	6.7
85.06566	1.5
91.05481	14.7
93.07041	23.2
95.04987	2.2
95.08608	20.8
97.06544	1.8
97.10201	3.6
99.08097	1.3
100.47335	1.3
105.07034	16.9
107.08611	13.9
109.10171	9.4
111.08108	1.5
117.07025	6.0
119.08591	16.6
121.10146	11.9
122.86462	1.3
123.08129	1.9
129.07051	1.5
131.08556	13.0
133.10149	12.6
135.11707	6.8
139.11203	1.4
140.15446	1.4
143.08580	5.2
145.10132	12.3
147.11688	9.4
149.13281	4.2
155.08653	3.0
157.10172	4.5
159.11656	10.2
161.13304	6.6
163.14896	1.4
166.20964	1.2
169.10207	2.4
171.11739	4.4
173.13269	8.0
175.14845	3.8
179.41615	1.2
183.11737	1.9
185.13350	2.5
187.14914	4.1
189.16373	1.4
199.14914	3.2
201.16394	3.3
241.17926	2.1
259.20602	2.5
293.20956	1.3
299.23773	1.5
326.53696	1.6
326.65442	1.5
333.24295	1.6
377.27750	1.4
383.30054	1.4
405.29868	2.4
407.33197	1.9
425.34113	8.7
443.35135	6.1
444.80389	1.5
447.31342	1.4
499.37924	12.5
517.39050	100.0
518.39313	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03959	1.4
55.01857	1.5
55.05513	13.2
57.03422	3.3
57.07059	2.8
58.07498	1.1
58.80717	1.0
62.51365	1.3
63.22716	1.2
67.05511	23.5
68.70663	1.2
69.07069	10.1
71.05000	2.5
71.08622	1.3
71.58798	2.0
72.99762	1.2
79.05490	17.3
81.07056	28.7
83.04985	2.2
83.08617	5.8
85.06590	1.7
91.05479	13.5
93.07047	24.7
95.04971	2.2
95.08605	25.4
97.06541	3.1
97.10165	3.2
99.08149	2.5
105.07021	16.5
107.08585	15.3
109.06506	2.0
109.10154	9.5
111.08105	2.0
113.00024	7.0
117.06981	5.7
119.08575	15.7
121.10146	13.3
123.08089	3.3
123.11732	2.3
125.09605	1.4
129.06996	3.4
131.08591	11.1
133.10117	14.8
135.08076	1.9
135.11693	9.7
137.09544	1.3
143.08575	4.1
145.10114	11.1
147.11661	8.5
149.13309	4.3
155.08545	2.0
157.10184	4.9
159.11690	10.7
159.12704	1.1
161.13268	5.3
163.03923	4.9
163.14922	1.5
169.10181	2.6
171.11729	3.9
173.13251	8.2
175.11386	1.3
175.14870	4.3
177.12782	1.2
179.14384	2.4
180.56548	1.2
183.11739	2.5
185.13313	3.6
187.14879	2.5
189.16498	1.6
197.13300	1.8
199.14838	2.6
201.16385	2.6
211.14821	1.5
215.17947	2.4
225.16417	2.1
259.20563	2.3
271.20761	1.3
285.22321	1.5
287.23700	2.2
299.23975	1.3
313.25320	1.5
329.24875	1.4
331.26328	4.7
333.24152	1.4
334.22061	1.2
337.25116	1.5
370.61435	1.3
405.29922	5.6
407.27682	1.5
407.33133	2.5
425.34073	8.2
443.35223	4.5
452.72998	1.2
499.38052	13.1
517.38898	100.0
518.39636	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.7
57.03422	4.5
57.07081	2.9
67.05514	12.1
69.07067	10.0
69.87400	9.6
71.08628	6.6
79.05473	10.1
81.07065	21.2
83.08617	4.6
84.04496	5.9
85.02904	2.5
85.06547	2.1
85.84396	1.4
86.09737	2.1
91.05476	6.9
93.07043	12.0
95.08607	15.2
97.06554	3.1
97.36365	1.7
99.08080	3.7
105.07059	12.7
106.36949	1.6
107.08597	12.8
109.06531	10.3
109.10147	7.9
113.00019	100.0
117.03359	1.8
117.07026	1.7
119.08585	13.1
121.10150	8.1
123.08063	25.4
123.11723	2.6
131.08577	4.8
133.10132	11.4
135.04442	3.7
135.08067	14.6
135.11728	2.9
137.09613	2.6
137.92601	1.7
143.08548	2.1
145.02902	2.7
145.10146	6.4
147.11667	6.8
149.09613	2.2
149.13290	1.8
156.52133	1.8
159.11702	3.2
161.09630	4.4
161.13264	2.3
163.03912	19.7
173.13261	3.5
175.14874	7.9
177.12787	4.5
177.16344	1.7
179.14331	37.8
183.11568	1.9
184.07330	4.4
186.07555	2.4
187.03685	13.7
190.96327	2.3
191.14256	2.0
193.15823	2.6
205.15872	6.6
214.06033	1.6
225.11302	2.1
230.05736	1.6
247.20564	1.9
275.19992	2.6
289.21518	8.2
293.21091	3.3
303.26688	4.7
309.23059	1.6
331.22357	3.4
331.26300	54.0
347.25681	1.9
349.27478	7.9
375.28870	2.3
380.08228	1.9
387.28903	7.0
405.30011	97.3
456.49829	1.8
457.22583	2.5
499.27957	2.4
517.29608	11.4
518.27283	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	517.2409
Annotation	13(S),14(S)-epoxy Fluprostenol isopropyl ester
Peak:m/z	Relative Intensity
67.05470	0.2
70.75823	0.5
82.06391	0.2
84.04474	0.3
85.02893	0.5
86.74906	0.3
89.03910	0.4
93.07015	0.3
103.33394	0.2
117.03355	0.4
120.01088	0.2
120.01856	0.8
135.04396	0.7
145.02872	0.4
163.03889	3.6
185.04193	4.0
197.24232	0.2
225.85419	0.3
247.09132	0.5
313.12613	2.4
355.18777	22.2
356.19153	0.4
391.19397	0.3
419.64008	0.3
517.24066	100.0
518.24518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.241
Annotation	Arisanschinin J
Peak:m/z	Relative Intensity
55.05498	0.9
56.05024	0.8
67.05502	0.9
69.03430	1.8
69.07025	1.0
70.06582	1.0
71.04980	0.8
79.05477	1.1
81.03412	1.9
81.07031	1.2
83.04999	1.7
84.04507	1.8
85.02901	2.0
86.09693	3.5
89.03928	2.1
91.05473	1.3
93.07040	1.8
95.04988	0.9
95.08580	0.9
97.02876	1.2
99.05588	1.5
99.67391	0.7
105.07042	1.9
107.04985	1.0
107.08595	1.0
109.02891	1.2
109.06494	0.8
109.10141	1.0
111.08122	0.8
114.05576	0.8
117.03390	3.4
119.08535	0.9
121.10194	1.0
127.03921	3.0
133.10135	1.7
134.36307	0.9
135.04391	6.8
135.11717	1.8
136.36006	0.8
137.06007	1.3
145.02859	3.3
146.11780	1.1
147.04405	1.4
151.11194	1.4
153.12791	1.1
163.03902	34.3
164.04288	0.8
203.05240	12.9
203.07056	1.1
219.08243	0.8
279.06586	0.7
337.17654	9.0
517.24127	100.0
518.24042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01873	13.3
55.05506	12.1
57.03442	21.8
59.05006	16.7
60.02134	1.9
61.02928	3.3
65.03957	2.0
67.05512	21.2
69.03431	25.0
69.07069	12.2
69.96389	3.0
69.96800	7.2
71.01357	29.0
71.04996	22.3
73.02913	8.3
75.04485	7.3
77.03926	3.2
79.05497	37.8
81.03427	6.0
81.07061	58.4
81.07525	4.1
82.04181	2.3
83.01347	2.2
83.04979	22.4
83.08640	4.1
85.02907	70.5
85.06550	9.3
87.04468	21.5
91.05482	39.3
93.07048	85.8
95.01331	4.4
95.04966	25.1
95.08606	28.4
97.02892	34.2
97.06528	31.6
98.21488	2.0
99.00810	18.6
99.04459	23.7
99.15897	1.8
101.02388	3.6
101.06044	2.8
103.03951	18.4
103.05478	5.3
105.04515	1.8
105.07034	76.5
107.04961	6.5
107.08597	72.6
109.06520	31.5
109.10170	20.3
111.04446	13.1
111.08068	11.7
111.24073	2.0
113.02360	19.4
113.06004	4.7
115.05450	2.6
117.05509	7.8
117.07016	6.6
119.04891	2.9
119.08579	52.2
121.06505	43.3
121.10133	8.8
123.04462	4.9
123.08076	12.7
123.11726	4.5
125.05988	15.1
127.03915	9.1
127.07560	12.7
128.06253	2.6
129.05478	10.7
129.06996	5.9
131.03413	10.3
131.04948	4.9
131.08585	11.5
133.06483	4.2
133.10133	24.0
135.04420	8.5
135.08051	30.7
137.05948	8.9
137.09610	6.0
139.07538	25.0
141.01840	4.7
141.05409	2.3
141.06953	2.2
141.09029	2.0
142.07791	6.5
143.07043	13.7
143.08580	9.9
145.02884	3.8
145.04964	7.0
145.06474	2.3
145.10136	17.0
147.08044	10.6
147.11690	100.0
149.09631	3.0
149.13263	6.7
151.07532	5.2
153.09161	3.4
154.68585	2.4
155.03424	3.5
155.07146	4.2
155.08531	2.6
156.09364	5.1
157.08629	5.5
157.10158	18.8
159.08041	2.3
159.11748	2.8
161.05984	5.8
161.09642	5.9
161.13263	16.9
163.03879	5.4
163.11203	1.9
163.14841	2.7
165.12756	37.6
166.07858	3.3
167.07060	3.1
169.04944	4.5
171.06590	4.6
171.11685	23.2
173.04390	4.2
173.08200	2.4
173.09569	4.3
173.13358	4.6
175.11201	42.3
177.05508	6.9
181.10191	3.7
187.06039	3.9
189.09146	2.6
189.12755	50.0
189.14423	3.6
191.14302	4.7
193.12253	65.9
197.04420	3.0
199.11162	21.8
201.07443	2.3
207.13817	39.2
209.11777	2.5
209.15347	5.7
211.13329	2.7
215.05534	7.2
217.12236	72.8
219.08658	2.6
225.14694	2.0
229.07199	2.2
229.14372	2.4
235.13298	67.3
247.08183	6.8
249.14989	2.3
253.14391	31.3
286.35751	2.1
291.15863	5.2
309.16959	24.9
319.22769	2.5
327.18121	37.7
337.16934	2.1
339.12247	2.1
349.12799	2.0
351.18127	3.6
402.11639	2.1
419.03601	2.1
423.20035	2.3
449.18182	3.5
467.19116	6.1
481.20770	5.5
499.21552	5.5
517.23328	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	517.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04081	2.8
53.03943	6.4
55.01876	17.1
55.05502	12.2
57.03430	23.7
59.05009	16.7
61.02912	4.2
62.71933	2.9
65.03954	4.4
65.93794	2.6
67.05506	23.8
69.03430	25.0
69.07075	15.5
69.38726	17.2
69.39144	11.0
71.01366	30.3
71.04991	24.4
73.02921	3.5
75.04469	11.2
75.71375	3.0
79.05492	45.8
81.03417	6.7
81.07059	65.7
83.01343	3.7
83.04974	17.3
83.08640	2.8
85.02429	5.3
85.02907	78.3
85.06526	8.5
87.04474	20.8
91.05486	40.0
93.06467	5.6
93.07047	90.8
95.04965	27.9
95.08606	29.7
97.02905	41.0
97.06528	33.3
99.00822	17.7
99.04474	32.3
101.02377	3.0
101.06001	4.8
103.03944	16.3
103.05468	12.4
105.07030	79.3
107.04927	9.1
107.08599	75.0
109.06524	29.6
109.10133	16.3
111.04436	15.8
111.08064	11.0
113.02369	18.0
113.05991	4.6
117.05510	8.0
117.06991	6.4
119.04919	10.8
119.07789	4.3
119.08596	50.6
121.06499	45.2
121.10174	14.2
123.04401	4.1
123.08064	12.6
123.11694	5.6
125.05991	14.6
127.03951	15.4
127.07532	13.0
128.06190	3.8
129.05481	16.0
129.06975	7.3
131.03392	10.6
131.04918	24.6
131.08565	13.3
133.06490	8.4
133.10139	23.9
135.04430	26.8
135.08052	29.2
137.05965	11.3
137.09616	11.4
139.07549	25.5
141.01855	7.3
142.07767	7.1
143.07083	14.3
143.08545	10.9
145.04985	8.7
145.06468	3.6
145.10088	20.5
147.04414	13.7
147.08014	7.5
147.11688	100.0
149.13211	7.2
151.03937	3.6
151.07410	4.3
155.07065	7.6
156.09326	8.8
157.08702	5.6
157.10130	25.1
159.02843	5.6
159.11720	6.2
161.05997	26.1
161.09605	6.0
161.13297	21.0
162.06720	4.7
163.03883	4.3
163.11176	3.7
165.12750	34.8
167.07092	4.3
169.04997	5.8
169.08595	3.7
171.06520	4.2
171.11752	25.2
173.08194	4.0
173.09595	6.7
173.13239	5.0
175.11166	36.2
177.05489	10.6
181.10126	3.9
185.11705	4.4
185.62541	2.8
189.12744	48.1
191.14345	8.4
193.12241	56.3
197.04585	2.9
199.11188	19.1
207.13780	36.3
209.15338	5.4
211.13181	5.5
215.05513	11.7
215.43295	3.0
217.12234	92.3
219.08211	3.6
229.14352	5.3
235.13284	66.7
247.08029	6.7
253.14378	29.3
309.17014	25.6
321.63812	3.0
327.18076	40.7
351.17972	6.6
356.55154	2.9
467.19171	5.9
481.20508	5.6
499.22006	6.4
505.81006	4.2
517.23157	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	517.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21799	0.9
53.03933	1.7
55.01855	1.6
55.05520	1.4
56.96571	1.8
57.03429	1.4
61.02919	2.5
62.57472	0.9
62.85095	0.8
65.03954	1.2
67.05495	2.0
69.03434	8.4
69.07072	1.8
69.74419	1.9
69.74822	4.0
71.05012	1.3
73.02915	1.6
79.05488	2.9
81.03403	4.4
81.07046	2.6
81.14412	1.0
82.93201	0.8
83.04974	1.5
84.04520	7.7
85.02909	17.9
85.06570	0.9
91.05480	9.4
93.07043	3.7
95.04978	1.9
95.08610	3.9
97.02905	6.2
97.06518	2.9
99.04433	2.0
102.22698	0.9
103.05471	2.4
105.07027	5.3
107.04967	7.5
107.08589	3.5
108.05748	1.9
109.02879	3.6
109.06532	2.0
109.10174	2.8
115.05461	4.0
117.07035	2.8
119.04954	2.6
119.08581	4.7
121.06508	2.6
121.10174	1.3
123.08074	1.2
125.09640	1.2
126.05502	1.7
127.03915	5.5
128.06206	3.0
129.07021	2.9
131.04916	4.4
131.08537	2.3
132.05724	2.8
133.06497	3.7
133.10139	1.8
135.04396	2.3
135.08020	1.3
135.11723	1.0
136.05196	10.9
137.05974	4.0
137.09605	1.3
139.03998	0.9
139.07593	1.0
141.06999	2.1
145.04979	2.7
145.06468	2.5
145.10118	1.2
146.07275	2.2
147.04437	6.8
147.08046	5.7
147.11681	2.4
151.07552	100.0
155.04849	1.3
157.06433	1.6
159.08058	1.2
159.11676	2.3
160.05156	4.4
161.06039	5.5
163.03906	2.7
163.07512	2.5
165.09151	1.3
167.07080	1.9
169.06480	1.2
171.08051	1.7
173.02365	1.2
175.07555	46.3
176.07968	1.0
177.05519	1.7
177.09113	9.1
181.08682	1.4
184.05156	1.4
187.07568	7.4
189.09123	1.1
199.07530	10.6
201.09088	2.4
203.05798	1.0
203.08644	2.1
215.06905	2.1
219.07999	2.2
225.11243	1.0
231.08069	3.2
232.09131	0.9
233.09586	2.3
234.10434	2.4
237.08983	1.0
245.09641	2.7
246.10367	1.9
247.07564	1.5
251.10469	1.0
259.07367	1.9
261.09158	2.8
262.09933	2.3
263.10596	2.4
265.12265	4.8
273.09167	2.3
274.09891	3.2
275.10538	1.9
277.12292	2.7
279.10159	2.7
286.83591	0.9
290.09470	1.4
291.10065	5.7
293.11688	5.9
294.12259	1.9
295.09244	1.2
305.11664	7.2
306.12402	6.8
307.09695	1.5
309.14886	2.3
310.12030	3.0
313.12711	1.6
315.16196	0.9
319.22873	1.0
322.11929	3.2
325.14307	18.3
326.14377	1.2
337.14328	21.1
339.15964	1.5
502.66275	0.9
517.17767	6.7
517.24530	3.4
518.27582	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	517.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25281	0.7
61.02905	1.2
69.03416	2.1
70.00378	3.3
70.06572	1.2
81.03440	0.9
84.04456	0.9
85.02901	6.6
86.09695	1.7
89.03918	3.5
91.05540	0.8
97.02876	2.3
98.31223	0.7
98.97558	1.1
107.04955	1.8
109.02861	0.8
117.03371	5.0
123.70612	0.9
127.03896	1.7
135.04413	11.2
140.05438	0.6
145.02837	8.5
145.04964	1.3
147.04404	1.4
163.03900	100.0
175.00937	0.7
177.61295	0.7
218.79150	0.7
283.09195	0.9
327.66031	0.7
421.71475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21799	0.9
53.03933	1.7
55.01855	1.6
55.05520	1.4
56.96571	1.8
57.03429	1.4
61.02919	2.5
62.57472	0.9
62.85095	0.8
65.03954	1.2
67.05495	2.0
69.03434	8.4
69.07072	1.8
69.74419	1.9
69.74822	4.0
71.05012	1.3
73.02915	1.6
79.05488	2.9
81.03403	4.4
81.07046	2.6
81.14412	1.0
82.93201	0.8
83.04974	1.5
84.04520	7.7
85.02909	17.9
85.06570	0.9
91.05480	9.4
93.07043	3.7
95.04978	1.9
95.08610	3.9
97.02905	6.2
97.06518	2.9
99.04433	2.0
102.22698	0.9
103.05471	2.4
105.07027	5.3
107.04967	7.5
107.08589	3.5
108.05748	1.9
109.02879	3.6
109.06532	2.0
109.10174	2.8
115.05461	4.0
117.07035	2.8
119.04954	2.6
119.08581	4.7
121.06508	2.6
121.10174	1.3
123.08074	1.2
125.09640	1.2
126.05502	1.7
127.03915	5.5
128.06206	3.0
129.07021	2.9
131.04916	4.4
131.08537	2.3
132.05724	2.8
133.06497	3.7
133.10139	1.8
135.04396	2.3
135.08020	1.3
135.11723	1.0
136.05196	10.9
137.05974	4.0
137.09605	1.3
139.03998	0.9
139.07593	1.0
141.06999	2.1
145.04979	2.7
145.06468	2.5
145.10118	1.2
146.07275	2.2
147.04437	6.8
147.08046	5.7
147.11681	2.4
151.07552	100.0
155.04849	1.3
157.06433	1.6
159.08058	1.2
159.11676	2.3
160.05156	4.4
161.06039	5.5
163.03906	2.7
163.07512	2.5
165.09151	1.3
167.07080	1.9
169.06480	1.2
171.08051	1.7
173.02365	1.2
175.07555	46.3
176.07968	1.0
177.05519	1.7
177.09113	9.1
181.08682	1.4
184.05156	1.4
187.07568	7.4
189.09123	1.1
199.07530	10.6
201.09088	2.4
203.05798	1.0
203.08644	2.1
215.06905	2.1
219.07999	2.2
225.11243	1.0
231.08069	3.2
232.09131	0.9
233.09586	2.3
234.10434	2.4
237.08983	1.0
245.09641	2.7
246.10367	1.9
247.07564	1.5
251.10469	1.0
259.07367	1.9
261.09158	2.8
262.09933	2.3
263.10596	2.4
265.12265	4.8
273.09167	2.3
274.09891	3.2
275.10538	1.9
277.12292	2.7
279.10159	2.7
286.83591	0.9
290.09470	1.4
291.10065	5.7
293.11688	5.9
294.12259	1.9
295.09244	1.2
305.11664	7.2
306.12402	6.8
307.09695	1.5
309.14886	2.3
310.12030	3.0
313.12711	1.6
315.16196	0.9
319.22873	1.0
322.11929	3.2
325.14307	18.3
326.14377	1.2
337.14328	21.1
339.15964	1.5
502.66275	0.9
517.17767	6.7
517.24530	3.4
518.27582	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	517.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63036	0.4
63.02365	0.7
67.05505	0.5
67.63223	0.4
71.05009	0.5
71.38124	0.8
79.05487	1.7
81.07057	0.8
86.09707	0.6
89.03919	8.4
93.07024	1.0
95.04980	0.8
98.14882	0.4
107.04942	2.0
109.30304	0.4
114.50677	0.4
117.03374	9.7
135.04416	19.9
145.01759	0.8
145.02846	12.9
145.03987	0.8
163.03903	100.0
164.04292	0.8
179.07153	0.5
197.08087	0.7
262.73529	0.5
308.33340	0.5
319.08136	2.7
361.13995	0.4
499.12262	2.4
530.44861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1342
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
51.61284	0.3
53.03909	0.4
59.46425	0.2
63.02380	0.4
69.03414	0.3
71.59457	0.4
77.56467	0.2
79.05090	0.3
79.05480	1.4
80.12926	0.3
81.07027	0.3
84.91458	0.3
86.90524	0.3
89.03917	8.5
89.87411	0.3
91.05478	0.5
95.04966	1.4
97.02849	0.4
99.08087	0.5
100.46536	0.3
105.06999	0.6
107.04947	3.0
107.08553	0.4
117.03373	10.2
119.08563	0.3
125.99857	0.3
127.03915	0.3
132.26761	0.3
135.04410	21.2
137.05977	0.3
142.76553	0.3
145.02837	12.8
145.03989	0.7
148.69070	0.3
159.11653	0.3
163.03897	100.0
164.04257	0.5
186.05447	0.5
211.13322	0.3
259.93771	0.3
319.08148	2.5
337.09238	0.9
499.12271	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35048	0.2
56.07058	0.3
62.01589	0.3
63.02367	0.4
63.88079	0.2
70.65794	0.5
74.04744	0.2
75.70981	0.2
79.05508	1.3
83.46471	0.2
89.03916	7.8
90.42677	0.2
95.04971	0.7
107.04967	2.1
109.98760	0.3
111.04482	0.3
117.03379	9.0
135.04419	18.9
136.04820	0.3
145.02855	13.3
156.86130	0.2
163.03906	100.0
164.04262	0.8
181.04861	0.3
276.54483	0.2
319.08115	3.1
323.05740	0.3
337.09274	0.9
340.79248	0.3
465.85760	0.3
499.12384	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1339
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
63.02360	0.4
70.27838	0.6
70.28242	0.5
70.89268	0.3
72.55978	0.3
79.05476	1.3
89.03398	0.6
89.03914	7.9
95.04970	0.6
99.75526	0.3
107.04958	2.1
117.02515	0.3
117.03379	9.0
135.04413	18.8
145.02841	12.0
145.03989	0.6
163.03899	100.0
164.04254	1.6
186.05525	0.5
319.08185	3.5
337.09122	0.6
499.12335	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	9.5
67.05503	14.7
68.78996	5.0
79.05492	8.0
83.04988	13.0
84.01112	4.8
91.05493	12.2
93.07064	8.0
95.08609	24.6
98.21597	11.1
101.06113	6.3
102.69231	5.3
103.06429	5.7
105.07056	21.9
107.08606	9.9
111.04460	9.5
117.07095	8.9
118.70667	5.0
119.08582	58.7
131.08623	9.1
133.10141	35.6
135.11659	7.6
145.10123	12.2
147.11739	14.1
157.10130	11.5
158.38356	5.4
159.11716	10.3
161.13242	11.7
171.11691	6.9
173.13179	10.3
175.26619	5.9
185.13283	8.3
197.13235	8.8
211.14998	5.9
243.13788	7.2
253.19548	13.2
281.19128	9.9
299.20114	100.0
515.93610	5.6
516.37213	11.0
517.68341	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	516.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.86396	1.1
54.33455	1.1
55.05518	11.1
55.33722	1.1
57.07077	1.7
61.71140	1.2
63.81968	1.2
67.05507	17.0
68.05839	2.2
69.07079	5.7
71.05035	1.1
71.60546	1.1
79.05484	9.7
80.05823	1.7
81.06628	1.8
81.07056	14.3
83.04983	13.4
83.08617	2.1
84.08999	1.0
91.05476	14.2
93.07049	14.7
94.07374	1.5
95.04966	1.7
95.08611	21.2
95.09168	1.9
96.08961	1.1
97.06521	1.2
97.10158	1.1
105.07036	19.0
107.08613	12.2
109.10163	6.8
111.04445	8.9
117.07027	5.1
119.08589	49.1
120.08945	2.0
121.10179	7.9
129.07018	2.3
131.08571	6.6
133.10138	29.3
135.08151	1.6
135.11674	6.7
136.12013	3.2
139.07579	1.6
141.07014	1.6
142.07764	2.0
143.08557	4.4
144.08925	1.3
145.10135	15.1
146.10506	1.6
147.11691	11.6
155.08568	5.3
156.09314	2.4
157.10133	6.5
159.11705	14.3
161.13246	8.2
169.10181	6.1
170.10812	1.6
171.11694	9.9
173.09673	1.5
173.13226	8.3
175.14949	1.3
181.12187	1.9
183.11691	7.9
185.09631	1.7
185.13280	5.5
187.11214	2.5
187.14810	4.1
189.16400	5.4
195.11604	2.0
197.09604	1.2
197.13280	9.5
199.11366	1.3
199.14850	5.1
201.16441	4.7
203.10593	1.7
205.12196	2.9
209.13243	1.4
211.11195	2.8
211.14809	3.2
217.12242	2.5
219.13751	1.8
221.13240	1.6
225.12770	3.2
225.16408	1.4
229.12230	4.6
237.16406	1.5
239.14256	1.7
239.17892	4.0
243.13850	4.1
253.15741	1.8
253.19572	12.0
255.21071	3.6
257.15366	2.7
263.18280	1.4
271.20422	1.3
281.19016	9.1
299.20074	100.0
300.20200	1.4
442.34103	1.4
487.73230	1.2
516.37610	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	516.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.0
55.05511	39.1
67.05516	8.0
69.07066	3.4
70.94592	2.7
70.94962	2.4
71.04977	1.3
79.05493	5.4
81.07063	9.1
83.04981	83.6
83.08604	2.4
91.05479	7.8
93.07034	6.3
95.04990	1.3
95.08603	20.4
101.06012	1.6
105.06365	2.2
105.07023	17.1
107.08585	10.6
109.10162	5.7
111.04447	9.0
117.07049	3.3
119.08581	60.8
121.10148	5.5
123.08155	1.3
123.11637	1.7
128.53989	1.2
129.06926	1.2
131.08566	7.7
133.10129	26.2
135.11641	2.6
141.06981	2.2
143.08575	5.0
145.10112	15.2
147.11684	10.9
155.08534	4.4
156.09320	2.1
157.10121	8.2
159.11696	18.1
160.12535	1.8
161.09563	1.7
161.13245	8.0
163.03908	3.1
168.09402	1.5
169.10117	4.5
170.10869	1.3
171.11703	6.8
173.09724	1.3
173.13289	7.3
181.12231	1.5
183.11690	9.1
185.13286	6.4
187.11209	3.5
187.14871	5.4
189.16362	6.6
195.11737	1.8
197.09569	1.7
197.13264	8.8
199.11270	1.6
199.14824	5.3
201.16391	5.5
211.11244	2.8
211.14876	4.5
213.12666	1.7
215.10638	1.7
217.12167	2.4
219.13876	1.3
225.12724	1.9
225.16411	1.5
229.12222	5.6
239.14301	3.6
239.17989	4.7
243.13780	4.9
253.15718	1.3
253.19534	14.1
255.21143	3.2
257.15540	2.4
258.09808	1.2
263.17966	3.4
281.19037	13.1
282.58987	1.3
286.05923	1.2
299.20053	100.0
300.20358	1.9
317.21289	5.0
399.25449	3.4
501.94635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
55.05304	0.7
55.05510	7.5
56.66985	1.0
57.07067	1.3
67.05517	6.4
69.07056	4.0
71.14806	2.5
73.43252	0.8
79.05492	2.7
79.49620	1.0
81.07052	8.0
82.71132	0.8
83.04983	8.7
83.08615	1.4
91.05479	8.9
93.07043	6.7
95.04971	1.1
95.08599	23.1
100.08216	0.9
101.05999	1.4
105.07023	17.4
107.08604	8.9
109.06494	1.2
109.10140	5.0
111.04462	6.7
117.06998	2.9
119.08578	49.1
121.06524	1.3
121.10153	6.8
123.11673	0.9
125.05923	1.2
129.06996	1.2
131.08554	7.0
133.10121	29.8
135.04381	1.0
135.08005	1.1
135.11668	3.3
142.07756	1.2
143.08543	3.2
144.09299	1.0
145.10123	12.6
147.11688	10.5
153.09171	0.9
154.07887	1.2
155.08565	2.9
156.09340	1.3
157.10146	5.7
158.10909	1.5
159.11694	14.8
160.12460	2.7
161.13266	8.4
163.03954	2.3
168.09360	1.1
169.10146	5.1
170.10907	1.1
171.11668	6.9
173.09576	1.9
173.13306	6.0
174.59982	0.9
175.14787	1.0
177.09065	1.0
179.10693	2.0
181.10086	1.8
182.10857	1.4
183.11670	6.8
185.11841	0.9
185.13214	5.1
187.11169	2.9
187.14812	2.3
189.16347	5.4
191.10667	1.0
195.11816	1.0
196.12410	1.1
197.13322	7.2
199.11200	1.5
199.14795	4.5
201.09067	1.0
201.12700	1.2
201.16382	4.9
203.10707	1.1
205.12236	2.3
211.11240	1.6
211.14777	3.0
213.12695	1.1
213.16270	1.7
215.10744	1.5
217.12192	2.5
219.13737	1.0
225.12752	2.4
225.16481	1.3
229.12209	3.5
231.13803	1.2
237.16307	1.5
239.14317	2.1
239.17952	2.9
243.13828	2.9
243.21002	1.5
253.15822	1.1
253.16782	1.1
253.19469	12.2
255.21138	2.5
257.15460	2.2
263.17920	2.8
271.20551	1.3
281.19012	10.4
299.20050	100.0
300.20349	1.3
321.33170	0.9
402.49582	1.0
516.38000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.7
67.05492	7.1
69.07062	3.3
69.85282	13.3
79.05486	6.6
81.07057	11.7
85.02908	5.7
91.05457	6.1
93.07035	8.5
95.04977	3.0
95.08605	9.0
97.02877	3.3
99.08097	100.0
105.07008	11.1
107.08587	14.0
109.10152	11.8
111.04445	5.0
119.08573	11.4
121.10153	10.7
123.11683	2.5
133.06467	2.6
133.10123	9.0
135.04391	6.2
135.11699	5.3
137.05876	2.3
139.07628	2.3
140.97841	2.4
145.10144	5.0
147.11690	10.1
149.09555	2.8
149.13310	2.2
151.11253	2.3
157.10133	3.6
163.03937	7.1
165.12814	3.1
175.11171	5.6
185.13358	2.8
193.12158	12.1
211.11310	4.8
211.13297	85.4
219.28961	1.9
301.21841	2.7
319.22592	11.0
423.79422	2.3
516.28491	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01861	5.2
55.05515	22.2
57.03434	10.3
57.07047	7.0
61.02929	5.0
66.65099	4.8
67.05511	76.1
69.03429	20.5
69.07069	17.4
70.22188	21.1
71.04992	11.1
71.08646	6.0
73.02921	5.8
75.77910	4.3
79.05494	58.1
81.03414	13.5
81.07064	100.0
83.04992	7.6
83.08630	12.7
84.04519	9.1
85.02921	10.0
85.06557	5.6
91.05492	45.2
93.07049	74.0
95.04983	10.9
95.08616	75.3
97.02873	5.8
97.06559	5.1
101.07173	8.0
105.07032	35.5
107.08600	42.7
109.06531	9.9
109.10149	40.7
117.07028	19.8
119.08598	39.6
121.10163	40.6
123.11724	15.8
129.06967	4.4
130.63560	4.4
131.08580	36.0
133.06503	6.1
133.10135	22.4
135.08090	5.8
135.11684	32.0
137.09683	8.9
137.13268	8.3
139.11174	4.8
143.08516	6.2
145.06493	5.9
145.10127	25.0
147.11679	22.2
149.13298	19.3
151.07591	4.8
157.10164	7.6
159.11662	22.9
161.13240	12.0
163.14842	15.1
170.87312	4.4
171.11667	10.2
173.13339	20.9
175.14874	6.8
177.12698	5.3
177.16371	4.9
179.14304	6.0
185.09610	4.5
187.14830	8.1
196.79671	4.2
199.14810	6.4
208.45554	4.7
243.21021	21.0
261.22159	54.0
285.22174	8.2
303.23105	6.9
315.23083	4.6
324.33780	4.7
327.23236	6.4
334.19424	5.2
335.25790	10.4
345.24237	8.0
351.23389	4.5
353.26767	30.1
358.16306	5.3
369.24405	17.2
387.25259	8.4
398.79306	5.2
405.26486	7.1
419.27701	6.7
461.29034	11.1
479.29724	6.1
497.31381	14.8
515.26074	22.2
515.36115	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
54.99063	1.4
55.01866	2.7
55.05509	17.4
57.03441	8.1
57.07069	4.4
61.02923	5.5
65.03931	2.4
67.05503	100.0
69.03414	6.7
69.07064	21.1
69.35157	17.0
71.01337	1.6
71.04983	5.3
71.08637	2.0
73.02917	4.4
75.04465	1.8
79.05489	53.4
81.03418	6.2
81.07053	97.9
83.04975	3.6
83.08603	10.3
85.02914	8.6
85.06527	3.5
91.03944	3.0
91.05474	34.4
91.06010	2.6
93.07042	65.4
95.04960	6.5
95.08603	75.3
97.02904	4.9
97.06518	5.7
97.10154	5.0
98.21528	2.7
99.04477	1.9
99.08083	4.8
105.07024	29.3
107.04987	1.9
107.08593	42.0
109.06533	4.9
109.10150	39.2
109.20815	1.6
111.08080	2.3
113.09655	2.0
117.07009	12.8
119.08571	22.1
121.10143	36.0
123.08081	3.3
123.11698	19.4
125.09679	2.1
127.03918	2.3
127.05369	1.8
129.06995	1.6
131.08563	28.5
133.10146	18.8
135.08057	3.1
135.11688	27.7
137.09618	3.2
137.13242	8.5
139.11165	2.1
142.08008	1.5
143.08629	3.1
145.10109	22.6
147.11652	15.5
149.09641	2.5
149.13251	22.1
157.10176	2.7
159.11691	18.8
161.13275	11.4
163.14798	15.9
165.12788	2.5
167.51770	1.4
169.10095	1.7
171.11702	2.9
173.13245	15.6
175.11148	2.4
175.14796	3.7
177.12747	2.7
177.16422	5.8
179.14311	3.8
185.13324	1.9
187.14798	10.5
189.12828	2.4
195.13858	2.0
201.16412	4.4
219.17361	2.1
233.22652	1.6
241.54915	1.6
243.21062	22.0
252.93924	1.9
259.20731	1.8
261.22125	77.9
279.23187	5.2
303.23273	3.0
335.25757	24.1
337.42300	2.2
345.24158	5.2
353.26874	20.5
369.24115	2.8
377.26556	1.9
387.25269	2.5
419.27972	3.6
443.27768	1.7
461.28711	2.7
479.29703	3.3
497.31052	9.7
504.72729	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	31.4
57.03431	8.9
57.07059	6.0
61.02898	7.9
67.05502	92.6
69.03410	13.0
69.07076	24.6
71.04993	7.3
72.18528	4.2
79.05489	47.8
81.03417	13.1
81.07054	100.0
82.87025	4.4
83.04964	9.1
83.08601	11.8
85.02896	11.7
90.46799	4.9
91.05479	50.9
93.06477	5.5
93.07037	68.3
93.96161	4.0
95.04958	8.9
95.08604	88.9
96.99522	4.6
97.02900	11.4
97.06519	8.6
97.10202	6.9
98.20727	10.6
99.08076	8.5
105.07023	36.6
107.08598	53.5
109.06515	13.0
109.10159	41.4
111.08086	5.4
117.07015	19.5
119.08585	37.7
121.10145	45.2
123.08029	10.7
123.11715	20.9
129.07048	7.6
131.08575	28.7
133.10103	26.3
135.04396	4.2
135.08061	9.2
135.11668	31.3
137.13162	5.9
143.08496	8.6
145.10109	23.1
147.11699	16.7
149.09602	5.3
149.13231	18.5
151.11200	6.1
156.03624	6.2
159.11681	24.6
161.09630	6.5
161.13280	16.4
163.03859	12.2
163.14806	15.4
171.11728	6.9
173.13246	20.3
177.12779	5.1
177.16362	7.3
187.14746	8.2
201.16350	6.1
243.21112	28.3
249.10817	5.6
261.22113	66.6
279.23227	6.3
295.05829	5.9
301.21387	9.3
303.23373	5.0
323.05457	5.9
335.25702	21.9
345.24155	12.5
353.26877	26.3
358.16403	21.0
358.66504	12.8
369.24146	13.8
405.26242	9.1
419.27927	9.5
443.27808	7.0
461.28864	8.3
479.29718	7.6
497.31186	21.4
515.25647	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	515.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05264	4.2
55.05512	68.3
64.19781	2.7
67.05494	11.0
69.07043	8.1
70.71198	3.4
70.71548	7.7
79.05492	15.5
81.07059	17.3
83.04980	100.0
83.08603	2.9
85.88873	2.4
91.05476	9.2
93.07064	20.4
95.08607	12.9
97.10157	3.0
104.95541	2.4
105.07030	9.1
107.04936	3.5
107.08589	16.0
109.10148	6.9
117.07008	4.9
117.97282	2.5
119.08592	9.5
121.06495	4.1
121.10118	8.6
123.11652	2.7
131.08572	10.0
133.10121	8.1
135.08086	13.1
135.11700	9.4
143.08614	5.4
145.10110	8.9
147.11714	3.7
149.09627	3.5
157.10077	4.2
159.11708	8.6
161.09694	3.4
161.13229	3.4
163.11147	5.7
169.10185	3.3
171.11707	4.1
171.69138	2.6
173.13261	3.1
183.11649	3.7
185.13292	5.1
187.14861	2.8
251.17908	2.6
279.17459	3.3
297.18460	9.3
315.19565	14.4
377.41995	2.5
399.85748	2.6
400.07739	2.6
442.16739	2.7
515.37604	29.2
515.79022	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32626	0.7
53.03944	3.2
55.01846	0.6
55.05513	54.2
57.07066	0.7
57.87187	0.8
59.67088	0.7
65.03947	1.0
67.05502	3.5
69.07071	2.0
70.94408	2.0
79.05520	3.7
81.07053	5.5
83.04984	100.0
91.05489	5.4
93.07047	6.8
95.04962	1.4
95.08595	5.9
101.06042	0.7
105.07035	7.3
107.04966	3.0
107.08602	6.9
109.06501	1.2
109.10156	5.3
111.04453	3.9
111.08054	1.0
117.07038	2.8
119.08598	7.7
119.90668	0.7
121.06529	2.8
121.10152	5.3
123.08054	1.2
123.11732	1.1
125.06010	0.8
125.82696	0.8
128.06247	1.0
129.07045	2.2
131.08568	4.5
133.06485	1.1
133.10127	6.1
135.08061	12.7
135.11740	1.3
137.09648	1.3
139.07512	1.1
143.08569	3.9
145.10118	7.3
147.08026	1.5
147.11694	2.0
149.09636	3.1
149.13235	1.1
151.07498	0.8
154.07780	0.8
155.08594	1.8
156.09348	1.1
157.10107	4.1
158.10957	1.2
159.08101	0.7
159.11642	4.8
161.09663	2.4
161.13339	1.5
163.11174	5.2
169.10127	3.1
171.11690	3.4
173.09671	1.9
173.13260	2.1
175.11227	1.5
175.14804	1.9
176.11986	1.3
177.47371	0.8
181.10159	1.7
183.11742	3.1
185.09677	1.6
185.13300	2.7
187.11214	0.7
187.14906	1.8
189.12796	0.9
195.11743	1.9
197.13278	2.0
199.11298	1.3
199.14912	2.8
201.12804	1.0
203.14394	0.8
205.12299	1.3
205.15970	1.3
209.13309	1.9
211.11200	1.4
211.14995	1.2
213.12724	0.8
217.12187	1.7
217.15919	0.8
225.16513	1.4
229.12114	1.3
229.78973	0.7
237.12733	1.7
237.16411	2.0
241.19537	1.5
251.18011	2.8
253.15817	0.9
255.17548	1.6
269.19043	3.9
273.18539	1.1
279.17471	2.5
285.18460	1.0
287.20105	2.5
297.18536	14.6
315.19574	27.2
333.20529	1.3
355.14789	0.8
415.24844	3.0
515.31427	5.3
515.38306	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.05511	63.6
67.05502	6.9
69.07062	4.1
71.59771	2.2
71.60137	1.9
79.05487	3.9
79.45926	1.4
81.07061	4.8
83.04981	100.0
91.05482	2.6
93.07059	4.9
95.08618	5.5
105.07034	5.7
107.04972	2.8
107.08591	6.5
109.10149	2.5
111.04440	1.8
119.08588	4.5
121.06484	2.8
121.10159	4.7
131.08585	5.1
133.10138	4.8
135.08035	11.3
143.08594	3.3
145.10143	5.5
147.08018	2.0
147.11723	3.7
149.09624	2.7
157.10146	3.5
159.11610	3.6
161.09692	2.4
163.11183	5.8
169.10104	2.1
171.11728	4.1
181.10100	2.0
185.13286	2.9
195.11803	2.0
199.11185	1.9
205.12260	2.0
209.13371	2.1
269.18967	2.2
291.09906	1.6
297.18454	7.9
303.79706	1.7
315.19537	19.4
415.24896	2.3
515.37952	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.9
60.26818	2.1
67.05516	15.5
69.03422	3.8
69.07066	4.2
70.29366	8.4
72.30441	2.0
79.05491	9.7
81.07054	15.4
83.04961	3.0
83.08611	3.1
91.05478	8.8
93.07040	14.5
95.04987	2.9
95.08592	13.0
105.07033	8.8
107.06378	2.2
107.08597	10.4
109.10178	7.3
117.07014	4.4
119.08595	7.7
121.10168	7.4
129.07018	2.4
131.08548	4.9
133.10100	5.1
135.11696	5.2
135.50775	2.1
135.81329	2.4
139.03812	2.8
145.10130	4.8
145.54555	1.9
147.11678	6.7
149.13171	2.0
159.11635	4.8
161.13263	3.5
171.11713	4.1
173.13245	4.5
177.06264	2.5
187.14774	2.8
243.21143	5.1
261.22217	10.5
339.19330	100.0
340.19644	2.8
353.26898	3.6
357.20346	10.3
358.16531	4.5
380.21954	19.5
427.20819	2.7
455.22522	4.3
473.23633	3.3
497.31003	2.5
515.25873	37.7
515.33881	2.5
515.37634	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	515.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49911	0.5
63.38837	0.5
65.03944	0.9
67.05490	0.8
69.42043	4.9
81.07065	0.8
85.02871	0.5
87.62730	0.5
89.03407	0.8
89.03918	10.7
91.05479	7.2
93.07027	1.1
95.04974	1.1
95.08643	1.3
97.02896	0.9
98.21473	1.1
98.71752	0.5
98.97583	1.8
105.07034	1.1
109.10137	0.9
111.04459	0.5
116.98596	0.8
117.03378	24.0
119.04935	11.6
119.08567	1.4
121.83475	0.6
125.06967	0.5
127.03944	0.6
131.08522	0.5
134.03624	1.9
135.04391	1.9
145.02841	52.2
145.10097	0.6
146.03178	0.7
147.04405	41.9
148.04834	0.5
149.05975	8.3
158.99644	0.9
163.03879	0.5
177.05466	100.0
178.05804	0.6
186.05536	2.0
219.01920	0.8
237.02777	0.6
238.23401	0.6
261.12430	0.7
299.20120	2.0
303.08652	1.8
317.21017	1.4
333.09637	2.1
363.06836	1.3
487.65802	0.6
497.14276	2.8
515.19165	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15083	0.5
56.09231	0.5
57.76873	0.5
65.03953	1.0
65.87140	0.5
67.05495	0.7
69.03435	0.6
69.07030	0.5
70.06550	0.6
70.70420	1.2
70.70808	1.0
78.04710	0.5
79.05495	0.5
81.07067	0.8
83.04955	0.6
85.02887	0.8
89.03911	9.4
91.05486	7.7
93.07021	0.9
95.04965	0.6
95.08595	1.0
98.97530	0.9
105.07011	0.6
107.08591	0.9
109.02213	0.5
109.10257	0.6
117.03377	22.3
119.04945	12.9
119.08587	1.2
121.74244	0.5
127.03925	0.5
127.64576	0.5
131.08546	0.5
134.03711	1.0
135.04395	1.8
145.02847	50.8
145.10066	0.6
146.03210	1.1
147.04414	44.1
149.05959	7.5
158.99626	0.6
163.03896	2.0
171.11728	0.5
173.09575	0.5
177.05472	100.0
178.05769	1.0
186.05486	2.4
217.18568	0.5
250.40799	0.6
261.12607	1.1
295.06210	0.9
299.19958	1.7
300.20395	0.8
303.08679	1.3
317.21207	1.5
318.21396	1.6
323.05377	1.2
333.09711	1.7
497.14517	3.4
515.19025	2.4
515.27216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10556	1.2
55.05510	3.9
57.07056	1.2
63.63886	1.3
64.08972	1.4
65.03934	2.1
67.05498	6.4
68.30161	1.5
69.03416	2.5
69.07063	4.1
70.79421	4.4
79.05502	6.3
81.03430	1.9
81.07072	9.5
82.91551	1.3
83.04970	1.8
83.08620	3.7
85.02894	2.2
87.14947	1.4
89.03928	9.6
89.36725	1.5
90.04243	3.3
91.05481	7.8
93.07024	10.1
95.04979	3.8
95.08607	16.2
97.02884	2.4
98.97598	4.2
100.02224	2.3
105.07024	15.0
105.98948	1.5
107.04996	2.6
107.08592	10.4
109.10183	10.2
110.10532	1.7
111.04456	8.2
116.98612	1.6
117.03369	14.2
117.07032	5.2
118.03738	6.1
119.08577	97.8
121.06503	1.3
121.10118	8.3
123.08040	2.4
123.11664	2.2
125.05994	1.8
127.03902	2.3
129.06999	2.5
131.08571	4.4
133.10120	15.2
135.04393	11.5
135.08047	4.3
135.11676	3.6
136.04765	5.2
137.05978	1.6
137.09612	2.7
139.07559	1.5
143.08588	3.0
145.02843	24.9
145.10133	8.3
146.03214	12.3
147.08018	2.3
147.11658	8.9
149.06033	4.2
149.09630	4.0
150.06306	1.6
155.08575	3.1
156.09348	2.5
157.10135	8.4
159.11691	12.1
160.12128	1.6
161.05884	1.5
161.13271	3.8
163.03909	51.2
164.04230	19.6
165.09157	2.0
167.10783	1.6
168.09319	1.8
169.10123	5.6
171.11719	5.4
173.09610	2.2
173.13229	4.0
175.11165	2.2
177.00607	1.8
177.05470	36.2
177.09048	1.6
178.05795	23.9
183.11697	4.9
185.13248	3.3
187.11215	2.1
187.14856	3.6
189.12717	3.7
189.16377	2.4
197.13286	5.7
199.14742	2.0
201.12822	2.1
201.16441	2.0
205.12390	1.6
210.14148	1.6
211.11101	1.9
211.14893	2.5
213.12701	2.2
215.10709	1.6
217.12305	8.6
225.12834	1.8
229.12241	2.1
231.13837	1.8
235.13246	2.5
237.16350	2.2
239.17947	3.5
253.19466	6.5
257.15485	2.1
257.18829	1.7
271.20538	2.0
273.03940	3.2
281.19025	8.0
287.19998	1.5
295.05914	2.0
299.20056	33.8
315.19638	3.2
316.19910	3.3
317.21106	100.0
318.21408	1.9
319.08014	3.2
320.08340	8.0
323.05475	4.1
334.10022	5.2
335.21829	1.4
373.15421	2.2
412.81235	1.4
483.73987	1.5
514.14264	4.2
541.55554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67343	1.6
52.96453	1.2
55.01856	1.7
55.05495	3.4
61.02927	1.9
64.46914	1.4
65.03928	1.6
67.05502	27.3
69.03427	9.4
69.07058	4.6
71.04984	3.1
71.57967	3.1
71.58340	1.6
73.02898	2.3
79.05473	7.2
81.03392	2.5
81.07056	15.1
81.23083	1.4
83.04987	2.0
85.02908	13.2
85.06533	2.8
91.05472	5.4
93.07049	10.5
95.04966	10.6
95.08609	14.2
97.02878	6.3
97.06518	5.7
105.07040	14.8
107.08578	20.6
109.06504	4.7
109.10151	100.0
111.08041	1.6
113.05991	10.4
117.06992	2.0
119.08574	11.4
120.64032	1.6
121.10143	30.2
123.08041	3.0
123.11709	4.6
123.47537	1.5
125.05959	3.6
127.03893	6.2
131.08588	4.1
133.06488	1.7
133.10117	7.8
135.08073	6.4
135.11691	11.6
136.35527	1.7
143.08496	2.4
145.10098	17.1
147.08075	2.0
147.11693	13.9
149.09636	7.4
151.11179	2.7
155.08496	1.7
157.10109	6.1
158.99603	1.7
159.11684	6.2
161.09589	2.0
161.13281	5.6
163.03880	1.6
163.11186	33.9
167.10625	2.2
169.10199	2.5
171.11746	2.5
173.09691	7.1
173.13235	4.6
175.11244	3.2
175.14818	3.3
181.12160	2.5
183.11703	1.7
185.13306	3.2
187.11188	2.8
187.14900	3.5
189.01009	2.2
191.10658	23.4
193.12239	3.4
209.11713	18.5
225.51260	1.5
227.12766	62.0
229.15945	2.0
229.19629	3.1
233.15289	2.7
253.19493	3.9
254.05339	1.6
257.19131	2.5
263.05954	2.8
271.20569	12.1
275.20020	2.9
281.19092	4.7
289.21594	33.8
299.20044	15.4
300.04086	1.6
317.21115	29.4
335.22205	6.4
361.30292	1.4
370.39795	1.6
427.65646	1.7
471.43878	1.7
493.79083	1.9
514.22607	5.3
514.50641	1.9
514.72736	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.05498	2.6
57.07079	0.8
67.05508	4.8
69.03413	2.3
69.07066	3.3
70.09202	1.6
70.09622	1.6
71.04987	0.6
79.05501	3.9
81.03408	0.6
81.07059	8.7
81.28474	0.6
83.04987	0.9
83.08614	2.0
85.02898	3.6
85.06557	1.0
91.05477	9.7
93.07045	9.5
95.04977	1.0
95.08608	13.5
97.02880	1.8
97.06551	1.1
98.21401	0.9
99.08130	0.9
105.07034	15.0
107.08588	10.3
109.06495	1.4
109.10167	6.1
111.04435	4.8
111.08006	0.8
115.05392	0.6
117.06995	3.2
119.08583	51.1
121.10131	6.1
123.08057	1.8
123.11697	1.7
125.05981	1.6
127.03914	1.0
129.07013	1.6
131.08578	5.8
133.10129	17.3
135.08064	2.8
135.11682	2.5
137.06017	0.7
137.09593	2.1
137.13264	0.8
139.07497	1.0
141.07062	1.4
142.07776	1.3
143.08563	3.7
144.09280	0.6
145.04922	0.7
145.10118	9.4
147.08047	0.6
147.11694	9.3
149.09558	0.8
149.13162	1.0
151.07549	1.0
153.09123	1.0
155.08591	2.0
156.09363	2.1
157.10135	5.2
159.11690	10.3
160.12474	0.9
161.09602	1.6
161.13286	4.7
163.06078	1.0
163.07578	0.6
163.11082	0.7
165.09074	0.8
167.08530	0.7
167.10649	0.6
169.10133	3.4
171.11644	4.3
173.09637	1.1
173.13255	4.7
175.11209	0.8
175.14821	0.9
177.09198	1.0
179.10620	0.8
181.10135	1.1
181.12289	1.1
182.10886	1.0
183.11676	4.6
185.09566	1.1
185.13274	2.9
187.11197	3.2
187.14824	2.0
188.15544	0.7
189.09143	0.8
189.12695	0.8
189.16385	1.9
191.10674	1.9
193.12115	0.8
195.11705	1.3
197.09601	0.7
197.13283	4.8
199.11208	2.0
199.14749	2.9
201.09164	0.6
201.16396	4.9
203.10666	0.9
205.12248	1.9
211.11229	1.6
211.14830	2.3
213.12752	1.0
213.16324	0.6
215.10654	1.4
215.14308	0.6
217.12247	2.5
219.13870	0.8
221.13261	1.0
225.12811	1.3
225.16347	0.9
227.18042	0.9
229.12241	3.8
231.13878	2.0
235.13260	1.3
237.16359	1.1
239.14326	1.8
239.17966	3.3
243.13820	3.3
247.13319	0.8
253.19511	6.3
255.20964	0.9
257.15427	1.8
263.17938	1.7
271.20441	1.0
281.18964	6.6
299.20071	49.4
317.21121	100.0
318.21536	1.5
335.22174	2.3
358.23813	2.2
433.93399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05353	1.5
51.09195	1.6
55.05511	3.5
59.51751	1.6
60.08184	3.0
60.35038	1.4
67.05509	5.0
69.03421	4.6
69.07074	5.7
70.06586	2.1
71.04985	1.9
71.59642	2.6
72.08144	4.1
79.05493	4.6
81.03432	2.0
81.07072	8.0
83.04985	1.7
85.02915	10.6
86.09735	1.8
89.03924	3.8
91.05501	15.6
93.07040	9.2
95.04977	3.5
95.08609	14.3
97.02885	6.8
97.06508	3.6
98.97607	2.4
99.04434	2.0
99.08089	23.5
103.05453	2.9
105.07030	16.0
107.08601	18.2
109.02885	2.0
109.06512	1.9
109.10177	7.3
110.46855	1.6
111.04461	6.8
115.03972	1.8
117.03405	5.4
117.07027	3.2
118.03692	1.8
119.04916	3.4
119.08580	46.3
120.08122	8.1
121.08450	4.4
121.10151	10.0
123.08056	2.3
123.11688	3.2
127.03932	4.0
131.04909	4.0
131.08585	4.6
133.05019	1.7
133.10149	12.3
135.04428	3.9
135.08089	2.3
135.11697	1.7
136.07579	3.3
137.06036	3.8
139.07510	2.6
143.08537	3.0
145.02838	13.7
145.04904	3.5
145.10138	6.3
146.03180	5.3
147.04453	9.0
147.08032	1.9
147.11717	9.1
148.04788	2.9
149.06007	1.8
149.09654	2.4
155.08572	1.8
157.10144	4.7
159.11722	7.1
161.09657	1.9
161.13286	2.4
163.03925	21.5
163.11150	2.1
164.04198	9.2
165.12819	1.9
165.70399	1.7
169.10094	2.3
171.11705	4.6
173.13176	3.8
175.11186	3.6
177.05460	16.3
178.05823	13.9
179.07030	1.8
180.59367	1.7
183.11688	3.7
185.13277	1.7
187.11197	3.2
187.14911	2.8
193.12274	4.3
201.16362	1.9
209.11755	2.2
211.11488	1.8
211.13205	8.0
217.12389	3.1
231.13725	3.5
235.13344	2.5
239.17867	2.5
253.19501	2.6
259.09732	2.5
264.69385	1.8
281.18979	5.0
299.20068	28.7
301.21777	3.1
317.21127	100.0
318.21881	1.8
320.08685	3.0
333.10080	2.0
334.10101	4.0
335.22217	3.7
469.44867	1.8
514.13940	3.7
514.22424	4.1
515.14630	2.6
527.41089	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71291	0.5
53.03939	1.4
55.01866	1.6
55.05513	0.6
56.06208	0.5
57.03441	9.0
58.06604	4.7
59.07375	1.7
60.08166	39.9
61.02916	1.5
67.05497	0.8
69.03431	18.1
70.73717	1.7
71.01364	1.1
71.04987	2.1
73.02915	2.1
77.67049	0.4
79.05490	1.4
81.03419	14.1
81.07039	1.2
83.01326	0.8
83.04991	0.7
83.08640	0.5
85.02908	100.0
86.09719	0.8
87.04474	1.2
91.03951	1.0
91.05473	1.6
93.07066	0.9
95.04981	1.8
97.02896	22.5
97.06528	0.5
99.00800	0.5
99.04450	5.7
101.02409	0.8
102.09186	17.2
103.03960	4.6
103.05406	0.7
105.07017	1.2
107.04957	1.4
109.02145	0.6
109.02887	11.3
111.04451	1.0
113.02383	0.6
115.03950	1.0
117.03423	0.8
119.04958	0.8
121.06525	1.1
123.04468	0.8
125.02256	0.6
125.05957	0.6
127.03922	20.4
131.04941	0.9
133.06523	1.1
135.04399	0.7
137.05984	2.5
139.03902	0.7
144.10201	5.2
145.04962	12.9
146.99785	0.5
147.04448	1.8
149.06006	0.7
150.06747	1.0
153.05533	0.5
157.05006	0.8
161.05952	0.8
161.09575	0.5
163.03908	3.0
165.05533	1.1
165.09135	2.1
172.12152	0.5
175.06192	0.5
177.05460	1.0
178.08089	0.4
181.04942	1.2
183.06554	0.8
193.04985	1.0
199.15077	0.5
211.06056	1.1
229.07062	8.9
233.06151	0.5
247.08206	2.1
306.15408	2.7
350.14664	2.9
373.13962	1.6
384.97864	0.5
452.22812	3.3
470.23907	39.6
471.24313	0.8
514.22900	40.3
515.15973	0.8
515.23370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2148
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
53.03934	0.8
55.01870	0.7
57.03429	1.1
61.02910	1.4
67.05489	2.0
68.05014	0.7
69.03131	0.6
69.03434	5.8
70.06595	3.1
71.04990	1.0
71.57813	0.8
72.08135	1.7
73.02905	1.6
78.11369	0.4
79.69144	0.4
81.03410	1.8
84.08143	1.0
85.02426	0.8
85.02905	10.6
85.06505	0.4
86.09705	1.0
87.04460	1.4
91.05481	1.0
93.80807	0.4
95.04938	0.5
97.02888	4.8
99.04430	0.7
109.02853	1.4
114.05484	0.5
115.03905	0.6
119.03528	1.6
119.04917	1.2
120.08098	0.6
123.04449	0.9
127.03934	3.1
135.06671	1.3
136.06183	100.0
137.04581	1.4
145.02829	0.4
145.04974	1.5
146.04555	0.5
147.04416	3.7
148.06154	4.2
158.07047	0.5
159.06654	3.0
163.03912	1.6
173.02330	0.6
173.08260	1.0
175.09827	1.3
178.07234	0.5
185.08220	12.6
187.08563	0.8
191.86267	0.4
193.06445	0.7
202.09204	0.5
202.10869	28.1
220.11928	69.4
221.06044	1.0
221.12314	0.7
224.40614	0.4
239.07120	0.6
249.05511	1.7
264.55859	0.5
277.04999	1.0
294.04721	0.5
295.05923	3.1
322.04340	0.8
323.05533	5.3
323.09125	0.9
334.15103	0.5
339.04953	0.9
340.05408	3.2
352.16168	5.9
380.89679	0.6
382.17206	68.1
383.17511	1.2
514.21472	37.9
515.21472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12140	2.7
53.03933	3.5
55.05516	25.6
57.07080	17.2
60.61034	2.8
67.05501	29.2
69.07076	40.5
70.06591	3.8
71.05016	3.4
71.08635	7.3
71.59970	6.2
79.05493	15.4
81.07056	58.8
83.04959	7.0
83.08626	29.2
85.02885	6.2
85.36016	3.2
88.07629	4.7
91.05468	9.5
93.07024	12.9
95.01315	8.9
95.04967	5.4
95.08611	63.8
97.06518	4.5
97.10185	16.4
105.07020	11.4
107.08603	14.3
109.10158	32.9
111.04454	10.5
111.11726	7.2
119.08578	24.0
121.10140	13.5
123.04417	12.6
123.11690	12.4
127.95894	3.2
131.08580	6.3
133.10141	23.7
135.11699	6.2
137.06003	3.6
137.13261	3.9
145.10118	6.2
147.08101	4.6
147.11740	17.8
149.13248	8.0
151.07607	3.4
159.11697	3.8
161.13248	12.0
165.09119	7.5
175.14876	7.3
179.10675	5.7
189.16270	5.8
190.22984	2.9
203.17812	3.4
207.13882	4.2
221.15411	3.7
223.76958	3.3
235.16974	3.3
249.18251	3.7
256.26340	6.6
257.26648	5.7
283.26434	7.5
284.26767	8.1
285.58377	3.2
305.24582	4.1
333.24222	34.2
341.30472	5.8
347.25830	33.5
349.27383	90.7
363.28958	67.3
367.28247	3.0
379.66010	3.3
391.35590	4.0
433.40186	6.4
441.37265	6.8
459.38376	100.0
477.39240	10.4
513.50787	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3579
Annotation	11-OXOURSOLIC ACID ACETATE
Peak:m/z	Relative Intensity
53.03960	0.5
55.05511	2.1
56.57599	0.3
57.07066	1.1
58.01661	0.4
67.05503	2.6
69.03460	0.4
69.07068	3.3
70.04328	1.3
71.04987	0.6
79.05496	1.5
80.72706	0.4
81.07056	6.0
83.04976	3.3
83.08619	1.4
87.04462	0.9
88.07636	0.6
89.06033	1.3
89.90783	0.4
91.05476	2.5
93.07041	4.6
95.04975	1.2
95.08608	8.4
97.06529	1.1
97.10150	0.5
105.07036	8.7
107.08592	8.1
109.06519	1.1
109.10163	4.5
111.08118	0.7
117.07033	0.8
117.07784	0.4
119.08583	12.6
121.06508	1.3
121.10143	6.5
123.08080	0.7
123.11678	2.5
125.09593	0.6
129.06992	0.5
129.37479	0.3
131.08548	2.9
133.08592	0.6
133.10126	8.1
135.08052	1.0
135.11681	6.9
137.13275	1.3
139.11159	0.4
141.07001	0.5
142.07820	0.3
143.08574	2.0
145.06441	0.5
145.10141	3.4
147.08028	0.7
147.11688	4.4
149.09610	1.6
149.13306	2.2
152.70752	0.3
153.09081	0.6
155.08566	1.5
157.10117	3.3
159.08011	0.5
159.11713	2.6
161.09630	3.1
161.13237	4.0
163.11185	0.6
163.14825	1.5
164.33395	0.3
165.09149	0.4
165.57867	0.4
169.10135	1.6
171.11647	2.1
173.13257	3.4
175.11194	1.5
175.14830	8.2
175.16286	0.6
177.16383	2.3
179.32465	0.3
182.10918	0.5
183.11670	2.6
185.13263	1.2
187.11165	0.9
187.14830	3.2
189.12808	1.0
189.16376	19.7
191.14363	0.4
191.17976	1.4
195.11685	0.6
197.13303	3.2
199.14850	4.0
201.12793	0.8
201.16437	1.7
207.17482	1.1
209.13287	0.6
211.11580	0.4
211.14828	1.5
213.12830	0.3
213.16444	1.8
215.14383	2.6
215.17972	1.3
217.15874	7.3
217.19202	0.4
223.14813	0.5
227.17973	2.6
229.15991	1.0
229.19504	1.3
233.19115	0.7
235.16869	3.8
239.18018	0.5
241.19604	1.2
243.17383	0.4
243.21112	1.2
245.19026	1.2
253.19585	3.8
257.19083	1.0
261.14957	0.8
263.16324	0.5
267.21222	0.5
269.22552	0.5
271.20590	6.4
273.18597	0.5
277.17996	2.0
284.26550	0.4
291.21130	0.4
309.22491	0.4
317.21060	1.8
327.20233	0.6
328.20300	0.4
389.32379	0.7
407.33215	2.6
435.32639	1.7
453.33655	1.0
467.35254	4.1
513.35773	100.0
513.50616	2.5
514.36029	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	513.3058
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.01874	1.2
55.05507	6.7
57.03426	3.5
57.07060	1.4
61.02674	1.1
61.02929	9.9
65.03902	1.3
66.29996	1.0
67.05173	1.5
67.05508	20.6
69.03426	3.7
69.07068	6.8
69.50059	9.5
71.04966	2.5
72.79509	1.1
73.02909	4.2
79.05077	1.4
79.05499	19.7
81.03428	3.1
81.07056	22.7
83.04987	2.6
83.08620	3.6
85.02901	8.0
85.06555	1.5
91.03966	4.2
91.05476	21.4
93.06467	1.9
93.07043	29.6
94.07383	1.1
95.04968	3.8
95.08607	17.5
95.53624	1.1
97.02891	7.0
97.06474	1.6
97.10139	1.6
99.04459	1.2
99.08129	2.2
103.05482	1.0
105.07023	21.0
105.07681	1.8
107.04947	1.9
107.08589	21.0
107.81747	1.0
109.02904	1.3
109.06547	3.1
109.10156	8.4
111.08044	1.6
115.05461	1.1
117.03335	1.9
117.07006	5.6
119.07783	2.1
119.08578	23.2
121.10135	18.4
123.11724	3.3
125.09685	1.3
127.03931	3.3
129.05521	1.3
129.06984	4.3
131.08562	13.7
131.42209	1.2
133.10117	21.4
135.07983	1.4
135.11679	17.4
137.09557	1.2
143.08528	5.9
145.02834	1.6
145.10121	12.6
147.11696	19.4
149.09622	2.2
149.13245	11.0
157.10118	6.0
159.11671	10.9
161.13248	15.4
163.03888	5.0
163.11130	3.1
163.14856	4.4
169.10133	2.1
171.11694	7.2
173.13217	8.9
175.11279	1.2
175.14824	9.7
177.05453	3.1
181.10042	1.2
183.11685	1.2
185.13295	6.7
187.14822	3.4
189.12706	2.2
189.16432	2.1
191.14333	1.2
193.12265	1.4
195.11728	1.6
197.13397	1.5
199.14825	4.7
201.16452	2.5
213.16339	3.2
215.18050	1.7
217.19437	1.8
231.17456	2.8
231.21054	3.6
235.90701	1.1
241.19493	14.1
259.20566	36.9
261.00613	1.3
277.21725	5.7
301.21414	1.9
307.20248	1.1
333.24207	6.5
349.23669	4.3
351.25299	100.0
352.25613	2.4
363.25204	2.8
367.22495	2.6
375.25229	2.7
385.23526	1.7
389.24487	1.8
407.33197	1.3
429.26254	1.8
441.26154	4.8
459.27396	3.5
477.28534	4.0
495.29333	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.05501	9.6
57.03424	3.2
57.07064	3.8
61.02911	11.7
67.05190	3.7
67.05505	24.3
69.03415	8.7
69.07056	10.6
71.04995	3.4
71.59830	2.5
71.60231	3.0
73.02918	6.0
79.05501	21.2
81.03421	9.0
81.07059	29.0
83.08590	4.7
85.02910	15.3
91.03976	5.3
91.05492	29.1
93.07042	38.7
95.04968	5.0
95.08622	17.7
97.02885	8.3
97.06530	8.2
105.07038	31.4
107.08598	24.7
109.10147	7.1
111.08116	3.8
117.06974	5.8
118.54452	3.0
119.08598	28.4
121.06494	5.1
121.10144	21.1
123.08114	3.9
127.03933	7.4
129.07004	9.8
131.08611	14.7
133.10136	29.1
135.08072	3.4
135.11713	17.0
143.07249	3.0
143.08482	7.1
145.02901	2.9
145.05084	3.4
145.10115	18.7
147.04396	4.5
147.11678	24.9
149.13275	10.4
153.01872	8.0
157.10123	8.0
159.11667	16.6
161.09604	3.1
161.13306	18.2
163.14833	6.1
169.10181	3.8
171.11676	10.5
173.13280	10.1
175.14807	8.2
179.48666	2.7
183.11740	4.8
185.13199	7.6
187.14772	3.3
199.11122	3.8
199.14822	5.8
201.16225	3.5
211.14740	4.8
213.16405	4.2
215.17821	3.5
241.19463	19.9
254.05276	3.3
259.20581	39.8
333.59366	3.0
335.28439	3.6
351.25333	100.0
441.26495	5.2
441.50470	3.0
477.28571	5.4
495.29535	7.6
495.53552	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.05511	6.0
57.03435	6.1
61.02932	11.2
65.03935	1.9
67.05509	20.7
69.03425	5.0
69.07056	5.1
73.02915	4.9
74.02685	1.9
79.05495	22.1
80.08077	1.9
81.03423	4.2
81.07059	22.4
83.05005	3.6
83.08613	5.8
85.02913	13.0
91.03953	7.2
91.05476	24.8
93.07053	38.6
95.04962	8.2
95.08606	21.5
97.02894	10.3
97.06492	2.9
105.07037	30.6
107.08603	22.7
109.06554	2.9
109.10163	7.2
115.05450	2.1
117.07035	5.1
118.05804	1.8
118.61328	2.0
119.07794	2.6
119.08598	27.7
120.08904	2.5
120.25961	2.3
121.06552	3.7
121.10143	15.4
125.09676	2.1
127.03925	7.4
129.07024	7.3
131.08583	12.9
133.06540	2.7
133.10135	31.8
135.08057	2.8
135.11682	19.0
143.08562	6.6
145.10138	15.7
147.04344	2.1
147.11690	25.0
149.13278	9.5
151.07545	2.8
155.08545	4.4
157.10132	9.6
159.11691	15.0
161.13231	18.4
163.11168	4.6
163.14859	3.5
169.10199	2.7
171.11716	9.2
173.13327	8.1
175.14900	10.0
185.13300	9.2
187.14835	2.2
199.90370	2.4
213.16531	2.5
224.60361	2.2
225.11227	2.4
231.17555	2.6
231.21027	3.9
241.19524	18.2
259.20581	51.2
301.21469	2.9
349.23776	6.3
351.25311	100.0
359.12885	2.2
367.22665	4.0
441.26355	5.2
459.27402	4.3
477.28342	5.2
495.29465	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
55.05511	5.9
57.03435	5.2
57.07076	2.8
60.12146	1.4
61.02922	11.5
67.05508	18.8
69.03435	3.4
69.07068	6.0
71.61727	3.2
73.02927	4.7
79.05497	21.7
81.03447	2.0
81.07057	23.2
83.04990	2.6
83.08617	5.0
85.02897	10.7
87.04436	1.6
91.05489	22.7
93.07044	34.7
95.05000	3.6
95.08608	16.2
97.02336	1.6
97.02895	10.5
102.82607	1.7
102.95974	1.6
105.07037	24.6
107.08595	19.2
109.10168	7.7
117.07004	7.7
119.08582	24.1
120.17461	1.5
121.10161	16.8
123.08076	2.4
127.03898	2.2
129.07002	3.7
130.07784	1.9
131.08571	10.6
133.10130	19.7
135.08028	2.3
135.11685	16.0
143.08525	4.5
145.10129	13.3
147.11693	20.9
149.09625	2.1
149.13297	10.8
157.10149	6.2
159.11719	11.1
161.13249	14.4
163.11238	1.8
163.14835	3.5
167.08466	1.7
171.11684	6.8
173.13269	7.2
175.14893	10.1
177.12782	2.0
179.14247	2.0
185.13246	6.3
185.16969	1.9
199.14737	2.3
201.16306	2.3
213.16373	1.9
231.21028	3.3
241.19511	15.2
259.20584	35.9
277.21637	5.3
333.24298	4.8
348.14246	1.9
351.25308	100.0
363.25247	2.5
375.25418	2.0
441.26297	3.9
449.26746	1.9
459.27579	1.8
495.29913	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3056
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03928	2.5
53.29425	1.3
53.49663	1.3
54.41424	1.4
54.57268	1.4
55.01876	1.5
55.05496	6.3
57.03418	5.3
61.02924	9.4
65.03943	1.4
67.05506	17.6
69.03419	4.1
69.07056	6.4
71.04988	2.4
71.24696	2.6
73.02908	5.8
73.54185	1.7
74.86252	1.5
79.05497	21.6
81.03404	1.6
81.07056	23.5
83.08624	4.5
85.02906	8.6
85.06508	1.6
91.03939	6.1
91.04480	1.5
91.05476	20.4
93.07047	33.6
95.04995	3.6
95.08616	16.6
97.02885	7.2
97.06534	1.8
97.10127	1.8
99.08115	3.0
105.07029	25.7
107.08591	22.7
109.10151	9.4
111.04479	1.8
117.07017	5.5
119.08594	22.7
121.10135	17.8
123.11722	3.0
127.03893	2.9
129.06992	4.6
131.08546	11.4
133.10124	21.3
135.11697	19.2
136.79288	1.4
143.08551	5.4
145.04892	1.4
145.10110	10.1
147.11690	21.0
149.09625	2.8
149.13251	8.9
157.10118	4.7
158.56998	1.5
159.11678	9.7
161.09665	2.8
161.13208	12.3
163.03911	2.9
163.11243	2.2
163.14789	4.6
171.11687	6.5
173.13240	6.2
175.14806	6.9
177.12704	1.8
185.13284	5.8
199.14868	3.2
213.16451	3.2
231.20992	3.4
241.19522	14.2
259.20563	35.9
277.21576	5.3
333.24268	6.0
341.37744	1.6
344.85132	1.6
349.23654	3.1
351.25290	100.0
367.22568	2.2
441.26230	4.0
471.13702	1.5
477.28522	2.8
495.29309	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	513.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60317	1.3
53.03942	3.7
55.01861	5.3
55.05500	6.7
57.03428	5.4
57.07069	1.9
59.04990	6.7
61.02895	3.6
64.91167	1.5
65.03949	2.6
67.05508	8.3
69.03080	2.5
69.03433	43.2
69.07063	3.1
70.82158	4.9
71.04987	4.4
73.02914	3.0
79.05505	8.7
81.03416	9.8
81.07056	17.0
83.04985	15.7
85.02912	14.4
87.04463	4.2
91.05476	15.1
93.07047	16.4
95.04964	6.0
95.08595	8.3
97.02896	15.3
97.06544	3.0
99.04456	5.1
103.03946	1.7
105.07035	23.8
107.04955	2.1
107.08601	16.6
109.02899	2.9
109.06530	12.3
109.10154	4.0
111.04446	38.8
111.08084	5.4
115.03934	4.4
117.07042	4.4
119.04939	2.2
119.08594	40.1
119.09450	2.0
121.06505	4.2
121.10143	15.0
123.04417	3.8
123.08068	10.1
123.11694	3.4
125.09637	61.8
125.10561	3.2
127.03918	4.1
127.07565	1.7
129.05478	26.9
129.06989	3.3
130.07677	1.6
131.08578	7.6
133.06438	1.8
133.10141	34.7
135.08023	4.2
135.11693	3.7
137.05974	10.8
137.09607	5.9
142.07811	2.4
143.08528	9.7
145.06494	1.7
145.10147	10.9
147.04437	5.1
147.06528	8.5
147.08044	22.9
147.11665	2.2
149.09557	1.6
149.56984	1.4
151.07561	4.4
151.11171	5.2
155.07040	1.7
155.08559	3.0
157.06529	1.7
157.10155	7.5
158.10481	3.1
159.11719	9.7
161.06003	2.1
161.09636	25.1
163.11264	2.8
165.07703	2.5
165.09106	26.2
169.10101	2.6
171.08073	2.4
172.12086	2.0
173.13245	2.1
175.07602	3.1
175.11230	1.9
179.10678	19.3
182.10713	1.7
185.13219	3.1
187.11183	3.0
189.09109	18.5
195.11687	1.7
197.08029	8.5
197.82680	1.6
199.14763	3.2
201.16411	3.7
201.79544	1.5
203.07004	3.3
207.10196	30.9
209.13258	2.4
211.14845	2.8
213.09213	1.9
214.16747	2.2
217.04906	4.0
221.08128	8.6
225.11215	100.0
227.14325	2.8
229.15677	1.7
235.05984	1.9
238.16656	2.6
239.09184	9.2
245.15269	3.4
247.17027	2.3
255.17502	1.7
256.17776	3.8
263.09036	3.3
271.16678	2.0
285.18427	1.7
287.09174	3.7
298.18744	2.8
305.10233	5.7
313.17883	1.9
315.19397	9.3
316.19901	26.1
319.18951	3.1
323.14642	5.6
331.19077	9.0
337.20193	1.7
349.20071	14.6
353.16031	16.9
371.17279	7.5
477.25024	22.2
492.20563	2.1
495.26175	23.6
513.19269	46.8
513.26898	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	513.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
54.06471	0.9
55.01854	2.4
55.05523	4.7
57.03435	1.1
57.07067	1.8
61.02927	1.1
65.03918	1.7
67.05502	12.5
69.03428	5.3
69.07063	5.4
70.06583	1.6
70.66008	1.0
71.04996	1.3
71.57101	1.1
72.08167	1.2
79.05486	11.6
80.05423	0.9
81.03402	4.1
81.07063	15.8
83.04974	3.8
83.08600	2.9
85.02898	9.0
85.06525	2.4
91.05477	23.2
93.07040	33.3
95.04985	5.2
95.08047	1.7
95.08609	22.8
97.02888	7.1
97.06516	2.8
103.05453	1.3
105.07029	28.3
107.04951	4.7
107.08587	33.6
109.02895	1.7
109.06532	5.9
109.10152	11.8
111.04430	15.8
111.08067	5.0
113.09650	1.1
115.05447	2.6
117.07029	8.9
119.08581	38.2
121.02817	1.2
121.06507	6.4
121.10142	17.8
123.08051	4.8
123.11704	3.0
124.93745	3.7
125.05972	2.9
127.03908	2.8
128.06238	2.5
129.07011	5.8
130.07773	2.0
131.08563	25.1
132.09322	0.9
133.06496	2.6
133.10132	20.8
135.04414	1.1
135.08051	52.9
135.11661	6.4
137.05920	1.1
137.09586	2.5
137.13277	1.4
139.07538	2.8
141.06946	1.9
142.07756	2.8
142.94771	1.3
143.08556	15.2
144.09323	4.7
145.02855	2.6
145.04974	1.3
145.06485	1.7
145.10120	37.4
147.08034	4.8
147.11678	10.5
149.05933	0.8
149.09619	12.4
149.13255	1.1
151.07498	1.6
153.09106	4.9
153.12741	1.1
155.08569	6.2
156.09286	4.7
157.10130	23.0
158.10872	1.6
159.08052	2.0
159.11691	32.9
161.05939	0.9
161.09573	4.8
161.13243	4.9
163.03937	5.7
163.11176	3.8
165.06979	1.7
165.09091	7.7
165.38724	1.0
167.08591	3.0
167.10712	1.4
168.09344	1.4
169.10155	10.8
170.10930	3.1
171.08049	1.7
171.11678	20.5
173.09605	5.3
173.13280	10.9
175.07436	1.1
175.11223	2.6
175.14853	1.9
177.05460	2.6
177.09146	2.1
177.12718	1.6
179.08571	2.8
179.10663	2.9
180.09348	2.2
181.10123	9.1
181.12105	4.6
182.10913	3.1
183.11685	8.5
184.12451	1.6
185.09598	4.0
185.13226	11.7
186.14171	1.3
187.11119	6.4
187.14824	7.9
189.09070	3.7
189.16360	2.1
191.10689	4.2
193.10152	2.7
194.10921	2.5
195.11690	15.1
196.12427	1.7
197.09772	2.1
197.13231	10.9
199.11172	8.4
199.14796	17.6
200.15573	2.0
201.09096	2.8
201.12743	3.6
203.10683	4.5
203.14333	2.2
205.12270	3.5
205.15858	2.1
207.11722	1.8
208.12425	1.4
209.09795	1.9
209.11647	3.6
209.13368	10.4
211.11226	2.9
211.14857	6.6
213.08939	0.9
213.12708	3.9
215.10667	2.7
215.14212	1.2
217.12306	6.7
217.15651	1.1
219.09929	1.5
219.11845	1.5
219.13776	1.4
221.13350	1.4
222.10387	1.1
223.11263	5.1
223.14877	2.9
225.12686	1.3
225.16408	2.1
227.10663	3.9
227.14288	1.2
227.17921	2.7
229.12236	2.8
231.13731	3.1
235.14876	1.6
236.15627	2.2
237.12689	7.3
237.16324	5.5
239.14207	1.1
239.17981	1.6
241.12302	6.8
241.19513	3.8
246.14163	1.0
251.14264	1.6
251.15089	1.3
251.17969	16.7
253.15770	1.4
253.19484	2.3
255.13768	5.9
255.17424	3.4
257.15323	1.2
261.16394	2.5
267.17426	1.4
269.15863	1.8
269.19006	11.0
271.16953	3.0
273.18399	1.7
279.07358	8.4
279.17435	15.9
285.18451	2.9
287.20050	11.0
293.04474	1.1
297.18488	75.7
315.19550	100.0
321.04089	1.0
333.20593	53.6
339.05008	2.5
351.21655	64.1
374.23096	1.6
444.18173	0.9
513.17963	3.2
513.27441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92407	1.8
53.03938	3.9
55.01875	4.4
55.05502	5.0
57.03429	5.5
57.07077	4.4
61.02927	2.8
65.03941	3.5
67.05505	17.0
69.03425	17.9
69.07080	9.5
71.59369	2.6
71.88053	1.8
79.05484	19.7
81.03415	7.4
81.07060	31.3
83.04978	5.0
83.08618	2.5
85.02908	27.3
85.06495	2.7
87.04473	9.1
91.05484	29.9
93.07040	36.2
95.04972	7.0
95.08611	27.0
97.02916	17.8
97.06514	3.5
99.08092	2.2
105.07039	40.9
107.04984	3.5
107.08599	48.9
109.06517	5.9
109.10161	20.1
109.46582	2.3
111.04449	16.1
111.08067	3.3
115.03921	10.7
117.07007	14.1
119.08580	52.0
121.06510	6.8
121.10149	22.6
123.08098	6.0
123.11638	2.7
124.93774	7.0
125.06042	2.6
127.03945	4.3
128.06253	2.6
129.06976	9.9
130.07739	2.5
131.08571	29.0
131.09526	3.4
133.04999	10.1
133.06490	5.1
133.10121	32.2
135.08055	46.1
135.11711	8.3
137.09587	3.6
137.13254	2.4
139.07538	3.7
141.07022	4.4
142.07782	4.9
143.08569	15.8
144.09337	5.2
145.04985	2.6
145.10121	53.6
147.04370	2.1
147.08052	8.0
147.11667	10.8
149.09621	13.1
153.09061	5.8
155.08542	6.7
156.09366	5.3
157.10149	27.1
158.10916	3.0
159.11688	43.4
161.09601	6.9
161.13222	4.0
163.11212	6.1
165.07043	2.8
165.09128	6.2
167.08559	4.0
169.10117	8.4
170.10912	3.5
171.08113	2.7
171.11690	22.0
172.12488	2.5
173.09613	5.8
173.13271	14.5
175.11191	4.4
177.09126	3.2
180.09325	3.8
181.10098	7.9
183.11720	11.3
185.09613	4.1
185.13266	8.9
187.11168	8.0
187.14769	5.9
189.09160	3.8
191.10709	2.6
193.12218	4.1
194.10886	2.6
195.11662	15.0
197.09531	2.8
197.13254	15.9
199.11198	11.8
199.14801	20.5
200.15599	2.8
201.12773	2.8
201.16374	16.1
203.10646	5.4
205.12218	4.0
207.11668	2.9
208.12607	2.4
209.11728	4.9
209.13394	11.6
211.11302	3.0
211.14856	8.6
213.09108	2.7
213.12730	5.4
215.10751	2.5
217.12323	5.2
217.15936	4.2
219.17401	3.5
223.11205	4.0
223.14877	4.8
225.16345	3.0
227.10721	2.8
229.12259	4.3
236.15495	2.1
237.12767	7.9
237.16443	6.0
241.12274	6.4
241.19624	2.9
243.17526	2.6
251.14243	3.5
251.17950	17.5
255.13857	3.3
255.17453	5.2
269.15408	3.6
269.18988	10.5
279.07321	19.3
279.17471	8.7
285.18546	3.8
287.20026	9.4
297.18512	82.2
315.19550	100.0
333.20575	51.3
351.21683	68.8
491.29535	2.1
513.17480	3.2
534.00116	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
53.19310	0.7
55.01883	0.8
55.05508	2.7
56.96563	0.8
57.03452	1.3
57.07061	1.1
67.05512	5.2
69.03428	2.1
69.07063	3.9
70.06602	1.1
71.04999	1.4
71.60272	1.1
71.60655	1.1
76.83501	0.8
79.05493	4.4
81.03423	2.1
81.07069	6.8
83.04991	1.3
83.08624	1.4
85.02898	5.1
86.09717	0.8
91.05464	5.8
93.07053	7.9
95.04989	3.1
95.08617	21.4
95.53729	0.7
97.02899	2.8
97.06520	1.4
98.97581	1.4
99.08100	49.2
101.84928	0.8
105.07044	11.1
107.04940	2.3
107.08618	11.2
108.05774	4.2
109.06556	2.4
109.10155	3.6
111.04466	3.0
111.08112	0.9
116.98676	1.2
119.04958	2.0
119.08568	7.7
121.06506	2.7
121.10162	7.6
123.08079	100.0
125.00037	0.9
125.05986	1.4
125.09650	1.4
127.03939	1.7
131.08589	2.1
133.04984	0.8
133.10135	6.0
135.08067	1.6
135.11713	1.9
137.05988	2.2
139.07547	2.4
141.09106	6.8
143.08543	0.8
145.02925	1.0
145.10143	1.3
147.04448	3.0
147.08044	1.1
147.11720	9.1
149.09599	3.4
149.13286	2.1
151.07561	2.4
151.11234	2.3
157.10124	1.9
159.11671	1.0
163.03926	0.9
163.11208	1.3
165.09203	1.9
165.12791	3.6
167.10609	1.1
175.11194	3.1
177.05515	1.6
181.04958	1.0
181.12279	1.8
183.17491	0.8
193.12259	11.9
211.13289	13.4
238.10454	0.8
246.15019	1.0
333.20657	2.9
351.21750	7.4
372.12924	1.0
536.61450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2702
Annotation	Andrographiside
Peak:m/z	Relative Intensity
53.03954	1.7
54.75160	1.0
55.01862	4.6
55.05509	8.6
57.03428	5.4
59.04989	4.5
60.05316	1.2
61.02929	2.7
65.03954	1.4
67.05495	5.0
69.03436	42.6
69.07056	2.1
69.49933	8.5
69.50340	2.8
71.00601	1.1
71.04987	3.5
73.02907	2.8
79.05507	6.4
81.03429	9.5
81.07069	12.8
83.04984	19.4
85.02905	18.2
85.06546	3.3
87.04461	3.3
91.05484	13.0
92.21349	1.2
93.07043	17.6
95.04953	4.8
95.08608	8.8
97.02892	16.6
97.06545	1.7
99.04442	3.8
103.03928	2.3
105.07033	22.6
107.08601	17.8
109.02889	3.4
109.06518	9.7
109.10125	5.6
110.03281	1.1
111.03698	2.2
111.04449	36.9
111.08063	7.2
113.06010	2.3
115.03910	4.2
117.05589	1.6
117.07030	2.6
119.04909	2.8
119.08591	43.8
121.06502	5.0
121.10149	13.1
123.04440	3.0
123.08083	13.1
123.11680	3.7
125.06004	1.3
125.09638	65.4
127.03917	2.0
129.05490	24.4
129.06984	2.1
131.08597	5.9
133.04979	1.7
133.06529	2.2
133.10146	33.6
135.08047	3.0
135.11688	4.9
137.06017	6.6
137.09590	4.6
139.07587	1.4
143.08589	9.7
145.02890	1.2
145.06482	1.5
145.10127	7.0
147.04414	4.8
147.06615	8.9
147.08037	20.5
147.11679	1.7
151.03874	2.2
151.07532	3.4
151.11156	3.3
155.07019	1.7
155.08519	2.3
157.10126	5.4
158.10352	1.5
159.08084	1.6
159.11699	6.0
161.09628	21.9
161.13196	1.8
163.03937	2.3
163.07596	1.7
163.11186	4.0
165.07616	4.7
165.09097	27.7
169.10178	2.0
171.08076	2.6
171.11717	2.7
173.08105	2.5
173.13222	1.6
175.07539	3.9
179.10687	19.9
181.10040	1.5
185.09705	2.9
185.13246	2.9
187.11237	2.2
189.09119	21.0
197.08107	6.8
199.14804	2.9
201.16316	1.5
203.06990	3.3
203.14394	2.8
206.16464	1.3
207.10162	33.8
209.13301	1.6
211.14778	1.3
212.15184	2.7
213.09137	2.2
214.16954	1.8
217.05009	4.9
217.08611	1.4
221.08075	4.6
225.11226	100.0
226.04747	1.3
227.14294	2.8
229.15852	1.4
235.05992	2.8
235.09770	1.3
239.09152	8.0
241.08583	1.3
245.15369	2.1
247.16910	1.6
256.17630	2.9
263.09192	5.0
263.44180	1.2
267.17288	1.6
285.18341	2.0
287.09131	5.1
289.17868	1.9
305.10141	5.2
308.47913	1.2
313.18085	2.7
315.19553	5.0
316.19928	12.5
319.18970	4.2
331.19174	7.7
335.14725	1.6
337.20209	1.8
337.94101	1.5
349.20120	12.7
353.15933	17.4
367.20706	1.7
371.16983	5.1
404.19736	1.8
477.24905	21.3
495.19296	2.0
495.25937	22.2
513.19287	3.6
513.26819	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	513.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.1
57.03435	5.6
61.02922	4.4
61.44161	3.2
65.89156	3.9
69.03426	16.2
69.07059	10.4
70.06596	28.0
71.04993	20.2
71.58936	4.8
72.08147	5.8
73.02908	3.2
79.05482	6.5
81.03440	6.6
81.07050	27.5
82.22325	3.6
83.04963	4.9
85.02905	58.8
85.06555	7.1
85.24830	3.2
86.09704	9.5
89.03870	4.2
91.05505	12.5
93.07064	22.6
93.07558	3.3
95.08617	5.9
97.02895	17.9
97.06561	4.0
98.97614	4.9
105.07059	4.3
107.08566	9.7
109.02882	10.7
109.10159	9.2
116.98612	4.8
119.04961	7.0
123.11758	6.2
127.03919	20.5
135.11714	23.4
145.02910	4.0
145.04970	15.2
147.04414	22.5
151.11234	7.0
153.12737	70.1
155.14304	3.9
163.03943	11.4
163.05980	7.2
165.12672	4.4
169.12285	12.3
172.95226	4.0
177.05498	6.2
181.06430	4.7
187.13297	30.2
197.11963	7.7
204.08426	6.9
205.14381	6.8
207.66452	4.1
209.06065	4.9
230.09901	18.8
237.05582	10.4
247.04045	5.2
248.11078	31.9
249.05536	4.8
261.10037	4.7
265.05051	17.4
283.08664	6.3
293.04453	26.9
311.05475	22.5
315.17798	4.3
321.03940	23.7
333.12790	15.4
339.04993	100.0
340.05289	7.2
351.13828	22.7
381.08884	3.5
513.19098	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	513.1587
Annotation	Isovanilloylcatalpol
Peak:m/z	Relative Intensity
51.41523	0.5
56.05030	0.7
59.06130	18.6
60.04529	3.6
61.30728	0.5
67.05478	0.5
69.03441	0.8
70.06588	0.8
70.89624	1.5
84.04526	0.6
85.02905	1.3
86.09655	0.6
89.07175	0.9
91.05460	1.3
93.07060	2.9
94.91808	0.5
95.95345	0.6
97.02910	1.0
97.06532	0.9
98.20789	0.5
99.04473	0.5
101.07148	39.6
105.07024	0.8
107.08606	1.4
116.98592	0.6
118.95103	0.5
131.04890	0.7
135.11688	2.3
137.06125	0.7
147.04424	2.4
153.12761	0.6
158.99597	0.5
160.20393	0.6
161.03015	0.8
161.05962	0.7
177.05473	1.2
263.14160	0.6
321.74466	0.5
333.10541	1.1
351.10492	13.9
379.09872	0.8
407.91339	0.6
513.15790	100.0
514.16266	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01879	7.5
55.05510	8.5
65.03926	1.4
67.05507	17.0
68.99789	4.7
69.03435	23.5
69.07059	9.1
69.29053	14.9
71.04998	2.8
73.02917	4.0
79.05485	14.4
81.02929	1.9
81.03417	32.9
81.07058	19.9
81.86193	1.1
83.04984	7.2
83.08630	5.7
85.02914	7.2
87.00829	4.8
87.04474	1.9
91.05492	21.2
93.07048	23.0
95.04970	16.5
95.08605	27.6
97.02900	14.3
97.06536	3.0
97.10171	2.7
99.04448	3.5
103.05427	1.6
105.07031	36.8
107.04960	9.7
107.08593	27.4
107.09287	2.1
109.02881	13.4
109.06524	8.6
109.10151	12.2
111.04443	37.4
115.03923	11.4
115.05451	3.2
117.07026	8.3
119.08582	59.3
121.06503	11.9
121.10152	19.9
121.78998	1.4
123.04458	11.3
123.08063	3.8
123.11710	4.8
125.05996	6.1
127.03923	5.3
128.06248	3.6
129.07004	5.4
131.08572	21.0
133.06502	3.6
133.10133	56.4
135.04459	1.7
135.08092	8.1
135.11728	8.7
137.05981	9.4
139.03912	6.1
139.07533	4.6
141.01889	1.6
141.07028	4.0
142.07851	6.4
143.08566	16.5
144.09326	3.2
145.06499	10.9
145.10130	23.4
147.08025	6.3
147.11670	16.5
149.05998	2.0
149.09656	3.4
149.13269	3.1
151.07559	4.5
153.07027	2.2
153.09154	1.4
154.07793	1.9
155.08531	13.7
156.09361	8.5
157.10129	26.8
158.10880	2.5
159.08083	8.0
159.11700	25.8
161.06010	2.4
161.09615	10.0
161.13206	6.8
163.07541	8.8
163.11211	1.6
163.14783	1.6
165.07018	1.7
165.09111	1.7
166.07800	2.5
167.08621	4.6
168.09395	4.3
169.10117	19.1
169.16124	1.4
170.10922	4.7
171.02968	2.0
171.08084	5.5
171.11693	23.5
172.08879	1.8
172.12494	2.6
173.09610	10.5
173.13237	12.5
175.07590	3.6
175.11188	2.7
175.14868	3.3
177.09174	3.2
179.08597	2.7
179.10658	3.8
180.09360	1.8
181.08694	1.7
181.10115	6.7
182.10962	5.2
183.08060	4.4
183.11682	21.0
184.12473	1.8
185.09642	6.9
185.13246	14.2
187.11168	9.9
187.14767	9.7
189.09193	2.6
189.12714	2.6
189.16377	9.6
191.10670	5.4
192.09331	2.3
193.10199	5.1
193.12254	1.7
194.10913	2.6
195.08092	2.5
195.11655	10.7
196.12491	3.8
197.09654	7.0
197.13264	18.0
199.11201	8.2
199.14825	9.8
201.09229	1.7
201.12729	5.0
201.16475	5.1
203.10652	3.6
205.12257	3.2
207.11760	8.1
207.13577	1.8
208.12479	2.1
209.09622	3.2
209.13240	7.1
210.10463	1.8
210.13998	3.1
211.11253	8.2
211.14769	10.8
213.03908	2.7
213.12775	7.1
213.16420	5.5
215.10742	3.0
215.14383	4.1
217.10321	2.2
217.12308	5.2
219.11729	5.6
219.13742	1.9
220.12468	1.8
221.13339	5.6
222.10295	1.4
223.11284	6.3
223.14851	6.7
224.15720	2.0
225.12758	12.0
225.16318	7.8
227.14363	1.8
227.17947	2.4
229.12212	6.9
229.15898	2.3
231.13860	7.3
233.13268	3.6
233.15404	2.3
234.14050	2.6
235.14879	4.4
237.12759	5.0
237.16492	5.6
239.14349	6.3
239.17889	6.5
241.15805	1.6
243.13925	6.2
243.21103	1.7
245.15425	2.3
246.14081	1.7
247.14851	2.1
247.17052	1.6
248.15762	1.8
249.12811	2.8
249.16356	2.3
251.14302	2.5
251.18169	2.4
252.19232	1.6
253.15979	2.9
253.19557	16.8
255.13866	2.1
255.21086	4.4
257.15454	4.0
259.14536	1.6
261.12885	1.7
261.16293	2.5
263.14294	2.9
263.17966	4.1
265.15952	8.7
267.17499	3.6
271.17148	2.7
271.20435	2.4
273.18634	1.6
275.14590	1.7
275.17886	2.1
279.17462	5.0
280.18271	4.4
281.18954	14.7
283.17026	2.3
283.20233	1.9
285.18573	6.1
287.20145	9.9
293.18982	2.5
297.18585	8.7
299.20065	48.3
301.21689	6.1
309.18585	2.4
311.20129	6.5
313.21722	5.0
321.18564	1.9
323.20132	4.3
325.21515	1.8
327.19464	8.0
331.20944	1.4
335.19968	2.8
337.21603	2.6
339.19720	2.4
341.21164	3.5
345.21564	2.3
349.21667	5.0
353.21021	3.0
359.22284	1.8
363.23300	3.8
367.22925	6.4
373.21634	6.9
379.22830	3.7
381.24210	3.5
391.22681	100.0
392.23196	2.2
397.23727	1.7
409.23734	78.4
410.23932	1.8
413.50131	1.7
427.24814	17.4
460.97641	1.5
495.23801	19.2
513.24829	47.5
531.25861	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	513.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87683	5.8
70.48048	9.0
70.48380	9.7
73.38902	5.0
94.93009	6.6
112.89581	15.2
208.97266	11.5
212.85193	33.0
214.84961	7.1
220.72809	6.3
226.86772	35.5
228.86418	12.5
281.76871	5.2
291.35492	6.2
296.97580	17.3
479.96997	6.0
513.12164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.3
51.02375	0.3
53.03930	0.5
55.05502	0.3
63.02375	0.7
65.03941	0.2
67.05488	0.9
70.00381	1.3
78.04704	0.3
79.05494	1.2
83.04959	1.0
89.03918	14.6
90.66181	0.3
91.05489	0.6
93.03376	0.3
93.07064	0.3
95.04966	4.5
103.05476	0.4
105.04503	0.3
106.04198	0.3
107.04945	2.4
111.04465	0.7
117.03377	29.9
119.04967	0.4
134.03662	1.3
134.04504	0.2
135.04417	19.6
145.02844	64.0
146.03137	0.5
149.05975	6.3
158.06047	0.5
161.25609	0.2
163.03902	93.7
164.04169	0.3
177.05467	100.0
178.05858	0.8
181.04944	0.9
182.30365	0.2
186.05484	2.0
195.06525	0.3
319.08124	18.7
333.09665	9.9
513.13940	11.4
513.21741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92599	3.1
67.05508	23.4
69.03416	9.7
69.07037	3.3
69.84759	4.0
69.85162	16.1
70.97043	3.3
73.06528	2.9
73.75047	2.8
79.05484	7.7
81.03429	3.2
81.07063	15.2
81.23113	2.7
85.02898	9.7
86.99329	2.9
91.05476	12.7
93.07057	14.9
95.04964	4.4
95.08600	21.5
97.02882	12.7
97.06519	3.8
105.07012	19.7
107.08569	18.7
109.02868	3.2
109.06485	4.7
109.10162	100.0
111.04455	3.2
117.07033	3.2
119.08581	33.4
121.06529	3.7
121.10153	8.9
123.08084	6.3
125.09650	4.1
127.03915	8.3
131.08545	6.2
133.06496	27.6
133.10115	22.0
134.10414	3.5
135.08058	5.7
137.05917	3.8
137.13350	2.9
143.08560	4.1
145.10138	6.3
147.08052	12.3
149.09634	3.9
157.10115	4.1
159.08064	3.2
161.09589	11.2
165.09190	16.7
177.05565	4.2
179.10661	9.1
189.09116	13.3
199.14664	3.1
203.10767	4.7
207.10205	18.7
225.11206	60.9
226.11565	3.6
238.57414	3.2
269.18710	3.9
286.19037	3.9
314.18347	3.4
315.19574	21.4
333.20642	17.2
349.20062	14.1
350.20465	42.0
494.24524	4.6
512.20361	5.1
526.67694	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	512.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10262	0.9
53.15326	0.9
55.05506	4.5
57.07085	1.2
67.05197	1.1
67.05510	9.0
69.07073	4.4
70.84831	1.6
70.85178	2.1
79.05495	5.0
81.07053	6.6
83.04975	1.8
83.08622	4.2
85.02927	1.4
91.05479	6.3
93.07056	13.0
95.04977	2.6
95.08614	12.6
97.02876	2.1
97.06525	2.4
105.07040	12.7
107.04957	1.6
107.08598	21.7
109.06534	1.7
109.10161	36.4
111.04460	7.5
111.08086	1.7
117.07032	2.4
119.08598	26.8
121.06525	1.9
121.10144	17.4
122.07297	1.2
123.08083	2.5
123.11696	2.0
125.06014	2.9
125.09626	1.3
129.06999	1.1
131.08565	6.6
133.10141	16.0
135.04439	1.1
135.08072	13.6
135.11732	4.9
137.05957	2.4
137.09596	1.0
137.42305	1.0
139.07581	1.3
142.07785	2.2
143.08611	7.0
144.09351	1.2
145.02887	1.0
145.06386	1.1
145.10110	9.3
147.08038	3.0
147.11708	5.2
149.09634	18.4
149.13197	0.9
151.07559	2.1
155.08588	2.0
156.09341	4.0
157.10127	11.2
158.10921	1.2
159.07993	1.7
159.11699	11.6
161.09650	3.7
161.13269	3.0
163.03897	2.8
165.09109	3.6
167.08720	1.0
169.10136	5.7
170.10944	2.8
171.11684	19.0
173.09645	2.7
173.13283	11.2
175.11169	2.2
175.14825	2.4
177.09050	1.0
179.08589	0.9
179.10683	3.0
180.09302	1.0
181.10150	2.6
181.12318	1.4
183.11676	4.7
184.12492	3.2
185.09627	3.1
185.13290	11.3
186.14069	2.1
187.11235	5.1
187.14836	9.9
189.09120	2.2
189.16371	6.9
191.10634	2.3
193.10248	1.2
195.11729	4.8
197.13277	6.8
199.11203	9.5
199.14833	15.9
200.15625	1.9
201.12762	2.9
202.02208	1.0
203.10703	2.9
205.12236	4.1
207.11740	1.8
209.09726	1.0
209.13246	5.8
211.14833	3.9
213.12700	2.1
215.10704	1.4
217.12231	5.5
217.15881	3.1
219.13910	1.2
221.13333	1.5
222.14024	1.5
223.11092	2.3
223.14861	3.0
225.12930	1.5
225.16365	5.6
227.17924	6.5
229.12244	1.2
231.13763	2.3
235.14813	1.2
236.15637	2.1
237.12801	1.6
237.16354	3.0
239.18010	1.0
241.12263	2.5
241.19537	4.1
243.13889	1.4
251.17998	7.0
255.17477	2.6
267.17487	1.3
269.19077	9.4
271.16998	1.0
273.18506	1.2
279.17542	5.3
285.18570	3.5
287.20071	27.6
297.18533	32.5
298.18979	1.3
315.19571	100.0
316.20013	1.4
333.20694	9.2
356.22278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01864	1.6
55.05518	2.5
57.03443	2.3
62.75797	0.9
64.25726	0.9
65.03947	1.7
67.05510	11.1
69.03431	10.3
69.07070	3.4
70.72142	3.5
71.04958	1.0
79.05493	9.0
81.03417	4.1
81.07045	11.2
83.04996	2.3
83.08635	2.0
84.03439	1.0
85.02908	6.6
91.04956	1.4
91.05477	9.2
93.07047	18.1
95.04974	3.6
95.08600	13.9
97.02901	8.8
97.06525	2.2
99.04465	0.9
105.07029	15.6
105.07677	1.3
107.04945	1.7
107.08599	25.5
108.08884	1.0
109.02884	10.2
109.06515	7.3
109.10156	29.2
111.04449	5.6
114.46868	1.1
117.07023	3.3
119.08585	28.7
120.08904	1.1
121.06522	6.3
121.10152	10.6
123.04520	1.1
123.08029	5.0
123.11713	3.0
125.09560	1.1
127.03933	7.6
128.06250	1.2
131.08606	5.0
133.06514	2.2
133.10133	23.8
135.08057	16.0
135.11700	10.4
137.06006	1.3
137.09621	2.3
139.07593	1.3
143.08551	3.9
145.04984	1.6
145.10124	4.5
146.07315	1.2
147.08060	13.3
147.11687	2.3
149.09616	5.8
151.11191	1.6
153.01884	1.3
157.10078	1.9
159.11717	3.4
161.09665	13.1
163.07545	1.3
163.11192	3.1
165.09119	17.1
170.26006	1.1
171.11719	2.0
173.09543	1.1
173.13345	1.5
179.10690	11.5
187.11198	2.0
187.14915	1.4
189.09109	12.9
199.11336	1.2
199.14862	1.3
205.12180	1.3
207.10173	27.1
213.12761	1.5
217.12271	2.3
225.11229	100.0
226.11392	1.4
231.13799	1.6
243.12300	1.2
266.13876	1.2
269.18887	1.9
287.20120	4.0
291.12173	2.3
297.18414	6.5
315.19559	55.0
333.13846	5.1
333.20612	42.5
333.24698	1.9
369.15506	4.1
374.23196	1.6
409.13925	1.2
459.23538	1.4
467.51447	1.4
477.24750	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	512.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.4
67.05512	16.5
69.03420	6.7
71.04979	3.3
71.30035	5.9
71.87589	2.9
73.21917	2.6
79.05481	5.3
81.07047	11.5
83.04971	12.0
85.02879	6.5
87.85790	2.7
91.05470	10.1
93.07034	15.1
95.08611	16.0
97.02869	10.7
105.07035	17.3
107.04964	4.1
107.08604	22.6
109.02854	7.0
109.06490	6.9
109.10152	100.0
111.04432	7.8
111.08092	3.2
117.07034	3.2
119.08574	40.0
120.08812	2.8
121.06557	3.9
121.10133	8.6
123.08089	9.4
123.11685	4.9
125.09620	33.3
127.03890	9.9
129.05493	7.2
133.06490	27.9
133.10120	23.2
135.08003	4.4
140.24872	3.4
145.10124	3.4
147.08029	15.6
147.11688	3.3
149.09605	3.0
159.11693	4.2
161.09647	14.3
163.03877	4.6
163.11206	7.5
165.09122	19.6
171.11746	3.2
179.10678	15.8
189.09090	16.0
199.11197	3.7
207.10162	19.2
209.11705	4.2
217.12099	4.5
225.11223	67.0
279.17542	3.1
297.18420	3.8
315.19415	22.6
322.31573	3.2
331.19052	4.3
333.20596	19.0
349.20065	18.8
367.20996	3.2
441.22269	4.2
459.23407	3.9
512.50427	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	512.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93680	0.6
55.05511	1.1
57.19806	0.7
59.05002	20.8
61.36448	0.7
62.42553	0.7
65.23641	0.8
67.05490	3.0
69.03423	1.6
69.07057	2.2
69.33853	8.0
70.06586	1.2
71.04975	0.7
73.62679	0.7
79.05476	2.4
80.31915	0.7
81.03420	1.3
81.07052	2.5
85.02898	3.8
91.05477	7.4
93.07028	2.7
95.04971	1.8
95.08613	2.2
97.02909	3.7
105.07024	14.3
107.04936	1.0
107.08592	2.8
109.06504	0.8
109.10153	1.7
111.04430	4.2
115.03879	0.9
117.03384	1.6
117.06988	1.4
119.08568	5.7
121.10133	1.9
125.09631	1.9
127.03909	2.0
129.06985	0.9
131.04932	2.6
131.08565	8.7
132.05794	1.4
133.06061	1.3
133.10165	2.0
135.08084	3.4
135.11705	1.3
141.06981	1.5
142.07745	1.7
143.08585	5.2
145.10120	5.5
147.04340	0.9
147.11647	0.9
149.05954	1.0
151.98019	0.7
153.01894	1.3
154.07692	0.7
155.08548	10.4
156.09372	1.3
157.10133	10.6
159.08113	0.7
159.11681	14.9
161.05989	1.7
161.09674	1.0
161.13249	1.2
162.06526	1.0
163.02673	0.9
163.03833	3.8
163.14877	0.9
165.09125	1.3
167.07056	1.1
167.08574	1.4
168.07352	0.9
169.06409	0.7
169.10088	3.5
171.07947	0.8
171.11664	8.3
173.13290	3.1
175.14835	1.9
177.05499	2.0
179.08600	1.6
180.09212	0.9
181.10139	5.1
182.10915	1.0
183.11682	3.3
185.13275	3.8
187.14830	1.2
192.07544	1.1
192.09294	0.9
193.08185	1.1
193.10114	1.1
195.11678	4.4
196.12505	1.1
197.13263	2.8
203.14278	1.5
205.10078	0.8
205.16034	1.2
207.11867	0.9
209.11572	1.0
209.13362	4.2
211.11295	0.8
211.14769	10.7
213.16386	13.6
217.04999	0.8
219.11752	1.2
221.13254	2.0
222.14099	0.8
223.11031	1.1
225.16263	1.1
227.17947	5.9
232.12515	1.1
235.14804	3.3
237.16345	9.8
239.14203	2.6
240.09911	0.7
245.04469	0.9
246.04845	1.3
251.17931	1.8
253.15875	2.4
255.17445	18.6
255.20097	1.3
257.15347	4.1
261.16385	1.9
273.04001	0.9
273.18448	3.6
274.04291	1.4
279.17487	7.2
297.18542	9.4
301.03632	1.4
302.03741	1.5
311.84177	0.8
315.19553	100.0
316.19894	2.2
328.05115	1.1
333.20520	1.5
339.05203	0.8
462.08994	2.4
494.11523	1.7
512.12750	19.1
513.12909	2.0
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
53.03962	0.4
53.54417	0.2
55.05503	0.8
57.03435	0.4
57.07071	0.3
58.90999	0.2
59.05002	20.8
63.40181	0.3
67.05486	1.0
69.03437	0.6
69.07068	2.3
69.44398	1.9
69.44801	0.6
71.04990	0.3
79.05492	0.6
81.03419	0.4
81.07047	1.0
83.04983	0.6
83.08611	0.8
85.02896	1.4
91.05479	4.3
93.07059	1.4
95.04980	0.4
95.08587	1.1
97.02883	0.7
98.80209	0.2
99.28259	0.2
103.05452	0.4
105.07028	13.8
106.25394	0.3
107.08575	2.1
109.02869	0.3
109.06534	0.6
109.10163	0.7
111.04433	3.4
112.64822	0.3
117.07007	1.2
119.08576	3.0
121.10145	1.1
128.06200	0.2
129.07001	1.4
131.04912	0.5
131.08568	7.6
133.10129	1.1
135.04353	0.4
135.08047	3.4
135.11725	0.8
141.07013	1.5
142.07767	1.0
143.08559	4.8
145.10132	4.5
147.08035	0.4
147.11687	0.7
149.09599	0.5
153.06966	0.3
154.07819	0.3
155.08549	10.7
156.09309	1.1
157.10126	10.5
157.11444	0.4
158.10884	0.3
159.11691	13.8
161.09631	0.3
161.13257	1.3
163.03932	2.8
163.14799	0.6
165.06992	0.7
165.09056	0.3
167.08540	1.2
169.10129	3.7
170.10881	0.5
171.08124	0.5
171.11684	8.6
173.09590	0.4
173.13258	1.7
175.14793	1.0
179.03336	0.3
179.08533	1.2
180.09355	0.5
181.10107	4.6
182.10922	0.7
183.08064	0.8
183.11697	3.6
184.12488	0.3
185.09602	1.0
185.13243	3.6
187.07732	0.3
187.14807	0.5
193.10118	1.6
194.10890	0.5
195.11684	5.0
196.12517	1.3
197.09636	1.1
197.13245	2.9
199.11186	0.7
199.14856	0.7
203.14317	0.9
205.10139	0.6
205.12102	0.3
205.15906	0.8
207.11684	0.7
208.12506	0.4
209.09579	0.3
209.13242	3.4
210.10399	0.3
211.11464	1.3
211.14830	11.4
213.13071	0.5
213.16386	12.2
217.12186	0.4
217.15814	0.4
219.11674	0.5
220.12489	0.5
221.13242	2.3
222.14012	0.7
223.11165	0.9
223.14847	0.9
225.12839	0.6
225.16336	0.5
227.10760	0.3
227.17960	5.0
229.19531	0.3
231.11705	0.4
235.14810	3.1
237.12630	0.7
237.16388	10.1
239.14334	2.6
246.14087	0.4
251.14261	0.4
251.17938	1.9
253.15884	2.2
255.17444	17.4
257.15335	3.8
261.16400	2.5
264.15259	0.3
269.19055	0.5
271.16943	0.4
273.18430	3.3
274.04175	0.3
279.17453	5.1
297.18475	8.0
315.19547	100.0
316.19843	1.8
333.20703	1.4
462.08969	0.5
494.11511	0.6
512.12720	3.6
513.12866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53109	0.8
53.03943	1.6
55.01874	1.6
55.05500	1.9
55.50268	0.9
57.03437	2.2
57.07085	1.4
58.88680	0.8
61.02927	3.7
61.46770	0.8
67.05509	7.4
69.03433	8.3
69.07070	5.5
69.41745	3.0
69.42165	4.5
70.06585	1.4
71.04993	1.4
73.02924	2.3
73.11954	0.8
79.05501	2.2
81.03436	2.4
81.07059	7.7
83.08642	1.7
85.02911	35.5
87.04497	1.2
91.03974	1.9
91.05481	5.0
93.07050	46.0
95.04969	1.5
95.08047	1.7
95.08611	21.6
97.02896	10.1
97.06530	4.6
99.04459	1.9
105.07042	2.0
107.08606	20.7
109.02889	3.0
109.06488	1.0
109.10163	78.4
115.03922	1.0
119.04970	1.6
125.13271	3.8
127.03922	8.3
135.11703	84.9
140.10666	1.2
145.04973	16.2
147.04431	3.9
153.12753	100.0
163.06017	7.8
171.13837	1.0
177.05409	0.9
180.08795	1.0
261.14883	1.8
279.15967	1.0
297.16977	25.9
315.18051	3.3
325.11273	3.4
338.70410	0.9
350.19016	1.3
355.37717	1.0
386.70142	0.9
462.55118	0.9
512.24115	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	512.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	6.9
57.03431	7.3
67.05511	21.2
69.03433	21.2
69.07056	4.5
69.64990	21.8
71.04985	18.1
75.65426	3.3
79.05480	6.3
81.07071	14.8
81.82177	2.9
85.02908	31.1
87.04467	3.4
90.28975	2.8
91.05462	8.3
92.90363	3.5
93.07045	15.2
95.08601	13.2
97.02909	18.0
98.97595	7.5
105.07018	16.9
106.93501	3.2
107.04933	4.7
107.08598	18.9
109.10160	100.0
109.10914	4.7
111.08068	4.3
115.03921	4.8
119.08572	29.0
121.10143	8.2
123.08089	4.4
123.11766	4.0
127.03965	5.2
129.05461	9.5
131.08519	5.2
133.06473	3.1
133.10147	19.3
135.08067	5.8
137.13235	4.8
142.35825	2.8
145.10059	3.6
147.08028	8.6
161.09618	14.3
163.11081	3.9
165.09171	20.8
178.59782	3.4
179.10623	9.7
183.97726	3.0
189.09152	14.0
196.70734	3.0
207.10243	15.7
219.32208	3.1
225.11240	70.0
260.82886	3.1
274.95587	3.0
282.39240	3.2
297.18631	4.2
315.19446	10.6
324.47284	3.2
333.20596	14.9
379.16333	3.1
386.40738	3.1
386.45801	3.5
441.22806	4.3
458.18628	3.2
491.22128	18.0
491.72464	11.3
500.22440	11.6
500.72769	6.6
511.73297	6.8
512.23645	12.0
536.34985	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	512.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65089	0.5
51.74265	0.5
53.03938	0.9
55.01870	0.8
55.05500	1.4
57.03447	1.2
59.05020	1.0
61.02914	2.5
64.26794	0.5
65.96620	0.5
69.03431	5.7
69.07049	1.6
70.06588	1.0
70.19864	0.8
70.20261	1.8
71.04993	10.3
73.02911	0.6
73.06544	2.2
77.93872	0.5
79.05489	2.5
81.03421	1.8
81.07063	10.8
85.02907	33.4
87.04426	0.7
91.03954	1.8
91.05449	1.2
93.07051	8.8
95.04980	0.6
95.08604	1.8
97.02900	8.5
97.06548	0.7
99.04465	1.7
105.03391	1.7
105.07053	0.7
107.08598	6.3
109.02846	3.5
109.10148	1.4
117.03311	0.7
119.19457	0.5
121.02885	1.1
127.03918	11.7
135.04436	0.8
135.11693	16.7
145.02899	1.0
145.04962	17.3
153.12750	100.0
163.03931	5.7
163.06012	11.5
164.04178	0.7
167.07109	0.8
177.05377	0.6
222.91884	0.6
254.14600	0.6
278.14798	0.6
289.09357	0.9
316.41782	0.6
325.11270	3.1
339.05081	0.9
512.21558	6.0
513.15881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01866	1.5
55.05505	5.5
57.03428	4.8
59.04985	1.6
60.04517	1.3
61.02924	7.7
65.03952	2.2
67.05492	3.7
69.03127	1.6
69.03435	19.5
69.07065	6.7
70.06591	9.3
71.04985	6.6
71.58973	2.7
72.08156	2.1
73.02903	5.1
74.06054	1.6
76.07636	4.9
78.69450	1.2
79.05499	12.6
81.03429	7.3
81.07059	9.1
83.04974	3.9
83.08634	1.4
85.02905	100.0
86.09701	3.0
87.04443	2.8
87.45609	1.3
91.03954	3.6
91.05485	18.2
93.07044	70.2
95.04968	5.5
95.08615	16.2
95.12522	1.3
97.02895	30.6
97.06531	5.6
98.97609	1.8
99.04456	4.8
101.02403	1.8
103.03999	1.5
105.04475	1.6
105.07014	7.9
107.04932	1.4
107.08595	88.8
109.02884	8.6
109.06568	1.7
109.10164	20.3
110.07181	1.8
115.03917	1.8
119.04968	1.8
119.08569	2.9
120.08100	4.5
121.06535	1.8
121.10159	2.2
123.11745	1.8
126.05580	1.6
127.03920	29.4
133.10130	3.0
135.11693	78.9
136.07550	2.9
137.05994	1.4
145.03104	1.8
145.04958	46.5
147.04443	4.1
147.11729	1.7
151.11160	3.4
153.12750	31.3
161.05998	2.2
163.03937	3.9
163.06021	19.1
165.12758	2.8
167.07072	1.6
169.12228	2.6
177.05435	1.8
183.13799	1.5
201.56509	1.3
204.08731	1.3
210.14981	2.4
228.15913	3.2
263.07230	1.5
265.07523	1.4
279.15945	2.4
296.17023	1.3
297.16876	1.9
311.05521	1.5
325.11346	4.3
339.04977	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	512.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49731	0.5
53.03935	0.8
55.05499	1.5
58.32437	0.6
59.04996	3.0
67.05485	1.0
69.03425	2.0
69.07056	1.4
70.06577	1.1
75.53642	0.5
77.03921	0.6
79.05479	3.7
81.03411	2.5
81.07046	2.3
85.02901	1.5
89.03917	3.8
91.05491	6.0
93.07040	13.9
95.04950	2.3
95.08591	1.8
97.02908	0.9
97.06533	0.6
103.05476	0.6
104.06271	0.5
104.66053	0.5
105.07046	4.9
106.84680	0.5
107.04965	2.2
107.08590	17.6
109.02882	1.1
109.06505	1.1
109.10135	0.7
109.84142	0.5
111.04449	0.7
117.03367	6.2
119.08582	1.3
121.06550	0.8
121.10120	0.7
127.03891	1.0
130.06546	0.5
131.04890	1.6
131.08560	1.5
132.05779	0.6
133.06046	1.2
133.10141	1.0
135.04411	12.1
135.11691	11.2
145.01749	0.9
145.02850	10.8
145.10143	1.3
146.03676	0.7
149.05962	0.6
149.09587	0.5
153.01828	1.3
155.08574	1.6
157.10149	1.2
159.11639	2.6
160.05211	0.8
161.05881	0.7
162.06419	0.6
163.03900	100.0
164.04266	1.7
167.07045	1.2
168.07397	0.9
169.10124	0.6
171.11734	1.0
171.89894	0.5
177.05420	1.2
178.05998	0.8
181.04921	2.6
181.10104	0.6
192.07779	0.6
193.08092	0.8
194.02295	0.5
195.11667	0.7
211.14848	1.5
213.16397	1.8
217.04941	1.3
218.05301	1.2
229.60838	0.5
229.68942	0.5
230.05330	0.8
237.16356	1.1
246.04863	1.5
249.04970	0.6
255.17361	1.3
273.03995	1.2
274.04410	1.0
279.17493	0.8
285.03900	0.7
297.18430	1.5
301.03464	1.1
302.03833	2.0
307.08200	2.8
315.19589	9.6
321.04172	0.6
325.09067	5.7
339.05017	0.6
340.05304	0.9
462.08972	1.9
494.11545	1.6
512.12665	16.3
512.18829	0.6
513.12555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06245	1.3
55.01865	3.0
55.05495	2.1
57.03185	2.1
57.03438	24.6
59.05015	6.7
60.04516	4.1
61.02926	3.1
67.05505	1.7
69.03432	91.2
69.07078	1.6
69.63826	5.6
69.64258	5.3
71.04993	2.0
73.02920	3.1
75.04475	5.1
79.17283	1.4
81.03414	5.8
81.07054	3.5
83.04972	2.1
85.02909	66.3
87.04473	54.3
91.05489	3.5
93.07071	3.3
95.04994	2.3
95.08599	3.7
97.02898	75.9
97.06518	2.3
98.21474	2.8
99.04451	2.3
103.03915	1.8
105.07015	3.5
107.08651	2.2
109.02880	3.6
109.10139	2.4
111.04477	3.1
115.03934	98.8
119.08602	2.5
121.10116	1.9
123.08100	1.6
127.03862	8.7
128.06229	4.8
129.07022	3.1
130.07738	1.8
132.05746	4.3
133.04971	95.3
133.10179	1.9
135.11716	2.4
137.06032	1.7
139.03935	1.9
141.07036	2.3
142.07814	2.1
145.04980	8.0
145.10077	1.9
147.11708	1.7
150.07622	23.2
153.07002	5.6
154.07803	2.1
155.08585	8.8
163.03912	1.6
163.06021	2.2
165.07019	5.7
168.05701	6.7
169.04944	1.7
169.10182	2.1
171.08075	6.0
178.07852	2.1
181.06555	2.2
182.07220	2.6
183.08063	100.0
185.09596	2.3
187.05994	1.7
194.07397	1.4
195.08073	4.4
197.09633	38.5
199.07655	2.9
201.09123	7.2
207.08141	3.5
209.09621	3.4
211.07542	1.7
221.09660	9.4
223.07755	2.1
223.11160	4.2
223.82147	1.6
225.09126	29.4
237.09108	4.9
239.10881	1.7
241.07022	2.8
249.09221	2.0
251.10741	5.9
259.08243	4.0
267.10141	7.7
277.09152	4.2
279.10178	5.4
287.18393	2.5
289.83032	1.5
291.10159	2.7
295.10208	2.0
297.11328	4.6
303.71524	1.4
309.11176	6.5
315.12329	3.8
327.12277	5.8
333.20502	2.1
383.05084	1.4
512.21033	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.3
53.47781	5.9
55.01863	8.1
55.05507	26.1
56.66590	5.5
61.67022	5.6
65.03943	8.2
65.49469	6.1
67.05504	35.2
69.03431	18.6
69.07069	12.2
71.05014	13.1
71.60432	10.0
79.05508	33.9
81.03414	45.9
81.07049	50.6
83.04980	14.5
83.08604	17.5
85.02922	14.6
91.05480	38.3
93.07039	40.1
95.04968	22.4
95.08623	43.4
97.02895	30.4
97.06534	11.1
99.04463	8.7
105.07040	43.2
107.04951	16.9
107.08601	32.9
109.02886	100.0
109.06522	17.8
109.10162	15.2
111.04453	17.5
111.08096	10.4
115.03963	7.3
117.07043	9.6
119.08609	51.1
121.10128	39.6
123.08067	19.2
123.11713	9.4
125.09637	63.1
127.03923	85.3
131.08530	15.2
133.10146	42.2
135.08008	8.8
135.11688	15.8
137.05994	12.7
137.09641	7.0
143.08574	12.9
145.04912	8.1
145.10162	15.7
147.08041	20.1
147.11707	12.3
149.09625	10.5
151.11244	10.6
153.05452	10.4
157.10088	11.1
159.11696	16.0
161.09645	18.2
161.13228	7.6
163.03894	6.0
165.09183	20.2
166.52937	6.4
167.07034	12.8
175.11214	9.3
179.10759	11.9
183.11794	7.2
189.09091	16.4
193.12260	15.1
207.10162	26.4
209.11728	8.8
211.13213	11.3
223.41115	6.4
225.11211	49.7
227.12656	7.0
247.17047	10.2
267.15732	9.8
278.27567	6.4
283.15411	7.0
310.18085	6.0
331.19009	7.3
349.20239	16.2
350.34531	6.5
393.26437	7.9
457.22052	15.6
493.27859	22.0
511.09995	6.6
511.21536	42.1
511.29465	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	511.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.05511	6.3
57.03435	3.4
61.15619	2.2
62.81641	1.8
65.03931	2.0
67.05495	5.2
69.03426	4.5
69.07070	5.3
71.04976	4.5
73.02916	2.3
79.05489	6.6
81.03412	11.5
81.07058	7.9
83.01338	2.3
83.04994	3.3
85.02895	4.0
91.05481	3.7
93.07059	4.4
95.04963	3.4
95.08601	7.9
97.02889	16.1
97.10148	1.9
99.04462	2.7
103.05478	5.1
105.07032	6.4
107.08588	5.5
109.02872	15.0
109.06551	2.0
109.10178	2.4
111.04436	4.7
114.02140	1.8
119.08571	7.7
121.10147	4.4
123.04346	2.0
125.09622	3.0
127.03917	100.0
131.04932	17.5
131.08582	4.0
133.10121	7.6
135.04366	1.8
139.03905	9.1
143.08542	4.0
145.10129	2.8
147.08044	2.8
147.11693	2.2
155.25349	1.9
157.10135	3.2
159.08052	2.7
159.11696	4.1
161.09654	4.2
161.13336	2.4
183.11772	3.1
207.10187	2.4
211.13368	3.0
234.04808	2.0
254.81595	2.0
271.16800	2.0
285.18448	5.6
313.17932	3.4
331.19000	8.2
337.03354	3.1
345.87216	2.0
349.20209	4.9
391.21255	19.1
457.22180	14.5
475.22934	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	511.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53235	4.5
53.03949	4.8
54.51006	4.7
54.83083	4.5
55.05503	7.6
57.03429	5.9
62.89551	4.4
66.87956	4.2
67.05499	13.6
69.03435	10.0
69.07047	4.4
70.03368	24.6
79.05502	13.1
79.68958	4.3
81.03417	24.7
81.07052	19.4
83.08622	5.3
85.02898	11.9
91.05482	13.8
93.07041	18.2
95.04939	8.5
95.08604	14.4
96.56229	4.3
97.02914	25.5
97.06523	5.5
105.07024	25.6
107.04903	4.7
107.08605	22.7
109.02152	5.0
109.02880	100.0
109.06512	9.0
109.10141	9.9
110.03191	5.7
111.08079	16.4
119.08582	36.6
121.10129	12.2
123.08104	12.5
123.11703	5.0
125.09631	71.8
126.09985	7.5
127.03925	85.7
131.08603	6.7
133.06505	7.4
133.10132	31.5
135.11650	7.2
145.04906	10.8
145.10136	11.6
147.04398	7.0
147.08084	11.7
155.14297	6.9
161.05936	5.6
161.09641	20.5
165.09065	23.8
173.09705	5.2
179.10609	22.2
183.13901	4.9
189.09094	14.8
207.10175	22.0
209.42131	5.1
211.13239	5.7
225.11206	44.6
226.11519	8.0
252.67027	4.9
331.19144	11.0
349.20102	13.0
351.14215	9.1
457.22183	7.7
475.23059	6.3
511.19348	10.4
511.28412	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	511.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.0
56.96546	5.7
57.51436	5.0
69.03422	14.2
69.87142	11.5
69.87555	24.5
73.51028	5.5
79.05507	5.5
81.03426	20.8
81.07051	13.9
83.04980	6.8
85.02920	7.9
91.05470	12.7
91.21631	5.4
93.07031	15.4
94.53641	5.8
95.04951	5.2
95.08585	16.6
97.02898	14.8
97.06520	5.0
98.20767	10.9
99.04517	6.4
105.07017	23.9
107.08589	23.2
109.02885	100.0
109.06515	7.1
109.10149	9.2
111.08071	8.6
119.08581	39.9
120.08958	7.0
121.10152	15.2
123.08094	13.5
125.09651	64.4
127.03935	88.9
131.08519	6.5
133.10141	32.4
134.10446	6.7
135.11736	9.8
142.84523	6.6
143.08543	7.8
147.08051	22.3
148.96411	6.1
159.36932	5.8
161.09599	20.1
165.09111	20.6
179.10652	10.9
189.09091	15.6
207.10146	21.4
219.01578	6.3
225.11292	40.7
226.11566	10.3
255.09015	5.8
281.07086	7.1
299.08057	8.5
331.19077	7.9
349.20129	13.0
351.14313	9.1
457.22153	11.3
476.23325	13.2
479.20023	8.0
512.33325	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	511.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.8
55.01877	8.5
55.05491	18.5
55.53940	8.5
57.03428	8.1
66.79833	8.3
67.05508	39.3
68.70124	7.1
69.03423	18.1
69.07058	14.8
71.58486	13.7
72.22080	8.0
79.05490	37.9
81.03413	55.5
81.07077	43.0
83.04969	18.5
83.08614	11.0
85.02885	9.2
91.05496	43.2
93.07040	40.7
95.04967	19.1
95.08606	33.7
97.02882	29.4
97.06547	8.2
99.04461	10.9
103.05487	9.4
105.07048	38.7
107.04941	9.1
107.08584	29.6
109.02882	100.0
109.06492	15.1
109.10146	22.2
111.04458	12.4
111.08088	12.2
117.07030	7.1
119.08599	53.4
120.08952	8.5
121.06503	15.2
121.10129	30.3
123.08060	15.8
124.39272	8.3
125.09647	78.3
126.09977	8.9
127.03906	88.1
129.07045	13.8
131.08530	14.2
133.10120	41.7
135.08092	8.9
135.11766	18.3
137.09610	11.4
145.04933	10.8
145.10123	15.1
147.04431	11.4
147.08069	14.1
147.11641	12.4
149.09612	13.6
157.10219	8.5
161.09625	25.8
163.11176	7.6
165.09106	19.9
175.11220	9.1
177.05511	15.0
179.10699	12.1
189.09038	15.0
193.12314	11.4
207.10143	26.4
225.11235	28.1
226.11583	17.4
246.78271	8.6
247.92281	7.6
290.69144	9.3
331.19012	16.2
381.12622	9.0
443.96933	7.9
457.22308	14.5
457.29004	14.0
476.23505	15.8
511.23087	16.9
511.29730	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	511.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
54.14598	3.0
54.25415	3.0
55.05500	5.8
56.96566	5.6
57.03423	13.2
61.02937	15.2
66.72317	2.6
67.05502	19.6
68.46961	2.6
69.03421	15.2
69.07059	10.3
71.04975	3.9
73.02906	12.0
79.05502	21.1
79.05898	3.2
79.59344	3.2
81.03428	15.7
81.07053	25.4
83.04968	3.3
85.02911	18.3
91.03945	6.9
91.05491	25.1
93.07059	22.9
94.07545	3.1
95.04982	5.4
95.08601	13.3
97.02888	27.2
98.97594	5.0
99.04471	9.3
99.87498	3.1
105.07009	27.0
107.04967	5.2
107.08611	19.2
109.02885	37.4
109.06529	6.7
109.10135	7.8
110.03272	3.0
111.08070	5.3
116.98624	3.6
117.07012	8.8
119.08589	29.7
120.08868	4.3
121.10126	13.2
123.08064	9.6
125.09642	30.1
126.10009	3.4
127.03923	36.1
129.06978	5.1
131.08543	14.1
133.10146	27.0
134.10468	4.4
135.08104	5.3
135.11702	7.0
141.77684	2.7
145.04938	4.7
145.10066	12.1
147.08047	8.1
147.11713	7.3
157.10101	3.6
159.11685	7.4
161.09599	12.3
162.10060	3.1
163.11093	3.6
165.09135	8.0
169.10066	3.5
171.11673	2.9
173.09627	3.3
178.94518	2.7
179.10684	9.3
189.00627	3.1
189.09119	7.0
193.12206	3.7
193.78922	2.9
207.10152	13.4
219.17451	100.0
219.19591	5.2
225.11174	20.8
226.11580	4.1
275.20099	17.9
331.18994	4.3
332.19299	7.2
349.20212	6.6
349.23770	17.0
351.35217	3.3
391.21039	3.9
457.21924	5.1
476.23557	3.4
490.21393	19.0
490.71442	10.6
497.29526	3.7
499.21906	4.8
508.18723	3.1
510.72531	14.0
511.21973	3.8
511.29413	4.8
533.48181	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	511.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01868	5.9
55.05498	6.1
56.96562	9.6
67.05489	13.1
69.03426	22.1
69.07068	6.4
69.54819	31.7
70.06596	6.6
71.04989	7.2
73.02909	6.0
77.03971	3.9
79.05479	11.9
80.33309	4.1
81.03411	24.3
81.07054	34.1
82.07399	7.5
82.93576	3.9
83.60218	3.9
84.96046	8.1
85.02904	74.3
86.03229	16.1
91.05478	19.3
93.07048	16.9
95.01348	22.2
95.04948	4.9
95.08617	20.2
96.01671	4.6
96.08904	4.3
97.02883	44.5
97.06535	5.2
98.97568	11.3
99.04477	8.7
105.07034	20.6
105.36248	4.0
107.04896	5.1
107.08595	23.5
109.02878	100.0
109.06512	8.2
109.10074	6.4
110.06920	4.3
111.08145	5.7
116.98619	9.1
117.07021	5.6
119.01846	4.5
119.08588	40.7
121.06475	7.1
121.10147	17.9
123.08060	10.4
123.11741	5.6
125.09632	67.7
127.03913	95.6
128.04240	9.4
131.08603	6.5
133.10127	32.2
134.99648	12.7
135.08128	6.7
135.11696	6.8
137.05962	12.1
137.13185	10.7
138.13618	4.5
141.01834	41.3
142.02144	19.1
143.08630	5.3
145.04944	39.1
146.05301	13.1
147.04356	10.4
147.08038	14.3
151.11238	7.6
159.02834	7.1
161.09595	17.1
163.03897	10.2
163.06029	14.7
164.06334	8.1
165.09177	20.7
167.07040	13.6
179.10677	15.2
189.09113	14.1
207.10156	20.4
221.32669	4.1
225.11224	45.1
261.02991	6.3
267.12350	7.5
281.06915	9.0
299.08038	6.7
331.19034	12.0
349.20193	13.6
351.14328	6.4
391.20990	6.8
425.11072	5.4
457.22314	12.0
469.10794	4.6
511.12216	13.4
511.19376	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	511.2539
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
51.58447	0.5
55.05480	0.6
58.68276	0.6
60.15828	0.6
67.05495	1.6
69.03444	3.1
70.65427	0.7
70.65791	1.8
79.05508	3.0
81.07047	6.6
83.04984	0.8
85.06551	0.9
91.05461	4.4
93.07045	5.5
95.04996	1.0
95.08598	2.8
97.02886	6.6
97.06547	0.8
105.07034	8.2
107.08595	10.9
109.06505	3.3
109.10168	2.4
111.08080	2.1
113.06005	0.7
117.07016	1.1
119.08581	20.6
121.06526	1.4
121.10149	5.9
123.08081	5.6
123.11696	2.0
125.09629	100.0
131.08606	1.3
133.10130	15.7
135.11688	1.9
137.09636	3.0
143.08571	2.8
145.06500	0.6
145.10123	0.8
147.08040	11.2
149.05908	0.6
149.09633	1.0
151.11206	1.7
161.09628	9.2
165.09123	13.4
179.10657	9.1
183.11598	0.7
189.09108	7.5
203.10789	0.6
207.10167	13.9
207.12067	1.0
225.11221	34.1
242.91740	0.7
243.12277	0.7
263.54346	0.7
271.16928	0.9
285.18417	1.4
289.18036	2.1
303.19553	1.1
313.18054	2.1
331.19070	12.0
349.20065	28.9
350.20486	1.1
367.21335	3.4
461.18573	0.6
478.79501	0.6
482.45560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.3
53.47781	5.9
55.01863	8.1
55.05507	26.1
56.66590	5.5
61.67022	5.6
65.03943	8.2
65.49469	6.1
67.05504	35.2
69.03431	18.6
69.07069	12.2
71.05014	13.1
71.60432	10.0
79.05508	33.9
81.03414	45.9
81.07049	50.6
83.04980	14.5
83.08604	17.5
85.02922	14.6
91.05480	38.3
93.07039	40.1
95.04968	22.4
95.08623	43.4
97.02895	30.4
97.06534	11.1
99.04463	8.7
105.07040	43.2
107.04951	16.9
107.08601	32.9
109.02886	100.0
109.06522	17.8
109.10162	15.2
111.04453	17.5
111.08096	10.4
115.03963	7.3
117.07043	9.6
119.08609	51.1
121.10128	39.6
123.08067	19.2
123.11713	9.4
125.09637	63.1
127.03923	85.3
131.08530	15.2
133.10146	42.2
135.08008	8.8
135.11688	15.8
137.05994	12.7
137.09641	7.0
143.08574	12.9
145.04912	8.1
145.10162	15.7
147.08041	20.1
147.11707	12.3
149.09625	10.5
151.11244	10.6
153.05452	10.4
157.10088	11.1
159.11696	16.0
161.09645	18.2
161.13228	7.6
163.03894	6.0
165.09183	20.2
166.52937	6.4
167.07034	12.8
175.11214	9.3
179.10759	11.9
183.11794	7.2
189.09091	16.4
193.12260	15.1
207.10162	26.4
209.11728	8.8
211.13213	11.3
223.41115	6.4
225.11211	49.7
227.12656	7.0
247.17047	10.2
267.15732	9.8
278.27567	6.4
283.15411	7.0
310.18085	6.0
331.19009	7.3
349.20239	16.2
350.34531	6.5
393.26437	7.9
457.22052	15.6
493.27859	22.0
511.09995	6.6
511.21536	42.1
511.29465	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	511.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57438	1.8
56.96561	8.2
57.03442	2.6
57.64739	1.9
69.03425	5.8
69.37675	19.5
74.09763	1.7
84.08201	1.6
85.02905	10.9
87.04471	2.0
87.42151	1.7
89.90165	1.8
97.02917	5.9
98.97593	10.8
102.87054	1.7
115.02373	2.0
115.03943	1.8
116.98627	6.6
119.01892	8.8
119.04955	3.4
124.93452	1.9
127.03907	10.2
128.98599	3.1
131.01933	6.4
133.03505	3.4
134.99687	5.3
135.05080	2.8
137.04613	3.3
140.06798	5.0
141.07074	2.2
143.00192	2.2
143.01909	5.8
145.03497	5.4
146.99631	4.1
147.04398	7.5
151.04518	1.9
152.05724	2.8
155.01894	8.2
158.99654	4.0
159.05057	11.3
161.01256	6.8
161.02969	7.5
171.05000	11.2
173.02985	14.6
173.06627	2.5
175.02654	1.9
177.00711	5.2
177.06078	2.9
182.99590	3.3
185.02956	3.5
187.04483	3.1
188.97105	2.3
189.06117	7.6
191.05940	2.1
193.15970	2.2
201.00676	14.1
201.02293	1.9
201.06097	7.0
203.02318	3.1
203.04089	6.2
203.07787	1.9
205.05521	4.5
213.06152	4.5
217.03996	2.2
219.01776	10.4
219.07063	3.1
221.05029	18.0
237.02892	10.9
245.05124	2.1
255.03978	2.5
261.08182	28.9
273.07355	2.7
279.09241	37.9
295.07068	6.9
299.05991	2.5
302.10791	2.0
335.10114	2.9
345.10419	4.1
361.57687	1.7
369.05035	2.6
393.12378	100.0
393.37442	2.5
394.12640	3.9
409.10062	7.4
451.11646	1.8
511.14206	2.3
512.08008	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.05029	1.0
57.07071	2.9
57.37470	0.5
58.06601	1.4
60.08161	14.0
62.06076	0.9
67.05504	0.9
67.51454	0.5
69.07056	1.2
70.99950	0.9
71.07362	5.7
71.08614	1.8
81.07040	1.7
83.08610	0.6
85.10174	1.2
86.09701	44.5
95.08591	1.4
97.10197	0.6
98.98463	2.7
104.10738	78.0
109.10148	1.1
121.28009	0.4
124.99999	25.6
163.01541	0.8
184.07330	100.0
228.41116	0.5
248.03998	0.5
258.11087	0.7
280.13705	0.5
288.01846	0.5
327.29001	1.3
337.58188	0.6
433.26892	0.7
492.34518	7.6
510.35538	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.6
56.96571	3.5
57.06818	4.0
57.07076	44.3
61.02929	3.0
62.65066	2.1
67.05515	8.1
69.07076	8.1
71.08640	31.9
71.58113	3.2
81.07063	15.0
83.08627	14.6
85.02916	3.9
85.10172	19.5
86.09721	7.4
95.08609	30.2
97.10175	8.5
104.10712	12.5
104.93666	2.7
108.87859	2.1
109.10159	10.8
111.11745	3.2
116.24714	2.1
119.08565	2.8
123.11731	5.5
127.03970	3.1
137.13307	5.0
148.48164	2.3
161.01256	6.4
184.02838	2.3
184.07329	10.7
200.10701	2.0
239.23674	36.0
248.08905	2.4
257.24802	5.5
313.27399	100.0
331.28433	24.2
383.27869	5.2
401.29129	7.8
433.76013	2.2
445.24249	3.6
461.22226	3.3
508.91772	2.3
510.36087	8.3
538.35413	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3556
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05504	0.5
56.05035	1.4
57.07073	3.4
58.06598	1.4
60.08161	14.9
67.05481	1.1
69.48119	3.8
71.07375	6.1
71.08622	2.3
72.61058	0.4
81.07053	1.1
83.08623	0.5
85.10181	1.1
86.09705	47.8
95.08599	0.9
98.98458	3.2
104.10744	100.0
109.10126	0.8
123.11723	0.5
125.00007	27.1
163.01537	0.6
184.07341	97.9
225.75719	0.4
255.25220	0.5
258.11148	1.0
313.27533	1.0
327.28983	2.0
433.27118	0.6
437.49786	0.5
492.34500	9.2
510.35562	45.0
511.35815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78475	4.6
53.03921	4.2
55.05521	23.1
57.03416	4.6
58.83113	4.3
59.04990	8.3
67.05216	4.9
67.05505	52.7
69.07069	26.4
71.04976	4.0
71.58463	9.0
79.05499	36.7
81.07053	62.0
83.04978	10.7
83.08620	15.6
85.06536	7.6
91.05478	55.3
93.07040	62.3
95.04961	13.8
95.08607	85.2
97.02815	6.1
97.06536	11.1
103.05479	5.4
105.07033	75.2
107.04939	5.3
107.08599	70.1
109.06540	9.5
109.09448	6.1
109.10156	64.7
111.04436	35.0
111.08062	10.7
113.09600	5.8
116.04178	4.2
117.07008	18.1
119.08577	100.0
121.06499	8.3
121.10155	39.3
123.08035	11.7
123.11707	23.2
125.05957	7.4
125.09630	8.4
129.06967	11.1
131.08624	26.5
133.06511	5.9
133.10143	92.2
135.08047	12.1
135.11691	18.1
137.06006	5.2
137.09612	10.5
139.07539	4.5
141.06970	8.1
142.07796	8.2
143.08548	30.8
145.10114	45.7
147.08096	6.0
147.11690	60.8
149.13263	9.7
151.07477	4.5
151.11139	6.1
155.08572	12.6
156.09338	8.5
157.10123	42.3
159.11694	49.3
161.09633	11.8
161.13251	25.3
163.11237	7.5
168.09383	6.7
169.10153	11.7
170.10878	7.3
171.11716	28.2
173.09593	12.1
173.13162	24.6
175.11256	6.5
175.14897	11.0
179.10643	12.3
181.10089	7.9
183.11639	23.6
185.09535	6.1
185.13264	17.7
187.11153	18.0
187.14804	12.7
189.16360	11.4
191.10564	6.7
193.05040	5.0
197.13275	18.3
199.11171	10.0
199.14810	24.2
201.12741	15.3
201.16391	18.2
205.12202	14.6
211.11159	10.4
211.14781	10.5
213.12730	10.9
213.16403	9.4
215.17981	5.8
217.12279	8.0
225.12735	12.5
227.14351	8.0
229.12260	12.3
231.13753	8.3
237.07550	7.9
239.14330	6.5
239.18013	12.3
241.15805	4.9
243.13799	22.6
253.19534	17.5
255.17609	6.8
257.18973	9.1
259.16983	6.5
263.18024	5.0
267.15875	5.9
271.20575	6.4
275.16019	5.2
275.20047	24.0
281.18997	16.9
299.20114	59.1
317.21170	59.6
358.16412	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	510.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	24.0
57.03436	6.3
59.05007	15.2
59.33234	5.0
67.05490	36.5
69.03409	7.1
69.07063	24.4
71.04988	8.0
71.59571	8.0
79.05489	34.0
81.07047	46.7
83.04986	7.3
83.08617	13.3
85.02892	8.5
85.06564	7.5
91.05463	42.6
92.05857	6.1
93.07037	40.5
95.04972	12.7
95.08594	68.5
97.02880	8.9
97.06545	14.2
97.10177	7.3
99.04417	6.2
105.07025	64.8
107.04955	8.4
107.08607	54.8
109.06563	9.3
109.10149	47.3
111.04432	26.3
111.08081	12.2
115.05377	5.7
116.98664	7.8
117.07024	19.7
119.08572	100.0
121.06493	12.7
121.10133	40.2
123.08076	10.8
123.11723	15.8
125.05943	9.2
129.07008	11.3
131.08569	19.8
133.06526	7.3
133.10130	62.1
135.08063	14.7
135.11696	18.7
137.09644	7.2
139.07562	6.1
139.81770	5.5
143.08585	22.0
145.10120	47.2
147.08064	6.0
147.10652	6.6
147.11639	34.4
149.05875	6.7
149.09605	6.1
149.13239	9.3
151.11200	14.4
155.08531	15.2
157.10118	30.2
159.11673	45.6
161.09564	8.3
161.13255	24.4
163.14841	13.0
169.10115	14.9
170.10909	8.3
171.11662	25.6
173.09601	11.1
173.13255	19.6
175.14891	8.8
179.10843	6.5
183.11693	13.6
185.13272	13.2
187.11145	15.7
187.14833	13.1
189.16342	10.0
191.10664	8.5
195.11555	6.6
197.13289	25.4
199.11276	5.6
199.14876	19.1
201.12677	7.3
201.16467	14.2
203.10748	7.2
205.12267	10.6
211.14816	6.5
213.12704	9.3
213.16357	8.6
215.17899	7.3
217.12309	7.0
221.13120	6.2
225.12717	8.6
227.14249	6.0
229.12154	7.6
231.13934	5.4
239.14261	7.9
239.17917	11.5
243.13806	15.6
253.19496	8.7
257.18875	12.5
259.16769	8.0
273.18286	5.3
275.20044	29.9
281.18973	9.0
299.20105	56.5
317.21103	74.8
510.30170	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	510.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.9
57.03430	5.4
57.07055	5.5
59.05005	8.0
65.03933	4.1
67.05499	52.1
69.03416	5.3
69.07066	20.7
71.04996	5.3
71.57851	6.1
77.93583	4.8
79.05489	21.3
81.07056	49.7
83.04980	10.5
83.08614	15.2
85.06529	6.7
91.05470	33.6
92.55083	4.2
93.07036	47.1
94.07898	4.1
95.04982	9.2
95.08597	81.8
97.06514	7.8
97.10147	5.3
105.07025	74.9
107.04976	9.5
107.08588	59.1
109.06528	8.1
109.10157	56.9
111.04436	31.9
111.08072	10.9
113.09650	7.4
117.07016	11.6
119.08572	100.0
121.06499	15.0
121.10143	50.4
123.08050	9.0
123.11674	19.1
125.06011	5.5
129.07008	8.2
131.08540	26.9
132.21951	4.4
133.06480	5.0
133.10124	80.8
135.08061	5.1
135.11665	23.7
135.88847	4.0
137.09627	10.9
139.07509	7.9
141.06985	5.1
142.07793	10.1
143.08534	20.7
144.09319	4.9
145.10107	47.3
147.08096	8.5
147.11682	63.3
149.09657	8.8
149.13249	6.2
151.07561	5.4
151.11194	12.5
153.06984	7.0
155.08530	12.0
156.09294	7.0
157.10141	35.1
159.08008	5.1
159.11671	46.2
161.09645	7.7
161.13260	31.5
163.07567	5.7
163.11198	4.9
163.14828	6.0
165.09140	5.0
169.10114	14.0
171.11658	26.0
173.09674	12.1
173.13289	35.6
175.11156	6.7
175.14865	8.9
179.10654	8.1
181.10092	5.0
183.11696	18.9
184.12514	4.8
185.09602	4.3
185.13179	19.9
187.11192	15.7
187.14841	13.1
188.80716	3.8
189.09012	5.0
189.16356	12.1
191.10692	8.4
197.13228	18.7
199.11223	9.8
199.14841	24.5
201.12746	9.7
201.16438	28.9
203.10634	10.6
205.12250	11.1
211.11172	15.0
211.14839	12.9
213.12762	17.3
213.16396	10.3
215.14352	5.8
217.12201	11.4
219.13843	9.9
225.12712	16.4
229.12184	15.1
231.13727	7.1
233.15433	5.0
237.16234	5.4
239.14322	6.2
239.17934	12.7
243.13869	28.9
253.19493	14.0
257.15399	9.7
257.19034	11.5
259.16919	9.0
271.20605	8.1
273.18433	5.7
275.20132	19.0
281.18936	20.7
299.19968	50.2
317.21082	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99839	2.6
53.03922	4.6
55.01868	17.4
55.05500	10.3
57.03433	6.0
57.07048	3.2
59.04995	3.0
61.02925	5.8
67.05508	17.9
69.03430	14.7
69.07066	19.4
71.04993	62.3
71.59816	3.7
73.02909	3.6
79.05519	14.9
81.03413	15.4
81.07056	27.6
83.08620	12.9
85.02900	66.3
85.06544	21.1
87.00817	10.4
91.05487	11.6
93.07037	20.7
95.04974	14.5
95.08613	46.8
97.02903	17.6
97.06530	88.1
97.10171	5.0
99.04435	8.2
99.08092	8.7
100.11246	5.3
104.71177	3.3
105.01884	13.4
105.07059	3.4
107.08588	20.5
107.45549	2.6
109.02887	22.0
109.10159	35.3
111.04420	3.7
111.08052	5.6
113.09617	3.2
116.42213	3.4
119.08572	7.0
121.06480	3.0
121.10130	20.3
123.11716	22.5
125.05966	3.5
125.09634	6.4
127.03920	35.6
127.11147	4.9
129.01822	3.7
131.08580	3.9
133.10121	5.1
135.11674	19.7
137.05991	3.5
137.13217	2.7
139.07574	2.7
139.11226	3.3
141.11511	2.7
145.04950	20.2
145.10088	4.0
147.07999	4.3
147.11613	2.8
149.13203	6.6
151.11140	3.5
159.02904	11.1
159.11688	4.5
163.03862	4.0
163.14815	4.6
165.09113	22.2
166.09430	8.5
167.07043	6.2
177.05560	3.4
182.15440	5.6
187.14771	2.8
189.16367	3.4
191.10675	3.3
191.17958	17.3
209.19019	60.2
210.14969	3.4
227.20041	100.0
231.04890	6.8
233.19006	6.0
249.18431	3.4
251.20088	18.4
269.21063	14.6
272.43518	3.1
275.20163	3.1
293.20874	5.7
297.21600	2.9
304.94000	3.0
311.22229	3.8
317.21124	34.1
421.22156	4.5
439.22797	5.6
475.25229	30.6
510.21460	6.3
511.12381	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	510.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99839	2.6
53.03922	4.6
55.01868	17.4
55.05500	10.3
57.03433	6.0
57.07048	3.2
59.04995	3.0
61.02925	5.8
67.05508	17.9
69.03430	14.7
69.07066	19.4
71.04993	62.3
71.59816	3.7
73.02909	3.6
79.05519	14.9
81.03413	15.4
81.07056	27.6
83.08620	12.9
85.02900	66.3
85.06544	21.1
87.00817	10.4
91.05487	11.6
93.07037	20.7
95.04974	14.5
95.08613	46.8
97.02903	17.6
97.06530	88.1
97.10171	5.0
99.04435	8.2
99.08092	8.7
100.11246	5.3
104.71177	3.3
105.01884	13.4
105.07059	3.4
107.08588	20.5
107.45549	2.6
109.02887	22.0
109.10159	35.3
111.04420	3.7
111.08052	5.6
113.09617	3.2
116.42213	3.4
119.08572	7.0
121.06480	3.0
121.10130	20.3
123.11716	22.5
125.05966	3.5
125.09634	6.4
127.03920	35.6
127.11147	4.9
129.01822	3.7
131.08580	3.9
133.10121	5.1
135.11674	19.7
137.05991	3.5
137.13217	2.7
139.07574	2.7
139.11226	3.3
141.11511	2.7
145.04950	20.2
145.10088	4.0
147.07999	4.3
147.11613	2.8
149.13203	6.6
151.11140	3.5
159.02904	11.1
159.11688	4.5
163.03862	4.0
163.14815	4.6
165.09113	22.2
166.09430	8.5
167.07043	6.2
177.05560	3.4
182.15440	5.6
187.14771	2.8
189.16367	3.4
191.10675	3.3
191.17958	17.3
209.19019	60.2
210.14969	3.4
227.20041	100.0
231.04890	6.8
233.19006	6.0
249.18431	3.4
251.20088	18.4
269.21063	14.6
272.43518	3.1
275.20163	3.1
293.20874	5.7
297.21600	2.9
304.94000	3.0
311.22229	3.8
317.21124	34.1
421.22156	4.5
439.22797	5.6
475.25229	30.6
510.21460	6.3
511.12381	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	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01862	2.3
55.05508	1.1
57.03441	4.5
57.07065	1.5
61.02920	7.1
63.21400	0.9
67.05492	2.4
69.03430	14.2
69.07067	4.1
70.75349	1.4
71.01370	1.9
73.02915	5.8
79.05492	3.9
81.03421	5.2
81.07051	28.4
85.02903	100.0
87.04456	2.4
91.03941	5.2
91.05479	1.5
93.07037	2.5
95.01332	21.8
95.08610	9.8
97.02888	29.5
97.06556	1.1
99.00844	1.8
99.04461	3.0
101.02369	1.2
103.03912	4.2
107.08601	1.7
109.02860	8.5
109.10194	2.1
111.11718	6.5
113.02372	4.1
119.04995	1.0
119.08609	1.5
122.10641	0.9
125.09624	1.5
127.03913	35.3
131.03441	2.5
133.10120	1.5
135.11676	1.3
137.06000	1.1
137.13248	13.0
141.01826	78.6
145.04956	72.8
147.04449	2.1
147.11707	1.0
153.12677	1.2
155.14305	5.3
159.02896	17.0
159.04105	0.6
161.09689	1.0
163.06013	37.0
165.09073	1.3
177.03966	5.7
180.08641	1.1
193.85320	1.0
197.74072	1.0
225.11226	1.5
245.15237	0.9
247.65987	1.0
253.74292	0.7
263.16489	1.1
279.61523	0.9
285.05981	1.3
303.06979	0.9
321.08041	8.2
413.89789	1.0
510.21191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09798	0.7
53.03921	0.7
55.01864	1.6
55.05505	0.9
57.03441	4.3
57.07071	1.0
61.02925	4.9
64.33290	0.6
67.05495	2.0
69.03429	11.1
71.01360	1.1
71.04995	2.1
71.59348	1.3
73.02914	5.2
75.70342	0.7
79.05507	2.7
81.03438	3.6
81.07063	48.7
85.02910	100.0
86.66653	0.6
87.04456	1.4
87.42960	0.8
91.03954	4.1
91.05491	0.9
93.07051	1.4
95.01338	17.5
95.08611	6.7
97.02897	24.6
99.00839	2.2
99.04440	3.2
101.02393	1.5
102.87344	0.6
103.03967	3.4
105.07072	0.8
107.08614	1.1
109.02895	6.5
109.10161	1.1
113.02371	2.3
115.03976	0.8
119.08627	0.7
121.10144	1.2
123.00829	0.9
127.03926	30.5
131.03412	2.7
137.05939	1.0
137.13261	41.2
141.01836	69.3
145.04967	62.2
146.05222	1.0
147.04443	1.6
159.02885	13.9
163.06023	34.9
177.03903	4.1
177.33940	0.7
181.99319	0.7
204.08714	1.2
222.74257	0.7
227.73500	0.7
278.74319	0.7
285.06021	1.3
303.07178	1.6
305.11127	0.7
321.04422	0.9
321.08215	15.7
339.09338	4.7
349.08542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01865	2.1
55.05505	1.1
57.03417	2.9
59.05000	10.1
61.02929	4.9
67.05508	4.4
69.03427	13.0
69.07059	1.0
69.69241	2.0
69.69643	5.0
71.04993	16.9
73.02901	2.7
73.10414	0.9
76.07612	1.4
79.05496	5.4
81.03419	5.7
81.07054	21.9
83.04994	1.0
85.02905	68.1
87.04469	1.5
91.03941	3.7
91.05473	3.2
93.07043	13.2
95.04962	3.2
95.08604	2.7
97.02883	19.1
98.20741	1.2
99.04471	4.6
101.02372	1.3
105.07036	4.1
107.08598	14.0
109.02874	5.3
109.06513	8.8
109.09460	1.5
109.10156	20.8
111.08088	7.8
117.97186	0.9
118.55860	0.9
123.08092	1.2
123.11707	32.2
127.03916	18.2
133.10141	15.2
135.11694	2.2
138.43108	0.8
145.04951	24.5
151.11185	100.0
153.12721	5.2
163.03957	5.1
163.06020	13.1
169.12238	34.3
179.66051	0.9
183.68393	0.9
272.13623	1.0
289.09143	1.3
295.15500	4.7
313.16415	8.3
325.11224	7.5
331.17480	17.7
391.67691	1.0
503.18222	1.0
510.25293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01872	5.6
55.05511	2.9
57.03436	3.6
61.02921	3.0
65.03960	2.1
67.05494	4.1
69.03429	13.8
69.07033	1.4
71.04984	3.8
73.02913	4.7
79.05486	2.2
80.14812	1.4
81.03417	14.2
81.07053	4.1
83.08617	1.4
85.02904	39.6
87.00824	17.2
91.05479	100.0
93.07021	2.9
95.04952	2.0
95.08627	1.7
97.02280	2.9
97.02891	34.7
99.04462	8.9
99.05026	1.3
100.30939	1.3
101.59902	1.3
102.74501	1.4
105.01879	13.6
105.07024	1.6
107.04960	1.5
107.08567	2.1
109.02883	16.3
109.06556	1.8
117.01848	3.6
119.08609	2.0
125.09617	1.6
127.03913	39.6
129.01860	2.5
133.10130	1.9
137.02386	1.4
145.04967	25.1
159.02910	9.5
165.09178	1.5
213.04005	2.4
225.11203	2.4
229.60550	1.5
231.05023	5.5
233.78041	1.4
245.08200	2.8
269.17422	3.3
351.25305	3.2
369.26019	1.5
510.23465	1.7
510.35446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
54.44681	0.6
55.01867	1.4
55.05503	0.8
57.03434	0.8
61.02913	0.8
65.03934	2.2
65.57720	0.8
67.05507	0.6
69.03421	3.7
69.07050	0.8
69.66650	3.8
71.04972	0.9
71.12794	0.7
73.02919	1.5
81.03415	4.6
81.07065	1.1
83.08615	0.9
85.02422	1.0
85.02908	12.0
87.00823	4.3
91.05480	100.0
93.07059	0.9
97.02890	7.7
97.90217	0.5
98.21432	0.6
99.04446	2.6
100.11235	0.6
100.47500	0.7
105.01882	4.1
109.02879	6.4
115.03930	0.7
127.03918	13.7
145.04955	7.8
159.02855	3.0
165.09093	1.2
167.03415	3.7
171.08047	0.8
184.07330	0.7
191.30420	0.5
195.06645	0.7
213.03922	0.7
217.08653	0.8
225.11450	0.9
227.07066	1.2
231.05011	2.8
235.32794	0.5
239.51846	0.6
245.08176	1.7
253.69733	0.6
421.70660	0.7
492.22678	0.9
509.40747	0.8
510.23715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.6
53.07549	2.7
55.01867	8.8
55.05515	30.3
57.03423	7.8
57.07072	8.4
59.04982	3.8
65.03932	3.0
67.05164	3.2
67.05507	35.2
69.03425	9.8
69.07069	41.5
71.04984	9.6
71.08610	3.2
71.20948	7.0
71.36148	2.8
79.05499	32.1
79.73553	2.6
81.03418	32.2
81.07058	100.0
83.04971	10.5
83.08620	34.7
85.02908	23.1
85.06552	7.1
85.10171	2.6
91.05486	36.8
93.07050	31.3
93.65703	3.0
95.04977	22.4
95.08608	71.2
97.02871	11.8
97.06528	10.7
97.10179	17.5
98.97549	3.4
99.00806	4.3
99.08096	9.2
105.07034	29.5
107.04961	4.4
107.08610	24.5
109.02911	13.2
109.06496	6.8
109.10164	44.3
111.04461	4.7
111.08067	10.0
111.11726	14.3
117.06987	4.3
119.04948	3.4
119.08582	21.0
121.06483	8.0
121.10173	15.6
123.04410	8.7
123.08102	5.3
123.11711	31.4
125.09642	7.4
125.13271	14.9
127.03951	14.5
127.07546	5.2
129.05469	2.9
129.06999	6.2
131.08540	8.5
133.06464	4.1
133.10127	27.0
135.08020	3.6
135.11696	10.4
137.13258	20.1
138.80380	2.5
139.14789	4.7
143.08580	4.2
145.05005	3.5
145.10161	6.7
147.08031	4.9
147.11644	8.2
149.09650	5.3
149.13229	27.7
151.11140	5.3
151.14809	10.2
155.14297	5.9
157.10114	5.3
161.09631	12.1
163.11116	3.2
163.14819	7.0
165.09160	5.8
165.16391	8.5
167.14311	17.5
169.16064	3.1
175.11142	6.0
177.05460	9.4
179.10640	5.4
179.17955	3.3
189.09140	7.9
191.17979	3.2
193.12291	20.9
207.10184	8.6
209.11693	4.4
211.13283	24.1
219.21004	3.2
225.11243	16.0
227.12779	4.7
267.15805	3.1
275.27515	13.3
289.05161	8.5
293.28442	30.2
299.15012	2.8
311.29471	4.1
465.24393	3.3
491.21796	4.6
509.22681	27.0
509.27588	35.4
510.27930	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	509.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28969	0.9
53.03963	1.3
55.05507	12.8
57.03440	6.0
57.07070	2.7
67.05506	32.6
67.17471	0.9
69.06721	1.2
69.07072	14.2
69.66625	1.5
69.67036	5.5
71.04993	1.0
71.08619	1.2
79.05502	9.7
81.07060	35.3
83.04963	1.9
83.08626	6.6
85.43510	1.0
90.55939	0.9
91.05482	5.7
93.07056	8.0
93.96758	0.9
95.05012	1.1
95.08611	26.3
97.06525	2.8
97.10174	3.6
98.98468	32.1
105.07030	3.9
107.08583	7.7
109.10170	7.9
116.99551	1.5
119.08567	3.9
119.52853	1.0
119.86540	0.9
121.10145	4.0
123.11718	3.2
131.08592	1.0
133.10141	3.5
135.11697	2.9
137.13274	1.9
147.11697	2.7
149.13255	1.6
155.01057	12.3
161.13243	2.0
163.14923	1.4
173.02126	4.5
195.00334	2.0
229.04796	3.5
244.73781	0.9
245.22734	2.1
247.05829	2.7
263.23700	4.6
315.28094	1.1
337.27371	100.0
338.27682	1.3
473.26511	6.9
509.20212	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	509.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
56.44568	1.9
59.53485	1.9
67.05476	3.6
69.07084	2.3
70.49741	4.7
81.07058	4.2
91.05453	2.3
93.07012	3.6
95.08569	5.5
105.07027	5.6
107.08546	2.4
117.91471	2.1
119.08571	13.6
121.10171	2.3
123.04182	8.4
131.08614	3.5
133.10092	6.0
145.10068	5.1
147.11618	3.5
159.11679	6.3
187.00963	2.1
323.19873	14.6
409.23380	28.0
421.23328	4.6
423.25052	72.9
509.28647	100.0
510.28949	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	509.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23773	1.0
54.32419	0.9
54.38629	0.9
55.05510	12.6
57.03444	7.2
57.07067	2.1
58.33685	1.2
67.05129	1.4
67.05505	27.3
69.07066	14.4
69.88581	6.4
79.05496	9.1
81.07052	25.4
81.80359	0.9
83.08625	9.1
91.05466	5.6
91.27462	1.1
91.86060	1.2
93.07042	6.8
94.51654	1.0
95.08607	20.4
97.06534	1.7
97.10149	3.5
98.97855	1.8
98.98465	21.1
99.08083	1.2
99.41250	1.0
104.10761	2.1
105.07011	3.4
107.08575	4.9
109.10164	6.5
109.96613	1.0
116.99531	1.1
119.08582	3.2
121.10127	3.0
123.11691	2.8
132.30161	1.1
133.10101	5.0
135.11681	1.5
137.13290	1.5
137.91600	1.0
145.07143	1.1
147.11662	2.5
149.13213	1.3
155.01028	2.8
173.02101	4.6
184.07355	1.7
239.87817	1.1
245.22638	1.4
260.33813	1.0
263.23654	2.1
337.27362	100.0
338.27765	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.02541	0.7
55.05512	11.9
57.03437	8.2
57.07069	1.7
65.03928	0.6
65.17303	0.7
66.74554	0.7
67.05501	25.1
69.07063	16.9
69.58709	5.9
71.04988	1.0
79.05491	7.1
81.06576	1.4
81.07052	26.5
83.04956	0.9
83.08611	7.0
85.90284	0.6
91.05461	5.6
92.21574	0.7
93.07041	7.8
95.04930	1.0
95.08602	22.6
97.06508	2.6
97.10143	3.2
98.98463	20.6
98.99084	0.5
99.08044	0.9
105.07043	4.3
107.08588	5.5
109.10144	7.6
119.08558	3.6
120.61799	0.7
121.10103	3.3
123.11687	2.7
125.09611	0.8
133.10115	4.2
135.11682	1.8
137.13223	2.0
140.01018	0.9
147.11684	1.7
149.13257	1.6
151.14824	0.8
155.01001	3.2
161.13269	1.0
163.14848	1.1
173.02130	4.2
175.14839	1.2
203.07890	0.8
245.22626	1.7
247.05829	0.9
263.23730	1.9
337.27347	100.0
338.27792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2751
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
55.01860	4.4
55.05517	12.9
57.03412	3.5
58.77508	2.4
59.03094	2.5
61.76248	2.7
67.05499	18.2
69.03414	4.5
69.07070	5.5
69.77249	2.6
71.60072	5.9
71.67846	2.6
72.08157	76.3
79.05494	13.0
81.03410	8.1
81.07056	11.9
83.04964	4.8
83.08613	5.2
85.02912	3.0
91.05484	17.3
91.85698	2.9
93.07040	10.1
95.04953	5.0
95.08621	5.1
97.02882	3.8
105.07037	6.5
107.04964	5.9
107.08595	5.5
109.10161	9.9
117.74707	2.7
119.04916	6.2
119.08598	4.9
120.08104	91.6
121.10132	4.1
133.10117	7.5
135.11693	2.9
136.07578	100.0
145.10152	6.0
150.09190	3.6
158.40868	3.3
163.11272	5.0
171.14941	13.2
173.11719	3.7
174.12810	3.4
190.25685	2.8
193.12271	3.2
199.14294	5.9
209.11794	3.6
219.14931	22.3
235.14452	9.8
247.14371	25.3
259.09888	3.1
263.13898	9.3
283.14362	15.5
301.19284	5.4
311.13821	17.0
346.21164	15.2
362.20578	6.6
410.20651	15.9
509.27783	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	509.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46652	0.6
53.03934	1.1
55.05507	3.6
57.01801	0.6
57.03409	0.7
57.07060	1.1
59.46353	0.6
67.05499	6.3
69.03429	0.8
69.07077	7.0
71.04976	1.2
71.08607	0.8
79.05492	4.1
81.03409	2.5
81.07058	15.1
83.04985	1.7
83.08611	4.1
83.09042	0.7
85.02906	2.7
85.06535	2.3
91.05486	4.3
93.07040	7.4
95.04971	2.1
95.08607	10.0
96.05058	0.6
97.02881	1.7
97.06516	1.2
97.10163	3.1
98.20754	1.2
99.04469	0.7
99.08068	1.0
105.07047	4.0
107.04958	1.3
107.08597	5.8
109.06532	1.5
109.10165	7.5
111.08101	0.8
111.11711	2.3
117.07014	0.8
119.08588	3.3
120.08123	0.9
121.10155	2.6
123.08089	0.9
123.11711	4.3
125.09616	0.9
125.13209	1.1
127.03920	1.6
127.11189	0.8
131.08546	1.3
133.10124	2.5
135.08064	0.7
135.11681	2.9
137.13235	2.2
138.06389	0.6
145.10101	1.3
147.08044	0.8
147.11707	1.4
149.13240	2.6
151.14838	1.4
153.12761	0.9
155.14313	1.7
157.10136	0.7
163.11200	1.8
165.16354	0.7
167.07095	1.1
167.10718	0.9
167.14339	1.1
182.83682	0.6
185.04234	0.7
191.17986	0.7
193.12289	0.9
203.05302	3.1
209.11778	1.3
211.13120	0.9
227.12753	1.3
233.54681	0.7
240.59709	0.6
243.04681	0.7
245.06331	6.7
247.91925	0.6
249.25832	0.7
275.27338	1.8
281.28342	0.9
287.03726	10.5
289.05304	77.8
293.28348	6.6
299.14536	0.7
311.29578	1.1
367.22574	1.0
381.30893	0.7
385.23245	0.8
459.27557	0.7
465.24652	13.6
491.22031	4.7
509.23505	100.0
510.23892	1.7
536.43817	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	509.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05513	2.4
57.03427	0.7
63.25822	0.8
67.05511	4.8
69.03436	1.5
69.07074	2.9
69.20779	0.7
69.69662	4.7
70.89454	0.7
71.05003	3.5
79.05091	0.6
79.05486	3.5
81.03429	4.1
81.07062	9.1
83.04994	1.6
83.08629	1.5
85.02930	1.7
91.05498	2.6
93.07040	3.2
93.50957	0.7
94.02139	0.8
95.04951	1.6
95.08633	4.5
97.02901	1.9
97.06552	1.1
97.10136	1.3
105.07053	2.2
107.04966	1.4
107.08611	3.7
109.06486	1.2
109.10188	3.3
111.04423	0.9
115.05456	0.7
115.40199	0.7
117.06976	0.8
119.01914	1.6
119.08624	3.0
121.10121	1.5
125.09624	1.1
131.08601	1.2
133.10194	1.2
135.08083	0.9
135.11761	1.5
143.01927	1.0
143.08577	0.8
145.10129	1.7
157.03511	1.0
157.10202	0.8
159.11717	0.9
161.02988	1.3
162.11864	0.7
163.03917	0.8
163.11238	2.6
191.10587	0.8
203.05374	1.7
209.11600	0.8
227.12793	1.5
245.06299	5.9
246.81221	0.9
259.09668	1.2
261.18365	0.9
271.04111	0.9
287.03787	8.5
289.05304	100.0
423.23358	0.9
453.73529	0.7
465.24515	7.3
509.23456	83.7
510.23911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21164	0.5
55.05502	1.2
57.03421	0.5
57.83204	0.5
58.09370	0.5
58.12218	0.5
63.32818	0.5
65.19450	0.5
67.05491	1.3
69.07068	1.1
69.45496	4.5
79.05473	0.8
81.03400	0.6
81.07040	2.1
83.04964	0.5
83.08643	0.5
85.06588	0.5
91.05487	1.2
93.07030	1.6
95.04936	1.3
95.08598	1.5
97.02878	0.7
97.10132	0.8
105.07024	1.0
107.08603	1.8
109.10146	1.3
119.08565	1.5
121.10129	1.4
123.11692	0.7
127.03886	0.7
133.10114	1.4
147.11661	1.0
159.11719	0.5
162.54422	0.5
163.03938	1.3
163.11230	0.5
185.04198	0.9
191.07068	0.6
199.05913	0.6
202.48859	0.5
203.17917	0.6
227.05296	1.7
242.78676	0.7
243.04750	0.6
245.06305	1.3
261.18311	2.5
287.03705	1.5
289.05264	8.8
329.20996	0.8
417.98825	0.5
423.23505	8.4
447.23325	0.5
465.24561	18.9
491.22406	1.4
509.23532	100.0
510.23615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
67.05493	2.1
69.07080	0.8
70.47195	1.6
79.05495	1.5
81.03381	0.6
81.07077	2.2
81.07465	0.4
83.08607	0.8
91.05479	1.5
93.07030	1.9
95.04970	0.5
95.08595	1.6
97.02875	0.5
97.06525	0.4
97.10222	0.6
98.20776	0.5
105.07024	3.5
107.08583	1.5
109.06530	0.5
109.10152	0.9
111.04451	0.4
117.06940	0.5
119.08581	1.5
121.10143	1.4
125.09616	0.7
127.03925	0.5
131.08597	0.5
133.10104	2.0
135.11697	0.6
145.10124	1.0
147.11679	2.2
161.13266	1.2
163.11107	0.5
185.04277	0.5
193.04984	0.7
197.27219	0.4
203.05302	1.1
203.17934	3.4
209.11713	1.2
227.05235	1.3
227.12805	0.7
245.06314	4.5
261.18118	0.6
271.04169	0.9
283.15457	0.5
288.56723	0.4
289.05292	16.6
423.23566	6.5
430.12415	0.5
447.23123	0.5
456.40652	0.5
462.70004	0.5
465.24609	14.8
491.22171	2.8
509.23529	100.0
510.23767	1.3
526.41248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
56.05023	0.3
57.03422	0.2
58.06606	0.5
58.80924	0.2
60.08160	5.6
67.05505	1.6
69.07069	1.2
71.07378	2.6
71.59615	0.4
79.05494	0.8
81.07051	1.6
83.08615	0.6
86.09702	28.7
88.53802	0.2
90.99684	0.2
91.05476	0.4
93.07026	1.0
95.08614	1.3
97.10172	0.2
98.98457	3.1
104.10737	2.9
107.08543	0.2
109.10149	0.6
116.99435	0.2
119.08577	0.4
121.10126	0.3
123.11809	0.2
124.99998	18.6
126.53949	0.2
135.11674	0.3
149.13316	0.2
184.07333	100.0
185.07712	0.3
260.88611	0.2
268.68381	0.2
336.26123	1.1
337.27319	2.3
339.28131	0.3
420.86713	0.3
490.32819	1.3
508.18945	0.4
508.34030	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	509.2361
Annotation	Difluprednate
Peak:m/z	Relative Intensity
54.95698	0.9
62.94659	1.0
64.81513	1.0
67.05490	2.6
69.03410	1.5
69.07053	1.1
70.73911	3.1
71.04974	1.1
79.05496	1.9
81.03410	3.8
81.07043	4.2
85.06525	2.2
91.05475	5.7
93.07040	2.3
95.04967	1.1
95.08602	2.7
105.07015	2.8
107.08586	1.5
109.02867	3.2
109.10158	1.6
111.04445	1.3
119.08578	4.5
121.10084	2.2
127.03918	7.1
133.10127	2.2
147.08086	1.6
147.11775	1.1
179.10753	1.8
183.92979	1.2
185.04195	1.3
189.09105	1.3
201.03702	1.2
203.05263	3.3
207.10158	2.6
208.17693	1.6
225.11160	5.2
225.18341	1.3
227.05301	1.1
243.04794	6.1
245.06299	6.3
261.18277	4.6
271.04282	3.1
287.03726	50.6
289.05298	56.8
322.35593	1.0
357.95120	1.1
423.23624	1.7
425.17624	1.5
447.23349	5.2
465.24588	10.4
491.22495	100.0
492.22784	1.5
509.23535	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.5
56.05040	1.5
56.96527	1.3
57.03453	1.9
67.05499	1.6
69.03433	12.2
69.57091	10.8
71.04993	21.2
72.08161	1.9
79.05499	3.5
81.03425	6.6
83.04997	2.3
84.04524	1.9
85.02914	14.8
86.09712	2.5
87.04482	1.8
89.06037	83.3
89.40139	1.2
90.66785	1.2
91.05497	4.5
93.07059	2.6
95.04975	2.6
97.02901	32.9
97.03522	2.0
98.09730	1.1
99.04483	5.1
101.02397	1.2
103.05492	4.3
105.07053	8.6
107.04968	21.5
107.08627	2.3
108.04499	5.5
109.02890	10.9
109.06550	1.3
111.04472	2.7
111.84969	1.4
115.05477	1.7
119.04964	3.0
119.08672	1.4
120.08118	2.6
121.06506	1.7
123.04517	1.5
124.05230	1.5
125.06055	1.3
127.03919	15.2
131.04945	2.6
133.05000	1.4
133.06508	4.0
133.10152	1.4
134.06023	2.0
135.06534	9.2
135.08047	7.3
135.11670	1.5
137.05991	4.0
145.02966	1.5
145.04970	10.6
147.04425	6.8
149.06137	1.3
152.07109	5.1
161.05978	8.3
163.07529	22.5
163.08798	1.8
167.07047	56.6
170.08151	2.5
175.07719	1.3
178.00909	1.2
178.16843	1.6
179.10695	1.4
181.08643	5.5
184.13339	1.9
193.08580	8.4
195.10194	22.0
197.11809	3.3
203.42451	1.4
213.11221	100.0
223.09695	2.0
237.11217	2.2
247.11940	1.4
255.12285	1.5
261.09753	4.1
285.11395	2.0
303.12207	7.7
321.13409	8.8
394.42288	1.3
407.99344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
54.36958	1.0
55.01870	2.4
55.05521	1.3
61.02924	2.0
67.05505	2.4
69.03438	10.2
69.07066	1.4
71.04995	1.3
71.59408	1.1
71.59828	1.5
73.02895	1.4
79.05506	7.6
81.03426	7.5
81.07063	100.0
85.02420	1.8
85.02907	24.3
87.00829	9.3
91.05493	2.2
93.07050	2.4
95.08606	12.0
97.02907	18.5
97.06542	3.5
99.04456	5.2
103.05448	1.0
105.01876	26.6
105.07005	1.4
107.08546	1.2
109.02886	9.1
109.10128	2.7
117.01788	1.2
119.08573	1.7
121.10155	1.9
127.03925	32.5
129.01787	1.3
133.10208	1.2
137.13269	24.3
145.04971	11.5
159.02913	3.9
163.03960	2.2
173.02365	1.7
189.16425	1.0
197.04460	4.2
213.04025	2.4
215.07069	1.3
225.18509	1.7
231.05034	16.0
249.06078	7.6
259.09692	1.8
260.09988	3.9
311.18521	2.7
319.06604	4.0
329.19556	1.2
337.07712	2.7
361.74545	1.1
372.11404	1.9
469.94528	1.1
472.40396	1.2
508.15231	1.4
508.22107	2.1
509.14828	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93131	0.6
53.03931	1.3
55.01866	0.8
55.05495	2.4
56.61007	0.7
56.64577	0.6
57.03445	3.3
67.05504	3.4
69.03432	4.9
69.07082	3.4
69.97110	1.2
69.97501	2.0
71.01367	1.0
71.04980	1.9
76.79143	0.6
79.05494	5.5
81.07062	7.5
82.07405	0.7
83.04963	1.9
85.02905	8.7
85.06569	1.0
87.04452	1.1
91.05493	4.0
93.07047	20.2
95.04958	1.9
95.08601	3.3
97.02895	4.0
97.06544	3.1
98.97588	0.7
99.00827	1.6
99.04439	3.3
101.06014	0.9
103.03915	1.2
105.07036	15.6
107.04929	0.8
107.08600	34.4
109.06526	1.4
109.10145	2.1
111.04414	1.0
111.08083	1.4
113.02359	1.6
117.05472	0.6
117.07005	2.5
119.08581	6.4
119.31801	0.7
121.06516	14.0
121.10149	13.9
123.11694	1.2
124.12060	0.6
125.09625	1.2
127.03908	1.1
129.05492	1.1
130.07790	0.6
131.03419	1.0
131.08653	1.4
133.10077	0.8
135.08081	7.3
135.11688	8.4
137.13237	0.7
141.01848	0.7
143.08607	0.6
145.04993	0.7
145.10132	17.3
147.11700	3.4
149.06021	1.0
149.09624	9.8
149.13297	0.9
163.11195	33.0
166.02480	0.7
173.09628	2.6
181.12231	2.9
191.10686	23.1
203.56932	0.6
209.11769	3.6
219.08688	0.7
227.12770	3.2
265.14340	6.5
283.15411	100.0
284.15799	0.9
323.70459	0.7
325.16519	0.7
367.05502	0.6
423.16577	0.8
427.19681	0.9
437.17844	0.9
455.19168	4.1
473.20276	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	508.203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02954	0.3
62.07812	0.2
69.03438	1.6
69.58513	1.5
69.58926	0.5
70.06612	0.4
72.08172	0.4
76.04012	0.7
76.04453	0.2
76.07646	0.6
79.60743	0.3
81.03422	0.4
83.28927	0.3
84.85876	0.3
85.02902	2.2
87.04471	0.5
89.03908	3.9
91.05486	0.7
92.05004	0.8
93.07035	0.5
95.04976	0.4
97.02885	1.1
98.97622	0.3
103.05468	0.3
107.04950	0.4
107.08589	0.3
117.03379	15.3
119.04913	0.4
121.02901	0.3
123.04441	0.3
127.03934	1.3
134.03651	0.9
135.04494	1.3
135.05365	0.3
145.02847	44.9
146.03116	0.4
147.04405	1.2
148.04793	0.3
149.05977	6.8
151.07613	0.3
153.05478	0.8
154.04988	12.3
163.03897	1.0
177.05469	100.0
178.05806	1.2
186.05528	1.1
195.06528	1.1
215.06953	0.3
243.06584	0.4
266.00586	0.3
274.41483	0.3
280.08148	2.4
298.09235	0.6
329.12225	0.9
335.96439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3688
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
50.88340	2.6
51.43696	2.6
53.03941	2.7
55.05517	30.2
57.03434	10.3
57.07073	9.4
59.05004	4.1
67.05509	100.0
69.07079	17.5
69.96419	13.0
71.04984	3.7
71.08640	7.1
77.67674	3.1
79.05504	33.4
81.07066	71.7
83.05014	3.1
83.08623	19.4
85.06585	3.9
91.05491	23.9
93.07035	36.8
95.08609	48.4
97.10182	15.1
100.18060	2.6
105.07031	19.1
107.08591	31.1
109.10163	70.7
111.08074	6.2
117.07043	6.3
119.08601	23.9
121.10154	19.7
123.11720	11.0
125.09650	14.1
131.08595	14.8
133.10162	15.3
135.08025	3.0
135.11746	16.5
135.70699	2.7
135.88721	2.8
137.09631	5.9
137.13297	3.7
143.08649	6.0
145.10101	16.5
147.11729	11.8
149.13306	9.6
157.10089	4.6
159.11685	12.6
161.13280	5.9
163.14867	5.9
173.11732	15.0
173.13326	11.5
175.14801	5.6
187.14838	6.7
189.11250	13.1
195.00299	21.7
197.13240	3.1
201.16403	3.5
227.12807	9.3
229.14366	46.6
243.20979	5.1
259.20480	4.3
261.22156	25.2
265.10321	3.0
279.22989	3.8
313.27374	5.2
317.24850	5.7
335.25897	29.7
397.31104	10.9
415.32074	9.5
433.32938	4.7
435.31259	3.5
471.34543	5.6
489.35809	75.4
507.26971	24.0
507.36691	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3686
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
52.80353	1.1
53.00330	1.2
53.03947	3.1
55.01874	2.3
55.05261	2.1
55.05511	29.9
57.03423	8.2
57.07076	6.8
59.04998	3.0
65.03945	3.6
67.05505	100.0
69.03427	2.0
69.07067	18.3
70.54900	2.4
70.55267	4.2
71.04995	3.7
71.08626	2.8
74.42889	1.2
79.05494	34.0
81.07057	67.6
83.04986	3.5
83.08623	17.1
83.57526	1.2
85.06548	4.2
85.10157	2.2
90.98032	1.3
91.05476	20.2
91.39139	1.2
93.07047	36.3
95.04975	3.6
95.08610	50.5
97.06516	3.3
97.10174	16.4
99.08086	1.9
105.07026	17.5
107.08591	26.5
109.06507	1.3
109.10157	62.8
111.08081	3.7
114.23627	1.3
117.07013	8.1
119.08587	19.3
121.10146	19.7
123.08077	2.3
123.11713	7.5
125.09619	9.3
129.06995	1.9
131.08549	13.1
133.10133	15.9
135.08032	3.0
135.11691	12.8
136.06204	1.6
137.09645	3.5
137.13263	3.4
139.11154	2.2
140.45462	1.3
143.08551	3.9
145.10130	12.1
147.11694	12.9
149.13258	7.1
155.10674	1.4
157.10168	3.7
159.11691	10.0
161.13275	4.6
163.11282	2.0
163.14832	3.5
169.10088	1.7
171.11728	2.5
173.11754	13.5
173.13312	7.0
175.14835	3.9
183.11743	1.6
185.13246	3.6
187.14841	5.1
189.11237	7.2
197.13382	1.8
199.14816	2.1
201.16367	2.0
227.12741	13.9
229.14357	40.4
231.15869	2.5
232.07439	1.3
243.21114	4.8
259.20609	2.9
261.22147	21.2
263.20135	1.5
279.23206	1.9
289.21600	1.6
299.23831	2.4
317.24854	3.5
333.24399	1.8
335.25775	29.2
339.15875	1.3
353.26688	1.5
373.27292	1.6
379.29752	3.2
397.30954	9.6
415.26703	1.4
415.31989	6.7
433.33209	7.9
449.32965	1.9
471.34912	7.2
489.35733	60.0
507.36307	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	Gymnemagenin
Peak:m/z	Relative Intensity
53.03945	10.0
55.01875	13.3
55.05506	50.3
56.01633	4.2
57.07080	11.0
65.03933	5.4
66.00795	4.4
67.05509	81.6
69.03425	14.6
69.07072	38.7
70.99313	8.4
71.04993	8.9
71.08635	39.3
79.05497	60.0
81.03426	20.6
81.07059	100.0
83.04971	11.1
83.08605	27.1
85.02911	8.5
85.06565	9.4
85.10168	8.3
86.90719	4.8
87.00858	4.9
91.05486	65.3
93.07043	70.2
95.04973	24.5
95.08608	79.8
97.02908	11.8
97.06536	45.3
97.10173	16.2
99.08094	27.5
100.97451	4.0
105.06368	8.5
105.07027	78.6
107.04989	9.0
107.08595	45.6
109.02888	10.3
109.06512	12.3
109.10160	28.5
111.08091	8.7
113.09631	6.6
117.07022	24.9
119.08578	52.4
121.06510	13.0
121.10143	40.1
123.08096	7.9
123.11730	7.7
125.09639	16.0
127.03961	10.0
127.07661	4.5
129.07010	18.8
131.08572	40.9
133.06508	7.4
133.10138	31.3
135.04424	5.8
135.08076	8.1
135.11719	22.5
137.06023	5.2
137.09717	9.7
139.11183	4.9
139.68745	4.1
141.07033	7.8
143.08624	26.9
145.04987	4.8
145.06482	6.2
145.10146	31.5
147.08025	7.9
147.11671	20.4
149.09674	6.8
149.13264	13.8
151.07584	5.0
151.11191	19.0
155.08597	8.3
155.10623	6.1
157.10143	17.7
159.08142	4.4
159.11682	18.5
161.09669	5.3
161.13290	16.8
163.03966	20.9
163.11237	11.7
163.14851	6.0
165.12781	8.4
169.10091	10.0
171.11702	12.1
173.02350	11.6
173.13298	11.4
177.12753	14.9
179.14346	6.7
181.10136	8.5
183.11662	11.5
185.13281	8.4
187.14861	8.1
189.11218	7.7
197.13274	4.9
199.14778	7.8
203.14226	6.3
208.35530	4.5
215.07101	26.2
215.08865	4.4
215.14316	6.3
217.16019	5.8
224.20930	6.9
225.16296	4.2
243.17563	6.0
252.89076	4.2
259.09647	36.8
259.16714	5.4
277.21628	35.0
289.05252	11.7
295.22748	17.2
303.23175	13.0
317.24734	7.0
329.24689	7.3
339.23105	11.9
341.24863	11.3
347.25656	5.2
355.26505	9.5
357.24316	10.7
359.25552	4.9
373.27365	14.7
375.25345	23.5
389.26721	4.5
393.26553	6.3
425.34253	5.4
435.32538	12.4
453.33469	32.4
463.22952	14.0
471.34814	54.0
489.35751	78.5
507.15121	9.6
507.21930	90.1
507.29144	9.2
507.37000	12.8
508.22327	5.6
515.65601	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	507.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01865	2.9
55.05518	14.6
55.67134	1.2
57.03434	3.2
57.07085	10.0
59.04990	3.7
61.02917	1.6
65.03948	2.1
67.05508	22.7
69.03442	11.8
69.07073	50.5
69.43674	5.5
69.44105	6.8
71.04994	6.3
71.08612	3.2
72.75213	1.3
73.06563	2.3
75.29428	1.2
79.05498	21.1
81.03423	11.1
81.07063	100.0
83.04971	3.6
83.08625	19.6
85.02490	1.3
85.02914	13.3
85.06543	11.1
89.06008	1.3
91.05476	8.2
93.07052	30.1
95.04966	7.6
95.08616	65.6
96.78302	1.2
97.02898	6.5
97.06543	27.1
97.10193	8.2
99.04469	4.0
99.08085	4.6
103.05477	1.3
105.07042	12.3
107.05012	2.4
107.07882	2.0
107.08601	31.1
108.08890	1.4
109.02901	8.9
109.06561	2.7
109.10166	30.3
111.08084	15.0
111.11739	15.7
113.09632	1.8
115.05439	2.6
115.07564	1.4
117.05485	2.8
119.04967	3.0
119.08582	9.5
121.06525	1.9
121.10162	16.5
123.11722	35.7
125.09617	2.6
125.13266	3.1
127.03941	10.0
127.11232	3.4
129.12778	1.7
131.04895	1.6
131.08575	1.9
133.06477	1.4
133.10124	5.0
135.04420	2.1
135.11702	15.5
137.05951	6.2
137.09657	2.8
137.13263	34.3
139.11180	4.4
141.12758	2.7
143.14291	2.1
145.02898	2.4
145.04967	2.3
145.06487	1.5
145.10201	3.0
147.04384	5.8
147.08032	1.4
147.11685	6.1
149.13264	25.2
151.07549	4.2
151.14774	2.6
153.12758	21.2
155.14322	13.4
157.10147	1.6
159.04414	2.1
159.11703	2.3
161.02412	3.2
161.06059	6.3
161.13264	5.7
163.03941	16.4
163.05989	1.4
163.07512	1.5
163.14842	6.9
165.09134	2.1
165.12761	3.9
165.16505	1.8
167.08708	1.9
167.14308	5.4
169.06465	3.2
171.13829	5.5
173.02371	4.3
173.06000	2.1
173.15393	3.9
175.03918	1.7
175.07564	2.1
175.14751	1.6
175.88933	1.3
177.05479	2.2
177.16402	3.7
179.14319	1.6
181.05034	1.5
181.15915	1.8
185.09679	1.4
187.07494	3.3
189.09157	7.3
191.17865	1.9
195.08127	2.1
195.17418	1.7
197.06107	2.8
197.15335	2.6
199.07422	2.2
200.04649	2.7
203.17984	2.1
205.19475	1.7
209.19170	1.5
213.09006	2.7
214.06345	1.4
215.07039	21.5
217.19589	3.1
219.21025	1.9
231.10306	2.0
235.20412	1.6
241.08688	1.7
259.09714	23.1
260.10080	1.9
261.25769	4.6
261.28506	1.5
273.25827	5.3
279.26834	11.5
291.26816	20.1
297.27896	4.3
309.27872	29.6
315.28824	2.7
327.28937	5.2
335.13168	1.4
343.07797	1.4
345.29831	6.8
422.53116	1.4
507.13089	10.0
507.21115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
54.15520	1.9
55.01880	3.3
55.05521	15.8
57.03425	2.6
57.07074	11.4
59.04988	2.3
67.05504	23.0
69.03435	7.6
69.07072	53.0
70.02863	10.5
71.05002	5.8
71.08634	8.2
73.06567	1.8
79.05486	16.5
81.03457	1.9
81.07063	100.0
83.04974	1.9
83.08625	21.5
83.99405	1.8
85.02897	14.9
85.06551	9.8
86.09715	10.1
91.05494	8.1
93.07052	35.9
95.05003	3.6
95.08611	78.5
97.02892	3.5
97.06544	8.6
97.10159	10.2
98.21532	2.5
99.04459	2.1
99.08105	6.0
99.71093	2.1
105.07066	14.8
107.08604	36.3
109.02938	3.8
109.06514	2.9
109.10162	42.1
111.08097	17.0
111.11738	12.3
113.09649	2.2
119.08569	11.1
120.08109	6.0
121.10157	24.6
123.08089	2.1
123.11716	38.3
125.09635	3.5
125.13253	4.9
127.03929	4.7
127.11199	2.0
128.03648	2.3
131.08638	2.6
133.10152	6.8
135.11710	26.0
137.05968	2.6
137.13263	31.8
139.03880	2.1
139.11188	3.8
145.10143	2.0
147.11711	11.1
149.13258	21.1
151.14841	4.2
153.12749	22.1
155.14319	12.3
159.11655	3.2
161.13263	6.9
163.07581	2.7
163.14885	10.8
165.12801	14.2
167.14365	3.3
171.13809	4.0
175.14825	2.4
177.16414	8.7
183.13823	5.5
189.16415	2.7
191.17970	3.2
195.17455	2.6
201.14928	3.2
203.18030	4.0
205.19539	3.4
217.19560	3.8
235.20749	3.0
241.19414	3.6
259.09579	4.2
261.25867	4.4
273.25867	10.9
279.17108	2.5
279.26770	10.7
291.26825	34.4
297.27948	9.3
309.27878	25.3
327.28970	7.2
345.17105	2.3
507.12750	3.3
507.26376	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
55.01862	3.2
55.05518	17.9
57.03443	3.6
57.07073	11.1
67.05508	38.7
69.03437	17.5
69.07072	43.2
71.04982	8.2
71.08635	6.3
71.59984	4.4
75.62983	2.3
79.05493	27.4
81.03413	17.6
81.07061	100.0
83.04990	7.2
83.08622	23.4
85.02898	23.1
85.06499	3.1
91.05489	17.5
92.30230	2.3
93.07051	49.5
95.04983	9.4
95.08610	97.6
97.02888	13.9
97.06537	64.0
97.10159	15.9
98.06853	3.9
99.04428	3.1
105.07021	23.0
107.04939	4.0
107.08598	47.2
109.02883	19.4
109.06519	7.7
109.10157	53.5
111.08087	5.4
111.11720	10.6
117.06997	4.3
119.08588	17.4
121.06531	4.1
121.10149	37.4
123.08088	3.4
123.11714	32.1
125.09654	4.1
125.13272	8.9
127.03909	18.3
131.04849	2.6
131.08572	3.8
133.10155	12.8
135.04443	3.6
135.11700	36.3
137.06018	5.6
137.09625	3.3
137.13249	22.8
139.11217	5.1
145.02841	5.4
145.10143	3.6
147.04381	3.9
147.11679	15.2
149.09598	3.0
149.13275	25.3
151.07477	2.9
151.14847	4.2
153.01833	5.1
153.12790	5.8
159.04440	5.5
159.11722	3.9
161.02339	9.3
161.05974	3.6
161.13275	8.4
163.03923	30.6
163.14832	17.5
165.09131	4.3
165.12791	4.2
165.16345	4.8
167.07103	3.0
167.14215	2.9
171.02965	3.0
173.02345	23.1
175.14882	5.3
177.05493	5.3
177.16400	12.8
179.14214	2.8
181.05013	4.7
183.13788	4.2
186.62901	2.4
187.07655	3.4
189.09148	3.0
189.16402	5.1
191.17955	7.5
203.17964	8.7
207.36148	2.5
213.85638	2.8
215.07037	38.8
217.19569	9.9
233.08182	2.8
235.20557	5.0
241.08553	3.7
247.24229	4.5
257.08170	6.2
258.08347	5.8
259.09671	86.8
260.10147	5.1
273.25751	24.9
289.05215	4.8
291.26877	21.0
309.27859	8.0
403.13834	3.8
463.23071	4.2
465.41647	3.2
507.14951	23.6
507.22025	31.1
507.28888	4.7
508.21948	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	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
53.16424	2.9
55.01876	3.3
55.05509	15.0
57.07068	8.5
67.05507	33.3
69.03429	17.7
69.07069	45.3
71.04995	6.5
71.08633	6.3
71.59608	3.4
79.05494	29.1
79.27361	3.4
81.03424	22.7
81.07061	54.1
83.04985	5.2
83.08617	12.1
83.21358	2.8
85.02911	23.0
85.06487	3.4
87.00829	4.8
91.05486	21.2
93.07053	37.9
95.04954	8.8
95.08617	62.4
97.02897	11.9
97.05922	3.3
97.06539	61.5
97.10168	10.1
98.42431	3.1
99.04496	5.0
100.11202	5.4
105.01878	4.6
105.07027	25.7
107.08559	25.6
109.02908	23.0
109.06490	4.5
109.10159	36.1
111.04420	8.7
111.08114	3.7
111.11794	5.0
117.03402	6.4
117.07001	3.4
118.08821	3.0
119.08596	26.9
120.20404	3.5
121.10166	27.3
123.08055	6.1
123.11709	25.4
125.09619	4.5
127.03911	27.6
129.06944	4.9
131.08582	5.5
132.63336	3.0
133.10120	15.7
135.04434	8.5
135.11705	17.1
137.05959	8.7
137.09607	4.1
137.13258	9.2
139.11203	4.3
143.08566	4.2
145.04948	3.8
147.07974	3.6
147.11711	18.0
149.13281	17.6
150.09111	7.2
151.03976	3.1
151.07521	5.5
151.11137	4.6
159.11615	4.4
161.02341	13.2
161.09549	4.9
161.13249	7.0
163.03925	33.7
163.11311	3.6
163.14810	11.7
165.09119	5.0
165.12772	4.3
168.13814	12.4
173.02371	21.4
175.14835	4.7
177.05502	5.3
177.16347	6.8
182.15413	3.6
189.09134	6.9
189.16289	3.3
191.18047	4.3
196.13336	10.0
201.84541	3.1
203.17908	3.3
207.10204	5.5
210.14856	4.6
215.07083	32.4
216.07486	4.3
225.11197	11.0
259.09689	76.1
260.09705	4.1
273.25781	25.7
289.05252	6.9
291.26834	21.0
309.27887	11.6
312.26508	6.3
327.29050	4.1
403.13910	5.7
421.21841	5.2
422.30432	4.4
463.22974	10.9
489.20673	11.8
507.14975	17.1
507.21909	100.0
507.29279	36.3
507.38800	15.7
508.22070	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	507.2804
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
53.03944	2.7
55.05505	3.9
56.10433	1.7
57.03430	6.9
67.05508	5.7
69.03430	19.3
69.07065	14.0
70.06587	5.0
71.04980	3.0
71.60138	1.9
72.08156	3.0
73.02912	2.0
79.05499	7.6
81.03414	6.3
81.07056	18.4
83.04982	3.5
83.08623	4.6
85.02911	15.5
85.06551	2.4
86.09700	4.6
87.04451	13.1
91.05491	7.2
93.07049	12.3
95.04966	3.9
95.08606	23.4
97.02880	17.4
97.06522	2.2
97.10181	3.2
99.04448	2.9
99.08093	14.7
103.05463	6.5
105.07038	7.7
107.04964	3.1
107.08595	22.3
109.02893	3.7
109.10160	7.3
111.04482	1.9
111.08082	5.7
115.03931	18.3
117.07030	2.0
119.04982	2.1
119.08588	3.1
120.08085	6.8
121.06515	1.7
121.10152	43.3
121.11024	2.5
122.03636	2.3
125.09628	3.6
126.25511	2.0
127.03916	5.1
131.04910	12.8
133.04987	18.1
133.06473	2.3
135.04515	2.1
135.11725	10.4
137.05014	2.8
137.05983	26.4
137.13261	7.0
138.06108	1.9
145.04919	2.8
145.06528	2.4
145.10112	3.3
147.04417	5.2
147.08043	2.6
149.06030	2.8
149.13249	2.5
151.07530	3.3
158.99658	2.6
161.05978	9.3
163.03905	6.8
163.07587	5.4
165.12767	3.1
167.07047	3.3
175.07582	5.0
177.05495	3.3
177.16402	100.0
179.08737	2.3
181.04950	4.2
187.07495	3.0
189.09100	2.8
195.17479	18.2
213.09055	2.5
213.18509	47.5
237.09219	2.5
239.76041	1.8
249.09154	3.2
265.08737	3.7
279.10211	2.9
283.09842	2.5
285.11063	2.9
313.20416	2.0
315.12100	3.3
337.10693	2.1
421.79715	2.3
489.19122	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	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01879	1.0
55.05511	10.3
57.03442	7.1
57.07058	1.7
58.48386	0.8
67.05508	38.9
69.01151	0.8
69.07079	10.1
71.04990	1.6
71.61007	1.1
79.05495	26.5
81.07059	35.8
83.04977	1.5
83.08637	4.9
85.06544	1.2
91.05477	13.8
93.07044	31.3
93.07635	2.0
95.04960	3.3
95.08611	30.9
97.06538	1.8
97.10166	1.3
98.98470	43.2
99.08104	1.0
105.04500	1.0
105.07034	11.1
107.08600	18.6
109.06514	1.1
109.10163	11.5
116.77750	0.8
116.99512	1.5
117.07032	2.8
119.08586	11.6
121.10146	13.7
123.08037	1.1
123.11745	4.6
125.01084	0.9
125.09642	1.1
131.08586	6.4
133.10141	9.3
135.11703	8.2
137.13268	1.5
145.10127	6.6
147.11653	6.1
149.13264	4.6
155.01051	19.0
159.11705	4.0
161.13257	3.9
163.14806	3.6
173.02124	7.0
173.13274	3.7
175.14850	2.0
184.07358	1.3
187.14873	2.9
189.16415	2.2
203.18027	1.1
221.15184	0.8
229.04755	2.9
243.21085	6.8
247.05803	3.5
261.22119	12.2
304.59033	0.9
317.24808	7.5
323.90231	0.9
335.25812	100.0
336.26199	2.0
471.25003	5.9
499.31088	0.8
507.35818	1.8
528.12616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2721
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03934	1.6
55.05273	0.8
55.05515	11.3
57.03435	5.8
57.07068	2.1
61.68181	0.9
63.65401	0.9
63.87527	0.8
65.03925	1.3
67.05509	36.2
69.06793	1.0
69.07078	10.7
71.04982	1.2
71.60631	1.3
79.05064	1.7
79.05497	23.7
81.07065	33.9
83.04990	1.4
83.08633	5.4
84.91211	0.8
90.02029	0.8
91.05491	12.0
93.07052	27.5
95.04977	1.7
95.08619	24.9
97.06550	1.6
97.10175	1.3
98.98473	39.8
105.07031	8.6
107.08610	14.1
109.10165	12.4
116.99509	1.6
117.06983	4.2
119.08585	9.3
121.10155	11.3
123.11713	3.7
131.08562	6.0
133.10165	7.0
135.11705	8.3
137.09529	1.2
142.51495	0.9
145.10162	4.4
147.11746	5.0
149.07855	0.9
149.13283	4.2
155.01056	15.6
159.11696	2.9
161.13266	2.6
163.14844	3.1
173.02133	6.0
173.13303	3.3
175.14893	1.6
177.16397	1.3
187.14839	1.8
206.24448	0.9
229.04753	2.4
240.08479	1.0
243.21111	5.9
247.05821	2.7
261.22186	9.4
279.22980	1.2
317.24823	6.7
335.25833	100.0
336.25964	1.3
415.22455	1.3
471.25107	5.7
505.92572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.05512	8.4
57.03431	6.7
65.03936	1.8
67.05501	27.4
69.07065	8.1
69.39771	11.9
69.40186	3.7
79.05492	17.1
81.07054	32.4
83.08606	3.4
90.87767	1.7
91.05486	10.5
93.07048	19.5
95.08613	25.1
97.06551	2.3
97.10170	1.5
98.98458	27.9
105.07015	7.3
107.08593	12.6
109.10174	11.2
117.07021	2.4
119.08573	4.6
121.10135	9.1
123.11672	3.6
131.08562	4.3
133.10085	3.6
135.11719	5.0
145.10143	4.6
147.11664	1.9
149.13271	2.3
155.01033	3.5
156.16154	1.6
161.13297	3.1
173.02087	6.2
203.14944	1.6
232.56552	1.4
243.21101	2.3
247.05762	3.3
261.22131	4.0
317.24670	3.1
319.81860	1.7
335.25809	100.0
336.26096	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	507.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
56.05016	0.3
57.03416	0.8
69.03430	2.8
69.62917	0.6
69.63332	1.6
70.06597	2.2
72.08154	2.7
73.02919	0.5
78.64545	0.3
81.03438	2.3
83.06132	0.4
84.04507	0.6
84.08154	0.5
85.02905	5.8
86.09692	1.3
87.00827	1.3
87.04452	0.5
97.02904	2.6
98.20677	0.3
99.04460	0.6
99.95188	0.3
100.92455	0.3
105.01855	1.4
109.02879	2.5
113.62687	0.3
115.03940	0.9
117.10218	0.5
127.03915	100.0
128.04295	0.5
129.01895	0.4
129.10292	0.3
133.04973	0.4
139.03954	0.3
145.02835	0.5
145.04970	1.6
147.04413	1.5
159.02928	1.2
163.03893	0.5
167.07219	0.3
177.05542	0.6
213.18484	0.3
228.13573	0.4
230.88004	0.3
231.04913	0.8
238.40448	0.3
244.16409	0.5
311.63934	0.4
330.59836	0.3
342.36731	0.3
374.68005	0.3
375.04620	0.6
375.09207	5.8
465.94431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2718
Annotation	Amoritin
Peak:m/z	Relative Intensity
52.17720	0.7
53.03941	0.8
55.01847	0.8
55.05511	8.2
57.03436	7.4
57.07068	1.4
59.05313	0.7
67.05502	30.7
67.24682	0.6
69.07062	8.5
70.12357	1.2
70.12759	2.6
72.08157	7.6
73.08489	1.9
74.37132	0.7
77.32259	0.6
79.05055	1.2
79.05488	16.8
81.03412	1.0
81.07055	29.1
83.08616	4.0
91.05470	8.8
93.06477	1.0
93.07040	17.1
95.04958	2.4
95.08607	23.0
96.08916	0.9
97.06509	1.2
97.10138	1.6
98.98461	24.6
99.08073	1.1
104.99257	1.0
105.07037	6.4
107.08591	10.9
109.06511	0.6
109.10159	10.1
111.08079	0.8
117.06992	2.0
119.08585	5.1
121.10131	9.0
123.08036	0.9
123.11710	2.2
131.08572	3.8
133.10124	4.3
135.11678	5.4
145.10075	2.5
147.11687	2.6
149.13219	2.1
155.00978	3.3
159.11659	2.0
161.13240	1.9
163.14787	1.4
173.02107	5.4
173.13205	1.6
187.14812	0.9
231.28296	0.7
243.21066	2.3
247.05725	1.1
261.22134	3.0
273.11456	0.6
317.24915	1.3
335.25790	100.0
336.26141	2.6
338.27756	3.6
425.22861	2.1
489.28409	0.8
489.35764	1.2
507.36005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
57.03433	1.1
61.02932	0.7
69.03426	2.4
69.07065	1.1
69.48558	4.7
70.06590	1.3
71.05013	0.7
73.06562	0.8
79.05482	0.8
81.03429	0.7
81.07059	8.5
82.07385	3.3
85.02905	7.0
86.09705	1.4
87.04478	3.7
89.06033	82.0
91.05482	0.8
93.07039	0.8
95.05003	0.6
95.08614	4.2
96.08960	1.3
97.02897	2.4
98.21525	0.9
98.97616	0.6
105.07036	1.1
107.07086	3.3
110.10590	0.6
111.04450	0.8
115.03941	1.4
115.86295	0.4
117.03365	1.2
119.04958	1.8
121.02866	0.5
127.03922	0.9
130.08629	1.1
131.07028	1.0
133.04947	0.9
133.08603	47.9
135.05531	0.9
137.13263	4.4
138.13606	4.1
145.02861	2.4
145.04930	0.7
147.04422	5.1
148.04752	1.1
161.05931	2.6
175.07474	0.6
177.05472	8.1
177.06868	0.7
177.11232	17.9
195.06543	1.0
195.12244	1.2
203.07114	1.2
219.01848	0.6
221.13774	4.2
227.07130	0.9
234.94749	0.6
235.10957	3.4
236.11317	4.2
236.66791	0.6
239.14899	4.0
249.07526	2.9
252.84761	0.5
283.17487	4.2
297.10837	1.7
309.09592	3.4
327.20145	100.0
328.20334	1.1
344.74911	0.6
424.51797	0.6
506.28305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.05027	0.5
57.03453	0.2
57.59992	0.2
58.06606	0.4
60.08162	6.1
60.25496	0.2
67.05504	0.9
69.07053	0.4
71.06982	0.2
71.07368	2.8
71.59177	0.2
79.05475	0.5
81.07057	0.8
83.04994	0.2
85.74403	0.2
86.09702	30.9
87.23242	0.2
93.07056	0.5
95.08611	0.6
98.78046	0.2
98.98465	3.0
104.10754	2.8
105.07034	0.2
109.10151	0.2
119.08582	0.3
125.00000	18.3
143.01041	0.5
155.02768	0.2
171.00293	0.2
184.07332	100.0
185.07683	0.2
191.23413	0.2
345.85461	0.2
472.70596	0.2
488.31534	1.2
506.32416	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
53.24650	0.6
55.01864	1.1
55.05505	1.3
57.03441	15.6
60.04519	0.6
61.02925	5.3
66.32138	0.5
67.05490	1.7
69.03432	13.1
69.07053	1.2
70.06585	1.0
71.01347	2.1
71.04995	0.9
71.59473	0.8
73.02921	34.2
79.05508	3.5
81.03411	3.0
81.07063	4.6
82.07374	1.0
83.04961	1.4
83.08618	0.7
84.04491	0.9
85.02906	20.0
86.09711	1.1
87.00777	0.7
87.04457	1.1
91.03947	0.7
91.05474	3.0
93.07070	2.6
94.07368	0.6
95.04960	2.1
95.08603	2.2
96.08952	0.5
97.02893	21.6
97.06547	1.2
98.03220	0.6
98.06059	1.1
99.04438	0.9
103.05466	2.2
105.07029	5.1
107.04958	33.7
107.08598	2.5
109.02874	2.5
109.06488	1.3
109.10162	1.9
115.03158	1.1
115.03934	17.7
115.05403	2.5
117.07051	1.3
119.08527	1.2
120.08065	0.6
121.06522	1.0
121.10152	1.1
123.04426	0.6
123.11678	1.5
124.12020	0.8
126.05532	1.1
127.03917	6.3
130.84798	0.5
131.04912	0.6
131.08537	0.5
133.04982	4.1
133.10124	1.0
135.08064	10.6
137.05951	1.1
144.06549	3.9
145.04976	5.9
145.06084	0.8
145.06450	0.6
145.10052	0.8
146.10437	0.6
147.08025	0.8
150.07651	1.5
156.07846	0.7
159.11688	1.4
161.09581	1.0
161.13260	0.6
162.07620	2.3
163.03888	1.2
163.06239	1.4
163.07552	37.8
167.07047	5.1
173.13338	0.6
175.07562	1.0
179.03383	3.1
180.03746	2.1
180.07765	2.1
180.08932	0.9
181.04970	0.9
187.15009	0.6
195.10179	100.0
196.10513	1.3
205.92836	0.5
207.10185	1.6
215.07039	1.1
219.10188	0.5
223.05972	1.1
228.39516	0.5
241.07094	1.6
276.10892	1.0
281.13931	2.5
281.22595	0.5
290.25488	0.6
294.11877	1.2
295.10339	0.7
305.38953	0.5
308.26636	1.1
312.12927	0.9
491.29642	0.6
506.21564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
54.77040	0.5
55.01870	1.6
57.03431	1.1
60.04558	0.6
61.02932	1.1
65.06909	0.6
67.72151	0.5
69.03430	5.9
70.06593	0.6
71.04998	7.9
71.38921	1.2
73.02913	0.6
79.05492	3.8
81.03423	4.1
83.04996	0.7
85.02906	9.7
86.09716	0.9
87.04491	0.8
88.90257	0.5
89.06033	35.9
91.05492	2.5
95.04965	1.4
97.02891	17.2
99.04463	2.4
103.05446	3.8
105.07032	39.2
105.14774	0.6
107.04969	0.8
108.04484	4.0
109.02888	4.5
111.04486	0.8
111.09766	0.5
115.05463	7.5
116.02015	0.5
118.04166	2.0
119.04964	0.9
125.56030	0.6
126.05541	1.0
127.03925	7.2
131.04942	2.8
133.06496	44.9
135.06551	2.6
137.05975	1.5
143.04948	1.2
143.06053	2.7
145.02802	0.7
145.04985	5.0
147.04402	0.8
161.05986	98.5
163.05977	0.7
167.07045	0.7
175.07555	0.6
177.05467	1.2
193.08614	100.0
205.08614	1.1
211.09753	0.8
219.05051	1.7
235.09682	0.8
243.08495	1.0
261.09662	1.9
271.09711	0.7
301.10550	1.6
506.23282	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	506.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
61.02930	0.8
68.99792	0.6
69.03428	3.8
70.06590	0.6
71.05021	0.7
71.60461	0.7
73.02895	0.4
81.03419	1.2
81.07039	0.5
84.04546	0.6
85.02915	9.4
85.24225	0.4
86.06078	0.5
87.00835	26.7
87.04483	2.3
89.06052	0.6
91.05471	4.0
93.07066	0.6
97.02898	100.0
98.97579	0.5
99.04443	0.9
101.02392	0.5
103.05443	0.4
105.01875	15.3
105.07027	1.6
107.08637	1.3
115.03940	3.7
115.05518	0.6
117.03349	0.5
119.08528	0.6
123.04489	0.5
127.03923	1.2
131.04901	0.8
133.04976	1.0
133.06531	1.3
133.10143	0.5
137.05978	3.2
138.06331	1.3
138.21698	0.5
140.07129	0.7
145.02864	0.5
145.05009	1.2
145.06410	0.7
147.04453	1.0
151.07570	0.7
153.12691	0.5
157.06299	0.4
161.05943	2.8
173.05940	0.6
174.06792	1.0
177.05440	1.2
179.07001	0.8
187.07574	1.5
193.08676	1.4
201.03954	43.4
219.05008	14.9
219.07031	0.8
236.07718	2.3
288.62485	0.6
307.79666	0.4
309.09732	0.5
312.13297	0.5
312.26334	0.5
326.11438	0.8
342.14349	0.6
345.08142	7.3
363.09247	4.3
418.66415	0.5
506.23688	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
57.03435	16.3
58.41312	0.5
59.05003	0.7
60.04517	1.0
61.02920	5.4
61.49525	0.5
65.03930	0.6
67.05483	0.5
69.03427	13.0
69.07051	0.7
71.01340	2.1
71.04977	2.2
71.09222	0.6
71.09560	0.9
72.20870	0.6
73.02914	34.1
79.05495	1.1
81.03406	2.0
81.07058	1.4
84.04517	0.5
85.02904	21.7
87.04452	1.1
87.26252	0.5
91.03958	0.8
91.05501	1.5
93.07016	0.7
95.08617	1.0
96.04500	0.7
97.02887	24.3
98.06036	0.8
99.04441	0.5
103.03944	0.6
103.05450	6.4
105.07012	2.6
107.04958	7.4
107.08634	0.7
109.02867	1.7
111.04420	0.5
115.03923	17.7
115.05451	1.1
117.07014	0.6
119.08596	0.6
120.05706	0.7
121.06496	0.7
126.05544	0.8
127.03902	6.1
129.05428	0.6
131.04919	1.7
132.06511	0.7
133.04971	4.6
135.08054	6.8
135.11674	0.5
137.06026	0.8
139.03893	3.0
144.06558	3.3
145.04932	5.8
147.04459	1.0
148.05193	0.9
149.79736	0.5
150.07639	1.6
154.06241	32.3
162.07687	2.9
163.03868	2.0
163.06073	2.0
163.07527	27.2
163.08955	0.7
167.07051	1.4
177.05573	0.6
180.07756	2.0
180.08803	1.5
195.10164	100.0
196.10597	0.8
223.06012	1.8
241.07080	1.5
259.08078	1.2
276.10742	0.9
289.46127	0.5
294.11801	1.7
295.10333	0.8
303.05148	0.6
308.26749	1.0
312.12665	0.6
506.44397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07613	1.2
57.03438	13.6
57.49659	1.2
59.04993	2.4
60.04496	1.6
61.02917	1.4
65.49885	1.2
69.03432	40.6
70.06570	2.9
71.60030	1.7
71.88790	1.2
72.08132	2.7
74.54669	1.3
81.03417	2.5
83.04972	3.1
84.04522	1.6
85.02431	2.1
85.02911	29.1
85.95728	1.1
86.09729	3.1
87.03992	2.0
87.04469	24.5
88.39054	1.1
89.03919	1.6
90.53024	1.2
91.05436	2.5
97.02894	36.3
99.04468	2.8
105.06974	1.7
111.04429	2.3
115.03162	2.8
115.03932	43.5
117.03374	9.8
119.04922	1.9
127.03925	5.1
131.04945	1.9
133.04967	48.1
135.04399	3.0
137.05925	1.9
145.02858	33.9
145.04961	2.2
147.04391	7.8
149.05984	6.2
150.07599	10.2
161.05948	3.0
163.03908	3.6
163.07512	2.3
175.07538	4.4
177.05479	100.0
180.08670	3.9
189.05632	1.4
191.07065	1.7
193.08589	2.1
195.06544	60.8
209.11736	1.2
219.06630	6.1
243.06599	1.9
255.06598	2.1
273.07571	2.1
309.09622	4.0
355.73816	1.4
469.74048	1.6
506.23126	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	505.3527
Annotation	Protobassic acid
Peak:m/z	Relative Intensity
53.03955	7.8
53.60197	4.3
54.56315	3.8
55.01875	22.1
55.05508	57.7
60.79660	5.1
65.03932	6.1
67.05508	65.7
69.03458	8.6
69.07067	47.1
71.04998	11.6
79.05492	65.7
81.03429	10.8
81.07057	100.0
83.04980	15.1
83.08618	32.6
85.02899	9.7
85.06548	8.0
91.05473	66.9
91.10487	4.4
93.07052	58.0
95.04971	23.4
95.08606	69.7
97.02893	4.8
97.06531	30.5
97.10178	14.6
98.20733	10.7
99.08117	8.1
99.32345	4.6
105.07025	68.7
107.04980	10.0
107.08604	50.8
109.02873	7.5
109.06506	15.1
109.10149	35.3
111.04450	12.2
111.08108	10.5
117.07027	38.3
119.08575	65.8
121.06493	12.2
121.10168	36.3
121.71169	4.5
123.08056	13.2
123.11730	14.4
125.09626	13.8
127.03896	8.8
129.07011	25.2
131.08553	57.7
133.06491	4.6
133.10147	47.6
135.08043	10.4
135.11707	17.3
135.36598	3.8
137.05936	6.2
137.09587	4.6
141.06981	10.0
143.08519	25.3
145.10106	32.6
147.04387	13.5
147.08051	14.3
147.11632	22.1
149.09621	14.9
149.13290	10.3
151.11147	7.2
153.01848	10.6
153.09056	5.6
155.08560	14.0
157.10120	22.4
159.07986	6.6
159.11676	25.4
161.09630	5.7
161.13266	14.5
163.11205	10.0
163.14891	6.2
165.12733	11.9
167.07092	5.4
169.10103	9.5
171.11717	18.5
173.13385	9.2
175.11134	9.2
175.14749	7.1
177.12740	16.8
181.10214	6.6
183.11652	9.7
185.13312	9.9
187.11169	8.3
187.14848	10.7
189.11194	6.3
189.12776	5.0
195.11775	8.1
195.13782	5.6
197.13295	13.5
199.14824	10.3
201.12686	4.6
203.03400	6.0
203.18060	10.6
204.18323	5.2
211.14850	5.1
213.03937	6.5
213.13139	5.2
223.14925	4.9
233.15285	5.2
249.32828	4.2
257.18976	6.8
269.18579	4.4
273.18689	4.8
275.20081	63.0
277.21692	5.7
292.36792	5.2
293.21243	12.4
301.21558	8.9
315.23050	7.7
323.23624	5.7
339.23093	9.0
341.24582	7.9
345.24384	5.3
355.26236	7.2
357.24292	9.6
359.25882	5.1
371.25845	4.8
375.25366	20.3
393.26550	5.1
423.32669	10.8
433.31024	16.9
441.33197	7.9
451.32092	46.3
459.34293	13.2
469.33163	78.9
487.34280	77.6
505.22311	6.5
505.35095	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01874	1.4
55.05508	4.4
57.03431	1.2
57.07074	0.8
59.04967	0.6
61.02885	0.8
62.08893	0.7
64.29884	0.5
65.03930	0.6
66.98248	0.5
67.05173	0.6
67.05508	8.0
69.03432	4.5
69.06786	0.6
69.07079	6.2
71.04974	1.5
71.06491	0.6
71.59046	0.9
73.02913	0.9
79.05501	6.1
81.03434	3.5
81.07057	14.8
82.03752	0.6
82.07389	1.1
83.04971	1.5
83.08627	3.5
85.02899	8.0
85.06503	1.2
86.03238	0.6
87.00819	2.5
87.17090	0.5
91.05479	7.9
92.05773	1.1
93.07045	11.4
94.07377	0.7
95.04969	1.7
95.08611	20.1
95.77670	0.6
96.08936	1.9
97.02884	3.3
97.06531	2.8
97.10148	1.5
97.34764	0.6
98.98457	0.6
99.04428	1.6
103.05484	0.7
105.01884	2.2
105.07030	20.2
106.07359	1.4
107.04949	1.0
107.08597	16.9
108.08855	0.9
109.02867	2.6
109.06502	2.6
109.10158	15.5
110.10507	1.7
111.04470	1.0
111.08049	2.1
111.11758	0.8
115.03902	0.6
117.03377	1.0
117.07005	2.4
119.04916	0.6
119.08582	19.9
120.08936	1.9
121.05747	0.6
121.06504	2.5
121.09305	1.0
121.10152	14.6
122.10461	1.6
123.08072	5.4
123.11696	4.7
125.09636	1.9
127.03922	5.3
128.04260	1.0
128.06219	0.6
129.06992	1.6
130.07784	0.6
131.04910	0.8
131.08563	9.3
133.06497	0.8
133.10132	14.7
134.10457	1.4
135.04427	1.0
135.08064	2.3
135.11732	5.8
137.05991	2.5
137.09592	3.5
137.13246	1.0
139.11165	0.7
141.06995	0.8
143.08563	2.7
145.02881	1.3
145.04976	1.5
145.10127	10.9
147.04410	1.1
147.08060	1.9
147.11691	16.4
148.12047	4.1
149.09628	2.8
149.13258	4.9
150.13599	0.8
151.07616	0.6
151.11137	1.4
153.09065	0.7
155.08620	0.8
156.09401	0.7
156.73102	0.5
157.10135	3.6
159.02898	1.1
159.11702	10.6
161.09636	2.3
161.13257	7.7
162.13635	1.5
163.03914	2.2
163.11214	1.7
163.14810	4.6
165.09099	0.7
165.12747	2.4
166.13094	1.3
167.07025	0.9
167.10626	1.0
169.10159	1.1
170.10851	1.0
171.11679	3.3
173.09705	0.6
173.13258	8.8
173.20796	0.5
175.07603	0.7
175.11208	1.1
175.14838	8.9
176.15123	0.8
177.05542	3.4
177.09085	0.6
177.12738	1.8
177.16353	3.2
179.10660	1.3
181.04982	0.7
183.11774	1.6
185.13254	4.7
187.11221	1.2
187.14833	8.2
189.09090	0.9
189.12761	1.5
189.16377	4.3
191.14278	5.4
191.17978	1.3
193.04971	1.1
193.12141	0.8
197.13319	1.2
199.14902	3.6
201.12775	0.8
201.16385	15.2
202.16747	0.8
203.14323	6.7
203.17963	16.7
204.18295	16.0
205.15877	4.2
205.19498	0.9
211.14879	1.6
213.16415	2.5
213.32826	0.6
215.17943	2.9
217.15932	1.4
217.19357	0.8
219.17493	2.1
221.15442	5.1
221.18919	4.9
222.19415	3.6
223.16922	0.7
224.16911	0.6
225.16393	0.7
225.97278	0.6
227.18019	0.9
229.15910	1.2
229.19568	1.4
231.04929	0.7
235.16966	1.8
239.16417	13.7
239.20012	6.0
241.19514	1.2
243.21104	2.5
247.16983	4.1
249.18529	0.8
253.19624	0.8
255.17438	0.7
255.21043	4.0
257.22583	1.9
269.22662	2.2
289.21826	0.9
301.21545	1.5
303.23245	1.1
313.14386	0.9
315.23270	0.8
363.25327	4.5
367.13834	2.8
385.14731	1.0
387.30481	0.8
389.26886	4.2
393.31644	1.2
405.31439	2.3
421.31104	1.5
423.32574	4.2
433.31030	1.0
439.32153	1.1
441.33636	4.3
451.32007	2.1
459.34705	100.0
460.35034	2.6
461.21426	1.1
469.32880	1.0
487.34143	2.5
505.17349	2.2
505.20367	2.7
505.35172	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	505.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01874	1.4
55.05508	4.4
57.03431	1.2
57.07074	0.8
59.04967	0.6
61.02885	0.8
62.08893	0.7
64.29884	0.5
65.03930	0.6
66.98248	0.5
67.05173	0.6
67.05508	8.0
69.03432	4.5
69.06786	0.6
69.07079	6.2
71.04974	1.5
71.06491	0.6
71.59046	0.9
73.02913	0.9
79.05501	6.1
81.03434	3.5
81.07057	14.8
82.03752	0.6
82.07389	1.1
83.04971	1.5
83.08627	3.5
85.02899	8.0
85.06503	1.2
86.03238	0.6
87.00819	2.5
87.17090	0.5
91.05479	7.9
92.05773	1.1
93.07045	11.4
94.07377	0.7
95.04969	1.7
95.08611	20.1
95.77670	0.6
96.08936	1.9
97.02884	3.3
97.06531	2.8
97.10148	1.5
97.34764	0.6
98.98457	0.6
99.04428	1.6
103.05484	0.7
105.01884	2.2
105.07030	20.2
106.07359	1.4
107.04949	1.0
107.08597	16.9
108.08855	0.9
109.02867	2.6
109.06502	2.6
109.10158	15.5
110.10507	1.7
111.04470	1.0
111.08049	2.1
111.11758	0.8
115.03902	0.6
117.03377	1.0
117.07005	2.4
119.04916	0.6
119.08582	19.9
120.08936	1.9
121.05747	0.6
121.06504	2.5
121.09305	1.0
121.10152	14.6
122.10461	1.6
123.08072	5.4
123.11696	4.7
125.09636	1.9
127.03922	5.3
128.04260	1.0
128.06219	0.6
129.06992	1.6
130.07784	0.6
131.04910	0.8
131.08563	9.3
133.06497	0.8
133.10132	14.7
134.10457	1.4
135.04427	1.0
135.08064	2.3
135.11732	5.8
137.05991	2.5
137.09592	3.5
137.13246	1.0
139.11165	0.7
141.06995	0.8
143.08563	2.7
145.02881	1.3
145.04976	1.5
145.10127	10.9
147.04410	1.1
147.08060	1.9
147.11691	16.4
148.12047	4.1
149.09628	2.8
149.13258	4.9
150.13599	0.8
151.07616	0.6
151.11137	1.4
153.09065	0.7
155.08620	0.8
156.09401	0.7
156.73102	0.5
157.10135	3.6
159.02898	1.1
159.11702	10.6
161.09636	2.3
161.13257	7.7
162.13635	1.5
163.03914	2.2
163.11214	1.7
163.14810	4.6
165.09099	0.7
165.12747	2.4
166.13094	1.3
167.07025	0.9
167.10626	1.0
169.10159	1.1
170.10851	1.0
171.11679	3.3
173.09705	0.6
173.13258	8.8
173.20796	0.5
175.07603	0.7
175.11208	1.1
175.14838	8.9
176.15123	0.8
177.05542	3.4
177.09085	0.6
177.12738	1.8
177.16353	3.2
179.10660	1.3
181.04982	0.7
183.11774	1.6
185.13254	4.7
187.11221	1.2
187.14833	8.2
189.09090	0.9
189.12761	1.5
189.16377	4.3
191.14278	5.4
191.17978	1.3
193.04971	1.1
193.12141	0.8
197.13319	1.2
199.14902	3.6
201.12775	0.8
201.16385	15.2
202.16747	0.8
203.14323	6.7
203.17963	16.7
204.18295	16.0
205.15877	4.2
205.19498	0.9
211.14879	1.6
213.16415	2.5
213.32826	0.6
215.17943	2.9
217.15932	1.4
217.19357	0.8
219.17493	2.1
221.15442	5.1
221.18919	4.9
222.19415	3.6
223.16922	0.7
224.16911	0.6
225.16393	0.7
225.97278	0.6
227.18019	0.9
229.15910	1.2
229.19568	1.4
231.04929	0.7
235.16966	1.8
239.16417	13.7
239.20012	6.0
241.19514	1.2
243.21104	2.5
247.16983	4.1
249.18529	0.8
253.19624	0.8
255.17438	0.7
255.21043	4.0
257.22583	1.9
269.22662	2.2
289.21826	0.9
301.21545	1.5
303.23245	1.1
313.14386	0.9
315.23270	0.8
363.25327	4.5
367.13834	2.8
385.14731	1.0
387.30481	0.8
389.26886	4.2
393.31644	1.2
405.31439	2.3
421.31104	1.5
423.32574	4.2
433.31030	1.0
439.32153	1.1
441.33636	4.3
451.32007	2.1
459.34705	100.0
460.35034	2.6
461.21426	1.1
469.32880	1.0
487.34143	2.5
505.17349	2.2
505.20367	2.7
505.35172	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	505.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31244	1.4
53.03946	2.2
54.73369	1.5
55.01871	2.1
55.05510	7.4
56.96553	1.6
57.03438	4.8
57.07055	2.1
67.05511	21.3
69.03436	6.3
69.07074	44.0
69.07446	2.7
69.48858	11.5
71.05001	7.7
72.43637	1.5
73.02921	8.8
75.01387	1.6
79.05494	14.0
81.07065	82.2
83.04971	1.4
83.08625	3.8
85.02915	11.4
85.06536	7.9
89.06042	2.6
91.05486	9.4
93.07048	32.5
93.70023	1.4
94.41287	1.4
95.04967	5.2
95.08613	50.7
97.02895	6.8
97.06521	7.4
97.10172	3.9
99.08102	2.8
103.05448	2.4
105.07039	20.8
107.04960	2.2
107.08607	38.6
109.02862	1.4
109.06525	6.6
109.10170	36.1
111.08089	36.6
111.11709	5.5
115.03923	2.4
117.06998	1.6
119.08591	18.2
121.10151	22.3
123.08121	2.5
123.11718	82.8
125.09615	3.2
127.03883	3.8
127.11285	1.8
131.04950	1.7
131.08588	5.8
133.10129	15.8
135.08075	2.4
135.11685	14.4
136.07576	1.6
137.06007	3.4
137.09592	2.5
137.13280	6.7
139.11174	8.1
145.04932	3.0
145.10144	5.2
147.11696	14.4
149.13266	10.0
151.11212	19.2
151.14810	2.2
153.12758	3.4
154.06274	4.7
159.11710	8.8
161.05998	2.2
161.13272	8.1
163.06352	1.8
163.07578	6.5
163.14864	10.9
165.12779	4.8
167.07060	1.8
168.04272	1.4
169.12242	4.6
173.13216	5.0
175.14876	8.3
177.16402	6.1
179.14345	2.5
187.14874	3.8
189.16382	6.3
191.17957	3.2
193.15732	1.6
195.10193	19.2
201.16470	2.1
203.17949	4.4
207.17429	5.9
215.17986	4.7
233.19046	1.8
245.22588	3.3
251.20047	2.2
259.23956	3.3
265.70404	1.8
271.24228	11.5
277.25238	6.4
289.25284	35.3
307.26328	100.0
308.26657	2.9
325.27344	11.7
386.67645	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2646
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.05503	2.9
67.05515	8.9
69.03415	3.8
69.07084	8.0
69.47234	11.0
71.05018	1.9
73.02911	1.4
76.86610	1.1
79.05481	2.1
81.07065	13.0
83.04988	7.6
83.08615	3.6
85.02894	3.3
85.06555	2.2
89.65454	1.2
91.05496	2.0
93.07059	2.7
95.04939	1.5
95.08617	17.7
95.87476	1.2
97.02884	1.9
97.10144	1.5
99.08103	1.2
105.07020	3.2
107.01113	1.2
107.08597	13.2
109.06516	5.5
109.10160	53.6
119.08575	17.8
121.10147	7.3
123.08054	9.3
123.11707	4.5
125.09631	1.7
133.10133	11.9
135.10681	2.9
135.11693	49.2
137.05971	2.7
137.09605	12.4
145.10158	1.7
145.84731	1.3
149.13260	3.7
150.90695	1.4
151.11151	5.7
151.14827	7.3
153.12758	2.2
161.06004	1.5
165.16336	2.1
173.13261	1.5
175.14810	24.6
193.15889	32.5
193.17606	1.7
211.16936	100.0
251.57149	1.4
320.75314	1.4
334.88168	1.3
343.22321	3.3
492.66840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83136	0.2
53.03933	0.3
55.05508	2.7
57.03439	1.3
57.07074	1.1
60.07285	0.2
63.02372	0.3
67.05505	3.0
69.07072	2.3
69.65438	1.5
71.08624	0.8
79.05489	1.8
81.03413	1.0
81.07059	2.7
83.08619	1.5
85.06550	0.3
89.03914	4.4
91.05480	1.7
93.07048	1.7
95.04959	0.8
95.08603	1.7
97.06561	0.6
97.10174	0.7
103.05489	0.2
105.07031	1.3
107.08610	1.2
109.10163	2.2
117.03378	12.9
119.04934	0.3
119.08591	1.0
121.06493	0.3
121.09395	0.2
121.10148	1.1
123.08025	0.3
123.11708	0.4
125.09621	0.4
129.07034	0.4
131.08560	0.5
133.10147	0.7
134.03629	1.1
135.04378	1.3
135.11716	0.7
137.59607	0.2
145.02844	38.2
145.10098	0.5
146.03246	0.3
147.11676	0.6
149.05977	5.0
149.13263	0.3
157.10092	0.3
158.06015	0.9
159.11716	0.6
161.13309	0.4
162.03186	0.5
163.03908	1.2
173.11768	0.4
177.05467	100.0
178.05800	0.5
186.05515	3.5
193.12177	0.5
195.06604	1.2
225.58919	0.2
229.14362	0.7
241.19380	0.3
251.09068	0.4
259.20544	0.9
333.24167	0.5
505.31387	5.7
505.38394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2256
Annotation	Lys Glu Asn Asp
Peak:m/z	Relative Intensity
55.05510	0.8
55.23941	0.3
56.96561	0.4
57.03428	0.4
67.05509	0.6
69.03407	0.4
69.07058	0.8
70.06602	0.4
71.05000	0.4
71.60320	0.5
74.43751	0.3
75.92452	0.3
79.05499	0.6
80.88474	0.3
81.07059	8.8
84.04523	0.4
85.02894	0.7
85.06546	0.5
86.09705	0.5
91.05480	2.3
93.03403	0.4
95.04942	0.5
95.08612	2.6
97.02885	0.4
99.08094	8.4
99.08736	0.5
105.33474	0.3
107.08582	0.3
111.04464	0.9
119.04938	3.1
120.05277	0.8
127.58493	0.3
129.05426	0.5
137.06059	0.5
137.13249	1.9
145.02858	0.3
147.03217	0.6
147.04416	12.6
148.04753	2.1
153.12741	0.3
155.14339	2.2
157.04990	0.5
161.01208	0.4
177.05450	0.7
213.00668	0.3
213.09149	0.5
214.09351	0.4
237.02863	0.5
239.02422	0.4
253.12012	6.1
257.03384	0.5
271.50858	0.3
373.18130	1.6
373.56857	0.4
395.06531	0.5
401.70621	0.3
413.07584	0.5
415.19458	0.4
487.21091	0.8
505.22577	100.0
506.22897	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2222
Annotation	dorsmanin C
Peak:m/z	Relative Intensity
51.23832	0.5
53.03941	0.5
55.05514	3.8
57.07080	1.1
65.03934	0.9
67.05504	6.3
68.99791	1.8
69.03424	0.6
69.07067	6.2
70.77747	1.3
79.05492	5.3
81.03393	0.6
81.07056	11.5
83.08610	2.1
86.39056	0.5
91.05472	7.4
93.07043	10.1
95.01324	1.3
95.04977	1.2
95.08607	10.4
97.10187	0.9
105.07029	22.3
107.08589	12.0
109.10147	7.0
111.00812	1.2
115.05473	0.6
116.65596	0.5
117.06989	1.1
119.01315	0.9
119.04939	0.9
119.08578	18.4
121.02876	0.6
121.06502	0.8
121.10142	8.1
122.10934	1.2
123.04414	0.7
123.11700	3.8
127.03880	0.7
129.06995	1.0
131.08574	1.6
133.10129	11.0
134.10992	0.5
135.04440	1.2
135.11697	2.9
137.02362	1.6
137.13304	0.6
139.03958	0.7
143.08569	0.8
145.02916	0.6
145.06483	0.8
145.10152	2.0
147.04399	4.8
147.11681	13.6
148.12509	2.7
149.13246	4.0
153.01828	15.7
154.02234	0.5
159.11713	1.6
160.12398	1.0
161.05954	1.4
161.13255	25.2
162.13925	0.7
163.03870	5.0
163.14861	1.5
165.01881	2.0
165.05472	0.8
165.07019	0.6
171.04404	0.6
171.11708	0.5
173.05896	1.2
174.98082	0.5
175.03973	1.5
175.14835	2.7
175.52623	0.5
177.16429	0.9
179.03386	5.2
181.01300	0.5
187.03833	1.2
189.05489	2.0
189.16386	14.9
191.03391	0.9
201.05428	1.9
201.16351	0.8
203.03369	5.9
203.17963	11.0
204.18730	25.7
205.19402	1.5
211.07594	1.3
215.07016	0.6
217.04964	19.3
219.02893	0.8
221.04454	0.8
227.03281	0.6
227.06874	0.5
229.04988	2.4
231.02881	1.2
231.06705	0.5
239.06973	0.8
245.04440	16.4
247.05856	0.5
249.18556	1.1
257.04559	1.4
257.07977	0.5
259.06024	1.2
273.03934	33.2
274.04422	0.6
285.04108	1.0
285.07437	0.6
287.05441	1.6
297.07416	0.6
299.05603	0.6
301.03415	27.9
302.03958	1.3
303.04996	29.7
304.05493	0.6
309.07516	1.4
311.20380	0.5
313.03354	1.6
315.04959	5.8
316.60028	0.5
325.23822	1.2
327.05063	1.3
327.08780	0.7
329.06390	2.4
333.24380	1.0
337.07086	0.8
339.04971	0.8
341.06525	1.3
341.23373	0.9
353.06534	2.6
355.08258	4.6
357.10034	0.5
369.09521	1.0
381.09711	2.1
397.13379	0.6
407.11020	0.6
421.12714	1.0
449.15945	2.1
459.21695	0.8
477.22580	0.8
487.21100	1.3
505.22189	100.0
506.22394	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	505.2222
Annotation	dorsmanin C
Peak:m/z	Relative Intensity
55.01872	1.1
55.05518	7.6
57.07061	1.3
57.33228	0.9
64.68727	1.0
67.05505	11.9
68.99785	5.6
69.03393	1.1
69.06721	1.1
69.07069	13.2
70.07729	5.2
79.05486	10.9
81.03403	1.7
81.07056	19.6
83.08613	2.4
91.05476	14.4
93.07045	13.9
94.07308	0.9
95.01353	2.1
95.04964	2.8
95.08610	17.5
97.06512	1.1
97.10179	2.5
105.07037	24.9
107.08602	15.0
109.06515	1.0
109.10159	15.3
111.00797	4.6
117.07011	3.6
119.04938	1.1
119.08585	20.1
121.02863	2.3
121.10136	10.3
123.04446	1.4
123.08077	1.3
123.11716	5.3
129.06960	1.7
131.04985	1.2
131.08566	3.1
133.02861	1.7
133.06491	1.7
133.10138	11.3
135.04428	1.2
135.11708	4.2
137.02357	4.1
137.13242	1.6
139.03931	2.2
139.26122	1.0
143.08563	3.5
145.10132	4.7
147.04420	2.7
147.11700	23.0
149.02356	1.1
149.13272	4.6
151.87346	0.9
153.01830	45.5
155.04936	1.0
155.08615	1.8
159.11725	3.1
161.02274	1.1
161.05975	2.1
161.13266	6.0
163.03920	2.0
165.01894	3.5
167.08537	1.3
169.06502	1.5
171.02911	1.4
171.04408	1.3
171.11690	2.1
173.05984	2.2
173.13303	1.4
175.03920	6.8
175.14801	1.7
177.05470	1.2
177.16434	3.0
178.21713	1.1
179.03413	12.8
183.02992	1.8
183.11725	1.1
185.05992	1.2
187.03943	1.2
189.05504	3.8
189.16408	3.4
191.03424	2.5
193.10107	1.1
195.02898	3.2
197.13231	1.0
201.05519	3.0
201.16437	3.3
203.03401	27.0
203.17955	9.4
204.18619	1.5
205.04880	1.3
207.02884	3.4
213.05562	2.1
217.04964	30.4
221.04480	3.7
227.07021	1.3
229.04851	5.8
231.02837	1.5
231.06596	2.7
241.05020	1.9
245.04472	24.8
247.06009	1.1
257.04449	3.7
259.06064	8.4
271.06049	3.8
273.03943	42.3
274.04605	1.4
283.06073	2.8
285.04105	1.8
285.07672	1.5
287.05533	5.9
295.06042	2.3
297.04037	2.9
297.07495	2.6
299.05594	3.9
301.03442	26.4
301.06717	2.0
302.04083	1.4
303.05005	75.7
304.05304	1.3
307.06091	1.2
311.05603	1.9
313.03583	7.0
313.06833	1.7
315.04984	29.2
321.18539	1.3
323.05649	1.7
323.09235	1.5
335.09161	1.2
337.07092	4.1
341.06573	2.1
351.08646	1.5
353.06482	1.7
355.08084	1.4
363.08649	4.0
365.14099	1.4
375.12881	1.3
377.10281	1.3
381.09598	2.4
393.13123	1.3
403.11673	1.8
421.13013	2.9
431.15057	1.9
449.16394	1.7
449.23236	6.0
459.21664	6.5
469.20142	3.2
477.22852	8.6
487.21149	17.7
505.22223	100.0
506.22412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28680	0.8
53.03936	1.6
55.05514	5.0
56.37791	0.8
57.07060	1.2
63.56838	1.1
65.03943	0.8
67.05502	8.9
68.64817	1.0
68.99781	5.1
69.03456	1.0
69.06733	1.1
69.07060	7.7
70.09507	4.3
79.05482	7.6
81.07057	17.5
83.08612	3.4
91.05474	12.5
93.07037	11.6
95.01317	2.8
95.04955	1.8
95.08601	15.9
97.10158	1.0
105.07030	23.3
107.08595	12.8
109.06478	1.1
109.10144	11.5
111.00785	4.1
117.06998	1.5
119.07780	1.6
119.08580	17.9
121.02883	1.3
121.06474	1.5
121.10136	11.0
123.04427	1.3
123.11730	6.5
131.04959	1.5
131.08568	2.9
133.06473	0.9
133.10123	14.7
135.04390	0.9
135.11670	4.4
137.02321	3.9
139.03906	1.7
143.08479	1.4
145.10141	4.2
147.04384	3.1
147.11687	21.8
149.05965	1.5
149.13275	5.0
151.03883	1.1
153.01820	33.3
159.11649	1.3
161.05956	2.1
161.13239	9.8
163.03853	1.7
163.14871	1.2
165.01845	3.4
165.09081	6.2
171.02904	1.2
171.04346	1.4
173.05994	2.3
175.03885	5.3
175.14746	1.5
177.05482	1.8
177.16371	3.5
179.03397	10.6
183.04295	1.0
187.14751	1.0
189.05415	4.6
189.16396	5.6
191.03412	3.5
201.05432	3.9
201.16399	2.6
203.03395	22.5
203.17938	9.2
204.18704	6.1
205.12259	1.5
205.19493	1.4
207.02849	1.5
213.05402	1.5
217.04962	36.1
221.04384	1.2
227.03244	1.2
229.04955	6.1
231.02773	1.2
231.06439	1.6
241.04939	1.1
245.04442	28.8
257.04471	2.7
259.06140	4.7
267.10242	1.1
269.04297	1.7
271.05948	1.8
273.03915	57.8
274.04303	1.1
285.03918	2.3
287.05441	2.5
297.03906	2.0
298.04852	1.0
299.05414	2.7
301.03412	35.5
302.03925	1.3
303.04980	100.0
304.05396	1.4
309.07507	1.1
311.05463	1.5
313.03430	7.1
315.04962	26.1
321.18466	1.3
323.05539	1.4
329.06378	1.4
343.22458	1.7
353.06543	1.8
355.08124	2.0
363.08444	1.7
381.09607	1.5
421.12833	2.4
449.16177	2.2
459.21484	1.3
459.34509	2.0
469.20203	1.6
477.22763	1.8
487.20929	6.1
505.22070	75.1
506.22903	1.1
518.94531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01869	9.3
55.05531	2.0
57.03428	2.1
57.11907	1.7
59.03160	1.6
61.02919	4.2
65.03928	2.3
67.05492	3.6
69.03438	7.8
69.61370	3.8
69.61777	11.1
70.06586	1.7
70.09067	1.3
70.44275	1.5
77.32239	1.5
79.05515	3.9
81.03419	5.2
81.07045	3.6
83.05002	1.9
85.02908	23.6
86.09711	3.0
90.43090	1.5
91.05493	4.2
93.07067	3.4
94.04205	3.1
95.04985	4.3
95.08606	3.3
97.02870	8.9
97.06554	2.2
98.20745	2.7
99.04446	2.2
103.05479	4.8
105.01898	1.7
105.07040	3.6
107.04953	4.5
107.08593	2.2
109.02875	3.9
109.06548	2.9
111.04413	2.5
115.05453	3.6
119.08598	1.5
121.06522	2.9
122.03670	6.1
123.04492	2.6
127.03938	3.7
129.07056	2.7
131.04922	11.0
131.08585	2.2
133.06470	3.1
133.10164	2.3
135.04434	3.0
137.05981	100.0
138.06299	2.9
143.04935	2.7
145.02768	1.7
145.06488	1.7
146.03648	1.7
147.04410	9.1
149.05998	3.8
151.03902	2.5
151.07542	2.0
154.07957	1.9
155.04977	1.5
157.06581	1.6
159.04439	5.5
160.05243	1.8
161.05984	17.5
162.06740	7.9
163.03944	7.9
163.07574	5.2
165.05482	7.1
165.06818	1.8
168.93457	1.5
171.04451	5.4
173.06029	4.6
175.07512	3.5
175.14972	1.6
177.05455	11.5
179.08559	2.9
183.04414	2.1
184.68088	1.8
185.05975	5.2
187.07588	1.8
189.05447	4.1
189.07056	6.6
190.07785	6.9
191.08556	20.2
194.07257	3.3
195.08025	2.6
201.05429	2.3
203.07077	5.2
205.06546	4.3
206.07309	2.5
207.08000	10.1
209.09642	2.4
210.51163	1.5
217.06445	2.6
218.07364	4.8
219.08090	35.9
219.10100	3.0
220.08754	3.1
221.06026	3.4
222.06696	1.9
223.07495	4.6
224.08244	2.3
229.06570	5.1
231.08047	1.7
233.05991	1.7
234.06770	7.7
235.07555	14.0
236.08330	7.5
237.09059	4.3
245.06104	2.3
246.06905	2.3
247.07550	42.8
248.08293	4.7
249.09116	5.6
250.06401	2.2
251.10625	4.1
252.07915	3.7
253.15735	1.6
257.06000	2.9
261.09100	5.1
262.06149	2.9
263.07059	12.6
264.07736	11.4
265.08676	6.9
267.10172	32.0
270.08957	1.9
275.07050	34.8
276.07843	3.1
277.08618	12.2
278.09296	2.7
279.10144	11.9
280.07324	2.4
287.05460	21.6
289.08649	4.9
290.09485	2.8
291.06857	1.8
292.07379	8.9
293.08078	31.6
293.11322	2.5
295.09671	20.8
297.11066	3.3
299.05743	1.8
306.25266	2.1
307.09659	87.1
309.11154	13.6
313.10690	42.7
325.10715	67.2
327.12277	5.2
341.89307	1.8
343.11786	37.5
505.19403	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	7.8
55.05511	40.5
56.05837	7.0
57.07067	18.2
61.44883	6.0
67.05495	28.2
68.51374	6.4
69.07074	47.6
71.08621	9.3
71.60087	9.9
77.11022	6.0
79.05496	19.9
81.03431	62.2
81.07038	28.3
82.03731	9.7
83.04972	7.8
83.08633	41.8
91.05475	26.8
93.07028	27.5
95.04945	20.6
95.08615	55.9
97.10150	20.2
105.07034	41.6
107.04964	10.0
107.08585	28.8
109.10152	26.7
111.04430	8.7
117.06991	7.7
119.08591	99.8
121.10127	16.3
123.11713	7.5
129.06975	7.5
131.08565	22.5
133.10136	50.9
143.08545	7.5
145.10126	33.4
147.11694	21.1
157.10162	20.6
159.11713	50.6
161.13274	20.4
171.11676	19.4
173.13289	20.1
176.75394	6.2
185.13271	17.5
187.14832	22.4
189.16350	10.3
193.12273	22.2
194.12592	15.5
197.13271	12.2
199.14842	12.0
201.16402	28.1
213.16451	8.2
241.19543	24.9
250.15105	10.3
253.19626	11.9
255.21043	32.4
283.20535	12.3
299.20126	59.7
301.21664	71.6
504.37823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07069	0.2
53.82611	0.2
55.05504	0.5
55.13437	0.2
56.05041	0.3
58.06361	0.3
58.06625	0.5
60.08164	6.0
60.08471	0.3
60.52039	0.2
67.05503	1.5
69.07076	0.8
69.92863	0.2
69.93240	0.2
71.07374	2.6
71.59756	0.2
71.60158	0.3
79.05482	1.2
81.07047	1.8
86.09702	29.6
91.05482	1.1
93.07042	0.9
95.04948	0.2
95.08601	1.3
97.49191	0.2
98.98460	2.5
104.10741	2.6
105.07013	1.6
107.08601	1.1
109.10157	1.0
111.00809	0.2
114.96011	0.2
119.08530	1.2
121.10133	0.7
123.11739	0.3
124.99998	19.3
131.08604	0.3
133.10158	0.6
135.07956	0.2
135.11737	0.3
143.00970	0.5
145.10162	0.4
147.04404	0.3
147.11652	0.8
149.13283	0.3
153.01831	2.2
161.13290	0.4
163.03896	0.2
165.01865	0.3
168.28618	0.2
175.03867	0.4
179.03378	0.6
184.07332	100.0
185.07666	0.4
189.05444	0.3
203.03387	1.3
203.17943	0.6
217.04910	1.6
245.04507	1.1
268.01620	0.2
273.03940	2.1
301.03360	1.6
303.04953	4.6
313.03412	0.3
315.05057	1.2
332.26474	0.2
386.60046	0.2
486.29767	1.4
487.20709	0.5
488.27490	0.3
504.30960	3.0
505.15143	0.3
505.22202	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01880	1.4
55.05498	2.3
57.03417	1.8
57.07065	0.8
57.33171	0.7
61.02909	1.9
61.54211	0.8
65.03920	0.9
66.00641	0.5
67.05493	5.6
68.99767	1.1
69.03426	7.7
69.07073	4.4
70.06566	0.8
70.14868	0.6
71.04965	1.2
73.02895	1.8
75.04450	1.2
77.03903	0.6
78.78996	0.6
79.05500	3.6
81.03410	6.8
81.07052	17.8
83.04950	0.9
83.08604	2.8
85.02898	21.2
85.06519	0.8
86.09714	1.3
86.10175	0.7
87.00825	8.1
87.04441	1.0
90.32012	0.6
91.05468	7.3
93.07037	8.4
95.04969	1.3
95.08602	21.9
97.02891	9.3
97.06506	1.1
97.10154	1.0
99.04450	2.9
100.12566	0.7
102.56836	0.6
103.05480	0.7
105.01859	12.6
105.07021	19.9
107.04915	1.0
107.08591	11.6
108.04455	0.7
108.08941	0.7
109.02870	6.9
109.10158	14.3
117.06985	0.9
118.08659	4.3
119.08573	16.6
121.06474	1.0
121.10129	6.8
123.11696	5.1
125.09628	0.7
127.03911	16.2
130.78848	0.6
131.08540	1.5
133.10120	11.9
135.11676	2.9
137.05962	2.8
137.09607	0.8
137.13287	0.9
145.02933	1.2
145.04950	7.7
145.10143	2.7
147.04430	1.5
147.11679	46.7
148.12021	1.0
149.13225	3.7
159.02922	4.2
159.11668	1.7
161.09523	0.9
161.13251	6.8
163.03874	3.0
163.14760	0.8
165.05495	0.7
165.12668	0.8
167.06949	0.8
175.07507	0.9
175.14809	2.2
177.05495	1.5
189.16127	0.7
201.16344	1.7
202.16563	0.7
203.17943	100.0
204.18341	1.5
205.19580	1.5
221.18990	13.5
231.05063	4.3
239.20006	1.7
249.06009	2.2
292.01468	0.6
322.11328	0.7
433.22372	1.3
451.23294	1.1
469.23801	0.9
474.55609	0.7
504.20840	1.4
504.32477	7.5
505.12915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95103	1.0
53.03944	2.5
55.01855	2.9
55.05509	4.2
57.03439	2.5
57.07062	1.4
61.02924	1.5
64.67696	1.2
67.05520	7.0
69.03426	13.5
69.07070	6.1
69.25356	12.0
70.06592	1.8
71.04990	2.9
73.02943	2.4
75.47752	1.1
79.05497	6.3
81.03429	8.3
81.07063	31.3
83.04979	1.2
83.08631	1.5
85.02911	32.8
87.00838	12.8
91.05481	9.0
93.07052	9.1
95.04973	2.5
95.08607	37.4
97.02896	13.5
97.06513	2.9
97.10141	1.8
99.04470	5.6
101.44007	1.2
105.01871	25.1
105.06368	2.1
105.07039	21.5
107.08595	19.2
108.04492	1.3
109.02900	9.0
109.10160	16.4
111.88602	1.0
115.03940	1.7
117.07012	2.3
118.08655	1.7
119.08594	18.7
121.06413	1.5
121.10167	10.9
123.04498	1.4
123.11719	6.8
127.03931	22.9
129.01825	1.8
131.08632	2.3
133.06512	1.4
133.10136	13.3
135.03072	1.1
135.11708	4.1
137.05977	1.7
143.08559	1.5
145.04973	10.7
145.10126	3.6
147.04327	1.5
147.11699	42.1
149.13284	4.6
155.08675	1.2
159.02911	5.4
159.11656	3.5
160.12073	1.7
161.13261	6.4
163.03831	1.3
163.14825	1.5
167.07076	1.3
175.14824	1.9
177.16411	1.8
187.14842	2.0
189.04012	2.9
189.16400	3.0
201.16382	3.8
202.16702	1.6
203.05290	1.4
203.17967	100.0
205.19577	4.9
210.01906	1.4
219.17570	1.4
221.19032	26.0
231.04991	8.8
239.20035	5.6
243.24190	1.3
244.15495	1.3
245.19139	2.1
248.07610	1.7
249.06076	4.3
258.95822	1.2
301.76221	1.3
329.21350	1.7
433.22266	1.9
451.23163	4.2
504.26419	4.2
504.33163	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36035	1.2
53.03941	4.5
55.01867	4.3
55.05498	3.6
55.68303	1.3
57.03446	1.5
61.02914	2.4
67.05507	7.0
68.99747	1.5
69.03427	14.9
69.07059	5.2
69.52184	6.2
69.52621	4.3
71.04982	4.6
73.02901	3.1
79.05491	4.7
81.03426	10.4
81.07065	17.8
83.08640	2.0
85.02908	47.0
87.00826	20.5
91.05466	11.1
93.07037	10.0
95.04952	1.6
95.08607	32.3
97.02893	18.9
97.06539	1.4
97.10211	1.4
99.04449	6.4
105.01874	39.2
105.07029	21.3
107.08599	10.8
108.04454	1.3
109.02879	16.2
109.10162	25.6
112.68599	1.2
116.10683	2.7
117.01804	1.5
117.07027	1.5
118.08643	5.3
119.08578	29.7
119.09441	1.5
121.10144	9.1
123.11719	9.2
123.40230	1.2
127.03918	36.0
129.01788	1.8
131.08572	2.0
133.10144	13.6
135.04398	1.6
135.11700	9.0
137.05998	7.2
138.06313	2.3
143.10654	1.4
145.04950	18.7
145.10123	4.1
147.11687	24.1
149.13226	5.2
151.07556	1.9
159.02919	8.3
159.11743	2.4
161.06094	1.7
161.13248	9.7
163.03873	5.7
163.14812	2.5
165.12804	2.3
172.61214	1.3
175.14859	2.4
201.16377	2.9
203.17963	100.0
204.18320	2.3
205.19482	2.7
213.03908	3.1
214.18024	10.9
221.19023	22.8
221.73233	1.3
231.05022	13.3
249.06110	9.9
376.23685	1.6
433.22195	1.5
451.23285	5.3
469.24219	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	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46117	2.6
53.03931	3.9
55.05496	6.4
57.03428	5.1
57.07078	4.0
60.90139	2.4
61.02922	4.1
67.05508	16.6
69.03426	21.6
69.07069	24.2
70.20153	11.1
71.04984	7.6
79.05481	11.0
81.03416	15.6
81.07054	82.1
81.26225	2.9
83.04956	4.9
83.08598	4.5
84.04561	3.7
84.38843	2.7
85.02898	63.3
85.06512	3.6
87.00829	35.2
87.41842	2.5
91.05475	9.9
93.07053	21.6
95.08604	53.0
97.02881	22.9
97.06504	7.6
97.10157	6.2
99.04440	9.1
105.01868	52.6
105.07023	26.2
107.08584	33.6
109.02879	22.2
109.10151	33.5
111.69093	2.8
119.08594	19.7
121.10150	20.7
123.08042	3.8
123.11706	11.2
127.03918	46.6
131.08519	5.0
133.10120	35.5
135.11684	12.8
137.13229	4.2
145.04948	18.4
145.10107	3.9
147.11661	32.2
149.13229	4.9
151.14798	11.5
153.12743	4.3
159.02832	4.6
159.11696	5.0
161.13242	10.9
163.14816	5.6
165.12691	3.6
173.04529	3.5
173.13223	4.3
175.14708	4.2
189.16396	6.7
201.16464	3.3
203.17950	100.0
204.18283	4.5
214.27185	2.7
215.47772	3.1
221.19002	59.5
231.04961	16.9
249.06091	17.8
255.21031	8.4
261.06149	3.9
271.14398	6.7
283.20663	3.7
311.20062	5.1
313.15509	5.8
329.21146	5.7
386.41135	3.0
433.22141	12.6
451.23141	10.7
469.23987	4.4
504.29361	11.8
505.21826	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01883	3.1
55.05513	4.4
56.96559	0.8
57.03416	2.5
57.07056	1.5
59.04997	0.8
61.02921	3.0
62.06055	0.7
63.20893	0.5
65.03920	0.7
66.11192	0.5
67.05505	10.0
68.27604	0.6
68.57172	0.5
68.99760	0.9
69.03072	1.0
69.03429	14.3
69.07066	6.7
70.06566	0.6
71.04980	1.7
71.08633	1.2
71.12615	1.3
73.02902	2.8
79.05499	6.3
81.02984	0.7
81.03423	9.8
81.07056	35.5
82.07390	0.9
83.04968	1.7
83.08604	2.8
84.67047	0.5
85.02909	40.5
86.06065	2.9
87.00834	15.2
87.04465	0.9
91.03921	0.7
91.05483	9.6
93.07049	12.3
94.07361	0.8
95.04964	2.0
95.08611	39.6
96.08136	0.9
96.08943	1.5
97.02889	14.3
97.06523	2.1
97.10172	1.6
98.09705	1.7
99.04456	5.5
99.08077	1.8
101.02376	0.6
101.06036	0.8
105.01874	27.1
105.07033	25.5
105.07555	0.4
105.07764	0.6
106.07318	0.8
107.08598	20.2
108.04487	1.3
109.02883	10.3
109.06499	0.8
109.10161	20.6
110.10525	0.8
111.04434	1.1
111.08071	1.2
113.09634	0.6
115.03923	0.9
116.10729	3.9
117.01859	1.3
117.07029	1.6
118.87456	0.5
119.05036	0.6
119.08584	22.4
120.08894	1.0
121.06503	0.6
121.10140	10.7
123.11718	11.0
123.12578	1.1
124.12061	0.6
125.09626	0.5
126.74666	0.6
127.03921	24.1
129.01862	0.9
129.05493	0.8
131.08583	2.6
131.47629	0.5
133.10135	15.2
134.10425	0.9
135.11694	5.2
136.11972	0.6
137.05951	1.2
137.09586	0.6
137.13229	1.8
142.08612	1.8
143.08617	0.8
143.10728	0.7
144.10234	0.6
145.04950	11.7
145.10114	3.0
147.02911	0.8
147.04349	0.8
147.11691	44.6
148.12056	0.8
149.13269	3.9
153.25296	0.5
157.10175	0.8
158.10443	0.7
159.02913	4.5
159.11723	1.7
160.12157	0.5
161.13252	6.6
163.14838	1.8
164.10641	0.7
165.09151	0.7
165.12773	1.5
167.07027	0.6
173.08249	0.5
173.13315	0.9
175.14827	2.6
177.16408	1.6
181.10406	0.9
182.15369	0.9
183.11652	0.6
187.14833	1.2
189.03975	1.1
189.16397	2.1
193.19579	0.6
201.16396	1.9
203.17963	100.0
204.18341	3.3
205.19540	4.4
208.13327	1.4
213.03947	1.3
213.16379	0.7
214.18005	1.9
215.18033	1.1
219.17462	0.8
221.19009	27.5
226.14427	4.6
227.17979	0.9
228.11916	0.6
231.05006	8.6
238.18816	0.8
239.20016	5.8
244.15465	15.1
248.07698	1.0
249.06110	5.2
249.10263	0.9
266.08795	0.7
272.14420	0.7
277.09802	0.6
280.14429	1.3
280.64609	1.5
281.15192	2.6
284.09723	1.2
289.25058	0.7
305.08896	0.7
306.25137	0.6
307.10773	1.3
311.20267	0.9
321.20599	0.5
329.20981	0.8
333.08493	0.7
341.13510	0.7
342.14575	0.9
342.22806	5.1
343.15570	0.7
406.20670	1.6
429.54446	0.6
433.22183	2.1
451.23279	3.2
459.98407	0.6
469.24094	1.6
486.16556	1.3
504.18216	2.1
504.27716	2.7
505.19196	0.7
519.73480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
54.68978	1.2
55.01870	1.4
55.05511	4.2
57.07074	1.5
67.05505	5.6
69.03436	5.8
69.07068	4.5
69.28747	13.8
71.05000	1.6
71.08612	1.1
73.02892	1.7
79.05489	4.2
81.03413	5.3
81.07066	13.7
85.02915	14.0
85.06530	1.7
86.06097	1.2
87.00819	6.3
91.05477	3.9
93.07053	8.0
95.08610	22.9
97.02913	7.4
99.04450	3.9
99.08113	1.3
101.06020	1.4
105.01881	9.1
105.07037	15.1
107.08595	19.8
109.02870	5.7
109.10162	19.6
116.10739	4.3
119.08569	11.0
121.10133	7.9
123.11713	4.4
127.03913	11.9
127.63706	1.3
133.10146	9.8
135.11690	3.7
137.05942	1.3
137.13133	1.4
145.04961	5.7
145.10147	2.3
147.10532	1.4
147.11708	25.9
149.13222	4.5
159.02895	3.6
159.11725	1.3
161.13297	7.9
161.46834	1.4
163.14874	6.7
175.14844	4.3
177.16386	3.5
191.31921	1.1
196.16980	2.2
197.45322	1.2
203.17978	100.0
204.18269	3.5
205.19495	3.0
214.18047	37.3
221.19025	70.7
226.14478	1.9
231.05045	5.2
238.21786	1.9
244.15442	1.9
249.05898	2.8
284.09790	5.9
316.36414	1.3
339.37134	1.3
342.22818	8.5
376.23312	1.3
504.27975	2.0
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
51.76528	2.8
53.03933	6.7
55.01867	7.7
55.05500	5.8
57.03421	4.6
58.18357	2.6
61.02923	6.1
67.05516	18.5
67.46892	3.3
69.03431	31.3
69.07055	8.4
69.19460	2.8
73.02895	6.5
75.24976	2.7
79.05492	11.2
81.03418	23.6
81.07066	31.4
83.08620	4.5
85.02911	78.3
87.00819	30.3
87.04470	4.5
91.05495	15.3
93.07028	37.2
95.08608	54.4
97.02894	27.9
99.04448	11.3
105.01869	41.2
105.07028	44.6
107.08602	43.5
108.08910	3.3
109.02888	22.1
109.09539	4.0
109.10177	33.2
115.03876	3.4
117.06985	4.0
119.08575	43.1
120.08914	4.1
121.10162	25.4
123.11683	10.0
127.03909	54.3
131.08560	8.9
133.10150	29.9
134.10518	4.9
135.11674	12.1
137.05945	4.0
145.04985	24.2
145.10153	6.3
147.11705	35.0
148.11990	3.8
149.13208	7.1
157.10065	3.0
159.02910	13.0
159.11710	8.7
161.09673	3.1
161.13284	15.5
162.13673	4.0
163.06012	4.5
163.14764	4.7
165.12718	3.9
173.13252	9.9
175.14819	16.5
176.15173	3.9
189.12692	6.5
189.16331	5.4
190.13022	4.3
190.16780	4.2
191.14348	4.5
199.14703	3.5
201.16399	12.7
203.17963	100.0
204.18297	23.7
205.19588	4.7
221.19054	14.6
231.04956	15.7
249.06075	10.2
284.09833	4.2
329.21039	6.5
390.89053	3.2
394.31906	5.1
396.33401	4.8
407.56601	3.4
412.33173	8.7
415.20782	5.3
433.22211	9.3
440.32358	13.9
441.28665	3.5
451.23138	8.5
458.33542	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64850	1.0
53.03939	4.5
55.01870	4.8
55.05503	2.0
57.03437	1.8
61.02923	3.5
67.05505	7.3
69.03432	10.7
69.07056	3.1
70.50429	2.4
71.04974	2.2
73.02905	4.1
74.71537	1.1
79.05492	2.8
81.03426	12.1
81.07052	11.6
83.08621	1.1
84.04495	5.3
85.02903	34.5
87.00826	13.2
91.03953	1.7
91.05461	6.1
93.07035	8.3
95.08607	15.3
96.29079	0.9
97.02894	21.6
99.04469	6.7
105.01862	17.1
105.07030	15.1
107.08591	10.6
109.02869	12.8
109.10152	10.1
117.05716	1.0
117.07043	2.3
118.89138	1.2
119.08588	14.8
121.10154	6.4
123.11717	3.5
125.09641	3.2
127.03921	31.0
129.01759	1.4
131.08574	1.2
133.10135	10.6
135.11717	3.0
137.13313	1.1
138.05495	6.6
145.04962	17.7
145.10139	2.3
147.02850	1.4
147.08084	1.3
147.11684	32.8
149.13332	1.8
159.02881	9.2
161.13266	6.2
163.06064	1.1
163.14833	3.8
165.12782	2.3
167.05339	1.0
175.14857	2.3
201.16301	1.4
203.17950	100.0
204.18295	3.4
205.19550	1.1
207.10104	1.0
217.34033	1.0
221.19016	16.1
225.11310	1.6
231.05020	7.9
249.06102	2.3
283.19797	1.2
321.11777	1.8
433.76007	1.2
451.23178	1.5
496.65524	1.0
504.25870	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.05516	10.3
57.03439	6.0
67.05510	21.3
68.99797	3.2
69.03443	18.4
69.03757	3.0
69.07072	23.1
69.31215	2.7
70.16339	11.5
70.16759	5.6
71.05000	7.5
71.15754	3.4
73.02924	5.7
79.05490	18.6
81.03421	9.8
81.07067	45.5
83.04987	4.8
83.08617	8.4
85.02913	47.2
85.06520	7.5
87.00836	11.7
91.05447	19.7
93.07050	46.5
94.07363	4.9
95.04978	8.1
95.08613	60.8
97.02895	18.8
97.06504	4.0
99.04442	6.1
105.01861	11.6
105.07040	43.5
105.07691	4.8
106.07412	3.9
107.08593	47.9
108.08913	4.4
109.02891	8.5
109.06532	5.7
109.10166	62.1
111.04420	5.5
111.08080	8.8
117.07021	5.6
119.08590	42.4
120.08904	6.3
121.06556	4.7
121.10156	31.4
123.11716	14.5
125.09680	3.6
127.03911	29.2
131.08572	7.8
132.08888	5.0
133.10136	28.6
134.10448	8.2
135.11700	27.2
136.12045	4.8
145.04959	14.8
145.10146	10.7
147.04333	5.8
147.08052	3.3
147.11694	48.5
148.12076	5.6
149.13263	10.0
155.08545	5.0
159.02946	4.1
159.11757	4.6
160.11949	3.4
161.13255	21.2
162.13643	6.5
163.11226	3.6
163.14815	6.7
165.12820	3.7
173.13284	9.3
174.13655	7.0
175.14815	9.1
176.15219	3.3
177.16411	8.6
187.14833	7.6
189.12845	5.1
189.16400	7.6
190.16736	3.8
191.14291	5.1
197.08116	9.4
202.16786	4.5
203.17973	100.0
204.18300	36.4
221.18993	18.3
231.05032	4.7
239.20055	4.3
290.08243	3.7
394.31769	4.5
412.32947	8.6
440.32422	25.6
458.33444	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01866	4.9
55.05500	10.5
57.07074	3.6
67.05500	22.4
69.03410	4.1
69.07075	13.2
70.86379	5.3
71.04955	3.0
73.53400	2.3
79.05492	14.3
81.03382	2.7
81.07054	58.2
83.08605	7.4
85.02888	10.4
85.06506	2.6
87.00829	4.8
91.05479	27.7
93.07040	100.0
93.07626	4.9
95.04954	7.4
95.08598	45.5
97.02876	8.8
97.06543	2.5
97.10137	3.3
99.04483	3.0
105.01851	4.0
105.07024	43.8
107.08587	48.6
109.02831	2.4
109.10144	50.7
110.10509	2.6
111.08072	27.9
116.34239	2.1
119.08575	37.8
121.10119	29.1
123.11684	16.3
125.09638	6.2
127.03885	8.5
131.08603	3.2
133.10141	24.3
135.11684	55.4
143.28886	2.3
145.04985	4.2
145.10121	3.0
147.11674	47.9
149.13251	6.2
153.01826	3.9
161.13274	18.1
162.99168	2.5
163.14813	8.7
163.88681	2.2
165.12737	4.6
172.60600	2.2
175.14813	5.7
177.16418	4.1
192.00613	2.1
203.17952	61.3
204.18294	6.2
221.18971	9.3
231.04910	4.4
257.08047	4.4
412.33292	3.1
458.33414	4.0
490.31149	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
55.01868	2.5
55.05513	36.3
57.03428	1.7
57.07074	14.4
62.54477	1.0
63.11551	0.9
65.03929	1.0
67.05505	13.6
69.03413	2.4
69.07068	36.3
69.38799	10.1
71.04968	1.0
71.08627	8.4
72.89898	0.9
74.12756	1.1
79.05492	11.1
81.03417	79.9
81.07061	9.8
83.04969	3.8
83.08618	45.0
85.06546	1.0
85.10178	3.6
91.05479	16.4
93.07052	6.2
95.04961	20.9
95.08593	4.1
97.02908	1.5
97.06562	1.6
97.10166	24.1
98.21426	2.0
105.07027	11.4
107.04946	5.3
107.08594	3.0
109.06544	1.6
109.10174	1.4
111.04482	1.1
111.08087	5.7
111.11736	8.4
111.78424	1.0
115.05490	1.1
117.06984	2.3
119.08590	10.4
121.06494	2.5
121.10125	4.8
123.08110	2.2
125.13314	1.6
129.07005	9.4
131.08566	7.6
133.06485	3.2
133.10126	2.9
139.66750	0.9
142.07796	2.1
147.08098	2.8
147.11688	5.3
149.09628	3.3
151.03236	1.1
157.10130	6.6
159.02986	0.9
160.98563	0.9
165.12813	1.4
175.11183	7.5
185.13268	0.9
193.12231	29.2
231.13863	1.1
236.21297	0.9
237.22160	2.6
249.14871	6.9
500.55344	1.1
503.37375	100.0
504.37811	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37745	2.2
55.05505	4.4
67.05517	7.0
69.07074	8.7
69.42706	21.9
79.05487	4.2
81.07060	17.1
83.08626	3.4
85.02892	3.1
91.05481	5.1
93.07034	15.8
95.08611	30.3
97.10166	3.1
105.07040	29.8
107.08583	23.3
109.10152	18.6
119.08598	25.3
121.06493	5.9
121.10146	19.3
123.11755	4.3
129.06932	2.5
131.08565	16.5
133.10139	21.7
135.08026	3.3
135.11696	8.2
135.62022	2.6
137.05988	5.7
143.08594	3.4
145.10159	16.5
147.08035	5.0
147.11702	18.1
149.13268	10.9
157.10135	4.8
159.11671	8.0
161.09650	10.0
161.13287	15.5
163.11171	4.0
163.14854	22.3
171.11765	4.6
173.13271	20.6
175.14832	19.8
177.16393	11.4
187.14847	11.0
189.12798	15.3
189.16382	19.8
191.14339	15.2
193.15959	2.8
199.14854	5.3
201.16396	5.6
203.14282	4.5
203.17978	100.0
205.12195	3.9
205.19647	3.0
207.13820	4.5
231.21091	3.4
243.17567	6.2
249.18684	4.1
393.31735	11.5
395.33139	6.3
411.32455	19.1
421.30917	4.8
439.32138	36.1
457.33160	52.5
485.32532	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	503.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.5
61.69534	1.4
67.05501	10.0
69.03404	2.0
69.07085	7.9
69.81223	1.2
71.60154	2.3
74.41058	1.2
79.05484	5.5
81.07062	18.7
83.08626	3.3
85.02903	5.8
91.05463	7.6
93.07049	15.1
95.04987	3.4
95.08604	31.8
97.02899	2.7
97.06533	1.9
97.10143	2.4
99.08054	2.0
105.07031	22.5
107.08591	21.1
109.10163	17.4
117.06980	2.7
119.08579	25.1
121.06503	8.2
121.10146	15.7
123.11710	5.2
129.06973	1.5
131.08559	15.2
133.10121	20.1
135.11716	8.6
137.05978	6.6
143.08582	3.6
145.10104	17.5
147.08029	3.5
147.11684	19.8
149.09615	3.7
149.13255	12.6
156.09303	1.5
157.10110	4.2
159.11688	6.2
161.09613	10.7
161.13245	17.2
163.07559	1.6
163.11200	4.6
163.14842	17.8
167.05573	1.4
171.11653	3.8
173.13283	19.9
175.11212	2.3
175.14819	15.7
177.09082	2.0
177.16362	10.7
179.10768	2.5
179.14359	1.9
183.11652	2.3
185.13257	2.8
187.14804	11.8
189.12738	15.0
189.16364	19.9
191.14313	14.5
191.17908	3.4
193.15854	1.7
199.14816	5.1
201.16393	6.1
203.17957	100.0
205.12297	1.4
205.15990	1.6
205.19441	2.0
207.13792	6.1
213.16420	2.7
215.14275	2.9
215.17999	1.8
217.15788	1.9
217.19569	2.1
219.13739	3.8
221.15359	2.1
221.19044	1.9
231.17470	1.8
235.13307	4.0
235.16908	2.3
243.17445	5.9
247.16959	1.4
249.18513	7.1
253.14417	2.0
274.99069	1.5
311.12726	2.0
375.30203	1.9
377.31970	5.6
393.31442	11.4
395.33102	7.9
411.32593	19.0
421.30966	8.0
423.32205	2.9
439.32065	35.8
441.33395	1.7
457.33130	53.1
467.31296	2.9
503.26343	3.1
503.33734	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	503.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05504	5.5
57.03436	1.8
59.00863	1.5
67.05495	11.1
68.86224	1.5
69.03432	3.2
69.07072	5.3
69.33426	8.1
69.33856	8.9
71.04971	1.7
71.76150	1.5
79.05492	9.3
81.07059	20.5
83.04967	2.1
83.08617	3.9
85.06548	2.2
91.05442	9.4
93.07049	17.3
95.08601	29.7
97.10181	3.0
98.21473	3.6
105.07035	26.2
107.08595	24.4
109.02833	1.7
109.10155	20.9
111.04446	1.7
115.23840	1.6
117.07069	3.2
119.08580	23.2
121.06522	6.2
121.10149	15.0
123.11703	7.5
127.03898	2.4
131.08568	15.1
133.10121	24.8
134.98170	3.4
135.08073	2.6
135.11699	8.3
137.05984	6.1
143.08569	4.6
145.10144	16.9
147.04378	1.6
147.08066	5.5
147.11694	15.9
149.09583	3.1
149.13240	12.6
153.01817	2.2
157.10153	4.8
159.11681	10.5
161.09641	5.2
161.13264	15.6
163.11160	4.1
163.14830	17.8
171.11717	3.6
173.13252	19.8
175.14850	17.8
177.16408	13.7
185.13214	3.2
187.14839	11.4
189.12744	15.9
189.16359	16.7
191.14304	11.6
191.17966	4.3
199.14838	6.4
201.16429	7.1
203.14198	3.2
203.17955	100.0
205.19597	2.4
207.13774	4.5
213.16493	2.1
217.15965	3.1
219.13737	2.8
221.15401	2.4
243.17479	5.4
245.15216	2.3
248.79950	1.8
249.18471	3.5
253.14307	1.9
299.06104	2.2
377.32141	4.4
391.24557	18.5
393.31497	12.5
395.32990	7.7
411.32571	19.9
421.31046	6.8
423.32309	2.5
439.32120	26.8
441.33597	1.8
457.33130	50.7
457.90619	1.7
485.32724	2.9
503.24197	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	503.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14322	1.6
51.71289	1.8
51.72696	1.7
55.05507	3.3
67.05521	4.2
69.07072	5.4
69.19899	1.8
70.80297	5.1
70.80646	2.0
79.05501	4.0
80.60133	2.2
81.07050	15.2
91.05489	5.1
93.07050	11.1
95.08614	25.2
96.76105	1.9
97.06548	2.1
99.08116	2.0
105.07024	22.0
107.08584	19.6
108.44444	1.7
109.10157	17.0
110.27975	1.6
117.59116	1.9
119.08574	17.3
121.06504	6.0
121.10138	12.9
122.56084	1.9
123.08101	2.0
123.11733	5.5
131.08607	11.0
133.10135	21.9
135.11700	7.6
136.51135	1.9
137.05980	4.7
137.13255	2.2
145.10126	11.5
147.08070	4.0
147.11699	17.1
148.42809	1.8
149.13277	13.0
157.10081	3.8
159.11707	6.1
161.09627	7.2
161.13275	13.1
163.11230	2.7
163.14870	15.0
171.11688	5.8
173.13255	22.2
175.11229	2.6
175.14857	20.6
177.16393	12.9
185.13277	2.3
187.11334	1.8
187.14851	7.8
189.12718	11.7
189.16382	17.4
191.14297	14.2
191.17931	3.1
199.14870	4.0
201.16365	4.8
203.17958	100.0
205.19455	2.4
207.13855	6.5
213.16367	2.4
217.15851	2.1
219.13826	2.9
221.15271	3.1
235.13297	5.5
235.17036	2.3
237.14842	2.3
243.17413	7.5
247.16954	2.2
249.18449	5.2
253.14418	2.7
375.30670	2.9
377.32108	5.0
393.31625	10.1
395.32983	6.8
411.32623	19.2
421.30942	5.9
423.32455	3.7
439.32062	34.2
451.87115	2.2
457.33188	50.3
485.33173	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.7
65.14793	1.1
65.54322	1.3
66.36094	1.2
67.05494	6.1
69.03407	4.3
69.07072	8.0
69.93050	4.6
69.93468	2.4
79.05478	5.7
81.07054	17.9
83.08614	3.9
85.02898	10.5
87.00846	1.5
91.05450	6.9
93.07040	14.5
94.06527	1.2
95.08048	2.1
95.08609	29.2
95.14258	1.3
97.02882	5.1
97.10145	2.2
98.20810	1.7
99.08092	2.3
105.01848	2.2
105.07035	27.7
107.08592	24.1
108.08878	1.3
109.02869	4.3
109.10161	15.1
111.11725	1.6
117.06999	1.9
119.08578	26.4
121.06477	6.5
121.10143	19.6
123.08038	1.4
123.11678	5.0
127.03889	7.1
129.07045	1.6
131.08580	13.2
133.10124	19.9
135.11688	10.7
137.05952	6.7
143.08565	3.7
145.04919	4.4
145.10130	15.6
147.08029	2.5
147.11674	16.9
149.09660	2.2
149.13255	10.3
157.10132	4.1
159.08046	1.9
159.11726	8.0
161.09592	7.1
161.13268	13.5
163.07507	1.4
163.11191	2.6
163.14835	17.0
171.11719	4.5
173.13268	21.6
175.11105	1.9
175.14824	15.4
177.09019	2.3
177.16389	10.5
179.14230	1.8
185.13266	3.8
187.14832	9.7
189.12738	12.4
189.16357	17.0
191.14357	11.2
191.17940	4.9
199.14781	4.5
201.16422	7.2
203.17949	100.0
204.18114	1.5
205.19440	2.6
207.13818	5.3
213.16257	3.0
215.14252	2.6
215.17958	2.6
217.08888	1.5
217.12274	1.6
217.15927	2.5
219.13829	3.2
219.17422	3.5
221.15321	2.5
227.17981	1.6
229.15862	2.2
231.04880	1.7
231.17467	1.6
231.20981	2.1
235.13229	2.9
235.16882	2.6
237.18472	2.5
243.17455	7.8
247.09401	1.6
247.16919	2.7
249.18399	6.0
253.14359	3.1
255.17348	1.5
255.23126	2.5
375.30469	3.1
377.31992	3.5
383.32907	1.6
393.31454	10.3
395.33020	6.2
411.32672	16.3
421.30936	5.3
423.32544	2.5
439.32129	30.5
441.33081	1.4
457.33139	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	503.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.5
67.05499	5.6
69.07059	8.6
70.65987	8.6
79.05495	6.5
81.07056	20.2
89.37589	2.3
91.05486	11.0
93.07069	13.7
95.08612	31.5
97.10183	2.5
105.07032	30.5
105.07700	4.1
107.08598	24.8
109.10152	15.9
116.34277	2.6
119.08585	29.1
121.06504	7.5
121.10136	13.1
123.08068	2.2
123.11708	8.5
129.06990	2.5
131.08588	18.9
133.10129	21.5
135.07979	2.9
135.11690	8.0
137.05945	6.6
143.08568	2.6
143.76027	2.2
145.10121	18.9
146.61050	2.1
147.08076	5.8
147.11684	16.2
149.09608	2.3
149.13298	12.5
157.10144	4.7
159.11684	6.7
161.09634	6.3
161.13252	18.8
163.11180	4.3
163.14839	14.5
163.91188	2.6
171.11620	3.7
173.13252	24.4
175.14804	21.2
177.16377	10.7
185.13120	3.1
187.14848	7.7
189.12766	14.1
189.16373	17.5
191.14291	15.3
191.17975	3.0
199.14899	6.3
201.16370	8.3
203.14355	3.3
203.17955	100.0
205.12233	2.8
205.15857	2.5
205.19554	2.6
207.13922	3.6
213.16423	3.3
215.17909	2.5
235.13287	5.3
243.17441	5.4
249.18561	6.3
287.22961	3.3
322.55301	2.4
393.31250	13.6
395.33115	7.8
411.32507	19.4
421.31207	4.3
439.32129	33.6
457.33188	46.4
467.31561	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	503.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.5
67.05505	6.0
69.07072	9.8
69.65896	9.3
73.10654	1.6
79.05480	7.9
81.07053	14.5
83.08614	2.1
91.05494	5.0
91.20205	1.5
93.07040	13.6
95.04975	2.5
95.08611	28.6
99.08154	1.7
100.97273	1.5
105.07022	28.2
107.08592	22.4
109.10152	16.9
119.08591	27.5
121.06506	8.6
121.10152	14.6
123.11716	5.9
129.07027	2.0
131.08546	14.6
133.10133	18.5
135.11682	9.6
137.05988	5.1
145.10139	16.7
147.08043	6.1
147.11681	18.7
149.09598	2.3
149.13243	12.5
157.10120	3.1
159.11673	8.5
161.09657	7.8
161.13264	18.4
163.11151	4.4
163.14815	19.8
171.11728	5.2
173.13260	23.8
175.11229	2.5
175.14845	19.7
177.16405	13.2
185.13223	3.4
187.11182	2.3
187.14775	8.9
189.12784	13.9
189.16371	20.0
191.14342	13.1
191.17975	4.9
199.14838	4.5
201.12923	1.5
201.16339	8.3
203.17957	100.0
205.15726	2.0
205.19484	2.7
207.13850	6.1
217.15833	2.4
219.13841	3.4
227.17725	1.9
233.97758	1.5
235.13307	5.3
243.17422	5.7
249.18588	6.0
253.14226	2.4
253.19794	2.2
311.12622	1.8
377.32162	3.9
393.31506	10.1
395.33185	7.8
411.32687	15.4
421.31186	5.3
423.32538	2.7
439.32095	29.9
457.33139	49.6
467.31619	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	503.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.6
57.07059	1.9
67.05499	4.5
69.07061	7.9
79.05501	5.5
81.07054	17.3
83.08603	2.0
91.05479	7.0
93.07051	15.6
94.35827	1.8
95.08614	27.0
98.21499	5.0
99.08091	3.3
105.07025	25.0
105.93692	1.5
107.08594	23.0
109.10148	16.3
109.70400	1.7
117.06999	2.1
119.08582	29.9
121.06524	6.9
121.10152	13.0
123.08081	1.8
123.11716	6.5
131.08575	16.7
133.10132	25.2
135.08087	2.4
135.11688	10.1
137.05998	5.4
145.10156	14.1
147.08096	3.4
147.11678	17.9
149.13274	11.5
150.70941	1.7
157.10133	5.4
158.11029	1.7
159.11681	7.1
161.09622	7.5
161.13260	17.3
163.11179	3.7
163.14766	14.3
168.78716	1.4
171.11670	5.0
173.13281	19.3
175.11240	1.8
175.14836	18.2
177.09111	2.9
177.16393	10.3
183.11656	1.8
185.13245	1.9
187.14824	8.0
189.11304	1.7
189.12784	11.0
189.16373	14.6
191.14302	13.1
191.17918	5.1
193.15852	2.5
199.14838	4.9
201.16411	6.4
203.17955	100.0
205.12280	2.3
205.19499	3.9
207.13780	4.3
215.14398	2.8
217.15785	2.0
219.13821	3.4
227.17964	1.8
231.21201	2.0
235.13274	3.2
243.17500	5.5
245.22943	1.9
249.18530	6.3
263.43045	1.8
265.75278	2.0
311.12531	5.6
375.30664	1.8
377.31897	4.6
393.31555	10.4
395.33060	7.5
411.32617	17.4
421.30707	4.9
423.32813	3.2
439.32095	33.8
457.33154	51.3
457.49673	1.7
459.43469	2.1
485.32791	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.01884	6.1
55.05521	16.3
57.03435	9.2
57.07081	5.2
59.05006	6.2
61.02908	2.4
64.48304	2.1
66.58303	2.2
67.05511	35.4
69.03429	11.1
69.07075	66.5
69.63469	18.2
71.04990	8.8
71.08641	2.7
73.02929	3.4
74.04714	2.3
79.05503	26.6
81.03410	6.3
81.07063	94.6
83.04999	5.1
83.08611	7.3
85.02921	21.9
85.06533	11.6
85.07633	3.1
87.00847	4.4
87.04411	4.2
91.05469	21.2
93.07050	94.6
95.04969	18.5
95.08614	76.1
97.02892	11.6
97.06542	17.2
97.10168	5.3
97.57633	2.6
98.21424	4.1
99.04462	6.8
103.05486	4.6
105.07042	40.7
105.07697	4.5
107.07951	3.8
107.08612	41.5
108.73376	3.3
109.02881	5.0
109.06540	10.0
109.10157	31.1
111.04430	3.6
111.08091	14.8
111.11741	3.9
115.03940	2.7
117.07041	4.3
119.04949	4.8
119.08586	33.2
121.06567	5.7
121.10157	67.3
123.08067	8.9
123.11721	100.0
125.09634	10.9
125.22356	2.8
127.03911	9.8
129.05440	3.1
129.07019	3.1
131.04951	7.6
131.08556	17.5
133.10158	24.6
135.08078	7.5
135.11696	23.5
137.05994	22.4
137.09622	5.8
137.13254	6.7
139.11208	17.5
141.40999	2.3
143.08557	5.5
145.02895	2.7
145.05002	3.9
145.10129	24.6
147.04442	5.8
147.08008	3.5
147.11670	21.6
149.05927	2.2
149.09604	8.0
149.13293	15.2
151.07516	2.6
151.11214	9.7
151.59842	2.5
153.12790	3.2
157.10144	8.3
158.02701	2.8
159.11661	16.1
161.06029	4.7
161.09641	2.9
161.13269	17.2
163.07515	3.4
163.11211	5.8
163.14888	5.0
165.12782	5.1
167.10692	20.7
171.11772	4.3
173.02269	2.5
173.13261	11.0
175.07590	6.9
175.14851	10.1
177.05495	5.3
177.12781	6.0
177.16347	6.5
185.13255	5.5
186.02219	3.6
187.07611	2.8
187.14885	8.7
189.12746	3.7
189.16414	8.5
191.14304	5.8
199.14806	4.1
201.16425	5.9
203.17975	7.5
205.15982	3.8
207.17416	3.7
208.07317	2.6
213.16405	6.0
219.17485	7.6
221.15359	2.8
223.17107	2.3
227.17863	2.9
231.17526	2.9
237.14809	2.8
237.18433	11.1
239.10730	2.8
243.04492	5.2
249.18678	3.7
255.19583	3.8
266.58664	2.6
269.22702	7.4
271.03854	2.8
287.23770	11.3
289.04855	5.4
293.08530	3.9
299.05856	3.5
305.24759	21.6
309.17075	4.0
310.65439	2.3
311.12793	12.7
323.25851	64.6
351.08612	2.7
421.31183	3.2
439.32019	5.2
457.32974	2.5
467.31808	3.3
503.19492	4.8
503.24710	2.9
503.32538	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	503.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44657	0.9
55.01868	1.1
55.05499	2.2
57.03433	1.0
58.35764	0.7
61.12963	0.8
67.05501	3.6
69.03426	4.9
69.07087	3.8
70.11341	3.1
71.04972	2.0
73.02898	1.8
78.45301	0.9
79.05507	4.0
81.07063	13.8
83.05008	1.0
83.08594	1.1
85.02908	3.8
86.09702	1.6
87.08051	0.7
91.05457	4.2
93.07056	5.9
95.04964	2.6
95.08611	7.0
97.02898	1.9
97.06534	1.8
105.07024	4.9
107.08597	17.7
109.05878	0.8
109.06515	5.1
109.10171	8.3
111.90907	0.8
115.05435	1.2
117.07033	1.8
119.08595	4.0
121.06493	2.5
121.10134	10.2
122.07277	2.2
123.08064	1.6
123.11703	3.4
125.09678	1.4
127.03915	1.3
131.08556	1.8
133.10136	100.0
134.10507	1.4
135.08058	12.3
135.11697	3.6
137.06079	3.8
137.09625	52.7
137.13179	1.0
145.10118	1.4
147.11650	4.0
149.13260	10.5
151.11151	1.6
153.12778	6.1
159.11699	1.2
161.13350	1.0
163.14778	2.4
165.12810	1.3
169.12190	0.9
173.13284	6.5
189.12717	1.0
191.14316	56.4
192.14642	1.0
209.13449	1.7
209.15382	29.2
219.17384	1.3
251.10448	3.2
255.19582	1.2
269.11447	1.3
269.22665	0.9
287.23703	0.8
305.24841	2.2
323.25815	1.3
328.08841	0.8
330.87411	0.8
503.20035	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	503.2485
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.05504	2.2
67.05499	2.8
69.03425	4.5
69.07071	2.5
70.06589	2.0
70.08007	0.6
70.99243	1.5
70.99596	0.8
71.04979	1.8
72.08152	0.8
73.02904	1.4
79.05499	3.5
81.03397	0.7
81.07056	10.2
83.04975	1.4
83.08601	0.8
84.04489	0.9
84.08144	0.9
84.23286	0.7
85.02913	3.4
86.09682	1.0
91.05459	4.1
93.07062	4.1
95.04955	1.2
95.08598	3.2
95.35412	0.7
97.02902	2.3
97.06552	0.8
98.55241	0.7
99.04474	0.6
105.07027	5.1
107.05015	0.8
107.08604	15.6
109.06527	5.3
109.10168	6.4
111.08095	0.6
113.37431	0.6
115.03928	0.8
115.05497	1.3
117.07008	3.3
117.53053	0.6
119.08587	2.5
120.86099	0.6
121.06498	1.6
121.10140	8.9
122.07285	3.8
123.08083	1.3
123.11780	0.8
125.09629	0.6
127.03938	1.5
128.07060	1.6
131.08540	1.6
133.10135	100.0
134.10472	0.9
135.08052	10.7
135.11708	4.0
137.06010	4.0
137.09621	69.3
137.13240	1.7
145.04955	0.8
145.10127	1.2
147.04492	1.0
147.11690	1.9
149.09706	0.8
149.13260	9.7
151.11192	1.1
153.12758	5.6
156.23384	0.6
158.10886	1.2
161.05984	0.7
163.07504	1.0
163.14871	2.9
173.13266	5.9
175.07590	1.2
191.14313	63.3
209.15366	14.8
238.39714	0.6
251.10512	2.6
308.12512	0.8
351.67752	0.6
503.09686	1.9
503.19028	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	503.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
53.55820	1.2
53.75104	1.0
55.05502	4.8
57.07066	5.1
65.03932	1.7
66.89519	1.3
66.92422	1.1
67.05499	9.3
67.22208	1.2
69.03439	5.7
69.07074	10.7
71.08621	1.2
71.43276	2.5
72.08154	1.5
79.05494	8.2
81.07058	100.0
83.04992	8.8
85.02903	4.2
86.09709	1.6
88.48557	1.3
91.05482	18.4
93.03419	2.1
93.07046	80.5
94.07347	1.8
95.04979	8.2
95.08611	44.0
97.02878	1.9
97.06495	2.8
98.98470	4.1
105.07027	3.5
107.04945	1.6
107.08600	41.2
109.10137	3.4
111.04459	10.1
111.28111	1.2
119.04931	12.2
119.08577	1.8
121.02845	2.8
129.05475	9.2
131.04868	1.2
135.11691	92.2
136.12057	2.9
137.05978	2.0
137.13257	73.2
139.03856	6.9
145.02806	1.7
147.04422	34.2
147.06464	7.3
153.12749	2.4
157.04990	8.0
175.06026	3.7
177.05515	1.7
193.07028	6.2
213.09140	3.0
233.09375	23.4
235.10933	63.9
251.10454	14.5
253.11958	5.6
267.50360	1.4
278.19772	1.3
299.06152	1.6
311.08972	1.9
382.29181	1.4
449.97525	1.5
503.20990	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	503.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01869	16.5
55.05517	20.3
57.02401	2.3
57.03437	23.6
59.04997	4.9
61.02929	4.6
65.03935	3.5
67.05509	24.3
69.03426	22.7
69.07068	24.7
70.75852	4.6
70.76212	5.1
71.01358	29.8
71.04996	8.1
73.02918	41.6
74.50681	2.1
79.05498	45.5
81.03413	7.0
81.07059	65.6
83.01344	4.8
83.04993	22.4
83.08607	5.2
85.02905	83.2
85.06550	10.4
86.09706	3.9
87.00801	3.0
91.05473	37.4
93.07048	95.8
94.04181	3.1
95.01344	9.1
95.04970	23.3
95.06100	2.6
95.08604	36.7
97.02911	20.1
97.06531	28.2
99.00820	9.1
99.04447	18.3
101.02376	11.6
101.06011	3.8
103.03939	11.6
103.05454	3.4
105.07038	77.2
107.04955	8.4
107.08601	77.1
109.02804	3.3
109.06538	22.5
109.10150	20.0
111.08089	11.9
111.11730	4.4
113.02362	30.7
115.03879	3.4
115.05490	4.1
117.05492	3.9
117.07019	5.7
119.04965	5.0
119.08586	52.8
121.06508	36.3
121.10126	16.7
122.03681	2.8
123.04425	3.5
123.08083	5.9
123.11691	12.6
125.06017	11.3
127.03889	6.8
127.07564	8.7
129.05495	17.4
129.07016	6.5
131.03398	17.8
131.08589	14.0
133.06496	5.2
133.10126	36.0
135.04457	3.2
135.08046	24.8
135.11734	5.4
137.05975	24.2
137.09575	5.1
139.07539	12.2
139.11203	3.9
141.01843	21.5
142.07726	5.6
143.07036	17.6
143.08528	13.8
145.04962	3.1
145.10115	20.4
147.04408	9.0
147.08038	8.1
147.10493	5.5
147.11687	100.0
149.09645	3.0
149.13235	8.1
151.07504	3.3
151.11230	4.3
155.07074	3.0
156.09373	6.6
157.08742	4.2
157.10129	20.1
159.02869	8.6
159.06560	4.2
159.11714	9.5
161.09605	3.7
161.13264	23.5
163.11200	3.5
163.14928	3.3
165.12741	25.6
166.07814	2.7
169.04919	3.7
171.10214	4.1
171.11668	26.2
173.09605	4.9
173.13264	6.5
175.07594	8.0
175.11205	30.6
175.14853	4.3
177.05453	2.5
181.10110	2.9
185.11761	6.2
187.06071	2.8
187.14792	2.5
189.12747	35.6
191.14281	6.4
193.12239	32.1
197.04459	3.1
199.11174	14.7
199.14787	2.7
201.00676	4.2
201.16397	5.3
202.63092	2.3
207.13808	32.0
209.15407	5.4
211.13304	5.7
215.05434	13.4
217.12224	56.4
219.01964	3.3
219.17519	4.3
221.59419	2.8
235.13303	47.0
237.18530	4.8
253.14342	22.9
267.16031	3.4
287.23785	3.8
291.15771	2.9
299.06311	2.5
305.08636	4.6
305.24719	2.9
309.16913	16.3
311.12827	6.0
323.12860	4.1
323.25836	10.0
327.18005	31.8
351.18283	3.2
467.19333	5.8
503.21255	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01866	3.3
55.05507	5.9
56.04113	1.6
56.96569	1.2
57.03427	4.3
58.62957	1.2
60.27746	1.2
60.80592	1.2
63.84903	1.2
67.05505	5.1
69.03429	5.8
69.07069	7.7
69.39600	10.2
69.40018	3.1
71.01345	1.8
71.04989	3.5
73.02908	4.8
79.05487	15.4
81.03404	3.3
81.07055	21.7
83.04971	4.0
85.02907	9.4
85.06545	5.1
87.00827	1.9
91.05466	14.3
93.07043	67.3
95.01331	4.4
95.04965	7.0
95.08603	10.8
97.02880	4.6
97.06528	17.0
98.21447	3.0
99.04445	11.3
101.05975	2.5
103.03954	3.2
105.01868	2.1
105.07026	26.7
107.04971	1.9
107.08595	13.5
109.02940	1.5
109.06545	10.7
109.10146	4.6
111.08078	4.7
113.06026	1.7
115.07570	4.4
117.07025	2.8
119.04935	2.7
119.07783	2.7
119.08577	21.4
121.06508	34.2
121.10152	4.0
123.04431	1.8
123.08086	1.5
123.11731	3.5
125.05991	1.7
127.03903	2.5
127.07564	5.6
129.05473	5.3
129.06952	3.6
131.08566	8.8
133.06447	2.5
133.10127	17.0
135.04387	1.9
135.08080	4.4
135.11665	2.4
137.05995	5.7
139.07533	44.8
141.01823	4.3
142.07790	3.6
143.08545	8.2
145.10153	11.4
147.08075	7.3
147.11687	28.4
149.13263	2.8
151.07542	2.1
155.08531	2.3
156.09300	3.5
157.10118	12.3
159.11696	4.2
161.01096	1.5
161.06017	2.1
161.09671	3.3
161.13263	14.3
163.03847	2.4
163.86699	1.4
171.11696	15.8
173.09633	3.5
173.13284	4.6
174.10452	1.7
175.07631	3.9
175.11169	16.4
177.16373	1.7
182.15340	1.6
187.14824	3.0
189.11104	2.9
189.12746	32.5
189.16313	2.1
191.14325	2.6
193.12340	1.5
195.10176	9.2
199.11238	9.4
199.14951	1.9
201.16330	3.0
202.16742	3.8
203.17921	7.3
207.13844	13.4
217.12241	47.4
234.99023	3.6
235.13264	21.4
237.18474	2.2
244.15367	2.8
253.14291	8.0
291.15878	7.7
292.24274	1.5
309.16974	100.0
323.25809	1.5
363.02878	1.6
371.11713	1.4
439.31735	2.6
457.33176	3.9
485.20142	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	503.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61290	1.3
53.03941	4.0
53.92597	1.3
55.01856	3.0
55.05499	6.3
57.03428	5.9
67.05494	6.2
69.03420	6.6
69.07066	11.5
69.81960	5.2
69.82373	4.1
71.01344	1.4
71.04981	5.1
73.02914	2.8
79.05487	16.8
79.12701	1.4
79.56892	1.3
81.03424	2.1
81.07056	25.3
83.04983	3.4
83.08603	3.3
85.02898	10.1
85.06536	6.6
85.54399	1.4
85.67332	1.5
86.73132	1.5
87.00809	2.2
91.05465	16.6
93.07047	69.3
95.01318	3.6
95.04961	8.6
95.08592	12.2
95.79124	1.4
97.02886	6.8
97.06543	16.8
99.04448	12.8
100.11248	1.9
101.06062	1.8
103.03919	3.2
105.01856	2.9
105.07032	30.6
107.08595	18.2
108.08934	1.6
109.02877	2.6
109.06506	7.8
109.10156	8.3
109.58411	1.7
111.08073	4.3
113.02361	1.5
115.03938	2.6
115.07535	3.9
117.07085	2.4
119.08588	25.1
121.06512	29.2
121.10148	8.8
123.08026	2.3
125.05941	1.4
127.03911	3.5
127.07520	7.7
129.05484	5.0
129.07005	3.8
130.07765	1.7
131.03439	1.7
131.04884	1.6
131.08585	7.2
133.06488	3.4
133.10139	16.2
135.08047	3.1
135.11703	2.2
137.05978	7.3
139.06506	2.7
139.07538	38.1
139.08617	2.0
139.11162	2.0
141.01825	6.0
142.07767	3.2
143.08531	8.0
145.05023	1.8
145.10120	13.8
147.04408	1.6
147.08034	4.1
147.11702	29.7
149.13257	3.3
151.07556	2.2
153.09137	1.5
156.09344	3.7
157.06509	1.3
157.10133	13.9
159.02951	2.3
159.11699	6.1
161.05969	1.8
161.09583	4.2
161.13225	10.0
163.03934	2.2
163.07504	1.8
163.11160	1.6
163.14793	3.2
167.10663	1.5
168.92206	1.4
171.10242	2.3
171.11674	16.0
173.09555	2.7
173.13261	6.6
175.07555	1.8
175.11185	17.9
175.14862	2.7
181.10141	2.1
185.13187	1.5
189.12749	32.7
191.14326	3.4
193.12221	3.6
195.10175	8.6
199.11237	9.7
199.14772	1.8
201.16373	5.2
202.16608	3.5
203.17992	10.6
207.13780	15.7
217.12242	45.7
219.17445	1.9
234.98987	2.6
235.13335	21.4
237.18559	2.7
253.14403	10.9
291.15982	9.0
309.16983	100.0
311.12750	2.3
322.31790	1.9
341.10165	1.8
371.11444	3.4
411.32550	3.0
439.31915	4.5
457.32669	3.7
485.19980	7.8
503.16672	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01863	1.0
55.02212	0.4
55.05487	0.8
56.63898	0.4
56.96550	0.6
57.03436	1.0
61.02920	1.4
68.99904	0.5
69.03412	1.6
69.07073	0.5
69.74659	1.6
69.75070	1.5
70.06581	1.0
70.29375	0.4
73.02922	0.8
74.15627	0.5
79.05491	1.6
81.03420	1.0
81.07040	2.0
84.04520	2.7
84.08138	0.6
85.02905	6.8
86.09693	6.8
87.00800	0.5
89.03916	0.7
91.05460	3.9
93.07035	0.9
94.04165	3.4
95.04977	1.0
97.02873	1.8
98.20750	0.9
98.97586	1.3
99.04484	0.5
102.05543	1.2
103.05468	1.4
105.07027	6.1
107.04932	1.0
107.08614	1.1
109.02879	1.1
109.06505	1.9
109.07162	0.5
115.05461	2.9
116.98640	0.9
117.07037	1.1
118.04103	0.6
119.04948	1.4
119.08556	2.0
121.06544	0.6
122.03634	5.4
125.64642	0.5
127.03878	1.5
128.06224	1.1
129.07007	1.6
130.04973	1.7
131.04922	2.1
131.08585	0.6
132.05714	2.4
133.06491	4.5
135.04437	1.2
137.05974	100.0
138.06293	0.6
141.06973	0.8
144.05688	0.8
145.02789	0.7
145.04915	1.0
145.06483	1.3
146.03612	1.0
146.99721	0.6
147.04416	1.8
147.08055	3.2
149.05978	1.5
151.03899	0.6
155.04967	0.6
159.08035	2.9
160.05194	2.2
161.05984	14.1
163.03926	3.5
163.07521	1.4
167.07077	0.7
172.05203	1.5
175.07544	26.6
177.05513	0.5
177.06963	0.7
179.07054	1.6
184.05156	1.0
185.06146	0.6
187.07539	9.4
189.09212	0.9
190.07811	1.9
191.08528	7.3
192.09366	0.6
199.07541	7.9
202.07753	2.5
203.08560	5.7
203.71239	0.5
205.06555	0.7
207.08014	0.7
208.08958	0.7
215.13896	1.1
218.07274	2.1
219.08047	11.4
220.08813	2.3
229.11955	0.6
231.08006	6.5
232.08844	1.5
232.52402	0.6
233.09691	0.6
235.07527	1.4
235.11214	0.5
236.08319	1.8
237.02872	1.5
237.09071	1.2
237.14507	0.9
237.18567	0.7
238.15909	0.6
243.13553	1.0
246.14972	3.8
246.65105	2.0
247.07602	4.7
248.08313	3.4
249.00627	0.6
249.09047	1.3
251.10680	12.5
258.06985	0.6
259.07416	2.8
260.08411	2.1
261.09015	1.1
261.14417	0.7
262.10132	0.5
263.10739	2.5
264.07797	1.2
265.08658	1.2
275.07382	0.5
275.15833	0.8
276.07779	1.6
277.08609	1.8
279.10168	10.5
280.10889	1.6
281.08105	1.0
291.10129	8.9
292.10876	1.5
295.13239	0.9
296.10431	1.3
303.05032	0.9
308.10364	1.1
311.12775	31.4
312.13208	0.6
323.12756	13.6
340.99698	0.6
341.13934	1.0
342.06018	0.6
371.13828	0.9
377.01828	3.9
378.01993	0.6
389.14902	0.7
395.02814	2.6
402.42712	0.7
438.48593	0.5
503.06201	5.5
503.18814	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	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01858	2.5
57.03419	2.4
60.00247	1.7
61.02916	2.5
67.05492	5.0
69.03413	9.0
69.07059	4.7
70.06590	3.4
71.04987	4.1
71.59275	2.7
74.92522	1.6
77.52927	1.7
78.23524	1.5
79.05492	5.4
81.03423	4.1
81.07056	16.8
83.08600	2.2
84.08138	2.9
85.02915	17.0
85.07667	3.6
86.09702	3.7
91.05479	8.4
93.07038	5.9
94.04186	3.4
95.04985	3.7
95.08585	6.8
97.02866	10.0
103.05463	5.4
105.07028	5.9
107.08578	4.8
109.02873	4.4
109.06546	4.0
109.10127	3.2
111.04451	2.1
113.55975	2.1
115.05441	3.1
117.03352	2.2
117.07010	2.8
119.04913	3.1
119.08551	4.2
120.05232	2.0
122.03669	6.5
123.04385	2.3
127.03911	6.5
128.06238	3.0
128.07089	3.0
131.04932	8.9
132.05693	2.4
135.04408	5.8
135.11668	4.4
137.05968	100.0
137.13263	2.7
141.07014	2.1
144.14174	1.7
145.04898	3.4
145.06509	2.2
145.10078	2.3
146.03447	1.8
147.04387	14.6
147.08067	4.0
147.11676	3.0
148.04755	6.9
149.04951	2.5
153.12735	8.0
159.08049	2.6
160.05223	3.1
161.05998	12.9
163.03917	16.8
163.07529	12.4
164.04231	5.2
165.04388	3.4
175.07547	41.8
177.09058	2.5
187.07555	6.1
191.08594	3.8
199.07480	13.4
201.16397	2.6
202.07875	2.2
203.08568	7.3
218.07184	2.2
219.08034	6.4
231.08063	9.3
232.08870	3.0
237.18408	2.4
247.07649	3.6
248.08234	4.9
251.10606	12.6
259.07538	5.6
260.08408	2.1
263.10593	4.0
265.08768	2.5
277.08713	4.5
279.10144	3.3
291.10010	11.8
311.12772	23.6
323.12775	17.6
325.14081	2.4
351.08575	2.1
453.32135	2.0
503.19827	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	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01860	1.2
57.03431	2.0
61.02906	2.3
62.63095	0.6
67.05505	1.1
67.16529	0.6
69.03434	8.7
69.07068	0.8
69.70612	0.7
71.00397	1.6
71.04996	1.2
73.02917	1.5
79.05490	2.8
81.03411	3.0
81.07063	4.7
83.01305	0.7
85.02908	20.2
87.04507	0.6
91.03925	1.3
91.05476	3.8
93.07047	2.9
94.04179	3.0
95.04977	1.2
95.08618	2.3
97.02887	6.8
99.04445	0.8
103.05456	3.4
105.07063	5.0
107.04998	1.7
107.08604	2.1
109.02882	1.2
109.06521	2.9
109.10172	1.2
115.05468	2.9
117.07060	1.7
118.04212	0.6
119.08578	2.6
121.10139	1.2
122.03664	5.7
123.11737	1.0
127.03914	4.7
128.06212	1.9
129.07011	2.2
131.04933	5.0
132.05710	2.2
133.06496	2.1
133.10103	1.7
137.05980	100.0
138.06349	0.8
141.06932	0.9
143.04987	0.8
145.04958	2.1
145.06540	0.8
146.03583	0.8
147.04407	1.5
147.08052	3.5
147.11710	1.2
149.05997	1.5
151.07478	0.9
153.12683	2.0
159.08072	2.5
160.05196	2.6
161.05956	10.9
163.07547	9.8
165.12817	0.8
167.07101	1.0
168.05789	0.8
171.08040	1.1
175.07555	43.3
179.06992	0.9
184.05171	1.4
187.07562	5.3
189.09123	1.2
190.07802	1.9
191.08595	4.7
199.07539	14.4
201.09064	1.9
202.07835	3.0
203.08577	8.0
217.08673	1.0
218.07263	1.3
219.08089	7.5
220.08846	2.0
231.08076	9.6
232.08916	1.0
233.09465	0.8
235.07550	1.1
236.08311	1.2
244.24115	0.8
247.07564	4.0
248.08308	4.6
249.09012	1.5
251.10670	10.7
259.07501	6.6
260.08362	1.9
261.09131	1.0
263.10632	5.8
264.07858	0.7
276.07825	3.2
277.08624	3.2
279.10199	9.9
280.10764	1.1
283.13400	0.9
291.10175	11.9
292.10934	3.5
293.07968	2.1
295.13416	2.2
308.10446	1.7
311.09161	1.4
311.12799	24.8
323.09622	0.9
323.12775	27.2
325.14456	1.9
503.20871	1.3
503.32562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
56.96556	1.0
57.40595	0.6
57.83079	0.7
61.02922	1.2
62.17887	0.7
65.03924	0.7
67.05511	0.9
69.03419	2.5
69.07059	1.8
70.06561	1.8
71.04988	0.8
71.59192	1.0
73.02886	0.7
79.05479	1.9
81.03411	1.2
81.07057	2.4
84.04503	1.4
84.08150	1.0
85.02911	6.4
85.07621	0.7
86.09708	11.6
91.05432	3.9
93.07047	1.5
94.04189	1.9
95.04939	1.2
95.08599	1.3
97.02892	2.7
102.05534	1.2
103.05453	1.3
104.06226	0.9
105.06355	1.0
105.07028	6.7
107.04939	1.9
107.08602	1.0
109.02853	1.6
109.06489	1.1
109.10161	1.0
115.05453	2.8
117.07001	1.5
119.04941	0.9
119.08569	1.5
121.06581	0.9
121.10105	0.7
122.03655	5.6
127.03906	2.1
128.06213	1.3
129.07042	1.3
131.04935	1.8
132.05727	2.0
133.06512	3.8
133.10106	1.1
135.04401	1.0
137.05980	100.0
144.06593	0.8
145.01564	0.8
145.05028	0.8
145.06456	0.9
146.03658	0.8
147.04416	2.2
147.08064	3.4
149.05962	1.1
159.08069	2.2
160.05188	1.1
161.05998	13.5
162.07677	0.9
163.03940	1.8
163.07542	1.5
165.07002	1.2
167.07047	0.9
171.07999	1.0
172.05127	1.1
175.07556	28.4
179.07050	1.2
184.05241	1.1
185.05968	0.8
187.07532	9.7
189.09094	0.8
190.07782	2.3
191.08589	5.7
199.07567	7.0
201.12329	2.5
202.07835	1.8
203.08630	4.6
205.06592	0.8
207.08102	0.7
208.08789	1.0
215.13850	1.1
217.08524	0.8
218.07283	2.1
219.08044	9.4
219.17470	0.7
220.08759	1.9
225.08940	0.9
229.11824	1.8
231.08148	4.3
232.08813	1.2
236.08307	1.3
237.14331	2.1
237.18449	1.4
237.64606	1.5
242.92468	0.7
243.13417	2.0
246.14880	5.7
246.65062	7.3
247.07622	4.1
247.15205	2.3
248.08369	3.1
251.10677	12.6
259.02377	0.7
259.07526	2.3
260.08304	1.6
261.09143	1.3
261.14612	1.0
263.10687	3.4
264.07959	1.5
265.08673	1.0
275.16183	2.0
276.07990	2.0
277.08640	2.8
279.10190	12.2
280.10971	1.0
291.10165	8.0
292.10938	2.0
308.10669	0.9
311.12778	29.5
323.12778	15.0
342.06204	1.4
377.01797	4.2
395.02863	2.2
412.06647	0.7
503.05804	5.2
503.19308	7.0
504.06161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1636
Annotation	Kopsimaline D
Peak:m/z	Relative Intensity
63.44389	0.3
71.05703	0.5
71.06037	0.6
74.50061	0.4
84.48193	0.3
85.02917	0.6
94.80821	0.4
97.02918	0.4
98.20698	0.3
104.54937	0.4
156.04240	1.5
163.57841	0.3
207.87376	0.4
246.27902	0.4
503.16403	100.0
504.16296	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27967	1.5
53.03931	4.1
55.05511	8.0
57.03430	3.1
65.03944	15.9
67.05508	20.7
68.99781	2.6
69.03433	46.3
69.07072	1.7
70.75063	5.0
72.43422	1.5
74.39581	1.5
79.05479	2.6
81.03410	2.0
81.07045	8.9
83.04984	71.2
84.05325	1.5
85.02911	24.6
86.09694	6.7
87.00840	3.4
87.04465	4.2
91.05479	38.7
93.03414	22.6
93.07040	4.4
95.04360	3.0
95.04970	60.6
97.02892	10.1
97.06438	1.8
99.00814	10.2
101.06014	2.4
105.07009	3.1
107.04960	12.2
107.08614	2.1
109.06516	14.6
111.04448	100.0
115.03918	6.5
117.01841	3.0
119.04946	57.3
119.08597	1.8
120.05742	3.0
121.02875	17.1
121.10158	1.5
123.08060	1.8
123.35212	1.6
127.03907	2.0
129.05481	85.6
131.05014	1.8
131.08635	1.8
132.35815	1.8
133.04965	2.1
133.10165	2.5
135.08009	3.0
135.11664	1.7
137.05989	6.5
139.03906	58.7
145.02864	2.5
145.04903	1.6
145.06467	1.9
147.04434	58.6
147.06509	58.0
147.07671	1.7
152.06175	2.7
157.04971	74.0
161.35429	1.4
165.07248	1.9
167.05544	2.5
167.08559	3.2
167.14323	1.9
172.83424	1.5
173.13260	2.2
175.06036	28.3
177.05510	3.6
177.06989	2.7
183.08110	1.5
191.14296	6.4
193.05304	2.8
193.07088	57.9
194.07442	1.9
195.08119	3.5
209.15399	5.2
213.09116	34.3
223.07486	2.5
225.09125	2.7
227.05412	2.9
234.09763	1.7
237.09108	6.2
247.07338	1.5
255.10229	2.0
261.70834	1.8
265.08752	2.8
269.08038	2.1
273.06061	15.3
283.09793	3.4
293.08087	3.5
311.09204	7.7
311.12363	1.9
328.70300	1.6
503.21097	13.8
520.22955	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.05499	2.9
55.91665	1.4
61.89709	1.5
65.03947	9.0
65.33235	1.5
67.05506	12.5
69.03426	17.9
69.66013	9.3
69.66419	3.7
82.15395	1.6
83.04984	38.6
85.02901	14.3
86.09694	8.1
87.04471	1.9
87.73767	1.5
91.05480	73.7
93.03405	16.9
95.04958	20.1
95.08632	1.6
97.02869	4.0
98.20750	3.0
99.00818	21.5
103.05464	10.3
105.07016	3.6
107.04961	33.5
111.04443	63.1
117.01853	6.1
119.04942	95.5
120.05712	5.7
121.02851	10.9
126.66619	1.7
127.03884	1.6
129.05481	34.6
131.04929	20.2
137.05962	16.1
139.03888	38.6
145.06445	2.2
147.04419	4.6
147.06526	17.6
152.06201	3.4
157.04967	45.7
157.06250	2.0
161.05959	4.6
163.07542	22.6
165.07048	3.8
167.08571	7.1
175.06023	20.2
175.07545	4.3
177.06967	5.3
181.06447	2.2
183.07993	2.2
185.09567	2.9
187.07411	2.1
191.08569	2.6
191.66690	1.6
193.07086	9.8
195.07986	9.2
198.06656	1.7
209.06010	3.2
209.09583	2.9
212.08333	3.4
213.09099	100.0
214.09445	2.7
219.08032	3.6
223.07603	1.6
225.09169	2.6
227.05492	2.7
237.09163	10.2
243.13306	2.4
245.06604	2.7
247.07677	2.8
255.10179	1.6
265.08627	5.0
273.06027	33.7
283.09662	5.2
293.08069	6.0
311.09100	11.6
311.12518	3.2
323.12790	2.3
485.14563	2.2
503.20840	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	503.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56539	1.2
55.05508	6.6
56.96582	1.7
57.03435	2.0
58.49913	1.1
63.33196	1.3
65.03933	9.8
67.05507	15.2
68.79258	1.2
68.99772	2.0
69.03143	0.8
69.03428	34.5
69.71103	6.5
70.06590	4.1
72.08157	5.8
83.04982	63.0
84.04499	5.5
84.08136	1.5
85.02908	15.7
86.09702	20.5
87.00815	3.7
91.05478	26.4
93.03406	24.4
95.04968	63.5
95.37465	1.3
97.02906	5.9
99.00818	6.6
101.06023	2.5
102.05554	5.5
105.04513	1.3
107.04965	8.3
111.04443	100.0
115.03937	2.6
117.01823	1.8
119.04942	35.9
120.05735	3.4
121.02879	14.9
129.05482	85.8
129.10268	1.3
137.05980	1.9
139.03905	56.5
145.06471	1.5
147.04451	7.1
147.06523	60.1
147.07700	3.0
152.06232	1.8
157.04965	70.3
162.07570	2.2
167.08601	2.0
168.12419	1.3
174.44429	1.2
175.06053	26.6
177.05487	1.5
177.06961	2.2
193.07076	73.0
195.08002	3.1
212.08351	2.4
213.09088	27.0
215.13979	3.6
232.97003	1.1
237.09094	1.3
243.13503	4.4
247.07623	2.4
261.14487	7.2
273.06116	9.2
289.43622	1.5
339.02792	2.9
402.04385	3.1
404.65549	1.3
411.04834	3.2
503.20956	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	503.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10587	1.0
55.05501	1.6
60.58574	1.1
61.02896	1.4
67.05492	1.6
69.03436	1.6
69.07065	2.9
70.06582	5.4
70.90849	3.7
72.08144	4.0
81.03423	1.6
84.04504	4.7
84.08140	4.0
85.02913	4.1
86.09706	33.5
86.10233	1.9
93.07053	1.2
97.02889	8.0
98.97537	1.3
102.05537	4.6
103.05475	1.1
105.07042	1.6
119.08576	2.0
127.03847	1.5
128.07091	2.2
130.05029	1.3
131.08629	1.4
133.10156	1.7
137.05969	13.2
141.04834	2.0
145.05013	1.2
145.06300	1.3
147.04413	2.5
148.06021	1.7
161.05969	2.5
163.03937	5.2
175.07599	4.0
187.07591	1.4
191.08606	1.3
199.07611	2.4
215.13956	4.4
219.08009	1.3
219.17499	1.3
231.07855	1.7
237.09216	1.9
243.13354	6.3
251.10664	1.7
261.14410	6.2
265.08801	1.6
288.58945	1.3
295.12457	1.2
299.05969	2.5
300.43878	1.2
303.05072	3.6
311.09409	1.4
311.12854	4.7
323.12717	1.9
377.01816	25.5
395.02820	11.9
400.03320	3.5
502.29623	2.2
503.05884	100.0
503.19693	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	503.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01855	0.4
55.05499	0.5
57.03435	0.7
57.56705	0.4
65.03935	1.1
67.01862	0.8
67.05493	0.9
69.03419	3.2
69.90409	0.7
69.90829	1.7
71.04990	1.0
79.05483	0.9
81.03418	4.3
81.07053	1.8
85.02902	3.6
85.06539	3.3
87.00824	1.1
91.05478	19.5
93.07031	1.8
95.04959	0.8
95.08583	2.1
97.02890	5.8
97.47737	0.3
99.04452	1.4
105.01865	0.9
105.07021	2.0
106.07355	0.4
107.04868	0.4
107.08564	2.1
109.02879	6.3
109.06504	0.5
109.10149	1.3
111.04356	0.4
115.05459	0.6
117.06993	0.7
117.49682	0.4
119.04940	21.9
119.08587	1.9
121.02838	1.4
121.06480	1.4
121.10142	1.4
127.03910	6.7
131.04938	0.7
131.08540	0.8
133.10101	1.0
135.11708	0.5
137.05957	4.2
143.04929	0.6
143.08568	0.4
145.04906	1.0
145.10126	1.5
146.10481	0.5
147.04402	100.0
147.11703	0.7
148.04720	1.5
157.10114	0.6
159.11685	1.1
161.05940	0.6
161.09700	0.5
161.13269	1.2
162.13605	0.7
163.03941	0.6
163.07553	0.5
165.05481	5.4
168.48602	0.4
173.13277	0.9
175.07559	0.4
175.14838	0.6
177.05467	0.7
187.07584	0.4
189.16391	0.6
199.07619	0.4
201.16428	0.7
202.16710	1.3
203.14275	0.7
203.17950	1.3
209.09608	0.7
217.08495	0.5
217.15894	0.4
219.17529	0.9
220.17722	1.0
237.18552	0.5
255.06618	0.4
255.19496	0.4
291.08606	2.6
295.19116	1.0
341.09735	0.4
377.08853	0.6
395.09714	13.7
439.31326	0.4
457.33307	0.7
503.33136	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	502.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05512	3.5
56.05035	4.3
56.12515	0.3
57.03428	1.4
57.07069	0.4
58.06583	0.3
60.01350	0.3
60.08161	0.3
65.03944	2.2
67.05503	10.5
69.06786	0.2
69.07070	3.0
70.06580	0.3
71.04980	0.3
71.07372	18.7
71.57758	0.3
79.05500	2.8
81.06578	0.6
81.07056	10.5
83.04981	1.6
83.08614	1.0
85.06547	0.3
86.09702	75.0
87.10026	0.5
90.99466	0.5
91.05452	1.4
93.07035	3.4
95.04943	0.3
95.08599	7.0
97.06545	0.4
97.10191	0.5
98.98466	7.8
104.10738	1.2
105.07022	1.2
106.61820	0.3
106.82415	0.3
107.08585	1.1
109.10162	2.4
116.99540	0.3
119.08607	0.8
121.10174	0.7
123.11703	0.9
125.00001	21.3
133.10136	0.9
135.11685	0.6
136.99992	2.9
143.01045	0.5
151.01581	0.5
161.13326	0.3
163.01552	18.5
163.14775	0.4
166.02686	0.3
175.14804	0.4
181.02606	2.4
181.04051	0.4
184.07346	7.1
215.45961	0.3
254.10681	0.3
268.86734	0.3
345.79056	0.3
361.27118	0.6
443.25610	5.0
502.32895	100.0
503.33505	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	502.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06266	0.4
54.46508	0.5
55.05501	1.6
55.93519	1.1
56.96564	0.7
57.07062	0.7
59.20733	0.4
67.05505	3.9
69.03416	0.8
69.07068	4.1
70.95869	0.7
71.04975	0.6
71.16940	0.8
72.93777	1.1
76.39617	0.4
79.05491	2.0
81.07073	4.3
83.04980	0.5
83.08619	0.9
85.06526	0.7
90.94814	0.5
91.05485	2.7
93.07051	3.5
95.08622	8.9
96.57821	0.4
97.06547	0.5
103.05457	0.5
105.07046	5.0
107.08607	4.9
109.06525	1.0
109.10169	8.1
110.10465	0.4
111.04453	1.1
111.08096	0.6
117.07022	1.0
119.07790	0.8
119.08588	9.6
119.73724	0.4
121.06509	1.2
121.10161	4.2
123.08060	1.2
123.11716	1.3
129.07019	0.7
131.08601	2.2
133.06532	0.7
133.10143	4.5
135.08060	1.2
135.11728	1.7
137.09601	1.9
137.13295	0.6
141.07008	0.5
143.08546	1.7
145.06413	0.4
145.10106	3.0
146.97096	0.4
147.08084	1.5
147.11700	2.1
149.09630	0.7
154.99246	0.4
155.08540	0.9
157.10184	2.3
159.08040	0.8
159.11705	3.0
161.09625	1.3
161.13260	1.4
169.10141	1.5
171.11708	1.5
173.09686	1.4
173.13258	1.3
175.11198	0.6
175.14801	1.0
177.12759	0.5
179.08655	0.5
180.99464	1.0
181.10283	0.5
183.11650	1.0
184.99011	0.7
185.13243	1.1
187.11194	1.4
187.14818	1.3
189.16490	1.2
192.99397	0.5
193.03056	0.7
195.01007	0.5
197.13245	0.7
199.14711	0.6
201.12856	1.0
201.16402	0.7
207.01045	0.5
209.13268	0.5
211.14836	0.7
213.12624	0.6
215.14372	0.5
227.05110	0.5
231.04695	1.0
231.08426	0.6
241.06790	0.6
247.04097	0.5
253.15979	0.6
253.19547	0.9
263.07541	0.6
267.08292	1.3
269.09900	2.7
277.05267	0.7
279.08429	0.7
281.09952	0.7
281.19016	1.8
295.11588	0.8
299.20035	1.1
300.65039	0.5
325.08987	0.6
329.67557	0.9
330.17581	1.0
331.26071	0.5
336.18472	1.0
336.68613	0.9
343.13559	1.1
343.17252	0.9
343.67288	22.4
344.17145	100.0
344.67267	27.2
345.16891	2.2
350.68649	0.6
356.69943	1.5
360.14911	1.0
361.14639	4.1
364.18661	7.2
364.68478	30.3
365.18625	8.9
365.68494	0.8
371.13116	0.8
373.14725	1.5
374.15176	0.6
385.19769	1.4
385.69736	0.5
388.14554	1.7
389.14142	7.6
390.14523	0.8
393.61777	0.5
402.17313	0.5
407.14636	0.6
430.16669	1.0
501.77563	1.0
502.27335	4.4
502.77350	1.5
525.60187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
53.79926	1.6
55.01876	2.6
55.05494	4.0
67.05480	5.6
69.03413	7.1
69.07042	2.5
69.47472	14.2
70.06582	2.5
71.04971	4.1
73.02903	2.1
76.79012	1.5
79.05491	6.4
81.03393	5.8
81.07038	9.9
83.08611	2.8
84.08147	2.2
85.02905	19.7
86.09722	2.2
87.00831	3.4
91.05465	10.7
92.81741	1.5
93.07032	9.0
95.06125	2.2
95.08601	14.1
97.02885	11.0
100.11217	5.1
105.01862	7.4
105.07026	20.1
106.15443	1.6
107.08604	11.3
109.02877	4.3
109.10148	7.0
117.07024	9.6
119.08576	14.5
121.10154	5.6
127.03905	12.0
129.01915	1.7
131.08572	17.1
133.10121	7.8
135.11673	3.9
141.41055	1.9
144.09293	4.0
145.04910	3.9
145.10132	32.7
147.04445	2.6
147.11676	6.1
157.10214	4.3
159.02905	3.4
159.11685	76.3
161.13205	14.5
163.03911	2.2
173.13258	6.0
182.15356	2.5
189.16548	2.1
201.16373	100.0
203.17941	4.1
210.14902	5.2
219.17424	47.2
235.52303	1.7
250.04712	1.8
287.05240	2.4
502.23166	2.2
502.30646	5.9
527.66864	2.0
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
53.03943	8.3
55.01861	7.8
55.05520	5.0
57.03432	5.8
57.07064	2.3
57.21930	1.7
61.02928	8.0
67.05505	25.6
68.99787	2.6
69.03431	32.1
69.07067	9.4
70.28101	7.9
70.28449	3.6
71.04972	4.8
73.02915	7.6
79.05504	15.8
81.03416	28.5
81.07063	35.6
83.04988	4.6
83.08636	4.5
85.02907	100.0
87.00838	44.1
87.04501	2.2
91.05481	21.6
93.07053	36.9
95.04964	6.6
95.08617	27.6
97.02901	55.7
97.10187	2.7
99.04465	13.2
105.01872	92.4
105.07031	50.1
106.07372	2.2
107.08611	30.6
109.02887	25.4
109.10159	70.3
111.08083	6.7
117.01851	2.4
117.07012	25.5
119.08588	30.8
121.06496	3.8
121.10146	20.0
123.04435	2.7
123.11724	11.6
125.05981	3.1
127.03921	85.8
129.01848	3.5
129.06956	1.9
130.07779	4.6
131.08569	42.6
133.10149	17.3
135.11688	14.3
143.08572	4.4
144.09276	2.1
145.04962	51.8
145.09036	3.6
145.10136	59.5
147.11667	7.4
149.13257	4.5
157.10092	4.5
159.02919	17.1
159.11699	51.3
161.13274	8.4
163.11133	3.8
171.11667	2.6
173.13290	16.6
175.14824	10.5
185.02469	2.3
185.13239	3.1
187.14821	10.7
189.03954	5.0
189.16440	3.5
191.17986	5.7
199.14844	4.1
201.16382	89.8
203.18018	7.6
213.04024	3.1
213.16508	3.3
219.17444	58.6
231.05029	34.7
245.06776	2.6
249.06059	23.5
284.09674	12.0
291.17346	2.2
309.18503	3.4
318.99673	2.8
431.20694	5.8
437.21567	7.0
449.21686	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	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01873	3.8
55.05511	4.9
57.03412	3.0
59.04990	6.1
65.46026	2.4
67.05486	12.1
67.05814	3.7
69.03442	14.5
69.07065	7.5
69.28632	24.7
69.29041	4.4
70.06596	9.7
71.04987	4.6
79.05488	18.6
81.03403	17.2
81.06633	3.8
81.07056	36.9
83.08583	4.4
84.08131	6.7
85.02898	44.1
85.06547	6.5
86.09695	9.4
87.00825	11.2
91.05475	28.6
93.07051	26.5
95.04945	5.1
95.08607	29.1
97.02886	22.5
99.04436	6.8
105.01871	23.8
105.07033	68.3
107.08592	31.0
109.02891	13.7
109.10158	27.3
117.07014	15.8
119.04957	4.8
119.08569	45.7
121.10120	18.2
123.08030	3.2
123.11694	4.5
127.03908	37.6
130.07706	3.8
131.08560	24.1
133.10143	18.8
135.11678	4.4
137.05968	8.4
137.09523	2.6
143.08530	4.8
144.09309	3.0
145.02864	2.5
145.04961	22.1
145.08449	3.2
145.10120	76.4
147.04437	13.7
147.11682	4.5
157.10176	4.3
159.02855	7.4
159.11693	40.2
161.06017	3.2
161.13254	43.3
163.03889	6.6
164.04192	4.4
173.13274	14.1
175.14807	4.9
177.05440	3.1
189.16452	3.0
201.16377	100.0
219.17451	27.4
231.05011	16.1
249.05933	5.3
255.86441	2.6
267.51218	3.1
502.23691	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	502.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67201	0.6
56.96552	1.1
57.03428	2.5
59.04990	0.7
61.02916	1.0
69.03429	8.2
69.52774	5.3
73.02885	0.8
85.02523	0.3
85.02902	16.4
86.09705	100.0
87.04474	6.4
91.03986	0.6
97.02895	9.6
98.21466	1.2
98.97585	1.1
99.04478	1.2
102.75764	0.5
109.02869	0.6
112.96644	0.6
115.03933	16.4
116.98680	0.8
119.04976	0.9
127.03927	5.6
132.10204	72.0
133.04964	17.5
137.04584	6.6
145.04948	10.9
148.03825	0.7
149.93643	0.6
151.85841	0.7
152.05698	1.1
153.21040	0.8
163.06021	7.0
171.05061	0.7
205.05499	0.8
209.10262	2.4
237.02913	0.7
239.11243	9.8
259.08200	1.3
265.08673	0.9
279.09351	1.4
295.10190	1.2
307.97040	0.6
362.11755	0.7
393.12491	2.0
394.13098	1.0
423.29022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45289	0.4
52.09241	0.5
53.03939	1.1
55.01865	0.7
55.05516	6.7
61.02904	0.4
67.05496	1.9
68.42715	0.4
69.03425	2.4
69.07063	1.7
70.87451	0.6
70.87806	0.8
71.04986	0.6
79.05497	1.6
81.03426	2.0
81.07070	2.9
83.04985	13.4
84.04498	1.1
85.02917	4.8
87.00816	1.5
89.03911	0.4
91.05465	2.8
93.07018	2.0
95.08609	3.8
96.08987	0.6
97.02893	100.0
98.03211	0.8
99.04447	0.9
101.74413	0.5
105.01875	2.4
105.07036	4.8
107.08617	2.8
109.02886	2.8
109.10165	1.6
111.08057	0.5
117.07020	1.9
119.08588	3.2
121.10102	1.9
123.11753	0.6
125.67286	0.4
127.03917	4.3
130.06564	0.7
130.07751	0.6
131.08577	2.3
133.10141	2.1
135.07953	0.4
135.11719	1.4
145.04968	1.6
145.10127	8.3
146.10513	0.5
147.04439	0.5
147.11700	1.9
151.07541	1.6
157.10149	0.8
159.02945	1.2
159.11702	5.2
161.13234	2.5
162.13536	0.5
163.03938	0.7
163.11189	0.8
173.13286	1.4
175.14830	0.5
176.58730	0.5
177.05476	0.7
177.16510	1.0
179.07047	3.8
187.14893	0.8
189.16481	0.9
197.08107	5.8
201.16400	13.0
215.09142	11.0
219.17444	9.3
231.05016	0.8
237.18549	1.3
308.53589	0.4
352.12372	0.4
456.32037	0.6
502.31079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04095	3.3
53.03935	5.5
55.01881	5.6
56.11029	2.6
57.03419	12.4
58.06600	5.1
60.08162	29.0
61.02918	3.3
69.03428	21.6
70.05247	13.4
70.06586	8.6
71.04981	4.3
72.08144	13.2
73.02896	5.7
79.05480	4.7
81.03419	17.4
81.07047	6.4
83.04987	3.8
83.34264	2.7
84.04482	5.0
84.08152	7.6
85.02906	100.0
86.03237	3.3
86.09698	5.8
90.05575	3.3
91.05473	12.4
92.72495	3.0
93.07024	7.2
95.04980	7.6
97.02894	43.4
98.03225	6.3
98.07251	3.3
98.21436	4.3
99.04456	5.0
102.09187	17.1
105.07024	21.7
107.04967	4.7
109.02872	14.0
111.04430	5.2
115.03912	6.0
116.07025	2.9
119.04932	7.7
121.02872	14.1
121.06498	11.5
121.10133	6.5
122.10548	3.8
123.04423	4.5
123.11697	13.0
124.12070	6.5
127.03899	20.8
129.05469	6.0
131.08569	6.9
133.06494	22.5
136.07530	3.8
137.05951	4.9
139.03825	3.2
144.10243	3.2
145.04977	18.0
147.04445	17.7
149.05971	11.4
149.09612	8.7
153.05487	10.7
157.05025	5.2
161.05983	35.9
163.03839	6.4
165.09163	3.1
166.06352	3.2
167.07057	39.6
177.05418	5.6
181.08595	18.4
189.12805	4.6
193.06874	3.7
193.08609	57.1
195.10175	3.8
207.13857	4.4
208.14188	4.5
211.09677	54.2
213.09094	3.5
225.83720	3.0
229.07115	6.3
236.12898	3.7
237.11224	6.4
254.13867	13.6
274.10156	3.4
282.15369	3.4
292.22382	3.3
322.17252	4.2
328.14142	3.9
458.20285	34.7
502.18759	43.3
502.25650	3.3
503.20602	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56870	2.1
53.03940	2.6
55.01872	4.8
55.05259	3.3
55.05511	48.6
56.09507	1.9
57.03437	32.2
57.07077	46.1
59.04994	2.4
62.69119	1.8
65.03928	3.1
67.05503	63.7
69.03413	2.3
69.07067	76.3
69.62156	16.1
71.04981	6.4
71.05985	1.8
71.08635	36.8
75.04476	11.6
79.05489	24.1
81.07053	94.2
83.04980	5.7
83.08134	4.4
83.08617	65.8
85.06535	3.5
85.10178	18.5
86.09705	3.5
91.05468	5.8
93.07047	33.9
95.08608	86.7
97.06536	18.5
97.10168	43.8
99.08086	3.7
99.11788	2.4
101.05990	2.6
105.07052	5.8
107.08582	28.4
109.10158	39.2
109.27940	1.9
111.08086	9.2
111.11723	14.8
113.05997	4.4
115.07644	3.4
119.08571	5.1
121.10142	33.5
123.11727	16.1
125.09631	10.0
129.09123	2.8
131.07047	8.1
131.08582	2.5
133.10135	3.4
135.11678	27.6
137.13246	7.9
139.11205	8.6
143.10669	4.5
147.11572	2.7
149.13255	17.4
151.14809	2.5
153.12711	10.2
159.11719	2.4
163.14810	9.8
167.14310	5.5
177.16415	5.1
181.15939	3.5
187.14732	2.4
195.17528	2.9
199.16994	3.9
223.20662	2.4
227.20105	3.8
241.21631	2.8
289.28964	7.3
293.42783	2.5
307.29858	16.1
317.28317	11.3
325.31079	2.7
335.29401	32.9
353.30762	3.4
371.31564	100.0
372.31985	2.8
409.33090	52.6
427.34183	85.0
432.55688	2.2
483.36807	38.0
501.37885	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3216
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
51.70583	2.3
54.34763	2.4
55.05521	3.0
57.07078	45.2
64.24390	2.4
67.05499	8.7
69.07071	8.1
70.73822	3.9
70.74202	5.1
72.57243	2.6
79.05492	8.5
81.03428	2.9
81.07052	15.2
83.08624	4.4
85.06548	57.8
91.05489	9.5
93.07037	11.0
95.04986	2.8
95.08617	21.7
96.40726	2.4
103.05483	3.8
105.07030	10.2
107.04915	3.1
107.08617	12.9
109.06501	4.2
109.10143	7.4
115.05468	4.3
117.06974	5.2
119.05042	2.8
119.08588	8.3
119.55447	2.5
121.10131	6.6
122.03675	4.5
123.11730	7.9
125.09617	4.9
127.12434	2.2
129.07010	6.5
131.04953	7.6
131.08566	5.2
133.10158	4.3
135.11729	2.7
137.05991	100.0
137.13280	2.6
143.04936	3.6
143.08540	3.6
145.06497	5.6
147.04417	12.8
147.11694	3.6
149.13315	2.8
151.07547	6.6
157.06506	6.9
159.11806	3.6
160.05199	8.0
163.07568	5.1
163.14816	3.6
167.06950	2.4
173.13104	4.1
175.07545	27.7
179.07053	7.3
183.08017	3.7
187.07581	13.1
189.09131	9.9
199.07616	4.1
201.09161	5.6
203.10724	3.2
205.76486	2.3
213.09177	6.6
215.10658	5.9
217.08611	15.1
227.10786	3.5
229.08667	3.8
231.10149	14.1
235.09482	2.8
239.10745	3.9
241.12267	3.7
251.12921	7.9
251.25366	2.5
255.13687	4.8
257.15369	2.4
275.20053	7.1
299.16422	11.7
333.16901	2.5
381.24176	5.3
387.85214	2.4
399.25354	3.3
501.37411	9.4
501.47214	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	501.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.9
55.01864	4.0
55.05511	8.1
57.03429	13.4
57.47801	3.2
59.05007	5.0
64.55308	3.1
67.05502	16.6
69.03434	47.0
69.07076	10.9
69.28754	6.1
69.29086	33.4
71.01357	7.9
71.05000	16.5
73.02911	5.6
76.32524	2.6
79.05494	28.0
81.03425	17.2
81.07058	39.3
83.04996	15.1
83.08622	3.0
85.02911	69.1
85.06541	42.1
86.09696	4.9
87.00831	12.4
87.04458	8.9
91.05483	34.3
93.07044	63.3
93.31868	2.9
95.04973	13.9
95.08596	21.1
97.02893	33.6
97.06546	15.3
99.00809	9.5
99.04451	18.6
101.05954	3.5
103.03909	6.4
103.05505	5.4
104.10777	3.4
105.01856	5.0
105.07028	53.6
107.04918	4.8
107.08603	27.1
109.02868	16.3
109.06554	5.4
109.10164	11.2
110.05994	3.0
111.04479	6.9
111.08083	13.7
113.02372	12.4
117.05508	3.5
117.07022	17.6
119.04922	4.5
119.08572	30.5
121.06517	27.4
121.10138	33.6
123.08056	13.2
123.11739	7.2
125.09608	5.9
127.03917	26.4
127.07510	4.8
129.05511	4.5
129.06990	4.9
131.03412	3.8
131.08578	53.9
133.10114	25.3
135.04459	4.9
135.08078	10.4
135.11713	9.0
137.05975	10.7
137.09627	6.5
141.01872	3.2
142.07840	4.1
143.08560	9.0
145.04977	12.5
145.06479	4.4
145.10132	37.1
147.02879	3.1
147.04459	5.6
147.08025	4.8
147.11687	19.9
149.09607	5.4
149.13176	4.1
151.11241	3.9
155.08585	9.0
157.10152	16.2
158.10855	3.6
159.02887	7.1
159.08109	8.3
159.11691	50.5
161.09595	7.5
161.13248	6.3
163.03920	9.6
163.07649	3.1
163.14821	3.5
171.11778	3.9
173.08154	5.1
173.09613	10.1
173.13280	61.7
175.11211	10.1
177.05452	7.4
177.09256	3.8
177.12782	27.2
183.11664	9.4
185.13403	3.1
187.11211	3.8
189.12726	8.9
191.14291	29.5
195.10159	3.5
201.12749	57.7
201.16306	4.2
203.14357	3.5
215.10707	7.6
217.15901	8.7
219.13831	60.6
231.04922	4.9
233.11533	3.4
233.50722	3.1
235.16937	100.0
253.17958	10.5
285.22003	4.1
293.17493	88.1
303.23315	6.3
307.15302	3.4
311.18524	26.7
321.24261	7.7
447.65475	3.3
465.21036	4.6
483.22141	13.1
501.17865	4.8
501.23392	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	9.8
57.03436	12.3
59.04972	6.5
67.05499	25.2
69.03440	36.8
69.07076	20.6
69.94004	24.7
71.01353	19.6
71.04982	16.5
78.84116	3.9
79.05481	43.8
81.03426	8.6
81.07056	71.7
83.04984	10.6
85.02901	73.3
85.06547	79.0
87.04459	18.6
91.05479	29.2
93.07043	98.9
95.04957	16.9
95.08607	45.4
97.02888	32.6
97.06516	12.7
98.21468	5.8
98.98473	5.1
99.00806	14.7
99.04457	18.6
101.06011	5.0
102.77030	4.4
102.96162	3.7
103.03937	8.5
105.04521	4.2
105.07026	70.7
107.08595	35.6
109.06502	15.7
109.10164	26.4
111.04427	5.7
111.08071	15.9
113.02351	13.8
117.05452	5.1
117.07007	14.0
119.08580	57.3
121.06485	30.6
121.10144	76.6
123.08083	24.3
123.11707	8.1
125.09652	4.0
127.03900	11.6
129.06993	11.5
130.07817	5.3
131.03391	8.2
131.08560	55.4
133.10100	32.6
135.08051	13.0
135.11684	20.6
137.05972	7.2
137.09631	24.5
137.13235	11.2
141.06989	4.8
142.07787	11.8
143.08546	16.5
144.09332	13.3
145.02815	6.3
145.06520	10.8
145.10130	49.5
147.04472	6.4
147.08038	8.1
147.11694	22.6
149.13312	4.9
151.11162	22.7
153.12802	5.3
155.08597	5.4
157.10133	54.0
158.10887	8.7
159.08055	27.8
159.10445	8.1
159.11694	100.0
161.09560	8.4
161.13280	15.8
163.03841	12.6
163.11137	6.7
163.14861	5.9
164.98969	4.0
168.09306	6.1
169.10143	7.1
171.11659	12.7
173.09607	19.1
173.13260	96.2
175.11217	8.4
175.14848	8.2
177.05487	8.3
177.09148	7.3
177.12778	27.3
183.11693	17.6
185.13290	5.5
187.11153	19.3
189.12711	18.4
189.16367	6.1
191.14265	23.5
199.14867	6.3
201.12759	91.4
201.16428	6.8
203.09174	5.5
203.14313	4.1
215.10716	13.4
217.15871	9.4
219.13779	73.5
219.17223	4.4
233.11679	5.9
235.16914	17.8
249.08862	15.6
253.18076	5.5
281.17444	10.9
293.17505	54.4
303.23276	7.9
307.15366	10.8
311.18512	34.4
321.24197	13.6
325.16422	9.7
391.29941	6.9
501.23517	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	501.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28074	2.1
53.03961	3.5
55.01869	3.9
55.05528	5.6
57.03437	8.2
59.04999	5.5
67.05510	14.7
69.03434	11.2
69.07056	8.2
70.02737	5.1
70.03141	9.3
71.01339	7.4
71.04999	11.7
71.15451	2.2
75.04482	2.8
78.82249	2.1
79.05497	19.3
81.03419	4.1
81.07061	36.0
83.04991	3.7
85.02908	34.7
85.06548	25.3
87.04468	8.9
91.05482	22.8
93.07040	41.7
95.04970	9.7
95.08620	19.1
97.02881	17.7
97.06537	14.1
98.97588	2.5
98.98454	3.7
99.00806	9.0
99.04464	10.3
101.02383	2.3
102.53576	2.1
103.03942	4.8
105.07032	42.1
107.08602	24.3
109.06525	4.6
109.10139	5.4
111.04447	2.3
111.08104	6.6
113.02378	6.7
117.07007	15.7
119.08574	17.6
121.06499	17.9
121.10130	13.7
123.08062	7.1
123.11706	4.7
127.03918	5.0
129.06973	5.0
131.03381	4.8
131.08572	48.9
133.10139	9.1
135.08081	5.9
135.11676	7.0
136.34380	2.2
137.13277	8.3
139.92532	2.8
141.07025	4.4
143.08595	5.6
144.09363	5.3
145.06470	3.6
145.10115	24.7
147.11688	10.9
151.11195	12.0
153.12833	2.8
155.08548	7.7
157.10153	8.2
159.08084	8.2
159.11685	36.2
161.09584	4.4
161.13243	2.5
163.03944	3.9
168.09317	2.5
171.11725	5.4
173.08215	4.5
173.09669	9.5
173.13263	59.6
175.11154	3.0
175.14845	2.6
177.12761	14.2
183.11749	12.3
185.13284	3.3
189.12740	6.3
191.10626	2.3
191.14349	29.0
201.12741	55.6
219.13812	59.3
235.16978	5.1
249.08873	9.6
263.10876	2.3
263.45334	2.4
275.16431	4.0
293.17487	100.0
311.18451	27.0
368.82138	2.4
389.19943	3.0
425.93701	2.3
465.21173	5.0
483.22351	13.0
501.23349	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	501.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03957	1.1
55.05503	3.3
56.96575	0.5
57.07063	1.1
65.03938	1.0
67.05503	2.0
69.07069	3.9
70.06591	1.7
70.19238	1.9
70.44263	0.5
71.05023	0.6
71.47497	0.5
72.08145	1.1
77.03909	0.8
79.05492	6.6
81.07039	2.4
84.04518	0.8
84.08109	0.8
85.02908	0.8
86.09718	2.2
91.04910	0.6
91.05479	12.3
93.07040	87.7
94.07365	0.8
95.04977	2.4
95.06081	1.6
95.08607	2.3
97.02938	0.7
97.06528	2.8
98.98471	0.9
105.04533	0.6
105.07008	2.8
107.08588	46.3
108.74572	0.5
109.06500	1.8
109.10139	0.8
111.79601	0.4
113.07124	0.5
117.03335	0.9
119.04974	0.8
119.08575	1.8
120.09317	1.1
135.11687	100.0
136.12015	0.7
145.02791	2.8
147.04381	3.1
148.04810	0.8
153.12721	3.7
161.86423	0.5
163.03937	1.0
177.05460	7.1
187.23851	0.5
215.16704	0.5
233.09377	23.7
238.06841	0.5
251.10435	13.0
309.07672	0.8
375.50333	0.5
457.31009	2.3
480.35806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51295	0.7
53.03947	2.1
55.01849	0.7
55.05511	2.1
55.67769	0.6
56.05074	0.7
57.07078	0.8
57.11786	0.6
62.59101	0.7
67.05505	0.9
69.07069	1.6
70.06585	1.6
70.62180	1.2
70.62582	1.1
71.04987	1.6
72.08150	1.2
75.05613	0.8
75.29137	0.6
79.05489	6.0
81.07050	2.6
84.04533	1.0
85.02903	1.6
86.09703	0.9
88.03993	1.0
91.05483	11.9
91.06023	1.2
93.07044	85.2
95.04967	3.2
95.06088	0.7
95.08599	1.4
97.02915	0.6
97.06529	2.0
98.97597	1.0
105.07040	3.6
105.36337	0.7
107.08595	45.8
109.06518	1.6
109.10153	1.0
110.07190	2.2
119.06130	0.7
119.08564	2.0
123.11712	1.2
127.03859	0.7
135.11691	100.0
136.12057	0.8
145.02818	1.1
147.04402	1.8
153.12737	7.0
156.07700	0.8
161.02916	0.7
163.03946	1.6
177.05537	0.6
204.10233	0.9
217.11922	0.6
233.09380	38.2
251.10452	10.2
305.52948	0.6
309.74716	0.5
315.44394	0.6
322.07370	0.7
389.71356	0.6
457.30594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01867	2.5
55.05505	3.2
55.15538	1.2
57.03433	3.8
61.02927	2.7
67.05515	1.2
69.03435	9.7
69.07070	2.2
70.06594	2.9
71.04991	2.3
71.60400	1.6
73.02929	2.0
81.03418	5.2
81.07054	4.1
83.04980	3.9
83.08621	1.5
84.04527	1.9
85.02905	20.2
85.54982	1.2
86.09706	2.7
87.04498	1.7
91.03964	2.0
91.05486	4.7
93.07059	5.0
94.04261	1.4
95.04990	2.8
95.08595	1.8
97.02914	12.8
97.06544	2.1
99.04454	2.8
103.05476	46.2
103.06149	2.9
105.07069	4.6
107.04949	1.8
107.08596	3.8
107.76411	1.4
109.02893	3.8
109.10220	2.0
119.04918	1.5
119.08598	3.0
121.06563	1.8
121.10138	2.2
122.03638	1.8
123.04354	1.3
125.02407	2.0
127.03918	6.2
131.04932	75.3
131.08595	2.0
131.27126	1.4
133.10063	1.7
135.04388	3.1
137.05992	28.8
145.05028	1.5
145.06412	2.1
145.10161	2.7
146.03661	3.0
147.04459	4.4
151.07582	2.1
157.10086	1.6
159.11755	3.0
161.05997	12.8
163.03905	4.3
163.07553	100.0
164.04227	1.6
164.07959	1.6
170.03706	1.3
173.06059	1.7
175.07611	3.1
177.05530	4.6
184.83598	1.3
185.06018	5.2
187.07603	2.1
187.11005	1.8
199.07538	6.2
203.08653	1.7
205.12251	1.9
207.08023	4.0
215.07033	5.4
217.15758	1.5
218.07297	4.2
219.08035	3.4
227.94157	1.5
231.08009	1.6
235.07527	7.6
235.16879	2.9
246.06696	3.0
247.07561	3.2
248.08345	1.4
249.09132	4.4
250.09961	3.7
259.07620	1.4
261.09079	2.2
262.06369	1.8
263.07025	8.8
263.10776	1.7
264.07581	1.4
274.06317	1.4
275.07028	3.2
277.08557	7.2
278.09406	6.5
279.06641	1.5
279.10104	1.4
281.11798	3.2
289.08621	8.0
290.09290	2.5
291.06567	2.8
291.10214	4.3
292.11081	1.6
293.08096	1.7
294.08884	2.3
295.09439	1.4
297.65967	1.4
306.08893	17.6
309.07562	2.1
309.11102	12.6
321.11221	65.8
322.11618	1.8
323.12891	6.1
339.12302	5.1
341.12296	6.2
501.18744	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	501.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07869	0.4
56.86599	0.5
59.13076	0.5
61.98448	0.4
65.03948	1.9
67.05527	0.6
69.03430	0.6
70.06587	0.5
70.78696	1.2
79.05499	1.9
81.03443	0.6
81.07045	1.3
85.02920	1.1
87.83626	0.7
89.03926	7.5
91.05484	14.5
95.04985	1.2
95.08570	0.8
97.02895	0.6
105.07041	0.7
107.04975	1.4
107.08633	0.7
109.02895	0.7
109.10109	0.5
117.03389	6.4
119.04946	29.1
119.08598	0.7
127.03917	1.4
133.10141	0.9
135.04422	16.3
135.11722	0.6
137.05980	0.7
145.02853	10.3
145.10159	0.6
147.04413	100.0
163.03909	75.8
164.04266	1.4
177.05466	0.8
186.05544	0.6
235.13162	0.6
235.16891	0.6
236.36484	0.6
253.14233	0.8
293.96991	0.6
303.08600	1.2
319.08084	1.3
321.10007	0.6
337.09256	0.8
446.98367	0.5
483.12958	2.8
501.22809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63781	1.7
55.05506	4.1
57.03434	2.6
59.04982	3.2
60.34460	1.7
61.02917	2.7
63.14084	1.7
64.90243	1.6
67.05482	3.4
69.03438	15.6
69.07054	4.6
70.06597	6.2
71.04996	18.5
73.02918	3.1
73.06535	2.9
79.05495	5.5
81.07063	18.4
84.08137	3.2
85.02911	18.1
85.06536	1.9
87.04465	10.4
88.23970	1.8
91.05473	3.2
93.07058	19.6
95.04972	1.7
95.08621	6.3
97.02894	14.5
97.06533	3.6
98.06000	1.8
99.04498	2.2
99.08089	2.2
107.08605	13.2
109.10142	6.3
111.08045	1.9
114.10003	1.8
115.03937	13.2
119.04925	1.7
119.08602	2.1
123.11726	4.9
127.03900	3.9
129.73953	1.6
130.06493	2.2
133.04965	15.0
134.78809	2.0
135.11700	27.9
141.12761	14.5
143.84048	1.6
145.02780	2.6
145.04938	4.5
145.06584	1.9
147.04387	6.4
150.05443	2.0
153.12759	100.0
161.05917	2.2
163.03906	2.4
169.12209	1.8
171.13809	53.1
174.07581	2.2
176.06993	3.6
177.05432	3.6
189.14865	5.9
202.44536	1.9
209.53427	1.8
251.10440	5.3
259.08176	2.3
290.15753	2.1
295.10120	2.5
369.15021	1.8
382.72482	1.8
432.02036	1.8
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
53.03931	0.7
56.38985	0.6
58.39492	0.5
62.49353	0.5
65.03958	0.7
67.05502	0.8
69.03401	0.7
70.06573	0.7
70.37878	2.5
79.05499	1.3
81.07035	1.7
85.02897	0.7
87.00774	0.6
89.03402	0.9
89.03915	9.9
91.05479	8.0
93.07029	0.7
93.45239	0.5
95.04943	0.8
96.91710	0.7
107.04935	2.6
117.03385	10.4
119.04948	16.4
124.31204	0.5
133.10150	0.7
135.04413	20.8
137.13278	1.3
145.02844	13.6
145.10124	0.9
147.04407	67.8
163.03905	100.0
164.04167	1.2
177.05547	0.9
178.39198	0.6
182.60233	0.6
253.14336	1.0
303.08719	2.1
319.08179	2.6
356.83197	0.7
389.27423	0.6
483.12860	5.0
501.19235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53013	0.1
55.01854	0.2
55.05492	0.2
56.05036	0.3
56.41920	0.1
56.96571	0.2
57.03425	0.3
58.06341	0.2
58.06595	0.3
60.08161	5.7
61.02916	0.3
63.02386	0.2
65.68038	0.2
67.05482	0.5
69.03418	0.6
70.06580	0.7
71.04980	0.2
71.07365	2.6
71.58190	0.2
71.58543	0.2
79.05495	0.7
81.03404	0.9
81.07072	0.3
83.04980	0.4
84.08157	0.2
85.02899	1.6
86.09701	28.9
89.03912	1.6
90.04248	0.6
91.05474	0.5
93.07034	0.5
95.04973	1.2
95.08585	0.3
96.05293	0.3
97.02868	0.8
98.98456	2.0
99.08109	0.3
104.10744	3.0
105.07014	0.4
107.04960	0.5
107.08583	0.2
108.05230	0.2
109.06454	0.2
109.10190	0.2
111.04462	0.2
117.03383	1.9
118.03718	0.8
119.08563	0.3
121.10140	0.3
123.08069	0.7
124.99998	17.8
127.03907	0.6
129.10210	0.2
133.10071	0.3
135.04405	4.5
136.04739	1.8
141.01501	0.1
143.01018	0.2
145.02843	3.0
145.04881	0.4
146.03178	1.4
147.04391	0.4
147.11729	0.2
163.03897	22.9
164.04233	11.7
165.04379	0.3
181.04866	0.2
183.22115	0.2
184.07330	100.0
185.07648	0.6
186.05496	0.2
197.15506	0.2
241.08585	0.2
250.35118	0.2
258.10901	0.2
259.09558	0.2
267.15781	0.2
279.06601	0.3
280.06946	0.3
303.05066	0.7
314.06271	0.2
319.08038	1.7
320.08557	2.4
361.03952	1.1
362.03973	0.2
377.01483	0.2
379.05017	0.2
432.21393	1.2
450.22501	10.6
455.35040	0.2
482.25067	0.5
498.51611	0.2
500.12695	1.7
501.18820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01867	6.0
55.05500	7.9
57.03433	5.3
61.02920	5.3
61.95405	1.5
65.33598	1.6
67.05508	10.6
68.44949	1.8
68.99800	1.9
69.03429	25.3
69.03767	2.6
69.07066	6.8
71.04988	5.4
71.59453	1.8
71.90928	1.5
73.02911	5.2
79.05496	10.2
81.02969	3.2
81.03423	30.6
81.07056	33.4
83.04990	15.1
83.08611	2.1
85.02909	73.8
85.06523	2.6
87.00837	33.1
91.05479	17.0
93.07049	25.0
95.04987	6.8
95.08612	19.6
97.02901	33.2
97.06487	1.9
99.04445	12.5
101.02371	2.1
105.01871	60.3
105.07037	53.4
105.07758	2.3
107.04971	5.1
107.08593	24.3
109.02894	21.2
109.06507	5.9
109.10167	17.7
117.07013	11.7
119.08595	26.0
121.06499	7.5
121.10182	9.1
123.04443	2.0
123.08079	3.1
123.11712	27.7
127.03921	55.9
128.06223	5.7
129.01804	1.7
129.06985	9.6
131.08572	30.6
133.06471	9.6
133.10127	21.7
135.08047	4.2
135.11731	4.7
142.07785	6.2
143.08566	32.1
145.04959	26.2
145.10112	11.4
147.02899	2.7
147.08049	6.1
147.11717	12.2
149.13278	8.4
156.09386	2.2
157.10141	31.6
159.02917	9.1
159.11708	27.3
161.06905	1.7
161.09656	10.5
161.13313	2.9
171.11719	10.3
173.13246	11.1
175.11189	7.2
175.14894	3.2
183.11652	1.8
185.13223	1.8
189.03986	4.6
189.16394	23.9
199.14821	41.9
201.12721	3.0
211.14755	1.5
213.03935	3.3
217.15894	100.0
218.16211	2.1
225.16396	2.0
231.05023	18.4
235.16971	28.0
236.17307	1.9
241.15886	4.0
249.06151	11.5
257.15549	2.0
271.92148	2.3
301.18277	2.1
307.16873	2.8
318.97336	1.8
343.19077	2.1
361.19891	1.9
403.21167	2.1
429.19034	3.9
447.20181	4.0
465.21387	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	500.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.4
55.01856	9.8
55.05515	4.0
57.03418	6.4
61.02911	5.5
62.18359	2.6
63.71263	2.3
67.05502	7.2
68.99780	3.5
69.03426	38.8
69.07049	2.6
70.64034	8.9
71.04976	6.7
71.46484	2.5
72.91255	2.3
73.02914	11.0
78.71172	2.5
79.05472	9.6
81.03416	33.9
81.07056	18.8
83.04991	3.0
83.08603	2.8
84.04465	4.2
85.02900	100.0
85.22450	2.3
87.00827	35.1
91.03914	3.4
91.05469	10.7
93.07063	13.1
95.04956	4.5
95.08599	13.3
97.02888	49.5
97.06537	3.4
99.04446	19.6
105.01854	42.7
105.07041	18.4
107.04957	3.8
107.08571	14.1
108.04459	7.4
109.02869	40.4
109.06499	5.8
109.10137	11.0
111.04421	6.5
117.01852	4.7
117.07015	4.7
119.08590	12.0
121.10184	6.3
123.04417	4.7
125.05976	16.1
125.73957	2.3
126.05502	6.1
127.02971	3.8
127.03908	71.5
129.01836	7.8
129.07013	3.4
131.08568	11.8
133.10117	17.1
135.08066	3.5
137.05951	3.1
143.08553	5.4
145.04956	36.8
145.10115	6.5
147.02869	4.3
147.08029	4.5
147.11676	7.8
151.07625	2.3
155.08551	3.5
157.10138	4.7
159.02850	18.7
159.11664	4.9
161.09604	10.5
163.03871	10.4
164.04248	6.0
168.06538	5.7
171.11613	4.2
173.09615	6.1
173.13226	6.4
175.14844	4.9
179.45253	2.5
181.10106	3.0
182.32405	2.5
185.09689	2.6
187.14888	4.0
189.16318	7.2
191.10788	3.8
195.11807	2.8
195.94373	2.5
197.13341	3.7
199.14755	8.2
201.12735	3.9
211.82095	2.5
213.03920	5.9
215.14340	2.8
215.26480	2.5
217.12512	3.2
217.15862	65.6
219.13634	3.9
231.04982	15.4
233.15254	8.1
235.16913	14.8
243.13560	3.6
252.80557	2.7
257.15332	4.9
259.16876	3.3
279.17432	5.6
297.18463	5.0
303.88535	2.8
307.16833	8.0
325.18094	14.6
328.56235	2.8
343.19055	11.7
361.20078	7.1
411.17984	4.4
419.20453	5.8
429.18979	11.2
437.21793	3.1
447.20224	17.2
465.21191	36.3
483.22345	5.5
500.26535	25.1
500.33307	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	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.7
55.01863	5.0
55.05504	32.1
55.18658	2.9
57.03434	27.8
57.07070	7.1
61.02641	4.2
61.02925	49.5
65.03924	4.4
66.46038	2.5
67.05500	85.6
69.03429	34.4
69.07064	37.6
71.01335	7.5
71.04994	6.7
71.08615	3.9
71.57961	4.0
73.02915	26.0
79.05496	26.4
79.35919	2.7
81.03410	23.0
81.07052	87.8
83.04971	9.6
83.08610	24.6
85.02899	59.9
85.06519	3.8
87.04451	3.4
89.03925	6.3
91.03962	35.9
91.05476	28.8
93.07041	34.3
95.04959	11.3
95.08601	72.2
97.02883	48.5
97.06507	9.3
97.10149	10.8
98.24590	2.5
99.04444	9.9
101.02364	17.3
103.03938	11.2
105.07014	21.1
107.04926	4.8
107.08591	19.6
109.02885	14.0
109.06499	3.5
109.10145	26.8
111.04452	6.4
111.08080	4.8
115.03923	7.7
117.03373	8.5
117.05499	2.6
117.06972	3.4
119.08558	18.5
121.10152	16.8
123.11698	16.6
127.03890	24.3
127.11230	3.0
129.05421	7.0
129.06990	4.0
131.08542	5.0
133.10101	13.9
135.04395	22.7
135.11696	14.2
137.09637	4.3
137.13293	4.2
139.11156	3.2
145.02866	12.7
145.04942	6.0
145.10118	3.8
147.11658	9.6
149.13263	6.2
151.11092	3.5
159.11629	5.2
161.13231	9.8
163.03902	100.0
163.14764	6.9
164.04178	4.2
175.14845	4.6
179.24701	2.7
183.06569	3.5
195.00253	13.6
201.07611	5.3
219.08607	2.8
245.22545	13.1
261.22156	4.1
263.23706	25.7
305.24863	4.8
311.03299	2.8
319.08109	13.7
328.00433	2.7
337.27328	96.5
340.35373	2.9
365.26871	6.3
371.25818	8.1
389.26889	3.0
445.29153	5.1
463.30273	4.5
481.31390	11.7
499.12375	3.9
499.26495	4.0
499.32700	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03097	2.8
53.03939	8.1
55.01857	4.3
55.05516	26.7
57.03440	26.7
57.07064	8.3
57.49356	3.2
60.08156	7.1
61.02927	54.7
67.05174	5.6
67.05506	77.1
69.03429	29.7
69.06718	3.5
69.07071	37.1
71.01333	4.3
71.04990	5.8
71.07360	3.6
71.08628	4.5
71.35979	6.3
73.02924	30.5
79.05484	28.0
81.03420	26.0
81.07059	85.1
83.04970	8.3
83.08630	18.5
85.02910	63.4
86.09717	17.0
87.04473	3.6
87.10036	6.0
91.03957	49.5
91.05482	24.5
93.07043	29.5
95.04943	3.8
95.08609	62.6
97.02283	3.7
97.02893	49.5
97.06551	6.8
97.10162	11.6
99.04439	10.1
101.02385	14.2
103.03949	11.5
104.10742	33.9
105.07037	14.8
105.11072	14.5
107.08571	20.0
109.02887	14.4
109.06502	3.3
109.10168	23.6
111.04451	4.1
113.09648	2.8
115.03912	7.1
117.05521	4.3
117.07013	3.2
119.08573	17.3
121.10126	17.7
123.11720	15.2
125.00033	4.9
127.03909	26.2
129.05479	3.5
131.08566	5.3
133.10110	12.0
135.11676	13.1
135.96574	3.2
137.13255	9.9
139.11180	3.5
143.08658	3.3
145.04938	7.1
145.10164	3.4
147.11665	10.4
149.13261	8.9
151.11086	3.4
151.14780	3.7
159.06419	2.9
161.13261	10.1
162.97662	3.8
163.03925	12.3
163.14818	8.0
165.16415	3.0
173.13197	3.7
174.09306	2.8
175.14836	9.7
177.16248	3.3
183.06537	6.9
184.07352	21.9
185.07684	9.3
186.07777	15.9
187.08102	4.8
201.07439	3.0
226.27379	3.2
245.22620	14.8
263.23752	29.7
314.27383	4.5
337.27368	100.0
338.27725	3.7
365.27014	4.4
457.24185	3.8
481.32141	8.6
499.33362	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	499.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	2.4
55.05520	31.4
57.07073	1.9
57.17287	1.8
67.05497	5.3
67.65482	1.9
69.07063	6.3
69.37609	13.2
69.38034	6.1
74.45309	1.9
76.46938	2.1
79.05490	4.1
81.07062	11.5
83.04991	72.1
83.08620	2.9
85.06550	15.2
91.05483	5.9
93.07048	8.5
94.04211	2.3
95.04966	4.9
95.08608	15.7
101.99371	2.1
105.07055	8.1
107.04977	2.7
107.08597	10.2
109.06491	2.4
109.10181	6.5
115.05481	2.8
117.07025	2.9
119.08584	5.0
121.10155	6.2
122.03697	4.5
123.11679	4.2
125.09673	5.5
129.07021	5.6
131.04919	7.0
131.08527	3.3
133.10141	3.8
135.11694	3.1
137.05989	100.0
137.09590	2.2
145.06496	2.5
145.10158	3.4
147.04358	9.8
147.11685	2.7
149.13289	2.7
151.07547	4.6
157.06458	6.7
159.11708	3.6
160.05251	4.7
161.06012	2.4
161.13286	3.4
161.94308	1.8
163.07594	5.4
163.14774	4.7
165.06999	2.1
167.07092	2.6
175.07593	19.1
179.07071	5.0
179.14366	2.8
187.07542	10.5
189.09096	10.9
199.07664	3.7
201.09125	6.0
203.10683	5.2
213.09113	4.8
215.10699	3.6
217.08604	9.4
219.10139	2.0
231.10120	13.9
243.13795	2.4
249.11258	9.2
254.23471	2.1
257.15417	3.3
275.20047	5.2
281.15369	2.9
285.37323	2.0
299.16373	11.1
331.15326	2.9
381.24249	3.1
399.25345	7.9
476.05591	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.05514	61.6
57.07056	1.1
60.08157	3.6
67.05515	1.7
68.40120	1.0
69.98460	0.9
70.25548	4.3
71.07355	2.2
81.07043	1.2
82.26595	1.0
83.04984	100.0
86.09702	11.3
87.09565	1.1
87.10014	4.9
91.05479	1.9
95.08580	1.5
104.10745	19.4
105.06995	2.3
105.11069	7.7
106.11242	1.4
107.08585	1.3
111.04456	2.5
117.10870	1.1
119.08590	17.7
125.00033	4.9
127.00425	3.8
133.10130	3.4
134.73997	1.0
145.10141	3.5
147.11702	2.4
157.10143	1.9
159.11696	3.1
169.10095	1.8
171.11682	1.1
173.13271	1.2
183.11682	1.5
184.07373	10.9
185.07713	5.8
186.07767	9.7
187.08092	1.7
189.16335	1.3
197.13278	1.1
201.16425	1.2
253.19495	2.8
281.19019	3.0
299.20035	12.1
317.21103	1.7
481.33978	2.3
499.34845	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	499.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82073	0.6
53.03942	1.7
53.12969	0.5
55.05510	49.5
67.05506	1.7
69.07055	0.7
70.20921	0.6
70.32616	1.8
79.05473	0.8
81.07064	1.5
82.14925	0.6
83.04980	100.0
91.05492	1.7
93.07047	1.5
95.08591	3.2
105.07045	2.7
107.08604	1.6
109.10152	1.0
111.04452	2.1
117.06969	0.7
119.08582	16.7
121.10165	0.7
131.08598	1.4
133.10123	3.7
135.04424	0.8
145.10124	1.9
147.11705	1.9
156.09346	0.8
157.10162	2.3
159.11703	2.9
163.03966	3.1
169.10126	1.4
171.11765	1.7
173.13260	0.9
183.11667	1.1
185.13391	1.1
187.14818	0.6
189.16377	1.7
197.13322	1.6
203.33203	0.6
211.11201	0.7
211.14856	0.9
215.10806	0.8
221.13300	0.7
239.14316	0.7
239.17982	1.1
243.13962	0.7
253.19666	1.4
281.19061	2.6
299.20044	13.4
317.21155	2.3
450.71606	0.6
499.30597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01863	7.6
55.05498	10.9
57.03431	14.3
59.05016	14.2
59.05259	3.1
61.02934	2.9
67.05511	12.0
69.03436	16.3
69.07068	14.8
71.01359	22.8
71.04993	16.3
72.49411	2.2
72.59766	2.4
73.02905	6.4
75.04469	5.3
77.03925	4.0
79.05489	29.4
81.03426	3.6
81.07060	51.6
83.04971	7.7
85.02426	4.1
85.02907	58.4
85.06532	8.9
87.04469	20.1
91.05489	35.3
93.07044	86.8
95.04969	15.3
95.08633	12.1
97.02882	23.7
97.06544	22.6
99.00831	13.2
99.04458	37.5
101.06039	2.9
101.63040	2.4
103.03948	14.6
103.05462	3.7
105.07031	91.6
107.04990	6.1
107.08593	26.2
109.06519	27.7
109.10118	4.9
111.04435	8.9
111.08157	2.8
113.02362	14.5
117.07065	3.3
119.08588	58.1
121.05657	5.1
121.06510	75.7
121.10098	7.0
123.08080	5.1
125.05994	3.0
127.03894	4.6
127.07534	10.1
128.06233	5.7
129.05472	5.5
129.06972	7.4
131.03439	4.9
131.08563	9.7
133.06438	3.2
133.10139	30.5
135.08069	4.7
137.05984	7.5
139.07539	15.4
141.01765	3.5
142.07753	8.8
142.12279	9.7
143.08536	17.9
145.04947	5.9
145.06505	3.1
145.10114	18.1
147.08035	6.7
147.11688	84.1
151.07545	5.3
155.06985	2.6
155.08566	3.6
156.09319	8.2
157.10136	30.4
159.08096	2.9
159.11697	6.7
161.09576	9.0
161.13280	32.8
163.03903	9.5
163.11226	3.7
169.05020	2.9
171.11694	29.6
173.09557	4.9
173.13202	4.1
175.11197	26.8
181.10040	2.7
189.12733	61.7
193.12218	4.5
199.11256	19.0
207.13838	22.1
215.05518	7.8
217.12250	100.0
219.01807	3.4
235.13300	33.3
253.14424	7.9
277.37894	2.8
291.15881	11.9
309.16959	42.0
337.16409	2.9
351.18268	3.1
449.18060	5.8
481.20834	5.9
499.21951	21.8
499.28348	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	499.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31063	0.9
53.03939	1.5
55.05511	3.1
57.07079	1.6
59.05025	1.1
67.05495	1.4
69.03418	1.1
69.07059	2.8
70.00896	1.8
70.01320	3.3
70.06588	0.9
71.04990	11.8
74.81381	0.7
79.05489	6.6
81.07057	9.3
82.01189	0.7
83.05012	1.1
85.02918	1.4
85.06501	0.7
91.05488	12.2
93.07047	84.4
95.04966	3.3
95.08608	2.4
95.81931	0.7
97.06545	10.0
105.07026	3.1
107.08598	45.6
109.06540	2.7
109.10155	2.5
119.08561	2.4
121.02899	1.0
123.11726	4.5
127.03924	1.8
130.06502	0.9
135.11694	100.0
147.04431	2.3
147.11684	1.0
153.12750	57.6
153.54819	0.8
161.09622	0.9
181.14601	0.8
223.09831	0.7
233.09381	21.0
235.07166	0.9
237.02914	1.4
251.10464	21.7
279.06464	2.7
307.05960	1.5
308.35016	0.8
413.11722	1.3
439.38986	0.8
481.11115	1.4
499.11743	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	499.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01869	2.1
55.05509	7.6
67.05502	1.5
67.20963	0.4
69.03435	1.4
69.28490	5.1
79.05495	1.3
81.03416	1.0
81.07045	1.2
83.04977	65.0
85.02882	0.9
85.06546	0.5
89.03922	1.0
91.05480	1.3
93.07034	2.9
95.04961	1.1
95.08604	1.8
97.02908	0.6
98.21536	1.0
105.07025	2.4
107.08591	1.4
109.02901	0.9
109.06512	1.2
109.10152	0.7
110.75969	0.4
117.03394	2.0
119.08595	1.1
121.06494	2.3
121.10152	1.7
123.08065	7.6
123.11685	0.9
127.03920	0.8
129.06999	0.8
131.08551	6.9
133.10139	1.5
135.04414	3.2
135.08017	1.2
137.09651	1.4
141.46266	0.5
145.02850	2.4
145.10100	1.4
147.11653	2.4
149.09619	9.4
151.11200	2.9
159.08063	1.9
159.11716	0.4
163.03897	17.4
163.11128	0.5
164.04240	0.5
175.11145	0.6
177.09097	13.5
187.14731	1.0
205.15898	2.6
233.15352	100.0
234.15727	1.4
251.16467	1.0
279.23749	0.4
309.59073	0.5
319.07999	2.3
349.77713	0.5
411.09192	0.6
499.21967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78516	2.5
53.57093	2.6
59.27537	2.6
59.78750	2.3
61.84933	2.7
69.03443	2.8
70.06579	3.0
71.57487	4.5
78.79002	2.5
80.36184	2.4
82.60591	2.3
84.40450	2.3
85.02908	5.8
97.02909	5.2
100.33009	2.4
101.00876	5.6
113.00901	2.8
119.01909	20.3
131.01894	8.1
132.69144	2.7
137.02997	6.7
139.02386	2.9
143.01900	16.1
145.03467	28.9
149.02939	3.8
155.01878	15.9
157.03455	13.0
161.02921	24.6
163.04517	6.4
167.01888	6.6
169.03455	5.1
171.01385	5.8
173.02975	46.3
175.04509	6.2
185.02953	42.2
187.04512	4.5
189.02470	5.7
191.04053	3.7
197.02943	20.0
199.04512	4.8
203.04045	14.2
209.03001	3.9
215.03937	13.4
217.01927	32.3
221.05110	4.6
227.03983	6.1
229.01953	6.9
235.02841	17.1
239.06055	3.1
245.05086	100.0
246.05440	4.3
247.03044	8.1
247.61995	2.5
255.07271	4.1
257.05051	15.9
258.04675	3.7
263.06140	11.6
275.06058	26.1
277.04102	18.8
301.04065	4.6
305.07132	14.0
319.05127	25.4
335.08182	5.9
337.06113	33.5
365.09256	11.7
383.10214	4.6
436.49942	2.7
457.24231	3.6
499.11200	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	8.7
57.03424	1.6
60.28447	1.1
70.06554	2.7
74.09700	1.2
77.00888	1.2
81.03388	2.7
82.99860	1.5
84.04447	1.2
84.96003	2.3
85.02869	3.8
94.99834	1.8
97.02849	3.1
98.21513	3.0
98.97017	1.9
98.97581	18.6
101.00858	6.1
103.02451	2.9
105.00339	1.2
110.97552	4.7
113.00871	1.7
116.98615	17.6
118.08672	1.6
119.01163	2.1
119.01923	30.7
121.01608	1.4
121.03464	2.7
127.02348	4.0
127.03863	3.7
128.98619	11.0
131.00198	2.2
131.01903	15.3
133.03423	3.1
133.06053	1.3
134.99660	9.9
137.02911	4.6
139.02336	2.0
140.00146	1.3
140.98592	1.3
143.00179	2.8
143.01888	17.0
145.01656	2.4
145.02452	1.9
145.03470	37.5
146.03511	2.1
146.99623	14.5
147.01349	1.7
147.04239	1.4
149.01106	2.7
149.02933	4.4
153.00720	2.0
155.01892	22.7
156.04205	17.8
156.98195	1.5
157.03397	13.3
157.04539	3.2
158.99699	7.5
161.01189	5.8
161.02893	29.5
163.04387	4.2
165.00644	2.3
167.01854	6.3
169.03394	3.5
170.99585	10.7
171.01314	3.2
171.05055	7.8
173.02960	49.7
174.03047	2.1
174.04356	2.5
174.99142	11.4
175.02773	1.6
175.04417	6.9
177.00732	15.4
179.01907	3.1
182.99651	1.7
183.04919	1.6
184.04448	3.5
185.02954	46.8
187.02817	2.2
187.04439	7.3
187.05923	2.1
189.00630	21.0
189.02364	6.6
189.03850	1.2
189.05997	2.3
191.02179	3.3
191.03925	4.2
193.00238	21.5
195.01688	2.0
196.04480	4.6
197.02914	20.1
198.03189	1.5
199.00865	2.9
199.02763	1.2
199.04456	6.0
201.00699	17.8
201.02362	2.8
201.05922	2.8
203.02191	3.4
203.03987	16.0
207.01717	4.6
208.04457	1.9
209.02881	4.3
211.04399	2.1
212.02362	1.5
215.02281	1.4
215.03960	11.3
216.05400	1.9
217.00079	7.0
217.01978	31.2
217.05183	7.8
219.01759	18.9
221.05043	4.8
227.03940	8.1
229.02013	7.3
229.43507	1.6
231.01604	2.4
235.01067	4.6
235.03120	16.5
235.06549	2.0
237.02840	8.6
237.07956	2.0
243.01649	4.7
245.05081	100.0
246.05075	4.1
247.02867	4.3
247.06616	2.7
249.02573	1.8
255.57193	1.5
257.05099	18.5
258.04471	2.0
259.04788	1.7
261.02844	18.5
263.06131	9.8
265.04144	2.0
273.08014	4.0
275.03467	1.8
275.06116	25.8
277.03864	12.5
277.07217	3.7
279.03870	12.2
279.08997	2.8
291.03882	10.0
293.07040	4.4
295.03180	1.4
301.04230	7.6
305.07285	8.2
309.04764	2.1
319.04663	15.3
319.08383	2.9
321.04889	9.8
321.10391	2.0
335.07883	4.3
337.06189	21.2
351.05792	3.4
365.09253	11.9
379.05249	5.1
379.09451	1.8
381.06812	3.1
383.10098	2.3
399.07877	4.9
439.12698	2.9
481.08453	3.5
499.10596	56.7
500.10907	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.4
56.17413	2.4
64.82111	2.1
65.03933	2.4
67.03490	2.2
67.05489	17.7
69.03411	4.6
69.07056	6.3
69.36423	20.3
69.36842	5.7
79.05482	9.7
81.07053	16.2
85.02889	3.7
88.02291	2.5
91.05457	9.2
93.07029	11.0
93.76350	3.0
95.04969	4.1
95.08603	19.1
97.02852	3.6
99.07478	3.9
99.08088	45.1
105.07051	17.0
107.08614	20.8
109.06542	3.4
109.10149	100.0
111.04427	4.3
119.08556	9.4
121.06523	3.0
121.10139	12.8
123.08086	3.0
123.11690	3.1
125.05957	4.2
127.03937	4.2
131.08583	3.3
133.10110	9.7
135.04385	3.2
137.13255	5.1
139.07576	2.8
142.04172	2.4
145.10110	6.3
147.08072	2.8
147.11667	13.6
149.09540	2.7
159.11681	7.3
163.03830	13.5
165.12717	4.4
173.13254	3.2
185.13167	2.9
193.12230	11.5
209.11745	13.7
211.13254	23.7
219.13768	4.7
233.15366	5.2
255.20999	3.1
301.21552	3.6
319.22668	70.6
388.76389	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	498.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05515	9.8
57.03437	8.8
57.07071	1.3
57.72345	1.4
61.02913	3.2
65.03940	1.8
67.05504	42.7
69.03399	1.9
69.07071	10.5
69.07387	2.0
69.24261	1.3
70.72610	4.6
71.04992	2.7
73.02896	1.5
79.05489	23.6
81.07054	40.8
83.08610	4.3
85.02885	3.5
89.03922	2.6
91.03940	2.0
91.05482	11.2
93.07047	24.1
94.39806	1.3
95.04959	3.0
95.08603	32.6
97.02867	2.8
97.06536	1.9
97.10148	1.5
99.08127	1.2
105.07023	6.9
107.08588	12.7
109.10154	11.5
117.03386	1.6
117.07011	3.2
119.08560	7.3
120.96632	79.3
121.10158	8.5
123.11702	2.9
131.08575	4.2
131.87334	1.6
133.10124	4.7
135.04437	3.5
135.11684	8.0
138.97676	2.9
145.02855	2.8
145.10094	3.5
145.99788	5.0
147.11684	2.2
149.13287	3.2
159.11647	2.1
161.13310	1.7
161.99203	1.5
163.03897	26.1
164.00838	68.1
173.13324	2.5
174.98531	1.3
176.99307	2.2
195.00302	42.5
200.01628	1.8
205.03545	2.1
306.60794	1.4
319.08057	2.3
326.24664	1.4
335.25803	38.7
335.29816	2.2
336.26178	3.9
357.24078	16.0
437.20502	2.6
455.21689	100.0
498.25888	70.6
498.31400	3.0
499.25943	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01870	0.5
55.05510	1.1
55.09236	0.3
55.89857	0.4
57.03437	5.0
59.04991	2.1
61.02924	0.9
62.06091	0.3
63.02372	0.8
65.03947	0.6
67.05502	1.6
67.36991	0.3
69.03426	6.4
69.07079	1.1
70.06592	1.7
70.92948	0.9
71.01385	0.3
71.04995	5.9
73.02915	9.7
79.05491	9.3
81.03423	0.9
81.07056	57.0
82.07394	0.7
83.04979	4.8
84.04470	0.4
85.02901	6.4
85.06536	0.5
86.09724	0.4
87.04470	1.2
89.03915	7.8
91.05492	0.9
93.07060	1.1
95.04971	3.6
95.08604	0.8
97.02888	7.4
97.06532	1.1
99.04488	0.5
101.06029	1.9
105.07037	0.5
107.04952	2.4
107.08567	1.1
109.02879	0.8
109.06528	0.5
109.10169	1.7
110.07215	0.5
111.04444	0.4
115.03931	5.1
117.03384	7.9
117.04209	0.3
119.04959	0.6
121.10152	0.7
123.11686	3.2
127.03900	2.4
131.04980	0.5
133.04959	1.3
133.10136	0.9
134.03612	0.4
135.04411	18.4
136.07529	0.5
137.05933	0.7
139.11191	1.5
140.88451	0.4
145.02849	13.9
145.04950	1.9
147.04416	1.2
151.11157	3.3
157.12236	0.7
162.05554	0.4
163.03902	100.0
164.04214	0.7
169.12239	65.7
170.12584	1.2
181.04941	0.7
182.48117	0.3
187.13303	12.7
196.89110	0.3
223.05948	0.5
241.07159	0.6
259.07974	0.5
292.02539	0.5
295.46878	0.4
318.08463	0.5
319.08142	12.0
324.05457	1.0
498.10379	3.6
498.25400	2.0
498.36252	0.8
499.12070	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	498.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05510	0.9
57.03437	1.9
62.06098	0.5
62.08145	0.6
67.05510	2.4
69.03429	5.7
69.07067	1.1
70.06599	3.1
70.15373	1.7
71.04980	1.3
72.81680	0.6
73.02924	0.9
74.84954	0.5
79.05501	1.5
81.03408	1.5
81.07044	2.9
83.04969	1.3
85.02908	9.1
85.06573	0.7
86.03288	0.5
86.09714	1.0
87.00836	26.6
87.04490	4.0
89.03917	5.0
91.05473	1.5
93.07053	1.5
95.04974	2.9
95.05488	0.5
95.08599	1.5
97.02897	100.0
97.06542	1.3
98.03279	0.5
98.21413	0.7
98.97568	0.7
101.80219	0.5
105.01875	15.7
105.07033	0.9
107.04960	1.4
107.08583	1.2
109.10167	1.4
111.04431	1.3
111.08055	0.8
115.03940	3.7
117.03397	5.8
119.04879	0.8
119.08614	0.8
121.10196	0.7
123.04424	0.6
123.11742	0.6
127.03909	3.0
131.04947	0.6
133.04991	1.3
133.10124	1.5
135.04414	11.7
135.11716	0.9
145.02855	8.4
145.04964	1.4
147.04401	1.7
147.08034	0.5
151.11174	1.7
163.03914	61.1
163.11172	0.6
169.12314	2.8
171.11888	0.5
177.05501	0.9
178.05902	0.6
179.10716	0.7
181.04997	1.1
184.07333	0.6
201.03949	41.5
213.12390	1.8
219.05017	14.4
219.07018	1.0
228.45700	0.5
236.07739	1.7
255.16290	0.5
259.09570	0.6
283.12402	0.5
283.15353	2.7
287.05716	0.5
301.16531	1.0
319.08051	7.7
322.24075	0.7
345.08151	7.3
363.09140	3.6
454.21378	0.6
489.60248	0.6
498.20123	2.2
498.30939	0.7
499.12393	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20449	0.5
56.96570	0.5
68.42267	0.5
69.50449	3.7
69.50852	1.0
70.06573	0.5
73.02484	0.5
74.09723	4.5
80.85235	0.5
85.22378	0.5
94.93016	2.4
98.97532	0.6
103.34425	0.5
104.97354	0.5
110.07137	0.6
112.89593	1.8
114.56735	0.4
114.89304	1.2
118.08632	3.0
119.01959	0.9
123.05525	1.2
127.03886	0.8
130.06310	2.7
133.48747	0.5
136.94070	0.5
140.06853	0.8
141.04849	1.3
143.01952	0.5
145.03474	1.3
155.01945	0.8
156.04219	100.0
156.88513	0.7
157.03453	0.5
157.04649	0.6
161.02925	1.4
173.02942	1.5
174.04341	0.9
185.02951	1.8
191.05132	0.9
192.05377	1.4
197.03148	0.6
200.07643	0.6
200.12207	1.1
202.89105	1.6
212.85168	1.2
215.05067	1.5
216.05397	8.7
216.07326	0.9
217.02031	0.9
228.05493	1.0
232.88678	0.7
234.06473	1.8
244.11224	1.3
245.05022	3.3
246.06548	1.1
261.02811	0.6
263.06189	1.0
270.08939	0.6
275.06271	0.6
276.07404	1.4
284.84064	0.9
291.03677	0.6
300.86578	0.5
318.08759	0.6
336.09644	0.9
345.02740	5.2
346.02988	0.6
378.58301	0.5
384.00278	0.6
438.18118	1.6
484.86688	0.6
498.13525	2.4
499.14456	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.42
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.0
57.07073	22.1
65.03939	3.5
67.05501	70.0
69.07056	14.6
71.04983	6.8
71.08623	9.4
71.32140	3.3
79.05478	24.6
81.07053	100.0
81.48714	3.0
83.04977	2.8
83.08620	17.6
85.06550	7.6
85.10213	5.8
91.05483	16.2
93.07037	28.8
95.04991	3.2
95.08599	88.3
95.78500	2.3
97.06530	6.6
97.10155	11.9
99.08137	2.6
105.07038	10.2
107.08595	21.9
109.10148	45.7
111.08074	3.9
117.07044	6.3
119.08592	14.5
119.23818	2.4
121.10133	26.9
123.11694	13.6
131.08582	7.4
133.10126	9.8
135.11682	14.0
137.13251	5.9
145.10100	6.1
147.11696	9.4
149.09747	2.7
149.13245	4.3
159.11679	5.5
161.13226	11.7
163.11191	2.8
165.12779	4.2
169.52574	2.4
173.13287	5.1
175.14774	2.4
218.41109	2.4
243.21153	7.8
261.22076	15.4
265.48016	2.4
279.23187	28.5
286.97006	2.4
297.24390	3.5
333.27975	3.1
466.13467	2.5
497.35410	4.6
497.42020	96.1
498.42310	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	497.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05509	3.3
65.03964	1.2
67.05496	6.8
68.65706	1.1
69.03435	1.9
69.07059	4.6
69.55311	2.0
69.55727	5.8
73.37473	1.0
79.05496	8.1
80.91297	1.0
81.03429	1.6
81.07077	8.5
81.07489	1.8
83.04977	1.0
83.08624	1.8
85.02900	3.0
91.05481	14.3
91.56424	1.1
93.07050	12.9
94.91254	0.9
95.04936	3.2
95.08601	5.8
97.02879	2.7
97.06520	1.1
98.20759	2.2
99.08098	100.0
103.05457	3.9
105.07034	22.1
107.08601	51.5
109.06514	5.0
109.10160	5.5
111.04435	4.0
111.08069	1.8
111.69579	1.2
117.07061	1.2
119.04947	2.7
119.08585	21.7
121.06487	1.5
121.10150	13.8
123.08049	1.7
123.11691	2.2
125.06002	1.6
125.09621	3.9
127.03912	2.3
129.07054	1.4
129.19223	1.0
131.04942	12.7
131.08566	3.2
133.06485	2.5
133.10156	10.6
135.11713	1.7
137.05980	2.1
137.09630	1.4
139.07539	2.7
143.08580	2.4
145.02895	1.3
145.10152	5.0
147.04413	7.0
147.08057	2.2
147.11682	13.6
149.09641	3.7
149.13280	3.4
151.07552	2.2
151.11159	2.4
157.10143	4.1
159.11717	2.8
163.11232	2.1
165.09099	3.7
165.12741	3.7
171.11661	2.0
173.09615	1.2
173.13330	1.1
175.11208	6.1
177.05486	3.1
181.12253	2.7
181.45212	0.9
183.11765	1.2
185.04506	2.4
185.13368	1.8
191.10721	1.2
193.12254	19.5
203.10719	1.2
209.11739	6.2
211.13287	29.6
215.11008	1.3
249.14630	1.1
251.52995	1.0
299.20117	3.8
317.21185	15.1
497.19580	5.5
517.87018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82951	1.1
55.01863	1.3
55.05512	4.9
56.26151	1.0
67.05506	4.9
69.03442	5.0
69.07061	4.4
70.75102	2.9
71.04983	1.8
76.93135	1.0
79.05486	5.3
81.03417	3.0
81.07056	10.7
83.04974	2.6
85.02913	6.4
87.00805	1.3
91.05469	9.1
92.51096	1.0
93.07063	9.3
95.04971	2.8
95.08603	11.3
97.02905	3.5
97.06557	2.3
99.08091	29.1
105.07033	12.7
107.08600	17.9
109.02892	1.7
109.06511	2.5
109.10173	4.8
111.04451	4.6
111.08087	1.4
117.07047	1.3
119.04974	2.0
119.08585	25.5
121.06522	2.7
121.10137	9.6
123.08067	1.9
123.11700	2.2
125.06039	1.6
125.09633	100.0
127.03920	4.1
131.04884	1.3
131.08568	4.4
133.06502	1.4
133.10143	10.6
135.08005	2.3
135.11720	1.5
136.44450	1.0
137.06036	1.0
137.09590	1.4
137.13248	1.6
139.07593	1.3
143.08554	2.9
145.05029	1.1
145.10150	4.9
147.04434	2.9
147.11690	8.9
149.06129	1.1
149.09634	3.2
149.13348	1.3
151.07553	2.1
151.11189	1.8
157.10097	2.9
159.11699	5.4
161.13277	1.3
163.03947	1.4
165.09180	1.9
165.12782	2.0
169.10153	1.8
171.11682	1.8
172.50403	1.3
173.13329	2.0
175.11209	2.3
177.05540	1.5
183.11649	1.3
185.13277	1.5
187.11247	2.1
187.14851	1.4
193.12260	8.4
197.13289	1.5
201.16391	1.4
211.13271	12.7
211.15028	1.8
213.12845	1.7
215.14406	1.2
231.13734	1.7
233.15244	1.7
239.17876	1.2
243.13718	1.0
249.14633	1.8
253.19681	2.1
266.30731	1.1
281.19199	2.4
299.20023	9.5
317.21118	15.2
335.22165	8.0
393.19266	1.1
411.19812	1.9
453.20920	6.1
497.20868	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	497.2746
Annotation	Pierisformoside E
Peak:m/z	Relative Intensity
53.03941	4.4
54.17200	0.7
55.01863	4.8
55.05498	2.2
57.03437	3.7
61.02917	2.2
65.03918	1.0
67.05507	5.2
68.99782	2.5
69.03426	24.1
69.07061	3.8
70.72784	2.1
71.01347	1.7
71.04986	2.5
72.13891	0.7
73.02903	2.0
74.95537	0.6
79.05495	4.2
81.03418	21.3
81.07060	6.0
83.01327	1.8
83.04984	5.5
83.06068	1.4
85.02902	43.1
85.07659	11.9
87.00825	17.7
87.04459	0.8
89.03936	0.8
91.03944	0.9
91.05486	6.6
93.07049	5.9
95.01292	0.7
95.04973	6.1
95.08611	3.8
96.40649	0.8
97.02273	1.3
97.02888	18.3
97.06524	1.6
98.03217	0.7
99.04458	5.9
99.08091	30.8
101.02386	1.6
103.03933	4.5
103.05493	0.8
105.01862	15.1
105.07036	8.0
107.04923	2.0
107.08597	10.4
109.02879	26.1
109.06498	2.1
109.10151	0.8
110.03106	0.9
111.04424	5.0
111.08043	1.4
113.02369	1.0
117.03357	1.9
119.04948	2.9
119.08578	6.1
121.02879	0.9
121.06499	1.1
121.10126	6.3
123.04428	6.5
123.08028	1.1
123.11647	0.9
124.11129	0.6
125.02333	4.0
125.05963	1.3
125.09627	100.0
126.10013	1.1
127.03912	43.9
128.04294	1.9
129.01839	1.8
129.05490	1.1
130.22182	0.7
131.08582	1.0
133.06485	2.0
133.10088	4.2
135.04399	1.6
135.08107	1.1
137.02350	0.8
137.05994	5.2
137.13229	0.8
139.03922	2.0
139.07591	0.8
141.05473	1.6
144.08795	0.7
145.02856	4.7
145.04956	6.1
145.10158	0.9
147.02888	1.8
147.04416	9.5
147.08037	1.5
147.11679	5.5
149.06018	0.9
149.09605	1.8
149.13257	0.9
151.03905	7.0
151.07562	1.1
151.11198	1.1
153.05347	0.6
157.10086	1.0
159.02884	2.9
161.05994	1.3
163.03905	4.3
165.05447	2.4
165.09108	1.2
165.12741	2.5
169.04962	9.4
171.02901	3.9
175.03815	1.0
175.11194	2.4
177.05472	8.7
181.05026	1.1
181.12234	1.0
183.06482	0.7
187.06017	5.8
189.03928	11.9
189.05472	1.0
190.04240	0.8
193.05003	5.4
193.12248	8.6
205.04927	0.9
211.05969	1.8
211.13295	15.5
213.03937	4.2
217.04993	1.1
229.07140	1.0
231.02942	1.0
231.04996	7.0
235.06032	2.9
245.06306	0.8
248.76546	0.6
249.06123	0.8
253.07076	1.0
255.05038	2.9
273.03012	1.2
273.06036	24.0
274.06390	1.6
297.06274	1.2
315.07129	2.6
335.22174	9.7
339.07208	3.5
357.08109	1.9
433.16953	1.1
443.08075	1.8
461.09192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2743
Annotation	Pierisformoside D
Peak:m/z	Relative Intensity
53.03939	3.1
54.80322	1.4
55.01869	2.6
55.05505	8.3
65.03909	1.8
67.05499	11.7
69.03409	3.5
69.07069	7.1
70.06581	5.6
71.08624	1.7
71.59499	2.4
71.77473	1.8
78.58568	1.6
79.05502	10.5
81.03405	4.1
81.07046	15.1
81.43449	1.7
83.04969	5.0
83.08617	4.5
85.02908	9.9
85.06531	1.7
91.05479	28.1
93.07043	19.8
95.04948	6.1
95.07981	1.8
95.08597	33.7
95.20172	1.3
97.02881	8.0
97.06522	1.6
99.04468	1.5
99.08096	9.5
103.05447	1.6
105.07027	34.4
107.04938	2.2
107.08597	22.5
108.26497	1.3
109.02883	2.6
109.06493	5.1
109.10165	15.8
111.04429	11.7
111.08080	2.7
112.07592	5.2
115.05440	2.0
117.06995	8.5
119.08574	100.0
120.08907	2.1
121.06502	3.9
121.10115	10.4
123.08074	5.0
123.11667	4.2
125.05964	1.9
125.09633	1.8
127.03931	3.1
128.06189	1.4
129.06976	4.1
131.08516	9.7
132.09381	1.9
133.10120	26.7
135.08043	3.7
135.11697	6.5
137.05960	2.0
137.09581	1.9
137.13232	2.7
139.03885	5.5
139.07512	3.1
140.07033	2.9
141.07077	1.9
142.07735	2.6
143.08578	8.5
144.09309	1.6
145.05029	1.5
145.06441	1.9
145.10109	21.5
147.04422	2.4
147.08037	3.0
147.11690	19.1
149.06003	2.5
149.09686	1.9
149.13219	1.8
149.77309	1.5
151.07521	2.1
151.11116	2.1
153.09155	1.7
155.08537	4.9
157.04858	2.1
157.10114	10.0
159.08032	3.1
159.11685	19.5
161.13234	8.1
163.03889	2.8
163.11142	3.1
169.10132	6.9
170.10887	1.8
171.11705	9.2
173.09592	4.5
173.13219	7.7
175.11252	3.2
175.14790	1.6
177.05428	1.8
177.09149	3.0
181.12242	2.7
183.11678	8.0
185.09499	1.8
185.13252	6.0
187.11142	5.8
187.14842	2.8
189.12692	2.7
189.16370	3.5
191.10713	2.9
193.12286	3.3
195.11745	2.0
197.13264	12.9
199.11223	4.4
199.14813	5.2
201.16406	9.0
205.12286	5.3
211.11240	3.7
211.14775	3.7
213.12727	2.1
215.10712	3.7
217.05008	1.8
217.12279	5.8
219.13802	2.3
225.12830	3.3
229.12260	6.0
229.15692	1.7
231.13837	2.6
237.16301	1.8
239.14352	3.6
239.17966	6.2
243.13745	5.8
253.19519	11.4
257.15326	2.7
257.19003	2.5
263.18030	3.2
263.43115	1.7
271.20648	2.7
281.19031	7.3
285.06454	3.2
299.20038	70.6
300.20233	3.9
317.21091	98.6
318.21664	2.2
335.22098	20.5
453.10187	1.7
490.17816	1.6
497.26404	1.4
519.05896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	5.8
55.01890	6.5
55.05303	2.7
55.05516	29.8
57.03432	12.4
58.47385	2.6
60.84332	2.5
65.03936	8.5
67.05507	51.8
69.03430	36.4
69.07065	24.1
71.04993	22.5
71.38028	2.3
73.02922	3.5
79.05495	31.7
81.03421	61.5
81.07062	100.0
83.04984	19.6
83.08612	20.1
85.02904	28.9
85.06557	10.4
91.05486	42.7
93.03415	2.7
93.07043	40.4
95.04973	11.3
95.08607	99.1
97.02887	24.4
97.06548	20.9
97.10174	7.7
98.21475	8.2
98.97587	3.2
99.04479	8.9
99.08099	13.3
105.07032	42.1
106.47565	2.6
107.04948	4.7
107.08598	24.1
109.02882	32.7
109.06506	7.6
109.10156	17.9
111.04452	41.8
111.08086	10.1
115.03912	4.9
117.07014	8.4
119.08584	50.1
119.09376	5.1
121.06488	5.0
121.10126	15.0
123.08076	8.6
125.09647	5.6
126.84243	3.0
127.03919	47.2
129.07024	5.5
131.08560	8.8
133.05005	2.7
133.06540	8.7
133.10120	23.5
135.08040	7.3
135.11722	15.7
137.05969	3.2
137.09624	4.3
137.13268	8.4
139.03903	57.5
139.07497	3.6
143.08588	6.0
144.04175	3.3
145.04904	6.1
145.10098	7.5
147.08083	5.0
147.11668	4.4
149.09760	3.4
149.13286	5.1
151.07530	19.5
152.24687	2.6
157.10175	4.7
159.08096	3.8
159.11719	11.4
161.09610	3.8
161.13275	65.9
169.08516	3.7
171.08102	3.4
171.11659	5.1
173.11774	8.0
173.13324	7.2
175.14888	3.4
177.12825	4.1
179.14311	52.8
185.13248	4.0
189.09027	3.9
189.12813	3.1
191.14409	3.8
195.13765	6.3
197.13675	3.6
197.15352	15.1
201.12730	3.3
207.13800	6.6
209.15414	6.7
212.11720	2.7
218.01158	3.1
219.13911	5.0
221.15343	3.2
225.14842	9.5
228.92288	2.6
237.14890	14.0
239.16405	4.1
243.13777	2.8
245.15462	4.5
249.14839	3.4
259.16986	4.8
261.14819	2.9
263.16489	8.2
267.15820	2.6
269.15533	4.0
277.17966	8.0
287.16547	19.1
305.17499	43.3
307.43854	2.9
323.18536	85.9
341.19650	26.9
383.04785	5.8
497.26816	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	497.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62994	0.4
53.03942	2.5
55.01874	1.4
55.05510	3.2
57.03429	1.9
57.07062	2.6
59.97409	0.4
61.02913	1.1
64.15383	0.4
65.03934	1.0
67.05503	3.3
68.17073	0.3
68.99786	1.0
69.03423	8.1
69.07048	0.6
70.07722	1.3
71.04984	1.5
73.02914	1.9
73.52865	0.4
74.42162	0.3
75.85199	0.4
79.05483	1.0
81.03416	8.3
81.07058	1.1
83.04479	0.7
83.04977	14.9
85.02905	10.7
85.06538	100.0
86.06847	0.7
87.00832	4.8
91.03953	0.5
91.05475	3.7
93.07043	1.2
95.04967	0.8
95.08601	1.1
97.02885	4.4
97.06535	0.9
99.04454	2.5
99.08118	1.0
101.81083	0.4
105.01862	2.7
105.07027	1.4
107.04942	0.7
107.08588	1.2
109.02879	7.4
111.23785	0.4
116.06226	0.4
117.01849	1.2
117.06992	1.8
119.08572	19.1
119.39271	0.4
121.06499	0.8
121.10117	0.6
123.08085	2.3
127.03915	9.5
129.01779	0.7
129.07013	1.7
131.08580	1.0
133.10129	1.1
135.08041	4.3
143.08551	0.4
145.04951	2.7
145.10109	1.5
145.11177	0.4
147.08040	51.1
147.11694	1.2
148.08472	0.5
149.05959	0.4
149.09631	1.3
157.10071	0.4
159.02869	3.2
159.08105	0.7
161.09572	0.7
163.03891	1.3
163.11185	1.1
175.07544	2.5
175.14822	0.9
177.05521	0.7
177.09099	1.5
187.14825	0.6
196.05249	0.4
203.14291	1.7
205.15880	1.4
213.03882	0.6
213.12692	0.6
221.15346	1.2
231.05070	1.2
231.13799	12.1
233.15356	1.1
249.14850	2.2
457.01257	0.4
497.10434	0.5
497.19812	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	497.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66116	1.2
53.03935	3.6
55.01869	1.6
55.05499	2.3
57.07080	2.6
65.03935	1.5
65.24976	1.2
67.01868	3.5
67.05502	11.1
68.99776	1.6
69.03425	12.9
69.07071	3.1
69.60306	5.8
69.60732	4.4
71.04986	1.9
73.02930	2.0
79.05490	3.3
79.93744	1.3
81.03419	5.2
81.07045	9.8
83.04971	5.3
85.02906	10.1
85.06548	1.5
86.03233	1.5
86.09697	2.0
87.00847	1.8
91.05479	10.8
93.07042	8.8
95.04962	14.0
95.08609	5.7
97.02878	8.4
97.06525	1.5
98.97567	1.7
99.08111	1.7
105.01851	1.6
105.07034	5.9
107.08588	7.1
109.02876	7.3
109.06522	3.3
109.10149	5.2
111.04460	4.3
111.08064	3.9
115.05469	1.7
117.07005	2.2
119.04937	2.0
119.08580	20.6
121.06510	3.7
121.10155	5.9
123.08094	2.8
125.05991	1.6
125.09674	2.4
127.03914	7.0
129.06989	2.9
131.08601	4.1
133.06447	2.0
133.10153	3.9
135.04379	1.8
135.08058	6.4
135.11728	1.4
137.06026	3.2
137.09631	3.3
141.51805	1.1
141.60301	1.5
145.04973	4.4
145.10126	2.2
147.04385	2.4
147.08040	78.4
147.11667	2.1
149.09634	3.3
153.05383	1.3
157.10127	1.9
159.02879	2.0
159.11758	2.0
161.05975	1.8
161.09644	2.2
161.13232	2.9
163.03922	9.7
165.09163	1.5
171.11711	2.6
173.09631	2.2
175.07529	14.5
177.05397	1.5
184.07468	1.5
185.13242	1.9
186.12982	1.3
189.12711	6.5
203.12695	1.5
203.14368	5.9
213.12791	3.2
217.04959	2.1
231.13783	36.3
231.15875	2.6
249.05339	1.7
249.14851	100.0
250.15286	2.1
323.05469	2.7
335.00327	1.6
497.18842	2.7
497.28674	1.3
503.33102	1.7
510.56900	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01865	4.2
55.05507	2.6
57.03427	3.2
61.02909	3.1
67.05516	4.3
68.99786	3.2
69.03426	26.5
69.07059	3.4
70.37350	5.2
70.37770	3.7
71.01353	2.8
71.04997	3.6
73.02893	3.3
79.05486	5.4
80.50919	1.7
81.03416	23.1
81.07069	10.5
82.07400	3.0
83.01277	2.6
83.04970	4.9
85.02903	47.6
85.07681	15.4
87.00824	21.6
91.05465	8.5
93.07037	7.3
95.04951	5.7
95.08620	5.4
97.02895	20.7
99.04459	8.4
99.08092	25.3
101.02377	2.2
103.03951	5.5
105.01878	16.7
105.07021	6.4
107.08591	12.0
109.02879	29.8
109.06530	2.8
111.04434	5.9
113.82639	1.9
117.03371	4.2
119.04937	4.3
119.08585	7.1
121.10148	7.9
123.04430	5.6
125.02357	1.8
125.09623	100.0
127.03909	46.9
129.01854	3.6
133.06494	2.2
133.10130	4.4
137.06000	6.7
139.03870	2.0
145.02805	8.9
145.04959	7.8
145.98650	2.0
147.02849	1.4
147.03290	2.0
147.04390	16.2
147.11667	6.5
149.09644	2.8
151.03894	5.5
151.07536	2.8
159.02898	4.1
163.03903	4.5
164.04305	2.2
165.05470	3.9
169.04962	9.8
171.02859	3.2
177.05466	20.9
187.06056	5.8
189.03951	12.5
189.05431	2.6
193.04951	5.0
193.12215	6.4
198.21024	1.7
211.05962	3.3
211.13278	13.7
213.03981	7.7
231.04950	8.8
235.05946	2.9
255.05043	3.2
273.06067	28.7
309.94833	1.8
335.21970	9.8
357.08243	2.2
461.09024	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36085	2.3
56.96550	6.5
61.06969	2.2
69.03432	3.9
69.07062	3.4
70.06590	5.8
81.07044	3.6
84.04498	2.8
84.96037	3.8
85.02903	5.7
86.09706	14.8
91.05483	5.9
97.02888	4.6
98.20690	5.3
98.97575	10.6
105.07022	10.6
107.08564	3.6
110.97556	4.5
111.04472	2.4
115.05458	3.1
116.98635	14.5
119.04968	5.7
120.08069	3.2
121.10145	3.2
128.98613	6.9
131.00179	2.9
133.06503	6.0
134.99648	8.6
146.99637	7.3
147.04439	11.2
149.05966	2.5
150.05524	16.2
153.50211	2.4
158.01297	2.5
161.06001	20.2
165.00725	3.5
168.06581	3.3
170.99588	4.0
177.05455	7.4
193.06889	2.4
193.08646	12.1
209.90126	2.2
219.01785	12.2
221.05975	2.5
229.64403	2.8
237.02803	24.4
245.18687	5.0
252.03265	3.2
255.03932	2.8
260.04507	3.2
268.52936	2.7
270.04108	5.0
288.05054	3.7
295.06061	5.1
309.06436	3.9
323.05585	4.1
326.70697	2.4
327.07623	4.3
381.08401	5.0
393.08643	4.1
411.09494	10.5
429.10605	25.3
452.12427	4.1
453.11841	12.2
471.11835	3.6
497.10428	100.0
497.16281	7.9
497.22702	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	497.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.01874	5.1
55.05504	3.6
57.03429	7.4
59.04985	2.3
61.02927	5.6
65.03943	2.4
67.05502	8.9
68.99778	5.9
69.03432	47.4
69.73934	14.4
71.04989	5.2
73.02920	4.6
79.05463	2.5
81.03426	38.1
81.07053	13.5
83.01326	2.4
83.04976	7.7
84.08138	3.0
85.02908	88.2
86.09731	2.4
87.00838	33.5
91.05489	6.7
93.07025	4.6
95.04971	6.8
97.02902	35.1
99.04457	14.9
99.78710	2.2
100.11272	3.4
103.03939	6.1
105.01868	34.0
105.07024	4.3
107.08581	3.7
109.02885	53.4
111.04420	6.5
116.95429	2.8
119.08577	3.8
119.11782	2.6
123.04452	13.0
123.08057	2.4
125.02393	5.6
125.09660	3.2
127.03922	100.0
129.01794	5.8
133.10120	3.9
137.13263	5.0
138.13593	3.4
139.03918	5.1
145.04948	13.6
147.04430	5.2
147.11653	2.4
149.51575	2.2
151.03935	13.0
151.07458	2.2
153.12784	4.7
159.02893	6.9
165.05450	3.2
169.04974	15.4
171.02910	3.1
177.05499	2.8
181.05026	2.5
187.06032	11.3
189.03993	16.7
193.04959	9.7
213.03984	9.1
217.04933	2.5
231.05077	17.8
235.06049	3.4
249.05798	3.0
253.07193	3.0
255.05003	4.3
273.06088	48.1
295.06110	2.6
315.07339	3.1
323.05618	3.3
339.07080	5.4
350.65573	2.8
394.98279	2.4
443.08063	4.4
461.09280	5.6
479.10056	2.6
497.10565	3.2
497.19501	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	497.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21751	0.9
69.62389	6.5
77.11709	0.8
98.20786	1.6
121.13712	0.9
147.04398	2.7
155.89719	0.9
161.02873	1.0
212.85143	0.8
226.47600	0.7
239.43884	0.9
245.05069	1.0
314.26144	0.9
453.11325	2.9
467.66745	0.8
497.10489	100.0
498.10938	1.8
524.95905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61016	0.8
53.03936	1.7
55.01871	2.7
55.05507	5.5
56.05035	2.4
56.85407	0.8
56.96553	1.0
57.03445	1.7
57.07047	1.1
60.04528	50.8
61.02905	0.9
65.03940	1.4
67.05505	22.0
67.05871	1.2
69.03434	4.4
69.07070	9.3
69.34803	9.4
70.06579	5.6
71.04997	19.3
72.04523	1.5
72.08157	1.2
73.02892	0.9
74.06079	2.3
79.05495	12.4
80.05009	1.6
81.03422	11.8
81.07056	24.6
83.04968	2.0
83.08604	2.0
84.04551	1.5
85.02898	7.6
85.06544	10.4
86.06062	1.8
86.09709	1.8
90.05534	1.4
91.05489	9.0
93.07042	17.5
94.06576	4.6
95.04948	6.4
95.08612	28.0
96.08169	1.5
97.02889	3.5
97.06527	8.0
97.10193	1.5
98.06045	3.1
98.97599	1.4
99.04423	1.4
99.08085	5.6
103.05479	0.8
105.07033	9.8
107.07404	0.9
107.08595	5.6
109.02879	1.0
109.06517	2.0
109.10151	10.5
110.09708	2.8
111.08076	5.5
112.07659	1.0
112.11221	1.3
119.08589	3.4
120.08059	1.3
121.10139	9.9
121.48320	0.9
122.09667	9.4
123.08067	24.3
123.11706	3.1
127.03925	2.5
127.11193	1.6
128.10718	10.8
131.08578	2.1
133.10158	3.5
135.08119	1.4
135.11684	5.6
137.05991	1.2
137.09647	1.5
138.09207	1.2
140.10707	67.8
141.09105	9.4
145.02849	1.6
145.04924	1.6
145.10088	1.2
147.11714	3.2
149.09659	1.1
158.11778	12.4
161.13312	2.1
167.10651	1.8
173.11595	1.0
175.14882	1.1
176.12827	10.5
177.05481	3.7
194.13914	2.0
194.24153	1.1
203.14328	1.6
203.18011	3.3
213.28680	1.0
221.19052	1.5
231.13794	1.4
231.17572	1.3
239.20064	2.5
263.16434	1.5
266.21173	1.5
281.17380	5.5
284.22247	1.8
308.22348	1.5
333.07840	1.1
388.28488	1.3
406.29498	6.1
424.30618	45.8
442.31671	100.0
443.31851	3.1
452.19675	1.8
453.20972	1.0
460.32715	65.7
461.32477	2.4
478.33734	25.3
496.18744	11.7
496.34537	5.6
497.20367	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	496.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01870	2.9
55.05513	10.8
56.05026	3.5
57.03444	4.7
57.61047	0.9
59.05014	1.3
60.04528	67.9
65.03928	1.4
67.05508	33.8
69.03427	11.3
69.07071	13.1
69.90593	5.3
70.02974	1.3
70.06600	5.2
71.04997	14.1
72.04537	1.7
72.08136	1.4
73.02958	1.0
73.06564	0.9
74.06078	3.2
74.09690	0.8
75.04478	1.1
77.03931	1.1
79.05058	1.5
79.05499	22.0
80.05032	2.4
81.03424	19.4
81.07059	37.6
82.06580	2.2
83.04984	2.7
83.08628	5.4
85.02916	11.7
85.06547	9.8
86.06086	2.2
87.04461	6.0
90.05563	1.1
91.05488	12.9
93.07050	57.7
94.06570	7.3
95.04973	14.3
95.08608	56.1
96.04516	1.3
96.08126	2.4
97.02898	11.2
97.05246	1.0
97.06532	10.7
97.10152	2.0
98.06055	3.7
98.09708	3.2
98.97568	1.6
99.04461	1.5
99.08112	5.6
100.11265	1.2
103.05492	1.7
105.07038	13.8
107.07383	1.7
107.08598	10.1
107.13939	0.9
109.02900	1.6
109.06517	1.9
109.10159	24.3
109.86977	1.0
110.09677	3.9
110.10397	0.9
111.04440	0.9
111.08084	11.0
112.07632	1.5
112.11256	2.9
113.06010	4.5
113.09621	1.4
115.03941	11.6
117.03371	1.3
117.47349	1.2
119.04939	2.7
119.08586	3.2
121.06528	1.0
121.10150	23.6
122.09673	14.9
123.08071	34.9
123.11671	2.6
125.09641	1.7
127.03936	2.1
127.11206	1.2
128.10732	17.3
131.04834	1.2
131.08604	2.1
133.04994	7.2
133.10133	4.2
135.08051	1.4
135.11702	3.9
137.09644	4.5
138.09145	1.5
139.11217	1.7
140.10709	100.0
141.09122	13.2
145.02861	3.7
145.04968	1.3
145.10132	1.5
146.99420	1.1
147.04411	8.3
147.11696	2.2
149.09624	18.9
151.11176	1.4
152.10754	1.1
153.09077	1.1
155.10693	9.9
158.11775	19.0
158.99629	1.5
159.10194	1.8
159.11647	1.2
161.13228	1.4
166.08685	2.0
167.10693	18.6
172.22234	1.0
173.11719	2.2
176.12837	16.6
177.05481	7.3
185.11722	4.6
194.13829	2.4
203.17981	3.0
221.19063	1.8
239.20053	9.3
266.21072	1.7
284.22202	4.8
289.05295	2.7
290.21207	1.5
299.13965	2.3
302.23370	2.4
308.22153	3.5
326.23218	4.9
346.22415	1.9
394.29657	2.0
406.29453	3.9
411.19830	3.8
424.30585	21.7
442.31656	79.1
443.32022	2.2
453.20975	10.0
460.32718	79.1
461.33017	2.9
478.33765	77.7
479.18765	2.0
479.33472	1.5
496.18628	2.9
496.34818	13.1
497.19955	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46804	0.1
55.05527	0.1
56.05037	0.3
56.96565	0.4
57.03438	0.3
57.07082	0.7
58.06354	0.2
58.06634	0.5
60.08164	4.7
67.05513	0.3
69.07043	0.2
71.07372	1.9
71.08630	0.4
71.15040	0.2
71.15359	0.2
72.25222	0.1
81.07038	0.1
85.10176	0.3
86.09706	22.8
87.10016	0.2
92.84176	0.1
95.08601	0.2
97.10133	0.1
98.98463	1.8
104.10748	2.9
119.78558	0.1
125.00006	15.0
143.01060	0.3
166.02661	0.3
175.02821	0.4
184.07343	100.0
185.07671	0.7
193.03853	0.3
258.10944	0.2
313.27319	0.4
351.45264	0.1
418.45764	0.1
429.27258	0.1
455.20984	0.2
458.70685	0.1
473.21951	0.4
478.33035	1.2
496.34024	3.5
497.34277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3397
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05508	0.3
56.05032	1.0
57.03430	0.7
57.07076	2.7
58.06342	0.4
58.06604	1.0
58.74303	0.3
59.07374	0.4
60.08163	13.4
67.05500	0.5
69.07056	0.4
70.06624	0.3
70.78948	0.4
70.79288	0.4
71.07377	3.5
71.08627	1.7
81.07063	0.6
83.08613	0.5
85.10169	1.1
86.09705	40.0
87.10011	0.3
90.88672	0.3
95.08618	0.8
97.10174	0.6
98.98479	1.5
104.10744	91.6
104.42238	0.3
105.11079	0.7
106.41101	0.3
109.10182	0.7
109.90363	0.3
125.00002	19.8
140.75797	0.2
163.01573	0.9
181.02504	0.4
184.07336	100.0
185.07695	0.9
258.11017	0.9
313.27460	2.6
419.25455	0.3
478.32971	6.4
496.33975	29.8
497.34357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31710	0.8
53.03948	2.9
55.01871	2.9
55.05510	2.3
57.03441	3.9
57.07074	1.4
61.02935	9.8
64.90323	0.9
67.05176	0.8
67.05505	4.0
69.03432	15.4
69.07076	8.8
69.27328	0.8
69.51931	7.4
70.80293	0.7
71.04995	2.2
73.02929	4.1
78.65967	0.8
79.05495	3.8
80.98460	0.9
81.03429	7.4
81.07065	39.1
83.01330	0.9
83.08624	1.6
85.02913	100.0
85.06543	1.3
87.04488	1.8
91.03967	6.0
91.05489	1.6
93.07049	3.4
95.08614	16.7
96.38263	0.8
97.02901	27.5
97.10179	0.9
99.04460	3.8
105.07047	2.3
105.68405	0.8
107.08607	2.2
109.02878	9.3
109.06552	1.1
109.10197	4.2
111.11727	14.8
111.12437	1.5
115.03974	1.7
117.07034	1.0
119.08587	1.4
120.08099	0.8
121.10210	1.2
125.09653	1.1
127.03925	25.6
129.06987	0.9
131.08594	1.6
133.10156	1.5
135.11702	2.4
137.13269	19.2
138.26553	0.8
141.72740	0.8
145.04971	46.9
145.10109	1.5
147.04477	1.3
147.08037	0.9
147.11742	1.1
151.07553	1.1
153.12714	2.1
155.14320	9.8
161.13260	1.1
163.06030	20.2
163.37729	0.8
164.11481	0.9
166.09511	1.0
167.08690	1.0
169.91093	0.8
179.14391	1.4
199.96490	0.9
213.14917	1.9
225.11267	1.1
226.11505	0.9
263.16498	1.8
281.17468	1.1
289.09024	0.9
325.11221	2.7
497.20032	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
55.01877	5.8
55.05513	22.3
55.35167	1.9
57.03436	15.0
61.02927	3.0
62.65950	2.1
67.05508	39.1
67.37301	1.7
67.60054	1.8
69.03425	9.0
69.07073	18.9
71.04994	7.9
71.59901	2.2
73.02919	3.2
79.05497	39.9
79.05884	1.5
81.03422	79.1
81.07059	46.3
83.04981	18.6
83.08633	26.1
85.02909	42.8
85.06541	4.5
91.05484	49.9
93.07053	32.5
95.04977	38.3
95.08601	24.4
97.02901	10.3
97.06527	15.0
97.10177	8.0
105.07038	38.8
107.04982	11.4
107.08615	19.0
109.02851	2.8
109.06515	8.4
109.10183	8.6
111.04469	5.8
111.08090	13.8
113.06017	3.1
115.05494	3.9
117.07046	7.3
119.08591	33.7
121.06508	5.1
121.10141	15.9
123.08099	5.1
123.11742	5.2
125.09615	4.1
129.05576	2.2
129.07014	20.9
131.04965	2.4
131.08578	21.0
133.06541	6.5
133.10144	21.0
135.08060	4.4
135.11719	5.5
137.06001	4.2
137.09636	3.5
137.13255	2.2
142.07820	2.5
143.08578	7.0
145.06465	3.4
145.10146	11.5
147.08090	6.9
147.11694	21.0
149.09619	10.1
149.13393	2.8
153.01875	10.1
155.08484	2.7
157.10144	22.2
159.08157	2.7
159.11716	6.1
161.09714	3.7
161.13336	2.4
165.12819	3.3
169.10234	3.1
171.11691	3.3
173.13269	3.0
175.11191	19.4
179.10646	3.1
181.09964	2.1
193.12242	65.9
199.14908	2.5
211.13280	83.2
211.15202	4.9
267.15970	14.9
283.20630	2.5
285.17044	5.8
333.24213	3.8
337.56439	2.1
349.21707	2.5
367.22653	3.8
385.23834	3.9
441.26498	5.9
451.13901	3.0
459.27533	13.1
477.28418	16.2
481.00635	2.4
495.29651	100.0
496.30084	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	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.3
54.02547	3.7
54.20152	3.1
55.01876	8.4
55.05510	40.8
57.03440	44.1
57.07073	4.9
61.02932	58.6
65.03933	6.6
67.05505	74.1
69.03428	40.6
69.07069	33.5
69.82681	16.8
71.01360	8.6
71.05007	10.4
71.08609	3.9
73.02601	3.7
73.02928	35.2
79.05494	85.7
81.03426	34.7
81.07059	84.6
81.59699	3.4
83.04986	15.0
83.08628	18.5
85.02908	70.0
85.06554	3.9
87.04488	7.5
91.03967	34.9
91.05486	82.7
93.07042	100.0
95.04965	28.3
95.08611	67.1
97.02888	57.0
97.06528	25.4
97.10185	8.4
98.21538	4.8
99.04473	14.4
101.02377	7.9
103.03959	8.1
103.05486	5.1
105.07034	86.9
107.04972	13.7
107.08596	56.4
109.02899	6.8
109.06535	11.8
109.10152	25.4
111.04420	8.3
111.08082	4.0
115.03944	5.5
115.05454	6.2
117.05527	4.5
117.07028	44.3
119.08582	55.7
121.06528	10.7
121.10148	42.8
123.04457	5.5
123.08060	6.8
123.11684	6.7
125.05984	5.8
125.09666	7.8
127.03935	23.8
128.06244	8.6
129.05475	12.3
129.07010	31.9
130.07861	4.6
131.08577	65.9
133.06497	8.6
133.10121	59.1
135.08075	11.5
135.11697	33.7
137.09634	6.6
141.07001	11.0
142.07776	4.4
143.08595	38.9
145.04924	6.6
145.06487	6.8
145.10117	64.2
147.08072	15.1
147.11667	37.8
149.09668	9.1
149.13283	13.5
153.01840	16.2
155.08595	17.9
156.09344	4.5
157.06488	5.8
157.10124	33.5
159.08150	8.2
159.11705	45.8
161.09634	11.9
161.13211	19.0
163.11220	8.2
163.14867	8.2
165.09174	7.7
167.08577	5.8
169.10190	14.9
171.07944	7.5
171.11687	35.8
173.09660	11.4
173.13266	30.3
175.11171	9.7
175.14833	7.0
177.12814	5.4
179.08636	5.7
181.10149	10.6
183.06573	4.8
183.08144	5.9
183.11696	19.1
185.09618	5.7
185.13261	17.3
187.07639	4.4
187.11165	7.9
187.14865	11.0
189.09146	6.0
195.11736	8.6
197.13348	10.4
199.11240	5.0
199.14891	13.8
201.12848	7.4
209.13326	6.8
211.11198	5.6
211.14925	8.4
213.12769	8.3
213.16241	4.4
219.13928	4.6
223.14810	5.1
225.12794	4.3
239.17969	4.3
241.19623	14.2
257.19052	8.5
259.20544	24.8
271.20651	8.2
273.22061	6.4
275.20050	9.7
277.21741	11.0
277.96640	4.3
285.22095	5.5
287.20038	4.1
289.21609	6.0
295.20660	4.7
299.20090	5.0
301.21762	12.0
311.19904	3.8
313.21716	6.8
315.19687	6.5
315.23187	6.7
325.21597	10.4
331.22693	8.3
333.20459	5.9
333.24255	57.9
339.23178	8.9
343.22726	5.2
345.24002	5.5
349.21420	18.3
355.22626	3.8
357.24127	4.0
361.23773	8.6
363.25284	7.9
367.22684	21.7
375.25189	17.0
385.23721	15.5
387.25293	7.1
399.25458	4.9
403.24722	10.6
417.26230	10.8
421.26401	4.5
429.26401	13.4
441.26477	48.4
459.27402	39.2
477.28644	47.8
495.29767	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01870	2.1
55.05515	16.0
57.03179	1.3
57.03436	12.6
65.03950	2.1
67.05508	27.8
69.03438	6.5
69.07083	8.1
69.47504	8.8
71.04990	7.1
73.00401	0.9
79.05497	26.3
81.03422	72.8
81.07059	32.5
83.04987	15.3
83.08622	25.5
85.02908	37.7
85.06535	3.5
87.04460	1.1
91.05483	36.5
93.07056	22.1
95.04976	31.2
95.05457	0.7
95.08603	13.9
97.02906	5.6
97.06516	5.7
97.10173	4.3
98.20685	1.9
99.04478	1.5
103.05484	1.8
105.07036	32.8
107.04961	7.7
107.08595	11.5
109.02910	2.2
109.06530	5.8
109.10162	5.9
111.04449	5.1
111.08080	11.9
113.06026	2.4
115.05459	2.7
115.06268	0.9
117.07021	3.8
117.51122	0.9
119.05004	1.0
119.08584	25.9
121.06504	3.3
121.10146	11.3
123.04465	1.4
123.08078	3.9
123.11746	3.0
125.09654	4.3
127.03913	2.7
128.06183	1.4
129.07016	12.9
131.04962	0.9
131.08575	17.2
133.06503	4.0
133.10127	14.8
135.08070	1.3
135.11642	1.4
137.06013	1.5
137.09625	2.0
142.07774	4.3
143.08632	1.6
145.06467	1.8
145.10147	2.2
147.08049	5.7
147.11697	17.8
149.09644	8.5
155.08583	1.0
157.10150	17.1
159.08037	1.3
161.09698	1.3
163.11150	1.2
165.09151	2.1
165.12746	4.4
171.11664	1.0
175.11198	18.5
179.10701	1.5
181.28044	1.0
183.11627	1.0
191.07068	1.2
193.12257	61.5
207.10211	1.5
207.69344	1.0
209.08060	1.5
211.13300	83.2
212.13580	1.2
225.11255	1.7
226.11533	1.8
227.12100	1.1
229.14380	1.1
239.41805	1.1
267.15839	11.2
285.16949	4.9
341.21191	1.1
359.22308	1.2
367.22784	1.5
391.22830	7.1
403.24619	1.1
409.23892	3.3
421.26422	1.0
451.26544	1.3
459.27640	4.1
477.28729	9.0
495.29608	100.0
496.30222	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.4
55.01863	17.5
55.05504	29.4
56.96568	8.6
57.03443	38.2
57.88881	5.3
61.02927	55.7
65.67178	6.3
67.05507	88.2
67.92583	6.0
69.03429	56.3
69.07072	32.6
69.96352	32.9
70.94434	5.3
71.04985	14.2
73.02931	31.8
74.23637	5.5
79.05498	90.2
81.03423	51.3
81.07056	80.3
83.04976	13.3
83.08604	18.4
85.02905	81.2
85.06520	8.2
87.24654	6.1
91.03958	33.7
91.04959	9.0
91.05485	92.0
93.07030	86.4
95.04978	30.6
95.08608	68.6
97.02898	55.5
97.06534	48.2
97.10177	6.0
99.04454	13.5
101.02357	13.4
103.03944	7.3
103.47728	6.0
105.07024	96.5
107.04954	7.4
107.08605	67.3
109.02870	13.7
109.06494	12.7
109.10171	30.0
111.08073	9.3
117.07040	41.8
119.08574	77.8
121.06493	11.3
121.10154	44.9
123.08093	8.2
123.11668	11.2
127.03915	22.8
128.06313	7.5
129.05502	6.6
129.07013	30.9
131.08562	56.3
131.30759	7.6
133.06403	8.2
133.10129	47.6
135.07980	5.7
135.11676	27.1
141.07010	9.4
142.07736	6.6
143.08542	25.6
145.04950	12.0
145.06514	14.5
145.09233	6.2
145.10141	50.2
147.08102	8.8
147.11745	38.1
149.07822	6.0
149.09624	12.6
149.13246	20.8
151.11127	10.3
153.01836	48.6
155.08478	14.9
157.10115	27.2
159.08075	11.3
159.11687	28.6
161.13254	26.9
163.11177	10.9
163.14674	6.8
169.10110	19.2
171.11690	27.2
173.09657	8.5
173.13254	24.2
175.11082	11.5
175.14838	10.5
177.12689	6.4
181.10091	10.4
183.11673	14.3
185.09662	7.1
185.13261	14.9
186.24535	6.9
187.11230	6.7
187.14850	12.7
193.12321	6.6
195.11726	8.4
197.13284	11.2
199.11378	9.8
199.14842	10.6
211.13220	11.2
213.12796	6.2
219.13908	6.9
240.44449	7.0
241.19595	13.8
251.87077	6.8
257.18927	8.5
259.20529	34.3
267.15829	9.4
285.09976	8.5
285.22089	9.8
295.20636	7.1
301.21576	25.5
313.21539	11.4
315.23096	8.7
325.21585	8.6
333.24246	59.8
343.22372	6.9
349.16803	8.6
349.21231	11.2
363.25018	10.7
367.22699	20.0
375.25311	13.4
385.23642	14.8
387.25488	9.1
403.24701	13.4
417.26401	9.6
423.25293	8.0
429.26492	11.0
441.26321	43.0
451.14236	14.6
459.27231	33.1
477.14978	16.5
477.28397	48.2
495.17514	11.8
495.29642	100.0
496.16733	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	495.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.6
55.01855	0.8
55.05503	1.6
59.05001	38.8
64.30331	0.7
65.03943	0.6
67.05499	3.2
69.03432	1.4
69.07063	6.1
70.98992	1.2
70.99353	1.3
71.05005	3.4
73.15112	0.7
73.15704	0.8
79.05473	3.1
81.03417	0.9
81.07053	5.2
83.04964	0.8
83.06087	1.3
83.08591	1.5
85.02895	2.3
85.06518	1.4
91.05475	7.2
93.07042	3.5
95.08611	3.4
97.02885	1.0
97.06490	0.7
97.10141	0.7
103.05440	0.8
105.07026	24.9
107.08574	3.4
109.06508	1.7
109.10157	2.5
111.04443	6.0
117.06999	2.1
119.08580	6.6
121.10156	1.5
123.11674	1.3
127.03878	1.6
128.06172	1.3
129.07010	3.2
131.08569	14.9
133.10129	2.4
135.08055	7.3
135.11678	1.9
137.13287	0.7
141.06993	3.1
142.07797	2.6
143.08551	8.1
145.10121	8.6
147.08076	1.3
147.11745	0.9
149.09592	1.4
155.08554	17.2
156.09285	1.8
157.10115	18.0
159.11693	23.0
161.13286	2.2
163.03923	3.3
163.14804	0.9
165.06996	1.3
165.09195	1.0
167.08553	2.2
168.09352	1.0
169.10115	6.5
171.08020	0.8
171.11700	15.6
173.13245	4.6
175.14827	1.8
179.08594	2.8
180.09338	1.0
181.04962	1.1
181.10143	8.9
182.10927	1.2
183.08028	1.6
183.11687	5.7
185.09695	1.9
185.13232	6.8
187.11337	0.7
187.14777	1.0
193.10179	3.3
195.11682	8.3
196.12486	1.2
197.09662	1.8
197.13252	3.9
199.11150	1.3
199.14830	1.1
203.14307	1.5
205.10162	1.1
205.15837	2.5
207.11603	1.5
208.12477	0.9
209.09593	1.3
209.13332	6.5
211.11185	2.3
211.14821	17.6
211.20493	5.8
213.13084	0.8
213.16371	19.7
217.12212	0.7
219.11710	1.1
220.12555	0.9
221.13264	2.6
222.14049	0.9
223.11197	1.4
223.14790	1.1
225.12689	1.0
225.16339	1.0
227.17906	7.3
229.21477	1.2
231.11717	0.8
233.01012	0.8
235.14853	4.6
237.12769	0.8
237.16371	18.7
239.14262	3.7
251.18022	4.1
253.15836	3.3
255.17416	37.2
257.15338	8.2
261.16455	4.1
269.19034	1.1
273.18399	7.5
279.17462	10.9
287.05374	1.2
297.18509	16.4
315.19550	100.0
316.19833	2.0
477.40680	0.7
510.36771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91032	1.8
55.05508	3.2
62.89300	1.8
67.05502	26.1
69.03424	5.8
69.07059	4.3
69.36259	15.0
79.05504	6.6
81.07066	13.3
83.04961	2.2
85.06512	1.7
91.05485	10.1
93.07038	14.9
95.04972	2.4
95.08608	22.5
97.02894	10.7
97.06535	6.9
98.52688	1.7
105.07033	21.9
107.04946	2.7
107.08586	18.5
109.06509	6.8
109.10159	100.0
111.04447	6.2
111.08072	4.1
113.06030	2.1
117.07047	3.8
119.08577	36.0
121.06512	5.3
121.10141	10.5
123.08085	5.2
123.11718	4.8
127.03957	2.3
129.06995	3.0
131.08606	3.5
133.06494	17.4
133.10123	26.3
135.08067	4.0
135.11690	3.3
137.05965	3.6
137.09642	4.5
137.13258	2.0
143.08571	4.7
145.10141	4.7
147.08026	11.4
147.11737	3.6
149.09599	2.4
154.07791	2.0
157.10197	4.1
159.08096	2.0
159.11700	7.3
161.09598	14.8
161.13246	2.8
163.07550	4.0
163.11198	4.6
165.09122	19.2
169.10075	2.1
171.11668	2.7
173.13281	2.6
175.11234	1.8
175.14790	2.0
179.10706	12.0
187.11212	4.6
189.09091	13.2
191.10686	2.3
199.11206	3.5
201.12802	2.4
207.10158	14.6
211.11067	2.5
219.13742	3.8
225.11206	53.1
227.17978	2.4
251.18315	1.8
255.17432	4.1
269.18900	3.7
279.17526	2.6
287.16498	2.5
287.20035	3.8
297.18463	12.1
315.19513	26.3
333.20612	10.4
370.52072	1.7
395.77283	2.0
496.48648	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65062	3.1
53.03939	4.6
55.01851	3.2
55.05503	7.0
63.32533	3.0
63.78081	3.2
67.05521	28.5
69.03429	10.6
69.07057	10.6
71.05002	4.5
71.59444	3.2
73.06526	2.9
76.23283	3.1
79.05482	10.6
81.03409	7.5
81.07050	28.2
85.02902	6.1
91.05468	14.1
93.07045	18.3
95.04940	6.4
95.08608	36.4
97.02911	17.1
97.03440	3.0
97.06548	23.2
99.04477	5.9
99.08096	3.8
100.54272	3.1
105.07034	31.3
107.08601	29.4
109.06509	10.1
109.10159	100.0
110.10652	2.9
111.04432	11.8
117.07009	3.4
119.08593	45.4
120.97974	2.8
121.06461	5.6
121.10157	19.2
123.08073	8.2
123.11696	13.6
125.09628	6.5
128.06212	3.5
129.07005	6.6
131.08575	8.3
133.06555	17.1
133.10136	24.9
135.08046	8.3
135.11665	11.1
137.06015	4.3
137.09621	5.2
137.13248	3.5
143.08562	9.8
145.10124	11.6
147.08041	11.9
147.11691	6.3
149.09615	5.7
153.19238	3.1
157.10155	10.7
159.11658	9.6
161.09692	17.4
163.11130	4.5
165.09119	19.3
171.11771	6.0
173.13260	5.9
175.14951	4.3
177.12782	4.2
179.10664	9.7
185.09634	4.8
185.13293	6.1
187.11218	6.2
189.09103	12.0
191.10742	3.9
197.13176	3.3
199.11089	5.2
199.14755	3.3
201.12715	8.7
207.10231	20.7
211.16859	10.3
212.17268	6.3
213.12697	3.9
219.13789	10.0
225.11211	61.8
226.11549	5.8
255.17439	2.9
269.19034	5.1
287.20261	4.1
297.18518	17.8
315.19559	43.8
333.20532	13.2
459.31830	4.0
495.16733	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	495.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
55.05517	2.6
57.03422	1.6
59.05003	45.1
66.15002	1.7
67.05494	6.0
69.03427	3.5
69.07066	7.0
70.74492	2.7
70.74828	2.8
71.04986	1.7
79.05491	4.8
81.03428	3.0
81.07052	8.6
83.04975	2.3
85.02915	4.8
91.05492	13.5
93.07045	6.6
95.04329	1.6
95.04980	3.7
95.08593	5.1
95.43845	1.7
97.02895	3.9
97.06519	2.5
105.07035	29.6
107.04910	2.6
107.08603	6.9
109.02859	3.5
109.06520	6.2
109.10171	3.8
111.04425	8.3
117.07014	6.1
119.08584	11.3
121.10135	3.3
123.08064	1.8
125.09643	4.6
127.03920	4.6
128.81029	1.9
129.05486	2.1
129.07007	2.9
131.08566	18.3
133.10133	5.2
135.08090	7.8
135.11665	2.7
137.05945	2.5
141.06987	3.8
142.07780	3.9
143.08568	12.9
144.09369	2.1
145.10088	10.9
147.08017	3.7
155.08551	22.1
156.09360	2.9
157.10147	24.7
159.11690	25.7
161.13371	2.8
164.44550	1.6
165.07060	3.0
165.09122	3.3
167.08517	3.8
169.10179	8.9
170.84792	2.0
171.08122	1.8
171.11729	18.4
171.70699	1.7
173.13248	2.9
175.14880	2.2
179.08632	3.3
179.10648	2.1
180.09299	2.1
181.10091	9.9
183.11687	6.9
185.09593	4.0
185.13251	7.4
187.11232	2.2
193.10144	3.4
195.11664	9.1
196.12471	3.0
197.09604	3.0
197.13303	4.2
199.14819	3.5
205.15794	2.5
209.13318	8.7
211.11201	2.4
211.14825	24.5
213.09068	1.8
213.16397	24.3
220.12566	1.6
221.08070	2.4
221.13246	5.2
223.11217	3.1
225.11253	5.3
226.11598	2.2
227.11847	2.5
227.17929	9.8
235.14938	4.0
237.12781	2.2
237.16394	16.8
239.14340	2.8
251.17863	4.2
253.16014	2.7
255.17461	36.4
257.15408	9.5
261.16391	5.9
263.09161	4.1
273.18527	7.9
279.17502	11.7
280.77023	1.7
297.18515	17.8
305.10437	2.1
315.19559	100.0
444.78979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.4
55.05498	15.5
66.39042	9.1
67.05495	41.6
69.03418	10.2
69.07059	18.6
69.26199	10.2
69.26509	100.0
74.26201	9.1
75.81733	8.0
79.05495	31.1
81.03406	22.4
81.07050	41.6
83.04975	12.4
83.08624	9.7
85.02897	12.3
91.05490	30.4
93.07030	50.5
95.04970	23.4
95.08588	37.4
95.65289	8.6
97.02891	16.4
97.06525	9.2
105.07045	40.2
107.08581	31.4
109.02885	21.0
109.06554	10.8
109.10155	29.9
111.04417	25.5
117.07053	14.9
119.08580	45.4
120.08921	13.4
121.10131	18.8
127.01967	7.8
127.03909	37.6
129.07001	16.9
131.08531	14.8
133.10104	34.9
133.59866	8.3
134.10387	8.1
135.08023	17.1
143.08548	12.0
145.10097	16.8
147.08055	12.3
157.10080	11.5
159.11761	8.8
161.09595	14.6
163.11250	13.0
165.09106	18.7
171.11702	12.1
179.10689	10.5
189.09113	14.8
199.11220	11.2
207.10114	18.7
217.12280	9.6
219.14084	9.9
225.11235	38.9
226.11603	16.7
277.22177	8.2
294.47159	7.9
315.19611	19.4
316.19940	10.5
333.20413	9.5
477.28009	16.3
495.29044	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	495.2586
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
50.97036	3.0
51.20646	2.9
55.05505	8.0
67.05500	33.5
68.11533	3.1
69.03429	14.6
69.07048	10.5
71.04972	2.9
71.59485	2.9
79.05489	12.8
81.03395	12.5
81.07054	27.9
83.04983	7.6
83.66433	3.0
84.83331	3.4
85.02888	7.3
86.09625	4.2
91.05471	19.9
93.07025	25.7
93.49593	2.7
95.04945	5.7
95.08611	35.3
97.02892	15.4
97.06530	16.0
97.10149	4.3
99.04467	3.0
105.07030	30.4
106.20541	2.9
107.04962	7.3
107.08594	30.8
109.02839	7.5
109.06503	11.9
109.10153	100.0
111.04407	12.7
111.08072	4.3
115.25511	3.0
117.03376	3.6
117.06968	6.9
119.04920	2.9
119.08578	37.9
121.06530	7.6
121.10122	20.9
123.08064	7.9
123.11729	8.5
125.05977	3.5
125.09615	5.0
127.03914	11.3
131.08540	9.2
133.06442	15.0
133.10124	26.4
135.04390	3.2
135.08066	8.8
135.11681	7.1
137.05945	4.6
137.09598	8.9
137.13217	3.5
143.08566	8.7
145.02864	7.3
145.06465	3.5
145.10115	14.2
147.04393	13.7
147.08026	14.7
149.09599	4.6
151.11148	5.4
157.10086	6.6
159.11719	7.4
161.09618	11.8
161.13202	4.0
161.33893	3.1
163.03911	42.3
163.11200	5.1
165.09160	20.8
171.11664	5.6
173.09560	4.9
173.13187	6.1
177.09203	3.4
179.10669	12.3
185.09656	4.3
187.11153	5.7
189.09129	16.1
193.08640	4.2
199.11185	4.3
199.14879	4.0
201.12665	7.5
207.10144	17.1
217.12279	4.1
219.13780	10.9
225.11217	50.5
226.11464	3.7
229.36667	3.0
255.17326	5.1
269.19012	5.5
273.18365	5.8
287.05341	4.9
287.19995	4.8
297.18460	13.6
315.19553	37.1
333.20499	13.0
359.60333	3.6
495.18124	3.6
495.29230	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	495.259
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
59.05003	37.5
59.46263	1.2
67.05498	3.4
69.03409	1.8
69.07069	4.3
79.05493	3.4
81.07041	4.1
85.02885	2.1
91.05471	7.2
93.07052	3.6
94.09292	1.3
95.04955	1.4
95.08601	4.8
97.02897	1.9
97.06548	2.3
101.62420	1.3
105.07038	30.2
107.08607	4.8
109.06499	2.4
109.10147	2.5
111.04446	7.5
117.07004	3.5
119.08559	5.9
121.10135	2.4
128.06215	1.4
129.07010	2.4
131.08583	14.1
133.10141	2.6
135.08070	5.8
141.06978	3.0
142.07793	2.6
143.08542	9.5
145.10092	9.6
155.08560	24.0
156.09294	2.9
157.10138	22.7
159.11711	25.1
161.13199	2.7
161.91588	1.5
167.08652	2.2
169.10101	7.7
171.11713	16.8
173.13251	4.4
179.08513	3.2
181.10109	6.2
183.11736	7.2
185.13268	6.2
193.10118	2.1
195.11714	9.0
196.12524	1.8
197.09677	1.9
197.13290	4.5
199.14763	1.7
203.14313	2.4
205.15822	2.7
207.11722	1.8
209.13307	6.3
211.11121	2.1
211.14816	16.4
213.16351	20.3
221.13326	3.1
223.11011	1.7
227.17854	7.2
235.14809	4.1
237.16396	18.8
239.14320	4.9
251.18005	3.8
253.15848	4.4
255.17444	40.3
257.15329	8.8
261.16403	4.7
273.18372	7.7
279.17322	10.9
288.78983	1.5
297.18475	22.0
315.19559	100.0
397.74258	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2589
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
51.88752	1.6
53.03937	1.9
53.33797	1.7
55.05503	2.9
67.05508	16.5
69.03432	2.4
69.07051	1.9
70.81818	4.5
79.05490	4.2
81.07048	6.6
83.05003	2.5
91.05475	6.7
93.07046	9.3
95.04953	2.0
95.08604	13.3
96.79427	1.7
97.02886	5.6
98.75633	1.6
105.07045	8.6
107.08595	11.8
109.06507	3.2
109.10159	100.0
111.08104	3.8
113.06010	1.6
119.08593	21.2
121.06496	2.2
121.10148	4.9
123.08076	3.6
123.11720	1.8
133.10123	21.5
135.08044	3.2
135.11703	2.4
137.09647	2.4
137.13261	3.9
143.08563	4.2
145.10129	3.2
147.08046	12.0
159.11705	3.4
161.09641	8.3
163.11107	2.1
165.09128	16.6
179.10657	11.1
185.13260	1.7
189.09171	8.5
207.10158	20.9
225.11226	50.0
279.17697	1.9
297.18414	2.4
315.19473	5.7
333.20416	4.3
354.78253	1.6
388.59250	1.7
407.02902	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2587
Annotation	Tricalysioside B
Peak:m/z	Relative Intensity
55.01870	1.1
55.05504	2.5
60.10975	0.8
67.05492	3.9
69.03432	5.9
69.07065	3.0
70.73492	1.0
70.73855	3.1
71.04989	1.6
79.05488	5.1
80.86068	0.9
81.03412	3.3
81.07060	8.2
83.04974	5.4
85.02908	8.8
91.05493	4.5
93.07034	6.0
95.04949	2.1
95.08608	6.6
97.02906	6.0
97.06539	2.5
99.08108	6.5
105.07033	7.2
107.04948	2.6
107.08606	12.1
109.02873	1.5
109.06528	3.4
109.10147	3.6
111.04436	2.5
111.08101	1.7
115.05486	1.3
117.07019	2.0
119.08597	6.7
121.06510	5.4
121.10159	5.9
123.04418	1.2
123.08110	4.8
123.11697	1.6
125.06007	1.5
125.09628	1.3
127.03930	2.1
131.08589	1.7
133.06511	1.2
133.10132	4.9
135.08057	33.5
135.11685	3.6
137.06001	1.3
137.09601	5.4
137.13261	1.4
139.07480	1.1
142.07791	1.1
143.08569	2.0
145.10127	3.0
147.04436	1.1
147.08038	2.7
147.11693	3.2
149.09654	3.1
151.07516	1.8
153.09094	0.9
155.08531	1.3
156.09395	1.4
157.10129	3.0
159.08150	0.8
159.11700	1.9
161.09639	2.6
161.13350	2.3
163.03961	1.0
163.11105	1.1
165.09216	1.2
169.10193	1.1
171.08110	1.0
171.11700	4.3
172.95299	1.4
173.09645	2.2
173.13264	2.7
175.11201	3.9
177.12749	1.3
185.09566	1.3
185.13246	2.1
187.11206	1.7
187.14763	1.2
189.12733	2.7
199.11182	2.8
199.14854	1.3
203.14285	1.2
205.15967	0.8
213.12775	2.2
217.12248	3.3
231.13800	1.7
235.13341	2.2
255.17381	1.0
273.18515	2.3
297.18451	3.1
315.19656	4.6
333.20621	100.0
334.21075	2.0
351.21509	2.9
374.23163	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.184
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
54.67484	0.3
64.01736	0.3
64.23728	0.3
67.05518	0.7
69.03432	0.7
70.06583	0.6
71.05002	0.4
71.59129	0.3
79.05509	0.7
81.03416	0.4
81.07062	0.8
82.06575	0.9
84.08164	0.7
85.02908	1.4
87.00805	0.3
89.03889	0.4
90.04266	0.3
91.05488	0.8
93.07047	1.0
95.04981	0.6
95.08595	0.9
97.02907	0.6
98.97635	0.4
99.04489	0.4
105.07032	0.6
107.08589	0.9
109.02885	0.7
109.10182	0.7
112.11259	0.8
117.07029	0.4
119.04959	0.8
119.08577	0.7
120.08098	0.3
121.02883	0.4
123.08172	0.4
127.03918	1.6
128.07065	2.2
128.15691	0.3
129.13872	0.5
133.10135	0.5
140.79688	0.4
145.02899	0.8
145.04933	0.4
145.10194	0.3
146.03133	0.3
146.99652	0.3
147.04433	3.2
153.12805	0.4
163.03935	1.3
167.07077	0.4
169.04781	0.6
171.04109	0.4
177.05501	2.0
178.05803	0.4
185.04344	0.6
186.06535	0.9
187.05762	0.4
193.05023	0.9
204.10184	1.6
219.01801	0.3
230.05640	0.3
237.02924	0.4
275.17725	0.9
290.49084	0.3
305.93225	0.3
314.12329	0.5
315.10455	0.4
331.09976	1.9
332.13589	0.4
349.12592	3.6
363.23062	0.3
451.19275	1.0
454.15344	0.4
495.18417	100.0
495.30017	2.5
496.18713	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1843
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
56.96579	0.4
60.04513	0.9
60.08155	0.6
66.44676	0.4
67.05485	0.4
69.03433	0.9
70.06587	0.4
71.04974	0.5
71.59163	0.5
72.08134	0.3
72.69394	0.3
77.89303	0.3
81.03411	0.6
81.07054	1.3
85.02914	1.6
86.09725	0.6
91.05486	0.7
91.68568	0.3
93.07055	0.9
95.04966	0.5
95.08596	0.7
97.02876	1.0
97.06532	0.5
102.09205	0.4
103.03954	0.8
103.05476	1.4
104.04278	0.3
104.05827	0.4
105.07024	0.7
107.04933	0.4
107.08573	0.6
109.02823	0.4
119.08613	0.3
120.08120	0.6
123.08083	0.5
127.03990	0.7
131.04933	4.2
132.05283	2.2
137.05948	0.4
140.10719	1.0
141.05283	0.8
147.04437	0.8
153.15770	0.3
161.05972	0.3
161.86067	0.3
162.05544	0.5
162.11281	0.8
163.03827	0.4
164.07051	0.4
169.04709	1.5
169.10190	0.3
177.05463	0.5
204.04337	0.3
217.04640	1.7
232.07082	12.2
232.09401	0.6
233.07835	1.1
248.24849	0.4
269.10117	0.3
285.09439	2.9
309.06857	0.4
437.14664	0.4
441.30496	0.9
459.31345	1.2
464.16650	0.6
477.32785	0.8
484.86765	0.4
495.18430	100.0
496.18591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
50.16528	0.4
50.18102	0.4
54.19580	0.3
55.05514	2.5
56.05021	1.2
57.03438	0.5
57.07048	0.6
58.06598	1.4
59.07413	0.4
59.70340	0.4
59.86872	0.4
60.08162	17.0
67.05495	0.6
69.07079	3.0
69.69893	2.4
71.07370	6.8
81.07066	0.5
83.08610	1.4
86.09704	50.1
93.07040	0.6
95.08595	0.9
97.10172	1.2
98.98455	3.4
104.10741	100.0
105.07007	1.0
108.55347	0.5
111.11692	0.5
115.42097	0.3
121.10191	0.4
123.63015	0.4
125.00007	27.8
130.26987	0.4
133.23952	0.4
163.01598	1.0
177.59485	0.4
184.07336	90.7
258.11169	0.6
311.25827	1.6
315.66061	0.4
366.84729	0.4
406.22357	0.7
470.10391	0.5
476.31384	11.7
494.32428	36.7
495.32773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
55.21020	0.2
56.05028	0.4
57.03432	0.2
57.07072	0.4
58.06628	0.6
58.76910	0.2
60.08160	5.2
67.05505	0.6
69.07056	0.4
69.87302	1.0
70.06593	0.4
71.07369	2.6
79.05512	0.2
81.07037	0.6
83.08604	0.4
86.09702	27.7
88.07613	0.6
93.07045	0.4
95.08616	0.4
97.10197	0.2
98.98464	2.3
99.86668	0.2
100.03857	0.2
102.09177	0.3
104.10744	3.5
106.98255	0.2
107.08572	0.4
109.10137	0.3
121.10146	0.3
121.73041	0.2
124.99999	19.9
138.52972	0.3
143.01036	0.3
149.02353	1.5
152.59453	0.2
154.19672	0.2
154.94006	0.2
157.53775	0.3
172.95145	0.2
183.41505	0.2
184.07332	100.0
185.07689	0.4
193.04915	1.6
237.07532	1.8
258.10999	0.2
277.70465	0.2
278.63943	1.8
284.29434	1.2
403.58160	0.2
476.31223	1.2
494.33432	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	494.324
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
50.05151	0.3
55.05511	1.7
56.05024	1.3
57.03426	0.5
57.07067	0.5
58.06595	0.9
59.07367	0.4
60.08160	17.1
67.05502	1.7
69.07062	2.6
70.06577	0.7
71.04963	0.3
71.07373	5.5
71.59724	0.6
74.51801	0.3
79.05481	0.6
81.07038	2.1
83.08614	1.7
86.09699	47.7
93.07036	1.3
93.13165	0.3
95.08584	1.8
97.10144	0.4
98.98476	3.3
102.09173	0.4
104.10736	100.0
105.11066	0.5
107.08600	0.7
109.10124	0.8
121.10156	0.9
124.99993	27.2
135.11693	0.4
149.02316	1.0
149.13213	0.4
163.01578	0.6
184.07327	94.3
185.07648	0.4
193.04959	0.8
237.07535	0.9
258.11014	1.0
284.29495	0.8
311.25745	1.7
336.91830	0.3
476.31323	8.9
494.32382	40.3
495.32806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01857	2.2
55.05514	19.7
57.03445	6.8
57.07057	3.5
59.00054	1.2
62.06078	5.0
65.03939	1.1
67.05506	43.9
69.03423	1.4
69.06728	1.7
69.07069	23.1
71.04974	4.2
71.08610	4.4
71.25075	2.3
79.05493	19.7
79.63495	0.9
80.05799	1.2
81.03393	1.1
81.07054	39.0
83.04981	2.8
83.08614	11.7
85.06522	2.6
91.05479	9.3
93.07041	19.7
95.04942	3.0
95.08602	29.1
97.06519	4.2
97.10165	8.2
98.98474	7.6
99.08039	2.8
105.07041	6.0
107.08586	14.3
109.06449	1.5
109.10156	20.2
111.08069	1.6
111.11712	1.4
117.07005	2.6
119.08573	6.2
119.13045	1.2
121.10122	7.8
121.86123	1.2
123.08067	1.1
123.11685	4.1
125.09618	4.3
131.08562	3.9
133.10139	3.8
135.08029	2.6
135.11714	8.8
137.09581	1.4
137.13234	2.8
145.10114	1.8
147.04416	1.6
147.11679	4.1
149.13277	3.5
151.14786	1.4
153.12712	1.9
155.01082	1.6
159.11728	2.7
161.13315	3.0
163.11215	3.0
163.14777	3.0
173.11867	2.5
173.13240	2.7
189.11258	3.1
194.50845	1.3
209.15341	1.3
213.14848	2.7
216.06317	2.7
229.14395	4.2
233.22630	1.3
243.21004	2.9
261.22083	9.5
279.23190	12.8
304.26324	2.2
322.27368	14.2
330.99857	1.4
335.25815	26.8
353.26852	100.0
354.27133	1.8
387.23575	1.2
407.18130	1.2
433.23337	5.3
476.27914	2.7
494.28766	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29625	0.6
52.08912	0.7
53.03943	4.0
55.01857	1.7
55.05502	1.9
55.83836	0.8
56.58323	0.6
57.03431	3.2
61.02929	4.3
65.03926	0.8
67.05495	2.2
69.03431	11.0
69.07050	1.5
70.85661	1.8
71.04975	1.8
72.21342	0.7
73.02919	2.6
79.05494	15.4
81.03411	4.7
81.07056	1.9
85.02904	67.4
85.77399	0.7
87.04471	0.9
91.03960	2.8
91.05470	12.1
91.71971	0.6
93.07042	100.0
95.04973	5.2
95.08622	2.0
97.02891	16.9
98.36211	0.7
99.04481	3.7
103.03942	1.0
103.44479	0.7
105.07025	3.4
107.08593	21.9
107.09299	1.5
109.02880	5.5
109.10149	1.7
115.03929	1.2
119.08607	1.9
121.06485	0.7
121.10182	1.7
125.09614	2.3
127.03915	20.1
133.06418	0.9
133.10133	1.1
135.08040	1.1
135.11688	39.3
137.06029	0.7
144.95250	0.7
145.04961	30.6
149.09705	0.7
153.12729	1.0
163.03947	1.5
163.06020	14.8
163.11208	1.4
165.09203	0.8
177.12816	1.1
184.07402	1.3
209.48857	0.8
225.11201	1.5
241.15849	0.8
283.15439	2.5
289.09079	1.1
297.17087	2.1
314.26962	0.8
325.11343	3.5
485.38394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05491	1.7
58.07587	0.8
58.13857	0.7
59.04988	1.3
60.04519	1.4
67.05464	1.0
69.03416	2.9
69.07048	2.6
70.17813	3.4
71.04992	16.3
73.02910	0.7
73.06556	5.0
73.95198	0.7
79.05499	5.1
81.03407	4.8
81.07050	21.9
85.02898	25.5
86.09729	0.8
91.05476	2.2
93.07040	13.8
95.08595	2.9
97.02879	7.2
98.20813	0.8
99.04442	11.5
103.03935	38.8
107.08579	10.1
109.02894	3.9
109.06548	0.9
109.10139	1.9
119.08615	1.8
125.09644	0.7
126.09978	0.8
127.03908	36.1
134.67294	0.8
135.11690	21.0
145.04961	22.4
153.12737	100.0
163.03922	1.4
163.06007	34.9
187.06038	1.8
189.16179	0.7
191.03421	1.6
200.70869	0.8
205.07109	1.7
221.24008	0.9
225.11205	0.8
244.03719	0.9
271.08179	2.0
287.05548	4.2
289.09283	2.4
307.10220	11.9
332.27972	1.9
494.33759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02660	2.3
53.03933	9.2
55.05510	4.5
67.05486	11.1
67.16063	2.6
69.03439	16.1
69.07052	5.8
70.06569	5.1
70.73535	9.4
71.04990	7.2
72.08140	4.1
73.02882	3.7
79.05477	15.9
81.03423	17.1
81.07051	22.4
82.06535	2.8
82.07380	3.0
83.04982	3.8
84.08099	4.2
85.02901	61.6
85.50477	2.6
86.09689	6.8
91.05468	24.9
93.07044	86.0
95.04943	11.1
95.08590	13.2
96.08120	4.8
97.02881	31.7
97.06508	4.3
99.04451	35.9
103.03941	68.0
103.05408	3.4
105.07056	15.1
107.08595	100.0
108.08916	4.5
109.02876	22.8
109.06485	4.1
109.10149	4.3
114.90751	2.9
115.03934	3.3
119.04959	2.8
119.08565	5.5
120.08096	9.2
121.10148	3.7
122.97131	3.4
124.07594	3.8
125.09669	3.3
126.09151	7.3
127.03914	89.2
131.04906	7.9
133.10133	8.7
135.11685	81.9
136.06190	4.7
137.05952	6.5
137.13258	4.9
145.04955	51.6
147.04489	4.4
163.03909	5.2
163.06020	39.9
165.09113	3.5
165.12741	4.2
166.08656	6.0
167.07019	3.1
172.03999	4.0
172.95245	3.4
177.05472	4.6
190.04991	10.3
226.11407	3.3
259.09729	3.7
271.08035	8.2
289.09174	4.6
307.10126	8.9
325.11731	6.3
369.10291	3.2
411.68307	3.3
450.20749	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	494.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01869	1.3
55.05522	1.8
57.03437	4.0
57.07057	0.3
60.04520	1.1
65.03956	0.6
67.05502	2.1
69.03427	3.4
69.07070	0.8
71.01370	0.6
71.05004	1.8
71.60624	0.4
73.02909	1.4
75.04504	0.4
79.05495	8.1
81.03426	0.8
81.07062	3.9
83.04977	1.2
83.08615	0.4
84.73850	0.3
85.02909	5.9
85.06534	0.5
87.04448	0.3
89.05991	0.4
91.05480	4.4
93.07047	22.5
95.01335	3.0
95.04971	2.4
95.08642	1.6
97.02908	1.6
97.06538	1.8
99.00808	0.7
99.04457	4.4
101.02375	0.3
101.05991	0.6
103.03930	0.8
105.07035	16.7
107.04958	0.5
107.08599	38.7
109.02889	0.9
109.06518	2.1
109.10167	0.9
111.04424	0.5
111.08077	1.0
113.02375	1.3
113.05984	0.6
117.05531	0.4
117.07023	2.1
119.03357	0.4
119.08586	8.6
120.08942	0.6
121.06515	15.7
121.10147	13.7
121.11031	0.7
122.10484	0.3
123.08077	1.3
123.11692	0.4
125.05987	0.4
125.09621	3.5
126.09956	1.4
127.03916	1.4
127.07578	0.4
129.05457	0.9
130.07813	0.9
131.03401	0.7
131.04958	0.4
131.07039	0.6
131.08592	1.6
133.08586	0.4
133.10124	1.8
134.10480	0.4
135.04445	0.4
135.08063	8.3
135.11702	10.9
137.09596	0.5
139.07568	0.6
141.01834	4.9
142.08691	0.4
143.08586	0.5
145.05016	0.8
145.10132	18.6
147.08025	1.0
147.11687	3.1
149.05960	1.0
149.09627	10.5
154.08618	0.5
155.08540	0.6
156.07826	0.5
159.02878	0.6
161.09604	0.9
162.09950	0.4
163.11189	36.0
164.11519	0.5
165.09131	0.6
173.08220	0.6
173.09636	3.2
179.10687	0.5
180.11009	0.4
180.52217	0.4
181.12262	3.9
189.09053	0.3
191.10678	20.5
191.75462	0.3
192.10999	0.3
207.10149	1.2
208.10646	0.5
209.11731	3.6
211.16911	0.8
215.05510	0.4
225.11287	2.5
226.11490	2.3
227.12794	4.6
247.13377	0.7
265.14386	6.5
283.15408	100.0
284.15677	1.7
290.18564	0.4
301.16217	0.5
303.86694	0.3
331.19171	0.6
332.19403	1.3
365.01419	0.4
367.13901	0.5
423.16513	1.2
440.29596	0.4
441.17410	2.3
458.30826	1.7
459.18600	21.2
460.19342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.7
55.05502	2.8
56.64201	1.0
57.03439	5.3
60.04536	1.5
61.02936	1.2
67.05518	2.7
69.03438	7.3
69.07059	2.2
69.58547	9.2
71.01355	1.4
71.05003	2.4
73.02922	2.4
79.05493	10.2
81.03422	2.8
81.07051	5.2
83.04955	1.9
85.02899	16.9
85.06532	1.9
91.05468	7.6
93.07046	33.9
94.07405	1.5
95.01315	3.1
95.04965	3.4
95.08604	3.7
97.02885	6.4
97.06542	2.2
99.04442	5.4
99.08091	5.0
105.07040	18.7
107.05032	1.2
107.08599	42.0
109.02878	3.9
109.06507	2.2
109.10142	2.2
111.08071	2.1
113.02390	1.8
117.07006	3.0
119.08587	11.0
120.08901	2.7
121.06534	13.6
121.10136	17.5
122.10544	1.2
123.08098	1.3
125.05989	1.2
125.09634	13.0
126.09949	4.9
127.03894	5.2
128.04292	1.2
130.07777	1.2
131.08607	1.9
132.13487	1.3
133.10126	7.9
134.10475	3.1
135.08044	7.4
135.11705	16.6
137.06015	1.2
137.09595	1.5
138.56248	1.2
141.01811	4.9
143.08632	1.2
145.04962	5.6
145.10135	19.0
147.08057	2.8
147.11693	3.9
148.08412	1.3
149.09619	8.7
151.07619	1.1
161.09642	2.6
163.11183	31.7
165.09142	3.8
173.09599	2.9
179.10678	1.5
180.11057	2.0
181.12251	4.7
189.09074	1.7
191.10681	21.4
193.15871	2.3
207.10236	3.6
208.10458	2.9
209.11748	4.1
211.16953	4.8
225.11304	8.2
226.11436	5.4
227.12767	5.2
265.14209	5.4
283.15424	100.0
290.18387	2.4
331.18961	2.0
332.19351	6.5
367.93900	1.3
419.83694	1.6
423.28760	1.1
441.17441	2.2
458.31024	3.4
459.18347	20.3
494.23987	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2022
Annotation	Pyronaamidine
Peak:m/z	Relative Intensity
55.01857	0.6
55.05514	2.6
56.49117	0.4
57.03418	1.6
58.06579	1.5
60.08164	25.7
61.86374	0.4
65.03921	0.5
67.05490	1.2
69.03408	0.6
69.07045	0.8
69.60202	2.8
70.06575	1.3
71.04967	0.9
79.05481	1.2
81.03418	0.7
81.07049	2.4
82.06565	0.7
83.04980	0.9
83.08636	2.1
84.08129	0.8
85.02906	12.1
91.05452	0.9
92.07976	0.4
92.17362	0.4
93.07024	1.0
95.04951	1.5
95.08591	1.1
96.08128	0.9
97.02893	2.2
97.06503	0.8
98.09698	3.5
98.97589	0.6
99.04463	0.8
100.11256	7.0
102.09182	10.5
103.03944	26.7
103.05459	15.9
105.07016	1.1
107.08558	1.1
109.02874	0.5
109.06483	0.5
109.10159	1.2
110.06014	1.1
110.17622	0.4
111.04447	1.8
112.07596	0.4
119.08569	0.8
120.08105	0.9
121.06483	0.6
121.10137	0.7
123.08121	0.5
124.07586	0.6
124.11250	2.9
126.09160	0.9
126.12815	2.4
127.03918	0.8
128.07074	0.8
131.04930	44.8
131.08536	0.7
132.05267	0.5
133.10136	0.9
135.11713	0.7
135.55568	0.4
137.05966	0.6
139.03839	0.5
140.07042	0.5
140.12659	0.6
142.12244	0.6
145.02794	0.6
147.11650	1.3
161.05910	0.4
162.11258	56.3
163.11571	0.5
177.05478	1.6
180.13824	0.5
182.15392	3.8
192.13869	0.6
200.16374	0.7
207.14900	0.7
208.13324	1.0
209.16537	0.9
210.14894	4.7
225.15996	0.6
229.15733	0.5
232.18008	0.7
233.16565	0.8
237.14218	0.5
238.16040	1.4
238.66255	0.4
246.14987	0.8
251.17615	0.8
260.14935	0.7
292.74777	0.4
297.16321	0.4
310.65509	0.4
324.26419	0.5
328.18988	0.4
337.21054	0.8
350.27899	0.9
354.23932	1.1
380.25610	0.5
433.31668	0.7
440.30081	2.6
450.21030	0.7
451.32755	2.5
458.30795	0.8
476.36337	3.4
477.34766	3.7
493.29742	0.6
493.36032	1.3
494.20245	100.0
494.30035	5.4
494.36557	21.5
495.20566	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
56.69735	1.9
56.96561	7.9
57.03443	9.1
61.02920	5.3
69.03427	20.1
70.56001	7.0
73.02895	4.8
79.05481	2.8
81.03418	4.7
85.02900	33.7
85.03372	3.3
86.09710	6.8
87.04486	5.9
91.03960	2.5
91.05499	2.4
95.07418	1.7
97.02895	17.8
98.97583	11.7
99.04494	2.6
106.06552	6.9
108.08121	84.7
109.02901	3.4
115.03926	5.0
116.98642	8.6
118.08691	1.6
119.01910	4.5
119.04957	2.6
123.06871	4.2
124.07614	11.0
126.06668	1.7
127.03934	15.3
128.98586	6.1
132.10136	3.1
134.06013	20.5
134.99678	4.9
136.07567	16.4
137.04605	13.4
143.01958	3.4
145.04955	5.5
146.99672	6.1
147.04370	10.2
148.03879	6.3
150.05525	2.0
151.02719	1.8
152.05719	15.2
152.07050	100.0
158.99702	3.8
161.01234	3.2
161.02925	3.4
170.08134	51.8
170.09592	2.8
170.99695	2.4
171.05038	2.3
173.02936	3.4
175.04509	2.3
177.00739	5.4
182.03389	2.0
182.99748	2.7
183.11157	1.8
189.00766	3.7
191.03912	7.7
197.06535	3.0
201.00797	3.6
202.54741	2.0
205.05502	17.4
214.05884	3.0
219.01820	7.2
221.05070	4.0
225.56851	2.3
237.02789	13.1
238.03238	2.2
245.05170	3.5
260.67743	1.7
261.02798	2.3
263.05960	11.2
272.06375	2.2
272.56601	2.2
273.07504	3.5
277.05963	2.4
279.09268	5.3
295.08490	8.9
314.12357	31.2
332.13394	96.7
336.89490	2.2
353.09225	6.5
375.04172	2.8
376.11328	3.3
393.12317	8.5
395.12421	3.4
409.10175	12.2
476.17441	2.5
488.16690	2.0
494.18924	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	494.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01857	4.9
55.05514	3.1
57.03434	3.2
60.70465	1.4
61.02914	3.4
64.95747	1.3
65.03915	2.4
67.05502	5.6
68.05834	1.4
69.03078	1.7
69.03430	15.5
69.49443	4.9
69.49868	7.4
71.04980	4.1
73.02914	4.6
79.05479	5.0
81.03419	17.0
81.07058	8.6
82.03732	2.1
82.07404	1.5
85.02903	28.2
87.00835	16.1
91.05480	100.0
92.05819	3.0
93.07043	7.1
94.07370	2.6
95.04958	2.6
95.08607	4.9
97.02888	38.2
97.06569	1.6
99.04446	9.0
105.01870	13.0
105.07039	7.1
106.07343	3.3
107.08559	7.9
108.08905	2.5
109.02869	24.9
109.06503	4.7
109.10152	5.0
110.03202	4.2
117.01791	1.9
117.06986	2.1
119.08585	14.9
120.08911	6.5
121.04014	1.3
121.10117	4.7
122.10522	2.2
123.08075	4.7
123.11653	2.3
124.08403	2.3
124.12032	2.0
125.09617	23.3
126.09959	9.3
127.03920	45.3
128.04243	5.5
131.08565	1.8
133.10114	12.1
134.10443	6.2
135.11667	2.1
137.09634	3.3
145.04958	23.5
147.08015	4.9
147.11801	1.3
148.08368	4.1
149.09572	1.6
151.11198	2.0
159.02913	8.0
161.09613	6.8
162.09966	5.5
162.20114	1.3
165.09137	26.5
166.09457	10.4
175.11267	1.3
179.10654	5.8
180.11015	3.6
189.09131	5.1
190.09453	3.8
207.10170	8.7
208.10432	6.5
225.11217	20.6
226.11542	17.9
227.12752	1.4
229.08638	2.7
231.04951	3.5
298.13687	2.0
332.19250	4.4
334.14075	2.0
350.20340	3.0
352.14807	3.3
422.22601	1.9
476.23090	3.1
494.28320	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01857	4.9
55.05514	3.1
57.03434	3.2
60.70465	1.4
61.02914	3.4
64.95747	1.3
65.03915	2.4
67.05502	5.6
68.05834	1.4
69.03078	1.7
69.03430	15.5
69.49443	4.9
69.49868	7.4
71.04980	4.1
73.02914	4.6
79.05479	5.0
81.03419	17.0
81.07058	8.6
82.03732	2.1
82.07404	1.5
85.02903	28.2
87.00835	16.1
91.05480	100.0
92.05819	3.0
93.07043	7.1
94.07370	2.6
95.04958	2.6
95.08607	4.9
97.02888	38.2
97.06569	1.6
99.04446	9.0
105.01870	13.0
105.07039	7.1
106.07343	3.3
107.08559	7.9
108.08905	2.5
109.02869	24.9
109.06503	4.7
109.10152	5.0
110.03202	4.2
117.01791	1.9
117.06986	2.1
119.08585	14.9
120.08911	6.5
121.04014	1.3
121.10117	4.7
122.10522	2.2
123.08075	4.7
123.11653	2.3
124.08403	2.3
124.12032	2.0
125.09617	23.3
126.09959	9.3
127.03920	45.3
128.04243	5.5
131.08565	1.8
133.10114	12.1
134.10443	6.2
135.11667	2.1
137.09634	3.3
145.04958	23.5
147.08015	4.9
147.11801	1.3
148.08368	4.1
149.09572	1.6
151.11198	2.0
159.02913	8.0
161.09613	6.8
162.09966	5.5
162.20114	1.3
165.09137	26.5
166.09457	10.4
175.11267	1.3
179.10654	5.8
180.11015	3.6
189.09131	5.1
190.09453	3.8
207.10170	8.7
208.10432	6.5
225.11217	20.6
226.11542	17.9
227.12752	1.4
229.08638	2.7
231.04951	3.5
298.13687	2.0
332.19250	4.4
334.14075	2.0
350.20340	3.0
352.14807	3.3
422.22601	1.9
476.23090	3.1
494.28320	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	493.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.01863	4.5
55.05510	16.4
56.96563	13.2
57.03416	6.1
59.05003	3.0
59.79604	2.6
67.05506	38.6
69.03428	21.0
69.07050	16.1
70.57080	3.0
71.04980	9.7
71.08020	5.0
73.02888	2.8
79.05498	32.3
81.03421	27.7
81.07051	46.8
83.04975	9.0
83.08609	9.8
85.02903	15.9
85.06529	8.4
87.00812	2.9
91.05479	49.8
93.07044	50.6
95.04965	9.3
95.08596	38.3
97.02872	19.9
97.06526	9.8
97.10174	10.0
98.97612	5.4
99.04449	7.4
99.08081	7.3
105.07031	29.0
107.04932	7.9
107.08590	41.8
109.02873	38.8
109.06512	11.0
109.10156	19.4
111.04421	6.5
111.08071	11.0
116.98624	5.7
117.06986	7.5
119.05000	3.5
119.08577	47.8
121.06516	5.8
121.10133	41.4
123.08079	13.0
123.11702	5.5
125.09621	100.0
125.10567	5.3
126.09946	6.2
127.03912	58.2
129.06970	6.2
131.08540	10.7
133.06471	4.6
133.10109	42.3
134.99612	3.8
135.08047	6.0
135.11674	24.6
137.05992	4.7
137.09625	4.4
139.11176	5.7
143.08495	4.7
145.04924	4.1
145.06555	4.3
145.10107	11.0
147.04381	3.5
147.08073	18.7
147.11678	7.8
149.09557	4.4
149.13243	7.1
151.07506	5.3
151.11200	5.1
157.10089	5.8
159.11632	6.3
161.09596	25.0
161.13237	4.1
162.09972	2.8
163.03935	8.9
163.11136	5.9
165.09114	26.4
167.06996	5.8
169.10146	2.7
171.11667	2.8
173.09641	3.2
173.11758	5.2
173.13242	3.2
177.00676	3.6
179.07027	2.5
179.10674	18.2
185.11716	5.3
185.13301	3.3
189.09103	15.6
189.10701	2.4
191.10703	3.0
200.07819	4.0
201.12714	3.0
203.05844	6.3
203.10640	3.6
203.12538	5.3
207.10153	31.0
215.05807	3.3
221.07062	4.2
225.11200	59.1
227.09488	6.2
237.28023	2.6
240.59227	2.7
245.10625	15.0
259.20569	13.1
261.10846	2.7
276.30167	2.7
277.21606	48.2
285.18478	6.0
287.11633	8.4
289.17865	5.1
295.16974	3.2
295.22665	44.8
297.13367	3.2
305.12695	3.4
311.09372	2.8
313.17831	7.2
313.23700	11.4
331.19006	17.4
331.24939	3.9
335.03207	2.7
335.09183	5.2
339.23361	2.8
349.20099	16.1
350.84879	2.6
351.14481	4.9
354.71872	2.3
369.17300	9.1
369.67752	4.2
389.14694	8.7
407.15805	11.1
421.21829	3.4
471.05246	2.8
475.22665	7.5
493.11160	6.5
493.28058	4.8
505.33994	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	493.2814
Annotation	Ajugaciliatin I
Peak:m/z	Relative Intensity
54.48706	0.2
55.05514	4.2
56.55012	0.3
57.05803	0.7
67.05499	0.7
70.33565	0.7
70.33961	0.6
72.08157	44.2
77.03892	0.3
79.05489	0.8
81.03429	0.6
81.07053	0.9
83.08617	0.3
91.05495	0.9
93.07036	1.1
95.04980	0.3
95.08614	0.8
97.02921	0.3
100.07587	0.4
103.05446	2.2
105.07030	0.7
107.08588	0.4
117.06980	0.4
119.08564	0.5
120.08105	100.0
121.08401	0.6
126.12786	0.5
126.39996	0.3
130.06537	0.4
131.08591	0.3
137.89159	0.3
147.11661	0.3
158.44916	0.3
159.90987	0.3
170.36150	0.3
171.14926	8.3
171.44522	0.3
174.12758	2.9
175.11256	0.3
184.07352	0.3
199.12662	0.5
199.14426	6.7
200.52470	0.3
219.14931	20.0
222.12721	0.8
247.14433	20.3
267.14938	8.9
273.19464	1.1
295.14420	12.9
301.19073	4.0
321.19501	0.7
346.21265	10.4
349.19193	2.3
394.21280	8.8
422.20508	0.4
448.25641	1.2
465.28448	1.4
493.28220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
55.01870	13.1
55.05514	33.9
57.03424	7.7
65.03938	2.8
67.05508	43.7
69.03429	15.0
69.07076	15.1
70.02732	2.1
70.64370	4.7
70.64741	4.8
71.01339	2.8
71.04990	10.2
79.05503	44.6
81.03423	68.8
81.07058	50.6
83.01372	3.8
83.04989	27.6
83.08632	27.7
85.02911	23.0
85.06525	2.4
91.05488	46.2
93.07054	56.9
95.04983	36.1
95.08617	32.2
97.02893	22.7
97.06529	10.9
97.10172	12.4
98.20861	2.8
99.04464	9.7
99.08086	3.4
105.07036	47.3
107.04970	17.7
107.08598	38.3
109.02885	27.2
109.06516	17.9
109.10164	16.7
111.04446	17.3
111.08096	16.2
115.05429	2.5
117.07043	14.8
118.65239	2.2
119.04926	2.2
119.08605	56.9
121.06522	11.2
121.10146	34.7
121.44066	2.3
123.04446	2.5
123.08076	24.4
123.11714	9.5
125.02377	2.4
125.06040	2.5
125.09644	57.3
127.03928	35.5
129.07001	10.7
130.07817	2.6
131.08588	16.2
131.63358	2.1
133.06499	9.4
133.10144	43.3
135.08037	10.5
135.11708	22.0
137.05988	3.6
137.09636	7.9
139.07526	2.7
142.07826	3.7
143.08562	9.8
145.04985	5.4
145.06496	4.9
145.10114	25.3
147.08057	24.9
147.11728	13.6
149.06003	2.7
149.09656	7.5
151.07436	2.7
153.12744	5.1
155.08609	4.7
157.10094	11.1
159.08063	3.6
159.11726	4.1
161.05991	2.7
161.09659	23.7
163.07573	2.6
163.11195	23.5
165.09143	22.3
165.12801	3.2
169.10107	2.3
171.11655	2.3
173.09637	5.7
175.11232	10.0
179.10690	17.4
181.12270	8.3
185.13208	3.2
189.09106	16.5
189.10870	2.2
191.09071	2.3
191.10768	8.8
193.12253	37.5
201.09259	2.8
205.12407	3.7
207.10190	28.9
209.11729	12.8
211.11317	4.3
211.13298	43.0
225.11227	75.9
225.13307	4.4
227.12767	19.9
231.13927	4.0
260.24243	2.2
265.14352	3.3
267.16043	10.1
271.16977	2.5
283.15384	11.6
285.18552	6.4
289.14584	3.0
289.17987	2.5
303.19598	9.3
313.18015	4.8
315.19748	2.7
331.19244	11.0
333.13458	2.5
349.20142	8.2
351.14536	5.8
365.21216	2.7
383.22229	17.5
385.14600	2.9
401.23282	8.5
430.27310	2.5
457.26379	4.8
475.27536	21.7
493.28018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.3
55.01871	12.0
55.05268	1.8
55.05512	25.4
56.22374	1.6
57.03433	11.2
59.04985	2.1
65.03945	2.6
67.05505	44.0
69.03439	13.6
69.07069	13.7
71.04993	8.8
71.59926	2.0
71.60315	1.9
73.02911	2.9
79.05492	45.8
79.39822	1.3
81.03416	58.9
81.07058	37.8
83.01327	1.6
83.04984	18.1
83.08624	25.5
85.02906	18.8
85.06537	3.7
91.05477	45.3
91.76398	1.3
93.07043	54.2
93.07632	3.2
95.04965	27.6
95.08606	41.9
97.02888	14.9
97.06542	7.3
97.10167	6.5
99.04458	6.8
99.08102	1.4
105.07030	39.1
107.04962	16.7
107.08593	40.1
108.12112	1.6
109.02882	24.7
109.06516	13.7
109.10149	13.7
111.04449	10.5
111.08086	11.6
113.06000	3.9
115.05447	2.2
117.07025	13.0
119.08584	49.1
121.02885	3.6
121.06510	8.1
121.10154	26.4
123.04527	1.7
123.08087	9.8
123.11707	4.0
125.06010	3.4
125.09629	37.3
127.03906	26.3
128.06233	2.8
129.06999	13.1
131.04968	1.4
131.08597	13.7
131.68924	1.6
133.06494	5.3
133.10127	26.9
134.43484	1.6
135.04430	2.1
135.08084	5.9
135.11696	33.1
137.05959	2.6
137.09660	5.3
137.13316	1.7
139.07607	2.8
142.07735	1.7
143.08585	5.6
145.04990	3.6
145.06494	1.9
145.10135	25.9
147.08075	14.0
147.11690	11.9
149.09650	7.1
151.11188	4.6
153.09094	1.7
153.12778	6.4
155.08565	2.6
157.10147	13.0
159.11743	2.5
161.09618	11.3
163.07515	1.9
163.11185	48.3
165.09138	14.9
165.12814	3.3
165.85518	1.6
168.38257	1.4
171.11761	2.5
173.09669	5.0
173.13254	3.1
175.11154	10.9
179.10641	12.7
181.12254	10.8
182.09544	1.5
183.11755	3.6
185.13214	2.6
187.07466	1.8
187.11192	1.6
189.09132	12.2
189.11191	3.6
191.10696	4.5
193.10463	2.1
193.12239	37.9
207.10196	16.3
209.11745	7.6
211.13280	39.6
225.11208	48.7
227.12781	69.1
228.13162	2.1
229.14352	2.8
247.13283	7.1
249.14857	2.0
257.19232	1.9
265.14337	1.8
267.15866	24.6
283.15366	13.2
285.18509	3.3
303.19647	3.2
313.18164	3.7
331.19046	7.4
333.13403	2.3
349.20117	4.5
351.14545	3.7
383.22342	5.0
401.23218	3.3
421.22214	2.2
457.21866	2.0
475.27368	23.9
493.15408	7.7
493.27985	100.0
494.28329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.01873	2.4
55.05504	3.2
57.03453	1.6
65.03957	1.8
67.01873	1.8
67.05505	7.7
69.03429	15.1
69.07058	2.5
69.98925	3.9
69.99343	2.9
71.04992	4.5
73.02908	1.1
79.05505	9.0
81.03422	16.2
81.07069	12.2
83.04981	7.4
85.02913	3.3
85.06523	1.8
91.05484	18.2
93.07050	20.0
95.04977	5.0
95.08602	12.0
97.02895	21.7
97.06545	1.8
98.21426	1.3
99.04451	8.4
105.07036	24.0
107.04974	3.5
107.08597	23.0
109.02878	47.4
109.06519	11.0
109.10144	6.2
110.03242	1.7
111.04449	3.4
111.08064	9.0
113.05962	2.3
117.07056	2.5
119.08582	56.9
121.06495	4.2
121.10143	18.6
123.08070	18.0
123.11665	6.2
124.08951	1.8
125.09634	94.3
127.03922	54.9
128.06215	1.2
129.07095	1.8
130.07770	1.4
131.08559	3.6
133.06500	2.9
133.10130	41.0
134.10455	1.3
135.08081	1.8
135.11670	6.1
137.06024	1.4
137.09654	5.8
143.08527	9.5
145.04956	6.9
145.10146	4.0
146.07317	1.8
147.08046	24.7
149.09589	2.2
151.07562	2.4
151.11180	4.2
159.11703	1.4
161.09625	31.3
163.03897	5.3
163.07478	1.5
163.11177	4.3
165.09111	36.2
166.09441	1.8
171.08099	2.4
173.09702	1.8
175.11145	2.1
179.10674	25.6
183.11658	1.4
189.09117	22.9
201.12950	1.4
203.23927	1.2
207.10172	39.4
207.12082	2.6
225.11209	100.0
226.11563	2.0
228.41217	1.5
229.15994	1.8
245.07877	1.6
271.16901	2.4
279.12186	2.1
285.18643	2.3
289.17957	3.1
297.13385	4.2
303.19504	2.7
313.17972	4.0
331.19034	14.8
333.13400	3.7
349.20239	5.9
351.14371	10.3
365.40546	1.4
421.22256	6.5
457.21808	1.4
475.22879	10.7
492.73654	1.7
493.27881	2.4
518.93469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36712	1.2
53.03937	1.7
55.01890	1.4
55.05510	3.8
57.03434	2.9
61.42640	1.2
62.46050	1.1
63.69100	1.0
67.05503	8.1
68.24996	1.1
68.52322	1.2
69.03433	13.6
69.07063	2.3
70.18059	5.4
71.05000	2.0
79.05486	6.9
80.03141	1.1
81.03425	6.3
81.07065	14.1
83.04969	2.9
83.08617	2.6
85.02906	5.2
85.06576	1.2
91.05476	11.4
93.07040	13.5
95.04979	5.1
95.08609	16.3
97.02894	15.1
97.06541	1.7
99.04475	2.8
105.07027	22.3
107.04968	2.5
107.08598	21.4
109.02880	7.8
109.06521	9.2
109.10173	4.2
111.04451	4.0
111.08080	7.8
117.07044	2.1
118.97700	1.1
119.08588	38.1
119.09459	2.4
121.06519	5.1
121.10136	24.4
121.35761	1.1
123.08070	16.1
123.11707	4.2
123.77750	1.1
125.09631	100.0
127.03918	13.2
129.06999	1.2
131.08575	3.7
133.06526	3.5
133.10135	36.6
135.08046	3.3
135.11673	5.8
137.06006	1.6
137.09579	5.8
139.07597	1.7
143.08586	6.2
145.06505	1.3
145.10162	3.8
147.08049	19.1
147.11667	2.7
151.07550	5.0
151.11203	5.3
156.09340	1.2
157.10149	1.7
159.11739	2.6
161.09613	26.1
163.07492	1.5
163.11223	3.7
165.09106	26.6
167.10658	1.5
171.08072	1.3
173.09563	1.7
173.13251	1.8
175.11220	2.6
179.10666	21.2
181.12283	1.7
185.13313	2.8
187.05933	1.5
187.11157	2.6
187.14865	1.3
189.09105	18.3
191.10771	1.5
197.09612	1.4
199.11197	1.5
207.10173	32.9
207.12050	2.0
221.90259	1.2
225.11214	87.9
226.11488	2.8
229.15923	3.7
241.19699	1.5
243.17429	1.7
253.15823	2.6
269.19116	1.8
271.16904	6.9
273.77176	1.2
285.18588	3.3
289.18073	8.7
295.16891	2.2
303.19656	3.2
313.17987	5.4
331.19064	41.5
349.20068	10.1
351.14413	1.6
457.22421	1.6
473.55203	1.2
475.22897	2.0
493.23697	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	493.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01868	1.4
55.05510	3.6
57.03425	2.1
57.07071	1.1
59.05006	0.8
61.02936	1.1
67.05514	5.0
69.03077	1.3
69.03431	14.7
69.07056	2.9
70.99843	1.4
71.04996	1.6
79.05497	7.4
81.03425	7.0
81.07055	10.2
82.43029	0.6
83.04977	1.9
83.08606	0.9
85.02915	6.7
86.09681	0.9
87.04468	0.8
91.05484	11.2
93.07046	15.4
95.04964	3.4
95.08060	1.0
95.08614	12.9
97.02894	15.1
97.06515	2.8
99.04446	2.6
103.05450	1.2
105.07036	17.2
107.04978	2.0
107.08595	17.4
109.02897	11.7
109.06517	6.8
109.10144	4.9
111.04448	2.7
111.08084	6.9
113.06013	1.1
117.07052	2.0
119.08588	33.2
121.06534	5.2
121.10152	21.1
121.11034	1.0
123.08069	13.6
123.11688	3.8
125.09633	100.0
127.03923	16.5
128.06226	1.4
129.06999	1.0
131.08548	1.8
133.06499	2.2
133.10138	30.5
135.08026	2.1
135.11708	6.3
137.06067	3.9
137.06949	0.8
137.09601	4.4
139.07585	1.0
143.08559	5.1
145.04942	1.9
145.06523	1.1
145.10095	4.4
146.07246	1.2
147.08058	17.6
147.11711	1.5
149.09628	1.7
151.07562	3.2
151.11153	4.4
157.10143	1.9
159.08054	0.9
159.11691	2.1
161.09624	22.1
163.03926	0.9
163.07515	1.7
163.11186	4.9
165.09113	23.3
167.07022	0.7
169.10101	1.3
171.08058	1.3
171.11717	1.7
173.09583	1.3
173.13319	1.3
175.11192	2.2
179.10663	18.9
185.13277	0.8
187.11224	1.1
187.14908	1.1
189.09108	18.0
196.55638	0.7
197.13199	1.4
207.10175	33.0
209.11542	1.0
219.13780	0.9
225.11220	71.9
226.11548	1.5
229.12265	1.4
229.15906	2.5
241.09279	0.7
243.17418	0.9
253.15961	1.9
267.17557	0.9
271.16940	6.1
285.18497	3.4
289.17987	8.9
295.16895	1.9
303.19629	3.2
313.17941	6.3
331.19037	36.3
333.13303	1.4
349.20090	11.7
351.14331	2.2
369.15283	1.2
457.22900	0.8
475.23007	3.8
493.24225	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	493.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01857	1.8
55.05504	2.0
57.03424	3.0
59.04993	0.8
59.18226	0.8
61.08125	0.8
65.03955	1.0
67.05510	5.3
69.03430	17.3
69.07058	2.3
69.73712	0.8
69.82751	4.3
69.83166	1.6
70.47907	0.7
71.04990	1.8
71.70892	0.7
73.02906	1.1
79.05498	6.4
81.03412	6.4
81.07059	11.9
83.04974	2.5
83.08590	0.8
85.02914	5.1
85.06548	0.8
91.05485	9.9
93.06466	1.2
93.07043	15.6
95.04958	3.5
95.08604	14.0
97.02896	15.7
97.06509	2.3
97.10126	0.9
98.20753	1.1
99.04441	2.7
99.08118	0.8
103.05461	1.2
105.07035	20.9
107.04965	1.8
107.08600	20.8
108.06757	0.8
109.02888	10.4
109.06525	8.5
109.10165	5.3
111.04434	3.5
111.08073	7.5
113.05976	0.9
113.88385	0.8
115.62828	0.7
117.07027	3.2
119.04940	1.1
119.08584	39.6
121.06543	4.2
121.09309	1.5
121.10149	23.1
123.04433	0.8
123.08070	17.3
123.11682	4.1
125.06001	1.6
125.09632	100.0
126.09917	0.9
127.02977	1.0
127.03919	19.0
128.06236	1.9
131.08546	2.6
133.06491	3.2
133.10132	33.0
135.08054	2.4
135.11671	4.2
137.05959	2.5
137.09615	5.5
143.08543	6.4
145.04947	1.4
145.06497	1.8
145.10156	5.9
146.07239	1.1
147.08049	21.3
147.11687	1.4
149.05948	1.4
149.09615	1.4
151.07570	4.5
151.11221	4.6
157.10133	1.4
159.11700	2.1
161.09630	22.8
163.11143	3.9
165.09122	25.4
169.10110	0.9
171.11722	1.5
173.09702	1.1
173.13301	1.5
175.07526	1.0
175.11177	2.7
179.10680	18.7
181.12242	1.7
183.11725	1.4
185.09686	0.9
185.13286	1.3
187.11168	1.4
187.14749	0.9
189.09126	17.2
191.10597	1.1
197.13290	1.8
199.14822	0.9
201.12723	0.9
207.08192	1.8
207.10170	31.5
215.10762	1.1
219.13893	1.4
225.11221	78.5
226.11501	1.3
229.12389	1.2
229.15863	2.1
240.55832	0.8
243.12138	1.0
243.17560	1.1
253.15900	0.9
267.17343	1.4
271.16971	5.5
283.15381	5.0
285.18567	4.2
289.17896	10.9
295.16953	2.8
303.19632	3.0
313.17908	8.5
331.19043	37.7
332.19418	1.3
333.13116	1.6
349.20193	9.2
351.14374	1.1
367.21094	1.1
369.15619	0.9
415.81015	0.9
475.23404	3.6
493.24393	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01871	4.5
55.05510	6.0
57.03418	2.2
59.04997	2.2
60.58200	1.6
65.03919	2.2
67.05508	13.2
69.03429	12.2
69.07065	5.3
69.44369	1.4
71.04995	5.1
71.59222	2.7
73.02921	2.7
73.61120	1.6
79.05490	12.2
81.03426	19.8
81.07063	16.9
83.04980	4.4
83.08603	2.6
85.02901	5.0
85.06527	2.3
91.05482	17.0
93.07045	21.0
95.04958	10.2
95.08617	15.0
97.02888	22.8
97.06532	4.3
99.04482	8.4
105.07031	25.2
107.04948	3.3
107.08590	26.1
109.02882	43.7
109.06532	10.5
109.10170	11.1
111.04478	3.8
111.08080	7.5
117.06999	4.1
119.08587	57.0
121.06523	6.6
121.10144	17.3
123.08062	11.6
123.11703	5.7
125.09630	79.1
127.03923	53.0
127.04633	1.1
128.06227	2.0
129.07030	2.3
131.08540	3.9
131.43184	2.3
133.06456	2.9
133.10139	49.7
135.08093	7.8
135.11697	8.3
137.05963	4.0
137.09650	7.2
139.07539	1.6
143.08521	7.3
145.02904	3.2
145.04959	4.5
145.06473	1.7
145.10153	6.7
146.07343	2.3
147.08051	25.0
147.11716	3.6
149.09622	2.5
151.11180	7.8
155.08649	1.6
157.10112	3.9
159.08110	2.0
159.11676	3.7
159.58180	1.8
161.09627	31.3
163.03917	5.9
163.11226	5.5
165.09126	31.4
171.08009	2.1
173.09590	2.3
173.13225	1.6
177.05492	5.3
179.10667	23.1
181.12277	1.8
181.27396	1.6
185.13264	1.7
187.11307	2.2
189.09096	26.2
189.12740	2.1
193.12291	2.4
199.14816	2.0
207.10181	40.7
207.12085	3.1
225.11221	100.0
226.77031	1.4
229.12273	2.7
267.12201	2.1
279.12201	2.6
285.18491	2.3
289.18008	2.2
297.13354	5.7
301.14328	3.0
313.17892	2.3
315.19623	3.2
331.19003	10.9
333.13412	3.7
349.20163	5.6
351.14359	12.9
421.22025	4.2
426.20236	1.6
440.22333	1.8
457.22055	1.8
475.23404	6.4
493.27567	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	493.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86758	3.7
53.03945	10.3
55.01867	8.8
55.05516	25.6
56.85807	3.8
56.96547	4.6
57.03435	9.0
57.07060	6.3
59.04990	3.5
67.05509	26.3
69.03431	34.0
69.07060	19.1
71.61666	4.8
73.02914	5.2
79.05501	39.0
81.03415	53.7
81.07053	46.0
83.04986	15.7
83.08614	14.9
85.02912	18.2
91.05481	41.4
93.07051	56.1
95.04970	23.6
95.08608	34.4
97.02901	40.5
97.06535	7.0
97.10168	5.0
99.04456	8.8
103.05492	6.7
105.07027	73.2
107.04939	11.8
107.08585	55.4
109.02895	38.8
109.06541	20.9
109.10154	21.6
111.04438	9.2
111.08070	24.8
117.07024	12.8
119.08582	80.7
121.06495	13.0
121.10132	39.0
123.08072	26.0
123.11704	13.4
125.09632	92.4
127.03918	71.2
128.06284	4.6
129.06985	11.2
131.08575	16.4
133.06503	36.1
133.10123	70.4
135.08051	11.2
135.11688	22.0
136.75034	3.4
137.05974	4.9
137.09607	7.2
137.13249	4.4
139.03967	8.8
143.08542	14.5
145.04985	7.3
145.06456	7.9
145.10133	20.1
147.08032	30.1
147.11693	11.0
149.09637	7.3
149.13293	4.6
151.07471	5.2
151.11171	5.4
157.10144	14.5
159.08119	9.4
159.11717	14.5
161.09615	44.0
161.13290	5.4
163.07495	6.7
163.11209	21.6
165.09122	36.5
169.10127	4.2
171.11720	8.5
173.09613	9.2
175.11214	5.0
177.09128	4.0
179.10728	28.1
181.10100	5.2
181.12234	4.6
183.11699	5.3
185.09567	5.5
185.13216	7.6
187.11201	5.7
189.09105	40.3
193.08655	6.1
193.12291	19.9
197.13342	4.8
199.11259	4.6
201.12839	4.8
203.10649	9.1
207.10181	53.2
209.11569	5.6
211.11443	4.6
211.13226	19.8
215.14456	4.8
225.11200	100.0
225.13338	5.4
225.16267	5.5
229.12242	8.5
243.13954	4.9
257.19025	6.3
259.17120	6.1
267.17749	4.7
271.16953	6.4
276.13940	8.4
285.18475	32.4
287.20087	4.8
289.18076	8.5
295.17056	7.3
303.19559	10.4
313.17947	35.1
331.19034	77.1
333.13181	4.5
349.20151	55.4
351.14279	9.5
428.59399	4.6
429.50296	4.0
455.89285	4.6
457.22314	12.6
475.23267	12.5
493.28485	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01865	4.0
55.05509	7.6
57.03426	3.9
57.09069	1.4
59.61141	1.4
65.03932	2.1
67.05507	12.5
69.03435	13.3
69.07081	5.3
71.04984	3.5
71.14676	2.0
71.15009	2.9
73.02899	2.8
79.05495	18.3
81.03418	21.0
81.07052	20.6
83.04982	5.6
83.08628	6.3
85.02912	8.8
91.05486	21.8
93.07050	22.7
95.04987	10.6
95.08614	16.2
97.02901	19.5
97.06552	3.9
99.04463	6.3
105.01889	1.8
105.07030	27.8
107.04985	9.4
107.08592	27.0
109.02137	1.8
109.02886	41.8
109.06517	10.7
109.10162	9.5
111.04424	4.9
111.08113	7.8
117.07040	4.6
119.08581	49.4
121.06509	6.2
121.10142	14.9
123.04398	2.1
123.08064	13.2
123.11691	6.0
125.09635	74.5
127.03918	58.6
128.06227	1.8
129.07019	3.7
131.08603	5.7
131.73285	1.5
133.06497	4.2
133.10130	40.7
135.08034	2.1
135.11688	9.7
137.06004	1.8
137.09621	15.0
143.08528	8.6
145.05011	7.0
145.06445	1.8
145.10136	6.6
147.08051	18.7
147.11751	2.4
149.09639	3.3
149.13303	2.0
151.07596	2.0
151.11211	6.2
157.10152	4.6
159.11687	2.2
161.09621	28.2
163.11197	10.8
165.09119	100.0
171.08138	2.3
171.11620	2.1
173.09702	2.7
173.13266	1.9
175.11208	3.9
179.10674	20.4
181.12201	2.3
183.11772	2.2
187.11253	2.4
189.09120	23.4
191.10739	2.1
193.12323	6.6
205.12251	2.1
207.10165	27.1
211.13341	4.0
213.16309	1.6
225.11212	78.5
227.12782	8.1
227.18031	1.8
267.12335	2.0
267.15817	3.4
271.16922	2.4
279.12350	2.0
283.15524	2.0
285.18454	5.5
289.17914	3.2
295.16971	1.9
297.13351	5.2
303.19519	3.0
313.17981	5.3
325.28354	1.7
331.19128	9.9
333.13684	2.5
349.20227	7.8
351.14359	8.5
369.15747	1.9
383.22372	1.8
391.20996	1.7
401.23358	1.6
421.22281	5.5
457.21964	1.5
475.22470	7.5
475.33395	2.2
493.15063	4.4
493.28082	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	493.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.05505	3.4
57.03422	3.2
64.54945	1.9
67.05489	6.5
69.03429	17.7
69.07055	3.2
70.56395	7.1
70.67431	1.8
71.04972	4.2
71.10271	1.7
79.05475	6.7
81.03430	19.9
81.07052	17.0
83.04977	5.4
85.02896	5.9
85.06538	2.7
91.05477	12.6
93.07037	16.7
95.04992	3.7
95.08602	18.5
97.02883	16.7
97.06523	3.3
97.10183	2.6
99.04445	4.8
105.07025	20.4
107.04946	3.0
107.08595	21.5
109.02884	37.6
109.06509	7.4
109.10159	3.9
111.04432	6.0
111.08071	7.7
113.06011	2.4
117.07016	5.1
119.07790	3.3
119.08582	38.6
121.06503	3.6
121.10139	24.3
123.08068	16.4
123.11695	4.3
125.09631	100.0
127.03916	70.2
129.07036	2.6
131.08533	4.8
133.06505	3.9
133.10124	34.7
135.08029	2.7
135.11684	5.2
137.05959	2.5
137.09613	3.8
139.03894	8.0
143.08551	7.0
145.04979	4.0
145.10141	5.5
147.08038	23.5
147.11629	2.7
149.09547	2.4
151.07504	5.1
151.11160	6.5
157.10130	4.7
161.09599	27.3
163.11169	6.5
165.09116	26.2
167.10715	2.3
171.11688	4.4
173.09622	4.4
173.13251	3.0
175.11163	3.0
179.10675	24.5
183.11635	1.8
187.14752	2.6
189.09117	24.8
191.10632	2.5
197.13269	3.6
201.09068	2.0
203.10693	3.6
207.10178	37.3
215.10706	2.8
225.11201	97.2
226.11588	2.7
229.15944	4.0
267.17499	2.7
271.16937	5.7
285.18527	7.2
289.17929	10.7
295.16785	4.4
303.19403	4.4
309.93753	1.9
313.18045	9.3
331.19061	43.6
349.20044	26.6
351.14249	3.8
352.25629	5.0
388.03647	2.2
391.21167	17.4
457.22397	8.9
475.23248	22.3
493.24252	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	493.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
53.32335	1.7
53.93865	1.5
55.05505	2.1
57.07089	2.0
58.32710	1.8
64.15976	1.8
65.03939	1.8
67.05494	4.3
69.03434	10.4
71.05016	2.3
73.02940	2.5
79.05491	6.1
81.03419	12.3
81.07062	10.7
85.02917	4.1
91.05481	13.1
93.07047	18.0
95.04952	3.8
95.08606	7.1
97.02885	22.4
99.04468	7.5
105.07039	25.2
107.04947	2.4
107.08605	23.4
109.02885	51.7
109.06535	9.7
109.10178	4.2
110.03195	2.0
111.04438	3.3
111.08099	6.1
112.13655	1.5
115.03976	1.7
119.08585	53.3
121.06524	4.2
121.10117	12.2
123.08069	12.7
123.11736	5.9
125.09637	86.7
127.03924	50.5
131.08560	2.1
133.10132	50.3
133.11092	3.6
135.08086	2.0
135.11720	5.2
137.05968	2.9
137.09592	3.8
143.08551	7.5
143.09586	1.7
145.04976	7.1
145.10139	2.0
147.08046	24.2
151.11208	6.8
161.09628	32.0
163.11240	5.3
165.09100	29.7
179.10690	22.3
189.09131	24.4
207.10173	39.8
217.84007	1.9
225.11227	100.0
225.58957	1.8
245.21837	1.7
251.28787	2.1
267.12393	3.8
297.13324	6.5
331.19141	10.2
333.13242	6.6
349.20099	6.1
351.14496	12.2
421.22287	5.7
457.22241	2.6
475.23322	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	493.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01870	4.4
55.05518	9.0
57.03442	2.3
59.04998	1.6
65.03946	1.9
67.05516	9.5
69.03438	12.6
69.07070	3.2
71.05010	2.5
73.02913	2.2
77.03900	1.5
79.05501	13.4
81.03422	27.6
81.07062	18.2
83.04993	5.7
83.08620	4.6
85.02913	8.2
87.04504	1.6
91.05486	20.0
93.07049	24.1
95.04993	9.5
95.08609	16.5
97.02905	20.3
97.06506	4.1
97.10178	2.1
99.04448	8.0
105.07033	25.8
107.04979	4.4
107.08604	26.1
109.02889	47.2
109.06527	9.9
109.10135	7.8
111.04446	3.2
111.08083	8.4
113.05988	1.7
115.03867	1.6
117.07020	4.4
119.08589	55.9
121.06503	3.3
121.10146	18.9
123.04402	1.7
123.08060	17.4
123.11700	5.5
125.06004	1.6
125.09638	87.2
127.03925	70.8
128.06290	2.4
129.07004	2.4
131.08592	4.9
133.06508	6.1
133.10130	47.4
135.08067	3.2
135.11687	7.8
137.05986	1.8
137.09627	6.8
137.98421	1.6
139.03987	1.9
143.08548	8.1
145.04982	5.2
145.10144	7.6
147.08061	28.0
147.11708	2.7
149.09615	2.7
151.07549	2.8
151.11194	6.2
155.08585	1.8
157.10173	5.5
159.11691	2.7
161.09621	29.6
163.11214	5.8
165.09123	31.8
171.08069	2.4
173.09637	1.8
175.11166	4.5
179.10672	22.1
187.14838	1.9
189.09120	22.7
189.12779	1.5
193.12166	7.2
195.78046	1.7
207.10176	44.7
207.12051	2.5
211.13196	10.2
225.11220	100.0
226.11757	1.7
267.12396	2.4
267.15805	3.4
279.12286	2.3
285.18594	2.9
289.18051	4.0
297.13361	5.0
303.19608	2.1
313.18149	5.8
331.19092	14.7
333.13318	5.3
349.20065	10.2
351.14319	8.6
353.63742	1.7
421.22141	4.6
439.21045	1.7
457.22195	4.8
475.22607	8.9
493.14984	1.8
493.28186	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	493.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01887	1.6
56.32893	1.8
57.03430	2.7
67.05495	3.8
69.03428	12.4
70.58932	2.2
70.59271	5.5
73.02917	3.3
79.05508	6.2
81.03412	11.8
81.07056	11.1
85.02916	3.2
88.40619	1.6
91.05469	13.3
93.07043	12.6
93.98996	1.5
95.04962	4.2
95.08624	7.7
95.68357	2.0
97.02896	20.7
99.04447	7.3
105.07030	16.6
107.04926	2.6
107.08599	20.4
109.02882	44.4
109.06493	9.5
109.10183	5.4
111.04467	2.3
111.08098	6.9
113.06108	1.8
117.07049	3.2
119.08579	46.5
121.06495	2.1
121.10150	13.4
123.08059	15.1
123.11742	2.7
125.09634	91.4
127.03919	50.9
133.06429	1.8
133.10129	45.1
135.11708	5.4
137.09608	6.1
143.08560	7.7
145.04962	6.4
145.10133	2.9
147.08034	23.1
151.11183	5.3
161.09619	30.9
163.11159	2.6
165.09113	30.2
179.10695	24.6
189.09091	25.7
207.10185	39.6
209.50481	1.7
225.11220	100.0
267.12115	2.8
271.16757	2.1
279.12247	1.9
285.18671	2.4
289.18051	2.1
297.13452	5.8
303.19565	2.0
313.17908	2.3
331.19113	11.7
333.13333	6.8
349.20096	5.9
351.14291	11.0
366.10629	2.0
408.91702	1.8
421.22098	5.9
433.98328	1.9
457.22324	3.1
475.23328	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	493.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.05500	3.9
55.49674	1.2
56.53992	1.3
57.03424	1.7
67.05490	4.9
69.03407	5.3
69.07061	3.8
69.55471	9.9
71.05006	2.8
79.05493	4.6
80.15366	1.2
81.03419	10.2
81.07040	6.8
83.04974	1.7
83.08641	1.7
85.02906	1.7
91.05479	5.5
93.07050	8.1
95.04967	4.4
95.08603	11.9
97.02888	6.6
97.06524	2.4
98.21509	1.6
99.04478	3.7
105.07030	8.4
107.07963	1.2
107.08561	7.4
109.02877	19.4
109.06538	4.4
109.10126	4.0
111.04437	4.1
111.08085	3.8
117.06988	2.1
119.08595	11.2
121.06528	1.7
121.10152	5.6
123.08064	3.4
123.11707	2.2
124.63459	1.5
125.09642	9.1
127.03915	100.0
131.08551	3.7
133.06520	2.0
133.10106	7.6
135.08051	3.2
135.11705	1.8
137.09634	2.5
139.03888	11.6
139.11171	1.9
143.08611	1.6
145.04944	1.8
145.10106	5.2
147.08064	4.8
147.11676	1.7
149.09610	2.2
151.11171	1.8
157.10164	5.1
159.08058	4.0
159.11676	4.4
161.09647	6.0
163.03912	2.6
163.11182	2.1
165.09087	5.1
169.10123	2.8
171.08011	1.6
171.11713	2.4
173.09659	4.1
173.13318	1.8
175.11151	3.2
177.08937	1.4
179.10643	2.6
183.11801	2.4
185.09613	1.7
185.13322	2.6
187.11232	2.4
187.14777	2.0
188.39160	1.4
189.09129	7.7
193.12325	1.5
197.13287	2.2
199.11220	1.9
201.09158	1.8
203.10666	2.6
207.10172	5.3
211.11238	1.4
215.10681	2.6
225.11194	11.5
225.16454	2.3
229.16005	1.7
239.18007	1.7
243.17503	1.6
257.11786	1.5
257.19128	2.0
261.14822	1.5
267.17493	1.6
271.16992	1.7
285.18466	13.2
287.19846	2.1
295.16986	4.5
301.14334	4.5
303.19598	2.7
313.17953	12.8
331.19022	13.2
349.20111	7.2
373.20111	3.2
391.21112	13.3
429.22574	3.7
457.22467	9.2
475.23157	12.0
493.23877	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	493.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01867	2.9
55.05502	3.3
56.95533	1.6
57.03435	2.4
57.07039	1.4
67.05515	6.8
67.29729	1.4
69.03430	15.0
69.07075	4.1
70.77840	3.6
71.04984	4.8
72.08184	1.6
73.02920	3.6
74.17808	1.1
79.05488	8.9
81.03415	20.2
81.07063	16.5
83.04975	2.8
83.08622	2.0
85.02895	6.9
85.06557	1.7
86.09659	2.3
89.03922	1.4
91.05474	18.0
93.07041	24.0
95.04967	5.9
95.08607	11.8
97.02889	24.6
97.06524	1.3
99.04450	8.5
103.05444	1.2
103.88164	1.3
105.06372	2.6
105.07027	26.0
107.04931	2.1
107.08592	21.7
109.02878	69.6
109.06519	12.7
109.10165	6.1
109.69130	1.4
111.04440	2.6
111.08090	9.8
113.06039	1.7
113.49473	1.4
115.03973	1.3
117.07021	2.8
119.08582	59.1
120.08100	2.0
121.06487	3.7
121.10129	17.9
123.08076	17.0
123.11705	5.4
124.08797	1.3
125.09631	95.8
127.03918	70.6
128.06235	1.7
129.07028	1.9
131.08562	3.2
133.06496	3.2
133.10132	47.1
135.04375	3.6
135.08041	2.4
135.11693	5.9
137.05981	3.0
137.09595	6.6
139.07555	1.4
143.08540	8.6
145.02884	1.7
145.04956	9.1
145.06490	2.3
145.10126	3.3
147.08049	23.3
147.11736	1.5
151.07507	2.1
151.11151	7.9
153.12810	1.7
159.11694	1.4
161.09604	33.6
163.03888	12.9
163.07520	2.3
163.11229	3.6
165.09116	34.9
167.07062	2.3
169.12321	1.6
171.07999	2.0
173.05940	1.6
173.09676	1.7
175.11282	2.0
179.10658	24.3
185.13133	2.2
188.79979	1.4
189.09103	23.2
201.18231	1.4
207.10172	41.6
225.11209	100.0
226.11526	1.8
249.11295	2.2
253.15678	1.3
267.12271	5.3
271.16904	1.4
279.12366	1.7
285.18451	1.9
289.18042	4.4
289.56799	1.4
295.16959	2.0
297.13348	4.7
297.16385	1.4
303.19495	2.2
313.17957	3.0
315.12003	1.7
331.19043	13.3
333.13376	4.2
349.20203	4.0
350.12488	1.2
351.14484	11.7
391.21356	1.9
421.22095	2.7
457.22388	5.9
475.23337	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	493.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.1
53.03942	4.0
55.01854	2.2
56.34821	2.0
62.19480	1.8
66.74604	2.1
67.05498	5.7
69.03434	14.9
69.07064	3.2
70.64688	6.9
73.02916	2.8
79.05490	5.2
81.03419	18.6
81.07063	12.9
83.04980	2.6
85.02911	4.7
91.05470	11.7
93.07043	17.9
95.04980	3.7
95.08608	14.3
97.02899	23.0
99.04446	6.0
105.07034	23.0
107.08587	19.7
109.02884	67.6
109.06539	9.2
109.10182	6.1
111.04435	4.0
111.08128	6.5
111.80511	2.1
119.08586	56.9
121.06529	4.5
121.10150	20.8
123.08053	12.5
123.11704	6.7
125.09627	92.2
127.03920	65.5
133.06482	2.2
133.10129	53.6
135.11678	4.2
137.09644	3.9
143.08586	8.0
145.04982	7.6
145.10139	5.2
147.08044	29.8
149.05966	2.2
151.07495	3.6
151.11171	6.4
161.09624	27.9
163.11137	3.6
165.09103	37.1
179.10680	23.7
189.09085	27.3
207.10181	39.1
225.11224	100.0
234.60727	2.2
255.01254	2.0
267.12207	4.1
289.18155	3.0
295.17157	1.9
297.13397	6.3
308.88602	2.0
313.18146	2.2
331.19125	10.4
333.13376	5.5
349.20001	6.5
351.14294	11.9
421.22272	5.7
429.96460	2.3
443.51703	2.0
457.22214	2.4
475.23288	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	493.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70557	1.3
53.03939	4.1
55.01862	3.8
55.05511	2.3
57.03421	5.6
57.07050	1.5
58.53690	1.3
59.05001	9.4
59.11536	1.4
61.02925	8.7
65.03928	1.5
67.05502	7.4
69.03423	22.8
69.07055	3.3
70.06583	2.3
71.04993	17.2
71.59476	2.2
72.08141	2.0
73.02888	3.8
73.81223	1.6
75.05587	1.8
79.05489	14.0
81.03412	9.0
81.07057	38.7
81.53623	1.3
82.01215	1.5
85.02904	100.0
86.09695	2.9
87.04418	1.8
91.03939	4.3
91.05471	5.8
93.07047	15.5
95.04958	5.2
95.08591	5.0
97.02890	29.1
99.04440	6.4
105.07030	8.8
107.04937	1.5
107.08596	11.8
109.02880	8.3
109.06525	9.8
109.10158	19.0
111.08067	4.4
117.03384	3.4
120.08102	2.7
121.10128	1.6
123.08071	2.7
123.11713	31.8
127.03921	25.8
133.06459	2.8
133.10121	10.5
135.04437	2.7
135.05522	2.2
135.08058	2.5
145.04958	35.5
151.11179	73.5
153.69646	1.3
161.06007	3.6
163.03911	15.2
163.05977	12.6
169.12233	7.2
188.31076	1.6
207.10126	1.9
208.13335	1.6
247.16798	1.9
313.16507	3.0
499.44183	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01876	3.7
55.05507	6.1
57.03428	2.0
58.25188	1.4
66.83391	1.4
67.01826	1.3
67.05510	9.9
69.03432	15.5
69.07058	3.7
69.92928	6.7
71.04992	3.1
73.02917	3.6
79.05496	11.9
81.03426	20.5
81.07055	15.6
83.04975	3.4
83.08636	2.2
85.02892	6.4
91.05488	22.1
93.07056	21.7
95.04951	8.1
95.08618	14.0
97.02894	22.1
97.06541	3.5
97.10187	1.7
99.04459	7.7
105.07043	26.3
107.04963	3.2
107.08595	26.6
109.02884	52.9
109.06527	12.1
109.10141	6.8
111.04447	4.7
111.08064	8.6
113.05969	2.1
115.99461	1.4
117.07015	3.4
119.04957	1.7
119.08582	60.3
121.06518	5.1
121.10151	18.9
123.08069	18.2
123.11707	6.0
125.06002	2.1
125.09634	88.7
127.02961	3.0
127.03918	63.2
128.04251	1.7
128.06238	1.7
129.06993	2.9
131.08586	3.7
133.06563	2.8
133.10136	50.0
135.08083	3.0
135.11684	6.8
137.05998	2.8
137.09584	6.9
143.08572	7.2
145.04944	6.6
145.06670	1.9
145.10115	5.3
147.08049	22.2
147.11691	1.7
149.09641	2.3
149.90181	1.4
151.07487	2.3
151.11185	6.6
157.10123	2.5
159.11693	2.7
161.09618	30.7
163.11237	7.3
165.09116	33.2
169.10150	2.2
173.13289	1.9
179.10681	25.6
185.13190	2.4
187.28943	1.8
187.81273	1.7
189.09128	26.7
191.10695	2.6
193.12224	3.8
207.10165	39.7
225.11220	100.0
229.15907	1.7
267.12225	2.9
271.17020	3.2
280.64587	1.6
285.18494	4.4
289.18005	2.5
297.13193	7.9
303.19525	5.1
313.17911	4.3
323.19107	1.4
331.18985	12.8
333.13318	4.4
349.20102	6.8
351.14490	12.5
421.22186	5.7
457.22327	3.0
475.22592	8.9
486.91800	1.8
493.28210	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	493.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01863	0.5
55.05511	0.9
57.03455	0.5
65.03930	0.5
67.05501	1.4
69.03430	1.7
69.07075	1.3
69.54357	3.0
69.72804	0.4
71.04987	0.5
79.05495	2.1
81.03419	2.4
81.07040	2.2
83.01357	0.5
83.04999	0.8
83.08643	1.0
85.02912	1.2
86.09741	0.5
87.27371	0.4
91.05473	2.2
93.07054	2.8
93.26328	0.3
95.04974	1.5
95.08608	2.3
97.02885	2.7
97.06509	0.6
99.04458	0.9
105.07043	2.8
107.08605	2.9
109.02881	5.1
109.06530	1.4
109.10175	1.1
111.04448	1.4
111.08080	1.1
113.06015	0.4
119.08591	5.9
119.09377	0.7
121.06543	0.8
121.10119	1.8
123.08085	1.3
123.11647	0.6
125.09632	6.4
127.03917	13.5
128.06291	0.6
129.07039	0.6
131.08565	1.1
133.06532	0.9
133.10129	3.7
135.08073	0.8
135.11684	0.9
137.05988	1.5
137.09639	0.6
139.03885	1.2
143.08560	1.0
145.05000	1.2
145.06526	0.4
145.10104	0.8
147.04442	0.5
147.08107	2.2
147.11671	0.7
149.09616	0.5
151.11220	0.5
157.10123	0.6
159.11682	0.8
161.02921	0.5
161.09647	2.6
163.03870	0.9
163.07544	0.5
163.11253	0.8
165.09131	3.1
167.07072	0.6
169.04800	0.6
169.10139	0.4
173.09660	0.6
174.48811	0.4
175.07617	0.6
175.11154	0.5
177.09102	0.4
179.07196	0.4
179.10663	1.8
185.04219	1.2
185.13409	0.4
186.06558	0.8
187.07541	0.4
189.09138	2.0
201.09097	0.5
203.14392	0.4
207.10139	2.8
215.10860	0.6
225.11241	6.3
227.05304	1.1
265.09344	1.0
267.08463	0.6
267.12268	0.5
271.17072	0.6
285.18604	1.4
295.17072	0.6
303.19614	0.5
313.18024	1.4
329.08405	1.8
331.19107	3.8
333.13434	0.8
349.12659	2.9
349.20114	1.5
351.14697	0.4
391.21179	1.0
418.43433	0.4
421.22211	0.5
431.16791	5.2
433.14679	3.5
457.22076	0.9
475.16367	0.7
475.23175	1.6
493.16837	100.0
494.17044	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01860	3.8
55.05513	17.8
56.95106	1.8
57.03439	10.3
57.23782	1.7
59.05005	14.0
59.45278	2.1
60.04537	2.4
61.02907	2.7
61.17400	1.6
65.89439	1.7
67.05492	3.5
69.03432	16.1
69.07049	2.7
71.01383	2.2
71.04986	6.4
71.16669	3.9
73.02910	4.5
73.06558	6.4
79.05492	7.0
81.03426	14.6
81.07037	10.0
83.04984	37.7
83.45457	2.0
84.04485	2.3
85.02911	40.6
87.00821	4.3
87.04426	2.2
91.05482	6.7
93.07037	8.1
95.04971	13.1
95.08631	2.7
97.02896	37.3
97.06532	6.0
98.97603	4.9
99.04459	9.0
99.08110	2.4
101.06024	48.1
103.05502	3.1
105.01876	3.3
105.07047	11.9
107.04961	22.8
107.08586	10.9
108.04461	2.9
109.02866	13.8
109.06522	18.2
109.10170	10.0
115.03938	2.2
115.05486	2.2
116.98595	2.9
117.07032	2.0
119.07076	21.3
119.08578	7.6
120.08135	3.0
121.06513	5.0
121.10155	10.7
123.11715	3.8
127.03934	31.5
131.08580	27.8
133.10156	22.2
135.08043	7.9
135.11716	2.2
137.05945	4.1
139.11200	5.1
145.02957	2.3
145.04974	20.6
145.10139	8.7
147.04462	2.6
147.08026	3.0
147.11697	8.2
149.06058	3.0
149.09622	8.5
149.13260	5.4
153.09087	6.1
159.02907	4.1
163.07542	22.5
163.11160	4.1
167.07039	48.2
173.13283	18.6
177.00647	2.2
177.05479	5.0
181.08591	5.7
187.05981	3.3
189.43895	2.4
191.10652	7.4
191.14333	26.8
195.10149	19.6
209.11743	40.1
209.15370	15.1
213.11224	100.0
227.09213	3.1
227.16434	4.8
237.02795	5.4
245.10201	15.5
263.11279	7.7
303.12418	4.9
313.03250	2.7
319.10632	4.6
321.13348	6.9
359.65295	2.1
433.13940	11.1
462.79660	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.01863	6.4
55.05498	8.5
57.03432	6.4
57.07078	4.3
61.02919	4.6
67.05502	14.1
69.03429	23.0
69.07063	9.8
70.06577	1.8
71.04983	11.2
71.56922	2.1
72.08128	2.3
73.02916	7.1
75.89862	1.9
79.05486	15.9
81.03417	22.4
81.07059	39.8
83.04977	15.9
83.08611	6.8
85.02429	3.1
85.02905	48.3
85.06544	4.2
86.09718	2.0
87.00836	20.9
87.04472	2.3
91.05473	11.1
93.07038	23.1
95.04967	54.2
95.08609	15.7
97.02889	23.8
97.06539	12.0
98.20785	3.2
99.04452	20.3
100.11216	2.1
105.01866	23.0
105.07033	34.2
107.04953	3.7
107.08591	40.6
109.02877	21.2
109.06521	79.3
109.10159	33.3
111.08067	4.7
115.03934	2.8
117.01867	2.5
117.07033	3.4
119.08588	18.2
121.06495	2.7
121.10159	25.7
123.08051	7.4
123.11691	11.4
125.09631	3.0
127.03908	40.1
129.01912	2.5
131.08585	18.9
133.09090	3.8
133.10132	81.5
135.08040	12.8
135.11673	13.2
137.06041	3.5
137.09602	2.8
139.11186	18.6
143.08551	6.8
145.04964	11.4
145.10155	10.5
147.02876	3.5
147.11664	16.2
149.09540	2.7
149.13251	27.8
150.05956	2.1
151.07558	2.7
151.11188	7.3
153.09093	27.3
158.10934	8.0
159.02921	11.7
162.05299	2.3
163.07549	2.7
163.11185	5.7
163.14807	7.2
165.12706	3.6
167.07066	4.4
167.14322	5.0
173.13271	64.4
175.14862	2.7
191.14304	100.0
198.08414	3.9
198.11330	2.6
209.15367	66.6
216.12122	2.3
227.16451	19.2
231.04973	9.6
263.44852	2.1
352.88864	2.3
353.19553	2.3
407.94113	2.2
457.20377	2.7
473.52432	1.8
492.18793	5.8
492.30118	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72610	0.3
53.03944	0.2
54.34907	0.2
57.03444	1.1
58.56718	0.3
60.04528	0.3
63.02382	0.4
65.57861	0.3
69.03435	4.0
70.06602	0.3
70.20708	0.2
71.05004	0.3
71.58878	0.4
78.04689	0.3
81.03400	0.3
81.07054	0.3
83.04983	0.6
84.08160	0.3
85.02909	3.5
86.06079	0.6
86.09732	0.5
87.04475	2.7
89.03933	3.7
89.82510	0.2
91.05495	0.6
95.04977	0.4
97.02900	3.8
101.06039	0.4
103.05496	0.4
105.07040	0.6
107.04955	0.3
109.02876	0.3
115.03942	3.9
117.03394	11.7
119.04911	0.4
127.03917	0.6
133.04979	4.0
133.06509	0.3
134.03639	0.7
135.04407	1.9
145.02858	37.9
146.03188	0.3
147.04413	1.4
149.05995	5.0
150.07617	0.9
158.06029	0.3
161.05919	1.1
161.92905	0.3
163.02533	0.5
163.03920	12.5
177.05482	100.0
178.05908	1.1
181.04968	5.3
186.05527	1.2
193.08600	0.8
195.06500	1.3
198.11267	0.9
205.04938	0.6
216.12325	0.8
223.05956	0.4
295.08130	0.3
313.12683	0.5
330.19046	0.4
339.10669	0.4
389.79840	0.3
438.28101	0.3
483.01877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33066	0.9
53.03942	1.4
55.01875	2.2
57.03435	2.5
61.02924	2.1
65.38084	0.9
67.05510	5.1
68.99799	1.4
69.03434	10.0
69.07068	2.2
70.06586	3.0
71.01337	1.0
71.04987	5.6
71.59123	1.5
73.02922	2.7
74.44952	0.8
79.05496	4.7
81.03427	9.6
81.07066	1.8
83.04988	3.1
85.02906	25.6
85.06540	32.4
86.09745	1.0
87.00836	8.6
91.03927	1.2
91.05473	5.2
93.07056	5.7
95.04962	1.9
95.08602	1.3
96.11450	1.1
97.02903	10.6
99.04473	3.5
99.08103	1.0
105.01863	7.9
105.07040	5.3
107.04967	2.4
107.08598	7.0
109.02882	7.2
109.06538	2.7
111.04436	3.8
117.06997	1.4
118.32030	1.0
119.08559	4.4
120.08096	1.3
121.06527	5.0
121.10130	5.7
123.08065	1.0
123.24422	0.9
125.05984	1.3
127.03921	13.1
129.01880	1.7
129.06985	2.0
131.08565	20.5
133.10161	2.1
135.04416	1.0
135.11723	1.8
137.06096	1.0
137.09605	1.8
145.04950	6.9
145.06609	1.1
145.10127	9.3
146.56270	0.9
147.04373	0.9
147.08044	1.8
147.11685	2.1
149.05971	1.1
149.09618	18.9
159.02884	3.7
163.03883	1.4
163.07530	1.2
163.11186	6.2
165.09134	3.6
167.06998	2.2
167.10686	10.9
173.09657	3.4
191.10675	24.5
197.11697	1.1
209.11723	37.3
227.12785	100.0
228.13208	1.8
231.04985	1.7
317.14069	1.2
351.49161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.0
55.05518	1.1
57.03440	11.3
59.05001	2.2
60.04523	2.4
61.02906	0.9
69.03430	37.4
69.03810	1.8
69.83598	0.9
70.06588	4.0
71.60423	1.2
72.08131	1.1
73.02913	1.5
75.04468	1.5
79.05468	1.1
79.87979	1.0
81.03407	1.7
83.04992	1.1
84.24386	0.9
85.02902	27.4
86.09698	2.2
87.00828	0.9
87.04469	22.5
89.03912	5.9
91.05502	2.9
97.02891	30.1
104.07073	1.7
105.07050	1.2
110.22043	0.9
115.03933	34.6
117.03369	15.6
119.04909	1.3
127.03912	2.1
131.04901	1.6
133.04002	1.9
133.04971	32.5
133.06487	1.8
134.03589	1.3
135.04425	13.6
136.71689	0.9
137.05940	1.1
139.03935	1.6
145.02846	46.3
145.04941	2.5
147.04419	3.6
149.05991	8.4
150.07616	7.4
161.05994	5.2
163.03908	100.0
164.04276	2.2
168.21721	1.0
175.03889	1.8
177.05473	78.5
180.08678	1.8
181.04959	47.4
186.05580	1.1
193.08600	2.6
198.11275	2.9
205.04953	5.7
213.05457	1.1
216.12375	5.7
223.05981	2.3
229.04968	1.7
241.04939	1.6
247.05943	1.2
259.06018	2.5
277.07004	1.6
295.08102	3.0
312.12589	1.2
313.12900	1.2
330.19019	1.3
456.29575	1.2
474.30457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.8
55.05514	29.2
57.03437	10.9
57.07067	6.2
59.05002	4.8
65.03912	5.1
67.05502	51.8
69.03403	4.7
69.07061	16.2
71.04994	9.1
71.60188	8.2
79.05494	46.3
81.03421	47.5
81.07056	58.9
83.04992	13.5
83.08607	23.2
91.05482	78.9
93.07050	45.0
95.04962	23.4
95.08596	23.4
97.02917	9.4
97.06538	9.8
97.10167	22.2
105.04436	4.8
105.07040	45.5
107.04964	11.8
107.08597	23.7
109.06536	8.2
109.10115	11.2
111.08085	9.1
117.07034	19.4
119.04910	8.8
119.08565	28.5
121.06519	11.9
121.10180	11.0
123.11715	19.7
125.09641	13.8
129.07004	19.9
131.08569	16.7
133.10165	22.3
141.07059	5.0
143.08549	9.2
145.06497	6.6
145.10146	14.8
147.11682	22.7
155.08604	6.3
157.10193	10.5
163.11209	5.7
165.09219	6.7
166.69286	5.4
167.07079	14.2
169.10165	9.1
171.11670	8.8
185.13388	6.1
187.13324	7.9
193.12320	11.1
193.20314	4.8
207.13760	12.5
227.12811	10.6
231.13945	6.0
243.16000	6.2
249.14871	8.8
267.15973	23.3
281.17459	32.4
289.05228	27.4
305.17560	10.1
331.09534	5.2
353.63763	5.6
399.25397	11.5
417.26257	6.3
455.04773	5.4
473.29010	90.6
491.22415	12.0
491.30005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.0
55.05515	5.6
57.03432	1.4
57.07058	1.7
58.62496	0.7
63.82787	0.8
67.05507	8.3
69.07076	5.0
70.07690	4.6
71.04983	1.4
79.05491	4.8
81.03407	1.2
81.07058	16.4
83.04979	2.6
83.08640	2.6
85.06512	0.9
91.05475	5.4
93.07038	8.5
95.04952	1.8
95.08604	14.9
97.06543	1.1
97.10175	2.4
98.21452	1.6
101.06008	3.0
105.07035	6.0
107.08601	9.2
109.06509	1.3
109.10159	11.2
111.08057	2.0
113.09628	1.4
115.16738	0.8
119.08598	5.7
121.06540	1.6
121.10155	7.1
123.08084	1.0
123.11682	4.2
127.11184	1.2
131.08557	2.2
133.10130	2.7
135.08049	2.4
135.11684	5.1
137.09604	7.7
137.13271	2.5
139.07573	1.2
139.11203	1.5
143.08563	1.4
145.10103	2.1
147.11642	1.8
149.09605	7.4
149.13235	3.3
157.10062	1.0
157.12325	1.1
157.86272	0.9
159.11668	2.7
161.09642	2.1
161.13261	1.5
163.11137	4.1
163.14801	1.2
165.09116	100.0
171.11687	2.0
173.13306	1.5
174.10437	1.0
175.07591	1.8
175.11154	4.5
177.09122	4.7
177.16382	1.0
179.10648	2.4
185.13284	1.1
187.11188	1.9
188.11855	1.1
189.09134	4.6
189.12721	2.6
190.09737	1.4
191.10677	7.1
191.17967	1.1
199.11171	2.3
201.12677	1.9
202.09850	1.1
203.10651	10.6
203.14330	3.0
205.12233	21.0
207.13535	1.0
213.12694	1.5
216.11449	1.3
217.12230	3.2
219.13803	3.1
229.12244	1.5
231.13766	4.6
245.15414	1.5
267.16171	0.9
289.21439	1.4
291.65485	0.8
301.21573	1.3
321.24298	1.2
378.31964	1.0
409.31137	1.7
411.66962	0.9
427.32251	5.5
445.22653	1.2
455.31433	1.6
473.32867	10.7
491.29752	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05509	6.1
56.81420	0.3
56.96553	0.4
57.03440	2.5
57.07074	1.0
65.03932	1.2
67.05505	8.2
69.07063	6.2
69.48616	3.4
71.04996	0.5
71.08603	0.5
79.05492	3.4
81.03410	0.6
81.07050	10.5
83.04990	0.6
83.08611	5.1
84.17786	0.4
85.06537	1.0
91.05478	9.1
93.07043	4.4
95.04964	0.7
95.08607	10.1
96.31696	0.4
96.82864	0.4
97.06513	1.6
97.10160	3.2
99.08075	0.6
105.07023	2.6
107.04915	0.4
107.08577	2.9
109.06531	0.7
109.10147	4.1
111.08075	0.9
111.11713	1.2
119.04940	19.9
119.08595	2.1
121.10138	3.5
123.04410	0.5
123.11697	1.6
125.09612	0.8
131.08543	0.6
133.10146	2.0
135.11703	3.2
137.09570	0.7
137.13254	0.4
139.11214	0.5
143.08510	0.5
145.10167	0.5
147.04405	100.0
147.11641	2.2
148.04816	0.5
149.13284	0.9
151.11189	0.6
151.14766	0.5
153.12802	0.7
159.11722	0.4
161.13240	1.3
165.05464	12.3
165.09158	0.4
165.12784	0.4
179.14308	0.7
204.10210	0.8
217.19495	2.4
221.08150	1.5
235.20465	3.1
252.99655	0.4
253.21574	0.8
309.24271	3.4
327.25278	18.3
341.16977	0.4
351.25043	0.5
357.45404	0.4
367.19110	0.4
473.28812	2.2
491.22485	2.9
491.29968	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88154	1.5
57.21030	1.3
57.41334	1.7
57.60408	1.4
58.94467	1.4
63.57518	1.7
67.07556	1.5
70.01451	5.2
70.01867	3.0
98.20842	3.0
161.76544	1.5
188.44658	1.7
292.18808	2.2
491.29950	100.0
508.01331	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3005
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
55.01878	4.8
55.05514	29.2
57.03437	10.9
57.07067	6.2
59.05002	4.8
65.03912	5.1
67.05502	51.8
69.03403	4.7
69.07061	16.2
71.04994	9.1
71.60188	8.2
79.05494	46.3
81.03421	47.5
81.07056	58.9
83.04992	13.5
83.08607	23.2
91.05482	78.9
93.07050	45.0
95.04962	23.4
95.08596	23.4
97.02917	9.4
97.06538	9.8
97.10167	22.2
105.04436	4.8
105.07040	45.5
107.04964	11.8
107.08597	23.7
109.06536	8.2
109.10115	11.2
111.08085	9.1
117.07034	19.4
119.04910	8.8
119.08565	28.5
121.06519	11.9
121.10180	11.0
123.11715	19.7
125.09641	13.8
129.07004	19.9
131.08569	16.7
133.10165	22.3
141.07059	5.0
143.08549	9.2
145.06497	6.6
145.10146	14.8
147.11682	22.7
155.08604	6.3
157.10193	10.5
163.11209	5.7
165.09219	6.7
166.69286	5.4
167.07079	14.2
169.10165	9.1
171.11670	8.8
185.13388	6.1
187.13324	7.9
193.12320	11.1
193.20314	4.8
207.13760	12.5
227.12811	10.6
231.13945	6.0
243.16000	6.2
249.14871	8.8
267.15973	23.3
281.17459	32.4
289.05228	27.4
305.17560	10.1
331.09534	5.2
353.63763	5.6
399.25397	11.5
417.26257	6.3
455.04773	5.4
473.29010	90.6
491.22415	12.0
491.30005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2997
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
55.57287	1.2
65.15797	1.3
68.06812	1.3
68.54451	1.4
71.60831	2.1
71.61182	1.5
172.61909	1.3
187.41066	1.4
205.57869	1.5
245.05409	1.6
447.81619	1.4
491.29971	100.0
492.29932	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2999
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
50.57614	0.7
71.07298	1.7
72.07102	0.6
82.96379	0.8
85.04027	0.8
92.10660	0.6
95.08658	0.7
109.10211	0.7
120.22103	0.7
134.12462	0.7
179.42767	0.7
202.64708	0.7
205.93414	0.8
210.19951	0.7
212.41792	0.8
398.39667	0.7
491.30005	100.0
492.30154	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	491.2997
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
67.05502	0.5
70.06747	1.2
74.15073	0.2
91.05485	0.3
109.10310	0.2
124.37941	0.2
129.06219	0.3
240.74496	0.3
254.01009	0.2
262.87900	0.3
266.19864	0.3
278.00266	0.2
327.64340	0.3
406.31799	0.3
491.29950	100.0
492.30328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05511	12.6
57.03439	11.3
57.07067	3.5
57.82736	0.9
65.03937	1.8
67.05504	43.0
69.07068	12.8
71.04985	1.6
71.08620	1.3
71.57507	0.9
71.57915	1.0
72.52767	1.0
73.20579	0.9
73.26025	0.8
75.04454	1.0
79.05488	13.5
81.03424	1.5
81.07053	40.8
83.08613	9.6
85.06554	0.9
91.05473	7.9
93.07037	12.3
95.04982	2.5
95.08607	35.1
97.06516	2.1
97.10175	4.1
98.98463	52.8
99.08103	1.5
105.07024	6.1
107.08580	7.1
109.10152	15.0
111.08093	2.3
116.99506	1.6
118.49561	0.9
119.08569	5.1
121.10134	6.8
123.11700	6.6
133.10136	6.2
135.11676	5.1
137.00012	3.7
137.13287	2.5
139.11111	0.9
140.01100	1.2
147.11691	3.1
149.13264	2.6
151.14809	2.0
155.01041	55.0
161.13280	3.5
163.14821	2.7
165.16422	1.4
175.14876	1.8
177.16388	1.2
196.03578	1.4
211.03642	5.4
229.04669	4.8
245.22655	7.0
254.06140	0.9
263.23737	10.5
302.97467	0.8
319.26309	2.5
337.27344	100.0
338.27716	2.5
473.20300	1.8
473.26614	19.6
491.21786	4.4
491.29965	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	491.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	2.5
55.05717	0.6
57.03431	0.8
59.05825	0.6
64.80831	0.5
67.05502	5.9
69.07027	2.0
70.04037	3.3
71.04981	0.5
79.05503	4.9
81.03428	2.9
81.03799	0.7
81.07051	10.3
83.08583	2.2
85.02885	0.7
91.05074	0.5
91.05476	5.8
93.07034	6.2
95.04935	2.3
95.08601	8.3
97.06514	0.7
97.10134	1.6
98.21271	1.2
105.06398	0.7
105.07029	6.9
107.04911	0.7
107.08608	4.8
109.06536	0.7
109.10136	4.6
111.08076	0.9
117.06979	1.7
119.08584	6.8
121.10090	2.5
123.08047	1.2
123.11743	3.4
125.09586	1.1
129.06976	1.4
131.08525	1.9
133.10069	2.7
135.11621	0.8
145.10130	1.6
147.04393	1.5
147.11693	4.8
155.08397	0.9
157.10126	0.7
159.08144	0.7
161.09618	0.8
161.13182	1.3
163.03905	1.0
163.11176	0.8
165.09097	1.2
169.10051	0.7
171.11728	1.8
184.34578	0.7
187.14706	0.8
189.12688	0.8
193.12216	0.9
203.05222	2.1
203.17984	1.5
207.13811	1.0
225.15634	0.6
227.12769	1.2
243.15771	0.8
245.06294	4.6
249.14815	1.1
267.15915	1.8
281.17459	2.6
287.03735	2.1
289.05298	100.0
321.07562	0.6
351.25287	1.6
359.29395	1.2
381.24527	0.7
399.25195	1.1
447.23587	1.1
473.28995	6.1
491.22528	44.7
492.22748	1.2
499.61127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69316	0.6
53.03950	5.0
55.01630	1.1
55.01873	14.6
55.05510	27.2
56.33138	0.7
57.03444	7.0
57.07069	1.6
59.04993	4.4
62.66253	0.7
65.03920	2.0
67.05502	21.5
69.03419	2.4
69.07071	8.5
71.01339	1.9
71.04990	6.7
73.93813	0.7
77.03909	1.2
79.05495	38.0
79.05965	1.9
81.03416	19.0
81.07052	32.9
82.00594	0.7
83.01340	12.9
83.04488	1.0
83.04981	21.0
83.08154	0.9
83.08620	16.2
85.02912	6.6
85.06544	2.0
91.04897	1.0
91.05481	30.7
93.07040	40.3
95.04972	13.5
95.08040	1.4
95.08602	14.2
97.02897	4.6
97.06522	9.4
97.10156	1.9
99.04456	3.7
103.05449	2.4
105.04494	0.9
105.07029	19.4
107.04956	14.9
107.08595	21.7
109.02862	1.2
109.06519	13.8
109.10139	4.9
111.04430	3.9
111.08061	3.1
115.02316	0.8
115.05410	1.6
116.06229	0.7
117.06207	1.3
117.07009	15.5
119.08578	15.4
121.06502	7.5
121.10141	12.1
123.04404	1.2
123.08062	14.8
123.11683	1.0
125.05981	3.3
125.06826	0.7
125.09641	3.9
127.03848	0.8
129.06984	3.4
130.07748	3.2
131.04939	1.2
131.08565	7.8
133.06494	1.1
133.10123	3.9
135.04384	0.9
135.08032	3.4
135.11691	21.0
137.09583	2.6
139.07536	1.5
143.08568	2.3
145.06464	2.5
145.10124	28.2
147.08058	4.2
147.11694	1.3
149.05968	1.5
149.09608	1.8
153.09082	0.9
153.12721	8.1
155.08533	1.6
161.06081	0.9
161.09567	0.8
163.11182	46.9
164.11589	0.9
165.09137	1.6
173.09644	6.4
176.05284	0.8
181.12221	9.8
188.42195	0.7
191.06960	1.0
191.10660	5.7
193.12309	1.0
199.13152	0.8
209.11728	16.2
219.13759	1.0
227.12759	12.1
229.45836	0.8
237.02747	0.9
239.17361	0.7
272.09848	0.7
283.15378	1.0
301.55222	0.8
327.92148	0.8
379.85181	0.8
385.23453	1.2
445.02505	0.9
459.27411	4.0
491.26288	100.0
492.26376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
57.07074	0.6
61.28507	0.4
67.05497	1.5
69.07057	1.4
70.77933	0.7
79.05497	0.6
81.07059	8.4
93.07018	0.5
95.08611	4.3
109.10221	0.6
120.96640	56.3
133.10126	0.5
137.13266	1.2
138.97655	1.2
161.99263	0.8
162.05574	0.6
167.07051	0.6
227.27403	0.4
257.09149	100.0
258.09561	1.0
267.70175	0.4
275.10147	1.6
298.11774	3.1
308.70630	0.4
349.90979	0.4
405.70599	0.4
470.05396	0.4
491.24966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94786	0.2
67.14858	0.3
69.03445	1.4
70.06592	1.5
73.67071	0.3
78.04721	0.3
81.03401	0.3
89.03914	4.7
91.05500	0.4
97.02883	0.4
117.03384	15.8
121.06445	0.3
127.03912	1.1
134.03613	1.1
135.04446	1.4
145.02847	43.1
146.03117	0.3
147.04430	0.4
149.05998	5.9
163.03909	0.6
175.62624	0.3
177.05470	100.0
178.05800	1.5
186.05479	1.1
216.44954	0.3
216.51660	0.3
265.79184	0.3
321.09665	0.7
339.10754	0.9
393.47388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74490	0.3
69.03428	1.1
70.06696	1.5
70.73677	0.3
89.03918	5.5
117.03381	18.0
119.04983	0.4
127.03936	1.0
134.03653	0.9
135.04430	1.0
145.02853	50.5
146.03206	0.8
149.05988	6.6
163.03967	0.5
166.09941	0.3
174.91545	0.3
177.05478	100.0
178.05830	1.6
186.05511	0.9
195.06595	0.8
321.09601	0.7
339.10797	0.7
358.42197	0.4
427.01447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53556	6.1
68.53301	5.5
71.59888	10.7
72.70533	4.7
74.06094	11.4
84.04524	10.3
104.98820	5.8
119.55867	5.2
182.01453	7.6
188.87836	5.2
197.92371	6.0
447.06766	20.4
491.05826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.6
55.01879	15.4
55.05514	25.5
55.91745	1.0
57.03439	6.8
59.05008	1.6
61.02934	5.2
65.03941	1.8
67.05514	15.6
68.99805	2.4
69.03436	29.4
69.07063	6.1
70.66497	2.2
70.66868	1.9
71.04995	8.7
72.33082	0.9
73.02920	10.3
79.05492	16.8
81.03423	36.8
81.07069	15.1
83.05001	5.5
83.08625	14.5
85.02911	100.0
87.00835	31.8
87.04449	1.5
91.03960	4.2
91.05480	10.5
93.07053	12.7
95.04991	6.9
95.08622	9.4
97.02899	50.1
97.06542	3.7
97.10177	29.0
99.00830	0.9
99.04459	18.4
101.02383	1.1
103.05514	1.2
105.01876	36.6
105.07033	7.8
107.04964	13.5
107.08602	14.5
109.02888	38.3
109.06537	7.2
109.10143	5.1
111.04490	1.1
111.08092	2.6
111.66261	1.0
112.57913	0.9
115.03961	1.5
117.01861	4.3
117.07030	4.2
119.08640	5.5
121.02899	1.8
121.06538	9.5
121.10133	5.1
123.00702	1.0
123.04424	1.8
123.08096	2.6
123.11727	2.7
125.09641	26.4
127.03923	91.8
129.01859	5.2
129.07004	2.0
131.08583	5.5
133.06476	1.8
133.10138	4.9
135.08075	4.6
135.11713	1.9
137.05936	1.1
137.09639	2.4
141.92549	1.1
143.08569	2.5
145.04971	50.2
145.06374	2.2
145.10179	5.1
147.02901	5.1
147.04369	1.2
147.08043	1.9
147.11714	2.0
149.09653	1.9
149.13222	1.0
151.03941	1.0
151.07639	1.1
153.07016	3.6
153.09091	2.6
155.08557	1.3
157.10175	2.6
159.02901	31.9
159.11700	1.4
161.06001	1.1
161.09648	2.5
163.11201	4.1
165.09129	13.6
165.22591	1.0
167.07048	3.4
168.05739	1.0
169.10172	1.2
171.08112	1.4
171.10168	1.2
171.11681	1.2
173.09593	1.4
173.13330	4.3
177.03951	2.1
177.05429	1.2
180.08133	8.8
181.06494	47.5
185.13251	1.2
189.04037	1.3
189.09238	1.7
189.11241	17.1
191.14346	5.4
193.05212	1.0
193.12206	2.0
197.08078	1.5
197.13416	1.0
199.07541	1.3
201.12895	1.6
203.17787	1.1
207.10126	0.9
208.07570	8.0
213.03972	4.0
217.12273	1.0
219.13812	23.6
223.07552	2.7
225.11192	2.1
227.12737	8.5
229.70007	1.0
231.05008	22.5
233.15167	1.0
237.14925	0.9
247.13354	1.1
249.06145	4.3
249.14886	1.3
250.08635	1.3
263.12775	3.5
273.15021	1.3
275.16409	1.4
281.13864	1.3
307.09702	1.0
349.21689	1.4
353.21143	1.4
367.22772	3.8
371.22064	2.3
381.20380	1.9
385.23792	2.8
389.23181	4.2
399.21564	2.9
407.24323	1.6
417.22360	1.7
429.11868	1.2
441.26138	1.5
445.25961	8.7
456.13168	1.6
459.27536	15.4
463.26883	6.6
473.25656	7.2
474.13821	1.5
491.25827	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01871	2.6
55.05511	8.5
57.03434	5.1
59.05009	1.9
61.02917	2.1
61.50343	0.8
66.45988	0.7
69.03427	7.5
70.06588	1.3
71.04996	1.9
71.10170	1.2
71.10503	1.5
72.07549	0.8
73.06554	3.3
79.05512	4.5
81.03424	6.4
81.07038	0.9
83.05000	4.3
85.02908	14.7
86.09711	2.6
91.05484	2.5
93.07008	1.1
95.04962	1.3
95.08628	1.1
97.02902	23.3
99.04466	3.4
101.06020	17.0
103.05448	4.2
105.07037	50.4
108.04467	2.7
109.02874	4.7
115.05452	9.7
115.53246	0.8
116.98644	0.9
118.04173	3.3
119.07038	5.3
127.03925	12.2
131.04933	1.7
133.06499	49.1
133.10152	1.1
141.34894	0.7
143.04967	1.6
143.06053	3.8
145.04964	8.6
161.05986	100.0
162.06339	1.0
177.05463	1.3
186.70987	0.9
193.08614	80.8
197.11615	0.8
205.08752	1.4
211.09782	1.5
237.02866	1.2
245.10226	2.5
255.02797	1.4
256.03241	2.6
259.09668	0.9
263.11136	1.1
463.17239	0.8
472.84140	0.9
490.17947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24995	1.0
53.03988	1.1
55.01888	1.4
55.05515	3.3
56.96559	1.2
59.04993	1.3
60.04521	1.0
61.02918	1.4
67.05503	2.3
67.47471	1.0
68.99788	1.3
69.03426	4.0
70.06586	8.6
71.05000	1.3
71.56773	1.3
71.57178	1.5
72.08153	3.5
73.02888	1.0
79.05507	2.0
81.03413	4.4
81.07057	4.4
83.04955	1.8
85.02911	24.7
86.09707	4.0
87.00845	2.2
87.10046	1.5
91.05488	5.1
93.07026	2.4
95.04966	2.0
97.02901	7.3
97.06536	1.0
99.04465	1.5
102.05556	1.3
103.05465	1.7
105.01849	2.4
105.07047	12.9
107.08591	2.4
108.36566	1.0
109.02869	4.4
109.06500	2.1
109.10152	1.9
110.07150	1.8
115.05534	1.4
117.06987	2.1
119.08595	11.5
121.06609	1.1
121.10164	3.3
123.11700	13.4
127.03953	6.4
127.68649	1.1
127.70007	1.0
130.07791	1.7
131.08585	2.5
133.06483	8.0
133.10130	1.6
135.11662	1.3
137.05948	1.3
143.08559	1.3
145.04942	2.2
145.10114	10.3
147.04379	1.1
147.08012	1.5
147.11676	19.1
149.09605	1.7
151.07603	1.3
156.09367	4.0
161.05984	7.7
161.09627	1.4
163.03946	4.3
167.07082	1.3
171.11736	3.2
174.10356	1.2
189.12747	100.0
193.08597	7.1
200.22911	1.2
207.13799	16.9
225.14745	6.9
231.04886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01863	1.0
55.05521	1.5
57.03439	9.3
57.88879	0.6
59.05016	0.8
61.02929	1.8
67.05495	0.8
69.03423	3.7
69.28136	7.9
70.06561	0.7
71.04996	80.1
73.02913	2.0
75.04482	4.6
75.86365	0.6
79.05489	0.8
81.03424	2.4
81.07043	1.5
83.04991	6.6
85.02908	100.0
86.03210	0.6
86.06046	1.2
86.09739	1.4
87.00813	1.1
87.04478	2.5
91.05457	1.0
93.07072	0.8
95.04991	1.6
97.02892	5.5
98.20694	1.2
99.04459	2.8
103.03958	1.1
103.05508	0.9
105.01851	0.8
105.07027	2.2
107.08627	1.4
109.02874	2.2
111.04473	3.7
119.08618	1.3
120.96624	0.8
121.10139	1.3
123.08085	0.9
123.11735	1.0
124.05222	2.4
125.06045	1.0
127.03938	5.4
129.05484	45.9
129.06996	1.2
131.04919	1.7
133.06480	1.3
137.05951	4.1
140.46216	0.7
145.04997	3.0
146.08116	1.4
147.06523	23.0
151.07555	1.9
159.07954	0.7
161.13177	0.8
163.06042	1.2
163.11197	3.8
164.09213	5.0
165.09116	9.2
165.12791	1.8
167.07117	1.5
180.08769	1.0
187.07436	0.8
189.09155	0.9
189.12761	1.2
207.13838	2.6
225.14824	4.9
231.10168	0.9
254.45390	0.7
255.08665	1.5
257.09271	2.0
275.12866	0.7
326.14517	0.8
405.02402	0.8
446.15408	1.0
473.20871	0.7
490.13705	3.3
490.27094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	18.3
57.03434	5.3
57.07086	6.9
67.05486	20.3
69.03429	11.8
69.07055	14.7
69.96181	4.8
71.58915	8.9
76.79966	4.9
79.05490	21.9
81.03410	13.5
81.07062	61.3
83.08595	9.2
85.02905	14.6
85.06565	5.1
91.05477	25.3
93.07057	41.1
95.04928	9.0
95.08613	93.1
96.49628	5.0
97.02890	16.0
97.06558	6.7
97.10171	9.6
105.06390	5.8
105.07048	58.6
107.04936	6.5
107.08608	65.6
108.08917	6.4
109.02868	17.5
109.10169	45.0
111.08058	6.4
111.82460	5.6
117.07008	11.6
119.07793	8.1
119.08587	78.1
121.06536	14.8
121.10147	50.0
123.08086	10.9
123.11722	15.2
125.09625	10.6
129.07037	7.0
131.08577	74.8
133.10139	48.5
135.08038	12.4
135.11691	25.0
143.08542	7.4
145.10121	90.0
147.11694	32.3
149.09631	6.8
149.13245	23.4
157.10164	14.7
159.11705	50.5
161.09621	10.4
161.13234	34.9
163.11241	8.4
163.14830	30.7
167.07031	12.5
171.11652	14.3
173.13289	100.0
175.14848	47.8
177.12750	5.5
177.16432	37.2
181.04984	7.2
185.13229	14.5
187.14807	62.4
189.16411	48.8
191.14352	16.3
191.17917	8.6
191.25731	6.7
197.13324	6.1
199.14867	26.1
201.16438	38.6
203.14244	8.7
203.17976	78.2
205.15889	15.8
205.19528	5.7
213.16403	17.9
215.17943	19.4
217.15828	7.9
217.19586	7.4
219.17598	9.0
221.15305	13.7
227.17894	6.7
229.19473	8.4
231.17384	7.2
235.17049	8.8
249.18430	10.9
261.18454	7.2
377.32098	31.1
389.32031	12.8
395.33041	26.7
405.31793	5.8
407.32840	31.8
423.32672	28.6
425.34250	25.2
435.32556	31.6
439.80389	6.0
441.33621	41.0
443.34824	11.0
453.33807	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	18.3
57.03434	5.3
57.07086	6.9
67.05486	20.3
69.03429	11.8
69.07055	14.7
69.96181	4.8
71.58915	8.9
76.79966	4.9
79.05490	21.9
81.03410	13.5
81.07062	61.3
83.08595	9.2
85.02905	14.6
85.06565	5.1
91.05477	25.3
93.07057	41.1
95.04928	9.0
95.08613	93.1
96.49628	5.0
97.02890	16.0
97.06558	6.7
97.10171	9.6
105.06390	5.8
105.07048	58.6
107.04936	6.5
107.08608	65.6
108.08917	6.4
109.02868	17.5
109.10169	45.0
111.08058	6.4
111.82460	5.6
117.07008	11.6
119.07793	8.1
119.08587	78.1
121.06536	14.8
121.10147	50.0
123.08086	10.9
123.11722	15.2
125.09625	10.6
129.07037	7.0
131.08577	74.8
133.10139	48.5
135.08038	12.4
135.11691	25.0
143.08542	7.4
145.10121	90.0
147.11694	32.3
149.09631	6.8
149.13245	23.4
157.10164	14.7
159.11705	50.5
161.09621	10.4
161.13234	34.9
163.11241	8.4
163.14830	30.7
167.07031	12.5
171.11652	14.3
173.13289	100.0
175.14848	47.8
177.12750	5.5
177.16432	37.2
181.04984	7.2
185.13229	14.5
187.14807	62.4
189.16411	48.8
191.14352	16.3
191.17917	8.6
191.25731	6.7
197.13324	6.1
199.14867	26.1
201.16438	38.6
203.14244	8.7
203.17976	78.2
205.15889	15.8
205.19528	5.7
213.16403	17.9
215.17943	19.4
217.15828	7.9
217.19586	7.4
219.17598	9.0
221.15305	13.7
227.17894	6.7
229.19473	8.4
231.17384	7.2
235.17049	8.8
249.18430	10.9
261.18454	7.2
377.32098	31.1
389.32031	12.8
395.33041	26.7
405.31793	5.8
407.32840	31.8
423.32672	28.6
425.34250	25.2
435.32556	31.6
439.80389	6.0
441.33621	41.0
443.34824	11.0
453.33807	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.93994	0.7
50.94274	0.6
51.02375	0.7
53.03941	2.3
55.01878	1.6
55.05511	11.6
57.03435	3.0
57.07076	1.8
59.05020	1.1
65.03924	1.4
67.05505	37.1
69.07073	9.4
70.07091	3.9
71.04995	1.6
73.06575	0.8
77.15111	0.9
79.05494	19.7
79.05962	1.0
80.51968	0.7
81.07060	23.6
83.04993	1.2
83.08620	6.9
85.06559	1.1
91.04964	1.5
91.05486	17.0
93.07043	23.0
95.04971	3.3
95.08606	18.4
97.06538	2.7
97.10172	3.3
98.20800	1.0
105.07026	19.0
107.08601	11.9
109.06561	1.0
109.10158	20.8
109.44296	0.8
111.08141	2.0
115.05515	0.9
117.07005	5.3
119.08585	20.9
121.10155	11.0
123.11715	2.5
125.09638	2.0
127.10249	0.7
129.07037	3.3
131.08575	13.9
133.10124	14.4
135.11717	5.6
137.09666	1.2
139.11166	1.5
143.08554	4.7
145.10126	12.4
145.11153	1.4
147.11697	9.6
149.13255	4.2
155.08600	2.4
155.10640	1.4
157.10127	5.8
159.11708	9.0
161.13240	5.0
163.14781	1.8
169.10133	2.5
171.11646	4.3
173.11760	3.9
173.13290	8.1
175.14841	2.0
183.11761	2.3
185.13275	3.8
187.14828	4.8
197.13336	2.0
199.14853	2.0
201.16264	1.2
211.14951	1.7
213.14798	1.5
213.16586	1.0
239.18098	1.0
241.19511	1.1
259.20667	1.8
261.22281	2.1
271.20624	1.8
285.22101	2.0
286.44458	0.9
289.21561	1.0
299.23715	1.3
305.21210	1.2
342.40555	0.9
363.25400	1.3
377.26907	1.4
379.29929	7.7
391.28464	1.9
397.31073	11.3
415.32126	3.7
433.33356	0.8
453.33710	1.0
471.34665	10.4
489.35815	100.0
490.36130	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3575
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.05982	0.9
51.27669	0.9
53.03923	2.1
55.05511	16.5
57.03435	3.1
57.07069	2.0
59.04988	2.3
61.99768	1.0
63.26932	0.8
65.03947	2.3
67.05506	56.5
69.07076	13.3
69.91146	0.9
70.09176	4.2
71.04989	3.6
71.57573	0.8
78.89941	0.8
79.05058	1.7
79.05495	25.5
81.07056	25.6
83.05001	1.4
83.08627	7.2
83.44600	0.8
85.06534	1.6
91.05482	19.9
93.07043	27.1
95.04964	2.8
95.08611	21.7
97.06534	2.8
97.10177	3.6
98.20774	1.1
103.05447	0.9
105.07038	19.8
107.08593	14.9
109.10155	31.3
117.07005	6.1
119.08588	21.2
121.10143	13.1
123.11708	1.5
125.09583	1.2
129.07001	3.3
131.08569	11.9
133.10133	13.3
135.11728	6.2
137.09616	2.1
139.11212	1.1
143.08546	5.3
145.10120	13.2
147.11699	9.9
149.13269	3.9
155.08536	1.9
155.10626	0.9
157.10138	4.1
159.11731	6.2
161.13269	4.3
163.14828	2.0
169.10117	2.1
171.11674	5.2
173.11757	9.6
173.13295	6.5
175.14825	2.4
177.16386	1.0
183.11717	2.9
185.13300	3.1
187.14793	3.2
197.13263	2.2
199.14815	2.8
203.15112	0.8
209.13408	1.0
211.14873	1.3
213.14771	1.3
222.28407	0.8
229.14319	1.2
230.67392	0.9
239.18071	1.0
259.20660	1.2
261.22220	2.8
285.22128	2.4
289.21439	1.3
315.23221	1.0
317.24765	1.9
377.26697	1.1
379.29871	5.6
391.28659	1.2
397.30966	9.2
415.32526	1.9
433.32373	1.1
471.34637	11.7
489.35791	100.0
490.36169	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
55.05513	13.1
56.99303	0.9
57.03428	3.1
57.07063	3.0
58.85069	1.0
59.04999	1.6
61.60620	1.1
65.03936	1.9
66.70360	0.9
67.05504	55.2
69.07076	9.4
69.58467	7.8
71.04991	2.6
78.46397	0.9
79.05493	21.2
81.07055	27.4
83.04963	1.2
83.08626	6.9
85.06537	2.5
91.05476	17.2
91.06011	1.5
93.07043	25.3
95.04984	4.3
95.08044	1.8
95.08604	20.0
97.06550	2.4
97.10165	2.6
98.21513	1.7
99.08109	1.6
102.71432	0.9
105.07032	16.5
107.08584	13.1
109.06487	1.1
109.10154	30.5
111.08063	2.3
117.07008	8.6
119.08587	23.1
120.77893	0.9
121.10140	12.7
123.08087	1.6
123.11748	2.0
127.07625	1.1
129.07036	2.0
131.08588	10.5
132.44821	0.9
133.10123	13.1
135.11703	6.1
135.12596	0.8
137.09637	2.4
139.11198	2.1
141.06981	1.3
143.08594	3.8
145.10115	12.3
147.11682	9.0
149.13310	3.0
155.08543	1.4
155.10721	1.3
157.10150	4.6
159.11694	10.7
161.13242	5.0
169.10100	2.3
171.11670	5.0
173.11745	7.8
173.13283	7.1
175.14803	2.2
183.11711	2.4
185.13284	2.8
187.14835	3.0
189.16418	1.0
197.13374	2.3
199.14828	2.4
201.16466	1.3
209.13330	1.2
213.16481	1.7
227.17981	1.1
261.22192	1.8
274.66608	1.0
285.22101	1.9
287.81100	1.0
299.23453	1.0
377.27011	1.5
379.29944	6.0
397.31091	9.0
415.31992	2.0
471.34851	8.8
489.35779	100.0
490.36157	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.01863	4.5
55.05508	19.3
57.03430	2.6
57.07071	13.4
59.04998	2.1
61.02921	2.0
65.74267	1.4
67.05169	2.0
67.05504	24.7
69.03424	8.5
69.07071	49.6
70.06581	1.5
70.23565	6.4
71.04643	1.5
71.04984	7.8
71.08637	7.3
73.02916	2.3
73.06557	1.5
79.05499	15.5
81.03431	2.8
81.07059	100.0
83.04981	4.2
83.08618	21.7
85.02907	21.1
85.06544	11.3
85.10167	2.3
86.09705	2.1
87.64520	1.3
91.05475	8.9
93.07041	35.5
95.04967	4.4
95.08608	74.8
97.02885	2.6
97.06529	8.7
97.10176	9.5
99.08092	5.9
103.09255	1.2
105.07030	17.1
107.04946	2.3
107.08600	32.6
109.02881	1.7
109.06509	2.5
109.10157	42.3
110.10511	1.2
111.08078	18.4
111.11743	9.7
117.07046	1.7
119.08580	10.7
121.06540	2.4
121.10146	20.3
123.08082	2.4
123.11702	34.5
125.09618	2.5
125.13265	4.7
127.03910	1.7
129.06982	1.7
131.08572	2.9
133.10115	8.4
135.11700	21.9
137.05980	3.3
137.13260	27.7
139.11192	3.0
143.08551	1.8
145.10062	1.7
147.04466	2.1
147.08012	2.1
147.11693	13.0
149.05907	1.6
149.13269	19.7
151.14804	3.6
153.12752	16.2
155.14282	9.4
157.10202	2.7
159.11696	3.0
161.09598	3.7
161.13248	6.7
163.14828	8.6
165.09117	2.0
165.12750	13.0
165.16406	3.0
167.07007	2.4
167.14310	2.7
169.26198	1.2
171.13774	3.2
175.14827	3.5
177.16373	7.2
179.14259	2.0
179.17979	1.6
183.13840	3.1
187.05528	1.4
189.16470	3.3
191.17976	3.0
201.14865	3.1
203.17891	3.2
205.19472	1.7
217.19583	3.8
223.17068	1.9
235.20526	1.5
261.25845	4.1
273.25787	10.8
279.26797	6.8
281.13983	2.3
291.26825	22.5
297.28152	2.3
309.27878	12.0
327.28885	2.5
331.33542	1.4
399.29120	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01860	6.0
55.05509	20.2
57.03439	6.3
57.07079	18.1
66.82157	2.3
66.93308	2.9
67.05507	37.4
69.03420	12.7
69.07069	43.6
69.63030	17.0
69.63446	4.8
71.04987	5.7
71.08620	12.4
73.02905	3.7
79.05486	24.4
81.03418	13.8
81.07061	96.8
83.04964	4.5
83.08631	25.7
85.02903	34.4
88.53017	2.6
89.42724	2.8
91.05482	22.9
93.07048	54.4
95.04970	10.1
95.08612	100.0
97.02856	7.1
97.06527	11.8
97.10178	12.0
98.20719	4.9
101.79361	2.5
102.62431	2.8
103.05476	3.6
105.06382	3.3
105.07039	34.5
107.04966	6.8
107.08595	40.3
109.02876	5.2
109.06514	8.2
109.10155	59.2
111.08074	4.4
111.11735	8.4
117.07047	5.8
119.08581	24.5
119.58427	2.5
121.06537	3.8
121.10149	34.9
123.04478	3.5
123.08047	9.6
123.11718	31.1
125.09577	4.2
125.13306	3.6
127.03888	7.9
129.05438	2.9
131.08589	6.9
133.10139	22.2
135.11696	26.7
137.06032	4.5
137.09618	6.6
137.13290	13.9
139.11214	4.0
145.06577	3.8
145.10091	10.0
147.11705	27.4
149.13249	20.7
151.03955	2.9
151.07523	4.3
151.11227	4.7
151.14798	5.3
159.11703	5.8
161.13232	13.4
163.14793	16.6
165.09114	9.6
165.12749	8.3
167.07100	18.1
175.14792	6.8
177.16411	10.5
179.14214	3.9
179.17928	3.3
181.04927	10.7
183.13875	5.7
187.07596	3.4
189.16403	6.7
191.07065	4.2
191.17865	4.8
203.17969	8.0
205.15800	3.9
217.19536	11.9
249.25771	2.7
257.08258	3.6
273.23578	2.8
273.25833	31.2
291.26755	23.9
309.27750	4.7
416.14319	4.0
489.17636	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	489.2977
Annotation	Trp Lys Arg
Peak:m/z	Relative Intensity
54.61707	1.4
65.31766	1.6
67.05475	2.1
70.83044	1.3
71.59053	1.7
71.59458	2.2
81.07059	2.5
91.05448	1.4
95.08604	1.8
109.10185	1.5
113.20786	1.5
119.22773	1.5
121.10188	1.5
121.81150	1.4
133.10143	1.7
181.78152	1.3
261.08862	4.9
269.25220	1.5
311.65454	1.8
321.55539	1.4
323.45609	1.5
358.91388	1.7
360.13486	1.8
489.29733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01860	0.3
55.05502	0.9
56.96571	0.3
57.03427	0.4
57.07070	0.3
67.05180	0.2
67.05507	4.0
69.03423	0.8
69.07080	1.1
71.00028	0.5
71.04985	0.6
73.02917	0.3
76.00632	0.2
79.05500	1.7
81.03415	0.4
81.07054	3.4
83.04986	1.0
83.08614	0.5
85.02899	0.7
85.06534	1.7
91.05480	1.8
93.07047	2.5
95.04951	0.6
95.08616	3.9
97.02888	0.6
97.06517	0.8
97.10154	0.5
99.04375	0.2
101.06008	0.3
103.05465	0.3
105.07030	1.8
107.04945	0.7
107.08607	1.8
108.11210	0.2
109.02866	0.3
109.06499	0.4
109.10158	5.8
111.08089	0.9
113.05982	0.2
113.09639	0.7
117.03401	0.2
117.06999	0.5
119.07780	0.4
119.08579	3.8
121.02863	0.4
121.06507	0.7
121.10165	1.7
122.07290	1.6
123.08076	0.7
123.11711	2.1
125.09634	0.8
127.03885	0.3
129.05505	0.4
129.09119	0.7
131.08525	0.5
133.10107	1.2
135.08052	0.5
135.11702	0.8
137.05942	1.1
137.09618	10.2
137.13234	0.4
139.11116	0.3
141.09082	0.7
143.08524	0.3
145.06456	0.4
145.10120	0.6
147.11691	0.7
148.05124	0.3
149.09610	1.2
149.13275	0.7
151.03912	0.3
151.07518	1.0
151.11174	0.2
152.04674	0.3
153.01854	0.3
155.08597	0.2
155.10612	0.3
157.08585	1.0
157.10104	0.3
159.10335	0.4
159.11731	0.6
161.13245	0.7
163.03902	0.3
163.07486	0.3
163.11137	0.3
163.14853	0.3
165.09114	100.0
165.91682	0.2
166.09444	1.1
167.07057	2.1
169.08684	0.2
173.06012	0.3
173.13248	0.3
175.11172	0.6
175.14809	0.7
177.05533	0.3
177.16386	0.2
181.04968	1.1
185.13358	0.3
187.09680	0.2
187.11218	0.3
189.12712	0.4
196.70053	0.2
203.10695	0.5
203.14293	0.5
205.10564	0.2
205.12238	1.1
229.15971	0.2
241.11163	0.2
265.17892	0.3
271.06024	5.7
272.06406	0.4
273.22058	0.4
281.24722	0.3
291.23206	0.8
295.19040	2.3
297.07874	0.3
317.21063	0.5
319.22549	0.5
337.23682	1.1
425.30505	0.6
443.31546	0.8
459.16238	0.2
471.30734	0.4
489.11801	0.3
489.17709	1.8
489.32352	0.7
490.18475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.1
57.07086	3.2
67.05505	30.6
69.07058	12.7
70.16990	12.8
77.41846	2.6
79.05501	18.8
81.03413	3.0
81.07060	26.4
83.08643	4.1
85.06541	15.8
91.05493	17.3
93.07042	27.8
95.04942	5.3
95.08602	24.9
97.06504	6.3
97.10229	2.3
101.91722	2.4
103.05448	2.7
105.07030	16.1
105.77206	2.4
107.04943	6.0
107.08589	27.4
109.06479	4.6
109.10154	23.6
111.08084	2.8
115.05418	5.3
117.07008	14.7
118.56168	2.4
119.08572	17.3
121.06496	6.2
121.10149	18.2
123.04433	7.0
123.08091	2.6
123.11701	10.8
125.05967	2.3
129.06998	5.5
131.04918	6.1
131.08540	10.0
133.02853	4.6
133.06474	5.5
133.10139	13.1
135.11682	7.9
137.05977	3.7
137.13268	5.6
143.08472	4.6
145.02762	2.6
145.06517	14.5
145.10085	7.9
147.07991	3.6
147.11671	7.3
149.05933	4.8
149.13208	12.4
155.08615	2.9
157.06491	4.0
159.08066	4.3
159.11682	8.5
161.05991	5.9
161.13126	3.1
163.14876	7.1
165.05475	6.8
167.07037	100.0
167.14412	3.0
173.05998	22.8
173.13173	6.5
175.14857	3.7
177.05469	32.2
177.16512	2.7
179.07053	3.0
179.08606	2.2
181.08682	5.3
182.05759	4.1
183.08058	2.9
187.07520	7.9
190.06219	8.2
193.08618	9.6
197.08101	13.4
201.09030	3.3
202.87648	2.4
204.07881	5.5
204.09682	2.7
205.08615	21.0
207.06445	4.2
207.10117	4.2
209.08054	17.5
211.11269	2.5
217.08644	6.8
219.10185	11.1
219.17470	2.5
221.18976	3.5
229.08594	5.1
231.10126	3.3
233.11803	5.6
239.09122	13.0
245.11714	3.6
247.09656	26.2
261.11255	13.9
269.10172	5.4
275.19876	3.0
329.17450	8.2
411.25397	13.7
429.26328	3.4
471.34521	3.5
489.29956	3.9
489.35962	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01869	1.6
55.05526	1.1
56.96561	1.1
57.03440	2.9
61.02926	1.7
67.05508	1.0
69.03432	7.8
70.06600	1.1
71.04984	1.7
73.02919	2.1
79.05489	1.5
81.03411	4.0
81.07066	2.4
83.04991	3.8
85.02911	23.6
86.09708	4.2
87.04456	1.3
91.05487	7.5
93.07056	1.4
94.04192	3.2
95.05003	1.2
97.02905	8.0
98.21525	1.4
99.04462	2.0
103.05476	7.4
105.03378	1.3
105.07047	6.6
106.07267	0.7
107.04927	1.5
109.02895	2.6
109.06516	2.0
115.03951	1.2
115.05455	3.2
117.07062	1.8
119.04948	6.3
121.06560	1.2
122.03654	6.6
123.04462	1.2
127.03912	4.7
129.07013	1.4
130.04132	1.2
131.04935	10.6
133.06509	3.4
135.04491	0.8
135.11745	1.3
137.05984	100.0
145.04985	3.0
145.06517	4.9
146.03636	1.6
147.04410	21.6
147.05513	1.6
149.05971	2.6
155.05013	1.0
157.06477	2.1
161.05986	41.4
162.06749	6.8
163.07535	13.5
163.08795	1.2
165.07108	1.1
169.06485	1.2
173.06023	9.7
175.07599	2.1
177.05438	1.1
178.07797	1.7
179.08531	1.0
181.06432	1.1
185.06033	8.2
187.07578	3.8
189.07059	1.1
190.07784	1.6
191.08597	4.3
193.10187	1.4
201.12366	1.3
202.07787	8.2
203.06924	1.4
203.08595	12.7
205.06581	1.2
206.07289	1.6
207.08174	0.9
218.07272	1.4
219.08052	6.7
220.08821	2.0
221.09657	2.8
223.07460	1.1
229.11809	1.0
231.08073	18.7
235.07600	1.3
237.09109	2.6
247.07617	3.7
248.08406	2.9
249.09132	11.8
251.06955	0.9
251.10664	3.7
259.07574	9.8
260.08560	1.2
261.09167	1.2
261.14484	1.0
263.10663	1.9
263.27045	0.8
265.08682	2.1
266.09555	0.9
276.07828	2.0
277.08609	30.2
278.09360	1.3
279.10181	3.7
281.11545	1.1
291.10110	5.6
297.11197	15.7
309.11243	37.4
311.12772	7.0
327.12094	1.6
390.47995	0.8
417.12958	0.9
489.19565	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	489.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
54.65646	1.6
55.05499	7.5
55.06603	1.8
57.11513	1.8
57.85954	1.5
58.19776	1.6
67.05505	14.3
69.07060	6.1
71.04990	3.4
71.60376	3.4
78.04720	1.7
79.05499	10.5
81.07069	19.6
83.08614	4.2
85.06549	28.1
91.05468	9.5
91.81993	1.8
93.07044	15.6
95.04954	5.4
95.08618	22.1
95.18868	1.6
97.06503	2.6
100.53221	2.0
103.05460	1.9
105.07003	13.8
107.04950	7.8
107.08602	16.7
109.06529	8.6
109.10171	12.6
115.05435	2.9
116.75758	1.7
117.07008	4.2
119.08589	9.3
121.06494	3.2
121.10151	14.2
123.04446	5.5
123.11680	5.0
124.05349	2.4
125.09602	6.9
129.06969	4.2
131.04887	2.4
131.08554	7.0
133.02887	2.4
133.06520	2.5
133.10115	8.8
135.11693	6.3
137.05988	2.7
137.13261	3.0
139.11133	2.0
141.35039	1.8
144.05687	3.2
145.06471	5.8
145.10115	8.0
147.07977	2.2
147.11702	6.9
149.13283	2.5
157.10130	3.3
158.07237	2.0
159.08051	5.7
159.11693	4.9
161.05997	4.1
161.09590	1.9
161.13254	3.8
163.11147	3.2
163.14809	7.0
165.05605	2.7
167.07048	100.0
169.06432	1.8
171.08083	2.3
173.05942	5.2
173.09496	2.1
173.13390	2.3
175.07692	2.2
175.14891	2.3
177.05467	18.0
179.14279	2.5
181.08601	3.8
181.15892	4.4
182.05743	2.3
183.08209	2.8
187.07512	8.5
187.14803	2.4
190.06270	3.4
191.07007	3.8
193.08626	7.7
195.10054	2.3
197.08115	7.4
197.13295	2.3
201.09090	3.8
204.07826	4.6
205.08611	8.1
207.06366	2.4
209.08035	13.6
213.09099	2.3
217.08626	6.6
219.10223	10.4
229.08574	5.3
231.10208	5.4
233.11708	5.7
239.09012	8.3
243.10129	2.2
245.11781	5.7
247.09682	5.7
257.11551	2.3
259.09805	4.0
259.13086	2.9
261.11237	43.6
269.10242	3.7
271.13367	3.0
275.20078	4.8
285.14777	2.3
287.16440	6.7
307.11816	2.3
311.16534	2.8
329.17496	19.5
369.20401	3.1
369.24570	2.2
379.29907	2.8
396.94543	1.8
397.31015	2.7
411.25323	6.4
429.26303	7.4
471.34668	3.4
489.29337	3.1
489.35999	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	489.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87116	0.6
56.05027	1.0
56.96561	0.7
57.03426	1.1
61.02910	0.9
65.03915	1.0
69.03431	4.6
70.06594	1.1
71.04977	0.6
71.07158	1.3
71.07498	1.2
72.08152	3.4
79.05506	1.7
81.03397	1.5
81.07059	1.5
83.04975	0.7
85.02914	8.2
86.09712	8.0
87.04470	1.7
87.10044	0.8
91.05486	6.3
94.04192	2.0
97.02874	4.1
98.05927	0.7
99.04417	1.2
99.90656	0.6
102.05540	1.0
103.05469	4.8
105.07034	3.5
107.04937	1.8
109.02881	1.3
109.06505	1.2
115.03933	0.8
115.05456	1.9
117.07020	1.3
117.09149	0.9
119.04205	0.9
119.04950	7.1
120.05319	0.8
122.03675	4.8
123.04413	0.9
127.03896	2.2
130.04218	1.0
131.04919	14.2
133.04977	0.9
133.06464	3.3
137.05978	100.0
145.04935	1.3
145.06465	3.6
147.04413	28.1
148.04756	4.9
149.06046	1.0
157.06450	0.8
161.05984	27.0
162.06740	2.2
163.03712	0.7
163.07533	6.4
167.07076	1.0
173.05989	10.7
175.07483	1.2
177.05518	1.5
177.11140	0.8
178.07701	0.8
179.07036	1.5
181.05049	1.2
185.06029	3.9
190.07762	0.8
191.08525	4.0
197.13007	1.0
201.12270	1.0
202.07779	2.2
203.06972	1.1
203.08652	4.9
219.08101	6.4
220.08939	0.8
221.09564	1.7
229.11877	0.9
231.07976	5.5
237.09077	3.1
243.13379	1.4
247.07590	2.8
248.08260	1.0
249.09134	2.8
251.10660	4.4
259.07639	3.1
265.08606	3.7
277.08597	10.5
279.10168	3.5
285.99542	0.9
291.10242	2.0
297.11206	23.5
309.11209	8.0
315.13675	1.0
327.12149	1.4
402.69351	0.9
489.18826	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	488.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67102	0.6
53.03954	1.0
55.05503	1.6
57.07060	1.3
59.04997	0.8
62.86459	0.6
64.61590	0.7
67.05505	10.5
68.05034	0.7
69.07066	8.9
70.06592	100.0
71.04991	6.5
71.59182	0.7
73.06548	1.3
79.05489	5.3
81.07056	40.3
82.07395	2.4
83.08577	0.9
84.08132	1.3
86.09705	1.8
88.52121	0.7
91.05494	1.5
93.07052	7.0
94.06580	2.5
95.04967	10.3
95.08601	13.5
96.08961	1.3
97.02911	0.9
105.07069	0.8
107.08603	7.1
109.02918	1.0
109.10184	1.9
112.07602	22.6
113.06020	0.7
119.08591	0.9
120.08087	0.6
127.03922	2.8
130.08614	3.1
130.14877	0.6
133.10149	1.1
134.74075	0.6
135.11687	10.2
136.07631	0.8
137.13258	7.3
138.13617	1.1
145.02872	0.6
153.12749	26.3
154.08640	1.3
154.94229	1.7
159.11667	0.9
160.93488	0.6
163.03963	2.1
172.09737	1.7
172.95230	4.0
177.05545	0.7
178.08678	1.7
190.96300	1.3
202.41951	0.6
216.08765	1.7
219.17426	0.7
220.09758	1.2
222.22261	1.0
238.10779	2.8
245.91771	0.7
252.91890	3.2
254.18419	0.7
256.11792	7.3
262.02298	0.7
269.43991	0.7
270.92892	5.0
274.12857	12.6
291.06934	0.9
292.13882	8.1
300.10657	5.1
309.07843	0.9
318.11819	20.6
336.12900	19.1
371.03320	3.8
389.04471	1.6
407.84354	0.6
444.25836	4.3
487.42203	0.7
488.22479	10.1
507.16144	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	488.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01871	5.9
55.05505	3.0
56.96558	1.4
57.03449	4.7
61.02921	5.2
61.16945	0.9
67.05503	17.3
68.02370	1.0
68.99785	1.7
69.03425	29.2
69.07059	4.9
71.04987	4.1
73.02923	4.8
79.05479	7.9
81.03412	18.9
81.07050	31.1
83.01343	1.2
83.04997	1.1
83.08617	3.1
85.02900	97.2
87.00823	33.2
88.18603	0.8
91.03953	1.9
91.05474	3.4
93.07047	14.7
95.08604	51.0
96.08932	1.6
97.02885	26.2
97.10155	1.8
99.04443	10.4
105.01859	100.0
105.07015	4.4
107.08585	14.7
108.04505	1.7
109.02879	21.9
109.10150	46.6
110.10497	1.7
111.04449	1.1
115.03898	1.2
117.01887	1.7
119.08585	5.4
121.10116	10.1
121.88127	1.1
123.02853	1.3
123.11709	16.7
127.03912	70.6
127.76860	1.0
129.01833	3.1
131.08644	1.2
133.10172	1.9
134.10439	1.1
135.11682	24.8
145.04953	30.7
146.75008	0.9
147.02878	2.0
147.11775	2.3
149.13258	33.7
159.02895	13.0
163.14714	2.6
189.03954	4.3
203.17955	6.2
204.18291	2.9
205.19542	45.8
206.19908	1.1
213.03877	5.2
225.75740	1.0
231.04993	30.3
231.07227	1.9
248.07536	1.9
249.06029	18.3
266.08713	1.1
272.33759	1.0
453.24756	1.3
488.26996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01875	1.8
57.03437	2.0
61.02917	3.5
68.59130	0.8
69.03437	12.8
69.76817	2.0
69.77237	4.4
71.05003	5.8
71.42197	0.8
73.02925	4.3
81.03418	16.5
81.07089	1.2
83.04972	1.6
85.02910	57.1
91.05459	1.3
93.07039	2.2
95.08614	1.2
97.02898	40.2
98.21459	1.8
99.04462	42.5
103.03950	65.9
107.08598	1.0
109.02883	21.7
109.10172	1.8
110.50443	1.0
115.03925	1.6
119.08597	1.0
123.04452	2.1
125.09650	0.9
127.03925	100.0
133.10133	1.0
135.49695	0.9
145.04967	60.4
163.06027	33.6
163.07404	1.9
169.04990	2.4
187.06113	4.1
205.07118	2.1
217.07202	1.3
217.86380	1.0
231.10109	1.4
247.08136	1.1
253.07213	1.8
255.10185	1.4
271.08176	10.7
279.04733	0.9
289.09201	5.9
307.10220	2.8
322.30783	0.9
452.08670	1.1
504.87006	0.9
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
54.32385	0.5
55.05497	1.6
59.04995	1.1
60.37599	0.5
65.03951	0.7
67.05505	7.9
68.05021	0.6
69.03402	0.6
69.07072	3.1
70.06590	100.0
71.04996	7.1
71.59119	0.7
71.89252	0.5
72.08138	0.6
73.06556	1.5
79.05499	3.0
81.03456	0.9
81.07051	9.7
83.08642	1.5
84.08140	1.5
85.02906	1.1
86.09698	1.3
87.05633	0.6
87.16479	0.5
89.03925	0.6
91.05483	1.7
93.07045	7.7
94.06593	2.4
95.04963	10.2
95.08615	1.3
97.02911	1.0
97.06544	1.5
98.97620	0.6
107.08582	7.1
109.02842	0.8
109.10190	1.0
110.06038	1.1
112.07603	18.9
112.08350	1.1
114.05563	1.6
117.03431	0.5
127.03876	2.8
130.08647	3.1
135.04449	0.8
135.11694	8.9
136.07545	1.2
145.02899	0.7
146.03127	0.6
153.12741	25.9
163.03917	4.1
164.04350	0.8
172.09720	2.1
178.08652	1.2
179.07048	0.8
201.00786	0.8
214.10832	0.9
216.08696	1.1
220.09683	0.9
221.41335	0.5
238.10655	3.0
256.11786	6.7
274.12805	11.1
292.13898	7.7
300.10776	7.3
318.11826	24.8
336.12927	27.3
444.26077	2.8
470.25620	0.8
488.24686	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	487.342
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
52.51492	4.5
53.03947	4.6
55.05511	14.2
67.05506	26.1
69.03430	7.7
69.07082	22.1
70.77341	9.6
70.77711	9.4
71.04987	10.4
73.02920	4.5
79.05499	21.3
81.03419	8.9
81.07054	58.5
83.04998	9.1
83.08614	9.1
85.02908	41.4
91.05460	30.8
93.07046	45.2
95.04970	17.5
95.08605	100.0
96.08920	5.0
97.02885	12.8
97.06508	9.9
99.04450	4.8
105.01871	5.2
105.07025	66.2
107.08599	67.5
109.06543	13.1
109.10159	55.8
111.04428	5.8
111.08128	6.0
117.07137	9.9
119.08572	69.9
121.06508	17.9
121.10145	46.9
123.08106	13.5
123.11717	18.1
124.21182	6.8
127.03906	24.3
129.05452	4.4
129.06961	5.2
131.08548	33.4
133.10127	51.9
135.08070	14.2
135.11722	29.8
137.06020	5.4
137.09610	6.8
137.13307	10.3
142.07741	5.5
143.08536	8.4
145.02908	4.9
145.04984	13.1
145.10127	43.9
145.32269	4.9
147.08093	12.6
147.11691	39.2
149.09641	10.1
149.13254	31.6
151.07530	5.9
156.09280	4.6
157.10121	17.4
159.08047	7.9
159.11681	26.2
161.09607	13.5
161.13242	25.3
163.03888	16.1
163.06097	5.1
163.11212	37.1
163.14818	33.2
165.12723	11.6
166.05930	4.4
171.11705	15.3
173.09685	6.3
173.13258	41.0
175.11224	13.0
175.14809	37.0
177.12733	12.5
177.16400	32.6
185.13321	15.2
187.14842	37.2
189.12769	9.1
189.16379	56.6
191.14323	22.6
191.17973	14.8
197.13373	5.0
199.14861	13.1
201.12753	10.1
201.16444	26.8
203.14334	45.8
203.17957	97.9
205.15865	5.3
205.19508	8.7
213.16318	11.8
215.14340	6.1
217.15897	10.1
219.13937	11.8
221.15384	7.1
221.19031	11.7
229.15918	6.9
233.15376	7.0
235.16927	10.0
237.14763	5.8
245.15381	6.5
247.16948	13.7
249.18465	11.0
255.17369	5.3
387.30701	9.2
395.33359	5.7
405.31470	32.9
413.30573	70.9
423.32513	74.6
424.32761	6.0
441.33652	94.5
442.34122	7.7
451.32184	29.5
469.33020	13.9
470.97479	6.2
487.24747	5.7
487.32541	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3419
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.01851	3.4
55.05508	16.5
57.07062	5.6
67.05503	24.4
69.03409	3.7
69.07072	22.3
69.78005	20.4
70.06581	2.9
71.01345	2.8
71.04980	3.8
79.05494	26.3
81.07058	82.3
83.08617	9.7
85.06544	4.8
86.09691	6.4
91.05491	22.8
93.07046	44.2
94.21077	3.0
95.04961	7.3
95.08605	85.2
97.02908	2.9
97.06522	12.4
97.10191	6.6
98.21401	4.6
99.08112	3.8
105.07036	66.3
107.08595	76.8
109.06484	7.0
109.10155	48.2
111.08075	5.9
117.07016	8.8
119.08579	100.0
121.06503	4.6
121.10142	57.2
123.08081	6.3
123.11684	13.0
125.09601	18.1
129.07022	7.3
131.08580	34.7
132.46988	3.2
133.10146	54.7
135.08022	4.1
135.11687	41.5
137.06075	3.2
137.09630	4.7
137.13222	16.3
143.08559	14.4
145.10127	71.2
147.11700	38.5
149.09650	5.9
149.13263	18.1
155.08554	5.2
155.14258	3.8
156.09325	3.6
157.10114	21.3
159.11684	62.5
161.09660	5.7
161.13228	44.7
163.03865	10.2
163.07515	5.2
163.11197	8.9
163.14836	16.7
165.12730	4.8
169.10086	6.1
170.10892	3.4
171.11636	23.1
172.12379	3.8
173.13260	45.6
175.11195	4.2
175.14842	52.7
177.05507	4.8
177.16388	14.8
179.14326	7.3
183.11737	5.6
185.13306	26.6
185.15880	3.4
187.14792	46.1
189.12805	7.0
189.16402	31.9
191.14314	16.9
191.17953	13.1
193.15884	19.0
197.13277	11.2
199.14801	42.5
201.16391	70.7
203.14313	11.5
203.17998	8.0
205.15884	14.7
207.17561	7.0
211.14867	8.2
213.16403	28.9
215.17969	11.1
217.15962	25.7
219.13773	7.0
219.17438	45.9
221.15367	8.9
223.14783	4.8
225.16405	5.4
227.17923	7.4
229.15921	7.2
231.17450	18.5
233.19003	4.0
235.10950	4.4
235.17023	3.4
237.18565	4.0
241.19495	6.8
245.15398	9.5
245.19019	8.7
251.16356	4.8
252.66911	3.2
259.20569	3.9
263.16452	8.6
265.18124	3.2
267.21100	3.4
275.16211	5.9
277.17960	11.9
297.21909	4.2
305.21143	4.1
343.08417	3.3
343.22687	13.8
345.24347	5.4
345.78748	3.2
357.24228	6.8
375.30640	3.5
393.31433	13.3
405.31448	25.5
411.32523	7.1
423.32681	43.7
433.31036	7.3
439.31729	14.7
441.33658	9.8
451.31976	51.6
456.58261	3.7
457.33203	6.4
469.33255	35.4
487.21494	24.5
487.34158	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	487.3419
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.35528	5.3
53.47769	4.6
54.15674	4.8
55.05504	15.7
56.87558	5.0
57.03427	8.5
57.07077	8.2
57.14032	5.7
65.03951	4.6
67.05504	24.2
69.03425	7.9
69.07070	24.4
70.07959	31.8
71.04974	11.3
79.05504	35.3
81.03409	6.8
81.07064	100.0
83.08612	17.0
85.02908	16.7
85.06550	10.5
86.09698	12.7
91.05485	40.6
93.07043	83.8
95.01280	5.4
95.04987	6.1
95.08617	86.0
97.02908	9.0
97.06535	14.8
105.07033	82.3
107.08603	78.4
109.06498	6.5
109.10157	52.7
111.08067	9.2
117.07040	16.6
119.08581	94.1
121.06522	71.9
121.10153	62.6
123.08081	9.6
123.11680	16.9
125.09615	11.2
127.03857	5.5
129.07028	10.3
131.08569	56.5
133.10135	58.4
135.08081	8.6
135.11710	31.9
137.05972	20.2
137.13254	22.4
141.01808	6.3
143.08578	20.4
145.10132	85.3
147.11668	34.8
149.09602	12.7
149.13290	19.0
155.14326	7.1
157.10106	28.1
159.11703	84.5
161.09651	16.6
161.13289	53.0
163.03888	41.1
163.11185	8.6
163.14819	24.1
169.10126	6.2
170.10855	5.9
171.11737	18.5
173.13268	57.5
175.14822	46.8
177.12762	16.4
177.16380	16.4
179.14282	9.0
183.11752	8.0
185.13245	27.7
187.14847	70.6
189.12723	16.4
189.16418	46.3
191.14337	47.4
191.17944	9.3
193.15904	16.3
197.13159	8.3
199.14824	33.8
201.16405	72.0
203.14375	21.3
203.17947	16.6
205.15900	40.3
207.13708	7.2
211.14943	6.9
213.16354	17.5
215.17955	18.2
217.15886	20.0
219.13841	18.8
219.17468	36.3
221.15405	28.8
227.17982	7.8
231.13829	7.5
231.17531	17.6
243.06465	5.7
245.18968	8.5
277.17862	7.2
293.17590	5.8
307.26410	6.0
311.12955	7.4
311.18640	8.4
343.22662	11.7
381.31650	8.6
393.31393	34.2
396.39417	6.3
405.31482	42.0
411.32635	15.6
421.30801	11.5
423.32657	48.5
433.30969	11.8
439.32159	26.4
441.33606	21.6
451.32108	50.6
457.33020	13.1
469.33078	34.5
484.97269	5.7
487.21588	84.4
487.34076	22.5
488.21808	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	487.3423
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03939	2.1
55.05505	14.0
57.03454	2.4
57.07078	4.4
59.32362	1.8
67.05508	25.0
69.03411	5.7
69.07069	16.7
71.04987	5.8
71.61292	3.4
79.05495	22.8
81.03408	2.9
81.07060	57.4
83.08613	8.0
85.02896	6.7
85.06554	5.4
85.31245	1.8
86.09703	6.6
91.05476	29.1
93.07049	47.3
95.04977	5.7
95.08611	78.4
97.02881	3.8
97.06540	6.5
97.10160	5.7
99.08113	4.0
103.05479	2.9
105.07031	60.9
107.08594	73.2
109.06522	5.1
109.09464	3.6
109.10165	46.7
109.10904	2.9
111.08076	6.5
113.09638	1.7
117.07034	14.3
119.04924	2.8
119.08584	100.0
121.06554	4.7
121.10143	50.0
123.08041	5.6
123.11690	16.2
125.09635	22.1
128.06172	3.4
129.07008	7.0
130.07848	2.9
131.08562	39.9
133.10133	57.2
135.08073	2.4
135.11690	30.8
137.05972	10.9
137.09634	6.7
137.13261	2.5
142.07777	4.7
143.08571	15.3
144.09320	3.4
145.05022	1.9
145.10126	82.5
147.04376	3.5
147.11694	34.5
149.09616	5.7
149.13257	15.8
151.11180	6.3
155.08521	4.0
156.09349	2.2
157.10135	25.6
158.10959	4.6
159.11697	61.7
161.09627	2.4
161.13268	38.8
163.07620	4.8
163.11176	7.0
163.14825	15.8
165.12775	5.9
169.10117	7.4
170.10947	3.2
171.11694	20.0
172.12427	4.0
173.13284	40.9
175.07559	5.1
175.11174	3.4
175.14828	43.5
175.16240	1.7
177.12773	5.1
177.16325	10.2
179.14302	5.3
181.10146	2.5
183.11751	6.8
185.13266	17.8
186.14090	3.5
187.14816	53.6
189.09091	2.2
189.12733	4.6
189.16405	27.0
191.14308	17.7
191.17928	7.7
193.15887	23.2
197.13205	11.2
199.07625	3.3
199.14821	35.6
201.12607	3.0
201.16385	64.9
203.14397	11.1
203.17912	12.5
205.15881	18.3
207.17555	3.1
209.13307	3.1
211.14827	6.6
213.12697	2.4
213.16400	24.6
215.14191	5.2
215.17973	7.8
217.15883	24.1
219.13913	5.3
219.17429	46.9
221.15388	11.9
223.17064	2.7
225.16440	4.2
227.17932	7.7
229.15981	5.1
231.17422	24.4
231.20972	2.0
233.19012	4.7
235.16895	2.6
237.14673	3.7
237.18607	2.8
239.17986	5.7
241.19414	3.8
243.13483	2.3
245.15414	6.4
245.18932	7.2
247.16869	3.9
251.16486	3.1
253.19417	3.2
257.19202	2.2
259.16891	2.4
259.20633	4.6
261.14880	3.8
263.16513	5.6
271.20786	3.3
271.24167	2.0
275.16257	2.9
277.18002	12.4
277.21014	1.9
279.21243	2.7
289.25192	2.7
297.22198	5.5
299.20300	2.3
299.23685	5.6
303.19864	2.9
307.26395	5.4
343.22620	16.5
345.24332	3.2
357.24292	8.4
359.25800	2.7
371.25977	3.2
377.50809	2.2
387.30386	5.7
393.31564	7.7
395.33252	4.9
405.31686	23.8
407.32950	4.8
411.32544	5.9
423.32639	36.8
425.34122	3.0
433.31146	3.4
439.32181	13.8
441.33664	7.3
451.32101	47.1
452.31812	2.1
469.33041	41.6
487.34155	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80071	1.4
51.95999	1.2
55.05502	3.0
56.11856	1.4
56.96571	2.1
62.51493	1.2
67.05501	6.8
68.99747	1.4
69.03408	1.6
69.07063	3.0
70.06583	2.3
70.77553	1.4
71.11810	1.7
71.12151	2.8
74.25598	1.4
79.05476	5.2
81.03428	1.7
81.07034	7.1
85.02901	3.1
89.31161	1.3
91.05480	6.3
93.07040	5.6
95.08598	15.1
96.08972	1.6
105.07043	9.8
106.07365	1.7
107.04884	1.4
107.08601	6.9
109.02867	2.5
109.10154	7.6
111.04475	3.7
117.07066	2.2
119.08567	19.1
120.08869	1.9
121.10133	3.8
123.04374	1.9
123.08025	1.6
123.11633	1.9
124.42867	1.5
127.03905	12.3
131.08571	2.3
133.10133	9.6
135.11671	3.0
137.09555	2.0
139.03868	2.9
143.08557	1.5
145.10118	2.1
147.11670	6.3
148.11938	2.1
153.01883	1.4
154.94142	1.4
155.03386	25.3
155.08488	1.6
157.10056	2.1
159.08034	1.7
159.11649	2.8
169.10159	1.8
170.05737	100.0
171.06454	5.2
171.11652	2.6
172.95236	7.8
173.13211	2.3
183.06544	5.4
183.11665	1.8
187.14882	1.9
190.96292	4.9
197.13121	1.7
203.17978	4.0
204.18356	3.7
214.69495	1.5
221.07961	1.8
228.97847	2.7
239.18211	1.7
250.53432	1.5
264.77432	1.5
281.18887	3.6
299.20016	11.2
315.16110	1.5
333.17517	3.7
469.16644	9.6
469.25897	2.2
487.21390	4.2
487.31149	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74328	2.0
53.03948	12.3
55.01862	8.5
55.05507	25.8
57.03421	8.7
57.07072	14.0
59.04992	2.5
61.02918	5.8
67.05228	2.0
67.05512	22.5
68.99768	2.9
69.03429	35.2
69.07069	49.5
70.97609	2.9
70.97954	4.5
71.04992	21.3
71.08623	1.8
73.02908	6.1
78.50285	1.8
79.05502	17.0
81.03418	33.7
81.07056	56.9
83.05015	3.5
83.08610	24.6
85.02905	60.2
85.06561	2.4
86.09699	3.5
87.00831	30.3
87.87492	1.9
91.05471	16.0
92.48322	1.9
93.06470	3.4
93.07040	54.1
95.04967	7.9
95.08052	3.0
95.08607	42.2
97.02892	21.9
97.04060	1.8
97.06521	12.2
97.10160	7.7
99.04440	12.1
99.08103	7.4
105.01855	17.9
105.07024	24.6
107.08594	68.4
109.02881	21.2
109.06522	6.3
109.10160	38.1
111.04383	2.3
111.08083	5.4
111.11717	8.7
113.09626	2.7
115.03925	8.7
117.01886	3.2
117.07007	3.0
119.08578	33.0
121.06491	5.4
121.10137	30.6
123.08047	16.9
123.11700	28.6
125.09619	7.7
125.13276	17.3
127.03921	36.2
127.11181	6.9
129.01831	4.2
131.08545	6.6
133.02934	2.1
133.06488	2.4
133.10129	23.7
135.04399	3.3
135.08029	2.6
135.11694	64.6
137.05983	7.0
137.09605	9.3
137.13231	8.8
139.11185	4.6
142.07727	2.7
143.08533	4.2
143.10683	6.2
145.02896	2.1
145.04948	11.5
145.10103	7.4
147.08057	2.1
147.11723	18.8
149.13261	33.5
151.11160	5.2
151.14827	2.5
153.12755	26.7
157.10106	5.8
159.02896	15.0
159.08002	2.4
159.11684	9.8
161.13289	11.0
163.03908	16.0
163.11232	2.7
163.14780	7.4
165.12749	3.2
167.08556	2.4
169.10104	4.7
171.08008	3.1
171.11652	4.9
173.13266	3.9
175.11290	2.1
175.14815	4.1
177.12759	2.9
177.16383	4.4
183.11783	2.3
185.13307	2.4
187.14713	2.7
188.15443	2.1
189.03841	2.2
195.11665	1.9
197.13026	2.3
201.03922	3.2
201.12692	3.1
201.16376	3.1
203.17972	36.0
205.19540	14.7
215.17929	2.4
219.04839	3.1
221.19002	100.0
222.19272	3.0
223.20607	4.7
225.12729	3.6
231.05000	6.6
233.18980	6.3
239.20113	6.8
243.13782	2.8
245.18924	3.9
247.04561	2.4
311.20139	4.6
329.21057	5.8
415.21161	3.0
433.22052	4.9
441.33478	6.0
451.23413	4.6
469.15656	2.2
469.24075	3.2
487.17923	5.3
487.25348	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	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
55.01864	8.7
55.05510	21.2
55.36661	2.4
57.03428	8.8
57.07071	11.4
61.02932	5.6
67.05501	19.5
68.99799	2.7
69.03428	30.9
69.07067	48.2
69.40079	24.4
71.01341	2.3
71.04985	21.6
73.02917	6.7
73.83450	2.7
79.05480	13.0
81.03419	24.2
81.07050	53.9
83.04977	4.9
83.08620	23.4
85.02902	62.6
85.06552	3.3
86.09705	4.8
87.00817	22.7
87.04449	2.9
91.05468	14.7
93.07032	53.6
95.04993	5.9
95.08604	49.3
97.02877	17.5
97.06532	14.8
97.10162	4.7
99.04468	6.1
99.08092	6.7
103.03935	3.1
105.01863	18.8
105.07034	21.9
107.08581	58.2
109.02876	24.6
109.06520	6.1
109.10149	32.0
111.08082	5.8
111.11719	7.6
114.47066	2.4
115.03938	9.0
117.06992	3.5
119.08578	29.5
121.10140	25.9
123.08092	14.5
123.11712	28.7
125.09648	3.5
125.13272	15.0
127.03905	31.9
127.11231	5.7
127.72591	2.3
129.01851	6.4
131.08543	4.6
133.10127	21.9
135.11682	63.6
137.05936	4.9
137.09636	8.0
137.13239	10.8
139.11160	3.5
143.08586	2.5
143.10722	5.0
145.04961	9.4
145.10124	5.9
147.02838	2.7
147.11658	18.6
149.13258	29.5
151.11186	4.0
153.12732	26.3
157.10168	8.5
159.02917	10.0
159.11719	11.2
161.13283	13.1
163.03929	4.2
163.14859	5.2
165.12779	3.2
166.91568	3.1
169.10176	2.7
171.11728	3.2
175.11238	3.1
175.14700	3.0
177.16313	3.2
185.13220	3.5
201.03923	5.1
201.16338	3.6
203.17970	31.6
205.19476	15.9
211.14970	2.6
219.17447	3.1
221.18993	100.0
225.12846	3.7
231.04985	8.9
233.18999	5.7
239.20027	11.5
247.04413	4.3
311.20154	4.0
329.21179	4.8
433.22369	3.9
451.23438	4.4
455.14709	3.0
463.81808	2.7
469.24417	4.5
487.18130	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	487.2301
Annotation	Verrucarin K
Peak:m/z	Relative Intensity
55.01888	2.5
55.05500	3.4
59.05005	2.8
67.05502	12.0
69.07059	3.3
71.57677	3.6
79.05482	7.6
81.07061	12.6
83.01062	3.6
83.04970	2.2
91.05477	10.4
93.07059	13.3
95.04964	3.8
95.08601	12.5
105.07024	10.9
107.08586	14.5
109.10166	7.6
111.00581	3.2
111.04414	4.4
117.03394	5.0
117.06993	4.3
119.08560	14.0
121.10149	10.4
123.11728	4.2
131.08566	4.3
133.02612	100.0
133.03642	4.8
133.10130	11.1
135.07990	2.5
135.11658	6.1
143.08604	5.0
144.23022	2.5
145.02852	9.6
145.10118	7.9
147.11665	8.0
151.03760	3.1
157.10138	5.6
159.11702	6.0
161.09683	2.8
171.02618	3.9
171.07695	2.6
171.11710	5.0
173.13239	5.1
173.83739	2.8
177.05479	23.0
183.11789	2.6
230.16365	2.5
339.19290	92.8
340.20004	5.9
357.20407	9.8
380.21918	15.3
427.20966	17.1
431.93378	2.3
487.23038	78.5
487.34003	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	487.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.6
56.96560	14.0
67.05511	7.5
67.73405	2.4
69.07076	4.7
71.59361	4.2
79.05489	3.5
81.07053	7.4
83.04971	2.6
83.08627	3.0
85.52006	2.3
93.07043	2.3
95.08572	5.9
105.07080	3.5
107.08624	3.5
109.10170	2.9
124.33716	2.5
136.93137	8.0
146.99646	2.3
150.95593	55.3
150.96700	4.6
154.94208	14.8
168.95728	12.4
172.95235	41.2
186.96790	100.0
186.98489	5.1
190.96257	20.9
195.96826	4.5
204.97849	88.4
209.98410	16.8
210.96797	5.1
224.98433	7.3
226.99893	3.8
227.99481	10.6
228.97827	13.6
233.00005	2.9
233.98366	2.8
242.99495	17.4
245.01105	3.7
266.01108	4.7
310.86685	2.6
319.19360	21.8
335.19019	3.2
337.20502	60.5
337.27396	8.7
355.21539	3.8
360.22034	17.7
413.17618	7.4
427.19275	7.4
431.18716	8.4
445.20218	3.4
455.18417	12.1
469.20166	10.4
473.19806	73.3
487.21722	98.4
496.21341	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	487.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01869	8.1
55.05505	8.6
57.03428	13.5
57.07097	2.7
65.03934	3.7
67.05505	19.8
69.03418	14.7
69.07069	10.4
69.48856	7.6
69.49284	15.0
71.01360	23.3
71.05019	13.5
73.02914	32.7
74.61702	2.8
75.04491	4.2
79.05497	35.7
81.03440	3.5
81.07060	64.4
83.01365	4.2
83.04984	7.3
83.08615	5.4
85.02911	70.3
85.06544	97.7
85.07645	5.0
85.68812	2.2
91.05486	36.7
93.07043	94.0
95.01332	21.3
95.04968	16.2
95.08607	43.3
96.51892	2.3
97.02888	13.2
97.06525	15.1
99.00822	5.9
99.04451	9.2
99.08128	6.3
101.02364	13.9
101.06040	4.9
103.03965	9.6
105.07029	50.9
107.04953	7.4
107.08590	29.7
109.06511	18.2
109.10150	10.0
111.08083	23.4
113.02379	20.1
113.06026	3.2
115.05501	2.8
117.07006	18.9
119.08583	42.0
121.06507	100.0
121.10139	51.1
123.08083	9.2
123.11724	3.7
125.09634	3.6
127.07567	10.2
129.05460	6.1
129.07016	11.0
130.07773	2.6
131.03406	18.1
131.08560	46.9
133.10123	23.2
135.08069	12.1
135.11678	8.9
137.05986	5.3
137.09612	6.1
139.07539	6.6
141.01831	49.2
141.06984	5.0
142.07813	7.3
143.08600	11.5
144.09349	7.8
145.06476	12.8
145.10124	40.0
147.04443	4.4
147.08052	7.6
147.11671	28.9
149.02356	21.3
149.09627	9.2
149.13260	7.9
155.08569	9.5
157.10130	26.3
158.10890	6.6
159.02928	4.7
159.08067	32.2
159.11696	90.9
161.09688	7.1
161.13269	10.0
163.03960	21.1
163.07562	3.9
163.11189	5.1
163.14877	4.4
168.09351	9.5
171.11679	7.2
172.08861	4.8
173.08121	7.3
173.09651	18.7
173.13271	86.5
175.11201	16.7
175.14754	6.1
177.12761	26.3
177.16374	4.6
183.11699	27.2
185.13284	5.4
187.14772	6.0
189.12810	10.4
191.14357	25.2
197.13268	2.8
199.14775	3.9
201.12752	99.8
201.16397	7.2
203.14336	12.4
213.16306	3.3
215.17946	3.0
219.13809	97.4
223.09683	3.9
237.14880	18.3
248.20813	2.5
293.17474	66.1
311.18524	50.3
335.18875	3.0
423.32794	5.1
441.33759	3.0
451.31927	5.9
469.20432	9.1
487.21832	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	487.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01869	8.1
55.05505	8.6
57.03428	13.5
57.07097	2.7
65.03934	3.7
67.05505	19.8
69.03418	14.7
69.07069	10.4
69.48856	7.6
69.49284	15.0
71.01360	23.3
71.05019	13.5
73.02914	32.7
74.61702	2.8
75.04491	4.2
79.05497	35.7
81.03440	3.5
81.07060	64.4
83.01365	4.2
83.04984	7.3
83.08615	5.4
85.02911	70.3
85.06544	97.7
85.07645	5.0
85.68812	2.2
91.05486	36.7
93.07043	94.0
95.01332	21.3
95.04968	16.2
95.08607	43.3
96.51892	2.3
97.02888	13.2
97.06525	15.1
99.00822	5.9
99.04451	9.2
99.08128	6.3
101.02364	13.9
101.06040	4.9
103.03965	9.6
105.07029	50.9
107.04953	7.4
107.08590	29.7
109.06511	18.2
109.10150	10.0
111.08083	23.4
113.02379	20.1
113.06026	3.2
115.05501	2.8
117.07006	18.9
119.08583	42.0
121.06507	100.0
121.10139	51.1
123.08083	9.2
123.11724	3.7
125.09634	3.6
127.07567	10.2
129.05460	6.1
129.07016	11.0
130.07773	2.6
131.03406	18.1
131.08560	46.9
133.10123	23.2
135.08069	12.1
135.11678	8.9
137.05986	5.3
137.09612	6.1
139.07539	6.6
141.01831	49.2
141.06984	5.0
142.07813	7.3
143.08600	11.5
144.09349	7.8
145.06476	12.8
145.10124	40.0
147.04443	4.4
147.08052	7.6
147.11671	28.9
149.02356	21.3
149.09627	9.2
149.13260	7.9
155.08569	9.5
157.10130	26.3
158.10890	6.6
159.02928	4.7
159.08067	32.2
159.11696	90.9
161.09688	7.1
161.13269	10.0
163.03960	21.1
163.07562	3.9
163.11189	5.1
163.14877	4.4
168.09351	9.5
171.11679	7.2
172.08861	4.8
173.08121	7.3
173.09651	18.7
173.13271	86.5
175.11201	16.7
175.14754	6.1
177.12761	26.3
177.16374	4.6
183.11699	27.2
185.13284	5.4
187.14772	6.0
189.12810	10.4
191.14357	25.2
197.13268	2.8
199.14775	3.9
201.12752	99.8
201.16397	7.2
203.14336	12.4
213.16306	3.3
215.17946	3.0
219.13809	97.4
223.09683	3.9
237.14880	18.3
248.20813	2.5
293.17474	66.1
311.18524	50.3
335.18875	3.0
423.32794	5.1
441.33759	3.0
451.31927	5.9
469.20432	9.1
487.21832	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	487.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01885	1.7
55.05512	1.5
56.96569	1.6
57.03437	5.4
67.05512	3.1
69.03439	8.3
70.06588	1.7
71.01348	4.9
71.04989	9.4
71.58616	1.1
71.59044	2.1
73.02910	5.5
77.73299	1.3
79.05496	6.1
81.03432	2.1
81.07064	5.6
83.01327	1.8
83.04974	2.4
84.08153	1.7
85.02911	19.2
85.06542	14.7
85.07676	3.9
86.09727	3.2
89.03939	3.2
91.05479	14.1
93.07050	58.3
95.01355	7.1
95.04974	5.7
95.08611	5.2
97.02887	9.4
97.06536	5.1
98.97588	6.1
99.00834	2.3
99.04473	1.5
99.08092	3.1
101.02369	2.3
103.03949	2.8
103.05473	1.6
105.07031	7.4
107.04984	1.9
107.08575	6.5
109.02869	1.4
109.10188	1.8
111.04419	1.4
111.08102	4.0
113.02392	5.0
116.98625	4.0
117.03387	4.7
117.06986	2.8
119.04912	2.4
119.08575	5.6
121.06510	100.0
121.10149	5.3
123.08071	1.9
125.05991	2.2
127.03922	4.2
129.07024	2.0
131.03403	4.0
131.08580	8.0
133.04982	1.6
133.06526	2.5
133.10162	4.4
134.99687	2.9
135.04416	10.5
135.08058	4.1
137.09625	2.8
139.07564	13.4
141.01833	10.5
144.09270	1.3
145.02847	10.3
145.05031	1.9
145.06519	3.0
145.10133	4.8
147.04425	2.7
147.11775	2.9
149.09633	2.9
157.10100	1.7
158.99692	2.7
159.02922	2.0
159.08067	3.2
159.11719	5.7
163.03914	73.2
163.07562	2.7
163.11241	2.0
164.04288	1.5
173.09573	1.5
173.13303	9.4
175.11169	1.6
177.00761	5.0
177.05498	2.8
177.12753	15.5
181.05055	1.9
183.11691	1.4
189.04187	1.5
189.12746	2.2
191.08186	4.5
191.14322	24.8
195.08548	1.2
195.10139	8.2
201.12761	9.3
213.11235	6.1
219.13828	23.9
293.17480	6.1
297.09647	2.9
307.08261	3.0
307.12527	1.9
311.18561	13.6
325.09167	9.8
325.13760	3.8
371.13748	1.5
415.42075	1.5
469.81619	1.5
487.21466	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	487.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28050	0.7
53.03951	2.3
55.01895	0.7
56.51305	0.7
57.03430	3.5
65.03963	1.0
67.05494	2.8
69.03436	3.6
69.07063	1.4
70.06609	1.0
70.16154	0.6
71.01347	4.2
71.04995	6.9
71.34428	1.4
73.02918	6.5
75.40901	0.7
79.05503	4.4
81.07060	4.7
83.01382	1.0
83.04992	1.2
85.02426	1.3
85.02910	13.2
85.06544	13.0
88.27007	0.7
91.05494	10.7
93.07047	51.9
95.01322	7.5
95.04984	3.5
95.08591	3.0
97.02889	2.6
97.06525	5.0
99.00851	1.3
99.08086	2.6
101.02393	0.9
103.03959	2.2
103.05406	0.9
105.07037	6.0
107.04966	1.0
107.08588	4.9
107.09193	0.7
108.89594	0.8
109.06541	1.8
111.08079	3.7
113.02357	4.3
117.07024	2.1
119.04951	1.3
119.08587	4.4
121.06509	100.0
121.10127	5.6
122.06817	0.9
123.08086	1.6
125.05984	2.3
129.69379	0.8
131.03412	3.0
131.08562	6.7
133.06444	1.3
133.10168	4.2
135.08044	3.4
139.07545	13.0
141.01833	11.0
145.06512	1.0
145.10155	4.8
147.04424	4.8
147.08061	1.6
147.11688	3.6
148.04755	0.8
149.09612	2.4
157.10158	2.4
158.10880	1.0
159.02896	2.9
159.08008	3.6
159.11673	5.7
161.06030	1.0
163.03918	4.7
163.07553	1.0
163.14867	1.0
173.09642	3.4
173.13249	7.8
175.11151	0.9
177.05495	2.6
177.12758	12.9
183.11737	1.3
189.12679	1.7
191.14317	23.1
195.10194	6.3
201.12791	6.9
213.11205	8.5
219.13806	20.0
233.08220	0.9
237.02832	0.8
237.14984	1.0
251.09229	0.8
255.12149	0.9
269.03159	1.0
293.17435	3.9
295.02621	0.9
297.09665	3.8
311.18500	9.6
325.13336	0.7
371.13428	1.3
487.22110	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	487.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.05500	2.0
57.03429	3.4
59.38201	1.3
67.05498	4.0
69.15262	1.3
71.01359	4.5
71.04996	5.6
71.24607	3.4
73.02921	7.0
74.84534	1.2
75.04483	1.4
79.05488	8.8
81.07048	9.1
83.04978	2.9
85.02906	16.9
85.06538	13.5
91.05480	8.5
93.07039	16.1
95.01344	9.6
95.04961	5.8
95.08608	6.0
97.06506	6.3
99.00802	1.9
99.04459	2.9
101.02379	2.5
103.03953	4.7
105.07034	25.5
107.08595	16.0
109.06562	1.5
109.10204	2.3
111.08125	2.0
113.02377	7.2
115.05331	1.4
117.07018	7.6
119.08580	12.2
121.06529	12.0
121.10182	4.6
123.08066	4.9
128.06238	1.6
129.07033	2.1
129.40135	1.3
131.03380	3.7
131.08572	30.3
133.06441	2.2
133.10124	6.5
135.08080	4.3
139.07475	1.5
141.01823	20.5
141.07069	1.8
143.08527	4.0
144.09357	2.5
145.06480	3.0
145.10152	16.0
147.11697	5.7
155.08560	5.0
157.10133	10.2
158.10954	1.7
159.02899	2.3
159.08083	4.7
159.11714	26.4
161.09642	1.5
161.13278	1.4
171.11659	2.4
173.09657	4.6
173.13284	42.8
175.11195	3.6
177.12741	9.3
183.11670	8.3
185.13181	1.4
189.12683	2.3
191.14336	24.0
201.12741	37.7
201.58923	1.5
219.13811	45.4
237.14894	3.6
275.16422	1.7
293.17484	100.0
311.18564	23.0
335.18518	1.7
377.15677	1.9
451.19608	2.9
469.20789	23.6
487.21732	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	487.215
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
60.17538	0.3
62.71559	0.2
67.05522	0.3
67.15624	0.2
69.03416	0.6
69.07079	0.3
69.86139	0.4
69.86543	1.2
70.06590	2.9
81.03411	0.4
85.02906	0.7
86.09708	0.9
89.03908	0.4
91.05475	0.4
93.00079	0.2
93.07011	0.4
95.04970	0.3
97.02886	0.6
105.48159	0.3
106.53918	0.3
107.08624	0.5
114.05508	0.3
117.03403	0.3
127.03903	0.8
135.04428	0.9
143.44162	0.3
145.02872	0.5
161.64946	0.3
163.03911	6.7
167.63109	0.2
175.11256	0.4
210.78780	0.2
225.07941	0.3
236.99348	0.3
275.07452	0.5
307.08237	0.5
333.07907	6.4
335.09476	4.1
355.17120	0.6
358.26035	0.3
387.13147	0.5
405.14417	0.4
460.83807	0.3
487.21506	100.0
488.21939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57854	0.5
52.44601	0.5
56.20443	0.4
61.02937	0.5
67.05494	1.4
69.03423	1.1
70.06590	12.1
71.59069	0.8
79.05499	1.0
79.06003	0.5
81.07057	1.0
84.08134	0.7
85.02888	1.6
85.06554	0.6
86.09698	1.9
87.28794	0.5
89.03926	0.8
91.05489	1.2
93.07037	1.4
95.04970	1.4
95.08593	0.6
97.02866	0.5
105.07014	1.1
107.08595	2.0
109.10203	0.5
112.07613	2.2
112.36575	0.6
117.03403	0.9
119.08607	0.8
121.10151	0.6
127.03928	0.5
131.08502	0.6
135.04391	1.5
135.11664	0.6
137.05986	0.9
145.02890	1.1
147.04404	1.1
159.11667	0.6
163.03908	7.8
164.04242	0.5
177.05487	0.9
178.25002	0.5
185.04196	6.2
185.05547	0.6
201.03818	0.6
203.05424	0.7
215.51685	0.5
221.08025	0.6
229.15903	0.5
239.09531	0.6
243.16850	0.6
256.11835	0.6
274.12851	0.6
275.07074	0.7
295.06143	0.9
303.04953	0.5
318.12042	0.6
324.02344	3.5
325.03003	3.2
333.07895	16.2
335.09439	15.6
336.12866	0.9
355.17365	0.7
361.04102	0.6
371.21170	0.5
387.69983	0.5
403.15912	1.3
426.24832	0.7
455.84988	0.5
470.23648	1.3
487.08554	60.3
487.21472	100.0
488.08682	4.8
488.22290	2.1
491.97256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2155
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
60.59551	0.3
67.05492	0.7
69.03445	0.4
69.07043	0.4
69.59503	2.5
70.06597	3.6
71.04986	0.6
73.02910	0.4
79.05491	1.1
81.07063	2.9
85.02917	2.3
85.06538	2.7
86.09702	1.4
89.03909	0.9
89.76582	0.3
91.05466	0.5
93.07041	2.4
94.20190	0.3
95.01328	0.5
95.04976	0.9
95.08611	1.6
97.02890	0.7
98.97562	0.6
105.07033	1.5
107.08599	1.0
109.02864	0.3
109.10156	0.6
116.98555	0.4
117.03365	0.7
118.21867	0.3
119.08577	1.3
121.06516	0.9
121.10155	1.9
123.08054	0.5
127.03916	0.4
131.08528	1.8
133.10114	0.6
135.04436	2.2
135.11644	0.6
137.13281	1.0
141.01820	1.4
143.08569	0.4
145.02826	1.7
145.10158	1.1
147.11752	0.5
153.12811	0.5
155.14368	0.4
157.10109	1.2
159.08073	0.6
159.11687	1.7
163.03903	11.9
164.04285	0.6
173.13249	2.8
175.11276	0.4
177.00607	0.5
178.10573	0.3
183.11688	0.5
199.14853	0.5
201.12741	2.7
203.05357	0.7
214.63483	0.4
219.10286	0.7
219.13773	1.9
221.15547	0.5
275.07416	1.0
293.17493	1.7
295.06146	0.6
311.18600	0.7
335.09491	11.2
336.12897	1.1
355.17294	5.7
413.14944	0.6
419.02252	0.4
469.20917	0.5
487.21515	100.0
488.21762	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.194
Annotation	Rutaevin
Peak:m/z	Relative Intensity
50.59322	0.7
54.14861	0.7
55.05497	1.5
56.96570	1.3
64.73910	0.7
67.05502	1.9
69.03429	1.6
69.07062	2.1
69.44688	7.7
70.06556	0.7
70.29380	0.7
70.81013	0.7
71.04989	1.3
72.95810	0.6
79.05492	2.1
81.03423	1.3
81.07052	8.5
83.08604	1.2
85.02903	2.1
86.09698	3.5
89.03934	1.3
91.05472	2.5
93.07034	2.3
95.04961	1.2
95.08608	4.8
97.02903	1.9
98.97588	2.9
102.87505	0.8
105.07021	3.9
107.04962	1.1
107.08603	3.1
109.02795	1.2
109.10139	1.8
110.97608	1.1
113.24378	0.7
116.98639	1.8
117.03349	1.0
119.08573	2.1
121.10133	2.9
122.37944	0.7
123.08047	0.8
123.11687	1.2
127.03910	1.7
128.07146	2.0
128.98596	2.3
131.08565	1.2
133.02882	1.5
133.10136	2.5
134.01239	0.8
134.99606	1.3
135.04398	1.8
135.11710	1.7
137.05974	1.6
145.02818	1.3
145.10127	1.6
146.99625	2.0
147.11668	1.7
159.11668	0.9
161.01324	0.8
161.05991	0.8
161.13213	1.0
163.03886	9.6
163.11180	1.0
165.05513	0.7
170.99657	1.8
173.13278	1.1
175.14760	1.0
177.00612	0.8
187.14806	0.8
189.00735	1.6
201.16400	1.5
203.17955	1.0
211.12062	0.8
221.15492	0.8
221.19012	1.0
231.01616	1.0
237.09076	0.8
249.02806	3.8
267.03989	1.1
291.03854	2.8
291.10208	0.9
335.09549	1.1
349.05096	3.6
367.14334	2.5
370.47958	0.8
469.16510	1.2
487.19388	100.0
487.32718	3.9
488.19547	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0846
Annotation	Tjipanazole E
Peak:m/z	Relative Intensity
51.64783	0.3
53.03918	0.3
55.05493	0.5
55.52814	0.3
61.02919	0.3
65.29230	0.3
67.05508	0.4
69.03423	0.5
69.49042	2.7
70.06595	1.5
70.37494	0.3
79.65635	0.3
81.03445	0.4
81.07065	0.5
84.08105	0.3
85.02898	0.7
86.09685	0.4
91.05458	0.4
93.07024	0.4
97.02882	0.7
98.20701	0.5
105.07063	0.3
119.08567	0.4
127.03942	0.5
137.06026	0.7
163.03879	1.6
167.06934	0.4
175.07526	0.4
185.04219	8.9
222.14000	0.3
239.09189	0.7
279.91602	0.3
303.04810	0.5
304.05289	0.3
311.12640	0.3
323.12729	0.4
324.02386	6.8
325.03168	5.1
333.07910	1.6
335.09445	1.4
366.05853	0.4
487.08478	100.0
487.21033	18.5
488.08923	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	486.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
55.47012	0.7
65.03925	1.0
67.05504	10.4
69.07069	2.7
70.05486	4.4
79.05492	4.0
81.07052	25.1
85.02906	2.1
91.05486	5.3
91.65215	0.7
93.07044	9.8
95.08604	29.1
97.02891	1.8
97.10162	1.3
105.01860	1.5
105.07031	15.5
107.08594	20.7
109.10159	25.0
111.11667	0.9
119.08581	22.0
119.45773	1.0
121.10130	9.3
123.11705	15.8
127.03910	2.0
131.08582	1.2
133.10144	10.6
135.11665	1.5
145.04976	1.7
145.10147	0.9
146.30215	0.8
147.11685	23.4
161.13264	7.9
175.14812	4.2
203.17953	100.0
204.18283	1.3
231.05032	1.8
244.61639	1.0
296.90652	0.8
364.61972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.8
54.73024	0.6
55.01856	1.9
55.05508	2.7
57.03420	2.4
61.02911	2.3
62.76641	0.5
66.27081	0.5
66.95348	0.5
67.05170	0.9
67.05505	12.9
68.99765	0.8
69.03085	0.5
69.03428	9.3
69.07068	3.9
70.11891	1.2
70.12283	2.0
71.01369	0.8
71.04990	1.4
73.02898	1.8
79.05482	5.9
81.03422	7.7
81.07053	22.8
83.08603	0.8
85.02901	30.4
87.00826	13.6
91.03935	0.7
91.05469	10.3
93.06478	0.7
93.07040	13.0
95.04957	1.2
95.08603	38.8
97.02886	12.8
97.10151	1.4
99.04438	4.6
105.01864	29.8
105.07025	24.4
107.08591	24.7
108.04464	1.6
109.02883	9.1
109.10152	32.9
111.11684	0.9
115.03976	0.7
115.05422	0.7
117.07040	0.9
119.08575	32.9
121.10141	11.8
123.11704	15.6
126.05485	0.8
127.03912	25.0
129.01819	1.2
131.08539	0.8
133.10126	14.2
135.11670	3.4
145.04955	15.2
145.10141	1.2
146.77831	0.7
147.02888	0.8
147.11682	33.4
154.07346	0.6
159.02878	5.4
159.11696	0.9
161.13246	9.7
168.06551	0.6
175.14803	4.7
189.03972	0.9
203.17949	100.0
204.18291	1.2
207.14107	0.6
213.03879	0.9
220.20653	2.4
220.87196	0.5
230.06660	1.0
231.04996	11.9
248.07692	1.3
249.06023	7.3
266.08948	0.9
284.09753	3.0
299.20471	0.6
312.23965	0.6
383.55148	0.6
433.22894	0.6
451.22919	0.9
486.26797	1.4
488.52615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20290	1.1
53.03943	3.1
55.01865	1.7
55.05502	6.3
57.07062	1.3
60.73046	1.2
65.03944	2.0
66.09383	1.4
67.05508	21.2
69.03431	6.2
69.07065	10.1
71.05038	1.1
71.58974	2.4
73.02911	2.1
79.05493	16.3
81.03428	7.3
81.07059	50.5
83.08604	2.1
85.02903	17.2
87.00828	6.7
91.05482	31.0
93.07047	20.8
95.05035	2.0
95.08606	45.7
96.08931	2.8
97.02878	7.2
97.10197	1.6
99.04453	3.6
105.01866	8.8
105.07028	63.5
105.44267	1.2
106.07365	2.2
107.08600	25.5
109.02853	6.0
109.10157	41.8
110.10471	2.1
116.95262	1.1
117.06998	3.4
119.08578	55.7
120.08907	1.9
121.10139	20.2
122.10511	1.3
123.11701	13.4
127.03910	17.2
131.08574	4.5
133.10135	31.3
134.10472	2.5
135.11717	4.6
145.04953	9.0
145.10114	5.6
146.10416	1.6
147.03067	1.4
147.11691	68.6
149.13268	3.2
159.02928	4.9
159.11728	3.0
161.09689	1.9
161.13246	15.2
162.13666	2.3
163.14839	1.7
163.56244	1.5
173.13370	2.7
174.13644	1.9
175.14864	7.4
187.14894	3.1
188.15155	1.5
189.12814	1.8
189.16408	2.7
190.16653	2.2
191.14180	1.4
191.32454	1.3
201.16389	3.1
202.16628	1.4
203.17961	100.0
204.18350	6.7
217.15840	1.2
231.04993	6.3
231.07135	1.5
249.05968	1.2
249.18509	1.5
378.32339	1.4
393.28403	1.4
394.31909	2.3
396.33463	2.0
422.31335	2.8
440.32510	18.5
451.33487	1.2
468.32135	2.3
486.32608	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3264
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05527	8.8
57.03428	1.7
57.07076	2.7
60.58110	1.7
65.03920	2.5
66.06192	1.6
67.05518	14.1
69.03432	4.8
69.07059	13.7
70.91649	4.1
71.04979	1.8
79.05495	9.4
81.07056	27.2
81.41298	1.7
83.04989	2.2
83.08604	4.7
85.02902	6.3
91.05460	10.6
93.07047	24.6
95.04982	2.4
95.08611	40.0
97.02907	2.7
97.06527	4.3
97.10173	5.0
105.07036	32.5
107.04960	1.9
107.08600	36.0
109.02879	3.1
109.06491	3.5
109.10168	31.9
111.08114	4.0
117.06966	2.6
119.04974	2.5
119.07793	3.3
119.08584	48.5
121.06500	9.2
121.10148	27.0
123.08063	2.9
123.11732	5.2
127.03859	4.5
129.05414	1.7
129.07045	2.9
131.08560	21.3
133.10133	33.6
135.08075	4.6
135.11678	16.5
137.06018	1.8
137.09546	3.3
138.86931	2.1
139.07544	3.0
143.08557	5.2
144.09355	2.1
145.10114	25.5
147.08057	4.8
147.11684	23.8
149.09618	2.4
149.13254	17.8
153.09149	2.6
156.09410	2.3
157.08669	2.9
157.10150	9.7
159.11690	18.8
161.09644	9.5
161.13263	22.1
163.11179	2.9
163.14810	20.6
169.10046	2.8
171.11710	8.1
173.09599	2.0
173.13269	25.8
175.11200	4.4
175.14830	25.7
177.12675	2.2
177.16420	14.7
179.10727	2.4
185.13271	7.8
187.14828	30.3
189.12766	24.7
189.14328	2.3
189.14668	2.7
189.16388	39.1
191.14342	20.0
191.17978	4.9
199.14859	10.3
201.16412	15.9
203.14354	5.9
203.17964	64.0
205.15839	2.7
205.19598	4.3
207.13838	1.9
213.16435	6.6
215.14340	3.7
215.17960	3.2
217.12154	2.7
217.15981	4.1
217.19536	1.7
219.13797	7.5
219.17458	7.2
221.15350	4.3
223.14873	2.2
225.16451	3.8
227.17929	3.9
229.15811	2.3
231.13837	3.7
231.17462	2.8
232.86186	1.6
233.15372	7.0
235.13322	16.9
235.16946	6.0
236.17139	2.1
237.14915	4.9
237.18376	2.6
245.15445	3.2
247.16977	4.6
249.05225	1.7
249.18527	4.8
263.16373	3.0
277.81888	1.7
281.22632	2.7
291.10336	2.3
309.20465	2.2
309.26062	1.9
351.12250	1.8
375.30704	3.8
377.31989	4.6
393.31445	20.1
395.33029	16.9
403.29562	2.0
403.52710	2.0
421.31015	19.5
423.32809	3.0
439.32089	100.0
449.30350	3.8
457.32919	2.9
467.31497	9.5
485.32849	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	485.3263
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05504	6.7
57.03139	2.0
57.07064	2.0
60.76017	2.0
67.05503	11.8
69.03417	3.2
69.07069	11.6
69.65121	13.6
79.05492	8.4
81.07073	18.5
83.04957	2.2
83.08614	4.4
85.02887	3.7
86.35268	2.1
91.05477	12.6
93.07054	21.8
95.08609	42.8
97.10194	2.3
98.21442	3.9
105.07033	40.2
105.11385	2.0
107.08595	41.4
109.10168	19.1
109.71817	1.9
111.05682	1.8
111.08088	2.4
117.07010	3.0
119.08578	37.8
121.06525	10.9
121.10149	24.9
122.37674	1.8
123.08069	4.5
123.11697	7.1
127.03939	3.6
128.71307	1.6
131.08591	16.3
133.10136	32.6
135.08018	3.2
135.11676	15.5
137.05957	2.5
141.48344	2.2
143.08542	5.7
145.04979	3.0
145.10133	27.3
147.08037	6.3
147.11687	21.9
149.09596	3.2
149.13249	13.4
151.07454	2.3
153.09077	2.5
157.10115	9.7
158.10921	2.3
159.11710	15.9
161.09624	8.9
161.13271	28.0
163.11150	4.3
163.14810	27.4
170.10849	2.5
171.11664	7.7
173.13284	26.5
175.11205	5.3
175.14816	26.3
177.16364	18.2
185.13252	6.7
187.14799	21.4
189.12758	20.3
189.14665	4.0
189.16348	35.1
191.14267	19.0
191.17979	5.5
197.13287	2.2
199.14824	9.1
201.16362	12.3
203.14417	3.5
203.17958	68.8
205.15948	3.9
205.19534	4.7
213.16365	4.7
217.12282	2.5
219.13889	5.0
219.17413	5.1
229.19487	2.1
231.13741	3.4
231.17418	4.2
233.15225	5.0
235.13329	11.9
235.16914	4.4
241.19594	2.8
245.15404	4.6
247.16846	3.1
249.18471	6.0
281.22598	2.3
375.30594	4.8
377.31998	3.5
393.31430	19.1
395.33102	15.9
403.69543	2.4
421.31067	18.1
423.32629	2.7
439.32086	100.0
440.31989	2.9
449.30737	3.7
457.32764	2.8
467.31360	10.0
485.32666	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	485.2876
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05503	3.1
56.81078	1.3
57.03434	3.6
57.07077	26.0
59.65134	1.0
59.73056	1.1
67.05502	3.7
67.52482	1.0
69.07078	5.8
70.52133	1.1
71.08633	20.9
71.61284	2.0
79.05512	1.1
81.07055	6.9
81.68746	1.1
83.04998	1.3
83.08603	4.4
85.10181	11.1
95.08612	11.3
97.10151	2.6
98.98471	20.3
109.10143	3.6
137.00087	1.2
155.01035	12.6
161.23746	1.1
173.02089	3.0
192.07732	1.6
239.23741	1.5
247.05745	1.7
260.12387	1.3
313.27365	100.0
383.14774	1.3
393.24042	2.6
449.26593	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	485.3261
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03935	2.5
53.75365	1.5
55.05503	9.5
57.03417	2.4
59.04985	1.9
65.68795	1.5
67.05494	7.6
69.03417	5.9
69.07068	13.1
70.60597	4.3
73.02922	4.4
75.00704	1.4
77.18206	1.6
79.05491	9.1
81.03430	4.0
81.07043	23.2
83.04985	3.7
83.08610	3.5
85.02901	16.4
87.00844	1.7
91.05489	9.9
93.07046	23.4
95.04964	5.0
95.08604	44.5
95.09162	3.2
97.02898	6.0
97.06512	2.5
97.10149	2.4
98.06046	1.5
99.04457	4.6
102.39695	1.6
104.16875	1.4
105.07023	31.8
107.08595	33.4
109.02886	3.2
109.06583	1.8
109.10148	21.1
110.74715	1.6
111.08109	3.7
113.09625	1.7
117.07032	3.9
119.08579	42.7
121.06525	8.7
121.10146	27.5
123.08114	4.2
123.11719	7.2
125.09624	2.0
127.03912	26.9
129.05498	1.9
129.06989	2.6
131.08568	18.7
133.10123	28.7
135.08044	5.4
135.11682	17.1
137.09619	2.3
137.13242	1.8
142.07832	2.8
143.08536	5.4
145.04973	11.1
145.10126	25.3
147.04372	1.6
147.08035	5.3
147.11687	25.0
149.09607	4.3
149.13240	16.8
153.09102	3.3
157.08734	2.7
157.10155	9.0
159.08047	2.3
159.11676	19.9
161.09624	7.8
161.13255	23.2
163.11171	5.6
163.14833	22.1
167.10680	1.7
170.10925	1.8
171.11664	8.3
173.09503	1.8
173.13266	30.6
175.11198	5.8
175.14821	22.0
177.16394	16.6
183.11702	2.4
185.13248	7.1
187.11276	2.2
187.14824	26.9
189.12756	17.5
189.14676	2.7
189.16368	33.1
190.13644	2.1
191.14311	20.7
191.17958	8.7
199.14809	7.8
201.16347	17.1
203.14363	5.7
203.17946	70.5
205.15837	3.2
205.19563	3.2
207.13750	3.3
213.12750	1.4
213.16411	5.5
215.14262	1.6
215.17853	2.1
217.15880	4.7
219.13802	3.9
219.17427	9.6
221.15308	2.0
225.16432	2.4
227.18016	3.5
231.13831	2.4
233.15373	6.3
235.13315	13.2
235.16930	4.3
237.14812	2.9
237.18391	4.7
243.17509	2.1
245.15338	2.7
247.16939	3.9
249.15009	2.1
249.18527	7.0
251.16360	2.4
267.21191	2.4
271.16812	2.2
281.22775	3.1
289.09210	2.6
375.30188	2.8
377.32278	3.3
389.74951	1.5
393.31555	17.5
395.33035	11.9
421.30927	19.5
423.32681	2.3
439.32071	100.0
449.30930	2.0
457.33429	2.4
467.31531	11.1
485.32645	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	485.2878
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05510	3.1
56.01704	1.2
57.03431	5.7
57.06826	1.7
57.07079	24.4
67.05490	5.4
69.07050	4.4
71.08639	14.3
71.48560	2.0
74.22460	1.5
79.05526	1.7
81.07060	7.1
83.08620	5.3
85.06563	1.9
85.10188	8.6
91.05478	16.7
93.07090	1.6
95.08603	12.3
97.10162	2.0
98.98466	17.4
105.07028	3.7
109.10150	6.2
123.11801	1.4
126.18977	1.6
133.10130	36.8
133.82919	1.3
134.10445	1.5
155.01045	10.7
173.02122	3.2
173.46814	1.3
237.40172	1.6
239.23663	2.3
250.08862	1.3
277.35367	1.5
305.40268	1.4
313.27359	100.0
314.27856	1.8
321.07578	1.3
400.40424	1.3
449.26654	5.0
485.32584	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05514	4.3
57.03436	7.1
57.07075	25.3
62.00764	0.8
64.82769	0.7
67.05502	5.1
69.07063	5.3
71.08631	16.3
71.22128	0.9
71.22484	1.7
75.63548	0.8
80.60376	0.7
81.07059	5.9
83.08618	5.3
85.10186	8.6
89.06013	1.7
90.64005	0.7
95.08609	10.8
97.10175	2.7
98.98465	6.2
107.08602	1.0
109.10145	4.0
119.57962	0.7
123.11677	2.3
133.10118	1.2
155.00990	4.8
165.16165	0.7
171.11671	0.7
219.20932	0.6
222.76324	0.7
239.23630	1.8
257.24667	1.0
313.27362	100.0
314.27655	1.0
449.26474	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31802	1.9
52.94460	2.0
53.00294	2.4
53.03941	2.4
55.05496	4.3
56.64414	1.8
57.03431	8.3
59.04996	2.1
59.96844	1.6
67.05503	18.2
69.03432	22.4
69.07066	8.2
71.01344	2.5
71.04992	38.2
71.36352	1.8
73.02912	2.2
73.06502	1.8
79.05477	5.2
81.03436	2.7
81.06576	4.1
81.07056	63.4
83.04980	6.5
83.06097	21.3
85.02909	24.9
85.06548	26.3
87.04469	8.1
91.05487	14.6
93.03416	1.9
93.07036	7.0
95.04980	5.2
95.08607	54.9
97.02883	12.9
97.06526	3.3
99.00814	6.1
99.04448	2.1
99.08100	4.2
103.05459	3.1
105.07019	7.2
107.04940	5.4
109.02859	3.7
109.10162	5.7
111.04437	6.8
111.11752	2.1
115.03956	10.7
117.03366	2.1
117.07002	6.1
119.04971	3.1
119.08540	3.1
121.06494	6.7
121.10068	1.9
127.03938	2.9
128.06255	2.3
129.07002	2.9
131.04919	8.4
131.08571	3.4
133.04953	8.5
133.06447	2.5
133.10199	2.3
133.95845	1.8
135.08105	2.9
137.05939	2.4
137.13245	10.6
139.03856	2.6
141.01822	4.5
142.77480	1.8
143.08598	4.6
144.05757	2.2
145.02824	3.9
145.06477	4.2
145.10141	11.0
147.04422	7.0
147.08081	4.0
149.09601	3.0
155.14305	100.0
157.10159	4.2
158.07268	3.7
161.06006	3.6
163.07564	5.8
171.08180	2.2
171.11679	6.3
173.09618	36.9
173.15350	39.3
175.11179	5.2
177.05550	8.9
189.12730	11.1
191.08926	4.1
191.10666	79.3
191.14662	3.9
191.16423	63.1
192.11089	2.4
197.04822	5.9
199.11203	2.5
216.91174	2.1
217.12288	9.4
237.02823	4.3
237.09280	2.2
241.07468	2.6
259.28220	1.8
265.08731	1.8
273.05890	10.5
281.10626	1.9
291.15891	6.5
293.08102	3.6
305.14917	7.0
309.16980	8.2
311.09506	2.5
323.15958	4.4
353.15967	61.2
397.90186	2.1
425.14877	16.6
425.97580	2.0
441.16205	2.9
443.15619	3.4
485.14383	15.2
485.20499	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	485.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43547	0.7
55.05509	3.7
57.03437	6.7
57.07076	21.8
61.27831	0.8
67.05507	4.9
69.07066	4.4
69.29795	0.6
69.58310	5.2
71.08629	17.5
75.52980	0.8
81.07059	7.3
83.08620	6.1
85.10182	10.2
86.68529	0.7
89.06042	1.3
91.05463	0.8
93.07010	0.8
95.08602	9.0
96.74574	0.8
97.10171	1.5
98.98490	3.9
103.07571	1.4
103.39694	0.6
107.08596	0.8
109.10129	4.9
119.08558	0.8
123.11702	2.0
135.11705	1.0
142.59846	0.6
155.01060	2.2
170.05702	1.1
198.92133	0.6
239.23721	1.8
257.24695	1.6
313.27365	100.0
314.27725	3.0
449.26688	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31802	1.9
52.94460	2.0
53.00294	2.4
53.03941	2.4
55.05496	4.3
56.64414	1.8
57.03431	8.3
59.04996	2.1
59.96844	1.6
67.05503	18.2
69.03432	22.4
69.07066	8.2
71.01344	2.5
71.04992	38.2
71.36352	1.8
73.02912	2.2
73.06502	1.8
79.05477	5.2
81.03436	2.7
81.06576	4.1
81.07056	63.4
83.04980	6.5
83.06097	21.3
85.02909	24.9
85.06548	26.3
87.04469	8.1
91.05487	14.6
93.03416	1.9
93.07036	7.0
95.04980	5.2
95.08607	54.9
97.02883	12.9
97.06526	3.3
99.00814	6.1
99.04448	2.1
99.08100	4.2
103.05459	3.1
105.07019	7.2
107.04940	5.4
109.02859	3.7
109.10162	5.7
111.04437	6.8
111.11752	2.1
115.03956	10.7
117.03366	2.1
117.07002	6.1
119.04971	3.1
119.08540	3.1
121.06494	6.7
121.10068	1.9
127.03938	2.9
128.06255	2.3
129.07002	2.9
131.04919	8.4
131.08571	3.4
133.04953	8.5
133.06447	2.5
133.10199	2.3
133.95845	1.8
135.08105	2.9
137.05939	2.4
137.13245	10.6
139.03856	2.6
141.01822	4.5
142.77480	1.8
143.08598	4.6
144.05757	2.2
145.02824	3.9
145.06477	4.2
145.10141	11.0
147.04422	7.0
147.08081	4.0
149.09601	3.0
155.14305	100.0
157.10159	4.2
158.07268	3.7
161.06006	3.6
163.07564	5.8
171.08180	2.2
171.11679	6.3
173.09618	36.9
173.15350	39.3
175.11179	5.2
177.05550	8.9
189.12730	11.1
191.08926	4.1
191.10666	79.3
191.14662	3.9
191.16423	63.1
192.11089	2.4
197.04822	5.9
199.11203	2.5
216.91174	2.1
217.12288	9.4
237.02823	4.3
237.09280	2.2
241.07468	2.6
259.28220	1.8
265.08731	1.8
273.05890	10.5
281.10626	1.9
291.15891	6.5
293.08102	3.6
305.14917	7.0
309.16980	8.2
311.09506	2.5
323.15958	4.4
353.15967	61.2
397.90186	2.1
425.14877	16.6
425.97580	2.0
441.16205	2.9
443.15619	3.4
485.14383	15.2
485.20499	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	485.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92772	2.9
55.05509	7.6
67.05507	24.7
68.13039	2.9
69.07072	14.9
70.76180	9.8
79.05498	10.5
81.03431	5.7
81.07051	23.3
83.05002	4.0
83.08620	6.2
83.95409	2.9
91.05464	15.3
93.07044	15.9
95.04983	7.5
95.08598	31.6
97.02923	3.9
97.06518	11.4
105.07042	21.9
107.04918	4.0
107.08589	25.8
109.06491	4.2
109.10162	36.8
111.08154	3.8
117.07011	6.3
119.08570	31.3
121.06487	4.2
121.10143	25.5
123.04425	13.6
123.08076	7.8
123.11709	4.4
127.03918	7.4
131.08531	6.7
133.06502	7.3
133.10112	19.2
135.08084	16.2
135.11668	13.8
137.09619	19.3
139.03859	3.9
143.08562	4.9
145.06393	4.7
145.10123	13.3
147.08020	4.0
147.11691	11.3
149.05977	7.2
149.09644	7.5
149.13300	4.9
151.07600	4.0
155.03340	27.9
156.09277	3.8
157.10074	6.9
159.04478	3.2
159.08066	4.9
159.11728	12.4
160.05211	8.8
161.06003	5.8
161.09579	3.2
161.13297	8.1
163.11142	7.9
163.14844	11.3
169.05034	7.5
170.05753	100.0
171.06581	5.7
171.11723	5.0
175.14830	9.1
177.05458	4.2
177.12709	7.6
177.16371	9.0
183.06551	42.1
185.13205	5.4
187.14822	14.3
189.09096	4.1
189.16394	8.8
191.07045	7.0
197.04471	10.2
201.12718	4.0
205.15886	14.2
206.05750	9.9
207.06404	7.2
220.07288	4.3
221.08090	45.3
222.05438	3.9
223.06006	3.2
231.06384	4.6
232.03761	4.4
233.08061	9.0
235.06042	3.4
235.09648	5.1
245.87822	4.4
246.82855	3.7
247.06039	3.5
247.09544	3.6
249.07506	6.2
265.07016	26.6
269.19150	4.2
277.02594	3.2
279.08432	3.4
283.10263	4.9
287.20044	5.3
297.18500	5.9
315.19650	11.2
343.15536	3.3
349.16406	3.9
421.23181	4.2
439.24985	36.0
439.30865	6.1
457.25845	8.3
467.24338	39.2
474.04965	3.7
485.25363	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01886	8.5
55.05508	5.5
57.03430	2.7
61.02929	4.5
67.05500	6.9
68.99763	2.0
69.03431	28.2
69.03802	1.9
69.07060	9.5
70.86350	3.0
71.04986	3.4
73.02926	4.1
79.05488	4.0
81.03417	20.7
81.07060	16.5
83.04975	1.6
83.08631	4.1
85.02911	57.5
85.06545	3.0
87.00841	25.4
91.05478	6.5
91.23756	1.8
93.07053	17.4
95.08611	17.9
97.02893	28.4
97.06551	3.0
99.04448	8.6
105.01874	29.6
105.07039	14.8
107.08608	21.4
109.02880	21.7
109.06555	3.3
109.10159	16.5
111.08095	5.3
117.01857	2.1
117.07003	2.8
119.08585	15.0
121.06536	4.0
121.10137	12.6
123.08090	2.4
123.11700	6.9
127.03925	50.1
129.01849	2.0
131.08551	9.8
133.10121	9.9
135.08073	4.4
135.11703	15.5
137.13216	1.7
143.08569	2.5
145.04984	16.0
145.10106	15.9
147.02893	1.7
147.04369	3.1
147.11732	4.8
149.13235	9.1
150.57562	1.6
150.67020	1.6
151.11220	2.7
157.10150	2.3
159.02885	5.2
159.11687	19.3
161.13263	28.5
163.11176	5.4
173.13281	6.1
175.14828	6.1
177.16415	4.1
185.13295	3.4
187.06119	1.9
187.14810	3.3
189.03954	2.2
189.12868	2.4
189.16397	5.7
191.14313	4.4
199.14790	1.9
201.16409	21.1
202.04179	2.3
203.17999	9.4
213.03897	8.8
215.18089	1.8
217.48386	1.9
219.17458	28.9
231.05013	11.2
235.16988	3.0
237.18509	100.0
278.21152	2.1
313.63425	1.7
329.99496	1.7
439.32007	13.6
449.21909	2.5
485.32452	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02715	0.4
55.05515	0.7
56.96592	0.4
60.71118	0.4
60.72681	0.4
67.05506	2.4
69.03452	1.7
69.07069	0.6
69.93995	1.9
70.06609	0.5
71.05013	0.7
79.05525	0.7
81.03429	0.9
81.07069	2.7
83.04996	0.8
85.02912	1.2
86.09735	0.5
86.97717	0.4
87.00870	0.6
88.43603	0.4
91.05507	1.5
93.07069	1.8
95.04993	0.5
95.08595	2.9
97.02925	0.9
97.06533	1.0
98.97630	0.5
99.04484	0.4
101.00902	0.8
104.26855	0.4
105.07063	1.8
107.04993	0.9
107.08636	1.7
109.02962	0.4
109.06600	0.5
109.10189	1.6
111.04471	0.8
116.98663	0.5
117.07050	0.5
119.01933	3.6
119.05012	1.1
119.08559	1.9
120.70192	0.4
121.10178	1.0
123.08086	0.7
123.11763	1.4
127.00081	0.5
127.03968	0.8
130.54044	0.4
131.08661	0.6
133.10188	1.2
135.11743	1.0
137.02977	0.5
137.13348	0.4
143.01979	1.5
145.10141	1.1
147.04401	3.9
147.11722	0.9
149.13329	0.5
153.12784	0.5
157.03549	0.9
159.11740	0.8
161.03003	3.2
161.13373	0.6
167.03204	0.6
168.35725	0.4
173.13364	0.5
175.04576	1.3
177.05540	0.5
187.00966	0.6
201.16528	0.6
203.04036	0.7
210.72250	0.5
219.13948	0.7
219.17456	1.2
221.05118	1.1
227.05469	1.2
237.02864	0.4
245.06488	0.8
259.10025	0.4
271.04456	1.2
273.06229	1.2
279.18661	0.4
287.05673	0.8
289.05511	1.3
297.19357	0.9
323.14661	0.6
339.20584	0.7
381.21866	0.7
399.22769	3.6
441.24213	12.9
485.23877	100.0
486.24060	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23306	3.4
56.96564	13.6
61.43970	3.1
62.58825	2.8
67.05495	6.4
71.59238	4.2
71.59676	3.6
79.05492	4.0
81.07043	4.5
93.07043	4.1
95.08636	3.0
106.07491	3.3
107.08627	6.5
108.56516	3.4
136.93155	7.0
150.95578	100.0
154.94165	8.5
168.95738	5.9
172.95268	20.2
186.96794	54.3
190.96347	9.7
193.98163	2.8
204.97873	46.2
209.98445	4.4
227.99391	4.4
228.97862	6.1
237.65665	3.4
242.99420	6.5
317.17880	65.3
335.19064	25.1
335.25748	8.1
358.20493	14.3
411.16666	4.3
425.17578	4.2
453.17017	11.4
467.18790	6.3
471.18256	32.2
485.20251	84.4
485.26520	5.0
494.19550	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	485.2365
Annotation	LG-629
Peak:m/z	Relative Intensity
52.02715	0.4
55.05515	0.7
56.96592	0.4
60.71118	0.4
60.72681	0.4
67.05506	2.4
69.03452	1.7
69.07069	0.6
69.93995	1.9
70.06609	0.5
71.05013	0.7
79.05525	0.7
81.03429	0.9
81.07069	2.7
83.04996	0.8
85.02912	1.2
86.09735	0.5
86.97717	0.4
87.00870	0.6
88.43603	0.4
91.05507	1.5
93.07069	1.8
95.04993	0.5
95.08595	2.9
97.02925	0.9
97.06533	1.0
98.97630	0.5
99.04484	0.4
101.00902	0.8
104.26855	0.4
105.07063	1.8
107.04993	0.9
107.08636	1.7
109.02962	0.4
109.06600	0.5
109.10189	1.6
111.04471	0.8
116.98663	0.5
117.07050	0.5
119.01933	3.6
119.05012	1.1
119.08559	1.9
120.70192	0.4
121.10178	1.0
123.08086	0.7
123.11763	1.4
127.00081	0.5
127.03968	0.8
130.54044	0.4
131.08661	0.6
133.10188	1.2
135.11743	1.0
137.02977	0.5
137.13348	0.4
143.01979	1.5
145.10141	1.1
147.04401	3.9
147.11722	0.9
149.13329	0.5
153.12784	0.5
157.03549	0.9
159.11740	0.8
161.03003	3.2
161.13373	0.6
167.03204	0.6
168.35725	0.4
173.13364	0.5
175.04576	1.3
177.05540	0.5
187.00966	0.6
201.16528	0.6
203.04036	0.7
210.72250	0.5
219.13948	0.7
219.17456	1.2
221.05118	1.1
227.05469	1.2
237.02864	0.4
245.06488	0.8
259.10025	0.4
271.04456	1.2
273.06229	1.2
279.18661	0.4
287.05673	0.8
289.05511	1.3
297.19357	0.9
323.14661	0.6
339.20584	0.7
381.21866	0.7
399.22769	3.6
441.24213	12.9
485.23877	100.0
486.24060	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77218	1.3
55.05523	2.8
59.04993	1.7
63.64766	1.4
67.05518	5.5
69.07066	6.6
69.78179	9.3
71.04995	17.0
79.05489	7.8
81.07059	28.1
85.02922	2.3
91.05476	13.7
93.07043	73.9
94.87376	1.7
95.04953	2.1
95.08609	14.5
97.06533	16.6
98.20810	1.8
105.07047	4.6
107.08596	41.8
109.10168	6.3
111.04443	2.8
119.04900	8.2
119.08625	2.3
123.11690	7.3
127.03938	1.9
133.10147	2.9
135.11696	100.0
137.13235	7.4
144.14471	1.7
147.04427	22.5
153.12750	95.7
157.19957	1.5
233.09384	19.9
251.10439	33.6
341.25305	1.5
442.83762	1.7
485.19965	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01870	5.8
55.05507	8.3
57.03191	1.2
57.03439	18.1
59.04993	1.2
61.02914	3.1
65.03934	1.7
67.01849	1.6
67.05504	10.5
69.03432	8.8
69.07066	9.2
70.66202	3.3
71.01353	25.1
71.04990	5.6
72.41870	0.9
73.02917	36.1
75.04462	3.2
77.03934	1.3
77.88956	1.0
79.05493	26.3
81.03412	2.3
81.07056	41.1
82.07320	0.9
83.01317	3.1
83.04985	5.6
85.02905	65.2
85.06534	8.1
87.00828	0.8
87.04453	1.3
91.05479	34.3
91.39548	0.9
93.07043	100.0
95.01320	9.5
95.04969	11.8
95.08606	14.1
97.02887	17.8
97.06532	15.5
99.00813	6.7
99.03835	1.7
99.04453	23.5
101.02379	10.6
101.06027	4.6
103.03937	7.7
105.04522	1.6
105.07030	89.4
107.04973	4.4
107.08595	26.4
109.02887	1.4
109.06520	23.8
109.10161	2.5
111.08046	1.3
113.02367	29.2
113.05999	2.7
115.05436	1.4
115.07610	1.1
117.05515	1.0
117.06998	4.6
119.04915	5.0
119.08580	59.6
120.21098	1.0
121.06507	48.5
121.10175	6.8
123.00774	2.1
123.04455	1.9
123.08065	5.2
125.05982	1.3
127.03928	2.5
127.07564	11.1
128.05344	1.0
128.06221	3.4
129.05470	7.7
129.06952	7.3
130.07761	1.5
131.03397	14.3
131.08546	8.3
133.06462	5.1
133.10132	29.7
135.04372	2.5
135.08055	5.0
135.11705	2.5
137.06017	5.2
139.07539	16.1
141.01819	13.5
141.05524	1.8
141.06996	2.5
142.07782	6.3
143.08571	12.9
145.04938	2.0
145.10117	22.5
145.11290	1.2
147.04407	8.2
147.08076	7.0
147.11687	96.3
148.12044	1.2
151.07578	5.0
155.08502	1.6
156.08127	1.5
156.09305	8.3
157.06551	1.8
157.10121	23.9
157.11308	1.8
159.02904	6.7
159.06516	3.1
159.08008	1.6
159.11679	4.8
161.06049	1.8
161.09622	3.2
161.13261	38.4
165.09097	2.3
169.04967	4.4
169.08638	1.4
169.09996	1.1
171.10242	1.2
171.11674	30.2
171.13158	1.9
173.09639	3.0
173.13324	1.8
175.07587	1.3
175.11172	21.0
181.10123	2.7
185.13182	1.6
187.06036	3.0
187.11215	1.6
187.64156	1.0
189.12738	54.5
190.13112	1.1
191.10641	1.1
193.12228	3.9
195.10182	2.4
197.04448	3.2
199.11171	19.5
201.16483	1.9
207.13802	33.4
213.16528	1.3
215.05504	11.8
215.10733	1.1
217.12236	71.4
218.86490	0.9
219.17491	1.4
233.06595	1.8
235.13298	29.4
237.18498	3.0
253.14375	9.2
263.16461	1.7
291.15909	9.2
305.08759	1.9
309.16962	40.8
351.18109	1.4
403.17728	1.7
431.16821	1.4
439.20187	1.1
449.18018	2.9
467.19159	3.4
485.20187	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	21.5
67.05505	1.3
70.86075	3.4
71.95234	2.3
81.07051	1.9
90.32930	1.2
91.05475	1.5
93.07030	1.4
102.92608	3.1
118.92100	1.3
128.98596	2.2
136.93120	5.2
146.99640	5.1
150.95581	4.5
154.94145	13.2
161.01210	1.3
165.00627	1.9
168.95715	12.9
172.95233	37.0
186.96797	100.0
189.04291	1.5
190.96278	22.4
191.97423	1.2
193.07719	1.2
195.96858	5.3
204.97859	83.7
209.98404	18.7
210.96848	4.3
212.98312	2.0
213.97861	4.5
222.98843	2.0
224.98401	6.2
226.99951	3.0
227.09592	1.7
227.99466	9.0
228.97830	12.8
233.00052	1.5
233.98311	1.5
242.99403	17.6
245.00974	3.0
246.98851	2.9
247.99994	2.6
251.99409	2.0
255.32272	1.6
261.00525	1.8
266.01007	3.5
273.99252	1.4
279.86798	1.2
317.17880	99.0
318.18085	1.8
333.17108	1.5
335.18921	48.8
336.19388	1.2
353.20020	2.3
358.20535	27.7
369.21484	1.5
373.20502	6.4
397.14563	2.2
411.15997	11.5
424.24844	1.3
425.17606	11.5
443.18631	1.8
448.82840	1.3
453.17096	27.0
467.18747	14.0
471.18207	47.8
472.18628	1.5
485.19748	53.9
485.25354	2.0
486.19623	1.7
494.19980	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	485.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91117	1.4
56.96565	21.5
67.05493	2.1
69.88881	4.1
69.89294	2.8
71.95250	2.2
74.97619	1.3
81.07039	2.3
91.58091	1.3
95.08596	2.9
98.97560	1.4
102.92613	3.1
105.07026	2.0
109.05146	1.2
110.14036	1.1
110.97625	1.2
116.41691	1.2
128.98584	4.0
134.99625	1.4
136.93115	8.4
138.18120	1.1
138.41505	1.2
146.99640	4.3
150.95609	9.8
154.94186	21.6
165.00705	1.1
168.95718	14.3
172.95238	35.9
176.96277	1.5
177.95808	1.6
180.95732	1.5
186.96799	94.8
190.94633	2.4
190.96275	19.9
191.97360	2.3
195.96811	6.5
200.98314	1.3
204.97864	81.6
209.98407	14.8
210.96826	3.9
212.98346	1.6
213.97835	1.9
224.98320	5.3
226.99870	3.7
227.99495	9.2
228.97856	12.7
230.99455	1.9
232.99867	1.6
242.99423	16.5
245.00966	3.4
246.98959	3.3
247.99902	1.9
251.99532	1.9
261.00464	1.9
266.00940	2.4
279.12686	2.3
315.16238	1.3
317.17889	100.0
333.17230	2.4
335.18939	47.0
335.25229	2.3
358.16116	1.8
358.20471	23.4
359.20850	1.6
373.20468	5.1
397.14642	1.8
411.16281	9.3
425.17651	10.5
452.19165	1.3
453.17142	25.2
467.18689	13.0
471.18225	55.2
485.19781	57.1
485.26331	3.0
494.19839	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	485.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81424	0.6
53.03941	0.9
53.20910	0.6
53.63770	0.6
55.01874	1.1
55.05495	1.5
56.82446	0.6
56.96561	0.6
57.03415	0.9
65.03934	1.6
67.05500	2.3
69.03429	2.1
69.07061	2.1
69.38617	7.1
71.01352	2.0
71.04993	0.8
73.02909	2.4
79.05502	3.5
81.03407	2.0
81.07057	6.1
83.04990	1.2
83.08611	1.2
85.02913	6.9
85.06539	1.3
90.07948	0.6
91.05486	18.2
93.07047	10.7
94.34195	0.6
95.04970	2.0
95.08615	4.1
97.02898	3.6
97.06528	1.8
99.00861	0.7
99.04457	2.4
103.03925	0.9
105.01838	0.8
105.07032	9.8
107.04977	0.7
107.08605	4.7
109.02889	1.3
109.06512	3.2
109.10143	2.7
109.15825	0.6
113.02371	1.5
113.05980	0.6
117.06979	1.0
118.85892	0.6
119.04952	27.4
119.08593	6.1
121.06524	3.2
121.10123	2.7
123.11736	1.3
125.09554	0.8
127.03867	4.2
129.05484	0.9
129.07005	0.7
131.03412	1.4
131.08578	1.5
133.06448	0.9
133.10149	4.2
135.08087	1.6
135.11673	2.0
137.09653	0.8
139.07552	1.4
141.01825	1.5
143.08624	1.8
145.04904	0.7
145.10104	4.5
147.04413	100.0
147.11703	10.3
149.13205	0.8
153.12791	0.7
157.10144	2.3
159.02834	0.9
159.11725	1.5
161.09673	0.7
161.13269	4.1
163.11206	0.6
171.11684	3.5
171.72089	0.7
173.13260	1.0
175.11208	1.6
175.14868	1.0
177.05481	0.7
180.92751	0.6
189.12773	4.4
189.16345	0.9
199.11241	2.2
201.16348	1.8
207.13765	3.2
217.12267	5.7
219.17476	1.9
235.13332	2.2
237.18407	2.2
291.15924	0.7
303.08548	1.1
309.16946	3.3
383.14856	1.0
384.53323	0.7
455.37048	0.7
485.20380	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	485.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	7.4
53.03932	0.9
55.01873	1.9
55.05497	3.5
57.57804	0.8
59.65549	0.9
65.03941	9.1
65.56174	0.7
67.05506	23.5
68.99792	1.3
69.03427	23.6
69.63847	0.7
69.64231	6.2
70.06583	1.6
71.01361	4.8
71.01678	0.8
72.08157	1.0
79.05493	0.8
79.10720	0.8
83.04983	31.6
85.02915	11.3
87.00809	3.0
87.04500	0.9
91.05489	6.7
93.03406	13.5
93.07047	2.8
95.04972	23.3
97.02905	1.1
98.20801	1.8
99.00820	51.8
101.06032	1.1
103.05447	1.2
107.04958	23.1
107.08626	1.5
111.04446	56.0
115.03938	1.3
116.98604	1.1
117.01866	6.7
117.07011	0.8
119.04944	12.2
121.02879	6.4
121.06506	0.7
127.03938	1.4
129.05484	25.3
131.04932	1.8
133.04982	0.9
135.11661	1.7
139.03900	14.4
145.06522	4.2
147.04413	41.9
147.06372	1.6
157.04941	6.9
159.44551	0.9
161.06013	1.8
177.05508	2.3
191.08545	2.0
193.31410	0.9
195.08115	0.9
204.23111	0.9
209.04507	7.0
209.09547	2.0
212.08302	1.4
213.09056	2.3
219.08113	4.5
223.07460	6.7
225.09100	2.0
227.05504	24.2
230.11383	1.7
237.09152	12.1
239.88771	0.9
245.06519	3.9
247.07588	4.7
251.07254	0.9
255.04999	1.7
257.04065	0.8
265.08633	10.7
267.10001	0.9
273.06055	100.0
283.09647	2.5
293.08078	6.7
311.09106	12.1
321.09753	1.6
371.59180	0.9
467.13553	1.4
485.19052	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	485.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84858	0.4
53.00310	1.8
55.05506	0.8
56.05000	0.4
65.03940	3.7
67.05502	5.6
69.03432	6.0
69.71299	2.6
70.06576	0.7
70.23664	0.4
71.01344	0.7
74.06030	0.4
79.82249	0.4
81.07065	0.6
83.04984	7.4
84.08152	0.6
85.02908	3.0
85.07668	0.8
91.05479	14.1
93.03402	3.9
95.04968	4.8
97.02895	0.8
99.00188	0.7
99.00814	10.5
107.04954	6.9
111.04437	12.3
115.03881	0.4
115.05449	0.4
117.01857	1.5
117.07027	0.4
118.22490	0.3
119.04945	27.2
120.08104	0.7
121.02869	2.1
127.03921	0.4
129.05490	5.3
130.38612	0.4
131.04932	0.6
133.06490	0.4
139.03903	4.4
142.10902	0.4
145.02901	0.5
145.06511	1.5
147.04410	100.0
148.04720	1.1
157.04997	1.9
159.04648	0.4
161.05998	0.5
165.05513	0.5
175.06087	0.6
177.05507	1.1
185.57668	0.5
188.23102	0.4
191.08603	1.1
195.08096	0.6
209.04372	1.0
209.06114	0.8
209.09657	1.2
213.09120	0.6
219.08078	1.2
223.07626	2.0
223.95903	0.5
225.09138	0.6
227.05479	4.1
237.09103	4.7
245.06616	0.9
247.07544	1.9
251.07013	0.8
265.08612	3.4
273.06052	16.1
283.09674	1.0
293.08047	3.6
300.72733	0.4
303.08661	2.4
311.09131	3.6
321.09552	1.8
421.42319	0.4
437.57278	0.4
467.13531	1.6
485.15433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.96574	0.4
65.03935	1.0
66.43948	0.3
67.05505	0.6
69.03414	0.8
69.07031	0.3
69.45363	2.8
74.29541	0.3
79.05479	0.9
79.27945	0.3
81.03417	0.5
81.07041	1.4
83.04939	0.3
85.02908	1.6
86.09717	0.3
87.00844	0.6
90.03377	0.3
91.05476	13.5
93.07029	1.0
95.04980	0.4
95.08610	0.9
97.02903	1.1
98.97561	0.3
105.01872	0.6
105.07033	0.7
107.08568	1.1
109.02868	0.6
109.10141	0.7
116.98650	0.5
119.04939	25.2
119.08571	0.9
121.10144	1.1
125.09626	0.6
127.03914	1.0
133.10130	0.9
135.11592	0.4
145.04939	0.4
145.10118	1.1
147.04405	100.0
147.11699	0.5
148.04747	0.5
149.09627	0.3
159.11697	0.5
161.13237	0.5
163.03871	0.4
165.05540	0.3
201.16376	0.8
202.42284	0.3
219.17400	0.9
237.02773	0.3
237.18513	0.7
303.08636	2.4
316.74258	0.3
321.09644	1.1
352.37585	0.3
467.13358	2.1
485.18097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66964	0.2
52.57568	0.3
54.01896	0.3
55.05505	0.4
65.03941	1.5
67.05492	0.6
69.03425	0.6
69.07054	0.3
69.64556	0.5
69.64954	1.7
70.06574	0.6
71.04976	0.3
78.08820	0.2
79.05505	0.6
81.03425	0.8
81.07068	1.2
85.02896	0.9
86.09711	0.4
87.00810	0.3
89.76984	0.2
91.05480	13.6
93.07034	0.6
95.04984	0.4
95.08620	0.4
97.02884	0.9
97.06524	0.3
105.07022	0.5
107.08563	0.4
109.02878	0.3
109.10114	0.6
119.04943	27.9
119.08533	0.5
121.10118	0.6
125.09629	0.4
127.03927	0.6
133.10106	0.6
135.11708	0.2
137.09598	0.3
139.68285	0.3
145.04877	0.3
145.10143	0.7
147.04408	100.0
148.04745	0.6
159.11702	0.3
161.13252	0.3
163.03868	1.1
165.05495	0.3
184.07338	0.7
201.16370	0.4
219.17422	0.8
237.02750	0.3
237.18466	0.5
258.22009	0.3
295.05823	0.3
303.08685	2.5
321.09686	0.7
323.05316	0.5
364.30377	0.3
416.13385	0.3
436.75671	0.3
467.13437	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.5
57.06794	0.7
57.07074	13.4
58.06593	1.4
60.04511	1.7
67.05499	2.3
69.07053	2.2
69.57570	1.8
69.57990	4.0
70.06588	10.8
71.08624	7.1
72.08164	0.8
73.02905	1.1
79.72189	0.8
81.07056	3.7
83.08603	1.8
85.10166	3.3
88.07634	15.4
95.08598	2.4
97.12512	0.7
102.09183	10.9
102.09807	1.2
104.28763	0.7
106.08620	0.9
109.10107	1.6
138.09157	1.4
193.56438	0.8
216.84390	0.7
228.23236	38.8
246.24304	3.3
255.23174	7.9
256.26364	7.6
274.27295	0.9
283.26309	44.0
390.10782	0.9
484.40829	3.7
484.47244	100.0
485.47662	1.8
500.20932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
55.05496	0.5
59.96727	0.3
65.03922	1.5
67.05488	0.8
69.03412	1.1
69.07063	0.6
69.87981	0.9
69.88407	0.6
79.05464	0.5
81.03422	0.6
81.07065	1.4
83.04950	0.5
83.15311	0.2
85.02910	1.5
90.17189	0.2
91.05481	13.9
93.07050	1.2
95.04971	0.9
95.08600	1.5
97.02888	1.0
97.06494	0.3
102.67961	0.3
105.01857	0.4
105.07006	1.0
107.04928	0.4
107.08593	1.1
109.02871	0.5
109.10164	1.1
111.04472	0.6
117.06984	0.3
119.04942	28.6
119.08589	0.8
121.06552	0.4
121.10136	1.1
123.11710	0.6
127.03917	0.7
131.08574	0.5
133.10150	0.7
135.11713	0.5
137.05980	0.4
137.09598	0.3
143.08592	0.4
145.10146	0.7
147.04410	100.0
147.11708	0.7
148.04732	0.5
149.09581	0.4
149.13271	0.4
151.30954	0.3
154.54724	0.3
159.02847	0.4
159.11667	0.7
161.13220	0.4
165.05582	0.4
167.10631	0.3
174.42058	0.2
201.16402	0.4
219.17467	0.8
237.18542	0.3
273.06238	0.4
303.08670	3.0
305.24609	0.7
321.09784	1.0
329.09735	0.3
467.13184	2.7
485.19797	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80650	0.9
55.05504	1.4
56.67493	0.6
57.06818	1.1
57.07075	13.3
58.06589	1.4
67.05489	2.1
69.07070	2.6
70.06590	10.9
71.07331	1.9
71.08633	6.8
72.72524	0.7
73.02908	0.7
81.07069	1.9
83.08618	1.7
85.10186	2.6
88.07636	18.4
93.49062	0.7
95.08597	3.0
97.10168	1.2
102.09186	11.5
109.00802	0.8
109.10133	1.1
200.20102	29.8
200.21977	1.5
201.70297	0.7
216.19423	0.6
218.21135	2.4
228.23225	21.1
228.25381	1.4
246.24287	1.7
255.23126	1.5
256.26282	1.6
258.23276	0.7
283.26321	21.5
283.29398	1.3
284.26889	0.8
311.25842	1.4
311.29437	26.2
402.50793	0.7
484.47266	100.0
485.47406	1.4
496.64551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
55.05509	5.5
56.96555	1.5
57.07066	2.0
59.04980	1.1
67.05499	14.1
69.03425	2.7
69.07065	6.5
71.05001	1.6
71.26543	1.0
71.57348	1.9
75.70561	1.0
79.05493	6.8
81.03440	2.5
81.07054	16.1
83.04988	4.2
83.08615	3.5
85.02903	3.7
85.06532	2.7
91.05476	10.9
93.07039	15.0
94.70598	1.1
95.04956	2.4
95.08600	21.0
97.02890	4.4
97.06517	7.0
97.10137	1.7
105.07024	18.5
107.04964	1.7
107.08601	20.1
109.06506	3.6
109.10153	19.6
111.04440	11.3
111.08096	5.6
117.07030	3.5
119.08576	34.4
121.06525	2.4
121.10140	14.2
123.08078	4.2
123.11693	5.6
124.00473	1.2
125.05992	2.2
125.09642	1.9
127.03990	2.5
129.06970	2.7
131.08548	8.2
133.06499	1.9
133.10126	20.6
134.17133	1.1
135.08035	7.1
135.11714	7.0
137.05968	1.9
137.09605	8.9
139.07516	1.9
141.06937	1.8
142.07748	1.9
143.08551	3.9
144.09419	1.7
145.10124	13.6
147.11700	14.3
149.09639	1.5
149.13214	3.3
151.07596	1.7
151.11166	5.6
153.09067	1.2
155.08562	2.7
156.09306	1.4
157.10124	7.8
159.08118	1.1
159.11676	23.6
161.09619	2.8
161.13283	6.3
163.11220	1.7
163.14796	8.8
165.09184	1.2
165.12642	1.6
169.10143	3.9
170.10925	1.5
171.11699	5.5
173.09628	4.7
173.13277	6.1
175.11185	2.0
175.14793	2.6
177.12767	2.2
179.10655	1.7
181.10135	1.4
181.12169	1.7
182.10925	1.5
183.11667	6.6
185.13229	5.1
187.11215	5.0
187.14775	6.6
189.12642	1.9
189.16350	2.6
191.10703	1.3
191.14333	1.2
195.11769	1.5
197.13234	4.3
199.14818	5.9
201.12753	2.6
201.16374	19.6
203.10616	2.1
203.14078	1.2
205.12225	2.6
205.15842	3.1
207.13736	1.6
207.17538	1.6
211.11162	2.9
211.14767	4.0
213.12842	1.6
213.16393	3.9
215.14340	2.1
215.17964	2.5
217.12259	2.1
219.13921	1.9
223.11470	1.3
227.14288	1.7
229.12216	4.3
229.15820	1.6
229.19492	2.2
237.16367	1.2
239.14281	1.8
239.17937	3.6
243.13843	4.9
245.15286	2.1
253.19547	4.3
257.19028	5.4
271.16980	0.9
271.17972	1.2
271.20544	6.8
273.18445	1.9
275.20047	7.9
281.18973	6.4
287.05490	2.3
289.21509	2.9
299.20056	40.5
316.97934	1.1
317.21103	100.0
318.21555	1.7
335.22012	1.3
456.31308	1.0
496.10202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10740	0.7
55.01859	0.9
55.05505	1.1
56.96551	1.7
67.05490	1.0
69.03417	3.6
69.07059	0.9
71.57464	1.2
73.02905	1.7
81.03400	2.8
81.07049	2.1
85.02499	0.9
85.02913	9.3
87.00804	3.1
89.49435	0.8
91.05483	1.1
93.07068	1.0
95.04957	0.9
95.08597	0.8
97.02879	3.8
99.04458	1.6
105.01865	4.1
105.07020	2.3
107.08548	0.9
109.02863	3.4
117.06995	1.9
119.08562	2.6
126.35579	0.7
127.03928	6.9
129.06992	0.8
129.10667	0.7
129.46452	0.8
131.08566	8.4
133.10120	1.7
135.57404	0.7
144.09334	2.6
145.04953	2.8
145.10095	3.8
157.10121	1.8
159.02893	2.0
159.11693	77.6
160.11977	1.7
173.13365	0.9
201.16383	100.0
202.16730	2.6
206.00648	0.7
213.03912	1.0
231.04942	1.0
299.19873	0.9
448.79965	0.7
473.06564	0.7
483.70660	1.4
484.25638	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01874	1.2
57.03436	1.1
60.08166	0.8
62.33258	0.8
62.33554	0.9
62.57799	0.8
63.32750	0.8
63.61039	0.8
64.24110	0.7
65.03936	1.8
65.70078	0.8
67.05499	1.6
69.03424	3.9
69.07085	1.2
69.71468	2.7
69.71876	2.7
70.06599	9.8
70.67649	0.7
71.04997	1.8
72.96754	0.7
74.62269	0.9
78.04722	1.4
81.03422	8.4
82.83772	0.7
84.04501	1.2
84.08160	1.4
85.02898	6.6
86.09703	6.2
91.05504	1.4
93.07027	1.9
93.60381	0.8
95.04967	6.9
97.02903	7.3
98.97540	0.8
99.04478	1.1
104.10751	8.4
106.04178	0.9
107.08620	1.4
108.57463	0.8
109.02861	4.4
111.04441	2.3
111.22942	0.9
112.07612	1.2
119.04968	0.8
119.08616	0.8
121.02872	87.2
121.10144	1.4
122.06538	0.8
123.04429	4.7
124.05254	1.8
125.00002	2.8
127.03929	4.1
130.96039	0.8
139.03908	13.0
145.04958	2.2
147.04434	2.4
151.03929	1.0
163.03946	1.2
163.50203	0.8
167.07047	100.0
184.07343	10.4
186.50098	0.8
192.73473	0.8
257.04501	0.9
265.07135	12.3
274.12958	1.2
283.08157	12.3
303.04974	3.3
345.57465	0.8
377.01834	1.9
397.50842	0.8
440.23007	1.5
484.22672	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	483.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
57.07069	0.9
65.03934	0.4
67.05505	3.5
69.03429	1.2
69.07072	5.5
70.01466	2.5
73.31673	0.5
79.05496	2.1
81.07061	9.0
83.04990	3.3
83.08633	2.6
84.49377	0.4
91.05481	1.7
93.07053	5.1
95.04964	1.8
95.08609	16.3
97.10181	0.7
98.21404	0.6
105.07039	5.3
107.08592	9.9
109.06532	1.4
109.10159	9.6
110.19714	0.4
111.08097	1.0
111.11723	1.7
117.07065	0.5
117.29655	0.5
119.08586	7.1
121.06504	0.9
121.10148	10.0
123.08076	2.1
123.11708	5.9
125.09648	0.8
125.13286	0.5
131.08600	1.5
133.10133	5.9
135.08057	4.0
135.11702	10.6
137.09613	1.2
137.13252	3.6
139.11215	0.6
143.08627	0.5
145.10132	3.0
147.11673	3.9
149.09627	15.7
149.13248	2.5
151.11127	0.5
151.14748	0.6
157.10130	0.6
159.11702	2.6
161.09586	1.0
161.13252	3.6
163.11205	2.3
163.14857	1.5
167.29333	0.5
171.11732	1.0
173.13257	2.1
175.11230	0.8
175.14827	3.7
177.16388	4.6
187.14891	1.5
189.16396	5.9
191.17976	4.0
199.14854	0.7
201.16422	1.0
203.17992	1.0
205.19525	0.7
213.16440	0.7
215.17999	3.1
219.17557	0.6
229.19635	1.1
231.17505	1.2
233.19022	4.7
243.21114	1.0
245.19049	0.7
261.22168	0.9
267.21140	0.5
269.22760	1.2
277.17984	2.0
285.22134	0.7
287.23703	6.0
290.36002	0.5
345.24246	0.7
405.35040	0.5
423.36243	2.5
483.38361	100.0
484.38852	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	483.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52622	4.4
55.05494	10.6
67.05492	17.1
69.07054	21.0
71.20706	9.8
72.66710	4.3
81.07059	31.9
83.08642	6.7
91.05478	6.0
93.07064	15.2
95.08606	66.7
105.07021	18.8
107.08598	31.2
109.10155	65.6
117.06934	4.6
119.08606	21.5
121.10169	30.0
123.11706	14.5
131.08559	6.3
133.10139	19.7
135.11716	22.1
137.13261	13.4
143.08685	5.4
145.05884	4.6
145.10135	6.2
147.11674	8.9
149.13289	16.2
157.10098	7.2
159.11716	14.3
161.13347	9.6
163.14809	6.7
171.11708	7.0
171.34155	4.8
173.13275	20.0
175.11069	5.7
175.14844	16.7
177.16386	7.3
187.14769	11.1
189.16399	11.1
191.17934	13.5
199.14844	14.2
201.16399	9.8
203.17949	5.4
205.19504	14.4
213.16296	6.0
215.17963	10.5
217.15894	29.1
231.17436	7.6
231.21094	15.0
238.11017	4.9
405.35129	49.0
423.30774	8.3
423.36243	100.0
424.36063	6.9
483.38275	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	483.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.3
57.07068	9.7
67.05489	19.5
69.07066	29.6
71.61576	5.6
79.05474	14.2
81.07053	44.0
82.17722	4.6
83.05007	6.6
83.08627	12.0
89.06015	6.2
91.05484	21.7
93.07039	44.6
93.83270	4.9
95.04982	5.4
95.08609	100.0
97.10181	14.1
101.19444	4.5
105.07025	55.4
107.08598	68.8
108.95102	4.6
109.10163	58.1
117.07018	9.0
119.08584	76.0
121.10135	60.6
123.11736	28.1
131.08543	16.2
133.10117	65.7
135.11699	34.0
137.13245	6.9
145.10117	32.2
147.11682	62.4
149.13266	14.1
159.11665	36.7
161.13257	32.8
163.14827	20.5
172.44914	4.7
173.13249	19.7
175.14818	22.2
177.16339	15.8
187.14838	16.0
189.16411	35.5
191.17961	45.1
201.16339	23.4
203.17975	78.3
205.15799	8.2
205.19513	7.7
207.17477	16.3
215.17970	44.8
217.19495	14.0
219.17462	55.2
221.18988	21.3
229.19518	10.4
233.19006	88.4
243.21002	6.4
365.24854	7.3
393.35046	6.8
405.35034	22.5
423.36340	65.0
456.57733	5.6
465.37546	38.8
483.38342	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17802	0.7
55.05515	21.3
57.03442	6.7
57.07077	10.4
61.66317	0.7
67.05489	2.9
69.07072	24.7
70.21005	2.7
71.08633	6.6
74.65217	0.7
79.05487	2.2
80.03200	0.6
81.07062	5.0
83.08145	1.5
83.08623	18.9
84.62310	0.8
85.10172	2.9
93.07047	4.1
95.08621	4.3
97.06532	2.9
97.10175	13.6
98.98473	8.8
107.08608	2.3
109.10137	1.2
111.11707	3.7
121.10153	2.5
123.11746	0.8
125.09632	1.5
125.13273	0.7
126.00776	0.6
135.11681	1.6
155.01036	6.0
173.02196	0.8
173.77979	0.7
192.74249	0.7
255.40350	0.8
311.25821	100.0
312.26245	1.9
348.27179	0.8
447.25024	3.4
483.15195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.3
57.07073	1.3
62.63470	0.9
67.05495	3.3
69.07079	1.4
70.97832	3.2
79.05492	2.0
81.07040	3.6
83.01113	1.6
83.04977	1.5
83.08638	1.5
91.05488	4.3
93.07037	2.4
95.08591	6.7
97.10139	1.8
100.01534	1.1
105.07043	6.9
107.08575	3.5
109.10150	2.9
117.07011	2.5
119.08575	14.8
121.10114	2.6
123.04173	3.2
123.11709	1.3
129.06987	1.2
131.08582	3.5
133.10153	6.8
135.29584	1.0
143.08612	2.1
145.10095	5.6
147.11737	3.2
157.10124	2.9
159.11661	5.6
161.13264	2.3
171.11684	2.1
173.13252	3.6
177.06131	1.7
185.13255	1.8
187.14798	2.0
199.14861	2.4
201.16464	3.8
213.12473	1.2
219.27251	1.2
301.21692	2.3
323.19794	18.4
342.30881	2.8
364.21857	1.2
383.21899	53.7
423.25034	40.1
424.24368	1.3
483.27170	100.0
484.27429	1.9
505.25848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22021	0.6
55.01853	0.7
55.05512	19.7
57.03219	0.8
57.03440	7.5
57.07077	9.0
64.71915	0.8
67.05497	3.0
69.06722	1.5
69.07071	22.8
69.88811	2.1
69.89233	3.0
71.08630	5.8
71.76092	0.7
72.08149	2.6
79.05499	1.8
81.07047	4.8
83.04968	1.1
83.08624	17.7
85.10168	2.3
93.07036	3.1
95.08583	2.3
97.06531	2.2
97.10168	15.4
98.98462	9.0
103.14890	0.7
107.08592	2.1
111.11716	4.2
111.39630	0.7
121.10141	3.3
125.09653	1.1
135.11722	1.2
139.14799	0.9
155.01074	5.5
158.04135	0.9
237.22189	1.6
299.03613	0.8
311.25809	100.0
312.26184	1.5
420.82938	1.1
447.24988	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	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10710	0.9
53.69428	0.8
55.05271	1.3
55.05516	20.7
57.03444	6.4
57.07082	9.8
58.79432	0.7
67.05489	3.2
69.06729	1.5
69.07076	23.2
69.30992	3.3
69.31416	4.9
71.08630	5.1
79.05509	2.0
81.07060	4.2
83.08622	18.9
85.10169	2.3
93.07037	3.6
95.08617	4.2
97.06518	2.0
97.10172	12.1
98.20712	1.5
98.98487	7.5
107.08601	2.5
109.10149	1.6
111.11706	3.6
119.08533	0.8
121.10155	2.6
123.11669	1.0
135.11664	2.2
145.35574	0.7
149.13229	0.9
155.01051	4.6
173.02220	0.9
175.14752	0.8
237.22200	1.3
311.25818	100.0
312.25967	1.6
356.35846	0.9
370.46078	0.9
447.24933	3.4
460.34882	0.8
483.34512	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
55.05508	6.0
55.23054	2.2
57.03434	5.5
59.04987	3.5
67.05505	7.7
69.03428	23.5
69.07056	6.7
70.06596	3.3
71.04982	16.6
71.58771	2.5
71.59159	2.7
72.08155	5.4
73.06571	3.4
79.05496	10.2
81.03414	6.8
81.07045	23.2
83.04987	4.3
83.08611	2.9
84.08161	4.3
85.02901	25.3
85.06528	7.2
87.04472	10.5
89.06004	2.7
91.05489	12.6
93.07046	35.3
95.04971	5.4
95.08618	8.6
97.02892	20.0
97.06534	89.2
99.04451	4.0
105.07050	5.8
107.04992	2.0
107.08600	27.6
109.02848	3.3
109.10162	15.8
113.05990	2.6
113.07957	2.1
115.03922	16.3
117.03387	5.8
119.04926	9.4
120.08105	7.8
123.11722	6.8
127.03909	10.6
127.11267	3.4
133.04959	19.9
135.04370	2.6
135.11707	36.2
137.05902	2.2
137.13234	2.5
141.12756	22.4
145.02879	10.9
145.04985	4.5
147.04413	44.8
148.04749	5.1
149.06001	4.4
151.11110	2.3
153.12741	100.0
154.13155	3.7
166.05328	4.8
171.13808	90.1
172.14108	2.8
172.95253	6.8
177.05501	17.1
189.14856	5.5
207.07979	3.2
235.07571	3.4
237.09154	4.0
258.58533	2.5
263.07053	10.9
285.12131	4.0
291.06592	3.9
299.56827	2.3
300.77670	2.2
309.07706	3.4
325.07416	3.3
325.81830	2.2
419.06979	3.4
439.15338	4.8
483.14362	19.9
483.21338	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	483.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49533	1.4
53.03945	2.9
55.05508	5.5
57.03435	8.8
61.02931	1.7
67.05501	6.6
69.03430	13.9
69.07069	11.2
69.48513	13.2
70.06600	6.8
71.01335	1.5
71.04980	6.7
73.02908	10.7
78.41393	1.4
79.05486	10.0
81.03421	5.3
81.07057	15.3
82.06577	2.9
83.04972	3.6
83.06091	1.5
83.08659	1.9
85.02901	15.2
85.06537	13.5
86.06886	2.9
86.09702	3.7
91.05485	10.1
93.07038	29.6
93.07606	1.5
95.04968	3.7
95.06011	1.5
95.08595	7.5
97.02904	15.7
97.06528	100.0
98.97541	1.6
99.04458	2.6
105.07010	5.2
107.08601	29.2
109.02873	3.4
109.06542	1.8
109.10155	15.7
110.07115	1.9
113.07150	1.4
115.03942	8.1
117.03362	2.0
119.08582	3.1
120.08071	2.8
121.06486	1.6
121.10105	4.1
123.11686	2.0
127.03926	8.9
128.07115	2.2
129.10155	1.3
129.68388	1.5
131.08490	2.0
133.04964	5.3
133.10152	2.3
135.04478	1.8
135.11694	34.7
137.05983	1.8
137.13179	1.8
141.12737	9.1
145.02827	4.1
145.04936	3.2
145.10062	2.5
147.04376	4.4
147.11665	3.0
149.09587	2.1
153.12753	45.1
161.06013	2.1
163.03929	5.5
163.05981	1.8
171.13786	43.3
172.25870	1.6
177.00906	1.5
177.05441	6.1
189.14856	3.7
193.08643	2.3
193.65472	1.6
217.15817	2.5
237.02959	1.6
241.07164	1.5
254.08803	1.5
261.10089	2.1
336.01743	1.4
411.85065	1.5
429.69586	1.4
439.14813	1.9
447.22836	1.9
483.14825	37.6
484.14667	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49533	1.4
53.03945	2.9
55.05508	5.5
57.03435	8.8
61.02931	1.7
67.05501	6.6
69.03430	13.9
69.07069	11.2
69.48513	13.2
70.06600	6.8
71.01335	1.5
71.04980	6.7
73.02908	10.7
78.41393	1.4
79.05486	10.0
81.03421	5.3
81.07057	15.3
82.06577	2.9
83.04972	3.6
83.06091	1.5
83.08659	1.9
85.02901	15.2
85.06537	13.5
86.06886	2.9
86.09702	3.7
91.05485	10.1
93.07038	29.6
93.07606	1.5
95.04968	3.7
95.06011	1.5
95.08595	7.5
97.02904	15.7
97.06528	100.0
98.97541	1.6
99.04458	2.6
105.07010	5.2
107.08601	29.2
109.02873	3.4
109.06542	1.8
109.10155	15.7
110.07115	1.9
113.07150	1.4
115.03942	8.1
117.03362	2.0
119.08582	3.1
120.08071	2.8
121.06486	1.6
121.10105	4.1
123.11686	2.0
127.03926	8.9
128.07115	2.2
129.10155	1.3
129.68388	1.5
131.08490	2.0
133.04964	5.3
133.10152	2.3
135.04478	1.8
135.11694	34.7
137.05983	1.8
137.13179	1.8
141.12737	9.1
145.02827	4.1
145.04936	3.2
145.10062	2.5
147.04376	4.4
147.11665	3.0
149.09587	2.1
153.12753	45.1
161.06013	2.1
163.03929	5.5
163.05981	1.8
171.13786	43.3
172.25870	1.6
177.00906	1.5
177.05441	6.1
189.14856	3.7
193.08643	2.3
193.65472	1.6
217.15817	2.5
237.02959	1.6
241.07164	1.5
254.08803	1.5
261.10089	2.1
336.01743	1.4
411.85065	1.5
429.69586	1.4
439.14813	1.9
447.22836	1.9
483.14825	37.6
484.14667	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24920	2.7
53.03947	2.7
55.01867	8.5
55.05506	11.8
57.03442	22.8
59.05007	16.1
65.03938	5.3
67.05508	71.9
69.03435	26.8
69.07067	6.9
71.01361	39.4
71.04997	29.6
71.59319	3.6
73.02914	10.1
75.04482	10.6
75.33388	2.6
79.05495	28.3
81.03429	12.0
81.07060	36.7
83.04980	11.5
83.08615	5.6
85.02908	87.2
85.06548	41.1
86.09679	4.1
87.04465	23.0
91.05479	43.3
93.07046	46.3
95.01329	3.5
95.04364	5.3
95.04972	100.0
95.08607	17.2
97.02895	38.8
97.06531	22.1
99.00790	13.9
99.04453	22.5
101.02376	6.6
103.03945	13.5
103.05502	3.2
105.07037	78.7
105.86250	2.9
107.04964	7.2
107.08610	29.6
109.06544	5.1
109.10166	11.1
111.04467	10.0
111.08096	5.0
113.02359	23.0
113.06039	6.7
115.03933	4.1
115.05466	4.8
117.05502	4.7
117.07019	23.6
119.04965	5.5
119.08594	30.7
120.08121	6.3
121.06501	13.5
121.10162	8.6
123.08046	10.2
127.03912	12.2
128.06232	5.8
129.05492	5.6
129.07005	12.2
130.07765	3.2
131.03418	16.8
131.08569	79.8
133.06496	6.6
133.10153	15.4
135.08054	8.2
135.11688	4.3
137.09618	16.5
141.01834	4.0
141.07005	6.6
142.07805	7.6
143.08537	16.3
144.09343	7.8
145.04958	8.7
145.06485	7.4
145.10130	55.1
147.11668	16.9
149.09653	4.5
151.72632	2.8
155.08606	9.9
157.08969	2.8
157.10118	19.5
159.02928	4.7
159.08078	10.2
159.11697	53.7
161.09673	4.3
163.11276	3.3
169.08633	24.1
169.10106	6.5
171.06638	3.5
171.11662	7.6
173.09683	15.2
173.13275	78.9
175.11214	4.9
175.14960	4.6
177.12741	14.5
183.11707	11.1
187.11200	21.0
189.12737	3.2
189.16426	3.1
191.10640	3.2
191.14320	58.1
201.12741	67.0
205.12309	11.3
211.09668	6.4
215.05513	7.5
215.10629	15.5
216.15515	2.7
217.12300	3.0
219.13803	50.1
233.11719	3.6
235.13567	3.1
235.17020	5.8
247.08147	4.6
275.16431	5.7
285.17245	4.8
286.17154	15.5
289.14450	3.0
293.17456	32.5
309.09830	6.1
335.18741	3.6
345.11972	6.8
359.13412	49.3
415.17685	4.2
465.21207	12.0
483.22708	36.9
501.00769	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	483.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44066	1.8
53.03938	3.0
55.01868	3.8
55.05501	7.6
55.29209	2.4
57.03440	13.9
59.04992	6.8
67.05178	2.9
67.05505	38.3
69.03434	19.8
69.07060	6.5
69.43768	19.0
70.61949	1.9
71.01357	22.2
71.04994	17.8
73.02901	5.3
74.34306	1.9
75.04473	4.5
79.05496	24.5
81.03395	6.3
81.06586	2.5
81.07057	36.7
82.28941	2.2
83.04993	11.1
85.02432	3.1
85.02910	49.9
85.06553	19.4
87.04469	16.9
91.05478	31.2
93.07037	30.4
93.08583	2.4
95.04969	47.3
95.08612	20.4
97.02901	21.3
97.06519	16.2
99.00807	10.8
99.04441	11.7
101.02364	2.8
103.03947	15.3
103.05492	3.4
105.07032	58.1
107.04932	3.3
107.08605	24.2
109.06499	7.0
109.10143	7.2
111.04424	9.0
111.08081	3.6
113.02375	13.7
113.06039	2.8
115.05463	2.2
116.06244	3.0
117.07027	14.5
119.08581	18.6
121.06518	12.3
121.10151	5.1
123.08067	7.1
123.11684	3.1
127.03902	4.7
128.41951	2.7
129.05473	4.2
129.06985	12.2
131.03378	9.0
131.07573	3.9
131.08568	65.0
133.06483	3.4
133.10129	19.2
135.08049	4.9
135.11710	3.1
137.09630	3.8
137.13257	6.2
141.01811	3.5
141.07018	3.4
142.07758	4.0
143.08559	7.7
144.09326	4.5
145.04980	2.5
145.06483	4.4
145.10127	28.3
147.08104	2.9
147.11726	10.5
149.09625	2.9
151.11174	10.4
154.13095	2.4
155.08508	11.4
157.10149	11.9
159.03008	2.8
159.08078	6.2
159.11691	38.9
161.13283	4.6
167.28168	2.5
169.08620	9.1
171.06494	2.7
171.11768	4.0
173.08214	2.9
173.09676	6.5
173.13266	74.4
175.11168	4.9
177.12758	13.5
183.11714	12.6
187.11174	2.2
189.12666	3.5
191.14317	41.9
194.12573	3.1
199.11307	2.6
201.12753	100.0
206.13292	2.1
212.13774	4.0
215.05510	3.3
215.10683	4.7
215.14418	2.4
217.15857	5.0
217.50276	2.2
219.13797	58.9
219.15935	3.2
229.07063	2.2
237.14801	4.2
247.08014	3.9
249.08907	5.3
263.07144	4.0
275.16666	4.6
285.16995	3.5
286.17328	10.9
293.17453	32.4
317.17343	3.8
359.13419	26.4
415.17661	4.8
453.99374	2.4
458.46463	2.3
465.21121	27.7
483.22299	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79240	0.8
53.03944	4.7
55.01878	3.8
55.05506	2.1
57.03436	4.3
61.02913	2.5
67.05495	2.3
68.99784	2.2
69.03078	1.3
69.03429	18.0
69.07056	1.8
69.43553	6.7
71.04975	2.7
73.02909	3.4
77.56094	0.7
79.05494	3.1
81.03410	16.7
81.07056	6.9
81.23063	0.7
83.04984	2.9
83.08602	0.9
85.02899	40.4
87.00822	13.9
91.03969	1.7
91.05479	3.7
93.07030	11.7
95.04972	1.1
95.08607	6.3
97.02885	11.7
97.06541	1.1
99.04434	7.0
105.01858	9.0
105.07024	7.7
107.04938	1.4
107.08601	6.2
109.02876	15.9
109.06539	1.9
109.10131	4.9
117.01852	2.7
119.08604	4.4
121.06488	2.4
121.10136	3.5
123.08025	1.4
123.11717	1.1
125.89400	0.8
127.03911	29.4
127.07555	1.1
129.01782	1.9
129.07007	0.9
129.88197	1.0
131.08569	2.2
133.10104	7.4
135.11673	8.8
143.08516	1.9
145.04950	9.8
145.10120	2.2
147.02849	1.3
147.07996	1.5
147.11691	5.6
149.09604	2.1
149.13239	1.7
151.07608	1.0
157.10158	3.9
159.01906	0.9
159.02905	9.5
159.11682	5.2
161.09608	2.2
161.13240	1.3
173.13228	3.2
175.11194	2.3
175.14819	4.1
187.14856	1.3
189.16406	4.1
195.11690	0.8
199.14859	4.0
205.15854	2.3
213.04012	1.0
217.15919	6.6
231.04996	4.9
232.32489	1.0
235.16914	100.0
236.17284	1.0
345.08139	0.8
447.92783	0.8
483.22122	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	483.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44066	1.8
53.03938	3.0
55.01868	3.8
55.05501	7.6
55.29209	2.4
57.03440	13.9
59.04992	6.8
67.05178	2.9
67.05505	38.3
69.03434	19.8
69.07060	6.5
69.43768	19.0
70.61949	1.9
71.01357	22.2
71.04994	17.8
73.02901	5.3
74.34306	1.9
75.04473	4.5
79.05496	24.5
81.03395	6.3
81.06586	2.5
81.07057	36.7
82.28941	2.2
83.04993	11.1
85.02432	3.1
85.02910	49.9
85.06553	19.4
87.04469	16.9
91.05478	31.2
93.07037	30.4
93.08583	2.4
95.04969	47.3
95.08612	20.4
97.02901	21.3
97.06519	16.2
99.00807	10.8
99.04441	11.7
101.02364	2.8
103.03947	15.3
103.05492	3.4
105.07032	58.1
107.04932	3.3
107.08605	24.2
109.06499	7.0
109.10143	7.2
111.04424	9.0
111.08081	3.6
113.02375	13.7
113.06039	2.8
115.05463	2.2
116.06244	3.0
117.07027	14.5
119.08581	18.6
121.06518	12.3
121.10151	5.1
123.08067	7.1
123.11684	3.1
127.03902	4.7
128.41951	2.7
129.05473	4.2
129.06985	12.2
131.03378	9.0
131.07573	3.9
131.08568	65.0
133.06483	3.4
133.10129	19.2
135.08049	4.9
135.11710	3.1
137.09630	3.8
137.13257	6.2
141.01811	3.5
141.07018	3.4
142.07758	4.0
143.08559	7.7
144.09326	4.5
145.04980	2.5
145.06483	4.4
145.10127	28.3
147.08104	2.9
147.11726	10.5
149.09625	2.9
151.11174	10.4
154.13095	2.4
155.08508	11.4
157.10149	11.9
159.03008	2.8
159.08078	6.2
159.11691	38.9
161.13283	4.6
167.28168	2.5
169.08620	9.1
171.06494	2.7
171.11768	4.0
173.08214	2.9
173.09676	6.5
173.13266	74.4
175.11168	4.9
177.12758	13.5
183.11714	12.6
187.11174	2.2
189.12666	3.5
191.14317	41.9
194.12573	3.1
199.11307	2.6
201.12753	100.0
206.13292	2.1
212.13774	4.0
215.05510	3.3
215.10683	4.7
215.14418	2.4
217.15857	5.0
217.50276	2.2
219.13797	58.9
219.15935	3.2
229.07063	2.2
237.14801	4.2
247.08014	3.9
249.08907	5.3
263.07144	4.0
275.16666	4.6
285.16995	3.5
286.17328	10.9
293.17453	32.4
317.17343	3.8
359.13419	26.4
415.17661	4.8
453.99374	2.4
458.46463	2.3
465.21121	27.7
483.22299	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01859	2.8
55.05495	2.8
57.03418	2.2
61.02919	0.6
67.05505	4.7
68.99786	1.1
69.03071	1.0
69.03428	11.1
69.07062	2.4
70.03295	2.8
71.01345	0.7
71.04980	2.3
73.02914	1.7
79.05489	3.2
81.03416	9.5
81.07063	8.0
83.04967	1.9
85.02907	20.3
85.06535	4.4
87.00822	7.7
87.04458	0.8
91.03963	0.6
91.05486	5.7
93.07050	7.8
95.04967	2.6
95.08599	9.3
97.02899	7.2
97.06516	2.0
99.04452	3.7
105.01862	4.3
105.07032	10.2
107.04944	1.8
107.08594	8.4
109.02879	9.7
109.06507	3.3
109.10155	4.3
111.04429	0.8
111.08068	3.4
113.62038	0.6
117.01845	1.2
117.06996	2.2
119.04920	0.6
119.08585	13.7
121.06574	3.5
121.10136	4.5
123.08060	7.9
123.11663	0.7
127.03912	14.6
128.06180	1.4
129.01840	1.2
129.06982	2.6
131.08572	5.7
133.06450	1.3
133.10123	7.1
135.08054	2.9
135.11688	2.3
137.09616	12.2
142.07773	1.5
143.08560	7.2
144.09283	0.8
145.04933	4.5
145.10121	3.8
147.08035	6.7
147.11664	4.6
149.09598	2.5
149.13246	1.1
157.10130	8.3
159.02893	4.6
159.11697	17.6
161.09644	5.8
161.13240	1.3
163.11108	0.9
171.11700	3.3
173.13258	6.0
175.11189	2.1
175.14799	4.2
177.12686	1.0
179.10603	0.8
187.11191	1.0
189.12686	0.7
189.16396	3.5
191.14268	1.3
199.14813	8.8
201.12770	2.8
213.03932	1.0
217.15878	100.0
218.16231	1.3
231.05043	3.0
235.16943	18.0
268.50482	0.6
293.17438	1.2
339.88815	0.6
465.22333	0.8
483.22003	2.2
483.25348	2.8
483.39166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01865	4.2
55.05503	2.7
57.03433	3.3
57.66186	0.9
61.02913	3.4
65.03899	1.5
67.05493	4.2
68.99767	2.4
69.03431	40.9
69.07053	2.8
71.04985	3.2
71.59084	1.2
73.02909	3.9
79.05491	4.8
81.02983	1.5
81.03419	20.7
81.07066	9.0
83.04982	2.1
85.02907	45.4
85.06529	4.5
86.09640	1.1
87.00823	15.2
89.03965	1.0
91.05486	7.8
93.07039	11.4
95.04963	2.7
95.08599	7.5
97.02885	12.1
97.06557	2.2
99.04448	9.3
103.03920	1.1
105.01862	14.0
105.07031	15.5
105.29797	1.0
107.04943	1.9
107.08607	10.4
109.02875	19.6
109.03591	1.5
109.06496	4.8
109.10164	3.8
111.08080	2.9
117.01806	1.5
117.07078	1.1
119.04946	4.1
119.08573	10.3
121.06491	2.4
121.10142	7.3
123.08057	4.1
123.11727	1.5
125.09604	2.4
127.03919	38.0
129.01848	2.8
131.08528	2.8
133.06482	1.2
133.10136	13.1
135.04453	1.4
135.08043	3.5
135.11699	2.2
137.05960	1.9
137.09511	1.0
142.07759	1.2
143.08539	3.0
145.04939	13.9
145.10115	2.2
147.02908	2.6
147.04398	13.9
147.08073	2.2
147.11694	3.2
149.09552	2.1
151.11136	1.4
157.10117	5.3
159.02881	11.2
159.08060	1.1
159.11691	6.6
161.09622	3.8
161.13251	1.1
163.03893	12.3
163.11201	1.5
165.09096	1.4
167.07028	1.7
171.11705	1.3
173.13255	1.0
175.11203	3.2
175.14818	3.9
177.12741	2.2
179.08525	1.2
181.04990	1.5
187.11186	1.3
189.03938	1.7
189.09114	1.3
189.16418	2.5
192.13750	0.9
199.14824	4.5
205.15869	1.3
212.10744	1.0
213.03996	2.6
215.14420	1.3
217.15874	16.3
225.11224	2.3
231.04982	9.7
235.16925	100.0
313.54626	1.0
465.11514	1.2
483.11584	12.7
483.22244	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
53.91354	1.0
55.01873	4.3
55.05510	3.1
57.03425	4.1
57.07052	0.9
61.02915	2.3
67.05511	4.4
68.88346	0.8
69.03431	16.6
69.07053	3.8
70.05684	5.1
70.42417	0.9
71.04985	3.9
73.02901	2.7
79.05489	9.6
81.03415	19.0
81.07066	6.3
83.04968	2.6
85.02902	26.6
85.06514	0.9
87.00824	10.9
91.03966	0.9
91.05486	8.9
93.07045	12.1
95.04951	4.0
95.08597	4.3
97.02887	12.1
97.06523	4.0
98.20860	1.2
99.04453	5.7
104.29375	0.9
105.01855	8.3
105.07030	24.9
107.04981	6.4
107.08601	7.3
109.02879	15.1
109.06467	1.9
109.10164	6.3
111.08078	7.0
113.06013	2.4
115.05473	1.2
117.01871	1.4
117.07010	3.1
119.04942	2.0
119.08584	15.4
120.08109	0.9
121.06501	2.3
121.10147	4.4
123.08092	2.4
125.09625	3.3
127.03921	22.0
129.01817	1.3
129.07014	1.8
131.08553	4.3
133.06503	1.4
133.10127	76.5
135.08038	2.0
135.11711	1.8
137.06010	1.6
137.09610	7.9
141.06943	1.3
142.07776	6.0
143.08589	2.5
145.02907	1.7
145.04968	7.4
145.10100	4.4
147.02873	1.3
147.04407	5.3
147.08063	2.8
147.11713	8.4
149.09598	2.3
156.09238	1.0
157.10126	44.2
159.02907	10.6
159.11688	4.1
161.09621	12.2
161.13251	2.1
163.03922	5.5
163.11166	3.1
171.11649	2.3
173.02344	3.6
173.13274	2.6
175.11183	17.0
175.14816	10.2
177.05470	1.8
177.09065	1.8
177.12761	1.3
179.10658	1.7
189.12744	2.5
189.16368	7.1
192.11426	5.7
199.14789	5.9
201.16496	1.4
215.07001	3.3
217.15875	100.0
218.16161	2.4
219.17351	2.6
231.04994	3.3
235.16927	47.0
238.76289	1.0
241.08678	1.8
249.99016	1.0
259.09714	5.1
273.11227	5.7
274.04300	1.3
287.04892	1.0
289.05408	2.0
433.08359	1.2
483.11707	10.7
483.17511	1.6
484.12552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09507	0.4
51.96073	0.4
52.51622	0.5
53.03951	1.0
55.01859	1.3
55.05502	2.2
57.03440	0.6
57.07072	0.5
60.45117	0.5
61.02925	0.7
65.03941	0.5
67.05501	3.8
69.03432	4.8
69.07066	3.1
69.31039	4.5
71.04996	1.0
73.02912	0.8
79.05491	4.7
81.03404	2.6
81.07055	9.6
83.04979	0.9
83.08621	1.0
85.02907	11.6
87.00819	2.8
91.05482	7.7
93.07041	8.6
95.04970	1.2
95.08604	10.9
97.02886	2.2
97.06540	1.3
97.10164	0.4
99.04459	1.3
103.05512	0.5
105.01878	3.5
105.07034	20.6
107.08596	24.8
108.09404	0.9
109.02877	3.2
109.06514	4.8
109.10155	3.6
111.08080	4.9
113.05959	0.6
117.07024	2.1
119.08583	19.7
121.06506	1.7
121.10149	4.3
123.08070	5.1
123.11700	3.1
125.09618	0.5
127.03926	6.8
127.07525	0.5
128.06219	1.2
129.01895	0.5
129.07002	1.1
131.08583	3.3
133.06494	1.8
133.10130	33.3
134.34613	0.4
135.08057	2.2
135.11714	1.7
137.09624	1.1
138.21962	0.4
142.07823	1.2
143.08539	2.9
145.04987	2.1
145.06381	0.4
145.10126	4.1
146.07336	0.7
147.08044	9.1
147.11705	6.2
148.08839	1.1
149.09651	1.9
149.13243	0.5
151.07562	0.5
155.90088	0.4
156.09317	0.4
157.10132	4.0
159.02939	1.3
159.08173	0.5
159.11691	3.8
160.08873	0.4
161.09624	65.0
161.13213	2.0
162.10333	0.9
163.11198	2.6
163.14772	1.0
171.11678	1.3
173.13293	3.6
175.11211	4.6
175.14832	8.4
179.10713	0.6
187.11111	0.5
189.12730	1.4
189.16367	7.6
191.14330	0.9
199.14806	4.4
201.91821	0.4
215.14145	0.5
217.15884	27.6
231.05016	1.3
235.16925	100.0
236.17419	0.9
297.15482	0.4
400.43509	0.4
440.19772	0.4
483.22067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24570	0.4
53.03928	1.7
54.84410	0.4
55.01875	2.0
55.05501	0.9
56.45378	0.4
57.03417	1.7
57.07051	0.4
61.02921	1.4
63.25837	0.4
67.05484	1.9
69.03428	7.3
69.07052	1.7
70.93490	0.6
70.93821	0.8
71.04985	1.5
73.02898	1.2
79.05473	1.7
81.03417	6.3
81.07058	4.2
83.04973	0.5
83.08597	0.6
85.02905	16.9
87.00823	5.2
91.05471	3.3
93.07062	3.3
95.04961	1.9
95.08601	6.1
97.02878	4.6
97.06519	3.5
97.51804	0.5
99.04470	2.8
103.03994	0.5
105.01865	4.1
105.07024	9.0
107.08584	6.6
109.02874	5.8
109.06503	1.8
109.10126	2.3
111.08070	9.2
117.01818	0.8
117.07028	1.1
119.04948	0.9
119.08582	7.5
121.06503	1.9
121.10143	3.7
123.08075	4.4
124.50800	0.4
125.09615	0.4
126.92196	0.4
127.03911	11.0
129.01819	0.7
129.06999	0.7
131.08537	2.7
133.06462	0.7
133.10124	5.6
135.04405	0.7
135.08064	1.1
135.11632	0.5
137.09642	2.3
142.07771	0.8
143.08543	2.9
145.04968	3.6
145.10152	3.1
147.02875	0.8
147.04384	2.8
147.08080	1.3
147.11702	2.4
149.09602	1.4
156.09306	0.5
157.10133	3.6
159.02888	2.9
159.11665	4.8
161.09625	4.8
161.13240	1.2
162.10362	0.6
163.03902	2.6
163.11140	1.5
167.07045	0.4
171.11641	1.3
173.13245	2.7
175.11180	6.8
175.14828	2.1
177.12781	4.7
179.10487	0.6
187.14854	0.6
189.12732	1.4
189.16370	2.7
191.03363	0.9
193.03889	0.7
199.14798	5.0
202.13594	0.6
213.03868	0.5
217.15858	16.4
218.16078	0.5
231.04930	2.2
235.16919	100.0
236.17258	1.5
273.03964	0.5
274.04395	0.5
275.04507	1.2
296.28705	0.4
319.08286	0.5
483.21838	1.8
484.13092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81086	0.6
55.01846	0.6
55.05499	0.9
67.05500	1.1
69.03414	1.3
69.07061	1.8
70.06587	0.7
72.95818	0.6
79.05495	2.4
81.07069	4.4
83.04988	0.7
83.08604	0.7
85.02897	1.7
87.00760	0.6
89.03915	1.4
91.05488	3.4
93.07035	2.6
95.04972	2.4
95.08597	3.8
97.02899	0.8
97.06506	1.1
105.07052	1.7
107.08585	2.9
109.06485	0.9
109.10159	2.7
117.03381	1.2
117.07061	0.6
119.01927	0.7
119.04945	5.2
119.08527	1.4
121.10128	4.1
123.08098	0.6
127.03902	1.4
131.08640	0.8
133.10117	1.5
135.04401	3.5
135.11685	1.3
135.17163	0.6
135.32886	0.6
137.13231	1.0
145.02847	2.3
145.10072	1.2
147.04417	25.4
151.11171	0.9
159.11662	0.9
163.03911	19.0
177.16393	1.5
219.02040	0.7
229.58363	0.9
245.06551	1.0
250.52762	0.6
271.04379	0.8
289.05167	1.5
303.08600	1.7
319.08170	3.1
397.21753	2.9
429.86874	0.7
439.22974	13.7
465.20984	1.2
483.22028	100.0
484.22214	1.7
505.19528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
53.00303	0.6
53.03944	1.8
55.05511	2.8
56.96563	1.3
57.07070	0.9
64.87749	0.5
67.05491	1.5
69.07070	1.8
70.06584	1.5
71.04990	2.1
71.58746	0.6
77.03934	0.6
79.05491	7.2
79.93629	0.5
81.07046	3.5
83.04973	0.6
84.04494	0.6
84.08136	0.4
85.02905	1.3
86.09687	0.7
91.05474	12.6
91.35668	0.5
92.18053	0.5
93.07041	84.1
94.07365	0.7
95.04987	2.3
95.08608	1.3
97.02892	1.2
97.06525	3.2
98.97573	0.6
105.04515	0.8
105.07014	4.0
107.04963	0.6
107.08590	45.3
108.08932	0.6
108.84533	0.5
109.06541	1.3
109.10176	0.7
110.07159	1.0
111.15461	0.5
116.07161	0.5
116.98619	1.0
117.03388	1.0
119.04867	0.6
119.08577	1.9
120.09361	0.7
123.11728	0.8
127.03929	0.9
135.11688	100.0
136.07570	0.8
136.11974	0.6
145.02852	1.7
147.04442	2.6
153.12746	9.7
155.77156	0.5
163.03925	1.1
167.07042	0.9
171.13826	0.8
177.05472	2.1
200.36751	0.6
211.06308	0.5
233.09366	24.7
251.10414	5.4
295.12012	0.5
299.61179	1.2
321.09991	1.6
339.11179	4.0
358.04712	0.5
362.12289	0.5
363.11069	1.2
483.15305	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	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67828	1.6
53.03946	2.9
53.47718	1.9
54.08353	1.7
54.34029	1.8
55.01867	9.0
55.05510	7.0
57.03428	9.9
59.36135	1.9
63.57412	1.8
67.05515	11.3
69.03429	6.1
69.07066	4.8
69.37504	19.4
71.01349	6.3
71.04986	6.5
73.02923	10.0
75.04477	2.3
79.05496	22.1
81.03420	5.5
81.07049	13.5
82.04196	1.6
83.04986	6.3
85.02911	19.9
91.05483	22.1
93.07047	28.7
95.01327	8.9
95.04965	16.4
95.08604	6.6
97.02912	10.8
97.06544	8.1
98.18193	1.6
99.04451	7.3
101.02374	3.6
103.03935	2.7
103.05445	2.2
105.07032	52.4
107.04942	10.7
107.08578	11.8
109.02858	4.3
109.06509	4.7
109.10172	3.6
113.02374	7.8
113.06036	4.7
115.05441	3.0
117.07025	22.3
117.90060	1.8
119.04941	10.5
119.08578	17.1
121.06500	38.7
121.10135	5.6
123.04439	3.0
125.05962	1.9
125.09772	1.6
126.79617	1.6
127.03917	2.5
128.06224	6.6
129.05511	2.2
129.07002	11.5
130.07777	12.0
131.03407	3.1
131.04913	2.5
131.08571	36.2
133.06502	6.6
133.10146	18.2
135.04428	2.5
135.08105	2.8
136.89441	1.8
137.05954	2.6
139.07610	2.1
141.01810	14.8
141.06982	6.8
142.07768	9.2
143.08560	16.6
144.05746	3.2
144.09349	10.6
145.06491	21.7
145.10127	91.1
147.08046	4.1
147.11702	12.1
149.09627	2.8
153.06929	2.6
154.07782	6.6
155.08543	7.4
156.09357	2.2
157.06490	1.8
157.10126	20.2
158.07259	12.6
159.02864	2.3
159.08081	25.9
159.11697	65.6
161.09650	5.6
161.13272	3.3
163.03931	2.0
163.07573	3.0
167.08595	4.7
169.06345	2.2
169.08720	3.7
169.10147	20.1
171.08006	4.1
171.11700	5.1
172.08841	11.4
173.02393	4.3
173.06036	2.1
173.09624	57.5
173.13188	2.4
175.07568	2.5
175.11249	5.0
175.14810	2.8
177.12775	2.0
179.08650	4.4
181.06462	2.2
181.10092	2.2
182.07253	2.9
183.08063	2.0
185.09622	6.6
187.11186	100.0
189.12724	3.0
191.10678	6.6
195.10085	3.4
197.09631	16.0
199.11183	4.0
205.12253	16.2
211.07437	2.1
213.09123	5.9
215.07297	3.6
215.10678	83.4
217.15845	10.4
227.10625	3.1
233.11754	10.3
235.16888	7.2
239.10736	2.3
241.12328	2.4
253.12222	2.1
256.11084	2.2
259.09592	1.9
263.10611	3.2
265.11826	2.3
265.14310	5.7
268.61798	1.9
270.12436	4.9
273.11169	4.7
279.16019	6.0
281.11630	4.1
286.17432	2.4
289.05237	2.2
289.14343	42.1
291.10110	2.3
299.12906	3.3
303.23157	2.5
307.15381	29.1
309.11115	2.1
311.12723	2.4
327.12314	7.4
331.11737	3.7
337.10556	2.0
345.13446	5.3
346.29953	1.8
349.13174	2.3
355.11963	2.2
373.12894	3.0
419.17380	2.5
447.16617	2.1
483.11115	4.7
483.18488	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	483.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54752	1.0
51.02381	1.4
51.35419	1.1
53.03939	2.7
55.01864	6.9
55.05505	7.8
57.03196	0.9
57.03441	7.5
57.07054	1.0
61.02917	2.1
65.03937	1.7
67.05508	8.8
67.41345	1.0
68.99767	1.7
69.03133	1.0
69.03432	11.3
69.07074	9.3
71.01339	3.6
71.04987	4.1
71.60112	1.3
73.02918	3.7
75.04465	2.5
79.05494	19.9
80.18136	0.9
81.03425	8.1
81.07055	13.0
83.04984	10.1
85.02904	25.5
85.06519	1.1
85.94505	1.1
87.00850	4.9
91.05475	12.0
92.29370	1.0
93.07043	15.3
95.01302	3.5
95.04967	9.9
95.08588	5.6
97.02892	10.0
97.06524	25.0
97.91608	1.0
99.00793	2.1
99.04439	5.3
101.02363	1.4
103.03945	3.1
103.05443	2.7
105.01881	1.2
105.07031	100.0
107.04956	7.3
107.08595	8.4
109.02890	5.8
109.06517	4.4
109.10130	4.1
111.04426	1.3
111.08087	6.2
113.02369	4.6
113.05984	1.7
115.05439	2.9
117.07007	11.0
119.04964	4.9
119.08583	15.9
121.06506	19.7
121.10162	4.8
122.10473	1.0
123.04479	1.5
123.08086	2.9
123.11663	1.4
123.26763	1.0
125.05972	1.9
125.81569	1.1
127.03913	9.3
128.06212	4.4
129.01837	1.0
129.05455	2.2
129.06993	7.1
130.07771	5.6
131.03391	2.4
131.04926	2.8
131.08572	18.9
133.02872	2.5
133.06531	5.3
133.10129	12.9
135.04396	4.6
135.08058	3.3
135.11682	2.5
137.05962	1.9
137.09686	1.1
139.07503	1.7
141.01837	8.9
141.06966	4.2
142.07747	4.5
143.08557	14.6
144.09355	7.6
145.02791	1.6
145.04918	2.5
145.06468	11.2
145.10124	55.1
147.02835	1.2
147.04396	4.0
147.08040	5.0
147.11667	7.1
149.06038	1.8
149.09589	2.6
151.03893	1.3
151.07561	5.4
152.06218	1.1
153.06944	1.6
154.07791	7.2
155.08540	7.0
156.09334	2.3
157.06470	2.4
157.10139	14.8
158.07269	9.6
159.02881	2.6
159.04373	2.7
159.08058	14.2
159.11693	46.4
161.02316	3.8
161.05942	2.0
161.09607	6.7
161.13260	2.4
163.03906	16.1
163.11165	3.7
167.08551	4.1
169.08717	1.7
169.10127	18.9
171.04323	1.3
171.08035	3.8
171.11694	4.2
172.08813	6.6
173.02350	34.1
173.09625	39.2
173.13206	1.4
175.03815	1.2
175.07541	4.5
175.11185	15.8
175.14813	2.2
177.05476	3.1
178.07716	1.6
179.08536	4.4
181.06454	1.6
181.10068	1.7
182.07243	2.9
183.08061	1.3
185.05986	2.4
185.09666	4.9
185.13289	1.4
187.07573	1.9
187.11183	59.5
187.14758	2.0
188.11511	2.0
189.05437	1.3
189.12698	3.8
189.16365	5.3
191.03392	3.7
191.10678	2.8
193.10083	1.3
195.08028	1.7
196.08855	1.3
197.09625	17.1
199.07538	1.3
199.11218	2.0
199.14862	2.0
203.06927	1.2
203.10640	2.4
205.12236	3.6
207.10196	8.1
213.09108	4.3
215.05089	2.2
215.07100	35.2
215.10649	48.0
216.11008	1.2
217.08636	2.0
217.15881	30.2
219.17429	2.0
221.09494	1.2
223.07607	1.9
223.11130	1.5
225.09035	1.5
227.10641	1.5
233.08017	1.4
233.11754	3.0
235.09630	25.4
235.11815	1.9
235.16936	27.5
241.08612	17.8
259.09705	29.4
261.14893	2.0
265.12146	2.1
273.11197	45.1
277.10611	7.5
278.44833	1.0
279.15897	3.2
285.21967	1.1
289.14355	11.8
291.12277	3.4
303.23062	1.7
307.15390	47.0
321.24207	1.8
325.10757	1.6
465.17279	2.2
483.18237	14.2
483.28976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01870	4.9
55.05512	5.8
57.03436	5.3
67.05505	6.7
69.03429	9.3
69.07066	30.4
79.05484	13.4
81.03397	3.9
81.07074	13.9
83.04979	5.9
84.32500	2.9
85.02900	15.3
85.06554	3.9
91.05486	6.7
93.07032	9.9
95.04963	7.1
95.08597	7.9
97.02877	8.6
97.06535	76.1
98.21474	5.0
105.07020	12.4
107.08596	8.6
109.02856	3.2
109.10140	8.2
111.08099	5.7
119.08596	10.3
120.08159	3.5
121.06519	7.9
121.10145	7.6
123.08028	3.2
127.03915	10.9
133.10126	9.8
135.04425	7.0
135.08040	8.5
137.09592	3.0
137.42496	2.9
142.07748	3.5
145.02881	4.4
145.10117	10.1
147.04413	8.2
147.11703	5.9
147.39264	2.7
149.09631	4.6
157.10104	6.7
159.04405	7.3
159.11743	6.9
161.02333	23.0
161.09656	7.2
163.03917	52.2
169.10027	3.3
173.02362	65.3
173.13214	3.6
177.05414	5.5
185.13313	4.9
189.16426	5.7
191.03412	11.1
199.14728	3.9
215.07043	91.5
217.15921	14.6
233.08092	6.3
235.16974	14.2
241.08530	17.1
259.09695	28.9
273.11227	24.3
291.12265	100.0
303.23163	4.8
361.14108	3.4
395.04279	3.2
439.19345	3.7
483.17917	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	483.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02550	0.7
53.00292	0.7
53.03940	1.9
55.01859	1.9
55.05503	1.5
57.03416	1.9
58.35864	0.7
61.02913	2.3
67.05492	2.1
68.99772	1.7
69.03088	0.8
69.03432	11.2
69.07050	2.5
70.19141	2.2
71.04972	2.2
73.02905	2.7
79.05484	1.9
81.03418	11.1
81.03863	1.4
81.07041	2.2
85.02904	21.0
87.00826	8.8
88.59420	0.7
91.05457	2.7
93.07021	1.5
95.04961	1.9
95.08597	1.7
97.02882	8.5
97.06516	3.0
99.04451	3.7
103.03966	0.9
105.01875	6.7
105.07010	3.1
107.04952	1.3
107.08585	2.1
109.02886	8.4
109.10151	3.0
111.08059	1.6
117.01853	0.9
117.07042	0.9
119.04910	0.9
119.08530	4.0
121.06530	1.0
121.10165	1.7
123.08063	1.0
127.02979	1.1
127.03915	17.4
128.06180	0.9
129.01843	1.4
129.06953	0.8
131.04967	1.6
133.06500	1.1
133.10112	3.1
135.04405	1.2
135.08026	0.8
137.05965	0.9
142.07722	0.9
143.08504	1.3
145.04974	5.1
145.05933	1.0
145.10133	1.0
147.02850	0.9
147.04425	5.5
147.08073	5.0
147.11664	1.0
149.09583	1.0
157.10133	2.3
159.02898	7.7
159.04163	1.3
159.08058	0.8
159.11697	1.3
161.02312	0.8
161.05975	1.9
161.09613	2.0
163.03897	6.9
163.11162	2.2
171.07983	1.7
173.02357	7.0
173.05980	0.8
175.07550	13.6
175.11171	6.5
175.14807	1.6
179.07053	0.8
187.07596	1.1
189.05493	4.3
189.09105	2.1
189.16425	2.2
199.07526	3.7
199.14819	1.1
203.07053	0.9
215.07019	6.2
217.08551	7.6
217.15887	13.4
229.08568	1.9
231.05034	2.0
231.10017	1.2
235.09642	100.0
235.16898	8.2
241.08647	4.4
247.09686	1.6
259.09665	13.0
265.08701	1.0
270.07974	0.7
273.11176	7.6
277.10699	25.1
283.09778	1.4
301.10709	5.1
325.10773	4.1
343.11768	7.4
483.21396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86876	0.2
52.15014	0.2
53.03941	0.2
55.05514	0.6
56.56036	0.3
57.03421	0.2
63.02385	0.4
65.03933	1.3
67.05504	0.9
69.03424	0.3
70.06595	0.3
70.28364	0.4
70.28789	0.8
79.05495	1.2
81.07058	0.6
83.04981	1.0
84.21810	0.2
89.03911	5.8
91.05478	10.6
95.04962	3.8
95.29258	0.2
98.20804	0.2
107.04960	1.5
111.04468	0.7
117.03375	6.9
119.04935	24.3
135.04408	14.7
140.26573	0.2
145.01953	0.2
145.02843	11.0
147.04401	100.0
148.04759	1.0
158.06032	0.2
163.03896	78.1
164.04256	0.9
165.05513	0.6
181.04933	0.4
186.05417	0.4
198.30783	0.2
217.15909	0.2
233.58032	0.3
303.08609	7.9
319.08105	13.4
320.08438	0.4
413.08920	0.2
427.75156	0.2
483.12637	8.3
483.21741	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20648	0.5
69.03416	1.2
69.46228	0.5
71.11035	1.1
81.07069	0.7
83.16975	0.5
85.02901	2.7
91.05493	1.6
95.08610	0.7
97.02888	2.9
105.07047	1.0
109.10143	0.7
115.03984	0.8
119.08527	0.8
121.10160	1.0
123.11700	0.9
125.06000	0.6
127.00027	0.5
127.03920	0.7
131.04936	0.7
133.04947	0.5
145.02919	0.7
145.71585	0.5
149.09616	1.4
164.13644	0.5
171.13892	0.7
189.05223	1.0
189.12825	1.0
207.13834	0.7
219.06248	1.4
227.05276	0.9
234.08624	11.5
235.09445	6.1
271.04330	2.3
281.07910	0.5
397.14725	3.7
439.09781	1.1
439.15793	21.2
483.14780	100.0
484.15262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.05505	0.4
55.77463	0.2
63.02369	0.5
63.47021	0.3
65.03941	1.1
67.05505	0.8
69.03429	0.8
69.27496	2.5
70.06600	0.7
79.05496	1.1
81.03442	0.3
81.07065	0.6
83.04990	1.2
85.02882	0.5
89.03915	6.8
91.05484	11.7
93.03435	0.4
93.07053	0.5
95.04966	4.1
97.02888	0.6
99.04466	0.3
100.94449	0.3
105.07032	0.7
106.01331	0.3
107.04950	2.2
107.08549	0.3
109.10130	0.3
111.04477	0.9
117.03384	6.8
117.06978	0.3
119.04944	25.0
119.08577	0.7
120.08094	0.3
125.09622	0.3
127.03914	0.9
133.10168	0.7
135.04416	16.4
145.02850	12.1
145.04008	0.6
145.10172	0.4
146.03238	0.3
147.04410	100.0
148.04797	0.6
159.11739	0.4
161.09584	0.3
162.18906	0.3
163.03905	87.8
164.04274	0.7
165.05484	0.8
177.05482	0.5
181.04977	0.3
186.05486	0.4
191.03311	0.6
192.03806	0.4
201.00845	0.3
207.10080	0.3
217.15884	0.7
225.11269	0.7
235.16849	0.4
252.80591	0.3
275.04547	0.5
303.08633	11.5
319.08118	12.3
319.11844	0.6
366.59726	0.3
483.12909	6.8
483.20474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	1.9
64.99724	1.1
69.03400	1.4
69.99494	5.6
69.99904	2.1
70.06574	1.2
70.30818	1.1
74.09699	3.8
81.03381	1.7
82.99867	1.3
85.02922	2.4
85.20741	1.2
90.11501	1.2
94.93043	1.5
97.02873	1.8
98.97566	2.8
101.00862	5.9
110.65530	1.1
113.00952	1.3
116.98611	1.2
118.08662	1.5
119.01919	25.9
124.82100	1.3
127.02382	1.6
127.03881	2.6
131.01904	11.4
133.03436	3.4
137.02940	4.6
140.06808	11.0
141.07137	2.1
142.03491	1.4
143.01901	15.3
145.02628	1.0
145.03477	12.1
146.99654	2.4
147.01373	1.7
147.04369	3.7
149.02911	3.1
151.04517	2.5
155.01886	18.5
156.04214	12.3
157.03482	8.6
161.02968	29.4
163.04474	4.0
167.01947	6.5
169.03430	2.7
171.05080	2.4
173.02966	41.5
174.02997	1.7
175.04527	6.3
176.07661	2.6
177.00766	2.0
177.02365	4.2
177.07730	2.3
179.01857	2.2
183.01395	1.7
183.05069	1.5
184.04483	3.3
185.02954	49.8
187.04478	7.4
189.00600	1.5
189.06093	1.5
191.03960	4.1
192.05444	1.3
195.03485	1.6
196.04509	2.2
197.02962	16.4
200.07692	8.5
201.00719	2.9
201.02441	32.2
201.04022	1.1
201.06052	1.5
201.07829	19.1
203.03999	17.6
208.04588	2.6
209.02969	2.8
213.02432	9.4
213.07924	1.4
215.03972	13.1
218.08679	4.0
219.03510	98.9
219.08984	7.7
220.03694	2.7
220.12891	1.3
221.05017	3.9
225.02429	1.5
227.04027	9.6
231.03484	13.1
231.09074	1.8
233.05087	1.9
237.02454	2.1
237.04568	3.2
241.10324	1.5
242.05124	7.4
243.03494	3.2
245.05066	100.0
246.05246	1.4
249.04596	8.9
255.03430	5.1
257.05029	5.1
260.09631	1.9
261.04626	12.2
261.09958	4.1
263.06192	12.2
273.04523	2.3
275.06107	14.1
279.05560	5.2
281.28152	1.4
285.04526	1.8
286.07626	2.8
293.07126	4.1
296.97714	6.2
303.05640	25.9
305.07120	12.2
321.06693	44.9
321.10202	1.7
335.08154	4.9
339.07700	2.3
344.08328	1.9
347.50735	1.2
363.07449	1.9
365.09402	11.9
417.72098	1.2
423.08258	1.7
483.11673	42.4
484.12735	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
61.02936	0.3
63.02385	0.4
65.03955	0.5
67.05499	0.7
69.03447	0.8
70.06606	0.6
71.05012	0.7
78.04720	0.6
79.05507	0.4
81.03426	1.1
81.07063	0.4
83.04975	0.9
85.02911	1.4
86.09711	0.6
89.03919	8.1
90.83651	0.4
91.05471	1.6
93.07029	0.8
95.04983	0.8
95.08608	0.7
96.58389	0.3
97.02906	0.9
103.05429	0.4
105.07023	0.5
107.08602	0.7
109.02844	0.6
109.10114	0.4
110.20135	0.4
111.04440	0.7
111.97903	0.3
116.54738	0.4
117.03381	21.4
119.04932	1.2
119.08589	0.6
120.08123	0.3
121.02833	0.4
121.06526	0.3
127.03921	1.5
131.05016	0.4
133.10101	0.5
134.03616	1.9
135.04433	1.7
135.11714	0.9
136.07666	0.3
145.02850	48.1
146.03270	0.6
147.04410	4.9
149.05977	6.9
153.12700	0.5
158.06024	0.5
161.05940	0.4
163.03920	1.0
171.13774	0.4
177.05472	100.0
178.05865	1.1
186.05537	2.1
191.08640	0.4
195.06548	0.4
198.75682	0.3
207.08006	0.5
219.07999	0.7
235.07449	1.8
235.17014	0.5
237.09102	0.9
249.18524	0.4
263.06982	3.0
267.19702	0.4
281.08093	0.9
291.06430	1.9
303.19492	0.4
309.07614	1.0
317.08661	0.4
337.07034	0.7
387.82538	0.4
468.78189	0.4
483.14130	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
56.05027	1.2
57.03439	0.5
57.06864	0.3
57.07077	3.1
58.06572	1.5
60.08161	16.7
67.05495	0.6
69.07066	0.5
69.95344	1.7
71.07373	5.0
71.08621	2.0
75.11736	0.3
81.07066	0.4
83.08598	0.4
85.10181	1.3
86.09702	47.4
95.08603	1.6
98.98458	3.2
104.10741	100.0
105.11056	0.6
109.02961	0.3
109.10098	0.7
124.40878	0.3
124.99998	25.9
143.01068	0.8
145.10184	0.3
146.78876	0.3
159.11642	0.4
163.01563	0.6
181.02644	0.3
184.07333	99.9
185.07675	1.2
258.11029	1.2
299.25763	2.4
405.24222	0.3
464.31354	9.6
465.31796	0.4
482.32428	37.9
483.32831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3242
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
53.13155	0.6
55.05494	2.6
57.03424	2.6
57.03673	0.6
57.07077	19.6
59.82816	0.6
62.06091	22.6
62.06408	1.3
67.05496	2.9
69.07053	2.6
69.56878	3.2
69.57312	2.0
71.08632	11.3
72.04530	1.0
81.07058	4.2
83.08611	2.0
85.09787	0.6
85.10193	6.4
89.06052	1.1
95.08604	6.8
97.10152	3.3
98.98463	4.6
102.66360	0.6
109.10142	3.0
123.11725	1.1
124.01585	1.2
136.82654	0.6
142.02608	1.0
155.01031	5.3
164.23997	0.6
173.02165	0.7
198.05219	1.6
216.06308	3.4
221.87025	0.7
247.56085	0.6
310.31006	13.7
341.30502	100.0
342.30850	2.1
421.27142	7.1
464.31479	4.8
482.32346	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.6
57.07076	2.9
59.05005	5.1
67.05501	13.8
69.07074	7.4
69.47963	17.2
71.04987	6.4
79.05495	8.6
79.64146	1.9
81.07060	16.7
83.04985	6.3
83.08614	4.8
85.06528	3.5
91.05480	12.5
93.07060	14.9
95.04978	3.4
95.08596	23.9
97.02897	2.6
97.06545	5.8
105.07027	24.3
107.08597	22.9
109.06512	3.0
109.10159	21.2
111.04453	11.0
111.08073	3.5
117.07059	4.0
119.08578	46.9
121.06545	3.1
121.10147	15.0
123.08051	3.7
123.11703	7.8
124.44871	2.0
129.07053	2.6
131.08522	11.3
133.10127	26.2
135.08067	3.8
135.11671	6.6
137.09624	6.1
139.07527	2.1
141.07008	3.5
143.08545	9.4
145.10124	14.4
146.10971	2.0
147.04436	2.4
147.11681	20.0
149.09612	2.3
149.13248	2.9
151.11195	5.2
153.09117	2.3
155.08600	3.7
156.09319	2.8
157.10112	12.0
159.11700	14.7
161.09637	2.2
161.13275	8.0
163.14839	3.4
165.09160	2.1
165.12775	3.3
167.08531	2.4
169.10152	6.1
170.10916	2.4
171.11723	7.1
173.09703	4.1
173.13266	9.2
175.14879	3.8
177.16454	2.5
179.10739	3.9
181.12408	2.3
183.11702	8.8
184.07452	2.7
185.09590	2.6
185.13293	4.4
187.11211	5.3
187.14809	7.8
189.16434	5.8
190.04982	4.5
191.10684	2.7
197.13251	8.5
199.11217	2.5
199.14896	6.8
201.12700	3.9
201.16425	3.7
203.10638	3.4
205.12169	3.3
205.15970	3.8
211.11200	2.6
211.14810	6.0
213.16310	4.9
215.17937	4.8
219.13785	2.4
225.12830	2.3
227.14296	2.5
227.18011	2.6
229.12265	6.3
229.19609	2.4
239.09615	2.0
239.14317	3.1
239.17920	8.3
243.13850	5.1
245.15526	2.5
253.19569	7.5
257.15442	2.7
257.18945	9.3
259.16928	6.5
271.20676	6.2
275.20087	21.4
281.19083	6.9
289.21576	5.3
299.20041	50.8
317.21115	100.0
335.22092	3.4
379.21115	7.9
450.26196	9.3
477.25375	2.6
482.28934	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	482.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67081	2.5
55.05500	11.1
55.56133	2.3
56.39543	2.3
57.02827	2.5
57.03433	2.6
57.07069	3.7
59.04995	16.4
66.98396	2.2
67.05506	26.3
67.82536	2.6
69.03433	3.7
69.07059	14.3
70.34602	4.5
70.34949	8.3
71.04971	5.1
79.05494	16.1
81.07058	34.4
82.93195	2.5
83.04979	3.4
83.08606	8.3
85.06522	10.2
87.25748	2.4
91.05481	25.6
91.21938	2.5
93.07043	41.6
94.07395	2.4
94.79510	2.2
95.04973	6.1
95.08601	54.4
97.06506	6.7
105.07033	43.4
107.04970	4.4
107.08598	47.0
109.06509	5.4
109.10154	42.6
111.04438	26.7
111.08090	6.8
111.38849	2.3
113.09633	3.8
113.86706	2.1
117.06989	9.4
119.08585	77.4
121.06459	6.2
121.10149	36.4
123.08065	5.2
123.11693	16.1
125.05959	5.9
125.09639	3.2
128.06250	3.5
129.06992	10.8
131.08560	18.4
133.06497	4.7
133.10136	49.6
135.08028	8.0
135.11681	14.5
137.09608	8.3
139.07523	4.0
141.07010	11.5
141.54852	2.5
142.07770	6.6
143.08568	20.1
145.10121	32.7
146.10732	2.9
147.07997	4.4
147.11678	38.2
149.09636	2.9
149.13271	5.1
151.07497	3.2
151.11136	5.6
155.08539	7.8
156.09413	4.4
157.10124	27.3
158.10788	2.8
159.07986	4.4
159.11690	35.1
161.09561	4.7
161.13246	20.9
163.14818	6.9
165.09088	5.7
165.12755	2.7
168.09303	2.8
169.10098	13.5
171.11659	20.5
173.09605	6.2
173.13271	19.4
175.11104	2.9
175.14862	11.8
177.09085	2.8
177.12743	3.3
177.16415	5.7
179.10637	5.0
181.10117	6.3
182.10905	3.1
183.11681	16.6
185.09619	3.3
185.13211	9.8
187.11171	11.0
187.14832	14.5
189.16348	10.1
191.10703	8.3
193.10107	2.6
195.11671	7.6
197.13272	25.2
199.11064	6.2
199.14796	13.3
201.12735	7.3
201.16394	10.4
203.10683	4.4
205.12244	8.2
205.15823	4.7
207.17407	6.1
211.11113	4.1
211.14812	6.9
213.12714	5.6
213.16383	13.4
215.10768	3.2
215.14220	3.9
215.17923	9.8
217.12320	4.4
219.13774	8.3
223.14806	2.8
225.12836	5.3
227.14302	4.7
229.12166	7.3
229.19505	8.8
231.13939	3.5
237.16284	3.5
239.14284	10.1
239.17947	10.0
241.15813	10.6
243.13800	6.1
245.15147	2.6
253.19415	8.0
255.17494	4.7
257.15424	4.4
257.18930	19.4
259.16931	10.3
271.16879	2.3
271.20517	10.2
272.89291	2.6
273.18454	5.3
275.20038	49.6
281.19049	10.6
289.21680	3.8
299.20047	69.0
317.21109	100.0
482.28290	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	482.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.05514	11.3
57.07056	2.9
59.05000	12.1
63.99582	1.9
67.05502	24.9
69.07059	11.8
69.40254	3.4
69.40654	17.5
79.05491	14.3
81.07057	28.4
83.04980	4.2
83.08616	7.6
85.06538	4.9
91.05465	18.1
91.72480	1.9
93.07047	25.7
95.04964	5.0
95.08609	40.4
97.02876	2.3
97.06524	4.9
103.05508	2.5
105.07027	36.1
107.04917	2.8
107.08594	34.6
109.06459	2.5
109.10156	31.1
111.04440	18.1
111.08086	6.6
113.09624	3.7
116.13619	2.1
117.07035	11.0
119.08582	60.3
121.06504	2.6
121.10156	26.2
123.08078	6.4
123.11702	10.9
125.06007	3.3
128.06203	2.4
129.06992	6.9
131.08577	15.9
133.06476	2.2
133.10130	43.0
135.08058	3.9
135.11682	12.3
137.09610	5.6
139.07596	2.7
141.06992	8.9
142.07751	5.1
143.08542	16.7
145.10135	33.6
147.08028	3.7
147.11691	28.5
149.09625	3.9
149.13216	4.3
151.07526	2.7
151.11168	6.0
153.09116	2.6
155.08591	4.6
155.65897	2.2
156.09367	4.3
156.11264	2.2
157.10120	20.8
159.11684	34.3
161.09593	3.4
161.13249	16.1
162.54066	1.8
163.11128	2.4
163.14781	4.1
165.09108	3.5
167.10757	2.4
169.10081	10.7
170.10904	3.2
171.07977	2.3
171.11659	16.0
172.12439	2.6
173.09665	4.5
173.13266	18.4
175.11223	3.7
175.14847	6.9
177.16435	4.2
179.10648	5.6
181.10075	3.7
181.12276	2.2
183.11676	12.9
185.09651	2.1
185.13293	10.9
187.11232	11.3
187.14806	12.3
189.12682	2.8
189.16388	7.0
191.10747	4.1
195.11678	3.5
197.13297	19.4
199.11163	6.3
199.14818	11.6
201.12788	6.2
201.16348	6.4
203.10664	5.7
205.12244	8.1
207.17418	4.5
211.11185	3.2
211.14821	6.4
213.12747	2.7
213.16385	12.6
215.14331	3.8
215.17938	10.1
217.12296	4.5
219.13725	3.1
219.17253	2.1
221.13297	3.9
223.14783	3.0
225.12778	5.1
225.16348	3.4
229.12282	7.7
229.15800	2.8
229.19518	5.6
231.13681	3.2
239.14325	8.6
239.17880	11.9
241.15840	7.1
243.13811	10.3
253.19521	8.5
257.15356	3.0
257.18991	14.4
259.17004	9.2
271.20523	8.8
273.18460	7.1
275.20111	38.7
281.18970	14.2
299.20062	64.2
304.13174	2.2
317.21109	100.0
355.28912	2.1
482.27499	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	482.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.7
57.07067	3.0
57.29201	1.7
59.05002	12.6
60.18924	1.7
63.23976	2.1
67.05508	19.5
69.07066	9.2
71.05027	5.0
77.39664	2.1
79.05481	14.2
81.07050	25.8
83.05003	3.2
83.08623	6.1
85.06546	3.9
86.09692	3.5
91.05478	16.3
93.07044	27.0
95.04988	3.6
95.08607	38.5
97.06546	4.9
98.20691	3.2
105.07034	25.2
107.04976	4.5
107.08588	35.5
109.06508	3.7
109.10157	30.7
111.04445	19.8
111.08086	4.6
113.09611	2.5
117.07023	5.2
119.08577	52.3
121.10137	26.1
123.08078	6.8
123.11726	12.6
125.06027	2.4
129.07004	7.6
131.08563	12.8
133.10123	37.2
135.08063	2.9
135.11667	11.4
137.09656	3.6
137.13264	2.3
139.07541	4.9
141.06978	7.4
142.07819	3.2
143.08517	13.2
145.10127	24.7
147.08028	2.7
147.11694	25.8
148.30576	2.3
149.13263	4.8
151.07549	3.7
151.11111	3.3
153.09105	3.4
155.08548	6.1
156.09323	5.2
157.10147	18.6
158.10912	2.8
159.08104	2.3
159.11678	28.1
161.01205	4.6
161.09590	3.9
161.13269	19.7
163.07523	2.5
163.14783	3.8
165.09134	5.1
169.10112	8.4
170.10857	4.1
171.11676	14.8
173.09642	6.3
173.13274	15.0
175.11209	3.6
175.14818	9.3
177.09120	3.0
177.16374	3.9
179.02351	4.2
179.10658	2.9
183.11739	13.7
184.07361	11.0
185.09715	3.1
185.13292	8.7
187.11188	8.2
187.14833	9.3
189.16383	7.1
191.10651	4.8
193.12212	3.7
195.11623	3.4
197.13274	21.2
199.11194	4.7
199.14816	11.6
201.12729	5.6
201.16389	5.8
203.10663	3.3
205.12276	8.4
205.15901	3.0
207.17439	5.1
211.11201	3.9
211.14836	6.6
213.12711	4.0
213.16379	12.9
215.10567	2.3
215.14221	3.3
215.17937	9.5
217.12125	4.2
219.13905	4.8
223.14767	2.6
225.12723	3.9
227.14398	3.4
227.17970	3.0
229.12236	10.9
229.19533	6.0
233.15215	2.2
237.16264	3.7
239.14250	7.5
239.17999	11.5
241.15862	6.9
243.13849	8.2
245.15402	5.3
253.19559	7.2
255.17416	5.2
257.15320	2.7
257.16373	2.3
257.19061	19.5
259.16904	11.3
260.09250	4.7
266.37732	2.0
271.20474	10.3
273.18494	7.1
275.20068	49.7
281.18900	11.9
299.20062	58.3
317.21112	100.0
404.81485	3.1
413.90826	2.1
469.66095	2.2
477.21667	2.6
482.28000	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	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43377	1.0
51.46620	1.1
53.03954	3.4
55.05512	4.9
57.03445	6.3
57.07079	1.7
61.02930	1.8
67.05513	8.0
69.03085	1.3
69.03434	18.4
69.07088	7.1
69.79291	6.5
71.04993	1.4
73.02934	2.5
79.05492	9.5
81.03412	3.1
81.07064	30.0
83.04996	1.5
85.02907	19.2
87.04469	12.9
91.05494	15.9
93.07055	77.3
95.04969	4.6
95.08607	16.8
97.02900	18.6
97.06530	4.3
105.07041	8.3
107.08604	47.2
109.06535	2.5
109.10176	10.4
115.03944	20.4
117.07059	1.4
119.08611	4.2
121.10159	2.8
125.83733	1.2
127.03889	3.0
133.04974	20.3
133.10121	1.6
135.11705	100.0
136.12024	2.1
137.13277	20.8
142.98747	1.4
145.04988	2.6
145.10193	1.3
147.11705	2.3
153.12778	9.0
163.06013	1.5
165.12805	3.1
171.13760	6.5
173.08151	1.4
173.09703	1.2
177.12698	2.2
207.85402	1.5
259.08124	1.9
267.15857	3.4
315.18076	1.5
481.76019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01855	0.8
55.05515	4.6
57.03444	4.7
59.05000	0.5
60.04514	0.7
61.02914	2.0
65.72287	0.5
67.05508	7.1
69.03424	3.4
69.07064	2.8
70.16421	0.8
70.16815	1.1
71.04990	1.9
73.02914	1.0
79.05058	0.7
79.05495	9.0
81.03418	25.3
81.07055	9.0
83.04986	5.3
83.08623	9.2
85.02908	11.8
85.06535	1.3
86.09701	1.6
87.04453	1.3
87.05602	0.5
91.03975	1.1
91.04969	0.9
91.05486	10.5
93.07055	7.2
93.52972	0.5
95.04964	10.0
95.08615	3.9
97.02886	3.8
97.06527	1.8
97.10170	1.5
99.04508	0.5
105.07031	7.4
107.04964	2.3
107.08596	3.6
109.02878	0.6
109.06487	1.4
109.10129	1.7
111.04449	0.7
111.08078	5.6
113.06027	0.5
115.03933	1.3
119.08595	6.3
120.08109	4.9
121.06505	0.6
121.08484	2.7
121.10142	4.4
123.08037	0.9
123.11691	1.4
125.09694	0.5
127.03974	0.8
129.06966	3.4
131.08549	4.0
133.04938	1.1
133.06483	1.0
133.10143	4.0
135.11688	2.8
136.07632	0.5
137.09613	0.6
138.09131	0.8
142.07764	0.9
145.10118	1.2
147.07996	0.9
147.11703	6.2
149.09612	2.5
153.12747	1.8
157.10127	6.1
164.07100	1.3
164.30957	0.4
164.91202	0.6
165.12790	1.3
166.08624	1.6
171.13791	1.0
173.12868	1.0
174.13011	0.5
175.11185	6.8
178.04958	0.5
193.12251	24.5
201.12332	0.6
202.12518	0.6
211.13297	22.9
229.14169	0.7
236.04497	0.4
255.11324	0.9
257.12854	0.7
267.15936	7.2
272.11536	0.5
281.11407	0.8
282.11609	1.3
285.16971	100.0
286.17276	1.6
303.13336	3.0
313.12103	0.6
331.06229	0.5
429.21115	0.7
436.16003	0.6
447.22171	2.0
483.19537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.05515	6.1
57.03434	15.3
57.07058	3.0
59.04989	4.3
61.02914	3.8
67.05489	5.1
68.10788	2.2
68.49377	2.0
69.03427	54.3
69.07063	13.0
71.04988	14.4
71.11460	5.2
73.02913	4.3
75.04466	3.7
79.05514	10.6
80.13743	2.1
81.03409	6.6
81.07052	22.0
83.04987	3.9
83.08604	4.2
85.02901	47.0
85.06509	2.2
86.03236	2.8
86.09705	5.5
87.04465	33.8
91.05473	9.8
93.07031	42.7
95.04972	2.8
95.08614	8.0
97.02895	46.4
97.06525	10.6
98.88403	2.0
101.31616	2.1
103.40104	2.1
104.10711	4.7
105.07034	8.7
107.08593	44.5
109.02884	2.8
109.06506	5.1
109.10152	8.5
115.03925	62.2
119.08557	6.7
120.08092	2.7
121.06482	3.7
121.10132	4.8
125.13211	6.7
127.03929	12.4
131.08556	2.4
133.04956	65.5
133.10155	4.5
135.11685	61.8
137.02316	4.3
137.13203	5.1
143.08556	2.4
145.04994	7.9
150.50717	2.2
153.12737	100.0
161.50499	2.4
165.12814	4.4
171.13837	2.5
177.12688	5.4
184.07355	7.9
195.13759	3.6
201.41960	2.1
231.13870	3.0
241.06996	2.8
259.08130	4.8
267.15851	4.2
285.16995	6.3
295.10281	5.9
297.17056	4.4
302.03595	2.2
303.04807	3.4
315.17999	8.0
319.04501	10.9
320.04810	35.6
321.05548	2.5
333.02966	2.1
333.19214	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
57.03442	3.2
59.04997	1.7
59.34261	0.7
61.02922	1.0
67.05496	0.9
69.03429	5.9
69.07049	0.8
70.06554	0.8
70.86154	1.4
71.04992	11.3
73.02919	7.2
73.06553	3.1
79.05497	3.3
81.03417	1.5
81.07060	16.1
81.07533	1.6
85.02908	10.4
85.06507	0.7
91.05499	1.2
93.07038	9.0
95.08613	2.7
97.02886	7.5
97.06539	0.8
100.89400	0.6
105.07011	0.8
107.08594	6.7
109.02853	1.3
109.10139	1.7
114.05459	0.9
115.03919	5.2
116.97932	0.8
127.03912	3.2
133.04955	2.2
135.11693	15.4
137.13257	1.5
145.04922	1.9
153.01834	0.8
153.12746	100.0
154.13057	1.9
163.06093	0.7
171.13811	0.7
241.07062	1.2
259.08148	1.8
295.10406	1.0
302.32993	0.9
317.06686	0.9
318.06964	2.8
319.07071	3.7
320.07443	5.1
372.84964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01876	2.4
55.05509	8.5
57.03437	8.4
59.04990	1.4
61.02923	2.9
64.51643	1.0
65.03939	1.1
67.05507	14.6
69.03423	6.5
69.07070	5.3
70.06593	2.9
71.01355	3.2
71.05000	8.2
71.12612	1.4
71.12930	1.0
73.02917	1.7
75.04474	1.5
79.05498	12.5
81.03424	44.7
81.07057	24.0
83.04982	12.7
83.08620	15.8
85.02521	0.9
85.02913	23.2
85.06544	3.7
86.09731	0.9
87.04477	4.3
91.03972	1.7
91.05481	19.3
91.06010	1.5
93.07039	14.9
95.04977	20.9
95.08604	9.0
96.66937	0.9
97.02898	9.6
97.06534	5.5
97.10171	2.4
98.21445	0.9
99.00810	1.5
99.04462	2.6
103.03947	2.6
103.05460	0.9
105.07039	17.5
107.04959	4.0
107.08602	9.9
109.06504	4.4
109.10168	3.7
111.04454	3.2
111.08084	9.0
113.02402	1.9
113.06027	1.2
115.03960	2.7
115.05482	1.3
117.07027	3.3
117.93524	0.8
117.96609	0.9
119.08601	12.7
120.08095	0.8
121.06517	3.2
121.10150	5.4
123.08086	1.8
123.11726	1.9
125.09656	1.4
127.03918	2.3
129.07007	6.1
131.03394	1.4
131.08583	15.9
132.02359	0.9
133.04968	2.9
133.06516	3.0
133.10136	11.6
135.08095	1.9
135.11699	4.9
137.09660	1.7
137.13287	3.1
141.06963	1.1
141.12808	1.1
142.07784	1.6
143.08540	1.0
145.04997	1.3
145.10117	6.0
147.04478	1.9
147.08026	2.5
147.11702	12.1
149.09599	3.9
151.11220	3.6
153.12756	23.9
153.13943	1.8
155.08563	2.1
157.10121	10.1
159.08073	1.8
159.11711	5.6
165.12773	2.5
167.06960	1.1
168.42215	0.9
171.11850	1.0
171.13795	1.8
173.13274	8.3
175.11189	12.5
177.12854	1.3
183.11725	1.8
187.07520	1.1
187.11272	2.3
191.14340	6.3
193.12257	45.2
201.12753	13.0
211.13297	38.0
213.81174	0.9
215.06979	1.2
215.10660	1.2
219.13823	7.2
249.08797	1.7
249.76881	0.9
263.07169	1.1
267.15939	19.1
268.16382	1.0
275.16486	1.1
280.26212	0.9
285.16977	100.0
286.17395	2.3
293.17554	3.3
359.13425	4.2
465.21307	3.7
483.22141	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	481.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
63.11313	0.6
67.05539	0.7
68.48401	0.6
71.58978	1.0
95.08596	1.4
106.99469	0.7
109.10182	0.8
481.32874	100.0
482.33124	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	482.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83355	0.2
53.03949	2.4
55.01865	0.6
55.05515	26.4
57.03436	0.4
60.04516	0.2
67.05499	0.6
69.03428	0.5
70.04192	0.3
70.06606	1.0
70.27955	1.0
71.05004	0.9
72.08157	0.4
73.63943	0.2
75.13966	0.2
79.05490	0.4
79.86996	0.3
81.03419	0.4
81.07082	0.5
85.02908	1.4
85.06549	100.0
86.06888	0.7
86.09716	0.5
91.05489	0.7
93.07056	0.4
95.08661	0.3
97.02908	0.9
105.07054	0.4
105.44681	0.2
107.08603	0.5
109.10134	0.3
115.03952	0.3
116.07128	0.5
119.04954	0.6
120.08149	0.4
127.03949	0.3
133.04958	0.4
133.10150	0.6
135.11729	0.6
147.04416	1.4
148.04799	0.2
152.24345	0.2
153.12730	0.5
163.03906	0.6
177.05553	0.5
184.07407	0.6
193.12375	0.3
206.02779	0.7
222.02432	0.3
224.11725	0.3
248.03850	1.0
249.02246	0.3
276.03302	1.4
285.17044	0.4
290.05084	0.3
308.02335	0.5
308.05887	10.0
309.06671	0.3
380.65250	0.3
383.32938	0.3
436.10626	5.1
482.11200	94.4
483.11612	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	481.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.3
57.07070	2.7
59.22840	2.0
63.82951	2.0
67.05505	25.2
69.03428	4.0
69.07066	6.0
79.05492	11.6
81.03416	5.3
81.07064	18.6
83.04969	6.4
83.08618	4.6
85.02898	4.6
85.06567	2.6
91.05487	15.5
93.07060	13.9
95.04966	6.4
95.08607	25.1
97.02887	4.4
97.06538	7.1
99.08096	52.9
101.86090	2.0
105.07038	21.0
107.08603	26.6
109.06509	3.3
109.10165	100.0
111.04441	8.1
111.08105	2.3
117.07037	4.6
119.08574	16.6
121.06557	3.1
121.10163	9.5
123.11723	4.1
131.08582	7.2
133.06541	2.9
133.10144	10.1
135.11699	6.3
137.05968	5.9
137.13326	5.0
139.07524	2.8
143.08600	4.5
145.10144	10.1
147.11705	14.3
149.09654	4.4
149.13222	2.6
151.07558	2.7
157.10147	6.6
159.11703	10.8
161.13223	3.0
165.12793	3.7
167.07013	2.3
171.11662	2.6
173.13298	3.3
175.11169	4.2
185.13319	3.6
193.12259	12.2
205.12213	3.7
209.11717	12.7
211.13284	17.7
219.13882	3.6
233.15327	5.9
273.21939	3.3
283.20541	3.2
301.21585	5.4
319.22784	18.6
360.86792	2.5
467.90146	2.9
481.27707	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	481.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33657	2.4
53.03939	6.2
55.05508	11.5
55.33517	2.4
67.05212	3.1
67.05508	28.7
69.03425	11.0
69.07069	15.9
71.04984	4.8
71.60523	5.2
79.05506	15.0
81.03419	7.8
81.07065	27.1
83.04965	4.8
83.08631	5.2
85.02906	11.7
87.00810	3.2
91.05479	17.7
93.07037	29.7
95.04955	5.9
95.08600	34.0
97.02902	7.0
97.06526	6.8
99.08096	76.3
105.07021	22.7
107.08596	45.0
109.02849	7.4
109.06499	5.1
109.10161	100.0
111.04402	7.1
111.08115	3.4
117.07050	3.1
119.07700	3.1
119.08582	64.5
121.06508	5.0
121.10139	17.3
123.10245	2.8
123.11709	18.9
124.07597	5.3
125.05964	5.3
125.09668	4.6
127.03904	8.9
129.07027	4.0
131.08562	8.5
133.06488	3.2
133.10146	35.7
135.11694	16.8
136.01578	3.2
137.05959	16.1
137.13235	3.2
138.93127	2.5
139.07553	7.9
143.08524	6.0
145.10121	16.5
147.11655	15.8
149.13260	3.8
151.07535	4.1
151.11209	5.1
157.10110	21.0
159.11685	15.4
161.09599	3.1
161.13266	3.3
165.12689	5.6
169.10117	8.0
171.11720	10.3
173.09602	6.0
173.13280	6.9
175.11205	4.3
185.09583	4.8
185.13211	6.3
187.11107	5.3
187.14793	6.1
193.12242	11.2
195.10115	3.9
197.13306	3.9
209.11740	10.2
211.13184	14.3
215.14325	13.7
217.15825	3.5
219.13821	5.5
233.15341	8.6
255.21057	4.4
289.05414	4.7
301.21756	9.3
319.22675	30.1
373.15488	5.2
437.21317	3.6
470.80872	3.0
481.20645	24.4
481.27261	4.8
482.20856	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	481.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.7
55.05503	2.6
65.03944	0.6
67.01878	0.7
67.05502	4.8
68.99786	1.4
69.03416	1.7
69.07056	2.7
69.38708	0.7
69.51289	1.6
69.51691	5.0
71.04987	0.7
73.20932	0.7
76.53976	0.8
79.05489	6.1
81.03413	1.7
81.07051	5.3
83.08605	1.6
85.02898	3.7
85.06519	1.7
91.05479	7.3
93.03400	0.7
93.07043	7.3
95.04967	2.3
95.08610	6.5
96.97646	0.6
97.02895	2.3
97.06570	1.2
99.04490	0.9
99.08089	11.9
100.03892	0.7
102.04683	3.6
103.05473	2.1
105.03379	0.8
105.07030	7.2
107.04961	2.9
107.08594	7.7
109.02869	1.5
109.06499	1.3
109.10146	17.2
111.04449	0.7
115.05500	0.8
117.03381	0.8
117.07056	1.1
119.04926	4.0
119.08566	9.3
121.02885	0.7
121.06500	2.4
121.10125	4.2
122.03628	1.7
123.08133	1.0
123.11702	3.4
124.05209	2.6
125.06022	1.1
127.03867	1.3
129.06990	1.3
130.04147	5.6
131.04918	5.6
131.08612	2.0
132.05768	1.4
133.02858	9.0
133.06500	1.7
133.10124	4.7
135.04413	3.2
135.08083	1.0
135.11725	2.8
136.05238	3.8
136.06122	0.8
137.02319	1.0
137.05981	13.9
137.13280	1.2
139.07553	1.6
142.07800	1.0
143.08563	1.4
145.10156	2.3
146.03676	1.4
147.04410	8.9
147.11670	2.4
148.05165	5.2
149.05920	4.0
149.13222	1.1
150.06761	3.9
151.07574	1.2
153.01808	10.9
157.08876	0.7
157.10060	3.7
159.11658	3.5
161.05984	1.9
162.06754	8.1
163.03905	2.3
163.14871	1.0
165.01854	1.3
165.05556	1.2
165.06906	0.7
169.10120	1.0
171.11678	1.6
171.14056	0.7
173.09590	1.0
173.13313	1.7
177.05489	1.8
179.03409	1.8
182.13298	0.9
185.13258	1.5
187.03835	0.9
187.11171	0.8
187.14633	0.8
189.05415	1.2
191.03412	6.9
193.12271	1.9
197.13208	0.8
201.05466	2.5
203.03470	1.2
205.12283	1.0
209.11726	2.4
211.13330	1.9
215.14366	2.6
217.04961	8.9
219.13861	0.8
229.04955	5.6
230.05751	0.7
233.15259	1.1
245.04437	10.4
245.15514	1.0
249.05455	1.1
251.07153	1.2
257.04440	3.8
257.18967	0.7
257.93701	0.6
258.05237	1.0
269.04446	1.3
273.03922	16.4
274.04581	2.0
277.04987	0.9
283.20364	1.0
283.26340	0.9
285.03934	6.8
286.04697	2.1
287.05475	3.6
299.05344	1.1
301.03409	12.2
301.21600	1.8
302.04178	5.9
303.04919	4.7
311.05502	2.5
313.03360	6.0
319.22656	5.4
327.05072	2.0
339.05142	4.0
357.06091	1.5
375.08557	1.4
383.94107	0.7
419.07813	1.0
431.07547	6.4
451.10184	4.6
463.10229	16.8
464.10754	1.4
481.11301	100.0
482.11658	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	481.2793
Annotation	Neoandrographolide
Peak:m/z	Relative Intensity
50.85034	2.4
55.01836	2.6
55.05512	17.2
57.07065	2.5
67.05500	18.1
69.03419	5.0
69.07051	12.3
69.64795	2.8
71.59812	5.7
79.05486	12.6
79.12859	2.2
81.03421	3.9
81.07058	22.5
83.04988	3.2
83.08619	5.4
85.02888	5.0
91.05478	17.0
93.07034	34.1
95.04953	5.0
95.08602	84.5
97.02919	3.3
97.10131	3.8
105.07036	26.6
107.04936	3.4
107.08595	37.5
109.06506	3.0
109.10143	27.6
111.04431	8.5
117.07006	5.6
119.08571	35.2
121.10129	38.7
123.08002	3.5
123.11696	9.8
125.05959	6.2
131.08543	10.0
133.10135	30.1
135.11671	16.7
137.05983	8.3
137.13326	2.7
142.07843	3.2
143.08572	7.9
145.10091	17.2
147.04410	3.5
147.11685	14.6
149.13248	9.5
151.07486	2.9
157.10095	9.7
159.08066	2.9
159.11646	16.5
161.09564	5.5
161.13269	9.4
163.14752	3.0
165.09122	2.6
169.10165	3.4
171.11702	14.3
173.09621	10.0
173.13260	11.1
175.11310	3.2
175.14824	5.1
177.05396	3.0
177.09036	3.4
179.10655	4.2
183.11732	3.8
185.09492	3.1
185.13251	11.3
187.11205	12.0
187.14812	7.8
189.16383	6.5
191.03394	24.8
191.10620	5.9
199.11192	5.9
199.14862	5.5
201.16460	6.7
203.10672	4.4
203.17935	11.0
205.12262	13.7
209.13313	3.1
213.12729	9.8
213.16319	3.4
213.47955	2.5
217.12239	7.1
219.13818	5.0
227.14371	3.8
231.13799	21.5
233.15483	3.1
239.17847	4.7
241.19482	5.4
245.15443	6.8
255.21078	6.4
269.18927	4.7
273.03931	21.4
283.20560	11.7
287.20035	28.2
301.21606	100.0
302.21686	2.8
319.22766	4.5
481.20401	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	481.28
Annotation	Pharboside B
Peak:m/z	Relative Intensity
53.03936	4.2
55.01859	3.0
55.05511	17.3
56.96546	3.0
57.03422	5.8
57.07075	3.6
59.04995	4.0
61.02934	9.5
61.49094	1.5
63.12676	1.5
64.44217	1.5
67.05508	13.7
69.03433	29.4
69.06790	1.4
69.07079	16.3
69.34494	1.5
71.04977	6.0
71.59024	2.3
73.02912	4.1
79.05490	11.1
81.03425	15.9
81.07062	25.7
83.01322	2.5
83.04994	4.9
83.08641	9.5
85.02906	78.3
85.06546	3.2
87.00815	2.5
87.04457	6.6
91.03957	3.6
91.05485	14.4
93.07046	29.4
95.04955	8.1
95.08609	32.1
97.02907	26.4
97.06541	3.6
97.10178	11.4
98.97571	1.9
99.04436	8.0
104.54845	1.7
105.01843	3.2
105.05550	2.1
105.07029	23.2
107.04955	3.5
107.08598	36.8
109.02883	10.9
109.06530	4.3
109.10157	26.7
111.04461	4.6
111.08082	5.1
111.11683	2.3
117.07009	5.3
119.04880	2.7
119.08578	28.3
121.06519	6.7
121.10146	26.6
123.08069	4.3
123.11683	12.5
125.09620	3.8
127.03908	18.0
127.11159	3.0
129.05498	2.3
129.12758	2.5
130.04173	2.8
131.04895	3.6
131.08591	12.5
133.10136	25.2
135.08049	7.4
135.11697	13.6
137.02344	3.2
137.05994	22.1
137.09613	2.9
137.13266	3.0
139.07536	7.0
142.07759	2.5
143.08569	6.3
144.09319	2.0
145.02849	1.8
145.04964	11.0
145.10109	16.8
146.99640	1.8
147.04396	4.7
147.08044	2.1
147.11691	13.3
149.05986	3.6
149.09607	2.7
149.13260	16.5
151.07567	2.6
153.01869	3.8
156.09346	3.9
157.08592	9.4
157.10124	12.3
159.08041	3.2
159.11700	20.4
161.06006	3.3
161.09636	3.6
161.13263	11.5
163.03929	5.0
163.07542	3.5
163.11169	1.9
163.14796	16.7
165.09036	1.9
167.07120	3.3
169.10123	1.7
170.10786	2.0
171.10239	3.9
171.11697	9.0
173.09558	2.7
173.13245	9.1
175.11227	2.2
175.14813	3.9
177.12698	2.6
177.16405	2.7
179.10655	2.5
185.13292	8.3
187.11195	6.2
187.14813	3.7
189.12700	1.8
189.16399	6.0
191.03415	23.1
191.10634	2.2
191.14488	2.9
191.17940	5.8
197.13290	3.4
199.11115	2.3
199.14816	4.7
201.12758	4.0
201.16385	5.6
203.14262	2.5
203.17931	15.8
205.12192	11.2
209.11696	2.5
213.12785	3.2
213.16360	2.7
215.14282	2.0
217.04919	2.7
217.12370	2.8
217.16032	2.3
219.13803	6.6
223.13261	11.0
227.05333	3.6
231.13770	8.0
233.07948	5.4
233.15392	2.3
233.60788	1.8
237.14873	7.7
241.19513	4.7
245.15482	2.9
249.14859	11.3
255.21182	6.1
265.25308	4.4
271.04251	4.5
273.03928	23.5
273.22052	6.5
283.20554	7.2
283.26309	7.1
301.03458	2.8
301.18250	3.3
301.21625	32.3
302.04343	2.4
303.05045	2.4
319.22672	100.0
320.22925	3.3
395.13068	2.5
431.07828	2.5
437.14276	16.1
481.12860	63.9
481.20380	17.9
481.27960	13.3
482.12909	7.7
482.19946	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.9
56.96553	2.5
67.05512	23.5
69.03416	2.0
69.07071	8.2
69.43061	16.6
71.04972	2.4
79.05496	11.7
81.03441	2.2
81.07052	17.9
83.04980	2.1
83.08606	3.3
85.02886	2.5
91.05479	11.8
93.07047	15.6
95.04952	3.9
95.08608	15.8
97.02895	3.1
98.97560	2.5
99.08093	43.0
105.07031	14.0
107.04900	2.3
107.08596	27.1
109.10156	100.0
111.04456	4.3
111.08057	3.1
117.07032	2.6
119.04964	1.9
119.08581	14.4
121.06467	4.2
121.10155	9.5
123.08067	2.5
125.05984	2.0
127.03963	2.3
131.08551	3.1
133.06433	2.4
133.10175	10.2
135.08041	2.6
135.11703	4.6
135.88177	1.8
137.05977	4.4
137.13246	5.6
139.07512	3.1
143.08533	5.4
145.10124	7.0
147.11710	10.9
149.09602	2.6
149.13252	4.3
157.10091	4.4
159.11720	6.6
161.13219	2.1
165.09134	3.0
165.12711	3.1
171.11694	2.3
173.13263	5.1
187.11215	2.0
187.14810	1.9
193.12241	10.8
205.12160	2.5
209.09962	1.8
209.11659	9.3
211.13309	15.1
219.13785	3.2
233.15347	4.7
234.34421	1.8
255.21063	2.3
259.20523	2.6
301.21591	4.2
319.22653	23.5
366.86197	2.0
381.19455	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	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.5
57.03434	0.7
57.07055	0.5
60.04526	6.4
67.05508	1.6
69.03431	1.7
69.07066	1.4
71.04993	1.1
71.59291	0.6
79.05497	1.6
81.03442	1.0
81.07063	2.0
83.04984	0.6
83.08624	0.5
85.02923	2.4
86.09714	21.9
87.05598	5.2
91.05486	1.6
93.07056	4.8
95.04973	0.9
95.08606	1.5
97.02899	1.1
103.05455	3.1
105.07036	1.4
106.43333	0.4
107.08576	2.1
109.06506	0.5
109.10184	1.1
111.04497	0.5
111.08084	0.5
115.03922	0.7
119.08593	1.1
120.08115	100.0
121.08442	0.6
121.10162	0.9
123.11737	0.7
125.09608	0.6
127.03909	1.7
128.10735	3.4
131.08575	1.0
133.10149	1.0
134.04510	1.1
135.11690	2.9
137.06007	0.6
145.04935	0.5
145.10132	0.8
147.04326	0.6
147.11664	0.7
149.13206	0.4
151.11194	1.2
152.11517	0.9
153.12755	0.5
157.10098	0.9
159.11668	0.8
166.08632	0.6
171.11632	0.6
171.13736	0.5
173.12874	26.8
177.12782	0.5
187.14937	0.6
193.12352	0.4
196.83072	0.4
201.12347	12.8
213.09328	0.4
215.14233	0.6
261.15900	0.6
269.17538	0.9
273.11713	1.7
273.61905	0.6
281.11340	33.8
285.16928	2.1
287.05545	1.1
287.18607	0.9
303.17169	1.9
319.22751	1.0
348.19305	2.9
463.21808	0.6
481.16959	1.1
481.22931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73120	0.4
52.60620	0.4
52.67252	0.5
55.05500	0.8
62.32795	0.5
69.03421	0.8
69.42400	2.4
69.42819	1.4
70.06599	1.2
72.08153	1.2
80.12700	0.4
81.03403	0.6
81.07053	0.6
84.08154	0.6
85.02909	1.1
85.06538	2.3
86.09702	1.7
90.68856	0.5
91.05452	0.7
93.07035	0.6
97.02901	0.7
98.21504	0.9
103.53531	0.5
104.67450	0.5
105.07040	1.2
109.02841	0.4
111.04453	0.5
120.08087	1.0
121.02885	1.5
127.00055	0.5
127.03925	21.7
128.04254	0.4
133.06494	0.9
133.10262	0.4
136.07501	0.5
137.05975	1.3
147.04395	0.6
153.01839	9.2
159.03162	0.4
161.06018	2.0
165.01845	1.8
177.05524	1.0
181.04973	1.2
184.04984	0.7
185.04254	0.6
193.01318	4.3
193.08588	1.0
215.06828	1.5
217.04782	1.7
227.05315	2.3
232.07062	14.5
232.69835	0.5
233.07864	6.6
247.04454	0.5
247.13045	0.5
271.04300	2.9
277.04944	1.7
299.05664	0.6
325.07047	0.8
377.11322	0.7
395.13266	3.6
435.10709	1.0
437.14215	25.4
438.14627	0.7
451.11520	0.4
481.13196	100.0
482.13345	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	481.1686
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
55.01881	0.5
55.05510	0.6
56.31018	0.4
56.96574	0.4
57.03433	0.4
67.05502	1.2
69.03433	1.6
69.07071	0.8
70.05917	1.9
71.04999	0.7
77.09855	0.3
79.05493	1.0
79.06774	0.4
81.03428	1.2
81.07059	2.1
83.04961	0.9
84.45588	0.4
85.02912	2.4
87.00786	0.4
91.05482	0.9
93.07059	1.6
94.63429	0.4
95.04968	1.1
95.08607	1.7
97.02906	1.6
97.06541	1.0
98.20850	0.8
99.04449	0.5
105.07035	0.9
107.08611	1.1
109.02879	0.6
109.06516	0.5
109.10178	1.2
113.06002	0.5
114.06319	0.4
115.03973	0.4
116.21600	0.3
119.08579	0.9
120.08147	0.4
121.10181	0.6
123.11721	1.0
127.03933	1.8
128.50531	0.3
130.07916	0.4
131.04927	0.5
131.08578	1.0
133.10181	0.6
135.08046	0.6
135.11736	0.4
137.05965	2.1
137.09599	0.8
140.10715	0.6
143.08618	0.5
145.10127	1.4
147.04347	0.4
155.03217	0.6
157.10110	0.8
159.08128	0.8
159.11673	0.4
161.09697	0.5
167.07085	0.7
169.04703	0.5
171.04216	0.4
171.11835	0.5
173.04164	0.9
177.05482	0.5
177.16394	0.5
185.09677	0.5
186.06514	0.9
187.14790	0.6
191.03410	0.7
215.05309	1.3
215.14317	1.2
217.64276	0.4
229.06979	0.8
233.15419	1.4
249.05875	0.5
255.09660	0.6
259.09753	0.4
265.08588	0.6
291.08292	0.5
301.21820	0.5
317.08484	2.2
349.12625	1.7
368.18216	0.4
426.32147	0.5
481.16840	100.0
482.17065	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1128
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
55.01871	0.2
56.91229	0.2
65.03935	0.5
67.01845	0.3
68.99786	1.5
69.99010	0.1
70.86275	0.4
77.03924	0.2
78.04714	0.2
79.05477	0.6
81.07036	0.4
91.05476	3.8
92.02656	0.3
93.03426	0.5
94.04172	0.2
95.01329	0.7
95.04968	0.6
95.08598	0.3
97.02866	0.2
102.04680	5.9
103.05467	2.2
105.03393	0.5
105.07030	1.3
107.04964	1.0
107.08571	0.2
108.35398	0.2
109.02866	0.6
109.06518	0.5
110.03654	0.5
111.00800	0.6
111.04406	0.3
115.05459	0.7
117.07024	0.5
118.04189	0.4
119.04933	4.0
120.05701	0.3
121.02857	0.9
121.06496	0.8
122.03630	0.8
123.04408	0.6
123.11619	0.2
124.05186	1.5
125.05994	0.4
127.03933	0.2
129.07014	0.2
130.04143	9.6
131.04919	10.8
132.05724	2.4
133.02858	3.9
133.06485	1.2
135.04408	1.2
136.05171	1.4
137.02379	1.0
137.05965	8.2
145.02838	0.3
145.06476	0.6
146.03583	0.9
147.04399	12.5
148.05188	3.3
149.05963	2.0
150.06772	1.6
151.03899	0.2
151.07515	1.0
152.08264	0.2
153.01819	14.5
155.04938	0.8
159.04414	0.4
160.05260	0.3
161.02394	0.2
161.05986	2.3
162.06755	12.8
163.03917	0.4
163.07510	0.4
165.01811	0.9
165.05533	0.2
165.06967	0.4
167.08492	0.2
171.04315	0.4
173.05998	0.7
173.13332	0.2
175.03906	0.4
176.14577	0.2
177.01787	0.2
177.05406	0.9
177.06895	0.2
179.03371	2.6
179.07112	0.2
180.07779	0.3
181.06471	0.7
183.02870	0.4
183.04425	0.6
184.05180	0.2
184.36105	0.2
185.06018	0.2
187.03836	0.9
189.05458	1.3
191.03328	0.8
193.06546	0.3
194.07172	0.2
195.08063	0.3
197.05995	0.4
199.03926	0.5
200.04617	0.2
201.05452	2.2
203.03366	1.2
205.04750	0.3
205.06526	0.4
207.08102	0.2
209.05977	0.3
210.06769	1.1
213.05510	0.7
215.03398	0.3
217.04961	10.7
219.02858	0.3
221.05951	2.1
222.06638	0.2
223.07576	0.8
225.05501	0.4
227.03421	0.4
228.04150	0.5
229.04961	6.4
230.05695	0.6
231.02901	0.7
232.03711	0.4
235.07526	0.3
237.05478	1.6
238.06189	1.8
241.05011	0.3
243.02960	0.2
243.06491	0.2
244.03566	0.2
245.04433	10.5
246.05252	0.4
249.05452	2.0
250.06253	1.0
251.07047	1.4
253.04947	0.6
255.06511	0.5
257.04422	3.4
258.05203	0.8
263.07034	0.4
265.04965	0.6
266.05798	0.3
269.04440	1.4
271.06113	0.3
273.03918	14.4
273.26334	0.2
274.04648	0.9
277.04950	1.7
279.06516	0.7
281.04489	0.4
283.05945	0.5
283.26199	0.2
284.03317	0.3
285.03940	7.1
286.04681	1.1
287.05579	0.6
291.06686	0.5
293.04340	0.2
301.03412	9.6
302.04178	3.8
303.04965	2.9
305.04553	0.3
311.05457	3.0
313.03397	3.5
319.06143	0.3
321.07574	0.2
327.05005	3.2
329.08136	0.6
332.06848	0.2
339.04950	5.8
343.04514	0.3
347.09103	0.2
357.06262	2.7
361.07300	0.2
375.08582	1.4
385.07059	1.4
386.07681	0.2
387.08478	0.3
389.06686	0.5
391.08398	0.2
402.07367	0.4
403.08249	1.8
413.06473	1.1
419.07477	0.3
431.07614	10.1
448.07745	0.4
451.10175	2.9
463.10211	6.1
481.11270	100.0
482.11536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
53.03936	0.3
55.01865	0.4
55.05494	0.5
56.96560	0.2
57.07051	0.2
65.03930	0.6
67.01854	0.6
67.05489	0.7
68.99785	2.0
69.03423	0.5
69.07069	1.0
70.86088	0.4
70.86446	0.2
71.05001	0.2
73.02906	0.2
74.19801	0.2
77.03911	0.3
79.05488	0.9
81.03421	0.6
81.07053	1.8
83.08598	0.5
84.94612	0.2
85.02905	0.9
85.06533	0.6
89.03889	0.5
91.05480	4.1
92.02628	0.2
93.03410	0.5
93.07051	0.7
94.04179	0.5
95.01302	0.5
95.04952	0.6
95.08617	1.8
97.02882	0.6
97.10170	0.4
98.39017	0.2
98.97598	0.3
102.04681	5.1
103.05486	1.9
105.03386	0.6
105.07036	1.3
107.04948	0.8
107.08566	0.6
108.36340	0.2
109.02876	0.5
109.06532	0.5
109.10153	1.6
110.03650	0.5
111.00804	0.8
111.04444	0.4
113.09606	0.4
115.05436	0.4
116.98628	0.3
117.03329	0.2
117.06983	0.3
118.04169	0.2
119.01330	0.4
119.04940	3.7
119.08585	0.2
120.08135	0.2
121.02853	0.8
121.06508	0.8
121.10125	0.8
122.03649	0.9
123.04411	0.4
123.11685	0.5
124.05192	1.0
125.05994	0.5
127.03936	0.7
130.04144	9.8
131.04924	9.9
131.08562	0.3
132.05707	1.9
133.02847	3.3
133.06494	1.2
133.10184	0.3
134.03709	0.2
135.04404	1.3
135.08032	0.2
135.11679	0.6
136.05197	1.3
137.02368	1.0
137.05969	9.6
137.13245	0.4
145.02840	0.5
145.06451	0.2
145.10141	0.3
146.03604	1.2
147.04401	11.2
148.05173	3.2
149.05972	2.1
150.06778	1.3
151.07515	1.1
151.14830	0.2
153.01822	12.0
155.04909	0.7
157.06554	0.2
159.04391	0.3
159.09152	0.3
161.02365	0.4
161.05986	2.1
162.06752	13.4
163.03801	1.4
163.07521	0.6
165.01849	1.3
165.05608	0.3
165.06973	0.4
167.07101	0.2
167.08511	0.2
171.02907	0.4
171.04445	0.2
173.05984	0.8
175.03903	0.2
177.05524	0.9
179.03383	2.7
179.06958	0.4
180.07846	0.2
181.06490	0.7
182.07207	0.3
183.02933	0.4
183.04446	0.5
184.05185	0.2
185.05986	0.3
187.03940	0.7
189.05440	1.1
191.03377	2.7
191.17964	0.3
193.01401	0.3
193.06476	0.3
195.08029	0.3
197.06004	0.3
199.03937	0.8
201.05458	2.2
203.03249	1.0
205.06525	0.4
207.08142	0.2
209.05991	0.7
209.19054	0.3
210.06842	0.7
211.03918	0.4
213.05647	0.4
215.03287	0.2
215.14334	0.3
217.04962	9.1
219.02940	0.3
221.05978	2.0
223.04007	0.2
223.07469	0.8
225.05458	0.3
226.06119	0.2
226.81615	0.2
227.03423	0.4
228.04121	0.4
229.04944	5.6
230.05682	0.7
231.02834	0.4
232.03706	0.4
235.07536	0.4
237.03102	0.3
237.05441	1.6
237.09125	0.3
238.06250	2.0
239.03452	0.2
239.06912	0.2
240.04286	0.2
241.04987	0.4
243.03099	0.2
243.06635	0.2
245.04440	10.0
246.05101	0.4
247.24271	0.5
249.05441	1.6
250.06131	0.9
251.07071	1.2
253.05006	0.5
255.06473	0.4
257.04428	3.5
258.05222	0.8
261.05618	0.4
263.06970	0.5
265.04962	0.7
265.08551	0.3
265.25302	0.5
266.05679	0.4
267.06470	0.2
269.04471	1.5
273.03918	15.7
274.04730	1.0
277.04932	2.0
279.06558	1.1
281.04602	0.3
283.06030	0.7
283.26212	0.9
285.03934	7.2
285.11099	0.2
286.04642	0.9
287.05643	0.8
291.06598	0.8
297.03976	0.2
299.05557	0.5
301.03418	10.5
301.27463	0.4
302.04208	4.0
303.04959	3.5
305.04520	0.4
311.05411	3.2
313.03406	3.7
315.06253	0.2
319.06033	0.4
327.04932	4.1
329.08163	0.5
332.06747	0.2
339.04962	6.6
345.07047	0.2
347.09201	0.3
357.06100	2.8
369.07373	0.2
375.08624	1.8
385.07199	1.4
389.06433	0.5
402.07233	0.3
403.08194	2.0
413.06631	0.8
419.07227	0.2
431.07605	10.7
432.08304	0.3
433.75433	0.2
448.08276	0.4
451.10199	3.2
463.10248	6.6
481.11279	100.0
482.11676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
63.02366	0.5
65.38493	0.2
67.05501	0.4
68.99785	0.3
69.03415	0.6
69.07061	0.4
71.58888	0.2
71.59264	0.3
79.05489	1.5
81.03424	0.6
81.07062	1.5
83.08614	0.5
85.02895	0.8
85.06522	0.2
89.03915	7.4
91.05466	0.9
93.07024	0.7
95.04942	0.7
95.08601	1.2
97.02912	0.6
97.10143	0.3
102.04681	0.4
105.07009	0.8
107.04948	2.3
107.08598	0.9
109.02852	0.3
109.06512	0.4
109.10142	0.8
113.09633	0.2
117.03373	8.3
119.04942	0.6
119.08559	0.3
119.96511	0.2
121.02866	0.5
121.06445	0.2
121.10139	0.7
123.07965	0.2
123.11703	0.6
127.03891	0.6
130.04129	0.4
131.04921	0.7
131.08638	0.2
133.02808	0.4
133.10167	0.3
135.04413	19.6
135.11705	0.3
137.02377	0.4
137.05984	2.5
139.03920	0.3
143.08545	0.2
145.02843	12.5
145.10124	0.7
147.04376	0.8
149.06003	0.3
151.07417	0.2
152.78448	0.2
153.01808	0.9
158.05975	0.4
159.08005	0.4
161.06070	0.3
162.06757	0.9
163.03897	100.0
164.04283	0.5
167.08588	0.3
169.10031	0.2
173.13228	0.2
181.04924	0.9
183.06665	0.3
186.05580	0.5
191.03392	4.9
197.18919	0.2
209.05940	0.2
215.14302	2.2
217.04982	0.6
221.06006	0.4
229.04979	0.5
233.15422	0.3
245.04471	1.1
247.24236	0.4
257.04471	0.2
265.08212	0.2
265.25214	0.3
273.03925	4.7
283.26297	0.2
285.03964	0.2
285.11288	0.2
297.11166	0.4
301.03384	0.7
301.27121	0.3
302.04248	0.6
303.04877	0.6
305.13593	0.3
339.04968	0.5
395.19525	0.2
431.07507	0.6
436.69418	0.3
463.10605	0.5
481.11154	10.5
481.17087	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01865	0.5
56.96577	0.4
62.06089	0.3
65.03954	0.5
67.01849	0.5
67.05511	0.5
68.99784	1.4
69.03446	0.8
69.07069	0.6
69.67527	1.7
71.04983	0.3
79.05505	1.6
81.03417	1.1
81.07066	0.9
83.08618	0.5
84.96043	0.5
85.02946	1.6
89.03911	0.8
91.05482	3.2
92.02626	0.4
93.03427	0.4
93.07033	0.6
94.04183	0.4
95.04961	0.7
95.08620	0.9
97.02892	1.2
98.97589	1.1
102.04685	3.3
103.05469	1.4
105.03392	1.3
105.07029	1.2
107.04967	1.5
107.08614	0.7
109.02902	1.0
109.06504	0.5
109.10150	0.4
110.03696	0.4
115.05489	0.4
116.98606	0.7
117.03391	0.7
118.04175	0.4
119.04979	1.8
119.08569	0.9
121.02862	0.5
121.06529	1.6
121.10125	0.6
122.03657	1.2
123.04416	0.5
124.05180	1.7
127.03910	1.0
128.98592	0.5
130.04144	5.1
131.04932	5.7
132.05698	1.9
133.02852	8.1
133.06461	0.8
133.10139	0.7
134.03656	0.3
134.99629	0.5
135.04384	1.9
135.08017	0.4
135.11731	0.3
136.05208	2.9
137.02415	0.5
137.05986	8.7
145.06480	0.6
145.10133	0.4
146.03648	1.3
146.99609	0.4
147.04419	7.0
148.05199	4.7
149.05998	3.1
150.06752	2.8
151.07544	0.6
152.08351	0.3
153.01834	7.4
159.04469	0.7
161.05971	2.1
162.06767	6.9
163.03862	0.8
163.07594	0.4
165.01860	1.3
165.05473	0.6
165.09099	0.6
167.07123	0.6
170.02264	0.3
173.13210	0.5
175.03868	0.5
177.05472	1.5
179.03438	2.0
181.06493	0.7
183.04420	0.4
187.03902	0.7
189.05528	1.3
191.03395	3.0
199.03944	0.5
200.04649	0.3
201.00671	0.4
201.03940	0.4
201.05414	1.6
203.03328	0.9
211.21690	0.4
213.05534	0.5
215.14323	1.3
216.04010	0.4
217.04959	8.3
219.01675	0.8
221.06047	0.7
223.07504	0.5
228.04376	0.5
229.04977	4.6
230.05757	0.8
231.02859	0.5
233.15352	0.6
237.02887	1.7
237.05257	0.4
238.06241	0.5
239.03493	0.4
243.06427	0.4
245.04442	8.0
246.05138	0.6
249.05580	0.8
251.07030	0.4
254.04709	0.6
255.06497	0.5
257.04428	3.5
258.05258	1.2
261.05783	0.3
265.08725	0.3
269.04492	1.7
269.07199	0.4
271.06177	0.5
272.05750	0.6
273.03958	13.8
274.04755	0.8
277.05017	0.4
281.04361	0.3
285.03955	6.1
286.04785	1.5
287.05554	1.5
297.03778	0.4
299.05380	0.5
301.03452	10.4
302.04218	4.5
303.04968	3.6
311.05212	2.1
313.03421	4.0
327.04965	1.7
339.04962	3.8
345.61606	0.3
357.05829	1.5
375.08771	0.6
385.07220	0.9
391.08212	0.5
395.10358	0.6
403.08185	1.2
413.06546	0.7
413.11307	1.2
419.07507	0.8
431.07684	4.9
437.12045	1.1
448.07526	0.4
451.10059	4.4
463.10278	14.9
481.11292	100.0
482.11417	2.2
505.94653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0977
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03958	0.6
55.05504	0.9
60.04522	0.5
61.02925	5.6
67.05489	0.8
68.99784	0.5
69.03417	1.8
69.07055	0.5
70.06588	0.7
71.04961	0.5
71.59306	0.7
72.36713	0.5
72.88361	0.4
73.02908	1.9
81.03419	0.9
81.07045	0.7
84.04499	1.0
84.08136	0.4
85.02910	5.4
85.91050	0.4
86.09703	1.4
87.04420	0.6
91.03957	2.9
91.05431	0.6
93.07034	1.1
95.04978	0.7
95.08578	0.7
97.02899	4.8
100.11297	0.5
105.07018	1.5
107.08601	0.6
109.02869	1.0
109.10159	1.0
111.04446	0.6
117.07032	0.4
119.08591	0.5
120.08110	2.6
121.02872	0.5
123.04430	0.6
126.05492	0.6
127.03937	2.2
133.10121	1.8
134.05113	0.5
137.02362	7.0
137.03371	0.6
137.05983	0.8
137.09616	0.6
138.05504	1.6
147.04404	0.9
151.03908	0.5
151.11171	0.6
153.01845	3.6
163.03915	0.9
165.01857	0.5
168.06503	0.7
169.01314	3.1
171.04373	0.9
177.05537	0.5
181.01328	0.5
186.07635	0.7
199.03893	1.3
204.08746	0.5
215.14204	0.5
217.04955	1.7
227.03366	0.7
231.02858	0.6
245.04585	3.0
246.14978	0.8
248.14584	0.5
248.64545	0.9
251.35428	0.5
254.13506	1.1
254.63600	0.6
263.05447	0.6
273.03964	7.0
290.04315	0.6
291.05060	1.0
301.03439	6.3
303.05048	2.0
319.04495	100.0
320.04865	1.4
377.01834	0.8
389.45844	0.5
453.34509	0.6
481.11053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.05504	0.9
60.04522	0.5
61.02925	5.6
67.05489	0.8
68.99784	0.5
69.03417	1.8
69.07055	0.5
70.06588	0.7
71.04961	0.5
71.59306	0.7
72.36713	0.5
72.88361	0.4
73.02908	1.9
81.03419	0.9
81.07045	0.7
84.04499	1.0
84.08136	0.4
85.02910	5.4
85.91050	0.4
86.09703	1.4
87.04420	0.6
91.03957	2.9
91.05431	0.6
93.07034	1.1
95.04978	0.7
95.08578	0.7
97.02899	4.8
100.11297	0.5
105.07018	1.5
107.08601	0.6
109.02869	1.0
109.10159	1.0
111.04446	0.6
117.07032	0.4
119.08591	0.5
120.08110	2.6
121.02872	0.5
123.04430	0.6
126.05492	0.6
127.03937	2.2
133.10121	1.8
134.05113	0.5
137.02362	7.0
137.03371	0.6
137.05983	0.8
137.09616	0.6
138.05504	1.6
147.04404	0.9
151.03908	0.5
151.11171	0.6
153.01845	3.6
163.03915	0.9
165.01857	0.5
168.06503	0.7
169.01314	3.1
171.04373	0.9
177.05537	0.5
181.01328	0.5
186.07635	0.7
199.03893	1.3
204.08746	0.5
215.14204	0.5
217.04955	1.7
227.03366	0.7
231.02858	0.6
245.04585	3.0
246.14978	0.8
248.14584	0.5
248.64545	0.9
251.35428	0.5
254.13506	1.1
254.63600	0.6
263.05447	0.6
273.03964	7.0
290.04315	0.6
291.05060	1.0
301.03439	6.3
303.05048	2.0
319.04495	100.0
320.04865	1.4
377.01834	0.8
389.45844	0.5
453.34509	0.6
481.11053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01870	2.8
55.05518	6.6
55.49284	0.6
56.05027	2.5
57.03431	2.3
57.07072	1.6
60.04531	51.7
67.05506	16.2
67.32397	0.9
69.03434	2.7
69.07076	7.7
70.06604	1.5
70.64780	2.4
71.05000	8.6
72.04512	1.6
74.06069	2.3
79.05506	12.5
80.05002	2.0
81.03423	12.2
81.07059	23.1
82.06570	1.0
83.01370	0.7
83.04985	1.5
83.08621	3.1
84.04539	1.0
85.02903	4.8
85.06542	6.3
86.06049	1.3
86.09688	1.2
86.43597	0.6
88.07650	1.2
90.05538	0.9
91.05471	3.8
93.07051	11.9
94.06543	4.7
95.04978	4.9
95.08613	22.1
95.18939	0.7
96.08146	1.8
97.02907	1.1
97.06536	7.9
97.10139	1.3
98.06049	2.6
98.09731	1.7
99.04415	0.8
99.08098	4.2
101.93302	0.7
103.03888	0.7
103.05476	0.8
104.92598	0.6
105.07037	7.2
107.07306	0.9
107.08608	3.2
109.02905	1.2
109.06569	1.0
109.10162	6.2
110.09701	2.1
111.04459	0.7
111.08094	5.4
111.11643	0.8
112.11263	1.6
115.66221	0.8
119.08573	2.0
120.08116	1.6
121.10146	4.5
122.09689	8.3
122.10490	1.2
123.08080	23.8
123.11674	3.3
127.03915	2.1
128.10730	9.7
129.09151	0.7
131.08574	1.2
133.10159	1.0
135.08067	0.8
135.11700	3.2
137.05983	2.4
138.09108	0.8
140.10710	68.8
141.09105	8.0
141.10985	0.8
142.07776	1.8
145.10101	1.5
147.04443	1.9
149.13237	1.6
157.10158	1.3
158.11766	10.6
163.11211	1.1
176.12828	9.5
185.09717	1.4
194.13943	2.2
197.11760	2.0
205.19588	1.5
211.65735	0.7
213.09204	2.3
217.12289	0.8
223.20601	0.9
241.21684	1.2
268.22769	1.6
283.15414	2.4
286.23795	2.1
310.23892	2.2
328.24915	0.9
390.30032	1.7
396.31073	0.8
408.31110	7.0
426.26355	1.5
426.32202	42.2
444.33246	100.0
445.33435	2.0
454.73566	0.7
462.34311	46.3
463.34756	1.3
480.16525	0.9
480.35437	4.0
481.20691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3084
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05508	9.2
57.03429	3.3
57.07079	3.3
58.65147	1.0
62.05780	1.8
62.06085	26.7
65.35778	1.1
65.47989	1.0
67.05496	8.5
67.59549	1.0
69.07064	15.9
69.94072	6.6
71.08622	3.4
79.05489	3.1
79.35212	1.0
81.07043	9.8
81.07478	1.5
83.08614	9.2
83.67310	1.0
85.10242	1.2
93.07035	4.6
95.08602	9.1
97.10165	5.5
98.06012	1.3
98.20792	1.6
98.57060	1.0
98.98463	5.8
107.08591	3.6
109.10126	2.5
111.11708	1.1
121.10144	4.6
124.01601	1.3
135.11725	3.0
155.01024	5.1
166.08133	1.0
167.67320	1.1
216.06316	3.5
247.24190	1.4
265.25223	4.3
276.93198	1.2
308.29501	12.6
337.27167	5.2
339.28925	100.0
419.25635	3.5
441.14276	1.2
462.29886	6.8
480.30658	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.05510	10.6
57.03181	0.5
57.03435	6.2
57.06832	0.3
57.07074	5.8
67.05170	0.6
67.05501	7.8
69.07067	16.4
70.73514	0.5
70.73852	0.7
71.04960	0.4
71.08628	3.0
78.49913	0.4
79.05489	3.7
81.07049	9.7
83.08140	0.7
83.08614	10.7
85.06540	0.5
85.10163	1.2
88.03961	0.4
91.05466	0.4
93.07036	5.5
95.08600	9.9
97.06529	1.6
97.10169	5.5
98.06033	0.5
107.08587	3.1
108.14201	0.4
109.10149	4.4
111.08075	1.0
111.11723	1.8
121.10144	5.9
123.11691	1.3
125.09619	0.5
135.11693	3.5
139.11153	0.5
149.13258	1.1
153.12727	0.6
163.14822	0.5
198.05229	0.5
216.06369	0.6
235.87285	0.3
247.24161	0.7
255.41501	0.4
265.25211	1.0
308.29443	5.0
311.29843	0.4
339.28925	100.0
340.29214	1.4
439.24377	1.2
472.16589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	20.2
56.94418	6.1
67.05509	15.1
69.07050	16.0
71.47828	11.9
79.05486	7.9
81.07047	25.8
83.04983	17.2
91.05466	24.6
93.07054	28.8
95.04978	10.9
95.08609	36.0
105.07017	30.4
107.08604	31.9
109.10140	18.2
117.07053	7.9
119.08595	82.9
121.10124	20.3
123.11697	6.8
131.08546	17.4
133.10165	39.8
137.09637	8.0
139.03893	20.6
143.08559	15.9
144.44829	7.3
145.10147	50.5
147.11646	16.7
149.13188	8.7
155.08527	12.7
156.09344	8.2
157.10091	21.3
159.11710	33.3
161.13280	7.5
169.10132	26.9
171.11691	16.2
173.09592	9.3
173.13345	18.4
175.11307	7.4
175.14851	8.0
183.07938	7.1
183.11667	42.1
185.13252	15.5
187.11208	7.5
187.14857	12.6
197.09624	16.6
197.13257	27.3
199.11246	6.9
199.14787	7.3
201.16386	30.3
205.15833	15.9
209.13370	11.8
211.11133	14.3
211.14861	9.2
215.10735	18.0
225.12755	14.1
225.16422	22.2
229.19490	10.5
239.17946	30.7
243.17462	38.0
253.15967	15.5
257.19012	8.9
267.17505	75.4
271.16849	9.6
285.18536	66.5
293.58627	7.0
295.17050	57.6
299.19946	24.7
303.19516	15.3
313.17957	100.0
317.21002	7.6
327.19547	44.8
331.19098	16.3
345.20551	21.6
345.58902	7.9
353.34659	7.7
427.92181	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	480.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74852	1.7
53.03932	5.3
55.01859	7.9
55.05509	14.6
57.03420	5.6
57.07066	7.3
61.02911	3.3
67.05505	22.9
68.99783	4.3
69.03422	28.2
69.07063	11.5
70.06605	2.1
70.13441	1.8
70.76719	3.8
71.04981	6.8
71.08637	2.2
73.02905	5.9
79.05486	5.3
81.03415	22.3
81.07056	51.2
83.04946	2.1
83.08622	15.9
85.02905	100.0
86.03279	1.7
87.00833	41.8
91.05451	4.2
93.07043	8.8
95.04984	2.7
95.08606	68.6
97.02888	31.2
97.10165	19.1
99.04456	11.3
99.08092	3.2
105.01862	85.2
105.07025	3.8
107.04943	3.4
107.08591	5.7
108.04444	2.6
109.02869	27.3
109.10152	68.0
111.04510	2.6
115.11176	2.5
117.07011	2.3
119.08566	5.4
120.08900	1.9
121.10126	3.5
123.11707	77.9
127.03909	70.9
129.01825	2.8
131.08672	2.4
133.10132	3.9
135.11725	11.2
137.02295	4.0
137.13254	33.2
145.04958	31.2
145.10135	4.8
147.02885	2.6
147.04385	3.0
149.13200	2.1
153.01802	3.9
159.02879	10.8
163.03896	6.5
163.11226	14.2
177.04005	1.8
177.05489	5.0
179.17944	62.9
179.19466	3.9
179.86864	2.0
181.12157	3.0
181.98842	1.8
184.07292	3.4
189.03864	4.1
191.03400	50.0
197.18999	57.7
213.03995	8.9
227.12817	19.1
231.05005	33.1
248.07585	3.4
249.06042	19.6
273.03937	43.7
283.15372	35.7
301.03418	2.7
302.04269	3.8
303.04880	3.3
314.31607	1.7
317.99921	2.0
318.21436	4.7
362.40100	2.2
375.29971	2.0
461.63974	2.1
480.19202	6.1
481.16513	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	480.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74852	1.7
53.03932	5.3
55.01859	7.9
55.05509	14.6
57.03420	5.6
57.07066	7.3
61.02911	3.3
67.05505	22.9
68.99783	4.3
69.03422	28.2
69.07063	11.5
70.06605	2.1
70.13441	1.8
70.76719	3.8
71.04981	6.8
71.08637	2.2
73.02905	5.9
79.05486	5.3
81.03415	22.3
81.07056	51.2
83.04946	2.1
83.08622	15.9
85.02905	100.0
86.03279	1.7
87.00833	41.8
91.05451	4.2
93.07043	8.8
95.04984	2.7
95.08606	68.6
97.02888	31.2
97.10165	19.1
99.04456	11.3
99.08092	3.2
105.01862	85.2
105.07025	3.8
107.04943	3.4
107.08591	5.7
108.04444	2.6
109.02869	27.3
109.10152	68.0
111.04510	2.6
115.11176	2.5
117.07011	2.3
119.08566	5.4
120.08900	1.9
121.10126	3.5
123.11707	77.9
127.03909	70.9
129.01825	2.8
131.08672	2.4
133.10132	3.9
135.11725	11.2
137.02295	4.0
137.13254	33.2
145.04958	31.2
145.10135	4.8
147.02885	2.6
147.04385	3.0
149.13200	2.1
153.01802	3.9
159.02879	10.8
163.03896	6.5
163.11226	14.2
177.04005	1.8
177.05489	5.0
179.17944	62.9
179.19466	3.9
179.86864	2.0
181.12157	3.0
181.98842	1.8
184.07292	3.4
189.03864	4.1
191.03400	50.0
197.18999	57.7
213.03995	8.9
227.12817	19.1
231.05005	33.1
248.07585	3.4
249.06042	19.6
273.03937	43.7
283.15372	35.7
301.03418	2.7
302.04269	3.8
303.04880	3.3
314.31607	1.7
317.99921	2.0
318.21436	4.7
362.40100	2.2
375.29971	2.0
461.63974	2.1
480.19202	6.1
481.16513	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	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.1
55.05509	4.8
57.03442	13.3
59.04998	6.7
61.02920	5.8
67.05505	4.9
69.03070	3.6
69.03426	31.0
69.07067	3.5
69.66942	7.7
69.67352	7.1
70.06586	9.1
71.01332	2.2
71.04979	6.1
72.08149	12.7
73.02914	21.0
74.06080	2.2
79.05484	10.8
81.03419	6.3
81.07042	13.1
83.05001	2.8
84.04499	2.9
84.08140	4.0
85.02909	34.7
86.09702	6.8
87.00839	2.1
87.04477	12.0
91.05480	53.7
93.07034	23.3
95.04968	7.1
95.08616	3.5
96.50887	2.2
97.02888	34.6
97.06506	2.2
98.97599	3.7
99.04465	4.6
103.03939	2.8
103.05466	7.4
105.03394	6.8
105.07024	75.1
107.04963	5.9
107.08586	12.7
109.02876	7.0
109.06499	11.0
109.10159	4.7
110.07163	2.7
111.04454	2.3
114.05526	10.1
115.03943	27.2
115.05420	2.0
116.98568	2.9
117.03391	2.5
117.07018	2.8
119.04935	42.8
119.08607	3.7
120.08116	6.7
121.02879	2.7
121.06496	6.8
121.10116	3.7
122.03618	2.2
123.08067	3.3
123.11711	9.0
126.09132	11.4
127.03889	11.7
129.07010	4.3
129.10193	2.3
131.04936	6.9
131.08571	8.9
133.04965	20.0
133.06485	7.4
133.10132	100.0
134.99609	2.6
135.04369	4.5
135.08061	3.6
135.11684	5.7
136.07631	2.6
137.05975	69.9
139.03883	3.0
143.08632	2.3
145.02783	2.7
145.04982	8.2
145.10136	4.8
147.04401	19.3
147.08098	3.1
149.05998	4.8
149.09627	5.9
150.86841	2.1
151.07562	26.8
151.11188	17.5
153.05472	2.4
153.12732	10.7
159.08040	4.2
159.11606	2.3
161.05975	24.1
162.06726	8.4
163.03915	26.8
163.05984	2.8
165.05585	2.7
167.07039	4.0
169.12270	7.9
171.13765	2.3
175.07529	16.0
175.11209	9.3
177.00665	2.3
179.07014	26.1
187.07574	5.9
191.08595	2.5
193.03174	4.7
193.08661	3.5
195.96713	2.0
205.08658	11.9
210.90062	2.2
213.64566	2.0
217.12225	3.3
219.07996	2.7
223.06082	2.7
235.09691	3.6
237.02831	2.5
247.13156	3.6
251.10641	2.5
259.08105	3.2
265.14343	14.5
279.10065	5.2
283.15482	5.5
288.12329	9.2
291.10175	2.2
295.10181	3.9
295.15317	2.2
297.11362	4.1
309.11087	10.2
311.12750	7.2
313.16263	2.8
318.06885	6.2
329.13739	4.0
341.13763	11.2
480.17981	8.7
480.25153	2.3
480.32489	10.7
481.16959	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	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.05502	6.3
56.05037	2.8
56.96554	1.8
57.03439	12.2
59.05010	8.6
60.04547	3.4
61.02916	2.6
65.03934	1.7
65.24835	1.5
67.05501	5.5
69.03429	45.1
69.07043	2.0
70.06589	4.9
71.04984	4.4
71.58793	2.7
72.08155	36.9
73.02918	4.8
77.03923	1.8
79.05497	10.2
81.03424	7.8
81.07056	23.4
83.04988	3.2
83.06103	2.1
84.08131	1.9
85.02908	36.0
86.09709	9.9
87.04468	28.3
91.05478	46.7
93.07043	81.9
95.04968	6.9
95.08578	7.1
97.02897	37.3
97.06515	1.9
99.04475	3.3
103.05471	2.3
105.07032	100.0
107.04940	2.6
107.08604	13.8
109.02898	3.5
109.06533	3.3
109.10157	2.0
110.07178	2.0
111.04453	2.1
115.03922	40.0
117.07027	4.7
119.04929	13.1
119.08591	2.8
120.08098	12.6
121.10151	6.7
123.08130	2.1
123.11703	8.8
123.50256	1.5
127.03899	5.6
128.10722	4.8
129.07007	3.2
129.10197	2.3
131.05002	1.5
131.08588	8.2
133.04965	44.4
133.06514	2.6
133.10127	84.5
135.08058	4.0
135.11674	3.2
137.02435	1.7
137.05991	12.1
141.06682	2.3
143.08597	2.5
145.04973	7.1
145.10144	4.1
147.04427	17.9
147.08112	2.2
147.11671	1.7
149.09660	4.1
150.07654	4.0
151.07512	4.2
151.11172	32.6
153.12730	4.7
157.09956	2.3
159.08012	4.2
159.11487	1.9
161.05951	2.9
163.03949	2.9
163.06036	2.3
163.11203	4.5
166.08638	3.6
167.07082	4.3
169.12227	5.4
171.07851	1.6
173.09666	3.1
175.11166	4.5
179.07031	3.7
179.10724	2.5
187.07549	2.4
187.11166	1.7
193.12245	10.3
217.12244	1.8
223.10832	3.3
235.13287	3.0
240.13464	5.7
247.13269	3.4
253.14453	1.9
255.17191	2.6
258.14548	1.5
259.08081	3.6
265.14319	5.2
277.09229	2.2
283.15417	6.6
284.15973	1.5
295.10178	4.7
309.11169	1.9
313.16513	6.5
315.16608	2.7
322.17508	5.7
331.17505	2.7
480.24808	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.01857	7.7
55.05519	5.1
57.03427	6.5
61.02919	6.3
67.05501	8.1
68.99769	2.3
69.03434	29.1
69.07063	8.8
71.05003	5.3
71.59418	2.5
71.59781	2.4
72.98591	1.9
73.02917	5.9
75.48730	1.9
79.05494	6.8
81.03040	2.4
81.03424	25.1
81.07068	26.0
83.08613	6.1
85.02910	81.4
85.06533	3.6
87.00833	23.8
89.15649	2.3
91.05473	7.6
93.07045	9.8
95.08613	30.8
97.02903	30.8
97.06517	7.5
99.04459	12.5
99.08066	3.5
105.01877	29.2
105.07040	12.3
107.08573	5.7
109.02885	24.9
109.06472	3.1
109.10135	3.3
117.01820	2.7
119.08607	16.2
121.10122	3.9
123.08048	4.8
127.03925	57.1
127.07448	2.1
129.01863	3.3
133.10107	11.9
135.11682	7.1
137.13237	10.2
141.90529	2.0
145.04979	23.3
147.02803	2.6
151.07523	7.6
159.02859	9.6
161.13268	53.3
165.09138	2.4
179.14317	100.0
189.04019	4.2
197.13548	3.5
197.15379	65.6
213.04063	4.3
215.16400	17.2
231.05032	16.4
235.21017	2.4
249.06096	2.2
265.69461	2.5
287.16537	3.9
305.17429	8.1
323.18631	5.0
330.10999	2.2
336.99176	2.4
365.19702	2.7
409.18640	11.8
427.19672	4.7
437.11334	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.01857	7.7
55.05519	5.1
57.03427	6.5
61.02919	6.3
67.05501	8.1
68.99769	2.3
69.03434	29.1
69.07063	8.8
71.05003	5.3
71.59418	2.5
71.59781	2.4
72.98591	1.9
73.02917	5.9
75.48730	1.9
79.05494	6.8
81.03040	2.4
81.03424	25.1
81.07068	26.0
83.08613	6.1
85.02910	81.4
85.06533	3.6
87.00833	23.8
89.15649	2.3
91.05473	7.6
93.07045	9.8
95.08613	30.8
97.02903	30.8
97.06517	7.5
99.04459	12.5
99.08066	3.5
105.01877	29.2
105.07040	12.3
107.08573	5.7
109.02885	24.9
109.06472	3.1
109.10135	3.3
117.01820	2.7
119.08607	16.2
121.10122	3.9
123.08048	4.8
127.03925	57.1
127.07448	2.1
129.01863	3.3
133.10107	11.9
135.11682	7.1
137.13237	10.2
141.90529	2.0
145.04979	23.3
147.02803	2.6
151.07523	7.6
159.02859	9.6
161.13268	53.3
165.09138	2.4
179.14317	100.0
189.04019	4.2
197.13548	3.5
197.15379	65.6
213.04063	4.3
215.16400	17.2
231.05032	16.4
235.21017	2.4
249.06096	2.2
265.69461	2.5
287.16537	3.9
305.17429	8.1
323.18631	5.0
330.10999	2.2
336.99176	2.4
365.19702	2.7
409.18640	11.8
427.19672	4.7
437.11334	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01877	4.9
55.05512	16.9
56.96577	1.3
57.03442	5.4
57.07070	1.1
61.02932	1.1
63.25698	0.9
67.05505	16.4
69.03436	3.0
69.07069	15.2
71.05002	1.3
71.08632	20.1
71.59263	1.3
74.31205	0.8
79.05489	12.6
81.03411	3.2
81.07055	20.0
83.04993	5.2
83.08609	7.1
85.06532	1.2
85.42410	0.9
91.05482	10.0
93.07052	11.1
95.04960	4.4
95.08612	7.6
97.02914	1.4
97.06519	2.5
97.10160	7.7
99.08094	13.4
105.07032	6.9
107.04943	3.0
107.07934	1.5
107.08581	8.4
109.06527	2.2
109.10172	5.7
109.33390	1.0
111.08064	1.4
113.00016	30.7
113.09674	1.2
117.07013	3.4
119.08585	4.0
121.06516	2.9
121.10146	4.5
123.08095	2.5
123.11742	1.3
125.09623	5.9
129.07042	1.4
131.08571	3.8
133.06541	1.3
133.10153	5.3
135.07996	2.2
135.11708	3.1
139.11151	1.0
143.08548	1.5
145.10059	2.1
147.11685	2.1
149.09625	1.3
149.13257	1.7
151.11147	3.1
157.10109	1.3
159.11729	1.9
163.03934	1.5
163.11145	1.8
165.12730	1.5
166.68738	1.0
167.10701	2.4
169.02574	4.9
175.11192	1.3
177.12766	3.3
183.37706	0.9
187.03691	4.1
189.11189	4.5
227.12692	2.3
247.20557	1.6
253.14407	2.1
267.15897	2.4
275.20059	9.1
285.13364	2.0
285.63684	1.8
293.21103	100.0
294.18307	1.0
294.21384	1.5
317.06519	3.5
349.23724	5.3
367.24780	74.2
368.24982	1.3
369.23642	1.2
443.22055	3.5
443.28009	1.3
444.11337	1.0
461.22998	3.1
461.29010	1.5
479.29706	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	479.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
54.85526	0.2
55.05499	0.5
57.03405	0.3
57.07061	0.3
61.31394	0.2
63.02358	0.5
65.03924	0.3
67.05516	1.0
69.03419	1.1
69.07061	1.7
70.99505	0.4
70.99839	0.3
71.04980	0.3
75.30804	0.2
79.05489	2.3
81.03410	0.8
81.07053	4.7
83.04967	0.5
83.08620	0.7
83.52840	0.2
85.02920	1.3
85.06532	0.3
89.03912	7.0
91.05462	0.9
93.07049	1.8
95.04984	1.3
95.08590	2.0
97.02879	0.9
97.06521	0.4
97.10144	0.2
99.04465	0.2
99.08086	0.5
105.07021	1.5
107.04942	2.7
107.08604	1.5
109.06505	0.7
109.10128	0.8
111.04439	0.3
111.08074	0.6
111.11706	0.3
115.03894	0.5
117.03378	7.7
117.07028	0.5
119.08564	1.2
121.06495	0.4
121.10150	0.9
123.04411	0.4
123.08048	0.7
123.11693	0.5
127.03867	0.5
129.05469	0.3
129.06937	0.2
131.08549	0.7
133.10095	0.9
135.04408	18.3
135.07988	1.0
135.11674	1.1
136.04703	0.2
137.05960	0.4
137.09576	0.4
137.13248	1.1
139.07436	0.2
142.07675	0.2
143.08527	0.4
145.02846	11.4
145.10077	0.5
147.08058	0.3
147.11671	0.7
149.13295	0.4
151.07550	2.0
151.11034	0.2
153.12682	0.8
155.08482	0.3
155.14235	0.2
157.10071	0.2
159.07964	0.2
159.11685	0.9
161.06041	0.2
161.09653	0.4
161.13229	0.7
163.03899	100.0
164.04353	1.0
165.09108	1.5
165.12720	1.3
167.14365	0.4
169.10176	0.2
171.11716	0.3
173.13365	0.5
174.12880	0.2
175.11073	0.3
177.09120	0.8
177.12787	0.6
179.14330	0.8
181.04956	0.8
183.11736	0.3
185.13258	0.2
186.05521	0.7
189.09367	0.2
189.12724	0.3
191.10591	1.3
191.14294	0.5
195.13776	0.3
201.12833	0.3
203.14345	0.6
205.12239	0.8
207.13788	0.2
215.14465	0.4
217.15945	0.3
219.13763	0.2
221.15335	0.6
223.06091	0.3
227.14304	0.5
229.12257	0.4
233.15422	0.3
245.15407	1.4
263.16464	1.7
263.18784	0.3
265.07068	0.5
281.17471	0.7
295.08081	0.5
299.18430	0.6
307.08130	0.3
317.06482	0.4
325.09164	0.8
341.97659	0.2
381.42264	0.3
443.20877	0.3
461.21710	0.9
461.31985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01870	0.6
57.03443	0.8
61.02927	1.8
65.03922	0.2
67.05492	0.4
67.99086	0.1
68.99779	0.2
69.03082	0.3
69.03433	3.8
70.04813	0.2
70.05101	0.7
71.04992	0.5
73.02927	0.7
79.05483	0.3
81.03425	2.0
81.07052	0.3
83.01331	0.2
83.08617	0.1
84.86237	0.1
85.02907	10.6
85.06546	0.2
87.04453	0.4
89.69884	0.1
91.03968	0.6
91.05504	0.2
92.02634	0.9
93.03407	0.9
93.07035	0.2
94.63377	0.1
95.04978	0.2
95.08602	0.4
97.02896	4.2
99.04483	0.7
101.02348	0.1
105.07034	0.3
107.04944	0.1
107.08563	0.3
109.02872	1.0
109.10138	0.3
119.08564	0.6
121.02892	0.8
121.10151	0.2
123.11658	0.2
126.03178	0.3
127.03926	2.2
133.10115	0.4
137.02348	0.2
139.03899	0.9
143.08549	0.2
145.02959	0.1
145.04971	1.6
145.10115	0.2
147.04488	0.1
147.11710	0.2
151.03889	1.0
153.01837	7.0
159.11685	0.2
161.06046	0.2
163.03824	0.2
164.00870	0.1
165.01854	0.6
171.11717	0.1
175.14619	0.1
177.05467	0.5
179.03525	0.1
183.02911	0.2
183.11658	0.2
195.65778	0.1
197.13185	0.1
200.04773	0.2
200.12985	0.1
201.05486	0.7
201.16385	0.1
203.03413	0.5
217.04985	0.8
218.05774	0.7
219.02930	0.2
228.04202	1.3
229.04990	2.8
231.02885	0.4
245.04472	1.2
246.05255	1.7
256.03665	0.3
257.04477	2.4
260.03217	0.3
261.07544	0.3
273.03946	2.1
274.04739	3.7
284.03290	0.3
285.03931	4.1
285.31329	0.1
287.01907	0.2
288.06412	0.3
301.03464	0.2
302.04233	12.5
303.04480	0.1
317.06567	100.0
318.06940	1.5
329.06693	0.3
359.07822	0.3
370.61990	0.1
424.30530	0.2
479.26620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57441	0.4
55.05502	1.4
55.49516	0.5
57.03428	0.5
57.07046	0.6
67.05490	1.9
69.03406	1.6
69.07064	3.0
70.19054	2.5
77.66806	0.5
78.56081	0.5
79.05489	2.5
81.03403	1.3
81.07058	4.3
83.04938	0.7
83.08589	0.9
85.02893	2.2
89.03905	7.1
91.05471	2.0
93.07024	3.0
93.45975	0.5
95.04964	1.2
95.08610	2.7
97.02897	2.5
105.07006	2.5
107.04956	2.5
107.08586	2.3
109.02831	0.6
109.06514	1.0
109.10126	1.6
111.04436	0.7
117.03371	7.3
117.07020	0.6
119.08574	2.1
119.56837	0.4
121.06498	0.6
121.10158	2.3
123.08057	0.6
123.11713	0.7
127.03924	0.5
131.08562	0.7
133.10103	2.4
135.04405	16.1
135.08022	1.0
135.11687	1.4
137.09712	0.5
137.13264	1.2
139.11136	0.6
143.08606	0.6
145.02829	12.2
145.10115	1.2
147.08044	0.6
147.11653	1.1
153.12766	0.9
157.10120	0.8
159.09238	0.7
159.11696	1.1
161.09633	0.7
161.13229	0.7
163.03894	100.0
164.04268	1.1
165.09102	0.6
165.12706	1.1
171.11554	0.7
173.13249	1.0
175.11250	0.7
179.14290	1.0
181.04938	1.2
188.06905	0.7
191.14420	0.6
203.08971	0.6
203.14395	0.7
221.15393	0.6
230.31311	0.5
245.15414	1.6
263.16360	1.9
281.17566	0.9
299.18463	0.7
317.06635	1.0
317.20853	0.7
325.09116	2.7
346.67062	0.6
380.12964	0.6
443.20547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67702	0.2
53.03929	0.6
54.54316	0.2
55.01864	0.4
55.62955	0.2
57.03426	0.7
61.02926	2.1
69.03422	3.3
69.67394	0.2
70.99270	0.4
70.99621	0.5
71.04975	0.4
73.02900	0.7
75.61932	0.2
81.03412	1.9
85.02903	9.6
87.04466	0.4
91.03941	0.8
92.02602	1.0
93.03395	0.8
97.02884	4.0
98.75283	0.2
99.04447	0.4
109.02887	1.1
111.00823	0.3
121.02862	1.0
126.03134	0.5
127.03899	2.2
137.02277	0.2
139.03879	0.8
145.04970	1.8
151.03900	0.6
153.01817	7.6
165.01845	0.8
169.01221	0.2
177.05403	0.2
201.05496	0.6
203.03304	0.3
217.04991	0.5
218.05688	0.7
219.02748	0.3
228.04221	1.6
229.04913	3.3
231.02863	0.5
245.04587	1.2
246.05215	1.9
257.04443	2.2
260.03183	0.4
261.07410	0.3
273.03827	1.8
274.04709	4.1
284.03174	0.7
285.03943	4.1
286.04578	0.2
299.05203	0.2
302.04208	11.4
317.06537	100.0
318.06854	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03947	0.7
55.01866	0.8
57.03435	1.2
61.02934	1.7
67.05502	0.6
69.03437	3.3
69.37090	3.5
71.04982	0.4
72.08149	0.9
73.02921	0.5
79.05490	0.6
81.03419	2.2
81.07056	1.6
85.02428	0.7
85.02910	9.7
86.09725	0.7
87.04502	0.6
91.03951	0.5
91.05486	0.5
92.02624	0.8
93.03409	0.8
93.07050	0.5
95.08595	0.9
97.02905	3.5
98.20707	0.5
98.76949	0.3
99.04468	0.7
105.07015	0.5
107.08628	0.5
109.02875	1.6
117.06993	0.4
120.08108	0.6
121.02874	1.1
127.03918	16.0
131.08598	0.7
135.11755	0.5
137.02339	0.4
139.03915	1.0
145.04976	1.7
145.10110	0.5
149.09615	0.8
151.03943	0.6
153.01826	8.3
153.02998	0.6
163.11264	0.4
165.01883	0.7
173.09558	0.3
177.05386	0.4
191.10768	0.5
201.05489	0.5
217.04965	0.8
228.04195	1.5
229.05020	2.6
245.04503	1.3
246.05290	1.5
257.04495	2.2
261.07590	0.5
273.03925	1.3
274.04755	4.4
284.03091	0.8
285.03952	4.7
302.04227	12.7
317.06573	100.0
318.06915	1.2
330.75403	0.4
428.66901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
55.01863	4.5
55.05496	2.3
56.05024	0.9
57.03440	5.9
60.04512	1.9
61.02923	2.9
67.05507	4.4
68.99812	5.2
69.03431	37.4
69.07065	1.0
70.06584	2.6
70.97374	0.7
71.01347	1.9
71.04712	0.7
71.04995	7.4
71.59184	1.5
73.02906	2.1
79.05476	3.1
81.03418	46.7
81.07044	3.0
83.01346	1.5
83.04987	8.1
83.54897	0.9
85.02906	58.1
86.09698	1.8
87.00834	16.0
87.04460	0.8
88.07602	3.1
91.05486	1.7
93.07038	1.9
95.04977	3.8
95.08601	1.8
97.02895	14.8
98.09724	0.8
99.04453	17.1
101.02386	1.5
103.03918	3.4
105.01881	6.3
105.07009	2.7
107.04934	1.0
107.08562	4.0
108.08118	3.1
108.08871	1.9
109.02879	39.4
109.08418	1.0
109.10128	3.0
111.04436	6.5
115.03921	1.4
117.06929	1.2
119.04909	1.5
119.08549	2.4
121.02875	1.3
121.06453	1.4
121.10133	1.6
123.04453	4.1
125.02367	2.6
125.09646	4.5
126.09979	1.9
127.03919	100.0
128.04187	1.2
129.01836	3.8
135.08070	1.5
135.11690	0.9
137.05974	1.3
141.05415	1.7
143.10678	3.5
144.10997	1.8
145.04948	4.2
147.02921	1.8
147.04385	2.7
149.02391	1.0
151.03870	2.7
151.11179	2.5
153.01761	1.3
153.12737	3.1
159.02905	1.1
161.06026	1.4
161.09564	0.9
163.03951	1.3
165.05482	1.8
169.05000	7.4
171.02911	4.4
173.04408	1.3
181.05013	1.2
182.15338	1.3
187.06044	5.5
189.02420	1.1
189.03975	11.8
193.04866	1.1
195.02890	1.0
207.06680	0.9
212.16493	5.0
213.03973	11.8
213.16788	6.0
213.18480	1.4
217.05054	1.6
226.11554	1.2
230.17487	3.1
231.04984	12.0
231.17702	4.4
233.06421	1.3
235.06039	2.7
253.07031	1.7
255.05048	2.9
257.18939	0.8
273.06079	10.1
302.04254	1.6
315.07019	1.1
317.06631	6.1
339.06995	2.7
443.08344	1.3
461.09232	19.4
478.22540	1.6
479.10342	1.5
479.23059	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	479.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.01865	4.3
55.05518	4.8
55.23189	1.4
57.03437	5.0
61.02922	2.4
62.77867	1.6
66.47992	1.4
67.05493	8.5
68.99798	6.1
69.03429	41.2
69.03810	2.2
69.58449	1.6
69.85187	4.2
69.85616	5.9
71.04989	10.8
79.05502	3.3
81.03419	41.5
81.07066	8.2
83.04977	8.9
85.02905	54.3
87.00821	13.6
91.05496	5.5
93.07053	3.3
94.07372	1.5
95.04980	6.0
95.08614	5.1
97.02911	12.5
98.21484	1.9
99.04462	15.3
101.02423	2.3
103.03917	3.2
104.17368	1.4
105.01868	4.5
105.07034	5.2
107.05016	1.5
107.08561	3.3
108.08898	1.4
109.02877	36.8
109.10173	5.5
111.04464	6.7
117.07005	1.9
119.08593	3.6
121.02877	1.7
121.10165	2.9
123.04433	2.9
123.11720	1.8
123.63306	1.7
127.03916	100.0
129.01860	3.1
133.10141	3.3
135.04420	2.3
135.11725	1.6
137.05978	1.8
137.09610	2.4
145.05008	4.6
145.10161	2.0
146.99731	1.9
147.02870	1.8
147.04469	1.9
151.03917	1.8
151.07541	18.6
152.07899	7.4
153.01904	1.6
157.04985	1.6
163.03926	2.2
165.09084	10.3
166.09486	5.3
167.07022	1.5
169.04997	5.8
171.02919	3.6
173.13280	1.9
175.11232	1.9
181.04955	1.6
187.06012	3.9
187.98776	1.6
189.03934	9.5
213.03943	12.2
231.04955	11.2
273.06003	9.3
315.07181	2.2
317.06699	7.5
339.07193	3.1
357.08096	1.6
417.10461	2.0
461.09302	26.1
461.28781	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47674	1.0
62.06078	2.0
70.31614	3.0
70.32002	2.1
70.38980	1.1
71.24419	1.1
75.49540	0.9
76.60229	1.2
78.10813	1.2
94.93004	22.4
101.68081	1.1
112.89591	4.6
114.89339	2.7
118.08632	3.7
128.09438	1.2
129.13057	1.1
131.71834	1.0
136.94023	68.8
148.94028	21.5
156.04218	10.1
166.95073	33.6
172.95227	3.4
178.95107	1.7
190.96355	1.8
196.96223	9.6
198.06058	1.3
202.89101	37.9
202.90921	2.3
203.89526	1.2
204.88947	1.9
206.88649	3.2
212.85201	4.3
214.96280	3.0
214.99811	3.0
216.07130	1.8
218.79468	1.1
226.96283	1.4
238.97211	1.7
245.05133	3.1
246.10332	1.5
246.87894	1.1
248.89645	14.7
256.90582	2.1
256.98303	20.4
257.00848	1.2
258.85730	2.1
284.83664	14.3
298.98819	1.6
302.84726	2.2
306.90143	10.0
316.99658	1.8
344.85809	27.1
381.07935	100.0
392.87222	1.5
419.03497	71.2
479.04675	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	478.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73573	2.8
55.05524	16.2
56.94016	2.9
57.07054	4.7
67.05499	10.6
69.07056	11.6
69.26315	25.0
69.26725	7.0
79.05469	7.6
81.07046	16.5
83.04975	11.3
83.08601	7.6
84.32309	2.6
91.05464	14.6
93.07038	16.4
95.04964	4.0
95.08052	4.6
95.08604	59.4
105.07018	33.5
107.08607	22.1
109.10156	12.4
113.05998	2.6
113.61489	2.4
117.07011	7.4
119.08582	100.0
121.10127	19.8
123.11695	9.5
131.08553	15.9
133.10141	56.8
135.11658	8.2
143.08521	8.5
144.09305	2.9
145.10143	24.4
147.11696	20.4
149.13258	3.7
156.09341	3.9
157.10104	19.2
159.11687	45.4
160.12439	4.4
161.13245	23.6
171.11674	23.8
172.12527	3.2
173.13261	32.5
183.11699	3.3
185.13261	25.0
186.14211	2.6
187.14819	32.7
189.12788	3.4
189.16351	16.2
193.12219	4.3
195.04950	2.5
199.14764	18.3
201.16380	34.9
213.16389	6.7
231.13763	5.4
239.17711	3.5
241.19461	21.2
255.21074	43.9
265.19473	8.3
283.20523	29.8
295.94308	2.7
301.21616	99.6
337.27628	3.0
351.77832	2.7
479.26508	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	478.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.05515	4.9
57.05503	0.3
57.07069	0.4
62.06071	1.0
67.05171	0.5
67.05505	6.0
69.07066	5.8
69.10284	0.3
70.06595	0.4
70.62049	1.0
72.04502	0.3
76.29036	0.3
79.05498	1.9
81.07050	4.8
81.13898	0.3
83.08647	1.6
84.08131	0.4
85.05288	1.9
86.06042	0.7
87.86324	0.3
91.05458	0.6
93.07047	0.9
95.08604	3.4
97.10157	0.7
98.06055	10.3
98.31773	0.3
98.98455	0.6
99.94330	0.3
105.07021	0.4
107.08620	0.8
109.10162	1.2
112.07605	0.9
118.55099	0.3
119.08587	0.4
121.10117	0.8
125.08351	0.4
126.09124	0.4
133.10155	0.3
135.22104	0.3
138.80228	0.3
140.10715	0.6
152.10681	0.4
157.95518	0.3
168.13887	0.4
180.13744	0.4
196.16977	0.4
224.20163	0.4
240.60501	0.3
306.27908	100.0
307.28226	2.7
324.29135	0.5
431.11368	0.4
449.45151	0.3
457.65689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05504	7.6
55.25808	1.8
57.03427	4.2
57.07059	2.6
58.25096	2.0
62.06089	35.2
67.05506	24.3
69.07066	11.5
70.20398	2.6
70.20701	9.4
77.88074	1.8
79.05493	8.0
81.07056	27.0
83.08600	5.4
84.80643	1.7
90.00995	1.7
91.05468	5.6
93.07040	9.5
95.08612	20.5
97.10179	2.4
98.21416	2.1
98.98463	7.7
105.07015	2.4
107.08575	5.6
109.10164	8.0
115.12009	1.9
119.08658	1.8
121.10149	4.5
123.11691	2.0
133.10149	3.3
135.11708	2.3
147.11642	2.1
155.01059	6.9
198.05338	1.9
216.06351	2.6
263.23587	9.7
306.27863	10.9
337.27371	100.0
460.28052	9.0
478.29263	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	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.01849	0.5
55.05518	8.4
57.03443	4.8
57.07061	1.2
65.03938	0.7
66.12982	0.5
67.05170	1.1
67.05506	16.6
67.05870	0.8
69.06732	0.6
69.07073	10.1
69.99197	3.3
70.26347	0.6
71.26774	0.5
79.05489	4.7
81.07057	17.6
83.08619	5.4
86.78172	0.5
91.05493	3.0
93.07042	4.8
95.08604	12.1
97.06521	1.0
97.10175	1.9
98.06091	0.9
98.76687	0.6
105.07037	1.6
107.08578	2.3
109.10172	4.6
111.08038	0.8
111.11716	0.7
113.81953	0.6
119.08580	1.4
121.10142	1.7
123.11720	2.2
131.64359	0.5
131.92738	0.6
133.10144	1.6
135.11719	0.9
137.13274	0.9
147.11664	0.9
149.13226	0.6
149.98729	0.6
161.13287	1.3
170.99629	0.6
177.95438	0.6
201.36174	0.5
233.96764	0.5
267.25021	0.6
306.27921	10.1
337.27365	100.0
338.27786	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	478.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
53.41518	2.2
55.01863	9.9
55.05520	14.9
57.03425	4.8
57.07082	19.3
61.02909	5.9
67.05492	4.9
69.03082	3.0
69.03429	38.8
69.07076	77.3
69.55735	17.5
71.04981	6.4
73.02921	4.2
79.05487	6.0
81.03425	25.8
81.07062	15.3
83.08608	8.3
85.02913	100.0
85.06540	9.7
87.00832	38.2
93.07043	8.7
95.08637	13.3
96.09058	2.2
97.02904	35.5
97.06535	9.7
97.10162	13.3
99.04465	14.7
99.08108	2.5
99.11734	6.1
100.36369	2.5
105.01195	4.5
105.01882	70.0
107.08582	9.0
109.02881	49.2
109.10155	8.5
111.08135	6.4
111.11732	25.1
117.01786	2.9
121.10174	21.0
123.08085	2.8
125.09640	11.8
127.03930	73.6
135.11699	8.1
137.05907	2.4
137.13255	8.6
138.96356	2.4
139.11186	35.6
145.04980	24.7
159.02864	10.6
168.74631	2.7
177.16403	47.2
180.09132	3.4
195.17462	70.7
198.11288	5.5
199.11632	6.7
212.10712	2.9
213.04004	11.3
213.18515	64.2
216.12299	5.7
217.12543	4.4
218.12762	2.8
231.05032	27.7
234.43649	2.8
244.00162	2.5
249.06149	4.8
308.10019	2.6
386.75372	2.9
443.22638	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	478.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45707	2.2
53.03939	7.0
53.75772	1.9
55.01876	6.7
55.05511	13.5
57.03429	9.1
57.07076	14.5
57.99095	2.2
58.72987	1.9
61.02919	7.2
67.05486	3.4
67.97748	2.1
68.99786	2.8
69.03091	2.5
69.03433	39.7
69.07069	89.3
69.39093	23.9
71.04981	5.2
73.02914	4.6
79.05474	2.6
81.03424	24.9
81.07063	13.1
83.05000	4.3
83.08631	6.1
85.02907	100.0
85.06526	12.6
86.06053	3.2
86.31497	2.4
87.00829	39.9
91.05442	4.1
93.07045	6.8
95.08617	18.1
97.02896	42.6
97.06538	11.7
97.10197	12.7
99.04465	16.1
99.08137	2.4
99.11719	7.7
105.01184	4.9
105.01867	80.4
105.02577	4.5
107.08575	16.5
109.02885	47.9
109.10136	6.4
111.08095	6.9
111.11724	31.6
119.08579	3.3
121.10114	17.6
123.08020	3.9
125.09632	9.6
127.03919	94.8
135.11694	9.1
137.13261	8.3
139.11180	39.5
141.74211	2.2
145.04965	33.6
147.02853	2.2
149.13202	3.0
159.02888	13.0
177.16382	50.5
189.03979	3.2
195.13795	3.3
195.17448	85.6
198.11198	5.8
199.11685	4.2
200.11682	3.0
213.03926	20.3
213.18494	78.3
216.12309	2.9
218.12755	2.4
231.04999	36.6
249.06050	9.0
251.04422	2.4
254.21022	2.7
270.17862	4.6
297.99457	2.6
308.10468	3.3
392.70856	2.7
443.22797	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	478.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
55.01862	7.7
55.05495	4.2
57.03418	7.8
57.09166	2.2
61.02916	5.7
67.05493	3.3
67.69382	2.0
68.99760	3.9
69.03426	34.3
69.07053	5.2
69.43360	12.9
69.43768	4.6
71.04994	5.7
73.02916	8.3
73.52254	2.0
79.05475	7.7
81.03419	32.5
81.07042	9.4
85.02902	96.7
87.00831	34.2
91.03950	2.8
91.05475	7.6
93.07047	36.4
95.04967	3.7
95.08604	21.0
97.02884	47.2
97.06495	3.2
99.04449	15.6
105.01182	4.1
105.01862	72.6
105.03353	11.0
105.07043	6.3
107.04957	3.6
107.08591	25.3
108.93669	2.0
109.02870	43.2
109.06502	2.7
109.10149	41.9
110.21443	2.1
111.08142	2.0
115.03951	2.5
117.01868	2.3
119.08527	4.8
119.37558	2.2
121.02836	2.4
121.06516	1.9
121.10140	4.2
125.13234	2.1
127.03912	85.5
127.17759	2.0
129.01860	2.2
133.06476	2.2
133.10129	3.7
134.10468	2.4
135.11685	61.9
145.04959	38.2
147.02884	3.6
147.04472	2.7
147.11670	2.3
153.12737	100.0
159.02895	18.6
160.77263	2.0
161.09622	3.2
163.03865	3.9
167.07068	3.7
180.06067	2.1
189.03979	2.8
195.13861	6.2
213.03958	11.1
225.11137	3.9
231.04977	36.2
245.12659	1.9
246.69231	1.8
249.05875	13.4
317.06424	2.2
383.16919	11.1
386.24249	2.7
460.28052	3.6
478.28992	3.3
478.39844	5.7
492.25543	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.8
55.01852	7.9
55.05501	13.7
58.06590	6.0
60.04516	20.0
61.02935	5.9
66.82759	5.2
67.05504	19.7
68.05828	5.6
68.99805	4.6
69.03432	48.2
69.07069	14.6
69.24447	4.4
69.25256	4.1
70.06601	24.0
70.64376	4.1
70.64704	14.1
71.04984	22.4
73.02918	8.6
74.99966	4.0
78.98312	4.6
79.05495	15.6
81.03423	41.4
81.07063	41.9
82.06548	6.7
83.04983	9.1
83.08649	6.8
84.08142	8.5
85.02905	64.1
86.06088	4.7
86.09706	7.5
87.00816	11.7
88.07642	28.1
91.05478	19.9
93.07030	26.5
94.64397	5.2
95.04960	12.3
95.08598	20.6
96.08131	7.4
97.02905	34.1
97.06509	11.9
98.09686	9.1
99.04440	19.4
105.01812	10.0
105.03389	4.8
105.07034	18.9
106.07386	9.6
107.08595	38.2
108.08102	29.2
108.08876	11.6
109.02866	47.7
109.06518	11.6
109.10153	27.5
111.04450	11.9
111.08153	6.2
117.69849	4.4
118.56659	4.5
119.08545	27.8
120.08117	8.5
120.08935	7.3
121.06508	9.7
121.10143	21.9
122.09679	8.2
123.08020	9.8
123.11680	8.5
124.11177	5.7
125.05998	5.8
125.09654	31.3
127.02983	6.8
127.03915	100.0
127.42661	4.3
129.01807	5.9
131.08571	8.3
133.06485	13.2
133.10143	23.5
134.06799	5.7
135.08078	11.7
135.11739	22.9
137.05983	6.9
137.09622	9.2
138.97139	4.6
143.10678	34.1
145.04921	8.5
147.04404	12.9
147.08066	5.7
147.11674	7.3
149.09622	10.9
151.11172	16.4
153.12793	31.5
157.10043	5.6
159.11745	8.3
163.03857	14.3
164.11403	6.4
165.09190	10.3
167.07088	6.2
169.12259	6.6
171.11635	6.6
173.09557	4.9
177.05507	6.7
179.10809	6.7
182.15450	8.0
189.04007	6.6
192.07245	5.7
194.15369	9.7
195.13766	15.7
207.10216	10.1
212.16458	78.3
225.11179	28.8
226.11670	16.9
230.17525	56.5
231.04953	8.9
260.04703	5.2
273.06015	7.8
298.18832	14.2
316.19839	27.6
317.06635	13.7
351.65994	5.6
359.12820	5.4
460.22107	7.8
461.09210	6.2
478.22772	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52884	4.5
55.01884	4.9
55.05513	5.3
57.03435	8.3
60.04515	5.4
62.49918	5.3
65.34927	5.2
69.03442	9.5
69.07032	5.6
70.06592	15.1
71.04989	22.4
71.59301	6.8
75.08168	4.8
79.05495	15.1
81.03418	8.7
81.07066	50.1
83.04984	8.2
85.02905	53.2
86.09682	6.3
91.05468	13.0
93.07042	13.1
95.04978	5.8
97.02886	18.5
105.07066	7.1
107.08610	17.4
109.02879	9.9
109.10157	6.9
117.03375	5.5
121.02868	10.6
121.10172	7.2
127.03938	30.8
129.05450	6.7
131.04980	5.4
134.99594	5.3
135.04385	8.7
137.05943	9.1
142.36331	4.6
143.45322	5.0
149.09648	8.4
151.11229	7.2
153.05510	7.4
158.22430	4.2
161.05968	9.3
162.06818	8.4
163.03915	36.2
169.12239	100.0
177.09116	4.8
177.16481	4.8
187.13245	8.5
303.05075	6.4
311.56140	8.8
385.69958	5.9
478.16522	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	478.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01859	4.2
57.03432	2.8
57.05836	0.9
60.04523	1.4
61.02920	2.5
68.32155	1.2
68.99790	1.5
69.03430	13.8
69.52949	1.0
70.77264	3.1
71.04987	2.3
73.02917	2.0
76.03988	1.7
76.07626	1.1
79.05482	1.5
81.03424	13.3
82.47840	1.0
84.46906	1.1
85.02906	33.7
87.00838	12.1
90.71104	0.9
91.05473	2.8
93.54974	1.0
95.04971	2.7
97.02893	11.6
98.06020	1.1
99.04440	5.1
103.05454	2.3
105.01865	10.2
105.07046	2.9
107.04957	23.7
108.04461	3.1
108.34297	1.0
109.02880	12.9
111.04433	1.5
115.03928	1.7
117.01849	1.4
121.06470	1.6
123.24429	1.2
126.05517	1.9
126.16470	1.2
127.03913	17.8
131.04947	1.7
133.04962	1.3
135.08034	7.1
137.06039	1.4
145.04964	6.6
148.07585	1.7
159.02838	5.6
163.06145	1.0
163.07545	22.3
167.07048	55.8
169.33307	1.0
173.36363	1.0
180.07843	1.4
181.08603	2.8
195.10181	18.0
197.66608	0.9
213.11218	100.0
230.06487	1.8
231.05003	3.2
237.11226	2.0
237.46404	1.3
248.07683	2.8
255.12329	2.2
279.12286	1.3
303.12314	3.8
317.61041	1.1
321.13312	6.8
353.31302	1.2
391.84979	1.2
479.92004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19187	0.2
55.01872	0.4
55.05507	2.6
57.07067	0.6
59.05016	0.2
60.04509	0.7
65.03950	0.3
66.95425	0.2
67.05502	5.1
69.03422	0.6
69.07063	2.1
70.06586	0.3
70.33074	0.2
70.45997	0.2
71.04970	0.6
71.59967	0.4
73.81330	0.2
79.05489	2.6
80.05849	0.3
81.03435	1.3
81.07054	4.7
82.07370	0.2
83.04962	1.6
83.08619	1.5
85.02888	0.6
85.06535	0.5
86.06094	0.2
91.05478	2.5
93.07041	3.5
95.04947	0.9
95.08043	0.4
95.08605	3.9
96.05317	0.2
96.08914	0.4
97.02885	1.1
97.06511	0.8
97.10146	1.0
99.04433	0.4
99.08079	0.4
105.07037	2.3
106.07345	0.3
107.04955	0.8
107.08587	3.0
107.25169	0.2
108.08937	0.4
109.02852	1.5
109.06497	1.3
109.10152	7.0
110.06030	0.9
110.10463	0.3
111.04438	0.9
111.08061	0.6
117.07006	0.8
119.08575	5.5
120.08950	0.5
121.06478	0.6
121.10159	1.8
122.07275	1.4
123.08054	0.8
123.11716	1.0
125.05962	0.2
125.09620	0.4
125.28669	0.2
127.03928	2.6
128.06239	0.3
129.06975	0.5
131.08560	0.8
133.06480	0.8
133.10130	2.0
135.08037	1.0
135.11644	1.2
137.09607	10.5
137.13161	0.3
143.08534	0.5
145.06464	0.4
145.10121	0.9
146.10464	0.3
147.08055	1.2
147.11662	0.9
149.06020	0.3
149.09593	0.5
149.13254	2.1
153.09071	0.6
157.10103	0.6
159.08104	0.2
159.11647	1.1
161.09639	1.1
161.13234	0.3
163.03932	0.3
163.11147	0.6
163.14766	0.2
165.09105	100.0
166.09435	1.7
167.14371	0.3
169.10060	0.4
171.08321	0.3
171.11754	0.5
173.13232	0.5
175.11163	0.4
179.10669	1.0
181.12366	0.3
183.11664	0.3
184.16943	0.6
185.13174	0.4
187.11153	0.4
189.09145	0.6
191.10657	0.3
197.13297	0.3
197.19016	0.7
207.10175	1.4
209.08067	0.3
209.19069	0.3
225.11180	3.4
227.12764	0.6
266.21164	0.9
269.19128	0.4
273.18387	0.3
279.26904	1.0
294.20572	1.1
297.18399	0.5
300.20267	0.5
305.26611	0.4
315.19638	1.4
318.21405	0.6
358.23727	0.6
359.24115	2.4
377.25214	0.8
385.23523	0.7
399.30371	0.2
403.24319	0.3
459.26923	0.8
477.22693	0.6
477.28030	2.9
477.36569	2.3
486.67783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.5
55.01879	12.9
55.05265	4.2
55.05510	59.5
56.96564	2.3
57.03439	15.7
57.07072	3.3
58.74346	2.4
59.05009	3.4
62.63906	2.4
65.03939	7.5
67.05505	76.5
69.03431	26.0
69.07065	18.5
71.03262	2.8
71.04984	7.4
71.58009	3.4
73.02929	3.7
74.91351	2.7
77.03976	2.2
79.05063	3.8
79.05498	73.1
81.02977	5.0
81.03421	57.1
81.07056	70.7
81.37381	2.4
83.04981	20.7
83.08616	33.0
84.96069	2.9
85.02907	8.6
85.06554	5.6
85.07671	59.5
91.05482	74.8
92.05839	3.0
93.07050	60.4
95.04982	33.4
95.08615	46.9
97.02901	23.6
97.06549	14.0
97.10177	40.4
99.04455	8.2
103.05476	4.6
105.07034	70.5
107.04951	27.9
107.08604	62.3
108.08929	2.9
109.02881	29.9
109.06538	16.2
109.10154	47.3
110.10557	2.8
111.04433	9.0
111.08074	13.7
113.06008	2.6
115.03919	4.1
115.05452	3.8
117.07011	23.3
119.04929	4.1
119.08591	72.5
119.46925	2.8
120.08974	3.7
121.06519	34.0
121.10127	28.8
123.04415	5.3
123.08066	13.6
123.11708	11.6
125.05942	2.5
125.09634	36.5
127.03928	44.4
128.04243	5.1
128.06215	3.0
129.07002	26.0
130.07855	3.9
131.04922	6.4
131.08569	25.6
133.06500	18.5
133.10139	52.6
135.04382	3.0
135.08069	23.4
135.11658	12.3
137.02477	3.4
137.06010	3.8
137.09583	7.0
141.07005	4.9
142.07835	3.4
143.08572	18.9
145.04971	5.1
145.06485	24.0
145.10167	16.6
147.04375	4.4
147.08054	29.0
147.11678	13.3
149.09628	10.1
151.07549	3.7
151.11197	5.7
153.01822	3.7
153.09120	7.6
155.08537	10.1
157.06487	4.9
157.10133	18.2
158.54028	2.5
159.08049	9.0
159.11670	13.8
161.05983	3.3
161.09619	26.0
163.03922	3.2
163.11169	15.1
165.09146	23.1
167.08583	4.5
169.10135	5.4
171.08008	5.6
171.10364	3.0
171.11665	15.9
173.09612	7.5
173.13217	3.6
175.07536	2.9
175.11163	10.1
177.05458	3.1
177.12769	4.2
179.10760	12.9
181.10115	3.8
183.11705	3.6
185.09631	4.4
185.13284	4.5
187.11172	8.7
187.13269	3.7
187.14857	4.6
189.09366	15.9
189.11133	19.9
189.12677	6.3
191.03410	4.6
191.10748	3.4
193.12230	26.5
195.11768	5.2
197.13255	7.8
199.11227	11.9
199.14798	4.1
205.12158	4.2
206.72668	3.0
207.10173	21.1
209.05978	3.0
209.08014	3.8
209.13295	4.0
211.11392	5.0
211.13356	9.0
213.12708	3.9
215.14381	6.8
217.12338	6.5
219.13792	5.2
225.11214	63.2
225.13351	3.8
226.11615	4.6
227.12741	16.9
227.28349	2.8
233.13484	2.6
233.15379	15.7
235.13306	4.2
237.12672	3.9
243.15927	3.2
249.14853	5.0
255.13730	4.5
255.17558	2.9
259.13361	3.8
267.15900	38.3
269.19171	5.2
273.03949	28.6
273.14832	10.3
273.18445	5.6
287.05441	3.1
287.20148	2.7
291.15887	10.2
297.18396	12.2
305.26715	5.0
315.19516	26.2
333.20508	5.1
339.23114	6.2
349.21680	15.2
357.24265	3.3
367.22739	40.6
370.00626	2.7
385.23758	70.1
386.24423	4.5
403.24857	19.7
433.25735	6.2
441.26382	9.2
459.27524	100.0
460.27319	4.6
477.28818	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
53.77218	2.7
55.01871	16.8
55.05267	4.2
55.05511	57.4
57.03438	18.2
59.04984	2.9
65.03940	4.2
65.87307	2.9
67.05182	2.9
67.05511	55.7
69.03448	13.4
69.07076	21.5
69.45872	24.7
71.04977	9.2
73.02887	2.9
79.05492	68.9
81.03416	73.5
81.07057	54.1
83.04965	12.8
83.08622	42.0
85.02896	10.3
85.06535	3.5
91.05482	52.4
93.07047	45.0
95.04971	36.2
95.08603	35.3
97.02888	8.4
97.06521	8.4
97.10172	46.8
98.21501	6.2
99.04469	3.7
99.08070	3.9
105.07033	57.8
107.02616	2.4
107.04266	4.7
107.04947	35.0
107.08590	49.7
109.02875	18.5
109.06527	17.9
109.10159	29.5
110.03211	4.6
111.04417	7.2
111.08070	8.0
112.11542	2.7
113.06010	2.8
115.05449	7.0
117.07041	19.4
119.08571	54.5
121.06502	29.1
121.10117	16.5
123.04445	3.8
123.08057	12.8
123.11696	9.4
125.05975	3.9
125.09633	40.1
127.03928	26.2
128.04285	4.4
128.06206	4.3
129.07028	22.6
131.04913	4.8
131.08582	30.9
132.65959	2.6
133.06491	19.2
133.10124	29.7
135.08029	20.0
135.11694	5.3
137.09644	6.9
138.70898	2.8
141.06972	6.3
142.07761	8.7
143.08595	14.3
145.05011	2.7
145.06461	20.5
145.10130	16.7
147.08057	18.2
147.11708	14.9
149.09593	9.5
151.11148	5.4
153.09111	7.6
153.12682	3.3
155.08594	5.3
156.09341	2.8
157.10153	17.2
159.08049	6.5
159.11624	9.1
161.09601	14.5
163.11150	9.7
165.09132	12.4
165.12848	3.4
166.09425	2.7
169.10138	8.0
171.11676	11.3
173.09578	4.8
173.13206	4.6
175.11180	13.0
179.10684	8.0
181.10098	4.4
185.09538	7.3
185.13217	6.6
185.94724	2.7
187.11258	9.4
187.14825	3.6
189.09132	9.2
189.11224	15.4
189.12701	6.9
191.10562	2.9
193.12271	35.6
197.13289	6.4
199.11197	8.6
199.14914	3.7
205.12239	3.5
207.10164	18.7
211.11238	5.0
211.13196	21.6
215.14323	4.8
217.12221	6.3
225.11159	32.5
227.12694	18.6
231.13745	5.2
233.15475	15.0
237.12808	4.4
241.14310	4.9
245.15312	4.0
249.14865	4.9
255.17429	4.5
259.13330	4.1
261.83508	2.7
261.86584	2.9
267.15891	39.4
269.19064	5.2
273.14917	14.4
291.15878	6.0
297.18661	5.5
315.19537	16.7
331.20953	3.6
339.23053	8.8
341.21051	3.5
349.21704	14.5
357.24274	6.8
367.22714	49.2
385.23734	76.5
403.24710	22.2
433.25528	8.3
441.26224	7.5
459.27454	100.0
459.33865	5.3
460.27606	5.1
477.22409	4.6
477.28601	90.6
478.29385	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	477.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	9.9
55.05516	64.1
57.03445	11.9
58.03824	3.7
65.03949	3.7
67.05508	66.7
69.03442	19.9
69.06763	3.6
69.07078	19.6
73.47431	3.9
79.05499	71.8
81.03422	47.3
81.07059	49.7
83.04996	8.6
83.08633	36.1
85.02937	7.1
85.06556	4.6
85.54336	3.9
91.05485	42.6
93.07062	45.2
95.04970	30.6
95.08622	33.7
97.02916	12.5
97.06554	8.5
97.10181	46.0
97.10700	4.9
105.03339	4.4
105.07038	50.8
107.04958	41.4
107.08591	54.4
109.02913	15.7
109.06547	22.0
109.10159	42.2
111.08114	9.8
115.05497	5.2
117.07027	18.5
119.05028	4.3
119.08592	55.4
121.06531	31.6
121.10183	16.8
123.08105	12.9
123.11749	4.7
125.09630	42.8
127.03946	17.1
128.06221	4.1
129.07053	18.3
131.08525	18.8
133.06541	14.6
133.10121	36.1
135.08073	28.0
135.11682	7.3
137.06001	6.2
143.08620	13.4
145.06506	21.4
145.10193	13.1
147.08067	24.6
147.11729	13.0
149.09673	13.1
153.09172	7.9
155.08609	9.0
157.10178	21.4
159.08223	6.3
159.11746	8.7
161.06064	4.3
161.09599	25.1
163.11214	9.6
165.09183	21.8
167.08646	4.5
169.10074	7.5
171.08075	5.3
171.11751	12.0
173.09708	6.8
175.11143	10.7
179.10747	20.2
185.09673	4.8
185.13272	4.8
187.11237	4.3
187.14949	4.5
189.09171	15.3
189.11267	27.7
193.12209	20.0
195.11778	5.5
197.09657	5.3
197.13463	4.4
199.11203	10.6
205.12347	4.1
207.10162	29.1
213.12791	5.8
215.14464	7.8
217.12352	6.6
223.13336	4.1
225.11215	72.1
227.12640	21.2
229.66089	4.3
231.13849	4.5
233.15462	17.8
241.14415	7.8
255.13724	5.3
267.15866	30.5
273.14911	17.4
289.18115	4.5
297.18506	11.6
301.49741	4.5
315.19427	22.6
320.86630	4.1
332.13708	4.7
339.23187	7.5
349.21729	13.7
357.24341	8.0
367.22772	55.7
385.23746	98.6
403.24866	27.8
433.26059	10.1
441.26563	7.4
452.10922	4.2
459.27515	100.0
477.28549	71.8
477.34671	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.8
55.01876	15.0
55.05511	62.2
57.03419	7.1
59.05016	3.3
65.03934	3.9
67.05503	52.5
69.03423	22.4
69.07069	15.2
70.97626	8.6
71.04995	5.7
71.95052	2.9
73.02927	3.8
79.05492	64.4
81.03411	28.4
81.07056	55.1
83.04964	12.7
83.08619	25.4
83.69946	2.6
91.05486	41.6
93.07042	43.1
95.04977	22.2
95.08607	44.0
97.02918	15.1
97.06519	11.8
97.10176	47.6
103.05470	4.0
105.06390	3.8
105.07033	51.6
107.04960	36.3
107.08600	49.0
108.75055	2.7
109.02898	21.3
109.06517	17.6
109.10151	38.4
111.04439	9.2
111.08070	8.2
117.07013	21.3
117.07715	3.2
119.08579	55.9
119.55872	2.7
121.06510	32.6
121.10114	18.0
123.04372	3.1
123.08050	13.9
123.11709	9.0
125.05944	2.9
125.09646	34.7
127.03911	33.7
128.06244	3.7
129.07062	13.8
131.04941	4.7
131.08562	23.4
133.06499	28.0
133.10136	42.3
135.08041	24.2
135.11668	7.6
137.09633	6.6
141.07039	4.5
143.08592	16.0
145.04915	3.2
145.05461	3.2
145.06477	23.5
145.10147	23.0
147.04408	7.6
147.08057	28.6
147.11684	12.6
149.06021	3.8
149.09666	10.8
151.11218	4.1
153.09125	9.2
153.12701	4.8
155.08510	6.3
156.09305	3.2
157.06482	7.0
157.10172	16.7
159.08115	6.7
159.11696	14.3
161.05966	3.2
161.09618	19.2
161.13293	3.4
163.07552	4.2
163.11172	8.6
165.09091	22.0
169.10094	9.5
171.08034	7.6
171.10304	4.1
171.11708	9.1
173.09572	6.4
173.13266	5.3
175.11191	10.7
177.12784	3.2
179.08507	3.0
179.10683	16.9
181.10146	4.4
183.11696	5.4
185.09612	8.9
187.11195	11.6
187.14767	4.8
189.09138	12.9
189.11226	24.6
189.12730	6.7
191.10506	3.7
193.10664	2.6
193.12178	17.1
197.13257	4.5
199.11227	6.9
199.14883	4.4
201.12833	4.7
203.14207	4.2
205.12263	5.0
207.10196	19.9
209.13344	4.1
211.13210	6.5
213.12729	8.4
215.14293	5.1
217.12260	9.2
219.13919	3.7
223.11287	5.0
223.13222	5.6
225.11172	49.6
225.13039	5.8
227.12770	10.9
233.15343	11.5
241.12155	5.3
245.15376	7.0
255.17554	4.3
259.13202	5.3
267.15921	9.8
269.19016	5.3
271.16895	3.0
273.14908	17.0
273.18484	2.9
279.17395	4.8
281.15518	4.0
287.16525	6.3
287.19989	4.6
291.15967	7.0
297.18521	16.5
315.19495	23.6
333.20468	4.5
339.23126	6.8
349.21573	15.4
357.24213	7.1
367.22675	60.5
385.23776	100.0
403.24835	32.3
440.87131	2.8
441.26761	7.4
459.27505	86.0
460.27646	2.9
477.28735	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
54.10286	1.8
55.01874	14.9
55.05510	58.6
57.03431	10.3
59.04958	2.7
65.03922	2.6
67.05170	4.2
67.05504	52.8
69.03426	19.1
69.07071	17.4
69.29532	20.8
69.29946	5.2
71.04979	6.2
73.02908	3.1
79.05491	59.0
81.02989	2.4
81.03426	35.7
81.07055	51.5
82.04246	2.1
83.04996	10.7
83.08616	29.6
85.02897	5.3
91.05477	46.1
93.03391	3.2
93.07043	43.1
95.04964	26.7
95.08608	31.6
96.08878	2.0
97.02873	8.7
97.06525	13.9
97.10175	45.4
98.21542	4.8
99.04448	5.2
99.08114	2.5
105.07027	42.3
107.04958	37.0
107.08594	51.4
108.08895	2.1
109.02894	16.9
109.06514	13.7
109.10157	33.9
110.88365	2.1
111.04426	9.0
111.08077	7.9
113.05986	3.1
115.05467	2.0
117.06992	22.2
118.26862	2.0
119.07780	4.4
119.08582	45.7
121.06506	24.8
121.10137	30.9
123.04478	4.1
123.08070	17.9
123.11681	5.9
125.05993	3.9
125.09627	48.8
127.03925	31.5
128.04271	2.0
128.06232	4.7
129.07011	16.5
130.07768	2.9
131.04927	7.0
131.08563	24.5
133.06488	16.3
133.10127	32.8
135.04443	2.5
135.08029	18.1
135.11685	12.7
137.05969	3.1
137.09631	5.4
139.07471	3.8
141.06979	4.8
142.07764	3.8
143.08545	12.5
145.04915	3.4
145.05450	2.4
145.06488	19.4
145.10138	29.3
147.04393	4.9
147.08014	20.2
147.11644	15.9
149.09634	17.0
149.13301	3.3
151.07552	27.4
151.11171	3.7
153.09119	9.5
153.12743	3.7
155.08585	6.2
155.17210	2.2
156.09306	2.1
157.06485	4.8
157.10129	17.4
159.08076	9.2
159.11671	13.6
161.09615	19.5
161.13295	5.0
163.03915	2.8
163.07489	3.2
163.11176	26.4
165.09116	16.1
165.12735	2.2
167.07141	2.5
167.08521	2.5
169.10132	5.2
171.08083	5.2
171.11691	10.2
173.09589	7.7
173.13258	6.2
175.11118	10.4
177.12744	4.3
179.08505	2.2
179.10683	5.6
181.10092	4.3
183.08012	2.9
183.11731	2.7
185.09657	4.4
185.13258	7.2
186.53105	2.1
187.11165	7.0
187.14787	4.4
189.09151	7.9
189.11205	18.5
189.12834	5.7
191.10654	35.2
193.12213	16.9
195.11652	5.3
197.09608	3.8
197.13310	6.1
199.11171	11.0
199.14821	2.5
201.12766	3.5
205.12219	6.6
207.10089	11.2
209.11703	5.2
209.13411	2.6
211.13240	5.7
211.14995	3.3
213.12701	7.7
215.10629	2.8
215.14290	7.7
217.12312	5.3
223.11301	3.6
223.13223	3.9
225.11154	32.1
227.12677	19.2
231.13826	3.3
233.15379	14.9
235.13170	4.1
237.12827	4.7
241.14348	6.2
243.13780	3.4
249.14981	2.5
255.14027	2.7
255.17427	2.7
257.15259	2.3
259.13251	3.5
267.15955	18.6
269.19077	5.0
271.17035	2.5
273.14847	16.5
273.18063	3.4
279.17380	3.8
284.07416	2.2
287.05496	3.7
287.19846	3.3
291.15918	5.6
297.18454	13.3
315.19580	32.9
333.20569	6.2
339.23105	6.5
349.21570	20.3
353.15948	4.6
357.24228	9.0
365.23419	2.5
367.18329	4.0
367.22696	59.3
368.22964	3.3
385.23721	100.0
403.24799	28.3
405.22903	5.3
433.25729	2.8
441.26453	7.1
452.49109	2.2
459.27585	93.2
477.23639	11.6
477.28369	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54134	0.4
53.03932	0.6
55.05510	7.6
55.53792	0.5
58.60197	0.5
69.03441	0.9
69.43359	4.8
70.06586	2.1
72.08150	0.5
81.03423	0.7
83.08619	5.7
84.04495	1.0
84.08147	0.5
84.92385	0.5
85.02912	1.6
86.09695	1.5
93.07046	3.2
97.02889	1.1
98.21573	1.0
100.11253	87.3
102.05521	0.7
103.06966	0.5
105.07051	0.6
107.04960	0.7
107.08582	1.1
110.07158	0.5
115.03947	0.9
117.13860	1.5
127.03927	0.9
129.10287	0.6
133.04974	0.8
135.04408	0.7
135.11708	1.5
139.08624	1.6
147.04347	1.1
163.03899	6.0
185.21860	0.6
195.23795	0.5
198.80713	0.5
209.16487	17.9
227.17529	100.0
228.17882	0.8
233.09268	0.8
259.39694	0.5
325.08942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.05505	7.4
57.03434	3.8
57.07069	11.1
57.20949	2.2
61.10189	2.3
62.06083	5.0
65.20039	2.2
66.92172	2.3
67.05511	21.1
68.05846	3.0
69.03429	22.9
69.07057	7.2
69.65533	10.8
69.65941	5.1
79.05484	18.4
81.03407	6.7
81.07055	20.3
85.02892	9.2
91.05478	21.7
93.07039	34.9
95.04966	7.8
95.08613	24.7
97.02909	13.7
97.06496	5.3
100.81877	2.2
105.07037	36.9
107.04950	3.3
107.08598	44.0
109.02863	15.8
109.06512	11.0
109.10160	46.0
111.04444	8.4
111.08078	4.6
115.30819	2.4
117.07014	9.3
119.08585	51.2
121.06499	7.5
121.10152	18.4
122.68599	2.5
123.08081	11.5
123.11702	5.0
125.05956	3.5
127.03873	13.4
130.07761	3.3
131.08566	10.5
133.06490	19.8
133.10147	37.5
135.08055	29.7
135.11702	10.0
137.05972	5.4
137.09608	5.1
143.08571	9.0
145.10155	13.5
147.08034	20.4
147.11694	3.3
149.09610	10.3
151.07556	5.5
151.11203	3.1
152.07854	3.6
157.10130	10.3
159.11710	9.9
161.09575	20.8
161.13234	4.2
163.11163	5.6
165.09146	27.7
169.10194	4.2
171.11702	8.6
173.13266	6.7
179.10683	20.3
181.12213	3.6
183.11688	3.8
185.09605	3.6
185.13226	4.3
187.11185	3.3
187.14758	4.6
189.09114	17.7
195.11641	2.5
197.13257	6.1
199.11211	6.5
199.14812	4.1
203.10765	2.7
205.12204	3.2
207.10170	32.5
221.65369	3.0
225.11212	100.0
225.13367	5.0
227.18016	3.7
237.16483	4.8
241.12495	3.6
243.12256	2.8
251.17949	3.3
269.19006	7.5
273.18463	6.8
279.17392	3.7
287.20038	10.9
297.18481	21.2
315.19547	50.2
323.48355	3.0
328.16205	3.2
333.20627	6.7
336.26215	17.8
430.22998	9.1
461.36453	2.7
477.22818	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	477.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
54.42268	2.4
55.01867	3.4
55.05500	10.0
56.96573	3.5
57.03434	3.8
57.07074	3.4
59.06118	13.1
61.02923	2.7
63.38414	2.2
65.03953	3.5
67.05499	25.0
69.03431	36.4
69.07070	9.8
70.06594	3.9
71.04994	5.1
71.58183	2.9
71.58560	2.6
72.08156	3.5
78.51820	2.3
79.05485	25.6
81.03420	14.0
81.07063	26.4
83.04968	7.5
83.08620	4.3
85.02905	17.6
86.09702	2.7
91.05487	31.9
93.07040	45.9
95.04976	9.6
95.08611	37.9
97.02878	20.7
97.06537	22.4
97.10178	3.8
98.09664	3.6
99.04436	2.7
103.05438	4.2
105.07030	46.1
107.04968	5.1
107.08581	59.0
109.02878	23.5
109.06512	16.0
109.10154	46.2
111.04440	16.1
111.08071	5.8
115.05463	3.9
116.12818	2.7
117.07029	17.3
119.04941	3.9
119.08575	79.1
121.06512	12.2
121.10139	26.1
122.89108	2.5
123.04459	2.7
123.08086	13.6
123.11735	12.7
125.06079	3.0
125.09675	11.4
127.03901	27.0
129.07019	5.5
130.07747	4.3
131.08582	15.8
133.06506	25.5
133.10130	47.9
135.08038	35.5
135.11711	14.1
137.05992	4.9
137.09613	8.7
139.07526	4.8
142.07776	4.1
143.08574	10.9
143.10660	4.4
144.09384	3.1
145.04944	3.7
145.10143	23.8
147.08026	19.8
147.11697	6.9
149.05981	2.7
149.09615	15.2
151.07562	2.8
151.11203	9.4
153.12685	3.6
155.08490	2.4
156.09424	4.9
157.06572	3.9
157.10138	16.7
159.08078	4.6
159.11717	22.8
161.09605	27.8
161.13260	4.9
163.07558	3.8
163.11168	11.5
165.09114	25.2
167.07013	6.9
167.08452	3.5
169.10117	7.5
171.08031	4.3
171.11635	13.6
173.13248	9.9
175.11169	5.3
177.12805	4.4
179.10681	21.2
181.04938	3.8
181.10123	3.4
181.12317	2.6
183.11679	5.4
185.09581	5.5
185.13210	5.9
187.11197	13.7
187.14812	7.6
189.02289	3.1
189.09125	22.1
191.10703	4.6
195.11673	7.5
196.12268	3.5
197.13292	7.8
199.11197	9.8
199.14799	8.9
201.12753	6.6
205.12276	6.3
207.10173	36.8
207.12039	3.7
209.13309	6.1
211.14908	4.6
212.16498	6.7
213.12718	3.4
217.12163	4.4
219.13809	7.6
223.11090	2.9
225.11209	100.0
225.13358	5.4
227.10745	3.4
227.17982	6.5
228.15849	3.5
229.16223	5.9
230.17464	4.5
237.16383	5.1
241.12257	4.4
245.08290	2.7
251.14458	3.4
251.17903	7.2
253.19464	3.5
255.13768	4.2
255.17410	8.4
259.13287	2.7
269.19031	9.6
273.18552	9.7
279.17438	11.5
287.16739	4.6
287.20090	18.0
297.18433	34.3
315.15997	4.2
315.19531	80.8
333.20694	10.6
366.07715	2.7
367.12329	2.9
371.13727	4.4
385.23642	3.0
391.10614	8.9
399.78018	2.4
459.27469	4.2
477.24850	3.2
478.22501	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	477.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01869	4.3
55.05508	8.4
57.03436	4.9
59.05001	1.9
63.14684	1.7
67.05499	26.3
67.91164	1.5
69.03438	15.8
69.07057	7.6
69.61855	3.6
69.62251	11.6
70.59512	1.6
71.04977	4.4
71.08620	1.5
73.02905	4.2
73.06522	1.7
79.05509	17.1
81.03413	14.8
81.07052	24.5
83.04980	4.1
83.08631	4.5
85.02899	4.5
91.05479	22.8
93.07040	32.2
95.04958	10.0
95.08610	27.9
97.02891	19.7
97.06531	5.5
97.10187	2.0
99.04459	7.3
105.07036	31.0
105.07695	1.6
107.04961	4.4
107.08593	33.2
109.02875	25.3
109.06517	11.5
109.09453	3.4
109.10154	47.2
111.04441	7.6
111.08086	4.1
115.50782	1.8
116.16476	1.7
117.07010	6.0
119.08575	60.8
121.06479	8.7
121.10141	13.7
123.04465	1.9
123.08039	14.4
123.11701	7.6
127.03918	46.4
129.07037	3.6
130.07787	1.8
131.08578	10.6
133.06491	10.5
133.10124	43.3
135.08037	13.2
135.11693	4.5
137.06012	3.1
137.09666	4.8
142.07811	3.2
143.08580	8.6
145.04965	5.0
145.10138	10.2
147.08055	28.0
147.11765	3.8
149.09641	6.4
149.13210	1.9
151.07643	1.9
151.11197	5.3
157.10103	7.1
159.11732	7.0
161.09598	28.2
163.11205	6.2
165.09097	30.6
169.10098	1.9
171.08145	2.2
171.11710	7.4
173.09567	1.9
173.13301	5.1
179.10707	20.6
185.09589	4.8
185.13289	1.9
187.11185	6.7
189.09093	22.1
195.11755	2.2
197.13327	2.1
199.11180	3.5
199.14734	2.2
203.10765	2.3
205.12227	2.7
207.10161	35.9
209.13336	2.4
217.12218	2.8
219.13609	2.5
225.11209	100.0
237.12852	1.8
255.17477	2.2
259.13394	2.2
267.12317	3.2
269.19003	6.5
273.18536	2.7
279.17480	1.8
281.10815	2.0
287.20117	2.8
297.13412	2.1
297.18500	13.2
305.26654	15.9
315.19580	31.6
333.13199	2.1
333.20657	2.2
351.14444	5.3
351.25961	2.1
459.23492	5.1
477.28479	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	477.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01869	7.1
55.05507	7.6
57.03448	3.0
62.06088	5.5
67.05527	17.0
69.03431	25.2
69.07063	9.3
70.92613	5.7
70.92964	3.7
71.04990	2.8
71.08620	10.7
72.08155	4.5
72.08971	3.1
75.73137	2.7
79.05487	12.2
81.03407	12.0
81.07063	25.2
81.55193	2.7
83.04995	4.3
83.08589	3.6
83.84343	2.4
84.14339	2.3
85.02915	12.8
85.06552	4.0
86.06066	26.3
86.09704	3.0
86.82259	3.0
87.06390	4.9
91.05474	17.6
93.07045	22.7
95.04951	5.9
95.08606	25.9
97.02911	16.2
97.06525	13.9
98.09652	4.1
99.04447	4.4
99.08097	6.6
101.02385	6.1
105.06387	2.9
105.07029	30.8
107.04922	3.4
107.08604	31.7
109.02893	12.9
109.06544	15.8
109.10147	32.2
110.06828	4.6
111.04475	7.9
111.08067	10.0
112.08453	4.7
116.10728	11.2
117.06990	6.9
117.11060	6.2
119.08600	43.6
121.06524	6.5
121.10175	16.2
123.08072	7.7
123.11738	7.5
125.09653	6.1
127.03937	22.9
129.06981	3.1
130.99435	2.4
131.08531	9.2
132.11337	2.5
133.06519	18.4
133.10141	28.0
135.08046	21.0
135.11684	8.1
137.05986	7.0
137.09581	4.0
138.06299	3.1
142.12402	3.1
143.08614	8.0
143.10678	8.1
144.10933	3.6
145.04938	3.4
145.10112	13.3
147.04443	4.5
147.08025	13.3
147.11690	4.5
149.09633	7.0
152.10698	2.9
155.08612	4.0
157.10159	7.4
159.11684	15.8
161.09602	15.4
161.13249	4.5
163.11179	8.3
165.09134	16.0
169.10109	2.6
170.11800	6.2
171.11804	9.2
173.09584	3.2
173.13191	5.4
175.11212	3.1
175.14841	3.5
179.09322	2.7
179.10599	16.1
183.11647	4.8
185.09584	4.5
185.13257	5.1
187.11186	6.0
188.30673	2.7
189.09081	9.7
191.10696	3.4
197.13336	3.4
198.11256	78.5
199.11607	70.7
199.14583	4.3
201.12831	3.9
207.10143	25.2
209.13411	3.3
216.12323	56.8
217.12659	44.6
219.13773	5.3
225.11230	64.7
227.17894	2.7
231.13629	3.6
255.17421	5.6
269.19073	4.6
273.18533	5.2
279.17651	4.1
287.19943	6.0
297.18494	23.6
314.19614	20.5
315.19778	100.0
331.19360	2.7
333.20459	6.6
360.16541	3.2
361.16788	7.4
379.17892	6.8
477.25101	9.3
500.16702	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.3
55.01873	9.2
55.05517	42.2
57.03438	7.3
65.03938	7.8
67.05508	55.4
69.03427	29.3
69.07059	19.7
70.85803	15.3
71.04971	7.1
72.46833	4.0
73.02927	6.1
79.05499	47.0
81.03426	33.9
81.07062	52.9
83.04964	8.4
83.08610	20.8
85.02885	6.5
85.06538	8.1
91.05486	57.8
93.07052	47.3
95.04975	20.9
95.08609	44.9
97.02894	21.4
97.06538	26.8
97.10165	25.9
99.04452	11.5
99.08128	6.4
103.05453	5.5
105.07027	79.5
107.04982	24.7
107.08598	70.7
109.02863	45.5
109.06525	20.3
109.10164	72.3
111.04430	16.7
111.08064	9.6
115.05439	4.7
117.07010	23.8
119.08586	91.0
121.06496	25.2
121.10138	38.0
123.08089	26.2
123.11681	20.8
125.09627	21.8
127.03927	80.2
128.06201	5.8
129.06999	11.0
131.05006	5.1
131.08577	31.7
133.06505	47.6
133.10124	63.2
134.07135	4.8
135.08060	27.9
135.11670	12.9
137.09583	9.6
141.06937	4.6
143.08559	26.3
145.04932	6.1
145.06474	13.8
145.10147	25.4
147.08060	34.5
147.11778	7.2
149.09576	18.4
151.11096	5.2
153.09084	6.7
155.08603	6.0
156.09265	7.5
157.10107	23.2
159.08017	6.3
159.11696	18.8
161.09625	38.6
161.13255	6.1
163.11186	13.8
165.09065	31.9
167.08578	5.6
169.10135	10.6
170.10741	4.7
171.11684	20.1
173.09610	7.2
173.13251	10.5
175.11153	10.4
175.14766	4.3
179.10696	25.2
181.10121	8.1
183.11766	7.0
185.09677	13.1
185.13277	13.9
187.11174	9.0
189.09145	27.9
189.11229	16.6
189.12729	4.7
191.10654	5.2
195.11702	8.6
197.13310	9.9
199.11147	16.8
199.14868	7.5
201.12762	12.5
205.12218	6.8
207.10095	40.7
209.55283	4.5
213.12717	5.0
215.10732	5.2
217.12337	7.8
219.13783	16.5
225.11206	100.0
227.17862	6.1
233.15390	11.4
237.16393	7.6
241.14197	6.8
241.19624	6.0
251.17889	8.8
255.13741	4.9
255.17400	10.2
269.19052	13.6
273.14963	8.7
273.18530	7.3
279.17395	10.6
287.16489	5.3
287.19992	6.5
297.13327	7.7
297.18509	39.5
315.19531	72.7
333.13248	6.1
333.20798	6.1
349.21527	12.1
351.14505	8.3
367.22668	38.4
385.23761	60.4
403.24689	12.8
459.27966	45.5
477.29315	28.1
478.04358	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	477.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.1
55.05520	22.3
57.03414	5.1
59.04993	5.4
65.03949	3.4
65.29377	3.3
66.70216	3.5
67.05506	41.0
69.03427	27.1
69.07063	16.4
69.46221	35.9
71.04996	8.5
73.02927	5.5
79.05486	20.3
81.03418	29.6
81.07060	41.0
83.04986	21.0
83.08614	15.2
85.02895	13.9
85.06555	7.8
85.12969	3.5
91.05477	35.1
93.07041	35.5
95.04977	9.7
95.08607	52.3
97.02903	24.1
97.06538	27.0
97.10176	6.9
99.04469	10.6
99.08099	4.8
105.07026	50.8
107.04964	3.9
107.08601	55.3
109.02900	43.1
109.06512	12.9
109.10160	74.2
111.04462	21.7
111.08086	7.1
115.03936	4.0
117.06088	4.1
117.07018	9.4
119.08583	78.7
121.06499	11.4
121.10145	32.5
123.08061	15.1
123.11735	21.4
125.09647	13.5
127.03930	82.5
127.11132	6.7
128.04288	6.5
129.06978	4.0
131.08582	15.8
133.06499	30.0
133.10146	57.0
135.08076	19.5
135.11720	16.3
137.09619	11.1
143.08582	20.0
145.04967	10.2
145.06509	4.8
145.10129	23.9
147.08022	29.3
147.11693	8.8
149.09639	7.9
151.11119	9.6
153.12668	4.1
155.08549	4.3
157.10156	19.5
159.08044	7.5
159.11690	22.4
161.09637	38.1
163.07704	4.7
163.11214	12.1
165.09119	34.3
167.14304	5.3
169.10188	6.4
169.12256	13.0
171.11710	16.1
171.13843	4.7
173.13312	14.0
175.14870	9.8
179.10669	25.4
181.10181	6.2
183.11697	4.3
185.09636	5.4
185.13171	4.8
185.15436	6.0
187.11189	9.9
189.09163	31.2
189.10649	5.2
191.10725	4.4
193.12221	4.8
193.15918	4.2
195.11667	9.7
197.13286	5.2
199.11191	11.1
199.14902	6.1
201.12819	9.7
207.10187	43.7
209.13397	5.7
211.15054	7.0
211.16899	35.1
217.12231	9.6
219.13802	12.3
219.33853	3.8
225.11214	100.0
226.11540	5.2
227.18018	5.8
229.18004	68.1
231.13789	4.7
237.12721	4.5
237.16411	6.0
245.15491	5.2
251.18040	6.8
255.17484	10.1
258.23685	3.9
259.13345	4.5
269.18945	13.7
273.18512	6.8
279.17432	8.9
287.16547	5.2
287.19998	6.8
297.13208	5.1
297.18518	39.4
315.19550	77.2
333.13214	7.2
333.20630	10.0
351.14609	4.9
367.22543	4.5
385.23770	11.4
441.22723	6.0
459.27863	6.8
477.23895	6.7
477.29321	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	477.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33102	2.0
53.03947	3.6
55.01866	5.2
55.05512	15.4
57.03444	4.1
61.02903	2.0
65.03945	2.1
67.05173	2.6
67.05509	26.3
69.03428	32.5
69.07061	12.2
71.04810	3.6
79.05495	23.0
81.03423	14.8
81.07062	27.6
83.04961	7.4
83.08615	7.3
85.02915	11.3
85.06572	3.5
85.23488	2.0
91.05484	28.8
93.07046	44.3
95.04948	9.3
95.08610	36.6
97.02895	18.0
97.06533	17.2
97.10175	5.1
99.04439	3.0
103.05448	2.7
104.13967	2.2
105.07035	53.4
107.04954	7.7
107.08601	56.2
109.02892	15.4
109.06519	11.8
109.09463	3.7
109.10159	46.8
111.04458	13.2
111.08075	6.1
111.93223	2.2
113.06029	3.5
117.07032	14.5
119.08580	72.7
121.06499	15.4
121.10146	27.8
123.08077	11.6
123.11722	10.4
125.05933	3.3
125.09645	6.3
127.03930	21.6
128.06262	4.0
129.07008	7.0
130.07759	2.6
131.08574	17.6
133.06494	26.8
133.09126	2.4
133.10136	48.4
135.08052	34.0
135.11684	9.6
137.05969	3.1
137.09622	5.6
139.07526	3.9
141.06985	2.9
142.07780	3.3
143.08586	12.9
144.09390	2.3
145.06462	3.7
145.10117	20.6
146.07242	2.5
147.08058	19.9
147.11693	9.9
148.11797	2.3
149.09627	14.8
149.13214	4.5
151.11232	5.3
155.08606	5.0
156.09335	4.5
157.10123	18.7
159.08092	3.1
159.11676	25.2
161.09616	24.3
161.13293	3.6
163.07619	3.2
163.11221	6.7
165.09120	28.7
169.10167	7.0
171.08006	3.1
171.11763	12.6
173.09665	7.0
173.13287	10.4
175.11203	5.2
175.14839	4.5
177.12753	3.1
179.10692	25.8
181.10136	3.2
181.12212	6.0
183.11720	6.8
185.09677	6.9
185.13272	6.8
187.11185	9.3
187.14839	5.1
189.09103	22.5
193.12209	2.6
197.13312	5.1
199.11226	7.6
199.14816	9.5
201.12865	5.2
207.10127	36.7
209.11670	2.6
209.13409	4.4
211.14876	4.1
213.09143	3.2
213.12810	3.5
213.16476	3.0
217.12344	5.8
217.15833	2.5
219.13802	8.4
225.11224	100.0
226.11719	3.3
227.10631	3.8
227.17920	4.4
231.08557	4.7
231.14006	2.7
233.15448	2.7
237.12836	2.4
237.16316	3.1
241.12169	2.3
251.18018	6.3
255.17479	6.6
267.15729	4.1
269.18994	7.9
273.15552	2.8
273.18423	12.4
279.17407	7.6
287.16614	4.5
287.20084	11.8
297.18506	34.4
315.19574	73.6
333.20584	9.0
367.22610	7.5
381.58081	2.5
385.23578	8.9
446.84714	2.7
459.27594	13.5
477.24731	9.2
477.29419	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	477.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.2
55.01873	4.7
55.05505	8.8
56.96558	2.3
57.03421	4.5
60.05176	1.6
61.02920	2.5
62.07994	1.7
66.86043	1.9
67.05502	28.0
69.03429	24.1
69.07076	10.3
69.88297	2.0
71.50999	3.5
73.02908	3.1
77.03918	2.4
79.05483	21.6
81.03421	13.2
81.07050	32.6
83.04974	5.3
83.06483	1.8
83.08610	4.2
84.56950	1.7
85.02888	8.0
85.06523	8.7
87.04491	1.8
91.05476	27.1
91.15381	2.1
93.07032	35.7
95.04960	9.0
95.08606	33.4
96.08892	1.9
97.02882	14.5
97.06532	7.0
97.10143	2.0
104.69307	2.3
105.06375	3.7
105.07023	43.4
107.04924	5.7
107.08591	47.0
109.02887	13.4
109.06510	13.0
109.10151	52.5
111.04483	9.4
111.08063	6.5
117.06996	8.2
119.08571	57.2
120.08826	2.1
121.06483	10.4
121.10144	22.2
123.08038	11.4
123.11699	9.8
125.05964	2.0
127.03905	19.2
128.98607	2.1
129.06989	3.2
131.08560	13.0
133.06497	27.6
133.10135	44.2
135.08049	26.8
135.11665	10.6
137.05948	2.9
137.09605	11.5
139.07509	2.2
142.07808	3.2
143.08563	8.4
145.10126	17.1
147.08080	17.8
147.11638	6.0
149.06035	2.6
149.09602	10.3
151.11163	4.3
155.08569	5.4
156.09360	3.5
157.10091	9.7
159.11702	16.4
161.09621	21.8
161.13239	4.1
163.04007	3.8
163.11197	7.0
165.09111	57.6
169.10164	6.5
171.11705	10.9
173.09647	2.9
173.13252	9.0
175.11197	4.9
175.14824	2.1
179.10680	21.2
181.10114	3.1
181.11974	2.1
183.11794	2.8
185.09647	4.6
185.13264	7.3
187.11194	7.4
187.14708	3.3
189.09096	13.6
191.03323	2.1
195.11694	4.1
197.13164	3.8
199.11133	7.5
199.14825	7.2
201.12651	3.1
203.10577	2.5
205.12267	3.0
207.10135	35.0
209.13341	3.6
211.14830	5.2
213.16432	2.5
217.12216	3.7
217.15929	2.4
219.13777	3.0
225.11201	100.0
227.10681	2.3
227.17998	3.2
231.01770	2.4
233.15459	2.3
237.16478	3.1
241.12115	3.0
241.19577	3.4
251.17883	6.2
255.13950	2.6
255.17343	5.3
269.18942	7.6
273.18436	9.1
279.17322	4.7
287.05536	4.4
287.20062	9.4
297.18527	21.6
305.26685	2.5
315.19510	56.6
333.20471	6.4
410.69775	4.0
459.27551	2.9
476.71902	13.8
477.22964	10.5
477.29669	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	477.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01869	2.8
55.05497	6.7
62.52630	1.8
64.62240	2.6
67.05502	20.1
69.03419	14.8
69.07049	4.4
70.63876	2.4
70.64204	5.9
71.05016	3.3
72.55904	2.3
73.02901	4.8
75.99062	2.4
79.05481	13.6
81.03416	18.1
81.07047	18.9
83.08598	3.3
85.02892	3.8
91.05473	20.2
93.07050	30.1
95.04951	7.4
95.08609	23.0
97.02888	17.6
97.06537	5.8
99.04440	7.2
100.52486	2.0
105.07032	32.1
107.04939	6.2
107.08600	35.3
109.02869	24.2
109.06503	9.7
109.09459	3.3
109.10163	48.2
111.04453	11.8
111.08057	4.4
113.06009	4.9
117.06992	5.8
119.08584	62.3
121.06490	10.2
121.10162	14.9
123.08073	11.8
123.11687	8.0
127.03916	54.7
129.07028	3.1
131.08569	7.6
133.06444	12.5
133.10133	44.2
135.08049	16.1
135.11691	6.4
137.09604	8.0
142.07739	3.1
143.08549	9.8
145.04956	6.4
145.10106	12.9
147.08049	25.3
147.11687	4.4
149.09589	9.1
151.11171	6.3
155.08508	3.0
157.10109	6.0
159.11685	7.7
161.09608	24.1
161.82996	2.4
163.11179	4.9
165.09114	31.3
169.09976	2.9
171.08130	3.5
171.11703	4.1
173.09621	2.6
173.13226	6.3
175.11171	3.5
179.10674	22.9
185.09602	4.3
185.13239	2.3
187.11180	7.2
189.09109	21.2
191.10716	3.3
197.13258	2.3
199.11256	5.3
200.68147	2.3
201.12679	3.5
207.10159	39.8
207.12004	3.1
209.13277	3.2
217.12196	3.4
219.13857	2.5
225.11230	100.0
226.11545	3.6
251.17993	4.7
255.17424	5.1
269.18900	4.9
273.18466	5.1
279.17307	5.5
287.20016	7.0
289.78329	2.2
297.13544	2.5
297.18481	16.8
315.19580	37.0
333.13251	6.1
333.20575	4.7
351.14340	6.2
361.47711	2.5
385.23416	2.8
441.22458	4.2
477.28577	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	477.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
55.01853	5.1
55.05511	20.3
56.05855	3.2
59.04988	2.1
62.95027	2.1
67.05501	25.7
69.03426	19.9
69.07063	10.4
70.76814	7.8
70.84230	1.9
73.02924	2.7
74.74348	2.1
75.26406	2.1
79.05493	19.8
81.03416	21.6
81.07053	29.8
82.03764	2.3
83.04987	26.7
83.08631	7.2
84.05331	4.0
85.02913	6.7
85.06555	3.1
91.05477	33.0
93.07043	35.9
95.04971	9.2
95.08613	35.7
97.02885	19.3
97.06539	7.7
97.10149	5.1
98.30748	2.2
99.04481	3.9
103.05464	2.6
105.07035	44.6
106.07318	2.5
107.04953	9.8
107.08591	44.2
109.02882	31.8
109.06500	10.8
109.10159	60.2
111.04450	14.4
111.08091	8.3
112.90627	2.0
117.07013	8.3
119.08585	69.3
120.08911	4.1
121.06493	12.2
121.10129	20.5
123.08070	13.0
123.11673	11.8
125.05990	4.5
125.09648	5.1
127.03918	43.3
128.04227	4.1
129.06993	4.4
131.08559	14.5
133.06508	19.9
133.10130	50.7
133.11084	4.2
134.10529	2.1
135.08069	35.8
135.11716	9.5
137.05995	3.8
137.09639	8.1
142.07811	2.9
143.08562	11.9
145.05006	4.4
145.06483	5.2
145.10139	18.0
147.08051	20.0
147.11685	5.3
148.08566	2.4
149.09644	10.8
149.13216	2.6
150.93893	2.1
151.07529	3.3
151.11189	7.2
155.08540	4.4
156.09344	2.9
157.10153	15.7
159.11713	12.7
161.09634	26.4
161.13318	3.5
163.07639	2.8
163.11230	7.6
163.14729	2.3
165.09120	30.1
167.07079	4.6
169.10072	5.7
171.08067	3.6
171.11694	7.4
173.09636	3.1
173.13188	5.5
175.11218	6.7
175.14824	2.6
177.12733	3.6
179.10687	19.8
181.04881	2.3
181.12206	2.7
182.10956	3.9
183.11684	4.5
185.09654	6.3
185.13258	5.9
187.11214	7.7
187.14833	3.4
189.09122	18.4
189.12816	2.9
191.10757	3.2
195.11771	4.9
197.13274	4.5
199.11220	4.9
199.14844	4.6
201.12766	4.5
201.16338	2.9
203.14371	2.6
205.12245	2.3
207.10161	39.1
211.14775	3.2
213.12712	3.5
217.12260	4.3
219.13806	4.9
225.11214	100.0
227.17885	3.5
229.12283	3.8
231.13809	2.8
237.16542	4.4
241.19554	3.6
251.17970	4.8
255.17468	5.4
269.18942	4.3
273.18570	6.4
279.17337	3.2
287.19946	4.8
297.18518	18.7
299.20108	5.6
300.20404	8.1
315.19547	43.4
317.21075	3.5
318.21478	14.8
333.13580	3.2
333.20419	4.2
351.14523	3.2
367.22784	3.4
441.22806	3.6
459.22778	4.6
459.28302	3.2
477.24277	3.8
477.28311	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01882	4.5
55.05505	8.1
56.96559	7.5
57.03427	4.8
61.02920	5.1
62.06107	2.4
65.03953	2.4
67.05502	31.1
68.05831	3.1
69.03431	13.0
69.07050	9.8
69.86143	11.4
71.04990	4.2
73.02914	4.2
79.05493	21.2
81.03426	12.6
81.07056	28.2
82.07382	3.6
83.04977	4.7
83.08630	3.3
85.02903	8.0
85.06520	2.3
86.05505	2.2
91.03933	3.9
91.05473	27.1
93.07051	26.8
94.62994	1.8
95.04975	7.8
95.08608	26.7
97.02901	13.3
97.06496	2.9
98.06054	7.3
98.97646	2.9
99.04442	5.7
99.06379	2.5
103.15253	2.3
105.07025	32.6
105.07680	3.2
107.04930	4.1
107.08601	30.1
109.02882	20.9
109.05756	2.0
109.06493	11.9
109.10149	40.1
111.04440	4.6
111.08110	4.9
112.07593	2.0
115.40329	1.8
117.07032	5.9
119.08580	46.2
121.06477	4.8
121.10140	15.5
123.08045	9.5
123.11706	5.0
125.05967	2.1
127.03913	35.5
128.06235	2.2
129.06989	3.0
131.08554	7.2
133.06503	6.9
133.10124	34.9
135.08093	9.5
135.11673	6.9
137.09630	4.3
137.41850	1.9
142.07831	2.5
143.08559	7.7
145.04953	5.5
145.10143	7.2
147.08032	16.8
147.11719	3.2
149.09657	4.2
149.13278	3.5
151.11086	2.3
157.10112	4.9
159.08269	2.3
159.11719	5.8
160.08594	2.5
161.09628	23.1
163.11131	6.5
165.09122	23.3
169.10080	3.1
170.19682	1.9
171.11636	5.5
173.13264	2.4
175.11148	2.5
179.10690	12.8
185.09583	3.4
187.11137	2.1
189.09128	13.6
191.10661	2.4
197.13271	2.1
199.06453	2.6
199.11177	3.5
203.05986	2.7
205.12093	2.3
207.10130	25.7
207.13618	2.5
211.14961	2.2
217.12291	4.3
219.13905	2.1
225.08997	4.2
225.11215	73.8
243.09137	2.2
269.10507	3.3
269.19144	3.6
279.17465	2.7
281.10657	9.2
281.17404	2.5
285.10071	3.3
287.20056	3.4
290.91861	2.0
297.13342	4.0
297.18454	8.7
299.11685	5.2
304.26254	14.7
305.26663	100.0
315.19528	22.0
316.11719	3.1
322.11652	8.6
322.62000	2.6
331.12460	2.7
333.13437	3.3
351.14508	4.6
365.15286	4.0
367.17715	6.0
403.34686	2.4
428.19077	3.9
436.18384	2.8
441.22470	2.1
459.23349	2.6
477.28525	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
55.01878	2.9
56.08187	3.0
67.05505	17.5
69.03440	15.2
69.07072	7.8
70.81885	8.4
71.04972	4.9
73.02914	3.4
79.05492	16.2
79.19594	2.7
81.03419	16.7
81.07069	16.8
83.05004	3.5
83.08636	3.1
85.02885	3.5
91.05483	18.3
92.85960	3.5
93.07055	21.3
94.41754	3.4
95.04967	4.8
95.08599	29.6
97.02898	11.1
97.06522	14.1
99.04451	7.2
103.05485	2.9
105.07037	42.3
107.04971	5.3
107.08598	39.5
109.02882	26.6
109.06496	8.9
109.10149	44.9
111.04478	8.2
111.08086	7.2
116.29118	2.5
117.07048	8.6
119.07786	5.1
119.08587	59.8
119.30500	2.9
121.06517	8.7
121.10166	18.0
121.61231	3.0
123.08077	12.6
123.11769	8.7
127.03923	49.2
130.74551	3.2
131.08569	9.7
133.06494	24.6
133.10124	40.9
135.04349	3.0
135.08005	14.8
135.11708	8.0
137.09583	3.7
139.07594	4.0
142.07791	4.3
143.08540	11.8
145.10150	9.9
147.08070	20.3
147.11674	5.8
149.09654	10.5
151.11194	5.8
157.10136	9.8
159.08093	4.6
159.11693	9.0
161.09602	26.9
163.11221	6.4
165.09128	20.9
169.10120	6.3
171.08061	3.0
171.11693	8.1
173.09639	5.3
173.13284	6.4
179.10680	19.4
181.09953	4.1
185.09572	3.5
185.13280	4.4
187.11172	8.6
189.09134	21.9
194.96092	2.9
195.11816	3.3
199.11238	5.0
199.14912	5.4
201.12759	4.1
207.10190	35.2
209.13336	5.6
211.14938	4.4
213.12834	5.8
213.16417	3.0
213.25174	3.0
217.12172	4.8
219.13799	6.6
223.11087	2.9
225.11221	100.0
227.17885	3.3
228.93958	3.0
237.16470	3.6
238.91751	3.4
251.17888	4.1
255.17432	3.4
269.18988	7.5
273.18460	5.4
279.17450	4.0
287.19858	5.2
297.18552	22.3
315.19583	40.9
333.13248	5.4
343.40375	3.2
351.14420	4.7
405.22336	3.3
459.23584	6.9
477.24652	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	477.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	10.3
55.05510	11.8
56.91819	4.3
67.05503	34.0
69.03435	19.5
69.07086	11.5
70.13915	22.5
70.14246	4.9
71.04996	5.7
73.02925	6.0
79.05489	19.3
81.03400	22.9
81.07050	28.6
85.02891	7.7
91.05490	30.8
93.07038	35.4
95.04959	7.0
95.08607	37.8
97.02905	13.7
97.06548	15.8
99.04485	8.7
105.07032	46.6
107.08621	38.3
109.02879	36.8
109.06531	12.7
109.10154	56.4
111.04446	16.4
111.08088	9.2
117.07065	6.1
119.08575	75.9
121.06528	8.9
121.10148	25.0
123.08083	21.0
123.11710	13.3
127.03915	62.9
131.08597	15.3
133.06473	19.6
133.10121	51.7
135.08057	16.3
135.11725	9.4
137.09575	10.7
143.08557	9.6
145.04924	6.0
145.10118	23.4
147.08044	23.6
147.11757	6.1
149.09634	13.2
157.10164	13.6
159.11746	19.9
161.09625	37.0
163.11212	10.1
165.09074	28.2
169.10144	6.1
171.11803	15.5
173.13179	7.2
173.46518	4.7
179.10709	23.6
183.11757	6.6
185.09712	7.6
187.11174	13.1
189.09116	21.8
195.11749	5.9
197.13263	5.2
207.10136	31.6
209.13403	6.2
213.12755	5.4
217.12199	6.8
219.13893	6.1
225.11183	100.0
234.53220	5.0
255.17407	8.2
269.19043	7.9
273.18488	7.7
279.17648	7.7
297.18533	26.9
315.19568	57.0
333.20633	8.1
351.14557	9.1
459.23657	8.6
477.24100	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	477.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71042	4.2
53.03927	5.7
55.01864	8.9
55.05520	23.5
57.03436	6.6
62.21150	4.6
67.05511	52.2
69.03436	28.8
69.07055	16.6
69.96703	26.8
71.04977	5.3
71.29479	4.2
73.02906	6.6
79.05485	37.3
79.91785	4.4
81.03432	29.2
81.07065	46.2
83.08624	13.5
85.02907	11.9
91.05477	43.9
93.07051	44.3
95.04963	16.6
95.08609	62.7
97.02891	17.4
97.06524	37.7
97.10166	10.5
99.04430	8.9
99.08098	6.4
105.07022	52.4
107.04960	10.3
107.08588	55.5
109.02886	35.3
109.06515	21.4
109.10157	60.9
111.04446	30.4
111.08091	9.7
117.07009	16.6
119.08587	93.1
121.06503	13.4
121.10146	27.3
123.08057	15.4
123.11702	19.4
125.09650	15.5
125.40614	4.5
127.03917	73.0
129.07010	11.6
131.08560	20.5
133.06488	24.4
133.10129	57.7
135.08060	26.3
135.11725	8.2
137.06023	27.5
137.09616	9.5
142.07751	5.7
143.08569	24.3
145.04971	9.6
145.06499	8.7
145.10115	25.3
147.08038	35.8
147.11647	12.2
149.09590	17.1
151.11232	9.1
157.10135	19.2
159.11690	27.3
161.09660	40.2
163.07585	5.8
163.11189	14.0
165.09120	34.5
169.10127	12.3
171.11627	22.9
173.09677	5.7
173.13283	14.7
175.14903	6.1
179.10635	23.2
183.11763	9.5
185.09674	15.6
185.13301	12.6
187.11188	14.4
189.09122	21.5
189.11136	6.7
191.10860	5.5
195.11746	9.5
197.13330	5.0
199.11191	17.6
199.14876	9.3
201.12785	11.7
203.10786	6.2
203.18294	5.6
205.16048	5.2
207.10138	39.4
209.13310	8.4
211.14886	9.5
213.12756	6.6
217.12273	6.2
218.68874	5.4
219.13737	22.0
225.11224	100.0
227.17830	7.2
233.15550	6.1
237.16429	9.2
241.12202	8.4
245.11781	9.0
251.17923	12.0
255.17453	7.4
269.19092	15.0
273.14764	6.6
273.18579	12.3
279.17508	17.6
287.20029	13.3
297.18527	41.8
315.19589	77.2
325.17932	14.7
333.20700	6.7
351.14532	5.9
367.22827	9.2
385.23740	22.8
403.24670	6.9
441.22516	5.2
458.38889	4.9
459.27667	13.9
477.29126	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	477.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01872	2.6
55.05509	3.8
57.03428	3.7
59.04986	1.5
61.02921	3.7
61.03260	0.9
66.04727	1.0
67.05492	4.8
67.05827	0.9
69.03077	1.5
69.03432	23.5
69.07063	4.0
70.06583	5.7
71.04994	25.3
71.56777	1.0
72.08147	3.8
73.02925	5.0
73.06557	3.2
79.05490	6.8
80.90121	0.9
81.03425	19.1
81.07058	22.1
81.97736	1.0
83.04993	5.2
84.04477	2.0
84.08175	1.8
85.02907	73.4
85.06546	3.6
86.09705	4.1
87.04478	2.0
89.06030	1.5
91.03934	1.9
91.05486	7.5
93.07050	17.7
95.04951	3.2
95.08604	4.3
97.02278	2.1
97.02899	33.0
97.06535	5.7
99.04458	42.5
99.05106	2.1
99.08080	1.7
103.03945	73.4
104.05356	1.2
105.07023	4.9
107.04949	2.0
107.08590	12.7
109.02883	23.6
109.06514	3.0
109.10160	7.5
111.04438	1.7
111.08080	2.4
115.03927	1.2
115.05467	1.3
117.03372	1.4
117.06991	1.6
119.04941	1.1
119.08580	2.6
121.06512	1.8
121.10129	1.5
121.26993	1.0
123.08017	1.7
123.11696	7.9
125.09647	1.1
127.03921	100.0
127.11186	2.6
131.08556	1.3
133.06517	2.8
133.10155	2.9
135.04443	1.4
135.08055	1.2
135.11702	24.3
137.05974	2.7
137.09645	2.0
141.12744	25.3
145.02890	2.9
145.04964	51.8
145.10133	1.4
147.04385	1.9
147.11681	2.3
151.03860	2.2
151.07585	1.6
151.11208	2.6
153.12749	82.9
155.14301	2.1
161.05978	2.4
162.91769	1.1
163.03914	2.7
163.06030	39.7
163.07370	1.8
164.82593	1.0
165.12843	1.3
167.07008	2.5
169.04968	2.1
169.12267	3.6
171.13806	52.8
173.09631	1.8
175.07529	3.1
175.14856	1.6
177.05461	5.1
181.12218	2.1
186.07661	1.5
187.05989	8.1
191.10646	1.2
191.15834	1.1
193.08604	3.4
193.12256	2.1
195.13812	2.0
201.05501	2.2
205.07050	4.5
211.13231	1.7
219.13760	1.2
231.13864	1.3
243.13737	1.9
251.09149	2.0
261.14893	4.2
271.08276	6.5
279.15991	2.3
289.09204	4.2
295.79391	1.2
307.10236	6.0
355.11917	2.1
357.06091	1.5
423.20389	1.8
441.20969	2.0
477.17212	8.1
477.24387	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	477.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01877	4.6
55.05513	17.3
55.43266	1.7
57.03432	2.6
57.07076	3.0
59.05000	2.6
61.02950	2.1
65.03949	1.8
67.01862	1.7
67.05513	18.4
69.03435	20.4
69.07067	9.8
71.04993	6.5
73.02893	3.1
79.05484	10.7
81.03422	16.9
81.07056	17.5
83.04984	19.1
83.08633	11.7
85.02902	13.4
85.06557	9.2
87.00850	3.2
87.45425	1.8
91.05481	14.3
93.07037	17.2
95.04992	7.7
95.08608	20.6
96.37179	1.8
97.02917	10.3
97.06533	6.6
97.10168	7.4
99.04452	4.9
99.08100	3.1
105.07030	18.6
107.04948	4.9
107.08601	25.8
109.02881	20.2
109.06523	5.7
109.10165	45.3
110.03192	1.5
111.04453	5.6
111.08131	5.0
113.05982	3.4
117.07035	3.2
119.08588	26.5
121.06500	5.5
121.10139	12.2
123.07288	1.7
123.08094	6.6
123.11723	18.8
125.09627	13.6
126.10030	1.5
127.03934	31.0
127.11225	8.9
128.04228	2.7
129.07030	4.6
131.08598	6.3
133.06505	10.3
133.10139	20.7
135.08084	7.0
135.11691	13.9
137.09648	2.7
142.07730	1.8
143.08553	4.7
145.04974	3.9
145.06525	1.6
145.10155	7.3
147.08049	9.5
147.11742	3.8
149.09615	5.0
149.13286	5.5
151.11227	5.1
153.12793	4.3
155.08514	2.4
156.09390	2.1
157.10141	7.1
159.11763	5.7
161.09599	12.1
161.13264	2.1
163.11165	4.1
165.09135	9.5
167.14328	10.7
169.10130	2.8
169.12259	24.4
171.08098	2.4
171.11728	4.3
171.13847	2.7
173.09665	2.0
173.13361	2.2
175.11214	3.5
175.14836	5.4
177.16449	2.2
179.10675	7.3
181.10121	1.9
183.11652	1.8
185.09685	3.2
185.15395	6.3
187.11185	3.9
187.14752	2.2
189.09137	5.3
189.11182	1.9
191.10539	2.9
193.12195	3.2
193.15923	11.8
195.11658	1.6
199.11154	4.3
207.10170	11.0
209.15366	4.8
211.15126	1.7
211.16930	47.4
213.12788	1.9
215.14323	1.7
217.12347	2.0
219.13817	2.8
225.11229	28.1
225.16243	1.7
227.18016	2.1
229.18007	100.0
233.15155	1.6
237.16365	2.0
240.27109	1.7
251.17996	2.0
253.18092	2.0
255.17375	2.1
267.15976	2.6
269.19022	6.0
297.18573	6.2
315.19489	16.7
333.20554	2.2
367.22665	3.4
385.23804	9.9
403.24915	2.4
459.21814	2.6
459.28073	10.3
477.28793	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	477.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05968	2.1
53.03941	2.5
55.05509	7.4
57.03433	3.5
64.77142	2.6
67.05492	9.4
69.03413	8.6
69.07071	10.8
69.35996	24.9
71.04989	5.3
79.05488	10.9
81.03417	3.5
81.07063	25.4
83.04975	3.3
83.08614	6.7
85.02911	11.8
85.06550	94.3
91.05481	9.2
93.07043	35.6
95.04959	4.9
95.08594	16.4
97.02907	8.9
97.06532	32.7
99.08098	2.6
103.03912	4.4
105.01788	2.3
105.07036	15.0
107.08585	26.6
109.02871	5.1
109.06519	2.7
109.10165	11.2
111.08058	4.0
113.02391	2.4
113.06005	2.1
116.16252	2.4
117.07001	2.6
119.08577	15.8
121.06541	3.8
121.10136	45.3
123.08051	2.9
123.11692	5.3
127.03878	7.0
131.08618	5.2
133.10127	4.7
135.08061	4.8
135.11691	5.1
137.09569	4.5
145.02751	2.4
145.10121	3.6
147.11610	6.2
149.09621	2.6
149.13254	32.8
159.11699	12.1
161.09622	4.4
165.12750	5.6
167.14320	5.5
167.87410	2.6
175.11188	2.6
177.12756	43.5
195.13838	27.5
198.11324	2.7
199.11552	5.0
211.16978	4.1
213.14865	5.7
216.12260	2.7
269.17493	100.0
283.15509	4.6
315.19666	3.1
441.21335	3.9
477.34027	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	477.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01872	2.6
55.05509	3.8
57.03428	3.7
59.04986	1.5
61.02921	3.7
61.03260	0.9
66.04727	1.0
67.05492	4.8
67.05827	0.9
69.03077	1.5
69.03432	23.5
69.07063	4.0
70.06583	5.7
71.04994	25.3
71.56777	1.0
72.08147	3.8
73.02925	5.0
73.06557	3.2
79.05490	6.8
80.90121	0.9
81.03425	19.1
81.07058	22.1
81.97736	1.0
83.04993	5.2
84.04477	2.0
84.08175	1.8
85.02907	73.4
85.06546	3.6
86.09705	4.1
87.04478	2.0
89.06030	1.5
91.03934	1.9
91.05486	7.5
93.07050	17.7
95.04951	3.2
95.08604	4.3
97.02278	2.1
97.02899	33.0
97.06535	5.7
99.04458	42.5
99.05106	2.1
99.08080	1.7
103.03945	73.4
104.05356	1.2
105.07023	4.9
107.04949	2.0
107.08590	12.7
109.02883	23.6
109.06514	3.0
109.10160	7.5
111.04438	1.7
111.08080	2.4
115.03927	1.2
115.05467	1.3
117.03372	1.4
117.06991	1.6
119.04941	1.1
119.08580	2.6
121.06512	1.8
121.10129	1.5
121.26993	1.0
123.08017	1.7
123.11696	7.9
125.09647	1.1
127.03921	100.0
127.11186	2.6
131.08556	1.3
133.06517	2.8
133.10155	2.9
135.04443	1.4
135.08055	1.2
135.11702	24.3
137.05974	2.7
137.09645	2.0
141.12744	25.3
145.02890	2.9
145.04964	51.8
145.10133	1.4
147.04385	1.9
147.11681	2.3
151.03860	2.2
151.07585	1.6
151.11208	2.6
153.12749	82.9
155.14301	2.1
161.05978	2.4
162.91769	1.1
163.03914	2.7
163.06030	39.7
163.07370	1.8
164.82593	1.0
165.12843	1.3
167.07008	2.5
169.04968	2.1
169.12267	3.6
171.13806	52.8
173.09631	1.8
175.07529	3.1
175.14856	1.6
177.05461	5.1
181.12218	2.1
186.07661	1.5
187.05989	8.1
191.10646	1.2
191.15834	1.1
193.08604	3.4
193.12256	2.1
195.13812	2.0
201.05501	2.2
205.07050	4.5
211.13231	1.7
219.13760	1.2
231.13864	1.3
243.13737	1.9
251.09149	2.0
261.14893	4.2
271.08276	6.5
279.15991	2.3
289.09204	4.2
295.79391	1.2
307.10236	6.0
355.11917	2.1
357.06091	1.5
423.20389	1.8
441.20969	2.0
477.17212	8.1
477.24387	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	477.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
55.05494	1.0
57.03437	1.7
57.32044	0.9
57.93145	0.8
60.04514	2.2
61.02912	1.2
65.03938	1.0
65.51151	0.8
67.05497	1.8
69.03432	5.8
69.07060	1.1
70.06598	1.4
71.04985	3.9
71.34583	2.0
79.05495	2.6
79.63075	1.0
81.03419	3.7
81.07054	2.9
85.02904	12.8
86.09681	1.3
87.04460	1.4
91.05469	3.4
92.33154	0.9
93.07070	4.8
94.06557	2.5
95.04942	1.3
95.07323	1.6
95.08582	3.7
96.04471	2.5
96.08134	4.5
97.02900	4.7
97.06530	1.9
99.04428	2.6
101.16841	0.9
103.03915	2.4
103.05447	1.1
105.07013	1.9
106.06535	1.5
107.04959	1.3
107.08592	2.3
108.08131	8.8
108.23265	0.9
109.02851	1.6
110.09689	7.1
119.08589	1.6
120.04476	10.4
120.08124	7.7
123.08019	1.3
124.03945	5.3
126.09154	1.2
127.03903	5.7
127.76471	1.0
129.05429	0.8
134.05968	2.3
136.07584	22.9
138.05530	1.6
138.09149	11.4
140.10725	1.5
141.10983	1.1
141.12737	1.0
145.02779	1.1
145.04939	3.0
148.07542	5.7
150.05554	2.9
151.05891	1.0
153.12727	5.7
154.08635	29.4
161.05959	1.2
162.05508	100.0
163.05917	2.1
166.08647	28.3
168.06566	1.3
171.13838	0.9
177.05446	2.4
184.09869	1.1
192.63541	1.0
199.12372	1.7
212.09537	1.0
227.11778	4.7
250.07210	3.2
255.11346	2.9
269.12842	3.6
273.12399	2.5
287.13950	1.9
297.12369	12.8
315.13400	83.4
316.13654	1.4
441.30359	3.5
458.30878	1.1
459.31616	5.3
477.17209	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	476.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
54.76965	1.1
55.01860	2.1
55.05515	10.7
57.07064	2.2
58.06590	1.2
58.71569	1.0
60.04526	18.3
64.86333	1.2
65.03934	1.4
67.05207	1.4
67.05514	13.9
69.03437	3.9
69.07071	6.2
70.06588	5.4
70.82789	3.4
70.83141	1.3
71.05002	2.0
79.05499	7.2
81.03425	4.5
81.07066	14.5
82.06581	2.0
83.04991	12.6
83.08644	2.8
84.08150	3.4
85.06537	3.0
86.06059	8.3
91.05479	10.4
93.07038	16.7
95.04967	2.9
95.08611	21.1
96.08154	1.2
97.02893	3.8
99.04459	1.8
100.07632	3.5
105.07027	16.8
107.04948	2.2
107.08598	21.7
109.02239	1.3
109.02849	7.3
109.06505	3.7
109.10161	18.8
110.06050	37.3
111.04447	14.9
111.06858	5.9
111.08070	3.3
117.07043	4.2
119.08591	36.0
121.06505	2.5
121.10146	10.6
123.08107	2.7
123.11753	6.5
124.07603	3.2
125.05928	1.3
127.03896	5.6
129.07030	2.4
131.08586	5.9
133.06491	2.9
133.09207	2.3
133.10135	18.4
135.08060	6.4
135.11661	6.5
136.11206	1.4
137.06000	1.8
137.09622	3.9
137.13268	1.5
139.07523	1.9
142.07729	1.6
143.08565	4.7
145.10141	8.9
147.08066	1.6
147.11681	9.8
149.09705	1.7
149.13281	2.1
150.12840	1.5
151.07582	1.7
151.11195	3.9
153.09090	1.2
157.10130	5.0
159.11707	11.0
161.09633	4.8
161.13199	6.2
163.11168	2.9
163.14806	8.7
165.09134	3.4
169.10187	4.4
171.11696	5.0
173.09616	2.6
173.13268	7.8
175.11186	3.1
175.14709	1.2
179.10695	3.4
181.10118	1.5
183.11714	4.1
185.13239	3.1
187.11182	4.2
187.14864	3.6
189.09082	3.8
189.16394	4.6
191.10643	1.5
197.13274	4.8
199.11217	1.8
199.14748	1.6
201.12782	2.1
201.16478	3.1
205.12231	2.2
205.15907	2.0
207.10104	2.7
209.13327	1.7
211.11269	1.4
211.14935	2.0
213.12752	2.1
213.16376	2.9
214.31302	1.1
215.10788	1.3
215.17894	1.4
219.13893	2.0
225.11253	8.8
229.12393	3.0
239.18002	4.0
243.13773	3.4
243.21169	1.4
253.19545	2.3
255.17432	1.4
257.19049	3.8
271.20554	2.7
273.18140	1.6
275.20078	3.5
281.19089	3.3
289.21454	1.3
299.20062	22.4
315.19479	3.4
316.22711	19.6
317.21103	34.1
334.23788	18.1
358.23773	100.0
359.23856	1.5
376.24844	25.0
404.51089	1.8
470.28479	1.5
476.21066	2.5
476.28070	2.0
477.28394	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	476.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01879	2.2
55.05507	21.9
55.23328	1.5
56.05814	1.6
57.03446	2.7
60.04523	24.4
67.05503	21.1
67.32413	1.7
68.05840	2.5
68.27284	1.5
69.03429	3.2
69.07066	5.2
70.06586	5.2
70.07389	1.5
71.05005	1.9
71.33736	2.6
79.05495	14.2
81.03413	4.3
81.07060	15.3
82.06571	2.8
83.04984	17.9
83.08624	7.2
84.08160	2.1
85.06545	5.2
86.06068	8.6
91.05473	15.9
93.07040	18.0
94.07371	1.5
95.04960	4.4
95.08052	1.9
95.08610	22.9
97.02907	3.2
97.06534	3.8
97.10167	5.2
99.04446	1.7
100.07598	4.0
100.22036	1.5
102.11281	1.3
104.75619	1.5
105.07011	20.9
106.07396	1.5
107.04977	3.0
107.08591	24.8
108.08901	1.5
108.30433	1.5
109.02857	6.9
109.06610	3.4
109.10146	21.5
110.06042	37.2
110.09727	1.3
110.10497	1.3
111.04427	12.8
111.06829	4.7
111.08108	1.9
112.07667	1.9
115.05440	1.5
117.07018	4.9
119.08578	38.5
121.06501	5.2
121.10139	11.1
123.08083	4.4
123.11714	5.7
124.07593	3.5
125.09621	4.6
127.03887	8.1
128.04254	2.5
128.07126	1.5
129.07001	1.9
131.04950	1.8
131.08557	7.5
132.08942	1.7
132.65384	1.7
133.06531	2.9
133.10112	19.2
135.08044	7.1
135.11708	7.9
137.09642	6.4
139.07559	2.6
143.08562	5.5
145.10127	9.2
147.08026	3.3
147.11661	12.2
149.09621	4.0
149.13216	2.9
151.07512	2.1
151.11240	4.1
155.08522	2.5
156.09323	1.9
156.28899	1.5
157.10159	10.0
159.08035	2.5
159.11726	9.4
161.05971	3.0
161.09669	4.9
161.13243	5.5
163.07530	2.1
163.11221	4.0
163.14803	7.8
165.09105	27.2
169.10129	4.2
171.08023	1.7
171.11723	5.7
173.09671	3.6
173.13278	7.0
175.11302	1.4
175.14781	2.3
179.10725	3.2
181.10344	1.7
181.12263	1.7
183.11705	5.2
183.53214	1.4
184.12106	1.3
185.09528	1.8
185.13280	2.7
187.11191	4.4
187.14838	3.4
189.09184	2.6
189.16367	2.3
191.10699	2.4
193.12267	2.1
195.11703	2.1
197.13274	4.1
199.14928	2.2
201.16438	2.6
205.12212	4.5
205.15849	2.3
211.10999	1.7
211.14906	2.3
212.02341	1.7
213.16374	3.0
217.12206	1.8
219.13753	2.4
225.11073	3.5
225.12985	2.4
229.12238	3.3
233.15465	1.6
239.14308	1.7
239.18004	2.9
243.13782	3.0
245.29314	1.5
253.19518	4.7
257.18997	3.7
259.16843	1.8
271.20624	3.5
273.14810	1.5
275.20120	4.2
281.19012	4.2
299.20062	25.5
304.26404	3.0
316.22659	18.9
317.21127	30.5
334.23792	19.3
358.23749	100.0
359.24216	1.8
376.24869	22.5
384.22580	9.8
402.23691	2.9
432.24503	2.0
458.26138	10.3
476.27002	20.1
477.28473	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.5
60.04513	8.7
62.51780	3.2
67.05497	13.8
69.07063	6.8
71.57717	4.0
71.58128	3.8
79.05483	9.5
81.03436	3.5
81.07031	16.8
83.04980	11.8
83.08625	4.6
91.05479	11.0
93.07060	18.7
94.65897	3.0
95.04973	3.1
95.08047	3.6
95.08614	34.7
97.10141	3.4
99.93771	2.8
105.07049	21.7
107.08602	13.7
109.10159	8.1
110.48605	3.2
111.04432	12.6
117.07037	4.0
119.08581	56.6
121.10148	10.1
123.08075	4.1
131.08585	8.9
133.10136	41.3
145.10135	19.6
147.11693	12.9
155.08495	4.8
156.09323	3.3
157.10121	11.7
159.11682	19.7
161.13257	12.1
163.23460	3.1
165.67516	3.5
169.10127	8.1
171.11694	15.1
173.13332	5.4
183.11702	8.1
185.13344	5.3
187.11240	4.9
187.14842	4.8
189.16373	7.6
197.13281	12.0
199.14854	7.2
201.16359	6.7
205.12341	3.7
211.14705	3.9
217.34390	3.2
219.06467	3.8
229.12355	4.0
243.13872	5.4
253.19435	16.8
255.21109	4.1
281.18970	13.9
298.13882	3.4
299.16644	5.2
299.20050	100.0
317.21085	13.8
403.44464	3.3
476.33389	5.5
477.28781	4.2
500.48853	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29815	1.5
55.05505	7.6
55.63343	1.6
57.03436	3.2
57.07068	5.9
62.06094	31.6
65.03938	1.9
67.05515	23.7
69.07063	7.7
70.10451	8.5
79.05493	16.1
81.07061	19.9
83.08654	2.8
83.31612	2.0
85.06563	1.8
91.05476	10.0
93.07048	18.2
95.04935	3.2
95.08609	20.0
98.06064	4.0
98.20793	2.3
98.98453	8.3
105.07039	5.9
107.08589	10.4
109.10188	5.4
119.08591	8.1
121.10154	7.4
127.82325	1.6
131.08528	2.2
133.10115	3.2
135.11684	2.9
142.02673	2.2
145.10207	2.4
147.11667	2.7
149.13287	2.3
151.07578	4.7
158.08092	9.4
159.11618	1.9
161.13315	2.9
165.09097	2.9
189.09091	2.3
197.44760	1.8
198.05206	2.4
204.00693	2.3
207.96265	1.7
216.06311	4.9
224.94498	2.0
243.21088	3.0
261.22156	5.9
263.19263	1.9
304.26419	7.8
327.15924	4.4
335.25806	100.0
336.26270	1.6
340.62567	1.8
345.81799	1.6
415.23041	1.9
429.22647	8.6
458.26419	6.2
476.28708	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	476.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
55.05512	12.6
57.07073	2.6
60.04513	2.0
64.69825	1.7
67.05518	8.8
69.07064	4.8
69.66023	10.7
70.02621	1.4
79.05492	4.8
81.07081	10.8
83.04977	8.9
83.08630	3.5
91.05476	10.4
93.07044	10.5
95.04975	2.3
95.08608	21.8
105.07030	23.2
107.08598	12.7
109.10155	6.9
111.04436	12.1
117.07021	3.7
119.08582	56.2
121.10144	5.2
129.06949	2.1
131.08557	10.2
133.10132	39.2
135.11731	2.6
143.08578	5.6
144.09352	2.4
145.10089	14.2
147.11700	10.8
151.07504	2.5
155.08607	5.0
157.10118	12.0
159.11703	17.8
160.12459	2.4
161.13272	12.5
165.09114	2.0
169.10161	5.5
170.10959	2.0
171.11653	9.8
173.13246	9.3
175.11110	1.9
181.10143	1.9
181.12231	2.7
183.11652	9.9
185.13339	5.7
187.11192	3.0
187.14848	4.9
189.16377	6.9
191.10681	3.8
196.12569	1.7
197.13206	10.5
199.14841	6.0
201.16371	5.2
205.12292	3.9
207.11768	1.8
211.11182	2.4
211.14841	3.2
213.16385	2.5
217.12279	3.0
225.12822	2.1
225.16437	3.4
229.12218	5.1
237.16457	2.0
238.28491	1.6
239.14339	2.8
239.17950	3.9
243.13783	4.5
248.15744	1.7
253.19557	19.3
255.21080	2.8
257.15350	1.7
263.17996	2.3
271.20541	2.3
281.19000	15.5
299.20065	100.0
300.20551	2.9
346.49161	1.9
476.33319	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	476.2771
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
53.03933	1.0
55.05518	7.5
57.03436	6.1
57.65853	0.7
63.16494	0.7
63.59277	0.7
64.12595	0.7
65.03934	1.6
67.05503	29.8
68.78931	0.7
69.07062	7.7
70.06020	4.5
71.05000	0.9
74.88345	0.6
78.33698	0.7
79.05491	12.7
81.07054	22.8
83.08632	2.4
91.05486	5.8
93.07043	12.8
95.04974	1.7
95.08601	19.5
97.10124	1.0
98.06080	1.0
105.07021	3.8
107.08583	6.4
109.10160	6.8
114.96551	1.1
117.07006	1.8
117.67612	0.8
119.08601	2.5
121.10131	4.5
123.11716	2.3
131.08575	1.6
133.10152	2.8
135.11668	2.2
145.10143	1.4
147.11673	1.1
161.13271	0.9
304.26431	7.6
335.25790	100.0
336.26080	1.7
379.04468	0.8
455.13223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.85517	0.4
55.01863	0.7
55.05511	5.0
57.03181	0.6
57.03436	6.0
57.07066	1.4
58.89593	0.4
65.03928	1.4
65.78696	0.4
67.05502	30.1
69.03423	1.0
69.06729	0.5
69.07067	5.6
70.63780	0.7
70.64134	1.4
71.04985	0.7
71.08625	0.7
73.02898	0.5
73.35308	0.5
79.05489	14.4
81.03399	0.9
81.07054	27.2
82.07386	0.9
83.04980	0.6
83.08608	2.3
85.02885	0.8
91.05479	8.8
93.07037	18.3
95.04949	2.3
95.08605	18.3
95.09069	0.3
95.09229	0.5
97.02882	0.7
97.06529	1.6
97.10149	1.3
98.06075	0.6
98.97568	0.5
105.06394	0.6
105.07027	5.7
107.08595	8.9
109.02873	1.9
109.06533	0.9
109.10138	5.7
117.07011	2.8
119.08570	4.5
121.10143	5.5
123.08066	0.6
123.11697	2.0
127.03897	1.3
129.05463	0.6
131.08563	5.0
133.10152	3.4
135.08078	0.8
135.11694	3.7
137.09642	0.7
137.13242	1.0
143.08636	0.7
145.10103	3.3
147.11699	2.2
149.09563	0.6
149.13263	2.2
158.08112	1.6
159.11682	2.2
161.13342	0.7
163.14780	1.7
165.09088	0.5
173.13271	1.9
175.14853	0.6
187.14859	0.9
198.05133	0.6
199.26752	0.4
216.06329	1.1
225.11212	0.7
235.09114	0.7
240.48398	0.4
243.21088	2.0
245.15816	0.5
261.22064	1.8
287.05252	0.7
291.19516	0.8
303.04514	0.5
304.26398	2.9
315.19394	0.6
317.24808	1.3
335.25784	100.0
336.26086	1.9
365.23395	0.5
476.28247	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01865	1.7
55.05499	1.1
57.03416	1.2
61.02912	1.5
62.06075	1.8
65.97691	0.6
67.05499	0.9
69.03428	8.4
69.07060	0.9
69.40026	4.4
69.40436	1.1
71.04986	1.4
71.08627	7.8
72.08138	0.8
73.02912	1.8
79.05481	1.6
81.03419	4.7
81.07066	4.3
83.08608	1.1
85.02905	7.5
86.06068	22.5
87.04484	0.9
88.34489	0.6
91.03935	0.7
91.05469	1.1
93.07043	2.5
95.08553	1.1
96.08131	1.3
97.02895	6.0
98.09695	1.5
99.04441	2.1
99.08091	11.7
101.02379	2.7
105.01892	1.1
105.07021	1.6
107.08605	1.9
108.08102	1.9
108.08852	0.7
109.02885	8.6
109.06528	7.6
109.10127	0.8
110.03211	1.1
111.08073	4.9
116.10724	11.1
119.08571	2.1
120.08807	0.8
121.06537	0.8
121.08891	0.9
121.10135	1.1
123.08039	1.5
125.09626	2.8
126.09959	0.9
127.03917	15.1
127.27260	0.6
128.04254	2.9
133.06511	0.7
133.10172	1.3
134.09637	2.0
135.08022	0.9
135.10452	0.6
135.11647	1.1
137.05994	3.8
138.09077	0.7
142.08588	0.9
142.12303	1.3
143.10683	2.0
145.04982	2.9
147.08066	1.0
152.10672	1.8
155.07034	1.0
161.09499	0.7
162.09999	0.7
170.11737	5.9
173.38683	0.6
179.10634	0.9
180.10161	2.1
198.11256	100.0
199.14932	0.6
207.10188	0.9
208.10419	0.8
216.12317	72.7
225.11240	2.2
226.11554	1.1
243.12320	1.4
261.13370	3.5
296.18384	1.3
314.19666	5.9
329.31940	0.7
360.16565	21.3
378.17566	13.1
428.07120	0.6
476.24747	7.2
476.30960	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	476.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03416	0.8
60.04527	0.7
61.02908	1.5
62.06085	3.3
64.15336	0.6
66.23560	0.7
67.05492	0.9
69.03432	3.1
69.07072	0.7
69.40508	6.2
70.06567	0.6
71.08633	9.3
72.08141	1.1
73.02893	2.0
79.05492	2.0
81.03410	2.3
81.07057	5.2
85.02900	5.7
86.06070	24.5
88.04045	0.9
91.05505	0.9
93.07030	1.6
95.08564	0.9
96.08065	0.8
97.02895	3.1
97.06519	1.2
98.09689	2.7
98.21516	1.1
99.04461	1.2
99.08102	8.5
100.07602	0.9
101.02383	4.5
105.07025	0.7
107.08569	1.4
108.08115	2.4
109.02892	3.5
109.06518	8.8
109.10155	0.7
111.08078	6.3
114.09167	0.7
116.10736	12.7
119.08572	1.5
121.06509	0.6
121.08880	0.8
124.07568	0.6
124.11222	1.1
125.09618	0.8
127.03926	5.8
128.04256	0.6
133.06526	0.7
133.10146	0.9
134.09641	2.2
135.08043	0.9
136.07541	0.8
137.05972	6.0
138.45058	0.7
140.10744	0.6
142.12276	1.1
143.10674	6.1
145.04939	1.9
147.04341	0.6
148.67767	0.7
152.10678	2.7
155.07063	1.2
167.07021	0.7
170.11784	6.4
180.10228	3.0
198.11264	100.0
199.11659	1.0
214.18086	1.1
216.12317	71.0
225.11272	1.9
233.84149	0.6
243.12314	1.0
261.13266	1.3
296.18549	1.9
314.19620	52.2
315.19974	1.4
347.89182	0.7
360.16516	10.3
378.17575	6.8
458.30994	0.9
476.25085	4.4
476.31543	1.0
499.57700	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05494	2.4
60.50356	0.8
63.54765	1.1
69.03422	3.1
69.07076	6.9
69.40044	9.1
70.44694	1.0
79.05498	1.3
81.03404	4.1
81.07037	2.6
83.08605	1.6
84.08116	1.0
85.02907	8.7
87.00809	3.3
91.05460	1.1
93.07037	1.6
95.08606	3.8
97.02885	4.1
99.04484	1.4
105.01870	4.3
105.07013	5.4
107.08604	2.8
109.02884	3.1
109.10165	1.9
109.72543	1.2
119.08587	25.4
121.10118	2.2
127.03940	6.7
127.86966	0.9
128.07109	1.1
133.10141	23.0
135.11679	1.7
145.04997	3.1
145.10194	1.3
147.11693	3.9
159.02887	2.1
160.12482	1.2
173.13255	1.1
175.14839	100.0
177.16434	1.9
193.15900	4.8
231.04895	1.5
303.71179	1.1
359.23120	5.8
359.73401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01877	1.5
55.05527	1.0
57.03447	1.0
57.33728	0.5
60.04528	1.2
61.02935	1.1
62.05876	0.4
62.06100	4.0
67.05487	1.3
69.03434	4.6
69.07063	0.7
70.02947	1.2
70.87157	1.7
71.05006	0.7
71.08636	8.6
73.02930	1.5
74.30487	0.5
79.05497	1.9
81.03437	2.5
81.07063	5.6
83.08619	0.5
84.08173	0.7
85.02905	5.3
86.06072	24.7
88.04013	0.6
91.05482	2.5
92.16876	0.6
93.07062	2.0
95.04988	0.9
95.08606	1.5
96.08131	1.1
97.02920	3.3
97.06541	0.6
98.09721	3.5
99.04465	1.8
99.08100	7.7
100.07608	0.6
101.02387	3.9
105.07016	1.6
107.08602	2.0
108.08135	2.2
109.02882	3.5
109.06521	8.7
109.10154	1.0
110.03265	0.8
111.08094	6.5
116.10738	12.0
119.08613	1.4
121.08872	0.8
124.07630	1.0
124.11235	0.9
125.09648	0.9
127.03919	6.8
128.04233	0.6
131.04982	0.5
133.06499	0.7
133.10150	1.3
134.09633	3.0
135.08090	0.7
137.05977	5.8
138.09123	1.3
139.07631	0.7
142.08635	1.0
142.12276	1.8
143.10677	7.1
145.04999	1.5
146.10475	0.6
147.08098	0.5
149.13351	0.6
152.10652	3.0
154.08582	0.6
160.13335	1.2
167.07037	1.2
170.11760	6.5
175.07571	0.9
175.14821	1.2
180.10251	3.4
181.04939	0.9
198.11270	100.0
199.11600	1.8
214.18027	1.5
216.12325	73.7
217.12666	0.7
225.11292	1.5
253.67805	0.5
261.13351	1.7
270.53091	0.5
296.18533	2.6
314.19629	53.1
315.19958	1.5
334.05621	0.6
341.16934	0.6
360.16574	8.9
378.17639	6.0
476.19138	1.3
476.25375	3.2
476.31537	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06595	1.9
67.05491	3.2
71.59612	3.1
79.05504	3.2
79.57230	2.0
91.05480	5.5
93.07034	3.9
95.08575	2.3
97.06590	2.0
99.23576	1.9
101.05934	1.9
102.14302	2.1
103.05474	4.6
105.07039	4.8
107.04940	8.7
109.02919	3.6
115.05460	4.4
117.07011	2.5
119.08589	7.6
129.31241	2.1
130.04179	2.9
131.04942	5.0
132.05760	3.3
133.06458	2.6
133.10152	2.4
135.08034	5.3
136.05170	7.4
137.05994	8.5
141.07033	2.8
145.06477	4.9
151.07545	35.9
155.08612	2.2
160.05208	23.9
161.05980	4.7
162.47737	1.9
163.07558	17.6
165.09106	3.3
169.06491	4.5
175.06020	4.8
175.07555	100.0
176.08328	6.0
177.09128	7.6
201.09120	12.5
205.10161	2.3
221.09628	3.3
225.11427	2.9
233.09650	6.8
237.09076	4.1
247.07562	4.1
247.11234	5.7
248.08160	3.7
248.12041	4.6
249.09109	8.0
251.10672	4.6
261.09131	6.1
261.11432	3.2
263.10742	5.5
264.07831	3.6
264.11441	6.0
265.08557	7.3
266.09525	2.8
267.10214	3.7
275.10638	4.1
276.11481	6.1
277.08734	4.9
277.12170	3.2
279.10172	11.2
279.13733	6.9
280.10916	6.6
281.08044	3.5
281.11520	2.2
283.09769	2.5
283.77927	2.4
292.10983	6.7
293.11789	11.8
298.12100	3.1
307.13382	31.1
308.13928	11.7
309.11221	3.7
310.11841	3.3
311.12772	48.5
312.13260	2.2
324.13580	5.6
326.41666	2.3
339.15912	50.1
342.14673	10.7
344.52356	2.3
356.15720	2.8
357.17004	2.2
368.16095	11.2
381.17026	2.6
399.18051	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	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01866	4.3
57.03438	47.0
59.04991	1.1
60.04515	2.5
61.02647	1.4
61.02933	15.6
69.03432	40.5
69.55884	6.2
69.56293	2.6
70.06584	1.6
71.01355	4.6
71.04982	2.7
73.02920	100.0
79.05479	1.2
81.03433	5.7
81.07067	2.8
84.04501	1.4
85.02908	70.2
86.09735	1.1
87.04477	7.1
91.03978	2.3
96.04519	1.4
96.87325	1.0
97.02894	56.5
98.06020	1.1
99.04460	2.9
103.03930	5.7
103.05481	1.7
105.07034	14.4
107.04964	4.0
109.02876	7.7
115.03933	52.9
124.05213	20.6
126.05542	1.6
127.03922	24.0
132.06595	1.9
133.04973	19.4
133.06470	10.4
133.10103	2.0
137.05972	17.4
144.06546	5.4
145.04953	24.0
150.07655	5.7
162.07611	3.1
163.03889	1.2
163.06047	9.0
165.09117	73.6
180.08670	3.3
189.09122	2.9
193.05023	1.7
193.08586	1.2
201.09105	2.5
223.06064	4.2
226.47887	1.2
228.36191	1.1
241.07050	5.3
243.10136	1.3
259.08026	5.4
261.11234	4.8
276.10699	1.7
295.10120	1.9
301.60086	1.4
398.42621	1.2
404.46115	1.3
476.21664	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.05513	7.1
56.05011	3.9
56.30241	3.8
56.96571	4.3
57.03436	45.6
58.06602	8.4
61.02926	14.1
66.33197	5.0
67.05500	11.2
69.03430	68.6
70.06613	7.9
71.01366	5.1
71.04995	35.1
71.05903	4.6
71.06236	9.2
73.02919	85.4
79.05496	11.7
81.03403	22.4
81.07040	11.8
83.04993	5.7
85.02908	100.0
86.09703	10.2
87.00814	8.4
87.04459	26.9
91.04004	5.1
91.05489	28.2
93.07055	33.6
95.04981	4.5
95.08594	19.6
97.02888	74.3
97.06516	4.7
99.04462	11.3
100.90173	4.5
103.05434	5.3
105.01898	8.7
105.07021	52.4
107.08604	8.1
109.02885	17.0
109.10145	6.5
115.03928	75.7
115.04731	5.7
119.08575	35.5
121.06519	4.6
121.10188	8.3
123.11705	7.4
124.05225	14.3
127.03909	40.5
129.07001	7.0
131.08578	24.6
133.04965	40.8
133.06519	19.0
133.10141	74.9
137.05949	16.6
145.04971	29.8
147.11685	18.8
150.07788	5.2
151.07611	4.1
157.10178	11.4
159.02901	7.6
163.03893	12.4
163.05972	9.0
165.09123	66.3
175.11177	50.3
189.09038	4.2
193.12257	60.7
193.15868	6.0
211.13280	66.5
218.18477	4.2
223.06026	7.8
231.05022	7.9
241.07004	8.5
259.08398	4.6
261.11002	5.9
278.10117	4.5
298.06320	4.6
396.86185	5.3
403.87778	4.6
455.11530	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01874	2.9
57.03438	46.0
59.04997	1.4
60.04523	1.5
61.02927	16.8
69.03429	41.0
70.06593	0.6
71.01006	0.5
71.01361	5.7
71.04993	2.7
71.11348	0.6
71.11664	0.5
72.04510	0.8
73.02918	100.0
74.03293	0.4
75.04494	0.4
79.05489	1.2
81.03414	5.0
81.07056	0.8
83.01360	0.5
83.04996	0.5
84.04500	0.6
85.02906	65.8
86.09665	0.5
87.04475	5.7
88.76285	0.3
91.03948	3.5
91.05487	1.2
93.07069	0.7
95.04987	0.8
96.04482	0.7
97.02893	65.3
98.06049	1.0
99.04455	3.1
101.02380	0.8
103.03944	1.6
103.05473	0.9
105.07033	14.1
107.04996	0.5
109.02870	7.9
109.06509	0.9
109.22405	0.4
110.25509	0.4
114.05492	0.8
115.03932	60.9
119.08567	0.5
121.06497	0.5
124.05212	21.4
125.02322	0.4
126.05515	1.1
127.03915	21.5
129.06929	0.5
131.04887	0.5
132.06575	2.9
133.04959	17.6
133.06483	12.3
133.10097	0.5
135.04437	0.6
137.05978	22.5
141.52588	0.4
144.06575	5.7
145.04958	24.1
150.06779	0.4
150.07646	3.8
154.94916	0.4
157.05017	0.7
157.06470	0.4
162.07651	4.6
163.03931	3.0
163.06003	6.5
164.04268	0.4
165.09117	76.4
166.09419	1.2
175.07547	1.1
177.08989	0.5
180.08672	4.7
187.07545	0.8
189.09193	2.4
191.52942	0.5
193.04965	2.0
199.06021	0.5
199.07634	0.5
201.09129	1.9
205.08591	0.5
207.10101	0.8
217.06961	0.9
219.10135	0.3
223.06009	5.4
225.09096	0.5
231.10129	1.3
241.07072	7.4
243.10107	1.7
259.08087	4.3
261.11212	3.8
276.10849	0.8
277.08975	0.5
294.11868	2.1
295.10242	2.7
312.12796	1.3
476.20871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1921
Annotation	Dauricoside
Peak:m/z	Relative Intensity
53.03899	1.2
53.34709	0.4
55.01851	0.6
55.05496	0.9
56.05011	0.5
58.06583	0.4
60.04539	4.0
63.02357	0.6
65.03916	0.5
67.05508	2.8
69.03396	1.8
69.07052	1.2
69.35929	1.0
69.36337	3.7
70.06566	0.9
71.04970	1.0
72.08142	0.7
79.05494	2.6
81.03387	1.3
81.06654	0.3
81.07059	3.1
82.06535	1.4
83.04957	1.3
83.08614	0.7
84.08158	4.6
85.02910	3.1
85.06503	0.9
86.09683	0.9
89.03914	2.9
91.05484	5.4
93.07052	9.4
94.06532	1.5
95.04974	3.5
95.08600	3.3
97.02839	1.7
97.06497	1.0
97.10143	0.4
99.04433	0.7
101.05966	0.5
103.03921	0.6
103.05461	5.3
105.06987	1.5
107.08569	1.3
108.05189	0.4
108.08145	0.6
109.02882	1.0
109.06503	0.6
109.10108	1.1
110.09674	1.0
111.08039	0.6
117.03387	11.8
119.04904	0.8
119.08540	1.3
120.08106	1.0
121.06516	42.8
121.10088	1.8
122.06034	0.7
123.11732	0.5
126.09113	0.8
127.03902	1.7
129.07867	2.4
131.04959	0.8
133.06508	0.7
133.10191	0.9
134.03635	0.9
134.99611	0.4
135.04362	1.1
135.11694	0.6
136.07535	2.8
137.05989	0.9
138.09129	4.5
139.07530	0.5
144.09129	0.8
144.10208	10.8
145.02856	46.3
147.04427	2.6
147.11691	1.2
149.05995	2.7
149.09615	0.5
149.13200	0.6
152.07037	0.5
154.08607	2.1
156.10240	2.7
163.03894	1.1
167.06989	0.5
170.08188	1.0
174.11249	0.7
175.14775	0.4
177.05481	100.0
178.05844	0.7
181.06584	0.4
186.05544	1.6
194.08237	0.8
209.15399	1.6
210.15822	2.1
212.63950	0.4
228.16972	0.5
314.13882	85.4
315.14322	1.5
422.29132	1.8
440.30148	4.9
458.31165	5.9
475.32666	3.1
476.18964	11.8
476.32993	24.1
477.23727	0.6
504.17865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01866	3.1
57.03420	1.7
57.36081	1.2
61.02908	1.3
69.03440	5.9
71.04967	1.6
71.52003	1.9
73.02919	3.2
74.39689	1.3
79.05494	3.7
81.03415	8.1
81.05936	1.1
85.02911	16.8
87.00838	6.3
87.54016	1.1
91.05468	3.0
97.02895	7.1
99.04459	2.8
103.05452	3.0
105.01868	4.7
105.07040	49.3
108.04472	4.1
109.02880	6.1
112.95183	1.2
115.05446	9.5
118.04195	2.9
127.03916	11.7
133.06500	48.1
138.50525	1.1
143.04999	1.5
143.06061	2.9
145.04971	5.0
147.02911	1.4
159.02866	3.9
161.05991	100.0
193.08618	92.4
194.08945	1.5
197.90344	1.3
211.09608	2.0
232.54146	1.2
246.44147	1.2
248.07584	2.5
255.73474	1.4
492.00677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46798	0.6
53.03926	2.3
53.04177	0.6
55.01868	3.2
55.05495	1.2
55.35280	0.6
56.96561	0.7
57.03423	2.4
57.07048	0.7
60.04509	1.2
60.08142	2.3
61.02900	0.8
67.05490	2.6
68.99809	0.8
69.03093	0.7
69.03430	9.9
69.07075	3.1
69.54018	0.6
69.93254	1.3
69.93662	3.1
70.03804	0.6
70.06587	1.3
71.04979	2.2
71.11349	0.6
72.08150	0.9
73.02901	2.4
79.05503	6.2
81.03417	7.7
81.07056	4.6
82.11384	0.7
83.08620	0.8
84.04530	0.9
85.02907	23.0
85.06527	1.1
86.09702	1.1
87.00831	5.3
87.04459	2.5
89.03932	1.9
91.05482	4.9
93.07043	11.1
95.04982	3.1
95.08602	3.5
97.02364	0.9
97.02893	9.7
97.06543	1.5
98.21457	0.8
98.97570	2.4
99.04444	2.8
102.09156	1.2
103.03941	6.4
103.05458	5.7
105.01893	3.1
105.07032	53.6
106.07342	1.4
107.04951	1.0
107.08593	12.0
108.04462	3.4
109.02879	6.0
109.06470	1.0
109.09478	0.8
109.10162	12.5
110.97548	0.9
115.03948	2.0
115.05456	11.6
116.98587	1.6
117.01880	0.8
117.03333	0.8
117.07038	0.8
118.04156	2.7
119.05025	0.9
119.08556	2.8
120.08924	0.8
121.06475	1.2
126.05492	1.3
127.03921	11.8
131.04910	1.8
133.06493	52.0
133.10127	2.5
134.06827	0.8
134.10458	0.8
134.99709	1.2
135.11714	5.2
137.05930	1.2
143.00232	1.0
143.04947	1.3
143.06035	2.7
144.06526	0.9
145.02872	6.0
145.04927	3.4
147.04414	2.1
147.08037	2.6
149.05948	0.9
149.09673	1.0
153.12759	1.2
158.99657	1.0
159.02882	3.3
161.05983	100.0
162.06271	0.8
162.11253	3.4
163.11159	1.0
164.11588	1.0
177.00722	1.6
177.05498	11.9
177.06973	0.6
178.06090	0.8
191.14351	0.7
193.08607	91.1
194.08861	1.2
200.12781	1.2
201.00638	0.8
211.09659	2.0
219.01805	1.0
231.05096	1.5
248.07576	1.5
249.02898	0.8
266.08435	1.0
272.10876	2.8
272.61118	1.1
279.08838	0.9
280.10852	1.2
280.60855	2.4
281.11261	1.5
290.09134	1.6
476.28574	62.3
494.40295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03440	13.1
59.04995	4.3
60.04522	2.2
61.02923	2.7
63.68859	1.4
69.03431	52.6
71.06895	3.2
73.02902	2.2
75.04480	1.8
79.05493	1.8
81.03416	5.8
85.02425	2.8
85.02906	42.4
87.00816	4.3
87.03939	1.8
87.04469	31.6
91.05480	4.3
97.02891	39.6
99.04427	2.0
103.05470	2.2
103.68438	1.4
105.01853	3.1
105.07030	23.4
109.02877	4.1
109.34460	1.6
115.03936	50.3
115.05462	3.4
118.04134	2.0
119.04940	17.8
123.04444	1.5
127.03997	7.9
133.04973	50.3
133.06471	19.9
145.04968	8.0
147.04420	100.0
150.07616	18.2
161.05988	46.1
161.07028	0.9
165.05482	48.0
175.68318	1.5
177.05507	1.7
180.08678	3.4
189.05492	7.2
193.06839	2.1
193.08621	43.0
207.06573	9.9
224.35986	1.6
243.06505	3.6
261.07578	2.3
279.08652	3.6
312.12784	1.6
402.61130	1.8
476.28851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.7
56.01363	2.5
56.54969	1.9
57.03429	7.8
59.04979	2.5
60.59080	1.9
69.03429	28.4
69.96516	8.1
72.08181	2.8
73.02912	2.6
73.72359	1.9
81.03410	4.1
84.04442	2.0
85.02909	33.8
86.09693	5.3
87.04472	17.8
91.05453	4.7
95.01324	20.3
95.04967	6.2
97.02892	26.6
98.20835	2.6
103.03939	2.3
103.05518	3.7
105.01785	1.8
105.07031	6.0
107.04961	4.0
109.02893	3.1
111.04411	3.0
115.03929	32.3
115.05438	2.1
117.01816	2.7
119.04955	16.4
120.64709	1.9
121.02803	3.4
121.06496	3.0
123.04424	24.6
123.51446	1.7
127.03921	11.8
131.04935	12.3
133.04974	27.8
133.06485	29.4
136.06342	1.9
145.04950	4.1
145.06491	34.5
147.04414	100.0
148.04837	2.4
149.05928	5.2
150.07672	9.7
157.06496	6.2
159.04430	2.7
159.08012	4.1
161.05972	29.0
163.03931	2.1
165.05478	39.5
169.06503	5.3
171.04529	8.8
171.08076	4.5
173.05978	52.9
175.03946	3.4
175.07553	6.9
176.57892	1.9
185.06004	13.5
187.07550	7.4
189.05455	11.8
191.07010	6.3
193.08630	13.4
197.06026	18.8
199.07585	10.4
201.05467	17.4
207.06555	10.4
215.07043	37.9
217.05037	2.2
217.08687	2.2
219.06528	49.9
231.06520	4.5
233.08080	22.7
237.07610	4.3
243.06537	38.5
261.07599	56.4
279.08636	55.1
280.08752	2.3
294.19336	2.0
308.63223	2.1
413.02539	1.9
432.09543	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36992	3.3
59.64332	3.3
64.30132	3.4
64.44326	3.0
67.26456	2.9
70.72987	11.5
82.91869	3.5
83.26096	3.4
86.87836	3.2
93.68920	3.3
107.29045	3.8
120.66719	3.1
140.21007	3.7
141.13774	3.8
247.24403	3.7
273.28214	3.8
417.46179	3.9
475.32721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03716	0.4
53.03939	2.1
55.01877	0.8
55.05510	1.7
57.03432	0.4
57.07079	0.4
65.03947	0.4
67.05505	4.7
67.66109	0.2
69.03422	2.3
69.07065	1.3
70.14191	1.2
71.04991	1.4
75.61493	0.2
79.05496	2.9
81.03417	8.3
81.07061	5.6
83.01360	0.7
83.04997	1.4
83.08642	0.8
85.02918	0.7
91.05485	3.4
91.06012	0.3
93.07043	3.9
95.04960	1.2
95.08604	5.9
97.02901	3.1
97.06547	0.6
97.10188	0.6
99.04451	1.8
99.70984	0.2
105.07025	4.3
107.04943	1.6
107.08591	3.4
109.02879	20.8
109.06551	1.8
109.10152	6.4
109.10905	0.3
110.03183	0.3
111.04432	0.8
111.08091	1.4
113.06020	0.4
113.09628	0.4
115.05469	0.3
115.07505	0.3
117.07011	0.7
119.08578	8.3
121.06534	0.8
121.10144	3.3
122.07310	1.3
123.04421	0.3
123.08075	2.3
123.11726	1.5
124.08794	0.3
125.09628	12.2
127.03918	34.5
128.04259	0.6
129.06976	0.4
131.08577	0.9
133.06474	1.6
133.10132	5.1
135.08101	0.6
135.11676	1.3
137.06021	0.4
137.09616	11.2
139.07549	0.3
139.11276	0.3
143.08537	1.0
145.04962	2.7
145.06435	0.7
145.10139	1.0
147.08051	3.4
147.11693	0.6
149.06000	0.3
149.09589	1.7
149.13263	0.8
151.07547	0.7
151.11169	0.8
151.14789	0.5
157.10089	0.6
159.08089	0.4
159.11673	0.5
161.06059	0.3
161.09622	3.3
163.07495	0.3
163.11168	1.1
163.14883	0.5
165.09109	100.0
166.09436	0.7
167.07034	1.0
169.09993	0.3
173.09607	0.4
175.11118	0.4
175.14703	0.4
177.09084	0.8
179.10664	3.5
181.04910	0.6
181.12318	0.3
185.09605	0.3
185.13254	0.3
189.09084	2.4
189.16539	0.3
190.09785	0.3
191.10692	0.3
193.12228	0.5
205.12256	3.6
207.10153	3.5
216.92230	0.2
219.13797	0.3
225.09004	0.5
225.11206	8.2
227.12740	0.8
231.13800	0.3
233.08041	0.3
239.18095	0.3
251.23708	0.3
259.24146	0.5
271.16757	0.3
285.18393	0.4
289.17752	0.4
303.19360	0.5
305.24722	0.3
313.17850	0.8
315.12390	0.3
323.25662	1.0
331.19009	1.5
333.13260	0.3
334.72089	0.3
349.19922	0.8
351.14352	1.3
374.00256	0.3
383.22104	1.2
387.14209	0.8
401.23065	0.6
412.32944	0.3
415.13745	0.3
429.33347	0.8
433.78058	0.2
439.31659	0.3
457.21628	0.8
457.26315	0.5
457.31723	0.4
475.26611	2.5
475.33829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86092	4.4
84.88063	1.4
95.08616	1.8
126.50729	1.7
137.70699	1.5
166.55898	1.7
200.22710	1.4
236.95769	1.5
250.53929	1.5
280.76132	1.5
332.58859	1.9
363.17789	1.7
469.73486	1.5
475.32635	100.0
476.33066	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01874	7.0
55.05512	19.3
57.03428	5.0
59.04993	1.7
65.03940	2.1
67.05507	22.2
68.81511	1.0
69.03438	8.0
69.07069	6.0
70.64735	3.5
71.04989	4.9
74.45798	1.0
79.05495	23.8
79.63758	1.2
81.03419	26.2
81.07063	18.5
83.01337	1.3
83.04977	5.4
83.08624	11.2
84.58913	1.2
85.02908	2.3
85.06536	1.3
91.05481	19.6
93.07050	19.6
95.04974	13.0
95.08609	18.0
97.02882	7.9
97.06547	4.0
97.10181	14.0
99.04462	2.7
105.07040	20.8
107.04967	9.6
107.08595	17.3
109.02883	45.6
109.06503	5.4
109.10163	9.4
111.04471	2.0
111.08095	4.1
115.05480	2.6
117.07025	9.8
118.38582	1.0
119.04961	2.8
119.08577	18.3
121.02866	2.5
121.06535	8.9
121.10146	10.4
123.04464	1.7
123.08096	6.5
125.02385	3.1
125.09628	28.5
127.03918	70.7
128.06204	2.3
129.06993	8.0
131.04910	5.2
131.08560	8.5
133.06482	8.3
133.10123	14.0
135.08054	4.5
135.11687	6.9
137.05984	2.4
137.09634	3.2
141.07011	3.5
143.08563	6.8
145.04993	3.5
145.06497	9.0
145.10132	9.0
147.04407	4.6
147.08044	9.2
147.11749	3.5
149.05943	1.8
149.09625	3.7
151.07632	1.7
153.09146	2.6
155.08588	4.6
157.06544	3.2
157.10179	5.2
159.04498	1.6
159.08093	3.5
159.11743	3.5
160.05219	2.0
161.06000	18.4
161.09648	8.6
163.07573	2.8
163.11189	7.5
165.09114	8.1
167.07126	2.8
167.08592	2.5
168.09398	1.3
169.06509	2.3
169.10184	3.1
171.08112	4.2
171.11617	1.3
173.05986	5.3
173.09564	6.9
173.11754	1.2
173.13188	1.6
175.07573	1.8
175.11198	3.0
175.82918	1.1
179.08609	1.2
179.10706	4.4
181.04993	2.8
181.06497	1.3
181.10150	1.6
183.08069	1.9
183.11705	3.0
185.09663	2.1
185.13295	2.8
187.07562	2.5
187.11243	2.7
189.09157	4.8
189.11211	3.5
189.12756	1.2
191.10693	1.5
193.10422	2.6
193.12282	2.9
195.11729	1.5
197.09676	3.2
197.13263	2.3
199.11252	1.6
199.14850	1.5
201.09076	1.9
201.12759	1.5
203.14320	2.2
205.12376	1.4
207.10149	7.9
211.11226	3.9
213.09169	1.2
213.12833	2.6
215.10759	1.7
223.11255	1.5
225.11075	10.7
225.13126	1.5
227.12697	6.3
229.12202	1.6
231.13885	3.9
237.11053	1.4
243.13940	4.1
247.13353	1.1
249.14880	2.4
253.16122	1.2
257.15164	1.5
269.15475	2.9
271.13342	4.3
271.17032	1.5
273.14948	3.7
285.14944	2.0
287.16605	1.4
289.14426	10.5
303.16040	2.4
313.18127	2.5
331.19211	4.1
337.21713	1.6
347.13434	1.3
347.20132	2.4
351.14505	2.7
351.31418	1.3
355.22687	4.1
365.21140	7.2
375.29333	1.2
383.22177	52.0
387.14536	2.1
401.23279	18.1
403.22794	1.8
419.24335	3.0
421.24139	3.6
431.24594	3.1
439.24857	6.0
457.25931	47.8
475.27048	100.0
476.27222	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.0
55.01629	1.8
55.01872	27.2
55.05508	8.2
57.03436	7.2
57.07056	4.0
61.02929	5.7
67.05505	14.4
68.99776	3.4
69.03429	32.1
69.07066	14.5
69.91844	5.9
71.04993	88.9
73.02912	6.4
73.03248	1.1
79.05483	10.2
81.03416	33.0
81.07061	24.7
83.04973	2.1
83.08616	12.9
85.02903	64.6
85.06544	15.2
85.12604	1.0
87.00828	26.1
87.04449	2.0
91.03934	2.3
91.05466	6.0
93.07040	18.9
94.78583	1.1
95.04964	23.3
95.08609	31.4
97.02894	23.7
97.06528	100.0
97.10153	3.6
99.04453	13.3
99.08109	5.1
100.38776	1.1
105.01865	16.7
105.07038	7.1
107.08589	18.6
109.02876	35.2
109.06533	1.9
109.10152	30.4
111.08070	4.6
113.05984	1.2
113.09647	2.0
117.01836	4.9
119.08597	6.6
121.06532	1.4
121.10147	13.6
123.08072	1.7
123.11703	11.6
125.05988	2.0
125.09623	7.0
125.13389	1.2
127.03915	61.6
127.11190	3.2
129.01825	4.1
131.08574	2.5
133.10109	5.2
135.07965	1.3
135.11690	17.5
137.05934	3.5
137.13164	1.4
139.07535	4.9
139.11180	3.0
145.04961	16.5
145.10138	3.0
147.02875	3.9
147.08055	3.8
147.11673	4.2
149.09613	1.5
149.13260	8.1
151.07430	1.3
151.11130	1.4
151.14778	1.2
153.12726	2.9
154.94366	1.0
155.08656	1.1
159.02892	16.6
159.11678	1.6
161.09639	2.4
161.13226	1.9
163.14799	4.0
165.09097	3.6
165.16386	3.2
167.07019	1.5
167.14357	1.3
173.13232	1.7
177.09076	1.4
177.12706	1.1
187.14836	1.6
189.03978	1.6
189.09187	2.5
189.16397	3.0
191.10693	4.9
191.17946	17.7
204.07739	1.1
207.10068	1.4
207.17427	4.0
209.19000	46.1
213.03979	2.9
215.17941	2.3
225.11230	2.4
227.20055	30.9
231.04976	9.0
233.19083	7.6
249.06023	1.2
251.20036	10.5
259.17166	1.1
269.21161	2.5
284.88434	1.1
287.20169	2.4
293.20984	2.0
299.20081	5.5
311.22079	2.5
317.21063	11.5
331.18936	1.9
439.23047	1.2
442.87051	1.2
457.24030	1.0
475.26108	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01880	1.7
55.05517	2.6
57.03435	1.1
65.03954	0.8
67.01873	0.8
67.05511	5.6
69.03429	6.3
69.03766	0.7
69.07070	2.1
69.72556	3.3
71.05013	3.1
73.02948	0.7
78.21144	0.6
79.05497	4.5
81.03422	17.8
81.07062	9.2
83.01348	1.3
83.04974	1.1
83.08611	1.3
85.02898	1.6
91.05480	7.6
93.07053	6.6
95.04960	1.4
95.08620	8.4
97.02889	9.4
97.10175	1.1
98.21455	0.7
99.04450	3.6
102.17426	0.6
103.05409	0.7
105.03409	0.9
105.07034	8.8
107.04967	2.0
107.08601	9.5
109.02885	56.8
109.06535	3.8
109.10163	6.9
110.03196	0.8
111.04435	1.7
111.08096	3.2
113.17216	0.5
115.03928	0.6
117.07004	1.5
119.04953	0.8
119.08585	19.3
121.06524	1.9
121.10162	7.3
122.07317	1.5
122.48709	0.5
123.04407	0.9
123.08075	5.5
123.11729	2.4
124.08874	0.8
125.09636	31.1
127.03922	100.0
128.04263	1.4
129.06950	0.8
130.07761	0.7
131.08559	1.6
133.06493	2.1
133.10133	11.7
135.08055	1.6
135.11702	1.9
137.06004	0.9
137.09625	9.2
143.08572	1.7
145.04962	8.1
145.06076	0.7
145.06557	0.7
145.10152	2.2
147.04420	0.7
147.08052	5.7
147.11708	1.0
148.08423	0.6
149.09641	2.5
151.07526	1.9
151.11160	1.9
153.09087	1.0
157.10159	1.6
159.11707	1.1
161.09627	9.6
163.07526	1.2
163.11220	2.0
165.09120	93.9
166.09480	1.2
169.10010	0.8
171.08070	0.7
171.11667	1.0
173.09647	0.9
173.13284	0.9
175.11192	1.7
177.09164	1.6
179.10677	5.8
181.04912	0.8
181.12292	0.7
185.13333	0.7
189.09085	6.9
191.66052	0.6
197.09712	0.7
201.12718	0.7
203.10683	0.7
203.14246	0.6
205.12233	3.3
207.10197	10.6
215.10608	0.6
225.11223	20.7
226.11617	0.8
227.12755	0.7
229.15781	1.0
271.16986	1.3
285.18469	1.5
289.14044	0.7
289.17816	1.0
303.19534	0.7
313.17905	2.1
323.25430	0.8
331.19092	3.9
333.13284	1.2
349.20264	1.5
351.14261	2.6
383.22067	2.6
401.23395	0.7
424.10147	0.7
457.21707	1.8
457.26501	1.1
457.31784	0.7
475.26495	4.3
475.33536	1.3
497.38562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55125	0.8
53.03941	4.6
55.01859	3.8
55.05510	11.6
56.96552	1.2
57.03431	2.7
65.03920	2.0
67.05504	14.8
69.03425	7.9
69.07057	3.9
71.04987	4.3
71.58212	1.2
79.05487	16.7
81.03415	22.2
81.07052	17.7
83.01341	2.2
83.04995	4.5
83.08623	5.2
85.02911	1.3
85.06541	1.2
91.05473	14.3
93.07036	15.0
94.19129	0.9
95.04962	7.3
95.08599	12.6
97.02897	10.5
97.06526	2.1
97.10162	5.5
99.04449	4.6
103.05488	1.5
105.07023	15.6
107.04958	5.8
107.08591	13.0
109.02878	55.0
109.06516	5.0
109.10166	6.5
111.04435	3.5
111.08085	4.0
113.06030	1.1
115.05449	0.9
117.07009	5.5
119.04948	1.9
119.08579	20.7
121.06539	4.2
121.10149	11.2
123.04417	1.0
123.08081	8.5
123.11679	1.9
125.02370	1.1
125.08872	0.8
125.09625	38.5
127.03911	100.0
128.04257	0.9
128.06216	1.4
129.07001	3.9
131.04935	2.3
131.08539	5.4
133.06506	4.1
133.10117	16.0
133.11087	1.6
135.08069	3.6
135.11681	4.2
137.05943	1.5
137.09613	2.9
139.07515	1.0
142.07719	1.1
143.08551	5.4
145.02872	0.9
145.04947	6.9
145.06485	3.3
145.10107	6.5
147.04417	2.6
147.08018	8.2
147.11713	2.1
149.06044	1.5
149.09593	3.0
151.11195	2.0
155.08577	2.6
157.06506	2.5
157.10162	3.7
158.08180	1.4
159.08095	1.6
159.11705	2.8
160.05170	1.3
161.06020	8.5
161.09621	11.8
163.07503	1.0
163.11195	4.9
165.06966	1.3
165.09105	12.5
169.10182	2.3
171.08098	2.5
171.11652	2.2
173.06006	2.0
173.09616	2.9
173.13275	1.6
175.07607	1.7
175.11195	1.8
179.10663	5.7
181.10126	1.7
183.08093	1.3
183.11755	2.5
185.09622	2.1
185.13165	1.1
187.07535	0.9
187.11218	1.9
189.09116	8.9
189.10849	1.3
191.10658	1.8
193.12265	1.8
194.10709	0.8
197.09702	1.7
201.12788	1.4
204.70079	0.9
207.10129	10.2
211.11194	2.3
213.12839	1.6
215.14276	1.0
225.11162	22.8
227.12610	1.4
227.14584	1.1
231.13914	2.0
237.11147	1.0
243.13802	2.0
262.23969	1.0
269.15265	2.0
271.13699	1.5
271.16882	1.7
273.14893	3.0
285.18576	1.4
289.14426	5.5
289.17831	1.7
313.17957	1.4
331.19083	5.5
333.13522	1.0
334.23901	1.0
349.20059	2.4
351.14450	3.6
355.22751	2.3
358.23898	2.1
365.20914	4.2
383.22177	24.8
401.23141	9.0
403.22424	1.0
419.24475	1.4
421.23480	1.5
431.24438	1.9
439.24759	2.6
457.26190	21.5
469.53296	0.9
475.26996	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03939	4.5
55.01862	1.2
55.05497	1.0
57.03419	1.0
57.15685	0.5
59.04990	0.5
67.05494	1.6
67.28386	0.6
68.31974	0.5
69.03429	5.8
69.07063	0.8
71.04992	2.8
71.46388	0.9
79.05466	2.8
80.81602	0.5
81.03413	20.5
81.07059	4.6
83.01333	1.8
83.04953	0.6
83.08609	0.5
85.02911	0.9
91.05463	5.0
93.07028	6.5
95.04964	1.4
95.08598	3.4
97.02879	8.3
99.04449	3.7
105.07029	8.4
107.08585	8.3
109.02873	58.7
109.06510	3.1
109.10150	1.8
111.04421	1.5
111.08099	2.8
113.06011	0.5
116.59870	0.5
117.06989	0.9
119.08568	15.8
121.06502	2.1
121.10140	7.3
123.08066	6.7
123.11707	1.7
124.08851	0.9
125.09623	37.9
126.09968	0.8
127.03909	100.0
128.04167	0.8
128.06230	0.7
131.08585	1.1
133.06456	1.2
133.10127	13.0
135.08022	0.7
135.11690	1.8
137.05949	0.6
137.09627	2.0
141.08977	0.5
143.08549	2.0
145.04951	7.1
145.10100	1.5
147.08046	7.0
151.07530	1.1
151.11191	1.2
159.11702	0.8
161.09607	8.5
163.11150	1.3
165.09123	10.1
171.08026	0.7
171.11716	0.7
175.11188	0.6
177.09244	0.6
179.10648	7.2
183.11658	0.6
185.13210	0.5
189.09099	7.4
207.10159	12.3
207.12068	0.8
219.13782	0.5
225.11188	22.7
225.16150	0.7
239.17662	0.5
267.12384	0.8
267.17456	0.5
271.16943	1.1
285.18533	1.4
289.17889	1.3
295.16974	0.9
297.11084	0.6
303.19669	0.7
313.18042	1.6
331.19009	4.4
333.13373	1.2
347.10910	0.6
349.20078	1.2
351.14389	4.3
457.22226	2.8
471.22659	0.6
475.23099	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01875	1.0
55.05511	2.1
57.03444	0.6
65.03963	0.6
66.28242	0.4
67.05507	3.9
69.03420	3.5
69.03699	0.3
69.07074	1.3
69.50781	2.5
69.51188	0.6
71.04997	2.9
79.05498	3.1
81.03419	13.4
81.07053	4.8
83.01339	1.3
83.04978	1.3
83.08627	1.2
85.02906	0.8
91.05490	3.5
93.07046	4.0
95.04976	1.3
95.08607	5.3
97.02889	4.1
97.06542	0.8
97.10158	0.9
98.16438	0.4
99.04446	2.9
100.97755	0.4
103.05453	0.7
105.07024	5.1
107.04958	0.8
107.08613	4.2
109.02885	33.3
109.06512	2.0
109.10158	6.0
111.04449	1.2
111.08101	1.8
117.07045	1.2
119.08586	10.3
121.06520	1.2
121.10152	3.5
122.07295	1.4
123.08083	3.2
123.11723	1.6
125.06001	0.5
125.09632	11.2
127.03919	100.0
128.04260	1.0
128.06238	0.6
129.06975	0.4
131.08591	0.7
133.06482	2.9
133.10138	5.4
135.08046	1.0
135.11703	1.4
137.05934	0.4
137.09616	8.1
139.03917	1.4
143.08554	1.4
145.04977	3.2
145.06465	0.6
145.10127	1.7
147.08031	3.2
147.11676	0.9
149.09657	1.5
149.13297	0.5
151.07526	0.8
151.11220	1.0
155.08522	0.6
157.06467	0.4
157.10092	0.8
159.08000	1.0
159.11694	1.5
161.09615	4.0
163.11229	0.7
163.14816	0.5
165.09119	77.8
166.09422	0.6
169.10049	0.5
171.11720	0.9
173.09613	1.3
173.13200	0.8
175.11214	0.8
177.09082	0.7
179.10703	2.9
183.11771	0.5
185.09554	0.6
185.13167	0.8
187.11197	0.8
187.14827	0.7
189.09102	3.4
191.10744	0.6
191.14322	0.4
201.12788	0.7
203.10678	0.8
205.12283	2.1
207.10141	3.9
213.12843	0.6
215.10703	0.6
225.11215	8.8
225.16202	0.6
229.12268	0.7
229.15948	0.7
243.13895	0.6
251.24644	0.4
253.15900	0.7
267.17508	0.8
271.16895	0.9
285.18469	3.0
287.19824	0.4
289.17868	0.6
295.16904	0.9
303.19510	0.9
313.17972	2.6
323.25717	0.9
331.19034	3.7
349.19977	2.1
351.14386	1.2
383.22104	0.9
429.33624	0.7
457.21747	4.5
457.32120	0.6
458.22006	0.5
475.22672	1.2
475.27710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
53.34893	0.7
55.01868	1.2
55.05509	2.1
57.03424	1.2
67.05499	3.1
69.03425	6.2
69.85316	0.8
69.91878	3.3
69.92297	1.4
71.04985	3.5
71.64770	0.9
79.05489	2.8
81.03423	17.3
81.07057	4.5
83.01358	1.4
85.02914	1.0
91.05471	4.2
93.07058	6.5
95.04939	1.2
95.08585	5.2
97.02899	11.2
99.04473	5.1
99.05013	0.9
105.07036	10.0
107.08597	8.2
109.02887	60.2
109.06499	4.4
109.10158	3.1
111.04444	1.2
111.08103	3.1
115.03944	1.2
119.08576	19.5
121.06532	2.0
121.10145	6.8
123.04465	0.9
123.08073	6.8
123.11748	1.5
124.08875	1.5
125.09636	38.2
127.03922	100.0
128.04268	1.4
131.08604	1.7
132.93927	0.8
133.06461	1.1
133.10135	14.6
135.11656	1.3
137.09619	2.3
142.13315	0.8
143.08565	2.9
145.04961	8.4
145.10139	2.4
147.08052	7.7
148.74057	0.9
151.07585	1.1
151.11279	1.0
161.09622	10.5
163.11134	1.6
165.09164	8.7
171.11734	0.9
176.99742	0.9
179.10670	7.5
189.09122	8.5
207.10193	12.0
225.11211	31.0
250.72992	0.9
271.16959	2.0
285.18478	1.3
289.18015	1.3
295.16962	1.3
313.18079	1.1
331.19000	4.6
333.13229	1.3
349.20258	1.5
351.14484	5.3
457.22137	3.1
475.22821	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.05503	0.7
57.03432	0.5
60.89219	0.4
63.61585	0.3
65.03951	0.5
67.05496	0.8
69.03427	0.7
69.07059	0.7
70.00621	2.0
71.04987	1.9
79.05502	0.8
81.02978	0.7
81.03419	9.6
81.07045	1.6
83.01328	1.7
83.04970	0.4
91.05476	1.0
93.07030	1.6
93.89339	0.4
95.04948	0.8
95.08616	2.3
97.02919	0.8
98.21347	0.5
99.04445	1.8
102.82904	0.4
105.02153	0.4
105.07034	1.8
107.08593	1.7
109.02878	18.1
109.06476	0.9
109.10161	1.0
111.04417	1.0
111.08095	1.3
117.07068	0.5
119.08570	2.2
121.10162	1.0
125.09631	1.1
127.03913	100.0
128.04276	0.8
131.08554	0.9
133.06471	0.4
133.10150	1.8
133.10989	0.4
135.08055	0.5
135.11710	0.4
136.80638	0.4
139.03880	2.0
143.08607	0.8
145.04922	0.9
145.06487	0.4
145.10121	1.3
147.08023	0.5
147.11560	0.5
153.05574	0.4
157.10139	0.9
159.08086	0.4
159.11687	0.6
161.09619	1.1
161.13348	0.5
163.07532	0.6
165.09100	0.8
171.11665	1.1
173.09540	0.6
173.13225	0.7
177.09120	0.4
183.11673	0.5
185.09587	0.5
185.13304	0.7
187.11253	0.8
189.09113	0.7
199.11339	0.4
203.10667	0.5
215.10634	0.7
229.12267	0.5
229.15970	0.4
243.13831	0.6
267.17560	0.6
285.18448	3.1
287.19937	0.6
303.19492	0.8
313.18005	2.7
331.18988	2.9
349.20053	2.2
383.22119	0.9
411.21689	0.6
429.22244	0.5
439.20676	0.8
457.22116	5.3
475.23215	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03955	5.4
55.01862	1.5
55.05505	2.5
57.03437	1.1
65.03906	0.6
67.05508	3.9
69.03433	6.9
69.07056	1.9
69.83832	0.7
71.04994	2.9
71.60277	1.2
77.63734	0.6
79.05511	3.8
81.03419	17.9
81.07050	6.4
83.01325	1.5
83.04977	1.7
83.08615	1.4
84.36552	0.6
84.74978	0.6
85.02876	1.5
91.05480	6.8
93.07047	7.0
95.04965	2.7
95.08611	5.8
97.02899	10.8
99.04456	4.6
105.07041	10.7
107.04962	1.6
107.08598	9.7
109.02881	57.6
109.06538	3.3
109.10142	3.0
111.04443	1.7
111.08103	2.8
113.06024	0.6
117.07027	1.9
119.08577	18.1
121.06501	3.2
121.10145	8.0
123.08077	6.7
123.11700	1.9
124.08854	0.9
125.09632	34.2
127.03918	100.0
129.06998	0.9
129.09059	0.6
130.07796	0.6
131.08609	1.9
133.06529	4.4
133.10127	15.0
135.08078	1.1
135.11671	2.0
137.05956	0.8
137.09621	3.1
143.08549	2.8
145.04959	6.8
145.06528	0.6
145.10146	2.9
147.08057	7.9
147.11728	1.0
149.09633	1.2
151.07556	1.6
151.11165	1.5
157.10156	1.2
159.11681	1.2
161.05995	0.7
161.09598	9.4
161.13261	0.7
163.11230	1.6
165.09142	9.9
169.10117	0.7
171.08098	0.7
171.11736	0.7
173.09598	0.8
173.13173	0.8
175.07614	0.8
175.11182	1.0
179.10667	8.4
183.11621	1.0
185.13219	0.6
187.11305	0.8
189.09114	7.1
197.09677	0.8
197.13280	0.8
207.10159	12.3
207.12015	0.9
225.09004	1.3
225.11215	21.7
225.13371	1.3
229.16017	0.7
247.25563	0.7
249.16406	0.6
253.15945	1.0
267.12357	1.0
271.16986	1.2
285.18457	2.0
289.18042	1.0
303.19571	1.1
313.17987	3.2
331.19043	5.1
333.13278	0.6
349.20166	2.1
351.14404	3.2
383.22272	2.0
457.21255	3.5
475.27792	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	475.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01863	0.9
55.05510	2.3
57.03432	0.8
57.07068	0.5
58.83118	0.4
65.03930	0.6
67.05511	2.4
67.47372	0.5
69.03429	2.3
69.07060	1.4
71.04990	2.5
72.74062	0.4
79.05488	1.5
81.03420	17.6
81.07055	4.0
83.01334	1.7
83.04968	1.5
83.08614	1.1
85.02882	0.5
85.06521	0.7
91.05491	2.5
93.07034	2.3
93.55557	0.4
95.04976	1.2
95.08616	5.2
97.02899	2.8
97.10187	0.5
99.04447	2.3
105.07034	4.1
107.04971	0.6
107.08609	4.2
109.02885	41.5
109.06512	1.2
109.10155	1.6
110.03240	0.6
111.04430	1.8
111.08086	4.4
113.06024	0.9
117.07007	0.9
119.08578	5.8
121.06514	1.1
121.10147	2.6
123.08082	1.5
123.11735	0.8
125.02349	0.5
125.05994	0.5
125.09619	2.5
127.03918	100.0
128.04277	1.4
129.06998	0.7
131.08543	1.4
133.06497	1.3
133.10135	3.8
135.08083	0.8
135.11691	1.4
137.05898	0.4
137.09567	0.6
139.03925	4.1
142.07774	0.9
143.08565	1.6
145.04973	0.5
145.06406	0.8
145.10104	3.0
147.08051	1.6
147.11705	1.8
149.05981	0.6
149.09604	0.7
151.07523	0.5
153.05496	0.6
155.08453	0.6
157.10149	2.2
159.08070	1.5
159.11703	1.7
161.06067	0.7
161.09596	2.2
161.13248	0.7
163.11252	1.0
165.09117	1.3
169.10175	0.9
171.11734	1.3
173.09654	1.7
173.13371	0.5
175.07547	0.5
175.11110	0.7
177.09100	1.0
179.07024	0.5
179.08398	0.5
179.10725	1.0
181.10138	0.6
183.11766	0.8
185.09662	0.4
185.13293	0.7
187.11223	1.0
187.14827	0.9
189.09151	2.6
191.10748	0.5
193.12218	0.6
197.09702	0.9
197.13223	0.9
197.54991	0.4
201.05508	0.5
201.09123	0.9
203.10776	1.3
207.10179	0.8
215.10736	1.2
225.11214	1.0
225.16411	0.7
227.12741	0.5
229.12225	0.6
229.15910	0.9
229.59174	0.5
239.17802	0.8
243.13969	0.9
243.17525	0.5
257.18927	0.4
267.17456	0.8
271.16949	0.9
285.18567	2.4
289.17755	0.5
295.16916	0.7
303.19580	1.5
313.17990	4.2
331.19034	12.6
349.20090	12.9
366.58179	0.4
383.22119	1.1
391.21121	0.9
393.20621	0.8
411.21680	1.3
429.22610	0.7
439.21283	1.5
457.22150	8.8
458.22153	0.6
475.22397	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	475.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.6
53.03948	4.9
55.01875	2.4
55.05516	1.9
57.03431	1.4
57.07093	0.7
58.06288	0.5
61.24530	0.5
64.21707	0.5
65.03954	0.5
67.05507	4.6
69.03431	8.9
69.07076	1.9
70.25082	0.5
71.04996	3.4
71.60452	0.7
79.05487	5.1
81.03422	24.4
81.07058	7.6
83.01354	1.9
83.04977	2.3
83.08625	0.9
85.02914	2.3
85.06548	1.3
91.05482	8.8
93.07056	8.3
95.04983	3.0
95.08609	8.2
97.02895	15.9
97.06547	1.3
99.04459	5.9
103.05473	0.8
105.07037	14.7
107.04997	1.4
107.08593	11.5
109.02886	73.6
109.06516	5.8
109.10147	3.5
111.04440	1.6
111.08096	4.8
113.06013	0.9
115.03938	0.6
115.05424	0.7
117.07038	2.3
119.08586	22.6
121.06530	2.6
121.10155	13.4
123.04516	0.7
123.08075	8.2
123.11736	3.2
124.08865	1.1
125.09638	46.0
127.03923	100.0
128.04283	1.1
128.06203	0.9
129.07033	0.8
131.08578	2.6
133.06528	2.6
133.10133	19.7
135.08066	1.4
135.11682	2.1
137.06007	1.6
137.09592	2.6
143.08572	3.9
145.04961	7.1
145.06429	1.0
145.10124	3.7
147.04427	1.3
147.08051	10.7
147.11696	1.7
149.09698	1.2
151.07559	1.9
151.11188	2.2
157.10094	1.3
159.11746	1.0
160.21526	0.5
161.05981	0.7
161.09624	9.9
163.07466	0.9
163.11162	2.8
165.09109	14.0
169.10086	0.8
171.08087	1.0
171.11690	1.0
173.09596	0.7
173.13239	1.6
175.07578	0.6
175.11169	1.2
179.10670	8.8
183.11752	0.7
184.77222	0.6
185.13260	0.6
187.11229	0.9
187.14943	0.7
189.09126	10.3
191.10707	0.6
193.04994	0.7
197.13174	0.6
199.11244	1.0
201.09232	0.8
207.10190	15.3
224.62880	0.5
225.11212	24.8
225.16312	0.9
226.11710	0.6
229.15822	0.9
233.15329	0.7
253.15869	1.1
267.17419	0.8
271.16928	1.9
285.18539	1.7
289.18030	2.7
295.16592	0.7
297.10840	0.6
303.19427	0.6
313.18225	3.1
331.19025	6.8
333.13184	1.4
338.34473	0.6
349.20059	2.0
351.14413	5.0
365.21338	0.6
457.21503	2.5
470.55856	0.7
475.22791	7.3
475.32919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01869	2.1
55.05505	2.5
57.03433	1.4
59.04985	0.5
67.01851	0.6
67.05507	4.8
69.03429	7.3
69.07072	1.5
70.62865	1.3
71.04984	3.7
74.00346	0.5
74.37697	0.4
79.05497	5.7
81.03418	22.9
81.07047	8.0
82.46933	0.4
83.01354	1.4
83.04989	1.2
83.08622	1.1
85.02928	0.8
91.05474	7.5
91.50365	0.4
93.07039	7.8
95.04962	3.3
95.08610	6.2
97.02886	10.3
97.06541	0.8
97.10178	1.0
99.04444	4.2
103.05457	0.8
105.07030	11.5
107.04928	2.3
107.08583	11.0
109.02876	63.3
109.06508	5.1
109.10161	3.2
110.03174	0.9
111.04432	2.1
111.08081	3.5
113.06013	0.6
117.07015	1.7
119.04954	0.7
119.08578	20.5
120.08938	0.5
121.06489	3.1
121.10146	7.6
123.04446	0.6
123.08074	7.2
123.11737	1.6
124.08814	1.1
125.09629	40.7
126.09960	1.0
127.03911	100.0
128.04240	1.1
128.06216	1.1
129.07018	0.9
131.04890	0.6
131.08549	1.1
133.06470	1.7
133.10129	17.2
135.08052	1.8
135.11700	2.8
137.05946	0.9
137.09581	2.7
139.07596	0.5
143.08583	3.2
145.04953	8.3
145.06259	0.7
145.10175	2.0
147.04396	0.5
147.08054	7.5
147.11726	0.8
149.09677	0.7
150.70575	0.4
151.07613	1.1
151.11198	2.6
157.10155	0.8
159.08073	1.0
159.11642	1.3
161.05998	1.1
161.09618	10.2
161.13243	0.6
163.11180	2.3
165.09109	11.8
169.10130	0.7
171.08031	0.9
171.11630	0.5
173.09587	1.1
173.63206	0.4
175.11133	0.7
179.10651	7.4
181.10004	0.5
183.11678	0.7
185.13251	0.5
189.09097	7.6
190.09329	0.6
201.12811	0.6
205.12128	0.7
207.10147	13.2
207.17735	0.5
211.14757	0.6
215.10730	1.1
225.11197	22.9
226.11520	0.6
267.12119	0.6
269.15363	0.5
271.16910	1.6
285.18433	1.1
289.14328	0.9
289.17908	1.6
303.19385	0.6
313.17896	1.7
331.19034	4.0
333.13211	1.2
349.19946	1.5
351.14368	3.1
365.20959	0.6
383.22116	3.7
401.22867	0.9
431.24283	0.6
439.33539	0.5
457.21069	1.0
457.25867	2.0
475.27911	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	475.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03950	4.0
55.01859	1.4
55.05515	2.5
57.03430	1.7
61.77367	0.5
65.97705	0.5
67.05504	4.1
69.03433	5.5
69.07059	2.2
69.92987	3.0
71.04979	2.9
79.05503	5.6
81.03422	21.8
81.07059	6.5
83.01349	1.8
83.04982	2.0
83.08616	2.6
83.96147	0.5
85.02900	1.3
91.05479	6.3
93.07051	8.4
95.04967	3.5
95.08616	7.1
97.02905	8.4
97.06522	0.7
97.10206	1.2
99.04453	3.3
105.07036	9.8
107.04953	2.0
107.08601	8.6
109.02885	52.5
109.06516	3.9
109.10183	3.1
110.03204	0.8
111.04463	2.5
111.08107	3.1
115.03969	0.7
117.07018	1.8
119.08585	16.2
121.06497	2.4
121.10151	7.8
123.04427	0.7
123.08088	6.6
123.11713	2.1
125.06002	0.8
125.09634	29.9
126.09928	0.9
127.03923	100.0
128.04247	1.7
128.06241	0.8
129.07033	1.1
131.08574	1.7
133.06497	1.7
133.10139	12.1
135.08073	1.6
135.11703	4.4
137.05963	1.5
137.09627	1.9
143.08559	2.4
145.04951	6.5
145.06534	1.2
145.10139	3.3
147.08063	8.2
147.11687	1.0
149.06036	0.9
149.09624	0.9
151.07547	1.3
151.11194	2.1
153.12798	0.7
157.10150	2.1
159.08052	0.9
159.11736	1.4
161.06027	1.0
161.09618	7.9
163.11176	5.4
165.09132	8.2
169.10103	0.8
171.11708	0.7
173.09619	0.9
175.11194	1.5
179.10698	5.2
181.12228	1.1
183.11623	0.6
185.13252	0.6
187.11124	1.2
189.09122	6.2
193.12291	1.7
197.13251	0.6
207.10178	10.9
211.11261	0.6
225.11223	19.5
225.13361	1.0
225.16202	0.6
227.12794	7.4
229.12398	0.7
229.16017	0.9
267.17316	0.8
271.16910	1.4
285.18420	1.2
289.14664	0.6
289.18051	1.5
313.18008	2.1
331.19058	5.1
333.13596	0.7
349.20279	2.2
351.14389	3.9
365.21222	0.8
383.22250	3.4
401.23090	1.3
457.21750	1.9
457.26669	1.4
475.14230	0.8
475.27347	10.8
496.89536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86826	0.3
53.03945	4.1
55.01881	1.7
55.05518	2.5
57.03437	1.5
59.04989	0.6
64.35198	0.4
67.05513	4.8
69.03433	8.1
69.07050	2.0
70.64925	1.3
70.65273	0.4
71.01368	0.5
71.04990	2.5
73.28111	0.3
79.05490	5.1
81.03420	23.5
81.07066	8.2
83.01341	2.0
83.04984	1.9
83.08633	1.2
85.02923	1.7
85.06557	0.8
91.05483	7.6
93.07048	9.0
95.04968	3.1
95.08613	8.1
97.02892	12.5
97.06535	1.2
97.10186	1.0
99.04456	5.2
99.08131	0.4
105.07036	11.9
105.07772	0.6
107.04951	1.2
107.08598	11.2
109.02881	65.1
109.06503	5.0
109.10178	3.9
110.03230	0.6
111.04443	3.3
111.08088	3.7
113.06084	0.5
115.03940	0.6
115.05486	0.5
117.07030	1.7
119.04970	0.5
119.08582	20.7
121.06527	3.4
121.10139	9.4
121.87283	0.4
123.04502	0.6
123.08066	7.4
123.11684	2.6
124.08849	0.8
125.09631	36.0
126.09976	0.9
127.03917	100.0
128.04224	0.9
128.06215	0.6
129.07043	1.0
131.08562	2.6
133.06497	2.8
133.10133	16.8
135.08006	0.9
135.11705	3.4
137.05972	1.1
137.09622	3.1
139.03876	0.4
139.07501	0.6
143.08530	2.8
145.04965	8.9
145.06488	0.8
145.10130	3.6
146.07295	0.6
147.04437	0.5
147.08054	8.2
147.11713	1.3
149.06007	0.5
149.09619	0.9
149.13266	1.0
151.07510	1.1
151.11191	2.1
155.08554	0.9
157.10170	2.2
159.07968	0.9
159.11697	1.6
160.03285	0.4
161.06033	0.5
161.09630	10.1
161.13297	0.9
163.07578	1.1
163.11121	2.7
165.09126	12.8
165.10512	0.7
169.10114	1.1
170.10765	0.4
171.08038	0.8
171.11693	1.7
171.79631	0.4
173.09644	1.4
173.13248	0.7
175.07559	0.5
175.11131	0.9
175.14798	0.4
177.09114	0.7
179.10681	8.1
181.12321	0.5
183.08086	0.4
183.11710	1.5
185.13277	1.1
187.11182	0.9
187.14856	0.8
189.09099	7.0
189.12758	0.5
191.10674	0.7
193.12158	0.8
195.11772	0.5
197.09666	0.5
197.13264	0.9
198.13934	0.4
199.11285	0.7
201.09030	0.7
201.12695	0.6
203.10730	1.1
207.10165	12.4
209.13344	0.6
211.11182	0.7
213.12801	0.5
215.10585	0.9
219.13638	0.5
225.11205	26.2
226.11473	0.6
227.12805	1.6
229.12259	0.8
229.15903	1.2
231.13847	0.5
239.18004	0.5
243.13895	1.0
245.15240	0.6
267.17429	1.2
271.13440	0.4
271.16977	1.4
273.14902	0.5
285.18573	3.3
289.17944	1.6
295.16910	1.3
297.11108	0.5
303.19592	2.9
313.18079	3.2
315.12192	0.8
317.92697	0.4
331.19006	6.4
333.12857	1.0
340.87616	0.5
349.20117	3.4
351.14484	4.4
360.69214	0.4
383.22125	1.6
401.22876	0.6
457.21490	4.1
457.32153	0.4
475.22708	2.2
475.27307	2.3
502.75989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01865	6.0
55.05512	13.5
57.03437	11.7
57.07069	5.8
59.04999	12.1
67.05492	7.2
69.03430	43.4
69.07080	6.2
70.03744	2.8
70.06594	4.3
71.04987	7.2
71.60397	4.5
73.02924	5.3
74.12233	2.4
79.05482	8.7
81.03436	18.2
81.07034	17.7
83.04977	22.7
83.08626	8.3
85.02906	65.5
86.03275	3.2
86.09711	6.7
87.00839	16.5
87.04466	9.7
88.04790	5.1
89.06023	12.8
90.15576	2.6
91.05482	13.3
93.07038	12.7
95.04954	19.4
95.08616	8.2
97.02892	35.1
97.06534	24.3
98.03252	3.5
99.04459	13.1
99.08113	5.9
101.06034	12.2
101.09653	5.9
103.03925	3.6
105.01894	16.6
105.07048	20.2
107.04957	11.7
107.07082	16.3
107.08600	21.2
108.07432	3.8
108.53378	3.0
109.02887	13.3
109.06515	44.8
109.10147	12.9
113.09628	3.9
115.03965	14.0
115.07576	7.9
116.04226	5.7
117.07024	2.9
119.07020	4.5
119.08604	14.6
121.06487	6.5
121.10166	16.2
123.04493	3.2
123.08075	8.4
123.11723	7.1
125.09636	6.5
127.03919	30.1
127.07567	3.1
131.08594	13.9
133.04953	15.3
133.10135	45.7
134.05371	3.2
135.08070	11.0
135.11716	6.3
137.05969	3.5
139.11131	3.5
143.08620	3.3
143.33144	3.0
143.97943	2.9
145.04982	13.9
145.10179	5.9
147.04417	4.2
147.11694	36.2
149.09645	4.8
149.13252	9.1
150.05508	4.3
150.07664	3.4
151.11177	4.1
153.09082	17.4
153.12776	2.9
159.02835	3.3
163.07584	7.8
163.11137	7.6
163.13321	53.2
163.14723	7.1
164.13654	38.8
165.12801	7.6
167.07089	21.0
171.10149	3.1
173.13287	25.3
177.05458	8.5
191.14313	39.2
195.10167	6.6
204.04178	2.8
209.15375	100.0
210.99886	2.8
213.11223	35.7
227.16443	50.1
231.04909	3.0
245.10188	6.0
245.43112	3.2
258.12958	2.6
314.13849	3.8
321.13223	4.0
475.21576	27.9
498.97269	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	475.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01865	5.0
55.05496	6.8
57.03423	7.0
61.02904	5.4
63.75805	2.9
67.05489	8.2
67.22228	2.3
69.03430	19.6
69.07069	5.1
70.86625	4.6
71.04968	6.2
73.02908	4.3
79.05500	8.9
81.03423	15.6
81.07064	22.8
83.04974	4.6
83.08619	9.0
85.02902	44.9
85.06548	5.7
86.09704	3.0
87.00819	20.6
91.05484	9.2
93.07043	14.3
95.04974	23.1
95.08616	14.4
97.02881	15.4
97.06523	29.1
98.97549	2.4
99.04449	14.1
99.08085	4.4
103.03969	2.6
103.05476	2.4
104.99271	3.0
105.01868	18.3
105.07015	20.6
107.04988	5.2
107.08592	18.8
109.02877	16.6
109.06522	49.8
109.10139	12.6
111.08065	5.0
115.03931	2.8
115.07561	9.9
117.90343	2.2
119.08584	14.2
121.06524	2.4
121.10131	19.0
123.00305	2.8
123.08059	9.8
123.11673	3.1
125.09705	2.7
127.03925	24.8
127.07498	2.5
129.01810	2.6
131.08556	12.5
133.06534	3.4
133.10136	60.4
135.08040	8.4
135.11685	6.1
137.05954	8.0
139.11206	4.1
143.08586	3.0
145.04953	10.5
145.10129	6.4
147.04434	4.4
147.11685	32.7
149.09624	4.3
149.13237	5.2
151.07452	2.9
151.11165	3.4
153.09114	22.7
159.02838	3.0
163.11168	2.5
163.14818	7.5
165.12759	8.4
167.07053	2.3
171.10226	2.2
173.13281	29.8
191.14314	43.2
200.24174	2.5
209.08018	3.8
209.15367	100.0
227.16425	63.2
231.05008	3.4
241.11638	3.0
255.09988	3.2
270.91916	2.6
295.28174	4.5
311.12677	2.6
313.18027	2.6
376.58887	2.5
475.21472	4.5
475.33102	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	475.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39447	0.3
52.10881	0.3
57.03440	0.7
61.02914	0.3
63.02391	0.5
65.03963	0.4
69.03438	2.3
70.06581	0.5
71.27631	0.6
72.08157	1.5
81.03451	0.4
83.04979	1.2
84.04490	0.5
84.08109	0.4
85.02895	1.7
86.09687	1.5
87.04461	0.8
89.03912	4.4
91.05476	1.3
93.03398	0.4
95.04982	0.6
97.02885	1.1
99.04459	0.3
107.04982	0.4
115.03928	1.1
117.03380	17.7
119.04942	2.0
121.02872	4.0
127.03910	1.3
133.04982	0.7
134.03633	1.2
135.04462	1.5
145.02844	43.7
146.03236	0.5
147.04405	6.1
148.04768	0.4
149.05966	6.7
150.07658	0.4
163.03886	1.1
165.05513	1.3
172.95238	0.5
177.05469	100.0
178.05754	1.6
183.12703	0.4
186.05569	1.7
190.96364	0.6
195.06473	0.8
207.02853	0.4
213.08888	0.4
219.02951	0.6
247.12915	0.4
259.05988	0.4
261.03906	0.7
290.90088	0.3
294.05212	0.9
307.06000	1.0
308.06509	0.6
321.09586	0.7
325.06943	1.3
337.07056	2.9
339.07019	0.9
339.10706	0.8
355.08051	1.3
379.08008	1.0
409.09009	0.4
431.09433	0.9
439.10516	0.4
457.11157	1.6
475.08337	0.5
475.17392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05509	0.9
56.05043	0.6
67.05510	0.6
69.03429	1.4
69.07064	1.1
70.02965	0.7
70.06584	2.3
71.04990	0.8
71.57925	0.5
72.08163	3.7
75.73316	0.4
79.05508	0.7
81.07041	0.5
83.04999	0.6
84.04507	2.8
84.08164	0.6
85.02887	1.8
85.06550	2.4
86.09708	18.3
87.04453	0.5
87.05591	3.1
87.09242	2.1
87.10026	0.9
88.03989	0.7
89.07147	0.6
89.84648	0.4
91.05482	1.3
93.07082	0.7
95.04967	0.6
97.02892	1.2
97.06548	0.4
102.05545	2.5
105.07054	0.6
107.04995	0.9
107.08590	0.6
109.02917	0.4
111.04472	0.7
115.03941	0.4
119.04961	0.5
119.08580	0.8
121.02817	0.8
127.03817	1.2
129.06769	0.5
129.10258	0.7
131.08575	1.2
133.04997	0.7
136.07613	0.6
145.10103	0.8
149.09624	1.7
150.09647	0.4
151.07359	0.8
162.07637	0.9
163.02756	0.9
163.03961	0.8
163.11224	1.6
167.10704	1.1
173.09309	1.5
187.14441	1.0
190.05319	0.6
191.10692	1.6
193.08574	0.6
197.13017	0.6
201.08809	0.4
201.12373	1.7
209.11618	5.5
213.12407	0.6
215.13974	2.2
217.15643	0.5
227.12685	16.7
228.13033	0.4
229.11726	0.9
231.17076	0.5
233.11336	0.6
243.13367	0.9
245.06009	0.5
245.08121	0.8
245.12445	2.4
246.14638	0.5
247.12959	1.2
249.11133	0.4
250.99400	0.4
255.11996	3.1
259.09277	0.5
261.14450	0.9
269.10559	1.0
275.16040	0.9
289.05356	0.7
294.05130	0.5
307.06201	0.9
310.21063	0.5
317.08182	0.7
321.14172	0.4
325.07175	0.6
337.07111	1.5
340.14984	0.6
344.14346	0.6
355.08215	1.0
371.16562	1.7
379.07883	0.4
389.17850	17.9
415.12073	0.4
425.14294	0.5
431.09436	1.3
431.18921	42.7
432.19241	1.1
439.10709	0.6
457.11731	1.0
475.17914	100.0
476.18338	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	474.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.05511	30.7
57.02592	0.9
60.04519	1.6
64.83793	0.8
67.05498	5.1
67.45164	0.9
68.05027	1.0
69.07070	1.7
70.59513	2.9
74.12357	0.9
78.75067	0.8
79.05489	3.0
81.03413	1.7
81.07056	6.0
82.06578	2.9
83.04985	37.2
85.70025	0.9
86.09689	1.5
91.05472	3.1
93.07038	7.2
95.08583	4.7
105.07021	4.7
107.04988	1.3
107.08601	7.2
109.06460	0.9
109.10181	1.1
109.52428	1.0
110.06053	4.1
111.04488	1.5
116.07043	1.2
117.06966	1.2
119.08578	4.6
121.06518	1.1
121.10117	3.5
123.11718	1.0
124.11231	3.1
129.06998	0.9
131.08566	3.2
133.06496	1.1
133.10127	4.4
134.09740	1.2
135.08043	2.2
143.08542	2.0
145.10124	3.1
147.11650	1.8
151.07501	1.2
155.08569	1.1
157.10120	3.1
157.91212	0.8
158.08156	4.4
159.11687	2.7
161.13269	1.9
169.10117	1.3
171.11664	1.9
173.13307	1.6
178.56935	0.9
184.07364	3.0
185.13211	1.1
190.12273	1.1
195.11656	0.9
197.13208	1.0
199.14828	1.2
213.16380	0.9
244.17134	0.9
251.17856	0.9
282.20209	1.0
297.18329	2.2
308.53073	0.9
314.21149	8.9
315.19571	3.1
332.22162	14.3
356.22180	8.4
374.23178	12.7
408.24814	1.7
474.28488	100.0
475.28555	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.8
57.03429	1.4
60.04510	2.5
65.95215	0.6
67.05502	1.5
68.59387	0.6
69.03443	0.7
70.06590	4.6
71.04975	2.6
71.60207	0.7
71.60658	1.2
72.08153	1.0
74.73248	0.6
77.65305	0.7
78.28033	0.6
81.03390	1.6
81.07034	1.0
88.07615	3.1
91.05463	1.4
93.07054	1.2
95.08604	1.4
98.06059	29.8
99.04454	3.8
105.07029	1.9
107.08569	1.5
109.10181	1.2
111.08038	0.9
116.07096	24.3
117.05469	1.3
119.08562	2.0
120.08826	0.7
121.10157	0.7
133.10144	1.0
140.07074	6.6
147.11702	0.7
149.71771	0.7
158.08127	100.0
165.09084	0.8
169.83578	0.6
173.13292	0.7
443.44553	0.7
474.28506	69.2
475.27448	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	474.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81131	4.4
55.05507	4.6
59.05007	29.3
59.06101	5.0
60.05656	59.4
66.47445	4.1
70.85831	11.5
79.22826	4.5
80.14938	4.1
83.08621	4.1
87.70959	4.2
90.43391	4.4
91.05455	10.1
105.07027	22.5
109.10110	4.3
111.04430	6.1
117.07062	4.6
119.05396	5.5
119.08589	7.4
131.08611	7.5
145.10182	4.1
155.08527	15.9
157.10085	16.3
158.08130	5.1
159.11711	21.3
169.10237	5.2
171.11777	8.2
181.10147	7.3
185.13358	5.7
193.10152	5.7
195.11743	8.6
196.12685	5.7
209.13203	4.8
211.14758	17.3
213.16383	16.0
219.81245	4.6
237.16333	12.7
255.17389	28.4
273.18359	8.1
279.17456	9.6
297.18494	19.3
310.36743	4.7
315.19559	100.0
465.40247	4.6
474.20526	7.9
474.28305	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	474.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88299	4.0
59.05005	29.6
60.04525	6.2
60.05642	44.9
67.05494	5.5
71.59419	7.1
79.05528	4.9
81.07067	6.6
91.05489	10.4
93.07024	6.3
105.07039	25.8
111.04401	6.2
113.21067	3.8
119.08582	5.2
131.08559	12.7
145.10165	6.6
155.08540	12.7
157.10114	13.1
158.08130	9.0
159.11671	24.0
164.24713	5.1
171.11703	16.9
175.14749	6.9
181.10133	8.1
183.11665	4.6
195.11679	7.7
209.13269	9.7
211.14799	12.2
213.16386	21.1
227.17920	8.0
237.16374	14.9
255.17468	36.9
257.15302	6.2
279.17288	8.6
297.18576	17.4
315.19531	100.0
474.27985	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	474.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01859	0.3
55.05495	0.9
57.03436	2.4
57.68311	0.3
60.04520	1.7
67.05482	1.2
69.03402	0.4
69.07066	0.5
70.06589	3.7
71.04987	2.2
72.08134	0.9
72.45363	0.2
79.05477	1.0
81.03409	1.1
81.07034	1.0
88.07626	4.1
89.06020	1.1
91.05462	0.7
92.83523	0.2
93.07021	1.0
94.34523	0.3
95.04929	0.4
95.08589	1.2
98.06049	24.7
98.20607	0.4
99.04449	3.8
105.07018	0.7
107.04935	0.3
107.08572	1.0
109.10128	1.1
111.04436	0.4
111.08080	0.3
112.07615	1.4
116.07090	20.5
117.05486	1.6
117.07104	0.2
119.08592	1.3
121.10150	0.6
125.09633	0.3
130.08601	0.7
131.08574	0.4
133.10066	0.7
135.11725	0.3
140.07057	6.2
145.10152	0.7
147.11661	0.9
151.11206	0.3
158.08116	100.0
159.08446	0.6
159.11754	0.3
161.13268	0.3
165.09087	0.9
179.06261	0.3
181.79109	0.3
205.12325	0.3
245.15146	0.2
257.18842	0.2
317.21130	0.9
333.24118	0.5
421.89236	0.3
474.28497	55.9
475.28638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93415	4.8
55.05515	10.5
65.94918	5.1
67.05505	11.5
71.59820	5.1
71.60245	11.8
79.05481	19.9
81.03420	19.6
81.07032	16.3
83.04986	13.9
91.05480	53.7
93.07042	17.1
95.04953	15.6
95.08610	11.4
103.05479	5.9
105.03401	6.4
105.07018	23.4
107.04948	11.0
107.08562	8.9
109.06501	7.8
109.10142	9.0
119.04937	52.3
119.08566	7.6
121.06440	6.5
121.10131	11.2
123.08080	5.6
127.03864	10.1
129.06996	7.1
133.06500	9.4
133.10051	15.6
135.04401	100.0
147.04443	24.9
147.08090	5.8
151.07480	33.4
160.05150	13.0
161.05978	9.6
175.07603	9.5
175.11212	6.6
179.07036	25.6
187.07584	12.5
189.16451	5.5
193.08514	7.1
205.08606	12.2
208.92801	6.6
249.09175	6.8
267.10028	6.3
309.11337	12.9
327.12308	20.6
339.12207	22.2
357.13177	5.6
368.51813	7.7
413.21201	6.7
474.29095	8.5
474.36502	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	474.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98431	0.6
70.90401	1.6
72.08160	1.7
86.09720	3.6
111.05565	3.2
115.11928	0.7
120.04452	2.3
125.05884	1.3
126.06601	2.0
127.03909	0.9
132.04456	22.1
134.06029	4.1
137.04707	2.1
147.04401	1.0
151.06158	7.5
158.08075	1.1
194.06747	5.3
195.07553	1.1
202.09787	2.3
216.11305	0.7
230.09393	1.1
242.09207	4.3
257.10324	3.9
259.11905	11.0
284.11496	2.7
302.12454	17.1
327.11960	3.2
345.13068	100.0
346.13251	1.4
415.16418	0.8
456.15991	1.3
474.17334	19.5
474.28040	1.2
475.08466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3629
Annotation	3alpha,21beta,24-Trihydroxyserrat-14-en-16-one
Peak:m/z	Relative Intensity
54.20556	0.4
55.05526	2.2
57.07084	1.0
62.60571	0.5
67.05505	3.7
69.03442	0.9
69.07069	4.2
70.47398	1.7
71.05021	0.7
79.05485	2.6
81.07066	7.2
83.04990	3.2
83.08630	1.9
91.05490	3.0
93.07038	6.9
95.04978	1.7
95.08604	13.1
97.06553	1.0
97.10162	1.1
105.07030	6.9
106.05586	0.4
107.08599	11.7
107.09291	0.7
109.06531	1.5
109.10165	6.8
111.08106	1.5
117.07049	1.7
119.08573	8.0
120.08920	0.5
121.10155	7.7
123.08112	2.1
123.11704	4.4
125.09573	0.5
129.07031	1.1
131.08574	4.4
133.10129	6.2
135.08069	1.9
135.11693	7.0
137.09616	1.1
137.13292	1.4
138.48021	0.4
139.11201	1.0
141.06993	0.6
143.08597	2.8
145.06419	0.7
145.10130	6.5
147.08015	0.8
147.11682	4.4
149.02396	0.8
149.09654	0.8
149.13277	3.1
154.07858	0.5
155.08641	1.2
157.10109	2.9
158.11003	0.5
159.08070	1.0
159.11708	3.7
161.09593	2.1
161.13255	2.7
163.11246	0.6
163.14865	1.5
169.10170	1.9
170.10909	0.5
171.08015	2.1
171.10463	0.5
171.11703	2.5
173.09669	1.9
173.13245	5.3
175.11250	1.4
175.14835	5.6
177.16408	2.9
183.11690	1.7
185.09627	1.3
185.13264	2.1
187.11208	2.1
187.14836	8.8
189.12761	0.8
189.16396	5.0
191.17979	1.2
194.90407	0.5
195.11766	1.1
197.13287	1.1
199.11201	0.8
199.14822	2.6
201.12747	2.4
201.16356	4.7
203.14378	1.1
203.17989	1.2
205.15857	1.0
207.11491	0.5
207.17438	0.5
209.13316	1.2
211.14906	1.2
213.12790	1.5
213.16478	1.7
215.14333	0.7
217.15964	1.0
219.13838	0.7
221.15433	0.7
223.14882	0.7
225.16351	1.1
227.14362	2.1
227.17839	1.2
229.15884	4.7
235.16875	2.5
237.16463	0.6
241.15927	0.9
241.19499	0.8
243.17500	1.1
247.16962	5.2
251.18036	0.6
253.19476	0.8
255.17671	0.6
255.21077	1.0
257.19049	1.1
265.19601	1.0
269.19064	0.9
271.20624	1.2
273.22186	1.2
275.20328	0.6
277.21848	0.7
283.20602	4.0
297.22076	0.6
301.21695	1.0
401.32507	0.6
409.34555	0.8
419.32941	1.3
437.34177	87.0
438.34326	2.5
455.35217	100.0
456.35690	2.2
473.36301	8.6
488.71191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01855	2.8
55.05509	41.2
57.03434	29.4
57.07075	35.0
60.15813	1.0
63.60281	1.1
65.03938	1.3
67.05504	52.1
69.03423	1.3
69.07066	59.2
71.04977	4.4
71.08629	20.7
71.59431	1.3
75.04475	7.5
79.05490	23.5
81.07054	69.3
83.04985	5.1
83.08618	45.3
85.06540	3.6
85.10178	12.8
86.06764	1.2
91.05470	6.8
93.07037	31.3
95.04906	1.3
95.08601	63.6
97.06516	14.3
97.10162	32.1
98.98454	11.1
99.08102	1.5
101.06001	2.6
105.07018	4.3
107.08591	23.4
109.10153	31.8
111.08099	9.6
111.11721	11.5
113.06001	4.6
115.07558	3.6
117.07016	1.5
118.69520	1.3
119.08577	6.7
121.10136	29.6
123.08047	1.4
123.11688	14.8
125.09617	7.1
125.13258	1.7
127.07505	1.2
129.09099	3.2
131.07019	6.6
131.08551	1.5
132.50420	1.2
133.10110	4.0
135.11700	23.4
135.19012	1.2
136.54576	1.2
136.99982	10.0
137.13228	6.0
137.75665	1.4
139.11154	7.6
143.10728	1.9
145.10144	2.4
147.11649	3.9
149.13249	13.7
151.14798	2.7
153.12730	7.4
155.01033	12.5
157.12206	1.7
159.11664	1.8
161.13280	1.7
163.14821	4.7
165.09047	3.8
165.16321	1.7
166.60661	1.3
167.14313	4.3
172.95242	3.0
175.14848	3.3
177.16365	5.6
181.15878	3.8
185.15302	2.3
189.16441	2.2
190.96359	1.9
191.17944	3.7
193.02570	2.2
193.15884	1.3
195.17372	2.9
199.17047	1.9
205.03366	1.2
205.12056	1.3
205.19498	2.8
209.18980	2.9
209.71266	1.4
211.03665	4.3
213.18394	1.3
223.20480	2.1
227.19930	1.6
228.97897	1.5
243.82143	1.2
255.48271	1.6
261.25760	10.3
263.23782	1.5
279.26834	15.4
285.62820	1.3
289.25171	10.7
297.27917	1.9
301.70358	1.4
307.26288	19.0
325.27432	4.1
337.27283	6.7
343.28421	100.0
344.28732	2.2
358.61438	1.2
381.26041	1.0
381.29947	49.2
399.31052	68.4
400.31412	1.5
437.33609	1.5
455.33701	31.4
473.19672	7.3
473.26740	14.4
473.34659	79.2
474.27606	1.7
474.35651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3238
Annotation	Comnostin D
Peak:m/z	Relative Intensity
55.05505	1.8
57.07073	0.5
65.59289	0.3
67.05488	0.4
69.03412	0.7
69.07058	0.6
69.46785	3.1
71.04967	0.4
76.31820	0.3
79.05490	0.8
81.07061	0.8
83.04961	0.5
83.08621	9.3
85.06525	0.3
91.05471	0.5
93.07037	1.1
95.04967	0.4
95.08598	1.3
97.02895	3.4
99.04439	0.5
105.07014	1.2
107.08600	5.0
109.10162	0.9
111.08068	0.9
114.14163	0.3
119.08601	1.8
120.01827	0.5
121.10140	1.3
123.08054	1.0
125.05960	0.6
125.09625	2.9
135.11682	1.7
137.09625	0.6
139.07506	0.6
145.10141	1.0
147.07880	1.2
149.09419	0.5
153.09041	0.4
153.12752	0.8
159.11710	0.8
161.05772	0.4
162.06544	1.1
163.11172	1.1
165.09068	0.6
169.08505	0.4
181.12236	3.6
195.10173	0.4
223.13303	0.8
228.13080	0.5
230.51845	0.3
243.39082	0.3
245.11496	30.3
307.83792	0.3
330.25821	0.3
359.61392	0.4
360.45648	0.3
473.32391	100.0
474.33069	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2899
Annotation	Methyl lucidenate A
Peak:m/z	Relative Intensity
61.87629	0.6
63.02390	0.5
67.05494	2.5
68.08380	0.6
69.07048	1.0
71.59991	0.6
71.83165	0.7
74.33535	0.6
79.05470	1.0
81.07065	3.1
83.08608	0.6
86.98518	0.6
89.03923	6.5
91.05500	1.4
93.07037	1.6
95.08621	2.8
107.08605	1.0
109.10135	1.2
112.05347	0.7
117.03381	18.6
119.08602	0.7
121.10143	1.2
133.10127	0.9
134.03609	1.8
135.04436	1.5
135.11649	1.1
145.02846	43.4
145.10222	0.8
149.05995	6.5
158.06050	0.9
177.05469	100.0
178.05823	1.0
179.07056	0.8
186.05495	4.2
187.05771	0.7
229.87111	0.6
273.47635	0.7
317.01782	0.6
395.41425	0.7
419.53244	0.6
455.35526	0.7
473.34790	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	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.01872	4.1
55.05514	5.6
57.03441	9.8
58.94336	1.0
59.05007	7.8
60.02155	1.7
61.02935	1.7
65.03933	2.1
67.05516	6.0
69.03432	18.0
69.07057	3.3
71.01363	21.8
71.05004	12.4
71.59422	1.3
73.02927	5.9
75.04493	7.3
75.38029	1.1
75.80411	1.2
77.03893	1.1
79.05499	25.5
81.03414	4.5
81.07057	11.6
83.04974	3.6
85.02913	44.7
85.06551	1.2
85.20350	1.0
87.04472	11.1
91.05481	12.9
93.07053	46.6
95.01334	2.0
95.04977	6.6
95.08625	5.0
97.02903	21.6
97.06535	8.8
99.00852	8.5
99.04472	12.5
101.02396	1.3
103.03940	5.0
105.07039	40.8
107.04978	1.9
107.08603	100.0
108.08899	1.1
109.02897	8.3
109.06532	5.9
109.10150	3.4
111.04478	7.4
111.08067	1.9
113.02379	9.8
117.05505	2.8
117.07027	5.1
119.03474	1.2
119.08588	14.9
121.06519	19.5
121.10165	20.5
123.04474	1.9
125.06034	1.3
127.03941	5.5
128.06218	1.3
129.05475	2.8
129.07021	1.5
130.07806	3.8
131.03441	6.2
131.08566	3.7
133.10161	4.7
135.08060	12.2
135.11707	20.5
135.41522	1.1
137.05951	2.3
139.07555	1.3
141.01848	4.4
143.08578	2.6
145.05026	3.0
145.06505	1.6
145.10141	41.7
147.11685	8.7
149.05980	2.0
149.09618	17.7
155.03416	1.6
155.07071	2.2
159.02919	2.6
159.11729	1.3
161.09575	1.7
163.11198	74.5
165.09178	2.1
169.04979	2.8
171.06587	3.5
173.04449	2.6
173.08206	2.1
173.09572	7.8
181.12270	9.3
185.13168	1.2
187.11186	1.5
191.10681	68.2
197.04514	2.4
205.12360	1.7
209.11754	11.4
215.05464	4.6
227.12811	5.2
229.07144	1.3
247.08197	2.4
265.14362	13.5
283.15411	26.1
289.14243	1.6
307.15430	4.5
325.16412	2.3
359.15094	1.6
377.16257	1.2
380.18481	2.0
381.18900	4.1
417.94937	1.4
423.16553	4.6
473.14264	2.0
473.19962	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	473.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	3.6
69.03439	1.3
70.06583	3.4
71.05005	1.5
71.59264	1.9
72.08156	4.4
79.05489	1.1
81.03413	2.8
84.08131	1.4
85.02905	3.6
86.09715	9.0
90.52297	0.9
91.05492	2.1
92.55846	0.9
93.07059	1.5
97.02890	1.7
98.97585	2.7
99.04431	1.3
109.02902	1.6
109.06524	0.9
109.10199	1.4
116.98648	1.6
121.53114	1.0
125.20242	1.0
126.20287	1.1
127.03917	3.8
135.04457	1.6
147.03250	1.8
149.02097	8.0
162.07639	2.3
163.03905	6.8
185.16556	1.6
213.15982	1.3
219.01860	0.9
225.14888	1.4
237.02925	1.9
239.03442	7.0
243.09135	3.7
260.41919	1.1
261.10172	4.6
261.14590	2.8
283.40009	1.1
299.05569	3.5
347.07385	15.2
387.13330	10.3
405.14377	7.8
416.47089	1.0
429.14963	17.6
447.15283	1.2
471.12857	1.1
473.09830	51.3
473.14258	100.0
474.14893	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
66.77395	0.3
67.05502	5.6
68.05018	1.0
69.03401	0.9
69.07076	3.0
69.26119	4.4
70.06592	100.0
71.04988	0.7
71.06940	0.7
79.05496	2.5
81.03423	1.1
81.06579	0.8
81.07055	16.0
82.07402	0.8
84.08155	1.0
85.02912	1.2
86.09741	0.5
91.05479	0.9
93.07047	1.3
94.06571	1.1
95.04970	7.3
95.08605	3.6
97.02906	1.3
97.06546	0.5
98.52808	0.4
99.04433	0.4
105.07029	0.9
107.08633	1.3
107.59011	0.4
109.02892	1.7
109.06509	0.5
109.10162	0.7
112.07607	11.7
114.05524	1.6
116.01592	0.4
117.07053	0.5
119.08587	1.1
121.10152	0.9
125.09682	0.4
127.03928	0.9
130.07339	0.4
130.08664	1.2
133.10156	0.7
134.10551	0.3
135.11694	0.6
137.13280	1.3
145.02878	0.7
145.10149	0.5
146.10391	0.5
149.77654	0.3
151.11238	0.5
154.08652	0.8
163.03973	1.0
167.07048	0.4
174.07713	0.9
175.11243	0.4
177.05519	0.9
178.05798	0.8
189.16505	0.4
201.16417	0.5
203.19830	0.4
237.00963	0.4
238.10838	1.3
256.11835	1.9
274.12863	6.2
292.13907	10.4
300.10855	0.9
318.11838	1.9
336.12900	16.8
428.26602	1.2
435.67133	0.4
436.32913	0.7
454.33685	0.5
472.26248	2.2
472.35303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08468	0.3
51.84469	0.3
53.03941	0.5
55.05509	0.6
57.03448	0.4
65.03935	0.5
67.05502	8.7
68.05032	0.6
69.03432	1.0
69.07067	4.5
70.06591	100.0
71.05004	0.7
71.59608	0.7
79.05488	2.4
81.03394	0.9
81.06577	0.8
81.07056	16.4
84.08154	1.6
85.02904	1.8
86.09721	0.5
91.05487	1.6
93.07051	1.3
94.06575	2.9
95.04967	12.0
95.05553	0.7
95.08598	4.6
97.02900	1.8
98.97602	0.5
105.07044	1.7
107.08597	1.4
108.08868	0.5
109.02892	1.4
109.10188	1.0
111.04478	0.4
112.07602	21.1
113.06010	1.0
114.05569	0.5
116.98701	0.5
119.08609	1.3
121.10145	0.9
122.10548	0.5
127.03975	1.2
130.08670	2.1
131.08589	0.7
132.08788	0.5
133.10181	1.0
136.07571	0.5
137.13261	1.0
145.02829	0.6
145.10205	0.5
146.99611	0.4
147.04449	0.7
147.11731	0.6
154.08687	1.4
159.11679	0.5
161.13400	0.6
162.13742	0.6
163.03870	2.5
167.07072	0.5
171.79568	0.4
172.09691	0.8
174.07709	0.6
177.16400	0.5
178.05774	0.6
178.08698	0.5
181.05009	0.5
187.14885	0.7
189.16388	0.9
201.16345	0.9
202.16754	0.8
220.17888	0.4
238.10707	2.2
256.11884	2.4
274.12842	10.1
274.15567	0.6
292.13901	15.7
300.10962	1.3
318.11816	3.3
334.08188	0.6
335.09485	0.5
336.09003	1.0
336.12909	20.8
408.33987	0.5
428.26443	2.3
431.55969	0.5
436.33237	0.7
441.15225	0.6
454.34235	1.0
472.21915	6.3
473.14194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03226	0.3
53.03938	0.4
54.19847	0.2
55.01874	2.1
55.05519	0.3
57.03445	1.2
57.03667	0.2
61.02929	1.7
62.69353	0.2
65.03927	0.4
66.50243	0.2
68.05035	3.6
68.99776	0.6
69.03078	0.3
69.03425	4.1
70.06590	1.7
70.84831	0.5
70.85172	0.4
71.04604	0.3
71.04991	5.1
72.08146	0.3
73.02930	1.5
74.02442	1.4
81.03420	1.8
81.07040	0.3
82.68266	0.3
84.04541	0.2
85.02903	10.1
85.13663	0.2
85.63004	0.3
86.06075	0.4
86.09717	1.6
86.78257	0.2
87.04469	0.4
91.03943	0.5
91.05480	2.3
92.05814	0.2
93.03402	2.4
95.04965	2.6
97.02885	3.4
99.04446	0.7
100.11255	1.1
105.06999	0.3
109.02865	0.9
110.06071	1.6
111.04432	0.4
113.06000	0.5
114.05528	11.9
115.03947	0.3
115.05405	0.3
119.04920	1.1
121.02873	3.8
123.04395	0.7
127.03931	1.6
129.07014	0.3
131.08546	0.2
135.04430	0.5
137.05956	0.5
139.03873	0.8
145.04921	0.8
145.06503	0.6
147.04404	4.7
147.08022	0.8
148.04764	0.9
149.04890	0.5
149.05988	0.6
151.03883	1.0
153.05414	0.3
156.66638	0.2
157.05035	0.3
157.06468	0.6
160.05215	0.3
161.05974	0.9
163.03882	2.0
165.05539	0.3
173.05922	1.1
173.09715	0.3
175.07556	2.3
175.11047	0.2
177.05473	3.1
178.06271	0.4
178.08585	1.1
179.03346	0.3
179.07022	2.6
180.06490	0.3
181.04926	0.5
185.09605	0.3
187.03957	0.3
187.07652	0.5
189.05493	0.3
189.09085	0.3
191.07013	2.5
191.10687	0.5
194.08147	1.8
195.06549	0.4
196.09695	0.3
197.08122	0.6
199.18036	0.4
200.04680	0.8
201.09114	1.0
203.07060	1.2
203.10631	0.8
205.04953	5.3
205.08594	1.4
207.06500	0.6
209.08109	1.5
209.16605	0.3
210.14937	0.3
211.07635	0.4
213.09154	0.3
215.07010	6.5
215.28358	0.2
217.08650	0.3
219.10181	1.3
221.08072	4.3
223.05978	1.3
223.09546	0.8
225.07564	0.3
227.17596	0.5
229.08606	3.8
231.10146	4.0
233.08080	7.0
235.09698	0.7
235.63586	0.2
237.11171	1.7
240.08618	2.1
246.11304	0.4
247.09666	15.1
249.11209	3.4
257.08139	1.6
262.14835	0.3
264.12289	6.3
275.09131	1.9
292.11856	1.3
293.10190	3.3
310.12836	100.0
311.13181	1.3
326.23239	0.2
454.17105	0.6
471.35556	0.8
472.18143	1.4
472.35663	0.9
473.13647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01864	0.9
55.05511	15.2
56.96563	0.8
57.03431	1.5
57.07067	0.5
58.15362	0.4
67.05506	1.8
69.03426	7.4
69.07069	1.4
70.06597	3.7
71.04984	1.3
71.58850	0.4
71.59208	0.7
73.17604	0.4
79.05491	1.7
81.03408	0.9
81.07045	1.9
82.06576	1.3
83.04976	2.1
83.08616	12.3
84.04491	1.3
84.08142	2.1
85.02905	6.5
85.06537	1.0
86.06071	0.6
86.09690	3.0
87.04464	4.0
91.05489	3.5
92.05830	1.0
93.07043	1.3
94.06543	0.5
95.04982	2.2
95.08613	0.6
97.02898	5.0
97.06529	0.8
97.10161	4.6
97.89212	0.4
98.09683	2.1
98.97585	1.0
100.07629	3.8
100.11256	78.7
101.11595	0.7
102.05537	0.5
105.07043	1.9
106.06570	0.8
107.04972	0.6
107.08595	2.8
109.02895	1.1
109.06496	0.8
109.10120	0.8
110.06003	1.2
111.04438	5.5
112.07615	1.6
115.03957	5.2
116.07052	0.8
116.98618	0.8
117.13882	1.4
119.04932	3.9
119.08605	1.1
120.05289	1.5
121.02860	0.6
121.06503	0.6
123.04469	1.2
124.07555	0.6
125.09631	7.4
126.09172	1.6
127.03906	2.0
127.08674	0.9
127.57255	0.4
128.07079	5.2
129.05486	0.6
131.08575	0.6
133.04962	4.2
133.10130	0.6
135.11694	0.4
137.05960	1.1
138.09157	0.9
139.08679	1.2
140.07065	2.2
143.08614	0.8
143.10670	12.1
145.02888	1.3
145.05002	1.0
147.04411	16.2
147.11716	1.1
148.04742	6.6
148.07581	1.7
150.05481	2.4
150.07585	0.8
152.07065	0.4
155.07085	0.5
161.11742	8.9
163.11214	0.6
166.15979	0.7
168.06601	1.0
177.05479	3.0
182.15408	19.2
183.06564	0.7
185.04210	0.5
192.13844	0.6
205.50850	0.5
209.16479	12.4
210.14899	23.9
226.19205	1.7
227.17497	3.5
228.15956	2.4
237.02785	0.5
245.18684	2.9
259.08151	0.6
291.13269	0.5
311.83594	0.4
326.28241	1.2
336.22717	0.8
337.21259	0.5
343.30737	1.4
355.22470	0.6
362.58301	0.5
376.35220	0.5
435.33344	0.9
453.34390	3.4
471.17145	5.9
471.22192	2.9
471.35434	100.0
472.18985	0.8
472.35788	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	471.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.4
57.03436	0.9
57.07066	0.7
58.57523	0.5
59.86601	0.6
67.05508	3.3
68.05836	0.7
69.03420	0.7
69.07072	3.3
69.97147	3.4
71.04980	0.6
79.05482	1.7
81.07072	6.6
82.07465	0.6
83.04966	2.6
83.08623	1.5
91.05479	2.1
93.07046	5.5
95.04947	1.3
95.08610	9.8
97.06519	0.9
97.10133	0.7
105.07024	7.5
107.08588	9.7
109.06534	0.6
109.10153	5.1
111.08154	0.9
117.07053	0.7
119.08593	9.7
121.06462	0.7
121.10142	6.3
123.11684	2.4
125.09693	0.8
129.07018	0.8
131.08572	2.7
133.10139	7.0
133.25558	0.5
134.98198	1.7
135.08054	1.9
135.11699	6.4
136.98524	0.7
137.09625	0.8
137.13231	0.8
138.05029	0.6
143.08592	1.5
145.10098	3.0
147.08022	0.8
147.11682	3.7
149.09624	1.6
149.13255	1.8
151.14833	0.6
153.09143	0.6
154.94189	1.1
155.08586	1.1
157.10094	3.2
159.08006	0.7
159.11710	1.8
161.09639	2.1
161.13310	3.5
163.11168	1.0
163.14854	1.4
169.04707	6.9
169.10081	0.8
171.11687	2.0
172.95242	2.2
173.13264	3.4
175.14825	7.6
177.16418	1.8
183.11697	1.2
185.13287	0.9
187.11183	1.1
187.14832	2.3
189.12714	0.8
189.16371	11.3
190.96313	1.7
191.17976	1.5
195.11789	0.8
197.13234	2.0
199.14836	2.1
201.12695	0.8
201.16386	1.7
207.17616	1.2
211.14899	0.8
213.16417	0.7
215.14403	1.4
215.17958	0.8
217.15930	6.1
227.17949	1.1
229.19579	1.0
231.17493	0.9
235.16898	6.6
241.19620	0.6
243.21167	1.2
245.19043	0.9
247.16957	0.6
253.19557	1.9
255.21021	0.9
267.21124	0.9
271.20563	4.1
285.22025	0.8
299.25800	1.9
317.17896	0.8
317.21231	1.7
407.33054	1.7
425.34183	6.6
453.17133	1.5
453.34137	0.7
471.27887	5.1
471.34680	100.0
472.35004	2.5
494.19818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3492
Annotation	Lantic acid
Peak:m/z	Relative Intensity
55.05500	2.4
57.03436	0.9
57.07066	0.7
58.57523	0.5
59.86601	0.6
67.05508	3.3
68.05836	0.7
69.03420	0.7
69.07072	3.3
69.97147	3.4
71.04980	0.6
79.05482	1.7
81.07072	6.6
82.07465	0.6
83.04966	2.6
83.08623	1.5
91.05479	2.1
93.07046	5.5
95.04947	1.3
95.08610	9.8
97.06519	0.9
97.10133	0.7
105.07024	7.5
107.08588	9.7
109.06534	0.6
109.10153	5.1
111.08154	0.9
117.07053	0.7
119.08593	9.7
121.06462	0.7
121.10142	6.3
123.11684	2.4
125.09693	0.8
129.07018	0.8
131.08572	2.7
133.10139	7.0
133.25558	0.5
134.98198	1.7
135.08054	1.9
135.11699	6.4
136.98524	0.7
137.09625	0.8
137.13231	0.8
138.05029	0.6
143.08592	1.5
145.10098	3.0
147.08022	0.8
147.11682	3.7
149.09624	1.6
149.13255	1.8
151.14833	0.6
153.09143	0.6
154.94189	1.1
155.08586	1.1
157.10094	3.2
159.08006	0.7
159.11710	1.8
161.09639	2.1
161.13310	3.5
163.11168	1.0
163.14854	1.4
169.04707	6.9
169.10081	0.8
171.11687	2.0
172.95242	2.2
173.13264	3.4
175.14825	7.6
177.16418	1.8
183.11697	1.2
185.13287	0.9
187.11183	1.1
187.14832	2.3
189.12714	0.8
189.16371	11.3
190.96313	1.7
191.17976	1.5
195.11789	0.8
197.13234	2.0
199.14836	2.1
201.12695	0.8
201.16386	1.7
207.17616	1.2
211.14899	0.8
213.16417	0.7
215.14403	1.4
215.17958	0.8
217.15930	6.1
227.17949	1.1
229.19579	1.0
231.17493	0.9
235.16898	6.6
241.19620	0.6
243.21167	1.2
245.19043	0.9
247.16957	0.6
253.19557	1.9
255.21021	0.9
267.21124	0.9
271.20563	4.1
285.22025	0.8
299.25800	1.9
317.17896	0.8
317.21231	1.7
407.33054	1.7
425.34183	6.6
453.17133	1.5
453.34137	0.7
471.27887	5.1
471.34680	100.0
472.35004	2.5
494.19818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
53.03952	2.8
55.01875	3.9
55.05512	21.3
57.03433	10.9
57.07074	5.9
59.04999	2.7
65.03912	3.8
67.05508	31.7
69.03431	14.0
69.07071	26.5
70.06600	2.5
71.04989	9.2
71.59803	3.0
73.02919	5.5
79.05499	31.5
81.03412	8.7
81.07060	80.8
83.04993	9.5
83.08611	16.1
85.02906	18.9
85.06548	13.2
86.09724	2.3
87.00837	2.6
87.04472	2.5
89.03921	3.5
89.73689	2.0
91.05486	35.5
93.07044	69.0
95.04977	12.4
95.08610	92.0
97.02908	17.3
97.06522	18.7
97.10182	9.6
98.06882	2.0
99.04456	2.7
99.08086	5.6
103.05499	2.9
105.07033	77.6
105.07752	3.7
107.04971	3.7
107.08598	71.2
109.02877	8.2
109.06531	9.4
109.10170	49.3
111.04430	2.5
111.08087	48.2
111.11752	3.2
117.03374	4.5
117.07024	12.7
119.08585	100.0
119.24465	2.1
121.06543	12.8
121.09304	4.5
121.10149	55.7
123.04440	8.8
123.08075	8.1
123.11716	18.4
125.09627	9.2
127.03906	6.3
127.07517	4.1
127.11167	2.8
129.05522	2.9
129.07033	4.9
130.07829	3.2
130.92723	2.1
131.08571	36.1
133.10143	66.0
135.04402	2.8
135.08066	6.8
135.11693	32.6
137.06000	6.5
137.09642	11.5
137.13219	5.0
139.07539	2.4
139.11162	6.1
142.07780	4.3
143.08545	12.0
145.02858	13.7
145.04950	3.0
145.10127	62.0
147.04456	3.8
147.07979	4.0
147.11699	53.7
149.05963	2.8
149.09654	5.9
149.13268	42.1
151.07555	2.8
151.11211	5.7
155.08539	4.3
157.10147	18.0
158.10840	2.5
159.08049	2.9
159.11687	42.2
160.28943	2.4
161.09615	6.1
161.13260	53.1
163.03922	9.2
163.07573	4.8
163.11223	9.5
163.14824	15.8
165.09108	18.5
165.12807	5.7
165.60573	2.3
167.07056	6.5
169.10150	5.2
171.11662	11.6
173.02351	2.9
173.09511	2.0
173.13283	37.0
174.02655	3.4
175.11214	3.7
175.14830	40.5
177.05490	26.7
177.09210	2.4
177.12851	4.4
177.16394	28.5
179.14322	5.8
181.10123	2.4
183.11647	5.1
185.13300	13.0
187.14828	41.6
189.09143	3.3
189.12717	6.9
189.16380	50.8
191.10600	2.4
191.14299	5.8
191.17966	9.8
193.12146	2.3
193.15903	12.3
195.11865	2.9
199.11195	3.0
199.14844	14.2
201.12721	2.9
201.14575	4.4
201.16396	54.9
203.14334	8.3
203.17947	24.8
205.12242	5.6
205.15895	34.3
207.17482	19.1
211.14880	4.0
213.16377	15.8
215.07056	7.6
215.14520	4.6
215.17972	23.8
216.07410	3.8
217.12498	4.9
217.15868	7.0
217.19571	3.6
219.13843	3.1
219.17427	23.4
221.15460	5.0
221.18922	4.6
222.66553	2.2
223.13190	4.1
223.16945	2.8
227.17950	4.3
229.15889	5.8
229.19650	4.9
231.17349	9.8
233.15454	5.1
233.18953	10.7
235.16872	3.5
238.91142	2.7
239.10493	2.4
239.18051	2.6
241.19553	3.4
243.21132	4.2
245.18933	3.1
247.16988	9.6
259.09607	10.4
259.20480	2.6
260.10074	5.9
261.10410	6.5
265.18027	3.2
267.21136	3.3
277.10858	3.4
279.11337	5.3
291.15881	3.2
291.26813	6.7
292.06689	2.4
295.24454	2.2
327.23346	3.6
349.29132	3.1
367.30069	4.2
389.32117	5.6
395.33234	8.3
407.33191	31.9
413.30582	7.5
423.32501	2.8
425.34146	31.4
435.32645	14.6
436.32547	2.3
441.33740	7.4
453.33795	42.7
471.21774	26.7
471.34851	36.6
472.22263	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	471.3469
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
51.57817	4.6
55.05506	12.0
65.03942	4.6
67.05502	21.7
69.07080	17.8
70.61709	7.9
70.62097	17.3
71.04985	5.7
75.83502	5.1
79.05498	13.7
81.07049	49.5
83.08591	8.3
89.52077	5.2
91.05487	23.2
93.07058	49.9
95.08606	83.9
97.06537	8.5
97.10150	9.5
98.21448	5.3
105.07034	56.7
107.08595	77.9
108.93677	5.4
109.06513	6.3
109.10139	54.0
111.08109	5.2
117.07021	11.3
117.46163	4.8
119.08588	100.0
120.62428	4.8
121.10140	58.9
123.08062	6.7
123.11732	15.3
125.09639	18.3
129.06938	7.0
131.08554	42.3
133.10141	57.5
135.11708	31.7
142.07791	6.0
143.08604	11.9
145.10112	61.4
147.11665	34.9
149.13277	15.5
151.11110	5.2
157.10141	14.0
157.71449	4.5
159.11694	60.0
161.13232	33.5
163.11147	7.7
163.14816	15.9
171.11671	11.8
173.13275	36.5
175.14807	35.5
177.09102	8.0
177.12781	7.2
177.16409	20.3
185.13260	14.5
187.14812	41.2
189.16379	48.4
191.14313	13.9
191.17944	22.6
193.15866	9.5
199.14867	18.9
201.16376	94.2
203.17998	24.7
205.15799	7.0
206.47485	5.1
207.17433	5.8
213.16406	21.9
215.17929	24.9
217.15820	7.0
219.17477	51.6
221.15430	12.7
226.53662	6.2
229.19620	12.6
231.17474	10.0
233.19128	7.4
235.16905	19.0
247.16888	36.4
249.18489	7.0
253.19443	6.1
261.18500	21.3
275.20169	6.5
281.22614	7.3
327.23224	19.4
341.24789	7.0
389.32047	12.5
407.33057	47.5
423.32553	12.4
425.34094	13.8
435.32654	51.3
453.33749	43.9
453.44287	5.2
471.21588	8.5
471.34799	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	471.3469
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
52.78135	1.9
53.03934	3.2
55.05504	12.8
57.03436	2.7
57.07054	4.3
64.44298	2.0
65.77792	2.0
65.85127	1.7
67.05505	19.4
69.03413	3.7
69.07063	15.2
70.30472	3.2
70.30867	5.2
71.04980	6.7
79.05474	14.3
79.53840	2.0
81.03395	2.5
81.07052	37.4
83.04962	3.8
83.08619	10.0
85.02878	11.1
91.05465	19.0
93.07040	34.6
95.04955	3.3
95.08604	71.2
97.06505	10.3
97.10163	5.4
105.07018	47.1
107.08590	65.8
109.06508	3.7
109.09458	3.7
109.10151	41.2
111.04439	2.3
111.08051	2.3
117.07027	6.4
119.08572	90.2
121.09322	3.5
121.10142	50.1
123.08073	3.0
123.11679	11.6
125.09629	12.9
129.05473	3.2
129.07016	3.5
130.07761	2.0
131.08549	27.3
133.10115	53.3
135.08029	3.8
135.11664	27.1
137.09616	3.4
137.13240	2.1
142.07719	2.5
143.08548	8.0
144.09320	3.9
145.10117	52.1
147.11670	30.4
149.09596	5.3
149.13231	19.4
151.07561	2.2
151.11116	3.7
153.09079	3.3
157.10097	13.3
158.10910	2.6
159.11682	47.1
161.13239	36.2
163.03925	2.9
163.11162	5.7
163.14789	18.8
166.16046	1.9
169.10085	2.6
171.11662	8.3
173.13298	28.0
175.14796	37.5
177.12776	2.7
177.16418	20.7
183.11682	5.2
185.13229	7.0
186.14120	2.8
187.14819	45.3
189.16374	59.2
190.16728	2.5
191.14345	4.7
191.17952	12.6
193.15874	9.6
197.13263	3.6
199.14821	18.8
201.16376	100.0
203.14432	2.5
203.17949	27.7
205.15875	6.1
207.13776	2.4
207.17328	4.2
213.16345	18.1
215.17949	22.7
217.15892	10.6
219.17427	39.9
221.15308	4.5
225.16368	2.3
227.17912	8.8
229.19505	11.5
231.17455	7.6
233.19011	4.4
235.16924	9.3
237.18507	3.1
239.17862	2.9
241.19461	4.8
243.21109	2.7
245.18951	2.7
247.16899	16.2
249.18539	2.3
253.19408	4.0
261.18472	13.6
267.21188	2.3
273.18423	2.2
275.20038	5.8
281.22620	5.8
283.24130	6.7
327.23129	14.4
329.24692	5.8
341.24637	5.6
377.31735	3.2
389.31830	8.8
389.45471	2.0
407.33136	41.0
409.34726	4.2
423.32559	9.7
425.34161	14.4
435.32648	37.2
453.33621	31.0
471.10687	2.1
471.23471	2.2
471.34814	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	471.3472
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
50.87803	2.3
51.74751	2.4
53.03959	2.7
55.05512	12.8
57.07080	5.5
65.62180	2.1
67.05505	19.1
67.53298	2.7
69.07056	17.3
70.85836	6.5
70.86187	4.8
71.04996	2.7
72.55740	2.8
77.03905	3.1
79.05488	17.6
81.07067	39.8
83.08617	9.2
91.05480	15.7
93.07043	45.5
95.04965	4.4
95.08049	4.7
95.08613	68.0
97.06557	4.8
97.10178	3.8
105.07031	50.6
107.08596	61.3
109.06501	4.0
109.10159	43.4
111.08085	8.3
112.77209	3.2
117.07018	8.2
119.08583	85.4
121.06434	2.6
121.10146	41.9
123.08100	4.6
123.11715	10.0
125.09637	18.3
129.06985	5.8
131.08585	30.2
133.10146	57.4
135.08064	5.1
135.11664	23.2
137.09641	3.3
143.08574	11.7
144.09320	3.1
145.10123	57.1
147.11693	29.2
149.09656	7.2
149.13252	15.8
151.11160	2.9
157.10141	16.4
159.11699	41.0
159.12872	4.7
161.13254	38.4
163.11220	4.9
163.14822	20.8
171.11699	7.8
173.13264	31.1
175.14822	39.1
177.12735	3.6
177.16396	19.9
179.14299	4.2
185.13214	5.6
187.14821	49.1
189.16393	58.8
191.14297	5.8
191.17975	18.6
193.15916	8.1
199.14842	21.2
201.16393	100.0
203.14290	2.9
203.17986	29.4
205.15921	8.5
207.17400	4.0
211.14957	2.8
213.16374	19.4
215.17952	20.6
217.15918	11.3
219.17459	51.4
221.15390	5.4
227.17914	5.6
229.19476	13.9
231.17491	11.2
235.16948	9.3
237.18495	6.1
239.17969	5.4
241.19690	5.7
247.16920	25.2
253.19672	3.6
255.21165	3.8
259.20612	3.9
261.18475	10.8
267.14554	2.8
275.19946	4.5
281.22488	5.8
283.24207	5.1
327.23175	17.4
329.24655	3.2
341.24786	4.5
343.26221	3.3
389.31873	11.8
407.33090	42.2
409.34995	3.8
423.32559	8.4
425.34229	13.5
435.32541	37.9
453.33685	38.5
471.34787	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	471.347
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05508	8.4
57.07076	2.1
67.05509	17.8
69.03420	3.6
69.07071	12.9
70.41548	6.4
71.04997	2.6
79.05491	13.6
81.07062	37.5
83.08635	9.7
91.05490	16.3
93.07047	40.1
95.04984	4.3
95.08607	68.2
97.06528	5.4
97.10191	4.6
105.07030	44.8
105.07687	4.0
107.08594	67.8
109.06541	2.1
109.10158	40.4
111.08109	4.5
117.07018	9.3
119.08582	84.6
121.10150	46.2
123.08067	3.7
123.11718	12.3
125.09644	14.7
129.07050	4.6
131.08563	27.1
133.10130	55.4
135.11670	22.7
137.13310	2.2
141.31743	2.2
143.08578	9.0
144.09325	4.0
145.10126	55.9
147.11702	30.2
149.09624	5.4
149.13290	12.5
151.11241	3.5
153.09088	2.9
157.10133	10.9
158.10907	2.4
159.11687	47.6
161.13255	38.4
163.03902	3.2
163.11177	5.1
163.14813	18.2
171.11734	9.0
172.12552	2.2
173.13281	27.0
175.14845	31.1
177.12939	3.4
177.16357	17.0
179.14369	2.8
183.11719	2.7
185.13240	8.2
187.14828	49.0
189.12766	2.7
189.16379	62.9
191.14365	3.9
191.17969	19.0
193.15930	10.6
197.13303	4.1
198.14003	2.3
199.14830	20.3
201.16383	100.0
202.16815	2.8
203.14317	2.6
203.17982	27.8
205.15953	8.1
205.19423	2.6
207.17509	3.6
211.14983	3.4
213.16394	21.6
214.16721	1.9
215.17975	25.9
217.15900	8.2
219.17436	51.5
220.17802	2.4
221.15405	5.5
225.16232	2.4
227.17982	6.2
229.19516	14.5
231.17439	14.2
233.15338	3.4
233.18990	6.2
235.16940	13.9
237.18541	4.8
241.19511	7.9
243.21101	3.3
245.19081	3.0
247.16985	18.5
249.18581	4.9
253.19502	3.0
259.16913	2.3
259.20578	3.3
261.18439	14.4
265.19678	2.5
275.20102	5.7
281.22662	6.1
295.24451	2.7
305.18042	2.2
309.25821	3.1
327.23123	19.8
329.24838	3.3
341.24792	7.5
389.32233	13.9
407.33096	43.0
409.34488	5.2
423.32431	6.2
425.34247	11.6
435.32635	45.6
436.32843	3.6
453.33673	35.9
471.34601	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03922	2.0
54.54104	2.0
55.05508	9.5
57.07076	3.9
65.03930	2.8
67.05499	15.5
69.03419	4.5
69.07068	13.2
70.08902	7.2
71.04999	5.0
71.08640	2.2
79.05495	13.4
79.05896	1.8
80.62147	2.0
81.03422	3.8
81.07061	36.3
83.04966	2.4
83.08610	7.8
85.02875	10.2
91.05486	14.5
93.06483	2.1
93.07045	29.6
95.04955	4.4
95.08611	65.3
97.02874	2.6
97.06530	7.7
97.10181	5.4
99.08086	2.4
103.05475	2.0
105.07030	42.8
107.08599	54.1
109.06512	3.2
109.10164	36.5
111.08062	3.8
117.07002	10.2
119.08587	77.8
121.06461	2.1
121.10141	42.8
123.08070	4.6
123.11697	9.0
125.09637	14.0
129.05470	3.1
129.07019	2.4
129.25928	1.9
130.07782	2.1
131.04907	2.8
131.08562	24.2
131.30328	1.9
133.09123	2.4
133.10135	48.0
135.08003	2.0
135.11713	21.3
137.09608	2.9
137.13190	1.9
142.07693	2.4
143.08553	10.5
144.09251	3.4
145.10124	53.1
147.06587	2.9
147.11705	27.4
149.09619	5.5
149.13242	14.5
153.09154	2.1
155.08542	2.4
157.10133	11.2
159.11700	45.9
160.12422	2.0
161.09541	2.0
161.13277	30.8
163.07535	2.7
163.11209	3.1
163.14815	21.2
165.09090	2.6
171.11702	9.6
172.12489	2.8
173.13266	25.9
175.14835	35.6
177.12772	4.3
177.16385	22.3
179.10683	3.5
183.11647	3.9
185.13219	5.7
187.13164	2.9
187.14828	43.7
189.12772	2.6
189.16385	54.3
189.18098	2.6
191.14348	5.9
191.17966	13.3
193.15884	9.3
197.13232	4.6
199.14841	16.1
201.16394	100.0
203.14462	3.2
203.17960	23.8
205.15881	8.6
205.19624	2.8
207.13898	2.3
207.17395	4.7
211.14842	2.5
213.16383	18.1
215.17986	22.7
217.15886	7.9
219.17447	45.9
221.15387	5.1
227.17984	5.5
229.19518	11.0
231.17490	14.8
233.15259	2.7
233.19022	4.6
235.16882	9.4
237.18576	4.4
239.17674	2.2
240.68822	2.3
241.19360	4.1
247.16946	19.3
249.18634	3.8
253.19693	2.6
255.73279	2.0
257.18906	2.1
261.18546	10.8
266.57034	1.9
269.22693	2.8
275.20154	5.2
281.22705	6.7
283.24243	3.9
295.24127	3.0
327.23221	17.9
329.24686	3.4
341.24701	6.8
355.21457	2.1
389.31973	9.2
395.33417	3.0
407.33188	38.3
423.32700	6.6
425.34183	12.1
435.32675	38.0
453.33597	30.7
471.34799	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	471.3471
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05506	7.3
57.07084	2.6
57.54624	2.6
59.89589	2.1
67.05510	13.1
69.07063	11.5
70.91771	6.5
71.04993	3.9
79.05502	13.4
81.07062	34.2
83.08129	2.5
83.08602	4.1
87.09829	2.4
91.05486	18.8
93.07053	32.9
95.08047	4.3
95.08614	54.3
95.92448	2.8
97.10212	3.6
104.52326	2.5
105.07040	42.7
107.08597	50.7
109.06527	3.4
109.10168	34.8
111.08078	4.7
117.07048	6.3
119.08588	72.7
121.10149	40.1
123.08120	5.6
123.11727	10.5
125.09647	17.1
131.08572	30.0
133.10130	40.8
135.11716	20.4
143.08607	6.6
144.09360	5.0
145.10146	48.0
147.11697	27.4
149.09650	5.5
149.13280	13.6
153.09138	4.2
157.10161	12.6
159.11714	42.7
161.13251	27.5
163.11148	5.3
163.14838	15.6
171.11711	10.8
173.13289	27.3
175.14854	30.0
177.12769	3.8
177.16422	17.4
179.10605	4.1
185.13261	4.8
187.14833	44.4
189.14789	3.4
189.16426	54.6
191.14331	5.5
191.17949	16.3
193.15906	8.9
199.14850	16.2
201.16406	100.0
202.16632	2.9
203.17964	23.7
205.15862	7.0
207.17464	4.0
211.14844	3.0
213.16389	19.5
215.17953	19.0
217.15941	6.9
219.17453	44.6
221.15443	5.8
227.17986	7.0
229.19583	8.6
231.17432	13.3
233.15306	3.6
233.19116	5.9
235.16924	15.7
237.18498	5.4
241.19696	4.0
247.16939	24.5
249.18481	6.2
261.18661	13.6
275.20114	4.5
281.22595	4.2
283.24170	3.8
327.23242	14.8
329.24789	3.5
341.24887	6.3
389.32071	11.1
407.33139	43.2
423.32474	8.4
425.34299	16.3
435.32602	44.1
453.33661	35.8
471.34720	20.9
481.70120	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05514	14.7
57.03438	9.6
57.07074	2.4
67.05505	33.1
69.07069	22.0
71.08626	1.2
71.38550	1.5
71.38870	1.1
74.95574	1.0
79.05496	8.9
81.06577	1.9
81.07057	32.8
83.04958	1.7
83.08610	9.5
85.06515	1.2
86.86217	0.9
91.05479	7.4
93.07040	8.1
95.04988	1.4
95.08604	22.7
97.06538	2.0
97.10159	5.0
105.07057	4.8
107.08583	5.3
109.10147	9.6
111.11749	1.2
119.08602	4.5
121.10120	4.9
123.11724	3.0
125.53946	0.9
131.08600	1.2
133.10158	4.0
134.98190	100.0
135.11697	2.4
145.10141	1.4
147.11697	1.8
149.13290	1.4
152.63219	1.0
152.99255	2.8
161.13300	1.9
170.99043	1.0
175.14828	1.3
176.00874	4.9
199.31793	1.1
206.88907	1.0
209.01956	2.1
221.85260	1.0
337.27386	39.9
357.20804	1.0
359.25574	17.5
359.29706	1.4
396.39310	1.0
471.24866	98.0
472.24994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3467
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
53.03927	3.4
54.31326	2.9
55.05504	11.2
57.07064	7.0
57.66209	3.1
58.78237	2.6
67.05507	19.2
69.03410	7.1
69.07066	16.2
74.45084	2.8
79.05514	15.1
81.03405	6.4
81.07058	38.9
83.08626	6.9
85.02932	2.9
85.75461	2.9
86.09701	7.2
91.05450	16.1
92.69266	3.0
93.07050	41.2
95.04969	3.0
95.08599	58.7
97.06526	5.6
105.07037	39.5
107.08595	56.5
108.97136	2.9
109.02856	4.7
109.06506	5.6
109.10168	41.8
111.08076	9.1
117.07013	8.1
119.08580	76.3
121.10136	45.4
123.08036	6.4
123.11680	10.0
124.38880	3.1
125.00037	3.7
125.09642	11.3
125.64594	3.0
127.03916	4.2
129.07062	4.0
131.08598	22.8
133.10132	49.9
134.10840	2.9
134.58205	3.2
135.11665	28.3
137.09599	3.7
143.08623	8.0
144.09363	5.1
145.10120	53.6
146.10489	2.9
147.11676	27.1
149.09616	5.2
149.13251	15.5
153.09160	3.0
157.10130	11.9
159.11694	49.8
161.13277	32.2
163.11131	5.4
163.14819	17.3
165.09111	3.1
171.11703	11.7
173.13243	22.3
175.14842	31.0
177.12686	3.5
177.16386	22.4
184.07346	6.8
185.13301	5.2
187.11200	3.9
187.14824	46.8
189.16376	47.9
191.14294	8.2
191.17972	17.7
193.15970	7.2
197.13205	4.3
199.14799	19.1
201.16371	100.0
203.17932	24.8
205.15903	8.5
207.17372	4.3
213.16440	18.1
215.17995	23.2
216.14890	2.8
217.15919	6.5
219.13957	3.4
219.17462	41.8
221.15378	8.3
227.17899	6.2
229.15871	4.5
229.19542	9.4
231.17473	11.3
235.16893	8.0
237.18510	8.1
243.21149	3.3
247.16983	26.1
261.18518	9.8
264.50229	2.9
275.20041	5.5
277.21567	3.4
281.22458	4.7
327.23129	11.5
341.24838	5.3
355.18539	3.9
389.32043	11.0
395.33533	3.9
396.51868	3.2
407.33139	32.9
420.09140	4.0
423.32565	7.8
425.33795	11.0
435.32663	38.7
453.33774	28.6
471.23221	16.8
471.34613	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	471.2206
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05515	0.7
67.05523	1.0
69.03439	0.7
69.07072	1.1
71.60570	0.6
73.27700	0.3
79.05505	1.1
81.07052	2.4
83.08627	0.4
85.02908	1.1
85.06541	0.8
86.47597	0.4
91.05483	1.8
93.07043	2.7
95.08614	3.0
97.02878	0.9
97.06570	0.5
105.07035	2.7
107.08592	3.2
108.61814	0.4
109.02908	0.4
109.06549	0.4
109.10159	2.5
115.05504	0.4
117.07058	0.5
119.08600	4.6
121.10124	2.3
123.11716	0.7
125.09703	0.6
131.08591	1.7
133.10124	2.3
135.11702	1.3
137.09615	0.9
143.08592	0.5
145.10118	2.7
147.04460	0.7
147.11674	1.1
149.09708	0.7
149.13286	1.0
157.10124	0.4
159.11732	2.5
161.13275	2.0
163.11208	0.6
163.14809	0.7
165.09276	0.5
171.11717	0.8
173.13307	1.0
175.14876	1.6
177.16455	0.7
183.55428	0.4
185.13295	1.2
187.14815	2.1
189.16417	1.6
191.14310	0.5
199.14914	0.7
201.16380	2.9
203.14342	1.3
203.17992	1.2
205.15865	0.9
207.44141	0.4
213.16400	0.7
215.18077	0.7
217.21100	0.5
219.17532	1.5
221.05099	1.1
229.19548	0.5
247.17001	1.0
284.96103	0.4
339.16974	0.4
389.31857	0.4
407.33102	1.9
425.33905	0.7
435.32620	1.1
453.33618	1.6
471.22064	100.0
472.22522	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	471.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42737	0.3
55.01869	0.4
55.05502	0.9
56.96572	0.7
57.03424	0.6
67.05496	1.4
69.03427	1.6
69.07079	1.8
71.05006	0.5
71.61417	0.4
79.05497	1.3
79.52251	0.3
80.72454	0.3
81.03419	1.4
81.07063	4.7
83.08625	0.8
85.02915	1.9
85.06586	0.5
91.05498	1.0
93.07039	2.3
95.04955	0.6
95.08617	3.2
96.20779	0.3
97.02889	1.6
97.06525	0.8
98.97595	0.7
99.08101	0.5
103.05457	0.5
105.01815	0.5
105.07030	2.2
107.08590	3.3
109.02882	1.0
109.06519	0.7
109.10159	1.5
111.04447	0.3
111.08118	0.7
116.98603	0.5
117.03419	0.4
117.07005	0.7
119.08575	3.6
121.06530	0.4
121.10172	2.1
123.04461	2.4
123.08092	0.6
123.11700	0.5
127.03909	1.2
130.22298	0.3
131.04942	1.3
131.08589	1.3
133.10149	2.6
135.11726	1.0
137.05949	0.5
137.09659	0.4
139.03871	0.5
143.08603	0.7
143.36899	0.3
145.02789	0.6
145.10161	1.8
147.11685	1.2
149.05983	2.5
149.09595	0.8
149.13312	0.6
150.06342	1.1
157.10138	1.0
159.08115	0.5
159.11716	1.5
161.09702	0.4
161.13263	1.5
163.03885	0.5
163.07558	0.5
163.11165	0.4
167.03438	1.0
173.13300	1.1
175.14844	1.1
177.05507	2.4
177.09108	2.3
177.16415	0.9
179.10651	0.5
185.13249	0.6
187.14867	1.4
189.12708	0.7
189.16348	1.2
193.15939	0.3
201.16476	1.7
203.05945	0.5
203.14371	1.6
203.17973	1.0
205.08603	1.4
205.12233	1.0
205.15910	1.5
206.12624	0.9
207.17590	0.4
213.16364	0.4
219.17488	0.9
221.15482	0.4
223.09676	5.5
237.02881	0.4
246.73503	0.4
259.09811	0.6
293.61868	0.3
295.08960	0.4
317.08621	0.8
333.07800	2.2
335.09518	5.5
335.94083	0.4
363.12848	1.0
407.33206	1.0
425.34174	1.6
453.33612	1.1
457.72986	0.3
471.22052	100.0
472.22284	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.2
55.05474	0.6
57.26329	0.2
67.05470	0.7
69.03389	0.6
69.07047	0.6
69.65349	1.1
69.65755	0.5
70.06570	0.6
73.04498	0.2
73.33353	0.2
79.05464	0.7
81.03374	0.4
81.07047	2.4
83.04971	0.2
83.08538	0.3
85.02876	0.4
85.80485	0.2
89.03864	0.6
89.93020	0.2
91.05459	1.1
93.07045	1.2
93.27921	0.2
95.04943	0.5
95.08593	2.0
97.02883	2.0
97.06497	0.3
98.20741	0.4
99.04445	0.3
102.56747	0.2
103.03870	0.3
105.07036	1.5
107.08575	2.0
109.02863	0.3
109.10126	1.2
116.62959	0.3
117.03372	1.1
117.06967	0.3
119.08573	2.2
119.79442	0.2
121.10133	1.6
123.04382	0.6
123.11666	0.2
125.09600	0.6
127.03848	1.0
131.04892	0.2
131.08498	0.8
133.10124	1.5
135.11667	0.7
137.09494	0.3
143.08469	0.3
145.02823	2.8
145.10081	1.5
147.11626	0.9
149.05963	0.5
149.13200	0.3
154.00436	0.2
155.03163	0.4
157.10033	0.5
159.02946	0.2
159.11665	1.1
161.13231	0.9
163.03847	0.9
163.14822	0.5
165.09050	0.5
167.03369	0.6
173.13225	1.0
175.07483	0.3
175.14813	0.6
177.05467	6.9
177.16359	0.4
178.05804	0.3
179.07039	0.5
185.13301	0.3
186.05499	0.2
187.14774	0.8
189.09128	0.3
189.16365	1.5
191.17801	0.5
199.14807	0.7
201.03630	0.9
201.16348	2.5
203.05219	1.1
203.17973	0.6
205.15852	0.3
213.16389	0.5
215.18062	0.5
217.15894	0.3
219.17410	1.0
229.19592	0.3
231.17390	0.3
245.08153	0.4
247.17072	0.3
255.13582	0.3
275.07379	1.2
289.21478	0.3
291.08643	0.4
327.23251	0.5
333.07904	35.0
334.08197	0.8
335.09467	20.9
339.17813	0.3
407.33130	0.9
423.32739	0.3
425.34430	0.5
435.32681	0.9
453.33691	1.0
471.22006	100.0
472.22406	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
56.96568	18.3
57.88325	1.5
69.61364	3.7
69.61777	7.6
71.95271	1.8
81.07056	2.7
81.84369	1.5
88.88340	1.4
91.05500	2.3
93.07039	2.6
95.08607	5.4
97.06539	1.5
102.92597	2.3
105.07030	2.7
107.08595	3.7
119.08596	4.0
121.10123	2.8
123.08073	1.5
125.74209	1.5
128.98633	1.9
133.10124	2.9
136.93153	4.3
145.10155	2.9
146.99690	2.8
154.94159	21.0
157.10069	2.1
159.11732	1.9
161.13234	1.7
163.03981	2.1
163.14960	2.1
167.00099	1.8
172.95248	82.9
175.02759	2.6
187.14864	3.0
190.12350	1.4
190.96288	54.0
192.95731	2.6
193.03844	3.0
195.96817	14.4
201.16379	3.5
210.96733	10.1
213.97887	6.3
228.97833	30.5
233.98412	3.6
246.98917	5.8
251.99498	4.3
317.14139	2.2
317.17877	45.7
324.70026	1.8
333.17044	1.8
335.18930	28.5
355.16684	3.6
358.20551	11.2
365.27539	1.8
397.14581	4.4
431.73871	1.5
453.17133	39.6
471.21332	100.0
472.18079	1.5
472.21991	2.0
494.19778	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	471.2142
Annotation	2,6-Bis(4-hydroxybenzyl-5,3'-dimethoxy-3-hydroxybibenzyl
Peak:m/z	Relative Intensity
55.05469	1.3
56.96558	1.8
65.55182	1.0
67.05504	1.7
69.07061	1.8
69.92348	1.0
71.58022	1.0
71.58445	1.8
72.39288	1.1
79.05460	2.5
81.07024	2.1
82.65069	1.0
91.05483	1.6
93.07029	2.7
95.08583	3.6
105.07018	3.4
107.08552	3.2
109.10136	2.1
119.08553	3.6
121.10120	1.5
133.10117	2.1
145.10101	1.5
159.11687	1.3
175.14815	1.1
187.14832	1.4
201.16393	1.7
227.79904	1.3
355.16864	1.4
371.17877	1.4
389.91116	1.3
471.21442	100.0
472.21716	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
55.01874	8.5
56.96558	0.8
57.03438	3.5
59.06121	4.4
62.64232	0.5
63.02380	0.6
63.82417	0.6
67.01869	3.2
69.03436	3.2
70.06574	1.7
71.05003	0.7
71.58842	0.6
79.05500	0.5
81.25478	0.4
83.43880	0.4
84.08139	0.4
85.02895	1.8
85.06541	0.6
86.09704	1.1
87.04458	1.5
88.10123	0.4
89.03925	2.9
97.02898	4.8
98.21689	0.5
98.97573	1.2
103.05409	0.5
115.03927	18.0
116.98596	0.9
117.03378	12.9
120.81408	0.5
134.03674	0.7
134.99654	0.8
135.04382	1.6
141.01839	0.6
145.02847	55.4
146.99609	0.5
147.04398	1.9
149.05974	6.3
154.29501	0.5
158.99646	0.6
163.03885	1.7
177.05470	100.0
177.14804	0.6
178.05849	1.2
181.44081	0.5
186.05487	1.2
195.06531	9.3
210.24576	0.4
216.74164	0.5
219.01744	0.9
237.02855	2.1
279.06738	0.6
291.13474	0.7
309.09695	74.9
310.10046	1.1
339.07507	0.5
357.08575	1.4
389.10031	0.6
457.64539	0.5
471.12378	6.7
471.19214	0.7
471.21457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48877	2.5
55.05502	8.8
56.24750	2.8
59.04998	4.1
59.27593	2.9
65.03941	3.6
67.05495	14.8
69.07080	10.0
71.61697	3.9
79.05501	14.1
81.07066	15.3
83.08642	6.0
91.05484	16.1
93.07043	19.1
95.08608	33.9
96.80286	2.7
97.06557	4.1
105.07032	22.3
107.08601	27.9
109.10157	26.3
111.04453	16.1
111.08120	6.9
117.07007	6.6
119.08594	45.6
121.10166	15.0
123.08089	6.1
123.11745	5.6
129.06978	3.2
131.08569	9.4
133.10124	32.4
134.98218	4.9
135.08107	6.5
135.11697	6.0
137.09637	4.8
141.07045	2.6
142.07860	3.0
143.08572	9.6
145.10132	18.7
147.11649	21.9
149.09650	3.3
151.11217	6.0
157.10152	10.7
159.11717	16.9
161.13272	11.2
163.14853	7.5
165.09161	3.3
169.10178	4.5
171.11713	8.5
173.09726	4.2
173.13258	11.7
175.14874	4.5
179.10709	4.3
183.11641	6.7
185.13322	6.8
187.11188	6.1
187.14867	10.3
189.12827	3.3
189.16444	3.8
191.10780	4.2
195.11728	3.6
197.13316	7.2
199.14862	4.8
201.16425	6.3
203.10751	3.8
205.12245	4.8
211.14842	6.8
213.12825	4.6
213.16383	7.1
215.14488	4.2
217.12350	3.9
229.12117	5.6
229.19702	3.6
239.14307	5.0
239.18042	4.5
243.13904	3.5
253.19502	5.2
257.19037	7.2
271.20547	6.9
273.18198	3.6
275.20050	16.0
281.19070	9.6
289.21585	3.9
299.20114	49.0
317.21112	100.0
397.35986	3.2
407.28168	3.1
470.23480	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	470.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.0
55.01880	4.4
55.05497	3.4
57.03428	7.0
59.04980	5.2
59.18498	1.9
61.02916	3.4
66.33624	1.7
67.05495	4.0
69.03135	2.0
69.03435	26.4
69.07054	9.2
70.06573	9.2
70.95042	4.3
71.04991	23.2
71.65339	1.9
73.02911	3.8
78.04688	2.2
78.35085	1.8
79.05479	8.2
80.30546	2.1
81.03410	15.2
81.07056	48.9
83.04964	4.3
85.02909	40.7
86.09682	2.2
87.00829	9.5
87.04462	5.7
91.05474	6.9
93.07027	5.7
95.04951	5.5
95.08600	5.8
97.02881	17.8
97.06534	7.5
99.04429	5.7
99.08133	2.1
103.01884	1.8
105.01865	9.9
105.98559	2.0
107.04935	10.6
107.08592	12.4
109.02240	2.2
109.02847	11.5
109.06517	3.8
109.10162	16.9
109.64645	1.9
111.08077	3.2
111.11729	4.5
115.03915	5.1
119.04926	6.9
121.06493	2.7
121.10168	2.4
123.04435	4.9
123.08105	2.9
123.11713	29.0
124.05229	2.5
127.03908	27.4
127.11127	2.4
133.04951	3.2
133.10170	3.3
139.11185	11.7
141.09084	4.5
145.04942	8.6
147.04399	33.9
151.11201	29.8
153.12772	2.3
157.12222	13.2
159.02832	4.6
169.12242	82.2
180.95264	2.0
187.13300	100.0
205.14368	23.4
231.05014	3.4
273.13470	2.5
399.16385	2.6
417.17712	3.3
435.18701	14.7
470.16827	3.8
471.09229	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	470.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73408	0.9
52.85350	1.1
52.97653	0.9
55.05510	4.9
56.96557	1.2
67.05515	6.4
69.07072	4.5
70.06592	3.7
70.35882	1.6
70.36225	4.2
74.72227	1.1
79.05498	6.8
81.07063	10.8
83.08630	4.1
85.02940	1.0
88.07616	1.0
91.05489	6.4
93.07059	14.1
95.04982	1.8
95.08607	42.9
97.10170	3.1
105.07037	10.4
107.04963	1.8
107.08597	16.8
109.10149	12.8
111.04449	3.1
113.45547	1.0
117.07018	2.6
119.08583	15.0
121.06496	1.3
121.10142	13.4
123.08096	2.1
123.11719	6.5
125.05964	2.4
131.08574	3.2
133.10135	9.8
135.11693	8.6
137.05956	1.8
137.13226	1.5
143.08559	3.4
145.10127	8.4
147.11679	7.4
149.13287	4.8
151.07500	1.8
155.08638	1.1
157.10155	4.2
159.11682	8.2
161.09621	1.6
161.13266	6.1
163.07565	1.6
163.14867	2.0
165.09180	1.6
169.10204	1.7
171.11711	4.4
173.09683	2.3
173.13297	3.9
179.10689	3.0
183.11896	1.4
185.13277	5.9
187.11226	5.0
187.12776	1.2
187.14851	2.4
191.10687	2.7
191.17845	1.9
193.12408	1.2
195.11711	1.1
199.11208	2.4
199.14854	2.6
201.12759	1.3
201.16330	3.0
203.10799	1.3
203.18080	5.3
205.12259	6.6
205.13914	1.1
213.12776	2.8
213.16534	1.6
217.12282	2.8
219.13829	3.3
227.14262	2.4
231.13869	7.9
239.17958	2.5
241.19495	3.5
245.15491	5.0
255.20973	5.8
257.22745	1.0
265.19473	1.7
283.20569	9.7
300.10529	1.0
301.21622	100.0
302.22192	1.2
464.43484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
57.03423	0.2
60.32326	0.2
65.03936	1.0
67.05504	0.4
69.03442	0.2
69.48341	0.6
69.48769	0.8
70.06579	0.7
71.25340	0.1
74.06071	0.2
81.03397	0.2
81.07054	0.4
83.04973	0.3
83.62018	0.2
84.08160	0.2
85.02906	0.5
85.15448	0.2
86.09708	0.2
87.41619	0.2
91.05483	8.9
95.04961	1.1
96.05331	0.3
97.02906	0.8
102.04126	0.2
109.02780	0.2
111.04446	0.3
119.04950	21.3
120.05280	0.3
121.02851	0.4
123.04424	1.1
124.04769	0.3
125.02375	1.0
127.03906	0.4
140.04686	0.3
147.04414	100.0
148.04755	1.6
150.05499	0.2
155.07056	0.5
156.07353	0.4
165.05482	1.9
167.03415	0.3
177.05437	0.2
181.04991	0.4
182.05324	0.3
183.06532	1.0
184.06915	0.7
185.04453	2.1
225.07570	0.2
226.08125	0.3
271.04446	0.3
289.05698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23181	0.2
55.01868	0.3
55.05500	0.4
65.03935	1.1
67.05501	0.7
69.03415	0.8
69.07056	0.3
70.06596	1.5
70.56070	0.6
71.04975	0.8
79.05465	0.4
81.03400	0.7
81.07050	1.5
83.04971	0.5
84.08150	0.3
85.02907	1.5
85.06518	0.2
86.09720	0.5
91.05478	7.0
93.03395	0.4
94.44279	0.2
95.04974	1.5
97.02899	1.8
97.06536	0.4
99.04464	0.3
105.01830	0.7
105.07042	0.3
107.08557	0.4
109.02856	0.5
109.06503	0.2
111.04441	0.5
117.03323	0.2
119.04945	20.1
121.02863	0.7
123.04474	0.4
123.11719	0.5
125.02348	2.8
127.03920	1.2
139.03911	0.6
145.02814	0.4
145.04889	0.3
147.04407	100.0
148.04742	0.9
151.11186	0.6
159.02921	0.3
163.03894	0.4
165.05467	7.4
167.03403	0.5
169.12239	2.2
177.05443	0.9
181.96355	0.2
184.06830	0.3
185.04449	4.8
187.13278	1.9
203.05434	0.4
205.14345	0.3
256.96078	0.3
271.04449	0.4
287.05493	0.8
289.05511	0.8
381.25821	0.3
435.09122	0.5
435.18701	0.5
470.16849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01855	3.7
55.05508	10.0
57.03426	2.5
57.07056	3.3
59.04976	1.2
61.02901	1.0
63.80342	0.9
65.03940	1.2
67.05514	11.1
68.99797	0.9
69.03440	5.5
69.06722	1.6
69.07067	25.0
71.04991	3.2
71.59343	1.0
71.59746	1.1
73.02914	1.0
73.39495	0.9
79.05495	17.4
81.03413	3.5
81.07057	42.6
83.04978	7.6
83.08591	4.8
85.02905	6.9
85.06542	3.0
87.00825	1.9
89.03900	3.3
91.05485	11.2
93.07049	20.4
95.04955	7.3
95.08606	32.9
97.02893	4.1
97.06535	68.6
97.10161	2.3
98.06850	1.9
98.89568	1.1
98.98461	1.1
99.04453	1.0
99.08101	2.2
103.05456	1.4
105.01858	1.2
105.07035	28.5
106.07366	1.4
107.04942	2.7
107.08594	25.7
108.08934	1.1
109.02902	1.8
109.06510	5.3
109.10161	17.1
111.04417	1.7
111.08094	2.8
111.11722	1.5
113.30586	0.9
115.05392	1.4
117.03371	4.4
117.06307	0.9
117.07008	5.6
119.08580	34.0
120.08119	2.5
120.08913	1.3
121.06500	2.5
121.10137	15.4
123.08051	4.0
123.11716	6.6
125.09613	3.6
127.03896	3.1
128.06236	1.6
129.07013	3.4
131.08578	17.5
133.02838	2.0
133.10132	20.2
135.04419	9.5
135.08034	3.4
135.11694	11.4
136.07555	1.1
137.06000	1.7
137.09602	3.5
137.13261	13.9
138.09134	2.2
139.09460	1.1
139.11195	2.0
142.07834	1.6
143.08556	6.8
144.09314	1.7
145.02831	8.7
145.04922	1.4
145.10121	26.6
147.04413	2.0
147.08009	1.7
147.11710	15.7
149.09581	2.6
149.13251	8.1
151.11153	1.1
155.08540	1.7
156.09381	1.6
157.10100	8.1
159.03056	1.3
159.04414	4.3
159.08092	1.8
159.11700	24.0
160.12079	1.2
161.02347	16.9
161.05991	1.7
161.09605	3.8
161.13269	13.7
163.03908	57.0
163.11182	2.3
163.14830	7.1
164.04274	2.5
165.12842	1.8
166.08652	2.2
167.07007	1.1
167.08636	1.5
169.10155	3.9
171.11632	6.7
173.02350	48.8
173.09628	2.4
173.13269	16.1
174.02730	2.0
175.03995	1.4
175.11163	2.8
175.14822	14.5
177.05484	2.5
177.12711	2.0
177.16380	6.2
179.14288	1.8
181.10124	1.7
181.11627	0.9
183.11699	2.9
184.07404	1.0
185.06001	2.7
185.13283	12.3
187.03934	1.1
187.07516	2.8
187.11194	1.5
187.14825	18.4
189.12726	3.2
189.16403	11.1
191.03325	3.1
191.14334	12.2
191.17943	2.8
193.15826	2.0
197.13264	3.7
199.14827	11.3
201.12700	2.2
201.16403	21.2
203.14355	6.7
203.18092	7.4
205.15897	18.2
207.17445	1.7
211.14799	3.3
213.12927	1.1
213.16389	8.7
215.07030	64.1
215.14311	3.2
215.17934	4.1
216.07391	6.0
217.15852	6.0
217.19438	1.2
219.17395	12.3
221.15366	6.1
225.16394	2.1
227.17906	2.5
229.15926	3.8
231.13937	1.3
231.17528	4.9
233.07742	1.2
233.15424	2.3
233.18990	2.7
241.08803	1.4
241.19542	2.2
243.17635	1.4
245.18867	1.5
247.16869	2.1
251.16301	1.3
253.19559	1.3
259.09674	100.0
260.10004	11.6
269.19086	1.3
277.10715	86.4
278.11041	6.0
283.20584	1.7
303.13339	3.6
304.13693	5.0
311.23557	1.2
365.28378	1.4
375.29764	1.2
387.30533	2.3
393.31635	5.7
395.32986	1.9
405.31567	10.5
407.32901	2.4
411.32758	2.5
423.32700	15.6
433.30994	2.5
439.32120	4.7
451.32205	12.6
469.21405	3.8
469.33218	21.8
475.68011	1.1
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
53.03944	6.9
55.01860	10.8
55.05510	28.3
57.03428	14.7
57.07056	10.3
59.04991	6.4
61.02919	12.3
65.03953	8.2
67.05504	42.8
68.99788	12.2
69.03430	73.0
69.07068	37.0
69.52071	38.1
71.04996	42.0
73.02921	5.5
79.05494	40.2
81.03421	60.0
81.07054	100.0
83.04971	12.3
83.08610	18.7
85.02902	65.5
85.06548	7.5
87.00828	34.9
87.04462	5.5
91.05483	51.3
93.07039	86.1
95.04955	26.6
95.08609	93.1
97.02892	42.5
97.06531	37.4
97.10185	11.9
99.04455	19.2
99.08094	6.7
103.03957	7.3
105.01848	19.6
105.07031	88.4
107.04935	9.1
107.08594	81.9
109.02882	23.0
109.06522	9.2
109.09451	8.0
109.10158	90.0
109.28484	3.9
111.04442	12.4
111.11722	6.7
115.03909	21.0
117.07011	20.9
119.08580	91.8
120.09854	4.7
121.06462	21.0
121.10140	69.6
123.04425	10.4
123.08072	10.3
123.11705	44.6
125.09628	13.9
127.03901	35.3
127.11184	40.3
128.06250	7.4
129.01851	16.6
129.05461	6.2
129.07008	8.8
131.08585	30.5
133.10123	65.9
135.04375	8.6
135.08055	4.9
135.11679	45.5
137.05957	8.2
137.09639	13.0
137.13252	13.3
139.07559	4.6
141.06931	5.2
142.07817	4.7
143.08557	19.6
144.09351	6.2
145.04982	9.1
145.06471	9.8
145.10112	60.0
147.02863	8.4
147.08026	12.3
147.11711	66.9
149.09612	8.9
149.13275	36.8
151.11223	7.8
153.12724	10.9
155.08565	14.4
157.10106	35.6
159.02890	12.1
159.04216	7.4
159.11703	64.7
161.02373	7.9
161.09647	15.1
161.13264	28.8
163.03947	33.2
163.07486	6.2
163.11165	8.6
163.14825	6.4
165.12781	6.8
167.08629	6.0
167.10680	5.2
169.10110	11.6
171.08055	7.3
171.11661	22.5
173.02374	17.6
173.09644	7.0
173.13275	25.8
175.11211	15.7
175.14835	23.0
177.12697	5.6
177.16344	10.2
181.10083	4.7
183.11696	13.5
185.09550	5.9
185.13284	11.8
187.11180	4.9
187.14833	18.2
189.04100	10.9
189.09137	6.8
189.12743	10.5
189.16327	20.2
191.14297	10.3
191.17859	8.3
193.15834	6.0
193.19571	7.7
195.11795	5.6
197.13219	12.6
199.11230	7.8
199.14787	10.3
201.03928	9.4
201.12767	10.5
201.16356	25.1
203.10637	6.9
203.14374	5.6
203.17957	56.2
205.15933	5.0
205.19562	10.8
207.11751	8.6
209.13423	5.3
213.12819	8.0
213.16344	15.3
215.07126	22.5
215.18011	9.3
217.15739	5.5
219.04979	5.5
219.17459	19.7
221.18971	26.3
223.14819	6.0
225.12746	12.5
227.17886	8.5
231.05133	6.8
231.17473	10.9
233.18996	10.2
237.16521	4.9
241.15970	7.9
243.13924	9.0
243.17407	12.3
245.19012	14.9
255.17413	5.4
257.18988	7.1
259.09677	35.7
259.17023	6.8
260.09949	12.0
261.18393	5.9
263.20038	15.1
269.18982	4.6
275.20157	5.1
277.10776	27.7
285.18607	4.6
287.20316	5.9
293.18872	6.2
305.20929	8.6
311.20026	24.7
329.21161	34.0
347.22153	7.5
397.98117	4.4
405.31348	5.4
415.21115	15.9
433.22137	25.5
451.23206	35.6
451.31796	4.4
469.24387	30.4
469.33237	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	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
55.01860	10.8
55.05510	28.3
57.03428	14.7
57.07056	10.3
59.04991	6.4
61.02919	12.3
65.03953	8.2
67.05504	42.8
68.99788	12.2
69.03430	73.0
69.07068	37.0
69.52071	38.1
71.04996	42.0
73.02921	5.5
79.05494	40.2
81.03421	60.0
81.07054	100.0
83.04971	12.3
83.08610	18.7
85.02902	65.5
85.06548	7.5
87.00828	34.9
87.04462	5.5
91.05483	51.3
93.07039	86.1
95.04955	26.6
95.08609	93.1
97.02892	42.5
97.06531	37.4
97.10185	11.9
99.04455	19.2
99.08094	6.7
103.03957	7.3
105.01848	19.6
105.07031	88.4
107.04935	9.1
107.08594	81.9
109.02882	23.0
109.06522	9.2
109.09451	8.0
109.10158	90.0
109.28484	3.9
111.04442	12.4
111.11722	6.7
115.03909	21.0
117.07011	20.9
119.08580	91.8
120.09854	4.7
121.06462	21.0
121.10140	69.6
123.04425	10.4
123.08072	10.3
123.11705	44.6
125.09628	13.9
127.03901	35.3
127.11184	40.3
128.06250	7.4
129.01851	16.6
129.05461	6.2
129.07008	8.8
131.08585	30.5
133.10123	65.9
135.04375	8.6
135.08055	4.9
135.11679	45.5
137.05957	8.2
137.09639	13.0
137.13252	13.3
139.07559	4.6
141.06931	5.2
142.07817	4.7
143.08557	19.6
144.09351	6.2
145.04982	9.1
145.06471	9.8
145.10112	60.0
147.02863	8.4
147.08026	12.3
147.11711	66.9
149.09612	8.9
149.13275	36.8
151.11223	7.8
153.12724	10.9
155.08565	14.4
157.10106	35.6
159.02890	12.1
159.04216	7.4
159.11703	64.7
161.02373	7.9
161.09647	15.1
161.13264	28.8
163.03947	33.2
163.07486	6.2
163.11165	8.6
163.14825	6.4
165.12781	6.8
167.08629	6.0
167.10680	5.2
169.10110	11.6
171.08055	7.3
171.11661	22.5
173.02374	17.6
173.09644	7.0
173.13275	25.8
175.11211	15.7
175.14835	23.0
177.12697	5.6
177.16344	10.2
181.10083	4.7
183.11696	13.5
185.09550	5.9
185.13284	11.8
187.11180	4.9
187.14833	18.2
189.04100	10.9
189.09137	6.8
189.12743	10.5
189.16327	20.2
191.14297	10.3
191.17859	8.3
193.15834	6.0
193.19571	7.7
195.11795	5.6
197.13219	12.6
199.11230	7.8
199.14787	10.3
201.03928	9.4
201.12767	10.5
201.16356	25.1
203.10637	6.9
203.14374	5.6
203.17957	56.2
205.15933	5.0
205.19562	10.8
207.11751	8.6
209.13423	5.3
213.12819	8.0
213.16344	15.3
215.07126	22.5
215.18011	9.3
217.15739	5.5
219.04979	5.5
219.17459	19.7
221.18971	26.3
223.14819	6.0
225.12746	12.5
227.17886	8.5
231.05133	6.8
231.17473	10.9
233.18996	10.2
237.16521	4.9
241.15970	7.9
243.13924	9.0
243.17407	12.3
245.19012	14.9
255.17413	5.4
257.18988	7.1
259.09677	35.7
259.17023	6.8
260.09949	12.0
261.18393	5.9
263.20038	15.1
269.18982	4.6
275.20157	5.1
277.10776	27.7
285.18607	4.6
287.20316	5.9
293.18872	6.2
305.20929	8.6
311.20026	24.7
329.21161	34.0
347.22153	7.5
397.98117	4.4
405.31348	5.4
415.21115	15.9
433.22137	25.5
451.23206	35.6
451.31796	4.4
469.24387	30.4
469.33237	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.4
55.01859	9.1
55.05505	12.9
57.03431	2.9
57.07065	3.9
61.02898	4.3
65.00066	2.8
65.03941	4.7
67.05501	27.6
68.14842	3.2
69.03432	24.5
69.07063	19.7
71.04983	6.5
73.02915	5.1
79.05497	22.3
81.03413	20.3
81.07056	55.0
82.40175	3.8
83.04998	16.0
83.08611	10.1
85.02905	46.7
85.06519	3.1
87.00833	16.9
91.05479	39.8
93.07049	93.0
93.35307	3.5
95.04957	13.3
95.08614	50.5
95.20364	3.1
97.02894	19.1
97.06513	9.1
97.10175	3.2
99.04443	12.4
103.03931	3.8
105.01883	17.0
105.07031	58.8
107.08596	40.1
109.02882	22.9
109.06511	8.8
109.10159	55.4
111.04453	6.5
111.08074	30.9
115.03925	5.7
117.06979	4.7
119.08582	51.3
121.06486	5.2
121.10151	38.6
123.04349	4.7
123.08066	8.3
123.11722	18.2
125.09610	7.7
127.03928	38.6
131.08577	13.9
133.06439	3.7
133.10110	29.1
135.08002	3.9
135.11691	29.9
137.09579	6.4
143.08607	7.6
145.04961	13.1
145.10124	15.0
147.02922	3.8
147.08014	4.0
147.11691	61.8
149.09595	5.3
151.11285	3.3
153.09175	4.4
155.08601	4.4
157.10138	8.9
159.02911	11.5
159.08035	4.1
159.11667	11.0
160.21362	3.3
161.05890	3.4
161.09595	4.1
161.13257	23.7
163.11102	4.4
163.14806	4.0
165.12813	3.9
169.10092	5.0
171.11653	7.0
173.09630	3.8
173.13283	5.3
175.14804	8.6
177.12735	4.4
181.10057	3.7
183.11754	4.7
185.13248	6.2
187.11176	3.4
187.14839	7.6
189.03918	5.0
201.12813	4.5
201.16406	14.0
203.17967	100.0
215.17960	7.8
219.17409	6.9
221.18967	16.6
231.05019	7.7
235.42572	3.9
245.19019	5.1
269.19019	4.5
293.18912	3.8
311.20047	9.7
318.15634	4.0
329.21179	5.0
329.38950	3.9
433.22299	7.6
451.23029	9.7
451.31662	4.1
465.20572	3.6
473.05716	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	469.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01834	0.7
55.05513	7.4
57.03442	5.5
57.07058	0.7
60.65460	0.6
67.05505	26.8
69.03391	0.8
69.07062	6.6
70.13790	3.4
79.05493	14.1
81.07059	23.5
83.04961	1.4
83.08611	1.9
85.06504	1.0
91.05477	6.2
93.07040	16.8
95.04948	2.2
95.08607	19.2
97.06516	0.7
97.10165	1.1
98.21529	0.7
105.07034	3.2
107.08600	7.6
109.10152	6.4
117.06983	1.4
119.08582	2.6
121.10162	4.5
123.08092	0.6
123.11688	1.9
131.08577	2.1
133.10103	1.7
134.98187	100.0
135.11676	1.9
145.10150	1.6
147.11661	1.0
149.13268	1.2
152.99263	2.1
159.11670	0.8
163.39853	0.7
173.13312	1.1
176.00848	4.5
189.00061	1.7
209.01845	2.0
227.01738	1.7
235.33409	0.7
301.20020	1.2
335.25809	36.9
336.26263	1.1
357.24011	21.8
358.24048	0.9
375.25330	1.1
443.31424	0.7
469.23260	70.9
470.23489	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	469.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.05514	10.4
57.03436	9.2
59.98928	0.7
61.27900	0.7
62.53764	0.9
65.03938	1.9
67.05505	35.7
69.07068	8.3
69.51411	7.5
71.04982	1.2
79.05492	17.8
81.07055	29.7
82.30913	0.8
83.08614	3.2
91.05482	8.3
93.07042	20.8
95.04983	2.2
95.08607	21.7
97.06548	0.8
97.10158	1.4
103.23449	0.7
105.07026	4.7
107.08593	8.6
107.26146	0.7
109.10161	7.4
115.19109	0.8
117.06999	1.9
119.08570	3.7
121.10152	5.8
123.11707	1.1
124.37170	0.8
131.08566	1.8
133.10147	1.8
134.98187	100.0
135.11684	2.7
145.10104	1.7
149.13228	1.6
152.99252	2.0
161.13231	0.8
176.00801	1.4
209.01895	2.0
218.23906	0.9
220.65689	0.9
239.48027	0.9
284.62909	0.8
335.25800	34.5
357.23975	19.5
445.01797	0.8
469.23279	74.8
470.23569	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
55.08041	0.4
57.03442	1.2
59.76989	0.4
61.80280	0.5
67.05506	7.7
69.07067	1.9
70.42199	1.8
79.05494	4.3
81.07061	6.5
83.08626	1.5
87.90882	0.6
91.05485	2.9
93.07056	5.5
95.08605	3.9
105.07024	1.9
107.08598	2.3
109.10165	1.7
117.06999	0.6
119.08583	2.0
120.10040	0.6
121.10131	1.5
129.19318	0.5
131.08583	0.7
133.10176	0.6
134.98190	17.7
135.11700	1.1
135.79218	0.5
145.10133	0.8
158.70335	0.5
176.00914	0.7
176.99184	0.6
209.01884	2.6
279.70740	0.5
315.27942	1.1
335.25824	3.9
357.23956	2.2
375.25101	2.0
437.20679	1.8
451.22324	2.2
469.23288	100.0
470.23599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05502	1.3
57.07073	4.3
65.03954	0.4
67.05167	0.6
67.05503	8.0
69.07065	10.1
71.08621	1.4
71.39070	0.6
76.86655	0.4
79.05492	5.7
81.07054	100.0
82.07388	1.1
92.53294	0.3
93.07030	1.2
95.08604	47.8
98.98459	5.2
109.10151	2.7
137.13249	63.5
138.13632	0.7
235.10954	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	469.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58477	0.5
53.85308	0.5
55.05513	1.0
57.07080	4.9
67.05509	7.6
68.37572	0.5
69.07069	8.8
70.51173	1.7
71.08629	1.2
71.24825	0.5
76.79523	0.4
79.05489	5.7
81.07060	100.0
93.07059	1.2
95.08612	43.9
98.98482	6.3
109.10145	3.1
117.28562	0.5
120.09740	0.5
137.13263	77.9
145.94281	0.6
147.78508	0.6
177.25198	0.5
235.10963	5.4
249.84731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10793	0.1
53.03949	0.5
55.05503	1.2
55.22418	0.1
57.07076	4.2
65.03949	0.5
67.05125	0.2
67.05505	8.7
69.07068	9.0
70.07410	0.2
70.95901	0.4
71.08630	1.0
71.97358	0.1
79.05495	6.0
81.07056	100.0
82.07387	1.4
85.02892	0.4
85.06557	0.5
91.05485	0.3
93.07041	1.0
95.04977	0.4
95.08606	45.5
96.08942	0.8
98.21421	0.2
98.98467	5.4
107.08585	0.3
109.10161	2.6
116.99481	0.3
117.88622	0.2
135.11697	0.2
137.13254	64.6
138.13588	1.0
145.10202	0.1
148.36479	0.2
159.11679	0.3
163.03918	0.3
167.04706	0.2
173.13249	0.2
184.95067	0.2
201.12828	0.3
211.34784	0.1
215.06992	0.2
217.37012	0.2
235.10931	4.7
235.13199	0.3
236.11299	0.2
243.63736	0.2
277.10849	0.3
308.45837	0.1
467.02228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
54.33356	0.9
55.01886	4.9
55.05502	4.7
56.02235	0.8
57.03181	1.3
57.03438	15.4
61.02914	1.3
65.03933	3.4
67.01837	0.9
67.05505	33.8
68.99786	1.4
69.03429	7.8
69.07066	4.7
71.00955	1.5
71.01353	23.5
71.04993	8.3
71.23106	1.1
71.23438	1.3
72.52965	0.8
73.02917	27.6
75.04469	3.4
79.05056	1.5
79.05495	22.4
81.03424	2.5
81.07057	19.1
83.01329	4.0
83.04985	6.5
85.02906	57.2
85.06548	13.3
87.04488	1.4
91.04909	1.1
91.05478	25.8
93.07041	28.1
95.01334	11.4
95.04970	49.7
95.08608	15.3
97.02884	8.5
97.06529	26.0
99.00817	6.7
99.04463	6.6
101.02395	7.6
101.06039	1.1
103.03951	14.5
103.05458	4.0
105.07031	57.8
106.07381	1.0
107.04963	3.2
107.08588	20.7
109.06523	3.9
109.10158	3.8
111.04439	1.4
111.08089	1.6
113.02380	22.5
113.05968	2.4
115.05453	2.4
116.06229	1.2
117.01870	1.0
117.03390	1.4
117.05515	2.4
117.07021	19.4
119.04932	2.6
119.07788	1.8
119.08591	22.3
121.06496	10.6
121.10155	2.6
123.04404	1.1
123.08074	7.4
128.06238	2.3
129.05489	2.8
129.07002	9.9
130.07814	1.6
131.03409	15.7
131.04889	1.2
131.08572	57.9
133.06503	3.8
133.10127	10.4
135.04404	1.1
135.08035	6.7
135.11664	1.4
137.05974	1.0
137.09618	5.7
141.01834	23.4
141.06982	5.0
142.07755	3.8
143.08563	7.1
144.09340	3.5
145.02829	1.6
145.04948	1.7
145.06525	5.5
145.10124	28.4
146.10515	1.4
147.04466	1.2
147.11671	8.7
149.09645	1.8
149.13297	1.6
153.07062	1.9
154.07739	1.0
155.08519	10.0
156.09337	1.3
157.10141	15.4
158.10921	2.9
159.02902	6.4
159.04240	1.9
159.06734	1.4
159.08035	7.1
159.11700	40.1
160.08899	0.9
161.02364	4.6
161.09607	1.6
161.13245	3.1
163.03906	12.6
163.07559	1.9
163.14861	1.3
165.07024	1.1
168.09348	4.6
169.05031	1.4
169.08635	7.2
169.09958	1.9
171.06474	1.0
171.11653	6.2
173.02342	6.2
173.09651	6.0
173.13268	80.9
174.13596	2.2
175.11237	2.8
175.14825	2.7
177.03928	1.3
177.12756	11.4
181.10176	1.2
183.11700	17.4
185.13310	3.2
187.06024	2.1
187.07495	1.1
187.11133	1.0
187.14781	1.7
189.12677	1.5
189.16458	1.4
191.14313	37.3
191.16060	1.8
197.06172	0.9
197.13293	2.4
199.11229	1.8
199.14885	1.8
201.12752	100.0
202.13063	2.4
203.14323	2.1
203.17961	1.2
211.09563	1.0
213.12819	1.8
215.05418	3.9
215.07185	13.7
215.14331	1.2
216.07533	1.2
216.26895	0.9
217.12286	2.2
219.13805	52.3
220.14114	1.3
225.12744	1.9
233.06622	3.0
237.14784	1.7
243.13817	2.5
259.09634	6.6
260.09940	1.1
261.14957	0.9
265.87827	0.9
275.16428	6.3
277.10703	26.7
278.11026	1.3
290.10223	2.9
291.16019	1.0
293.17477	51.1
294.17865	1.7
307.12897	3.3
317.17444	1.4
325.03656	1.5
331.15637	1.0
335.18500	2.0
341.13858	1.0
345.11819	40.4
346.12366	1.6
377.15936	3.4
406.77490	1.1
415.17578	1.9
433.18719	3.0
451.19644	9.4
469.20743	80.6
470.21188	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	469.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
54.80093	1.5
55.01862	6.7
55.05510	13.8
57.03440	21.3
61.02917	3.7
61.35143	1.4
61.93319	1.7
65.03934	7.0
67.05506	69.3
69.03429	16.2
69.07068	5.5
69.47433	12.9
70.06599	2.8
71.01362	29.3
71.04998	18.4
73.02920	42.8
75.04485	2.9
77.85537	1.5
79.05057	2.2
79.05495	30.8
81.03419	14.4
81.06580	1.9
81.07059	33.9
82.04218	2.2
82.06580	2.0
82.45867	1.4
83.01345	4.9
83.04985	12.1
83.08614	5.7
84.08121	1.4
85.02907	65.9
85.06541	17.2
87.00864	1.6
91.05480	36.5
91.06013	3.0
93.07046	36.4
95.01342	8.6
95.04971	93.6
95.08620	14.6
96.08154	1.6
97.02896	16.2
97.06523	17.5
98.09683	11.2
98.97594	3.6
99.00807	7.2
99.04475	12.0
99.08105	2.2
100.07616	3.9
100.11263	28.6
101.02390	13.1
103.03951	17.8
103.05451	3.1
105.07032	70.4
107.04949	3.9
107.08591	31.2
109.02871	5.8
109.06521	4.9
109.10160	7.1
110.06008	1.4
111.04468	4.0
111.08029	3.1
112.07644	1.7
113.02379	32.9
113.03178	1.1
113.06018	3.9
115.05497	2.1
117.05514	3.4
117.07018	22.9
119.04967	5.6
119.07795	2.1
119.08585	27.7
121.06519	10.1
121.10142	6.7
123.08051	8.7
126.09155	2.0
127.03912	2.9
128.07101	4.6
129.05490	3.7
129.07005	9.3
130.07788	3.5
131.03429	17.5
131.04890	1.7
131.08568	71.7
133.06422	1.5
133.10133	18.0
135.08066	5.9
135.11690	3.8
137.06012	2.7
137.09621	16.5
139.07541	2.2
141.01842	21.6
141.07007	4.8
142.07751	2.8
143.08583	10.1
144.09319	4.5
145.04994	3.0
145.06485	3.8
145.10126	33.2
147.04416	7.1
147.08040	2.2
147.09186	2.4
147.11697	15.1
149.13274	2.4
153.06989	2.3
155.07428	1.5
155.08568	10.6
157.10121	13.6
158.10896	3.1
159.02930	8.0
159.04077	1.4
159.06714	2.2
159.08084	7.8
159.11690	38.3
161.05977	1.8
161.09567	1.9
161.13246	3.7
163.03899	3.2
168.09398	2.2
169.06624	1.4
169.07146	1.7
169.08607	13.5
169.10014	2.5
171.11694	5.5
173.07130	3.8
173.09660	3.8
173.13271	66.7
174.13646	1.7
175.08728	4.3
175.11218	3.0
175.14812	4.0
177.09213	2.7
177.12744	17.5
180.13945	2.7
182.15393	10.0
183.11684	12.0
185.13322	2.3
186.10454	1.8
187.06085	3.5
187.14764	1.6
189.12679	2.3
191.08157	35.6
191.14316	45.5
192.14778	1.9
197.13217	1.4
198.14923	3.6
199.14787	1.5
201.12746	72.3
205.15948	2.7
207.14980	3.4
208.13322	2.4
209.16573	4.9
210.14891	9.6
211.09668	2.7
215.05472	6.7
215.07101	6.8
219.13800	51.7
219.17265	2.4
225.15924	3.0
226.14461	5.1
227.17639	2.2
228.16011	1.7
233.06642	4.3
237.14865	3.6
243.13853	2.6
246.14963	4.7
246.65057	2.2
252.09372	9.5
259.09714	2.4
275.16501	3.4
277.10760	6.9
289.11819	3.1
291.03745	1.6
293.17419	26.3
307.12704	8.9
317.17480	2.6
324.26550	3.0
325.13995	10.5
337.21417	3.3
345.11810	73.7
346.12106	2.1
349.13977	5.0
354.24142	3.3
415.14923	3.3
433.15652	7.2
433.31989	3.4
451.19879	7.1
451.32767	33.4
452.31488	3.2
469.20779	100.0
469.33777	39.0
470.21155	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.6
55.05521	8.6
57.03434	17.2
61.02930	3.1
65.03951	4.5
67.05506	43.5
68.99808	2.3
69.03436	11.8
69.07080	6.7
69.78024	10.5
71.01357	25.5
71.01665	2.0
71.04987	14.3
73.02921	33.0
75.04482	4.0
79.05495	23.4
80.26719	2.0
81.03495	3.6
81.07072	24.3
83.01369	4.1
83.05009	8.7
85.02911	62.7
85.06548	21.3
87.04495	2.8
91.05482	35.5
93.07053	33.4
95.01308	11.3
95.04974	47.0
95.08618	14.4
97.02898	14.3
97.06536	21.1
97.07028	2.0
99.00865	8.6
99.04507	5.6
99.08144	2.4
101.02383	12.8
103.03957	17.1
103.05553	2.4
105.07036	64.0
107.05048	3.8
107.08621	23.2
109.06579	7.4
109.10200	5.9
111.04475	3.3
111.08150	5.3
113.02374	26.8
115.05502	2.8
116.06270	3.1
117.05563	2.8
117.07023	21.3
119.05007	5.4
119.08592	23.4
121.06507	14.6
121.10194	7.4
123.08122	4.1
127.03958	4.1
128.06255	2.6
128.07152	2.6
129.05566	2.9
129.06999	10.7
131.03389	13.8
131.08578	73.4
133.06549	4.6
133.10133	11.9
135.08131	7.0
135.11740	2.6
137.09677	8.4
141.01836	22.5
141.02711	1.8
141.07085	4.7
142.07806	4.0
143.08565	10.3
144.09419	4.3
145.05083	2.1
145.06567	5.4
145.10133	36.8
147.04445	3.5
147.08131	3.9
147.11676	13.4
149.09738	3.5
149.13324	2.8
155.08531	10.3
157.05064	2.5
157.10155	19.4
158.10947	4.9
159.02969	6.1
159.06712	2.6
159.08173	8.3
159.11691	36.9
161.13382	4.3
163.04022	5.2
168.09438	4.6
169.06528	3.4
169.08708	5.7
171.11772	5.1
173.02362	1.9
173.09781	6.7
173.13278	79.0
175.11232	4.6
175.14938	3.1
177.09312	2.4
177.12791	11.6
183.11717	19.8
185.13321	2.6
187.06111	2.7
189.12914	2.7
191.14320	37.3
201.12761	100.0
205.15970	2.5
210.15013	2.8
215.05492	4.3
215.07249	7.1
217.12440	2.1
219.13812	52.5
225.12914	2.3
227.02292	1.9
233.06546	2.6
259.09891	5.5
260.10159	3.4
275.16599	5.3
277.10870	6.4
289.18048	3.1
293.17490	45.0
293.20309	2.8
308.59039	2.5
345.11862	38.7
345.15790	2.7
377.16367	2.6
433.19031	2.9
451.19855	11.1
469.21127	77.3
469.34186	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	469.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01872	2.4
55.05519	2.8
57.03437	3.1
67.05491	1.4
69.03080	0.7
69.03430	10.7
69.07067	1.1
71.01360	2.4
71.04995	6.0
71.09353	1.1
73.02917	3.4
79.05471	1.2
81.03422	23.9
81.07070	4.6
83.04984	5.0
83.08629	1.0
85.02907	6.0
85.06545	15.2
86.09700	1.8
91.05473	2.5
93.07059	2.6
95.01369	1.2
95.04952	1.7
95.08590	1.5
97.02903	1.1
97.06525	1.6
98.09689	1.3
99.04454	11.4
99.08100	0.7
100.11265	2.8
101.02401	0.9
103.03961	3.1
104.10754	2.4
105.07037	4.9
105.11075	0.7
107.04996	0.6
107.08607	2.2
109.02882	9.3
109.10110	1.0
111.04450	0.9
113.02362	1.5
116.10729	1.2
117.05463	2.6
117.07028	1.5
118.06545	1.9
119.04924	0.5
119.08595	4.5
121.06525	0.9
121.10105	0.9
123.08045	1.3
125.00018	1.0
125.09643	0.7
126.57467	0.5
127.03902	2.9
128.07065	0.7
129.06987	1.3
131.03444	1.6
131.08574	6.1
133.10132	1.5
135.08032	0.5
135.11743	0.5
141.01840	3.2
142.07779	1.0
143.08539	1.8
144.09344	1.5
145.06525	0.9
145.07596	3.9
145.10107	4.7
147.04411	1.6
147.08112	1.0
147.09171	8.3
147.11690	1.8
148.04727	0.7
149.13206	0.8
155.08514	0.7
157.10164	4.3
158.10876	1.1
159.08064	1.4
159.11707	11.3
160.11760	0.4
161.13234	0.7
162.07874	1.0
163.03918	0.8
163.08691	1.3
163.14799	0.6
169.10165	0.5
171.11671	1.5
173.07120	8.8
173.13286	11.4
175.08679	10.7
175.11118	0.6
175.14871	0.7
177.12799	0.7
182.15405	1.7
183.11717	2.1
184.07317	2.5
185.13297	1.0
187.14818	1.5
190.07355	0.7
191.08162	100.0
192.08473	0.9
198.14903	2.0
199.08720	0.8
199.14861	0.6
201.12755	10.8
201.16420	0.8
203.08188	0.5
203.20763	0.5
204.08945	0.9
205.09857	0.7
205.15857	0.7
209.16434	0.6
210.14885	2.7
213.10097	0.6
215.07037	2.8
217.15962	0.5
219.13806	2.6
226.14383	1.8
227.17654	0.5
231.11292	1.6
233.09225	1.2
233.95398	0.5
243.11151	0.8
244.20255	0.9
259.09686	1.5
271.10867	2.7
275.16275	0.6
277.10641	3.1
289.11823	7.7
293.17474	6.0
307.12894	32.8
308.13306	1.0
325.13962	33.0
328.38129	0.5
331.12845	7.0
337.21371	1.3
349.13943	6.7
354.23822	1.6
369.66199	0.5
371.16141	1.6
385.15390	0.7
389.17117	5.3
397.13986	4.6
407.17874	0.7
415.15060	11.0
423.32236	0.8
433.16055	13.9
451.17059	12.4
451.32578	1.3
452.31165	1.6
469.20251	4.7
469.33688	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	469.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.6
51.02382	1.2
53.03945	7.4
55.00648	0.5
55.01873	3.6
55.05492	0.6
56.02209	0.6
56.96584	0.7
61.02915	1.8
61.40125	0.6
65.03942	4.0
67.05510	5.3
69.03439	1.8
70.06583	1.2
70.84663	1.6
71.01358	1.5
71.04967	0.7
77.03944	0.7
79.05497	1.9
81.03414	1.7
81.07056	1.7
82.04183	0.8
84.08125	0.6
85.02905	2.5
91.05488	4.7
93.07059	0.8
95.04969	72.6
95.08594	0.7
97.02914	0.9
97.06545	1.0
98.20861	0.6
103.05435	0.8
105.03389	1.7
105.04524	2.9
105.07064	0.9
107.04968	2.5
107.08569	0.5
108.02113	1.8
109.02906	0.7
109.06526	2.6
110.03741	0.5
111.04440	1.6
114.98907	0.5
116.98605	0.9
119.04942	3.4
121.06521	0.9
123.04430	76.7
125.02374	1.4
125.06007	1.6
127.03925	0.9
127.07573	1.1
131.04936	0.8
133.02864	4.7
133.06479	1.5
135.04431	1.2
137.05962	5.5
139.03897	0.8
140.03586	1.1
140.04681	23.5
142.02612	0.7
142.39500	0.6
147.04410	7.8
148.05164	0.5
149.05977	2.4
151.03902	2.0
151.07565	2.6
152.04671	0.7
153.05435	3.0
154.06187	0.7
155.07033	41.7
161.06145	0.5
163.03905	2.9
165.05450	7.1
166.06224	1.5
167.07033	18.6
169.09747	0.6
171.06535	1.5
173.08067	0.9
177.05449	5.9
179.07008	3.4
180.07872	4.1
181.04961	26.6
182.05725	1.0
183.06531	100.0
184.06970	1.0
193.04994	4.3
193.08559	0.7
195.06517	5.0
197.08095	1.6
207.06548	3.4
208.07280	9.1
209.08058	7.0
219.06566	1.1
221.11600	0.9
225.07582	24.4
225.09821	1.3
226.08339	7.3
227.09096	2.2
237.02687	0.9
240.12718	0.6
243.08749	2.0
248.33896	0.6
249.10933	0.9
269.10001	0.7
290.18332	0.7
314.70801	0.6
355.11639	0.9
359.11252	1.6
383.16574	1.6
425.17764	2.4
433.14334	0.6
469.12112	11.3
469.17303	2.4
472.17679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
55.01860	0.3
55.05502	0.4
57.03407	0.2
57.07073	0.1
67.05500	0.7
68.99828	0.1
69.03441	0.8
69.06723	0.2
69.07072	2.0
71.04985	0.2
71.59766	0.2
79.05496	1.1
81.03425	0.5
81.07067	1.5
81.23960	0.1
83.04976	0.3
83.08592	0.2
85.02917	0.8
85.06564	0.1
87.00827	0.2
87.04465	0.2
89.03915	0.2
90.91691	0.1
91.05487	0.6
93.07061	1.0
95.04956	0.4
95.08614	1.3
97.02885	0.3
97.06535	5.9
98.06865	0.2
99.04470	0.1
99.08088	0.2
100.11198	0.1
105.01859	0.1
105.03393	0.2
105.07042	1.5
107.08604	1.1
109.02875	0.3
109.06488	0.2
109.10175	1.1
111.04471	0.1
111.08073	0.2
117.03355	0.3
117.07035	0.2
119.08603	1.1
121.10139	0.7
123.04427	0.2
123.11726	0.3
125.09609	0.2
127.03915	0.5
131.08539	0.5
133.02805	0.2
133.10159	1.1
135.04405	0.7
135.11687	0.4
137.05980	0.3
137.09595	0.2
137.13257	0.2
143.08551	0.3
145.02846	0.6
145.05006	0.3
145.10106	0.8
147.04442	0.3
147.11671	1.2
149.13246	0.3
151.07513	0.1
151.11183	0.1
153.01808	0.7
157.10126	0.3
158.76352	0.1
159.02975	0.1
159.04431	0.5
159.08076	0.2
159.11751	0.6
161.02348	1.4
161.05997	0.1
161.13278	0.5
163.03917	4.9
164.04320	0.2
171.11748	0.2
173.02353	3.5
173.03865	0.2
173.13258	0.5
174.02708	0.2
175.14827	0.3
177.16464	0.2
183.11781	0.1
185.05995	0.2
185.13211	0.2
187.14825	0.4
189.12732	0.1
189.16420	0.4
191.03389	0.2
192.04170	8.5
193.04933	0.6
199.14868	0.2
201.16431	0.5
203.14331	0.4
203.17943	1.3
205.15927	0.3
213.16405	0.1
215.07037	4.7
215.09129	0.2
215.17924	0.2
216.07401	0.3
219.17395	0.2
221.08095	100.0
222.08452	0.8
233.08119	0.1
241.08643	0.2
259.09668	9.0
260.10016	1.3
263.08722	0.1
277.10733	7.2
289.25049	0.1
307.26355	0.2
367.45102	0.1
383.13492	1.0
405.51935	0.1
423.32495	0.5
451.32254	0.2
469.13382	3.1
469.20331	1.4
469.32925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.7
63.63132	0.3
67.05511	0.4
69.03419	1.0
70.19489	0.7
70.19908	1.2
71.04987	0.4
73.02905	1.2
79.05492	0.5
81.03407	0.7
81.07038	0.6
85.02911	1.3
86.18514	0.3
91.05476	1.3
93.07030	0.7
95.04950	1.2
95.08587	0.6
97.02879	0.6
97.06530	0.4
98.97617	0.6
103.05478	0.4
105.07035	1.1
115.03944	0.4
119.08573	0.7
121.10154	0.6
127.03889	0.4
131.08467	0.5
133.10117	0.5
135.11732	0.4
136.07532	0.4
137.05986	0.9
145.10083	0.6
147.04422	1.1
151.07480	0.5
157.10101	0.4
161.05917	0.3
163.03955	0.5
169.06439	0.8
173.06001	0.4
175.03758	1.4
177.05428	0.4
185.04111	0.4
187.07536	0.7
203.07175	0.5
215.06999	1.6
229.06825	0.4
233.08130	0.6
259.09586	1.3
277.10696	1.0
317.08411	7.5
337.08939	1.1
437.10168	0.5
469.13184	100.0
470.13440	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	5.6
69.03419	1.2
69.70184	0.5
69.83064	0.5
70.20826	1.1
70.21234	2.2
83.04963	1.2
84.96022	3.0
85.02904	1.8
91.05472	2.0
95.04958	0.6
95.10684	0.5
97.02906	1.1
98.06066	1.2
98.97585	17.5
98.98198	1.2
110.97591	2.5
111.04439	0.7
112.99146	1.3
116.98622	12.0
119.04940	3.5
127.03905	1.0
128.98607	5.0
131.00171	3.1
133.01730	1.6
134.99672	5.0
140.98596	0.9
143.00195	2.1
144.98087	1.7
145.01671	0.6
146.99692	5.1
147.03236	0.7
147.04405	10.3
148.04793	1.4
149.01212	2.4
151.02737	2.6
152.98630	1.3
158.99658	5.7
159.03249	0.7
161.01222	5.9
161.02515	0.8
162.99168	2.2
163.02747	2.0
169.03580	0.6
170.99670	3.1
173.01396	0.7
173.02899	0.7
175.02757	3.9
177.00723	10.2
179.02316	2.3
187.02754	1.4
189.00702	3.2
189.04265	0.8
191.02269	0.8
193.03851	2.4
195.01733	1.0
199.02840	0.8
201.00755	2.6
203.02199	0.7
205.03790	1.2
207.01857	0.8
213.08919	0.7
217.03835	2.3
219.01773	14.5
219.05322	1.3
229.03874	1.3
235.04884	1.4
237.02838	32.1
242.03433	0.9
244.03523	0.6
247.04846	1.6
249.02750	0.9
255.03917	3.3
260.04422	1.3
277.05917	7.6
295.07019	34.7
318.08542	1.8
349.08185	0.8
361.06393	0.8
409.10193	100.0
410.10605	1.4
427.11285	1.2
469.12323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3085
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05510	0.6
56.05030	0.9
57.03429	0.6
57.07077	3.9
58.06614	1.3
60.08162	16.5
67.05506	1.0
69.07056	1.1
71.04972	0.4
71.07027	0.5
71.07380	5.1
71.08630	2.4
71.30151	0.5
71.30492	0.4
76.92878	0.3
81.07061	1.0
83.08629	0.5
85.10191	1.3
86.09705	48.1
91.05485	0.4
94.94882	0.3
95.08595	2.1
98.98473	2.7
104.10743	99.0
105.11072	0.5
109.10159	0.9
125.00004	25.2
133.10136	0.3
143.01054	0.4
144.42615	0.3
161.13315	0.3
163.01534	1.0
163.03896	0.3
165.99762	0.3
181.02727	0.4
184.07339	100.0
185.07719	0.5
258.11035	0.6
278.32382	0.3
285.24228	3.1
310.60709	0.3
391.22260	0.6
450.29810	9.4
468.30869	38.9
469.31158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81615	5.2
55.05500	15.6
57.07072	10.9
63.13300	4.9
67.05505	30.5
68.38668	6.5
69.29870	27.2
69.30301	28.1
71.04966	6.3
81.07066	8.2
83.04961	8.0
83.08623	64.2
89.06005	11.0
91.05479	6.8
93.42215	5.7
95.08589	12.5
95.93255	5.9
97.02908	25.0
99.02335	5.1
99.04454	10.0
105.07038	6.6
107.08595	79.0
109.10133	20.9
110.10482	5.7
119.08563	17.3
121.10150	7.7
125.06031	6.9
125.09629	90.1
125.44324	5.1
133.08630	7.1
135.11705	13.3
137.09610	7.5
145.10155	6.5
147.08000	13.1
153.12730	12.6
159.11713	9.5
160.02075	5.5
162.13095	5.1
163.11195	22.9
165.09087	19.9
177.12709	12.0
181.12247	71.0
195.13782	7.0
205.12238	36.1
223.13313	100.0
230.94601	4.7
283.17538	9.8
383.25763	5.1
468.37592	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05509	4.8
56.96548	2.2
57.03437	3.0
65.03915	2.1
67.05515	12.8
69.03419	3.9
69.07059	4.8
71.05000	4.5
71.58495	2.7
79.05485	9.6
81.03416	2.1
81.07063	18.6
83.04987	2.5
83.08612	3.5
84.89466	1.8
84.89996	1.7
85.02901	4.5
85.06562	3.9
87.69590	1.6
91.05486	9.9
92.46819	1.8
93.07045	15.3
95.04906	3.4
95.08608	22.4
97.02964	2.0
97.06535	4.4
99.08092	3.3
102.47739	1.8
105.07025	16.1
107.08611	22.5
109.02889	1.9
109.06514	4.2
109.10157	22.4
111.04440	7.0
111.08092	3.6
113.46850	1.6
117.07020	3.3
119.08584	29.6
121.10138	15.4
123.08027	2.1
123.11732	5.0
125.05924	2.2
127.03897	3.0
129.07034	3.7
130.17101	1.7
131.08582	4.6
132.58095	1.8
133.10138	19.3
135.08076	5.7
135.11674	6.6
137.05994	1.8
137.09654	8.7
137.13353	2.1
143.08553	3.3
145.10129	12.8
147.11684	12.0
149.13252	3.1
151.11188	6.5
157.10078	9.4
159.10576	1.8
159.11707	11.4
161.13214	8.6
163.11215	2.3
163.14838	9.7
169.10150	2.5
171.11667	8.5
173.13289	6.1
175.11165	2.3
175.14853	3.1
179.10675	2.9
183.11711	4.1
185.13245	5.2
187.11191	4.1
187.14896	3.3
189.16505	4.5
193.08598	1.9
197.13342	4.8
199.11343	2.5
199.14825	5.5
201.12856	1.9
201.16440	4.8
205.12257	3.4
211.14893	2.8
213.16339	2.8
215.17880	2.3
217.12283	2.1
225.12881	2.0
229.12259	2.5
237.16386	3.2
239.14250	2.1
239.18033	5.9
243.13846	4.0
245.15349	2.6
253.19458	3.9
257.18988	7.6
259.16949	2.3
271.20587	7.5
275.20090	7.7
279.16235	1.7
281.19073	4.7
289.21619	4.0
299.20071	37.3
317.21143	100.0
343.12033	1.8
369.18649	1.8
407.17496	2.4
450.26422	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	468.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.05504	6.4
57.07062	2.1
59.04997	1.6
59.27395	1.3
61.02884	1.5
63.28617	1.4
65.03906	1.9
67.05502	16.1
69.03425	4.9
69.07050	8.1
69.22091	1.3
71.04974	3.6
71.59524	2.2
71.59924	1.3
79.05493	9.8
81.03411	4.8
81.07047	20.2
83.04979	1.7
83.08617	4.6
83.88955	1.5
85.02896	6.2
85.06550	3.9
87.00836	2.1
89.06020	2.0
91.05465	10.5
93.07036	19.3
94.07396	1.7
95.04958	5.1
95.08601	28.2
96.08948	2.1
96.92947	1.3
97.02879	5.8
97.06531	5.2
97.10177	2.9
99.04481	1.6
105.07027	23.1
106.56015	1.4
107.04951	3.2
107.08591	25.3
109.02875	2.9
109.06530	3.7
109.10144	26.0
109.10835	2.6
111.04427	13.1
111.08070	5.0
117.07016	6.0
119.08571	30.9
119.09344	2.1
120.08972	1.3
120.34551	1.5
121.06497	3.4
121.10133	17.3
123.08071	6.1
123.11706	8.1
125.06001	3.8
127.03877	7.8
128.06145	1.5
129.06998	3.8
131.08574	9.1
133.10121	24.3
134.10483	1.8
135.08025	6.2
135.11679	8.1
137.09558	9.2
137.13223	2.1
139.07561	1.7
143.08578	6.4
145.04997	2.1
145.10117	13.3
147.08093	2.7
147.11659	15.3
149.13261	4.7
151.07536	1.9
151.11185	5.7
155.08533	3.0
157.10153	8.8
159.11665	12.3
160.12090	1.5
161.09538	2.9
161.13239	9.6
163.03926	2.4
163.11169	3.1
163.14787	11.7
165.12785	1.5
169.10149	3.9
170.10881	2.0
171.11693	5.8
173.09624	2.4
173.13280	8.0
175.14824	4.4
177.12761	2.0
177.16367	1.9
179.10744	2.0
181.12289	1.8
182.90039	1.4
183.11720	5.9
185.09578	1.8
185.13266	6.1
187.11195	4.0
187.14772	4.7
189.12775	2.2
189.16402	4.9
191.10555	1.7
193.12213	2.3
197.13257	5.5
199.14777	5.1
201.12729	1.6
201.16394	5.6
202.16779	3.1
203.14357	1.8
203.18013	2.5
204.18251	1.6
205.12280	2.2
205.15884	3.4
207.17456	2.6
209.13190	1.5
211.14780	3.5
213.12732	1.7
213.16376	3.7
215.10663	2.7
215.17992	2.7
217.12259	1.8
219.13820	3.3
220.17813	1.8
221.19173	2.1
225.12714	3.4
229.12241	3.9
229.19505	2.2
232.46585	1.8
237.79782	1.7
239.14255	1.8
239.18048	2.4
243.13797	3.8
247.13293	2.2
253.19629	3.9
255.17340	2.8
257.19040	9.7
271.16861	2.0
271.20544	5.0
273.83990	1.6
275.19958	7.4
281.19055	6.3
289.21655	4.6
299.20056	35.2
317.21088	100.0
318.21637	2.2
468.30444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35924	1.1
55.01872	1.8
55.05515	9.1
56.96558	1.7
57.03428	1.2
57.07076	2.0
59.04987	1.1
61.02882	1.4
61.31202	1.2
65.03916	1.6
67.05510	14.3
69.03422	1.9
69.07071	8.9
70.81516	1.1
71.04987	3.5
71.57347	1.5
73.85978	1.0
79.05494	9.5
81.07060	21.8
83.04974	4.0
83.08616	4.7
85.02906	3.7
85.06549	4.9
86.34354	1.2
89.06032	2.8
91.05489	10.9
93.07047	16.5
95.04955	4.5
95.08609	25.1
97.02885	4.4
97.06546	5.9
97.10161	2.9
99.08036	1.1
105.07027	19.2
107.04961	2.1
107.08593	27.2
109.06519	3.7
109.10152	23.1
111.04451	15.4
111.08080	4.2
113.09641	1.4
117.07030	5.6
119.08581	34.9
120.04443	1.9
121.06482	4.1
121.10155	14.8
123.08072	2.8
123.11716	5.9
125.06001	1.5
127.03944	2.5
129.06996	3.8
131.08586	9.0
133.06493	1.6
133.10130	23.9
135.08060	8.0
135.11717	6.7
137.06027	1.6
137.09601	11.8
137.13194	2.7
139.07536	2.4
141.06976	1.5
142.07813	1.3
143.08549	5.5
145.10135	14.9
146.10777	1.2
147.08029	2.7
147.11687	16.1
149.09604	2.0
149.13243	2.6
151.11182	5.8
155.08574	2.7
156.09474	2.0
157.10124	8.8
159.08051	2.7
159.11687	13.1
160.12242	1.3
161.09644	4.6
161.13234	7.3
163.11197	3.0
163.14827	12.0
165.09177	1.7
165.12776	1.7
169.10115	5.4
170.10860	1.8
171.11742	6.5
173.09621	3.5
173.13251	8.6
175.11192	2.4
175.14867	2.9
179.10651	2.2
181.10109	1.9
183.11633	6.9
184.12567	1.2
185.09682	1.3
185.13231	4.8
187.11179	5.3
187.14798	3.9
189.16373	3.2
191.10663	2.9
193.12137	1.5
195.11754	2.9
197.13263	4.9
199.11176	3.1
199.14807	4.3
201.12794	3.1
201.16435	5.0
203.10657	1.8
203.17986	2.2
205.12239	5.1
205.15883	3.1
207.13783	1.2
207.17357	1.5
209.13165	1.3
211.14835	2.7
213.12756	2.4
213.16362	4.5
215.14371	2.1
215.17963	3.5
217.12282	3.7
219.13573	1.6
225.12810	1.8
229.12180	5.7
229.19534	2.9
231.13710	1.7
237.16331	1.9
237.36079	1.3
239.14217	2.3
239.17966	4.8
243.13805	3.8
245.15367	2.2
253.19562	5.7
255.17386	2.4
257.15393	2.0
257.18991	9.6
271.20465	5.9
275.20142	9.6
281.18994	6.2
289.21661	4.6
299.20059	43.9
317.21118	100.0
318.21439	2.8
413.47702	1.3
450.26306	2.7
469.16028	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.8
67.05511	12.2
69.03467	5.5
69.07056	11.6
71.04976	6.7
71.60294	9.2
79.05491	11.1
81.07063	15.9
81.15311	5.5
83.04969	8.6
91.05488	12.6
93.07054	23.4
95.04983	7.9
95.08610	32.7
97.06535	8.7
98.76387	5.1
99.04483	5.5
105.07040	40.1
106.33195	5.2
107.08604	20.2
109.10168	30.5
111.04439	13.2
119.08568	28.3
121.10149	14.4
131.08620	6.9
133.06483	16.2
133.10164	26.5
135.11694	8.1
143.08589	8.4
145.10178	15.9
147.04442	7.4
147.11697	14.4
157.10130	10.4
159.11711	12.9
161.05988	24.2
163.14876	8.7
171.11667	10.8
173.13248	11.0
175.14868	10.9
183.11757	7.0
189.00688	6.4
189.16394	7.3
190.21014	4.8
193.08606	7.1
197.13283	6.2
199.14861	5.7
256.15414	12.8
257.18976	5.8
271.20599	6.5
281.18994	6.0
289.21753	6.3
299.20062	41.5
317.21130	100.0
383.04834	6.4
390.21725	5.6
468.29791	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	467.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05520	17.8
57.07071	4.9
67.05222	2.8
67.05514	26.7
69.07072	33.2
71.21878	4.5
72.44528	2.3
79.05490	9.2
81.07060	51.3
83.08606	10.6
91.05489	12.9
93.07047	36.8
95.04971	3.7
95.08610	100.0
97.10164	8.2
98.58910	2.1
105.07040	36.7
107.07872	4.6
107.08595	72.5
109.10161	80.7
111.11698	10.4
119.08583	70.4
121.10152	57.5
123.11709	29.5
131.08588	5.4
133.09227	4.2
133.10135	43.7
135.11699	41.6
137.13274	14.7
143.08577	2.2
145.10129	14.3
146.72467	2.2
147.11696	43.2
149.13246	20.0
156.66414	2.4
157.10156	3.1
159.11734	16.0
161.13275	30.1
163.14830	16.2
173.13298	8.3
175.14824	17.9
177.16402	19.1
187.14749	11.7
189.16389	63.5
191.17958	64.5
199.14851	3.0
201.16411	16.9
203.17967	37.5
205.19533	16.4
213.16515	3.7
215.17989	22.2
217.19495	36.7
219.21019	3.1
227.17860	4.6
229.19533	6.5
231.21080	9.6
243.21101	12.7
245.22675	24.6
249.18542	2.9
257.22653	6.3
259.24240	2.8
269.22714	4.9
271.24222	9.0
283.24255	4.0
285.25693	5.1
297.25775	5.8
311.27206	2.4
365.32092	3.9
407.36765	69.3
467.39023	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	468.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61021	0.4
67.05499	0.9
69.03433	1.5
70.06587	0.9
70.40788	0.3
70.92188	0.8
70.92525	0.8
71.04992	71.1
72.05341	0.5
72.08162	0.5
73.02835	0.4
79.05522	0.4
81.07088	0.5
83.04990	1.7
84.04533	0.4
84.08161	0.4
85.02914	1.4
91.05474	1.2
95.04966	0.7
97.02916	0.5
107.08604	0.7
111.04457	1.4
111.83967	0.4
127.03923	0.8
127.74573	0.4
134.12900	0.4
147.04422	1.5
148.04855	0.5
167.10606	0.5
190.69180	0.5
192.04718	0.6
196.00644	8.5
207.85513	0.4
208.91870	0.4
220.00920	0.5
220.04379	1.1
224.00110	21.8
248.03879	2.2
261.10159	1.4
266.04913	0.8
276.03345	1.6
294.04297	46.2
295.04642	0.8
304.50061	0.4
318.47168	0.4
333.27310	0.4
398.05511	0.5
405.14380	1.1
422.09079	10.6
450.08405	1.6
468.09573	100.0
469.09799	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	467.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.05499	0.5
56.15055	0.3
56.96568	17.8
67.05489	0.8
67.90201	0.3
69.03413	0.7
69.07060	0.8
71.61611	0.5
71.95246	1.5
72.96025	1.0
74.97576	0.3
79.05478	0.9
81.03360	0.4
81.07065	1.9
83.04989	0.5
83.08614	0.7
84.95996	0.4
85.02881	0.6
91.05453	1.1
93.07052	1.5
95.04943	0.5
95.08624	1.9
97.02887	0.5
97.96866	0.6
105.07035	3.0
107.08594	2.3
109.02869	0.4
109.06434	0.5
109.10153	1.8
110.97569	0.6
116.20567	0.3
117.06988	0.4
117.78344	0.3
119.04909	0.7
119.08581	4.0
121.10171	1.9
123.01180	0.6
125.05936	0.3
127.03871	0.5
128.98534	0.5
131.08580	1.9
133.10138	2.2
135.08017	0.3
137.02661	0.5
137.05984	1.8
143.08618	0.6
145.10155	2.4
146.99641	0.7
147.04437	2.9
147.11632	1.2
149.13200	0.6
151.04004	0.5
155.03787	1.0
157.10110	1.4
159.08174	0.3
159.11682	1.9
161.09578	0.4
161.13254	0.9
163.14822	0.6
169.05408	0.6
171.11682	0.8
173.04742	0.4
173.09673	0.3
173.13258	4.6
175.14836	1.4
177.16408	0.9
179.07336	0.5
185.13214	0.4
187.14827	1.7
189.16360	1.2
195.11664	0.4
197.08458	1.0
199.14816	1.8
201.16376	1.9
203.17986	2.1
213.16457	0.4
219.13753	0.7
221.15436	0.5
223.09941	3.0
225.11401	0.5
227.17926	0.4
229.07542	0.4
231.13809	0.5
235.10052	2.6
241.11111	23.3
245.15361	0.4
245.18478	0.4
247.16855	0.4
253.11113	47.7
254.11397	0.7
259.12192	41.6
260.12503	0.4
264.12729	2.6
271.12173	100.0
272.12485	0.9
276.12717	3.1
282.13785	3.4
289.13193	6.1
294.13763	20.5
295.14197	0.4
312.14832	1.1
335.16431	0.6
403.29916	0.3
421.31030	3.7
437.17334	1.5
437.67365	1.2
457.68616	0.7
467.26733	21.2
473.61276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.6
55.01874	11.9
55.05499	4.2
55.81369	1.4
55.93518	1.5
57.03439	6.8
57.07071	4.2
61.02916	5.6
65.03928	1.8
67.05499	7.6
68.99767	4.7
69.03427	47.5
69.07051	6.4
71.04975	7.6
71.59364	1.7
71.59747	1.7
72.93787	2.6
73.02910	10.0
73.74937	1.4
79.05482	6.1
81.03414	52.3
81.07054	24.2
82.07382	3.0
83.04959	2.8
83.08599	3.4
85.02899	100.0
87.00824	32.7
87.04473	1.7
90.94797	2.5
91.03932	2.6
91.05476	20.8
93.07041	13.1
95.04974	6.8
95.08608	15.0
97.02883	36.3
97.06485	3.5
99.04452	22.4
103.03928	2.5
105.01857	24.2
105.07020	15.7
107.04944	1.9
107.08595	13.4
109.02876	49.6
109.06500	3.6
109.10146	12.9
110.03181	1.8
111.04471	1.5
111.08073	1.7
115.03978	1.8
117.01839	6.6
117.07015	6.9
119.04942	22.9
119.08567	12.8
121.06464	3.2
121.10162	11.3
123.04496	1.9
123.11700	3.6
125.09610	3.3
127.03912	89.1
128.06204	1.5
129.01811	4.4
129.07021	3.2
131.08585	12.1
132.95816	6.7
133.10144	10.9
135.08046	2.6
135.11685	14.1
137.05983	4.2
137.09590	3.5
141.01799	1.5
142.07759	4.0
143.08488	2.3
144.95819	2.0
145.04951	36.2
145.09032	2.5
145.10114	33.7
147.02925	4.0
147.04402	83.4
147.11662	8.8
148.04724	3.4
149.05913	2.0
149.09572	1.8
149.13222	2.7
150.96909	4.5
157.10130	12.1
158.10483	6.4
158.97417	5.1
159.02892	36.4
159.11694	22.1
161.13283	6.9
163.03909	3.3
163.11195	8.3
163.64714	1.7
168.95799	2.3
171.11682	3.4
173.13260	5.7
175.07497	1.8
175.14816	2.2
176.98416	3.1
177.04001	2.3
179.07054	1.6
183.11745	2.8
185.13272	1.7
186.96854	4.4
187.14856	1.8
189.09126	1.7
189.16246	3.2
191.17966	5.1
195.11722	2.1
198.96863	3.0
199.14735	3.1
201.16373	58.6
201.18260	3.0
202.16718	1.7
203.17938	17.9
213.03949	5.0
216.97902	6.8
217.15758	1.9
219.17438	42.0
231.04985	19.5
234.98920	12.6
235.97562	2.1
237.02603	2.0
238.99910	2.6
240.00674	3.8
243.17433	2.2
252.99908	2.0
255.17480	1.9
259.04886	1.6
279.03317	1.7
284.81635	1.5
285.18460	1.5
302.98117	1.8
303.05328	2.5
303.08456	9.2
309.18387	2.1
341.15347	1.6
366.03922	4.0
381.06287	15.0
431.20459	2.6
449.21561	3.5
467.13248	2.2
467.22736	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	467.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.2
53.14104	1.4
53.46928	1.4
54.48439	1.2
55.01868	7.4
55.05514	4.2
57.03444	2.6
61.02929	3.6
67.05505	21.0
68.99802	3.7
69.03435	26.8
69.07072	5.3
69.53220	11.8
71.04989	3.8
73.02936	8.1
79.05490	10.6
81.03421	33.4
81.07061	66.6
83.08601	1.8
85.02904	47.5
86.09698	2.5
87.00825	20.1
90.49505	1.3
91.03979	2.9
91.05478	11.7
93.07047	20.7
95.05032	1.9
95.08607	55.5
97.02898	19.6
99.04455	10.8
105.01868	14.3
105.07034	30.6
107.08592	23.2
107.89546	1.4
109.02888	26.0
109.06551	1.4
109.10155	26.5
115.03971	2.3
117.01849	5.0
117.07011	3.8
118.14777	1.4
119.04918	2.9
119.08579	32.0
121.10150	33.8
123.11715	37.0
127.03925	39.6
129.01860	3.3
129.07121	2.3
129.62253	1.6
131.08566	10.6
133.10138	12.2
135.04425	3.0
135.11699	2.8
139.11162	2.5
142.07729	1.8
143.08591	4.7
145.02916	2.5
145.04964	13.9
145.10121	23.7
147.02936	1.9
147.04419	8.1
147.11700	18.0
155.08510	1.6
157.10110	7.4
159.02911	13.7
159.11725	18.2
160.12479	4.3
161.13268	68.4
163.03915	12.9
169.10172	2.3
171.11691	3.4
173.13348	5.6
175.14862	2.1
183.11795	1.4
186.14049	4.8
187.14769	3.4
188.15361	1.6
199.14845	4.0
201.16391	100.0
202.16762	4.8
203.17964	96.5
204.18233	2.4
211.14893	2.8
213.04123	1.9
213.16423	1.9
217.15915	3.5
219.17403	10.7
223.14989	2.0
225.16319	1.7
229.16055	1.8
231.04918	6.8
287.13995	1.7
303.05011	3.8
303.08411	1.5
304.05286	3.6
305.05511	10.4
449.21622	2.7
449.77261	1.7
455.51028	1.6
467.13309	2.7
467.23267	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.21
Annotation	CARAPIN-8 (9)-ENE
Peak:m/z	Relative Intensity
53.03957	0.3
56.96561	1.0
57.03428	0.5
60.04507	0.3
61.21807	0.3
67.05493	0.5
69.03443	0.8
70.06598	3.6
71.05001	1.4
71.29128	0.8
84.96033	0.6
85.02915	1.4
87.04471	0.4
91.05493	2.2
93.07030	0.8
95.04992	0.7
97.02899	0.9
98.97586	2.5
99.04430	0.5
107.08572	0.7
110.97593	0.4
111.04456	0.4
116.98609	2.3
119.04951	5.2
128.98634	1.0
133.05016	0.4
134.99677	1.1
137.66071	0.3
140.29849	0.3
143.08177	0.4
145.02948	0.4
146.99721	1.0
147.04413	21.4
152.98666	0.4
158.99721	0.7
161.01251	0.6
170.99747	0.4
177.00760	0.9
177.05502	0.6
189.00780	0.8
219.01883	1.3
237.02837	3.2
279.14444	0.5
293.09064	4.8
294.04492	1.1
297.15341	0.4
303.08612	2.8
305.12280	0.7
305.15729	10.9
311.10147	1.7
323.13422	0.6
327.41864	0.4
347.03674	0.4
347.13547	0.8
365.14594	0.7
407.12228	8.7
407.17203	0.7
425.13461	0.7
448.15134	0.5
467.21063	100.0
468.09836	1.3
468.21375	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01862	0.3
55.05505	0.5
57.03445	0.3
58.24007	0.2
58.48851	0.2
58.91851	0.2
65.03928	1.1
67.05497	0.8
67.74192	0.2
69.03443	1.3
69.07099	0.2
71.48786	0.4
73.02912	1.1
79.05476	0.3
81.03398	0.7
81.07053	1.9
82.07391	0.4
83.04959	0.5
85.02901	1.8
87.00822	0.4
91.05475	11.0
93.03393	0.3
93.07031	0.8
95.04977	1.6
95.08586	0.9
97.02887	1.3
97.06528	0.2
98.97572	0.2
99.04454	0.4
105.07024	1.3
107.08573	0.8
109.02863	0.8
109.10152	0.7
111.04424	0.5
117.01842	0.2
117.07007	0.3
119.04932	24.7
119.08572	1.5
120.05262	0.3
121.06477	0.3
121.10126	0.7
125.09667	0.4
127.03915	1.3
131.08527	0.8
133.04959	0.4
133.10110	0.8
135.08043	0.3
137.05963	0.2
137.13231	1.3
138.13588	0.7
143.08560	0.3
145.04942	0.8
145.10106	2.0
147.04401	100.0
148.04785	1.5
150.35010	0.2
157.10124	0.6
159.02855	0.4
159.11716	1.4
161.13235	0.3
165.05519	0.6
171.11691	0.3
173.13248	0.5
199.14865	0.4
201.16382	4.0
203.17903	1.3
207.10104	0.2
216.07564	0.5
217.08101	0.3
219.17410	0.5
229.12177	0.3
231.04971	0.2
256.20221	0.2
303.08609	12.6
304.09003	0.3
338.87546	0.2
423.15216	1.6
467.13837	9.2
467.18890	0.7
468.13818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01873	1.8
55.05510	1.6
57.03431	1.7
57.07073	1.6
57.70797	0.6
61.02921	0.9
67.05499	3.9
69.03440	6.2
69.07072	4.6
70.87418	2.0
71.04983	1.0
73.02928	1.0
79.05491	2.4
81.03426	5.1
81.07063	42.3
83.04940	0.8
83.08615	0.7
85.02912	9.9
87.00835	4.6
91.05489	4.9
91.44969	0.6
93.07043	2.8
94.89607	0.6
95.04964	1.7
95.08616	23.4
97.02895	4.8
97.06528	1.9
98.98476	2.4
99.04456	1.8
105.01893	3.4
105.07029	4.3
107.04983	0.9
107.08611	1.8
109.02869	3.9
109.06503	0.8
109.10149	3.1
111.08060	0.9
115.05499	0.9
117.07034	1.1
119.04904	0.7
119.08575	2.9
121.10151	1.7
123.11701	0.6
127.03925	6.3
129.07027	1.0
131.04929	1.7
131.08574	6.5
133.06508	1.9
133.10141	2.7
133.37486	0.7
135.11737	1.9
137.13266	23.4
141.07011	2.3
143.08534	1.5
144.05695	4.7
145.04987	2.9
145.06512	0.8
145.10132	5.2
147.03008	0.6
147.04398	3.6
147.08034	0.7
147.11697	0.9
149.05972	2.5
153.07027	1.4
155.08556	2.8
157.06483	4.1
157.10110	1.6
159.02957	2.3
159.08086	13.0
159.11717	3.8
161.06049	0.8
161.13280	6.2
163.04010	1.0
165.07034	3.2
168.05721	2.8
169.07661	1.0
179.14349	4.6
183.08070	18.1
197.15364	8.2
201.09132	4.4
201.16420	5.3
203.17915	2.6
215.16422	6.1
219.10181	100.0
220.10524	1.9
231.05220	0.9
235.10927	1.8
303.08524	0.7
304.56558	0.7
467.31793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01858	0.2
55.05510	0.7
56.96546	0.3
57.03424	0.3
57.06607	0.2
61.02916	0.2
65.03922	1.3
67.05503	1.0
68.99812	0.3
69.03425	1.0
69.07064	0.4
69.72601	0.7
69.73010	0.4
70.06587	0.6
71.04994	0.4
73.02900	0.3
75.37233	0.2
79.05487	0.5
80.22786	0.2
81.03415	1.2
81.07061	1.3
83.04979	0.7
83.08613	0.4
84.04498	0.2
85.02893	1.8
85.06534	0.2
87.00826	0.6
89.03903	0.2
91.05479	10.4
93.07057	1.0
95.04964	2.1
95.08598	1.1
97.02901	0.8
97.06507	0.2
99.04479	0.3
100.11250	0.6
105.01849	0.5
105.07027	1.3
107.08566	1.1
109.02894	1.0
109.06511	0.2
109.10135	0.7
110.07210	0.2
111.04418	0.4
111.66140	0.2
116.07108	0.4
117.07029	0.3
119.04939	24.2
119.08537	1.0
121.10147	0.9
125.09557	0.2
127.03915	1.6
129.01762	0.3
131.08578	1.0
133.10110	0.7
135.04378	0.2
135.08090	0.2
135.11742	0.3
137.06004	0.2
138.22131	0.2
142.12268	0.3
143.08580	0.2
145.02808	0.4
145.04929	0.4
145.10127	1.7
147.04402	100.0
147.11713	0.5
148.04764	0.8
159.02867	0.4
159.11693	1.3
159.14917	0.2
161.13251	0.4
163.03914	0.8
165.05502	0.9
171.11711	0.2
173.13243	0.5
177.05457	0.3
178.05798	0.3
182.15388	0.4
199.14795	0.2
201.16347	2.1
203.17953	0.5
205.23453	0.2
210.14906	0.3
219.17450	0.8
231.05170	0.3
237.02805	0.3
303.08624	12.3
305.05481	0.3
452.87375	0.2
459.26657	0.2
467.13348	3.8
467.36087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
65.03938	1.1
67.05514	0.4
69.03410	0.2
83.04972	0.7
91.05480	10.1
95.04958	1.6
106.24172	0.2
111.04421	0.4
119.04942	25.5
147.04407	100.0
148.04744	0.9
160.02338	0.2
165.05484	0.7
201.16353	0.3
290.52002	0.2
303.08630	11.9
307.74393	0.2
338.14706	0.2
415.82559	0.2
462.22900	0.3
467.13403	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	466.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18288	0.4
55.05498	0.8
56.05029	0.4
57.07074	5.2
58.06582	1.3
65.03938	1.4
65.87604	0.3
67.05491	0.7
69.07060	0.8
70.06588	14.1
71.08635	2.2
72.08135	0.8
74.06070	0.4
79.05498	0.7
81.07038	1.2
83.04967	1.0
83.08611	0.4
85.10209	0.8
86.09695	0.4
88.07629	15.8
91.05477	0.8
93.07017	0.9
95.04954	0.4
95.08585	1.6
97.02928	0.4
100.76594	0.3
102.09171	12.5
105.07018	1.5
107.08582	1.2
109.10159	1.1
111.04449	0.7
111.08083	0.4
119.08582	2.0
120.81512	0.4
121.02879	0.7
121.10127	1.0
123.08041	0.5
129.06976	0.4
131.08546	0.9
133.10130	1.1
135.08058	1.5
135.11681	0.4
136.60780	0.4
138.36137	0.3
139.03894	1.4
143.08559	0.5
145.10106	1.1
146.11725	0.4
147.11636	0.7
149.02339	47.1
150.02684	0.4
156.09299	0.4
157.10118	0.9
159.11679	0.6
171.08028	0.4
175.14845	0.4
183.11670	0.6
184.07320	1.3
185.13226	0.5
193.04953	48.6
194.05315	0.6
195.11723	0.6
197.13287	0.5
209.13208	0.5
212.23796	0.8
237.07561	59.2
238.08015	0.6
251.17987	0.4
255.17401	0.6
256.26343	42.0
257.26736	1.1
269.19104	1.0
273.18423	0.4
279.17596	0.4
287.19971	0.5
297.18478	2.3
300.28931	1.9
304.05524	0.6
315.19501	1.9
315.37549	0.4
317.21222	1.1
333.20441	0.8
391.33884	0.4
395.90915	0.4
409.47375	0.4
466.31625	100.0
467.31940	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79706	0.1
53.03939	0.2
55.05506	0.2
56.96566	0.5
61.09123	0.1
65.03929	1.2
67.05493	0.4
69.03431	0.3
71.04995	0.2
71.60151	0.1
71.60553	0.1
72.08140	0.1
75.03275	0.1
83.04980	0.5
84.96032	0.2
85.02934	0.3
86.09741	0.2
91.05482	9.8
95.04985	1.8
97.02934	0.2
98.97584	1.2
111.04453	0.5
112.99080	0.2
113.03478	0.3
116.98652	0.8
119.04948	23.2
120.05318	0.2
120.80004	0.1
121.02890	0.2
126.46097	0.1
128.98611	0.3
134.89592	0.1
134.99640	0.5
139.03911	0.2
143.00183	0.2
147.04413	100.0
147.78850	0.1
148.04776	0.9
152.98700	0.2
158.99652	0.2
161.01221	0.3
162.99210	0.2
165.05437	0.7
170.99696	0.3
177.00723	0.5
189.00764	0.2
199.25688	0.1
200.78168	0.2
212.09442	0.2
213.00670	0.1
219.01772	0.6
237.02852	1.1
255.03705	0.2
267.09918	0.1
269.12729	0.2
287.13907	0.2
293.09058	2.5
303.08643	12.3
304.08926	0.2
305.14716	0.2
311.10056	0.3
316.10703	0.2
407.12286	4.0
425.13089	0.4
430.66724	0.1
448.14651	0.2
467.13425	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	466.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	1.4
56.99805	0.8
57.07080	6.4
58.06603	2.1
65.03941	1.6
67.05504	2.6
69.07073	1.2
69.24745	0.9
70.06598	12.1
71.08635	2.3
76.64982	0.8
79.05505	1.9
81.03408	1.1
81.05997	0.8
81.07063	3.0
83.04987	1.0
85.02888	1.1
85.10198	1.2
88.07092	1.2
88.07632	18.6
89.06662	0.8
91.05484	1.7
93.07037	2.7
93.44795	0.7
95.04990	1.6
95.08591	3.1
95.39929	0.8
97.06522	1.0
102.09188	13.4
105.07027	3.3
107.08599	1.8
108.02390	0.7
109.06496	1.0
109.10180	1.8
117.07016	0.9
119.08594	4.1
120.08846	0.7
121.10162	1.0
131.08615	1.2
133.10133	2.5
135.11748	1.5
137.09595	1.3
139.03931	1.2
142.86870	0.9
145.10175	1.1
147.11713	1.6
149.02350	41.7
159.11725	0.9
161.13251	0.9
176.48474	0.8
193.04973	45.2
237.07599	48.4
238.07849	1.2
256.26376	36.7
257.26724	1.0
275.20111	1.4
290.53580	1.1
299.20078	2.0
300.29010	2.3
317.21027	4.8
466.31708	100.0
467.32019	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	466.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84438	2.5
55.05495	8.4
55.36882	2.3
56.96571	2.3
57.07059	3.4
67.05480	11.3
69.03407	2.8
69.07056	7.4
69.52068	20.8
69.84492	2.3
71.04991	2.6
79.05489	10.8
81.07054	22.5
82.07382	3.2
83.04987	6.6
83.08617	3.4
85.02927	2.9
85.06528	4.9
91.05477	12.4
93.07043	20.6
93.68330	2.6
95.08595	29.9
97.02893	3.7
105.07037	20.1
107.08598	24.1
109.10155	25.0
111.04436	11.0
111.08067	5.3
115.03940	7.6
117.07083	3.3
119.08580	38.0
121.10121	16.5
123.08086	4.3
123.11678	7.4
131.08559	7.3
133.10144	24.6
135.08043	7.0
135.11696	8.6
137.09607	8.8
143.08522	5.4
145.02834	3.6
145.10129	16.8
147.04462	4.0
147.11685	18.3
149.09605	4.1
149.13284	5.0
151.11159	4.9
156.09348	3.7
157.10135	9.2
159.08112	4.1
159.11700	17.6
161.13249	11.1
163.14822	8.7
169.10104	6.1
171.11658	8.2
173.09689	2.8
173.13281	9.9
175.14920	4.9
177.05490	4.3
179.10611	2.7
183.11729	7.1
184.07343	3.2
185.13237	5.2
187.11200	6.4
187.14850	10.9
197.13290	5.0
199.11238	2.9
199.14778	4.5
201.12758	3.1
201.16212	3.7
203.14362	3.0
205.15839	9.9
211.14725	3.2
213.12637	3.2
213.16367	3.7
229.12132	3.6
234.53632	3.1
239.14255	3.1
239.17838	5.0
243.13689	2.6
253.19415	3.5
257.18979	4.9
271.20526	3.7
273.18500	3.9
275.19989	8.0
281.18839	5.6
283.20538	3.9
299.20029	37.7
301.21582	8.1
304.05194	4.5
317.21112	100.0
325.49625	3.4
333.20615	5.5
378.33102	2.7
452.45270	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	466.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01875	0.8
55.05269	0.6
55.05512	9.6
57.03421	2.1
57.07067	2.0
64.23191	0.6
67.05175	0.8
67.05505	14.2
67.18417	0.6
69.07069	8.7
71.08638	1.4
71.10384	0.6
71.58706	0.7
79.05502	5.1
81.07059	14.6
83.05000	0.8
83.08617	6.2
84.65022	0.7
91.05486	7.1
93.06472	1.0
93.07047	16.2
95.04960	2.2
95.08609	55.4
97.06511	0.7
97.10178	5.0
98.98460	1.4
99.08032	0.7
105.07033	14.8
107.04932	1.2
107.08598	21.3
109.06537	1.4
109.09448	1.2
109.10155	15.0
111.04449	4.7
111.11700	1.4
113.00054	3.6
117.07007	2.8
119.08585	20.0
121.06491	1.3
121.09315	1.1
121.10148	18.3
121.11016	1.0
123.08057	1.3
123.11713	6.5
125.05959	2.7
128.06183	0.8
129.06998	2.2
131.08566	6.9
133.09109	0.8
133.10130	15.5
135.08043	1.1
135.11693	12.0
137.05952	1.1
137.13235	1.5
139.07564	1.2
142.07770	1.2
143.05568	0.7
143.08548	5.5
144.09348	1.1
145.10121	9.1
147.08043	1.2
147.11681	9.9
147.96097	0.6
149.05933	0.9
149.13246	6.2
151.07518	1.6
153.09134	0.7
155.01062	1.2
155.08536	1.3
156.09329	1.5
157.06558	0.8
157.10121	7.2
158.10876	0.8
159.11671	11.0
160.63515	0.7
161.09631	1.8
161.13257	8.0
163.11150	1.0
163.14806	2.7
165.09122	3.6
169.02654	3.8
169.10130	3.3
170.10840	0.8
171.08105	0.8
171.11690	6.6
173.09605	4.7
173.13255	6.5
175.11153	1.6
175.14813	2.7
177.09114	1.0
177.16333	0.8
179.10698	2.2
181.12311	0.7
183.11703	1.2
185.09612	1.9
185.13225	5.4
187.11200	8.1
187.14766	4.4
189.09007	1.1
189.16362	0.8
191.10689	5.7
191.17926	1.4
193.12274	1.8
195.11719	0.9
197.13286	1.3
199.11162	2.7
199.14761	4.4
201.12762	2.4
201.16411	4.3
203.10669	3.2
203.17961	6.2
205.12259	9.6
207.13866	1.9
209.13266	1.3
213.12779	4.8
213.16357	1.6
217.12245	4.1
219.13824	4.6
227.14302	2.5
231.13809	11.5
233.15445	1.0
239.17918	2.7
241.16023	1.2
241.19542	3.7
245.15384	9.6
245.22725	1.0
255.21063	6.2
257.22617	1.5
259.16974	1.9
265.19571	2.5
273.22205	1.7
283.20563	13.2
301.21622	100.0
302.21994	2.2
313.27338	2.2
337.27368	17.8
466.28012	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27392	1.0
53.03942	1.2
53.34810	1.0
55.01865	1.6
55.05498	5.3
57.07077	8.1
58.06593	2.3
58.13178	1.2
63.00308	1.2
65.03934	1.5
67.05509	8.7
69.07055	5.1
70.06596	12.7
70.59492	3.3
71.04974	1.1
71.08623	3.3
79.05486	5.8
81.03450	1.0
81.07061	11.1
83.04963	2.7
83.08616	4.0
85.06541	1.5
86.09698	1.5
88.07625	15.1
91.05479	8.3
93.07047	10.4
95.04971	4.7
95.08606	14.7
96.37836	1.6
97.02890	1.0
97.06542	2.9
97.10162	1.3
102.09168	12.1
105.07030	11.1
107.04913	2.0
107.08586	15.3
109.06509	2.5
109.10139	10.4
111.04430	6.2
111.08060	3.1
117.07021	3.5
119.08581	23.8
121.06517	3.6
121.10144	10.7
123.08095	2.8
123.11707	2.9
129.07022	2.2
131.08519	5.8
133.06493	2.1
133.10114	14.2
135.08041	14.1
135.08986	1.4
135.11682	6.0
137.09628	6.4
137.13260	1.3
139.03876	1.8
139.07487	1.9
142.07756	2.2
143.08585	6.7
145.10144	8.1
146.10628	1.0
147.04388	1.4
147.08055	3.2
147.11691	8.4
149.02344	49.0
149.09605	2.7
151.07544	2.2
151.11209	2.8
155.08560	2.9
156.09384	2.3
157.10155	8.1
159.08070	1.8
159.11696	11.7
161.09648	4.5
161.13257	4.6
163.11153	2.0
163.14816	2.7
165.09116	1.8
167.08594	2.3
169.10138	5.6
171.08052	1.4
171.11665	6.9
173.09641	3.6
173.13277	5.6
175.11234	5.4
175.14816	2.1
177.09111	2.8
181.10146	2.4
183.08005	1.4
183.11703	5.4
184.07358	3.9
185.09628	4.3
185.13264	5.8
187.07526	1.8
187.11230	3.6
187.14828	4.2
189.12686	1.6
191.10628	2.0
193.04961	53.1
193.06720	2.6
195.11729	3.2
197.13301	5.9
199.11224	3.3
199.14786	3.9
199.37624	1.2
201.09186	1.6
201.12755	2.3
201.16328	2.1
203.10686	2.1
203.14427	1.5
205.12297	1.5
205.15855	2.4
205.37764	1.2
209.13324	3.1
211.11276	1.2
211.14873	4.0
213.12801	1.6
213.16446	2.8
215.10530	1.9
215.14275	1.6
217.12346	1.4
223.14886	1.6
225.12761	3.5
227.10631	1.6
227.14400	1.8
227.17917	4.0
229.12328	2.4
231.84729	1.2
237.07574	47.9
237.12764	1.5
237.16380	1.5
239.14308	3.3
239.17845	2.8
241.12352	1.7
241.19530	2.1
243.13789	2.2
243.20958	2.1
245.15388	1.7
251.17924	3.7
253.19559	3.4
255.13824	2.6
255.17467	5.4
256.26346	40.6
257.15741	1.2
257.18970	1.5
269.16226	1.3
269.18961	8.9
271.20615	2.8
273.18484	2.7
275.20145	2.3
279.17508	3.8
281.18884	1.6
287.19980	8.0
290.70300	1.3
297.18472	24.0
299.19986	16.1
300.28909	3.2
304.05426	2.8
311.17319	1.3
315.19547	14.1
317.21103	31.8
333.20483	6.5
350.92529	1.4
381.74399	1.3
440.95569	1.4
466.31656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.3
55.01874	3.5
55.05497	15.2
57.07071	5.2
59.04979	10.4
59.67485	2.9
67.05486	13.5
69.03409	5.5
69.07075	16.5
69.07377	3.8
71.04978	7.1
71.59679	7.4
79.05482	14.1
81.07064	26.8
83.04974	10.2
83.08602	6.8
85.02899	6.3
85.06555	19.7
86.06847	3.2
91.05478	32.5
93.07026	35.2
95.04971	7.4
95.08603	45.0
97.02896	4.2
97.06509	10.8
97.10171	6.2
105.07032	44.7
107.08586	66.1
109.06520	5.2
109.10151	32.9
111.04427	14.6
111.08102	7.8
117.06998	12.6
119.08572	78.2
120.14711	3.3
121.10120	44.1
123.07981	8.0
123.11691	9.5
125.09692	4.6
127.03903	15.3
129.06987	8.6
131.08534	19.0
133.10129	79.8
135.07988	8.3
135.11678	26.2
137.09610	8.9
141.07024	5.1
142.07759	5.2
143.08562	15.5
144.09325	6.0
145.02888	4.2
145.10103	58.5
147.08041	4.6
147.11664	54.1
149.09541	5.2
149.13245	17.0
151.11154	6.3
155.08517	8.3
156.09354	5.8
157.10106	27.2
159.11682	33.3
161.09654	5.8
161.13251	34.3
163.03850	6.9
163.11208	6.1
163.14815	55.7
167.08626	4.6
169.10139	11.5
170.10918	3.9
171.11674	19.8
173.09587	7.2
173.13261	12.1
175.11182	7.1
175.14757	12.0
177.05446	7.4
177.12900	4.4
177.16371	19.2
181.10071	3.9
182.10938	3.4
183.11667	14.8
185.13237	12.1
187.11159	5.3
187.14809	82.0
189.12709	3.5
189.16385	58.0
191.10681	4.2
192.32990	3.4
195.11662	5.2
197.13240	16.4
199.11165	5.6
199.14798	10.5
201.09171	4.6
201.12700	3.7
201.16351	9.0
203.10692	4.7
203.14270	4.0
203.17889	8.8
205.15874	100.0
207.17416	21.3
209.13271	6.0
211.11122	4.3
211.14821	9.9
213.12720	7.1
213.16417	5.6
215.14342	5.1
223.14729	4.2
225.12791	4.4
225.16341	3.5
227.10770	3.9
227.17885	4.1
231.13835	5.2
237.00615	5.3
239.18002	4.6
243.13882	6.7
251.17931	5.4
253.15897	4.0
253.19440	5.1
255.13968	3.6
255.17416	15.2
257.15411	7.3
269.18970	9.4
271.16754	4.1
273.18445	10.4
275.20062	5.7
279.17242	4.6
281.19012	5.7
287.19971	7.2
291.19574	6.4
297.18472	25.8
299.20074	20.8
303.04819	7.6
304.05164	10.7
315.19513	39.4
317.21060	42.7
333.20642	53.1
380.28018	3.6
466.28064	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	466.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34301	5.7
55.01878	9.5
55.05513	25.5
57.07054	10.8
59.04990	9.5
62.75134	6.1
65.03946	8.1
66.26139	5.8
67.05503	44.9
67.73589	6.0
69.03443	10.6
69.07062	25.8
69.81156	38.6
71.04984	11.1
79.05492	34.2
81.07074	44.2
83.04983	23.2
83.08608	19.7
85.02903	11.7
85.06524	15.2
91.05466	55.0
93.07050	58.2
95.04985	19.3
95.08608	73.9
96.22826	5.8
97.02888	8.5
97.06543	14.9
99.04446	7.8
105.07033	69.4
107.04953	13.0
107.08604	84.7
109.06545	46.5
109.10168	62.6
111.04461	46.9
111.08076	15.9
115.05498	8.0
117.07014	18.8
119.08592	100.0
121.06503	18.8
121.10154	58.9
123.08083	19.5
123.11713	22.3
125.09639	8.6
129.07016	12.1
130.09805	12.8
131.08557	40.9
133.10141	87.6
135.08093	38.2
135.11749	41.3
137.09636	11.7
139.07635	9.1
141.07025	11.0
142.07799	15.6
143.08578	25.3
144.09265	8.1
145.10127	64.4
147.04449	13.8
147.08046	13.8
147.11719	48.3
149.09662	16.4
149.13275	10.2
155.08615	15.4
156.09373	11.3
157.10143	58.0
159.08044	13.1
159.11705	54.3
161.09618	20.0
161.13289	24.4
163.03998	7.4
163.11209	14.8
165.09071	8.5
169.10159	23.2
170.10922	9.9
171.08119	7.0
171.11684	43.4
173.09650	11.2
173.13263	41.9
175.11163	13.6
175.14828	14.4
177.09106	9.4
177.16301	7.5
181.10156	12.9
183.11678	26.4
185.09650	16.4
185.13322	31.1
187.11162	23.6
187.14835	30.6
189.16377	12.8
195.11720	18.6
197.13303	26.8
199.11147	25.9
199.14799	30.3
201.12891	9.8
201.16438	9.6
203.10684	18.1
205.12227	18.2
205.15744	9.9
209.13306	10.6
211.14844	20.5
213.12779	24.0
213.16368	14.8
215.10643	10.5
215.14464	7.5
217.12277	23.7
217.15965	11.6
219.13910	10.1
223.14825	6.6
225.16422	9.3
227.14305	10.3
227.17923	13.3
231.13713	15.2
233.08171	17.0
234.08598	9.1
237.16512	8.9
239.17943	10.2
243.13835	16.4
251.17995	10.7
255.17471	23.2
257.15311	14.5
259.16809	9.0
262.10498	10.6
269.19034	15.3
271.17218	6.9
273.18509	27.4
275.20102	23.5
279.17358	20.0
287.20120	40.5
289.18024	10.1
289.21384	7.8
297.18515	61.5
299.20065	53.2
303.05017	10.5
304.05402	20.8
306.18240	7.9
315.19577	94.9
317.21146	84.8
333.20630	91.0
466.30923	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	466.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
53.67923	2.1
55.01867	5.2
55.05511	16.8
57.03435	2.8
57.07074	5.7
59.04993	7.0
65.03944	2.5
67.05505	26.8
69.07063	12.0
70.20020	9.5
71.04996	2.6
71.97511	2.0
79.05485	9.5
81.07063	25.6
83.04989	16.8
83.08614	7.7
85.06534	9.0
87.04469	5.3
91.05470	14.6
93.07040	28.8
95.04958	5.2
95.08607	43.3
97.02868	3.4
97.06528	7.5
97.10173	3.5
98.20754	2.6
105.07036	33.1
107.04980	2.8
107.08594	40.9
107.48017	2.0
109.06528	6.4
109.10154	34.2
111.04457	19.9
111.08083	7.7
113.09656	1.9
115.98847	1.9
117.07022	6.3
119.08585	63.8
121.06510	5.4
121.10144	24.1
123.08092	10.2
123.11731	9.2
125.05995	4.9
125.09536	2.9
128.06224	2.8
129.06996	4.6
131.08580	12.9
133.06519	2.6
133.10129	38.5
135.08052	8.3
135.11713	10.9
137.09642	10.1
139.07539	4.2
139.11183	2.3
141.06989	5.4
142.07776	4.4
143.08557	12.6
145.10130	25.2
147.07939	4.6
147.11700	27.4
149.09671	2.7
149.13208	4.7
151.07535	5.0
151.11177	7.2
153.09073	2.5
155.08531	4.9
156.09344	4.8
157.10103	18.8
159.08064	3.1
159.11708	27.5
160.12466	2.5
161.09645	6.9
161.13283	10.9
163.07471	3.0
163.11208	3.4
163.14801	5.6
169.10162	9.6
170.10934	2.1
171.11679	16.9
173.09624	5.8
173.13336	10.8
175.14787	5.2
177.09071	2.4
177.12723	3.3
179.10617	3.2
182.10928	2.4
183.11691	9.4
185.09599	3.2
185.13324	11.1
187.11209	6.6
187.14783	10.6
188.15698	2.9
189.09102	3.1
189.12784	3.0
189.16403	4.6
191.10620	4.2
195.11790	3.9
197.13225	13.9
199.11194	4.8
199.14845	8.5
201.12666	3.0
201.16396	6.6
203.10736	4.6
205.12215	4.1
205.16104	3.0
209.13428	2.6
211.11166	2.7
211.14893	7.3
213.12843	3.9
213.16411	7.0
215.10870	2.8
215.14432	3.6
215.17944	6.6
217.12277	5.6
219.13771	3.2
225.12697	4.3
227.17909	3.0
229.12198	4.9
229.15941	2.5
229.19463	4.6
237.16435	3.1
239.14313	4.7
239.17981	6.5
241.15964	4.1
243.13719	4.6
245.15475	3.6
253.19521	8.1
257.15558	4.2
257.19003	11.6
259.17087	4.8
265.74655	2.3
271.20627	7.7
273.18555	2.9
275.20099	24.5
281.18970	11.9
289.21713	4.8
299.20087	56.5
311.25723	16.5
317.21118	100.0
318.21417	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	466.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.1
57.07074	5.1
61.65131	2.8
62.36771	2.6
67.05504	14.5
69.07063	10.0
69.75018	18.4
70.06580	12.0
71.05000	3.1
71.08596	4.7
79.05481	10.6
81.03402	3.2
81.07032	21.1
83.04977	8.1
83.08613	5.5
84.05292	2.9
88.07638	13.4
91.05481	17.9
93.07031	19.2
95.04966	8.6
95.08610	31.0
95.80910	2.9
97.06538	5.5
102.09163	13.5
105.07038	25.7
107.04906	3.0
107.08607	22.5
109.06534	5.9
109.10158	21.7
117.07015	8.5
119.08581	75.1
121.06538	5.5
121.10142	19.4
123.04456	6.5
123.08052	8.8
123.11703	7.9
125.02362	3.4
129.06998	4.6
131.08557	14.7
133.10115	32.2
135.08090	5.4
135.11736	7.8
136.08472	3.4
137.09647	9.3
143.08588	9.8
145.10129	20.7
147.04448	3.7
147.11726	11.5
149.02356	44.6
149.13309	5.7
151.07558	3.0
151.11221	9.1
155.08563	8.4
157.10162	12.3
159.11711	22.8
160.12442	3.1
161.13263	12.8
163.03938	3.1
163.14821	10.4
169.04961	5.2
169.10170	8.6
170.10948	3.2
171.11749	10.5
173.09613	4.3
173.13275	9.3
175.14885	4.8
177.09137	3.7
183.11705	13.3
185.09662	3.3
185.13228	7.2
187.07593	3.5
187.11343	3.4
187.14835	5.9
193.04948	49.5
195.11757	3.5
197.09605	4.7
197.13295	6.3
199.14906	6.8
201.09151	7.3
201.16422	24.7
207.11588	3.5
209.13312	3.3
211.14842	3.3
215.10814	6.4
217.12201	4.8
219.10126	2.9
223.77005	3.0
225.12689	4.4
225.16435	7.6
229.12297	5.2
235.70277	4.0
237.07520	46.9
237.09622	3.6
239.17987	5.5
243.10184	4.6
243.13824	4.9
253.12401	4.6
253.15805	6.1
256.26364	37.1
257.11771	6.1
257.19003	3.4
260.42624	2.7
267.17618	7.1
271.16898	14.0
273.14920	5.4
285.18457	18.5
287.16345	2.8
287.19980	4.4
289.17657	3.5
295.16943	22.7
297.18445	3.9
299.20010	6.7
300.29065	3.3
303.19537	3.9
304.05316	3.3
313.17953	52.1
315.19550	7.5
317.21048	5.6
331.19061	53.3
333.20767	4.5
349.20197	12.3
365.37851	3.3
466.31750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38595	0.6
50.52869	0.6
53.03930	1.0
55.01865	1.5
55.05516	8.6
56.05832	0.9
57.03431	2.1
57.07060	2.7
65.03925	1.2
67.05504	11.5
68.05876	0.7
69.07066	8.7
69.35913	3.5
69.36340	3.6
70.07384	1.3
71.08620	2.5
73.02895	0.7
76.13957	0.8
79.05483	6.1
81.07062	9.8
83.08614	7.1
84.08895	0.9
86.09672	0.9
91.05466	6.3
93.07045	14.4
95.04951	1.4
95.08606	46.9
97.06551	0.9
97.10175	6.0
98.10519	0.8
98.98461	10.8
105.07033	11.9
107.08591	20.0
108.08952	0.8
109.06559	0.8
109.10159	16.4
111.04443	5.7
111.11724	1.4
117.07003	2.2
119.08586	17.8
121.06497	0.8
121.10141	17.8
123.08078	0.9
123.11697	4.9
125.05981	1.9
128.06252	0.9
129.05414	0.8
129.06999	2.0
130.07771	0.7
131.08566	5.0
133.10127	12.2
135.11700	11.4
137.05956	1.6
137.13254	1.8
139.07527	1.0
140.94801	0.7
143.08566	4.4
145.10114	10.0
147.08060	0.9
147.11681	10.6
149.13268	5.1
151.07536	1.8
153.09062	0.9
155.01031	9.1
156.01364	1.1
156.09390	1.7
157.10117	6.0
159.08078	0.8
159.11694	10.5
161.09612	2.6
161.13242	7.2
163.07477	1.5
163.14796	2.0
165.09103	3.2
169.10129	2.7
171.08130	0.9
171.11702	5.6
173.09654	3.5
173.13237	4.6
175.11206	1.0
175.14754	2.4
177.09093	1.5
177.12758	1.0
177.16388	1.1
179.10698	2.7
183.11745	1.4
184.07265	1.6
185.09637	1.4
185.13211	6.4
187.11188	7.7
187.14821	3.2
189.09201	1.4
191.10686	5.7
191.18042	0.9
195.11693	0.8
197.13350	1.3
199.11122	2.9
199.14815	5.0
201.12711	3.1
201.16333	4.7
203.10661	2.4
203.17993	5.1
205.12256	9.4
207.13783	1.0
213.12732	3.8
213.14531	0.8
213.16411	1.0
217.12213	3.7
219.13820	2.9
227.14320	2.1
231.13792	10.4
237.16196	0.8
238.22459	1.8
239.17935	3.1
241.15939	1.2
241.19511	3.3
245.15421	7.9
255.21106	7.2
257.22647	1.2
259.16901	0.9
265.19550	1.6
273.22119	1.2
280.80139	0.8
283.20529	13.0
301.21613	100.0
302.21997	2.4
311.25751	3.0
312.26163	17.3
313.27237	2.8
337.27277	2.9
448.25391	4.8
466.27753	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	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31964	0.7
53.03942	1.3
55.01866	2.3
55.05511	1.1
57.03443	5.1
57.07071	1.4
59.04996	1.3
61.02924	3.0
67.05501	4.5
67.47373	1.0
69.03431	12.7
69.07067	2.7
69.70135	0.8
69.85405	5.1
71.01344	0.9
71.59995	0.8
73.02921	14.3
79.05497	7.2
81.03414	1.6
81.07057	100.0
85.02903	22.1
87.04465	7.8
91.05473	2.5
93.07047	2.1
95.08606	16.3
97.02892	15.5
99.04461	1.6
103.03925	1.7
105.07024	2.2
107.08591	1.6
109.02882	2.6
109.10150	1.1
111.04497	1.1
111.11732	3.1
115.03941	16.5
117.07013	1.2
119.08586	1.5
121.10182	1.0
127.03913	8.8
131.08536	1.0
133.04968	22.0
135.11697	1.8
137.13249	26.7
145.04956	8.0
147.04408	3.2
147.11694	1.2
150.07610	4.0
153.12791	1.3
155.14322	2.5
159.11719	1.1
161.13222	1.1
163.06026	3.3
173.13182	0.8
191.14314	0.9
223.06091	2.2
241.07092	2.3
243.54025	0.9
251.16466	1.4
259.08121	2.7
277.09204	1.8
283.28275	1.0
292.44958	0.8
295.10101	1.1
304.05380	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01873	2.9
55.05497	1.2
57.03437	5.8
57.07096	0.8
59.05006	0.8
61.02929	5.1
65.03928	1.5
67.05502	3.6
67.65327	0.5
68.54427	0.5
69.03431	15.2
69.07070	1.5
70.06562	0.6
71.01343	1.3
71.04990	1.3
71.11488	1.8
71.18237	0.7
72.71918	0.5
73.02918	31.8
79.05499	4.6
81.03423	4.1
81.07057	88.2
82.07385	1.4
83.04976	1.1
83.08639	0.7
85.02906	38.2
86.09647	0.6
87.04462	2.5
91.03938	1.1
91.05481	10.6
93.07040	1.8
95.04969	3.1
95.08610	9.3
97.02894	24.8
97.06533	1.7
99.04454	2.3
101.02403	0.8
103.03949	1.3
105.07025	2.7
107.08604	1.9
109.02868	4.2
109.10149	1.9
115.03930	12.7
116.98643	0.7
117.06990	0.8
119.04945	22.3
119.08583	2.1
121.06472	0.7
121.10194	1.0
127.03916	14.4
131.08556	1.4
133.04973	13.0
133.10136	2.0
137.06065	0.6
137.13257	74.3
138.13582	0.8
145.02853	0.7
145.04967	18.2
145.10129	2.6
147.04410	93.2
150.07655	1.5
151.55098	0.6
157.10123	1.0
159.11687	1.4
163.03905	1.1
163.06023	8.6
165.05574	0.8
167.08621	0.7
167.40079	0.6
181.04982	0.7
193.04921	0.6
199.06114	0.8
201.05296	0.9
201.16452	2.5
202.05586	0.8
203.17964	1.4
216.07596	4.6
217.08170	8.3
218.08699	3.9
219.17422	1.0
223.06010	4.1
237.02983	0.8
241.07065	3.5
247.08191	0.9
258.11069	0.7
259.08032	11.9
262.38455	0.7
271.04306	1.3
272.04660	1.0
277.09100	1.5
295.10233	6.8
303.08658	10.7
310.55295	0.7
317.19577	4.0
380.14050	3.0
395.57767	0.8
421.14594	2.1
422.15024	26.2
423.15414	2.2
466.14044	100.0
467.13730	11.8
467.19113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.1
57.03438	21.6
59.04993	5.1
60.04462	2.1
61.02918	3.0
61.15318	2.3
61.82053	2.3
67.05492	6.8
69.03432	83.6
69.07067	11.9
69.45757	20.5
75.04488	3.4
79.05485	3.8
81.03427	5.5
81.07055	56.3
83.08612	3.9
83.21806	2.2
85.02908	60.3
87.04470	54.8
91.05487	5.5
93.07029	8.9
95.08610	21.5
97.02895	58.1
99.04436	4.2
105.07027	8.9
107.08582	8.4
109.10136	4.5
111.11736	11.0
115.03931	82.5
119.08553	7.7
119.37167	2.2
121.10158	4.5
123.11687	4.8
127.03907	6.8
131.08575	4.7
131.66644	2.1
133.04973	100.0
133.05974	4.8
133.10118	3.4
135.11655	6.4
137.13275	21.3
143.08638	3.5
145.04976	10.4
145.10048	3.7
147.06464	3.2
147.11684	3.6
149.13274	4.0
150.07608	18.1
153.12793	6.3
155.14311	7.4
159.11618	3.2
161.13293	6.1
163.06021	2.6
167.14424	2.6
177.12674	4.8
187.14894	2.6
203.14224	3.0
215.14368	3.2
221.15349	4.1
230.61082	2.3
233.15373	7.5
251.16525	4.5
259.08163	6.6
269.17532	7.2
281.17331	3.6
469.51254	2.6
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
54.35815	1.6
55.05505	3.8
57.03438	21.8
57.07066	6.6
59.04996	6.4
60.04523	3.0
61.02925	4.5
61.41935	1.5
63.17462	1.6
67.05509	5.5
69.03429	80.0
69.07066	13.6
70.85349	5.3
71.08608	1.6
73.02914	10.2
75.04483	4.0
79.05499	8.9
81.03403	5.6
81.07055	62.2
83.04986	8.1
83.08612	7.5
84.41030	1.7
85.02903	68.3
85.06547	1.9
86.99991	2.0
87.04468	58.0
91.03947	4.2
91.05482	9.4
93.07044	16.5
95.04959	4.4
95.08611	28.0
97.02885	69.7
97.03518	3.5
98.20810	2.2
99.04425	2.4
99.08086	3.1
103.03949	2.9
105.07045	9.0
107.08604	15.1
109.02872	4.6
109.06534	3.1
109.10155	6.6
111.08086	2.4
111.11731	4.3
115.03924	89.2
117.07053	2.3
119.04903	9.4
119.08565	8.4
121.06463	2.2
121.10128	8.8
123.04395	2.0
123.08085	2.0
123.11681	11.3
125.05991	2.0
127.03931	11.8
131.08533	4.4
133.04958	100.0
133.10115	3.9
135.08153	1.9
135.11687	9.4
137.13251	47.8
143.08490	2.6
145.04944	13.3
145.10126	6.2
147.04404	28.8
147.06499	4.1
147.11656	9.1
149.13280	9.9
150.07614	20.0
155.14323	12.2
157.10161	2.3
159.11690	4.7
161.13268	5.1
163.06017	6.1
165.12746	5.6
167.14343	2.5
173.08075	8.9
173.09492	2.2
173.13242	4.9
177.12767	2.1
179.14305	6.1
187.14787	2.9
191.14276	2.6
193.12418	1.9
195.13882	2.2
197.13318	2.1
201.16359	6.4
203.09213	2.0
203.14290	5.0
209.15543	2.4
215.14323	2.7
221.15318	5.9
233.15361	5.7
239.16422	3.7
241.07002	3.5
245.15485	2.1
251.16415	6.0
257.17484	2.8
259.08112	4.7
263.16443	2.1
269.17575	3.9
277.09253	2.7
281.17651	2.5
287.18143	2.4
295.10486	2.7
303.08569	3.7
304.05191	2.3
317.19434	2.4
424.29160	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.7
55.01868	2.3
55.05506	0.9
57.03418	1.5
57.07069	7.0
61.02909	1.6
67.05493	1.5
68.99756	0.9
69.03426	8.5
71.04964	0.7
73.02902	1.5
79.05491	0.7
81.03415	7.5
81.07038	1.8
83.01337	0.6
84.04478	0.6
84.09778	0.5
85.02901	20.1
85.10177	30.6
87.00825	8.9
91.05445	0.6
93.07060	0.6
95.08607	5.4
97.02364	0.6
97.02887	6.7
99.04456	3.9
105.01851	8.2
105.07047	1.0
107.08562	0.5
108.39332	0.4
109.02864	6.5
109.10129	1.9
113.09636	48.1
114.09985	0.7
119.08580	0.5
123.11740	0.5
126.05441	0.4
127.03909	13.7
129.01839	1.1
135.08015	0.5
145.02885	1.0
145.04951	4.5
147.02917	0.6
153.01738	0.5
157.10031	0.5
159.02875	3.3
165.16451	0.6
177.05397	2.6
183.17430	80.7
184.17790	1.5
184.33278	0.5
187.14784	0.4
201.18483	100.0
202.18817	1.0
213.03975	0.8
231.04968	1.9
304.05280	1.0
317.46201	0.5
350.60629	0.5
404.91595	0.5
447.53009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35336	0.3
53.03949	1.2
55.01866	1.5
55.05496	0.7
57.03433	3.8
57.07064	1.3
61.02925	2.5
64.49044	0.4
65.03951	0.5
67.05508	3.3
69.03425	7.0
69.07060	2.4
71.01372	0.5
71.26712	0.9
73.02913	11.2
79.05488	6.5
81.03420	1.5
81.07054	100.0
82.07386	0.8
85.02901	18.0
87.04475	1.1
91.03952	0.8
93.07062	0.6
95.08606	15.4
97.02888	14.0
97.03516	0.8
97.13705	0.3
99.04457	0.8
103.03934	0.6
104.78852	0.3
109.02872	1.7
109.10162	1.4
110.38209	0.4
115.03919	7.5
123.11711	0.4
127.03904	7.6
127.04802	0.6
133.04962	10.1
133.10083	0.4
137.13251	26.4
138.13603	0.4
145.04961	10.2
150.07660	0.9
154.15901	0.6
163.06010	6.9
180.08801	0.6
193.44768	0.4
199.06038	0.6
215.14445	0.4
217.07011	0.7
223.06004	2.1
241.07104	2.8
259.08127	6.4
263.16541	0.5
277.09311	1.7
295.10254	3.7
301.85339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.15853	0.5
54.66922	0.5
55.01877	8.4
55.05512	19.5
57.03436	10.1
57.07076	8.4
58.99910	0.5
61.32629	0.5
67.05512	7.6
68.93674	0.4
69.03383	0.5
69.07068	26.7
69.54272	0.6
69.92979	2.8
71.08626	4.8
73.02928	5.6
75.61195	0.5
79.05492	5.0
81.07060	9.0
83.04980	1.0
83.08616	20.0
84.04757	0.5
85.06561	0.5
85.10196	2.3
88.02911	0.5
91.05470	0.7
93.07038	5.0
95.08611	7.5
97.06537	3.4
97.10171	14.5
98.98466	52.6
105.06975	0.6
107.08598	3.9
109.10148	3.5
111.08085	1.4
111.11729	3.8
116.99493	2.2
119.08601	0.6
121.10145	5.2
123.11692	1.6
125.00094	0.4
125.09605	0.8
129.05482	3.0
133.64322	0.5
135.11691	3.9
136.99974	3.4
137.13251	1.2
140.01070	1.2
143.34300	0.5
149.13283	0.9
155.01047	49.4
163.14799	0.6
175.14592	0.5
193.02602	0.8
196.03758	0.9
211.03651	1.9
217.36884	0.5
219.21095	2.0
227.20108	2.1
229.04739	3.1
237.22148	9.4
311.25806	100.0
312.26230	1.5
396.56439	0.5
399.42331	0.5
447.25122	19.5
448.25555	0.6
465.25577	1.2
465.35815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01420	1.1
55.01869	8.8
55.05269	1.2
55.05512	21.8
57.03441	7.7
57.07075	8.8
67.05510	9.2
69.06722	1.7
69.07068	23.7
71.08623	5.4
71.61334	2.2
73.02917	8.0
79.05486	3.8
81.07062	12.2
83.05000	1.9
83.08614	23.7
84.67341	1.2
85.10168	2.7
87.62547	1.2
91.05501	1.6
93.07046	7.5
95.08601	8.7
97.06528	2.4
97.10172	12.4
98.98468	54.1
104.13141	1.1
105.07030	1.4
107.08572	4.7
109.10151	4.8
111.08097	1.9
111.11743	3.8
116.99515	2.7
117.88033	1.1
121.10147	5.7
123.11767	2.4
129.05461	3.3
135.11710	5.6
136.99995	3.4
140.01147	1.6
155.01047	48.8
205.52228	1.2
211.03734	1.2
219.21011	2.0
229.04710	4.3
237.22192	10.2
311.25815	100.0
365.24875	7.5
447.25070	21.5
465.36002	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.8
54.44939	2.6
55.01873	6.0
55.05509	6.1
56.05025	2.8
56.96559	4.7
57.03443	7.9
58.06606	3.8
61.02937	7.8
65.03957	3.8
67.05503	13.8
67.19298	2.6
69.03435	31.2
69.07074	13.5
69.63742	3.7
69.64160	2.6
70.06601	18.3
71.04996	8.0
72.08178	5.2
73.02913	8.6
74.06093	3.1
79.05490	12.9
81.03411	25.4
81.07076	19.1
83.04986	11.1
84.08198	3.5
85.02914	38.1
86.09711	5.8
87.00819	9.1
87.04478	4.1
89.03928	8.9
89.07169	4.8
91.05490	28.6
93.07044	18.6
95.04975	11.7
95.08604	18.5
97.02898	27.7
97.06530	3.4
97.74142	3.2
98.11572	2.7
98.97600	8.7
99.04474	9.8
104.47665	2.8
105.01919	4.8
105.07046	41.5
107.04967	5.7
107.08601	25.3
109.02881	17.7
109.10155	11.4
110.06068	4.8
111.04447	12.1
115.03933	6.6
115.05454	5.0
116.98617	7.1
117.03394	12.3
117.07029	12.7
119.04927	7.3
119.08594	27.2
120.08102	5.9
121.10160	12.4
122.06036	4.3
123.04437	3.2
124.07550	3.3
127.03927	35.1
128.06233	7.5
128.09940	3.2
129.05504	4.7
129.06982	13.9
130.07755	5.4
131.08571	30.3
133.04962	3.8
133.10158	13.4
134.99699	5.9
135.04326	3.4
135.11679	3.8
137.05934	5.9
139.03886	5.1
141.06973	7.6
141.99216	2.9
142.07707	19.8
142.08672	9.9
143.08580	31.2
144.09323	8.2
144.13847	3.7
145.02866	25.4
145.04932	8.5
145.10130	81.8
146.03310	3.5
146.05930	2.8
147.04417	6.8
147.11679	5.6
149.05948	4.5
155.08594	9.0
156.09338	8.2
157.04964	3.7
157.10153	53.8
158.10928	3.1
158.99783	3.1
159.02910	11.0
159.07932	2.8
159.11705	44.3
162.05518	46.8
167.07001	3.6
169.10098	8.7
170.10941	3.3
171.11670	12.5
171.13893	6.8
172.08742	4.3
173.13307	10.1
175.11171	3.9
177.00751	4.8
177.05487	48.7
178.05867	9.9
184.12398	6.8
185.13179	3.1
187.14767	3.9
197.13310	4.8
199.14842	75.4
201.16396	100.0
201.18266	6.2
211.14932	3.5
212.08289	4.7
213.08926	5.0
215.14461	4.7
217.15924	8.2
219.01743	4.8
223.43593	3.7
237.02809	3.4
241.15846	3.7
243.08771	31.0
244.09570	17.9
259.16959	3.9
261.12817	3.2
263.14063	6.2
267.01044	4.2
287.14008	3.2
289.11038	3.1
291.03940	4.6
291.07040	4.2
303.04977	9.7
303.13498	41.9
315.13327	6.4
359.58768	3.1
375.15402	3.6
378.15369	18.6
379.16132	10.1
379.21396	9.3
411.15488	5.0
421.22345	4.4
429.16757	4.9
447.17685	8.7
465.17987	51.2
473.63895	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01871	4.3
55.05519	1.7
55.70702	0.8
56.96570	2.0
57.03426	2.7
61.02917	3.6
64.38145	0.8
69.03429	9.1
70.06593	2.6
70.83966	2.5
71.04992	30.2
73.02918	2.3
81.03430	4.2
82.06584	1.0
85.02902	13.8
86.06107	0.8
86.09694	1.4
87.04469	1.9
94.06578	1.4
95.30472	1.0
97.02900	6.8
98.06055	52.8
98.97588	1.8
99.04452	25.5
109.02880	1.6
110.06046	2.2
112.07614	1.9
114.05513	1.2
115.08675	2.7
116.07091	26.2
116.98637	1.6
120.08080	0.9
124.07589	1.0
126.05486	0.9
127.03931	4.1
131.04971	1.1
135.04340	1.0
136.07579	1.0
137.06038	1.1
138.05493	7.0
139.03886	1.5
140.07066	3.8
142.08659	3.6
145.04922	0.9
147.69203	0.8
148.07600	2.4
149.89496	0.8
152.07083	5.8
153.05370	1.1
153.32950	0.9
154.08626	1.3
157.09729	1.7
160.07590	1.2
161.03000	1.1
162.05508	1.4
162.09171	1.1
164.07063	1.1
166.08641	1.2
166.65933	0.8
170.08133	1.6
173.03026	0.9
176.07074	16.7
177.07855	1.2
178.08659	4.1
182.03374	1.1
186.11234	1.7
188.09186	8.6
190.08643	6.3
191.03922	1.3
192.10159	1.4
194.08218	2.0
200.07146	1.6
203.13971	1.5
208.09804	1.5
218.08092	12.8
219.01805	1.3
220.09721	2.3
225.12425	0.9
232.09785	1.3
235.08490	1.3
235.10719	21.5
236.09102	1.6
237.02858	2.0
238.10756	6.2
250.10796	14.8
255.57431	1.2
263.06061	3.0
267.13379	1.5
268.11786	1.0
285.14325	5.3
286.12915	2.5
303.15494	83.9
447.19727	2.2
465.20810	100.0
466.20978	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01871	4.3
55.05519	1.7
55.70702	0.8
56.96570	2.0
57.03426	2.7
61.02917	3.6
64.38145	0.8
69.03429	9.1
70.06593	2.6
70.83966	2.5
71.04992	30.2
73.02918	2.3
81.03430	4.2
82.06584	1.0
85.02902	13.8
86.06107	0.8
86.09694	1.4
87.04469	1.9
94.06578	1.4
95.30472	1.0
97.02900	6.8
98.06055	52.8
98.97588	1.8
99.04452	25.5
109.02880	1.6
110.06046	2.2
112.07614	1.9
114.05513	1.2
115.08675	2.7
116.07091	26.2
116.98637	1.6
120.08080	0.9
124.07589	1.0
126.05486	0.9
127.03931	4.1
131.04971	1.1
135.04340	1.0
136.07579	1.0
137.06038	1.1
138.05493	7.0
139.03886	1.5
140.07066	3.8
142.08659	3.6
145.04922	0.9
147.69203	0.8
148.07600	2.4
149.89496	0.8
152.07083	5.8
153.05370	1.1
153.32950	0.9
154.08626	1.3
157.09729	1.7
160.07590	1.2
161.03000	1.1
162.05508	1.4
162.09171	1.1
164.07063	1.1
166.08641	1.2
166.65933	0.8
170.08133	1.6
173.03026	0.9
176.07074	16.7
177.07855	1.2
178.08659	4.1
182.03374	1.1
186.11234	1.7
188.09186	8.6
190.08643	6.3
191.03922	1.3
192.10159	1.4
194.08218	2.0
200.07146	1.6
203.13971	1.5
208.09804	1.5
218.08092	12.8
219.01805	1.3
220.09721	2.3
225.12425	0.9
232.09785	1.3
235.08490	1.3
235.10719	21.5
236.09102	1.6
237.02858	2.0
238.10756	6.2
250.10796	14.8
255.57431	1.2
263.06061	3.0
267.13379	1.5
268.11786	1.0
285.14325	5.3
286.12915	2.5
303.15494	83.9
447.19727	2.2
465.20810	100.0
466.20978	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
67.05495	1.5
69.07059	1.0
69.46457	3.0
79.05505	2.0
81.03403	1.3
81.07046	1.4
82.06734	0.3
83.04968	0.6
83.08603	0.4
85.02879	1.1
91.05495	2.6
93.07037	1.7
95.04953	2.3
95.08593	0.7
97.02872	0.5
97.06513	0.5
99.90099	0.4
103.05459	1.2
105.07020	1.1
107.04927	0.6
107.08591	1.3
109.10162	0.8
111.08108	0.4
114.90843	0.4
115.05451	1.9
117.07023	7.4
119.08598	0.9
121.06499	0.6
121.10143	0.8
123.04395	0.5
127.03927	0.7
131.04939	1.7
131.08562	1.0
133.10077	0.6
133.81303	0.4
135.04405	0.5
135.11674	0.8
137.05951	0.4
141.06984	2.2
141.43387	0.4
143.08560	0.4
145.06493	10.3
145.10098	0.6
147.04427	8.5
155.06046	2.4
155.07124	0.4
157.10117	0.5
159.07996	0.4
159.11754	0.5
161.05966	1.5
165.05679	0.5
169.06497	0.6
171.04333	0.4
173.05977	6.0
175.03938	2.0
177.05458	0.5
179.41098	0.4
185.06050	0.8
187.07590	1.0
189.05411	1.9
191.07010	0.9
193.12221	1.0
197.05983	0.8
211.13319	1.2
215.07057	5.2
215.24760	0.4
217.08630	1.7
227.07014	0.7
229.08615	0.5
231.06532	1.0
233.08101	100.0
234.08559	1.8
239.07016	0.7
241.08670	0.6
257.08118	0.5
303.04758	0.4
329.20886	0.4
349.10599	0.9
355.22687	0.4
373.23691	1.0
377.13925	0.7
387.12045	0.9
391.11783	0.8
405.13293	1.2
423.14108	0.9
432.31686	0.4
465.15826	0.9
465.28650	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	465.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97678	0.3
52.05381	0.3
53.03933	0.6
66.41340	0.3
69.03434	2.7
69.69656	1.4
69.70068	0.5
71.01356	0.4
71.04996	0.5
72.08130	0.4
81.03411	1.7
81.07061	1.8
85.02908	1.6
86.09731	0.4
87.36925	0.3
89.03915	1.5
91.05463	0.5
93.07056	0.4
95.08601	0.6
97.02891	5.1
99.04481	0.3
100.79697	0.3
101.02322	0.4
103.81797	0.3
105.07045	0.5
105.31756	0.3
107.08564	0.4
109.02875	1.1
117.03378	5.9
119.08512	0.3
120.08123	0.4
127.03922	100.0
128.04257	0.8
134.03668	0.6
134.45543	0.3
135.04471	0.6
137.13272	0.6
145.02849	19.2
149.06000	2.3
160.32019	0.3
163.03906	0.5
166.39641	0.3
177.05481	40.6
186.05486	0.7
195.06531	2.7
205.13213	0.3
229.62761	0.3
238.71501	0.3
291.06549	0.3
321.09790	1.4
339.10754	11.2
437.65594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
60.54380	0.2
63.02374	0.3
69.03432	3.3
69.61834	0.9
69.62262	0.8
71.04979	0.2
73.02923	0.4
78.04732	0.3
81.03423	3.2
81.53236	0.2
85.02891	1.2
89.03912	4.9
90.04311	0.3
91.05478	0.5
93.07081	0.3
94.98260	0.2
97.02917	0.6
98.06929	0.3
98.20745	0.4
99.04447	0.4
103.05473	0.3
106.04167	0.3
109.02895	1.2
117.03386	16.3
127.03918	30.1
129.06938	0.3
134.03648	0.9
135.04456	1.3
137.05991	0.3
145.02849	43.2
146.03175	0.7
147.04413	0.3
149.05983	5.7
163.03914	0.8
164.04178	0.3
177.05472	100.0
178.05789	1.3
182.60938	0.2
186.05496	1.1
195.06537	1.2
261.07590	0.5
269.51712	0.2
285.15201	0.3
303.05026	6.2
321.09686	6.9
330.16162	0.2
339.10733	4.7
465.17276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
63.02406	0.4
68.58949	0.3
69.03436	3.7
69.61506	2.7
73.02892	0.4
78.04715	0.3
81.03427	3.4
85.02911	1.4
86.64661	0.3
89.03919	6.1
89.04470	0.3
91.05486	0.4
94.11873	0.3
95.08622	0.3
97.02881	0.7
99.04508	0.4
107.66184	0.3
109.02872	1.8
114.19374	0.3
117.03390	18.1
127.03925	33.8
134.03644	1.3
135.04424	1.4
140.13123	0.3
145.02853	45.9
145.10124	0.4
146.03256	0.4
147.04561	0.4
149.06004	6.1
163.03912	1.2
177.05481	100.0
178.05833	1.1
186.05513	1.5
195.06573	1.1
198.99557	0.3
201.37857	0.4
203.34271	0.4
214.24736	0.3
222.59897	0.3
233.08134	0.3
274.68954	0.4
275.98788	0.3
277.37930	0.4
303.05087	4.0
321.09726	7.5
339.10760	5.8
395.63541	0.4
410.45523	0.4
465.17221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.137
Annotation	Keyakinol
Peak:m/z	Relative Intensity
58.96399	0.3
61.02922	0.5
69.03433	0.7
69.93771	1.9
81.03416	0.5
81.07022	0.4
85.02908	1.0
91.05508	0.5
93.07079	0.6
95.04967	0.4
95.59759	0.4
99.04425	0.5
105.07080	0.3
119.08523	0.3
127.00010	0.4
136.11978	0.4
163.04022	0.4
179.56120	0.4
185.04343	0.5
201.05316	1.1
216.07584	7.6
217.08374	8.0
227.05214	1.6
235.09442	0.4
271.04245	2.8
303.04950	4.1
379.13614	3.5
403.13684	0.7
410.17676	0.4
421.14722	28.8
422.15204	0.4
465.13718	100.0
466.14124	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.47171	0.2
53.03935	0.5
55.01866	0.7
55.05512	0.3
55.82956	0.1
57.03429	0.9
59.04996	0.3
59.09993	0.2
61.02925	1.5
65.03928	0.4
66.15322	0.2
67.05501	0.4
68.99790	0.7
69.03080	0.3
69.03431	4.6
69.07079	0.3
70.06582	0.3
71.04972	0.5
71.51723	0.2
71.52070	0.2
72.08143	0.5
73.02907	0.6
79.05494	0.3
81.03068	0.1
81.03429	1.8
81.07034	0.3
85.02906	10.8
86.09686	0.4
87.04472	1.1
91.03942	0.5
91.05466	0.3
93.03394	0.2
93.07033	0.5
95.04968	0.6
95.08594	0.5
97.02894	4.5
97.06531	0.6
99.04445	0.6
103.05474	0.2
105.07009	0.4
107.04964	0.2
107.08572	0.8
109.02888	1.2
109.10139	0.3
111.00809	1.1
111.04498	0.2
115.03933	0.9
116.07137	0.2
117.06987	0.2
120.08096	0.6
121.02873	1.0
121.86988	0.2
123.04418	0.3
123.08066	0.2
127.03918	2.3
128.68147	0.2
131.04926	0.4
133.04938	0.7
133.06505	0.2
135.04385	0.2
135.11655	0.8
137.02347	3.9
137.03392	0.3
145.04964	1.9
145.06105	0.3
147.04407	0.4
148.07591	0.3
149.02336	0.6
151.03958	0.2
153.01830	4.5
153.12752	1.8
155.04900	0.2
157.10191	0.2
161.06010	1.8
161.09627	0.4
163.03908	0.6
165.01842	2.0
166.02467	0.2
167.07028	0.4
171.13777	1.4
173.06006	0.5
177.05429	0.4
179.03409	0.2
183.02863	0.7
183.04326	0.4
187.03934	0.4
189.08990	0.9
191.11885	0.1
195.02887	0.4
199.14799	0.2
201.05487	2.1
207.10165	1.1
211.03902	0.2
219.06555	0.4
229.04982	5.0
247.05922	0.8
257.04465	3.3
258.10666	0.2
274.04727	0.7
285.03940	1.1
285.11517	0.3
303.04993	100.0
304.05295	2.0
345.05966	0.3
465.14008	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01867	0.6
57.03424	0.8
61.02909	1.5
68.99797	0.4
69.03430	2.5
69.63338	1.4
69.63778	1.3
71.05015	0.3
73.02909	0.7
81.03403	1.5
85.02428	0.7
85.02908	8.8
91.03962	0.6
95.04952	0.4
97.02898	3.2
99.04488	0.3
107.43019	0.3
107.47449	0.3
109.02879	1.0
111.00803	0.5
120.99089	0.3
121.02847	1.0
127.03911	1.4
137.02330	2.5
144.58463	0.3
145.05017	1.8
149.02301	0.4
153.01837	3.4
163.03912	0.6
164.71762	0.3
165.01848	1.6
173.05975	0.5
183.02910	0.4
187.03905	0.4
201.05515	1.0
206.95265	0.4
229.04988	4.0
247.06039	0.8
257.02176	0.4
257.04419	2.4
285.03949	1.0
303.04993	100.0
304.05356	3.2
316.27240	0.4
449.71664	0.5
452.28873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03932	0.7
55.01873	0.8
55.05503	0.3
57.03443	1.3
61.02930	1.8
65.03950	0.3
67.05493	0.4
68.99799	0.5
69.03437	3.6
70.31179	0.9
71.04994	0.5
72.92676	0.2
73.02909	0.6
77.75684	0.2
79.05483	0.4
81.03414	2.1
81.07043	0.4
84.08145	0.3
85.02908	10.8
86.03214	0.2
87.04452	0.8
87.12991	0.2
89.03907	0.3
91.03953	0.6
91.05476	0.5
93.07036	0.7
95.04978	0.4
95.08593	0.4
97.02895	3.7
97.06528	0.7
99.04446	0.6
105.07059	0.3
107.08591	0.6
109.02873	1.5
109.10159	0.4
111.00827	1.0
115.03933	0.4
117.03394	0.5
121.02898	1.2
123.04424	0.3
123.11606	0.3
127.03914	4.1
131.08551	0.3
133.04956	0.3
133.10103	0.3
135.04391	0.3
135.11731	1.0
137.02344	3.6
145.02823	1.4
145.04961	1.8
145.06477	0.4
145.10135	0.5
149.02333	0.4
149.05966	0.3
153.01833	4.2
153.12770	0.4
155.04903	0.2
157.10123	0.3
161.05949	0.9
163.03909	0.8
165.01833	2.1
171.13696	0.3
173.06033	0.6
177.05490	3.3
182.15433	0.2
183.02942	1.1
183.04318	0.3
187.03949	0.4
195.02965	0.2
199.14828	0.4
201.05452	2.2
201.16429	0.5
207.10115	0.3
211.04036	0.3
215.03569	0.2
229.04973	5.1
229.15564	0.3
229.65765	0.2
238.16141	1.1
238.66246	1.0
239.16231	0.6
246.14966	0.4
247.05859	1.0
257.04456	2.9
274.04819	0.9
275.05618	0.3
284.56906	0.2
285.03989	1.1
285.16684	0.2
303.05002	100.0
304.05319	2.6
386.82538	0.2
447.29227	0.3
464.82916	0.4
465.17191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72813	0.6
51.13399	0.7
55.05503	0.8
56.05022	2.2
56.18013	0.6
57.07060	2.2
60.07878	1.1
60.08162	17.9
67.05490	1.5
71.07372	17.1
71.58195	1.0
81.07022	1.6
85.10173	1.0
86.09703	86.5
87.10055	0.8
95.08595	0.9
98.10372	0.6
98.98463	11.3
104.10727	2.7
106.21051	0.6
121.10115	0.7
124.99999	80.5
143.01056	1.9
166.02684	1.4
166.78831	0.7
184.07330	29.0
257.11823	0.6
344.31482	0.7
464.38651	100.0
465.38998	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	465.103
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03939	0.5
55.01869	0.5
55.05515	0.2
57.03434	1.5
59.05007	0.2
61.02637	0.2
61.02928	2.3
65.03943	0.2
67.05507	0.3
68.99787	0.6
69.03429	6.8
69.07060	0.2
70.06582	0.4
71.01348	0.3
71.04988	0.6
71.59179	0.1
72.08158	0.3
73.02922	1.1
81.03417	2.1
81.07067	0.2
83.01323	0.2
83.05000	0.2
84.04489	0.2
84.08132	0.2
85.02904	16.9
85.95547	0.1
86.03242	0.1
86.09703	0.8
87.04465	1.2
89.03901	0.1
91.03961	0.8
91.05476	0.2
93.03398	0.6
93.07069	0.2
95.04954	0.4
95.08598	0.2
97.02895	4.8
97.05061	0.1
99.04446	1.2
101.02384	0.3
102.05528	0.2
103.03937	0.7
105.07052	0.3
107.04932	0.2
109.02879	2.4
111.00804	1.1
111.04468	0.3
115.03954	0.3
115.05523	0.1
116.36583	0.1
117.03394	0.2
117.06989	0.2
119.08639	0.1
120.08111	0.7
121.02850	1.2
123.04433	0.3
127.03915	5.4
131.04945	0.2
131.08574	0.1
135.04420	0.3
137.02339	3.7
137.03406	0.2
145.02875	0.7
145.04958	2.4
145.06468	0.3
146.31110	0.1
149.02368	0.3
153.01830	5.0
154.02116	0.1
155.04832	0.2
161.05975	0.4
163.03896	1.0
165.01837	2.4
166.02635	0.3
166.08725	0.1
167.03308	0.1
173.06027	0.6
177.05469	0.9
179.03423	0.2
183.02908	0.9
183.04387	0.2
187.03952	0.4
191.03508	0.3
195.02908	0.3
201.05487	1.8
205.04959	0.2
209.76047	0.1
213.05664	0.1
215.03302	0.1
217.05000	0.3
219.06595	0.4
228.04259	0.2
229.04956	5.7
230.05362	0.1
239.03563	0.2
243.08997	0.1
245.04547	0.3
246.05225	0.3
247.05986	0.9
257.04440	3.2
257.07037	0.2
258.05066	0.1
273.03967	0.3
274.04730	1.0
275.05441	0.5
285.03952	1.9
286.04639	0.3
287.05591	0.1
301.03494	0.3
302.04233	1.1
303.04987	100.0
304.05319	2.9
315.05255	0.1
327.04837	0.7
345.06042	1.6
357.06219	0.3
424.68878	0.1
447.08774	0.2
465.10187	3.2
465.23953	0.2
466.10620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.5
55.05500	15.0
57.03453	7.2
57.07083	5.0
59.53695	3.5
67.05501	32.9
69.07066	15.8
69.67330	3.9
70.06576	3.2
71.00153	3.2
71.39787	6.7
79.05505	24.3
81.07051	34.6
83.08622	6.5
90.91228	3.5
91.05470	13.4
91.91982	3.5
93.07039	21.9
95.05009	4.1
95.08619	22.2
97.06580	5.0
98.98460	9.2
105.07046	10.0
107.08578	13.7
109.10153	10.9
113.00015	100.0
119.08601	9.0
121.10132	14.2
123.11763	4.5
131.08566	4.5
133.10213	4.3
135.11668	5.3
147.11702	6.3
149.13231	5.3
155.01021	13.3
159.11757	5.2
163.03876	6.2
163.14702	4.9
169.02628	81.5
169.77109	3.6
173.13385	3.9
187.03830	8.2
243.21057	7.4
261.22125	19.4
278.57404	4.3
284.29257	4.1
303.04974	7.0
311.25845	19.9
311.78397	3.5
314.62564	3.6
335.25772	56.7
369.61765	4.0
388.51169	3.9
446.29965	4.3
447.24896	5.8
464.30707	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	464.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44425	2.0
51.49263	2.0
53.03955	2.0
55.05509	10.7
57.03452	3.0
57.46224	1.8
57.80489	2.0
61.31455	2.1
65.03933	2.5
67.05508	20.1
68.38267	2.1
69.03429	3.3
69.07067	10.9
70.56635	3.1
71.05025	2.5
79.05502	11.2
81.07064	22.0
81.78658	2.1
83.04980	13.8
83.08612	6.3
85.02893	5.0
85.06535	3.3
86.09714	4.3
86.64399	2.0
87.26431	2.0
91.05468	11.7
93.07048	20.8
93.28016	1.8
94.07412	2.1
95.04956	6.6
95.08601	25.5
97.02888	4.8
97.06523	6.9
97.10161	3.1
101.13373	2.3
105.07026	24.5
106.07342	2.8
106.23762	1.9
107.04956	3.0
107.07941	3.7
107.08596	28.9
109.06503	5.7
109.10164	27.8
111.04444	14.3
111.08062	5.9
113.02363	10.8
117.07051	3.7
119.08584	41.9
121.06543	5.8
121.10152	18.1
123.08084	4.3
123.11713	6.0
124.99998	5.0
125.01830	2.1
125.09682	2.5
129.07010	2.3
131.03433	4.9
131.08592	12.3
133.06459	1.9
133.10124	23.8
135.08022	13.7
135.11662	5.6
136.08376	2.5
137.09602	11.3
141.07007	2.6
142.07759	2.9
143.08546	5.5
145.10127	15.3
147.08038	3.7
147.11688	18.0
149.09605	6.4
149.13289	3.9
151.07556	6.4
151.11147	6.5
152.07982	2.3
155.08566	3.2
157.10106	10.6
159.08075	2.4
159.11690	16.0
161.09669	4.8
161.13351	10.3
163.03932	3.5
163.11119	4.6
163.14867	10.3
165.09108	2.9
167.08316	2.3
167.10378	2.4
169.10136	6.7
171.11653	12.5
173.09567	3.9
173.13257	7.6
175.11310	3.9
175.14859	5.8
179.10797	2.8
183.11662	8.9
184.07346	13.6
185.13266	8.0
187.11157	5.6
187.14810	5.9
189.09137	3.7
189.12617	2.6
189.16374	5.1
191.03554	2.2
195.11668	2.8
197.13264	7.6
199.11209	2.7
199.14882	4.9
201.12749	4.3
201.16371	5.7
205.12257	6.2
205.15868	4.7
209.13274	2.6
211.14786	2.4
213.16411	4.2
217.12271	2.7
219.13791	3.7
221.13205	2.9
225.12813	2.4
229.12213	6.6
229.19493	2.7
231.13689	2.2
239.14264	3.2
239.17967	5.5
243.13770	3.2
245.15309	2.5
253.19547	5.4
257.15396	2.8
257.19009	8.5
271.20596	6.3
275.20032	13.8
281.19058	11.5
299.20068	46.7
303.04971	11.6
315.19614	3.0
316.19681	3.7
317.21124	100.0
318.21313	4.0
378.19745	3.2
445.98694	2.5
454.15646	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01860	3.2
55.05499	4.5
57.03437	18.0
57.91378	1.6
59.05009	3.7
60.04523	3.3
67.05494	3.1
69.03429	66.4
69.07062	3.0
70.64928	7.1
73.02885	2.0
75.04455	2.8
79.05491	21.8
81.03404	6.6
81.07063	4.9
83.04959	2.1
85.02906	61.3
87.04468	42.7
91.05474	17.3
93.07043	100.0
94.07388	2.4
95.04954	6.0
95.08607	4.7
97.02286	3.1
97.02895	62.0
99.04487	3.4
105.07018	6.6
107.08597	67.2
108.08931	2.6
109.02841	3.1
109.06525	3.6
109.10114	1.8
111.04444	2.0
115.03930	77.6
116.07061	3.6
119.04892	2.0
119.08582	5.8
121.06499	2.0
121.10136	4.0
123.04402	2.1
127.03921	13.7
129.07004	2.1
131.04971	2.6
131.08548	2.7
133.04967	79.6
133.10109	5.7
135.04469	2.5
135.11693	89.9
136.12070	2.4
137.05931	2.0
145.04976	11.6
145.10132	2.1
147.11665	2.9
148.05141	1.8
150.07599	16.6
153.01784	2.9
157.10147	3.4
159.11707	3.2
163.03894	5.1
163.06023	3.2
165.05533	2.0
173.08133	2.5
173.09618	1.9
173.13268	2.9
175.11310	2.1
177.05502	2.0
177.12738	7.4
178.88338	1.7
183.11685	2.1
191.03404	14.4
192.03723	2.1
201.52461	1.6
217.12093	2.1
229.04877	4.0
241.06996	2.9
249.14790	3.2
257.04443	14.1
259.08163	6.4
267.15961	10.1
273.03870	3.6
273.84756	1.8
274.04205	4.9
277.09100	3.4
285.03809	2.1
295.10153	6.1
301.03302	2.1
303.04993	34.4
379.17325	9.2
421.18289	12.9
464.10535	15.9
465.17453	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81295	1.5
53.03945	4.0
55.05500	2.3
57.03436	11.7
59.05001	4.0
60.04504	1.8
67.05502	2.3
67.32463	1.6
69.03436	46.1
69.07055	2.9
70.06566	1.7
70.75254	5.0
72.26266	1.4
72.95984	1.5
73.02910	2.8
75.04510	1.5
76.23607	1.4
77.03944	1.6
79.05492	22.2
81.03409	5.5
81.07071	4.7
85.02911	43.4
87.04472	31.2
91.03986	1.7
91.05495	13.2
93.07051	100.0
95.04961	8.7
95.08617	5.0
97.02904	40.5
98.16547	1.8
99.04458	2.8
105.04537	2.5
105.06998	6.2
106.06548	1.6
107.08604	26.0
107.40302	1.7
109.02864	4.6
109.06460	2.3
109.10149	3.9
111.04405	2.1
111.11896	1.4
112.06319	1.8
115.03152	3.1
115.03938	55.1
117.07025	2.4
119.08598	1.9
121.02885	1.9
121.10134	3.9
123.11711	1.7
127.03931	9.3
129.25490	1.7
131.08556	3.0
133.03996	3.4
133.04977	55.2
133.10135	5.9
135.08076	2.6
135.11696	40.0
143.08545	2.4
145.04973	10.2
147.04378	1.9
147.11670	2.6
150.07661	11.4
153.12749	2.5
154.88530	1.7
163.03922	2.5
163.06017	3.0
166.69984	1.7
177.12741	4.1
178.74561	1.6
191.03426	6.0
197.13239	1.6
216.07587	3.3
229.04977	3.6
235.50504	1.7
257.04449	7.9
259.08252	3.6
261.88770	1.5
267.15936	4.4
274.04254	2.9
295.10196	5.7
303.05005	28.7
421.14648	4.3
465.13596	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	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52324	1.0
53.03957	1.8
55.01870	2.4
55.05509	2.9
57.03148	1.4
57.03437	24.2
59.04998	5.5
60.04518	2.8
60.84147	1.2
61.02926	4.0
67.05510	3.1
69.03432	83.7
69.07073	2.7
69.29055	12.4
71.01367	1.3
71.04985	1.3
73.02910	5.9
75.04475	4.4
77.33781	1.2
79.05489	10.8
81.03452	6.9
81.07059	13.7
83.04967	2.7
85.02908	68.2
87.04472	56.2
91.03954	1.7
91.05467	11.0
93.07048	27.1
95.04971	4.2
95.08604	8.5
97.02895	69.1
97.06511	2.5
97.55701	1.3
98.20704	2.7
99.04434	2.8
103.03944	2.2
105.07030	7.1
107.08594	26.5
109.02882	3.5
109.06509	2.3
109.10151	3.5
111.04460	1.4
115.03933	93.0
119.04949	11.2
119.08568	5.8
121.02956	1.5
121.06487	1.4
121.10172	7.9
127.03925	8.9
129.07024	2.1
131.08656	2.6
133.04971	100.0
133.10115	6.4
135.11697	55.9
135.76244	1.0
136.12003	1.6
137.09605	2.5
139.03857	1.7
143.08553	2.8
145.04977	12.8
145.10123	4.8
147.04410	48.0
147.08090	1.7
147.11731	3.7
148.04770	2.3
149.09641	2.0
150.07629	18.1
151.05981	1.3
153.12750	23.6
155.08569	2.4
157.10136	2.7
159.11710	2.5
161.04544	1.7
163.05965	2.4
163.11143	1.9
165.09132	1.4
169.05003	2.1
173.08221	1.8
173.09625	1.7
175.11278	1.7
177.12737	2.9
191.03380	3.3
191.10826	1.2
193.12230	1.6
201.12834	1.9
203.14316	3.8
205.07188	1.6
213.12843	2.5
216.07564	1.9
217.08360	1.4
219.13904	4.2
223.05978	1.4
231.13766	6.9
237.14821	1.8
241.07069	3.4
249.14877	8.1
257.04471	1.5
259.08145	3.9
267.15958	7.9
277.09274	4.0
285.16833	2.4
295.10324	5.8
297.16846	1.7
303.04980	1.7
421.14621	2.0
465.13547	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	464.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01871	4.5
55.05499	2.2
57.03431	9.3
57.07074	1.3
60.72318	0.7
61.02924	8.5
67.05496	1.8
69.03428	19.9
69.07059	1.9
69.12603	0.7
71.01346	1.7
71.04985	1.6
71.59506	1.7
71.59883	0.8
72.78996	0.7
73.02917	52.8
73.84312	0.7
77.03901	1.0
79.05486	21.6
81.03398	5.0
81.07047	2.1
83.08639	1.7
85.02902	49.4
87.00797	1.8
87.04461	2.4
91.03968	1.8
91.05485	13.1
93.07042	100.0
95.04964	7.1
95.08608	3.4
97.02889	32.0
97.03517	1.7
99.04440	3.0
103.03951	1.6
105.01862	3.8
105.04509	1.2
105.07024	3.6
107.08595	25.0
108.10486	0.7
109.02869	5.2
109.06507	1.7
109.10161	2.1
111.04425	1.2
115.03922	16.9
117.07011	1.4
119.04951	0.9
119.08582	2.8
121.10147	12.5
123.08087	1.3
127.03912	16.2
129.07018	1.3
131.08617	1.2
133.04970	18.4
133.10112	0.9
135.11690	41.3
136.12067	1.1
145.04950	20.4
145.10074	0.9
147.11642	1.6
149.09645	1.7
150.07649	3.1
153.12704	1.8
155.08565	0.8
157.04948	0.9
157.10101	0.9
159.11742	1.2
163.03970	4.2
163.05998	8.6
177.12738	1.3
181.10800	0.7
181.12152	4.4
191.03429	1.0
193.04910	1.1
201.12944	0.9
217.04774	0.8
217.07004	1.0
220.34367	0.8
223.06068	3.4
229.05014	0.9
231.13846	1.5
237.00760	2.4
241.07147	3.9
249.06158	1.1
249.14949	2.0
255.01790	1.7
259.08130	8.6
267.15952	3.3
273.03976	1.4
277.09262	2.4
281.07321	0.9
285.07196	0.9
295.10275	4.6
297.17087	1.0
297.46512	0.8
303.04984	8.2
318.06870	1.4
347.11517	5.1
347.61569	1.4
353.60800	0.9
464.10843	1.6
464.25043	1.0
465.13498	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	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	6.7
57.03442	20.7
59.04998	7.0
60.04539	6.9
61.02926	6.0
69.03075	5.6
69.03436	84.5
69.59472	16.4
69.59904	11.6
73.02926	4.8
75.04501	5.4
81.03439	5.9
83.04983	4.8
84.04498	4.8
85.02913	100.0
86.09715	16.6
87.04476	63.5
91.05482	23.8
95.01319	6.6
97.02903	88.0
98.97569	4.7
99.04456	6.9
104.05337	20.1
107.04960	10.4
109.02891	7.0
111.04535	4.8
113.02344	3.4
115.03941	87.2
116.98647	5.9
117.03391	6.1
119.04966	7.2
123.04435	3.5
127.03942	26.2
131.04948	22.2
133.04991	93.2
133.06027	7.4
141.01816	21.2
143.08223	5.4
145.02846	10.5
145.04964	32.0
147.04405	26.3
149.06032	7.1
150.07643	30.4
152.07127	3.8
153.05466	6.9
158.65028	3.5
159.02956	6.6
163.03944	4.6
163.06117	9.6
169.05109	3.6
177.05511	33.2
179.76509	3.6
189.05544	6.4
191.08539	4.9
191.52917	4.6
201.00798	5.9
216.97935	3.7
223.71643	4.7
231.06656	4.3
236.97917	3.5
264.10120	10.6
312.12930	3.6
323.10150	4.4
383.12881	14.7
437.13181	5.1
464.11877	4.2
464.18314	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	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
53.37033	0.5
55.01860	1.0
55.05518	3.6
56.37500	0.6
56.96574	0.7
57.03415	0.8
57.07073	2.9
67.05489	2.4
69.03424	2.1
69.07061	2.0
70.04623	1.4
70.05022	1.2
79.05490	1.9
81.03405	2.7
81.07052	3.2
83.04975	2.0
85.02900	5.9
85.06512	1.4
87.00821	2.0
91.05466	1.7
93.07053	4.5
94.24355	0.6
95.04972	0.9
95.08607	5.5
97.02900	4.0
97.06523	2.1
98.20839	1.2
99.04456	1.0
105.01877	2.3
105.07040	2.0
107.08606	5.7
109.02874	2.8
109.06522	1.7
109.10143	1.2
111.04447	28.3
111.08088	1.8
117.07060	0.8
119.08530	1.4
121.06516	1.4
121.10152	1.5
125.06004	10.1
127.03934	5.3
127.07555	0.7
133.10141	1.8
135.08051	4.5
135.11710	6.3
136.06195	18.8
137.13235	1.0
139.07513	1.5
145.02882	0.6
145.04971	1.6
145.10114	4.4
153.12759	1.7
159.02995	0.6
161.05974	0.8
161.13254	1.1
163.11198	7.3
175.11246	0.6
179.14360	0.9
181.12241	100.0
182.12674	0.9
199.13300	9.8
213.04048	0.7
231.04974	1.5
263.72580	0.6
303.04703	0.7
329.19379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03188	2.8
57.03441	33.4
59.05007	2.6
61.02929	13.6
61.80293	1.7
65.03950	2.9
69.03433	35.3
71.01369	5.1
71.04166	5.5
71.04985	1.7
73.02921	73.0
74.01543	1.5
76.07645	4.0
81.03412	5.1
84.08143	1.5
85.02905	56.0
87.04451	4.1
91.03937	2.7
93.03413	1.7
95.04976	1.8
97.02892	62.4
99.04444	2.6
104.72063	1.8
105.07055	2.8
109.02887	3.9
111.04411	1.9
115.03938	53.6
121.02869	62.0
127.03919	17.7
133.04965	18.7
145.04948	17.1
147.04457	2.2
153.05470	100.0
163.06070	5.2
174.17165	1.6
177.05489	2.5
223.06056	5.5
241.07109	7.8
259.08145	4.0
284.15042	1.9
308.02185	1.6
464.21753	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01883	11.0
55.05501	2.7
55.74977	2.1
56.96559	4.3
57.03232	1.9
57.03440	21.8
58.06547	2.4
59.04967	2.4
61.02931	18.9
67.05505	5.2
69.03072	3.4
69.03428	43.7
69.07063	2.8
69.31536	2.1
69.56471	19.3
70.06567	6.1
70.51612	2.1
71.01358	4.9
71.04983	5.5
73.02917	77.8
74.06078	3.3
79.05490	4.2
81.03447	11.0
81.07030	4.8
83.04983	4.4
84.04472	3.1
84.08154	3.5
85.02908	99.4
86.09725	5.4
87.04465	8.3
91.03957	5.3
91.05473	10.2
93.07018	5.3
95.04952	10.2
95.08582	5.0
97.02283	4.8
97.02898	79.1
99.04446	7.6
103.03930	6.4
105.07020	7.5
107.04974	3.8
107.08602	3.2
107.28787	2.2
109.02886	8.9
115.03934	42.9
116.07027	2.4
119.04924	10.0
119.08576	3.5
120.08109	3.6
121.02870	55.0
121.06509	4.3
121.10192	3.6
123.08110	2.8
127.03078	4.1
127.03934	46.3
133.04971	49.2
133.06448	3.0
133.10138	5.4
135.04427	2.4
135.11810	2.5
145.02896	2.4
145.04967	50.5
145.06090	2.2
147.03441	2.9
147.04424	19.1
149.09679	5.0
153.05470	100.0
153.12759	2.7
159.66096	2.5
162.12851	2.1
163.03882	2.9
163.06029	13.0
163.07365	2.8
165.12720	2.4
167.07063	4.9
177.03279	2.4
177.05479	7.2
178.06075	2.4
193.08513	6.2
196.46199	2.9
199.05963	2.2
210.85645	2.1
211.09702	3.6
223.05960	2.7
235.70377	2.3
237.14900	2.2
239.79353	2.3
241.07082	8.4
255.11934	2.2
257.04065	2.2
259.08063	8.9
267.12350	2.3
277.09192	2.5
302.12619	2.7
302.16003	3.9
303.05002	14.2
315.13483	4.5
464.16577	6.6
465.18942	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90693	0.6
53.03930	1.1
55.01876	1.6
55.05511	10.0
57.03441	5.9
57.07052	1.7
61.45168	0.7
63.41663	0.7
63.43203	0.7
65.75005	0.8
67.05505	23.4
69.07073	8.1
69.85358	4.2
71.04995	1.3
71.08632	27.6
79.05495	21.7
81.03408	2.2
81.07058	28.9
83.04983	5.1
83.08620	5.9
85.06565	1.8
86.84595	0.8
91.05480	17.9
93.07042	30.9
95.04932	6.0
95.08049	1.5
95.08611	20.8
97.06542	5.3
97.10172	2.5
98.21440	0.8
99.08089	15.0
105.07036	10.1
107.04949	4.4
107.08597	13.5
108.83478	0.9
109.06518	3.2
109.10155	7.0
111.08102	2.0
113.00020	22.3
113.09630	2.2
117.07030	2.4
119.07800	1.0
119.08586	12.4
121.06512	1.7
121.10134	12.9
123.08105	0.8
123.11690	1.5
126.28843	0.8
127.11204	1.0
129.06996	1.3
131.08524	2.5
133.10136	7.3
135.08006	1.2
135.11703	15.3
137.09593	2.5
139.03558	0.8
139.11218	0.9
141.09100	2.1
143.08539	1.8
143.32018	0.7
145.10123	3.5
147.11711	3.6
149.13243	4.9
151.02657	0.8
151.11165	9.8
153.12747	1.1
157.10117	1.2
159.11685	3.6
161.13251	7.2
163.03819	1.1
163.11142	4.3
163.14821	1.4
167.10632	1.3
169.02621	6.6
171.11679	1.1
173.13344	1.3
175.11290	1.1
175.14868	1.8
177.12772	1.7
179.14307	51.8
185.13295	1.2
187.03688	1.8
189.12743	2.2
195.13884	1.1
198.76501	0.8
221.15398	1.2
235.16957	2.0
241.19504	2.0
243.67081	0.9
259.20599	4.7
277.21622	34.4
295.22583	1.8
333.24353	1.5
347.16086	1.1
351.25299	100.0
352.25613	2.3
445.23248	2.0
449.18674	1.0
463.30276	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80580	2.3
53.03961	2.5
55.05518	16.4
57.03427	8.2
57.07053	2.4
67.05501	37.8
69.07070	20.6
70.25340	2.2
70.31818	7.8
79.05482	13.3
81.07059	38.1
83.08599	11.2
91.05459	9.0
93.07018	12.6
95.08600	33.2
97.10149	4.2
98.98463	43.5
105.07024	5.6
107.08569	9.3
109.10156	11.2
111.08088	2.6
112.99992	10.1
119.08587	6.5
121.10152	2.7
123.11694	3.4
127.01593	11.4
133.10150	3.2
135.11613	3.1
137.09712	2.6
147.11742	6.0
149.13234	3.6
155.01060	12.5
169.02617	3.4
173.47342	2.4
183.04150	27.4
188.29756	2.6
201.05266	2.9
263.23679	3.1
302.74081	3.1
337.27356	100.0
338.27649	2.8
351.28842	9.7
353.10187	2.5
380.96277	2.5
463.24271	8.5
463.30286	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	463.1238
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
65.24128	0.1
65.28844	0.1
69.03429	0.1
69.07069	0.2
79.05572	0.2
81.07063	0.2
83.08608	0.2
84.10287	0.1
85.02949	0.3
85.03922	0.1
89.37280	0.1
95.08655	0.2
98.20800	0.4
100.11228	0.2
111.91958	0.1
114.67067	0.1
121.10126	0.2
147.04440	0.2
153.01924	0.5
163.03850	0.2
170.20805	0.2
191.03401	0.2
229.04941	0.2
258.05261	12.2
259.05560	0.2
273.04013	0.3
286.04739	32.3
287.05090	0.5
301.07080	100.0
302.07428	2.3
463.12173	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01858	0.9
55.05508	3.3
57.03449	4.4
57.07047	0.6
65.03931	0.6
67.05505	5.8
69.03433	4.7
69.07069	6.4
69.56002	4.4
71.05012	3.4
73.02911	2.4
79.05499	9.2
81.03424	0.9
81.07061	18.4
81.51750	0.5
83.04983	2.8
83.08638	2.8
85.02912	5.6
85.06547	83.5
86.06869	0.6
86.09705	1.0
87.04459	0.6
91.05489	6.5
93.07047	34.8
95.01340	5.2
95.04977	2.7
95.08605	10.6
97.02899	1.8
97.06535	27.3
97.10180	1.2
99.08094	1.4
103.03971	1.3
105.07030	9.5
107.04935	0.8
107.08602	19.4
108.21305	0.6
109.02898	1.0
109.06547	1.7
109.10192	3.1
111.08089	2.2
112.92663	0.5
113.02389	1.6
117.03407	0.8
117.07018	1.8
119.08578	9.8
121.06482	2.0
121.10147	40.1
122.10497	0.7
123.08100	3.0
123.11726	2.3
125.09642	1.7
127.03906	1.0
129.06985	1.0
131.03395	1.0
131.08569	3.0
133.10112	3.8
135.04402	1.3
135.08075	1.0
135.11679	1.8
137.09634	2.5
137.13301	0.7
139.11212	1.0
141.01828	7.8
143.07037	4.5
143.08014	0.6
143.08563	0.5
144.09361	1.6
145.02917	0.6
145.10153	0.5
147.11713	4.2
149.09659	1.1
149.13263	30.2
151.11203	1.0
153.01842	0.5
155.10840	0.6
157.10127	1.1
159.02934	0.6
159.11694	14.0
161.13248	0.8
163.03911	6.6
165.12778	6.5
167.14339	4.9
169.08702	0.9
177.12761	35.6
178.13005	0.5
179.14297	1.1
187.09854	1.1
191.03415	4.7
195.13812	25.8
213.14867	5.6
221.15445	0.5
229.14388	0.7
251.16461	0.9
257.17484	1.1
258.05222	2.2
269.17493	100.0
270.17783	1.9
273.03922	5.6
274.04282	0.9
286.04770	3.4
287.18600	4.4
301.03836	0.8
301.07056	8.2
302.04315	0.7
319.10294	1.2
353.15985	0.6
360.55319	0.7
391.17624	0.9
414.03012	0.5
427.19693	2.3
445.20901	6.0
463.11942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.2
69.03407	0.1
71.60525	0.1
79.05462	0.1
81.07033	0.2
83.48612	0.1
85.06523	0.1
100.11271	0.1
109.10138	0.2
121.10136	0.2
140.88356	0.1
149.05861	0.1
152.49651	0.1
153.01836	0.3
159.47217	0.1
163.03859	0.1
225.79222	0.1
226.99100	0.1
229.04970	0.3
258.05255	11.5
259.05618	0.3
286.04733	30.2
287.05099	0.8
301.07074	100.0
302.07397	2.7
328.79300	0.1
463.12372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.6
52.74705	0.4
53.03930	0.9
55.05510	0.6
56.08245	0.4
67.05500	1.5
68.99782	2.0
69.03427	0.9
69.07063	1.0
70.06583	1.3
70.45994	1.4
71.04982	0.9
72.08129	0.5
77.03919	1.7
79.05500	2.7
81.03433	0.6
81.07056	3.3
83.08587	0.7
85.02901	0.9
86.09680	1.3
87.59972	0.4
89.03910	9.0
91.05476	2.5
93.07034	2.0
95.04955	1.8
95.08598	1.9
97.02898	1.0
99.04414	0.5
99.08028	0.4
100.07633	0.4
100.11228	0.8
105.03398	2.9
105.07024	1.4
107.04932	2.3
107.08579	1.4
107.09228	0.5
109.02904	0.6
109.10142	1.3
110.31847	0.5
115.05450	1.0
117.03372	8.4
117.06999	0.8
119.08572	1.4
121.10124	0.8
123.04423	1.0
125.24111	0.4
127.03919	1.2
131.08499	0.7
133.02855	4.6
133.06490	0.5
133.10130	0.7
135.04414	18.4
135.11647	2.4
136.11998	0.5
137.02351	5.4
137.03333	0.8
137.05960	0.8
145.02843	12.7
147.04436	0.6
147.11703	0.7
153.01804	2.3
153.12735	5.8
154.13098	2.9
157.10060	0.4
161.05952	0.8
163.03900	100.0
163.42642	0.4
164.04240	1.1
167.06996	0.7
171.04408	1.4
175.03815	0.6
177.05446	1.6
186.05508	0.7
189.05458	2.0
191.03389	35.4
192.03712	0.8
199.03908	1.0
203.03343	1.3
217.04967	1.5
227.03409	5.8
228.04010	0.8
228.81111	0.5
229.05057	0.8
245.04477	4.6
247.24246	0.6
255.02924	4.3
256.03607	1.0
258.02344	0.4
265.04770	0.5
265.25305	0.8
269.04309	0.5
273.03928	95.9
274.04437	2.4
281.06906	0.5
285.03867	0.6
301.03464	8.6
301.06738	1.0
302.04199	5.8
303.05005	5.7
370.96939	0.5
378.09174	0.5
418.30505	0.5
421.05505	0.9
427.22449	0.6
445.05627	1.0
463.06110	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
56.96577	0.5
57.03431	0.7
61.02936	0.6
63.82362	0.5
69.03422	2.9
69.46199	2.4
69.46632	1.7
72.08135	0.7
73.06523	0.5
81.03418	1.1
85.02905	7.5
86.09709	1.1
87.04484	2.4
89.06036	76.3
91.03979	0.5
91.05458	0.6
93.07069	1.0
95.04939	0.7
97.02888	1.6
98.20743	0.5
98.97592	0.7
104.07115	0.4
105.07027	0.7
107.07068	2.9
107.08566	0.7
119.08568	0.6
127.03903	1.7
128.67397	0.4
130.08653	1.2
131.07066	0.6
131.08566	0.5
133.08606	37.4
135.08023	0.6
145.04962	0.6
147.04407	1.2
151.09634	1.2
166.31238	0.4
177.05576	0.5
177.11229	12.7
187.11081	0.8
195.12335	2.7
201.12660	0.5
214.05782	0.6
221.13852	0.9
239.14905	2.2
247.13362	1.6
265.14331	4.4
283.17523	100.0
284.17807	0.9
315.29492	0.4
400.85199	0.4
439.22351	0.5
462.25604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05495	1.3
57.03429	2.2
58.39833	1.0
60.04502	1.2
61.02906	0.8
63.20301	0.8
64.25682	1.0
67.05488	3.0
69.03429	9.9
69.07068	1.4
70.06587	2.1
71.04989	1.5
71.58851	1.5
72.08152	2.5
73.02926	1.1
79.05494	2.5
81.03411	3.0
81.07064	1.7
83.04950	1.9
83.40951	1.0
84.04458	1.0
84.08116	1.6
85.02430	1.2
85.02900	13.0
86.09696	4.1
87.00805	1.2
87.04476	2.0
89.06026	2.8
91.05489	4.0
93.03455	1.2
93.07037	4.8
95.04968	5.6
95.08600	2.0
97.02903	5.1
97.06541	1.2
99.04453	1.4
103.05462	1.0
105.07014	5.5
107.04936	1.6
107.08586	2.7
109.02881	2.7
109.06532	5.0
111.04433	4.4
113.05979	1.5
115.03934	1.8
116.98609	1.6
117.07011	1.0
119.04910	1.5
119.08582	8.2
121.06506	4.2
121.10124	1.6
123.08064	3.1
127.03926	5.9
128.06178	1.1
129.10265	1.4
130.06529	1.3
131.08604	4.7
133.04965	1.0
133.06502	2.5
133.10120	1.8
135.08060	9.7
137.06018	1.0
137.09590	3.6
143.08495	1.3
145.02827	1.2
145.04958	1.7
145.06462	2.4
145.10139	3.8
147.04399	2.4
147.08076	5.9
147.11635	1.1
149.87057	0.9
153.09120	1.3
156.09322	1.2
157.07620	1.4
157.10098	2.1
159.08058	4.6
159.09172	1.0
159.11633	4.4
161.09608	5.0
163.03958	2.1
164.04205	1.0
165.09108	3.0
170.06128	1.0
171.11661	2.2
172.08827	2.7
173.09648	3.5
173.13263	2.5
175.07513	8.0
175.08717	1.0
175.11145	4.9
177.05505	2.2
183.11664	1.7
185.09663	1.3
187.11186	6.1
189.09142	2.2
193.08569	2.2
196.08827	1.8
199.11189	4.1
201.12727	4.4
203.10605	5.3
205.12151	1.2
207.10226	1.2
211.11214	3.5
217.12236	3.6
219.13757	2.2
229.12227	4.1
235.13277	2.2
247.13303	22.5
265.14349	100.0
282.12521	1.9
283.17450	3.2
463.17239	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76532	9.8
63.68410	10.5
67.05509	12.2
69.03422	19.7
69.07059	11.4
70.06590	34.5
70.95888	28.1
71.05007	53.3
81.03424	24.5
81.07056	20.1
85.02910	70.6
86.09707	13.0
86.31578	10.2
87.00796	11.3
91.05454	10.1
93.07048	42.8
95.08619	17.1
97.02884	31.9
98.97582	15.9
105.01901	13.0
107.04858	12.1
107.08604	47.0
109.02866	16.7
127.03905	68.9
129.05518	16.6
133.10146	12.0
135.11691	44.4
153.12785	20.4
163.03922	48.0
189.74474	10.7
196.13292	21.8
196.16959	15.7
214.14421	41.1
287.19272	10.0
287.44589	10.3
302.04266	16.0
317.06561	100.0
462.23376	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82629	0.7
53.03945	1.2
55.05504	1.5
59.04981	1.1
62.10090	0.6
67.05489	1.1
69.03436	3.4
69.07056	1.3
69.73949	2.9
69.74363	1.8
70.06582	1.3
71.04993	8.7
73.06539	2.5
79.05468	2.5
81.03400	2.7
81.07050	9.8
82.03738	1.0
83.04968	0.7
83.08607	1.7
84.08141	0.9
85.02913	4.8
86.03241	1.2
87.00813	2.5
91.05435	1.8
93.07040	8.6
95.04957	0.9
95.08588	2.7
97.02885	2.8
97.06518	1.2
99.04449	1.3
100.11210	0.9
105.01876	2.1
107.08604	5.5
109.02876	2.3
109.10194	1.2
119.08527	1.2
125.09709	0.7
127.03904	5.5
128.04254	1.2
133.10152	1.3
135.04456	0.8
135.11690	14.2
143.10681	1.0
145.04955	1.6
153.12740	100.0
163.03885	5.9
167.07039	1.3
191.03404	3.2
196.13388	0.8
196.17014	1.6
214.14362	1.2
214.18129	0.8
231.05034	0.9
249.05862	0.9
273.03931	7.1
303.04877	0.8
394.14499	0.8
462.23444	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76532	9.8
63.68410	10.5
67.05509	12.2
69.03422	19.7
69.07059	11.4
70.06590	34.5
70.95888	28.1
71.05007	53.3
81.03424	24.5
81.07056	20.1
85.02910	70.6
86.09707	13.0
86.31578	10.2
87.00796	11.3
91.05454	10.1
93.07048	42.8
95.08619	17.1
97.02884	31.9
98.97582	15.9
105.01901	13.0
107.04858	12.1
107.08604	47.0
109.02866	16.7
127.03905	68.9
129.05518	16.6
133.10146	12.0
135.11691	44.4
153.12785	20.4
163.03922	48.0
189.74474	10.7
196.13292	21.8
196.16959	15.7
214.14421	41.1
287.19272	10.0
287.44589	10.3
302.04266	16.0
317.06561	100.0
462.23376	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.3
55.05492	1.5
57.18557	1.3
57.29246	1.1
62.56284	1.1
62.80346	1.2
65.47594	1.2
67.05504	1.6
68.99780	1.5
69.03391	1.2
69.07069	2.0
69.83622	7.2
70.06590	1.9
71.04991	10.4
72.54218	1.2
73.06533	2.1
79.05506	3.0
81.03409	2.5
81.07050	11.6
85.02901	3.8
89.03926	6.5
91.05483	2.4
93.07024	9.2
95.08578	1.4
97.06549	1.8
100.11285	2.0
103.05466	2.4
105.01862	1.9
107.04955	3.5
107.08588	7.4
109.02901	2.4
117.03369	9.0
127.03904	4.4
131.04900	4.8
132.05276	2.1
133.02846	4.8
135.04399	16.6
135.11687	17.7
137.02324	4.2
145.02812	7.4
153.01880	2.2
153.12735	100.0
154.13048	2.0
163.03900	84.9
167.07118	1.9
177.05447	1.7
191.03383	28.1
203.03340	2.0
214.14388	1.3
225.65031	1.4
227.03387	4.2
245.04591	3.1
255.02852	4.0
273.03931	73.1
301.03485	6.0
302.04099	4.2
303.05045	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	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82629	0.7
53.03945	1.2
55.05504	1.5
59.04981	1.1
62.10090	0.6
67.05489	1.1
69.03436	3.4
69.07056	1.3
69.73949	2.9
69.74363	1.8
70.06582	1.3
71.04993	8.7
73.06539	2.5
79.05468	2.5
81.03400	2.7
81.07050	9.8
82.03738	1.0
83.04968	0.7
83.08607	1.7
84.08141	0.9
85.02913	4.8
86.03241	1.2
87.00813	2.5
91.05435	1.8
93.07040	8.6
95.04957	0.9
95.08588	2.7
97.02885	2.8
97.06518	1.2
99.04449	1.3
100.11210	0.9
105.01876	2.1
107.08604	5.5
109.02876	2.3
109.10194	1.2
119.08527	1.2
125.09709	0.7
127.03904	5.5
128.04254	1.2
133.10152	1.3
135.04456	0.8
135.11690	14.2
143.10681	1.0
145.04955	1.6
153.12740	100.0
163.03885	5.9
167.07039	1.3
191.03404	3.2
196.13388	0.8
196.17014	1.6
214.14362	1.2
214.18129	0.8
231.05034	0.9
249.05862	0.9
273.03931	7.1
303.04877	0.8
394.14499	0.8
462.23444	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.2
67.05498	6.0
69.07073	7.6
70.09599	5.4
71.59213	5.2
71.59591	7.9
74.84660	4.6
79.05495	10.1
81.07039	7.3
85.02914	5.1
88.82604	5.9
95.08599	6.6
96.94476	5.1
97.02931	6.5
105.07045	12.9
107.04977	9.4
107.08621	7.8
109.06537	6.5
113.28601	5.8
119.08647	8.2
127.03893	5.1
131.04913	12.1
133.06508	12.1
137.06004	40.9
159.11700	6.2
161.06013	81.3
163.07616	14.0
165.09131	8.6
175.07588	11.9
190.07861	9.8
194.07291	12.9
201.09154	9.1
205.10132	13.9
218.07353	9.2
222.06790	15.2
232.08853	6.0
233.09673	29.5
234.10260	6.3
235.11197	5.1
237.09113	10.6
250.06430	7.8
261.09161	21.1
263.06894	8.7
265.08658	55.4
265.12311	16.7
277.56519	5.7
278.09476	8.4
293.11804	65.2
297.11246	52.1
310.11911	5.7
325.14294	58.2
353.13797	29.2
385.16483	100.0
462.29248	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	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02339	2.4
53.03941	2.5
55.01876	2.4
57.03441	10.9
60.04522	23.5
61.80826	2.2
69.03434	28.9
70.06588	9.2
71.04983	2.2
71.58521	2.8
72.08150	7.5
73.02914	8.8
73.08527	1.9
74.06075	9.7
76.04011	4.0
79.05507	5.4
81.03422	2.9
81.07050	4.6
84.04506	3.1
84.08149	2.5
85.02906	33.1
86.09702	16.5
87.04482	13.3
91.05478	25.5
91.85805	2.3
93.07034	3.6
94.06563	2.9
95.04964	4.6
97.02903	26.3
99.04457	3.2
102.05551	2.8
103.05448	2.5
105.07042	10.0
106.06548	4.3
107.04950	44.9
107.08559	4.5
109.02909	3.3
109.06535	6.9
115.03931	17.7
115.05502	2.8
116.07095	2.9
117.05779	6.3
120.08097	30.2
121.06519	6.1
122.09624	4.3
122.60802	2.0
127.03916	6.0
131.04958	3.8
132.08095	63.0
133.04964	20.1
133.06456	12.3
135.04358	2.7
137.05930	2.6
141.01033	2.0
145.04930	3.1
150.09135	100.0
154.10226	2.1
163.03899	10.8
168.10228	9.8
177.05464	2.6
252.09332	4.6
261.09967	12.7
312.14511	19.5
330.15491	3.9
462.19864	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	461.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.7
67.05490	26.2
69.07068	39.7
71.04996	19.5
71.58326	13.0
74.79300	8.2
77.32630	8.6
79.05496	25.2
81.07056	100.0
83.08617	20.0
91.05474	22.3
93.07048	39.9
95.08613	81.3
105.07007	42.2
107.08586	50.0
109.10160	89.4
115.90992	8.9
119.08578	34.6
121.10162	46.4
123.11717	39.1
127.11205	26.7
131.08588	13.7
133.10138	27.5
135.11681	36.7
137.13240	21.9
145.10101	13.1
147.11674	50.0
149.13249	31.0
153.12764	17.2
159.11728	22.5
161.13268	27.6
163.14944	18.0
173.13269	9.8
175.14845	12.6
177.16393	20.1
189.16441	18.3
191.17958	11.2
193.15857	11.1
196.32877	8.1
201.16600	10.7
203.17981	22.2
215.17941	21.3
217.19467	13.8
229.19556	11.5
233.18951	9.8
236.84566	9.9
251.20010	20.1
269.27249	10.5
331.29761	7.8
413.37433	9.2
425.38126	10.5
443.38995	12.4
461.19540	46.1
461.36206	56.4
462.20319	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	461.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01860	0.8
55.05512	3.6
56.49088	0.5
57.03430	0.8
57.07070	0.6
67.05504	8.0
69.03426	3.8
69.07063	6.1
71.05000	1.1
71.59621	1.1
71.59985	0.6
76.58108	0.5
79.05492	4.9
81.03423	3.0
81.07054	15.8
83.01342	1.2
83.04988	2.5
83.08614	2.2
85.02902	2.3
85.06524	1.6
89.03919	6.1
91.05484	3.9
93.07035	6.9
95.04964	2.4
95.08601	15.4
97.02885	2.4
97.06538	1.0
97.10167	1.7
99.04459	1.0
100.11257	1.2
103.05489	0.7
105.07029	6.0
107.04942	3.0
107.08580	5.4
108.05713	0.6
109.02878	1.8
109.06512	3.9
109.10156	6.5
111.04427	6.1
111.08080	1.3
111.11731	0.9
113.09657	0.7
115.03912	0.9
117.03374	6.5
117.06985	1.4
119.04945	0.8
119.08580	4.2
121.06505	3.1
121.10116	4.3
122.07275	1.3
123.04436	1.4
123.08062	11.4
123.11691	3.3
125.09679	0.6
127.03925	1.8
129.07004	1.0
131.04924	0.8
131.08562	3.8
133.06534	0.8
133.10114	2.6
135.03392	1.1
135.04411	14.4
135.08051	7.5
135.11670	2.1
137.05978	1.2
137.09612	5.8
137.13235	3.0
143.08488	1.3
145.02847	10.3
145.06433	0.7
145.10133	4.2
147.04430	2.7
147.08018	1.1
147.11667	2.1
149.05894	0.7
149.09599	3.9
149.13239	0.7
151.07533	100.0
151.14793	0.9
153.12718	1.2
155.08484	0.9
157.10104	1.5
159.08043	3.6
159.11703	2.5
161.05977	2.9
161.09660	1.6
161.13255	1.1
162.06786	2.0
163.03900	87.1
163.07465	1.4
163.11171	6.4
163.14751	0.6
164.04254	2.9
165.09108	53.0
165.12814	2.9
167.07040	1.8
171.11679	0.7
172.08824	1.1
173.09616	5.2
175.07466	1.3
175.11118	0.8
175.14767	0.5
176.08333	6.4
177.09103	43.0
177.12637	1.6
178.09547	0.6
179.10582	1.0
187.07507	1.4
187.11105	2.8
189.09091	2.5
189.12759	1.9
190.09862	2.9
191.10660	99.6
192.11000	1.1
195.13704	0.6
199.11177	1.0
201.09076	0.7
201.12735	0.8
203.10680	1.6
205.12231	53.2
207.13803	0.8
215.10646	0.6
217.08714	1.0
219.01837	0.7
219.13751	5.2
229.12138	0.7
245.15335	2.0
251.23625	1.0
263.16403	2.6
271.16864	2.3
275.19879	0.7
277.25217	0.7
309.24426	0.9
323.25766	1.2
328.78452	0.7
349.23792	1.0
415.32214	4.2
443.20749	1.5
443.31491	0.9
461.22058	3.9
461.32681	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	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01864	2.1
55.05519	9.7
57.07075	1.5
58.64839	1.3
58.68666	1.3
61.02940	1.3
64.46571	1.3
65.19248	1.5
67.05499	3.6
67.44994	1.3
69.03434	8.3
69.07065	12.6
71.04990	2.9
71.60497	2.1
72.08178	1.6
79.05492	5.3
81.03421	3.3
81.07070	14.3
83.08627	7.8
84.08146	2.0
85.02917	12.2
85.06570	3.2
85.67506	1.4
86.09713	9.3
87.00829	3.3
87.04492	2.1
87.27985	1.5
91.05463	4.7
93.07033	12.2
94.33641	1.4
95.04999	1.6
95.08614	22.2
97.02888	8.0
97.10189	4.1
98.97572	2.5
99.04486	3.1
99.08096	20.3
105.01862	5.7
105.07043	5.2
107.08598	26.5
109.02902	3.5
109.10180	6.8
111.08105	5.8
113.09690	2.5
116.98586	1.5
119.08568	2.7
121.10150	43.8
123.11707	2.0
125.09618	5.5
125.13296	1.6
127.03922	5.9
131.04936	1.6
135.11687	9.7
137.05939	3.0
137.13260	4.7
139.11163	1.9
145.04990	2.3
147.04379	1.5
148.07571	1.5
149.13300	3.2
151.03931	2.1
167.10719	6.6
177.00705	1.6
177.05629	1.9
177.16393	100.0
195.17458	21.5
213.18520	48.3
217.08281	1.3
244.59982	1.1
276.03909	1.4
461.20361	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	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01082	2.3
53.03950	13.0
55.01871	14.1
55.05514	21.4
57.03438	9.5
57.07076	5.3
59.04990	2.1
60.04518	10.3
61.02946	5.6
61.78508	2.3
67.05511	17.3
67.94986	2.2
68.99788	5.2
69.03072	4.8
69.03432	61.8
69.07074	47.3
71.00569	4.9
71.00925	2.4
71.04988	14.8
73.02914	9.0
73.35794	2.1
79.05493	12.8
81.03422	50.2
81.07064	45.8
82.06601	2.9
82.07399	4.5
83.04985	13.9
83.08614	10.0
85.02911	100.0
85.06550	16.1
86.09703	3.3
87.00838	27.9
91.05495	9.2
93.07041	17.2
94.06551	2.3
95.04954	6.8
95.08045	3.8
95.08614	42.6
97.02888	34.9
97.06517	9.5
97.10162	11.0
99.04459	24.0
99.08113	28.7
100.11264	5.8
101.02393	2.3
103.03892	2.7
103.05475	21.9
105.01861	21.8
105.07028	15.3
107.04957	49.1
107.05622	4.6
107.08594	27.1
109.02886	52.9
109.06523	5.0
109.10168	20.4
111.04472	3.1
111.08069	3.9
111.11755	6.9
113.09641	9.8
115.03922	5.0
117.01838	6.9
117.06999	4.4
119.08601	7.8
121.06506	4.0
121.10144	37.3
123.08061	3.2
123.11715	10.0
125.09630	9.9
127.03920	88.7
127.11160	3.0
129.01826	5.6
131.04929	34.2
131.08618	3.7
133.06477	2.7
133.10138	23.7
135.11685	17.8
137.06007	5.6
137.09625	6.1
137.13252	18.5
138.09105	5.5
139.09474	2.5
139.11194	9.2
145.03009	2.3
145.04980	30.8
145.10150	3.6
147.02910	4.4
147.04419	12.8
147.08151	2.9
147.11681	6.5
149.13286	3.1
151.07503	2.8
151.14867	5.7
153.12743	18.5
154.42917	2.0
156.10191	3.9
159.02905	29.9
159.11667	3.9
161.05945	4.5
161.13242	3.9
163.07545	11.4
165.09074	2.9
167.07057	7.4
171.11710	3.7
175.14932	3.6
177.05440	3.4
177.16396	66.2
182.15405	5.1
189.04060	2.8
193.04980	25.3
193.12143	2.8
195.17453	71.6
203.14273	2.2
210.14967	6.1
213.04028	3.8
213.18515	67.1
219.17487	3.9
227.17690	2.7
231.04997	18.1
249.06265	2.8
278.09473	2.5
278.12512	2.7
285.11172	2.3
299.09146	67.0
300.09595	5.0
307.27960	2.4
425.30844	4.0
443.31940	11.4
459.46133	2.3
461.23679	11.7
461.29404	10.3
461.33704	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	461.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67338	0.8
52.02584	0.8
53.03939	0.9
55.01861	1.7
55.05510	6.7
57.03424	1.3
57.07072	1.7
64.63335	0.7
67.05515	3.7
69.03438	5.5
69.07074	11.8
71.05005	4.7
71.60900	1.3
72.08158	0.9
79.05495	5.0
81.03417	2.4
81.07062	12.6
83.08626	6.0
85.02908	9.2
85.06530	2.7
85.49811	0.7
86.09736	5.2
87.00838	4.9
91.05479	2.3
93.07038	11.9
95.08609	26.1
97.02896	4.0
97.06557	1.4
97.10178	4.0
99.04423	0.9
99.07476	1.5
99.08099	23.4
105.01888	5.6
105.07034	3.2
107.08598	25.9
109.02869	2.1
109.10167	7.1
110.49713	0.7
111.08074	8.4
111.08788	1.1
113.09624	1.9
119.08556	1.0
121.10147	48.7
122.10498	1.1
123.11700	1.9
125.09644	6.3
127.03916	5.3
133.10185	1.1
135.08147	0.9
135.11687	8.4
137.05997	1.1
137.13232	5.7
145.04973	2.7
147.04422	1.5
149.13258	3.1
177.05569	1.2
177.16396	100.0
178.16809	1.3
191.55321	0.8
195.17465	20.7
213.18504	58.6
227.12082	0.8
231.04987	2.0
273.49429	1.0
280.14221	0.8
281.10254	1.1
282.10526	1.7
306.01758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40567	1.3
53.03944	2.4
55.01862	3.5
55.05506	7.0
57.03445	1.4
57.07075	1.9
59.04977	1.5
67.05508	4.8
68.99768	2.0
69.03424	9.2
69.07072	11.9
71.04991	3.8
71.59431	1.9
71.81532	1.4
79.05491	6.3
81.03418	6.6
81.07054	14.3
83.04974	2.0
83.08623	7.9
85.02908	15.1
85.06524	2.5
85.87964	1.3
86.09712	5.8
87.00831	6.2
91.05477	2.9
93.07041	11.3
95.08600	25.9
97.02889	6.2
97.10173	5.0
99.04475	3.6
99.08091	27.2
105.01850	6.1
105.07037	3.7
107.04948	2.0
107.08590	27.1
109.02873	7.4
109.10166	7.2
110.35107	1.1
111.04426	2.6
111.08076	6.1
113.09666	1.6
120.97945	1.3
121.10143	43.4
125.09641	4.9
127.03934	14.7
129.01846	1.7
133.10132	1.9
135.11707	11.2
137.05980	1.5
137.13269	4.9
139.11183	2.2
145.04936	3.7
149.13286	4.0
163.03922	1.9
165.41957	1.2
166.68748	1.6
167.07031	3.0
177.16388	100.0
178.16739	1.7
189.03940	2.5
191.15141	1.2
195.17450	22.2
213.18489	65.8
214.19075	1.4
231.04985	1.7
279.10629	1.3
393.14056	2.0
458.58591	1.3
461.09787	2.1
461.21710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47771	0.8
50.52592	0.8
51.68553	0.8
55.05512	7.8
56.81718	0.8
57.98444	1.0
67.35195	0.8
69.03421	2.2
71.29526	1.4
71.29881	1.2
72.08155	100.0
85.02895	5.3
86.32047	0.8
97.02900	2.4
107.68946	0.8
116.89144	0.9
118.08656	86.3
127.03950	3.4
145.05009	2.0
182.20308	0.8
191.03989	1.6
200.04541	1.6
213.47888	1.0
272.06668	1.6
281.07162	5.3
359.15646	0.9
362.09653	1.5
437.46066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06929	23.4
57.98248	20.7
63.11794	20.2
67.05505	57.2
69.66395	79.4
69.66830	99.4
79.05506	45.1
81.07043	35.8
85.02926	23.6
91.05479	26.8
93.07039	31.0
95.08595	26.5
105.07043	32.1
107.08600	29.4
107.57408	19.6
109.10152	30.1
119.08578	45.8
133.10178	31.1
154.94179	36.3
156.59579	26.6
159.11708	25.5
159.27689	26.4
172.95239	61.0
179.22520	25.8
190.10362	24.3
190.96275	28.1
211.40428	24.2
213.52382	22.2
228.97871	38.2
281.10672	31.8
371.72702	23.2
378.01974	25.0
473.19583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
54.25074	1.5
55.01871	4.4
55.05514	3.8
56.05059	1.7
56.96569	2.8
57.02511	1.7
57.03430	6.1
67.05499	8.4
69.03429	11.6
69.07063	4.3
70.06599	9.4
71.01349	3.1
71.04988	5.1
71.59122	2.6
72.08150	3.9
73.02915	6.5
75.04509	1.9
79.05492	14.9
81.03418	4.9
81.07056	11.7
82.03721	1.9
83.05006	2.4
84.04527	2.9
84.08184	1.7
85.02902	28.9
85.03374	2.6
85.06551	2.7
86.09710	12.3
87.04469	3.7
91.05476	31.5
93.07046	18.6
95.01320	12.9
95.04977	3.6
95.08614	9.9
95.09148	2.0
97.02871	8.7
97.06534	8.2
98.15805	1.4
98.97579	2.2
99.00825	1.5
99.04482	3.4
101.02415	2.3
103.03995	2.2
103.05482	2.1
105.01878	2.3
105.07026	30.3
107.08599	10.9
109.02909	3.4
109.06551	3.7
109.10159	5.0
111.08096	1.6
113.02400	4.0
113.06000	2.5
115.03939	6.0
115.05402	1.8
116.98638	3.2
117.03455	1.8
117.07022	7.5
119.08583	81.9
121.06530	1.8
121.10175	7.9
123.08063	8.2
127.03925	9.9
128.04248	3.5
129.07022	3.7
131.03407	2.4
131.04918	2.3
131.08597	4.6
133.04974	3.8
133.06445	2.8
133.10152	5.4
135.08041	16.3
135.11713	5.6
137.05956	3.2
137.09622	20.2
141.01826	19.1
145.02917	1.8
145.04968	3.6
145.06512	1.8
145.10127	2.7
147.04382	9.0
147.08029	4.4
147.11690	81.1
149.09625	3.3
149.13208	1.6
155.37996	1.6
157.10155	4.0
159.02882	3.9
163.04063	1.8
163.07553	2.2
163.11234	2.3
165.12759	38.3
167.06966	1.9
175.11185	48.2
177.05466	6.8
178.05769	3.8
193.12248	100.0
195.06503	2.5
196.06956	2.3
201.12387	2.4
211.13336	3.8
229.15417	3.9
238.61781	1.6
249.14848	5.8
251.09326	2.6
267.15918	64.7
285.16998	25.3
303.84174	2.3
350.17545	1.9
351.14227	1.9
407.16864	3.6
425.18173	3.3
443.19055	6.3
461.20013	11.8
463.15051	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.7
55.01873	8.0
55.05513	2.1
56.05029	2.4
57.03437	5.4
60.04516	1.7
61.02920	5.8
67.05500	2.2
68.99790	2.7
69.03429	26.4
70.06599	1.4
71.04993	4.8
71.58288	1.2
73.02911	7.0
74.02447	1.0
79.05502	3.5
80.05833	1.2
81.03416	28.4
81.07057	3.1
83.01318	1.1
83.04980	2.2
84.04507	1.1
85.02904	71.2
86.09719	1.1
87.00828	25.8
87.88921	1.0
91.03314	1.0
91.03949	2.5
91.05489	3.6
93.07049	4.0
95.04973	1.9
95.08593	1.7
97.02886	27.0
97.06507	1.4
99.04464	12.1
102.05539	1.1
105.01867	24.7
105.02565	1.6
105.07052	5.2
107.04953	30.6
107.08629	2.0
108.04488	7.2
109.02879	29.8
110.03178	1.3
111.04485	1.3
115.03918	1.7
115.05453	2.6
116.19353	0.9
117.01865	2.9
117.07050	1.6
119.08571	1.9
120.05856	1.1
120.08098	2.4
121.06526	1.3
125.09629	1.1
126.05524	4.0
126.78803	1.0
127.03915	55.2
128.04263	1.5
129.01843	3.9
133.06505	1.5
133.10139	2.4
135.08023	9.0
137.87068	1.0
145.04948	22.8
147.02916	2.0
147.07889	1.0
159.02896	15.1
159.11725	2.1
163.03926	3.6
163.07538	37.2
165.09093	1.2
166.05370	2.2
167.07034	13.1
171.02811	1.3
175.07602	1.5
177.04091	1.3
180.07846	1.9
181.05002	1.3
187.07558	1.9
189.03958	3.7
195.10168	100.0
205.08763	1.4
207.10161	4.0
212.05475	1.2
213.03923	2.9
219.10127	1.8
221.11821	1.2
230.06660	3.3
231.04953	9.6
237.11125	1.3
248.07687	6.5
266.08905	2.2
278.94077	1.0
285.11279	1.3
303.12265	2.2
315.05005	3.2
321.13513	1.0
378.26385	1.4
386.23938	1.3
403.22186	0.9
409.23239	1.0
450.60080	1.1
460.10278	2.1
460.32993	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.4
69.03438	3.3
69.07069	3.2
69.35555	3.1
69.35972	13.9
78.95250	1.5
79.05510	1.9
81.07053	3.8
85.06545	100.0
93.07043	2.1
95.08621	6.0
97.10188	1.9
107.08595	5.7
109.10171	4.4
111.08073	15.4
117.29919	1.5
119.08569	3.7
121.10162	3.8
123.11724	1.8
125.09633	2.8
135.11745	2.5
137.13229	4.4
147.11661	2.8
149.13281	3.4
161.13304	1.6
189.16609	1.9
193.16013	1.9
205.19463	3.9
212.12904	1.5
293.92105	1.8
333.27917	1.8
364.97925	1.9
423.36157	2.3
454.44885	1.7
459.38062	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	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.7
52.10313	0.4
53.03945	5.9
54.60061	0.4
55.01870	7.6
55.05519	0.8
57.03431	4.6
59.04489	0.5
60.04523	3.2
61.02925	5.2
65.03934	0.6
65.04676	0.5
67.05502	1.2
68.99781	2.5
69.03431	25.0
70.79932	0.9
70.80300	1.1
71.01359	0.5
71.04998	4.0
73.02922	6.6
79.05487	1.2
80.05013	0.8
81.03418	23.1
81.07064	1.8
82.06590	0.4
83.01344	0.6
83.04977	0.6
85.02905	67.0
85.06538	2.4
86.06863	0.7
87.00827	25.6
87.04479	0.9
91.03946	1.6
91.05473	1.6
93.07054	1.3
94.06547	1.0
95.04951	0.9
95.08610	1.8
97.02892	26.5
98.06050	0.6
99.04451	11.8
101.02406	0.7
103.03902	0.6
103.05467	4.5
105.01863	26.5
105.07004	2.3
107.04951	6.9
108.03781	0.9
108.04478	8.6
109.02882	27.5
111.04425	0.6
115.03943	1.4
115.05464	0.9
117.01849	2.6
117.07011	0.7
121.06516	1.5
121.10145	0.6
126.05498	3.7
126.09081	0.5
127.03915	52.0
129.01851	3.4
131.04898	1.4
133.06508	0.9
135.08037	5.3
138.09123	1.3
139.03886	3.2
145.04959	25.4
147.02866	2.5
148.05171	0.5
154.06247	24.9
156.10191	0.5
159.02893	16.5
160.67822	0.5
163.07538	21.6
167.07039	1.6
177.03954	0.9
178.27452	0.6
180.07764	1.5
189.03926	0.9
193.08530	0.5
195.10168	100.0
196.10455	1.0
200.12793	2.3
207.10036	0.6
209.73459	0.5
213.04001	3.4
230.06590	3.2
231.04991	13.0
235.62874	0.5
248.07661	7.9
249.06078	1.8
266.08783	2.9
285.11237	0.9
298.20053	1.0
303.12308	1.6
362.17853	0.7
406.29263	0.8
424.30396	1.1
442.31393	1.9
460.27661	1.1
460.32507	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02792	0.3
52.21736	0.3
53.03935	0.7
55.01868	0.6
55.05494	1.1
57.07069	0.4
65.03924	0.9
67.05497	1.9
69.03410	0.8
69.07045	1.0
69.43154	0.3
71.04974	0.5
71.59798	0.5
71.60236	0.4
79.05500	1.6
80.44726	0.4
81.03405	2.5
81.07047	2.7
83.04974	0.8
83.08612	1.0
85.10196	0.5
91.05474	12.9
93.07032	2.2
95.04946	0.8
95.08591	2.0
97.02887	0.5
97.06507	0.8
97.10146	0.8
99.08083	0.4
103.05482	0.4
105.07030	2.2
107.04938	0.8
107.08579	2.5
109.02858	3.1
109.06511	0.7
109.10127	1.4
111.04424	0.9
111.08084	0.5
117.07002	0.5
119.04935	23.6
119.08579	2.5
121.06559	0.4
121.10142	1.2
123.04428	0.5
123.05534	1.5
125.09615	0.5
127.02969	0.4
127.03906	6.6
129.06976	1.1
131.08546	0.9
133.06474	1.1
133.10110	1.3
135.08022	1.2
143.08525	0.7
145.10146	0.7
147.04402	100.0
147.11690	0.6
148.04770	0.3
149.09601	0.4
149.13222	0.5
151.11148	0.7
157.10112	0.7
159.11693	0.7
161.09592	1.0
161.13197	0.6
163.03946	0.7
163.11143	0.5
165.09128	0.8
165.12801	0.4
171.11731	0.4
173.09610	0.4
175.11192	0.8
185.09663	0.3
189.09117	0.5
189.11205	0.5
195.11575	0.4
199.11130	0.4
207.10149	0.5
217.12263	0.5
252.77274	0.4
255.09804	1.9
255.17572	0.5
277.21689	1.7
295.22662	1.4
297.18344	0.5
315.19473	1.0
422.33591	0.4
459.27808	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01869	5.0
55.05508	10.3
57.02522	1.9
57.03429	2.8
57.07087	2.2
61.78131	2.1
65.03941	4.0
67.05499	17.2
69.03425	8.1
69.07063	7.1
71.05019	4.4
71.59599	2.9
78.69379	1.9
79.05505	15.6
81.03414	30.3
81.07054	17.8
83.01340	2.5
83.04997	6.0
83.08622	5.0
85.02903	3.7
91.05500	18.7
93.07048	22.7
95.04985	9.2
95.08604	19.0
97.02901	12.8
97.06540	2.9
97.10143	2.6
99.04468	6.1
103.05460	2.1
105.07031	28.6
107.04971	7.9
107.08592	27.1
109.02879	49.9
109.06518	7.6
109.10146	16.6
109.88730	2.4
111.04421	14.7
112.99973	4.6
117.06997	10.5
119.08578	27.6
121.06509	5.9
121.10153	14.4
123.04450	11.5
123.08018	5.2
123.11658	3.6
123.54794	2.2
125.06049	2.7
127.03918	100.0
128.04269	2.8
128.06242	4.2
129.07025	6.4
131.08530	11.8
133.06456	11.9
133.10144	21.0
135.08043	13.6
135.11708	5.0
137.09654	3.5
142.07800	2.6
143.08580	10.8
145.06479	4.4
145.10097	11.0
147.08035	12.3
147.11678	4.9
149.05925	2.5
149.09618	8.2
151.07550	5.2
151.11191	3.3
155.08565	6.3
157.10167	10.0
159.08047	3.4
159.11765	5.8
161.09612	15.2
161.13307	3.4
163.11218	4.6
165.09167	9.9
167.06990	2.3
169.10126	6.6
171.08098	5.1
171.11687	6.5
173.09636	4.0
175.11230	4.9
175.14838	2.2
179.10675	6.2
181.10124	3.1
183.11694	4.6
185.09631	7.8
185.13309	4.0
187.11253	3.5
187.14867	3.1
189.09067	5.2
195.07945	2.7
195.11676	2.5
197.13330	2.9
199.11157	8.8
199.14853	3.2
201.12894	2.1
203.10603	3.6
203.14209	4.9
207.10187	6.5
209.13295	2.4
213.12820	3.0
215.10712	2.7
215.14241	3.7
217.12227	9.7
223.10982	2.2
225.09323	2.3
225.11130	11.1
225.16325	2.3
231.13730	2.5
251.17755	2.9
273.18500	7.3
283.17035	2.6
291.19510	2.9
297.18372	4.9
301.18295	2.2
315.19504	12.7
347.22247	6.2
369.20535	3.8
385.23654	3.1
405.20496	4.7
410.72821	2.2
423.16531	2.4
423.21671	5.3
441.22305	8.1
459.17310	2.5
459.23080	8.5
459.28314	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	459.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43858	1.4
53.03947	8.2
53.15625	1.4
53.41835	1.6
54.47507	1.6
55.01865	3.3
55.05500	5.3
57.03418	2.6
67.05498	8.0
69.03429	7.3
69.07062	4.7
71.04976	4.6
79.05499	9.3
81.03420	37.9
81.07068	7.8
83.04976	6.0
83.08624	3.4
85.02908	2.0
91.05477	11.0
93.07040	9.3
95.04965	6.8
95.08611	12.0
97.02886	7.5
97.06522	3.4
99.04478	3.7
105.07038	18.2
107.04954	4.9
107.08600	18.6
109.02882	65.1
109.06493	3.5
109.10156	11.1
110.03207	1.9
111.04443	18.2
111.08076	1.7
117.06998	4.9
119.08582	21.0
121.06500	4.2
121.10166	9.2
123.04398	4.8
123.08055	5.5
123.11739	2.2
125.05992	1.8
125.09666	1.9
127.03923	100.0
129.06982	4.5
131.08539	6.6
133.06494	17.5
133.10127	12.7
135.08051	11.3
135.11739	3.1
137.09662	3.2
139.07497	1.9
141.07001	2.3
142.07727	3.0
143.08569	4.4
145.04886	2.4
145.06477	4.5
145.10132	8.1
147.08067	8.4
147.11678	3.6
149.09610	5.7
155.08543	3.0
157.10115	7.9
159.07985	1.5
159.11694	5.5
161.09700	8.7
163.11162	4.0
165.09111	7.4
169.10130	5.4
171.08051	2.9
171.11658	5.2
173.09642	4.1
173.13287	2.3
175.07379	1.7
175.11244	2.8
179.07161	1.4
179.10608	3.9
181.10179	2.0
183.11731	3.9
185.09586	5.3
185.13248	3.3
187.11185	3.7
187.14853	1.6
189.09099	5.2
193.12230	4.5
195.11734	3.1
197.09647	2.2
197.13278	3.3
199.11221	5.5
199.14819	2.1
201.09200	1.7
201.12747	1.9
203.10773	1.8
203.14337	4.4
207.10110	7.4
209.13272	1.9
211.11205	2.1
213.12788	1.9
217.12212	4.2
219.13864	1.7
225.11153	6.9
251.17888	2.9
255.17285	2.6
269.18927	2.5
273.14905	2.7
279.17694	1.7
287.20154	2.4
295.16824	1.7
297.18387	7.0
309.18457	1.8
313.18030	3.1
315.19580	11.4
344.16257	1.7
367.22577	3.6
369.20520	2.4
385.23599	3.8
387.18561	1.6
393.20352	1.7
405.20612	2.1
411.21689	1.4
423.21567	5.2
441.22531	7.0
459.27408	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	459.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92293	1.8
53.03946	8.9
55.01875	3.6
55.05503	5.2
56.97368	1.5
65.65061	1.6
67.05511	9.5
69.03425	9.7
69.07053	5.8
70.04669	2.4
70.05089	6.1
71.04987	5.4
79.05514	8.6
81.03416	32.6
81.07050	11.2
83.01327	2.7
83.04977	6.1
83.08626	2.3
85.02908	3.2
88.48198	1.4
91.05478	15.9
93.07059	14.4
95.04953	5.4
95.08617	16.0
97.02895	11.9
97.06526	5.7
99.04458	4.9
103.05455	2.6
105.07034	24.6
107.04964	4.8
107.08604	21.2
109.02884	81.5
109.06520	5.0
109.10162	12.4
110.03182	10.7
111.03300	2.3
111.03652	1.9
111.04433	21.2
111.08059	3.0
113.02376	1.5
115.05511	2.0
117.07026	5.8
119.08585	25.4
121.06506	5.2
121.10147	9.8
123.04435	4.7
123.08047	4.1
123.11683	3.4
125.09614	2.2
127.03918	100.0
129.06995	4.9
131.08589	8.3
133.06497	18.2
133.10155	16.5
135.08043	12.8
135.11700	7.2
136.19409	1.5
137.05946	4.9
137.09645	3.0
142.07709	2.5
143.08569	6.3
145.06546	4.0
145.10118	10.3
147.08054	11.5
147.11700	4.8
149.09631	6.6
151.11115	1.9
155.08565	2.7
157.06674	1.8
157.10179	9.9
159.08018	3.0
159.11710	9.0
161.09605	8.1
163.07489	1.9
163.11183	4.0
165.09157	10.7
165.74725	1.9
169.10110	4.3
170.10910	2.0
171.08066	3.9
171.11702	8.8
173.09685	5.1
173.13306	4.3
175.07561	2.3
175.11179	3.5
175.14850	3.4
179.10696	2.9
181.10143	3.6
183.11731	4.7
185.09595	4.1
185.13179	3.3
187.11214	3.7
187.14767	2.8
189.09109	5.9
191.10709	2.0
195.11678	4.7
197.13315	2.5
199.11189	6.3
199.14857	2.9
201.12726	2.3
203.10725	3.3
203.14348	5.4
205.12270	1.9
207.10190	6.1
209.13231	3.8
211.11375	2.3
211.14847	2.6
213.12723	4.7
215.10539	2.2
217.12233	5.9
225.11156	9.7
251.18025	2.9
269.18814	2.4
279.17218	1.9
287.16217	2.5
287.19968	2.4
295.17001	2.3
297.18472	6.1
313.17908	3.6
315.19571	15.8
327.19543	1.6
349.21558	1.6
357.20755	2.0
366.98825	1.7
369.20480	3.9
385.23688	1.6
395.22180	2.2
401.59106	1.7
405.20758	3.6
411.21469	3.0
423.21512	6.5
441.22653	10.8
459.22809	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	459.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28649	1.1
53.03951	9.1
55.01862	3.5
55.05514	8.8
57.03429	1.6
57.07066	1.6
65.03920	3.4
67.01852	1.6
67.05500	12.9
69.03428	8.0
69.07069	5.4
69.42556	3.0
69.42967	6.7
71.01363	1.3
71.04977	5.5
79.05489	13.1
81.03418	39.7
81.07053	14.6
82.03746	2.9
82.07381	1.2
83.01334	2.8
83.04990	5.5
83.08613	4.4
85.02922	3.4
85.06541	2.3
91.05470	14.8
93.07036	17.6
95.04959	6.7
95.08604	20.2
96.08923	1.5
97.02885	11.6
97.06517	4.3
97.10171	2.4
99.04442	4.7
105.07028	25.7
107.04961	5.3
107.08594	26.6
107.28161	1.2
108.08890	1.8
109.02876	91.4
109.06524	5.2
109.10152	17.2
110.03189	11.9
111.03387	3.3
111.04438	21.8
111.08070	3.2
113.02332	1.5
115.03971	1.5
115.05512	1.5
117.07024	3.5
119.04922	1.1
119.08573	27.0
120.08882	2.6
121.06506	7.6
121.10128	13.4
122.10457	2.9
123.04453	6.3
123.08038	6.0
123.11718	4.1
125.05975	1.7
125.09632	2.8
127.03915	100.0
128.04305	1.9
128.06281	1.9
129.06999	4.7
131.07878	1.0
131.08600	10.1
132.08900	1.5
133.06479	17.7
133.10121	15.0
134.10451	2.0
135.08063	10.3
135.11688	4.3
137.05966	2.9
137.09627	2.9
141.07021	2.5
142.07805	1.7
143.07637	1.2
143.08571	7.3
144.09306	1.2
145.04950	2.3
145.06505	4.9
145.10120	12.4
147.08031	9.0
147.11714	5.1
149.09618	6.2
149.13266	2.5
151.07506	2.2
153.05429	3.3
155.08606	3.4
156.09341	1.9
157.06456	1.6
157.10133	10.3
159.08070	3.1
159.11658	7.5
160.12114	1.2
161.05971	1.7
161.09637	8.6
161.13351	1.8
163.07587	1.3
163.11185	4.3
163.14885	1.7
164.15149	1.7
165.09134	8.1
167.07033	1.2
167.08510	1.5
169.10106	2.9
170.10951	1.5
171.08060	2.2
171.11690	6.6
173.09633	5.0
173.13260	3.9
174.13655	1.3
175.07390	2.2
175.11165	4.3
177.09163	1.7
178.16721	1.3
179.10652	5.7
181.10123	2.7
182.11043	1.2
183.11700	3.2
185.09630	5.2
185.13210	2.3
187.11182	4.2
187.14835	4.7
188.15105	2.3
189.09135	6.4
189.12793	2.7
189.16415	2.5
190.16696	3.3
191.10692	2.6
193.12251	2.5
195.11703	3.1
197.13281	3.7
199.11134	5.9
199.14828	2.1
201.09186	1.6
201.12886	1.8
201.16461	1.3
202.16750	1.7
203.10609	2.2
203.14365	4.0
203.17990	2.9
204.18257	2.5
205.18607	1.5
207.10080	5.7
209.13219	1.9
211.11154	2.2
211.14819	1.3
213.12798	2.1
215.10648	2.9
215.52315	1.2
217.12242	6.0
219.13826	1.4
223.11215	1.6
225.11119	8.5
225.13036	1.2
227.10651	1.6
237.12794	2.2
245.08064	3.1
251.18018	2.4
255.13747	1.5
255.17479	2.0
259.13361	1.7
269.15445	1.3
269.19012	2.6
273.14984	2.7
274.13712	1.3
287.20093	2.8
295.16895	1.5
297.18439	7.5
313.18039	2.1
315.19510	13.1
333.13660	1.5
349.21649	1.4
357.20251	2.2
367.22504	5.7
369.20505	2.1
385.23691	6.2
393.20340	1.7
395.32404	2.3
405.20654	2.4
413.33237	3.4
423.21683	5.5
441.22501	7.8
459.22693	5.6
459.27356	15.7
459.33841	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	459.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.8
54.41808	1.3
55.01861	3.8
55.05496	4.3
57.03429	1.8
57.07084	1.4
57.56820	1.3
58.12048	1.3
59.93543	1.3
67.05496	10.0
69.03432	10.6
69.07053	4.8
71.04987	3.2
71.59211	2.1
79.05486	12.2
81.03422	27.0
81.07072	12.3
83.01337	3.2
83.04991	6.6
85.02908	3.1
91.05479	15.1
93.07054	17.4
94.15697	1.4
95.04967	4.6
95.08604	15.4
97.02895	9.7
97.06525	4.9
98.10598	1.7
99.04453	4.6
103.05450	2.7
105.07033	22.8
107.04948	3.3
107.08599	24.3
107.71381	1.2
109.02884	45.2
109.06509	4.3
109.10165	13.1
111.04440	16.1
111.08061	1.8
113.06004	1.4
115.05451	2.5
117.07003	6.8
119.04976	1.5
119.08583	25.2
121.06490	7.0
121.10134	10.5
123.04417	6.7
123.08074	6.0
123.11700	2.9
125.06002	2.5
127.03918	100.0
128.06233	2.5
129.06985	5.0
131.04971	6.8
131.08594	8.8
133.06505	13.2
133.10123	15.6
135.04430	1.5
135.08069	13.5
135.11725	3.8
137.05998	2.3
137.09587	3.0
139.07520	1.4
141.07028	2.1
142.07756	2.9
143.08557	7.5
145.04935	1.6
145.06493	2.1
145.10118	10.4
147.08078	8.3
147.11682	6.3
149.06012	2.1
149.09618	7.1
151.07483	1.8
155.08536	3.4
156.09288	1.7
157.10110	9.4
159.07999	2.7
159.11685	6.5
161.05968	1.8
161.09622	13.1
161.13232	3.3
163.03888	5.3
163.07495	3.0
163.11174	4.3
164.04245	1.7
165.09126	13.2
167.08504	1.7
169.10144	4.7
171.08032	3.8
171.11638	6.4
173.09668	4.0
173.13260	4.3
175.07587	2.2
175.11154	2.3
179.10683	3.8
181.10083	3.4
183.11707	2.5
185.09621	5.0
185.13254	3.1
187.11206	5.5
189.09123	7.5
189.12804	2.3
193.08586	1.5
195.11606	2.6
197.09602	2.7
197.13297	2.8
199.11169	6.2
199.14806	1.8
201.12581	1.4
203.10664	3.1
203.14362	4.2
205.12202	2.1
207.10170	5.7
211.11304	2.0
211.14813	2.4
213.12732	2.3
215.10757	2.2
217.12285	7.2
225.11168	9.4
231.13716	1.6
243.10255	1.9
245.08018	2.1
255.13979	1.5
255.17216	1.6
269.15302	2.7
279.17416	2.3
295.16946	2.1
297.18436	6.9
301.17914	2.1
315.19510	13.6
324.22882	1.7
351.19580	1.5
369.20673	3.4
376.33075	1.6
405.20779	4.4
411.21768	1.9
423.21500	7.8
441.22589	11.2
459.23151	10.1
459.34134	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14763	1.1
50.54868	1.2
52.00578	1.0
53.03946	7.9
55.01862	3.1
55.05511	6.0
57.07053	1.3
65.03941	1.8
67.05501	12.3
69.03434	9.5
69.07066	4.3
71.04985	4.6
78.17215	1.0
79.05505	9.0
81.03420	30.8
81.07080	6.3
82.03738	3.6
83.01316	1.1
83.04993	7.6
83.08601	2.4
85.02918	2.5
88.07240	1.0
91.05483	9.0
93.07039	15.3
95.04951	3.9
95.08150	1.4
95.08622	14.8
97.02892	10.3
97.06552	6.2
97.10135	1.2
99.04475	2.9
103.05455	1.2
105.07040	19.3
107.04936	4.1
107.08598	19.5
109.02885	73.4
109.06508	4.5
109.10151	12.0
110.03185	9.1
111.03320	2.1
111.04443	27.4
111.08134	1.4
113.02362	1.1
115.03994	1.2
117.06999	5.2
119.04931	1.6
119.08583	22.2
121.06531	5.7
121.10162	10.5
123.04427	5.6
123.08049	4.8
123.11714	4.5
123.41626	1.3
125.06009	2.9
125.09622	2.4
127.03921	100.0
128.04248	1.5
128.06175	1.9
129.06996	2.3
131.08589	6.9
133.06505	16.4
133.10139	13.8
135.08070	11.5
135.11667	3.5
136.39301	1.1
137.05974	2.4
137.09621	2.9
140.30779	1.0
141.06992	1.7
142.07762	3.3
143.08580	6.8
145.04944	2.4
145.06508	1.7
145.10127	9.9
147.08034	9.3
147.11682	2.0
149.09628	5.1
151.07448	1.9
151.11194	1.4
155.08557	3.9
156.09314	3.0
157.06512	1.2
157.10127	8.1
159.08064	3.3
159.11711	7.1
161.09608	8.4
161.13251	1.4
163.11201	4.4
165.09113	8.8
167.07208	1.1
167.08572	1.7
167.60555	1.3
169.10114	3.8
170.10954	1.4
171.08014	3.1
171.11673	6.9
173.09599	4.4
173.13266	3.6
175.07600	1.8
175.11186	2.1
177.08884	1.0
177.12689	1.5
179.08546	1.7
179.10675	4.5
180.09320	1.8
181.10051	1.5
183.11710	2.7
185.09644	5.5
185.13248	3.3
187.11165	3.1
187.14844	2.7
189.09079	5.0
191.10753	1.9
194.60519	1.3
195.11699	2.2
197.09654	2.6
197.13290	2.5
199.11160	4.7
199.14771	2.9
201.09085	2.1
201.12708	2.0
203.10658	2.2
203.14336	6.4
205.12184	1.5
207.10124	6.4
209.13226	2.3
211.11151	1.7
211.14824	1.7
213.09209	1.3
213.12828	2.5
215.10764	2.1
217.12274	7.3
219.13872	1.9
223.11159	1.7
225.11157	7.3
225.16283	2.1
227.14233	1.7
227.18025	1.7
231.13853	1.3
237.16368	1.9
241.12254	1.3
243.10069	1.6
251.17902	2.7
253.15977	1.7
255.13676	1.5
255.17381	3.5
259.13248	2.2
269.15320	1.4
269.19067	2.8
279.17401	2.1
283.16830	1.5
287.19901	2.9
295.17081	1.6
297.18506	6.9
301.17932	1.3
313.17953	3.3
315.19583	16.6
327.19122	1.5
331.19000	3.4
333.20621	1.3
353.39151	1.1
369.20706	3.4
393.20496	1.4
395.22308	1.5
398.67801	1.2
405.20654	3.2
411.21527	2.1
423.21570	6.4
441.22650	10.4
459.23358	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	459.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64457	1.5
53.03945	7.2
55.01858	2.3
55.05507	4.0
56.41402	1.8
67.05489	5.9
69.03413	7.2
69.07050	3.0
69.50680	15.0
69.51014	3.1
71.04985	4.5
79.05490	5.7
81.03421	25.6
81.07053	6.7
83.04974	5.9
85.02904	2.2
91.05474	9.6
93.07051	14.3
95.04970	3.4
95.08617	10.2
97.02901	9.4
97.06509	4.5
98.20744	2.9
99.04460	5.6
105.07028	19.8
107.04932	2.6
107.08602	20.6
109.02876	52.6
109.06532	3.5
109.10159	11.9
111.04449	17.0
117.07019	2.8
118.44677	1.7
119.08592	22.9
120.84010	1.7
121.06502	5.1
121.10133	9.0
123.04420	6.6
123.08036	3.7
123.11671	2.3
127.03922	100.0
128.04245	1.8
129.07071	3.0
131.08543	7.2
133.06493	15.2
133.10146	14.9
135.08051	11.1
135.11656	2.5
137.09590	2.9
142.07787	4.8
142.09462	1.5
143.08546	5.5
145.04839	1.8
145.06476	1.9
145.10132	9.3
147.08025	9.3
147.11670	3.4
149.09596	4.2
157.10124	6.9
159.11705	6.5
161.09605	10.8
161.13272	1.9
163.11205	3.5
165.09122	6.9
169.10112	4.6
171.08058	2.8
171.11688	4.7
173.09604	4.8
173.13266	2.7
175.11232	3.9
179.10683	2.6
182.60701	1.8
183.11694	2.2
185.09631	6.9
185.13184	2.9
187.11194	3.2
189.09097	6.2
191.10695	2.0
195.11722	3.4
197.09645	2.2
199.11143	8.1
199.14839	2.6
203.10625	2.3
203.14326	5.0
207.10176	4.3
217.12265	6.2
223.14845	1.9
225.11133	10.5
225.16403	1.9
237.16373	1.9
253.19586	2.0
269.18826	2.6
279.17419	2.7
287.19995	2.8
297.18570	8.6
313.17929	2.6
315.19507	15.1
357.20419	2.0
369.20572	4.0
405.20642	2.6
411.21170	2.5
423.21539	6.8
441.22885	8.4
459.23782	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01868	2.2
55.05501	6.6
67.05490	7.4
69.03416	5.0
69.07066	3.4
69.98305	4.9
69.98720	4.9
71.04984	5.7
77.61047	2.0
79.05493	10.1
81.03408	24.6
81.07037	5.7
81.39254	1.8
83.01343	2.6
83.04962	7.5
91.05470	12.4
93.07046	12.7
95.04963	3.7
95.08597	16.5
97.02886	7.4
97.06524	4.4
98.20850	2.7
99.04435	4.7
105.07027	19.4
107.04982	3.8
107.08598	17.3
109.02875	46.4
109.03590	3.1
109.06499	4.1
109.10168	9.1
109.71425	1.7
110.91464	1.8
111.04425	22.7
117.06991	4.2
119.08570	20.3
121.06470	5.3
121.10140	8.3
123.04446	5.5
123.08037	2.9
123.11681	3.2
127.03912	100.0
129.06987	3.7
131.08577	7.0
133.06473	18.0
133.10156	10.7
135.08028	13.2
135.11687	4.1
143.08548	7.9
145.06474	2.0
145.10146	9.2
147.08054	9.7
147.11687	2.6
149.09555	4.4
155.08566	2.5
156.09325	3.2
157.10114	7.9
159.08029	3.8
159.11696	6.3
161.09641	7.2
161.13379	2.3
163.11208	3.3
165.09076	7.4
169.10153	4.5
171.08073	3.5
171.11684	7.1
172.12419	2.1
173.09570	3.7
173.13338	5.0
175.11160	3.5
179.10689	4.6
181.10118	2.9
183.11676	4.1
185.09666	6.4
185.13242	2.6
187.11156	3.1
189.09097	6.7
189.12689	2.7
195.11687	3.6
199.11177	6.9
203.10678	4.3
203.14317	7.5
207.10173	5.5
213.12704	2.3
217.12227	5.2
225.11159	9.6
271.04138	2.0
287.19891	2.9
297.18546	5.2
301.18262	2.7
315.19604	12.6
369.20621	2.7
405.20767	3.8
413.23026	2.2
423.21701	7.0
441.22598	12.5
459.23740	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
55.01871	3.5
55.05495	4.6
57.03428	2.4
59.04984	2.0
60.75739	1.5
67.05509	13.8
67.05807	2.9
68.99756	1.5
69.03427	7.1
69.07060	4.5
70.12824	4.6
70.13240	4.5
71.04986	3.9
77.03977	1.6
79.05505	10.0
81.03419	30.9
81.07062	12.5
83.01331	2.0
83.04550	1.8
83.04964	9.9
83.08625	3.4
85.02907	2.8
91.05477	14.6
93.07056	15.9
93.46172	1.7
95.04976	4.1
95.08595	21.1
97.02887	9.9
97.06525	7.0
97.10185	2.8
99.04438	4.6
105.07032	20.6
107.04951	4.4
107.08601	20.9
109.02881	48.2
109.06517	5.8
109.10150	14.5
111.04441	32.3
111.08074	2.7
113.02335	1.7
117.06995	6.6
119.04971	2.1
119.07780	2.9
119.08580	32.6
121.06486	5.5
121.10137	11.7
123.04423	5.5
123.08070	5.0
123.11705	3.4
125.05953	3.1
127.03913	100.0
129.07048	3.0
131.04933	2.0
131.08562	8.4
133.06487	16.1
133.10138	18.1
135.08061	13.3
135.11655	4.3
137.05959	2.5
137.09618	4.0
141.06915	2.5
142.07817	2.5
143.08562	7.8
145.06458	3.0
145.10120	12.0
147.08038	10.8
147.11722	3.7
149.09634	2.5
151.07474	2.3
155.08557	2.3
156.09332	2.9
157.10146	10.4
159.08061	5.0
159.11713	10.2
161.09625	11.7
161.13248	2.4
163.11179	4.3
165.09100	6.0
166.07797	2.3
169.10135	5.6
171.08064	1.9
171.11700	10.3
173.09621	4.8
173.13275	4.2
175.11201	3.5
179.10683	5.5
179.61768	2.2
181.10016	2.2
182.10794	1.7
183.11703	5.0
185.09605	7.8
185.13290	3.7
187.11226	4.8
187.14734	1.9
189.09117	6.0
191.10631	2.9
193.12303	3.1
195.11685	4.0
197.09616	2.7
197.13297	4.4
199.11174	9.3
199.14885	3.5
201.09274	2.5
201.12726	3.1
203.10686	2.7
203.14291	8.3
204.24536	1.7
207.10168	5.8
207.11868	2.3
209.13281	2.2
211.11209	3.1
211.14958	1.8
213.12758	3.7
217.12245	5.3
219.13763	2.0
223.14809	1.8
225.11218	7.8
225.16568	2.2
227.10701	1.9
231.13737	1.9
237.16176	2.0
243.10190	2.2
251.17827	2.1
255.13741	2.0
255.17462	1.9
259.13260	1.9
269.18906	3.7
273.14761	2.4
279.17447	2.7
287.16440	2.3
287.20035	2.8
295.16748	2.9
297.18530	10.0
304.45468	2.2
313.18024	3.3
315.19528	13.1
327.19485	2.4
331.19290	3.4
351.19562	2.0
367.22656	3.5
371.00223	1.8
385.23697	3.7
389.24478	1.8
405.20535	5.0
411.21506	2.5
423.21756	8.5
441.22534	11.8
459.23868	21.5
459.28333	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01863	1.9
55.05498	3.7
56.96547	1.5
57.03436	1.9
61.02915	0.8
67.05502	5.0
69.03443	6.7
69.07069	4.6
71.04971	1.5
71.47449	1.4
73.02895	1.1
79.05488	2.8
81.03410	5.7
81.07059	9.2
81.79308	0.7
83.04961	2.7
83.08617	3.1
83.35912	0.9
84.96078	1.0
85.02910	12.9
85.03385	1.5
85.06532	1.5
87.00827	3.9
91.05475	3.1
93.07048	7.3
95.04965	2.3
95.08611	13.1
97.02915	4.3
97.06535	2.3
97.10191	1.0
98.97609	5.0
99.04450	1.8
105.01854	3.5
105.07031	9.6
107.08597	10.1
109.02903	9.4
109.06537	4.0
109.10164	25.1
110.03239	1.1
111.04455	0.8
111.08080	11.6
115.05418	0.9
116.98627	2.8
117.07024	1.3
119.08584	14.3
121.06545	1.4
121.10150	8.3
123.08070	12.9
123.11733	4.6
125.09622	1.7
127.03928	10.7
128.98621	1.1
133.06474	1.2
133.10144	11.4
134.99588	0.9
135.11696	15.6
137.06020	0.8
137.09615	24.5
137.13254	1.8
138.10368	2.2
145.04936	2.3
145.10124	1.8
146.99631	1.0
147.11653	2.0
149.09605	0.9
149.13231	4.3
151.11229	1.5
151.14822	2.7
159.02919	1.0
161.09648	0.8
163.11172	1.0
165.09108	1.8
165.12755	3.5
165.16414	1.6
175.14838	22.3
177.00714	2.0
193.15891	21.7
195.10175	1.0
201.07954	1.9
211.16943	100.0
212.17308	1.8
219.01810	1.5
225.08009	2.0
237.02718	2.2
243.08971	2.1
253.19638	0.9
337.13647	1.0
343.78751	1.2
373.15353	10.1
391.16135	2.3
415.16354	3.7
416.37396	1.0
459.16422	9.9
460.28998	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01866	1.5
55.05515	8.6
57.03457	2.3
57.07080	1.8
57.65883	0.9
59.04990	1.6
65.03942	1.1
67.05505	16.4
69.03433	11.0
69.07069	11.9
69.40860	2.1
69.41264	7.5
71.04993	4.1
73.02921	1.9
79.05492	6.1
81.03432	7.1
81.07063	18.3
82.03667	1.1
83.04979	9.8
83.08625	6.6
83.18922	1.0
85.02908	11.9
85.06535	5.3
86.09680	1.8
87.00847	3.3
89.06042	2.1
91.05482	5.8
93.07054	10.3
95.04977	3.5
95.08613	28.8
97.02918	6.2
97.06552	2.4
97.10193	1.2
98.21594	1.0
98.97635	1.3
99.04465	3.1
99.08089	4.1
105.01882	3.4
105.07039	13.6
107.08601	18.0
109.02888	5.9
109.06523	10.1
109.10164	85.0
110.03215	1.3
110.10506	1.9
111.04462	1.3
111.08077	2.8
113.09625	1.9
117.06962	1.3
119.08587	30.9
121.06507	1.4
121.10159	14.5
122.10374	1.1
123.08087	11.6
123.11719	7.9
125.09649	1.6
127.03932	9.8
127.11163	1.2
131.08562	3.1
133.08635	2.0
133.10139	18.9
134.10516	1.8
135.08067	2.4
135.11702	77.8
135.86626	1.0
135.91864	1.0
136.12070	1.9
137.09619	16.0
139.11162	3.3
142.03209	1.1
145.04907	1.8
145.10092	5.4
147.11717	2.3
149.09604	1.3
149.13240	6.3
151.11183	8.1
151.14824	7.6
153.12767	2.7
161.09648	2.9
162.09943	1.8
163.11197	3.2
165.12852	2.1
165.16415	3.4
173.09608	2.0
174.13643	1.0
175.14841	34.4
176.15251	1.2
189.09091	1.1
190.28865	1.2
191.10683	4.5
193.15895	45.1
193.17679	2.2
194.16176	1.2
197.60017	0.9
207.10155	1.1
211.16945	100.0
212.17299	2.8
265.14240	2.3
285.53775	1.0
315.19589	1.3
459.22894	1.2
460.32913	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01868	1.5
55.05517	7.8
57.03440	4.2
57.07067	2.6
58.69474	0.8
59.04998	2.1
61.02924	1.5
67.05166	1.4
67.05502	15.7
68.19598	0.8
69.03425	9.2
69.07072	11.7
70.23885	3.9
71.01350	1.9
71.04988	3.8
72.92812	0.8
73.02909	2.5
77.03915	0.8
79.05488	6.2
81.03413	3.7
81.07063	19.0
83.04984	10.0
83.08629	4.7
85.02911	16.6
85.06545	14.4
87.00823	4.1
91.05483	5.0
93.07041	17.1
95.04941	1.5
95.08611	26.7
97.02920	4.1
97.06522	6.4
97.10168	1.9
99.00845	1.6
99.04455	4.4
99.08098	6.2
103.03941	1.7
103.05364	0.9
105.01865	2.7
105.07040	9.0
107.08597	29.3
109.02888	5.4
109.06538	7.7
109.10161	77.2
110.10435	1.8
111.04453	1.1
111.08060	3.8
111.11758	0.9
113.02408	1.6
113.09625	1.2
117.07034	1.1
119.08585	28.0
119.13651	0.9
121.06509	1.2
121.10143	17.0
121.17151	0.8
123.08076	9.8
123.11717	7.1
125.09632	1.9
127.03905	7.6
131.03407	1.1
131.08574	1.5
133.10135	16.1
135.08093	1.1
135.11697	73.8
137.09625	15.8
139.11209	2.1
141.01794	1.0
141.09099	1.2
145.04956	2.5
145.10098	4.1
147.11688	2.9
149.09634	1.3
149.13272	10.0
151.11217	7.2
151.14842	9.8
153.12718	2.6
155.10692	1.5
159.02922	1.7
159.11668	2.7
163.11198	6.6
165.09137	1.3
165.16388	1.8
167.07048	1.6
167.14159	1.1
173.09627	0.9
175.14836	34.1
176.15071	1.1
177.12770	8.9
177.80727	0.9
181.12231	1.1
191.10693	5.5
193.15892	43.0
195.13812	3.6
200.10341	0.9
209.11739	1.2
211.16937	100.0
212.17265	2.1
221.89671	0.9
244.42131	0.9
260.59732	0.8
261.92728	0.8
269.17358	1.9
283.15375	1.5
441.21326	1.3
459.18469	2.6
460.29126	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01875	1.2
55.05509	1.9
57.03412	0.8
57.07057	0.7
64.01174	0.6
67.05496	2.1
69.03423	3.8
69.07074	3.6
69.44311	1.3
69.44630	6.0
71.04986	2.4
73.02908	0.9
79.05467	2.4
81.03416	4.3
81.07058	11.1
83.04967	0.7
85.02905	9.2
85.06521	0.8
86.09718	1.1
87.00830	3.0
91.05500	3.8
93.07030	5.7
95.04948	1.1
95.08607	13.5
97.02889	3.6
99.04446	1.9
99.08107	3.1
105.01875	3.2
105.07025	11.5
107.08596	10.0
109.02868	4.3
109.06503	0.6
109.10144	1.5
111.08044	0.7
113.09634	1.1
117.06994	1.0
119.08585	39.7
120.08930	0.8
121.10130	2.1
123.04489	0.7
123.11684	2.6
127.03924	6.6
131.08571	1.4
133.10130	51.0
135.11685	12.3
145.04977	2.2
145.10065	1.0
147.11684	3.0
153.12759	1.9
159.02893	1.2
175.14825	100.0
176.15126	1.4
193.15877	9.8
201.65228	0.6
205.02313	0.7
211.09502	0.8
211.16933	5.2
217.15527	0.7
231.05113	0.8
251.10481	1.4
268.89209	0.7
311.09042	1.4
368.31177	0.7
385.94836	0.7
397.18192	0.7
415.09958	3.3
459.09073	14.0
459.18073	7.1
460.09149	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01865	2.6
55.05505	3.0
56.68016	0.6
57.03429	2.0
57.81893	0.8
58.99579	2.3
61.02917	0.7
65.03946	1.1
67.05495	5.4
68.05032	0.8
68.99790	1.3
69.03431	5.5
69.07056	2.9
71.04986	5.1
71.59529	1.5
73.02911	1.5
74.68528	0.6
76.03999	0.8
79.05479	5.0
80.05020	12.5
81.03423	10.4
81.07068	8.4
83.04971	3.5
83.08597	1.7
84.04513	1.6
85.02907	9.7
85.06548	1.7
86.06052	1.3
86.99069	1.4
87.00856	3.7
91.05498	6.0
93.07059	6.3
95.04964	2.1
95.08611	9.2
96.04479	1.1
97.02911	4.8
97.06535	2.3
99.02687	0.8
99.04477	4.3
105.01868	2.6
105.07042	6.8
107.04970	1.5
107.08604	5.1
108.04498	3.3
109.02886	18.4
109.06506	2.3
109.10154	3.2
110.03210	2.4
111.02651	0.8
111.04467	3.8
111.08098	1.4
113.05983	1.8
114.03760	12.2
116.01696	5.6
117.07030	1.2
119.08580	7.0
121.06545	1.7
121.10153	3.1
123.04464	0.8
123.08064	2.8
125.09608	1.0
127.03918	20.2
128.04276	0.9
131.08577	1.5
133.06505	2.1
133.10141	5.3
135.08060	2.7
135.11685	4.1
136.03940	2.2
137.05978	7.8
137.09676	1.7
137.13255	1.0
142.03226	100.0
143.03555	1.3
143.08560	1.5
144.01126	2.9
145.04996	3.3
145.10155	2.1
147.04422	1.1
147.08057	2.5
147.11693	1.4
149.09572	0.9
149.13261	1.2
151.07527	1.5
151.11238	0.8
153.05473	2.0
153.34491	0.7
157.10149	1.3
159.02910	2.2
159.11682	1.3
161.06059	1.4
161.09625	1.3
161.13266	4.8
162.02226	6.5
163.07552	1.3
163.11142	0.8
165.05460	1.4
165.09100	6.2
167.07034	0.7
169.04965	2.1
170.02713	32.1
171.03006	0.9
171.11734	0.9
173.09634	0.9
173.13304	1.1
175.07571	1.3
175.14825	1.6
177.09137	0.7
179.07045	1.1
179.10759	1.1
179.14340	2.7
185.13286	1.5
187.11116	1.1
189.09021	1.3
191.10657	1.0
193.06068	1.2
193.08630	6.6
193.15897	1.2
195.10127	0.9
197.08186	1.0
197.15323	3.5
199.05388	4.9
207.10124	1.4
211.09657	52.3
212.10027	2.9
212.75920	0.7
217.12267	1.6
225.11168	1.0
227.04880	6.2
235.09637	2.7
245.05923	45.3
253.10826	2.2
273.15262	2.5
277.10754	2.2
301.10858	1.5
315.19611	1.9
319.11676	1.3
333.20731	0.9
338.17834	5.3
356.18744	1.6
366.17380	1.6
376.17999	1.5
415.16391	0.9
441.21286	1.5
459.16159	3.1
459.22336	3.5
459.32028	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01865	2.6
55.05505	3.0
56.68016	0.6
57.03429	2.0
57.81893	0.8
58.99579	2.3
61.02917	0.7
65.03946	1.1
67.05495	5.4
68.05032	0.8
68.99790	1.3
69.03431	5.5
69.07056	2.9
71.04986	5.1
71.59529	1.5
73.02911	1.5
74.68528	0.6
76.03999	0.8
79.05479	5.0
80.05020	12.5
81.03423	10.4
81.07068	8.4
83.04971	3.5
83.08597	1.7
84.04513	1.6
85.02907	9.7
85.06548	1.7
86.06052	1.3
86.99069	1.4
87.00856	3.7
91.05498	6.0
93.07059	6.3
95.04964	2.1
95.08611	9.2
96.04479	1.1
97.02911	4.8
97.06535	2.3
99.02687	0.8
99.04477	4.3
105.01868	2.6
105.07042	6.8
107.04970	1.5
107.08604	5.1
108.04498	3.3
109.02886	18.4
109.06506	2.3
109.10154	3.2
110.03210	2.4
111.02651	0.8
111.04467	3.8
111.08098	1.4
113.05983	1.8
114.03760	12.2
116.01696	5.6
117.07030	1.2
119.08580	7.0
121.06545	1.7
121.10153	3.1
123.04464	0.8
123.08064	2.8
125.09608	1.0
127.03918	20.2
128.04276	0.9
131.08577	1.5
133.06505	2.1
133.10141	5.3
135.08060	2.7
135.11685	4.1
136.03940	2.2
137.05978	7.8
137.09676	1.7
137.13255	1.0
142.03226	100.0
143.03555	1.3
143.08560	1.5
144.01126	2.9
145.04996	3.3
145.10155	2.1
147.04422	1.1
147.08057	2.5
147.11693	1.4
149.09572	0.9
149.13261	1.2
151.07527	1.5
151.11238	0.8
153.05473	2.0
153.34491	0.7
157.10149	1.3
159.02910	2.2
159.11682	1.3
161.06059	1.4
161.09625	1.3
161.13266	4.8
162.02226	6.5
163.07552	1.3
163.11142	0.8
165.05460	1.4
165.09100	6.2
167.07034	0.7
169.04965	2.1
170.02713	32.1
171.03006	0.9
171.11734	0.9
173.09634	0.9
173.13304	1.1
175.07571	1.3
175.14825	1.6
177.09137	0.7
179.07045	1.1
179.10759	1.1
179.14340	2.7
185.13286	1.5
187.11116	1.1
189.09021	1.3
191.10657	1.0
193.06068	1.2
193.08630	6.6
193.15897	1.2
195.10127	0.9
197.08186	1.0
197.15323	3.5
199.05388	4.9
207.10124	1.4
211.09657	52.3
212.10027	2.9
212.75920	0.7
217.12267	1.6
225.11168	1.0
227.04880	6.2
235.09637	2.7
245.05923	45.3
253.10826	2.2
273.15262	2.5
277.10754	2.2
301.10858	1.5
315.19611	1.9
319.11676	1.3
333.20731	0.9
338.17834	5.3
356.18744	1.6
366.17380	1.6
376.17999	1.5
415.16391	0.9
441.21286	1.5
459.16159	3.1
459.22336	3.5
459.32028	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
54.72556	0.4
55.01862	0.8
55.05511	2.7
57.03425	0.7
58.99571	3.2
67.05505	4.8
68.05035	1.2
69.03413	2.6
69.07082	2.8
70.99828	1.3
71.04981	1.9
74.95585	0.4
76.03989	0.6
76.63974	0.4
79.05504	2.9
80.04561	0.7
80.05016	12.3
81.03419	6.2
81.07056	6.9
83.04977	1.9
83.08609	1.9
84.04514	1.3
85.02901	3.4
85.06530	1.4
86.06065	0.9
86.99047	1.3
87.00835	0.5
88.02225	0.7
91.05477	3.6
93.07037	4.9
95.04992	1.1
95.08608	8.6
96.04486	1.4
97.01157	0.5
97.02896	2.5
97.06538	2.2
97.10148	0.8
98.97626	0.6
99.04451	1.1
99.08078	0.5
100.11243	1.0
105.07023	5.4
107.04969	1.0
107.08610	3.9
108.04486	3.0
109.02882	11.1
109.06534	1.3
109.10145	2.6
110.03207	1.6
111.02644	0.8
111.03325	0.8
111.04451	3.1
111.08070	0.9
114.03753	12.2
115.05428	0.5
116.01672	6.4
117.07008	0.8
119.08581	5.9
121.06533	0.7
121.10150	1.9
123.04387	0.7
123.08076	1.4
123.11702	0.7
125.09606	1.0
127.03921	11.4
128.06230	0.6
131.04971	0.4
131.08546	1.8
133.06482	1.5
133.10150	4.5
135.08064	1.8
135.11679	2.5
136.03871	2.8
137.05983	1.3
137.09615	1.6
137.13260	0.7
141.05362	0.5
142.03221	100.0
143.03529	0.8
143.08585	1.1
144.01172	2.5
145.04973	1.0
145.06532	0.5
145.10114	1.8
147.08064	1.4
147.11696	0.8
149.09598	0.9
149.13297	0.6
151.07559	1.2
157.10123	1.0
159.11694	1.3
161.09636	0.8
161.13243	5.3
162.02205	6.5
163.07584	0.7
163.11237	1.2
165.09113	2.8
169.10181	0.8
170.02715	34.8
171.11629	0.8
173.13246	0.6
175.14851	0.8
177.12775	0.6
179.10692	0.8
179.14310	3.4
185.09618	1.0
185.13278	0.5
187.11041	0.7
188.03757	0.8
191.10666	0.6
193.06084	1.9
193.08533	0.6
195.13791	0.7
197.08284	0.6
197.15317	3.4
199.05341	5.9
203.10739	0.6
203.14313	0.5
207.10104	0.5
211.07195	1.3
211.09673	5.4
215.16475	0.7
217.12314	0.6
225.11104	0.9
227.04849	6.0
235.03035	0.5
239.09000	0.7
245.05917	43.2
246.06259	0.6
255.14001	0.6
273.15201	1.8
301.18152	0.4
303.06808	0.5
312.85641	0.5
315.19635	1.3
320.16769	0.7
333.20575	0.9
338.17795	4.2
356.18872	1.1
358.17111	0.5
359.60208	0.5
366.17328	1.4
367.22797	0.5
376.17972	1.2
384.18161	0.8
395.20175	0.6
415.16516	1.0
423.19809	0.8
441.21017	1.6
459.16208	1.8
459.22299	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	459.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.0
55.01861	5.1
55.05515	8.0
57.03430	6.4
67.05511	13.4
69.03441	10.7
69.07066	2.7
69.46989	4.9
69.47417	9.7
71.04990	6.6
75.69099	1.6
79.05502	17.8
79.11920	1.4
81.03423	20.8
81.07066	20.0
82.03749	2.9
83.04974	10.7
83.08610	1.3
85.02905	6.6
91.05491	21.2
93.07047	32.0
95.01313	3.3
95.04974	40.4
95.08595	9.4
97.02874	6.1
97.06522	7.3
99.04456	12.8
103.03953	2.8
105.07040	87.7
107.04942	2.8
107.08596	31.7
109.02885	44.5
109.06522	19.6
109.10172	9.0
110.03217	12.1
111.03358	2.2
111.03745	2.0
111.04426	11.6
111.08097	2.3
113.02390	2.0
115.05460	2.7
116.06224	2.1
117.05480	1.7
117.07021	14.1
117.08371	1.7
119.03439	1.6
119.08596	26.6
121.06535	12.9
121.10146	21.2
123.04439	1.6
123.08076	2.6
123.11662	1.6
127.03928	44.8
127.07594	2.8
129.05486	2.9
129.06998	5.1
130.07823	10.0
131.08575	25.7
133.06483	8.9
133.10129	8.5
135.04434	3.7
135.08066	10.1
135.11702	16.3
137.05971	2.1
137.09669	3.1
141.01852	4.3
143.08568	7.8
145.06433	2.1
145.10132	89.3
147.08044	6.1
147.11708	10.8
149.05992	6.6
149.09637	12.3
151.07437	2.0
155.08562	4.5
157.10161	4.0
158.07317	7.0
159.08156	2.1
159.11679	4.5
161.09644	3.2
163.07507	2.9
163.11192	82.1
165.09102	4.5
168.09239	1.7
169.08624	5.4
169.10054	2.8
171.07983	2.6
171.11655	2.5
173.08144	1.7
173.09624	32.5
175.11205	1.7
175.14842	2.3
179.10739	1.9
185.09691	3.6
187.11182	1.8
191.10690	100.0
197.13426	1.6
199.11223	2.5
203.14243	2.0
207.10194	6.4
209.11725	4.8
211.16939	2.6
217.12160	2.6
225.11023	4.2
233.07727	1.8
237.16702	2.4
247.13252	2.4
265.14386	44.3
266.14633	1.8
281.53964	1.5
283.15295	2.8
297.18390	2.2
315.19492	5.0
423.21909	2.8
441.22598	3.7
459.22946	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	459.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01885	4.7
55.05515	5.8
57.03439	15.9
59.15245	0.8
60.04522	0.9
61.02932	2.8
62.52834	1.0
67.05502	6.9
69.03429	11.4
69.07077	7.6
70.06619	1.0
70.14287	3.4
70.14706	1.9
71.01360	18.4
71.04993	4.7
73.02921	21.8
73.16169	1.0
74.06082	2.7
75.04476	2.1
79.05062	1.6
79.05499	26.7
81.03412	4.3
81.07066	11.7
83.01353	1.8
83.04978	3.5
85.02912	42.6
86.09711	67.8
89.02380	1.2
91.05499	14.1
93.07049	49.4
93.36853	1.0
95.01345	4.1
95.04987	6.8
95.08616	4.0
97.02891	13.2
97.06532	3.7
99.00823	4.9
99.04478	5.0
101.02395	6.3
101.06018	1.0
103.03956	5.9
105.07041	38.3
107.04959	2.4
107.08601	100.0
108.09956	1.2
109.02866	3.0
109.06540	6.5
109.10172	5.1
110.03168	1.4
111.04404	1.2
111.08091	2.9
113.01682	1.6
113.02384	17.2
115.05463	1.0
117.05526	1.7
117.07027	4.6
119.08578	11.5
121.06516	19.3
121.10175	16.3
123.00800	1.3
123.08003	1.2
125.05995	1.4
126.05521	4.1
127.03907	2.9
127.07588	1.3
129.05463	4.5
130.07834	1.6
131.03424	11.3
131.08572	4.5
132.10243	2.4
133.06511	1.3
133.10153	2.8
135.08078	10.1
135.11705	24.4
137.05937	1.2
137.09688	2.3
141.01834	9.3
141.05461	1.4
145.04976	2.0
145.10132	38.3
147.04349	1.1
147.11664	4.6
149.06027	2.1
149.09637	14.1
157.13332	2.3
159.02916	4.7
159.06497	1.6
159.11743	1.5
161.09633	1.9
163.11192	76.1
164.11453	1.1
165.09125	1.3
169.04944	2.5
169.10175	1.4
171.06538	1.6
173.09666	6.7
173.13326	1.2
175.07466	1.2
177.05513	2.0
181.12239	7.7
185.12946	2.0
187.06079	3.4
191.10678	61.7
193.15956	1.4
197.04504	3.3
197.09320	2.0
203.13971	3.2
209.11734	10.3
215.05501	8.4
215.10423	1.2
217.27200	1.1
227.12752	8.5
233.06529	1.7
233.11740	1.1
239.13942	12.6
241.12173	1.0
242.71590	1.1
245.11676	1.1
257.14923	8.4
265.14392	7.5
283.15387	24.7
300.19232	2.0
305.08725	2.5
307.15421	1.9
316.22348	1.2
328.18527	5.5
355.08334	1.6
373.09506	1.1
377.15778	1.2
395.16916	1.0
405.15262	2.1
415.10083	6.8
423.16614	3.4
441.17349	2.2
459.09448	7.0
459.18622	45.0
459.31772	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01874	5.9
55.05507	4.6
57.03437	11.9
61.02919	2.2
64.61338	0.7
65.03944	1.2
67.05498	4.6
69.03433	9.7
69.07057	2.2
69.11056	0.7
71.01358	18.1
71.04989	2.6
73.02921	20.9
75.04466	3.1
77.03938	0.7
79.05492	24.3
81.03416	2.1
81.07060	9.1
82.04206	0.8
83.01334	2.5
83.05000	3.4
85.02906	43.4
85.06554	0.9
87.04472	1.1
91.05482	10.1
93.07045	47.5
95.01339	3.7
95.04963	5.5
95.08598	3.4
97.02888	11.9
97.06538	3.7
98.21501	2.2
99.00828	5.0
99.04464	4.7
99.08093	1.3
101.02386	5.8
103.03942	5.3
103.05403	1.0
105.07034	41.6
106.22099	0.7
107.04950	2.2
107.08595	100.0
109.02895	2.0
109.06510	3.1
109.10160	3.0
111.08073	3.2
113.02370	19.0
115.03954	1.1
115.05412	0.9
117.05521	1.2
117.07007	4.6
119.03474	0.7
119.06039	0.9
119.08584	10.6
121.06508	18.0
121.10149	19.3
123.00829	1.0
123.04443	0.8
123.08121	0.7
127.03950	1.7
127.07588	0.9
129.05495	5.0
130.07794	2.6
131.03398	10.8
131.08574	3.3
132.60414	0.7
133.10153	3.5
134.10513	0.9
135.07108	1.1
135.08060	10.5
135.11694	22.1
139.07555	0.8
141.01825	9.8
141.05450	0.9
143.08521	1.0
145.04994	2.0
145.06401	0.8
145.10126	35.5
147.11716	7.3
149.05994	1.3
149.09624	15.0
158.07307	1.0
159.02876	5.7
159.06522	2.2
159.11777	0.8
161.09642	1.2
163.11182	80.2
164.11525	0.9
169.04964	3.9
171.06535	2.4
173.09639	6.4
175.14833	1.2
181.12260	8.8
187.06061	1.9
187.11185	1.0
191.10669	67.5
192.11018	1.0
192.69438	0.7
193.15845	0.7
197.04472	3.1
209.11732	13.0
211.16974	2.0
215.05473	7.3
227.12801	9.0
233.06496	2.4
247.13483	1.4
265.14343	8.8
283.15408	30.9
305.08777	1.7
307.15381	3.8
325.16644	1.0
377.15820	1.8
395.17136	1.2
405.15393	2.3
423.16708	2.7
441.17441	3.0
459.18622	49.2
460.18945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01871	2.9
55.05513	2.1
57.03445	1.7
59.04998	1.2
61.02935	1.6
67.05487	0.8
68.99793	1.4
69.03430	7.9
69.07059	0.5
69.47079	1.0
69.47511	1.1
71.01332	0.2
71.04990	6.7
73.02931	1.7
79.05484	0.8
80.04996	1.0
81.03419	10.2
81.07047	1.1
82.03728	0.3
83.01340	0.4
83.04980	3.4
83.08606	0.4
84.04475	0.6
84.35295	0.2
85.02906	16.8
85.06538	0.9
87.00829	7.0
91.03953	0.7
91.05503	1.4
93.07065	1.3
95.04976	2.0
95.08611	1.6
97.02893	9.2
97.06480	0.5
98.20680	0.4
99.04455	4.0
101.06022	0.8
103.03917	0.6
103.05459	0.4
105.01859	3.3
105.07021	1.7
107.04953	0.8
107.08591	1.4
109.02126	0.5
109.02880	10.8
109.06506	0.9
109.10146	0.7
109.15015	0.2
110.03199	0.9
111.04433	1.2
111.08062	0.3
113.06011	3.9
114.03776	1.4
115.05421	0.5
116.01653	0.6
117.01864	1.1
117.07010	0.8
119.05008	0.3
119.07043	0.3
119.08578	1.3
121.06542	0.3
121.10112	0.5
123.04422	1.7
123.08066	0.5
125.09621	0.3
127.03918	14.4
129.01848	1.4
129.07013	0.6
131.08524	0.4
133.06509	1.4
133.10132	1.2
135.08089	0.5
135.11679	0.7
137.05978	12.2
137.09610	0.5
139.03897	1.0
141.05484	1.4
142.03227	8.9
143.07076	0.6
145.03894	0.4
145.04967	5.4
145.06212	0.3
145.06491	0.2
145.10115	0.3
147.02890	0.6
147.04396	2.3
147.08073	2.0
147.11700	0.3
149.05949	0.7
151.03922	0.9
151.07539	1.3
153.05469	4.1
153.06586	0.5
155.03357	0.4
157.06525	0.3
159.02884	3.9
161.05960	1.4
161.09630	0.6
161.13261	0.3
162.02209	0.6
163.03857	0.2
164.04663	0.3
165.05455	2.6
165.09122	7.0
166.09558	0.3
167.03404	0.3
167.07054	0.9
169.04980	4.7
170.02718	3.5
173.08235	0.4
175.07550	3.4
175.11287	0.3
175.14745	0.4
177.05473	0.9
177.12790	0.5
179.07027	2.4
181.04926	0.7
183.06572	0.4
185.08017	0.4
185.09569	0.4
187.07545	0.3
189.05507	0.3
189.09097	1.0
191.07001	0.9
192.07825	0.5
193.08611	15.2
194.09042	0.5
197.08095	7.2
199.05363	0.4
199.07384	0.4
200.08356	0.3
203.07005	2.3
205.08609	0.8
207.06520	1.1
207.10173	0.6
209.08087	0.7
211.09656	100.0
212.09999	2.8
213.03897	0.3
213.08844	0.3
215.07071	0.3
217.05011	0.8
217.08591	0.8
221.08099	3.5
223.09613	0.8
227.04869	0.6
231.04948	1.0
231.06567	1.0
231.10037	0.4
235.09621	4.6
239.09143	3.9
241.08691	0.3
245.05936	3.8
245.08118	0.6
245.10181	0.6
249.07576	0.6
249.11221	0.7
253.10710	3.6
255.10187	0.3
259.05820	0.3
259.09671	0.6
263.09140	2.1
273.11218	0.9
275.09152	0.3
277.10684	4.0
277.13409	0.4
287.09088	2.0
301.10712	2.9
305.10242	2.7
315.19418	0.5
319.11877	3.2
333.20743	0.3
338.17731	0.5
340.85776	0.3
367.11771	0.5
393.14273	0.2
405.11862	0.4
441.21951	0.4
459.22342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84441	0.6
55.05508	0.7
57.03445	0.7
66.32211	0.7
67.05502	1.1
69.03433	0.8
69.07030	1.1
70.06597	6.4
70.41586	1.1
70.41997	1.9
72.08154	3.1
79.05488	0.9
81.07048	1.6
84.04525	1.4
84.08139	1.3
85.02914	2.2
86.09696	7.0
89.04919	0.6
91.05475	1.8
93.07050	1.6
95.04995	0.7
97.02871	1.3
102.65432	0.6
105.07018	1.0
107.04939	0.8
107.08599	1.5
109.02884	0.7
110.07175	1.0
115.41138	0.6
116.07091	1.5
119.04903	0.8
120.08137	0.9
120.46126	0.5
127.03923	1.3
129.10249	0.8
130.17551	0.6
136.07591	0.8
137.48409	0.6
141.27754	0.6
145.02861	0.9
147.04431	1.7
165.09132	1.2
177.05466	1.6
179.68539	0.6
193.12077	2.0
199.18007	1.1
203.05267	1.2
211.13014	4.3
227.05460	0.7
227.12866	0.8
233.11429	0.7
243.04744	1.1
245.06357	2.9
247.62854	0.6
253.12988	1.0
271.03995	0.8
287.03717	8.0
289.05276	19.4
323.95203	0.7
347.09561	1.4
373.18311	2.4
395.86081	0.7
415.19391	10.7
459.18393	100.0
460.18765	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0904
Annotation	8-Demethyltetracenomycin C
Peak:m/z	Relative Intensity
67.84912	0.7
70.94985	1.6
84.79439	0.7
85.02905	0.9
107.00090	0.7
114.89367	1.3
116.89133	3.0
120.14981	0.9
121.97337	0.7
127.03921	2.4
156.04240	2.1
177.67303	0.7
231.37283	0.7
281.07047	0.8
333.05829	2.0
459.09030	100.0
460.09290	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	459.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01873	3.1
55.05503	1.7
57.03423	1.7
61.02917	1.6
62.72555	0.5
67.05495	1.9
68.99809	0.6
69.03429	7.6
69.07059	0.8
70.71822	1.7
71.04996	7.1
73.02927	2.4
79.05492	2.1
80.05011	1.0
81.03419	11.7
81.07043	1.8
82.03761	0.6
83.08598	1.2
85.02906	15.7
85.06549	0.6
87.00835	4.7
91.05470	2.0
93.07041	2.1
95.04958	2.0
95.08614	2.6
97.02898	7.9
97.06529	0.6
99.04466	3.4
103.40186	0.5
105.01857	3.5
105.07031	3.5
107.04956	0.9
107.08638	2.4
109.02883	17.2
109.06512	2.0
109.10144	1.5
110.03215	2.4
111.04431	2.2
113.05987	3.3
114.03741	1.0
117.01879	1.0
117.07024	0.9
119.08595	3.2
121.06500	0.8
121.10132	1.4
123.04436	0.9
123.08060	1.2
123.11723	0.8
124.05274	0.6
126.09882	0.5
127.03923	17.4
129.01816	1.1
131.08609	0.9
133.06480	2.0
133.10152	1.2
135.08070	0.7
135.11700	0.9
137.05978	9.5
137.09573	0.9
139.03937	0.6
141.05447	1.5
142.03235	7.2
145.04964	4.9
145.10100	0.9
147.02934	0.8
147.04425	1.0
147.08052	1.7
147.11708	0.7
149.05969	0.6
149.09599	0.9
151.07536	1.2
153.05449	3.7
157.10175	0.7
159.02910	5.4
159.08154	0.8
159.11719	0.5
161.05995	1.2
161.09619	0.5
165.05467	2.2
165.09125	9.1
167.07095	0.9
169.04921	4.2
170.02710	2.1
171.11722	0.7
173.09641	0.6
175.07530	1.8
177.05450	1.2
177.08994	0.6
178.06050	0.5
182.19130	0.5
189.09201	1.2
191.07066	0.7
193.08615	15.4
193.10294	1.0
203.07045	0.9
205.08618	0.7
207.06509	1.3
211.09659	100.0
212.09969	2.5
217.08519	0.8
217.12309	0.6
221.07985	0.5
223.09619	1.7
231.04637	0.8
231.06551	1.6
235.09631	5.4
236.43402	0.5
245.05875	2.4
249.07547	1.0
253.10812	3.6
273.11331	0.9
277.10678	4.3
283.09537	0.5
301.10651	2.7
315.19302	0.6
319.11740	3.9
390.87558	0.5
408.49255	0.6
441.22437	0.8
459.22235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
53.48656	0.1
55.01858	0.6
55.05510	0.8
65.03934	0.4
67.05505	1.5
69.03414	0.5
69.07058	0.5
70.06563	0.2
70.28894	0.7
79.05489	2.0
81.03415	2.1
81.07049	1.3
82.03715	0.2
83.04996	0.2
85.02901	1.2
87.00829	0.3
91.05478	7.9
92.05798	0.2
93.07041	1.4
95.04949	0.8
97.02882	0.4
99.04441	0.3
103.05479	0.5
105.01889	0.4
105.07027	15.1
105.72525	0.1
106.07349	0.2
107.04958	0.2
107.08582	1.9
109.02872	1.9
110.03190	0.4
115.05441	0.5
117.06226	0.2
117.07002	1.9
119.08578	7.3
121.06496	0.4
127.03945	0.9
128.06221	0.3
129.07013	2.0
131.04926	1.0
131.08574	0.9
132.05699	0.5
133.06494	1.0
133.10135	0.7
135.08028	0.3
141.06966	0.3
142.07758	2.0
143.08640	0.2
145.05069	0.2
145.06483	1.1
145.10120	1.3
146.07228	0.8
147.08047	1.0
147.11684	7.3
157.10133	1.5
159.02843	0.2
159.08025	0.2
160.08813	2.0
163.03880	0.7
164.04300	0.2
165.09290	0.2
170.54796	0.2
175.11176	100.0
176.11516	1.7
192.13834	0.5
193.12221	0.2
197.05666	0.2
228.20535	0.2
231.05077	0.3
272.19235	0.1
283.13037	0.2
458.20261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	37.8
60.04528	2.2
61.67979	1.9
67.05496	8.2
69.07077	5.2
71.59474	4.0
79.05497	6.2
81.07047	7.7
83.04984	85.4
83.08617	3.7
91.05488	8.2
93.07059	10.7
95.08603	20.5
96.04466	4.2
97.06547	3.3
105.07021	10.8
107.05013	2.2
107.08598	18.0
109.06501	4.6
109.10145	16.0
110.06072	4.2
111.04475	4.9
117.07015	3.2
119.08577	33.5
121.10166	12.3
123.07969	2.4
131.08566	7.1
132.85797	2.1
133.10132	14.0
135.08098	3.9
135.11685	4.1
136.11327	2.2
137.09644	4.0
137.49635	2.5
138.16869	2.2
143.08615	2.7
145.10118	9.3
147.08081	5.3
147.11702	9.5
149.13336	2.5
157.10133	4.7
159.11702	9.6
161.13242	5.2
163.14777	3.5
165.09157	4.7
169.10167	3.2
171.11752	6.3
173.13237	4.4
183.11670	2.8
185.13327	4.9
187.14795	3.2
189.12886	3.0
189.16385	2.6
191.10701	3.7
197.13283	3.8
201.16568	3.7
209.11768	9.1
239.17792	2.8
243.13686	4.0
253.19470	3.3
281.18939	4.9
299.20035	15.8
316.22836	11.3
317.21097	28.5
358.19681	4.2
358.23730	32.8
417.26379	100.0
418.26611	4.9
458.22913	2.5
458.29001	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
60.58284	3.3
61.69434	3.2
67.20091	3.0
67.25423	3.4
69.03424	8.1
70.06591	13.8
70.24917	13.6
72.08171	4.8
78.17600	3.0
81.03421	9.6
84.04530	4.6
84.08129	7.8
85.02919	24.3
86.09702	15.1
91.05480	26.1
93.07056	5.5
97.02904	13.4
99.04432	8.0
103.03942	14.4
105.07036	5.5
109.02892	12.7
116.07097	5.4
118.16417	3.2
121.43388	3.5
127.03934	29.6
129.57019	3.2
131.08578	6.3
133.10126	5.6
137.05960	4.6
145.04971	16.4
152.07068	5.3
163.03896	6.8
163.06018	12.3
177.05444	5.8
183.25525	3.3
307.10327	5.5
320.64932	3.6
372.17023	12.9
414.18222	29.1
440.15976	4.1
451.66925	4.4
458.07608	5.2
458.17242	100.0
458.24304	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	457.3684
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
53.03947	3.6
55.05522	18.1
55.05749	4.1
57.07079	7.0
62.19165	3.5
63.11943	3.0
67.05496	15.8
69.07070	24.5
71.32224	6.3
79.05481	18.2
81.03402	6.0
81.07060	42.8
83.04980	22.6
83.08612	8.8
91.05495	21.7
91.71553	3.5
93.07040	36.4
95.04929	4.9
95.08608	77.5
97.06499	6.4
97.10189	3.8
105.07025	44.2
107.08609	43.3
109.02891	19.1
109.06510	11.1
109.10155	39.6
111.08065	9.0
114.20930	4.0
117.07001	10.3
119.08584	58.8
121.10151	37.8
123.11685	11.0
131.08594	22.4
133.10130	40.7
134.50903	3.5
135.08080	4.4
135.11710	21.9
137.05934	7.1
143.08551	7.3
143.61850	3.1
145.10120	39.6
146.16064	3.5
147.11720	26.2
149.09599	5.1
149.13297	16.9
151.11279	4.6
157.10150	10.9
159.11696	42.8
161.13237	26.3
163.11128	6.0
163.14775	12.2
165.09184	4.1
171.11688	7.4
173.13254	26.8
175.14848	18.3
177.12759	13.6
177.16386	12.0
179.14285	4.5
181.06503	11.9
185.13255	6.8
187.14763	11.5
189.16417	17.2
191.17897	7.2
199.14828	5.1
201.16382	36.6
203.17963	20.1
205.15886	8.2
205.19527	4.3
207.17403	10.7
211.14706	3.5
213.16481	9.1
215.17879	21.2
217.15831	4.7
219.17451	42.9
220.04335	3.6
221.19008	33.9
223.16891	3.9
231.17389	6.8
233.19000	100.0
243.20924	3.4
281.14203	3.9
323.12698	3.9
339.19434	5.5
340.19855	6.9
340.61411	3.9
341.19925	9.9
362.67297	4.0
381.31580	9.4
409.34509	9.8
421.34631	32.2
427.35742	5.9
439.35959	31.0
457.24814	25.3
457.37094	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Melilotigenin C
Peak:m/z	Relative Intensity
55.05505	4.7
57.07074	4.8
67.05510	5.8
69.03410	6.3
69.07062	9.2
81.07056	20.3
85.06544	59.1
91.05476	3.3
93.07064	8.5
95.04939	3.2
95.08604	36.9
97.10144	3.3
105.07056	9.4
107.08595	13.9
109.10155	16.3
111.08097	13.0
117.11645	3.2
119.08603	11.4
121.10132	14.2
123.08114	3.5
123.11701	11.4
130.91229	3.0
131.08566	9.4
133.10147	10.2
135.11708	13.1
137.13249	19.8
145.10146	7.9
147.11717	9.9
149.13293	12.1
151.14867	5.7
157.10155	7.3
159.11728	7.3
163.14882	4.2
171.11705	7.2
173.13226	5.1
183.11736	7.5
185.13239	3.2
187.14873	5.4
191.14433	5.3
191.17989	4.1
198.30067	3.0
199.14816	5.6
201.12756	7.6
205.19502	7.5
213.16351	3.5
217.15913	4.1
217.19426	4.6
229.19881	3.4
235.17070	3.4
259.24182	3.9
273.14813	3.0
343.30066	8.3
351.30692	10.4
369.31711	13.5
371.29745	5.3
373.30682	4.8
376.24875	3.3
403.33957	5.5
421.34610	31.3
439.35764	21.5
457.36777	100.0
458.37256	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3311
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.03949	6.8
55.05503	6.2
57.07051	2.6
67.05505	14.8
69.03398	1.5
69.07064	15.6
71.04990	1.8
71.22196	2.1
71.22549	2.2
78.35116	1.5
79.05486	10.6
79.84933	1.4
81.03423	29.0
81.07049	28.6
83.08614	6.2
85.02900	1.9
85.06547	4.1
91.05483	12.4
93.07051	26.9
95.04971	2.6
95.08604	46.2
97.06541	1.6
97.10098	1.9
105.07034	32.1
107.08595	48.8
109.02880	100.0
109.06522	3.6
109.10161	22.8
111.08083	2.7
117.07010	4.7
119.08585	44.7
121.06517	8.7
121.10149	35.1
122.44497	1.4
123.08080	5.0
123.11710	8.9
125.09632	2.9
127.03905	5.5
129.06998	1.5
131.08548	12.1
133.09122	2.4
133.10120	33.0
135.08078	5.8
135.11693	16.6
137.05968	6.7
137.13239	2.9
143.08539	4.5
145.10127	27.2
147.08051	4.1
147.11696	21.4
149.05974	1.6
149.09570	3.7
149.13252	27.7
153.09106	3.1
156.09325	2.0
157.10141	5.3
159.11702	14.7
161.09601	6.9
161.13274	23.6
163.11192	5.7
163.14835	27.5
165.09132	1.7
169.10204	1.6
171.11647	3.3
172.12408	1.8
173.13261	13.1
173.46938	1.5
175.11189	2.2
175.14838	18.2
177.09181	3.6
177.12714	2.1
177.16382	17.7
179.10632	2.0
183.11717	2.2
185.13255	6.3
187.14822	34.3
189.12758	13.4
189.16368	36.9
191.14308	10.7
191.17969	6.0
193.15877	2.4
195.61284	1.5
199.14839	4.9
201.14516	2.6
201.16367	24.3
203.14433	6.8
203.17941	70.8
205.12192	2.3
205.15886	9.7
205.19424	3.1
207.10231	1.8
207.13777	5.1
209.15405	2.0
213.16409	3.9
215.14337	3.7
215.17935	5.5
217.15936	4.1
217.19559	3.2
219.13759	1.9
219.17377	2.2
221.15369	2.0
223.17004	2.4
225.11200	2.5
227.17993	2.6
229.15981	1.6
231.21129	3.5
233.15298	4.4
235.17000	5.7
241.19389	1.8
245.15457	2.2
247.16927	6.4
253.14261	1.5
255.21040	2.2
261.18567	2.5
263.20105	5.9
275.20108	2.1
309.25974	2.1
365.31610	1.8
375.30542	5.8
383.33215	2.0
393.31470	18.5
395.33368	1.9
411.32547	28.7
421.30920	8.2
439.32004	11.3
457.33057	44.7
458.33405	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
53.03941	6.1
55.05505	4.7
57.03417	1.3
57.07063	1.2
59.41082	0.5
62.75721	0.6
63.34280	0.7
65.16187	0.6
67.05499	7.2
69.03412	2.6
69.07070	7.9
69.27133	7.7
71.04967	1.0
76.72948	0.6
79.05501	5.1
81.03415	31.0
81.07054	15.4
83.04956	1.0
83.08618	3.3
85.02906	2.9
85.06548	2.3
87.58031	0.6
91.05469	8.6
93.07047	16.5
95.04983	1.5
95.08603	27.7
97.02872	1.9
97.10155	1.6
98.21487	1.6
99.08099	0.9
105.07029	22.7
107.08593	26.7
109.02877	100.0
109.06524	2.7
109.10149	13.6
110.03205	1.5
111.04422	1.3
111.08092	2.4
117.06991	2.3
119.04910	0.7
119.08584	28.0
121.06488	6.3
121.10144	21.9
123.08085	3.2
123.11706	6.1
124.92032	0.6
125.09608	2.9
127.03924	8.8
129.07005	0.8
131.08566	8.5
133.06476	1.4
133.10133	21.6
135.08069	2.7
135.11678	9.9
137.02365	2.8
137.05975	5.5
137.09639	1.3
137.13252	1.5
142.07761	0.9
143.08569	3.3
145.06506	0.6
145.10112	13.6
147.08054	2.3
147.11682	15.9
149.09647	2.8
149.13251	15.9
153.09160	2.3
156.09384	0.9
157.10124	4.5
158.10838	0.9
159.08046	0.9
159.11674	7.7
161.09619	6.6
161.13255	12.2
163.03894	2.3
163.07549	0.9
163.11148	4.5
163.14824	17.1
164.15248	0.6
165.09091	1.1
169.10103	0.9
171.11678	2.9
173.13280	9.1
175.11163	2.1
175.14836	13.1
177.09100	1.0
177.12773	1.8
177.16376	12.5
179.10626	1.5
179.14278	1.2
181.12361	0.7
183.11729	1.1
185.09607	0.7
185.13271	2.9
187.11192	0.8
187.14824	17.5
187.16438	1.3
189.12758	7.7
189.16374	21.6
191.10582	0.8
191.14316	7.5
191.17909	3.0
193.05019	0.7
193.15909	1.1
197.13170	0.8
199.14784	3.0
201.16373	12.0
203.14354	4.3
203.17952	36.7
205.12273	3.6
205.15874	6.0
205.19547	1.4
207.13789	5.1
209.15260	1.1
213.16408	2.9
215.14357	1.0
215.17935	3.3
216.98035	0.6
217.15883	2.2
217.19411	1.0
219.13895	2.2
219.17529	1.9
221.15382	1.5
223.16949	1.0
225.11223	1.0
227.17995	2.6
229.15857	1.1
229.19574	2.6
231.13977	0.7
231.21014	1.3
233.15424	1.0
234.99091	1.9
235.13278	1.5
235.16917	3.0
241.19679	0.8
243.17598	0.9
247.16939	4.5
249.18486	1.1
253.14413	1.7
256.48544	0.7
259.16693	0.7
261.18512	1.6
263.20081	2.0
275.20233	1.5
309.25568	0.9
337.28809	0.9
365.32172	0.7
375.30603	3.2
383.33337	0.9
393.31506	11.3
395.33228	1.8
411.32593	14.7
413.34286	1.3
421.31082	4.9
439.32089	6.1
457.22525	1.2
457.33133	20.1
458.33441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3313
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
52.82326	0.7
53.03943	6.3
55.05520	4.0
57.07084	1.5
62.07658	0.8
67.05505	7.7
69.03426	1.0
69.07078	9.2
69.63671	6.2
71.04990	1.0
75.75381	0.8
79.05486	6.0
81.03420	30.0
81.07064	19.5
82.24615	0.8
83.08625	4.4
85.02896	1.9
85.06533	1.5
91.05482	11.6
91.37828	0.8
92.37189	0.9
93.07050	16.7
95.04951	1.2
95.08613	27.5
95.09233	1.3
97.10167	2.8
105.07037	25.3
107.08601	29.6
109.02885	100.0
109.06533	2.7
109.09450	1.2
109.10162	14.4
110.03197	1.8
111.08081	2.0
117.07035	1.2
119.08587	32.1
121.06504	7.5
121.09322	1.3
121.10154	20.1
123.08116	1.8
123.11716	5.9
124.80006	0.7
125.06004	1.0
125.09658	2.5
127.03922	4.9
129.07025	1.2
131.08572	8.6
133.10139	22.0
135.08046	2.5
135.11697	11.4
137.06004	5.4
137.09621	1.5
137.13289	1.7
143.08588	2.8
144.09311	1.1
145.10124	15.3
147.08078	2.4
147.11685	14.6
149.09656	1.3
149.13274	16.1
153.09125	2.0
156.09331	1.1
157.10161	4.8
159.11702	8.3
161.09654	6.4
161.13260	15.5
163.11209	5.6
163.12468	1.0
163.14836	17.7
165.09172	1.5
171.11691	3.8
173.13263	8.5
175.11201	1.7
175.14821	14.2
177.09099	2.3
177.16391	11.7
179.10664	1.7
179.14198	1.2
181.12143	0.9
183.11761	1.3
185.13264	3.7
187.14850	18.4
189.12817	9.1
189.14690	1.8
189.16391	23.3
191.10667	1.1
191.14340	8.0
191.17920	3.9
199.14752	2.5
201.12711	0.9
201.16386	10.0
203.14343	3.3
203.17966	43.8
204.18452	0.9
205.12283	1.8
205.15912	5.3
205.19539	2.8
207.13817	4.6
209.40158	0.9
213.16376	1.7
215.14229	1.1
215.17950	2.3
217.12254	1.1
217.15858	2.3
217.19508	1.2
219.17422	1.8
221.15414	1.8
223.16736	1.0
227.17819	0.9
229.19510	1.3
231.21138	1.4
233.15344	1.3
235.13309	1.9
235.16962	2.5
241.19501	1.0
247.16838	2.0
247.44693	0.9
253.14368	2.3
261.18365	1.3
263.20132	3.2
275.20108	1.0
299.54318	0.9
309.25629	0.8
365.32053	1.3
375.30490	4.0
383.33270	1.7
393.31485	11.5
395.33038	1.6
411.32599	18.6
421.31091	4.5
439.32068	8.1
457.22949	1.5
457.33163	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	457.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.05517	11.5
65.03934	3.8
65.34373	2.6
67.05505	15.9
67.45487	2.4
68.35969	2.4
69.07067	19.3
69.43795	25.5
69.44149	4.2
71.04975	4.4
74.05241	2.5
75.77689	2.4
79.05495	16.6
81.03419	27.9
81.07064	41.2
83.08613	10.1
85.02896	6.9
85.06544	4.3
91.05487	18.5
93.07044	40.9
95.04960	3.8
95.08611	67.1
95.09240	3.5
97.10170	4.2
97.20596	2.1
98.20702	3.9
105.07029	61.1
107.07869	4.0
107.08594	70.1
109.02885	100.0
109.06511	4.6
109.10151	33.9
110.03206	3.4
111.08086	4.6
117.07001	5.1
119.05099	2.4
119.08586	60.4
121.06512	12.4
121.10148	52.3
123.08080	7.2
123.11732	16.9
125.09633	4.3
131.08551	25.5
133.10123	47.6
135.08072	6.7
135.11678	20.4
137.05966	12.5
137.09625	4.1
137.13248	6.1
143.08569	9.9
145.10126	35.8
147.07996	7.8
147.11694	37.4
149.09685	4.0
149.13261	36.9
151.07666	2.5
153.09155	6.1
157.10126	8.1
159.08208	2.4
159.11673	19.3
161.09590	13.3
161.13269	28.2
163.11180	10.6
163.14807	36.6
171.11693	5.7
173.13231	19.1
175.14836	27.4
177.09128	7.2
177.12753	2.6
177.16367	26.4
183.11691	5.1
185.13232	7.0
187.11197	3.9
187.14838	51.4
189.12798	12.6
189.16383	57.2
191.14288	17.2
191.17957	11.0
199.14789	4.6
201.16397	34.8
203.14301	9.1
203.17966	92.9
204.57310	2.6
205.12221	5.9
205.15898	13.8
205.19371	5.0
207.13823	9.9
213.16434	5.8
215.14311	4.1
215.17981	8.3
217.15916	4.8
219.17493	4.9
221.15381	3.5
223.16989	2.8
225.11183	4.1
227.17972	5.7
229.19498	5.0
231.21146	4.7
233.15421	3.7
235.13318	2.8
235.16919	6.6
247.16985	6.0
249.18617	3.2
253.19643	3.4
261.18564	2.9
263.20026	5.0
309.25864	2.9
375.30405	4.6
383.33069	3.0
393.31506	19.6
395.33203	3.7
411.32587	37.7
421.30991	8.1
439.32016	15.5
457.33142	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03944	4.9
53.10492	0.3
55.05506	2.2
57.07075	0.8
65.03925	0.5
65.12994	0.3
67.05199	0.4
67.05508	3.4
68.55775	0.3
69.03401	0.7
69.07067	3.8
69.83408	1.8
73.57633	0.4
79.05499	3.0
81.03416	30.5
81.07055	7.1
82.03742	0.4
83.04954	0.4
83.08614	1.5
83.89574	0.3
85.02922	0.9
85.06541	0.6
91.05475	3.8
93.07039	7.3
95.04990	0.8
95.08607	11.9
97.06497	0.7
97.10164	0.8
99.08030	0.4
105.07026	9.1
105.12254	0.3
107.08597	10.4
107.09295	0.7
109.02878	100.0
109.06516	1.3
109.10149	6.2
110.03216	2.8
111.04442	0.6
111.08106	0.8
111.11755	0.5
117.07009	1.0
119.04961	0.6
119.08587	9.8
121.06496	2.7
121.10139	8.4
123.08083	1.6
123.11723	3.1
124.08823	0.6
125.09622	2.9
127.03912	6.2
129.06995	0.5
131.08539	3.5
133.06485	0.9
133.10124	8.3
135.08086	1.1
135.11690	4.1
137.05965	2.8
137.09602	0.7
137.13272	0.7
142.07787	0.4
143.08553	1.1
145.10123	4.9
147.04387	1.5
147.08047	1.5
147.11681	6.0
149.09615	1.1
149.13252	6.8
151.11116	0.4
153.09091	0.5
156.09337	0.3
157.10092	0.9
159.08041	0.4
159.11711	2.9
161.09613	3.0
161.13255	5.1
163.11217	2.0
163.14830	7.0
165.09087	0.7
171.11690	1.6
173.13264	3.8
175.11205	0.6
175.14813	5.9
177.09105	1.0
177.12791	0.5
177.16388	4.0
179.10666	0.6
179.14297	0.7
181.12254	0.4
183.11705	0.6
185.13245	1.4
187.11174	0.5
187.14803	6.8
189.12720	2.6
189.16379	8.4
191.10878	0.4
191.14314	2.8
191.17946	1.6
193.15889	0.8
197.13272	0.5
199.14809	1.5
201.16338	3.5
203.14374	0.9
203.17957	19.6
204.18301	0.6
205.12303	1.0
205.15884	1.7
205.19498	1.1
207.10225	0.5
207.13802	2.3
211.14899	0.5
213.16425	0.8
215.14378	0.8
215.17970	1.0
217.12323	0.4
217.15866	0.9
217.19427	0.5
219.13765	0.8
219.17332	0.5
221.15373	0.6
225.11188	0.8
227.17981	0.6
229.15866	0.6
229.19406	0.8
231.21095	0.7
235.13272	0.7
235.16945	0.9
239.18016	0.5
243.17516	0.6
247.17053	0.8
249.18567	0.4
253.14505	1.0
261.18579	0.7
263.20047	1.0
275.20056	0.6
315.12296	0.6
331.18967	0.4
333.13321	0.7
355.26483	0.4
365.31900	0.6
375.30383	1.1
383.33331	0.5
393.31549	3.7
395.32919	0.6
411.32645	6.9
413.33838	0.5
421.30899	1.5
439.31873	3.2
457.22025	1.7
457.26907	0.6
457.33044	11.8
458.22629	0.6
458.33347	0.5
470.47830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
52.03158	0.3
53.03947	5.3
55.01864	0.3
55.05511	2.6
57.07070	0.8
65.03928	0.3
66.83301	0.2
67.05506	3.1
69.03439	0.7
69.07072	3.9
69.91891	1.7
71.04999	2.0
79.05494	3.6
81.03423	30.7
81.07063	7.5
82.03745	0.7
83.04981	0.6
83.08630	1.6
85.02911	1.7
85.06538	0.8
86.83192	0.3
87.58208	0.3
87.66959	0.3
91.05480	4.2
93.07050	6.9
95.04986	0.9
95.08616	12.5
97.02889	0.5
97.06543	0.9
97.10175	0.8
99.04477	0.3
103.05488	0.5
105.07034	10.4
107.07868	0.5
107.08601	12.6
109.02887	100.0
109.06519	1.8
109.10162	7.8
109.84901	0.3
110.03205	2.1
111.04445	0.6
111.08105	0.7
111.11726	0.5
116.98598	0.3
117.07047	1.0
119.08586	10.9
121.06531	2.7
121.10157	9.0
121.67738	0.3
122.10493	0.4
123.08096	1.6
123.11710	2.5
124.08839	0.5
125.09631	2.0
127.03928	6.9
128.04224	0.3
128.06198	0.3
129.05458	0.4
129.07021	0.5
131.08588	3.6
133.06480	1.4
133.10136	9.8
134.99619	0.3
135.08087	1.4
135.11705	4.2
137.05989	2.6
137.09607	0.6
137.13274	0.7
139.07600	0.3
139.11411	0.3
142.07776	0.5
143.08557	1.7
144.09337	0.5
145.10129	6.1
146.99680	0.3
147.08029	1.9
147.11694	6.4
149.09610	1.4
149.13271	7.4
151.07510	0.3
151.11250	0.3
151.14900	0.3
153.09073	0.3
155.08653	0.3
157.10146	1.7
158.10875	0.5
159.08095	0.7
159.11681	3.3
161.09630	3.1
161.13258	5.0
163.07579	0.6
163.11183	2.9
163.14827	7.0
164.15178	0.3
165.09090	1.6
169.10094	0.5
171.11702	1.7
173.09673	0.4
173.13268	4.0
175.11240	0.8
175.14828	5.6
177.09132	1.1
177.12764	0.6
177.16400	4.3
179.10698	0.9
179.14305	0.5
183.11703	0.7
185.13329	1.5
187.11185	0.6
187.14850	6.3
188.15160	0.4
189.12766	3.7
189.16383	9.3
191.10675	0.9
191.14343	3.4
191.17958	2.2
193.15912	0.3
195.11653	0.4
197.13290	0.4
199.14801	1.3
201.12767	0.5
201.16382	3.7
203.14349	1.2
203.17972	20.7
204.18301	0.5
205.12276	1.2
205.15919	1.2
205.19502	1.2
207.10229	0.5
207.13805	2.2
211.14830	0.5
213.16409	0.9
215.14381	0.7
215.17999	1.0
217.15846	1.1
217.19446	0.3
219.01831	0.6
219.13902	0.7
219.17496	0.4
221.15395	0.6
225.11223	1.1
225.16371	0.3
227.12668	0.5
227.17969	0.4
229.12256	0.5
229.15970	0.5
229.19481	0.7
231.13689	0.3
231.21083	0.6
233.15456	0.3
235.13274	1.0
235.16985	0.8
237.02864	1.2
241.19542	0.3
243.17432	0.4
245.15306	0.4
247.16904	0.7
249.18553	0.3
253.14262	0.6
259.16797	0.3
261.14951	0.3
261.18582	0.5
263.20078	0.9
267.63428	0.3
281.22693	0.4
285.18625	0.4
287.20227	0.4
303.19766	0.4
313.18024	0.7
331.19061	0.8
375.30609	0.7
383.21893	0.4
383.33014	0.9
393.31512	3.4
395.33350	0.6
411.32617	6.8
418.80850	0.3
421.31018	1.5
439.32123	3.4
457.22284	3.2
457.33112	11.5
458.22433	0.7
458.33487	0.5
468.18576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3316
Annotation	Norselic acid B
Peak:m/z	Relative Intensity
50.64268	2.7
53.03942	3.9
55.01877	3.9
55.05507	30.1
56.96584	6.8
57.07079	10.2
67.05517	24.6
69.03440	4.7
69.07059	31.5
71.08635	4.8
71.59107	3.2
79.05486	20.5
81.03399	4.4
81.07064	34.7
83.05005	4.1
83.08627	18.4
91.05487	21.6
93.07038	59.0
95.04980	6.4
95.08603	44.0
97.06544	14.9
97.10157	25.1
105.07040	26.5
107.04980	3.4
107.08593	46.9
109.02883	13.5
109.06528	6.0
109.10152	25.9
111.08102	11.6
111.11722	4.3
114.28961	3.6
117.07014	4.3
119.04959	7.6
119.08580	28.6
121.06526	10.3
121.10132	34.3
122.28276	3.5
123.08058	8.2
123.11716	12.4
129.64401	3.1
131.08586	10.9
133.06540	4.7
133.10152	25.5
135.08096	9.5
135.11725	13.0
137.06023	5.7
137.09593	4.3
137.13272	5.8
143.08574	13.1
145.06497	4.0
145.10121	16.3
147.08099	9.0
147.11690	15.7
149.09608	3.5
149.13211	8.0
151.07550	16.1
151.11299	4.3
153.09033	3.7
155.08508	5.1
156.09398	4.0
157.10165	9.5
159.08075	8.9
159.11699	15.8
161.09607	7.5
161.13316	7.4
163.03963	4.9
163.11148	5.5
165.09155	5.1
169.08636	4.7
169.10184	5.7
171.08188	4.0
171.11658	5.4
173.09634	7.1
173.13295	10.3
175.11143	4.5
175.14902	9.0
177.12857	5.8
177.16414	10.6
179.08643	3.7
183.11737	9.2
185.09636	13.7
185.13278	9.9
187.11223	6.5
187.14915	6.0
189.09203	5.8
189.12791	3.8
189.16428	8.0
199.11179	5.9
199.14870	5.4
201.12753	5.7
203.18082	8.0
203.81192	3.6
205.15828	7.0
207.10095	4.7
209.11639	3.7
209.13359	4.8
211.11244	3.3
213.12634	6.4
213.16295	3.5
215.14226	4.3
215.17941	4.7
217.15964	3.6
219.17627	5.1
227.14421	6.1
231.13814	4.5
233.15388	10.8
233.18918	3.8
245.15414	10.6
250.43497	3.2
258.89557	3.1
261.14886	10.3
263.16318	22.7
295.20618	3.3
299.19989	5.6
311.20059	8.5
319.20663	6.9
325.21475	5.1
337.21655	7.5
343.22705	48.6
347.89844	4.6
355.22678	85.3
355.26938	5.8
357.24393	9.4
383.25992	5.0
399.49252	4.0
403.29941	6.6
421.31067	12.5
439.31912	64.3
457.25546	11.8
457.32874	100.0
470.98279	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3312
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
51.34317	2.3
52.03145	2.2
53.03944	4.2
55.05510	12.6
67.05491	17.1
69.03416	3.2
69.07076	16.7
70.11794	11.2
79.05486	13.4
81.03412	23.0
81.07067	35.7
83.04984	2.8
83.08611	9.8
85.02923	5.5
85.06549	5.2
91.05492	19.5
93.07047	38.5
95.04922	2.8
95.08602	61.6
97.10172	3.5
97.10865	2.1
105.07031	55.6
107.08598	64.4
107.42933	2.2
109.02881	69.0
109.06498	6.1
109.10155	33.5
111.08050	4.0
117.07017	4.6
119.08584	55.5
121.06496	15.1
121.10147	40.0
123.08012	3.8
123.11689	13.7
123.71626	2.0
127.03922	5.5
129.06993	2.3
131.08568	18.4
131.64766	2.0
133.10130	48.1
135.08038	6.2
135.11700	19.9
137.05988	10.0
137.09608	2.8
137.13255	4.7
138.76538	2.3
143.08595	6.9
145.10135	36.3
147.08040	6.4
147.11699	28.0
149.09631	5.4
149.13257	35.4
153.09155	5.7
157.10121	6.0
158.10994	2.4
159.11719	18.8
161.09630	12.2
161.13274	28.4
163.03917	7.3
163.11160	10.7
163.14828	39.5
165.09131	7.2
171.11774	4.0
173.13281	19.6
175.11224	4.5
175.14812	28.5
177.09138	4.8
177.12863	3.2
177.16389	29.7
177.28857	2.3
179.10669	2.5
179.14323	3.1
185.13271	3.7
187.11226	3.6
187.14810	43.0
189.12793	12.7
189.16373	54.9
191.14307	17.6
191.17937	10.6
193.15981	3.2
199.14806	4.6
201.16393	28.3
203.14363	5.2
203.17964	100.0
205.12181	3.7
205.15834	17.3
205.19485	5.8
207.10181	2.9
207.13811	11.5
209.15298	3.1
209.78430	2.5
213.16394	7.4
215.14279	2.8
215.17953	7.7
217.12277	3.2
217.15953	5.0
219.17487	7.6
221.15445	4.9
223.16852	3.8
225.11244	2.9
227.18039	3.6
229.19556	4.9
231.20871	2.4
235.16949	8.3
245.15253	2.5
247.16896	8.2
249.18509	5.4
253.14366	3.0
261.18631	4.9
263.20093	6.8
270.33820	2.6
275.20102	3.0
309.25641	2.9
337.28946	2.6
375.30371	7.4
377.31693	2.3
383.33130	2.9
393.31598	28.9
395.33307	5.1
398.35263	2.3
411.32593	44.3
421.31030	12.8
439.32138	18.5
440.91138	2.6
454.87460	3.1
457.33072	50.7
458.33347	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	457.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03811	7.2
60.75016	7.2
63.43911	7.5
64.30745	7.7
65.16055	7.2
67.05509	14.5
69.07100	8.9
71.61599	13.8
81.03432	10.3
81.07065	17.1
93.07058	21.7
95.08610	24.8
100.69357	7.8
105.07005	20.1
107.08617	19.4
109.02886	33.3
109.10169	19.0
119.08588	18.7
121.10148	19.0
123.11710	8.9
133.10146	18.1
135.11731	9.5
147.11656	8.9
159.11595	8.4
161.13275	9.1
178.72691	7.9
189.16415	14.6
206.05733	7.7
223.14877	8.0
254.27310	7.5
272.09451	6.4
281.19586	7.2
429.74673	7.7
457.23648	100.0
457.30609	16.7
457.31836	9.3
457.36996	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3313
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.03941	7.3
55.05285	1.0
55.05505	4.5
57.07069	1.3
63.35836	0.8
65.03938	1.6
67.05516	7.4
69.07070	8.7
70.91501	2.6
71.04968	1.1
78.42178	0.8
79.05499	7.9
81.03420	31.3
81.07059	16.5
82.03762	1.2
83.08618	5.0
85.02907	1.8
85.06545	3.6
91.05489	8.7
93.07047	18.6
95.04964	1.9
95.08611	35.5
97.06524	2.1
97.10159	1.6
103.05470	1.5
105.07037	23.1
107.04996	1.0
107.08592	34.2
109.02883	100.0
109.06528	3.5
109.10157	16.2
110.03215	3.0
111.04420	1.3
111.08089	3.4
117.07027	1.9
119.08580	34.0
121.06522	6.2
121.10152	26.4
123.08061	3.2
123.11711	8.3
125.09639	3.5
127.03928	8.2
129.07013	1.8
131.08582	11.1
133.09140	1.4
133.10136	27.9
135.08060	3.2
135.11697	13.7
137.05969	5.8
137.09586	2.1
137.13281	1.8
142.07791	1.1
143.08546	2.9
145.10136	19.1
145.11261	1.2
146.65570	0.9
147.08052	3.1
147.11696	18.7
147.44107	1.2
149.09639	2.3
149.13263	17.6
153.09114	3.0
157.10164	3.4
158.10843	1.0
159.11687	9.8
160.12099	1.0
161.09656	4.6
161.13260	15.6
163.07661	1.0
163.11174	4.6
163.14816	17.5
165.09155	1.5
171.11694	3.8
173.13248	9.7
175.11284	1.4
175.14838	15.9
177.09041	1.8
177.12720	1.3
177.16386	15.3
179.10730	1.9
179.14296	2.2
183.11739	1.1
185.13246	5.0
187.14812	26.8
189.12785	7.9
189.16374	27.7
191.14293	8.5
191.17952	5.3
193.15883	1.1
199.14836	3.4
201.12819	0.9
201.16382	15.5
203.14352	4.0
203.17960	40.5
205.12376	1.9
205.15871	9.0
205.19490	1.8
207.12106	1.2
207.13800	4.7
209.15514	1.2
213.16406	3.9
215.14413	2.1
215.17989	3.9
217.15936	2.0
217.19508	1.6
219.13879	1.3
219.17496	3.6
223.16974	2.6
225.11142	1.9
227.17947	3.2
229.19621	3.1
231.20901	1.1
233.15413	1.7
235.13199	1.5
235.16933	4.6
241.19554	1.2
247.16949	4.6
249.18571	1.8
261.18552	2.8
263.20068	4.3
275.20038	1.7
281.22324	1.3
309.25851	1.7
337.28824	1.0
338.02283	1.1
365.31940	1.3
375.30313	4.9
393.31531	14.5
395.33121	2.0
411.32584	18.9
413.34064	1.4
421.31039	6.1
439.31870	8.0
457.21164	1.4
457.33093	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	457.2353
Annotation	Vindoline
Peak:m/z	Relative Intensity
51.27291	3.5
56.96558	10.6
60.12818	3.4
66.72543	3.2
67.05499	5.4
70.43367	12.3
81.03452	5.4
81.07061	7.2
85.27161	3.1
93.07009	5.1
95.08626	8.5
105.07005	3.9
107.08616	7.5
109.02869	10.9
109.10148	7.0
109.39033	3.5
113.42354	3.1
119.08576	4.9
121.10158	8.8
123.11752	4.8
133.10143	8.2
135.11671	3.9
175.02849	5.7
193.03842	4.1
211.10667	3.6
375.18372	4.8
393.19464	12.3
457.17883	3.6
457.23453	100.0
457.36420	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	457.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
53.03947	5.6
55.05499	0.2
58.38690	0.2
59.73366	0.2
67.05494	0.4
69.03436	0.3
69.07061	0.4
71.00256	0.5
73.08873	0.2
76.90328	0.2
79.05504	0.2
81.03419	26.7
81.07045	0.7
82.03732	0.2
83.04988	0.3
84.41203	0.2
91.05492	0.3
93.07053	0.6
95.04971	0.2
95.08606	1.3
105.07047	1.3
107.08591	1.4
109.02882	100.0
109.10162	0.6
110.03204	0.5
111.04442	0.2
119.08574	1.1
121.06506	0.2
121.10166	0.9
123.08058	0.9
123.11687	0.2
124.08833	0.6
125.09637	2.5
127.03918	5.2
127.04806	0.4
131.08556	0.3
133.06502	0.3
133.10139	0.8
135.11690	0.3
143.08636	0.3
145.10150	0.7
147.11678	0.5
149.13275	0.4
159.11732	0.4
161.09663	0.3
161.13240	0.6
161.94690	0.2
163.14790	0.4
165.09138	0.5
171.11627	0.2
173.13281	0.4
175.14813	0.3
177.16374	0.3
187.14812	0.6
189.12735	0.3
189.16449	0.8
193.04936	0.3
201.16368	0.5
203.17978	0.8
205.15797	0.2
206.31848	0.2
207.10234	0.3
207.13715	0.2
233.37354	0.2
234.38828	0.2
235.00706	0.2
269.11722	0.3
272.29379	0.2
297.11230	0.3
313.17975	0.3
315.12155	0.6
333.13498	0.5
349.52960	0.2
393.31378	0.4
411.32465	0.6
457.22092	1.6
457.32974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03704	0.3
53.03947	4.9
58.53616	0.2
59.15905	0.2
66.80473	0.2
69.07055	0.3
70.95731	0.4
71.04974	0.2
79.05530	0.2
81.03422	24.6
81.07052	0.5
83.04972	0.3
91.05510	0.4
92.44424	0.2
93.07036	0.6
95.08608	0.9
97.02932	0.3
97.06514	0.3
105.07043	0.8
107.08604	0.8
109.02884	100.0
109.10162	0.6
110.03217	0.8
111.04466	0.4
117.07026	0.2
119.08595	0.9
121.06537	0.2
121.10137	0.7
123.08115	0.6
124.08843	0.6
125.09629	2.5
127.03930	4.2
131.08565	0.4
133.10126	0.7
133.67760	0.2
135.11734	0.2
141.72252	0.2
145.10176	0.4
147.08035	0.2
147.11713	0.3
149.13232	0.3
159.11766	0.3
161.13336	0.2
163.14824	0.2
171.11751	0.2
171.98412	0.2
173.13203	0.4
175.14931	0.3
187.14861	0.4
189.16370	0.5
193.05051	0.4
194.80994	0.2
203.17984	0.8
225.11089	0.3
269.11685	0.3
297.11276	0.4
315.12335	0.8
333.13452	0.3
411.32599	0.3
439.21146	0.4
457.22171	1.3
457.32864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.4
53.03945	5.2
55.00289	0.2
55.01868	0.2
55.05507	0.6
57.03431	0.2
58.96303	0.1
65.03940	0.1
67.05500	0.8
69.03431	0.6
69.07072	0.5
70.99886	0.3
71.05008	0.4
79.05489	0.8
81.03414	28.2
81.07056	1.4
82.03781	0.2
83.01344	0.2
83.04981	0.4
83.08630	0.3
85.02915	0.4
85.06564	0.4
91.05482	1.1
93.07034	1.6
95.04973	0.4
95.08607	2.4
97.02885	0.4
99.04449	0.2
103.05474	0.2
105.07029	3.1
107.04900	0.2
107.08595	2.0
109.02875	100.0
109.06480	0.7
109.10142	1.2
110.03146	0.8
111.04439	0.6
111.08104	0.3
117.07009	0.2
119.08578	2.8
121.06529	0.3
121.10126	1.9
123.08096	1.2
123.11700	0.4
124.08841	0.7
125.09625	3.1
127.03913	7.0
128.06248	0.2
129.06969	0.2
131.08562	0.4
133.06483	1.8
133.10126	1.6
135.08031	0.5
135.11707	0.7
137.05988	0.3
137.09595	0.4
137.13229	0.2
143.08559	0.4
145.10149	0.9
147.08057	0.2
147.11717	0.8
149.09618	1.1
149.13199	0.8
151.07574	0.2
151.11139	0.2
157.10129	0.3
159.08076	0.4
159.11708	0.5
159.84348	0.1
161.09569	0.4
161.13258	0.8
163.03894	0.6
163.11119	0.2
163.14836	1.0
165.09131	0.9
169.10091	0.3
171.11694	0.3
173.09639	0.2
173.13261	0.6
175.07518	0.2
175.11195	0.2
175.14796	0.8
177.12752	0.2
177.16391	0.7
179.10645	0.3
185.13206	0.2
187.14856	1.0
189.09203	0.3
189.16313	1.2
191.14299	0.4
191.17888	0.2
193.04883	0.3
193.15875	0.2
201.16364	0.8
203.17924	1.1
205.15884	0.3
207.10168	0.3
207.13675	0.3
209.15457	0.2
215.10597	0.3
215.17950	0.4
219.13866	0.2
223.16879	0.2
225.11194	0.3
232.41418	0.2
235.16957	0.2
247.16895	0.4
269.11700	0.4
289.17847	0.2
297.11182	0.3
309.25558	0.2
313.17899	0.3
315.12204	0.5
331.18863	0.4
333.13232	0.6
393.31384	0.5
411.32193	0.5
411.36749	0.3
439.20425	0.3
457.21802	1.3
457.32806	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03944	4.5
55.05500	0.6
55.97388	0.2
61.44213	0.2
61.79945	0.2
65.04833	0.2
67.05508	0.8
69.03429	0.3
69.07079	1.0
69.52821	1.8
79.05489	0.9
81.03416	27.0
81.07046	2.1
83.04996	0.2
83.08626	0.3
85.02890	0.5
91.05481	1.2
93.07040	1.9
95.04969	0.4
95.08606	4.1
97.06547	0.3
97.10165	0.2
105.07024	3.1
107.08588	3.9
109.02876	100.0
109.06519	0.6
109.10146	2.1
109.67524	0.3
110.03163	0.5
111.04427	0.4
111.08046	0.4
117.07043	0.3
119.08572	3.9
121.06519	0.7
121.10149	2.9
123.08086	0.6
123.11693	0.8
124.08866	0.6
125.09631	2.9
127.03912	4.8
129.06990	0.2
131.08578	0.9
133.06500	0.4
133.10123	2.9
135.08031	0.3
135.11676	1.3
137.05994	0.8
137.13338	0.2
143.08566	0.5
145.10115	1.9
147.08061	0.5
147.11684	2.4
149.09604	0.5
149.13264	2.0
151.07547	0.2
153.09068	0.4
157.10092	0.5
158.10918	0.2
159.11707	1.1
161.09586	0.9
161.13268	1.9
163.11197	0.6
163.14801	2.4
165.09081	0.3
171.11705	0.4
173.13232	1.4
175.11185	0.3
175.14821	1.6
177.09081	0.3
177.12772	0.3
177.16402	1.2
179.10677	0.6
185.13257	0.4
187.14801	2.2
189.09229	0.2
189.12714	0.7
189.16382	2.8
191.14276	0.8
191.17908	0.4
199.14848	0.3
201.16362	1.4
203.14345	0.3
203.17953	5.6
205.15895	0.7
205.19475	0.2
207.10239	0.2
207.13797	0.6
213.16405	0.3
215.14508	0.3
215.18001	0.4
217.15962	0.3
217.19417	0.2
221.15398	0.3
223.14748	0.2
225.11153	0.3
235.13493	0.3
235.16943	0.4
247.17079	0.4
261.18546	0.3
263.20044	0.4
272.55951	0.2
275.20068	0.4
297.11273	0.4
298.13208	0.2
313.18079	0.2
315.12289	0.6
333.13312	0.6
375.30481	0.4
393.31589	1.2
411.32584	2.5
421.30850	0.8
439.20642	0.5
439.31863	0.7
457.22287	1.6
457.33051	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	457.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
52.39671	0.2
53.03945	5.8
53.04201	0.3
65.05925	0.2
68.80974	0.2
71.02400	0.4
71.02753	0.2
78.87157	0.2
81.03418	27.1
81.07037	0.3
82.03777	0.2
95.08620	0.5
105.07035	0.3
107.08586	0.2
109.02879	100.0
110.03252	0.6
111.04447	0.6
119.08582	0.3
121.10122	0.5
123.08058	0.7
124.08873	0.6
125.09640	2.3
127.03914	4.9
127.04809	0.4
133.10106	0.4
165.09125	0.2
191.40965	0.2
193.04921	0.3
297.11121	0.4
304.39563	0.2
315.12210	0.5
333.13379	0.4
439.20901	0.3
457.22266	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.1
51.02375	0.3
53.03944	4.6
53.04202	0.3
54.40176	0.1
55.05508	0.2
67.05499	0.2
69.07062	0.2
71.04972	0.2
71.12539	0.1
71.59718	0.2
78.74166	0.1
79.05495	0.2
81.03413	28.5
81.07030	0.4
82.03773	0.1
83.04993	0.1
85.20280	0.1
91.05472	0.3
93.07034	0.3
95.08598	0.6
105.07051	0.6
107.08576	0.7
109.02872	100.0
109.10155	0.2
110.03210	0.5
111.04424	0.5
111.08035	0.1
119.08601	0.7
121.10168	0.7
123.08056	0.9
124.08836	0.7
124.25958	0.1
125.09625	2.7
127.02950	0.2
127.03909	4.8
131.08569	0.2
133.10107	0.5
135.08049	0.1
135.11584	0.1
137.05934	0.1
137.09581	0.2
143.08490	0.1
145.10088	0.3
147.04408	0.4
149.13174	0.2
151.07562	0.2
159.11742	0.2
161.09587	0.2
161.13110	0.2
163.03926	0.1
165.09096	0.3
175.14746	0.2
177.16318	0.1
179.10660	0.2
189.16356	0.2
193.04953	0.3
203.17867	0.4
217.16202	0.1
269.11707	0.3
271.16962	0.2
287.12497	0.2
297.11212	0.3
313.18185	0.1
315.12247	0.9
331.19009	0.2
333.13226	0.6
356.13629	0.5
439.20801	0.3
457.22128	1.6
457.32349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65049	0.2
51.02384	0.4
51.86059	0.2
53.03948	5.6
59.36967	0.2
67.05503	0.3
69.11018	0.2
70.96855	0.8
79.05504	0.3
81.03418	28.1
81.07066	0.6
85.02895	0.3
91.05506	0.3
93.07039	0.4
95.05029	0.3
95.08595	0.6
99.04429	0.3
105.07055	0.8
107.08598	0.6
109.02879	100.0
109.10155	0.3
110.03229	0.6
111.04417	0.3
111.08097	0.4
116.82117	0.2
117.06968	0.3
119.08598	0.6
121.10124	0.8
123.08052	1.0
124.08865	0.8
125.09627	3.1
127.03915	7.4
133.06488	0.4
133.10135	0.4
145.10103	0.3
147.11757	0.3
151.07547	0.3
159.11766	0.2
161.09558	0.3
165.09105	0.4
175.11154	0.3
177.05359	0.2
189.09126	0.3
191.14302	0.8
193.05029	0.4
200.20706	0.2
201.09184	0.3
217.09451	0.2
269.11493	0.3
287.12976	0.3
297.11273	0.5
315.12424	0.5
331.19006	0.5
333.13278	0.8
411.32849	0.3
439.21014	0.4
457.22037	1.2
482.70551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.3
50.50758	0.2
51.02377	0.3
53.03941	5.0
55.05510	0.6
57.43599	0.3
66.04099	0.2
67.05492	1.1
69.03430	0.7
69.07068	0.9
71.04997	0.5
71.35331	0.7
74.49098	0.2
78.79121	0.2
79.05492	1.2
81.03413	29.9
81.07056	2.5
81.11828	0.2
83.04958	0.4
83.08598	0.5
85.02911	0.6
85.06532	0.3
87.88139	0.2
91.05478	1.7
93.07040	2.0
95.04959	0.3
95.08606	3.9
95.09164	0.4
97.02917	0.5
97.06539	0.2
99.04436	0.3
105.07032	4.2
107.08587	4.0
109.02872	100.0
109.10153	1.8
109.11395	0.2
110.03194	0.3
111.04439	0.8
117.07018	0.5
117.36256	0.2
119.08572	4.6
121.06512	0.8
121.10141	3.1
123.08108	1.2
123.11711	0.6
124.08865	0.6
125.09620	2.5
127.03905	7.3
129.07018	0.3
131.08562	1.1
133.06485	2.9
133.10130	2.9
135.08035	0.4
135.11678	1.4
137.05965	0.9
143.08545	0.5
145.10127	2.0
147.08035	0.7
147.11673	1.6
149.09624	0.4
149.13260	1.8
153.09142	0.2
157.10109	0.9
159.08112	0.2
159.11713	1.0
161.09618	0.9
161.13252	1.5
163.11163	0.7
163.14828	2.3
165.09137	0.3
171.11728	0.4
173.13251	0.8
174.88878	0.2
175.11299	0.3
175.14807	1.7
177.12866	0.3
177.16360	1.7
179.14299	0.2
185.13281	0.4
187.14839	2.2
189.12669	0.6
189.16386	3.0
191.14392	0.6
191.17902	0.5
193.12347	0.3
197.13248	0.3
199.09233	0.2
199.14809	0.4
201.16283	1.1
203.14255	0.2
203.17946	5.1
203.19754	0.4
205.12297	0.3
205.15837	0.7
207.10289	0.3
207.13747	0.8
213.16422	0.5
215.10786	0.3
215.17888	0.4
219.17444	0.3
223.16939	0.3
225.11197	0.6
227.18053	0.3
229.19629	0.3
235.16847	0.6
243.17465	0.3
247.16991	0.6
249.18668	0.3
269.11810	0.3
313.17993	0.5
315.12213	0.6
331.18933	0.5
333.13416	0.6
375.30402	0.6
393.31625	1.7
395.32974	0.3
411.32510	2.1
421.31000	0.4
439.21097	0.6
439.32062	0.8
457.22375	2.0
457.32867	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
51.85917	0.2
53.03944	5.0
67.05504	0.3
69.03428	0.3
70.96533	0.3
71.04996	0.3
72.81350	0.2
79.05496	0.2
81.03419	28.2
81.07038	0.3
91.05479	0.2
93.07057	0.4
94.91608	0.2
95.04969	0.3
95.08612	0.5
99.04464	0.3
105.07021	0.5
107.08600	0.7
109.02882	100.0
109.06529	0.6
110.03165	0.5
111.04409	0.4
111.08060	0.2
119.08569	0.6
121.10171	0.6
123.08076	0.8
124.08855	0.6
125.09637	2.8
127.03921	7.7
133.06503	0.3
133.10132	0.4
133.29356	0.2
145.06427	0.2
145.10089	0.3
157.10028	0.2
165.09094	0.2
173.13266	0.2
191.14255	0.6
191.16109	0.1
193.04884	0.4
207.10228	0.3
209.15364	0.2
210.41074	0.2
264.65775	0.2
269.11536	0.2
271.16879	0.2
287.12582	0.2
289.17606	0.2
295.16736	0.2
297.11215	0.4
315.12198	0.8
331.19003	0.3
333.13168	0.6
439.21283	0.3
457.22055	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01876	1.6
55.05521	1.8
57.03437	2.7
57.07067	2.4
67.05502	5.7
69.03430	9.8
69.07062	1.5
69.58788	10.4
71.05014	7.9
73.02914	2.7
77.71095	1.3
79.05491	5.8
81.03417	13.3
81.07055	6.1
83.04965	1.6
83.08635	1.6
85.02912	15.9
85.06547	3.5
86.09702	1.5
87.00834	6.0
91.05489	7.1
93.07061	6.7
95.04974	5.9
95.08589	7.0
97.02897	6.3
97.06548	4.3
98.97589	1.4
99.04468	6.4
105.01881	6.2
105.07042	17.9
107.08591	15.6
109.02885	31.3
109.06523	100.0
109.10152	26.4
111.08096	5.0
113.02346	1.5
115.87990	1.5
117.07039	2.2
119.08589	13.1
121.06515	2.5
121.10148	8.0
123.08076	11.0
127.03935	12.6
128.06207	2.3
129.07076	2.1
131.08571	13.6
133.06509	2.6
133.10135	28.1
133.11086	2.4
135.08064	38.8
137.09590	2.3
141.01842	1.6
143.08571	4.3
145.04984	4.4
145.10138	4.2
146.07307	2.0
147.08075	8.8
147.11705	2.8
149.09618	3.4
153.09117	5.4
158.10904	3.3
159.02798	2.7
161.09631	31.4
171.08063	1.2
172.18091	1.2
173.08138	2.9
173.13280	21.8
173.14713	2.2
189.09117	7.0
191.14311	80.5
207.10103	2.2
208.13588	1.6
208.23392	1.5
209.15379	46.3
225.11331	1.7
231.05075	2.5
281.13849	22.3
413.15176	3.7
457.14871	20.6
457.23483	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	457.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
53.03949	5.6
55.05508	0.2
67.05515	0.4
69.03431	1.5
70.62959	0.4
72.08165	0.3
79.05502	0.5
81.03419	32.0
81.07073	0.5
85.02914	0.6
85.06557	0.3
86.09686	0.2
87.00832	0.2
89.15589	0.2
89.97379	0.2
91.05473	0.3
93.07035	0.8
95.04972	0.3
95.08620	0.8
96.19766	0.2
97.02903	0.5
97.06527	0.3
98.20751	0.2
99.04444	0.3
105.01859	0.3
105.07034	1.0
107.08596	0.9
109.02883	100.0
109.06541	0.7
109.10162	0.3
110.03227	0.6
111.04434	0.4
111.08130	0.2
116.31330	0.2
119.08570	1.0
121.10152	0.9
123.08045	0.9
124.08851	0.5
125.09640	3.0
125.71320	0.2
127.03925	5.3
131.08615	0.2
133.06522	0.5
133.10117	0.7
135.08061	0.4
143.42078	0.2
145.04927	0.2
145.10135	0.4
147.08011	0.3
147.11754	0.2
149.09598	0.3
153.09076	0.3
159.08070	0.3
159.11696	0.2
161.09605	0.4
163.14908	0.2
165.09158	0.3
165.12791	0.2
171.11827	0.3
173.13246	0.4
175.01598	0.2
182.07556	0.2
187.14859	0.3
191.14323	1.8
193.04994	0.3
207.10252	0.3
209.15344	1.8
269.11517	0.2
313.18036	0.2
315.12222	0.6
331.19113	0.3
333.13272	0.5
413.17776	0.5
457.17026	1.4
457.22195	1.5
481.10858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.05510	2.7
56.85579	1.0
56.96570	1.0
61.39140	1.0
67.05501	2.2
69.03428	9.1
69.07085	1.5
69.27127	2.8
69.27540	9.7
79.05498	5.5
81.03416	6.0
81.07056	7.8
83.04989	1.5
85.02905	3.5
87.00830	1.5
89.95658	1.2
91.05460	5.4
93.07040	3.8
95.04967	1.7
95.08570	1.2
97.02903	8.1
98.97598	2.5
99.04448	1.2
105.01852	1.4
105.07008	7.4
107.04953	3.6
107.08592	18.1
109.02881	15.5
109.06524	4.1
109.10154	5.1
116.98578	1.2
117.03382	2.2
117.07024	1.9
119.08596	3.2
119.50399	0.9
121.06528	2.2
121.10132	8.7
122.07291	4.3
123.08106	1.3
124.50686	1.0
127.03920	4.8
131.08539	2.7
133.10130	100.0
135.04396	3.7
135.08058	6.4
135.11723	2.2
137.09613	52.3
145.02838	2.3
145.04939	1.4
147.11696	3.7
149.09674	1.2
149.13203	7.5
163.02559	1.3
163.03908	24.3
163.14793	1.1
167.03545	1.0
173.13353	6.6
175.07520	1.2
175.11227	1.5
189.09134	1.7
191.14305	63.4
192.14598	1.3
209.15378	4.2
211.80956	1.0
217.04616	1.2
231.06619	1.4
232.07074	1.6
237.02902	4.4
245.10637	1.5
269.10617	1.9
277.06989	2.5
371.13895	4.6
389.14905	6.9
413.15167	3.1
457.14713	17.9
473.15930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01865	2.7
55.05506	3.1
57.03431	2.5
57.07081	1.9
57.66302	0.7
59.05008	0.9
61.02919	1.6
65.03960	1.2
67.05510	4.1
67.81244	0.6
68.99821	1.3
69.03429	10.0
69.07063	4.5
70.06583	1.4
71.01359	0.8
71.04981	2.9
71.59128	1.1
73.02918	1.5
77.18019	0.6
79.05058	1.4
79.05495	18.6
81.03419	11.4
81.07060	48.9
83.04971	3.8
83.08636	5.6
85.02908	16.8
85.06551	1.9
86.09711	0.9
87.00838	5.0
87.04445	1.0
91.05470	6.1
93.07053	9.0
95.04982	7.1
95.08615	5.0
97.02906	10.1
97.06549	3.9
97.68047	0.8
99.04430	3.4
99.08185	0.7
103.03974	0.7
105.01868	3.9
105.07041	7.6
107.04957	1.6
107.08596	9.5
109.02888	11.1
109.06522	100.0
109.10163	7.0
111.04527	0.9
111.08099	4.0
115.03970	1.4
117.01862	1.1
117.06995	1.9
119.08595	5.5
120.80646	0.7
121.02853	0.6
121.06498	2.6
121.10163	7.7
123.08073	5.3
123.11720	5.1
125.05994	0.8
125.09623	1.3
127.03920	14.3
129.01859	1.0
129.07016	0.9
131.08548	9.7
133.05014	1.0
133.06503	1.0
133.09109	1.4
133.10138	28.9
135.04428	0.7
135.08063	10.3
135.11685	2.6
137.09627	1.9
139.07487	1.1
139.11182	1.7
143.08609	1.1
145.02873	0.9
145.04950	3.7
145.10143	2.2
145.12224	1.0
147.04413	1.7
147.08054	1.4
147.11728	3.1
149.06023	0.9
149.09695	1.5
149.13266	7.0
151.07497	1.0
151.11185	1.2
153.09087	7.4
158.10971	1.3
159.02930	3.2
161.05943	0.7
161.09636	0.9
163.03937	3.6
163.14857	2.0
167.14325	5.1
173.13274	18.4
175.11174	1.1
177.05551	1.7
178.08728	0.8
183.08154	0.8
189.09187	1.0
191.07060	0.8
191.14314	45.1
192.14731	0.7
193.12299	0.9
202.74440	0.8
209.08028	1.3
209.15363	26.2
213.04001	0.8
213.09137	1.4
231.04973	2.0
255.10298	1.4
273.09296	0.8
279.19162	0.9
283.02887	0.7
371.37485	0.7
413.17700	1.4
430.88269	0.7
439.19376	1.6
457.16617	3.9
457.24902	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.8
55.01858	6.3
55.05515	21.7
56.05841	3.3
57.03427	3.1
65.03938	3.4
67.05492	8.3
69.03426	17.6
69.07052	11.1
70.06586	6.2
71.04964	5.2
71.51931	3.6
71.52267	4.6
79.05499	24.2
81.03414	33.2
81.07063	46.5
81.37399	3.1
83.04964	11.1
83.08623	18.6
84.08951	6.6
85.02908	30.7
86.09715	24.6
87.00802	7.1
90.83257	3.0
91.01345	3.2
91.05479	7.8
93.07040	12.8
93.42553	2.9
95.04963	19.1
95.08591	9.8
97.02912	14.8
97.06509	4.9
98.97565	9.4
99.04427	5.1
100.07613	3.4
100.11267	51.4
101.07928	3.6
101.11585	31.5
102.11922	7.5
105.01894	3.5
105.07032	18.5
107.04982	5.1
107.08579	18.6
109.02139	4.6
109.02884	86.7
109.06521	100.0
109.10146	12.0
111.04435	12.4
111.08082	7.1
112.04817	3.4
112.99174	2.7
116.07076	4.5
116.98598	4.6
117.07059	4.8
119.08588	11.4
121.10152	10.8
123.08048	9.0
123.11723	4.4
127.03915	22.3
128.07074	5.4
131.04892	3.1
131.08553	14.8
133.10144	46.3
135.08043	18.5
135.09775	2.8
135.11714	7.2
139.11209	3.7
145.04950	4.4
145.10133	6.8
147.04462	4.7
147.11679	7.3
149.09637	7.3
149.13237	9.6
151.11156	4.6
153.09166	5.2
158.10925	3.9
159.02959	5.9
167.08563	19.7
167.14279	7.4
173.13278	30.4
175.11136	3.8
175.15021	3.6
181.06487	3.9
182.15433	6.2
183.08066	21.3
183.15771	11.8
184.16028	9.1
185.09631	22.7
191.08560	5.7
191.14308	67.6
194.07277	10.0
195.08038	16.4
197.09570	14.1
201.12421	6.9
203.05305	33.9
209.09634	25.9
209.15245	36.2
210.14854	5.0
210.16835	8.5
211.15187	7.9
211.17125	9.4
212.15526	8.1
212.17398	5.5
213.09105	35.9
213.15749	5.1
223.07651	6.3
225.09123	56.2
227.19447	3.5
229.11812	5.9
231.04987	3.2
237.02808	5.9
237.09068	26.9
239.10655	7.0
241.08594	20.2
246.14871	4.0
248.14491	4.2
255.10153	51.5
265.08633	12.1
277.17770	29.4
283.09531	18.3
314.51447	3.1
389.14825	13.8
431.15912	7.1
438.34402	15.3
439.13770	11.5
439.34521	15.3
456.35324	54.0
457.15765	12.7
457.23969	76.8
457.35452	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	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01849	0.5
55.05507	1.9
56.96572	0.7
57.07082	0.7
59.97050	0.4
67.05500	1.9
67.67268	0.5
69.03429	5.2
69.07058	1.5
70.91740	1.0
70.92075	1.0
71.04990	0.5
75.25394	0.4
79.05508	5.0
79.18118	0.5
81.03423	7.8
81.07060	6.9
83.04975	1.4
83.08621	1.0
85.02920	3.4
86.09718	0.9
87.00822	1.5
91.05484	4.4
93.07050	3.4
95.04964	1.9
95.08618	2.2
97.02905	1.4
97.06510	0.6
98.97596	1.1
105.01861	1.6
105.07034	6.6
107.04969	3.2
107.07867	1.1
107.08601	20.1
109.02886	20.1
109.06522	4.0
109.10165	5.9
115.05470	1.3
116.98629	0.6
117.07043	1.8
119.08605	3.3
121.06493	1.9
121.10150	10.4
122.07279	4.4
123.08058	1.7
127.03906	3.9
131.08574	2.7
133.10138	100.0
134.10495	1.0
135.08064	8.3
135.11679	1.6
137.09622	54.9
143.08627	0.6
145.05005	0.6
145.06448	0.6
145.10121	1.6
147.11726	2.6
149.09625	1.7
149.13274	9.8
158.10881	0.9
161.09599	1.4
161.13318	0.7
163.14841	1.8
163.95924	0.5
171.11592	0.6
173.13271	6.9
177.00778	0.9
177.05505	0.5
191.14317	59.9
192.14642	0.6
209.15422	3.8
213.04030	0.7
231.05086	0.9
403.17670	0.6
415.20078	2.1
421.18948	0.6
433.20999	0.9
439.20035	0.7
457.15280	0.8
457.21442	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18938	0.5
69.03423	0.6
70.06591	3.2
71.38802	0.9
72.08151	1.8
79.05517	0.4
81.03404	1.0
81.07053	1.1
83.45148	0.4
85.02925	1.2
86.09696	2.1
91.05476	2.5
93.07039	1.0
94.95798	0.5
95.08606	0.6
97.02888	0.5
98.97601	0.9
99.04508	0.7
105.07013	0.8
107.08614	0.7
109.02880	1.1
109.06551	0.6
109.10183	0.8
111.08119	0.5
116.98603	0.6
119.04964	2.9
121.10114	0.6
123.08100	0.7
127.03924	0.8
133.10130	0.8
137.06186	0.4
147.04414	8.9
149.09636	2.7
173.45415	0.5
174.97023	0.5
180.63144	0.5
191.10437	1.6
203.05275	1.8
209.11504	3.3
209.15416	0.9
211.99904	0.7
237.00612	0.6
237.02870	1.0
245.06355	5.4
287.03680	0.7
289.02017	0.6
289.05298	11.3
353.15811	0.9
371.16733	5.4
395.16858	1.1
413.17825	21.1
414.18304	0.7
431.09961	0.5
439.15891	0.6
457.16803	100.0
458.17294	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	457.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01869	3.6
55.05502	3.4
57.03427	5.7
65.03937	1.7
67.05488	4.8
69.03430	9.3
69.07057	2.1
70.06584	2.0
70.16834	6.6
70.40697	1.2
71.01333	2.4
71.04986	5.4
72.91599	1.2
73.02905	2.3
75.04457	1.7
79.05504	7.0
81.03418	20.2
81.07069	6.3
83.01353	2.0
83.08634	1.1
85.02911	10.7
86.09693	2.4
87.00832	1.6
91.05479	22.5
93.07039	13.6
95.01323	2.9
95.04958	4.6
95.08589	5.0
97.02908	8.2
97.06504	1.8
98.21436	1.3
98.97572	2.5
99.03928	1.4
99.04460	15.4
101.02372	1.9
103.05434	2.4
105.07035	57.6
107.04955	2.0
107.08617	12.0
109.02882	50.1
109.06519	23.1
109.10130	6.6
111.04404	2.1
111.08050	1.7
113.02377	1.5
115.05402	2.0
117.06997	4.7
119.04933	1.5
119.08588	38.0
121.06500	5.5
121.10144	3.7
123.08044	4.2
125.09621	1.4
127.03901	6.7
128.06203	5.4
129.01790	1.4
129.06975	3.1
130.04945	1.3
130.07787	1.7
131.03387	1.6
131.08559	13.5
133.06485	5.6
133.10132	70.1
135.04398	1.5
135.08061	11.3
135.11633	2.1
137.05983	2.7
139.11154	1.4
141.01860	6.0
143.08569	14.9
145.06474	1.8
145.10110	8.2
146.07295	5.8
147.08047	30.8
147.11595	2.3
149.05980	1.6
149.09608	2.0
149.13199	1.8
157.10110	2.0
159.02843	2.0
159.08044	5.2
159.11708	2.4
161.09624	100.0
162.09979	2.3
163.03926	5.6
165.06917	1.3
165.09123	3.4
171.07948	1.7
173.08087	7.1
173.09535	2.5
173.13237	8.2
179.10612	4.6
183.08058	1.4
187.07602	2.2
189.09111	18.8
189.16531	1.6
191.10667	1.3
191.14319	22.4
199.11223	1.5
207.10095	7.6
209.15401	11.4
211.11208	1.9
213.09021	1.5
215.10587	1.5
231.04922	1.6
237.09079	1.9
241.08516	1.9
255.10229	3.3
263.12799	2.7
281.13834	69.3
301.10562	1.6
359.94516	1.2
371.13751	2.6
413.15222	3.0
415.20349	3.1
457.15573	23.9
457.23358	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	457.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00269	0.5
56.85089	0.5
69.03429	0.6
70.06585	2.3
70.65294	1.5
71.04973	0.5
72.08156	0.7
79.05447	0.5
83.04997	0.7
85.02890	1.2
86.09666	1.1
91.05464	0.5
93.59373	0.4
97.02879	1.1
105.07021	0.8
131.81308	0.5
149.09573	0.8
163.03917	1.4
191.14268	0.5
198.09863	0.5
209.11534	5.4
227.05276	0.8
285.09531	1.2
289.05246	1.2
318.97833	0.5
323.45731	0.5
327.10538	1.7
369.11624	0.7
371.09650	1.0
371.16766	9.9
372.17212	0.6
395.16644	2.4
413.17816	26.3
414.18289	1.4
439.15591	2.0
457.16806	100.0
458.17142	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	457.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11184	0.5
70.06573	0.7
71.18164	0.6
77.44503	0.5
79.05498	0.6
81.03418	1.0
81.07046	1.7
93.07037	0.8
95.04977	0.5
104.20848	0.5
105.07018	0.6
109.02893	4.2
109.06499	0.7
130.34770	0.6
133.10143	0.6
173.09966	0.7
191.10443	2.3
203.05171	0.7
206.15466	0.6
209.08171	0.8
209.11497	9.0
227.05228	0.5
237.11035	2.1
245.06335	1.6
277.17764	1.0
289.05249	3.1
345.39331	0.6
353.15659	1.5
371.16797	12.2
395.17053	0.8
413.17834	28.9
414.18149	1.3
457.16791	100.0
458.17139	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	457.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.7
55.05489	2.2
56.96563	8.8
59.86384	1.8
69.03415	6.2
69.07047	1.8
69.59775	12.8
71.04977	1.4
79.05483	3.8
81.03418	26.4
81.07049	5.4
84.04501	3.2
84.96021	6.6
85.02883	4.7
91.05457	2.0
92.92249	1.7
93.07032	6.4
95.04959	3.0
95.08603	5.2
97.02921	9.1
98.20696	3.4
98.97581	37.2
102.97045	2.0
105.01875	1.7
105.07027	4.3
107.04978	2.1
107.08587	4.4
109.02879	100.0
109.10130	2.4
110.97567	4.4
112.99158	2.2
116.98617	24.6
119.08581	3.1
121.06551	2.4
121.10117	4.6
123.08064	1.9
127.03933	9.8
128.98618	4.4
130.04987	3.9
131.00186	8.1
131.08536	2.0
133.10068	2.2
134.99670	13.4
135.04382	5.3
145.02821	6.4
146.99670	6.2
147.07701	4.0
147.11714	2.1
149.01239	7.6
153.01834	4.5
158.99629	6.7
163.03920	37.4
165.09100	2.6
173.01218	3.6
173.13260	1.8
177.00735	8.4
177.16374	2.4
191.02278	5.2
191.17937	2.7
201.00633	2.1
201.16487	1.8
209.08069	22.0
209.15205	2.0
219.01779	7.9
227.09601	2.7
235.47566	1.7
237.02803	24.0
251.09454	12.6
255.03629	2.0
269.05997	1.8
269.10629	12.0
271.05002	3.8
281.10645	1.9
292.12372	2.6
293.10666	3.2
311.11670	3.6
331.96164	1.7
342.28931	1.7
371.13702	15.8
374.26773	2.0
389.14847	36.2
404.03616	1.8
412.16342	3.4
413.14789	10.6
431.15833	11.3
457.14688	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	9.0
64.34756	1.3
69.03400	1.9
71.24315	3.3
79.05485	1.8
81.03419	7.2
81.07034	2.2
84.96017	2.0
85.02876	4.8
91.05462	4.3
93.07052	2.9
97.02872	5.2
98.97568	12.4
99.00805	1.7
105.07018	8.4
107.08607	2.8
107.62471	1.3
109.02882	22.4
109.10104	1.4
110.97540	4.2
115.00675	1.3
115.29637	1.4
116.98595	6.7
119.08555	6.1
127.03897	1.4
128.98598	5.5
131.00185	1.5
133.01735	1.8
133.06465	2.1
133.10136	8.6
134.99661	2.3
145.02846	1.8
146.99631	3.4
147.11691	14.7
157.10103	1.9
163.03909	11.4
173.01309	1.5
175.11185	9.0
177.00720	3.7
187.06277	1.8
191.14365	3.3
196.05220	1.4
199.06308	1.5
219.01720	8.1
227.09534	3.7
237.02814	16.8
245.10655	9.8
267.15839	6.7
269.10629	4.1
281.10587	3.7
287.11572	1.8
299.11774	2.6
311.11554	1.9
350.61655	1.4
371.13788	18.2
389.14828	41.6
413.15100	12.9
431.15948	11.8
457.14673	100.0
458.15192	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.148
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
56.96561	5.6
64.90426	0.9
70.06577	1.3
71.59676	1.0
79.05489	1.0
81.03397	0.9
81.07032	2.0
82.65631	0.8
84.96028	1.8
85.02892	2.0
86.09707	1.9
90.13927	0.8
91.05480	1.1
95.08598	1.0
97.02882	3.5
98.97578	11.4
105.07014	2.0
107.08595	1.3
109.02858	3.2
109.06472	1.3
109.10126	1.3
110.97572	1.4
112.99129	1.1
115.30534	0.9
116.19852	0.9
116.98608	7.7
127.03924	1.1
128.98589	2.7
131.00179	1.6
133.10123	2.1
134.99626	2.5
135.04413	1.6
137.06084	1.1
145.02824	1.4
145.04973	1.1
146.99622	1.8
149.06012	1.1
158.99658	3.7
161.01155	1.0
161.09648	1.1
162.99200	1.0
163.03902	12.7
177.00697	7.5
191.02342	0.9
191.14366	1.2
205.93962	0.8
209.08499	1.1
219.01788	3.8
227.09570	3.4
237.02786	9.0
241.07314	1.1
245.10513	1.8
269.10571	2.7
281.13992	0.9
283.08490	1.4
287.11722	1.3
371.13675	9.3
389.14804	29.0
412.16299	2.0
413.14865	9.4
431.15918	11.7
457.14697	100.0
457.24438	2.5
458.14868	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	5.6
64.90426	0.9
70.06577	1.3
71.59676	1.0
79.05489	1.0
81.03397	0.9
81.07032	2.0
82.65631	0.8
84.96028	1.8
85.02892	2.0
86.09707	1.9
90.13927	0.8
91.05480	1.1
95.08598	1.0
97.02882	3.5
98.97578	11.4
105.07014	2.0
107.08595	1.3
109.02858	3.2
109.06472	1.3
109.10126	1.3
110.97572	1.4
112.99129	1.1
115.30534	0.9
116.19852	0.9
116.98608	7.7
127.03924	1.1
128.98589	2.7
131.00179	1.6
133.10123	2.1
134.99626	2.5
135.04413	1.6
137.06084	1.1
145.02824	1.4
145.04973	1.1
146.99622	1.8
149.06012	1.1
158.99658	3.7
161.01155	1.0
161.09648	1.1
162.99200	1.0
163.03902	12.7
177.00697	7.5
191.02342	0.9
191.14366	1.2
205.93962	0.8
209.08499	1.1
219.01788	3.8
227.09570	3.4
237.02786	9.0
241.07314	1.1
245.10513	1.8
269.10571	2.7
281.13992	0.9
283.08490	1.4
287.11722	1.3
371.13675	9.3
389.14804	29.0
412.16299	2.0
413.14865	9.4
431.15918	11.7
457.14697	100.0
457.24438	2.5
458.14868	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.148
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
53.03931	3.4
53.04179	1.0
56.96563	6.7
56.96803	1.1
69.91830	3.5
69.92244	2.4
76.35493	0.9
81.03416	16.7
81.75665	0.9
84.05574	1.0
84.29668	1.0
98.97587	10.9
109.02879	48.4
110.97575	2.7
112.99155	1.1
115.00704	1.8
116.98609	6.8
119.08557	1.2
125.09601	1.9
127.03919	4.0
128.30724	1.2
128.62851	1.1
128.98630	3.4
131.00183	2.2
134.99649	3.8
146.99672	2.9
149.01222	1.9
158.99696	1.1
170.99680	1.5
177.00728	3.1
187.06485	2.3
191.02278	1.1
201.00716	1.1
209.08315	1.3
219.01779	4.5
227.09554	3.4
237.02829	14.1
245.10608	9.2
269.10583	3.7
281.10678	3.1
287.11832	2.0
299.11838	1.6
311.11633	2.6
333.13626	1.2
354.66995	1.3
371.13785	18.1
389.14835	34.9
390.14902	1.4
390.91974	1.0
412.16431	1.5
413.15222	13.1
423.56970	1.3
431.15918	13.3
457.14719	100.0
458.14688	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	5.1
65.10759	1.2
70.06589	1.4
71.17871	2.8
81.03429	2.0
84.96056	3.7
87.52922	1.2
93.07049	2.1
97.02905	1.2
98.97587	24.2
98.98206	1.9
107.08635	1.4
109.02895	4.9
112.99162	2.8
115.17197	1.1
116.98615	13.0
127.03903	1.7
129.27289	1.1
131.00204	8.5
134.99651	6.9
149.01208	8.7
152.81161	1.2
158.99643	5.7
162.99155	1.5
173.01285	3.8
177.00725	12.6
177.05498	2.0
191.02280	9.5
195.01715	1.7
201.00848	3.3
209.08170	1.4
209.11549	3.0
219.01761	2.4
237.10956	2.1
251.09561	6.4
255.09200	1.9
265.11212	2.1
269.10571	10.4
283.12323	2.8
293.10727	4.7
311.11713	8.2
323.12024	1.4
325.13278	2.1
371.17090	13.1
380.90027	1.3
413.18091	29.6
439.15033	1.5
453.42123	1.4
457.16183	100.0
457.24075	6.5
458.16827	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03700	0.8
53.03949	6.2
55.01877	1.8
55.05510	0.7
57.03430	1.7
57.07078	13.9
57.07341	1.0
59.05004	100.0
60.05347	0.7
67.05522	0.6
69.03432	7.2
69.07074	0.7
70.92678	1.3
71.05011	1.4
73.02926	1.8
79.05508	1.0
81.03422	23.7
81.07067	1.6
85.02911	18.1
85.50114	0.5
86.03288	0.5
87.00835	6.5
93.84401	0.5
95.08666	0.9
97.02905	6.8
97.10173	1.1
99.04471	3.6
105.01868	7.1
105.07063	1.0
107.08602	0.5
109.02886	72.1
109.10211	0.7
111.04395	0.9
113.91058	0.5
115.11211	30.6
117.01872	0.5
117.09210	0.9
119.08601	0.9
121.10144	0.9
125.09653	2.2
127.03918	13.5
127.04804	0.9
127.52891	0.6
129.01854	1.3
130.63010	0.6
133.10158	0.9
137.58403	0.5
145.04984	3.3
147.63364	0.6
151.07550	0.6
159.02870	3.4
173.15399	5.2
191.16434	65.8
192.16859	0.6
231.05046	0.8
315.12335	1.0
456.29688	1.1
457.21716	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	457.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64049	1.0
56.96568	3.1
70.06586	1.3
71.20247	2.5
80.05711	0.9
81.03430	1.4
84.96043	4.5
85.02913	1.3
86.09715	1.7
93.07068	1.7
97.02900	1.0
98.97585	20.0
107.08620	1.7
109.02907	3.8
111.51633	1.0
112.99158	3.8
116.98623	14.7
127.03961	1.8
127.12056	1.0
131.00175	7.7
134.99652	5.7
146.99672	1.4
149.01213	6.6
158.99648	6.8
162.99242	1.7
163.03938	1.0
173.00040	0.9
173.01189	4.9
177.00705	11.8
177.01904	1.1
191.02299	8.9
191.36482	1.2
195.01842	2.4
201.00804	2.7
209.11612	3.4
214.03911	1.2
219.01846	3.0
233.03416	1.2
237.11044	1.5
251.09560	5.5
255.09326	1.0
265.11172	1.8
269.10648	8.1
283.12332	2.0
293.10791	4.5
311.11710	9.5
323.11813	2.4
325.13214	1.9
371.17032	10.5
395.16650	1.4
413.18015	28.5
414.17575	1.0
457.16132	100.0
457.24084	6.7
458.16351	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.5
55.01862	2.6
55.05508	1.5
57.03439	2.4
57.07075	15.7
58.16464	0.7
59.05003	100.0
61.02924	1.6
67.05506	1.4
69.03433	9.1
69.38725	2.5
69.39143	5.9
71.05003	2.1
73.02924	1.3
79.05501	1.5
81.03423	30.0
81.07048	3.2
83.04939	1.2
85.02424	1.6
85.02914	20.2
85.06490	0.9
86.03234	0.9
86.09673	0.9
87.00845	8.7
91.05470	1.7
93.07032	2.3
95.08602	3.5
97.02901	8.0
97.10215	0.9
98.09714	1.4
99.04443	4.0
100.07623	1.4
105.01856	7.1
105.07034	3.4
107.04933	1.0
107.08603	2.9
109.02885	85.0
109.06541	1.3
109.10154	1.2
115.11213	31.5
117.01877	0.8
117.03293	0.7
119.08584	2.7
120.25562	0.7
121.06528	1.0
121.10170	1.7
123.08111	0.9
125.09626	2.1
127.03917	17.6
129.01900	1.3
129.07068	1.2
131.08511	1.0
133.06517	1.1
133.10141	1.9
135.11716	0.9
142.51132	0.8
145.04950	4.3
145.10097	1.5
147.11699	1.3
148.11975	1.0
159.02911	3.2
159.11710	1.2
161.13335	0.8
163.03885	1.0
163.11182	0.9
173.13277	1.0
173.15372	6.0
191.16429	74.8
192.16737	1.1
193.14069	0.8
203.18025	1.0
207.13863	0.9
208.13995	0.9
231.04979	1.9
276.26904	1.2
279.42471	0.9
294.27856	1.2
456.22922	1.1
456.33627	2.6
457.21558	3.3
457.32770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01865	1.4
55.05512	1.9
57.03431	4.9
61.02930	8.2
62.12740	0.8
64.27541	1.0
67.05488	1.9
69.03427	15.2
69.07076	1.4
70.06594	3.9
71.01382	1.0
71.04983	2.4
71.58890	1.3
72.67506	1.0
73.02927	6.9
81.03426	5.1
81.07030	1.1
83.04961	1.4
83.08614	2.7
85.02904	100.0
86.09698	1.8
86.80310	0.8
87.04464	3.3
91.03961	6.2
91.05479	3.0
93.07003	1.6
95.01327	22.3
97.02891	28.9
98.97594	1.6
99.00850	1.9
99.04455	3.3
99.08104	1.0
103.03944	3.7
105.07038	1.6
109.02883	5.8
109.10171	2.6
113.02374	4.0
115.03948	2.1
116.98651	1.9
119.04949	5.2
119.07298	1.5
121.06416	1.0
127.03919	31.6
127.11230	0.9
131.03432	1.9
133.04974	0.9
134.05974	1.5
134.99649	0.9
136.07581	1.5
141.01822	70.1
145.04962	64.5
147.04399	16.9
148.04755	1.4
159.02879	12.7
161.05998	2.5
163.03966	2.2
163.06023	31.3
177.00754	1.3
177.03975	5.8
177.05504	4.0
178.05823	2.0
180.08807	0.9
181.07030	1.4
188.07077	1.5
188.55121	1.0
204.08458	1.0
219.01764	1.0
237.02911	1.9
285.05933	1.4
294.10739	1.7
303.07220	1.7
315.13400	3.4
321.08121	5.5
339.09274	1.1
414.78564	1.2
429.10840	1.6
456.14838	29.4
456.21625	2.7
456.54257	0.9
457.15747	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
51.78452	2.5
55.05515	10.7
67.05507	17.8
69.07063	12.4
71.59962	2.8
71.60363	4.1
79.05495	15.9
81.07055	27.2
83.04987	4.4
83.08634	6.6
83.74444	2.5
85.02908	5.2
91.05468	14.4
93.07055	25.2
93.81689	3.0
95.04990	3.4
95.08610	46.2
97.10176	4.3
105.07030	27.7
107.08600	36.2
109.02816	2.9
109.06552	3.3
109.10160	22.7
111.08089	5.0
117.07023	3.5
119.08588	35.5
121.10151	30.5
123.11725	8.1
125.09737	2.5
127.03915	2.7
131.07706	2.8
131.08572	14.9
133.10138	33.3
135.11708	16.7
137.09625	3.3
143.08588	5.4
145.10123	19.1
147.11694	24.9
149.09644	4.7
149.13264	15.6
157.10175	4.7
159.11670	15.1
161.09731	3.2
161.13260	16.5
163.11243	5.1
163.14810	15.8
171.11710	6.7
173.13268	5.2
175.11252	4.8
175.14816	13.7
177.16426	17.1
185.13356	5.1
187.14832	17.2
189.12746	2.9
189.16417	32.2
191.17963	9.2
201.16373	14.1
203.17970	55.8
205.15851	18.5
207.17439	3.4
213.16412	5.3
215.18068	8.1
217.15779	3.0
219.17378	3.8
228.62111	2.5
229.19511	4.2
233.18954	2.8
235.17059	6.8
241.19630	5.1
249.18492	5.0
261.18796	4.0
306.04254	2.6
391.33798	8.1
409.34702	35.6
419.32816	4.7
425.34448	6.6
437.34164	40.2
455.35300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.6
56.96561	7.1
57.03415	4.3
57.07061	4.5
65.10564	3.6
67.05510	23.1
69.07064	26.2
69.83583	21.2
79.05495	17.9
81.07061	38.9
83.08607	11.1
87.58120	3.6
91.05489	14.6
93.07047	30.3
95.08607	63.5
97.06557	5.9
97.10138	4.8
105.07027	37.8
105.44872	3.8
107.08595	56.7
109.10155	40.8
111.08045	7.9
117.06984	4.5
119.08585	100.0
121.10159	46.7
123.11730	11.1
125.09618	4.3
131.08556	17.3
133.10150	52.0
135.11710	27.8
137.13217	5.2
143.08562	5.6
145.10126	38.3
147.11696	32.2
149.13269	20.5
157.10112	9.0
159.07985	6.0
159.11697	36.2
161.13268	26.8
163.11165	4.9
163.14825	19.5
171.11739	7.4
171.91168	4.0
173.13272	13.1
175.02826	7.5
175.14818	17.8
177.16373	13.0
179.14259	5.8
185.13258	4.9
187.14838	38.3
189.16362	45.8
191.17958	43.0
191.73708	4.2
195.45297	4.1
199.14842	9.2
201.16400	47.5
203.17973	44.1
205.15930	16.8
207.17593	6.7
213.16478	5.9
215.17996	18.6
219.17488	4.7
229.19550	8.3
233.15216	9.5
247.16928	25.6
261.18573	8.8
283.28299	8.2
287.20212	4.7
301.21347	5.3
369.96735	4.6
391.33533	9.3
409.34573	13.3
437.34146	37.0
439.89160	4.1
455.21881	22.6
455.35532	32.5
473.21448	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.6
57.07078	2.5
61.97510	2.7
67.05492	5.9
69.07069	14.8
69.46506	22.6
79.05492	6.4
81.07062	15.8
83.08619	7.2
91.05467	5.8
93.07040	18.6
95.08612	22.3
97.06549	2.7
97.10139	2.7
105.07018	17.4
107.08595	33.9
108.77287	2.4
109.10144	11.6
109.10818	2.4
113.09608	3.0
119.08588	29.0
121.06535	2.4
121.10135	17.0
122.25109	2.0
123.08064	5.7
123.11676	4.1
125.09576	2.7
131.08563	5.5
133.10129	37.5
135.08043	6.4
135.11690	36.2
137.09651	2.4
145.10117	8.6
147.07961	2.9
147.11673	14.8
149.09665	8.1
149.13275	5.7
151.11208	3.8
157.10223	2.2
159.11705	2.7
161.13286	6.5
163.07549	9.4
163.14809	19.5
164.94699	2.0
171.11757	2.4
172.04007	2.3
173.09732	2.9
173.57805	2.1
187.14835	8.1
189.16376	67.1
203.17973	3.1
205.15932	13.8
207.17441	100.0
228.36259	2.2
233.15361	60.4
243.17540	3.6
251.16391	15.0
300.69174	2.5
402.10284	2.6
437.34167	4.3
455.35284	93.5
455.69324	2.6
456.35568	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99628	3.9
55.05517	22.2
56.96562	14.8
57.03424	5.5
57.07073	5.0
65.03935	5.4
67.05502	26.9
69.07049	22.7
71.05002	5.2
71.58225	4.2
71.58601	5.0
79.05487	16.4
81.03421	6.2
81.07063	47.9
83.04986	12.6
83.08627	8.9
85.02882	8.1
91.05474	26.5
93.07051	29.8
95.04986	7.4
95.08616	66.9
97.10154	5.0
98.38799	4.5
99.08105	4.9
105.07022	43.1
107.04904	6.0
107.08601	58.3
109.02861	5.7
109.06532	8.8
109.10162	49.8
111.04435	4.6
111.08046	7.1
117.07012	10.3
119.08582	57.0
121.10125	48.0
123.08059	4.2
123.11707	13.2
131.08569	11.7
133.10120	46.5
135.08113	4.9
135.11649	20.9
143.08549	5.5
145.10126	30.1
147.04413	11.9
147.11682	39.2
149.09671	7.4
149.13231	18.1
153.09145	5.7
157.10219	6.9
159.11717	18.1
161.09697	5.2
161.13255	24.1
163.11211	5.8
163.14813	29.5
167.06989	11.3
167.52376	4.2
171.11653	7.2
173.13243	14.3
175.02769	7.8
175.14804	20.4
177.16399	30.5
185.13266	7.6
187.14868	25.8
189.16370	58.0
191.17876	9.6
201.16380	26.8
203.16055	6.0
203.17949	100.0
204.09238	5.6
205.15848	27.9
205.19547	5.5
207.17450	10.1
215.17897	10.6
217.19594	5.6
219.10313	5.9
235.17099	7.2
249.18565	8.0
353.13879	14.5
354.69800	16.8
355.19843	11.7
391.17856	8.5
391.33539	15.2
409.19003	9.0
409.34735	69.0
437.34387	27.7
455.25354	23.4
455.35245	20.3
476.30820	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	fatsicarpain D
Peak:m/z	Relative Intensity
54.45835	2.2
55.05505	8.3
57.07066	4.9
62.36065	2.3
66.15778	2.3
67.05502	12.5
68.13612	1.9
69.07065	12.9
69.68517	3.0
69.68928	11.9
71.04990	7.7
75.03783	1.8
79.05479	11.5
81.07053	29.1
82.23681	2.4
83.04951	3.7
83.08622	9.2
85.02906	11.9
85.14080	1.9
91.05484	11.2
93.07048	24.5
95.04971	2.8
95.08608	53.7
97.02852	2.4
97.10167	4.1
98.21487	2.6
105.07022	35.5
107.08591	48.8
109.02863	2.2
109.06545	3.1
109.10155	37.7
111.04443	3.6
111.08079	19.3
111.09318	2.5
117.07071	3.9
119.08579	43.1
120.15707	2.0
121.06538	2.3
121.10136	40.4
123.08102	2.0
123.11722	14.9
125.13207	2.2
129.05463	2.6
131.04884	2.8
131.08589	9.4
133.10123	45.3
134.28845	1.8
135.11681	23.7
137.06020	2.3
137.09668	3.4
137.13255	4.5
138.84770	1.9
139.11214	3.1
140.95947	1.9
143.08612	2.1
145.10103	18.9
147.11690	41.4
149.13251	31.0
151.07588	2.4
151.11162	3.0
153.09145	2.2
157.10138	3.7
159.11711	17.0
161.13245	23.9
163.07411	3.3
163.11212	6.1
163.14807	26.1
171.11758	3.1
173.13237	13.9
175.14832	28.4
177.16383	39.5
184.70724	2.2
185.13234	5.2
187.14812	23.0
189.12846	3.2
189.16383	57.5
190.13553	2.8
191.17955	13.2
201.16394	28.3
203.17957	100.0
205.15869	36.4
205.19481	6.1
207.17450	16.4
213.16330	6.0
215.17906	16.2
217.19476	2.3
219.17450	6.6
221.19075	4.8
227.17889	2.5
229.19539	5.0
231.17357	4.9
233.18918	2.7
235.16794	10.3
241.19516	3.8
243.21138	2.8
247.16913	5.5
249.18555	15.0
261.18478	3.7
282.13593	2.0
329.24979	3.4
391.33481	15.3
397.31030	5.8
409.34641	96.8
410.34784	4.0
419.33151	2.3
425.34311	4.0
436.14291	2.3
437.28751	3.3
437.34265	28.9
455.35260	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	18.5
56.96577	6.5
57.03424	5.6
65.03932	4.8
67.05508	52.9
69.07068	27.7
71.57765	11.2
79.05495	34.2
81.07053	75.9
83.04988	6.5
83.08604	18.0
85.06569	4.9
88.98162	5.4
91.05489	33.2
93.07037	64.6
95.04968	11.5
95.08604	100.0
96.40192	5.0
97.10163	4.8
105.07040	60.1
107.08588	67.7
109.06507	13.9
109.10155	57.8
111.08079	76.8
111.11700	5.6
117.06965	6.3
119.08581	74.8
120.96613	30.4
121.10156	61.2
123.08043	5.2
123.11700	15.0
127.69564	4.9
131.08585	17.4
133.10120	48.9
135.08060	6.5
135.11690	25.8
137.13231	8.9
139.11169	6.0
143.08575	9.2
144.09398	6.3
145.10149	40.0
147.11682	65.8
149.09714	5.5
149.13249	46.6
157.10143	10.5
159.11699	34.0
161.13248	56.2
162.24190	5.3
163.14832	35.0
165.09074	5.8
171.11635	6.1
172.95256	11.1
173.13246	29.1
174.98482	5.8
175.14821	28.9
177.16402	34.7
185.13280	5.2
187.14801	25.6
189.12717	5.8
189.16406	87.9
190.96326	12.9
191.14325	6.6
191.17940	20.8
199.14951	6.8
201.16385	51.6
203.17979	80.2
205.15866	10.3
207.17459	14.6
212.61053	5.4
213.16371	5.0
215.17981	23.9
217.19492	7.8
219.17447	12.8
221.18996	11.5
228.97916	5.9
233.18961	7.1
235.16933	11.8
249.18483	7.0
261.22256	7.7
275.16519	6.2
283.28265	41.3
329.29306	5.7
335.25769	38.9
336.09641	9.7
351.30588	8.7
355.18732	11.7
357.23892	19.0
367.19083	5.6
391.33658	7.0
394.08475	6.0
409.34607	69.0
425.34180	10.8
437.34225	54.9
455.22562	44.9
455.35724	35.3
473.19684	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	455.352
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.03951	4.5
55.05504	18.1
59.87869	3.8
67.05515	21.4
69.07086	26.8
71.60233	4.4
71.60609	6.1
79.05496	19.5
81.07054	63.5
83.04969	7.2
83.08617	12.2
91.05475	23.1
93.07042	44.2
95.04977	6.5
95.08609	99.3
97.06547	5.0
97.10149	6.2
105.07034	62.1
107.08594	74.9
109.02878	6.7
109.06476	8.8
109.10154	57.6
111.08091	49.3
117.07043	5.1
119.08588	73.9
121.10152	59.7
122.72892	4.1
123.07984	4.5
123.11687	16.3
125.09585	6.5
127.03891	4.7
128.10487	4.6
131.04994	4.3
131.08551	21.1
133.10153	49.8
135.11707	28.9
139.03621	7.7
143.08591	10.3
145.10120	44.5
147.11681	67.3
149.09628	6.7
149.13272	57.1
157.10121	11.8
159.11684	24.4
161.13275	33.6
163.11172	7.5
163.14839	26.0
165.09113	6.1
171.11748	6.7
173.13341	19.5
175.14796	32.2
177.16389	35.0
185.13203	6.8
187.14809	35.6
189.16376	66.9
191.17931	17.8
199.14897	8.1
201.16438	31.5
203.17958	100.0
205.15894	23.5
205.19571	14.5
207.17403	24.0
213.16403	8.6
215.17952	20.7
217.15913	8.4
217.19527	6.4
219.17380	11.5
221.18848	10.2
229.19522	5.0
231.17549	6.8
233.18954	5.3
235.16924	12.3
247.16905	7.2
249.18474	22.8
339.19272	17.1
391.33496	13.2
397.30554	7.8
409.34686	95.0
425.34219	9.4
437.34119	42.4
455.24066	79.3
455.35245	68.2
456.24814	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
53.03957	4.1
53.10324	3.1
54.31468	3.1
55.05508	18.9
56.04342	3.1
56.22891	3.1
56.96576	16.0
57.07059	4.4
59.74433	3.2
60.02000	2.8
66.11858	2.8
67.05497	17.7
67.19410	3.6
69.07076	16.5
71.61608	4.7
71.61977	3.6
73.78516	3.2
79.05499	13.1
81.07061	26.7
83.04978	6.0
83.08624	9.9
85.02892	4.9
91.05495	17.8
93.07043	29.6
95.04992	4.4
95.08613	57.1
95.09169	5.6
96.35993	3.1
97.10191	4.5
98.97552	4.7
105.07054	28.0
107.08612	59.5
109.10154	37.5
116.98627	4.5
117.07051	6.1
119.08591	49.1
121.10136	45.3
123.08097	4.2
123.11702	14.2
125.09639	6.0
131.04942	3.5
131.08580	10.8
133.10147	38.0
135.08061	4.5
135.11708	23.0
139.03824	3.1
143.08565	4.8
145.10193	17.9
147.11682	31.6
149.09650	3.8
149.13231	16.7
151.11261	5.5
158.04926	3.3
159.11713	14.1
161.09552	4.0
161.13229	20.5
163.11191	8.1
163.14818	24.7
167.10616	4.2
169.10104	3.9
171.11755	4.5
173.13254	11.2
175.11337	3.4
175.14859	29.0
177.12775	4.0
177.16403	31.2
185.13313	3.6
187.14838	22.6
189.16374	51.8
189.17900	5.1
191.17996	12.5
199.14966	4.0
200.70724	3.5
201.16393	19.4
201.91255	3.1
203.17958	100.0
205.15880	32.9
207.17487	7.7
213.16403	6.1
215.17950	9.3
217.15970	3.9
217.19586	5.7
219.17476	9.1
221.19144	4.9
227.17912	3.3
229.19681	5.1
235.16916	8.1
247.17018	5.7
249.18343	16.7
283.24255	5.0
354.19693	8.0
354.69714	16.1
391.17731	4.9
391.33618	13.0
409.19098	8.0
409.29550	5.3
409.34668	80.1
437.34171	31.5
455.24463	21.6
455.35355	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	455.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.0
60.13919	1.0
69.07072	2.4
69.58658	2.2
69.59059	6.5
81.07053	2.2
83.08611	1.2
88.00503	1.1
93.07054	1.4
105.07001	1.3
107.08607	1.4
109.10146	1.9
114.37434	1.0
119.08588	2.7
121.10130	2.4
139.03656	14.4
339.19296	100.0
340.19522	2.3
357.20328	10.0
380.21939	20.7
455.24060	96.5
456.24158	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.4
59.22477	1.1
67.05491	1.3
70.94538	2.9
79.05491	1.8
81.07035	2.9
83.04985	1.2
88.14581	1.0
88.98995	0.9
91.05493	1.1
93.07036	1.5
95.08592	4.4
95.60125	0.9
105.07030	3.3
107.08600	2.5
109.10149	4.3
119.08577	4.1
121.10159	2.9
123.11697	1.3
131.08612	1.2
133.10143	1.4
135.11725	1.8
139.03668	12.9
145.10155	2.2
147.11699	1.3
159.11754	1.4
161.13176	1.1
175.02838	1.1
189.16266	1.3
201.16426	1.3
321.64886	1.0
339.19302	93.9
340.19577	1.3
357.20319	10.8
380.22015	19.7
437.33963	2.1
455.24063	100.0
455.35040	4.3
456.24646	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
56.96566	0.6
67.05492	2.5
69.03400	0.6
69.07060	1.3
71.04960	0.7
79.05477	1.5
81.07055	3.6
83.04977	2.0
85.02895	1.0
91.05475	2.2
93.07041	2.8
95.08604	4.0
105.07035	2.5
107.08607	3.2
107.09194	0.7
109.10167	3.2
117.07007	0.8
119.04971	0.7
119.08601	3.2
121.10161	2.3
123.11658	0.9
131.08617	0.8
133.10147	2.5
135.11685	1.8
137.09639	1.0
139.03658	8.2
143.08572	1.0
145.10158	1.6
147.04349	0.7
147.11696	3.2
149.13280	1.4
157.10281	0.6
159.11714	1.0
161.09688	1.1
161.13255	0.9
163.14755	0.9
169.70844	0.7
173.13242	1.3
175.14792	1.2
177.05487	0.7
177.16331	1.4
183.11597	0.6
187.14890	1.1
189.16388	2.2
191.17938	0.6
201.16241	0.8
203.17986	3.2
213.16464	0.6
279.26447	0.6
283.79312	0.6
339.19305	24.4
343.32355	0.9
349.72098	0.7
357.20413	3.8
361.35709	0.7
380.22137	5.0
409.34644	1.6
455.24060	100.0
456.24344	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2401
Annotation	Trp Ile His
Peak:m/z	Relative Intensity
55.05504	0.9
56.96555	0.5
57.07068	0.4
60.99945	0.3
67.05497	1.1
69.07063	0.7
69.98440	1.7
70.25626	0.3
70.76785	0.3
71.04969	0.3
71.08616	0.4
79.05501	0.6
81.07044	1.0
83.05003	0.4
83.08604	0.5
85.02903	0.5
85.40096	0.3
91.05482	1.0
93.07045	0.9
95.08591	1.4
97.02856	0.5
105.07041	1.2
107.08605	1.2
109.06551	0.3
109.10154	0.6
111.59465	0.3
116.98621	0.3
119.08598	0.9
121.06546	0.4
121.10146	0.7
123.04250	0.4
131.08533	0.6
133.10141	1.2
135.08035	0.6
135.11653	0.8
139.03680	4.5
145.10052	0.6
147.11684	0.6
159.11708	0.7
161.13321	0.3
163.67975	0.3
171.11736	0.4
175.02777	0.5
175.14705	0.4
185.13148	0.3
189.16327	0.4
193.04021	0.4
203.17860	0.3
235.14990	0.3
274.60532	0.3
333.99475	0.3
334.16891	0.4
339.19299	20.5
340.19556	0.5
346.23184	0.6
355.14536	0.5
355.18787	6.7
357.20389	2.7
373.19598	0.6
380.21976	4.4
391.15619	1.1
396.21530	1.1
409.34717	0.3
455.24039	100.0
456.24371	2.6
471.20551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01064	0.7
59.01374	0.5
69.79932	3.9
71.55458	0.5
76.22026	0.5
76.57491	0.5
78.16116	0.6
79.57566	0.5
94.93002	2.1
98.21450	0.8
102.55161	0.7
110.81515	0.5
112.89613	12.8
116.09621	0.6
144.57480	0.6
164.29387	0.6
202.89116	2.1
204.91479	0.5
212.85153	1.8
264.40445	0.6
284.83777	1.1
318.90109	1.7
372.27682	0.6
455.11636	100.0
456.11917	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	455.1528
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
55.01881	0.4
56.96559	0.5
66.32423	0.4
68.94101	0.3
68.97189	0.3
69.03430	1.2
70.06580	1.1
70.27983	0.3
71.04996	0.5
71.15150	0.6
71.15492	0.6
81.07064	0.4
83.04986	0.5
83.08640	0.3
84.08132	0.4
85.02912	1.8
85.54238	0.4
87.04445	0.5
87.05610	0.4
91.05493	1.0
93.07046	2.2
97.02890	1.1
97.06516	0.5
98.97647	0.4
105.07049	0.5
107.08605	1.2
115.03851	0.4
117.03338	0.4
119.04918	0.9
121.06478	0.9
127.03919	0.5
134.99696	0.6
135.11684	2.1
145.02876	1.7
147.04424	2.8
148.04816	0.8
149.02129	0.5
153.12791	1.0
158.76912	0.5
159.65915	0.4
170.08200	0.6
177.05493	2.3
181.45186	0.4
229.73946	0.4
233.09471	1.3
235.07625	0.5
237.02959	0.6
251.10495	1.1
263.07172	0.5
281.08371	0.5
323.10022	1.0
329.08554	0.6
455.15390	100.0
456.15790	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	455.2193
Annotation	(-)-10-Methoxyvincamedine N-oxide
Peak:m/z	Relative Intensity
54.10369	2.7
55.91567	3.1
56.96566	20.2
67.26127	3.0
68.59406	3.5
70.18896	12.8
70.75553	3.0
71.55470	3.1
81.35491	3.5
90.73872	3.3
130.69331	3.3
131.71538	3.0
175.02811	29.5
193.03802	15.7
283.28146	9.0
455.21906	100.0
456.22104	4.6
473.22025	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	455.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	10.5
59.06132	0.9
61.90037	0.6
62.08607	0.6
66.40867	0.7
67.05487	1.0
69.80991	4.4
71.08105	0.6
71.95226	0.7
81.07084	0.9
93.07048	1.1
95.08604	1.5
96.93241	0.7
98.20802	0.9
98.97580	10.5
104.99252	4.6
105.07058	1.2
107.08556	0.7
109.10129	1.3
116.98612	13.9
119.08604	1.5
131.08597	0.8
134.99667	8.9
139.03650	14.3
139.99205	0.7
140.00201	1.1
153.00713	1.9
158.01285	1.1
175.02815	7.6
176.03207	1.5
185.13257	0.7
193.03857	6.0
194.04259	0.8
198.04440	1.4
223.68126	0.7
240.98715	1.0
256.96680	0.8
258.99628	4.2
274.97614	2.9
277.00800	12.0
277.03696	0.9
282.01572	1.6
290.94818	3.3
292.98654	3.4
297.99121	0.8
300.02493	2.0
308.95972	1.5
339.19299	81.8
340.19632	2.1
341.96109	0.9
357.20401	10.5
380.21948	21.0
432.21783	1.3
432.96014	3.0
450.22620	0.8
455.24066	100.0
455.97531	1.0
456.24448	2.0
473.22369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30574	0.4
56.96569	0.4
69.55784	2.7
85.02878	0.4
112.89607	33.9
116.64756	0.4
116.98687	0.5
119.01917	0.6
147.04453	0.7
156.04256	0.6
161.02995	0.4
212.01973	0.4
245.05043	1.1
263.06372	0.4
275.06210	0.4
455.11639	100.0
455.22003	2.4
456.11850	3.0
456.28564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.4
56.96572	4.6
57.03439	8.1
57.07078	23.2
57.07371	1.2
62.83879	0.7
67.05497	5.1
69.07072	4.1
70.44551	2.2
71.08632	15.8
79.05479	1.1
81.07054	7.9
83.08617	4.9
85.06492	0.7
85.10188	8.9
89.06036	1.3
89.39212	0.7
93.07054	1.4
95.08613	9.3
97.10171	1.8
103.07563	1.1
105.06996	0.9
107.08593	1.4
109.10178	4.9
113.77362	0.7
119.08543	0.9
122.10494	0.7
123.11723	1.6
139.67389	0.8
156.97495	0.7
157.01752	0.8
169.10100	0.8
175.02782	6.5
193.03767	3.9
198.04391	1.2
228.37494	0.8
239.23714	1.2
257.24631	1.0
282.27832	8.0
303.97159	0.7
313.27377	100.0
314.27740	2.2
348.87537	0.9
366.62332	0.7
379.17715	0.7
388.27777	0.8
431.20978	2.0
449.22076	2.3
454.22873	1.0
455.21683	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05516	5.9
57.03450	0.5
57.07060	1.6
65.03926	1.0
67.05508	8.4
69.07066	5.2
70.03796	1.4
70.04193	0.6
72.94687	0.5
79.05487	5.2
81.06635	0.7
81.07064	7.9
83.04977	1.0
83.08618	4.2
91.05479	6.3
93.07046	13.4
95.04979	1.2
95.08611	48.5
96.08916	0.6
97.02865	0.5
97.10157	3.1
105.07040	10.0
107.04977	1.0
107.08603	19.0
109.06554	0.9
109.10160	12.7
111.04462	3.0
111.11733	0.9
112.55898	0.4
115.05412	0.5
117.07001	2.1
119.02064	0.4
119.08584	15.4
121.06512	1.1
121.10149	15.8
123.08082	0.8
123.11713	6.2
125.05975	3.1
128.06184	0.4
129.07002	1.3
131.08582	4.9
133.06500	0.6
133.10135	12.2
134.10838	0.5
135.08049	0.9
135.11703	10.6
137.06006	1.6
137.13303	1.4
139.07536	1.0
141.06976	0.8
143.08574	4.4
145.10117	9.3
147.08076	1.2
147.11710	9.0
149.05984	0.6
149.13252	4.9
151.07556	1.6
153.09149	0.6
156.09265	1.1
157.10150	6.0
159.11702	8.3
159.12993	0.6
161.09636	2.5
161.13229	6.5
163.07463	0.6
163.11143	0.7
163.14809	2.1
165.09143	2.1
169.10114	2.0
171.08078	0.6
171.11676	5.8
173.09615	2.6
173.13266	4.3
175.11156	1.2
175.14812	1.9
177.09087	1.0
177.16418	0.7
179.10686	2.5
183.11700	1.3
185.09637	1.4
185.13266	5.7
187.11189	5.5
187.14807	2.9
189.09113	1.0
189.12782	0.6
189.16444	0.7
191.10660	3.7
191.17911	1.0
193.12305	0.8
195.11694	0.7
197.13281	1.0
199.11182	2.4
199.14830	3.5
201.12701	2.4
201.16403	3.7
203.10696	2.1
203.14304	0.7
203.17923	4.4
205.12233	7.0
207.13840	1.4
209.13287	0.9
213.12776	3.5
213.16367	1.3
215.14418	0.7
217.12222	2.9
217.98921	0.5
219.13794	3.9
223.14798	0.7
227.14343	1.9
231.13789	9.0
233.15434	1.1
239.17976	2.5
241.15787	0.8
241.19548	2.7
245.15350	5.4
255.21086	6.4
257.22577	1.3
259.16943	1.1
265.19589	1.7
273.22461	0.6
283.20578	10.8
284.20837	0.6
301.21628	100.0
302.22012	1.6
454.29633	1.5
455.23257	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	454.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03143	1.1
53.03911	1.3
55.05499	3.2
56.05011	1.0
56.96558	1.2
57.03418	1.3
59.04983	2.4
65.03923	4.3
67.05489	4.1
67.42120	1.1
69.03406	4.3
69.07064	7.8
70.06590	23.2
71.04992	13.8
71.30488	1.1
72.08160	1.9
73.02888	1.2
73.06546	1.7
79.05481	4.3
81.03406	3.6
81.07056	16.9
83.04975	2.9
83.08604	1.6
84.08135	2.4
85.02891	7.3
85.06525	1.6
86.09698	20.2
87.00825	4.8
87.10034	3.4
91.05474	16.6
92.05799	4.3
93.04156	1.1
93.07039	12.0
95.04954	2.9
95.08573	4.8
97.02879	4.1
97.06544	1.5
97.93452	1.0
98.97591	1.6
99.04437	2.1
104.10729	1.2
105.01869	8.9
105.06996	1.7
107.04966	1.7
107.08585	10.0
109.02883	3.8
109.06515	2.3
109.10153	5.1
110.07189	1.9
111.04420	1.7
111.07986	1.6
115.92025	1.4
116.07072	7.7
116.98612	1.8
119.04941	24.0
119.08537	2.1
120.05280	9.9
120.08067	6.6
121.08459	2.3
123.11690	1.9
127.03934	10.2
131.08519	1.3
133.10114	1.6
135.11681	19.5
141.12740	2.0
145.02866	2.9
145.04968	3.7
147.04411	61.9
148.04741	35.1
149.04912	1.5
152.05667	2.4
153.01805	10.8
153.12743	100.0
154.13036	2.6
163.03900	3.1
165.05489	1.2
167.06989	2.9
171.13792	8.5
177.05478	4.5
184.07341	9.9
218.37819	1.1
220.13817	1.4
231.04828	1.5
237.02780	1.5
249.06108	1.6
274.12842	2.1
285.03964	3.3
331.18185	1.6
445.80258	1.3
454.13782	1.9
454.21454	2.4
455.06125	1.9
455.14886	1.9
455.18948	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05501	1.9
56.96561	4.1
57.03436	3.6
57.07077	19.5
62.06098	25.5
66.02899	1.3
67.05496	3.0
67.08909	1.3
69.07063	3.8
71.08641	14.4
71.18553	3.0
75.54892	1.3
81.07055	5.4
83.08624	4.5
85.10198	9.6
89.05994	1.6
90.31659	1.5
93.50280	1.2
95.08610	7.4
97.10201	2.1
98.98473	4.6
109.10162	2.9
142.02646	1.8
155.01044	4.8
175.02812	5.4
175.93314	1.3
193.03879	3.8
200.28224	1.5
216.06387	1.5
263.30722	1.2
282.27911	10.7
294.32605	1.4
313.27383	100.0
314.27713	3.1
340.83713	1.5
393.24155	6.5
403.61597	1.3
431.20947	3.9
436.28201	5.8
440.61365	1.6
449.21609	2.0
454.29108	2.5
455.21680	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	454.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03143	1.1
53.03911	1.3
55.05499	3.2
56.05011	1.0
56.96558	1.2
57.03418	1.3
59.04983	2.4
65.03923	4.3
67.05489	4.1
67.42120	1.1
69.03406	4.3
69.07064	7.8
70.06590	23.2
71.04992	13.8
71.30488	1.1
72.08160	1.9
73.02888	1.2
73.06546	1.7
79.05481	4.3
81.03406	3.6
81.07056	16.9
83.04975	2.9
83.08604	1.6
84.08135	2.4
85.02891	7.3
85.06525	1.6
86.09698	20.2
87.00825	4.8
87.10034	3.4
91.05474	16.6
92.05799	4.3
93.04156	1.1
93.07039	12.0
95.04954	2.9
95.08573	4.8
97.02879	4.1
97.06544	1.5
97.93452	1.0
98.97591	1.6
99.04437	2.1
104.10729	1.2
105.01869	8.9
105.06996	1.7
107.04966	1.7
107.08585	10.0
109.02883	3.8
109.06515	2.3
109.10153	5.1
110.07189	1.9
111.04420	1.7
111.07986	1.6
115.92025	1.4
116.07072	7.7
116.98612	1.8
119.04941	24.0
119.08537	2.1
120.05280	9.9
120.08067	6.6
121.08459	2.3
123.11690	1.9
127.03934	10.2
131.08519	1.3
133.10114	1.6
135.11681	19.5
141.12740	2.0
145.02866	2.9
145.04968	3.7
147.04411	61.9
148.04741	35.1
149.04912	1.5
152.05667	2.4
153.01805	10.8
153.12743	100.0
154.13036	2.6
163.03900	3.1
165.05489	1.2
167.06989	2.9
171.13792	8.5
177.05478	4.5
184.07341	9.9
218.37819	1.1
220.13817	1.4
231.04828	1.5
237.02780	1.5
249.06108	1.6
274.12842	2.1
285.03964	3.3
331.18185	1.6
445.80258	1.3
454.13782	1.9
454.21454	2.4
455.06125	1.9
455.14886	1.9
455.18948	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
53.34734	0.4
55.01862	0.8
55.05503	1.1
65.03948	0.4
67.05536	0.5
68.05017	1.3
69.03422	0.9
69.07063	0.6
70.06591	6.9
71.04969	1.1
71.58218	0.7
76.07652	0.4
79.05485	1.5
80.05022	3.5
81.03413	1.3
81.07054	1.8
82.06590	3.0
84.08165	0.5
85.02902	2.8
86.09695	0.7
87.00816	0.4
89.03900	0.7
91.05468	1.8
93.07030	1.5
94.06497	0.6
95.04978	0.8
95.08601	1.0
97.02859	1.0
98.97596	0.6
99.04443	1.1
99.28168	0.4
100.11247	1.1
101.11578	0.6
103.03896	0.5
103.05476	0.9
105.01845	0.8
105.07015	2.0
106.06569	4.7
106.63297	0.5
107.04953	0.6
107.08584	1.0
108.08111	3.9
109.02872	1.4
109.06529	0.9
114.05540	0.5
115.05487	0.9
116.07092	0.9
116.98633	1.0
117.03365	0.7
117.06970	0.6
119.04957	0.8
119.08579	0.8
121.06535	0.6
123.04421	1.0
127.03934	3.2
128.04231	0.6
129.06993	0.6
130.04088	0.6
131.04973	1.1
133.06487	1.6
134.06023	2.7
134.42506	0.5
135.04414	1.3
135.11716	0.5
136.59465	0.4
137.05981	12.4
145.02838	0.6
145.05038	0.6
145.06458	0.7
146.03609	0.7
147.04396	4.5
148.04807	1.4
149.05983	1.7
151.92136	0.5
152.07069	1.8
159.08136	0.4
161.05972	6.0
161.13304	0.4
162.06732	1.5
162.07915	0.7
163.03928	4.6
163.06027	0.7
164.04240	1.1
165.04376	0.6
165.06953	0.7
167.07057	6.9
168.07373	3.8
169.06467	0.6
169.12173	0.6
171.08061	0.6
173.06038	1.0
175.07547	0.8
177.05501	1.0
178.02470	0.6
179.14258	0.7
184.05174	0.7
185.05965	0.8
187.07553	0.7
188.07071	0.5
189.07028	0.7
191.08688	0.7
199.07512	3.7
203.08549	2.2
206.08174	4.0
207.08052	0.8
209.16542	0.6
213.98381	0.5
215.08658	0.6
217.06432	0.5
218.07321	0.9
219.08058	4.2
220.08827	1.4
221.06056	0.6
222.06784	0.6
222.63531	0.5
223.07655	1.2
227.09074	0.7
229.06480	0.7
230.07277	0.6
231.08058	4.3
232.08809	1.4
233.09532	0.5
234.06697	0.6
235.07530	2.1
236.08307	1.4
237.02917	0.6
237.09157	1.3
239.06966	0.5
239.16382	0.6
243.08266	1.1
244.09071	0.6
245.06125	0.5
245.09711	1.1
246.06873	0.7
247.07570	4.3
248.08453	2.6
249.09087	1.8
250.06677	0.6
251.07051	0.8
251.10652	1.9
253.08521	0.7
257.05869	0.7
257.17490	1.3
258.06824	0.6
259.07574	3.6
260.08267	1.1
261.09167	3.3
262.09912	1.0
263.06995	1.2
263.10699	3.5
264.07822	1.5
265.08594	4.7
267.10019	0.6
271.07559	0.7
272.08508	0.5
273.09033	0.9
274.06406	0.6
275.07013	3.0
275.10327	0.9
276.07776	2.2
277.08603	5.0
278.09326	1.3
279.06522	0.4
279.10110	1.4
289.08572	7.8
290.09479	2.8
291.06714	1.3
291.10114	8.1
292.10934	2.0
293.08044	6.2
293.11096	0.6
294.08746	1.0
295.13242	2.1
296.10419	1.9
297.11313	2.0
303.10147	1.4
306.09006	2.5
307.09689	2.5
308.10477	10.8
309.11099	2.0
311.12778	0.6
321.11179	9.0
322.11627	0.6
323.12799	1.6
334.14453	0.8
336.12057	0.7
346.14209	0.7
348.12332	1.4
362.13797	1.1
364.15399	0.6
368.10812	0.9
376.15405	1.6
377.16232	1.9
392.18591	1.5
392.64890	0.5
410.12247	0.7
424.17538	7.8
436.17578	31.2
437.17706	1.4
454.18597	100.0
454.34689	2.9
455.18933	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	454.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03940	0.7
55.01875	0.3
55.05527	0.4
61.30519	0.3
67.05495	0.8
69.03419	0.8
69.40536	3.0
77.03910	0.4
81.03412	0.9
81.07056	0.4
83.04983	0.8
85.02903	0.4
88.07535	0.3
91.05508	0.4
95.04961	2.5
96.32839	0.3
97.02913	1.4
98.20684	0.5
100.11278	0.4
102.32748	0.3
103.05470	33.5
104.05822	0.5
105.03400	0.4
105.04534	0.4
109.02843	0.4
111.04436	0.8
116.98655	0.4
121.02850	1.2
125.02339	3.5
127.03928	0.7
131.04929	100.0
132.05246	1.7
133.10144	0.3
134.99625	0.3
139.03893	0.9
147.04538	0.3
149.05981	4.3
157.04948	0.7
167.03395	0.9
185.04459	8.8
203.05554	0.6
219.01782	0.4
271.04312	0.5
289.05594	3.2
328.07944	0.5
394.09015	0.4
401.08780	0.3
419.09729	0.8
451.52841	0.3
453.33951	0.5
454.12381	0.5
454.20099	0.4
454.34427	1.0
455.22397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
54.82638	0.4
55.01866	1.6
55.05505	0.8
55.64373	0.5
65.03954	1.0
65.14151	0.4
67.05495	1.7
69.03414	1.3
69.07079	0.9
69.50784	2.8
69.51212	1.7
70.06598	0.7
73.02916	0.7
77.03915	0.6
79.05489	1.2
81.03409	1.9
81.07047	2.1
83.04992	0.8
83.49267	0.5
84.08132	0.8
85.02894	1.6
86.09693	0.7
91.05466	1.4
93.03408	1.6
93.07054	1.0
95.04962	4.5
95.08597	1.6
97.02898	7.0
97.06516	1.1
100.47541	0.5
103.05471	26.2
105.07032	1.7
107.08609	1.2
109.02874	1.0
109.10168	1.4
109.96196	0.5
111.04439	2.0
119.08602	1.1
120.08900	0.8
121.02869	4.5
121.10151	1.2
125.02361	10.3
127.03933	1.2
129.05455	0.5
131.04932	100.0
132.05281	1.1
133.10143	1.4
134.10471	0.6
139.03886	1.8
144.10173	0.8
145.10133	1.7
147.11713	1.0
149.05991	4.2
155.03517	0.8
157.10229	0.9
159.11670	1.1
167.03413	4.6
173.13312	0.8
185.04462	23.3
187.14693	0.7
189.16386	0.8
201.16370	1.0
202.16731	0.6
203.05502	1.2
205.15927	0.6
215.17860	0.6
221.08157	1.5
271.04599	1.2
289.05515	4.2
401.08466	2.3
419.09686	2.2
453.34360	0.8
454.34201	2.9
455.13312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24344	0.4
53.03939	1.2
53.63980	0.4
55.01862	1.2
55.05500	0.8
65.01403	0.4
65.03940	1.0
67.05507	2.7
68.99768	0.5
69.03420	1.1
69.07053	1.0
70.71533	1.5
77.03957	0.5
81.03418	1.9
81.07063	1.6
83.04979	1.4
83.08642	0.6
85.02892	1.2
91.05455	0.5
93.03413	2.0
93.07038	0.8
95.04973	4.5
95.08612	0.8
97.02905	4.1
98.97578	0.5
99.04462	0.5
100.11262	2.0
103.05473	32.2
104.05807	0.7
105.07010	0.5
107.08598	0.6
109.02885	0.6
109.10156	0.7
111.04430	1.9
113.02379	0.5
119.08592	1.0
121.02888	4.1
121.10159	0.6
121.21159	0.4
122.69976	0.4
123.04433	0.7
125.02358	11.1
127.03915	1.8
131.04932	100.0
132.05231	1.9
139.03917	2.4
141.01845	0.4
143.03362	0.4
145.10153	0.6
146.10507	0.5
149.05995	4.1
159.11829	0.5
161.13271	0.4
167.03407	4.1
182.15413	0.6
185.04459	22.2
189.16408	0.8
201.16379	0.4
203.17958	0.4
221.08043	1.2
237.02885	0.4
271.04550	1.7
282.16205	0.5
289.05554	4.1
401.08725	1.6
408.12595	0.4
419.09927	1.8
437.11267	1.0
453.34372	1.6
454.19669	0.7
454.34579	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01872	1.3
55.05500	1.2
58.33112	0.3
65.03947	0.8
67.05509	3.7
69.03429	0.9
69.07074	1.3
69.79354	1.3
69.79779	1.1
71.05001	0.5
72.71925	0.3
73.49832	0.4
77.03918	0.5
78.40063	0.3
79.05498	0.5
80.92325	0.3
81.03432	1.5
81.07059	2.3
83.04975	1.6
83.08591	0.5
83.41906	0.4
85.02905	1.5
85.68199	0.4
87.04432	0.4
91.05491	1.2
93.03410	1.0
93.07046	1.6
93.53358	0.4
95.04974	4.4
95.08612	1.4
97.02916	4.0
97.06544	0.9
98.21478	0.7
99.04424	0.7
100.11252	0.7
103.05479	33.1
104.05798	0.8
105.07036	1.4
107.08598	1.3
109.02884	0.9
109.10175	0.9
111.04454	2.7
115.03938	0.5
119.08588	1.6
121.02888	2.9
121.10160	0.9
125.02358	10.9
127.03908	1.4
131.04939	100.0
132.05258	2.4
133.10132	0.7
139.03952	1.9
143.08548	0.5
145.10196	0.9
147.04399	0.5
147.08055	0.4
147.11769	0.4
149.05983	4.9
161.13289	0.8
166.21175	0.4
167.03371	2.0
172.95332	0.5
175.14848	1.0
185.04468	23.4
185.13246	0.4
188.15187	0.4
193.04990	1.0
203.05594	1.0
203.14120	0.4
221.15434	0.8
239.16434	2.1
239.30708	0.5
257.17511	3.5
268.89078	0.6
271.04553	1.4
289.05560	6.1
401.08237	0.4
419.09692	0.9
453.34207	0.9
454.19528	0.9
454.34219	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37319	1.5
53.03938	3.1
54.19694	1.4
55.01869	2.3
55.05515	22.6
57.03442	4.1
57.07074	4.8
58.93943	1.5
59.04974	2.6
61.28712	1.6
65.03955	2.2
65.63094	1.7
67.05512	25.8
69.03426	6.2
69.07072	29.6
71.05001	4.9
71.59592	3.3
79.05495	19.4
81.03409	6.0
81.07059	54.4
83.04992	9.5
83.08615	13.8
85.02917	9.6
89.06020	2.4
91.05486	23.1
92.05875	1.9
93.07052	41.9
95.04977	10.3
95.08614	71.5
97.02887	4.9
97.06532	25.9
97.10180	5.9
98.06870	6.1
99.04388	1.7
99.08089	3.6
100.07611	2.1
100.11265	6.0
103.03952	6.2
103.05485	2.5
105.07035	57.0
107.08599	49.3
109.02892	2.1
109.06511	6.2
109.10165	52.8
109.10921	2.5
111.04446	3.2
111.08071	4.6
111.11716	3.1
117.03372	2.1
117.06989	9.7
119.08587	85.0
121.02902	3.0
121.06518	4.1
121.10156	40.5
123.04475	2.6
123.08069	4.5
123.11710	13.0
125.09620	4.6
127.03905	5.6
129.06999	5.7
131.04950	2.8
131.08566	31.3
133.06508	2.8
133.10130	48.5
134.10454	2.0
135.04427	2.6
135.08076	4.2
135.11679	21.2
137.05972	2.5
137.09616	2.4
137.13283	4.7
141.07004	2.0
142.07747	2.7
143.08566	8.3
145.02817	3.8
145.10133	51.3
146.10770	2.7
147.04428	4.9
147.08063	3.1
147.11694	37.1
147.22827	1.6
149.09641	3.9
149.13258	19.0
155.02246	1.6
155.08575	2.9
156.09279	2.5
157.06589	2.1
157.10139	17.8
158.10841	2.9
159.04472	1.9
159.08044	1.9
159.11697	38.7
161.02348	3.6
161.09625	4.1
161.13275	30.9
163.04021	8.4
163.07585	3.7
163.11226	3.8
163.14830	11.2
164.04271	3.2
165.04529	2.9
165.09128	2.7
165.12813	2.9
169.10175	5.8
171.11609	9.0
171.13844	2.9
172.12396	2.3
173.02388	5.2
173.09634	2.9
173.13289	29.0
174.02695	2.5
175.11241	3.7
175.14842	24.8
177.05489	4.5
177.09120	2.2
177.16382	14.4
182.15436	2.8
183.11696	6.4
185.13255	9.0
187.11180	2.6
187.14830	31.7
188.15236	2.0
189.12805	4.0
189.16389	37.1
191.14311	6.4
191.17920	8.6
193.15952	4.2
195.11758	2.4
197.13324	7.3
199.14827	13.3
201.16396	45.4
203.14258	4.7
203.17972	33.6
205.15872	13.8
205.19603	2.2
207.13695	2.6
209.13472	3.1
209.16423	2.5
210.14899	4.5
211.14822	4.7
213.16370	12.5
215.07039	7.4
215.14455	3.1
215.17953	25.7
216.07405	5.0
217.07674	3.4
217.12349	3.1
217.15984	8.4
217.19518	5.8
219.17484	5.7
223.14972	3.8
225.16550	3.8
227.18004	2.8
229.16019	3.2
229.19614	7.2
231.13783	2.6
231.17448	3.7
233.15393	2.6
235.16986	2.6
237.16518	2.8
239.18121	2.5
241.19527	3.7
243.21152	6.0
245.15430	3.8
245.19084	2.3
247.16989	3.9
249.18407	2.1
253.19527	3.1
255.21106	3.3
259.09723	15.2
260.10025	10.1
261.10269	17.8
261.18539	3.4
267.21249	2.5
285.18658	2.2
287.05707	2.9
288.05899	5.1
289.06128	7.7
295.24512	2.4
306.83691	1.9
351.26822	2.4
389.31979	6.8
393.08759	5.4
407.33151	25.6
425.34354	3.3
435.32773	16.3
453.10858	15.2
453.33746	100.0
453.84521	3.7
454.34235	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03942	4.4
55.01847	3.8
55.05509	23.8
57.03415	8.8
57.07063	5.4
59.04992	3.2
65.03951	2.5
67.05502	30.6
69.03429	11.1
69.07059	27.3
69.60184	4.8
69.60588	14.4
71.01370	2.6
71.04991	23.9
73.02907	8.7
75.04465	5.2
79.05490	23.0
80.34243	2.3
81.03417	6.8
81.07052	64.0
83.04534	3.8
83.04987	36.4
83.08618	11.8
84.04462	3.0
85.02901	72.6
87.04459	2.5
87.32071	1.9
91.05463	29.0
93.07037	57.6
95.04975	19.3
95.08601	84.9
97.02917	6.4
97.06532	7.2
97.10152	7.0
99.04454	9.1
99.08069	4.9
99.55874	2.8
100.03705	2.3
101.05946	2.2
105.03402	11.7
105.07025	70.5
105.80984	2.4
107.08587	80.4
109.02863	6.5
109.06516	7.9
109.10148	51.2
110.07112	2.6
111.04449	8.3
111.08076	8.7
115.43991	2.2
117.07011	11.6
119.08575	99.6
121.09303	4.8
121.10136	62.2
123.04446	2.8
123.08061	8.9
123.11664	17.5
125.06014	3.3
125.09610	11.8
127.03899	37.3
129.05493	11.4
129.06970	7.3
131.08554	36.6
133.09113	3.6
133.10121	61.4
135.08047	5.2
135.11685	34.9
137.09615	6.3
137.13222	2.8
143.08554	12.0
144.09299	3.9
145.04959	13.3
145.10120	61.6
147.06499	5.2
147.11679	43.3
149.09668	7.2
149.13229	20.6
151.11215	5.0
153.09109	4.9
155.08574	3.8
157.05029	6.7
157.10109	22.1
158.10980	3.7
159.11679	51.0
161.09634	5.4
161.13255	43.7
163.03905	10.6
163.06129	3.1
163.11212	4.9
163.14821	26.2
164.04250	6.0
165.12839	3.9
167.07080	4.8
169.10161	7.1
170.10912	2.4
171.11667	15.4
173.13235	28.2
174.66988	2.2
175.14822	35.2
175.86017	2.5
177.12756	2.8
177.16374	33.1
178.98178	2.5
179.14429	2.9
181.10228	2.3
183.11732	2.8
185.13235	11.1
187.14818	66.4
188.15247	3.2
189.12750	4.9
189.16371	67.8
191.14259	16.1
191.17989	10.6
193.15912	4.6
197.13271	2.8
198.14209	2.6
199.14809	23.3
201.16365	82.2
201.18254	4.1
203.14371	9.1
203.17949	59.4
205.15909	27.4
205.19508	4.0
207.17523	2.6
211.14789	3.6
213.16377	23.1
215.17955	30.8
217.15901	23.9
217.19542	3.6
219.17447	21.2
221.15471	3.2
225.16396	4.9
227.17993	7.3
229.19531	6.8
231.17444	18.7
233.19031	6.1
235.16902	13.4
239.18060	3.8
241.19513	7.8
243.17493	4.4
243.21159	4.7
245.19025	2.9
247.17001	11.5
249.07622	3.6
249.18536	10.9
251.18109	3.9
253.19603	4.3
255.08691	6.5
255.21098	6.5
259.17017	3.2
259.20676	3.3
261.18454	14.7
265.19467	4.0
267.21024	3.4
271.20474	2.8
273.09641	6.3
281.22668	4.5
283.24200	4.4
287.05594	6.0
327.23267	4.0
341.24832	3.0
351.26871	3.5
389.32230	14.5
395.29303	8.2
395.33731	3.5
407.33047	64.5
408.33627	3.1
409.34702	3.8
423.32465	3.6
425.34128	5.8
435.32538	31.4
453.33633	100.0
454.34055	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	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.01432	2.8
52.55386	2.5
53.03948	3.6
55.05515	18.8
56.05619	2.3
56.14573	2.2
56.96560	2.5
57.07078	4.7
67.05508	27.5
67.84799	2.2
69.03436	4.9
69.07074	19.0
71.05012	2.8
71.21215	3.7
72.32641	2.3
79.05507	17.1
80.84481	2.4
81.07060	48.9
83.04988	24.5
83.08611	10.0
85.02895	4.6
91.05476	24.0
93.07046	46.6
95.04967	10.1
95.08608	73.8
97.02892	2.7
97.06512	5.2
97.10155	4.5
100.11254	3.6
101.92411	2.2
105.07033	61.3
107.08603	61.1
109.06532	6.4
109.10159	47.2
111.08090	7.2
117.07031	11.1
119.08586	83.4
120.01214	2.3
121.06493	4.9
121.10151	44.1
123.08050	7.8
123.11707	15.6
125.09611	8.4
129.07019	4.2
130.07799	4.3
131.08566	33.2
133.06386	3.0
133.10138	54.2
135.08057	6.1
135.11681	23.3
137.09621	5.2
137.13232	2.5
137.19127	2.4
142.07755	4.0
143.08540	16.4
144.09297	3.0
145.10130	47.6
147.11681	41.4
149.09589	4.4
149.13268	20.3
151.11244	3.3
152.44203	2.6
153.09155	4.8
155.08560	3.5
156.09380	2.8
157.10139	16.6
159.11699	44.8
161.09615	6.3
161.13257	39.3
163.03905	5.2
163.07462	2.4
163.11134	2.9
163.14850	15.7
164.04286	2.6
165.09180	4.5
165.12808	2.7
169.10179	3.9
171.11687	16.7
173.13251	28.3
175.01608	3.0
175.14807	33.2
177.16405	27.2
183.11650	5.7
184.12491	3.6
184.51761	2.5
185.13292	7.6
187.14828	54.7
189.12759	5.6
189.16377	46.9
191.14346	12.7
191.17964	11.7
193.12187	2.7
193.15894	4.5
197.13306	5.4
199.14822	16.5
201.16383	54.9
203.14291	5.6
203.17957	39.8
205.15944	25.8
205.19563	3.2
211.14937	3.6
213.16412	22.8
215.17957	24.2
217.15849	12.9
217.19418	4.9
219.17439	17.5
221.15411	5.2
227.17941	4.8
228.12680	2.2
229.19571	5.8
231.17458	10.3
233.15388	3.4
233.19061	5.9
235.17026	7.7
237.16231	2.3
239.17883	3.3
241.19516	7.5
243.21025	3.8
247.16982	10.8
249.18604	8.1
253.19582	3.5
255.21036	3.2
261.18408	14.1
267.21085	3.6
283.24191	3.0
293.22763	2.6
315.69165	2.3
349.28833	2.6
351.26724	3.0
389.31870	15.0
395.29269	5.3
397.10291	2.7
407.33099	56.9
423.32428	5.0
425.34055	6.9
433.20047	7.0
433.70291	2.7
435.32706	21.8
453.33688	100.0
454.34158	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	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
53.40368	1.8
55.01867	2.6
55.02154	1.7
55.05510	21.2
56.96564	5.0
57.07075	7.1
65.03927	4.3
67.05167	2.9
67.05503	31.3
69.03429	4.0
69.07073	21.4
69.59776	1.7
69.60040	17.2
79.05503	22.0
81.07063	61.5
83.04985	29.6
83.08612	16.0
85.06544	2.3
91.05477	29.5
93.07047	54.2
95.04971	11.7
95.08606	86.2
97.06516	5.3
97.10175	6.9
99.08055	2.5
105.07034	77.7
107.07861	4.6
107.08591	78.8
109.06533	9.1
109.10157	54.0
111.04452	2.2
111.08076	13.3
117.07022	7.4
119.08581	100.0
120.08887	2.9
121.06516	3.2
121.09312	4.1
121.10141	54.6
121.11444	2.8
123.08056	6.0
123.11703	29.1
125.09626	10.9
129.07019	6.0
131.08571	36.3
133.10130	67.8
135.08022	4.1
135.11697	28.0
137.09633	5.2
142.07761	2.5
143.08571	15.6
144.09303	3.4
145.10130	67.9
147.04353	2.5
147.08041	2.5
147.11678	42.8
149.09604	5.2
149.13272	15.1
151.11183	6.4
153.09129	7.0
155.08572	3.2
157.10129	14.4
158.10951	2.3
159.11694	61.3
161.13264	26.6
163.11118	2.8
163.14857	14.8
165.09265	2.2
165.12741	2.2
169.10074	3.1
170.10896	2.7
171.11636	10.4
172.12505	2.7
173.09573	2.1
173.13271	32.6
175.14819	45.9
177.12743	3.1
177.16394	18.0
183.11674	6.5
184.12439	2.5
185.13280	11.8
187.14810	57.8
188.15222	2.5
189.16374	55.2
191.14316	12.8
191.17969	18.9
193.12337	2.4
193.15863	3.5
197.13287	5.0
199.14824	15.6
201.16385	61.9
203.14293	8.0
203.17940	31.0
205.15875	86.8
205.19489	5.1
207.17570	3.0
210.18558	35.0
211.14839	5.9
213.16379	31.9
215.17946	32.7
217.15776	10.3
217.19527	7.4
219.17427	46.8
220.17519	2.1
227.17929	7.4
227.21175	9.9
229.15959	3.0
231.17439	5.2
233.19034	7.9
235.16898	21.5
239.17914	3.6
241.19568	9.7
243.21161	4.9
247.16940	12.6
249.18559	4.1
255.21082	5.9
261.18573	9.0
267.20978	11.2
269.22635	2.7
281.22650	3.5
293.22638	2.9
300.20502	3.2
315.23172	2.6
317.21017	2.7
318.21533	7.8
354.19644	7.2
389.32205	15.5
407.33087	72.8
408.33148	2.9
409.34683	3.9
417.35049	2.5
435.27310	3.7
435.32291	15.2
453.33636	45.0
454.34476	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03938	1.9
55.05506	12.8
57.07055	1.7
67.05508	12.7
69.03397	1.6
69.07068	13.3
70.12497	9.9
74.99580	1.6
79.05492	11.9
81.07059	38.9
83.04985	23.5
83.08613	6.9
85.83881	1.5
90.86370	1.6
91.05482	16.4
93.07040	35.3
95.04970	7.8
95.08600	61.1
97.06563	2.0
97.10162	5.3
99.08100	3.3
105.07029	51.3
107.08601	55.4
109.06516	5.5
109.10154	33.4
111.08054	6.1
117.06991	4.1
119.08577	71.0
121.10137	36.8
123.08085	4.7
123.11722	15.7
125.09627	8.4
129.07019	4.0
131.04449	1.6
131.08569	20.3
133.10129	42.8
135.08131	4.5
135.11693	17.0
137.09636	4.0
142.07751	2.2
143.08551	11.7
145.10118	45.9
147.11671	33.6
149.09615	5.3
149.13255	16.7
150.81947	1.7
151.11195	2.5
153.09059	4.4
156.09354	2.4
157.10156	11.8
158.11015	2.0
159.11693	44.0
161.09598	3.7
161.13240	33.5
163.03920	2.1
163.11189	3.6
163.14812	20.0
165.12753	2.2
169.10086	2.6
171.11667	9.7
173.13252	23.0
175.11299	2.6
175.14818	35.0
177.12810	3.3
177.16379	26.9
183.11745	4.9
185.13261	8.7
187.14818	54.0
188.15147	2.1
189.12825	5.0
189.16377	58.5
191.14359	10.6
191.17931	10.1
193.15892	3.9
197.13321	3.6
199.14812	16.6
201.12602	2.3
201.16386	59.1
203.14339	3.7
203.17940	44.2
203.19725	3.0
205.15868	24.7
207.17516	4.3
211.14799	2.2
213.16420	18.7
215.17947	28.0
217.15918	17.4
217.19574	2.3
219.17426	19.7
221.15466	3.3
225.16493	2.9
227.18011	5.0
229.19522	5.7
231.17474	15.8
233.18983	5.4
235.16983	11.7
237.16423	2.3
239.18016	3.8
241.19626	5.3
243.21207	4.0
245.18930	3.2
247.16905	8.8
249.18556	7.1
251.17796	2.4
253.19492	3.1
255.21147	4.2
257.22574	2.7
259.20700	4.2
261.18546	11.2
265.37744	1.7
267.21045	4.6
271.17154	2.1
271.20776	2.0
272.57202	1.8
281.22559	2.8
285.18588	3.1
293.22946	1.8
304.04163	1.9
327.23276	2.7
349.29053	3.9
353.25021	2.6
357.27713	2.8
379.33679	2.7
389.31863	10.4
395.29517	7.4
407.33096	59.8
407.38324	3.6
409.34787	3.4
417.31693	2.2
423.32333	4.2
425.33960	5.4
435.32593	28.5
453.33658	100.0
454.33902	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.11109	2.5
55.05515	15.8
59.26993	2.4
67.05511	21.8
69.07070	20.6
71.04985	3.0
71.35797	2.7
79.05498	17.2
81.07065	45.5
83.04970	25.2
83.08607	7.3
85.02922	5.5
91.05469	19.5
93.07050	39.3
95.04971	13.0
95.08613	72.3
96.85976	2.3
97.06561	3.9
97.10185	5.5
99.08124	3.7
105.07039	61.3
107.08600	58.6
109.06512	6.0
109.10166	42.4
111.08093	7.0
117.07016	8.5
119.08588	80.0
121.10156	49.4
123.08055	7.0
123.11707	11.9
125.09635	9.2
129.07022	3.8
131.08571	28.9
133.10136	53.5
133.11073	3.9
135.08055	5.8
135.11688	24.7
137.09560	5.9
137.13284	4.2
142.07820	3.8
143.08546	12.3
145.10127	52.0
147.11693	48.3
149.09596	3.6
149.13298	19.4
151.11211	4.7
153.09058	4.4
157.10121	21.4
159.11705	40.6
161.13261	40.9
163.11118	2.7
163.14841	21.6
169.10156	4.2
171.11719	12.9
173.13284	24.3
175.11209	2.8
175.14822	38.3
177.12782	2.8
177.16397	27.8
179.14270	3.4
183.11707	4.3
185.13216	8.6
187.14839	47.8
189.12785	4.0
189.16397	58.2
191.14305	16.0
191.17979	9.6
193.15955	3.7
197.13324	3.2
199.14807	18.9
201.12724	2.9
201.16414	70.1
203.14496	4.3
203.17958	46.0
204.18527	2.8
205.15894	20.4
205.19624	3.9
207.17387	4.2
211.14819	3.8
213.16396	28.3
215.17963	27.6
217.01938	2.4
217.15878	16.3
217.19524	2.8
219.17461	22.8
221.15413	5.5
223.14793	3.1
225.16428	4.2
227.17924	4.5
229.15918	2.8
231.17429	19.8
233.15314	3.8
233.19078	7.5
235.16908	8.0
237.16246	2.9
241.19572	10.1
243.17352	4.3
243.21303	3.6
245.19049	5.2
247.16858	14.9
249.18427	6.3
253.19704	3.0
255.21222	4.9
259.20563	2.8
261.18472	12.0
263.18106	2.6
265.19397	3.7
267.21194	3.8
271.14914	2.8
281.22665	2.5
327.23163	5.1
349.29031	4.4
389.32007	10.8
395.29294	7.0
407.33127	62.5
408.33661	3.6
423.32611	5.0
425.34164	5.1
435.32635	30.6
436.32925	3.4
453.33661	100.0
454.33862	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	453.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61556	1.5
56.96564	4.1
61.31630	1.5
65.88470	1.5
67.31086	1.8
70.18515	8.0
103.59974	1.7
104.49115	1.6
127.09846	1.6
139.40590	1.7
152.15237	1.6
160.76903	1.6
175.02911	3.6
193.03954	3.6
198.40071	1.6
238.24078	1.6
453.20374	100.0
454.20615	5.6
471.20551	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	453.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.7
63.89797	1.2
67.05480	1.1
67.66777	1.3
70.64110	4.0
88.10458	1.1
98.20725	1.4
106.59657	1.3
147.04407	1.2
175.02634	5.4
190.80565	1.1
192.00891	1.3
193.03932	2.1
334.95633	1.4
348.27155	1.5
453.20367	100.0
454.20831	4.5
471.20450	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	453.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	2.4
56.96562	13.4
64.60804	1.9
67.05500	3.8
69.07085	2.5
70.08846	6.9
74.45745	1.8
79.05490	4.0
81.07060	6.5
83.05006	2.7
87.91541	2.0
91.05502	4.0
93.07072	5.4
95.08618	8.2
95.57828	1.9
98.20817	2.2
98.67650	1.7
100.11308	2.0
105.07043	4.7
107.08590	7.8
109.10172	4.4
116.98634	1.7
119.08598	6.9
121.10206	2.9
130.07747	2.2
131.08624	2.6
133.10132	4.9
145.10147	2.0
147.04390	2.3
149.09561	2.0
159.11681	1.8
175.14935	2.1
185.04889	2.5
187.14807	4.7
189.16391	3.8
197.87129	1.8
201.16441	3.0
203.05928	29.2
203.17909	2.2
205.16002	2.5
214.01578	2.3
221.06976	29.4
226.07608	3.2
233.30754	1.8
237.08301	1.9
244.08514	1.9
255.08865	2.1
264.06769	2.9
267.05362	3.3
281.07059	3.4
282.07779	18.4
299.07928	2.3
300.08777	7.7
305.09381	3.5
371.15497	5.4
389.16229	22.5
407.17416	100.0
407.32846	3.5
408.17859	5.0
412.17981	12.4
425.18164	2.8
430.18973	17.8
435.32639	3.8
453.15381	7.9
453.20630	3.5
453.33899	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	453.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95194	2.2
52.94656	2.0
53.03933	4.7
55.01856	3.4
55.05499	7.5
57.03430	3.2
57.07053	2.4
59.04991	3.8
60.04528	2.7
61.02924	2.9
67.05497	5.9
68.99755	2.9
69.03433	19.5
69.07069	14.7
69.57996	15.4
70.05388	2.0
71.04994	24.8
73.02914	3.5
79.05481	9.3
81.03432	14.8
81.06580	3.4
81.07057	70.0
83.04955	6.9
85.02907	50.0
87.00822	18.6
91.05457	6.4
93.07030	8.6
95.05004	2.5
95.08585	6.0
97.02884	13.1
97.06541	5.4
99.04439	8.4
99.08088	4.8
105.01861	18.3
105.06985	3.7
107.08588	19.6
109.02877	14.8
109.06490	2.6
109.10159	20.9
111.08084	3.0
111.11709	7.8
117.01823	2.3
119.04943	6.9
121.10110	5.8
123.08074	2.1
123.11710	35.2
127.03918	27.7
127.11180	2.4
133.10115	4.9
135.11644	2.8
139.11166	20.4
145.04958	12.6
147.04414	28.3
151.11172	47.7
156.06229	2.5
157.12254	23.8
159.02907	6.3
169.12241	100.0
180.96875	2.4
187.13286	77.6
205.14352	20.6
212.70354	2.0
231.04956	6.0
336.11084	2.1
351.03568	2.2
359.39081	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
53.59584	0.9
55.05503	2.0
55.41188	1.0
57.03429	1.9
59.04978	1.5
61.98550	1.0
62.00074	1.0
65.03957	1.0
67.05502	4.8
68.67729	1.0
69.03432	6.4
69.07065	6.3
70.06591	1.3
70.63375	3.5
71.05003	10.8
72.31494	1.1
72.54387	0.9
79.05486	4.7
81.03410	4.0
81.07059	33.0
83.04967	2.3
85.02909	15.8
85.06535	2.6
87.00824	6.9
91.05478	12.8
92.05813	1.3
93.07026	3.3
95.04939	2.3
95.08629	2.4
96.94437	1.1
97.02881	6.6
97.06521	3.3
99.04466	3.3
101.06036	1.4
105.01863	5.4
105.07049	1.9
107.08602	9.0
109.02886	4.8
109.06503	2.6
109.10153	10.6
111.08085	2.1
111.11707	3.1
119.04944	21.2
121.10110	2.0
123.08082	1.2
123.11707	14.1
127.03925	8.6
133.10149	2.8
139.11166	7.9
141.12749	1.4
145.04980	3.0
147.04413	100.0
148.04729	5.2
151.11191	17.6
153.12703	2.1
157.12247	7.3
159.02916	1.4
165.05457	2.2
167.07048	3.9
169.12233	34.5
187.13304	42.1
188.13524	2.0
205.14363	18.0
281.99246	1.0
286.95572	1.1
291.04532	1.4
415.65741	1.0
453.13791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01865	2.3
55.05507	3.2
57.03423	2.7
59.04986	1.5
65.03920	2.0
67.05505	4.4
68.99789	1.4
69.03426	11.7
69.07067	3.8
69.83264	2.4
69.83678	3.0
70.06593	3.8
71.04994	12.6
72.08131	1.6
73.02901	1.7
76.44717	0.9
79.05484	4.3
81.03420	9.3
81.07053	21.5
82.07388	3.5
83.04988	3.4
85.02907	25.6
85.06513	1.2
87.00822	7.2
90.74430	1.0
91.05473	13.9
93.07038	5.9
94.07391	2.9
95.04969	4.6
95.08602	1.5
96.05299	1.3
97.02888	9.9
97.06541	1.8
99.04469	3.2
99.08057	1.2
105.01868	10.0
105.07004	1.5
107.04993	0.9
107.08598	6.2
108.08944	2.1
109.02905	8.2
109.10146	7.0
110.10423	1.1
111.11723	1.4
119.04941	27.1
120.08122	2.0
121.10153	1.2
123.04401	1.5
123.08060	1.6
123.11720	8.7
123.16997	0.9
124.03937	0.9
124.12099	1.6
127.03926	16.2
128.04274	1.7
129.01820	1.5
130.26392	0.9
133.10149	3.2
134.10504	2.8
139.11198	2.5
140.04642	0.9
145.04987	7.9
147.04408	100.0
148.04739	4.6
151.11182	16.1
152.11539	2.2
157.12257	2.9
159.02905	4.2
163.03951	2.0
165.05513	1.4
167.07024	10.0
168.07365	2.0
169.12224	34.4
170.12593	2.4
187.13290	21.9
210.15057	0.9
218.97395	1.4
231.05040	3.9
236.98395	1.8
260.98627	1.3
287.00143	1.2
393.02698	2.7
435.19101	1.3
453.13629	1.4
453.34634	1.4
459.30780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.01879	0.6
57.03423	0.4
68.99807	0.3
69.03435	1.4
69.07072	1.1
71.05000	0.6
73.02939	0.4
81.03450	1.8
85.02911	4.6
87.00824	1.4
91.03907	0.4
91.05502	1.7
93.07055	2.4
95.04994	0.6
97.02886	1.7
99.04450	1.1
105.01878	1.4
107.04939	4.2
109.02884	2.2
110.59675	0.4
117.84280	0.4
119.08558	0.5
121.06512	9.0
121.10210	0.3
127.03936	3.3
134.03589	0.4
145.04959	1.4
149.05986	100.0
150.06323	1.6
159.02925	1.5
161.09590	1.0
162.36911	0.3
162.97008	0.4
163.07549	1.6
163.11169	1.1
187.07631	0.5
189.09027	0.7
190.08701	0.7
205.12247	66.7
206.12628	1.0
215.10788	0.8
217.12312	0.5
231.04903	0.5
268.18051	0.4
303.97751	0.4
311.94604	0.4
352.03323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54434	2.3
53.03939	7.7
54.51686	1.9
55.01862	9.3
55.05507	4.8
57.03436	3.8
57.07085	3.1
59.05005	2.0
61.02921	3.6
64.15716	2.0
67.05500	5.0
69.03424	23.4
69.07063	8.7
71.04993	29.4
71.10815	3.4
71.11146	4.4
73.02919	6.8
75.29805	2.0
79.05489	8.1
81.03415	24.6
81.07059	55.4
83.04984	3.4
85.02905	47.8
87.00833	18.1
91.05486	4.5
93.07053	9.2
95.04964	3.0
95.08597	4.9
97.02879	18.8
97.06551	4.4
99.04456	10.1
99.08128	2.7
105.01868	18.4
105.07015	3.9
107.08595	13.7
108.30336	2.1
109.02891	22.8
109.06496	4.5
109.10152	21.5
111.08070	3.3
111.11687	3.6
119.04900	5.1
121.10144	3.9
123.11708	31.0
127.03906	39.7
127.07619	2.8
133.10115	4.6
135.11746	2.9
139.11198	9.9
145.04956	17.1
145.90044	2.2
147.04384	11.6
151.11172	36.9
157.12257	10.4
159.02878	12.3
169.12238	100.0
170.12590	2.4
187.13297	87.8
205.14354	6.3
231.05034	6.3
385.90411	2.6
435.18869	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	453.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01862	0.3
55.05490	1.0
61.02912	0.4
65.03918	0.3
67.05493	0.5
67.88565	0.2
69.03407	0.6
69.69441	0.3
69.69846	1.4
71.06519	0.2
74.00627	0.2
78.04707	1.2
78.91384	0.2
79.05473	1.1
80.68207	0.2
81.03416	0.5
81.07044	0.8
83.08600	0.6
83.65933	0.2
83.98396	0.2
84.08143	0.4
85.02884	0.9
85.06490	0.2
89.03865	0.3
91.05469	1.0
91.41179	0.2
93.03406	0.3
93.07034	0.8
95.04979	1.1
95.08598	0.3
97.02893	0.5
97.06491	0.2
100.11249	5.2
103.05479	0.6
105.03362	0.2
105.07008	0.9
106.04169	1.1
106.06438	0.3
107.04955	1.7
107.08573	0.3
109.02888	0.3
109.06517	0.5
109.10146	0.7
111.04433	0.7
111.08044	0.3
119.04930	0.5
121.06490	1.1
123.03564	0.4
123.04421	4.8
124.05211	1.7
127.03931	0.7
128.07146	0.2
133.02780	0.5
133.06490	0.6
135.04413	0.8
137.05956	0.9
138.02992	0.2
139.07573	0.2
139.08656	0.2
140.04674	3.7
147.04420	1.4
148.05153	0.5
149.05995	1.3
151.03862	0.7
151.11179	0.3
152.04680	1.4
153.05400	0.2
155.07028	2.7
161.05966	0.7
163.03929	1.9
165.05487	0.6
167.07030	100.0
168.07350	1.4
170.12634	0.3
173.08168	0.3
176.04727	0.3
177.05478	0.8
179.07014	1.1
180.04208	0.4
181.04956	2.4
181.08574	0.9
182.15370	1.1
193.04964	0.6
193.08604	3.8
194.05754	0.9
195.06444	0.6
197.08075	0.3
207.06528	0.8
209.08057	3.9
209.16507	1.5
210.14922	1.5
211.09627	3.0
225.07567	0.9
226.19070	0.4
227.09174	0.5
243.08630	3.1
336.22781	0.3
435.33240	1.3
453.17337	0.3
453.34363	8.4
454.18704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26482	1.3
53.03938	2.9
55.01863	3.3
55.05515	10.6
57.03442	11.4
57.07060	1.3
57.91592	1.3
59.04987	1.6
61.02932	1.9
65.03936	1.5
67.05499	8.2
69.03437	9.6
69.07075	11.1
71.01322	1.9
71.04998	38.6
71.58646	2.1
73.02923	16.3
75.04487	8.0
79.05499	8.4
81.03410	6.1
81.07059	16.3
83.04992	26.4
83.08604	5.2
85.02908	100.0
85.06506	1.3
87.00845	1.8
87.04468	4.3
91.05491	14.3
93.07041	18.0
95.04957	5.8
95.08609	22.8
97.02900	8.0
97.06540	3.7
97.10151	2.1
99.04460	15.9
101.02359	3.0
101.06063	2.2
105.07034	22.6
107.04922	2.4
107.08607	20.5
109.02872	4.3
109.06519	3.2
109.10170	13.6
111.04440	11.0
111.08088	2.1
117.07006	3.5
119.04934	2.1
119.08589	32.3
121.06474	2.9
121.10130	14.3
123.04430	1.9
123.08022	2.3
123.11685	4.2
125.09615	3.5
127.03919	45.9
129.05493	19.2
129.06981	2.2
131.08568	9.9
133.10149	20.9
135.08046	2.6
135.11697	6.5
137.05931	3.1
137.09593	2.3
137.13260	1.6
139.07486	1.9
143.08545	4.6
145.04959	19.2
145.10141	20.0
147.04419	4.1
147.06520	6.7
147.08015	1.7
147.11697	14.8
149.09599	2.3
149.13304	7.4
151.07674	1.4
151.11136	1.5
153.05496	1.8
157.04924	11.1
157.10136	5.0
159.11685	15.7
161.09607	2.9
161.13266	12.3
163.03883	4.1
163.05971	1.8
163.07445	1.5
163.11186	1.4
163.14781	7.2
165.09113	2.5
167.07007	6.9
169.10094	1.8
170.10941	1.9
171.06587	1.7
171.11731	3.8
173.13281	9.6
175.14818	10.2
177.16418	8.2
181.04993	1.4
183.11676	1.7
185.13300	4.1
187.14835	18.4
189.12743	2.3
189.16374	17.2
191.14336	5.5
191.17915	2.6
199.14851	6.8
201.16371	21.9
203.14322	2.8
203.17987	15.7
205.15942	8.9
209.08005	1.5
213.16412	7.3
215.17958	8.4
217.15900	8.2
219.17422	4.3
231.17436	5.2
233.18942	2.0
235.16820	3.5
237.07553	2.9
241.19543	1.6
247.16910	3.9
249.18509	2.3
255.08723	7.6
261.18588	2.9
271.08035	1.6
273.09659	5.7
279.37482	1.3
289.09192	1.5
295.24292	1.7
309.11789	2.0
349.28821	1.6
359.40720	1.4
389.31992	4.3
396.52756	1.4
407.33185	21.0
423.32388	1.5
425.33798	1.4
435.32660	6.0
453.23282	2.6
453.33682	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	453.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
58.06580	0.2
61.02922	0.2
65.03931	0.2
67.05499	0.2
68.98160	0.2
69.03439	0.2
69.53081	1.1
69.53512	0.7
70.06580	0.2
78.04694	1.3
79.05492	1.1
81.03426	0.3
81.07057	0.8
84.08144	0.4
85.02895	0.7
85.08496	0.2
91.05489	1.1
93.07037	0.7
95.04974	1.0
95.08597	0.4
97.02866	0.3
99.04446	0.3
100.11221	0.5
103.03946	0.4
103.05475	0.5
105.03410	0.3
105.07011	0.6
106.04153	0.7
107.04957	1.3
107.08618	0.3
109.02892	0.5
109.06506	0.6
109.10149	0.2
119.04932	0.4
121.06496	0.6
122.03656	0.4
123.04430	4.5
124.05228	1.8
125.02354	0.3
127.03902	0.5
133.02805	0.3
133.06496	0.6
134.03645	0.3
135.04413	0.4
137.05968	1.3
140.04680	3.8
144.10178	0.5
147.04425	2.4
149.05966	0.5
151.03909	0.8
152.04706	1.5
155.07056	2.5
161.06007	0.5
163.03918	0.2
165.05479	0.8
167.07034	100.0
168.07365	1.7
169.12213	0.3
179.07060	0.8
181.04950	2.6
181.08603	0.7
193.04970	0.8
193.08627	3.2
195.06517	0.4
197.08125	0.3
198.98605	0.3
207.06575	0.9
209.08162	0.3
211.09650	2.9
216.92015	0.2
216.99539	0.2
225.07587	0.7
243.08623	2.7
269.97513	0.2
453.13660	0.6
453.23462	1.3
453.34174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64003	0.7
56.96574	6.0
57.03450	0.8
60.71427	0.7
69.03448	1.6
69.93276	4.2
70.06594	0.8
81.03448	0.7
83.04968	0.7
85.02913	3.2
88.99185	1.0
91.05476	2.5
95.18672	0.8
95.58699	0.7
96.35696	0.8
97.02908	2.8
98.97576	5.0
101.00892	1.2
105.00356	0.7
109.02879	0.9
113.00923	0.7
115.02448	2.6
116.98650	4.3
117.04008	1.9
119.01923	9.1
119.04971	4.2
127.03891	1.7
128.98637	2.2
131.01915	10.5
133.03439	4.7
134.99661	1.2
135.05023	5.0
137.02979	2.7
137.04729	0.9
143.00204	0.9
143.01883	4.0
145.03482	8.9
146.99608	3.4
147.01360	1.0
147.03241	1.8
147.04364	17.1
149.01230	1.3
149.02974	2.3
151.04543	1.3
152.05714	1.5
155.01903	9.7
156.02686	1.5
157.03517	2.3
158.99631	1.2
159.05048	12.3
160.05144	1.0
161.01213	1.8
161.02972	7.7
163.02754	0.8
163.04504	5.3
165.00742	3.4
169.03514	1.3
171.05048	16.0
171.06537	0.9
172.95277	0.9
173.02986	16.3
173.06592	4.3
174.03610	0.9
174.99261	0.8
175.02826	1.4
175.04573	2.8
177.00743	2.1
177.02228	0.7
177.06097	7.4
183.01804	0.7
183.05035	2.0
185.03001	3.2
185.06645	2.4
187.03014	0.9
187.04579	3.1
189.00766	1.0
189.06097	16.6
190.98592	2.2
191.04025	0.8
191.05988	0.9
191.07655	2.2
193.00217	3.6
196.04646	0.9
197.03090	0.9
197.06622	1.4
199.04568	0.8
201.00757	0.8
201.06079	8.0
203.03954	6.4
203.07651	2.4
204.04156	0.7
205.00188	1.7
205.03798	1.1
211.04607	1.7
212.07745	1.0
213.06087	5.9
215.04002	2.0
219.01834	3.3
219.07213	4.7
221.05069	28.8
222.05327	1.0
223.01343	1.6
223.04805	1.3
226.05728	1.0
231.01805	1.0
231.07256	2.5
233.08772	0.9
237.02835	8.4
239.06123	1.1
241.05685	1.0
243.07248	2.1
245.05183	0.9
245.08875	1.5
247.01250	0.9
247.04880	1.4
251.04193	1.0
257.05063	0.8
259.06534	1.0
260.04379	0.9
261.08215	37.5
262.08347	0.9
273.02890	1.3
275.06079	1.0
277.02344	0.9
277.07751	0.8
279.04059	2.0
279.09296	44.5
280.09576	2.0
284.10046	1.0
291.03864	1.1
295.07059	1.8
299.06271	1.0
302.10895	2.2
304.05560	1.8
304.55722	1.1
305.05377	1.1
335.06607	0.9
335.11642	4.1
345.10367	3.6
353.07236	1.0
357.10266	2.2
361.02414	1.1
365.06879	0.7
375.11496	2.2
393.12442	100.0
394.12759	4.7
435.13495	0.9
439.60397	0.8
453.05353	1.8
453.13571	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	453.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
65.03942	1.5
67.05508	0.5
69.03413	0.6
70.06590	0.3
71.30899	0.5
71.69000	0.2
72.08150	0.5
81.03403	0.4
83.04980	0.4
85.02905	0.3
91.05481	12.1
93.03383	0.4
95.04945	0.6
97.02882	0.8
104.61291	0.2
109.02905	0.3
111.04458	0.5
118.91369	0.2
119.04942	24.0
121.02862	2.4
123.04433	0.3
125.02370	1.4
137.06049	0.2
139.03914	0.5
145.02849	0.5
147.04407	100.0
148.04741	1.2
165.05466	4.3
167.03391	0.7
177.05438	1.0
185.04486	2.6
271.04370	0.3
291.13156	0.3
367.13556	0.2
409.15073	0.5
435.09229	1.1
453.13751	4.1
453.20444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05502	0.7
57.03450	0.3
57.07056	0.3
60.81282	0.2
65.03942	1.7
67.05516	1.3
67.05814	0.3
69.03415	0.9
69.07058	1.0
71.04996	0.3
71.61047	0.3
73.02923	0.3
79.05495	0.7
81.03418	0.9
81.07048	1.7
81.73338	0.2
83.04978	0.5
83.08610	0.5
84.08127	0.2
85.02906	1.0
87.00835	0.4
91.05483	13.3
91.86677	0.2
93.03426	0.5
93.07048	1.0
93.37174	0.2
95.04967	1.1
95.08601	1.6
97.02885	1.6
97.06525	1.0
99.04457	0.3
99.08080	0.4
100.11234	0.7
105.01810	0.3
105.07030	1.4
107.08588	1.0
109.02880	0.9
109.10162	0.9
110.92793	0.2
111.04427	0.6
111.08010	0.2
117.07067	0.3
119.04943	25.6
119.08573	1.6
120.05293	0.4
121.02869	2.7
121.10149	0.9
123.11721	0.5
125.02380	1.9
127.03912	0.6
129.07001	0.2
131.04929	0.6
131.08560	0.8
133.10130	1.3
135.11804	0.5
139.03900	0.5
145.04919	0.3
145.10103	1.8
147.04410	100.0
147.11678	0.8
148.04761	1.6
149.13245	0.3
157.10175	0.3
159.02882	0.4
159.11671	1.3
161.05981	0.4
161.09669	0.3
161.13217	0.6
163.03876	0.5
163.14912	0.3
165.04163	0.3
165.05495	4.4
167.03391	0.4
173.13281	0.4
175.14946	0.5
182.15340	0.4
185.04465	2.0
185.13214	0.2
187.11179	0.2
187.14830	1.5
189.16399	1.9
199.14928	0.3
201.16367	0.7
203.17917	0.6
205.16016	0.3
209.16582	0.3
210.14977	0.4
217.97766	0.3
219.17511	0.3
259.09692	0.5
260.10159	0.4
261.11047	0.9
266.12073	0.3
331.08078	0.3
407.33090	0.8
435.09283	1.1
435.32648	0.4
441.19901	0.3
453.20706	0.7
453.33887	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.8
67.05492	1.1
69.03419	0.5
70.06583	0.3
70.97498	0.3
78.04712	0.3
79.83732	0.3
79.87103	0.3
81.03415	0.6
81.07052	0.7
85.02896	0.3
85.16839	0.3
91.05483	12.4
93.03399	0.4
95.04956	1.2
95.08589	0.5
97.02888	1.1
98.20730	0.6
107.08530	0.4
111.04426	0.4
119.04942	23.7
119.62659	0.3
121.02838	2.3
123.04440	0.8
124.05187	0.3
125.02382	1.6
133.06529	0.3
139.03929	0.5
147.04408	100.0
148.04782	1.1
155.07100	0.5
163.03934	0.5
165.05484	4.0
167.03401	0.9
167.05627	0.7
167.07048	12.8
181.04909	0.3
185.04451	2.3
211.09697	0.4
243.08798	0.4
291.06604	0.5
435.09180	1.0
444.89267	0.3
453.34534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01872	0.4
55.05511	10.6
55.56847	0.3
57.03436	7.5
57.07072	4.6
62.06074	0.5
65.84747	0.4
67.05503	9.2
69.07067	17.0
69.29193	4.0
71.04974	0.6
71.08628	2.4
72.29053	0.4
79.05496	5.3
81.07054	11.6
83.04946	0.9
83.08614	11.7
85.06539	1.0
85.10167	1.0
86.09682	1.2
91.05472	1.1
93.07042	7.0
95.08603	9.6
97.06521	2.2
97.10164	6.8
98.98467	0.5
99.08104	0.4
101.00622	0.4
105.07011	1.3
107.08598	4.7
109.10158	4.1
111.04459	0.4
111.08080	1.5
111.11721	1.3
119.08561	1.1
119.69502	0.3
121.10141	7.5
123.11711	1.5
125.00012	1.3
125.09628	1.1
130.65526	0.3
131.08553	0.4
133.10136	1.7
135.08078	0.7
135.11702	5.1
137.09521	0.4
137.13264	1.5
139.11171	1.2
143.08560	0.4
145.10066	0.7
147.04398	0.6
147.11665	0.7
149.13246	1.7
157.10071	0.5
159.11729	0.9
161.13268	0.6
163.03893	0.8
163.14798	0.9
171.11717	0.6
183.11797	0.4
184.07327	4.6
199.14850	0.4
203.17857	0.5
207.06567	1.5
216.06358	0.6
219.21045	1.2
237.22058	1.2
239.18095	0.5
280.26331	2.2
299.19943	0.5
301.21603	0.4
311.25797	100.0
312.26093	2.0
315.19452	0.5
317.20856	0.6
333.20526	0.7
466.98471	0.4
471.18164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
65.88920	1.2
67.05496	1.8
69.03418	3.0
69.07045	3.0
69.74249	9.3
70.06586	1.4
71.04987	17.6
73.06555	2.8
79.05505	7.7
81.03394	2.5
81.07057	26.9
83.04958	1.7
84.04479	1.4
84.08144	12.5
84.64017	1.5
85.02901	8.1
87.00810	3.0
90.71120	1.3
90.87417	1.5
91.05469	2.2
93.07030	10.4
95.08581	4.3
97.02882	4.3
97.06522	3.2
105.01846	5.8
105.07015	1.4
107.08575	10.3
109.02902	1.7
109.10127	6.8
119.08566	1.6
123.11698	5.4
126.51879	1.2
127.03921	10.6
127.11275	1.7
128.04243	2.0
133.10086	3.3
135.11694	19.3
139.11206	1.7
143.10695	3.7
144.10213	2.5
145.04979	1.5
145.61681	1.2
147.04408	3.6
151.11211	7.4
153.12746	100.0
154.13077	1.7
157.51059	1.5
161.09659	1.5
163.03915	5.5
166.69162	1.2
167.07062	4.1
169.12234	22.9
187.13217	1.7
204.15813	1.9
223.09189	1.4
231.04994	1.8
248.26396	1.4
288.14478	1.3
318.45712	1.5
452.22183	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	452.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14424	2.8
55.01860	3.1
55.05508	14.8
57.03439	9.8
57.07076	5.9
58.98295	3.0
67.05507	38.3
68.85947	2.8
69.07067	17.4
71.04995	3.3
71.08627	5.1
71.58812	5.2
79.05499	10.2
81.07059	39.1
83.05010	4.1
83.08619	11.3
87.18789	2.5
91.05455	7.0
93.07046	8.7
95.08601	26.4
96.08919	4.2
97.10169	9.3
98.98474	29.2
105.07033	8.2
107.08604	10.5
109.06530	4.6
109.10158	16.2
115.07545	3.5
119.08572	8.5
119.85461	2.8
121.10150	5.6
121.52493	2.8
123.11688	5.2
128.72256	2.7
130.51120	2.9
133.00026	3.1
133.10126	7.1
155.01007	14.1
173.02061	6.9
178.15550	2.7
245.22874	5.7
246.56294	2.9
263.23679	16.7
266.38113	2.6
299.25656	3.2
305.13449	2.9
316.58707	3.2
337.27383	100.0
350.61755	3.0
428.02106	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	452.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01871	4.3
55.05504	1.2
57.03432	3.8
58.82763	0.8
61.02914	3.6
67.05498	3.4
68.99787	1.7
69.03427	20.4
69.07046	1.8
70.62015	2.7
70.62358	0.8
71.04991	12.5
71.08627	11.0
73.02907	3.4
81.02975	1.3
81.03415	15.6
81.07058	6.3
82.47079	0.7
85.02901	63.7
85.06544	1.1
87.00827	24.9
87.01350	1.6
91.05516	1.9
93.07040	1.5
94.70723	0.8
95.04973	1.0
95.08611	1.2
97.02894	27.8
97.06531	3.0
97.92007	0.9
98.06887	1.2
99.04449	9.0
99.08096	10.7
101.02445	0.8
105.01862	37.8
105.07018	2.1
107.08602	2.1
109.02873	32.3
109.10152	5.9
109.93658	0.8
117.01862	1.2
119.29004	0.8
122.98239	0.8
123.11676	1.7
127.03909	50.5
129.01837	2.3
133.10101	6.5
141.12735	87.8
142.13066	1.4
145.04950	16.2
147.02892	1.6
147.04401	1.5
151.11217	5.9
151.91960	0.8
159.02917	5.4
163.03981	1.1
167.07062	1.0
169.12234	100.0
170.12662	1.9
171.02870	1.0
187.13292	19.2
189.03983	2.3
213.03914	7.7
215.07021	1.1
216.07466	1.5
231.04974	17.8
249.06087	4.3
259.09619	1.7
260.09912	4.3
295.15445	4.7
399.16415	3.5
471.61517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.5
53.03944	4.5
55.01863	5.7
55.05503	4.7
57.03429	3.8
59.05009	14.5
61.02914	5.9
63.55575	1.3
67.05492	5.4
69.03430	24.2
70.03719	2.0
70.06589	1.8
70.18293	6.4
71.04997	8.4
73.02921	4.3
75.00848	1.7
76.45868	1.3
78.47893	1.4
79.05491	6.1
81.03417	18.6
81.07060	27.9
81.58581	1.3
83.08605	3.7
85.02905	53.7
87.00829	22.3
87.04471	10.1
89.03911	6.2
91.03961	2.3
91.05484	15.7
93.07043	69.0
94.07378	2.0
95.04955	5.7
95.08610	5.2
97.02893	20.3
97.06487	2.2
98.97593	2.9
99.04450	7.7
105.01863	20.5
105.07024	14.2
107.08591	10.8
109.02883	16.5
109.06509	4.7
109.10146	6.7
111.08079	59.2
117.03381	5.4
118.03743	2.9
121.10171	7.8
123.08009	2.7
123.11712	22.4
127.03917	79.8
128.04236	18.6
128.05092	2.1
131.08569	1.5
133.10138	21.0
133.38065	1.5
135.04414	12.2
136.04733	6.5
145.02837	7.4
145.04953	11.4
146.03175	5.1
151.11191	66.8
152.11458	1.9
159.02881	7.7
163.03908	100.0
164.04237	60.4
165.04359	3.1
167.07030	1.5
169.12244	86.0
170.12625	1.9
187.13293	49.6
198.69569	1.5
231.04996	8.3
248.78220	1.5
249.06027	2.6
287.05417	5.1
288.05844	10.0
289.05945	7.0
290.06335	11.2
307.08249	2.7
308.08478	6.7
326.09506	4.5
327.07574	3.8
342.67279	1.5
351.45877	1.8
369.08575	1.9
370.16739	1.7
381.15503	1.7
399.16425	1.9
401.38483	1.5
417.17731	4.2
453.11639	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	452.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.0
55.05511	0.7
57.03447	0.8
61.73352	0.5
65.03918	0.7
67.05508	1.7
69.03431	3.2
69.07065	0.9
69.77883	2.1
69.78291	1.4
71.04990	11.6
79.05494	15.4
81.03427	2.5
81.07057	98.7
82.07413	1.0
83.04977	6.4
83.08589	0.6
85.02899	7.0
85.06517	0.7
87.00819	2.6
89.06016	0.5
93.07028	1.0
95.04994	0.9
95.08618	0.9
97.02890	4.0
97.06509	1.4
99.04459	0.9
105.01851	3.3
107.04957	0.6
107.08600	2.1
109.02874	2.6
109.06472	0.6
109.10161	3.0
116.91457	0.5
117.03412	0.8
121.10124	0.7
123.11713	5.4
127.03916	40.4
128.04256	14.1
133.10092	0.7
135.04410	1.6
136.04752	1.5
137.60265	0.6
139.11153	2.9
145.02824	1.9
145.04950	2.1
151.11201	5.0
155.57680	0.6
157.12239	1.8
159.02924	1.6
163.03908	12.4
164.04231	10.7
169.12241	100.0
170.12529	0.9
187.13312	12.2
213.58069	0.5
231.04961	1.1
258.01117	0.6
277.45792	0.6
310.78119	0.6
325.09256	1.0
326.09537	2.9
452.21255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01863	5.6
55.05513	11.3
57.03439	4.9
58.99220	1.6
60.51639	1.5
61.02916	1.8
65.03933	3.9
67.05508	23.6
69.03420	6.3
69.07062	5.4
69.39063	4.5
69.39478	14.2
70.06578	2.5
71.04988	7.1
73.02919	3.6
73.06553	3.8
79.05059	3.2
79.05493	45.3
81.03428	3.3
81.07055	16.2
82.07382	2.0
82.20707	1.7
83.04949	3.6
85.02917	8.8
86.09688	2.4
91.05496	14.0
93.06556	2.5
93.07061	32.1
95.01333	3.7
95.04971	26.5
95.08597	8.0
97.02884	3.9
97.06535	14.9
98.06880	3.3
105.07035	16.0
107.04946	13.1
107.08600	100.0
109.02861	1.8
109.06499	3.8
109.10128	2.1
111.04420	3.1
116.58144	1.9
116.98660	2.7
119.04942	5.2
119.08587	5.5
121.06462	2.3
121.09324	3.1
121.10152	49.9
122.10439	2.3
123.11719	3.8
125.05994	5.4
125.09640	3.4
127.03918	4.2
131.08575	16.4
133.10101	4.6
135.11685	2.6
137.28902	1.7
139.07602	2.4
139.11128	2.3
141.01836	10.5
145.10091	2.4
147.04425	25.0
147.11699	1.9
148.04692	2.4
149.09624	66.4
151.11192	5.4
159.02937	2.3
161.01244	2.1
161.02443	3.0
161.05943	2.7
163.03880	7.0
164.04233	3.8
167.06993	2.0
167.10696	45.1
169.12286	1.9
173.02316	3.5
174.02617	1.8
175.11079	1.8
175.14894	2.7
181.08611	4.6
189.09128	2.0
215.06973	4.8
216.07376	10.4
237.14780	4.6
237.18413	6.9
241.14345	20.1
255.15887	7.5
259.09772	11.9
259.12756	3.6
259.15405	34.7
260.09976	20.5
290.10223	4.1
307.11957	3.0
325.12888	2.5
343.13858	6.7
343.67065	2.0
399.22314	1.9
424.12073	1.9
452.16089	12.3
452.21985	2.5
452.32483	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	452.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.6
53.76858	1.1
55.01870	5.7
55.05501	3.4
57.03418	4.0
57.07065	1.4
58.72951	1.2
59.04999	9.0
61.02909	3.9
67.05495	4.1
68.99788	2.1
69.03078	1.6
69.03431	24.4
69.07057	3.3
71.04998	20.1
71.11253	2.2
72.88019	1.1
73.02910	5.8
79.05495	6.7
81.03420	22.1
81.07056	36.3
83.04977	4.8
85.02905	54.6
85.06528	3.9
87.00829	20.5
87.04471	7.3
91.03925	1.7
91.05492	1.9
93.07044	7.6
95.04944	3.8
95.08594	3.3
97.02888	18.4
97.06528	10.2
99.04452	10.7
99.08082	2.2
105.01871	16.4
105.07025	3.2
107.08597	10.2
109.02881	23.1
109.06485	5.6
109.10152	14.4
111.08092	2.1
112.81659	1.1
113.06016	2.1
115.07546	2.0
117.01857	3.6
121.10130	3.6
123.08160	1.3
123.11713	19.9
125.09631	2.7
127.03915	38.7
127.11223	2.8
129.01808	3.4
133.10144	5.9
139.11177	6.8
145.04944	15.0
147.02867	1.3
150.04419	1.2
151.11182	35.8
157.12224	4.1
157.42982	1.2
159.02905	15.9
169.12242	100.0
170.12625	3.1
179.07431	1.3
187.13277	30.9
203.07037	1.9
204.07416	2.1
213.04002	2.1
231.05072	7.9
249.06076	2.4
402.14157	1.1
452.21286	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.3
57.03439	7.5
57.07085	4.4
67.05168	1.3
67.05501	12.4
69.07062	17.9
70.79298	2.8
71.08622	3.1
72.25939	0.9
78.84092	0.8
79.05498	6.1
81.07051	11.8
83.08614	13.7
85.10150	1.1
93.07032	7.6
95.08602	13.2
97.06532	1.6
97.10177	7.6
99.08118	0.9
105.35278	1.0
107.08587	5.4
109.10148	5.7
111.08070	1.7
111.11721	2.5
113.00012	51.1
121.10159	5.8
123.11728	1.7
135.11713	4.7
149.13266	2.7
150.24461	1.0
169.02606	43.0
179.61813	0.9
187.03699	2.5
242.20457	0.9
247.24214	1.2
265.25339	1.8
339.28928	100.0
340.29349	4.8
454.00964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11192	7.1
55.05499	35.3
56.96558	14.9
57.85088	7.3
65.03923	8.0
67.05496	52.5
69.03407	10.5
69.07066	20.3
71.04971	9.8
79.05494	28.3
81.03413	12.2
81.07063	61.2
83.04969	27.3
83.08611	14.9
85.02904	18.3
85.06525	8.3
91.05492	56.7
93.07040	57.7
95.04971	22.3
95.08601	48.2
95.54098	7.8
97.06529	24.7
97.10172	12.5
104.88739	7.2
105.07020	53.5
106.07351	7.9
107.08602	53.6
109.02950	9.4
109.06535	13.9
109.10158	69.6
111.04449	20.0
111.08082	13.0
117.07024	17.8
119.08566	74.3
121.06449	13.9
121.10098	45.6
123.08070	18.0
123.11710	20.0
125.09645	8.9
127.03906	19.8
131.08568	30.6
133.10132	58.2
135.04474	9.6
135.08049	42.2
135.11703	25.7
137.06007	11.1
137.09660	22.6
142.07805	9.2
143.08562	13.5
145.10178	38.9
147.11700	35.4
149.09671	10.1
149.13240	10.1
151.11179	10.5
153.01746	8.2
155.08614	11.6
157.10120	28.7
158.10637	8.4
159.11690	35.6
161.09712	11.5
161.13248	28.1
163.03876	30.2
163.11127	9.3
163.14838	12.4
171.11699	20.5
173.09668	11.6
173.13231	24.0
175.11272	7.5
175.14886	13.9
177.12804	9.6
183.11719	15.6
185.09682	11.4
185.13213	18.1
187.11134	13.7
187.14845	22.6
189.09026	7.7
189.12665	10.0
189.16379	16.5
197.13214	18.6
199.14815	11.5
201.12769	15.0
201.16397	18.2
203.14326	16.0
203.18019	10.5
205.12354	8.5
209.13220	9.2
213.16298	12.7
215.10638	8.8
229.12222	22.6
239.17807	12.7
243.13741	14.8
257.18930	12.6
271.16919	11.5
271.20575	9.6
281.19006	11.8
285.18475	15.0
299.20071	64.6
300.20596	10.9
316.19864	15.1
317.21124	100.0
331.19193	13.8
349.20096	9.4
387.21518	19.0
433.25726	30.0
451.22549	9.4
451.32364	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	451.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
55.01875	11.2
55.05508	10.3
57.03426	6.4
57.07052	3.5
59.13110	1.7
60.59119	1.7
61.02913	5.2
62.59868	1.6
65.03921	2.5
67.05508	22.3
68.99781	6.9
69.03073	2.8
69.03428	42.0
69.07070	19.6
69.38712	17.0
70.06599	1.7
71.01357	1.7
71.04995	15.8
73.02915	4.9
79.05492	19.1
81.03423	26.8
81.07059	36.0
83.04985	8.7
83.08611	5.1
84.04475	2.4
85.02907	34.8
85.06511	2.3
87.00830	18.0
89.03930	2.1
91.05469	20.4
93.07041	28.0
95.04961	13.1
95.08607	44.8
97.02903	19.6
97.06530	71.0
97.10146	1.7
99.04480	7.9
99.08095	3.7
103.03956	5.4
103.05431	3.3
105.01868	7.1
105.07034	36.9
106.83405	1.5
107.04962	5.1
107.08595	32.3
108.08901	1.6
109.02882	15.1
109.06532	8.0
109.10157	29.3
111.04423	8.6
111.08100	2.5
111.11767	1.7
115.03937	6.1
117.01828	2.9
117.03392	5.0
117.07026	9.6
117.07751	1.4
119.04962	3.2
119.08579	42.1
121.06506	6.6
121.10143	24.4
123.04427	5.5
123.08045	7.6
123.11703	14.0
125.09632	2.8
127.03929	24.3
127.07578	2.7
127.11198	7.2
128.06175	4.1
129.01872	5.7
129.07001	6.6
130.07764	2.4
131.04890	1.8
131.08569	19.7
133.02893	2.9
133.06467	4.9
133.10124	25.9
135.04398	9.8
135.08047	4.6
135.11700	13.6
137.05951	7.5
137.09616	6.5
139.03847	1.8
139.11191	2.7
141.07036	3.6
142.07788	7.1
143.08549	13.7
144.09360	2.4
145.02820	4.7
145.04942	5.5
145.06474	2.9
145.10117	36.5
147.02931	2.7
147.08069	5.6
147.11700	23.0
149.05977	2.4
149.09596	5.2
149.13240	11.2
151.07539	2.6
151.11201	1.8
155.08556	8.7
156.09334	4.3
156.44319	1.6
157.10136	19.6
158.10870	2.1
159.02882	8.0
159.04240	3.2
159.08076	5.5
159.11705	30.2
161.02351	17.1
161.09627	4.4
161.13252	11.9
163.03917	45.8
163.07549	3.3
163.11156	2.7
163.14821	2.0
165.06976	2.9
165.09131	2.0
165.12840	2.4
167.08594	3.0
167.10652	2.3
169.10152	8.5
170.10742	1.7
171.02928	1.9
171.08139	3.3
171.11665	16.1
173.02321	22.4
173.05988	2.3
173.09637	4.7
173.13272	14.6
175.11227	7.2
175.14813	6.5
177.09174	1.9
177.16357	2.2
179.07019	2.1
179.08533	3.1
179.10756	2.3
181.10150	6.0
182.07054	1.6
182.10899	2.7
183.11693	11.9
185.09656	3.6
185.13200	9.7
187.11230	3.7
187.14833	15.2
189.03963	5.5
189.09137	4.0
189.12790	6.2
189.16367	21.0
191.03198	2.2
191.10686	3.1
191.17847	2.1
192.09349	1.9
194.10960	2.4
195.11705	6.1
197.09799	1.6
197.13269	7.4
199.11240	3.9
199.14873	5.7
201.03941	6.1
201.12804	5.4
201.16402	23.4
203.14340	2.5
203.17961	12.3
207.11754	4.4
209.13388	4.4
210.10240	1.9
211.14816	3.9
213.16388	11.3
215.07042	33.8
215.18024	12.6
217.12326	2.4
217.15999	2.4
218.10780	1.8
219.17499	4.3
223.14862	3.1
225.12769	10.4
225.16420	4.2
227.14404	3.9
227.17990	6.8
229.15820	2.6
231.05037	3.9
231.13911	2.3
231.17462	5.7
233.19011	3.7
237.12828	2.0
237.16473	2.2
239.14359	2.4
241.15944	6.4
243.13773	7.1
243.17508	4.9
245.18947	7.8
251.18106	3.4
255.17610	1.9
257.18994	3.3
259.09665	100.0
259.17068	2.6
260.10007	5.0
261.18600	3.1
265.19415	2.4
269.19058	3.8
275.20255	1.9
283.20602	2.8
287.20093	4.5
293.18973	5.6
311.20135	17.2
329.21078	13.6
339.14435	1.9
347.14841	2.6
347.22202	4.6
365.23111	3.2
389.22852	2.3
405.31598	2.4
406.24234	2.1
407.24246	3.9
415.21170	10.2
415.26022	2.4
433.22183	18.1
451.23273	66.2
451.30988	3.1
451.32065	3.9
452.23483	3.0
478.17737	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.9
53.03938	5.7
54.68392	1.6
55.01867	10.5
55.05509	10.9
57.03432	8.2
57.07073	2.9
60.08178	1.4
61.02916	3.6
65.03899	1.8
67.05507	17.2
68.99781	5.1
69.03073	2.8
69.03425	38.3
69.07063	20.3
70.98099	3.3
70.98471	2.9
71.01365	2.2
71.04990	12.3
73.02919	3.2
79.05486	20.9
81.03417	25.3
81.07054	32.6
83.04994	8.3
83.08609	4.2
85.02907	33.9
87.00832	17.3
87.04453	1.5
89.03898	3.5
91.05476	18.1
93.07037	29.7
95.04963	9.8
95.08045	2.9
95.08607	35.5
97.02891	14.9
97.06531	70.9
97.10139	1.9
98.03104	1.5
99.04437	6.8
99.08089	3.4
103.03939	6.4
105.01883	7.4
105.07026	38.0
107.04932	8.2
107.08591	25.6
107.93728	1.7
109.02872	12.2
109.06534	8.8
109.10155	27.4
111.04447	8.9
111.08085	3.0
115.03899	7.8
115.05407	2.1
117.03367	3.8
117.06995	7.9
119.04953	2.5
119.08575	39.9
121.06537	7.8
121.10130	21.0
123.04424	6.7
123.08093	6.0
123.11708	10.8
125.09654	3.7
127.03918	20.3
127.07553	3.5
127.11205	5.8
128.06210	3.0
129.01833	5.2
129.06999	6.4
131.04939	2.5
131.08566	16.3
133.02849	2.9
133.06525	1.9
133.10126	27.4
135.04436	11.6
135.08067	3.8
135.11674	13.6
137.05966	6.7
137.09601	7.0
139.11198	2.6
141.07001	2.6
142.07799	5.5
143.08524	15.8
144.09387	2.7
145.02843	4.0
145.04959	4.0
145.06450	3.2
145.10120	34.5
147.02905	2.4
147.08047	5.6
147.11684	22.4
149.09697	3.4
149.13248	12.0
151.11151	3.0
154.07745	1.9
155.08585	5.9
156.09407	4.5
157.10138	17.7
159.02899	7.8
159.04335	2.2
159.08054	5.0
159.11694	31.4
161.02328	13.8
161.09673	4.4
161.13220	10.8
163.03908	49.4
163.07535	2.5
163.11203	3.3
163.14804	2.0
165.09087	2.0
165.12852	1.8
167.08572	3.2
169.10127	9.2
171.08046	3.4
171.11659	15.5
172.01047	1.9
173.02353	22.8
173.09622	4.7
173.13292	15.0
175.07489	2.0
175.11246	4.3
175.14847	9.5
177.12885	1.9
177.16313	3.9
179.08539	2.2
181.10109	6.1
183.11642	9.3
185.05986	2.3
185.09633	5.9
185.13243	8.6
187.11240	5.8
187.14827	13.8
189.03940	5.5
189.09126	3.7
189.12714	2.9
189.16368	25.4
191.10678	2.0
191.14345	1.9
192.09418	2.6
193.10045	2.0
195.11729	4.8
197.09489	2.4
197.13237	5.9
199.11119	2.1
199.14838	5.3
201.03986	5.3
201.12714	3.8
201.16391	21.6
203.14398	3.5
203.17921	13.8
207.11731	4.2
209.13289	2.6
211.14799	3.0
213.12717	2.6
213.16336	10.4
215.07034	38.3
215.14481	2.2
215.17955	11.4
217.12296	2.4
219.17393	5.8
221.13309	2.3
223.14751	3.7
225.12871	9.1
225.16331	4.4
227.14337	3.8
227.17935	6.6
229.15805	2.6
231.04984	3.6
231.17484	5.8
233.19119	4.4
237.12764	1.7
237.16229	1.9
239.14482	1.9
239.17944	3.9
241.15858	4.4
243.13876	4.7
243.17422	8.0
245.19028	6.6
257.19128	2.0
259.09650	100.0
260.09991	5.2
261.18536	3.0
265.19583	2.4
269.19104	4.1
275.20187	3.9
283.20535	2.3
287.20209	3.2
293.18976	6.5
311.19968	19.1
329.21109	13.8
347.09598	1.4
347.15079	3.1
347.22116	5.8
357.03055	1.7
365.16089	2.0
365.23282	1.9
397.20175	1.6
405.31467	3.2
407.24408	2.8
415.21280	9.8
433.22171	17.6
451.23273	64.1
451.30853	3.4
451.32230	2.9
452.23535	2.5
469.57126	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01873	13.3
55.05505	12.0
57.03434	6.3
61.02929	4.1
63.43772	1.6
67.05505	25.9
68.99770	4.6
69.03075	3.4
69.03429	44.3
69.07059	11.7
70.64409	5.9
71.04974	4.5
73.02917	5.9
79.05492	26.4
80.21192	2.0
81.03424	22.0
81.07056	52.4
83.04972	8.5
83.08614	3.4
85.02905	52.8
85.06538	2.1
87.00825	17.7
87.04454	2.2
91.03928	2.4
91.05479	28.2
93.07045	53.3
93.38973	1.7
95.01328	3.0
95.04955	23.0
95.08604	100.0
97.02883	28.9
97.06523	20.4
97.10160	3.8
99.04451	5.8
103.03931	6.4
103.05456	2.7
105.01849	9.4
105.07028	67.5
107.04972	16.5
107.08595	46.4
109.02871	4.2
109.06519	12.7
109.10159	27.4
111.04439	7.8
111.08087	3.0
113.05984	2.1
115.03926	11.3
117.03359	2.6
117.07018	13.7
119.08578	61.5
121.06490	16.2
121.10146	48.2
123.04440	9.3
123.08070	8.2
123.11667	6.0
125.05988	6.9
125.09617	7.3
127.03905	18.3
127.07524	2.0
127.42006	2.0
128.06226	3.9
129.01846	3.9
129.07010	6.4
131.08556	19.9
133.06474	12.2
133.10141	32.9
135.04417	2.5
135.08058	11.2
135.11676	9.9
137.09584	5.7
141.07013	2.9
142.07785	4.9
143.08575	19.6
145.05069	2.0
145.06487	3.5
145.10118	41.6
147.02898	3.9
147.08089	6.1
147.11687	48.1
149.05997	5.1
149.09598	4.7
149.13255	5.7
151.07541	46.1
151.11157	3.4
154.36002	1.8
155.08588	6.6
156.09351	4.3
157.10139	32.2
159.02872	2.9
159.08093	3.2
159.11678	25.9
161.09644	14.4
161.13248	14.4
163.03946	8.7
163.11214	4.6
163.14755	1.8
165.09096	3.1
167.08563	3.5
169.08614	6.5
169.10146	13.6
171.02896	3.5
171.08066	3.1
171.11676	19.4
173.09622	2.8
173.13280	8.3
175.11272	4.5
175.14807	3.9
177.12796	2.7
177.45813	2.1
179.10597	2.7
179.14226	2.3
181.10033	3.7
183.11642	10.3
185.09630	2.2
185.13298	13.2
187.11247	4.4
187.14825	19.6
189.03926	7.9
189.08992	3.4
189.16380	61.8
195.11740	4.9
197.13280	6.4
199.11101	2.6
199.14824	5.5
201.03990	7.3
201.12683	3.3
201.16394	24.8
203.17979	13.4
205.15839	9.7
207.10120	2.6
209.13330	4.6
211.14772	9.0
213.16393	54.8
214.16743	2.8
215.07050	4.1
215.10892	2.8
215.17963	40.2
217.19560	2.4
219.05028	4.3
219.17323	2.2
223.14853	5.8
225.11194	6.3
225.16412	16.1
227.14424	2.4
227.17909	15.1
229.15901	2.8
231.04944	4.0
231.17355	4.5
237.16335	3.0
238.64977	2.2
239.17903	8.3
243.17450	8.9
245.19051	4.7
251.14429	2.4
251.17833	5.2
255.08678	2.5
255.17453	4.6
257.18976	7.6
259.09766	12.8
263.18079	2.3
265.19586	5.2
267.17462	2.6
269.15997	2.4
269.19019	10.9
275.17914	4.6
281.19098	4.1
283.20590	4.5
287.20047	1.9
293.18967	18.8
299.20041	2.5
311.19998	30.9
329.21057	23.5
347.22113	6.8
370.30283	2.1
397.20050	4.3
415.21155	23.2
433.22171	33.8
451.23117	30.5
451.32263	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.2
55.93526	3.1
56.96556	1.1
57.03431	3.5
61.02916	2.0
67.05498	1.6
69.03430	10.9
69.07059	1.3
70.06588	3.3
71.60421	1.4
72.08138	3.8
73.02919	1.1
79.05489	2.1
79.88869	1.0
81.03439	2.8
81.07062	1.9
83.04955	1.4
83.08648	1.5
84.04510	1.7
84.08162	1.9
85.02908	20.9
86.09715	2.7
87.04466	3.7
90.94814	1.4
91.05485	7.0
93.07050	1.5
95.04932	1.2
97.02877	10.3
105.07041	1.2
107.04964	1.2
107.08611	1.2
108.08103	6.4
109.02900	2.0
109.10174	1.7
111.04449	1.3
115.03232	1.1
115.03962	4.4
115.05429	1.1
116.01666	1.6
118.06557	3.3
119.04946	10.2
119.07295	2.3
120.08109	32.4
122.06014	1.1
124.07609	4.8
126.09168	2.5
127.03924	5.8
133.04990	5.2
133.07571	1.2
134.09650	1.1
136.07584	32.2
138.09163	3.3
140.07069	10.0
144.01154	1.2
145.04965	5.7
146.97488	1.2
147.04414	36.7
148.07564	9.3
150.07663	2.0
150.96877	1.2
152.07091	2.2
162.02238	3.1
162.09135	2.6
163.06021	3.9
164.07080	21.3
172.09969	1.1
173.30115	1.1
175.97598	1.2
178.08714	2.7
181.04893	1.4
182.08141	14.4
183.10350	1.5
186.11467	1.6
187.12312	4.6
193.98750	1.2
198.12898	1.2
199.08585	1.0
200.10789	1.3
206.08148	9.7
213.10332	2.1
214.11020	6.1
215.00000	1.5
215.06969	1.5
215.11768	6.4
215.15421	2.4
216.07382	1.1
218.97456	1.5
225.13898	3.4
226.12262	4.4
228.12527	5.8
242.14262	1.7
243.14944	49.9
244.15276	1.8
253.13405	2.5
253.98933	2.3
259.09692	2.0
271.03995	1.4
271.14432	72.1
272.14752	1.7
284.11237	1.9
287.99225	2.1
289.15482	100.0
290.15817	2.7
302.12415	5.0
306.13760	1.2
364.02499	1.5
367.98569	1.3
374.00809	2.7
392.01981	5.9
429.02814	1.3
435.52567	1.2
451.11176	2.3
451.21683	2.6
452.11469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83687	0.5
53.03932	0.6
55.01863	1.6
57.03420	0.9
67.05514	2.6
69.03421	1.6
69.06719	0.8
69.07068	10.2
70.80595	0.7
70.80982	0.8
79.05497	8.7
79.21772	0.6
81.07043	1.2
81.64547	0.5
83.04980	1.5
85.02904	1.0
89.03914	3.8
91.05483	1.3
93.07027	0.8
95.04966	1.6
95.08606	1.3
97.02885	1.1
97.06533	50.8
105.07021	1.4
107.04947	1.6
107.08590	0.8
109.10143	1.0
111.04433	0.6
114.30457	0.5
117.03371	5.3
118.46903	0.4
119.04958	0.5
119.08562	1.9
121.10161	0.7
125.09623	0.7
127.07528	0.5
133.02783	0.5
133.10097	0.9
134.03619	3.8
135.04422	10.0
137.05969	0.9
145.02855	10.8
145.10065	0.6
147.04446	0.8
147.08101	0.8
147.11682	0.5
159.04427	1.4
161.02345	4.8
162.03061	0.6
163.03911	60.4
164.04236	0.8
171.11732	0.8
173.02354	12.3
177.05464	2.3
185.06079	0.7
191.03488	1.1
215.07028	16.3
217.15927	0.5
225.11295	0.9
241.08646	0.8
259.09665	100.0
260.10034	1.7
355.03409	0.5
401.10416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84014	0.5
55.01866	2.3
55.05530	0.6
67.05492	2.2
69.03413	1.1
69.06721	1.0
69.07072	14.9
70.07728	1.1
70.08129	2.3
75.33443	0.5
79.05500	5.4
81.03422	0.8
81.07046	1.4
83.04987	1.2
85.02893	0.8
85.34988	0.4
89.03912	3.6
91.05481	0.8
93.07066	1.3
95.04993	1.4
95.08631	1.1
96.34900	0.5
97.02892	0.9
97.06536	24.8
105.07053	1.7
107.04968	1.3
107.08590	1.0
109.10148	1.0
111.04472	0.8
112.45683	0.5
113.17293	0.4
116.75378	0.5
117.03385	7.0
117.07010	0.5
119.08571	1.5
121.10139	0.8
125.09656	0.6
127.03931	1.1
128.25618	0.5
131.08580	0.9
133.02853	0.6
133.10132	1.3
134.03644	2.3
135.04422	15.1
137.05968	0.8
143.08626	0.7
145.02843	13.6
145.10165	0.9
147.04427	0.6
147.11655	0.7
159.04356	0.6
161.02313	1.6
162.03142	1.2
163.03912	100.0
164.04247	1.1
186.05621	0.8
215.06982	1.0
217.05032	2.3
225.11195	0.6
241.08549	1.6
259.09671	93.8
260.10138	2.4
364.48199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.0
55.05510	2.7
55.99654	1.2
65.03926	1.8
66.36199	1.1
67.05507	7.0
69.03427	5.0
69.07066	3.6
70.97743	1.2
70.98074	2.8
71.04992	1.4
72.08128	1.1
77.77785	1.1
79.05505	6.3
81.03422	2.2
81.07059	4.2
83.04974	5.1
85.02907	4.4
86.09727	1.3
88.40633	1.2
89.03928	1.8
91.05479	4.1
93.07053	5.5
95.04967	13.0
95.08616	2.7
97.02843	1.6
97.06529	18.9
104.10756	1.5
105.07031	2.0
107.04958	1.5
107.08603	4.6
109.06505	1.2
109.10155	2.3
111.04425	3.3
115.05482	3.1
117.03422	2.1
117.07042	1.1
118.45548	1.1
119.04913	2.9
119.08583	3.2
120.08116	1.6
121.02880	1.4
121.10144	3.6
123.04438	2.9
127.03920	13.0
127.07549	1.5
128.06215	1.2
129.05478	2.2
129.07037	2.2
131.04889	2.1
131.08566	2.5
133.06512	1.8
133.10117	3.1
134.13771	1.3
135.04420	5.6
139.03876	2.6
141.07001	6.0
141.42534	1.1
142.07843	1.1
143.08574	3.7
144.05759	1.7
145.02914	2.9
145.10144	5.7
147.04445	8.7
157.06439	1.2
157.10167	2.9
159.04456	2.3
159.11708	1.2
160.05215	12.2
161.02415	2.0
161.05977	32.6
163.03906	38.6
163.11160	4.1
165.05531	2.7
167.07146	1.8
167.08604	4.4
169.06512	4.6
171.07993	2.7
173.02318	5.6
173.05991	2.9
175.03882	2.4
175.07524	1.8
177.05519	2.4
181.04964	1.3
184.07428	1.3
185.05968	2.6
185.09560	4.3
185.15454	1.7
187.07564	4.3
187.11020	5.3
189.09120	45.3
195.08067	7.8
198.06680	1.3
201.05513	2.8
201.08908	1.2
203.07010	1.9
203.10535	8.7
209.04436	1.9
213.09109	11.3
215.07021	58.9
217.08609	10.7
231.10185	5.4
241.08611	4.6
249.11237	1.2
259.09680	100.0
260.09866	1.3
277.10760	6.4
287.03723	11.4
287.05896	4.8
288.05817	6.4
289.05936	15.3
345.71237	1.3
365.15805	4.1
405.31808	1.4
407.16779	19.7
433.14896	2.3
451.15799	85.3
452.16400	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01875	3.5
55.05517	2.6
57.03440	2.2
67.05496	5.3
69.03424	4.8
69.07068	9.5
69.45593	7.0
70.06564	0.9
71.04996	2.4
73.02920	1.3
79.05499	8.8
81.03445	2.1
81.07074	9.3
83.04963	2.1
85.02901	9.7
85.06540	1.5
86.65379	0.8
89.03921	2.6
91.05475	3.4
93.07056	3.7
95.04978	3.0
95.08602	4.8
97.02905	3.6
97.06534	61.3
98.06886	1.3
99.04458	0.9
105.01894	1.4
105.07031	5.4
107.04958	3.2
107.08585	5.6
109.02898	2.3
109.06530	3.1
109.10165	3.1
111.04466	1.2
115.05495	0.8
117.03344	1.6
117.07055	2.0
119.04961	1.6
119.08582	6.2
120.08103	0.9
121.02869	1.1
121.06467	1.1
121.10173	3.9
123.08092	1.1
123.11737	3.8
127.03941	5.8
127.04795	0.8
129.07100	1.0
131.04912	1.3
131.08588	2.4
133.02852	2.4
133.10150	5.1
135.04417	5.6
135.08014	0.9
135.11691	1.3
137.05988	3.8
142.07776	1.0
143.08540	1.4
145.02846	3.8
145.10101	5.1
147.04410	5.1
147.08084	1.2
147.11732	3.2
157.10190	2.0
159.04422	4.2
159.08121	0.9
159.11694	4.0
161.02330	13.3
161.06027	1.5
161.09612	0.8
161.13264	1.9
163.02551	1.5
163.03912	30.3
163.14742	1.0
164.07092	4.6
165.12781	2.9
167.07001	2.1
167.10635	1.0
168.11089	1.1
169.10161	1.1
170.10947	1.0
171.11743	3.2
173.02357	26.5
173.09561	2.0
173.13364	1.8
175.14841	1.0
181.10228	0.8
181.14633	0.8
183.13879	1.5
185.06021	1.5
185.13245	1.5
187.07512	1.0
187.11174	1.0
187.14879	2.4
189.05510	1.2
189.16412	1.7
197.06018	1.4
199.14816	1.3
201.16408	3.0
203.14351	0.9
207.02925	2.5
211.14702	1.8
213.16344	1.2
215.07033	38.3
216.07481	1.0
229.15991	2.5
233.11641	4.2
241.08696	1.5
247.60559	1.0
257.17450	2.1
259.09668	100.0
260.09991	2.7
271.14432	1.7
271.16940	7.2
289.06195	1.1
289.15506	7.4
289.17966	1.8
319.07175	2.0
389.15723	2.9
391.13809	1.2
405.31552	1.6
433.14670	1.1
451.10794	2.1
451.15771	44.3
451.23120	8.3
451.32419	4.0
469.26862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79373	0.2
53.03931	0.6
55.01865	0.5
56.05027	0.5
57.03431	0.6
61.01136	0.2
61.02911	0.8
69.03433	2.0
71.22449	0.3
72.08135	0.3
73.02915	0.2
81.03429	0.9
83.04961	0.2
85.02904	8.2
87.04462	0.2
91.03984	0.3
91.98636	0.2
97.02887	2.4
98.97570	0.2
99.04482	0.4
100.53548	0.2
104.05341	0.5
109.02880	1.0
119.04923	0.2
123.34826	0.2
127.03915	100.0
128.04272	1.7
145.04945	1.7
147.04405	0.6
153.12770	0.2
158.10025	0.3
163.06029	0.3
174.96962	0.4
177.00668	0.3
177.05504	0.3
189.27086	0.2
203.12137	0.6
221.07585	0.2
231.11565	0.3
234.99008	0.3
237.02866	0.2
289.09146	3.3
317.09689	0.2
319.04523	0.2
451.12149	0.4
451.17874	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	451.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01880	0.4
64.75591	0.3
69.03429	1.9
70.64536	0.6
70.64868	0.3
79.05495	0.4
81.03437	0.9
85.02895	1.3
89.03895	1.7
97.02891	5.8
107.04941	0.5
109.02879	1.0
117.03371	2.0
127.03913	100.0
128.04251	0.8
135.04410	6.5
145.02846	5.2
152.16515	0.3
163.03902	42.9
164.04126	0.5
181.04955	1.9
215.07005	0.6
237.34274	0.3
259.09579	1.0
307.08139	1.0
325.09161	9.4
412.40494	0.3
428.87595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01876	0.4
55.05542	0.4
57.03433	0.5
67.05508	0.6
69.03427	2.2
69.07072	0.9
70.06586	0.8
71.05001	0.6
71.06905	0.3
71.59012	0.3
71.59435	0.5
71.60090	0.3
72.08150	0.6
72.69101	0.3
73.95484	0.3
79.05460	1.5
81.03423	1.6
81.07058	4.7
85.02917	1.5
89.03926	4.6
89.04428	0.6
91.05476	0.9
93.07056	0.7
95.08595	2.8
97.02911	1.2
97.06512	2.3
99.04454	0.7
105.07051	0.8
107.04931	2.2
107.08572	0.6
109.02872	1.4
109.10129	0.4
111.04432	0.4
117.03381	6.0
119.08585	0.8
120.08101	0.8
127.03917	100.0
128.04233	0.7
133.10217	0.4
135.04416	15.8
135.75987	0.3
137.05980	0.9
137.13232	2.2
145.02852	9.3
147.04405	0.4
153.01833	1.4
159.04420	0.7
159.11829	0.5
161.02341	0.7
163.03906	80.3
164.04265	0.7
173.02380	1.2
178.95047	0.4
181.04910	0.7
186.05534	0.4
187.29724	0.4
197.06010	0.5
215.07069	3.4
243.15898	0.4
255.26852	0.3
259.09641	5.4
289.06250	0.5
289.09082	2.3
307.08286	1.8
325.09186	1.2
451.26236	0.5
451.32123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01864	0.2
57.03440	0.2
63.02362	0.3
67.05482	0.2
69.03428	1.8
69.68967	1.5
71.04973	0.3
79.05488	0.8
81.02980	0.3
81.03420	3.8
81.07044	0.4
85.02917	1.3
89.03397	0.4
89.03916	4.3
91.05427	0.3
93.07050	0.6
95.04934	0.3
97.02887	0.6
98.20783	0.3
99.04444	0.4
107.04942	1.8
107.59936	0.2
109.02886	1.5
111.08044	0.2
117.03380	5.9
127.03917	48.0
128.04256	0.2
135.04417	14.5
145.02850	9.8
145.03807	0.3
145.04726	0.2
145.10071	0.3
163.03903	100.0
164.04222	1.7
169.12225	0.4
177.31570	0.2
181.04997	2.2
187.10918	0.5
187.13203	0.2
189.08966	0.3
203.10417	0.5
207.00793	0.2
215.07085	0.3
229.56454	0.2
259.09537	0.4
287.03748	1.8
288.05966	0.2
289.05630	0.6
289.09128	0.5
305.12094	0.2
307.08133	5.8
325.09201	3.2
333.21439	0.2
365.16010	0.3
407.16702	1.8
451.15747	8.9
452.16400	0.2
473.10519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01870	0.3
55.05510	0.3
57.03454	0.2
69.03432	1.6
69.46230	1.4
70.06599	0.2
71.05000	0.4
72.29881	0.2
79.05513	0.3
81.03416	1.2
81.07047	0.4
83.04980	0.3
83.08637	0.4
85.02912	1.1
86.09724	0.4
89.03920	1.7
93.07027	0.3
95.04964	0.2
97.02887	3.3
97.06538	0.3
98.09688	0.9
99.04456	0.5
100.11245	1.0
105.06999	0.2
107.04972	0.6
107.08569	0.2
109.02885	1.1
111.04420	0.3
117.03378	2.6
121.98898	0.2
127.03912	100.0
128.04265	0.9
128.07127	0.2
135.04407	5.1
145.02831	3.5
151.11157	0.2
163.03900	30.1
164.04222	0.3
167.10672	0.2
175.08701	0.3
181.04967	0.6
182.15398	0.4
184.07314	0.4
191.08153	1.5
210.14891	1.2
215.07005	0.4
243.08629	0.2
259.09583	0.3
289.06458	0.3
304.05200	0.2
307.08017	0.3
307.12878	0.5
325.09241	1.7
331.12729	0.3
337.21152	0.4
354.23792	1.1
415.14948	0.3
433.31470	0.3
451.16345	0.5
451.32840	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.0
55.32891	10.1
61.57204	10.1
67.05495	37.7
69.07053	18.4
71.57949	11.4
79.05492	29.2
81.07057	37.9
81.88636	9.8
83.04996	11.3
83.08613	13.3
91.05490	28.7
93.07038	49.3
93.53387	10.3
95.08603	48.7
97.06557	13.3
97.19225	10.0
104.99261	21.2
105.07039	50.8
107.08588	59.0
109.06488	15.1
109.10140	32.0
111.04446	16.3
117.07080	15.0
119.08587	100.0
121.10163	21.1
123.08048	12.6
131.08575	19.6
133.10150	54.3
143.08574	30.0
145.10106	31.5
147.11720	20.0
157.10153	24.8
159.10457	10.3
159.11722	36.3
161.13159	12.6
169.10132	14.0
171.11629	21.6
173.13240	12.1
197.92708	10.2
204.96965	11.7
233.96463	11.6
290.94330	11.5
317.21274	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	451.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46016	0.9
64.82012	0.9
69.03415	1.3
69.91315	6.6
75.07121	1.1
80.12701	0.9
80.39917	0.9
85.02856	1.2
97.93815	1.0
98.20786	1.6
119.01900	1.1
127.03931	2.2
132.03850	1.1
145.04967	1.3
156.84880	1.0
174.33653	1.1
177.04059	1.2
183.48782	1.0
202.95065	11.9
258.06665	1.2
259.67047	1.1
272.29395	1.2
309.03790	1.6
314.50598	1.1
407.29379	1.3
417.76794	1.1
451.04892	100.0
452.05310	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85735	1.4
56.96565	8.9
57.03424	2.8
69.03413	3.7
70.53395	5.3
70.98122	1.6
81.03425	1.5
84.96043	1.7
85.02900	5.8
86.09671	2.5
97.02885	5.8
98.20829	1.7
98.97567	8.0
110.97565	2.6
116.98640	5.2
127.03897	5.7
128.98601	3.2
131.01884	1.8
131.26099	1.3
133.03499	1.5
134.99667	2.1
146.99619	2.5
158.07986	1.4
158.99648	3.3
161.01175	1.7
161.02992	2.5
172.97554	1.8
173.02901	1.8
173.06610	2.2
177.00717	2.9
186.99231	2.0
188.97163	1.7
190.98608	2.8
191.04016	1.9
193.00331	2.0
203.04083	1.4
203.07591	2.0
207.01807	2.1
215.07671	3.5
219.01817	4.0
221.05035	2.7
223.01146	2.0
232.99640	3.5
237.02748	3.7
245.05086	2.1
248.99202	3.0
263.06161	2.2
281.01639	2.4
295.06992	3.3
305.10843	11.5
323.02966	1.9
360.59866	1.4
377.00302	2.0
451.04846	100.0
451.12335	5.4
453.44275	1.4
470.10266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88694	1.0
55.05513	4.8
57.07072	2.1
59.05003	1.9
65.03925	1.2
67.05170	2.0
67.05506	27.2
69.03422	4.9
69.07067	2.8
70.06577	1.5
70.59502	4.2
75.29483	1.0
79.05475	5.1
81.07051	14.1
81.20835	1.0
83.04996	1.8
83.08622	1.7
85.06554	1.2
88.07626	1.9
91.05479	7.9
93.07060	9.0
95.04981	2.4
95.08615	13.6
97.02896	8.9
97.06543	3.7
102.09151	1.6
103.05447	1.1
105.07039	18.2
107.04965	2.7
107.08596	16.3
109.06509	4.3
109.10158	100.0
110.10550	1.8
111.04451	5.1
111.08098	1.8
113.06017	2.1
117.07013	2.7
119.04964	1.7
119.08591	33.4
121.06477	1.3
121.10132	10.2
123.08059	6.4
123.11716	3.5
129.06931	1.1
131.08592	3.7
133.06516	7.2
133.10135	27.4
135.08049	2.9
135.11714	2.9
137.09604	4.6
142.07800	1.3
143.08562	4.8
145.10118	7.2
147.04425	1.7
147.08051	14.1
147.11700	2.3
149.02361	4.7
149.09663	2.1
151.07565	1.2
151.11198	2.4
157.10127	2.6
159.11710	3.7
161.09595	14.6
163.07610	1.3
163.11179	3.3
163.14810	1.6
165.09108	19.0
167.10649	1.3
169.10051	1.8
171.11728	3.0
173.09663	1.2
175.05930	1.1
175.11252	1.7
179.10670	11.7
185.09679	2.0
185.13234	1.1
187.11218	4.3
187.14845	11.2
189.09094	12.8
193.04971	6.0
201.12753	1.4
205.12178	1.8
205.15891	12.0
207.10155	18.7
209.11769	3.9
213.12743	1.4
217.12282	1.2
219.13806	1.4
225.11221	68.1
227.18054	1.3
231.13902	1.4
233.18935	1.2
237.16422	1.5
245.11716	1.4
251.17894	1.5
255.17465	1.1
256.26511	1.6
269.19070	3.2
272.61792	1.1
273.18652	1.8
279.17542	1.3
284.29391	1.9
287.20016	2.6
291.25830	1.2
297.18414	7.6
315.19528	18.7
333.20639	18.7
450.32309	9.8
451.28516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01875	1.7
55.05499	5.1
57.07064	2.5
57.45684	1.4
67.05497	13.3
67.47852	1.3
67.64449	1.8
69.07053	5.7
70.10210	3.3
70.10616	4.2
71.48681	1.3
74.09703	4.0
75.28459	1.5
79.05492	6.6
81.03441	3.6
81.07068	14.2
83.04986	4.8
83.08622	5.5
85.06528	6.0
91.05493	9.0
93.07050	12.9
95.04983	4.0
95.08607	20.4
97.06519	5.7
97.10173	2.8
98.20827	2.7
99.04448	11.6
105.07031	13.9
107.04951	2.9
107.08597	22.9
109.06516	2.7
109.10163	22.7
111.04444	14.8
111.08101	5.3
112.20704	1.5
117.07003	3.7
119.08575	28.8
121.06509	1.9
121.10143	15.3
123.08057	3.1
123.11685	6.6
125.05939	1.9
129.06969	1.6
131.08560	5.9
133.10133	23.5
135.08060	6.2
135.11711	7.5
137.05998	1.8
137.09613	8.0
143.08582	5.5
145.10109	11.8
147.08087	2.1
147.11714	13.4
149.09612	2.6
149.13248	4.1
151.11142	8.4
156.09369	3.0
157.10101	8.4
159.11679	14.4
161.09581	1.7
161.13290	7.8
163.11223	2.7
163.14799	14.8
165.09076	2.2
169.10089	4.1
171.11684	6.6
173.09662	2.7
173.13264	5.0
175.11191	3.1
177.12778	1.9
179.10638	1.6
183.11688	4.1
185.13287	2.7
187.11197	4.9
187.14847	4.3
189.16356	4.1
191.10602	1.7
193.12270	2.7
197.09668	1.9
197.13234	5.5
199.14796	3.5
201.16408	3.8
205.12192	4.4
205.15919	3.6
207.17426	2.4
211.11191	2.6
211.14894	3.6
213.16322	4.6
215.14346	2.0
215.17896	2.7
216.14871	1.5
217.12154	1.8
219.13760	1.8
229.12251	4.8
229.19440	1.7
239.14517	1.6
239.17929	5.6
243.13829	2.8
253.19521	4.5
255.17458	2.2
257.19046	9.8
271.20590	5.3
275.20099	12.9
281.19034	5.1
289.21616	2.1
299.20038	46.8
317.21112	100.0
318.21481	4.5
344.31537	3.2
450.37921	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	450.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.05292	2.6
55.05515	22.5
55.80310	1.7
57.07072	2.3
59.39153	2.3
67.05499	18.8
67.52860	2.0
69.03422	3.3
69.07057	12.7
71.04994	2.2
71.57313	3.0
79.05473	12.7
80.05837	2.1
81.07062	21.5
83.04977	19.5
83.08625	10.2
84.75919	1.8
85.06547	6.4
91.05482	14.1
93.07053	29.8
95.04968	4.2
95.08053	3.6
95.08613	54.4
97.06551	5.2
97.10169	7.2
105.07030	26.1
107.08589	31.1
109.06487	3.1
109.10154	42.6
111.04435	10.5
111.07304	2.0
111.08092	6.0
117.07000	4.9
119.08575	49.1
121.06544	2.8
121.10140	37.3
121.10918	3.3
123.08046	5.3
123.11691	13.2
127.03890	4.9
129.06990	4.0
131.08594	12.1
133.06465	2.8
133.10126	34.6
135.08047	6.3
135.11676	23.3
137.09615	7.8
139.07454	2.2
142.07785	4.7
143.08546	8.2
144.09358	2.8
145.10114	25.2
147.08086	2.7
147.11696	18.9
149.09663	4.9
149.13243	6.7
151.07539	2.8
151.11180	5.2
155.08577	4.4
156.09389	2.1
157.10127	13.1
159.11700	18.9
161.09628	3.7
161.13260	14.7
163.14835	8.1
164.22330	2.5
165.09126	2.5
169.10129	7.0
171.07916	2.1
171.11664	10.4
172.12056	2.2
173.09621	3.9
173.13240	10.8
175.11186	3.3
175.14894	5.0
177.09024	4.0
181.10287	2.1
183.11684	7.7
185.09660	4.7
185.13245	6.5
187.14804	24.5
189.09113	2.3
189.12694	2.8
189.16371	30.6
191.10722	2.8
191.17957	100.0
192.18340	2.1
192.46907	2.1
193.08566	2.7
195.11693	3.6
196.69977	2.0
197.13263	7.5
199.11249	2.4
199.14844	6.9
201.12772	2.4
201.16429	5.1
203.10628	3.1
203.14323	2.2
203.17876	2.8
205.15953	12.6
207.17574	2.4
209.13246	2.5
211.14806	4.5
215.14372	3.3
217.12209	4.2
225.12799	2.9
229.12340	2.6
229.19426	3.6
231.13811	2.9
239.17909	3.7
243.13832	4.7
253.19565	2.9
255.17528	2.8
257.19052	3.9
259.16968	2.8
271.20544	3.9
273.18350	4.6
275.20007	5.4
281.19022	3.4
287.20041	3.8
289.21622	2.6
297.18454	5.4
299.19943	29.2
309.24249	2.5
315.19604	11.4
317.21094	68.0
333.20541	13.2
350.46402	2.3
450.28760	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	450.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.05501	8.5
57.07063	2.4
59.05014	10.6
62.13065	2.0
65.03932	3.8
67.05515	25.5
69.07060	10.4
69.87086	4.8
69.87498	11.3
71.04993	4.0
75.71809	2.1
79.05488	15.6
81.07051	28.5
83.04981	6.2
83.08633	6.8
85.06528	4.8
91.05480	20.5
91.59226	2.1
93.07040	23.7
95.04969	6.9
95.08600	45.9
97.06535	8.2
99.08116	2.7
105.07027	36.4
107.04948	6.2
107.08593	35.8
109.06552	4.3
109.10150	36.7
109.43919	2.3
111.04441	18.2
111.08112	6.1
113.09638	3.8
117.07004	10.6
119.08589	69.8
121.06515	5.3
121.10134	32.2
123.08064	6.3
123.11717	9.9
125.05996	3.1
129.07027	7.0
131.08586	17.4
133.06468	2.6
133.10132	41.0
135.08070	5.0
135.11678	14.8
137.09641	7.0
137.13194	2.9
139.07544	2.8
139.11156	3.1
141.07024	4.2
142.07811	4.7
143.08568	11.2
145.10110	30.8
147.08080	5.7
147.11696	32.4
149.09630	3.6
149.13237	4.4
151.11165	6.8
153.06969	2.3
153.09079	2.7
155.08595	6.9
156.09357	4.0
157.10129	24.2
159.08086	4.7
159.11687	33.4
161.09630	5.3
161.13229	18.7
163.11163	3.5
163.14832	7.1
165.09004	2.6
167.08589	2.8
169.10106	11.5
171.11743	16.5
173.09674	7.8
173.13248	16.4
175.11186	4.5
175.14818	10.2
177.12752	2.7
179.10614	3.9
181.10097	4.7
181.12207	2.7
182.10902	3.0
183.11720	11.3
184.12517	2.7
185.09654	3.4
185.13232	9.8
187.11227	9.2
187.14781	15.6
189.09077	2.5
189.16417	7.2
191.10680	6.0
195.11710	3.3
197.13277	18.3
199.11121	5.9
199.14804	16.0
201.12743	3.5
201.16393	6.4
202.17099	2.6
203.10744	5.1
205.12276	8.6
205.15898	5.4
207.13844	2.8
211.11168	4.3
211.14813	8.3
213.12640	3.0
213.16321	10.6
215.10796	4.0
215.14299	5.6
215.17970	10.4
217.12283	5.5
219.13795	4.6
225.12793	5.7
225.16301	2.9
227.18059	2.9
229.12242	9.0
229.15924	2.7
229.19518	4.9
231.13751	4.1
237.16458	3.5
238.17078	2.7
239.14311	5.9
239.17958	10.7
241.15869	4.9
243.13840	13.1
245.15298	2.9
253.19620	9.7
257.19077	14.2
259.17001	7.5
271.20639	7.9
273.18460	5.5
275.20071	30.2
278.18259	2.3
281.19034	8.4
289.21747	3.5
299.20059	68.7
317.21121	100.0
318.21439	3.6
450.28680	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	450.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	12.8
55.65385	3.8
59.04992	9.6
62.01056	3.3
67.05506	18.1
67.46962	3.0
68.42393	3.6
69.07055	8.0
71.57661	6.9
79.05472	6.8
81.07045	21.1
83.04972	14.1
83.08619	6.5
85.06536	4.9
86.57513	3.6
91.05485	17.6
93.07037	15.8
93.40957	3.3
95.08591	31.1
97.06501	5.8
105.07037	24.0
107.08597	29.7
109.06508	5.2
109.10149	27.3
111.04452	17.7
111.08083	3.8
117.06986	8.6
119.08580	45.5
121.06533	4.6
121.10149	25.3
123.08130	4.3
123.11664	6.3
129.06984	5.5
131.08578	10.4
133.10112	27.0
134.23244	3.1
135.08093	6.3
135.11725	8.7
137.09697	5.1
137.79706	3.3
139.07542	3.5
141.07001	5.3
141.46225	3.0
142.07762	4.6
143.08551	11.2
145.10110	29.9
147.11697	20.4
149.09613	3.2
151.07539	4.2
151.11115	3.3
155.08507	5.3
157.10083	16.5
159.11661	23.1
161.13258	10.5
169.10083	5.5
171.11694	16.6
173.13234	9.1
175.11209	5.1
175.14806	6.5
177.09186	3.7
179.10648	5.9
183.11684	10.8
185.13286	11.1
187.14839	6.1
191.10704	4.7
197.13307	16.4
199.14877	5.3
201.12860	4.5
201.16333	5.5
203.10521	4.4
205.12207	6.3
211.14789	6.5
213.12669	4.2
213.16328	5.1
215.14377	4.0
217.12279	4.6
219.13799	3.7
229.12180	4.4
229.19522	5.7
233.15393	5.0
239.14259	5.0
239.17949	11.5
243.13884	8.3
245.15121	3.7
253.19499	7.6
257.19067	8.4
258.19293	3.7
271.20462	8.3
273.18564	4.5
275.20117	22.4
281.19003	8.6
299.20038	59.1
317.21103	100.0
333.20401	3.8
373.83047	3.5
450.28119	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	450.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.7
59.04996	7.7
67.05508	29.6
69.07067	14.8
70.89210	27.4
73.79810	7.8
79.05494	28.9
80.37960	8.2
81.07052	32.0
83.04993	12.7
85.06493	8.1
91.05495	24.2
93.07047	37.4
95.08611	38.6
97.02912	8.5
97.06526	19.1
105.07011	38.2
107.08617	49.4
107.72116	11.2
109.10143	35.8
111.04413	19.8
117.06976	14.0
119.08552	45.5
121.10131	25.8
123.11750	12.5
133.10162	43.6
135.11678	15.6
143.08578	9.9
145.10118	27.7
147.11684	24.6
157.10115	13.5
159.11658	23.2
163.03934	13.1
171.11662	18.4
173.13246	10.3
183.11737	10.9
197.13213	13.2
199.14864	12.0
205.12357	11.6
205.15860	13.2
211.14937	13.0
211.75105	9.1
257.19131	13.5
259.09543	10.6
263.45651	11.1
275.20068	13.1
281.18903	10.8
299.20224	51.5
301.21625	10.3
306.15298	11.7
317.21091	100.0
328.64868	9.5
415.14908	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	450.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.3
57.07084	24.1
58.06597	3.7
58.07413	4.8
65.03946	4.5
67.05498	16.4
69.03410	4.4
69.07064	9.3
69.49924	34.1
70.06585	10.1
79.05510	6.6
81.03422	7.5
81.07066	21.0
83.04976	53.8
84.05314	16.8
84.08141	5.4
85.02901	10.0
87.42538	3.5
91.05464	15.5
93.07050	19.3
95.05016	4.7
95.08620	25.6
97.02866	9.7
97.06551	10.8
98.98478	7.7
99.04436	9.0
105.07016	12.0
107.04987	4.0
107.08578	20.7
109.10169	14.8
111.04431	12.1
117.01071	4.7
117.07040	4.5
119.08575	26.3
121.06430	5.0
121.10155	8.9
123.08052	4.9
123.11702	6.5
131.08578	7.0
133.10141	17.6
135.08060	7.1
135.11681	8.3
137.09665	8.7
139.07562	4.4
143.08589	4.9
145.10110	9.4
146.11754	6.8
147.11684	13.7
149.13251	6.0
151.01540	9.9
151.11194	7.9
157.10118	6.3
159.11711	10.5
161.09598	4.1
161.13264	9.2
163.11194	4.6
163.14819	14.6
171.11752	7.3
175.01549	12.3
183.11710	6.2
185.13313	4.6
187.14755	5.7
195.11824	4.2
197.13321	4.2
199.14793	5.9
201.12875	4.0
201.16345	6.1
229.12163	5.4
238.25604	4.6
239.17967	7.3
257.18930	8.4
259.09604	10.3
268.19983	4.1
275.20126	9.3
281.19037	6.7
296.22192	4.0
299.20078	33.3
300.28976	27.6
317.21097	90.4
337.02313	18.4
338.02661	38.2
344.31540	10.3
388.34106	9.4
393.08685	21.9
394.09006	83.0
395.09375	9.2
410.18729	5.0
450.15024	11.1
450.37906	100.0
451.16354	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	450.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01863	2.6
55.05495	2.0
57.03429	2.4
57.07055	1.3
58.35070	0.9
59.04985	2.6
61.02902	1.5
63.17655	0.9
67.05470	1.5
68.99760	1.2
69.03416	7.6
69.07061	6.4
69.59143	0.8
70.75522	2.1
70.75912	2.2
71.04990	13.3
73.02905	3.4
73.06528	2.9
79.05497	4.6
81.03423	8.5
81.07053	18.2
83.04972	1.0
85.02900	18.5
87.00835	7.4
91.05482	4.4
93.07039	19.7
95.04975	1.3
95.08577	4.5
97.02891	14.1
97.06518	3.7
99.04454	3.7
101.02342	4.3
105.01861	6.5
105.06996	2.8
105.16975	0.9
107.08582	16.6
108.08871	1.0
109.02884	7.6
109.10139	3.3
111.04406	1.2
113.09588	1.0
116.07005	0.9
118.82395	0.9
119.03411	19.7
119.04888	1.1
119.08521	2.0
120.78637	0.8
121.10121	8.5
123.11691	2.3
127.03905	21.1
129.01776	1.1
133.10088	1.1
135.11674	18.5
137.05945	1.5
145.04950	9.7
147.11702	1.1
148.04745	1.3
149.13248	23.2
153.12733	100.0
154.13077	2.3
157.10129	1.1
159.02852	4.3
163.03932	4.2
167.14319	5.1
185.13406	0.9
187.07510	1.2
201.16380	1.0
203.17967	0.9
213.03996	0.9
215.07101	1.1
231.05057	3.1
245.06616	1.9
257.15482	1.1
259.09625	5.9
263.07639	1.0
445.63208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01875	3.8
55.05502	11.2
57.03425	3.6
57.07061	7.0
59.04997	2.4
61.02925	6.1
67.05500	17.5
69.03436	17.5
69.06719	3.6
69.07071	46.1
69.53422	2.0
70.77241	5.5
70.77594	2.2
71.04988	8.1
73.02915	5.4
79.05495	19.8
81.03425	12.3
81.07054	52.0
83.08623	21.8
85.02907	52.4
85.03434	2.6
85.06541	17.1
87.00826	25.5
88.96634	2.2
91.05487	24.4
93.07044	100.0
95.04966	6.8
95.08607	37.4
97.02888	26.0
97.06515	23.5
97.10131	3.1
99.04464	11.3
105.01870	59.0
105.07013	10.7
106.65182	2.4
107.04936	3.3
107.08595	70.9
109.02873	13.6
109.10165	19.5
111.04427	2.9
111.08088	6.8
117.03406	3.4
119.03433	8.7
119.08582	5.0
121.10133	40.4
123.11718	31.9
124.49789	2.4
127.03915	56.8
133.10205	4.5
135.04440	3.6
135.11716	4.4
137.06026	4.1
137.13255	5.3
145.02902	2.6
145.04948	33.8
147.04396	2.6
149.13257	80.3
153.12761	8.5
159.02933	8.3
159.11691	2.9
163.03897	15.6
167.08556	4.9
167.14328	20.5
173.02339	5.1
215.07056	3.5
231.04962	17.8
249.06097	10.3
250.08403	2.2
259.09698	20.7
309.95435	2.2
401.80496	2.5
429.10580	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66937	1.9
51.19941	2.1
52.10472	2.3
53.03949	4.0
55.01880	4.3
56.96554	3.8
57.03434	17.9
58.37096	2.1
59.04989	4.5
60.04520	3.8
60.98296	1.9
61.02926	4.2
62.38571	2.1
62.82656	2.0
63.71594	2.3
69.03425	81.8
70.05569	9.8
70.06583	12.0
71.05007	3.1
72.08147	4.4
72.49915	2.6
73.02915	6.6
75.04478	5.5
79.05491	4.7
81.03423	8.9
83.04990	3.8
84.04518	2.9
84.08143	2.8
85.02900	88.9
86.09716	10.4
87.00803	3.7
87.04465	52.5
91.05476	14.4
93.07049	11.9
95.04951	3.0
97.02882	76.8
98.20831	2.8
99.04478	4.2
103.03944	3.9
104.05313	2.4
105.01870	4.8
105.07009	4.3
107.04977	8.9
107.08587	13.9
109.02882	7.6
111.04444	2.5
113.03503	2.6
115.03925	90.0
117.07052	7.9
118.08655	3.9
118.19747	2.4
121.06501	46.3
121.10165	10.2
127.03917	25.2
128.06210	2.8
131.08585	6.1
133.04956	100.0
133.06497	3.9
141.32091	2.7
145.04994	22.4
145.06500	37.9
147.04440	8.3
147.11719	3.0
149.09608	33.9
150.07654	19.3
159.08087	6.1
163.03963	6.7
163.06029	5.9
163.07565	19.7
167.10681	4.5
171.08125	2.6
175.07529	13.9
177.05432	5.3
181.08730	3.8
187.07529	15.2
190.03851	2.3
205.08630	12.2
217.08600	23.9
229.08630	3.7
235.09583	11.2
241.07095	2.9
247.09685	8.4
259.08234	7.0
265.10791	9.7
276.07071	4.5
277.09192	3.8
295.10056	5.5
450.11798	11.1
451.11221	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	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.6
55.01870	13.5
55.05502	3.9
57.03433	10.9
61.02919	6.5
65.03944	1.7
67.05489	4.8
68.99785	3.7
69.03430	39.3
69.07064	9.9
71.05003	18.6
71.58512	3.4
73.02920	15.9
79.05486	7.5
81.03417	27.4
81.07072	7.4
83.04976	3.7
85.02907	94.6
85.06519	1.7
86.09650	1.4
87.00833	39.8
87.04477	19.5
91.05470	3.5
93.07047	13.2
95.04913	1.8
95.08623	8.4
97.02892	43.3
97.06532	43.7
99.04448	19.3
105.01865	58.8
105.07043	5.2
107.08593	32.3
109.02135	2.3
109.02874	48.0
109.03590	3.1
109.06539	1.9
111.04459	3.8
113.06005	21.0
115.03925	15.1
117.01795	1.9
119.08609	2.3
121.06538	1.7
121.10144	17.9
123.08088	4.1
125.05977	5.7
125.09631	10.1
127.03920	83.9
129.01862	4.2
131.04996	1.4
131.08553	4.1
133.04935	2.2
135.04448	1.7
135.08064	2.0
137.05983	2.7
137.09561	1.9
139.11185	48.9
145.04964	19.3
147.02899	1.7
149.09637	15.7
153.01855	2.1
153.12709	2.8
159.02893	8.2
163.03932	4.3
165.09096	2.5
167.10678	100.0
173.02292	2.1
185.11728	33.5
189.03951	2.9
213.03900	9.5
215.07065	2.2
231.04990	27.0
235.09544	1.7
239.12953	1.9
247.12906	1.5
249.06097	3.9
254.25452	1.9
259.09738	6.0
275.12750	4.3
287.05551	4.2
288.05930	10.5
288.12332	3.8
293.13855	3.2
302.04083	2.0
303.04715	3.6
304.05267	2.1
317.06625	12.1
318.06921	36.8
342.95810	1.6
344.64355	1.6
356.12720	1.7
386.89172	1.9
397.14847	4.5
451.16061	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	450.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01863	2.9
55.05517	1.1
56.96570	1.3
57.03434	5.3
58.06600	1.2
60.04521	2.0
60.81981	1.1
61.02927	5.1
65.03938	2.2
69.03436	13.7
70.06585	2.9
71.04990	2.1
71.58739	1.5
73.02911	3.2
74.91148	1.0
76.07649	1.1
78.05570	1.4
81.03421	4.5
81.07064	1.6
85.02909	68.1
85.39159	1.2
87.04465	4.0
91.03950	2.9
91.05486	100.0
92.05814	1.3
93.07065	1.6
95.08611	1.6
97.02897	38.2
99.04452	3.3
103.03986	1.1
105.07015	2.5
109.02901	5.1
109.64519	1.0
111.04451	1.0
115.03907	6.4
116.98593	1.4
119.04970	1.9
121.06498	1.8
127.03936	16.0
129.06990	1.5
129.86151	1.1
131.01897	1.1
131.04900	1.1
133.05022	2.1
133.06480	3.4
133.10106	1.5
135.08009	1.1
137.05981	1.2
145.04976	31.6
145.06229	1.3
146.97252	1.0
147.04465	2.8
156.10225	2.9
157.06485	1.1
161.04451	3.0
161.05956	2.2
163.06018	13.0
163.07349	1.7
168.52322	1.1
177.05467	2.0
181.06984	1.1
181.08447	1.2
193.08630	1.6
217.08586	4.0
235.09619	2.9
237.02824	1.2
253.10818	3.3
325.11404	1.4
391.14615	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.4
56.35620	1.8
57.03442	27.1
57.07074	15.6
66.83312	2.1
67.05502	41.5
69.07066	23.0
70.72569	6.8
71.08634	11.1
79.05502	12.2
81.07060	46.8
83.04984	2.4
83.08625	17.3
85.10175	6.1
91.05479	8.3
91.21961	2.1
93.07057	17.4
95.04936	2.2
95.08603	46.8
97.06514	2.3
97.10181	7.0
98.98475	26.1
105.07067	5.2
106.07970	2.0
107.08602	7.1
109.10136	14.8
113.00015	99.5
119.08595	6.2
121.10131	6.1
123.11700	5.6
131.01004	2.9
133.10118	6.3
135.11700	4.2
137.00002	19.4
137.13235	4.7
147.11710	3.8
149.13216	2.6
155.01057	23.7
161.13278	2.7
169.02612	64.9
187.03662	6.0
193.02547	2.7
211.03638	5.1
245.22620	3.0
251.07390	1.9
263.23654	7.7
313.27350	17.6
337.27368	100.0
338.27551	2.5
391.48419	2.0
449.26563	31.2
449.32162	3.8
463.91965	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2534
Annotation	1'-O-Bacchabolivyl xylopyranoside
Peak:m/z	Relative Intensity
53.03941	3.9
55.01877	4.4
55.05501	19.4
55.38168	2.6
57.03431	3.1
57.07078	3.7
65.03942	6.1
67.05161	5.3
67.05503	58.7
67.05827	2.4
69.03430	10.1
69.07074	17.0
71.04978	4.4
71.56993	2.8
71.57381	3.7
72.22379	2.8
74.73555	2.7
79.05476	22.4
81.03407	7.7
81.07058	29.9
83.04983	17.4
83.08620	11.7
85.02886	7.8
85.06549	3.8
90.67519	3.4
91.05476	24.1
93.07053	28.5
95.04971	45.3
95.08605	33.9
97.06531	13.5
97.10197	5.1
98.98477	4.7
99.08114	3.7
105.07016	35.0
107.04958	3.6
107.08595	48.6
109.06562	14.1
109.10158	68.5
111.08092	7.5
114.10138	2.6
115.05486	3.6
117.03211	2.6
117.07056	8.4
119.08587	40.6
121.06503	12.9
121.10148	28.1
123.04429	3.4
123.08072	13.3
123.11695	9.9
125.09639	5.6
127.03996	3.8
129.07123	3.5
131.08549	11.9
133.10129	23.6
135.08047	100.0
135.11690	14.9
137.09575	6.5
139.07549	4.7
143.08542	8.3
143.77341	2.9
145.10136	22.5
147.08057	10.2
147.11638	16.2
149.05995	3.4
149.09631	7.2
149.13281	6.9
151.11217	8.7
153.09160	3.7
155.08531	3.9
156.09344	3.9
157.08954	3.1
157.10106	19.0
158.10852	3.4
159.08047	8.7
159.11688	25.9
160.08896	4.0
161.09651	21.6
161.13228	16.2
161.83748	2.7
163.11177	7.0
163.14865	6.4
165.09122	7.1
169.10184	5.3
170.10840	6.3
171.08081	3.4
171.11693	10.9
173.09616	14.8
173.13287	14.7
175.07587	5.1
175.11186	23.9
175.14812	12.0
177.12819	3.8
183.11714	12.2
185.13225	12.2
186.10342	6.8
187.11211	23.2
187.14821	9.8
189.12773	10.1
189.16376	7.0
190.83839	2.8
191.10638	4.4
191.14275	3.4
193.08617	4.5
197.13272	11.6
199.14809	4.7
201.09163	3.4
201.12788	17.7
201.16339	6.3
203.10612	4.1
203.14325	27.5
205.15881	4.7
211.14864	4.0
213.12862	4.4
215.10696	15.3
215.14330	11.8
217.15800	3.2
219.13708	6.9
221.15367	9.8
229.12244	56.8
229.15787	3.9
229.19608	7.0
237.16391	3.8
239.17892	15.7
243.21051	3.5
253.19493	8.2
257.19022	40.2
264.39297	3.0
271.20651	15.5
275.19849	3.0
277.21606	14.6
281.18991	9.9
299.20068	67.9
317.21225	5.0
351.25308	31.5
389.23312	11.6
403.24811	7.4
425.75259	2.9
426.93985	3.1
431.24213	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2534
Annotation	Ugaferin
Peak:m/z	Relative Intensity
53.03930	5.5
55.05259	6.3
55.05511	78.0
56.96547	6.4
57.03449	9.9
57.07050	9.0
66.88427	4.9
67.05502	56.4
69.07062	23.6
71.04977	11.4
71.08617	14.4
71.58312	8.3
79.05491	58.2
81.03413	15.0
81.07056	66.7
83.04990	76.6
83.08614	14.0
85.06516	8.2
91.05483	46.4
93.07046	66.5
95.04969	25.0
95.08612	60.9
97.06518	16.1
97.10168	9.1
98.98464	14.7
99.08093	12.5
99.15031	5.5
105.07033	48.6
107.08598	66.7
109.06532	11.8
109.10162	42.4
111.04459	12.9
111.08078	10.9
115.05379	5.8
116.67388	5.0
117.06997	16.4
119.04945	16.5
119.08581	100.0
121.06503	7.7
121.10149	62.0
123.04424	6.3
123.08070	17.4
123.11720	15.4
129.06967	8.6
131.08537	23.0
133.10138	58.0
134.22066	5.1
135.08040	14.9
135.11674	30.2
137.09610	18.0
141.05508	7.1
143.08543	11.1
145.10109	32.3
147.04416	61.4
147.08084	8.8
147.11713	31.3
149.09608	11.5
149.13219	11.6
151.07573	6.4
151.11165	23.1
155.08482	7.7
156.09320	5.7
157.10147	15.2
159.11676	25.6
161.09621	9.7
161.13260	23.9
163.03900	15.9
163.11205	8.4
163.14835	12.9
165.05493	15.7
167.08481	5.9
169.10091	7.1
171.11705	20.3
173.09586	10.7
173.13249	21.5
175.11174	10.8
175.14838	5.7
179.14296	14.7
183.11691	10.5
185.13243	12.6
187.11298	7.8
187.14845	16.2
187.93990	5.7
188.15465	5.1
201.16391	16.1
203.14261	12.6
211.14890	8.5
213.09044	6.1
213.12776	12.5
213.16342	9.4
215.17957	8.3
231.17412	9.0
249.18507	64.8
251.20137	5.7
267.19644	10.9
277.21576	35.1
285.18542	13.9
287.05524	9.2
295.16949	6.9
299.20230	12.2
303.19531	6.5
313.17975	24.0
317.21088	11.2
331.18936	32.5
349.19867	7.2
351.25266	58.9
449.24933	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01868	1.7
55.05507	17.0
57.03453	7.1
57.07067	1.5
64.92229	1.1
65.03928	1.4
67.05171	2.4
67.05506	32.2
69.03417	2.1
69.07061	10.0
70.71742	3.7
71.04986	3.0
71.08633	31.3
79.05492	28.4
81.03408	5.1
81.07055	39.1
83.04981	18.4
83.08607	6.2
85.02956	1.3
85.06535	2.5
91.05478	20.8
93.07043	37.9
95.04967	8.2
95.08611	26.8
97.06538	7.3
97.10172	3.8
98.98467	16.2
99.08092	21.4
105.07029	19.1
107.04957	4.3
107.08598	25.0
109.06521	4.1
109.10158	14.1
111.04379	1.6
111.08083	3.4
113.09660	2.3
117.07011	4.2
119.08582	21.7
121.06502	2.4
121.10133	22.0
121.59475	1.1
123.08083	3.0
123.11692	4.0
125.09612	2.9
129.07027	2.8
131.08630	6.2
133.10135	13.9
135.08034	4.2
135.11694	20.2
137.09651	4.7
141.09099	1.8
143.08545	4.0
145.10103	7.8
147.08096	1.9
147.11673	7.7
149.09671	1.6
149.13243	6.8
151.10323	1.1
151.11217	11.9
153.12755	1.7
155.01108	3.5
155.08492	1.3
157.10109	3.6
159.11653	7.7
161.13271	11.0
163.03947	1.4
163.11159	7.3
163.14822	3.2
165.12796	1.6
171.11754	3.3
173.02136	2.5
173.13191	3.6
175.11240	1.6
175.14809	3.1
177.12730	4.1
179.14314	60.4
181.12254	1.4
183.11743	2.1
185.13281	2.9
187.14796	2.1
189.12704	2.3
189.16394	1.3
195.13774	1.9
197.13388	1.5
199.14825	1.3
201.12668	1.9
201.16412	1.7
203.14262	2.7
221.15443	1.8
235.17003	2.3
241.19496	2.2
259.20618	4.2
267.17654	1.7
271.16809	1.5
277.21609	43.6
295.23093	1.6
299.20120	2.6
303.64087	1.4
313.17764	2.3
317.21106	5.0
331.19043	3.4
333.14368	1.5
351.25293	100.0
352.25681	2.0
431.21909	1.8
449.27145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.3
51.02377	1.3
53.03951	4.2
55.01875	0.4
55.05508	0.6
57.32821	0.3
59.21581	0.3
65.13845	0.3
67.05517	0.6
68.55613	0.2
69.69529	0.3
71.61858	0.4
77.03930	0.9
79.05483	1.0
81.03432	0.5
81.07071	0.4
83.04982	0.6
91.05497	1.9
93.07032	0.4
93.60814	0.3
95.04975	10.3
95.08597	0.4
103.05476	0.8
105.03397	100.0
105.07038	1.3
106.03726	1.0
107.04964	3.9
107.08576	0.4
108.05736	0.8
109.06531	0.5
115.05431	0.4
117.07022	0.6
119.04932	0.4
119.08590	0.8
121.06529	0.7
123.08131	0.4
128.06226	1.4
129.06998	3.9
131.04933	0.9
131.08568	1.4
133.06525	0.5
133.10074	0.4
135.04413	1.5
135.08101	0.6
136.05219	2.6
136.72327	0.3
137.05974	3.3
139.07571	0.4
139.33713	0.3
140.41704	0.3
145.10101	0.4
150.06772	2.5
151.07555	17.3
153.09198	0.3
157.06503	3.5
158.07156	0.4
159.08090	0.5
160.05247	0.4
161.06007	1.7
161.09648	1.8
163.07541	2.0
165.05617	0.7
165.06963	0.7
165.09126	11.7
172.08813	0.3
174.06784	2.3
175.07541	1.8
177.09103	0.7
179.08598	0.7
181.06519	1.1
181.10107	0.3
183.08072	0.5
188.08304	0.4
189.09116	14.9
192.05756	0.4
192.09381	0.3
193.06546	0.4
195.08058	1.5
196.08830	0.5
202.07664	0.3
203.10703	1.1
206.19066	0.3
207.08130	1.2
208.08881	0.7
209.06143	0.4
209.09653	0.8
211.07507	0.7
213.09230	0.3
219.08104	0.4
220.08815	0.5
221.06046	0.7
221.09621	1.2
223.07559	0.7
224.08350	1.1
225.09137	0.9
235.07553	1.9
235.11217	1.2
236.08376	1.2
236.11865	1.7
237.05562	0.4
237.09149	1.3
238.09932	0.8
239.10718	2.1
241.08606	0.9
245.09544	0.4
249.09058	0.6
251.07121	0.4
252.07863	0.6
252.11482	0.5
253.08623	1.2
263.10681	0.8
264.11447	1.0
265.08707	0.4
267.10223	1.6
267.13824	5.0
269.08075	0.9
269.11737	0.3
280.11136	0.3
281.11780	2.6
283.09665	0.8
284.10480	1.2
286.12125	0.9
287.05548	0.8
288.70053	0.3
293.36591	0.3
294.32227	0.3
295.13312	3.7
296.14127	0.3
298.11905	0.3
299.12802	7.5
311.12793	0.6
312.13449	0.4
327.15952	8.0
343.58545	0.3
358.66626	0.4
408.67590	0.3
449.19678	2.3
449.30334	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1422
Annotation	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
64.16106	1.2
69.75688	8.6
86.09730	1.5
87.11076	1.4
98.21511	1.6
118.08669	15.8
122.20771	1.4
137.56357	1.5
142.42291	1.2
147.04420	2.4
153.76221	1.5
156.04251	2.1
182.39658	1.4
214.06863	1.4
219.86539	1.6
235.85831	1.3
268.42072	1.5
385.36395	1.6
434.69019	1.4
449.14249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1427
Annotation	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
56.96564	8.8
69.03413	2.2
70.06593	1.5
70.07982	1.2
71.58306	1.3
71.58691	1.8
74.97602	3.8
75.05589	1.1
78.39400	1.2
81.07041	1.6
84.04465	1.6
84.08146	1.3
84.95996	1.8
85.02899	3.3
86.09703	2.0
91.05481	1.2
95.04942	1.3
97.02882	2.8
98.97579	7.9
110.97586	1.8
116.98639	7.6
119.04900	1.2
127.03886	3.0
128.98570	4.2
134.99667	5.2
146.99628	3.8
147.04410	2.6
158.99673	2.4
160.54333	1.1
161.01118	2.4
170.99678	3.4
173.04863	1.6
177.00732	6.2
178.05650	1.1
179.02281	1.3
189.00714	3.9
191.05916	1.3
201.00685	2.7
215.05865	3.0
219.01767	8.0
224.21988	1.2
227.05959	1.3
237.02820	22.8
249.02838	1.7
254.78224	1.2
255.03888	1.8
291.03857	2.0
317.09131	19.0
321.15750	1.1
325.12796	1.1
335.10248	5.2
449.13837	100.0
450.13803	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76698	0.3
55.01905	0.5
56.96584	0.4
57.03441	0.7
61.02911	0.3
69.03442	3.1
70.06616	0.5
71.60390	0.7
72.08154	0.8
81.03421	1.4
84.04520	1.8
85.02913	4.3
86.09710	2.7
87.04478	0.6
88.53318	0.4
91.05473	0.9
93.07027	0.5
95.08610	0.4
97.02889	2.3
98.97598	1.0
99.04458	0.7
103.03972	0.4
108.91671	0.3
109.02886	0.9
114.05452	0.4
115.03925	1.3
116.04313	0.3
116.98642	0.8
119.04933	0.6
121.06509	2.1
126.05532	1.5
127.03925	2.8
130.14114	0.4
133.04979	0.6
134.99707	0.6
145.02876	0.6
147.04401	1.9
149.01233	0.5
158.99759	0.5
168.06502	0.5
169.04898	0.5
177.00668	0.7
177.05455	0.8
203.12000	0.5
217.08551	0.5
219.01703	0.7
219.13303	0.5
236.06250	4.2
236.56273	0.6
237.02672	0.8
245.06332	10.8
246.09798	0.8
256.57547	0.5
287.05649	1.1
304.07770	0.4
449.12671	100.0
450.12933	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.05509	1.1
57.03437	8.7
61.02917	1.3
67.05482	0.7
69.03419	1.1
69.07034	0.6
71.04976	1.6
71.56963	1.4
73.02914	9.4
75.04478	28.8
81.03415	1.1
81.07053	2.3
83.04977	1.0
85.02904	5.6
91.05462	1.1
92.03628	0.6
93.03435	0.9
95.04985	0.9
95.08611	1.1
97.02904	1.3
105.07004	1.1
107.08585	0.6
120.08100	0.6
121.02864	1.4
121.10162	1.1
123.04485	0.7
127.03892	1.7
129.05476	0.7
131.08653	0.8
133.10104	0.7
135.04443	1.7
137.02333	3.1
139.03880	0.9
145.02858	1.6
145.10185	0.8
153.01820	6.8
157.10132	0.8
159.11697	0.7
161.05974	0.7
163.03903	8.9
165.01851	1.8
167.06963	0.9
169.10123	0.7
171.11671	0.7
201.05481	1.7
229.04993	5.0
246.05324	1.0
257.04425	3.5
273.03793	0.6
274.04672	2.4
285.03970	2.9
287.05453	4.6
302.04114	5.2
303.04990	100.0
304.05353	3.1
317.06552	44.3
318.06955	1.6
319.08026	1.3
449.14404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01860	0.6
57.03415	0.8
61.02924	1.7
64.12606	0.2
68.99783	0.3
69.03082	0.2
69.03426	3.1
69.40314	0.2
69.54328	0.7
69.54748	0.9
70.06561	0.2
71.04989	0.4
72.64741	0.2
72.79764	0.2
73.02892	0.6
79.05480	0.3
81.03421	1.8
83.01305	0.2
85.02906	10.0
87.04454	0.4
90.84900	0.2
91.03944	0.6
91.21865	0.2
93.07010	0.2
95.04977	0.4
97.02887	3.1
99.04450	0.6
105.03392	0.3
107.04934	0.5
109.02897	1.2
109.03482	0.2
110.97572	0.2
111.00807	0.4
111.04478	0.3
120.08109	0.2
121.02858	2.8
127.03903	1.5
131.04843	0.4
133.02879	0.4
137.02335	0.6
145.04938	1.8
147.04410	1.0
153.01836	3.8
157.06499	0.4
165.01822	1.8
171.04437	0.3
183.02901	0.9
185.06009	0.5
189.05536	0.2
200.01416	0.2
213.05464	1.3
217.04875	0.2
230.58313	0.2
231.06464	0.7
231.80800	0.2
241.04968	0.7
257.04456	0.4
258.05261	1.2
259.06100	0.4
268.72586	0.2
287.05499	100.0
288.05792	2.1
299.05377	0.6
329.06555	0.6
407.06793	0.3
433.76508	0.3
441.69632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.19678	0.3
53.03960	0.4
53.84570	0.4
57.03407	0.5
61.02929	5.9
68.99796	0.6
69.03430	1.6
69.07066	0.4
69.27364	4.2
71.01358	0.3
73.02908	1.3
79.05474	0.5
81.03397	0.6
81.07044	1.3
85.02910	6.2
86.09715	0.4
91.03954	3.4
95.08600	1.4
95.44962	0.3
97.02892	2.6
105.03419	0.4
109.02866	0.7
111.00758	0.8
121.02840	2.6
127.03905	1.1
137.02330	0.8
137.13242	0.4
145.04956	1.2
147.04434	0.6
153.01831	4.3
163.03909	0.3
165.01878	2.4
171.04506	0.5
181.12202	0.4
183.02890	1.2
213.05496	1.4
231.06461	1.0
241.04887	0.5
258.05273	1.3
287.05511	100.0
288.05847	3.3
332.11014	0.9
449.17831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01868	0.6
56.92906	0.3
57.03429	1.0
61.02920	1.5
68.99788	0.5
69.03437	2.7
71.04982	0.5
71.20751	0.5
73.02907	0.4
79.05508	0.4
81.03410	1.4
83.01290	0.3
85.02904	8.8
91.03951	0.6
97.02888	3.4
99.04483	0.3
106.67297	0.3
107.04863	0.5
109.02869	1.0
111.00767	0.9
121.02138	0.3
121.02866	2.4
127.03967	1.9
133.02876	0.7
137.02309	1.0
145.04977	1.6
147.04366	0.7
153.01837	4.4
157.06438	0.5
165.01837	1.3
171.04427	0.3
172.08920	0.3
183.02899	0.5
183.67676	0.3
185.05902	0.5
203.07114	0.3
213.05417	1.6
221.99681	0.3
231.06535	0.8
241.04955	1.1
249.35587	0.4
258.05203	1.5
287.05490	100.0
288.05798	2.7
292.00986	0.3
321.04742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01876	1.2
55.05512	37.5
64.01534	1.2
65.03926	1.2
67.05494	3.5
69.03421	2.0
69.07040	1.2
70.49164	4.2
71.04992	1.0
79.05486	5.2
81.07062	5.4
83.04980	100.0
84.05310	1.2
91.05492	8.8
93.07036	6.6
95.04949	2.7
95.08598	4.0
97.02881	6.1
101.05997	1.3
105.07027	10.9
107.04934	1.4
107.08594	28.2
109.06517	4.4
109.10134	2.7
111.04439	1.5
111.08058	1.8
113.06013	1.2
119.08587	21.9
121.06464	1.9
121.10136	3.4
123.08041	3.0
125.09592	1.7
131.08536	1.7
133.06458	1.1
133.10118	16.5
135.08057	1.4
135.11629	1.6
137.05910	1.3
137.09618	3.2
143.08580	3.0
145.10121	3.1
147.08015	9.7
147.11629	1.0
151.07458	1.3
151.11189	1.4
157.10017	2.1
158.12915	1.1
159.11714	1.7
161.09586	8.8
163.07591	1.6
163.11186	2.2
165.09081	9.6
171.11758	1.0
179.10687	8.1
189.09128	7.7
207.10170	15.5
225.11214	28.1
257.18945	1.2
268.09506	1.2
285.18503	1.5
287.05307	1.2
295.16916	1.8
303.19519	2.9
313.17996	2.5
331.19003	11.4
349.20114	4.5
370.50601	1.1
431.24200	5.3
448.27390	1.4
448.33698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.05510	38.9
67.05504	1.0
69.07030	0.5
74.77844	0.4
81.07065	0.8
83.04979	100.0
84.05316	1.1
90.09933	0.4
91.05499	0.6
92.44174	0.4
92.44754	0.4
93.07063	0.7
95.08626	0.8
97.02917	0.4
105.07022	0.7
107.08624	1.1
109.10168	0.9
114.05508	0.6
119.08577	1.0
122.37813	0.4
133.10149	0.8
134.98135	0.4
136.06227	1.3
147.11769	0.5
149.09671	0.5
150.80888	0.4
156.03598	0.5
157.10162	0.5
169.10228	0.4
171.11659	0.5
185.09305	1.0
197.13301	0.5
214.69754	0.4
227.14246	0.5
232.85190	0.4
285.18378	0.4
286.14133	1.0
295.16864	0.7
313.18008	1.9
331.19040	6.3
331.22690	0.6
349.20227	0.4
358.16403	3.6
358.66843	0.8
413.23080	2.0
431.24481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.05510	38.9
67.05504	1.0
69.07030	0.5
74.77844	0.4
81.07065	0.8
83.04979	100.0
84.05316	1.1
90.09933	0.4
91.05499	0.6
92.44174	0.4
92.44754	0.4
93.07063	0.7
95.08626	0.8
97.02917	0.4
105.07022	0.7
107.08624	1.1
109.10168	0.9
114.05508	0.6
119.08577	1.0
122.37813	0.4
133.10149	0.8
134.98135	0.4
136.06227	1.3
147.11769	0.5
149.09671	0.5
150.80888	0.4
156.03598	0.5
157.10162	0.5
169.10228	0.4
171.11659	0.5
185.09305	1.0
197.13301	0.5
214.69754	0.4
227.14246	0.5
232.85190	0.4
285.18378	0.4
286.14133	1.0
295.16864	0.7
313.18008	1.9
331.19040	6.3
331.22690	0.6
349.20227	0.4
358.16403	3.6
358.66843	0.8
413.23080	2.0
431.24481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
55.01868	9.4
55.02087	1.7
55.05519	2.1
55.78490	1.6
56.96561	5.0
57.03437	7.2
59.06114	1.9
60.04524	3.1
61.02916	6.1
62.11673	1.7
66.09349	1.8
68.99805	1.7
69.03433	37.7
69.07080	2.3
69.71379	12.9
70.06593	8.8
71.04999	4.8
72.08141	6.0
73.02920	8.2
77.67375	1.6
81.03419	30.4
81.07050	2.5
83.01344	2.6
83.04953	3.2
84.04506	3.2
84.08151	2.4
85.02909	100.0
85.06533	2.2
86.03268	1.5
86.09700	15.4
87.00836	33.5
87.04463	2.2
87.10056	1.7
89.03936	2.0
91.03962	3.2
91.05480	5.0
93.07063	2.8
93.50131	1.7
95.04963	7.4
95.08589	2.4
97.02895	37.7
98.97543	2.4
99.04465	18.5
105.01868	47.5
105.07027	5.5
106.52081	1.8
107.04966	1.8
108.04465	3.7
109.02870	32.9
110.63636	1.9
110.77312	1.6
111.04481	3.2
117.01827	3.7
118.81306	1.9
120.08086	2.5
121.06493	2.2
121.10143	1.9
126.05511	3.1
127.03916	73.0
129.01839	6.0
131.04890	2.0
133.06483	8.3
137.05972	17.6
145.02846	5.0
145.04962	27.2
147.02876	3.2
147.04431	6.6
147.08017	5.1
151.07582	8.6
154.08675	5.3
157.06459	2.4
159.02911	17.6
161.06088	3.1
161.09564	2.3
163.03949	3.0
163.07520	5.0
165.09111	6.5
175.07607	4.1
177.05496	9.4
179.15028	2.0
183.10161	10.3
189.03880	2.4
189.09128	4.8
198.03693	2.2
203.07124	2.1
207.10150	16.4
213.04044	2.7
225.11250	14.0
231.05003	19.1
249.06058	4.1
249.11221	8.1
269.03284	3.7
273.11191	15.4
287.05078	7.8
291.12234	20.8
377.12061	3.0
395.13367	3.7
425.07761	2.5
430.27570	2.8
448.17828	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	447.2504
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
53.03934	1.1
53.12631	0.6
55.01633	0.9
55.01878	10.1
55.05511	28.8
57.03437	34.3
57.07074	8.5
59.12658	0.5
67.05502	8.5
69.07069	28.1
71.08627	5.9
73.02898	1.0
79.05492	5.6
81.07059	10.6
83.04974	2.0
83.08619	21.8
85.10168	1.9
90.91461	0.5
91.05479	2.2
93.07050	6.5
93.78547	0.5
95.08607	8.6
97.06529	2.2
97.10170	15.6
98.21614	0.9
98.98466	49.0
103.11049	0.6
105.07050	0.9
107.08613	4.4
109.10159	2.9
111.08066	1.3
111.11716	3.0
113.00012	2.7
116.99523	2.9
117.06985	0.7
119.08568	1.0
121.10143	5.9
123.11700	1.5
129.05447	1.1
131.08607	0.7
132.05299	0.6
133.10121	1.4
135.08017	1.0
135.11710	4.8
136.99989	48.9
137.13278	0.8
139.11162	0.6
140.01088	0.9
142.05798	0.6
149.13220	1.3
155.01038	43.2
160.22102	0.5
163.14812	0.8
169.02571	0.9
172.95236	0.6
178.02649	2.4
193.02614	7.9
196.03831	0.7
211.03665	6.7
219.21109	1.1
237.22112	9.4
237.92879	0.6
239.73610	0.6
265.04755	0.8
265.49750	0.6
293.24683	1.6
311.25806	39.5
312.26080	1.7
325.92700	0.8
335.25812	2.4
363.45261	0.6
447.25058	100.0
448.25540	3.5
450.43646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
53.40111	1.4
55.01857	4.6
55.05511	18.0
55.24640	1.7
57.03186	2.0
57.03439	22.5
57.07062	6.0
65.03944	1.6
66.00092	1.7
67.05506	38.7
69.07068	19.5
70.18772	7.7
71.08631	3.2
75.15013	1.3
79.05486	20.3
81.07057	40.8
83.08619	17.8
91.05458	11.7
93.07040	26.9
95.08607	31.2
97.10176	8.0
98.98466	22.9
105.07048	7.9
107.08587	16.3
109.10157	10.6
111.11739	3.2
113.00023	100.0
113.78544	1.6
117.07005	3.7
119.08572	7.8
121.10145	14.7
123.11693	5.4
125.09604	2.2
128.53745	1.8
131.08569	6.5
133.10110	7.0
135.11722	9.7
136.99989	24.0
137.13277	2.1
145.10107	5.1
147.11690	4.5
149.02370	1.9
149.13243	6.0
155.01067	17.5
159.11723	4.2
161.13280	4.0
163.14874	3.4
169.01228	3.2
169.02629	55.5
173.13261	5.0
175.14714	2.3
187.03720	8.3
187.14767	2.3
193.02643	4.2
201.16478	1.6
211.03633	4.5
237.22133	6.2
243.21213	8.5
261.22144	25.4
271.06024	2.5
294.35080	1.6
311.25803	18.7
317.24692	7.2
335.25812	70.6
336.26212	2.4
429.23792	4.2
447.25070	41.3
447.33566	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01866	2.5
55.05304	1.4
55.05517	14.7
56.48109	1.5
56.96583	2.5
57.03440	13.3
57.07066	3.9
63.62733	1.3
65.03928	1.6
67.05503	53.0
69.03430	2.1
69.07066	10.0
71.04968	3.2
71.08623	2.3
71.60159	1.3
73.02951	1.5
79.05056	2.4
79.05492	32.1
79.05948	1.9
81.03419	5.0
81.06574	3.3
81.07056	52.8
83.04979	7.4
83.08607	7.4
85.02917	2.1
85.06539	2.7
91.05469	17.6
93.07041	37.6
95.04951	10.4
95.08609	38.3
97.06536	3.8
97.10143	5.2
98.88456	1.7
99.08097	2.1
104.04240	1.9
105.07030	16.4
107.04974	3.3
107.08595	23.6
109.06490	2.1
109.10149	15.7
111.04426	1.5
113.00017	50.9
113.09605	2.2
113.69517	1.6
115.05457	1.9
117.07004	5.5
119.04860	1.7
119.08584	15.9
121.02815	1.7
121.06487	3.1
121.10121	19.5
123.08077	2.5
123.11714	6.4
125.09632	2.8
129.06972	3.3
131.08563	15.1
133.06491	3.5
133.10130	11.2
135.07982	1.7
135.11681	10.8
137.13248	2.9
143.08572	3.5
145.06490	3.5
145.10146	7.9
147.08070	2.0
147.11707	7.4
149.02367	2.9
149.09612	2.7
149.13300	8.5
149.14308	1.8
149.15916	1.4
157.10175	1.8
159.11755	8.5
159.12866	1.8
161.09589	2.3
161.13268	5.6
163.03857	3.1
163.11182	3.2
163.14833	6.7
169.02620	19.3
171.11792	2.0
173.13248	6.2
175.14844	2.2
177.16385	2.7
179.70161	1.5
183.11720	3.0
185.13309	2.1
187.03688	7.7
187.11240	1.7
187.14804	4.2
191.03406	1.8
193.12164	1.6
213.07570	1.8
219.60976	1.4
233.22629	2.6
243.21095	16.0
257.18777	1.8
261.22186	20.1
265.02591	1.5
275.15924	1.5
285.18497	2.4
293.20987	1.4
300.20889	2.5
303.05042	1.5
317.24686	8.0
333.05560	2.1
335.25784	100.0
336.26166	3.9
337.21536	2.0
349.17026	1.5
355.22617	4.0
429.26666	7.1
447.27646	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	447.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01867	1.4
55.05515	16.4
57.03437	9.5
57.07072	2.5
65.03953	1.2
67.05508	42.5
69.03433	1.6
69.07081	6.8
69.57907	8.7
79.05495	27.0
81.03424	5.8
81.07059	43.7
83.04984	10.4
83.08611	5.4
91.05473	15.7
93.07044	30.0
95.04967	6.7
95.08608	35.1
95.09230	1.8
97.02922	1.3
97.06509	4.7
97.10159	3.9
99.08114	1.7
103.03960	1.4
105.07030	12.9
107.04949	1.5
107.08605	20.9
107.09314	2.4
109.06508	1.4
109.10162	13.2
113.00020	48.5
117.07022	6.4
119.08575	10.7
121.06471	2.0
121.10144	14.8
123.08085	2.8
123.11735	5.9
125.09618	1.9
129.05489	1.5
131.08545	9.7
133.10124	8.0
135.08049	2.7
135.11702	8.8
137.13278	2.7
143.00117	1.2
145.10155	7.7
147.11694	5.0
149.09619	1.4
149.13292	6.9
157.10129	2.2
159.11705	6.0
161.13313	3.4
163.11217	1.4
163.14789	5.4
169.02612	19.7
171.11729	2.0
173.13254	7.1
175.14830	2.4
177.16383	2.3
183.11679	1.4
185.13185	2.2
187.03716	5.6
187.14792	3.7
193.12285	1.4
197.13286	1.3
203.14227	1.1
243.21056	12.5
261.22131	15.3
279.23172	2.0
317.24765	3.9
318.25027	1.4
335.25806	100.0
336.26266	2.7
377.82227	1.2
393.18372	3.4
429.25394	1.6
430.59918	1.2
447.27444	10.3
465.70844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04252	1.1
52.14976	1.0
53.03939	1.9
55.01867	1.5
55.05514	8.9
57.03436	10.8
57.07061	1.7
64.59398	1.1
66.93761	1.0
67.05505	37.5
69.07077	7.8
69.82936	5.8
76.87767	1.0
78.20489	1.1
79.05491	19.0
81.06580	2.2
81.07058	43.1
82.68309	1.0
82.91721	1.0
83.05006	1.8
83.08618	4.3
85.06550	1.1
91.05481	11.8
93.07046	26.4
95.04952	1.8
95.08610	33.1
97.06547	1.7
97.10175	2.0
98.21396	2.1
105.07042	9.4
107.08601	13.9
109.10152	15.0
112.86399	1.0
113.00016	64.7
117.07012	2.9
119.08606	8.0
121.10159	10.5
123.11711	6.6
131.00992	1.1
131.08545	5.5
133.10146	6.4
133.23325	1.1
135.11682	9.0
137.13307	2.4
145.10120	3.6
147.11728	5.3
149.13258	3.5
151.14818	1.1
159.11711	3.6
161.13254	3.1
163.14853	3.2
169.02620	18.1
173.13254	2.8
175.14912	1.4
175.67503	1.3
177.16272	1.1
187.03696	9.2
187.14832	2.9
223.16962	1.3
234.38605	1.0
243.21143	6.8
261.22192	17.3
279.23105	2.0
317.24664	7.2
335.25803	100.0
336.26123	4.8
359.78934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91877	1.2
53.03957	1.4
55.01871	4.0
55.05509	20.0
57.03188	1.6
57.03439	18.4
57.07060	5.1
65.01858	1.4
65.03918	1.9
67.05501	39.5
69.07063	15.8
70.51511	4.5
71.08622	3.0
79.05495	22.6
80.05843	1.5
81.07061	41.6
83.08623	11.1
85.06519	1.6
89.64545	1.4
91.05470	12.4
93.07042	29.4
95.04964	4.1
95.08612	32.7
96.67662	1.2
97.06520	2.8
97.10148	5.4
98.98473	12.9
105.07013	8.4
107.08599	18.5
108.87753	1.2
109.06522	1.5
109.10156	15.1
111.08037	1.8
111.11739	2.3
113.00014	100.0
117.07047	2.3
119.08572	9.3
121.10159	15.5
123.11697	7.4
131.01160	1.5
131.08594	7.7
133.10115	8.5
135.11668	12.2
136.99995	12.3
137.13263	3.3
142.26775	1.4
145.10150	7.1
147.11682	5.7
149.02367	1.7
149.13249	6.1
155.01050	13.9
159.11705	5.7
161.13303	3.2
163.14816	5.6
169.02614	48.2
173.13280	5.0
175.14883	2.7
177.16368	2.2
187.03719	9.3
187.14853	3.5
193.02644	1.6
237.22050	3.3
243.21104	10.3
261.22153	25.5
271.05930	2.2
296.81235	1.8
311.25790	13.2
317.24673	7.3
335.25775	85.9
429.24237	1.8
445.66946	1.4
447.25089	30.7
447.31470	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.6
57.03440	7.7
57.07078	2.3
67.05506	34.6
69.07066	8.2
70.79639	3.7
79.05486	19.2
81.07058	37.6
83.08595	3.0
91.05474	7.0
93.07039	20.9
95.04955	1.6
95.08607	27.9
97.06515	1.6
97.10136	1.7
98.56477	1.4
105.07016	6.3
107.08585	14.6
108.52107	1.2
109.10163	12.0
113.00014	64.6
117.07030	1.8
119.08566	7.5
121.10162	11.7
123.11717	6.2
131.08582	7.3
133.10110	4.7
135.11690	6.5
137.13251	2.2
145.10124	4.4
147.11702	3.1
149.13257	6.3
151.14833	1.2
159.11723	3.2
161.13182	2.2
163.14828	4.0
169.02605	18.0
173.13269	4.4
175.14822	2.0
187.03639	7.6
187.14777	2.3
196.44984	1.4
243.21053	6.9
261.22165	15.3
269.61444	1.4
289.45615	1.3
317.24738	4.7
335.25793	100.0
336.26077	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	447.2378
Annotation	Atranone B
Peak:m/z	Relative Intensity
53.03943	1.1
55.01874	0.7
55.05515	3.7
57.07068	1.5
65.03925	0.8
67.05504	4.7
69.03445	2.5
69.07076	3.1
71.05007	0.7
71.57291	0.5
79.05497	7.4
81.03411	1.1
81.07058	8.1
83.04987	3.0
83.08622	1.3
85.02879	0.7
91.05476	10.8
93.07048	6.7
93.23503	0.5
95.04958	3.1
95.08600	5.4
96.09018	0.5
97.02918	1.4
97.06546	2.6
97.10150	0.8
99.04479	0.6
101.06014	0.7
103.05450	0.9
105.07032	10.0
107.04934	2.5
107.08595	15.3
109.02895	0.6
109.06496	4.9
109.10155	4.0
111.04418	1.5
111.08071	1.9
115.05455	4.0
117.07009	6.1
119.04977	0.8
119.06068	0.5
119.08589	6.3
121.06491	7.1
121.10139	5.3
123.08073	4.3
123.11692	1.1
125.09634	0.8
128.06200	1.0
129.05539	0.5
129.06992	1.4
131.08546	4.0
133.06517	1.7
133.10138	6.9
135.08055	100.0
135.11662	1.6
136.08417	2.2
137.05998	2.2
137.09619	4.7
141.07016	0.6
142.07762	1.8
143.08530	2.8
144.09262	0.6
145.10129	5.0
147.08043	2.6
147.11708	2.7
149.02422	0.8
149.05998	1.6
149.09659	3.0
149.13266	1.1
151.07529	1.4
153.07042	0.8
155.08563	2.0
156.09358	1.4
157.10136	5.8
159.08081	2.6
159.11678	4.1
160.08836	0.7
161.09624	5.8
161.13300	1.5
163.07520	0.7
163.11180	1.8
165.06960	0.6
165.09094	0.9
167.07207	0.6
168.09346	0.9
169.10123	2.3
170.10954	0.8
171.08032	1.1
171.11676	4.7
173.09662	3.6
173.13298	3.2
174.10411	0.9
175.07550	0.9
175.11220	6.5
175.14851	1.7
177.05472	0.6
177.09113	1.4
177.12756	1.5
179.08557	1.0
179.10805	0.8
181.10123	0.7
182.10899	0.7
183.08098	1.0
183.11697	2.8
185.09598	4.2
185.13268	2.5
187.11224	2.9
187.14828	0.8
188.11964	0.6
189.09137	1.0
189.12744	1.3
194.10892	0.8
195.11740	1.5
197.09647	1.8
197.13332	1.2
199.11215	3.9
199.14809	1.3
201.09149	2.3
201.12778	2.1
203.10677	1.7
203.14305	5.3
205.12222	0.9
209.13304	1.3
211.11186	1.9
211.14761	1.3
212.12149	0.7
213.09142	1.5
213.12744	1.6
213.16394	1.1
215.10707	4.5
217.12332	1.2
225.09047	1.0
225.12787	1.3
225.16295	0.8
227.10651	0.7
229.08577	1.6
229.12300	1.1
231.13994	0.7
237.12723	1.3
237.16266	0.7
238.13547	0.7
239.14139	0.8
241.12276	0.7
241.15916	2.5
243.10188	1.6
243.13905	0.8
243.17308	0.6
245.11707	0.8
253.12299	1.1
253.15900	4.3
255.14049	0.6
255.17476	1.6
267.17438	6.1
269.15543	0.7
269.19174	1.1
271.13834	1.1
271.16953	4.6
277.15851	0.7
283.16931	2.0
285.18512	2.3
295.16937	5.1
297.18573	2.5
301.18048	1.4
311.16299	1.4
313.17999	8.6
315.19547	11.2
329.17551	8.3
331.19104	4.3
347.18607	0.8
355.22839	0.9
419.24542	1.6
429.26639	0.8
447.27368	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2227
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03931	8.4
55.01864	7.2
55.05515	16.1
57.03439	32.2
59.04993	1.9
61.02928	53.3
62.37522	1.9
65.03936	2.3
67.05502	30.4
69.03082	2.4
69.03432	31.5
69.07052	8.8
70.06587	2.2
70.23067	1.9
71.01341	4.8
71.04997	9.1
73.02926	26.3
79.05506	28.6
81.03419	86.6
81.07055	36.0
83.01353	2.4
83.04983	23.4
83.08615	25.1
85.02905	84.6
85.06542	3.7
86.09711	2.1
87.04468	2.5
88.67416	1.8
91.03959	31.0
91.05475	51.0
93.07057	26.4
95.04965	32.8
95.08620	16.3
97.02894	51.3
97.06535	6.7
97.10168	2.2
99.04462	10.4
99.08098	2.5
101.02387	11.6
103.03955	6.5
103.05427	2.5
105.07043	33.7
107.04961	10.8
107.08591	11.1
109.02897	15.4
109.06496	5.8
109.10160	2.2
111.04437	8.0
111.08077	17.6
113.05935	2.3
115.03932	5.2
115.05458	2.1
117.05443	2.9
117.07006	3.8
119.04945	2.5
119.08591	21.6
121.06492	3.9
121.10153	10.9
123.04436	2.3
123.08049	5.6
123.11681	3.1
125.09691	2.5
127.03922	29.3
129.05495	5.1
129.06981	16.1
131.08566	13.1
133.10139	24.5
135.08121	2.2
135.11665	4.2
137.05951	2.7
137.09619	4.5
142.07794	4.5
145.04939	6.8
145.10097	4.1
147.08043	5.8
147.11687	26.5
149.06125	2.5
149.09622	8.7
157.10135	20.6
163.11150	2.7
165.12723	2.3
167.07079	4.8
175.11189	25.7
177.05513	3.2
183.06483	6.3
193.12247	83.9
201.07584	4.4
211.13289	100.0
229.60730	2.2
235.13239	2.9
249.14879	3.0
267.15909	21.6
285.16971	95.8
309.16928	2.4
393.19067	3.2
411.20084	4.3
429.20993	7.7
447.16379	3.1
447.22327	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	447.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.2
55.01865	12.5
55.05514	18.9
56.05030	4.3
56.96571	8.7
57.03443	28.0
57.07080	6.2
59.05002	8.4
59.25664	3.7
61.02919	16.0
67.05508	32.9
69.03439	68.3
69.07076	21.8
70.06600	7.2
70.85748	10.1
70.86059	4.7
71.04990	18.2
72.08137	6.7
73.02918	14.4
75.04491	7.8
79.05489	33.3
81.03428	16.8
81.07058	100.0
83.04985	52.6
83.08611	8.1
85.02906	69.0
85.06564	16.5
86.09722	19.1
87.04463	28.2
90.52384	4.3
91.03962	10.7
91.05435	28.9
93.07048	48.1
95.04977	24.8
95.08609	67.4
96.98888	4.2
97.02892	49.8
97.06535	27.3
98.97615	5.5
99.04507	4.4
99.08096	8.2
103.03947	10.1
105.07040	42.2
107.04946	7.1
107.08622	36.5
109.02883	6.1
109.06528	25.6
109.10180	22.7
111.04449	15.9
111.08080	6.2
113.06006	8.7
113.40031	4.2
115.03945	23.4
115.07608	5.6
116.98572	5.7
117.07006	10.3
118.17162	4.3
119.08603	23.2
120.88190	4.8
121.06529	14.3
121.10161	21.1
122.06024	5.4
123.04422	8.9
123.08070	10.8
123.11716	11.9
125.05988	6.5
127.03924	14.4
127.07606	5.9
129.05504	11.8
129.06993	8.6
131.08557	11.9
133.04982	18.0
133.06522	10.7
133.10161	18.6
135.08070	18.9
135.11703	24.5
137.05997	14.4
137.09656	14.3
137.13257	33.5
141.09132	6.9
143.08629	7.9
145.10107	9.8
147.04399	6.8
147.06572	7.4
147.08032	9.6
147.11679	18.0
149.02333	5.8
149.06079	4.8
149.09616	11.6
149.13257	9.8
151.07556	16.9
151.11179	27.6
153.09171	7.8
153.12779	5.6
157.10094	5.5
159.11699	12.6
161.06076	5.0
161.09627	8.5
161.13303	11.2
163.07565	15.5
163.11185	13.2
165.09190	9.6
165.12706	20.6
167.07039	9.8
167.10751	6.3
169.10243	6.1
173.08121	42.5
173.09546	6.1
175.11197	7.0
175.29889	4.7
177.00856	6.6
177.05482	8.7
177.09116	5.8
177.12782	9.9
179.14232	8.7
179.95502	4.5
181.05048	7.0
181.08583	8.3
187.11179	7.2
189.00583	5.4
189.09062	4.2
189.12781	8.1
193.12343	6.9
195.13843	8.1
197.08260	4.5
199.09723	12.1
201.12543	5.1
207.13872	10.2
213.11223	10.4
219.13799	10.1
237.14882	7.6
241.10757	8.9
243.08812	8.9
246.57707	4.5
249.15010	6.5
261.14899	9.2
267.16269	5.4
267.25235	6.8
279.15970	15.5
285.16980	5.5
285.26263	6.0
297.16937	34.6
309.17010	21.7
315.17990	5.9
319.10757	5.4
393.19376	5.1
411.20331	8.4
429.21243	14.5
447.13525	5.0
447.31427	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	447.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.19495	1.2
57.03441	1.3
58.59799	1.3
67.05516	1.9
69.03431	6.0
69.07074	1.4
69.41584	10.8
73.02917	1.2
79.05472	1.3
81.03416	3.9
81.07062	2.4
85.02895	2.6
89.03940	3.6
91.05446	5.0
93.07071	1.6
95.05005	1.8
95.07743	1.1
95.08613	2.1
97.02917	10.3
100.11253	1.7
105.07039	1.9
107.08605	1.7
109.02816	1.3
109.10168	1.8
111.04491	1.6
117.03386	16.9
119.08553	1.8
125.09597	1.8
127.03883	1.6
133.10143	1.4
134.03662	1.7
135.04396	2.4
145.02855	45.3
149.02318	2.0
149.05954	5.7
151.23364	1.1
163.03928	3.8
177.05482	100.0
178.05833	1.4
186.05505	1.9
191.03351	3.3
195.06519	1.9
210.14650	1.5
215.14532	1.0
243.08682	1.3
257.04590	5.1
263.30249	1.1
303.04984	3.8
312.75278	1.2
321.09586	1.9
339.10825	13.5
349.23770	1.3
377.14673	2.5
422.22055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
57.03432	2.1
57.25044	1.0
60.04507	1.3
61.02918	2.4
69.03429	12.0
69.48905	8.0
71.04989	4.6
73.02917	3.5
76.65000	1.1
81.03418	14.0
83.01378	1.0
83.51789	1.1
85.02905	71.6
87.00839	1.2
95.04937	1.1
97.02278	1.9
97.02893	26.6
99.04454	39.1
103.03943	90.4
105.07023	2.9
109.02885	16.2
111.99369	1.0
127.03915	100.0
128.04262	1.6
145.04961	62.7
145.10110	1.4
146.05350	1.1
163.06018	64.6
163.11179	3.4
180.08818	3.7
181.08583	1.5
187.06056	6.4
197.08081	2.2
198.08490	3.3
205.07083	4.0
267.09161	0.9
271.08118	8.3
289.09247	8.7
307.10223	17.4
329.29300	1.0
331.66983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03217	1.6
56.05032	2.7
56.96549	2.3
57.03442	2.4
58.06598	4.1
58.06881	1.6
59.20560	1.8
60.04518	7.9
65.03945	2.0
67.05492	2.2
69.03439	13.4
69.07069	4.0
69.56458	11.1
69.56880	4.0
70.06590	7.8
72.08160	10.4
79.05498	3.3
81.03429	5.9
81.07025	2.6
82.06576	5.0
83.04992	9.9
84.04490	2.9
85.02899	17.1
85.06532	2.4
86.06071	2.3
86.09705	44.5
87.04455	3.3
87.05600	2.6
91.05393	12.3
91.05903	2.9
93.07063	2.4
95.04968	5.3
97.02888	10.1
98.21478	3.5
99.04491	2.6
100.82095	1.7
103.05468	34.9
105.07022	4.8
105.80782	1.7
106.06564	2.2
107.08559	2.2
108.67615	1.8
109.02852	4.1
111.04443	2.6
115.03921	3.8
117.07021	6.3
119.04926	2.4
119.08574	4.7
120.08071	2.1
121.06486	3.0
123.04377	2.1
127.03898	5.5
129.06992	2.1
129.85274	2.1
131.04929	100.0
133.05029	3.1
133.06058	4.3
134.09660	4.2
135.08092	2.9
137.06010	1.9
143.08545	2.7
145.04964	3.4
147.04416	8.7
147.08038	2.1
149.09604	2.4
150.09090	2.0
152.07066	2.5
158.08162	2.2
163.07545	55.4
165.09192	3.9
167.05591	3.5
173.12852	11.0
174.98975	1.8
176.05591	4.1
176.09200	8.6
177.05510	2.1
177.09068	2.8
179.03445	2.3
189.09200	3.9
201.12306	9.7
206.11824	4.3
207.10205	5.6
224.12854	9.3
225.11230	6.4
228.13350	2.1
246.14493	5.9
261.10049	3.1
266.13922	8.5
284.14944	37.5
360.02875	3.7
405.14767	2.1
446.10080	4.7
446.20572	20.1
447.09808	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	446.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.5
55.01876	12.9
55.05513	3.0
56.96578	1.3
57.03432	6.7
60.04525	2.9
61.02931	6.1
67.05505	4.2
68.99783	4.1
69.03432	35.0
69.07086	2.9
71.01347	4.5
71.05000	8.2
71.59532	2.4
73.02922	16.0
74.06091	2.3
79.05498	5.8
81.03423	30.5
81.07079	6.8
83.04984	2.4
84.04504	2.8
85.02911	100.0
85.06548	19.5
86.06875	5.0
86.09711	2.6
87.00837	28.7
87.04456	1.8
91.03968	2.4
91.05409	3.2
93.07049	13.6
94.07378	3.9
95.01374	1.4
95.04979	2.8
95.08612	5.9
96.08934	2.6
97.02286	2.4
97.02900	36.6
97.06544	9.8
98.06879	1.3
98.97594	2.1
99.04465	15.4
101.02388	2.2
103.03971	3.1
103.05467	5.5
105.01871	30.3
105.07027	4.7
107.04938	3.8
107.08601	4.5
108.04499	7.0
108.08914	2.4
109.02885	32.9
109.03596	2.6
109.10146	2.2
110.88056	1.1
113.02391	2.7
117.01853	4.1
119.08591	2.9
120.08906	1.9
121.06513	13.5
121.10133	11.0
122.10484	5.7
125.02351	1.9
126.05545	3.7
127.03924	82.8
129.01842	4.2
131.03484	1.5
135.08107	1.6
137.09602	1.4
138.05527	2.2
140.04694	17.3
141.01816	2.8
144.06535	1.9
145.04974	52.3
147.02896	5.0
149.05968	13.8
149.13324	3.7
150.13608	2.9
153.05478	9.7
159.01685	2.3
159.02898	26.6
159.11687	3.0
160.12038	2.1
167.05630	1.2
177.04024	1.8
177.12776	4.4
178.13068	7.2
181.08601	97.8
189.03893	3.1
189.12407	1.3
195.13826	2.8
196.14191	3.4
197.11755	2.8
198.12083	2.4
205.08592	6.4
213.03920	4.3
223.09641	2.4
230.06573	2.2
231.05019	22.8
231.17616	1.3
247.09552	3.7
248.07738	8.6
249.05922	1.8
266.08502	2.2
267.29089	1.3
270.17871	2.7
271.09631	1.4
282.23969	1.5
289.10669	3.8
319.10464	2.4
320.10782	4.1
360.03271	2.0
391.81400	1.4
428.19223	1.7
446.15359	2.8
446.16586	1.8
446.21014	8.6
446.30661	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.2
55.05507	64.1
57.07082	50.6
60.65376	6.4
62.21563	6.7
64.45995	7.5
67.05491	18.4
69.07063	100.0
69.43705	7.4
70.76582	26.1
71.08627	19.9
71.12432	6.5
73.87424	6.4
79.05491	21.0
81.07059	73.5
83.08614	55.0
83.32043	7.6
85.10221	11.2
89.17678	7.1
91.05455	16.4
93.07030	46.4
95.04948	12.6
95.08590	61.5
95.11662	7.3
97.10176	38.2
103.22925	7.4
107.08584	35.8
109.10168	27.3
110.86041	7.4
111.08100	20.1
111.11752	10.7
112.44899	7.0
119.08529	9.2
121.06489	8.2
121.10134	16.7
123.11697	8.4
124.05225	11.3
124.68135	8.4
125.26643	7.6
135.11722	15.2
137.05998	14.4
137.09534	7.8
139.07535	93.6
147.11736	9.5
149.13283	17.3
151.07541	15.2
165.05530	11.9
165.09131	23.2
175.11240	7.9
193.08580	12.7
193.40477	8.5
203.10664	11.4
271.29218	7.4
289.28827	7.7
307.30087	18.8
427.35687	8.9
430.35144	11.0
445.36563	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
56.07761	1.0
57.03438	23.1
61.02922	7.3
65.03923	1.6
67.05497	1.9
69.03432	17.3
70.06599	3.2
70.90919	3.1
71.01354	2.0
71.05003	1.5
72.08157	4.5
73.02921	48.1
73.41196	1.0
73.86085	1.0
79.05502	1.4
80.93313	1.0
81.03431	3.4
81.07045	2.0
83.04913	0.9
84.08147	1.7
84.28247	1.1
84.41586	1.1
85.02905	33.2
86.09685	5.0
87.04470	2.7
90.46336	1.0
91.05840	2.1
92.05022	3.6
93.07029	2.9
95.04957	1.7
97.02891	16.8
99.04462	1.5
103.03954	1.3
106.06563	2.6
107.08615	3.4
109.02893	2.4
109.90459	1.1
115.03931	16.7
119.08643	1.5
120.04467	100.0
127.03909	6.8
130.04973	1.0
132.04449	11.9
133.05011	3.4
134.06017	14.8
135.11667	1.7
139.80035	1.1
144.04475	1.8
145.04936	5.4
149.02295	1.3
152.07071	66.2
162.05498	13.8
163.03926	5.0
164.04282	1.9
164.07056	1.1
167.05573	1.6
170.06088	2.3
180.06645	1.9
186.05521	2.9
194.08101	13.2
194.09662	1.2
197.11838	1.8
198.05504	22.9
198.12047	1.3
200.07068	2.3
216.06580	2.4
218.08223	1.8
228.06548	3.7
230.08110	5.0
234.81546	1.1
246.07628	3.2
248.09265	1.2
248.23778	2.1
260.09088	2.2
266.07150	1.2
266.24823	2.1
278.10248	29.6
282.09946	1.2
284.11447	2.5
284.68347	1.2
296.11331	5.3
314.12390	8.4
360.02802	1.5
410.14349	3.2
428.15649	2.2
428.29987	4.1
446.31064	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	445.3674
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.01865	2.9
55.02540	2.3
55.05513	34.9
57.07069	19.9
58.10107	2.7
62.38700	2.9
64.35268	2.4
65.07653	2.6
67.05509	12.0
69.06718	4.1
69.07066	48.5
69.24837	3.2
69.25150	32.6
71.04981	8.7
71.08620	9.0
77.78769	2.4
79.05489	18.8
81.07056	32.1
82.75749	2.7
83.08620	100.0
85.06556	4.4
85.10184	6.1
91.05485	11.0
92.57841	2.7
93.07040	23.9
95.08604	25.1
97.06547	17.8
97.10167	17.9
105.07029	28.4
107.08593	64.1
109.10141	11.0
116.93677	2.7
117.06994	6.1
119.08568	23.4
121.10152	20.9
123.11710	7.1
131.08580	14.7
133.10147	20.6
135.11705	9.3
137.13258	5.4
139.14828	3.5
143.08582	10.0
145.10135	22.0
147.11697	27.7
149.13251	9.4
157.10138	11.5
159.11697	21.6
161.13228	30.1
163.14731	2.8
169.10167	3.4
171.11693	6.3
173.13268	8.9
175.11099	3.4
175.14816	4.3
183.11887	3.6
185.13249	7.2
187.14825	6.1
191.14270	5.3
195.13809	3.0
197.13187	4.6
199.14775	6.1
201.16444	2.9
209.15329	20.0
211.14790	3.4
213.16455	6.7
229.19623	5.1
245.22572	13.2
253.19542	14.9
266.92139	2.6
271.20578	59.3
273.22314	3.0
289.21619	10.3
297.22150	3.2
299.23755	3.4
303.23380	2.7
314.49649	2.7
317.24799	2.8
325.25293	16.5
329.24658	4.0
340.00516	2.8
343.26224	9.0
409.34647	45.5
427.35748	43.1
445.36633	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	445.3673
Annotation	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
51.96431	11.3
55.05508	38.1
57.07070	34.7
67.05472	10.3
69.07058	60.2
69.60811	96.4
71.08627	33.6
76.67046	11.3
78.46594	9.9
81.07067	26.9
83.04985	23.3
83.08617	44.5
85.10193	14.5
87.55425	11.7
89.78082	12.2
90.39466	11.9
94.14470	11.3
95.08603	34.3
97.10159	30.8
99.56390	13.8
103.69957	10.8
107.08624	18.0
109.10154	21.5
111.11706	17.4
121.06489	13.6
125.13256	14.1
135.08038	19.0
136.36885	11.7
137.05962	19.2
139.07539	17.9
144.78966	14.5
145.10132	14.8
149.09622	24.3
163.07411	11.9
165.09108	100.0
167.07071	49.9
171.11745	15.6
174.10371	16.6
175.11049	12.0
177.09093	15.9
181.08685	11.6
185.13193	12.9
187.11029	14.9
202.09909	36.3
203.10689	11.3
205.12251	27.2
217.12335	21.3
231.13786	22.8
399.36139	22.8
427.35931	54.9
445.30090	23.9
445.36542	83.6
453.11404	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	445.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.10190	1.0
55.01870	2.0
55.05510	7.0
56.46745	0.9
57.03231	0.9
57.03439	9.5
57.07057	1.8
59.04987	1.5
67.05502	18.8
69.03418	1.9
69.07079	6.7
69.96202	6.4
70.22272	0.9
71.04990	1.6
79.05489	19.7
81.03392	2.1
81.07053	22.1
83.04971	3.8
83.08614	2.8
85.06528	2.3
91.05446	19.5
91.81528	1.0
93.06472	1.6
93.07039	25.7
93.07616	1.3
95.04948	2.6
95.08600	13.3
97.02879	2.1
97.06512	3.1
97.10134	1.4
99.08096	1.8
100.92335	1.1
103.03934	2.3
105.07023	24.0
107.08596	13.3
109.06496	1.8
109.10171	8.3
113.00010	59.1
114.07353	1.0
115.13783	0.9
117.07004	6.0
119.08579	25.4
121.10139	13.9
123.08056	1.1
123.11719	1.4
129.05472	4.0
129.06989	4.4
131.08574	12.8
133.06538	1.1
133.10123	21.3
135.08049	1.9
135.11673	10.5
137.09593	1.1
137.13266	1.2
139.02449	0.9
143.08572	5.4
145.10098	11.0
147.11685	20.0
149.09596	1.7
149.13264	6.7
155.07057	1.7
155.08612	1.0
157.10130	6.8
159.11673	9.6
161.09662	1.5
161.13231	17.9
163.03812	1.2
163.14801	4.1
165.09135	1.5
167.05618	1.7
169.02603	4.8
169.08685	1.0
171.11653	8.8
173.13278	10.2
175.11302	1.3
175.14832	13.8
177.12773	1.5
185.13272	7.4
187.03677	11.9
187.14780	2.6
189.12689	1.4
191.07095	0.9
193.08568	1.5
197.13205	1.1
199.14874	4.6
201.16457	1.4
213.16371	1.7
215.17940	3.2
217.19521	5.2
223.09682	2.2
231.21133	4.4
241.19489	33.7
243.21132	3.0
259.20560	30.4
275.19986	1.7
277.21729	1.8
315.23157	3.9
333.24219	100.0
334.24606	3.6
359.02896	2.0
394.39426	1.2
427.22217	2.5
445.25186	2.0
454.50540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01860	1.9
55.05507	0.7
57.03426	2.0
58.63824	0.6
60.12152	0.6
61.02924	0.8
67.05490	1.1
68.99802	1.0
69.03432	7.3
69.88239	0.6
70.19770	1.0
70.20185	2.2
71.04991	3.1
72.08160	1.4
73.02888	1.3
79.05487	0.8
81.03415	7.0
81.07065	0.9
84.04475	0.9
85.02905	17.2
86.09700	8.1
87.00825	5.9
91.03938	0.8
91.05463	2.4
93.07056	4.5
95.04958	2.8
95.08604	1.6
97.02889	5.5
98.21442	0.9
99.04452	3.1
99.10252	0.8
105.01871	4.5
105.07020	4.1
107.08593	16.1
109.02873	7.7
109.06523	1.4
109.10134	1.1
113.05979	2.4
115.03924	0.7
119.08532	1.2
121.06497	1.6
123.04427	18.6
123.11707	0.9
127.03912	14.5
127.46094	0.6
129.01784	0.8
131.08524	0.9
133.06439	0.9
133.10132	13.1
134.10406	0.6
134.12590	0.7
135.11693	17.6
137.05965	1.4
137.09616	1.2
139.03893	2.7
145.04938	3.0
146.07245	0.7
151.07561	7.7
151.11157	1.0
155.03398	2.0
159.02859	2.9
161.09622	8.9
163.03883	1.0
167.05542	0.9
179.07039	19.5
179.10663	29.1
197.08095	83.3
197.11726	100.0
197.72409	0.7
198.08417	0.9
198.12006	1.2
213.03934	0.7
228.13824	0.9
231.04945	3.2
233.14914	0.9
237.14307	1.1
239.09052	1.2
246.14835	4.8
261.14630	1.1
263.09177	0.8
273.03671	0.8
303.05084	1.0
351.37891	0.8
359.02844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01860	1.9
55.05507	0.7
57.03426	2.0
58.63824	0.6
60.12152	0.6
61.02924	0.8
67.05490	1.1
68.99802	1.0
69.03432	7.3
69.88239	0.6
70.19770	1.0
70.20185	2.2
71.04991	3.1
72.08160	1.4
73.02888	1.3
79.05487	0.8
81.03415	7.0
81.07065	0.9
84.04475	0.9
85.02905	17.2
86.09700	8.1
87.00825	5.9
91.03938	0.8
91.05463	2.4
93.07056	4.5
95.04958	2.8
95.08604	1.6
97.02889	5.5
98.21442	0.9
99.04452	3.1
99.10252	0.8
105.01871	4.5
105.07020	4.1
107.08593	16.1
109.02873	7.7
109.06523	1.4
109.10134	1.1
113.05979	2.4
115.03924	0.7
119.08532	1.2
121.06497	1.6
123.04427	18.6
123.11707	0.9
127.03912	14.5
127.46094	0.6
129.01784	0.8
131.08524	0.9
133.06439	0.9
133.10132	13.1
134.10406	0.6
134.12590	0.7
135.11693	17.6
137.05965	1.4
137.09616	1.2
139.03893	2.7
145.04938	3.0
146.07245	0.7
151.07561	7.7
151.11157	1.0
155.03398	2.0
159.02859	2.9
161.09622	8.9
163.03883	1.0
167.05542	0.9
179.07039	19.5
179.10663	29.1
197.08095	83.3
197.11726	100.0
197.72409	0.7
198.08417	0.9
198.12006	1.2
213.03934	0.7
228.13824	0.9
231.04945	3.2
233.14914	0.9
237.14307	1.1
239.09052	1.2
246.14835	4.8
261.14630	1.1
263.09177	0.8
273.03671	0.8
303.05084	1.0
351.37891	0.8
359.02844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01859	1.8
55.05494	1.0
56.45884	0.6
57.03424	2.1
58.68807	0.3
59.04974	0.5
61.02917	1.2
65.53069	0.4
67.05495	1.4
68.99777	1.3
69.03425	8.5
69.07061	0.9
70.06593	1.0
71.04983	3.2
71.56921	0.8
72.08134	1.8
73.02902	2.0
74.06071	0.6
79.05502	1.3
81.02979	0.7
81.03420	8.3
81.07054	1.4
83.04971	1.2
85.02901	19.6
86.09704	6.4
87.00834	6.8
87.04461	0.7
91.05430	3.9
93.07041	6.2
95.04963	3.4
97.02893	6.5
99.04455	3.5
103.05434	0.5
105.01863	5.1
105.07027	5.0
107.08594	16.0
109.02877	7.7
109.06506	2.1
109.10142	1.4
113.06020	4.1
117.01828	0.6
119.04964	0.9
119.08581	2.3
121.06538	2.4
123.04427	23.2
123.08080	0.5
126.23595	0.4
127.03915	14.4
129.01862	1.2
131.08611	0.6
133.06483	0.8
133.09105	0.7
133.10124	17.3
135.11688	18.5
136.11946	0.5
137.05981	1.1
137.09590	1.3
139.03888	3.0
145.04958	3.6
147.02878	0.7
147.04347	0.5
151.03958	1.1
151.07538	10.0
151.11151	1.3
155.03386	3.7
155.06987	0.5
157.13342	0.8
159.02878	2.6
161.09608	8.9
163.11174	0.8
167.05608	0.5
177.04019	0.4
179.07042	23.1
179.10660	30.9
186.15897	0.4
189.03931	0.6
197.08092	88.4
197.11723	100.0
198.08461	1.2
198.12126	0.9
203.07086	1.0
209.68169	0.5
213.03877	0.5
213.15950	0.7
215.13992	0.4
221.08185	0.8
231.04990	2.1
237.14296	0.7
238.16119	0.6
239.09229	0.8
246.14919	3.1
254.08110	1.2
261.14505	1.0
263.09116	0.8
287.09143	0.7
303.05099	0.7
305.10251	0.8
314.94073	0.5
322.86572	0.4
359.02908	0.9
445.13300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64003	0.5
53.00324	0.4
55.05492	0.7
55.71733	0.4
56.05025	0.6
57.03426	0.7
63.02372	1.1
67.05502	0.8
69.03419	1.3
69.07045	0.6
70.06577	2.7
71.04987	0.7
71.58041	0.9
72.08161	4.4
73.04741	1.7
79.05482	0.7
81.03409	1.4
81.07037	1.6
83.05010	0.7
84.04501	1.3
84.08136	1.7
85.02897	3.4
85.06496	0.4
86.09707	10.7
87.00832	0.5
89.03918	5.0
90.94833	0.5
91.05850	6.6
93.07035	1.0
95.01311	1.4
95.04967	0.9
97.02882	2.1
98.97568	0.6
102.05551	0.8
103.05441	0.5
105.03342	0.5
105.07012	1.5
106.04200	0.5
107.04929	0.6
107.08565	1.1
109.02887	1.0
109.06487	0.6
113.02370	0.7
113.45684	0.5
114.07371	0.8
116.98573	0.9
117.03370	14.4
119.04902	1.0
119.08575	0.5
120.08103	0.9
122.39578	0.6
127.03896	1.1
128.35773	0.4
131.03406	0.5
131.04945	1.1
132.95837	0.8
133.10135	1.5
134.03606	1.1
135.04384	1.6
141.01813	1.7
141.73085	0.5
145.02838	43.4
147.04407	4.3
147.45782	0.5
149.05963	6.2
150.96907	0.9
157.13361	0.7
163.03928	0.9
163.07552	0.9
163.11172	0.5
165.05504	0.7
167.05542	3.0
174.96843	0.9
177.05461	100.0
178.05811	1.9
179.06931	0.6
185.12810	0.8
185.16383	0.6
186.05515	1.5
197.08040	0.7
215.13921	0.6
225.04167	1.0
243.13420	0.8
251.08711	0.9
261.14560	0.7
265.05130	1.1
283.06293	1.9
301.07382	0.6
324.09537	0.6
325.07391	1.1
342.99847	0.8
343.08487	0.9
353.08752	2.3
359.02826	5.4
395.21576	0.6
445.16391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01856	4.4
55.05510	1.0
57.03442	4.9
61.02933	5.6
67.05516	1.6
68.99782	3.8
69.03429	14.7
69.07063	1.5
71.04994	7.8
73.02926	5.7
79.05492	2.1
81.03420	14.6
81.07061	5.9
82.96937	0.7
83.01338	0.9
83.04959	1.2
83.08636	1.5
85.02907	38.3
86.09715	5.5
87.00826	12.1
88.07631	0.8
91.03969	2.8
91.05402	1.4
91.05875	1.2
93.07033	2.9
95.04985	3.9
95.08602	4.9
97.02893	15.5
97.06490	1.1
98.21604	1.6
99.04455	7.3
103.03970	1.8
105.01870	8.2
105.07050	1.8
107.04951	1.1
107.08566	1.0
109.02201	1.5
109.02885	14.4
109.06530	1.6
109.10157	2.3
111.08100	0.9
111.54210	0.9
112.74015	0.8
113.06008	6.4
117.01845	3.5
119.08583	1.8
121.10139	1.3
123.04427	10.2
123.08068	1.8
127.03923	27.8
129.01854	3.6
131.04964	0.9
133.06487	1.6
133.10037	1.5
135.11693	2.1
137.05962	1.9
137.13252	3.3
139.03920	4.1
145.04964	11.7
145.10081	1.6
146.11801	0.8
147.02901	1.3
147.04419	7.8
147.08069	2.7
151.03932	5.7
151.07539	4.8
153.05444	1.1
155.03394	6.0
155.07085	1.0
157.06522	1.1
159.02893	10.9
161.05974	3.1
161.54506	0.9
163.03946	1.1
163.11182	3.5
165.05498	1.2
167.05557	1.1
169.21191	0.8
175.07545	5.6
175.14799	1.0
177.04028	1.3
177.05418	1.6
179.07057	15.5
180.07231	0.9
185.09619	0.9
189.05446	1.1
189.09068	0.9
191.07086	2.1
193.04985	2.3
197.08099	100.0
198.08414	1.7
199.07510	1.1
203.07021	6.1
209.08151	1.5
211.16957	1.9
215.06862	1.1
217.04985	2.4
217.08609	1.6
221.08092	17.9
225.04472	1.0
227.12796	1.5
231.04895	3.8
235.05998	3.1
235.09616	1.6
239.09154	20.5
241.08565	1.4
259.09680	2.3
263.09128	14.7
269.08087	1.4
283.15417	3.2
287.09109	8.3
305.10208	13.3
359.02609	1.4
390.26746	0.8
391.10126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01844	0.7
57.03427	0.8
61.02909	0.4
66.49586	0.3
67.05482	1.2
68.99789	1.3
69.03431	2.8
69.07096	0.3
69.30300	3.8
71.04993	2.9
71.44479	0.3
73.02908	0.6
79.05492	0.5
81.03424	2.9
81.07054	0.7
83.04980	0.4
85.02908	6.2
85.06541	0.4
87.00859	1.8
91.05461	0.8
93.07018	0.9
95.04948	1.6
95.08598	1.3
97.02896	2.5
98.20683	0.8
98.99792	0.4
99.04436	1.4
105.01868	1.9
105.07024	1.8
107.08597	0.8
109.02868	2.7
109.06508	1.5
109.10104	0.8
111.00834	0.5
111.04398	0.8
111.08066	0.7
113.06000	3.9
117.01823	0.5
119.08598	1.2
123.04425	27.5
123.08070	0.4
125.09548	0.4
127.03919	6.6
129.01822	0.5
131.04829	0.4
131.08586	0.5
133.06470	1.0
133.10028	0.7
135.08032	0.6
135.11679	0.4
137.05972	0.8
139.03905	3.7
145.04913	1.6
147.11595	0.4
151.03900	1.0
151.07542	12.0
155.03404	5.0
155.06998	0.9
159.02878	1.5
161.05966	1.1
169.10226	0.4
171.11696	0.4
172.27980	0.3
179.07028	26.6
197.08087	100.0
198.08502	1.8
221.08066	0.5
231.05019	0.7
239.09167	0.7
263.08997	0.5
269.29285	0.5
441.64691	0.4
445.26337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16088	0.3
53.03939	0.7
53.99661	0.3
55.01847	0.4
57.03415	0.6
64.83746	0.3
67.05494	0.9
68.99783	0.8
69.03429	2.2
69.07029	0.4
70.07037	1.1
71.04996	2.6
73.02869	0.4
77.07681	0.3
77.32889	0.3
79.05468	0.7
81.03410	2.9
81.07033	1.1
85.02896	5.1
85.06518	0.5
87.00824	1.5
91.05821	0.5
93.07014	0.8
95.04971	2.3
95.08600	0.7
97.02893	2.1
99.04436	1.4
105.01884	1.4
105.07008	1.2
109.02852	2.5
109.06494	1.3
109.10172	0.6
111.08066	0.5
113.06003	3.8
113.62431	0.3
117.01836	0.5
121.10105	0.4
123.04424	25.4
124.04679	0.4
127.03903	7.4
129.01787	0.5
133.06528	0.7
137.05992	0.5
139.03888	3.2
145.04913	1.5
149.79700	0.3
151.03899	0.9
151.07538	10.7
153.05428	0.4
155.03377	5.1
155.07011	0.4
159.02872	2.3
161.05981	0.4
161.13278	0.3
163.03920	0.6
165.58975	0.3
167.05672	0.4
167.06993	0.4
175.07570	0.3
179.07022	23.4
180.07272	0.5
197.08081	100.0
198.08371	1.4
214.31618	0.3
220.30565	0.3
225.04205	0.3
231.04877	0.8
398.06476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16375	1.0
53.03945	11.9
55.01868	3.5
55.05509	1.3
57.03446	6.0
61.02929	6.9
69.03429	53.1
70.06586	3.7
70.22777	4.6
70.79532	1.2
71.04986	4.7
72.08147	2.9
73.02922	5.3
73.06548	1.5
80.05019	1.1
81.03418	61.0
81.04520	2.0
83.01338	1.3
83.04958	1.5
84.04529	1.4
84.08105	1.2
85.02905	83.9
86.09714	4.7
87.04457	2.1
90.94584	1.0
91.05792	4.0
93.07047	2.8
95.04950	1.2
97.02893	31.8
99.04449	12.7
101.54199	1.3
103.03957	8.2
108.04472	6.7
109.02880	79.4
111.04465	2.1
115.03936	3.1
115.07565	2.1
123.04449	1.1
125.02342	1.6
126.05524	2.7
127.03918	86.3
129.10313	1.2
133.04944	3.1
135.11589	1.2
139.03882	3.5
145.04961	22.3
147.04503	1.1
151.03949	2.4
163.03940	2.7
165.05508	1.1
167.05554	2.2
169.04958	27.5
174.06906	1.3
187.06012	56.5
205.07083	100.0
211.05956	1.6
217.05037	1.6
229.07120	4.1
235.05984	2.3
247.08109	4.4
253.07269	1.9
270.08533	1.7
272.14459	1.1
289.09177	2.7
295.08206	4.1
313.09149	4.7
359.02808	3.6
373.11349	3.2
391.12500	5.4
409.13724	1.1
444.13422	2.1
444.24167	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.8
57.07073	0.7
67.05485	0.8
69.07073	5.7
69.07424	0.7
69.61522	2.3
69.61949	0.9
73.06566	1.7
77.40913	0.5
83.04990	0.7
83.20369	0.5
84.62663	0.5
85.45166	0.4
86.09708	100.0
87.10046	0.6
88.07645	0.5
95.08588	0.5
107.54827	0.5
112.07604	1.0
130.08626	0.7
149.00345	0.5
168.13776	0.8
186.14893	80.0
187.15233	1.2
214.14386	27.2
299.23300	0.9
314.19614	17.7
327.22604	0.8
399.28555	36.2
400.28812	1.2
427.28094	5.6
444.40186	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3882
Annotation	Epigermanidiol
Peak:m/z	Relative Intensity
53.03955	3.7
55.05494	8.3
57.07059	8.2
59.59954	3.1
66.43325	2.6
67.05505	21.7
69.07062	16.5
69.41530	26.5
73.02897	13.6
79.05473	11.2
81.07057	46.2
82.82561	2.9
83.08615	13.1
85.06522	3.5
87.01715	3.6
90.32234	3.0
91.05475	8.3
93.07040	25.0
95.08599	82.4
97.10191	4.8
105.07033	14.4
107.08598	49.9
109.10152	53.4
111.11680	4.1
119.08589	9.4
121.10149	35.6
123.11687	31.2
125.09609	4.8
131.08504	3.4
133.10124	18.7
135.11697	27.4
137.13261	26.9
145.10091	4.7
147.11647	9.7
149.13214	25.0
151.11200	18.8
151.14825	9.6
153.12726	6.6
158.28360	2.9
161.13245	6.6
163.14827	13.1
169.12253	7.1
173.13228	3.7
177.16393	5.9
187.14890	3.7
189.16348	4.7
191.17949	10.2
201.16466	5.8
203.17848	3.8
205.19507	25.2
217.19507	4.3
219.17537	3.0
231.21071	5.1
233.18819	4.4
339.30646	3.5
344.88559	3.3
369.35150	7.1
425.37866	25.7
443.33444	9.0
443.38852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50438	12.6
58.57423	13.1
59.06108	25.4
67.05496	22.4
69.03391	14.7
69.07052	32.0
70.53214	50.5
81.07050	48.5
82.14054	13.6
83.08591	18.7
85.06524	20.7
93.07012	30.1
94.05406	12.7
94.99940	11.9
95.08593	56.5
97.10138	15.1
105.07032	18.3
107.08591	40.4
109.10176	55.0
111.83643	14.7
119.08581	23.6
120.21059	12.0
121.10106	51.1
122.74297	13.9
123.11678	39.1
133.10097	17.1
135.11674	36.8
137.13257	30.3
149.13229	34.1
163.14832	18.7
175.03789	11.6
205.19499	32.8
280.13269	13.4
349.58182	13.0
415.19067	20.7
443.18631	100.0
443.33215	18.4
443.38763	36.3
444.19284	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	443.3521
Annotation	Topsentisterol B2
Peak:m/z	Relative Intensity
55.05509	9.5
57.07076	6.7
67.05499	7.1
69.07071	16.6
71.08622	5.8
71.32100	4.6
79.05483	6.5
81.07063	15.2
83.08606	10.6
85.10172	4.2
85.61319	1.9
90.07207	1.7
91.05494	5.2
93.07040	21.8
95.05007	3.4
95.08615	16.0
97.10175	6.6
100.70776	2.5
105.07045	7.1
107.08598	11.0
109.06543	3.7
109.10140	11.2
111.11737	3.9
119.08602	7.8
121.06487	10.2
121.10184	4.3
123.11719	5.8
129.07051	2.3
131.08591	6.9
133.10139	6.4
135.08104	3.7
135.11700	4.0
137.13237	3.1
144.10226	4.4
145.10124	10.5
147.11684	3.7
149.09589	4.7
149.13280	2.6
157.10097	2.6
159.08073	6.4
159.11697	5.0
161.09680	2.5
163.07501	2.4
165.09129	12.7
173.09732	5.8
173.13281	4.2
175.11293	2.3
183.11699	3.4
187.14845	2.1
201.12804	6.8
215.14417	2.5
219.13757	2.3
233.15349	2.6
239.18065	4.1
247.13367	3.8
247.17023	2.1
261.15112	3.7
261.18564	7.4
275.16360	11.4
285.18561	4.4
303.19684	2.8
317.24744	15.2
401.34412	2.7
407.33481	2.8
425.34006	12.5
443.35223	100.0
444.35529	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	443.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80899	1.9
53.03951	3.3
55.01862	4.3
55.05511	32.7
56.96562	1.8
57.03429	8.7
57.07075	2.6
59.04996	9.1
61.02924	6.7
66.07669	2.1
66.36851	1.8
67.05492	5.3
69.03085	2.5
69.03436	31.5
69.07073	2.9
70.06261	2.2
70.06590	13.2
71.04975	3.1
71.60384	2.8
73.02917	2.5
79.05504	8.6
81.03427	13.6
81.07063	15.2
83.04984	44.2
85.02908	70.0
85.06543	6.7
86.09721	4.3
87.04459	5.7
91.05482	14.4
93.07047	15.4
95.04957	18.1
95.08622	4.9
97.02896	24.2
97.06531	4.6
99.04474	5.5
101.06013	28.7
103.04014	2.2
105.07033	15.2
105.08160	2.1
107.04974	6.1
107.08598	17.0
109.02888	9.5
109.06535	11.1
109.10161	7.1
110.02404	1.9
111.04491	2.6
113.09615	3.2
115.03918	3.1
116.07049	2.2
117.07039	8.4
119.04965	4.7
119.08603	26.9
121.06509	7.0
121.10163	22.2
123.04476	2.2
123.08054	4.8
125.06001	5.7
127.03935	15.6
128.06223	3.9
129.07007	4.2
130.07787	3.4
131.04857	1.9
131.08586	8.9
132.95839	7.3
133.10132	14.5
134.82559	1.9
135.08017	9.7
135.11670	4.9
137.05981	4.5
137.09607	5.7
142.07832	2.1
143.08571	6.4
145.04953	12.7
145.06520	5.0
145.10129	16.4
147.04439	17.2
147.08087	29.6
149.09644	5.0
150.96860	2.6
151.07570	3.0
156.09296	2.9
157.10156	4.3
159.08087	10.1
159.11687	6.0
161.09639	14.4
161.13293	3.4
163.06084	1.8
163.07553	3.2
163.11197	100.0
165.09149	2.7
165.12770	2.3
169.10023	2.3
171.11711	2.5
172.98938	2.4
174.96916	3.9
175.11169	2.4
177.05498	3.2
177.09093	14.6
179.08412	2.8
179.10716	7.2
181.08658	3.4
181.12248	42.0
185.13254	6.3
187.11186	4.0
189.09251	4.5
201.52168	2.1
203.14330	9.0
205.12259	3.9
207.10190	19.8
215.14185	2.9
219.01125	7.8
221.02625	21.0
223.13383	4.4
227.14232	2.3
233.15440	4.9
245.15416	20.9
263.03772	3.2
263.13794	3.9
263.16464	57.7
281.04782	13.2
281.17477	37.9
299.05511	3.0
300.12524	3.2
323.05811	31.6
324.06061	3.1
335.05630	3.9
341.06912	5.0
364.08234	2.9
425.21518	6.7
443.09338	2.6
443.22961	50.9
444.23224	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.8
67.05499	4.2
69.03426	14.9
69.07069	4.7
70.06584	5.2
71.01996	3.0
71.59507	3.8
73.02902	3.4
79.05502	6.8
81.03394	3.4
81.07059	5.5
83.04943	2.9
85.02907	10.9
86.09710	11.6
91.05481	8.7
93.07044	8.8
95.04953	6.7
95.08612	5.5
97.02905	7.4
97.06569	4.1
104.79698	2.9
105.07014	15.3
107.08592	8.9
109.02893	7.4
109.06491	3.2
111.04475	5.1
117.06975	3.7
119.08572	10.7
121.06572	4.7
127.03952	6.2
127.54414	2.8
129.07043	6.2
131.04935	4.0
131.08609	5.8
133.06509	5.5
133.10139	3.2
135.08061	100.0
137.05963	5.0
143.08525	4.5
145.10179	3.5
147.04424	7.8
147.08049	7.6
147.11713	10.3
149.06082	3.6
156.09369	7.7
157.10144	3.9
159.11665	12.3
161.05936	2.9
161.09673	6.4
163.07578	5.3
169.10172	4.5
171.11716	8.2
172.08920	5.2
173.09595	12.4
175.07564	3.3
175.11227	11.5
187.11157	42.8
189.12846	4.0
193.04973	6.8
195.01102	16.7
199.11185	7.5
203.10687	9.7
209.06056	8.1
215.10690	32.6
217.12189	7.8
227.10666	6.4
233.11751	56.2
237.14394	3.5
245.11725	35.4
246.14807	7.3
246.65190	3.0
263.12787	36.6
267.15918	5.4
281.17447	4.2
343.55435	2.9
441.89499	3.5
443.17841	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	443.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
54.59798	0.4
55.01866	1.3
55.05501	0.7
57.03428	0.9
61.02920	0.7
64.43520	0.4
67.05508	5.3
68.99808	0.5
69.03434	4.2
69.07059	1.2
69.99017	0.9
69.99432	1.5
71.04999	2.7
73.02903	0.8
77.50347	0.4
79.05492	4.6
81.03423	4.9
81.07059	11.3
83.04980	3.8
83.08613	0.9
85.02908	10.9
85.06538	0.8
87.00826	4.2
91.05485	10.3
93.07044	11.2
95.04964	2.9
95.08605	4.3
95.80568	0.5
97.02888	2.3
97.06514	1.3
98.20848	0.6
98.44198	0.4
99.04462	1.7
99.05128	0.4
99.34280	0.4
105.01875	2.3
105.07037	7.5
107.04945	1.7
107.08604	8.5
108.84025	0.5
109.02892	4.0
109.06522	3.2
111.04471	0.4
113.06011	7.2
117.01860	0.7
117.07011	6.1
119.08600	3.8
121.06465	0.9
121.10159	2.5
127.03915	7.6
127.17092	0.4
131.08575	3.9
133.10132	11.4
135.08032	1.5
135.11705	4.3
136.99026	0.4
145.04921	2.1
145.10101	0.6
147.11687	10.8
149.09631	9.0
149.13261	47.3
150.13602	1.2
157.10101	0.7
159.02881	1.9
159.11693	11.6
165.12761	8.4
173.13284	0.7
177.12753	20.2
178.13168	0.5
179.14244	0.6
189.12735	0.4
195.13814	100.0
196.14203	1.9
199.10976	0.5
213.03889	0.4
219.13907	0.6
231.04997	1.4
285.14847	1.2
303.15802	0.8
407.16885	0.7
443.18655	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	443.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01868	2.7
55.05516	1.8
57.03444	1.3
61.02929	2.1
65.03914	1.2
67.05503	11.1
69.03427	7.8
69.07062	4.3
69.50340	3.6
69.50774	4.5
71.04981	1.2
72.63374	1.1
73.02927	1.9
79.05504	6.9
81.03416	9.1
81.07055	21.9
83.08615	1.6
85.02908	16.9
85.06550	9.3
87.00819	6.1
87.04515	1.0
91.05486	3.9
93.07036	12.3
95.04967	19.5
95.08601	5.1
97.02889	8.2
97.06540	2.9
98.21484	2.0
99.04456	4.0
103.03919	1.6
105.01875	4.1
105.07043	2.9
107.04951	23.3
107.08602	9.3
109.02888	8.1
109.06529	2.6
109.10163	2.1
109.99359	0.9
111.08073	1.2
113.06007	3.0
117.03310	0.9
117.06999	1.5
119.08615	3.8
121.06519	8.7
121.10143	5.3
123.08083	1.2
125.05995	3.7
125.09620	1.2
127.03922	12.0
131.08582	2.7
133.10135	4.2
135.08066	3.4
135.11707	3.5
140.42310	0.9
143.08495	1.0
145.04994	4.1
147.04402	1.6
147.11713	1.4
149.09627	1.2
149.13263	22.7
150.13678	1.0
151.98935	1.0
159.02895	3.1
159.11676	13.4
165.12790	2.2
167.07098	2.2
173.09525	0.9
177.12750	38.9
195.13808	100.0
196.14119	2.2
219.08060	1.0
231.05034	1.6
231.07996	1.0
247.07596	1.3
263.10693	2.0
263.16464	1.5
281.17529	1.2
291.10321	1.4
303.04712	2.0
323.18527	1.7
336.09894	1.2
351.12335	2.0
353.10449	1.1
368.12555	1.4
377.01553	1.3
383.14920	12.0
402.54257	1.5
425.91275	1.1
443.17490	1.8
443.22760	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.8
67.05499	4.2
69.03426	14.9
69.07069	4.7
70.06584	5.2
71.01996	3.0
71.59507	3.8
73.02902	3.4
79.05502	6.8
81.03394	3.4
81.07059	5.5
83.04943	2.9
85.02907	10.9
86.09710	11.6
91.05481	8.7
93.07044	8.8
95.04953	6.7
95.08612	5.5
97.02905	7.4
97.06569	4.1
104.79698	2.9
105.07014	15.3
107.08592	8.9
109.02893	7.4
109.06491	3.2
111.04475	5.1
117.06975	3.7
119.08572	10.7
121.06572	4.7
127.03952	6.2
127.54414	2.8
129.07043	6.2
131.04935	4.0
131.08609	5.8
133.06509	5.5
133.10139	3.2
135.08061	100.0
137.05963	5.0
143.08525	4.5
145.10179	3.5
147.04424	7.8
147.08049	7.6
147.11713	10.3
149.06082	3.6
156.09369	7.7
157.10144	3.9
159.11665	12.3
161.05936	2.9
161.09673	6.4
163.07578	5.3
169.10172	4.5
171.11716	8.2
172.08920	5.2
173.09595	12.4
175.07564	3.3
175.11227	11.5
187.11157	42.8
189.12846	4.0
193.04973	6.8
195.01102	16.7
199.11185	7.5
203.10687	9.7
209.06056	8.1
215.10690	32.6
217.12189	7.8
227.10666	6.4
233.11751	56.2
237.14394	3.5
245.11725	35.4
246.14807	7.3
246.65190	3.0
263.12787	36.6
267.15918	5.4
281.17447	4.2
343.55435	2.9
441.89499	3.5
443.17841	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	443.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
54.18924	0.6
55.01868	1.4
55.05507	0.9
57.03421	1.5
61.02919	1.1
67.05508	5.8
68.99795	0.6
69.03430	5.1
69.07085	0.8
70.08600	1.5
70.09016	1.8
71.05000	2.7
73.02934	1.0
79.05495	3.5
81.03415	5.2
81.07059	10.5
83.04989	4.0
85.02423	0.9
85.02910	11.3
85.06531	1.0
87.00809	3.4
88.10696	0.6
91.05490	8.4
93.07051	9.6
93.71588	0.5
95.04976	3.6
95.08602	3.6
97.02889	2.4
97.06519	1.4
99.04474	1.6
104.76633	0.6
105.01856	2.2
105.07044	7.1
107.04943	1.9
107.08601	9.1
109.02878	4.4
109.06534	2.9
113.06010	8.5
117.01835	0.6
117.07023	5.8
119.08575	4.0
121.06535	1.0
121.10154	2.2
123.08106	0.7
127.03928	7.4
129.01854	1.0
131.08571	4.1
133.09233	1.0
133.10146	12.3
135.08058	1.3
135.11697	4.5
145.05000	1.2
145.10025	0.6
147.08012	0.6
147.11691	10.0
149.09641	7.6
149.13264	46.7
159.02893	2.0
159.08075	0.6
159.11690	11.7
161.09543	0.6
165.12781	7.5
175.11166	0.7
177.12755	19.4
181.61940	0.5
187.11185	0.7
195.13818	100.0
196.14119	1.0
201.12758	0.8
205.12201	0.8
231.04991	1.1
269.39099	0.6
285.14893	0.9
303.15817	1.5
309.94772	0.6
392.27115	0.7
399.19391	0.8
407.16977	0.8
443.18393	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	443.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01865	0.7
55.05506	0.6
56.96542	0.5
67.05481	0.5
69.03438	1.0
69.07063	0.6
71.04980	0.7
79.05475	1.6
81.03411	2.0
81.07064	2.3
81.96848	0.5
82.03680	0.5
82.10523	0.4
84.08138	0.7
85.02893	0.8
86.09684	0.6
91.05462	1.4
91.63988	0.4
93.07021	1.2
95.04944	0.7
95.08582	1.3
96.52625	0.4
97.02892	1.6
98.21578	0.9
98.50372	0.5
105.07029	1.0
107.04935	1.9
107.08566	0.8
109.02887	3.9
109.10183	1.0
110.03161	1.2
115.05429	1.0
117.03399	0.9
119.04957	0.5
119.08572	1.1
121.10120	1.0
123.04430	0.5
125.05961	0.5
127.03896	0.6
128.06197	0.6
129.06950	0.6
130.07764	0.5
131.04895	0.8
131.08513	0.9
133.10069	0.4
135.11702	0.7
139.03990	0.4
141.06972	2.6
144.05698	0.6
145.02809	2.1
145.06509	0.7
145.10056	0.6
147.04456	0.6
147.11722	0.6
149.06036	0.6
151.07547	0.8
153.05453	0.7
156.05647	0.5
157.06500	2.5
158.07233	1.3
159.08058	1.2
159.11754	0.5
161.09627	0.4
163.03955	0.5
165.05481	0.5
165.09076	1.0
167.07030	4.8
168.05690	0.5
169.06479	1.5
170.07220	2.2
171.08060	0.6
174.03386	0.4
175.07535	1.0
177.05486	4.8
178.05812	0.7
179.07031	0.4
183.08025	0.6
186.06772	4.0
187.07512	1.8
189.06985	0.8
190.07826	0.5
191.08537	1.9
192.09305	0.7
195.08025	0.7
197.06026	0.6
200.08325	1.8
201.09081	3.7
202.07780	1.9
203.06929	0.5
203.08572	1.8
205.06639	0.8
205.08580	1.5
205.10211	0.6
206.07211	0.7
207.08018	0.9
208.05083	0.5
208.08885	0.6
211.07568	0.9
214.06227	0.7
215.08611	1.3
217.08514	1.0
217.10342	0.8
218.07304	2.3
219.08047	5.6
219.10074	0.7
220.08833	3.4
221.05951	0.6
221.09619	0.7
222.06860	0.9
223.07533	0.9
225.09004	0.4
229.08591	9.4
230.07300	1.4
231.08043	5.1
231.10170	1.3
232.08727	2.1
233.06032	1.6
233.09566	3.9
234.06741	0.9
234.10417	1.6
235.07559	1.2
235.11174	1.2
236.08127	0.7
237.09093	1.7
243.08107	0.7
244.08812	0.5
245.09683	2.5
246.06747	0.8
247.07516	9.0
247.09798	1.0
248.08315	7.8
249.09128	2.1
250.06244	1.3
251.06931	1.1
251.10654	0.6
253.08737	0.7
258.06757	1.9
259.07504	3.3
260.08386	1.8
261.09152	4.2
262.06473	0.7
262.09891	3.7
263.07056	2.0
263.10645	6.2
264.07773	1.8
265.08591	4.0
266.09360	0.6
267.06564	0.8
269.08038	0.7
273.09171	1.5
275.07004	4.4
276.07800	6.2
277.05441	0.9
277.08508	4.1
278.05652	1.4
278.09036	0.5
279.06628	1.1
279.10107	2.0
280.10800	0.9
282.08820	1.0
287.06979	0.7
289.05038	0.4
289.08487	1.2
290.09329	5.2
291.06656	1.0
291.10074	11.0
292.07272	3.7
292.10550	0.7
293.08093	8.3
293.11389	1.1
294.08746	1.4
295.06094	1.0
297.11142	0.7
303.06528	0.7
304.07266	1.2
305.04846	0.7
305.08090	3.3
305.11685	1.8
306.05420	0.5
306.08810	1.5
307.06201	1.0
307.09552	7.7
308.06961	0.9
308.10306	5.2
309.07910	0.7
309.11191	1.3
310.08392	1.0
315.08621	2.7
318.08789	1.1
319.09647	7.8
320.06665	1.0
320.10376	1.2
321.07565	5.1
321.11249	1.8
322.08337	2.1
322.12003	2.1
323.05762	0.8
323.09134	0.8
323.12726	7.8
324.13428	0.5
325.10687	1.2
326.11456	0.5
330.11133	2.2
333.11215	0.8
335.09091	2.8
336.09912	4.6
337.10654	6.4
338.07776	2.0
339.08398	0.7
339.12228	1.6
340.13022	0.7
350.11478	2.2
351.12259	15.1
352.12796	2.0
353.10156	10.5
355.14932	0.4
367.11859	0.6
368.12506	11.7
383.14856	100.0
384.15161	2.9
401.16052	0.6
425.10886	1.1
443.17337	1.7
443.23071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01281	1.4
60.96707	1.5
70.74979	3.3
79.05501	2.5
81.03426	5.6
83.04961	2.1
91.05483	4.2
93.07033	2.0
95.04938	1.6
103.05457	2.3
107.08602	2.1
109.02883	13.7
109.10197	1.9
110.03234	6.0
111.03355	2.7
111.37160	1.6
115.05462	1.7
119.08583	1.6
121.06538	2.0
123.04451	2.3
131.04933	6.2
132.05724	1.7
135.60219	1.5
137.05965	2.9
141.06915	1.6
144.05693	4.5
145.06499	3.1
147.04454	3.4
148.05226	6.4
155.04973	7.3
160.05243	3.0
161.05960	3.0
165.05576	1.8
165.09149	4.4
166.06273	5.2
172.05243	3.6
175.07576	4.1
181.07028	2.9
181.08615	34.7
183.04430	2.2
187.07574	6.7
190.06310	9.7
191.07024	4.8
191.08632	2.4
200.04689	3.0
203.08623	1.9
205.06685	3.0
205.08577	16.3
206.07443	1.7
206.09367	2.3
215.07031	21.0
218.07222	3.2
219.08130	4.2
221.09656	2.3
230.07352	1.6
231.08101	2.0
233.09599	2.3
234.06801	2.6
243.08090	1.8
245.06107	1.5
247.07599	2.8
248.08347	5.2
249.09193	4.6
250.09921	1.7
251.07027	2.3
258.06763	2.3
259.07620	4.9
260.08392	2.7
261.05386	2.4
261.09143	3.7
263.07144	2.9
263.10666	3.6
264.07806	2.3
265.08514	3.6
266.09186	1.8
271.07413	2.3
273.05801	1.6
273.08908	3.6
274.06439	3.0
275.07031	5.8
276.07892	7.7
277.08563	6.8
278.09354	2.9
281.08240	1.6
281.11502	1.6
287.07010	5.8
288.07947	3.4
289.08533	4.9
290.09341	3.7
291.06934	2.8
291.10156	16.4
292.07327	4.1
292.10605	2.1
293.08124	5.2
293.11609	3.1
294.08862	2.6
301.08551	3.5
302.09399	3.9
303.06601	4.6
303.10077	23.0
304.07300	3.1
304.10620	1.9
305.08051	6.5
305.11395	2.5
306.09003	1.8
306.12302	2.3
307.09735	7.2
308.10370	2.4
309.11276	6.3
316.10919	3.4
318.08923	3.6
319.09653	25.9
320.10468	5.3
321.11188	14.2
325.10608	1.6
333.11304	11.8
334.12009	52.9
335.09167	11.1
335.12872	4.2
337.10684	17.0
338.11066	1.6
339.12418	3.0
350.11530	8.8
351.12372	1.7
352.13058	35.0
365.13861	100.0
366.14029	3.2
383.14859	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	443.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.05495	0.5
71.58331	0.9
79.05476	2.0
81.03419	0.9
81.07055	0.5
83.08634	0.7
85.02910	0.9
86.09734	1.0
91.05463	1.6
93.07009	0.8
95.04983	0.6
95.08598	0.9
97.02847	0.6
107.04950	2.8
107.08575	0.6
109.02843	2.4
109.10164	0.9
110.03194	0.7
111.04454	0.8
111.38772	0.4
115.05482	1.4
119.08578	0.8
124.05219	0.5
127.03933	0.7
128.06201	0.7
129.06960	0.9
131.04962	0.5
135.08063	0.6
141.06982	2.6
143.04866	0.6
143.08513	0.6
145.02846	2.6
147.04393	0.8
149.05995	0.9
151.07622	0.5
153.05441	0.6
157.05336	0.5
157.06522	2.1
158.07239	1.1
159.08012	0.9
161.06006	1.0
165.06973	0.6
165.09126	1.4
167.07039	4.1
169.06487	1.0
170.07253	2.4
173.06013	0.7
175.07530	1.3
177.05466	4.1
177.06786	0.7
179.07050	1.2
179.08478	0.8
183.08008	0.6
186.06779	4.6
187.07497	1.4
189.06969	1.0
190.07764	0.9
191.08562	2.2
192.09340	0.7
194.07234	0.6
196.05199	0.5
200.08336	1.3
201.09117	3.4
202.07773	1.6
203.08559	1.7
205.06496	1.3
205.08540	1.6
206.07219	0.7
207.08142	1.0
208.08807	0.9
209.09639	0.7
214.06281	1.2
215.08559	1.0
217.08427	1.1
217.10318	0.8
218.07294	1.5
219.08070	5.6
220.08833	3.0
221.09502	0.7
222.06744	0.7
223.07472	0.7
223.11224	1.0
229.08574	9.6
230.07324	1.8
231.08031	5.7
231.10193	1.9
232.08858	1.6
233.05922	1.7
233.09570	3.7
234.06697	1.4
234.10376	1.7
235.07590	1.2
235.11107	1.4
236.08322	0.8
237.09119	1.5
242.40839	0.6
244.08798	0.6
245.05910	0.9
245.09636	2.2
246.07051	1.0
247.07530	11.1
247.09877	0.9
248.08321	7.0
249.09081	2.9
250.06314	2.1
251.07054	1.0
251.10684	0.8
258.06744	1.2
259.07562	3.0
260.08432	1.8
261.05359	0.9
261.09183	2.8
262.06274	1.2
262.09912	3.9
263.07288	1.3
263.10693	6.3
264.07782	2.3
265.08606	4.8
267.06509	0.8
269.08124	0.9
271.09659	0.7
273.09100	1.2
274.06192	0.6
275.07007	6.0
275.09958	0.8
276.07758	7.7
277.05194	1.3
277.08624	4.4
278.05716	1.6
278.09180	0.5
279.06470	1.7
279.10162	2.8
287.06921	1.2
289.08420	1.1
290.06320	0.8
290.09277	4.6
291.06805	0.9
291.10135	13.5
292.07330	5.1
292.10623	0.7
293.08044	8.2
294.08963	1.4
295.06015	1.2
295.09573	0.5
295.13202	0.8
299.09201	0.6
303.06595	0.9
304.07266	1.5
305.08081	3.3
305.11780	2.2
306.05151	0.6
306.08786	1.4
307.06061	1.5
307.09616	6.6
308.10397	5.5
309.07635	0.9
309.11066	1.4
310.08417	1.0
315.08649	2.4
318.08865	1.3
319.09595	7.9
320.06760	1.1
320.10342	1.0
321.07562	5.3
321.11093	1.1
322.08249	3.1
322.12033	2.7
323.05786	0.6
323.09207	1.1
323.12723	8.0
324.13693	1.1
325.10901	2.0
330.10959	2.1
333.11313	0.9
335.09082	2.6
336.09912	4.7
337.10684	7.1
338.07895	2.6
338.11325	0.6
339.12051	2.6
340.13007	1.2
350.11838	2.4
351.12323	14.0
352.13000	2.5
353.10205	9.4
354.10684	0.7
368.12573	12.3
383.14883	100.0
384.15256	2.6
443.17331	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01867	6.2
55.05495	2.8
57.03437	4.0
61.02919	3.9
67.05487	6.7
68.99787	3.3
69.03430	19.5
69.07076	1.8
71.04986	4.7
71.59727	2.3
73.02909	5.0
78.04711	2.2
79.05475	7.2
81.03420	20.1
81.07051	5.4
83.04980	2.5
85.02905	44.1
85.06531	3.0
87.00828	18.0
91.03967	2.9
91.05489	10.9
93.07053	7.2
95.04982	3.2
95.08601	5.2
97.02894	25.0
97.06530	2.1
99.04464	7.5
103.05490	2.9
105.01868	11.3
105.07024	8.1
105.35130	1.3
107.04958	32.2
107.08597	6.5
109.02881	24.1
109.06530	1.9
109.10165	3.9
110.03236	2.0
111.08051	1.6
115.03929	3.9
115.05444	6.6
116.06220	1.5
117.01797	1.9
117.07021	3.8
119.08586	5.2
121.06536	2.7
121.10167	2.2
123.04410	7.8
124.05222	2.5
125.05991	2.8
125.09633	1.6
127.03926	24.9
128.06252	2.7
129.01839	1.7
129.07028	5.5
131.04971	2.8
131.08571	6.5
132.05775	1.8
133.06499	2.7
133.10164	3.7
135.08086	11.3
137.05937	2.5
141.06992	1.7
143.08565	2.3
143.10628	2.0
144.05708	1.6
145.02876	2.3
145.04970	8.4
145.06458	2.9
145.10120	2.1
147.04454	2.4
147.08057	5.9
147.11729	3.6
151.03947	1.6
151.07545	3.2
152.04689	3.2
159.02937	8.3
159.08087	5.4
159.11641	2.0
161.05998	1.8
161.09590	2.7
161.13240	2.0
163.07541	25.2
165.09142	1.5
167.07045	100.0
168.07358	2.3
170.07146	1.5
171.11659	2.3
175.07538	10.2
177.05478	4.1
180.07860	1.2
181.05003	1.9
187.07556	13.2
189.03931	2.2
189.09068	3.1
192.07799	2.4
195.08350	3.2
195.10173	56.6
197.09518	1.5
199.07458	1.7
201.09140	1.5
201.16293	2.1
204.07843	2.3
205.08592	7.6
207.10150	20.8
211.07524	1.6
213.03888	1.7
217.08612	1.6
219.10065	6.9
221.11681	4.0
225.09039	2.7
225.11052	1.8
229.08540	2.1
231.04861	2.3
231.10210	2.5
233.11717	2.2
235.09700	3.7
237.11244	5.5
239.09299	1.5
247.09657	2.9
248.08366	1.6
249.11284	2.8
253.08699	2.8
261.11227	2.3
275.12802	1.9
281.17459	2.8
281.50949	1.6
285.11353	3.8
303.12268	9.3
339.12259	8.8
340.13116	2.1
342.40329	1.5
351.12225	2.6
425.21793	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74663	0.7
55.93510	1.4
56.96587	1.0
63.19506	0.8
67.05492	1.3
69.03412	1.9
69.07055	1.0
70.06245	1.1
70.06592	9.1
70.95504	0.7
70.95872	1.5
71.57684	1.1
72.08142	3.6
72.93777	6.1
73.49440	0.8
74.67242	0.7
81.03408	3.1
83.04970	1.5
84.04483	1.1
84.08125	0.8
85.02904	3.0
85.06554	0.9
86.06093	0.8
86.09705	7.8
89.91286	0.8
90.94818	4.1
91.05476	3.0
92.17279	0.8
97.02870	1.4
105.07017	1.4
107.08566	1.0
108.95880	2.0
109.02859	0.8
116.07075	2.3
116.96259	0.9
119.04939	0.9
120.08074	0.8
121.07626	1.9
126.55918	0.7
126.98396	1.0
127.03892	1.6
128.96419	0.9
132.95868	1.4
136.07584	1.5
144.99423	1.9
145.02754	1.1
146.97408	1.3
147.04393	3.7
149.05919	0.8
150.98454	0.8
154.97897	66.7
155.98273	1.2
156.50604	0.9
160.98967	1.9
164.99950	1.3
165.09059	1.2
166.97893	1.8
167.07010	0.8
168.99443	2.0
171.01073	0.9
172.98962	98.9
173.99319	1.4
174.96869	1.0
177.05420	3.6
178.08676	1.2
178.54359	1.0
178.97951	1.0
180.14915	1.2
180.99496	4.1
182.97398	2.1
183.01076	1.7
184.98964	6.2
187.00502	2.5
191.00043	0.9
192.99486	1.1
195.00914	1.0
196.00566	7.7
196.98947	11.7
199.00604	0.9
199.18094	1.4
200.98413	1.7
202.99834	1.0
203.01576	1.5
207.01108	1.0
209.02626	8.9
211.00537	7.2
212.98438	1.5
213.02063	1.4
215.00002	15.3
215.13643	0.9
217.11806	1.9
219.00980	7.3
220.00679	0.9
221.02574	12.2
223.00548	2.7
227.00125	1.9
227.03705	1.7
229.01424	1.0
230.99538	1.8
233.01051	21.7
235.00566	0.9
237.02367	0.9
238.01582	2.1
239.03629	14.2
241.01640	1.9
245.01118	2.4
251.03653	3.4
253.01591	2.3
262.05304	1.5
263.03540	4.3
269.04739	6.3
271.02554	1.7
281.04660	34.3
281.07712	1.7
281.18701	0.8
282.05084	1.2
283.02606	1.4
287.05695	2.2
299.05762	100.0
300.06067	2.3
322.07364	15.3
323.05661	6.2
323.15860	1.6
341.06912	5.7
353.06680	2.3
377.06876	1.4
383.07791	2.4
413.08774	1.1
414.41431	0.8
427.12637	1.0
443.09949	39.2
443.15100	2.2
443.25928	1.5
444.10019	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49573	0.5
53.03710	0.5
53.03949	6.4
54.04280	1.4
55.05502	1.3
57.03442	0.6
59.05009	0.6
67.05499	1.8
68.05831	0.4
69.03432	0.9
69.07076	0.8
70.16876	0.4
70.92301	0.7
70.92656	0.7
71.04990	1.7
79.05518	1.1
81.03423	29.4
81.07060	2.5
82.03754	7.5
82.07376	0.8
83.04984	2.2
83.65958	0.4
84.04517	0.5
85.02902	2.7
88.68839	0.4
91.05476	1.9
92.05811	0.5
93.07047	2.4
94.07413	0.4
95.04984	1.0
95.08622	2.4
96.08942	1.0
96.39400	0.5
97.02901	1.4
97.06545	0.4
105.07030	3.2
106.07407	0.7
107.08611	3.6
108.08952	1.6
109.02883	100.0
109.10138	4.1
110.03218	28.5
110.10497	1.6
111.04451	3.9
112.04820	0.7
115.03925	0.6
119.08604	2.3
120.08894	1.0
120.43370	0.4
121.06480	1.0
121.10132	1.4
122.10475	0.9
123.04447	0.7
123.08038	0.5
123.11726	0.8
127.03912	2.2
128.04245	0.6
129.05524	0.5
131.08566	0.8
132.08914	0.7
133.10147	1.8
134.10498	1.0
135.08083	1.1
135.11713	0.7
136.12030	0.5
137.06007	0.5
137.09615	0.5
143.08549	0.7
144.08914	0.6
145.02887	0.6
145.06506	0.4
145.10158	1.5
146.10458	0.9
147.08058	0.8
149.09630	0.7
158.10437	0.5
159.11681	0.6
161.09633	0.7
165.09195	1.5
171.11705	0.5
173.13239	0.6
174.13641	0.4
175.14903	1.1
177.05481	1.3
177.16435	0.5
185.09682	0.4
186.10129	0.4
187.14856	0.6
188.15187	0.5
189.12721	0.4
190.16687	0.5
191.14240	0.6
192.14735	0.5
194.07559	0.5
198.13658	0.5
199.11334	0.5
200.11511	1.0
203.17920	0.9
204.18336	0.7
217.12143	0.7
218.12706	0.5
274.18842	0.5
316.19849	0.7
396.33276	2.3
402.52490	0.4
424.21762	0.8
424.32620	0.9
442.17615	0.4
442.22964	2.3
442.33871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97218	0.7
53.03934	2.0
55.01861	2.6
55.05508	3.0
56.96571	0.9
57.03433	3.3
60.04515	0.7
61.02931	7.8
67.05489	1.1
69.03075	1.1
69.03430	15.0
69.07051	1.9
70.06588	3.8
71.01366	0.9
71.05003	4.6
71.60613	1.5
73.02916	4.3
76.07659	0.9
79.05488	1.0
81.03421	6.7
81.07053	1.8
83.01361	0.8
83.04981	1.4
83.08619	5.2
85.02908	100.0
86.09711	4.5
87.04475	2.8
91.03964	5.9
91.05490	2.6
93.07043	2.1
95.04960	1.8
95.08617	1.4
97.02895	25.3
99.04449	4.5
101.09653	2.1
103.03931	0.9
104.10767	0.9
105.07070	1.2
107.04956	1.5
107.08593	0.8
109.02882	7.9
111.04462	1.3
111.08072	1.6
113.09644	0.9
115.03952	1.0
116.07124	1.9
117.07008	1.0
119.04971	3.7
119.08614	0.8
121.06498	0.7
124.99979	0.8
127.03925	27.4
129.09140	2.1
131.10718	0.8
133.06519	1.2
133.10051	0.9
134.99651	0.8
135.04427	1.0
137.05992	1.3
139.07555	1.9
141.09106	1.2
145.04964	48.7
147.04407	11.5
147.11736	0.9
148.04759	1.6
151.07607	0.9
163.03954	1.1
163.06027	16.7
167.10712	1.1
169.08713	1.1
179.10561	0.9
181.07034	0.9
191.10628	0.8
193.05009	1.0
194.05455	0.8
197.11688	0.7
197.44530	0.8
209.11836	1.0
227.12854	3.2
236.66113	0.7
240.08742	0.9
245.13876	2.5
263.14807	4.5
281.17206	0.8
325.11346	1.3
421.03305	1.0
442.12921	1.0
442.25446	2.4
443.13754	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01870	2.2
55.05507	2.9
56.96575	0.8
57.03440	5.3
59.04982	0.7
61.02645	0.8
61.02931	8.4
67.05508	2.1
69.03074	1.1
69.03432	16.0
69.07058	2.1
70.06583	2.3
71.01347	2.0
71.05000	4.3
71.32935	1.1
72.08163	1.5
72.80536	0.6
73.02914	7.1
79.05494	3.5
81.03421	6.9
81.07068	2.0
83.01374	1.2
83.04987	1.0
83.08627	3.0
83.22371	0.7
84.38470	0.8
85.02908	100.0
85.06536	0.9
86.03224	1.6
86.09714	2.9
87.04462	2.6
90.20454	0.7
90.78096	0.6
91.03957	4.7
91.05481	8.2
93.07049	5.4
95.01349	1.4
95.04968	2.3
95.08611	2.4
97.02280	1.5
97.02895	22.7
97.06557	1.7
98.03218	0.7
98.97591	1.0
99.04462	4.5
100.87242	0.7
101.02396	1.2
102.48394	0.7
103.03955	1.8
105.07040	7.2
107.08610	3.0
109.02892	7.0
109.06538	1.3
109.10186	1.0
113.02390	1.5
113.09663	0.8
115.03957	1.7
116.07092	1.8
117.07012	1.7
118.07306	0.8
119.08588	12.6
120.08096	0.8
121.10174	1.6
124.07625	0.7
127.03918	24.9
129.09103	1.3
131.03360	1.2
131.08554	1.5
133.05016	1.0
133.06519	0.9
133.10201	0.9
135.08092	1.3
135.11729	1.2
137.09589	3.4
139.07527	1.5
140.10838	0.8
141.01839	2.9
141.09152	1.2
143.08560	0.7
145.04965	52.1
145.10118	3.4
146.10458	2.7
147.04431	1.7
147.11681	14.4
151.07539	1.2
157.10135	0.8
158.08124	0.7
159.02873	1.2
163.03954	0.9
163.06017	17.4
165.12801	3.0
173.09656	1.6
174.09995	1.8
175.11195	7.6
177.05505	3.1
187.33281	0.6
193.04900	1.0
193.12279	7.4
195.06477	1.1
209.11824	1.0
217.12321	0.9
227.12796	1.1
228.13522	1.9
245.13849	1.5
249.14967	0.9
263.15094	1.0
266.14694	1.5
267.15872	3.8
323.05701	0.8
325.11407	2.0
335.05573	0.7
398.18878	0.9
425.18127	1.8
442.17694	16.6
442.31638	1.2
443.19177	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	442.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01886	0.9
55.05505	1.3
57.03438	34.0
57.07067	1.2
59.04984	1.3
60.41529	0.7
61.02925	7.9
62.06092	1.2
67.05518	1.7
69.03431	25.4
70.06583	2.6
71.01342	3.0
71.04986	2.3
71.58354	1.4
72.08150	1.0
73.02918	53.2
75.04462	0.6
79.05491	0.8
81.03408	2.8
83.08625	0.7
85.02908	39.1
85.10188	2.3
86.09687	1.4
87.04469	5.1
91.03955	1.8
91.05492	1.4
93.07044	1.2
95.08607	26.5
95.78680	0.7
96.08960	1.1
97.02895	42.2
99.04458	2.0
103.03929	1.0
107.08554	0.9
109.02869	3.4
113.09644	10.7
115.03931	42.7
116.04237	0.8
119.08582	0.9
127.03924	12.5
131.10681	100.0
132.06525	0.9
132.11029	1.5
133.04965	17.4
135.11685	0.7
145.04968	12.0
150.07591	1.1
163.03896	2.4
163.06046	5.0
167.07048	4.6
175.11246	1.0
176.11444	0.9
177.05522	0.7
193.04980	1.1
223.06032	4.3
241.07082	5.0
245.14137	0.7
259.08167	3.6
270.92438	0.7
295.10190	3.5
442.17633	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57167	0.5
52.22525	0.5
53.03942	0.8
55.01854	1.3
55.05484	0.7
56.71263	0.5
57.03432	1.0
57.41316	0.5
67.05485	0.5
69.03420	2.6
69.07046	0.8
70.06580	2.2
71.01361	0.8
71.04984	2.3
71.58868	1.1
72.08138	0.9
73.74091	0.6
75.10060	0.6
76.50442	0.5
79.05433	0.8
81.03404	1.3
83.01355	1.0
84.04532	0.6
85.02895	5.0
86.09695	1.0
87.04445	1.7
90.91061	0.6
91.05461	1.3
93.07027	1.0
94.06539	0.7
95.04953	1.0
95.08604	2.0
97.02899	3.7
98.97602	0.7
99.04462	1.2
102.09124	0.6
103.05439	1.2
104.18269	0.6
105.01844	0.8
105.07050	0.9
106.06558	21.2
109.02893	0.9
113.09637	1.4
115.03925	2.2
116.98615	0.6
117.03355	1.3
117.05742	0.7
118.06517	1.2
119.04993	0.8
119.07333	0.9
120.08083	2.7
123.04434	0.7
127.03903	1.6
128.00777	0.8
130.06529	48.9
131.07187	1.1
132.04454	36.9
132.08089	10.4
133.04907	2.1
134.06027	1.2
136.07658	0.7
145.02840	2.6
145.04887	1.0
146.06017	9.8
147.04427	1.2
148.07578	48.7
149.07910	0.7
153.45657	0.6
158.06017	18.5
160.03346	0.6
161.06023	0.7
176.07076	100.0
177.05472	7.9
177.07225	1.1
178.05830	1.0
186.73535	0.6
194.08122	9.1
207.10193	0.8
215.13911	1.1
223.02879	0.6
235.79469	0.6
237.02922	1.0
266.85153	0.5
268.09546	0.8
280.11816	1.3
315.13318	0.8
442.07962	2.6
442.21921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.05521	26.3
57.07070	30.4
67.05499	33.1
69.07072	48.9
71.08631	31.9
71.33441	12.5
74.38194	4.8
79.05485	20.7
81.07054	100.0
83.08632	29.4
85.06513	12.0
85.10165	11.4
91.05463	17.6
93.07058	33.2
95.04946	9.3
95.08604	83.5
97.06506	8.5
97.10186	12.0
99.08080	15.8
105.07007	27.5
107.08583	21.7
109.06491	10.9
109.10146	33.5
111.08044	7.9
111.11680	7.4
117.06992	6.9
119.08575	27.9
121.10135	22.9
123.08110	5.8
123.11684	17.6
131.08537	5.7
133.10120	18.7
135.11685	27.1
143.08557	6.9
145.10091	16.4
147.11670	17.9
149.13301	6.9
159.11670	11.1
161.13246	41.1
168.10538	5.2
173.13188	5.0
177.16373	5.6
179.14302	25.3
187.14827	8.0
195.17488	15.6
197.15366	44.0
203.17969	6.4
205.39337	5.4
211.20593	20.3
217.19586	5.4
233.19067	13.1
247.34392	5.3
303.19672	7.9
322.56900	5.1
369.34979	10.0
387.36337	6.7
405.37308	37.6
406.06537	5.2
423.36502	7.6
441.38187	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.67047	3.6
55.05512	13.8
56.96563	4.3
57.07066	3.7
58.89318	2.9
59.05009	5.0
59.17720	3.0
67.05494	16.4
69.07067	31.4
69.59122	25.8
72.91902	3.5
79.05490	7.3
81.03434	7.6
81.07071	32.5
83.04970	5.7
83.08630	12.2
91.05487	9.1
93.07030	25.0
95.04975	3.5
95.08607	60.0
97.06552	4.6
97.10168	3.4
98.21638	3.1
105.07043	27.1
107.08608	52.9
109.02880	25.7
109.10155	39.7
111.11720	8.6
116.83493	3.2
119.08588	52.0
120.72468	4.2
121.10138	39.4
123.08076	5.9
123.11709	19.6
131.08556	10.6
133.10135	37.2
135.11694	34.9
137.09641	4.0
137.13275	10.1
143.08548	6.7
145.10081	18.3
147.11703	27.0
149.09674	4.4
149.13300	11.8
156.21471	3.8
158.10805	3.5
159.11710	25.0
161.01219	8.0
161.13272	19.0
163.14876	12.8
169.36516	3.4
171.11642	6.4
173.13278	14.4
175.14841	10.8
177.16382	17.9
179.12753	3.2
179.14314	7.6
187.14847	14.1
189.16411	48.3
191.17952	11.7
199.14935	4.1
201.16389	25.9
203.17929	38.3
207.17427	4.9
213.16386	5.2
215.17970	12.4
217.19514	15.5
229.19499	8.9
231.17630	4.1
243.21046	27.4
245.22676	8.7
247.20552	15.8
251.38585	3.5
257.22559	3.9
261.22229	15.2
271.75937	3.3
285.21609	4.6
287.23871	6.0
297.12854	3.5
313.25208	4.3
314.46255	3.2
405.35236	14.9
423.30783	6.8
423.36258	100.0
424.36462	7.1
441.25732	3.9
441.37411	98.3
442.37439	6.1
459.20471	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	441.3731
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
54.01015	0.9
54.51349	0.7
55.05523	1.2
57.07068	1.0
67.05492	2.7
69.07072	5.3
69.62354	4.7
69.62769	1.9
79.05474	1.2
81.07067	7.4
83.04968	1.9
83.08624	1.6
91.05462	1.8
93.07041	5.1
95.08607	12.1
98.21465	1.9
105.07042	3.3
107.08585	9.3
109.06531	1.0
109.10173	7.4
111.11753	1.3
119.08589	5.2
121.10178	7.5
123.11724	4.7
131.08591	1.2
133.10129	4.3
135.08061	5.2
135.11668	5.6
137.09654	1.4
137.13298	2.7
137.84758	0.9
138.21007	0.8
145.10129	1.4
147.11708	2.8
149.09604	8.4
149.13287	3.3
159.11708	2.0
161.13309	2.5
163.11151	1.3
163.14836	1.3
165.12814	1.0
173.13306	2.4
175.14854	2.6
177.12912	0.9
177.16418	2.5
187.14890	2.6
189.16364	2.3
191.17953	2.0
215.18033	1.4
223.38336	1.1
233.19084	2.5
235.17107	2.3
269.22650	1.9
285.71994	0.9
287.23749	3.7
405.35559	1.1
441.37335	100.0
442.37671	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	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.60990	6.9
55.05519	57.8
57.07071	24.8
58.91138	7.9
67.05499	30.3
69.07082	56.0
69.44174	7.8
71.22121	17.1
79.05465	17.0
81.07061	65.9
83.04962	7.2
83.08622	100.0
91.05499	11.1
93.07034	37.8
95.08611	87.1
97.06429	7.2
97.10168	20.9
105.07022	24.9
107.08604	59.0
107.90058	8.0
109.10165	59.4
111.08037	8.3
113.82191	6.9
119.08602	38.2
121.06594	10.0
121.10141	44.1
123.11720	27.3
131.08566	10.5
133.10149	32.4
135.11732	34.0
137.13213	17.2
143.08575	8.0
145.10136	19.9
147.11711	10.5
149.13268	12.2
161.13240	11.6
163.11217	7.7
163.14810	14.3
171.11780	12.0
173.13300	10.1
175.14850	13.7
177.16490	13.0
185.13193	11.5
187.15100	8.2
189.16402	10.9
191.17860	9.2
195.11728	9.1
201.16475	8.7
203.17992	12.2
211.74547	7.0
215.17891	9.5
229.19478	9.6
231.17467	10.9
235.16977	11.3
302.61963	7.5
405.35486	38.6
423.36319	25.4
441.38187	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	441.3729
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03949	2.0
55.05515	11.1
57.03437	2.7
57.07069	6.8
67.05505	17.6
69.07068	20.9
69.83399	2.2
70.80653	4.4
70.81013	5.1
79.05495	13.9
81.07054	38.6
83.08618	7.4
86.47578	2.4
91.05487	19.5
93.07047	33.9
95.08608	72.9
97.10167	7.4
105.07034	34.4
107.08595	52.1
107.09301	4.1
109.06530	3.1
109.10159	45.1
111.08105	11.7
111.11707	4.4
117.01408	2.1
117.07014	4.1
119.08585	45.4
121.10152	40.1
123.11708	24.9
125.09620	2.9
125.48175	2.6
131.08562	12.9
133.10133	45.0
135.11685	33.1
137.13237	5.4
145.10135	24.0
147.11699	33.9
149.13290	17.7
151.11143	6.7
157.10190	4.7
159.11703	28.4
161.13275	23.7
163.14841	18.4
173.13281	14.3
175.14844	10.9
177.16454	10.6
179.14299	6.8
187.14815	11.5
189.16380	24.0
191.17839	11.6
201.16345	18.7
203.17957	41.1
205.15891	3.5
205.19463	6.2
207.17410	21.0
213.16277	3.8
215.17950	23.0
217.19531	7.3
219.17424	42.2
219.19354	3.6
221.18997	26.0
227.17938	4.3
229.19504	4.6
231.17474	3.5
233.16652	5.1
233.19003	97.8
247.20692	3.3
255.21262	3.3
287.23746	4.7
301.25284	3.0
353.37967	2.0
403.79788	2.4
405.35220	8.0
411.36176	6.3
423.36215	57.5
441.37296	100.0
442.37555	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	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.8
57.07071	2.9
67.05487	15.1
69.07066	17.0
71.59148	3.7
79.05501	3.0
81.07047	19.5
83.04974	27.7
83.08614	6.3
85.06540	100.0
91.05477	7.4
93.07037	20.3
95.08603	37.9
97.06520	4.4
105.07022	9.6
107.08588	14.4
109.10167	16.5
111.08076	4.2
119.08586	8.9
121.10147	14.1
123.08077	3.2
123.11710	13.0
131.08549	6.0
133.10124	4.9
134.25682	3.5
135.08098	3.1
135.11722	9.3
137.13246	13.6
139.11157	4.6
145.10118	6.2
149.09622	3.5
149.13293	7.5
151.14789	3.2
159.11707	12.9
161.09680	3.9
163.14815	3.8
167.10687	56.6
173.13161	3.8
175.14827	5.6
178.26653	3.1
183.04851	3.3
185.13278	6.5
189.22469	3.1
191.17834	3.7
195.17139	3.0
196.75278	2.8
199.14807	3.3
203.14355	3.3
203.18077	4.7
219.17661	4.3
381.57657	3.1
385.84552	3.0
423.36221	11.1
441.16898	3.9
441.37567	31.2
442.36993	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
55.05510	10.5
55.27897	1.4
55.75554	1.3
56.89354	1.5
57.07072	5.6
59.05003	1.8
64.83898	1.3
67.05501	15.0
69.07059	14.2
71.08649	2.0
71.59432	1.5
71.59870	2.4
79.05485	10.7
81.07051	28.5
83.08617	10.2
85.06550	3.5
85.34386	1.4
91.05473	13.4
93.07033	25.8
95.08600	55.0
97.06532	2.8
97.10180	5.2
99.08077	2.4
99.22216	1.6
105.07027	25.8
107.08595	36.9
107.42122	1.7
109.06504	4.1
109.10154	33.8
110.21922	1.3
111.08083	8.0
111.11746	2.7
117.07047	2.3
119.08577	36.7
121.10140	30.7
123.08055	3.8
123.11699	21.1
125.09613	3.1
131.08589	9.7
133.10130	35.6
135.08102	1.8
135.11685	24.7
137.09656	3.4
137.13277	5.2
143.08568	4.1
144.09351	1.9
145.10123	17.7
147.11684	23.5
149.13252	12.6
151.11159	8.2
157.10136	2.7
158.10889	2.0
159.11690	17.5
161.13249	16.4
163.14790	13.8
165.09161	6.1
165.12743	3.4
173.13260	12.0
175.11093	1.7
175.14812	11.5
177.12640	1.7
177.16454	6.4
179.14441	3.1
185.13324	2.2
186.14265	1.7
187.14867	5.7
189.16373	10.4
191.17937	8.4
199.14983	2.4
201.16391	11.7
203.17949	26.3
205.19551	2.3
207.17459	10.5
215.17943	17.1
217.19522	4.0
219.17448	30.5
221.19009	21.5
227.17943	1.6
229.19492	1.7
233.18996	80.5
234.19344	2.4
241.19876	1.8
243.21184	2.5
301.65805	1.7
405.35187	4.9
411.36108	1.8
423.36365	27.9
424.36633	1.8
441.37387	100.0
442.37772	6.2
452.45422	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
52.50073	2.4
55.05510	13.3
56.24804	2.3
57.03438	2.4
57.07074	3.8
59.54115	2.3
65.03933	2.3
67.05503	20.9
69.07067	17.7
70.75307	5.6
70.75640	3.0
78.27697	2.0
79.05500	14.8
80.07068	1.9
81.07066	40.2
83.08634	10.6
91.05481	19.2
93.07044	41.3
95.04970	3.9
95.08602	78.0
97.06528	2.9
97.10180	4.4
103.05512	3.0
105.07027	33.9
107.08596	54.8
109.06552	2.7
109.09534	1.7
109.10155	56.5
111.08099	6.0
111.11724	4.6
117.06992	5.8
119.08582	60.6
120.01822	5.9
121.10146	45.0
123.08056	3.1
123.11714	24.4
125.09608	2.9
131.08548	18.4
133.10138	47.7
135.11688	35.8
137.09651	4.3
137.13210	4.8
139.11203	4.8
145.10124	23.9
147.11688	38.6
149.13257	17.4
151.11198	7.0
157.10132	4.5
159.11691	30.6
161.13261	26.7
163.14844	23.1
165.12775	4.2
171.11655	11.6
173.13275	19.1
175.14835	18.0
177.16359	9.3
179.14349	12.8
185.13219	5.6
187.14819	18.8
189.16376	25.0
191.17946	13.6
193.15927	4.7
199.14743	4.1
201.16380	16.8
203.17967	29.9
205.15854	29.7
205.19406	4.1
207.17439	27.3
213.16383	4.9
215.17960	21.6
217.19530	8.9
219.17455	16.3
221.19003	16.5
225.13628	2.4
225.16684	2.7
227.18027	4.9
229.19536	8.2
231.21066	3.7
233.18994	44.9
243.21080	6.5
247.20549	7.7
255.21049	7.2
257.22690	3.1
273.22128	15.6
283.24380	3.2
287.23660	4.7
299.23572	3.5
301.25381	4.5
327.26941	4.2
365.79739	2.4
405.35080	9.8
411.36221	5.4
423.30887	3.9
423.36240	46.2
424.36661	2.8
441.26062	28.9
441.37256	100.0
442.26038	3.2
442.37433	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	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03942	1.4
55.05513	35.2
57.07073	15.4
67.05502	8.4
69.07066	36.7
69.26218	11.7
69.99293	1.0
71.05009	1.3
71.08625	7.1
79.05492	8.0
81.07058	23.6
83.04978	2.4
83.08619	100.0
85.06547	1.5
85.10181	1.2
91.05495	7.0
93.07039	12.2
95.04974	1.5
95.08607	18.9
97.06527	2.7
97.10167	15.8
98.20759	1.7
100.98583	1.2
105.07009	8.5
107.08591	20.3
107.62253	0.9
108.58205	1.0
109.06519	3.5
109.10155	12.6
110.88616	1.0
111.08052	1.6
113.44780	1.1
117.07006	3.0
119.08595	8.2
121.06519	3.0
121.10139	8.3
123.08083	2.8
123.11736	3.7
125.09633	4.3
129.07050	2.8
131.08543	8.4
133.06494	1.3
133.10101	7.6
135.08153	1.2
135.11702	4.7
137.13251	2.0
139.14828	10.8
142.07813	1.4
143.08580	5.3
145.10127	6.6
147.08046	2.3
147.11696	5.7
149.06015	2.4
149.09602	1.1
149.13258	6.8
151.14803	2.7
153.12709	1.3
155.08577	1.2
157.10115	4.9
159.11684	5.6
161.09563	5.8
161.13219	2.4
163.11145	2.3
167.10643	1.8
169.10129	2.5
171.11653	1.9
173.13290	3.5
175.11240	2.4
175.14818	5.7
177.09018	1.2
177.16418	2.1
181.15851	1.7
183.11641	3.2
185.09671	1.4
185.13216	6.3
185.18115	1.1
187.11140	1.1
187.14839	2.5
189.12721	1.4
189.16452	1.9
191.17952	2.4
193.15981	1.2
195.11722	1.7
197.13300	1.5
199.14838	2.9
201.12767	1.7
201.16495	2.1
203.14326	1.6
203.17902	1.4
205.19493	1.8
211.14815	3.0
213.16411	1.9
215.14142	1.3
217.15863	1.2
221.15378	2.0
223.14833	1.7
225.16420	1.8
229.15753	1.2
231.13805	1.8
235.16913	2.1
239.14252	1.6
239.17950	2.1
241.19493	1.4
243.17401	1.5
249.16299	1.3
261.18567	1.9
267.17395	5.0
275.16580	1.7
281.22745	1.1
283.16919	1.7
285.18298	5.4
287.19971	2.6
297.22375	1.6
303.19443	7.3
315.23062	1.1
339.23318	1.5
399.32803	3.0
405.30795	5.7
405.35364	3.4
423.32208	17.8
441.33203	26.5
441.38730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3365
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05516	14.4
55.29588	1.5
57.07067	2.0
62.83541	1.4
67.05486	5.4
69.07075	13.8
71.08620	3.4
71.60652	1.5
71.61083	2.5
72.08535	1.6
79.75723	1.9
81.07049	8.9
83.08624	23.6
91.05492	4.3
93.07030	6.3
95.08588	9.6
97.10148	3.8
105.07008	6.6
107.08592	6.6
109.10160	5.0
117.07041	2.0
119.08594	4.0
119.29606	1.5
121.06480	3.6
121.10144	3.4
123.11727	2.1
123.24028	1.8
131.08630	2.8
133.10123	3.7
135.08089	2.5
135.11676	3.0
143.08566	2.4
145.10123	4.7
147.08054	2.9
147.11676	2.4
149.13310	2.6
157.10150	3.3
159.11697	3.7
161.13203	1.9
163.11206	1.5
173.13246	1.6
175.07582	7.3
175.14842	1.9
187.14886	2.0
235.16931	3.8
241.57155	1.8
275.16382	6.3
285.18475	2.8
301.17993	11.1
315.23367	7.8
318.80133	1.7
441.33606	100.0
442.33893	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.6
67.05499	1.7
69.07047	0.9
71.58485	0.6
71.62811	0.7
79.05467	0.5
81.03423	0.8
81.07064	1.5
85.10179	0.9
93.07045	1.7
95.08608	1.0
105.07043	0.6
107.08579	1.5
109.02876	1.2
109.10134	1.0
119.08653	0.9
122.03433	2.3
123.11714	0.8
137.09543	0.5
145.10167	0.8
146.07027	8.3
147.11700	0.7
174.39487	0.6
186.74579	0.5
188.74489	0.6
219.13560	33.9
237.14534	0.5
241.95053	0.6
245.11578	2.1
260.16202	2.6
286.88223	0.5
308.97678	0.6
317.17206	7.3
318.18027	0.7
319.18878	2.4
341.21170	0.8
422.24033	0.6
441.26135	100.0
442.26367	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.5
55.10289	4.1
57.07058	7.6
57.51175	4.0
67.05490	13.7
68.64611	3.3
69.07056	17.9
69.41689	12.6
69.42101	25.9
71.85332	3.7
79.05479	14.1
81.07056	100.0
83.04975	5.5
83.08605	16.4
85.10202	5.7
91.05473	10.3
93.07016	16.9
95.08607	21.9
97.06503	7.9
97.10168	9.4
98.20710	7.1
105.07037	12.2
107.08595	13.5
109.10147	24.9
117.12345	3.5
119.08573	9.6
121.06493	5.5
121.10144	6.8
123.11706	5.6
133.06505	4.9
133.10146	4.6
135.08054	8.3
135.11729	5.4
143.08580	3.7
145.10123	7.4
149.05959	21.2
149.09715	5.3
155.08583	4.5
161.09575	4.2
161.13269	4.8
165.09135	14.2
171.11761	5.5
181.15863	15.4
195.11685	7.5
256.08951	3.8
259.16940	11.3
273.82318	4.0
275.16333	7.8
300.95163	4.7
315.23129	11.8
339.22961	6.7
343.22729	11.0
357.24313	28.4
423.32541	9.6
441.33359	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3362
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05511	35.0
55.06545	3.6
57.07070	16.1
67.05502	15.4
69.07071	26.7
70.75302	3.2
70.78256	9.2
70.78583	3.2
71.08618	8.5
79.05480	17.7
81.07047	35.2
81.95219	3.6
83.08619	56.2
85.10210	4.8
86.09717	3.7
91.05479	15.3
93.07039	39.9
95.08606	31.4
97.10172	13.6
105.07039	18.8
107.08601	42.0
109.02858	8.8
109.06492	3.8
109.10181	22.0
109.10801	3.8
114.07010	3.6
117.06989	4.2
119.08593	20.6
121.06528	10.9
121.10159	34.1
123.08055	6.4
123.11694	7.2
127.07467	4.5
129.07002	3.9
131.08536	14.5
133.06551	4.4
133.10130	10.7
135.08057	9.6
135.11703	14.1
137.13242	4.0
143.08582	8.8
145.10121	14.7
147.08069	5.1
147.11693	9.5
149.09628	7.5
149.13243	6.3
149.95241	3.9
155.08572	5.7
157.10144	11.0
159.08066	13.4
159.11728	9.9
160.45657	3.5
161.09628	4.6
161.35187	3.4
163.11263	4.6
163.14801	6.2
167.14354	3.8
169.10104	4.0
170.10835	3.8
171.08105	3.7
171.11652	10.3
173.09605	15.3
173.13280	5.1
181.10196	3.9
183.11707	4.2
184.07364	5.4
185.13290	8.0
187.11169	5.3
187.14804	9.6
189.16461	3.6
191.17993	4.9
195.11702	4.8
197.13268	6.0
199.14891	7.1
201.12816	9.2
205.19514	11.5
207.13751	4.1
209.13397	6.5
211.14911	6.3
213.12808	4.9
215.14320	5.1
217.19408	4.5
227.14427	4.1
231.13759	6.6
233.15247	7.7
234.53156	3.5
237.16302	3.6
239.18007	5.3
245.15388	6.5
273.18491	9.5
283.16898	4.0
285.18591	19.1
285.21326	3.6
303.19440	7.1
315.23279	5.2
325.21484	7.4
339.23175	15.0
357.24173	10.9
405.31592	5.0
423.32394	34.0
441.26761	7.8
441.33566	100.0
446.65585	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38021	0.6
59.29217	0.7
60.57505	0.8
61.77789	0.7
67.05492	1.9
69.07056	1.2
71.08653	0.8
71.57676	1.4
73.42056	0.6
79.05480	1.2
81.03407	1.3
81.07040	2.9
91.05495	1.1
93.07037	1.3
95.08605	2.4
102.66782	0.6
107.08601	1.6
109.02875	6.0
109.10174	1.9
119.08571	0.9
120.01874	1.3
121.05501	0.6
121.10139	0.9
123.08108	1.1
131.08592	0.9
133.10101	0.6
141.05234	7.8
201.00471	0.8
204.12366	0.7
279.23224	0.9
323.19778	15.4
324.19952	0.8
340.19571	0.8
341.20615	4.1
363.11005	0.8
364.22333	3.4
423.31320	1.2
441.26038	100.0
442.26465	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	441.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84442	0.7
55.05497	1.4
64.02790	0.7
67.05483	2.5
69.07056	1.9
69.81479	4.3
71.35855	0.6
79.05501	0.9
81.07044	3.4
83.08615	2.2
91.05473	2.2
92.46362	0.7
93.07055	2.2
93.68999	0.7
95.04934	1.0
95.08074	0.9
95.08594	4.7
97.10192	0.9
105.07021	2.4
107.07922	0.7
107.08572	4.1
109.02871	1.9
109.10159	3.4
119.08593	2.5
121.10143	2.8
123.04179	2.4
123.11713	0.9
125.68880	0.8
131.08594	1.1
133.10115	2.0
135.11737	0.9
145.10126	1.2
147.11615	1.0
149.09631	1.3
149.13237	1.0
157.10124	0.8
159.11728	1.0
163.14902	0.8
165.07860	1.1
165.09105	6.7
203.17906	0.8
205.12337	1.1
220.45766	0.7
271.17694	0.8
283.16702	1.3
313.07739	0.7
341.20883	12.1
379.77194	0.8
397.26996	2.5
423.32468	1.1
441.26123	100.0
442.26520	3.1
450.40839	0.8
462.69229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72628	1.5
74.72083	0.4
75.27950	0.4
77.97582	0.4
80.01685	0.4
81.07059	1.4
93.07036	1.5
95.08611	1.5
105.07067	1.0
107.08585	1.1
109.10149	1.2
119.08614	1.3
120.01848	15.8
121.10149	0.8
123.11728	1.4
133.10144	0.5
135.04218	0.5
135.11667	0.5
145.10098	0.8
159.11728	0.8
161.13260	0.6
175.14758	0.5
219.13593	6.3
229.19598	0.9
260.16434	0.5
316.16644	1.4
333.59506	0.4
334.58057	0.5
341.20865	2.2
367.91824	0.5
441.26160	100.0
442.26486	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.05510	1.4
65.01844	0.6
67.05505	1.3
69.03455	1.0
69.07069	1.0
69.78088	2.4
69.78501	1.5
79.05503	2.7
81.03426	7.2
81.07064	3.8
83.05027	1.1
83.08658	0.7
85.02892	1.2
91.05500	2.8
93.07045	3.0
95.08620	2.7
97.02895	1.4
97.36265	0.6
98.20807	0.8
105.07056	3.8
107.08593	3.4
109.02888	25.6
109.10178	2.3
111.04470	1.5
111.08138	0.7
111.11678	0.6
119.08618	4.8
121.10149	2.2
127.03924	1.4
131.08578	1.0
133.06541	0.8
133.10139	2.2
135.08167	1.2
135.09247	0.7
135.11697	1.8
145.10165	1.8
147.04411	2.1
147.07991	0.9
147.11661	0.8
159.11763	1.7
161.09686	0.8
161.13316	0.8
163.11214	0.8
166.82266	0.7
171.11670	0.6
175.14841	1.8
177.12717	0.7
177.16376	1.3
182.60225	0.6
184.57706	0.6
187.14894	0.9
189.05475	0.8
189.16406	0.7
191.14401	0.7
193.12025	1.1
201.03735	6.6
203.05293	8.3
203.14398	0.7
203.17943	1.0
205.15805	1.0
227.05280	0.7
243.32874	0.7
245.06409	3.8
261.18323	3.3
263.19821	8.2
289.05313	20.4
322.30457	0.7
333.76419	0.7
344.27286	0.8
350.16837	0.7
355.17404	4.0
397.18338	15.7
409.65881	0.8
441.17392	73.9
441.24619	100.0
442.17850	5.8
442.24216	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	441.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.5
55.01890	0.4
55.05505	0.5
67.05500	1.6
69.07051	0.5
70.78345	0.4
70.86225	1.3
79.05484	0.9
81.03421	30.6
81.07046	1.4
83.04996	0.6
83.15131	0.5
91.05492	1.6
93.07039	1.6
93.88279	0.4
95.04967	0.8
95.08596	2.1
105.07036	2.3
107.08607	3.3
109.02885	100.0
109.10175	3.6
110.03246	1.2
111.04444	2.7
117.07014	0.5
119.08587	1.8
121.06537	0.6
121.10162	0.7
123.04489	0.4
127.03915	1.8
131.08562	0.8
133.10110	0.7
135.08041	1.2
143.08632	0.5
147.08057	0.9
149.09683	0.7
161.09665	0.5
165.09146	0.7
173.13217	0.5
185.09674	0.9
189.12793	0.5
199.11200	1.2
207.10194	0.6
217.12305	1.3
313.18274	0.5
315.19659	0.9
333.13342	0.4
386.27731	0.4
387.72849	0.4
392.98669	0.4
405.20569	0.5
423.21750	0.9
425.52686	0.4
441.23080	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.03946	4.5
55.01873	0.3
55.05510	0.9
60.86440	0.1
61.97984	0.1
64.97226	0.1
65.03956	0.2
67.05504	1.2
69.03434	0.6
69.07079	0.4
69.44372	0.1
70.98326	0.2
70.98658	0.3
71.05004	0.2
79.05507	0.9
81.03419	30.2
81.07054	1.2
82.03751	0.3
83.04982	1.6
83.08625	0.2
85.02908	0.1
91.05482	1.4
93.07040	1.4
95.04973	0.4
95.08618	1.7
97.02904	0.9
97.06549	0.4
98.97615	0.3
99.04445	0.2
103.05479	0.2
105.07030	2.4
107.04948	0.4
107.08602	2.6
108.08925	0.1
109.02882	100.0
109.10160	2.7
110.03160	1.1
111.04435	4.3
111.05199	0.3
111.08085	0.3
111.49068	0.1
117.07024	0.6
119.04967	0.2
119.08595	2.0
121.06520	0.5
121.10140	0.9
123.04412	0.6
123.08082	0.5
123.11663	0.2
125.06023	0.2
127.03917	2.1
128.06236	0.2
129.06975	0.5
131.08546	0.9
133.06494	3.3
133.10123	1.6
134.06708	0.1
135.08064	1.0
135.11687	0.3
137.05980	0.2
137.09648	0.3
141.07004	0.3
142.07811	0.2
143.08569	0.5
145.06506	0.3
145.09193	0.1
145.10147	1.0
147.08029	0.8
147.11702	0.3
149.06104	0.2
149.09618	0.6
149.13168	0.1
155.08620	0.2
157.10139	0.8
158.07239	0.1
159.08046	0.4
159.11725	0.5
161.09608	1.0
161.13193	0.2
165.09117	1.0
167.08595	0.2
169.10135	0.3
171.08147	0.2
171.11693	0.8
173.01204	0.2
173.09608	0.2
173.13245	0.3
175.07497	0.2
175.11172	0.3
177.00673	0.2
177.05513	0.2
179.08513	0.2
179.10678	0.5
181.08650	0.2
181.10103	0.4
183.08073	0.1
183.11713	0.3
185.09586	0.9
185.13193	0.2
187.11211	0.3
189.09131	0.5
189.12781	0.2
191.10666	0.2
195.11742	0.3
197.09685	0.2
197.13245	0.3
199.11147	1.0
201.12798	0.2
202.98586	0.2
203.10692	0.6
207.10100	0.7
211.11290	0.2
215.10648	0.3
217.12263	1.2
223.11263	0.2
225.09225	0.2
225.11047	0.7
229.12277	0.2
231.13742	0.2
232.49055	0.2
243.10350	0.2
246.06805	0.2
267.17307	0.3
277.15897	0.3
283.16940	0.2
295.16907	0.5
297.18494	0.4
306.08636	0.2
313.18073	0.8
315.19629	1.0
331.18948	0.5
333.12927	0.3
349.10474	0.3
377.20877	0.2
381.13254	0.4
397.12769	0.2
405.20483	0.4
423.21509	1.0
441.16263	0.2
441.22638	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85042	0.2
51.02383	0.4
53.03941	5.1
55.01844	0.3
55.05503	1.0
57.03432	0.3
67.05499	2.8
68.45480	0.3
69.03423	1.1
69.07059	1.0
69.61481	1.7
71.05000	1.3
73.02901	0.4
79.05494	1.6
81.03410	30.0
81.07056	3.0
81.63418	0.2
83.04967	1.4
83.08618	0.5
85.02898	1.9
89.03908	0.3
91.05473	2.3
92.33189	0.2
93.07030	3.0
95.04951	1.0
95.08600	5.0
97.02879	1.7
103.05505	0.3
105.07022	4.5
106.07372	0.3
107.04991	0.6
107.08585	5.4
109.02871	100.0
109.09451	0.4
109.10154	4.8
110.03211	1.0
111.04424	4.6
111.08104	0.2
115.03925	0.4
117.03383	0.4
117.07018	0.9
119.04945	0.2
119.08567	3.8
120.08927	0.3
121.06519	1.2
121.10135	2.3
122.06783	0.2
123.04446	0.7
123.08068	1.8
123.11723	0.6
125.05944	0.2
127.03915	1.9
129.05482	0.4
129.07021	0.6
129.09380	0.2
131.08553	1.0
133.04967	0.4
133.06494	2.2
133.10110	3.1
134.10434	0.3
135.04393	0.9
135.08046	1.1
135.11671	1.5
137.09615	0.5
142.07738	0.3
143.08572	1.3
145.02835	0.8
145.04951	0.3
145.06506	0.4
145.10127	1.9
146.10481	0.2
147.08080	1.2
147.11674	1.6
149.09631	1.1
149.13237	1.8
151.07489	0.3
151.11221	0.3
153.01833	1.4
156.09358	0.3
157.10132	0.7
159.08041	0.5
159.11697	1.1
161.05962	0.2
161.09590	1.7
161.13226	0.8
163.03883	5.2
163.11154	0.5
163.14839	1.7
165.07007	0.3
165.09073	1.3
169.10063	0.6
171.11705	0.7
173.09584	0.5
173.13246	1.1
175.11220	0.3
175.14815	1.4
177.05446	0.5
177.09149	0.3
177.12679	0.4
177.16388	1.4
179.10651	0.5
183.11725	0.3
185.09648	0.6
185.13260	0.6
187.11197	0.4
187.14813	1.4
189.09103	0.9
189.12740	0.9
189.16368	1.5
191.10655	0.4
191.14258	1.6
191.17937	0.4
193.04987	0.4
197.13199	0.3
199.11174	0.6
199.14902	0.3
201.09039	0.3
201.12622	0.3
201.16328	0.5
203.03404	0.3
203.14354	0.4
203.17949	3.9
204.18196	0.3
205.19402	0.3
207.10182	0.6
211.14705	0.3
213.12685	0.4
213.16432	0.3
217.12283	1.2
217.15852	0.6
225.11162	0.5
227.10818	0.3
241.08620	0.4
295.16998	0.5
313.17920	0.6
315.12375	0.3
315.19550	1.1
331.18915	0.4
333.13126	0.5
355.14261	0.6
377.31842	0.6
395.33002	2.9
405.20505	0.5
405.31982	0.3
406.29471	0.3
412.21484	0.2
423.13885	0.3
423.21225	0.6
423.32523	0.7
436.54852	0.2
441.15244	2.0
441.22607	2.3
441.33243	2.8
442.15881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03948	5.2
55.05519	0.4
61.77267	0.3
64.01057	0.3
67.05507	1.3
69.03425	0.5
69.07072	0.5
70.66019	1.1
71.05019	0.3
79.05495	0.8
81.03424	29.4
81.07060	0.9
83.04990	0.9
91.05466	0.7
92.96940	0.3
93.07070	0.8
95.08635	2.2
98.39458	0.3
105.07050	2.0
107.08611	3.1
109.02888	100.0
109.10162	3.2
110.03216	0.8
111.04454	4.8
111.08087	0.4
119.08579	2.0
121.06492	0.7
121.10137	0.6
123.04478	0.5
123.08086	0.7
125.02349	0.4
127.03957	1.6
128.06230	0.3
129.06931	0.3
131.08600	0.4
133.06529	1.5
133.10156	1.2
135.08081	0.7
135.11697	0.5
143.08563	0.4
145.10181	0.7
147.08067	0.8
149.09622	0.4
157.10173	0.4
159.11757	0.4
161.09650	1.0
165.09225	0.8
171.11710	0.5
173.09654	0.5
175.11012	0.4
179.10608	0.3
181.10231	0.4
185.09596	0.6
185.13199	0.3
189.09108	0.6
189.12714	0.3
191.14293	0.4
197.99022	0.4
199.11218	0.6
203.17998	0.6
207.10228	0.6
217.12247	0.7
225.11223	0.7
295.17203	0.3
313.18219	0.7
315.19675	0.6
374.49405	0.3
395.33093	1.4
423.21619	0.9
441.22617	1.6
441.33463	0.9
467.52637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
53.03950	5.9
55.05518	0.7
64.68083	0.3
67.05505	2.0
69.07058	0.5
69.35751	3.1
69.40804	0.3
79.05496	1.2
81.03422	28.2
81.07054	1.7
82.03771	0.4
83.04984	0.9
91.05486	1.6
93.07016	1.4
95.04977	0.9
95.08606	2.4
97.02900	0.6
97.06499	0.5
105.07021	2.8
107.08577	3.2
108.08895	0.3
109.02884	100.0
109.06517	0.8
109.10158	4.0
110.03217	1.0
111.04455	3.9
117.07021	0.6
119.08589	2.3
121.06499	0.9
121.10154	1.1
123.04422	1.0
123.08096	0.6
123.11668	0.6
127.03935	1.4
129.06996	0.8
131.08588	0.6
133.06485	1.7
133.10168	1.1
135.08058	1.3
135.11671	0.7
138.23001	0.4
140.25374	0.3
142.07777	0.4
143.08533	0.9
145.10133	1.1
147.08037	0.9
147.11752	0.5
149.09663	0.8
154.56920	0.3
157.10132	1.0
159.11694	1.0
161.09651	1.1
163.03896	0.4
165.09164	0.9
169.10170	0.6
171.08151	0.3
171.11681	0.9
173.09602	0.4
175.11200	0.4
179.10695	0.4
185.09607	1.1
185.13281	0.4
189.09157	0.4
191.14194	0.4
199.07605	0.3
199.11212	1.2
201.09131	0.4
203.10713	0.7
207.10126	0.3
215.10799	0.4
217.12262	1.0
225.11220	0.5
227.10895	0.4
239.18129	0.4
241.08810	0.4
269.15494	0.6
297.18478	0.6
313.18045	0.4
315.19482	1.2
331.18906	0.4
333.13202	0.6
395.33347	0.4
423.21591	1.0
441.15417	1.2
441.22665	2.2
441.28195	12.5
441.33282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32443	0.2
51.02391	0.3
53.03949	5.2
55.01846	0.2
55.05514	0.6
62.34391	0.2
65.03921	0.2
67.05505	1.7
69.03430	0.3
69.07080	0.4
69.86467	0.4
69.86886	0.6
79.05502	1.0
81.03419	29.4
81.07062	1.1
83.04971	0.7
87.14297	0.2
91.05490	1.4
93.07043	1.5
95.04976	0.8
95.08616	2.3
97.02882	0.4
97.06552	0.2
105.07027	2.2
107.04982	0.3
107.08603	2.6
109.02882	100.0
109.06527	0.6
109.10155	4.1
110.03178	0.9
111.04439	2.4
111.08107	0.3
115.05418	0.2
117.07027	0.6
119.08600	1.7
121.06544	0.3
121.10156	0.8
123.04454	1.1
123.08012	0.2
127.03942	1.3
129.07010	0.3
131.08577	0.8
133.06509	0.6
133.10139	1.5
135.08047	1.2
135.11685	0.4
139.07599	0.2
141.07056	0.2
143.08588	0.7
145.10127	0.6
147.08061	0.8
147.11671	0.2
149.09627	0.8
155.08511	0.3
157.10114	0.6
159.11671	0.3
161.09615	0.8
165.09090	0.9
169.10112	0.3
171.11711	0.6
175.11165	0.4
179.10698	0.6
181.10173	0.3
183.11682	0.3
185.09595	0.8
187.11169	0.2
189.09116	0.4
189.12790	0.4
195.11821	0.3
197.13214	0.3
199.11246	1.3
203.10710	0.3
207.10237	0.3
217.12206	1.2
225.11121	0.4
229.31781	0.2
237.12900	0.2
280.82434	0.2
281.19571	0.2
313.18051	0.3
315.19553	0.8
333.13281	0.7
349.21057	0.3
395.22028	0.3
405.20490	0.3
423.21497	0.8
441.22549	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
54.98382	0.4
55.05519	0.5
57.07050	0.6
59.04984	0.6
67.05510	1.9
69.03410	0.5
69.07061	1.5
70.72620	0.9
79.05504	1.5
80.98835	0.4
81.03416	27.2
81.07060	3.3
82.03767	0.5
83.04954	0.6
83.08617	0.5
84.80602	0.4
89.49310	0.4
91.05466	1.5
91.57478	0.4
93.07039	2.6
95.04984	0.6
95.08606	2.6
96.14149	0.3
99.48067	0.3
105.07061	2.6
107.08602	3.9
109.02879	100.0
109.10155	4.5
110.03210	1.7
111.04463	2.6
111.08090	0.4
117.07009	0.7
119.08577	2.3
121.06556	0.4
121.10159	1.9
123.04405	1.0
123.08096	0.4
123.11674	0.4
127.03902	1.2
129.07040	0.5
131.08582	0.9
133.06560	0.5
133.10141	1.5
135.08054	1.5
135.11673	0.6
137.09628	0.4
143.08601	0.5
145.10162	1.3
147.07962	0.8
147.11694	0.6
149.09648	0.9
149.13177	0.6
157.10104	0.8
159.11583	0.9
161.09608	0.8
165.09172	0.6
169.10194	0.5
171.11723	0.5
173.09674	0.4
179.14301	0.4
181.10126	0.4
185.09589	0.6
189.09157	0.5
189.16330	0.5
196.51099	0.4
197.09613	0.5
199.11180	1.0
203.10686	0.5
217.12247	1.2
227.10767	0.4
252.74193	0.4
300.26154	0.6
315.19464	1.1
333.13309	0.7
347.72787	0.4
363.95474	0.4
375.94019	0.5
423.21515	0.6
423.31033	1.2
428.05539	0.4
439.04898	0.5
441.22256	2.3
441.31793	0.5
441.37735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58157	0.3
51.02370	0.6
53.03946	5.4
54.40382	0.3
55.05500	0.5
65.34448	0.3
67.05505	1.8
69.03435	0.6
69.07063	0.4
70.14428	0.8
70.14848	1.0
73.08646	0.3
79.05494	0.5
81.03421	27.5
81.07055	1.0
83.04987	0.9
89.77860	0.3
91.05492	1.1
93.07031	0.9
95.04940	0.5
95.08607	1.4
96.84267	0.4
97.02900	0.5
98.20659	0.3
105.07048	2.1
107.08593	3.0
109.02883	100.0
109.10158	2.8
110.03225	1.5
111.04436	3.9
115.42570	0.3
119.08591	1.7
121.06525	0.5
121.10105	0.8
123.04442	0.5
123.08065	0.5
125.33585	0.4
127.03920	1.6
131.08588	0.8
133.06467	1.9
133.10155	1.2
135.08069	0.6
143.08554	0.6
145.10112	0.5
147.08118	0.4
157.10101	0.5
159.11647	0.6
161.09659	1.0
165.09117	0.4
169.10124	0.5
171.08167	0.4
172.99861	0.3
173.13332	0.5
185.09685	0.8
189.09090	0.5
199.11153	0.8
211.11226	0.3
217.12273	0.7
223.14813	0.5
225.11063	0.6
255.85698	0.3
295.16928	0.5
302.98380	0.4
313.17896	0.6
315.19638	0.9
357.63232	0.3
423.21707	0.8
441.22516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39113	0.3
51.53427	0.2
53.03946	5.1
55.01864	0.3
55.05502	0.5
57.03419	0.3
67.05489	1.3
69.03423	1.1
69.07052	0.3
69.53580	2.3
75.03278	0.3
79.05502	0.6
80.47984	0.3
81.03419	27.3
81.07047	1.1
82.03747	0.5
83.04960	0.8
85.02937	0.2
91.05456	1.5
93.07037	1.7
95.04983	0.6
95.08614	1.8
97.02901	0.5
97.06519	0.4
105.07034	2.7
107.08592	3.3
109.02881	100.0
109.10172	2.8
110.03165	1.5
111.04439	4.4
111.08046	0.3
111.82838	0.3
112.05119	0.3
117.07019	0.5
117.91818	0.2
119.08591	2.1
121.06512	0.6
121.10138	1.0
122.42683	0.2
123.04397	0.6
123.08086	0.4
127.03917	2.1
129.06943	0.3
131.08586	0.7
133.06503	1.5
133.10112	1.4
135.08037	0.6
135.11708	0.4
137.05986	0.3
137.09631	1.1
142.07764	0.5
143.08598	0.6
145.10138	1.1
147.08069	0.7
147.11708	0.3
149.09633	0.6
155.08511	0.6
157.10150	0.9
159.11674	0.5
161.09651	1.1
161.13315	0.3
163.11201	0.4
165.09134	1.1
169.10136	0.6
171.11679	0.9
173.09538	0.4
173.13338	0.3
175.14819	0.3
179.10672	0.4
185.09644	0.9
185.13280	0.6
189.09177	0.6
189.12701	0.3
193.15926	1.0
197.09775	0.4
197.13226	0.4
199.11229	0.8
201.09135	0.3
203.10764	0.3
207.10179	0.3
217.12268	0.7
225.11278	1.0
239.14354	0.4
275.01575	0.3
313.17938	0.6
315.19644	1.0
331.19058	0.4
333.13208	0.5
423.21600	1.2
441.22534	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.05502	0.5
67.05499	1.5
69.03433	0.7
69.07059	0.5
70.08015	2.2
79.05482	0.9
81.03418	29.4
81.07044	0.9
83.04991	1.0
91.05491	1.4
92.41686	0.5
93.07050	1.6
95.08620	2.1
103.85278	0.4
105.07014	2.5
107.04977	0.5
107.08591	3.8
109.02880	100.0
109.10193	2.9
110.03230	1.4
111.04436	5.2
111.08070	0.5
116.09400	0.4
119.08582	2.1
120.41430	0.5
121.10137	1.0
123.04414	0.6
123.08083	0.4
127.03917	1.5
131.08597	0.9
133.06483	1.8
133.10126	1.5
135.08055	1.0
143.08601	1.0
145.10201	0.7
147.08034	1.0
154.78619	0.4
156.09334	0.4
157.10141	0.5
161.09639	1.2
165.09129	0.9
169.10104	0.6
175.11205	0.5
181.20015	0.4
185.09601	0.8
189.09033	0.4
190.16922	0.5
191.17964	0.5
199.11171	0.9
203.17986	0.6
204.18391	0.6
207.10043	0.6
217.12195	1.2
225.11247	1.1
251.09389	0.6
275.56213	0.5
299.08249	0.5
315.19360	0.8
319.09409	0.5
326.39395	0.4
377.21045	0.4
378.15295	0.7
423.21515	0.9
441.22888	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03703	0.4
53.03946	5.9
55.05505	1.0
57.03436	0.3
65.03953	0.3
66.23314	0.3
67.05500	1.2
69.03430	1.1
69.07061	0.4
69.50616	1.4
69.51044	0.7
79.05499	1.3
79.13795	0.3
81.03423	28.5
81.07059	1.4
82.03762	0.3
83.04986	1.1
85.02898	1.0
91.05499	1.2
93.07046	2.3
95.04958	1.0
95.08611	2.1
97.02914	1.0
97.06546	0.4
98.20773	0.6
105.07030	3.4
107.04920	0.3
107.08603	3.7
109.02884	100.0
109.10152	2.8
110.03201	1.6
111.04442	4.3
111.08130	0.3
115.03944	0.3
117.07010	0.5
119.04872	0.3
119.08598	3.1
121.06513	0.8
121.10149	1.3
123.04423	0.6
123.08099	0.7
123.11720	0.4
127.03929	2.4
131.08572	1.1
133.06500	2.0
133.10100	1.6
135.08055	1.1
135.11737	0.5
137.09569	0.3
143.08565	1.1
145.10185	1.6
147.08057	0.9
147.11722	0.8
149.09621	0.7
155.08574	0.4
157.10147	0.9
159.08141	0.3
159.11684	0.6
161.09602	0.8
161.13251	0.3
163.11227	0.9
165.09145	0.7
167.38637	0.3
169.10153	0.6
171.11702	0.5
173.09660	0.8
175.11238	0.5
175.14703	0.3
177.83151	0.3
179.10696	0.7
181.10184	0.5
185.09656	0.7
185.13269	0.3
187.14796	0.3
189.09152	0.7
189.16519	0.3
191.10773	0.8
193.12204	0.3
197.13274	0.4
199.11203	0.8
207.10162	0.4
215.43930	0.3
217.12276	0.7
217.15892	0.5
225.11234	0.6
243.10025	0.3
258.43637	0.3
265.14301	0.5
295.16776	0.3
297.04239	0.7
313.18130	0.9
315.19604	0.8
331.18951	0.4
397.18466	1.5
420.43713	0.3
423.21548	0.8
441.08401	0.4
441.17282	5.4
441.22968	2.0
442.31567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
53.03951	6.8
55.01862	0.4
55.05500	0.9
59.04985	0.3
67.05496	1.3
69.03424	0.8
69.07071	0.9
75.57693	0.3
77.55180	0.3
79.05508	0.7
79.21071	0.3
81.03419	31.3
81.07060	0.9
82.03739	0.4
82.69757	0.3
83.04978	1.3
91.05477	1.1
93.07044	1.2
95.04967	0.7
95.08594	1.9
97.02895	0.9
97.06525	0.5
105.07028	2.4
107.04929	0.3
107.08603	2.3
109.02882	100.0
109.10162	3.0
110.03200	1.4
111.04440	4.7
117.07009	0.5
119.08585	1.9
121.06512	0.4
121.10147	1.1
123.04498	0.4
123.08118	0.4
127.03948	1.5
131.08554	0.8
133.06509	3.3
133.10127	1.4
135.08070	0.7
135.11745	0.5
142.07823	0.3
143.08566	0.9
145.06488	0.3
145.10156	0.7
147.08060	1.2
149.09654	0.4
157.10124	0.7
159.11700	0.5
161.09633	1.2
163.11130	0.3
165.09093	0.8
169.10168	0.3
171.11719	1.2
173.13272	0.5
179.10713	0.5
183.11769	0.4
185.09630	0.7
189.09142	0.5
197.13255	0.4
199.11153	0.8
207.10184	0.6
217.12213	0.7
223.14914	0.3
225.11217	0.9
253.16006	0.4
270.36893	0.3
287.16675	0.3
295.17014	0.6
297.18768	0.3
313.18146	1.0
315.19580	0.7
331.19174	0.7
405.20874	0.6
423.21857	1.2
441.22769	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
51.35619	0.2
53.03947	5.1
55.01873	0.6
55.05515	0.6
56.59656	0.3
65.03934	0.3
65.63232	0.2
67.05498	1.7
69.03414	0.9
69.07089	0.6
69.73676	1.2
69.74092	0.4
76.43446	0.3
79.05492	0.9
81.03418	28.9
81.07053	1.5
82.03747	0.5
83.04982	0.8
85.02902	1.0
91.05490	1.4
91.49731	0.3
93.07050	1.9
95.04965	0.9
95.08604	1.5
97.02884	1.1
97.06526	0.4
98.21454	0.6
99.04478	0.4
105.07030	4.0
107.08608	3.1
109.02882	100.0
109.10153	2.8
110.03163	2.0
111.04440	4.9
111.08069	0.3
117.07005	0.6
119.08599	2.5
121.06489	0.7
121.10148	1.1
123.04430	0.8
123.08050	0.8
123.11713	0.4
127.03925	2.4
129.06998	0.4
131.08592	0.9
133.06474	2.1
133.10127	1.8
135.08052	1.2
135.11717	0.5
141.06999	0.3
142.07814	0.4
143.08557	0.7
145.06456	0.3
145.09100	0.4
145.10117	1.8
147.04384	0.3
147.08032	0.9
147.11703	0.5
149.06030	0.3
149.09625	0.7
153.07051	0.3
155.05525	0.2
155.08507	0.3
157.10202	0.8
159.11729	0.7
161.09644	0.8
161.13301	0.5
163.11224	0.9
165.09152	0.9
169.10179	0.5
171.08057	0.3
171.11723	0.8
173.09680	1.1
175.11197	0.3
175.14868	0.7
177.09131	0.3
185.09662	0.8
185.13251	0.5
187.11195	0.4
187.14886	0.3
189.09120	0.4
191.10677	1.2
191.14360	0.4
199.11212	0.9
201.09166	0.3
203.10764	0.3
207.10158	0.8
213.12985	0.3
217.12291	0.9
221.11517	0.3
225.11235	0.8
238.79936	0.2
241.12404	0.3
249.16464	0.2
265.14294	0.6
295.16867	0.5
297.04282	0.5
297.18555	0.3
313.18118	0.4
315.19550	1.1
331.19186	0.3
333.13202	0.3
341.27930	0.3
355.17407	0.3
395.22122	0.3
397.18423	1.5
405.20355	0.5
423.21710	0.9
423.32742	0.4
441.08383	0.3
441.17328	6.1
441.23126	2.8
442.17542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03948	6.4
55.05498	0.8
67.05500	1.1
69.03442	0.3
69.07081	0.3
70.13287	1.7
79.05493	0.6
81.03423	30.3
81.07056	0.9
83.04981	1.0
91.05492	1.2
93.07047	1.2
95.08633	1.7
97.02916	0.4
105.07026	1.5
107.04910	0.4
107.08601	3.9
109.02885	100.0
109.10168	3.1
110.03235	1.3
111.04454	4.4
119.08585	2.5
121.06492	0.4
121.10173	0.8
127.03935	1.4
127.88757	0.3
131.08577	1.0
133.06494	1.5
133.10130	1.1
135.08046	1.7
143.08578	0.5
145.10138	0.4
147.08017	0.7
147.11728	0.4
149.09622	0.5
161.09619	1.1
165.09113	0.5
173.09563	0.3
181.10046	0.4
183.11458	0.3
185.09691	0.5
189.09135	0.4
199.11133	0.4
207.10237	0.3
217.12250	0.7
225.11295	0.9
279.17551	0.4
313.18158	0.6
315.19629	1.1
395.32965	1.0
405.20755	0.4
410.01221	0.4
423.21591	0.8
441.22662	2.4
441.32825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62800	0.5
53.03941	2.1
53.21862	0.6
55.01859	2.0
55.05518	3.6
57.03423	1.0
57.07075	1.2
59.05024	0.7
59.22139	0.7
61.02927	1.4
61.68589	0.6
67.05508	4.0
68.99794	1.3
69.03433	10.8
69.07069	8.7
69.54453	1.9
69.54878	2.8
71.04987	1.1
73.02917	1.7
79.05501	3.5
81.03421	5.1
81.07059	6.7
83.08611	3.7
85.02907	17.2
85.06564	3.0
87.00837	7.6
91.05481	5.1
93.07046	8.9
95.04961	1.6
95.08607	15.9
97.02894	11.4
97.06513	0.8
99.04443	2.8
101.02362	1.6
103.03910	0.9
105.01875	9.0
105.07036	10.7
107.04978	0.8
107.08598	16.3
109.02885	10.4
109.06528	1.7
109.10150	9.3
111.08083	2.2
113.02394	0.9
115.03933	2.0
117.01869	0.8
117.07011	1.8
119.08583	34.2
120.08855	0.7
121.10149	26.5
123.04498	0.7
123.08092	1.7
123.11694	1.8
125.02381	4.4
127.03927	11.6
129.01833	1.5
131.08568	2.7
133.06534	1.0
133.10133	33.6
134.10701	0.8
135.08040	1.4
135.11690	5.5
137.09607	1.5
143.03395	2.4
143.08597	0.6
145.04977	4.8
145.10103	6.5
147.02948	0.8
147.11699	10.6
149.09595	1.7
149.13235	3.3
157.10095	1.7
158.10980	0.6
159.02872	3.4
159.07965	0.7
159.11685	3.5
160.06081	0.7
160.12431	1.4
161.09631	0.6
161.13272	6.4
163.07535	0.8
163.14810	0.8
169.10124	0.6
170.10892	0.8
171.11652	1.1
173.13258	4.6
175.14828	100.0
176.15205	3.8
177.16393	24.4
178.16727	0.9
185.13347	0.9
187.14819	7.4
189.04054	1.0
189.16402	1.2
193.12172	0.8
193.14177	1.1
193.15886	10.0
199.14809	0.9
201.03944	0.7
201.16464	1.1
203.10611	0.9
205.15878	21.1
205.17798	1.2
211.14833	0.8
213.03981	1.0
217.12286	0.8
217.15900	1.1
219.17459	0.8
229.03487	0.9
229.15831	1.0
231.04987	5.1
233.15370	1.0
241.15771	0.7
247.04448	1.4
247.16856	0.8
249.06058	1.5
265.15799	1.2
283.16983	2.2
301.17999	3.5
319.19217	1.2
347.14600	0.6
372.83893	0.7
387.18195	1.0
405.19391	3.1
423.20151	2.5
441.21335	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	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.9
53.76257	1.0
55.05510	3.4
57.03458	1.6
57.07081	2.4
59.06573	1.2
61.02936	1.4
67.05506	4.5
68.99808	1.2
69.03438	12.2
69.07066	11.4
71.04966	1.5
71.59407	2.5
73.02917	1.8
77.51816	1.2
79.05504	3.5
81.03428	7.9
81.07063	7.8
83.05008	1.3
83.08631	4.9
83.29498	1.3
85.02921	17.2
85.06545	4.6
87.00851	7.3
91.05495	6.6
93.07063	9.2
95.04972	2.6
95.08610	18.9
97.02900	13.6
97.06543	2.1
99.04460	2.1
101.02411	1.8
105.01861	8.2
105.07051	14.5
107.08612	19.8
108.68910	1.2
109.02887	14.6
109.10155	10.8
111.08087	2.7
115.03930	1.7
117.07019	2.5
119.07787	2.6
119.08598	37.9
121.10153	28.0
123.08031	1.5
123.11717	1.4
125.02386	4.4
127.03928	13.4
131.08582	5.4
133.10144	34.9
135.08061	2.5
135.11688	6.0
137.09651	1.9
143.03432	3.2
143.08571	1.5
145.04987	3.6
145.10112	7.5
147.04434	2.1
147.11696	11.6
149.09628	2.2
149.13300	4.3
157.10155	2.7
159.02931	4.4
159.11746	5.3
160.12482	1.7
161.09540	1.6
161.13329	7.2
161.86139	1.3
173.13333	3.7
175.11256	2.6
175.14841	100.0
177.05508	3.0
177.16394	25.7
177.17813	2.0
185.13374	1.4
187.14847	9.3
189.03958	2.9
189.16386	2.1
193.15910	12.2
195.11642	1.2
203.14349	1.3
205.15912	21.7
217.15974	1.6
231.05028	5.1
247.04437	1.4
283.16934	2.6
301.18015	3.6
387.17807	1.7
397.18497	2.1
405.19275	2.9
423.20215	2.9
441.16769	4.0
441.22119	8.7
455.42090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01870	3.6
57.03421	1.7
61.02907	2.3
65.03899	0.6
68.99780	1.4
69.03430	11.6
69.07050	1.0
70.06567	2.8
70.06916	0.6
70.90794	1.8
71.01344	0.6
71.04987	1.7
73.02911	1.6
79.05470	1.2
81.03420	10.3
81.07059	0.9
83.06114	0.7
85.02905	27.9
85.07185	0.9
85.07661	9.4
87.00826	10.3
91.05478	3.6
93.07032	1.9
95.04956	0.6
95.08617	1.1
97.02897	9.0
99.04451	4.8
105.01873	9.0
105.07027	5.2
107.08604	1.2
109.02883	13.0
109.10155	0.8
112.07629	0.8
115.03825	0.7
117.01836	1.7
117.06979	1.1
119.08605	2.9
121.06512	4.3
122.03849	0.6
127.03921	20.4
129.01833	1.3
131.08606	0.8
133.06477	2.7
133.10100	0.6
135.08023	0.7
135.11671	1.4
142.07799	1.0
143.93402	0.6
145.02777	0.7
145.04971	8.0
145.06462	2.9
145.10051	1.0
146.07248	2.6
147.02879	1.3
147.08058	7.4
147.11673	2.5
157.10144	0.9
159.02904	6.9
160.08839	9.1
163.03894	3.5
173.09616	1.2
175.11183	100.0
175.14702	2.2
176.11523	2.6
189.03954	1.6
193.04950	3.2
193.12263	1.1
199.11197	2.9
205.11705	0.6
213.03880	0.8
217.06120	0.6
217.12198	2.3
231.04964	3.8
241.12224	1.9
246.45244	0.6
249.05777	0.8
252.01503	0.6
263.13318	0.6
265.12180	0.9
283.13269	1.0
289.05420	1.7
355.17038	1.7
397.17932	5.4
399.09216	0.6
423.16183	1.2
441.17334	41.9
442.17612	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1741
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
53.03928	0.8
55.01874	0.7
55.05492	1.0
56.96572	0.6
57.03434	1.0
67.05505	1.1
69.03439	3.0
69.07059	2.4
70.06588	1.0
70.20933	2.0
73.02914	1.8
79.05489	1.2
81.03413	1.3
81.07060	1.4
83.04995	0.8
85.02905	6.5
86.09727	0.5
87.04454	0.8
91.05502	2.8
93.07034	2.1
95.01308	0.9
95.04931	1.0
95.08597	1.5
97.02905	4.0
97.06600	0.7
98.97586	1.2
99.04468	1.0
103.03962	0.8
103.05459	0.5
104.86176	0.5
105.07029	3.2
107.08597	2.1
109.02870	1.1
109.10133	0.7
111.08139	0.5
111.11742	0.8
113.02349	0.8
115.03912	1.2
116.98640	0.7
117.07034	0.8
119.01905	1.6
121.10157	0.8
124.07622	1.5
126.09155	2.5
127.03898	2.4
129.07024	0.7
129.12715	2.2
130.07768	1.0
131.08572	3.6
131.10637	1.3
133.04938	1.4
133.06531	3.6
133.10144	1.0
135.11668	1.4
138.09142	4.9
141.01830	1.2
142.08635	3.2
143.01945	0.8
145.02863	1.3
145.04982	1.2
145.10136	9.3
147.04384	1.7
147.11612	0.6
154.08646	2.7
161.02956	1.0
161.06029	2.9
173.09608	5.7
173.15497	0.5
175.11198	2.4
177.05473	2.5
179.03342	1.1
187.00888	1.2
187.79028	0.6
191.10742	1.3
193.04971	5.6
193.08594	2.2
205.08601	1.0
219.01923	0.8
229.01888	0.9
237.02821	1.2
245.06436	0.9
265.14362	3.9
271.04254	0.8
279.17062	2.2
288.12262	0.9
289.05383	4.3
309.07010	0.7
327.07578	0.8
355.17285	1.9
397.18356	4.9
423.16364	1.3
441.17331	100.0
442.17688	3.8
459.66522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.05505	1.6
56.96524	0.6
57.03432	0.6
67.05508	2.0
67.69653	0.6
69.03416	2.1
69.07056	1.5
71.04978	1.1
71.58504	0.9
79.05492	1.1
81.03419	32.1
81.07059	2.8
83.04968	3.4
85.02892	2.8
91.05476	3.5
93.07039	2.0
95.04972	0.8
95.08614	2.9
97.02900	2.2
105.07021	4.2
107.08596	3.7
109.02881	100.0
109.06494	1.1
109.10170	4.6
111.04432	4.0
119.08578	2.6
121.06496	0.9
121.10171	1.5
123.04433	1.7
123.08060	1.1
123.11761	1.0
127.03933	5.9
131.08571	1.6
133.06490	2.4
133.10127	2.7
135.08081	1.1
135.11725	0.9
137.09650	0.9
140.55704	0.7
143.08607	1.0
145.10085	1.1
147.04388	3.2
147.07996	1.3
151.07561	0.7
157.10121	1.0
159.11685	0.7
161.09581	1.5
161.73779	0.6
165.09102	1.8
167.06960	0.8
169.10118	0.9
175.07607	0.7
175.14789	1.6
177.05510	0.9
183.11703	0.7
185.09616	1.0
187.14877	0.8
189.09109	0.8
189.16428	0.9
193.12164	0.8
193.15904	1.3
199.11246	1.4
217.12251	1.3
225.11194	1.2
227.05350	0.7
263.09183	0.8
287.09180	1.4
305.10214	1.5
313.18097	0.9
315.19589	1.6
338.82138	0.6
349.10815	1.3
355.17264	4.2
358.76340	0.7
379.17316	0.8
381.13550	0.9
397.18347	23.0
398.18872	1.3
403.05212	0.8
423.21762	1.1
441.17337	78.4
441.22626	4.0
442.17636	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	441.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01860	1.9
55.05484	1.1
57.03436	1.7
61.02915	1.8
64.74624	0.8
67.05485	1.2
67.49331	0.8
68.99809	0.9
69.03432	7.8
70.06577	2.3
71.04975	3.2
71.59175	1.2
73.02907	1.7
79.05472	0.9
81.03042	0.8
81.03423	7.5
81.07018	1.1
83.04977	1.8
83.08619	1.5
85.02422	1.3
85.02905	17.6
86.09694	1.2
87.00839	5.6
88.55383	0.7
91.05461	1.1
92.78578	0.7
93.07034	1.8
93.85617	0.8
95.05010	0.8
97.02898	5.4
98.73412	0.7
99.04453	3.5
105.01855	6.4
105.07011	5.6
107.08608	1.0
107.58481	0.8
109.02886	10.1
117.01807	1.1
119.08565	3.4
121.06485	5.6
123.04418	1.0
127.03918	14.2
128.27039	0.9
129.07039	1.0
131.04881	1.3
133.06503	3.1
135.04457	1.1
135.08078	0.9
135.11688	1.1
142.07816	1.1
145.05031	4.6
145.06470	2.6
146.07269	4.6
147.02916	1.1
147.04402	1.1
147.08043	6.8
147.11702	1.6
157.10063	1.4
159.02916	4.6
160.08838	9.1
161.02998	1.2
163.03886	2.1
167.07005	0.9
169.61220	0.9
173.09720	0.8
175.11186	100.0
176.11578	1.6
177.05363	0.9
179.03400	15.4
184.87679	0.7
193.04993	3.2
193.12219	4.1
193.68982	0.8
199.11163	1.0
203.05316	2.1
227.05165	0.8
231.04985	2.9
245.06337	5.9
271.03998	0.9
287.03674	4.0
289.05304	76.3
290.05527	1.0
355.16992	0.9
397.18353	6.7
441.17303	77.4
442.17603	2.2
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
66.77405	0.3
70.06582	0.3
70.22849	0.3
71.18163	0.7
81.07063	0.4
95.82767	0.3
103.43061	0.3
109.02870	0.3
109.10162	0.4
145.66844	0.3
163.03961	0.7
172.95122	0.4
182.08067	0.4
189.69878	0.3
193.12126	1.6
194.48418	0.3
210.27666	0.3
221.05177	0.4
227.05269	1.7
237.76981	0.3
337.16232	0.8
355.17236	6.7
358.93387	0.4
373.17209	0.7
379.17236	1.1
397.18323	21.2
398.18613	0.6
423.16336	0.7
441.17313	100.0
442.17639	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03944	5.4
55.01883	0.4
55.05506	1.9
59.05023	0.4
67.05503	1.8
69.03429	1.9
69.07067	1.2
70.06577	0.4
71.04984	1.2
71.58982	0.5
71.59357	0.4
76.82251	0.4
79.03387	0.4
79.05494	1.5
81.03421	30.5
81.07067	2.2
82.55501	0.4
83.04977	3.2
84.08134	0.4
85.02908	1.4
87.05145	0.4
91.05482	2.4
93.07044	2.7
95.04987	0.9
95.08624	3.0
97.02890	1.6
97.06522	0.8
99.04451	0.5
105.07033	3.5
107.04958	0.5
107.08592	3.9
109.02882	100.0
109.06483	0.9
109.10161	3.7
110.03187	0.4
111.04450	5.2
117.07053	0.6
119.04929	0.5
119.08579	2.4
121.02976	0.4
121.06523	0.5
121.10162	1.9
123.04408	1.0
123.08077	1.1
123.11763	0.7
127.03931	4.2
131.08580	1.1
133.06509	2.3
133.10107	2.1
135.08046	1.1
135.11687	1.2
137.06017	0.6
143.08559	0.7
145.02931	0.9
145.06552	0.6
145.10114	1.0
147.04398	1.3
147.08035	1.0
147.11703	1.2
149.05974	0.5
149.09645	0.9
149.13272	0.5
151.07605	0.9
157.10159	1.4
159.11722	0.9
161.09663	1.5
161.13263	0.5
163.03908	0.4
163.11189	0.5
165.09076	0.7
169.10175	0.5
171.11668	0.7
173.09660	0.4
175.07521	0.5
175.11179	0.9
175.14830	0.7
177.05511	1.0
179.10643	0.5
181.04831	0.4
185.04260	0.5
185.09689	0.8
187.14851	0.7
189.09186	0.9
189.16325	0.4
191.14290	0.5
193.01483	0.4
193.12105	1.1
199.11237	1.1
201.16408	0.4
203.10782	0.5
207.10118	0.6
209.08093	0.5
213.03996	0.5
217.12268	0.9
221.08145	0.6
225.11223	0.5
227.05309	0.5
233.15193	0.4
241.08569	0.4
259.09634	0.4
263.09201	0.5
287.09238	1.1
305.10339	0.8
313.17868	0.7
315.19611	1.3
328.97556	0.4
331.19138	0.8
349.10751	0.5
355.17322	5.6
357.53983	0.4
379.17288	0.5
381.20349	0.4
395.33084	0.8
397.18326	26.2
398.18692	0.7
423.21738	1.0
423.32770	0.4
441.17352	91.5
441.22537	3.9
442.17581	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	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49825	0.5
69.67847	0.5
71.04444	1.4
72.66941	0.5
73.35430	0.5
80.13257	0.5
81.07054	0.4
88.95980	0.5
93.07030	1.0
93.18650	0.5
107.08629	0.7
135.11684	0.6
185.04161	1.0
193.12012	2.9
201.25580	0.5
203.05298	0.7
223.70273	0.7
245.06340	3.7
248.26822	0.6
289.05264	6.8
355.17294	11.2
360.82916	0.6
397.18338	29.6
398.18707	1.0
441.17340	100.0
442.17685	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
52.28964	0.3
53.03923	0.4
54.46774	0.3
56.49926	0.3
63.61865	0.3
65.62778	0.3
70.58814	1.1
80.18578	0.3
81.03426	1.8
85.02895	0.5
93.07048	0.4
98.20838	0.4
99.04421	0.4
107.08562	0.8
109.02869	6.3
119.01933	0.6
119.08591	0.3
137.05943	0.4
137.96136	0.3
151.93491	0.4
161.03036	0.4
163.91382	0.4
173.03043	0.5
193.12047	1.1
221.05107	0.4
227.05336	0.5
337.16171	0.5
349.10672	0.5
355.17163	4.8
368.03769	0.3
379.17221	1.0
397.18317	30.3
398.18637	1.1
441.17316	100.0
442.17615	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	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01859	0.6
55.05495	0.9
57.49847	0.6
67.05502	1.3
69.03425	1.0
69.07066	1.4
69.97692	1.8
69.98112	1.8
70.06593	4.1
72.08151	1.6
79.05492	1.2
79.85702	0.5
81.03422	1.6
81.07063	8.9
83.04983	1.2
84.04467	0.9
85.02899	1.7
86.09715	6.3
91.05493	1.7
93.07041	2.8
95.08601	4.8
97.02885	0.7
107.08593	1.9
109.02888	3.4
109.10126	1.3
111.08108	0.9
111.72505	0.7
116.07083	1.4
119.01910	0.8
120.08057	0.7
122.20621	0.6
127.00043	1.0
127.03934	1.4
135.11687	0.8
137.13210	1.6
145.10062	0.7
147.04350	0.6
161.02899	1.8
172.95207	1.5
175.11180	1.7
185.04355	0.6
185.16620	0.7
187.00967	0.8
193.12076	2.1
199.18008	0.7
213.15967	1.4
214.96478	0.7
227.05353	0.9
227.17442	1.1
243.04802	1.7
245.06372	1.9
261.12598	1.4
267.12756	0.7
271.04187	0.8
287.03732	17.3
289.05307	18.8
302.13470	0.8
309.07571	0.8
337.16290	2.0
338.54425	0.6
343.17026	2.2
355.17389	1.2
387.17847	0.7
397.18335	10.4
423.16327	1.8
424.88809	0.7
441.17325	100.0
442.17535	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
57.03429	0.4
65.25779	0.4
68.77296	0.4
69.03413	0.5
69.58882	3.3
70.06601	0.6
71.04991	0.4
79.05478	0.9
81.03397	1.3
81.07057	1.4
83.79375	0.4
85.02910	1.1
85.06537	0.8
86.16319	0.4
91.05482	0.9
93.07037	1.5
95.08596	0.7
97.02885	0.9
99.04432	0.6
105.07031	1.0
107.08591	1.1
109.02895	3.2
111.04471	0.4
117.03348	0.5
119.01947	0.7
119.08556	0.6
127.03906	1.6
133.10115	0.6
135.08035	0.7
135.11682	0.8
145.02823	1.1
145.10120	0.6
147.08115	0.5
147.11623	0.6
156.13864	0.5
163.03908	0.5
175.04633	0.5
177.05441	1.8
184.13356	0.5
185.04303	0.7
193.04959	0.8
193.12106	1.0
203.05296	1.1
221.05022	0.5
222.04619	0.5
227.05284	0.8
243.04781	1.0
245.06331	1.4
253.13174	0.5
261.14902	0.5
265.12814	0.5
271.04169	0.7
287.03717	8.5
289.05301	11.1
355.17279	2.4
373.17233	1.1
379.17331	1.3
397.18356	14.5
398.18448	0.6
423.16263	4.6
426.86823	0.6
441.17328	100.0
442.17648	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1527
Annotation	Pharacine
Peak:m/z	Relative Intensity
51.45995	0.7
53.03951	6.9
55.05503	1.6
56.96555	1.9
67.05502	1.8
68.10620	1.0
69.03423	1.2
70.23028	2.0
70.23440	2.4
73.02934	1.1
79.05483	1.2
81.03419	33.9
81.07041	4.2
83.04956	0.9
84.96063	1.2
85.02917	2.5
86.00811	0.8
91.05490	1.3
93.04927	0.8
93.07043	2.5
95.04961	1.3
95.08604	3.4
97.02881	1.8
98.97590	12.0
105.07043	1.8
107.08588	4.3
109.02879	100.0
109.06465	0.9
109.10181	3.3
110.97606	2.1
111.04432	5.3
112.99117	1.1
116.98624	8.1
119.08566	3.5
120.44507	0.8
121.06534	0.8
121.10153	2.5
123.08032	1.2
127.03958	2.1
128.98592	1.0
131.00182	2.6
133.06502	1.8
133.10161	3.1
134.99655	1.9
135.08051	1.2
135.11684	1.0
143.08580	1.6
145.10133	1.0
147.08022	1.0
147.11702	1.0
149.01242	1.6
149.09593	1.2
158.99673	3.9
161.09659	1.6
163.03917	2.7
163.14793	1.5
165.09058	1.5
169.10194	1.0
173.01227	2.7
177.00726	5.6
177.16360	0.9
189.16388	0.9
191.02269	2.7
199.63103	0.9
203.18002	1.8
217.12315	0.9
219.01933	1.9
225.11211	0.9
237.02931	2.6
244.99706	1.3
265.81836	0.9
266.59570	0.8
287.03912	1.0
303.01334	1.4
355.14218	6.8
366.60941	0.9
373.15411	7.4
377.31470	1.0
395.32986	2.5
397.15424	6.7
409.58136	1.1
415.16531	1.4
433.32312	0.9
441.15213	20.9
441.22736	1.6
441.33331	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07485	1.4
56.96560	6.7
57.89267	1.4
67.05485	1.6
69.03407	3.9
69.07040	1.5
70.06578	5.0
71.04977	1.5
71.58803	1.9
76.94877	1.4
81.03407	2.0
81.07056	1.8
83.04992	2.6
84.04483	1.5
84.96006	1.6
85.02888	6.0
91.05470	6.0
95.04936	2.3
97.02906	2.8
97.10168	2.0
97.96809	1.9
98.97581	16.4
107.04977	1.6
110.97588	3.4
115.11147	1.8
115.97858	1.6
116.98608	13.3
119.04949	1.3
127.03889	2.1
128.98628	7.4
134.99667	6.4
143.00186	2.1
146.99600	6.4
147.04375	5.6
147.06723	1.4
149.01222	1.7
152.98418	4.6
158.99585	3.2
161.01236	4.8
162.99094	1.5
170.99506	8.8
175.14651	1.7
177.00705	7.5
189.00679	3.1
191.10600	1.5
193.05009	3.2
207.03255	5.3
213.00482	2.3
219.01778	9.9
225.04369	5.5
231.01581	1.8
237.02762	18.1
239.03734	1.7
255.03699	1.7
297.06314	5.5
309.06448	9.0
327.07480	30.8
350.08969	1.6
441.11163	100.0
442.10922	3.0
442.95560	1.7
448.85452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01566	0.7
53.03939	7.5
55.05506	1.4
56.96560	1.0
67.05492	2.3
69.03419	1.4
69.07055	0.7
71.04992	0.8
71.39481	1.0
74.04180	0.7
76.38850	0.6
79.05484	2.0
81.03417	29.9
81.07059	4.2
83.04964	1.1
84.96024	0.8
85.02903	1.7
91.05489	2.5
93.07041	1.9
95.04946	1.1
95.08607	5.5
97.02902	1.2
98.97584	8.0
105.07025	3.0
107.08599	4.4
109.02878	100.0
109.10136	4.7
110.97552	1.0
111.04430	4.7
112.99136	1.0
116.98621	6.0
119.08591	2.6
121.06505	1.1
121.10141	1.9
123.04433	0.8
123.08047	1.6
123.96291	0.7
127.03898	1.7
128.98586	1.0
131.00174	3.0
131.08589	1.4
133.06512	1.8
133.10121	2.3
134.99678	1.9
135.08066	1.5
145.10089	1.1
147.11641	1.6
149.01227	2.6
149.09628	1.1
149.13313	1.4
157.10085	1.1
158.99675	2.4
161.09641	1.6
163.14861	0.7
165.09113	1.3
173.01228	1.8
175.14842	0.8
177.00728	3.1
177.16373	0.8
181.45210	0.6
187.14888	1.4
189.16466	1.4
191.02281	2.1
191.14296	2.5
199.11198	0.9
201.00778	1.4
203.17976	1.8
207.10178	1.0
217.12233	1.1
219.01761	1.3
237.02858	2.9
244.99864	0.9
253.11070	0.9
276.91061	0.8
296.12671	0.6
349.10693	1.0
355.14279	5.1
373.15335	4.9
395.21796	0.8
395.33072	3.7
397.15204	3.8
415.16391	1.2
423.21097	0.9
441.15204	11.5
441.22610	1.3
441.33585	2.8
457.18384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01566	0.7
53.03939	7.5
55.05506	1.4
56.96560	1.0
67.05492	2.3
69.03419	1.4
69.07055	0.7
71.04992	0.8
71.39481	1.0
74.04180	0.7
76.38850	0.6
79.05484	2.0
81.03417	29.9
81.07059	4.2
83.04964	1.1
84.96024	0.8
85.02903	1.7
91.05489	2.5
93.07041	1.9
95.04946	1.1
95.08607	5.5
97.02902	1.2
98.97584	8.0
105.07025	3.0
107.08599	4.4
109.02878	100.0
109.10136	4.7
110.97552	1.0
111.04430	4.7
112.99136	1.0
116.98621	6.0
119.08591	2.6
121.06505	1.1
121.10141	1.9
123.04433	0.8
123.08047	1.6
123.96291	0.7
127.03898	1.7
128.98586	1.0
131.00174	3.0
131.08589	1.4
133.06512	1.8
133.10121	2.3
134.99678	1.9
135.08066	1.5
145.10089	1.1
147.11641	1.6
149.01227	2.6
149.09628	1.1
149.13313	1.4
157.10085	1.1
158.99675	2.4
161.09641	1.6
163.14861	0.7
165.09113	1.3
173.01228	1.8
175.14842	0.8
177.00728	3.1
177.16373	0.8
181.45210	0.6
187.14888	1.4
189.16466	1.4
191.02281	2.1
191.14296	2.5
199.11198	0.9
201.00778	1.4
203.17976	1.8
207.10178	1.0
217.12233	1.1
219.01761	1.3
237.02858	2.9
244.99864	0.9
253.11070	0.9
276.91061	0.8
296.12671	0.6
349.10693	1.0
355.14279	5.1
373.15335	4.9
395.21796	0.8
395.33072	3.7
397.15204	3.8
415.16391	1.2
423.21097	0.9
441.15204	11.5
441.22610	1.3
441.33585	2.8
457.18384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.6
57.03418	3.6
57.07074	17.2
62.06091	23.3
67.05499	5.0
69.07055	3.6
71.08624	13.0
76.88271	1.6
81.07044	8.3
83.08600	4.7
85.10169	7.9
93.07043	2.4
95.08613	9.1
98.98434	4.3
105.07041	3.3
107.08566	2.7
108.33192	2.0
109.10142	5.4
133.10057	2.1
134.50975	1.9
136.74458	1.8
140.03406	3.7
145.80872	1.8
155.01030	4.6
216.06377	2.0
225.22073	2.8
268.26324	11.3
277.13745	3.5
279.13324	2.5
299.25806	100.0
300.26178	2.2
306.24991	2.9
330.44089	2.8
379.22583	8.0
422.26431	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	441.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57309	1.2
54.57876	1.3
56.96561	14.7
69.79787	10.3
83.06753	1.3
84.96034	8.0
85.02916	1.8
89.03920	2.2
98.21458	1.7
98.97580	82.8
102.97032	1.8
107.04925	1.5
110.97562	23.3
112.28424	1.6
114.89342	2.7
116.98618	49.7
119.01803	1.7
128.98605	40.0
131.00183	3.3
133.38127	1.4
134.99666	18.5
135.04381	3.2
140.98586	7.6
143.00153	11.9
143.01915	1.5
145.01828	1.9
145.02881	2.2
146.99663	18.7
149.01266	1.5
152.00258	2.1
152.75008	1.7
152.98613	4.0
156.04248	2.8
158.01218	2.2
158.99646	38.3
161.01244	17.5
161.02727	2.2
161.02946	2.0
163.03909	24.4
165.00751	3.2
170.99651	27.4
171.01057	2.3
173.01303	1.9
173.02969	1.6
177.00706	47.5
179.02312	2.1
182.99599	13.8
185.03015	1.6
189.00719	42.6
191.02383	2.8
195.01839	5.1
201.00694	61.5
201.02582	3.0
207.01817	7.4
212.02386	2.2
213.00763	4.2
219.01761	64.4
224.02464	1.9
231.01662	8.1
237.02817	29.5
242.03468	2.6
243.01785	22.7
243.04121	1.2
245.05110	6.8
249.02821	3.3
251.90300	1.7
255.04076	2.3
257.81607	1.5
261.02823	100.0
273.02878	6.6
275.06046	2.3
279.03867	78.8
291.03860	27.8
297.04974	5.4
302.05554	4.2
305.07101	2.0
309.05075	4.6
321.04922	54.4
333.04828	7.1
351.05994	10.7
381.07294	6.6
399.07996	8.7
441.09207	46.8
441.15155	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
56.96547	0.5
57.02684	0.3
57.03429	0.5
58.06612	1.4
58.26160	0.3
65.41235	0.3
67.05513	0.5
69.03416	0.8
69.07068	0.7
70.06580	0.8
71.59107	0.5
79.05485	0.7
81.07050	0.9
82.06554	0.3
84.08139	0.7
85.02916	1.6
85.06494	0.3
86.09703	0.5
91.05477	1.4
93.07035	0.3
94.04176	1.2
95.04929	0.3
95.08627	0.6
96.08130	0.4
97.02882	0.9
99.04465	0.3
104.47997	0.3
107.04951	0.4
107.08597	0.4
109.02885	0.5
119.04923	1.0
119.08599	0.4
120.08121	0.5
121.02895	0.3
122.03654	3.0
123.08030	0.3
124.07594	7.5
127.03889	0.8
128.07130	0.3
131.08543	0.4
133.02849	1.8
136.07597	0.5
137.05980	100.0
138.06277	1.6
142.08644	8.2
144.10222	0.6
145.02869	0.7
145.10117	0.5
147.04411	2.9
177.05484	0.8
178.02644	0.9
184.07306	0.4
193.03275	0.6
193.04979	11.9
193.06735	0.6
199.13304	0.7
225.33252	0.3
260.12875	4.1
278.13879	67.2
279.14178	1.8
288.14319	0.4
333.43546	0.3
436.79327	0.3
440.13126	0.6
440.19061	3.0
440.24063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.05508	9.4
57.07079	2.5
65.03943	1.1
67.05508	15.1
69.07069	15.3
69.95910	5.0
71.08621	1.2
79.05489	9.4
81.03421	2.2
81.06178	1.1
81.07059	22.7
83.08636	8.8
85.96668	1.1
91.05488	7.4
93.07045	21.0
95.04979	2.5
95.08609	47.6
97.06539	1.2
97.10171	4.0
105.07028	21.8
105.07676	1.6
107.08598	33.6
107.09293	2.0
109.10163	33.6
111.08098	1.5
111.11730	1.9
117.07122	1.7
119.08582	40.4
121.10154	30.9
123.11686	12.2
125.06046	1.2
131.08583	3.5
133.09120	1.7
133.10135	32.9
135.11693	23.1
135.12694	1.3
136.12224	1.2
137.13254	5.5
139.07549	1.0
145.10117	5.6
147.11694	30.2
149.09666	1.3
149.13264	20.0
149.14371	1.8
151.07669	1.2
153.09132	5.3
159.11705	4.7
161.13280	17.1
163.14835	9.1
167.10703	4.8
173.13300	4.1
174.14009	1.5
175.11221	1.1
175.14830	11.7
177.16428	5.7
179.10710	2.2
187.14850	6.2
189.16373	43.0
191.17946	68.6
193.12196	2.1
199.14882	1.4
201.16382	13.0
203.17957	100.0
205.19518	18.2
207.13765	1.2
207.17464	2.0
208.65559	1.0
211.13354	1.2
215.18011	5.5
217.15945	1.9
217.19531	10.9
221.15462	1.5
221.19089	3.5
227.17924	1.3
229.19604	1.4
231.17610	2.5
231.21153	2.0
235.16951	6.5
241.19553	1.2
243.21091	1.9
245.22644	2.4
247.16949	5.7
249.18480	20.4
259.09714	1.3
261.18582	3.2
269.22739	1.6
393.35104	6.5
421.34702	1.8
439.26852	5.2
439.35852	34.7
440.36438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03942	2.0
53.69377	1.7
55.05515	9.2
57.07075	2.7
59.42990	1.9
65.61869	1.8
67.05499	19.0
69.07073	20.1
70.20602	1.8
71.61493	3.6
79.05498	12.9
81.07058	36.8
83.04959	2.1
83.08613	8.6
91.05479	16.8
93.07053	34.5
95.04981	3.7
95.08610	64.3
97.06526	2.1
97.10174	5.3
105.07031	46.0
107.08605	51.7
109.10157	47.3
111.08093	4.4
111.11737	2.2
117.07047	4.7
119.08581	57.2
121.10149	39.4
121.11027	2.7
123.08088	6.6
123.11703	21.2
125.09682	2.2
131.08568	17.5
133.09193	1.4
133.10135	43.6
135.08070	3.2
135.11690	31.2
137.13271	7.2
142.07756	2.5
143.08589	7.9
145.10124	25.5
147.11703	29.5
149.13275	17.0
151.11232	3.4
156.09419	2.5
157.10101	16.0
159.11670	19.9
161.09610	3.2
161.13268	27.4
163.11192	18.6
163.14810	21.0
165.12827	2.2
169.10146	4.8
171.11749	9.4
173.13280	19.7
175.11226	2.9
175.14854	30.5
177.12794	5.1
177.16418	12.2
179.14323	6.9
180.71086	1.9
183.11787	4.2
185.13266	4.3
187.14845	28.5
189.12724	4.4
189.16397	38.4
191.14296	6.0
191.17978	21.6
197.13203	2.9
199.14848	10.9
201.16380	19.2
203.14381	6.5
203.17984	45.7
205.15898	6.1
205.19614	2.6
207.17403	17.1
209.13324	2.7
211.14888	3.9
213.16353	17.8
215.17998	12.8
217.15932	22.8
217.19553	8.6
219.17578	3.4
219.20943	2.2
221.19006	5.9
227.17905	4.5
229.15919	5.5
229.19533	5.7
231.17427	20.1
231.21078	4.3
235.86249	2.1
241.19467	3.9
243.21130	3.5
245.22876	2.2
255.21065	3.3
257.22891	3.0
259.20679	2.2
262.69983	2.0
267.21179	2.4
269.22650	2.5
271.20444	2.6
271.24225	4.8
279.21042	2.5
339.19562	3.4
393.35269	8.6
395.33170	4.0
397.31039	6.2
403.33676	5.8
411.36478	9.3
421.34686	53.0
439.24875	26.3
439.35800	100.0
440.24948	2.0
440.35956	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03933	2.5
55.05512	14.0
57.03434	2.0
57.07071	4.9
60.01957	1.5
66.81162	1.8
67.05503	28.7
67.55011	1.6
69.07064	22.5
71.19296	2.7
71.19615	2.2
74.67116	1.7
78.39024	1.6
79.05492	16.3
81.07059	49.8
83.08614	8.1
91.05486	24.1
92.66546	2.0
93.07043	39.9
95.08604	87.5
97.06511	2.4
97.10177	6.4
105.07029	49.5
107.08592	61.2
109.06516	4.3
109.09458	3.3
109.10159	40.9
111.08086	18.0
117.06974	8.7
119.08575	53.2
121.10140	41.1
123.08064	5.1
123.11709	13.3
125.09633	2.1
129.07002	5.6
131.08565	23.4
133.10143	37.9
135.11699	20.4
137.13266	3.1
139.11182	1.7
142.07794	2.6
143.08551	11.0
144.09308	2.3
145.10124	39.6
147.11687	32.7
149.09586	1.9
149.13261	24.5
151.11235	3.0
155.08574	3.3
157.10109	15.3
158.10869	2.2
159.11691	43.7
161.13258	31.8
163.11191	2.0
163.14845	10.7
169.10126	6.5
171.11676	13.3
172.12482	2.4
173.01616	2.0
173.13231	23.6
175.14827	20.8
177.12779	4.1
177.16368	12.2
179.14317	6.4
183.11681	6.1
185.13287	6.9
186.14066	3.0
187.14833	26.8
189.16399	24.8
191.14400	3.6
191.17966	13.6
193.15868	4.8
197.13295	5.5
199.14847	11.0
201.16374	55.3
203.17944	23.3
205.15938	10.2
205.19608	3.4
207.17477	12.4
211.14859	5.9
213.16327	12.0
215.17964	44.8
217.15927	5.8
217.19499	9.0
219.17410	19.7
221.18976	3.1
223.14760	2.7
225.16499	5.3
227.17934	8.6
229.19485	2.6
231.17451	7.0
231.21140	2.5
233.18935	11.7
235.17064	2.8
239.18025	5.3
241.19522	6.6
243.21114	2.9
245.18980	2.7
253.19604	5.9
255.21033	5.3
259.20752	2.8
267.21094	8.3
269.22681	5.4
271.20712	2.9
273.22311	2.2
281.22699	2.3
283.24179	3.0
285.22171	6.4
289.21793	3.3
297.25534	2.0
311.23642	2.0
321.25732	2.3
329.24673	2.1
358.16733	2.7
363.30496	5.1
375.49332	2.4
381.31387	2.9
403.33679	9.0
409.34680	7.2
421.34656	44.7
421.40164	2.4
439.35751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05501	18.9
57.07066	7.3
67.05500	41.4
69.07064	26.9
71.08629	5.2
71.59345	6.7
75.67168	4.2
79.05494	23.0
81.07053	60.6
83.08607	12.4
83.46034	4.1
91.05486	23.1
93.07040	45.8
95.04973	7.3
95.08601	85.7
97.06509	7.4
97.10166	10.7
105.07030	40.1
107.08595	59.1
109.02799	5.5
109.06522	6.5
109.10163	46.9
111.08071	16.1
117.06984	8.4
119.08586	40.9
121.06477	7.9
121.10145	41.7
123.08060	4.8
123.11707	16.7
125.09615	8.6
128.06224	4.8
131.08525	19.9
133.10114	33.3
135.08023	10.9
135.11681	23.7
137.13245	7.7
143.08507	14.4
145.10106	31.3
147.11676	20.0
149.13240	18.1
151.11163	6.1
155.08525	5.4
157.10112	16.7
159.11710	27.5
161.13246	19.5
163.14806	9.3
171.11658	11.5
173.13234	15.9
175.14842	13.1
177.12822	5.2
179.14445	4.7
181.52116	4.6
185.13234	6.7
187.14810	15.9
189.16339	17.3
191.17746	10.1
197.13118	6.0
201.16374	17.6
203.17957	12.3
205.15904	9.6
207.17378	7.7
211.14900	5.6
213.16406	8.5
215.17964	8.1
217.15897	6.1
219.17508	9.4
227.17784	6.9
233.18953	12.2
251.17918	4.8
273.22104	4.7
285.22260	5.0
347.26675	4.9
421.29605	19.7
421.34546	31.0
439.19354	6.4
439.26135	7.4
439.36029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	13,28-Epoxy-11-oleanene-3-one
Peak:m/z	Relative Intensity
53.46456	3.4
54.55514	3.4
55.05513	11.3
57.07073	4.6
67.05506	25.3
69.07066	16.8
70.20588	14.1
71.75912	3.5
78.65922	4.0
79.05496	19.5
81.07064	57.0
83.08597	10.1
86.14433	3.2
89.06031	5.0
91.05487	17.6
93.07053	47.0
95.08614	97.8
97.10192	7.2
105.07038	62.6
107.08601	61.1
109.06552	4.2
109.10167	49.5
111.08086	100.0
117.07056	4.1
118.60490	3.6
119.08594	46.4
120.31959	3.3
121.10172	44.9
123.08099	3.6
123.11720	15.0
131.08604	19.1
133.10130	53.5
135.11708	31.0
137.09651	5.2
143.08585	7.9
145.10136	37.7
147.11687	36.8
149.13272	48.8
157.10109	7.7
159.11719	32.9
159.60280	4.4
161.13271	30.9
163.11136	6.1
163.14835	30.9
165.12784	3.9
171.11748	7.9
173.13235	21.3
175.14861	32.3
177.12791	3.9
177.16435	29.5
185.13269	10.4
187.14854	25.8
189.16449	23.3
191.14381	6.0
191.17967	25.4
201.16379	24.7
203.14236	3.6
203.17935	39.2
205.14198	4.2
205.15897	21.5
205.19508	4.0
207.17456	10.3
213.16360	10.0
215.18010	29.4
217.19530	14.7
219.17426	17.9
221.19073	6.7
227.17957	5.5
229.19507	6.7
231.17439	7.9
233.19009	14.4
240.39354	4.3
241.19711	4.4
243.21117	5.8
245.19012	10.5
257.22546	5.6
299.23941	4.6
353.32254	6.6
361.50015	4.8
363.30612	4.6
381.31528	17.2
382.82971	4.4
393.35266	7.8
403.33527	6.8
409.34769	8.2
411.36169	14.8
421.34622	56.6
439.23792	16.9
439.35870	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.3
55.05513	10.2
57.07063	4.1
59.70028	1.2
60.89776	1.1
61.03957	1.3
65.03917	1.9
67.05507	12.4
69.07070	13.1
69.65215	1.2
70.08381	3.7
70.08786	3.1
71.04988	2.6
79.05488	8.0
79.13847	1.1
81.03419	33.1
81.07063	24.4
82.03743	1.5
83.04969	1.7
83.08611	9.3
85.02898	4.9
91.05492	10.2
92.35556	1.3
93.07043	21.8
95.04973	2.1
95.08611	48.8
97.02881	2.0
97.10173	3.5
98.21394	1.6
104.67281	1.2
105.07030	33.9
107.08595	39.3
107.89410	1.3
109.02883	100.0
109.06483	1.8
109.10158	34.6
110.03162	2.3
111.04444	3.2
111.11751	1.4
115.28690	1.2
117.07024	1.4
119.08586	42.1
121.10147	34.1
123.11711	11.2
131.08571	5.4
133.06549	1.7
133.10130	31.3
135.11682	20.2
137.13260	4.2
139.07562	1.5
145.10103	7.6
147.08102	1.8
147.11688	34.5
149.13264	20.4
151.07544	5.4
153.09132	5.1
155.08502	1.5
157.10104	3.7
159.11673	7.2
161.13243	17.2
163.14824	8.7
165.09189	1.9
167.10686	3.9
169.10121	2.7
171.11691	2.2
173.13254	3.8
175.07556	2.4
175.14809	11.2
177.16336	7.4
179.10719	2.5
179.17902	1.8
185.13248	1.4
187.14819	4.8
189.16382	41.7
191.17957	69.5
192.18338	1.9
193.04930	1.8
197.09589	3.6
199.14812	2.7
201.16414	12.1
203.17963	96.5
204.18367	2.4
205.19543	17.9
207.10170	1.7
207.17488	2.2
213.16388	2.1
215.10719	3.2
215.17989	5.5
217.19489	10.0
219.17429	1.7
221.18994	4.4
225.11137	2.2
227.17975	1.6
229.19475	1.6
231.17432	2.0
231.21153	3.7
233.19095	1.5
235.16940	4.4
245.22638	2.4
247.16914	6.1
249.18515	16.4
259.09583	1.4
261.18527	3.4
315.22946	1.9
355.25998	1.4
355.50912	1.6
365.67221	1.3
379.14984	2.0
393.35117	5.3
421.34448	1.8
439.17245	61.9
439.35886	30.8
440.17432	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	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.05509	10.5
57.03407	1.0
57.07069	3.4
57.07288	0.7
65.03909	0.9
67.05503	12.5
69.07064	14.3
70.80796	1.9
71.04962	2.4
71.08595	1.1
75.07296	0.5
77.03922	0.8
79.05489	8.1
81.03400	1.6
81.07053	25.6
82.07364	0.7
83.04951	1.3
83.08617	8.0
85.02896	5.6
91.05471	7.9
93.07043	21.0
95.04934	1.8
95.08607	51.7
97.02840	1.1
97.10165	5.1
105.06306	0.7
105.07029	22.2
107.08591	36.8
109.02870	3.0
109.06503	0.7
109.10154	35.4
111.04443	1.6
111.08030	1.5
111.11710	1.5
117.07014	1.5
119.08579	42.5
121.06489	1.2
121.10139	30.9
122.10469	0.8
123.08105	0.7
123.11714	12.7
124.11995	0.7
125.05998	0.8
127.03899	1.0
129.05478	1.4
131.08586	4.0
133.10130	36.0
135.07991	0.8
135.10678	1.3
135.11690	24.5
136.93427	0.6
137.13261	4.6
139.07524	1.9
139.11118	0.6
143.08530	1.3
145.10153	6.1
147.07977	1.0
147.11685	34.2
149.09604	1.4
149.13257	19.6
151.07576	0.8
151.14818	1.0
153.09096	5.9
157.10078	1.1
159.11700	4.4
160.12424	1.0
161.09613	0.9
161.13248	18.8
163.14806	10.6
165.09096	1.5
167.10703	4.0
169.40869	0.7
171.11679	1.3
173.13287	4.4
174.14066	1.0
175.11270	0.7
175.14819	12.0
177.16380	7.2
179.10674	1.8
179.17914	1.0
185.13245	2.0
187.14807	5.3
189.16376	48.4
190.16684	1.0
191.17947	82.3
192.18321	1.3
193.12184	0.9
193.15881	0.6
201.16377	13.8
203.17955	100.0
204.18283	2.1
205.19521	22.4
205.21471	1.3
207.17415	2.5
213.16275	1.5
215.17978	4.6
217.16107	1.4
217.19516	11.6
219.17342	0.8
221.15482	1.5
221.19034	5.3
223.16957	0.9
227.17953	1.3
229.19495	1.5
231.17487	3.4
231.21002	3.9
235.16904	7.1
241.19505	1.6
243.21141	1.4
245.22710	3.5
247.16902	5.6
249.18503	24.8
255.20830	0.9
257.22629	1.4
261.18564	3.5
269.22754	1.1
287.20123	0.8
289.21515	1.1
301.21613	1.2
327.04947	1.4
351.30347	0.7
382.09921	0.7
393.35370	6.8
421.34955	0.9
439.13852	6.0
439.35809	37.1
440.14368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.74925	2.8
52.12673	3.8
55.05511	5.6
57.07087	5.5
65.61668	3.2
67.05510	10.5
69.07072	6.7
70.84241	3.0
71.60712	6.5
79.05495	4.9
81.07053	22.5
83.08619	3.4
89.06028	7.4
91.05519	4.6
93.07045	21.6
95.08624	33.0
105.07047	11.8
107.08598	21.5
108.72048	3.0
109.10172	20.5
111.08097	3.8
112.75156	3.1
119.08553	20.1
121.10153	16.9
123.11719	10.2
131.08540	6.6
133.10149	15.9
134.09050	4.5
135.11700	13.4
143.08560	4.5
145.10139	13.9
147.11708	16.4
149.13315	11.2
153.09161	3.3
157.10081	5.3
159.11679	10.4
161.13251	7.1
163.14861	6.7
171.11749	6.3
173.13292	4.3
175.14835	8.2
185.13158	4.1
187.14825	6.3
189.16429	10.0
191.17938	11.1
203.18039	18.3
213.16534	4.8
215.17958	5.0
239.14969	6.9
240.15248	5.8
267.20981	4.1
301.21719	5.6
331.57050	3.3
375.16592	5.0
403.33630	4.2
409.90012	3.5
421.34683	25.5
439.25552	15.9
439.35809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.0
56.96569	1.8
57.07077	3.1
58.47875	1.3
58.51186	1.2
61.02938	1.4
67.05505	13.9
68.87742	1.4
69.07074	15.7
70.47839	1.7
70.48175	4.2
73.02930	2.0
79.05494	8.1
81.03394	1.5
81.07056	28.1
83.04982	2.5
83.08621	9.9
83.57232	1.5
85.02921	2.6
91.05478	9.4
93.07045	25.9
95.04994	1.8
95.08613	47.9
97.02923	1.9
97.10178	4.0
98.97596	1.5
105.07043	21.6
107.08601	40.8
107.09304	2.8
109.02896	3.0
109.06542	1.7
109.10157	34.3
111.08164	1.6
111.11761	1.6
116.98638	1.4
119.01702	2.0
119.08578	43.6
121.10144	33.3
123.11716	12.8
125.06011	2.3
125.09592	1.7
128.75211	1.5
129.07053	2.1
131.08597	5.4
133.10139	31.2
135.08118	1.6
135.11697	24.1
137.02719	2.1
137.13274	7.6
143.08476	2.9
145.10091	8.6
147.11699	30.4
149.13257	14.0
151.14859	1.6
153.09149	5.1
156.03624	1.6
157.10164	4.1
159.11758	6.3
161.13280	15.4
163.14835	9.1
167.10748	4.6
173.13345	4.6
175.14850	9.6
177.00667	1.8
177.16348	7.9
187.14836	4.8
189.12811	2.0
189.16393	43.5
191.16209	3.5
191.17955	72.2
191.62050	1.4
199.14835	2.1
201.16385	14.3
203.17966	100.0
205.19507	18.9
207.17448	3.6
208.99481	1.7
213.16408	2.0
215.17972	5.8
217.19478	13.4
221.19064	4.7
223.14696	1.8
229.19409	1.7
231.17471	2.0
231.21143	2.4
235.16988	7.6
245.22530	3.2
247.08844	1.5
247.16988	6.6
249.18536	19.0
261.18561	2.8
269.22696	2.2
311.91623	1.7
315.23337	2.2
358.16458	4.2
393.35144	5.0
397.89316	1.5
421.34671	2.8
439.18906	13.8
439.35846	37.7
439.69321	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	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.3
57.07067	8.3
67.05487	10.7
69.07076	24.8
70.55545	3.1
71.08640	4.2
71.32404	8.1
75.31401	3.1
79.05486	12.3
80.17108	3.3
81.07061	28.2
82.09626	2.7
83.08624	21.9
89.97195	3.2
91.04121	2.8
91.05468	9.6
91.54343	2.8
93.07052	29.6
93.88896	3.1
95.08604	55.5
97.10171	6.5
98.98487	5.0
105.07023	21.9
107.08595	37.2
109.10168	41.6
119.08582	45.5
121.10155	38.4
123.11733	17.6
129.29425	3.3
132.37274	3.7
133.10129	37.5
135.08134	3.7
135.11682	26.6
137.13220	9.7
145.10107	9.3
147.11729	30.9
149.13220	25.0
153.09091	7.6
154.53305	3.4
159.11697	10.2
161.13228	17.3
163.14819	13.6
165.09096	4.2
167.10773	4.9
173.13268	7.1
175.14824	15.0
177.16379	14.3
183.04166	5.6
185.13174	3.4
187.14828	6.3
189.16374	59.8
189.17905	5.4
191.17960	83.8
192.96982	3.2
201.16397	17.9
203.17950	100.0
205.19475	18.8
215.17938	4.6
217.19547	17.4
219.21281	3.3
221.19005	3.3
231.21228	4.3
235.17047	8.3
247.17102	5.8
249.18506	24.3
261.18570	5.2
274.15753	3.4
294.07568	3.8
325.75287	3.9
393.35135	12.8
421.34464	5.1
439.24731	26.2
439.35760	84.7
440.36212	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	439.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
55.05510	9.8
57.03426	4.1
57.07073	2.3
67.05500	16.8
67.43378	1.6
69.03426	2.8
69.07061	14.3
70.22887	8.6
71.05000	5.0
73.35265	1.7
79.05495	15.5
80.57174	2.0
81.03420	9.9
81.07061	36.3
83.04971	7.0
83.08627	7.0
85.02912	11.8
91.05477	18.1
93.07049	35.8
95.08607	69.0
97.06525	5.1
97.10180	5.2
99.08076	4.2
105.07034	45.0
107.08591	55.5
109.02883	24.6
109.06547	3.0
109.09434	1.4
109.10154	38.1
111.04420	3.4
111.08073	7.6
117.07001	4.0
119.04909	2.1
119.08591	67.5
121.06490	27.6
121.10149	44.9
123.08062	7.5
123.11691	8.3
127.03948	2.4
129.05472	2.6
129.07014	3.7
131.08568	26.0
133.10138	41.7
135.08051	14.6
135.11673	17.0
137.05969	2.8
137.09653	3.8
137.13286	2.5
139.11153	2.0
140.46695	1.8
143.08589	9.1
144.09399	1.9
145.06529	1.9
145.10114	32.3
147.08063	17.3
147.11697	36.3
148.70296	1.8
149.09628	5.2
149.13266	29.4
153.09154	3.5
155.08591	3.0
156.09344	2.6
157.10120	13.8
159.11708	19.0
160.12119	2.1
161.09637	28.0
161.13252	40.5
163.11160	5.9
163.14833	33.6
165.09213	2.1
169.10136	2.6
169.76485	1.9
170.10925	4.0
171.11684	7.8
172.12500	1.9
173.09599	3.5
173.13251	23.9
175.11186	7.2
175.14812	32.9
177.09081	2.1
177.16373	30.4
179.14319	2.6
183.11710	3.8
185.13271	24.9
186.13731	2.2
187.11263	2.6
187.14822	61.2
189.12769	35.8
189.16380	40.5
191.14288	31.0
191.17953	12.3
193.15845	4.5
197.13219	2.9
199.14746	10.5
201.16383	27.7
203.14326	24.6
203.17961	100.0
204.18260	2.3
205.15846	10.6
205.19521	5.0
207.13780	4.9
211.14876	2.9
213.16298	10.9
215.14354	8.6
215.17992	5.9
217.15863	7.1
219.17441	12.4
221.15494	2.6
227.17929	7.4
229.15852	4.7
229.19481	2.4
231.17444	3.2
235.13240	10.5
235.16951	2.9
239.18044	5.5
241.19560	3.7
243.17448	7.1
247.16986	3.9
249.18549	4.9
251.18230	2.3
257.18933	2.0
259.09561	2.3
259.16925	2.4
273.21732	1.9
285.18369	2.6
299.20135	2.9
325.21637	2.4
375.30423	19.8
393.31549	69.3
394.31699	3.1
395.32944	9.3
411.32446	11.9
421.30960	19.7
439.32043	79.8
440.32382	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	439.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.05500	6.1
57.07063	3.5
59.34461	2.0
67.05506	15.7
69.07074	16.1
70.80597	5.0
79.05494	16.2
81.07058	33.2
83.08610	5.2
85.02895	3.2
87.39701	2.3
91.05485	17.9
93.07043	38.3
95.04983	3.1
95.08608	68.2
97.06496	2.4
97.10187	4.1
105.07034	46.7
107.08604	56.6
109.02863	6.9
109.06528	3.7
109.10166	30.9
111.04412	2.5
111.08106	4.8
117.06991	5.0
119.04926	2.4
119.08585	60.4
121.06504	25.0
121.10147	38.3
123.08025	5.8
123.11722	11.9
129.07034	3.9
131.08580	18.8
133.06453	3.1
133.10120	46.9
135.08060	10.0
135.11719	18.2
137.09610	3.8
137.13283	3.1
143.08571	6.5
145.10115	34.5
147.08055	19.1
147.11688	31.5
149.09619	2.9
149.13257	28.0
152.18491	2.3
153.09157	2.6
156.09305	2.9
157.10147	14.6
159.11717	17.5
161.09633	29.9
161.13260	39.1
163.11172	5.5
163.14818	36.9
169.10208	3.4
170.10857	2.7
171.11696	7.8
173.13298	20.1
175.11192	7.2
175.14842	35.0
177.12650	2.5
177.16389	28.7
183.11671	3.0
185.13286	17.9
187.11224	4.0
187.14844	52.1
188.15126	4.6
189.12764	33.4
189.16359	34.9
190.13303	2.4
191.14310	25.0
191.17921	13.5
197.13286	3.6
199.14819	7.7
201.12537	2.6
201.16377	24.7
203.14404	16.4
203.17964	100.0
204.18361	2.5
205.15877	6.4
205.19487	5.6
207.13750	2.9
213.16385	8.4
215.14256	10.1
215.17981	3.7
217.12169	2.5
217.15796	6.6
217.19540	2.3
219.17451	10.9
219.21002	2.4
225.16452	3.2
227.17961	6.3
229.15833	6.4
229.19321	4.4
231.17438	3.2
235.13287	10.6
235.16896	2.3
235.65294	2.0
239.17975	5.7
241.19437	2.5
243.17487	10.4
245.15321	2.5
245.19008	3.0
247.16841	2.9
249.18454	2.8
253.19499	2.1
264.56876	2.2
274.17044	1.8
299.20123	2.6
310.49219	2.4
375.30432	14.1
393.31531	68.0
394.31995	2.5
395.32916	14.3
411.32645	6.7
421.31046	16.1
422.31839	2.3
422.37506	2.1
439.26382	4.5
439.32010	76.2
440.32605	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
58.56840	0.5
62.45223	0.5
63.63689	0.5
67.05501	1.7
69.07053	1.8
70.06583	1.2
71.33192	0.7
71.33506	0.8
77.31538	0.5
79.05473	0.9
81.07043	2.3
83.04953	0.6
83.08571	0.6
91.05460	1.0
93.07034	2.1
95.08595	3.1
97.10160	0.7
105.07010	3.3
107.08582	2.5
109.10144	1.6
111.04431	0.6
119.08589	1.5
121.10091	0.9
125.00006	0.6
131.08562	1.3
133.10112	1.8
133.77412	0.6
135.08040	0.8
135.11703	0.9
145.10115	1.5
147.11633	0.8
155.08623	0.6
157.10081	1.0
159.11694	2.1
166.46390	0.6
171.11655	1.0
175.14885	0.8
199.14792	0.6
201.16441	0.6
213.16447	0.8
223.02289	0.6
223.15012	0.8
237.16309	0.8
273.40262	0.7
279.64859	0.8
280.14673	0.7
337.17697	3.4
378.20209	0.9
439.24551	100.0
439.36667	3.7
440.25040	3.7
456.87640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	45.8
55.05516	5.9
65.00636	24.9
65.39088	2.7
67.05505	21.1
69.07064	9.8
73.02921	43.0
79.05501	9.0
79.12566	3.0
81.03446	5.6
81.07063	21.9
83.08606	6.4
91.05481	9.7
93.07051	23.6
95.08041	5.1
95.08603	54.5
105.07039	19.4
107.08602	35.1
109.02870	11.9
109.10165	32.4
111.08065	5.9
112.87566	2.9
119.01648	49.5
119.08588	29.8
121.10146	25.5
123.11677	8.7
125.06023	3.4
127.86028	2.6
131.08574	4.6
133.10132	18.7
134.00497	3.3
135.11673	18.0
137.02679	100.0
140.41669	2.9
140.99101	2.7
143.08554	3.3
145.10123	9.6
147.11703	19.9
149.13321	13.6
155.01041	3.4
157.10159	5.8
159.11703	10.0
161.09572	5.8
161.13226	10.9
163.14793	8.9
173.13229	9.6
175.14850	12.3
177.16307	3.9
185.13307	6.2
187.14833	11.6
189.12738	4.5
189.16371	10.4
191.14355	4.0
191.17873	6.4
201.16371	5.5
203.17953	29.8
207.13814	4.1
257.22659	13.6
285.22104	5.5
303.23236	16.5
393.31714	8.5
439.14084	4.3
439.31644	5.5
439.36523	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	439.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.96552	0.8
65.81887	0.6
67.05510	1.6
69.07069	0.9
70.96777	1.7
81.07050	2.2
91.05482	1.9
93.07047	1.5
95.08588	2.4
105.07024	2.4
107.08609	1.8
107.95835	0.7
109.10172	1.1
117.07040	0.9
119.08560	2.3
121.10190	1.7
123.11690	0.8
131.08585	0.8
133.10139	2.4
135.11638	1.0
137.13223	0.8
145.10110	1.4
147.11748	1.3
149.13251	0.8
157.10175	0.7
159.11754	1.1
161.01230	1.3
171.11623	0.9
175.14833	0.8
177.04227	0.6
306.24872	0.8
339.19308	52.0
340.19724	1.6
380.21783	3.3
439.24582	100.0
439.35236	2.4
440.25031	4.4
457.24191	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
56.96541	1.3
57.07053	1.3
62.35822	0.7
67.05503	3.6
69.07054	1.4
69.45313	7.2
71.08606	1.0
79.05486	1.6
80.53606	0.7
81.03405	1.0
81.07051	3.0
86.09715	3.6
91.05465	2.1
93.07027	2.3
93.21280	0.7
95.04953	1.1
95.06126	1.0
95.08591	2.8
97.18570	0.8
98.98451	1.3
104.10704	0.9
105.06988	1.9
107.08600	1.9
109.10144	2.3
119.08571	1.9
121.10149	2.6
123.11732	0.9
125.00005	2.9
125.22160	0.8
130.65688	0.8
131.08557	1.4
133.10057	1.1
135.11722	1.0
139.03668	12.7
147.11703	1.2
151.11182	1.0
157.10152	0.7
161.13260	0.8
163.14856	1.0
184.07314	9.8
187.14879	0.8
191.17819	0.8
278.63947	3.3
279.14059	1.0
285.24127	1.0
323.19794	33.8
324.20209	1.9
341.20847	5.1
364.22385	9.4
375.18567	1.1
439.24557	100.0
440.24786	5.1
460.22720	0.9
464.06091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	1.4
69.07065	0.9
71.57613	1.0
79.05464	0.5
81.07032	1.6
86.09716	0.6
91.05486	0.7
91.11202	0.5
93.07032	0.8
95.08592	1.3
104.44846	0.4
105.07007	0.8
107.08566	0.9
109.10131	0.6
121.10165	0.9
131.08545	0.4
133.10083	0.5
134.58975	0.6
135.25142	0.4
137.71263	0.4
139.03645	7.0
143.42412	0.4
147.11668	0.7
183.15932	0.5
184.07373	0.5
259.56357	0.5
323.19809	22.0
324.20236	0.8
339.19260	4.0
341.20752	3.5
364.22479	3.1
439.24545	100.0
440.25043	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.03448	1.8
57.07081	8.0
60.08140	1.0
65.48092	1.0
66.94281	1.0
67.05499	4.4
69.07065	4.0
71.08621	5.7
71.59496	1.8
79.05471	3.0
81.07051	10.0
83.06126	1.2
83.08654	1.6
85.10181	1.5
86.09703	3.2
91.05470	1.7
93.07043	4.9
95.04985	1.2
95.08594	8.1
97.10170	1.7
98.98466	9.7
105.07022	4.2
107.08602	6.4
109.06502	1.7
109.10148	5.8
119.08608	3.8
120.01842	21.0
121.10148	3.0
123.11730	1.6
125.00012	2.3
131.08556	1.4
133.10126	3.0
135.08099	1.5
135.11745	2.2
136.08696	3.1
137.02335	2.6
143.08594	2.2
145.10168	2.9
146.07048	1.5
147.11710	2.7
151.11160	1.3
155.01045	12.6
157.10121	2.4
159.11681	2.1
173.13351	1.4
182.09239	1.5
184.07330	10.8
187.14832	1.6
197.13182	1.1
197.63940	1.1
211.20644	1.6
219.13628	7.3
230.46507	1.0
243.09840	2.3
285.24289	21.1
315.15576	1.2
316.16446	3.0
339.19321	22.4
339.23334	1.8
421.23395	4.4
421.28943	1.8
421.34589	1.5
439.24585	100.0
440.24786	3.4
457.24380	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94189	0.1
54.23928	0.1
55.44780	0.1
67.05503	0.2
69.07063	0.2
70.48578	0.1
71.13332	0.1
71.60240	0.1
71.60688	0.2
73.86636	0.1
75.09383	0.1
81.07055	0.3
91.05462	0.2
93.07053	0.3
95.08599	0.5
103.62951	0.1
105.07045	0.4
107.08624	0.4
109.10168	0.3
111.04445	0.1
119.08594	0.4
123.04180	0.4
128.09201	0.1
131.08545	0.1
133.10136	0.4
135.11636	0.2
145.10091	0.2
147.11635	0.2
159.11746	0.2
178.02867	0.2
195.34744	0.2
253.10707	0.2
339.19318	11.2
340.19672	0.5
357.20541	1.3
380.21973	1.7
409.04913	0.2
423.75089	0.2
434.25119	0.2
439.24573	100.0
440.19037	0.3
440.24979	4.6
457.24573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75421	0.7
55.05507	1.3
56.96572	5.4
60.90981	0.7
65.98334	0.8
69.07061	1.8
70.15340	3.6
79.05444	1.0
81.07039	2.1
91.05469	1.0
93.07038	1.9
95.04981	0.8
95.08588	2.1
96.68661	0.7
97.64554	0.8
105.03365	3.5
105.07022	2.4
106.10148	0.7
107.08625	2.3
109.02834	0.9
116.78114	0.8
118.10055	0.8
119.08591	2.0
120.01850	59.3
121.10128	1.9
131.08522	1.1
133.02599	0.9
133.10100	1.8
135.11728	1.0
143.00153	2.5
145.10121	1.6
146.07011	3.9
147.11716	1.4
161.01215	11.4
161.04456	1.0
161.09584	0.8
173.13179	0.9
179.02293	5.6
183.38852	0.9
184.02820	2.6
193.12418	1.3
198.16306	0.8
208.89948	0.8
217.11993	0.8
219.13579	10.1
243.09952	7.2
260.16052	1.0
315.15805	3.2
316.16528	7.1
339.19336	7.5
353.17291	0.8
366.69025	0.7
399.18533	2.1
417.19608	6.1
421.34763	0.8
435.20602	3.1
439.24548	100.0
440.20303	1.2
440.25507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.225
Annotation	Obscurinervine
Peak:m/z	Relative Intensity
54.71240	8.5
56.96556	16.2
67.05504	12.4
69.06454	8.6
69.28748	69.6
69.29171	28.1
81.07066	22.8
90.01939	8.8
90.30420	8.6
93.07030	10.5
93.15828	8.9
95.08617	16.8
98.20722	19.5
105.07016	11.3
107.08614	16.2
119.08588	14.3
139.52832	8.2
145.10153	11.5
147.11664	8.6
158.38556	8.1
175.02722	13.3
243.87894	11.2
369.79062	9.2
380.05359	8.4
421.34723	9.6
439.22351	100.0
439.35529	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	439.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.03703	0.4
53.03949	6.0
55.01869	0.3
55.05504	1.0
65.03949	0.3
67.05500	1.2
69.03426	1.4
69.07071	1.0
70.75434	0.9
71.44833	0.2
79.05504	1.7
81.03421	29.1
81.07049	2.5
83.04992	0.4
83.08610	0.4
84.96016	0.3
85.02901	0.4
85.06556	0.3
91.05489	2.1
93.07042	2.6
95.04978	0.9
95.08608	2.9
97.02912	1.8
97.06540	1.2
97.10146	0.3
98.03665	0.7
98.97604	0.4
99.04445	0.4
103.05460	0.3
103.20467	0.3
105.07034	10.2
107.04980	0.3
107.08587	3.7
109.02883	100.0
109.10162	1.6
110.03729	2.7
111.04453	1.0
111.08110	0.3
116.98661	0.5
117.07018	1.5
119.04956	0.7
119.08589	4.6
121.06558	0.6
121.10155	1.9
123.04475	0.5
123.08070	0.7
123.11731	0.8
125.05991	0.4
127.03943	1.2
128.06245	0.5
129.07001	1.1
131.08546	1.6
133.06487	1.3
133.10129	3.1
133.41692	0.3
135.11714	1.4
137.09592	0.5
137.13297	0.3
141.06975	0.8
142.07820	0.4
143.08580	1.1
145.06503	0.9
145.10112	2.0
147.04414	1.1
147.08064	0.9
147.11708	1.5
149.13234	0.5
151.11223	0.4
153.07063	0.4
154.07802	1.1
155.08629	1.4
156.09453	0.4
157.10155	1.4
159.08105	0.7
159.11760	0.8
161.09641	1.5
161.13272	0.8
163.03918	1.0
163.07538	0.5
163.14726	0.3
165.09113	1.4
167.07249	0.3
167.08502	0.6
169.10123	2.7
171.08072	0.6
171.11743	0.7
173.02353	0.4
173.09587	0.5
173.13260	0.9
174.35718	0.3
175.11261	0.3
175.14828	1.0
177.16406	0.5
179.08508	0.6
179.10721	0.6
181.10275	0.3
183.11803	0.5
185.09633	0.5
185.13310	0.4
187.11237	0.4
187.14848	0.9
189.09157	0.9
189.12718	0.5
189.16428	0.8
191.14479	0.4
191.17934	0.4
197.09662	4.5
199.14871	0.6
201.09033	0.4
201.16429	0.7
203.17937	1.2
207.10222	1.0
213.09142	0.9
213.16441	0.4
215.07088	0.6
215.10655	2.2
225.11227	1.3
231.17552	0.8
237.11168	1.6
241.08620	1.0
255.13976	0.3
259.09714	1.6
277.10825	0.3
333.26047	0.3
393.31628	0.9
421.20340	0.9
421.34641	0.9
439.23148	2.6
439.30392	0.4
439.35687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03524	0.6
51.76556	0.6
53.03955	1.5
53.12818	0.6
55.05497	2.4
56.11739	0.6
56.96550	0.9
57.07076	0.9
58.36002	0.7
65.03939	0.6
67.05495	3.3
68.44434	0.6
69.03429	5.8
69.07067	1.6
69.72360	2.3
69.72784	2.2
71.04987	0.8
75.01069	0.6
79.02501	0.6
79.05498	5.1
81.03418	2.6
81.07061	5.1
83.04972	1.4
83.10590	0.7
83.11119	0.6
85.02914	3.4
91.05499	5.4
91.14083	0.7
91.25576	0.6
93.07027	5.4
95.04978	2.9
95.08598	1.9
97.02899	2.8
98.21468	0.7
98.97557	1.2
99.04446	1.0
105.01865	1.4
105.07028	8.4
107.04961	4.2
107.08596	19.1
109.02881	7.9
109.06525	2.9
109.10180	8.0
115.05444	1.5
117.07030	2.5
119.08585	4.4
121.06505	2.1
121.10142	11.4
122.07325	3.4
123.08064	1.8
127.03919	4.5
129.05495	1.1
129.07071	0.7
131.08565	3.8
133.10133	100.0
134.10390	0.7
135.08063	6.3
135.11682	1.6
137.06001	1.1
137.09618	50.5
140.24205	0.7
143.08592	0.7
144.09407	0.8
145.04980	1.1
145.10141	2.8
147.08064	0.7
147.11671	3.1
149.09612	4.5
149.13264	6.8
158.10982	1.3
159.11684	0.9
161.09645	1.0
161.13219	1.3
163.14867	1.2
168.60023	0.6
173.13232	5.3
175.14882	0.8
191.14311	42.7
213.03899	1.0
231.05078	1.4
233.15565	0.8
267.71323	0.7
285.11737	1.1
335.18680	0.8
421.18588	1.0
439.15833	4.5
439.22980	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	439.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48091	1.0
53.03912	1.4
55.01863	1.8
55.05492	1.2
57.03432	1.8
60.45900	1.0
62.58823	0.9
65.03941	1.3
67.05505	2.0
69.03428	9.5
70.06588	3.9
71.57936	1.0
72.73815	1.0
73.02926	1.7
79.05493	2.8
81.03414	9.1
81.07059	2.6
84.08151	1.1
85.02892	7.1
86.09694	2.0
87.00838	4.6
91.05489	9.5
93.07039	1.7
95.05000	1.2
95.08594	1.3
97.02895	5.3
99.04451	2.8
103.05449	1.5
105.01875	2.0
105.07032	13.4
107.04951	9.7
107.08574	1.1
109.02882	5.0
109.06538	1.3
115.05450	2.9
117.07002	19.0
127.03918	7.2
128.06198	1.5
129.07007	1.7
130.07767	4.3
131.04921	2.1
131.08629	1.6
133.06482	40.6
136.06216	2.5
136.07588	1.6
143.08562	2.7
144.05704	3.7
145.04990	1.2
145.06482	8.6
145.10117	100.0
146.10432	1.7
147.08069	3.6
149.06007	1.4
155.08548	1.7
158.07271	9.2
159.02939	1.3
163.03928	3.0
173.09619	78.0
174.09950	1.7
175.11176	21.8
177.05481	1.7
191.10661	33.4
192.10979	1.0
215.07155	1.4
227.13954	1.3
237.02837	1.4
259.09259	0.9
285.08124	1.0
353.15796	10.8
395.16690	12.2
421.14859	2.5
439.15765	84.7
439.22897	17.3
440.16159	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.01865	2.1
56.96564	0.9
59.14042	0.8
61.02926	1.8
65.03931	2.4
66.28442	0.8
66.58237	0.7
67.05505	5.5
69.03416	3.3
69.07049	1.0
70.06598	8.2
71.01333	1.0
71.04967	2.3
71.58872	1.3
72.08143	2.6
79.05482	2.9
80.85715	0.9
81.03404	2.6
81.07056	4.9
81.70335	0.8
84.04491	1.0
84.08144	1.8
84.52922	0.8
85.02899	3.7
85.06535	1.7
86.09699	2.4
88.03905	0.8
89.07138	0.9
91.05477	5.0
93.07036	2.4
95.04970	57.6
95.08612	2.3
97.02888	3.9
97.06532	0.9
98.97609	1.1
103.05509	1.2
105.04516	2.7
105.07066	2.0
107.04955	3.2
107.08582	1.5
108.02090	1.7
109.02868	1.9
109.06459	1.5
109.10178	1.3
111.04426	1.7
114.05523	0.9
116.98638	0.9
117.07013	1.6
119.04959	2.2
119.08612	0.8
120.08089	2.3
121.06499	1.7
123.04429	63.6
125.02357	0.9
125.06079	1.2
127.03913	2.8
131.04918	1.0
131.08574	0.9
132.04483	0.9
133.06447	1.5
133.10126	1.7
135.04422	3.7
137.05966	3.6
140.04684	19.6
141.05495	1.9
145.02823	1.3
145.06386	1.0
145.10132	7.3
147.04420	4.7
148.93472	1.0
149.05972	1.8
150.06747	1.3
151.03909	28.0
151.05025	1.6
151.07509	1.1
153.05513	1.7
155.07031	39.0
155.14293	3.1
161.05893	1.1
163.03922	5.0
165.05470	2.4
167.07040	16.2
173.08298	1.1
173.09610	4.4
173.15427	1.9
175.11253	0.8
177.05499	5.4
178.06285	4.1
179.07060	3.6
182.05756	1.2
183.06537	100.0
189.09137	1.0
191.10696	4.6
191.16551	1.0
195.06532	6.8
196.07266	1.9
197.08089	1.7
209.07956	0.9
213.12378	4.4
221.08084	0.9
225.07579	12.5
243.08714	2.2
329.09998	1.2
385.09357	0.9
437.44675	1.0
439.15811	4.6
439.23334	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	439.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01846	1.6
57.03432	0.9
57.92681	0.7
61.02915	2.0
65.70191	0.8
67.05508	1.2
69.03427	7.4
69.07057	1.1
70.06580	3.3
71.04990	2.6
71.58873	1.8
73.02904	3.5
79.05477	3.1
81.03423	6.3
81.07036	4.1
85.02901	8.3
85.06553	1.4
85.29980	0.7
87.00841	2.3
89.07137	1.1
91.03979	0.9
91.05480	12.6
93.07043	2.0
95.04973	2.0
95.08605	1.7
97.02890	5.3
98.97591	1.9
99.04464	1.6
105.01813	1.2
105.07028	4.2
107.04972	1.8
107.08600	2.6
109.02866	5.8
109.06509	0.8
109.10113	1.7
111.49534	0.8
115.05463	1.7
116.06274	1.0
116.07050	1.0
116.98627	2.0
117.07017	10.5
121.06489	0.9
123.04445	1.6
127.03919	4.9
128.98457	0.8
129.07010	1.8
130.07759	3.7
131.04880	1.1
133.06442	1.2
135.11732	1.9
143.08563	3.0
144.05693	3.9
145.04936	1.7
145.06476	5.8
145.10118	27.5
147.04398	2.9
147.08072	1.1
151.11136	1.0
151.52989	0.8
153.12721	3.4
155.08519	4.8
157.06459	1.6
158.05963	1.2
158.07257	21.6
158.08478	1.6
159.02858	1.9
163.03893	1.7
171.13943	1.0
173.09624	67.8
175.11110	1.0
177.00719	1.5
177.05373	0.9
183.06560	1.4
187.05952	1.2
191.10672	100.0
192.11055	1.9
193.34811	0.8
237.02827	1.8
290.13651	0.9
309.06647	1.3
317.08395	5.6
327.07385	2.4
328.07581	0.9
349.35861	0.9
353.16000	11.8
395.16983	3.4
421.14850	3.4
439.16382	40.0
441.10611	3.8
459.11478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05500	1.4
57.03412	0.9
58.41734	0.8
67.05495	1.2
69.03434	5.7
69.27525	8.6
69.27927	1.5
70.06589	4.2
73.02899	1.5
79.05471	2.5
81.03433	4.5
81.07037	1.9
81.75253	0.9
84.04500	1.0
85.02907	5.2
86.09692	1.8
87.00816	1.7
91.05495	4.7
93.07030	2.1
95.04967	1.4
95.08613	1.5
97.02856	2.5
98.27406	0.9
99.04465	2.0
103.03949	0.9
105.07028	5.6
107.04939	2.7
107.08575	2.4
109.02884	4.3
115.05447	1.9
117.07015	7.1
119.04912	1.1
119.08579	1.5
121.06516	0.8
121.10152	1.9
127.03931	5.0
130.07759	1.8
131.04951	0.9
131.08557	2.1
133.05234	1.8
133.06487	6.1
133.10194	1.6
135.08073	0.9
135.11641	1.0
136.06148	0.9
143.08542	1.3
145.04985	0.9
145.06493	4.3
145.10120	21.8
147.04427	1.3
155.08565	1.3
158.07233	5.5
159.08020	1.2
160.08798	4.6
161.09641	5.0
163.03932	1.9
171.08066	0.9
173.09622	25.5
173.13287	0.9
175.11205	3.9
191.10669	100.0
192.11058	2.1
227.14020	1.4
245.06305	1.1
289.05331	4.5
303.05066	1.3
353.15866	11.0
362.98047	1.0
371.11911	0.9
374.97916	1.4
395.16794	10.4
397.99530	1.7
421.14804	3.4
439.15826	68.5
439.23318	2.4
440.16174	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	438.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	19.9
55.37778	7.2
56.96551	8.6
57.07065	27.1
64.01851	9.5
67.05488	20.1
69.07054	18.6
71.61711	12.1
79.05472	12.5
81.07057	41.6
83.04991	11.3
83.08611	8.2
83.67236	9.0
85.06537	18.7
91.05463	21.6
93.07040	40.5
95.08596	48.4
99.08102	45.9
105.07041	48.7
107.08599	60.4
109.10173	45.5
119.08576	39.3
121.10136	39.6
123.11703	10.8
133.10110	34.9
135.11673	13.6
139.90891	10.1
147.11671	45.1
149.13271	20.3
159.11627	17.1
161.13190	11.9
175.11197	34.1
175.14719	9.7
177.12747	26.6
193.12181	26.8
211.13301	34.1
219.13785	13.2
295.19107	46.7
303.23114	10.3
339.19250	26.2
439.24707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48091	1.0
53.03912	1.4
55.01863	1.8
55.05492	1.2
57.03432	1.8
60.45900	1.0
62.58823	0.9
65.03941	1.3
67.05505	2.0
69.03428	9.5
70.06588	3.9
71.57936	1.0
72.73815	1.0
73.02926	1.7
79.05493	2.8
81.03414	9.1
81.07059	2.6
84.08151	1.1
85.02892	7.1
86.09694	2.0
87.00838	4.6
91.05489	9.5
93.07039	1.7
95.05000	1.2
95.08594	1.3
97.02895	5.3
99.04451	2.8
103.05449	1.5
105.01875	2.0
105.07032	13.4
107.04951	9.7
107.08574	1.1
109.02882	5.0
109.06538	1.3
115.05450	2.9
117.07002	19.0
127.03918	7.2
128.06198	1.5
129.07007	1.7
130.07767	4.3
131.04921	2.1
131.08629	1.6
133.06482	40.6
136.06216	2.5
136.07588	1.6
143.08562	2.7
144.05704	3.7
145.04990	1.2
145.06482	8.6
145.10117	100.0
146.10432	1.7
147.08069	3.6
149.06007	1.4
155.08548	1.7
158.07271	9.2
159.02939	1.3
163.03928	3.0
173.09619	78.0
174.09950	1.7
175.11176	21.8
177.05481	1.7
191.10661	33.4
192.10979	1.0
215.07155	1.4
227.13954	1.3
237.02837	1.4
259.09259	0.9
285.08124	1.0
353.15796	10.8
395.16690	12.2
421.14859	2.5
439.15765	84.7
439.22897	17.3
440.16159	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95028	0.8
53.03959	4.3
55.01864	2.4
55.05503	2.8
57.03420	1.1
59.04992	0.8
61.02923	1.7
67.05498	4.0
69.03435	6.9
69.07071	5.2
70.16218	2.8
71.05000	1.5
71.08633	42.3
73.02914	1.8
79.05479	2.3
81.03420	15.0
81.07066	5.3
83.04959	1.7
84.94919	0.8
85.02908	16.8
85.44966	0.8
87.00819	5.6
91.03929	1.1
91.05476	3.4
93.07057	3.7
95.04970	1.3
95.08612	3.9
97.02888	9.5
97.06522	4.0
97.10173	0.9
98.33141	1.0
99.04451	2.6
99.08096	100.0
100.08416	1.1
105.01870	8.9
105.07026	6.3
106.07323	1.1
107.08601	4.0
109.02882	46.8
109.06613	1.0
109.10129	3.8
111.08138	1.0
119.08603	2.9
120.08937	0.9
121.10142	2.8
123.11668	1.3
127.03925	12.8
129.11859	1.2
129.12766	17.3
131.08505	2.1
133.10143	2.7
135.11673	1.1
137.05991	1.4
143.08481	1.1
145.04922	5.7
145.10126	2.2
147.11639	1.1
149.13261	1.5
155.08556	5.8
155.14308	3.2
157.10097	1.8
158.36604	1.0
159.02901	2.4
159.11763	1.5
161.09619	1.4
161.13319	1.3
163.03963	2.3
169.10060	1.0
173.02336	1.1
173.15379	78.2
174.15642	2.2
177.05495	2.2
187.14798	1.0
189.16402	1.4
197.09627	2.5
201.16270	1.2
202.16608	1.0
213.09227	0.9
215.07036	1.6
215.10683	1.3
231.04866	1.0
259.09680	4.0
277.10669	1.2
421.20200	1.4
438.34467	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	438.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72993	0.4
53.03954	1.7
55.01871	2.0
55.05518	1.0
57.03434	1.4
57.60503	0.5
59.05006	1.6
61.02921	1.4
67.05489	0.5
68.99795	0.9
69.03429	6.5
69.07073	3.9
71.02710	0.4
71.04995	1.3
71.08633	45.9
71.59789	0.7
71.60465	0.6
73.02914	2.2
76.54664	0.5
78.49078	0.5
81.03418	6.3
81.07043	0.8
85.02908	17.2
87.00837	8.2
91.05484	0.7
95.08608	1.8
96.08968	0.8
97.02894	7.7
97.06545	1.0
99.04463	3.3
99.08094	100.0
100.08421	0.5
105.01870	6.7
105.07049	0.9
107.08607	0.7
109.02879	10.3
115.03930	0.6
117.01866	0.7
117.09145	0.5
127.03914	10.6
129.01833	1.0
129.12753	9.9
131.04927	0.7
145.04973	3.8
155.14355	2.6
155.15465	0.4
159.02902	3.2
159.16682	0.5
173.15378	78.2
173.24919	0.4
174.15681	1.1
213.03870	0.6
230.70685	0.5
231.05002	1.3
255.67073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.7
57.03431	3.1
58.99591	1.0
59.04980	0.7
61.02920	1.9
61.18578	0.7
63.98697	0.6
65.03949	1.1
66.70892	0.6
66.82311	0.8
68.05032	1.3
69.03076	0.9
69.03436	14.2
71.58584	1.5
73.02909	0.9
81.03431	1.6
81.07066	1.3
84.04494	1.4
85.01127	1.6
85.02422	1.3
85.02912	17.6
87.04470	4.8
91.05488	1.4
92.28116	0.6
93.09445	0.8
93.21784	0.7
95.04964	1.1
97.02892	6.8
98.00629	0.9
99.02697	1.9
99.04458	1.2
102.05594	0.7
107.04984	0.8
109.02880	1.6
113.03003	1.0
115.03941	3.1
116.98639	0.9
119.04934	1.0
120.05316	1.0
126.03738	16.1
127.03833	3.3
133.04968	2.5
142.03169	0.9
144.04796	100.0
145.05058	2.3
147.04434	5.7
148.04785	2.7
161.01222	1.0
186.05896	2.0
189.03282	1.1
208.01122	0.7
239.02324	0.7
277.40991	0.8
306.10092	66.5
307.10443	1.6
414.07852	1.7
438.14404	7.1
439.16058	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	438.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01885	0.5
57.03226	0.4
57.03448	3.8
57.03713	0.7
61.02926	1.1
65.03908	0.4
66.68387	0.4
69.03432	11.1
70.29042	0.4
71.04971	0.4
71.44823	1.1
73.02910	0.7
74.48296	0.4
75.58074	0.4
77.68745	0.4
78.03464	0.5
81.03417	1.8
85.02912	20.3
87.04476	4.8
90.03434	1.8
91.05510	0.5
93.31714	0.4
97.02903	7.1
99.00040	0.6
99.04481	1.0
101.02335	0.6
109.02898	1.7
115.03943	4.4
119.04931	0.8
121.58627	0.5
126.01078	70.6
126.05554	2.0
127.01930	2.1
127.03926	4.1
128.02621	1.6
133.04977	2.3
139.03946	0.7
144.02122	100.0
145.02441	1.3
145.04985	1.6
147.04369	2.3
180.21231	0.5
186.03123	1.4
195.92677	0.5
199.06020	0.4
210.03200	0.4
237.02769	0.4
249.56676	0.4
288.06265	2.0
306.07416	61.4
307.07791	1.8
329.78079	0.4
341.61795	0.5
421.86475	0.4
433.83093	0.4
438.10941	0.9
438.21777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
53.89835	1.2
54.46549	1.1
55.05507	10.2
57.07072	5.1
58.72345	1.1
62.31298	1.1
64.67729	1.0
65.03941	1.5
67.05502	16.3
69.07071	12.9
71.59837	1.7
72.97162	1.1
77.03890	1.2
79.05494	11.0
81.03419	1.4
81.07062	25.9
83.04974	1.9
83.08611	8.2
91.05482	14.6
91.09978	1.2
93.07040	19.4
95.04981	2.3
95.08607	43.2
96.23729	1.1
97.06579	2.4
97.10154	3.9
103.05472	1.4
105.06442	0.8
105.07034	26.4
107.08595	27.3
109.06530	1.9
109.10158	32.0
111.08096	1.3
114.92464	1.3
117.07017	4.0
119.08587	60.7
121.10140	28.7
123.08058	1.4
123.11700	9.0
125.09679	1.4
129.06982	1.6
130.07744	1.4
131.04948	5.7
131.08559	12.8
133.10133	37.1
134.10458	1.8
135.08028	1.4
135.11700	15.7
137.09634	1.9
137.13277	4.1
142.07784	1.6
143.08562	6.8
144.09335	2.4
145.10132	30.0
147.11693	28.5
147.12793	2.3
149.02368	1.9
149.09581	1.5
149.13264	9.6
151.14803	1.6
153.09093	2.1
155.08438	1.4
157.10118	7.8
158.10916	3.8
159.11705	41.6
160.12376	1.8
161.13269	19.6
163.11191	2.6
163.14851	11.5
165.16338	1.4
169.10161	3.3
171.11621	6.7
173.13275	15.3
175.14827	24.3
177.16371	16.0
183.11726	2.4
185.13257	4.7
187.14819	22.5
189.16386	53.4
191.10573	1.2
191.17918	7.9
193.05042	3.3
199.14879	6.1
201.16388	47.3
203.17952	50.4
205.19632	2.2
211.14838	2.7
213.16429	10.4
215.17957	19.3
217.19536	5.1
221.15399	2.3
225.16463	2.9
227.12749	1.2
227.17920	5.9
229.19518	6.8
231.17471	1.5
233.15346	1.8
235.16957	4.1
239.17979	3.5
241.19540	4.3
243.21004	5.8
247.16985	4.4
249.18625	2.9
253.19501	3.1
255.21249	2.4
259.17032	2.3
261.18558	4.1
267.21033	1.9
273.18539	1.6
275.20261	1.2
285.18503	3.2
287.20148	1.3
293.22546	1.4
295.24130	1.9
299.20087	2.6
301.21542	1.2
307.24274	1.7
321.25784	1.8
335.27475	2.5
341.24954	1.6
349.28650	1.7
367.26395	1.9
391.33502	15.6
392.33511	1.5
394.28760	1.9
409.34711	1.4
419.33066	3.1
437.20535	1.9
437.24881	3.6
437.34177	100.0
438.34622	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	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.1
57.07067	2.9
65.03957	1.0
67.05508	15.6
69.07069	12.8
70.80977	1.3
70.81313	1.7
79.05495	8.6
81.03404	1.0
81.07060	26.3
83.04989	1.6
83.08624	7.4
85.02918	0.9
91.05479	10.3
93.07045	18.7
95.04984	1.8
95.08609	44.4
96.59979	0.9
97.02882	1.3
97.06505	1.3
97.10159	3.3
103.05447	4.6
105.07035	26.0
107.08606	30.3
108.08909	1.0
109.06517	1.0
109.10159	31.4
111.04485	0.9
111.08062	1.5
111.11773	1.5
112.37434	0.9
117.07006	5.5
119.08588	47.4
121.10155	26.1
123.08044	1.7
123.11720	9.5
124.74165	0.9
125.06030	1.2
127.03872	0.9
129.06993	2.4
130.07756	1.8
131.04929	10.9
131.08569	14.3
133.10130	35.5
135.11693	14.7
137.13246	4.1
142.07799	1.1
143.08559	4.0
144.09354	2.2
145.10129	27.6
147.11700	23.3
149.02354	9.1
149.13260	10.9
153.09132	2.0
155.08617	3.2
157.10088	4.5
158.10942	2.1
159.11691	33.3
161.09540	1.0
161.13261	16.7
163.11200	2.1
163.14812	10.9
165.09099	1.1
167.10645	1.1
169.10178	2.8
171.11659	4.8
172.12445	1.0
173.11806	1.7
173.13257	15.2
175.14844	17.9
177.08966	0.9
177.16396	13.6
179.10625	0.8
183.11754	1.3
185.13211	4.8
186.14041	1.4
187.14818	13.5
189.16389	49.0
190.16679	1.1
191.10893	0.9
191.17935	6.1
193.04965	15.3
193.12262	1.2
195.11591	1.3
196.12480	1.2
197.13277	2.2
199.14784	4.9
201.16399	38.9
203.17958	44.5
205.19543	2.2
207.17500	1.6
209.13440	1.2
211.14902	1.9
213.16397	6.9
215.17961	25.2
217.15938	1.1
217.19562	3.9
219.17482	2.6
221.15398	1.4
225.16412	3.5
227.12851	1.1
227.17935	4.5
229.19519	7.9
231.17575	1.5
235.17014	3.5
237.16280	1.8
239.18002	4.6
241.19580	4.5
243.21120	3.7
247.16962	3.9
249.18539	2.4
253.19588	2.8
255.21069	2.3
259.16965	2.9
261.18539	3.0
267.21112	2.9
269.22748	1.4
271.16953	1.7
273.18506	2.6
275.20148	2.7
281.22772	2.4
285.18552	2.4
295.24304	1.6
299.20328	1.9
307.24103	1.2
313.21710	1.5
321.25888	1.3
325.21777	1.2
327.23242	2.3
335.27493	1.7
341.24808	1.4
349.28845	1.0
353.24652	1.6
356.13718	1.6
367.26050	1.0
391.33612	23.2
392.34039	1.6
395.29178	1.1
409.34677	2.4
419.33313	2.4
437.24725	2.8
437.34189	100.0
438.28540	3.4
438.34595	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	437.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05507	8.7
57.07061	3.0
67.05499	14.3
69.03419	1.2
69.06785	1.0
69.07072	11.4
69.41710	9.1
71.04977	1.7
71.08615	1.0
79.05501	7.7
81.07053	24.5
83.04981	2.1
83.08622	8.3
85.02921	6.9
91.05473	11.2
93.07044	19.1
95.04951	1.8
95.08605	42.7
97.10166	1.8
99.04443	1.6
105.07027	28.9
107.08589	30.2
109.06486	1.5
109.10156	30.7
111.04455	2.5
117.07019	5.8
119.08581	55.9
121.10142	26.9
123.11703	8.7
127.03923	1.5
129.05466	2.8
129.06937	1.5
131.08592	14.2
133.10127	38.8
135.07997	1.0
135.11693	13.5
137.09575	1.0
137.13251	3.5
139.07513	1.2
141.06917	1.1
143.08553	4.5
144.09312	2.1
145.10123	28.1
147.11684	27.7
149.13281	8.6
153.09114	1.5
155.08517	1.3
157.10123	5.3
158.10913	3.2
159.11696	36.9
160.12372	1.3
161.13255	19.7
163.07526	1.5
163.14848	11.8
169.10161	1.9
171.11676	4.5
172.12468	1.7
173.13263	17.8
175.14818	22.3
175.16266	1.7
177.16411	16.8
179.10693	1.2
183.11668	3.7
185.13191	2.4
187.14810	19.0
189.16383	54.8
191.17947	7.3
197.13290	2.0
199.14786	5.0
201.16379	44.4
202.16808	1.8
203.17947	47.9
204.18153	1.9
205.19547	1.8
207.17357	1.4
211.14680	1.3
213.16362	8.5
215.17952	25.9
217.19485	5.7
221.15331	2.8
221.18866	1.3
225.16414	3.9
227.17903	5.2
229.19485	7.5
233.15375	1.3
235.16919	3.0
239.17955	3.2
241.19484	4.8
243.21176	5.8
247.16939	4.6
249.18559	2.6
253.19563	2.9
255.21091	4.9
259.16971	2.5
261.18689	2.7
267.21255	1.6
269.22775	1.4
273.18420	1.2
275.11258	1.1
275.20044	1.4
280.48508	1.0
281.22507	1.6
285.18484	2.8
287.20126	1.8
293.12183	1.7
295.24213	1.4
299.20169	2.1
313.21707	1.2
315.23389	1.4
327.23157	1.2
341.24622	1.6
349.28879	1.9
353.24820	1.3
367.26685	1.5
391.33578	20.5
394.28665	2.1
419.33328	1.6
437.34152	100.0
438.34637	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01855	3.6
55.05503	17.7
57.07070	5.7
59.04954	3.3
67.05494	28.2
68.35358	2.9
69.07063	16.5
71.04984	5.6
79.05498	14.9
81.07049	36.3
83.04972	7.8
83.08615	7.2
85.02885	6.0
91.05479	20.9
93.07041	26.7
95.04954	5.3
95.08040	5.5
95.08603	52.0
96.28189	3.0
97.10197	5.0
98.21532	7.4
103.05456	9.2
105.07034	34.7
107.08597	32.4
109.08869	2.8
109.10134	32.9
117.07031	5.1
119.07787	5.8
119.08578	69.6
119.34192	3.2
121.10133	34.3
123.11700	10.5
125.09634	3.7
130.07748	4.3
131.04924	17.5
131.08563	16.8
133.10117	48.1
135.08034	4.2
135.11646	15.0
137.05981	3.8
137.13205	3.6
143.08531	5.6
145.10115	39.4
147.11678	28.1
149.13258	9.3
153.09093	6.4
157.10149	6.7
158.10857	6.4
159.11699	40.5
161.13237	19.9
163.11176	4.5
163.14760	13.0
171.11665	7.7
173.11803	6.4
173.13255	16.7
175.11079	4.2
175.14825	19.6
177.16405	15.3
184.07382	3.6
185.13268	3.1
187.14812	27.7
189.16379	66.4
191.17914	10.6
199.14874	7.0
201.16379	71.0
203.17941	60.5
213.16357	5.9
215.17894	23.5
217.19495	5.0
227.17981	4.4
229.19539	8.9
241.19513	5.4
243.21216	4.9
247.16827	6.5
255.20937	4.7
267.21127	3.0
275.19955	3.5
299.19861	3.7
356.65237	3.5
391.33374	17.8
437.15646	3.5
437.25452	9.8
437.34134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77274	2.5
53.03946	3.5
55.01877	2.7
55.05498	12.2
56.96566	3.3
57.07071	4.7
62.82408	2.5
62.84948	2.6
67.05506	28.9
69.03417	4.8
69.07063	10.6
71.04998	4.4
71.60182	3.8
79.05490	14.5
81.03415	4.3
81.07063	30.4
83.05009	4.6
83.08606	10.8
85.02866	5.2
91.05495	17.3
93.07017	24.6
95.04989	2.8
95.08607	32.0
97.10171	6.0
103.05462	6.0
105.07024	36.9
107.08586	34.7
109.06475	3.3
109.10165	27.2
111.08046	3.2
117.07018	7.3
119.08581	53.6
121.02839	3.3
121.10130	25.7
123.08046	4.4
123.11698	11.7
129.06975	2.9
131.04950	26.7
131.08574	15.1
133.10136	36.4
135.08006	3.5
135.11713	18.5
139.07536	3.1
143.08571	7.0
144.09306	3.6
145.10103	32.5
147.07928	4.0
147.11694	38.2
149.13240	11.4
153.09097	5.6
155.10793	3.0
157.10132	5.2
159.11687	31.5
161.13249	13.5
163.11122	3.8
163.14876	10.2
171.11682	6.0
173.13246	14.0
175.14835	17.7
177.16383	14.0
181.12144	2.9
185.13319	5.0
187.14815	23.2
189.16379	67.4
191.17970	10.8
195.52850	3.0
199.14845	4.0
201.16386	59.3
203.17932	48.3
213.16399	3.0
215.17941	12.9
217.19594	3.6
227.18018	4.8
229.19537	9.6
235.16939	5.7
243.21149	4.5
247.16905	5.0
249.18607	5.5
255.20831	3.3
342.67926	2.8
391.33676	12.9
437.16422	4.4
437.25034	6.5
437.34186	100.0
438.34323	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	437.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23866	4.5
55.05515	28.6
56.05837	7.5
57.03448	8.3
57.07067	9.4
59.04993	6.0
65.67788	4.1
67.05508	64.9
68.05837	6.9
69.07070	27.0
69.48872	3.9
70.10479	21.1
76.72122	4.0
79.05492	17.5
80.05838	7.8
81.03365	4.9
81.07062	63.4
82.07387	10.5
83.04980	29.0
83.08611	16.5
85.06544	9.9
91.05478	32.9
92.05814	5.9
93.07052	49.9
94.07371	15.7
95.04965	6.6
95.08607	100.0
96.08945	42.4
97.06526	8.3
97.10151	9.9
98.98454	5.6
100.98989	4.1
105.07030	40.7
106.07381	14.8
107.08589	62.0
108.08929	20.6
109.10158	70.1
110.10493	20.4
111.04463	6.9
111.08076	10.6
117.07017	8.8
119.08588	72.2
120.08901	29.7
121.10149	47.2
122.10478	16.8
123.08024	9.3
123.11707	18.6
124.12081	7.4
125.05989	5.4
131.08595	13.9
131.44954	4.4
133.10127	46.1
134.10452	21.8
135.11699	20.6
136.08417	5.5
136.12059	9.7
137.09602	16.8
138.09972	9.0
143.08546	12.8
144.08960	5.0
145.10104	26.4
146.10510	12.1
147.11678	30.3
148.12045	20.7
149.09602	5.5
149.13297	9.0
150.13606	7.3
151.11197	6.8
155.08434	4.5
157.10129	14.3
158.10501	5.8
159.11746	22.0
160.12059	17.8
161.09654	5.3
161.13232	21.5
162.13611	15.3
163.11221	6.3
163.14838	19.5
164.15154	13.8
165.12781	4.7
169.10077	8.5
170.10526	11.9
171.11674	13.6
172.12170	5.8
173.13255	14.1
174.13651	11.0
175.14847	5.7
176.15184	10.5
179.10742	5.0
182.12675	4.6
184.12029	5.2
185.13248	12.7
186.13669	9.6
187.14801	13.8
188.15201	12.8
189.12840	8.2
191.17941	6.7
192.18239	4.9
197.13152	5.3
198.13586	7.5
199.14828	7.8
201.16457	12.5
202.16701	8.5
203.17918	6.8
204.18323	13.6
205.12354	6.0
207.13707	6.3
208.14246	6.3
214.16873	5.4
216.90346	4.6
222.15918	4.9
226.12981	5.1
229.19449	5.4
240.18312	10.7
241.19505	5.8
242.19878	7.1
245.15149	5.2
246.15656	7.5
248.17116	5.7
258.23029	19.9
276.20450	6.7
283.20529	4.6
284.20847	6.8
286.22397	6.6
299.20294	5.2
300.20410	16.9
301.21613	16.9
302.21970	52.5
303.23199	10.3
304.23505	35.2
317.21060	8.0
318.21399	29.4
319.22659	14.5
320.23013	63.2
339.27863	10.6
386.58759	4.3
437.25015	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	437.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02447	1.1
52.20520	1.0
55.01626	1.6
55.01874	25.0
57.07059	1.0
58.53485	1.2
60.33904	1.2
63.86298	1.2
64.10365	1.0
64.86119	1.0
65.00320	2.0
65.00642	26.3
67.05506	3.5
69.07057	2.2
71.06801	2.6
73.02923	27.9
79.05476	2.7
79.20099	1.3
81.07061	4.6
91.05496	2.6
93.07036	4.8
95.08624	11.2
105.07034	3.2
107.08618	8.9
109.10155	6.5
111.04482	1.3
117.72507	1.1
119.01649	43.1
119.08614	5.2
121.10157	6.3
123.11691	1.4
133.10153	2.8
135.11681	4.4
137.02684	100.0
138.03125	1.4
143.08562	1.4
145.10202	1.7
145.66202	1.0
147.11682	3.2
149.13277	2.1
157.10153	1.4
159.11691	2.1
161.13309	1.6
185.13289	1.5
191.10657	1.5
203.18083	1.2
231.13741	1.5
241.19560	1.6
242.73534	1.0
283.20688	1.9
301.21646	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	437.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
55.33454	0.5
57.07075	4.0
59.04982	0.9
67.05482	1.7
68.21404	0.7
69.07059	1.1
71.57803	1.2
79.05470	0.7
80.82729	0.6
81.07039	1.7
83.04985	0.7
85.50374	0.6
86.74090	0.5
91.05464	1.6
93.07026	2.3
95.08595	1.6
99.08069	2.1
105.07034	2.8
106.07327	0.9
107.08588	1.9
109.10155	0.7
119.08575	1.7
121.10155	1.3
125.09611	4.7
126.09959	2.4
131.08543	1.3
133.10123	1.3
143.08534	0.6
145.10092	1.5
146.46172	0.6
147.11665	1.5
148.12015	1.1
155.08530	1.6
157.10129	2.0
157.17313	0.6
159.11676	1.4
168.03516	0.5
171.11713	1.3
176.11607	0.7
193.12305	1.0
194.12535	0.9
211.13174	0.9
211.14963	0.7
212.13705	1.3
213.16383	1.1
239.11766	0.6
295.19064	1.1
296.19370	1.5
303.87155	0.5
336.22559	1.0
337.17789	4.8
355.19226	0.6
378.20465	0.9
420.28183	1.6
437.22983	100.0
438.23560	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	437.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
59.04984	0.9
69.07096	0.4
70.36234	1.0
79.05499	0.3
89.34869	0.3
91.05477	0.9
93.07017	0.3
95.08611	0.4
101.11846	0.3
105.07051	1.9
107.08591	1.0
111.04464	0.4
117.05930	0.2
117.06958	0.3
119.08569	1.0
121.10159	0.4
130.73721	0.3
131.08577	1.2
133.10114	0.4
135.08037	0.4
141.07001	0.3
142.07671	0.3
143.08559	0.7
145.10139	1.1
147.07893	0.3
155.08565	2.2
157.10179	1.4
159.11720	1.8
169.10197	0.4
171.11739	1.8
179.08635	0.4
181.10129	0.5
183.11755	0.4
185.13251	0.6
193.10185	0.3
195.11615	0.5
209.13321	0.5
211.14821	1.1
213.16354	1.5
237.16420	0.9
255.17374	0.5
261.16281	0.3
279.17606	0.5
319.45505	0.3
337.17706	7.6
355.18878	1.1
378.20462	0.9
437.23016	100.0
438.23376	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	437.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01865	3.4
55.05497	2.7
57.03434	2.2
59.39571	1.2
59.57026	1.4
60.45572	1.4
61.02904	1.6
65.03919	2.0
67.05486	3.9
69.03430	12.0
69.07052	4.0
69.24436	1.4
69.83358	5.3
69.83768	2.9
70.06593	4.5
71.04993	19.3
72.08140	3.4
73.02902	1.4
73.06541	3.8
79.05477	4.3
80.57242	1.4
81.03436	10.4
81.07052	23.0
83.04979	2.3
83.08600	2.1
84.04485	1.8
84.08134	2.0
85.02420	2.1
85.02903	24.9
85.06534	3.8
86.09702	4.8
87.00817	7.3
89.07148	1.9
91.05482	4.4
93.07045	13.5
95.04967	3.0
95.08601	6.2
97.02905	10.4
97.06519	8.1
98.97565	1.8
99.04476	6.5
103.03951	4.8
105.01872	7.8
105.07040	3.7
107.08591	13.9
109.02859	7.1
109.10168	8.6
110.10480	2.9
111.04446	2.0
116.98588	2.0
119.08593	2.0
119.67758	1.2
120.08115	5.5
123.04429	2.4
123.11712	8.6
127.03909	19.8
128.04269	1.4
128.06238	12.6
129.01730	1.9
133.10117	2.2
134.99680	2.2
135.11684	21.3
136.12057	2.2
141.12738	36.5
143.07489	2.4
143.08563	36.0
145.02832	2.6
145.04971	7.6
149.06042	1.7
149.07240	1.9
149.09547	1.7
153.11494	3.0
153.12749	63.1
154.13087	1.7
159.02905	3.4
161.09651	1.5
163.03871	3.8
163.06024	1.4
164.05775	1.4
169.12212	2.5
171.08057	13.0
171.13805	100.0
172.14047	1.3
177.05438	4.6
181.04953	1.9
187.07661	1.6
189.09109	6.2
189.14845	9.8
195.13824	1.9
225.64897	1.5
231.05054	1.5
271.04956	1.7
286.64297	1.4
307.16901	1.7
351.10590	1.7
375.10477	9.9
391.13058	1.6
393.11465	9.2
437.10196	44.2
437.20386	2.6
438.10901	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	437.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03931	2.2
55.01860	2.1
55.05507	3.4
57.03432	1.1
57.07062	1.6
59.04987	0.8
61.02905	1.9
65.03925	0.9
67.05494	4.3
68.99767	0.8
69.03426	7.5
69.07066	15.9
69.59971	0.4
70.06602	2.4
71.04987	2.1
73.02905	1.7
79.05473	2.6
81.03417	5.1
81.06578	0.7
81.07055	13.4
82.07385	0.6
83.04990	1.0
83.08636	3.3
83.88404	0.4
85.02901	18.6
86.03230	0.5
87.00829	9.6
91.05494	2.6
92.87235	0.5
93.07039	15.3
95.04974	4.3
95.08604	16.4
96.08954	0.6
97.02894	8.9
97.05985	0.4
97.06509	2.8
98.20736	1.1
99.04427	2.8
103.05466	36.3
104.05783	1.4
105.01861	12.5
105.07003	1.6
107.08595	16.6
109.02869	4.9
109.10150	12.3
111.08051	0.5
115.03923	0.9
117.01821	0.6
119.08554	0.8
121.02872	3.7
121.10178	0.9
123.11723	4.3
125.02350	1.6
125.13273	1.3
127.03911	13.8
129.01811	1.1
131.04922	100.0
132.05257	2.9
135.11684	32.4
136.12085	1.0
137.13229	3.9
139.03926	1.2
145.04967	4.0
145.10129	0.8
147.02861	0.8
147.11739	0.6
149.05991	1.8
151.11215	0.7
153.12741	36.5
154.13078	1.9
159.02911	2.4
159.11682	0.7
163.03813	0.8
167.03426	1.2
171.13789	13.7
172.14128	1.1
185.04430	2.5
187.07527	2.2
188.07890	1.0
189.09132	1.5
189.14848	17.8
213.03847	0.6
231.04976	2.7
249.06102	1.1
392.35172	0.5
419.09644	1.4
425.15308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01866	7.8
55.05494	5.4
55.69809	1.8
57.03426	5.2
57.07060	5.5
59.04993	2.8
61.02912	5.1
67.05499	11.7
68.99780	2.6
69.03429	22.8
69.06725	2.5
69.07067	42.3
69.63040	14.9
71.04989	4.9
73.02899	3.1
77.98824	1.8
79.05489	6.6
81.03421	17.5
81.07055	38.8
83.08615	8.4
85.02904	57.0
87.00841	26.0
91.05473	6.5
93.07042	42.6
95.04969	3.0
95.08607	44.0
97.02899	21.0
97.06530	8.9
99.04430	6.0
105.01868	33.3
107.08591	44.9
108.08926	2.1
109.02879	16.5
109.06617	2.0
109.10161	34.4
111.04446	1.7
115.03943	2.1
117.01842	2.6
119.08566	3.5
123.11723	11.6
125.13292	2.8
127.03916	30.0
131.04893	5.6
133.06546	2.0
135.11690	91.3
136.12021	6.7
137.13286	13.6
140.74577	1.8
145.04953	12.2
145.10139	2.5
153.12746	100.0
154.13069	7.1
159.02916	6.4
161.04460	2.1
171.11665	2.4
171.13809	40.4
185.39771	1.8
189.09073	11.7
189.10571	1.9
189.14864	44.4
218.07626	2.0
231.05025	8.5
249.06166	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	437.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
65.14709	0.3
67.05478	0.5
69.03412	0.7
70.06590	0.4
70.64042	0.8
73.02895	0.3
81.03411	0.4
81.07052	0.7
84.04499	1.8
85.02903	1.3
86.03246	0.4
91.05484	2.2
93.07057	1.2
95.08583	0.5
97.02885	0.8
103.05453	1.1
105.01854	0.8
107.08595	0.9
108.08978	0.5
109.10171	0.4
111.08069	0.4
114.56480	0.3
127.03910	0.9
128.04242	0.3
131.04944	2.5
135.11668	0.9
136.07689	0.3
136.12009	0.6
148.89880	0.3
149.15471	0.4
151.11185	0.3
163.03891	0.8
172.14217	0.5
189.08975	0.6
293.09918	1.4
298.94287	0.4
303.05057	0.9
303.94254	0.4
304.05228	0.7
305.05609	2.4
329.08557	0.5
344.26849	0.3
351.14120	2.2
375.14166	5.2
377.12262	1.5
393.15231	8.2
393.19952	0.7
394.15536	0.3
422.89612	0.4
437.14206	100.0
438.14349	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	437.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03947	0.7
55.01865	0.7
55.05502	0.3
65.03938	1.1
67.05504	1.6
69.03410	0.5
69.49432	1.5
69.49845	0.6
72.62046	0.3
77.03928	0.6
81.03424	1.3
83.05007	0.5
85.02913	0.5
87.00871	0.4
91.05511	0.3
93.03423	1.3
93.07759	0.3
95.01351	0.4
95.04976	3.5
95.79657	0.3
97.02905	2.5
102.04653	0.5
103.05470	35.7
109.02868	0.5
111.04462	1.4
113.02329	0.3
121.02869	6.3
125.02341	4.4
127.03905	0.6
131.04929	100.0
132.05254	1.0
139.03944	1.3
141.01823	0.3
149.05983	2.1
153.12741	0.4
155.03444	0.4
157.04991	0.4
167.03395	3.2
185.04451	7.1
189.09125	1.6
203.05412	0.3
211.06007	0.3
257.13757	0.3
271.04501	0.9
315.08539	0.5
335.70224	0.2
401.08630	0.9
419.09918	2.0
437.21552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03942	1.2
54.87099	0.3
55.01868	0.6
55.05523	0.6
57.03423	0.4
65.03934	1.0
66.13279	0.4
67.05499	1.8
67.64803	0.3
69.03419	0.9
69.07063	0.6
70.97218	1.1
71.80655	0.4
74.60516	0.4
81.03407	1.3
81.07058	2.0
83.04982	1.3
85.02915	0.8
91.05482	0.7
93.03410	0.8
93.07034	1.4
95.04964	3.4
95.08617	1.9
97.02914	2.2
103.05473	37.1
103.54570	0.4
105.04521	0.5
105.07050	0.8
107.08603	1.4
109.02860	0.5
109.10167	1.5
111.04489	0.9
119.08591	1.6
121.02871	7.8
121.10198	1.1
125.02390	2.9
125.09626	0.4
131.04935	100.0
132.05295	1.1
133.10127	0.8
135.11803	0.5
137.02367	0.5
139.03896	1.8
145.10127	1.0
147.11739	0.7
149.05998	1.8
149.13185	0.4
157.10162	0.6
159.11711	0.9
166.91658	0.5
167.03391	3.0
171.11777	0.5
173.13272	0.5
177.16544	0.5
185.04449	5.8
187.14809	0.8
189.16389	0.7
199.14906	0.6
201.16422	0.6
271.04410	0.7
280.41431	0.4
289.05673	0.6
401.08981	0.6
419.09842	1.8
437.33798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45817	0.2
51.02389	0.3
53.03951	1.1
53.60643	0.2
55.01878	0.2
55.05496	0.2
65.03934	0.4
66.77160	0.2
67.05501	0.4
67.98652	0.1
68.99776	0.2
69.03435	0.4
69.56789	1.0
69.57199	0.4
77.03931	0.5
81.03419	1.3
82.23560	0.2
83.05019	0.3
85.02904	0.6
87.00838	0.3
87.09300	0.2
93.07095	0.2
95.04978	2.8
95.08631	0.3
97.02893	1.2
98.20718	0.3
102.04691	0.5
103.05476	48.8
104.05814	0.5
104.81516	0.2
105.04552	0.5
107.08590	0.3
107.78397	0.2
109.02859	0.2
109.10159	0.2
111.04442	0.4
117.03503	0.2
121.02882	2.8
125.02357	0.7
127.03925	0.4
131.04939	100.0
132.05255	0.8
135.11696	0.4
139.03911	0.8
145.04955	0.2
145.44810	0.2
147.04491	0.2
149.05989	2.0
157.04993	0.4
167.03441	0.9
177.05592	0.2
185.04454	2.2
217.53802	0.2
249.26935	0.2
256.32492	0.2
271.04486	0.7
289.05463	0.3
310.14108	0.2
419.09607	0.7
437.14108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03941	0.8
53.66726	0.2
56.95236	0.2
63.02343	0.2
65.03934	0.3
67.05489	0.4
69.03434	0.4
71.04643	0.5
72.51461	0.2
77.03934	0.5
80.20678	0.2
81.03424	1.1
82.79003	0.2
83.04986	0.5
87.00845	0.4
93.03426	0.3
95.04974	2.0
97.02898	1.6
102.04670	0.3
103.05471	37.7
104.05815	0.3
105.04520	0.2
109.02887	0.6
111.04414	0.5
121.02871	4.6
125.02345	1.6
126.28185	0.3
127.03949	0.4
131.04932	100.0
132.05228	1.1
139.03925	0.8
149.05994	2.0
157.04976	0.4
167.03349	1.4
169.59428	0.2
185.04460	2.5
193.73643	0.2
239.65883	0.2
250.61685	0.2
261.06097	0.3
271.04520	0.6
289.05609	0.4
353.64987	0.2
401.08508	0.5
419.09567	1.7
437.21603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.1
55.01867	0.5
55.05490	0.9
57.07066	0.5
58.93658	0.3
65.03930	0.6
67.05058	0.3
67.05490	1.4
69.03426	1.0
69.07060	1.1
70.35130	1.4
71.04996	0.6
76.54238	0.4
77.03915	0.6
79.05508	0.9
81.03410	1.8
81.07047	1.6
83.04975	1.1
85.02889	1.2
91.05479	1.2
93.03399	1.1
93.07050	1.3
95.04967	3.5
95.08617	1.0
97.02911	2.0
102.04666	0.5
103.05466	36.9
105.07040	0.8
107.08585	1.7
109.02879	0.7
109.10149	1.1
109.32179	0.4
111.04434	1.0
119.08590	1.1
121.02868	6.6
121.10168	0.4
123.04412	0.6
123.11716	0.5
125.02324	2.7
127.03909	0.7
131.04927	100.0
132.05258	1.2
133.10156	0.8
135.08092	0.4
135.11652	0.4
139.03918	1.3
143.08609	0.6
149.06012	2.6
149.09550	0.4
153.12674	0.8
154.13051	0.8
159.11769	0.9
167.03395	3.1
185.04440	5.1
203.05399	0.5
208.49924	0.4
231.35005	0.4
263.09238	0.4
271.04388	0.6
311.42984	0.4
333.09830	0.4
419.09973	1.9
436.32651	0.9
437.34567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.4
51.02378	0.4
51.41981	0.3
52.52676	0.3
53.03937	1.0
55.01865	0.6
55.05503	0.6
65.03932	0.9
67.05500	1.7
68.28740	0.3
69.03436	0.9
69.07059	0.7
69.26878	3.6
77.03936	0.5
79.05508	0.6
81.03417	1.3
81.07052	1.3
83.04977	0.7
84.38426	0.3
85.02897	0.9
91.05501	0.6
93.03398	0.7
93.07046	1.4
95.04970	3.6
95.08618	2.2
97.02898	2.2
97.06532	0.4
98.20705	0.6
102.04633	0.3
103.05476	35.5
104.05779	0.3
105.04532	0.3
105.07033	1.2
107.08592	1.1
109.02888	0.6
109.10165	1.6
111.04445	1.1
117.07038	0.4
119.08597	1.3
121.02874	7.2
121.10162	1.0
123.04436	0.3
123.11739	0.5
125.02351	2.5
127.03955	0.6
131.04935	100.0
132.05302	0.9
133.10115	0.9
135.11728	0.8
139.03893	1.5
143.08617	0.3
145.10135	0.9
147.11685	0.7
149.05998	1.9
153.12711	0.5
155.03415	0.4
157.10153	0.3
159.11716	0.8
161.13245	0.4
167.03394	3.0
169.10094	0.3
171.11751	0.4
171.13802	0.4
173.13327	0.5
176.08281	0.4
177.05519	0.4
181.04926	0.4
185.04478	6.2
187.14796	0.3
189.16324	0.5
197.13200	0.4
199.14795	0.6
201.16400	0.5
203.05493	0.4
203.18007	0.4
207.10208	1.1
213.16469	0.4
215.18025	0.5
257.19061	0.4
271.04645	0.7
289.05536	0.4
315.08792	0.4
401.08655	0.4
418.04529	0.3
419.09781	2.2
419.14761	0.3
437.21481	0.6
437.34412	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63055	0.5
55.05490	0.8
56.96561	1.0
57.03425	0.6
62.50719	0.5
68.71478	0.6
69.03432	1.1
70.06601	1.0
71.60230	1.0
72.08168	2.3
73.41719	0.6
74.06059	0.7
79.05527	0.6
81.07053	0.7
83.04985	0.8
85.02914	1.2
85.06505	0.5
86.09684	1.2
91.05476	2.6
93.07023	1.1
95.04988	0.7
97.02871	1.0
103.05473	1.0
107.08591	1.3
109.10172	0.8
119.04972	1.2
120.08108	1.7
123.01263	0.7
127.03955	0.7
131.04942	3.3
134.83136	0.6
135.11697	0.9
147.04425	5.3
148.02008	0.6
148.04730	0.9
153.12740	1.5
163.00148	0.5
171.11397	0.7
179.08562	0.6
207.08093	1.3
235.07645	1.6
239.02440	0.8
261.07370	10.8
261.09973	1.1
263.07019	2.5
267.13324	0.9
291.06549	4.1
303.08417	1.0
391.09619	0.6
424.53738	0.7
426.82272	0.6
437.10580	100.0
438.10901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	47.0
56.96570	67.8
57.03431	15.0
57.07085	13.8
67.05495	54.5
68.05832	13.2
69.07058	33.5
69.52538	7.2
69.99754	27.2
70.00164	17.7
79.05495	42.4
80.05856	8.8
81.07059	68.6
82.07413	11.6
83.04990	39.4
83.08612	14.3
91.05475	35.7
93.07047	51.2
94.07408	12.5
95.04964	23.0
95.08613	100.0
96.08958	12.9
97.06521	12.7
97.10201	10.5
98.20801	7.5
98.98483	36.2
103.05495	8.6
105.07047	45.8
106.07382	12.4
107.08607	84.1
108.08952	9.0
109.06514	9.4
109.10151	71.5
110.10517	12.8
111.04461	12.3
111.08060	15.1
114.74821	9.1
117.07069	10.0
119.08601	91.6
120.08948	18.2
121.10128	36.1
122.10463	8.8
123.08057	12.5
123.11726	25.7
131.08563	24.0
132.90044	7.7
133.10112	55.5
135.08086	8.2
135.11703	23.7
137.09641	21.6
142.07816	8.9
143.08533	16.6
145.10121	32.7
146.10658	9.7
147.11711	43.5
148.12035	10.0
151.07610	8.0
151.11206	11.5
155.01025	24.3
155.08557	11.1
157.01692	14.3
157.10086	33.9
159.11691	34.6
161.13289	21.4
167.44507	8.3
169.10144	21.6
171.11740	11.7
173.13281	26.5
174.13750	9.2
175.02789	67.2
183.11641	10.9
185.13293	14.9
187.14868	12.2
189.16318	9.5
191.10596	9.5
193.03845	47.2
197.13217	10.7
199.14909	11.8
239.17850	11.7
255.20987	10.1
259.16760	9.6
275.20111	14.8
282.27948	13.3
283.20441	12.6
299.19971	8.6
300.20313	9.8
301.21533	71.4
317.21201	18.7
318.21402	17.7
319.22485	73.8
338.27689	49.3
393.23904	17.6
455.20822	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	436.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63416	2.9
55.01894	2.5
55.05517	20.5
55.05742	3.1
57.07081	7.2
59.04998	4.8
59.24591	3.1
59.87843	3.7
59.94310	3.2
67.05505	30.3
69.03429	3.8
69.07074	20.4
69.82824	20.2
76.49430	3.0
79.05489	13.8
81.07069	41.9
83.04980	11.0
83.08620	10.6
85.06555	3.9
91.05495	13.2
92.07410	3.5
93.07047	46.1
95.04971	5.0
95.08614	100.0
97.06548	7.6
97.10141	7.9
98.98503	5.0
105.07027	29.6
107.08597	63.4
109.06516	3.4
109.10159	56.0
111.04472	8.4
111.08086	8.8
114.09215	3.3
119.08585	71.7
121.10152	48.5
123.08070	9.0
123.11697	20.1
125.05898	4.7
125.09643	3.2
131.08556	12.0
133.10143	49.0
135.11705	28.8
137.09648	10.5
137.13268	5.0
143.08556	10.8
145.10123	26.5
147.08040	3.5
147.11697	35.3
149.13272	12.2
151.11166	9.8
157.10136	12.8
159.11696	24.7
161.13284	27.8
163.14836	17.2
169.10152	9.0
171.11754	11.8
173.09685	3.8
173.13237	17.5
175.14847	10.2
181.12257	6.7
183.11708	6.4
185.13260	7.1
187.11267	6.3
187.14795	17.4
189.16396	5.6
191.18016	6.5
193.12326	5.7
197.13216	6.5
199.14861	5.3
201.12729	3.9
201.16466	9.1
203.14503	3.4
203.17924	26.5
207.13831	9.8
211.14931	4.9
213.16449	6.1
215.17999	3.9
219.13748	3.4
221.15431	3.5
229.19504	3.6
231.13728	3.6
233.15344	6.4
239.17963	7.4
241.19382	4.5
243.21260	6.1
245.15364	3.6
257.19098	9.1
257.22589	23.2
259.17090	5.3
265.39163	3.9
265.69351	3.2
275.20026	12.6
281.18954	6.0
283.20343	4.3
285.22159	14.2
289.21439	3.2
299.20074	24.5
301.21722	14.9
303.23184	59.3
317.21109	48.3
319.22659	15.7
324.31351	3.2
338.27838	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	436.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63416	2.9
55.01894	2.5
55.05517	20.5
55.05742	3.1
57.07081	7.2
59.04998	4.8
59.24591	3.1
59.87843	3.7
59.94310	3.2
67.05505	30.3
69.03429	3.8
69.07074	20.4
69.82824	20.2
76.49430	3.0
79.05489	13.8
81.07069	41.9
83.04980	11.0
83.08620	10.6
85.06555	3.9
91.05495	13.2
92.07410	3.5
93.07047	46.1
95.04971	5.0
95.08614	100.0
97.06548	7.6
97.10141	7.9
98.98503	5.0
105.07027	29.6
107.08597	63.4
109.06516	3.4
109.10159	56.0
111.04472	8.4
111.08086	8.8
114.09215	3.3
119.08585	71.7
121.10152	48.5
123.08070	9.0
123.11697	20.1
125.05898	4.7
125.09643	3.2
131.08556	12.0
133.10143	49.0
135.11705	28.8
137.09648	10.5
137.13268	5.0
143.08556	10.8
145.10123	26.5
147.08040	3.5
147.11697	35.3
149.13272	12.2
151.11166	9.8
157.10136	12.8
159.11696	24.7
161.13284	27.8
163.14836	17.2
169.10152	9.0
171.11754	11.8
173.09685	3.8
173.13237	17.5
175.14847	10.2
181.12257	6.7
183.11708	6.4
185.13260	7.1
187.11267	6.3
187.14795	17.4
189.16396	5.6
191.18016	6.5
193.12326	5.7
197.13216	6.5
199.14861	5.3
201.12729	3.9
201.16466	9.1
203.14503	3.4
203.17924	26.5
207.13831	9.8
211.14931	4.9
213.16449	6.1
215.17999	3.9
219.13748	3.4
221.15431	3.5
229.19504	3.6
231.13728	3.6
233.15344	6.4
239.17963	7.4
241.19382	4.5
243.21260	6.1
245.15364	3.6
257.19098	9.1
257.22589	23.2
259.17090	5.3
265.39163	3.9
265.69351	3.2
275.20026	12.6
281.18954	6.0
283.20343	4.3
285.22159	14.2
289.21439	3.2
299.20074	24.5
301.21722	14.9
303.23184	59.3
317.21109	48.3
319.22659	15.7
324.31351	3.2
338.27838	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	436.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81451	4.1
53.03936	4.4
55.05516	55.4
67.05509	31.1
67.39823	4.1
69.07061	15.2
70.73602	11.7
79.05489	19.2
81.07069	44.8
83.04978	100.0
83.08609	6.6
87.17011	3.6
91.05478	18.4
93.07040	38.9
95.08603	65.7
96.08936	4.4
98.98442	5.1
105.07022	41.7
107.08593	61.4
109.06517	7.1
109.09444	6.4
109.10149	54.3
111.04481	5.5
111.08083	5.2
117.07024	7.6
119.08573	66.9
121.10140	38.9
123.08035	7.6
123.11697	18.8
125.31107	3.8
129.06967	3.5
131.08562	13.5
133.10135	51.4
135.11690	12.4
135.51878	4.3
137.09642	21.0
139.07561	4.4
141.07013	4.9
143.08566	15.7
145.10123	28.9
147.11696	61.9
148.11974	3.7
149.13326	11.7
151.11209	9.6
155.10686	5.1
157.10162	19.7
159.11688	21.1
161.13220	21.3
163.11183	3.8
163.14825	13.5
165.12752	4.8
167.10684	4.1
169.10123	17.2
171.11716	16.8
173.13266	11.9
175.11195	11.1
175.14809	7.0
183.11690	6.4
185.13307	13.9
187.14828	7.2
193.12215	27.0
197.13249	6.7
199.14838	5.6
201.12726	4.7
201.16386	5.4
205.12265	7.5
207.13797	4.6
213.12717	5.2
217.19490	8.3
217.67310	4.3
219.13835	14.5
231.13843	8.6
239.18030	8.0
241.19577	12.1
245.15398	15.3
247.17047	3.9
259.20578	4.6
265.19601	4.4
273.22263	4.0
283.20529	7.1
289.21442	3.8
291.23438	4.2
293.17462	15.1
301.21564	69.4
302.22000	9.1
303.22125	8.3
314.32013	4.1
315.70160	4.5
319.22656	82.1
338.27655	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17296	1.0
55.01886	1.1
55.05524	6.0
56.96569	4.0
57.07072	2.6
67.05505	12.0
69.07079	6.3
70.06588	1.9
70.95967	1.9
74.40198	0.9
79.05490	6.1
81.07059	13.0
83.04979	1.8
83.08620	3.7
85.68441	0.9
88.07610	1.6
91.05484	9.8
93.07045	18.1
95.04951	2.2
95.08609	48.8
97.10191	1.6
102.09151	1.1
105.07034	13.0
107.04942	2.3
107.08593	22.4
109.06493	1.9
109.10150	20.4
111.04443	2.9
117.07027	2.0
119.08573	20.1
119.09363	1.6
121.10151	16.3
123.08094	1.3
123.11686	7.8
123.12453	1.1
125.05989	5.1
129.06989	2.0
131.08601	5.1
133.10112	15.0
135.08089	1.5
135.11700	11.8
137.05980	2.9
139.07549	1.3
142.07782	2.0
143.08624	5.3
145.10146	8.3
147.11662	8.6
148.11980	1.6
149.13246	5.6
150.96417	1.0
156.09297	1.4
157.01761	1.5
157.10109	5.2
159.11696	8.1
161.09575	2.1
161.13248	7.1
163.03880	9.0
163.14842	2.9
165.09152	1.2
166.56281	1.4
169.10077	3.0
171.11736	5.4
173.09612	1.7
173.13300	4.7
175.02776	7.1
175.14929	1.6
179.10692	3.8
183.11716	1.7
185.09604	1.3
185.13298	5.6
187.11211	3.6
187.14801	1.8
191.10709	2.5
191.17889	1.1
193.03853	3.7
197.13229	1.8
199.11191	1.5
199.14861	4.2
201.12727	1.8
201.16422	3.8
203.18002	4.2
205.12248	4.4
207.06526	8.6
211.14769	1.1
213.12877	2.7
213.16440	1.7
217.12294	2.8
219.13757	2.1
221.15285	1.5
227.14400	1.6
231.13876	5.4
239.18060	3.3
241.19469	3.8
245.15450	3.4
255.21056	5.1
256.26453	6.0
265.19620	1.5
283.20581	6.5
299.20288	1.4
301.21619	100.0
302.21841	2.0
347.69711	1.2
436.30557	12.7
443.21011	1.1
453.35779	1.1
455.20853	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	436.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.9
57.07079	54.7
63.12110	1.6
63.34667	1.6
67.05505	6.5
69.03433	2.2
69.07063	7.2
70.06599	1.9
71.49634	2.6
71.49974	2.9
77.78860	1.8
79.05491	8.2
81.07059	13.0
83.04960	2.3
85.06528	9.9
85.64372	1.6
89.55548	1.6
91.05486	11.6
93.07045	18.6
95.04940	2.5
95.08579	8.3
97.02888	2.3
99.08102	36.4
102.09194	2.2
105.07034	32.0
105.07690	3.2
107.08595	29.6
109.06531	4.5
109.10134	4.9
111.04429	3.6
114.74054	1.7
119.08589	18.3
121.06544	2.8
121.10149	18.2
123.08080	4.9
123.11713	2.1
125.09631	100.0
131.08534	2.8
133.10132	14.5
135.11722	2.2
137.05998	6.4
137.09622	2.6
138.12543	1.5
142.07790	2.5
145.10147	3.5
147.11699	40.2
149.13257	12.5
151.07533	4.7
151.11185	2.1
157.10085	3.1
158.46074	1.8
163.03922	11.3
163.11179	3.3
165.12811	7.3
175.11198	22.0
193.12230	36.0
193.13841	2.9
207.06508	12.9
211.13310	35.2
256.26413	7.6
295.19064	42.4
299.20117	2.1
317.21204	3.5
335.22162	16.8
419.28006	22.0
436.30640	13.3
437.23093	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53320	2.0
53.03941	5.7
55.01874	5.7
55.05505	3.6
57.03431	7.7
61.02921	7.0
61.66067	2.1
67.05507	13.3
68.99784	2.7
69.03436	30.9
69.07065	7.7
70.74557	7.1
71.04989	4.7
73.02910	6.4
79.05489	3.7
81.03419	19.4
81.07060	30.2
83.04938	2.4
85.02910	100.0
85.06514	2.2
87.00832	39.6
91.05478	5.6
93.07045	26.3
95.04981	3.5
95.08609	29.0
97.02889	33.9
97.06547	4.5
99.04446	11.5
100.02312	1.9
103.05454	2.3
105.01871	99.2
105.07032	5.1
106.02925	4.4
107.08602	23.2
109.02887	22.9
109.10159	88.9
111.04461	3.4
119.08545	2.6
121.02892	2.4
121.31317	2.0
121.42103	2.4
124.03944	8.6
125.09701	2.4
125.13309	4.7
127.03926	67.9
128.06212	2.3
129.01830	2.4
133.10161	3.1
135.11703	45.1
137.13255	17.2
143.08549	4.7
145.04974	20.9
147.26743	2.5
151.03925	43.4
151.05075	5.2
153.09135	3.8
153.12747	61.4
159.02910	7.6
161.05978	2.9
164.75845	2.2
167.07106	3.8
171.10156	2.6
177.05481	3.6
189.03931	4.0
197.08047	3.7
213.04059	4.4
216.11205	2.4
231.04977	31.5
239.12692	2.4
249.06071	30.9
250.07127	4.3
250.96341	2.1
261.14792	3.1
268.08115	4.2
365.16006	3.3
375.10620	4.2
383.16882	11.6
393.11472	4.1
436.22433	5.6
437.10526	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	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.5
55.01862	8.5
55.05510	8.1
57.03432	7.2
59.04984	4.4
61.02911	7.6
61.11186	3.6
69.03435	41.4
69.07057	11.2
69.57350	30.1
71.04981	13.8
73.02899	9.0
79.05495	9.9
79.21139	4.2
81.03416	35.1
81.07049	32.6
85.02898	79.8
87.00827	48.2
91.05479	12.8
93.07051	42.2
95.04967	3.7
95.08598	12.3
97.02892	64.1
97.06522	12.4
99.04441	15.8
104.91342	4.0
105.01862	54.0
105.07015	10.8
107.08581	48.6
109.02880	23.1
109.10112	8.2
111.04429	4.9
117.01775	4.3
123.08034	3.9
127.03914	63.8
129.01834	5.0
134.96094	3.8
135.11682	72.9
137.13240	10.7
145.04967	43.6
153.12730	100.0
159.02887	9.5
167.07028	5.5
171.13803	20.1
181.04970	4.5
213.03998	5.3
228.46692	4.4
231.05051	17.0
249.06105	10.0
251.98067	4.2
261.14816	17.4
347.15015	8.9
365.15988	7.7
436.17255	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01873	1.9
55.05260	1.3
55.05513	19.6
55.26699	1.0
57.03437	2.2
61.02920	2.4
62.48729	1.0
67.05493	1.6
69.03426	14.2
69.07065	1.3
69.42931	0.8
69.93756	4.7
70.06586	4.4
71.04990	9.5
72.51276	0.8
73.02907	1.6
79.05475	2.5
81.03410	6.7
81.07065	4.3
83.08617	100.0
84.04515	1.0
84.08137	0.8
84.08936	0.9
85.02902	36.7
85.06532	2.5
86.03271	1.1
86.09702	1.9
87.00833	17.6
91.05492	2.2
93.07043	8.4
95.04938	1.2
95.08614	2.2
97.02896	17.3
97.06538	1.2
98.21471	1.0
99.04459	4.6
100.11274	3.2
103.05431	0.9
105.01865	57.9
105.07031	2.5
107.08612	6.6
109.02869	7.9
109.10168	3.3
123.11734	1.5
124.12052	1.3
127.03918	29.9
129.01872	1.5
131.01613	1.0
131.08517	1.2
133.10136	1.6
135.11681	8.6
145.04956	16.2
149.09592	1.6
150.09975	1.2
152.11514	1.0
153.12703	7.4
159.02904	3.5
163.03842	1.7
167.07060	1.3
171.02791	0.9
177.05513	1.3
179.70947	0.9
210.15002	1.4
213.03944	1.6
230.08885	1.1
231.04988	15.0
249.06062	22.7
274.11597	2.0
283.59048	1.1
284.09756	2.4
303.04968	2.4
304.05399	1.1
377.01794	1.1
436.33557	3.4
437.14398	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01859	4.3
55.05504	5.4
56.96545	1.8
57.03444	7.1
61.02915	4.5
65.86148	1.5
67.05508	7.1
69.03434	30.6
69.07056	4.5
69.44072	14.9
70.06582	2.5
71.04985	4.2
72.08157	3.0
73.02910	4.2
79.05495	10.2
81.03422	14.4
81.07060	12.2
83.04964	4.8
83.08614	1.9
85.02910	83.6
86.09702	3.1
87.00836	33.7
91.05488	6.0
93.07042	36.8
95.04958	1.6
95.08611	10.5
96.04501	3.3
97.02898	20.6
97.06541	1.9
97.10176	1.7
98.97582	2.8
99.04465	8.5
103.05407	2.5
105.01869	100.0
105.07040	2.6
106.02924	4.4
107.07869	3.2
107.08595	54.7
109.02881	21.5
109.10165	16.0
111.04434	2.8
119.04951	1.4
120.08098	4.8
121.06477	2.7
123.04406	1.5
124.03949	13.0
124.09855	1.5
127.03922	55.7
129.01898	2.4
129.05580	1.8
131.04942	1.9
135.11694	44.7
145.04958	19.3
147.04391	4.6
151.03909	32.0
151.05084	1.7
153.12750	53.2
159.02916	3.4
167.07001	2.1
171.08075	1.7
171.13799	3.2
177.27893	1.4
189.03906	3.3
194.99828	1.6
213.03989	3.2
223.56927	1.4
231.05019	28.0
235.07564	4.1
244.06136	6.5
249.06100	34.5
250.07076	3.3
257.13815	1.8
263.06989	5.4
268.08267	2.5
291.06607	7.0
436.16800	2.9
436.22101	2.7
437.12283	1.7
438.16132	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.5
50.03718	0.5
53.03945	2.5
53.21504	0.4
55.01874	2.8
55.05516	1.1
57.03428	2.0
61.02920	1.2
63.18626	0.4
65.03939	0.7
67.05511	3.0
68.99787	1.1
69.03434	9.6
69.07063	2.0
71.04980	1.4
73.02921	2.4
77.03925	0.5
79.05489	3.2
81.03422	8.3
81.07053	5.7
83.04979	0.9
84.27805	0.5
85.02909	24.6
87.00834	10.9
91.03975	0.6
91.05480	1.7
93.07042	6.2
95.04974	3.1
95.08609	3.5
97.02896	12.2
97.06523	0.5
98.20737	1.0
99.04477	3.5
103.05473	36.1
105.01870	12.1
105.02566	0.8
105.07030	1.4
107.08589	6.3
109.02885	8.8
109.10165	7.0
111.04472	1.2
115.03924	0.9
117.01852	1.0
118.31793	0.5
119.08636	0.6
121.02877	6.8
121.10155	1.6
123.04426	0.6
125.02372	2.9
127.03920	20.6
129.01854	0.9
131.04933	100.0
133.10126	1.7
135.11693	19.0
135.19971	0.6
136.12057	0.4
137.13258	2.6
139.03915	1.8
145.04962	9.0
147.02866	0.6
149.06036	2.5
153.12747	3.4
158.76759	0.4
159.02895	5.9
167.03346	2.3
171.13774	0.9
181.12253	0.8
185.04478	4.8
213.03947	1.0
222.46101	0.5
229.16229	0.5
231.05035	5.1
249.06100	0.9
261.15005	0.8
309.27094	0.5
316.16409	0.6
332.95459	0.4
335.14722	0.5
347.15106	0.7
365.16086	0.8
401.08597	0.7
419.09854	2.4
437.10538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.5
55.05508	1.5
59.04988	1.2
67.05503	0.6
69.03440	1.4
69.07056	1.4
70.88783	1.0
71.04989	10.1
73.06557	2.7
79.05497	2.9
81.03413	0.8
81.06577	0.7
81.07056	13.8
83.70805	0.3
85.02900	3.1
87.00810	1.3
91.05473	1.3
93.07043	8.9
95.04974	0.3
95.08588	1.5
97.02882	1.1
97.06523	0.9
99.04447	0.4
105.01865	2.7
105.07021	0.4
107.07864	0.4
107.08592	6.9
109.02866	0.8
109.06476	0.3
109.10155	1.3
123.79282	0.3
127.03912	1.7
133.08800	0.3
135.11694	15.8
145.04961	0.8
152.02597	0.3
153.12743	100.0
154.13124	1.5
163.44214	0.3
168.71429	0.3
169.72455	0.3
185.77879	0.3
201.17467	0.4
231.04970	0.5
249.06073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.1
55.01879	10.5
55.05507	5.8
56.96564	2.8
57.03436	8.9
57.07058	1.9
59.04979	3.1
61.02937	11.2
61.03201	2.2
62.84283	2.4
64.38776	2.0
65.03957	2.6
67.05491	8.9
68.99802	5.4
69.03083	2.7
69.03432	41.6
69.07062	9.5
71.04982	6.4
71.59797	3.1
73.02924	10.4
79.05500	18.7
81.03421	41.6
81.07063	22.0
83.05011	3.4
83.08643	3.5
85.02910	100.0
86.29681	2.0
87.00830	38.3
91.03923	3.5
91.05475	10.7
93.07044	38.2
95.04971	5.9
95.08611	12.3
97.02893	47.1
97.06526	7.3
99.04443	19.7
105.01874	47.0
105.07054	9.4
107.04953	5.1
107.08595	29.7
109.02875	36.4
109.06501	2.6
109.10130	6.1
111.04409	2.9
112.85657	2.1
115.03957	5.7
117.01871	5.2
119.07775	2.6
119.08591	6.8
121.10133	5.4
123.04459	3.6
123.08099	4.5
123.11734	3.0
127.03921	86.2
129.01849	5.3
131.04933	6.8
131.08533	5.3
133.10164	2.8
135.11705	64.9
137.05936	2.6
137.13298	3.9
145.02895	3.7
145.04968	42.4
145.10165	5.4
147.02881	4.5
147.11705	2.8
153.12755	6.2
155.08615	2.1
157.10181	3.4
159.02893	24.8
159.11688	4.1
161.04495	3.5
161.06032	2.5
161.13345	3.5
162.94460	2.7
163.03902	5.3
167.07060	13.1
168.07399	10.8
177.05424	5.1
181.04933	19.8
182.05313	12.2
224.69273	2.1
231.04951	12.2
233.08096	7.4
234.08562	10.7
239.16411	2.4
243.13936	2.6
259.09714	5.2
261.14832	2.2
274.20331	2.5
330.10950	3.1
388.14655	3.2
392.14026	4.8
418.15512	10.9
436.12817	17.4
436.27557	3.0
436.32666	11.6
440.57632	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
53.89825	1.8
55.01865	1.9
61.02911	1.8
67.05494	6.2
67.88435	1.7
69.03416	7.7
70.20601	3.6
70.20993	5.3
71.04979	1.7
73.02960	1.6
81.03408	5.1
81.07045	7.2
85.02899	15.4
87.00819	6.9
91.05509	2.9
93.07047	5.1
95.08598	2.5
97.02894	10.7
99.04469	3.0
103.05439	2.8
105.01882	5.2
107.08593	7.1
109.02848	4.3
109.10152	100.0
127.03932	10.6
131.04915	9.7
135.11678	14.9
137.13214	9.2
145.04953	5.2
151.11166	2.8
153.12735	3.7
159.02795	2.6
163.11198	2.7
219.13892	3.3
231.04922	1.9
261.14801	4.5
350.75525	2.0
365.15912	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01870	3.5
55.05507	2.4
57.03429	3.9
60.99153	1.4
61.02925	3.2
67.05505	6.0
69.03432	16.9
69.07063	4.7
70.06582	5.9
71.04980	2.9
71.59018	2.2
72.08138	2.5
73.02928	2.0
79.05495	6.3
81.03419	14.8
81.07062	9.9
83.83688	1.6
85.02911	43.0
86.09718	6.8
87.00839	13.3
91.05484	9.4
93.07057	12.3
95.04948	2.4
95.08617	6.8
97.02907	19.7
98.97607	3.7
99.04458	5.7
105.01863	20.1
105.07030	3.4
107.08592	13.2
109.02868	11.3
109.10160	100.0
110.10494	2.8
110.93480	1.7
111.04482	1.6
116.07066	1.7
116.85571	1.5
116.98597	1.9
117.01789	2.1
117.03405	1.7
119.08593	2.2
120.08118	5.0
121.10136	6.0
123.11723	3.8
127.03920	34.7
127.59854	1.7
131.08571	1.6
133.10127	4.6
134.10435	1.8
135.11707	26.2
136.12019	1.6
137.06012	2.0
137.13274	6.8
139.11198	2.4
143.08559	2.3
145.02817	2.6
145.04979	13.7
145.74867	1.5
146.99673	1.8
151.11154	4.8
153.12750	7.1
159.02901	6.8
163.11171	3.9
165.12749	2.2
167.07053	2.4
169.12143	1.9
171.13847	2.5
175.11295	1.7
177.05544	3.7
181.04991	3.9
182.05264	1.9
189.09084	2.7
231.05040	8.5
243.13884	3.1
245.52727	1.5
249.06287	1.7
261.14917	3.3
327.07547	5.1
375.10593	2.3
383.17252	2.9
393.11874	2.3
407.75604	1.9
418.15814	2.5
436.16809	2.5
436.22232	2.2
437.10147	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
56.56857	1.1
57.03438	1.4
67.05500	1.3
69.03430	5.6
69.07070	3.2
70.88277	1.7
70.88619	2.0
71.04984	12.8
73.02919	1.3
73.06535	1.8
73.25872	1.1
79.05492	3.6
81.03422	5.0
81.07051	14.0
85.02901	17.6
87.00830	8.1
91.05455	2.0
93.07047	11.3
93.37241	1.2
95.08593	2.7
97.02888	11.2
99.04453	3.4
105.01860	11.0
105.07053	2.3
107.08597	10.4
109.02894	6.1
109.06545	2.7
109.10162	3.3
112.88264	1.1
119.08554	1.6
127.02411	1.1
127.03924	14.0
129.01878	1.3
131.04950	3.2
135.11693	19.6
143.08612	1.3
145.05016	5.7
153.12744	100.0
154.13055	1.8
159.02879	3.7
166.41502	1.2
173.09621	2.3
177.12782	2.7
188.07887	1.7
189.04007	1.5
189.09087	12.7
195.13747	2.1
219.13820	1.5
231.04999	3.3
237.14980	1.6
261.14847	3.6
268.43732	1.1
271.12918	1.6
347.14767	2.4
358.40918	1.3
365.15994	2.0
383.17038	3.7
401.18121	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01870	3.2
55.05515	6.4
57.03451	3.6
61.02922	3.5
65.44580	2.7
67.05503	7.6
69.03423	17.6
69.07087	14.5
69.86040	13.8
69.86455	5.3
71.04986	8.7
73.02908	3.6
73.67599	2.4
79.05496	6.8
81.03420	12.4
81.07063	17.8
83.08627	4.6
85.02908	40.8
87.00850	18.3
90.10033	2.7
91.05495	8.2
93.07072	19.8
95.08604	27.0
97.02901	28.9
97.06535	4.0
99.04469	6.5
105.01872	21.7
105.07025	4.0
107.08589	30.5
109.02888	10.5
109.10160	11.1
119.08600	12.0
123.11704	3.0
125.13280	5.5
127.03914	39.1
131.04924	3.9
133.10190	4.8
135.11681	44.2
143.10722	3.6
145.04955	19.0
145.21918	2.6
147.04428	3.4
147.11693	5.1
149.13248	3.6
153.12732	32.1
159.02925	6.0
203.17998	11.8
221.19038	8.6
231.05048	3.1
246.65474	2.7
249.06117	5.2
350.12512	3.6
375.06995	3.1
392.14047	25.8
393.14081	4.3
436.13004	100.0
437.13342	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
59.04996	1.4
67.05505	0.7
69.03432	1.4
69.07062	1.0
69.96535	1.3
69.96942	2.0
71.04991	10.9
73.06553	3.4
73.29765	0.6
79.05491	3.2
81.03428	0.6
81.07059	14.8
85.02911	3.6
87.00835	2.1
91.05471	1.4
93.07049	8.4
95.08600	1.5
97.02885	1.8
97.06509	0.6
98.20723	0.6
105.01862	2.3
107.08591	6.9
109.10161	2.1
127.03912	2.0
135.11700	16.6
153.12747	100.0
154.13106	1.7
167.35957	0.6
249.61536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59040	1.5
53.03949	8.1
55.01863	4.3
55.05501	3.2
57.03423	4.4
61.02917	4.6
65.03920	1.8
67.05502	4.5
68.99770	2.2
69.03428	21.4
69.07066	3.2
69.73213	7.1
71.04988	3.6
73.02914	14.0
77.03940	1.3
79.05502	12.5
81.03422	21.4
81.07064	11.1
85.02905	62.0
87.00300	1.5
87.00832	24.0
91.03938	2.6
91.05482	17.3
92.69366	1.1
93.07040	81.6
95.04961	4.7
95.08590	9.2
97.02890	22.6
97.06521	5.3
97.56390	1.3
99.04450	8.8
105.01867	29.2
105.07008	5.8
107.08591	100.0
109.02881	19.6
109.06521	3.9
109.10118	7.4
111.11732	1.3
115.03919	2.1
117.01869	2.6
119.06132	1.3
119.08556	2.1
127.03916	48.5
129.01834	3.2
131.04994	1.7
135.11691	67.0
137.13275	2.7
145.04959	29.5
147.02887	3.5
147.11731	2.0
151.11160	1.7
153.01794	1.2
153.12782	6.8
159.02895	18.2
163.11241	1.3
177.03902	1.4
177.12709	1.5
231.04968	12.6
243.13786	1.8
249.06032	2.4
261.14896	2.2
303.04980	10.9
304.01837	2.2
304.05316	36.8
305.05472	3.2
328.27966	1.1
358.39795	1.2
365.15979	1.6
383.16727	1.7
437.14124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01861	1.8
55.05500	1.6
57.03424	1.9
58.34346	0.8
59.04984	1.1
61.02916	2.3
67.05492	1.9
68.99789	1.2
69.03427	10.8
69.07053	3.6
69.40035	2.1
69.40438	5.3
70.51571	0.8
71.04988	14.1
73.02914	2.0
73.06552	2.8
77.74126	0.7
79.05503	4.0
81.03418	7.1
81.07059	14.0
82.94641	0.7
83.08615	1.5
85.02904	24.8
87.00831	13.8
91.05473	3.4
93.07042	15.8
95.04954	1.4
95.08595	2.9
97.02888	14.1
97.06521	1.1
98.20704	1.7
99.04452	2.4
103.05467	5.6
105.01869	16.3
105.07047	3.1
107.08591	10.5
109.02882	6.2
109.06506	3.2
109.10147	2.6
114.08458	0.8
115.03912	1.2
117.06985	1.3
119.08566	3.5
121.02847	1.0
121.06505	1.2
125.02312	0.8
127.03918	17.1
128.06194	0.9
129.01828	1.2
131.04924	16.0
135.11687	20.9
137.13271	1.6
143.08551	1.0
145.04950	8.3
145.10127	2.3
147.02876	1.2
147.11778	1.1
153.12744	100.0
154.13086	1.8
159.02881	3.5
159.11699	1.3
165.12778	1.8
167.07083	1.3
173.09624	2.2
173.13312	1.0
177.12714	3.4
181.04837	1.1
187.07520	4.1
188.07886	5.1
189.03946	1.1
189.09111	10.1
195.13766	5.2
207.13660	1.3
219.05000	1.4
219.13742	1.3
231.04909	4.0
233.08073	0.8
234.08362	1.2
237.14774	2.7
243.13791	2.2
249.06075	3.1
261.14856	3.6
312.67386	0.8
347.14990	1.2
365.15884	2.9
383.16980	4.5
401.18219	1.9
450.75931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
53.90083	1.0
55.01857	2.3
55.05493	2.4
57.03421	1.9
57.07072	1.2
61.02940	1.7
61.72239	1.0
67.05483	3.9
69.03425	13.0
69.07063	6.2
69.42971	3.3
69.43401	6.9
71.04974	4.4
73.02908	2.3
79.05473	4.4
81.03416	10.2
81.07053	13.4
83.04948	2.2
85.02430	1.7
85.02905	26.3
86.09634	1.2
87.00841	9.8
91.05467	6.4
93.07044	26.5
95.04960	3.8
95.08602	7.7
97.02884	15.9
97.06518	3.2
98.94212	1.1
99.04452	5.7
103.05460	35.2
105.01861	14.5
105.07010	3.1
107.08591	25.7
109.02894	7.1
109.06507	1.4
109.10110	3.9
111.89433	1.2
119.08587	1.7
121.02840	4.2
125.02420	1.4
125.13245	2.5
127.03905	23.5
129.01703	1.2
131.04926	100.0
132.60881	1.1
135.11684	36.4
137.13248	4.2
142.51508	1.1
145.04958	12.9
147.04417	1.3
149.05959	3.3
153.12726	22.5
159.02849	6.6
165.12761	2.2
167.03403	2.1
171.13797	1.3
185.04443	3.1
231.04953	5.2
249.06059	2.4
252.83554	1.3
261.14771	1.3
304.05289	2.7
330.11087	1.2
419.09790	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19978	1.9
53.03941	8.9
55.01873	5.9
55.05501	3.0
57.03434	4.6
57.07077	2.4
61.02919	4.9
65.03936	2.4
67.05493	9.8
69.03429	28.1
69.07080	4.5
70.92010	4.8
71.04986	3.0
73.02910	6.3
77.56292	1.8
79.05497	17.4
81.03423	20.0
81.07057	42.7
83.04906	2.4
85.02907	68.5
85.06546	4.6
87.00828	34.8
91.05480	20.8
93.07044	86.8
95.04952	7.9
95.08606	24.6
97.02900	34.2
97.06509	2.7
99.04452	11.7
103.03902	2.0
105.01868	54.4
105.07028	6.7
107.08597	100.0
108.08891	2.3
109.02902	16.7
109.06503	4.4
109.10172	5.7
115.03954	3.8
117.01891	3.0
119.08598	7.2
123.04443	3.9
126.40978	2.0
127.03915	50.3
135.11699	53.5
137.13240	13.6
143.08620	2.0
145.04955	28.2
153.12761	4.9
159.02936	14.6
161.04483	2.7
196.27222	2.2
213.04048	2.1
219.59749	2.2
231.04961	14.2
249.06050	9.7
261.15002	2.5
324.17523	2.2
347.14877	2.7
417.87076	2.5
437.14032	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	435.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	4.7
55.05513	66.9
56.05854	2.8
56.11542	2.3
56.96568	9.5
57.07083	3.5
57.40253	2.7
65.03968	3.0
67.05504	23.4
69.03433	3.6
69.07062	14.0
69.83839	13.1
69.84263	4.7
71.05017	3.3
79.05489	7.1
81.07061	18.2
83.04987	100.0
91.05500	12.2
93.07069	12.4
95.04982	31.2
95.08612	23.0
96.98247	2.8
97.06529	3.5
97.10167	2.9
105.07052	20.7
107.08591	27.1
109.06529	7.2
109.10152	14.3
111.04396	2.9
111.08106	4.3
117.07025	6.6
119.08594	33.3
121.06526	5.9
121.10166	21.1
123.08080	5.0
123.11710	9.2
125.06042	4.7
131.08545	8.1
133.10138	34.7
135.08066	49.8
135.11716	10.2
137.09656	3.1
143.08543	4.9
145.10139	15.0
147.08047	5.4
147.11739	11.5
149.09622	5.5
149.13300	6.2
150.85637	2.5
151.07573	5.5
156.09367	2.9
157.10149	11.1
159.08055	4.4
159.11726	14.1
161.09648	11.7
161.13287	9.0
163.11200	4.8
169.10074	4.7
170.10829	2.9
171.11731	8.6
173.09642	5.3
173.13300	16.8
175.02724	4.8
175.11179	16.5
175.14821	13.1
177.12772	7.2
177.16426	3.9
183.11665	6.4
185.13203	7.4
187.11304	6.3
187.14865	17.5
189.09290	3.0
189.12723	6.2
189.16417	7.0
191.14284	3.6
193.03926	5.7
197.13309	8.7
199.14885	8.7
201.12755	9.5
201.16368	5.3
203.14310	15.0
205.15891	13.6
211.14801	4.8
213.16510	4.7
219.13788	3.7
221.15445	9.8
227.18010	4.2
243.21126	6.5
245.19101	5.3
253.19586	8.1
257.19037	7.1
271.20584	20.2
281.19077	10.9
289.21567	6.8
297.18921	3.1
299.19995	29.4
300.20624	3.1
317.21048	25.3
435.27151	9.6
435.32825	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	435.2743
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
55.05510	59.9
65.03955	6.0
67.05508	42.2
69.07053	21.7
70.65002	12.5
72.74809	4.0
79.05500	14.2
81.07056	28.1
83.04982	100.0
83.08627	8.9
85.06498	4.1
91.05486	17.9
93.07044	24.3
95.04971	62.8
95.08599	44.2
97.06532	5.6
97.10152	7.5
101.06052	9.3
105.07022	31.5
107.08598	46.6
109.06534	13.4
109.10148	36.7
111.08100	7.7
117.07018	5.9
119.08582	76.0
121.06516	9.0
121.10142	52.9
123.08064	16.4
123.11696	12.0
125.05988	13.6
129.07076	5.6
131.08580	11.8
133.06482	5.0
133.10126	54.7
135.08060	99.6
135.11708	25.0
137.05984	6.4
137.09636	16.2
137.13245	5.4
139.07599	6.0
142.07845	5.1
143.08609	8.0
144.09398	5.4
145.06480	4.9
145.10117	27.1
147.08049	6.8
147.11670	27.8
149.09612	11.0
149.13263	8.7
151.07603	9.4
156.09274	5.2
157.10197	22.5
159.07997	7.4
159.11696	41.4
161.09633	20.0
161.13261	16.5
163.11127	9.1
163.14818	6.3
169.10124	11.0
170.10880	4.5
171.11723	19.2
173.09631	10.5
173.13277	28.3
175.11182	32.3
175.14836	20.1
177.12746	15.6
177.16409	7.9
183.11674	7.4
184.12611	4.7
185.13281	19.7
187.11209	12.6
187.14847	20.3
189.12834	12.5
189.16370	21.3
191.10823	5.1
191.14404	6.4
197.13303	14.4
199.14804	13.5
201.12697	20.6
201.16452	9.3
203.14284	31.0
205.12506	4.9
205.15849	21.5
209.13188	5.2
211.11276	4.5
211.14835	9.1
213.16429	9.7
215.14374	9.6
215.17874	5.1
217.15883	6.5
217.19429	5.5
221.15382	9.2
225.12709	6.7
227.18002	8.4
229.15921	4.4
239.14207	5.8
239.17897	10.5
243.21111	13.7
245.19081	13.3
253.19547	19.9
257.15372	4.5
257.19009	12.7
271.20612	37.0
275.19952	6.2
281.19019	15.7
289.18097	4.1
289.21548	19.1
299.20059	61.0
300.20538	6.5
302.93201	5.2
317.21167	63.5
335.22229	6.1
335.70358	5.0
435.27670	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	435.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11328	0.6
52.28044	0.6
55.05251	1.1
55.05502	9.4
56.96561	1.0
57.07066	2.7
60.49639	0.6
65.03931	1.4
67.05502	8.1
69.07067	15.0
70.06586	2.5
71.04988	1.5
71.08630	1.4
71.59356	0.9
75.56548	0.7
79.05487	3.7
81.07052	13.8
83.04971	2.8
83.08619	11.3
85.06547	1.2
91.05474	11.2
93.07035	7.2
95.04969	1.4
95.08598	12.6
97.06542	3.1
97.10163	12.2
99.08099	1.2
105.07032	4.4
107.08594	5.7
109.06499	0.7
109.10155	6.3
109.13873	0.6
111.08048	1.0
111.11706	5.2
115.07593	0.8
116.07050	0.7
116.94823	0.8
119.04939	21.6
119.08582	5.4
121.10144	7.1
123.08038	1.5
123.11720	2.5
125.09601	1.2
125.13284	1.6
128.11433	0.7
131.08583	1.2
133.10138	5.6
135.11690	6.9
137.05873	0.6
137.09602	1.0
137.13251	1.9
139.11185	2.4
141.09097	0.9
143.08559	0.7
143.10692	1.3
145.10141	1.0
147.04404	100.0
147.11690	5.1
148.04761	1.6
149.13226	1.3
151.11189	1.8
151.14824	2.3
153.12727	2.2
157.12263	1.1
157.19893	0.6
159.11694	1.2
161.13243	3.8
163.03937	1.3
163.14963	0.6
165.05481	15.8
165.12762	1.9
169.12302	0.7
171.11652	0.8
175.14851	2.8
179.14297	2.3
183.13835	0.9
186.45567	0.7
189.16429	0.6
191.17931	0.8
193.19507	1.5
217.19505	12.4
225.16635	0.6
235.20566	15.6
248.81485	0.6
253.21638	11.6
266.07578	0.7
271.22928	1.0
435.27319	1.8
435.33188	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	435.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05312	1.7
55.05513	17.5
57.03431	8.1
57.07079	3.7
67.05167	3.7
67.05505	42.0
68.78620	1.9
69.07072	20.0
69.89614	5.4
69.90028	4.9
79.05498	14.6
81.07055	42.2
83.04980	7.4
83.08640	11.4
91.05493	11.5
93.07037	15.4
94.07375	2.2
95.04932	2.4
95.08607	44.3
95.10622	2.0
97.06529	5.4
97.10153	5.9
98.52605	2.0
98.98466	48.5
105.07035	10.6
107.08593	13.5
109.06519	2.5
109.10136	19.5
111.04450	2.8
116.05384	1.8
119.08611	11.5
120.08937	3.6
121.10141	7.5
122.10459	3.1
123.11697	6.1
133.10136	12.7
135.11687	4.6
137.09618	3.1
137.13206	3.4
145.05325	2.2
147.11728	6.1
149.13235	2.2
151.14915	2.2
155.01025	21.0
159.11626	3.4
159.36694	2.0
161.13248	4.1
163.14920	2.5
165.16399	2.5
171.11555	2.0
173.02153	6.8
175.14792	4.5
223.92815	1.8
245.22630	10.8
247.20470	2.4
263.23657	19.9
276.20352	2.6
299.19980	2.1
300.20422	7.4
317.21008	3.5
318.21497	16.2
337.27374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	23.2
57.03421	11.1
57.07067	6.6
67.05502	49.9
69.07062	25.6
69.94473	2.3
70.84696	6.8
75.49290	2.4
79.05486	14.3
81.07055	53.7
83.04961	11.7
83.08620	16.2
84.05317	2.8
91.05463	11.6
93.07045	19.1
95.04956	2.9
95.08041	4.3
95.08607	50.9
95.97449	2.3
96.08924	3.2
97.06533	6.1
97.10149	7.6
98.98460	67.6
105.07018	11.5
106.07320	3.1
107.08608	20.3
109.10168	30.4
110.10503	4.5
111.04456	4.3
111.08083	3.9
111.82660	2.3
119.08584	19.0
120.08906	5.5
121.10146	12.5
123.08051	2.8
123.11701	9.2
131.08546	3.6
133.10150	15.1
134.10428	5.0
135.11694	7.0
137.09601	4.7
137.13235	3.9
145.10127	5.9
146.10443	4.1
147.11665	10.6
148.11974	4.2
155.01041	21.5
159.11623	7.1
160.12117	3.4
161.13217	6.0
163.14789	7.3
173.02124	7.5
184.12094	3.1
211.04857	2.6
238.16380	2.9
245.22563	13.4
263.23718	32.0
276.20447	4.5
299.19882	6.3
300.20355	15.9
317.21100	8.1
318.21423	24.4
337.27377	100.0
435.30167	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	435.2507
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05506	13.6
57.03442	8.3
57.07068	4.8
67.05505	36.0
69.07063	12.3
69.55180	12.8
71.05003	1.8
79.05485	8.1
81.07058	34.7
83.04977	3.7
83.08614	10.3
85.06564	1.8
86.71202	2.3
91.05466	7.8
93.07051	9.0
95.08040	3.1
95.08607	32.3
97.06561	2.7
97.10191	5.8
98.98470	42.9
99.08077	2.1
105.07030	6.6
107.08590	7.8
108.08943	2.0
109.10158	13.1
111.04423	1.7
119.08569	6.2
121.10140	6.8
123.11700	7.8
125.98788	1.9
133.10117	6.4
135.11737	4.1
137.09637	2.6
137.13213	3.1
145.10220	2.4
147.11664	5.2
149.13223	2.0
151.14853	2.2
155.01045	18.7
161.13258	5.3
161.32048	2.0
163.14865	3.0
173.02118	11.3
175.14792	4.2
189.16528	2.1
203.17995	2.1
231.27017	1.6
245.22649	9.5
257.09189	1.8
263.23691	21.9
300.20361	2.6
303.21463	1.8
317.21283	3.2
318.21429	7.1
337.27368	100.0
338.27673	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	435.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02732	1.1
53.03928	6.1
55.01861	4.6
55.05510	3.8
56.36195	1.3
56.96570	1.3
57.03429	5.2
59.05007	2.9
59.62788	1.1
61.02925	3.1
67.05501	9.0
68.99802	2.4
69.03426	26.6
69.07068	8.8
70.06589	7.2
70.79428	4.1
71.04987	16.8
72.08154	6.8
73.02918	4.3
79.05486	7.1
80.13667	1.2
81.03416	16.0
81.07057	34.9
83.04977	4.5
84.08133	3.0
85.02905	46.7
85.06534	5.7
86.09708	5.3
87.00826	19.1
87.04440	1.9
87.05601	1.3
88.21040	1.3
91.05495	5.6
93.02881	1.1
93.07033	8.9
95.04958	5.2
95.08614	7.1
97.02892	19.5
97.06530	4.9
98.97594	2.1
99.04456	10.8
99.08066	1.8
105.01867	17.3
105.07014	6.2
106.07398	1.4
107.08582	18.4
109.02879	16.1
109.06525	9.2
109.10152	100.0
111.04458	1.2
111.08086	2.4
111.11729	1.8
113.05996	1.5
115.03951	2.0
117.01852	1.8
121.10136	3.2
123.08081	3.6
123.11703	27.1
125.09623	11.9
127.03909	41.3
127.11189	1.4
128.04240	1.8
129.01866	1.6
131.08536	2.5
133.10126	16.2
134.10497	5.5
135.11708	2.6
139.11172	1.6
142.34766	1.4
145.04942	10.6
151.09950	3.0
151.11174	50.8
153.12750	2.1
157.12242	4.5
158.99767	1.8
159.02866	5.0
167.07080	1.4
169.12231	68.0
170.78722	1.5
177.00844	2.1
186.07327	1.6
187.13290	31.8
189.03926	1.4
195.07716	1.9
213.03889	2.0
217.14980	1.4
231.04971	11.0
233.08165	1.5
237.02621	2.4
255.03192	5.5
260.59189	2.0
261.09875	18.3
261.60065	2.5
273.04288	5.4
329.10834	2.3
381.15424	3.4
397.17374	1.4
399.16562	7.0
435.09421	4.5
435.18500	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67213	1.0
52.92794	1.2
53.03932	1.3
55.01856	1.3
57.03441	1.8
61.02922	1.3
62.35364	1.0
67.05508	8.3
69.03426	8.9
70.06592	1.7
70.52341	1.0
70.71877	0.9
70.91363	2.7
71.04988	3.0
72.87827	1.0
73.02918	1.4
79.05497	2.1
81.03411	6.3
81.07056	11.9
82.81504	1.2
83.04945	1.1
85.02899	20.2
85.06577	1.0
86.09723	1.2
87.00826	9.2
91.05488	1.9
93.07043	1.9
95.04960	4.2
95.08604	2.7
97.02893	7.6
97.06512	1.3
99.04449	1.5
105.01861	9.2
105.07079	2.7
107.08596	11.1
109.02906	5.7
109.06518	2.6
109.10158	100.0
110.10450	1.1
112.53764	0.9
121.10104	1.5
122.14495	1.2
123.11691	11.5
125.09605	2.1
127.03915	18.0
129.01840	1.1
133.10114	5.9
145.04948	3.9
148.41945	1.1
151.11174	26.7
159.02887	3.5
169.12245	17.4
173.04446	2.4
187.13263	8.8
231.05026	3.6
249.06129	1.4
381.15375	1.7
399.16595	1.8
435.13602	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01875	4.1
55.05506	2.7
56.19975	0.9
57.03437	9.6
57.07072	0.9
59.05001	10.6
61.02915	3.1
63.36291	0.8
65.03954	1.4
67.05505	4.6
69.03423	10.7
69.07070	2.4
70.06583	0.9
71.04993	4.1
71.25757	0.8
73.02551	1.4
73.02920	15.5
79.05500	5.4
79.57025	1.0
81.03418	8.5
81.07056	25.4
82.03735	1.4
82.07388	0.9
83.04990	1.6
83.08609	1.9
85.02904	26.3
85.06482	1.1
86.03241	2.0
87.00832	9.1
87.04475	6.1
89.06039	1.8
91.05479	12.3
93.07043	37.1
95.04958	3.5
95.08611	3.8
97.02888	8.7
97.06542	1.9
98.03217	1.2
99.04450	2.7
105.01869	11.0
105.07033	13.4
106.68360	0.8
107.04962	1.8
107.08584	11.7
108.08930	1.1
109.02882	7.7
109.06529	4.3
109.10165	4.4
110.10452	1.3
111.04514	1.1
111.08079	20.2
115.03973	1.0
119.08597	1.3
121.06522	1.1
121.10149	7.4
123.08052	1.3
123.11716	11.7
124.11999	1.7
127.03921	16.2
128.04225	2.0
129.01855	0.9
131.08571	1.3
132.32225	0.9
133.10118	12.0
134.10448	1.7
135.04382	0.9
135.11641	2.3
137.02344	3.2
139.11136	0.9
145.04945	6.6
149.09622	2.5
151.11180	25.7
152.11499	3.4
153.01822	3.5
159.02887	2.4
159.11694	0.9
163.03928	1.8
164.80362	0.8
165.01865	2.7
167.07080	1.2
167.10693	2.0
169.12244	47.4
170.12622	1.4
181.04938	1.8
187.13327	10.2
189.09082	1.2
201.05444	1.7
229.05017	4.1
231.05016	3.4
241.14445	1.5
247.06310	0.9
257.04492	3.1
257.37149	0.9
285.03867	1.1
303.05002	100.0
304.05405	5.5
349.09430	1.2
369.87790	0.9
382.15488	1.1
400.16901	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	435.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.9
55.01873	8.0
55.05510	5.6
56.96569	1.3
57.03433	5.7
57.07071	1.9
59.05018	1.5
60.17775	1.0
61.02914	4.9
61.11875	1.1
62.79540	1.1
65.03954	1.5
67.05502	5.6
68.99782	2.6
69.03426	39.0
69.07053	4.6
70.06599	8.2
70.36214	3.8
71.04993	26.6
72.08131	2.2
73.02913	8.1
79.05482	6.4
81.03416	34.7
81.06575	2.2
81.07055	35.7
82.07402	1.6
83.04967	6.1
84.08137	2.4
85.02902	80.0
85.06574	2.0
86.03244	2.0
86.09704	4.3
87.00826	26.5
87.04478	1.7
91.03940	2.2
91.05466	7.0
93.07044	7.3
95.04957	4.0
95.08608	3.1
97.02887	25.9
97.03510	1.7
97.06532	4.1
99.04450	16.7
99.08089	3.0
105.01873	22.1
105.07037	4.4
106.07381	1.2
107.04991	1.5
107.08591	16.1
109.02881	34.3
109.06490	1.9
109.10152	15.8
111.04457	2.9
111.08097	2.0
111.11702	2.0
112.08690	1.6
114.10098	1.0
116.07132	1.4
116.29916	1.2
117.01836	4.8
119.04926	3.2
119.08608	1.5
120.08088	2.0
121.10122	2.8
123.08014	1.5
123.11701	27.4
127.03913	57.8
127.07507	1.5
127.11181	2.0
128.04327	1.5
129.01831	5.3
133.10161	7.3
134.10393	1.0
135.11725	1.3
139.11220	5.4
141.12726	1.5
145.04953	22.6
147.02887	4.1
147.04399	10.6
148.04720	2.0
151.11185	35.9
157.12227	1.9
159.02888	20.5
167.07036	4.1
169.12238	100.0
175.11110	1.5
177.05547	1.5
181.05002	4.9
187.13283	12.9
213.04057	1.7
225.16948	1.1
229.08669	2.3
231.04984	9.5
233.08163	2.5
273.11273	6.7
303.05026	6.6
314.92123	1.3
348.08893	1.3
376.02084	1.4
417.15305	1.5
417.22012	1.2
435.09521	1.2
435.27216	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	435.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01875	4.1
55.05506	2.7
56.19975	0.9
57.03437	9.6
57.07072	0.9
59.05001	10.6
61.02915	3.1
63.36291	0.8
65.03954	1.4
67.05505	4.6
69.03423	10.7
69.07070	2.4
70.06583	0.9
71.04993	4.1
71.25757	0.8
73.02551	1.4
73.02920	15.5
79.05500	5.4
79.57025	1.0
81.03418	8.5
81.07056	25.4
82.03735	1.4
82.07388	0.9
83.04990	1.6
83.08609	1.9
85.02904	26.3
85.06482	1.1
86.03241	2.0
87.00832	9.1
87.04475	6.1
89.06039	1.8
91.05479	12.3
93.07043	37.1
95.04958	3.5
95.08611	3.8
97.02888	8.7
97.06542	1.9
98.03217	1.2
99.04450	2.7
105.01869	11.0
105.07033	13.4
106.68360	0.8
107.04962	1.8
107.08584	11.7
108.08930	1.1
109.02882	7.7
109.06529	4.3
109.10165	4.4
110.10452	1.3
111.04514	1.1
111.08079	20.2
115.03973	1.0
119.08597	1.3
121.06522	1.1
121.10149	7.4
123.08052	1.3
123.11716	11.7
124.11999	1.7
127.03921	16.2
128.04225	2.0
129.01855	0.9
131.08571	1.3
132.32225	0.9
133.10118	12.0
134.10448	1.7
135.04382	0.9
135.11641	2.3
137.02344	3.2
139.11136	0.9
145.04945	6.6
149.09622	2.5
151.11180	25.7
152.11499	3.4
153.01822	3.5
159.02887	2.4
159.11694	0.9
163.03928	1.8
164.80362	0.8
165.01865	2.7
167.07080	1.2
167.10693	2.0
169.12244	47.4
170.12622	1.4
181.04938	1.8
187.13327	10.2
189.09082	1.2
201.05444	1.7
229.05017	4.1
231.05016	3.4
241.14445	1.5
247.06310	0.9
257.04492	3.1
257.37149	0.9
285.03867	1.1
303.05002	100.0
304.05405	5.5
349.09430	1.2
369.87790	0.9
382.15488	1.1
400.16901	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	435.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01880	5.4
55.05500	7.5
56.96575	4.8
57.03431	6.5
61.02918	4.3
67.05510	9.6
68.99773	3.1
69.03435	28.7
69.07069	5.3
70.06603	14.1
70.77503	2.2
71.04997	17.1
71.58515	3.6
72.08155	5.8
73.02914	8.9
79.05506	7.6
81.03417	21.7
81.07062	25.7
83.04987	11.3
84.04520	4.1
84.08127	3.7
85.02908	68.1
85.06548	4.3
86.03242	3.0
86.09709	16.9
87.00846	17.3
89.41998	2.1
89.45009	2.4
91.05472	13.5
93.07052	17.3
95.04978	8.9
95.08626	18.6
97.02895	22.6
97.06518	4.8
97.68837	2.2
99.04464	12.4
105.01864	24.6
105.07041	12.1
106.07404	2.7
107.04971	7.1
107.08580	19.6
109.02868	15.9
109.06554	4.3
109.10169	21.0
111.08030	5.2
115.05466	2.4
116.07095	3.7
117.01845	2.7
117.07016	3.7
119.08607	4.4
120.08160	11.4
120.08894	3.2
121.02841	2.6
121.06553	3.1
121.10149	14.6
123.08057	5.0
123.11694	19.0
125.09613	17.7
127.03922	38.8
127.11182	4.0
131.04932	4.1
131.08611	3.8
133.10133	18.7
134.10480	3.5
135.11699	12.7
137.06010	7.2
139.11203	4.2
145.02835	2.8
145.04977	14.2
145.06488	3.2
149.05995	2.9
151.07532	4.6
151.11180	39.4
153.09106	2.4
153.12767	6.5
159.02908	6.0
161.06012	14.0
161.09628	2.5
163.03929	5.8
167.07060	9.1
167.10640	3.9
169.12251	100.0
171.06450	2.6
175.07469	2.8
177.05490	10.0
181.04974	22.8
183.02948	3.3
187.07472	2.9
187.13297	50.2
189.09122	9.6
193.08490	2.8
195.02895	3.8
207.10118	13.4
209.08093	2.8
221.08148	3.1
231.04985	6.9
233.08150	7.0
237.14830	3.4
253.23589	2.7
273.16788	3.9
303.05011	7.0
337.17822	2.4
391.13757	3.0
405.14587	7.7
417.16638	4.6
435.16934	3.7
435.22116	28.2
435.27402	5.0
436.10248	2.8
445.78809	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	435.1841
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
50.11013	0.3
52.18266	0.2
55.01868	0.3
67.05544	0.3
68.01747	0.3
69.03435	0.5
69.07052	0.4
69.12813	0.2
69.68336	2.1
70.06589	1.2
79.05499	0.4
81.07053	0.4
85.02907	0.8
85.06561	0.4
86.59731	0.3
91.05486	0.5
93.07026	0.4
95.04995	0.5
95.06116	0.3
95.08582	0.4
97.02882	0.8
97.07684	0.3
103.05439	0.5
106.04971	0.3
107.05012	0.7
110.33805	0.3
114.63612	0.3
119.04932	0.6
120.08069	1.5
121.02830	0.3
123.11749	0.4
127.03887	0.7
133.10181	0.3
137.06004	0.4
142.18773	0.3
147.04422	1.9
153.01814	0.3
161.05978	0.6
163.07600	0.4
167.07054	0.8
177.05458	0.4
180.07913	0.3
181.04994	1.2
181.08548	0.4
189.09171	0.4
207.10118	0.5
218.23441	0.3
229.05051	0.4
231.41965	0.3
233.08076	0.5
236.32327	0.3
238.99133	0.3
273.12280	0.3
303.04980	3.8
303.11197	0.3
303.14072	2.0
304.05264	0.3
417.15448	0.4
432.45367	0.3
435.18399	100.0
436.18774	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01869	1.7
55.05519	7.9
57.03436	1.2
65.03941	6.6
67.05504	5.3
69.03432	4.1
69.07065	2.1
70.06590	1.9
70.20018	5.4
71.04996	1.8
79.05496	9.6
81.03437	3.2
81.07063	5.8
81.76654	1.0
82.04183	1.4
82.06598	2.6
83.04994	2.6
83.08606	6.2
85.02911	8.3
85.06551	1.9
86.09708	1.2
86.42462	1.0
89.79068	0.9
91.05497	5.9
92.92842	0.9
93.03426	2.4
93.07050	6.0
94.04166	1.1
95.04967	6.0
95.08618	3.3
97.02888	3.3
97.06539	3.9
100.07631	1.4
100.11265	16.5
103.05460	5.2
105.01830	1.5
105.07056	4.0
106.04179	2.5
106.07384	1.2
107.04963	17.7
107.08605	8.4
109.02868	1.4
109.06535	1.4
110.03662	3.4
110.05992	1.1
111.04433	4.9
111.12102	1.0
115.05457	4.2
117.07034	4.3
119.04893	1.4
119.08582	2.4
121.02862	4.1
121.06498	2.3
121.10147	2.9
123.04449	3.1
124.05219	4.2
125.05968	3.6
127.03929	7.8
128.07037	2.3
129.07033	2.3
131.04936	5.1
131.08583	4.4
133.06480	3.0
133.10182	1.7
137.05968	14.5
139.08687	3.0
141.06961	1.5
142.02654	1.8
144.05704	4.1
145.05457	1.3
145.06490	8.8
147.04440	3.9
147.08116	1.5
149.06003	3.8
149.09622	4.5
151.07646	1.4
152.04718	1.4
153.05495	2.8
157.06511	2.3
159.08014	4.2
161.06003	4.8
161.09601	1.1
163.07562	2.6
167.07053	41.4
168.07484	1.0
171.06552	6.9
172.05197	15.1
173.05989	4.6
175.07578	3.7
177.05530	3.2
177.09206	1.7
181.04971	85.6
182.05298	1.2
182.15425	9.9
187.07545	6.5
189.05460	3.1
193.11946	1.1
195.06570	2.5
200.04691	8.2
201.05540	4.5
205.08722	5.0
206.05687	2.4
207.10185	1.6
209.08078	4.5
209.16515	8.2
210.14870	11.8
218.05733	11.9
219.06367	1.7
219.08270	1.8
219.10237	3.0
221.08066	6.4
225.09244	1.4
226.19186	6.0
231.06696	1.7
233.08092	100.0
234.08507	1.3
235.09726	2.2
245.08170	3.4
251.09155	3.4
257.04440	3.4
263.09155	22.0
264.07889	1.6
273.12476	1.2
285.11206	4.8
331.07816	1.4
335.24655	1.4
336.22845	6.3
339.12448	1.3
346.10507	2.0
355.11862	2.3
357.13449	1.4
367.11755	4.0
381.13156	2.0
387.14380	9.9
391.77130	1.3
399.14258	6.3
417.15494	31.0
417.32419	1.7
435.17850	2.6
435.27423	2.2
435.33331	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01871	7.1
55.05508	4.4
57.03430	2.6
61.02938	1.8
62.52721	1.7
65.03946	10.0
67.05505	9.7
68.70238	1.7
69.03431	8.2
69.07074	3.0
70.06633	1.9
70.64021	3.8
70.64388	3.9
71.05009	8.5
72.08142	5.0
73.02924	2.6
75.04485	3.5
76.01813	1.6
78.04717	4.0
79.05060	2.3
79.05493	25.8
81.03419	4.8
81.07059	9.6
82.04203	4.4
83.04996	2.6
85.02902	16.2
86.09705	15.0
87.00819	3.1
89.03948	2.6
91.05484	25.4
93.03406	11.6
93.07047	23.5
95.04955	15.0
95.08617	4.8
97.02910	6.7
97.06524	6.2
99.04449	1.9
103.05486	11.6
105.01874	6.0
105.03426	3.4
105.07029	15.2
106.04176	26.3
107.04960	35.0
107.08602	30.8
109.02876	1.7
109.06512	4.9
109.10146	11.3
110.10500	4.3
111.04461	4.4
115.05477	5.8
117.07003	9.9
119.04941	4.8
119.08589	4.3
120.08121	3.1
121.06522	30.9
121.10164	12.5
122.03677	2.7
123.04416	8.2
123.08063	3.3
123.11731	4.4
124.05203	5.2
125.06011	11.4
127.03918	20.0
127.11178	7.2
128.06229	3.9
129.07027	9.8
131.04924	8.2
131.08592	8.6
133.02887	2.4
133.06491	5.2
133.10162	11.5
134.03624	4.7
135.04417	3.8
135.08096	3.5
135.11690	4.5
137.05981	13.2
138.03136	2.1
139.07533	2.6
140.04680	2.2
141.01849	2.7
141.85712	1.9
143.10748	2.1
144.05696	3.8
145.02872	2.2
145.05299	2.8
145.06476	18.1
145.10124	4.7
147.04451	12.0
147.08060	4.1
148.05156	4.0
149.05986	38.1
149.09639	13.4
151.07555	11.6
151.11198	8.6
152.04570	2.2
152.11530	2.2
153.05473	10.4
153.09120	12.1
155.06017	2.4
155.07117	4.0
155.10678	2.8
156.05748	2.0
157.06525	11.6
159.08076	3.1
159.11728	3.6
161.06001	21.3
161.09560	2.4
163.07590	7.3
165.01657	1.9
165.05472	6.2
165.06898	1.8
165.09126	5.4
166.06265	4.2
167.07053	100.0
167.10721	5.7
170.12581	3.1
171.06522	3.2
172.05222	6.3
173.06042	8.5
174.06729	3.8
175.07549	6.9
177.05473	21.9
177.09053	3.4
179.07068	4.1
180.07758	2.7
180.86447	1.8
181.04971	81.9
181.08585	51.2
181.10207	2.8
182.05292	2.3
185.16510	4.4
187.07544	5.5
189.05482	5.1
189.09091	26.6
190.06203	3.5
191.07033	4.1
191.08624	2.9
191.10658	2.6
193.06538	2.2
193.27391	1.8
194.07283	2.3
195.08090	4.3
197.06108	2.0
197.09633	2.3
201.05446	8.2
201.16440	2.6
203.07051	2.3
205.08609	7.8
207.06543	2.4
207.08414	1.8
207.10168	6.8
208.07263	4.6
209.08089	65.4
211.07617	3.0
212.08324	2.5
217.08600	2.8
218.05756	7.4
219.06331	3.3
219.08273	2.7
219.10133	4.1
219.17450	2.6
221.06042	3.5
221.08052	7.0
223.07542	3.2
223.11011	3.0
224.08340	2.1
225.09142	5.4
226.08339	3.9
227.06908	2.8
233.08093	53.9
234.06706	2.3
235.07568	3.5
235.09653	6.3
236.08365	2.4
237.18539	14.2
239.07037	4.1
241.08589	4.2
245.08096	3.0
249.09074	2.6
251.06946	2.6
251.08940	8.8
253.08604	6.3
255.06529	6.8
255.10201	4.5
257.04431	2.4
257.11758	7.2
259.15274	2.5
263.09189	12.1
264.07849	2.0
267.10220	2.7
268.07294	2.3
269.08148	7.3
270.08972	2.3
273.07617	3.8
279.09991	2.7
281.08032	2.3
283.09647	7.2
283.12985	3.7
285.11285	13.9
293.08319	2.1
294.08954	2.6
297.11230	2.3
299.12662	2.0
302.11621	2.1
303.05026	7.8
307.09604	3.5
311.12796	5.6
315.12302	8.6
317.13895	10.2
323.08850	2.1
327.12424	2.8
327.99139	2.1
329.13712	2.7
331.15625	2.7
339.12170	3.8
343.15353	8.5
346.10587	2.2
346.14276	7.1
355.11984	2.7
356.95593	2.4
359.14841	5.6
360.15674	27.9
361.16476	33.4
367.11743	5.1
371.15271	2.6
381.13867	1.8
387.14389	5.5
399.14441	6.9
400.16531	2.2
417.15469	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1653
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03927	1.7
55.01870	3.1
55.05508	5.0
57.03428	2.3
65.03933	7.6
67.05515	10.2
69.03420	7.8
69.07058	2.3
71.04996	2.2
71.33045	3.0
72.91565	1.4
78.04714	1.5
79.05498	13.2
79.78480	1.3
81.03410	8.1
81.07051	8.5
83.04959	2.2
83.08627	3.4
85.02903	11.2
85.06530	1.6
91.05469	10.4
93.03381	4.3
93.07049	7.8
94.52020	1.2
95.04967	6.1
95.08595	4.2
97.02898	4.4
97.06525	5.2
100.11244	7.0
103.05474	5.3
105.01855	1.6
105.07029	4.3
106.04179	6.8
107.04961	21.0
107.08566	8.7
109.02900	2.3
109.06523	2.7
109.10159	4.6
110.03650	3.5
111.04424	2.9
115.05488	5.1
117.07037	4.8
119.04932	1.6
119.08607	2.4
121.02837	2.0
121.06496	8.7
121.10151	5.2
122.03632	1.7
123.04424	5.3
123.11678	2.0
124.05214	3.8
125.06009	5.6
125.09616	2.6
127.03902	8.2
129.06978	2.2
131.04912	5.2
131.08572	6.5
132.82603	1.4
133.06488	3.5
133.10118	2.5
134.03625	2.2
137.05984	13.6
138.03146	1.5
139.07628	1.9
139.08684	1.5
141.07019	2.3
142.02617	3.2
144.05687	4.3
145.04901	2.0
145.06520	10.7
145.10201	2.7
147.04416	4.5
147.08020	2.8
147.11685	1.9
149.05978	11.3
149.09605	5.3
152.04697	2.0
153.09009	2.5
157.06502	3.5
159.08064	2.2
159.11720	2.6
161.06003	6.5
163.07655	1.9
166.02649	1.6
167.07031	57.2
167.08418	3.4
167.10660	2.2
171.06546	4.8
172.05157	16.2
173.05933	5.7
175.07533	2.3
177.05524	6.9
177.09137	1.6
181.04956	100.0
181.08553	4.3
182.15369	3.3
187.07507	8.5
189.05418	3.0
190.06276	3.1
191.10661	1.9
195.06558	2.1
200.04803	6.8
201.05548	7.5
203.06964	1.6
205.08609	4.8
207.09962	2.2
209.08093	18.5
209.16469	1.9
210.14958	3.5
217.08678	2.0
218.05766	13.4
219.10179	5.8
219.17409	1.8
220.17825	2.3
221.08104	7.4
226.19099	1.9
228.75288	1.4
231.06628	1.6
233.08076	95.3
235.09682	2.6
245.08167	3.4
245.13020	1.6
251.09190	4.6
257.04547	3.1
263.09198	26.2
273.11383	3.4
285.11246	2.9
291.06671	1.7
295.09793	1.7
307.09723	1.5
335.09357	2.1
336.22910	2.2
339.12384	2.7
352.09708	2.0
355.11871	3.5
367.11722	3.7
372.11850	2.1
381.13565	3.1
384.12021	1.5
387.14441	10.8
396.67871	1.7
399.14383	9.2
417.15390	36.9
418.16019	2.7
435.11929	2.7
435.17163	4.9
435.33279	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	435.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03948	1.3
55.01870	1.9
55.05506	1.6
65.03942	7.4
67.05493	3.2
69.03425	4.3
69.07054	1.4
69.88269	5.0
78.04695	2.1
79.05506	8.4
81.03423	5.3
81.07056	2.2
82.04192	2.0
85.02898	5.7
91.05470	3.6
91.06008	0.8
93.03397	2.4
93.07034	2.5
95.04964	4.5
95.08582	1.5
97.02893	1.7
97.06520	2.9
100.11240	2.6
102.35189	0.8
103.05426	1.4
105.01900	0.9
105.07019	2.9
106.04156	2.3
107.04959	15.5
107.08575	1.9
108.02090	1.1
109.06558	0.9
109.10121	1.2
110.03676	2.2
111.04446	3.1
115.05457	3.5
117.07040	4.4
118.04136	0.9
119.04948	1.2
119.08589	1.6
121.06512	2.8
121.10090	1.2
123.04422	2.8
124.05257	2.2
125.05997	4.9
125.06754	0.8
127.03916	6.2
128.06218	1.2
129.06998	2.4
131.04922	2.4
131.08583	3.2
133.06479	2.5
133.10197	1.4
134.03656	1.1
137.05969	2.8
138.03093	2.1
140.04701	0.9
141.06955	2.3
142.02596	2.2
144.05699	2.9
145.02850	1.0
145.06474	8.9
147.04402	2.7
149.05959	4.3
149.13342	0.8
152.04642	1.9
153.01834	0.9
153.05547	1.5
153.09102	1.0
155.04890	1.3
155.05974	1.4
155.07083	1.4
157.06451	3.9
159.08040	4.5
161.05997	7.6
163.03909	1.0
166.02600	1.0
167.07047	47.2
171.06587	7.2
172.05200	5.3
173.05984	7.5
175.07535	1.9
175.11073	1.0
177.05470	2.5
179.06947	1.3
181.04964	100.0
181.08391	2.1
182.05325	1.2
182.15399	1.8
183.04311	0.9
183.06567	1.0
184.05258	1.0
187.07544	6.7
189.05489	2.2
190.06204	1.4
191.07056	1.7
191.10684	2.3
193.05028	1.1
193.08611	1.0
195.06555	2.4
200.04620	2.6
201.05461	7.1
203.06915	0.8
205.08591	3.6
206.05774	3.1
207.10233	1.0
209.08069	4.8
210.14915	2.3
217.08636	2.4
218.05740	6.0
219.06531	1.7
219.10114	5.0
221.08044	7.8
225.07625	1.3
233.08090	48.2
235.09612	2.7
244.82880	0.8
245.08032	2.4
247.07399	0.8
251.09129	4.3
263.06921	0.8
263.09192	12.8
263.25125	0.8
273.07584	2.4
277.08676	1.0
292.07156	0.9
295.09656	1.1
307.09589	1.5
309.07590	1.6
323.09125	1.6
324.09723	1.1
331.74451	1.1
337.11057	1.0
339.12308	1.6
353.10059	1.1
355.11783	3.3
357.13245	1.2
367.11719	4.0
371.15045	2.0
372.12067	1.6
381.13419	2.2
384.12097	1.6
387.14398	11.5
399.14395	7.0
405.15201	1.0
417.10068	1.6
417.15503	28.8
435.32648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1652
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
50.50487	0.8
53.03940	1.9
55.01870	2.6
55.05501	1.1
57.03430	1.0
59.93014	0.7
65.03934	7.0
67.05508	5.0
69.03433	6.0
69.07081	1.7
69.88652	1.6
69.89062	3.6
70.08559	0.8
71.05007	1.2
78.04705	1.0
79.05495	6.9
79.94975	0.9
81.03427	5.0
81.07061	4.8
82.04197	2.3
83.04963	1.2
85.02901	7.2
91.05479	4.4
93.07047	4.5
95.04959	3.7
95.08619	2.3
97.02910	2.4
97.06536	4.0
98.97555	0.8
103.05482	1.3
105.01865	0.9
105.07049	3.3
106.04187	1.2
107.04951	15.9
107.08595	3.7
108.02090	1.0
109.02876	0.8
109.10172	1.3
110.03684	4.5
111.04447	3.0
115.05435	4.1
116.06234	1.3
117.07007	3.4
119.08583	2.6
121.06487	2.2
121.10098	1.4
123.00811	0.9
123.04429	2.6
124.05200	4.2
125.05984	3.2
127.03925	5.8
128.06250	1.1
129.05420	0.9
129.07011	2.3
131.04956	1.9
131.08575	2.8
133.06479	1.5
133.10141	1.5
135.11673	2.6
137.05997	2.8
138.03102	2.7
139.07547	1.0
139.11194	1.4
141.01842	2.3
141.07013	1.5
142.02620	2.5
143.08621	0.9
144.05676	5.0
145.06497	9.3
145.10158	0.9
147.04393	1.9
147.08046	1.1
147.11618	1.4
149.06017	1.4
152.04688	2.1
153.05446	2.3
153.12735	5.8
155.04910	2.0
155.06000	1.5
157.06476	2.3
159.04343	1.1
159.08037	5.2
159.11661	1.2
160.05219	0.9
161.05997	5.0
163.07526	1.3
165.05544	0.9
167.07039	47.2
167.10785	1.4
171.06540	7.8
172.05214	6.1
173.05991	6.1
174.06776	1.1
175.07552	2.6
177.05495	2.5
181.04959	100.0
182.05334	1.6
187.07562	9.6
189.05487	2.1
190.06285	1.4
191.07080	1.5
191.10696	2.2
195.06541	2.1
200.04697	2.4
201.05484	7.4
205.08601	4.7
206.05768	2.5
207.06395	1.1
209.08029	1.7
217.08563	0.9
218.05701	4.4
219.10089	5.5
221.08096	7.9
230.61011	0.9
231.06599	1.0
233.08081	54.4
234.08630	1.1
235.07559	1.3
235.09689	3.3
245.08054	3.4
249.09169	1.2
251.09183	3.6
263.06641	0.9
263.09189	13.3
279.10159	1.6
307.09528	1.5
323.09207	0.8
331.07809	1.0
335.09006	1.0
337.10733	1.1
339.12430	2.4
353.10312	0.9
355.11835	3.1
367.11752	3.9
371.15118	1.9
381.13293	2.4
384.11948	1.2
387.14383	8.5
399.14429	6.2
405.15216	1.2
417.15439	32.5
435.32471	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36184	0.2
53.41229	0.2
54.36374	0.2
55.01867	0.7
55.39418	0.3
57.03429	0.4
63.53650	0.2
69.03423	1.5
69.55608	0.5
69.56013	1.6
70.95665	0.2
71.04986	0.3
73.02916	0.2
81.03416	1.8
85.02911	2.5
87.00832	1.6
95.68143	0.3
97.02874	1.1
99.04456	0.6
105.01852	1.0
109.02872	1.0
109.59375	0.3
112.47952	0.3
115.05449	2.6
117.01843	0.5
127.03921	1.7
131.08566	0.4
141.06995	9.0
145.04980	0.6
153.12778	0.4
159.02901	0.6
167.07010	0.2
169.06541	0.6
175.01839	0.2
181.04893	0.3
184.51059	0.2
187.07549	100.0
188.07857	2.9
278.75262	0.3
301.16138	0.3
362.79517	0.3
459.30057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1289
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.01880	0.3
61.35634	0.3
65.03954	0.6
67.01862	0.8
67.05501	0.6
68.99797	0.5
69.03429	1.6
69.07078	0.4
70.03293	0.3
71.04979	0.6
71.14282	0.9
72.08158	0.5
79.05502	0.4
81.03412	0.7
81.07051	2.0
85.02897	3.8
86.09711	0.7
91.05494	2.6
93.07019	0.6
95.04958	1.5
95.08615	0.6
97.02892	1.8
105.01875	0.5
105.07042	0.7
107.04939	1.3
109.02863	0.6
109.10158	0.9
119.04954	7.9
121.02840	0.5
121.06507	1.0
121.10077	0.4
123.04454	2.1
127.03923	1.1
133.10110	0.4
133.91319	0.4
135.11748	0.5
145.04991	0.6
145.06505	0.4
147.04416	32.6
148.04695	0.6
149.06020	0.5
151.03874	0.6
153.01833	65.2
154.02159	0.9
161.05951	0.4
163.03896	1.0
165.01836	0.5
167.07050	1.0
171.02885	2.9
177.19225	0.4
179.03403	0.8
181.04979	1.0
183.02882	0.5
187.07552	0.9
189.05464	0.7
191.03394	0.5
195.02960	2.1
209.08142	0.6
219.02815	0.6
231.02946	0.4
231.06471	0.5
254.84306	0.4
255.06529	0.5
261.03870	0.4
273.07581	100.0
274.07968	3.4
285.07584	0.7
303.05096	0.8
339.08591	0.7
351.08304	0.6
387.14465	0.4
435.21622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1267
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
50.35004	1.9
50.41082	1.8
56.96550	3.8
58.25844	1.6
60.04502	2.3
63.43291	1.7
67.32527	1.9
69.03410	2.4
70.06603	2.2
71.58617	3.5
71.79557	1.9
72.08124	2.3
81.07014	2.2
84.04461	2.0
85.02904	3.9
86.09693	5.3
87.04446	2.0
95.08634	2.6
98.97585	17.2
116.98611	12.2
119.04901	2.0
119.08538	2.7
127.03872	6.4
134.99640	6.8
143.00150	2.0
144.62163	2.0
147.04369	4.6
153.12744	7.0
153.48724	2.5
154.13077	6.0
158.99666	2.6
161.01176	7.7
170.99506	2.4
172.95319	2.5
177.00658	6.5
184.37479	1.7
189.00699	7.0
201.00673	7.5
219.01796	7.3
237.02798	4.7
249.02776	5.6
251.10439	3.1
252.10751	3.1
267.03958	3.3
291.03870	17.8
300.20462	2.4
325.07220	2.6
394.52841	2.0
397.04593	2.0
435.12595	100.0
436.13104	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	435.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58477	1.7
54.35244	1.6
55.01868	3.0
57.03421	7.2
61.02923	2.5
62.23047	1.8
69.03410	8.6
70.91379	5.2
73.02909	4.5
74.06103	2.2
79.34784	1.6
82.28910	2.1
84.54401	1.8
85.02914	21.0
94.93004	6.4
96.74620	1.9
97.02895	8.9
101.00936	1.8
116.48815	1.8
119.01885	2.6
127.03927	16.6
143.01999	2.1
145.04961	6.6
147.04437	2.5
147.08984	1.9
155.01904	3.6
161.03001	3.0
173.02986	8.4
174.04459	6.6
183.04996	7.8
185.02939	9.1
186.97694	3.4
192.05598	2.4
197.02939	2.1
203.04019	5.8
206.88669	1.8
212.85179	2.0
219.01598	2.4
245.05109	16.6
248.89679	9.3
255.07097	7.0
257.05249	2.3
264.07660	17.8
264.57684	3.8
272.06448	2.7
273.08163	5.7
273.58304	2.2
275.06140	3.0
287.06195	2.9
305.07211	3.3
365.09384	3.4
435.02829	10.2
435.12653	100.0
436.12869	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	435.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67991	0.4
50.92812	0.3
53.03942	1.2
55.01865	1.1
55.05495	0.5
57.03441	7.4
58.72751	0.3
59.04996	1.4
61.02924	2.3
65.26846	0.3
67.05510	1.3
68.99792	0.9
69.03437	4.0
69.07048	0.5
70.06583	0.6
70.85768	0.5
70.86108	0.8
71.04990	1.6
73.02924	14.2
75.63824	0.4
79.05491	1.4
81.03420	3.2
81.07068	6.7
83.08609	0.5
85.02428	0.5
85.02914	8.2
85.03422	0.5
86.03247	0.7
86.09690	0.4
86.10843	0.4
87.00375	0.4
87.00845	2.3
87.04473	1.1
90.18085	0.3
91.05482	4.5
93.07050	8.6
94.07358	0.9
95.04966	1.1
95.08598	1.4
97.02905	3.5
97.06557	0.4
98.03252	0.4
99.04446	1.0
103.03941	0.6
105.01879	2.9
105.07047	2.2
107.04942	0.8
107.08605	5.2
109.02885	3.6
109.06523	1.2
109.09488	0.4
109.10136	2.3
111.00810	0.8
111.08099	2.6
115.03963	0.6
119.08596	0.5
121.02869	1.1
121.10142	1.0
123.11726	4.5
124.12035	0.7
127.03930	6.7
128.04230	1.0
131.08571	0.8
133.10143	3.4
137.02348	3.4
140.96994	0.4
145.04956	2.3
145.10104	0.5
149.06032	0.5
149.09679	0.7
151.11189	8.8
152.11549	1.1
153.01839	4.9
159.02884	1.0
161.05980	0.6
163.03932	1.9
165.01837	1.8
166.02696	0.4
167.07138	0.9
167.10744	0.4
169.12260	8.2
173.06042	0.6
177.05505	0.7
181.04999	1.0
183.02876	0.9
183.45422	0.4
187.03915	0.4
187.13307	1.3
201.05519	1.4
201.16331	0.5
209.08179	0.5
229.05002	4.5
231.05008	0.9
233.08005	0.5
247.05936	0.7
257.04391	2.3
274.04977	0.6
285.03903	1.2
303.05017	100.0
304.05313	2.8
345.05811	0.6
349.09558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0923
Annotation	Quercetin 3'-xyloside
Peak:m/z	Relative Intensity
53.03943	0.6
55.01863	1.1
55.05496	0.9
57.03434	2.9
59.04992	0.9
61.02909	0.7
65.03929	1.1
67.05479	0.9
68.99798	0.8
69.03079	0.5
69.03431	9.0
69.07056	0.7
69.99953	1.9
70.06576	1.7
71.04998	2.1
72.08160	0.7
73.02911	0.9
75.04491	0.5
79.05484	1.4
81.03413	2.9
81.07056	3.7
83.04971	0.5
85.02908	11.0
86.03210	0.4
86.09696	1.0
87.00850	2.1
87.04478	4.2
87.09209	0.6
89.07140	1.2
91.05473	1.7
93.03377	0.7
93.07060	2.2
95.04974	1.0
95.08591	0.7
97.02891	6.2
97.06533	0.8
98.03207	0.5
98.20901	0.4
99.04450	1.3
101.05991	0.7
104.43616	0.4
105.01858	2.4
105.07063	2.0
106.04173	0.4
106.07417	0.5
107.04942	1.6
107.08596	2.0
109.02879	2.8
109.06516	0.4
109.10182	1.8
111.00790	0.9
111.04405	0.4
111.08089	0.7
115.03942	4.1
115.05428	0.5
117.01887	0.5
117.07037	0.5
119.08573	0.7
120.08157	0.8
121.02850	1.4
121.06536	0.5
121.10123	1.0
123.04471	0.7
123.11717	2.3
127.03928	3.9
128.04201	0.5
131.08601	0.6
133.04948	2.9
133.10121	2.3
134.10458	0.8
137.02332	3.2
137.05919	0.7
139.11200	0.5
141.06982	0.6
145.04973	2.1
145.06418	0.8
145.10123	0.5
146.05240	0.4
147.04399	0.7
149.02332	0.4
151.03915	0.4
151.07555	0.6
151.11198	3.2
152.11551	0.7
153.01811	3.9
157.06525	0.5
159.02869	0.8
159.08084	0.4
159.11746	0.5
161.05980	2.2
163.03938	2.0
165.01822	2.6
167.07072	4.2
169.12241	5.8
171.06569	0.7
172.05197	0.5
173.06007	0.9
175.07590	0.5
177.05469	0.7
181.04967	8.4
183.02884	1.6
183.04315	0.5
187.07524	1.4
187.13246	1.1
189.09103	0.7
191.03418	1.0
191.07069	0.4
195.02890	2.9
200.04779	0.5
201.05460	2.2
207.10172	1.3
218.05766	0.6
219.02934	1.0
219.10127	0.4
221.08154	0.6
228.04213	0.4
229.04958	3.9
231.02982	0.9
231.05022	1.0
233.08049	4.5
257.04407	2.5
260.08325	0.4
261.03763	0.6
263.09195	1.1
274.04758	0.5
285.03891	1.3
285.07562	0.7
297.07520	0.5
303.04999	100.0
304.05380	3.1
315.05069	4.4
315.08438	0.6
316.05496	0.5
318.21240	0.6
327.04932	0.9
339.08490	1.0
345.06189	3.5
351.08624	0.4
363.08878	0.5
367.11752	0.5
387.06873	0.6
387.14545	0.9
399.07028	1.5
399.14609	0.5
406.30347	0.5
417.15543	1.9
435.09299	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0922
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.49966	0.3
53.24892	0.3
57.03436	0.5
59.04991	0.3
61.02928	1.8
68.99802	0.5
69.03428	0.8
71.23444	0.8
72.74178	0.3
73.02918	14.8
73.04517	0.3
74.53932	0.3
81.03391	0.4
81.07041	0.6
85.02900	1.3
87.00830	0.3
88.14100	0.4
91.05488	0.6
93.03386	0.4
93.07034	1.2
96.00628	0.3
97.02882	0.6
103.09238	0.3
105.01864	0.4
107.08606	0.5
108.08945	0.4
109.02879	0.5
111.00804	1.1
111.08094	0.7
111.54150	0.3
115.03937	1.4
121.02863	0.9
127.03901	0.7
135.04359	0.4
135.11694	0.3
137.02344	3.2
149.02374	0.4
149.06071	0.3
151.11180	1.0
153.01810	3.7
159.02827	0.3
163.03897	0.7
165.01813	1.9
166.02597	0.4
169.12218	0.9
173.05888	0.4
178.12225	0.3
183.02882	0.6
187.03889	0.5
187.13342	0.3
195.02899	0.3
201.05452	1.5
229.04971	4.5
247.06047	0.6
257.04449	3.2
274.04749	0.7
285.03961	1.3
303.04990	100.0
304.05273	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54490	3.7
55.05513	22.2
56.96565	6.4
59.04998	8.2
64.36865	3.7
67.05507	28.9
68.14907	4.1
69.07074	11.2
69.52960	34.3
79.05508	15.1
81.07075	28.8
83.04986	28.8
83.08607	8.0
85.06538	5.9
88.02685	4.3
91.05475	17.3
93.07045	27.9
95.04894	3.7
95.08620	44.7
97.06517	5.0
98.20816	5.3
98.97598	28.7
104.99280	11.8
105.07030	30.2
107.04980	4.6
107.08601	34.6
107.61079	4.4
109.10154	40.7
111.04442	21.3
111.08073	7.1
116.98641	30.5
117.07012	5.1
119.08588	67.2
120.97903	7.4
121.10160	22.7
123.08054	9.1
123.11688	10.4
131.08583	15.4
133.10135	37.7
134.99677	34.0
135.08070	7.8
135.11688	10.5
137.09645	13.4
141.07028	4.4
143.08559	12.0
145.10098	20.4
147.08047	4.6
147.11711	33.3
151.11172	6.2
153.00653	6.4
153.08919	4.5
155.08476	5.5
157.10138	15.5
159.11690	26.3
161.09689	7.3
161.13264	12.0
163.14818	9.5
164.45605	4.6
165.09065	6.0
169.10133	7.5
171.11684	11.7
173.09634	6.4
173.13272	11.8
175.11180	5.4
179.10670	6.1
183.11682	10.9
185.13338	9.3
187.11076	4.5
187.14851	14.1
189.16402	5.5
191.10722	5.2
197.13261	11.3
197.36650	4.1
199.11113	4.5
199.14874	7.1
201.16423	9.8
203.10721	5.7
205.12311	8.9
205.15977	4.1
209.11729	5.4
211.14914	6.0
213.16379	9.6
215.14294	4.4
217.12251	5.0
224.93571	5.3
225.50667	4.3
229.12305	8.9
237.16350	5.4
239.14183	5.4
239.18011	11.0
240.90901	4.0
243.13956	5.5
253.19603	8.7
255.07808	3.8
257.19113	11.0
260.96231	5.3
271.20886	5.5
274.97495	17.9
275.20178	12.3
277.00879	8.9
278.96872	13.0
278.99939	4.7
281.19070	10.0
288.92175	10.8
292.98569	13.5
296.97922	15.2
297.99280	5.7
299.20068	62.3
301.21439	7.1
317.21143	100.0
328.83347	7.2
350.89703	5.9
360.84134	5.1
368.90692	7.5
378.85123	5.5
386.89819	7.3
415.01657	4.9
421.09409	4.2
428.89658	8.4
452.81268	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	434.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05508	8.6
57.07065	1.1
60.89774	1.2
60.93880	1.1
67.05503	10.8
67.38241	1.0
69.07045	3.8
70.22739	5.6
78.07986	1.0
79.05489	5.8
81.03379	1.8
81.07047	12.7
83.04992	5.3
83.08587	3.1
84.05298	1.4
86.09702	2.5
91.05479	9.2
93.07031	12.9
95.04955	2.3
95.08601	48.4
99.04436	4.5
105.07029	12.6
107.04951	3.3
107.08596	19.1
109.10150	15.3
111.04426	3.7
117.07014	1.3
119.08575	14.4
120.08104	1.1
121.10130	14.9
123.11701	6.9
124.99962	1.6
125.05972	6.1
129.06960	2.1
131.08571	3.0
133.10114	12.6
135.08043	2.2
135.11703	8.7
137.05913	3.5
143.08560	3.6
145.10100	4.8
147.04388	1.8
147.11697	6.4
149.13239	4.2
151.07539	2.2
151.11212	1.2
153.09082	1.2
156.09348	1.4
157.10080	5.0
159.11642	7.4
161.09587	3.9
161.13257	5.2
163.03860	2.4
163.11125	1.7
163.14784	2.6
165.09207	1.4
169.10085	2.1
171.11668	4.2
172.95264	1.3
173.09552	2.9
173.13231	4.5
175.11185	1.3
175.14778	1.9
179.10670	4.3
183.11670	1.8
184.07335	4.1
185.13240	3.7
187.11203	3.0
187.14804	2.2
191.10738	2.3
195.77119	1.4
197.13266	1.7
199.11121	2.0
199.14853	1.5
201.12683	1.9
201.16458	3.5
203.17931	4.5
205.12233	3.7
213.12633	3.0
219.13750	1.6
227.14221	1.8
231.13748	5.6
239.17926	2.7
241.19566	2.9
245.15312	1.6
255.21033	4.6
283.20480	6.1
299.19897	3.2
301.21597	100.0
302.22028	2.9
317.21100	3.3
328.31595	1.3
434.32916	1.9
434.38400	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	434.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.05507	42.4
67.05499	7.6
68.05888	1.4
69.07059	3.8
71.48748	2.5
79.05489	4.9
81.07066	7.8
83.04977	100.0
91.05460	6.4
93.07050	10.1
95.04935	1.9
95.08607	9.3
99.08077	1.7
101.06033	1.3
105.07024	15.2
106.07380	1.2
107.08586	11.5
109.06506	1.8
109.10163	5.1
110.10408	1.2
111.04430	1.6
117.07050	1.7
118.81184	1.2
119.04964	2.4
119.08570	14.3
121.06494	1.3
121.10131	6.3
123.08047	3.7
123.11731	2.2
125.09631	24.8
131.08597	3.2
133.10136	9.7
135.08003	1.6
145.10107	3.6
147.04422	2.1
147.11693	14.2
148.04747	1.4
149.13257	2.6
155.08456	1.6
157.10158	2.6
159.11711	2.6
159.47180	1.2
161.13295	2.3
163.07765	1.3
163.10959	1.7
164.15446	1.3
165.12712	2.3
171.11765	1.8
173.13249	2.1
175.11156	7.6
183.11700	1.6
184.12119	1.2
185.13210	1.2
187.14853	2.3
189.16508	1.4
193.12238	14.7
199.11302	1.6
211.13348	2.4
293.17419	16.5
298.19040	1.5
299.20187	8.5
317.21048	4.1
334.17725	1.5
337.54733	1.3
363.95886	1.3
417.26361	7.0
434.32083	1.3
434.38370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85041	0.6
53.03941	1.7
55.05511	47.8
56.05848	0.6
62.49781	0.5
64.74248	0.7
67.05509	0.9
69.07066	1.2
69.58266	4.9
79.05490	1.6
81.07059	3.4
83.04981	100.0
91.05492	2.8
93.07040	5.3
95.08591	3.1
97.06459	0.5
99.08105	2.0
105.07014	7.5
107.08590	7.5
109.06517	0.8
109.10155	1.2
111.04463	1.3
115.76018	0.5
119.08578	4.6
121.10141	3.7
123.08109	1.4
123.11692	0.7
123.29474	0.6
125.09633	21.7
125.10544	1.3
133.10141	3.7
135.08018	0.7
135.11752	1.0
137.06027	1.7
145.10124	1.4
147.11691	8.8
149.13280	2.4
151.07591	1.1
157.10144	1.5
157.61501	0.5
159.11673	1.0
161.13327	0.8
162.29718	0.5
165.12776	1.8
175.11194	4.2
193.12268	7.5
201.69102	0.6
207.13948	0.9
211.13310	1.9
253.19583	0.6
293.17438	11.1
299.20013	4.9
317.21112	1.4
335.22446	1.4
410.93243	0.6
417.26361	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	434.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.7
56.96545	2.4
67.05508	8.8
69.07069	7.0
69.99604	8.1
70.00008	4.4
79.05483	7.0
79.69070	2.2
81.07068	15.9
82.26371	2.0
82.29214	2.0
82.82336	2.1
83.04974	5.3
83.08600	2.7
84.97945	2.3
85.02847	2.0
86.35234	2.2
91.05489	9.8
93.07027	19.0
95.04950	2.5
95.08050	3.7
95.08607	48.0
96.08951	2.4
97.10160	3.2
99.04453	5.2
105.07040	17.6
107.04916	2.6
107.08595	22.8
109.06524	4.4
109.10149	16.2
110.10448	2.9
111.04456	5.1
117.07012	2.9
119.08581	19.1
121.06475	2.7
121.10138	17.1
123.08011	3.2
123.11702	9.2
125.05972	7.0
131.08560	6.5
133.10123	18.9
135.08028	12.8
135.11705	10.5
136.08397	3.0
137.09550	3.3
143.08508	3.8
145.10130	8.3
147.08070	2.3
147.11679	6.7
149.13231	5.3
155.08557	3.1
157.10129	7.4
159.11644	11.9
161.09688	5.0
161.13193	5.0
169.10202	2.8
171.11649	4.4
173.09615	3.3
173.13220	5.9
175.14870	2.6
177.09161	2.7
179.10660	6.4
183.08292	2.3
185.13226	4.9
187.11256	3.2
187.14830	3.5
196.12140	3.0
197.13326	2.9
199.11102	3.6
199.14828	3.9
201.12752	3.1
201.16495	3.8
203.18045	4.4
205.12358	5.1
211.14745	2.2
231.13850	4.5
241.19521	3.9
245.15343	6.0
255.21065	3.9
259.17233	2.4
270.19501	5.9
280.17975	3.1
283.20483	3.8
288.20221	4.0
297.18481	4.5
298.18921	12.4
299.20056	5.3
301.21628	100.0
302.21988	2.4
316.19858	8.8
317.21030	7.0
328.31915	2.6
392.84454	2.5
434.31891	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	434.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.1
57.03429	2.0
60.54290	1.9
66.76456	2.0
67.05500	12.8
69.07068	7.8
69.41230	13.3
69.41655	6.7
70.06601	6.9
71.05042	2.5
71.51036	2.3
71.99688	2.1
79.05504	9.2
81.07048	19.9
83.04986	20.3
83.08623	3.6
84.05333	3.6
90.89891	2.0
91.05488	18.0
93.07033	20.0
94.07374	2.9
95.04955	3.9
95.08604	37.5
96.08943	3.0
97.02912	2.2
97.06553	3.3
97.10138	2.6
98.98470	5.1
101.06012	2.6
105.07025	28.4
107.08592	22.4
108.08919	3.3
109.10162	13.4
110.10504	2.8
111.04456	18.6
117.07011	9.5
117.57759	2.1
119.08585	75.6
120.08894	2.6
121.06504	4.4
121.10146	14.7
123.11727	4.1
129.07051	3.2
131.08556	13.1
132.10207	2.3
133.10130	42.8
135.08073	8.2
135.11690	7.1
135.47209	2.2
139.07561	2.3
142.07823	3.1
143.08595	8.8
145.10115	17.5
147.04440	4.2
147.08029	3.2
147.11694	16.2
149.05978	2.5
149.09653	2.7
149.13263	3.0
151.11098	3.9
152.79581	2.3
155.08574	7.7
156.09375	3.0
157.10136	14.5
159.11694	21.1
161.09627	2.8
161.13258	14.2
163.03920	2.6
163.14754	2.7
169.10164	10.0
170.10886	2.8
171.11650	12.7
173.13290	12.0
175.14848	3.7
179.10672	2.4
181.12239	4.6
183.11678	11.2
185.13303	6.9
187.11136	3.0
187.14842	7.0
189.16374	7.7
191.10777	3.5
193.09973	3.3
195.11760	4.1
197.13222	14.2
199.11151	3.1
199.14867	8.5
201.16400	6.9
203.10745	3.5
205.12349	4.5
211.11246	3.5
211.14847	8.4
213.12849	2.7
217.12312	3.5
225.12718	3.0
229.12238	5.4
237.16418	3.0
239.14429	3.1
239.17914	7.2
243.13795	4.3
253.15811	3.1
253.19579	19.3
255.17487	2.2
255.21109	6.1
257.15518	4.8
271.20544	2.8
281.19003	18.7
299.20056	100.0
300.20267	5.7
315.19528	7.8
316.19888	4.1
317.21176	29.3
328.32025	13.9
334.21014	3.6
336.26123	4.2
346.70209	2.5
372.34729	6.7
434.38409	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.0
57.04364	2.2
57.07079	3.7
57.12502	2.3
67.05530	13.0
69.07056	5.2
70.14265	13.5
71.49136	2.4
72.71204	2.8
79.05472	6.4
81.07063	13.8
83.04971	4.8
83.08605	7.1
87.82220	2.4
91.05474	8.9
93.07046	16.7
95.04972	2.5
95.08608	48.7
97.06542	3.0
105.07063	15.9
107.08601	23.9
109.06509	3.0
109.10169	17.3
111.04447	4.3
115.58797	2.3
119.08559	22.0
121.10159	21.3
123.11659	5.0
125.05983	5.1
129.06937	3.1
131.08559	5.2
133.10147	19.0
135.11717	13.3
141.06950	3.0
143.08546	4.0
145.10136	11.6
147.11693	10.4
149.13249	5.5
157.10127	9.7
159.11722	12.9
161.09715	3.0
161.13255	7.8
163.14877	3.2
169.10103	3.4
171.11720	8.8
173.09593	4.9
173.13286	4.2
175.14835	3.4
179.10706	4.5
183.11696	4.5
185.13274	6.9
187.11172	6.7
187.14862	4.1
191.10669	4.9
199.14799	4.6
201.12691	2.8
201.16426	3.6
203.10638	4.2
203.17981	4.9
205.12260	8.6
213.12611	5.0
215.17870	3.1
217.12282	4.1
219.13843	4.3
227.14340	4.5
231.13861	8.6
239.17906	5.0
241.19461	3.7
245.15408	6.9
255.21001	6.2
259.16998	3.3
265.97253	2.8
283.20560	9.2
299.20032	9.2
301.21637	100.0
302.22040	4.2
314.84894	2.7
317.21109	6.3
352.71738	2.7
384.72681	2.4
426.54520	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26589	2.0
62.13721	2.3
82.02773	2.0
82.75843	2.4
83.04979	2.6
84.02567	1.7
89.64031	2.1
91.05479	5.4
98.21515	3.8
105.07025	3.7
107.04973	2.4
111.62521	2.0
115.05473	4.8
117.07052	2.5
117.27747	2.2
130.04187	3.1
132.05702	4.1
133.06483	3.2
136.05215	5.4
137.06004	3.1
151.07545	26.9
160.05220	29.3
161.05923	2.7
163.07578	2.6
175.07555	100.0
177.09135	2.3
187.07558	2.3
199.07509	4.9
219.08035	2.4
244.39302	2.0
249.09097	3.6
251.10674	3.7
261.08981	3.5
265.08664	2.5
267.10236	3.6
277.12170	3.5
279.10059	3.2
280.10867	3.1
281.11716	4.1
290.09219	2.8
291.10236	2.1
293.11771	4.8
301.65915	1.9
305.11676	9.8
306.12619	2.8
306.71863	2.0
309.11179	3.7
311.12711	5.1
313.14337	3.6
323.12448	2.2
324.13669	3.4
326.15036	11.9
337.14304	7.4
341.07355	2.1
344.21570	2.2
355.15344	7.8
357.16977	47.1
386.11057	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.7
55.01868	7.4
55.05512	6.7
57.03435	6.2
57.07071	5.0
59.04997	2.6
59.82539	1.9
61.02928	4.1
62.64119	1.8
64.93951	1.6
65.03934	5.7
67.05514	15.6
68.99780	1.9
69.03434	36.9
69.07068	6.1
70.15005	2.8
70.15409	6.6
71.04994	7.7
73.02932	4.1
79.05494	12.7
81.03420	22.5
81.07064	55.9
83.04977	4.6
83.08641	1.8
85.02911	89.0
85.06542	3.3
86.09698	3.0
87.00830	36.2
91.05489	10.4
93.07047	14.1
95.04975	100.0
95.08625	17.1
97.02902	37.5
97.06538	6.8
98.20834	2.4
99.04456	12.2
105.01866	64.5
105.07040	14.8
107.04959	9.2
107.08603	14.8
108.08168	2.5
109.02885	26.9
109.06525	49.5
109.10177	19.8
111.04438	2.1
111.08098	8.4
115.05471	1.9
117.07001	2.8
119.08589	8.6
121.06525	3.5
121.10149	6.9
123.04424	2.1
123.08051	3.4
123.11713	51.8
124.05272	2.2
125.05994	3.3
127.03928	81.8
129.01857	2.1
129.06992	2.3
131.04866	1.9
131.08606	4.4
133.10121	18.2
134.10420	2.1
135.11665	3.2
137.06017	1.9
141.07040	2.7
145.04970	30.1
145.06500	4.6
145.10143	5.7
147.02875	2.8
147.11702	3.7
150.12814	3.8
151.11194	97.9
152.11560	2.9
153.05377	2.5
155.07111	2.1
155.08597	1.8
159.02878	8.1
159.11700	7.3
161.06015	4.6
161.13261	3.3
163.03952	2.1
164.04306	2.4
167.07065	21.4
168.07327	3.7
168.13850	2.2
169.10078	2.3
169.12248	33.4
171.06566	3.0
171.07909	2.0
171.11617	1.9
173.06012	2.3
173.13306	3.8
177.05528	2.5
181.04970	42.8
182.05316	8.0
187.07521	17.8
189.03923	2.7
194.08936	2.0
201.05507	2.9
201.16483	2.4
205.08617	2.5
209.07976	1.7
213.03993	7.5
219.13817	1.9
219.17381	2.3
221.08102	5.7
222.08440	5.9
231.05017	38.2
233.08060	19.1
235.09668	2.4
237.14864	14.9
245.08257	2.0
249.05954	13.2
261.44385	2.2
263.09213	5.3
277.14276	2.8
282.83878	1.9
299.20181	3.4
317.21030	3.7
387.14517	4.5
399.16190	8.5
404.14346	16.9
409.99121	1.9
417.15439	16.2
434.15298	4.1
434.20670	4.1
434.25806	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80042	0.9
53.03940	1.4
55.01876	3.5
55.05505	1.7
56.59167	1.1
57.03436	22.2
58.73569	1.0
59.04729	0.9
59.04997	6.5
59.65097	1.1
60.04520	3.0
61.02919	4.6
65.03944	1.2
67.05487	2.4
69.03429	79.9
69.77727	6.0
70.06584	1.6
71.01365	1.6
71.04983	2.7
72.08137	1.2
73.02905	5.1
75.04477	4.2
79.05500	3.9
81.03418	8.1
81.07050	5.5
81.96329	1.0
83.04987	2.4
85.02904	100.0
86.03233	1.2
86.09707	2.7
87.00833	3.6
87.04469	52.8
91.03972	3.6
91.05489	9.9
93.07033	8.2
95.04967	1.8
95.08607	2.8
97.02889	73.9
99.04454	4.3
103.03927	1.7
105.01879	9.0
105.07020	15.4
107.04958	3.8
107.08591	3.0
109.02875	10.2
109.06551	1.9
109.10175	1.4
111.04492	2.1
114.01974	1.1
114.05529	2.3
115.03930	98.3
116.04286	1.5
119.08605	2.3
121.10207	1.0
123.04399	1.2
123.11736	2.1
127.03922	30.8
131.08546	1.8
133.04961	99.0
133.06563	3.5
133.10123	16.0
134.05293	1.2
135.04449	1.1
135.66843	1.1
137.02341	1.6
145.04956	38.2
147.08041	4.1
150.07610	15.1
151.11169	6.7
153.01836	2.0
159.02959	1.5
159.08073	1.1
161.04539	1.0
161.05934	1.9
163.03946	2.1
163.06021	14.6
167.07037	7.5
167.90263	0.9
169.04909	2.0
169.12204	2.0
171.08003	1.3
173.06015	1.2
181.04933	16.2
187.06078	1.2
187.07574	1.4
189.09164	2.9
193.04959	1.1
201.09120	3.5
219.10196	2.7
221.08035	1.7
223.05942	1.9
229.04825	1.1
231.05017	3.1
231.10106	1.6
233.08133	6.0
241.07057	2.8
245.08171	1.2
249.05962	1.3
250.41530	1.0
257.04395	1.2
259.08276	4.7
263.09045	1.3
277.09280	2.0
285.13385	6.0
288.05902	2.2
295.10187	5.5
303.04996	33.7
345.06030	2.8
404.14221	2.2
417.15305	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
53.51078	0.7
55.01857	2.2
57.03429	1.2
61.02927	1.2
67.05507	1.5
69.03423	7.8
69.07014	0.8
70.06597	1.2
70.84679	1.7
70.85050	1.5
71.04984	2.0
73.02901	1.6
79.05493	5.0
81.03410	5.9
81.07061	6.4
83.04955	1.0
85.02902	23.7
86.09715	1.1
87.00826	8.7
91.03948	0.9
91.05482	15.8
93.07040	16.5
95.04964	1.8
95.08609	1.7
97.02898	8.3
99.04489	4.0
105.01862	14.1
105.07029	44.5
107.08598	5.0
109.02879	5.6
109.10145	1.4
117.07005	2.2
118.07822	1.6
119.08603	1.3
121.02862	0.8
121.10136	2.5
123.11720	2.2
123.18938	0.7
127.03925	17.9
129.01860	1.1
131.08574	2.3
133.10127	100.0
134.10458	2.1
135.11646	1.7
145.04951	8.0
147.04437	1.0
151.11177	7.7
153.01767	0.8
157.10181	1.1
159.02934	2.7
175.11203	1.3
181.04967	0.8
189.03958	0.9
213.03880	1.1
231.04967	6.4
231.13843	0.9
249.05997	3.8
258.66684	0.8
284.06537	1.5
296.06580	0.9
303.05023	1.0
313.06931	1.0
314.07446	1.7
317.21039	1.6
338.07147	0.9
363.14200	1.3
381.15265	1.2
434.11707	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
51.97668	0.5
53.03936	1.8
55.01862	1.8
55.05507	1.4
56.05023	0.5
56.96558	1.6
57.03425	0.7
57.07068	1.3
61.02910	1.2
65.03938	0.7
67.05496	1.1
67.54538	0.4
68.99796	0.9
69.03084	0.4
69.03436	6.1
69.07066	1.2
70.06587	1.7
70.10560	1.3
71.04997	2.0
72.08160	2.1
72.32280	0.4
73.02906	1.5
74.06063	0.5
76.34531	0.4
79.05490	2.8
81.03419	6.0
81.07063	2.8
83.04958	0.8
84.04501	0.7
84.96032	1.3
85.02907	18.3
86.09702	3.2
87.00838	6.1
87.10039	0.7
90.40376	0.4
91.05482	12.4
92.05809	0.5
93.07044	4.5
95.04977	3.0
95.08601	1.0
97.02892	5.8
97.06502	0.5
98.06065	0.4
98.20797	0.4
98.97599	1.0
99.04459	3.0
103.05505	0.6
104.05302	0.8
105.01865	8.1
105.07030	39.0
106.07368	0.5
107.04939	0.9
107.08594	4.6
109.02880	5.1
109.06517	3.0
109.10162	1.6
110.06060	0.7
111.04460	0.9
112.99095	0.4
115.03920	0.6
115.05441	0.7
116.98588	0.8
117.07002	1.6
118.07814	1.5
119.04935	6.6
119.08587	1.3
120.08173	0.4
121.10123	0.7
123.04485	0.5
123.11712	1.8
127.03922	13.5
129.01837	1.0
129.10242	0.5
131.00140	0.4
131.08574	3.1
133.10130	100.0
134.10477	2.4
134.99727	0.5
135.11700	1.4
145.04974	5.9
145.10118	0.7
147.04410	29.2
147.11670	0.8
148.04678	2.4
149.01219	1.3
149.03685	0.4
149.04878	0.5
149.09608	1.2
151.11179	4.0
153.01802	1.0
157.10187	0.4
159.02913	3.3
159.11713	0.5
163.03865	1.0
167.07021	0.6
168.13950	0.6
168.98016	0.6
169.12239	3.1
171.11470	0.4
173.09584	0.5
175.11258	1.1
177.00798	0.5
185.75967	0.4
186.99139	1.3
187.13283	0.8
189.03964	0.9
197.13297	0.5
203.02159	0.4
204.93629	0.5
205.00284	0.6
213.04106	0.6
231.05009	3.4
239.02359	2.1
241.12140	0.5
249.00925	0.5
249.05986	1.0
257.03406	2.6
258.06653	1.0
277.14355	0.5
299.19980	1.2
317.21112	1.7
346.07944	3.0
346.58411	0.7
365.05475	1.3
367.61371	0.5
381.15506	0.6
389.05637	0.4
399.15942	0.8
417.05078	0.7
434.14520	0.5
434.23987	0.6
435.05685	0.6
453.07047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18888	8.9
55.05508	35.8
59.04997	60.6
67.05490	8.4
71.61061	14.2
77.41204	8.3
79.05495	13.5
81.07070	19.4
83.08652	9.1
85.06548	100.0
91.05477	28.0
93.07053	27.7
95.04950	15.1
95.08603	19.8
95.98334	7.7
103.21871	7.2
105.07045	47.4
106.33111	8.3
107.08578	25.8
109.06494	20.9
109.10153	8.8
111.08121	14.6
117.07017	13.0
119.08598	72.4
121.10161	16.9
123.08107	11.1
125.09624	21.3
129.06966	10.8
131.08580	25.2
133.10117	28.1
135.11676	11.9
137.09637	23.3
142.07790	13.8
143.08521	20.9
145.10130	35.4
151.11194	27.7
157.10103	22.8
159.11696	12.9
171.11644	14.3
173.13312	8.8
183.11708	10.9
185.13350	10.7
187.14824	9.6
189.12849	13.7
197.13243	10.0
207.11816	11.7
209.13332	13.5
223.14842	8.5
433.24054	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	434.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76086	0.8
52.49654	0.7
55.05518	1.2
67.05492	2.0
69.07061	2.3
71.04987	23.5
71.56924	1.2
73.06544	2.1
79.05488	2.2
81.07056	13.0
86.09722	0.9
91.05473	1.6
93.07044	13.3
95.08602	3.4
97.06535	6.2
98.97577	0.9
103.05448	1.3
107.08600	9.0
109.10162	5.1
111.08073	1.0
119.08588	1.3
120.08106	19.4
123.11708	8.3
127.03897	0.8
135.11690	20.6
153.12744	100.0
154.13074	1.5
166.08681	5.1
251.10439	52.3
269.11493	13.4
292.76855	0.7
299.20074	1.6
317.21161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01865	3.5
55.05496	3.1
56.96559	1.7
57.03411	1.7
57.07065	0.9
59.04998	2.3
61.02907	1.0
62.77642	0.9
67.05514	5.2
69.03426	9.2
69.07060	4.0
70.06480	1.9
70.06882	3.1
71.04977	3.6
72.68350	0.9
73.02927	1.9
73.76962	0.9
79.05504	5.1
81.03414	9.2
81.07052	11.1
83.04978	2.8
83.08598	2.1
85.02428	1.5
85.02905	22.1
85.06544	1.0
87.00828	9.1
89.03960	0.9
91.05482	5.7
93.07042	9.5
95.04962	3.3
95.08614	7.4
97.02890	12.1
97.06516	1.6
98.21404	1.3
98.97580	2.6
99.04452	3.7
103.05449	1.1
105.01859	9.3
105.07037	8.6
107.04941	2.5
107.08599	9.5
109.02885	9.0
109.06516	3.4
109.10140	11.2
110.46870	0.9
111.04436	1.4
111.08076	1.6
115.05497	1.3
116.98625	3.1
117.07038	1.4
119.08590	6.2
121.06504	3.8
121.10146	4.9
123.11728	4.5
127.00056	1.2
127.03913	16.9
129.06960	0.9
131.04930	1.3
131.08562	2.7
133.06502	1.7
133.10120	9.6
134.99654	2.1
135.04433	1.5
135.08066	1.9
135.11684	3.2
137.06001	2.6
137.09648	2.2
143.08574	0.9
145.04982	7.1
145.10132	3.7
147.04321	1.0
147.11729	2.1
149.05994	3.4
149.09607	1.6
149.13310	2.5
150.06779	3.3
151.11189	10.2
153.12801	1.2
157.10121	1.5
159.02846	4.5
159.08029	1.2
159.11691	3.4
161.06009	1.4
161.09563	1.2
161.13231	2.8
163.03891	4.1
163.11220	1.0
165.05479	1.3
165.09119	3.2
167.07042	6.1
167.14334	2.1
169.12262	6.1
170.99651	1.0
171.06577	1.4
171.11708	1.1
173.01251	1.0
173.13307	1.2
175.11195	1.8
177.00661	1.5
177.05428	1.9
179.07065	1.0
181.04970	9.4
182.05342	1.0
183.11697	1.3
185.13173	1.2
186.06589	1.4
187.04047	1.0
187.14857	1.1
191.06975	1.2
191.10698	1.6
193.12271	1.4
195.06589	1.2
199.14885	1.2
201.16451	3.2
209.08058	2.8
219.17493	2.5
227.05228	1.7
231.04996	3.8
233.08125	2.4
237.02774	2.6
237.18640	1.4
243.13896	1.5
249.05959	1.2
251.09265	1.3
261.02502	1.0
271.04193	3.3
299.19968	5.6
303.04910	1.6
317.21103	7.5
331.11639	3.6
349.12387	1.2
381.15375	1.3
391.13641	12.1
399.16537	8.3
404.13910	0.9
417.16428	1.9
425.11179	0.9
435.12634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	29.8
58.57511	10.3
59.04984	48.0
59.56440	11.5
67.05490	23.4
70.27097	54.6
77.72343	13.4
78.34482	9.6
79.05480	21.3
79.82204	10.4
85.06547	100.0
91.05467	37.0
93.07041	31.8
95.08620	29.1
98.21415	12.4
105.07014	45.5
107.08584	28.2
109.06518	15.3
109.10159	37.9
110.20935	11.5
111.08058	17.8
117.07013	17.7
119.08589	79.8
121.10156	27.8
125.09608	31.9
131.08600	23.3
133.10136	18.7
135.08075	20.3
135.11679	17.9
137.09625	22.7
143.08470	25.5
145.10130	37.9
147.11691	18.9
151.11137	36.5
155.08685	16.3
157.10120	15.9
159.11719	15.8
165.29640	11.4
171.11682	11.5
183.11610	13.5
195.11716	22.9
201.93768	11.2
215.14250	11.0
215.91977	10.4
221.13284	13.8
271.06021	14.7
316.38174	12.8
433.31161	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	433.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20803	2.2
53.03941	4.7
55.05514	65.9
55.70881	2.5
57.03439	3.5
57.68302	2.3
58.78540	2.4
61.32998	2.3
65.03925	2.9
67.05501	18.7
69.03417	4.1
69.07064	9.8
69.40471	4.4
69.40871	22.9
73.98694	2.2
78.81361	2.3
79.05511	15.1
81.07066	23.1
83.04986	100.0
83.08641	6.4
85.02908	2.8
91.05479	24.9
91.75395	2.4
93.07036	24.2
95.04960	8.0
95.08609	24.2
97.02885	6.1
97.06534	5.5
98.98482	2.7
99.04391	2.6
101.06038	11.0
105.07030	31.5
107.04984	5.2
107.07959	3.9
107.08602	44.6
109.06513	9.0
109.10152	22.2
111.04453	17.7
111.08070	4.7
117.07024	9.6
119.08585	40.5
121.06515	12.2
121.10136	24.3
123.08047	9.3
123.11700	7.8
125.05997	3.1
129.06995	4.7
131.08583	15.6
133.06491	2.9
133.10130	31.3
135.08057	72.3
135.11638	13.3
137.05899	2.8
137.09625	9.9
139.07515	2.9
142.07822	3.7
143.08524	13.5
145.10139	17.7
147.08080	5.7
147.11693	10.7
149.09636	12.6
149.13226	5.5
151.07544	4.8
155.08559	3.3
156.09349	9.6
157.10110	19.9
159.08000	3.1
159.11674	13.1
161.09595	10.5
161.13281	6.0
163.11177	4.6
165.09120	4.6
169.10158	7.3
170.77823	3.0
171.11714	14.0
173.09671	7.3
173.13289	10.5
175.11191	7.4
175.14830	3.3
177.09090	2.9
177.12733	6.8
179.10651	3.3
181.10114	5.4
183.11739	7.9
185.09586	4.7
185.13252	15.2
186.13857	3.2
187.11208	9.4
187.14833	7.7
189.16484	4.8
191.10713	3.9
193.12120	3.0
195.11656	7.9
196.12476	3.1
197.13231	6.4
199.11229	12.2
199.14861	10.6
203.10681	4.3
203.14363	4.7
205.15881	2.9
209.13239	3.8
211.14708	4.8
213.12811	15.8
213.16429	3.9
217.12221	6.3
223.11165	3.5
225.16391	4.7
227.10703	5.8
227.14392	3.1
227.17929	6.7
229.12303	3.5
231.13824	6.5
233.15398	3.7
241.19579	4.9
251.17966	5.7
255.13861	3.1
255.17413	8.5
257.15323	4.6
259.16852	3.2
267.17493	3.9
269.19049	15.3
271.17010	2.8
273.18408	6.2
279.17529	5.7
287.20108	20.3
297.18521	34.1
315.19571	63.8
333.20584	48.4
334.34659	3.8
335.25723	3.7
392.66977	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2585
Annotation	Espinosanolide 2-methylbutyrate
Peak:m/z	Relative Intensity
55.05511	36.6
57.03428	8.4
57.07065	8.4
67.05504	61.8
69.03443	3.9
69.07072	23.3
71.59679	5.5
71.60042	4.4
72.06403	3.9
74.41252	3.7
79.05481	32.4
81.07057	65.2
83.04974	25.9
83.08606	8.1
86.09702	5.1
91.05476	23.1
93.07041	45.1
95.08607	57.9
96.92764	3.8
97.10181	6.6
98.98472	57.2
105.07018	30.9
107.08595	48.4
109.06541	5.1
109.10159	33.0
117.06965	12.1
119.08573	32.0
121.06517	7.7
121.10156	30.5
123.08051	9.8
123.11680	14.1
124.99959	4.1
131.08568	21.6
133.06471	4.1
133.10135	26.3
135.08073	38.2
135.11681	19.5
137.09622	9.8
143.08568	7.6
145.10114	19.4
147.08006	6.3
147.11719	7.3
149.09583	5.9
149.13231	11.4
151.07556	4.9
155.01038	9.6
156.09370	4.7
157.10109	16.6
159.11679	27.5
160.53661	4.5
161.09612	11.3
161.13287	10.6
163.14824	10.5
165.09111	4.1
169.10121	8.0
171.11668	13.4
173.02084	8.2
173.09674	7.1
173.13220	11.2
175.07538	5.6
175.11142	13.4
177.09119	7.4
179.10577	7.1
183.11649	8.6
185.09598	7.6
185.13197	7.8
187.14822	12.3
195.11700	9.1
197.13263	5.3
199.11208	11.1
199.14861	6.3
209.09605	4.1
209.13300	7.3
211.14859	4.9
213.16307	4.6
223.11008	5.1
225.12711	5.6
227.10545	9.0
237.12689	5.1
237.16402	4.6
241.12253	6.1
243.21060	11.9
255.17265	8.4
261.16504	4.8
261.22250	39.3
269.19034	18.0
271.20456	4.4
279.17462	11.7
287.20004	9.3
297.18500	51.4
315.19507	30.6
317.24643	3.8
333.20435	9.7
335.25793	100.0
391.29950	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	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.8
55.01852	5.5
55.05515	65.5
57.07080	6.4
65.03945	3.6
67.05502	29.4
69.03408	7.0
69.07050	16.3
71.57483	5.0
79.05482	21.6
81.03453	5.5
81.07069	37.8
83.04983	100.0
83.08619	14.4
85.02883	4.4
85.06535	9.2
91.05467	23.4
93.07053	40.6
95.04961	13.4
95.08594	41.9
97.06529	6.9
98.98461	10.6
105.07037	42.3
107.08595	49.2
107.62231	4.2
108.08910	6.3
109.06493	11.7
109.10144	33.4
111.04424	9.5
114.33710	3.7
117.07006	12.4
119.08582	97.0
120.08913	30.7
120.91483	3.7
121.06554	10.1
121.10141	35.5
123.08034	7.9
123.11694	6.8
125.05996	4.8
128.06213	5.0
129.07002	7.6
131.08557	18.5
133.06496	4.8
133.10127	53.7
135.08076	43.7
135.11681	18.0
136.08403	6.9
136.27119	3.8
137.09612	8.2
139.07545	5.0
142.07768	5.5
143.08609	8.9
145.10124	31.6
147.04387	5.0
147.07974	5.9
147.11668	16.4
148.59859	4.5
149.09618	12.5
149.13245	10.0
155.08516	5.6
156.09341	4.3
157.10146	19.9
157.68637	3.8
159.11731	22.5
161.09610	10.0
161.13240	14.7
163.11160	12.6
163.14771	9.8
165.09116	5.6
169.10121	9.4
170.10866	4.4
171.11726	14.1
173.09628	5.5
173.13246	20.0
175.11201	11.1
175.14845	7.9
177.16429	6.2
183.11684	8.2
185.09535	7.2
185.13264	11.9
187.11180	6.6
187.14841	36.5
189.16382	15.7
195.11684	6.4
197.13319	7.9
199.11116	5.6
199.14819	6.4
201.12735	7.0
203.14276	8.1
205.12250	4.6
205.15862	34.4
207.17519	6.0
213.12762	4.4
215.14371	5.0
217.15834	4.3
220.99971	3.8
227.17876	4.2
229.12280	6.4
241.19565	4.3
250.64169	5.9
251.17891	6.6
255.17230	5.6
261.22253	6.7
269.19012	8.3
271.20642	6.8
273.18463	5.9
279.17224	5.2
285.18442	7.2
287.19849	8.3
297.18524	28.0
299.20038	12.2
301.21582	5.5
303.19254	5.8
315.19678	27.7
316.20013	4.0
317.21109	5.1
333.20590	17.0
335.25784	10.5
433.25809	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	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.1
57.32284	5.1
58.31973	5.8
61.31392	5.2
62.42984	5.0
67.05492	30.9
69.03423	16.7
69.07066	19.7
71.04991	12.0
74.19505	6.0
78.58193	5.2
79.05498	20.9
79.43918	5.4
81.07062	41.4
81.13563	5.2
83.04985	9.8
83.08625	9.9
83.11366	4.9
85.02905	7.4
91.05489	29.1
93.07059	48.1
95.04968	6.7
95.08614	46.3
97.02881	16.2
97.06547	29.7
99.04493	8.2
105.07041	41.0
107.04945	9.6
107.08594	42.3
109.02895	6.8
109.06522	14.1
109.10162	43.3
111.04442	15.8
111.08060	7.9
117.07040	8.2
119.08583	61.3
121.06484	11.1
121.10125	31.0
123.08087	14.1
123.11668	11.9
127.03906	11.7
131.08543	16.9
133.10155	31.0
135.04382	7.1
135.08109	14.4
135.11700	20.3
137.05966	11.0
137.09676	13.4
139.07445	6.5
143.08569	16.6
145.10133	30.3
147.08020	8.1
147.11691	37.1
148.56200	6.1
149.13332	7.9
151.07582	9.3
151.11179	12.7
155.08498	7.4
157.10158	12.0
159.11731	27.5
161.05859	6.8
161.09644	9.5
161.13261	11.5
163.03876	20.7
163.11165	8.6
163.14862	14.6
169.10127	10.2
171.11708	14.4
173.09567	7.5
173.13235	13.4
175.11273	7.7
175.14810	6.6
177.05588	6.1
181.04982	7.0
183.11784	7.4
185.13280	15.1
187.11218	6.8
197.13284	9.4
201.12889	6.8
211.14836	11.1
216.04366	5.5
243.13931	12.9
253.19640	9.3
257.19052	9.2
259.09705	10.9
271.20636	11.9
275.19992	15.7
281.18964	12.9
299.20056	54.6
317.21188	100.0
381.67349	6.5
433.14716	23.4
455.10406	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	433.2588
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
53.03942	2.3
54.01818	1.1
55.05513	49.5
67.05511	6.2
69.03445	1.1
69.07074	5.1
70.20435	1.9
70.20830	2.8
77.03966	1.0
79.05477	4.6
81.07065	9.4
83.04982	100.0
83.08624	1.4
85.73020	1.1
85.73537	1.1
88.51838	1.0
91.05481	7.5
93.07043	12.1
95.04971	2.4
95.08606	9.8
97.02861	1.4
97.06522	2.8
98.21401	1.6
98.98502	1.1
100.44749	1.0
101.06022	2.9
105.07032	12.0
107.04942	1.4
107.08601	16.6
109.06512	2.2
109.10150	8.0
111.04456	6.1
117.07027	2.6
119.08581	16.7
121.06494	3.7
121.10146	14.2
123.08037	3.2
123.11721	2.4
129.06946	1.7
131.08580	5.2
133.06467	2.0
133.10127	11.0
135.08064	19.5
135.11684	4.9
137.05978	1.9
142.07773	1.4
143.08575	5.0
145.10146	7.7
147.08025	2.7
147.11671	4.3
149.09601	5.4
151.07520	1.6
153.06960	1.1
153.09134	1.0
155.08546	1.8
156.09297	1.4
157.10133	8.1
159.08099	1.5
159.11670	7.7
161.09633	3.4
161.13164	1.2
163.11238	2.6
165.06958	1.2
167.10625	1.3
169.10133	3.3
170.10913	2.3
171.08109	2.1
171.11684	9.0
173.09599	2.5
173.13219	5.8
175.11235	2.4
175.14793	2.9
177.09169	1.3
177.12798	1.4
177.16336	2.5
181.10156	2.1
181.12244	1.5
183.11711	2.0
185.09586	1.7
185.13231	5.1
187.11215	3.1
187.14847	3.2
189.12717	2.4
189.16377	2.8
191.10698	1.7
195.11726	2.4
196.12424	1.4
197.09618	1.9
197.13231	3.1
199.11116	4.4
199.14774	5.2
203.10739	2.7
203.14252	1.5
205.12318	1.2
205.15863	1.9
209.13200	1.7
211.11201	1.3
211.14809	1.5
213.12715	6.8
213.16466	1.8
217.12238	2.6
227.10847	1.8
227.18022	1.3
231.13759	3.3
237.16299	1.5
241.12154	1.7
241.19586	1.8
251.17908	1.9
255.17453	2.1
269.19067	6.4
273.18423	3.2
279.17401	2.7
285.18506	1.2
287.19962	12.3
297.18494	13.0
315.19553	27.1
333.20535	11.4
335.25809	2.2
433.25873	6.5
456.22864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2583
Annotation	Vibsanin L
Peak:m/z	Relative Intensity
55.05508	79.0
57.03435	5.8
57.07072	4.1
65.03919	3.4
67.05500	40.6
68.62897	2.5
69.03429	5.4
69.07056	12.6
70.07409	12.6
71.04989	4.1
79.05489	28.2
79.57901	2.5
81.07049	41.3
83.04477	5.2
83.04974	100.0
83.05460	6.3
83.08629	6.4
86.09773	3.0
91.05475	29.2
93.07035	49.8
95.04967	11.2
95.08598	57.2
95.09173	5.4
97.06529	5.0
98.98450	17.7
101.06020	4.0
105.07009	38.5
107.04955	9.6
107.08585	42.0
109.06516	5.7
109.10146	28.5
111.04444	12.2
111.08078	5.3
115.05476	4.7
117.07042	14.2
119.04935	5.9
119.08572	39.4
121.06506	12.8
121.10130	30.4
123.08042	7.2
123.11678	8.4
125.09570	3.5
128.06241	4.2
129.07025	8.0
131.08543	25.8
133.06427	5.8
133.10127	30.3
135.08034	55.1
135.11687	14.8
135.12572	2.8
137.09616	12.4
139.07533	4.5
142.07726	6.2
143.08583	16.7
145.10092	33.1
147.04353	23.1
147.08008	5.5
147.11685	17.7
149.09607	10.9
149.13266	8.5
155.00925	3.4
155.08525	9.5
157.10095	21.1
159.08127	5.4
159.11702	27.1
161.09644	9.4
161.13261	7.1
163.11218	23.9
163.14882	4.4
167.08606	6.5
169.10130	10.8
171.08049	3.9
171.11670	14.4
173.02054	3.4
173.09636	5.4
173.13263	10.4
175.11075	6.6
175.14735	6.4
177.12814	3.5
181.10118	6.3
181.12222	6.5
183.11732	9.6
185.09634	8.0
185.13191	7.1
187.11205	10.7
187.14798	8.3
189.09135	5.7
189.12740	2.9
191.10677	3.9
194.10719	2.7
195.11729	6.4
197.13316	8.6
199.11185	8.1
199.14847	6.7
201.12764	4.5
203.10646	5.2
205.12265	10.1
209.13254	8.0
211.14871	6.2
213.12669	5.5
215.10719	7.3
217.12294	4.7
217.16226	3.0
220.87715	3.5
225.12738	3.7
227.10675	3.8
227.14284	3.4
227.17986	3.6
232.12497	3.1
243.13887	4.5
243.21172	5.5
251.17964	6.5
255.13914	4.7
255.17451	7.1
261.22137	11.5
269.19052	10.9
273.18295	3.1
279.17465	5.2
285.18423	7.9
287.19949	8.0
297.18494	39.6
303.19373	15.2
315.19476	58.1
321.24481	3.7
333.20584	66.0
335.25839	30.6
357.99625	3.1
415.24429	8.0
433.25821	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	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.3
67.05503	48.4
69.03418	10.0
69.07064	13.7
71.04991	4.2
73.03442	3.3
74.81264	3.5
76.82246	3.3
79.05489	10.3
79.81098	3.6
81.07070	17.5
81.07961	3.3
83.04977	12.6
83.08607	5.3
91.05476	12.7
93.07054	17.1
95.04969	48.6
95.08602	23.1
97.06528	10.3
104.44171	3.9
104.46465	3.3
105.07036	23.3
107.03004	3.2
107.08577	30.5
109.02875	5.8
109.06514	11.7
109.10152	74.1
112.61993	3.4
117.06963	7.9
119.08567	36.8
121.06478	13.2
121.10130	19.8
123.08067	13.1
123.11721	9.4
131.08553	13.8
133.10118	25.8
135.08049	100.0
135.11690	11.1
137.09573	16.6
143.08568	7.8
144.09488	4.0
145.06500	6.3
145.10112	14.1
147.08057	10.7
147.11729	11.1
149.09636	7.4
151.11157	4.0
155.08545	5.7
156.67856	3.3
157.10123	14.6
159.08083	8.0
159.11728	21.9
159.12852	3.6
161.09581	21.8
161.13254	17.0
163.07516	4.4
163.11214	9.7
169.10178	8.4
170.10886	5.6
171.11697	15.5
173.09636	15.2
173.13269	9.6
175.07515	5.9
175.11182	22.1
175.14883	7.8
177.12753	8.2
183.11707	9.8
185.13268	10.2
186.10397	6.6
187.11171	20.0
187.14879	7.4
189.12784	11.1
197.13234	11.1
199.14781	5.3
201.12744	10.4
203.10748	4.7
203.14355	23.0
205.15883	4.8
209.13322	6.1
211.11197	6.4
211.14865	5.7
213.16077	4.1
215.10674	15.0
215.14281	11.2
225.16306	3.9
229.12233	55.9
229.19429	5.2
237.16266	3.8
239.18016	13.9
243.13632	4.0
253.19675	6.6
253.79916	4.1
257.18988	47.8
271.20535	20.2
281.19040	7.7
299.20029	54.9
317.21219	10.0
373.23688	14.6
387.25284	19.9
405.26373	4.0
415.24753	80.4
433.25821	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	75.9
60.32233	7.8
62.80858	8.6
67.05492	24.7
69.07056	17.1
70.83182	22.3
70.83534	10.6
75.52840	8.8
76.50381	7.6
79.05497	17.0
81.02702	8.5
81.07058	38.9
83.04974	100.0
91.05479	29.8
93.07043	35.2
95.04957	19.4
95.08601	67.5
101.05997	12.1
103.20554	8.4
105.06993	46.7
107.04954	12.4
107.08605	44.0
109.10154	27.1
111.04462	25.8
115.05431	9.4
117.06987	12.7
119.04910	9.3
119.08575	58.4
121.06538	19.2
121.10150	36.3
123.08057	8.6
123.11691	8.7
129.06992	12.1
131.08582	31.0
133.10147	46.9
135.08046	72.1
135.11688	19.8
137.09686	20.6
139.07520	22.2
143.08540	30.6
145.10081	38.2
147.04407	35.0
147.08055	18.1
147.11615	17.8
149.09593	15.6
157.10109	34.6
159.07899	11.0
159.11710	36.3
161.09631	12.4
163.11176	44.1
169.10219	12.7
171.11642	25.3
173.13258	18.2
181.12340	10.0
183.11699	16.8
185.09662	10.4
185.13222	16.9
187.11127	14.0
187.14737	11.8
189.09224	10.8
195.11656	10.6
197.13359	13.4
199.11148	10.7
199.14861	14.1
205.12228	13.2
209.13249	11.6
213.12846	9.9
225.16414	10.3
279.17468	12.6
285.18570	21.4
297.18518	57.1
303.19473	29.4
315.19434	94.2
333.20639	67.2
374.85474	8.3
433.25552	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	433.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	67.1
56.05858	3.8
57.03411	3.7
57.07061	4.6
63.73400	3.3
67.05511	20.4
69.03426	7.2
69.07095	17.3
70.76038	7.1
71.04993	4.3
79.05505	19.9
81.07048	32.1
83.04981	100.0
91.05471	28.5
93.07063	31.3
95.04965	12.9
95.08614	26.2
97.06548	8.2
101.06013	12.7
105.04572	4.1
105.07033	43.3
107.04958	7.0
107.08595	39.2
109.06498	10.0
109.10164	18.6
111.04436	21.2
111.08070	4.2
117.07034	18.3
119.08585	44.0
120.27691	3.3
121.06496	9.8
121.10150	23.2
123.08039	8.0
123.11687	7.0
125.05993	4.7
129.07014	9.0
130.07732	3.9
131.08580	32.8
133.10124	32.2
135.08069	30.7
135.11668	10.6
137.09657	5.8
139.07518	5.1
141.07014	4.4
142.07713	3.6
143.08566	13.1
145.10121	30.3
147.11668	15.6
149.09608	13.5
153.09024	5.3
154.07732	3.8
155.08549	6.2
156.09390	6.7
157.10164	24.3
159.11694	24.3
161.09619	5.7
161.13231	5.1
163.11169	9.7
163.14854	4.8
165.07007	4.3
165.09096	5.1
167.08472	4.4
167.10739	4.2
169.10107	15.4
171.11716	21.9
173.06767	3.8
173.09610	7.0
173.13239	14.2
175.11198	8.2
175.14790	7.1
181.10161	7.3
183.11723	9.9
185.09621	3.9
185.13196	13.5
187.11186	12.2
187.14786	9.3
189.16425	6.0
191.10687	5.5
195.11719	11.5
196.12616	4.1
197.09673	6.5
197.13226	7.4
199.11168	11.0
199.14838	11.0
200.15431	4.3
201.12706	4.8
203.10506	4.2
205.12231	4.8
205.15813	5.8
209.13351	7.7
211.11227	5.2
211.14848	12.5
213.12680	5.8
215.10666	7.1
217.12280	4.6
229.12187	7.3
237.12799	5.4
237.16345	8.8
239.17838	4.1
241.12210	4.4
251.17914	8.7
253.15918	5.3
255.13721	5.6
255.17513	9.0
269.18951	13.1
271.16888	10.8
273.18344	8.7
279.17401	5.7
285.18463	19.9
287.20020	15.9
297.18478	41.1
299.19922	8.4
303.19525	10.8
315.19565	62.6
333.20584	68.0
351.21658	3.8
374.23727	4.3
433.26266	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	433.2583
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
51.55539	4.7
52.77605	3.9
53.03946	5.2
53.14069	4.6
55.05510	77.3
57.07081	6.9
66.90979	5.4
67.05495	18.3
69.03429	7.1
69.07057	10.2
69.80022	25.8
69.80437	9.3
72.32909	4.7
79.05476	11.9
81.07058	28.5
82.14784	4.2
83.04978	100.0
83.08644	6.0
85.06541	21.8
86.06711	4.5
91.05499	13.4
93.07056	27.9
95.04955	14.8
95.08597	42.1
97.06499	7.2
97.10192	6.6
98.20792	8.8
101.05993	5.6
104.54386	4.4
105.07021	38.7
107.08585	37.5
109.10159	24.8
111.04447	12.9
111.08060	12.4
117.07027	9.8
119.08582	53.1
121.06502	6.1
121.10136	39.4
123.08055	7.1
123.11713	7.9
127.03939	11.4
129.18889	4.8
131.08571	11.6
133.10121	80.9
135.08047	33.7
135.11697	26.7
137.09593	11.8
143.08649	5.1
145.10104	40.9
147.08067	8.9
147.11681	20.8
149.09630	13.5
149.13255	8.3
157.10092	23.9
159.11678	17.8
161.09595	10.7
161.13257	17.9
163.11124	9.8
163.14809	17.9
168.16971	4.9
169.10237	6.0
171.11671	13.8
172.12367	8.0
173.13332	12.8
175.11302	6.2
175.14847	10.8
177.12747	5.6
177.16382	15.9
183.11682	7.9
185.09560	5.3
185.13266	12.8
187.14838	86.7
189.16376	39.9
195.11667	7.1
197.13416	5.6
203.14293	5.8
205.15863	87.5
207.17461	13.9
209.13371	4.4
211.14917	5.9
213.12714	6.4
217.12192	7.4
227.17973	6.8
248.64136	5.4
255.17595	7.2
269.19046	11.0
287.19971	13.5
297.18484	23.6
298.18903	11.5
315.19589	46.0
316.19904	40.6
333.20520	25.3
415.25015	8.3
416.25107	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	433.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.6
55.05529	19.3
58.18009	3.5
62.14629	3.3
64.95083	3.5
65.03953	3.8
65.55478	3.3
67.05508	34.7
69.03432	6.2
69.07068	15.9
70.75025	11.7
71.04992	9.1
79.05503	25.7
81.07054	33.3
83.04996	9.6
83.08607	8.0
85.02926	5.7
85.06555	4.5
91.05475	24.9
93.07044	34.2
95.04980	9.6
95.08609	47.1
97.02868	7.9
97.06532	10.3
99.04473	8.6
105.07043	45.0
107.04947	5.5
107.08613	49.2
109.06529	10.7
109.10164	47.4
111.04454	24.0
111.08103	10.7
119.08587	79.8
121.06551	5.4
121.10156	31.6
121.38267	4.3
123.08067	9.7
123.11720	9.6
125.09669	3.9
129.06987	4.9
131.08554	18.5
133.06577	6.1
133.07597	3.6
133.10135	44.5
135.08054	14.8
135.11696	16.0
137.06053	5.5
137.09630	22.8
137.13242	4.2
139.07622	5.1
142.07811	6.7
143.08542	10.2
145.10146	23.9
147.08089	5.6
147.11671	39.4
149.13301	6.3
151.11226	11.0
157.10109	17.5
159.11658	27.0
161.09596	7.8
161.13274	14.5
163.11128	4.3
163.14857	15.1
169.10156	10.3
171.11768	21.8
173.09569	5.1
173.13261	18.9
175.11188	5.2
179.10686	4.8
182.44394	3.4
183.11710	13.8
185.13300	6.6
187.11212	10.0
187.14798	9.2
189.16498	5.8
197.13278	9.4
199.14859	9.5
201.12767	4.9
201.16350	10.2
203.10670	4.7
205.12328	9.2
205.15868	4.7
211.14859	5.7
213.16338	5.4
215.14343	3.8
221.26291	3.7
225.16362	4.4
229.12247	7.4
231.13721	4.6
233.15451	4.9
239.18044	10.2
243.13805	9.1
245.15593	4.5
246.45605	3.6
253.19542	11.0
257.19040	14.0
271.20682	4.7
273.18484	4.4
275.20126	13.7
281.18985	11.2
289.21527	4.2
299.20050	58.3
317.21146	100.0
341.20950	5.5
407.25751	4.9
433.20358	7.4
433.26111	7.7
433.69931	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	433.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.6
54.04261	3.4
54.75748	3.6
55.05503	16.3
57.16381	3.8
59.42870	3.1
67.05503	42.0
69.03426	13.2
69.07053	11.8
71.04989	17.1
71.59824	8.6
79.05488	13.6
79.80945	3.5
81.03405	10.1
81.07074	20.4
81.27239	3.4
83.04986	12.0
83.08614	9.4
85.02901	5.1
91.05486	17.3
93.07049	23.9
95.04979	42.1
95.08592	32.1
97.02869	4.8
97.06529	16.6
99.03906	4.0
99.04441	22.1
105.07015	24.3
107.08587	35.9
109.06506	7.1
109.10157	100.0
111.04412	5.5
111.08054	3.8
115.05440	5.2
117.06998	11.5
118.28686	3.6
119.08559	30.7
121.06528	9.3
121.10143	20.9
123.08088	10.7
123.11703	6.1
127.03896	9.2
129.06950	4.6
130.06491	4.3
130.07687	3.1
131.08618	10.4
133.10144	28.4
135.08061	87.8
135.11662	10.5
137.09601	9.2
142.07886	3.5
143.08551	9.3
145.10120	24.8
147.08043	9.5
147.11664	13.2
149.09540	8.0
149.13231	5.4
157.10132	15.5
159.08128	8.6
159.11685	23.1
161.09584	19.2
161.13275	14.2
163.11247	4.6
163.14832	5.4
166.62764	3.9
169.10114	6.0
170.10966	6.2
171.11647	21.2
173.09641	14.5
173.13193	19.0
175.07455	4.6
175.11186	17.5
175.14873	10.0
177.12752	5.4
181.04889	5.8
183.11633	6.3
185.13312	11.2
187.11206	18.4
187.14844	12.5
189.12761	14.4
191.10683	4.5
195.11696	5.0
197.13242	13.7
199.11218	4.2
199.14880	6.0
201.12730	14.8
203.10698	4.4
203.14330	16.5
210.14174	4.0
211.11314	4.7
211.14839	8.5
213.16417	10.8
215.10622	9.6
215.14267	9.3
215.17830	5.3
219.13788	4.5
225.12692	4.7
227.18024	5.6
229.12282	35.4
229.19492	6.5
237.16510	4.7
239.17859	18.3
244.48705	3.9
245.13615	4.3
253.19485	8.0
253.62175	4.5
257.19016	49.4
271.20560	24.7
281.18991	11.9
299.20062	93.7
315.19650	9.4
317.21045	10.9
373.23843	12.6
397.23807	5.3
408.71375	4.3
415.24847	31.3
431.78452	4.5
433.26437	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	433.2585
Annotation	Espinosanolide 2-methylbutyrate
Peak:m/z	Relative Intensity
51.20464	10.1
55.01850	9.1
55.05509	45.6
56.96562	17.5
67.05498	33.0
69.07064	11.9
79.05488	26.7
81.07040	41.8
83.04980	54.4
83.08590	15.5
85.06591	12.4
86.09683	38.4
91.05466	21.8
93.07033	45.3
95.08609	59.5
97.06554	12.8
105.07016	54.8
107.08591	61.6
109.10175	54.5
111.04447	10.6
111.08064	23.4
117.07059	12.8
119.08581	76.3
119.15898	9.5
120.68650	10.4
121.10149	56.9
123.11724	18.3
125.00009	19.2
131.08588	17.9
133.10143	83.3
135.08080	18.1
135.11668	17.7
137.09618	13.2
145.10104	43.9
147.04416	32.2
147.11661	39.5
149.13327	10.7
151.11203	17.1
157.10089	21.8
159.11656	22.6
161.13301	24.5
163.11206	11.1
163.14807	16.5
165.05505	10.6
171.11621	11.5
173.13272	11.9
175.14864	12.1
177.16431	14.5
183.11678	11.2
184.07335	72.4
185.13214	18.6
187.14804	61.9
189.16425	22.0
199.14809	10.1
205.15956	51.2
225.12910	11.7
240.09955	15.2
243.14027	9.7
278.63895	31.3
299.20007	58.0
301.21667	28.5
315.19534	11.7
317.17737	16.9
317.21078	100.0
333.20596	23.1
347.15475	13.8
362.68723	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	433.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03478	4.1
53.03944	5.2
55.05509	34.0
57.50430	5.1
59.94232	4.4
65.05727	4.1
67.05499	46.2
69.07060	16.9
69.44308	3.9
70.49229	18.4
74.95456	4.0
79.05495	19.0
81.07042	39.8
83.04545	7.5
83.04983	82.3
83.08613	11.8
88.73596	4.3
91.05478	34.6
93.07035	30.8
95.04981	9.2
95.08608	65.2
97.06515	5.1
97.10167	9.2
101.05973	6.3
105.07028	44.9
107.04967	9.3
107.08590	52.5
109.06497	8.4
109.10155	42.6
111.04401	8.4
111.08107	4.9
117.07024	11.0
119.04926	28.6
119.08580	51.3
119.86968	4.9
121.06495	17.1
121.10172	21.1
123.08062	9.4
123.11732	11.1
129.07014	8.4
131.08551	23.9
133.06491	10.8
133.10133	36.6
135.08057	91.1
135.11671	17.2
137.05930	5.5
137.09619	19.2
143.08539	12.2
145.10120	25.8
147.04419	85.1
147.08058	10.2
147.11684	18.0
149.05995	6.8
149.09598	7.4
150.20663	4.6
151.07564	6.1
151.11255	5.7
155.08554	8.9
157.10139	20.0
159.08034	9.6
159.11673	31.5
161.09613	16.6
161.13261	14.1
163.11189	8.5
163.14832	7.0
165.05432	19.1
165.09161	6.9
167.10736	5.2
169.10143	6.8
170.10870	5.6
171.08022	9.2
171.11684	22.6
173.09718	10.8
173.13234	15.6
175.07471	4.8
175.11171	22.5
177.09093	16.4
177.12775	5.4
177.16351	5.7
180.09235	5.1
181.10086	8.4
182.10956	5.9
183.11699	13.3
183.17934	5.1
185.09595	11.2
185.13286	14.1
187.14812	11.8
195.11710	8.4
197.13246	15.3
199.11147	15.2
199.14790	8.7
203.10628	6.1
203.14235	4.9
205.15930	4.8
209.13280	9.9
213.12816	13.6
215.10692	5.7
215.14388	5.2
215.17908	8.3
217.12198	7.3
223.14700	6.3
225.12852	6.5
227.10712	13.7
227.14287	4.7
227.17934	12.4
229.12048	4.9
233.18942	5.6
237.16319	7.1
241.12238	6.0
241.19420	9.1
243.13855	6.1
245.11697	5.9
251.17911	18.0
251.20119	16.8
255.13757	12.2
255.17433	14.0
269.19003	36.4
271.20776	6.4
279.17468	21.5
287.17075	4.7
287.19992	24.7
297.18466	100.0
315.19501	65.5
317.49991	4.8
333.20569	18.1
433.25595	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	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08414	3.1
55.05498	11.9
57.03420	4.3
57.07052	5.2
60.51503	3.2
67.05511	34.5
68.59270	3.3
69.03422	9.9
69.07062	14.9
70.42525	3.0
71.04990	10.2
79.05495	17.8
81.07061	37.6
83.04986	11.1
83.08611	9.2
85.06539	6.2
91.05477	26.5
93.07033	37.3
95.04946	8.3
95.08606	47.9
97.02866	9.7
97.06523	10.7
99.04460	11.0
105.07030	40.3
107.04976	6.3
107.08596	44.5
109.06462	6.1
109.10174	41.9
111.04453	21.3
111.08060	9.2
115.05444	4.6
117.06998	10.9
119.08588	59.0
121.06499	7.1
121.10111	24.5
123.08091	4.9
123.11689	16.5
125.09672	4.8
129.07002	8.4
131.08615	20.0
133.06503	4.5
133.10141	45.7
135.08046	9.7
135.11673	16.6
137.06024	5.7
137.09589	19.0
139.07578	6.1
143.08571	11.0
145.10124	30.1
147.04407	7.3
147.08101	7.0
147.11723	33.4
149.09608	4.3
149.13246	8.5
151.11182	14.5
153.09096	6.9
155.08549	8.8
157.10065	10.8
157.54214	3.6
159.11671	31.4
160.79018	3.4
161.09630	8.3
161.13257	15.0
163.11147	5.6
163.14774	10.4
169.10144	8.4
171.11673	18.1
173.09619	4.1
173.13246	18.8
175.11209	3.7
175.14835	6.3
183.11682	11.9
185.13205	9.4
186.14003	3.7
187.11211	12.4
187.14824	10.1
189.16370	7.9
191.10690	6.4
197.13275	11.8
199.14749	8.9
201.12817	6.4
201.16336	6.8
203.10707	4.7
205.12169	8.6
205.15912	7.4
209.13353	4.8
211.11180	4.0
213.16235	6.0
225.12805	4.9
225.16356	4.2
227.17894	5.5
229.12206	7.9
229.32053	4.1
239.17787	8.7
243.13765	9.1
245.15437	5.2
253.19446	12.0
257.18958	13.2
271.20587	9.2
275.20108	13.1
281.18976	14.0
289.21536	4.5
299.20053	67.7
302.69916	3.5
311.20111	4.6
317.21118	100.0
317.24615	7.4
318.21500	5.5
329.20978	7.1
413.16214	7.8
413.66394	6.8
415.21005	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	433.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
55.01868	3.4
55.05510	27.3
57.03444	29.3
57.07077	4.1
61.02930	59.6
63.52570	2.8
65.03938	3.1
67.05508	39.5
69.03429	33.9
69.07069	22.8
69.27758	2.2
70.06580	3.0
71.01360	2.9
71.04992	11.4
71.60295	4.3
73.02915	38.3
75.04477	23.2
79.05496	28.7
81.03420	23.4
81.07061	79.0
83.04981	10.0
83.08614	20.5
85.02911	71.6
85.03436	3.3
85.06554	10.4
87.04479	4.2
91.03958	36.6
91.05482	28.8
93.07044	30.3
95.04977	8.7
95.08611	93.6
97.02893	62.3
97.06526	23.3
97.10168	8.5
99.04430	13.3
99.08102	7.1
100.11229	3.9
101.02357	11.7
103.03945	8.8
105.07040	29.2
107.04960	5.6
107.08604	23.2
109.02860	13.3
109.06521	3.7
109.10155	16.8
111.04430	5.8
111.08077	4.7
113.09653	3.3
115.03929	5.0
115.07603	2.4
117.07045	4.9
119.08575	42.7
120.08128	4.5
121.02840	3.8
121.06562	3.6
121.10143	12.8
122.72254	2.3
123.04375	2.8
123.08070	4.1
123.11712	2.6
125.09502	3.7
127.03902	28.8
129.05486	7.3
131.08568	8.4
133.10139	33.7
135.11693	16.2
137.05989	3.0
137.09608	6.7
137.13263	9.0
140.50177	2.1
143.08540	4.2
145.04927	11.1
145.10129	17.9
147.04425	5.9
147.06528	3.6
149.13248	3.8
151.07603	2.4
153.01823	4.9
157.10143	6.8
159.06583	4.1
159.11717	13.7
161.05983	3.6
161.13254	62.1
163.03862	3.2
167.07062	9.4
167.14345	3.2
171.06541	3.3
171.11664	5.5
173.13272	7.0
175.14871	3.5
179.14305	49.7
181.04965	20.5
183.06570	9.0
183.11755	4.5
185.13275	6.9
187.14819	17.4
197.13292	3.4
197.15356	6.8
199.14824	10.3
201.07629	7.3
201.16457	8.4
203.14314	3.6
213.16423	5.5
219.13864	2.3
221.08125	7.3
233.08005	2.6
235.16948	3.0
238.20584	2.9
251.16302	3.5
253.17970	18.7
259.09595	4.4
271.19043	100.0
287.05499	74.4
288.05869	5.7
307.15280	2.3
313.19836	2.6
357.50293	2.6
403.13864	14.8
405.31616	5.5
415.23288	9.5
415.29788	2.4
432.76495	22.0
433.14874	9.3
433.24863	22.3
433.31177	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	433.2437
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
50.16533	1.6
53.03939	5.2
55.01860	5.3
55.05515	22.8
57.03439	23.1
57.07064	2.2
60.70652	1.6
61.02932	69.1
64.28540	1.6
65.03938	4.2
67.05512	38.0
69.03432	35.2
69.07075	23.4
69.36076	18.3
71.01358	2.6
71.04996	19.4
73.02551	2.8
73.02923	33.1
73.06573	2.1
75.04478	2.3
75.05061	1.9
79.05497	21.8
81.03042	2.1
81.03430	22.5
81.07063	77.4
83.04974	8.1
83.08626	17.1
85.02913	79.1
85.06526	9.4
85.46818	1.5
86.03261	2.1
87.00841	3.7
87.04476	4.0
87.93143	1.8
91.03960	37.3
91.05491	22.4
93.07052	21.9
95.04991	8.3
95.08614	86.8
97.02901	67.9
97.06538	20.7
97.10191	5.0
98.03271	1.6
98.20749	2.7
98.97601	2.8
99.04462	11.5
99.08101	7.9
101.02380	11.4
103.03954	10.2
105.07040	24.3
107.04925	2.5
107.08586	12.3
109.02895	17.7
109.06525	7.1
109.10168	11.1
111.04478	1.9
111.08080	6.3
113.09604	2.0
115.03936	6.0
117.05489	3.0
117.07010	3.9
119.08594	30.8
121.06433	2.3
121.10143	11.5
123.08034	6.6
125.09666	1.9
127.03938	30.8
128.04242	2.6
129.05472	6.4
131.08571	3.9
133.06476	3.2
133.10138	21.7
135.04393	2.2
135.10785	1.9
135.11696	7.7
137.06017	2.2
137.09633	5.0
137.13266	9.6
141.09070	2.0
143.08601	1.8
145.04967	10.2
145.10112	4.1
146.05356	2.2
147.06493	4.2
147.11703	4.3
149.13257	2.1
157.10162	2.6
159.06496	3.3
159.11646	3.6
161.06003	3.5
161.13268	57.1
161.55800	2.0
162.13663	2.1
163.02557	1.7
163.03912	4.9
167.07040	3.5
169.10219	2.4
171.06490	3.2
175.40759	2.1
179.12747	2.6
179.14325	52.3
181.04973	15.2
183.06526	3.0
185.13307	3.6
187.06017	1.9
187.14774	1.9
193.08611	1.8
197.15381	7.1
201.07603	5.1
201.16391	2.1
213.09183	2.2
213.12834	1.6
219.01880	1.9
221.08163	6.6
235.55513	2.3
249.07506	2.2
253.17917	16.7
254.18593	2.1
255.20938	2.5
259.09616	3.3
271.19070	100.0
272.19461	2.7
295.18936	2.4
301.21503	2.0
356.38672	2.0
371.41443	1.8
379.21027	2.2
397.22513	2.8
403.13977	8.3
415.23270	5.2
433.14975	5.6
433.24484	26.5
433.33621	7.0
444.49402	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65231	1.4
53.03938	2.5
54.02029	1.4
55.05512	12.5
57.03440	10.6
57.07056	2.3
59.04993	6.0
65.03942	2.1
65.60625	1.6
67.05505	51.1
69.07075	10.3
69.43488	15.7
71.00437	1.8
71.84358	1.5
75.04468	2.1
79.05497	29.4
81.07056	50.5
83.04967	4.0
83.08604	6.3
91.05486	16.9
93.07048	35.6
95.04971	2.6
95.08611	42.9
97.06540	2.8
97.10178	3.5
98.98469	61.6
105.07034	18.0
107.08597	34.1
109.06495	2.5
109.10165	20.8
111.04363	2.1
111.08105	1.7
116.99507	2.4
117.06985	4.6
119.08583	17.5
121.10147	22.3
122.95651	1.5
123.08080	2.6
123.11715	8.5
129.06967	1.6
131.08566	9.4
133.10144	14.9
135.08041	2.9
135.11710	12.1
137.09593	2.7
137.13300	3.8
143.08450	1.9
145.10118	11.6
147.11714	8.5
149.13275	11.9
151.11203	2.2
155.01070	7.3
155.08553	3.0
157.10130	2.5
159.11696	10.9
160.12164	2.0
161.13254	7.9
163.14832	8.9
169.55119	1.8
171.11746	1.8
172.11961	1.9
173.02142	12.6
173.13271	7.3
175.14789	2.8
177.16347	3.4
185.13243	1.6
187.14836	4.4
201.16397	3.4
205.15906	2.9
213.16312	1.8
233.22668	1.6
237.16478	2.3
243.21133	13.7
255.17514	2.0
256.17819	3.1
261.22137	42.2
299.20251	3.1
315.19589	2.8
316.19910	6.9
317.21082	7.1
317.24759	7.0
335.25806	100.0
336.26025	2.9
375.27994	1.7
392.21933	1.9
403.56113	2.0
415.22491	3.9
433.23007	1.8
433.28561	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	433.235
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.43050	1.4
52.11198	1.3
53.03952	1.5
55.01896	1.6
55.05313	1.4
55.05516	16.6
56.96548	2.7
57.03429	8.3
57.07063	5.3
67.05508	46.1
69.03423	2.5
69.07067	10.0
71.08620	1.5
79.05501	30.7
81.03417	1.8
81.07058	48.2
83.04979	20.1
83.08611	5.7
84.22603	1.3
85.06556	2.7
91.05486	17.0
93.07053	38.7
95.04963	7.2
95.08614	39.7
95.09227	2.0
97.02898	1.7
97.06517	4.4
97.10192	2.4
98.98473	46.1
99.08093	4.2
105.07044	13.0
107.08596	25.9
109.06483	3.0
109.10159	17.5
111.08051	2.7
113.09660	1.9
115.05400	1.7
116.99459	1.9
117.07005	6.5
119.08582	15.1
121.02882	2.8
121.10149	22.3
123.08003	2.3
123.11678	7.7
125.09610	1.9
131.08553	12.0
133.10127	12.3
135.08054	7.8
135.11711	16.3
137.09618	2.7
137.13277	2.4
143.08537	1.7
145.10120	10.9
147.11705	8.2
149.13274	10.5
150.64429	1.5
151.14816	1.9
153.12695	1.8
155.01047	5.7
159.11687	10.1
161.09578	4.3
161.13271	7.6
163.14813	8.1
165.16365	1.8
171.11632	3.9
173.02147	8.8
173.13254	8.7
175.11223	3.5
175.14793	4.3
177.12805	2.2
177.16498	3.7
187.14819	6.3
189.12712	2.1
201.16373	2.0
203.14294	6.9
205.15857	2.1
229.23814	1.7
233.22717	2.7
243.21062	19.9
261.22165	43.4
297.18600	1.8
299.20032	2.4
301.21811	2.0
315.19522	4.3
317.21109	3.2
317.24667	5.3
332.34387	1.5
335.25824	100.0
336.25992	3.5
415.22406	1.7
445.37177	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03942	1.9
55.05511	12.9
56.11901	1.3
57.03450	10.5
57.07069	2.7
59.05013	9.2
60.05326	2.3
65.03933	1.8
67.05507	49.7
69.07081	9.8
69.99580	6.4
71.08627	1.7
77.30835	1.2
79.05498	26.1
81.07060	55.5
83.04994	3.9
83.08625	4.1
85.06518	1.8
91.05494	15.2
93.07052	37.0
95.04973	3.7
95.08614	42.9
97.06525	1.9
97.10208	1.9
98.98475	68.0
99.08076	2.0
105.07033	18.9
106.07331	2.1
107.08609	23.4
109.06496	1.8
109.10155	20.6
109.10841	2.2
111.04427	2.5
117.07027	4.9
119.08582	11.8
121.10147	17.3
123.11703	10.1
131.08594	11.5
133.10129	10.8
135.11678	15.5
137.13235	3.3
140.01089	1.9
143.08546	1.8
145.10126	9.7
146.10526	1.7
147.11716	7.5
149.13257	15.5
155.01053	7.6
155.08511	2.5
156.08989	2.7
157.10173	3.9
158.10451	5.6
159.11696	12.8
161.13278	6.5
163.14861	6.4
163.87369	1.8
171.11703	3.0
172.12032	2.3
173.02109	11.5
173.13217	8.5
175.14795	3.4
177.16454	2.8
183.11740	1.8
184.12048	1.5
184.57727	1.4
187.14813	4.0
195.11693	2.1
197.13045	2.5
198.13554	1.7
205.15839	2.4
211.14789	1.9
212.15288	2.7
213.16417	2.1
214.16837	3.3
222.13867	1.6
235.34523	1.5
238.16768	4.9
243.21153	12.3
255.17480	4.3
256.17795	9.1
258.15649	1.6
261.22162	43.6
262.22446	1.6
279.23224	1.9
280.17856	1.8
298.18890	4.1
310.02148	1.7
315.19611	5.0
316.19922	19.9
317.24786	3.9
335.25800	100.0
336.26236	3.9
337.81277	1.4
346.54498	1.5
415.22501	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
56.04826	0.6
56.05038	6.6
56.96556	1.2
57.03421	1.9
58.06600	1.5
59.06112	2.9
69.03432	3.6
69.07053	1.0
70.06576	0.8
71.51820	0.8
72.08147	1.7
73.02899	0.9
74.06081	45.5
75.04504	0.7
81.03421	3.1
82.06618	1.2
83.06107	0.6
84.04108	0.8
84.04505	20.1
84.08173	0.8
85.02903	6.1
85.78372	0.5
86.09704	39.4
87.04468	1.3
88.04008	0.9
90.05560	2.5
93.20659	0.7
96.04503	1.2
96.85508	0.6
97.02882	5.2
98.97610	0.8
98.98478	0.7
99.04446	4.3
99.09200	1.2
102.04932	1.1
102.05544	11.7
103.03947	4.9
106.10714	0.7
109.02886	3.1
113.07134	1.0
115.03911	1.0
119.04910	3.2
127.03916	100.0
127.08635	0.9
128.04250	2.6
129.05707	0.6
129.06598	3.0
133.04982	2.1
137.28885	0.6
141.06607	2.6
142.12282	1.0
145.04959	5.1
145.09773	1.2
147.04405	8.9
152.10701	3.3
155.08186	1.5
163.06009	1.1
166.27011	0.6
170.11769	2.8
173.09229	6.6
187.05939	0.9
187.14426	0.8
191.10271	36.2
197.12863	7.7
201.08739	1.0
215.13905	20.1
221.05112	1.1
225.12277	4.5
243.13426	8.2
259.05719	0.6
280.16595	1.0
286.17545	0.8
298.17633	1.9
301.11996	0.9
326.17099	9.8
344.18204	3.1
351.20209	3.5
379.19824	1.7
397.20789	9.8
415.21851	3.6
433.16821	88.7
434.17102	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	433.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.03057	0.8
56.05037	5.4
56.96555	1.1
58.06596	2.5
58.78281	0.8
59.31551	0.8
69.03430	3.9
69.40971	7.8
70.06606	0.9
72.08160	1.8
74.06081	50.2
81.03416	3.3
83.70440	0.7
84.04508	24.8
85.02916	7.6
86.06086	0.8
86.09707	38.7
87.04467	1.5
90.05569	1.9
91.05470	1.5
96.04495	1.5
97.02891	6.0
98.20651	1.5
98.97574	1.0
99.04453	4.3
101.07245	0.9
102.05544	12.8
103.03937	4.1
107.53290	0.8
109.02885	2.8
111.04487	1.0
113.07121	1.2
115.03893	1.4
116.98602	0.9
119.04954	3.3
127.03921	100.0
127.08701	1.8
128.04271	2.4
129.06621	3.6
133.05017	2.5
133.10080	0.8
141.06665	1.3
142.12296	1.2
145.04950	4.4
145.09734	1.2
147.04408	11.3
152.10704	4.0
155.08229	1.3
170.11827	3.8
173.09230	7.3
189.00629	0.9
191.10272	33.2
197.12880	8.9
199.83446	0.9
201.08784	1.4
206.96669	0.9
215.13910	25.0
225.12398	5.1
237.02849	0.9
243.13409	7.1
255.56828	1.0
271.08173	1.2
286.17648	1.8
314.01996	0.8
326.17117	9.4
344.18292	3.1
345.34302	0.8
351.20294	2.9
397.20764	9.9
415.21771	4.5
433.16867	55.3
434.17227	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01865	0.3
55.05510	0.6
56.05040	3.3
57.03426	1.1
58.06593	1.3
59.05006	0.4
59.06124	4.6
60.04504	0.5
61.02927	0.4
69.03432	4.5
69.07077	0.3
70.00784	0.7
70.01202	1.2
70.06573	0.4
70.35961	0.3
71.04987	0.7
72.08157	3.2
73.02919	0.9
74.06083	19.4
74.63462	0.3
75.04516	0.3
81.03421	3.4
82.06580	0.5
84.04506	10.0
85.02908	7.5
86.09709	17.2
87.04461	1.3
90.05558	0.8
91.05465	1.1
95.04984	0.6
96.04491	0.7
97.02892	4.9
99.04467	4.6
102.05538	5.8
103.03938	4.1
105.07074	0.4
107.04958	0.5
109.02876	3.2
111.04483	0.6
111.75019	0.3
113.07152	0.6
115.03933	1.9
117.05488	0.4
118.06510	0.4
119.04946	2.4
120.04453	1.5
122.06054	0.7
123.04430	0.4
126.05515	1.5
127.03919	100.0
127.08688	0.8
128.04250	2.9
129.05708	0.4
129.06580	1.8
132.04442	4.6
132.10213	0.5
133.04980	1.2
134.06012	0.5
134.96214	0.3
135.04466	0.4
138.05467	0.5
139.04005	0.3
141.06613	0.9
144.06523	0.5
145.04964	4.2
145.09738	0.5
146.06012	0.8
147.04408	8.4
148.04828	0.5
150.05498	3.6
152.10753	1.5
155.08159	0.7
158.05930	0.4
163.06039	1.0
168.06561	0.8
170.11827	1.6
171.74954	0.4
172.07607	0.9
173.09224	3.0
173.12914	0.4
181.04985	0.7
185.81480	0.3
186.07631	1.2
187.06026	0.7
187.14377	0.5
191.10272	14.5
197.12833	4.0
200.07076	0.5
201.08704	0.6
201.12407	0.7
215.10588	0.5
215.13913	9.4
218.08087	1.8
218.97383	0.8
219.13309	0.5
221.08180	0.5
225.12387	1.7
236.09230	0.4
243.13414	4.0
253.07138	0.4
254.10226	0.8
259.06152	0.4
271.00769	0.3
271.08228	0.5
272.08286	0.5
272.11301	11.3
286.17542	0.4
298.17719	0.7
325.06091	0.4
326.17126	3.8
344.18286	1.1
351.20398	1.7
393.02466	0.4
397.20779	4.9
411.03586	0.4
415.21753	1.8
433.16974	8.0
433.22894	0.7
434.16904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82806	0.3
56.05040	1.7
56.05261	0.3
57.03432	0.7
58.06608	0.5
59.06106	1.1
69.03440	0.8
69.70298	1.7
69.70718	0.7
74.06080	9.7
79.05515	0.4
81.03410	0.5
81.07036	0.5
83.62601	0.4
84.04494	5.4
85.02896	1.7
86.09705	8.6
86.23540	0.3
87.04462	0.7
90.05558	0.4
96.04461	0.5
97.02875	1.1
98.97560	0.4
99.04449	0.9
102.05550	2.6
103.03941	0.5
109.02877	0.8
115.03934	0.7
120.51399	0.3
127.03921	16.1
129.06599	0.7
133.04939	0.6
141.06552	0.8
145.04973	1.0
147.04443	0.9
152.10699	0.8
155.08142	0.5
170.11794	0.5
173.09193	1.7
181.05013	0.7
191.10252	7.7
197.12822	2.4
201.08812	0.4
203.04103	0.5
215.13927	6.1
221.05054	2.0
225.07022	0.7
225.12367	1.1
237.02844	0.4
243.13393	2.0
295.09686	0.4
298.17746	0.5
301.11969	1.5
326.17172	1.9
344.17831	0.7
351.20462	0.8
386.01172	0.4
397.20932	2.7
415.21796	0.6
433.16827	100.0
434.17108	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	433.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01860	4.3
55.05488	2.4
59.08274	0.7
62.66713	0.8
65.03932	6.6
66.04720	0.9
67.05507	4.0
69.03422	4.2
69.07059	2.2
69.14285	0.7
70.91431	1.9
71.01339	3.7
71.04982	1.8
73.37840	0.7
77.03897	1.3
78.04691	2.1
79.01854	0.7
79.05495	5.8
80.06259	1.0
81.03410	1.8
81.07058	5.3
82.04172	1.9
83.04956	2.2
85.02914	3.9
87.00833	1.4
90.04624	1.0
91.05478	47.2
93.03402	2.2
93.07048	4.8
94.04158	1.3
95.04968	8.8
95.08619	4.0
97.02886	4.8
97.06501	2.6
103.05457	4.0
105.03399	6.9
105.07012	5.2
106.04141	1.8
107.04938	7.2
107.08569	3.4
108.02132	0.9
108.05754	3.9
109.02863	1.6
109.06504	6.7
109.10147	3.3
110.03661	2.0
111.04456	4.2
111.08107	0.9
115.03932	0.9
115.05427	1.6
116.06280	1.4
117.07015	1.6
117.40009	0.8
118.04144	3.2
119.04945	26.3
119.08571	3.2
120.05666	3.0
121.02874	3.0
121.06515	4.7
121.10117	2.3
122.03635	2.4
123.04398	7.3
123.08083	2.3
123.11701	1.2
125.05980	3.8
127.03917	1.3
129.07010	0.9
131.04922	2.2
131.08589	2.2
133.02849	17.9
133.06490	13.1
133.10075	2.0
134.03598	2.3
134.07283	1.1
135.04376	3.6
135.08066	2.5
135.11667	1.8
136.05186	17.4
137.02423	0.8
137.05971	22.0
138.02995	1.1
138.06737	1.3
139.03889	3.7
140.04639	4.4
142.02618	1.5
143.08537	1.6
145.02847	0.9
145.06526	1.4
145.10124	2.8
146.03586	2.4
147.04414	11.1
147.11586	1.2
148.05193	7.1
149.02362	1.3
149.05972	2.3
149.13245	2.4
150.06752	1.1
151.03864	3.0
151.07538	31.0
152.04655	1.3
153.05463	16.3
154.06258	4.0
155.07045	9.9
157.10040	1.4
159.11644	1.8
161.05971	4.3
162.06747	1.2
163.03903	3.3
164.04672	7.9
165.05479	36.0
166.06252	10.0
167.07033	6.0
169.04988	1.9
169.10207	1.1
171.06595	3.8
171.11702	1.6
173.05997	1.4
173.13181	1.2
175.03929	1.2
175.07553	1.3
176.04613	2.0
177.05479	11.7
179.07027	17.7
180.07809	29.6
181.04953	88.0
182.05345	2.3
183.06534	2.3
185.13358	1.4
191.07071	1.9
193.04939	12.7
195.06516	1.6
196.07387	0.8
197.08095	3.3
201.12698	1.3
205.08661	1.4
207.06525	100.0
208.07298	72.2
209.08012	6.7
213.16357	1.2
217.08524	1.0
225.07568	40.6
225.16365	0.9
226.08350	59.7
227.08772	1.2
233.08034	4.1
235.09631	2.8
251.09152	1.3
259.09644	1.0
311.19882	1.4
329.21072	1.4
415.13589	0.9
415.21368	1.6
433.15817	1.7
433.21521	1.5
433.30978	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1495
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03934	1.3
55.01854	1.1
57.03419	0.9
57.53080	0.3
65.03935	6.6
67.05506	2.8
68.99769	0.5
69.03428	2.7
69.07063	0.9
69.78062	2.1
69.78472	0.6
70.06577	1.1
71.04968	0.6
72.08141	1.1
78.04684	0.5
79.05490	7.3
81.03386	1.4
81.07043	1.6
82.04190	3.1
83.04975	0.5
84.04475	0.5
84.08101	0.4
85.02433	0.4
85.02909	6.5
86.09703	3.7
87.00814	0.3
91.05496	2.7
93.03384	1.1
93.07018	0.9
94.04173	0.4
95.04975	5.7
95.08591	0.7
97.02870	1.7
97.06509	2.4
99.04432	1.2
103.05467	1.3
105.01804	0.5
105.04511	0.5
105.06383	0.6
105.07034	7.2
107.04955	16.4
107.08610	0.7
108.02087	0.8
108.05282	0.6
109.02865	0.9
109.06499	0.5
110.03669	2.7
111.04470	2.2
111.08130	0.5
115.05424	1.5
116.98614	0.4
117.07008	0.5
119.08585	0.4
120.08069	0.5
121.02825	0.8
121.06474	0.7
121.10117	0.7
123.00808	0.5
123.04435	4.1
124.05200	2.4
125.02361	0.4
125.05986	5.0
125.09639	0.7
127.03886	2.6
130.06567	0.4
131.04903	1.3
132.08052	0.5
133.06497	9.0
133.10112	1.1
137.05972	1.3
138.03084	2.0
139.11101	0.4
140.04665	1.7
142.02615	2.7
143.04944	0.7
143.06013	0.5
145.02858	0.6
145.05045	0.4
145.06450	0.8
146.11836	0.5
146.99559	0.5
147.04385	0.4
149.05966	0.7
149.09596	0.6
150.09984	0.4
151.03873	0.6
152.04660	1.6
153.01775	0.5
153.05452	1.6
155.07016	1.8
155.10684	0.5
159.09184	0.5
160.05238	0.5
161.05983	11.2
163.03903	0.7
167.07047	20.9
167.10643	0.7
171.06546	7.7
175.07600	0.6
177.05467	0.8
178.06219	1.1
181.04956	100.0
182.05295	2.4
183.06555	1.8
184.07343	0.4
185.11801	0.9
188.04747	0.4
188.06999	0.7
189.05411	1.9
191.07013	0.7
193.08609	15.0
194.08977	0.4
201.12558	0.6
205.08380	0.5
206.05763	1.4
207.06474	0.4
210.06935	0.4
219.06401	0.4
221.08084	31.2
222.08524	1.0
233.08122	0.9
249.07584	15.5
253.17897	0.5
263.14157	0.6
265.08673	0.7
287.05511	8.8
288.05844	0.6
291.23627	0.4
297.11267	0.6
325.10892	0.8
342.10986	0.5
357.13318	0.6
372.12103	1.4
373.12692	1.2
403.13879	83.8
404.14160	4.8
425.78610	0.4
433.15652	3.2
433.20535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1345
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
51.73200	0.3
53.03944	0.7
55.01875	0.3
58.37178	0.3
59.83045	0.3
61.02915	0.4
63.54717	0.3
69.03432	2.2
70.92586	0.4
70.92917	0.5
71.05000	0.4
79.05530	0.4
81.03403	2.1
85.02905	5.3
97.02893	3.8
99.04458	3.1
103.03944	4.5
107.04955	0.7
109.02870	2.2
115.03922	0.5
123.46396	0.4
127.03919	100.0
128.04292	0.7
145.04958	4.8
161.05977	0.6
164.77434	0.3
167.07027	0.8
168.81041	0.3
181.04988	3.2
187.06032	1.1
193.08643	0.4
205.06932	0.4
221.08093	0.9
233.08081	0.3
249.07631	0.6
271.08194	0.6
403.13882	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	433.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01861	0.3
57.03439	0.3
61.02921	0.2
69.03429	1.8
70.00951	0.9
71.04983	0.3
73.02918	0.4
81.03417	2.5
85.02904	5.1
86.09699	0.3
90.29701	0.2
97.02888	3.3
97.71770	0.2
99.03835	0.3
99.04449	4.0
103.03939	4.4
109.02879	2.6
111.29351	0.2
115.03969	0.2
118.51040	0.2
127.03916	100.0
128.04266	0.8
141.86783	0.2
145.04956	3.7
147.04390	0.2
149.11470	0.1
157.69601	0.2
163.05998	0.8
169.04988	0.4
179.12459	0.2
181.04927	0.3
184.96706	0.2
187.06013	0.8
241.95879	0.2
271.08179	0.7
307.10101	0.2
428.70190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1473
Annotation	Captopril disulfide
Peak:m/z	Relative Intensity
50.56284	0.7
55.05523	0.8
56.05032	1.0
59.06113	1.0
61.53128	0.8
69.03431	3.1
69.93040	4.1
70.06599	1.4
71.04996	1.2
72.08166	3.4
74.06077	5.7
81.03428	3.4
83.04994	1.0
84.04515	3.9
85.02895	6.4
86.09690	6.5
97.02870	3.9
98.97614	0.9
98.98475	1.1
99.04443	3.8
102.05540	2.9
103.03944	4.3
109.02892	3.6
121.10164	0.7
123.88528	0.7
127.03916	100.0
128.04317	0.8
137.05922	0.8
145.04997	3.4
147.04420	1.1
152.25652	0.8
163.03911	0.7
164.84314	0.7
173.09340	1.2
175.03621	5.0
187.06010	1.1
191.10211	4.1
197.12975	1.4
215.13902	3.2
230.11314	0.7
243.13264	1.0
271.08109	0.9
277.35455	0.9
326.17105	1.4
368.49719	0.9
397.20850	1.7
433.14670	96.5
434.15109	3.4
458.49841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1478
Annotation	17245-30-6
Peak:m/z	Relative Intensity
53.03934	2.8
53.34402	1.7
55.01865	2.9
55.05499	5.0
56.96562	9.7
57.03440	3.6
58.72716	1.8
65.03943	3.0
67.05499	4.5
67.31845	1.6
69.03408	7.8
69.07056	4.6
70.06570	2.7
71.04992	3.4
72.08144	2.9
74.06093	2.1
79.05483	7.5
81.03431	2.5
81.07044	8.1
83.04951	3.8
83.08589	2.4
83.27644	1.8
84.96024	3.9
85.02913	15.4
85.06531	4.0
86.09696	5.8
87.00809	2.2
87.04454	2.2
91.05462	4.6
92.95132	1.8
93.07012	4.5
95.04971	6.0
95.08614	3.7
97.02877	8.5
97.06500	6.0
98.97595	20.9
99.04453	3.2
105.07002	6.8
107.04940	7.8
107.08584	4.3
109.02867	2.8
109.06475	3.0
109.10155	2.8
110.97592	5.4
111.08102	2.8
115.03889	2.5
116.97969	1.6
116.98640	14.7
117.07008	2.4
119.08547	3.5
121.02869	6.8
121.10121	4.4
123.04427	4.1
123.08079	2.0
123.11707	1.9
125.09613	3.2
126.04969	1.9
127.03886	6.6
128.98586	6.7
133.10150	9.0
134.63274	2.0
134.99623	8.6
135.11624	2.3
137.05969	5.1
143.00166	2.8
145.04924	2.5
146.99657	9.7
147.04391	2.8
147.11646	3.1
149.01297	1.9
149.09584	4.1
151.11200	3.4
158.99640	8.0
161.01198	5.0
161.06000	5.6
163.03981	2.6
165.01833	5.1
167.07068	12.5
167.08351	2.5
167.10654	4.3
170.99666	5.3
171.06548	3.2
177.00745	8.9
177.05461	2.7
181.04962	32.2
183.02910	2.0
183.06502	4.3
185.11757	2.6
185.15349	2.0
189.00717	3.2
189.09035	2.4
199.06412	2.8
201.00656	2.6
207.06404	2.1
215.07103	3.5
217.07368	3.3
219.01717	11.8
221.08058	7.5
233.08179	3.4
235.17053	2.4
237.02800	23.6
241.08858	2.3
249.07544	2.8
249.14835	2.1
259.09595	4.3
267.06543	4.0
281.08115	4.1
283.06039	44.8
284.06583	5.9
295.05984	4.4
301.09595	18.7
305.08240	2.6
309.04169	2.8
309.07483	8.5
313.07043	27.6
319.10620	28.4
323.09100	7.9
337.07010	15.2
342.11981	4.6
349.07202	4.6
361.07159	2.9
364.46216	2.0
367.08206	10.9
379.07956	7.6
387.14117	2.2
391.08075	7.7
397.08755	9.2
403.13907	19.2
415.10010	6.5
433.14343	100.0
434.14545	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04707	1.8
59.05004	31.0
63.27969	1.5
69.07064	2.6
69.73310	10.3
71.04939	1.6
73.92657	1.5
81.07077	1.8
87.98846	1.4
88.17375	1.7
91.05489	6.8
93.07065	1.9
95.08621	2.1
96.62233	1.5
105.06492	1.6
105.07063	17.9
109.10175	1.7
111.04432	4.6
117.07018	2.2
119.08574	4.8
131.08582	12.4
135.08078	4.6
141.07071	2.3
143.08568	6.7
145.10097	8.6
155.08553	16.7
156.09358	3.0
157.10162	15.8
159.11722	21.5
169.10136	5.4
171.11685	12.8
173.13252	4.7
181.10152	7.2
182.11000	1.6
183.11700	4.4
185.13232	4.8
195.11641	8.5
196.12680	1.8
196.66936	1.7
197.09570	2.2
197.13289	3.3
209.13306	4.1
211.11217	1.6
211.14824	16.4
213.16351	17.4
221.13280	2.9
223.11336	2.0
223.14766	2.1
227.17979	7.4
235.14825	3.8
237.16393	16.3
239.14296	3.2
253.15829	2.6
253.50890	1.6
255.17419	30.5
257.15381	8.4
261.16388	4.5
273.18512	6.9
279.17520	9.7
297.18475	14.7
315.19562	100.0
316.20068	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
53.03924	1.1
55.01873	1.4
55.05502	1.3
57.03434	1.9
60.17995	0.7
65.03938	1.8
67.01871	1.0
67.05494	2.1
68.99823	1.0
69.03415	3.4
70.06595	1.1
70.19767	1.7
70.20158	1.8
71.04982	3.6
72.08146	0.9
74.06055	0.8
79.01839	1.3
79.05475	3.3
81.03400	2.9
81.07053	2.1
83.04974	1.0
85.02907	6.1
85.38682	0.8
86.09711	1.8
91.05503	4.8
93.07014	1.8
95.04955	2.4
95.08607	1.6
97.02896	3.8
97.06519	3.1
98.21555	1.1
100.30653	0.9
103.03943	1.2
105.07040	6.0
107.04943	3.0
107.08591	2.0
109.02855	1.7
109.06493	1.1
111.04430	1.2
115.03921	1.3
115.05450	1.3
119.04942	3.8
119.08581	2.6
120.08067	1.0
121.02870	17.1
121.06424	1.0
121.10142	1.1
125.05997	1.7
125.09654	0.8
127.03902	3.6
133.04942	1.8
133.06471	1.0
133.10080	1.3
137.05983	1.1
139.03874	0.9
141.01816	1.0
145.02855	3.4
145.04982	1.4
145.06433	1.8
147.07977	1.9
147.11678	1.2
153.01813	1.1
161.05978	3.2
163.03899	4.8
163.07492	0.8
165.01794	7.8
165.09090	2.9
167.03358	2.2
167.07045	4.9
167.10663	1.1
173.05823	1.0
177.05565	1.0
179.03444	0.9
181.04944	11.5
183.02939	5.2
185.11768	1.6
187.03908	1.8
189.09070	2.4
195.02921	1.6
195.08086	1.1
205.05005	1.7
207.06587	1.0
213.05492	2.2
213.09094	1.0
215.03375	0.9
215.07024	1.4
217.04939	3.3
217.15950	0.9
221.08151	1.9
229.04999	1.6
233.04457	1.5
233.08061	1.6
239.06796	1.0
243.02995	0.8
243.06400	1.1
249.07536	1.6
251.45515	0.9
255.06602	3.8
256.07339	3.9
259.06161	1.9
259.09671	2.7
261.03882	2.2
267.06479	7.0
270.05197	3.4
271.06052	5.1
281.05273	0.8
281.08081	5.8
283.06024	100.0
284.06763	30.4
285.07349	1.4
295.06046	16.2
295.09390	1.6
297.04266	1.7
297.07565	13.8
298.04565	1.1
305.08109	2.0
307.05856	1.3
308.06845	2.0
309.04156	1.7
309.07526	18.5
311.05505	1.6
313.07053	97.6
314.07483	1.3
321.07559	2.7
323.05685	1.8
323.09109	23.2
325.07208	4.1
333.07611	3.3
337.07074	38.4
343.08136	4.1
349.07059	9.4
351.08655	4.9
361.07083	6.5
367.08130	25.4
379.08124	22.0
387.14429	1.8
397.09204	29.6
403.13745	4.5
415.10165	32.6
433.11188	58.6
433.20953	1.8
434.11368	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	32.9
67.05517	2.6
69.07063	2.5
70.94814	4.7
81.07084	2.4
81.34998	2.1
91.05476	8.8
104.55468	1.8
105.07034	23.5
107.08533	2.1
109.10149	2.5
111.04446	6.7
117.07036	2.8
119.08572	5.4
131.08583	16.4
135.08070	5.7
141.06999	4.0
142.07834	1.8
143.08626	8.8
144.09329	2.1
145.10155	7.6
155.08545	19.7
156.09297	2.7
157.10126	20.3
159.11713	23.2
161.13255	1.9
167.08574	2.4
169.10143	6.2
171.11649	15.7
173.13248	4.0
179.08530	2.8
181.10136	8.1
182.10919	2.1
183.11684	6.8
185.13255	5.3
194.10757	2.4
195.11685	8.5
197.09676	3.2
197.13313	4.4
207.11717	3.0
209.13272	6.0
211.11172	2.6
211.14824	22.9
213.16376	24.6
221.13141	3.3
227.17947	7.1
235.14798	5.9
237.16438	18.6
239.14304	3.9
253.15852	3.3
255.17458	33.4
257.15417	7.1
273.18542	4.4
279.17435	12.1
297.18542	14.2
315.19550	100.0
422.42453	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.05514	13.8
67.05491	5.6
69.03420	3.4
69.07046	5.1
79.05466	7.8
80.02425	1.7
81.07067	9.8
81.07481	1.8
83.04967	17.1
83.08633	1.8
84.05302	2.2
91.05475	8.3
93.07033	9.6
95.04976	4.3
95.08613	8.4
97.02913	2.4
97.06511	4.6
101.06013	2.9
103.24052	1.5
105.07033	14.3
107.04952	2.9
107.08591	16.3
109.06529	5.3
109.10143	6.9
111.04421	5.3
111.08089	5.8
117.07048	4.2
119.06142	1.6
119.08581	22.1
120.08843	1.5
121.06485	5.3
121.10158	9.1
123.08057	8.8
129.06979	2.8
131.08527	4.9
133.10147	12.1
135.08057	45.9
135.11633	2.1
137.09581	6.0
137.13216	2.8
142.07764	2.5
143.08553	4.0
143.67067	1.8
145.10110	7.5
147.07991	2.6
147.11671	5.6
149.09604	5.5
156.09332	2.8
157.10117	6.7
159.11691	6.4
161.09566	3.8
161.13332	2.1
163.03958	2.0
163.11130	2.2
170.10878	1.8
171.11674	6.1
173.09650	2.6
173.13272	4.2
175.11166	6.0
175.14827	4.2
177.12830	3.3
183.11589	1.8
185.13255	4.5
187.11092	2.3
187.14815	2.3
189.09143	2.2
189.12778	4.1
195.11699	3.8
197.13283	3.8
199.11087	2.4
199.14743	2.4
201.12830	2.5
203.10565	2.3
203.14264	9.3
209.13232	3.5
213.12781	3.0
213.16377	2.2
217.15840	2.3
227.17963	2.6
253.19464	1.9
255.17461	5.8
269.18906	5.0
288.59552	2.2
297.18561	14.9
315.19562	100.0
316.19788	2.9
403.38486	1.8
415.24722	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	432.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57232	1.4
53.03932	2.3
55.05515	2.4
57.03422	3.2
65.03933	2.6
67.11511	1.4
69.03431	14.9
69.07056	2.2
70.06587	4.5
71.04984	2.6
71.58505	2.6
71.58888	1.6
72.08150	8.8
73.08504	1.7
79.05507	2.5
81.03419	3.3
81.07059	3.3
81.49806	1.5
83.04983	2.0
84.04523	1.9
84.08161	1.6
85.02906	16.5
85.06556	7.2
86.09702	10.7
87.04465	9.1
87.10021	2.3
88.00399	1.4
91.05479	31.9
92.05800	2.8
93.07046	2.7
93.19752	1.4
95.04964	2.3
97.02880	15.2
97.06528	1.9
104.94425	1.4
105.07018	3.7
107.04954	2.5
107.08604	3.0
109.02841	1.9
109.06544	1.9
111.04423	2.1
115.03938	14.2
119.04949	21.4
119.08569	2.9
121.06496	2.8
121.10133	2.7
127.03918	12.1
131.08572	5.7
133.04967	14.0
135.11702	1.7
137.06013	2.3
145.04933	3.2
145.10091	3.1
147.04407	100.0
147.08133	2.9
148.04745	3.1
149.09586	3.9
162.07574	2.6
162.75702	1.4
163.11169	4.1
165.09087	1.7
167.10641	3.3
173.09526	1.7
175.07484	1.7
191.10632	7.6
193.08638	5.5
209.11777	7.9
223.09644	1.9
227.12801	22.8
231.06631	1.6
235.09456	1.6
239.25415	1.6
252.16014	3.0
253.10683	2.9
270.13354	5.1
270.16983	10.8
283.08643	1.9
299.25751	1.5
323.07443	2.5
330.04355	2.2
352.21643	1.6
372.84543	1.4
403.52280	1.8
427.12820	8.8
428.13336	2.9
432.12280	2.3
432.22409	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	432.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57232	1.4
53.03932	2.3
55.05515	2.4
57.03422	3.2
65.03933	2.6
67.11511	1.4
69.03431	14.9
69.07056	2.2
70.06587	4.5
71.04984	2.6
71.58505	2.6
71.58888	1.6
72.08150	8.8
73.08504	1.7
79.05507	2.5
81.03419	3.3
81.07059	3.3
81.49806	1.5
83.04983	2.0
84.04523	1.9
84.08161	1.6
85.02906	16.5
85.06556	7.2
86.09702	10.7
87.04465	9.1
87.10021	2.3
88.00399	1.4
91.05479	31.9
92.05800	2.8
93.07046	2.7
93.19752	1.4
95.04964	2.3
97.02880	15.2
97.06528	1.9
104.94425	1.4
105.07018	3.7
107.04954	2.5
107.08604	3.0
109.02841	1.9
109.06544	1.9
111.04423	2.1
115.03938	14.2
119.04949	21.4
119.08569	2.9
121.06496	2.8
121.10133	2.7
127.03918	12.1
131.08572	5.7
133.04967	14.0
135.11702	1.7
137.06013	2.3
145.04933	3.2
145.10091	3.1
147.04407	100.0
147.08133	2.9
148.04745	3.1
149.09586	3.9
162.07574	2.6
162.75702	1.4
163.11169	4.1
165.09087	1.7
167.10641	3.3
173.09526	1.7
175.07484	1.7
191.10632	7.6
193.08638	5.5
209.11777	7.9
223.09644	1.9
227.12801	22.8
231.06631	1.6
235.09456	1.6
239.25415	1.6
252.16014	3.0
253.10683	2.9
270.13354	5.1
270.16983	10.8
283.08643	1.9
299.25751	1.5
323.07443	2.5
330.04355	2.2
352.21643	1.6
372.84543	1.4
403.52280	1.8
427.12820	8.8
428.13336	2.9
432.12280	2.3
432.22409	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	432.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15846	0.5
53.03943	1.3
56.96581	0.8
57.03429	1.5
59.07379	0.7
60.08163	3.9
61.02927	0.7
69.03432	5.3
70.77763	0.6
70.78117	1.2
71.04982	1.4
72.08155	0.9
72.52685	0.4
73.02885	0.9
73.06533	0.5
81.03421	3.2
81.49721	0.5
83.05004	0.5
84.04506	0.9
85.02426	0.8
85.02912	11.7
86.09722	1.1
91.05440	0.5
97.02902	6.2
99.04456	2.6
102.09188	3.1
103.03957	5.2
109.02884	2.7
115.03922	1.0
126.03115	1.3
127.03922	100.0
128.04242	0.7
129.05569	0.4
133.05081	0.5
135.04530	0.5
136.07700	0.4
141.05463	2.3
145.04967	1.6
147.04411	2.2
162.11270	5.1
169.04947	2.0
177.05499	0.8
237.02841	0.6
253.07095	1.6
271.08237	1.6
306.15512	3.7
432.18677	77.7
433.18738	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93440	4.9
53.03944	6.9
55.01862	5.3
55.05493	11.8
55.83212	4.7
56.05032	5.1
57.03431	9.5
60.04535	5.4
60.20264	4.4
61.02911	4.3
67.05507	11.3
69.03440	28.7
69.07056	15.6
70.06601	28.5
71.04971	15.1
71.59068	9.8
72.08153	39.5
73.02921	12.5
74.06075	5.3
79.05480	13.5
81.03431	27.1
81.07057	19.2
83.05017	9.7
84.04526	11.3
84.08147	8.5
84.45300	4.6
85.02901	58.2
85.06542	12.4
86.09699	45.4
87.00813	8.9
87.04473	6.1
88.03983	6.7
91.05466	30.6
93.07050	24.3
95.04970	11.9
95.08600	13.0
97.02901	32.2
97.06544	4.9
98.97561	9.5
99.04444	13.3
105.01829	10.0
105.07026	14.6
107.04954	10.5
107.08566	23.3
109.02879	22.5
109.06508	14.2
109.10151	15.1
110.07167	5.3
111.08036	5.8
115.03822	6.8
116.98574	10.1
117.06998	8.3
119.08508	6.4
121.06503	11.7
121.10148	12.7
123.11674	5.0
127.03907	95.8
128.02370	5.7
129.10254	8.4
131.08574	50.2
133.06467	6.0
133.10081	10.0
135.11652	9.9
137.05989	8.5
137.09563	6.8
139.11168	6.0
144.70456	4.7
145.02914	7.6
145.04953	14.9
145.06265	5.1
145.10091	12.6
147.08031	9.7
149.05974	4.5
149.09645	40.2
149.80800	4.6
153.12746	8.2
159.02957	7.0
161.05994	5.5
163.03914	21.7
163.11217	8.4
164.04268	10.2
167.06990	8.6
167.10654	31.3
177.00703	8.7
181.05008	10.0
185.11705	11.4
191.07072	6.5
191.10643	18.1
193.08661	8.6
209.08157	15.0
209.11728	100.0
221.05006	6.6
223.06274	10.8
227.12793	25.9
252.16058	25.2
270.13300	15.6
270.16998	20.5
283.08475	16.3
370.55701	6.2
373.16821	9.1
403.13806	5.4
427.12759	18.3
428.12955	8.4
432.13306	10.3
432.18912	12.5
432.23090	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	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
57.03444	1.2
60.08166	3.6
62.37987	0.5
69.03437	5.3
69.39424	0.6
70.06587	0.6
71.04990	1.4
71.58575	1.0
72.08149	3.8
73.02917	0.9
74.27940	0.5
76.04005	0.7
81.03428	2.9
84.04536	0.7
84.08134	0.8
85.02912	12.2
86.09693	1.7
95.22195	0.6
97.02898	6.3
99.04432	1.9
102.09193	3.3
103.03938	5.4
109.02887	2.1
120.08095	1.1
126.03177	1.4
127.03922	100.0
128.04285	1.7
130.05037	0.8
139.03886	0.8
141.05478	2.0
144.06641	0.6
145.05025	1.4
147.04427	1.9
153.12720	0.7
162.11282	5.3
169.04976	1.4
172.95251	2.4
182.39719	0.7
190.96284	1.0
192.35780	0.6
201.00836	0.7
209.08818	0.6
253.07166	1.5
255.03156	0.6
271.08194	2.7
306.15445	3.6
307.06195	0.8
325.07205	2.5
363.73209	0.7
432.18686	69.6
433.09412	1.1
433.19089	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	432.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69943	2.1
53.03937	5.2
57.03454	2.9
61.02918	2.9
62.81463	2.2
69.03432	21.6
69.66993	5.9
69.67407	12.6
71.04971	3.5
73.02916	3.7
81.03429	17.7
85.02908	82.6
86.09705	4.3
87.00826	13.2
91.05481	51.1
97.02879	29.9
99.04459	36.7
103.03938	73.6
105.01867	20.7
107.08614	3.0
109.02867	21.6
115.03949	2.6
127.03916	100.0
129.06999	2.7
131.08543	6.5
144.60175	2.6
145.04961	64.0
149.09575	2.4
163.06035	59.6
187.06056	5.5
205.07140	5.6
226.83211	2.6
231.04994	7.5
253.10522	3.1
271.08102	7.6
289.09155	4.6
307.10202	10.1
344.92535	2.8
379.13965	4.7
449.79187	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.9
53.03943	5.1
55.01864	5.3
57.03434	6.5
61.02918	5.3
64.69393	1.0
67.05520	1.1
68.99788	2.9
69.03429	33.9
70.06578	1.9
71.04987	4.7
71.56832	0.7
71.57203	1.1
72.08157	1.0
72.84695	0.8
73.02919	5.1
81.03416	26.2
81.07032	1.5
83.04994	1.0
85.02903	100.0
85.53347	0.7
86.03188	0.9
86.09718	2.6
87.00826	44.4
87.10019	0.9
91.03943	1.4
91.05479	17.3
93.07021	1.1
95.08553	0.8
97.02892	27.8
98.97577	1.9
99.04450	11.1
101.02370	1.0
105.01862	71.7
105.07028	3.2
107.04931	1.3
107.08562	1.5
109.02874	26.2
109.06538	1.0
109.10159	1.1
111.04430	2.3
116.98641	1.5
117.01847	2.1
119.08533	1.2
121.10081	1.7
123.02961	0.9
127.03912	68.1
128.04231	1.4
129.01845	2.9
129.07005	1.7
129.17953	0.9
131.08562	17.0
143.08557	1.9
145.04950	24.3
145.10136	2.4
147.02925	2.2
147.04488	1.2
149.09619	10.4
151.32681	0.8
155.08505	0.9
157.10138	1.3
158.99669	1.1
159.02866	8.2
163.03960	1.2
167.10786	1.0
177.09180	0.9
189.03944	5.5
191.10678	1.1
197.25270	0.7
213.03951	5.2
231.05011	23.4
231.07234	1.8
233.11661	1.3
234.99135	0.8
235.16975	0.9
239.10732	1.0
249.06007	8.3
257.11740	8.2
275.12744	1.5
287.05603	2.5
343.11789	1.1
347.07816	1.0
361.12741	4.7
379.14011	4.4
390.15027	1.9
391.92685	0.8
397.14844	1.0
432.16116	1.3
432.27515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.9
55.01870	8.3
57.03425	6.2
58.75155	1.8
61.02913	8.0
67.05511	2.2
68.99773	3.3
69.03425	32.0
69.03773	3.4
69.54797	9.1
69.55225	7.7
71.04995	4.8
73.02917	8.4
79.05513	3.9
81.03414	26.5
81.07056	2.3
85.02904	100.0
87.00828	42.7
93.07021	3.5
95.08583	2.7
97.02890	68.2
97.03518	4.0
99.04457	16.9
105.01178	4.7
105.01862	72.3
105.07053	4.2
108.04495	4.4
109.02876	41.6
115.03942	2.5
117.01852	5.1
118.08660	6.5
121.10150	3.6
127.02962	4.7
127.03914	92.0
129.01860	5.3
131.08557	4.0
145.04965	45.6
147.02965	3.2
149.09628	12.6
159.02888	22.8
167.10678	13.5
189.03905	2.9
213.03941	7.7
231.04973	21.1
249.06062	11.8
355.74115	2.1
397.14471	5.6
427.62543	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2432
Annotation	Rouyolide B
Peak:m/z	Relative Intensity
53.03945	1.7
55.05514	43.1
55.88018	1.0
56.05852	1.2
57.02288	1.1
59.79570	1.0
67.05499	2.2
69.07051	1.4
70.15562	3.6
70.15981	2.5
81.07048	2.3
83.04984	100.0
91.05483	2.8
93.07030	2.3
95.04945	1.2
95.08611	3.1
100.63934	1.3
101.05991	1.8
105.07010	4.3
107.08583	7.2
109.10171	1.3
116.98648	1.3
119.08591	3.3
121.10136	1.3
125.09631	2.0
126.11115	1.3
131.04874	1.4
131.08543	1.5
133.10146	2.9
135.08109	2.8
138.05458	1.4
147.08040	1.6
161.09671	1.7
163.07471	1.3
179.10732	2.0
223.09673	1.5
325.99304	1.2
331.18994	2.6
401.96570	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
56.96555	0.2
57.03440	0.2
65.03937	0.7
69.03436	0.2
69.92621	0.4
69.93027	0.6
70.06593	0.5
70.07024	0.2
71.04987	0.3
72.08150	0.6
81.03405	0.2
81.07027	0.2
84.04491	0.3
84.08122	0.3
85.02908	0.8
85.06509	0.3
86.09714	1.6
87.10037	0.5
89.06022	0.2
91.05485	7.2
93.07060	0.2
95.01319	0.3
97.02895	0.4
102.05511	0.2
105.07029	0.4
107.08614	0.3
109.02837	0.2
113.02354	0.2
116.07101	0.4
119.04947	19.3
120.05271	0.3
127.03908	0.7
131.04912	0.3
131.08585	0.3
135.11742	0.2
137.05934	0.2
141.01859	0.3
145.02803	0.3
147.04413	100.0
148.04744	1.9
161.06027	0.4
162.68251	0.2
177.05484	0.5
179.07060	0.3
191.10651	0.2
227.12938	0.3
230.12277	0.2
235.09821	0.2
239.09169	1.5
253.10680	0.4
305.06467	0.2
323.07587	2.5
372.14157	0.2
397.11343	0.3
406.64444	0.2
427.12912	0.3
432.18744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.1
65.03915	1.6
67.05513	8.9
67.17558	1.1
68.05196	1.1
69.03436	7.9
69.07076	7.4
70.84187	1.1
71.04996	1.5
71.14178	1.1
71.58758	1.9
79.05498	10.9
81.03407	1.8
81.07054	11.1
83.04974	7.9
83.08603	2.9
85.02888	2.8
91.05485	12.9
93.07048	10.9
95.04964	4.2
95.08615	11.7
97.02892	5.9
97.06545	10.5
99.04460	3.4
105.07042	17.8
107.04946	3.7
107.08600	22.6
109.06528	8.2
109.10161	8.6
111.04440	5.2
111.08082	5.3
115.05432	2.3
117.07020	4.6
119.08591	21.6
121.06476	7.7
121.10161	13.3
123.08080	13.3
123.11718	2.6
125.05975	2.9
127.03878	1.3
128.06198	1.4
129.07028	1.9
131.08553	9.1
133.06465	2.6
133.10138	15.1
135.08058	65.1
135.11676	4.9
136.01196	1.2
137.05943	2.3
137.09612	13.7
142.07759	2.8
142.56610	1.2
143.08554	4.7
144.09233	1.7
145.10159	9.9
147.08049	4.0
147.11713	7.1
149.09642	9.8
149.13289	2.1
151.07568	1.7
153.01814	2.6
155.08537	2.8
156.09341	2.3
157.10149	11.9
159.08087	3.9
159.11720	9.3
161.09656	8.3
161.13243	5.7
163.11194	4.4
165.09102	2.6
167.07126	2.9
167.08679	1.4
169.10100	3.0
170.10951	2.4
171.11652	9.1
172.51172	1.4
173.09656	4.5
173.13303	6.7
175.11243	9.3
175.14825	4.8
177.12750	4.3
183.11653	2.7
185.09657	4.9
185.13225	7.7
187.11237	6.8
187.14833	1.8
189.09122	1.9
189.12726	4.4
193.12303	2.5
195.11687	3.6
197.13217	3.7
199.11189	4.2
199.14810	5.0
201.12730	3.1
203.10713	2.7
203.14340	12.8
205.12260	1.6
207.13756	1.8
209.13255	2.9
211.14946	1.7
213.12813	6.0
213.16382	3.9
217.12363	1.8
217.15875	3.4
219.09862	1.4
227.10771	1.7
227.17941	4.2
229.12297	1.6
231.13785	1.9
237.12732	2.2
237.16402	4.1
241.12254	2.2
241.19675	1.5
243.13766	1.5
251.18016	4.3
255.17386	6.7
269.19037	7.3
271.16928	1.9
273.18439	3.1
279.17416	4.4
285.18622	1.6
287.19986	3.5
297.18512	23.4
298.18649	1.8
303.05072	1.9
315.19568	100.0
316.19794	4.9
354.17422	1.3
367.77573	1.3
413.23157	2.9
431.24319	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01875	4.3
55.05510	16.5
57.03430	3.6
65.03933	3.5
67.05501	20.1
69.03423	11.4
69.07059	14.3
69.95796	9.8
79.05488	16.8
81.07051	22.6
83.04983	12.2
83.08608	4.0
85.02894	4.1
91.05472	22.6
93.07047	27.6
95.04975	11.0
95.08608	21.5
97.02886	7.4
97.06507	13.4
97.10150	2.3
98.98459	10.5
105.07017	31.7
107.04950	5.6
107.08591	37.4
109.06515	14.1
109.10158	17.4
111.04446	9.0
111.08072	5.5
115.05472	6.6
117.07011	6.0
119.08571	34.4
121.06495	14.6
121.10155	22.1
123.08076	19.9
123.11702	5.4
125.05978	2.5
127.07542	2.1
129.06998	4.3
131.08539	13.2
133.06506	4.7
133.10135	24.6
135.04449	5.0
135.08052	100.0
135.11659	9.7
137.06017	3.4
137.09612	20.7
139.07509	2.5
139.40109	1.9
142.07773	4.3
143.08591	10.5
145.10098	15.3
147.08012	7.5
147.11671	19.7
149.09641	17.3
149.13271	5.6
151.07535	8.5
151.11069	2.3
155.08594	4.5
156.09338	4.3
157.10135	13.2
159.08066	5.3
159.11665	17.5
161.09616	11.7
161.13258	13.3
163.03905	22.0
163.11166	8.2
165.09120	2.9
169.10063	3.7
170.10884	4.3
171.11699	16.9
172.08835	2.0
173.02200	3.3
173.09657	6.6
173.13321	9.6
174.10426	3.7
175.11200	11.8
175.14825	7.2
177.12741	5.7
181.10112	3.6
183.11693	5.7
185.09598	5.7
185.13269	11.8
186.10411	6.2
187.11099	9.6
187.14804	5.4
189.09225	2.8
189.12769	4.8
191.10722	2.9
195.11736	5.1
197.13220	3.2
199.11206	6.4
199.14832	6.0
201.12772	12.7
203.10783	5.7
203.14333	16.8
205.12231	3.5
209.13335	3.0
211.14827	5.3
213.12735	5.9
217.15927	3.3
223.11345	2.5
223.15007	2.7
225.12650	2.7
227.10693	3.6
227.14293	2.4
227.17903	3.3
229.12274	6.8
231.13670	4.6
237.16231	3.6
241.12364	3.4
241.19548	8.2
251.17969	6.0
253.15826	2.4
253.19495	2.2
255.13698	3.3
255.17540	7.1
257.18939	4.0
259.20511	12.3
269.18967	10.4
273.18442	5.2
279.17410	5.7
287.20010	4.3
297.18503	26.3
299.19962	4.3
315.19537	84.3
316.20026	3.3
333.20639	3.5
333.24048	10.6
403.24802	12.4
413.23398	3.2
431.20551	7.9
431.25290	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	431.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54052	2.9
55.05498	12.3
57.07096	3.1
62.87569	2.6
66.37476	2.9
67.05505	25.6
69.03426	32.7
69.07051	11.0
69.40970	21.7
69.41390	6.3
73.80853	2.8
79.05481	10.2
81.07053	19.9
83.04980	13.2
83.08621	4.7
85.02877	4.6
87.04399	4.3
91.05486	13.8
93.07041	15.0
95.04971	20.0
95.08622	29.0
97.02895	38.9
97.06518	8.8
98.20749	6.0
98.98457	7.4
105.07015	19.9
107.08607	25.8
109.06509	5.3
109.10153	80.2
110.10529	2.9
117.06998	5.5
119.08567	33.6
120.90841	2.9
121.06511	6.5
121.10146	21.3
123.08053	10.0
123.11687	4.6
130.07744	3.5
131.08551	10.5
133.06502	4.6
133.10153	24.0
135.08055	41.6
135.11725	11.5
143.08591	7.2
145.06456	3.9
145.10135	15.2
147.08055	7.7
147.11705	13.5
149.09634	8.6
149.13213	3.2
155.08548	3.6
157.10136	11.1
159.08122	4.9
159.11711	23.3
161.09636	14.3
161.13239	16.3
163.11174	5.7
169.10123	10.0
170.10835	3.7
171.11716	12.0
172.08876	4.5
173.09619	12.4
173.13263	16.0
175.07574	4.3
175.11238	9.7
175.14853	7.8
177.12772	3.4
182.10872	4.0
183.11687	13.7
185.13257	11.4
186.10399	4.8
187.11192	11.6
187.14842	10.0
189.12729	8.4
191.10736	4.0
195.11743	4.4
197.13235	13.5
199.14799	3.6
201.12743	10.0
201.16374	3.4
203.10724	3.3
203.14334	25.2
211.14845	6.1
213.16417	3.1
215.10805	3.5
215.14294	6.9
224.15584	4.3
229.12238	7.4
229.19519	7.4
237.16377	4.8
239.17996	17.8
253.19489	6.1
257.19025	29.0
259.20480	4.6
271.20660	14.3
281.19067	3.8
299.20090	40.9
333.24225	6.4
371.22031	23.6
385.23782	32.3
410.20209	7.9
410.70450	5.9
411.20605	4.9
413.23212	100.0
414.23279	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	431.2429
Annotation	Angeloylespinosanolide
Peak:m/z	Relative Intensity
55.05504	6.9
67.05499	3.3
69.03415	1.9
69.07063	4.0
70.10245	4.5
79.05489	5.5
81.07059	8.9
83.04977	12.1
83.08640	1.1
85.06539	1.3
91.05473	10.4
93.07029	6.1
95.04983	1.8
95.08611	3.9
97.02913	1.3
97.06522	3.3
98.21447	1.3
99.90228	1.2
105.07027	8.2
107.08598	15.1
109.06519	6.2
109.10146	2.0
111.04416	3.1
111.08131	1.1
115.05473	2.7
117.07012	5.9
119.08594	10.0
121.06512	5.6
121.10139	4.2
123.08089	3.6
129.07050	1.7
131.08578	5.5
133.06500	3.5
133.10124	4.6
135.08054	100.0
135.11615	2.4
136.08412	1.9
137.05986	2.7
137.09607	3.0
141.06958	2.0
142.07817	1.5
143.08591	2.7
145.10117	5.0
147.08109	3.5
147.11681	3.0
149.09546	1.7
155.08548	3.3
156.09311	3.0
157.10109	4.2
159.08032	3.7
159.11665	4.5
160.08913	1.2
161.09644	8.0
161.13217	1.6
163.07549	1.7
163.11279	2.1
169.10117	3.5
170.10913	1.3
171.11655	3.4
173.09607	5.5
173.13197	5.4
175.07616	1.4
175.11221	7.3
177.09096	3.0
179.14145	1.4
183.08069	1.6
183.11693	4.7
185.09590	3.3
185.13316	2.8
187.11189	4.4
187.14848	1.3
189.12807	2.5
191.10666	2.0
195.11603	1.5
197.09619	4.6
197.13161	1.2
199.07594	1.1
199.11194	3.4
201.09151	2.1
203.10605	2.7
203.14320	3.5
207.11719	1.4
211.11183	5.0
211.14803	2.3
215.10750	6.2
217.12358	1.9
223.11195	1.5
223.14799	1.2
225.09137	1.5
225.12804	2.1
225.16336	2.7
229.08553	1.6
229.12163	1.5
232.40987	1.3
235.54677	1.1
243.10091	1.5
243.13885	1.8
243.17493	1.4
249.16373	1.9
253.12196	1.3
253.15878	7.9
254.16463	1.3
267.17493	13.8
271.16983	8.7
285.18466	5.7
295.16925	14.2
313.17963	18.7
331.19077	7.4
431.23895	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.5
57.03423	1.5
67.05499	6.2
69.03416	2.6
69.07070	3.6
70.72565	2.7
71.08614	2.3
79.05485	9.5
81.03386	1.0
81.07063	10.9
82.08997	0.9
83.04987	14.1
83.08593	1.3
91.05479	13.4
93.07054	11.5
95.04959	2.5
95.08614	6.5
97.06521	2.5
97.10162	1.7
98.98470	3.4
99.08080	2.0
103.05441	1.1
105.07034	11.6
106.09956	1.0
107.04962	2.1
107.08588	16.5
109.06493	5.5
109.10149	4.5
111.04427	1.3
111.08098	2.5
113.00036	1.2
115.05487	5.0
117.07020	10.0
119.08554	11.6
121.06499	5.3
121.10156	8.4
123.08074	5.3
123.11691	2.4
129.06989	2.6
131.08566	4.5
133.06505	3.4
133.10124	8.2
135.08054	100.0
135.11708	2.8
136.08397	1.9
137.05957	2.9
137.09622	3.3
141.07016	1.8
142.07784	2.3
143.08580	4.4
145.10133	5.8
147.08044	3.5
147.11655	4.9
147.93741	0.9
149.05965	1.5
149.09648	3.3
149.13266	1.3
151.07526	1.9
155.01021	1.4
155.08565	2.9
156.09262	1.7
157.10118	4.8
159.08084	4.6
159.09291	1.2
159.11717	6.9
161.09663	5.1
161.13290	4.5
163.07539	1.2
163.11174	2.9
165.09106	1.8
165.12836	1.5
167.08575	1.5
168.09344	1.2
169.10146	3.3
170.10977	1.2
171.11716	4.1
173.09589	5.7
173.13266	4.3
175.11186	6.7
175.14807	2.2
179.08537	1.0
179.14308	2.5
183.08063	1.5
183.11739	4.0
185.09648	2.8
185.13298	1.6
187.11168	6.2
187.14822	1.0
189.09113	1.7
189.12732	2.4
191.10719	1.2
193.10268	1.3
195.11778	1.6
196.12259	1.0
197.09679	2.1
197.13264	1.2
199.11221	3.2
199.14877	1.5
201.09131	2.9
201.12772	2.5
203.10713	3.2
203.14380	3.7
205.12299	1.2
207.11678	1.1
209.13225	1.2
211.11230	3.3
211.14853	1.2
213.22295	1.0
215.10747	6.0
215.14212	1.9
217.12198	1.3
223.14865	0.9
225.12674	2.5
225.16451	2.0
227.10768	1.5
227.14247	1.1
228.45094	1.0
229.12219	2.4
235.14931	1.7
237.12709	1.6
239.17943	1.6
241.12253	1.1
241.19363	1.8
243.10168	2.3
243.17416	1.8
249.16295	1.6
253.12254	2.1
253.15895	7.4
257.11862	2.0
259.20667	2.3
267.17419	11.6
271.14023	1.1
271.16937	7.4
277.15836	1.6
277.21750	1.7
285.18369	5.0
295.16943	15.3
313.17999	19.3
331.19150	6.2
333.24182	2.8
389.15884	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34589	2.0
53.03939	3.9
55.01896	2.5
55.05515	16.0
56.96547	2.7
57.07079	3.9
65.03934	5.4
67.05513	30.4
69.03426	18.9
69.07069	15.8
71.58318	2.0
71.58739	3.1
79.05501	22.4
81.03413	3.3
81.07057	23.9
83.04979	24.2
83.08605	3.8
85.02918	2.2
90.39191	2.3
91.05471	30.0
93.07047	31.2
95.04979	13.3
95.08607	30.3
97.02895	8.0
97.06538	18.6
98.03677	4.7
98.36580	2.5
98.98459	3.8
99.04436	4.6
101.05988	3.7
105.07034	43.6
107.04953	11.1
107.08604	47.3
108.27390	2.1
109.06532	20.2
109.10165	36.0
111.04435	15.2
111.08093	8.7
115.05469	4.0
116.64973	2.3
117.07041	14.1
119.04958	2.8
119.08582	51.4
121.06504	20.4
121.10140	28.6
123.08088	23.8
123.11707	6.6
125.06014	3.9
125.09644	2.8
128.06238	4.7
129.07053	6.7
130.07834	2.3
131.08568	17.6
133.06488	8.8
133.10126	33.3
135.08060	100.0
135.11705	12.2
137.06021	3.1
137.09630	18.8
137.13327	2.4
139.07579	5.5
141.07011	3.5
142.07794	5.2
143.08519	12.5
144.09370	3.3
145.06488	6.6
145.10138	25.9
147.08032	11.6
147.11703	14.1
149.06010	3.1
149.09631	14.9
149.13257	3.8
151.07558	7.9
151.11185	3.4
152.07539	3.5
153.07068	2.4
155.08545	5.4
156.09375	5.0
157.10143	24.2
159.08070	8.4
159.11670	27.4
161.09634	22.0
161.13261	10.2
163.03908	2.8
163.07503	3.4
163.11172	9.0
165.07024	3.5
165.09140	4.0
167.07063	2.6
169.10150	8.1
170.10867	5.8
171.08134	2.9
171.11693	22.1
172.08778	3.1
173.09650	10.8
173.13272	21.5
175.11195	19.0
175.14799	11.5
176.15244	2.2
177.09167	2.9
177.12788	6.2
179.10698	6.2
181.10199	3.4
182.10938	2.4
183.11705	14.3
185.09645	9.1
185.13316	16.0
187.11221	18.9
187.14832	7.7
189.09071	4.6
189.12730	7.3
191.10579	2.7
192.08818	3.1
195.11723	7.2
196.08844	2.8
196.12386	2.8
197.09576	2.7
197.13333	9.3
199.11192	7.6
199.14848	8.2
201.12779	10.8
203.10728	7.4
203.14320	22.6
205.10481	2.9
205.12164	10.8
207.11673	4.2
209.13313	9.9
211.11284	5.3
211.14871	7.1
213.09300	3.1
213.12856	12.2
213.16328	4.3
215.10648	4.1
215.14339	5.9
217.12340	4.7
217.15884	5.5
219.13863	2.4
223.11290	2.8
223.14900	3.4
225.16431	5.2
227.10870	3.2
227.14465	3.4
227.17906	7.5
229.12251	8.0
231.13773	3.6
234.09975	2.9
237.12790	2.7
237.16339	7.2
239.10751	2.3
239.18065	5.9
241.12291	5.3
241.19571	3.6
251.18019	5.7
253.15971	8.6
253.19504	4.0
255.13800	5.0
255.17424	12.4
257.19046	9.0
267.17520	5.0
269.19049	10.2
271.17120	10.7
271.20264	2.4
273.18539	6.7
279.17523	9.4
283.10458	2.4
285.18436	6.2
287.20038	8.9
295.16873	5.9
297.18497	35.3
299.20059	12.3
313.17987	11.7
315.19580	91.6
331.19055	10.3
333.24493	2.8
383.19864	2.4
387.87335	2.5
413.23190	6.9
431.24414	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	431.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01869	3.0
55.05508	13.7
57.03439	9.5
57.07080	1.6
65.03955	2.3
66.52608	1.3
67.05169	2.1
67.05505	26.6
67.06506	1.2
69.03425	2.9
69.07066	6.8
69.35800	13.2
71.04977	3.9
71.36672	1.2
75.04475	1.5
79.05501	24.6
81.07054	28.3
83.04971	11.2
83.08628	6.1
83.17172	1.1
83.54865	1.2
85.06532	3.0
91.05477	30.9
93.07040	31.0
95.04950	5.2
95.08605	24.5
97.02871	3.1
97.06518	4.5
97.10157	1.9
98.98465	74.7
99.08171	1.7
105.07033	34.9
107.01849	1.2
107.04960	1.8
107.08587	23.2
109.06522	2.9
109.10165	10.6
111.04451	1.2
115.05460	1.9
116.99501	2.8
117.07023	9.2
119.08578	40.4
121.02868	2.7
121.06483	2.0
121.10137	17.5
123.08067	2.3
123.11700	3.0
125.09575	1.5
127.69034	1.2
129.05440	3.0
129.07013	6.0
129.60916	1.3
131.08569	16.6
133.10133	28.9
135.04347	1.5
135.08055	6.8
135.11696	15.1
137.09642	2.3
137.13170	1.9
140.01074	1.5
140.60156	1.2
142.07709	1.6
143.08562	8.1
145.02902	1.4
145.10123	15.1
147.08064	1.4
147.11684	32.5
149.13252	9.3
151.07544	9.9
155.01057	1.4
157.10088	9.5
159.11674	15.6
161.09714	2.6
161.11182	1.6
161.13260	33.0
163.03934	6.9
163.11209	2.1
163.14812	5.6
169.10176	3.1
169.29997	1.3
171.11685	13.2
173.02078	19.9
173.13258	13.4
175.11221	1.7
175.14812	22.0
177.12715	3.2
183.11707	1.6
185.13190	8.7
185.30441	1.2
186.92189	1.4
187.14781	5.4
191.14322	1.4
193.08595	2.0
199.14911	6.3
201.16417	1.5
203.14265	3.1
213.16408	2.6
215.17963	4.4
217.19536	5.7
229.12250	1.4
231.21075	6.5
241.19504	47.3
242.19827	1.5
243.20935	3.1
257.18933	1.5
259.20575	71.1
275.19998	1.5
277.21637	2.9
299.20023	1.8
315.23062	3.2
333.24228	100.0
334.24500	3.1
335.44806	1.4
340.14413	1.5
379.87976	1.4
413.21109	3.0
431.21930	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05514	1.2
56.58034	0.8
67.05496	1.0
71.10950	1.7
73.02915	10.3
79.05491	1.3
80.97162	0.8
81.07056	1.5
83.04982	1.2
85.02889	1.0
91.05479	3.0
95.08580	0.9
99.04456	0.9
100.92370	0.7
105.07043	1.3
107.04948	6.5
107.08587	1.2
108.05734	2.6
109.06509	1.2
111.04427	1.0
113.83691	0.8
115.05489	1.8
117.07026	1.6
119.08598	1.1
124.12471	0.8
130.04100	0.9
131.08553	1.0
132.05737	1.0
133.06509	1.4
135.04462	2.2
136.05251	2.1
137.06009	2.3
145.06432	1.1
145.10139	0.9
146.03644	3.8
147.08049	1.4
151.07547	100.0
152.07880	2.6
160.05191	12.1
161.05995	9.8
163.07539	1.1
175.07567	37.8
176.07968	1.1
181.06569	1.0
188.28160	0.8
189.05475	20.8
195.08101	1.0
203.07008	12.5
209.06236	0.9
210.14928	1.1
221.06046	0.9
222.06801	1.0
223.07593	2.2
224.08261	2.6
225.09010	0.9
233.08057	10.1
235.07658	1.3
236.08276	1.1
239.06981	1.7
239.10619	1.9
249.09265	0.9
250.09787	1.0
251.07016	2.2
252.07756	2.3
253.08583	3.5
265.08578	1.5
267.06580	0.8
267.10172	3.6
268.11020	5.0
269.08078	6.6
277.08731	2.1
279.10110	1.2
283.09689	1.7
284.10431	21.3
295.09662	6.8
297.11163	1.2
299.09302	1.4
299.12756	19.1
300.13052	0.9
308.09988	1.0
309.10959	1.2
310.12021	11.3
311.12473	1.2
325.10715	4.1
329.10263	1.1
340.13058	9.7
341.13931	11.1
352.10297	0.9
353.13797	1.3
371.14890	58.1
372.15335	1.7
431.17090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23449	4.4
53.03941	5.3
55.05495	7.4
56.05025	10.8
57.03423	15.4
57.07067	8.5
58.06598	9.8
59.05009	6.2
61.02925	9.5
63.04486	13.0
67.05495	9.0
69.03430	60.1
69.50038	43.8
70.06596	16.5
71.04993	17.1
73.02914	14.0
79.05491	10.4
81.03413	12.0
81.07055	8.8
83.04982	9.7
84.04485	5.0
84.08156	13.1
85.02437	5.8
85.02911	69.6
86.09706	21.4
86.32598	4.6
86.80978	4.8
87.04460	21.3
89.66336	4.5
90.16689	4.6
91.05487	13.6
93.07047	18.3
95.04973	100.0
95.08633	11.1
96.08125	11.2
97.02899	69.6
97.06516	5.3
98.06033	5.0
98.09688	7.0
99.04459	25.9
105.07043	20.7
106.06547	41.5
107.08582	27.5
108.08121	14.2
109.02880	11.7
109.06499	13.0
109.10146	10.7
110.06033	9.4
110.09657	6.1
115.03959	36.1
119.08580	21.5
119.10699	45.9
121.06508	4.9
121.10139	28.8
122.09659	10.0
123.04443	4.9
123.08054	18.6
124.11202	7.6
127.03922	22.4
131.08595	22.9
133.04114	4.3
133.04982	32.6
133.06541	6.9
133.10149	22.9
134.09683	5.9
135.11688	7.2
136.03970	5.9
143.08614	5.1
145.04961	9.5
145.10085	11.8
147.04439	7.6
147.08017	6.7
147.11697	14.1
149.09627	27.6
149.13284	6.7
153.09065	10.7
163.11186	13.0
173.13242	11.3
174.12688	10.6
186.07611	10.8
186.85968	5.1
189.12848	8.4
190.15854	7.8
191.10759	5.7
191.14340	16.4
201.34535	4.4
204.08606	26.9
206.15433	6.7
207.13826	10.6
209.11716	6.6
221.06342	5.6
232.17059	26.1
250.14481	19.4
250.18034	53.9
268.16095	6.6
268.19077	46.2
412.23410	18.1
430.24704	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01872	2.0
55.05505	1.1
57.03432	1.0
59.05003	2.5
59.34604	1.0
63.78359	0.8
67.05496	4.0
67.25517	0.9
68.99797	1.4
69.07072	14.6
71.05003	1.1
71.60101	0.8
74.85641	0.8
79.05505	6.7
81.03392	1.0
81.07055	2.9
83.05012	1.2
85.02913	1.1
85.06536	1.9
87.04465	1.1
88.07370	0.9
91.05484	1.3
93.07047	1.2
95.04979	2.3
95.08611	2.6
97.02892	2.6
97.06535	42.0
105.07030	1.7
107.08626	1.9
109.10163	2.5
115.38316	0.8
117.07031	1.1
119.08578	2.1
121.02872	1.5
133.10104	1.6
135.11639	1.0
137.02350	5.5
137.60513	0.9
143.08565	1.2
153.01826	5.9
159.11714	1.4
161.13318	0.8
163.03868	0.9
165.01868	3.2
172.48759	0.9
173.06018	1.1
177.05580	1.2
183.02946	1.0
201.05524	1.8
228.04184	1.8
229.05016	6.3
245.04271	1.8
257.04407	3.9
273.03995	7.5
274.04745	3.2
275.05542	1.5
285.04016	2.5
301.03458	8.6
302.04202	30.1
303.05011	100.0
304.05301	1.9
315.04843	4.2
329.02850	3.7
381.09586	6.6
399.10855	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	430.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01849	4.8
55.05505	7.2
56.05035	7.0
57.03437	7.4
57.07057	3.0
58.06604	7.6
59.05001	3.5
61.02927	6.8
67.05492	9.3
69.03439	28.6
69.07056	5.9
70.06581	9.6
71.04984	12.6
71.38979	6.3
72.08163	4.6
73.02913	7.3
74.06080	7.4
75.56964	2.6
79.05479	9.0
81.03414	10.9
81.07063	16.6
83.04978	7.6
84.04481	3.9
84.08138	8.7
85.02911	45.8
86.06075	6.0
86.09711	21.5
87.04531	3.5
91.03930	3.6
91.05482	13.0
93.07054	18.2
94.06546	3.9
95.04974	91.1
95.08607	27.7
96.08122	12.6
97.02897	20.6
97.06527	3.3
98.09702	11.8
98.97563	5.1
99.04458	21.2
105.07036	15.5
107.08589	24.3
108.08123	17.4
109.02866	5.9
109.06509	21.4
109.10141	9.2
110.06051	7.5
110.09666	4.7
111.04426	4.0
112.07639	4.5
113.06015	4.8
114.05577	5.2
115.13329	2.9
116.07115	3.6
117.06979	4.7
119.08566	21.1
119.10694	5.2
121.06508	5.3
121.10153	18.2
122.09666	8.0
123.08060	24.6
123.11684	6.6
124.07648	3.7
125.06065	3.3
126.05485	3.7
127.03922	16.1
131.08543	17.0
133.10139	23.0
134.09622	4.9
135.08070	10.6
135.11719	7.4
137.09676	4.0
139.03897	4.9
143.08632	5.1
145.04953	6.3
145.10126	12.7
147.04393	12.5
147.08041	3.6
147.11688	14.3
148.11215	7.4
149.09610	25.1
149.13232	6.5
150.09138	4.2
152.14314	3.2
153.09120	10.2
157.10075	3.3
158.11003	3.2
159.11687	5.8
160.11205	4.0
161.09573	4.2
161.13252	6.3
162.05490	4.1
163.11201	14.6
165.09190	6.0
165.12773	5.9
167.07021	5.0
170.11481	3.0
171.11635	3.8
173.11940	4.2
173.13278	10.7
174.12811	6.5
175.11253	6.0
186.07582	6.6
189.12724	11.4
190.15939	7.4
191.14311	14.1
192.13910	6.4
204.08653	31.4
206.15343	5.1
207.13806	35.8
208.16962	6.3
209.15366	6.5
214.15897	3.6
225.14848	5.2
232.16917	24.2
233.15291	6.4
243.13051	3.4
250.18010	55.0
251.16342	3.8
268.19089	49.3
397.42560	3.2
401.59192	3.1
412.23215	28.3
430.24484	100.0
431.18939	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	430.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01873	9.8
57.03433	6.5
61.02929	7.6
68.99782	3.7
69.03429	32.0
69.46255	9.1
70.06599	1.4
71.01359	1.5
71.04997	5.4
71.66909	1.2
73.02916	7.3
73.29322	1.1
79.05482	1.8
81.03419	31.6
81.07044	1.5
81.75718	1.0
85.02906	100.0
86.03230	1.1
86.09685	1.6
87.00829	44.2
87.04482	1.5
91.03939	2.4
91.05481	3.9
93.77932	1.3
95.08612	1.4
97.02282	2.1
97.02898	39.5
99.04449	16.7
101.23473	1.1
103.05389	1.1
105.01862	59.2
105.07044	2.3
109.02882	35.7
111.09237	1.0
115.03902	1.8
117.01844	3.1
117.22072	1.0
119.08584	2.7
121.06502	2.5
127.03917	81.9
128.06303	1.4
129.01814	4.3
129.07004	7.7
132.59743	1.1
133.76122	1.0
136.54587	1.1
145.04955	45.5
147.02887	2.8
147.08047	29.8
159.02893	21.2
160.03267	1.1
164.10718	1.9
165.09122	5.1
175.07494	1.1
177.04048	1.7
189.03934	2.3
213.03992	3.7
218.17303	1.3
231.05005	26.2
249.06052	6.6
299.42432	1.3
377.12201	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02708	4.1
53.03968	7.6
55.05503	8.8
56.05041	10.7
57.03436	29.9
57.07077	8.8
58.06604	7.1
59.05017	5.5
61.02929	9.1
63.04483	17.0
67.05503	11.5
69.03434	77.3
69.07053	7.2
70.06596	15.1
71.05002	17.0
71.22047	11.1
72.08141	7.2
73.02907	4.9
74.06112	6.1
74.56438	4.2
78.51212	4.1
79.05492	6.0
81.03416	10.1
81.07058	11.2
83.04980	5.9
84.04510	7.0
84.08156	9.8
85.02905	74.7
86.09715	30.8
87.04468	50.2
91.05453	11.2
93.07038	16.3
94.06570	6.5
95.04965	89.2
95.08572	7.8
96.08141	10.8
97.02886	72.2
97.06561	7.7
98.09700	6.9
99.04445	25.3
100.07584	6.2
105.07034	14.2
106.06570	24.0
107.08597	26.5
108.08124	17.3
109.02878	7.9
109.06517	21.1
109.10170	12.4
110.06051	5.5
111.04451	6.4
115.03935	76.4
119.08559	13.8
119.10693	100.0
121.10164	17.8
122.09658	7.1
123.08080	18.8
127.03931	17.5
131.08582	15.0
133.04968	69.1
133.10129	21.4
135.08044	8.7
143.08638	5.8
145.04999	13.5
145.10139	12.9
147.04422	12.3
147.08000	5.9
147.11693	13.1
149.09612	19.0
151.11198	4.9
153.09142	11.3
154.07083	5.0
163.11194	12.8
165.09105	8.4
173.13278	17.2
174.12871	7.9
175.11179	6.2
189.12749	11.4
190.15984	7.5
191.14238	11.7
204.08702	23.7
206.15364	6.1
207.13847	9.6
209.11797	7.5
209.15356	5.8
224.07973	6.3
224.16454	5.1
232.17007	16.1
233.15381	8.6
242.15097	5.8
250.14478	19.9
250.18007	56.1
251.12790	12.7
268.15561	6.4
268.19110	41.0
269.10062	5.2
287.11169	5.9
301.35001	4.8
308.65436	4.8
412.23154	20.5
430.24765	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
57.07066	13.2
67.05499	10.9
71.08634	9.6
81.07035	11.0
98.20743	17.4
106.46317	8.3
107.08627	10.3
109.10220	11.4
119.08530	10.2
135.08025	10.0
137.09610	18.7
149.09627	11.1
163.11255	20.5
165.09125	100.0
175.11176	7.8
190.67143	6.0
205.12270	7.3
219.13806	7.7
346.67877	7.0
429.32089	8.3
429.37338	50.6
430.37973	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	430.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.5
55.01875	10.3
55.84767	1.5
57.03427	6.0
60.04520	2.1
61.02916	6.7
67.05494	2.9
68.99788	2.6
69.03434	33.0
69.07072	2.6
71.04973	5.5
71.60506	3.0
73.02921	9.0
79.05473	4.6
81.03423	36.2
81.07043	7.0
84.04498	4.4
84.08117	1.6
85.02908	100.0
86.09721	2.3
86.59657	1.6
87.00834	29.2
91.03941	3.0
91.05435	4.2
93.07050	3.3
95.04973	1.7
95.08586	1.7
96.08116	2.1
97.02293	2.5
97.02895	36.5
99.04465	19.4
105.01861	30.9
105.07031	6.5
107.08569	2.6
108.04464	9.1
108.08878	1.7
109.02885	33.0
109.06460	4.2
109.10177	1.7
114.09151	4.2
115.03931	2.5
117.01878	4.0
119.08568	1.9
121.06483	3.0
124.07553	2.4
126.05518	3.4
127.03925	74.4
127.07495	1.7
129.01849	4.8
129.06935	1.6
130.05002	8.6
133.06505	4.2
135.11713	1.6
135.62166	1.7
137.05988	19.0
143.08560	1.6
145.04967	40.5
145.06256	2.8
145.06505	2.4
147.02863	5.0
159.02902	25.2
160.09703	12.1
163.07442	1.7
165.05457	2.1
165.09160	10.2
177.03926	1.8
177.05453	3.7
177.09108	4.5
189.03899	3.0
189.09102	6.0
207.10175	2.4
213.03970	4.7
227.10660	2.0
230.06702	4.5
231.04999	15.4
233.11771	2.5
248.07686	6.2
255.10030	1.9
258.17084	3.9
273.11090	3.8
314.16034	2.6
332.17062	6.5
343.47525	1.6
377.12531	2.1
430.21295	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	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05496	2.2
57.07076	15.8
59.43948	0.4
60.76303	0.5
63.10407	0.5
67.05207	0.5
67.05505	4.8
69.07069	4.4
69.80896	0.5
69.94521	2.7
71.08280	0.7
71.08634	10.1
79.05476	2.1
81.06643	0.6
81.07059	6.6
83.04984	0.6
83.08636	2.6
83.78919	0.6
85.10180	6.0
91.05470	2.0
93.07037	1.9
95.08602	6.6
97.10147	1.8
98.20815	0.7
105.07023	1.8
107.08597	5.6
109.10150	5.2
111.04431	0.8
111.11725	1.2
117.07024	0.7
119.08604	3.6
121.06448	0.8
121.10135	3.7
122.07253	0.9
123.08054	1.0
123.11665	1.4
131.08565	2.3
133.10117	1.2
135.08075	3.9
135.11678	2.4
137.06003	0.7
137.09604	7.5
139.07549	2.6
145.10127	2.1
147.11694	0.9
149.09624	13.4
149.13193	0.5
151.07527	1.0
159.08076	1.0
159.11702	3.4
160.08847	0.7
162.06702	0.6
163.07518	0.9
163.11179	19.0
165.09111	100.0
166.09460	1.9
172.08707	0.5
173.09636	2.1
173.13254	2.1
175.07614	1.0
175.11195	6.2
176.08319	1.4
177.09129	11.9
177.12688	2.8
179.10684	1.4
186.10381	0.7
187.11203	2.9
187.14806	0.6
189.09090	0.7
189.12759	2.3
190.09906	0.7
191.10696	9.7
191.14301	0.6
193.12231	0.7
201.12766	2.9
203.10663	1.5
203.14287	1.2
204.11478	1.0
205.12234	11.2
215.14343	1.4
219.13797	5.4
229.15916	1.0
233.15346	2.5
247.16968	1.4
253.25407	0.6
253.77313	0.5
261.18460	0.7
275.20029	1.9
289.21613	2.0
303.23270	1.9
317.24777	1.0
359.29410	0.8
373.31104	1.1
401.34195	2.5
411.36185	2.7
429.37289	60.6
430.37936	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	429.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.05501	2.0
57.03434	5.9
57.07070	0.5
65.03956	0.6
67.05169	0.6
67.05506	9.3
68.87637	0.3
69.07066	2.1
71.04994	0.3
71.08597	0.3
71.60912	0.3
71.61262	0.4
79.05054	0.7
79.05495	8.5
81.03436	0.6
81.07054	10.9
83.04994	0.6
83.08624	1.1
85.06518	0.7
85.93571	0.3
89.28340	0.4
91.05479	5.1
93.07040	11.7
95.04962	1.2
95.08610	7.0
97.02914	0.4
97.06561	0.6
97.10189	0.5
98.98499	0.4
105.07034	4.1
107.08587	7.8
109.10155	3.8
111.08051	0.5
113.00014	100.0
113.09621	0.5
114.00436	0.5
117.07040	1.8
117.07754	0.5
119.08574	3.7
121.10144	5.8
123.08081	0.4
123.11681	2.2
131.01047	1.2
131.08554	4.4
133.10136	2.6
135.11707	5.7
137.09631	0.4
137.13251	1.1
139.01563	0.8
145.10115	3.3
147.11671	2.1
149.09666	0.6
149.13243	4.3
151.11169	0.3
151.14787	0.4
154.02634	1.4
155.01036	1.0
159.11702	3.1
161.13284	1.8
163.11150	0.4
163.14793	3.0
169.02608	98.8
170.02925	1.6
173.13258	3.3
175.14830	0.6
177.12753	0.4
177.16365	1.0
179.14395	0.5
180.37962	0.4
187.03796	0.5
187.14845	1.5
191.14244	0.4
201.16426	0.9
211.13263	0.4
233.22614	1.1
243.21078	7.7
261.22144	23.1
262.22427	1.5
275.23630	0.9
344.02557	0.3
349.18216	0.4
425.32736	0.3
429.18903	1.7
429.23993	3.3
429.29694	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	429.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28025	1.1
55.05505	3.3
56.96554	4.5
57.07073	100.0
63.92822	1.5
67.05499	2.4
69.07030	1.6
71.59623	1.2
79.05498	3.7
81.07041	6.0
83.04971	1.3
85.06541	16.7
91.05437	7.3
93.07031	3.7
95.04944	2.2
95.08587	2.2
103.05466	1.3
105.07023	7.4
107.04961	7.0
107.08569	4.0
112.99991	3.0
115.05431	2.0
117.03363	2.7
117.07002	2.4
119.08582	4.7
121.06480	2.6
121.10165	1.5
128.06158	1.5
129.07001	9.7
131.04921	2.0
131.08560	4.1
133.06471	2.2
133.10127	2.4
134.07277	1.4
134.47311	1.2
135.04385	6.6
135.08069	3.3
136.05185	5.4
137.06029	7.3
137.06897	1.4
145.02919	1.6
145.06439	1.5
145.10063	1.7
147.11652	3.1
149.02298	7.5
150.06764	5.8
151.07533	43.5
157.06483	7.7
161.05962	3.3
161.09602	2.0
163.03928	14.7
163.07552	4.6
165.05473	1.8
165.06955	2.1
165.09108	28.7
166.07756	1.2
169.02592	2.0
174.06763	5.2
175.07567	4.2
178.07751	2.0
179.08440	2.3
181.06436	1.8
184.07298	3.6
189.07397	2.0
189.09099	35.8
192.09389	1.7
193.04974	8.8
195.08087	3.2
196.08757	1.8
197.04573	1.4
203.10677	2.9
203.17915	3.8
205.06453	1.5
207.08058	2.2
208.08815	2.6
209.09628	2.0
211.07573	2.0
221.09605	2.7
223.07463	3.1
224.08388	3.1
225.09206	3.0
235.07571	3.4
235.11159	3.0
236.08365	1.9
236.11940	2.6
237.00720	2.7
237.07430	2.7
237.09477	2.1
238.09671	1.4
239.10638	4.7
241.08604	1.3
252.07895	1.6
253.08574	2.2
255.01659	1.9
261.22198	1.6
263.10669	3.1
264.11414	2.2
267.10352	3.1
267.13766	13.8
268.11017	2.2
269.08032	1.4
273.02933	2.0
281.11746	5.2
284.10315	3.3
286.11935	2.8
295.13278	12.1
299.12775	20.1
327.15918	23.8
341.06647	2.4
345.16968	2.4
385.09286	2.3
429.11917	9.6
429.22867	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	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85358	3.8
51.10759	3.5
53.03941	10.9
55.01870	13.6
55.05511	21.6
56.05820	3.9
57.03439	31.0
59.03312	3.4
59.05004	3.8
61.02926	20.0
67.05511	39.3
69.03440	35.8
69.07059	12.6
70.06577	5.9
70.82834	5.0
70.83140	7.1
71.01353	11.0
71.04983	11.0
73.02914	13.0
75.04511	4.3
79.05501	40.9
81.03415	100.0
81.07056	45.2
83.04970	13.2
83.08608	16.3
85.02907	52.9
85.06569	4.8
86.09692	9.1
87.04473	5.4
90.14851	3.4
91.03960	14.1
91.05477	82.4
93.07040	31.4
95.01329	3.8
95.04974	92.5
95.08635	18.4
95.56300	3.4
96.46783	3.2
97.02893	37.7
97.06552	6.7
97.10165	8.8
97.89223	3.4
98.97575	3.7
99.04457	13.8
103.03947	16.4
103.05453	6.6
105.07047	35.4
107.04964	29.3
107.08592	25.0
109.02894	26.0
109.06509	12.7
109.10172	13.9
111.04433	10.7
111.08111	8.4
115.05479	4.5
116.07111	6.0
116.98615	4.4
117.07021	13.6
119.04887	8.1
119.08578	57.4
121.02868	4.4
121.06499	13.8
121.10130	20.9
123.04434	55.9
123.08061	6.6
125.09716	4.3
127.03928	33.1
128.06158	4.5
129.06989	19.1
131.04936	5.5
131.08553	15.1
133.06529	8.0
133.10118	13.9
135.04399	5.1
135.08014	13.8
135.11682	15.8
137.05972	9.8
137.09604	4.7
143.08531	5.8
145.06505	7.0
145.10152	24.1
147.04413	12.1
147.08047	39.6
147.11665	18.1
149.05992	6.7
149.09634	6.4
153.09076	4.5
157.10089	12.5
159.11751	4.4
161.09602	8.1
161.13239	4.1
163.11176	29.6
165.12714	6.8
169.22496	3.5
171.11681	8.7
173.09671	8.0
175.11217	12.6
177.05460	6.1
181.12306	3.6
183.06509	5.0
189.05479	7.1
189.11180	4.7
189.12753	11.4
191.10658	6.1
193.12250	31.7
199.11218	4.6
199.77617	4.7
205.12273	9.6
207.13820	12.1
211.13243	33.0
213.12602	4.2
217.12227	11.0
223.13304	4.5
231.13843	7.0
235.13315	79.2
237.14438	4.9
246.14925	26.7
246.64984	4.3
247.13220	5.0
249.14961	13.1
251.90970	3.7
253.14299	8.3
259.13321	15.8
261.14987	5.5
267.16016	26.1
273.14963	23.8
277.14426	11.5
283.13419	5.2
285.16974	8.6
289.14380	8.1
301.14325	32.9
309.16986	43.5
319.15405	11.2
333.17017	8.0
337.16364	6.3
345.16827	4.2
351.17789	7.0
363.17966	5.2
370.90140	4.4
375.18115	28.3
393.19101	15.1
411.20108	16.6
429.21423	59.3
432.76230	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	429.212
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
53.03941	9.1
53.78134	1.8
55.01874	6.5
55.05515	16.3
56.54846	1.7
57.03438	21.3
61.02935	3.3
64.65916	1.8
65.03949	1.8
67.05512	17.9
69.03429	35.4
69.07069	9.1
69.55375	13.7
71.04986	8.5
73.02915	6.1
73.06551	3.4
75.54903	1.9
79.05496	21.6
81.03420	100.0
81.07055	29.7
83.04991	18.5
83.08620	22.4
85.02902	27.3
85.06538	2.4
86.09708	4.3
87.04429	3.0
87.94692	1.9
91.05476	26.0
91.26968	1.9
93.07048	20.6
95.04980	33.0
95.08577	9.2
97.02895	55.4
97.03522	3.7
97.06546	6.0
97.10179	4.6
99.04446	10.9
101.02363	2.6
103.03933	4.4
105.07018	22.1
107.04954	11.7
107.08620	12.1
109.02890	16.6
109.06516	7.7
109.10152	4.6
111.04445	9.1
111.08076	11.1
114.53371	1.9
115.05502	2.3
117.07063	5.2
119.04939	2.2
119.08585	20.5
120.08159	4.5
121.06508	5.7
121.08453	3.6
121.10139	14.2
123.04462	3.6
123.08092	2.6
123.11735	3.8
125.09651	4.0
127.03929	19.5
129.05498	4.4
129.07037	10.7
131.08557	9.8
132.36143	1.8
133.06516	3.6
133.10126	9.7
135.11684	2.0
137.09636	4.7
142.07829	2.6
143.08537	3.7
145.04929	2.8
145.10144	9.2
147.04396	3.0
147.08058	7.7
147.11694	19.0
149.09631	7.4
157.10110	12.4
161.09679	2.6
163.11186	18.2
165.12781	4.4
171.11667	2.4
175.11183	17.7
177.05614	2.0
181.12230	2.3
189.12804	3.2
193.12242	57.2
211.13292	83.7
211.15269	4.5
217.12411	3.1
227.12860	2.9
229.14311	3.0
235.13344	6.1
249.14726	10.0
259.13248	2.3
265.08963	2.3
267.10413	3.8
267.15982	6.6
285.11807	2.2
285.16989	21.5
301.14230	3.2
309.17020	4.4
313.16586	2.6
337.16476	4.9
355.17566	5.6
375.17990	3.3
393.19257	4.5
397.23792	2.1
411.20142	9.7
429.21268	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
51.31447	1.3
53.03947	7.5
55.01870	4.1
55.05515	12.1
57.03439	15.9
61.02927	2.8
65.03925	1.5
67.05505	15.9
68.60185	1.2
69.03429	26.0
69.07059	5.9
70.86565	2.3
70.86964	2.6
71.04993	6.6
72.08160	2.5
73.02921	2.3
79.05499	16.0
81.03419	74.1
81.07059	20.0
83.04984	16.2
83.08615	13.9
85.02909	21.6
85.03374	2.2
85.06538	2.3
86.09711	6.6
87.04469	2.1
91.05481	19.3
93.07045	10.0
95.04969	22.6
95.08604	7.6
97.02895	43.3
97.06533	3.9
97.10177	4.0
99.04460	5.6
101.02405	2.6
103.03949	3.6
105.07028	19.2
107.04974	6.2
107.08596	5.6
109.02896	14.1
109.06508	4.1
109.10159	3.0
111.04453	5.3
111.08089	8.5
113.06047	1.9
115.05498	1.8
116.07069	1.5
116.98627	1.3
117.07035	2.4
119.08576	13.6
121.06530	3.7
121.10146	7.5
123.04424	2.1
123.08051	2.4
123.11729	2.3
125.09617	1.7
127.03922	15.4
129.05502	4.2
129.07008	8.7
131.08594	8.1
133.06508	2.9
133.10129	6.6
135.11748	1.4
137.05974	3.1
137.09622	1.8
142.07814	1.6
145.04935	2.5
145.06516	1.9
145.10146	4.0
147.08015	2.5
147.11693	15.0
149.09619	5.7
153.12755	1.8
157.10114	12.9
163.11212	3.7
165.12773	6.2
175.11200	11.7
177.05505	1.4
181.12276	1.8
183.06561	3.1
189.11195	1.8
189.12788	1.9
191.10651	2.9
193.12260	51.0
201.07588	1.7
211.13297	88.4
212.13751	1.4
223.13416	1.3
227.12703	3.0
229.14397	4.2
231.13844	1.5
235.13307	2.3
236.01025	1.1
249.14874	11.7
252.66600	1.3
259.21820	1.2
265.14600	1.7
267.15979	7.9
273.14871	1.4
283.15533	1.6
285.16940	16.6
301.14398	2.2
309.16904	2.1
317.29034	1.2
319.15543	2.6
337.16422	2.9
339.18814	1.3
355.17538	4.3
375.18182	2.5
393.19284	4.6
411.20050	6.6
429.21234	100.0
430.21631	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2118
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.03941	8.2
55.01876	7.0
55.05513	13.5
57.03444	25.8
60.04544	2.2
60.25172	2.1
61.02930	32.8
67.05507	22.7
69.03437	29.7
69.07069	9.5
70.67220	6.4
71.01370	4.2
71.04993	4.7
72.08182	2.7
73.02926	16.7
79.05502	29.0
81.03426	100.0
81.07067	30.4
82.74825	2.3
83.04984	11.0
83.08642	13.1
85.02911	41.1
85.06549	3.2
86.09713	7.3
87.04472	4.2
89.44379	2.1
91.03963	18.4
91.05463	37.0
93.07056	20.9
95.01350	2.9
95.04975	53.8
95.08617	12.4
97.02899	47.6
97.06519	6.5
97.10190	5.0
99.04468	11.1
101.02390	4.3
103.03967	10.4
103.05444	2.4
105.07029	19.7
107.04978	16.4
107.08606	11.7
109.02907	15.6
109.06511	10.7
109.10191	5.6
111.04446	5.8
111.08095	9.0
115.03948	3.4
115.05437	2.3
116.07070	2.4
117.05457	2.7
117.07033	6.8
119.04997	3.3
119.08594	25.5
121.02929	2.3
121.06510	7.4
121.10175	9.3
123.04429	18.9
123.08053	2.8
125.09588	2.5
127.03934	20.0
129.05482	3.9
129.07040	11.2
129.07922	2.4
131.08574	14.0
133.06459	4.2
133.10139	9.7
135.04393	2.0
135.08054	5.0
135.11713	7.8
137.05992	5.9
137.09604	3.4
137.13293	4.0
142.07767	5.1
143.08531	2.5
145.04948	8.0
145.06453	4.2
145.10118	12.6
147.04413	8.0
147.08046	21.8
147.11700	15.9
149.06087	3.5
149.09627	7.3
153.09079	4.0
155.08528	3.7
157.10130	10.9
159.11653	4.8
161.06133	2.1
163.11194	16.4
165.12820	4.6
167.07082	3.3
171.11676	5.2
173.09636	6.5
175.11208	12.6
177.05447	3.4
179.07047	2.8
189.12793	5.6
191.10696	3.9
193.12259	37.8
200.20416	2.4
200.95940	2.3
205.12399	3.3
207.13857	7.2
211.13322	25.2
217.12282	3.7
223.13409	2.5
229.12273	2.5
235.13281	44.6
249.14886	9.6
253.14467	6.1
259.13388	9.2
267.15927	48.8
273.14816	16.6
277.14471	5.1
283.13498	4.0
285.17026	8.2
289.14334	2.6
291.15936	2.7
301.14426	14.3
309.17014	22.7
309.82861	2.4
319.15448	6.6
337.16705	3.9
345.17178	2.6
351.17960	5.8
359.02713	2.4
363.17969	2.4
375.18140	13.7
393.19101	9.6
411.20129	8.9
429.21426	46.5
442.85266	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01868	2.6
55.05499	8.1
57.03433	8.7
61.02926	2.8
62.77193	1.6
67.05501	4.0
69.03429	19.6
69.07065	4.3
69.82712	10.1
70.06591	2.2
71.04980	5.8
73.02927	3.5
79.05494	19.8
81.03411	10.6
81.07055	11.6
83.04983	2.7
85.02427	1.9
85.02905	22.7
86.09750	1.9
87.00820	8.8
91.05470	25.9
93.07039	77.5
95.04967	9.7
95.08608	7.1
96.36806	1.6
97.02903	11.6
97.06527	2.5
99.04448	4.4
103.05450	1.9
105.01882	10.9
105.07025	17.7
107.04971	3.8
107.08591	36.8
109.02895	10.3
109.06512	6.6
109.10158	5.4
111.08101	1.7
115.05373	1.5
117.07023	4.4
119.08595	5.7
121.05650	2.9
121.06503	45.3
121.10137	79.2
122.10425	1.9
123.08092	2.8
127.03910	21.1
129.01842	2.2
130.07785	4.0
133.10184	1.9
135.11690	28.3
139.07562	2.1
139.11212	4.0
145.04932	6.2
145.10114	35.1
149.09637	2.3
159.02904	4.3
161.09622	1.8
163.03928	9.9
163.11183	66.8
181.12230	100.0
182.12607	1.8
219.34087	1.6
231.05048	5.6
343.17261	3.6
385.18469	10.0
429.17358	32.9
430.17868	1.6
450.16940	1.7
452.85501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14087	0.9
53.03935	4.2
55.01859	4.2
55.05517	2.2
56.96555	1.2
57.03421	3.9
61.02910	3.2
67.05488	1.5
68.99806	1.5
69.03082	1.3
69.03431	19.5
69.07050	1.4
69.75365	6.5
70.06580	4.1
71.04971	2.9
72.08160	2.1
73.02920	5.7
79.05477	3.7
81.03419	19.1
81.07070	5.8
83.04972	4.0
85.02907	41.6
85.03428	2.2
86.09701	2.9
87.00826	14.0
91.05437	7.3
93.07043	9.2
95.04961	16.6
97.02890	13.7
97.06492	1.2
99.04459	8.5
103.03928	2.4
105.01861	15.0
105.07044	8.4
107.08595	9.8
109.02881	16.5
109.06519	2.7
112.63289	1.0
115.03871	1.1
116.98600	1.0
117.01822	2.7
117.07004	3.7
119.08549	3.5
120.67190	1.1
121.06479	3.6
121.10136	8.4
123.08099	1.3
125.05978	1.1
127.03915	34.2
129.01801	2.4
130.07759	2.2
131.08575	1.0
133.06511	1.2
133.10123	1.2
135.08055	2.0
135.11684	6.0
143.08678	1.2
145.04970	13.8
145.10127	13.3
147.02873	2.5
147.08037	2.4
151.07526	1.2
158.97414	1.1
159.02884	13.9
159.11723	1.2
161.09592	2.0
163.03900	2.6
163.11172	100.0
164.11571	2.1
165.09082	1.7
165.12715	1.7
167.07053	3.6
175.11180	1.6
181.12210	6.6
183.10040	1.2
187.11240	1.5
189.03975	2.7
198.74564	0.9
205.12231	5.8
213.04015	1.7
223.13271	8.7
231.05000	7.7
237.02856	1.2
249.06032	1.2
267.16187	1.0
271.13306	1.6
307.15714	1.4
337.09036	1.2
359.02927	1.2
375.14209	1.3
379.34485	1.1
393.15216	3.1
411.16364	2.2
429.21445	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01871	3.1
55.05506	8.6
57.03444	7.4
57.07068	1.1
61.02929	1.7
67.05494	3.6
68.99789	1.1
69.03429	14.2
69.07069	3.3
69.83797	4.1
69.84203	2.3
71.04979	4.3
73.02909	2.4
79.05489	18.4
81.03423	9.1
81.07057	10.9
83.04972	1.9
85.02907	19.4
86.09696	1.2
87.00822	7.9
91.05473	17.2
93.07039	65.9
95.04982	8.3
95.08592	5.9
97.02895	14.3
97.06519	2.0
98.21449	1.3
99.04462	4.0
103.05447	2.2
105.01862	8.0
105.04510	2.1
105.07030	15.5
107.04957	3.0
107.07864	2.2
107.08588	32.8
109.02867	11.7
109.06508	3.8
109.10144	4.8
111.04413	1.6
117.06997	4.2
118.98315	1.0
119.08582	4.7
121.06506	40.7
121.10137	64.9
123.08070	2.9
125.06013	1.2
127.03075	1.9
127.03927	21.8
130.07761	4.3
133.06418	1.1
133.10135	1.6
135.08047	1.9
135.11685	24.0
139.07513	2.7
139.11151	4.2
143.08611	1.4
145.04977	6.9
145.10121	37.3
159.02902	3.9
161.09569	1.8
163.03938	1.7
163.11176	63.5
164.11584	2.2
180.85664	1.3
181.12228	100.0
182.12459	1.8
231.05026	4.7
248.23421	1.0
307.15393	1.4
343.17114	1.5
385.18192	4.0
429.17224	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	429.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01868	2.6
55.05499	8.1
57.03433	8.7
61.02926	2.8
62.77193	1.6
67.05501	4.0
69.03429	19.6
69.07065	4.3
69.82712	10.1
70.06591	2.2
71.04980	5.8
73.02927	3.5
79.05494	19.8
81.03411	10.6
81.07055	11.6
83.04983	2.7
85.02427	1.9
85.02905	22.7
86.09750	1.9
87.00820	8.8
91.05470	25.9
93.07039	77.5
95.04967	9.7
95.08608	7.1
96.36806	1.6
97.02903	11.6
97.06527	2.5
99.04448	4.4
103.05450	1.9
105.01882	10.9
105.07025	17.7
107.04971	3.8
107.08591	36.8
109.02895	10.3
109.06512	6.6
109.10158	5.4
111.08101	1.7
115.05373	1.5
117.07023	4.4
119.08595	5.7
121.05650	2.9
121.06503	45.3
121.10137	79.2
122.10425	1.9
123.08092	2.8
127.03910	21.1
129.01842	2.2
130.07785	4.0
133.10184	1.9
135.11690	28.3
139.07562	2.1
139.11212	4.0
145.04932	6.2
145.10114	35.1
149.09637	2.3
159.02904	4.3
161.09622	1.8
163.03928	9.9
163.11183	66.8
181.12230	100.0
182.12607	1.8
219.34087	1.6
231.05048	5.6
343.17261	3.6
385.18469	10.0
429.17358	32.9
430.17868	1.6
450.16940	1.7
452.85501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65543	1.2
55.01862	4.7
55.05500	1.9
56.48549	1.2
63.57975	1.1
67.05464	1.7
69.03439	1.8
69.07066	1.7
71.26384	1.2
78.04709	1.9
79.05496	5.6
81.03416	2.2
81.07048	4.0
85.02903	2.3
85.06530	1.5
91.05467	3.2
93.07047	2.4
95.04975	2.0
95.08612	2.6
97.02881	2.4
97.06517	2.0
103.05461	5.8
105.07027	3.8
107.04966	8.4
107.08598	2.0
109.02839	3.7
115.05473	1.4
118.04110	2.1
118.08646	5.5
119.08556	1.9
121.10149	1.5
123.04418	4.0
124.05157	2.2
127.03992	1.8
130.04245	1.9
131.04938	13.4
134.03629	1.6
135.04413	2.1
137.05975	3.7
144.05696	2.2
145.06482	1.8
145.10176	1.8
147.04393	2.2
151.03906	1.4
151.07513	1.7
155.04893	5.8
156.05569	1.3
159.04349	1.4
161.05988	2.6
163.03923	1.7
163.11258	1.4
165.07014	1.6
167.07053	43.6
172.05205	1.5
175.07542	2.6
176.04637	2.4
177.05470	3.5
177.06969	1.6
178.07741	4.5
179.08649	1.6
183.04491	1.7
187.07523	4.2
189.07001	4.8
190.07787	4.1
191.07011	12.1
191.08618	3.0
192.07805	2.1
193.10127	1.4
200.04701	2.5
202.07744	6.4
203.08574	6.5
205.06532	7.6
206.07332	6.7
207.08078	2.8
215.06999	14.4
215.08592	1.6
217.06419	3.5
218.07231	3.4
219.08031	8.1
220.08757	4.5
221.09630	5.5
222.06593	2.3
223.07556	3.9
230.07220	2.5
231.08101	17.4
232.08936	2.9
233.05983	4.4
233.09698	1.6
234.06749	8.9
235.07558	3.7
237.09103	2.8
244.05319	3.2
245.06018	5.3
246.06763	2.9
247.07568	8.5
248.08345	11.7
249.05560	2.0
249.09135	10.6
250.06216	2.7
251.06915	5.3
258.06769	5.0
259.07574	14.3
260.08337	5.7
261.05511	5.7
261.09006	4.1
262.06311	6.0
262.09561	1.2
263.07101	4.7
263.10684	3.3
264.07831	3.1
265.08560	5.1
266.09387	1.5
272.04657	2.9
273.09045	2.7
274.06052	2.3
275.07080	5.4
276.07837	14.5
277.08621	13.7
278.09442	2.2
279.06601	2.8
287.07031	14.1
288.07819	4.2
289.05191	2.7
289.08539	6.9
290.05856	2.6
290.09341	10.5
291.07001	1.8
291.10162	28.3
292.10687	1.3
293.08118	4.8
294.08722	3.5
301.08661	1.5
304.07388	10.0
305.08124	40.8
306.08783	5.3
307.09531	2.5
309.11066	3.5
318.08859	3.7
319.09659	52.1
320.10263	8.7
321.07523	4.5
322.08340	4.9
325.10699	1.8
336.09909	8.7
337.10709	54.2
338.11493	2.1
351.12280	100.0
369.13403	14.0
429.27490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30615	1.2
55.01871	6.6
57.03436	1.4
65.03899	1.5
69.07030	1.6
69.80025	7.0
78.86533	1.4
79.05476	3.9
81.03404	2.4
81.07027	3.0
83.04978	2.7
83.08620	1.3
83.62109	1.3
85.02894	2.1
88.83762	1.3
91.05480	5.2
91.36897	1.4
93.07018	1.9
95.04954	3.4
95.08550	2.4
97.02892	3.3
98.21445	2.0
103.05445	5.9
105.03422	1.4
105.06998	3.9
107.04948	8.1
107.08595	2.8
109.10121	1.5
115.05421	3.5
117.03352	1.7
118.04095	1.5
119.08612	2.8
121.06487	1.6
123.04384	3.0
124.05173	2.5
127.03886	2.6
128.06187	1.7
129.06969	1.5
130.04103	2.9
131.04909	13.1
131.08569	2.0
132.05789	1.7
133.06493	1.7
133.10127	2.0
134.03641	2.8
135.04396	2.8
135.08020	1.6
137.05975	3.6
144.05708	4.2
145.06406	1.7
147.11678	1.9
149.02365	1.9
149.06056	1.6
155.04884	5.5
157.10181	1.6
163.03909	11.9
165.06868	2.0
167.07033	53.9
172.05212	3.8
175.07576	2.1
176.04643	3.5
177.05403	4.0
177.06940	2.4
178.06354	1.6
178.07727	7.0
183.04399	1.9
187.07523	6.9
189.07002	5.8
190.07602	3.3
191.07021	10.5
191.08562	3.6
193.04942	2.3
194.07127	1.3
195.06427	2.1
195.07994	2.7
200.04680	2.0
202.07797	9.0
203.08612	7.9
203.10162	1.4
205.06491	8.7
206.07224	8.1
206.61143	1.5
207.08093	4.0
209.09628	1.5
215.06969	20.3
215.08774	2.1
217.06554	3.3
217.26241	1.4
218.07291	6.1
219.08075	11.1
220.08795	5.3
221.09576	5.7
223.07513	3.7
229.06509	2.8
230.07214	3.9
231.08054	19.1
232.08495	1.8
233.05908	7.9
233.09613	1.9
234.06718	12.7
235.07501	3.6
236.08331	2.4
237.09174	2.1
240.50510	1.5
244.05202	4.9
245.05995	5.4
245.09657	2.0
246.06676	2.5
247.07501	11.8
248.08311	9.7
249.09180	13.0
251.07028	8.1
257.06006	1.6
258.06766	4.6
259.07541	20.5
260.08295	7.3
261.05591	7.0
261.09085	5.3
262.06256	7.4
262.09753	1.9
263.06989	4.8
263.10574	2.7
264.07877	2.4
265.08527	8.2
266.05835	1.7
266.09390	1.9
272.04724	5.0
273.05444	3.1
273.09058	1.7
274.06168	3.4
275.06989	7.8
276.07840	18.7
277.08551	15.2
278.09088	2.5
279.06494	4.4
279.09796	2.7
287.06989	19.0
288.07697	3.2
289.05161	3.5
289.08551	8.0
290.05930	2.5
290.09274	11.3
291.06970	1.5
291.10086	31.5
293.08008	7.2
294.08884	2.5
301.08478	2.0
303.06525	3.2
304.07336	10.8
305.08072	42.5
306.08801	5.4
307.09546	5.2
309.11261	4.4
318.08759	3.2
319.09634	55.5
320.10281	8.5
321.07523	5.3
322.08252	3.8
325.10452	2.2
336.10010	10.0
337.10669	58.4
338.11349	2.6
339.12369	2.0
351.12247	100.0
352.12494	2.8
369.13339	19.2
429.11401	2.3
429.19250	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46125	0.2
56.96579	1.6
57.03438	0.3
59.06131	0.3
59.52655	0.2
61.02919	0.4
67.05508	1.3
69.03111	0.2
69.03430	1.1
69.07028	0.2
69.94244	1.6
71.04980	0.3
73.02917	0.6
78.99526	0.2
81.03413	0.5
84.96024	0.4
85.02904	2.1
86.09712	0.3
87.04487	0.3
91.05798	1.1
94.06013	0.5
94.06572	5.3
95.04975	0.3
97.02908	1.2
98.97584	1.8
100.03973	1.8
101.02418	0.4
106.06561	1.6
109.02898	0.3
110.97600	0.4
114.07387	0.3
116.98631	1.8
118.05025	1.1
119.01851	0.4
119.04915	0.5
121.75798	0.2
122.06037	5.0
123.04404	0.4
127.03956	2.1
128.04192	0.3
128.98633	0.8
129.07962	0.3
131.00101	0.3
131.01898	0.3
133.03407	0.2
134.99669	1.0
136.06161	1.2
136.07579	0.6
145.04898	0.3
146.99704	1.2
147.04454	1.2
150.05515	100.0
151.05853	1.5
158.99677	0.5
161.01257	0.6
167.05589	0.5
168.06580	3.1
171.05019	0.4
174.99174	0.6
177.00775	0.6
182.08090	1.2
182.99765	0.3
189.00667	0.5
193.00290	1.2
198.96951	0.4
201.00690	1.3
203.02022	0.3
219.01741	1.7
221.05060	0.7
223.01453	0.3
237.02879	3.1
245.05161	0.3
251.04413	0.3
261.02936	0.3
261.08405	0.6
267.09781	28.7
268.10104	0.6
279.09457	0.3
311.06262	0.3
322.60562	0.3
326.19339	0.3
329.05457	1.3
343.00464	0.3
347.06436	0.6
351.03897	0.4
359.02805	0.5
369.04944	0.4
369.10129	0.3
393.12384	1.0
411.06030	0.4
429.06598	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
65.03935	0.3
67.05508	1.2
69.03440	0.3
70.06577	0.2
71.49972	0.5
74.11111	0.3
85.02891	0.8
87.13605	0.2
91.05786	0.9
94.06014	0.4
94.06577	5.3
94.14345	0.2
97.02859	0.3
98.97578	1.0
100.03998	1.6
101.02390	0.4
106.06563	2.2
109.02929	0.3
114.73856	0.2
116.98608	0.4
118.05000	1.2
119.04982	0.3
122.06029	4.9
127.03922	0.8
127.06750	0.2
128.04279	0.2
134.99670	0.4
147.04399	1.2
150.05507	100.0
151.05849	1.3
158.99699	0.3
167.05568	0.4
168.06557	3.1
177.00720	0.4
189.03986	0.6
198.96890	0.4
201.00705	0.5
216.97925	0.5
219.01781	0.3
237.02837	0.6
267.09766	24.7
268.10156	0.5
271.56845	0.2
288.56583	0.3
348.05988	0.2
359.02921	0.5
429.13745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
60.04526	0.8
63.02380	0.6
67.01835	1.0
69.03410	2.3
69.79712	4.0
69.90343	0.7
79.05470	0.9
81.03418	5.5
81.07076	0.8
85.02888	2.1
86.88625	0.7
87.06091	0.6
89.03907	4.9
97.02872	7.2
97.07629	0.9
98.21515	0.9
99.04436	1.4
105.01863	0.7
105.07078	0.6
107.04930	2.6
109.02875	8.1
117.03368	7.6
127.03913	6.9
135.04413	18.6
145.02823	11.6
163.03896	100.0
164.04202	1.1
181.04929	3.8
286.90396	0.8
303.83148	0.6
307.08136	2.3
307.47104	0.7
411.09192	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09305	0.4
65.03934	0.6
67.73651	0.4
69.03420	1.5
69.26572	4.9
81.03403	0.7
81.07018	0.6
83.04946	0.6
84.04518	0.4
85.02903	5.0
87.04455	0.6
91.05457	5.2
95.04939	1.1
97.02911	2.1
99.04469	0.6
103.03906	0.7
105.07091	0.4
109.02870	0.6
110.77962	0.4
111.04418	1.0
116.07118	0.4
119.04957	17.1
119.08591	0.6
120.08096	0.8
123.04362	0.5
127.03894	1.0
137.05956	1.2
145.02852	0.7
145.10065	0.6
147.04410	100.0
148.04770	1.7
150.64473	0.5
151.01292	0.4
163.11159	0.5
165.05507	1.1
177.05513	0.8
221.08154	0.6
223.13403	0.5
239.09180	0.8
244.07283	3.5
249.14890	0.5
267.16104	0.5
337.09631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.05504	1.6
67.01845	0.8
67.05485	0.9
69.03421	3.9
69.07055	1.1
70.06063	0.7
70.24532	3.3
70.40239	0.7
71.04986	1.8
73.02921	0.8
79.05475	2.5
80.63551	0.8
81.03423	6.3
81.07065	1.7
83.04957	1.5
85.02918	3.6
86.09675	0.8
87.00816	1.6
89.03915	5.7
91.05464	2.2
93.07047	2.8
95.04939	2.0
95.08571	1.8
97.02891	9.8
97.06545	1.9
99.04435	2.5
104.68092	0.9
105.01826	0.9
105.07011	1.5
107.04948	2.0
107.08581	2.0
108.46413	0.7
109.02882	9.7
109.10148	1.4
110.55885	0.7
117.03382	5.6
119.08621	1.8
121.10087	1.0
127.03909	8.9
131.08580	0.8
135.04424	16.8
135.08022	1.8
139.07436	0.8
143.08539	1.3
145.02861	12.0
145.10071	1.2
147.11664	1.1
149.02370	1.5
151.07535	1.4
157.10054	0.8
159.08078	1.0
163.03903	100.0
165.09074	1.7
170.10954	1.0
175.11194	0.8
181.04900	3.4
186.05444	1.0
193.05046	1.2
213.88339	0.8
276.07941	0.8
307.08237	2.1
315.19666	0.9
337.10907	0.9
351.12024	1.0
393.08401	1.0
411.09183	14.3
429.12643	1.6
429.19507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15854	0.7
53.03926	1.8
55.05497	1.0
66.25391	0.8
67.01854	1.1
69.03423	2.1
70.86406	1.9
79.05484	1.9
79.95549	1.0
81.03412	5.4
85.02902	2.6
87.00822	1.0
89.03915	6.9
91.05448	0.8
93.07021	1.1
95.04926	1.1
95.46413	0.8
96.75651	0.8
97.02879	7.6
97.87406	0.8
99.04427	1.8
107.04955	2.0
109.02885	7.3
117.03358	6.4
127.03909	8.7
135.04402	14.8
145.02837	11.4
145.04929	1.0
145.10213	0.9
163.03899	100.0
164.04228	1.5
181.04962	4.3
193.12180	1.1
194.76303	0.8
213.99234	0.8
221.08943	1.0
222.29497	0.8
238.71912	0.8
307.08026	3.0
339.19336	4.9
393.08023	1.3
411.09274	13.3
429.22299	7.6
430.79599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10236	0.7
53.03948	1.8
55.07972	0.7
69.03421	3.1
69.07061	0.8
69.29684	8.6
71.04980	1.2
79.05496	1.3
81.03404	4.4
85.02906	2.5
89.03901	3.7
93.07037	0.9
97.02881	7.3
97.08545	0.8
98.20781	1.4
99.04448	1.4
105.07003	0.8
107.04947	2.4
108.70547	0.7
109.02871	7.7
117.03391	6.4
127.03909	6.9
133.45503	0.7
135.04414	15.2
138.38936	0.7
145.02826	10.6
163.03900	100.0
179.83562	0.7
181.04941	4.5
244.17891	1.0
307.08157	2.0
411.09201	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	429.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.05519	1.7
63.02364	0.9
65.03908	0.6
67.01847	1.3
67.05495	1.4
68.81194	0.6
69.03442	3.6
69.07061	1.2
70.01729	1.2
70.02147	2.8
71.04995	1.4
79.05478	2.4
81.03422	6.2
81.07051	2.5
83.04989	1.2
85.02914	3.2
87.00822	1.8
89.03925	6.0
91.05463	1.5
91.55827	0.7
93.07034	1.9
95.08568	1.5
97.02897	8.5
97.06519	1.2
99.04437	1.9
105.01915	1.2
105.07022	2.4
107.04919	1.6
107.08574	1.7
109.02893	10.7
109.06512	0.9
109.10175	1.1
117.03388	7.0
119.08586	1.4
121.10124	1.4
123.08080	1.3
127.03924	9.3
129.06937	0.8
131.08551	1.1
133.10104	1.1
135.04419	17.9
135.08049	4.4
143.08574	0.8
145.02858	10.9
145.10141	1.1
147.08061	0.8
147.11700	0.9
151.07562	0.9
152.55397	0.6
157.10152	1.0
159.11684	0.9
163.03917	100.0
164.04253	2.7
171.11623	1.0
173.13309	1.0
181.04994	5.4
185.13306	0.8
193.05043	0.8
223.14783	0.7
245.08078	1.5
297.18613	1.2
307.08127	2.3
315.19589	1.9
319.31036	0.9
337.10715	0.8
359.01959	0.7
387.20892	1.1
392.77420	0.8
393.08194	1.0
411.09302	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	429.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
54.25675	0.6
55.05487	1.3
67.05490	1.7
69.03425	2.8
69.07059	1.0
71.04998	1.4
78.47250	0.6
79.05472	1.9
79.73808	0.6
81.03411	5.7
81.07053	1.8
83.05047	0.8
85.02900	2.0
87.00830	1.1
89.03912	4.9
91.05471	1.6
93.07047	1.7
95.04971	1.5
95.08588	1.7
97.02898	8.0
97.10172	0.7
99.04443	1.9
105.01872	0.7
105.07017	1.4
107.04948	3.2
107.08585	2.2
109.02878	8.3
109.10123	1.0
117.03368	5.8
119.08568	1.8
121.10120	1.4
123.04409	0.8
123.11715	1.2
127.03905	7.5
131.04958	1.8
131.08554	0.7
133.06470	0.7
133.10118	1.4
135.04417	18.2
135.08041	1.3
137.05946	0.8
145.02841	12.6
149.02406	0.8
149.06059	0.8
163.03905	100.0
163.11150	0.8
164.04277	1.6
167.07071	4.1
167.08307	0.7
181.04958	4.4
181.10014	0.8
187.07384	0.8
187.14781	0.7
189.07137	0.8
189.16382	0.7
191.07062	1.6
202.07761	0.9
215.07101	2.2
231.08125	1.7
234.06895	1.3
247.07478	1.1
248.08313	1.1
249.09111	1.1
259.07556	1.9
261.05533	1.0
261.08932	0.9
262.06323	0.9
276.07822	2.3
277.08582	2.1
287.07050	1.6
288.07700	0.8
290.09378	1.0
291.10211	4.2
304.07288	1.4
305.08051	3.5
306.08878	0.9
307.08191	2.2
318.09058	1.0
319.09756	5.6
320.10306	1.3
321.07608	0.9
337.10687	7.4
351.12238	9.6
369.13358	1.4
411.09210	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	428.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01860	1.4
55.05511	4.6
56.05024	1.8
57.03435	0.5
57.07061	2.0
60.04528	56.2
65.03947	1.1
67.04239	0.9
67.05169	0.9
67.05502	11.5
69.07066	5.6
69.46119	0.6
70.02931	0.7
70.06591	0.7
71.04964	0.6
71.08611	0.9
71.60543	0.9
72.04503	1.4
74.06059	0.8
79.05499	5.8
80.05020	1.3
81.07057	8.4
82.06112	1.0
82.06579	15.1
83.04967	1.9
83.08635	4.0
85.06522	1.5
90.05556	0.7
91.05477	5.0
93.07037	13.2
94.06573	13.6
95.04360	0.9
95.04966	11.8
95.08619	5.2
96.08144	2.5
97.06520	1.7
97.10165	2.6
98.09693	3.8
103.05463	2.5
108.08112	3.7
109.06520	2.1
109.83508	0.5
110.06048	2.3
110.09686	7.8
111.08078	3.3
111.11745	0.7
111.61065	0.5
112.07605	1.8
120.08096	6.5
121.06509	5.6
121.10191	0.6
126.09162	7.8
128.10739	0.6
138.09142	38.6
139.07545	5.7
144.10210	1.2
154.08635	0.5
156.10197	24.7
174.11247	7.4
177.11577	0.5
185.52969	0.5
266.24814	2.0
272.25833	1.9
282.24356	0.5
295.84210	0.5
314.26883	1.2
362.30405	0.8
380.31363	1.1
392.31491	1.4
410.32639	22.9
411.33264	1.0
428.33716	100.0
429.19250	0.7
429.34180	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01863	1.3
55.05521	4.5
56.05025	2.3
57.07071	0.9
57.52743	0.7
60.04527	55.2
65.03941	0.8
66.03987	0.8
66.18649	0.8
67.05508	11.0
69.07072	4.4
70.33417	3.7
71.04971	0.8
72.04517	1.3
73.59990	0.7
79.05489	5.1
80.05010	1.2
81.07062	8.3
82.06120	1.0
82.06580	13.3
83.04974	2.4
83.08635	5.8
85.02884	1.0
85.06551	0.9
87.08116	0.7
91.05474	4.4
93.07044	13.0
94.06563	14.3
95.04974	10.6
95.08601	4.8
96.08102	2.6
97.06516	2.3
97.10195	1.6
98.09682	4.3
103.05454	2.1
105.07024	1.0
108.08109	3.3
109.06499	3.0
110.06037	2.2
110.09680	9.9
111.08097	3.5
112.07615	2.3
117.45186	0.7
119.08549	0.8
120.08104	5.7
121.06506	6.6
121.10177	1.2
123.11674	0.8
126.09144	9.0
128.10699	1.1
138.09137	39.0
139.07574	6.3
144.10202	0.7
148.11934	0.7
156.10202	21.4
169.02658	1.2
174.11227	6.7
179.41873	0.8
266.24991	0.9
272.25876	2.5
314.26953	1.8
380.31540	0.7
392.31604	1.4
410.27100	1.2
410.32611	24.2
411.32532	1.1
428.33691	100.0
429.34293	5.0
446.41025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88158	1.9
52.03399	2.0
53.03937	9.2
55.01868	10.5
57.03439	5.1
60.36682	1.7
61.02921	10.3
68.99781	4.6
69.03429	36.8
70.06584	2.3
70.22397	5.6
70.22794	4.9
71.04990	5.7
73.02907	9.1
81.03422	32.2
81.07062	3.0
85.02905	89.5
87.00832	41.4
91.03945	3.4
93.07043	2.0
95.08610	3.8
97.02283	4.1
97.02892	69.8
99.04456	23.5
105.01193	3.5
105.01871	62.1
109.02881	31.4
117.01858	3.8
117.07008	12.6
127.03915	100.0
129.01852	3.2
135.08063	3.6
145.04948	63.3
145.06474	20.7
147.02916	3.0
159.02893	25.9
163.07532	25.2
187.07533	5.1
189.04111	2.6
199.29912	2.9
211.07675	2.3
212.17795	2.3
213.03928	2.0
231.05019	16.9
249.06126	3.1
257.05167	2.3
266.14227	3.0
285.82010	2.2
305.05032	2.4
313.74194	2.7
342.41489	2.2
383.07880	2.4
428.18658	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.1
57.03444	3.9
60.04520	4.4
61.02913	6.7
61.20933	3.0
67.05507	5.4
69.03433	22.8
69.56635	28.3
71.04997	4.2
73.02888	3.3
79.05496	9.7
81.03423	10.0
81.07063	7.5
82.06590	5.2
83.04982	7.3
84.04486	18.0
85.02900	43.1
86.06060	6.1
87.04451	5.5
91.05463	22.0
93.07028	8.8
95.04963	7.9
95.08611	6.6
96.08150	3.8
97.02895	18.9
98.97626	5.1
99.04456	4.2
105.01862	3.4
105.07047	22.0
107.08604	10.4
107.51046	3.3
108.08110	24.0
109.02889	9.4
109.06528	4.8
109.10213	3.8
110.06042	12.4
111.04445	3.6
115.03963	5.6
119.08596	18.0
120.08067	4.8
121.06547	6.9
121.10150	26.8
122.06048	4.2
122.09682	5.4
123.04420	5.1
123.08064	7.5
123.11710	15.1
126.05538	19.8
127.03926	12.5
131.04955	5.8
131.08611	7.8
133.04997	3.7
133.06503	4.1
133.10132	5.2
139.03909	4.5
143.08621	6.9
145.04982	4.0
145.10153	14.3
146.09650	6.9
147.04446	4.9
147.08029	5.6
147.11697	16.4
149.06020	4.4
149.09627	100.0
156.09271	5.5
158.09715	3.8
161.09648	3.6
162.12770	4.6
163.11238	5.8
164.10727	4.8
165.08986	3.6
167.10660	8.7
171.11743	7.0
172.11162	6.7
173.09711	4.0
173.11894	3.3
179.03377	4.8
180.03688	4.7
180.13927	5.1
186.07645	10.1
186.12839	7.1
188.14342	19.2
189.12775	33.8
204.08656	39.7
204.13869	9.2
205.12102	3.4
206.15413	9.0
207.13857	11.1
212.14264	4.9
223.06282	4.7
227.59981	3.8
230.15428	23.6
231.13867	4.3
232.35442	3.7
248.16478	46.6
266.17508	51.7
284.08994	3.4
368.10986	4.4
410.21738	41.4
420.87180	3.4
428.14120	37.0
428.22870	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54577	2.6
53.03943	9.4
55.01864	9.2
55.05539	2.5
57.03431	6.9
61.02918	7.3
68.64574	2.2
68.99786	5.0
69.03426	33.3
70.06591	4.8
70.77611	4.0
70.77943	3.2
71.04987	6.6
71.65639	2.4
73.00455	2.3
73.02921	14.6
79.05486	4.6
80.51057	2.1
81.03407	30.5
81.07058	6.8
85.02903	91.3
86.09711	2.4
87.00831	37.2
91.03934	2.7
91.05500	3.1
93.07049	2.5
95.08611	4.0
97.02893	68.3
99.04450	18.0
105.01868	56.3
109.02888	31.9
117.01858	6.8
117.07020	14.3
120.08091	4.9
127.03914	100.0
129.01801	4.1
145.04956	55.6
145.06436	17.1
147.02858	2.7
159.02870	29.1
163.03969	3.4
163.07542	26.2
166.08553	2.4
168.06654	2.9
187.07549	6.2
189.03978	2.8
213.03738	2.3
225.99530	2.3
229.84154	2.3
231.04985	18.0
235.07462	2.9
235.10796	5.2
236.01338	2.3
249.06099	2.9
274.17728	3.2
428.18097	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	427.3572
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
51.45514	2.3
55.05305	2.4
55.05511	27.1
57.07064	9.0
59.81758	2.5
60.88673	2.3
64.98116	2.4
67.05490	11.3
69.07062	39.1
71.08604	7.4
71.58719	3.8
79.05486	3.4
81.07061	20.6
83.08617	88.9
83.09116	5.5
86.92662	2.5
91.05469	5.8
93.07021	7.4
95.08595	18.7
97.06512	6.0
97.10159	7.9
105.07017	9.0
107.08595	5.9
109.10130	11.6
119.08553	6.7
121.10126	6.0
131.08577	3.7
133.10150	13.4
135.08023	3.7
135.11722	3.0
145.10062	3.4
147.11699	3.0
155.90247	2.5
157.10115	5.0
159.11725	4.1
159.17467	2.3
161.09615	3.1
163.11113	4.5
164.67393	2.3
171.11720	2.9
187.14700	2.8
187.43208	2.4
217.15866	2.8
242.94260	2.5
248.13989	3.2
251.18202	2.8
253.19496	4.4
271.20560	4.9
391.33575	4.9
409.03458	2.5
409.34671	100.0
409.40176	5.3
410.34787	6.0
427.35809	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	427.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80635	2.8
55.05513	18.3
57.03410	3.4
57.07072	11.8
60.35700	3.1
67.05501	63.5
69.07071	34.2
70.64290	9.8
71.08627	10.1
79.05488	23.5
81.07054	100.0
83.08615	31.1
85.06540	15.0
85.10171	4.3
85.10663	3.0
87.06496	3.2
90.60802	3.1
91.05477	6.5
93.07063	27.5
95.08610	79.6
97.10173	25.2
99.08092	20.2
107.08585	24.3
109.10153	42.2
111.11700	10.9
119.08602	4.5
121.10153	33.8
123.11709	25.7
131.59918	3.1
135.11716	32.8
137.13249	8.4
149.13269	24.4
163.14774	19.5
181.15857	3.3
189.16325	4.2
205.19656	3.5
373.38315	33.1
378.62549	3.4
391.39337	20.4
409.35052	3.5
427.35284	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	427.3571
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03934	2.4
55.05257	2.3
55.05513	31.7
57.07072	11.3
62.22827	1.2
63.47955	1.3
67.05483	7.0
69.07068	30.4
71.08635	6.5
71.58858	2.3
79.05496	3.9
81.07053	16.8
83.04964	2.0
83.08616	70.5
87.34261	1.3
91.05467	7.2
93.07034	9.1
93.07540	1.3
95.08598	16.2
97.06532	4.0
97.10154	8.0
105.07028	6.1
107.08604	7.2
108.64846	1.3
109.10179	10.0
111.08088	2.0
119.08571	6.5
121.10148	5.7
123.08033	1.8
123.11676	1.9
129.07002	1.6
131.08577	2.8
133.10139	13.0
135.11711	3.9
139.14832	1.4
143.08565	1.3
145.10104	3.7
147.11713	3.5
149.09618	2.3
155.08578	2.3
157.10081	4.1
159.11710	5.7
161.09680	2.7
161.13266	1.9
163.11169	4.4
171.11670	2.5
173.06041	1.3
173.13196	2.9
175.14868	2.0
177.12727	3.7
183.11641	1.7
187.14885	1.4
197.13309	1.4
199.14832	3.6
203.12727	1.5
209.13307	2.0
211.14856	2.5
213.16476	1.9
225.16402	1.4
251.17932	5.0
253.19592	5.8
271.20599	5.8
282.85562	1.4
391.33731	3.7
409.34637	100.0
410.35016	4.4
427.30109	1.5
427.35721	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05514	54.2
57.07075	16.5
67.05504	14.8
69.07065	44.3
70.26438	9.5
71.04999	7.1
71.08626	9.8
79.05494	8.6
81.07066	25.0
83.08621	100.0
85.06585	2.7
85.10163	2.6
91.05484	9.3
93.07063	20.0
93.72803	2.3
95.05011	3.9
95.08606	31.3
97.10198	11.7
105.07028	7.4
107.08581	11.0
109.06538	2.9
109.10153	14.9
117.35546	2.3
119.08595	7.9
120.08108	5.2
121.06525	3.6
121.10135	7.2
123.11723	12.2
131.08609	4.2
133.10138	9.9
135.08012	3.0
135.11714	7.5
137.13286	4.7
139.14819	6.3
143.08575	5.0
145.10121	6.4
147.11684	5.8
149.13266	3.2
157.10124	6.4
159.07993	2.7
159.11726	5.3
161.09604	2.9
161.13257	3.8
163.11240	2.5
171.11667	2.6
175.11182	3.7
175.14848	2.9
185.13293	3.6
187.14793	3.1
199.14799	3.2
203.12740	4.4
221.15361	3.2
253.19666	2.7
255.21101	3.2
271.20557	5.0
273.22134	5.2
287.20096	5.1
289.21545	21.1
307.24316	2.6
315.23306	2.6
325.25250	4.6
343.26276	3.2
357.27792	2.4
409.34756	18.1
427.35837	50.3
427.46921	3.1
443.90854	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3569
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03939	1.5
53.97553	0.8
55.05508	28.9
57.07076	10.1
59.07278	0.8
67.05502	7.0
69.07068	31.4
70.02517	2.5
70.02910	2.0
71.08623	7.1
79.05492	4.2
79.95512	0.8
81.07059	14.2
83.04987	1.6
83.08617	71.2
84.08950	1.7
85.10165	1.1
91.05474	6.4
93.07041	6.6
95.08608	17.0
97.06524	4.5
97.10166	7.3
98.21480	1.1
105.07022	7.9
107.08598	6.6
109.10150	9.3
119.08569	6.2
121.06540	2.2
121.10159	6.2
123.08103	1.3
123.11714	1.1
127.03913	1.3
129.07025	1.3
131.08551	3.2
133.10120	11.0
135.11702	2.5
137.09619	1.1
137.13237	0.9
143.08545	1.9
145.10129	4.8
147.08008	1.2
147.11708	3.5
149.09615	1.5
149.13252	1.6
155.08583	3.1
157.10141	3.9
159.11705	4.2
161.09601	3.0
161.13226	1.9
163.11200	3.9
165.12813	1.1
171.11713	2.2
173.13266	2.6
175.11188	2.8
175.14836	1.6
177.12788	2.0
183.11736	2.0
185.13402	1.8
187.14832	1.2
189.12808	2.1
197.13258	2.1
199.14851	2.1
203.12747	1.1
208.97298	1.1
211.14804	2.0
213.16382	1.8
216.71709	1.0
217.15819	1.3
225.16440	1.2
237.16330	1.3
251.18019	4.3
251.63266	0.9
252.18683	1.3
253.19505	5.4
271.20605	6.6
283.78400	1.0
301.25204	1.1
313.28201	1.0
391.33643	3.4
409.34641	100.0
410.35049	6.7
427.27081	1.4
427.35739	25.4
428.36356	1.7
454.78284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.05815	0.4
57.07070	0.8
62.17232	0.3
67.05517	0.3
69.07067	7.2
69.68361	1.1
69.68781	1.0
73.06532	1.9
81.07058	0.3
83.04992	0.5
83.08647	0.4
86.09706	100.0
87.10044	1.1
93.07026	0.4
95.08579	0.4
105.07052	0.5
107.08598	0.4
112.07613	0.9
118.08670	0.4
131.08537	0.3
133.10060	0.3
135.11642	0.4
145.10155	0.3
146.87981	0.3
168.13838	1.1
175.49940	0.3
181.21635	0.3
186.14893	73.8
187.15245	1.6
203.12726	0.3
207.75938	0.3
214.14381	27.9
215.14604	1.0
232.51056	0.4
281.22162	0.5
290.03287	0.3
299.23196	0.4
314.19623	13.7
356.70364	0.3
385.80643	0.3
386.61603	0.3
399.28525	9.0
400.28378	0.4
424.41599	0.3
427.23639	0.5
427.28275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51060	1.4
67.29318	1.6
71.21082	2.0
71.21399	1.7
79.05495	1.8
81.07071	3.8
86.09695	4.1
91.05471	6.7
93.07070	3.2
95.04987	2.1
96.36497	1.9
97.02912	3.2
98.45286	1.6
105.07015	5.3
107.04961	2.3
109.02856	2.8
109.06510	1.6
109.10085	1.4
115.05461	3.0
119.08572	5.4
123.08052	2.3
125.09633	4.8
128.06229	5.2
129.06921	2.1
130.04135	2.4
131.04927	3.8
133.06477	6.3
133.10130	1.8
135.04475	2.3
136.05180	4.9
137.05920	3.8
138.06743	2.0
145.06450	2.0
147.04390	5.3
147.08064	3.2
148.05206	14.4
151.03928	4.2
151.07523	2.6
155.65024	2.1
156.05763	2.0
158.21684	1.9
159.08035	4.2
160.05180	3.5
161.05989	5.8
165.05511	1.7
165.09076	3.0
166.06279	25.2
167.06808	1.6
168.05711	2.8
175.03929	3.3
175.07533	6.7
181.08603	100.0
184.05220	8.4
190.06242	16.4
191.07014	4.9
193.08614	1.9
199.07567	35.3
203.08670	2.5
203.12680	1.9
205.08607	50.3
215.08493	3.3
218.07278	3.4
219.08177	2.4
221.09607	2.6
231.08037	4.0
233.09645	6.6
234.96126	2.2
243.07962	2.9
245.09732	2.3
247.07350	1.8
249.09013	2.5
259.07483	3.0
260.08289	3.5
261.09058	14.5
262.09860	5.1
263.07114	3.1
273.09125	5.3
274.06351	2.1
275.10620	3.2
276.11453	2.9
277.08578	6.3
278.09280	5.9
288.72528	1.7
289.08737	12.7
290.09283	6.9
292.10995	4.1
293.11630	8.8
303.10107	8.6
304.10944	7.3
305.08228	4.7
305.11731	20.5
306.08850	3.5
307.13257	3.8
309.11334	2.7
319.09549	2.7
320.10413	4.3
321.11221	32.7
335.12808	16.1
336.09464	3.6
336.13550	68.4
337.10583	4.1
337.14359	2.3
339.15833	2.4
352.12912	4.1
367.15390	34.7
372.40311	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.9
57.04560	0.3
69.03420	0.7
70.06585	0.7
71.60552	0.7
75.64286	0.3
81.03377	0.4
81.07062	0.4
85.02896	0.8
89.07157	1.6
91.05485	0.6
94.04041	1.2
97.02881	0.8
98.14703	0.4
98.97588	1.0
119.04963	1.1
123.04431	1.6
123.06698	0.7
124.04783	0.4
124.07603	0.5
133.02850	0.4
133.05069	0.6
135.05450	0.6
136.06197	0.4
138.50482	0.3
147.04425	3.6
148.04831	0.4
150.07753	100.0
151.08141	0.6
158.99623	0.4
161.01241	0.6
179.03476	0.8
196.82289	0.4
203.12720	0.5
205.05396	1.3
223.06401	2.0
259.01254	0.4
264.12421	1.1
265.07587	1.8
265.12595	1.3
282.11948	0.5
283.08514	5.4
295.11514	23.3
301.09808	0.8
307.08508	2.7
325.09637	1.5
367.10541	1.1
387.45587	0.4
427.13452	8.1
427.19214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1383
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
50.97238	0.6
51.34504	0.6
53.03945	0.6
56.96567	8.1
69.03429	1.2
70.06573	2.0
71.60466	1.2
73.71325	0.6
81.03410	1.4
81.07045	0.8
82.80167	0.7
83.04994	0.7
85.02912	3.5
91.05492	1.5
93.07024	0.9
95.08647	0.7
97.02866	1.6
98.97586	7.4
99.04475	0.7
105.01847	0.7
106.65227	0.6
109.02859	1.4
111.04459	0.7
116.98623	4.1
119.04940	0.9
120.08060	0.8
123.66299	0.7
127.03942	1.8
128.98615	2.1
133.02866	1.3
134.99637	1.9
139.00659	1.9
145.02771	0.8
146.99702	0.8
147.04391	2.3
149.01244	0.7
157.01749	3.1
158.99771	0.8
159.03165	0.8
161.01173	0.8
161.09590	0.8
169.01715	0.9
177.00706	1.7
177.05446	1.5
179.03429	15.2
193.05409	4.3
195.03189	1.2
199.02734	0.9
203.12718	1.3
205.05365	3.7
207.03374	1.3
211.06442	7.7
219.01779	2.9
221.04845	3.1
223.06427	28.7
224.06606	0.9
225.04306	2.3
229.07426	1.5
229.15524	0.8
234.07928	0.7
237.02795	6.2
241.07480	13.1
246.08022	1.4
247.06407	6.6
255.03909	0.7
260.04492	0.8
264.09171	0.8
265.07413	10.4
271.08569	1.4
283.08456	13.8
284.09134	0.8
288.09052	1.0
295.05768	0.8
301.09702	0.9
306.10556	1.1
307.08575	2.4
367.10651	35.4
385.11624	2.9
422.76321	0.8
427.13116	100.0
428.13641	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	427.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65712	3.3
55.05502	7.2
55.88381	3.4
56.96569	30.0
57.03432	4.9
61.02941	4.1
67.05501	3.7
69.03451	18.5
69.07047	3.6
70.06590	5.6
71.58997	5.2
73.02921	3.8
81.03443	7.9
81.07046	3.7
83.05004	5.6
85.02922	35.4
91.05497	8.4
95.04979	13.2
97.02898	15.5
98.97601	30.9
99.04465	3.8
105.03423	7.3
105.07045	7.7
107.08617	4.2
109.02874	7.4
110.97603	4.2
116.98622	23.2
117.07030	6.9
119.08585	6.5
120.08100	12.6
121.10157	3.5
124.07619	4.4
127.03996	7.7
128.98590	6.2
131.04961	5.1
131.08606	6.3
133.06548	3.6
133.10136	3.8
134.99654	10.1
136.07602	5.8
145.02943	4.3
145.06548	24.0
145.10158	3.3
146.99696	6.1
147.08093	13.1
149.09653	4.8
158.99727	3.6
159.08037	6.4
161.01253	9.1
161.09676	6.1
164.07158	3.9
169.06548	4.0
175.07501	7.9
177.00745	9.7
177.05536	11.7
179.02132	4.3
179.03532	7.6
187.07571	51.2
191.85826	3.2
203.12692	3.2
205.05347	17.8
205.08681	7.1
217.08655	6.4
219.01834	10.4
221.08412	3.6
223.06441	37.0
237.02766	18.9
239.09604	14.7
241.07790	4.0
247.06474	8.8
247.09737	8.0
247.17099	7.0
257.10721	5.2
265.07498	29.3
265.10910	18.7
266.17407	3.6
270.05588	3.4
280.21469	3.5
281.10568	4.1
283.08591	100.0
283.12112	11.1
284.08954	4.0
301.09705	8.5
301.13202	9.6
307.08591	51.9
307.12064	6.5
325.09698	31.1
325.13248	6.4
339.90079	3.2
343.14587	4.0
348.11249	6.6
367.10706	14.5
369.94492	3.1
427.13870	94.2
428.13876	4.0
445.17419	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	427.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59150	0.4
53.03948	2.1
55.01867	1.8
55.05509	0.5
56.96552	0.7
57.03433	1.4
61.02915	1.3
67.05483	1.2
67.26777	0.3
68.99807	0.6
69.03431	4.8
69.07069	0.5
70.06583	1.3
70.29368	0.4
71.04987	1.3
72.08157	0.4
72.91260	0.4
73.02915	1.2
79.05496	0.5
79.53938	0.4
81.03427	7.1
81.07064	1.4
85.02911	12.9
86.09719	0.9
87.00843	4.4
89.03928	0.8
90.71854	0.4
91.03944	0.7
91.05499	0.8
91.21049	0.4
93.07047	1.0
95.08598	0.9
97.02901	7.2
98.20762	0.7
98.97594	0.9
99.04474	2.8
105.01881	4.0
105.03395	1.0
105.07030	0.8
107.04975	0.5
107.08587	0.6
109.02143	0.4
109.02888	7.9
111.04452	0.7
116.07098	0.6
116.98602	0.7
117.01848	0.6
117.03400	1.1
119.04965	0.5
120.08092	0.4
121.06471	0.6
123.04418	3.1
127.03920	11.6
133.02863	8.2
133.10173	0.9
134.99615	0.6
135.04395	2.3
145.02831	0.8
145.04980	4.7
145.10184	0.4
147.04413	0.8
151.03908	0.5
159.02899	3.8
161.02365	0.8
163.03865	0.5
177.05482	1.8
179.03407	100.0
180.03746	1.8
191.07114	0.4
203.12772	1.2
213.03969	0.7
223.06491	0.6
231.05048	1.7
237.02855	0.4
249.95634	0.4
265.07529	0.8
283.08838	0.6
307.08710	0.7
367.10681	0.6
412.05618	0.4
427.12570	3.3
427.18805	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	427.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75436	0.3
53.03957	1.2
53.45858	0.3
55.01877	0.9
55.05517	0.6
56.96561	1.5
57.03439	0.9
61.02933	0.5
68.99792	0.5
69.03433	4.5
69.07079	0.3
70.06607	0.9
71.04999	0.7
71.58917	0.5
72.66245	0.2
73.02930	1.0
79.05534	0.4
81.03422	4.5
81.07060	0.7
85.02908	7.8
86.09726	0.7
87.00843	2.2
87.04494	0.6
89.03922	0.5
91.05495	0.9
93.07068	0.8
95.04973	0.3
95.07339	0.3
95.08619	0.3
97.02903	2.6
97.10186	0.5
98.97607	1.4
99.04464	1.8
103.03976	0.3
105.01868	1.9
105.03394	0.6
105.07040	0.5
109.02888	5.1
115.03912	0.4
116.98627	1.3
117.01842	0.5
119.08556	0.5
121.04045	0.3
123.04436	9.2
124.04717	0.3
124.07593	1.6
127.03920	7.8
129.01830	0.3
133.02863	8.5
133.03812	0.6
133.10197	0.3
134.99663	0.3
135.04456	1.9
145.02818	0.3
145.04971	2.0
147.02898	0.6
151.03928	3.5
153.35367	0.3
157.01732	0.4
158.99738	0.5
159.02878	2.6
161.01193	0.4
163.03935	0.4
177.00723	0.5
177.05449	0.8
179.03404	100.0
180.03766	2.0
189.04036	0.5
193.05289	0.5
199.02702	0.4
203.12769	0.4
205.05453	0.8
211.06415	1.3
213.03922	0.3
219.01785	0.6
221.04538	0.6
223.06410	3.8
231.04953	1.1
237.02802	0.7
241.07462	1.4
247.06438	0.9
247.14673	1.4
247.16815	0.5
251.26659	0.3
261.09943	2.3
264.12219	0.6
265.07547	1.9
265.12656	1.4
265.15506	1.3
268.74179	0.3
269.10336	0.4
283.08511	3.9
301.09781	0.3
307.08548	0.6
325.09509	0.5
335.50763	0.3
345.11844	0.3
367.10608	4.4
427.13132	18.0
428.13315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01867	3.6
55.05495	3.1
56.05041	2.3
56.96567	3.3
57.03435	2.5
61.02919	2.3
62.06083	5.0
69.03442	16.0
69.64538	14.6
70.06585	8.4
71.04984	6.7
72.08135	3.5
73.02916	3.9
81.03416	13.6
81.07037	4.3
81.38570	1.8
83.04969	3.5
83.81200	2.4
84.08134	3.5
85.02908	64.9
85.06532	3.5
86.09717	5.7
86.15178	2.2
91.05481	3.3
93.07032	4.3
95.05014	2.4
95.06097	18.6
97.02899	35.4
98.97594	3.2
99.04469	37.5
102.09226	2.7
103.03945	77.0
105.07055	4.5
107.08571	2.0
109.02878	17.5
110.07133	3.1
113.07136	13.1
115.03956	2.5
116.98642	3.6
120.08109	4.4
121.06441	2.6
122.06048	2.6
127.03923	100.0
129.01656	1.9
129.10170	2.3
133.10135	4.2
136.07649	2.5
145.04964	66.2
146.12495	2.0
147.04408	3.4
150.07713	4.8
163.03929	3.3
163.06023	60.9
177.05450	5.9
179.03421	4.0
185.11761	2.2
187.06020	5.2
223.06465	3.3
237.02670	2.5
264.15985	2.5
265.07382	3.3
271.08124	10.6
283.08597	4.4
289.09216	10.1
307.10367	11.9
323.19656	6.6
367.10666	4.4
382.26889	17.6
426.11987	2.2
426.26010	3.8
427.12756	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	425.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.5
57.06786	3.0
57.07073	60.5
65.03923	2.9
67.05504	59.7
69.07064	21.9
70.78563	3.5
70.78944	3.8
71.08628	46.0
79.05491	26.2
81.07053	98.6
83.08618	28.5
85.06537	13.6
85.10171	21.7
91.05490	11.5
93.07046	25.4
95.04943	3.7
95.08604	100.0
97.10164	17.9
97.64114	2.4
99.08060	6.3
105.07049	12.4
107.08601	23.9
109.10151	31.6
111.11670	6.8
119.08557	9.8
121.10146	31.8
123.11709	14.8
133.10149	11.0
135.11676	10.1
137.13231	7.5
147.11676	7.4
149.13202	4.2
151.14813	2.6
153.63354	2.1
161.13239	8.0
163.14807	68.0
175.14856	3.2
181.15871	11.8
184.07315	5.4
189.16333	6.2
193.19550	3.2
197.19064	3.5
199.16858	6.2
211.20593	38.1
220.75301	2.2
226.57388	2.6
296.99438	2.4
371.36786	32.9
389.37616	7.5
407.38541	6.9
427.54156	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
55.61300	0.4
57.03437	0.6
61.02941	0.8
65.05782	0.3
67.05515	0.4
69.03442	1.8
70.06583	0.5
70.07314	0.4
70.07648	1.6
70.08844	0.4
79.05478	0.8
81.03407	1.6
81.07060	0.7
85.02417	0.6
85.02903	5.2
87.04469	0.5
93.10803	0.3
94.06580	0.5
95.04948	0.4
96.08138	1.5
97.02888	2.1
99.04488	0.4
105.03416	0.6
106.82972	0.5
109.02869	1.4
119.04962	0.4
123.04426	79.7
123.06823	1.7
124.04790	0.7
124.07588	31.5
127.03942	1.2
137.06006	0.4
141.07816	0.4
142.08630	13.1
145.04959	0.9
147.04437	0.9
160.07574	1.4
161.06007	0.5
177.05421	0.6
178.08702	0.7
179.03380	5.6
180.29628	0.3
218.08252	0.5
223.06418	0.8
226.55293	0.4
236.12810	0.7
237.03192	0.4
246.11261	16.2
257.50153	0.5
264.12305	100.0
265.07541	0.7
265.12674	2.5
283.08484	1.5
285.14917	0.4
307.08414	0.8
325.09610	0.5
337.72186	0.5
384.39606	0.4
426.14456	0.5
427.13382	2.8
449.58511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.4
57.07076	11.3
67.05510	27.5
68.91488	4.9
69.07071	33.7
70.28658	11.2
70.29053	11.9
79.05504	15.1
81.07059	57.6
83.08626	28.3
91.05479	14.8
93.07047	48.1
95.08613	100.0
97.10183	12.2
105.07042	37.5
107.08597	75.7
109.10167	70.0
119.08602	43.3
121.10154	51.2
123.11685	27.0
125.09644	5.8
131.08575	9.4
133.10149	35.8
135.11688	32.6
137.13252	15.2
145.10124	12.6
147.11723	28.2
149.13264	37.4
151.14867	6.9
159.11624	5.9
161.13264	24.2
163.14836	23.9
165.09175	10.9
173.13275	9.2
175.14836	22.6
177.16376	15.2
179.14293	7.6
187.14859	9.2
189.16408	17.1
191.17969	59.1
195.15027	4.8
203.17957	37.5
205.19495	14.3
208.66936	5.8
215.17970	12.1
217.19531	45.6
229.19505	9.8
245.22565	11.9
287.20139	13.8
407.36960	12.2
425.26462	11.5
425.38437	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50218	1.2
55.05508	23.3
56.78909	1.3
57.07068	11.4
62.28230	1.3
67.05499	10.2
69.06716	2.9
69.07067	32.8
71.08623	4.0
71.58215	2.4
79.05494	6.4
81.07057	25.5
81.51883	1.3
83.08615	57.8
91.05469	10.2
93.07042	15.9
95.04929	1.7
95.08602	37.0
95.09160	2.6
97.06562	1.7
97.10169	8.5
100.37579	1.3
102.81491	1.4
105.07027	21.8
107.08591	28.9
109.10154	27.5
111.08092	6.2
111.11718	4.1
117.06999	2.9
119.08576	25.5
121.06528	3.0
121.10146	21.6
121.29871	1.5
123.08044	2.0
123.11707	15.8
131.08522	3.5
133.06480	2.2
133.10117	28.2
135.11708	24.1
137.13252	4.8
143.08537	1.8
145.10136	6.4
147.08058	1.7
147.11682	29.0
149.13266	8.5
151.11240	4.8
157.10052	1.6
159.08087	5.2
159.11697	6.5
161.09602	2.9
161.13245	13.8
163.14809	6.6
171.11690	2.3
173.09706	2.7
173.13245	3.9
175.11176	39.0
175.14737	7.1
177.16418	6.1
180.52377	1.5
185.13248	2.2
187.14807	3.6
189.16356	7.4
191.17938	12.2
201.12708	7.6
201.16368	4.2
203.17979	27.2
205.19508	6.9
207.17464	6.0
215.14256	3.6
215.17970	5.3
217.19508	22.1
221.19054	3.6
229.19525	3.7
231.21156	3.4
233.15424	2.5
233.19064	2.3
241.19563	1.7
243.21112	2.0
245.15411	2.4
245.22740	2.3
251.18124	1.9
257.22540	1.8
269.19028	1.9
271.24228	4.9
287.20047	100.0
288.20374	7.2
297.25949	1.7
301.25217	1.8
315.23245	2.0
341.24792	3.4
397.53735	1.9
399.61414	1.7
402.41812	1.7
407.36707	10.0
425.17627	1.8
425.26944	7.3
425.33563	9.3
425.38550	34.4
426.26590	2.0
426.38394	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05499	4.1
57.07068	2.9
67.05499	14.9
68.68651	1.6
69.07063	16.5
69.27274	3.5
69.27679	15.6
69.46273	1.4
79.05511	4.0
81.07059	30.0
83.08642	2.8
84.29987	1.9
91.05476	4.6
93.07041	17.5
95.08614	55.3
97.10175	4.1
105.07038	9.4
107.08594	27.5
109.09450	3.2
109.10152	42.4
111.11724	5.4
119.08583	17.4
121.10148	33.2
121.11003	1.8
123.11704	19.1
129.91153	1.9
131.08583	3.6
133.10135	16.0
135.11679	19.5
137.13242	10.8
145.10101	7.0
147.11702	13.9
149.13240	12.1
159.11700	5.7
161.13286	12.0
163.14807	11.9
173.13263	5.9
175.14787	10.2
177.16440	8.8
179.14310	4.5
187.14832	4.5
189.16380	10.5
191.17938	21.5
196.58188	1.6
201.16374	5.2
203.17961	9.6
205.19504	11.3
207.17511	6.1
215.17963	8.9
217.19630	9.7
219.17390	2.2
229.19533	6.2
231.21185	2.4
233.18991	4.4
241.19615	1.6
243.21072	4.7
245.22687	12.5
247.20503	12.8
257.22614	2.8
261.22150	3.8
271.24283	5.9
273.22299	1.9
283.24036	1.9
285.25781	3.0
297.25735	3.4
329.28531	1.9
407.36752	23.0
424.84357	1.9
425.37772	100.0
426.38132	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05510	7.2
56.53753	2.6
57.07077	4.9
62.80248	2.9
67.05507	17.4
69.07059	21.0
79.05509	7.0
81.07056	42.6
83.08633	7.3
91.05489	9.4
93.07057	24.0
95.08615	62.8
97.10178	6.0
105.07036	12.7
107.08598	42.9
109.10163	43.0
111.11751	4.5
119.08592	21.6
121.10155	38.1
123.11723	22.4
131.08572	3.5
133.10123	25.1
135.11696	24.1
137.13278	11.4
145.10185	8.5
147.11673	16.8
149.13245	15.9
151.14848	2.8
153.42999	3.0
159.11719	10.6
160.68022	3.3
161.13263	15.1
163.14859	17.1
173.13289	10.7
175.14836	12.3
176.40536	2.8
177.16431	13.4
179.14371	3.8
179.18007	3.3
185.13425	3.6
187.14905	8.1
189.16425	11.0
191.17972	8.0
191.74362	2.8
201.16432	8.6
203.17937	10.4
205.19563	6.6
207.17500	5.6
215.18030	5.5
217.19653	17.3
219.07800	3.4
229.19440	5.1
229.21877	2.9
231.21088	5.2
243.21057	14.2
245.22704	12.3
257.22668	4.4
259.24243	4.9
261.22131	6.3
269.22687	10.5
271.24243	11.3
283.24164	6.2
285.25797	5.2
311.27332	4.4
329.28516	5.8
407.36719	27.7
425.37744	100.0
426.37772	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	425.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97633	2.8
53.03951	3.1
53.49224	2.6
55.05509	31.5
57.07067	11.3
60.62209	3.1
67.05502	13.9
69.07065	32.6
71.08633	5.7
71.58788	4.2
74.20034	2.6
79.05490	5.7
81.07061	29.9
83.08620	70.2
85.06558	3.3
89.18531	2.8
91.05474	13.2
92.35769	2.6
93.07050	20.4
95.04984	3.1
95.08607	36.3
97.06485	3.2
97.10162	9.8
105.07043	19.6
107.08596	28.4
109.10162	31.1
110.85509	2.8
111.08086	7.9
111.11740	7.0
119.08575	28.1
121.06471	6.2
121.10132	22.3
123.11729	20.4
131.08549	4.0
133.10155	32.2
135.11707	30.6
137.13255	7.2
139.85466	2.9
145.10104	10.5
145.20938	3.0
147.08014	3.3
147.11674	32.2
149.13264	10.0
151.11221	8.1
157.10081	4.0
159.08087	5.0
159.11656	6.4
161.13268	15.4
163.14809	7.3
173.13271	4.4
175.11172	58.6
175.12552	5.2
175.14754	7.7
177.16350	3.4
183.11713	3.3
185.13170	3.5
189.16409	8.0
191.18008	6.8
201.12683	8.3
201.16516	4.3
203.17947	37.6
205.19574	7.9
207.17412	6.1
215.17940	6.2
217.19525	17.3
221.19081	5.9
233.15443	4.0
245.15279	3.1
245.22649	3.8
269.19315	3.5
269.22388	3.4
271.24292	3.7
287.20050	100.0
288.20517	3.9
341.24820	5.9
407.37112	5.0
425.17603	3.6
425.33395	9.7
425.38574	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	425.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	29.6
57.07087	21.7
67.05492	23.7
69.07068	72.4
69.79578	100.0
79.05487	16.2
81.07069	48.0
83.08627	77.9
91.05473	31.0
92.71248	15.2
93.07044	64.5
94.00360	15.5
95.08614	57.4
105.07073	16.5
105.84841	16.6
107.08601	73.2
109.10184	41.2
121.06488	16.0
121.10150	35.5
123.56483	16.3
133.10176	26.8
135.07965	15.5
135.11736	32.7
137.13336	14.3
147.11765	15.7
149.13335	15.4
159.08098	19.4
164.79008	13.8
177.16394	39.9
191.17915	18.6
192.58093	15.4
203.18024	19.0
241.19417	22.7
247.16908	27.4
248.05673	15.4
255.39932	17.5
267.35727	16.5
287.20029	71.7
315.70340	14.8
407.37097	20.3
425.33981	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2662
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
54.26586	1.9
55.05500	10.2
56.22847	2.0
57.03433	13.0
57.07079	29.8
67.05501	8.5
69.07067	10.9
70.42878	6.7
70.43273	4.6
71.08632	25.2
79.05504	2.3
81.07053	12.8
83.08617	8.9
85.10185	15.9
89.05985	2.9
91.05459	2.0
93.07074	3.4
95.08607	20.7
97.10165	7.0
107.08620	3.3
109.10142	9.2
113.00018	70.7
121.10080	2.6
123.11689	4.4
146.31979	2.3
146.59468	2.2
147.11690	2.7
151.42349	2.3
153.47768	2.4
169.02620	84.7
169.04054	5.0
180.14664	4.3
187.03700	3.1
234.08293	2.0
287.80753	2.7
290.07346	2.6
294.96463	2.3
313.27359	100.0
314.27646	6.7
325.21432	3.3
425.26617	31.1
425.32458	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	425.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	5.9
61.06253	1.2
67.05489	3.5
69.03416	1.5
69.07057	1.3
69.95728	7.3
69.97934	1.2
78.29490	1.2
79.05476	3.5
81.03428	2.8
81.07043	5.0
83.04953	2.1
83.08612	1.5
85.02892	4.1
85.06541	2.8
89.03909	1.9
91.05471	4.3
93.06987	2.8
94.04176	4.5
95.08573	2.9
97.02885	2.8
98.21390	2.4
102.70827	1.2
103.05444	2.2
105.07030	9.3
107.08583	2.0
109.02869	3.2
109.06505	2.7
109.10132	2.6
111.04432	1.6
111.52921	1.3
115.05460	2.1
117.03375	6.7
119.08606	1.9
121.06484	2.2
121.10144	1.8
122.03654	9.3
128.06197	1.9
131.04990	1.3
133.06483	3.5
133.10138	3.4
135.11713	1.4
137.05978	100.0
143.04874	1.2
145.02817	14.9
145.10074	1.5
146.03668	2.3
147.04424	1.6
149.05930	2.9
161.05989	35.4
162.06715	5.7
163.03947	1.8
175.07584	1.9
177.05478	21.9
178.05774	1.4
184.05208	2.9
187.07532	2.5
191.08540	2.2
192.09387	1.6
199.07542	21.7
202.07771	9.2
203.08553	16.5
203.17833	1.6
219.08046	4.9
220.08838	5.6
230.07281	2.2
231.08060	22.6
232.08841	4.5
239.68332	1.2
247.07436	3.9
248.08321	10.5
249.09135	2.2
259.07480	16.0
260.08331	11.7
263.10608	10.2
275.06891	2.0
276.07883	9.4
277.08432	4.8
291.10147	65.3
292.10815	6.0
293.08194	1.7
295.13181	3.0
308.10300	1.8
313.84528	1.2
323.12778	29.1
365.13757	1.5
408.26572	1.4
425.10696	2.1
425.33899	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01868	2.2
55.05509	11.2
57.03456	2.3
57.07070	9.8
65.03931	2.2
67.05498	17.1
69.03424	2.6
69.07071	12.1
70.18365	2.4
70.18754	3.2
71.04994	1.9
71.08627	3.3
74.21748	1.3
79.05473	7.8
81.03412	1.8
81.07059	21.6
83.08622	19.3
85.06527	1.8
91.05491	7.4
93.07022	10.0
94.04187	4.1
95.04967	2.9
95.08598	15.5
97.02900	14.5
97.10162	4.4
99.04452	6.9
103.05460	1.8
104.63046	1.4
105.07021	12.8
107.05005	1.4
107.08588	6.1
109.02870	3.2
109.06526	3.9
109.10155	10.1
112.80875	1.3
115.05427	2.6
119.08588	6.0
121.10149	5.1
122.03645	9.7
123.11715	3.6
127.03916	5.6
128.06154	1.5
129.06992	1.8
131.08615	2.2
133.06477	4.8
133.10120	5.0
135.11711	3.2
137.05971	100.0
137.13239	1.8
138.06329	1.7
143.08498	2.1
145.04942	3.5
146.03607	2.7
147.11696	3.4
149.13278	3.6
155.08488	1.5
159.11632	1.8
161.05968	40.6
161.09612	1.3
161.13278	1.9
163.14877	1.9
173.09555	1.3
175.11186	3.7
184.05190	1.7
191.08542	1.5
199.07515	24.1
200.07886	1.5
202.07765	9.4
203.08560	21.4
203.18004	2.1
205.06537	2.0
219.08073	5.7
220.08881	5.4
223.42465	1.5
225.60515	1.3
230.07245	1.8
231.08026	17.9
231.54366	1.4
232.08798	7.0
245.09445	1.5
245.22688	2.1
247.07602	3.7
248.08284	13.9
259.07526	16.0
260.08264	9.9
261.09055	1.5
263.10626	12.0
263.23727	6.2
265.08539	2.1
275.07056	2.6
275.11017	1.5
276.07886	8.4
277.08603	4.0
287.20065	6.3
291.10138	65.8
292.10834	7.4
293.08270	1.7
295.13419	3.4
308.10233	2.3
323.08966	1.0
323.12744	30.2
393.17053	1.5
407.32947	8.6
425.33899	14.1
444.05017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01860	0.7
55.05516	2.5
57.03431	0.9
57.07069	1.2
61.02917	0.5
65.03925	0.5
67.05502	3.9
69.03440	3.9
69.07071	4.0
71.05001	2.5
71.60075	0.6
73.02920	0.6
79.05495	2.4
81.03416	2.9
81.07057	10.2
83.04973	2.6
83.08612	1.5
85.02428	0.7
85.02909	8.3
85.06522	0.6
87.00805	1.3
87.04443	0.6
89.03920	1.7
91.05468	2.8
93.07053	5.4
95.04963	1.1
95.08608	10.8
97.02888	3.6
97.06519	1.7
99.04447	0.7
100.11256	1.3
105.07044	3.7
107.08595	5.9
109.02884	3.3
109.06461	1.0
109.10157	5.8
110.82813	0.5
111.04424	2.1
111.11731	0.8
113.06056	0.5
115.03912	1.9
115.05449	0.5
117.03368	5.9
117.07031	1.1
119.08575	5.9
120.08868	0.5
121.06525	1.0
121.10133	6.0
123.04482	0.6
123.08109	1.0
123.11679	5.4
125.09637	1.0
127.03902	2.7
129.01796	0.6
129.05458	1.3
129.06973	0.5
131.08553	1.7
133.06540	0.5
133.10152	4.2
135.04448	0.8
135.08052	0.7
135.11693	3.0
137.05989	0.6
137.09581	0.5
137.13258	2.8
139.03845	0.5
139.11162	0.5
142.07765	0.7
143.08548	1.3
145.01756	0.9
145.02843	12.5
145.10117	3.5
146.10448	0.5
147.04338	0.5
147.06476	0.7
147.11681	3.7
149.05981	2.1
149.09604	0.6
149.13248	1.9
157.10127	1.1
159.08052	0.8
159.11693	2.1
161.09599	1.1
161.13289	3.1
161.76112	0.4
163.11217	0.6
163.14787	1.8
165.09096	1.2
169.10069	1.0
171.11821	0.7
173.09441	0.6
173.13254	1.5
174.13699	0.5
175.14891	2.9
177.05472	24.5
177.16380	2.4
178.05795	0.9
179.07040	1.1
181.08653	0.4
183.11725	0.8
185.09663	0.5
185.13301	0.6
186.05368	0.8
187.11137	0.8
187.14836	1.9
189.16365	2.5
191.17934	3.7
199.14845	0.7
201.16461	1.2
203.14330	0.8
203.18011	1.4
205.15878	0.8
209.13374	0.5
215.17928	0.8
217.16080	1.0
217.19576	1.8
219.17401	1.1
225.07608	1.1
227.05231	0.7
231.17355	0.7
235.20609	0.7
243.08684	0.7
245.06509	0.6
245.15286	0.7
257.22711	0.5
271.04156	0.7
279.10843	0.7
285.18509	1.6
289.05191	1.8
303.19604	1.2
339.17792	0.8
381.18884	5.6
389.19461	1.2
407.20547	3.1
407.32483	0.6
425.17786	100.0
426.18170	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58181	0.3
53.03941	1.1
55.05503	0.8
57.03437	0.9
58.84524	0.3
59.97164	0.4
61.02918	0.6
62.71266	0.4
63.02365	0.7
64.16984	0.4
67.01850	0.8
67.05489	1.5
68.99796	1.0
69.03117	0.5
69.03426	4.7
69.07053	0.9
70.78151	1.1
70.88520	0.4
71.04989	2.3
73.02911	0.4
75.04497	0.4
78.04750	0.4
79.05478	1.2
80.53345	0.4
81.03416	5.5
81.07034	2.1
83.04973	1.3
85.02898	7.9
87.00806	1.2
87.04458	0.4
89.03911	7.3
91.05473	1.2
93.07022	1.7
94.05135	0.4
95.04951	0.6
95.08596	3.1
97.02881	3.9
97.06511	0.5
99.04433	1.4
105.07014	1.9
106.04117	0.5
107.08579	2.1
109.02867	7.2
109.06470	0.6
109.10123	1.4
111.04408	1.3
115.03924	1.0
115.28576	0.4
117.03369	19.1
118.03723	0.5
119.08579	2.4
121.10108	2.1
123.11730	0.5
127.03914	5.5
129.01845	1.2
129.05466	2.0
131.08565	1.2
131.78743	0.4
133.10115	1.7
134.03593	2.1
135.04422	1.7
135.11690	1.3
137.05936	0.5
145.02832	51.3
145.10141	1.6
146.03152	1.2
147.06519	0.4
147.11703	1.0
149.05972	6.1
149.13246	1.1
157.04991	0.5
158.05905	0.4
159.11684	0.8
161.13257	0.5
163.03918	1.2
163.14789	1.1
165.09088	0.9
171.11589	0.5
174.13707	0.5
175.14868	1.1
177.05457	100.0
177.16489	0.9
178.05782	3.1
186.05475	2.2
187.14833	0.8
189.16348	1.1
191.17924	1.0
193.08746	0.4
194.11703	0.5
195.06490	2.3
203.14310	0.4
203.17944	2.7
203.95413	0.5
205.04956	1.0
215.18091	0.4
221.15590	0.5
225.07579	1.8
227.05305	0.5
279.10770	0.8
290.99762	0.4
321.09708	3.1
339.17712	1.5
351.12393	0.4
378.18744	0.5
379.33090	0.5
381.18811	11.2
407.09766	1.1
407.27911	0.7
407.33005	0.8
425.10959	8.7
425.17740	61.1
425.33740	3.6
426.11639	0.7
426.18036	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
67.05489	0.7
69.03411	1.3
69.07065	0.6
71.04984	1.3
79.05479	0.4
81.03410	1.5
81.07034	1.1
83.04974	0.7
85.02902	3.0
89.03910	1.4
91.05473	0.8
93.05421	0.3
93.07026	0.7
95.04990	0.4
95.08577	1.6
97.02888	1.0
105.07031	0.9
107.08591	1.3
109.02879	1.0
109.10150	0.9
111.04424	0.9
115.03936	0.7
117.03366	3.4
119.08556	1.1
121.10125	1.1
127.00047	0.5
127.03918	1.5
129.05469	0.5
131.08575	0.8
133.10130	1.4
137.05957	0.4
137.24348	0.4
145.02840	7.1
145.10117	1.0
147.07936	0.4
147.11697	0.8
149.05975	1.1
149.13234	0.5
161.13246	0.6
163.14803	0.5
173.13316	0.5
175.14856	0.6
177.05466	15.7
177.16435	0.5
178.05814	0.5
187.14868	0.6
189.16380	0.7
191.14310	0.5
201.16464	0.6
203.18024	0.9
212.66293	0.4
219.13905	0.3
221.15422	0.5
221.41447	0.3
225.07550	0.4
227.05299	0.6
229.55200	0.4
245.06403	0.3
271.04309	0.8
279.10614	0.4
289.05325	0.6
321.09793	0.7
321.16605	0.5
339.17786	1.8
381.18829	17.9
382.19003	0.3
403.56042	0.3
407.33191	0.6
425.17789	100.0
426.18112	2.5
431.65768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
55.05503	6.0
57.03418	2.2
57.07077	2.6
67.05517	10.1
69.03432	11.9
69.07061	11.9
69.42613	1.7
70.73714	5.5
71.04984	4.9
79.05482	8.2
81.03403	5.2
81.07060	22.1
83.04974	5.5
83.08579	4.1
85.02924	18.1
85.06554	2.2
85.82973	1.8
87.00812	5.3
91.05470	7.0
93.07043	15.9
95.04963	4.3
95.08614	32.4
97.02889	9.5
99.04433	3.5
105.01804	1.9
105.07038	15.0
107.04987	2.3
107.08605	18.1
109.02884	3.1
109.06516	1.9
109.10166	8.9
111.04471	2.6
111.11744	1.9
115.03902	6.0
117.03410	1.8
117.07016	3.7
118.72546	2.3
119.01958	2.4
119.08603	12.4
121.10139	19.5
123.04401	3.0
123.08052	5.1
123.11716	22.1
127.03886	3.5
129.01854	2.2
129.05486	2.6
129.06990	3.3
131.08566	9.5
133.10190	9.7
133.33612	1.9
135.08060	2.2
135.11703	4.9
137.09550	2.3
143.01964	2.0
143.08545	3.1
145.02853	7.6
145.10144	11.1
147.06514	1.6
147.07994	4.3
147.11676	6.2
149.09584	1.9
149.13284	5.0
157.10114	5.8
159.11684	9.0
161.09622	3.3
161.13287	5.2
163.07568	2.1
163.14804	5.5
165.09120	8.0
169.10143	2.1
171.11676	3.9
173.13242	6.0
175.11168	2.8
175.14838	14.0
177.05444	11.8
177.12769	2.6
177.16411	8.0
181.08607	2.4
183.11688	3.9
185.13272	3.4
187.11212	2.4
187.14774	5.0
189.12671	2.6
189.16405	6.0
191.14323	2.5
191.17957	3.2
197.13243	2.5
199.14787	3.8
201.03851	2.3
201.12819	2.1
201.16464	2.9
203.14227	2.1
203.17815	2.0
205.15860	4.6
211.61066	1.9
215.14423	2.2
217.15895	6.0
219.17517	4.2
227.05455	2.2
227.14247	2.3
229.15906	3.5
231.17456	3.7
241.16028	2.2
243.04781	8.8
245.06294	6.8
257.19104	2.5
267.17462	2.8
271.04224	1.9
279.10800	2.6
285.18558	9.2
285.21350	1.9
287.03748	82.8
289.02014	2.2
289.05304	70.4
303.19589	8.0
381.18832	6.6
389.19614	5.5
407.20743	20.4
425.17709	100.0
425.34055	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	425.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.05501	0.7
67.01834	0.5
67.05479	1.6
69.03423	3.4
69.07057	0.9
70.37479	1.1
70.37878	0.9
71.04972	1.5
79.05482	1.2
81.03416	4.2
81.07053	7.7
85.02910	3.3
87.00819	0.8
89.03913	4.1
90.56478	0.5
91.05473	2.2
93.07021	2.0
95.04980	1.0
95.08610	2.7
97.02894	3.4
99.04434	1.4
101.00852	1.2
105.07013	1.6
107.08583	1.6
109.02889	5.3
109.10158	3.5
111.04449	0.6
117.03375	14.4
117.06999	0.5
118.03644	0.5
119.01947	2.6
119.08545	1.7
121.10105	2.1
121.85879	0.5
123.11679	1.9
127.03912	4.3
129.06926	0.6
131.08548	1.2
133.10167	1.3
134.03587	0.8
134.94740	0.5
135.04393	1.7
135.11649	0.9
137.03021	0.6
137.13275	0.6
143.01877	1.6
143.08617	0.9
145.02837	28.7
145.10098	1.4
146.03262	0.8
147.11671	0.9
149.05983	4.8
149.13203	0.7
157.03487	1.1
159.11646	1.5
161.02917	2.3
161.13338	0.6
163.03894	1.7
173.13205	0.6
175.04494	1.8
175.14885	0.8
177.05466	64.4
178.05856	2.7
186.05461	1.1
187.00876	1.8
187.14815	1.0
195.06497	0.6
203.05273	1.9
227.05304	0.7
229.01622	0.9
245.06313	7.8
269.34030	0.5
271.04239	1.8
289.05295	63.3
290.05670	0.9
301.21545	0.9
321.09781	1.6
365.47430	0.5
381.18732	5.3
407.33118	1.5
425.11185	4.6
425.17801	100.0
425.24683	6.8
425.33685	6.0
426.10977	0.8
426.18076	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	425.1423
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
50.14703	0.4
56.96558	0.7
69.03390	0.4
70.06602	0.6
71.35712	1.0
85.02925	0.6
91.05476	1.6
98.97587	1.0
127.03942	0.7
136.07561	1.7
136.58061	0.4
145.04955	0.5
149.09677	0.5
164.07117	2.5
177.05481	1.5
180.09074	0.4
197.04904	1.2
215.05823	0.7
237.02794	0.8
263.09656	0.5
281.10721	0.5
293.09818	1.4
305.11179	0.4
311.09717	0.5
317.01709	0.4
322.08054	0.4
425.14236	100.0
425.90997	0.5
426.14481	5.4
443.15640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.05519	1.9
60.37290	1.4
61.82376	1.4
69.03403	2.5
69.07057	2.1
69.42932	12.7
71.04997	1.9
79.05483	2.8
81.03428	4.6
81.07044	5.8
85.02894	4.1
87.18306	1.4
88.84079	1.4
89.03905	4.0
93.07045	1.5
95.08571	3.8
97.02907	3.1
99.04464	1.6
105.07058	3.0
107.08575	3.1
109.02874	4.1
109.10167	1.7
117.03385	9.7
117.51391	1.4
118.31851	1.4
119.08565	2.9
121.10131	3.0
123.11685	1.6
127.03878	4.9
131.08546	2.4
133.10155	2.8
145.02858	21.3
149.05989	2.8
163.14912	1.6
165.09088	2.4
177.05470	40.8
178.05832	2.4
203.05202	2.1
243.04744	8.2
245.06396	7.4
260.03644	1.5
287.03729	55.8
289.05298	67.0
381.18744	6.6
425.11435	3.8
425.17801	100.0
425.34155	6.0
426.18350	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.6
82.99818	1.2
85.02892	1.2
94.99834	0.8
95.80958	0.7
97.02898	0.7
98.97566	1.8
101.00877	8.4
108.28461	0.7
109.02796	0.8
110.97531	0.9
113.00870	1.0
116.98611	1.7
119.01919	27.0
127.02331	1.2
129.03894	0.7
131.01918	8.1
137.02914	2.5
143.01892	21.8
145.03455	10.2
149.02936	1.0
155.01894	10.1
157.03497	5.5
161.02957	57.1
162.03102	1.9
163.04503	1.2
167.01920	4.7
169.03455	2.9
171.05000	1.7
173.01404	0.9
173.02956	18.0
175.04517	2.2
179.01900	2.2
179.03917	1.3
181.03452	1.1
184.04533	2.4
185.02956	35.2
186.03242	1.0
187.04427	3.4
191.04018	5.2
196.04579	1.0
197.02956	13.2
203.02243	2.2
203.03990	16.7
215.03993	9.8
220.04834	0.8
221.05171	1.7
227.04010	7.2
233.05089	0.8
239.04056	0.8
245.05078	100.0
246.05266	2.8
257.05029	4.9
257.67557	0.8
263.06155	29.4
264.06412	1.0
275.06110	15.4
275.08911	1.2
286.07681	1.0
293.07156	3.4
305.07452	10.2
323.06271	1.2
335.08267	3.1
365.09213	9.1
383.10297	1.1
424.67975	0.7
425.11951	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	425.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.05510	0.6
56.96579	0.8
63.02380	0.5
67.01871	1.0
67.05506	0.7
68.99789	0.5
69.03432	3.8
69.07079	0.7
71.04994	1.5
71.58172	0.5
78.04720	0.4
79.05485	0.9
81.03419	6.0
81.07052	1.4
83.04971	0.5
85.02904	4.4
87.00829	1.0
89.03912	6.3
90.35725	0.3
91.05480	1.5
93.07041	1.1
95.04987	0.5
95.08602	1.6
97.02893	3.9
99.04459	2.1
101.81525	0.3
103.05481	0.3
105.07019	1.3
107.08606	1.0
109.02881	8.8
109.10174	1.0
111.04424	0.3
115.05521	0.3
117.03379	20.7
119.04882	0.3
119.08551	1.0
121.10123	0.8
127.03913	5.7
131.08549	1.0
133.10155	1.4
134.03644	1.2
135.04399	2.3
135.08101	0.6
135.11662	0.6
145.02844	51.4
145.10115	1.1
146.03139	1.1
147.04449	0.4
147.11693	0.6
149.05963	6.6
149.13261	0.6
159.11745	0.7
162.03067	0.5
163.03917	1.2
163.14798	0.4
173.13165	0.7
175.14781	0.3
177.05466	100.0
177.16379	0.6
178.05838	2.1
181.76826	0.3
186.05482	2.5
187.14772	0.8
189.16389	0.4
191.14334	0.4
191.17911	0.3
195.06560	2.9
203.17920	1.3
255.21036	0.4
263.05963	0.5
281.07077	1.4
287.03699	1.6
289.05414	1.6
299.07935	2.1
321.09637	3.0
340.60864	0.3
407.09503	1.5
407.33008	0.4
425.10626	9.2
425.17099	1.9
425.22580	0.4
425.33865	1.3
426.11243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01865	0.3
57.03434	0.3
58.42545	0.2
59.28957	0.2
60.07575	0.2
61.02924	0.4
63.02345	0.4
67.01869	1.7
67.05499	0.4
68.99787	0.6
69.03078	0.4
69.03428	4.2
69.35300	2.0
71.05000	1.3
75.02653	0.2
78.04704	0.3
79.05485	0.2
80.95718	0.2
81.03420	7.0
81.07045	0.7
85.02905	3.6
87.00813	1.1
89.03919	7.0
90.10044	0.2
91.05476	0.7
93.07039	0.4
95.04940	0.3
95.08585	0.7
97.02289	0.3
97.02895	4.4
98.75734	0.2
99.04464	2.3
103.05440	0.4
105.07040	0.4
106.04147	0.4
107.04935	0.3
107.08582	0.5
109.02883	10.0
109.10186	0.4
114.78612	0.2
117.03381	23.7
118.03676	0.3
119.04962	0.2
119.08580	0.5
121.06461	0.3
121.10113	0.4
123.11681	0.3
127.03917	7.2
129.01849	0.3
129.04529	0.2
133.10121	0.3
134.03658	1.4
135.04420	1.8
137.05930	0.2
145.02846	56.5
146.03191	0.8
147.02890	0.2
147.11653	0.3
149.05988	8.2
153.05569	0.2
158.06012	0.5
161.05939	0.2
162.03128	0.3
163.03886	1.0
173.13194	0.3
177.05469	100.0
178.05807	1.8
186.05490	2.1
187.14825	0.3
195.06535	2.9
303.08514	0.3
321.09723	3.6
339.10748	0.6
362.31085	0.3
365.08536	0.5
407.09802	1.3
425.10797	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	425.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05513	1.7
55.35041	0.3
57.03436	0.9
61.02928	0.9
65.03954	0.3
67.01864	0.9
67.05509	1.4
68.99789	1.1
69.03429	4.7
69.07067	0.8
69.52036	1.3
69.52469	1.6
71.04996	2.2
73.02923	0.4
75.04462	0.7
79.05473	1.1
81.03423	5.5
81.07060	2.6
83.04978	0.9
83.08648	0.3
85.02905	7.2
87.00838	1.3
89.03916	6.7
91.05498	1.7
93.07035	1.6
95.04970	1.0
95.08604	3.3
97.02895	4.6
98.21426	0.7
99.04453	1.2
105.07035	2.4
106.04171	0.5
107.08602	2.6
109.02884	7.8
109.10146	1.8
111.04431	1.2
113.69840	0.3
115.03918	0.8
117.03380	21.0
117.06979	0.4
118.03682	0.4
119.08587	2.9
119.44783	0.3
119.78338	0.3
120.08928	0.4
121.06454	0.5
121.10175	2.0
123.11726	0.8
127.03921	5.1
129.01826	1.6
129.05470	1.3
131.08592	2.1
132.08923	0.7
133.10168	2.0
134.03610	1.1
135.04436	2.1
135.08063	0.4
135.11691	0.8
143.08571	0.6
145.02847	52.5
145.10164	2.2
146.03178	0.8
146.10468	1.0
147.02930	0.4
147.06581	0.4
147.11665	1.0
149.04805	0.4
149.05980	6.6
149.13301	1.0
154.08714	0.4
157.10133	0.5
158.06023	0.7
159.11679	1.2
161.13278	0.8
162.03175	0.4
163.03888	1.6
163.14799	1.1
171.11678	0.5
173.13263	1.6
174.10146	0.3
174.12050	0.4
174.13527	0.9
175.14838	1.2
176.15169	0.5
177.05470	100.0
177.16364	1.3
178.05791	1.5
186.05515	2.6
187.14804	1.4
188.15030	0.4
189.16425	2.0
190.16727	0.3
191.14293	0.8
191.17900	0.5
194.11821	0.4
195.06516	2.3
201.16396	0.8
203.17964	2.9
205.05035	0.7
213.03986	0.3
221.15379	0.5
225.07599	1.0
239.09084	0.4
241.19562	0.4
243.08498	0.7
321.09729	3.0
339.10596	0.3
339.17554	0.5
365.09286	0.4
381.18826	5.3
407.09561	1.0
407.32898	0.7
424.32938	0.6
425.10754	7.9
425.17627	34.9
425.33917	3.5
426.11093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
53.03948	1.6
57.03420	0.3
63.02374	0.3
67.01871	1.6
69.03075	0.3
69.03429	4.3
69.07045	0.2
69.79464	1.1
71.05000	1.5
72.71049	0.2
74.09715	0.2
78.29411	0.2
79.05492	0.2
81.03425	5.7
81.07007	0.2
83.04974	0.2
85.02907	3.5
86.38282	0.2
87.00824	0.8
89.03918	7.5
91.05473	0.9
93.07039	0.3
95.04951	0.2
95.08604	0.5
97.02899	4.3
98.21449	0.2
99.04452	1.8
103.05491	0.3
105.07014	0.2
106.04177	0.3
107.08582	0.3
109.02884	10.3
111.04494	0.2
117.03381	23.4
119.08607	0.2
121.06533	0.2
124.05248	0.3
127.03917	6.1
129.01920	0.2
129.05508	0.2
131.08548	0.2
134.03648	1.5
135.04424	1.9
143.04945	0.3
145.02849	53.5
146.03180	0.9
149.05988	7.5
158.06050	0.4
162.03168	0.6
163.03893	1.2
177.05475	100.0
178.05807	1.4
186.05518	2.5
194.65184	0.2
195.06535	3.2
213.03966	0.3
227.54626	0.2
255.00478	0.2
261.07507	0.4
266.75775	0.2
285.07626	0.2
321.09671	3.3
339.10696	0.7
365.08774	0.4
407.09698	1.5
425.10815	9.1
426.11218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.1
51.02383	0.1
53.00312	0.1
53.03942	1.1
57.03426	0.3
62.01578	0.1
63.02033	0.1
63.02333	0.5
67.01864	1.3
67.05479	0.1
68.99786	0.2
69.03428	4.2
71.01358	0.1
71.04994	1.2
71.20251	0.1
71.20598	0.1
73.02902	0.1
77.03905	0.1
78.04697	0.4
81.03416	6.6
82.03738	0.1
85.02901	3.2
87.00838	0.9
89.03912	7.2
90.04246	0.1
91.05490	0.4
93.07010	0.1
95.04951	0.2
97.02888	3.5
99.04451	2.0
101.02377	0.2
103.03975	0.1
103.05466	0.3
105.01862	0.1
105.03352	0.1
106.04160	0.4
107.04961	0.1
109.02876	9.3
117.03375	22.9
118.03698	0.3
119.04939	0.2
121.06490	0.2
124.05194	0.3
127.03912	5.9
128.04321	0.1
129.04497	0.1
134.03627	1.6
135.04428	1.7
143.04947	0.1
145.02838	53.1
146.03194	0.8
147.04442	0.1
149.05975	7.3
150.06325	0.2
158.06064	0.4
162.03131	0.4
163.03918	1.1
177.05461	100.0
178.05798	1.5
186.05475	1.6
193.08627	0.1
195.06529	2.1
213.03973	0.3
231.04901	0.2
239.49644	0.1
261.07492	0.1
265.39352	0.1
285.07452	0.1
303.08334	0.1
321.09683	3.6
339.10745	0.6
365.08661	0.5
381.11722	0.2
407.09641	1.3
425.10776	8.5
426.11139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.2
51.02367	0.2
53.03943	1.2
55.01877	0.3
55.05502	0.3
55.98065	0.2
56.96566	1.5
57.03434	0.4
61.02919	0.3
63.02367	0.4
67.01863	1.4
67.05493	0.6
68.99785	0.6
69.03077	0.3
69.03430	4.7
69.07067	0.3
71.04992	1.3
78.04707	0.3
79.05489	0.5
81.03420	6.5
81.07064	1.1
82.10030	0.2
85.02910	3.5
87.00835	1.2
89.03914	7.5
91.05487	1.0
93.07023	0.5
95.04964	0.5
95.08596	0.7
97.02278	0.4
97.02890	4.9
98.97619	0.2
99.04466	1.7
103.05453	0.5
105.01847	0.2
105.07031	0.4
106.04155	0.3
107.08615	0.4
109.02880	9.3
109.06528	0.2
109.10107	0.4
117.03381	23.7
119.04958	0.3
119.08569	0.6
121.06510	0.2
124.05289	0.3
126.38418	0.2
127.03921	6.4
129.01874	0.8
131.08574	0.3
133.10165	0.4
134.03635	1.6
135.04405	2.1
135.08058	0.2
137.05974	0.3
143.05006	0.2
145.02846	56.5
146.03200	0.7
147.04364	0.3
147.11688	0.2
149.05983	7.7
154.68091	0.2
157.10149	0.4
158.06015	0.5
161.13240	0.2
162.03119	0.3
163.03906	1.3
177.05469	100.0
178.05798	1.8
186.05498	2.8
187.02446	0.2
195.06519	2.5
213.04037	0.5
237.07954	0.4
245.06467	0.2
253.07535	0.6
255.09082	0.5
263.05972	0.6
281.07022	3.3
289.05313	7.2
299.08063	3.5
304.08646	0.4
321.09674	3.3
322.09891	0.3
339.10773	0.4
365.08829	0.4
407.09964	1.7
416.42245	0.2
425.10931	8.8
425.17297	1.1
425.25427	0.9
425.33914	0.3
426.11011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
57.03423	0.5
61.02915	0.4
63.02365	0.5
67.01861	1.4
68.99796	0.7
69.03432	4.2
69.07051	0.3
69.40047	2.9
71.04996	1.3
78.04730	0.5
81.02980	0.5
81.03422	7.4
81.07062	0.5
85.02907	3.9
87.00821	1.1
89.03921	7.7
91.05484	0.7
93.07034	0.5
93.23065	0.3
95.08607	0.8
97.02900	3.3
99.04437	1.3
103.05466	0.6
105.07014	0.6
106.04173	0.4
107.08565	0.4
109.02885	8.6
109.10146	0.6
117.03385	22.7
119.08585	0.5
127.03926	6.4
129.01831	0.9
134.03629	1.8
135.04417	2.1
145.02852	55.0
146.03250	0.4
147.02937	0.4
149.05997	7.1
158.05974	0.6
162.03082	0.5
163.03886	1.3
177.05476	100.0
178.05840	1.9
186.05513	3.4
195.06505	2.6
213.03836	0.3
214.17758	0.3
217.43056	0.3
233.44264	0.3
264.50198	0.3
321.09726	2.6
339.10757	0.5
407.09741	1.4
425.10849	9.9
425.33878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05513	1.7
55.35041	0.3
57.03436	0.9
61.02928	0.9
65.03954	0.3
67.01864	0.9
67.05509	1.4
68.99789	1.1
69.03429	4.7
69.07067	0.8
69.52036	1.3
69.52469	1.6
71.04996	2.2
73.02923	0.4
75.04462	0.7
79.05473	1.1
81.03423	5.5
81.07060	2.6
83.04978	0.9
83.08648	0.3
85.02905	7.2
87.00838	1.3
89.03916	6.7
91.05498	1.7
93.07035	1.6
95.04970	1.0
95.08604	3.3
97.02895	4.6
98.21426	0.7
99.04453	1.2
105.07035	2.4
106.04171	0.5
107.08602	2.6
109.02884	7.8
109.10146	1.8
111.04431	1.2
113.69840	0.3
115.03918	0.8
117.03380	21.0
117.06979	0.4
118.03682	0.4
119.08587	2.9
119.44783	0.3
119.78338	0.3
120.08928	0.4
121.06454	0.5
121.10175	2.0
123.11726	0.8
127.03921	5.1
129.01826	1.6
129.05470	1.3
131.08592	2.1
132.08923	0.7
133.10168	2.0
134.03610	1.1
135.04436	2.1
135.08063	0.4
135.11691	0.8
143.08571	0.6
145.02847	52.5
145.10164	2.2
146.03178	0.8
146.10468	1.0
147.02930	0.4
147.06581	0.4
147.11665	1.0
149.04805	0.4
149.05980	6.6
149.13301	1.0
154.08714	0.4
157.10133	0.5
158.06023	0.7
159.11679	1.2
161.13278	0.8
162.03175	0.4
163.03888	1.6
163.14799	1.1
171.11678	0.5
173.13263	1.6
174.10146	0.3
174.12050	0.4
174.13527	0.9
175.14838	1.2
176.15169	0.5
177.05470	100.0
177.16364	1.3
178.05791	1.5
186.05515	2.6
187.14804	1.4
188.15030	0.4
189.16425	2.0
190.16727	0.3
191.14293	0.8
191.17900	0.5
194.11821	0.4
195.06516	2.3
201.16396	0.8
203.17964	2.9
205.05035	0.7
213.03986	0.3
221.15379	0.5
225.07599	1.0
239.09084	0.4
241.19562	0.4
243.08498	0.7
321.09729	3.0
339.10596	0.3
339.17554	0.5
365.09286	0.4
381.18826	5.3
407.09561	1.0
407.32898	0.7
424.32938	0.6
425.10754	7.9
425.17627	34.9
425.33917	3.5
426.11093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82122	0.2
53.03937	1.6
55.05500	0.5
55.41719	0.2
57.03427	0.7
59.05410	0.2
61.02899	0.3
63.02367	0.5
67.01844	1.4
67.05486	0.3
68.99792	0.4
69.03426	4.6
69.07050	0.7
71.04983	2.0
71.51120	0.3
71.51475	0.2
72.69220	0.2
73.02924	0.3
75.04459	0.2
78.04683	0.4
79.05492	0.4
81.03410	6.6
81.07054	1.0
83.04964	0.9
85.02898	5.6
87.00808	0.9
87.33029	0.2
89.03912	7.6
91.05472	0.9
93.07013	0.7
95.04956	0.4
95.08591	1.0
95.46346	0.3
97.02880	4.5
99.04445	1.6
103.05460	0.3
105.01853	0.3
105.07021	0.8
106.04202	0.3
107.08588	0.7
109.02872	8.5
109.10133	0.5
110.03232	0.3
110.53707	0.2
111.04417	0.6
115.03916	0.4
117.03370	23.2
119.08574	1.0
121.06456	0.3
121.10124	0.8
123.11678	0.6
124.05204	0.4
127.03902	6.2
129.01784	0.4
129.05463	0.5
131.08543	0.8
133.10106	0.5
134.03625	1.8
135.04398	1.9
135.11659	0.6
145.02832	53.9
145.10109	0.9
146.03189	0.7
146.10489	0.4
147.04398	0.3
147.11673	0.6
149.04768	0.4
149.05968	7.7
158.06017	0.5
159.11725	0.4
161.13309	0.3
162.03070	0.4
163.03911	1.3
173.13249	1.0
174.13669	0.4
175.14830	0.4
176.15208	0.3
177.05453	100.0
178.05783	1.7
186.05455	2.1
189.16414	0.3
191.17915	0.4
195.06496	2.7
199.14793	0.4
203.17957	0.5
221.15359	0.3
225.07472	0.7
261.09790	0.3
321.09668	3.0
394.88593	0.2
407.09750	1.4
425.10757	9.0
425.24936	0.8
425.33740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48499	1.3
55.01879	2.0
55.05515	6.8
56.48036	1.3
57.03437	3.0
57.07085	3.4
60.75119	1.4
61.95074	1.3
67.05502	5.4
69.03437	5.4
69.07075	19.5
70.49592	4.5
71.04998	4.3
71.08627	2.6
74.34579	1.4
79.05485	2.7
81.03420	3.9
81.07065	25.3
82.06553	1.5
82.07423	1.7
83.04983	4.6
83.08639	7.2
85.02922	25.8
85.06551	7.5
91.05481	6.1
93.07054	5.2
95.04972	2.2
95.08616	10.7
97.02899	4.5
97.06550	3.7
99.04475	5.1
99.08028	2.3
100.11275	6.4
101.02388	4.0
105.07047	12.5
107.08624	8.8
109.02892	4.6
109.06537	6.0
111.04347	1.3
111.08119	2.0
113.06030	2.0
117.03411	4.1
119.08604	6.3
120.87324	1.3
121.10175	12.4
123.08072	4.4
123.11729	32.0
127.03941	3.4
127.07597	9.0
131.08560	2.3
133.10088	1.4
135.04353	2.1
135.11717	1.4
137.05984	1.5
137.13306	2.1
141.09145	2.1
141.12762	5.3
145.02856	9.6
147.11708	37.6
149.06009	1.8
155.14328	5.7
163.03908	1.9
165.12759	21.0
167.07103	1.4
171.38304	1.4
175.14865	1.6
177.05495	21.2
183.13834	92.4
184.14206	2.1
201.14879	100.0
226.46252	1.5
414.83878	2.3
423.84500	7.0
424.30545	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	424.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.05511	10.1
56.05843	1.8
57.07069	2.0
59.05009	3.4
63.65967	1.6
67.05497	22.8
69.03427	3.4
69.07062	8.4
69.29020	7.0
69.29453	13.0
71.04996	2.8
79.05489	11.5
81.03429	4.1
81.07059	21.8
83.04972	4.2
83.08621	6.0
85.06554	2.8
91.05486	14.7
92.80056	1.8
93.07040	24.8
95.04963	4.3
95.08605	38.6
96.08931	3.7
97.02910	3.3
97.06529	5.8
105.00093	4.8
105.07021	27.0
105.07663	2.0
107.04959	3.2
107.08595	28.7
108.08885	2.2
109.02885	3.9
109.06516	4.2
109.10151	24.3
111.04451	14.0
111.08093	3.9
113.09668	1.8
117.03376	4.1
117.07020	7.8
119.08574	47.1
119.09348	3.3
121.06473	2.5
121.10143	20.5
123.01117	2.5
123.08083	4.9
123.11715	11.2
127.03890	2.1
128.31065	2.0
129.06990	3.8
130.07782	1.7
131.08566	9.8
133.10133	30.9
135.08076	4.1
135.11714	11.2
137.05988	2.5
137.09637	6.4
139.07533	4.3
141.06999	3.8
143.08545	10.8
145.02849	13.3
145.10114	19.2
147.08057	3.2
147.11702	21.2
149.13243	4.6
151.07512	2.9
151.11162	5.8
155.08553	2.6
156.09396	3.3
157.10126	13.6
159.11670	23.2
161.09642	4.8
161.13234	11.4
163.14827	6.1
165.09053	2.6
169.10153	6.7
170.10890	3.1
171.11664	10.7
173.09567	4.5
173.13249	14.7
175.14784	4.4
177.05438	27.3
177.09073	3.6
179.10701	4.3
181.10123	2.5
182.10799	2.1
183.11722	8.3
185.09612	3.7
185.13280	6.8
187.11179	4.7
187.14844	5.5
189.09148	2.5
189.16444	5.3
191.10619	3.7
193.12186	2.7
197.13251	10.0
199.11159	4.6
199.14915	9.7
200.11697	2.2
201.09081	1.9
201.12764	2.7
201.16425	6.2
203.10727	4.1
203.14311	1.9
205.12270	4.3
209.13289	3.1
210.95023	1.9
211.14809	5.5
213.12747	2.9
213.16411	7.4
215.10799	2.3
215.14386	3.4
215.17970	5.9
217.12271	4.6
221.15465	1.8
223.14732	2.3
225.12796	4.0
227.18034	3.2
229.12263	5.5
229.15866	2.8
229.19444	4.6
237.16263	4.0
239.14311	4.2
239.18010	9.1
241.15869	2.1
243.13768	5.3
245.15463	2.3
253.19493	7.7
255.17380	3.1
257.15320	2.9
257.19043	7.7
259.16904	3.3
263.17902	3.0
265.16162	2.0
271.20609	7.5
273.18454	4.2
275.20038	20.3
281.19101	9.5
289.21701	4.8
299.16678	2.5
299.20065	52.2
302.21951	7.1
317.21112	100.0
423.50543	1.9
424.21512	2.6
424.26706	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	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07512	0.4
53.03927	0.9
53.84890	0.5
55.01859	1.1
57.03430	0.8
61.02908	0.7
61.13591	0.5
67.05483	1.5
68.99794	0.5
69.03428	3.2
70.66968	0.5
70.85041	0.6
70.85370	1.3
70.93446	0.6
71.04989	8.7
71.08631	7.5
73.02913	0.9
79.05494	0.7
81.03410	4.2
81.07043	3.8
85.02897	7.7
85.96413	0.5
87.00835	3.1
89.03902	0.8
95.04964	0.6
95.08610	0.6
97.02879	4.8
99.04443	1.9
99.08092	6.0
100.11255	0.7
105.01887	3.3
109.02847	3.5
117.03376	2.4
120.08078	0.7
123.11711	0.8
123.52866	0.5
127.03913	5.5
135.04393	0.7
141.12730	100.0
142.13087	2.3
145.02847	5.3
145.04979	1.8
149.05939	0.5
151.40768	0.5
159.02875	1.2
159.13794	18.7
163.03865	0.9
175.17192	0.5
177.05452	9.8
187.91290	0.5
199.11263	1.6
200.11476	1.6
205.73479	0.5
303.03528	0.6
424.21494	2.4
425.10205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01867	0.3
55.05501	0.3
57.03429	0.8
61.02917	0.3
63.02404	0.3
67.01868	1.2
67.05511	0.5
68.99783	0.3
69.03423	5.1
69.07043	0.2
71.01369	0.2
71.04987	1.6
71.59140	0.2
71.59506	0.2
73.02930	0.4
73.98931	0.2
79.05505	0.3
81.03415	7.4
81.07040	1.0
82.76704	0.2
83.04984	0.3
85.02901	9.6
87.00829	1.2
89.03912	8.1
89.04475	0.3
91.05481	1.0
93.07058	0.5
95.04954	0.3
97.02888	5.7
99.03828	0.4
99.04453	5.1
101.02377	0.3
103.03934	8.5
103.05447	0.4
105.01873	0.5
105.07032	0.4
106.04181	0.3
109.02876	10.0
111.08113	0.2
115.03894	0.3
117.03372	17.8
121.06482	0.3
123.11733	0.2
127.03913	15.1
131.04976	0.2
134.03639	1.8
135.04419	3.5
145.02840	40.1
145.04845	6.1
146.05315	0.2
147.04422	0.2
149.05975	8.1
158.06030	0.4
162.03136	0.5
163.03918	5.1
163.06000	5.7
166.38411	0.2
177.05458	100.0
186.05519	1.4
187.05966	0.4
190.90088	0.2
195.06538	2.6
205.07042	0.3
211.03415	0.2
213.03899	0.2
231.05017	1.0
243.06425	0.3
249.05988	0.4
261.07495	0.8
269.13748	0.3
271.08063	0.7
285.07559	0.3
289.09216	0.5
307.10327	1.0
321.09714	3.5
339.10840	0.5
365.08603	0.6
389.18069	0.2
407.09662	1.5
424.18948	0.2
425.10757	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	424.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01873	11.5
55.05505	3.4
55.48376	0.7
56.96552	1.3
57.03437	8.2
57.07056	1.0
59.38039	0.8
61.02926	8.0
65.03935	1.7
67.05503	39.2
68.05823	0.9
68.99782	3.4
69.03426	32.1
69.07058	2.6
71.04980	6.9
71.08614	1.4
71.14830	1.7
73.02921	10.9
79.05492	2.6
81.03417	36.9
81.07057	38.3
83.01356	1.3
83.04971	1.5
83.08603	1.1
85.02905	96.7
86.03250	0.9
86.25425	0.7
87.00829	35.2
87.04462	1.9
89.03892	2.1
90.74164	0.8
91.03951	2.8
91.05476	2.3
93.07047	1.9
95.04946	1.6
95.08591	1.8
97.02892	59.8
98.03165	1.0
98.97572	2.1
99.04454	25.0
99.08084	1.0
101.02355	1.2
103.03298	1.3
103.03942	15.4
105.01868	45.4
105.07023	1.3
107.04952	0.9
107.08590	2.2
109.02879	35.0
109.10148	1.2
111.04413	1.5
113.85220	0.7
115.03953	1.6
116.98665	1.0
117.01862	5.1
117.03362	4.9
117.07042	0.9
119.04907	1.0
119.08605	1.8
120.08102	1.1
121.10102	1.0
123.11704	34.8
127.03917	100.0
127.88190	0.7
128.04265	2.6
129.01823	4.8
133.06465	1.0
133.10181	0.9
135.04436	1.1
135.11713	1.2
136.06151	0.7
145.02925	11.0
145.04955	57.8
145.10175	0.9
146.99661	1.0
147.02910	3.7
147.04398	2.2
147.11623	1.0
149.05971	3.0
159.02892	24.9
163.03940	1.4
163.06012	6.8
167.07039	4.4
168.07394	2.7
173.29164	0.8
177.03943	1.7
177.05450	21.9
193.08612	0.8
213.03912	4.1
219.01686	1.5
231.05005	21.0
237.02792	3.3
249.06067	5.0
267.16040	1.5
289.09183	1.0
307.10339	2.2
339.10883	0.9
365.09589	0.9
371.16949	1.4
416.36374	0.9
424.16464	0.9
424.21671	1.1
425.09406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01868	0.3
55.05510	0.6
57.03431	0.9
61.02919	1.0
62.06231	0.2
63.02394	0.3
67.01875	1.3
67.05500	0.3
69.03429	8.0
70.99510	0.5
71.01357	0.3
71.04993	2.8
73.02916	0.9
78.04742	0.3
79.05500	0.2
81.03416	11.8
81.07050	0.4
83.04984	0.4
83.08616	0.2
85.02905	26.8
86.03267	0.3
87.00817	1.1
87.04462	0.3
89.03918	7.6
91.03963	0.4
91.05491	0.7
93.07050	0.3
95.04977	0.5
95.08591	0.4
97.02893	11.4
97.06557	0.3
99.04457	14.1
101.02364	0.4
103.03943	30.7
104.04301	0.4
105.07026	0.4
106.04185	0.6
107.08619	0.3
109.02880	14.4
111.04452	0.3
111.08043	0.3
115.03983	0.3
117.03381	22.3
119.04996	0.3
121.06530	0.4
127.03918	39.9
128.04269	0.5
134.03633	1.9
135.04405	2.4
141.09122	0.2
141.12788	0.3
145.02852	51.2
145.04927	20.7
146.05293	0.2
149.05981	8.5
158.05992	0.5
162.03168	0.4
163.04028	2.1
163.06021	21.4
167.10649	0.3
172.04424	0.2
175.07500	0.2
177.05467	100.0
185.15355	0.2
186.05521	1.9
187.06021	1.8
195.06494	2.3
205.07060	1.4
209.11702	0.5
213.03880	0.4
227.07022	0.4
253.07036	0.5
269.13791	1.3
271.08090	2.4
289.09155	1.8
307.10220	3.6
321.09708	3.3
339.10654	0.5
342.20639	0.2
365.08493	0.5
389.17960	0.7
407.09644	2.0
424.30518	0.3
425.10815	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	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01874	6.4
55.05506	5.9
56.80238	3.3
56.96569	7.9
57.03428	9.3
61.02930	4.9
67.05508	31.2
67.94807	3.1
69.03434	34.5
70.00659	14.5
70.01061	6.3
71.04974	3.5
73.02917	5.0
79.05493	3.8
81.03419	27.2
81.07059	40.6
85.02430	6.0
85.02911	100.0
87.00836	38.0
89.03899	4.7
91.05471	4.3
93.07028	3.2
97.02898	46.7
98.20727	3.5
99.04461	12.7
105.01867	93.1
105.07053	4.4
107.08568	3.1
109.02870	30.0
109.10128	6.6
117.03391	11.7
119.08587	5.2
123.11702	13.0
127.03917	90.4
127.04802	6.3
129.01823	4.0
136.41600	2.9
141.89430	3.0
142.70055	3.1
145.02863	27.9
145.04965	47.0
147.03287	3.3
147.04376	19.3
149.06004	5.8
159.02895	11.4
177.04042	6.9
177.05479	63.4
177.06972	2.1
206.18005	3.2
231.04990	28.0
248.32048	3.4
249.06036	12.5
263.05930	4.6
277.66882	3.3
281.06982	25.3
299.08017	31.5
308.08020	3.8
425.11627	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21856	1.2
55.01876	6.4
55.05508	4.7
56.05021	2.4
57.03183	1.8
57.03441	21.3
58.99588	7.1
59.06104	1.3
60.04520	1.1
60.22256	1.1
61.01151	1.3
63.87395	1.1
67.05488	1.5
69.03418	1.3
69.07064	4.3
70.02940	3.1
70.06573	1.2
70.99573	1.7
71.35654	2.2
71.35987	1.2
74.00279	1.6
74.00670	23.3
74.02431	1.3
76.02233	13.4
76.03998	10.7
78.01803	2.9
78.03782	4.3
78.75433	1.2
79.05488	4.6
81.07060	27.3
83.06097	4.8
84.04509	41.2
84.08144	1.7
85.02898	2.8
85.04033	24.1
86.09708	3.9
86.99065	2.9
88.02226	1.3
88.03999	1.6
92.01713	10.7
93.07065	2.2
97.06544	13.8
98.09694	3.5
99.05579	13.2
99.08099	87.9
101.04223	1.4
102.05525	1.5
107.06066	1.5
111.74261	1.2
112.03951	9.0
112.07592	2.4
113.02375	1.2
113.03476	7.6
113.04224	3.4
116.01699	13.6
121.10188	1.1
127.03931	1.5
127.05809	2.9
129.03716	11.3
129.06589	8.2
130.04033	2.3
130.05013	43.1
130.08656	1.2
131.04532	20.7
131.05406	2.3
135.05515	1.4
136.37839	1.0
139.03235	1.3
139.05762	3.7
142.03215	2.8
144.01181	6.1
145.06091	36.1
149.03792	3.1
153.06586	5.6
155.08105	1.2
156.08414	4.6
157.06836	3.8
160.00618	4.8
162.02222	17.8
169.06084	2.6
172.95200	1.5
174.09497	16.3
175.07904	9.2
177.03300	100.0
178.03339	1.4
179.04875	14.1
181.04543	2.7
181.06073	6.2
185.03777	7.5
192.10568	3.5
199.05515	1.3
199.07166	5.3
200.40657	1.1
201.00764	1.2
230.08429	4.3
231.04369	11.9
242.06169	1.5
242.08449	5.1
247.11134	3.4
250.61592	1.4
251.84354	1.3
256.09280	2.7
259.11310	6.9
260.06870	2.3
260.09552	43.4
274.10336	4.9
277.12192	56.3
278.10583	4.4
288.06284	5.5
295.13300	11.8
306.07590	12.5
307.06000	1.3
319.09332	1.2
331.13245	6.6
343.08249	1.3
349.14337	8.9
406.16434	13.1
424.12460	1.7
424.17957	5.8
446.25061	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	8.2
71.59255	1.1
71.95245	1.6
75.49496	1.0
81.07056	5.5
88.66702	0.9
94.42110	0.9
98.97588	40.5
106.41775	0.9
110.53037	1.1
116.98624	51.0
120.17719	1.0
134.99663	47.0
137.13252	1.6
140.00212	2.0
142.34610	1.0
153.00714	9.6
158.01291	4.0
174.00758	3.1
177.00951	2.6
182.93513	1.1
192.98839	1.2
216.98727	1.8
219.01997	3.5
220.02148	1.8
221.01970	1.1
234.99904	7.6
240.98616	5.8
250.97769	1.5
253.01033	2.1
256.03500	1.4
258.99820	55.9
260.00018	3.0
261.00037	1.6
261.03064	3.1
262.03162	1.5
263.02948	2.6
274.97717	3.8
277.00858	100.0
278.00970	5.2
279.01031	3.6
282.01334	3.2
282.99985	22.3
284.00076	1.9
284.99890	1.4
292.98764	1.3
295.01968	2.5
298.00684	1.3
298.97665	1.4
300.02408	10.8
301.01053	47.5
302.01202	5.5
303.00778	3.1
316.01913	1.1
316.98859	2.6
318.02951	1.7
319.02081	3.4
324.02759	2.3
342.02225	1.1
359.01392	3.9
373.50946	1.3
377.02829	1.9
382.02737	1.3
382.99823	6.4
391.50928	1.1
400.03357	1.5
401.01047	30.4
402.01230	3.4
403.00943	1.6
403.49741	1.0
419.01959	8.8
420.02179	1.5
424.02536	6.8
425.01279	7.1
442.03391	3.7
443.02319	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	423.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56547	4.9
52.63872	5.3
54.82597	5.4
55.05509	11.4
57.07067	20.6
58.12476	4.9
67.05505	28.5
67.12889	5.2
69.07063	22.7
69.26350	30.3
69.26781	25.9
71.04996	7.0
71.08643	11.6
79.05493	14.0
81.05182	4.6
81.07047	41.2
83.08611	9.5
85.10152	7.0
86.09685	8.6
91.05489	9.2
93.07040	23.1
95.08627	45.0
97.06553	8.7
98.21606	9.3
103.06169	5.0
105.07025	17.8
107.08590	16.4
109.06513	10.9
109.10142	19.4
119.08585	19.2
121.10125	14.9
123.08038	37.1
123.11662	8.9
133.10126	13.6
135.08078	6.0
135.11676	11.7
147.11659	6.1
149.13283	6.7
155.02718	5.4
159.11713	7.1
161.13231	26.3
173.13217	5.7
175.14903	6.8
179.14319	23.5
191.32892	5.7
211.20686	7.3
222.32936	5.9
258.17651	5.7
331.26456	26.7
423.30981	100.0
423.36325	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	423.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.1
56.02029	3.8
57.07076	36.2
67.05505	17.9
69.07085	15.6
70.93740	4.2
71.08634	22.6
71.20654	8.2
79.05497	8.7
81.07062	39.6
83.08615	8.5
85.10186	13.4
91.05474	9.7
93.07059	13.1
95.08611	56.1
97.10188	9.5
105.07033	12.8
105.79894	4.8
109.10154	13.9
119.08594	16.0
121.10129	6.9
133.10153	8.9
135.11676	5.7
145.10165	6.9
151.14859	8.2
159.11699	6.9
161.13252	100.0
162.09503	4.6
165.95949	4.5
165.98845	4.2
179.14323	17.5
187.14815	8.5
211.20546	24.2
223.65538	4.9
253.21684	10.6
255.19128	5.0
369.35226	33.2
387.36230	11.0
391.30096	4.9
405.37225	11.0
423.30820	5.5
428.93732	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	423.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.7
55.56409	3.9
56.96564	10.5
57.03424	3.5
57.07074	40.5
62.17011	4.2
67.05501	45.0
69.07075	31.0
71.04974	3.9
71.08630	33.3
71.15408	7.9
71.15744	5.8
74.01302	3.7
79.05492	21.3
81.07053	72.0
83.08619	17.5
85.06524	9.0
85.10173	17.6
91.05463	24.4
93.07035	36.6
93.69880	3.6
95.08604	100.0
97.06522	10.8
97.10160	11.8
105.07037	42.8
107.08558	26.9
109.06496	6.5
109.10159	31.8
111.08128	5.6
111.11678	5.1
113.00039	4.6
116.78600	3.7
117.06984	5.2
119.08588	39.7
121.10104	24.1
123.08083	12.6
123.11675	10.7
123.90527	4.2
125.09605	6.4
131.08588	10.5
131.64371	4.7
133.10147	28.8
135.11679	21.8
137.13234	7.1
141.63634	3.6
145.10123	17.3
147.11707	10.2
149.09541	4.0
149.13232	7.9
151.14877	5.3
159.11708	12.8
161.13240	96.2
175.02840	9.4
175.14839	4.4
179.14268	26.2
187.14748	11.2
197.15338	5.2
203.17995	7.3
211.20541	25.0
215.99869	4.0
219.17654	4.1
220.07117	4.7
364.22565	5.5
369.35086	20.4
387.36020	5.2
405.36938	5.2
423.25156	18.4
423.31326	28.7
423.36374	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	423.3622
Annotation	glochidone
Peak:m/z	Relative Intensity
53.03936	2.4
55.01885	1.2
55.05507	10.4
57.03439	1.6
57.07067	5.7
62.38434	1.1
64.10498	1.1
67.05504	19.9
69.03430	1.5
69.07068	18.1
69.28689	12.5
71.04993	1.3
79.05492	13.6
81.07061	37.5
83.04983	2.0
83.08635	8.7
83.76781	1.0
91.05469	16.5
93.07043	28.2
95.04975	3.5
95.08611	68.8
97.06535	2.5
97.10168	6.0
101.11222	1.1
105.07036	33.7
107.04942	1.8
107.08598	44.5
109.06554	1.3
109.10157	35.5
110.10532	1.3
111.08101	4.8
111.11743	1.9
117.07016	6.6
119.08588	39.5
121.10150	34.8
123.11700	16.3
125.09647	1.4
129.07018	4.7
130.07796	1.7
130.53645	1.1
131.08577	21.1
133.10130	32.3
133.11070	2.0
135.08038	2.3
135.11693	23.1
136.12070	1.5
137.05995	2.3
137.13245	10.1
141.06955	1.7
143.08603	6.7
144.05815	1.2
144.09364	2.3
145.10121	31.8
147.08069	1.1
147.11688	22.4
149.13246	12.1
151.11191	1.9
151.14865	1.6
157.10118	9.2
159.11697	29.1
160.12183	1.8
161.09703	1.5
161.13292	17.6
163.11244	1.5
163.14818	10.9
169.10118	2.7
171.08096	1.4
171.11734	6.7
172.12411	2.9
173.13280	21.5
174.47748	1.3
175.14816	20.2
175.16248	1.5
177.12813	3.4
177.16354	10.4
179.14369	3.9
183.11720	2.3
185.09744	2.2
185.13287	3.1
187.14835	19.7
189.16386	19.7
190.16870	1.8
191.14378	1.4
191.17953	20.5
193.15897	2.0
197.13287	2.1
199.11156	7.6
199.14824	7.2
201.16396	27.8
203.17970	26.5
205.15956	2.6
205.19617	5.4
207.17442	11.3
213.16301	6.1
215.17944	34.4
215.19872	2.4
217.12268	2.4
217.16066	1.6
217.19496	10.7
219.17473	7.7
220.32538	1.4
225.16579	1.5
227.18002	5.5
229.19553	6.2
231.17464	3.0
231.21204	1.5
233.19006	46.5
234.19556	2.5
239.17894	1.8
241.19571	3.9
243.21126	6.5
253.19670	2.5
255.21086	4.6
257.22717	1.3
261.22427	1.6
267.21063	2.9
269.22705	8.6
271.20752	1.6
271.24271	1.6
273.22186	3.4
281.22650	1.6
283.24246	3.3
285.22226	3.4
323.68100	1.4
363.30347	1.8
377.32059	1.4
405.35193	16.4
405.40094	1.4
423.21466	3.9
423.36353	100.0
424.36783	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	423.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
53.84237	1.4
55.05511	13.1
57.03433	2.8
57.07073	5.4
59.05003	1.4
67.05506	24.4
69.03441	1.9
69.07063	17.3
69.38415	6.7
69.38840	5.7
79.05495	15.3
81.03429	4.7
81.07059	39.5
83.04990	2.6
83.08627	8.5
85.02924	2.2
86.04102	1.5
91.05483	19.8
91.06010	1.9
93.07053	30.0
95.04981	4.1
95.08607	66.4
96.08928	3.5
97.02866	3.4
97.06536	4.9
97.10184	5.7
98.20727	1.9
99.83852	1.3
103.05509	1.5
105.07035	36.1
107.04964	2.2
107.08598	43.5
109.02851	2.2
109.06543	2.4
109.10158	40.8
111.04442	1.3
111.08126	3.0
111.11707	1.6
115.64215	1.3
117.07024	7.8
119.08583	39.8
120.08917	2.1
121.10141	35.4
123.04424	3.2
123.08107	1.8
123.11687	15.5
128.06242	4.3
129.07027	9.4
130.07831	1.7
131.08565	24.5
132.08955	1.8
133.06512	2.1
133.10124	28.3
134.10493	1.8
135.08102	3.2
135.11700	23.5
135.12675	1.4
137.09692	1.7
137.13252	8.0
141.06946	1.8
142.07828	3.3
143.08572	9.9
145.10120	39.6
146.10481	1.7
147.08044	2.9
147.11681	19.4
149.13269	11.5
151.11240	2.6
155.08568	2.9
156.09370	2.9
157.06508	4.0
157.10162	11.8
158.10889	1.8
159.08131	1.9
159.11699	29.4
159.30612	1.5
160.12498	2.6
161.09673	2.9
161.13266	17.2
163.11240	3.4
163.14799	10.0
165.07047	2.2
165.09126	3.1
166.07768	2.8
171.08102	4.5
171.11699	11.8
173.13268	28.2
175.14821	16.8
177.00609	1.7
177.16399	11.6
179.14288	9.0
181.10172	4.0
183.11673	1.9
184.08980	1.9
185.09622	4.6
185.13290	5.6
187.14824	15.0
189.12743	1.5
189.16374	18.8
191.17946	16.9
195.11630	1.7
197.09758	2.1
197.13339	2.7
198.14154	2.0
199.11205	28.6
199.14867	6.6
200.11696	2.5
201.16374	25.9
203.17982	22.5
205.15707	1.6
205.19617	4.2
207.17511	7.4
213.16443	5.1
215.17949	26.0
217.12340	5.6
217.15921	2.1
217.19553	8.0
219.17487	6.5
221.19160	1.6
225.16425	1.6
227.17993	5.9
229.19542	7.2
231.21216	2.7
233.19012	48.0
234.19452	2.0
241.19606	3.9
243.21222	3.7
247.20607	2.1
253.19614	3.5
255.21074	7.4
257.22586	2.6
267.21075	3.7
269.22754	6.0
271.20599	2.2
273.22186	4.8
281.22821	2.8
283.24289	3.2
285.22134	5.8
287.23807	2.1
299.23813	1.6
309.25809	1.8
363.30511	1.6
377.32080	4.1
405.20718	2.1
405.35229	16.8
423.21567	14.2
423.26968	2.8
423.36325	100.0
424.22134	2.9
424.36710	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03940	0.7
55.05502	2.3
57.07067	0.9
61.15590	0.7
67.05513	3.4
67.92908	0.7
69.07078	6.6
70.80852	0.7
70.81201	2.1
79.05490	1.7
81.07059	8.6
83.08607	2.1
87.21870	0.6
91.05460	1.1
91.29783	0.7
93.07031	6.8
95.04948	2.1
95.08612	13.4
97.10189	0.8
105.07031	4.2
107.08601	9.1
109.06490	1.3
109.10159	7.4
109.83958	0.7
111.11685	0.9
117.07037	0.9
119.08591	5.7
121.06490	1.8
121.10147	8.6
123.08060	1.5
123.11696	5.4
128.06256	0.8
131.08560	1.4
133.10150	5.6
135.08092	2.1
135.11714	4.3
137.13281	3.0
143.08556	0.8
145.10182	1.9
147.08116	1.0
147.11671	3.3
149.09644	1.3
149.13255	6.4
157.10156	1.6
159.11713	2.8
161.09619	1.1
161.13258	2.8
163.11256	0.9
163.14856	1.0
171.11745	1.9
173.13261	2.2
174.05841	0.7
175.11235	1.0
175.14835	2.9
177.16373	1.3
185.13268	1.0
185.28983	0.6
187.11211	1.0
187.14853	1.5
189.16420	3.1
191.17931	3.0
199.14862	1.6
201.12689	0.8
201.16423	1.6
203.17944	1.6
213.16341	0.8
215.17984	1.4
217.15892	2.2
217.19473	1.3
219.17418	3.0
227.17836	0.8
229.19577	1.1
231.17465	1.1
233.18994	1.2
241.19547	2.0
242.39110	0.7
243.20929	1.0
257.22745	1.1
259.20581	2.5
267.20929	1.2
271.20993	0.7
273.22104	1.1
285.22079	4.5
313.25485	0.9
321.25937	0.9
405.35352	4.9
423.36215	100.0
424.36438	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	423.3619
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03940	2.6
55.05511	9.7
55.17596	1.4
57.07061	4.8
65.03924	1.6
67.05177	1.6
67.05503	29.6
69.07066	23.4
70.64230	4.7
71.08625	2.3
71.86618	1.5
79.05484	22.1
79.15304	1.5
81.07055	49.1
83.08607	7.3
85.06555	3.0
91.04961	2.4
91.05482	29.0
93.07039	45.8
95.04951	1.7
95.08602	58.5
97.06495	3.0
97.10166	3.1
100.50341	1.6
101.01889	1.6
103.58736	1.3
105.07026	48.9
107.08591	44.0
109.06493	6.1
109.09460	3.1
109.10157	37.8
110.73396	1.7
111.08138	1.7
111.11754	2.1
117.07018	10.7
119.08577	34.0
121.10138	41.6
123.08070	8.5
123.11716	18.0
125.13228	1.5
129.06993	4.4
131.08549	21.4
133.10127	50.9
135.08002	3.2
135.11682	22.0
137.13223	7.1
143.08548	9.3
145.10123	24.1
147.11662	27.4
149.09535	2.0
149.13252	15.0
151.14803	2.0
157.10132	6.9
159.11690	21.9
161.13248	26.9
163.11134	1.6
163.14810	9.3
171.11676	7.3
173.13260	9.2
175.14841	16.9
177.16388	16.2
179.14288	14.0
185.13257	6.0
187.14813	6.9
189.16364	14.7
191.17975	6.7
197.13264	2.6
199.14819	7.6
201.16365	29.9
203.17949	18.8
205.15807	2.8
205.19510	2.7
211.14789	1.8
213.16287	2.7
215.17960	13.4
217.16074	2.3
217.19496	34.0
219.17451	5.7
225.16402	1.9
227.17943	4.5
228.77560	1.6
229.19432	4.3
231.17532	2.8
231.21036	3.8
233.18851	4.1
241.19453	2.4
243.21060	2.0
251.17885	1.7
253.19388	4.4
255.21043	4.6
281.22641	3.5
285.22028	1.5
291.72159	1.5
307.24023	2.3
321.25735	2.6
323.27408	1.6
331.26419	8.6
349.28745	4.4
367.29861	4.3
405.29840	1.8
405.35156	42.3
423.31000	23.0
423.36179	100.0
424.36456	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	423.3622
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
51.24387	2.9
55.05509	9.0
57.07068	4.3
60.86669	2.6
67.05499	18.3
69.07069	18.3
69.95683	2.5
70.55988	2.5
71.61421	3.3
79.05484	8.5
81.07053	42.9
83.08608	9.8
91.05457	6.7
93.07026	21.8
93.74686	2.4
95.08603	55.4
97.10168	3.5
98.53755	2.8
102.97935	2.5
105.07018	19.9
107.08604	35.2
109.06493	4.3
109.10151	43.3
117.06991	5.6
119.08570	25.2
121.10147	30.4
123.11707	16.2
129.06976	2.6
131.08591	8.9
131.35350	2.6
133.10132	17.5
135.11703	19.7
137.13263	8.6
143.08571	5.0
145.10115	16.5
147.11665	19.1
149.13235	11.7
157.10104	7.8
159.11707	13.5
161.13261	12.0
163.14830	9.0
169.10136	2.7
171.11691	4.0
173.13303	7.7
175.14757	7.1
177.16412	7.6
185.13268	5.1
187.14839	11.1
189.16412	10.5
191.17900	23.2
199.14851	4.2
201.16443	11.4
202.16533	3.3
203.17982	16.2
205.19553	8.1
213.16507	4.1
215.17966	9.5
217.19577	8.6
219.17490	9.0
227.17940	5.9
229.19534	5.0
231.17377	6.8
231.21161	3.4
233.18968	8.3
243.21143	4.4
267.21146	3.6
269.22665	4.4
285.22260	5.8
338.87604	2.8
355.58374	2.8
405.35321	14.9
408.45322	2.9
423.36252	100.0
424.36514	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	423.3622
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05516	13.2
57.07067	4.1
67.05496	12.2
69.07072	17.9
69.57780	3.5
69.58198	11.1
79.05500	11.7
81.07063	30.7
83.08614	7.1
91.05484	11.8
93.07050	25.1
95.08612	63.9
96.08956	2.1
97.10180	5.0
102.11682	2.0
105.07035	28.6
107.08602	49.0
109.10166	29.2
117.07001	3.4
119.07792	3.0
119.08579	35.9
119.44573	1.7
121.10150	35.5
123.08091	2.0
123.11716	12.8
123.12444	2.1
130.66495	1.9
131.08559	14.7
133.10130	29.3
135.11708	20.2
137.13271	5.1
143.08568	6.8
145.10129	25.8
147.11691	21.7
149.13298	11.3
152.14139	2.1
157.10153	6.4
158.10869	2.3
159.11676	23.9
161.13280	17.1
163.14816	14.1
171.11702	8.1
173.13264	19.3
175.14836	17.6
177.16399	13.3
179.14317	5.5
179.86465	2.1
185.13283	3.5
187.14833	31.1
189.16408	18.5
190.16649	2.3
191.18008	12.2
193.15828	2.4
197.13260	2.3
199.14850	6.5
201.16394	38.4
202.16600	1.9
203.17961	23.6
205.19484	3.5
207.17467	18.6
211.14749	2.6
213.16409	4.9
215.17953	36.8
217.19489	10.9
219.17473	5.9
225.16330	2.8
227.17929	8.1
229.19469	10.0
231.17586	2.5
231.21181	3.9
233.18999	2.8
241.19600	8.5
243.21118	8.2
253.19547	4.3
255.21112	4.0
257.22623	4.9
267.21008	2.6
269.22681	14.1
272.98746	2.0
273.22131	2.7
283.24167	4.2
285.22195	4.0
299.23743	2.4
342.72650	2.3
363.30453	2.8
387.18768	1.9
405.35193	31.1
423.36218	100.0
424.36603	7.9
436.28903	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	glochidone
Peak:m/z	Relative Intensity
53.03938	2.2
55.05503	7.0
57.07051	3.6
67.05504	16.4
69.07068	13.7
71.08634	2.0
76.43293	1.3
79.05492	9.7
81.06586	2.1
81.07053	32.5
83.08623	7.9
89.50262	1.3
91.05480	9.3
93.06474	1.7
93.07038	23.2
93.62469	1.2
95.04963	1.8
95.08605	63.6
97.02883	2.4
97.10148	4.0
98.21515	3.6
105.07034	19.4
107.08589	30.3
109.06506	1.4
109.09453	2.6
109.10151	31.2
111.08062	2.5
111.11704	1.5
117.06989	3.7
119.08579	26.3
119.09357	1.4
121.10135	26.0
123.08076	16.6
123.11681	11.8
124.66156	1.3
127.61771	1.3
131.08560	8.6
133.10120	20.5
135.08040	2.1
135.11685	18.0
137.09575	2.2
137.13245	7.4
143.08549	3.1
145.10114	15.3
147.11697	13.1
149.09613	1.3
149.13293	9.4
151.11212	1.6
155.08528	2.9
157.10132	7.0
159.11682	16.4
161.13229	12.0
163.14828	6.3
171.11678	4.6
173.13260	14.4
175.14810	11.2
177.12720	1.4
177.16364	7.2
179.14330	12.2
183.11667	1.8
185.13258	4.4
187.14830	9.6
189.16347	10.5
191.17903	12.6
197.13165	1.5
199.14819	3.1
201.16455	8.5
203.17978	9.7
205.15854	3.0
205.19492	2.5
207.17422	6.1
213.16414	3.3
215.17940	11.0
217.15965	1.7
217.19508	5.3
219.17384	3.1
227.17993	3.4
229.19487	4.5
229.71196	1.6
233.18925	3.2
239.18007	2.1
241.19470	2.1
243.21027	4.7
247.20529	2.0
253.42796	1.4
255.21024	3.8
257.22610	2.4
267.72256	1.5
269.22559	4.3
283.24411	2.5
285.22119	3.8
309.25720	5.4
327.26846	4.2
331.26187	7.0
349.27164	1.6
405.35104	12.9
423.30896	31.4
423.36148	100.0
424.31107	4.8
424.36618	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	9.9
67.05494	26.2
69.07070	32.2
71.04967	10.4
71.60291	7.3
79.05508	13.6
81.07056	55.3
83.08607	13.5
84.15595	5.3
88.69625	5.6
91.05474	19.8
93.07063	39.8
95.08623	60.1
103.56142	6.7
105.07030	36.6
107.08598	45.1
109.10170	41.0
113.00051	8.3
117.06966	9.4
119.08566	39.6
121.10107	34.6
123.11700	26.6
123.89950	6.2
125.20075	6.7
127.11219	13.6
131.08575	17.4
133.10114	28.4
135.11717	22.5
137.13263	6.2
137.26326	5.8
143.08472	8.6
144.09288	6.4
145.10115	24.3
147.11679	27.8
149.13290	12.5
157.10086	9.1
159.11699	27.2
161.13248	24.5
163.14899	10.0
171.11740	11.2
173.13292	16.8
175.14839	13.4
177.16415	8.9
180.18213	5.0
185.13324	10.0
187.14874	12.9
189.16373	12.7
192.01335	5.7
199.14853	11.5
201.16376	18.9
203.17978	12.3
211.14786	5.7
213.16286	11.2
215.17955	11.4
227.17950	12.5
229.19507	9.4
245.52672	6.5
261.64609	6.5
267.21152	5.7
283.24176	12.4
289.63556	6.7
322.21210	6.3
323.19751	22.1
405.35385	12.8
423.25131	90.1
423.30750	9.9
423.36282	100.0
424.25378	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	423.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.8
57.07078	2.4
58.33464	0.9
64.07113	1.0
67.05502	7.4
69.07068	9.0
70.01547	3.0
70.01962	2.0
71.29639	0.9
79.05481	5.3
81.07059	16.1
83.08607	2.9
85.10208	1.0
85.91882	0.9
91.05476	7.4
93.07040	13.6
95.04976	1.5
95.08607	27.7
97.06535	1.8
97.10174	2.1
98.20816	1.2
103.04084	0.9
105.07034	26.6
107.04944	1.2
107.08604	18.2
109.02860	0.9
109.10162	11.7
111.04430	1.2
111.11701	1.1
117.07006	4.1
119.08580	36.9
120.08902	1.2
121.10137	15.1
123.08090	1.0
123.11732	5.8
128.06288	1.2
129.07008	3.6
130.07777	2.8
131.08569	74.0
132.08867	2.0
133.10127	23.8
135.11662	6.6
137.13187	1.3
142.07747	1.5
143.08571	6.6
144.09428	1.0
145.10126	100.0
146.10435	2.0
147.08034	1.3
147.11688	14.5
149.13287	9.1
153.09119	2.2
156.09332	1.1
157.10112	6.0
158.10872	1.3
159.11688	24.3
160.12056	1.2
161.09634	1.0
161.13271	13.5
163.14807	9.9
164.15038	1.1
167.10631	1.2
171.11749	5.6
173.13264	82.4
174.13673	2.1
175.14841	36.2
176.15158	1.6
177.16406	9.4
185.09720	1.2
185.13246	4.7
186.13536	1.4
187.14839	19.0
188.15187	1.2
189.16397	31.8
190.16670	1.5
191.18007	6.2
193.15810	1.4
193.75027	1.1
199.11150	3.0
199.14839	16.7
200.15138	1.8
201.16399	16.0
203.17958	29.0
205.19485	2.1
207.17464	1.2
211.14845	1.2
213.16373	5.9
215.17931	6.0
217.15814	1.4
217.19534	1.5
219.17488	1.0
219.21111	6.0
221.15382	2.1
225.16293	1.2
227.17950	4.5
229.19437	2.7
233.15425	1.5
235.16820	5.2
247.16885	2.7
249.18478	4.0
261.18741	1.3
261.29074	1.1
267.21216	1.1
354.86557	1.1
377.32019	27.2
405.31494	2.3
423.21530	2.4
423.32468	38.9
424.32904	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.6
57.07070	3.6
67.05508	18.5
69.03417	2.3
69.07069	16.2
69.89863	2.6
69.90272	6.6
71.08633	1.8
79.05507	11.6
81.03439	1.6
81.07061	29.5
81.39978	1.3
83.04971	1.1
83.08627	6.1
91.05487	16.5
93.07048	21.4
94.01543	1.3
95.04960	4.5
95.08608	49.3
97.06513	3.6
97.10176	5.0
98.20780	1.7
105.07033	38.0
107.08596	34.4
108.08869	1.7
109.06527	1.4
109.10165	27.3
111.04477	1.6
111.08079	2.3
111.11714	3.1
115.05441	1.6
116.06301	2.1
117.07022	6.0
119.08586	45.4
121.06503	1.4
121.10145	26.6
122.48421	1.6
123.08060	1.6
123.11732	9.9
128.06213	1.7
129.07045	6.3
130.07806	3.6
131.08572	77.4
133.10136	30.7
135.08075	3.2
135.11702	13.4
142.07790	3.3
143.08563	9.6
144.09325	2.9
145.10132	100.0
146.10446	1.8
147.11699	22.6
149.02374	1.7
149.09715	1.7
149.13252	14.9
151.14862	1.8
153.09145	3.0
157.06528	1.7
157.10118	9.7
158.10725	2.0
159.11697	27.5
160.12250	1.6
161.09645	1.5
161.13295	16.2
163.14856	12.9
169.10133	4.0
171.08054	2.3
171.11679	6.5
172.40623	1.4
173.13271	99.7
174.13667	1.8
175.11397	1.9
175.14827	41.2
177.16396	12.1
179.14259	1.3
183.11679	3.2
185.09645	1.8
185.13242	6.3
187.14828	22.9
188.15254	1.5
189.12781	2.4
189.16403	31.7
191.14334	2.1
191.17961	10.4
193.12305	1.6
197.13249	2.8
199.11194	10.3
199.14857	18.8
199.80803	1.3
201.16420	17.8
203.17967	35.5
205.19534	4.1
207.17403	2.6
209.13385	1.6
213.16417	6.0
215.17917	10.3
217.12289	2.3
217.19521	4.0
219.21054	5.6
221.19092	1.9
225.16269	1.6
227.17903	4.1
229.19516	3.3
231.17651	1.4
233.19029	5.2
235.16974	4.1
239.17940	2.4
241.19534	1.6
247.17027	4.0
249.18530	6.8
257.22897	1.5
265.21655	1.7
313.21552	1.9
377.31985	25.2
405.31018	3.0
405.35678	1.4
423.21469	4.5
423.31888	37.8
423.36829	7.4
424.32419	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.2
57.03435	1.7
57.07076	3.7
63.31376	0.6
65.49081	0.5
65.70058	0.6
67.05505	7.7
69.03433	0.8
69.06724	1.0
69.07071	14.4
69.55230	4.3
71.04971	2.3
71.08630	2.9
71.21369	0.6
76.42381	0.5
78.21276	0.6
79.05494	4.5
80.26469	0.5
81.07056	14.0
82.60405	0.6
83.04965	2.6
83.08626	4.0
85.06531	2.1
89.53878	0.6
89.56532	0.7
91.05471	5.0
93.07045	8.9
95.04957	2.0
95.08608	12.4
97.06530	8.2
97.10161	2.2
97.42432	0.6
99.08044	1.2
105.07026	5.4
107.08595	10.1
109.06518	11.9
109.10152	7.5
111.08059	2.0
117.06982	1.0
119.08573	5.8
121.10125	5.7
122.07296	1.5
123.08070	32.8
123.11681	3.4
125.09612	1.4
131.08551	2.4
133.10130	4.6
135.08078	6.8
135.11694	4.5
137.09624	2.6
137.13239	0.7
143.08562	0.7
145.10133	2.7
147.11685	3.1
149.09622	1.9
149.13260	1.9
151.11171	1.9
155.08406	0.7
157.10143	0.8
159.11728	1.6
161.09602	0.7
161.13232	2.5
165.12750	0.9
167.14380	0.9
173.13261	1.7
175.14832	1.1
177.12767	1.9
177.16310	0.7
179.14311	42.5
180.14635	1.8
189.16376	1.1
193.15862	1.2
195.63364	0.6
201.16188	0.7
205.15874	1.4
205.19595	1.5
219.21002	0.9
228.44995	0.6
233.18933	0.8
237.22264	0.9
247.20552	0.9
263.20154	1.1
275.20151	3.1
289.25406	0.7
293.21127	1.5
303.26755	1.7
313.25208	0.7
331.22336	1.1
331.26300	21.7
332.26599	1.1
349.23413	1.1
349.27271	6.3
367.24765	1.0
405.29871	1.0
423.31046	100.0
423.35663	4.8
424.31543	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58678	0.5
53.03933	0.7
55.01860	1.0
55.05508	4.0
57.03421	1.8
57.07082	2.7
65.03952	0.6
67.05501	7.7
69.03422	0.7
69.07067	7.0
70.34945	1.8
71.04994	0.9
71.08635	2.4
79.05499	5.6
81.07053	13.7
83.04964	1.3
83.08622	3.4
85.06531	1.7
91.05476	4.3
93.07045	7.5
95.04970	0.7
95.08607	11.9
97.02902	0.9
97.06526	2.0
97.10162	1.2
99.08097	1.2
105.07023	5.0
107.08594	8.2
109.06514	11.7
109.10153	5.5
111.08095	1.5
116.68334	0.4
117.07014	0.7
119.08578	6.8
121.10131	5.4
122.07265	1.1
123.08067	33.0
123.11682	2.5
131.08553	1.5
133.10114	4.5
135.08040	6.6
135.11671	3.8
137.09622	2.5
137.13278	1.6
145.10156	3.0
147.11670	3.3
149.09625	1.6
149.13272	2.5
151.11183	0.7
159.11691	2.7
161.13332	2.5
163.11255	0.7
165.12717	1.4
167.14330	0.7
169.10080	0.6
173.11871	0.8
173.13297	1.6
175.14848	1.7
177.12752	2.0
177.16362	0.7
179.14304	39.0
180.04892	0.4
187.14862	0.7
189.16380	1.1
191.14285	0.7
191.17981	0.6
193.15869	1.0
194.41019	0.4
201.16370	1.6
203.17963	0.9
205.15906	1.9
207.17444	0.9
215.17972	1.4
227.17915	0.4
233.19025	1.0
239.27631	0.4
247.20735	0.6
255.20966	0.6
256.69394	0.5
261.22183	0.6
262.23300	0.5
263.20139	1.1
275.20132	3.5
279.85886	0.4
293.21152	2.0
299.67557	0.5
303.26703	2.4
331.26300	24.6
332.26617	1.2
349.27319	5.1
367.24887	1.0
405.29959	1.6
405.34973	0.6
423.31067	100.0
423.35809	5.2
424.31479	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.05514	11.3
57.03428	2.7
57.07076	4.6
59.06279	0.8
65.03938	1.1
67.05502	28.8
69.03424	1.9
69.07071	13.7
69.92468	2.0
69.92870	4.0
71.04977	2.4
71.08629	1.5
75.04464	1.2
79.05486	13.9
81.03446	1.2
81.06577	1.5
81.07051	25.7
83.04974	2.8
83.08619	8.4
85.06564	1.5
91.05483	10.8
93.07036	20.2
95.04946	2.0
95.08607	32.4
97.02891	4.1
97.06527	3.7
97.10142	2.7
99.04507	1.0
99.08063	1.3
104.25566	0.9
105.07021	15.4
107.08582	21.4
109.06525	9.2
109.10153	25.2
111.04444	1.0
111.08074	3.4
111.11749	1.1
114.07224	0.9
117.07008	2.9
119.08578	17.3
121.06492	1.1
121.10139	17.0
123.08063	37.8
123.11720	6.6
125.97024	0.9
127.03951	1.5
131.08568	6.8
133.10123	13.7
135.08067	7.7
135.11694	9.2
135.65436	1.0
137.09636	4.0
137.13249	3.1
143.08537	1.2
145.10124	8.4
147.11685	7.9
149.09602	2.7
149.13271	7.4
151.11180	1.2
157.10112	2.8
159.04391	1.4
159.11691	10.7
161.13255	6.3
163.11189	1.0
163.14832	3.7
165.12791	1.0
168.45877	0.9
171.11670	3.1
173.05991	1.5
173.11758	3.1
173.13255	5.7
175.14832	4.4
177.12743	5.3
177.16396	3.3
179.14313	24.3
185.05931	1.5
185.13223	1.5
187.14780	7.6
188.04773	1.0
189.16367	8.0
191.14241	1.1
191.17950	2.8
193.15852	1.2
195.13826	1.4
199.14810	1.9
201.05473	1.2
201.16383	9.3
202.06178	2.2
203.07013	6.8
203.17973	7.2
205.15985	2.0
207.17487	5.0
213.16447	1.2
215.07051	1.4
215.17958	10.8
217.19534	4.4
219.17499	1.7
227.17964	1.9
229.19472	1.7
233.18990	3.4
241.19643	1.2
243.21114	2.8
245.22743	1.2
247.20538	1.1
253.19490	2.0
255.20987	1.6
261.22110	1.2
263.19998	1.3
267.21115	1.4
269.22678	4.0
273.22070	1.4
275.20065	4.0
283.24149	1.7
303.26721	4.7
311.26059	1.6
326.69122	1.1
331.26337	29.2
332.26691	1.7
349.27402	2.2
367.24866	2.7
405.30396	1.4
405.35175	8.8
423.25690	20.9
423.31027	100.0
423.36282	22.3
424.25909	2.3
424.31348	6.7
441.15030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.6
55.05519	42.4
57.07067	15.0
67.05502	79.1
69.03413	21.5
69.07068	32.6
70.04711	37.7
71.08627	8.7
78.13931	6.8
79.05504	48.3
81.03413	33.8
81.07059	100.0
83.08619	23.7
85.02890	12.8
91.05482	67.6
93.07047	71.4
95.04967	17.5
95.08606	89.3
97.02890	25.8
105.07036	55.5
107.05022	11.2
107.08590	49.6
107.79742	7.6
109.06541	12.8
109.10181	56.0
111.04496	13.7
111.76500	7.4
117.07038	18.9
119.08605	52.4
121.10140	42.3
123.08048	16.0
123.11718	17.7
129.05486	9.0
129.07004	13.2
131.08565	44.1
133.10141	36.7
134.49071	7.2
135.08047	16.0
135.11673	31.8
137.06010	10.4
141.07040	11.8
143.08560	19.3
145.10152	47.3
147.08069	14.1
147.11697	47.6
149.09604	14.0
149.13237	24.5
151.07690	10.0
157.10123	16.0
159.11694	28.6
161.13278	22.1
165.60927	7.7
166.68811	8.8
169.10223	11.4
171.11713	21.8
173.13280	11.5
175.14838	11.8
175.28185	6.7
179.14317	12.3
185.13271	13.4
187.11208	8.5
187.14763	12.3
195.72256	6.7
199.14737	7.8
205.12276	9.2
236.88574	6.9
261.22147	16.2
303.23080	18.7
327.23203	10.8
369.24240	33.5
387.25253	39.4
405.26443	51.9
423.26807	23.4
423.31635	36.1
423.36319	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
55.01872	7.3
55.05508	41.0
57.03429	10.6
57.07068	5.1
59.60233	3.2
59.83132	3.6
62.15847	3.2
65.03936	5.1
67.05508	78.0
69.03436	33.9
69.07064	40.7
71.04986	11.0
73.02893	3.9
73.87132	3.8
79.05058	6.0
79.05495	55.5
79.05918	7.2
81.03419	35.5
81.07063	100.0
83.04951	4.6
83.08636	19.7
85.02898	16.7
85.06535	5.9
90.64240	4.0
91.05487	53.3
93.07047	90.3
93.30579	3.8
95.04976	20.1
95.08057	6.7
95.08611	99.0
97.02905	16.2
97.06522	11.3
97.10173	10.5
99.04446	10.5
103.03945	6.8
104.91573	3.4
105.07032	70.9
107.04945	9.4
107.08595	73.1
109.02906	9.0
109.06557	19.0
109.07170	3.6
109.10162	41.5
111.04450	6.2
111.08089	15.7
111.11734	6.6
113.00001	11.1
115.03968	3.5
117.07049	21.6
119.08586	60.5
121.06487	13.0
121.10143	55.4
123.08031	19.2
123.11723	17.6
125.09639	8.8
127.03896	6.6
129.06999	15.7
131.08554	37.6
133.06514	8.9
133.10135	45.5
135.07993	9.3
135.11681	37.0
137.13251	4.9
141.06998	5.1
142.07755	7.3
143.08571	21.5
145.06448	4.9
145.10144	38.0
147.08022	5.5
147.11679	36.8
149.09587	7.7
149.13303	22.9
155.08542	7.2
157.06557	4.8
157.10144	18.5
159.08078	4.3
159.11719	40.0
161.09648	6.0
161.13286	23.4
163.11082	5.4
163.14798	7.9
169.02605	4.4
169.10059	5.4
171.11641	19.8
173.09624	7.3
173.13237	29.1
175.14865	9.1
177.09058	4.5
177.12733	8.1
177.16357	8.0
179.14302	14.6
183.11690	10.2
185.09592	5.7
185.13196	15.4
187.11179	5.1
187.14813	14.7
189.12790	4.8
189.16391	17.0
191.14389	5.0
191.17949	7.4
195.11719	7.9
197.13261	7.9
199.14844	10.2
201.16331	18.0
203.17960	22.0
205.15985	7.3
205.19525	5.1
209.13368	4.1
211.14832	8.2
213.16531	5.3
215.17960	13.7
217.15898	4.2
217.19492	11.3
219.17470	6.1
221.15356	4.5
227.18089	5.7
229.19527	5.6
241.19482	7.9
243.21030	7.9
255.20978	5.2
259.20572	7.1
261.22147	15.7
273.22028	6.9
277.21677	7.0
285.21915	4.8
289.21655	9.5
291.23145	7.0
301.21686	3.9
303.23193	15.6
311.25906	10.2
315.22989	5.8
327.23236	5.0
331.22488	5.0
331.26239	5.2
341.24542	7.9
351.23053	6.1
359.25974	4.3
369.24158	28.0
387.25336	29.6
405.26453	39.1
405.34976	12.8
423.26352	19.2
423.31595	12.6
423.36273	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	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87951	3.1
53.03935	10.7
55.01853	7.8
55.05511	26.1
56.05894	3.0
57.03434	5.1
57.07060	4.7
65.03954	4.1
67.05505	75.8
69.03425	13.2
69.03813	3.4
69.07079	24.8
71.04988	10.2
71.60990	5.9
73.02911	7.6
75.93207	3.3
79.05492	63.8
81.03422	11.8
81.07056	75.5
83.04980	5.5
83.08611	14.5
85.02907	7.9
89.06001	3.9
91.05486	42.9
93.06470	5.8
93.07046	81.7
95.04951	10.5
95.08044	6.5
95.08602	62.7
97.02279	6.6
97.02893	100.0
97.06564	6.1
97.10149	4.9
99.04462	50.4
99.08059	4.3
105.07034	34.9
107.08591	43.4
109.02869	14.9
109.06512	11.0
109.10139	34.0
111.04380	4.2
111.08122	5.6
117.07016	13.2
119.08576	24.9
121.10144	50.9
123.08060	13.6
123.11724	12.5
127.03914	34.5
129.06993	3.3
131.08563	19.2
133.10141	21.5
135.08037	5.0
135.11681	29.7
136.66847	3.4
137.13281	5.1
145.04964	18.5
145.10089	18.8
147.11691	13.5
149.13263	17.6
159.11665	11.3
161.13252	11.5
163.11206	3.2
163.14880	5.9
173.11882	3.4
173.13274	10.3
175.14835	9.7
179.14340	25.5
183.61440	3.7
187.14835	6.8
189.16415	4.1
197.13280	3.6
201.16524	4.7
203.17984	5.6
205.15953	5.0
243.21060	12.5
261.22134	35.8
331.26364	13.2
423.31085	39.0
423.36548	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.2
55.05516	36.9
57.03437	7.2
57.07064	5.7
67.05508	100.0
67.76473	5.3
69.03430	37.5
69.07074	49.7
71.04980	11.9
71.48467	11.4
79.05497	59.2
81.03427	29.1
81.07062	99.9
82.64773	4.8
83.04988	24.7
83.08626	20.7
85.02900	16.2
91.05499	57.0
93.07040	94.6
95.04983	14.7
95.08624	71.9
95.09184	8.6
97.02894	11.8
97.06530	11.0
97.10201	7.3
99.04501	10.2
99.08109	7.5
105.07040	60.2
107.08599	56.9
109.02913	7.3
109.06535	16.2
109.10157	51.4
111.04408	6.3
111.08116	7.6
114.40691	4.9
117.07030	23.8
119.08595	48.7
121.06524	7.0
121.10143	32.9
123.08096	8.4
123.11723	14.9
127.03922	6.9
129.07010	11.7
129.12715	7.8
131.08578	54.2
133.06560	5.3
133.10156	42.8
135.08028	7.5
135.11688	30.4
141.06970	7.2
143.08607	15.2
145.10146	65.7
147.08101	8.2
147.11696	29.4
149.09666	6.7
149.13277	18.7
157.10181	10.6
159.11713	34.5
161.09665	8.9
161.13258	18.8
163.14867	8.3
169.10057	6.7
171.11745	8.3
173.11766	8.4
173.13239	56.4
175.14859	16.2
185.13318	13.4
187.14832	14.0
189.12698	6.4
189.16405	8.1
191.18073	7.3
199.11154	9.5
199.14914	13.7
201.16467	6.3
211.13011	5.7
215.17952	6.4
259.20728	7.1
261.22150	29.1
277.21866	5.8
303.23038	11.3
345.24475	6.4
369.24341	17.2
377.31720	6.6
387.25522	25.8
405.26471	24.4
423.27087	38.9
423.32205	10.0
423.36774	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	423.2741
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03941	6.1
55.01861	7.5
55.05508	30.4
55.89051	3.8
56.97995	3.5
57.03429	8.8
57.07076	5.0
59.04992	4.2
65.03932	5.6
67.05172	7.2
67.05509	100.0
69.03426	23.4
69.07088	21.6
70.88103	7.5
70.88447	8.8
71.04991	11.4
71.08629	4.6
73.02904	5.0
79.05499	49.9
79.84158	3.8
81.03425	30.4
81.07055	86.5
83.04983	24.7
83.08617	14.6
84.88372	4.1
85.02897	12.2
85.06547	7.4
88.65140	4.5
91.05475	47.7
93.07045	68.6
95.04963	15.8
95.08615	75.1
97.02897	7.7
97.06528	10.2
97.10175	6.2
99.04460	10.5
99.08071	5.9
105.07035	50.2
107.08596	53.2
109.02850	8.4
109.06508	9.3
109.10141	41.6
111.04447	9.3
111.08084	8.0
111.11812	3.7
115.05372	4.1
117.07037	22.1
119.04943	4.4
119.08574	49.4
121.06474	4.6
121.10155	41.0
123.08051	17.4
123.11704	7.9
129.06990	17.5
131.08528	34.7
133.06535	7.4
133.10159	29.6
135.08034	10.1
135.11719	22.2
137.09631	5.1
143.08546	16.9
145.10101	43.2
147.07950	5.8
147.11684	22.1
149.09637	11.6
149.13237	19.0
155.08525	7.5
157.10092	13.3
159.11665	25.0
161.09636	8.8
161.13269	18.9
163.03906	12.1
163.11201	6.8
163.14859	8.0
164.04422	4.3
169.10081	5.0
171.08081	5.8
171.10228	4.2
171.11626	8.0
173.11853	5.8
173.13257	17.4
175.14850	7.3
179.14267	11.1
180.36078	3.8
183.11719	5.2
184.07397	4.8
185.13268	14.0
187.14841	6.2
189.16440	4.9
191.18053	5.0
199.11243	8.1
199.14810	12.2
201.12874	6.6
209.13170	5.2
243.21175	6.3
259.20523	10.4
261.22156	21.6
289.21698	7.1
291.23215	5.2
303.23166	12.3
315.23154	5.4
327.23199	6.4
331.26355	11.3
351.23022	6.8
369.24194	24.7
387.25363	24.3
405.26456	27.8
423.27267	31.4
423.31406	22.4
423.36752	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.6
54.41929	1.9
55.01876	14.0
55.05512	31.3
56.96553	5.6
57.03429	6.5
57.07069	4.5
59.04990	3.7
65.03925	5.1
67.05504	100.0
69.03430	30.9
69.07066	22.8
71.05000	13.2
71.08624	2.2
71.60473	2.5
71.87641	2.0
73.02921	4.2
75.22632	2.0
77.03916	2.5
79.05494	83.3
81.03419	28.8
81.07058	94.6
83.04980	6.3
83.08626	11.2
85.02908	7.0
85.06544	4.2
91.05480	49.7
93.07047	93.3
95.04984	11.4
95.08607	76.1
97.02893	89.2
97.06506	4.8
97.10157	4.9
99.04456	37.0
99.08102	2.5
101.02382	2.5
105.04514	2.2
105.07032	43.1
107.08599	52.8
109.02882	18.6
109.06515	5.4
109.10158	37.4
111.04431	5.0
111.08111	2.9
113.09653	2.6
115.05415	2.2
115.34223	2.1
117.07025	16.3
119.08594	40.5
121.06540	2.5
121.10144	62.0
123.08076	6.8
123.11724	13.6
125.09648	3.0
127.03919	51.0
129.07004	5.1
131.04926	4.6
131.08575	29.0
133.06474	3.0
133.10132	32.0
135.08051	3.0
135.11696	35.9
137.09631	4.0
137.13316	2.8
141.06992	2.5
143.00182	3.1
143.08533	5.3
145.04987	6.3
145.06526	3.6
145.10106	26.0
147.08060	2.6
147.11713	22.3
149.09674	2.5
149.13243	17.0
151.11157	2.6
155.08521	4.4
157.10103	5.7
159.08093	2.7
159.11700	20.3
161.01299	11.4
161.13266	18.3
163.14822	8.4
169.10129	4.3
170.96887	2.1
171.11729	3.1
173.09628	4.6
173.13235	18.6
175.14841	8.1
177.16379	4.5
179.02309	5.2
179.14355	4.4
183.11644	2.4
185.13310	3.6
187.11241	4.6
187.14816	9.8
189.12686	3.0
189.16432	7.5
191.17929	2.3
201.12764	2.7
201.16414	4.7
206.48116	2.8
215.18031	2.6
217.19553	3.5
231.20964	2.6
241.19531	3.8
243.21140	15.3
259.20587	9.1
261.22159	49.8
269.22672	3.0
320.21426	2.2
321.22101	2.5
329.24594	5.5
339.23264	7.2
342.18192	2.0
357.24310	8.7
369.24130	4.1
387.25162	2.2
405.34857	2.4
423.27222	8.2
423.31882	3.3
423.36249	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03941	8.9
55.01873	8.2
55.05507	20.4
57.03426	6.7
57.07071	7.8
60.06020	3.8
65.03926	5.5
67.05506	79.1
67.40910	3.0
69.03423	30.9
69.07073	35.9
71.01342	3.3
71.05002	7.8
71.58701	4.7
79.05497	69.7
81.03429	30.4
81.07059	100.0
81.90553	3.5
83.04981	13.5
83.08632	17.9
85.02914	18.2
85.06532	6.5
89.71101	4.7
91.05477	53.8
93.07040	82.9
95.04973	19.8
95.08610	78.2
97.02897	22.5
97.06509	13.4
97.10147	9.0
98.89414	3.7
99.04449	9.2
103.05508	4.2
105.07024	56.1
107.04945	11.5
107.08601	41.7
109.02918	9.2
109.06512	15.4
109.10162	32.0
111.04449	10.3
111.08092	6.9
117.07001	28.4
119.08585	51.2
121.06557	6.8
121.10143	36.9
123.04479	4.4
123.08076	14.8
123.11724	15.7
125.09627	4.0
127.03895	6.1
128.06314	3.8
129.06985	15.3
131.08557	34.4
133.06456	5.6
133.10109	31.4
135.08035	9.1
135.11690	23.4
139.11154	4.0
141.07063	5.7
143.08565	14.4
145.06447	7.8
145.10101	27.3
147.08028	6.1
147.11650	23.0
149.09607	5.1
149.13255	9.1
151.07587	4.4
155.08530	7.3
157.10091	14.5
159.11685	24.2
161.13245	23.6
167.43297	3.6
169.10156	6.1
171.11700	12.6
173.13264	14.2
175.11124	5.7
175.14827	5.4
179.14354	5.6
183.11694	5.4
185.13257	4.3
187.14821	7.2
189.12772	4.4
193.12292	5.4
197.13281	7.0
201.12880	4.5
213.12863	3.7
233.15414	4.8
241.19402	4.5
259.20624	12.3
261.22119	10.0
277.21637	4.6
283.20554	3.8
285.22052	5.0
288.05896	4.3
291.23303	8.2
301.21573	5.3
303.23203	16.8
315.23111	5.3
345.24356	5.5
351.23206	10.2
359.25864	4.9
369.24283	20.4
387.25391	31.7
405.26364	34.9
423.27094	22.2
423.36487	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	423.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56029	0.6
54.45599	0.5
67.05492	1.1
69.07066	1.2
70.12736	0.5
70.13970	2.2
71.20676	0.5
79.05491	0.9
81.07041	1.6
87.14075	0.5
93.07044	0.9
95.08594	1.0
105.07037	1.4
106.01144	0.5
107.08611	1.3
109.10173	1.4
114.41616	0.5
119.08587	0.9
121.10163	1.6
133.10156	1.2
135.11693	0.9
145.10126	0.9
147.11658	0.6
158.96219	0.5
159.11710	0.8
161.13274	0.9
172.53502	0.5
175.14859	0.7
201.16406	0.6
201.92188	0.5
203.17928	0.7
289.47000	0.5
323.19846	19.3
323.74399	0.5
324.20346	0.9
341.20953	2.2
364.22510	4.8
405.35559	0.6
423.25089	100.0
423.36765	2.1
424.25290	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	423.2509
Annotation	PM-94128
Peak:m/z	Relative Intensity
64.27396	1.0
67.05501	2.7
69.07052	1.0
71.08702	0.8
71.49876	1.8
79.05483	1.5
81.03413	1.2
81.07059	3.3
83.08612	1.0
91.05460	1.1
93.07043	1.8
95.08599	3.9
105.07025	2.1
107.08601	2.5
109.10199	0.8
112.72184	0.9
119.08580	2.5
121.10134	1.8
131.08577	0.9
133.10130	1.1
143.08644	0.9
145.10062	1.3
147.11688	1.6
159.11684	1.6
163.14832	0.9
200.46559	0.9
323.19833	38.5
341.20926	6.6
344.80267	0.8
364.22501	8.7
423.25067	100.0
424.25378	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	423.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01888	2.3
55.05514	18.8
55.13126	1.3
57.03419	1.5
57.07073	3.1
61.01156	7.9
62.99084	7.0
63.50536	1.4
65.03954	1.9
67.05503	25.7
69.03419	2.4
69.05244	1.3
69.07072	16.0
70.17904	6.7
77.00632	2.6
79.05498	17.6
81.03425	5.6
81.06577	2.8
81.07060	44.7
83.04974	3.5
83.08611	7.6
85.06586	1.5
91.05478	23.6
93.07051	41.2
94.54538	1.3
95.04974	6.2
95.08608	100.0
96.08925	1.7
97.02930	1.6
97.06536	3.8
97.10175	4.7
98.21443	1.7
103.05462	1.3
105.00093	40.8
105.06476	0.9
105.07037	41.3
107.04948	5.4
107.08595	57.4
109.02893	2.6
109.05846	1.3
109.06519	6.9
109.10155	46.9
111.04453	7.0
111.11757	2.0
115.05497	2.2
116.62036	1.3
117.07010	7.3
119.08586	44.6
121.06512	2.0
121.10143	43.4
122.03726	1.4
122.10448	1.6
123.01130	44.8
123.04464	3.8
123.08101	3.6
123.11712	16.4
125.06022	6.4
128.06247	3.7
129.07019	6.9
130.07813	1.2
131.08566	23.6
133.06548	3.0
133.10135	36.9
135.08134	2.5
135.11697	28.8
137.05977	19.3
137.09639	1.9
137.13281	4.5
141.07063	2.6
142.07788	3.3
143.08536	12.3
144.09444	2.1
145.06462	2.3
145.10130	34.5
147.08055	2.3
147.11702	22.2
149.13255	12.9
151.07536	3.9
155.08556	3.2
156.09378	2.4
157.06589	4.2
157.10123	17.7
159.08115	1.7
159.11681	26.0
159.12845	2.2
160.12540	1.7
160.80537	1.4
161.05927	7.8
161.09662	6.4
161.13246	20.2
163.07558	1.7
163.11212	1.7
163.14836	7.9
165.07166	1.5
165.09117	2.9
165.12697	1.5
166.07747	1.8
167.10725	1.9
169.10139	7.2
170.10861	1.6
171.08109	4.2
171.11678	14.4
173.09656	4.0
173.13258	22.6
175.14833	13.3
177.09068	2.1
177.16428	4.7
179.10762	6.2
181.10156	4.6
183.08000	2.3
183.11775	4.5
185.09673	7.5
185.13260	10.7
187.11157	7.6
187.14812	12.5
189.09163	3.5
189.12790	3.2
189.16425	10.8
191.10750	3.1
191.16484	1.7
191.17963	9.5
193.12335	1.5
197.09702	2.4
197.13319	2.9
199.07552	3.7
199.11177	32.7
199.14799	9.6
201.12836	2.9
201.16402	13.3
202.07785	2.0
203.10730	2.6
203.14128	2.0
203.17978	16.1
205.12291	7.0
205.15881	2.1
205.19604	3.3
207.13814	1.6
211.11053	1.7
211.14862	2.6
213.12834	3.9
213.16420	3.4
215.14513	1.6
215.17972	11.7
217.12233	7.6
219.13898	4.3
219.17500	2.9
223.78911	1.5
225.16484	2.5
227.14322	3.6
227.17978	3.7
229.19647	2.6
231.08176	4.3
231.13791	7.3
233.15508	1.5
233.19031	22.7
239.18056	4.9
241.19534	4.0
243.21178	4.2
245.15450	6.2
248.08255	2.8
253.19482	2.2
255.21159	7.6
257.19037	2.0
258.06689	1.6
259.07565	2.3
259.16974	2.3
259.20813	1.5
263.10831	2.3
265.19553	2.2
267.21103	1.9
269.22552	2.6
271.20508	2.6
275.91348	1.4
276.07855	1.5
283.20645	10.0
283.23471	1.6
285.22223	1.7
291.10193	7.9
299.20099	3.7
301.21619	72.3
302.22168	4.0
309.25873	1.8
317.21298	4.8
323.12784	3.7
377.32080	2.0
405.35135	8.1
423.21570	14.5
423.36362	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
53.03934	2.9
55.01868	3.2
55.05514	3.6
57.03421	1.1
65.03925	1.7
67.05502	7.9
69.03438	4.0
69.07056	2.6
71.05003	1.4
71.59829	1.0
73.02905	0.7
79.05486	7.6
81.03415	13.6
81.07069	6.6
83.04996	3.5
83.08633	1.7
85.02922	1.1
91.05473	16.2
93.07035	9.7
95.04967	8.3
95.08607	5.5
97.02878	3.3
97.06514	1.3
99.04489	0.9
103.05453	1.8
105.07029	24.1
106.07336	0.7
107.04953	8.3
107.08600	8.8
108.06573	0.7
109.02876	12.0
109.06509	3.4
109.10140	5.3
111.04438	7.8
111.08089	1.1
113.06017	0.6
115.05429	3.8
117.07012	5.7
119.04952	1.5
119.08575	12.9
119.20089	0.6
121.06514	3.0
121.10118	4.1
123.04432	10.4
123.08073	2.5
123.11700	1.9
125.05979	1.2
127.03876	0.8
128.06221	7.1
129.07010	19.0
131.04933	1.1
131.08563	7.3
133.06485	5.5
133.10129	8.5
135.04375	0.8
135.08046	2.0
135.11687	1.4
137.02332	0.9
137.05946	0.8
137.09584	1.1
141.06998	7.2
142.07791	8.2
143.08560	15.0
144.09212	0.7
145.06477	5.9
145.10138	7.2
147.04469	0.7
147.08034	7.3
147.09099	0.9
147.11636	0.9
149.06064	0.8
149.09691	1.4
151.11089	1.2
152.06165	1.4
153.06993	2.6
154.07747	2.3
155.08537	6.1
156.09370	5.9
157.06496	12.6
157.10124	10.8
158.07271	3.4
158.10696	1.2
159.08047	6.0
159.11661	3.6
161.05965	1.0
161.09616	8.1
163.07535	0.9
163.11205	0.7
165.06995	6.8
165.09117	2.7
166.07796	7.4
167.08553	2.4
168.09276	0.6
169.06502	2.5
169.10109	5.5
169.13673	0.7
170.07262	2.7
170.10873	1.2
171.08031	12.2
171.11690	21.4
172.08620	1.0
172.12003	1.0
173.09592	4.0
173.13263	4.1
175.07542	1.5
175.11165	2.2
175.14897	0.7
179.08536	2.7
179.10674	2.4
181.10106	12.2
183.08012	3.0
183.11729	2.9
184.08841	5.3
185.09618	26.9
185.13193	2.0
186.10139	1.3
187.07542	0.8
187.11218	3.0
187.14844	1.4
189.09193	3.1
189.12720	4.6
193.10117	2.4
195.07994	1.1
195.11664	2.5
197.09621	7.0
197.13298	2.1
198.10342	2.0
199.11177	100.0
200.11595	4.4
201.09088	2.6
201.12793	0.8
203.10669	2.2
203.17780	0.9
206.10910	0.9
207.10161	3.6
207.11809	1.3
209.09596	1.3
209.13245	2.7
211.11162	1.5
211.14975	1.0
212.11839	1.4
213.09111	1.4
213.12668	3.0
213.16301	0.7
215.10684	4.1
215.14146	0.8
217.12221	17.9
218.12665	0.7
219.11734	1.3
220.12360	0.9
221.13297	1.2
223.11264	1.0
223.14763	0.8
225.09119	1.7
225.11015	1.1
225.12909	1.0
225.16280	0.7
227.14319	1.1
229.12241	1.0
235.14778	1.2
237.12772	1.2
238.13441	0.8
239.10632	1.6
239.14270	3.8
239.17867	0.8
241.08583	4.7
241.12161	0.7
243.10176	2.8
243.13721	0.7
249.16370	1.5
251.10732	0.7
251.14322	1.3
253.15941	1.1
257.11838	0.9
259.09604	3.3
263.14423	0.8
265.15854	1.3
267.17398	1.0
271.16949	0.7
277.15906	0.9
281.11761	0.9
281.19125	0.7
283.16699	0.9
285.18588	0.7
295.13730	0.9
295.16745	3.4
301.18094	1.4
307.16882	0.7
309.18481	0.7
313.17856	3.0
314.18381	0.8
325.17935	1.5
327.19693	0.9
339.19617	1.1
351.19629	0.7
359.20151	0.8
363.19513	1.8
377.21045	2.9
381.20575	1.9
387.19464	1.9
393.20258	2.1
395.22113	3.3
405.20575	8.7
423.21640	63.4
424.21930	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	423.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
55.01850	3.1
55.05487	2.4
56.20961	0.7
58.63759	0.7
65.03934	0.9
67.05507	6.3
69.03416	3.8
69.07050	2.3
71.05003	1.1
71.61810	0.9
79.05496	6.8
81.03418	14.3
81.07056	6.1
83.04955	2.8
83.08581	0.7
86.80847	0.6
91.05482	11.9
93.07034	9.8
95.04972	7.1
95.08630	4.9
97.02871	2.3
97.06516	1.8
103.05453	1.8
105.07030	22.3
107.04946	9.3
107.08598	8.9
109.02880	11.4
109.06529	4.7
109.10130	2.6
111.04437	6.5
115.05451	2.7
117.07035	6.8
119.04951	2.3
119.08584	11.7
121.06475	3.3
121.10175	4.6
123.04442	9.7
123.08031	3.0
123.11703	1.8
125.05997	1.1
128.06223	8.3
129.07013	19.8
131.04970	0.9
131.08585	6.4
133.06480	5.5
133.10135	9.1
135.08029	2.1
135.11671	1.3
137.05925	2.0
137.09578	1.0
141.06992	6.5
142.07777	9.4
143.08575	17.4
144.05690	1.1
145.06490	5.4
145.10153	6.4
147.08038	7.6
147.11659	2.2
149.06050	0.9
149.09654	1.6
149.13153	0.8
151.11201	1.2
152.06206	1.2
153.06970	2.2
154.07735	2.7
155.06026	0.9
155.08528	5.1
156.09358	5.7
157.06487	11.9
157.10138	11.8
158.07233	3.1
158.10713	1.2
159.08028	4.6
159.11761	3.9
161.05954	2.1
161.09648	6.8
163.11179	1.3
165.06995	7.2
165.09119	2.0
166.07797	7.8
167.08580	4.0
168.09370	0.9
169.06480	2.7
169.10117	5.6
170.07243	2.0
171.08055	11.6
171.11681	18.8
172.08788	1.5
172.12027	0.9
173.09612	3.1
173.13239	1.2
175.07555	1.9
175.11156	1.4
175.14870	0.8
177.08928	0.8
179.08585	2.4
179.10690	2.3
180.09348	1.4
181.10133	10.7
182.07265	1.2
182.10832	1.3
183.08052	3.0
183.11668	2.6
184.08859	4.9
185.09624	26.5
185.13208	2.4
186.10081	1.2
187.11136	2.1
189.09160	2.2
189.12709	4.6
191.17999	0.9
193.10132	1.4
194.10780	1.1
195.11687	3.0
197.09595	6.5
197.13246	3.1
198.10300	2.0
199.11186	100.0
200.11519	3.5
201.09134	1.7
201.12723	1.5
203.10655	2.0
207.10112	2.6
207.11810	1.2
209.09653	1.0
209.13293	1.9
211.11188	2.7
211.14832	0.8
213.09209	1.6
213.12703	4.6
215.10706	3.5
217.10175	1.6
217.12231	18.4
219.11612	1.0
221.13326	1.0
223.11197	2.0
223.14780	1.3
225.09155	1.8
225.12877	1.0
227.10699	1.5
227.14366	1.3
235.11253	1.1
235.14835	1.1
239.10672	1.7
239.14328	5.4
241.08607	3.0
241.12206	1.3
243.10001	2.0
247.14905	1.0
249.12732	1.3
253.15805	1.7
255.17465	1.2
257.11624	1.2
259.09662	2.2
267.17435	1.9
278.03787	0.8
291.09940	0.9
295.16824	2.4
296.17633	1.0
301.18027	1.8
307.17084	1.0
309.18271	1.3
313.17978	3.1
325.18091	1.4
326.18604	0.8
337.17923	0.9
345.18549	1.4
353.21143	1.0
359.20013	1.8
363.19449	2.3
375.19623	0.9
377.21191	3.2
381.20850	1.7
387.19626	2.0
393.20737	2.4
395.22037	2.5
405.20590	9.7
423.21695	70.2
423.36316	3.1
424.22055	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66426	0.6
56.96572	0.7
57.03428	0.6
69.03436	0.8
69.07089	0.7
69.57009	1.0
69.57413	3.9
70.06606	0.9
71.50236	0.5
79.05482	0.7
81.07062	1.3
84.04515	0.9
85.02913	1.7
85.07681	1.0
85.32661	0.5
87.56368	0.6
91.05518	0.7
95.04998	0.8
97.02924	0.8
98.21510	1.2
112.07594	0.5
119.04969	2.9
119.52879	0.5
120.08191	1.1
127.03903	1.3
133.14128	0.6
147.04427	8.0
148.04688	0.9
160.56752	0.6
261.13086	10.0
378.52118	0.6
423.18423	100.0
424.18597	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51102	1.0
53.03954	1.0
54.11096	1.2
55.01879	1.4
59.05008	1.3
60.04511	1.2
61.01151	6.3
62.48403	1.1
65.03928	1.0
67.05492	1.4
69.03431	1.6
70.02946	1.1
70.38115	4.9
72.04527	11.0
73.02917	3.0
78.03795	14.3
83.05006	2.5
84.73353	1.1
85.02913	8.6
85.06529	1.7
86.06077	1.7
87.04458	2.1
88.02223	5.6
91.05491	18.7
92.05816	4.7
97.02885	2.4
98.02421	1.4
98.21414	1.2
98.97596	2.6
99.04461	4.6
99.05581	3.2
102.03774	25.6
103.02187	2.8
103.03950	14.9
108.08578	1.3
109.02902	2.8
112.07648	2.0
114.03738	2.6
114.05573	2.0
115.03966	2.4
118.96935	1.2
120.04822	5.1
120.08068	1.2
124.30903	1.4
126.05523	20.3
127.03909	6.3
131.06369	11.8
131.07080	1.1
132.04799	13.3
133.04964	1.2
136.07573	1.5
142.08632	4.1
147.05902	1.5
149.07448	44.5
152.07057	2.4
154.08688	2.8
159.05891	2.6
173.13878	1.1
175.05426	3.4
180.06581	11.9
184.09747	1.4
186.05873	1.6
198.07587	3.2
216.08755	1.9
231.11642	3.2
237.02882	2.3
257.09613	1.9
261.12674	3.6
275.10721	2.4
293.11664	100.0
294.11765	2.8
327.07260	1.3
405.16891	32.3
405.20871	1.4
413.61255	1.3
441.10760	2.2
442.10962	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	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
56.96557	0.6
57.07065	0.6
60.04509	0.8
61.01151	5.8
66.24100	0.5
67.05491	1.1
69.03413	1.4
70.00301	2.5
71.04967	0.9
72.04150	0.7
72.04516	10.0
72.08163	0.7
73.02901	1.9
78.03789	14.2
81.03391	1.1
83.04956	1.6
85.02403	0.8
85.02905	8.0
85.06525	1.4
86.03974	0.5
86.06068	1.3
86.09677	1.0
87.04474	0.7
88.02222	4.2
88.86102	0.5
91.05478	8.6
92.05807	1.7
95.04948	0.8
97.02894	0.5
98.02401	1.3
98.97545	1.2
99.04459	6.2
99.05553	4.0
102.03764	21.9
103.02144	3.0
103.03941	13.6
104.01658	0.9
107.69559	0.5
109.02873	3.5
110.79578	0.5
112.07606	1.1
113.06018	1.3
114.03752	3.2
114.05511	1.8
115.02152	0.6
115.05016	0.9
116.03461	0.7
120.04792	4.5
120.08103	1.0
123.04452	0.6
124.07588	1.0
126.05511	18.6
127.03903	6.1
130.08620	0.8
131.06369	10.4
131.07248	0.9
132.04781	12.6
132.05807	0.6
141.06606	1.0
142.08640	3.8
147.04384	0.7
147.05879	1.0
149.07433	47.9
152.07022	2.1
154.08594	2.7
156.06535	1.5
159.05875	2.5
171.59270	0.6
175.05354	4.1
180.06551	12.3
184.09659	1.5
186.05862	0.7
196.68703	0.5
198.07578	3.0
216.08693	1.4
231.11577	3.2
233.09593	0.9
257.09482	1.2
261.12637	3.3
275.10522	2.6
293.11639	100.0
294.11874	2.6
327.07272	0.6
343.16925	0.9
375.16882	0.6
405.16873	33.6
406.17084	1.3
441.10736	0.8
442.11346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
54.82890	0.7
55.05503	1.4
59.42749	0.6
66.62875	0.6
67.05494	1.9
69.03438	1.2
69.07064	1.9
72.33415	0.8
79.05506	2.4
81.03428	3.8
81.07053	3.5
85.02888	0.7
91.05483	3.9
93.07056	3.9
95.04978	2.2
95.08610	3.6
97.02904	1.6
97.06516	0.6
105.07028	6.5
107.04967	3.6
107.08567	3.1
109.02917	0.9
109.06517	0.7
109.10165	1.7
117.07003	1.1
119.01932	1.5
119.04990	1.2
119.08565	3.7
121.06542	1.2
121.10149	2.1
121.14352	0.6
123.11735	1.0
128.06253	1.5
129.07027	2.2
131.08569	6.0
133.06490	2.9
133.10161	3.0
135.08009	1.0
135.11775	0.8
141.07018	1.5
143.08583	2.2
145.10109	6.8
147.04440	3.3
149.13286	0.8
154.07809	0.9
156.09311	1.0
157.10098	1.5
159.11739	2.0
161.02942	1.0
166.07809	1.0
169.10190	1.1
170.07195	0.8
171.11690	2.2
173.13251	5.8
175.11053	0.8
175.14871	1.7
177.16360	0.8
184.08899	1.2
185.13104	0.8
187.00922	0.7
187.11157	1.7
187.14836	1.5
189.16435	2.5
199.11201	14.4
199.14911	2.2
201.16360	1.4
203.18062	1.5
211.11528	0.7
217.12355	1.9
239.14371	3.1
243.04813	1.2
287.03787	2.5
337.16022	1.1
377.32175	2.1
379.12393	1.1
379.17264	13.4
423.16315	100.0
423.21780	9.6
423.31763	3.5
424.16815	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	423.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36176	0.5
53.03920	1.7
55.05489	0.5
59.01560	0.5
67.05461	1.4
67.78726	0.6
69.03403	0.5
69.07067	0.9
71.59213	0.9
79.05463	1.3
81.03394	1.3
81.07070	2.5
81.15087	0.4
85.02890	0.7
91.05477	7.6
92.05811	0.5
93.07046	30.0
95.04944	3.0
95.08580	1.5
95.90533	0.5
105.04475	0.8
105.06998	2.0
107.08605	3.5
109.02866	0.8
109.06512	0.5
109.10127	1.1
119.08547	1.9
121.10138	1.1
123.04453	0.6
127.03901	0.7
129.06941	0.7
131.08571	1.1
133.10129	1.2
134.22046	0.5
135.04382	0.5
135.08032	0.6
135.11673	0.9
137.09666	0.5
141.12665	0.6
143.08473	0.9
145.10141	1.2
147.11540	0.6
149.03032	0.5
155.08551	0.6
159.11664	1.3
163.03888	3.0
173.13206	1.0
182.05321	0.5
185.09566	0.8
187.14859	0.7
199.11108	3.0
203.05257	2.0
207.06439	0.7
217.12151	0.6
217.98840	0.6
227.05177	0.8
229.03244	0.6
245.06343	7.0
253.16020	0.6
271.04245	0.7
287.03809	2.6
289.05301	86.7
290.05646	1.9
379.17352	4.6
423.16272	100.0
424.16605	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1261
Annotation	Plicatic acid
Peak:m/z	Relative Intensity
53.52969	1.2
54.99810	1.5
58.43446	1.5
59.50187	1.3
63.36535	1.4
65.21273	1.5
66.34951	1.4
92.69707	1.4
98.20755	4.1
130.47765	1.6
143.73584	1.3
156.04256	6.3
193.88794	1.7
221.25179	1.4
229.21507	1.7
253.66830	1.7
262.30954	1.4
290.05542	1.3
423.12769	100.0
424.13251	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	423.1269
Annotation	Plicatic acid
Peak:m/z	Relative Intensity
56.96557	6.4
57.87635	1.8
58.75640	1.7
62.03138	2.5
65.66103	1.8
69.07030	1.9
71.02890	1.8
71.60107	3.1
84.04489	2.3
84.14766	1.8
84.96048	2.0
85.02880	2.6
91.05458	3.0
97.02888	2.1
98.97578	16.8
116.98611	10.0
119.04931	6.7
127.03920	5.0
128.98616	3.0
129.05534	1.8
134.99672	4.8
147.04399	19.2
147.10109	2.0
158.99651	4.6
161.01237	4.2
167.07190	2.0
170.99753	3.4
176.77280	1.7
177.00693	9.6
181.65904	1.8
182.74538	1.7
185.22562	2.0
189.00633	2.0
189.04376	4.3
195.01839	1.9
195.79872	2.0
201.00691	2.9
219.01822	3.1
221.01160	1.7
237.02835	6.4
309.08612	8.0
382.77933	2.6
423.12494	100.0
424.12695	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0898
Annotation	CHEBI:82808
Peak:m/z	Relative Intensity
52.25205	0.5
69.03429	0.7
71.32802	0.9
71.33148	0.7
85.02915	0.9
86.09732	0.6
93.07047	0.6
94.01058	0.5
95.08595	0.8
97.02876	0.9
107.08614	0.7
112.77233	0.5
114.50796	0.5
124.84336	0.5
151.03879	1.3
159.11537	0.6
167.03188	1.0
174.02907	0.8
175.03709	4.3
180.88110	0.5
185.04237	1.0
197.08148	0.6
227.05289	2.9
253.05754	0.6
271.04260	4.4
280.27106	0.6
337.08832	4.5
379.09998	34.4
380.10373	1.7
423.08978	100.0
424.09402	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	422.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.4
57.07076	4.7
59.05000	2.8
65.03939	2.2
67.05518	8.5
69.03440	1.5
69.07057	4.2
70.06598	11.5
70.73230	3.9
71.08630	2.2
73.02914	1.3
79.05499	5.7
81.03413	2.2
81.07055	9.2
83.05014	1.7
83.08627	2.4
85.06511	2.6
88.07632	11.2
91.05479	5.1
93.07055	6.3
95.04967	2.3
95.08614	9.4
95.42779	1.2
97.06524	6.1
98.06884	1.8
102.09177	11.3
105.07023	9.9
107.04972	2.1
107.08588	8.6
109.10143	8.3
111.04431	3.0
115.05470	1.5
117.07004	1.6
119.08575	12.6
121.02854	1.3
121.06522	1.7
121.10165	4.8
123.08040	1.9
123.11716	2.7
131.08603	2.3
133.10153	7.1
135.11676	2.5
139.03951	1.3
141.07013	1.6
143.08598	3.0
145.10181	7.0
147.08098	1.5
147.11742	6.5
149.02356	62.6
149.03271	2.3
149.13246	1.4
157.10127	4.6
157.49861	1.5
159.11758	6.2
161.09775	2.2
161.13287	4.3
164.04254	1.8
169.10217	2.1
169.88414	1.3
171.11687	3.2
173.13292	4.4
175.14806	1.9
183.11725	2.4
184.07336	2.3
185.09764	1.7
185.13287	2.6
187.11263	1.6
189.16515	1.8
193.04976	69.6
195.11794	2.0
197.13229	3.1
199.11079	2.1
199.14832	3.0
201.16422	2.1
213.16339	2.4
215.14372	1.5
215.17929	1.9
217.12349	1.6
223.14871	1.5
229.07474	1.5
239.17970	2.8
253.27628	1.4
256.26382	34.3
257.19058	3.9
258.85181	1.4
259.09720	3.4
260.10049	5.6
275.20178	8.1
281.19116	3.2
299.20090	11.6
317.21088	15.1
422.29129	100.0
422.34634	5.2
423.29187	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33282	2.6
55.05512	9.6
56.58768	3.2
57.07079	3.7
59.05006	7.5
67.05502	23.4
69.07077	13.6
70.87107	8.6
76.18755	3.1
79.05503	12.1
81.07056	29.7
83.04989	5.8
83.08626	6.0
85.06537	4.6
91.05485	18.9
93.07050	28.9
95.04948	5.6
95.08609	41.8
97.06539	7.1
105.07029	31.5
106.07321	3.5
107.04964	3.5
107.08601	28.2
109.06517	5.5
109.10159	31.5
111.04443	17.5
111.08091	8.3
117.07030	7.1
119.08586	59.0
119.09372	5.5
119.95144	3.4
121.06488	5.0
121.10138	29.5
123.08074	6.2
123.11711	9.1
125.05992	5.5
129.06975	5.0
131.08583	13.4
133.10139	39.8
135.08070	4.9
135.11703	16.1
137.05933	3.0
137.09592	10.3
141.06985	4.6
142.07793	3.2
143.08563	18.0
145.10136	26.9
147.07990	4.2
147.11693	26.6
149.05971	4.0
149.09583	3.1
149.13235	6.3
151.07507	3.1
151.11250	5.8
153.09009	3.4
155.08560	3.5
157.10152	15.9
158.50491	3.0
159.11708	28.4
161.09622	3.1
161.13268	12.2
163.11183	3.7
163.14825	5.5
165.09174	4.9
165.12790	4.3
169.10123	9.6
171.11620	15.1
173.09578	5.5
173.13263	11.5
175.14885	6.8
183.11638	4.4
184.07347	5.9
185.13289	8.9
187.11255	7.2
187.14844	11.3
189.16399	3.8
191.10709	4.7
195.11658	3.5
197.13293	14.5
199.11273	4.6
199.14830	8.0
201.12875	4.9
201.16400	11.2
205.12288	5.3
205.15891	2.9
211.14781	7.3
213.12807	3.7
213.16405	8.6
215.10718	3.8
215.14220	4.5
215.17955	7.6
217.12244	5.2
219.13756	5.7
225.12691	3.4
227.14322	4.4
229.12344	5.3
229.19545	4.7
231.13924	3.2
233.15373	3.7
239.14424	4.4
239.17949	7.9
241.15999	5.3
243.13858	4.6
243.21140	3.5
253.19530	7.5
255.17491	4.3
257.18994	10.8
259.16827	3.6
271.20575	4.3
275.20041	24.6
281.19031	12.0
289.21722	3.3
299.20023	62.4
300.20422	3.5
317.21124	100.0
335.22107	3.3
423.31400	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01862	0.7
55.05503	1.4
56.96567	1.0
57.03423	1.1
57.07070	0.7
61.02927	4.7
67.05503	2.1
69.03429	3.7
69.07066	2.0
69.44046	4.3
71.05009	0.8
73.02920	1.5
74.06097	0.5
74.75804	0.5
77.03894	0.4
79.05499	5.3
81.03425	1.9
81.07058	100.0
82.07391	1.0
83.04967	0.5
83.08585	0.5
84.04507	1.0
85.02907	27.8
86.03226	0.8
87.04472	0.6
89.03888	0.5
91.03973	1.3
91.05490	1.7
93.07060	1.3
95.04984	0.9
95.08607	8.4
95.16324	0.4
96.08992	0.4
97.02895	7.2
97.06539	1.5
98.97577	0.9
99.04449	1.6
105.07039	1.5
107.03445	2.0
107.08604	1.4
109.02908	2.1
109.10172	1.3
111.04450	0.6
115.03873	0.5
116.98623	0.5
119.04991	0.6
119.08625	1.1
123.08125	0.5
125.09669	0.7
127.03934	8.2
135.04446	0.6
137.13255	28.8
138.13594	1.2
143.08560	0.5
145.03043	1.2
145.04961	21.5
145.10141	0.9
147.11720	1.0
149.06107	0.5
159.11697	0.5
161.01323	0.7
163.03937	1.5
163.06015	11.0
169.10156	0.5
173.96133	0.5
177.05475	2.8
180.08707	1.0
194.31784	0.5
196.08870	0.6
197.09689	0.5
199.11392	0.6
222.69543	0.5
225.11319	0.5
259.09750	1.3
260.10046	0.5
269.08701	4.3
286.11401	1.6
422.15591	0.9
423.16364	0.8
423.21182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.3
53.99670	2.6
54.72232	3.2
55.01861	8.0
55.05514	18.0
57.01736	2.7
57.03432	9.3
61.02919	5.6
67.05507	14.9
67.59010	2.4
68.99809	2.4
69.03426	41.3
69.07075	15.8
70.06592	4.2
71.05004	7.9
71.59619	3.7
73.02912	8.2
79.05490	42.4
79.64569	2.4
81.03413	23.5
81.07061	30.2
83.04998	4.3
85.02906	100.0
85.06568	3.4
87.00828	40.1
91.05498	11.1
93.07047	58.1
95.04961	7.3
95.08607	43.5
97.02892	39.8
97.06541	3.6
99.04449	15.1
105.01865	96.7
105.07035	3.7
107.08613	3.8
107.96101	2.6
107.96882	2.7
108.04465	4.7
109.02873	25.7
109.10149	3.4
119.08584	4.1
121.10135	37.9
127.03922	83.1
129.01848	5.2
131.08583	2.8
137.13315	4.5
139.11151	6.5
141.90335	2.5
145.04961	39.3
159.02940	15.4
163.03922	10.1
167.07076	3.6
181.03270	2.5
213.04007	4.8
231.05032	27.1
236.11050	2.7
249.06166	13.9
288.05731	2.8
289.06305	3.1
290.06271	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	422.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.0
56.96594	1.4
57.03412	3.6
58.99591	12.8
67.05505	2.4
69.03416	4.8
69.07062	7.6
69.39095	5.6
69.39529	6.6
73.02909	1.2
74.00671	2.9
75.19273	1.2
75.50626	1.4
76.02229	84.7
76.03999	5.5
79.05490	10.3
83.06127	2.0
84.04509	29.9
85.02896	6.4
85.04038	2.8
86.99051	3.2
87.04489	1.7
95.04963	1.7
96.08159	1.4
97.02889	3.0
97.06532	100.0
98.06909	1.7
98.97576	2.5
101.59312	1.4
112.03972	1.9
115.03925	2.5
116.01681	23.9
120.08160	1.5
127.03922	59.6
128.04268	31.8
128.05219	1.8
129.03659	2.3
130.05000	18.5
131.04529	2.6
142.03252	6.7
144.01131	13.6
147.04396	5.2
147.08073	1.4
154.06857	4.8
162.02203	45.0
170.02783	2.9
172.07899	4.2
175.59309	1.2
177.03322	8.4
179.04865	93.7
182.91287	1.4
187.05368	1.7
207.10258	1.9
215.04852	3.2
231.04376	1.9
233.05913	22.9
237.02698	2.2
245.05971	3.3
257.09567	4.8
275.10565	4.9
291.06461	2.4
308.09122	67.4
309.09021	1.9
404.14941	2.5
422.17145	3.6
423.12524	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	421.3673
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
52.52930	12.1
55.05495	37.7
57.07074	92.5
67.05499	77.8
69.07059	40.8
71.08630	80.2
76.51391	12.3
79.05499	35.7
81.07052	88.1
83.08629	20.3
85.06516	13.6
85.10178	49.1
91.05477	40.1
93.07034	57.4
95.08607	100.0
97.06525	39.8
98.21603	27.2
105.07012	22.3
106.59088	16.7
107.08592	38.1
107.21199	13.6
109.10155	37.6
111.08050	26.9
117.07021	18.3
119.08570	37.1
121.10223	16.6
123.11726	14.7
131.08537	25.9
133.10129	40.8
135.11702	44.7
149.13284	43.4
159.11678	50.1
175.14851	27.0
177.12772	55.2
193.15913	19.0
196.45943	13.4
211.20566	79.3
253.21667	18.6
332.23627	13.7
344.87149	16.3
367.33804	18.1
384.75754	15.8
385.34744	50.9
401.47583	13.4
403.35464	76.8
421.36603	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3676
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.76698	4.8
55.05510	26.6
57.03439	7.8
57.07076	98.5
67.05504	64.5
69.06718	6.4
69.07065	47.5
69.61197	40.0
71.08628	64.6
79.05485	28.2
81.07061	100.0
83.04980	5.7
83.08619	25.7
85.06539	77.6
85.10179	33.6
91.05488	31.1
93.07053	34.8
95.04980	7.8
95.08608	77.6
97.06549	27.1
97.10152	18.6
98.98452	24.5
99.08088	11.1
105.07027	19.9
107.08585	25.6
109.06505	9.9
109.10149	39.7
111.08070	16.1
111.11713	8.5
113.00006	26.9
114.97276	4.9
117.06983	13.7
119.08572	36.1
121.10100	11.3
123.11703	15.4
131.08572	13.8
133.10179	28.5
135.08080	7.3
135.11667	19.8
137.09587	15.0
137.13210	7.1
145.10051	6.5
147.11687	6.1
149.13284	26.1
155.01030	19.7
159.11690	39.9
169.02608	24.4
175.14841	16.1
177.12720	36.7
179.10663	5.5
183.04170	44.3
185.13213	7.4
193.15845	11.9
195.13887	9.8
204.38029	5.9
211.20557	46.3
253.21718	14.0
285.08041	5.2
301.13528	5.3
305.70230	5.1
367.33347	11.4
385.34772	29.3
403.35669	46.6
403.65363	5.0
421.37024	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64180	4.1
53.03946	4.0
55.01889	4.7
55.05516	20.4
56.96563	5.4
57.03427	7.1
64.72126	3.5
67.05504	36.0
69.03428	14.0
69.07072	26.4
69.49070	25.3
69.49499	10.9
71.04989	5.8
79.05513	26.1
81.03409	10.8
81.07060	33.4
83.04980	9.4
83.08613	10.9
85.02900	9.2
91.05477	25.5
93.07050	35.8
95.04974	14.7
95.08616	39.3
97.02899	19.1
97.06532	59.6
97.10181	6.2
98.06976	3.6
105.07043	38.5
107.04993	4.6
107.08597	43.4
109.06585	4.6
109.10158	35.7
111.08111	3.9
115.05595	3.6
116.98638	4.3
117.07032	14.4
119.08595	37.5
121.06513	4.6
121.10165	27.5
123.11701	9.9
127.03932	7.5
128.06175	4.8
129.07011	9.5
131.08568	15.4
133.10149	25.7
135.08078	5.9
135.11700	13.9
137.13243	6.9
141.06985	7.5
143.08594	18.1
145.06516	5.0
145.10080	24.6
147.07977	5.0
147.11702	14.8
149.13277	15.8
155.08577	14.1
156.09279	5.0
157.10165	19.8
159.11703	14.5
161.02339	7.4
161.13261	9.7
163.03938	30.1
163.14806	8.8
169.10130	7.7
171.11739	13.7
173.02373	18.4
173.05936	4.9
173.09676	6.7
173.13264	27.8
175.14844	12.6
183.11674	8.7
185.13277	12.1
187.14838	36.1
189.16412	12.5
197.13319	7.4
199.14815	14.1
201.16402	15.9
203.18013	8.3
211.14803	5.3
213.16376	13.0
215.07100	26.7
215.18004	7.7
225.16312	6.1
227.17964	11.1
241.08652	8.2
241.19511	11.4
243.21080	8.2
247.20753	4.6
255.21176	6.5
259.09695	100.0
260.09973	5.2
267.21075	17.6
281.22672	7.1
329.21042	8.2
375.30396	4.8
403.13928	5.0
403.24631	8.5
403.33444	14.0
421.15018	15.7
421.26196	28.8
421.34879	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.0
56.96562	7.4
57.07083	3.5
67.05503	17.8
69.07071	15.8
69.73932	17.9
75.79679	2.4
77.51743	2.5
79.05497	19.1
81.07065	25.3
83.05008	6.3
83.08591	4.2
85.02872	2.6
86.37675	2.6
91.05483	16.0
92.48530	2.7
93.07056	31.3
95.04971	8.0
95.08616	38.2
97.10162	5.4
98.21480	3.0
105.07032	34.0
107.08597	49.7
109.06480	3.7
109.10165	22.9
117.07025	18.4
119.08597	30.9
121.06480	3.0
121.10149	27.1
123.08104	4.7
123.11708	10.2
128.06218	4.1
129.07030	9.2
131.08585	26.9
133.10150	13.7
133.46732	2.5
134.99686	6.0
135.11714	16.9
137.13159	2.7
141.07008	4.6
142.07848	3.9
143.08563	26.3
145.10147	23.8
147.11716	13.2
149.13200	13.4
155.08554	23.6
156.09369	4.6
157.10149	19.1
158.10915	3.0
159.11714	14.3
161.13234	17.0
163.14825	5.1
169.10141	15.8
171.11690	24.3
173.13251	35.2
175.02850	7.7
175.14839	12.0
177.16408	4.5
179.14297	2.9
183.11748	7.9
185.13274	10.2
187.14827	58.8
187.16435	3.6
188.15172	3.1
189.16461	9.9
193.03839	4.2
197.13306	8.1
199.14847	9.7
201.16437	19.9
203.18059	5.3
209.13396	2.9
211.14885	13.0
213.16409	19.3
215.18021	10.8
225.16414	11.1
227.17940	16.7
229.19658	5.1
237.16431	3.3
239.17999	5.6
241.19534	15.9
243.21074	12.2
247.20598	13.6
253.19572	8.1
255.21123	3.8
261.22162	6.2
265.19794	3.4
267.21094	26.2
281.22678	8.9
329.21008	6.9
361.20529	2.8
371.01465	2.6
403.24829	4.8
403.33670	20.7
420.30185	2.9
421.25949	6.3
421.34729	100.0
422.35068	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	421.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53391	1.3
50.64856	1.4
51.18204	1.2
53.03935	3.2
55.05508	9.1
57.03451	2.3
57.27767	1.5
67.05505	13.6
69.03417	5.5
69.07073	16.6
69.99194	3.5
69.99610	3.6
71.04987	2.6
71.86251	1.4
77.12360	1.4
79.05505	13.3
81.03416	3.2
81.07052	20.6
83.04960	2.9
83.08599	5.2
85.02901	4.1
91.05484	14.1
93.07041	16.6
95.04964	3.9
95.08607	25.2
97.02868	6.0
97.06538	29.2
97.10166	3.8
105.07037	26.9
107.04933	3.9
107.08597	23.5
109.06498	2.0
109.10170	13.8
111.08133	1.3
117.07003	6.7
119.08590	55.4
121.06492	3.5
121.10155	15.3
123.08051	2.1
123.11671	4.0
125.09626	2.7
127.03899	2.5
128.06268	2.7
129.06984	5.1
131.08578	21.5
133.06525	1.9
133.10132	21.8
135.04388	4.1
135.08046	2.0
135.11694	7.9
141.06985	2.7
142.07764	3.2
143.08565	15.7
144.09299	2.3
145.02852	3.0
145.09045	2.4
145.10133	42.7
146.10443	1.5
147.08060	2.8
147.11700	13.1
149.13234	9.2
155.08530	3.2
156.09303	3.1
157.10139	21.8
158.10831	2.1
159.04402	1.7
159.11697	22.2
161.02365	4.5
161.09607	4.2
161.13258	17.4
163.03909	18.3
163.14833	12.9
169.10147	7.8
170.10913	7.2
171.11652	11.9
172.12485	3.5
173.02345	7.6
173.11906	2.3
173.13260	19.5
174.13655	1.4
175.11305	1.5
175.14845	23.2
177.16389	8.4
181.10075	2.7
183.11729	8.5
184.12498	2.4
185.13254	38.6
186.13663	3.0
187.13142	2.7
187.14824	50.5
188.15146	1.7
189.09091	1.5
189.12779	3.5
189.16377	16.0
191.03296	2.1
191.17923	1.7
193.12302	2.1
195.11676	3.4
197.13274	5.4
199.11127	2.3
199.14822	35.7
201.16386	19.6
203.14270	2.6
203.18010	9.3
205.08398	1.5
206.63632	1.5
207.10074	1.9
209.13231	3.8
211.14862	5.3
213.16365	10.1
215.07031	12.3
215.14273	3.4
215.17964	7.1
217.19516	1.4
221.15364	3.3
225.11084	1.8
225.16464	3.0
227.17949	7.0
229.12262	2.1
229.19437	1.8
237.16399	3.5
239.17899	6.1
241.19518	2.3
243.17448	2.6
247.16995	2.4
251.17975	4.5
253.19452	2.6
257.66617	1.5
259.09686	44.1
259.17215	1.5
260.10043	3.7
261.18649	2.2
265.19376	3.4
267.21048	1.6
269.22565	1.8
279.21021	4.1
285.18497	5.2
311.20175	2.2
319.24121	1.9
325.21609	1.8
329.21039	7.7
333.25787	2.8
347.22119	1.8
347.27322	1.7
375.30530	21.3
376.31021	2.1
393.31519	4.5
403.14023	2.1
403.24646	5.9
403.29700	3.0
421.15244	6.6
421.25940	8.7
421.30945	100.0
422.31097	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01870	2.3
55.05504	7.7
57.03428	1.3
57.07069	3.2
65.03938	1.3
67.05508	11.7
69.03436	6.9
69.07070	16.5
71.05005	1.8
71.59724	2.1
79.05495	11.5
81.03418	4.4
81.07061	32.3
82.07394	4.4
83.04979	3.4
83.08624	4.7
85.02906	7.1
87.00806	1.1
89.03928	0.9
91.05476	11.9
93.07053	17.7
95.04972	4.0
95.08609	33.8
96.08936	1.3
97.02898	12.1
97.06536	23.1
97.10159	2.2
98.03252	1.4
98.06879	1.9
99.04449	1.9
99.08080	2.1
99.91184	0.9
105.07034	33.7
107.04968	1.7
107.08601	26.2
109.02876	2.5
109.06511	2.7
109.10166	12.2
111.04461	2.2
111.08017	1.5
111.11739	1.7
113.35686	0.8
117.03345	1.0
117.07033	6.1
119.08585	61.9
120.08911	1.7
121.06522	2.3
121.10151	17.6
123.08071	2.0
123.11707	6.0
125.09627	4.9
127.03920	3.5
128.06264	1.9
129.07014	3.4
130.07750	1.3
131.08574	20.6
133.10138	22.5
133.11087	1.9
135.04408	2.3
135.08064	1.2
135.11710	5.8
137.05959	2.9
137.13300	4.8
138.13605	3.9
141.07002	1.7
142.07777	5.1
143.08572	12.2
144.09357	1.3
145.02817	1.8
145.04881	1.5
145.06465	1.0
145.10124	48.0
146.10464	1.4
147.08029	2.4
147.11703	14.9
149.06018	1.4
149.09676	1.5
149.13251	10.2
153.06993	1.0
155.08519	4.5
156.09346	3.6
157.10127	25.9
158.10834	2.7
159.11691	25.0
160.12125	0.9
161.02370	4.7
161.09610	2.6
161.13245	15.2
163.03920	13.2
163.14835	13.3
165.09119	2.5
165.12805	1.1
167.08455	1.0
167.10692	1.2
169.10164	9.8
170.10916	8.4
171.11699	14.3
172.12474	3.3
173.02362	8.6
173.09468	1.1
173.13255	20.1
173.14677	1.5
175.14839	23.1
177.16441	9.4
179.10602	2.0
179.14201	1.1
181.10155	3.5
182.10966	1.0
183.11690	9.5
184.12450	1.2
185.05832	1.2
185.13266	44.3
186.13658	1.4
187.14833	61.1
188.15158	2.6
189.09094	1.8
189.12712	3.0
189.16377	19.2
190.16878	1.3
191.03419	2.0
195.11768	4.6
197.09579	2.7
197.13268	4.8
199.14818	35.2
200.15120	1.3
201.16385	26.4
203.14258	1.8
203.17972	11.7
205.19524	1.3
205.87753	1.0
207.10184	2.8
209.13286	3.6
211.14822	3.3
211.68408	1.0
213.16383	12.5
215.07031	14.6
215.14363	3.5
215.17958	10.2
217.19403	1.2
219.17497	1.2
221.15421	1.8
223.14832	1.4
225.11276	4.8
225.16345	5.3
227.17880	7.6
229.12286	1.0
229.15910	1.1
229.19521	3.1
231.13815	1.5
231.17473	1.3
233.15417	1.2
237.16362	6.3
239.17987	9.6
241.08586	1.4
241.19455	2.9
243.17433	2.3
245.15311	1.9
247.16913	2.9
249.18576	1.7
251.17909	3.5
253.19513	4.3
255.21027	1.2
257.15717	1.0
259.09683	35.7
259.17044	3.1
260.10043	2.8
261.18610	1.9
263.17987	2.1
265.19455	5.4
267.21185	1.6
271.17047	1.7
277.19382	1.3
279.21094	4.0
281.22769	1.8
285.18542	7.7
291.21072	2.3
293.22473	1.2
297.18503	2.2
299.20068	1.1
305.22537	2.4
311.20111	2.0
319.24332	2.0
323.20218	1.2
325.21606	1.6
329.21188	2.5
333.25803	1.5
339.23175	1.3
351.23193	1.9
361.66507	1.3
375.26068	1.9
375.30487	27.1
376.30838	1.6
377.31976	1.5
393.31412	2.4
403.13922	2.7
403.24933	1.4
403.29837	3.6
421.15588	5.6
421.30948	100.0
422.15433	1.9
422.31302	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	421.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
53.78318	0.6
55.05514	71.6
56.05839	0.7
57.07090	0.7
59.06121	1.8
67.05502	4.8
69.03423	2.0
69.07071	4.0
69.46523	0.8
71.04994	0.9
71.60524	1.1
79.05508	4.0
81.03426	1.0
81.07063	13.0
81.07523	1.1
83.04988	100.0
83.08633	1.2
84.05314	1.5
85.02893	1.0
85.06551	1.4
91.05473	3.6
93.07052	8.7
94.75750	0.7
95.04968	2.0
95.08607	7.7
97.02914	2.1
97.06529	4.7
99.08147	0.9
105.07037	5.1
107.08596	7.5
109.06504	4.0
109.10154	6.5
111.08088	0.9
111.11703	0.8
117.07012	1.8
119.08575	5.6
121.06501	1.7
121.10148	10.3
123.08089	1.4
123.11715	5.5
125.09655	3.1
127.03897	0.8
127.07551	0.9
129.06970	1.1
131.08585	2.9
133.10159	3.8
135.08046	1.7
135.11687	4.3
137.09692	0.8
139.11134	1.2
143.08562	1.0
145.02957	1.0
145.10110	4.9
147.08075	1.7
147.11743	3.3
149.09677	3.2
149.13322	2.0
157.10162	2.2
159.11739	3.2
161.09679	1.2
161.13281	1.4
163.03989	2.6
163.11226	2.5
165.09167	1.0
167.10748	1.4
169.10245	1.0
171.11652	1.2
173.02332	1.1
173.13277	1.6
175.11348	1.0
175.14828	1.9
177.05577	0.9
177.12709	1.2
185.13281	1.6
187.14865	1.8
189.16414	1.3
199.14841	0.9
201.16434	1.1
203.14333	0.8
209.15340	1.0
215.07100	2.7
239.12694	1.3
259.09692	6.4
267.21167	1.7
274.47501	0.9
275.23636	1.6
277.21771	0.8
281.76797	0.8
285.22202	2.4
303.23175	9.6
321.24179	3.7
329.21136	1.0
330.07663	0.7
375.31284	0.8
421.14877	1.5
421.25833	1.4
421.34888	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
53.78318	0.6
55.05514	71.6
56.05839	0.7
57.07090	0.7
59.06121	1.8
67.05502	4.8
69.03423	2.0
69.07071	4.0
69.46523	0.8
71.04994	0.9
71.60524	1.1
79.05508	4.0
81.03426	1.0
81.07063	13.0
81.07523	1.1
83.04988	100.0
83.08633	1.2
84.05314	1.5
85.02893	1.0
85.06551	1.4
91.05473	3.6
93.07052	8.7
94.75750	0.7
95.04968	2.0
95.08607	7.7
97.02914	2.1
97.06529	4.7
99.08147	0.9
105.07037	5.1
107.08596	7.5
109.06504	4.0
109.10154	6.5
111.08088	0.9
111.11703	0.8
117.07012	1.8
119.08575	5.6
121.06501	1.7
121.10148	10.3
123.08089	1.4
123.11715	5.5
125.09655	3.1
127.03897	0.8
127.07551	0.9
129.06970	1.1
131.08585	2.9
133.10159	3.8
135.08046	1.7
135.11687	4.3
137.09692	0.8
139.11134	1.2
143.08562	1.0
145.02957	1.0
145.10110	4.9
147.08075	1.7
147.11743	3.3
149.09677	3.2
149.13322	2.0
157.10162	2.2
159.11739	3.2
161.09679	1.2
161.13281	1.4
163.03989	2.6
163.11226	2.5
165.09167	1.0
167.10748	1.4
169.10245	1.0
171.11652	1.2
173.02332	1.1
173.13277	1.6
175.11348	1.0
175.14828	1.9
177.05577	0.9
177.12709	1.2
185.13281	1.6
187.14865	1.8
189.16414	1.3
199.14841	0.9
201.16434	1.1
203.14333	0.8
209.15340	1.0
215.07100	2.7
239.12694	1.3
259.09692	6.4
267.21167	1.7
274.47501	0.9
275.23636	1.6
277.21771	0.8
281.76797	0.8
285.22202	2.4
303.23175	9.6
321.24179	3.7
329.21136	1.0
330.07663	0.7
375.31284	0.8
421.14877	1.5
421.25833	1.4
421.34888	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2949
Annotation	18-Isovaleryloxygrindelic acid
Peak:m/z	Relative Intensity
55.01849	9.6
55.05501	26.6
57.07064	12.7
67.05505	56.8
69.07053	30.2
71.60744	10.6
79.05489	21.5
81.07042	45.7
83.04956	10.4
83.08643	10.8
85.06532	9.0
91.05469	26.5
93.07056	48.9
95.04972	91.1
95.08608	71.2
97.06522	11.5
97.10178	12.1
105.07046	41.6
107.04974	9.6
107.08588	55.0
109.06532	14.4
109.10152	50.0
111.08112	10.8
117.06986	13.4
119.08588	100.0
121.10153	48.5
123.08054	13.6
123.11675	24.0
127.66913	7.9
131.07654	8.8
131.08563	33.8
133.06500	9.9
133.10132	51.4
134.44682	8.6
135.08083	13.4
135.11688	25.8
137.09662	7.9
143.08534	13.9
144.09274	8.5
145.10114	35.2
147.11694	23.1
149.13275	17.0
151.11150	10.5
156.47083	7.5
157.10149	17.1
159.11633	36.4
161.09647	9.9
161.13322	20.6
163.11176	20.8
170.10883	7.9
171.11687	19.0
173.13292	16.9
175.11153	13.5
175.14819	12.2
177.12672	24.9
185.13287	23.5
187.14873	16.3
189.12784	9.7
189.16342	13.0
199.14925	10.3
201.16296	11.1
203.14371	12.5
205.12360	8.9
205.15903	10.2
213.16359	7.9
215.14299	7.5
226.03278	9.3
241.19511	15.2
245.15469	10.0
255.21072	26.9
259.20657	11.3
273.22131	31.2
283.20538	34.5
301.21603	94.3
329.21094	31.5
403.24759	29.2
421.25836	29.2
421.34631	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	421.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06654	1.2
53.03940	2.3
55.01868	4.6
55.05510	15.5
57.03444	10.7
57.06212	1.2
57.07079	11.2
67.05500	22.4
69.03408	1.7
69.06717	2.1
69.07064	26.3
70.35337	4.8
70.35758	2.5
71.05016	2.5
74.77573	1.3
77.20784	1.1
78.65695	1.2
79.05070	1.2
79.05486	15.3
81.07053	34.0
83.04954	4.5
83.08624	7.5
85.06525	10.2
86.86876	1.2
87.06493	1.4
91.05495	10.7
93.07037	29.2
95.04971	3.1
95.08606	29.0
97.06511	11.7
99.08064	2.4
100.31673	1.3
101.10653	1.2
105.07025	11.2
107.08592	27.5
109.06507	20.5
109.10140	10.8
111.04427	5.5
111.08080	5.0
119.08569	10.4
120.43239	1.2
121.06518	2.0
121.10133	10.4
123.08060	12.7
123.11671	3.5
125.05983	4.9
125.09621	2.2
131.08574	4.0
133.10094	7.0
135.08049	20.4
135.11690	17.6
135.47623	1.2
136.11971	1.5
137.05975	21.3
137.06938	2.3
137.09636	3.2
137.13260	2.6
139.07523	2.3
143.08562	2.2
145.10118	5.2
147.11693	5.7
148.08791	1.8
149.09610	3.8
149.13293	3.1
151.07513	7.6
151.11240	2.2
151.14796	1.7
153.12753	4.1
159.11734	2.0
161.09578	5.0
161.13275	3.1
163.03928	2.5
163.11182	3.1
165.12752	6.2
167.14383	3.2
173.13283	1.4
175.11171	2.5
177.12685	7.1
179.10684	1.3
179.14218	3.6
181.12274	7.8
182.15822	1.4
183.13820	1.5
189.16403	1.2
191.14334	1.3
193.12105	3.2
195.13806	2.1
201.16461	1.3
204.18695	1.2
205.15877	2.5
217.14357	1.9
221.19035	4.4
224.13904	1.3
235.20610	4.5
237.00781	1.6
249.18442	2.5
263.20111	5.1
286.02634	1.2
287.23599	1.8
291.19461	2.2
300.20432	1.7
303.26859	1.4
305.24738	86.8
306.24985	1.9
318.21689	1.6
319.26294	28.0
329.24808	5.9
337.27237	1.8
347.25793	100.0
348.26505	1.7
365.26865	12.0
393.30017	8.7
403.28467	4.2
421.29486	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.2
55.05506	16.0
57.03430	9.0
57.07074	15.7
58.38978	1.4
63.19915	1.7
65.03932	2.0
67.05500	27.0
69.03423	2.2
69.07068	30.6
70.06597	2.4
71.04986	3.2
71.08637	2.7
71.59502	2.3
78.73763	1.4
79.05490	23.1
81.07053	36.5
81.78390	1.4
83.04961	9.1
83.08596	8.3
85.06538	9.6
88.07632	2.7
88.85506	1.8
91.05476	17.6
93.07031	28.1
95.04956	6.8
95.08601	36.2
97.06521	14.2
97.10164	2.6
105.07021	16.5
107.08591	33.5
109.06519	23.3
109.10140	15.2
111.04436	5.3
111.08078	6.7
117.07019	4.6
119.08591	14.6
121.06499	3.5
121.10122	13.9
123.08069	14.6
123.11713	5.9
125.05986	5.8
131.08566	7.6
133.10121	12.6
135.08046	70.6
135.11691	16.1
137.05975	18.9
137.09586	3.6
137.13281	2.3
138.06812	2.5
139.07500	1.9
142.07787	1.9
145.10127	10.7
147.08018	1.8
147.11705	7.8
149.09625	6.0
149.13268	2.7
151.07513	10.5
151.11186	2.8
153.12750	3.7
156.09370	1.9
157.10129	5.7
159.11656	8.1
161.09596	7.4
161.13269	4.5
162.03214	2.7
163.03918	3.7
163.11148	3.9
163.14799	1.8
165.12727	5.0
171.11647	5.3
173.13272	3.4
175.11153	3.3
177.12750	16.2
179.14314	5.7
181.12260	5.1
183.11711	2.6
184.04532	2.4
185.13293	3.0
187.14809	3.9
189.12744	3.0
191.14276	3.8
193.04996	2.1
193.12274	2.5
201.16429	3.0
203.14354	1.8
203.17841	1.6
205.15939	2.6
207.13878	4.5
215.17929	1.7
217.14207	2.5
221.18843	2.2
228.23158	1.5
235.20605	2.4
243.21173	1.6
263.20050	4.3
303.23438	2.2
305.21332	1.6
305.24725	41.6
306.25235	2.1
306.66058	1.8
309.24310	2.9
319.26352	12.9
329.24673	10.2
347.25793	73.5
348.26154	2.7
365.26761	10.7
385.09140	2.3
393.29965	4.4
403.28607	4.6
421.29446	100.0
421.78467	5.3
422.30157	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	18-Isovaleryloxygrindelic acid
Peak:m/z	Relative Intensity
52.80873	0.9
55.01864	3.2
55.05511	7.9
55.80137	1.0
57.03439	10.1
57.07077	33.5
67.05503	11.9
69.03403	1.0
69.07072	9.1
69.53031	7.7
71.05000	1.6
79.05493	8.5
81.07054	18.0
83.04968	4.1
83.08630	4.6
85.06543	13.1
85.99218	0.9
91.05465	6.3
93.07040	12.4
95.04970	3.1
95.08609	15.3
97.06528	5.5
97.10152	1.2
99.08101	1.0
105.07024	7.2
107.04910	1.0
107.08588	16.4
109.06514	16.1
109.10186	5.5
111.04419	2.9
111.08067	4.3
117.06993	1.6
117.30375	0.8
119.08600	7.7
121.06449	1.8
121.10125	7.7
123.08054	10.4
123.11725	2.7
125.05975	3.9
125.09645	1.0
131.08572	3.1
133.10118	6.2
135.08051	13.9
135.11670	4.4
137.05974	24.6
137.09584	1.8
137.13219	1.8
139.07550	2.5
143.08522	2.0
145.10120	3.6
147.11705	4.2
149.09595	3.0
149.13251	3.5
150.32703	0.8
151.07549	6.7
151.11203	3.8
153.12772	2.5
157.10123	2.2
159.11697	2.9
161.09616	3.2
161.13255	3.0
163.03900	2.6
163.11218	2.5
163.14851	1.1
165.09187	1.4
165.12755	7.3
171.11652	1.5
173.13268	1.6
175.11166	2.3
175.14798	1.4
177.12770	6.1
179.10783	1.1
179.14305	5.0
181.12312	1.7
183.11679	1.1
189.12816	1.6
191.14386	2.2
193.12296	3.4
195.13815	1.3
203.14342	1.2
203.17996	1.2
207.13785	7.9
233.19075	2.7
246.90411	1.1
263.20050	4.2
277.17892	1.2
301.25513	1.2
319.26321	10.6
329.21133	1.3
329.24713	3.3
337.27347	5.9
347.25800	100.0
348.26144	2.7
357.24677	0.9
365.26880	21.8
393.30014	13.3
402.79880	1.0
403.28430	2.7
421.29520	78.2
422.29727	2.8
438.01947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	17-Isovaleryloxygrindelic acid
Peak:m/z	Relative Intensity
55.05494	19.9
57.07069	26.0
67.05497	30.0
69.03422	17.1
69.07056	18.5
69.62679	5.1
70.93982	11.9
72.07098	4.2
79.05479	18.2
81.07073	34.2
83.04975	11.7
83.08612	9.5
85.06515	7.0
91.05468	20.6
93.07047	54.7
95.04926	11.1
95.08614	56.5
97.02873	6.6
97.06548	10.3
97.10173	4.8
99.08073	29.2
105.07033	29.2
107.08588	60.4
109.06509	8.6
109.10158	21.9
111.08089	6.9
119.08579	24.1
121.10155	37.3
123.08073	5.4
125.05987	7.5
125.09617	30.6
131.08583	12.3
133.10104	20.9
135.08020	12.9
135.11678	37.2
137.09663	4.8
139.07536	13.7
145.10155	14.2
147.11681	17.4
149.09599	9.5
149.13271	24.8
151.07555	100.0
157.10118	6.8
159.11725	36.7
161.09558	9.6
163.11087	7.8
163.14798	6.6
173.09619	6.2
173.13231	6.6
175.11162	5.8
177.12772	66.2
185.13205	7.4
187.11131	8.1
187.14722	8.1
191.10689	7.1
195.13789	18.5
203.17986	7.3
205.12228	8.1
245.99573	5.6
268.34943	4.8
301.21625	26.2
319.22644	90.5
403.28540	80.2
421.24738	6.0
421.29929	10.6
421.34991	6.6
429.43124	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	421.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91908	2.8
53.03942	4.3
55.01863	3.4
55.05499	7.1
57.03437	3.6
67.05495	9.6
69.03433	20.4
69.07069	19.2
71.04984	2.9
71.59209	3.7
79.05491	9.4
81.03407	10.0
81.07054	100.0
83.04964	3.8
83.08632	6.6
85.02901	36.1
85.06538	6.6
87.00822	15.2
87.60383	2.6
89.18854	2.9
91.05479	29.6
93.07037	12.2
95.04951	3.9
95.08617	38.1
97.02903	22.2
97.06532	11.2
97.10151	4.3
99.04458	5.5
105.01862	19.6
105.07027	9.4
107.04932	4.9
107.08579	10.8
109.02911	10.8
109.06532	4.0
109.10139	5.4
111.08083	4.6
111.11715	22.7
115.03911	4.6
117.07051	3.0
119.08568	9.7
121.10148	6.6
125.09647	6.5
127.03909	27.5
131.08566	3.1
133.10123	8.9
135.11707	5.6
137.05948	3.8
137.13255	38.8
145.04944	9.5
147.04434	5.2
149.09586	3.4
153.12746	8.8
155.14310	44.6
157.10115	4.7
161.09615	4.1
161.13327	4.1
163.03949	4.1
163.14833	4.8
165.12791	4.5
167.14377	4.3
173.15384	34.5
207.10233	3.2
215.06886	4.1
222.26254	3.2
225.11229	6.8
231.04953	7.1
245.15277	5.0
259.09583	7.7
263.16476	6.3
272.06381	2.9
323.18637	2.9
331.19244	3.0
343.40225	2.8
346.45264	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	421.1342
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.93690	0.2
57.03437	0.8
58.21465	0.2
59.04990	0.2
59.26613	0.2
59.62681	0.3
69.03431	3.0
70.68431	0.2
70.76461	0.7
72.00314	0.2
81.03434	0.5
84.10596	0.2
85.02914	3.5
87.04483	2.0
97.02885	2.1
109.02904	0.5
115.03983	1.2
127.03922	100.0
128.04309	1.6
133.04965	1.0
145.04977	0.6
227.86957	0.2
241.35860	0.3
289.09225	3.7
373.56479	0.3
431.30859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57944	1.4
55.01849	1.6
55.05511	2.9
62.09937	1.6
65.03935	6.1
67.05495	4.6
69.03420	4.4
69.07069	3.0
71.59668	2.6
79.05494	6.0
81.03423	3.9
81.07046	4.5
83.04975	1.5
85.02924	3.8
91.05466	13.9
93.07048	3.2
95.04962	4.4
95.08596	2.8
97.02885	4.3
97.06516	4.5
103.05470	1.8
105.07004	4.9
107.04943	5.4
107.08601	3.7
109.02853	1.8
110.03670	2.6
111.04452	2.1
112.95437	1.6
117.03382	2.5
117.07037	1.5
119.04916	6.2
119.08569	4.4
121.06497	5.1
121.10110	3.2
125.06007	2.9
125.09660	1.7
127.03894	3.6
133.06454	3.0
133.10098	2.9
135.04396	3.7
135.08057	3.0
135.11711	3.2
137.05969	5.3
145.02858	1.7
145.10127	2.4
146.03604	2.0
147.04410	9.0
147.08028	1.9
149.05934	2.3
151.03868	1.6
151.07510	5.3
153.06966	2.4
154.06230	3.0
159.11670	1.9
161.06018	2.2
163.03908	15.5
164.04495	3.8
165.06984	2.2
167.07036	27.8
169.06633	1.5
171.06500	4.2
177.05461	2.4
179.07042	52.1
180.07616	1.4
181.04955	74.0
181.06416	4.5
181.08411	8.0
183.08128	1.8
185.13268	1.5
192.04227	1.7
193.08580	4.8
195.08174	1.8
198.06711	3.2
199.07527	1.8
207.06522	100.0
213.09116	5.0
215.07071	4.1
216.87495	1.9
223.07510	2.4
227.07085	1.9
241.08603	5.6
241.22055	1.6
259.09702	4.8
269.08078	4.5
273.11240	7.2
286.08435	2.6
301.10800	8.4
329.10129	17.9
333.09476	2.4
333.13297	28.7
361.12827	15.7
421.13150	2.1
421.21857	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	420.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15797	6.1
51.45675	5.4
55.05507	10.5
67.05489	21.3
69.07048	9.9
71.58704	10.8
77.28524	5.6
79.05477	6.7
81.07044	23.7
83.04985	9.7
86.86349	5.9
93.07046	19.4
93.98502	5.6
95.08610	100.0
98.98460	13.2
102.42295	5.9
105.07018	12.5
107.08605	30.3
109.10146	36.4
119.08566	24.0
121.10146	21.8
123.11710	19.9
125.05980	7.8
133.10143	19.7
135.11734	35.6
145.10138	11.0
147.11700	16.4
149.13234	8.8
155.01062	6.8
159.11652	12.3
161.13217	11.0
163.11221	6.0
163.14854	9.5
173.13174	7.1
187.14839	14.1
203.17996	30.7
233.15419	9.2
257.22595	26.3
267.21136	6.4
285.22208	13.4
301.21649	10.7
303.23184	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86454	7.3
53.03954	7.5
55.05523	36.0
55.41330	7.2
56.05833	9.6
56.82826	8.4
65.38696	7.0
65.88709	6.7
67.05505	53.0
68.05829	12.4
69.07053	19.8
69.93063	35.1
72.40810	7.4
81.07045	34.1
82.07365	8.5
83.04971	37.2
83.08607	10.2
84.05317	10.2
84.08943	9.1
93.07011	20.2
94.07359	10.4
95.04960	69.0
95.08621	41.5
96.05286	25.2
96.08923	21.6
97.06520	11.6
98.21413	12.6
99.08153	7.8
105.07010	26.7
106.07363	13.7
107.08618	44.2
108.08924	18.2
109.10160	44.6
110.10476	27.6
116.84499	7.3
119.08595	48.0
120.08879	31.6
121.10147	32.4
122.10455	15.5
123.11729	20.0
133.10083	37.2
134.10477	15.7
135.08078	10.7
135.11681	12.1
136.12009	12.9
137.09659	15.0
137.13257	11.9
138.09958	9.6
145.10098	14.2
146.10440	24.6
147.11682	14.8
148.12022	16.7
149.09566	11.7
149.13191	10.5
150.09955	8.9
157.10001	11.7
158.10463	10.9
159.11684	26.8
160.12010	20.8
161.13257	9.0
162.13556	15.6
163.11238	13.4
164.11551	8.4
172.12033	10.9
173.13213	14.6
175.11122	9.0
177.12766	24.5
178.13110	14.5
185.13217	10.5
186.13649	18.2
187.14841	15.3
188.15196	11.7
201.16486	14.1
201.76392	7.8
202.16666	9.5
215.90602	8.1
242.19727	17.2
246.22931	7.3
255.21042	12.7
256.21344	25.7
273.22122	10.5
274.22403	24.2
276.31924	8.4
284.20926	39.9
301.21527	30.1
302.21964	100.0
320.23068	18.1
340.66995	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	420.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.6
59.04999	30.2
67.05492	1.7
69.07053	2.7
71.21204	1.1
71.21552	0.7
79.05482	1.1
81.07050	2.2
83.33916	0.7
85.98823	0.6
91.05478	5.6
93.07065	1.6
95.04967	0.8
95.08585	2.1
97.06536	0.8
105.07031	22.2
107.08562	2.4
109.06494	1.2
109.10145	1.1
111.04430	6.0
117.07012	2.2
119.08585	4.1
121.10175	0.9
129.06998	2.7
131.08575	12.0
133.10114	1.9
135.08023	3.5
141.06981	1.8
142.07809	2.1
143.08559	7.8
144.09285	0.7
145.10115	7.8
149.09605	0.9
155.08548	17.5
156.09302	2.1
157.10118	17.6
158.10838	0.7
159.10449	1.4
159.11694	20.6
159.13025	1.0
161.13284	1.2
165.06995	1.3
167.08607	2.7
169.06400	0.7
169.10117	5.6
171.11685	14.7
173.13269	2.8
175.14813	1.2
179.08507	2.1
180.09322	1.5
181.10133	7.2
182.10796	1.0
183.08012	1.5
183.11681	5.3
185.09595	1.1
185.13243	6.0
193.10112	2.4
194.10857	1.3
195.11687	7.7
196.12486	1.2
197.09656	1.5
197.13266	3.5
199.11107	1.4
199.14815	1.5
203.14278	1.4
205.10083	0.8
205.15842	1.4
206.11012	0.9
207.11713	1.1
209.09741	0.8
209.13251	6.6
211.11205	1.5
211.14825	15.5
213.16380	18.2
217.10153	0.9
217.12199	0.9
219.11755	0.8
220.12427	1.6
221.13254	2.6
222.14027	1.4
223.11246	1.2
223.14743	0.8
225.12775	0.8
227.17946	8.3
229.19511	1.0
231.11621	0.7
235.14783	4.4
237.16371	15.5
239.14374	3.6
251.17958	2.7
253.15871	3.2
255.17435	33.1
257.15305	5.5
261.16388	3.7
271.16800	0.8
273.18454	5.4
279.17471	9.8
297.18484	13.4
311.80161	0.8
315.19540	100.0
316.19818	2.6
330.74628	0.8
334.17886	0.7
420.27271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01870	2.1
55.05506	1.3
57.03436	1.0
57.07083	0.9
61.02628	0.6
61.02912	1.0
64.25483	0.6
65.03941	0.8
66.28246	0.6
67.05509	3.3
69.03417	4.6
69.07072	3.2
69.35404	0.6
69.35716	6.9
70.06590	0.6
71.04959	0.6
73.02921	1.0
78.21812	0.6
79.05494	7.3
81.03449	3.4
81.07058	100.0
81.15771	0.6
82.07392	1.6
83.04990	0.9
83.08629	1.1
85.02904	10.0
86.12936	0.6
87.00814	3.2
87.04464	0.6
87.66692	0.6
91.05490	6.3
93.07054	2.3
95.04974	1.5
95.08608	8.9
97.02895	6.3
97.06545	10.0
97.81062	0.7
99.04456	1.8
105.01868	8.9
105.07043	2.3
107.04956	0.8
107.08608	2.4
109.02888	2.8
109.06502	0.8
109.10176	2.4
117.03417	1.1
117.07024	0.7
117.33533	0.7
119.08592	1.8
121.10175	1.3
123.08046	0.8
127.03920	8.8
127.97157	0.6
131.08597	1.2
133.10168	1.5
135.11661	1.1
137.13260	34.3
141.07008	0.9
145.02875	1.3
145.04987	4.3
157.10179	0.7
159.02861	1.8
159.04263	0.8
161.02405	2.8
161.05971	0.9
161.13318	0.8
163.03909	7.7
167.07056	1.5
167.08514	0.7
168.07480	0.9
171.02907	0.8
173.02341	3.0
177.05438	1.2
184.99925	0.7
189.03958	0.8
202.12854	0.7
215.06970	5.9
225.11263	0.9
231.05060	4.9
241.08591	0.8
248.07645	1.2
248.90419	0.7
249.06111	2.8
259.09644	15.7
284.09851	2.0
287.05478	0.8
288.05875	1.8
367.17825	0.8
403.14059	1.1
420.16858	0.6
420.32895	1.2
421.14996	2.8
421.26401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80510	0.7
52.63458	0.7
52.74966	0.8
52.94115	0.7
53.03946	1.3
55.01871	1.7
57.03448	1.1
57.07032	0.9
61.02942	1.2
65.03942	0.8
67.05506	3.7
69.03428	9.3
69.19036	0.8
70.86296	1.8
71.04989	1.9
73.02919	1.7
79.05493	4.3
81.03424	5.6
81.07059	100.0
82.07384	1.2
83.04971	0.9
85.02908	31.0
87.00830	14.3
95.08611	10.9
95.78756	0.7
97.02901	10.9
97.06540	1.2
98.71503	0.8
99.04472	4.1
103.05436	0.9
105.01871	30.9
109.02888	8.0
117.01924	1.2
127.03921	25.9
129.01817	1.0
131.04936	2.3
132.05284	1.8
137.13260	71.7
138.13599	1.3
141.72090	0.8
145.04955	12.4
147.02898	1.1
159.02907	3.6
171.02864	1.1
189.04037	1.1
213.03912	1.1
215.07132	0.9
231.04984	12.6
249.06105	12.4
259.09625	1.3
420.21899	1.3
432.19205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
53.99738	0.7
55.01858	1.6
57.03421	1.0
57.07063	1.5
61.02907	1.0
67.05492	3.3
67.05830	0.8
69.03418	4.4
69.07051	2.1
70.86482	1.8
70.86842	0.7
71.04989	0.8
73.02913	1.5
79.05482	6.9
80.47501	0.7
81.03397	2.7
81.07053	100.0
82.07393	1.4
85.02899	14.8
87.00826	6.7
93.07037	0.9
95.08599	13.5
97.02884	5.2
99.04441	2.6
105.01862	9.7
109.02859	3.9
109.10143	1.9
127.03898	9.8
135.11703	0.8
136.46820	0.8
137.13258	22.6
145.04944	5.4
155.14278	0.9
159.02876	2.5
176.37852	0.7
206.08157	0.8
231.05038	3.3
416.48608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.05502	2.2
57.03437	2.6
57.07072	3.3
61.02921	2.7
67.05505	8.9
69.03424	5.5
69.07060	2.2
70.06584	3.5
71.04984	10.1
71.58385	2.3
75.82409	1.4
78.43754	1.1
79.05494	14.3
81.03393	3.4
81.07044	3.4
83.04981	2.2
84.04504	1.5
85.02908	15.9
85.06544	70.3
86.09707	1.6
91.05477	14.2
93.07034	10.0
93.31711	1.2
95.04950	3.3
95.08611	2.1
97.02906	5.8
99.04513	1.6
105.07030	8.1
107.04965	5.6
107.08604	11.6
109.02873	2.9
109.06543	2.1
111.04443	2.5
111.08044	1.2
114.86226	1.3
117.07018	4.4
119.08583	10.0
121.06499	4.5
121.10140	11.3
127.03925	3.2
129.06995	3.2
131.07584	2.6
131.08571	43.2
133.06471	1.2
133.10124	2.7
135.04405	1.3
135.11707	3.3
137.09604	4.5
139.07524	6.0
145.04927	1.6
145.06590	1.3
145.09033	2.4
145.10124	31.1
145.11278	1.8
147.08023	2.3
149.09622	38.3
155.10735	1.6
163.03894	3.6
163.11168	15.8
165.09103	2.2
167.07065	2.7
167.10655	11.5
173.09608	4.7
176.18103	1.4
177.43335	1.2
191.10674	24.9
192.11153	1.3
205.12276	8.1
209.11722	8.7
216.75816	1.3
223.13287	48.8
224.13599	2.2
241.14343	100.0
242.14661	1.9
372.90112	1.4
377.61444	1.5
420.22336	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01871	1.4
55.05510	1.5
57.03432	2.4
57.07065	3.1
58.05817	1.2
61.02923	2.8
67.05506	10.2
69.03421	7.0
69.07058	3.5
69.94152	7.7
69.94488	1.6
70.06585	1.8
71.04987	10.6
78.80853	1.1
79.05494	13.3
81.03423	3.4
81.07047	4.6
83.04986	1.6
85.02906	15.4
85.06542	74.1
86.09693	2.5
91.05477	15.4
93.07045	9.8
95.04950	2.5
97.02876	7.0
97.06552	1.7
98.21427	1.8
105.07033	7.3
107.04948	7.6
107.08590	11.2
109.02869	2.3
109.06513	2.6
109.10128	2.5
111.04431	3.3
116.20870	1.3
116.98656	1.8
117.06994	4.5
119.08596	11.7
121.06518	5.7
121.10155	13.7
123.04415	1.3
127.03908	4.5
129.06976	3.3
131.08574	37.3
132.08916	1.4
133.10132	2.1
134.81204	1.1
135.04353	1.9
135.08031	2.5
135.11667	3.7
137.05907	1.5
137.09607	7.2
139.07555	4.1
145.04956	2.9
145.10118	35.1
147.08011	3.0
149.09618	40.0
161.09622	1.5
163.03909	1.8
163.11192	17.7
165.08998	3.4
167.07085	2.4
167.10722	10.3
173.09624	4.5
181.08772	1.5
182.76846	1.3
191.10669	26.4
193.12399	1.2
202.06305	1.2
203.28638	1.2
205.12201	8.5
209.11723	10.0
223.11478	1.0
223.13286	47.2
241.14354	100.0
268.82852	1.4
348.44916	1.1
349.48746	1.1
420.13602	2.3
420.22516	1.6
421.11063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.1
55.01871	11.5
55.05516	8.5
57.03432	9.7
60.55936	2.0
61.02923	7.9
67.05507	11.9
68.99791	5.7
69.03431	44.2
69.07069	22.5
71.01352	3.4
71.04996	7.1
71.60247	3.9
71.60605	2.4
73.02918	10.4
79.05498	22.2
81.03419	37.9
81.03860	3.9
81.07062	56.4
83.04964	11.0
83.08640	3.8
85.02911	100.0
86.03197	2.1
87.00838	33.2
87.04511	3.6
88.51752	2.1
91.03959	3.7
91.05495	11.3
93.07051	13.9
95.04975	8.3
95.08607	26.7
97.02899	47.2
97.06533	59.8
97.10181	2.2
99.04453	19.1
103.03953	4.1
105.01879	38.9
105.07037	18.2
107.04963	4.5
107.08608	12.9
107.42945	2.4
108.04482	3.7
109.02888	33.9
109.06545	5.4
109.10181	10.6
111.04431	11.8
111.08066	3.0
112.04874	2.2
115.03953	3.6
117.01827	2.7
117.07024	3.3
119.08613	11.8
121.10164	7.1
123.04440	5.6
123.08090	4.2
123.11721	3.3
127.03927	70.9
129.01833	5.5
129.07024	3.6
131.08568	6.3
133.10088	5.6
135.04417	5.8
135.08028	2.8
135.11687	12.2
137.13249	16.2
143.08597	5.6
145.02933	2.8
145.04958	36.2
145.10109	7.4
147.02899	3.0
147.08023	4.5
147.11714	5.7
149.13271	3.5
151.07584	2.6
153.12750	9.0
155.14276	4.5
157.10175	6.1
159.02899	18.3
159.04370	6.1
159.11717	7.8
161.02367	9.8
161.13292	6.8
163.03920	35.3
171.02936	2.6
171.11693	3.5
173.02325	20.9
173.13321	3.7
177.09135	4.9
179.14355	6.4
184.84290	2.6
185.09700	2.5
185.13281	4.3
187.14873	5.3
189.12668	2.9
189.16428	2.6
199.14932	3.3
215.07062	33.2
221.15350	3.2
227.14272	4.8
231.05002	21.5
245.15437	12.1
249.06090	3.6
259.09668	96.8
263.16467	8.2
349.16373	4.0
367.17410	2.4
403.13568	6.5
420.22678	3.9
421.15036	22.6
421.30948	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	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98038	1.7
57.03439	16.0
59.04984	4.3
60.04509	2.6
61.05813	1.6
64.73338	1.9
65.11404	2.0
69.03432	64.6
70.89197	2.9
70.89536	2.7
73.02895	1.6
75.04485	4.7
76.12372	1.7
79.05489	2.3
81.03413	2.7
85.02903	46.1
87.03930	2.4
87.04468	52.3
91.05480	100.0
91.81479	1.6
97.02894	75.8
99.04441	3.7
105.07018	3.7
107.04953	9.5
115.03928	84.8
127.03902	7.3
129.07010	1.8
133.04970	96.8
133.06526	5.2
145.04959	10.1
150.07622	14.1
160.01619	1.9
161.04549	2.3
163.06009	3.3
168.93420	2.2
205.08647	3.7
217.08565	4.3
223.09651	12.4
230.91675	1.7
241.07150	3.2
253.10753	3.4
259.08093	5.3
277.09198	3.1
295.10129	5.3
298.32825	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25278	0.7
52.73038	0.7
53.03937	1.3
55.05510	1.0
56.17612	0.7
56.51778	0.7
57.07076	3.7
58.01138	0.7
61.02961	0.7
63.25944	0.7
67.05502	2.6
69.03421	2.3
69.07065	3.1
69.44128	0.8
71.04987	0.8
72.84766	0.6
79.05497	5.7
81.03394	1.3
81.07057	100.0
82.07426	1.0
85.02912	7.5
87.00832	2.6
93.07041	1.0
95.08604	21.0
97.02892	4.6
99.04433	1.0
105.01854	5.7
109.02884	1.2
109.10149	1.3
126.82346	0.7
127.03933	7.6
137.13260	27.1
145.04953	5.6
159.02898	1.9
176.11621	0.8
229.41495	0.9
231.05070	2.7
249.06065	1.3
307.12766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01865	1.2
55.05510	0.8
57.03435	0.6
57.07080	1.9
61.02921	1.1
64.39656	0.5
67.05507	4.0
69.03429	3.7
69.07068	2.7
71.04987	0.7
71.35376	0.9
79.05500	6.6
81.03434	2.0
81.07060	100.0
81.89431	0.6
82.07389	1.0
85.02908	8.5
87.00801	2.9
91.48341	0.7
93.07059	1.0
95.08612	18.3
97.02898	5.6
97.66745	0.5
97.88241	0.7
99.04487	1.3
101.74760	0.6
105.01862	7.9
105.07043	0.7
107.08617	1.0
109.02899	1.8
109.10181	1.6
119.08601	0.9
127.03918	8.4
128.46951	0.6
133.10056	0.6
137.13255	27.2
145.04948	4.9
151.73503	0.6
154.15919	1.0
159.02884	1.5
165.53452	0.6
216.21222	0.6
231.05061	4.0
249.06123	2.1
256.20990	0.5
265.14697	0.6
270.23941	0.6
284.09854	1.3
289.95166	0.6
420.32693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2793
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
52.25820	1.8
55.05503	7.7
57.07072	38.0
58.65200	2.1
62.05902	2.4
65.03953	4.9
67.05506	36.9
69.03419	3.2
69.07053	9.3
69.66164	5.4
69.66589	7.7
73.95690	2.0
74.42573	1.8
79.05496	9.2
81.07054	15.7
83.04985	7.4
85.06541	26.1
91.05461	9.8
93.07043	13.2
94.50124	2.0
95.04964	31.6
95.08618	21.3
97.06548	8.8
97.10146	2.5
98.20780	2.1
105.07035	15.1
107.04907	2.1
107.08595	24.9
109.06515	6.7
109.10152	100.0
115.05488	2.0
117.03427	2.6
117.07019	3.8
119.08567	20.8
121.06511	7.8
121.10150	18.8
123.08067	8.2
123.11691	6.2
125.09660	3.4
129.07002	3.2
131.08565	6.5
133.10115	19.1
135.04422	3.1
135.08047	47.5
135.11674	8.9
137.09618	6.2
137.99515	2.1
143.08585	5.6
145.10141	12.1
147.08037	5.3
147.11678	12.0
149.09613	9.5
149.13287	4.6
150.02713	2.0
151.11253	3.0
155.08556	3.0
156.09349	2.5
157.10130	11.9
159.08070	3.2
159.11699	21.4
161.09636	16.4
161.13264	15.6
163.03897	16.7
163.11211	5.6
163.14825	3.9
169.10152	5.3
170.10863	2.8
171.11739	9.4
173.09669	6.9
173.13245	13.4
175.07495	2.3
175.11270	11.7
175.14847	6.1
177.12738	3.4
183.11690	9.3
185.13274	8.3
187.11133	11.0
187.14879	10.1
189.09091	2.0
189.12785	7.9
189.16283	2.8
191.10733	6.5
195.11694	4.0
196.12308	2.0
197.13246	10.5
199.14729	5.2
201.12766	5.9
201.16466	2.5
203.10661	3.9
203.14221	10.8
207.11740	2.8
211.14867	7.1
213.16336	2.3
215.10785	3.7
215.14365	8.6
222.33844	1.8
224.15514	2.6
229.12259	10.9
229.19580	7.1
237.16377	6.2
239.17989	15.9
243.13799	2.3
253.19537	7.9
255.17546	2.9
257.19012	37.7
258.19382	3.3
271.20590	18.9
273.22150	2.6
275.19974	3.4
281.19086	5.8
299.20047	56.7
301.21548	7.5
317.21100	8.4
344.25519	2.0
357.84122	2.3
359.25711	18.5
373.27371	7.7
401.26880	61.0
419.28064	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	419.2796
Annotation	6alpha-Angeloyloxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
52.28732	3.4
53.03952	3.5
55.05502	8.9
57.07072	4.0
64.51232	3.2
65.03943	6.7
67.05505	19.9
69.03439	5.8
69.07076	11.1
69.67890	16.0
69.68298	8.6
71.84188	3.5
73.77349	3.9
79.05490	19.4
81.07046	13.5
82.91739	4.1
83.04996	8.0
83.08611	4.8
91.05482	33.7
93.07043	23.6
95.04948	14.5
95.08602	24.9
97.06492	4.8
99.08091	60.4
105.07036	34.4
107.04951	4.5
107.08598	100.0
109.06509	10.0
109.10139	22.4
111.04481	5.2
117.07048	6.6
119.08584	41.6
121.10143	24.0
125.09518	5.7
129.06917	3.7
131.08543	9.9
131.51518	3.4
133.10149	16.2
133.80826	3.9
135.08051	7.8
135.11697	7.6
143.08536	10.5
145.10139	12.6
147.11685	24.6
149.02263	4.7
149.09593	3.9
149.13225	4.5
151.11147	4.0
155.08617	4.0
157.10129	8.4
159.11723	11.7
161.13332	6.3
165.09142	6.6
165.12717	6.3
169.10121	4.8
171.08174	3.8
171.11635	8.0
173.13228	8.6
175.11215	9.1
191.10596	4.1
193.12242	16.0
209.11758	4.1
211.13179	6.2
211.14925	5.2
213.16385	4.3
239.17992	4.2
253.19525	5.1
287.05615	9.4
299.20123	6.7
317.21127	8.3
386.66736	3.9
419.33051	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	419.2795
Annotation	Vibsanin S
Peak:m/z	Relative Intensity
51.19741	3.9
51.56834	4.5
55.05516	57.1
55.06752	4.5
57.07069	5.9
65.01199	4.3
65.51846	3.9
67.05497	11.7
67.33728	4.3
69.03416	6.7
69.07066	6.0
69.93792	26.7
79.05479	8.5
81.07036	18.3
83.04986	100.0
83.08618	5.3
91.05497	13.2
93.07043	21.1
95.04964	3.9
95.08607	12.6
97.02905	3.9
99.08103	12.3
100.55914	4.0
105.07043	13.8
107.08604	22.5
109.06549	6.3
109.10141	11.5
116.99373	4.5
119.08559	20.3
121.10146	11.8
125.09616	10.5
131.08575	7.2
133.10120	9.1
135.11653	11.4
139.07541	8.5
145.10081	9.1
147.11699	7.7
149.09662	7.2
149.13266	13.1
151.07558	32.6
159.11688	18.5
163.14841	5.4
171.11769	5.8
173.13290	7.8
175.14723	6.4
177.12759	25.5
195.13780	9.2
283.20279	5.3
301.21622	13.1
312.32715	5.0
313.32953	10.1
319.22620	17.0
331.24527	4.0
386.42398	4.7
401.26910	46.9
419.27194	6.7
419.39474	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	419.2792
Annotation	Vibsanin S
Peak:m/z	Relative Intensity
53.03930	6.5
55.05519	56.3
57.07070	7.9
60.37661	6.0
67.05492	12.0
68.12212	7.0
69.03403	8.5
69.90202	20.2
69.90594	13.5
71.04981	6.7
79.05457	14.6
81.07048	23.4
83.04984	100.0
91.05469	16.2
93.07030	29.2
95.04987	8.5
95.08598	31.1
98.20844	12.9
99.08066	13.9
105.07014	14.0
107.08562	49.8
107.23801	7.1
109.06458	7.6
109.10140	15.2
119.08553	17.1
121.10114	20.6
125.09593	17.7
133.10101	18.6
135.08008	7.1
135.11673	20.6
139.07497	12.6
145.10132	14.9
147.11682	14.5
149.09608	9.4
149.13272	14.4
151.07515	46.7
159.11682	23.7
161.13240	9.3
173.13246	9.7
177.12744	36.2
195.13736	12.7
195.97771	6.4
199.14787	8.3
227.38712	6.3
272.57272	6.8
301.21509	24.6
315.87888	7.1
319.22549	21.9
401.26971	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	419.2791
Annotation	6alpha-Angeloyloxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
50.63263	5.4
53.55573	4.7
55.05517	39.1
57.03434	5.9
57.07058	7.5
57.77370	4.8
65.03945	7.6
67.05508	57.0
69.03423	9.2
69.07067	19.3
70.19832	11.3
70.20222	13.4
79.05502	7.7
81.07061	37.3
83.04978	41.6
83.08607	11.3
91.05495	15.0
93.07039	26.5
95.04977	73.8
95.08620	61.0
97.06541	13.3
97.10197	7.6
98.21436	6.2
105.07038	34.8
107.08592	53.8
109.06500	7.1
109.10159	48.2
111.08076	15.0
119.08579	77.4
121.06578	6.2
121.10142	45.8
123.08071	16.9
123.11720	28.3
125.09642	6.2
131.08600	17.0
133.10129	57.8
135.08073	18.9
135.11707	26.9
137.09642	22.6
137.13329	5.7
143.08594	10.3
145.10139	30.7
147.11693	30.3
149.09593	11.5
149.13268	13.6
151.11211	6.1
157.10139	10.9
159.11691	50.2
161.09615	8.6
161.13255	21.6
163.11208	27.6
163.12383	5.4
163.14941	6.0
165.12752	9.7
171.11722	14.6
173.13206	25.5
175.11200	10.5
175.14810	9.8
177.12788	30.7
177.16341	7.4
182.28070	6.9
185.13289	20.9
187.14838	19.6
188.05103	7.5
189.16385	14.1
193.12306	6.4
199.14890	17.1
201.16434	16.9
203.14351	11.4
205.15857	19.7
209.13315	7.0
211.14859	6.6
213.16325	9.7
216.41475	5.6
227.17853	6.1
229.15816	6.7
239.17865	7.8
241.15956	7.9
241.19522	30.6
245.15372	6.9
255.21176	30.8
259.20630	10.2
265.19525	10.7
273.22174	33.3
283.20554	42.2
301.21637	100.0
319.22635	20.7
419.27603	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	419.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	51.2
67.05503	51.7
69.07050	26.0
69.37994	36.5
69.38421	32.0
79.05473	14.1
81.07056	49.8
83.04964	26.5
83.08597	18.5
91.05453	19.2
93.07061	41.3
95.04974	40.4
95.08617	64.9
97.06522	17.5
98.20721	13.5
100.20242	6.7
105.07017	31.3
107.08583	61.5
109.06477	15.7
109.10146	71.5
111.04456	14.0
111.08107	12.1
119.08585	88.5
120.08858	7.6
121.10127	57.8
123.08096	13.0
123.11681	34.8
131.08560	9.8
133.10126	60.0
135.08044	24.4
135.11703	31.3
137.09599	34.7
143.08566	18.3
145.10129	39.5
147.11699	54.7
149.09579	11.0
151.11156	20.3
155.08511	9.5
157.10164	19.9
159.11678	46.8
161.13245	23.3
163.11143	16.4
163.14809	23.9
169.08711	7.7
169.10149	10.9
171.11661	21.4
173.13272	29.9
175.11145	17.4
175.14850	13.1
177.12741	24.3
181.47540	7.6
183.11800	7.8
185.13243	18.0
187.11200	9.0
187.14809	29.8
189.12755	7.0
191.10579	9.2
197.13152	10.1
199.14839	16.5
201.16342	17.1
203.14317	13.9
205.15851	17.8
207.57106	7.4
213.16382	8.9
217.12213	10.5
227.14348	11.6
245.15320	9.0
245.22787	8.9
255.21024	24.5
273.22067	50.7
283.20621	24.8
299.20001	38.1
301.21585	100.0
317.21149	53.8
319.22565	12.3
334.50586	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2794
Annotation	Vibsanin S
Peak:m/z	Relative Intensity
55.01886	2.4
55.05513	43.8
57.07068	4.7
65.03928	4.1
67.05500	11.8
69.03426	7.1
69.07065	7.4
71.58759	3.2
73.48631	2.0
79.05494	8.4
81.07062	13.8
83.04985	100.0
83.08625	4.6
84.05310	3.2
85.06481	2.4
91.05484	12.0
93.07040	29.2
95.04976	15.0
95.08606	27.2
98.83592	2.2
99.08093	9.1
105.07028	13.1
107.08592	45.1
109.06495	3.5
109.10147	12.3
111.04413	2.5
111.08072	5.6
113.06036	2.1
117.07026	3.2
119.08570	21.2
121.06541	4.2
121.10146	23.8
123.08080	8.4
123.11718	3.8
125.06002	4.1
125.09625	17.8
131.08578	7.6
133.10136	22.4
135.08069	4.6
135.11710	27.6
139.07535	11.0
143.08551	3.6
144.09377	2.9
145.10092	11.7
147.11652	12.0
149.09654	3.8
149.13248	13.5
151.07553	33.8
151.14861	2.2
157.10127	5.3
159.11705	19.9
161.13252	7.0
163.14752	3.4
165.12787	3.0
167.14359	2.4
171.11694	4.6
173.13280	6.9
175.11182	5.1
175.14848	5.0
177.12770	37.1
185.13347	2.5
187.14850	6.0
189.12814	3.0
191.10715	3.0
193.12141	2.2
195.13829	12.3
199.14954	4.1
201.12695	2.4
203.14352	7.4
203.17952	3.2
205.12222	6.0
217.12260	2.4
219.06514	2.1
227.14340	2.2
245.15486	5.0
255.21043	4.5
299.19974	11.8
301.21494	15.2
317.21292	3.1
319.22647	14.2
356.88553	2.8
373.27310	4.3
401.26874	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68563	3.0
55.01864	4.8
55.05510	35.4
57.03432	4.9
57.07056	9.0
64.91533	3.3
65.03951	4.1
67.05177	3.9
67.05505	60.7
67.46113	3.4
69.03413	6.4
69.07071	24.6
69.12111	3.3
69.52074	31.8
74.85023	3.0
79.05482	11.6
81.07059	43.2
83.04974	42.4
83.08612	9.9
85.06523	4.5
88.17809	3.3
91.05466	14.2
93.07033	31.5
95.04967	85.2
95.08599	69.2
97.06507	13.7
97.10165	6.5
99.08059	5.4
105.07017	34.1
107.08595	61.7
109.06490	9.6
109.10155	65.6
111.08075	13.4
113.42923	3.3
117.07006	6.9
119.08575	81.5
121.06509	10.1
121.10147	52.6
123.08075	20.3
123.11713	31.1
125.09613	4.0
131.08574	19.5
133.10127	57.0
135.08031	24.3
135.11700	34.9
137.09621	19.9
137.13234	10.1
143.08556	8.4
145.10123	39.9
147.08020	4.7
147.11682	39.7
149.09595	15.3
149.13249	14.4
151.11191	9.9
157.10089	21.2
158.10909	5.3
159.11681	47.7
161.09605	10.5
161.13252	23.6
163.11185	21.8
163.14827	6.1
163.54555	3.3
165.12715	9.4
171.11687	20.0
173.13269	23.5
175.11165	13.1
175.14836	12.5
177.12735	42.2
177.16368	6.0
185.13257	27.3
186.13988	4.5
187.14815	25.9
189.09062	5.6
189.12740	15.0
189.16316	12.4
191.10547	4.1
191.14351	3.4
197.13295	5.6
199.14801	20.0
201.16373	24.1
203.14305	11.8
205.15869	13.9
209.13240	5.8
211.14909	6.1
213.12701	4.7
213.16440	9.2
215.17947	4.6
217.15863	5.0
219.17430	4.2
223.14954	5.4
227.14366	6.2
227.17903	3.8
231.13707	5.8
239.18097	4.4
241.15944	5.3
241.19444	21.9
245.15344	6.1
245.22662	6.8
255.18484	4.4
255.21069	29.1
257.18912	7.2
259.20544	6.3
265.19492	5.6
273.22137	36.6
283.20566	42.4
301.21628	100.0
302.21790	5.8
319.22617	17.3
419.27847	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	419.279
Annotation	Pallinin
Peak:m/z	Relative Intensity
53.68563	3.0
55.01864	4.8
55.05510	35.4
57.03432	4.9
57.07056	9.0
64.91533	3.3
65.03951	4.1
67.05177	3.9
67.05505	60.7
67.46113	3.4
69.03413	6.4
69.07071	24.6
69.12111	3.3
69.52074	31.8
74.85023	3.0
79.05482	11.6
81.07059	43.2
83.04974	42.4
83.08612	9.9
85.06523	4.5
88.17809	3.3
91.05466	14.2
93.07033	31.5
95.04967	85.2
95.08599	69.2
97.06507	13.7
97.10165	6.5
99.08059	5.4
105.07017	34.1
107.08595	61.7
109.06490	9.6
109.10155	65.6
111.08075	13.4
113.42923	3.3
117.07006	6.9
119.08575	81.5
121.06509	10.1
121.10147	52.6
123.08075	20.3
123.11713	31.1
125.09613	4.0
131.08574	19.5
133.10127	57.0
135.08031	24.3
135.11700	34.9
137.09621	19.9
137.13234	10.1
143.08556	8.4
145.10123	39.9
147.08020	4.7
147.11682	39.7
149.09595	15.3
149.13249	14.4
151.11191	9.9
157.10089	21.2
158.10909	5.3
159.11681	47.7
161.09605	10.5
161.13252	23.6
163.11185	21.8
163.14827	6.1
163.54555	3.3
165.12715	9.4
171.11687	20.0
173.13269	23.5
175.11165	13.1
175.14836	12.5
177.12735	42.2
177.16368	6.0
185.13257	27.3
186.13988	4.5
187.14815	25.9
189.09062	5.6
189.12740	15.0
189.16316	12.4
191.10547	4.1
191.14351	3.4
197.13295	5.6
199.14801	20.0
201.16373	24.1
203.14305	11.8
205.15869	13.9
209.13240	5.8
211.14909	6.1
213.12701	4.7
213.16440	9.2
215.17947	4.6
217.15863	5.0
219.17430	4.2
223.14954	5.4
227.14366	6.2
227.17903	3.8
231.13707	5.8
239.18097	4.4
241.15944	5.3
241.19444	21.9
245.15344	6.1
245.22662	6.8
255.18484	4.4
255.21069	29.1
257.18912	7.2
259.20544	6.3
265.19492	5.6
273.22137	36.6
283.20566	42.4
301.21628	100.0
302.21790	5.8
319.22617	17.3
419.27847	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	419.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
54.29371	0.5
55.01855	1.7
55.05493	1.5
57.03429	0.8
65.03941	0.6
67.05489	1.6
68.99796	0.6
69.03410	2.2
69.07054	2.2
70.60659	1.9
71.05000	2.4
73.02908	0.5
74.67741	0.5
76.02241	0.6
79.05505	3.7
81.03416	0.9
81.06581	0.8
81.07061	12.7
83.04945	0.5
83.08615	1.5
85.02896	2.1
85.06549	0.7
91.05472	2.4
93.07059	5.5
95.04973	1.5
95.08617	4.3
97.02873	1.8
97.06519	1.7
99.08094	0.8
102.79472	0.6
103.05445	0.8
105.07018	4.2
107.04964	1.3
107.08596	8.6
109.02904	1.1
109.10154	4.7
111.00819	0.8
111.04410	0.5
117.06957	0.6
119.04990	0.6
119.08585	6.9
120.95757	0.5
121.02868	2.5
121.10142	2.1
123.11716	4.1
125.09630	1.0
126.18465	0.5
127.03927	1.1
127.11186	3.0
131.04912	0.8
131.08572	0.9
133.06537	0.9
133.10106	5.6
135.11700	16.6
136.12065	0.7
137.02341	0.6
137.09612	0.7
137.13257	0.7
143.10680	3.8
144.74942	0.5
145.06465	0.6
145.10132	1.1
147.04427	1.4
147.11659	3.3
149.13258	1.0
153.01826	3.5
153.12730	1.1
159.11641	0.9
161.05956	1.1
161.13239	2.3
165.01843	1.8
167.07076	4.4
168.07448	1.2
169.07568	0.8
177.05440	1.4
181.04976	2.9
183.02916	1.2
187.07547	0.6
191.07022	2.0
193.08655	0.8
203.17981	9.0
209.08054	1.6
213.05472	0.9
221.16823	0.9
221.19006	12.8
222.19368	0.8
239.20155	1.4
241.04916	1.0
249.11319	0.6
257.21228	0.9
258.05304	1.2
259.05942	0.7
287.05511	100.0
288.05835	10.0
315.08911	0.8
330.10812	1.3
375.08881	0.7
419.10675	2.8
419.16187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01869	9.6
55.05505	7.4
57.03432	6.8
57.07077	19.1
59.04991	2.8
61.02925	5.1
67.05505	3.5
68.99807	3.5
69.03434	31.1
69.07053	9.2
69.99770	10.6
70.00183	4.5
70.06594	23.6
70.29253	2.6
71.04993	24.9
72.08153	5.6
79.05488	9.4
81.03412	22.2
81.07051	25.1
83.04981	5.8
84.04482	4.1
85.02905	58.5
85.06544	9.2
86.09700	6.8
87.00822	28.0
90.13185	2.7
91.05489	17.3
93.07055	25.7
95.04967	4.5
95.08627	13.9
97.02888	22.9
97.06525	13.3
99.04442	5.9
100.90721	2.7
105.01845	20.6
105.07030	15.6
107.04969	3.5
107.08584	27.3
109.02864	15.6
109.06535	10.9
109.10155	10.5
110.07256	2.5
115.03951	10.6
117.01891	2.5
117.07020	4.5
117.20621	2.4
119.08580	22.0
120.08118	7.4
121.06492	2.5
121.10190	3.8
123.08078	4.2
123.11703	3.6
127.03928	32.3
128.06190	2.8
129.01817	5.3
129.07045	4.0
131.08568	11.9
133.06494	3.4
133.10097	3.7
135.11685	24.8
137.06088	2.8
137.09589	3.2
137.13258	8.1
139.07526	3.0
139.76701	2.6
141.12793	4.6
143.08565	8.1
145.04985	9.4
145.06436	2.8
145.10121	10.9
147.04410	6.2
147.08099	9.7
147.11693	3.5
149.02084	2.7
149.09584	4.0
149.63385	2.9
151.07520	3.9
151.11166	8.1
153.05486	2.9
153.12753	100.0
159.02930	10.9
159.11786	3.6
161.09564	3.4
163.03827	3.2
163.11206	3.7
165.12738	16.0
167.07043	5.1
171.08028	4.8
171.11783	3.2
171.13802	11.8
173.09637	15.8
173.13287	4.4
175.07620	3.2
175.11162	3.9
177.12767	7.1
189.03888	2.6
189.09068	3.4
189.12799	5.1
191.10786	4.1
197.13074	2.9
201.03935	4.0
201.09122	4.6
205.12030	2.7
207.13820	6.3
217.13403	3.0
219.13805	3.1
231.04977	9.0
243.13870	12.9
261.14957	8.4
298.52872	2.6
344.12384	3.6
345.13519	3.1
347.14731	4.9
365.15848	8.1
383.16937	6.5
419.23413	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	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.01856	5.0
55.05507	10.2
56.06633	1.4
56.09246	1.5
57.03425	4.6
57.07073	3.5
59.04996	4.1
61.02917	2.3
67.05505	12.6
67.74274	1.5
69.03424	19.8
69.07067	21.2
70.85985	3.0
71.04971	5.4
76.63576	1.5
79.05480	14.6
81.03422	12.7
81.06574	2.5
81.07053	39.3
83.04970	4.6
83.08613	10.9
85.02424	2.7
85.02900	34.1
85.06537	3.5
85.40969	1.3
87.00827	16.5
89.05990	2.0
91.05492	13.3
93.07037	100.0
94.07349	1.7
95.04971	4.3
95.08599	65.9
96.08913	1.6
97.02880	15.2
97.06536	14.9
99.04453	4.5
103.54025	2.0
105.01856	14.3
105.02482	2.1
105.07027	9.5
105.87537	1.6
107.04922	2.3
107.08587	83.7
107.26907	1.5
108.08878	2.3
109.02894	7.9
109.06513	3.4
109.10157	8.6
111.96555	1.4
115.07487	1.5
119.08573	3.7
123.11709	5.2
127.03909	18.5
128.27840	1.5
131.08513	1.9
133.10115	2.2
135.08046	2.3
135.11679	54.8
136.11963	2.0
137.13213	1.6
145.04959	6.0
147.08090	1.7
151.11180	9.6
153.12740	16.9
159.02847	4.4
163.03920	1.8
167.07037	9.1
171.13791	92.5
172.14102	2.2
181.04935	2.5
193.15829	4.7
209.07941	1.5
221.15355	6.9
231.04936	4.7
239.16483	3.2
315.08435	2.0
330.10971	1.8
365.15503	1.8
385.14230	1.5
419.29657	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.7
55.01868	5.9
55.05497	10.1
57.03418	7.1
57.07064	7.2
59.04982	5.2
61.02915	8.7
67.05510	21.1
68.99775	4.5
69.03075	3.7
69.03430	54.2
69.07071	45.3
71.04986	16.0
71.58413	3.4
73.02903	7.0
79.05497	16.1
81.03423	35.0
81.07057	52.0
83.04988	13.7
83.08608	7.6
85.02908	93.2
85.06553	4.4
87.00834	40.2
91.05486	16.4
93.07048	55.3
95.04977	23.3
95.08049	4.6
95.08609	51.8
97.02894	33.8
97.06547	21.0
99.04456	17.7
101.06023	13.2
103.05424	3.0
105.01862	44.6
105.07023	17.6
107.04935	4.0
107.08589	51.7
109.02877	32.6
109.06508	9.0
109.10157	66.8
111.04417	7.4
111.11724	4.0
113.08891	2.6
115.03899	3.2
115.07557	5.4
117.07002	4.0
119.08586	12.0
121.06487	7.4
121.10129	12.0
123.04436	3.2
123.11709	8.2
125.05984	4.1
127.03922	72.1
129.01871	4.2
131.08578	6.5
133.06479	6.1
133.10136	9.5
135.08057	5.3
135.10678	4.4
135.11693	73.6
137.09564	7.5
137.13258	9.0
143.08568	3.3
145.04965	24.9
145.06104	3.2
145.06461	2.8
145.10114	8.7
147.02916	3.8
147.11685	9.1
149.13274	3.9
151.07532	6.6
151.11191	6.0
153.11488	5.2
153.12744	100.0
154.13062	3.8
155.10674	9.6
159.02895	13.5
159.11696	8.4
161.09610	7.3
163.11232	5.4
165.12691	3.8
167.07031	10.2
171.13811	80.5
173.09572	3.2
175.11195	3.5
177.05464	4.3
177.12671	7.7
181.04889	2.7
183.11661	3.6
189.03912	5.3
189.12813	2.8
189.14821	3.4
193.12337	3.9
195.13750	5.8
201.12749	4.3
207.13799	4.2
213.03894	5.3
213.12747	6.3
215.14290	4.6
219.13860	3.4
231.04973	22.9
231.13818	8.6
243.13956	6.4
247.04378	2.6
249.06056	4.6
249.14911	4.4
261.14902	13.7
269.08145	2.3
279.15939	4.6
287.05319	6.1
353.15717	2.6
365.16068	4.4
383.16962	9.8
419.13287	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42926	1.1
53.03952	6.0
55.01878	7.7
55.05502	4.4
56.96560	1.3
57.03438	3.6
57.07067	1.5
59.05010	1.6
61.02920	4.4
67.05492	4.9
68.99798	2.7
69.03428	22.9
69.07060	5.6
70.06584	4.2
70.70211	3.5
71.04994	32.1
72.08154	4.5
73.02909	3.5
73.06553	4.5
79.05486	8.5
81.02972	2.2
81.03419	24.5
81.07056	28.4
83.04972	7.2
83.08626	1.5
84.04506	1.8
85.02905	52.9
85.06547	3.7
86.09701	11.1
87.00829	20.6
91.03945	1.7
91.05475	9.4
93.07042	20.7
94.14240	1.0
95.04964	4.0
95.08593	8.0
97.02888	18.8
97.06529	6.4
98.17560	1.0
98.97591	1.6
99.04440	9.5
103.03988	1.6
105.01874	13.6
105.07026	5.3
107.08597	18.1
109.02882	20.5
109.06512	6.1
109.10174	9.1
111.04430	1.3
111.08039	1.8
115.03939	1.3
116.07056	1.1
116.98586	1.4
117.01848	2.6
117.06995	2.8
119.04953	2.9
119.08576	3.7
120.08936	1.1
121.06519	2.2
121.10125	2.0
123.04403	1.9
123.08132	1.6
123.11691	9.3
127.03915	31.1
127.11205	2.7
129.01813	3.8
129.07063	1.4
130.07755	1.2
131.05023	1.2
131.08534	3.3
133.06387	2.1
133.10120	2.4
135.08083	2.2
135.11682	27.9
137.02362	1.5
137.09528	1.3
141.12740	48.6
143.08449	1.2
145.02853	1.7
145.04948	12.6
145.06082	1.6
145.10139	1.8
147.02855	2.0
147.04410	4.4
151.11209	2.7
153.12744	100.0
154.13091	2.6
155.14314	2.3
157.06503	2.0
159.02904	10.6
167.07047	1.7
167.10634	1.5
169.12155	5.7
171.08113	1.1
171.13802	78.2
172.14175	2.4
173.09685	2.1
173.13039	1.4
175.07556	4.4
177.05463	3.2
177.12735	1.7
179.07083	1.6
181.06528	1.3
181.12273	3.6
187.14952	1.6
189.03835	1.6
193.08638	2.7
195.13869	5.5
203.14017	1.9
231.04939	6.8
243.13751	1.4
261.14755	2.0
297.09399	1.3
302.21896	1.9
344.11435	1.3
383.16891	2.3
401.18112	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	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56876	4.1
53.03929	9.3
55.01871	6.6
57.03432	8.2
57.07060	18.4
61.02911	4.6
67.05502	8.1
67.80106	5.3
68.99773	5.1
69.03442	32.9
69.07051	16.3
71.04992	23.0
73.02934	7.6
79.05502	10.2
79.67066	4.0
81.03429	22.8
81.07061	60.4
83.04956	5.7
85.02911	62.6
85.06536	14.4
87.00836	30.0
91.05486	20.0
93.07043	42.1
95.08604	21.1
97.02884	31.2
97.06530	11.8
97.37198	4.9
98.20719	10.5
99.04433	9.0
103.05473	6.7
105.01858	31.3
105.07039	16.9
107.08594	34.6
109.02882	13.3
109.10139	17.8
111.08102	5.2
115.03921	10.7
117.06973	6.9
119.08572	19.3
121.02852	4.8
121.10120	5.9
123.08041	5.2
127.03125	5.9
127.03896	34.7
129.06970	4.3
131.04950	13.4
131.08575	15.1
133.10141	11.1
135.11702	34.9
137.13312	9.2
145.04962	8.5
145.10120	11.9
147.08044	12.1
153.12752	100.0
159.08080	8.1
165.09174	4.8
165.12746	8.5
167.07051	7.6
171.08052	7.9
171.13773	7.9
173.09641	10.3
175.07603	9.5
175.11276	5.4
193.08574	6.3
194.12288	4.4
201.03905	7.8
219.13884	5.4
231.04907	6.2
243.13785	14.0
261.14764	13.5
347.15015	6.5
365.15973	6.2
383.16989	7.2
439.76044	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	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.7
55.01863	11.0
55.05511	6.5
57.03430	10.2
57.07071	22.6
59.04978	4.0
60.08085	3.0
61.02922	8.5
64.24328	4.0
67.05495	10.9
68.99783	4.5
69.03429	31.9
69.07052	10.0
70.06576	3.8
71.04990	29.5
71.09146	11.0
73.02922	6.1
74.27727	3.6
75.93021	2.9
79.05477	16.2
81.03414	19.3
81.07056	49.7
83.04988	4.3
85.02902	57.5
85.06530	9.9
87.00832	28.7
91.05475	16.3
93.07043	26.1
95.04964	5.0
95.08610	19.6
97.02886	23.9
97.06548	8.2
99.04460	7.6
103.05466	20.8
104.64637	3.2
105.01871	24.0
105.07030	19.4
107.04971	4.8
107.08596	32.8
109.02869	15.2
109.06504	7.9
109.10161	11.7
115.03941	11.8
117.07005	3.8
117.46522	3.5
119.08590	14.6
121.02873	11.3
121.06497	7.3
121.10091	4.3
123.08034	4.3
123.11701	3.6
127.03916	30.9
129.01859	5.2
129.06985	4.2
131.04950	44.2
131.08543	4.1
133.04990	3.3
133.06529	4.8
133.10124	6.5
135.11691	30.6
137.06030	4.6
137.13269	13.1
143.08551	3.8
145.04964	13.2
145.10147	12.0
147.04419	4.2
147.08041	5.6
147.11725	4.6
149.06018	4.3
153.12741	99.1
159.02931	8.8
159.11601	3.9
161.09686	3.9
163.11172	4.3
165.12772	13.4
167.07018	11.8
171.08130	8.3
171.13847	11.3
173.09634	12.7
177.12770	5.8
181.04865	4.1
189.12793	6.7
191.10603	6.9
195.13667	3.8
219.01755	4.2
219.13988	4.3
231.05089	9.2
243.13799	11.5
261.14807	9.0
287.05490	100.0
288.05765	9.5
315.08698	3.7
347.14774	8.4
356.16116	3.7
365.15829	10.8
383.17029	7.8
396.24142	3.5
401.08817	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	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01859	0.9
55.05509	2.4
57.03418	1.0
59.04986	1.7
61.02904	0.6
67.05487	2.0
68.11678	0.5
69.03427	3.1
69.07069	2.9
69.62893	0.5
71.04990	14.3
71.59217	0.6
73.06551	4.4
79.05486	5.0
81.03397	2.5
81.06579	1.1
81.07053	20.6
83.04987	1.0
83.08632	1.2
85.02898	7.1
87.00821	3.3
90.57610	0.5
91.05483	3.3
93.06470	1.1
93.07040	13.9
94.07359	0.6
95.04971	0.9
95.08601	4.3
97.02879	2.7
97.06539	1.7
99.04436	0.9
105.01849	4.2
105.07013	1.7
107.08590	11.9
109.02848	1.4
109.06491	0.6
109.10146	2.7
111.08049	1.1
117.06963	0.8
119.08572	1.4
121.06490	0.5
123.04472	0.7
123.11678	0.5
127.03915	4.6
133.06458	0.7
135.11691	25.3
136.12019	1.3
145.04973	1.2
153.12741	100.0
154.13046	2.1
161.05998	0.8
167.07079	4.6
168.07370	1.3
171.13806	0.7
177.05463	0.8
179.45662	0.5
181.04965	1.7
191.07051	0.6
193.08557	0.6
231.05051	0.8
249.06084	0.6
293.36362	0.5
315.08615	0.9
330.10645	0.8
413.95111	0.5
419.16043	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
53.88350	1.9
55.01867	5.9
55.05498	3.3
67.05501	3.2
69.03428	3.6
70.06561	2.0
71.08614	2.0
71.56832	2.1
71.57211	3.7
79.05491	10.5
81.03413	7.8
81.07057	7.0
83.04990	2.4
85.02900	8.4
91.05470	8.1
93.07031	13.1
94.07373	5.0
95.04966	8.4
95.08603	3.5
97.02903	5.4
97.06563	2.8
98.97623	2.6
103.05482	5.4
105.01868	4.0
105.07028	9.8
106.07362	3.5
107.04954	13.6
107.08595	18.7
108.08927	7.6
109.02891	5.6
109.06551	4.2
109.10153	5.5
111.04439	2.2
115.05429	3.0
117.07013	4.8
119.04889	3.7
119.08572	5.2
121.06499	3.8
121.10155	3.4
123.04428	5.1
124.05273	4.0
125.05978	3.9
127.03894	9.1
129.07011	2.9
131.04907	8.4
131.08577	6.0
133.06470	7.5
133.10114	5.1
134.06880	2.1
135.08043	4.7
135.11691	17.3
136.12038	15.7
144.05746	4.3
145.04990	2.2
145.06506	5.1
147.04410	4.4
148.05157	3.6
149.05969	6.1
151.03951	2.4
151.07536	2.5
152.04616	2.1
153.05475	4.5
154.06232	2.4
156.05724	3.1
159.08067	7.7
161.05991	9.9
162.06351	3.8
163.07529	2.8
165.05470	2.4
167.03304	3.2
167.07037	75.6
167.08412	5.1
168.07312	12.4
169.07599	3.0
171.06483	3.1
173.06021	4.1
177.05481	8.2
180.07831	7.5
181.04944	22.5
181.08331	6.2
182.05301	7.5
183.06570	4.4
187.07507	6.2
188.03302	2.4
189.12743	2.3
190.06258	2.8
191.07050	15.1
192.07605	2.1
193.08592	8.4
194.09056	3.1
200.60455	2.2
200.62331	2.9
205.08580	8.3
207.06474	2.2
208.05208	11.8
209.08023	14.9
213.51207	2.1
217.08533	11.5
219.06470	2.8
219.10068	4.4
221.05949	2.6
236.04663	6.3
247.07498	5.1
247.09715	10.0
248.08101	2.9
254.05797	7.4
263.10767	2.8
264.07584	2.3
268.03500	3.2
269.08066	16.0
271.06171	2.5
272.06747	3.3
282.05374	4.3
282.08777	4.6
287.09180	3.0
291.10135	4.2
307.09720	4.2
315.08597	71.3
316.09067	2.9
319.09567	2.6
323.12726	5.4
325.10483	3.6
330.10968	100.0
331.11597	6.1
337.10886	2.6
339.12302	2.7
343.11816	7.3
351.12280	12.2
352.13034	3.4
369.13394	6.1
383.14944	16.6
401.16321	11.3
401.21112	2.0
414.26886	2.3
419.15973	8.6
419.29556	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	419.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05507	0.3
57.03444	0.4
62.29655	0.3
65.03934	0.5
67.01835	0.3
67.05505	0.7
68.99812	0.4
69.03424	0.8
69.07056	0.5
70.06575	0.5
70.20900	1.0
70.42030	0.2
71.05010	0.3
79.05473	1.9
81.03422	0.4
81.07032	0.8
83.02824	0.3
83.04987	0.7
84.04514	0.3
85.02904	0.9
86.09693	0.6
91.05476	1.2
93.07045	0.9
95.04951	0.9
95.08590	0.3
97.02888	0.6
97.06535	0.5
103.05467	1.3
105.03387	0.5
105.07030	6.7
106.07394	0.3
107.04949	1.2
107.08610	0.4
109.02874	0.4
109.10130	0.8
109.72152	0.3
111.00800	0.8
115.05450	1.6
117.07030	0.3
117.22169	0.3
118.04151	0.4
119.04916	0.4
119.08604	0.4
120.08100	0.3
121.02868	2.8
121.06496	0.4
121.10119	0.4
123.04449	0.5
127.03944	0.6
128.06256	0.3
131.04941	0.7
133.02875	0.6
133.06487	6.9
133.10141	0.3
135.07964	0.3
137.02353	1.0
137.06006	0.4
145.06482	0.8
147.04414	0.8
148.05162	0.3
149.02333	0.5
149.06015	0.5
153.01826	4.1
153.12724	0.5
157.06461	0.7
161.05995	8.6
163.07559	0.5
165.01820	2.1
167.07031	4.3
168.07404	2.0
169.07547	1.6
171.04504	0.3
171.13837	0.5
173.06075	0.3
175.07581	0.4
177.05481	1.0
181.04965	4.9
181.06499	0.3
182.05289	0.4
183.02879	0.7
185.05904	0.5
191.07059	1.8
193.08618	9.0
194.88379	0.3
197.05930	0.2
201.34221	0.3
213.05457	1.2
213.12549	0.3
219.10091	0.4
231.06525	0.8
235.09714	0.5
241.04944	1.1
245.04491	0.4
246.05002	0.3
247.09641	0.4
258.05322	1.3
259.05994	0.4
287.05505	100.0
288.05859	4.7
389.15128	0.8
401.16440	0.3
419.09814	1.1
419.16205	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01872	29.2
55.05498	15.6
56.96544	8.6
57.43206	6.8
61.61617	7.7
61.70827	7.3
65.03944	13.8
67.05495	22.8
69.03426	22.4
69.07079	12.8
70.06576	7.3
70.15281	29.0
70.15694	14.0
71.08617	8.6
73.02925	10.2
79.05496	34.3
81.03422	18.5
81.07050	37.1
83.05006	15.0
85.02911	37.3
86.09183	8.4
87.00842	13.0
91.05471	26.9
93.07038	21.9
95.04964	17.2
95.08599	31.7
97.02901	36.8
97.06520	49.6
100.11279	9.5
103.05482	37.3
105.01895	10.5
105.07031	25.3
107.04961	36.2
107.08582	21.5
109.02885	14.0
109.06488	12.1
109.10123	17.3
115.05474	14.2
117.06995	11.4
119.04951	28.3
119.08595	14.0
121.02875	21.1
121.10150	14.7
123.04424	18.5
124.05228	7.6
127.03901	17.6
129.07027	9.7
129.10269	8.1
131.04942	87.7
131.08560	17.3
133.06497	9.4
133.10158	13.7
135.11688	23.6
136.77013	8.3
137.05978	17.9
142.07854	7.6
145.05006	11.4
145.06422	11.6
145.10155	9.7
147.04442	66.0
149.02304	12.5
153.12746	12.6
159.08037	19.6
161.06004	32.6
163.03856	10.9
167.07016	100.0
168.07355	27.2
173.06085	8.9
177.05469	24.4
181.04967	67.4
183.11844	8.9
187.07571	18.1
191.07071	37.9
193.08717	20.5
207.06720	10.6
209.08148	26.4
215.06912	17.3
217.08540	10.4
221.08084	8.3
249.11162	22.6
253.10159	9.5
269.08105	20.1
282.09122	9.4
287.05569	57.8
305.04443	9.2
307.09647	11.1
315.08685	68.4
323.13025	7.7
330.11026	90.7
342.17029	8.5
343.11679	14.9
351.12637	14.7
369.13339	18.3
371.15201	8.7
383.14929	22.3
389.15771	11.0
401.16052	30.7
419.11093	33.9
419.16565	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05279	0.5
52.49712	0.5
56.96554	0.5
67.05502	0.7
67.79723	0.5
67.91327	0.5
69.03417	1.0
70.06579	0.5
71.58356	0.7
71.58791	0.7
72.08148	2.1
74.03204	0.5
79.05513	0.5
85.02898	1.1
86.09715	1.8
87.05591	0.6
93.07040	0.5
97.02919	0.8
98.97639	0.5
99.92352	0.5
100.99202	0.5
107.08590	0.5
115.03955	0.5
116.98599	0.8
119.01937	0.7
119.04971	0.7
120.08105	0.9
125.85217	0.4
126.26544	0.5
127.03936	1.4
137.05946	0.5
145.09981	0.6
147.04433	1.6
151.75288	0.4
154.88911	0.4
158.99673	0.6
159.11343	0.5
161.02963	1.3
166.08627	0.5
169.42336	0.5
175.02812	0.6
185.02950	0.8
190.96326	0.7
199.80658	0.5
203.04001	1.2
219.01717	0.7
226.24452	0.5
237.02728	0.6
242.73761	0.5
275.06100	1.2
287.10645	0.6
302.22021	0.6
333.07813	1.3
394.82654	0.5
419.15289	100.0
420.15543	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	419.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.57565	1.6
57.03473	1.8
67.05509	2.4
69.07069	5.1
69.28659	20.7
79.05506	9.9
81.03444	3.2
81.07055	11.4
83.04976	2.4
84.08277	1.6
85.02904	3.4
87.81776	1.7
91.05495	5.0
92.56432	1.5
93.07082	1.9
95.04985	4.2
95.08605	7.1
97.02908	2.8
97.06541	3.4
99.27690	1.6
103.05466	6.4
105.07041	6.5
107.04947	12.2
109.10158	2.4
110.30902	1.7
111.04475	2.8
119.08575	2.8
123.04433	3.6
123.11804	1.7
129.07025	2.9
131.04948	12.6
131.08577	6.7
133.06522	3.0
133.10229	1.7
137.13271	2.4
144.05763	3.2
145.06456	3.1
147.04442	7.3
153.05487	2.6
156.05716	5.1
159.08083	5.7
161.05971	5.1
167.07065	52.5
168.07364	4.2
173.06049	5.8
174.06647	2.0
179.07018	2.5
180.07802	2.0
181.05037	8.6
181.06378	1.8
187.07646	4.9
190.06241	2.6
191.07019	4.5
205.08649	6.1
207.06482	2.2
208.05220	12.2
209.08109	3.9
210.06631	1.8
217.08638	13.6
218.07405	3.0
219.10146	4.0
221.06107	2.5
229.08650	1.9
233.09717	2.0
236.04730	6.5
247.07451	4.2
247.09714	12.1
248.08310	3.4
249.11305	2.2
254.05791	8.2
267.06659	2.0
269.08170	17.3
271.09637	2.7
272.06866	2.1
276.07959	1.9
277.08566	3.1
282.08881	4.1
285.07642	2.5
287.05524	3.1
291.10269	5.6
301.07126	3.4
307.09674	4.2
308.10574	2.1
310.08368	2.9
315.08627	67.7
316.09064	3.8
319.09656	2.3
323.12897	4.2
328.09512	3.1
330.10989	100.0
331.11633	6.1
337.10535	2.9
339.12296	6.3
343.11728	9.1
351.12393	10.2
352.12943	3.1
353.09836	2.7
356.28180	1.8
369.13455	5.3
383.14920	16.4
401.15952	8.4
419.10605	2.8
419.18878	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	419.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.1
55.01866	0.1
55.05482	0.1
57.03424	0.1
57.07062	0.1
60.04505	0.1
65.03934	0.1
67.01855	0.1
67.05479	0.2
68.99783	0.5
69.03432	0.3
69.07059	0.1
69.99570	0.3
70.06564	0.1
71.01350	0.1
71.04973	0.1
71.55057	0.0
73.02882	0.1
74.09692	0.0
79.05489	0.3
81.03400	0.1
81.07048	0.2
83.04952	0.1
84.04491	0.1
85.02907	0.4
85.06535	0.1
86.09688	0.2
87.00807	0.1
87.04453	0.1
91.05456	0.2
93.07002	0.1
95.04961	0.2
95.08582	0.1
97.02871	0.2
98.20826	0.1
99.04478	0.1
99.08070	0.1
103.05446	0.2
105.03374	0.3
105.07022	0.5
106.95387	0.1
107.04946	0.4
107.08582	0.1
109.02864	0.4
109.10117	0.1
110.91917	0.0
111.00809	0.8
111.04429	0.1
111.08070	0.1
111.96417	0.0
115.03900	0.1
115.05457	0.2
117.07053	0.1
119.04922	0.1
119.08559	0.2
120.68683	0.0
121.02863	2.9
121.06482	0.1
121.10063	0.1
127.03933	0.3
129.07007	0.1
131.04874	0.1
133.02852	0.5
133.04927	0.1
133.06497	0.6
133.10126	0.1
135.04390	0.2
135.08037	0.1
136.07611	0.1
137.02344	0.9
137.06007	0.1
141.06949	0.1
145.04895	0.0
145.06458	0.2
147.04402	0.8
147.08034	0.1
149.09558	0.1
151.03880	0.1
151.11221	0.1
153.01822	3.9
153.12770	0.1
154.02251	0.1
155.14259	0.1
157.06456	0.4
161.05972	1.0
163.07631	0.1
165.01833	2.0
165.03224	0.1
167.06998	0.3
169.06361	0.1
171.02927	0.1
171.04355	0.3
171.13802	0.0
173.12877	0.1
175.03970	0.1
175.07373	0.1
177.05476	0.1
179.03400	0.0
181.04965	0.5
183.02879	0.9
185.05954	0.6
189.05435	0.2
191.07018	0.1
193.05017	0.1
193.08595	0.7
194.02045	0.1
197.05966	0.2
199.03880	0.1
203.03400	0.1
203.07040	0.2
213.05460	1.4
217.04974	0.1
219.13475	0.1
229.04921	0.1
231.06506	0.8
235.09605	0.1
241.04929	1.0
243.06493	0.1
245.04362	0.1
258.05237	1.3
259.06012	0.5
269.04480	0.2
286.04404	0.1
287.05484	100.0
288.05829	2.9
391.32388	0.1
419.09702	1.6
419.15466	0.2
420.09949	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	419.0974
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
53.03946	0.5
55.01867	0.3
57.03443	2.7
61.02911	0.5
64.97236	0.3
67.05518	0.4
68.99798	0.7
69.03075	0.5
69.03430	7.5
69.63123	1.5
69.63544	0.9
71.04982	0.5
74.86932	0.3
75.04466	0.3
81.03411	1.0
81.07038	0.5
85.02908	5.6
86.03256	0.7
87.00833	1.0
87.04469	3.5
91.05486	0.4
93.07035	0.5
95.04987	0.5
95.08598	0.9
97.02905	5.0
98.03232	0.7
98.21478	0.6
99.04440	0.4
103.05434	0.4
105.01884	1.6
107.04952	0.4
107.08584	0.7
109.02863	0.7
109.10159	0.9
111.00782	0.7
115.03941	3.0
121.02075	0.6
121.02878	4.0
127.03919	2.3
128.04259	0.9
131.04922	0.9
133.05003	1.6
135.11652	0.7
144.43781	0.4
145.04968	1.5
145.06497	0.3
146.05263	0.5
147.04430	1.2
153.01830	3.3
153.05478	0.7
153.12747	1.2
154.05847	0.4
157.06516	0.4
159.02895	0.4
165.01851	1.3
167.07021	0.4
183.02887	1.0
185.05951	0.5
203.07140	0.3
213.05475	1.3
241.04926	0.7
258.05289	1.2
259.06055	0.4
283.05951	0.3
287.05511	100.0
288.05795	2.6
299.05536	3.9
300.06158	0.4
311.05615	0.4
329.06592	4.7
337.07184	0.6
353.06747	0.5
365.06540	0.4
371.07703	0.4
383.07666	1.4
419.09814	1.8
419.18930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0974
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
53.81265	0.1
54.35806	0.1
55.01858	0.1
55.05486	0.1
57.03432	0.1
57.07068	0.1
58.80586	0.1
65.03931	0.1
67.05495	0.2
67.11453	0.1
68.99781	0.5
69.03407	0.3
69.07055	0.1
69.99104	0.3
70.06585	0.1
72.08121	0.1
73.94910	0.1
78.04711	0.1
79.05488	0.3
81.03411	0.2
81.07044	0.2
83.04964	0.1
83.08586	0.1
85.02902	0.5
86.09687	0.3
87.04438	0.1
91.05464	0.3
93.07036	0.1
95.04956	0.2
95.08588	0.1
97.02884	0.3
97.06513	0.1
98.21394	0.1
99.08057	0.1
103.05466	0.2
105.03371	0.4
105.07031	1.0
107.04940	0.4
107.08557	0.1
109.02877	0.4
109.10132	0.1
111.00816	0.8
111.04440	0.1
111.08055	0.1
115.05480	0.3
117.06978	0.1
118.04118	0.1
119.04921	0.2
119.08548	0.2
120.08062	0.1
121.01992	0.1
121.02866	2.7
121.06528	0.1
125.09715	0.1
127.03876	0.2
129.07024	0.1
131.04924	0.2
131.08549	0.1
133.02855	0.6
133.06485	0.8
133.10120	0.1
135.04387	0.2
135.08104	0.1
137.02344	0.8
137.05980	0.1
141.07010	0.1
145.04932	0.1
145.06491	0.3
145.10199	0.1
147.04414	0.9
149.05933	0.1
151.11197	0.1
153.01834	4.1
153.12738	0.1
155.14201	0.1
157.06494	0.4
161.05988	1.1
165.00529	0.1
165.01840	2.1
167.07095	0.4
169.06332	0.1
171.02968	0.1
171.04491	0.3
171.13832	0.1
173.05989	0.1
173.12852	0.1
175.03976	0.2
175.07591	0.1
177.05479	0.2
181.04948	0.7
183.02905	1.1
185.05988	0.4
189.05486	0.2
191.07059	0.2
193.08603	1.3
197.06004	0.2
199.03807	0.1
203.03371	0.1
203.07056	0.2
213.05486	1.6
216.04260	0.1
229.04904	0.1
231.06503	0.8
235.09694	0.1
237.02469	0.1
241.04999	1.0
243.06403	0.2
245.04480	0.2
247.09599	0.1
258.02481	0.1
258.05252	1.3
259.05978	0.6
268.04022	0.1
269.04431	0.2
276.92944	0.1
286.04538	0.2
287.05493	100.0
288.05835	3.1
288.09183	0.1
299.05847	0.1
331.61108	0.1
336.01083	0.1
366.94913	0.1
419.09659	1.6
419.14828	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	419.0975
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.34259	0.1
57.34914	0.1
68.99798	0.4
69.03427	0.1
70.05943	0.6
73.64534	0.1
79.05489	0.2
79.11234	0.1
85.02911	0.1
87.04480	0.1
92.37393	0.1
94.98640	0.1
95.04996	0.1
97.02897	0.1
98.20876	0.2
103.05482	0.1
105.03410	0.3
107.04951	0.4
109.02881	0.3
111.00822	0.9
112.83022	0.1
121.02885	2.9
133.02849	0.5
135.04391	0.1
137.02359	0.8
145.06508	0.2
147.04381	0.6
153.01845	4.3
157.06488	0.5
161.06007	0.2
165.01860	1.9
171.04405	0.2
171.29982	0.1
173.06053	0.1
183.02931	0.9
185.05971	0.5
197.05969	0.2
203.07111	0.2
212.95717	0.1
213.05472	1.8
229.04865	0.1
231.06502	0.7
241.04945	0.9
243.06529	0.1
258.05286	1.3
259.05957	0.5
269.04517	0.3
287.05518	100.0
288.05853	3.3
329.06616	0.2
419.09723	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0972
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
51.89187	0.2
53.03927	0.4
55.01866	0.5
57.03438	6.8
61.02922	1.8
65.03926	0.6
67.05493	0.6
68.99785	0.7
69.03436	1.3
69.07072	0.3
69.41127	2.6
70.48927	0.3
71.01354	0.4
73.02921	12.7
79.05489	0.3
81.03393	0.5
81.07063	0.7
85.02894	0.9
87.00755	0.3
91.05483	0.6
93.03378	0.4
93.07019	0.7
95.04955	1.0
95.08603	0.5
97.02881	2.0
97.06555	0.5
98.20729	0.5
103.05474	9.6
105.03417	0.3
105.07061	0.6
107.04973	0.4
107.08559	0.6
109.02872	0.4
111.00793	0.5
111.04459	0.4
115.03949	1.1
119.04901	0.4
120.28070	0.2
121.02863	5.9
125.02290	0.4
127.03919	0.3
131.04932	25.0
133.02844	0.4
133.06482	0.3
135.11694	0.3
137.02328	1.1
139.03827	0.3
147.04399	1.3
153.01831	3.7
157.06483	0.5
157.99832	0.3
161.05972	0.6
165.01869	1.7
167.03418	0.9
167.07016	0.6
181.04858	0.4
183.02875	1.3
185.06032	0.3
208.90199	0.3
213.05498	1.5
231.06566	0.5
241.04984	0.8
258.05252	0.9
287.05502	100.0
288.05881	2.7
315.08524	0.3
401.08859	0.5
419.09570	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58213	0.3
67.62061	0.3
71.57860	0.6
71.58215	0.4
88.69093	0.3
94.93022	14.7
107.93256	0.4
118.08657	0.8
120.94556	1.7
136.94032	100.0
148.94032	32.8
150.95622	0.5
156.04243	1.0
158.04024	1.2
162.95607	0.5
166.32567	0.4
166.95096	58.2
178.95094	2.7
190.95129	1.4
196.96143	19.9
197.75865	0.3
208.96155	2.6
220.96223	1.9
238.97215	2.5
241.51279	0.3
256.98267	17.2
260.64920	0.4
419.03549	25.0
424.23380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.8
58.94395	2.1
67.05507	12.4
69.07075	5.4
69.97484	6.7
69.97900	5.4
79.05486	8.0
81.07059	15.5
83.04995	14.6
83.08615	5.3
91.05482	8.4
93.07058	18.7
95.05001	3.2
95.08615	56.8
96.08963	2.1
97.10176	3.3
105.07014	14.5
107.04967	2.8
107.08601	24.7
109.06459	2.7
109.10166	20.0
111.04450	5.7
117.07074	4.2
119.08588	21.6
120.08945	6.2
121.10116	17.3
122.62194	2.3
123.11710	7.7
125.06018	4.4
131.08566	5.3
133.10097	16.3
135.08035	3.7
135.11679	16.7
137.09647	2.4
139.07538	2.2
143.08560	5.0
144.18126	2.3
145.10161	7.3
147.08031	2.4
147.11688	10.1
147.37003	2.1
149.13272	8.1
151.11163	3.0
155.00943	2.2
155.08656	2.2
157.10139	6.9
159.11662	10.4
161.09641	4.2
161.13274	3.9
163.07582	2.3
163.14841	2.5
169.10063	3.0
171.11763	3.3
173.13277	4.8
175.14796	3.5
179.10732	5.0
185.13297	4.6
187.11183	5.4
187.14861	4.5
191.10666	3.9
197.13261	2.5
199.14908	3.9
201.12704	2.3
201.16347	4.8
203.17996	5.1
205.12283	5.6
207.13844	2.0
217.12286	3.5
219.13907	2.3
222.42986	2.0
227.14417	2.4
231.13887	5.9
236.63054	2.2
239.17949	3.5
241.19649	3.3
245.15468	6.7
255.21086	5.9
258.19467	2.7
265.19321	2.5
283.20615	8.6
299.20074	2.8
300.20404	8.9
301.21634	100.0
301.25058	4.9
302.22015	4.7
317.21167	3.1
318.21494	13.9
439.61963	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
59.05003	34.9
59.80632	0.8
65.69685	0.7
67.05505	2.3
69.07052	4.3
70.64779	2.6
73.68335	0.7
79.05473	1.6
80.73874	0.8
81.07059	1.3
82.74771	0.7
83.04980	1.4
83.08639	1.0
91.05489	6.4
93.07035	2.3
95.08607	2.1
105.07030	20.9
107.08587	3.1
109.06548	1.3
109.10151	1.5
111.04449	7.0
117.07032	2.3
119.08588	5.1
121.10155	2.0
128.06213	1.0
129.06995	3.4
131.08569	13.4
133.10135	2.3
135.08057	4.7
141.07039	2.7
142.07787	2.7
143.08575	7.8
144.09258	0.9
145.10126	7.5
147.11714	1.5
149.09662	1.3
155.08557	21.1
156.09358	1.8
157.10135	20.8
159.11697	23.3
160.12054	1.1
161.13264	2.1
165.06993	1.3
167.08588	2.8
168.09306	0.9
169.10143	7.4
171.11681	15.0
172.12148	0.7
173.13272	3.4
175.14830	2.2
179.08562	2.8
180.09331	1.0
181.10101	9.3
182.10811	0.9
183.08008	1.7
183.11678	6.8
185.09624	2.1
185.13272	6.8
187.14684	1.1
193.10138	2.6
195.11687	7.7
196.12483	2.6
197.09618	0.9
197.13245	4.1
199.14847	1.5
203.14330	1.6
205.10124	0.8
205.15860	2.0
206.10852	0.9
207.11710	1.6
209.09557	1.3
209.13272	7.5
211.11269	1.6
211.14832	20.0
212.15189	0.9
213.16402	22.0
214.16728	0.8
217.12466	0.8
220.12334	1.1
221.13272	4.6
222.14078	1.6
223.11214	2.1
223.14912	1.1
225.16348	1.1
227.10706	0.9
227.17918	8.4
231.11664	1.4
235.14729	4.9
237.12769	1.0
237.16379	20.3
238.16785	0.9
239.14313	4.2
251.14296	1.0
251.17928	3.9
253.15894	2.7
255.17439	38.4
256.17834	1.0
257.15359	8.0
261.16382	4.8
271.16943	1.0
273.18491	7.0
279.17444	11.2
297.18533	19.3
298.18698	0.9
315.19553	100.0
316.19876	3.5
319.03354	0.8
397.56769	0.9
418.25998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99788	0.9
53.64621	0.9
56.96561	3.1
65.14296	0.9
69.03437	3.1
70.06606	1.3
71.22395	1.2
71.22727	1.6
72.08150	2.3
74.06078	1.3
76.28148	0.9
76.40878	0.9
79.05457	1.0
79.95860	0.9
81.03410	1.3
81.07066	3.8
83.04996	1.5
84.96004	0.9
85.02926	7.7
86.09702	4.3
87.04443	2.4
89.06042	64.8
91.05489	3.8
93.03371	1.1
95.08615	3.3
97.02895	3.2
98.77075	1.0
98.97594	2.2
99.17112	1.0
105.07072	1.6
107.07079	2.7
107.08612	2.3
109.02843	1.0
109.10174	2.3
111.04498	1.2
112.07719	1.0
116.98662	1.2
119.04974	4.6
119.08533	2.1
121.10152	1.4
127.03951	3.6
133.08630	28.7
133.09677	1.4
133.10181	2.4
135.08038	1.4
140.47504	0.9
143.00177	1.2
146.10484	1.2
147.04442	17.1
147.11739	1.5
147.16962	1.1
148.04759	2.1
151.09662	1.9
152.07079	1.2
157.92857	0.9
161.01245	2.4
170.08160	1.0
173.12914	2.0
177.05515	1.1
177.11253	6.2
195.12317	2.8
201.12460	1.3
209.34331	1.0
213.04335	1.4
222.46707	1.1
237.02809	2.8
237.65768	1.0
239.02338	3.4
239.14925	100.0
240.15260	2.0
249.02711	1.0
257.03485	2.8
300.20306	1.4
301.21674	4.6
318.21454	2.8
349.06180	1.0
413.07474	3.1
419.15222	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
55.01864	10.5
55.05496	3.1
57.03433	5.3
61.02921	4.1
67.05502	7.1
68.99802	2.0
69.03425	34.8
69.36958	1.8
69.54181	7.7
69.54611	6.6
71.04980	4.2
73.02917	6.5
79.05491	17.3
81.03416	27.1
81.07053	6.0
81.19051	1.7
83.04954	3.9
85.02903	100.0
87.00829	34.7
91.05473	7.7
93.07040	40.1
95.04974	7.0
95.08585	4.1
95.91153	1.8
97.02894	33.1
99.04455	16.8
103.05438	3.9
105.01860	61.6
105.02564	3.3
105.07029	7.8
107.04909	2.0
107.08595	31.5
108.04471	4.6
109.02878	31.6
109.10152	2.8
111.04443	2.4
117.01840	3.6
119.08595	5.1
120.99733	1.7
121.02853	2.4
121.10119	3.2
123.04464	3.2
126.05502	2.1
127.03912	78.2
128.04268	1.7
129.01823	3.0
131.04916	14.5
133.10100	4.7
135.04358	1.9
135.11699	34.6
145.04959	39.2
145.10115	2.4
147.02904	2.7
159.02899	22.0
167.07068	18.7
168.07375	7.0
171.11612	3.1
173.05983	2.2
177.04057	2.0
181.04919	4.4
182.05400	2.6
189.03860	2.3
213.03905	3.7
230.06615	1.9
231.04951	23.5
243.13857	6.6
248.07751	2.7
249.06084	4.5
261.14838	5.2
301.21478	2.2
347.14880	2.9
388.14853	2.3
418.15729	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	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86927	0.6
53.03940	1.4
55.05490	1.7
59.74006	0.7
65.03945	1.2
69.03421	2.4
69.07059	0.8
71.59735	1.0
76.58891	0.9
79.05493	4.6
81.03420	1.3
81.07035	1.2
82.85931	0.8
85.02892	5.4
86.06097	0.7
87.00838	1.6
91.05487	9.9
93.07041	52.6
94.07352	1.1
95.04967	2.6
95.08561	1.2
97.02888	4.3
99.04430	1.0
105.01861	5.0
105.07024	5.2
107.08588	100.0
108.08929	2.3
109.02879	1.5
109.06515	2.3
119.05991	0.8
119.08564	1.3
120.18935	0.7
127.03897	7.3
135.11685	64.7
136.12018	1.0
145.04968	4.4
152.14339	5.4
167.07039	7.0
168.07391	4.0
181.05014	2.2
182.05310	1.2
185.78380	0.7
188.92821	0.7
197.39241	0.6
231.05064	2.7
249.06030	1.1
250.71123	0.8
276.64386	0.8
379.05240	0.7
418.15710	2.7
418.29068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.9
53.70432	1.8
55.01846	2.3
55.05505	4.7
57.03437	2.0
67.05508	4.5
69.03426	15.4
70.77390	5.8
73.02891	3.1
78.74303	2.1
79.05492	29.3
81.03407	9.6
81.07075	4.3
85.02905	32.0
86.38025	2.0
87.00816	18.0
91.05479	18.1
93.07043	100.0
94.07376	2.3
95.04976	7.5
97.02898	14.1
99.04458	6.3
105.01864	28.7
105.07028	4.4
107.08599	85.0
108.08891	1.9
109.02888	8.2
127.03911	30.4
135.11693	88.4
136.12036	4.8
145.04971	15.8
145.06467	3.6
159.02965	5.4
167.07039	29.6
168.07387	15.9
173.05995	2.2
174.06320	3.2
181.04921	6.9
182.05302	4.5
189.03976	3.2
206.01744	2.0
206.09007	2.0
231.04915	12.3
234.08350	2.9
249.06091	7.1
331.34821	2.0
388.14734	6.0
418.15878	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	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03933	1.3
53.93778	0.5
55.01857	0.7
55.05494	2.4
56.29379	0.5
57.03431	0.5
65.03921	1.0
67.05489	1.5
67.57906	0.6
69.03423	3.3
69.07071	0.9
71.04989	0.7
71.59688	1.0
73.02933	1.1
79.05495	6.4
81.03409	2.7
81.07043	1.4
85.02901	8.0
87.00813	2.8
91.05479	11.5
93.07041	30.6
95.04958	2.2
95.08612	0.7
97.02895	5.0
99.04452	1.5
99.09146	0.5
105.01863	3.9
105.07030	6.6
107.04919	0.6
107.08591	68.2
108.04404	0.5
108.08898	1.4
109.02866	1.1
109.06500	3.0
109.10167	1.2
117.07010	1.0
119.06027	0.7
119.08568	3.5
120.09346	0.8
127.03910	8.1
133.10103	1.1
135.11687	100.0
136.12035	2.8
145.04941	4.6
152.14348	0.7
159.02884	1.0
167.07019	4.1
168.07341	2.1
177.05417	0.7
181.04918	1.0
182.05251	0.7
231.05031	3.3
249.06117	1.9
278.69019	0.5
284.09906	1.0
400.28693	0.7
418.15732	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23218	1.1
53.03949	3.2
55.05493	2.2
61.70699	1.2
65.03946	1.5
69.03420	4.2
69.07071	1.7
69.43125	3.9
69.43546	8.1
79.05500	6.0
80.32686	1.2
81.03414	4.5
85.02903	11.2
87.00811	5.4
91.05473	18.2
93.07039	95.8
95.04951	5.0
95.08592	1.3
97.02897	9.2
99.04456	1.4
105.01887	7.2
105.07011	4.6
107.08588	84.2
107.77047	1.5
108.08942	1.4
109.02855	2.3
109.06520	2.2
119.08553	1.8
127.03915	11.9
135.11681	100.0
136.12007	2.8
145.04953	9.5
152.14325	2.3
159.02844	2.8
167.07031	6.7
168.07405	3.2
181.04967	2.1
231.05054	3.0
340.11865	1.3
368.65598	1.4
418.15601	4.1
427.73834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26639	0.6
52.65411	0.5
53.03938	2.5
55.01862	0.9
55.05503	4.5
57.03431	0.8
57.07070	0.8
60.04524	0.8
65.03919	1.4
67.05498	1.6
69.03434	2.1
69.07060	2.7
71.05003	0.7
71.57009	0.9
73.02918	0.7
75.24416	0.5
78.04671	0.8
79.05489	12.8
81.00307	0.6
81.03424	1.7
81.07040	3.1
83.04963	0.9
85.02894	4.8
87.00837	1.4
89.73839	0.6
91.05474	14.6
93.07037	65.7
95.04960	5.3
95.08609	2.6
97.02875	3.4
99.04465	0.9
105.01863	2.2
105.07012	5.4
106.04171	0.6
107.04980	0.9
107.08589	87.2
108.08929	1.8
109.02899	1.2
109.06519	1.8
109.10173	1.9
109.35087	0.6
111.04375	0.6
116.98618	0.6
117.07018	1.0
119.06071	0.8
119.08600	2.8
121.06549	0.7
121.10110	1.3
123.04428	1.0
123.11721	0.7
127.03905	2.7
131.04935	1.1
131.08546	0.8
133.06474	0.6
133.10106	2.1
135.11682	100.0
136.12018	2.4
137.09622	1.0
138.16876	0.6
145.04951	3.0
145.10114	1.1
146.06882	0.7
147.04448	1.1
147.11646	1.4
152.14302	0.7
159.02951	0.8
159.11703	1.1
167.07033	10.5
168.07399	5.3
173.05997	0.6
174.06361	0.8
177.05501	0.8
181.04961	3.3
182.05270	1.6
192.07356	0.7
209.07962	1.0
231.04968	1.7
249.06097	0.7
258.22974	0.9
301.21609	1.3
388.14444	1.8
418.15616	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	418.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01868	6.8
55.05501	1.6
56.72338	0.9
57.03432	5.2
61.02922	5.1
64.46489	0.9
67.05499	1.8
68.99783	1.3
69.03073	1.7
69.03433	28.5
69.07050	1.3
70.06587	1.5
71.05003	5.2
72.08139	1.2
73.02921	5.8
79.05495	3.4
81.03421	21.1
81.07043	4.1
85.02905	100.0
85.06578	0.9
86.09705	1.7
87.00829	33.8
91.03946	1.5
91.05485	1.6
92.79114	0.8
93.07041	4.1
93.76148	1.1
95.04976	1.5
95.08601	5.2
97.02896	23.0
99.04450	12.2
99.08023	0.8
101.02354	0.9
103.05453	1.8
105.01866	66.1
105.07035	13.5
107.08604	4.2
108.04475	3.8
109.02871	25.7
109.10143	1.9
111.04472	1.1
111.93990	0.8
115.03928	1.8
117.01846	2.5
119.08576	2.1
120.05730	1.4
121.10172	1.7
123.11679	1.7
126.05517	2.0
127.03916	65.4
128.04286	1.2
129.01854	2.4
133.10110	1.3
135.08054	69.7
135.11690	5.9
136.08401	1.5
145.04962	28.5
147.02885	2.6
149.09615	2.1
151.11172	1.3
159.02898	15.1
163.03902	1.2
165.09190	1.3
167.07079	4.8
168.07431	1.4
169.12253	1.3
170.12659	1.3
171.02946	1.3
173.06068	1.1
173.09694	1.3
177.09106	9.2
179.06802	0.9
181.05014	1.7
182.05302	1.0
189.03957	5.5
195.10138	1.7
201.09183	1.8
213.03940	3.1
219.10197	4.2
230.06601	1.6
231.04982	22.9
234.76935	1.2
243.10149	5.5
248.07712	2.9
249.06050	7.5
252.09399	2.9
261.11197	7.6
266.08850	1.6
273.63263	1.0
301.21750	2.6
318.21558	1.3
347.11197	4.1
365.12451	1.4
418.16434	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	418.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80843	4.6
53.03943	13.7
55.01866	6.9
57.03424	11.3
59.79405	4.6
61.02928	7.1
67.05535	6.5
68.63811	4.5
69.03429	43.5
69.79184	29.6
71.04980	5.7
73.02914	13.0
77.25619	4.2
79.05475	6.3
81.03427	32.9
81.07071	4.9
82.33315	4.5
83.01315	5.1
83.05013	5.3
85.02914	93.9
87.00839	38.0
91.03943	5.5
91.05493	8.6
93.07040	7.3
95.08607	15.6
97.02894	100.0
98.20834	8.8
99.04493	23.4
103.05453	5.8
105.01870	32.3
105.07027	6.5
107.08597	6.4
109.02891	24.5
115.03942	7.8
117.01803	5.1
119.08573	7.9
121.02843	31.7
127.03922	86.4
129.01854	5.5
133.10011	6.2
137.05951	8.1
145.04965	58.9
147.04402	8.7
147.59448	5.2
153.05486	41.0
159.02917	13.8
164.52617	4.9
167.07057	25.6
168.07393	18.7
181.04959	9.6
190.43755	5.0
203.14423	7.1
231.04987	11.0
234.08572	5.2
247.05597	4.7
287.05560	71.0
301.21750	7.9
343.31784	5.2
388.14951	5.8
418.15585	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	417.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01853	1.1
55.05510	7.1
57.03434	1.5
58.06582	1.6
59.04989	0.8
61.88193	0.7
65.03931	2.7
67.05161	1.2
67.05499	10.7
69.03421	4.2
69.07072	4.6
69.47120	6.7
71.04996	5.2
73.02930	1.2
78.04704	3.1
79.05479	7.5
81.03417	1.9
81.07060	8.3
82.31517	0.8
82.89606	0.8
83.04984	8.7
83.08606	2.5
85.02904	5.5
85.06535	1.8
91.05472	9.4
93.03405	1.1
93.07052	7.2
95.04974	6.2
95.08605	12.6
97.02890	3.3
97.06526	2.9
97.10174	1.5
99.04453	4.4
103.05471	3.0
105.07038	10.3
106.04140	2.2
107.04947	6.6
107.08598	8.1
109.02892	1.0
109.06487	2.0
109.10156	10.2
109.65062	0.9
111.04448	6.3
111.08076	1.7
115.05455	3.8
115.08685	1.2
117.07020	7.4
118.04147	1.2
119.04961	1.6
119.08578	37.9
121.06505	2.6
121.10146	7.1
123.04449	5.4
123.08083	2.3
123.11725	3.2
124.05208	4.5
125.05978	2.2
127.03929	3.4
129.07031	1.1
131.04926	2.0
131.08537	4.5
133.06516	2.6
133.10138	8.5
134.09663	4.8
135.08102	2.0
135.11711	3.9
137.05972	2.4
137.09584	1.7
139.07602	1.2
143.08583	4.3
145.06467	8.6
145.10120	15.3
147.04454	2.6
147.08095	1.5
147.11681	8.5
148.05243	1.7
148.12016	1.0
149.05948	0.9
149.13313	2.1
151.03905	2.5
151.07536	1.8
151.11198	1.2
152.04666	1.7
153.05446	1.8
155.06044	2.0
155.08495	1.1
156.09367	1.2
157.10172	4.7
158.10916	1.1
159.11690	14.1
161.13257	4.4
163.07529	4.1
163.11154	1.2
163.14799	1.2
165.05324	0.8
167.07036	100.0
168.07355	5.5
169.10162	1.1
171.06557	1.7
171.11710	7.2
173.05988	14.5
173.09615	1.0
173.13219	5.5
174.06306	1.1
175.07611	1.3
175.14885	1.4
177.05489	1.3
177.09154	0.9
181.04959	33.5
182.05325	1.6
183.11703	1.3
185.13281	5.5
186.13686	0.8
187.11165	1.4
187.14847	5.9
189.12852	1.1
191.07010	9.6
193.08527	1.4
195.06528	1.4
197.13216	1.9
199.14848	4.9
201.12856	1.3
201.16418	5.9
205.08684	2.3
209.08182	1.7
209.13197	1.1
211.14873	1.1
213.16327	2.0
231.13783	1.8
233.08057	6.9
235.09715	4.1
239.17944	1.7
241.19559	9.1
245.15448	1.6
255.21136	4.6
257.19199	0.9
265.19492	1.4
283.20642	4.4
285.18445	1.2
299.16968	0.8
299.20142	2.9
301.21585	11.7
304.16611	1.2
317.21109	4.3
387.14401	13.6
388.14926	1.6
399.14169	1.5
417.15445	32.6
417.26273	4.0
418.15781	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	417.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01872	2.1
55.05512	5.7
57.03432	1.9
57.07072	1.9
65.03922	4.2
67.05508	22.6
68.99736	0.9
69.03115	1.1
69.03437	10.3
69.07065	8.2
70.06511	0.8
70.77489	1.6
70.77862	1.8
71.04977	1.6
78.04723	2.1
79.05497	10.3
81.03432	4.0
81.07058	14.1
83.04987	5.6
83.08621	3.5
85.02907	11.1
85.06538	1.9
87.00834	1.3
87.04470	1.4
91.05490	8.4
93.07049	18.4
94.65427	0.8
95.04972	30.2
95.08616	20.9
97.02898	40.5
97.06524	3.6
97.10174	3.0
99.04495	1.3
99.08102	1.4
100.11279	1.5
103.05472	3.4
105.01863	3.2
105.07035	12.4
107.04960	7.7
107.08595	21.6
109.02886	3.0
109.06519	2.7
109.10153	10.9
110.03674	1.1
111.04454	3.8
111.08064	2.1
113.05994	1.0
115.03941	6.3
115.05463	3.2
117.07024	8.4
118.33949	0.8
119.08574	23.0
121.06516	2.0
121.10155	10.0
123.04417	7.4
123.08070	4.1
123.11724	4.3
124.05212	3.0
125.06001	1.6
125.09618	1.4
127.03897	5.2
128.06238	1.4
129.06998	1.6
131.04933	2.3
131.08556	5.4
133.02933	1.0
133.06537	1.1
133.10135	15.9
135.08041	2.3
135.11694	14.4
137.06018	2.0
137.09702	2.1
139.07581	1.1
142.07758	1.0
143.08571	3.0
144.09352	1.2
145.04884	1.9
145.06516	8.8
145.10127	14.5
147.08136	1.7
147.11685	9.1
147.56364	0.9
148.05214	1.0
149.09610	1.6
149.13254	5.0
151.03836	1.0
151.11186	1.9
152.04706	1.9
155.06049	1.2
155.08591	2.4
156.09425	1.1
157.10156	7.8
158.10927	1.5
159.02893	1.5
159.08044	1.7
159.11700	15.7
161.06015	1.3
161.09645	2.6
161.13275	10.4
163.07570	2.4
163.11176	1.8
163.14818	3.5
165.05341	0.9
167.07045	100.0
168.07385	5.5
169.10159	3.6
170.10858	1.7
171.06520	2.3
171.11711	6.4
173.05991	13.3
173.09673	2.3
173.13245	12.1
175.11250	1.4
175.14787	5.8
177.05525	1.4
177.12703	1.1
177.16415	1.1
181.04961	33.8
181.10185	1.3
182.05350	1.6
183.11694	3.9
185.09657	1.2
185.13234	5.7
187.11205	2.0
187.14841	8.9
189.09081	0.9
189.12740	1.5
189.16425	4.4
191.07019	5.7
191.17934	0.9
195.11687	1.4
196.12428	1.1
197.13293	3.0
199.11230	1.7
199.14850	4.3
201.05472	1.7
201.12759	2.0
201.16428	6.0
203.14378	1.2
203.17932	2.0
205.08636	3.6
205.12238	1.0
205.15883	1.1
209.08195	0.9
209.13245	1.7
211.14835	3.7
213.16441	2.9
215.14253	1.6
215.18001	2.4
221.08055	1.1
223.14839	1.9
225.16472	2.9
227.09184	3.4
227.14403	1.0
227.17982	2.5
229.15862	1.6
229.19469	2.5
231.04924	1.5
233.08144	6.2
235.09683	3.6
237.16524	1.1
239.17963	2.0
241.19560	3.0
243.17470	1.0
243.21092	2.3
253.19458	1.0
255.21132	2.9
257.19101	2.8
257.22675	20.3
265.19437	1.3
267.21036	6.1
281.19083	1.4
283.20511	2.9
285.22116	8.6
299.20139	2.6
301.21628	2.0
307.05884	1.0
317.20984	5.5
327.23383	2.1
335.23587	0.9
353.24634	1.0
363.23154	2.1
381.13974	1.0
381.24268	3.4
387.14383	12.0
388.14996	1.0
389.26999	1.5
399.14456	1.8
399.25284	6.7
417.15475	37.3
417.26392	23.1
417.31284	1.5
418.16028	5.0
418.26709	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	417.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
54.08328	0.7
55.01863	2.4
55.05287	0.8
55.05515	6.7
57.03434	1.2
57.07068	2.9
61.02906	1.1
65.03948	5.1
67.05173	1.5
67.05508	20.0
67.31529	0.7
69.03144	0.8
69.03435	10.3
69.07072	6.2
71.00729	1.8
71.04981	1.4
73.02889	1.2
78.04697	2.6
79.05494	11.5
81.03416	4.4
81.07055	10.3
82.04202	1.5
83.04980	3.1
83.08607	3.5
85.02902	15.9
85.06532	0.8
87.00825	4.4
87.04508	0.8
91.05473	8.0
93.07044	19.1
95.04974	23.5
95.08613	16.3
97.02897	32.0
97.06531	3.2
97.10150	2.0
99.04465	2.7
99.08105	1.0
100.11250	1.6
103.05467	3.2
105.01859	5.2
105.07029	9.8
106.04185	1.5
107.04951	6.3
107.08601	21.2
109.02864	3.7
109.06542	2.2
109.10168	9.4
111.04433	3.7
111.08074	1.9
115.03936	5.1
115.05463	3.5
117.07015	7.1
119.05031	1.1
119.08585	17.6
121.06498	1.5
121.10133	8.3
123.04433	9.2
123.08084	2.3
123.11696	4.3
124.05190	3.1
125.05983	3.5
125.09618	1.5
127.03934	7.5
129.06998	1.7
131.04910	2.8
131.08589	4.7
133.02846	0.9
133.06541	1.0
133.10147	11.6
135.04388	1.1
135.08011	0.9
135.11707	14.6
137.05971	1.5
137.09633	1.7
137.13248	1.1
138.03087	1.3
139.07495	1.0
141.06972	1.2
142.07806	1.4
143.08566	2.2
145.04965	3.3
145.06502	7.8
145.10124	10.0
146.10641	0.8
147.04414	1.4
147.08083	1.9
147.11700	8.4
149.06030	1.0
149.09666	1.0
149.13249	3.2
151.03973	1.1
151.11230	1.3
152.04688	2.5
155.06033	2.3
155.08574	2.1
156.09337	1.4
156.13733	0.9
157.10173	6.9
158.10823	1.1
159.02885	2.0
159.11702	13.7
161.09627	1.7
161.13300	5.4
163.07559	2.1
163.11180	1.6
163.14810	2.7
167.07048	100.0
168.07390	4.7
169.10109	3.2
170.10863	1.1
171.06461	2.2
171.11694	6.1
173.05991	14.1
173.09615	1.5
173.13310	7.9
174.06311	1.0
175.11234	1.2
175.14836	3.7
177.12685	1.1
177.16319	1.1
181.04962	37.4
181.10170	1.0
181.12291	0.8
182.05353	2.4
182.15315	1.2
183.11705	3.5
185.13246	4.1
187.11131	1.0
187.14804	6.0
189.12781	1.9
189.16339	4.7
191.07057	5.9
195.06500	1.4
195.11688	1.1
197.13254	5.2
199.11084	1.0
199.14838	3.2
201.05522	1.0
201.12709	1.7
201.16386	5.8
203.17947	2.4
205.08618	3.6
207.11823	1.2
209.08261	1.3
209.13203	1.1
211.14807	2.5
213.16386	2.1
215.10564	1.1
215.14301	1.3
215.17914	2.0
219.10152	1.2
221.13205	1.3
225.16385	1.9
227.09187	3.0
227.17841	1.5
229.15892	1.3
229.19595	1.6
231.05147	1.7
233.08075	6.9
235.09625	4.3
237.16364	1.2
239.17920	1.4
241.19562	2.6
243.17580	1.2
243.20961	1.8
251.18007	1.3
253.19659	0.9
255.21188	2.2
257.04459	1.0
257.19040	3.9
257.22678	17.8
265.19547	1.7
267.20972	4.2
271.20740	1.4
281.18796	1.1
283.20590	3.5
285.22116	10.0
299.20050	2.3
299.23746	0.8
301.21695	1.3
309.22012	1.0
317.21158	3.2
327.23141	2.6
353.24814	0.9
363.23218	1.3
381.13113	0.8
381.24200	2.9
387.14368	15.3
388.14899	1.3
389.27051	1.6
399.14578	1.2
399.25284	4.6
417.15454	39.8
417.26450	21.6
417.31342	0.9
417.82748	1.3
418.15921	5.3
418.26685	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38852	8.5
54.98375	9.3
55.05519	67.4
55.40625	9.5
64.48694	10.6
67.05494	39.3
69.03429	16.8
69.07067	29.7
69.94845	20.4
69.95235	29.7
79.05495	24.3
81.07050	41.3
82.53688	9.1
83.04995	94.2
85.06570	9.9
91.05460	23.6
93.07044	34.0
95.04958	36.2
95.08614	34.6
97.06530	12.0
101.05989	10.9
105.07018	61.0
107.08615	53.3
109.06536	25.4
109.10171	56.9
111.04500	20.0
111.08026	11.3
117.07046	25.2
119.08576	100.0
120.08904	21.6
121.06476	10.2
121.10146	34.5
123.08092	19.2
123.11736	13.9
131.08568	16.9
133.10121	60.9
135.08052	48.7
135.11703	18.4
137.09616	18.3
143.08574	19.6
143.88542	10.5
145.10123	34.8
147.08125	10.3
147.11685	31.7
155.08527	20.9
157.10121	30.9
159.11659	44.9
161.09578	13.7
161.13240	20.3
163.14824	13.0
167.07080	12.9
171.03668	10.3
171.08095	9.5
171.11644	22.4
173.13281	28.0
175.11230	11.0
181.10222	13.0
183.11775	15.9
185.13278	19.2
187.11282	11.4
191.10648	12.2
195.11761	14.1
197.13318	19.1
203.14191	12.5
205.15923	10.8
211.14944	13.0
213.16386	10.0
229.12401	12.4
237.73802	10.5
239.18034	11.4
241.15857	11.1
247.29805	11.9
255.17532	14.0
257.18942	11.0
271.20648	13.9
299.20178	53.4
300.20276	11.6
315.19684	20.4
317.21036	56.1
417.27133	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	417.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20141	3.9
55.05516	48.0
56.96546	4.2
57.07076	6.8
65.03937	3.8
67.05500	35.3
69.07066	11.0
71.57618	7.8
79.05489	15.3
81.07053	40.8
83.04975	46.8
83.08611	7.2
91.05457	13.1
93.07037	36.9
94.20551	3.5
95.04979	26.0
95.08604	91.6
97.06483	4.7
99.04448	14.7
105.07023	31.5
106.93872	3.5
107.04962	4.3
107.08595	48.0
109.06559	5.9
109.10155	45.3
111.04420	7.2
112.79484	3.5
117.07021	9.5
119.08585	45.3
121.06522	5.2
121.10130	38.0
123.08100	5.7
123.11710	14.6
125.05995	11.8
130.16373	3.8
131.08586	13.7
133.10123	38.1
135.08063	17.2
135.11679	18.0
137.05994	5.7
139.07523	5.2
143.08609	11.8
145.10135	23.6
147.08043	5.6
147.11673	14.7
149.13246	6.3
151.11136	5.3
157.10106	11.7
159.11714	26.0
161.09624	11.0
161.13268	11.5
163.14777	5.9
169.10115	7.5
170.10832	5.2
171.11723	13.8
173.13274	16.5
175.11232	4.7
175.14746	5.8
179.10608	6.7
183.11786	6.4
185.13297	7.7
187.11258	8.6
187.14801	9.6
189.12897	7.2
193.88498	4.3
197.13257	9.9
199.14795	9.2
201.16339	5.6
203.14423	5.5
203.17990	13.4
205.12250	10.1
209.13477	5.2
213.12688	8.0
219.13858	3.9
231.13818	7.4
239.18016	7.3
253.19475	4.9
255.21106	10.0
257.18900	5.2
271.20486	8.0
283.20438	8.9
299.20135	25.5
301.21585	100.0
317.21091	11.7
417.26575	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	417.2635
Annotation	vibsanin B
Peak:m/z	Relative Intensity
55.05513	62.4
67.05499	45.0
69.07052	17.5
70.63754	22.9
71.03323	6.2
73.12997	7.1
79.00393	6.3
79.05474	25.8
81.07059	40.4
83.04975	91.2
83.08615	7.1
85.06525	8.9
91.05463	25.7
93.07038	35.9
94.30730	5.9
94.77414	5.7
95.04964	7.2
95.08607	48.0
97.06538	11.0
103.27547	5.8
105.07020	41.7
107.04964	14.5
107.08591	53.5
109.10145	59.4
111.04430	26.4
111.08086	12.6
119.08579	69.8
121.06532	10.4
121.10130	32.5
123.08089	7.6
123.11688	12.4
131.08553	16.3
131.42358	6.3
133.10132	51.9
135.08044	16.8
135.11682	10.5
137.05945	8.8
137.09625	20.1
143.08521	9.5
145.10112	29.2
147.11676	32.0
149.13278	11.4
151.11215	13.9
155.08505	9.8
157.10129	14.0
159.07997	7.4
159.11674	28.7
161.13266	16.3
163.11200	6.0
163.14790	18.1
167.06996	41.9
169.10085	10.3
171.11691	16.4
173.09665	14.9
173.13269	11.7
175.11189	7.8
179.10780	10.6
181.04999	12.5
183.11726	13.1
185.09431	9.2
185.13174	6.9
191.10684	7.1
197.13210	8.7
201.12816	9.4
213.16434	14.5
229.14252	9.4
235.09554	6.5
237.16302	6.3
253.19450	13.3
257.19052	10.5
271.20715	8.2
275.20062	15.3
278.07791	6.2
281.19064	16.0
299.20074	83.7
317.21097	100.0
387.14478	11.9
417.15356	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	417.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.7
55.01838	2.9
55.05509	30.0
55.66106	2.7
56.75551	2.6
57.07045	3.7
61.60305	2.8
65.03953	4.6
66.46656	2.8
67.05502	30.1
69.07082	14.3
70.58813	7.4
73.06551	2.8
79.05501	15.2
81.07052	19.9
83.04986	36.3
83.08618	3.4
85.06559	4.8
91.05479	30.2
93.07040	19.8
95.04983	25.4
95.08609	26.4
97.06533	6.1
99.08102	47.8
101.06029	13.2
105.07029	37.2
107.04944	4.1
107.08600	100.0
109.06496	9.8
109.10143	26.8
111.04436	9.1
111.08067	4.1
117.07020	8.1
119.07792	4.4
119.08587	55.7
121.06471	3.9
121.10147	25.7
123.08084	5.5
123.11699	6.1
125.05965	5.3
125.09660	5.3
126.14707	2.6
129.06918	3.9
130.07811	3.2
131.08575	9.5
132.05679	2.6
133.10106	31.5
135.08054	22.9
135.11684	7.7
137.05971	10.9
137.09602	7.8
139.07553	2.6
143.08545	4.3
145.10078	12.7
147.07990	4.8
147.11699	28.3
149.09593	6.1
151.11142	4.1
155.08578	2.8
157.10120	7.7
159.11671	10.4
161.09576	4.6
161.13242	7.3
163.11154	3.6
163.14839	4.2
165.09103	5.0
165.12726	6.2
167.07010	17.0
169.10139	4.9
171.11685	8.5
173.06030	4.9
173.13261	9.6
175.11177	10.8
175.14821	5.8
177.12740	2.9
177.36008	2.8
181.04964	6.7
183.11667	5.1
185.13136	4.5
187.11113	4.2
187.14761	9.3
193.12207	10.2
197.13197	6.3
199.14717	3.0
201.12828	3.3
201.16258	3.2
203.14330	5.2
205.12297	3.0
205.15860	6.2
209.11717	4.8
209.13518	3.4
211.13167	6.0
229.12204	4.5
233.08151	3.7
258.69031	2.8
271.20612	5.9
299.20093	15.3
317.21063	27.0
417.15173	6.8
417.21265	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	417.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	4.2
55.05510	38.3
56.83267	2.4
59.65347	2.4
65.03960	3.1
67.05504	20.1
67.54770	2.7
69.03427	5.5
69.07058	10.9
69.54092	23.2
78.04697	2.7
79.03194	2.5
79.05484	11.9
81.07063	18.0
83.04987	57.3
83.08618	3.1
85.06554	4.5
91.05492	14.2
93.07037	19.8
95.04963	7.0
95.08607	22.9
97.02890	6.7
97.06532	6.5
97.10126	5.1
98.21512	2.9
101.06030	3.1
103.05492	3.2
105.07039	22.5
107.04933	8.8
107.08598	27.0
109.06522	5.0
109.10172	21.9
111.04424	8.9
111.08062	5.1
117.06997	7.2
119.04910	2.8
119.08583	36.9
121.06493	2.8
121.10123	12.2
123.04421	5.4
123.08109	6.7
123.11701	6.9
124.05223	3.4
125.06011	3.4
125.09624	5.5
129.07024	3.9
131.08560	9.0
133.10114	22.0
135.08093	5.8
135.11716	9.9
137.06001	4.2
137.09604	9.6
137.13179	2.6
139.07553	2.8
139.44949	2.9
140.41409	3.0
143.08531	4.8
145.06491	9.3
145.10129	10.7
147.08063	3.2
147.11690	24.1
149.09631	4.7
151.11176	9.8
152.04825	3.1
154.69107	2.7
156.09373	2.8
157.10168	8.5
159.11702	10.0
161.09599	3.4
161.13271	7.6
163.14897	13.1
165.09166	4.4
167.07045	100.0
168.07495	3.2
169.10132	3.3
171.11725	6.6
173.06036	12.5
173.13327	6.6
175.11189	3.1
181.04953	33.2
183.11703	7.2
185.13322	4.4
187.11197	6.5
189.16508	3.6
191.10683	4.0
197.13205	6.5
199.14836	3.5
199.28639	2.6
203.14287	2.8
205.12138	4.5
229.19382	3.8
233.08075	9.0
243.13771	4.7
257.19119	5.9
271.20477	4.2
275.20050	7.2
281.19012	6.4
289.21600	4.8
299.20059	28.2
317.21094	43.8
318.21371	2.8
327.72986	2.8
387.14255	13.2
388.14813	3.1
417.15475	30.6
418.15656	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	417.2633
Annotation	vibsanin B
Peak:m/z	Relative Intensity
53.03942	4.6
54.78124	2.5
55.05259	4.4
55.05511	66.6
57.03433	4.3
57.07058	2.8
60.83562	2.8
63.36047	2.8
65.03940	3.1
66.21324	2.7
67.05500	47.4
69.07071	16.2
70.21210	11.6
70.21580	5.6
71.05009	3.4
74.86980	2.7
79.05507	23.3
81.07055	58.4
82.90422	2.5
83.04980	62.4
83.08610	7.1
83.94775	2.6
85.06550	7.1
91.05473	24.5
93.07048	42.0
95.04948	7.0
95.08601	63.7
97.02922	6.0
97.06544	14.1
97.10160	4.5
98.98482	26.2
101.06005	3.4
105.07023	45.3
107.04955	5.3
107.08588	51.5
109.06513	5.9
109.10150	52.7
111.04434	31.8
111.08057	17.4
113.09682	2.6
117.07018	10.5
119.08583	79.2
121.06499	8.8
121.10137	26.9
123.08054	11.4
123.11690	20.0
125.05993	5.6
131.08578	13.6
133.10132	51.3
135.08047	12.2
135.11676	19.0
137.05914	3.0
137.09579	21.2
137.13242	5.4
139.07527	7.5
139.11189	3.3
143.08566	11.1
145.10118	27.0
147.08022	5.5
147.11688	39.4
149.09590	6.0
149.13243	10.1
151.11177	12.1
151.14786	5.3
153.09100	4.0
155.01006	28.4
155.08557	5.2
157.10159	17.5
159.08072	3.2
159.11710	27.6
161.09584	4.3
161.13266	17.0
163.11142	4.4
163.14836	18.5
169.08710	3.2
169.10138	8.9
171.11658	14.1
173.09631	5.2
173.13293	12.7
175.11159	4.5
175.14804	9.1
177.09200	3.0
177.12703	3.7
179.10571	3.7
183.11716	14.5
184.12364	3.0
185.09636	5.9
185.13269	11.4
187.11212	6.4
187.14839	12.3
189.16299	5.0
191.10669	3.6
195.56926	2.8
197.13231	14.2
199.11189	4.1
199.14810	9.3
201.12657	3.3
201.16418	8.3
205.12216	5.5
205.15829	4.1
211.14819	4.1
213.16310	6.1
219.13855	5.7
225.12752	5.0
226.47990	3.2
227.14236	4.9
229.12216	6.5
231.13832	4.1
237.16408	3.9
239.14290	3.7
239.17984	10.4
243.13814	6.0
245.15488	4.6
245.22603	9.7
253.19501	10.2
257.15369	3.5
257.18985	9.4
263.23730	20.9
271.20496	10.0
275.20105	7.3
281.18906	8.6
299.20059	71.2
317.21100	100.0
332.46490	2.8
417.26520	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	417.2637
Annotation	vibsanin B
Peak:m/z	Relative Intensity
51.26245	3.6
53.03959	4.0
54.04865	3.8
55.05299	3.5
55.05515	38.7
65.26572	3.7
67.05506	33.9
69.07073	15.0
70.08762	21.6
72.18314	4.2
72.43390	4.5
79.05486	19.0
81.07059	26.6
83.04176	4.1
83.04988	52.0
83.08614	9.7
84.51953	4.2
85.06546	8.4
91.05495	20.4
93.06660	3.1
93.07070	36.0
95.08611	41.3
97.02902	4.0
97.06551	7.8
105.07040	31.1
107.08602	41.2
109.06528	7.6
109.10174	36.7
111.04417	21.0
111.08077	12.2
117.07010	5.7
119.08591	64.0
121.06487	9.5
121.10133	20.3
123.08064	10.9
123.11729	8.2
129.06995	4.3
131.08574	17.1
133.10139	33.3
135.08067	13.0
135.11678	10.5
137.09647	20.3
139.07532	6.6
143.08539	8.6
145.10107	23.1
147.11682	34.9
149.13310	5.3
151.11180	15.8
153.09099	7.0
155.08618	6.1
157.10103	12.8
159.11717	21.1
161.13219	9.2
163.11043	4.4
163.14830	11.8
165.12749	5.2
167.10696	3.9
171.11707	13.1
173.13313	10.5
175.14954	7.7
179.10739	5.2
183.11758	6.1
185.13245	5.0
187.11182	12.4
187.14726	6.6
189.16481	9.0
195.11748	5.3
197.13318	5.3
199.14816	9.2
203.10565	5.2
205.12244	6.1
205.15913	5.7
211.14749	8.2
225.16193	5.0
229.12315	5.6
239.17943	6.2
243.13863	9.7
251.99295	4.6
257.19070	8.4
271.20624	11.2
275.20102	9.1
281.19055	13.9
299.20044	58.5
317.21149	100.0
318.21414	8.5
417.26138	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	417.2632
Annotation	vibsanin B
Peak:m/z	Relative Intensity
52.40295	4.2
53.03938	4.5
55.05510	83.4
67.05505	33.4
69.03454	5.1
69.07052	12.9
69.58867	33.1
69.59217	7.1
79.05472	18.0
81.07059	32.2
83.04981	88.2
83.08633	8.9
85.06546	4.8
86.41794	3.7
89.42697	4.0
91.05469	15.8
93.07047	35.7
95.04973	5.7
95.08604	43.3
97.02879	6.2
97.06541	12.2
105.07035	44.4
107.08575	45.0
109.06559	8.0
109.10148	48.4
111.04440	19.2
111.08070	12.2
114.31789	4.2
115.05404	4.9
117.06995	12.1
119.08584	76.6
120.29852	4.3
121.06509	4.7
121.10110	29.6
123.08038	9.6
123.11742	6.7
124.61104	4.0
125.05922	5.9
131.08571	13.9
133.10127	42.8
135.08060	13.2
135.11726	11.3
137.09608	14.3
142.07744	5.0
143.08528	10.2
145.10127	27.6
147.08064	7.0
147.11703	34.2
149.13258	7.5
151.11172	8.8
157.10146	11.8
159.11646	24.0
161.09575	7.4
161.13246	15.3
163.11107	5.3
163.14775	10.0
165.09071	7.3
169.10030	6.6
171.11639	11.7
173.13271	9.1
175.14838	7.7
179.10670	5.4
183.11684	14.1
185.13329	8.4
187.11214	5.8
187.14810	11.6
189.16415	7.1
191.10831	5.6
197.13300	13.2
199.14714	5.1
201.12738	5.4
201.16348	5.0
211.14705	4.4
213.12611	4.8
213.16415	5.2
215.14473	5.7
219.13921	8.6
229.12245	8.1
230.55746	4.6
239.17892	11.5
243.13704	10.0
253.19557	9.5
257.19144	8.2
271.20584	8.1
275.20059	10.0
281.19104	8.6
299.20016	61.4
317.21112	100.0
417.26218	13.5
425.25552	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	417.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05512	54.6
67.05511	3.5
67.73315	0.6
68.67957	0.5
69.03464	0.6
69.07072	2.8
69.32543	0.6
71.60193	0.7
79.05495	2.7
81.07056	5.4
83.04984	100.0
83.08646	1.0
84.05309	0.9
88.04033	0.6
91.05478	5.2
93.07040	5.8
95.04959	0.8
95.08608	6.4
97.06543	0.9
98.97578	0.8
99.08104	2.4
105.07034	9.5
107.04983	0.9
107.08606	9.3
109.06545	1.7
109.10172	3.1
111.04462	2.0
111.08100	0.9
114.64783	0.7
116.98654	0.8
117.07016	1.2
118.12079	0.6
119.04962	0.7
119.08576	9.2
121.10143	4.9
123.08063	1.2
123.11720	0.9
125.06033	1.0
125.09631	21.5
131.08588	2.3
133.10129	6.4
134.99675	0.8
135.08061	1.4
135.11691	0.9
137.06003	0.9
137.09648	0.9
141.07066	0.6
142.07790	1.4
143.08575	1.3
145.10152	2.1
147.11691	9.6
149.09631	0.9
149.13293	1.9
151.07594	1.5
151.11174	0.7
155.08583	0.7
156.09309	0.6
157.10114	2.2
159.11720	1.8
160.08884	0.6
161.13293	1.5
165.12814	1.5
167.07082	1.2
169.10141	0.7
171.11708	1.9
173.09764	1.0
173.13301	1.2
175.11177	4.7
183.11694	1.2
185.13228	1.1
187.11197	0.6
187.14845	1.5
193.12241	5.3
199.14926	1.1
201.16470	1.0
211.13182	1.0
215.14314	0.9
229.19572	0.7
233.15337	0.7
239.18037	0.9
240.84103	0.7
243.13814	0.9
253.19508	0.7
271.20697	0.8
273.18683	0.6
293.17542	2.5
299.20145	3.9
317.20969	3.3
389.36847	0.7
417.19711	2.1
417.26443	2.5
435.20480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	22.8
67.05508	12.0
69.03445	2.3
69.07069	6.4
69.55412	16.8
69.55813	3.3
79.05472	6.7
81.07058	15.0
83.04980	100.0
91.05485	8.0
93.07056	11.6
95.08597	16.2
98.21542	2.7
98.98483	5.5
101.06042	2.3
105.07034	15.5
107.08596	14.5
109.10145	17.0
111.04419	11.0
111.08065	7.9
115.29285	2.0
117.07008	2.6
119.08575	30.2
121.10162	11.0
123.08007	3.5
123.11756	4.9
131.08562	6.6
133.10110	17.9
135.08049	4.2
135.11662	6.3
137.09602	7.1
143.08577	4.0
145.10120	9.9
147.11674	11.1
149.13176	2.7
151.11180	4.5
155.01074	3.7
157.10126	6.1
159.11705	8.1
161.09521	2.7
161.13248	4.6
163.14851	6.2
169.10068	3.7
171.11722	2.7
173.13286	5.5
183.11639	5.1
184.96016	2.6
185.13327	3.1
187.11185	3.2
187.14830	4.8
191.10664	3.4
197.13275	3.6
199.14825	2.9
205.12184	3.3
205.15857	2.8
225.12740	2.7
229.12154	4.2
239.17964	4.2
243.13861	3.6
253.19582	3.7
257.19003	2.9
275.20145	3.5
281.19028	7.0
299.20090	24.4
317.21109	40.8
318.21393	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	417.2633
Annotation	Vibsanin E
Peak:m/z	Relative Intensity
53.03946	1.3
55.05510	45.3
67.05507	1.8
69.07059	2.2
71.16772	0.8
71.17111	1.2
79.05482	3.0
81.07038	4.1
83.04980	100.0
84.05322	1.6
86.59948	0.5
88.05571	0.6
91.05465	4.4
93.07042	7.4
95.04977	1.2
95.08604	3.9
99.08094	1.6
101.05989	1.2
105.07022	10.9
107.08588	9.8
109.06550	1.8
109.10128	0.7
111.04431	0.7
111.08104	0.7
119.08571	7.7
121.06522	0.6
121.10144	4.8
123.08074	2.4
125.05979	0.8
125.09633	21.2
133.10118	4.4
137.05986	1.9
139.07536	1.0
145.10162	1.6
147.11691	13.3
149.09665	0.9
149.13255	2.9
151.07576	1.2
157.10159	1.1
159.11763	0.7
163.11179	0.7
165.12787	2.8
175.11205	7.3
193.12239	10.5
203.14279	0.7
211.13370	1.6
277.64792	0.6
293.17557	5.0
296.30389	0.7
299.20227	1.0
317.20984	0.9
417.26016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2635
Annotation	Vibsanin E
Peak:m/z	Relative Intensity
54.61331	3.3
55.05510	24.3
62.32092	3.0
67.05509	34.8
67.23389	3.1
69.03444	3.5
69.07075	6.9
71.04880	8.1
71.05234	4.0
79.05473	7.5
81.07064	9.9
83.04980	49.6
88.53271	3.9
91.03860	3.4
91.05478	14.1
93.07053	8.7
95.04971	26.0
95.08605	13.8
97.06550	4.9
105.07014	10.9
107.08588	19.5
109.06493	3.7
109.10152	100.0
110.10454	4.5
115.05450	4.0
119.08570	20.0
121.06535	7.3
121.10154	11.8
123.08089	6.4
123.11699	5.8
131.08582	6.1
133.10124	13.3
135.08044	66.1
135.11745	4.5
136.08415	4.4
137.09634	4.0
143.08575	4.1
145.10129	10.9
147.08043	6.3
147.11697	6.3
149.09644	6.7
157.10167	9.4
159.08055	7.4
159.11699	13.0
160.12527	2.8
161.09630	13.7
161.13243	8.0
169.10141	5.5
171.11734	9.9
172.08737	3.3
173.09625	6.2
173.13286	14.4
175.07487	3.5
175.11224	9.9
183.11702	9.3
185.13237	8.2
187.11208	12.1
187.14879	6.1
189.12793	11.8
191.10628	7.7
195.11720	3.6
197.13284	10.3
199.14868	7.4
201.12744	10.3
203.14302	11.1
211.14659	5.0
215.10692	9.0
215.14325	5.6
229.12225	25.3
229.19604	4.0
237.16396	4.8
239.17984	9.9
243.13737	4.7
253.19630	4.6
257.18945	43.6
271.20599	12.2
281.19064	9.2
299.20056	70.0
357.24298	8.7
399.25253	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	417.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94077	5.0
55.05515	53.7
58.55558	4.7
59.92863	5.3
65.03912	8.0
67.05515	32.3
69.03453	5.2
69.07061	6.2
70.79446	13.5
70.79815	7.1
81.07070	15.3
83.04984	75.6
91.05533	6.5
93.07038	5.7
95.04977	31.4
95.08603	12.0
105.07027	6.6
106.29785	5.2
107.08598	20.6
109.10157	100.0
109.10834	9.3
119.08604	19.0
121.10164	13.7
123.08073	8.9
123.11715	6.0
131.67502	4.6
133.10121	17.2
135.08060	59.5
135.11685	7.7
145.10146	8.7
149.09570	9.3
157.10130	5.9
159.08098	8.0
159.11714	16.7
160.92781	4.7
161.09659	16.9
161.13284	12.2
171.11716	11.4
173.09636	8.7
173.13297	10.1
175.11179	8.6
183.11690	9.5
185.13252	10.2
187.11227	12.1
187.14806	7.4
189.12761	10.6
191.10699	7.5
197.13312	9.3
199.14824	5.6
203.14351	8.8
205.57791	4.9
211.14815	7.5
211.62256	5.0
215.14346	7.2
229.12177	18.1
237.40878	4.9
239.17995	20.5
253.19492	6.3
257.19052	43.6
271.20615	14.3
299.20123	76.1
314.56824	5.9
357.24298	17.2
360.71204	5.1
362.85657	5.3
399.25357	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	417.2636
Annotation	Vibsanin E
Peak:m/z	Relative Intensity
55.05262	4.6
55.05513	66.3
57.07069	3.8
64.50789	3.4
65.03958	3.2
65.72657	3.5
67.05505	20.7
69.03459	2.9
69.07072	8.7
70.23428	12.6
71.04996	4.2
75.26027	3.1
78.93737	3.4
79.05495	9.9
79.48875	2.9
81.03428	4.1
81.07063	17.5
83.04984	100.0
83.08627	4.9
85.06513	3.7
87.87360	3.4
91.05489	15.5
93.07032	16.6
95.04974	17.0
95.08606	29.7
97.06527	7.6
98.21420	3.8
105.07034	30.6
107.08604	28.4
109.06522	10.1
109.10165	27.7
111.08006	4.2
117.07002	7.4
119.08580	39.4
121.06525	7.6
121.10150	26.3
123.08100	6.7
123.11734	7.6
125.09680	3.3
131.08585	15.0
131.60912	3.1
133.10132	28.1
135.08067	8.6
135.11688	12.4
137.09541	3.2
142.07776	5.4
143.08539	10.4
144.23286	3.6
145.10107	22.1
147.08043	4.4
147.11694	12.0
149.05991	4.3
149.09589	10.3
155.08511	3.4
157.10106	18.0
158.11057	4.1
159.11687	20.9
161.09657	6.7
161.13290	11.6
163.11171	3.9
163.14825	3.6
168.09259	4.0
169.10170	6.9
170.10936	4.5
171.11687	13.0
173.09633	7.1
173.13237	22.0
175.11208	8.7
175.14754	6.4
183.11676	9.5
185.13202	8.5
187.14836	9.4
189.16341	4.3
197.13202	8.2
199.14818	11.5
201.12794	7.1
201.16415	3.8
203.14362	7.6
211.14903	5.5
213.16296	6.8
215.14308	6.6
217.15942	5.2
228.83769	4.0
239.18042	3.7
243.21089	7.5
253.19522	7.4
257.19016	6.6
271.20529	21.3
273.18604	3.9
281.19025	7.7
299.20081	24.6
317.21039	9.7
335.64877	3.4
375.18442	3.3
417.26617	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	417.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86246	3.8
53.03941	4.7
55.05509	69.5
57.07056	4.1
60.39069	4.0
64.86526	3.9
66.60088	4.0
67.05504	33.6
69.03437	6.2
69.07066	10.2
79.05518	7.1
81.07065	12.9
83.04984	100.0
83.08613	8.6
91.05486	10.0
91.10384	4.1
93.07021	20.8
95.04961	49.1
95.08612	38.4
98.20715	10.7
105.07011	24.8
107.08573	25.8
109.06489	5.4
109.10154	11.5
111.08102	9.3
119.08575	48.2
121.10121	28.4
130.72757	4.5
131.08588	9.2
133.10161	23.8
135.08061	19.0
135.11690	6.8
143.08583	8.4
145.10101	18.3
147.08070	7.1
147.11682	19.3
155.03529	4.8
155.08565	7.0
157.10147	13.8
159.11687	23.2
161.09549	9.3
161.13271	13.8
169.10158	5.3
170.10864	8.5
171.11652	13.4
173.09686	6.4
173.13240	16.5
175.11165	11.1
175.14835	9.2
183.11661	8.1
185.13251	13.5
187.11209	8.5
187.14804	10.6
189.12779	15.8
197.13193	8.2
199.14810	6.3
201.12764	6.9
203.14322	29.9
204.15004	7.3
215.14305	8.4
215.80577	4.3
229.12299	5.1
229.19484	8.5
229.94229	6.3
229.96349	5.8
239.17957	7.4
253.19528	10.1
257.18958	14.9
271.20663	12.1
281.19012	17.2
299.20035	47.4
300.20212	5.0
317.21176	17.1
335.22305	6.0
344.97214	4.5
417.25922	8.6
438.90472	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	417.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84752	0.8
53.03929	2.8
55.01859	2.3
55.05510	1.5
57.03421	2.0
59.04989	3.9
61.02908	1.7
61.92018	1.0
65.03925	2.1
67.05484	2.4
68.99786	1.0
69.03137	0.9
69.03425	9.5
69.07053	1.0
70.95588	2.5
71.04990	7.7
72.08129	1.3
73.02905	2.9
75.28833	0.8
76.18419	0.8
77.98570	0.8
78.04690	2.4
79.05484	3.8
81.03426	6.8
81.07055	6.7
81.54888	0.8
83.04962	2.5
85.02434	1.3
85.02905	21.5
86.09672	3.2
87.00830	8.2
91.05457	3.4
93.07033	6.7
95.04967	2.3
95.08579	2.4
97.02890	8.8
98.20696	0.8
99.04449	5.2
99.47714	0.8
103.05478	2.0
105.01302	0.8
105.01867	9.1
105.07030	4.8
106.04150	2.0
107.04932	2.5
107.08581	3.6
109.02875	9.6
109.06493	3.3
109.10180	3.9
111.08054	2.5
115.05422	3.6
117.07023	4.6
119.08585	2.0
120.51155	0.8
121.06538	1.0
121.10125	1.9
123.04441	6.5
123.11686	4.5
124.05173	2.9
127.03910	17.9
127.05352	0.9
133.06497	1.0
133.10098	3.5
144.99840	0.9
145.04982	5.7
145.06474	9.7
145.10065	1.1
147.11717	1.1
150.09044	1.2
151.03793	1.6
151.11180	17.5
152.04652	1.8
155.06006	2.2
159.02876	4.9
163.11188	1.0
167.07043	100.0
168.07368	2.9
169.12204	8.4
171.06525	2.1
173.05980	14.5
175.07587	1.2
181.04968	20.0
193.12224	1.5
201.05553	0.9
205.08578	3.7
231.04988	3.8
233.08081	8.6
235.09630	3.4
238.28487	0.9
313.16672	1.1
317.21039	1.2
381.15311	1.0
387.14435	17.6
399.16000	1.0
417.15399	46.7
418.15659	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1754
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	7.7
55.01864	7.5
55.05521	10.6
57.03444	9.5
59.04999	4.6
59.17533	1.9
60.37919	1.8
61.02918	4.6
67.05492	5.3
68.99780	4.1
69.03428	33.3
69.07076	2.2
69.52113	2.8
69.52515	14.1
70.06564	2.0
71.04993	20.9
73.02908	10.0
79.05492	5.2
81.03417	32.7
81.06726	1.6
81.07070	17.4
83.04977	20.9
85.02905	65.4
86.09711	8.6
87.00834	28.7
87.04540	2.6
91.03900	2.5
91.05472	3.8
93.07027	10.6
93.41882	1.9
95.04971	8.2
95.08594	8.1
97.02889	23.5
98.21481	2.6
99.04475	11.3
105.01848	18.7
105.07002	11.4
107.08613	9.8
109.02886	31.7
109.06489	9.6
109.10159	21.5
111.08067	11.7
115.07485	1.8
117.01776	4.3
117.07000	2.7
119.08576	4.4
121.06548	2.2
121.10146	7.2
123.04454	2.5
123.08067	8.7
123.11709	13.4
125.09628	7.9
125.10498	2.2
127.03907	44.6
129.01794	2.7
133.10080	9.8
135.11743	2.1
137.09593	2.0
144.23698	2.0
145.04951	16.9
145.06099	2.3
149.09648	4.2
151.11177	69.7
156.26370	2.2
159.02893	15.4
161.13348	1.9
167.07036	12.6
169.12242	100.0
173.05923	3.3
189.12482	2.7
201.12363	2.7
201.42676	1.7
221.69730	2.6
231.05034	9.1
317.21082	2.7
387.14017	3.3
417.16675	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	417.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64847	1.3
52.88051	1.7
53.03944	9.9
55.01864	11.7
55.05500	3.2
57.03419	5.1
59.05007	11.9
60.96221	1.4
61.02914	6.1
67.05496	7.9
67.35882	1.3
68.99772	4.7
69.03429	45.5
69.07066	2.9
69.57823	11.5
71.04997	10.9
73.02901	10.0
78.04685	1.8
79.05485	7.8
81.03414	31.4
81.07056	25.0
83.04951	3.9
85.02904	100.0
87.00827	41.7
91.03956	2.3
91.05463	6.3
93.07053	14.0
95.04962	5.5
95.08594	7.0
97.02888	37.9
97.06503	2.6
98.75203	1.5
99.04452	16.2
103.03914	2.1
105.01866	37.3
105.07031	9.7
107.04954	3.3
107.08596	14.5
109.02882	25.2
109.06533	13.6
109.10155	20.2
111.04422	2.1
111.08104	7.9
115.03917	2.3
117.01830	5.3
117.07075	2.7
119.08553	4.3
121.06490	4.2
121.10132	3.1
123.04396	4.4
123.08044	2.6
123.11707	19.9
127.02953	2.9
127.03911	59.5
129.01805	4.9
131.08534	3.4
133.10144	14.7
135.08014	4.5
135.11694	2.0
137.06047	2.1
137.09575	4.8
145.04950	25.6
145.06497	3.7
145.10110	3.2
147.02878	4.1
147.11662	2.5
149.09596	2.8
151.03877	1.9
151.11182	40.8
152.04573	1.6
153.09085	2.6
159.02898	17.6
161.09679	2.4
167.07048	42.7
169.12251	9.0
171.08020	2.4
173.06027	5.8
175.11142	5.0
179.10669	1.7
181.04945	13.2
189.03915	4.5
191.06949	3.1
191.10622	2.1
193.12294	7.5
201.09109	1.8
213.03824	2.2
217.12247	2.5
231.05020	10.7
232.62030	1.6
233.08055	2.3
235.13330	1.7
241.12239	1.6
249.06030	2.1
254.87805	1.4
259.13336	2.5
313.16403	9.3
316.86093	1.5
317.21030	2.0
331.17587	3.6
345.37921	1.5
355.17181	3.1
360.54260	1.7
363.14478	1.8
387.14288	4.2
399.16589	10.8
417.15448	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	417.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	16.3
55.01862	9.9
55.05502	10.0
57.03428	13.7
59.04995	10.9
61.02915	9.1
67.05491	11.2
69.03429	55.1
69.07059	7.5
69.41322	25.0
69.41726	8.8
71.04995	49.8
73.02917	12.4
79.05468	12.3
81.03419	31.9
81.07060	33.2
83.04972	10.6
85.02905	100.0
86.09719	4.2
86.33884	3.8
87.00838	43.2
91.03930	4.1
91.05487	9.8
93.07051	35.5
95.04966	13.4
95.08601	12.2
97.02899	38.4
97.06525	10.2
98.20781	7.1
99.04447	17.6
100.68181	3.3
105.01859	35.6
105.07024	18.1
107.04921	5.4
107.08587	16.6
109.02893	36.1
109.06528	15.5
109.10153	25.5
111.04476	3.8
111.08070	10.5
117.01826	5.0
119.08580	7.9
119.45584	3.5
121.06551	3.9
121.10164	7.6
123.04408	6.7
123.11702	32.8
127.03917	84.3
129.01862	6.4
133.10138	18.5
135.08072	6.5
135.11739	3.8
137.09596	5.6
145.04987	31.9
145.10193	3.9
147.02870	4.7
149.09639	9.4
151.11186	85.2
159.02859	26.5
167.07036	47.3
169.12254	63.7
171.02953	4.0
173.06010	10.3
175.11201	4.4
181.04970	11.4
189.04010	6.0
193.12242	7.1
231.05066	12.0
233.08075	5.2
313.16446	5.7
355.17682	3.9
387.14273	5.8
399.16449	10.3
417.15765	16.3
442.67041	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	417.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.7
55.01876	11.9
55.05508	10.8
57.03426	8.2
58.09391	2.4
58.79277	2.1
59.05011	19.3
61.02925	5.5
65.03931	2.5
67.05509	17.1
68.75982	2.5
68.99798	5.6
69.03082	3.3
69.03431	54.8
69.07059	4.2
70.06588	2.4
71.04993	20.2
71.58380	3.2
72.94971	2.1
73.02922	15.1
79.05489	9.4
79.79238	2.2
81.03419	39.2
81.07056	42.2
83.04993	10.9
83.08628	3.7
85.02905	100.0
85.03431	5.0
86.09690	4.2
87.00824	39.8
87.04464	4.7
91.05475	22.6
93.07042	57.8
95.01337	2.3
95.04967	10.0
95.08621	15.1
97.02895	44.3
97.06521	4.6
99.04447	17.7
105.01864	40.0
105.07034	28.0
107.04988	2.4
107.08600	27.6
109.02885	37.5
109.06515	14.5
109.10162	29.2
111.04450	6.6
111.08091	21.8
115.05431	2.4
117.01836	3.8
117.06998	4.2
119.08590	10.5
120.08095	2.4
121.06529	3.7
121.10140	9.3
123.04454	3.9
123.08035	6.1
123.11682	25.5
127.03918	63.0
129.01880	5.0
131.08611	3.3
131.81842	2.2
133.10133	29.7
135.08037	7.4
135.11662	6.3
137.09657	5.4
143.08549	3.5
145.04944	30.3
145.10133	4.2
147.02914	3.4
147.11685	6.5
149.09625	4.0
151.11189	58.6
153.09085	2.4
153.12703	4.3
157.10106	3.1
159.02867	18.8
159.11682	2.5
161.09586	3.3
163.11177	3.0
167.07039	19.9
169.12241	34.2
171.11757	2.5
173.09543	2.4
173.13202	2.1
181.04938	6.7
181.10175	2.7
187.11177	2.7
193.12227	5.6
205.12347	2.8
213.04041	3.7
231.04970	15.7
239.17889	3.9
249.05917	3.0
278.78214	2.8
299.20010	8.1
313.16351	4.5
317.21103	10.3
331.17548	4.4
363.14517	2.8
399.16254	10.8
417.15994	8.5
430.29572	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	417.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05510	1.5
60.71782	0.3
65.03945	0.4
67.05504	0.5
69.03426	0.9
69.07072	0.7
70.41678	0.3
71.05003	1.0
72.08160	2.9
79.05482	0.9
81.03399	0.9
81.07047	1.3
81.79816	0.3
83.04981	1.1
83.08635	0.4
85.02908	2.0
86.09703	2.7
87.00867	0.4
87.04424	0.3
91.05482	2.6
93.07048	1.3
95.04972	0.6
95.08616	1.4
97.02911	1.6
97.06544	0.6
105.07030	1.1
107.04969	0.4
107.08599	1.2
109.02908	0.9
109.10179	1.2
111.08086	0.5
112.37669	0.4
115.05463	0.4
117.07053	0.9
119.08588	1.1
121.02880	1.0
121.10168	0.9
123.04427	1.0
123.08105	0.4
123.11687	0.7
127.03923	1.5
129.18916	0.3
131.08549	0.6
133.10143	1.1
135.08083	0.3
135.11714	0.6
136.61372	0.3
136.64333	0.3
143.11758	0.4
145.05006	0.3
145.06465	0.8
145.10085	0.6
147.04381	0.5
147.11751	0.7
149.02386	1.0
149.09624	0.5
151.11185	0.9
153.05452	0.5
155.06052	0.4
159.11472	1.0
163.11183	0.3
167.07048	9.6
169.12314	0.5
173.06030	1.4
181.04912	2.3
187.07961	0.3
187.10799	0.6
193.08620	0.7
201.05550	0.3
205.08652	0.5
207.32436	0.3
219.13872	0.4
219.17326	0.5
221.05099	0.6
221.08109	0.6
231.17047	1.1
233.08165	1.1
247.13065	0.6
257.04501	1.1
270.86105	0.4
285.11868	0.7
299.20175	0.8
303.13004	0.8
317.21127	1.0
317.49344	0.4
387.14508	1.8
417.17328	100.0
418.17477	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	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03947	0.5
55.01881	0.6
55.05519	1.4
57.03434	0.6
64.21625	0.3
65.03939	1.3
67.05509	1.7
69.03424	0.9
69.07065	0.8
69.42950	1.7
69.43369	0.8
71.04985	0.5
78.04716	2.5
79.05497	2.5
81.03442	0.7
81.07065	1.9
82.04198	0.2
83.04972	0.9
83.08655	0.4
85.02905	1.8
85.06561	0.4
86.09702	2.2
91.05486	1.6
93.03397	0.6
93.07045	1.9
95.04974	1.2
95.08625	0.8
97.02908	0.8
97.06538	0.8
98.21615	0.3
99.08086	0.3
100.11256	0.8
103.05476	1.1
105.01903	0.3
105.07035	1.3
106.04183	1.4
107.04978	1.8
107.08585	2.0
109.02902	0.7
109.06531	0.4
109.10179	1.4
110.03648	0.7
111.04443	1.0
111.08073	0.4
115.05459	2.7
117.07030	5.4
119.04940	0.3
119.08579	1.2
121.06535	0.5
121.10163	1.4
123.04437	6.1
123.11713	0.8
124.05243	2.4
125.06001	0.6
127.03914	0.5
127.05392	0.5
130.04103	0.4
131.04903	0.3
131.08548	1.1
133.06474	0.3
133.10139	0.8
134.03609	0.4
135.04404	0.4
135.08009	0.3
137.05968	0.4
138.03125	0.3
139.07600	0.4
139.11176	0.4
142.02676	0.5
143.04904	0.4
145.06491	9.3
145.10101	0.6
147.04422	0.5
147.08054	0.7
147.11720	0.5
149.09633	1.8
151.03903	1.3
151.11194	1.1
152.04660	1.6
153.05559	0.4
155.06030	2.1
155.07072	0.4
157.10159	0.3
159.11711	0.3
167.07045	100.0
168.07388	1.5
169.12254	2.5
171.06509	1.0
172.05235	0.3
173.05992	15.7
174.06528	0.4
175.07526	0.9
181.04968	21.3
182.05371	0.5
182.15453	0.8
191.07037	0.5
201.05525	0.9
201.16441	0.4
205.08617	3.5
207.10060	0.5
210.14932	0.9
217.08600	0.5
219.10124	0.3
233.08092	8.1
235.09676	3.9
235.16945	0.5
279.06644	0.3
299.20212	0.6
317.21170	1.1
323.09293	0.3
329.32019	0.3
355.11954	0.3
367.11725	0.6
373.18167	0.3
381.23865	0.5
387.14407	14.4
388.14899	0.4
399.14481	0.5
399.25024	1.4
417.15457	40.6
418.15506	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.02376	0.4
51.49121	0.3
53.03930	0.7
55.01859	0.5
55.05521	1.7
60.60630	0.3
65.03947	1.9
67.05508	1.7
69.03437	0.6
69.07040	0.5
69.93615	1.4
69.94023	0.7
73.09466	0.3
78.04716	2.5
79.05490	3.7
81.03432	0.4
81.07050	2.1
82.04162	0.6
83.04991	3.1
85.02895	1.0
91.05469	1.5
92.84194	0.3
93.03389	0.7
93.07021	1.3
93.66848	0.3
95.04965	2.1
95.08611	1.7
97.02894	0.6
97.06509	1.0
103.05491	2.1
105.07009	1.4
106.04141	1.3
107.04965	4.6
107.08585	1.5
109.10159	1.1
110.03665	0.9
110.38205	0.4
111.04420	1.2
115.05439	2.6
117.06226	0.5
117.07014	6.1
119.08597	2.4
121.10149	1.2
123.04434	7.5
123.08107	0.4
124.05217	3.5
125.05994	1.0
127.05443	0.6
131.04939	0.9
131.08534	0.5
133.06543	0.5
133.10129	1.3
134.03571	0.5
135.08063	0.5
137.02376	0.3
137.05945	0.7
138.03145	0.7
139.07558	0.4
142.02603	1.1
145.05397	0.7
145.06485	9.5
145.10132	1.0
146.06778	0.4
147.07974	0.7
147.11653	0.8
148.05122	0.4
149.09521	0.6
149.13397	0.4
151.03896	1.3
151.11122	0.6
152.04732	1.8
153.05473	0.4
155.05989	2.5
157.10126	0.8
159.11705	0.8
161.13251	0.7
163.07542	1.1
167.07042	100.0
168.07388	2.3
171.06503	1.7
173.05986	13.3
173.13229	0.6
175.07571	0.7
181.04961	32.9
182.05270	0.6
183.08118	0.4
185.13307	0.6
187.07616	0.5
187.14955	0.5
190.06303	0.4
191.06990	3.0
195.06511	1.1
201.05457	1.4
201.12936	0.5
205.08588	3.7
221.08064	0.4
233.08093	7.2
235.09639	3.5
299.20166	2.1
317.21207	2.6
327.12296	0.3
381.13248	1.1
387.14392	15.4
388.14993	0.7
399.14594	1.7
417.15457	41.6
418.15997	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03927	1.0
55.01853	1.0
55.05497	1.5
65.03945	2.8
67.05515	2.7
69.03413	1.1
69.07050	0.6
69.94796	2.3
77.72508	0.4
78.04713	2.2
79.05492	3.5
81.03417	0.8
81.07059	2.8
82.04181	0.7
83.04958	1.7
83.08615	0.5
85.02948	1.9
91.05475	2.6
93.03370	0.5
93.07054	2.4
95.04972	2.4
95.08591	1.9
97.02879	1.4
97.06518	1.7
99.04500	0.5
99.08070	0.6
101.85619	0.5
103.05453	2.6
105.06997	1.9
106.04143	0.9
107.04952	5.9
107.08590	1.8
108.02110	0.7
109.02870	0.8
109.06494	0.6
109.10131	1.5
109.82193	0.4
110.03658	0.8
111.04418	1.1
111.08084	0.9
115.05476	3.0
117.07014	5.6
118.04126	0.5
119.08580	2.5
121.06532	0.6
121.10140	1.2
123.04420	7.3
123.08059	0.9
123.11717	1.1
124.05228	2.7
125.05981	1.7
127.03896	0.7
127.05337	0.5
131.04916	2.1
131.08548	0.6
133.10123	1.7
135.07976	0.4
135.11629	1.1
137.06006	1.0
137.09601	0.7
137.13179	0.5
138.03123	0.7
142.02586	0.6
143.08594	0.5
144.05670	0.6
145.06483	9.1
145.07622	0.5
145.10114	1.5
147.11674	1.2
148.05200	1.3
151.03909	1.3
152.04652	2.3
155.06042	1.9
157.10088	0.6
159.11673	0.8
161.06020	0.6
161.13242	0.8
163.07544	1.9
163.14740	0.4
164.72787	0.4
167.07040	100.0
168.07381	1.6
171.06514	2.7
173.05986	15.2
173.09514	0.4
175.07483	0.5
175.14787	0.6
177.05545	0.9
181.04959	40.2
182.05302	0.8
185.13228	0.5
187.07512	0.5
191.07033	8.3
195.06552	1.3
201.16400	0.5
205.08585	3.2
207.10060	0.5
209.08073	0.6
217.08582	0.6
219.08182	0.6
219.10233	0.5
221.08116	0.6
233.08076	5.8
235.09726	3.4
239.17856	0.5
247.07423	0.5
257.04248	0.5
263.06525	0.5
263.09149	0.6
281.19165	0.5
299.20154	1.0
317.21100	3.3
371.15039	0.7
381.13547	1.0
387.09369	0.7
387.14398	13.4
399.14349	1.4
417.15472	39.2
418.15872	1.0
418.84702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03931	1.4
55.01858	2.5
55.05503	2.3
57.03438	0.8
59.04986	2.0
61.87141	0.6
65.03928	2.5
67.05523	3.6
68.99783	0.9
69.03432	7.5
69.07048	1.3
71.04971	2.0
71.59040	1.0
73.02900	1.4
76.72187	0.5
78.04698	2.6
79.05493	5.7
81.03421	6.3
81.07063	5.5
82.04180	0.8
83.04967	2.6
83.08610	0.9
85.02906	16.5
87.00835	5.2
90.52500	0.7
91.05484	4.3
93.07046	4.0
94.06167	0.6
95.04980	3.7
95.08605	2.3
95.78944	0.5
97.02893	7.3
97.06526	1.9
99.04450	2.5
101.06017	0.7
103.05477	2.9
105.01874	6.6
105.07023	4.5
106.04178	1.2
107.04954	6.8
107.08601	3.3
109.02889	5.2
109.06517	2.8
109.10136	5.1
110.03669	1.3
111.04478	1.2
111.08062	1.7
115.05444	3.8
117.01866	0.9
117.07026	6.3
118.04164	1.2
119.08584	3.1
121.06493	1.5
121.10156	1.8
122.03647	0.7
123.04430	7.2
123.08080	1.3
123.11707	4.4
124.05206	3.5
125.05996	1.3
125.09625	0.8
127.03913	10.8
127.05335	0.7
129.01833	0.6
131.04930	2.0
131.08601	1.2
133.10138	5.4
134.10483	1.2
135.08041	0.7
135.11674	1.4
137.05969	1.0
137.09589	1.3
138.03120	0.9
139.07501	0.9
142.02600	0.9
145.05014	3.2
145.06479	9.4
147.02927	0.7
147.08075	1.7
147.11671	2.5
148.05208	2.0
149.09616	1.2
151.03909	1.0
151.11188	6.9
152.04680	2.7
153.05409	0.9
155.06012	1.8
159.02882	3.4
159.11723	1.0
161.05969	0.8
161.09647	0.7
163.03848	1.5
163.07561	2.7
167.07039	100.0
168.07365	2.6
169.12206	0.9
171.06544	3.1
173.05991	14.8
173.09602	0.8
175.07568	1.0
175.11314	0.8
177.05414	0.7
181.04958	41.4
182.05310	1.1
183.11632	0.6
191.07033	9.8
193.12247	1.4
194.05739	1.0
195.06514	1.4
201.05527	1.0
205.08534	4.0
207.06390	0.8
209.08105	2.3
213.12787	0.6
217.08710	0.7
219.10085	0.8
221.76126	0.6
231.04956	1.5
233.08083	6.6
234.27060	0.6
235.09641	4.5
299.19989	2.0
313.16461	0.9
317.21048	1.8
329.10345	0.7
346.05463	0.7
381.13116	1.2
383.51639	0.6
387.14441	12.3
388.14722	0.9
399.14713	2.0
417.15436	30.2
418.15860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1548
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03938	0.6
53.09268	0.3
55.01861	0.9
55.05502	2.1
57.03436	0.7
65.03947	1.5
66.94118	0.3
67.05503	2.6
69.03436	2.8
69.07064	0.7
70.10419	1.5
70.78365	0.3
71.01320	0.3
71.04996	0.7
78.04714	2.5
79.05498	2.8
81.03426	1.9
81.06728	0.3
81.07059	3.1
83.04975	2.2
83.08649	0.5
85.02908	3.4
85.06546	0.6
86.09717	1.3
91.05488	2.3
93.07036	1.8
95.04977	2.0
95.08619	4.3
97.02892	2.8
97.06530	1.8
98.20694	0.4
99.04462	0.8
99.08069	0.4
103.05473	1.4
105.01859	1.2
105.07033	1.5
106.04169	1.1
107.04942	2.1
107.08588	2.0
109.02869	1.0
109.06519	1.0
109.10174	1.3
110.03661	0.8
111.04449	1.5
111.08089	0.9
115.03944	0.6
115.05486	3.2
115.25595	0.4
117.07008	5.2
119.04950	0.6
119.08609	2.1
121.02896	0.7
121.06484	0.4
121.10133	1.1
123.04430	7.2
123.08073	2.1
123.11703	0.9
124.05204	2.3
125.05965	0.7
125.09586	0.5
127.03929	1.9
127.05415	0.8
130.04176	0.3
131.04945	1.1
131.08586	0.8
133.06509	0.4
133.10139	1.1
134.03679	0.6
135.04448	0.4
135.08051	0.7
137.05952	0.9
137.09651	0.3
138.03151	0.8
139.07536	0.5
141.09082	0.8
142.02583	0.6
145.04909	0.5
145.06490	7.9
145.10135	0.9
147.04396	2.5
147.08066	0.7
147.11649	0.8
151.03862	1.5
151.11198	0.8
152.04713	1.6
155.06062	2.2
159.11705	0.8
161.05962	0.7
163.11266	0.4
167.07042	100.0
168.07420	2.0
169.12251	0.9
171.06476	1.6
171.11652	0.5
173.05989	15.5
174.06358	0.7
175.07463	0.8
177.16399	0.5
179.07071	0.4
181.04962	22.6
182.05341	0.8
191.07047	1.6
200.97244	0.4
201.05545	0.3
201.16356	0.4
205.08565	2.9
221.08066	0.4
233.05844	0.4
233.08107	6.4
235.09639	2.9
257.04407	2.9
263.06711	0.4
299.20074	1.1
317.21094	1.5
369.13046	0.4
387.14383	14.7
388.14807	1.0
399.14529	0.5
417.15411	39.4
418.15771	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03943	0.6
55.01844	0.4
55.05498	0.9
65.03923	1.7
67.05477	1.7
69.03439	1.0
69.07027	0.5
70.91132	1.2
70.91496	0.4
71.04965	0.4
74.62468	0.4
78.04713	2.8
79.05487	4.3
81.03411	1.0
81.07029	1.6
82.04182	0.5
83.04974	1.2
85.02908	2.4
87.62274	0.5
91.05482	2.6
93.03407	0.7
93.07034	2.9
95.04941	1.9
95.08583	1.1
97.02891	1.5
97.06506	1.3
103.05491	2.8
105.01857	0.7
105.07016	1.5
106.04146	1.2
107.04939	4.3
107.08585	2.3
109.02899	0.8
109.10145	0.9
110.03677	1.2
111.04448	1.1
115.05444	2.7
117.07017	4.9
118.04138	0.6
119.04938	0.6
119.08581	1.7
121.06535	0.6
121.10144	0.8
123.04423	5.5
124.05228	2.4
125.05950	1.3
127.03893	1.4
127.05431	0.8
131.04898	1.4
133.06419	0.8
133.10120	0.7
134.03642	0.6
135.04495	0.5
135.11659	2.7
137.02379	0.4
137.05971	0.9
142.02634	0.6
145.04913	0.4
145.05333	0.7
145.06488	8.9
147.04347	0.8
147.08026	0.7
148.05161	1.6
149.05946	0.4
149.09557	0.4
151.03874	1.1
152.04648	1.7
155.06027	2.5
159.11778	0.4
161.05951	0.4
163.07513	1.8
163.14795	0.6
167.07036	100.0
168.07365	1.7
171.06508	2.2
173.05977	14.0
175.07579	0.6
177.05487	0.5
179.07074	0.5
181.04950	34.6
191.07007	7.2
193.08626	0.5
195.06575	0.9
201.05452	1.0
205.08551	3.4
209.08151	0.6
217.08539	0.9
233.08067	7.3
235.07623	0.7
235.09596	3.3
253.19481	0.4
263.09387	0.5
275.38931	0.4
277.08664	0.4
280.88293	0.4
293.08038	0.5
299.20050	0.7
303.05029	1.5
317.21143	0.9
329.10074	1.0
381.13461	1.0
387.14389	15.4
388.14731	1.0
399.14539	1.0
417.15417	35.2
418.15918	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20794	6.4
50.82296	6.8
54.79478	6.1
55.05513	7.6
56.05033	7.8
57.03433	11.7
59.94718	5.6
60.04510	6.0
61.02910	7.9
69.03423	28.5
70.06594	32.2
71.04984	8.9
71.60268	11.8
72.08158	27.8
79.05510	9.3
81.03419	8.4
81.07060	21.7
83.08607	6.4
84.04491	8.6
84.08150	12.5
85.02904	41.3
86.09712	21.1
87.04481	11.3
89.06099	5.9
91.05476	26.1
93.07004	8.2
95.04993	7.5
95.08611	9.7
97.02895	22.5
98.97585	9.9
99.08104	12.5
100.08456	10.2
105.07044	27.4
107.08569	15.3
109.06509	7.8
109.10182	9.6
115.03914	9.0
115.05460	7.7
116.98623	8.4
119.04931	6.8
119.08592	11.7
120.08106	19.0
121.06525	18.1
123.04456	12.8
123.55969	6.2
124.05270	9.2
127.03928	17.5
129.10283	7.4
131.08600	8.2
133.06509	22.1
133.10155	13.2
136.07581	21.9
137.06001	13.1
145.06517	8.1
147.04427	9.7
149.05975	22.4
151.03934	7.6
161.05991	43.4
161.13261	7.2
163.07492	7.1
166.06195	7.0
167.07065	100.0
169.04924	6.6
173.13393	8.7
177.00761	8.7
177.05440	18.0
180.07756	9.5
181.04942	12.6
181.08640	28.0
187.07481	7.8
191.01308	6.2
191.14294	7.3
193.08638	38.9
195.10181	9.6
205.08429	7.3
209.08165	8.6
211.09653	79.1
215.04030	7.4
226.48854	6.4
236.12871	10.2
237.11232	18.5
254.10057	7.3
254.14104	45.4
283.14374	9.1
317.08218	11.1
416.19263	27.9
417.13876	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	416.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01868	0.4
55.05504	0.6
56.96576	0.3
57.03443	0.4
59.39145	0.2
60.04469	0.2
65.03936	0.6
67.05489	0.7
69.03415	1.4
69.07061	0.4
69.92078	0.4
69.92490	0.8
71.04982	0.4
73.02914	0.3
73.09580	0.3
75.02785	0.2
78.04668	0.3
79.05479	1.4
81.03404	1.0
81.07039	0.7
83.04986	0.4
85.02901	3.4
86.09684	0.6
87.00822	0.9
89.03945	0.3
91.05472	4.5
93.07059	1.6
95.04969	0.9
95.08600	0.5
97.02899	1.8
99.04450	0.7
102.09153	0.3
103.05472	0.6
105.01848	1.1
105.07027	21.8
106.07361	0.2
107.04957	1.3
107.08601	0.9
108.04466	0.4
109.02879	1.6
109.10146	0.9
115.05427	0.8
117.07002	1.8
118.07813	1.3
119.08560	0.7
121.10077	0.4
123.04399	0.7
125.02370	0.2
126.05500	0.3
127.03905	2.3
129.22803	0.2
131.04984	0.2
131.08556	1.7
133.10124	100.0
134.10443	1.8
137.05977	0.8
143.03320	0.3
143.08591	0.3
145.04996	0.7
145.06464	1.5
145.10155	0.5
147.02954	0.3
147.04362	0.4
147.11674	0.8
149.09544	0.3
150.12767	0.5
152.04642	0.4
155.06113	0.3
159.02863	0.7
159.11679	0.3
160.84616	0.2
163.03914	0.4
163.07558	0.3
164.04288	0.3
165.05585	0.4
167.07027	11.4
171.06519	0.5
173.05975	1.8
175.07495	0.3
175.11162	0.7
181.04947	5.3
181.06516	0.4
187.11179	0.2
189.03833	0.4
191.07027	0.7
199.11320	0.3
201.05576	0.3
201.16397	0.8
205.08670	0.5
209.08067	0.4
211.11009	0.3
216.43225	0.2
229.03375	0.3
231.04840	0.4
233.08049	0.7
235.09612	0.4
248.07413	0.3
250.09604	1.3
259.13312	0.3
314.48422	0.3
370.72903	0.2
387.14395	1.5
416.14102	0.6
416.19479	0.4
416.33783	0.7
417.15445	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	416.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.3
67.05518	1.2
69.03438	0.5
69.68216	0.7
69.68642	1.4
73.67600	0.3
79.05456	0.2
85.02914	1.0
87.04455	0.4
94.06571	4.5
94.07167	0.2
97.02882	0.5
98.97597	0.7
106.06543	1.7
111.04432	0.3
116.98631	0.4
119.04916	0.4
122.06030	4.3
127.03907	1.1
147.04408	1.1
150.05505	100.0
151.05840	1.2
153.12706	0.3
168.06563	43.1
169.25246	0.3
177.00687	0.3
180.01289	0.3
206.08191	0.3
245.04922	0.8
288.46964	0.2
293.78244	0.3
298.03778	0.3
405.79749	0.2
416.11252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2476
Annotation	 [4aS-[4aalpha,5alpha,6beta(Z),7alpha(Z),8abeta]]- 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6,7-diyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
50.19086	3.6
55.05507	12.2
67.05500	7.9
68.20335	3.2
69.03429	8.8
69.07057	7.0
71.38210	5.2
78.85299	2.9
79.05486	11.8
81.07050	15.8
83.04969	10.6
84.79486	3.0
91.05489	20.8
93.07030	16.1
95.04968	4.1
95.08614	14.9
95.46674	3.2
97.02865	4.2
97.06527	12.0
101.06015	6.2
102.20811	3.8
105.07025	20.6
107.08595	24.5
109.06518	8.3
109.10165	9.5
111.04425	4.3
111.08086	3.9
111.40825	2.9
117.07035	5.5
119.08582	64.9
121.06516	10.7
121.10165	12.4
123.08080	11.2
131.08618	8.4
133.06509	3.8
133.10120	16.1
135.08058	83.8
135.11697	4.1
137.05917	3.2
137.09645	11.6
142.07814	4.1
143.08565	5.4
145.10118	11.4
147.08020	4.9
147.11702	12.2
149.09628	12.7
156.09354	5.6
157.10179	15.5
159.11690	10.9
161.09624	9.6
161.13284	5.5
171.11707	14.6
173.09766	3.3
173.13257	8.9
175.11182	12.1
175.14824	7.0
185.13333	6.8
187.11166	9.4
187.14784	4.8
189.12802	5.5
195.11768	4.7
199.11287	6.6
199.14850	6.1
203.14214	16.7
213.12857	8.5
217.15826	3.5
227.17862	7.0
237.16411	4.3
255.17458	5.5
269.18948	10.0
273.18243	5.9
279.17493	4.6
285.03372	4.0
297.18478	23.7
311.97021	3.7
315.19531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	21.0
62.86321	2.5
67.05498	11.8
69.03414	8.2
69.07053	11.3
70.61776	6.0
70.62118	2.6
79.05482	13.7
79.96525	2.4
81.07056	13.4
83.04981	16.7
83.08639	3.1
91.05467	17.3
93.07042	13.8
95.04965	4.3
95.08637	14.4
97.02894	3.0
97.06538	13.0
101.06000	8.4
104.46914	2.9
105.07021	21.4
107.04926	6.2
107.08598	30.3
109.06539	13.6
109.10142	10.6
111.04444	8.4
111.08083	5.5
117.07011	7.7
119.07926	2.5
119.08595	31.0
121.06489	9.9
121.10152	18.5
123.08051	15.0
123.11713	2.5
129.06963	3.1
131.08563	4.6
133.06462	3.9
133.10120	21.6
135.08052	82.4
135.11673	6.5
137.09607	16.0
139.07538	5.1
142.07755	4.4
143.08580	7.7
145.10117	15.1
147.08049	8.7
147.11682	10.8
149.09596	11.7
156.09300	5.4
157.10143	11.0
159.08066	3.1
159.11746	12.7
161.09644	13.6
161.13255	8.5
163.11162	5.8
169.10162	3.3
170.10910	3.8
171.11688	14.3
173.13300	8.2
175.11162	12.4
175.14809	8.7
181.10095	3.9
183.11670	5.9
185.09666	4.4
185.13235	10.4
187.11203	11.6
187.14850	3.1
189.12827	3.6
195.11623	5.6
197.13181	7.1
199.11142	9.6
199.14775	6.8
201.12756	4.9
201.16493	2.6
203.10544	6.3
203.14290	19.3
209.13335	5.1
211.14784	2.8
213.12762	7.5
217.12294	2.7
225.16367	3.1
227.18010	4.1
237.16423	5.3
251.17906	5.8
255.17487	8.5
269.18961	9.2
273.18503	3.5
279.17435	7.3
287.20111	4.8
297.18417	27.2
315.19547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
54.00946	1.7
55.05510	65.5
57.03420	4.6
57.07077	2.2
57.58173	1.6
61.25158	1.6
67.05504	21.9
69.07056	7.5
70.12396	7.5
79.05122	1.8
79.05494	17.8
81.07050	29.0
83.04979	100.0
91.05469	14.5
93.07039	27.2
95.04958	6.0
95.08604	20.5
97.53040	1.5
98.97852	2.6
98.98460	31.8
105.07030	16.5
107.08585	25.7
107.81870	1.7
109.06521	3.2
109.10153	9.6
111.04410	5.1
117.07010	8.0
119.08573	19.9
121.06532	1.8
121.10140	18.3
123.08059	2.2
123.11687	5.0
129.07033	2.1
131.08595	11.9
133.10124	13.6
134.36192	1.7
135.08044	4.2
135.11696	15.2
137.09630	2.5
142.07797	2.4
143.08578	4.0
145.10143	10.8
145.11122	1.8
147.11676	7.1
149.09572	3.8
149.13258	13.8
154.99886	2.5
155.01051	37.5
155.08600	2.8
157.10129	6.0
159.11710	10.5
161.09584	1.8
161.13222	6.2
163.11179	2.4
163.14806	6.6
169.10063	3.3
171.11693	5.7
173.13338	8.3
177.16464	2.0
185.09473	2.0
185.13315	2.2
187.11211	1.8
187.14757	5.3
195.11702	1.8
199.11014	1.7
201.16325	1.9
205.15831	2.0
211.14832	2.3
213.12424	1.7
227.10620	1.8
243.21057	12.0
255.17387	2.1
261.22128	43.8
262.22461	2.7
271.16696	2.3
273.67603	1.8
297.18503	5.1
315.19534	6.2
360.28311	1.7
414.58414	1.9
415.22614	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	415.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
53.06836	1.3
55.05511	59.5
57.07071	12.3
67.05501	7.8
69.07056	5.5
69.82730	2.9
69.83138	5.0
79.05496	8.4
81.03405	3.9
81.07053	10.6
82.74775	1.2
83.04979	100.0
85.06541	11.8
91.05470	11.1
93.07038	12.4
95.04958	5.1
95.08582	9.7
97.06519	1.9
98.20806	1.8
98.98463	3.8
105.07012	12.5
107.08588	13.3
109.02881	13.1
109.06507	5.4
109.10136	7.8
111.04433	5.5
111.08065	1.6
117.07021	4.8
119.08575	39.3
121.06516	1.9
121.10133	8.7
123.11739	1.7
125.06026	1.9
125.09628	1.3
127.03921	3.6
128.06241	1.4
129.06970	3.2
131.08524	6.8
133.10123	9.1
135.08037	6.0
135.11673	5.7
141.07042	1.4
142.07768	1.7
143.08553	4.3
145.10124	9.8
147.11681	5.8
149.09541	3.4
149.13232	4.2
155.01050	6.0
155.08507	2.6
156.09343	1.5
157.10168	7.2
159.11653	7.6
161.09572	2.1
161.13283	2.6
163.11234	1.9
163.14815	1.8
165.09103	1.7
169.10133	4.6
170.72432	1.4
171.11681	6.4
171.21997	1.4
173.13264	2.5
181.10072	2.4
183.11710	4.5
185.09541	2.1
185.13269	5.1
187.11131	1.2
187.14806	3.9
189.12758	1.6
195.11710	3.0
197.13286	3.2
199.11188	2.5
199.14816	4.7
203.10762	1.2
209.13214	2.3
211.09636	15.4
211.14850	2.3
213.12758	2.5
215.14270	1.2
231.13762	1.6
237.16473	1.7
241.19328	1.4
243.21077	2.9
251.17873	2.1
253.15805	1.5
257.15414	2.0
259.16879	1.5
261.22177	5.1
271.16797	1.9
273.14960	1.3
293.44226	1.2
297.18402	7.2
315.19586	10.8
415.24622	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2479
Annotation	Valdivone A
Peak:m/z	Relative Intensity
53.03944	2.1
55.05512	56.8
56.96577	0.6
64.55321	0.5
65.03922	0.9
66.65094	0.5
67.05505	3.0
69.03413	1.3
69.07069	1.6
69.36776	6.5
79.05493	3.7
81.07059	3.7
83.04982	100.0
84.05309	1.1
91.05464	4.2
93.07037	5.0
95.04975	2.4
95.08598	3.7
97.02878	0.8
101.05996	0.6
105.07029	5.7
107.04940	2.5
107.08609	5.9
109.06532	1.8
109.10133	2.8
111.04446	3.2
111.08070	0.8
117.07069	1.1
119.08574	12.7
120.08986	0.8
121.06525	1.9
121.10137	2.6
123.08044	1.4
125.06024	0.7
131.08575	3.1
133.06535	1.5
133.10115	3.6
135.08047	11.2
135.08987	0.8
135.11710	1.8
137.09645	0.8
141.07022	0.8
142.07837	0.9
143.08546	1.8
145.10117	3.5
147.08075	2.4
147.11726	2.0
149.09616	2.5
155.08595	1.3
157.10114	3.9
159.08069	0.9
159.11699	3.0
161.09669	2.3
161.13281	1.1
163.11169	1.6
163.14925	0.7
169.10117	0.9
171.08012	0.8
171.11760	2.1
173.13292	2.4
175.11194	1.2
181.08662	0.8
181.10049	1.3
183.11720	1.1
185.13316	1.9
187.11127	1.5
189.12793	0.7
195.11693	1.4
196.12332	0.6
197.13239	1.2
199.11235	1.4
199.14835	1.3
201.12695	0.8
205.12228	0.9
205.15997	0.8
209.13210	0.6
211.14722	1.0
213.12747	1.3
213.16266	0.7
217.12271	0.7
225.12779	0.6
227.14375	0.8
237.16370	0.6
238.33516	0.6
240.69751	0.7
241.19513	0.7
251.17967	1.3
255.14029	0.7
255.17468	1.5
257.15405	0.6
269.18948	1.5
273.18433	1.3
279.17444	1.3
287.19901	1.1
297.18533	5.6
315.19559	31.9
316.19916	1.1
320.23108	1.9
344.18158	1.7
344.68448	0.7
415.18527	2.0
415.24680	15.7
433.19067	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73825	1.7
55.05498	8.5
57.07056	1.9
59.04999	100.0
67.05495	8.5
69.07069	9.1
71.04978	2.1
71.60173	2.2
71.60536	2.7
79.05499	7.2
81.06633	1.7
81.07043	9.5
83.04978	8.0
83.08607	3.0
91.05468	24.0
93.07021	10.6
95.04984	2.8
95.08602	7.8
97.02872	2.2
98.98477	3.4
105.07028	66.1
107.08624	10.5
109.06489	3.6
109.10131	7.0
111.04430	13.5
117.07031	9.6
118.19217	1.9
119.08582	21.6
121.10126	6.4
122.16400	1.7
128.06227	3.7
129.07014	7.7
130.07722	2.3
131.08580	35.8
133.10127	8.3
135.08073	13.5
135.11694	4.4
141.06998	8.5
142.07799	7.9
143.08574	21.3
144.09425	2.4
145.10115	23.0
147.11708	4.6
149.09610	3.0
155.08557	49.7
156.09328	6.5
157.10132	46.1
159.11697	59.6
161.09561	2.1
161.13284	6.1
165.07040	3.9
166.07822	2.4
167.08580	4.8
167.42535	1.8
169.10114	16.5
170.10783	3.0
171.08080	3.7
171.11671	35.0
173.13231	11.6
175.14838	4.0
179.08560	6.0
180.09286	2.4
181.10136	23.6
183.08170	2.8
183.11714	19.7
185.09631	4.5
185.13258	19.3
187.14844	3.6
193.10133	6.5
195.11699	23.0
196.12524	5.3
197.09608	6.1
197.13289	11.7
199.11256	2.3
199.14816	2.9
203.14339	3.8
205.10046	2.4
205.15816	4.4
207.11717	2.7
208.12419	3.1
209.13295	14.3
211.11166	5.0
211.14818	41.3
213.16374	46.7
217.12317	3.2
219.11606	2.5
220.12459	3.1
221.13237	9.1
223.11336	4.1
223.14801	2.5
225.12820	2.8
225.16408	2.3
227.17940	21.7
235.14821	12.1
237.12799	2.1
237.16380	49.7
239.14297	13.2
246.13974	3.4
251.17964	8.2
253.15941	8.9
255.17432	72.9
255.20117	3.7
257.15298	18.4
261.16422	7.4
273.18387	15.7
279.17422	36.1
297.18478	37.2
315.19571	69.6
325.90329	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2479
Annotation	 [4aS-[4aalpha,5alpha,6beta(Z),7alpha(Z),8abeta]]- 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6,7-diyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
51.39037	0.8
53.03942	2.6
55.05511	55.1
57.53258	0.9
67.05502	6.4
69.03421	2.0
69.07052	3.5
70.63991	1.2
70.64339	3.3
79.05490	5.5
81.07045	5.5
83.04980	100.0
91.05474	7.9
93.07047	14.4
95.04971	3.1
95.08620	7.1
97.02908	1.2
101.06033	1.3
105.07024	12.5
107.04990	1.5
107.08597	13.6
109.06506	2.7
109.10164	3.6
111.04443	6.8
111.08079	2.7
115.05427	2.0
117.07017	3.1
119.08582	20.9
121.06505	3.6
121.10139	18.8
122.38685	0.8
122.75739	0.9
123.08064	3.2
123.11584	1.0
125.05960	0.9
129.07008	3.4
130.07817	1.1
131.08601	5.8
133.06581	0.9
133.10130	10.4
135.08051	41.4
135.11690	3.7
137.05991	1.4
139.07582	0.9
141.57501	0.9
142.07797	2.9
143.08577	3.8
144.09315	1.4
145.10104	9.0
147.08043	2.2
147.11667	4.3
149.09619	3.8
149.13280	1.4
155.08551	1.4
156.09364	2.9
157.10114	7.7
158.10950	1.3
159.11682	9.2
161.09615	4.7
161.13266	3.5
163.03873	0.9
163.11131	1.1
165.07014	1.4
167.08598	1.1
169.10153	3.1
171.08060	1.4
171.11722	7.2
173.09644	2.6
173.13266	4.0
175.11188	3.4
175.14832	2.1
181.10098	2.5
183.11693	2.4
185.09633	3.5
185.13268	4.1
187.11195	2.3
187.14836	3.9
189.12724	2.8
189.16389	1.6
193.10178	1.2
195.11749	3.5
197.13251	2.6
199.11203	4.1
199.14841	4.0
201.12674	1.3
203.10643	2.2
203.14360	1.6
205.12160	1.1
205.15831	1.9
207.11729	1.9
209.13239	3.4
211.11324	1.3
211.14841	2.2
213.12761	4.2
216.03351	0.9
217.12395	1.2
223.11185	1.2
223.14821	1.1
227.10570	1.2
227.14345	1.0
227.17918	1.8
237.12727	1.2
237.16414	1.3
241.12215	0.9
245.11772	1.5
251.17984	1.9
255.13852	2.1
255.17409	6.0
259.13315	1.5
269.18973	2.9
273.18478	2.4
279.17621	1.9
287.20032	2.8
297.18469	9.1
315.19543	25.8
363.61087	0.9
415.24719	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2329
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
53.03953	2.3
55.01870	2.5
55.05503	5.6
57.03431	4.0
61.02914	2.5
65.03931	2.0
67.05524	2.6
69.03439	9.6
69.07062	4.6
70.06577	1.1
71.05002	1.8
73.02946	2.0
79.05505	4.2
80.65382	1.1
81.03420	3.2
81.07061	15.9
83.05000	1.5
83.08617	1.8
85.02911	28.2
85.06539	1.8
86.09671	1.4
91.03938	1.3
91.05478	7.0
93.07052	7.7
95.04995	2.6
95.08604	4.8
97.02914	7.8
97.06545	5.3
98.82572	1.1
98.97572	1.4
105.07042	5.9
107.04960	21.4
107.08593	5.0
109.02898	3.1
109.06531	2.1
109.10137	3.8
111.08072	10.9
117.07068	1.7
119.08591	11.1
121.06508	3.0
121.10152	5.9
123.08110	1.9
124.05293	1.3
127.03913	12.3
129.06981	1.2
131.08623	2.0
133.05009	1.1
133.10143	6.6
135.08081	2.0
135.11650	1.5
137.06001	3.9
137.09583	2.6
145.04990	6.8
145.06456	2.1
147.08061	9.1
147.11696	4.2
149.09633	3.4
149.13365	1.1
157.10153	2.7
159.11736	4.7
161.09598	2.4
163.11267	1.4
165.09099	4.5
167.07077	9.5
167.10695	1.1
171.11761	1.8
173.13274	1.4
175.14857	3.0
177.12758	77.4
178.13055	1.3
181.04967	8.7
189.12810	1.4
189.16440	3.4
195.06558	7.0
199.14832	2.0
201.05473	2.4
205.08640	1.5
205.15926	2.8
217.15898	11.1
233.08154	2.8
235.16943	100.0
236.17491	1.2
253.14278	2.4
253.18010	39.0
253.20647	2.3
268.89291	1.2
283.05884	1.3
284.12006	1.2
319.10681	1.4
323.09995	1.8
337.06961	1.5
387.14484	3.1
397.22565	1.3
415.14432	4.0
415.19293	3.9
415.23306	3.7
434.14029	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2326
Annotation	Dendromoniliside A
Peak:m/z	Relative Intensity
53.03941	4.4
54.80616	1.7
55.01863	3.9
55.05510	4.6
56.24057	1.7
57.03428	5.8
58.03563	1.5
61.02931	8.7
67.05505	15.8
69.03432	56.3
69.07069	5.1
69.45650	14.5
70.06605	1.8
71.04997	5.9
73.02908	3.8
79.05491	9.1
81.03423	10.0
81.07062	18.6
83.04971	4.0
83.08621	2.3
85.02912	68.8
85.06549	13.5
86.09704	3.9
87.04467	6.2
89.06026	1.5
91.03947	2.7
91.05464	16.0
93.07054	29.2
95.04970	3.9
95.08613	9.8
97.02899	27.5
97.06528	4.4
99.04466	3.8
100.34383	1.7
105.07030	18.3
107.04945	7.2
107.08598	15.2
109.02896	9.0
109.06517	4.9
109.10130	9.8
111.08096	13.2
113.02383	1.7
115.03947	2.6
117.07012	2.7
119.04924	1.9
119.08574	22.2
121.06531	4.0
121.10147	25.8
123.08089	9.2
123.11681	2.5
125.09617	4.2
127.03909	17.9
131.08557	5.5
133.06499	2.0
133.10141	19.2
135.08061	12.1
135.11681	3.4
137.09639	3.5
143.08621	1.5
145.04959	11.8
145.06409	1.6
145.10138	3.4
147.08037	14.1
147.11696	8.1
149.09648	4.0
149.13280	3.2
151.11198	2.7
157.10107	5.6
159.11729	10.4
161.09599	4.9
167.07011	5.5
173.13219	3.9
175.11240	5.4
175.14801	3.7
177.12759	24.1
181.04984	6.2
187.14836	2.1
189.12724	5.4
189.16386	4.2
195.06541	5.7
199.14819	4.0
205.15889	11.9
217.15894	40.3
233.08150	1.7
235.08699	4.6
235.16933	100.0
236.17270	2.9
245.63704	1.8
246.14755	1.8
253.15459	2.3
253.18042	32.9
276.59006	1.7
305.96085	1.6
317.02859	4.1
387.13953	2.4
415.15311	6.5
415.23438	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	415.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.4
57.07076	84.0
59.47754	1.5
67.01859	3.4
69.47121	13.6
81.03419	21.1
81.07050	1.5
85.06546	67.0
98.21573	2.5
99.04429	1.8
109.02883	99.0
119.08620	2.5
121.10167	1.5
127.03923	26.0
184.44031	1.7
211.09660	100.0
212.09976	2.2
235.99333	1.4
295.15430	10.1
415.28088	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	415.1729
Annotation	Neokadsuranin
Peak:m/z	Relative Intensity
53.03941	1.9
55.05502	3.8
56.96576	1.1
57.03430	1.5
57.07069	3.2
59.43565	1.1
67.05506	6.7
69.03423	3.6
69.07067	16.0
69.99558	6.1
70.06591	10.3
71.04986	4.9
71.08617	1.2
72.08151	1.9
73.02932	1.4
79.05483	7.3
81.03430	1.2
81.07054	100.0
82.07384	1.9
83.04956	1.5
83.08613	3.4
84.08140	1.5
85.02892	7.2
85.06519	3.8
86.09689	4.6
91.05479	4.1
93.07031	1.6
95.04935	1.5
95.08605	34.7
97.02875	3.8
98.97562	1.9
98.98472	4.2
99.08090	24.1
105.07029	2.6
107.04958	2.0
107.08578	1.3
108.45135	1.2
109.10166	4.9
111.11715	4.6
112.32741	1.1
116.07097	2.4
116.98605	1.7
119.04954	5.8
119.08623	1.3
127.03912	2.2
132.04449	2.6
133.10123	1.8
135.11687	1.6
137.13248	29.2
143.11786	1.8
145.02875	2.3
147.03256	1.5
147.04405	26.1
151.03909	1.7
152.00975	1.2
155.14305	79.7
161.05980	1.9
167.07040	3.5
171.11421	1.4
177.05435	4.5
229.15546	1.2
237.02745	1.9
253.12009	50.2
344.97607	2.2
347.08972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01868	6.9
55.08159	1.0
57.03429	6.8
61.02930	6.2
68.99785	2.9
69.03429	45.6
69.38301	11.9
70.06600	2.5
71.05004	5.4
73.02922	4.5
79.05491	2.1
81.03418	27.9
81.07049	1.6
83.04996	1.9
85.02908	100.0
85.06487	1.3
86.09696	8.0
86.70489	1.3
87.00831	55.8
91.05480	25.1
93.07026	2.4
95.04965	1.3
95.08567	1.8
96.27269	1.2
97.02892	30.2
99.04461	13.1
101.02351	1.2
105.01866	63.4
105.07022	2.8
107.04940	2.0
107.08596	1.6
109.02881	29.1
111.04442	2.0
111.08074	1.5
115.03895	1.3
117.01814	1.4
117.07038	1.3
119.08581	2.1
121.10140	2.5
127.03918	72.7
129.01874	2.4
129.06993	3.0
130.08630	1.4
131.08572	19.3
133.10117	1.8
137.05972	1.6
143.08542	3.1
145.04955	21.4
145.06021	2.1
145.10106	3.4
147.02881	2.3
147.08026	2.8
149.09622	9.9
159.02858	5.8
163.03870	2.1
167.07050	1.3
167.10719	1.4
173.09604	1.7
173.13239	1.4
181.04979	1.2
189.04065	2.4
192.11011	1.1
213.03976	4.5
231.05032	17.6
239.10596	1.8
249.06181	2.3
253.14626	1.1
257.11798	6.8
264.56491	1.2
273.11212	1.4
276.49707	1.2
397.16437	2.0
415.15240	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01868	6.9
55.08159	1.0
57.03429	6.8
61.02930	6.2
68.99785	2.9
69.03429	45.6
69.38301	11.9
70.06600	2.5
71.05004	5.4
73.02922	4.5
79.05491	2.1
81.03418	27.9
81.07049	1.6
83.04996	1.9
85.02908	100.0
85.06487	1.3
86.09696	8.0
86.70489	1.3
87.00831	55.8
91.05480	25.1
93.07026	2.4
95.04965	1.3
95.08567	1.8
96.27269	1.2
97.02892	30.2
99.04461	13.1
101.02351	1.2
105.01866	63.4
105.07022	2.8
107.04940	2.0
107.08596	1.6
109.02881	29.1
111.04442	2.0
111.08074	1.5
115.03895	1.3
117.01814	1.4
117.07038	1.3
119.08581	2.1
121.10140	2.5
127.03918	72.7
129.01874	2.4
129.06993	3.0
130.08630	1.4
131.08572	19.3
133.10117	1.8
137.05972	1.6
143.08542	3.1
145.04955	21.4
145.06021	2.1
145.10106	3.4
147.02881	2.3
147.08026	2.8
149.09622	9.9
159.02858	5.8
163.03870	2.1
167.07050	1.3
167.10719	1.4
173.09604	1.7
173.13239	1.4
181.04979	1.2
189.04065	2.4
192.11011	1.1
213.03976	4.5
231.05032	17.6
239.10596	1.8
249.06181	2.3
253.14626	1.1
257.11798	6.8
264.56491	1.2
273.11212	1.4
276.49707	1.2
397.16437	2.0
415.15240	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	0.6
57.03431	1.1
69.03419	2.1
70.06591	0.6
71.04293	1.3
72.08169	0.7
85.02918	4.7
91.04960	0.9
91.05486	10.9
95.01331	1.2
96.40446	0.6
97.02890	1.7
98.97588	0.8
109.10197	0.5
116.98573	0.9
119.04099	0.9
119.04947	16.7
119.48670	0.5
141.01825	1.4
147.04414	100.0
148.04726	1.8
167.07069	0.6
214.06708	0.8
223.06923	0.6
237.02853	0.6
239.09218	1.3
265.07413	0.6
283.08420	1.0
323.07700	2.9
345.51169	0.6
367.10669	0.7
392.18967	0.6
427.12637	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.5
55.01877	11.6
55.05500	2.5
57.03435	6.8
61.02913	3.9
63.06034	1.7
65.03918	1.8
67.05486	2.9
68.99790	3.5
69.03431	26.7
69.07062	2.9
70.06587	5.0
71.04976	6.1
71.05311	1.3
71.58807	1.3
72.08156	2.6
73.02908	7.9
79.05501	10.3
81.02972	2.7
81.03415	29.5
81.07053	5.0
83.04973	3.4
84.08151	1.7
85.02905	68.5
86.09706	4.7
87.00827	24.6
91.03954	3.4
91.05477	17.0
93.07040	20.6
95.04951	7.3
95.08605	2.4
97.02892	25.0
97.06530	1.8
97.50351	1.7
99.04462	13.0
103.03956	4.1
103.05484	2.2
105.01861	18.3
105.04517	1.5
105.07027	10.8
107.04953	56.6
107.06890	1.3
107.08594	13.8
109.02886	27.7
109.06514	20.6
111.04446	1.8
117.01878	3.5
117.07054	2.6
117.34851	1.6
119.01924	5.9
119.08593	4.4
121.05649	3.0
121.06506	49.4
121.10152	21.2
121.10944	2.7
122.06862	2.0
123.04450	2.1
123.08077	2.8
127.03919	53.2
129.01854	3.4
129.06979	1.8
131.04933	2.3
131.08566	8.0
133.06465	4.6
133.10144	6.9
137.09628	3.7
143.01895	5.9
145.04965	24.1
145.06448	4.2
147.02901	3.3
147.08031	5.6
147.11650	1.4
149.06033	2.1
149.09616	100.0
150.09886	1.9
157.06461	1.3
159.02882	20.5
161.02965	12.8
163.07536	2.3
167.07001	2.0
167.10690	25.4
171.02913	1.7
171.08054	2.9
175.07581	1.5
186.46269	1.3
191.10713	2.7
199.07483	3.5
203.04010	4.1
203.10776	1.5
211.02203	1.4
213.03914	2.2
217.08578	4.2
231.05032	9.9
233.11627	2.5
235.11855	3.2
253.12805	8.5
257.11841	2.1
295.13873	2.3
323.90900	1.4
334.06177	1.9
377.01929	2.9
379.13727	1.7
397.14764	1.7
415.15094	2.9
415.19882	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96231	0.6
56.47311	0.6
56.96566	1.6
65.03921	1.5
69.03446	3.9
69.36868	6.7
69.99998	0.7
72.08150	0.7
73.02923	1.1
77.77953	0.6
81.07072	0.9
85.02920	7.4
85.06516	0.7
86.09649	0.8
87.04479	2.2
91.05491	20.9
92.05830	1.5
95.01340	1.4
97.02902	2.4
98.97584	2.4
105.07032	1.2
107.08612	0.9
115.03944	0.9
116.98642	2.4
119.04953	15.9
119.08582	2.1
121.10147	0.7
123.11712	0.9
127.03918	0.8
128.98640	0.7
131.08551	0.7
133.05023	0.9
134.99663	1.0
136.85463	0.7
141.01839	2.0
145.10150	0.9
147.04422	100.0
148.04771	1.1
158.99727	1.0
167.07149	1.0
177.00737	1.9
177.05510	1.7
181.04979	0.8
214.06721	1.2
219.01669	0.9
221.46600	0.7
222.08353	1.3
223.06526	1.6
230.06551	0.8
234.29471	0.6
235.63695	0.7
237.02794	1.7
239.09207	1.2
265.16541	0.7
323.07675	3.1
327.07666	1.5
335.62802	0.7
364.21078	0.7
367.10797	1.1
387.14871	0.7
395.28107	0.7
397.50830	0.8
414.65811	1.6
415.14911	1.0
425.14801	0.8
427.12912	3.0
428.12787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.7
69.03418	1.4
69.07063	0.8
70.06571	1.3
70.84880	1.6
72.08150	1.6
73.43728	0.5
79.05483	1.3
81.03412	1.5
81.07065	1.0
83.04988	0.5
84.08150	0.5
85.02899	2.2
86.09711	2.6
89.03915	8.5
91.05482	10.4
92.05834	0.8
93.07032	1.2
95.04997	0.8
95.08622	0.5
97.02893	1.1
98.97558	0.6
99.04446	0.9
103.05434	0.8
105.07014	0.9
106.04163	0.6
107.04933	0.9
107.08586	0.7
109.02851	0.6
109.06525	0.8
109.10153	0.5
111.04480	0.5
116.07091	1.1
117.03384	22.5
119.08609	1.0
121.06431	0.6
121.10145	0.7
124.05205	0.5
127.03904	2.7
133.06194	0.5
133.10092	0.6
134.03641	1.8
134.99673	0.7
135.04422	1.7
145.02849	48.6
146.03201	1.1
149.05992	7.8
149.09647	0.7
150.43900	0.4
151.11197	0.6
153.05392	0.5
157.63568	0.4
163.03865	0.7
167.07002	1.2
167.10631	0.9
173.12889	0.8
177.05476	100.0
178.05844	1.4
181.04987	0.8
186.05498	1.8
193.24409	0.5
195.06508	0.7
201.12341	0.7
217.15892	0.6
220.56030	0.4
227.10150	0.5
327.07568	0.7
345.07959	1.1
347.09314	0.8
397.11206	1.7
415.15082	4.3
415.20416	0.7
421.79739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.05495	2.3
57.03438	16.9
59.05005	3.3
61.02917	5.8
67.05509	2.1
69.03432	69.6
69.07093	1.4
69.94709	6.5
69.95123	3.2
70.06569	1.7
71.04984	3.3
73.02919	4.8
75.04489	4.2
79.05497	2.5
81.03415	8.5
81.07057	3.6
82.78184	1.4
83.04990	4.4
84.04485	1.8
85.02907	100.0
85.06550	25.5
87.04471	46.8
87.97907	1.4
91.03963	3.6
93.07061	3.0
95.04970	4.3
97.02284	3.3
97.02892	55.3
97.18050	1.5
99.04453	5.3
109.02878	7.0
109.06548	4.0
109.43039	1.5
111.04465	2.9
115.03928	68.2
117.15319	1.7
121.06528	1.8
123.08086	4.0
127.03918	23.9
133.04967	78.1
135.08037	5.4
141.11629	1.7
145.04959	36.9
147.04333	2.1
150.07631	5.2
151.07581	4.0
153.09116	7.0
153.12740	1.8
163.06010	13.1
163.07291	2.4
172.95276	1.5
181.08623	2.2
184.63869	1.8
199.09644	21.0
217.10791	7.0
229.10672	12.8
241.07069	3.6
252.06763	1.9
259.08203	5.3
260.16968	2.0
277.09332	1.9
295.10297	4.9
325.07355	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
65.03934	0.9
67.05538	0.4
69.03419	0.6
69.07088	0.4
69.26642	2.5
69.27068	2.2
70.06593	3.0
72.08140	1.0
73.02897	0.7
74.88408	0.4
79.05515	0.5
81.07058	6.3
83.04976	0.6
85.02908	2.3
85.06551	0.6
86.09700	1.4
91.05477	6.6
95.01329	1.2
95.08616	2.1
97.02908	0.7
98.20655	0.7
99.08097	6.2
113.81987	0.5
116.07090	0.6
119.04951	17.5
119.08594	0.5
120.05276	0.5
127.03910	0.6
129.10240	0.5
130.16714	0.6
137.13242	1.5
141.01831	2.0
145.02867	0.5
147.04411	100.0
148.04745	1.7
155.14334	1.9
163.03976	0.8
165.05490	0.8
173.12943	0.4
177.05481	1.0
181.04869	0.6
221.08115	0.7
239.09149	1.1
253.12056	3.1
323.07635	2.6
415.15164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.3
57.03434	10.3
61.02956	1.8
65.74854	2.0
67.05502	21.9
68.05839	3.3
69.03075	3.4
69.03431	52.7
69.07069	16.1
70.07409	4.5
70.86820	5.9
71.04989	2.7
78.58754	2.0
79.05490	13.8
81.03426	5.2
81.07060	40.5
82.07391	7.9
83.04977	5.0
83.08627	4.2
85.02911	25.7
85.06522	3.8
85.48601	1.9
87.04477	29.5
91.03967	1.9
91.05465	11.4
92.05837	4.2
93.07042	26.8
94.07372	7.7
95.04966	4.0
95.08612	64.5
96.08945	14.5
97.02899	43.5
97.06513	3.9
97.10194	3.9
99.04456	7.1
99.08038	2.3
105.07030	22.5
106.07365	8.6
107.04933	4.5
107.08600	38.8
108.08912	11.7
108.84219	2.0
109.06516	7.9
109.10162	35.5
110.06872	2.0
110.10487	11.8
111.04444	7.0
111.08091	4.1
112.08421	2.6
115.03927	47.6
116.47949	2.0
117.05512	3.4
119.08588	28.2
120.08917	7.7
121.06522	2.1
121.10146	26.9
122.10490	9.9
123.08056	3.7
123.11707	10.4
124.12044	4.3
125.05981	2.9
127.03929	10.8
127.07558	3.0
129.06937	2.0
131.08568	9.5
132.08862	3.6
133.04976	44.9
133.10135	23.6
134.10480	9.2
135.08087	5.4
135.11716	13.9
136.12039	8.1
137.05978	17.8
137.13278	2.9
138.06308	4.4
138.13641	1.8
139.03915	6.1
143.03366	2.1
143.08583	3.5
145.04935	10.5
145.10127	11.5
145.32011	2.2
146.10460	6.9
147.11688	10.9
148.12039	5.3
149.04390	2.4
149.09668	2.2
149.13277	15.2
150.13576	6.5
151.04008	3.0
157.04927	10.7
157.10112	5.5
158.10503	2.5
159.11681	8.7
160.12027	5.6
161.04466	3.7
161.09660	3.0
161.13306	10.9
162.13596	9.7
163.03854	3.0
163.11237	3.3
163.14839	16.9
164.15208	6.4
167.07043	2.9
171.11635	3.5
173.13280	4.1
174.13631	3.8
175.14816	10.2
176.15158	7.8
177.12906	2.4
177.16383	23.7
178.13228	2.2
178.16743	17.9
180.14719	2.0
181.04953	4.6
181.12228	5.6
185.13295	2.8
187.14819	16.6
188.15155	11.6
189.16405	15.2
190.16754	13.6
191.17926	12.9
192.18343	8.0
193.04892	3.3
195.06628	4.0
197.61285	2.1
202.16774	4.0
203.14371	3.4
203.17973	8.5
204.14677	2.0
204.18257	8.1
205.15862	7.7
205.19527	4.0
206.16205	6.5
206.19901	2.7
211.06078	5.9
213.16431	2.9
217.15909	2.2
217.19490	4.4
218.19917	3.8
221.15385	2.3
229.07057	37.5
231.17555	3.0
232.17741	2.5
247.08112	19.6
265.09204	100.0
368.33841	2.9
378.32520	12.1
396.33405	21.6
413.34030	7.1
414.21201	3.1
414.29547	3.0
414.34537	41.3
415.21387	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
53.50763	2.6
55.01867	3.7
55.05497	4.2
56.05025	8.6
59.19990	3.0
60.04516	7.5
65.03930	8.1
67.05515	13.0
69.03436	6.0
70.06587	13.9
70.52547	10.6
72.08134	3.4
79.05479	6.1
83.04976	36.9
84.04505	35.3
84.08141	13.4
85.02901	10.8
85.15890	2.6
86.09706	8.7
89.03919	3.0
90.72411	2.4
91.05430	3.9
93.03410	14.9
95.04948	11.3
97.02927	2.9
98.20861	2.7
102.05517	5.6
103.05486	3.6
105.07037	3.9
107.04967	10.5
109.02854	3.7
111.04433	52.1
115.05426	2.8
117.03369	6.0
118.06516	2.6
120.08085	2.7
121.02863	7.7
121.06509	3.9
122.06000	2.9
123.04436	47.8
125.00021	4.7
126.05623	3.0
127.03918	27.2
129.05469	19.1
131.04944	11.3
133.02840	11.6
133.06540	4.1
134.06030	4.0
135.04384	18.0
136.06224	2.6
136.07516	3.0
139.03897	27.8
143.04887	4.8
145.02818	9.3
148.07597	13.3
149.05966	11.2
150.05525	5.9
150.09145	3.1
151.03893	11.9
152.07092	7.7
157.04932	17.6
158.06024	7.9
159.04422	6.8
160.07610	4.1
161.02318	4.7
161.05954	13.8
162.04128	4.9
162.05511	6.7
163.03899	100.0
164.04297	3.5
164.07079	5.9
165.07851	14.2
166.04991	4.6
166.08670	8.8
175.06033	11.1
176.07071	48.9
177.05424	18.4
178.04993	9.7
178.08597	18.4
179.03394	24.1
179.07013	2.9
180.06595	8.7
181.04843	5.0
186.05475	11.3
187.03915	11.2
187.10605	2.8
189.04193	3.2
194.08168	14.9
196.06168	3.5
197.04509	3.5
201.00664	8.2
202.01039	5.1
203.05690	3.0
204.06564	80.6
205.04977	18.6
205.06609	3.5
222.04083	3.2
222.07629	80.4
223.02406	4.0
223.06041	17.3
223.07909	2.9
240.08664	12.9
276.10806	13.3
325.09088	4.0
350.12357	6.6
353.08643	21.5
370.11212	3.5
378.11838	3.3
396.12872	64.1
397.11337	11.2
414.04965	12.2
414.13922	70.2
414.22781	6.9
419.14114	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	414.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.9
56.05026	6.8
56.96549	3.3
58.58591	3.2
60.04519	9.1
65.03949	6.6
67.05516	16.1
69.03417	8.7
70.06600	20.7
71.58485	3.5
72.08125	5.5
74.06080	4.9
79.05493	3.4
83.04982	31.2
83.29572	3.4
84.04504	35.1
84.08140	8.4
85.02902	13.5
86.09705	10.7
89.03902	6.7
91.05483	7.8
93.03381	14.1
95.04954	9.0
97.02831	3.4
102.05546	5.9
103.05440	4.7
105.07027	5.4
107.04954	11.7
109.02864	4.4
111.04456	42.8
115.05486	3.5
116.07093	7.9
117.03364	8.3
119.04967	5.5
120.08061	7.0
121.02847	7.2
123.04440	32.3
127.03925	14.8
129.05482	15.3
129.10271	5.2
131.04910	10.0
133.02843	13.8
133.25403	3.1
135.04448	19.5
136.06177	10.8
139.03899	16.1
142.05055	3.4
143.04871	3.8
145.02855	12.1
147.04428	20.9
148.07570	9.6
149.02371	4.4
149.05994	10.5
150.05524	5.0
150.09120	4.1
151.03915	12.5
152.07065	6.6
153.05368	3.1
155.08101	2.9
157.04964	13.5
158.05995	8.0
159.04428	7.0
161.05995	10.7
162.04112	7.2
162.05527	9.2
163.03905	100.0
164.04308	5.3
164.07013	7.4
165.07878	22.2
166.04874	3.7
166.08685	9.7
173.09285	4.9
175.06070	7.1
176.07095	36.9
177.05470	15.9
178.05017	5.1
178.08597	18.4
179.03430	20.7
180.06566	7.3
181.04979	4.0
186.05524	11.5
187.03934	9.8
189.47862	2.8
194.08134	11.3
201.00722	9.6
202.01035	5.4
204.06563	64.0
204.09622	2.8
205.04980	14.7
222.07611	55.9
223.05994	14.9
240.08682	8.3
276.10791	9.2
281.09686	3.5
282.10117	8.1
350.12476	3.5
353.08725	12.9
362.31879	3.2
368.13904	3.3
396.12912	46.0
397.11325	11.6
414.05438	6.5
414.13937	53.1
415.04041	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.05508	23.3
57.06825	3.4
57.07077	47.8
61.50114	2.6
65.03926	3.1
67.05165	3.9
67.05500	46.1
69.06725	3.1
69.07070	43.3
69.41525	4.6
69.41930	20.7
71.04980	10.8
71.08621	4.5
71.42670	2.4
75.29248	2.6
76.14851	2.5
79.05493	18.7
81.07051	100.0
82.07404	2.8
83.04972	4.6
83.08607	27.0
85.10155	3.0
91.05473	8.9
93.07037	38.3
95.08601	95.8
97.06574	3.7
97.10154	20.1
98.21440	5.9
99.08083	4.9
105.07020	26.0
107.08595	55.8
109.10150	90.8
111.11702	9.5
114.32600	2.7
117.06936	2.8
119.08597	20.2
121.10135	43.2
123.11699	40.3
125.09638	2.7
127.11181	28.3
133.10124	16.8
135.08095	4.1
135.11690	43.2
137.13242	18.5
139.53894	2.9
141.12788	3.6
145.10144	8.2
147.11667	19.0
149.13239	39.8
151.14803	7.4
153.12772	12.8
157.10248	2.9
159.11673	4.1
161.09622	2.6
161.13266	18.8
163.14848	19.6
163.17712	2.6
165.16463	4.8
167.14307	6.2
175.14857	10.7
177.16382	15.6
179.17934	2.7
183.11679	2.7
187.14757	3.5
189.16347	13.6
191.17952	9.9
201.16435	3.8
203.17957	11.1
205.19473	5.3
217.19485	10.3
231.21133	7.5
233.22807	4.7
235.20628	9.6
245.22617	12.3
247.24112	6.5
251.23775	4.1
259.24042	4.3
263.15659	2.9
263.23709	3.9
289.25385	3.5
303.26929	3.3
309.16055	3.2
317.28302	3.0
327.30716	3.6
331.29944	4.2
357.31589	3.8
359.33109	5.3
377.34134	43.9
395.36429	8.6
396.51041	2.9
413.16910	5.1
413.32300	92.5
413.37772	60.8
414.32614	10.2
414.37997	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	413.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.2
57.07078	25.6
67.05497	27.3
69.07063	17.9
69.46898	4.3
70.48869	17.8
71.08631	7.7
71.29198	4.2
79.05490	10.8
81.07055	36.5
83.08617	16.4
84.82520	5.1
93.07044	16.4
95.08602	43.8
96.86230	4.9
97.06562	6.6
97.10169	7.2
107.08559	11.3
109.10163	20.6
111.11694	4.8
119.08559	6.0
121.10155	8.3
123.11705	7.6
126.91537	4.6
135.11717	7.2
149.13319	7.6
151.14832	4.4
161.13351	6.5
175.04514	6.1
193.82266	5.1
278.90082	4.9
377.34064	28.7
383.13171	6.0
398.15161	6.3
413.18106	38.3
413.32431	100.0
413.37421	6.4
414.18304	8.3
414.32828	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	413.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01855	1.0
55.05513	33.0
57.03442	15.2
57.07077	33.0
57.49243	0.9
60.01155	0.9
61.02037	0.9
63.53222	0.9
67.05508	15.7
69.07069	48.0
70.26280	4.0
70.49760	1.0
71.05003	1.2
71.08634	24.8
74.64870	0.9
79.05492	6.4
81.07059	21.6
81.45542	0.9
83.04985	2.9
83.08620	34.4
85.06548	1.4
85.10184	13.0
91.05487	1.5
93.07040	12.3
95.04983	1.6
95.08605	24.3
95.96202	1.0
97.06535	6.7
97.10179	24.8
99.08113	1.1
99.11766	1.6
105.07039	1.4
107.08603	10.0
109.10155	10.8
111.08076	4.8
111.11716	5.4
119.08588	1.3
121.10163	9.8
123.11684	5.0
125.09631	5.0
125.13287	2.3
125.86743	1.0
129.09128	2.7
135.11703	8.4
137.13292	1.4
139.11140	4.6
149.13232	5.3
151.14900	1.3
153.12766	4.2
157.12344	1.7
163.14871	3.4
167.14334	3.4
171.13878	1.7
177.16496	2.0
181.15930	2.5
189.16475	0.9
191.18034	2.0
195.17465	1.2
205.19620	1.8
209.19043	2.1
223.20619	1.0
237.22404	1.1
240.33571	1.1
246.54160	1.0
279.26862	1.1
303.30493	4.6
307.26346	1.4
321.31577	13.2
343.28101	1.7
357.30026	2.6
395.35217	12.9
413.16278	1.6
413.36346	100.0
414.36816	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	413.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15469	4.0
55.01877	5.0
55.05510	46.0
57.07067	16.4
58.15867	4.5
67.05497	26.3
69.06718	8.0
69.07066	100.0
69.07417	9.8
71.04984	29.6
71.08643	8.7
71.59707	8.0
79.05491	17.9
81.07058	44.6
83.04976	42.8
83.08617	21.0
83.35554	4.7
85.10188	6.6
91.05473	17.4
93.07038	49.8
95.04967	10.9
95.08602	27.4
97.06530	56.8
97.10188	15.4
105.07020	20.2
107.08596	42.2
109.06506	11.8
109.10154	50.8
111.08099	30.5
119.08551	6.2
121.10123	25.3
121.28055	5.1
123.08083	4.7
123.11715	22.3
125.09627	6.2
133.10162	24.8
135.11717	16.5
139.11209	7.2
145.10144	5.5
149.13275	7.8
151.11192	29.3
171.11638	6.2
191.17960	27.1
209.18996	40.8
227.20029	30.5
413.16898	5.2
414.32190	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	413.2323
Annotation	Pallidone J
Peak:m/z	Relative Intensity
52.60625	4.0
53.03943	4.4
55.05516	41.0
56.96574	11.2
57.07081	9.5
67.05502	34.6
68.99808	5.5
69.07072	49.6
70.20535	21.3
79.05499	26.4
81.07059	68.2
81.67038	4.2
83.04984	41.1
83.08615	9.9
91.05477	41.6
92.92412	4.2
93.07048	55.0
95.05001	9.8
95.08605	82.1
97.06543	6.5
97.10183	9.8
103.05450	4.8
105.07030	76.9
106.07343	4.5
107.04959	10.5
107.08605	66.5
109.06541	11.2
109.10153	63.0
117.07035	11.7
118.04115	5.2
119.05030	6.5
119.08578	64.7
120.08903	4.8
121.02869	12.3
121.06519	7.0
121.10139	65.2
123.08038	25.8
123.11708	39.4
131.08563	17.5
133.06474	34.8
133.10130	46.2
135.08061	10.9
135.11696	18.8
137.05991	11.6
145.06514	14.3
145.10152	18.3
147.04297	6.2
147.08029	5.1
147.11685	100.0
149.02348	16.4
149.06009	6.8
149.09628	4.6
149.13246	18.9
150.03165	14.8
152.19106	5.0
153.05467	21.9
157.10083	7.9
159.08035	5.1
159.11723	15.7
161.06004	26.2
161.13240	14.2
163.03909	14.7
163.11218	8.2
163.14815	13.2
165.05464	22.1
167.07008	13.0
173.06018	14.5
173.09703	6.4
173.13237	5.5
175.03777	5.0
175.07588	8.4
175.11143	7.7
175.14842	9.3
177.01855	39.6
177.05499	32.5
177.16400	55.5
178.02620	19.5
178.06271	5.6
179.07056	13.6
183.08032	9.3
183.11778	4.5
187.07561	9.4
187.11124	7.1
188.04660	6.9
189.05434	9.4
189.16432	11.9
191.07079	20.9
191.18005	8.3
193.04962	80.8
195.06516	16.0
195.08156	8.3
197.09653	12.9
199.14853	6.3
201.09155	4.5
201.16370	24.2
202.06213	5.8
203.07063	65.7
203.17975	68.0
205.08604	10.0
205.15953	9.1
205.19534	18.4
207.06555	7.7
207.17448	60.6
209.04440	27.4
209.09602	7.5
211.07623	12.5
215.07028	6.4
217.05089	5.1
217.08667	15.0
219.06573	5.0
223.05922	22.2
223.11208	14.4
225.09087	11.5
227.07101	8.3
227.10719	4.5
229.08650	17.4
239.10718	5.3
241.08717	8.5
241.12144	5.8
243.10228	12.1
245.37428	4.1
247.06000	32.8
251.10696	10.1
253.12172	5.6
255.10091	8.5
255.13805	9.4
257.08069	6.0
257.11584	6.0
261.07593	22.7
264.15170	4.5
265.12262	8.7
269.11755	8.3
271.09680	7.5
279.13666	5.4
283.13232	11.7
292.14606	5.7
293.15112	6.3
307.20462	5.3
311.16263	10.1
313.18008	5.7
335.20099	16.8
339.15994	5.3
339.23001	5.0
349.21567	13.1
351.23639	6.2
353.21112	42.0
354.21793	5.4
367.22696	64.4
368.23239	8.1
377.21112	14.4
381.12460	4.8
381.20932	5.9
395.22168	92.7
396.22192	5.4
408.17725	12.8
413.15045	4.9
413.17679	7.6
413.23135	95.7
414.24487	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	413.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.6
54.49745	1.1
55.51284	1.1
67.05492	1.6
69.03419	1.7
71.59187	1.5
71.59595	1.3
77.80836	1.2
78.04710	3.7
79.05491	10.6
81.07043	1.8
91.05473	3.1
93.07028	1.6
95.04969	4.6
96.48181	1.4
103.05474	5.9
105.07034	6.0
106.04188	3.1
107.04963	24.7
109.06506	1.7
115.05453	2.0
118.04176	4.4
119.04919	1.6
119.08609	1.6
119.72789	1.5
123.04440	7.5
124.05209	5.0
125.05994	2.2
128.06261	3.0
130.04181	2.5
131.04930	11.3
132.05743	2.0
133.06474	4.9
133.10207	1.8
135.04410	2.1
137.05974	2.7
145.06476	1.8
147.04439	1.5
147.08086	1.3
151.03889	2.9
152.04697	2.5
156.05771	1.5
159.07999	1.9
160.05171	1.5
161.05966	6.6
161.13263	2.5
167.07053	100.0
168.07370	3.4
171.08017	3.2
173.09479	1.6
176.04692	4.8
184.05217	5.0
187.07552	2.2
189.07008	2.3
190.07793	5.6
191.07042	36.1
191.08624	2.9
192.07491	1.5
194.54745	1.5
199.07533	31.6
202.07771	2.8
203.08588	7.0
204.09293	1.9
205.06731	1.4
205.10176	2.2
207.08115	2.7
215.08598	7.2
218.07307	7.6
219.08028	6.1
231.08049	6.6
232.08853	4.7
233.09645	19.0
235.07541	5.8
243.08075	3.8
246.06859	6.4
247.07529	4.7
249.09090	2.7
250.09888	1.8
259.07632	4.1
260.08377	5.8
261.09116	23.0
262.09772	3.4
263.07074	5.8
265.12134	2.0
271.07571	1.4
273.09064	2.3
274.06339	4.8
275.06967	4.1
275.10565	2.1
276.07809	2.3
277.08545	3.9
278.09271	7.6
279.10162	1.9
288.07565	2.0
289.08603	34.3
290.09305	9.8
291.06931	1.6
291.10226	3.8
293.11768	11.6
295.09576	1.9
305.07938	1.5
306.08881	7.9
307.09567	5.6
321.11227	69.7
322.11838	9.8
323.09119	2.3
325.14392	4.5
353.13821	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	413.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07359	1.8
55.01860	2.5
55.05502	2.8
67.05486	7.8
69.03410	2.2
69.07041	3.6
71.35190	2.2
71.35516	2.7
78.04703	2.5
79.05499	14.8
81.03403	1.7
81.07059	8.9
85.07666	11.8
91.05476	9.6
93.07045	5.9
95.04972	5.0
95.08610	11.8
97.02887	1.9
103.05459	6.9
105.07022	8.1
107.04952	22.4
107.08585	8.1
109.10136	7.0
115.05453	2.5
118.04131	2.6
119.08579	6.8
121.06500	1.9
121.10112	5.7
123.04414	6.5
123.11722	2.7
124.05190	5.7
125.05999	3.0
127.03967	1.9
128.06245	4.2
129.06935	2.8
131.04924	10.4
131.08597	3.3
132.05734	3.0
132.27052	1.8
133.06517	3.6
133.10123	6.5
135.11705	3.0
137.05952	3.4
141.06911	2.7
143.08563	2.1
145.10100	2.5
147.04373	3.5
147.11694	4.2
149.13266	4.4
152.04660	3.7
156.05685	2.2
157.82875	1.9
159.08012	2.2
159.11751	2.6
161.05954	6.9
161.13210	3.4
163.03891	9.1
163.11263	2.5
164.04207	4.2
165.04416	3.4
167.07039	100.0
168.07333	3.0
171.11728	2.8
173.13240	2.2
175.14796	3.4
176.04755	5.0
177.16345	2.5
184.05235	6.2
185.09566	2.0
187.14767	2.6
189.06993	2.9
189.16508	3.3
190.07816	6.0
191.07027	36.5
191.08539	2.1
199.07539	32.2
200.08098	2.1
202.07735	3.9
203.08565	6.7
203.17973	2.2
204.09352	2.0
205.06427	2.7
205.10078	2.2
215.08612	6.1
218.07210	12.1
219.08041	5.4
229.06441	3.4
231.08043	5.4
232.08818	5.2
233.09610	23.9
235.07463	7.0
243.08043	2.5
245.09613	2.0
246.06694	6.5
247.07594	7.3
249.08986	5.9
250.09763	4.7
258.06699	1.9
259.07596	2.2
260.08246	5.1
261.09100	27.6
262.09647	3.5
263.07013	6.4
271.07199	1.9
274.06284	3.9
275.06961	7.7
275.10721	2.4
276.07971	2.6
277.08618	2.9
278.09460	9.1
287.80026	2.2
288.07828	3.3
289.08600	40.6
290.09186	12.3
291.06647	4.5
291.09906	3.7
293.11676	9.4
293.18332	2.3
306.08853	8.3
307.09631	6.2
321.11206	73.0
322.11804	10.9
325.14389	4.0
338.11435	2.9
339.12180	2.9
353.13864	31.3
413.16287	3.3
413.30490	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	413.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07359	1.8
55.01860	2.5
55.05502	2.8
67.05486	7.8
69.03410	2.2
69.07041	3.6
71.35190	2.2
71.35516	2.7
78.04703	2.5
79.05499	14.8
81.03403	1.7
81.07059	8.9
85.07666	11.8
91.05476	9.6
93.07045	5.9
95.04972	5.0
95.08610	11.8
97.02887	1.9
103.05459	6.9
105.07022	8.1
107.04952	22.4
107.08585	8.1
109.10136	7.0
115.05453	2.5
118.04131	2.6
119.08579	6.8
121.06500	1.9
121.10112	5.7
123.04414	6.5
123.11722	2.7
124.05190	5.7
125.05999	3.0
127.03967	1.9
128.06245	4.2
129.06935	2.8
131.04924	10.4
131.08597	3.3
132.05734	3.0
132.27052	1.8
133.06517	3.6
133.10123	6.5
135.11705	3.0
137.05952	3.4
141.06911	2.7
143.08563	2.1
145.10100	2.5
147.04373	3.5
147.11694	4.2
149.13266	4.4
152.04660	3.7
156.05685	2.2
157.82875	1.9
159.08012	2.2
159.11751	2.6
161.05954	6.9
161.13210	3.4
163.03891	9.1
163.11263	2.5
164.04207	4.2
165.04416	3.4
167.07039	100.0
168.07333	3.0
171.11728	2.8
173.13240	2.2
175.14796	3.4
176.04755	5.0
177.16345	2.5
184.05235	6.2
185.09566	2.0
187.14767	2.6
189.06993	2.9
189.16508	3.3
190.07816	6.0
191.07027	36.5
191.08539	2.1
199.07539	32.2
200.08098	2.1
202.07735	3.9
203.08565	6.7
203.17973	2.2
204.09352	2.0
205.06427	2.7
205.10078	2.2
215.08612	6.1
218.07210	12.1
219.08041	5.4
229.06441	3.4
231.08043	5.4
232.08818	5.2
233.09610	23.9
235.07463	7.0
243.08043	2.5
245.09613	2.0
246.06694	6.5
247.07594	7.3
249.08986	5.9
250.09763	4.7
258.06699	1.9
259.07596	2.2
260.08246	5.1
261.09100	27.6
262.09647	3.5
263.07013	6.4
271.07199	1.9
274.06284	3.9
275.06961	7.7
275.10721	2.4
276.07971	2.6
277.08618	2.9
278.09460	9.1
287.80026	2.2
288.07828	3.3
289.08600	40.6
290.09186	12.3
291.06647	4.5
291.09906	3.7
293.11676	9.4
293.18332	2.3
306.08853	8.3
307.09631	6.2
321.11206	73.0
322.11804	10.9
325.14389	4.0
338.11435	2.9
339.12180	2.9
353.13864	31.3
413.16287	3.3
413.30490	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	413.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14914	0.9
55.01861	2.2
62.20628	0.9
65.03925	1.0
69.70994	5.6
79.05473	1.1
81.03455	0.8
81.07024	1.3
91.05470	4.8
93.07029	0.9
95.02751	0.7
95.04935	0.8
103.05424	1.4
104.06302	0.8
105.07028	2.2
107.04938	4.9
108.05744	2.5
109.10070	0.7
115.05442	3.9
117.07013	1.1
119.08585	2.2
121.06535	1.4
122.03622	0.9
123.12489	0.9
128.06218	1.2
129.07033	1.2
130.04146	1.2
131.04953	2.9
132.05722	2.7
133.06497	1.7
135.04416	1.5
135.08075	0.9
136.05165	6.6
137.05981	2.7
144.05704	2.7
145.06494	3.0
146.03612	1.0
147.04405	1.4
147.08090	1.4
151.07532	51.6
152.07883	1.8
155.04916	8.1
160.05180	11.1
161.05920	6.1
163.07510	2.9
165.05475	1.9
170.91371	0.8
171.04178	1.3
172.05153	2.7
173.05954	1.0
175.07542	20.9
176.08200	1.5
177.05457	1.5
177.09041	0.9
179.07040	3.8
180.28502	0.8
183.04445	4.5
187.07541	5.8
191.08574	1.4
193.10306	1.0
200.04692	2.4
201.01016	0.8
202.07770	1.3
203.08583	2.2
207.08073	1.7
212.19572	0.8
215.06976	15.3
215.08585	1.3
217.06534	1.2
217.54184	0.8
218.07297	2.5
219.08093	5.9
220.08810	1.6
221.09630	2.2
223.07436	1.3
229.06447	1.6
230.07216	1.5
231.08032	6.0
232.08791	2.7
233.09471	4.7
234.06720	1.4
234.10272	1.2
235.07529	3.3
236.08194	1.3
243.08089	3.5
245.05923	2.1
245.09598	2.0
246.06795	2.9
247.07584	5.4
248.08295	2.7
249.09131	4.9
250.09845	1.5
251.07176	1.1
251.10693	2.8
257.06036	1.2
258.06622	1.6
259.07507	5.5
260.08255	4.0
261.09125	11.6
262.06100	1.1
262.09796	3.3
263.06946	3.5
263.10580	2.3
264.07614	1.6
265.12161	1.3
267.10168	1.3
271.07446	1.5
272.08295	3.9
273.05814	1.6
273.09052	17.0
274.06314	1.6
274.09622	2.1
275.07193	1.1
275.10660	5.1
276.07791	2.6
276.11301	1.8
277.08618	7.1
278.09274	3.9
279.06818	1.7
279.10132	5.7
286.09689	1.3
287.07187	1.3
288.07825	3.6
289.08545	17.6
290.09308	4.7
291.06857	1.3
291.10056	7.9
292.10794	4.1
293.11533	3.8
294.08871	2.1
294.12466	2.9
295.09714	1.8
303.10126	15.4
304.10904	39.5
305.07999	5.6
305.11591	9.7
306.08658	1.5
306.12094	1.2
307.09637	3.1
307.13135	1.6
309.11203	6.3
319.09579	2.4
320.10431	9.9
321.11108	4.3
322.11945	12.0
335.12759	100.0
336.13083	6.6
338.11346	1.5
353.13821	21.8
413.23065	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24564	2.4
53.03941	3.8
54.12993	2.5
55.05503	7.0
56.96558	3.1
67.05499	4.5
69.03424	6.4
69.07059	5.9
69.45245	2.9
70.06596	21.5
71.05008	14.5
72.08154	6.2
79.05484	11.3
81.07071	15.6
83.04963	4.7
84.04491	3.4
84.08141	5.6
85.02898	10.6
85.06546	8.7
86.06862	4.9
86.09718	8.0
86.32492	2.8
88.80154	3.0
91.05477	11.3
93.07050	86.7
95.04946	4.5
95.08595	4.4
97.06522	11.4
98.97559	3.3
100.83834	2.9
105.01884	3.4
105.07032	5.8
107.08593	42.5
116.07088	6.5
116.98621	4.5
117.03449	3.3
127.03925	9.2
129.10237	3.2
135.11707	100.0
136.06216	7.1
145.02887	4.2
147.04402	7.1
153.12750	66.7
163.03897	11.6
177.05455	6.2
201.00613	3.3
202.11594	5.9
213.12315	13.3
233.09334	19.4
251.10379	13.2
269.07196	2.7
269.10226	4.3
285.07910	3.8
286.62866	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	413.1572
Annotation	Viscosol
Peak:m/z	Relative Intensity
50.40298	1.6
53.03970	2.3
53.64474	1.9
55.05507	5.7
56.96552	2.4
59.05005	1.9
67.05518	2.8
69.03408	6.1
69.07060	2.2
70.06583	7.5
71.04994	12.2
71.15163	4.3
73.02911	2.2
79.05495	6.9
81.03394	1.9
81.07061	11.0
83.04983	2.5
83.08614	3.6
84.08160	2.1
85.02904	10.2
86.09702	2.1
87.04471	2.7
91.05489	12.4
93.07044	84.1
94.07329	2.2
95.04984	4.5
95.08607	3.2
96.13724	1.9
97.02889	4.9
97.06525	14.9
98.97615	3.7
105.07043	4.5
107.08601	47.3
109.06497	3.3
109.10156	4.6
115.03874	1.9
116.98631	2.5
119.08611	3.1
121.06485	6.3
123.11727	5.4
127.03931	4.4
133.10088	3.5
135.11699	100.0
136.06197	6.0
136.11983	2.4
137.09592	2.0
145.04941	2.9
147.04416	5.2
148.18839	1.8
153.12759	63.1
154.13072	2.6
161.05891	2.2
163.03891	4.9
166.04887	2.0
177.05453	3.6
180.39986	1.7
190.08640	3.0
213.12340	2.2
219.01772	2.7
233.09387	16.2
233.15414	2.2
237.02725	2.2
251.10501	19.1
269.25409	2.2
312.95679	1.8
360.09769	2.3
413.14474	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	413.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12278	1.6
55.05510	4.7
56.05051	1.9
56.24586	1.5
56.64337	1.5
57.07066	2.3
61.09835	1.7
65.03936	2.0
67.05502	5.0
69.03421	4.9
69.07065	4.7
69.86822	11.3
70.06584	15.6
71.04982	12.4
72.08147	2.2
79.05490	7.0
81.03419	2.6
81.07054	12.0
83.08615	1.7
84.04474	2.1
84.08142	4.1
85.02902	6.3
85.06557	1.7
86.09698	3.8
91.05467	12.9
93.07040	91.1
94.07394	2.6
95.04973	3.0
95.08585	3.7
97.02878	3.0
97.06524	23.1
105.07057	5.6
107.08586	45.2
108.08888	2.4
109.02891	2.5
109.06549	3.3
109.10171	3.9
110.07173	3.6
115.05740	1.8
116.07074	3.0
116.98671	2.0
119.01910	2.5
119.08568	4.0
123.11700	3.5
127.03906	3.9
128.69933	1.7
135.11688	100.0
136.06210	4.1
136.07556	1.8
143.01913	4.7
145.02760	1.9
147.04381	3.3
153.12743	68.1
161.02985	15.5
162.04134	2.4
163.03931	3.4
173.04646	2.3
191.88260	1.7
198.54927	1.6
203.03978	5.4
213.12292	2.9
233.09377	24.2
251.10451	27.2
260.69260	2.1
281.09998	2.2
296.13089	1.5
394.86478	2.2
413.05124	2.3
413.16388	10.0
413.22849	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01859	3.1
55.05510	9.1
56.96574	4.4
57.03444	3.7
65.65010	2.7
67.05491	3.2
68.83264	2.6
69.03416	11.7
69.07052	5.8
70.06580	11.2
71.04992	10.9
71.05368	5.9
79.05495	5.1
81.07054	5.4
83.04962	5.5
83.08617	7.5
84.08138	3.6
85.02901	20.9
86.09712	2.7
91.05467	13.7
93.07044	84.3
95.04975	6.0
95.08607	4.1
97.02884	7.3
97.06531	10.2
98.97577	7.2
101.09648	8.3
105.07040	6.9
107.04960	4.5
107.08607	44.8
109.06503	4.6
111.04407	3.8
115.03981	5.8
116.98620	5.0
119.04939	3.4
119.76124	3.2
120.05582	9.3
120.06585	7.9
124.07574	3.7
127.03912	7.9
135.11713	73.7
136.06184	100.0
136.98999	2.8
145.04919	5.3
147.04393	10.5
153.12766	24.0
162.04126	65.7
163.03954	8.0
177.00600	4.2
177.05493	6.8
182.99748	4.4
189.00655	3.7
201.00693	17.6
219.01758	7.7
233.09404	15.0
233.15479	3.5
237.02658	4.2
251.10391	13.4
258.21124	3.2
281.09952	56.6
413.04553	8.1
413.13931	10.4
413.23431	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	413.1416
Annotation	t(6)a
Peak:m/z	Relative Intensity
54.59528	0.4
55.05512	1.1
56.05037	0.7
56.96580	0.8
57.07061	0.6
67.05499	0.7
69.03418	0.5
69.07059	0.8
69.88956	2.9
70.06590	3.8
71.04999	1.2
72.08150	0.7
74.06078	2.9
79.05490	1.3
81.07037	1.6
83.06089	0.5
84.08148	1.1
85.02906	1.9
86.09704	1.3
91.05476	2.5
91.92063	0.4
93.07047	10.8
95.04973	1.0
95.08593	0.9
97.02879	0.8
97.06531	2.3
98.97587	0.7
102.05532	1.5
105.07024	1.1
107.08591	6.6
109.10108	0.6
110.07182	0.6
116.07051	0.8
119.01920	0.6
119.03532	2.3
119.04893	0.6
119.08548	0.5
120.06579	8.8
121.28897	0.4
123.11702	1.1
124.12035	0.5
127.03871	1.0
135.04492	0.5
135.11693	12.9
136.06184	100.0
137.04581	2.0
143.01971	0.6
147.04448	0.5
153.12741	7.1
161.02963	1.6
162.04112	65.5
163.03860	1.2
164.69778	0.4
167.07030	0.5
199.10739	0.5
201.00700	0.7
203.04045	0.9
213.12390	1.3
216.07112	0.5
233.09340	3.0
251.10391	2.6
268.10431	1.4
269.07248	0.5
281.09927	66.1
282.09735	0.6
316.18671	0.5
393.97943	0.5
407.27371	0.6
413.15579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1211
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
51.11622	5.0
55.01849	4.5
55.05511	4.8
61.02919	5.0
65.34737	4.0
67.05498	5.7
69.03440	14.5
70.06578	13.6
70.79702	17.1
71.04981	5.3
72.08150	4.8
73.02895	6.5
81.03408	6.7
81.07024	7.0
83.04987	6.5
85.02896	21.0
85.06563	6.4
86.09720	4.4
91.05465	17.6
93.07044	11.3
95.08640	5.1
97.02901	15.4
97.06550	5.1
98.97578	9.3
105.07033	7.5
107.08586	10.9
109.02857	5.6
109.06537	4.3
111.04469	6.6
116.98637	11.6
119.04917	9.5
120.08115	5.0
123.08018	6.9
127.03901	10.4
128.98651	6.1
131.08633	5.9
133.10152	7.7
146.99643	9.6
147.04440	31.1
148.07603	9.5
163.03932	7.2
163.84517	4.7
177.05453	6.5
178.95001	4.6
186.05469	10.5
189.47386	5.5
213.12267	6.4
215.14233	7.0
233.15385	9.5
237.02811	20.8
255.70805	5.0
282.39679	4.3
311.11475	5.3
413.11935	100.0
413.17175	25.7
413.22302	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	413.0481
Annotation	OREGON GREEN 488 CARBOXYLATE
Peak:m/z	Relative Intensity
60.24520	2.2
70.83963	4.0
70.84355	4.3
72.12141	1.7
132.28510	1.8
189.40195	2.1
270.97897	1.8
369.05634	10.1
413.04819	100.0
414.05078	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	413.049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86382	1.0
55.05507	2.1
56.96562	4.7
68.50247	1.1
68.73615	1.2
70.07256	5.8
83.08610	3.7
85.02901	2.5
85.92028	1.0
93.07042	3.9
95.04961	1.4
98.97583	5.2
101.09660	2.4
107.04964	1.8
107.08572	1.7
109.02883	1.9
116.98634	5.4
119.10687	1.2
127.03928	9.0
131.04953	1.7
134.70488	1.1
134.99666	3.3
135.11700	3.6
147.04414	3.3
153.00822	1.1
161.01256	4.1
164.98663	5.3
177.00699	2.4
179.02171	1.7
182.99655	33.9
186.05556	5.7
201.00719	100.0
202.00981	1.5
219.01779	25.7
224.02319	4.2
225.00670	2.1
237.02805	2.5
243.01822	4.5
249.00893	2.0
258.59503	1.1
261.02948	2.0
267.01843	2.9
269.03207	1.8
309.02881	4.3
327.03912	28.7
345.04977	17.5
351.03876	9.4
368.06451	2.8
369.05658	12.4
413.04810	95.0
414.05338	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.048
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48738	1.2
70.84109	3.4
70.84484	1.3
77.53688	1.3
88.19158	1.0
97.09166	1.1
156.04161	1.9
164.99554	2.0
166.64720	1.1
201.00706	4.2
369.05826	11.5
413.04807	100.0
414.05222	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10632	1.4
50.19600	1.5
54.19663	1.3
54.51196	1.2
55.01858	2.8
55.05503	4.2
56.96571	2.4
57.03439	19.4
59.04995	3.8
60.04503	1.6
61.02936	6.6
67.05522	1.3
69.03430	71.1
69.47591	9.3
69.47994	2.9
70.06567	1.3
73.02909	4.4
74.06081	2.5
75.04469	1.5
81.03413	3.9
81.07033	1.7
83.08617	7.7
84.04531	1.4
84.08939	1.7
85.02907	100.0
87.04472	45.1
91.03966	3.9
91.05486	1.7
93.07021	2.3
95.04960	8.8
96.79163	1.5
97.02892	67.8
97.06501	1.7
98.21426	3.3
98.97597	3.3
99.04479	4.2
103.03920	1.8
103.68168	1.3
105.07052	1.8
109.02888	6.5
109.06475	2.2
115.03931	77.8
116.98660	2.0
119.04969	2.1
120.08068	3.6
120.83044	1.4
121.10144	2.2
127.03925	27.1
131.08580	1.4
133.04965	99.3
133.10155	2.1
145.04956	46.7
147.04385	7.7
147.11707	2.9
148.04787	2.7
150.07608	8.0
153.08951	1.4
163.06027	25.9
169.04955	2.6
175.06024	1.5
177.05452	2.6
181.07025	1.4
194.54214	1.5
212.90764	1.4
219.01820	1.7
223.23085	1.5
233.13795	3.3
241.07291	1.7
250.18021	2.1
259.08139	6.4
263.14865	12.5
277.09204	6.2
291.04150	1.8
294.98804	1.5
295.10229	6.6
302.30453	1.7
319.10403	1.9
371.99301	1.6
412.19717	9.2
413.17468	4.2
413.21567	5.6
433.13910	3.7
434.14240	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.9
55.05526	5.4
56.96557	1.1
57.03434	17.0
59.04988	1.9
61.02925	15.5
67.05497	2.2
69.03081	2.0
69.03432	32.4
69.07057	2.1
69.45419	10.2
70.06580	1.6
71.01350	3.3
71.05024	5.1
73.02923	77.6
81.03427	8.3
81.07059	1.4
83.04995	1.4
83.08612	6.3
85.02909	100.0
86.09694	1.9
87.04471	5.3
91.03987	5.0
91.05490	6.0
93.07043	1.7
95.04972	2.6
95.08604	1.6
97.02898	60.2
97.06523	1.6
98.97572	1.7
99.04453	4.4
101.02395	1.1
101.09644	1.7
103.03947	3.6
104.10752	1.9
105.01877	1.6
105.07027	2.1
107.08561	1.3
109.02880	8.7
109.10167	1.2
111.04445	1.3
111.08107	2.7
113.09708	1.4
115.03937	30.0
121.06528	1.5
127.03922	33.0
129.09123	1.7
133.03999	2.3
133.04973	35.6
133.10016	1.1
135.08080	1.3
139.07524	3.4
141.09030	1.7
145.04965	52.5
145.10202	1.3
150.07629	4.7
151.07486	1.3
155.10709	2.1
163.03951	1.9
163.06027	24.4
164.07065	1.1
177.05498	2.2
179.10678	1.4
180.08641	1.4
184.07430	2.9
186.89050	1.1
193.04982	2.1
197.11719	3.2
199.05951	1.9
209.11711	1.8
211.06099	1.6
215.12766	3.9
217.07141	4.2
223.06020	7.8
227.12784	2.2
233.13742	2.4
237.02890	1.3
241.07013	8.2
245.13861	4.0
247.08412	1.1
249.02812	1.5
259.08127	12.4
263.14825	7.5
277.08987	2.4
278.17740	1.2
295.10254	4.7
321.64664	1.2
323.95856	1.3
327.03952	1.7
343.07806	1.0
362.34219	1.2
412.20419	9.3
413.16757	7.7
413.21521	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	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32728	2.3
53.03956	2.9
55.01862	2.3
55.05515	3.6
55.58038	1.8
56.10162	1.9
56.96573	2.1
57.03436	23.6
59.05004	6.3
60.04519	2.2
61.02912	4.0
67.05511	2.6
69.03426	91.5
69.07056	4.4
70.06593	3.5
71.05000	4.4
71.31709	2.4
71.32056	3.2
73.02917	4.9
75.04468	4.7
78.99919	1.8
79.05486	2.5
81.03426	10.3
81.07042	5.6
83.04981	2.3
83.08603	5.0
85.02902	92.4
86.09702	8.5
86.20941	1.8
87.00845	4.3
87.04466	60.5
91.03944	3.1
91.05487	4.9
93.07034	4.2
95.08550	2.5
97.02892	72.5
99.04462	5.9
104.10725	11.2
105.01882	6.0
107.04957	5.0
107.08595	4.5
109.02834	9.5
109.10157	3.2
115.03928	83.2
115.14735	1.9
117.03353	2.6
120.08121	2.3
121.06508	1.9
123.08045	2.0
125.00004	2.4
127.03909	26.1
128.84842	1.8
129.12730	4.7
133.04958	100.0
135.04405	6.9
135.11708	1.9
136.04778	4.6
145.02896	2.3
145.04958	33.0
150.07610	16.0
151.11147	2.4
152.05663	6.0
163.03903	34.4
163.05933	12.4
164.04219	23.9
167.10623	4.0
169.04979	2.6
179.10619	2.6
184.07318	12.8
185.97313	1.9
197.11781	4.2
216.72186	2.1
223.06084	2.1
231.05032	3.5
241.07126	3.4
245.13759	2.8
259.08234	4.3
263.15048	4.1
277.09015	1.9
288.44113	1.9
295.10165	3.2
412.20279	6.2
413.17459	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	412.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.9
55.05526	5.4
56.96557	1.1
57.03434	17.0
59.04988	1.9
61.02925	15.5
67.05497	2.2
69.03081	2.0
69.03432	32.4
69.07057	2.1
69.45419	10.2
70.06580	1.6
71.01350	3.3
71.05024	5.1
73.02923	77.6
81.03427	8.3
81.07059	1.4
83.04995	1.4
83.08612	6.3
85.02909	100.0
86.09694	1.9
87.04471	5.3
91.03987	5.0
91.05490	6.0
93.07043	1.7
95.04972	2.6
95.08604	1.6
97.02898	60.2
97.06523	1.6
98.97572	1.7
99.04453	4.4
101.02395	1.1
101.09644	1.7
103.03947	3.6
104.10752	1.9
105.01877	1.6
105.07027	2.1
107.08561	1.3
109.02880	8.7
109.10167	1.2
111.04445	1.3
111.08107	2.7
113.09708	1.4
115.03937	30.0
121.06528	1.5
127.03922	33.0
129.09123	1.7
133.03999	2.3
133.04973	35.6
133.10016	1.1
135.08080	1.3
139.07524	3.4
141.09030	1.7
145.04965	52.5
145.10202	1.3
150.07629	4.7
151.07486	1.3
155.10709	2.1
163.03951	1.9
163.06027	24.4
164.07065	1.1
177.05498	2.2
179.10678	1.4
180.08641	1.4
184.07430	2.9
186.89050	1.1
193.04982	2.1
197.11719	3.2
199.05951	1.9
209.11711	1.8
211.06099	1.6
215.12766	3.9
217.07141	4.2
223.06020	7.8
227.12784	2.2
233.13742	2.4
237.02890	1.3
241.07013	8.2
245.13861	4.0
247.08412	1.1
249.02812	1.5
259.08127	12.4
263.14825	7.5
277.08987	2.4
278.17740	1.2
295.10254	4.7
321.64664	1.2
323.95856	1.3
327.03952	1.7
343.07806	1.0
362.34219	1.2
412.20419	9.3
413.16757	7.7
413.21521	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	411.3622
Annotation	7-Dehydrofucosterol
Peak:m/z	Relative Intensity
55.05513	6.5
57.07068	8.8
67.05487	4.7
69.07052	9.7
71.08630	3.3
71.25396	5.5
79.05495	4.9
81.07054	12.1
83.08612	7.6
84.89405	2.2
91.05468	7.2
93.07042	5.4
95.08601	13.9
97.10155	3.1
105.07016	7.2
107.08586	17.0
109.10158	8.4
119.08569	8.7
121.10136	5.9
123.11694	3.0
131.08568	10.6
133.10159	9.0
135.11737	3.3
143.08586	5.1
144.07846	2.6
145.10123	18.3
147.11685	7.2
149.13213	3.1
157.10106	3.1
159.11714	16.4
161.13229	5.9
171.11607	3.2
173.13277	5.5
185.13216	9.1
187.14801	16.8
189.16440	3.1
197.13297	4.4
199.14839	12.5
201.16405	10.9
211.14828	2.6
213.16360	6.7
215.17912	5.4
225.16342	3.1
227.17982	4.3
239.18007	6.2
243.17401	2.9
253.19582	9.1
257.19046	7.1
271.20605	3.5
281.22766	5.0
285.25879	3.2
295.24216	17.6
309.25888	11.3
313.25275	25.1
327.26898	8.4
347.48343	2.6
393.35287	13.7
411.30634	4.8
411.36221	100.0
412.36591	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10632	1.4
50.19600	1.5
54.19663	1.3
54.51196	1.2
55.01858	2.8
55.05503	4.2
56.96571	2.4
57.03439	19.4
59.04995	3.8
60.04503	1.6
61.02936	6.6
67.05522	1.3
69.03430	71.1
69.47591	9.3
69.47994	2.9
70.06567	1.3
73.02909	4.4
74.06081	2.5
75.04469	1.5
81.03413	3.9
81.07033	1.7
83.08617	7.7
84.04531	1.4
84.08939	1.7
85.02907	100.0
87.04472	45.1
91.03966	3.9
91.05486	1.7
93.07021	2.3
95.04960	8.8
96.79163	1.5
97.02892	67.8
97.06501	1.7
98.21426	3.3
98.97597	3.3
99.04479	4.2
103.03920	1.8
103.68168	1.3
105.07052	1.8
109.02888	6.5
109.06475	2.2
115.03931	77.8
116.98660	2.0
119.04969	2.1
120.08068	3.6
120.83044	1.4
121.10144	2.2
127.03925	27.1
131.08580	1.4
133.04965	99.3
133.10155	2.1
145.04956	46.7
147.04385	7.7
147.11707	2.9
148.04787	2.7
150.07608	8.0
153.08951	1.4
163.06027	25.9
169.04955	2.6
175.06024	1.5
177.05452	2.6
181.07025	1.4
194.54214	1.5
212.90764	1.4
219.01820	1.7
223.23085	1.5
233.13795	3.3
241.07291	1.7
250.18021	2.1
259.08139	6.4
263.14865	12.5
277.09204	6.2
291.04150	1.8
294.98804	1.5
295.10229	6.6
302.30453	1.7
319.10403	1.9
371.99301	1.6
412.19717	9.2
413.17468	4.2
413.21567	5.6
433.13910	3.7
434.14240	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3256
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
55.05508	10.0
57.07069	2.0
65.03944	1.2
67.05505	19.0
69.03411	1.7
69.07068	18.3
69.15319	1.1
70.97320	2.2
70.97639	1.9
75.35050	1.2
79.05488	13.0
81.03403	1.5
81.07055	37.4
83.08617	6.7
84.04539	1.4
85.02918	8.3
85.06530	4.1
91.05478	14.4
93.06466	2.5
93.07039	33.7
95.04967	3.1
95.08606	69.6
97.02883	2.5
97.06516	2.4
97.10165	4.0
98.57172	1.1
101.18953	1.1
105.07029	37.0
105.18846	1.1
107.08593	51.3
109.06519	5.5
109.10155	34.9
111.08089	2.8
117.07015	6.2
119.08583	46.7
121.06516	5.8
121.10136	36.7
123.08101	6.7
123.08858	1.1
123.11706	27.4
125.05942	1.5
127.03874	1.7
127.07507	1.3
128.77916	1.2
129.07004	3.7
130.07762	1.5
131.08556	18.4
133.06549	1.3
133.10129	27.1
134.48936	1.5
135.04457	1.6
135.06995	1.5
135.08046	3.4
135.11700	21.3
137.05975	56.1
137.09622	2.4
137.13249	5.1
143.08574	4.1
145.06493	1.5
145.10115	22.2
147.08078	3.5
147.11676	22.0
149.09641	2.0
149.13258	36.7
150.13585	1.4
151.07576	1.7
151.11211	2.8
151.14803	2.5
156.09322	1.7
157.10133	5.2
159.08072	8.9
159.11685	19.3
161.09639	5.1
161.13251	32.4
163.03896	5.1
163.07538	7.0
163.11223	5.1
163.14818	37.3
164.15237	1.2
165.09096	3.6
169.10104	1.4
171.11685	5.5
172.12361	1.4
173.13292	13.3
175.11281	1.2
175.14825	25.6
176.15160	1.4
177.09097	29.2
177.12756	3.6
177.16367	20.3
178.39192	1.2
179.10713	1.9
179.14336	7.9
183.11716	2.7
185.13277	4.3
187.11165	4.0
187.14804	32.1
189.12814	5.9
189.16356	20.9
191.10678	2.7
191.14294	2.7
191.17953	13.4
191.33894	1.2
193.15883	2.5
197.13283	2.1
199.14824	4.7
201.12698	1.4
201.16331	13.0
203.05820	1.5
203.14378	3.8
203.17958	40.5
205.12209	20.6
205.15839	2.6
205.19498	2.5
207.13788	23.9
213.16411	5.5
215.14394	2.2
215.17941	11.6
219.13959	2.1
219.17517	1.8
221.15367	3.3
225.16396	2.5
227.18005	4.1
229.15938	2.6
229.19554	12.1
233.15373	1.6
241.19481	3.7
243.21117	2.4
249.18530	1.6
255.21071	5.8
261.18597	2.0
265.19449	1.5
287.20016	1.7
297.22256	1.6
309.25699	2.0
315.23041	1.8
337.29025	1.8
365.32172	1.5
375.30423	6.4
383.33173	2.6
393.31482	16.6
411.32571	100.0
412.32944	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	411.3256
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
53.03918	2.5
55.05264	1.9
55.05505	16.5
57.03419	2.7
57.07056	2.8
59.30772	1.9
65.03944	2.9
67.01859	1.8
67.05505	21.5
69.03431	8.7
69.07069	23.7
70.82645	2.6
70.82967	2.6
72.08147	1.6
76.93311	1.7
79.05489	17.3
81.00841	1.8
81.03388	7.4
81.07057	54.4
83.04958	4.8
83.08215	1.9
83.08619	19.2
84.04514	2.0
85.02901	16.0
85.06520	2.5
89.03888	5.5
91.04967	1.9
91.05476	20.9
93.06480	3.2
93.07043	48.2
95.04928	4.3
95.08603	85.4
96.08929	3.0
97.02853	7.6
97.06493	4.5
97.10139	6.2
99.04427	2.2
102.18533	1.6
105.06407	3.0
105.07037	39.3
107.04928	4.0
107.08595	66.9
108.08887	2.5
109.02832	7.5
109.06468	7.4
109.10155	41.3
110.10500	3.0
111.04440	1.6
111.08043	4.1
111.11663	3.3
115.03871	1.9
117.03358	8.4
117.06982	7.1
119.08574	55.6
120.08889	2.4
121.06491	5.4
121.10142	51.4
123.08021	5.0
123.10957	2.1
123.11713	25.0
125.05973	2.8
127.03852	6.5
129.01816	1.7
129.06955	2.3
131.08598	15.8
133.10129	40.8
134.10440	2.4
135.04430	19.0
135.08020	4.0
135.11681	28.0
135.45297	1.8
137.05975	56.8
137.13213	7.9
142.07677	2.9
143.08539	8.7
144.09250	1.7
145.01849	1.8
145.02838	13.5
145.06444	3.0
145.09065	2.3
145.10117	22.2
147.08011	4.4
147.11671	23.6
149.09558	3.1
149.13252	45.0
151.07494	3.8
151.11128	4.3
151.14854	2.8
153.08899	1.5
157.10077	6.8
159.08014	8.9
159.11723	13.5
161.09584	5.9
161.13269	30.5
163.03903	100.0
163.07535	11.2
163.11130	5.5
163.14819	49.3
164.04163	6.7
169.10112	2.2
171.11685	7.9
173.09589	3.1
173.12010	1.7
173.13287	14.2
175.14833	35.0
177.09103	33.1
177.12682	1.7
177.14998	2.3
177.16379	30.7
178.16685	1.7
179.10640	4.6
179.14276	7.2
179.18047	1.8
183.11600	2.2
185.13200	6.7
187.11174	3.1
187.14821	33.7
188.15157	1.8
189.12668	7.3
189.16373	34.3
191.10570	3.3
191.14246	3.6
191.17981	15.2
197.13258	3.7
199.14755	6.1
201.12712	1.8
201.16380	17.6
203.14355	3.9
203.17964	55.3
204.18222	4.8
205.12216	23.0
205.15871	3.3
205.19493	3.4
207.13777	25.1
213.16408	8.9
215.14241	3.6
215.17963	14.8
217.15979	3.2
217.19424	3.9
219.13745	3.0
219.17351	2.5
221.15327	4.5
225.16316	2.2
227.17790	5.5
229.19508	10.4
231.17448	2.0
231.20871	3.1
233.15298	3.1
235.16771	2.8
239.17857	3.0
241.19434	5.0
243.17332	1.9
247.16852	2.3
249.18529	2.2
255.21071	3.8
267.20862	2.3
283.24176	4.2
287.20068	2.5
291.10135	2.0
309.25647	2.4
337.28760	2.9
351.12292	2.6
365.31848	3.6
375.30255	5.6
383.32922	2.6
393.31302	16.1
411.09067	3.6
411.32333	97.0
412.32727	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	411.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.4
57.03434	7.2
57.83511	3.4
67.05499	31.0
69.07060	25.0
70.92741	9.1
71.04989	7.3
78.49688	2.9
79.05492	20.7
81.07061	86.0
83.04971	4.8
83.08618	15.4
85.06527	5.3
91.05483	31.8
93.07052	31.8
95.04983	6.1
95.08613	100.0
97.06522	15.3
97.10201	6.4
97.47094	3.4
99.08068	9.2
105.03736	9.8
105.07027	35.8
107.08579	19.5
109.06487	4.4
109.10159	9.2
119.08589	49.1
121.10151	18.6
122.06328	4.1
123.08067	12.6
133.10143	36.8
135.11757	17.3
137.09601	5.6
137.13283	15.5
161.13260	88.8
179.14328	71.6
190.43088	3.4
197.15369	10.2
241.65497	3.5
348.28848	11.0
357.27960	6.2
375.28784	10.1
412.28943	4.6
431.98523	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	411.3258
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
53.03922	1.5
55.05511	10.0
57.03426	1.7
57.07067	2.4
63.49261	1.4
65.03911	1.7
67.05505	20.4
69.03412	6.1
69.07059	17.8
71.04985	1.7
79.05492	17.2
81.07056	41.9
83.08618	7.8
85.02905	12.4
85.06518	2.3
87.04442	2.5
91.05471	16.1
93.07046	38.2
95.04953	5.9
95.08607	74.1
97.02883	6.0
97.06540	1.6
97.10151	4.6
102.45741	1.3
105.07033	39.9
107.08594	57.2
109.06538	8.2
109.10156	41.4
109.10710	0.8
109.10904	1.5
111.08074	5.5
111.11715	1.9
115.03917	3.3
115.05450	1.8
117.07027	3.7
119.08579	50.2
121.06510	5.2
121.10146	39.6
121.11029	1.9
123.08047	4.6
123.11706	28.8
125.05988	2.6
129.07005	3.4
130.07797	1.5
131.08565	17.6
133.04893	2.3
133.10138	33.9
135.08038	5.4
135.11693	21.8
136.11961	1.6
137.05981	55.2
137.09593	2.5
137.13237	5.5
143.08536	6.1
144.09326	1.9
145.02858	1.9
145.06509	2.8
145.10127	25.9
147.08040	4.4
147.11693	26.8
149.06058	1.4
149.09607	2.5
149.13252	45.4
151.07579	2.2
151.11200	3.8
151.14754	2.2
155.08499	1.9
157.10155	7.4
159.08058	8.5
159.11674	19.4
161.09644	6.6
161.13268	33.2
162.13632	1.4
163.03947	12.3
163.07451	6.5
163.11200	3.9
163.14821	45.1
169.10039	1.9
170.10956	2.7
171.11667	6.3
173.09660	2.2
173.13283	12.6
174.13670	1.9
175.11285	1.4
175.14819	26.9
177.09111	30.7
177.12747	4.6
177.16379	20.5
179.10684	1.8
179.14330	11.1
183.11752	2.9
185.13271	5.8
187.11241	3.0
187.14812	31.3
188.15146	1.6
189.12785	7.6
189.16386	20.8
191.10716	3.1
191.14302	2.7
191.17937	13.1
197.13329	2.3
199.14830	5.3
201.16359	16.2
203.14249	4.6
203.17960	37.0
203.19742	2.7
204.18279	1.8
205.12248	22.4
205.15811	2.5
205.19522	3.3
206.41324	1.4
207.13812	23.0
211.14856	2.2
213.16409	5.6
215.17963	15.3
217.15768	2.3
217.19487	2.2
219.13765	2.6
221.15390	4.3
227.17929	6.1
229.19516	17.0
229.55092	1.9
233.15430	2.9
241.19450	3.6
243.17499	3.1
243.21014	3.2
247.17171	1.9
249.18617	1.8
255.21144	4.8
269.22705	2.3
279.21054	1.8
287.19882	2.1
297.22299	1.8
309.25891	3.9
315.23306	2.1
341.24744	1.7
365.31955	4.6
375.30609	6.1
383.33005	3.3
393.31573	15.4
394.31500	2.5
410.70486	3.8
411.10455	1.6
411.20737	4.0
411.32565	100.0
412.33142	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	411.2504
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
53.81017	4.4
57.07073	7.9
57.98449	4.0
65.30471	4.0
69.07057	4.6
69.59119	24.6
69.59534	9.1
71.08637	5.7
77.99551	3.5
81.07034	10.3
95.08631	7.1
98.20806	7.1
98.98418	6.5
99.52900	4.5
115.72355	4.1
123.23353	4.3
155.01009	12.0
216.10579	4.6
245.21072	4.6
256.48645	4.1
313.27243	6.7
323.19858	15.7
411.25061	100.0
412.25540	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	411.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55532	1.5
55.05300	1.6
55.05509	16.9
57.03426	4.7
57.07060	2.1
65.25890	1.6
67.05170	2.8
67.05507	32.7
69.07072	19.2
70.92941	4.3
71.04976	5.5
79.05494	19.2
81.07059	83.4
82.07395	2.7
83.04967	5.2
83.08617	17.5
85.06521	6.2
91.05476	25.7
93.07051	27.6
95.04965	2.5
95.08608	94.3
96.08910	1.8
97.06542	16.2
97.10199	7.3
99.08087	8.4
105.07035	40.2
105.07761	2.0
107.08596	15.0
109.06513	3.7
109.10151	9.1
111.08070	5.0
113.09619	3.4
115.07603	2.5
117.06992	2.7
119.04935	1.5
119.08582	44.5
121.10148	18.0
123.08047	7.1
127.07565	2.9
131.08559	3.0
133.10130	31.6
134.10483	1.8
135.11694	20.4
137.09613	3.2
137.13266	16.3
141.09100	2.1
161.13258	100.0
162.13574	2.1
179.14311	76.0
180.14661	3.4
197.15379	11.9
339.26740	2.7
357.27817	6.6
375.28995	6.0
402.05255	1.9
411.25394	3.0
411.30936	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73738	0.3
53.03944	2.6
53.80307	0.4
55.01855	1.4
55.05511	4.7
56.96552	0.5
57.03237	0.3
57.03442	3.2
57.07068	1.3
58.15261	0.4
59.04982	0.9
61.02930	3.9
62.14539	0.3
67.01861	1.1
67.05505	3.2
68.99767	0.5
69.03427	18.2
69.07053	1.6
69.80513	0.3
71.01337	0.5
71.04984	2.7
71.59339	0.7
71.59721	0.4
73.02919	2.8
79.05486	3.2
79.05918	0.5
81.03416	10.7
81.07056	6.7
81.72412	0.4
83.01334	0.6
83.04980	32.9
83.08629	0.5
85.02905	28.4
85.06543	9.7
86.03246	0.6
86.09708	0.7
87.00822	1.6
87.04460	2.5
89.03910	6.1
91.03939	1.5
91.05476	3.6
93.07032	1.7
95.04958	2.3
95.08592	4.4
97.02888	13.3
97.06540	0.6
99.04456	5.2
101.02381	0.5
103.03920	2.6
105.01875	1.2
105.07043	3.1
107.04973	2.8
107.08590	1.9
109.02882	11.4
109.06503	1.5
109.10146	1.7
110.03219	0.5
111.04424	1.0
117.03381	8.8
117.07008	1.6
119.04932	0.5
119.08587	4.4
121.06499	1.4
121.10136	1.4
123.04446	0.4
123.08063	16.1
125.09616	0.7
127.03916	15.4
129.01842	0.7
129.07013	2.6
131.04849	0.6
131.08585	2.9
133.06477	1.2
133.10117	4.6
135.04416	19.0
135.08051	1.6
135.11690	0.6
136.04738	1.1
136.46309	0.3
137.09602	1.6
137.13232	1.0
143.08578	1.8
144.08005	0.5
145.02853	12.9
145.04929	5.3
145.06073	0.6
145.06529	0.4
145.10106	2.2
147.08043	5.1
147.11693	1.7
149.05922	0.8
149.09593	2.4
151.11118	0.6
154.94135	0.7
157.06235	0.4
157.10068	0.8
159.08046	0.5
159.10052	0.4
159.11629	1.0
161.09636	1.4
161.13269	1.4
163.03902	100.0
163.11224	2.4
164.04245	5.8
165.09111	4.5
170.10846	0.4
171.11696	0.6
172.95232	2.0
173.13248	1.1
175.07553	2.6
175.11180	0.4
175.14835	2.9
177.09090	1.6
179.10751	0.6
181.05069	2.2
185.13264	1.7
186.05565	0.5
187.09531	0.7
189.09123	0.5
190.96278	1.6
193.08607	1.9
203.14308	12.2
204.10118	0.5
205.10548	0.7
209.42625	0.4
221.15370	17.8
222.15594	0.4
231.13887	2.5
233.15434	0.9
247.06064	0.8
249.14864	31.8
250.15309	0.8
252.91823	1.8
270.52026	0.5
270.93005	2.1
297.13443	0.5
307.07941	1.9
371.03287	0.9
393.07977	1.0
393.12897	0.8
411.09244	4.2
411.14050	0.5
411.15012	0.5
411.20178	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	411.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01870	0.5
55.05509	2.7
57.03429	2.6
57.07074	2.3
59.19045	0.3
61.02925	2.2
63.02393	0.5
65.03931	0.6
67.01870	1.1
67.05508	3.1
69.03427	13.1
69.07053	0.5
70.06577	0.4
70.75565	1.2
71.04996	2.7
72.08153	1.7
73.02901	1.2
79.05487	2.2
81.03416	16.6
81.07064	1.0
83.04481	0.6
83.04976	10.8
85.02903	25.4
85.06541	81.5
86.06863	0.7
87.00842	1.3
89.03908	6.0
89.92061	0.3
91.03902	0.4
91.05467	2.2
93.07054	0.4
95.04960	1.1
95.08614	0.5
97.02895	6.3
97.06563	0.6
97.84498	0.4
99.04449	10.9
103.03942	17.1
103.05447	0.8
105.01895	0.5
105.07029	14.3
107.04950	1.7
107.08633	0.5
109.02877	14.9
109.10173	0.4
115.05460	0.4
117.03362	7.6
117.07016	1.1
118.03646	0.5
119.08577	14.4
120.08109	4.3
120.08915	0.7
121.06503	0.7
121.10165	0.5
123.08067	1.0
127.03912	39.8
128.04233	0.8
129.01872	0.8
129.06996	1.4
130.22630	0.4
131.08621	0.4
133.06543	0.7
135.04410	17.8
135.08035	2.8
136.04744	0.9
145.02849	12.8
145.04913	5.3
145.10117	0.6
146.03174	0.4
147.08038	36.1
148.08357	0.7
149.09610	0.8
159.08122	0.5
163.03900	100.0
164.04221	4.6
165.09134	0.4
168.97015	0.4
175.07491	1.8
175.14778	0.5
177.05566	0.4
181.04884	1.9
187.05975	2.2
203.14342	0.4
205.15833	0.6
213.12646	0.4
219.14862	1.1
221.15309	0.6
231.13805	7.6
233.15393	0.5
247.06015	0.7
247.14360	0.7
249.14845	0.7
252.86009	0.3
253.07066	1.1
271.08194	1.0
293.86411	0.4
307.07944	1.8
379.52612	0.4
393.07892	0.9
411.09119	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	411.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60406	1.0
54.01794	0.9
60.21785	1.0
69.03432	6.8
69.91444	5.7
71.04986	1.3
75.92778	0.9
78.77484	0.9
79.05445	1.2
81.03427	8.0
81.07032	2.1
85.02885	2.4
91.05464	1.9
95.04945	1.6
97.02896	1.9
98.20773	1.0
99.04433	3.7
103.05451	1.4
105.03401	8.2
105.07058	1.4
118.06534	1.8
121.02831	2.5
127.03974	1.2
131.04909	2.0
131.08499	1.3
133.10153	1.4
145.07536	1.0
147.04375	2.7
147.09146	2.7
161.02881	1.0
163.03842	4.3
167.03331	1.3
173.07069	2.0
175.08649	2.2
181.09583	1.0
185.75136	1.0
190.07207	1.1
191.08150	17.8
201.03754	9.6
203.05287	36.8
231.09915	6.2
233.03568	1.1
233.11420	2.7
244.03444	1.2
251.18221	1.0
252.06146	2.9
267.10928	1.7
289.11588	1.7
291.10880	1.6
307.12793	4.9
309.11841	2.2
325.13913	2.5
347.13452	2.8
365.14462	1.8
375.11841	1.4
393.13107	9.1
411.16006	100.0
412.16281	1.7
424.07428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
57.03416	0.5
60.04528	0.6
66.13174	0.5
67.05489	0.6
69.03396	1.0
69.07056	0.6
70.06563	0.9
71.04995	0.5
71.59145	0.8
81.03405	1.3
81.07014	0.5
81.08163	0.4
85.02872	2.3
85.06510	0.5
91.05473	1.3
95.04944	1.1
95.08591	0.6
97.02895	0.9
99.04454	0.7
105.03366	3.7
105.07021	0.6
107.04927	0.7
107.08602	0.9
109.10136	0.7
111.04400	0.7
112.08656	0.6
116.98622	0.5
119.04920	0.6
119.08568	0.7
120.08089	1.5
121.02837	1.3
127.03905	0.6
127.20576	0.5
131.04886	0.7
131.08528	0.7
133.10149	0.6
136.07568	0.7
145.04897	0.7
147.04416	3.0
163.03867	1.5
177.05421	1.1
187.89612	0.6
191.08217	2.7
201.03699	7.7
203.05272	36.1
231.06494	1.0
231.09991	5.6
233.11613	2.4
249.09714	1.0
267.10635	1.8
291.10626	1.2
309.11795	2.1
393.13867	0.7
407.63596	0.5
411.16046	100.0
412.16531	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	411.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36152	1.2
70.63821	0.3
79.05450	0.2
85.02878	0.5
86.09702	0.3
99.34274	0.2
110.12819	0.2
117.03804	0.3
124.84889	0.2
143.01871	0.4
147.04375	1.7
161.03033	0.3
177.05522	0.3
182.57910	0.3
207.08734	0.6
225.09772	0.4
249.09764	1.0
249.11185	0.5
267.10831	3.9
285.11902	0.3
291.10803	0.7
304.35721	0.3
309.11893	1.2
319.86761	0.3
342.45721	0.3
351.12830	0.4
411.16220	100.0
412.16495	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
53.11609	0.4
56.28410	0.4
58.61869	0.4
69.61676	0.5
69.62022	3.0
70.06606	0.5
71.07436	0.4
72.08102	0.4
79.05500	0.5
85.02905	1.0
91.05489	0.5
95.08659	0.4
97.02865	0.6
105.03375	0.4
105.07001	0.6
117.03402	0.5
119.04946	0.7
122.41997	0.4
144.76085	0.4
145.02817	0.5
147.04465	2.6
164.01822	0.5
177.05513	0.9
203.05270	8.0
207.08772	0.6
231.09938	1.7
249.09819	1.5
267.10828	3.7
291.10797	1.1
309.11804	1.9
350.16211	0.4
411.16193	100.0
412.16556	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63846	0.6
55.05525	3.6
56.05845	1.3
60.99166	1.2
69.03400	0.7
70.06582	0.8
70.59521	1.3
79.05470	0.6
81.07052	0.5
83.04948	0.6
83.08614	3.6
84.04501	2.4
84.08938	2.0
85.02914	1.4
85.04852	0.9
91.05477	1.9
95.04954	0.7
97.02876	1.0
97.14509	0.5
105.03362	1.0
108.76669	0.5
115.81026	0.6
116.01670	0.9
116.98656	0.7
118.01260	4.0
119.01593	1.5
119.04960	1.8
121.02781	0.7
122.27518	0.5
127.03918	1.1
131.08684	0.5
145.04953	0.8
145.06386	0.8
146.00633	1.2
147.01047	0.9
147.04422	9.9
148.04817	0.6
161.02907	0.7
161.07980	1.5
162.02249	0.8
162.08371	0.8
163.02516	1.5
163.03864	0.8
164.01747	5.6
164.02829	0.8
165.02139	2.4
177.05472	0.6
203.05281	20.7
207.91788	0.6
231.09879	3.5
244.08109	0.6
249.09784	0.7
251.21347	0.6
264.10806	1.8
265.10892	2.8
267.10794	1.7
281.13358	1.0
282.13754	1.5
291.10840	2.1
309.11819	2.3
336.15009	1.5
351.12668	0.7
351.28955	0.6
411.16238	100.0
412.16553	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32403	0.4
53.03934	1.5
54.72837	0.4
55.01875	3.1
55.05505	0.6
56.96560	0.6
57.03435	2.4
60.04519	0.3
67.05484	0.6
69.03431	11.2
69.07055	0.4
70.06605	1.9
70.06905	0.4
70.68981	0.8
70.69354	0.6
71.01350	0.9
71.04652	0.5
71.04998	6.8
73.02946	0.8
79.05485	0.8
80.04945	0.4
81.03423	8.7
81.07043	1.1
83.04949	0.7
83.08610	0.4
85.02927	2.8
87.00806	0.9
87.04462	0.9
91.05479	2.2
93.07062	1.0
95.04966	1.1
97.02879	1.1
98.97549	0.5
99.04456	4.3
103.05437	0.4
105.01852	0.4
105.03378	2.3
105.07037	1.0
107.04955	0.5
107.08602	1.0
109.02866	0.5
109.06507	0.5
112.08692	0.5
116.98605	0.8
117.05521	2.3
118.06542	3.3
119.04964	2.4
119.08594	0.5
120.08131	1.9
121.02834	0.9
127.03943	1.3
133.04938	0.5
133.10170	0.5
135.08037	0.5
135.11691	0.9
136.07558	1.6
143.26163	0.4
145.07610	6.0
147.04425	4.3
147.08078	0.6
147.09160	3.8
161.09615	0.5
162.10193	0.6
163.03902	1.4
163.06099	0.4
163.08702	1.3
163.11140	0.4
173.07118	11.9
175.08670	3.4
177.05484	1.1
185.04454	0.5
188.08168	1.9
191.08159	100.0
192.08562	2.5
203.05338	1.7
217.11604	0.5
231.11333	0.3
231.13739	1.2
237.02698	0.5
249.15056	0.6
252.10521	0.8
271.10809	0.9
283.19437	0.4
289.11871	3.0
307.12888	45.1
308.13248	1.2
322.14059	4.8
325.13925	6.3
393.12909	3.9
411.14835	5.2
411.19977	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	411.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01870	2.8
55.05482	0.3
56.05013	0.3
57.03429	2.1
59.04973	0.6
61.02909	0.3
67.05466	0.6
68.99791	0.4
69.03087	0.6
69.03430	8.7
69.07050	0.4
70.06583	1.0
70.92034	0.9
71.01350	0.6
71.04990	5.3
73.02907	1.0
75.04436	0.4
81.03419	28.5
81.07070	0.6
82.03746	0.4
84.08102	0.3
85.02890	0.9
86.09705	0.7
87.00809	1.5
87.04465	0.4
89.03899	0.6
91.05482	1.0
93.07032	0.5
95.04944	0.9
95.08598	0.6
97.02888	1.0
98.97579	0.5
99.04459	8.7
99.63734	0.3
105.01870	0.5
105.03387	5.1
107.04955	0.4
109.02866	0.6
113.17594	0.3
116.04959	0.5
117.03339	0.8
117.05484	2.8
118.06550	4.1
120.08081	1.5
121.02859	1.3
125.02366	0.4
127.03919	0.7
130.06503	0.6
130.08644	0.4
132.06689	0.4
135.04395	1.1
138.60094	0.3
141.05420	0.4
145.02849	1.5
145.07600	5.2
145.10147	0.4
147.05478	0.4
147.09171	11.0
148.06410	0.4
159.09241	0.4
161.07114	0.6
161.10925	0.3
162.07915	1.5
163.03906	8.5
163.08638	1.4
164.25240	0.3
167.03345	0.5
172.06323	0.3
173.07108	11.1
175.08672	12.1
176.09242	0.3
177.05463	0.9
184.07310	1.6
185.04456	1.3
185.07144	0.4
187.08676	0.7
190.07410	0.4
191.08154	100.0
192.08507	1.9
199.08569	0.5
203.08182	0.9
203.11620	0.3
205.09769	0.7
206.07874	0.3
213.10229	0.5
215.08217	0.6
215.11794	0.6
227.13979	0.6
231.11342	0.5
233.09160	1.8
235.10832	1.0
243.11301	0.9
271.10742	2.1
289.09079	0.2
289.11823	6.9
307.12888	19.2
308.13318	0.7
325.13940	11.0
326.14230	0.4
331.12906	3.2
349.14014	3.5
357.11130	0.5
375.11859	19.4
376.12390	0.9
393.12915	43.3
394.13086	1.8
411.16138	0.5
411.20279	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
53.03948	1.1
53.50997	0.2
53.84905	0.2
57.03429	0.5
57.94934	0.2
60.22024	0.2
61.02906	0.2
62.09214	0.2
63.02350	0.2
67.01859	0.9
68.99773	0.3
69.03075	0.3
69.03429	3.7
71.04984	0.9
71.59441	0.3
71.94341	0.2
79.05479	1.2
81.03415	5.3
85.02903	2.9
87.00809	0.7
89.03913	6.8
90.04930	0.2
91.05488	0.3
95.04964	0.7
95.08611	0.2
97.02888	3.5
99.04451	1.4
104.36691	0.2
105.01827	0.3
105.07018	0.2
105.77002	0.2
107.04265	0.3
107.04946	2.6
107.08551	0.3
109.02880	7.7
117.03378	8.3
119.08604	0.3
127.03904	4.9
129.01816	0.5
135.04414	18.5
136.04665	0.2
145.02844	12.7
147.02888	0.3
147.04459	0.2
147.11627	0.3
163.03897	100.0
164.04230	1.4
177.05588	0.2
181.04944	1.6
186.05481	0.3
191.10617	0.2
231.04907	0.3
247.06059	0.3
291.10104	0.2
307.08105	2.5
325.09085	0.2
351.07269	0.2
355.02631	0.2
393.08139	0.9
411.09286	4.4
411.14862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99094	4.1
55.01854	4.9
55.05507	10.0
56.96042	3.8
56.96562	5.5
57.03428	9.2
67.05516	7.5
69.03431	35.1
69.07079	4.5
69.78327	25.5
70.06585	17.1
70.27380	4.3
70.74466	3.7
71.04992	7.5
72.08132	8.3
73.02909	4.8
81.03419	8.1
81.07052	13.0
83.05013	5.5
84.04498	6.4
85.02911	46.9
87.04462	11.8
91.05491	9.5
93.57645	4.9
95.04991	6.3
95.08593	5.3
96.17999	3.7
97.02925	23.9
98.97575	16.5
99.04456	9.7
103.03935	9.7
105.07048	12.0
107.08595	8.4
108.28842	4.1
109.02868	8.1
115.03935	13.6
116.10738	12.3
116.98612	9.1
119.04955	9.4
121.10138	4.4
127.03915	19.4
131.04929	5.1
133.04962	14.3
133.06499	6.0
134.99585	6.3
135.11673	8.3
136.06198	15.7
145.02859	8.1
145.04950	12.6
146.99611	14.6
147.04422	34.4
161.05972	17.1
162.05534	8.5
163.03893	18.1
163.05946	11.8
175.07697	4.6
177.05544	5.0
189.00781	5.2
203.05229	25.7
213.14790	10.2
219.01750	10.2
231.13817	7.1
237.02821	21.0
255.94136	4.5
411.10785	59.6
411.16193	100.0
411.20258	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.1
51.02386	0.1
53.00308	0.1
53.03939	0.8
55.01852	0.1
57.03426	0.2
57.27417	0.1
61.02909	0.1
63.02330	0.4
66.44859	0.0
67.01520	0.1
67.01859	1.3
67.05484	0.1
68.99776	0.2
69.03425	3.3
71.01347	0.1
71.04984	1.0
71.59300	0.1
73.02897	0.1
77.03925	0.1
79.05487	1.1
81.03412	5.4
82.03769	0.1
83.01357	0.1
83.04954	0.1
84.08128	0.1
85.02899	2.8
86.03238	0.1
87.00824	0.8
89.03910	6.2
91.05459	0.2
92.05870	0.0
93.07036	0.1
95.04948	0.4
97.02885	3.2
99.04449	1.6
105.01896	0.1
107.04953	2.3
109.02872	8.4
109.06553	0.1
110.03171	0.1
111.04430	0.1
116.98636	0.1
117.03371	8.1
118.03732	0.1
119.08617	0.1
127.03907	4.9
128.04301	0.1
129.01810	0.1
134.03528	0.1
135.04408	18.0
135.11684	0.1
136.04732	0.3
138.34741	0.0
139.32774	0.1
145.02835	12.7
146.03203	0.2
147.04332	0.1
158.06056	0.2
163.03888	100.0
164.04219	1.8
177.05447	0.1
179.07135	0.1
181.04944	1.7
186.05478	0.5
201.05646	0.1
213.03981	0.2
243.06473	0.1
247.05997	0.2
307.08102	3.0
325.09235	0.3
349.09097	0.1
351.07047	0.2
390.69000	0.1
393.08127	1.0
411.09204	4.6
412.09641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
53.03937	0.7
55.01852	0.3
55.05496	0.6
57.03435	0.7
57.07047	0.2
61.02936	0.3
62.07104	0.2
63.02371	0.4
65.03927	0.2
67.01865	0.9
67.05494	0.7
68.99785	0.3
69.03077	0.2
69.03432	3.7
69.07059	0.7
71.04998	1.4
71.58277	0.2
71.58689	0.2
73.02913	0.4
79.05503	1.8
81.03422	5.7
81.07063	1.6
83.04977	0.5
83.08614	0.4
84.04506	1.5
85.02908	3.7
86.76615	0.1
87.00822	0.7
89.03916	7.0
89.04469	0.4
91.05488	0.6
93.07038	1.4
95.04978	0.5
95.08612	2.4
95.75084	0.2
97.02894	5.1
99.04453	1.6
105.07047	0.9
107.04964	2.7
107.08593	1.9
109.02881	7.4
109.06420	0.2
109.10161	1.3
111.04473	0.4
115.03936	0.9
117.03389	7.3
117.06991	0.2
118.08598	0.2
119.08572	1.3
121.10149	1.4
123.04435	0.2
123.11692	0.6
126.05527	0.3
127.03918	5.7
129.01804	0.3
129.07033	0.2
129.09190	0.2
131.08566	0.4
133.10130	0.9
135.04422	18.3
135.11696	0.8
136.04768	0.3
137.06015	0.2
139.03889	0.2
140.47165	0.1
145.02852	11.7
145.10138	0.5
147.02910	0.3
147.07999	0.2
147.11667	0.8
149.13223	1.1
158.05995	0.3
159.11682	0.3
161.09615	0.2
161.13258	0.6
163.03909	100.0
163.14822	1.7
164.04243	1.4
165.09076	0.2
168.06497	0.2
169.10165	0.2
173.13228	0.3
175.14799	0.6
177.16426	0.9
181.04976	2.2
185.09605	0.3
186.05511	0.7
186.07469	0.2
187.14862	0.3
189.16376	0.9
191.17973	0.6
191.99312	0.2
201.16315	0.3
202.07600	0.2
203.08459	0.3
203.18013	1.4
211.06035	0.5
213.03979	0.3
215.17908	0.2
217.19586	0.2
229.06898	0.3
231.05052	0.2
231.08047	0.5
231.20886	0.4
233.05971	0.2
247.07545	0.3
248.08340	0.3
258.06787	0.3
259.07574	0.6
265.09070	0.3
275.07074	0.4
276.07800	0.4
277.08453	0.3
287.06918	0.3
290.09393	0.5
291.10162	1.0
305.08075	0.3
307.08148	2.6
314.16003	0.5
319.09714	0.9
320.10681	0.2
321.07507	0.2
325.09290	0.4
351.07739	0.3
351.12265	2.1
393.08112	0.9
393.20578	0.3
393.35104	0.3
411.09256	4.6
411.22348	0.7
411.36533	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04217	0.2
53.03942	1.4
55.01865	0.2
55.05514	0.2
57.03425	0.3
61.02919	0.3
63.02355	0.3
67.01858	1.2
67.05496	0.5
68.99773	0.2
69.03428	3.5
71.01331	0.2
71.04985	0.8
71.59796	0.3
79.05495	1.2
81.03416	5.9
81.07034	0.5
85.02905	2.8
87.00832	0.8
89.03912	6.6
90.91173	0.2
91.05479	0.6
93.07023	0.3
95.04950	0.5
95.08584	0.6
97.02885	3.6
99.04453	1.5
105.01819	0.2
105.07032	0.4
107.04958	2.6
107.08590	0.3
109.02110	0.4
109.02876	7.5
109.10146	0.3
111.04420	0.2
117.03374	7.3
119.08582	0.7
121.10147	0.2
127.03914	5.8
129.01791	0.3
131.08540	0.3
133.10104	0.2
135.04408	19.8
135.11713	0.3
136.04691	0.3
137.09615	0.3
143.08545	0.2
145.02840	12.8
147.04407	0.4
158.06049	0.2
161.00948	0.2
161.05916	0.2
161.13330	0.3
163.03894	100.0
163.14792	0.3
164.04263	1.3
173.13229	0.2
177.05489	0.2
181.04970	1.9
186.05482	0.6
189.16455	0.2
213.04054	0.2
247.06023	0.2
267.05420	0.4
285.06412	0.4
307.08109	2.7
319.09464	0.2
325.09192	0.3
334.81128	0.2
351.07480	0.2
351.12399	0.2
393.08099	1.0
411.09259	4.9
411.15839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.71693	0.3
67.01847	1.4
69.03431	3.0
71.04979	0.9
72.19656	0.3
79.05499	0.9
81.03421	5.3
81.07059	0.3
85.02892	2.1
87.00811	0.5
89.03397	0.6
89.03915	6.8
95.04942	0.6
96.98193	0.3
97.02896	3.5
98.21539	0.5
99.04455	1.5
103.56252	0.3
107.04956	2.3
109.02884	7.0
117.03381	9.4
127.03927	5.7
135.04419	18.6
136.04745	0.4
145.02853	11.4
145.04004	0.6
155.41606	0.3
163.03908	100.0
164.04305	1.8
181.05005	1.8
186.05446	0.4
194.54025	0.3
213.47029	0.3
234.78831	0.4
287.50867	0.3
307.08130	2.4
312.65466	0.4
325.08920	0.3
330.45081	0.4
393.08255	0.8
411.09274	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	411.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86603	0.2
53.03947	1.5
55.05502	0.7
56.19516	0.2
57.03421	0.4
61.02895	0.5
62.39187	0.2
63.02364	0.3
67.01843	1.0
67.05485	1.1
68.90108	0.2
68.99776	1.0
69.03434	2.9
69.07050	0.9
69.28748	2.6
69.29151	0.5
69.38624	0.2
69.82166	0.2
71.04979	0.6
77.25358	0.3
79.05486	1.7
81.02976	0.4
81.03416	4.9
81.07066	1.7
83.04991	0.3
83.08611	0.3
85.02435	0.3
85.02906	3.0
85.06544	0.4
87.00802	0.8
89.03915	6.3
91.05456	0.8
93.07027	1.3
93.33241	0.3
95.04949	0.5
95.08595	2.0
97.02886	3.0
98.21524	0.6
99.04461	1.3
105.07007	0.9
107.04946	2.3
107.08591	1.8
109.02876	7.0
109.06519	0.3
109.10148	0.9
111.04415	0.3
111.08082	0.3
115.05460	0.3
117.03378	8.4
119.08566	1.0
121.10146	1.1
123.11686	0.6
127.03907	4.9
129.01820	1.2
131.08557	0.7
133.10110	0.7
135.04414	18.9
135.11725	0.7
137.05974	1.2
145.02847	11.8
145.04001	0.6
145.10161	0.4
147.02890	0.4
147.11676	0.7
149.13254	0.9
161.13275	0.5
163.03900	100.0
163.14792	0.8
164.04224	1.7
173.13232	0.5
175.14839	0.9
177.09111	0.8
177.16373	0.3
181.04951	1.4
186.05508	0.9
187.14900	0.7
189.16382	0.9
191.18025	0.3
201.16251	0.5
203.17949	1.2
205.12225	0.3
207.13892	0.6
307.08066	2.4
324.11951	0.3
370.19931	0.3
388.20847	0.3
388.30765	0.3
393.08176	0.8
411.09207	4.3
411.32281	1.6
424.35416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.1
53.00309	0.1
53.03942	0.9
53.49412	0.1
55.01866	0.1
57.03440	0.3
60.73575	0.1
62.01581	0.1
63.02348	0.4
63.26411	0.1
67.01527	0.1
67.01859	1.2
68.99773	0.3
69.03427	2.9
69.25193	0.1
69.25449	0.2
69.25867	0.5
71.01340	0.1
71.04990	0.9
77.03902	0.1
79.05489	0.9
81.03413	5.3
83.01304	0.1
85.02899	2.8
85.17443	0.1
87.00819	0.7
89.03912	6.2
91.53600	0.1
95.04947	0.4
97.02887	2.7
98.21436	0.1
99.04449	1.6
101.02335	0.1
102.38794	0.1
107.04196	0.1
107.04949	2.1
109.02874	8.1
111.04464	0.1
117.03372	7.7
118.03718	0.1
127.03907	4.9
128.04237	0.1
135.04408	17.7
136.04716	0.2
145.02840	12.3
146.03156	0.2
158.06049	0.1
163.03893	100.0
164.04221	1.2
181.04945	1.6
186.05453	0.4
196.34300	0.1
208.38521	0.1
213.03949	0.2
213.49168	0.1
218.15749	0.1
231.04991	0.1
289.07141	0.1
307.08105	2.7
312.88165	0.1
325.08997	0.3
333.45538	0.1
351.07101	0.3
376.73190	0.1
385.31448	0.1
393.08182	0.9
411.09219	4.2
412.09265	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	411.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.05500	0.7
55.28297	0.3
57.03422	0.3
61.02930	0.3
67.01843	1.0
67.05498	1.5
68.99780	0.6
69.03423	3.7
69.07081	1.5
69.71092	1.5
70.06556	0.3
71.04984	1.0
71.97540	0.3
73.02907	0.4
79.05483	1.8
81.02983	0.3
81.03417	5.2
81.07059	2.8
83.08604	0.7
85.02898	3.4
85.06529	0.3
85.41584	0.2
87.00804	0.8
89.03398	0.4
89.03910	6.0
91.05468	1.3
93.07048	2.3
95.04954	0.8
95.08604	4.5
97.02883	4.1
97.06512	0.4
98.21550	0.3
99.04458	1.5
105.07028	2.4
107.04965	2.5
107.08603	3.1
108.08911	0.4
109.02879	7.8
109.06541	0.4
109.10158	2.4
110.10483	0.3
115.03860	0.5
117.03376	7.7
119.04957	0.3
119.08578	3.1
121.10132	2.5
123.08068	0.4
123.11698	1.8
125.09586	0.3
127.03902	4.8
131.08566	0.9
133.10109	2.2
135.04411	16.2
135.08072	0.4
135.11702	1.3
137.05972	2.9
143.08586	0.7
145.02843	11.6
145.03990	0.6
145.10089	1.5
147.04333	1.2
147.11699	1.7
149.13242	1.9
157.10153	0.5
159.08073	0.7
159.11664	0.7
161.09698	0.3
161.13252	1.7
163.03899	100.0
163.14815	2.3
164.04222	1.8
165.09203	0.3
171.11650	0.5
173.13313	0.7
175.14839	1.5
177.09152	1.8
177.16444	1.3
181.04944	2.2
185.13268	0.3
186.05553	0.6
187.14813	2.0
188.15099	0.3
189.12718	0.5
189.16400	0.9
191.17969	0.8
199.14905	0.5
201.16362	0.9
203.14371	0.3
203.17957	3.0
205.12236	1.1
207.13795	1.2
213.16310	0.3
215.17967	0.7
229.19618	0.4
246.06845	0.3
269.96762	0.3
287.20114	0.3
307.08099	2.4
351.07181	0.4
393.08224	0.8
393.31433	0.8
410.35010	0.4
411.09195	5.1
411.21252	0.4
411.27151	0.5
411.32520	5.5
412.10016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
61.02907	0.8
62.09345	0.3
67.01862	1.0
68.99776	0.9
69.03426	2.6
70.85281	0.6
70.85633	0.3
71.04979	0.8
79.05467	0.9
81.03414	3.9
81.07037	0.3
85.02906	2.3
85.75217	0.3
87.00811	1.0
89.03911	6.1
91.05444	0.3
93.07011	0.3
95.04974	0.4
95.08590	0.4
97.02886	2.7
99.04443	0.9
107.04951	1.9
107.08599	0.4
109.02889	6.0
117.03375	7.2
119.08546	0.4
126.52500	0.3
127.03913	6.2
129.01802	0.6
134.03651	0.3
135.04408	18.0
135.11734	0.4
137.55666	0.3
145.02840	10.6
146.03171	0.4
147.02863	0.4
163.03896	100.0
164.04266	1.5
167.62706	0.3
181.04951	1.8
186.05482	0.3
200.43816	0.3
213.03946	0.4
251.51451	0.3
307.08145	2.6
325.09332	0.3
393.08060	0.9
411.09210	4.7
411.25928	0.4
411.32446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53179	0.2
53.03951	1.1
54.46080	0.2
61.02916	0.3
63.12934	0.2
63.75928	0.2
65.84877	0.2
67.01869	1.0
68.99775	0.5
69.03424	3.0
70.00066	0.5
70.00477	0.7
71.01391	0.2
71.04993	1.0
79.05496	1.2
81.03415	5.1
83.93640	0.2
85.02896	2.6
87.00821	0.9
89.03915	6.4
90.58517	0.2
95.04952	0.3
97.02894	2.7
99.04448	1.6
105.01855	0.2
107.04950	2.1
109.02135	0.4
109.02876	7.2
109.33670	0.2
114.92860	0.2
117.03378	7.9
127.03905	5.3
129.01831	0.6
135.04410	19.0
136.04718	0.2
145.02838	12.4
146.03053	0.2
163.03896	100.0
164.04248	1.3
173.37619	0.2
181.04915	1.7
186.05452	0.4
213.03951	0.4
247.06047	0.3
265.28604	0.2
271.06049	0.2
285.83713	0.2
307.08087	2.2
325.09216	0.2
393.08356	1.0
411.09210	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	411.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03941	1.7
56.98947	0.2
57.03437	0.3
61.02911	0.2
62.01566	0.2
63.02374	0.4
67.01862	1.0
68.99787	0.4
69.03431	3.2
71.04988	1.1
71.32874	0.5
71.55677	0.2
79.05492	1.2
81.03417	5.1
85.02908	2.9
87.00825	0.7
89.03915	6.1
95.04968	0.4
97.02892	3.0
99.04453	1.2
107.04962	2.3
109.02885	7.6
115.09350	0.2
117.03378	8.6
122.26393	0.2
127.03922	5.1
129.01813	0.6
135.04417	19.4
136.04767	0.3
145.02846	13.6
147.02888	0.3
163.03903	100.0
164.04233	1.2
181.04961	2.0
186.05478	0.4
211.07784	0.2
213.04054	0.2
288.84506	0.2
305.86401	0.2
307.08139	2.7
369.03036	0.2
393.08173	1.0
411.09262	4.2
412.09772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01882	1.9
55.05500	7.1
56.05042	1.9
57.03420	3.0
58.06590	6.1
61.02921	4.2
67.05491	5.5
69.03426	10.7
69.07059	6.4
70.06596	62.2
70.13422	1.7
71.04993	17.2
71.10968	5.0
73.06542	2.5
79.05474	7.0
81.03423	4.5
81.07056	31.9
83.04974	7.3
85.02906	24.5
85.06534	3.5
86.06029	3.4
86.09720	2.0
87.04497	2.8
88.07629	23.5
91.05443	2.7
93.07027	5.2
95.04930	2.3
95.08578	6.4
96.08138	7.1
97.02886	12.7
97.06509	6.9
97.10164	2.1
98.09698	9.7
99.08118	2.6
100.07603	3.9
105.07049	3.1
107.08601	16.9
108.08141	11.5
109.02890	4.1
109.06496	4.4
109.10154	17.1
110.09689	2.7
111.08137	1.9
113.05892	1.9
113.09634	2.5
120.08104	5.0
121.10139	3.2
122.09647	8.0
123.08075	2.4
123.11716	14.5
124.11234	6.6
125.09599	9.4
126.09113	2.5
127.03911	5.0
133.10126	3.2
138.12766	4.1
139.11189	15.4
143.10692	18.5
144.43794	1.8
145.04947	2.4
150.12781	8.3
151.11208	21.1
153.12756	3.5
157.12221	2.2
163.03857	3.8
167.06773	1.9
168.13823	5.0
169.12279	17.3
182.14038	1.7
182.15395	11.5
186.14891	6.9
187.13306	2.8
189.55501	1.9
194.15407	10.5
200.16380	4.9
204.15952	6.3
212.16478	57.4
230.17505	40.6
248.18571	79.8
294.40851	2.1
366.21103	4.4
374.21637	2.5
392.22760	19.1
410.18781	5.8
410.23773	56.4
411.16260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01858	0.5
55.05511	1.1
57.03435	0.8
59.06119	0.4
61.02938	0.5
67.05510	1.2
68.72915	0.4
69.03442	2.1
69.07072	0.9
70.06606	0.5
70.12749	1.4
70.13154	0.6
71.04973	1.3
77.03902	0.4
81.03425	1.1
81.07063	3.2
83.08631	1.0
85.02914	3.7
87.09233	0.4
91.05479	1.2
93.07040	1.1
93.50618	0.4
95.04977	1.1
95.08614	1.6
97.02920	2.0
97.06536	0.8
97.10179	0.4
99.04489	0.6
105.01852	0.4
105.03409	0.7
105.06997	0.5
107.08601	0.4
108.60938	0.5
109.02900	0.9
109.06555	1.0
109.10175	0.7
117.07069	0.6
119.08562	1.2
120.08131	0.4
123.04439	100.0
124.04771	2.5
124.07592	0.8
126.09167	37.2
127.03922	1.5
127.09525	1.2
135.04399	0.5
135.11681	1.7
145.04956	0.8
145.12259	1.4
147.08066	1.2
149.13184	0.4
153.12759	1.2
158.10535	0.4
163.03911	2.2
165.05450	0.5
195.13780	0.6
203.05272	0.7
209.71039	0.4
213.14864	6.8
231.15895	1.0
248.12843	99.1
249.13127	4.9
285.81683	0.4
292.67282	0.4
301.14081	0.4
410.17746	0.5
411.14810	0.7
411.19867	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	410.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.1
53.03944	1.5
55.01867	0.4
56.64404	0.1
57.03414	0.4
60.66798	0.1
61.02921	0.4
63.02375	0.4
67.01865	1.2
67.05505	0.5
67.10616	0.2
68.99790	0.3
69.03426	4.6
69.07082	1.0
70.06573	0.3
71.01362	0.2
71.04990	1.6
71.59083	0.2
73.02916	0.2
73.29943	0.1
79.05492	1.2
81.03413	6.1
81.07052	0.4
83.01306	0.1
84.04506	0.2
85.02902	9.1
86.09705	0.3
87.00829	0.9
87.04465	0.2
89.03915	6.7
91.05482	0.9
93.07046	0.6
95.04962	0.5
95.08634	0.2
97.02279	0.3
97.02888	5.3
97.06480	0.2
98.62992	0.1
99.04455	5.6
101.02333	0.1
103.03940	8.4
103.17103	0.2
105.01848	0.2
107.04953	2.3
107.08619	0.2
109.02878	9.4
109.10146	1.4
117.03374	8.1
119.04910	0.2
119.08553	0.2
120.08059	0.2
121.10127	0.3
127.03913	12.9
127.11186	2.0
129.01982	0.2
131.08585	0.2
133.10130	0.2
134.03600	0.4
135.04413	19.7
135.11707	0.2
137.02367	0.3
137.09618	0.2
142.12312	0.1
145.02850	12.4
145.04929	5.3
147.04413	0.6
147.08043	0.3
148.04703	0.3
149.09624	0.3
153.01813	0.2
153.09155	0.1
158.06027	0.2
163.03902	100.0
163.05856	6.4
165.09076	0.3
169.04903	0.2
177.09099	0.4
181.04951	1.5
186.05513	0.5
187.05972	0.5
195.10091	0.5
195.13684	0.2
205.07077	0.2
213.11238	0.2
213.14780	0.7
246.14897	0.2
255.12228	0.2
271.08054	0.8
289.09283	0.7
303.05008	0.4
307.08054	2.2
307.10568	1.0
325.09122	0.3
377.01782	0.3
393.08286	0.9
395.02686	0.3
411.09244	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	409.3829
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.56672	8.6
55.05502	20.3
57.07074	12.1
67.05486	37.5
69.07066	30.2
71.59917	10.0
77.49621	7.6
79.05482	26.2
81.07058	93.8
83.08610	20.0
91.05466	23.9
91.52983	7.7
93.07044	54.7
95.08607	100.0
105.07023	27.1
107.08583	54.2
109.10146	82.5
119.08572	22.7
121.10130	99.7
123.11689	34.6
133.10136	34.2
135.11716	56.4
137.13248	15.0
147.11714	16.2
149.13240	35.1
163.14838	11.0
175.14749	11.5
177.16420	26.8
187.11180	8.7
189.16422	12.7
191.17946	15.0
203.17952	29.0
205.19545	60.7
217.19521	30.9
285.25751	8.3
364.84927	9.3
366.32739	10.8
392.69141	9.8
409.38501	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.03423	0.4
61.02911	0.5
64.28469	0.2
69.03421	1.6
71.24087	0.5
71.24461	0.3
73.02900	0.3
77.99633	0.2
81.03413	1.0
85.02899	2.2
85.43899	0.2
86.09704	0.3
87.04472	0.7
91.05481	0.2
97.02899	1.0
99.04468	0.4
109.02897	0.3
115.03928	0.3
119.04950	0.8
126.77140	0.2
127.03929	0.6
133.05107	0.7
136.06155	0.4
147.04381	1.7
147.06674	0.6
157.05179	0.4
160.06209	2.3
173.07025	0.4
174.07761	4.0
175.06192	0.5
176.05719	0.3
186.03000	0.4
202.07245	3.0
203.05640	0.4
204.05180	0.7
213.04109	0.7
218.06787	0.8
230.06737	100.0
231.07031	2.7
248.07797	21.5
249.08080	0.8
260.07855	0.4
315.92728	0.2
362.10992	0.3
410.13058	11.9
411.13156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3828
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
52.39093	2.0
53.03940	3.8
55.05511	26.0
55.33627	2.2
57.07078	17.2
59.05000	3.0
67.05502	30.6
69.03404	3.7
69.07066	45.1
70.53323	7.5
71.08620	4.1
77.03918	2.4
79.05051	3.2
79.05486	23.8
81.07056	100.0
83.04997	4.7
83.08626	20.6
86.09705	2.3
91.05470	29.2
93.07043	53.8
95.04964	33.4
95.08607	80.8
97.06517	8.4
97.10171	9.2
99.08084	2.5
103.05427	2.5
105.07028	66.7
107.08592	54.6
109.06525	9.2
109.10153	63.6
111.11711	7.2
117.07027	9.7
119.08580	53.8
121.06480	10.9
121.10152	44.1
123.08043	13.0
123.11696	28.9
129.07016	5.7
130.07762	4.0
131.08580	18.3
133.06488	2.5
133.10141	34.3
135.08049	9.4
135.11697	26.0
137.09636	7.6
137.13246	20.4
142.07797	9.3
143.08595	16.0
143.24701	2.0
144.09401	3.0
145.10120	35.2
146.10524	2.8
147.08051	7.5
147.11690	38.5
149.09619	7.7
149.13251	21.2
151.07596	14.6
151.14815	5.6
155.08591	7.5
156.09364	6.1
157.10132	22.1
159.08051	4.5
159.11676	20.3
161.09618	6.1
161.13248	17.8
163.11198	2.5
163.14830	13.1
165.09123	19.5
168.09439	2.6
169.10135	6.5
169.43492	2.8
171.11720	8.4
173.09604	6.5
173.13205	14.7
175.11243	11.4
175.14812	12.8
177.09328	2.3
177.16402	11.2
181.10124	5.1
183.11752	9.8
185.13280	6.5
187.14838	10.5
189.12730	4.9
189.16345	10.7
191.17984	8.6
195.11668	2.8
197.13258	3.6
199.14792	3.5
201.12775	6.2
201.16502	7.3
203.14365	7.3
203.17931	11.2
205.19629	7.3
207.13829	3.2
209.13371	2.3
209.15359	4.3
211.14886	6.3
213.16428	2.5
215.17993	6.4
216.15175	2.2
217.19560	9.0
221.15379	41.1
222.15611	2.7
225.16365	4.1
229.15944	5.3
229.19545	7.0
231.21103	7.4
234.16260	5.6
241.19519	3.9
245.22679	2.8
257.22656	4.6
259.24237	5.1
271.24246	5.5
285.25833	5.7
286.19153	2.7
287.20032	6.1
299.27466	4.6
325.28879	2.4
327.30380	2.9
329.20938	3.3
353.32001	3.9
379.00461	2.5
391.20718	2.7
391.26404	3.6
409.27286	43.5
409.34161	3.3
409.38400	85.3
410.27487	5.0
410.38821	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	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66153	2.4
55.05499	9.8
56.96564	6.7
57.07072	2.9
65.03925	3.6
67.05514	20.2
69.07061	19.9
70.34056	2.6
71.60557	4.3
79.05479	16.9
79.34966	2.7
81.07056	42.2
83.04965	2.9
83.08618	11.6
91.05499	19.7
93.07048	39.8
95.04978	4.0
95.08617	64.6
97.06516	4.6
97.10160	6.7
102.57225	2.5
105.07036	44.2
107.08591	58.8
108.70384	3.4
109.10159	38.9
114.59702	3.1
119.07794	3.8
119.08584	43.5
121.06494	4.0
121.10141	39.4
123.11697	14.9
130.96037	2.7
131.08572	10.7
133.10120	39.9
135.08058	8.3
135.11694	28.4
137.13274	4.9
143.08540	4.8
145.10129	21.8
147.11714	25.4
149.09685	3.7
149.13277	32.3
155.08476	4.2
157.10129	8.5
159.11710	15.6
161.13297	17.4
163.11227	7.6
163.14816	29.4
171.11620	4.5
173.13290	8.3
175.11197	7.0
175.14839	21.6
177.12791	6.5
177.16393	29.3
179.14276	3.1
185.13261	3.2
187.14853	24.5
189.16373	29.2
190.13591	5.3
191.17993	12.2
199.14868	4.9
201.16356	11.1
203.16023	4.7
203.17957	96.8
205.15880	39.2
205.19539	5.5
213.16345	5.2
215.18015	6.5
217.19476	7.5
219.17543	3.4
221.15289	3.2
223.55688	2.9
227.18028	6.2
229.07442	5.2
229.19571	4.4
231.09189	3.8
231.17438	9.9
233.18893	3.5
247.08492	3.9
255.21130	3.8
267.21048	5.5
281.22803	3.9
349.16928	10.2
367.17883	4.9
391.33609	20.4
402.32516	2.8
409.26178	27.2
409.34653	100.0
410.35077	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.05497	12.2
56.96557	5.4
57.07074	4.7
60.15150	2.8
67.05503	22.6
69.07067	23.2
71.05000	3.2
71.59709	4.2
79.05497	14.2
81.03419	3.7
81.07060	48.5
83.04989	4.8
83.08614	10.5
85.06553	3.4
91.05483	19.8
93.07057	35.0
95.04986	4.7
95.08613	77.0
97.06532	5.7
97.10187	5.4
105.07037	37.1
107.08601	54.5
109.06487	3.4
109.10164	44.5
109.83143	3.1
111.11749	3.0
115.96581	2.7
119.08585	35.4
121.10155	40.3
123.11718	14.5
131.08572	11.9
133.10135	38.0
135.08073	8.7
135.11699	22.5
142.07809	2.9
143.08571	4.5
145.10114	19.9
147.08057	3.6
147.11700	26.3
149.13295	32.9
157.10136	8.6
159.11699	13.4
161.09656	3.6
161.13255	16.3
163.11180	10.4
163.14850	26.4
171.11674	6.4
173.13290	9.6
175.11137	3.4
175.14853	27.6
177.12756	5.0
177.16389	32.8
183.11646	3.7
187.14819	25.0
189.16380	23.0
191.17978	12.9
197.13336	3.4
201.16377	12.9
203.14171	3.4
203.16049	4.6
203.17964	84.2
205.15855	35.0
205.19576	8.8
213.16466	6.5
215.17967	5.7
217.15721	5.2
217.19531	6.9
219.17516	5.3
229.19591	4.2
231.17342	6.6
241.19426	3.5
253.19568	3.2
253.37286	3.5
255.21136	5.7
391.33606	23.9
405.15555	4.1
409.09137	3.8
409.18945	4.5
409.27158	5.9
409.34656	100.0
410.35016	8.1
432.21973	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.05497	12.2
56.96557	5.4
57.07074	4.7
60.15150	2.8
67.05503	22.6
69.07067	23.2
71.05000	3.2
71.59709	4.2
79.05497	14.2
81.03419	3.7
81.07060	48.5
83.04989	4.8
83.08614	10.5
85.06553	3.4
91.05483	19.8
93.07057	35.0
95.04986	4.7
95.08613	77.0
97.06532	5.7
97.10187	5.4
105.07037	37.1
107.08601	54.5
109.06487	3.4
109.10164	44.5
109.83143	3.1
111.11749	3.0
115.96581	2.7
119.08585	35.4
121.10155	40.3
123.11718	14.5
131.08572	11.9
133.10135	38.0
135.08073	8.7
135.11699	22.5
142.07809	2.9
143.08571	4.5
145.10114	19.9
147.08057	3.6
147.11700	26.3
149.13295	32.9
157.10136	8.6
159.11699	13.4
161.09656	3.6
161.13255	16.3
163.11180	10.4
163.14850	26.4
171.11674	6.4
173.13290	9.6
175.11137	3.4
175.14853	27.6
177.12756	5.0
177.16389	32.8
183.11646	3.7
187.14819	25.0
189.16380	23.0
191.17978	12.9
197.13336	3.4
201.16377	12.9
203.14171	3.4
203.16049	4.6
203.17964	84.2
205.15855	35.0
205.19576	8.8
213.16466	6.5
215.17967	5.7
217.15721	5.2
217.19531	6.9
219.17516	5.3
229.19591	4.2
231.17342	6.6
241.19426	3.5
253.19568	3.2
253.37286	3.5
255.21136	5.7
391.33606	23.9
405.15555	4.1
409.09137	3.8
409.18945	4.5
409.27158	5.9
409.34656	100.0
410.35016	8.1
432.21973	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	26.1
57.07074	13.0
67.05492	14.7
69.07072	25.2
71.08616	10.8
71.49676	7.2
79.05476	10.0
81.07070	22.5
83.08614	68.8
91.05482	10.2
93.07037	11.5
95.08624	21.1
97.06513	3.8
97.10165	13.2
105.07011	13.2
107.08590	18.2
109.10159	9.2
119.08561	11.4
121.10146	7.6
131.08574	16.9
133.10129	12.2
135.11728	8.3
143.08508	8.6
145.10112	27.0
147.11690	8.6
149.13277	5.1
155.08559	5.7
157.10124	18.1
159.11699	12.3
161.13373	4.7
163.11090	4.2
171.11673	8.0
174.73019	3.4
183.11729	5.2
185.13341	10.1
187.14812	47.8
189.16447	5.5
191.17953	7.5
197.13300	3.6
199.14876	7.9
201.16301	4.3
205.15868	13.9
213.16431	6.7
223.14757	6.7
231.17412	4.2
237.16354	8.4
251.17946	9.6
257.18958	4.6
269.18979	7.8
271.20618	6.9
297.25555	8.7
340.70444	4.0
391.33594	11.6
409.34662	100.0
410.35034	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92519	1.1
53.03952	1.6
55.05502	11.8
57.03421	1.3
57.07069	3.1
58.51697	1.1
62.79065	1.1
67.05503	22.2
69.06711	2.2
69.07064	25.4
69.57146	2.2
69.57549	7.8
79.05489	17.4
81.03418	1.4
81.07053	47.0
83.04971	2.4
83.08614	10.6
84.04518	1.4
85.02892	1.6
88.29762	1.1
91.05476	16.8
92.06268	1.2
93.06469	2.5
93.07042	43.0
93.43004	1.1
95.04958	3.0
95.08602	84.9
96.08909	2.1
97.06519	1.7
97.10164	6.3
105.07035	41.5
107.08591	63.9
108.08961	2.0
109.06516	3.8
109.10154	52.3
111.08078	2.3
111.11735	1.8
117.07033	4.1
119.08582	46.3
121.06512	2.4
121.10140	53.5
122.10484	1.1
123.08024	2.3
123.11705	15.2
129.06950	1.4
131.08557	11.2
133.10124	40.8
135.08041	10.1
135.11691	25.7
137.09630	3.0
137.13242	4.9
143.08562	4.7
144.09285	1.3
145.10121	23.6
147.11693	28.5
149.09636	3.5
149.13252	41.3
150.13615	1.8
151.11250	1.5
151.14825	1.7
157.10161	6.4
159.11716	16.6
161.09625	3.0
161.13243	19.3
163.03989	1.7
163.11177	9.9
163.13412	1.8
163.14807	36.6
163.16081	2.5
165.09212	1.5
165.12816	1.7
165.16400	1.7
169.10129	1.5
170.10942	1.2
171.11673	5.6
172.12488	1.6
173.13290	10.5
175.11198	5.0
175.14819	26.6
177.12862	7.0
177.16383	39.7
178.16635	1.5
183.11649	2.0
185.13278	3.4
187.14807	30.3
187.16422	1.6
189.12758	2.0
189.16371	31.9
190.13484	2.8
190.16655	1.6
191.14355	1.3
191.17947	15.0
197.13289	1.2
199.14824	3.7
201.16362	11.7
203.14340	5.4
203.17953	88.6
204.18282	3.3
205.15868	37.5
205.19432	7.2
207.17491	1.9
211.14998	1.7
213.16452	6.3
215.17917	10.1
217.15881	3.7
217.19487	9.2
219.17386	6.9
225.16432	1.9
227.17989	4.3
229.19533	4.7
231.17433	9.3
231.21085	3.7
233.19057	4.0
239.18025	1.3
241.19565	4.8
243.21144	3.3
245.18999	5.8
253.19466	2.2
255.21057	3.4
257.22580	1.4
259.20602	3.6
267.21045	3.7
267.93353	1.3
269.22614	2.0
271.20328	1.3
281.22891	2.3
285.22061	2.1
335.27292	1.4
351.30533	2.2
381.35287	5.6
391.33618	24.9
392.33966	1.5
409.34659	100.0
410.35092	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	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03944	5.4
55.01882	3.1
55.05511	15.4
57.07087	9.7
59.05000	3.3
62.98727	2.0
63.96311	2.3
65.03915	3.7
67.05499	24.1
69.03411	6.4
69.07076	9.7
69.27737	25.1
71.04975	1.8
79.05491	29.0
81.07056	36.0
83.04973	6.1
83.08603	3.4
84.96014	2.1
85.06527	2.2
91.05483	40.6
93.06472	3.4
93.07039	48.4
95.04967	65.5
95.08606	33.2
97.06517	8.4
103.05454	4.4
105.04441	1.9
105.07032	100.0
107.04916	3.2
107.08593	23.2
109.06513	13.8
109.10143	8.6
111.08055	4.1
115.05427	4.9
116.06183	2.2
117.07034	14.7
119.04931	2.3
119.08578	67.9
121.06502	20.4
121.10139	17.9
123.08059	21.5
125.05995	3.9
125.09647	2.5
128.06198	6.5
129.06975	7.6
130.07759	6.5
131.08569	27.8
133.06474	6.5
133.10123	22.4
135.08035	13.6
135.11662	5.7
137.05974	2.7
137.09625	11.5
139.11140	2.6
141.06995	5.0
142.07777	12.6
143.08534	17.2
144.09315	3.7
145.09027	3.8
145.10117	44.2
147.08020	17.7
147.11688	35.9
149.09647	10.6
151.07549	22.8
153.07010	2.8
153.09143	2.7
154.99919	2.2
155.08549	11.1
156.09308	6.0
157.10135	29.7
159.08038	7.1
159.11678	15.6
160.08836	3.0
161.09612	11.1
161.13264	5.4
161.14667	2.2
163.11182	5.9
165.07004	3.2
165.09119	33.3
167.08589	5.4
168.09331	5.1
169.10089	14.6
170.10815	3.1
171.11682	12.3
173.09567	5.0
173.13295	8.4
175.11211	30.3
176.53398	2.0
177.09071	3.2
178.09843	2.9
179.08519	2.8
181.10170	5.9
181.12253	4.8
182.10941	2.7
183.11678	11.2
185.13258	7.2
187.11194	5.4
187.14912	3.1
189.12685	7.0
191.14276	3.4
193.10031	3.3
194.10878	2.6
195.11726	5.4
196.12488	2.5
197.13234	4.8
198.10426	2.2
199.11182	3.1
201.12708	9.1
201.16371	3.2
203.14313	13.6
207.11914	3.3
207.13817	11.0
209.13225	6.1
209.15190	4.0
211.14746	5.5
213.12714	3.6
215.14308	2.6
219.13739	3.3
221.15355	92.9
222.15742	4.1
223.14819	6.6
225.16278	2.7
229.15869	5.9
233.15321	5.0
234.16199	12.8
235.14810	5.3
241.15761	2.5
247.14799	2.2
249.16200	2.7
253.15886	4.5
269.19022	2.1
286.19186	4.3
287.20026	8.7
300.20847	5.9
329.21103	9.8
333.39359	2.1
373.25186	2.5
391.26251	7.3
409.12704	7.0
409.27359	61.2
410.13370	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29757	1.9
53.03944	3.0
55.01860	3.5
55.05514	20.3
57.07066	7.2
59.05002	4.5
65.03956	2.9
67.05508	19.1
69.03417	7.2
69.07055	10.3
70.53196	6.2
70.53548	4.4
79.05496	21.7
81.07049	33.1
83.04996	4.8
83.08610	8.1
85.06535	3.8
91.05479	34.5
93.07043	44.2
95.04972	51.6
95.08601	33.4
97.06515	7.2
97.10175	3.0
103.05481	3.5
103.94225	2.1
105.07032	100.0
107.08594	32.5
109.06487	12.1
109.10143	10.6
111.08051	3.4
115.05425	3.3
117.07011	16.6
119.03455	2.1
119.04900	2.8
119.08580	74.8
121.06516	17.2
121.10146	19.8
123.08096	17.9
123.11729	2.4
125.68638	2.0
128.06221	4.7
129.06992	8.1
130.07780	5.3
131.08560	21.9
133.06482	4.7
133.10152	22.1
135.08043	15.9
135.11679	6.9
137.09612	7.9
141.07031	3.4
142.07745	13.1
143.08560	17.1
144.09338	4.4
145.10129	38.9
147.08031	17.1
147.11688	39.1
148.11948	2.5
149.09633	13.9
151.07536	17.2
153.09093	3.1
155.08575	8.0
156.09370	3.8
157.10126	24.6
158.10835	2.3
159.08083	5.4
159.11757	14.2
161.09601	7.5
161.13234	7.8
163.11147	6.5
165.09116	27.2
167.08548	4.4
169.10150	7.7
171.11647	13.3
173.09595	4.7
173.13222	11.1
175.11186	39.4
177.09108	5.4
178.09955	2.8
179.08633	2.8
179.10596	2.8
181.10228	5.1
183.11661	11.9
185.13274	6.7
187.11198	4.1
187.14818	4.8
189.12666	7.7
194.10883	3.2
195.11710	4.0
199.11140	4.3
199.14917	3.6
201.12750	12.8
201.16357	3.8
203.14352	11.4
207.11859	4.0
207.13806	7.9
209.13251	4.8
209.15242	3.8
211.14822	9.3
215.17941	2.6
219.13751	5.8
221.13507	3.2
221.15364	80.4
222.15611	2.3
229.15826	3.9
231.13918	4.1
233.15308	4.4
234.16136	18.8
241.15694	2.9
253.15749	3.5
286.19449	4.2
287.19952	9.4
300.20743	6.1
329.21014	6.5
391.26111	6.5
409.27261	62.7
409.34695	8.6
410.27570	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	34.5
56.35302	4.1
57.07064	17.9
59.04997	5.0
65.03943	4.4
67.05511	43.3
69.03428	9.1
69.07065	30.8
71.08607	5.5
71.59795	7.4
79.05504	25.3
81.07061	80.3
83.04954	8.0
83.08611	21.1
88.91475	5.2
91.05494	46.2
93.07045	66.4
95.04966	49.9
95.08603	67.3
97.06517	11.3
97.10166	12.8
105.07024	100.0
107.08593	41.7
109.06503	18.2
109.10143	51.9
117.07038	11.0
119.08576	61.0
121.06505	18.2
121.10129	33.3
123.08085	15.2
123.11691	15.6
128.06273	5.6
129.06940	7.8
131.08574	31.0
132.01961	5.0
133.10121	34.7
135.08029	14.2
135.11700	16.5
137.09621	12.5
137.13300	8.1
141.06967	6.4
142.07716	12.8
143.08545	21.0
145.10120	48.0
147.08043	16.3
147.11664	39.7
149.09630	11.3
149.13240	9.4
151.07562	22.2
155.08578	10.9
157.10132	28.6
159.11678	20.2
161.09688	9.8
161.13228	10.4
163.11151	7.6
165.09087	29.1
167.08623	5.0
169.10139	14.5
169.44838	4.8
171.11673	19.5
173.09612	8.3
173.13234	11.6
175.11209	27.9
175.14861	5.9
181.10155	7.5
183.11697	15.5
184.12521	5.2
185.13217	10.5
187.11247	5.2
187.14825	11.3
189.12808	6.4
191.17941	5.6
195.11716	6.4
197.13199	5.4
199.11211	5.9
199.14867	5.5
201.12669	10.5
201.16467	7.1
203.14294	11.8
207.13809	10.1
209.13326	5.7
209.15295	5.2
211.11212	5.0
211.14857	11.3
213.12822	5.5
213.16414	6.7
215.17851	6.3
217.15759	5.2
219.13879	6.7
221.13361	6.7
221.15376	71.2
229.15840	7.6
234.16101	13.3
253.15836	6.1
287.19965	11.6
329.20724	6.2
333.09940	5.1
353.21075	6.3
391.26062	10.0
409.27240	78.6
409.33499	23.9
409.38687	23.0
410.27832	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01842	2.4
55.05505	20.2
57.07065	6.2
58.49075	1.7
59.05008	2.2
60.46043	1.9
65.03932	2.9
67.02447	1.5
67.05498	19.3
69.03417	7.6
69.07058	7.0
69.55915	3.5
69.56319	11.7
69.74361	1.8
75.08472	1.6
77.03942	2.3
79.05493	20.8
81.07055	39.3
83.04972	4.3
83.08619	2.9
85.06548	4.0
90.87362	1.6
91.05479	38.0
92.92943	1.6
93.06471	3.0
93.07044	47.6
95.04968	53.6
95.08611	31.2
97.06519	7.4
103.05441	2.3
103.23335	1.9
104.55595	1.5
105.07032	100.0
107.04968	2.9
107.08601	26.1
109.06501	11.8
109.10173	9.3
110.41568	1.6
113.94184	1.6
115.05419	4.0
116.06250	1.9
117.07019	14.6
119.04865	2.4
119.08578	65.0
121.06510	18.4
121.10155	15.3
123.08068	17.9
123.11701	1.6
125.31363	1.8
128.06236	5.0
129.06992	9.0
130.07797	3.0
131.08559	23.9
132.09283	2.0
133.06491	4.0
133.10139	22.3
135.08086	11.8
135.11690	4.4
137.09615	8.2
141.07005	3.5
142.07793	11.0
143.08574	13.5
144.09296	3.0
145.06512	2.5
145.10114	38.7
147.08018	15.5
147.11679	43.6
147.12798	3.1
149.09587	11.6
149.48265	2.0
151.07538	19.1
153.09113	2.5
155.08609	8.9
156.09306	3.0
157.10143	20.7
159.08047	6.1
159.11664	16.0
160.08791	2.3
161.09589	7.9
161.13272	8.8
163.11136	3.3
165.06952	3.5
165.09125	32.6
165.45799	1.8
167.08536	3.1
168.09326	5.1
169.10136	9.8
170.10954	3.0
171.11678	11.5
173.09651	5.7
173.13251	7.6
175.11198	36.8
175.14699	2.1
177.09174	4.3
178.09840	2.4
179.08533	2.3
181.10106	5.6
183.11676	13.1
185.09598	3.0
185.13187	4.8
187.11162	5.8
187.14827	2.9
189.12749	6.6
191.10564	2.0
191.14297	2.3
193.10336	2.3
195.11722	4.3
196.12451	2.3
197.13277	3.7
199.11130	3.4
199.14775	4.0
200.12086	2.5
201.12726	12.9
201.16373	4.0
203.14304	14.6
207.11932	2.7
207.13766	9.4
209.13242	5.3
209.15257	4.0
211.14799	5.5
213.12854	2.7
215.14406	4.0
216.15089	2.6
219.13809	7.7
221.15364	79.6
222.15727	4.2
223.14694	2.2
229.15929	5.2
232.71739	1.9
233.15398	2.6
234.16171	16.0
235.16660	2.2
249.16498	1.9
253.15950	3.4
263.18045	2.2
282.19745	2.7
286.19016	3.8
287.20087	6.9
300.20810	4.9
329.21048	7.8
391.26236	7.8
409.27347	56.2
410.27777	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.96560	0.7
67.05486	1.0
69.07058	0.7
69.85991	1.3
69.86405	0.9
70.67178	0.4
79.05463	0.6
81.07036	1.5
91.05463	0.7
93.07030	1.4
95.08591	2.4
98.20870	0.5
105.07016	1.0
107.05003	0.3
107.08574	2.4
109.10129	1.3
119.08598	1.2
121.10130	1.6
126.13112	0.3
127.71323	0.4
131.08519	0.4
133.10117	1.2
135.08051	0.4
135.11707	0.6
142.31216	0.4
145.10120	0.5
147.11658	1.0
149.13275	1.2
150.92477	0.3
153.47252	0.3
159.11646	0.6
161.13210	0.4
163.03920	1.6
163.14766	0.9
173.13225	0.5
177.16393	0.5
186.55879	0.3
187.14845	1.1
189.16396	0.8
190.43904	0.4
191.17938	0.4
201.16417	0.5
203.17969	2.7
205.15849	0.7
217.19540	0.3
267.41956	0.4
295.15179	0.9
309.16772	0.7
349.16840	1.0
391.33475	0.9
409.25598	100.0
409.34561	3.2
410.25797	4.2
410.29709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05495	1.0
64.10406	0.2
64.13473	0.2
67.05498	1.8
69.07061	1.7
71.59792	0.3
71.60171	0.4
74.79752	0.2
79.05478	1.1
81.07059	3.1
83.04958	0.3
83.08592	1.2
91.05472	1.1
93.07032	2.7
95.04891	0.3
95.08604	5.3
97.10167	0.4
100.11234	0.5
101.75959	0.2
105.07032	2.6
107.08592	4.4
108.20415	0.3
109.06511	0.3
109.10149	2.7
119.08571	2.3
121.10139	3.5
123.08071	0.3
123.11679	1.2
130.84200	0.3
131.08566	0.5
133.10129	2.7
135.08031	0.5
135.11681	2.0
137.13257	0.4
145.10127	1.4
147.11665	1.8
149.13260	3.1
151.11153	0.3
157.10181	0.3
159.11694	1.1
161.13254	1.2
162.69949	0.2
163.03941	0.7
163.11150	0.8
163.14818	2.1
165.16516	0.3
168.41328	0.2
171.11703	0.3
173.13338	0.4
175.11195	0.4
175.14810	1.6
176.31586	0.3
177.12877	0.5
177.16391	2.3
185.13242	0.3
187.14857	1.7
189.16391	2.2
190.13560	0.3
191.17915	1.2
199.14841	0.3
201.16370	0.7
203.17946	7.0
205.15910	2.4
207.06511	0.4
215.17976	0.7
217.15942	0.3
217.19525	0.5
219.17442	0.6
229.19571	0.4
231.17543	0.4
251.99115	0.3
267.21042	0.5
275.28165	0.3
279.60974	0.3
295.15176	0.8
309.16718	0.4
331.12350	0.3
381.35226	0.5
391.33374	1.9
409.25601	100.0
409.34598	7.7
410.25885	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	409.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17873	2.6
53.03930	4.6
55.01865	3.3
55.05509	13.0
57.03426	4.2
57.07076	10.8
61.02921	4.9
68.99756	2.8
69.03420	21.9
69.07063	100.0
69.53371	18.4
71.04996	2.9
73.02911	2.4
79.81516	2.0
80.51749	2.0
81.03410	14.3
81.07032	2.9
83.01317	2.2
83.08139	3.3
83.08612	40.6
85.02431	3.3
85.02906	47.0
85.38128	2.2
87.00828	26.0
91.05463	4.0
95.08566	2.5
97.02880	22.3
98.20749	4.4
99.04402	5.1
105.01857	38.7
109.02845	10.8
115.19976	2.3
119.08527	2.6
125.13255	9.1
127.03913	35.8
137.05984	2.8
142.51799	2.2
143.14304	51.8
145.04984	11.8
159.02870	5.7
161.15393	3.2
231.04991	10.0
246.11272	2.7
247.11685	7.0
349.10260	3.0
409.16708	2.3
429.44125	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01867	3.1
55.05512	15.3
57.03425	3.2
57.07088	13.6
61.02927	5.3
61.83019	2.7
67.05502	6.8
69.03431	21.8
69.07069	100.0
69.63074	7.9
69.63506	11.5
73.02916	5.8
75.88702	2.4
79.05504	3.6
81.03424	14.1
81.07041	3.9
83.08617	43.4
85.02908	57.6
86.09667	2.5
87.00826	28.6
87.56104	2.1
93.07062	3.7
95.08584	3.5
97.02891	20.2
97.06514	5.3
99.04472	5.8
105.01868	36.8
105.07050	2.7
109.02879	13.2
125.13263	10.5
127.03904	31.4
133.45935	2.5
143.14314	68.6
145.04970	11.2
147.04393	5.4
159.02893	3.0
159.11665	2.9
161.15352	3.5
169.17914	3.5
176.70534	2.6
180.01680	2.3
184.07426	2.5
187.85759	3.3
192.54971	2.2
197.02934	4.8
202.66910	2.3
203.40128	2.8
221.23981	2.5
231.04976	6.0
245.04993	5.4
250.31654	2.6
306.08719	3.1
334.08994	4.1
349.10803	6.0
405.44431	2.9
432.14084	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
56.96556	1.7
61.02934	1.0
67.05499	1.6
69.03417	2.7
69.07063	1.3
70.06572	0.7
71.15418	1.5
81.03432	1.0
81.07068	2.6
85.02903	5.9
86.03211	0.8
86.09719	0.9
87.04435	0.9
87.10036	1.0
91.05473	3.3
91.85972	0.7
92.05811	1.2
93.07033	1.7
95.08611	2.7
97.02884	2.5
98.97585	4.3
105.07039	2.1
106.07432	0.9
107.08602	2.5
107.66679	0.8
109.02910	0.9
109.10152	1.4
116.01669	0.9
116.98611	2.2
119.08570	4.3
120.08944	0.8
121.10119	1.0
123.11650	1.1
127.03936	2.1
128.87610	0.8
131.08543	0.9
133.10107	5.1
135.11681	2.5
137.09625	1.8
145.05052	0.8
145.10016	1.1
147.11674	1.7
158.99619	1.5
162.02219	1.1
175.14824	7.1
176.15189	1.7
177.00758	2.4
177.92654	0.9
189.12753	0.9
192.83133	0.7
193.15999	1.3
206.08852	2.0
211.06459	1.5
212.13591	1.1
213.07794	1.2
213.57852	1.4
214.06670	1.5
215.09331	1.4
221.05186	0.8
222.08328	1.4
222.58444	1.5
223.06436	3.7
223.08490	0.8
227.08125	0.9
237.02853	1.9
239.02440	0.8
241.07428	1.9
247.06631	1.1
263.11453	1.2
265.07516	1.9
283.08508	1.7
296.73672	0.8
309.13882	1.2
331.09503	0.9
367.10791	3.1
409.18369	100.0
410.18790	5.1
411.16882	1.6
425.14911	1.1
427.12708	5.9
428.13174	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.6
55.01867	5.2
57.03433	5.6
61.02915	6.2
67.05535	1.8
69.03426	58.2
70.06567	2.3
70.52518	4.6
71.01344	1.9
71.04986	7.3
73.02898	4.9
79.05476	3.1
81.03418	62.7
81.07050	1.7
83.04958	5.1
85.02901	79.2
86.09695	4.6
86.65765	1.6
91.05459	2.8
95.04957	4.5
97.02885	30.4
99.04441	18.2
103.03929	18.3
107.08561	1.8
109.02878	79.2
111.04433	4.9
115.03904	2.6
119.04921	3.2
123.04421	4.9
125.02335	4.9
127.03910	100.0
133.41325	1.8
135.04343	2.1
139.03935	4.0
145.04958	19.8
147.04413	6.8
151.03903	9.2
163.03894	4.4
163.06030	2.6
165.05460	3.5
169.04973	31.5
175.03943	1.9
177.05486	5.1
187.06015	54.5
187.34288	1.8
193.05013	6.0
195.38564	1.7
203.05325	4.9
205.07065	21.3
208.69559	1.8
211.05992	3.9
217.04886	4.0
229.07047	9.6
234.99048	2.3
235.06033	5.0
247.08090	8.3
253.07053	4.0
271.08112	4.8
289.09317	1.8
295.08139	3.4
302.46552	1.6
313.09180	2.2
318.10025	1.7
345.04990	1.8
391.63358	2.1
409.14597	19.2
410.14380	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30909	0.8
60.54092	0.9
69.59265	5.0
69.59686	2.0
71.04397	0.8
73.75970	0.9
80.52856	0.8
98.20812	1.6
118.08673	2.5
133.37915	0.9
140.98836	0.8
156.04288	1.6
179.66747	1.0
204.94968	1.9
318.07281	0.9
409.11084	100.0
409.15912	3.4
410.11374	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06995	0.9
56.96569	8.3
63.08402	0.9
66.10889	0.8
69.03411	1.6
70.01056	3.9
84.96039	3.3
85.02906	1.2
98.06061	1.8
98.97588	21.6
98.98199	1.6
101.00908	0.9
104.17579	0.9
105.19593	0.9
110.97567	5.5
112.43890	0.8
112.99150	2.0
116.98617	12.5
119.01967	1.1
120.08089	0.8
124.99087	1.0
127.03989	1.1
128.98631	7.8
131.00189	3.7
133.01729	1.7
134.99657	3.2
140.98630	1.0
143.00177	3.3
146.99655	6.2
147.04414	2.7
149.01236	1.8
149.02963	1.0
151.02820	2.1
152.98624	1.6
158.99637	4.7
159.86852	1.1
161.01230	5.2
162.16855	0.9
162.99194	1.7
165.00690	1.4
170.99721	4.5
171.05124	1.0
175.02802	2.3
177.00720	7.5
179.02290	1.6
189.00743	4.2
189.02380	1.2
193.03882	1.4
201.00760	3.5
217.03906	1.3
219.01768	16.9
221.05193	2.1
229.03882	1.3
237.02838	41.3
238.03123	0.9
242.03873	1.2
247.04779	1.0
249.02843	1.2
255.03896	3.9
260.04480	1.5
261.02988	3.5
277.05997	7.1
279.03906	13.8
279.09393	2.4
293.05789	0.9
295.07013	22.1
321.01688	1.5
321.04907	5.5
337.97665	1.0
349.00937	1.0
349.08145	4.0
349.12775	1.1
409.10834	100.0
410.11026	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	1.4
56.96556	7.6
62.88404	0.7
64.77106	0.7
69.03406	0.9
69.68587	1.8
69.68986	4.8
70.06588	1.7
84.08144	1.6
84.96040	3.5
85.02894	1.7
98.06032	1.0
98.20746	1.4
98.97586	31.2
102.97038	0.8
110.97565	7.9
112.99165	1.9
116.98618	20.3
119.01855	1.1
126.97118	0.8
128.98602	14.9
131.00154	2.9
134.99643	8.3
140.98589	2.0
143.00171	3.8
146.99646	11.0
149.01230	2.5
152.05682	2.8
158.99669	4.4
161.01245	6.6
161.02582	0.9
163.02768	1.7
165.00754	3.0
170.99652	5.1
173.01276	0.9
173.02904	1.0
175.02736	1.3
177.00734	8.9
179.02280	1.7
185.02924	0.8
187.02834	1.4
187.04546	1.0
189.00699	7.9
194.99690	3.4
195.01830	1.7
197.06747	0.9
201.00641	4.9
205.03883	0.9
207.01628	1.2
213.00662	4.3
219.01764	44.3
237.02821	100.0
238.03180	2.7
242.03429	2.2
255.03857	9.2
259.05151	1.0
260.04449	3.1
261.02792	18.2
277.05661	1.9
279.03876	71.8
289.06012	0.8
295.07047	6.8
297.04877	1.0
302.05499	5.5
307.07162	1.5
321.01154	1.6
321.04935	29.7
331.07059	1.2
341.53906	0.8
349.08054	17.9
349.12137	1.6
367.09305	1.5
383.44223	0.8
409.10745	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	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
67.05504	0.5
69.03432	1.0
69.07062	0.6
70.06585	1.6
70.97984	0.4
71.59106	0.8
79.05508	0.8
81.03390	0.4
81.07067	1.3
84.04555	0.6
84.08118	0.6
85.02923	0.9
86.09721	2.2
91.05470	0.9
95.04970	0.6
103.18675	0.5
107.08606	0.6
107.36546	0.5
120.08100	0.8
120.84061	0.5
125.09599	0.6
129.10194	0.6
130.08635	1.0
135.08727	0.4
137.05988	0.6
161.05994	0.9
172.88356	0.5
174.44232	0.4
186.15239	0.5
203.07008	3.3
211.16756	0.6
212.70453	0.5
219.06357	1.7
220.32822	0.5
233.07857	5.5
275.09009	1.1
287.35822	0.5
356.64807	0.6
373.09195	0.6
391.14767	0.7
409.11038	100.0
410.11487	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.5
56.96558	2.7
58.81193	1.7
67.05503	9.0
69.03420	10.2
69.07056	8.4
70.06583	2.8
70.15086	7.0
71.04984	5.0
72.08128	3.1
79.05490	11.2
81.03415	3.8
81.07056	18.0
83.04975	6.2
83.08630	12.8
85.02921	12.1
85.06522	3.2
86.09695	6.8
91.05491	31.5
93.07047	16.8
94.82402	1.9
95.04970	4.0
95.08618	26.0
97.02879	7.7
97.06548	10.5
98.97547	2.3
99.04437	2.5
99.08089	8.7
105.07029	33.3
107.08591	19.8
109.02884	2.8
109.06521	4.8
109.10159	18.1
111.08072	7.2
113.06037	2.1
116.01679	4.5
116.98598	3.1
117.07014	5.3
119.08585	100.0
120.08113	2.7
120.08926	3.5
121.10160	14.0
123.08077	4.1
123.11729	9.1
125.06020	3.4
125.09624	16.9
127.03918	5.6
127.68363	1.8
129.06989	2.9
131.08566	3.4
131.87471	1.8
133.10129	16.6
135.11697	17.2
136.07536	2.1
137.05928	2.1
137.09639	9.4
143.07048	3.2
146.99652	1.9
147.07977	3.0
147.11687	30.4
149.13239	8.1
151.14787	4.2
153.12730	2.9
157.10048	2.4
162.02217	7.5
165.12817	9.4
175.11192	29.9
175.14801	34.4
193.12256	59.0
193.15881	67.5
194.12656	2.7
211.13354	23.5
211.16919	57.6
212.00476	2.0
212.17299	2.4
229.18031	23.1
262.10980	4.0
279.13855	3.0
285.09537	2.3
330.72433	2.0
390.13354	3.6
409.18365	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.9
56.96567	6.1
67.05505	11.5
69.07069	10.0
70.73921	16.5
81.07059	15.8
91.05482	9.9
93.07061	8.4
95.04960	6.2
95.08614	15.7
95.82264	6.0
97.02909	6.5
97.06497	6.3
105.07019	11.5
107.08587	13.7
109.10172	15.6
119.08595	16.0
121.10177	9.7
123.08054	5.9
125.09625	11.2
133.10158	9.5
142.85072	4.9
146.10500	5.6
147.11633	6.2
161.09630	5.1
187.14854	10.2
189.09541	5.0
238.17992	9.4
247.51724	5.7
256.18933	6.5
270.49823	5.4
296.10416	6.7
363.21823	6.5
408.26218	7.6
408.31018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.05512	4.4
57.03432	2.5
59.03125	0.9
61.02916	2.2
67.05505	8.5
69.03439	4.7
69.07067	6.9
71.04987	2.1
73.02921	1.0
79.05505	3.7
81.03406	3.1
81.07063	31.1
83.04972	3.2
83.08618	3.8
84.04527	0.8
85.02908	13.1
85.06534	2.9
91.05476	8.8
92.94061	0.8
93.07053	6.0
95.04972	0.8
95.08598	4.9
97.02880	5.6
97.06509	2.8
99.04440	1.4
99.08096	1.9
105.06393	1.3
105.07038	16.2
107.08589	7.9
109.02876	2.3
109.06514	2.7
109.10147	1.4
111.08059	1.1
113.05956	1.3
117.03370	1.1
119.08582	13.2
121.10146	14.5
123.08092	2.4
123.11715	18.0
125.09631	3.8
127.03933	3.1
127.07519	2.2
131.08664	0.9
133.10147	3.0
137.13249	1.3
141.09137	1.2
145.02898	1.6
145.04944	3.7
145.10126	1.5
147.11690	53.7
148.12000	1.2
157.10178	1.1
165.12762	35.9
175.11082	1.5
177.05428	4.4
178.05740	1.4
180.08707	3.6
183.13840	10.7
193.12296	5.4
211.13301	6.5
229.14365	100.0
230.14746	3.0
408.33157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01875	2.3
55.05505	3.6
56.05032	1.5
56.96564	4.0
57.03428	2.7
57.07051	1.1
58.06592	0.9
60.04522	2.9
61.02935	1.1
61.45529	0.8
65.03938	2.8
67.05503	6.3
69.03430	6.0
69.07058	7.6
69.76991	4.4
70.06593	7.3
71.04973	4.4
72.08154	4.7
73.02907	0.8
74.06079	1.7
78.12463	0.8
79.05492	5.1
79.31164	0.7
81.03416	4.3
81.07048	7.7
81.19653	0.8
83.04983	3.8
83.08612	1.8
84.04519	1.2
84.08123	5.0
85.02904	14.2
85.06545	2.7
86.09699	22.2
87.05599	0.9
88.85644	0.8
91.05482	9.4
93.07040	10.9
95.04968	32.1
95.08613	2.5
96.05303	1.2
97.02895	5.3
97.06521	1.9
98.97567	5.3
99.04461	3.7
103.05470	1.2
105.01822	1.6
105.03388	10.9
105.07034	10.3
106.02920	1.6
107.04984	1.2
107.08587	6.9
109.02891	2.7
109.06513	7.7
109.10175	3.3
110.97592	1.1
114.09158	1.0
116.01709	1.3
116.07095	0.9
116.98600	4.8
117.06982	1.0
118.06537	0.9
119.08569	4.8
120.08095	12.7
121.10129	4.8
123.04415	2.5
123.08070	1.9
123.11682	2.3
124.03186	1.0
124.03928	5.1
127.03933	3.5
128.98589	1.1
129.06972	1.4
129.09126	1.0
129.10237	2.7
131.08583	4.3
133.06558	1.1
133.10126	49.3
134.10464	1.7
134.99667	2.5
135.08043	2.2
135.11711	1.2
135.17249	1.0
136.07607	1.8
137.05975	4.5
137.09633	1.8
141.09167	1.1
145.04926	2.2
146.99602	2.0
147.04373	1.0
147.11694	12.5
147.63855	0.9
149.06015	1.7
149.09621	1.8
149.67696	0.9
151.07564	1.5
151.11172	32.4
151.12349	1.9
153.09166	2.5
155.07062	11.2
157.10031	1.3
158.99606	1.7
159.11302	5.2
161.01239	1.2
162.02272	2.0
163.03911	3.2
165.12747	3.9
166.08649	2.5
169.08626	1.4
169.12201	1.1
173.13261	2.1
175.11179	6.1
177.00735	2.0
177.05481	1.1
179.07047	1.9
181.04922	1.8
182.05223	0.9
187.10817	2.5
187.15538	1.0
191.14308	1.8
193.12238	25.2
194.12512	1.0
199.18051	5.0
207.10127	1.2
210.08539	1.2
210.14983	0.9
211.13287	100.0
212.13612	2.2
212.98463	2.3
214.08527	3.6
219.01700	1.4
223.08928	1.6
223.10881	2.0
227.17657	1.5
228.15968	1.6
229.14337	29.5
229.16544	1.6
233.16507	4.4
234.59822	1.4
237.02809	2.8
239.00058	1.4
246.17065	1.1
250.07104	1.1
254.14899	0.9
261.15952	1.3
262.11084	1.1
265.11057	2.0
268.08215	3.6
276.96509	0.9
283.12256	2.3
285.08707	1.5
307.12183	1.8
313.08087	1.2
318.15848	1.4
319.11938	1.0
321.00635	3.0
325.09421	0.9
325.13297	1.8
327.16284	2.7
331.09250	2.7
339.01422	1.2
349.10358	2.4
381.02420	1.1
390.16608	1.4
390.21390	1.0
391.10944	1.1
408.22607	1.7
409.02090	1.1
409.11987	4.3
409.18384	2.5
426.65338	0.8
427.16470	12.0
428.16885	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
53.78913	1.0
55.01880	1.1
55.05508	11.7
56.96568	2.9
57.03431	2.2
57.07080	1.5
64.39815	1.3
67.05499	8.2
69.03429	9.8
69.07076	6.2
70.06602	1.8
70.81768	2.3
71.04990	4.6
72.08143	1.9
74.32188	1.1
79.05492	13.4
81.03427	2.3
81.07063	14.9
83.04985	4.0
83.08620	11.1
84.04509	2.7
85.02911	9.3
85.06536	3.1
86.09698	7.4
91.05486	41.2
93.07053	17.3
94.07310	1.1
95.04974	2.5
95.08611	21.1
97.02901	3.8
97.06556	9.6
97.10205	1.7
98.97595	2.4
99.04462	1.7
99.08104	6.8
105.07036	33.9
107.04906	1.6
107.08598	13.2
109.02917	1.8
109.06512	4.7
109.10176	14.7
111.08083	6.5
113.05990	1.5
116.01678	2.5
117.07034	4.8
119.08588	100.0
120.08135	2.1
120.08929	1.4
121.10155	10.9
122.03764	1.5
123.08093	4.6
123.11698	9.5
125.09609	9.4
127.03931	3.0
131.08562	3.0
133.10139	15.1
135.08092	2.1
135.11700	14.1
137.09621	10.5
139.11159	1.5
143.07053	3.4
147.08032	3.5
147.11688	31.0
147.12807	2.4
148.12012	1.4
149.13257	4.9
151.14803	3.1
153.12772	1.3
157.10152	2.1
159.08354	1.4
162.02228	5.1
165.12735	13.0
165.16397	3.5
175.11191	36.2
175.14815	28.1
177.00710	1.7
181.05006	1.4
193.12254	60.7
193.15887	44.8
194.12685	2.3
197.11797	1.6
211.13344	21.4
211.16917	43.0
214.65045	1.4
229.18016	17.3
246.11261	2.6
298.09088	2.2
333.14841	1.9
390.13763	4.3
408.18320	1.9
409.13159	2.9
409.18356	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	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
53.78913	1.0
55.01880	1.1
55.05508	11.7
56.96568	2.9
57.03431	2.2
57.07080	1.5
64.39815	1.3
67.05499	8.2
69.03429	9.8
69.07076	6.2
70.06602	1.8
70.81768	2.3
71.04990	4.6
72.08143	1.9
74.32188	1.1
79.05492	13.4
81.03427	2.3
81.07063	14.9
83.04985	4.0
83.08620	11.1
84.04509	2.7
85.02911	9.3
85.06536	3.1
86.09698	7.4
91.05486	41.2
93.07053	17.3
94.07310	1.1
95.04974	2.5
95.08611	21.1
97.02901	3.8
97.06556	9.6
97.10205	1.7
98.97595	2.4
99.04462	1.7
99.08104	6.8
105.07036	33.9
107.04906	1.6
107.08598	13.2
109.02917	1.8
109.06512	4.7
109.10176	14.7
111.08083	6.5
113.05990	1.5
116.01678	2.5
117.07034	4.8
119.08588	100.0
120.08135	2.1
120.08929	1.4
121.10155	10.9
122.03764	1.5
123.08093	4.6
123.11698	9.5
125.09609	9.4
127.03931	3.0
131.08562	3.0
133.10139	15.1
135.08092	2.1
135.11700	14.1
137.09621	10.5
139.11159	1.5
143.07053	3.4
147.08032	3.5
147.11688	31.0
147.12807	2.4
148.12012	1.4
149.13257	4.9
151.14803	3.1
153.12772	1.3
157.10152	2.1
159.08354	1.4
162.02228	5.1
165.12735	13.0
165.16397	3.5
175.11191	36.2
175.14815	28.1
177.00710	1.7
181.05006	1.4
193.12254	60.7
193.15887	44.8
194.12685	2.3
197.11797	1.6
211.13344	21.4
211.16917	43.0
214.65045	1.4
229.18016	17.3
246.11261	2.6
298.09088	2.2
333.14841	1.9
390.13763	4.3
408.18320	1.9
409.13159	2.9
409.18356	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	408.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
57.03433	1.9
61.02933	2.8
69.03429	13.7
69.07063	2.2
71.04993	5.5
71.59162	1.6
71.59543	2.2
73.02908	3.4
73.99835	1.3
81.03419	14.2
84.04509	3.4
84.08144	1.8
85.02907	66.4
86.09703	13.2
87.04490	1.4
87.16988	1.3
91.05484	1.8
93.07008	1.7
97.02894	29.1
99.04455	37.7
102.05592	2.0
102.09184	15.3
103.03941	75.5
104.04270	1.6
109.02877	19.4
120.08115	17.5
124.76150	1.4
127.03916	100.0
132.10204	5.6
136.07610	5.1
145.04959	61.6
146.05254	1.5
163.03999	2.6
163.06013	23.7
166.08661	2.2
186.09196	2.1
187.06021	5.8
205.07118	4.4
231.11285	2.4
249.12251	1.7
249.15953	2.2
271.08127	8.2
289.09204	5.3
290.59985	1.8
307.10361	2.2
325.03580	1.7
409.18289	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
54.93247	0.8
55.05513	28.4
55.52098	0.9
56.05028	1.7
58.28922	0.8
58.99588	10.0
61.01158	1.6
69.07047	0.8
71.04190	2.0
73.01129	2.0
76.02232	6.8
76.04008	2.5
79.81590	0.8
81.07063	2.2
82.39046	0.8
83.06118	1.9
83.08617	40.6
84.04044	1.3
84.04507	19.1
84.63463	0.9
85.02917	1.1
86.09737	0.8
86.99042	11.2
88.02216	3.4
99.02724	1.0
99.05574	1.5
101.09651	2.2
103.02194	0.8
107.08593	1.7
115.05795	1.2
115.33606	0.8
116.01680	54.5
129.06604	3.0
129.07430	1.2
130.05034	5.5
142.03232	2.7
144.01146	28.0
154.25122	0.8
159.08398	31.8
162.02205	100.0
176.11069	3.5
187.07855	1.2
199.16364	0.8
209.11639	1.8
210.11781	1.2
233.10031	0.9
233.16481	0.9
244.10109	1.7
245.05794	1.1
250.61183	1.0
262.11093	66.2
263.11462	1.3
270.81253	1.0
279.13757	28.8
283.08588	1.3
315.14053	0.8
332.83124	1.0
333.14819	16.7
334.15219	0.9
390.16965	1.4
401.50827	0.8
408.17911	7.5
408.22366	1.0
412.51471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	29.4
56.05016	1.5
58.99586	14.6
61.01149	1.2
69.07051	0.7
70.91833	1.9
70.92195	0.7
72.13416	0.6
73.01151	1.1
76.02238	6.8
76.03987	3.2
81.07043	0.8
83.06100	1.6
83.08624	45.5
84.04510	24.9
85.01129	1.3
86.99062	12.8
88.02213	3.4
92.81577	0.7
99.02648	1.1
99.05564	1.5
101.04185	0.8
101.09653	1.5
105.00060	0.7
107.08595	2.1
115.05816	0.8
116.01683	60.9
129.06526	3.3
129.07373	1.8
130.04999	4.4
141.07324	1.0
142.03244	4.1
144.01154	30.4
145.06075	1.1
146.13147	0.7
153.06586	0.7
159.07042	0.9
159.08400	39.7
162.02211	100.0
170.02661	1.3
176.11035	5.9
179.04713	0.7
187.07794	0.9
245.05916	1.0
245.48758	0.7
262.11102	51.6
263.11499	0.9
279.13763	26.3
333.14825	10.5
396.98523	0.6
408.18033	6.4
411.02719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93124	0.4
56.96540	0.4
57.07089	0.5
68.65145	0.4
69.02698	0.5
69.03407	0.4
71.57390	0.5
97.02872	0.4
98.97595	0.6
101.00866	0.6
111.69327	0.4
116.98650	1.1
119.01916	6.7
134.99661	0.9
137.02934	4.5
150.15903	0.5
158.99850	0.5
174.38498	0.4
177.00952	15.4
178.01039	1.5
179.00728	1.7
182.99843	0.5
200.02524	0.6
201.00941	1.1
217.04079	2.6
219.02014	25.8
220.02068	2.8
221.01744	2.4
225.00810	3.2
236.43704	0.4
242.03482	1.2
243.01924	5.9
244.01982	0.6
258.99994	1.2
259.99942	0.7
261.03067	100.0
262.03229	9.1
263.02826	7.0
264.03098	1.7
266.03555	0.5
277.00955	2.6
278.01141	1.2
279.00888	1.0
281.00833	0.6
282.99966	2.3
283.99966	1.1
284.04730	7.6
284.99854	1.6
285.04974	0.6
286.99554	1.9
301.01068	7.1
302.01031	2.7
302.04041	0.5
302.05951	0.4
303.00781	4.1
304.00955	1.3
305.00620	4.5
320.02322	0.6
321.02112	0.7
343.02155	0.5
346.44714	0.4
354.93704	0.5
356.93439	1.0
358.92966	0.5
367.02011	2.9
372.96249	5.8
373.46231	4.8
373.95966	3.0
374.46243	1.0
374.94656	0.5
381.96832	2.6
382.46646	1.8
382.96552	1.4
384.04855	0.7
384.47217	1.3
384.96759	1.9
385.03134	15.3
385.46967	0.8
386.03546	1.1
396.94620	1.0
398.93991	0.6
400.97906	0.9
402.97424	6.4
403.04178	24.9
404.04660	2.2
408.04608	1.8
426.05914	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05498	7.2
58.63619	6.1
58.76568	8.1
67.05504	11.9
69.07075	20.1
70.78262	12.5
81.07066	30.2
91.05521	7.5
93.07087	13.3
95.08600	59.6
105.07050	20.2
107.08605	29.3
109.10141	39.9
116.34370	5.8
119.08582	28.9
121.10133	22.5
123.11722	15.5
123.82404	7.5
133.10170	13.0
134.06992	6.7
135.11726	9.3
137.13228	6.7
139.85161	6.3
147.11728	20.1
149.13249	7.8
159.11719	10.7
161.13286	21.4
163.14731	6.4
175.14856	18.1
177.16502	8.8
187.14824	6.6
189.16415	23.0
191.18019	12.1
201.16376	10.7
203.18027	25.2
205.19489	7.3
215.18066	9.7
215.46288	7.0
217.19540	15.9
269.22745	8.5
272.01825	7.1
371.06219	6.1
407.36771	100.0
408.36819	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	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05513	8.1
57.07073	1.4
65.03933	0.8
67.05503	11.2
69.03440	4.0
69.07065	10.4
70.99116	0.7
71.05009	0.7
71.08626	0.6
79.05496	9.3
80.65469	0.6
81.07058	27.8
83.04958	2.1
83.08617	5.0
85.02900	0.8
85.06580	0.7
91.05480	10.2
93.07046	19.9
95.04966	2.1
95.08609	34.8
96.08950	0.9
97.02892	0.8
97.06509	1.5
97.10175	3.0
99.08078	1.6
103.05482	0.8
105.07034	26.6
107.08597	31.2
109.06499	2.3
109.10157	24.0
109.10918	0.9
111.08039	3.6
111.11724	1.2
117.07039	4.3
119.08587	28.2
121.06525	1.0
121.10146	21.9
121.11031	1.4
123.08084	2.5
123.11713	8.0
125.09634	9.7
128.06242	1.2
129.07025	3.7
130.07785	1.0
131.08572	19.0
132.08937	0.9
133.10133	20.6
135.08096	1.8
135.11679	9.4
137.09628	3.7
137.13239	2.1
139.11229	0.9
141.06990	1.7
142.07773	1.8
143.08551	10.5
144.09369	1.3
145.10121	33.8
147.08051	0.8
147.11693	11.8
148.59639	0.6
149.09641	1.5
149.13260	13.8
151.11215	2.6
155.08549	3.3
156.09346	1.6
157.10130	11.4
157.11301	1.0
158.10878	1.3
159.08084	0.7
159.11705	19.0
160.12253	0.8
161.09651	2.0
161.13251	7.3
163.13434	1.0
163.14813	16.6
165.12747	0.8
165.16258	0.8
167.08524	0.7
169.10117	5.5
170.10904	1.5
171.11678	9.7
172.12447	1.7
173.09700	0.9
173.13266	16.9
175.11267	1.0
175.14833	16.0
175.16280	1.1
177.12784	1.3
177.16391	18.3
181.10191	1.2
183.11694	5.0
184.12439	1.7
185.13271	8.6
187.14828	61.0
188.15219	2.4
189.12811	1.1
189.16385	20.1
191.14354	1.5
191.17957	3.1
193.10075	0.6
193.15825	0.8
195.11714	1.7
197.13246	4.1
199.14816	13.4
201.12720	1.4
201.16389	15.8
203.14372	1.8
203.17957	9.9
205.15904	1.8
207.17390	0.8
209.13338	2.2
211.14827	3.8
213.16382	16.6
214.17104	1.2
215.14520	0.9
215.17949	13.1
217.15898	9.9
217.19453	1.7
219.17422	1.5
221.13268	0.7
223.14839	2.9
225.16422	4.5
227.17970	6.2
228.18675	1.1
229.15906	2.8
229.19507	3.1
231.17461	4.8
233.19031	6.1
237.16478	2.8
239.17915	6.2
241.19493	5.7
243.17528	2.0
243.21118	2.7
251.18008	2.0
253.19527	4.2
255.21149	4.0
257.19016	4.6
257.22760	0.7
259.20618	1.6
265.19550	2.3
267.21088	4.9
269.18924	1.6
277.19315	0.7
279.21234	1.8
281.22672	2.7
283.20682	2.2
283.24286	2.4
293.22583	2.6
295.24252	1.9
297.22137	0.9
305.22531	0.8
307.24283	0.9
311.23648	2.5
319.24164	1.2
321.25687	0.8
322.26620	0.7
333.25699	1.9
335.27423	0.8
337.25070	0.8
347.27454	1.2
349.28946	2.0
351.26678	1.4
379.33621	2.3
389.32031	15.8
390.32767	0.7
407.33115	100.0
408.33395	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	407.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
57.07078	0.9
59.04987	2.1
60.18124	0.7
67.05489	1.8
71.03580	1.6
73.87910	0.7
79.05474	1.7
81.07057	2.0
91.05476	5.9
93.07045	13.7
95.04935	2.7
95.08606	1.7
100.29211	0.7
105.07036	10.8
107.08595	22.2
109.06472	1.6
109.10139	2.2
119.04946	0.7
119.08565	3.0
121.06519	5.9
123.04406	1.6
123.11717	1.4
131.08423	0.7
133.10130	35.7
135.11685	9.9
137.05951	1.5
137.09637	1.1
143.08589	0.9
146.07155	1.0
151.11116	1.7
161.09607	21.8
179.10670	100.0
180.10989	1.6
197.11780	5.3
220.13322	1.6
229.21606	1.3
321.67966	0.8
398.77042	0.9
407.31555	3.0
407.36642	1.5
409.60745	0.8
417.01593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2794
Annotation	Acylated phloroglucinol
Peak:m/z	Relative Intensity
53.35561	4.3
55.01860	5.2
55.05513	15.0
55.47171	4.0
57.72638	4.1
58.19578	4.2
65.03957	7.0
66.39335	5.2
67.05167	6.2
67.05508	70.6
69.07069	24.3
71.05013	5.6
71.61511	4.6
71.61866	5.4
74.21382	3.7
79.05495	20.0
81.07059	44.3
82.19994	4.0
83.04953	7.5
83.08625	14.8
85.06515	6.4
91.05476	19.3
93.07049	32.7
95.04975	86.9
95.08617	73.1
97.06553	13.8
97.10163	4.7
99.08174	5.2
101.01878	4.3
105.07025	45.5
107.08599	76.3
109.06515	11.3
109.10159	55.8
109.21769	4.6
111.08087	14.6
117.07070	11.0
119.08590	100.0
121.06528	8.8
121.10162	51.3
123.08083	13.2
123.11715	32.4
129.07062	7.2
131.08586	17.2
133.10136	53.7
135.08063	17.7
135.11690	36.1
137.09648	11.2
137.13278	7.0
142.07761	6.0
143.08611	12.5
145.10132	34.5
147.11685	38.6
149.09631	12.9
149.13278	13.9
151.11198	12.7
157.10165	16.1
159.11729	54.4
161.09656	7.4
161.13307	33.2
163.11208	23.4
163.14882	9.2
165.12743	7.2
169.10220	6.9
170.10965	7.3
171.11708	23.8
173.09586	5.7
173.13266	25.8
175.11230	13.5
175.14883	16.9
177.12802	29.1
177.16449	5.1
183.11719	7.9
185.13268	22.2
187.14819	26.5
189.09134	6.1
189.12775	5.5
189.16444	14.1
197.13336	9.9
199.11206	5.9
199.14772	15.1
201.12787	6.5
201.16455	22.1
201.41643	4.7
203.14352	12.9
205.15939	16.1
209.13441	4.2
211.14987	6.4
213.12627	5.0
213.16382	7.0
217.15895	6.6
224.03047	4.8
227.14415	7.7
231.13771	6.4
239.17944	8.1
241.19585	35.0
245.15456	6.3
255.21132	31.6
259.20654	12.5
265.19473	9.2
273.22104	26.5
283.20673	48.8
301.21649	95.9
302.22025	6.7
315.19421	4.9
319.22675	19.1
407.27670	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	407.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
57.03428	4.5
57.07076	11.2
59.22882	1.4
67.05495	4.3
69.07069	2.6
71.08631	4.4
71.35900	3.3
75.02802	1.4
81.07043	5.6
82.14183	1.8
83.08612	4.8
85.10199	1.8
95.08612	7.4
98.98467	2.3
99.46102	1.5
106.04031	1.6
107.08564	2.0
109.10146	2.6
113.00016	82.1
113.16124	1.9
121.10094	2.2
155.00983	3.2
158.58154	1.4
169.02609	100.0
169.27156	1.8
177.58220	1.6
199.58582	1.6
226.10555	1.6
241.28058	1.7
251.72618	1.9
268.96777	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1528
Annotation	Pamapimod
Peak:m/z	Relative Intensity
56.96562	0.7
61.52201	0.5
69.03431	1.2
70.77212	0.7
70.77532	1.0
85.02899	1.9
86.09685	0.6
91.05476	0.7
97.02910	1.3
98.97594	1.5
116.98608	1.1
119.04948	0.6
127.03944	6.3
142.21869	0.5
143.01888	1.1
147.04451	1.7
159.02922	0.6
161.02957	2.2
167.07069	0.9
173.02974	1.1
177.00774	0.7
208.29066	0.5
219.01920	0.6
221.05077	0.7
222.93065	0.5
275.11105	1.4
293.10742	2.3
407.15289	100.0
408.15564	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	407.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19154	0.2
55.05502	1.1
57.03435	4.5
57.06787	0.4
57.07073	7.2
62.29511	0.3
67.05496	2.7
69.07058	1.3
69.39076	1.4
69.39506	1.0
71.08631	4.5
81.07052	3.0
83.08617	1.7
85.10186	2.7
88.17755	0.3
93.07036	0.3
95.08604	4.6
97.10183	1.7
98.20731	0.6
98.98460	0.4
109.10181	1.6
113.00010	87.0
123.11692	0.8
131.01041	1.1
137.13239	0.4
139.01544	0.7
154.02621	0.9
155.01024	1.1
169.02603	100.0
170.02979	0.5
239.23711	1.1
407.25369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56274	0.8
55.05507	8.1
57.07071	1.3
67.05504	11.3
69.07073	8.2
69.58057	5.6
77.03943	0.8
79.05495	6.2
80.54073	0.7
81.07062	11.6
83.04991	0.9
83.08627	4.2
90.59717	0.8
91.05482	7.2
93.07052	15.6
94.07391	1.2
95.04984	1.2
95.08610	56.9
97.10163	2.5
97.67378	0.8
105.07033	13.9
107.08597	22.8
109.06517	0.9
109.10159	15.1
111.04446	3.9
111.11687	0.8
117.07021	2.2
119.07791	1.4
119.08585	20.1
121.06510	1.5
121.10145	17.8
123.11732	5.2
125.05981	2.7
128.06216	1.3
129.07042	2.4
131.08557	6.9
133.06447	1.2
133.09229	1.6
133.10132	15.2
135.08047	1.8
135.11691	13.1
137.05975	2.4
137.13200	1.4
139.07538	1.4
142.07780	1.2
143.08557	5.3
143.85690	0.9
145.10104	10.2
147.08052	1.3
147.11696	11.2
149.06050	0.9
149.13264	7.7
151.07584	1.2
153.09061	1.4
156.09315	1.5
157.10141	6.8
159.11713	10.6
161.09665	1.9
161.13248	7.7
163.07576	1.9
163.11214	1.1
163.14851	2.0
165.09088	3.0
169.10091	4.3
171.11684	7.9
173.09584	5.2
173.13255	6.5
175.14801	2.4
177.09143	1.1
179.10661	3.8
183.11708	1.5
184.07407	0.9
185.09598	1.4
185.13275	7.3
187.11140	8.4
187.14758	4.9
189.09055	1.3
189.12740	0.9
189.16415	0.9
191.10663	6.4
191.17920	2.0
199.11226	4.2
199.14870	5.0
201.12715	3.3
201.16383	4.9
203.10669	3.2
203.17923	7.4
205.12285	9.5
207.13779	1.8
213.12784	4.8
213.16449	1.9
215.17886	1.0
217.12209	5.0
219.13818	3.6
227.14339	3.2
231.13799	11.4
233.15410	1.4
239.17909	4.5
241.15816	1.9
241.19525	4.7
245.15468	9.0
255.21091	8.2
257.22668	1.6
259.16867	1.8
265.19559	2.0
273.22168	1.2
283.20578	14.6
284.21329	1.0
301.21625	100.0
302.22028	2.4
406.25763	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51970	0.8
55.01876	1.8
55.05514	2.7
57.03444	1.2
59.04995	0.9
67.05505	2.8
69.03446	4.7
69.07053	4.0
70.74931	2.9
71.04994	2.1
73.02881	1.0
76.02251	0.8
79.05511	2.6
81.03421	1.6
81.07061	6.8
83.04977	2.9
83.08613	1.5
85.02899	6.7
85.06547	2.9
86.09711	1.3
86.30067	0.8
91.05495	2.6
93.07055	7.5
95.04953	1.4
95.08611	8.7
97.02878	2.6
97.06535	100.0
98.06878	2.0
99.04459	1.2
99.08120	1.1
105.03381	1.2
105.07035	6.8
107.04966	1.0
107.08604	21.6
109.06519	5.5
109.10152	6.2
110.80582	1.1
111.08070	3.6
114.19360	0.8
119.04949	0.9
119.08559	4.3
121.06480	2.0
121.10149	10.4
123.08082	2.9
123.11753	1.3
125.09669	1.8
127.03898	1.8
131.08592	4.2
133.10124	8.4
135.08037	2.2
137.09630	1.4
139.11198	1.9
145.05029	1.5
145.10098	1.4
147.04459	1.2
147.11682	6.6
149.09621	3.3
149.12172	1.7
149.13266	19.6
150.13672	1.2
151.11205	4.5
153.09111	2.1
161.13266	2.2
163.14856	5.4
165.12891	1.0
167.07098	1.0
167.10678	2.2
169.12239	12.4
173.13283	6.6
177.05447	1.2
179.14322	1.3
179.84746	0.9
188.03465	1.3
191.14314	16.8
192.14575	0.9
209.11916	1.5
209.15353	17.6
217.93182	0.9
227.08231	2.4
227.16420	62.1
228.16759	2.4
241.09674	1.6
255.11250	1.2
265.09650	2.0
269.09247	1.9
273.08771	1.3
283.10733	1.2
293.09235	2.4
295.10699	1.6
297.08621	2.1
315.09656	3.2
329.11386	1.2
333.10809	1.7
339.09869	2.2
357.10797	2.7
363.10803	1.8
375.11829	1.9
389.13416	11.0
407.09293	2.7
419.25742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
55.05510	22.9
57.03436	3.1
59.05008	1.2
61.02929	1.7
67.05510	2.2
69.03427	10.9
69.07072	2.9
69.64700	5.0
69.65105	1.7
70.06593	2.2
71.04993	2.7
72.08153	1.3
73.02921	1.2
76.02214	1.2
79.05489	2.6
81.03424	2.7
81.07076	5.3
83.04992	16.2
83.08624	16.7
85.02908	12.9
85.06540	1.9
86.09702	8.9
87.04474	4.9
91.05483	3.8
93.07043	3.8
95.04974	7.6
95.08617	2.7
97.02879	7.3
97.06535	3.7
97.10188	2.8
98.97614	1.3
99.04480	2.9
105.07023	2.4
107.08598	10.7
109.02869	1.3
109.06535	4.2
109.10155	8.5
111.08088	3.1
113.09679	1.1
115.03925	2.7
118.06540	1.6
119.01937	1.6
119.08546	1.6
121.06542	1.0
121.10166	4.2
123.08089	1.6
123.11720	5.6
125.05957	1.2
125.09654	4.9
127.03938	2.3
131.01938	3.0
131.08594	1.3
133.04929	1.9
133.10127	4.6
135.08072	5.6
137.06012	2.7
137.09692	1.2
138.06326	1.1
139.11200	2.3
143.01990	1.1
145.04909	1.3
145.10170	1.0
147.04414	1.3
147.11707	1.7
149.09570	2.5
149.13254	3.2
151.11191	23.9
153.09132	1.7
155.01930	1.1
167.07040	1.6
167.14316	28.7
169.12340	1.2
173.03004	2.1
173.13248	1.6
177.05507	1.5
180.08792	2.3
181.05009	2.5
181.12241	3.8
182.05310	1.2
185.02910	1.9
188.03389	1.2
191.14320	3.9
203.03996	1.7
209.15370	100.0
210.15758	2.2
221.05103	2.7
222.82230	1.1
275.06216	2.2
285.11908	2.0
303.12863	2.9
332.09637	1.7
363.10684	1.9
371.20816	5.2
374.10544	1.9
389.13409	3.3
407.09479	6.4
407.13940	2.4
417.16119	4.7
418.16150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.4
57.03426	1.9
67.05518	3.6
69.03426	4.4
69.07076	4.3
70.06579	1.8
71.04991	1.6
71.60300	1.5
79.05489	3.4
81.07063	6.9
83.04992	2.3
83.08615	1.3
84.04527	1.0
84.64213	1.0
85.02912	9.0
85.06548	2.0
86.01250	1.0
86.09718	1.5
91.05485	3.1
93.07060	10.5
94.10281	1.1
95.04944	1.2
95.08637	6.6
97.02913	2.7
97.06534	100.0
98.06863	1.3
105.03409	1.3
105.07019	4.7
107.08588	21.6
109.06503	5.9
109.10160	7.8
111.08092	4.0
113.09662	1.1
119.08592	3.3
121.10148	12.2
123.08056	1.5
123.11668	1.9
125.09616	1.4
127.03944	1.5
131.08569	5.5
133.10133	8.1
135.08086	1.6
135.11734	1.6
139.07552	2.3
139.11209	2.0
145.04959	1.4
147.11691	6.1
149.09654	2.6
149.13264	20.3
149.14368	1.5
151.11165	5.5
153.09099	2.4
161.13295	2.1
163.14851	4.6
165.12747	1.3
167.07076	1.1
167.10672	3.0
169.12241	10.0
173.13245	7.8
177.05501	1.3
191.14293	15.1
191.52753	1.1
207.19455	1.0
209.15343	15.6
227.08095	1.2
227.16422	60.5
228.16811	2.8
237.10323	1.1
241.09753	1.4
255.11244	1.1
265.09680	2.4
269.09201	2.3
279.07797	1.2
283.10583	1.7
293.09137	2.4
301.11755	1.2
311.10327	2.2
315.09821	2.3
321.08655	1.1
329.11288	1.4
339.09613	2.1
357.10788	3.7
363.10284	1.6
375.11841	2.4
389.13342	8.6
407.09769	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.05502	2.1
56.05028	2.2
57.03427	3.5
57.07072	1.8
58.99579	4.1
61.02914	1.7
67.05492	4.6
69.03413	1.2
69.07057	3.5
71.04999	9.6
76.02223	6.6
79.05479	10.9
81.03390	1.4
81.07055	9.0
83.04977	1.8
84.04498	10.3
85.02900	6.4
85.06542	18.3
86.00642	1.5
86.99029	2.7
87.02695	1.9
91.05478	9.8
93.07051	10.5
95.04961	2.2
95.08595	1.8
97.02888	3.2
97.06525	2.3
98.09686	3.3
98.97540	1.1
99.08099	2.8
99.60783	1.1
102.05565	1.7
105.07030	8.5
107.04967	6.4
107.08591	16.0
109.02865	1.1
109.06469	1.2
111.04427	2.6
112.03950	1.4
112.08665	1.1
113.04234	2.1
116.01687	7.6
116.98568	1.3
117.07030	2.4
119.04945	4.0
119.08562	5.6
121.06530	12.7
121.10142	9.1
121.58842	1.1
123.08031	1.7
125.06006	2.9
127.03902	1.6
130.04993	2.5
130.06815	1.4
131.08569	69.0
135.08000	1.2
135.11681	2.2
137.09579	1.4
139.07541	1.3
144.01123	2.9
145.10112	17.5
147.04414	21.4
147.08040	2.7
148.04778	6.1
149.05969	1.7
149.09615	34.1
151.07542	1.7
153.05479	3.6
155.07010	1.0
156.08467	6.1
156.10191	3.8
157.06839	3.4
162.02187	7.1
163.11185	12.5
165.09132	4.4
167.07144	1.7
167.10681	7.3
173.09637	2.6
174.09471	3.4
179.04893	4.0
182.99648	2.2
191.10678	29.3
201.00645	4.9
209.11732	100.0
210.11987	2.1
216.06905	2.0
219.01768	1.3
227.10510	1.6
227.12773	30.7
244.15385	1.4
259.11118	36.4
313.12085	1.7
331.13165	1.4
351.03580	1.5
351.67398	1.1
352.04071	1.2
370.05173	1.4
387.05408	1.1
388.15167	1.2
395.71298	0.9
406.16211	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	2.2
69.03422	1.7
69.07083	1.7
71.03795	1.8
71.04119	3.2
71.05005	6.2
74.22819	1.7
79.05494	7.7
81.07059	1.4
85.02911	2.4
91.05483	6.3
93.07058	8.0
95.04971	3.3
103.07871	1.9
103.96635	1.6
105.07036	6.9
107.04970	4.0
107.08600	14.1
111.08105	1.5
117.07079	2.2
119.08594	2.7
121.02876	10.4
121.06516	13.6
121.10161	8.9
124.03905	2.1
127.03929	2.4
131.08578	58.9
132.08966	2.4
133.10141	1.6
135.08040	2.3
135.11742	2.6
145.10117	14.3
147.11653	2.5
149.09633	20.7
153.05466	3.7
153.06604	1.7
163.11160	8.6
167.10643	1.7
173.09669	1.9
173.13374	3.3
191.10693	20.5
191.14377	6.4
209.11760	100.0
210.12091	3.0
268.08411	1.8
297.08664	2.2
406.17490	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
55.05502	3.8
56.05027	1.8
57.03415	3.2
61.93133	1.0
67.05490	4.6
69.03410	3.1
69.07061	3.5
71.04987	7.2
71.34355	2.4
76.02213	3.3
79.05499	9.7
81.07072	6.8
83.04967	3.4
83.06079	1.2
84.04498	6.1
85.02901	9.2
85.06547	28.5
86.06841	1.1
86.99043	1.0
91.05504	5.6
93.07049	8.6
95.04974	2.8
95.08562	1.1
97.02898	2.6
97.06541	2.3
98.09717	2.0
99.08103	2.4
105.07017	6.4
105.62049	0.9
107.04965	4.1
107.08596	15.4
109.06491	1.6
111.04427	2.9
113.04210	1.2
116.01677	4.9
117.07041	2.2
119.08554	4.5
121.06519	8.7
121.10151	9.7
125.05992	2.1
127.03872	1.4
129.06984	2.5
130.05022	1.8
130.07768	1.4
131.08574	58.0
133.10124	2.6
135.04419	1.8
135.08076	1.1
135.11699	2.9
137.09593	1.9
144.01180	1.4
145.09048	1.3
145.10132	15.7
147.08069	2.6
149.09634	31.1
153.05469	3.1
156.08423	5.1
156.10202	1.9
157.06830	3.4
162.02243	5.3
163.11220	10.5
165.09148	4.0
167.07053	1.8
167.10710	9.9
173.09595	3.5
174.09450	3.2
179.04826	2.2
191.10674	30.7
192.10986	1.1
209.11743	100.0
210.12105	4.0
216.06726	1.1
227.12793	55.5
228.13138	3.0
244.66179	1.1
259.11133	22.3
297.46393	1.0
331.13376	2.1
406.16034	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38788	0.9
52.71758	0.9
55.01867	1.1
55.05510	1.6
57.03423	1.7
57.07078	1.4
57.12911	0.8
60.73180	0.8
61.02908	1.5
67.05508	7.1
69.03425	3.0
69.07072	2.2
69.58065	7.4
71.04990	7.3
79.05487	8.2
79.64558	0.8
81.07054	1.1
83.01888	0.8
83.04985	2.0
84.82298	1.0
85.02911	12.1
85.06544	50.7
87.04444	0.9
91.05489	7.6
93.07046	5.8
93.21298	1.0
95.04956	1.6
97.02883	3.5
97.06503	0.9
99.08111	2.7
105.07031	8.3
107.04960	3.6
107.08602	8.7
109.02874	1.2
109.06522	2.2
111.04444	6.7
117.06991	2.3
119.08594	7.2
121.06506	4.3
121.10145	9.3
125.06004	3.0
127.03859	2.4
129.07005	2.2
131.08575	28.0
135.08032	1.3
135.11719	1.7
137.05998	1.3
137.09608	3.0
143.07155	0.9
145.04924	1.2
145.10152	12.6
147.08060	1.6
149.06107	1.2
149.09625	29.9
153.05420	1.1
155.08649	1.0
163.07564	1.4
163.11157	10.9
165.09183	5.0
167.07079	2.8
167.10667	15.2
173.09668	3.3
191.10672	34.1
209.11731	45.2
227.12784	100.0
228.13203	1.3
236.25150	1.0
259.11542	1.1
309.00131	1.0
318.47885	1.1
319.37537	1.1
337.70642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3517
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
55.05502	7.5
56.96571	1.5
57.03443	1.8
57.07066	2.1
67.05507	13.6
68.21290	1.0
69.03430	2.1
69.07070	15.9
69.95958	2.1
69.96363	6.5
79.05499	10.0
81.03411	1.2
81.07057	24.8
82.07359	1.2
83.05000	1.9
83.08598	3.2
85.02907	1.9
91.05470	12.1
93.07047	19.7
95.04982	3.0
95.08605	50.6
97.02894	2.5
97.06526	2.1
97.10171	4.8
105.07032	25.3
106.07279	1.4
107.07866	1.9
107.08596	33.7
108.08918	1.1
109.02876	1.1
109.06506	1.4
109.09460	1.9
109.10161	24.5
111.04470	1.3
115.05431	1.3
117.07047	6.0
119.04960	1.2
119.08577	31.7
121.06499	1.9
121.10148	17.4
123.08076	2.6
123.11711	11.3
127.03891	1.1
129.06999	2.9
130.07776	2.2
131.08556	12.7
133.06505	1.6
133.10123	20.5
135.08086	2.5
135.11690	15.0
136.99966	1.1
137.05995	2.9
137.13237	7.1
141.07045	1.0
143.08569	8.1
144.09245	1.9
145.10123	19.1
147.08081	1.4
147.11702	13.5
149.13258	7.1
150.44781	1.0
151.14844	1.2
155.08559	3.3
156.09344	2.0
157.10141	9.2
158.10910	1.5
159.08060	1.8
159.11679	23.3
161.13271	11.3
163.14833	4.9
165.09189	1.6
167.07037	2.1
167.08559	1.4
169.10138	2.8
171.11713	9.5
173.13257	14.5
175.07678	1.3
175.14835	8.4
177.16457	8.7
181.04993	2.8
181.10106	3.7
183.11754	4.8
185.11807	1.4
185.13222	6.0
186.14059	2.0
187.14830	12.3
189.16383	18.1
191.17918	6.1
197.13281	4.3
199.14803	8.0
201.16382	33.5
202.16701	1.4
203.17970	14.9
205.19490	1.8
207.10207	1.8
209.13206	1.5
211.14799	4.9
213.16396	8.6
215.17967	26.0
215.19910	2.0
216.18423	1.5
217.19571	5.2
225.09200	1.5
225.11218	2.4
225.16454	2.9
227.17918	7.2
229.19467	7.6
231.20964	1.3
237.16374	1.7
239.17874	3.1
241.19490	5.0
243.21153	5.0
251.18034	1.4
253.19504	5.9
255.21126	9.3
257.22742	1.4
265.19489	1.5
266.20038	1.3
267.21048	7.7
269.22638	5.1
279.21152	1.5
281.22629	2.8
282.22876	1.6
285.10168	1.3
295.24139	3.2
302.11356	1.3
307.24182	3.3
309.25928	2.7
321.25595	1.2
335.27475	1.6
349.29132	1.6
359.22235	2.3
363.30533	1.8
387.21512	2.8
405.20947	5.2
405.35184	100.0
406.30057	1.7
406.35367	8.0
416.78445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3001
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
55.05507	21.1
57.07076	64.6
59.41796	4.8
67.05508	26.5
69.07066	30.8
70.07213	26.0
79.05484	18.6
81.07051	39.6
83.04982	6.2
83.08617	16.7
85.06520	5.1
88.41573	4.4
88.53098	4.1
91.05476	15.0
93.07034	49.7
95.08618	92.8
97.06520	8.5
97.10163	11.2
105.07040	32.1
107.08591	55.2
109.10159	72.2
119.08589	44.4
119.79460	4.9
121.10145	57.5
123.08084	4.5
123.11726	17.2
131.08589	10.3
133.10150	44.2
135.11678	36.9
137.13271	6.0
139.07556	7.1
141.09142	4.6
145.10143	18.1
147.11691	35.6
149.13271	34.3
159.11682	19.7
161.13290	26.0
163.14819	27.2
173.13268	17.8
175.14827	15.4
185.13391	5.5
187.14807	23.8
189.16463	5.1
191.17900	30.1
201.16431	14.3
203.17941	22.8
207.13808	12.2
221.15379	8.0
233.15353	7.2
247.16957	15.7
257.22571	41.0
267.21143	4.8
285.22128	19.7
303.23187	100.0
303.26407	8.5
304.23300	8.1
308.56628	5.9
321.24225	7.6
405.35028	6.1
418.63806	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	405.3001
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
50.40938	1.1
53.03946	3.4
55.05511	52.5
55.30360	1.1
56.96569	2.6
57.03423	2.2
57.07058	2.1
65.03954	1.2
65.84117	1.2
67.05190	1.5
67.05495	8.1
69.03425	3.4
69.07073	12.2
71.08605	1.4
71.60336	1.5
71.60764	1.8
79.05502	7.8
81.07059	20.2
83.04981	100.0
83.08623	5.9
84.05322	2.6
85.02899	2.1
85.06516	2.1
89.19456	1.3
91.05479	7.8
93.07050	19.6
95.04971	3.3
95.08603	14.7
97.02890	1.3
97.06539	3.8
97.10184	2.5
105.03408	1.3
105.07040	10.9
107.04920	1.5
107.08601	11.2
109.06512	4.4
109.10148	9.3
111.08080	2.2
117.06936	1.4
119.08585	10.2
121.10136	15.7
123.08085	8.7
123.11694	9.4
125.09608	1.9
131.08598	4.4
133.10144	7.9
135.08049	6.6
135.11703	3.4
137.09621	3.0
137.13284	1.7
139.11168	4.2
143.08566	2.8
145.10138	4.0
147.11705	6.4
149.09669	3.8
149.13287	4.1
151.11163	1.2
153.12784	1.3
157.10126	2.6
159.11700	4.0
161.09622	2.0
163.11171	1.4
165.12750	1.9
167.10678	2.6
167.44791	1.1
171.11682	2.9
173.13313	2.2
175.11304	2.1
175.14792	5.0
177.12672	1.6
177.16328	1.9
179.14346	7.9
189.16362	1.9
193.12285	2.6
193.15993	1.6
199.14912	1.4
207.17439	1.9
213.16429	1.8
217.49515	1.2
267.09216	1.7
269.22784	1.8
287.23669	2.8
289.21652	2.7
305.24713	3.4
331.26373	2.8
349.27466	2.1
405.24942	1.1
405.30112	23.4
405.35349	2.2
406.30447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	18.5
57.07074	5.3
63.54179	2.9
67.05513	46.4
69.07083	19.9
70.08346	17.6
71.04977	5.1
79.05499	20.4
81.05531	3.0
81.07061	42.5
83.04975	11.6
83.08627	11.5
85.06555	6.1
91.05482	24.2
93.07044	40.6
93.83470	3.1
95.04990	9.4
95.08615	59.7
97.06534	8.2
105.07039	51.5
107.08598	49.9
109.06508	6.0
109.10170	56.4
111.04432	22.7
111.08094	7.1
115.05499	4.3
117.07008	9.1
119.08582	88.2
121.06534	5.0
121.10139	30.0
123.08096	8.9
123.11703	20.9
124.52035	3.2
125.06035	3.9
128.06184	3.6
129.07109	3.4
131.08568	20.6
133.10146	53.6
135.08043	11.8
135.11662	16.6
137.09612	18.0
142.07751	4.2
143.08582	12.9
145.10117	32.5
147.08078	4.0
147.11707	41.3
149.09546	4.6
149.13260	10.4
151.07552	5.8
151.11192	16.7
153.09105	5.7
155.08549	5.4
157.10153	19.1
159.11700	35.6
161.09648	6.7
161.13252	18.2
163.11142	3.7
163.14853	21.8
165.09106	5.0
165.12695	4.7
167.10741	3.5
169.10143	11.7
170.10962	3.8
171.11740	19.0
173.13252	24.1
175.14868	9.1
177.12773	5.1
179.10773	5.4
183.11719	13.4
185.13263	15.4
187.11209	8.5
187.14847	13.8
189.16428	8.5
191.10687	5.1
195.11638	4.8
197.13321	12.4
199.11098	3.9
199.14905	7.1
201.12767	6.1
201.16406	7.1
203.10776	3.7
205.12291	11.1
205.15863	7.6
211.14761	7.0
213.12885	4.8
213.16389	6.8
215.10654	4.9
215.14313	6.0
215.17923	6.5
219.13794	4.6
229.12236	7.5
233.15324	4.8
237.16331	3.4
239.17972	9.6
243.13847	6.6
253.19586	10.4
257.15494	4.0
257.19058	12.3
271.20642	11.1
273.18402	4.9
275.20105	16.3
281.19003	14.5
289.21622	8.7
299.20102	69.1
317.17450	5.1
317.21146	100.0
386.32883	3.7
405.26566	13.4
405.35272	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2637
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03936	9.4
55.01873	11.6
55.05518	31.4
57.03429	8.0
64.99158	3.1
67.05510	54.3
69.03439	22.7
69.07069	22.9
71.04977	8.1
71.61779	3.6
79.05497	53.1
81.03425	23.5
81.07063	60.8
83.04984	27.0
83.08620	13.4
85.02890	8.8
86.17316	2.8
87.97741	2.8
91.04966	4.2
91.05493	49.8
93.07050	59.7
94.93491	3.8
95.04967	22.3
95.08613	45.0
97.02897	10.5
97.06537	9.0
97.10162	4.2
99.04481	6.1
105.07033	66.2
107.04945	9.9
107.08594	42.9
109.02880	7.1
109.06498	12.2
109.10165	22.7
111.04428	12.4
111.08050	6.9
115.05481	4.4
117.07036	26.6
119.08593	52.3
121.06525	10.2
121.10171	27.0
123.04430	5.1
123.08070	12.4
123.11710	7.5
127.03949	3.9
128.06236	4.0
129.06999	21.7
131.08575	40.9
133.06505	8.3
133.10135	34.9
135.08066	12.1
135.11697	19.3
137.06000	3.7
137.09581	4.3
141.06926	6.7
143.08572	21.8
145.06490	7.2
145.10129	35.8
147.08061	9.1
147.11682	26.6
149.09608	7.9
149.13261	6.3
151.07637	3.4
155.08521	10.7
157.10162	18.3
159.08060	7.7
159.11707	28.7
161.09647	10.8
161.13245	13.4
163.11160	8.0
169.10135	12.9
171.11694	17.4
173.09590	5.8
173.13287	27.2
175.11176	7.1
175.14867	5.2
181.10161	4.2
183.08035	4.5
183.11684	11.7
185.09598	5.1
185.13261	13.1
187.11150	5.0
187.14832	8.9
189.12798	6.8
195.11679	6.4
197.09581	4.3
197.13266	5.1
199.11290	3.9
199.14777	8.6
201.12820	4.2
201.16457	4.8
205.12267	3.7
209.13385	3.5
213.12781	4.6
213.16452	4.7
239.14267	3.5
251.18147	4.0
257.40082	3.9
259.20593	6.5
271.20456	5.2
273.22214	6.0
275.20175	3.9
277.21634	5.5
285.22141	5.3
289.21692	9.6
299.19836	5.2
301.21701	14.3
303.23019	8.3
313.21698	4.2
315.23355	11.6
319.22665	9.0
323.23672	5.2
327.23022	6.2
331.22568	4.8
341.24820	10.1
345.24362	8.3
351.23212	15.5
359.25833	3.9
369.24277	50.0
387.25262	45.5
405.26410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2635
Annotation	Briarellin R
Peak:m/z	Relative Intensity
55.01862	5.6
55.05521	16.2
56.04535	3.0
56.96553	3.9
57.03432	3.7
57.07064	4.1
57.17123	3.1
63.82323	3.1
63.92064	3.1
67.05501	42.8
69.03417	10.6
69.07066	17.4
71.04986	8.2
71.08620	5.9
71.57788	6.3
73.66746	3.6
79.05487	11.1
81.07060	27.6
81.68178	3.2
83.04983	11.3
83.08601	8.0
86.47506	3.1
86.73555	3.3
89.99364	3.7
91.05482	13.8
93.07048	31.6
95.04974	31.1
95.08608	31.1
96.64218	3.4
97.06513	9.3
100.88624	3.1
105.07033	21.1
107.08589	31.7
109.06550	7.1
109.10156	100.0
111.08033	5.0
113.66341	3.5
117.06996	5.3
119.08593	26.1
121.06461	6.3
121.10161	19.7
123.08066	11.9
123.11711	7.9
129.07001	4.4
131.08563	14.9
133.10164	23.6
135.08058	55.5
135.11696	8.2
137.09615	5.5
138.31033	3.3
143.08580	8.4
145.10138	21.0
147.08011	6.5
147.11719	24.6
149.09601	13.4
156.09328	4.1
157.10103	10.6
159.07999	4.3
159.11664	22.3
161.09648	15.4
161.13239	12.3
163.11237	4.4
169.10094	4.6
171.11713	10.5
173.09642	5.8
173.13274	13.6
175.11165	16.0
175.14825	8.1
177.12735	4.7
179.14261	13.9
183.11720	13.4
185.13271	7.1
187.11195	9.5
187.14819	7.7
189.12717	9.9
191.10715	3.9
195.11754	4.4
197.13272	9.3
199.14827	4.3
201.12822	8.3
203.14426	16.2
203.17906	10.4
210.14026	5.6
211.14851	8.3
215.10767	4.7
215.14297	9.5
229.12352	7.8
229.19502	7.2
237.16394	8.0
239.17892	18.1
253.19382	6.9
257.19031	28.2
271.20560	13.9
272.49146	4.3
275.20346	3.7
277.91388	3.8
278.21957	8.5
281.19107	9.1
281.69672	3.4
296.23264	4.7
299.20023	60.6
300.20358	3.5
317.21317	5.3
345.24289	16.3
350.58102	3.7
359.25620	6.7
367.08209	3.6
387.25262	53.0
405.25833	6.1
405.30618	17.2
409.10742	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	405.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
53.15982	0.7
55.05506	2.1
56.05037	1.1
57.07066	2.6
60.67434	0.7
65.03939	1.3
67.05507	9.3
69.03425	2.0
69.07066	9.2
70.06594	1.0
70.17428	0.7
71.08600	1.3
71.13979	1.5
73.98325	0.7
79.05499	8.9
81.03408	2.0
81.07056	100.0
82.07372	1.1
83.08629	1.3
85.02909	1.5
86.09704	1.2
91.05477	3.0
93.07032	3.6
95.08606	41.6
96.08945	0.9
97.02871	1.0
98.98429	4.2
99.04455	1.1
99.08118	0.8
103.05501	0.9
104.05309	0.9
105.07026	4.8
107.05006	1.6
107.08623	3.2
109.02885	1.3
109.10189	2.6
111.04474	0.9
115.05479	0.8
119.04977	0.9
119.08587	1.6
120.08100	0.9
121.06525	0.8
123.04432	5.8
127.03925	1.2
129.06969	0.8
131.04924	0.9
131.08578	1.1
133.06447	0.8
133.10167	1.9
135.04433	1.4
135.11690	1.1
137.02379	1.8
137.05984	3.6
137.13255	64.7
138.13615	2.3
139.11128	0.8
141.06985	1.0
143.08623	0.8
145.02863	0.9
145.10120	2.0
147.04424	2.1
151.07504	1.2
153.12775	2.5
155.08617	0.9
159.11690	1.0
161.06026	2.5
163.03876	7.7
167.07057	4.2
169.10158	3.3
173.06020	3.2
179.07048	1.6
181.04993	2.9
187.14883	1.1
191.07170	1.2
191.46455	0.7
195.06531	1.6
197.09682	2.6
201.09158	3.1
203.06927	1.3
215.10712	11.7
225.06493	0.8
225.16304	0.8
231.02895	1.5
235.10942	5.6
239.08192	2.2
243.07909	0.9
243.10234	2.6
245.12930	2.9
253.09709	1.4
267.07639	1.7
271.10858	1.4
281.09082	1.9
299.10352	2.9
309.08887	2.2
310.08975	0.9
327.09769	5.7
345.10757	7.8
345.13974	0.9
346.11115	1.1
373.10129	6.1
373.14404	1.0
377.15982	1.1
405.15524	3.7
405.31467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72734	0.5
53.03947	1.0
55.01881	4.3
55.05510	9.8
57.03438	4.4
57.07082	3.7
58.02693	0.5
67.05510	6.2
68.09830	0.5
69.03442	1.2
69.07072	9.2
69.07417	0.9
69.68157	0.5
70.65088	1.6
70.65452	0.4
71.05016	0.8
71.08631	1.8
75.82487	0.5
79.05497	5.7
81.03420	0.9
81.07058	8.0
83.04996	0.9
83.08620	8.4
85.02942	0.6
85.06541	0.6
85.10164	0.7
91.05481	3.8
93.07050	4.6
94.98959	0.8
95.04976	1.5
95.08615	6.4
97.02952	0.6
97.06570	1.2
97.10182	5.8
98.98491	0.4
102.68658	0.4
105.07034	4.9
107.08614	4.6
109.10174	3.6
111.04400	0.7
111.08063	1.1
111.11739	1.6
113.00020	91.7
117.07031	1.7
119.08595	3.1
121.10140	5.3
123.11758	0.6
125.09609	0.8
127.07689	0.4
127.16872	0.5
129.01865	1.4
129.07024	1.5
131.01074	1.1
131.08556	2.0
133.06494	0.6
133.10114	2.8
135.11679	3.8
137.13280	1.0
143.08575	1.9
145.10103	3.4
147.08115	0.5
147.11700	2.0
149.13272	1.2
151.01512	0.7
154.02646	1.4
157.10124	1.4
159.11673	2.1
161.13243	0.6
163.14809	1.0
169.02617	100.0
170.02989	0.9
171.11702	1.0
173.13277	1.3
175.14836	0.7
177.16493	0.5
181.10069	0.5
185.13293	0.8
187.14764	0.6
189.16165	0.6
197.13197	1.1
201.16365	0.9
206.59384	0.5
219.21121	1.8
237.22124	7.4
255.77373	0.5
259.20670	0.6
301.21445	1.4
315.23306	0.7
327.23190	0.7
351.23230	1.4
369.24225	2.3
387.25302	3.4
405.26547	5.3
405.35178	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2272
Annotation	Caesalpinin N
Peak:m/z	Relative Intensity
55.01865	1.4
55.05510	6.1
65.03925	2.5
66.53448	1.2
67.05506	16.5
69.03448	3.0
69.07057	5.5
71.57856	1.4
79.05495	5.4
81.07059	10.2
82.07421	1.2
83.04971	5.4
83.08611	3.5
91.05474	6.7
92.95142	1.2
93.07047	9.0
94.39127	1.1
94.46534	1.1
95.04969	14.4
95.08609	16.9
96.08945	1.4
97.06538	3.0
105.07053	9.2
107.04992	1.1
107.08606	15.8
109.06512	3.7
109.10157	18.0
111.04453	2.6
115.26677	1.4
119.08580	18.1
119.76606	1.2
121.06507	3.5
121.10146	11.7
123.08059	6.4
123.11727	8.1
131.08554	5.0
133.06483	2.0
133.10127	10.9
135.08047	19.2
135.11687	8.7
135.12657	1.7
137.09596	3.1
137.13225	1.2
143.08513	3.5
145.06465	1.5
145.10143	6.9
147.08066	4.8
147.11682	6.9
149.05940	1.5
149.09654	3.4
149.13289	2.8
157.10147	5.6
159.08090	4.1
159.11720	8.7
160.12163	1.2
161.09592	7.2
161.13263	8.7
163.11211	3.1
163.14836	6.6
165.09087	4.3
169.10129	2.9
170.10861	2.2
171.11671	5.9
173.09637	4.7
173.13251	9.3
174.10329	1.7
175.11172	6.8
175.14764	6.2
177.12878	1.4
177.16386	6.4
179.08505	1.4
183.11691	4.2
185.13274	4.0
187.11162	6.6
187.14838	4.7
189.12737	1.7
189.16272	1.3
195.11594	2.2
197.13319	4.9
199.14798	3.3
201.12703	6.2
201.16351	2.0
203.14265	9.8
211.14853	2.3
213.16441	1.3
215.10643	1.8
215.14330	5.4
219.13820	1.3
221.15372	6.2
224.15613	1.8
225.16504	1.4
229.12308	2.9
229.19528	4.9
239.18004	3.6
243.21109	3.8
253.19484	2.7
257.19031	11.8
271.20575	9.0
275.20038	9.1
289.21439	1.6
299.20157	7.1
299.23151	1.6
317.21600	1.5
345.20560	15.0
359.22177	52.0
360.22675	2.2
387.21658	100.0
388.22128	4.4
405.22601	3.9
405.31580	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48134	2.2
53.03933	4.5
55.01870	4.1
55.05504	20.6
55.38824	2.5
57.03420	3.0
57.07063	3.3
60.84586	2.3
61.41609	2.2
65.03944	3.9
65.62386	2.7
67.05170	4.0
67.05507	49.0
69.03426	4.4
69.07072	15.1
69.65089	17.9
71.04978	7.1
75.33034	2.5
79.05491	18.3
81.07055	47.2
83.04971	9.5
83.08632	13.8
85.06535	8.9
91.05482	32.1
93.07044	46.0
95.04955	8.2
95.08604	72.9
97.02895	7.5
97.06534	12.6
97.10138	4.4
105.07027	65.2
106.07366	2.9
107.04946	8.9
107.08591	56.3
108.46047	2.4
109.06516	9.1
109.10154	69.6
111.04439	35.4
111.08060	10.2
117.06995	10.5
119.08575	100.0
121.06500	10.2
121.10135	38.4
123.08058	11.9
123.11703	19.8
125.05982	7.4
125.09615	4.6
127.07461	2.9
129.06990	7.3
131.08574	23.4
133.10135	57.2
133.11082	4.6
135.08072	9.3
135.11693	17.9
137.05960	5.9
137.09561	13.7
137.13229	5.8
139.07509	2.8
141.06969	3.4
142.07826	3.3
143.08528	17.4
145.10124	35.2
147.07985	5.2
147.11691	45.4
149.09666	6.5
149.13249	7.5
151.11206	10.5
153.09088	6.2
155.08580	10.2
156.09328	6.6
157.10144	18.9
158.10844	2.4
159.11684	34.9
160.12289	3.0
161.09593	11.5
161.13260	17.7
163.11188	6.1
163.14818	13.4
165.09084	3.9
165.12747	2.7
167.08601	3.9
167.10631	3.0
169.10123	11.0
170.10994	2.9
171.11684	18.5
173.09622	8.8
173.13261	24.1
175.11241	5.6
175.14838	10.3
177.09181	2.6
177.12724	3.8
177.16354	4.7
179.10670	7.4
181.12299	4.0
182.10915	3.1
183.11711	15.7
185.13254	9.2
187.11165	10.3
187.14850	13.9
189.09222	3.1
189.12715	3.5
189.16357	7.1
191.10649	6.1
195.11711	7.6
197.13188	12.8
199.11119	2.8
199.14844	7.1
201.12700	8.4
201.16348	10.3
203.10628	3.3
205.12198	8.3
205.15820	7.6
207.11928	2.8
209.13353	4.5
211.11203	4.2
211.14775	7.9
213.12778	3.9
213.16379	6.7
215.10730	3.5
215.14351	4.8
215.17970	5.8
217.12276	8.1
219.13814	5.0
225.12793	3.8
227.17912	6.2
229.12340	3.5
229.19539	5.4
231.13794	4.5
233.15305	5.5
237.16405	4.0
239.18015	10.0
243.13791	5.3
243.21077	5.5
245.15398	3.0
253.15898	3.1
253.19539	7.1
255.17412	3.9
257.15311	4.1
257.19067	15.4
259.17020	6.2
271.20557	10.9
273.18521	8.1
275.20065	20.7
281.19089	14.1
289.21637	8.3
299.20065	64.5
317.21094	66.8
318.21582	3.1
387.24951	3.0
405.21817	2.9
405.26340	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1548
Annotation	Nitidanin
Peak:m/z	Relative Intensity
50.03701	0.7
53.03936	1.6
55.01864	1.5
55.05497	1.0
55.66409	0.7
57.03426	0.9
65.03945	6.9
67.05507	3.7
69.03427	2.1
69.52625	5.6
71.80421	0.7
79.05499	6.5
81.03423	3.8
81.07054	2.8
82.04189	1.8
83.04951	0.8
85.02922	5.2
86.09685	1.2
91.05491	4.0
93.03418	1.6
93.07039	1.2
94.04191	0.9
95.04984	4.9
96.35188	0.7
97.02910	2.0
97.06532	3.2
98.20746	1.5
98.97584	1.1
99.04424	0.9
103.05454	0.9
105.07047	2.6
107.04959	14.9
108.02097	0.8
109.02881	1.0
109.06508	1.5
109.10149	1.1
110.03656	3.5
111.04439	2.3
114.37421	0.7
115.05482	4.7
117.07015	2.5
119.04997	1.0
119.08602	1.6
121.06432	1.0
122.03656	2.4
123.04436	2.2
124.05206	2.4
125.05990	3.1
127.03906	2.6
128.06242	2.6
129.07028	8.9
131.04958	1.7
131.08591	1.3
133.06505	2.8
137.05986	32.3
138.03128	1.3
138.06323	1.1
139.03851	0.8
141.05432	1.2
142.02621	1.1
143.04915	4.2
144.05664	1.2
145.06516	4.7
146.07205	1.0
147.04427	2.0
147.08057	2.4
151.03932	15.9
151.05040	1.7
152.04654	1.5
153.05482	1.8
155.08629	0.7
157.06500	9.8
157.08514	0.7
159.04445	1.1
159.08009	1.4
160.05203	1.8
161.06023	5.5
161.09644	1.8
163.07643	0.7
165.05469	1.3
167.07062	36.2
168.07372	0.7
171.04422	4.5
171.06569	6.4
172.05196	5.5
173.05994	3.9
174.06795	2.3
175.07555	5.8
177.05510	1.6
177.09119	1.6
179.07086	1.3
181.04973	100.0
182.05345	2.6
182.41055	0.7
183.06589	1.2
184.03624	0.8
187.07498	4.1
189.05467	1.9
189.09138	10.5
191.07050	4.3
191.08569	0.9
191.10692	0.9
193.04910	0.9
195.06531	4.2
200.04678	2.6
203.07039	12.1
203.08723	1.4
204.02898	1.1
204.07639	0.8
205.08659	3.9
206.05771	1.2
207.06523	1.6
215.06972	1.1
218.05695	4.7
219.06389	1.0
219.08261	1.3
219.10170	1.8
221.08069	8.3
222.03984	2.4
233.08101	46.2
234.08548	1.7
235.07619	1.1
235.09715	1.9
238.21275	1.0
243.11253	1.0
243.50067	0.7
245.08189	1.8
247.07533	1.7
248.08269	0.8
249.09193	1.6
251.09196	5.7
262.06244	0.9
263.06934	1.0
263.09216	10.7
265.08755	1.1
276.07941	1.6
277.08548	2.0
291.10333	1.1
293.08008	1.3
294.08847	1.8
295.09637	1.0
297.11313	1.5
301.07034	1.4
305.08151	1.0
307.09848	1.1
309.11301	3.1
316.09326	1.0
321.07507	1.0
325.10730	2.9
327.12549	1.3
331.09454	1.0
337.10675	4.0
339.12228	2.2
341.13870	2.6
342.10941	1.7
351.12314	3.4
354.11087	1.5
355.09406	1.3
357.13373	9.6
365.21176	0.9
369.13376	6.3
373.10449	2.5
375.14493	1.8
387.14468	28.5
388.14542	1.0
405.16071	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1522
Annotation	Mallotophenone
Peak:m/z	Relative Intensity
56.96576	3.1
67.05518	0.6
69.07033	1.0
69.84641	3.2
70.06583	1.4
72.08139	1.3
72.41698	0.6
79.05524	0.6
81.07053	1.1
84.04493	1.7
85.02893	1.8
86.09697	2.3
91.05484	0.8
93.07037	0.7
95.04942	1.5
97.02882	0.9
98.97589	1.4
102.82406	0.5
105.70316	0.6
107.04915	0.7
111.74702	0.4
116.98602	0.7
119.08466	0.7
130.06552	0.6
133.01753	0.8
139.11201	0.8
144.06528	0.8
145.01747	0.9
147.04488	0.6
151.07579	0.6
156.10172	0.8
159.03368	0.6
161.01257	1.0
161.09306	0.8
162.02310	0.5
162.07587	0.6
163.02771	0.8
165.08963	0.6
167.07013	1.3
173.04829	1.1
183.06584	0.8
185.04854	0.6
191.10425	0.6
199.06456	1.0
203.05913	2.5
203.07597	1.2
209.11702	0.6
213.40617	0.5
217.07443	1.1
221.06819	0.8
221.74298	0.7
225.07846	1.3
243.09015	4.4
245.06926	1.4
259.11298	2.5
261.10107	14.8
262.10406	0.7
267.37106	0.8
279.11087	1.1
284.12003	0.5
306.92664	0.6
332.11737	0.6
373.12863	1.1
374.42505	0.6
405.15085	100.0
405.67282	0.8
406.15704	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	405.1524
Annotation	Mallotophenone
Peak:m/z	Relative Intensity
55.05482	2.2
55.66496	1.7
56.05023	1.7
56.96554	8.3
57.03416	2.5
57.92181	1.5
61.02892	1.9
67.05464	3.1
69.03442	9.2
69.07036	2.0
70.06554	6.6
70.06894	1.6
71.04968	3.9
71.59054	3.0
72.08163	13.8
74.00670	1.7
74.06052	2.0
79.05460	3.7
81.03378	6.0
81.07027	2.2
83.04984	2.2
84.04475	3.6
84.08109	6.7
85.02904	16.8
85.06520	3.7
86.09711	20.2
87.04404	2.8
91.05453	4.1
93.06989	4.7
95.04923	3.6
95.08543	2.4
97.02932	7.9
98.97530	3.2
99.04456	1.7
105.06981	3.2
107.04934	2.9
107.08546	4.2
108.02695	1.6
109.02862	4.4
110.50078	1.7
116.98531	1.8
119.04899	2.3
119.08490	2.1
119.83315	1.6
121.06427	2.7
121.10113	2.4
123.04369	1.9
127.03848	6.0
129.10205	3.9
131.00061	2.3
131.04895	1.8
131.08496	5.6
134.76884	1.6
134.99619	2.4
137.05952	3.3
141.05383	5.0
145.04910	3.0
145.10043	3.1
147.04369	4.5
149.09604	3.2
155.11699	4.0
161.01056	2.1
162.02252	3.6
163.02716	1.7
167.06989	4.0
167.10506	1.8
169.04916	16.5
173.04778	4.3
173.12802	2.0
175.10661	2.2
177.05437	2.6
191.10580	5.3
195.06374	1.8
201.04134	3.2
201.12416	2.0
203.12120	1.9
205.11775	1.7
207.09828	2.1
209.11603	5.2
225.90082	1.7
227.12738	4.5
231.02817	3.1
231.11583	3.5
237.02689	2.5
243.05351	3.4
243.09042	14.9
261.09943	7.1
280.16452	2.0
307.06113	1.9
361.30112	1.7
377.01630	1.6
387.13019	12.9
387.21796	1.8
405.14987	100.0
406.15372	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	405.1526
Annotation	Flustramine H
Peak:m/z	Relative Intensity
56.05037	1.2
56.96571	1.6
57.03428	2.7
58.06607	1.3
60.05650	1.1
61.02914	1.1
62.06083	2.4
63.06433	0.9
69.03426	4.2
70.06587	4.9
71.04995	2.8
71.58307	1.4
72.08144	5.6
73.02924	1.2
74.06065	2.3
74.09717	1.7
81.03413	2.1
84.04499	2.8
84.08165	4.6
85.02904	8.3
85.89817	1.0
86.09702	10.8
94.93025	5.4
97.02881	3.7
98.97585	3.1
99.04462	1.1
101.00896	1.1
102.05526	1.5
103.71400	1.1
113.07109	1.3
116.07122	3.6
116.98625	2.0
118.03505	1.1
118.08676	8.3
119.01926	4.2
126.05553	1.2
127.03915	3.8
128.98679	1.6
129.10237	1.4
131.01892	1.8
134.99733	1.9
137.02948	1.4
143.01942	2.0
145.03500	2.1
145.04889	1.1
146.99684	1.6
147.01355	1.0
148.06058	1.1
156.04253	3.6
157.03539	1.4
161.02945	3.6
163.03989	1.1
163.52760	1.0
167.02173	1.0
169.03409	1.0
173.02971	2.9
174.04482	1.8
174.90575	1.0
175.04553	1.8
176.07735	4.8
176.75012	1.1
177.00705	1.5
183.05060	2.1
185.03040	2.0
187.02731	1.2
199.04524	1.8
202.89189	1.7
206.88490	1.2
208.97392	1.4
212.07782	1.7
212.85184	1.5
213.00432	1.0
219.01889	3.2
221.04872	1.8
232.90173	3.0
245.04991	2.9
248.89719	6.0
255.02080	2.0
263.05927	1.1
269.00162	1.3
273.03177	1.9
274.10257	1.1
275.14572	3.1
288.20337	4.9
290.05450	1.4
306.90253	1.0
306.94699	1.2
315.02414	1.8
321.10345	2.1
363.06467	1.8
373.21088	1.4
405.15256	100.0
406.10989	2.3
406.15643	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	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.4
55.05509	23.5
57.03423	17.0
57.07067	3.5
67.05505	49.9
69.07057	21.3
69.26794	3.3
71.08617	9.0
71.58949	3.2
71.59368	4.0
79.05489	28.8
81.03398	6.2
81.07059	53.3
83.04987	19.2
83.08614	15.4
84.04484	3.7
91.05486	22.9
93.07046	45.3
95.04958	10.4
95.08616	28.1
97.06509	11.7
99.08109	10.5
103.59225	3.4
105.07025	18.5
107.04932	4.2
107.08594	37.1
109.06513	3.2
109.10137	15.9
111.04498	3.8
114.62344	3.9
116.98603	5.5
117.07004	10.7
119.08574	16.3
120.08945	4.8
121.06555	5.4
121.10146	19.0
123.11712	5.2
125.09624	6.2
131.08502	8.6
133.10129	14.5
135.08054	7.2
135.11673	8.5
137.09557	3.4
145.10088	7.0
147.11661	4.0
149.13237	16.7
151.11198	5.4
157.10184	6.7
159.11694	12.4
161.13269	6.0
173.11775	4.7
177.12689	7.9
195.13744	8.5
227.12735	5.2
229.14314	5.2
269.14572	5.5
269.17477	100.0
270.18100	3.8
277.21558	5.6
299.20520	4.2
351.25333	22.1
375.07281	4.3
404.29239	4.3
405.11826	12.6
405.22284	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	405.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.7
55.26049	0.8
56.17713	0.9
63.55141	0.7
67.05497	2.3
71.04607	2.4
79.05498	1.1
81.07061	6.6
83.08631	1.2
85.02891	0.9
89.15825	0.7
91.05493	1.6
93.07027	0.9
95.04991	1.0
95.08648	2.0
97.06505	1.0
102.19970	0.8
105.07040	1.0
107.04973	1.5
108.08097	1.2
109.02872	1.0
109.10169	0.9
119.04946	0.9
121.10148	1.2
129.07051	1.0
131.08598	0.9
133.06451	1.0
137.05998	3.6
145.10143	1.3
147.04416	1.1
149.05963	1.0
151.03920	0.9
161.06099	0.9
167.07085	3.0
172.95326	1.2
181.04974	3.3
184.07607	1.0
185.10829	1.5
189.10136	1.4
197.07080	11.1
198.07716	1.6
198.09314	1.5
199.08669	2.8
201.11292	0.9
208.64697	0.9
210.07835	1.2
211.08690	10.5
212.09364	1.1
213.10228	2.6
225.06595	16.5
225.10149	9.6
226.07048	1.7
226.08885	1.7
227.08183	2.6
227.11891	2.1
228.10370	1.8
229.09669	1.1
233.08131	1.2
235.08650	1.5
237.06544	1.0
239.04477	2.7
239.08165	26.5
239.10611	1.5
240.08914	3.0
241.09808	1.8
243.07735	4.9
245.12852	22.9
253.06036	1.7
253.09702	17.7
254.06839	1.0
254.10185	1.4
255.07593	2.5
255.11348	3.3
257.05618	4.7
257.09256	9.4
259.10336	0.9
267.07675	17.0
268.08212	1.1
269.09229	1.4
271.07855	1.4
271.10797	9.7
273.08719	2.5
281.05963	0.9
281.09207	18.8
283.10721	2.2
285.08691	7.6
286.09476	1.0
288.14066	2.7
289.11835	5.5
289.14731	1.1
293.09219	2.6
297.08618	1.9
299.06860	1.9
299.10251	30.1
300.10590	1.2
301.11673	1.7
309.08710	22.8
311.10330	5.7
313.08212	1.9
317.11310	3.4
327.09766	58.8
328.10141	1.4
329.11292	9.7
331.09262	1.4
337.08105	3.2
345.10818	88.7
346.11444	1.5
355.09039	6.3
373.10315	100.0
374.10446	2.0
377.13248	1.0
387.11502	4.7
405.12897	25.6
405.31137	2.5
406.12833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.8
55.01868	6.6
55.05516	23.2
56.96559	8.5
57.03428	19.1
60.88712	4.6
67.05502	68.5
69.07064	26.6
70.34521	18.0
71.04975	4.3
71.08641	19.6
79.05495	43.9
81.03392	5.2
81.07050	72.8
82.07357	4.6
83.04961	19.0
83.08611	18.5
85.02908	4.7
91.05478	36.1
93.07046	68.7
94.07346	5.0
95.04965	19.2
95.08607	38.2
96.08959	6.0
97.02876	8.3
97.06514	11.1
97.10196	10.7
99.08108	21.2
105.07022	33.1
107.04945	4.2
107.08600	40.0
109.06528	5.5
109.10162	17.7
111.08078	9.3
117.07018	11.8
119.08562	26.2
121.06484	4.5
121.10172	25.4
123.08087	7.0
123.11736	6.1
131.08554	13.1
133.10123	16.3
133.92419	4.2
135.08041	24.6
135.11659	14.4
136.08401	9.1
145.10130	13.1
147.08116	4.5
147.11665	11.6
148.12018	7.8
149.09593	5.7
149.13257	22.8
151.11179	14.7
157.10085	8.5
159.11682	25.2
161.09618	5.8
161.13246	14.7
163.03970	4.8
163.11208	11.5
173.11748	7.7
175.14917	6.6
177.12766	20.7
185.13145	4.9
195.13884	14.2
199.14944	5.3
203.17793	6.3
204.18375	5.1
227.12770	9.5
229.14542	4.5
259.20547	7.5
263.83670	4.8
269.17438	100.0
277.21671	10.8
298.18829	6.0
311.56821	5.1
316.19891	13.1
351.25198	30.7
377.01657	13.0
378.01971	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.9
54.83661	5.8
55.01844	7.4
55.05516	41.5
56.96562	6.4
57.03438	34.0
57.07075	10.0
67.05500	88.0
69.07069	40.2
70.79359	14.8
70.79736	10.3
71.04950	8.7
71.08627	55.1
79.05483	52.4
81.03398	7.1
81.07057	87.9
83.04965	10.0
83.08622	32.1
85.06521	6.6
90.42229	6.8
90.57130	6.2
91.05476	36.3
93.07044	62.7
95.04956	16.3
95.08602	47.3
97.06535	10.0
97.10150	29.5
99.08100	54.2
105.07005	24.8
107.08592	41.9
107.27026	6.7
109.10125	26.2
111.08078	8.0
117.06995	17.0
119.08566	34.0
121.10106	27.1
125.09608	25.8
129.07030	8.8
131.08562	13.8
133.10130	22.3
135.08054	20.3
135.11661	18.0
137.13318	6.9
137.31204	7.9
145.10120	7.6
147.11685	10.2
149.13235	23.2
151.11162	33.6
159.11656	28.5
161.09659	8.2
161.13251	21.0
163.11148	15.3
173.11734	24.7
177.12791	18.9
179.14304	12.5
183.26918	6.4
189.11217	22.8
222.27872	6.5
227.12778	26.5
229.14243	11.3
245.13875	12.3
253.18065	11.8
259.20569	11.9
269.17441	99.3
277.21509	37.0
286.20084	28.0
351.25302	100.0
386.29071	10.3
404.29663	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	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50843	3.7
55.05501	17.7
57.03434	16.0
57.07067	4.7
59.05009	3.9
59.76822	3.4
63.65498	3.7
67.05170	5.8
67.05501	85.4
69.03440	4.5
69.07062	13.3
69.94053	17.8
69.94428	7.6
71.04962	4.5
71.08610	11.9
72.85412	3.1
79.05499	21.1
81.07055	38.2
83.04980	10.2
83.08603	15.4
91.05463	19.8
93.07041	32.6
94.07397	4.5
95.04972	7.4
95.08590	20.9
97.06509	4.3
97.10136	6.0
99.08043	8.1
105.07059	17.4
107.08587	26.5
109.06498	3.6
109.10148	59.9
111.08104	6.9
117.07003	7.7
119.08589	25.3
121.10134	11.2
125.09631	7.6
128.34009	3.5
131.08591	5.5
133.10136	9.8
135.08060	15.7
135.11661	8.0
137.09579	4.0
145.10078	4.6
147.08049	5.8
147.11691	4.8
149.13278	8.4
150.13820	3.7
151.11212	6.3
155.10629	3.8
159.11601	7.8
161.13243	7.2
163.11176	4.2
171.11685	3.5
173.11761	31.2
179.14409	4.4
189.11140	7.9
197.85863	3.2
227.12822	7.3
229.14360	100.0
241.19447	4.5
251.81395	4.7
259.20599	5.8
269.17432	28.5
277.21637	17.6
277.92889	3.7
298.32233	3.8
351.25308	23.1
356.39114	3.7
369.26251	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.2
57.07077	2.1
67.05522	2.6
69.03422	3.9
71.05253	3.3
77.45301	1.6
77.66072	1.4
79.05534	1.9
81.07056	19.4
83.04990	2.0
85.02908	89.1
86.09736	1.6
87.04474	2.0
91.05493	5.6
93.07043	3.2
95.08595	5.6
97.02921	3.6
105.07063	8.2
107.08596	4.3
109.10139	12.0
115.03968	2.0
119.08576	11.4
121.10163	8.7
123.08082	2.3
123.11710	100.0
125.06019	6.3
127.03925	2.4
131.08510	2.4
145.04947	2.3
145.10182	5.3
147.11703	12.7
149.09633	7.3
165.12729	2.5
171.11734	1.9
175.03972	2.3
179.14272	1.9
189.12740	22.4
191.73686	1.5
207.06500	5.8
207.13820	75.0
225.07645	2.4
225.14868	23.4
257.09616	1.9
408.85513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03948	1.5
55.01887	1.1
55.05516	4.3
56.05043	1.3
57.03428	2.5
59.05001	2.4
67.05500	3.4
68.97906	1.0
69.03423	5.2
69.07073	2.6
69.65916	8.5
71.04993	2.4
79.05512	2.8
81.03397	1.3
81.07078	5.4
83.04987	3.1
83.08622	2.7
84.08109	1.2
85.02913	18.3
85.06537	1.4
86.09709	3.6
87.04478	2.4
91.05486	8.9
93.07045	3.5
94.06618	1.1
95.04980	4.0
95.08617	9.9
97.02890	3.8
97.06533	2.5
97.10154	1.5
98.97626	1.4
99.04456	2.7
105.01894	1.5
105.03385	4.7
105.07034	13.9
107.08604	13.4
109.02845	1.2
109.06544	3.9
109.10173	1.3
110.09671	1.8
111.04440	2.1
111.08060	1.7
116.75036	1.1
116.98651	1.5
117.07056	2.0
119.08591	19.2
121.06499	1.8
121.10155	11.6
122.03651	1.3
123.08064	5.7
123.11709	8.4
124.05231	1.4
125.09651	3.9
127.03963	2.4
128.06276	1.3
129.07033	2.2
131.08546	9.4
133.04893	1.4
133.10115	6.1
135.08067	21.1
135.11696	3.9
137.06017	2.2
137.09570	2.4
138.09142	10.7
139.11198	1.2
143.08566	7.9
145.10117	6.7
147.08051	13.7
147.11681	13.8
149.09642	9.2
151.07605	1.4
156.09352	14.0
159.11697	2.8
161.05959	2.6
161.09619	2.7
161.12146	1.0
161.13268	6.8
163.07643	1.7
163.11174	2.6
165.09149	2.4
165.12758	1.9
167.07094	2.0
167.10669	1.5
169.04913	1.5
171.11699	28.9
173.13277	1.8
175.03975	1.5
179.07080	2.0
179.14255	1.1
181.04944	1.3
189.09213	1.2
189.12720	22.9
191.14247	1.4
207.06604	2.5
207.13806	100.0
208.14165	2.6
225.07622	1.3
225.14926	2.1
227.05772	1.2
237.02823	1.4
242.08128	22.8
242.17622	1.3
243.08533	1.5
307.10904	1.2
405.13422	4.6
405.18182	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	404.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.05490	3.7
56.96555	2.0
57.03414	2.2
61.02908	1.5
67.05492	1.9
69.03426	10.2
69.75593	1.5
71.58273	2.3
79.05476	3.3
81.03416	3.8
81.07053	4.3
83.04951	4.6
83.08637	1.5
84.03195	1.6
84.04485	1.8
85.02890	5.7
87.04453	1.5
87.60701	1.5
91.05467	5.7
93.07035	16.0
95.04977	3.2
95.08601	3.4
103.05460	1.5
105.07031	100.0
106.07355	1.6
107.08608	3.4
111.04430	3.7
119.04935	2.6
121.06507	36.9
126.03043	1.7
127.03877	1.4
129.05421	6.9
133.10139	1.9
143.08476	1.5
147.06499	5.2
147.11668	1.5
167.07014	2.3
267.12280	4.4
387.17825	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	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
56.05019	1.1
57.03437	5.9
57.20980	1.1
59.04994	1.2
65.68475	1.0
69.03425	3.6
70.06580	3.5
71.10152	2.4
72.08162	1.4
73.02902	1.4
75.04469	2.7
75.56153	1.0
76.76277	1.0
79.05500	2.4
81.03420	2.4
84.04500	15.2
85.02900	14.2
86.09715	18.1
87.04478	1.7
91.05481	100.0
92.05795	1.3
95.01316	2.0
95.04948	3.1
97.02901	5.8
99.00822	2.5
102.05582	5.7
105.01943	2.2
105.03390	69.0
109.02884	2.3
113.02382	2.9
123.04456	2.7
127.03921	3.0
128.04356	1.2
129.06676	1.1
129.81964	1.0
131.03424	1.4
137.05980	8.2
141.01801	6.6
141.90997	1.0
145.04881	1.4
146.11783	13.8
147.04407	1.2
151.26611	1.1
159.02902	1.3
167.08167	2.3
168.06526	1.2
175.03922	3.2
177.05444	1.6
179.07043	24.9
193.08612	48.7
195.07690	1.5
197.08105	19.0
207.06520	1.2
211.09631	25.4
211.11502	2.2
213.08737	1.7
231.09796	1.9
241.08275	2.7
259.09106	3.2
301.06522	1.5
369.11932	4.2
404.15775	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78753	0.7
56.96566	12.1
67.05484	0.8
69.07090	0.7
69.52723	1.4
69.53127	4.6
69.76561	0.6
71.95264	1.0
79.05458	0.8
79.41031	0.6
81.07076	1.0
83.04987	0.9
94.04186	1.5
97.06585	0.8
98.97582	37.6
107.08593	0.8
114.99416	0.8
116.98624	46.5
119.08565	0.9
122.03657	4.1
133.00465	0.6
134.99666	45.7
137.05983	40.9
140.00215	4.7
141.06693	0.7
145.10167	0.7
153.00716	9.4
158.01254	8.8
176.02370	1.6
179.00201	0.8
197.01192	2.6
211.02878	1.0
220.00479	2.1
224.09424	1.1
226.11169	13.0
235.02780	43.0
236.03090	0.9
238.01463	2.8
242.10574	0.9
244.12239	9.8
249.12682	0.7
253.03851	92.8
254.04175	2.5
267.13800	2.4
268.12180	3.5
271.04926	6.4
276.05453	21.9
277.05609	1.0
280.12225	1.7
286.13297	1.0
288.16879	0.8
329.07959	1.1
329.13086	1.1
344.10974	1.1
344.15329	6.6
362.16354	2.6
372.09686	4.7
404.17444	100.0
405.17929	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	403.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	34.8
55.05511	22.1
60.24189	19.2
67.05511	48.2
69.07089	22.4
71.59099	36.4
81.07065	69.4
82.07795	17.2
83.04990	32.2
93.07052	37.2
95.08610	100.0
97.10165	27.7
97.35703	17.9
105.07018	32.4
105.23239	17.8
106.65327	20.9
107.08607	58.4
109.10168	85.3
111.08086	92.3
119.08611	25.1
121.10139	54.8
123.11728	30.1
129.94221	20.5
133.10173	27.3
135.11664	47.7
137.13257	36.7
147.11749	21.3
149.13274	62.3
159.11671	28.1
163.14906	25.9
203.17941	22.1
370.15573	24.7
385.34601	61.3
403.35648	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	404.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
54.58411	0.8
55.01864	1.4
56.05032	1.3
57.03426	2.3
58.99591	15.2
67.05518	1.8
69.03430	3.2
69.07073	5.4
70.77625	2.5
72.08152	1.3
73.06555	0.9
74.06081	1.7
76.02231	98.9
76.03986	2.6
76.04395	0.8
79.05496	10.6
80.05031	1.3
84.04510	33.0
85.02900	3.8
86.06048	1.2
86.09700	2.9
86.99043	3.5
88.02210	1.7
95.04942	1.2
97.02889	1.3
97.06535	100.0
98.06805	0.9
98.97556	0.9
105.01878	1.2
111.04372	1.0
114.03794	1.1
115.03925	1.7
116.01682	23.0
127.03887	2.0
129.03674	2.4
130.05006	18.1
141.04800	1.1
142.03229	10.0
143.11819	0.9
144.01149	12.8
145.02870	0.9
145.04932	0.9
146.02681	1.3
147.04362	0.8
162.02203	43.1
163.02512	0.8
170.02742	3.8
177.05486	3.5
179.04861	87.6
187.05383	2.6
188.03670	1.0
207.10196	1.9
215.04839	2.9
219.14252	0.9
221.04723	1.0
226.10756	1.3
227.04768	1.0
233.05907	22.3
237.02863	1.1
245.05884	4.4
275.10489	1.5
290.08066	2.4
291.06485	3.6
308.09109	43.3
309.09235	0.9
404.15558	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	403.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01879	1.1
55.05515	8.2
57.07078	17.9
62.98905	0.7
65.03927	0.8
67.05219	0.8
67.05507	8.0
69.03444	6.2
69.07073	4.4
70.12758	1.9
70.13154	1.6
71.08628	1.9
73.54767	0.9
79.05483	5.4
79.29829	0.7
81.07066	9.8
83.04996	3.6
83.08601	3.3
85.02892	4.5
85.06563	4.3
87.13236	0.7
91.05482	8.4
93.07040	14.8
95.04952	1.7
95.08605	12.9
97.02878	2.3
97.06509	0.9
97.10172	1.5
98.21395	1.0
99.08096	5.2
105.07035	13.6
107.08602	22.8
109.06515	3.3
109.10159	11.7
111.04428	2.3
111.08100	1.3
117.06993	1.8
119.08578	16.9
121.06508	1.8
121.10144	11.5
123.08104	4.4
123.11717	3.2
125.06007	1.5
125.09631	1.5
126.39606	0.7
129.01843	1.0
129.07010	1.4
131.08553	4.6
133.10135	14.0
135.08070	2.9
135.11703	7.0
137.05956	1.1
137.09612	2.5
137.13255	1.7
138.06758	1.3
139.07549	5.9
142.07771	1.3
143.08553	2.9
144.09311	1.6
145.10121	7.6
147.08110	1.0
147.11693	11.0
149.09630	4.2
149.13229	2.1
151.07545	100.0
152.07918	1.1
156.09311	1.1
156.38568	0.7
157.10143	3.4
159.08014	1.1
159.11711	8.4
161.09607	4.5
161.13298	5.7
163.11182	3.2
163.14818	4.1
165.09091	1.6
165.12682	1.0
169.10167	1.2
171.11729	5.2
172.08844	2.0
173.09673	1.7
173.13275	5.7
175.11198	2.7
175.14864	2.3
177.12796	4.6
177.16429	1.1
183.11710	0.9
185.09605	1.0
185.13280	2.3
186.10417	1.0
187.11214	3.6
187.14821	3.0
189.12711	2.4
189.16466	0.8
191.10715	4.4
193.12285	1.5
195.11795	0.9
199.11153	2.8
199.14844	2.0
201.12703	2.9
201.16455	1.9
203.10759	1.8
203.14285	1.4
203.17909	4.1
205.12244	3.4
212.11989	0.9
213.12776	1.3
213.16409	1.3
215.14336	0.7
215.18040	1.0
217.12260	2.1
217.19443	0.8
219.13762	2.4
221.15295	0.8
227.14314	1.7
229.15730	0.9
229.19475	1.1
231.13850	2.6
239.18028	1.4
241.16081	1.0
241.19574	0.8
245.15382	4.1
255.21155	1.2
271.20804	0.7
275.20306	0.8
283.20572	3.5
299.20026	3.0
299.56726	0.8
301.21616	14.4
317.21130	4.5
319.22678	61.7
320.23151	1.4
375.29166	1.6
403.28470	64.9
404.28787	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	403.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72629	3.1
53.86444	3.1
54.23399	3.5
55.05515	69.4
57.07066	9.3
58.41088	3.2
67.05512	21.4
69.03415	4.1
69.07069	15.2
69.57486	4.3
71.61732	5.4
76.89423	3.0
79.05489	11.6
81.07058	27.0
83.04482	5.4
83.04983	100.0
83.08618	6.5
91.05470	10.8
91.80707	3.3
91.81264	4.0
93.07040	29.9
95.04987	5.7
95.08608	56.7
97.06528	8.6
97.10165	6.1
105.07057	32.5
107.08601	41.6
108.22783	4.2
109.06567	6.1
109.10156	44.8
111.04413	9.4
117.06997	3.8
119.01904	7.8
119.08583	48.2
121.10169	34.9
123.08115	5.2
123.11711	15.2
125.06030	4.2
131.08568	7.7
133.10091	32.3
135.07990	4.0
135.11685	19.3
137.09622	4.8
142.07796	4.2
143.08562	6.1
145.10126	15.1
147.11674	23.9
149.13245	15.1
151.11116	3.9
157.10139	8.6
159.11751	18.2
161.13222	15.7
163.14828	13.4
171.11714	6.4
173.13269	11.7
175.11211	5.8
175.14836	7.0
179.10663	3.7
185.08018	4.0
185.13295	7.1
187.14848	11.8
189.12798	4.4
189.16385	11.5
191.17963	10.7
193.12273	5.7
201.16393	9.1
203.17958	30.6
205.12289	3.8
205.15849	4.2
207.13853	4.7
215.17914	5.4
233.15407	9.3
243.21118	4.2
257.22699	18.3
267.21027	5.1
285.21973	7.3
299.20135	16.6
301.21585	12.5
303.23196	38.0
317.21143	16.1
403.23752	7.9
403.29419	6.1
421.24402	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	403.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92267	6.2
55.05510	62.9
57.07075	13.6
58.94793	6.7
67.05504	41.2
69.03436	9.2
69.07050	28.5
71.04991	9.2
71.25058	17.5
79.05484	27.9
81.07044	79.2
83.04977	90.8
83.08603	16.0
85.06573	11.1
91.05460	23.4
93.07037	44.7
95.04940	8.2
95.08046	10.5
95.08607	98.5
97.06525	88.3
97.10172	9.9
105.07031	57.1
107.08589	94.3
109.06471	12.3
109.10158	75.6
111.08064	17.9
117.07003	14.6
119.08581	89.9
121.06498	8.5
121.10128	68.6
123.08073	10.3
123.11707	29.3
124.37279	6.9
125.09618	7.6
129.05469	8.6
131.08600	14.2
133.10118	61.8
135.08037	100.0
135.11694	29.4
137.09576	23.6
137.13237	9.4
143.08533	10.6
145.10103	42.6
147.08104	9.8
147.11713	43.2
149.09689	7.8
149.13254	17.4
151.11194	18.5
157.10132	22.8
159.11708	53.5
161.09602	9.5
161.13264	29.6
163.11220	15.7
163.14854	10.5
169.10121	14.2
171.11656	28.1
173.13220	30.2
175.11162	35.4
175.14781	13.0
177.12721	28.4
177.16391	9.8
183.11676	14.5
185.13274	18.2
187.11198	7.4
187.14784	40.3
189.12659	8.4
189.16296	31.8
191.14256	8.4
197.13226	16.6
199.14729	11.9
200.26044	8.0
201.16356	16.8
203.14200	10.4
204.51125	6.4
205.15875	14.4
207.17514	16.6
211.14809	13.6
213.16380	10.3
215.17886	8.0
225.16377	9.7
227.17982	12.9
229.15834	8.9
231.17441	8.2
241.19475	10.8
257.19559	5.8
257.22690	30.6
267.21048	31.0
285.22217	59.4
303.23071	30.4
317.21207	8.4
403.28265	21.3
403.39600	13.5
411.81326	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	403.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.05505	59.8
57.03445	5.8
57.07072	20.8
65.03922	7.6
67.05502	38.9
69.03408	5.9
69.07067	32.4
70.06593	7.4
70.08323	15.2
70.08733	8.1
70.96225	4.2
71.04990	9.7
71.12992	3.6
79.05495	32.8
81.07059	70.3
82.43520	3.5
83.04983	72.6
83.08609	14.1
85.06547	9.7
87.53572	3.8
88.07616	10.5
91.05472	34.7
93.07041	51.1
95.04951	11.3
95.06067	13.3
95.08603	100.0
97.06529	78.2
97.10170	10.0
99.08057	5.8
101.06014	3.9
105.07021	62.2
107.08594	92.6
109.06498	11.7
109.10142	65.6
111.04434	4.5
111.08059	16.8
115.05405	4.9
115.55495	3.4
117.06989	11.0
119.08583	97.4
119.47139	3.7
121.06494	7.4
121.10133	59.5
123.08066	11.7
123.11713	34.7
124.99081	3.7
125.05963	4.7
125.09643	6.5
129.01749	4.8
129.07083	4.3
131.08577	21.6
133.10126	75.3
135.08057	90.2
135.11699	43.5
137.09644	18.9
137.13234	9.2
142.07732	6.3
143.08556	12.6
145.10133	44.9
147.11684	44.4
149.09602	8.0
149.13245	26.6
151.07498	4.2
151.11186	13.2
155.08495	6.4
156.09369	7.4
157.10146	23.0
158.10918	4.8
159.11688	55.3
161.09630	10.9
161.13272	38.5
163.11147	15.8
163.14838	20.9
165.12697	5.0
168.45834	4.2
169.10117	5.2
170.10968	5.2
171.11722	18.6
173.13249	39.7
175.11212	39.7
175.14812	16.7
177.12709	20.4
177.16396	9.7
183.11638	10.3
185.13315	19.5
187.14813	41.9
189.12781	9.3
189.16408	29.4
191.14207	7.7
191.17903	14.8
197.13278	12.5
199.14792	7.6
201.12727	4.4
201.16409	18.9
203.14305	10.2
203.17966	18.2
205.12129	3.9
205.15868	15.0
207.17473	15.2
211.14801	15.8
213.16327	8.4
215.18060	9.1
223.16933	5.3
225.16368	9.2
229.15843	4.8
231.17448	5.1
241.19554	11.0
243.21016	7.8
247.16882	5.7
257.22675	30.9
267.21088	18.8
285.22104	51.0
299.19986	8.9
303.23166	46.5
304.23483	4.5
317.21112	10.8
341.36151	28.6
380.70764	30.0
381.20966	9.2
403.28519	9.2
403.39749	52.7
427.58456	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	403.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65223	3.9
53.03950	3.9
55.05509	36.8
57.07075	73.4
57.71956	4.3
58.92073	3.9
67.05507	39.7
69.03436	4.8
69.07079	21.5
69.07377	3.6
69.84483	29.5
79.05486	33.0
81.07056	54.0
83.04979	17.2
83.08621	13.6
84.05299	4.7
85.06532	22.5
91.05482	39.6
93.04930	3.8
93.07040	59.0
95.04968	10.3
95.08601	88.9
98.21439	5.6
99.08099	50.3
105.07026	88.2
107.04961	4.7
107.08591	80.2
107.31356	5.1
109.06506	9.5
109.10157	80.9
111.04433	19.3
111.08171	7.3
117.07012	14.6
119.04948	4.1
119.07788	7.8
119.08581	100.0
121.10137	60.1
123.11705	32.4
125.05979	5.1
128.06192	4.5
129.01845	5.8
129.07056	8.8
131.08574	23.0
133.10135	46.6
135.08040	7.0
135.11682	28.2
137.05989	8.5
139.07538	13.1
143.08556	9.6
145.10126	31.6
147.08115	4.4
147.11687	66.5
149.13242	14.9
151.07571	5.7
157.10129	19.2
157.12228	11.1
159.11644	26.2
161.09552	5.8
161.13234	14.8
163.14806	7.2
165.12802	8.6
169.10156	10.6
171.11729	14.4
173.09615	9.0
173.13274	20.6
175.11201	27.7
177.16354	4.8
185.13223	12.5
187.11177	13.7
187.14732	5.8
191.10606	6.3
191.18050	5.2
193.12262	25.2
193.83879	4.5
199.11183	9.6
199.14867	8.4
201.12831	19.8
201.16357	7.9
203.10645	6.1
203.17998	6.6
205.12244	18.6
211.13287	32.1
217.12227	15.0
219.13818	45.8
231.13857	10.6
237.17249	4.8
239.18076	5.3
245.15384	14.2
255.21150	5.4
279.44598	4.2
283.20593	7.3
299.20184	8.4
301.21655	24.0
317.21237	11.4
319.22623	13.1
396.60397	4.9
403.28409	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	403.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00617	2.2
53.03938	2.3
55.05511	65.7
57.07058	2.5
62.54103	2.5
67.05502	14.2
69.03419	2.4
69.07063	11.6
70.52289	3.8
70.52687	4.9
76.15669	2.3
79.05489	7.5
81.07059	17.0
83.04986	100.0
83.08601	5.6
91.05470	6.6
93.07050	27.0
93.98222	2.2
95.04953	5.4
95.08607	52.6
97.06564	2.4
97.10151	6.7
105.07026	19.0
107.08605	37.0
109.10159	28.9
117.07024	2.4
119.08569	30.3
121.10149	24.4
123.11703	10.3
125.05926	2.6
131.08615	4.1
133.10109	24.1
135.11700	22.0
137.09627	3.0
145.10091	9.2
147.11688	16.7
149.13220	13.6
157.10036	2.4
159.11682	9.3
161.13234	14.8
163.14819	9.9
173.13229	9.0
175.14830	8.1
181.12224	3.0
187.14851	8.9
189.16293	3.8
191.17938	11.7
201.16417	6.0
203.17950	28.7
207.13843	7.2
221.15338	3.9
233.15341	8.8
243.21092	4.3
247.16864	4.9
257.22601	18.8
261.18460	4.4
267.21127	4.1
275.23813	2.7
285.22195	11.7
303.23199	45.6
385.27231	3.3
387.34589	2.4
402.61850	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	403.2844
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
55.05267	3.7
55.05514	53.4
57.07051	2.3
57.09072	2.2
63.92297	2.1
67.05513	16.0
69.07060	12.3
69.63584	9.2
69.63996	6.5
74.87729	2.1
79.05489	7.4
81.07058	21.2
83.04991	100.0
83.08616	9.3
88.04149	2.1
91.05457	4.8
91.17427	2.1
93.07059	27.9
95.04984	3.6
95.08045	4.4
95.08611	46.9
97.06514	2.5
97.10188	4.2
105.07021	17.0
107.08600	36.7
109.10160	41.6
119.08587	25.5
121.10154	43.6
123.11706	12.8
128.64206	2.1
131.08684	2.1
133.10138	18.0
135.11682	25.7
137.09581	3.6
137.13254	2.7
145.10136	8.2
147.11697	19.2
149.13251	21.6
153.96440	2.2
159.11696	9.4
161.13275	16.6
163.14824	15.9
173.13268	9.4
175.14847	8.4
187.14819	7.2
189.16315	4.6
191.17976	16.2
193.12271	2.8
201.16406	5.6
203.17989	20.2
207.13849	6.2
216.14784	2.7
221.15366	7.1
229.15912	2.6
233.15434	3.6
243.21013	4.6
247.16943	7.1
257.22699	23.6
261.18338	2.7
267.21078	3.0
285.22061	14.1
303.23203	49.5
321.24161	3.2
403.28214	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	403.2843
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
53.03931	3.5
55.05514	69.5
55.79251	2.2
67.05496	10.4
69.07072	11.5
70.17491	9.9
79.05478	6.7
81.07051	18.4
83.04984	100.0
83.08614	4.1
91.05497	6.1
92.41689	2.3
93.07045	17.0
95.04987	3.7
95.08610	36.8
97.10213	3.0
105.07035	15.7
107.08609	25.4
109.10169	28.5
117.07030	2.5
119.08595	27.4
121.10154	26.8
123.11706	8.5
131.08554	3.4
133.10127	17.0
135.11708	18.9
137.09709	2.1
137.13297	3.0
143.75752	2.5
145.10121	6.4
147.11664	18.3
149.13264	13.9
155.10701	2.5
159.11702	7.6
161.13272	14.5
163.14842	9.2
173.13225	5.6
175.14813	7.7
187.14806	7.2
189.12747	4.4
189.16368	2.8
191.17943	9.5
201.16470	3.6
203.17993	23.8
205.15941	2.5
207.13770	5.1
207.58252	2.1
221.15282	2.6
233.15381	4.2
247.17064	4.5
257.22458	12.4
261.18790	2.7
285.22125	7.5
303.23135	34.0
317.45020	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
55.05514	62.2
55.05781	3.2
55.11096	2.4
55.84731	1.9
57.07069	2.6
67.05507	15.3
67.97216	1.9
69.03406	2.4
69.07063	10.1
69.89085	13.6
79.05489	7.7
81.07064	17.8
83.04984	100.0
83.08643	3.3
91.05470	6.4
93.07047	23.3
94.88560	1.9
95.04981	5.3
95.08605	31.1
97.10176	3.1
105.07037	13.5
107.08602	31.3
108.61524	1.9
109.09441	3.7
109.10158	37.9
119.08592	22.6
121.10146	26.1
123.11698	8.9
125.06019	2.5
131.08585	5.6
131.19981	3.1
133.10135	18.7
135.11691	21.3
145.10094	4.7
147.11665	15.5
149.13268	18.5
159.11722	8.2
161.13269	12.8
163.14839	15.5
173.13286	8.5
175.14827	4.6
187.14801	6.0
189.16418	2.8
191.17937	16.5
201.16335	4.8
203.17918	15.4
207.13792	4.4
215.17928	2.5
219.13870	2.9
221.15300	3.1
233.15373	4.2
243.21037	2.6
247.17003	6.4
248.29431	2.3
257.22748	14.8
261.18457	3.6
285.22119	8.3
303.23166	42.8
385.27286	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	403.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39812	8.6
55.05506	22.0
57.07090	9.7
67.05501	46.5
68.49171	8.5
69.07062	25.1
69.91921	15.7
69.92332	47.5
73.07645	8.3
74.77167	7.7
79.05500	34.4
81.07044	57.8
83.04963	22.6
83.08622	13.4
91.05488	36.8
93.07034	52.8
95.04984	10.1
95.08615	81.4
97.02873	11.0
97.06532	14.3
105.07036	71.0
107.08602	85.2
109.06516	13.2
109.10169	65.2
111.04455	22.9
119.08588	100.0
121.06491	11.3
121.10148	43.0
123.08088	11.9
123.11722	13.9
125.05953	12.0
128.83751	9.8
129.01826	18.6
131.08554	21.7
133.10152	59.5
135.08066	13.9
135.11705	22.4
137.09578	11.4
143.08611	12.4
145.10133	43.3
147.07990	11.9
147.11700	34.8
151.11160	11.1
157.01366	10.9
157.10136	28.0
159.11710	31.8
161.13257	25.6
163.14792	32.7
167.07082	11.1
171.11691	26.3
173.13283	18.2
175.14832	16.9
183.11720	11.0
185.09714	9.9
185.13219	14.7
187.11267	11.7
187.14886	15.2
189.16420	15.3
197.13277	11.8
199.14833	17.4
201.12723	13.6
201.16396	15.3
225.12727	12.4
239.17979	12.0
245.41026	11.3
248.62030	9.4
257.18896	15.8
275.20105	21.4
289.21567	11.7
299.20013	64.2
317.21075	64.6
403.29675	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	403.2477
Annotation	Dehydrocholic acid
Peak:m/z	Relative Intensity
55.05503	7.6
65.03929	4.0
67.05504	34.1
69.03431	49.3
69.07068	7.8
70.62082	9.6
79.05473	5.2
81.07042	16.3
83.04947	5.2
83.08622	2.9
91.05469	9.4
93.07046	13.0
95.04962	28.2
95.08602	15.5
97.06520	8.8
105.07023	17.1
107.08600	28.0
109.06484	6.2
109.10156	100.0
111.08149	3.4
117.07001	3.8
119.08607	23.1
121.10141	18.2
123.08092	7.2
123.11722	3.7
129.72839	2.9
131.08612	5.0
133.10106	18.0
135.08052	58.1
135.11719	8.0
137.09579	5.2
137.38283	3.7
143.08508	5.6
145.10130	13.7
147.11665	12.1
149.09615	8.7
155.08528	5.6
156.09354	3.9
157.10146	5.9
159.11732	16.0
161.09630	11.1
161.13278	13.4
163.11110	4.3
169.10172	4.2
170.10866	4.0
171.11681	9.7
173.09598	9.3
173.13271	16.8
175.07552	4.2
175.11177	10.8
175.14801	6.7
177.12759	4.3
183.11720	11.0
185.13303	11.1
187.11183	9.5
187.14818	11.0
189.12764	7.0
191.10701	6.6
195.11699	3.2
197.13269	8.8
199.14835	3.4
201.12866	6.8
203.10765	3.4
203.14359	8.5
209.13214	4.3
213.16113	3.9
215.10786	4.9
215.14351	5.7
229.12187	16.2
229.19476	5.9
237.16405	5.4
239.17953	16.2
250.53513	3.2
253.19536	7.3
257.19006	39.4
271.20465	22.0
281.18948	6.5
292.39749	3.3
299.20056	66.1
343.22623	19.2
357.24234	7.2
385.23657	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.05523	10.8
56.96556	4.5
67.05222	2.0
67.05511	19.5
69.03410	8.9
69.07058	15.6
69.53805	18.0
71.04973	3.3
78.53381	1.9
79.05489	21.9
81.07061	24.4
83.04975	14.1
83.08600	3.1
91.05480	27.3
93.07045	24.9
95.04961	9.8
95.08607	24.0
96.91194	2.2
97.02882	6.3
97.06547	16.2
105.07031	33.8
107.04951	7.2
107.08600	38.9
109.06522	14.3
109.10159	17.3
111.04454	11.0
111.08083	6.3
115.05442	4.5
117.06992	6.0
119.08581	30.3
121.06505	13.2
121.10145	21.4
123.08078	17.4
123.11740	4.3
125.05960	4.7
125.09677	2.3
127.52859	2.2
128.06198	2.1
131.08571	10.5
133.06467	4.1
133.10139	24.3
135.08057	96.2
135.11697	8.2
137.06012	2.6
137.09641	19.0
139.07507	3.1
142.07831	3.1
142.69044	2.2
143.08525	7.3
144.09419	3.0
145.10104	14.2
147.08018	7.1
147.11685	20.8
149.09650	11.2
149.10625	2.2
151.07547	3.6
151.11130	4.4
155.08534	4.3
156.09380	4.0
157.10104	17.1
158.10786	2.0
159.08023	3.4
159.11685	11.8
160.08968	2.5
161.01300	2.6
161.09615	11.9
161.13245	7.9
163.11174	7.4
167.07014	6.5
169.10110	5.3
171.11696	16.2
173.09660	5.5
173.11900	2.1
173.13292	9.5
175.11244	12.3
175.14821	9.5
177.12752	7.2
183.11757	4.8
185.09590	5.3
185.13232	12.4
187.11192	9.5
187.14839	4.9
189.12741	6.7
193.12292	2.7
195.11725	7.8
197.13243	3.4
199.11163	6.3
199.14789	7.1
201.12752	4.8
203.10635	2.8
203.14337	15.2
203.17982	6.3
205.12263	3.3
209.13162	3.4
211.14839	3.0
213.12723	8.1
213.16412	4.9
217.12210	2.5
217.15903	4.6
223.14774	3.8
227.10724	2.4
227.17949	2.2
229.12164	2.6
230.71346	2.0
231.13733	3.9
235.14825	2.5
237.12805	3.8
237.16309	4.8
241.19669	2.3
241.37424	2.2
251.18150	3.5
255.17421	11.0
268.50729	2.2
269.19089	6.2
273.18491	4.1
279.17371	6.5
287.19992	3.9
297.18536	30.4
311.06793	2.5
315.19543	100.0
316.19824	7.2
351.25165	2.5
373.62631	2.8
377.01730	8.6
378.31192	2.3
395.03012	4.5
403.24783	3.1
412.70776	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.2
57.03436	2.4
57.07071	4.7
58.99059	1.9
67.05499	47.9
69.03420	11.7
69.07073	19.3
69.81279	13.3
71.04980	7.7
79.05487	20.9
81.06583	2.7
81.07053	44.0
83.04966	7.0
83.08616	9.7
85.06522	6.4
87.04462	2.2
87.64922	2.4
91.05477	28.3
93.07043	44.2
95.04960	7.6
95.08602	76.3
97.02864	5.4
97.06549	10.8
97.10187	3.0
98.20775	3.0
103.05467	2.7
105.07023	65.8
107.04958	4.3
107.08595	60.8
109.06509	11.1
109.10154	63.5
111.04431	34.0
111.08094	10.4
117.07008	12.4
119.08575	100.0
121.06475	6.8
121.10138	39.4
123.08083	10.3
123.11712	18.8
125.05972	7.4
125.09625	3.4
129.06982	6.0
131.08545	22.9
133.06477	3.2
133.10121	57.6
134.10509	2.3
135.08073	10.4
135.11693	17.0
137.05927	3.7
137.09601	18.2
137.13220	2.9
139.07532	2.9
139.11198	2.3
141.04759	2.4
141.06908	2.0
142.07767	6.4
143.08562	16.2
144.09221	2.8
145.10127	35.5
147.08069	5.1
147.11684	37.9
149.09616	3.6
149.13245	7.2
151.11180	12.0
153.09055	5.2
155.08514	8.8
156.09348	5.8
157.10117	21.8
158.10843	2.9
159.07997	3.2
159.11679	37.0
160.12344	1.9
161.09598	7.1
161.13254	18.2
163.07542	3.2
163.11128	5.2
163.14828	24.0
165.09142	3.0
167.08553	3.1
168.09294	2.9
169.10110	9.6
170.10947	2.0
171.11679	21.3
172.12088	2.2
173.09607	8.1
173.13266	22.8
175.11194	4.9
175.14784	7.6
177.09123	2.9
177.12753	2.9
179.10751	3.7
181.10178	3.8
181.12183	4.5
182.10959	2.2
183.11693	16.1
184.12405	2.1
185.09647	2.7
185.13240	12.9
186.10133	2.1
187.11227	12.5
187.14771	14.9
189.12766	4.4
189.16414	9.4
191.10622	5.6
191.14354	3.7
193.12236	5.7
195.11644	5.6
197.13248	15.1
199.11156	5.1
199.14803	10.6
201.12750	6.5
201.16331	10.2
203.10637	6.2
205.12216	4.9
205.15863	5.1
207.13631	2.5
207.17453	3.2
211.11150	4.9
211.14828	6.6
213.16423	7.6
215.10600	2.3
215.14304	6.2
215.17967	6.2
217.12248	6.0
219.13695	6.2
225.12589	4.9
225.16226	2.8
227.14302	2.9
227.17900	3.8
229.12270	10.0
229.19522	4.3
233.15343	4.6
237.16408	4.5
239.14220	3.2
239.17885	13.9
243.13765	7.0
243.21024	3.2
245.15361	4.0
253.15909	2.4
253.19467	13.0
255.17377	3.5
257.15253	3.0
257.18951	14.0
259.17163	2.2
263.17923	4.0
271.20523	11.7
273.18533	5.7
275.20001	21.6
281.19031	13.6
289.21606	5.7
299.20044	72.9
300.20230	4.2
317.21091	96.4
318.21329	3.2
403.24637	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	403.2479
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
55.05495	18.0
67.05498	48.5
69.03429	8.7
69.07052	14.1
71.21168	10.9
79.05509	15.1
81.07079	40.3
83.08635	8.8
88.79291	5.5
88.90192	6.0
91.05488	23.4
93.07056	47.0
95.08597	56.8
97.06558	11.1
97.63002	5.9
105.07043	58.4
107.08599	57.6
109.06483	10.5
109.10163	56.4
111.04472	34.4
111.08111	10.1
113.65400	5.4
117.07024	11.5
119.07789	8.5
119.08588	100.0
121.10166	37.1
123.08044	8.0
123.11707	18.1
123.69966	5.8
124.76031	5.7
125.06002	11.0
127.32029	5.5
131.08575	19.4
133.09218	5.5
133.10098	39.5
133.97874	5.9
135.11703	14.9
137.06001	6.3
137.09634	17.1
143.08589	14.5
145.10132	36.3
147.08003	8.4
147.11679	32.6
151.11209	9.4
157.10136	24.2
159.11725	27.2
161.13252	19.2
162.46016	6.4
163.11246	7.5
163.14836	23.2
169.10153	6.9
171.11702	14.7
171.24600	6.4
173.13327	16.6
175.14853	7.1
183.11809	14.4
185.13275	9.0
187.11189	10.0
187.14819	11.0
189.16371	10.4
197.13261	11.2
201.12892	6.6
205.12144	6.9
211.14836	11.1
213.16393	6.7
219.13828	7.3
229.12209	9.8
234.12418	6.1
239.17928	13.0
253.19502	9.3
257.19162	9.5
275.20172	23.8
281.18823	10.0
299.20047	64.6
317.21161	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01867	2.8
55.05512	7.3
56.91277	1.7
57.03432	4.9
57.07074	6.5
59.04982	2.0
64.27566	1.8
65.03932	3.4
67.05509	14.1
67.58530	1.7
69.03430	40.4
69.07066	24.4
70.20125	9.5
70.20415	1.9
71.04980	5.8
73.02898	2.1
79.05502	16.6
81.03416	24.1
81.07059	100.0
82.07378	2.0
83.04984	6.5
83.08595	3.6
85.02903	24.2
85.06538	14.7
86.09706	4.0
87.00814	9.6
91.05477	11.0
93.07043	23.2
95.04975	10.1
95.08603	41.3
95.09167	3.4
97.02895	15.5
97.06536	8.5
99.04469	8.0
99.08094	2.9
105.01875	4.9
105.07038	17.3
107.04955	8.3
107.08601	21.9
109.02882	16.3
109.06517	7.1
109.10152	12.3
111.04482	4.9
111.08099	6.7
111.11730	11.4
115.03908	5.1
115.05441	3.0
115.22326	1.9
117.07018	3.8
118.04106	1.8
118.26351	1.8
119.04967	2.1
119.08560	11.8
121.06506	4.6
121.10157	10.6
123.04417	3.2
123.08083	5.6
123.11698	2.3
126.58614	2.2
127.03913	30.0
129.01862	6.2
131.04907	2.7
131.08603	7.1
133.06508	4.1
133.10132	19.9
134.74121	1.7
135.04347	2.4
135.08070	5.9
135.11719	7.8
137.05991	5.2
137.09633	9.1
137.13255	24.8
143.08569	5.4
145.04997	2.4
145.06477	3.3
145.10191	4.9
147.04436	2.6
147.08119	3.7
147.11716	5.1
149.09631	3.6
149.13303	6.0
151.07535	2.9
153.05492	4.0
153.12735	5.2
155.14337	12.6
155.33025	2.0
157.10129	3.7
159.11606	3.9
161.05972	3.0
161.13301	4.6
163.03902	2.7
163.11206	2.6
165.09125	3.6
165.12807	3.3
167.07053	21.2
167.76654	2.0
173.13278	3.4
175.02673	2.3
175.07498	2.1
177.00688	2.1
177.05505	3.3
177.09119	2.7
177.12706	2.2
179.07077	2.9
179.14339	4.2
181.04993	14.6
187.05994	3.8
187.11218	3.7
189.03920	3.3
191.07004	2.4
191.10643	1.9
191.14313	9.0
195.13937	2.4
201.03709	2.2
205.12297	4.9
209.15367	3.3
227.14368	2.6
231.04976	26.3
245.15384	8.4
249.06126	2.4
263.16357	11.3
281.07944	2.8
349.16495	11.4
367.17447	7.7
371.11234	3.9
385.13336	2.7
385.18677	6.3
399.46573	2.2
403.13412	9.6
404.14166	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
65.03940	1.1
67.05526	0.5
69.03430	1.0
69.07066	1.0
69.28403	2.2
69.28828	1.8
72.08154	1.1
79.05499	1.3
80.60132	0.3
82.04213	0.4
84.75097	0.3
85.02925	2.0
86.09708	1.9
91.05492	0.8
93.07056	0.5
95.04978	0.9
97.02916	0.5
97.06544	0.4
98.97597	1.1
105.07040	1.1
107.04957	1.9
110.03680	0.7
110.89491	0.3
115.05452	0.5
116.98657	0.7
123.04433	0.8
124.05222	0.4
125.06017	0.6
133.06497	1.5
143.56943	0.3
147.04427	1.2
151.03920	0.4
155.07086	0.5
161.06009	1.9
167.07076	2.8
171.06587	0.9
181.04956	12.1
182.05414	0.5
193.08653	2.2
210.06546	1.3
219.13182	0.4
221.05119	0.9
221.08095	4.7
234.57274	0.3
249.07549	2.8
271.11642	0.5
318.82721	0.4
333.08148	0.9
335.09644	1.0
349.03085	0.5
372.11441	0.4
373.12653	0.5
402.53052	0.4
403.15784	100.0
404.16022	2.9
419.12460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.3
53.03933	1.9
55.01861	2.1
55.05495	4.0
55.10803	1.1
55.13414	1.1
57.73495	1.0
60.65421	1.0
63.75311	1.1
65.03930	4.9
67.01201	1.2
67.05489	5.3
69.07055	3.1
69.37557	10.9
70.06319	0.9
70.06593	11.7
71.06917	1.6
77.03902	1.5
78.04714	2.6
79.05495	10.7
81.07063	7.4
83.04964	2.4
83.08632	1.6
84.08132	5.1
85.02884	2.1
85.08465	1.3
89.03924	5.5
91.05481	37.1
92.05819	4.4
93.07044	5.6
94.04178	2.6
95.04974	6.5
95.05503	1.1
95.08616	6.1
96.08134	1.7
96.08916	1.7
100.07606	3.4
103.05444	13.8
104.06229	4.6
105.03378	7.5
105.07035	11.8
106.04205	1.7
107.04962	9.4
107.08563	6.6
108.08912	1.5
109.06512	4.4
109.10168	7.5
110.10497	1.3
111.04419	3.1
111.08037	1.4
112.11258	6.1
113.11580	1.4
115.05430	5.7
117.03370	4.5
117.07018	2.9
118.04146	3.4
119.04944	32.8
119.08574	6.5
120.05253	6.2
120.08985	1.4
121.06506	7.1
121.10133	4.0
122.03619	6.4
123.04404	4.0
123.08090	1.2
123.11688	2.5
124.05220	1.6
125.05971	2.2
128.07072	4.5
129.01909	1.9
129.13841	3.7
130.04091	1.9
131.04929	36.1
131.08592	1.7
132.02066	2.5
132.05708	33.7
133.02850	18.0
133.06497	7.2
133.10147	3.1
134.03639	2.8
135.04402	6.9
135.07990	1.3
135.11714	1.8
136.04779	1.4
136.11227	2.8
137.05975	29.0
137.09622	2.2
138.03152	1.3
142.08664	2.6
143.04950	2.9
145.02821	4.0
145.10136	2.6
146.03622	3.3
147.04410	100.0
147.11707	2.3
148.04723	22.8
148.11104	1.6
149.04916	1.9
149.05980	9.8
151.03799	2.4
151.07536	1.7
153.05502	2.6
157.10046	1.1
159.04381	2.3
159.08049	1.6
159.11685	2.0
160.05217	15.2
161.02338	3.7
161.05994	15.6
161.13280	1.3
162.03130	2.5
162.06700	1.5
163.03909	29.3
163.07568	6.5
164.04207	7.6
165.05484	42.9
165.06865	1.9
165.09081	1.8
166.05934	1.3
166.08617	2.5
167.03465	1.5
167.07040	44.8
168.07249	1.3
168.10181	6.5
169.10481	2.7
171.04350	2.4
171.11592	1.8
173.05905	2.5
173.13203	1.3
175.03899	2.1
175.07584	2.0
176.04736	2.3
177.05475	21.6
177.06888	1.1
178.06152	3.4
179.07072	6.3
180.07788	8.6
181.04955	6.9
181.08569	2.6
185.05908	1.4
187.07524	1.2
187.14737	1.8
189.05382	1.7
191.07027	29.7
192.07811	76.4
193.04959	26.9
193.08572	10.6
194.11761	8.2
195.06581	1.7
195.12091	5.6
199.03912	4.8
201.05508	2.5
203.07045	2.8
204.10211	13.7
205.10510	4.1
207.06528	4.7
209.08115	4.8
210.08876	3.7
215.07272	1.4
219.06506	7.5
219.11336	1.3
220.05080	1.7
220.09639	5.7
221.10104	1.4
222.06795	1.9
225.07588	1.4
231.06509	13.3
233.06189	1.4
235.07494	3.0
247.07549	2.1
249.07753	1.5
251.07065	1.6
251.10760	1.1
263.06921	2.7
264.07813	1.8
265.05139	1.7
265.08731	2.0
275.06952	1.6
275.17502	3.3
276.17862	4.3
277.08728	1.7
280.07294	3.3
289.08304	1.3
291.06461	1.5
292.07266	2.3
292.17252	1.9
293.07895	2.1
295.09622	5.6
306.08762	1.7
307.09583	3.7
309.07428	1.3
321.07535	1.7
325.10681	2.8
335.09085	4.0
341.10199	2.2
353.10138	20.9
355.11816	4.2
356.29370	3.2
357.29807	10.0
359.31369	1.3
367.11713	22.1
373.12747	2.0
375.14490	2.0
384.28934	1.3
385.12750	11.7
385.29440	4.6
402.30029	21.5
403.13809	7.3
403.30344	89.1
420.67743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05512	1.6
57.07053	0.2
58.63002	0.2
60.80869	0.2
64.65273	0.2
65.03921	0.4
65.42613	0.2
67.05502	3.0
68.05009	0.5
68.78230	0.2
69.03412	0.6
69.07072	2.7
70.06591	9.8
70.48990	1.0
79.05478	1.8
81.07060	4.2
82.06593	0.4
83.04962	1.1
83.08614	0.7
84.08142	3.1
85.02914	0.8
85.06503	0.2
91.05489	1.6
93.07030	2.7
95.04949	0.7
95.08607	6.0
96.08139	1.3
97.10149	0.4
98.09682	0.5
100.07604	2.7
103.05437	0.7
105.07032	3.0
106.06532	0.2
107.04991	0.4
107.08585	4.0
108.08120	0.9
109.06515	0.8
109.10144	6.9
111.04454	0.8
114.05526	1.2
114.09178	0.5
116.07076	0.3
117.07029	0.3
119.08582	3.9
121.06518	0.4
121.10137	3.1
122.09681	0.9
122.19359	0.3
123.04404	0.4
123.08101	0.3
123.11703	0.8
124.11242	0.5
127.03862	0.4
128.06215	0.5
128.07088	4.8
131.04904	1.8
131.08562	0.9
132.05264	0.9
133.10117	2.6
135.08084	0.5
135.11702	1.5
135.12601	0.3
136.11214	3.3
137.05977	0.4
137.09602	1.6
137.13231	0.7
142.08621	3.4
145.10104	1.3
147.04384	0.8
147.11664	1.2
148.11205	0.6
149.05968	0.3
149.09680	0.3
149.13240	0.8
150.12769	0.7
152.14330	0.3
154.08626	0.5
157.10100	0.4
159.04395	0.6
159.11710	1.0
161.05862	0.4
161.13264	1.2
163.14845	0.6
165.05492	0.4
166.08649	1.8
167.03412	0.6
167.07051	4.4
168.10194	8.2
173.13268	0.8
175.14882	0.3
177.12706	0.5
177.16373	0.3
181.04893	0.4
181.10992	0.8
182.11792	1.8
187.14821	0.8
189.16350	0.6
191.07034	0.7
192.07797	0.3
194.11736	4.5
196.13341	0.4
201.16393	0.3
209.07968	0.2
213.16374	0.4
217.08585	0.3
219.06488	0.6
233.18927	0.5
272.09705	0.3
316.08945	0.9
330.11035	0.3
331.11343	1.0
338.28519	0.3
345.05753	0.3
352.12677	0.4
356.29468	13.9
357.29852	0.6
358.30957	1.8
359.31219	0.3
373.12799	0.6
384.15314	0.6
384.28922	1.1
402.30008	100.0
403.13525	1.1
403.30328	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	402.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
57.07074	0.5
59.93039	0.2
64.08947	0.2
65.03931	0.4
67.05505	3.4
68.05026	0.6
69.03430	0.3
69.07072	3.1
70.04613	0.8
70.05025	0.5
70.06593	10.1
78.95499	0.2
79.05503	1.2
80.05006	0.3
81.07055	4.1
82.06588	0.3
83.04962	0.3
83.08609	1.0
84.08144	3.8
91.05463	1.6
93.07041	2.4
94.06527	0.2
95.04978	0.3
95.08605	6.5
96.08138	1.9
97.06515	0.3
97.10169	0.5
98.09694	0.3
98.21431	0.3
100.07627	2.9
105.07023	3.3
107.04893	0.3
107.07413	0.2
107.08590	3.9
108.08111	0.7
109.06515	0.4
109.10149	6.4
111.08085	0.3
113.04729	0.2
114.05534	1.2
114.09158	0.4
116.07106	0.7
119.04929	0.4
119.08572	4.6
119.09354	0.4
120.08130	0.4
121.10143	3.0
122.09653	1.1
123.11707	1.0
124.11247	0.5
128.07060	4.7
131.08569	1.0
133.10156	2.3
135.08038	0.5
135.11685	1.6
136.11203	3.1
137.09599	1.4
137.13245	0.6
142.08638	3.1
145.10117	1.4
147.04382	0.6
147.11690	1.5
148.11185	1.2
149.02344	5.7
149.09621	0.4
149.12086	0.3
149.13283	0.4
150.12766	0.6
154.08601	0.3
159.11711	1.0
161.05969	0.3
161.13268	0.9
163.14841	0.9
166.08656	2.3
167.07059	1.4
168.10201	9.5
171.11790	0.3
173.13280	0.8
175.14774	0.2
177.05522	0.3
177.12825	0.6
177.16380	0.4
181.10988	0.8
182.11761	1.8
187.14839	0.7
189.16388	0.7
191.06955	0.3
192.10147	0.3
194.11760	6.4
199.14822	0.3
201.93936	0.3
203.17970	0.3
205.16061	0.3
207.06580	0.4
223.09679	0.8
233.19020	1.0
335.14459	0.2
340.30307	0.3
356.29462	12.7
357.29980	0.5
358.31094	1.5
384.28970	2.7
390.88351	0.3
402.30014	100.0
403.30402	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	402.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.01846	0.2
55.05512	1.4
57.07065	0.5
58.81565	0.2
63.16737	0.2
65.03929	0.5
65.23681	0.2
65.64430	0.2
67.05495	3.3
68.05027	0.7
69.03417	0.3
69.07062	2.2
70.06591	11.4
71.04985	0.4
75.18114	0.3
76.88646	0.2
79.05500	1.3
81.07053	4.5
82.06573	0.5
83.08611	0.9
84.08144	3.9
85.06532	0.3
91.05483	2.4
93.07026	2.3
94.06555	0.3
95.04942	0.3
95.08603	6.6
96.08118	1.4
97.10161	0.4
98.09656	0.6
100.07615	3.2
105.07026	3.0
106.06628	0.3
107.04906	0.3
107.08586	4.1
108.08109	0.8
109.06497	0.4
109.10154	6.6
112.11228	0.6
114.05537	1.7
114.09144	0.3
116.07092	0.5
117.06990	0.5
119.04931	2.7
119.08569	4.7
120.08113	0.4
121.10143	3.4
122.09644	1.1
123.08077	0.5
123.11696	1.1
123.74483	0.4
124.11218	0.6
128.07072	4.9
131.08563	1.3
133.10126	3.1
134.09665	0.3
135.04376	0.4
135.08060	0.7
135.11659	1.7
136.11226	3.1
137.06000	0.5
137.09622	1.1
137.13232	0.3
142.08624	3.6
145.02834	0.3
145.10158	1.6
147.04407	8.2
147.11671	1.7
148.04735	0.7
148.11177	1.6
149.12080	0.3
149.13240	0.6
150.12758	0.8
154.08629	0.5
157.10236	0.3
159.11707	1.6
161.13246	1.1
163.03900	2.3
163.11273	0.3
163.14766	0.6
164.04198	0.3
166.08636	2.3
167.07022	0.9
168.10188	8.6
171.11632	0.3
173.13272	1.1
175.14874	0.6
177.12724	0.5
178.08588	0.2
181.10979	0.7
182.11778	1.7
187.14827	1.2
189.16417	0.4
192.07814	0.6
192.10207	0.7
194.11761	12.2
199.14865	0.3
201.16440	0.4
203.17970	0.4
204.10149	1.1
220.09706	0.6
229.37099	0.4
233.19009	0.7
275.17508	0.5
312.36511	0.3
340.29749	0.5
356.29480	12.9
357.29712	0.6
358.31067	1.6
364.11282	0.3
384.15588	0.4
384.28915	4.3
385.28915	0.5
402.30005	100.0
403.30267	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	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.6
55.01860	13.3
55.05513	41.4
55.10992	6.0
56.96560	12.3
57.03426	26.7
65.03926	7.4
67.05501	100.0
69.03423	14.1
69.07069	62.1
70.15518	38.3
73.28482	6.6
79.05505	61.0
81.03387	13.8
81.07065	84.5
83.04980	27.7
83.08617	23.5
85.06540	9.0
91.05498	64.6
92.05779	6.9
93.07028	70.1
95.04961	22.8
95.08620	57.3
97.02905	8.2
97.06532	19.4
97.10146	16.8
98.97576	7.1
105.07036	49.7
107.04983	8.0
107.08594	60.2
109.02875	8.1
109.10182	43.0
117.07010	24.4
119.08578	37.0
121.10143	27.2
123.08035	8.2
125.09629	21.1
131.08562	21.3
133.10118	32.2
135.08049	15.1
135.11708	35.7
143.08528	9.3
145.10149	36.1
147.11720	17.8
149.09596	20.0
149.13255	16.2
159.11690	28.4
161.13258	9.2
163.03859	7.4
163.11163	11.5
167.06981	20.5
173.11752	13.3
173.13252	14.1
175.64104	6.8
177.12782	11.3
185.13322	7.9
195.13817	8.6
227.12735	11.7
229.14250	48.3
239.18109	8.6
255.15941	40.8
257.19025	17.4
269.17496	51.7
275.20047	53.5
349.23813	65.0
413.73721	8.7
415.54166	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01869	11.5
55.05501	15.7
57.03451	6.7
57.07052	3.2
64.98786	3.0
67.05505	54.8
69.07079	16.7
70.01584	10.3
70.01981	6.5
71.04975	7.6
71.08614	4.5
79.05489	24.3
81.03424	7.1
81.07055	52.4
83.04966	9.2
83.08614	11.1
85.06531	5.0
87.04451	5.7
91.05475	32.0
93.07044	27.4
95.05000	17.4
95.08598	24.2
98.21426	4.1
105.07017	31.3
107.04943	11.0
107.08602	27.2
109.06493	8.2
109.10161	34.3
111.04421	4.1
111.08050	3.8
117.07013	7.0
119.08600	17.4
121.10136	7.1
123.08041	10.7
123.11711	8.0
125.09599	9.2
131.08566	10.3
133.10139	39.0
135.11694	6.9
137.09639	7.9
145.10100	6.1
147.11700	5.6
149.09642	6.2
151.11153	26.9
159.11673	6.4
163.11169	6.4
173.13231	4.0
177.12810	4.6
187.70541	3.8
193.12273	5.0
209.11769	4.0
247.20491	4.8
253.14319	28.1
257.19025	5.1
267.15912	6.3
271.15375	4.1
275.20038	31.6
285.16891	13.5
293.21115	14.3
349.23755	14.2
365.91592	4.0
367.24817	100.0
385.25705	5.7
394.41141	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43529	9.7
55.05498	30.5
65.41451	11.0
67.05502	89.8
68.42976	9.3
69.07082	53.5
71.04976	12.0
71.59825	16.7
74.00804	9.4
76.38274	9.0
79.05499	70.7
81.07056	100.0
83.04981	30.8
83.08640	18.4
85.06512	12.1
91.05478	38.7
92.82765	10.8
93.07042	72.3
95.04951	17.1
95.08590	38.3
97.06546	24.3
97.10181	10.5
98.34826	10.2
105.07022	54.8
107.08598	63.6
109.06509	15.5
109.10136	34.1
114.22826	10.2
117.07013	34.4
119.08590	46.7
121.10146	37.1
123.11720	10.6
125.09570	12.1
131.08580	21.8
133.10115	41.7
135.08038	14.0
135.11678	28.8
143.08484	14.7
145.10077	31.0
147.04358	17.1
147.11694	29.7
149.09583	15.7
149.13307	22.9
159.11716	37.3
167.07057	35.1
173.13264	17.9
175.11018	9.9
180.83263	11.8
183.11703	12.6
235.16635	10.6
255.15860	65.1
257.18777	13.3
269.17560	68.0
275.20053	28.0
300.64798	10.9
349.23849	40.3
367.24921	9.9
375.17868	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	402.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
55.05507	1.4
56.78870	1.1
57.03437	13.7
59.04997	5.7
59.19458	1.1
60.04519	2.2
61.02914	1.5
61.98267	1.0
64.44869	1.1
67.41537	1.1
69.03431	56.5
70.84049	2.9
71.04972	1.8
73.02932	2.3
73.06557	100.0
74.45868	1.1
75.02666	1.1
75.04480	3.5
80.62310	1.1
81.03443	2.6
85.02907	50.4
87.04471	42.9
91.07600	19.9
97.02892	49.9
99.04455	2.2
109.02895	1.3
115.03930	83.9
116.30087	1.1
126.80714	1.1
127.03920	9.7
133.04968	83.9
145.04953	9.1
149.88036	1.2
150.07649	4.5
163.06006	2.7
169.04955	1.5
179.08789	1.2
223.11719	5.7
241.07077	2.5
253.12822	9.2
259.08249	3.3
277.09158	1.5
295.10266	4.5
403.12332	1.5
426.70212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.9
54.16504	1.1
55.01868	8.2
55.05506	1.7
57.03434	6.7
60.04504	1.9
61.02925	6.4
68.99783	4.4
69.03423	27.8
69.83769	2.0
69.84180	3.9
70.06589	2.7
71.04989	4.1
72.08127	1.3
73.02924	9.1
79.05492	1.4
80.05006	1.7
81.03419	31.5
81.07052	3.3
83.01337	1.2
85.02900	100.0
86.09722	2.6
87.00293	2.3
87.00826	37.2
87.04469	1.3
91.03945	4.3
91.05488	5.2
93.07034	1.4
97.02887	44.2
98.03205	1.0
98.06075	1.3
98.21470	2.1
99.04450	18.7
105.01862	49.0
108.04477	15.6
109.02875	32.7
109.03590	2.2
109.10094	1.1
110.10488	1.6
111.25577	1.1
115.03954	1.7
116.07109	1.3
117.01890	6.5
126.05508	8.0
127.03912	72.7
128.04276	1.6
129.01843	4.1
135.44084	1.1
145.04955	42.1
147.02892	3.2
154.08627	2.2
159.02876	24.1
159.04103	1.9
163.03867	2.6
177.03923	1.5
177.05449	1.5
190.15753	1.0
212.05598	1.2
213.03969	3.8
230.06621	6.6
231.04982	20.7
248.07649	12.5
249.06059	5.5
266.08746	2.9
359.16684	1.7
403.15649	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	401.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91286	2.8
54.79741	2.7
55.05510	23.8
58.55696	2.7
59.04834	3.1
67.05507	12.9
69.07063	5.9
70.18352	4.9
70.18642	14.6
71.59592	2.9
71.84294	2.6
79.05483	3.3
81.07052	11.2
83.04985	37.6
83.08620	5.1
83.87546	2.6
84.53409	3.1
88.44882	2.7
91.05476	15.5
93.07043	13.4
95.04983	7.1
95.08609	23.6
97.02892	3.0
97.06507	4.5
97.10159	3.9
104.71329	2.8
105.07043	17.2
107.08591	16.6
107.66776	3.2
109.02831	3.8
109.10144	24.8
117.07034	8.5
119.08584	100.0
121.10167	10.8
123.08047	6.0
123.11747	3.4
129.06950	3.7
131.08583	16.6
133.10141	25.3
134.40643	2.8
135.11679	7.8
143.08560	6.3
144.09311	4.5
145.10127	34.1
147.11719	18.1
157.10158	12.5
159.08076	4.3
159.11693	38.8
161.13260	8.4
167.07022	7.2
171.11703	14.1
173.13307	12.5
183.11768	4.3
185.13255	14.6
187.14824	11.7
189.16364	5.0
199.14862	11.8
201.16393	16.5
213.16298	3.8
226.78355	2.9
241.19524	31.9
255.21078	14.2
265.19510	4.2
276.92465	3.0
283.20535	11.1
301.21701	25.1
401.27258	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	401.2689
Annotation	Vibsanin R
Peak:m/z	Relative Intensity
54.94778	5.7
55.05307	5.7
55.05515	60.8
57.07069	7.6
63.77645	5.5
63.87736	7.1
67.05493	17.8
69.07051	8.3
71.60309	11.7
81.07043	11.5
83.04979	100.0
83.08600	8.2
90.19614	7.0
91.05478	19.7
93.07032	16.7
95.08590	24.4
104.97763	6.5
105.07032	28.3
107.08582	24.9
109.10164	26.3
119.08592	45.4
121.10152	15.1
123.11652	7.0
131.08585	16.4
133.10092	18.9
135.08017	7.3
143.08510	9.8
145.10091	15.8
147.11697	12.8
157.10146	13.4
159.11697	31.3
161.13248	10.1
163.32765	5.8
169.10135	6.3
171.11662	12.5
173.13199	10.4
180.09517	6.5
182.88577	5.8
185.13266	9.1
187.14859	7.9
189.16394	8.1
201.12904	8.4
201.16367	7.5
208.14026	7.1
237.16269	8.5
255.21107	12.4
262.59607	5.8
299.20157	11.7
301.21573	24.2
401.27097	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	401.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10900	2.0
55.05265	2.8
55.05510	33.1
57.07058	2.6
67.04565	2.0
67.05500	11.7
69.07052	8.3
69.36853	22.6
70.23548	2.1
79.05471	7.0
81.07038	11.7
83.04980	44.7
83.08626	2.9
91.05476	15.3
93.07037	12.6
95.04942	3.1
95.08596	24.0
97.10094	2.7
102.54178	2.0
105.07028	21.5
107.08594	16.0
109.06487	4.6
109.10152	23.0
112.32637	2.2
117.06973	6.0
119.08583	100.0
121.10126	11.1
123.11681	6.6
129.06984	2.8
131.00856	2.0
131.08568	8.7
133.06421	2.7
133.10149	20.9
135.11697	5.1
137.09644	2.3
139.07555	2.1
142.07837	2.4
143.08548	8.3
144.09346	2.8
145.10124	36.5
147.11699	14.8
149.13206	2.5
157.10118	11.8
158.18741	2.1
159.11687	41.6
161.13264	10.1
169.10062	3.0
170.10899	3.5
171.11670	13.8
173.13246	10.5
183.11711	3.7
185.13283	15.8
187.14835	17.0
199.14861	11.8
201.16351	16.9
213.16302	4.7
227.14380	2.3
231.13695	4.3
241.19510	25.1
255.21039	12.6
283.20425	12.1
301.21664	30.4
302.21967	3.0
367.97360	2.7
401.27042	5.9
419.22690	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	401.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52387	2.2
53.03952	2.4
55.05517	34.1
57.07067	3.8
62.81499	2.1
67.05508	13.7
69.07076	8.0
69.61616	15.1
71.04970	2.6
71.69526	2.1
74.37170	1.9
79.05502	8.5
81.07072	13.5
81.07453	2.2
83.04990	45.2
83.08612	5.9
91.05481	17.6
93.07053	16.2
95.05000	5.0
95.08617	24.6
97.06551	3.0
97.10178	3.4
103.05566	2.2
103.06347	2.3
105.07046	24.3
107.08601	20.7
109.10149	19.3
112.03267	2.4
117.07046	9.1
119.08587	100.0
121.10171	10.1
123.11739	4.7
129.06998	3.4
131.08597	13.7
133.10109	21.0
135.11717	7.9
143.08586	6.6
144.09413	3.0
145.10117	43.2
147.11707	21.6
149.13237	3.6
153.09236	2.6
156.09364	3.6
157.10141	11.7
159.11714	39.4
160.12009	2.5
161.13199	10.3
170.10933	4.8
171.11679	11.3
173.13327	11.1
175.14745	2.1
181.97495	2.1
183.11586	2.3
185.13284	14.1
187.14787	15.4
189.16638	2.2
191.10806	2.2
197.13310	2.6
199.14864	14.6
201.16405	16.4
213.16435	5.0
241.19499	35.5
245.15494	3.1
255.21046	13.5
265.19461	2.7
283.20523	11.2
301.21576	29.1
358.70459	2.2
401.22351	7.8
401.27042	4.1
419.22327	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	401.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54929	3.6
55.05512	32.3
67.05498	11.5
69.07066	13.2
79.05476	5.7
81.07047	15.4
83.04974	38.7
83.08626	9.0
91.05473	22.8
92.97800	4.1
93.07033	14.2
93.87271	3.8
95.04945	6.6
95.08604	27.6
105.07045	26.0
107.08595	17.5
109.10156	20.6
115.78936	5.0
117.07011	11.6
119.08582	100.0
121.10139	11.8
123.11687	8.0
124.36995	4.0
131.08568	12.7
133.06474	3.8
133.10147	24.0
135.11647	8.6
143.08566	9.6
145.10132	46.0
147.11693	22.1
155.32460	4.7
157.10118	12.3
159.11688	31.8
161.13214	6.3
165.09204	4.3
167.06992	4.6
171.11736	12.9
173.13304	11.8
185.13263	16.2
187.14844	16.3
199.14806	15.3
201.16347	18.6
213.16296	7.3
241.19492	32.1
243.70555	3.8
255.21091	16.5
283.20349	8.3
301.21661	25.5
330.11145	4.6
427.49106	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	401.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	61.6
58.21972	2.9
63.23257	3.2
67.05495	12.6
69.07072	7.7
69.83568	20.8
77.85906	3.2
79.05488	4.8
81.07059	19.2
83.04979	100.0
83.08611	5.0
91.05479	15.2
93.07028	17.3
95.08607	49.7
98.20874	4.8
105.07022	25.3
107.08579	19.5
109.10152	15.9
111.04418	3.8
117.07005	5.7
119.08575	74.6
121.10165	18.5
123.11740	6.2
131.08542	12.2
133.10124	31.1
135.11722	6.7
143.08553	7.2
144.09296	3.3
145.10129	28.6
147.11687	14.0
149.13248	4.8
157.10086	15.8
159.11682	41.0
161.13226	14.3
163.11253	3.9
171.11656	12.8
173.13249	19.8
185.13252	13.8
187.14865	11.4
189.16359	8.5
197.13284	4.1
199.14815	8.0
201.16367	20.3
211.18466	4.4
213.16521	6.1
234.63063	3.5
241.19492	15.2
255.21123	18.1
283.20529	7.9
301.21637	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	401.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27498	2.0
53.03926	3.9
55.05513	66.4
58.23378	2.6
64.92402	2.2
65.50586	2.2
67.05501	7.9
69.07059	3.8
71.20065	3.2
71.20383	3.9
79.05500	4.3
81.07061	14.4
83.04482	4.9
83.04981	100.0
83.08620	2.1
84.53205	2.5
91.05501	6.7
93.07049	10.0
95.04954	2.8
95.08607	24.1
97.61333	2.3
99.28703	2.3
105.07018	14.9
107.04936	3.0
107.08591	20.1
109.06539	2.3
109.10152	14.7
117.07015	3.4
119.08567	21.4
121.10126	14.8
123.11700	9.9
131.08556	5.9
133.10107	11.2
135.11717	4.8
135.69400	2.5
143.08533	3.5
145.10141	6.5
147.11676	11.0
149.13286	4.2
155.10693	4.0
157.10110	5.2
159.08104	3.4
159.11703	7.3
161.13249	4.4
165.12737	2.5
169.10005	3.2
171.11647	4.0
173.13329	7.2
175.11209	5.4
185.13306	4.9
187.11229	4.0
193.12245	3.1
201.12753	7.4
205.12202	7.0
217.12196	3.6
219.13783	13.0
231.14059	2.7
245.15305	4.5
283.20465	4.3
301.21594	7.3
401.27448	3.0
401.38220	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	401.2685
Annotation	Vibsanin R
Peak:m/z	Relative Intensity
50.22866	3.1
55.05269	3.7
55.05512	55.3
57.07058	3.2
57.47491	2.9
59.74257	2.9
67.05499	6.3
69.07047	5.0
70.93142	9.4
71.60020	3.1
78.71490	2.9
79.05469	3.3
81.07063	8.2
83.04984	100.0
85.89452	3.2
91.05474	5.6
93.07030	10.7
95.08597	16.3
97.63156	2.9
102.22312	3.3
105.07035	10.9
107.08599	18.0
109.10154	10.1
113.31468	2.9
117.26058	3.2
119.08593	31.1
121.10143	6.8
131.08568	5.2
133.10114	15.3
135.11749	6.7
143.08522	3.9
145.10130	13.2
147.11684	9.0
151.07544	40.8
157.10135	4.7
159.11719	16.3
161.13280	7.5
168.94916	3.1
171.11740	3.9
173.13258	7.3
177.12726	3.4
185.13200	4.7
187.14842	6.6
199.14845	4.5
201.16356	5.4
241.19548	6.6
255.21039	7.6
265.19598	3.8
283.20572	5.1
301.21570	19.0
319.22684	17.0
329.75177	3.1
360.31476	3.2
373.27151	3.8
401.26801	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01275	1.5
53.03938	2.8
55.05513	65.3
61.51835	1.5
67.05508	15.4
69.03427	2.4
69.07071	4.0
69.62399	1.5
69.65355	12.8
69.65681	1.5
74.86175	1.6
79.05496	7.4
81.07053	11.6
83.04985	100.0
83.08581	1.6
86.84301	1.6
91.05488	3.8
93.07052	8.7
95.04970	17.8
95.08610	29.7
97.06529	2.4
105.07037	8.2
107.07881	2.8
107.08597	34.2
109.06538	2.6
109.10155	13.6
111.08092	3.3
116.48631	1.4
117.06999	2.4
119.05045	1.8
119.08595	29.0
121.10161	20.1
123.11720	14.4
131.08586	5.4
133.10146	13.3
133.38956	1.8
133.70853	1.6
135.11696	10.4
137.09679	1.8
137.13268	2.8
145.10150	9.1
147.07979	2.0
147.11719	9.3
149.09622	3.5
149.13263	13.3
151.11288	1.9
157.10172	4.7
159.11688	13.6
161.13271	6.3
163.11174	2.4
163.14896	1.8
165.12746	4.7
170.10905	1.7
171.11664	4.2
173.13300	5.4
175.14864	8.1
177.09128	4.0
177.11429	1.7
177.12679	7.8
185.13263	4.5
185.45331	1.6
187.14833	7.3
189.16397	3.1
192.35974	1.6
199.14679	2.1
201.16457	7.4
203.14380	2.3
213.16399	2.7
217.15909	3.1
245.22638	3.9
255.21156	9.8
273.22150	8.1
283.20544	3.6
301.21661	12.0
401.26364	2.0
401.38287	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	401.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.05518	43.2
58.42966	3.2
60.55006	3.3
65.88062	2.8
67.05503	14.5
69.07064	7.6
70.65091	7.2
70.65467	6.6
79.05492	7.7
81.07059	15.6
83.04988	100.0
83.08611	9.3
91.05477	15.0
92.52781	3.6
93.07048	18.9
95.05005	6.0
95.08614	46.3
97.50109	3.1
105.07040	33.0
107.08585	28.7
109.10178	19.4
115.05525	3.7
117.07029	5.1
119.08589	80.7
121.10149	24.5
123.11721	8.1
131.08557	15.0
133.10146	41.0
135.11716	11.7
143.08560	7.1
145.10123	26.7
147.11702	20.9
149.13275	5.2
156.09354	4.5
157.10170	10.3
159.11703	32.1
161.13249	19.9
171.11696	13.6
173.13274	20.3
185.13258	12.8
187.14833	17.2
188.15543	3.5
189.16389	8.2
197.13203	3.5
199.14807	14.3
201.16353	22.3
213.16438	8.8
219.13815	4.0
231.13892	3.6
241.19533	12.3
255.21111	18.1
283.20651	9.3
301.21597	38.8
334.59589	3.2
377.96393	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	401.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01854	1.3
55.05511	60.8
57.03421	1.2
57.07065	1.5
57.52129	1.0
65.03946	2.4
66.19227	1.1
67.05167	1.9
67.05505	27.3
69.03416	3.0
69.07080	6.9
69.91876	6.7
79.05499	7.6
79.05885	1.3
79.58042	1.2
81.07060	18.0
83.04983	100.0
83.08620	3.2
84.05288	1.2
91.05466	10.4
93.07037	17.3
95.04972	26.4
95.08606	32.0
96.05245	1.1
96.08929	1.6
97.06506	2.1
105.06409	1.5
105.07038	13.5
106.46954	1.0
107.08598	35.0
109.06532	4.3
109.10157	16.5
111.08077	3.0
117.06995	2.9
119.08584	28.2
119.09361	0.7
120.08878	1.3
121.06490	1.2
121.10139	25.5
123.08047	2.4
123.11704	19.2
127.40347	1.1
129.07001	2.1
131.08563	8.7
133.06491	1.4
133.10143	13.8
135.08040	3.6
135.11681	11.0
142.07796	1.3
143.08560	2.0
144.09351	1.3
145.10115	6.7
147.11649	6.8
149.09608	4.0
149.13261	15.7
151.07553	1.3
157.10172	5.4
158.10808	1.2
159.11690	13.5
161.13228	7.4
163.11256	1.9
163.14784	2.1
165.12749	4.8
169.09991	1.3
170.10924	1.2
171.11661	5.9
173.13249	8.2
175.11162	1.9
175.14865	8.0
177.09088	4.5
177.12767	10.5
177.16370	3.2
185.13272	6.2
187.11163	1.2
187.14815	5.7
189.16382	2.3
197.13298	1.3
199.11250	1.4
199.14734	5.3
201.16379	2.4
202.75984	1.1
203.14273	1.7
203.17889	1.2
205.15768	2.1
213.16414	2.1
217.12276	1.4
219.13808	1.7
229.19437	1.6
241.19522	3.3
245.19016	1.8
245.22659	4.1
255.21048	6.9
265.19354	1.3
273.22046	7.3
283.20572	3.1
301.21619	5.9
318.67291	1.2
383.25528	1.4
401.38214	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	24.8
57.07079	3.2
63.57201	1.6
67.05505	9.9
69.07056	7.8
70.35794	7.1
70.96984	1.7
71.35721	2.1
74.23428	1.8
79.05484	5.9
81.07061	10.0
83.04982	32.5
83.08612	2.1
91.05480	21.2
93.07022	10.3
95.04942	2.3
95.08614	24.4
97.06506	2.5
105.07034	27.2
107.08598	17.0
109.02855	2.1
109.10159	23.1
117.07012	10.2
119.08578	100.0
120.08911	3.2
121.06485	2.8
121.10135	9.1
123.11700	4.7
129.06982	4.3
130.07741	2.4
131.08588	12.3
133.10138	21.9
135.11710	3.8
142.07748	2.4
143.08548	7.3
144.09424	2.9
145.09059	3.0
145.10136	43.1
147.11690	20.0
149.13312	3.1
156.09335	4.0
157.10138	12.5
158.10847	2.8
159.11702	47.1
161.09674	2.1
161.13231	8.1
169.10097	4.7
170.10867	3.0
171.11707	15.9
173.13283	10.6
175.14810	2.8
185.13281	16.3
187.14807	12.6
189.16443	2.6
199.14825	9.4
201.16423	14.7
213.16345	5.9
231.13776	2.6
241.19482	29.6
255.21153	14.3
283.20566	8.6
301.21588	22.4
315.08319	2.0
401.27045	4.5
425.95892	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.9
55.05513	56.3
57.07066	6.4
67.05491	13.1
69.07066	9.2
71.08622	3.3
71.59621	5.6
79.05472	8.0
81.03395	4.0
81.07049	15.3
83.04482	5.2
83.04980	100.0
83.08598	4.3
84.05331	3.7
85.28618	3.1
86.09692	10.4
87.10027	3.8
91.05460	8.6
93.07041	10.8
95.04984	4.9
95.08596	25.2
96.15755	2.7
105.07027	15.3
107.08588	17.8
109.06504	3.7
109.10168	17.1
111.08076	13.8
117.06993	3.9
119.08578	49.8
121.10144	12.2
123.11684	6.4
126.87763	3.4
130.39635	2.9
131.08582	6.5
133.10109	15.1
135.11656	5.6
137.99736	3.8
143.08578	3.8
145.10133	17.5
147.11668	14.3
156.09352	4.2
157.10146	9.3
159.11731	23.7
161.13246	5.4
169.10173	4.1
171.11690	7.1
173.13255	13.5
175.11244	3.5
185.13245	5.9
186.14897	4.1
187.14943	7.2
188.15562	4.2
189.12814	3.2
199.14851	6.6
201.16397	11.2
213.16222	3.8
225.51210	3.3
241.19485	12.2
250.26035	3.1
255.21040	11.4
283.20523	9.8
301.21616	24.0
383.32886	3.7
401.38190	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	401.2687
Annotation	Vibsanin R
Peak:m/z	Relative Intensity
50.02142	2.0
54.64664	2.1
55.05268	3.4
55.05515	56.5
67.05497	11.3
69.07063	6.7
69.29062	24.9
79.05491	7.8
80.17876	2.0
81.07059	18.9
83.04480	4.8
83.04985	100.0
91.05467	7.4
93.07046	22.6
95.08617	33.7
97.10142	2.7
97.58118	2.5
103.04877	1.9
103.70061	2.2
105.07023	12.6
107.08601	25.7
109.10155	20.1
111.04441	9.5
117.07022	4.4
119.08589	15.8
121.10137	22.7
121.82907	2.0
123.11708	7.6
128.06238	2.4
131.08595	4.6
133.10129	15.0
135.11714	17.7
142.07834	2.6
143.08597	4.9
145.10130	9.8
147.11678	9.0
149.13255	12.5
157.10091	4.1
159.11705	9.9
161.13287	8.9
163.14816	6.3
171.11752	2.7
173.13275	4.7
185.13298	3.9
187.11189	4.4
191.10559	2.3
191.17926	8.6
197.09537	2.3
199.11288	2.9
199.14844	3.0
203.18001	5.3
205.12244	5.7
213.12752	2.4
219.13925	3.9
227.14359	2.1
231.13791	5.6
239.57799	2.0
241.19589	2.6
245.15317	4.9
253.06645	2.3
273.21698	2.1
283.20486	9.8
301.21655	39.7
302.21893	3.6
386.76691	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05514	60.2
55.37471	2.0
67.05497	8.3
69.07062	7.0
69.08134	2.2
71.58626	2.7
73.37897	1.9
79.05488	7.0
81.07068	13.7
83.04986	100.0
91.05479	7.4
93.07045	15.1
95.04973	2.1
95.08605	20.6
97.10171	2.5
98.04952	2.0
101.20992	2.0
105.07026	9.4
107.08598	15.9
109.10167	13.5
111.04462	5.1
111.11646	2.1
119.08600	12.3
120.33686	1.9
121.10130	22.0
123.11700	5.6
124.28850	2.0
131.08571	5.4
133.10149	9.9
135.11722	10.7
138.57188	2.1
144.71838	2.2
145.10133	4.5
147.11700	5.8
149.13234	5.0
157.10136	3.7
159.11700	4.4
161.13185	4.4
163.14835	4.2
173.13255	6.2
175.14838	2.4
179.39070	1.8
187.11128	2.2
191.38205	2.0
199.14825	3.0
201.16432	3.1
203.17990	3.4
205.12175	3.1
231.13824	5.8
241.19763	2.5
245.15443	4.0
255.21103	3.5
283.20587	4.1
301.21655	24.9
359.49130	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.5
55.05259	4.1
55.05511	59.1
65.99586	2.3
67.05497	7.5
69.07065	6.6
70.46506	8.5
79.05498	7.0
81.07059	14.0
83.04984	100.0
83.08620	5.0
91.05466	8.0
93.07040	10.1
95.04962	3.6
95.08611	17.7
105.07041	15.6
107.08624	13.3
109.10155	10.2
117.07005	3.4
119.08593	46.0
121.10124	7.6
123.11783	5.3
131.08595	7.4
133.10152	14.0
135.11690	7.1
145.10120	9.6
147.11684	7.4
157.10133	8.6
159.11687	15.2
161.13255	8.2
171.11734	4.7
173.13269	10.5
175.14828	3.0
185.13271	4.7
187.14833	5.2
189.12642	3.5
199.14810	6.4
201.16385	8.2
222.27069	3.2
235.82835	2.3
241.19435	5.7
255.21060	7.6
283.20560	7.5
284.11490	2.7
301.21564	17.8
401.26923	3.7
401.38098	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	401.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	66.8
57.07072	7.1
60.77414	5.4
64.84399	4.2
67.05490	7.8
69.07047	8.9
71.61376	8.5
78.59348	4.7
79.96944	4.8
81.07061	12.3
83.04982	100.0
83.08594	5.9
91.05485	8.0
93.07040	10.2
95.08614	23.3
105.07056	13.3
107.08601	14.0
109.10172	13.7
119.08593	37.9
121.10175	15.1
131.08577	9.2
133.10121	14.9
145.10146	11.4
147.11650	7.9
157.10229	7.3
159.11694	17.6
161.13174	8.5
171.11734	5.3
173.13257	10.7
185.13281	8.9
187.14899	10.1
187.95795	5.9
201.16414	12.8
218.98463	4.6
241.19518	10.5
255.21017	13.6
301.21652	22.2
401.18155	5.4
401.34433	8.5
428.79468	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	401.2686
Annotation	Vibsanin R
Peak:m/z	Relative Intensity
53.03931	0.8
55.05508	18.8
55.33709	0.8
57.07078	2.2
57.18840	0.8
67.05505	4.6
69.07059	1.9
70.17946	3.3
71.08627	1.0
79.05490	2.9
81.07050	5.5
83.04978	100.0
83.08584	0.9
91.05476	3.4
93.07038	7.3
95.08607	13.2
97.02869	1.6
97.10175	0.8
101.05988	1.2
105.07025	4.3
107.08588	9.6
109.02764	0.7
109.10143	8.1
111.04422	2.5
113.26764	0.7
119.08572	5.6
121.10143	6.8
123.11706	1.9
125.06004	1.0
127.03883	0.8
129.25049	0.8
131.08614	1.4
133.10143	4.3
135.11696	5.5
138.35089	0.8
143.08543	1.7
145.10092	3.4
147.11682	2.7
147.55225	0.7
149.13251	4.1
159.11705	2.7
161.09662	0.8
161.13264	2.6
163.14813	1.8
171.11676	1.4
172.77664	0.9
173.13292	1.5
177.09259	0.9
182.63579	0.9
185.13271	1.0
187.11160	1.0
187.14854	1.6
191.10777	1.0
191.17955	1.1
199.11125	0.9
199.14842	0.9
201.16486	1.0
203.17972	1.5
205.12256	1.1
213.12785	1.0
219.13696	1.3
231.13779	2.1
239.18199	0.9
239.23615	2.2
241.15819	1.1
245.15372	1.5
255.21051	1.7
283.20554	3.4
301.21622	13.1
325.65280	0.8
401.26865	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
53.52982	4.5
55.01866	9.9
55.05510	36.6
57.03428	19.1
57.07064	15.8
61.02914	10.1
67.05502	33.2
69.03425	20.7
69.06726	4.9
69.07071	49.9
69.59082	27.3
71.04991	36.3
71.08615	6.8
73.02908	8.0
79.05502	29.7
81.03412	15.7
81.07060	100.0
83.04983	9.7
83.08618	23.2
85.02902	52.3
85.06539	8.2
87.04451	5.9
91.05479	20.8
93.07047	65.8
95.04962	16.4
95.08604	81.0
97.02904	25.4
97.06540	9.5
97.10174	11.6
99.04470	5.6
99.08102	14.0
103.05470	6.3
105.07031	50.2
107.04951	12.6
107.08597	94.4
109.02943	10.1
109.06540	5.9
109.10153	66.3
111.04440	10.2
111.08069	8.6
111.11716	13.2
113.09621	5.5
115.03925	11.5
115.05505	5.5
117.07003	15.4
119.08598	70.0
121.06474	7.3
121.10152	47.8
123.04445	5.6
123.08047	17.4
123.11719	73.2
125.09618	14.9
127.03940	7.3
127.11189	24.8
129.07008	6.4
131.04945	12.5
131.08560	18.5
133.04967	16.2
133.06509	6.0
133.10127	31.9
135.08138	4.6
135.11690	91.6
136.12029	4.3
137.05977	8.4
137.09602	19.3
137.13245	17.1
139.11241	5.2
141.07007	4.6
142.07739	5.5
143.08566	9.6
143.10664	22.7
145.06502	10.3
145.10123	22.4
147.08099	7.7
147.11682	33.0
149.13286	43.1
151.07581	4.5
151.11172	10.5
153.12732	15.3
156.09326	4.4
157.10143	25.6
159.08051	11.1
159.11687	40.0
161.05954	6.0
161.09605	5.9
161.13260	19.1
163.11194	5.2
163.14850	6.5
165.12730	7.8
167.07057	47.1
169.10184	11.4
171.08035	4.6
171.11671	17.0
173.13261	12.2
175.11217	8.1
175.14888	7.4
177.05394	6.3
181.04962	15.0
183.11670	10.1
185.13269	5.1
187.07545	4.5
187.14771	6.4
189.12692	7.7
197.13290	6.4
203.17958	41.8
205.08597	5.3
205.19514	39.1
207.11752	8.6
208.05058	5.2
213.12656	5.4
215.17935	8.3
217.08583	9.3
219.08095	5.2
219.10107	6.3
219.17336	10.1
221.19011	48.1
223.20506	9.2
225.12753	8.6
233.18950	20.6
239.19963	8.8
241.15935	5.5
243.13777	7.9
243.17397	7.5
245.18988	10.2
247.07533	5.1
247.09845	6.0
257.04446	8.9
261.14856	6.3
263.20093	6.7
269.08063	6.4
269.13837	6.0
279.06400	4.7
279.15768	4.9
311.20151	10.4
315.08685	25.8
329.21075	5.8
330.11029	25.7
343.11774	6.5
347.22144	17.7
351.12308	9.8
365.23428	19.8
383.15060	30.3
383.24152	16.8
385.11459	4.6
401.16147	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	401.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.3
57.07069	2.5
63.24118	2.0
67.05502	15.9
69.03435	14.4
69.07056	11.0
69.46657	11.9
69.47086	8.5
74.71104	2.8
79.05503	14.4
81.07044	16.4
83.04973	7.7
83.08606	4.8
87.04483	3.2
90.11916	2.2
91.05481	24.7
91.41664	2.3
93.07050	22.5
95.04968	4.8
95.08614	19.3
96.51118	2.4
97.02908	6.1
97.06537	18.0
103.05447	2.9
105.07024	26.5
107.04953	6.4
107.08598	38.2
109.06499	15.1
109.10173	20.4
111.04430	10.8
111.08050	7.3
115.05450	2.6
117.07001	4.9
119.08584	29.5
121.06538	14.3
121.10131	22.7
123.08077	18.8
123.11670	3.5
125.05981	3.9
129.06982	4.1
131.08566	8.8
133.06494	4.5
133.10130	24.2
135.08051	96.4
135.11673	10.0
137.05998	3.4
137.09627	23.1
137.42938	2.2
139.07584	3.8
142.07761	3.3
143.08522	8.1
145.10146	14.4
147.08026	5.9
147.11682	11.2
149.09648	11.0
151.07545	3.0
155.08456	3.1
156.09332	3.8
157.10143	16.9
159.08043	5.6
159.11761	11.3
161.09592	9.5
161.13240	10.1
163.07404	2.3
163.11163	7.7
167.07008	3.2
169.10143	4.1
171.08047	3.3
171.11726	15.5
173.09633	3.7
173.13278	8.7
175.11171	13.7
175.14806	10.0
177.12753	7.7
179.10745	3.8
181.10101	3.3
183.11693	4.5
185.09602	5.5
185.13289	11.2
187.11176	8.9
187.14844	5.5
189.09067	2.5
189.12801	5.7
193.10155	2.6
195.11729	4.9
197.13281	4.4
199.11168	5.9
199.14790	9.4
201.12819	3.7
203.10674	7.9
203.14334	16.0
205.12170	3.1
207.11850	2.3
209.13350	3.6
211.14784	4.1
213.12801	12.5
215.10692	2.7
217.12216	2.8
217.15807	6.6
223.14919	2.5
227.14357	3.1
227.18002	4.8
237.12791	2.8
237.16368	4.5
241.19206	2.9
251.17957	5.0
255.13821	3.3
255.17497	12.4
269.18973	9.7
273.18463	7.6
279.17422	6.8
287.20120	4.9
297.18478	35.6
315.19559	100.0
401.24237	2.4
401.33487	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	401.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.05506	29.1
56.96548	7.5
57.07065	8.3
63.01401	6.0
65.03919	6.5
67.05495	28.1
69.03432	92.1
69.07066	21.3
79.05492	32.4
81.07046	38.6
83.04995	41.3
91.05473	41.0
93.07039	71.7
95.04961	13.7
95.08611	47.6
103.05479	23.6
105.07060	51.8
107.04948	6.9
107.08594	60.5
109.06501	6.3
109.10148	31.7
111.04445	35.7
111.08083	12.5
117.06989	7.6
119.08586	70.6
121.06532	15.3
121.10143	100.0
123.08081	9.2
123.11720	12.7
125.09645	5.9
129.06989	14.6
131.04915	34.0
131.08569	30.3
133.10129	57.0
135.08046	74.4
135.11690	28.0
137.13214	5.3
142.07751	7.9
143.08554	16.7
145.10133	36.3
147.04411	8.5
147.08038	6.1
147.11696	35.6
149.09618	16.1
149.13271	7.7
151.07698	7.7
157.10103	34.1
159.08034	10.3
159.11690	32.2
161.09613	19.1
161.13220	10.9
163.03876	13.5
163.07515	14.6
165.09091	8.0
167.07166	7.1
169.10112	13.2
170.10916	8.5
171.07965	6.8
171.11703	35.5
173.09619	11.3
173.13284	17.5
175.11111	5.9
175.14746	11.6
177.09171	8.5
177.16396	14.1
183.11716	9.8
185.09657	18.7
185.13264	21.8
187.11121	8.4
187.14815	20.0
189.12727	11.7
189.16403	16.7
193.10129	6.3
195.11725	13.7
197.13313	11.4
199.11180	17.4
199.14861	16.3
201.12865	6.6
203.10606	11.3
205.12366	8.0
205.15871	17.2
209.13275	7.3
211.11147	6.2
211.14803	10.9
213.12688	15.1
217.12244	15.5
225.12764	5.1
227.17885	13.9
229.14574	5.0
231.13737	15.0
241.19501	17.1
251.17995	14.0
255.17484	18.6
269.18976	26.3
273.18500	10.8
285.18716	9.3
287.20029	53.9
297.18515	37.9
315.19519	55.7
369.98782	6.0
401.22720	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	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01882	2.7
55.05502	24.2
57.03436	3.2
57.07071	17.3
59.25574	1.8
61.02920	10.3
67.05510	13.7
68.99785	6.2
69.03426	23.7
69.07066	100.0
70.07401	2.1
70.85017	5.3
71.04986	4.9
72.08961	1.8
78.50018	1.8
78.51010	1.6
79.05498	9.6
81.03410	20.3
81.07057	18.8
83.04970	14.5
83.08619	27.4
84.08172	2.3
85.02905	26.7
85.06571	1.8
87.00833	14.1
91.05480	18.0
91.67974	2.2
93.07044	29.0
95.04969	6.4
95.08611	12.7
97.02892	8.9
97.06532	3.4
99.04459	7.0
105.01864	9.6
105.07022	14.0
107.04939	4.7
107.07969	2.3
107.08609	24.1
109.02875	23.2
109.06507	7.3
109.10160	8.7
111.04455	4.7
111.08104	3.3
112.11230	2.3
115.03938	2.7
116.06289	2.1
117.07006	2.7
119.04940	9.9
119.08575	12.6
121.06544	5.7
121.10133	8.4
123.04400	4.2
123.08042	2.2
123.11692	2.9
125.13264	71.3
126.13577	2.6
127.03922	31.4
129.01839	11.8
131.08572	4.8
133.10117	5.7
135.08029	3.8
135.11705	20.8
137.05957	5.2
137.13217	2.8
143.08611	2.3
145.04962	4.8
145.06506	2.2
145.10107	8.0
147.02905	7.2
147.04408	32.7
147.11702	9.9
148.04747	2.8
149.09599	2.2
149.13292	2.4
151.07578	2.4
151.11162	6.8
153.12776	12.6
157.10115	4.8
159.08032	4.7
161.05984	2.4
161.09698	4.0
163.03914	2.7
163.11130	9.1
165.12753	6.6
167.07088	12.2
167.08351	2.5
173.09666	2.4
175.11179	3.3
177.12689	4.6
179.10654	3.3
181.04953	4.9
185.09653	2.0
191.07019	2.5
193.12230	4.7
204.10158	3.8
205.08655	3.0
207.08403	6.0
207.13782	2.1
209.08017	2.8
213.03972	5.8
217.08636	2.3
219.10109	2.1
219.13800	2.8
231.04971	6.1
233.09996	3.3
243.13756	5.5
261.14896	11.6
279.10458	4.3
279.15891	6.0
282.08893	2.2
291.10413	3.4
292.07083	2.2
297.11517	5.3
297.16852	3.5
315.08618	6.5
321.16983	3.1
321.60507	2.1
330.10928	9.8
347.14865	7.3
351.12244	3.3
365.11014	1.8
365.15848	9.1
383.17413	15.7
401.18268	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	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.6
55.01858	10.4
55.05504	32.9
57.03423	5.5
57.07067	14.7
61.02916	14.3
65.03944	5.3
67.05502	14.3
68.99773	10.7
69.01325	3.7
69.03426	57.2
69.07066	79.5
70.71510	6.5
70.71890	7.2
71.04980	9.0
73.02893	5.8
79.05492	17.4
80.64317	3.9
81.03414	33.7
81.07055	54.9
83.04977	34.2
83.08605	19.6
85.02901	99.0
86.09733	4.5
87.00821	41.6
91.05489	24.7
93.07036	71.9
95.04959	12.9
95.08614	35.4
97.02891	34.8
97.06553	6.5
97.32597	3.6
99.04433	13.7
103.03917	5.3
105.01849	47.9
105.07012	33.7
107.04959	9.6
107.08589	100.0
109.02874	37.0
109.06516	12.9
109.10126	13.4
111.04436	9.7
115.03889	8.3
117.07018	8.3
119.04919	11.3
119.08565	22.6
121.06459	6.0
121.10147	14.6
123.04426	9.1
123.08049	18.1
123.11714	8.1
125.13261	44.4
127.03908	52.6
129.01822	12.4
129.06949	4.1
131.08556	16.0
133.06458	5.1
133.10106	15.2
135.08081	5.3
135.11674	70.3
137.05998	14.3
137.13271	8.1
141.06906	3.6
143.08543	8.3
145.04936	12.7
145.06523	3.5
145.10098	16.1
147.02899	4.7
147.04395	29.3
147.08022	7.6
147.11632	18.1
149.13239	9.6
151.07483	3.7
151.11147	8.4
153.12743	27.3
155.08467	5.8
157.10118	7.8
159.02927	6.2
159.07990	9.7
159.11682	9.0
161.05930	3.7
163.03848	3.2
163.07533	6.0
163.11200	26.5
165.09177	3.5
165.12735	28.9
167.07068	27.3
169.10149	3.1
169.37979	3.6
173.09622	6.0
173.13335	3.9
175.11234	7.9
175.78717	3.2
177.05524	4.2
177.12769	9.4
179.10701	3.8
185.09555	4.4
187.07532	4.9
189.03995	5.9
189.09044	3.6
189.12714	4.7
191.06964	5.5
193.12231	13.5
195.13705	4.4
197.13295	3.9
203.10670	5.1
207.13791	6.0
215.14383	6.8
217.08638	4.7
219.13800	11.1
231.04971	14.3
243.13734	24.4
261.14847	84.8
269.08078	3.1
274.58893	3.1
279.15881	9.4
285.74356	3.9
297.16919	11.6
307.09613	3.7
311.12592	3.8
315.08401	6.0
321.16895	13.8
330.10944	13.9
344.94861	3.4
347.14856	34.8
351.12164	3.8
365.15942	31.2
383.17273	28.7
401.18326	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	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.9
55.01872	17.0
55.05516	19.3
57.03431	10.4
57.35652	3.1
59.04995	3.2
61.02934	14.3
67.05502	24.0
68.99794	16.2
69.03429	74.1
69.03802	4.1
69.07067	23.8
71.01357	3.4
71.04990	14.8
71.42787	5.9
72.08165	3.1
73.02917	11.8
79.05492	24.8
81.03419	66.1
81.07060	70.4
82.07402	3.6
83.04963	6.9
83.08626	13.5
85.02903	100.0
87.00834	45.5
91.05468	29.5
92.32504	2.6
93.07043	57.8
93.07619	3.7
95.01344	3.4
95.04970	19.7
95.08605	41.1
97.02894	47.9
97.06528	26.2
99.04481	17.0
103.03959	6.2
103.05479	2.8
105.01871	38.1
105.07018	31.2
107.04927	5.8
107.08585	67.7
109.02876	41.1
109.06526	18.9
109.10165	19.8
111.04462	8.2
111.08054	4.0
112.84776	3.5
115.03926	9.3
117.01865	4.0
117.07030	7.2
119.08575	25.4
121.06477	6.1
121.10155	19.0
123.04433	30.5
123.08096	13.2
123.11709	6.8
125.06014	4.5
125.09686	3.4
125.13229	3.0
127.03918	82.7
127.04803	5.4
129.01842	17.1
129.07037	6.9
131.08548	15.6
133.06494	3.4
133.10144	15.2
135.08089	5.2
135.11693	55.1
137.06017	4.3
137.09622	6.5
137.13258	6.8
139.07529	3.9
141.05559	3.2
142.07765	4.7
143.08574	7.7
145.04938	28.3
145.06082	3.2
145.10127	16.5
147.02892	11.3
147.08017	5.7
147.11685	15.9
149.06007	3.9
149.09622	5.4
149.13248	4.6
151.07559	10.6
151.11180	9.9
153.12761	31.1
155.07047	3.4
157.10178	8.1
159.02884	16.5
159.08060	4.0
159.11713	18.7
161.09636	4.8
163.11162	15.5
165.12726	19.2
167.07019	6.8
169.10121	3.2
171.11595	5.7
173.09599	3.7
175.11183	8.2
177.12743	6.7
179.07002	5.5
179.10579	3.4
187.11182	4.1
189.03954	5.0
189.12793	3.7
193.12299	10.2
197.08060	3.7
197.13336	4.8
201.12779	5.6
207.13849	3.9
213.03917	4.8
219.13847	8.0
225.12764	5.4
231.05077	7.1
243.13770	20.9
253.98439	2.9
261.14841	37.7
279.15961	8.6
297.16644	3.5
321.16888	10.1
347.14856	24.0
357.24060	3.0
365.16110	17.6
383.16946	11.3
401.18167	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	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.5
55.01871	15.8
55.05510	26.3
57.03437	11.7
57.07059	12.4
58.27667	3.6
59.04964	5.1
61.02919	19.0
67.05507	29.8
67.05811	5.4
68.99783	10.7
69.03433	73.0
69.07069	59.6
69.79961	10.2
69.80373	16.9
71.04999	60.7
72.04890	4.1
73.02907	7.5
79.05501	32.2
81.03417	60.5
81.07061	80.7
82.07429	4.1
83.04972	13.7
83.08620	16.8
85.02907	81.1
87.00832	46.2
91.05489	39.4
93.07047	68.8
94.95657	5.4
95.04977	29.6
95.08614	41.4
97.02895	55.5
97.06515	9.1
99.04443	14.6
99.08081	15.0
103.03961	21.8
105.01861	19.6
105.07018	48.9
107.04968	12.3
107.08595	57.2
109.02883	28.9
109.06514	100.0
109.10153	55.2
111.04475	6.6
115.03925	18.3
115.82361	4.4
117.07025	17.6
119.04885	7.1
119.08587	65.0
121.06535	28.2
121.10139	23.4
123.04441	17.3
123.08080	15.8
123.11695	21.4
125.13241	10.5
127.03905	32.2
127.11188	17.2
129.01845	20.4
129.05440	5.2
129.06984	13.8
130.07748	5.1
131.04921	5.3
131.08560	20.9
133.06496	15.3
133.10165	26.2
135.08018	14.5
135.11713	39.0
137.05995	5.3
137.09637	21.1
137.13248	12.1
139.03926	5.5
139.07536	6.3
139.11166	6.7
143.08549	10.4
145.04959	6.2
145.06459	7.7
145.10124	37.0
147.02907	9.7
147.08112	21.2
147.11662	15.5
149.05966	5.5
149.09621	12.7
151.07607	5.8
151.11188	16.4
153.12756	25.6
155.07147	4.3
155.08508	7.4
155.10712	6.1
157.10004	6.0
159.02884	11.9
159.08115	12.6
159.11707	20.4
161.09570	4.6
163.11163	15.2
165.12720	28.2
171.08046	7.2
173.09647	36.5
173.13252	8.7
175.07571	10.4
175.11156	7.7
177.12775	44.0
189.03943	15.1
189.09041	5.2
189.12749	12.5
191.10669	15.6
195.13832	41.4
201.03951	16.6
201.12750	10.0
207.13762	9.5
215.14302	14.2
219.13803	14.9
231.05067	14.0
233.15320	7.2
237.14867	24.8
242.32556	4.5
243.13863	30.4
261.14883	40.9
279.15930	11.9
347.14926	10.2
365.16119	24.0
383.16940	19.1
401.18103	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	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.1
53.78205	2.9
54.76438	2.9
55.01858	10.1
55.05256	2.8
55.05511	9.6
57.03421	3.7
57.07072	9.8
59.05000	3.9
61.02921	5.9
65.03942	3.4
67.05511	27.3
68.99791	8.1
69.03436	26.3
69.07071	25.0
69.48720	17.0
69.49154	11.7
70.06585	7.8
71.01349	3.6
71.04977	5.6
72.08147	5.8
73.02905	5.6
79.05508	19.0
81.03432	15.9
81.07063	100.0
83.04639	2.4
83.04997	29.6
85.02908	41.1
85.06544	6.1
86.09703	12.3
87.00846	20.0
91.05479	21.8
93.07044	34.5
95.04962	13.6
95.08617	57.9
97.02897	39.2
97.06520	5.1
99.04449	8.4
103.03934	6.0
103.05478	20.1
105.01867	12.9
105.07056	16.2
107.04967	6.1
107.08604	28.5
109.02878	10.0
109.06547	10.7
109.10155	29.8
111.04443	3.9
111.08051	4.1
115.03934	20.8
116.98585	4.0
117.06995	7.2
119.08557	15.7
121.02831	13.3
121.06484	8.7
121.10159	21.4
123.04464	3.3
123.08048	8.8
123.11713	5.4
125.02354	3.1
127.03880	15.2
129.01831	6.4
131.04936	43.9
131.08546	9.1
133.06477	3.0
133.10138	10.9
135.08058	7.6
135.11707	17.6
137.05995	5.2
137.09618	8.7
137.13264	30.4
139.07500	4.0
145.04955	4.7
145.06461	4.1
145.10121	5.1
147.04463	3.5
147.11697	7.2
149.06047	4.6
149.09639	11.5
151.07552	5.8
151.11186	7.8
153.05508	7.8
157.10182	4.0
159.02910	7.2
159.11737	5.4
161.06052	3.5
161.09601	7.4
163.03976	3.7
163.11227	9.7
165.09093	4.6
165.12785	26.4
167.07042	8.2
173.09605	4.8
177.05518	6.2
177.09137	6.0
177.12756	11.9
179.07054	3.3
179.10683	8.1
179.14304	6.3
181.04929	7.0
195.13791	8.6
203.10576	4.9
205.08586	4.6
205.12326	3.7
207.13837	12.5
215.14241	3.1
219.04979	5.4
219.13872	3.6
237.14966	5.7
243.13776	11.7
261.14969	10.5
278.59665	2.9
279.16193	3.6
315.08487	6.6
315.14185	4.2
330.11063	6.0
347.15161	3.4
357.15134	18.5
365.15790	7.2
376.99170	3.6
383.17255	21.8
401.09634	5.3
401.14212	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	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
53.72186	0.6
55.01879	3.3
55.05508	27.9
57.03435	1.5
57.07071	14.9
59.04996	1.4
59.06370	0.5
61.02921	7.1
65.03944	0.9
67.01885	0.6
67.05500	9.0
68.99786	9.4
69.03429	20.4
69.07065	100.0
69.42145	6.8
70.07404	0.8
71.01353	0.7
71.04981	5.2
71.08676	0.7
73.02908	2.2
73.77326	0.6
79.05492	7.0
81.03414	14.6
81.07054	16.0
83.04979	23.3
83.08614	23.9
85.02903	22.0
87.00826	11.7
87.04464	0.8
91.05480	7.7
93.07040	16.8
94.07728	0.8
95.04958	4.7
95.08601	9.9
97.02893	11.2
97.06509	4.0
99.04437	5.0
99.08105	2.8
103.03969	2.6
105.01859	5.2
105.07019	7.1
107.04929	3.3
107.08599	14.5
107.09291	1.0
109.02876	18.1
109.06517	8.1
109.10146	8.1
109.10825	0.8
111.04460	3.3
111.08096	2.0
115.03947	3.0
117.07046	2.8
119.04961	0.8
119.08571	6.3
121.06496	3.8
121.10117	5.0
123.04458	1.8
123.08018	3.8
123.11716	5.2
125.05984	0.9
125.09656	1.0
125.13264	66.9
125.79115	0.7
127.03910	22.6
128.06242	1.0
129.01834	10.6
129.05510	1.6
129.07066	1.2
131.04918	1.1
131.08566	4.0
133.06485	1.8
133.10133	4.2
135.04424	1.9
135.08083	4.3
135.11691	12.3
137.05974	1.0
137.09647	1.6
137.13290	2.5
139.11186	2.3
143.08612	1.7
145.04997	1.9
145.06502	1.1
145.10144	3.2
147.02913	7.8
147.04416	2.3
147.08014	3.2
147.11693	3.6
149.09637	2.3
149.13235	2.1
151.11171	9.1
151.12178	0.8
153.12744	12.7
154.13138	0.9
155.08620	0.9
157.10175	1.2
159.02930	2.2
159.08093	2.1
159.11729	2.7
161.09660	2.5
161.13268	1.2
163.07507	3.5
163.11198	3.9
165.12753	5.4
167.07076	4.7
171.11664	1.2
173.09673	2.7
173.13293	1.6
175.07666	1.6
175.11263	1.8
177.09164	2.2
177.12750	5.0
179.10721	2.3
181.05002	1.3
181.08583	1.3
183.11765	0.9
185.09724	1.3
189.03973	3.7
189.12732	1.6
193.12341	1.9
195.13831	2.3
201.12720	2.0
203.10565	1.2
205.08604	1.8
207.13896	1.7
213.03894	5.3
215.14372	1.3
217.08467	1.2
219.13928	2.4
225.12802	1.3
231.04951	6.6
233.15195	0.7
236.04764	0.8
237.14938	1.3
242.52737	0.7
243.13832	5.0
247.09740	1.2
252.80206	0.8
261.14841	9.2
279.15976	2.6
297.17014	2.2
315.08481	1.5
330.11032	2.9
339.18204	0.8
347.14960	2.7
365.16074	5.4
383.17209	13.4
401.18082	15.0
402.18896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.2
55.01851	6.9
55.05486	12.6
57.03420	9.5
57.07056	10.9
59.04984	4.0
61.02919	8.2
65.03953	3.9
67.05493	19.5
68.99767	12.5
69.03428	44.5
69.07066	30.1
69.75183	3.8
69.80271	26.9
71.04992	37.9
73.02918	6.8
75.79255	3.6
79.05494	22.4
81.03410	38.5
81.07046	48.0
83.04954	7.9
83.08614	12.7
84.74520	3.9
85.02908	44.5
87.00832	28.4
91.05480	20.2
93.07034	34.4
95.04967	18.7
95.08609	34.1
97.02902	31.0
97.06526	8.4
99.04454	13.8
99.08091	12.3
103.03919	16.3
103.05424	8.5
105.01854	15.3
105.07018	31.1
107.04940	7.4
107.08583	36.3
109.02843	17.6
109.05783	6.8
109.06514	100.0
109.10143	55.7
111.04437	4.5
111.08129	4.8
115.03912	16.8
117.07016	10.7
119.08572	30.2
121.06516	28.2
121.10107	17.9
121.67359	3.8
123.04418	9.6
123.08073	9.8
123.11710	13.5
125.05922	4.6
127.03925	27.0
127.11204	7.3
129.01785	6.3
129.06992	7.1
131.04919	24.3
131.08560	18.8
133.10129	17.5
135.08009	8.0
135.11708	23.9
137.09584	23.6
137.13266	12.8
139.07494	5.8
143.08568	9.8
145.05008	4.5
145.06567	4.9
145.10100	16.4
147.02882	5.7
147.07993	11.2
149.09621	8.9
151.07512	5.9
151.11186	14.1
153.12747	14.4
155.10651	6.1
159.11592	8.6
161.09689	5.4
163.07559	6.8
163.11217	9.6
165.09132	6.1
165.12764	16.7
167.07008	5.6
171.02896	5.3
171.07947	5.8
173.09607	20.4
175.07506	9.0
177.12737	21.9
187.07460	4.4
189.03957	6.9
189.09081	5.0
189.12819	7.5
191.10660	11.3
193.12222	6.7
195.13788	46.3
201.12701	6.9
216.55673	4.4
219.13789	15.1
233.15358	7.4
237.14848	14.2
243.13797	12.0
261.14871	28.3
279.15955	5.0
326.61774	3.8
330.10852	5.9
347.14749	4.9
350.84286	4.0
365.15732	6.9
383.16705	13.0
401.17947	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	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.1
55.01870	11.1
55.05513	21.6
57.03430	11.4
57.07061	5.5
61.02927	10.9
65.03925	4.8
67.05507	26.8
68.99778	8.0
69.03432	50.7
69.07074	37.8
70.06581	4.4
70.84827	7.5
71.01353	5.5
71.05006	33.0
72.08147	9.6
73.02876	5.5
79.05504	22.7
81.03413	35.9
81.07054	74.6
83.04985	11.8
83.08625	9.9
85.02907	64.6
86.09704	15.9
87.00831	35.1
91.05473	30.7
93.07058	47.7
95.04976	21.7
95.08584	28.8
97.02876	25.3
97.06564	5.6
99.04457	10.7
99.08076	11.8
103.03941	14.1
105.01855	13.1
105.07033	44.8
107.04953	13.3
107.08578	36.6
109.02906	27.6
109.06523	100.0
109.10165	68.7
111.04447	7.6
115.03934	12.5
117.06992	13.1
119.08574	37.1
121.06493	39.1
121.10147	20.5
123.04411	12.0
123.08047	10.9
123.11719	16.8
125.13268	6.5
127.03930	24.8
127.11198	14.1
129.01860	11.7
129.06999	6.1
131.08557	20.9
133.06491	13.0
133.10123	12.4
135.04390	4.8
135.08072	12.4
135.11696	26.9
137.09647	16.5
137.13226	6.9
143.08553	12.9
145.04973	6.7
145.10133	18.8
147.02879	9.5
147.08052	10.8
147.11673	7.7
149.13152	5.8
151.07553	6.2
151.11205	15.4
153.12770	22.3
155.08458	4.6
155.10634	4.7
157.06439	5.4
159.02882	5.5
159.07904	5.2
159.11705	10.5
161.09634	6.0
163.03922	7.7
163.11180	7.2
164.98633	4.9
165.12730	15.8
167.07114	7.9
173.09610	27.6
173.13193	7.3
175.07558	6.7
175.11084	5.6
177.09163	4.4
177.12756	30.8
185.09732	5.7
187.10994	5.6
189.03958	13.1
191.10693	8.7
193.12212	10.2
195.13803	52.4
201.03961	6.1
215.14334	6.5
219.13794	15.8
231.05046	6.3
233.15549	5.3
237.14903	17.1
243.13812	19.7
261.14819	30.9
277.03339	4.6
279.15958	7.2
365.16199	6.8
383.16956	17.5
401.17825	13.2
404.04709	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	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
55.01871	13.2
55.05513	24.6
57.03434	11.8
57.07071	17.3
57.72711	4.4
59.05025	5.7
59.37177	5.0
61.02915	14.2
63.86435	4.8
65.03933	6.3
66.99447	4.9
67.05496	31.2
68.63577	4.6
68.99788	17.1
69.03429	84.2
69.07076	66.9
70.06590	12.1
70.85738	9.4
70.86096	10.4
71.01360	7.6
71.04998	69.0
72.08150	5.8
73.02917	5.3
75.97729	4.2
79.05486	33.2
81.03412	52.0
81.07059	87.9
83.04989	15.5
83.08627	20.2
85.02914	93.4
85.06480	5.9
86.09737	7.7
87.00822	41.2
87.04460	9.6
88.04824	6.0
91.05483	43.5
93.07047	52.2
95.04966	26.1
95.08606	31.6
97.02892	54.8
97.06534	10.6
99.04441	15.1
99.08092	16.4
103.03962	19.8
105.01883	20.6
105.07035	56.0
107.04951	18.5
107.08607	66.1
109.02871	40.2
109.06520	100.0
109.10154	62.1
111.04430	9.4
115.03944	32.2
116.58454	5.1
117.07039	19.2
119.08585	74.8
121.02864	4.7
121.06503	45.2
121.10095	25.8
123.04403	18.2
123.08083	27.0
123.11733	20.7
125.05987	8.6
125.09650	5.8
125.13284	9.2
127.03922	45.9
127.11183	12.5
128.06236	10.3
129.01848	17.1
129.07013	10.3
130.07835	7.2
131.08565	36.1
133.04947	8.6
133.06508	9.8
133.10152	21.3
135.08049	22.5
135.11690	51.8
137.05994	6.8
137.09615	21.8
137.13275	11.5
139.11200	7.0
143.08554	14.9
145.04915	16.4
145.10133	40.5
147.02885	13.5
147.04416	10.5
147.08054	21.6
147.11714	7.5
149.09634	11.5
149.13274	9.6
151.07570	10.9
151.11182	22.5
153.12729	20.3
155.08556	7.8
157.10162	6.0
159.02827	10.3
159.08034	16.7
159.11696	20.1
161.09627	7.5
161.13234	9.0
163.03917	10.1
163.07506	6.9
163.11198	16.7
165.09155	6.1
165.12744	26.8
167.07091	10.7
171.02907	7.2
171.08110	8.8
171.11678	5.3
173.09616	36.4
173.13246	8.2
175.07532	11.6
175.11064	5.5
177.12755	46.8
181.12186	6.5
183.11751	10.3
187.11182	6.6
189.03993	19.0
189.09038	5.7
191.10762	16.4
191.14343	5.6
193.12167	9.3
195.13828	45.5
197.13239	6.6
201.03928	16.1
201.12645	16.4
205.12500	5.9
207.13832	10.3
209.11853	7.3
215.14365	11.8
219.04965	5.0
219.13731	23.4
231.05011	12.9
233.15356	14.2
237.14877	15.8
243.13818	33.2
261.14917	44.4
279.15894	8.1
314.11331	5.0
324.81699	5.2
330.11136	7.1
347.15021	15.7
365.15814	6.8
370.55966	5.9
374.35797	4.8
383.15222	17.3
395.48715	4.9
401.17377	17.0
413.06482	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	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.3
53.70640	4.7
54.44633	4.0
55.01858	12.2
55.05497	7.5
57.03429	10.9
57.07066	12.6
67.05522	30.6
68.99789	6.2
69.03426	27.1
69.07059	15.1
69.52366	29.3
69.52779	8.3
71.05000	6.8
79.05515	22.2
81.03405	19.9
81.07063	95.7
83.04965	6.5
85.02909	44.7
85.69625	4.5
86.09683	6.5
87.00824	16.9
91.05490	22.8
93.07048	35.8
95.04964	12.1
95.08607	74.6
97.02917	22.9
99.04452	7.4
103.05418	8.4
105.01853	8.8
105.07045	24.5
107.04971	17.3
107.08605	46.6
109.02863	16.1
109.06496	10.2
109.10162	100.0
114.30122	4.2
115.03918	5.1
117.07043	5.7
119.08589	10.5
121.02885	5.7
121.06474	7.0
121.10145	18.7
123.04468	7.3
123.08064	4.0
123.11727	4.6
124.05229	6.9
125.05995	4.7
127.03965	29.7
131.04938	44.4
131.08583	9.4
133.10106	19.8
135.08003	5.2
135.11678	46.3
137.05963	5.2
137.13261	47.7
141.04831	5.3
141.48410	4.1
145.05052	7.7
145.10127	6.3
147.11668	9.3
151.11192	16.3
153.12738	15.2
156.09273	4.8
159.08005	8.0
163.11160	14.3
165.12787	8.8
167.07091	42.3
167.08408	7.2
174.06850	5.5
175.07477	5.7
175.11192	6.5
177.09132	4.1
177.12770	6.6
181.05006	4.9
181.12143	3.9
187.07503	6.0
190.96313	5.2
205.08556	7.9
207.13774	10.6
208.05191	9.5
216.03658	4.4
217.08537	12.6
218.07135	4.5
219.08160	7.3
220.08838	5.4
233.09529	4.7
243.13852	10.8
246.07108	4.6
247.09737	8.7
248.08160	6.5
256.97256	5.7
261.14835	12.1
269.07993	8.6
276.07867	4.5
279.15997	5.6
282.09024	5.5
291.10345	6.7
307.09634	9.5
311.12717	4.6
315.08691	43.7
323.12354	5.7
330.11017	43.4
331.11517	6.3
339.12140	8.8
343.11749	11.6
351.12201	12.1
357.24188	5.9
365.15933	12.0
383.14539	33.6
401.16220	14.0
409.90421	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.01880	14.6
55.05504	12.0
56.34093	2.9
56.58599	2.5
57.03426	7.2
57.07071	9.9
59.05001	3.7
61.02920	7.2
67.05505	27.3
68.99777	7.7
69.03076	3.1
69.03428	35.5
69.07066	26.8
69.60694	2.8
69.71594	12.8
69.72004	6.4
71.01353	3.5
71.04987	12.0
73.02915	5.1
79.05499	23.0
81.03416	22.9
81.07054	75.0
83.04991	17.8
83.08619	6.1
85.02900	43.1
85.06541	4.7
85.79903	2.6
86.09698	3.6
87.00832	23.6
91.05474	18.4
93.07037	39.1
95.04964	12.4
95.08601	48.7
95.09168	4.1
97.02888	26.8
97.06510	4.5
99.04448	7.8
103.03959	6.5
103.05450	3.0
105.01868	12.7
105.07011	25.7
107.04961	10.8
107.08601	37.9
109.02859	17.1
109.06533	26.1
109.10154	45.2
111.04470	6.3
111.08077	3.0
115.03922	20.1
115.05455	6.1
117.07032	28.6
118.07331	23.9
119.08570	28.9
121.06494	9.4
121.10145	17.0
123.04413	25.2
123.08076	7.6
123.11740	9.3
127.03927	25.4
127.11161	3.6
129.01845	6.7
129.07010	5.9
131.08568	10.3
133.06483	5.3
133.10138	10.1
135.08066	10.2
135.11674	30.1
137.05989	4.0
137.09628	8.9
137.13257	24.6
142.07742	3.1
145.10114	12.5
147.02893	5.1
147.08051	7.8
147.11656	8.5
149.05986	3.9
149.09625	9.5
151.07553	9.5
151.11197	10.6
153.12741	24.8
157.10114	7.7
159.08060	5.1
159.11720	7.4
161.05998	5.2
163.07474	2.9
163.11185	5.8
165.12747	24.5
167.07043	100.0
171.08066	3.2
171.11624	2.9
173.09633	9.7
173.13185	3.3
175.07536	6.5
175.11119	4.2
177.05522	4.1
177.09148	3.6
177.12744	9.1
181.05052	3.3
183.11731	3.9
183.13712	2.7
189.03856	3.9
189.12659	4.0
191.07053	6.8
191.10599	4.5
193.08620	7.9
195.13768	9.0
197.13118	3.6
201.03909	4.4
205.08578	5.1
207.13795	5.1
217.08638	4.5
219.05019	3.3
219.13799	8.3
225.12692	3.9
231.05032	10.6
243.13799	10.6
247.09689	4.2
261.14728	17.6
279.16013	6.3
330.11047	7.9
345.91122	3.0
347.14874	4.2
351.12366	4.0
365.15955	11.4
383.16718	19.1
401.16452	5.2
410.52139	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	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	2.9
53.03932	7.0
55.01876	20.6
55.05514	13.1
57.03432	10.1
57.07071	2.8
59.06577	1.8
61.02929	10.4
65.03936	4.3
67.05167	2.6
67.05502	33.3
68.99778	8.7
69.03428	50.5
69.07074	10.4
69.72382	1.6
69.87154	1.6
70.06573	4.5
71.01347	2.5
71.04986	11.6
71.11844	3.0
71.12169	2.6
72.08131	2.7
72.65550	2.3
73.02886	8.0
77.03918	2.0
79.05492	35.9
81.03415	54.8
81.07058	88.8
82.07382	2.1
83.04984	17.3
83.08607	4.1
85.02907	50.2
85.06523	5.6
86.09666	6.7
87.00833	31.1
91.03945	2.5
91.04967	3.0
91.05481	35.4
93.06480	3.9
93.07045	60.6
95.01312	4.8
95.04967	41.8
95.08610	26.9
97.02896	33.3
97.06514	10.1
99.04461	17.9
101.05977	3.8
102.59630	1.9
103.03942	11.7
103.05457	3.8
105.01867	18.3
105.07030	47.8
107.04934	13.1
107.08598	59.1
109.02877	16.2
109.05783	2.7
109.06511	37.2
109.10166	22.2
111.04443	10.3
111.08042	3.2
113.05983	8.4
115.03911	6.8
115.05347	2.4
117.01826	3.6
117.07022	11.0
119.04926	4.8
119.08588	81.7
121.02892	9.8
121.06517	12.7
121.10134	26.1
123.04433	90.5
123.08070	9.8
123.11702	4.4
125.05958	8.7
127.03909	23.9
127.07559	2.9
128.06224	5.7
129.01862	10.8
129.05470	3.4
129.06963	5.0
130.07761	2.1
131.08571	16.9
133.06464	5.5
133.10123	21.8
135.04398	2.4
135.08022	8.4
135.11694	38.7
137.05939	4.1
137.09622	10.9
137.13248	2.5
139.07565	2.3
141.05489	11.4
141.06937	3.0
142.07794	9.4
143.08612	13.9
144.09314	2.7
145.04976	9.8
145.06424	5.5
145.09042	2.9
145.10112	38.5
147.02859	7.4
147.04253	2.1
147.08008	6.4
147.11671	14.2
147.23167	2.1
149.05963	8.1
149.09563	5.2
149.13214	3.0
151.07539	25.8
151.11198	10.0
153.05397	7.7
153.06578	1.9
153.12781	10.7
155.07042	3.9
155.08522	8.2
156.09296	3.7
157.10139	19.7
159.02884	9.9
159.07991	5.1
159.11691	25.3
161.09575	4.6
161.13217	2.8
163.03888	4.7
163.11256	11.3
165.09053	3.4
165.12715	4.7
166.07661	2.5
167.07050	13.4
167.08318	3.6
168.09325	2.3
169.08673	2.3
169.10101	7.8
171.11665	10.7
173.09666	4.3
173.13199	3.7
175.11191	17.5
177.12743	7.1
179.07045	12.6
181.04906	2.5
181.10168	2.5
181.12152	2.8
182.10953	2.1
183.08163	2.6
183.11646	7.6
185.04439	2.9
185.09576	2.2
185.16470	2.6
189.03903	9.7
189.12721	5.6
192.09381	3.2
193.12225	4.4
197.08041	8.8
197.13193	7.4
201.12711	8.0
207.11595	6.9
207.13477	1.9
213.03908	2.0
215.09128	2.6
215.14241	5.6
219.13736	6.7
225.12726	10.4
231.04866	2.7
243.13800	20.3
255.08641	2.7
257.10159	2.5
261.14813	17.3
279.15881	4.4
283.08139	2.8
289.09015	2.2
301.09082	4.2
315.08472	3.0
315.14023	5.9
330.10883	3.0
347.14746	6.5
357.15225	29.1
365.15814	7.1
383.17203	20.2
396.07715	2.1
401.14093	100.0
402.14301	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.9
55.01871	4.2
55.05502	4.7
55.35929	1.8
57.07091	2.6
61.02906	3.2
67.05506	10.2
68.99792	4.8
69.03418	6.0
69.07059	7.5
70.09138	4.5
70.09553	5.3
70.79487	1.7
79.05500	16.4
79.18594	1.7
81.03429	4.3
81.07063	35.3
83.04984	7.5
85.02916	9.8
85.48290	2.0
87.00843	4.3
91.05479	6.8
93.07055	9.4
95.04965	7.5
95.08624	17.3
97.02908	9.6
98.21484	2.6
99.04460	2.1
103.05467	27.5
104.91752	2.0
105.01874	2.0
105.07030	7.9
107.04952	29.3
107.08601	6.7
109.06519	3.6
109.10181	9.7
115.03949	4.8
115.05454	4.7
116.06276	2.8
117.07057	2.9
121.02914	8.9
121.10149	4.2
123.04428	3.9
123.08099	2.0
124.05183	5.1
125.02357	5.2
125.06019	3.8
127.03938	2.9
128.06161	3.0
129.07008	8.2
131.04936	92.4
131.08604	10.9
131.09380	1.8
133.10182	2.7
135.11707	6.2
137.13237	8.9
139.07561	2.3
141.07008	5.8
144.05751	9.6
145.06494	5.6
147.11809	2.1
149.06131	2.9
149.09651	2.8
151.07585	2.2
152.04620	3.4
153.05461	2.8
153.09085	2.7
156.05704	10.8
157.06445	4.1
158.07298	3.2
159.08046	12.7
159.11729	2.1
161.05956	5.1
161.09665	3.1
163.03920	4.1
163.11229	2.3
163.54265	2.2
165.06999	2.7
165.12796	3.4
167.03281	2.7
167.07059	82.5
169.06490	3.9
171.08066	2.1
172.95235	2.8
173.05981	4.4
177.05482	3.7
181.05022	12.0
181.06316	1.9
181.08607	5.0
184.05162	3.9
186.06779	4.2
187.07491	10.2
190.06235	3.3
190.07765	2.4
191.06949	3.8
195.06458	3.6
202.06210	4.7
204.07715	2.1
205.08601	16.1
207.06488	3.0
207.13745	2.2
208.05176	19.6
210.06752	2.9
217.08600	38.0
218.07275	5.0
219.08054	14.8
219.10220	6.7
220.08853	7.1
221.06004	7.0
221.07945	4.0
221.09827	2.4
229.08629	4.0
231.07977	5.9
231.10112	3.0
233.09714	5.2
234.06793	3.0
235.11174	2.3
236.04698	6.7
236.08310	4.8
238.06325	2.5
239.06964	2.6
243.13757	2.1
245.09604	3.0
246.06850	2.1
247.07477	14.4
247.09674	18.0
248.08311	14.7
249.05507	2.5
249.09129	4.8
250.06229	2.4
251.07285	2.0
251.10599	2.6
253.08853	2.0
254.05756	8.3
259.07599	3.9
261.09079	4.4
262.09793	4.4
263.07050	4.7
263.10626	10.2
264.07794	9.4
265.08670	6.5
267.06573	6.8
268.03714	3.7
269.08066	24.8
271.06250	2.2
271.09616	9.2
272.06787	6.3
275.06967	7.1
276.07745	9.9
277.08551	7.3
279.10211	6.8
280.10623	2.3
281.08344	1.8
282.05450	3.7
282.08911	12.3
285.07764	2.7
286.08649	2.1
287.09137	3.1
289.08438	2.3
290.09354	5.4
291.06885	3.3
291.10153	16.2
292.07291	5.6
293.08026	9.2
295.09576	2.0
299.09091	4.6
301.07245	4.5
305.08148	3.3
305.11572	2.3
306.08951	2.4
307.09659	9.6
308.10452	7.5
309.07635	2.6
310.08469	6.5
311.09387	2.1
311.13019	5.3
315.08643	88.6
315.12299	4.9
316.09244	2.9
318.09174	3.0
319.09726	8.8
321.07632	4.3
322.08215	2.5
322.12375	2.0
323.12769	12.8
325.10632	2.5
328.09402	7.1
330.10989	100.0
331.11728	12.8
336.09839	3.7
337.10779	5.8
339.12198	11.7
341.13980	3.0
343.11823	20.5
351.12308	27.6
352.13141	3.4
353.10068	8.1
356.12653	3.5
358.13742	3.0
368.12567	8.2
369.13391	5.2
371.14941	5.6
375.89850	2.4
383.14868	73.8
401.08853	5.7
401.16116	24.6
401.21030	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	401.1595
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.69463	1.6
51.80294	1.7
53.03955	2.4
55.05496	4.0
67.05502	3.2
69.03435	2.0
69.07058	2.0
70.25049	1.9
70.72725	6.0
71.04985	2.1
75.55235	1.8
78.04709	1.9
79.05497	15.8
81.07050	4.4
91.05453	9.3
93.07024	2.1
95.04984	5.4
95.08598	3.2
98.20831	2.5
103.05487	4.5
105.07041	3.9
107.04282	3.6
107.04954	34.4
107.08597	2.8
109.06485	2.7
115.05481	1.8
116.06235	2.9
117.07051	6.0
119.08585	3.0
121.06478	3.1
121.60421	2.0
123.04452	5.1
124.05223	6.5
125.05959	2.7
127.89685	2.0
128.06252	2.1
129.06993	3.1
131.04919	9.0
131.08588	8.2
132.05717	7.1
133.10112	3.1
135.04433	5.1
137.05959	2.5
141.06985	3.5
144.05679	8.6
145.06482	9.1
147.04437	2.2
147.07999	3.2
151.07574	1.8
152.04724	4.1
153.06998	3.4
156.05775	1.9
159.08061	11.3
161.05977	2.1
163.03917	13.3
167.07043	100.0
171.08069	1.9
175.07498	3.7
177.05472	2.6
179.07085	5.4
181.04961	4.7
181.06482	2.3
181.08617	3.8
182.07326	4.7
187.07599	14.3
190.06284	11.9
191.07158	2.0
193.06587	2.0
195.04985	2.1
195.06503	11.9
205.08591	73.2
206.07344	2.1
206.09244	3.1
207.06487	17.6
207.10208	5.4
208.05205	5.1
209.06078	3.7
209.08038	4.4
210.06686	10.3
211.07521	3.8
217.08607	6.9
218.07144	2.0
219.08031	7.4
219.10210	7.2
220.08940	2.1
221.06030	2.3
225.08707	1.9
231.07979	4.3
232.08878	3.2
233.09567	3.0
235.07515	2.5
235.09517	3.5
238.06230	7.1
239.07108	2.3
241.04936	2.2
241.73862	1.8
247.07584	6.2
247.09738	4.6
248.08270	12.5
249.05614	1.8
249.09079	4.4
250.06511	2.1
251.10678	2.6
254.05873	2.0
255.06522	6.3
256.07312	6.0
259.07422	2.1
261.09067	4.5
262.10049	2.5
263.07382	3.2
263.10681	9.4
264.07861	1.8
265.08545	4.5
266.05704	3.1
269.08176	6.8
271.09644	25.0
275.07104	3.3
276.07846	6.4
277.08505	3.7
279.10159	4.1
281.11835	1.8
282.08945	6.4
284.06894	5.5
285.07620	4.3
290.09476	3.3
291.07144	1.8
291.10031	9.0
293.08072	9.1
296.10431	2.9
299.09042	14.5
300.09973	2.2
301.07040	10.5
305.08185	2.3
307.09729	4.6
308.10385	7.3
309.07700	2.3
309.11295	2.8
310.08386	2.8
315.08432	10.8
316.09448	4.9
319.09653	3.6
321.07590	4.1
323.09149	3.0
323.12680	11.0
330.10934	8.3
331.11755	50.0
336.09985	4.4
337.10703	3.3
339.12204	3.9
341.13904	3.3
343.11798	6.9
351.12274	29.6
352.13104	3.2
353.09985	2.7
356.12964	2.1
357.13608	4.2
368.12680	5.4
369.13211	2.2
371.14926	2.9
373.16629	1.9
383.14886	24.2
401.15961	56.8
401.22119	3.4
401.23126	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69463	1.6
51.80294	1.7
53.03955	2.4
55.05496	4.0
67.05502	3.2
69.03435	2.0
69.07058	2.0
70.25049	1.9
70.72725	6.0
71.04985	2.1
75.55235	1.8
78.04709	1.9
79.05497	15.8
81.07050	4.4
91.05453	9.3
93.07024	2.1
95.04984	5.4
95.08598	3.2
98.20831	2.5
103.05487	4.5
105.07041	3.9
107.04282	3.6
107.04954	34.4
107.08597	2.8
109.06485	2.7
115.05481	1.8
116.06235	2.9
117.07051	6.0
119.08585	3.0
121.06478	3.1
121.60421	2.0
123.04452	5.1
124.05223	6.5
125.05959	2.7
127.89685	2.0
128.06252	2.1
129.06993	3.1
131.04919	9.0
131.08588	8.2
132.05717	7.1
133.10112	3.1
135.04433	5.1
137.05959	2.5
141.06985	3.5
144.05679	8.6
145.06482	9.1
147.04437	2.2
147.07999	3.2
151.07574	1.8
152.04724	4.1
153.06998	3.4
156.05775	1.9
159.08061	11.3
161.05977	2.1
163.03917	13.3
167.07043	100.0
171.08069	1.9
175.07498	3.7
177.05472	2.6
179.07085	5.4
181.04961	4.7
181.06482	2.3
181.08617	3.8
182.07326	4.7
187.07599	14.3
190.06284	11.9
191.07158	2.0
193.06587	2.0
195.04985	2.1
195.06503	11.9
205.08591	73.2
206.07344	2.1
206.09244	3.1
207.06487	17.6
207.10208	5.4
208.05205	5.1
209.06078	3.7
209.08038	4.4
210.06686	10.3
211.07521	3.8
217.08607	6.9
218.07144	2.0
219.08031	7.4
219.10210	7.2
220.08940	2.1
221.06030	2.3
225.08707	1.9
231.07979	4.3
232.08878	3.2
233.09567	3.0
235.07515	2.5
235.09517	3.5
238.06230	7.1
239.07108	2.3
241.04936	2.2
241.73862	1.8
247.07584	6.2
247.09738	4.6
248.08270	12.5
249.05614	1.8
249.09079	4.4
250.06511	2.1
251.10678	2.6
254.05873	2.0
255.06522	6.3
256.07312	6.0
259.07422	2.1
261.09067	4.5
262.10049	2.5
263.07382	3.2
263.10681	9.4
264.07861	1.8
265.08545	4.5
266.05704	3.1
269.08176	6.8
271.09644	25.0
275.07104	3.3
276.07846	6.4
277.08505	3.7
279.10159	4.1
281.11835	1.8
282.08945	6.4
284.06894	5.5
285.07620	4.3
290.09476	3.3
291.07144	1.8
291.10031	9.0
293.08072	9.1
296.10431	2.9
299.09042	14.5
300.09973	2.2
301.07040	10.5
305.08185	2.3
307.09729	4.6
308.10385	7.3
309.07700	2.3
309.11295	2.8
310.08386	2.8
315.08432	10.8
316.09448	4.9
319.09653	3.6
321.07590	4.1
323.09149	3.0
323.12680	11.0
330.10934	8.3
331.11755	50.0
336.09985	4.4
337.10703	3.3
339.12204	3.9
341.13904	3.3
343.11798	6.9
351.12274	29.6
352.13104	3.2
353.09985	2.7
356.12964	2.1
357.13608	4.2
368.12680	5.4
369.13211	2.2
371.14926	2.9
373.16629	1.9
383.14886	24.2
401.15961	56.8
401.22119	3.4
401.23126	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	401.1597
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03947	1.5
61.34486	1.1
67.05495	1.6
69.03439	1.2
70.66304	4.5
72.82110	1.1
78.04700	1.5
79.05496	10.6
81.07042	2.4
85.02911	1.5
91.05479	6.1
93.69247	1.2
95.04937	3.0
97.06523	2.2
97.13802	1.2
105.07014	3.2
107.04961	27.1
115.05428	3.5
117.07023	4.1
121.06521	1.5
123.04398	4.4
124.05202	3.5
125.05981	3.5
125.08720	1.3
127.03934	2.6
128.06139	2.2
129.07010	5.1
131.04927	2.4
131.08569	5.1
132.05750	1.4
137.06036	1.9
141.07005	3.0
144.05698	4.7
145.06470	4.7
147.04422	1.9
152.04697	3.2
153.05441	1.4
156.05704	9.1
157.06487	3.3
159.08086	14.1
161.05974	3.9
167.07051	84.3
168.07408	2.4
173.06020	5.1
174.06845	1.6
177.05498	1.8
179.07120	2.9
181.04964	5.5
181.08603	3.3
184.05180	1.7
186.06804	3.2
187.07503	7.2
190.06329	3.0
190.07826	2.3
191.07008	3.2
191.08464	2.4
193.06602	1.9
193.08586	2.2
195.06519	4.2
195.08092	1.7
202.06146	2.9
202.07817	2.9
203.08537	2.2
205.06732	2.7
205.08597	12.9
205.10272	1.7
206.07410	1.6
207.06494	5.0
208.05191	22.9
208.87975	1.5
209.05812	2.1
209.08099	1.5
210.06863	1.4
211.07535	1.8
217.08589	28.5
218.07297	3.1
219.08060	9.5
219.10197	4.5
220.08878	3.0
221.06018	6.3
221.07875	2.4
221.09787	2.1
229.08624	5.5
231.08054	9.2
231.10036	2.5
233.06021	2.3
233.09662	4.7
234.06532	2.3
235.07542	4.1
236.04716	7.4
236.08362	3.4
237.08974	1.6
238.06268	3.0
240.04239	3.0
245.09566	4.7
246.06862	2.0
247.07518	10.2
247.09689	19.7
248.08304	10.3
249.05518	3.3
249.09033	3.8
250.06143	1.7
251.10611	2.6
254.05693	9.0
255.06549	3.0
256.07425	1.6
259.07526	2.8
259.61243	1.4
260.08356	1.6
261.09085	4.6
262.06674	1.4
262.09937	5.7
263.06982	3.0
263.10687	8.1
264.05157	1.3
264.07773	7.1
265.08621	6.2
266.05554	1.3
267.06570	5.8
268.03799	2.1
268.07047	1.4
269.08124	25.2
271.09625	7.0
272.06870	5.4
275.06992	7.3
276.07825	5.8
277.08551	4.1
279.07254	1.7
279.10135	10.5
280.07370	1.7
280.10663	1.6
281.08109	2.4
282.05344	3.8
282.08862	11.5
284.06680	2.7
285.07809	1.9
287.09155	2.7
289.08716	1.9
290.09424	4.3
291.06946	1.9
291.10129	13.3
292.07260	4.8
292.10526	2.4
293.08014	7.0
294.09082	1.6
295.09546	1.8
296.10251	1.6
299.09067	5.4
300.06406	3.6
301.07108	3.3
305.08017	3.3
307.09625	11.1
308.10464	7.2
309.11133	1.8
310.08325	8.5
311.12738	2.6
314.08163	1.5
315.08618	85.1
316.09064	3.1
318.08963	2.1
319.09723	9.3
320.10345	1.9
321.07578	4.4
321.11172	2.4
323.09183	2.3
323.12695	15.5
325.10617	3.2
328.09488	5.5
330.10989	100.0
331.11630	13.3
336.10037	4.1
337.10806	6.0
338.07599	1.9
338.11432	1.7
339.12259	9.5
341.10168	2.0
343.11734	21.6
350.11737	1.9
351.12286	26.7
352.12979	5.8
353.10141	5.8
356.12680	2.2
368.12488	8.5
369.13287	4.6
371.14761	6.4
373.16550	2.6
383.14923	75.0
384.15695	2.3
401.11542	4.6
401.15933	25.4
401.20505	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
55.01869	3.3
55.05498	6.2
57.03442	2.5
58.26399	2.0
59.04976	2.5
60.15174	2.4
67.05492	5.3
69.03429	7.3
69.07063	5.0
69.37894	9.8
69.38325	11.0
71.01334	3.2
71.04990	16.5
73.02911	6.2
78.04711	2.2
79.05486	15.9
81.03420	20.5
81.07035	6.6
83.04982	33.7
85.02898	21.3
91.05479	8.8
93.07056	5.7
95.04958	15.9
97.02862	5.7
97.06539	2.8
99.04444	10.2
103.05445	3.0
103.45481	2.3
104.15980	2.1
105.88735	2.2
106.96055	2.7
107.04956	34.6
109.02844	3.2
109.06494	4.5
111.04444	38.3
115.05470	4.1
116.06217	2.6
121.06509	6.1
122.03723	2.2
123.04448	7.5
124.05206	6.9
125.05983	5.5
127.03938	16.0
128.06255	3.5
129.05490	4.0
129.06993	6.2
131.04942	3.7
131.08574	8.0
132.05684	4.8
133.06461	3.4
135.04445	5.2
137.05931	3.8
141.06998	3.8
142.87048	2.1
144.05704	7.1
145.06451	6.5
147.04419	4.1
147.08035	2.5
149.05991	5.0
150.87112	2.1
151.03951	3.4
151.11188	14.3
152.04677	3.6
153.05461	4.0
156.05736	6.9
157.04959	3.0
157.06432	3.1
159.08043	10.7
163.03851	11.8
167.07033	100.0
173.05977	3.5
175.07512	5.7
177.05396	3.5
179.07030	8.5
181.04965	5.3
181.06413	2.7
181.08614	7.0
182.07304	4.5
183.06425	3.9
183.07924	2.7
187.07530	14.5
190.06300	13.6
193.04951	5.2
193.08594	2.9
195.06519	10.8
205.06725	2.3
205.08586	68.2
206.09251	2.6
207.06436	17.8
207.08173	2.5
207.10153	4.8
208.05167	4.9
208.08881	3.2
209.06007	3.2
209.07935	4.7
210.06711	14.3
211.07535	5.8
217.08612	13.9
218.07294	4.4
219.08080	11.9
219.10208	7.1
220.08713	2.5
221.05984	4.6
229.08627	4.1
231.08127	6.5
231.10213	3.6
233.09644	5.1
235.07463	5.3
236.04668	4.3
236.08237	4.0
237.07510	7.2
238.06198	7.3
239.06967	3.4
239.09337	2.8
245.09528	3.5
247.07411	10.8
247.09665	7.9
248.08340	16.9
249.09128	4.5
255.06410	8.9
255.08611	5.0
257.10248	3.0
259.07440	5.3
262.09769	5.5
263.07214	3.5
263.10706	8.4
264.07840	5.5
265.08612	7.3
266.05731	4.5
267.06464	3.7
269.04523	2.5
269.08032	6.8
270.08908	2.8
271.09674	37.3
274.06409	3.2
275.06973	4.9
276.07764	9.1
277.08536	5.1
279.09973	5.4
281.07953	2.9
282.08859	4.4
283.05850	3.0
284.06787	5.0
290.09418	6.3
291.10065	15.6
292.07376	3.2
293.08124	13.8
296.10312	2.5
299.09140	14.2
301.06961	6.8
307.09637	7.7
308.10516	5.4
309.10892	3.7
310.08548	5.3
310.12079	3.3
315.08563	16.3
316.09430	7.5
319.09607	5.4
321.07626	3.4
323.12820	14.3
330.11011	18.0
331.11752	53.9
336.09875	6.2
337.10599	4.8
339.12158	6.6
341.13757	6.9
343.11966	10.9
351.12225	38.9
352.12906	3.6
353.10135	4.7
368.12463	7.3
373.16428	5.2
383.14865	36.1
401.15961	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18839	2.9
55.01863	5.3
55.05500	4.0
55.66375	2.3
67.05501	8.8
69.03408	13.2
69.07069	4.3
69.78848	2.3
71.58678	3.1
79.05505	19.3
81.03416	12.6
81.07056	31.0
83.04984	3.2
85.02900	23.3
86.09746	3.0
87.00846	6.0
91.05495	8.2
91.21526	2.6
93.07050	16.7
95.04970	9.5
95.08599	15.1
97.02920	6.4
103.05506	3.1
105.01872	5.1
105.07035	7.7
107.04958	28.8
107.08596	18.3
109.02886	6.9
109.06495	6.5
109.10164	11.9
115.03930	5.7
115.05443	4.6
119.08579	6.7
121.06503	4.8
121.10139	5.2
123.04444	8.1
124.05238	5.7
125.05988	4.7
127.03928	11.7
128.06236	4.6
129.07019	7.1
131.04907	4.3
131.08568	10.9
133.06473	4.2
135.08109	3.0
135.11682	13.2
137.05959	3.8
137.13246	8.5
141.06992	4.6
144.05699	7.5
145.04947	3.6
145.06471	5.1
145.10170	4.8
152.04700	3.0
153.12816	3.1
156.05710	10.9
157.06586	3.6
157.10219	3.4
159.08049	14.1
159.11716	2.6
165.12782	4.5
167.07040	84.8
173.06070	5.4
175.07561	4.3
179.06950	3.4
186.06825	3.8
187.07558	9.4
191.08553	3.0
202.06116	3.5
202.07835	3.2
204.07922	4.0
205.08559	13.3
207.06480	5.4
208.05234	21.0
208.08777	4.8
217.08624	36.7
218.07213	4.6
219.08070	11.3
219.10054	4.9
220.08879	5.2
221.05949	8.0
231.08032	7.3
231.10175	3.4
233.09653	4.2
235.07477	3.8
236.04747	11.8
240.04138	3.2
245.09637	3.6
247.07518	13.7
247.09735	20.5
248.08356	11.7
249.05528	4.1
254.05873	14.4
261.09183	6.3
261.14874	8.7
263.06894	3.7
263.10733	11.4
264.07907	8.0
265.08585	6.5
267.06552	7.9
268.03827	3.8
269.08090	24.3
271.09686	5.0
272.06738	5.0
275.07080	4.7
276.07892	6.7
277.08560	5.4
278.09619	2.9
279.10107	8.2
281.08066	4.3
282.05646	5.5
282.08875	14.5
285.07565	4.6
289.08981	3.5
290.09451	3.8
291.10080	15.6
292.07330	3.4
293.08072	11.6
299.09332	3.7
300.06265	4.9
301.07153	4.7
305.08109	4.0
307.09683	10.6
308.10526	5.0
309.07925	3.9
310.08426	7.0
315.08603	86.2
316.08875	4.0
318.08682	3.4
319.09796	7.7
321.07556	5.1
322.11847	3.9
323.12784	12.3
328.09497	4.4
330.10989	100.0
331.11749	14.2
332.66580	2.7
333.11124	2.8
335.09055	3.1
336.09885	7.0
337.10699	7.7
339.12369	9.0
343.11774	23.2
351.12241	26.5
353.10138	7.8
356.12482	3.8
365.16147	3.6
368.12585	10.2
371.15088	3.7
383.14825	66.0
401.16013	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.47226	2.3
53.03980	3.1
55.05511	3.7
67.05510	6.7
69.03394	3.5
69.07079	2.8
70.63015	8.4
71.05003	3.0
79.05498	18.8
81.03417	3.6
81.07059	6.5
83.04991	11.2
85.02894	2.9
90.90977	2.4
91.05475	11.2
93.07042	3.3
95.04980	8.1
95.08630	6.1
97.02933	4.8
101.53571	2.3
105.07050	3.9
107.04963	34.2
107.08601	4.3
109.02815	3.1
109.10148	3.5
111.04459	4.0
115.05469	4.1
117.07064	6.0
119.08598	5.4
121.06501	3.9
121.10143	3.4
123.04451	3.1
124.05225	8.0
125.05971	5.5
129.07027	4.2
131.04907	3.2
131.08598	9.1
132.05759	4.3
133.10136	4.6
135.04436	3.6
135.08150	2.6
135.11671	3.2
137.05922	3.2
141.07079	2.5
144.05708	7.7
145.06529	9.4
145.10117	4.3
147.04408	6.2
156.05765	5.8
157.10062	2.3
158.07381	2.6
158.59470	2.6
159.08081	13.2
159.69730	2.3
160.05244	3.2
161.05991	3.9
163.03931	15.7
163.07442	2.5
167.05644	5.3
167.07054	100.0
169.06451	3.8
175.07602	4.0
177.05510	2.8
179.07082	4.7
181.05002	8.6
181.08630	5.9
182.07309	5.7
187.07567	16.7
190.06229	13.9
191.06976	3.0
193.08595	4.5
195.06566	10.3
204.07811	3.5
205.06856	2.4
205.08606	68.8
207.06552	20.2
207.08296	4.6
207.10220	7.1
208.05261	6.1
209.05910	4.6
209.08107	6.4
210.06818	6.7
211.07658	7.5
217.06667	4.4
217.08389	13.2
218.07228	3.3
219.08131	6.7
219.10201	9.0
220.08876	4.8
221.05986	3.6
229.08592	3.0
231.08040	7.4
231.10158	4.5
233.09639	4.9
235.07547	4.1
238.06308	9.9
239.06981	3.1
246.06738	4.0
247.07535	9.5
247.09694	5.5
248.08357	17.2
254.05788	3.8
255.06569	6.9
256.07339	9.7
259.07550	2.9
261.09183	5.8
262.09885	3.7
263.07413	3.8
263.10681	10.2
263.84622	3.0
264.07809	5.3
265.08545	5.7
266.05719	3.2
267.06607	2.8
269.08072	6.9
271.09708	34.7
275.06937	5.0
276.07785	6.1
277.08633	7.0
279.10190	8.2
282.08994	7.4
284.06827	4.5
285.07635	6.8
289.08694	3.2
290.09399	5.9
291.10126	13.2
293.08075	9.8
299.09244	14.1
301.07123	6.4
307.09692	9.7
308.10397	7.4
309.11157	3.5
310.08398	3.9
315.08679	24.3
316.09381	7.1
319.09644	5.0
320.10385	2.9
321.07565	6.1
321.11102	3.8
323.09357	4.4
323.12759	17.1
330.10931	24.8
331.11804	48.6
336.09775	6.3
337.10757	6.6
339.12216	7.0
341.13699	5.5
343.11911	9.9
351.12323	43.8
352.12845	5.6
353.10318	7.3
357.13052	3.5
368.12613	9.1
371.15015	4.8
373.16400	4.4
383.14896	57.5
401.15976	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.3
53.04315	2.0
53.99839	2.1
55.01878	4.2
55.05506	8.4
57.03425	3.9
67.05509	5.2
69.03435	8.6
69.07058	6.2
69.60455	7.6
69.60878	8.8
71.01350	2.6
71.05001	10.4
73.02887	4.2
78.04713	2.1
79.05505	17.3
81.03429	16.1
81.07034	5.2
83.04989	29.1
85.02914	17.7
91.05476	9.8
93.07041	2.8
95.04977	15.0
95.75973	2.4
97.02887	4.8
97.06538	2.7
99.04448	3.7
102.71397	2.3
103.05441	2.6
105.07051	5.0
106.04145	2.8
107.04968	38.5
109.02885	2.7
109.06505	3.2
111.04452	32.6
113.02362	2.2
115.05431	3.6
116.06242	2.8
117.07019	5.5
119.08532	2.7
121.06500	3.7
123.04435	8.8
124.05238	6.1
125.06003	5.1
127.03922	8.8
129.05440	2.6
129.06995	4.9
131.04921	3.8
131.08586	8.7
132.05737	8.7
133.10176	2.4
135.04453	6.0
137.05965	5.4
141.06989	4.2
144.05704	7.3
145.06483	9.5
147.04427	3.9
147.07991	4.2
147.11668	2.5
149.06013	3.1
151.07600	3.2
151.11185	18.1
152.04678	8.0
153.05508	4.3
156.05714	4.8
157.06520	3.1
159.08089	14.2
161.05940	5.1
163.03926	9.6
163.07518	2.7
165.06998	3.1
167.07062	100.0
172.05209	2.2
175.07628	4.6
176.04532	2.4
177.05501	4.4
178.07800	3.9
179.07088	5.7
181.04984	6.6
181.06459	3.8
181.08626	4.6
182.07303	3.8
183.06573	3.5
187.07536	16.4
190.06216	11.6
191.07045	4.6
191.08647	3.1
193.08606	2.9
194.07330	3.5
195.06516	15.5
195.08095	5.1
196.05258	3.8
197.05966	2.6
203.06990	4.0
205.08612	77.9
207.06448	19.3
207.07997	3.1
207.10156	5.4
208.05183	5.2
209.06004	3.3
209.07997	5.0
210.06816	10.8
211.07556	5.7
217.06818	2.4
217.08566	10.6
218.07318	3.8
219.08066	8.8
219.10222	7.8
220.08893	6.2
221.05994	4.1
221.09685	3.2
223.07663	4.6
224.08345	5.1
225.05412	2.3
229.08537	3.3
231.08069	5.0
231.10126	3.9
232.08791	2.8
233.09685	3.3
235.07558	5.8
236.08405	3.8
238.06221	6.0
238.09981	3.7
239.07053	3.6
241.05029	3.6
245.09706	3.8
246.06822	2.4
247.07532	9.6
247.09680	7.1
248.08292	21.5
249.09061	6.9
251.07072	8.3
252.07939	5.0
255.06451	5.4
256.07306	6.0
259.07681	2.6
261.09189	4.8
262.09943	3.4
263.07004	8.1
263.10754	7.3
264.07892	6.5
265.08636	6.4
266.09399	4.0
267.10199	11.8
269.08096	6.5
271.09631	35.3
275.07117	6.7
276.07925	7.7
277.08548	8.2
278.09326	5.9
279.06644	5.9
279.10175	16.9
280.07336	4.9
280.10889	2.6
281.08286	2.8
281.11832	7.1
282.09061	4.8
283.09808	4.1
284.06754	5.4
290.09488	5.4
291.10095	12.3
292.07324	5.9
292.10977	3.7
293.08105	9.6
294.08795	4.9
295.09644	29.5
296.10544	3.5
299.09149	16.5
300.09903	2.5
301.07129	8.0
305.08102	2.8
307.09610	9.4
308.10394	11.0
309.07785	3.9
309.11151	28.4
310.08493	5.2
310.11981	36.7
311.09186	4.5
311.12671	5.1
315.08801	20.0
316.09460	6.9
319.09760	5.1
321.07504	5.6
323.12845	15.1
326.11560	4.7
330.11029	17.6
331.11801	50.6
336.09991	5.5
337.10815	5.2
339.12296	5.7
341.13843	76.3
343.11838	7.8
351.12280	35.6
352.12958	2.7
353.10132	4.1
367.10303	2.5
368.12598	5.2
369.13275	2.7
371.14883	4.6
383.14896	35.8
401.15976	54.6
401.21677	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.05511	4.6
57.03437	1.5
57.72804	1.6
67.05502	2.9
69.03429	4.9
69.07071	4.5
69.43150	12.5
74.32071	1.3
78.04709	1.4
79.05494	16.1
80.48820	1.4
81.03410	2.4
81.07064	9.8
83.04991	10.5
83.08640	2.2
85.02908	5.1
86.85892	1.3
91.05495	5.7
93.07063	6.8
95.04985	6.3
95.08614	5.5
97.02911	2.8
98.21474	2.8
103.05411	1.7
105.01889	1.4
105.07029	4.5
107.04961	26.5
107.08587	8.0
109.06512	1.9
109.10175	4.0
111.08090	2.7
115.05460	2.9
117.07031	3.9
118.78044	1.4
119.08605	4.2
121.06499	2.9
121.10151	3.4
122.03673	2.1
123.04398	3.7
123.11725	13.2
124.05244	5.9
125.06009	4.4
128.06212	2.1
129.06998	6.6
131.04951	3.0
131.08591	8.9
132.05685	1.7
133.06534	4.0
133.10123	2.5
135.11711	4.3
141.07001	3.8
144.05695	5.3
145.06482	5.2
145.10081	1.9
147.04401	2.3
147.11687	3.2
149.06026	2.1
152.04681	4.3
153.05415	1.6
153.12714	3.2
156.05675	10.6
157.06549	2.0
158.07358	1.7
159.04301	1.4
159.08057	11.4
161.05972	2.8
163.03940	3.9
165.12781	2.8
167.07054	89.3
169.06453	1.5
173.06029	4.6
174.06786	1.7
175.14778	1.5
177.05490	3.8
178.07915	1.5
179.07054	3.2
181.05003	3.3
181.06491	2.2
181.08412	1.8
183.08148	1.6
184.05199	3.1
186.06744	3.4
187.07603	9.2
187.09084	1.9
189.07135	1.7
190.07825	2.0
191.07053	3.8
191.08600	2.0
193.08525	3.0
194.07310	1.7
195.06549	3.2
201.09171	2.2
202.06258	5.3
202.07904	1.4
203.06914	1.6
203.08604	2.3
203.17990	2.9
205.06714	2.7
205.08556	14.2
205.10107	1.5
206.07303	1.6
207.06534	5.3
208.05235	19.9
208.08963	1.7
209.05923	2.1
209.07999	2.9
211.07582	2.3
215.06906	1.7
215.08727	2.2
217.08606	28.9
218.07344	3.2
219.08075	11.0
219.10205	5.6
220.08844	4.8
221.06007	3.9
221.19009	11.0
223.11049	1.7
224.04535	1.5
225.09268	1.4
226.06189	1.7
227.06917	2.0
229.08597	4.1
230.07265	2.1
231.08118	7.3
231.10143	2.1
232.08919	1.4
233.05986	2.4
233.09604	4.7
234.06853	2.2
235.07564	3.5
236.04659	9.8
236.08217	3.3
238.06271	1.5
239.07008	3.1
240.04222	3.2
245.09567	3.2
246.06758	2.6
247.07539	9.9
247.09717	19.1
248.08292	10.5
249.05554	2.0
249.09126	4.4
251.10674	2.7
254.05765	8.8
256.07629	1.5
257.04385	1.9
259.07483	3.9
260.08356	2.4
261.05594	1.8
261.09177	4.5
261.14804	3.0
262.10010	3.7
263.06873	2.6
263.10764	8.9
264.07748	6.6
265.08643	4.0
266.05789	2.5
267.06555	8.6
268.03696	3.0
269.08057	26.2
271.09680	6.5
272.06778	3.0
275.07123	6.9
275.09979	1.3
276.07730	8.1
277.08652	4.9
278.09219	2.8
279.10156	9.2
281.08203	2.8
282.05276	3.9
282.08896	14.7
284.07083	1.7
285.07632	2.4
289.08453	1.9
290.09430	4.2
291.06946	2.4
291.10120	13.5
292.07379	5.0
293.08148	9.5
294.08682	1.7
295.09579	2.6
299.09103	4.7
300.06174	1.8
300.09985	1.8
301.07132	3.8
304.07321	2.8
305.08047	3.6
305.11475	1.5
307.06302	3.1
307.09711	10.5
308.10480	4.4
309.07764	2.3
310.08389	6.0
311.12872	2.9
315.08649	80.8
316.09106	3.0
318.08820	1.6
319.09665	7.6
321.07877	2.8
321.11209	1.8
322.08459	2.6
322.11942	2.2
323.09241	2.8
323.12784	16.8
325.10739	2.7
327.12411	1.8
328.09537	3.6
330.10995	100.0
331.11633	11.7
336.09982	3.2
337.10535	7.2
338.11432	1.7
339.12277	10.7
340.13135	1.5
343.11783	17.4
351.12305	29.5
352.13022	4.1
353.10373	6.9
356.12576	3.3
368.12466	7.1
369.13376	5.1
371.14874	6.3
383.14890	64.7
384.15152	2.8
401.12009	2.6
401.16147	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	400.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
55.05508	2.2
57.03440	20.8
59.04990	4.1
60.04497	1.3
60.91462	1.3
61.02934	6.8
67.05513	1.9
69.03432	71.9
69.07040	1.4
70.06590	1.8
70.87160	4.0
71.04991	1.4
72.08166	1.4
73.02919	6.7
75.04483	2.4
75.07040	1.3
81.03429	5.5
81.07047	1.9
83.05002	2.4
85.02909	99.4
86.09686	2.0
87.04473	50.1
90.67340	1.1
91.03954	3.8
91.05485	3.1
95.04993	2.0
96.70401	1.4
97.02897	63.1
97.06545	1.1
99.04455	5.0
100.11260	2.0
103.03947	1.9
107.04981	2.8
109.02887	4.5
111.04465	3.0
115.03938	79.9
119.05024	1.6
120.08112	1.8
123.04481	1.4
127.03927	20.6
128.07072	1.7
133.04971	100.0
135.04420	1.8
145.04964	43.5
147.04399	6.2
150.07639	9.9
157.04980	1.2
163.06044	19.0
163.07413	2.1
170.38867	1.2
173.06012	1.5
175.06017	1.4
177.05396	1.9
181.04938	1.2
182.15450	2.9
183.15750	2.3
210.14990	2.8
211.15253	3.9
241.07028	3.0
251.14885	4.6
259.08194	5.2
277.09290	2.7
295.10269	5.0
330.10944	1.3
335.55615	1.2
338.21570	2.6
355.24008	2.4
383.14758	1.5
383.23694	1.7
385.04187	1.3
400.10123	1.9
400.16226	6.9
400.26041	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03437	21.5
59.05003	3.1
61.02916	5.2
62.06101	2.9
66.93524	1.8
69.03432	73.4
69.84122	5.9
69.84527	4.2
70.06597	4.4
71.04996	2.3
73.02928	12.7
75.04500	2.5
79.41174	1.7
81.03406	5.1
83.04990	4.1
85.02911	100.0
86.35835	1.7
87.04473	52.4
91.03946	3.3
91.05481	3.4
95.04961	1.9
95.08579	1.9
97.02895	61.3
99.04487	3.4
103.03967	3.5
107.04958	4.4
109.02882	7.2
111.04440	4.8
115.03936	72.0
115.04746	4.6
116.07124	2.3
118.04101	1.8
119.04917	3.3
121.10133	3.5
123.04438	3.0
127.03928	21.4
133.04974	82.5
135.04413	2.2
137.05972	2.4
139.03946	2.9
145.04977	39.2
145.06264	2.6
145.06448	3.6
147.04424	11.5
150.07614	7.6
163.03909	4.0
163.05994	22.5
180.06470	2.4
181.04886	2.4
183.15802	2.9
211.15176	2.9
251.14981	5.6
259.08170	5.1
277.09222	2.3
280.12851	2.1
295.10367	2.6
323.21997	2.1
338.21671	2.2
400.09653	2.3
400.16156	4.5
400.25867	2.5
401.15576	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03437	21.5
59.05003	3.1
61.02916	5.2
62.06101	2.9
66.93524	1.8
69.03432	73.4
69.84122	5.9
69.84527	4.2
70.06597	4.4
71.04996	2.3
73.02928	12.7
75.04500	2.5
79.41174	1.7
81.03406	5.1
83.04990	4.1
85.02911	100.0
86.35835	1.7
87.04473	52.4
91.03946	3.3
91.05481	3.4
95.04961	1.9
95.08579	1.9
97.02895	61.3
99.04487	3.4
103.03967	3.5
107.04958	4.4
109.02882	7.2
111.04440	4.8
115.03936	72.0
115.04746	4.6
116.07124	2.3
118.04101	1.8
119.04917	3.3
121.10133	3.5
123.04438	3.0
127.03928	21.4
133.04974	82.5
135.04413	2.2
137.05972	2.4
139.03946	2.9
145.04977	39.2
145.06264	2.6
145.06448	3.6
147.04424	11.5
150.07614	7.6
163.03909	4.0
163.05994	22.5
180.06470	2.4
181.04886	2.4
183.15802	2.9
211.15176	2.9
251.14981	5.6
259.08170	5.1
277.09222	2.3
280.12851	2.1
295.10367	2.6
323.21997	2.1
338.21671	2.2
400.09653	2.3
400.16156	4.5
400.25867	2.5
401.15576	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01870	0.2
55.05505	0.1
56.62552	0.1
56.70030	0.1
67.05494	0.3
69.03434	0.5
69.07085	0.2
70.06589	0.2
71.04971	0.1
71.08625	0.1
71.58337	0.2
79.05486	0.2
81.03423	0.7
81.07049	0.4
82.92423	0.1
83.05014	0.2
85.02914	0.9
85.21326	0.1
86.09693	0.1
87.00827	0.4
91.05477	4.9
93.07043	0.4
95.08592	0.4
97.02882	0.5
99.04436	0.2
105.01861	0.3
105.07030	0.2
107.04958	0.2
107.08588	0.4
108.04497	0.2
109.02866	0.3
109.10155	0.6
114.17741	0.1
115.05457	12.0
116.06303	0.1
117.07015	100.0
118.07342	1.3
119.08582	0.3
121.10161	0.1
123.04401	0.2
126.02463	0.2
126.05555	0.1
127.03948	0.6
131.04994	0.1
132.10194	0.1
132.14397	0.1
135.08041	0.1
135.11742	0.2
141.04829	0.7
144.98094	0.1
145.04962	0.2
153.01880	0.1
153.12744	0.2
159.02872	0.2
159.08147	0.1
159.11700	0.1
161.05991	0.1
167.07043	1.8
248.07477	0.1
249.70517	0.1
261.14523	0.1
297.16266	0.5
356.08310	0.2
356.23627	0.5
383.15005	0.1
400.10330	0.2
400.15070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12362	9.1
54.78892	8.1
55.05516	69.7
58.54247	9.0
67.05507	12.9
69.07058	10.3
70.80337	20.7
70.80701	17.0
74.69744	8.0
81.07059	16.8
81.07539	9.5
83.04998	87.1
91.05482	24.2
93.07055	11.9
95.04948	9.8
95.08604	33.3
96.33775	9.4
105.07047	32.2
107.08627	11.5
117.07079	10.1
119.08596	92.7
131.08600	15.2
133.10138	38.1
145.10165	24.1
147.11697	18.8
155.08644	11.6
159.11722	18.5
161.13297	21.6
173.13281	14.8
183.11751	15.8
197.13249	13.6
253.19495	24.5
291.79089	11.9
299.20087	100.0
308.01541	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	399.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.05515	48.6
56.36299	2.1
56.96561	4.1
57.07066	4.7
61.29667	2.3
66.00949	2.2
67.05494	8.2
69.07056	2.7
71.00628	6.2
71.08622	4.5
79.05499	6.3
79.08702	2.3
81.07055	10.1
83.04984	100.0
85.10180	4.1
91.05488	13.6
93.07043	9.2
93.20787	2.2
95.04979	4.4
95.08598	13.8
96.81712	2.3
97.06539	2.8
101.05991	3.5
102.33308	2.3
105.07024	16.5
107.08592	10.6
109.10155	9.7
111.04420	7.0
117.07034	4.2
119.08591	67.7
121.10158	8.7
130.88931	2.1
131.08577	6.7
133.10141	15.3
135.07961	2.4
135.11731	3.3
135.65315	2.1
141.06952	2.8
142.47256	2.3
143.08578	4.4
145.10130	10.1
147.06532	4.9
147.11671	11.1
155.08566	4.6
157.10129	7.0
159.11742	13.9
161.13254	2.9
169.10127	5.3
170.10844	3.3
171.11720	3.4
173.13283	5.5
175.07568	2.7
183.11736	7.2
185.13277	7.2
187.14830	3.8
189.16330	2.9
197.13295	6.2
199.14798	3.9
211.11252	2.7
211.14870	3.3
239.17844	3.0
248.67172	2.5
249.58983	2.3
253.19514	9.3
281.19116	4.1
299.20026	22.5
300.74832	2.9
399.25360	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	399.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	42.2
59.75760	9.5
62.27575	12.0
63.95109	9.3
64.32851	10.7
65.27286	9.5
67.05499	17.1
69.98337	60.3
79.05511	15.2
81.07047	16.9
83.04966	56.2
84.16010	10.8
91.05466	21.7
95.08597	35.5
105.07031	37.2
107.08609	20.6
111.04485	12.2
119.08582	100.0
131.08501	22.2
133.10133	37.0
145.10132	21.8
147.11679	26.3
159.11726	22.9
161.13261	28.1
169.10123	14.7
171.11725	20.4
179.10576	10.8
192.12941	11.1
197.13391	16.4
201.07568	11.8
289.56491	15.2
291.06488	11.8
299.20078	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.2
67.05511	18.7
70.32742	21.5
71.03284	5.0
72.53288	5.8
76.44609	5.1
77.25429	5.7
79.05472	7.5
81.07063	11.7
83.04997	36.1
91.05485	21.0
93.07038	19.7
95.08597	47.5
101.06030	6.2
105.07030	40.9
107.08589	12.6
109.10150	15.6
111.04440	18.3
111.08782	6.1
119.08601	100.0
121.10160	13.2
131.08569	16.5
131.52917	5.3
133.10132	50.2
135.11659	7.6
136.15944	5.4
145.10133	23.1
147.11697	18.9
157.10237	14.2
159.11713	25.4
161.09601	5.5
161.13275	19.2
169.10135	10.5
171.11763	11.7
173.13274	10.5
179.10703	7.4
183.11696	14.3
185.13184	7.6
189.16414	11.8
190.76067	6.3
197.13272	15.4
199.11154	9.9
201.16411	14.3
205.12120	8.0
211.14818	12.7
213.12825	5.1
229.12131	7.4
253.19598	13.5
281.19080	11.8
299.20123	68.7
399.30933	9.8
423.56323	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	399.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49785	5.4
53.55534	4.9
54.60839	5.3
55.05511	42.6
67.05509	16.5
68.40155	5.5
69.07073	8.1
70.21120	14.2
70.21516	10.7
71.08620	7.8
79.05484	10.9
81.07064	22.4
83.04972	61.9
88.08704	4.8
88.36767	5.4
91.05488	18.9
93.07060	17.5
95.08609	42.2
105.07036	48.8
107.08591	20.0
109.10209	8.6
109.25147	5.8
111.04457	14.9
117.07027	6.6
119.08569	100.0
121.10170	10.9
129.07024	6.9
133.10124	63.1
143.08562	6.2
145.10150	33.0
147.11676	14.3
147.23532	5.9
156.09338	5.1
157.10135	11.7
159.11694	34.8
161.13295	22.1
169.10081	9.2
171.11682	10.3
173.13242	8.1
175.14748	5.7
183.11703	8.5
185.13310	6.7
197.13275	16.6
201.16443	9.7
211.14885	11.2
219.13997	8.0
229.12196	7.5
239.18109	5.8
243.13782	14.0
253.19467	12.1
266.64206	6.1
281.18933	11.0
299.20090	90.8
399.30832	74.2
418.60443	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34510	5.7
53.55719	4.9
55.05514	27.1
59.25125	5.0
65.30673	4.3
67.05505	14.6
69.07062	5.7
71.18298	9.6
71.18621	4.3
73.58596	3.8
78.40163	5.4
79.05484	10.7
80.68163	4.2
81.07057	15.3
83.04993	36.2
91.05495	16.3
93.07063	14.0
95.08609	37.2
96.84688	3.9
101.06039	11.4
105.07040	42.6
107.08593	17.8
107.56992	4.6
109.10140	15.3
111.04459	14.0
117.07002	8.9
119.08585	100.0
121.06540	4.5
121.10184	8.8
127.09045	4.6
131.08577	12.8
133.10130	48.9
143.08569	7.8
145.10126	24.0
147.11743	23.1
155.08473	5.4
157.10133	12.6
159.11693	27.4
161.13313	16.2
169.10106	9.9
170.11009	5.9
171.11694	11.1
173.13261	13.8
183.11679	16.1
185.13202	12.0
187.11130	6.7
189.16380	8.7
197.13304	14.1
211.14919	5.2
229.12323	5.4
239.14336	4.9
253.19624	14.1
281.19064	12.9
299.20114	76.4
399.30875	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.05519	53.3
56.96548	7.2
57.07045	3.3
67.05504	9.6
69.07061	5.2
70.23569	11.4
71.08606	3.8
79.05510	5.3
81.07046	13.2
83.04990	100.0
83.08611	4.2
91.05486	17.4
93.07033	7.2
95.04996	5.9
95.08601	12.5
97.06518	5.0
98.20788	3.9
105.07037	18.9
107.08598	10.7
109.10155	9.1
111.04417	10.0
117.07054	8.2
119.08587	79.5
121.10139	6.5
129.05461	3.9
129.07019	6.6
131.04837	3.1
131.08527	8.2
133.10146	17.6
137.05923	5.0
142.07822	3.9
143.08559	5.4
145.10139	13.2
147.06520	7.8
147.11668	9.8
151.07558	9.3
157.06499	11.6
157.10104	5.1
159.11659	15.0
160.05267	4.8
161.13280	3.9
163.07489	4.1
169.10126	6.7
171.11682	5.6
173.13380	5.3
175.07573	18.0
183.11615	6.9
185.13144	3.6
187.11195	3.3
187.14807	4.7
197.13264	7.5
199.14862	4.2
201.16313	3.7
213.05493	19.9
253.19563	11.6
281.19006	8.8
299.20181	24.0
307.13318	4.5
308.13916	3.6
311.12769	13.7
339.15881	11.7
399.12137	16.8
399.17880	10.9
399.25418	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	399.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.9
57.07073	2.4
66.94968	1.5
67.05511	24.2
69.03437	2.8
69.07061	6.8
70.17754	1.6
71.08622	2.5
77.78163	1.5
78.69644	1.5
79.05491	7.0
81.07040	10.9
83.04983	39.3
83.08623	2.9
91.04984	1.7
91.05460	11.1
91.14557	1.9
93.07048	9.2
95.04971	11.9
95.08614	13.2
95.65797	1.7
97.06541	4.2
101.06013	3.1
105.07036	15.0
107.08599	17.2
109.06509	2.6
109.10159	100.0
111.04467	2.4
111.08104	2.0
115.05508	1.6
116.31867	1.8
117.07011	3.7
119.08592	30.4
121.06490	4.2
121.10117	8.5
123.08098	4.6
123.11755	4.3
125.06010	2.0
128.06230	2.3
129.06953	2.6
131.08551	6.4
133.10127	16.9
135.08069	8.1
135.11725	3.8
137.09644	2.1
142.07813	2.3
143.08568	5.4
145.06570	1.8
145.10114	11.5
147.08032	4.0
147.10672	1.9
147.11659	9.5
149.09669	4.1
155.08594	3.3
156.09387	4.3
157.10149	6.8
159.08092	5.9
159.11684	17.1
161.09641	7.1
161.13232	9.9
163.11153	2.4
169.10150	7.2
171.11691	6.6
173.09590	5.7
173.13235	9.1
175.07620	2.2
175.11140	8.3
177.12764	1.9
183.11731	9.1
185.13278	6.8
187.11182	8.4
187.14864	8.6
189.12732	5.7
191.10657	4.7
195.11758	3.6
197.13251	15.2
199.14810	5.7
201.12816	5.3
201.16455	2.7
203.10628	3.7
203.14336	2.5
211.11311	2.1
211.14867	4.4
213.16344	2.6
215.10648	3.4
215.14244	3.5
217.12170	2.4
224.15620	2.0
229.12267	7.8
229.19548	5.8
237.16235	3.2
239.17952	17.0
243.13907	2.4
253.19617	6.4
257.15524	2.4
257.15967	2.7
257.19025	29.6
271.20575	11.4
281.19025	4.9
299.20068	73.2
357.24234	2.7
399.25363	32.6
399.31348	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	399.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.05514	62.8
56.96565	3.1
57.07077	3.1
60.04533	2.6
62.20832	2.5
62.22217	2.1
67.05507	8.0
69.07101	3.2
69.59566	19.9
75.37045	2.3
79.05495	5.8
81.07066	9.8
83.04988	100.0
83.08624	2.4
91.05482	13.3
93.07056	9.3
93.20818	2.5
95.08611	13.3
105.07030	18.4
107.08592	14.3
109.10169	9.1
110.10487	2.6
111.04423	5.6
117.07035	5.8
119.08591	76.9
121.10151	5.7
123.11758	4.2
125.05978	3.4
131.08592	7.1
133.10138	17.6
135.11716	3.1
143.08524	4.9
145.10161	12.8
147.11732	11.5
148.45135	2.5
149.09393	2.4
155.08521	2.7
157.10152	6.4
159.11729	12.2
161.13312	3.4
169.10159	5.1
171.11736	7.6
173.09715	2.3
173.13303	4.8
183.11748	8.5
185.13306	7.8
187.11269	4.0
187.14871	3.6
189.16400	3.8
197.13293	7.6
199.14973	2.6
211.14851	6.1
212.95270	3.1
212.97287	2.5
215.10570	3.3
229.11983	3.3
239.18030	4.7
253.19550	9.0
257.14954	2.9
281.19141	3.6
299.20105	23.9
399.25369	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	399.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	44.4
57.23365	8.5
59.96956	10.4
62.21193	8.8
62.36500	10.4
66.02020	9.5
67.05503	11.5
69.07053	17.9
69.33776	11.5
69.41624	100.0
79.84283	8.9
81.07048	25.8
83.04990	92.4
91.05507	13.4
93.07032	19.3
94.29633	9.6
95.08591	34.1
105.07048	31.9
109.10150	18.1
119.08582	88.4
121.10151	13.9
133.10121	47.4
135.11684	12.0
145.10126	26.6
147.11716	18.1
157.10164	12.8
159.11659	19.6
161.13235	21.2
173.13319	13.3
205.12169	12.9
276.58203	12.1
299.19995	72.2
399.25824	19.5
399.30725	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36332	2.7
55.05513	50.9
56.10068	2.8
57.07084	4.1
61.49849	3.0
67.05502	9.3
69.07075	6.2
69.59518	23.7
71.08630	3.8
79.05504	5.2
81.07047	8.9
83.04981	100.0
85.02888	5.0
89.09794	2.9
91.05492	13.5
92.75671	3.1
93.07022	6.1
95.04974	5.2
95.08614	12.0
105.07026	12.8
107.08609	7.9
109.10188	6.3
111.04433	5.9
117.07001	6.6
119.08581	63.2
121.10188	6.1
131.08543	5.9
133.10095	15.7
135.11708	3.0
137.05968	6.5
140.83235	2.6
142.07838	3.0
143.08618	3.2
145.10152	8.8
147.11661	6.6
155.08643	2.7
157.10150	8.0
159.11673	11.5
162.26140	2.8
169.10117	4.0
171.11691	3.6
183.11705	5.8
185.13174	3.3
187.11325	3.1
187.14685	3.9
197.13216	7.3
199.14842	4.2
229.12257	3.8
237.16245	3.9
239.17928	3.9
241.64423	3.5
253.19560	7.9
253.92189	3.1
267.09149	2.9
281.19089	5.4
285.10114	4.8
299.20169	20.6
313.03513	4.1
399.10602	18.4
399.25153	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	399.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05274	3.8
55.05513	67.2
56.96552	4.0
57.07066	3.6
62.76899	3.7
67.05491	14.6
69.07064	7.3
69.90102	26.2
71.08616	4.1
81.07068	19.7
83.04984	100.0
83.08605	5.4
91.05466	11.3
93.07034	9.0
95.08625	22.8
98.20747	4.6
101.06012	4.1
103.84970	4.4
105.07005	17.9
107.08590	10.5
109.10175	11.5
111.04417	8.6
119.08581	53.2
121.10117	8.1
131.08582	7.2
133.10130	18.1
135.11687	3.5
138.96501	3.8
143.08586	7.5
145.10126	11.2
147.06473	5.2
147.11662	11.5
157.10098	4.5
159.11658	9.7
161.13239	12.0
171.11748	5.8
183.11777	8.3
183.67258	3.6
185.13264	5.9
187.14876	4.5
199.14896	5.1
229.07542	8.3
247.08589	8.2
253.19627	8.0
281.19016	8.4
299.16989	5.1
299.20120	44.1
345.36743	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	399.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76358	11.0
55.05508	67.4
57.03430	16.5
57.07054	24.3
58.35979	11.2
67.05491	50.2
69.03410	23.6
69.07046	20.6
71.04984	13.1
71.08627	29.4
71.60076	19.1
79.05489	26.9
81.07040	38.5
83.04982	100.0
85.06506	11.8
85.10162	15.7
91.05471	37.5
93.07035	32.3
95.04967	23.0
95.08591	55.8
97.10118	14.1
101.06020	22.8
105.06999	51.0
107.04919	14.8
107.08574	21.0
109.10146	71.3
111.04416	32.3
119.08572	96.5
121.06453	17.5
121.10171	36.4
123.11713	12.2
131.08531	18.4
132.69957	13.2
133.10135	40.2
143.08572	29.9
145.10117	41.7
147.06552	16.6
147.11646	17.7
157.10109	22.2
159.11702	35.4
159.35370	11.7
161.13200	21.1
163.03903	34.9
173.13261	23.5
175.11082	12.7
179.07042	13.1
181.04895	19.4
183.11676	23.3
187.14763	15.9
197.13295	13.4
239.17880	17.0
253.19379	16.8
260.41266	12.9
299.20062	84.5
310.62201	13.3
325.37213	13.8
335.09030	13.6
377.28589	13.3
381.10553	14.8
399.25116	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	399.199
Annotation	Lys Asp His
Peak:m/z	Relative Intensity
53.03946	0.7
55.05511	0.8
57.03418	0.5
67.05505	0.5
69.07079	0.5
69.68558	2.7
77.00904	0.5
79.05495	0.9
81.03417	0.5
81.07059	0.9
86.07240	0.4
90.77352	0.5
91.05476	0.8
93.07029	0.5
93.15388	0.4
93.96989	0.4
97.02865	0.5
97.06531	1.2
98.20734	0.5
119.08549	0.6
119.71817	0.5
123.11656	0.4
153.01828	1.4
181.04994	0.6
186.02850	0.4
217.05049	0.7
227.07176	0.4
229.04982	0.7
237.13173	2.1
243.14391	0.4
245.04424	0.6
255.14511	2.8
273.03928	0.9
273.15372	0.6
285.04123	0.7
299.05566	0.6
301.03436	1.7
303.05188	1.3
313.03354	3.2
355.08145	2.7
356.08026	0.5
399.10852	11.6
399.19885	100.0
400.11044	1.2
400.20020	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	399.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61013	6.8
55.05512	70.8
59.86139	9.6
67.05508	38.2
69.07047	18.5
71.08624	17.0
71.59174	11.9
74.53486	6.7
75.78104	8.2
79.05498	19.6
81.07051	37.1
83.04981	100.0
83.08611	11.2
91.05470	27.6
92.50089	7.7
93.07037	34.5
95.04960	13.4
95.08602	53.5
101.06026	12.7
105.07014	52.9
107.08589	36.8
109.06465	10.5
109.10177	23.7
111.04406	23.7
111.08080	8.3
119.08569	97.1
121.10136	11.1
123.08077	8.5
123.11713	7.9
129.05521	15.9
131.08557	14.2
133.10112	50.3
134.03783	7.9
143.08536	17.5
145.10126	26.3
147.11673	31.7
157.10124	14.5
159.11711	24.2
161.13237	20.9
167.08470	7.7
169.10165	17.3
171.11714	17.1
173.13290	20.3
183.11732	12.7
185.13251	17.8
187.14796	16.3
189.16350	16.3
197.09602	8.1
197.13216	16.9
199.14859	10.6
201.16379	9.4
239.14215	9.0
239.17880	9.3
257.15359	9.1
299.20102	76.8
390.39145	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	399.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.9
56.96527	1.3
57.07058	1.4
61.30844	1.3
69.74866	1.3
70.08545	7.3
83.04986	14.1
89.26514	1.4
91.05481	9.2
95.08622	2.1
102.04660	1.9
103.05473	5.3
105.07032	5.8
107.04961	13.7
107.08585	2.0
115.05451	6.6
117.07004	4.4
119.08591	10.8
121.06534	3.5
128.06218	1.4
129.07028	2.7
130.04135	2.2
131.04936	10.6
132.05719	3.6
133.06525	3.5
133.10185	2.1
135.08069	3.2
136.05177	9.3
137.05980	14.4
141.06966	4.3
145.06491	4.9
145.10173	2.4
146.07271	1.8
147.07956	1.9
151.07552	38.4
153.91905	1.3
155.08580	1.6
158.07234	1.9
159.11719	1.5
160.05200	33.4
161.05978	4.8
163.07553	32.4
165.09122	5.0
169.06528	7.3
169.10191	2.2
171.44154	1.4
173.09599	5.6
173.11011	1.4
175.07553	100.0
176.08246	6.3
177.07834	1.5
177.09106	8.2
187.07532	1.7
188.08325	3.0
189.09081	1.5
191.07138	1.9
191.08669	2.0
195.08046	1.4
201.09119	17.8
202.48679	1.6
203.08652	2.4
205.10245	2.4
207.08031	3.6
208.08887	4.6
209.09592	4.5
217.10130	2.6
219.08038	5.2
221.06076	2.5
221.09663	5.8
223.07578	3.1
225.09018	3.1
231.08029	3.1
232.08894	3.3
233.09589	7.1
234.06882	1.7
234.10257	1.7
235.07539	4.3
235.11313	2.0
236.08316	5.5
237.09093	4.9
238.09859	1.9
239.10690	1.8
247.07613	1.8
247.11227	3.6
248.08188	5.0
248.11969	11.2
249.09138	9.7
250.09959	3.2
251.07104	2.2
251.10689	6.1
252.11433	3.5
253.08601	5.0
253.19522	1.6
261.09094	9.6
261.11096	1.8
263.10635	3.9
264.07895	4.9
264.11444	6.5
265.08585	10.5
265.12186	5.0
266.09354	3.4
267.10193	5.7
268.10971	3.5
275.10629	4.0
276.11505	7.5
277.08746	4.0
277.12091	1.9
278.09464	3.3
279.10184	19.5
279.13770	12.5
280.10916	12.3
280.13980	2.3
281.08093	4.9
281.11630	4.9
283.09692	6.2
283.12955	1.6
292.11047	7.3
293.11652	12.9
295.09647	6.3
296.10352	5.6
298.12036	5.9
299.20016	2.4
307.13303	33.3
308.14001	14.6
309.11179	7.0
310.11975	1.9
311.12833	71.2
311.16428	10.1
312.13123	4.0
324.13583	5.1
325.14334	2.1
327.12366	3.6
339.15909	69.4
340.16293	2.5
342.14609	13.2
356.16150	5.9
357.16953	6.8
368.16251	5.1
399.18005	54.0
400.18643	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	399.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71218	1.4
53.03945	7.8
55.01865	2.9
55.05505	7.0
56.96559	3.5
57.03431	4.3
57.07070	4.1
59.04991	3.5
61.02925	4.2
67.05510	17.0
68.99782	2.4
69.03075	2.9
69.03427	36.2
69.07063	7.2
69.58864	6.8
69.59289	5.4
70.06599	12.6
70.06931	2.1
71.04984	6.1
71.08628	2.7
72.08157	2.7
73.02908	4.9
79.05492	8.2
81.03422	24.1
81.07063	26.8
83.05003	9.0
85.02914	30.1
85.06543	1.9
85.10165	2.3
85.51012	1.4
86.09717	8.1
87.00836	8.2
91.05478	13.4
93.07043	15.1
95.04964	7.0
95.06142	1.6
95.08618	6.3
97.02908	19.1
97.06548	2.0
98.97569	3.0
99.04465	15.4
101.06028	2.5
105.01869	6.0
105.07011	14.7
106.06578	1.9
107.04967	2.0
107.08601	27.7
109.02876	13.7
109.06535	9.5
109.10159	100.0
110.07201	2.3
110.10490	1.8
111.04456	3.8
111.07999	1.5
112.19067	1.4
115.03944	2.9
116.07085	2.0
117.06972	2.7
119.08578	6.0
121.06542	2.1
121.10162	4.0
123.04521	2.0
123.08043	3.8
123.11707	27.4
125.07105	2.1
125.09635	6.9
127.03921	28.1
129.01852	1.8
129.05472	3.2
131.08600	4.5
133.04973	2.1
133.10135	20.5
134.06012	13.2
135.11685	2.8
136.06209	2.0
136.08710	4.7
137.06046	2.0
137.09590	2.1
140.05969	1.6
145.02779	2.2
145.04948	9.9
145.06487	2.2
145.10126	4.5
147.04430	1.8
147.06519	3.1
147.07707	2.6
149.09631	3.4
151.11189	51.2
152.07118	3.0
159.02859	3.4
159.11769	2.6
161.06020	2.7
161.09532	1.7
163.03870	1.9
163.11153	2.0
165.93404	1.5
169.12196	2.4
173.09323	5.1
175.11172	2.0
175.87090	1.6
177.05478	4.1
182.09251	3.9
187.06033	4.3
197.11684	7.4
202.11597	3.6
213.03932	19.4
231.04988	25.0
250.09329	1.9
261.10059	2.2
288.42426	1.7
297.14563	4.4
299.20044	2.2
355.17514	5.0
381.11108	2.7
381.15469	22.8
396.15302	1.5
399.16135	11.8
399.20901	3.0
400.20850	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	399.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01875	1.4
55.05496	2.2
56.05040	0.8
56.96559	1.0
57.03219	0.7
57.03434	6.5
59.04986	0.7
61.02931	3.8
66.02484	0.6
67.05491	0.9
69.03082	0.8
69.03428	12.0
69.66164	2.1
69.66595	2.7
70.06596	3.8
71.04983	2.2
71.08598	0.8
72.08144	1.7
73.02899	2.4
75.04475	1.6
77.03963	0.6
81.03412	7.4
81.07043	2.7
83.04987	1.8
85.02905	27.4
86.09698	2.2
87.04465	2.1
91.05479	1.7
93.07031	1.9
95.04964	1.3
95.08626	1.3
97.02266	1.2
97.02885	11.2
98.21507	0.8
99.04485	3.4
102.04668	0.8
103.03954	2.9
103.05467	40.5
105.01856	1.5
105.03342	0.8
105.07037	2.0
107.04975	0.7
107.08593	1.0
109.02867	5.1
109.06562	0.8
109.10145	2.9
110.07130	0.8
111.04426	1.4
116.07106	0.8
117.05493	1.6
119.08564	1.4
121.06477	0.8
123.11689	0.8
127.03933	10.4
128.06192	0.8
129.05518	0.9
130.04195	1.0
131.04927	100.0
132.04451	4.3
132.05292	1.1
133.04819	4.0
133.06476	1.0
133.10120	0.9
135.08127	0.8
136.06203	1.3
137.05937	1.2
145.02966	0.9
145.04950	3.8
145.06471	0.9
147.04385	1.6
147.06525	1.5
148.05185	10.9
151.11182	1.2
158.44940	0.8
161.05977	4.6
162.06827	0.9
163.07541	51.1
175.07556	1.5
177.05438	0.9
201.03461	0.7
201.09109	2.2
219.10283	1.0
231.04999	0.9
237.02812	0.8
237.11241	2.8
253.90428	0.7
399.16058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.9
55.01844	4.6
55.05514	5.3
57.03434	7.2
57.07051	2.3
59.04978	4.0
61.02905	4.2
65.03922	1.6
67.05505	9.9
68.99796	6.1
69.03429	30.1
69.07047	3.5
69.34081	11.7
71.01347	2.6
71.04994	10.1
71.08598	1.2
73.02888	4.2
78.88419	1.0
79.05494	10.3
81.02982	1.5
81.03417	20.8
81.07059	30.1
83.04977	5.3
83.13654	1.0
85.02905	41.2
85.06514	1.8
86.36752	1.1
87.00829	12.4
87.04435	1.9
91.05469	10.5
93.07042	14.9
95.04965	9.2
95.08601	9.9
97.02378	1.2
97.02893	15.4
97.06504	4.0
99.04461	6.7
101.02355	2.3
103.03938	7.1
105.01846	4.8
105.07027	14.3
107.04903	3.9
107.08600	14.9
109.02873	16.8
109.06510	14.8
109.10178	8.1
111.04417	4.7
111.08073	1.5
113.02376	1.3
115.03907	2.9
117.06997	2.9
119.01884	3.2
119.04918	1.2
119.08581	9.0
121.06512	7.2
121.10113	8.0
122.07253	1.5
123.04428	5.3
123.08051	5.3
123.11709	28.2
125.02339	4.1
125.05933	1.7
125.09572	3.9
127.03910	18.7
128.06210	1.6
129.01840	6.4
131.01869	1.7
131.08588	6.0
133.06500	2.9
133.10115	11.1
135.08047	12.2
135.11641	3.2
136.08763	3.2
137.05966	2.7
137.09612	22.4
139.03899	1.6
142.07748	1.5
143.08469	2.3
145.04883	2.4
145.06473	1.5
145.10132	6.5
147.02817	2.1
147.08008	3.9
147.11687	5.9
149.05971	2.6
149.09619	14.3
150.10379	11.5
151.07484	1.6
151.09950	2.1
151.11179	41.0
153.09071	2.1
156.09340	1.5
157.06473	1.2
157.10088	2.8
158.07262	1.4
159.02879	3.0
159.08054	1.7
159.11661	3.0
161.09576	4.9
163.07506	2.8
163.11171	14.9
165.09079	1.7
167.06981	2.4
171.02798	1.8
171.08002	2.6
173.09575	4.8
175.07541	2.5
175.11177	9.0
177.09036	1.7
179.10641	2.6
181.04909	1.6
183.11807	1.5
185.71799	1.2
187.11186	2.9
189.03894	2.6
189.09079	2.5
191.10555	2.9
192.11465	2.6
193.12242	34.7
199.11305	1.0
201.09007	2.2
203.10649	1.2
205.12239	2.0
209.11740	1.0
213.12732	1.4
217.12198	4.1
221.05026	4.4
221.11685	1.1
223.13304	17.4
231.05063	1.5
231.13817	1.5
233.11858	1.0
235.13225	2.9
237.18343	1.3
241.12146	4.1
259.13361	5.3
277.14243	4.7
295.15341	5.0
313.16425	59.2
314.16809	1.6
319.15247	2.8
337.16376	3.1
355.17523	12.4
357.17441	2.9
381.15253	4.4
399.16364	100.0
400.16739	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	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01865	3.0
55.05504	5.7
57.03429	3.1
57.07069	2.7
59.04992	6.6
61.02932	9.6
65.03940	1.9
67.05503	13.1
68.99792	10.8
69.03430	21.6
69.07058	4.3
70.06567	4.8
71.04984	5.8
79.05481	9.4
81.03418	17.0
81.06580	3.3
81.07055	65.1
83.04964	4.8
85.02420	2.5
85.02904	27.6
86.09685	4.4
87.00831	14.9
91.05484	14.2
93.07042	100.0
94.07382	1.8
95.04958	10.8
95.08607	18.8
97.02888	12.3
97.06520	1.4
97.10300	1.5
99.04446	5.6
105.01867	7.6
105.07037	12.3
107.04917	2.5
107.08597	10.0
109.02874	19.6
109.06499	4.8
109.10159	12.9
111.04429	2.4
115.03942	1.4
117.06982	3.1
119.08575	5.6
120.04468	6.9
120.08117	2.6
121.06502	1.7
121.10157	9.6
123.08047	4.4
123.11706	51.0
125.09625	1.5
127.03918	37.3
129.01854	11.1
129.05380	1.5
129.06995	2.0
131.08546	4.5
133.10141	12.5
134.05966	2.9
134.94604	1.3
135.08043	1.7
135.11682	2.8
137.05981	2.2
143.08617	1.7
143.85544	1.5
145.03864	1.5
145.04968	3.4
145.06476	2.2
145.10153	3.3
147.02885	7.8
147.11679	2.7
149.09641	3.6
151.11182	30.7
152.07069	4.1
159.02847	1.8
159.11642	1.9
161.05933	1.4
163.03894	2.1
169.12219	3.0
175.11183	2.1
175.49344	1.5
185.09660	1.8
210.05540	3.6
213.03969	3.5
213.12759	1.5
231.05026	6.2
240.03178	1.3
241.12529	1.4
259.13321	5.6
295.15448	2.5
355.07962	1.4
363.14325	3.2
399.16574	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	399.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	17.1
55.01868	12.7
55.05502	13.9
56.05025	3.8
56.96555	4.8
57.03434	5.8
57.07079	5.8
59.04991	3.4
61.02916	10.2
65.03933	3.3
67.05513	18.6
68.99786	11.6
69.03434	55.6
69.07063	9.8
70.06596	24.9
71.01338	5.1
71.04984	13.3
71.08621	7.7
71.59068	5.1
72.08156	7.4
73.02914	10.7
79.05493	24.3
81.03422	59.0
81.07066	77.4
83.04988	26.3
84.04478	6.4
85.02910	100.0
85.06516	3.1
86.09712	39.5
87.00833	33.2
87.04472	4.5
91.03951	5.0
91.05495	36.4
93.07050	82.9
95.04976	32.4
95.06040	3.4
95.08611	39.1
96.06894	6.4
97.02899	60.0
97.06510	8.6
98.97558	7.7
99.04486	25.1
101.06020	6.0
103.04013	4.0
103.05502	5.4
105.01872	26.1
105.07037	33.7
107.04971	13.1
107.08599	40.1
109.02881	48.4
109.06528	18.2
109.10165	30.6
111.04444	14.2
115.03933	3.9
115.05522	3.8
116.07085	22.6
117.07022	9.6
119.04953	15.9
119.08544	16.4
120.08117	4.9
121.02855	10.5
121.06509	8.5
121.10178	19.2
123.04449	14.9
123.08037	8.2
123.11721	51.2
125.06014	6.7
125.07121	11.2
127.03925	79.8
129.01842	15.2
129.05510	6.4
131.04939	4.0
131.08578	15.2
133.06543	4.4
133.10143	48.7
135.08049	18.1
135.11693	20.5
137.05965	7.9
137.09599	8.9
143.08513	5.2
145.04947	27.6
145.05927	3.3
145.06535	3.7
145.10153	10.4
147.02902	11.0
147.04410	48.7
147.06493	6.7
147.07991	8.1
147.11670	8.8
148.04770	9.7
149.05920	9.2
149.09621	25.2
151.11195	44.6
155.08537	4.1
157.10115	7.4
157.13382	3.5
159.02861	20.6
159.08017	4.9
159.11870	3.8
161.06006	5.4
161.09627	9.6
163.03915	7.3
163.07504	5.8
163.11163	11.8
167.10670	3.9
169.12207	4.2
171.07672	33.1
173.09286	22.4
175.11163	9.5
177.05507	9.9
179.10703	4.6
185.13243	4.0
187.11153	3.6
188.07039	4.3
189.04134	5.0
193.12218	6.9
205.12247	6.7
213.03964	5.3
213.12677	8.3
217.12262	6.7
219.13696	4.2
219.17448	3.7
231.05016	10.4
231.13702	4.8
241.12175	9.6
259.13278	14.5
277.14243	3.6
303.04874	4.6
319.11386	3.7
341.12491	4.8
363.14676	4.6
381.15115	9.5
399.07858	3.4
399.16156	42.3
399.21265	54.8
399.26178	3.4
400.21228	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	399.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16622	2.8
51.62141	2.7
53.03935	11.1
55.01857	12.0
55.05503	17.1
57.03427	9.9
57.07068	5.5
59.23838	2.9
61.02921	12.8
65.03959	3.3
65.46529	2.8
67.05507	22.9
68.99776	10.0
69.03432	50.8
69.07069	4.6
69.64660	2.9
69.84573	17.6
70.06576	11.4
70.88136	2.7
71.04987	8.7
72.08148	4.3
73.02927	16.9
79.05486	24.3
81.03415	55.0
81.06579	5.2
81.07058	100.0
83.04990	14.6
85.02905	81.2
86.09702	11.9
87.00837	31.1
91.05478	25.2
93.07044	96.2
93.07632	6.4
95.04968	33.9
95.08599	42.3
97.02897	52.1
97.06496	5.4
98.20812	3.4
99.04469	19.8
103.05485	3.6
105.01890	20.5
105.07029	38.2
107.08585	45.8
109.02875	52.3
109.06490	16.7
109.10129	27.3
109.45065	3.3
111.04434	7.9
115.03941	5.1
116.07074	8.1
117.01825	4.1
117.07006	5.3
119.08571	18.6
121.02856	4.2
121.06487	5.2
121.10128	28.6
123.04427	4.8
123.08051	7.9
123.11700	51.6
127.03913	83.2
129.01836	10.9
129.05493	3.7
129.06958	3.2
131.04836	3.1
131.08560	11.1
133.06508	4.3
133.10120	46.0
135.04408	3.1
135.08081	14.5
135.11697	25.2
136.06204	3.8
136.08670	4.6
137.05890	3.5
137.09584	6.2
137.13353	2.8
142.07785	4.2
143.08562	11.4
145.04942	23.8
145.10107	15.6
147.02892	9.8
147.04384	5.6
147.07983	5.5
147.11674	11.7
149.05939	7.3
149.09641	19.6
151.11163	48.4
157.10071	4.8
159.02936	14.8
159.08020	4.4
159.11627	4.5
161.09570	9.1
163.07463	3.0
163.11150	9.0
165.09206	3.8
165.12807	3.0
167.10689	6.4
169.10193	3.2
169.12213	7.2
171.07793	7.0
173.09377	10.2
175.11186	14.2
177.09018	4.2
179.10750	3.8
183.11958	3.9
185.09641	5.0
187.11096	6.8
189.04054	3.5
189.12733	4.1
191.10718	3.5
193.12227	8.5
194.06926	2.9
199.11079	3.1
201.09099	5.6
213.03952	7.5
213.12706	7.8
217.12218	4.9
231.05002	9.1
231.13885	3.5
241.12289	6.1
259.13336	10.1
277.14319	5.9
295.15298	3.5
307.11890	3.5
313.16467	3.8
341.12366	4.0
381.15427	11.5
399.16409	23.6
399.21353	7.5
400.21222	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01854	0.7
55.05498	3.0
55.46709	0.7
55.58974	0.8
56.96557	0.9
57.07072	1.7
61.44179	0.7
62.54187	0.7
67.05510	2.4
69.03432	2.3
69.07060	3.2
69.32600	8.0
70.06590	4.0
71.04998	0.9
71.08607	1.0
76.12769	0.6
79.05496	2.4
81.03404	1.1
81.07063	13.7
83.04961	2.1
83.08612	1.3
84.04485	0.7
85.02904	3.3
86.09714	12.2
89.99433	0.7
90.00025	0.7
91.05477	2.6
93.07024	4.0
95.04977	10.2
95.08602	6.3
97.02892	2.7
98.98417	1.0
102.05486	0.7
103.05455	1.1
105.07025	2.7
107.04966	5.4
107.08595	3.4
109.02762	0.6
109.06548	1.0
109.10165	3.6
111.04470	1.6
116.07089	4.5
116.98615	1.6
117.07025	0.8
119.04949	0.8
119.08585	3.7
119.09338	0.8
121.06524	6.5
121.10146	1.5
123.04433	100.0
123.11726	1.3
124.04759	1.2
127.03880	1.1
129.05437	0.7
130.07747	0.9
130.16499	0.8
131.04936	1.5
131.08594	2.0
133.06480	1.9
133.10136	1.7
135.08055	2.1
135.11723	3.9
137.05983	1.3
137.13281	6.9
145.05023	0.7
145.06490	2.2
145.10130	3.3
147.04395	4.9
147.06503	1.1
147.08072	2.9
147.11696	4.2
151.07561	1.0
155.08444	0.8
157.06485	2.2
157.10124	1.2
158.07309	1.7
159.08067	16.5
161.06024	1.1
161.09618	3.2
161.13232	1.9
163.11206	1.6
165.05486	55.9
166.05809	1.4
167.06989	0.9
171.08051	2.9
171.11380	1.3
173.05980	0.8
173.09636	17.8
175.07472	0.8
175.11273	0.9
177.00755	0.9
177.05547	1.6
181.05006	1.1
185.09605	12.6
187.11223	1.1
191.06953	1.2
199.11185	6.1
201.12668	0.8
203.10689	0.8
205.08629	1.1
207.13792	4.6
213.12668	1.3
219.10208	7.0
219.17490	1.9
227.10632	1.3
231.10213	2.5
233.11755	3.0
237.14711	0.8
241.15913	15.9
245.11786	2.9
255.17421	1.8
261.09055	0.7
265.15817	1.5
283.16995	8.5
284.19711	2.2
301.18073	5.8
317.42957	0.8
319.10794	1.0
381.14597	3.2
399.15646	15.9
399.20084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75039	1.0
51.98264	1.2
55.01860	4.6
55.05515	1.2
67.05506	3.4
69.03425	1.4
69.07066	3.6
69.95170	6.5
71.04998	1.3
71.08631	1.8
79.05484	6.1
81.03398	1.2
81.07053	5.0
83.04965	1.3
91.05479	4.3
93.07050	4.0
94.04173	2.6
95.04942	2.4
95.08604	4.4
97.02885	1.8
97.06546	8.1
103.05460	2.3
105.07049	6.3
106.69785	1.1
107.04956	1.5
107.08564	3.9
109.06487	2.0
109.10156	1.7
111.04438	2.2
115.05442	1.4
119.08554	2.1
121.06477	1.7
121.10076	1.7
122.03633	5.4
123.04367	1.8
128.31535	1.1
129.06985	1.3
131.04921	3.6
131.08597	1.2
133.06499	2.2
133.10120	1.7
137.02344	3.5
137.05978	55.8
144.05661	1.3
145.02841	1.8
145.06549	2.1
145.10104	1.7
146.03583	3.2
147.04395	3.2
149.05888	1.4
153.01834	11.3
155.04926	4.8
159.08121	1.7
161.05969	12.9
161.13202	1.8
163.07512	2.1
165.05490	3.2
165.07014	3.1
167.07043	2.3
175.07649	1.9
177.05518	2.1
179.07021	1.8
179.08562	1.8
183.04422	1.5
187.07561	2.9
189.05457	2.3
189.07024	5.4
190.07755	7.7
191.07025	1.9
191.08546	7.6
200.04668	1.5
201.05396	2.1
202.07767	2.0
203.08612	1.4
205.06573	2.5
206.07172	1.3
207.08083	5.6
208.08792	3.1
215.06923	8.0
215.08836	1.4
217.04948	4.0
218.07297	13.7
219.08044	14.8
220.08760	2.2
221.05931	4.6
223.07407	1.4
229.04634	2.0
229.06767	6.6
230.07391	2.1
231.07979	2.4
233.09607	2.7
234.06905	1.2
235.07466	8.5
236.08337	6.9
245.04344	6.6
246.06821	14.0
247.07565	19.3
248.08344	2.3
249.05452	2.3
249.09120	2.3
250.06221	2.2
250.09799	2.2
251.10675	2.2
253.08643	1.6
257.06036	4.4
258.06775	2.6
259.07574	6.4
261.09131	26.5
262.09714	1.7
263.07019	10.8
264.07782	8.4
265.08554	3.2
269.04483	1.7
271.05969	1.6
273.03827	8.8
274.06403	12.9
275.07089	9.2
276.07706	1.5
277.08569	4.3
278.09338	7.2
279.07202	1.7
279.10016	7.8
280.07135	1.3
281.07901	1.4
285.03925	2.4
289.08606	40.4
290.09271	8.9
291.06842	2.3
291.09860	1.6
292.07346	3.2
293.07822	1.3
293.11624	2.1
295.09705	2.5
299.05643	8.0
301.03448	12.6
302.04208	11.1
303.04971	11.1
303.10281	1.5
306.08923	11.4
307.09650	46.7
307.13138	2.7
308.10083	3.6
309.07532	1.3
309.10919	1.5
313.03436	26.3
313.07043	2.5
314.03693	1.5
321.11218	100.0
322.11493	3.4
325.06998	2.2
326.04349	2.4
327.08542	2.6
339.12268	14.7
355.08167	24.4
356.08588	2.0
399.10730	84.4
399.19971	7.7
400.10995	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	399.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05503	1.5
65.03934	1.0
67.05493	0.7
69.07090	0.7
69.95728	3.9
71.08633	0.8
79.05475	2.6
81.07045	2.1
83.04987	1.6
85.10175	0.7
91.05483	2.5
93.07018	1.8
94.04185	2.6
95.04966	1.4
95.08639	1.4
97.06525	1.2
101.06049	1.2
103.05445	2.9
105.07044	3.9
107.04944	1.6
107.08572	1.1
109.06497	1.1
109.10100	0.9
110.32785	0.5
111.04442	1.2
115.05457	2.6
118.04198	0.7
119.08592	1.4
121.06470	0.7
121.10145	0.9
122.03654	7.3
128.06203	0.6
131.04927	3.1
133.06474	1.6
133.10129	1.0
135.04428	0.6
137.05977	56.3
138.06201	1.0
143.02063	0.6
144.05728	1.1
145.06473	0.9
146.03638	3.2
147.04402	1.6
147.06505	1.0
149.05957	1.0
151.03944	0.7
151.07541	2.7
152.07870	0.7
155.04921	3.7
159.11763	0.8
161.05989	14.2
162.06696	2.0
163.05141	0.6
163.07574	1.2
165.05470	3.8
165.07019	2.4
172.05226	1.3
173.05899	0.6
175.07552	1.7
176.07918	0.9
177.05453	1.4
178.07790	1.1
179.08618	1.2
181.06485	0.8
183.04369	1.7
185.05997	1.4
187.07544	2.5
189.06894	3.7
190.07738	7.4
191.08548	8.6
193.06432	0.7
194.07176	0.9
195.08134	0.8
199.07622	0.9
200.04689	1.1
201.06937	1.4
202.07787	3.7
203.08554	1.9
205.06514	2.4
206.07277	1.2
207.08072	5.1
208.08823	3.1
209.07997	1.2
210.06866	0.9
215.06975	8.2
215.08646	1.0
217.06551	0.7
218.07266	17.2
219.08073	15.5
220.05235	0.7
220.08794	2.6
221.05963	2.4
221.09520	0.6
222.06761	1.1
222.10332	0.8
224.08374	0.8
225.09183	0.6
229.06491	7.8
230.07112	3.1
231.08034	2.8
232.08524	0.7
233.06178	0.8
233.09567	2.4
234.06781	2.3
235.07576	13.4
236.08333	6.6
237.05557	1.1
237.09081	1.4
243.08055	0.8
245.06015	1.9
246.06761	17.9
247.07545	23.2
248.08365	4.9
249.05417	1.9
249.09058	2.0
250.06273	1.5
250.09901	2.6
251.07027	1.5
251.10674	1.6
252.07681	0.7
253.08641	1.3
257.05984	8.4
258.06729	4.8
259.07501	5.2
260.08423	1.0
261.09128	31.5
262.06586	1.1
262.09692	2.9
263.07004	11.3
263.09625	1.0
264.07816	10.2
265.08698	2.9
271.07495	0.8
273.05566	1.0
274.06235	15.5
274.09213	1.1
275.07034	11.5
275.09970	0.7
276.07736	2.4
277.08630	4.8
278.09399	7.8
279.10123	9.9
280.07437	1.0
280.10483	0.8
281.08014	1.1
288.07785	1.0
289.08591	43.9
290.09277	11.9
291.06549	4.8
291.09842	1.2
292.07281	3.7
292.10358	0.8
293.08429	1.0
293.11563	4.0
295.09634	2.8
301.03781	0.6
303.05008	1.2
303.10214	1.0
305.07986	1.2
306.08893	11.4
307.09653	52.7
308.10046	2.8
309.10989	1.1
321.11221	100.0
322.11475	5.5
335.70932	0.6
339.12238	14.3
355.08072	1.9
399.10605	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	399.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01866	1.3
55.05503	4.2
57.03418	1.5
66.48737	1.4
67.05492	3.3
68.20936	0.9
69.03438	7.0
69.07054	4.0
70.06587	1.2
70.50368	3.4
71.04992	2.3
71.08633	3.5
72.08897	0.9
79.05492	7.6
81.03442	2.2
81.07061	16.8
83.04985	3.5
83.08623	1.1
85.02912	10.2
85.06538	2.1
85.82286	1.0
86.09711	1.3
87.04450	1.3
89.03929	6.7
91.05495	6.5
93.07047	7.7
95.04978	8.9
95.08595	6.7
97.02910	6.3
97.06535	1.4
99.08073	1.9
100.08452	1.3
100.11269	1.3
101.06004	2.4
105.07031	6.9
107.04949	4.3
107.08611	6.8
109.02869	2.0
109.06500	3.1
109.10165	4.3
109.72078	1.0
111.04433	1.3
116.06248	1.1
117.03383	23.6
117.07007	2.7
119.04935	1.3
119.08579	4.9
120.08080	1.1
121.06550	4.5
121.10152	4.5
123.04432	59.2
123.08084	0.9
123.11703	1.6
125.09654	1.3
126.10305	0.9
127.03925	3.7
129.05544	1.1
129.07059	1.3
131.04929	1.2
131.08569	3.7
133.06461	2.4
133.10144	4.7
134.03600	1.7
135.04436	2.6
135.08057	6.5
135.11707	3.4
137.06029	2.3
137.09592	1.4
137.13254	6.1
140.42606	1.0
143.10736	1.0
144.05690	1.1
144.09399	1.0
145.02849	46.1
145.06480	1.5
145.10132	4.3
146.03178	1.2
147.04439	6.7
147.08069	2.7
147.11685	4.7
149.06006	10.1
149.09618	3.3
151.07579	1.9
153.01845	4.4
153.09094	1.0
153.12733	1.3
157.06471	2.1
158.07245	1.3
159.08076	9.5
159.11632	7.0
161.05942	1.5
161.09650	2.5
161.13269	1.3
163.07587	1.9
163.11159	1.5
165.05482	32.6
165.06889	1.7
171.08076	2.0
173.09615	10.9
173.11748	1.6
173.13216	1.4
174.12079	1.8
175.07455	1.4
177.05479	100.0
177.12717	2.0
178.05783	1.7
181.08513	2.0
185.09636	7.9
186.05527	1.5
187.11296	1.4
189.09152	1.5
191.12758	1.2
195.06448	1.1
199.11185	3.7
201.16446	1.5
219.10153	3.7
219.13861	4.6
219.17456	3.4
220.20393	0.9
231.10135	1.7
233.11609	1.4
237.14854	15.9
237.18526	2.0
241.15868	12.4
245.11739	2.0
271.05817	1.2
283.16974	5.5
301.17947	2.6
311.05325	0.9
318.32623	0.9
355.08139	19.2
356.08151	1.4
399.10675	9.9
399.15649	11.5
399.20294	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	399.1077
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
50.33779	0.6
55.01870	1.4
55.05494	1.4
57.08382	0.6
67.01850	1.5
67.05496	1.5
68.99781	3.5
69.03419	2.1
69.07058	2.3
69.53113	1.3
69.53516	4.3
71.08635	0.7
79.05486	2.2
81.03421	0.9
81.07065	2.9
83.04980	1.0
85.02874	2.3
91.05466	1.6
93.07026	1.3
95.04948	0.8
95.08624	1.4
97.02885	1.7
97.06525	1.5
98.20694	0.5
105.07020	2.0
106.89491	0.6
107.04961	1.5
107.08569	1.4
109.02871	1.3
109.06521	0.6
109.10161	1.0
111.00785	2.0
115.05418	0.9
117.07056	0.8
119.08545	0.7
121.06474	0.7
121.10133	1.2
123.04414	1.4
123.08067	0.6
123.11732	0.7
127.03866	0.9
128.06151	0.9
129.07016	1.5
131.04921	1.8
131.08582	1.3
133.06451	0.9
133.10117	0.8
135.08043	1.0
137.02342	1.6
137.05945	1.0
139.03862	1.6
143.04919	1.1
143.08559	1.2
145.06557	1.0
145.10143	0.9
147.04416	1.7
147.11649	0.6
151.03969	0.8
151.07449	0.6
153.01823	100.0
153.06943	3.2
154.02151	1.2
155.03435	0.7
155.04852	0.8
155.08565	1.2
157.06433	0.9
157.10054	0.7
159.08017	1.1
159.11716	0.9
160.05173	1.4
161.05963	3.8
163.03969	0.9
165.01791	3.3
171.02904	1.5
171.08029	1.1
173.05936	3.5
174.06783	0.8
175.03928	0.7
175.07532	2.4
177.05435	1.4
181.01335	0.8
181.06497	2.7
183.08041	1.6
185.06030	1.0
187.03781	0.7
187.07549	2.4
189.05484	1.7
189.09105	2.5
193.04900	1.1
199.07576	3.6
200.04704	0.9
201.05476	2.9
201.09183	3.0
203.03377	2.9
203.07057	2.1
205.08583	0.7
209.06064	1.0
211.07660	1.0
213.05489	0.7
215.03568	0.6
215.07021	2.1
216.04283	0.8
217.04984	2.3
217.08586	3.0
219.17354	0.8
227.07007	5.4
229.05061	1.3
229.08556	5.5
231.06514	2.3
237.05341	1.1
237.09091	0.7
237.18547	2.8
241.08510	1.3
243.06528	0.8
244.03442	0.6
245.04387	1.2
245.08022	3.5
253.05035	0.8
255.06508	11.0
265.05145	0.7
269.04538	1.2
269.08115	1.4
270.05307	1.0
271.06021	0.9
273.04132	1.8
273.07535	18.0
278.05640	1.2
279.06525	1.6
282.05045	1.6
283.06046	0.8
285.03976	3.1
295.05911	1.8
296.06702	1.2
297.04306	0.9
297.07523	1.5
298.04727	2.6
299.05304	3.6
301.03482	1.5
302.04300	1.1
303.04971	1.8
306.05176	1.2
307.06131	1.0
307.09595	1.9
309.07681	2.8
310.04901	1.1
311.05505	4.6
311.09164	2.6
313.03424	8.1
313.07117	2.0
317.08167	0.9
318.89200	0.7
321.07651	0.9
323.05399	2.1
324.06351	2.8
325.06979	3.1
325.10364	1.3
326.04257	2.8
327.05127	7.0
327.08694	1.3
334.04630	1.9
335.05353	1.4
335.09174	3.6
337.07159	4.4
339.04868	1.3
339.08621	0.9
340.05664	0.8
341.06717	0.7
342.07294	1.7
347.39041	0.6
348.06381	1.1
352.05771	1.0
352.09732	0.7
353.06393	1.1
353.10236	4.0
355.08121	19.5
356.08426	0.9
363.08737	5.1
381.09647	25.6
399.10727	48.2
399.27737	0.9
400.10947	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1077
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
55.01865	2.5
55.05516	2.3
57.03428	1.3
59.04989	0.8
67.01855	2.1
67.05502	2.5
68.99792	3.9
69.03435	4.0
69.07054	2.6
69.10696	0.7
70.06593	4.9
71.04975	0.9
71.08631	1.3
71.59631	1.7
75.49178	0.6
79.05478	3.6
81.03426	2.0
81.07067	6.2
83.04991	1.7
83.08604	1.1
84.86169	0.8
85.02908	2.7
85.06538	1.2
86.09700	1.4
90.57860	0.7
91.05473	3.0
93.07038	4.2
95.08611	3.6
97.02898	3.5
97.06552	1.8
99.04418	0.8
99.08115	0.9
101.06042	1.0
103.05433	0.9
105.07029	4.2
107.04961	1.8
107.08586	3.5
109.02913	1.5
109.10157	2.3
111.00801	2.2
111.04411	1.2
115.05448	1.5
117.07028	0.7
119.08566	2.9
121.10151	2.4
123.04471	1.9
123.08070	1.0
123.11737	1.1
125.09641	1.1
127.03927	2.2
127.08697	1.3
128.06233	1.1
129.05496	0.9
129.06984	1.7
131.04968	0.9
131.08525	1.6
133.06520	1.0
133.10103	1.9
135.08038	6.1
135.11685	1.7
137.02361	2.1
137.05917	0.8
137.13260	1.1
139.03874	1.1
143.08498	1.3
144.05759	1.0
145.02812	0.9
145.06488	1.1
145.10088	1.7
147.04422	2.6
147.06555	0.9
147.08124	1.5
147.11696	3.0
149.09636	1.2
151.11214	0.8
153.01833	100.0
153.06966	3.7
155.03450	1.7
155.08524	1.9
157.06464	1.8
159.08046	2.0
159.11691	2.1
160.05200	2.3
161.06018	6.1
161.13274	1.2
163.03886	1.1
165.01843	2.8
167.07098	1.0
171.02921	1.5
171.04333	0.9
171.08044	1.8
171.34482	0.9
173.05994	3.3
175.03911	1.6
175.07484	3.6
175.11232	1.2
176.04692	1.1
177.05505	0.8
177.16385	2.4
179.03279	1.0
181.01353	1.3
181.05034	1.3
181.06506	3.1
183.08070	1.4
187.03964	1.3
187.07527	2.3
189.05496	2.8
189.09131	3.1
199.07550	3.0
200.04797	1.0
201.05453	2.4
201.09183	2.5
201.16360	1.7
203.03467	2.7
203.07022	2.1
205.08698	0.7
209.05905	1.0
211.07523	1.2
213.05513	1.1
215.07028	1.7
217.04924	1.7
217.08633	1.5
219.13731	0.9
219.17473	1.2
227.07047	5.2
229.04944	1.1
229.08514	5.1
229.15395	3.6
231.06540	1.8
233.05780	1.3
237.05646	1.2
237.14832	1.4
237.18468	1.0
241.08617	1.2
242.05943	1.2
243.06422	1.1
245.08150	3.2
253.04956	1.1
255.06479	10.1
258.05234	0.9
265.08759	0.8
269.04440	2.2
269.08041	1.4
270.05087	1.8
273.04498	1.0
273.07559	17.5
279.06439	1.2
282.05289	2.3
283.06076	0.9
283.16925	0.9
285.04019	2.9
286.17621	1.1
292.07230	0.9
295.06021	1.5
296.92065	0.7
297.04126	1.9
297.07516	1.9
298.04669	4.8
299.05276	1.9
302.04199	1.1
303.05151	2.3
306.05219	1.8
307.06506	0.9
307.09747	2.6
309.07764	3.5
310.04788	1.1
311.05832	3.7
311.08994	1.6
313.03464	5.9
313.06860	1.3
315.05078	1.0
315.08453	0.9
321.07587	0.8
323.05511	1.7
324.06213	1.7
325.07092	3.2
325.10727	1.4
326.04245	1.5
327.05060	6.7
334.04648	1.4
335.05600	0.9
335.09113	4.3
337.07056	3.7
339.04965	1.6
339.08630	1.0
342.07458	1.6
352.05493	0.9
353.10162	5.1
355.08115	33.3
363.08551	5.1
381.09695	20.6
381.14459	1.6
399.10730	43.5
399.19687	1.8
400.11035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
53.04827	0.4
55.01867	2.1
55.05498	0.7
57.03434	0.7
58.47461	0.4
67.05514	2.4
68.99797	1.3
69.03429	1.0
69.06722	0.6
69.07069	7.0
71.08630	0.7
79.05495	8.4
81.03387	1.1
81.07049	0.9
83.04981	1.8
85.02902	0.6
91.05477	0.8
95.04952	2.2
97.06533	49.1
98.06873	0.4
98.20777	1.1
101.05982	0.5
105.07076	0.6
107.04942	0.6
109.02849	1.0
110.03677	1.1
111.00781	1.4
111.04469	1.2
119.08538	0.9
121.02859	1.2
121.06508	0.5
122.50182	0.5
125.05954	0.4
127.03916	1.5
133.10120	0.7
135.07925	0.5
137.02336	9.3
137.03363	0.7
139.91040	0.4
145.06566	0.6
145.10172	0.4
147.04489	0.6
147.06598	0.7
149.02377	0.8
153.01828	9.0
161.05954	1.1
163.03917	1.3
165.01836	3.2
173.06033	0.9
177.05540	0.7
183.00383	0.4
183.02905	1.7
186.03062	0.5
187.03851	0.8
187.90836	0.5
193.01242	0.5
193.04948	0.7
199.03842	0.4
200.04704	0.9
201.05431	2.5
203.03273	0.6
207.06427	0.7
217.05002	0.8
227.03453	0.5
228.04095	3.3
229.04967	8.5
229.26180	0.7
237.07576	1.6
245.04456	2.0
247.06023	0.6
255.02982	0.7
256.03665	0.7
257.04462	4.3
273.03937	11.7
274.04691	4.9
275.05545	2.1
285.03946	3.4
301.03479	13.4
302.04227	41.0
303.04990	100.0
304.05301	2.7
315.05005	6.3
329.02936	4.5
339.04959	0.7
353.10205	0.7
355.08096	0.9
381.09619	8.6
399.10703	12.0
400.11069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55480	0.4
56.96564	7.5
60.65608	0.5
62.33937	0.3
67.05515	0.4
69.45881	3.1
71.95261	0.8
75.30610	0.4
75.87489	0.4
81.07058	0.8
89.46942	0.4
97.02894	1.3
98.97583	40.0
116.98621	53.5
119.01927	1.1
130.93295	0.6
134.99660	50.2
137.02826	0.4
140.00238	1.7
147.06587	0.4
148.94353	0.5
153.00719	10.9
158.01268	2.9
172.94383	1.0
176.02367	0.6
177.00978	1.1
190.95384	4.5
192.98712	0.9
197.95340	0.5
208.96475	3.2
214.95474	1.2
216.98776	0.5
219.02039	1.3
220.02171	0.6
221.01704	0.4
224.97192	0.5
232.96477	7.1
234.99915	1.5
250.97581	6.9
254.46426	0.4
256.96423	14.3
258.99841	4.2
259.99954	0.6
261.00323	0.5
261.03009	2.6
262.03149	0.6
263.02673	0.7
273.99084	0.7
274.97519	100.0
275.97775	1.9
276.97821	0.7
277.00891	8.7
278.01062	1.1
279.00839	1.2
282.99969	5.0
284.00104	0.6
284.99918	0.6
288.88348	0.4
290.95465	0.7
292.98563	80.1
293.98901	1.6
294.98828	0.4
297.99133	10.4
298.97641	4.9
300.02692	0.5
300.97549	0.6
301.01041	11.4
302.01157	1.5
303.00800	0.6
310.99698	1.2
316.00122	6.1
316.98788	12.4
317.98959	1.8
318.98700	0.8
319.02106	1.1
332.96671	0.5
334.99963	0.5
339.01871	0.7
340.00223	0.5
344.94946	0.5
356.98456	1.1
374.99249	7.2
380.96750	1.8
393.00159	0.4
398.97894	10.9
399.20300	0.5
399.97958	0.8
413.60037	0.4
416.99289	4.6
417.21149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
53.91458	0.9
55.05509	15.9
55.88933	1.0
56.05021	4.0
57.07071	5.0
60.04525	100.0
67.05501	12.0
68.05000	1.6
69.07071	8.7
70.99462	2.4
70.99812	1.0
71.08594	3.3
72.04498	2.7
74.06055	4.7
79.05504	7.4
81.07059	17.3
82.06575	1.2
83.04977	17.3
83.08607	5.3
85.10182	2.3
90.05508	2.6
91.05473	6.0
93.07056	7.7
94.06515	1.9
95.04942	1.6
95.08596	14.5
96.08081	1.3
96.08939	1.1
97.06496	1.2
97.10134	3.4
100.11222	1.1
105.07027	7.2
107.08575	5.8
108.08872	1.1
108.33846	1.2
109.06462	1.1
109.10166	10.5
111.04434	1.5
111.11709	1.1
112.07512	1.1
119.07949	1.0
119.08581	11.5
121.10089	4.0
123.08057	1.0
123.11667	4.1
133.10107	5.2
135.11632	2.0
136.11977	1.5
137.13228	1.5
142.12267	2.0
144.13835	41.9
145.10020	2.5
147.11693	7.0
149.09679	1.2
149.13213	2.1
154.70839	1.0
157.10074	1.2
159.11655	2.7
161.13214	2.5
169.09935	1.0
171.03133	1.2
175.14870	1.4
176.15152	1.2
184.07254	2.8
185.13191	1.4
211.14845	1.2
217.12146	1.4
229.07437	1.1
237.21960	1.2
239.17735	1.1
250.24989	1.2
251.23654	1.4
262.25278	2.5
280.26364	24.6
281.18762	1.7
298.27393	35.9
299.20056	5.3
299.27563	1.9
380.35211	2.0
393.19574	1.2
398.36118	64.3
399.36649	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	398.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.9
55.05509	8.0
57.03436	1.8
57.07050	1.3
61.02918	1.9
67.05505	6.7
69.03423	2.1
69.07076	6.0
71.04977	1.3
71.61079	2.1
73.02909	6.8
79.05473	4.4
81.07054	11.4
83.04563	1.3
83.04984	14.8
83.08611	2.4
85.02884	2.2
85.06551	2.3
91.05468	3.8
93.07033	11.6
95.04938	1.3
95.08608	20.7
97.02863	1.5
97.06529	2.9
98.71467	1.2
102.48528	1.2
104.58547	1.2
105.07023	4.7
105.71095	1.3
107.08582	12.6
109.10169	13.8
111.04440	10.2
113.05990	2.9
115.07558	2.1
115.11691	1.2
115.28790	1.2
117.06980	1.6
119.08560	10.3
121.09328	1.6
121.10152	20.4
123.08042	1.8
123.11711	3.2
131.08533	3.2
133.06502	1.3
133.10185	6.5
133.10945	1.2
135.11699	10.5
137.09579	3.7
137.13208	1.4
139.07455	1.7
141.09085	3.7
145.10153	6.7
147.11668	5.3
148.05847	1.2
149.13277	7.8
155.03467	1.2
157.10124	2.2
159.11681	4.3
161.09566	1.3
161.13268	5.1
163.11186	2.0
163.14783	5.9
167.10632	2.3
171.11693	3.0
173.13206	1.6
175.11082	1.5
175.14827	3.1
177.16333	2.3
183.11699	1.8
185.13213	1.7
189.12767	1.4
191.14346	1.4
197.13268	2.1
201.07599	1.4
201.12668	1.5
201.16278	1.7
203.14268	1.3
203.17986	2.3
205.19438	3.6
207.13805	3.1
211.14810	1.4
215.14323	1.5
217.19440	3.7
229.07443	3.4
229.19507	2.5
231.21080	1.6
233.15425	2.0
241.19418	2.4
247.08583	3.4
247.16783	1.5
261.18399	1.5
275.20218	1.6
285.22137	12.6
299.20114	2.7
303.23184	100.0
304.23526	3.8
317.17740	3.2
332.38129	1.5
354.18536	1.9
363.24948	3.7
380.27753	3.3
398.13229	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2693
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
51.02375	0.4
53.03936	0.9
55.01879	0.5
55.05507	1.8
55.18835	0.3
57.07060	1.1
59.04987	0.4
67.05516	3.1
68.05035	2.3
69.03422	1.2
69.07059	2.3
70.06594	13.2
71.04994	0.7
71.58294	0.5
71.58965	0.4
79.05490	5.2
80.04984	0.5
81.03433	0.4
81.05794	0.4
81.07058	4.9
83.04948	0.7
83.08602	0.7
84.08131	0.4
85.02913	0.6
88.45126	0.3
91.05479	7.0
93.07047	7.9
94.06570	1.1
95.04961	3.8
95.08607	3.2
96.08148	2.8
97.02901	1.1
97.06519	1.0
98.06049	1.1
100.07616	4.5
103.05461	0.6
105.07033	11.7
106.06557	0.8
107.04950	1.0
107.07402	0.5
107.08593	6.1
107.63442	0.4
108.08105	1.1
109.06525	0.8
109.10158	2.4
111.04435	0.5
114.05533	4.8
116.06328	0.6
116.07093	5.5
117.07030	4.0
119.08584	13.7
120.08125	3.3
121.10142	4.0
122.09678	2.4
123.04458	0.4
123.08000	0.5
123.11672	0.8
127.03955	0.9
128.06198	0.9
128.07068	4.7
129.07030	1.9
130.07779	1.0
131.04916	0.5
131.08575	8.0
132.08054	0.4
133.09018	0.5
133.10141	6.2
133.65604	0.4
134.09624	1.1
135.08047	1.6
135.11681	1.1
136.11221	1.5
137.05966	1.2
140.07103	0.4
141.06926	1.2
142.07759	1.1
142.08719	0.6
143.08562	4.3
144.09343	1.6
145.10133	9.4
146.09613	0.9
147.04399	0.6
147.08018	0.6
147.11685	2.7
148.11209	4.6
149.12074	0.6
149.13283	0.5
150.12755	0.4
151.06299	1.2
151.11179	0.4
152.07033	0.5
153.01840	0.7
154.08612	1.5
155.08527	2.0
156.09315	1.5
157.10126	4.2
158.10899	1.3
159.11708	3.6
160.11247	1.0
161.05972	0.4
161.13280	1.0
162.12738	0.8
163.14915	0.4
164.07126	0.9
166.08582	1.0
167.07030	1.5
167.08443	0.6
168.10233	20.1
169.10106	1.7
170.10934	0.8
171.11707	1.9
173.09596	0.4
173.13257	4.2
175.11148	0.5
175.14781	2.4
177.05426	0.5
178.08633	5.0
179.08453	0.4
181.04919	0.7
181.10117	1.0
183.11703	3.3
184.12492	0.6
185.13289	2.0
187.14818	1.2
192.10181	2.6
194.11827	9.2
195.11745	1.4
197.13226	2.1
198.14069	0.4
199.14824	1.5
201.16443	0.5
205.15849	0.4
206.11742	1.2
208.13277	0.6
209.13257	2.0
210.14108	0.4
211.14890	1.1
214.15927	0.5
220.13391	0.6
223.14839	1.0
225.16211	0.5
227.14346	0.4
230.11856	0.6
232.13281	0.9
234.14880	1.3
235.15012	0.6
237.16286	0.3
239.17964	0.8
244.13324	0.8
245.08028	0.7
253.15869	0.8
257.18796	0.4
258.14871	0.6
259.15524	0.5
260.16446	4.0
265.19498	1.5
267.21036	0.5
273.04007	0.5
279.10538	0.3
301.03287	0.7
303.05130	0.7
306.20480	2.8
307.09619	0.7
313.03394	1.1
339.12152	0.5
355.08066	1.6
367.11926	1.0
368.12466	0.5
380.25851	9.2
381.25943	0.4
398.26901	100.0
399.10272	4.8
399.14752	1.3
399.27209	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	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	23.7
59.05026	2.6
61.02919	7.5
65.61632	2.4
67.05505	3.1
69.03436	64.2
69.07069	16.6
69.24660	2.4
70.89256	2.5
70.91696	3.6
70.92020	3.9
71.10249	2.3
73.02922	13.3
75.04452	2.5
81.03389	2.4
81.07085	4.5
83.04987	3.0
84.01567	2.5
85.02428	4.9
85.02909	71.2
87.04473	41.7
90.15321	2.5
91.03979	3.5
91.05478	4.4
93.07045	8.7
95.04971	3.0
97.02285	3.8
97.02901	58.8
97.06538	3.4
99.04461	3.2
105.07057	3.9
107.04945	5.1
107.08560	4.7
109.02869	5.0
111.04436	5.6
111.08092	15.6
115.03935	86.0
115.04751	4.1
119.08601	4.6
127.03928	16.4
132.08153	2.6
133.04971	100.0
139.03815	3.3
145.04948	34.7
147.04378	11.7
147.08038	4.9
150.07666	12.6
151.06181	2.5
153.09155	4.4
160.07568	6.0
163.06015	26.6
165.09105	6.1
176.87968	2.5
183.10190	4.4
188.07104	6.2
189.05588	3.0
195.10164	4.2
201.11226	12.5
206.08095	4.6
213.11258	5.5
219.12254	5.8
241.07109	4.9
242.37337	2.7
255.39207	2.6
259.08151	5.5
277.09149	3.0
295.10162	8.1
380.13577	5.1
398.14673	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	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55011	1.2
52.27268	1.5
53.03943	3.2
53.04232	1.2
55.05503	2.0
57.03434	2.2
63.32580	1.0
64.73949	1.1
67.05511	2.6
69.03434	13.1
69.33767	13.6
70.03773	1.7
70.06593	4.2
71.05003	4.8
73.02917	3.3
79.05495	2.0
81.03426	15.6
81.07054	4.9
82.03748	2.2
82.06592	1.2
83.04984	1.8
83.08613	2.2
84.50104	1.1
85.02907	76.2
85.06532	2.5
86.03237	1.3
86.09702	1.8
87.00827	1.2
89.03948	2.7
90.04252	2.4
90.38926	1.1
91.05467	2.8
93.07069	2.4
95.04977	1.8
95.08586	2.9
97.02895	19.3
98.97598	2.8
99.04458	39.3
100.11256	3.1
103.03945	95.7
105.07053	2.5
105.44290	1.2
107.08627	2.5
109.02886	15.7
109.10156	2.5
111.04479	1.6
116.98588	1.6
117.03373	9.3
118.03651	6.4
119.08572	1.7
121.10175	1.8
123.11718	3.9
127.03918	100.0
128.04309	1.7
129.04306	1.2
133.10130	1.5
137.06001	1.9
145.02905	18.4
145.04959	58.2
146.03185	16.3
147.04460	1.4
147.11636	1.6
149.05995	2.2
150.06313	1.5
159.09227	1.5
159.11725	1.8
163.06020	64.8
177.05473	32.2
178.05820	32.1
179.06047	1.7
183.13808	4.6
187.05954	5.8
195.06616	1.9
205.07159	4.0
216.62013	1.3
271.08182	6.3
289.09210	5.6
307.10303	10.2
363.16318	2.2
398.11990	4.2
398.32361	2.9
398.82550	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01867	6.9
55.05501	5.8
57.03438	7.6
57.07053	1.1
59.04956	0.9
61.02934	7.5
63.99654	1.1
67.05490	3.5
68.99779	4.2
69.03428	42.8
69.07050	2.6
70.06589	3.8
71.04997	5.0
71.59135	1.3
73.02916	5.2
79.05486	4.3
79.05913	1.1
81.03418	26.7
81.07068	6.2
83.01320	1.3
83.04987	1.6
85.02903	100.0
87.00825	41.1
91.03913	1.4
91.05466	4.9
93.07041	5.1
95.04964	2.8
95.08620	3.0
97.02885	27.9
97.06536	1.5
97.10179	11.5
99.04462	13.4
101.02383	1.6
103.03947	2.6
105.01862	66.9
105.07011	6.3
107.05014	1.2
107.08577	5.3
109.02875	28.9
109.06532	4.4
109.10160	3.3
111.04436	2.2
115.03970	1.6
115.11211	4.4
117.01826	2.7
117.07024	1.7
119.08564	2.7
121.06486	1.7
121.10135	3.6
123.04373	1.8
123.08051	1.2
123.11688	7.4
125.02297	1.5
125.09610	1.3
127.03915	77.4
128.04295	1.7
129.01840	4.3
131.08569	1.9
133.06503	1.5
133.10135	3.7
135.08057	2.6
137.05937	1.3
137.09602	4.9
143.08482	1.5
145.04967	21.2
145.10123	1.8
147.02899	1.7
147.11662	1.7
149.09616	4.3
150.10347	1.1
151.11159	10.4
159.02901	10.9
161.09598	2.6
162.24809	1.0
163.11171	2.7
167.07018	1.3
171.02914	1.4
174.54848	1.3
175.11153	2.1
175.22031	1.0
185.09567	1.0
189.03961	3.1
189.09097	1.2
192.86200	1.0
193.12294	7.5
213.03970	4.1
217.08603	1.0
223.13248	11.4
224.08032	1.2
231.04980	34.8
241.14389	2.4
243.13234	1.2
246.14809	1.2
246.64943	1.4
249.06082	7.9
259.13312	2.1
277.14304	1.5
283.37021	1.2
313.16541	10.0
317.43314	1.3
327.14444	2.7
345.15414	8.5
355.13239	1.2
355.17606	2.5
374.98087	2.5
392.99066	2.9
397.99542	1.5
399.16531	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	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45053	1.4
51.93369	1.4
53.03936	5.3
55.01862	5.8
55.05508	7.9
55.24550	1.5
57.03428	6.0
61.02919	6.1
67.05493	1.5
68.99780	2.2
69.03077	2.9
69.03427	41.8
69.07075	2.1
69.91956	9.5
70.06570	3.4
71.04980	7.0
73.02914	6.3
79.05477	3.5
81.03413	26.6
81.07043	4.4
83.04969	2.2
85.02905	100.0
86.09701	4.4
87.00827	41.6
91.05462	5.9
93.07036	3.0
95.04978	2.4
95.08603	2.3
97.02895	30.0
97.10172	14.1
97.46906	1.6
98.20844	1.7
99.04451	11.1
100.11262	1.7
104.64804	1.5
105.01866	71.3
105.07030	4.2
107.04981	1.7
107.08620	3.3
108.90550	1.6
109.02877	30.6
109.06541	2.3
111.04450	3.8
115.11234	3.3
117.01849	1.8
120.08126	2.1
123.11710	4.1
127.03920	75.1
129.01852	4.1
130.08929	1.5
131.08588	1.7
133.10120	4.5
137.09628	1.7
141.04834	2.5
145.04965	24.4
145.10080	1.8
147.02921	2.1
147.04462	2.1
149.09615	2.0
151.11172	5.2
159.02892	9.1
165.46635	1.6
177.05490	2.7
177.16449	1.6
189.03990	4.3
193.12294	2.2
199.13405	1.6
211.11041	2.1
213.03955	5.6
223.13329	5.5
231.04971	31.8
241.14349	3.2
246.14906	3.0
249.06032	8.9
250.73207	1.8
295.15005	2.0
315.05005	2.9
327.14322	3.2
345.15430	11.3
374.97971	5.5
388.95898	2.7
392.99066	5.5
397.99429	3.4
399.16443	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	398.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96149	2.5
55.01902	3.2
55.05491	3.2
56.05029	6.3
56.18247	2.4
57.03432	3.8
60.04522	3.9
61.02901	2.2
63.40470	2.3
65.03930	9.3
67.05506	9.1
68.99786	2.6
69.03425	21.1
69.07064	4.0
69.65010	18.6
70.06577	4.4
74.78621	2.9
79.05494	4.2
83.04989	39.8
84.04506	27.6
85.02911	24.8
87.04464	13.7
91.05480	12.4
93.03410	14.4
93.07068	2.5
95.04969	9.3
97.02879	18.7
99.04475	2.8
103.05486	2.7
105.07033	6.3
107.04961	54.2
109.02885	2.6
111.04457	52.0
111.08084	4.0
115.03950	16.8
115.04613	3.0
115.05520	3.6
117.07019	6.7
119.04955	20.4
119.08589	4.1
121.02858	7.5
123.04419	10.9
129.05486	20.8
132.08086	9.1
133.04979	22.5
133.06464	14.2
134.06049	10.5
135.04420	23.6
135.08035	2.9
136.07570	5.9
137.06009	3.8
137.09586	4.2
139.03912	23.4
145.04982	9.5
145.06529	12.5
146.06006	7.2
147.04414	100.0
148.04739	12.5
148.07561	18.0
149.08360	24.6
150.09145	9.7
152.07021	2.8
157.04964	20.4
160.07581	45.0
161.05965	15.1
162.05403	4.4
162.09152	13.9
163.03929	28.0
163.06020	3.9
163.07553	3.9
164.07143	3.3
165.05515	2.6
173.04646	3.2
175.06056	19.6
178.08644	12.2
181.05023	5.8
188.07076	59.9
189.05484	23.6
201.11241	6.0
202.01659	2.6
203.05515	2.8
206.08150	76.0
207.06509	7.8
224.09123	15.3
259.08044	2.5
276.10861	9.6
309.09708	5.5
334.13153	4.2
337.09143	23.4
352.14023	4.0
380.13385	38.2
394.07291	2.8
398.14487	82.2
399.14941	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	398.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51860	1.5
54.42680	1.7
55.01873	3.2
55.05490	7.2
56.05024	7.2
56.96555	2.5
59.07758	1.5
60.04506	5.3
65.03928	7.3
67.05499	13.4
69.03420	10.4
69.07047	1.8
70.06582	7.3
70.55331	3.3
70.55721	4.0
72.08151	2.6
72.27520	1.9
78.68919	1.5
79.05482	6.2
81.03429	5.3
81.04603	1.8
81.07039	3.3
83.04970	24.2
84.04504	22.0
84.08141	2.4
85.02897	14.7
86.09701	4.9
87.00818	3.2
89.03899	2.6
91.05473	23.9
93.03394	9.2
93.07023	4.6
95.04958	10.8
95.08621	3.0
97.02885	6.8
98.97586	2.7
99.04472	1.6
102.05550	2.8
103.05473	2.1
105.01836	3.1
105.07034	8.3
107.04956	34.9
107.08597	3.3
109.02864	4.1
109.06583	1.9
109.10149	6.4
110.07141	3.3
111.04436	35.2
115.03902	2.7
115.05427	4.6
116.98656	2.5
117.03363	4.6
117.07021	4.9
119.04935	32.1
120.08112	4.4
120.43971	1.6
121.02848	5.5
121.10129	2.3
123.04406	5.5
127.03872	6.1
129.05460	15.9
132.04419	1.7
132.08090	13.2
133.06470	11.5
134.06021	6.6
134.99654	1.8
135.04407	19.3
135.08069	3.7
136.07581	5.4
137.05992	2.9
137.09613	2.1
139.02888	2.5
139.03873	16.2
143.04936	2.6
145.02837	6.8
145.06480	18.9
146.03183	3.3
146.05989	22.6
147.04402	100.0
148.04730	5.5
148.07559	12.3
149.06020	4.3
149.08403	14.5
150.09163	11.7
157.04961	14.3
160.07564	37.8
161.05952	12.2
162.05530	6.1
162.09143	11.3
163.03883	45.5
163.07570	4.6
164.07025	4.0
165.05428	3.0
171.04436	7.6
171.07750	2.5
173.04709	2.7
173.11713	10.9
175.06021	6.3
177.05455	14.9
178.05818	4.6
178.08659	10.5
181.04967	3.9
188.07057	74.3
189.05518	13.1
189.07141	3.0
201.11179	3.0
203.05472	3.1
206.08133	58.2
207.06552	4.5
219.12268	2.5
224.09201	15.6
231.05037	1.6
276.10800	7.2
286.48572	1.8
309.09689	2.2
312.46869	1.7
334.12817	3.4
337.09201	11.8
352.13907	1.9
362.12341	2.9
380.13348	31.8
381.11987	1.8
398.14453	69.6
399.15961	10.6
399.21329	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	398.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01860	1.4
55.05492	1.4
56.05016	0.7
56.96555	0.8
57.03423	1.8
61.02914	1.7
62.67195	0.5
67.05495	1.0
69.03429	7.8
70.06596	3.3
71.04977	1.4
71.57880	0.7
72.08129	1.0
73.02890	1.6
81.03413	5.3
83.04966	3.7
84.04491	1.4
84.08139	1.3
85.02903	20.5
86.09701	1.9
87.00823	6.8
91.05469	4.0
93.03407	1.0
93.07036	1.6
95.04994	1.2
97.02896	9.7
98.97592	0.7
99.04443	3.2
103.05457	2.4
104.04972	3.6
105.01871	9.0
105.07011	0.8
107.04955	2.0
107.08567	1.1
109.02874	9.1
109.10171	0.8
110.07176	1.6
111.04436	1.9
115.07488	0.6
116.98592	0.7
117.01794	0.7
117.03360	0.7
118.06528	0.9
119.04974	2.7
119.08553	1.9
120.08108	3.5
123.04495	0.6
127.03911	16.9
129.05455	1.4
131.04910	4.6
131.08562	0.5
132.04449	100.0
133.04802	1.9
135.04384	1.0
136.07494	0.6
137.09599	1.4
139.03883	1.4
145.02858	1.1
145.04944	5.1
146.06004	1.0
147.03134	0.9
147.04404	10.8
148.04839	2.0
149.05962	0.7
150.05507	11.4
157.04979	1.1
158.99556	0.7
159.02908	1.6
160.07607	2.4
161.05981	1.3
162.09079	0.8
163.03923	1.6
163.07549	2.7
174.05473	0.7
177.05501	2.4
178.05786	0.7
184.07428	3.0
188.07071	2.9
189.05537	1.1
201.07895	0.8
201.11133	4.3
206.08144	3.6
213.03975	1.7
214.12621	0.6
224.09135	1.2
231.05026	2.2
265.07477	0.7
270.96524	0.6
283.08533	1.2
337.09140	1.3
380.13354	2.1
398.14529	4.2
398.22894	2.3
421.10452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2223
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03939	2.3
55.01860	1.7
55.05503	3.1
57.03436	5.1
57.07077	1.7
61.02917	3.7
63.01110	1.1
67.05500	6.9
69.03431	10.8
69.07076	9.2
70.13689	5.1
71.04991	2.4
75.01170	1.3
79.05486	5.4
81.03425	10.5
81.07059	16.2
83.04974	3.5
83.08618	1.7
84.96037	1.2
85.02910	32.0
91.05470	6.9
91.46439	1.1
93.07047	15.4
95.04959	3.3
95.08615	11.2
97.02901	10.3
97.06534	3.7
98.97602	2.9
99.04481	5.5
99.05029	1.0
105.07046	12.3
107.04945	2.5
107.08598	15.1
109.02875	4.9
109.06509	2.6
109.10172	7.5
111.04415	2.0
111.08092	1.5
115.03951	1.1
117.03394	3.1
117.07002	2.0
119.04847	1.2
119.08588	11.8
121.06499	3.9
121.10117	6.0
123.08064	2.1
123.11720	2.6
127.03931	6.2
127.07616	2.1
131.08556	4.8
133.06473	2.2
133.10124	10.5
134.99623	1.2
135.08084	1.6
135.11691	13.9
137.05908	2.2
143.08519	3.5
145.02834	6.7
145.04962	4.4
145.10135	3.8
147.08087	3.0
147.11713	10.2
149.09598	2.0
149.13243	3.9
151.07544	2.2
153.01759	1.4
157.10069	6.6
159.11711	7.4
161.09641	3.7
161.13278	3.3
163.14845	1.2
171.11604	2.1
173.09871	1.4
173.13303	3.2
175.11200	3.3
175.14822	7.2
177.05472	11.1
179.10620	1.8
187.14871	2.9
189.16426	7.3
199.14812	4.8
205.15858	6.0
217.15836	7.1
235.16933	100.0
236.17274	4.5
241.10777	1.7
310.12311	1.2
373.15295	2.6
374.15509	2.1
381.31488	1.3
397.16684	1.9
397.25394	2.2
415.16559	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1648
Annotation	Predurallone
Peak:m/z	Relative Intensity
55.05521	1.4
56.02439	1.0
57.90180	1.0
65.03947	1.2
67.05505	2.5
69.03429	1.7
69.07056	2.9
75.73556	0.9
79.05480	3.2
81.07055	11.7
82.07363	1.4
83.05038	1.0
85.02892	2.1
91.05488	7.9
93.07054	2.3
95.04971	1.3
95.08617	6.7
97.02856	1.2
98.21619	1.5
98.97562	1.2
103.05489	2.1
105.07076	2.4
107.04949	2.2
107.08606	1.8
109.06523	2.3
109.10129	1.7
115.05447	2.3
119.04953	3.5
119.08555	1.0
122.03639	4.6
128.06210	1.5
129.06998	4.8
131.04991	2.2
131.08571	3.6
133.06487	1.3
137.05983	66.8
137.13252	1.6
141.06984	3.3
142.07831	1.2
143.08528	2.8
145.06433	2.2
147.04388	2.3
149.06004	3.7
151.07549	7.0
152.06198	1.3
153.05363	1.0
153.07047	1.7
154.07880	1.1
155.08542	3.0
157.06508	3.4
157.10127	1.5
158.07367	1.1
159.08078	4.4
161.05991	10.2
161.09592	2.7
165.07005	2.8
167.08565	2.3
168.05583	1.2
169.06479	2.1
169.10046	1.3
171.08029	2.7
172.08852	1.7
172.95262	1.8
173.09682	1.7
175.07553	2.1
177.05470	4.0
181.06580	2.2
182.07306	4.6
183.08066	3.7
184.08879	2.8
185.05939	2.6
185.09566	7.6
187.07549	5.4
187.11220	2.0
187.76096	1.1
187.88362	1.0
189.09114	2.0
189.12822	1.5
189.16504	1.1
191.07016	4.8
192.37758	1.0
194.07343	1.1
195.08078	2.1
197.09624	7.8
198.06738	10.8
199.07509	7.6
200.08313	3.0
201.09134	3.7
202.07681	1.1
209.05940	1.1
210.06778	3.2
211.07605	3.0
212.08366	3.5
213.09102	18.3
215.08777	1.6
215.10672	5.3
217.15944	3.1
225.09103	9.6
227.10701	1.3
231.08057	1.8
237.08778	1.2
242.09410	1.6
243.07840	0.9
243.10178	16.6
245.09515	1.3
245.11755	2.2
247.07494	1.6
249.09204	2.3
255.10187	3.0
257.09601	3.0
259.07599	1.6
259.11154	1.3
260.08331	2.2
261.09131	2.1
263.07071	1.2
264.07852	1.1
265.08582	2.0
271.07568	2.2
273.11261	50.3
275.10687	1.4
276.07974	2.8
277.08591	3.2
277.12265	2.3
278.09366	1.7
285.09244	3.1
286.09824	1.4
287.07101	1.5
288.07773	2.1
289.08743	3.7
289.12109	2.4
290.09274	1.7
291.06897	1.6
291.10184	5.2
292.07468	2.2
292.10837	1.4
293.08029	4.2
293.11713	3.3
301.08737	2.3
301.11929	1.3
303.10037	5.4
305.08157	1.9
305.11716	2.9
306.08755	1.3
307.09766	7.6
307.12964	1.4
308.10516	4.2
309.11246	2.3
310.08163	1.4
314.08804	1.2
315.10236	1.8
317.11807	3.5
319.09760	1.7
319.13187	1.3
320.10339	1.7
321.11395	6.3
321.14700	1.1
325.10858	2.0
333.11154	3.7
334.11908	2.4
335.12738	5.2
336.13577	1.8
337.14386	1.4
339.12442	2.8
347.12689	1.5
349.14267	6.4
351.12354	8.9
353.13828	2.6
354.14597	13.7
361.14517	1.6
365.14169	1.6
367.15387	3.2
379.15460	18.8
397.16501	100.0
398.16748	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	397.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82414	1.4
51.74744	1.2
55.01872	2.1
55.05513	2.9
56.96555	1.3
57.03434	3.7
61.02926	1.8
67.05492	3.5
69.03433	9.2
69.07062	5.6
70.03745	2.8
70.04161	5.8
71.04980	1.9
79.05495	5.8
81.03429	7.6
81.07053	12.9
83.04967	5.1
83.08648	1.9
85.02908	25.5
85.06497	1.2
89.72356	1.2
91.05479	11.5
93.07044	18.5
95.04964	4.6
95.08602	6.9
97.02885	8.5
97.06533	2.0
98.72541	1.4
98.97580	1.8
99.04463	4.6
105.07043	15.3
107.04947	11.4
107.08608	11.8
108.05744	3.5
109.02917	3.6
109.06502	2.5
109.10150	7.1
111.08043	2.0
115.05455	4.7
117.06994	3.3
118.04158	2.0
119.08569	10.4
121.06519	3.9
121.10136	4.2
123.08062	3.1
123.11752	1.8
125.11147	1.3
127.03934	6.2
128.06229	3.9
129.07008	1.4
130.04170	3.6
131.04938	2.6
131.08554	4.8
132.05698	1.6
133.06471	6.7
133.10152	8.4
134.99689	1.7
135.04407	3.5
135.08072	2.0
135.11691	10.3
136.05226	17.2
137.86555	1.3
141.06999	2.0
143.08553	3.9
145.02847	2.4
145.04980	5.0
145.06509	2.3
145.10147	4.3
147.08044	2.9
147.10706	1.8
147.11705	11.1
149.09621	3.1
149.13303	3.4
151.07549	100.0
152.07854	2.0
156.05722	1.7
157.10168	2.9
159.11711	6.1
160.05208	20.7
161.06015	7.6
161.09595	4.0
161.13237	2.9
163.07549	2.5
169.06474	2.3
171.08054	4.6
173.13281	3.7
175.07552	70.1
175.14842	5.8
176.07927	2.1
177.05461	3.8
179.03458	1.7
184.05226	3.7
186.65755	1.5
187.14861	2.2
189.16374	8.5
191.08553	1.8
199.07545	27.5
199.14839	2.5
202.07780	2.9
203.08540	4.4
205.15814	2.6
215.08618	5.5
216.09210	1.5
217.10173	1.7
217.15901	7.6
218.07304	2.0
219.08105	5.1
230.07262	2.9
231.08029	7.8
232.08737	2.7
233.09604	4.9
235.16931	90.3
241.10715	1.4
243.08113	2.7
244.08839	2.4
245.09674	5.2
246.10388	4.8
247.07674	6.3
248.08354	2.5
259.07504	3.8
260.08359	2.5
261.09167	5.7
262.09882	4.4
263.10693	5.4
273.09082	9.9
274.09869	8.7
275.07483	2.1
275.10635	7.0
276.07874	2.5
277.08777	1.8
277.12238	9.2
278.12976	2.4
279.10159	1.6
289.08551	3.7
290.09384	3.5
291.10178	17.3
292.10736	1.9
305.08435	0.8
305.11728	28.7
306.12515	29.3
307.09680	4.6
307.12915	2.0
309.14984	3.9
322.11905	2.8
337.14337	38.5
338.14594	2.5
373.15463	2.7
397.16534	1.5
397.25833	1.6
407.55576	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11459	2.1
66.71038	2.1
67.05477	2.3
69.89082	15.1
79.05486	3.2
81.07047	3.5
87.51999	2.1
91.05489	4.5
95.04996	2.6
95.08591	3.7
97.02908	2.5
98.21438	4.2
105.07038	7.2
107.04959	7.6
108.05758	4.1
109.03832	2.6
121.06533	2.6
128.06261	5.1
129.06943	2.5
133.06464	4.6
135.04428	3.7
136.05147	11.4
145.06529	3.0
147.11612	3.5
151.07538	100.0
160.05211	18.4
161.05992	9.5
169.06467	2.5
175.07552	62.1
183.10211	2.5
184.05226	3.7
199.07567	24.1
202.07735	3.2
203.08598	5.3
231.08113	3.7
245.09648	6.6
247.07507	5.3
259.07657	4.5
260.08185	3.2
261.09259	5.9
262.10043	3.7
263.10635	4.6
273.09216	7.9
274.09869	10.2
275.07019	3.1
275.10471	4.7
277.12238	7.8
290.09308	4.2
291.07407	2.5
291.10025	11.7
305.11636	19.5
306.12540	25.9
309.14792	2.7
309.66043	2.5
322.12003	4.9
337.14304	29.7
342.11014	2.6
363.83231	2.8
397.18457	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	397.1645
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
51.11897	1.2
55.05494	2.4
56.96540	1.3
59.06074	1.1
67.05476	4.5
69.03400	2.2
69.07049	2.1
69.37557	4.5
69.37979	7.5
70.06605	1.5
71.04964	1.9
79.05508	6.0
81.03374	1.4
81.07026	5.1
83.04964	1.3
83.08578	1.4
85.02888	3.2
85.06520	2.1
86.09661	4.1
91.05486	12.7
93.07032	6.3
94.04152	2.5
94.81531	1.1
95.04955	2.1
95.08578	3.4
97.02860	2.6
98.09496	1.3
101.00867	1.5
103.05447	1.4
105.06993	5.4
107.08609	5.8
109.02849	1.9
109.06484	2.8
109.10143	2.1
115.05405	2.0
117.06961	2.3
119.01897	6.1
119.04936	7.0
119.08566	1.7
121.06484	1.3
121.10065	1.9
122.03603	4.5
128.06209	2.5
129.06943	4.7
131.01904	1.5
131.04900	2.4
131.08536	4.0
133.10098	2.7
135.07983	1.5
135.11655	2.8
137.02985	2.0
137.05974	70.2
141.06921	2.4
143.08562	2.3
144.05695	2.4
145.09999	1.4
147.04352	3.9
149.05937	4.1
151.07533	10.6
153.06914	2.4
154.07748	1.8
155.08464	3.1
157.03279	1.7
157.06418	2.2
157.10086	1.5
158.07158	2.6
159.08017	3.3
161.02986	2.3
161.05980	10.3
161.09557	3.6
165.06923	3.6
167.08479	2.7
169.06479	2.0
170.07225	1.9
171.07950	5.5
172.05208	1.3
172.08731	2.4
173.02910	1.4
173.09576	2.1
175.07478	5.1
177.05392	1.3
181.06419	2.7
182.07195	5.5
182.08659	1.5
183.07947	2.2
184.08752	2.9
185.06085	1.9
185.09608	8.1
186.06642	1.9
187.07443	3.6
187.11201	2.4
188.08206	1.5
189.09026	2.6
189.12675	2.2
191.06953	5.4
194.07259	2.1
195.08054	1.7
197.05972	1.7
197.09586	8.6
198.06766	11.8
199.07588	6.6
199.11134	1.7
200.08295	2.7
201.09055	2.6
207.46030	1.4
210.06741	3.3
211.07530	4.0
212.08279	1.9
213.09120	19.3
215.10680	6.6
217.08418	1.8
217.10316	2.2
217.15736	1.9
222.83789	1.5
224.08344	1.8
225.09135	10.2
227.10693	1.5
229.10194	1.6
231.08052	1.4
232.08185	1.2
233.09618	1.8
235.11555	1.8
235.16824	2.5
242.09315	2.0
243.08073	2.4
243.10193	14.3
245.09512	2.5
245.11644	2.4
246.10390	1.9
248.08173	2.5
253.12843	7.7
255.10249	6.2
257.09579	3.1
258.10284	1.9
259.07553	2.1
261.09021	4.6
262.09796	2.0
263.06976	1.8
264.07645	1.7
265.08511	1.8
265.12775	3.3
271.07379	3.1
271.13800	2.8
273.11261	45.7
274.09772	1.6
275.06995	2.0
275.10440	4.0
276.07751	3.0
277.08463	5.9
277.11908	2.7
278.09131	1.4
283.13779	1.7
285.08984	3.4
286.09787	2.0
287.10593	1.7
288.07669	2.0
289.08728	2.6
289.11993	2.6
290.09216	1.4
291.10077	6.1
292.07364	2.0
293.08054	2.4
293.11566	3.8
294.08707	1.4
295.13922	2.8
302.09351	3.1
303.10184	7.5
305.07974	2.4
305.11481	2.8
306.08896	2.4
307.09738	8.6
307.12949	2.0
308.10217	2.4
309.10992	2.1
317.11609	4.0
319.09720	2.6
319.13242	2.0
320.10159	1.7
321.11160	6.6
325.10626	2.3
329.11618	1.4
333.10846	4.3
333.61276	1.2
334.11780	3.0
335.12683	6.6
336.13171	4.0
339.12106	2.2
349.14148	4.3
351.12204	12.5
353.13593	3.6
354.14642	17.9
355.16019	10.7
361.14139	2.1
367.15201	5.2
373.17160	9.9
379.15353	13.6
397.16458	100.0
398.16882	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	397.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68901	1.3
65.03918	1.7
67.05499	2.8
69.07047	2.3
71.05032	1.5
79.05482	3.2
79.66813	1.4
81.07056	4.7
85.02927	1.5
91.05478	7.8
93.07056	3.3
95.04945	2.0
95.08606	3.7
98.20711	2.6
105.07079	7.8
107.04974	10.2
107.08575	3.6
108.05766	2.9
109.10167	1.8
113.03846	1.4
115.05465	6.3
119.08607	2.9
121.06487	2.3
121.10143	2.3
128.06241	4.2
130.04178	2.5
131.04961	2.6
131.08592	1.9
132.05721	1.4
133.06471	6.6
133.10161	1.7
135.04449	4.2
136.05220	15.0
141.07004	1.8
145.06491	3.1
147.08043	1.6
151.07549	100.0
152.08122	1.6
160.05211	21.0
161.06003	8.3
161.09653	2.2
161.13353	1.8
171.08069	3.8
173.06102	1.5
175.06032	3.4
175.07555	66.5
176.08098	2.1
184.05217	4.0
194.25356	1.4
199.07527	25.7
202.07825	4.4
203.08595	5.9
215.08568	3.3
216.09476	1.9
219.08025	4.7
230.07295	1.5
231.08049	5.9
232.08980	2.7
233.09680	3.0
235.11136	1.7
243.08043	3.5
245.09578	4.9
246.10287	7.2
247.07532	6.4
248.08350	3.4
259.07571	3.7
260.08325	2.2
261.09131	6.1
262.09949	3.1
263.10672	5.4
273.09116	6.6
274.09915	11.5
275.07376	2.4
275.10703	6.1
277.12146	8.1
278.12988	1.7
289.08734	2.4
290.09375	4.0
291.10123	17.0
293.07880	1.6
305.11700	21.4
306.12494	25.8
307.09598	5.3
309.11588	2.5
309.15045	2.9
322.12082	2.7
337.14362	28.7
355.76605	1.4
397.16687	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1644
Annotation	Predurallone
Peak:m/z	Relative Intensity
53.03925	1.0
55.05473	1.0
67.05479	3.2
69.03410	2.3
69.07043	1.4
71.04981	2.1
71.56667	0.9
71.57075	1.1
79.05465	2.5
81.03385	4.5
81.07058	4.8
85.02890	3.0
86.09656	0.9
91.05482	9.1
93.07055	2.4
94.04146	2.0
95.04961	2.3
95.08574	3.0
96.26935	1.0
97.02873	3.6
97.06462	1.2
103.05437	2.2
105.07001	3.8
107.04941	1.7
107.08604	4.7
109.02834	2.2
109.06488	1.0
109.10146	5.9
111.04388	1.4
115.05395	1.5
117.07008	1.1
119.04961	5.3
119.08589	4.6
121.02873	7.5
121.06473	1.0
121.10110	2.1
122.03653	5.1
123.08056	1.4
124.05116	1.0
125.06020	1.0
125.09661	0.9
127.03864	4.1
128.06212	1.9
129.07013	5.5
131.04903	1.5
131.08553	4.9
133.06393	1.6
133.10103	2.1
135.04372	1.0
135.11656	6.0
137.05971	69.5
137.09521	1.5
141.06961	3.5
142.07681	1.0
143.08466	1.3
144.05650	2.0
145.06393	1.4
146.05963	1.0
146.07225	1.1
147.04364	3.5
147.08009	1.3
147.11719	1.3
149.05951	3.5
149.09607	1.5
151.07550	8.4
152.06194	1.2
153.06960	1.9
154.07642	1.0
155.08487	3.0
157.06448	3.1
158.07187	1.6
159.08057	5.9
160.05212	1.1
161.02892	1.1
161.06010	6.7
161.09552	3.2
163.03868	4.6
165.06969	3.5
165.54305	1.0
166.12262	1.3
167.08475	1.1
169.06418	3.0
169.10109	1.1
170.07253	1.8
171.08090	4.8
172.05104	1.5
172.08783	2.6
173.09589	2.2
175.07520	3.6
175.11092	1.1
175.14767	2.0
177.05472	1.4
181.06421	2.1
182.07208	4.3
183.08000	2.8
184.05112	1.1
184.08856	2.4
185.05965	2.3
185.09610	6.9
186.06769	1.0
187.05934	3.4
187.07521	5.3
187.11119	1.1
189.09012	3.4
189.12659	1.7
191.06979	5.5
193.15826	2.7
194.07224	2.4
195.07997	1.8
197.05849	1.1
197.09654	6.1
198.06761	10.2
199.07510	7.3
199.11012	1.4
200.08232	2.6
201.09029	3.5
202.07716	2.0
203.10558	1.5
210.06746	2.4
210.14879	1.8
211.07449	2.4
211.16821	4.1
212.08199	3.1
213.07274	1.3
213.09099	16.6
215.08739	1.5
215.10599	4.8
217.08427	1.6
217.15791	1.5
219.08081	1.1
224.08215	1.2
225.09084	8.7
229.10240	1.4
231.07939	3.1
231.09998	1.3
235.16840	1.1
243.08012	1.7
243.10164	13.9
245.09579	1.8
246.10158	1.1
247.07584	1.2
248.08218	1.3
255.07585	1.2
255.10043	5.2
257.09561	2.5
258.06839	1.2
258.10178	1.1
259.07495	1.9
259.11148	1.8
260.08182	2.4
261.09012	3.9
262.09668	1.8
263.10577	1.6
264.07800	2.3
265.08499	1.9
267.10422	1.0
271.07458	2.1
273.11267	42.6
274.06110	1.4
274.09134	1.1
275.10602	3.0
276.07721	3.0
277.08606	2.3
277.12164	2.1
278.09268	1.9
285.08997	2.5
286.09677	1.8
287.07013	1.7
287.10779	1.3
288.08057	1.9
289.08438	2.9
289.11923	2.2
290.09219	2.2
290.12439	1.1
291.06882	1.1
291.10071	5.3
292.07193	3.1
292.10513	2.2
293.07956	2.9
293.11636	2.6
301.08420	2.6
301.11795	2.1
302.09329	2.1
303.10010	3.6
305.08087	2.3
305.11658	3.7
306.08722	2.1
307.09726	8.7
308.10413	4.5
309.11099	1.7
317.11633	2.9
318.12140	1.0
319.09564	2.4
319.13058	2.0
320.10205	2.0
321.11255	6.9
322.11807	1.4
325.10513	2.2
333.11072	2.9
334.11887	1.4
335.12515	5.0
336.13293	2.3
337.10693	1.4
337.14398	1.7
339.12131	2.6
348.13452	1.6
349.10483	1.6
349.14255	5.8
351.12253	10.7
353.13721	3.7
354.10638	1.3
354.14557	17.5
361.14175	1.6
365.13611	1.6
366.14633	1.6
367.15161	3.7
373.16846	1.4
379.15393	13.0
397.16400	100.0
397.25513	5.1
398.16495	5.1
415.17838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01859	0.6
57.03436	0.9
61.02931	0.7
63.02373	0.3
65.03941	2.7
65.13956	0.3
67.05499	0.7
69.03429	5.4
69.07053	0.5
71.05003	1.9
71.59291	0.4
73.02885	0.4
79.05503	0.3
81.03421	8.3
81.07065	1.2
83.04978	0.7
85.02908	16.4
87.04453	0.3
91.05483	100.0
92.05820	2.7
93.07059	0.6
95.08598	0.6
97.02896	3.3
99.04456	8.1
103.03947	13.7
104.04275	0.3
105.07031	3.2
107.04987	0.3
107.08582	1.0
109.02884	7.9
109.06522	0.3
109.10149	1.5
111.04462	0.6
115.03958	0.3
116.68881	0.3
117.03355	0.4
117.07014	0.3
119.08558	1.6
121.06524	0.3
123.08157	0.3
125.06007	0.5
127.03922	28.7
128.04210	0.4
129.07034	1.4
131.08617	0.6
133.06499	0.6
133.10144	1.6
135.11673	0.3
137.05981	1.0
137.09648	0.4
143.08583	1.1
145.02925	0.6
145.04982	3.4
145.06435	0.6
145.10153	0.7
147.07974	0.5
149.09650	0.5
151.07576	0.3
153.06981	0.3
157.06532	0.5
157.10129	0.6
159.08098	0.6
159.11754	0.4
161.05995	0.4
163.06020	0.5
171.08096	1.0
173.06024	0.3
175.07600	0.9
175.11273	0.7
176.10416	0.4
177.05458	1.6
187.06035	4.3
189.16397	0.4
193.08630	0.4
199.07556	1.9
205.07060	0.6
217.08688	2.5
217.12234	3.5
217.15906	1.0
219.17450	0.3
235.13281	5.8
235.16873	0.6
236.13490	0.3
253.07124	0.9
256.83646	0.3
271.08151	0.7
275.45386	0.3
295.11868	0.4
360.47202	0.4
379.14151	0.3
397.17780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01872	0.6
55.05511	0.8
55.11349	0.3
56.96570	0.8
57.03434	0.3
63.02377	0.4
67.05490	0.7
69.03437	6.2
69.07069	0.3
70.06588	0.7
71.05003	0.7
71.60307	0.3
72.08179	0.2
74.06129	0.3
77.03790	0.3
79.05476	0.4
81.03419	9.7
81.07072	0.8
83.04952	0.5
83.08620	0.4
84.04521	0.9
84.08135	0.3
85.02920	1.6
85.06538	0.3
85.07687	0.3
86.09693	0.3
87.00838	1.2
87.04475	0.9
89.03921	6.7
91.05476	1.8
93.07038	0.4
94.07980	0.3
95.04976	0.7
95.08620	0.6
97.02891	1.1
98.97594	1.2
99.04459	8.1
100.11271	2.6
102.70016	0.3
103.05455	0.3
105.03370	0.4
105.07019	0.8
106.04192	0.3
107.04926	0.4
107.08627	0.4
109.10163	0.3
110.07200	0.5
111.04452	0.4
116.07102	0.4
116.98650	0.7
117.03391	20.9
119.04945	0.5
119.08598	0.7
121.06526	0.4
122.01189	0.3
123.08075	0.3
125.98888	0.2
127.03854	0.4
131.04947	0.3
131.08571	0.5
133.10143	0.4
134.03622	1.2
134.99718	0.4
135.04425	2.0
135.11705	0.5
136.07573	0.4
137.06017	0.4
137.07951	0.4
143.08525	0.3
145.02855	54.1
145.10129	0.5
146.03252	1.0
147.04405	0.5
147.11684	0.4
149.05980	6.8
151.99286	0.3
154.12268	0.8
159.11809	0.3
161.06013	1.6
162.03136	0.5
162.80003	0.3
163.03909	1.2
175.07616	0.3
177.05481	100.0
178.05830	2.6
186.05525	1.9
189.09154	0.5
195.06512	2.9
199.14845	0.4
203.05504	1.0
209.16438	0.4
217.15839	0.7
235.09705	0.4
235.16856	0.6
237.02798	0.4
281.10754	0.5
293.10309	1.3
379.10269	1.1
397.11295	8.3
397.15903	0.4
397.22318	0.4
397.31723	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	397.147
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
55.05504	0.7
57.09880	0.4
58.39592	0.4
67.05510	0.9
69.03423	1.4
70.06586	0.9
70.89288	0.6
70.89630	0.8
73.02916	0.9
75.77995	0.4
79.05487	0.5
83.04984	1.1
84.04500	1.3
85.02903	1.8
85.06551	0.4
86.09708	0.7
91.05492	2.6
93.03386	0.5
93.07028	0.6
95.04965	1.2
95.08628	0.5
97.02880	0.6
99.04478	0.5
105.07025	1.0
107.04954	1.2
107.08590	0.4
111.04417	2.3
116.98594	0.5
117.03361	0.5
119.04938	4.1
120.08095	0.5
122.86617	0.4
123.04427	0.6
127.03923	0.8
129.05495	0.9
132.04453	1.8
133.06535	0.9
134.06010	1.1
135.06387	0.6
139.03941	0.8
145.02853	2.0
145.06543	0.7
145.10085	0.6
147.04419	20.0
148.04811	0.8
148.07584	0.8
149.08466	0.6
157.04976	0.8
160.07584	2.0
162.09116	0.6
163.03932	1.2
163.07448	0.5
175.06071	0.7
177.05452	3.4
178.08682	0.8
185.04248	1.5
188.06999	2.3
189.05411	1.1
205.06911	1.0
206.08107	2.3
217.15897	1.0
219.06354	0.7
224.09267	0.5
234.08603	7.6
235.09373	4.9
236.12839	1.0
337.08911	0.4
380.13422	1.3
397.14722	100.0
398.14923	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	397.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.36486	0.3
57.43069	0.3
63.02394	0.5
69.03426	4.2
70.91915	0.8
70.92271	0.3
71.04980	0.7
81.03418	9.5
87.00835	1.1
87.04476	0.6
89.03403	0.5
89.03924	6.4
91.05479	0.6
95.04920	0.4
97.02917	0.2
99.04458	8.4
99.05099	0.4
103.03946	0.3
103.05477	0.5
105.01839	0.3
117.03383	22.6
121.10164	0.3
134.03603	1.7
135.04436	1.7
145.02850	53.9
146.03168	1.1
149.05983	7.2
158.06041	0.5
163.03908	1.1
177.05472	100.0
178.04512	0.3
178.05846	1.8
186.05484	1.8
195.06519	3.0
203.05496	1.3
235.08623	0.6
236.07870	0.3
293.10263	1.9
379.10361	1.8
397.11301	6.1
398.11700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88948	0.4
54.47364	0.4
55.60169	0.5
69.89520	2.7
89.72290	0.4
127.03896	1.3
148.01337	1.0
149.02104	17.9
166.50676	0.5
167.03174	1.0
177.01559	0.6
185.02928	1.2
185.04315	1.2
227.05359	2.1
271.04266	4.9
311.07385	6.7
353.08444	21.7
379.06436	0.7
397.07437	100.0
398.07642	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	0.7
57.03425	0.8
65.97916	0.4
69.03420	1.4
71.60413	0.7
81.03398	1.0
82.14926	0.4
85.02886	1.6
97.02894	0.4
98.64468	0.5
98.97601	1.0
99.04498	0.5
109.02848	1.8
116.98598	0.7
118.08617	0.5
119.01945	0.5
127.00021	0.6
127.03931	2.4
131.00139	0.5
132.95815	0.7
134.99620	0.7
147.04433	0.7
148.01324	1.0
149.01180	1.1
149.02107	17.4
167.01874	0.8
167.03198	1.0
175.04449	0.4
177.01634	0.6
177.07828	0.5
185.01355	1.0
185.02943	17.4
186.03094	1.3
186.96780	0.7
189.00812	0.6
190.98656	0.5
195.66466	0.5
198.96877	0.5
203.04002	7.4
208.04539	1.0
209.02960	1.1
217.78474	0.5
219.01773	0.5
223.04501	0.5
227.03639	3.4
227.05853	0.6
228.04158	0.5
233.03029	0.7
234.98904	0.9
235.04642	0.7
235.06862	0.6
237.02719	0.9
239.03896	1.0
241.05475	0.7
245.02878	0.8
245.05109	0.7
251.04001	2.1
253.05614	1.8
263.04080	2.5
264.47513	0.5
269.05289	0.5
271.04306	5.3
275.04065	0.7
276.99991	1.9
281.05145	1.0
293.05017	1.8
311.06470	11.1
312.06177	0.6
329.07007	1.1
337.08264	1.0
337.15186	0.5
353.08420	22.6
355.09058	0.7
379.06113	0.7
397.07300	100.0
398.07724	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	396.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.7
56.96566	36.2
58.10149	11.9
67.05515	36.6
69.07072	25.8
71.60222	11.8
79.05498	16.5
81.07061	35.5
83.04986	25.0
83.08652	14.6
91.05479	48.7
93.07043	46.1
95.04962	11.5
95.08616	34.0
105.07018	70.0
107.08588	66.1
109.06538	12.9
109.10150	63.1
112.95643	11.2
119.08597	100.0
121.10150	49.1
123.08169	11.2
126.09169	33.1
133.10147	20.9
137.06020	17.6
145.10146	23.8
147.11691	79.3
149.13188	11.4
151.07576	13.5
175.11205	47.8
193.03743	13.1
193.12308	45.7
211.13354	14.1
213.36488	11.9
253.14297	80.7
397.19736	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	396.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.05516	68.2
70.56377	0.7
70.63949	2.7
77.96725	0.7
81.07063	0.9
83.04987	90.2
84.05323	1.0
89.03912	4.5
91.05488	2.1
92.90888	0.7
93.07057	1.1
102.11388	0.8
103.05452	1.3
117.03391	16.6
119.04945	1.6
121.05647	1.6
121.06515	23.5
135.04445	1.7
138.42627	0.6
141.44743	0.7
145.02858	48.0
146.03186	1.3
149.06006	5.7
151.07585	7.6
152.46674	0.9
177.05486	100.0
178.05852	3.5
186.05499	3.4
216.29709	0.7
246.11258	11.0
259.09683	2.7
290.80484	0.9
311.27536	0.8
314.13809	9.3
334.80521	0.8
396.18082	91.4
397.18567	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	396.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76273	1.1
53.03930	4.6
55.01872	9.9
55.05511	1.5
57.03447	7.3
59.05008	1.6
61.02926	5.6
67.05504	9.9
68.99781	2.3
69.03432	32.5
69.09210	1.0
69.39782	2.7
69.40200	7.7
71.04980	6.6
73.02905	6.7
73.78275	0.9
79.05467	1.5
81.03421	28.1
81.07057	2.7
83.01331	1.5
83.04961	1.3
84.04516	1.5
85.02908	100.0
87.00832	39.9
87.04456	1.3
87.32927	1.0
91.03946	2.1
91.05482	3.5
95.04960	1.1
95.08604	6.2
97.02894	48.3
98.20741	2.1
99.04461	16.5
104.05338	1.7
105.01868	79.9
105.07021	2.1
107.08581	2.4
109.02881	30.0
109.10159	12.1
110.07142	1.0
113.09594	3.1
115.03955	1.8
117.01875	4.0
119.05000	1.5
119.08580	3.4
120.08085	4.1
121.10136	1.2
121.34071	1.0
127.03921	92.3
129.01823	4.0
130.60541	1.3
131.10681	15.4
132.08043	1.1
137.05984	5.1
137.09573	1.4
145.04961	51.6
147.02863	3.1
148.21190	1.1
155.10635	2.4
157.10071	1.4
159.02901	19.6
168.25349	1.3
173.11726	19.1
175.07513	1.0
177.05444	1.6
189.03920	3.1
197.11775	1.7
199.13116	1.2
206.10088	1.3
213.03951	4.8
231.05008	28.4
249.06088	10.7
251.12172	3.5
255.09932	1.3
265.15588	1.2
269.10077	1.8
273.11478	3.9
279.11871	1.4
287.11166	1.9
307.09821	2.0
343.13644	2.8
354.14539	1.4
361.14969	16.7
397.16632	7.1
400.96460	1.2
415.68777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.05512	62.1
56.05839	1.1
69.07072	0.6
79.03007	0.6
81.07063	0.8
83.04983	100.0
84.05316	0.8
89.03928	1.5
91.05486	3.6
91.25259	0.5
93.07062	5.0
94.62343	0.6
95.04975	1.1
103.05462	3.2
117.03385	8.5
121.06508	26.8
135.04453	1.1
138.09109	0.7
145.02841	28.7
149.05986	2.8
157.28926	0.5
177.05470	85.2
178.05826	1.2
186.05524	1.5
194.01331	0.7
209.51013	0.5
216.39061	0.6
229.18213	0.6
233.11902	0.7
259.09674	31.7
260.09915	0.8
261.52905	0.6
269.48663	0.6
314.13858	15.9
319.40665	0.6
362.42682	0.7
379.68958	0.6
396.18063	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	395.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95980	0.6
65.97048	0.6
66.08085	0.5
69.03430	0.7
69.07477	0.5
70.85569	1.8
85.02891	1.5
97.02879	0.6
98.97574	0.7
115.38804	0.6
140.92310	0.5
145.04948	0.7
147.04407	1.4
181.00296	0.6
185.04251	3.4
217.04639	0.9
232.07071	9.5
233.07832	6.0
364.11356	2.0
395.13126	100.0
396.13477	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.331
Annotation	Dehydroergosterol
Peak:m/z	Relative Intensity
54.85130	4.1
55.05480	8.1
57.07067	12.1
68.65583	4.0
69.07069	100.0
70.63734	15.7
80.02177	4.7
81.07052	11.5
83.08631	24.1
91.01263	5.2
93.89941	4.7
95.08609	10.6
99.97932	4.8
107.08578	8.2
109.10104	5.3
125.13271	7.7
185.13310	6.9
187.14758	4.9
197.13264	6.0
251.17813	11.2
293.22632	9.4
395.21054	6.1
395.28464	6.0
395.33044	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	395.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03944	1.2
53.85020	0.1
55.01877	0.2
57.03431	0.1
65.03944	0.9
67.01856	1.1
67.05494	0.2
69.03426	2.9
69.07077	0.3
69.57108	0.2
69.57507	0.9
71.04989	0.7
71.40726	0.1
81.03414	5.0
81.07053	0.6
83.08646	0.2
85.02904	2.4
87.00826	1.0
91.05477	9.2
92.05816	0.2
93.07039	0.5
95.04984	0.2
95.08602	1.0
97.02887	2.8
98.20747	0.3
99.04465	1.4
102.29263	0.1
105.07010	0.6
107.08576	0.7
107.61246	0.2
109.02877	6.9
109.10150	0.5
110.03205	0.3
119.04937	23.8
119.08595	0.6
120.05260	0.6
121.06489	0.4
121.10139	0.5
123.11718	0.2
127.03919	4.2
131.08565	0.2
133.10130	0.4
135.08028	0.2
135.11641	0.2
135.33768	0.1
145.10143	0.3
147.04402	100.0
148.04744	2.4
149.13257	0.5
159.11700	0.3
161.09628	0.6
163.11159	0.2
163.14819	0.3
165.05460	2.9
175.14775	0.2
177.16422	0.5
187.14767	0.3
189.12730	0.4
189.16368	0.3
191.17969	0.3
203.14246	0.2
203.17969	0.3
205.15883	0.9
257.58432	0.1
291.08594	2.4
309.09592	0.2
335.07483	0.2
377.08575	0.9
377.31949	0.3
395.09692	4.1
395.21857	0.2
395.33063	1.7
396.10245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
54.41510	0.2
57.03423	0.2
64.27808	0.2
65.03938	0.7
67.01849	0.8
68.99764	0.3
69.03426	3.2
69.07075	0.3
69.42049	1.5
69.42461	0.4
71.04985	0.8
81.03425	4.9
81.07037	0.4
85.02909	2.1
86.09628	0.2
87.00829	1.0
91.05479	9.6
92.05786	0.2
94.50826	0.2
95.04948	0.3
95.08608	0.4
97.02884	3.3
98.20746	0.4
99.04451	1.3
105.07012	0.5
107.08620	0.4
109.02133	0.3
109.02877	6.4
109.10183	0.3
119.04944	23.4
119.08610	0.3
120.05271	0.5
121.10094	0.3
127.03916	4.8
128.60359	0.2
131.08595	0.2
145.04942	0.3
145.10069	0.3
147.04408	100.0
148.04742	2.4
159.11681	0.3
165.05455	2.4
252.28128	0.2
291.08612	2.3
309.09766	0.4
377.08704	0.9
395.09775	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	395.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01875	0.2
57.03439	0.2
61.02935	0.8
65.03931	0.8
67.01869	0.7
67.05505	0.3
68.99788	0.9
69.03426	2.2
69.07068	0.5
69.54188	1.3
71.05000	0.6
79.05481	0.3
81.03423	4.5
81.07065	0.7
85.02910	2.8
87.00821	0.8
91.05485	9.0
92.05785	0.2
93.07045	0.7
95.08598	0.9
97.02889	2.3
98.20783	0.3
99.04463	1.5
105.07025	1.0
107.08598	0.9
109.02883	6.0
109.10156	1.0
112.86289	0.2
119.04947	23.8
119.08598	0.7
120.05283	0.5
121.06496	0.5
121.10156	0.6
127.03915	4.7
129.01833	0.7
131.08586	0.2
131.62694	0.1
133.10143	0.4
135.08003	0.2
135.11671	0.3
145.04944	0.3
145.10086	0.3
147.04414	100.0
148.04747	2.1
149.09621	0.2
149.13300	0.4
161.09589	0.9
161.13301	0.4
163.11240	0.2
163.14806	0.5
165.05475	2.2
171.11768	0.2
175.14873	0.3
177.16434	0.4
187.14876	0.3
189.12714	0.4
189.16406	0.5
191.17891	0.3
201.16440	0.2
203.17934	0.3
205.15829	0.3
213.03886	0.3
213.08131	0.2
231.06587	0.2
291.08667	2.1
309.09778	0.2
338.67917	0.2
350.75598	0.2
377.08719	0.9
377.31970	0.4
394.31760	0.3
395.09705	4.9
395.33093	2.1
396.09949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.095
Annotation	5-Methoxy-8-O-beta-D-glucosyloxy-psoralen
Peak:m/z	Relative Intensity
65.77222	1.7
71.57882	3.0
85.02889	2.3
98.97571	1.7
115.03883	1.8
128.39380	1.6
179.51666	1.7
187.58720	2.2
215.06212	1.9
342.22354	2.0
394.98499	3.1
395.09509	100.0
396.09921	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	395.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.05506	1.2
65.03931	0.7
67.01859	1.3
67.05508	2.1
68.60082	0.3
68.99784	0.5
69.03429	2.7
69.07067	2.1
71.04981	0.9
79.05489	1.6
80.60098	0.3
81.03413	4.6
81.07059	5.1
83.08620	0.9
85.02900	2.6
85.06538	0.3
87.00829	0.6
91.05477	11.4
93.07041	4.5
95.04984	0.5
95.08607	7.6
95.12957	0.3
97.02899	2.1
97.10167	0.4
99.04453	1.2
99.76917	0.3
105.07030	8.6
107.08595	6.2
109.02879	6.5
109.06519	0.3
109.10149	3.7
111.08083	0.8
112.59048	0.3
117.07017	1.1
119.04944	21.1
119.08574	8.6
120.05309	0.5
121.06512	2.4
121.10147	4.4
123.08052	1.0
123.11706	1.0
127.03923	4.0
129.01851	0.6
131.08580	2.1
133.10130	5.2
135.08060	0.9
135.11684	2.1
137.09653	0.4
137.13232	0.6
143.08556	0.6
144.09340	0.7
145.10120	2.8
147.04408	100.0
147.08035	2.9
147.11697	3.4
148.04724	2.4
149.09607	0.5
149.13255	3.4
151.11214	0.3
157.10156	1.1
159.08022	0.4
159.11699	7.0
161.09631	7.0
161.13261	10.3
163.11227	0.8
163.14824	3.0
165.05469	2.6
165.96228	0.3
171.11626	0.8
173.11882	0.4
173.13255	2.4
175.11128	0.8
175.14810	2.4
177.16426	2.4
177.17735	0.4
179.10809	0.3
183.11682	0.3
185.13275	0.5
187.14827	2.7
189.12743	3.6
189.16393	3.8
191.14345	1.5
191.17908	0.9
197.13164	0.4
199.14838	0.7
201.16377	3.1
203.14378	0.6
203.17957	4.6
205.15869	0.8
213.16429	1.2
215.07057	0.3
215.17973	0.9
217.15912	0.6
227.17914	0.6
229.15884	0.6
231.17377	0.4
241.19606	0.7
247.16789	0.4
249.18564	0.3
253.19467	0.7
255.20917	0.3
269.22702	0.3
287.19937	0.4
291.08694	2.5
349.28989	2.4
377.08597	0.8
377.32104	1.5
395.09766	5.1
395.14746	0.4
395.21426	0.7
395.29321	8.3
395.33206	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	395.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.4
56.96566	11.2
69.07063	2.0
70.06587	3.4
71.57920	1.5
72.08169	1.8
84.96028	7.1
85.02889	2.8
86.09710	2.0
91.05500	10.2
95.08612	2.0
97.96793	3.2
98.97588	27.2
98.98217	2.9
110.97565	6.8
116.98618	18.5
120.08082	1.6
128.98611	13.2
131.00171	2.8
134.99652	8.1
136.78714	1.5
143.00151	2.8
144.98100	1.4
146.99643	8.1
147.04433	2.0
152.98590	3.4
158.99654	7.8
161.01219	6.4
162.99113	2.5
165.00757	1.8
170.99675	4.2
173.01236	2.5
177.00740	9.9
189.00739	3.9
191.02179	1.7
201.00768	2.0
207.03297	10.1
219.01711	15.1
225.04343	8.2
225.90610	1.4
237.02812	33.6
249.04274	2.4
255.03934	1.8
267.05527	1.6
290.06949	1.5
309.06378	23.1
327.07498	100.0
328.07913	3.9
350.09305	7.5
351.07620	3.8
369.08585	12.0
395.07297	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	395.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	6.7
57.03434	3.9
58.99866	4.9
60.50573	2.2
62.47808	2.3
63.17507	2.3
68.99799	2.2
69.03428	4.8
69.34903	3.0
69.36091	2.3
69.46490	21.8
70.06583	5.5
73.02889	3.1
74.09707	5.2
77.00932	2.5
79.22575	2.6
84.08131	2.7
85.02928	14.0
95.06097	3.4
97.02879	2.8
97.09255	2.4
98.97600	11.2
101.00867	14.5
101.09676	2.3
105.79551	2.2
113.00845	4.5
113.46703	2.7
115.02438	3.0
116.98592	8.1
117.03994	3.7
118.08630	3.8
119.01922	78.3
120.01991	3.2
121.03379	2.5
127.02434	5.5
128.98651	5.2
129.04083	2.6
131.00908	3.0
131.01909	57.7
133.03470	7.5
134.99719	3.5
135.05055	3.7
137.02975	21.3
142.03485	2.9
143.01900	19.7
144.01987	3.0
144.08781	3.1
144.10040	2.3
145.03471	80.5
145.04654	3.8
146.99648	3.2
147.05025	4.2
147.06183	2.4
149.02971	17.5
151.04565	3.4
153.00557	3.0
153.03914	2.7
155.01872	14.2
156.04202	9.7
157.03447	10.3
157.04605	3.4
159.05052	22.1
161.02975	41.2
163.04550	27.8
167.01939	4.7
168.05118	3.2
169.03479	47.1
171.01476	4.8
171.03333	8.6
171.05034	30.3
173.02966	34.9
173.06691	3.5
174.99072	3.0
175.04535	9.0
177.00673	4.3
181.03453	15.3
185.02957	28.0
187.04529	100.0
189.00827	3.5
189.02443	20.9
189.04346	22.2
189.06073	10.9
191.02388	2.4
191.04024	7.9
194.89095	2.6
197.02962	8.4
198.12363	4.6
199.02785	4.4
199.04517	38.4
201.06068	3.8
203.04047	35.3
207.03493	6.2
207.05341	4.9
210.06035	3.9
213.02455	10.8
215.00414	3.1
215.02222	4.1
215.04016	9.6
215.24997	2.6
216.05392	11.5
217.05646	7.4
217.42096	2.8
219.03586	2.9
221.04979	10.5
225.02431	10.5
226.05602	2.6
229.05528	3.9
231.03490	35.0
231.05464	3.6
233.03331	9.3
233.05212	5.5
234.06401	5.5
237.02737	3.5
237.08223	3.0
239.06166	4.5
243.03502	10.7
245.05070	5.3
248.89482	3.1
255.64413	2.9
257.08151	3.6
261.04623	5.4
263.06189	5.5
275.02484	69.4
275.06100	61.1
276.02750	5.6
287.02435	68.6
287.05667	3.7
288.02771	2.8
289.07565	8.2
293.03525	41.5
296.97791	8.3
305.03629	26.0
305.06961	6.0
307.08826	3.2
309.06418	2.8
333.08548	2.7
333.13879	12.1
335.04330	6.5
335.11734	5.1
336.15161	2.5
340.38065	2.8
359.04526	9.1
377.05545	13.6
394.98328	16.6
395.06201	9.1
395.10687	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	394.9813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57449	0.6
57.30673	0.7
65.74233	0.8
66.91117	0.8
70.21574	2.7
72.61414	0.6
81.24928	0.7
94.93017	5.3
101.00845	0.8
112.89626	2.1
119.01902	2.7
131.01874	1.3
145.03482	3.0
156.04178	2.3
159.04973	0.8
159.43176	0.7
161.02933	1.8
164.38635	0.7
169.03505	1.3
170.64540	0.7
173.02939	0.9
179.62102	0.6
187.04485	3.4
202.89134	1.0
203.03986	2.0
206.88609	0.9
212.85268	1.3
214.94759	1.0
215.04095	0.8
222.98857	8.3
231.03510	1.3
247.91235	0.8
248.89650	7.6
261.93085	1.1
275.02533	2.4
275.06122	5.9
287.02441	2.0
293.03445	1.6
296.97739	41.9
297.98209	1.0
302.96494	0.8
318.90323	1.9
334.93179	1.5
394.98087	100.0
395.06436	3.0
395.20450	1.7
395.98465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
55.05513	7.9
57.03440	3.9
61.02961	1.8
67.05513	13.7
69.03432	6.5
69.07069	12.8
69.23962	1.8
69.69890	13.8
71.04982	6.4
79.05473	6.6
81.03426	3.1
81.07059	38.8
83.04974	2.3
83.08614	11.7
85.02908	23.5
85.06554	6.0
85.96172	1.8
91.05479	8.8
93.07048	15.9
95.08614	55.4
97.02898	4.9
97.06551	10.8
97.10177	6.7
98.20844	3.6
99.08105	7.2
105.07053	12.9
107.08591	6.8
109.10187	2.4
111.08109	2.1
113.09686	3.4
119.08591	27.1
121.10141	9.2
123.08091	4.4
125.60136	1.9
127.03920	4.7
127.07512	2.4
130.53625	2.0
133.10112	19.9
135.11688	14.5
137.13268	13.5
138.88310	1.9
141.09076	2.4
145.04922	2.4
147.83696	2.2
161.13266	66.4
179.14323	100.0
180.14702	2.2
197.15385	50.1
198.15692	1.9
215.16402	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	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01870	3.7
55.05504	4.6
63.46741	1.4
69.03418	5.2
70.06570	2.9
71.04987	1.5
71.59084	1.8
72.08156	27.3
79.05476	2.2
81.03399	2.4
81.07068	11.7
83.04957	2.5
84.04511	7.7
84.08135	1.9
85.02898	8.1
86.09706	14.0
91.05493	4.2
93.07030	2.3
95.08610	2.4
97.00357	1.4
97.02885	3.2
102.05506	1.5
105.07023	2.8
107.08591	2.3
109.02867	1.9
109.06551	7.3
109.10161	2.7
111.04447	3.1
116.98606	1.4
117.03359	2.2
118.08643	3.5
119.04899	1.6
119.08590	1.6
120.08102	25.1
121.08403	1.5
123.11739	1.6
125.06004	4.8
127.03906	4.0
133.10152	2.7
135.10391	1.4
137.05978	100.0
137.09576	2.5
138.06277	1.8
143.08549	1.7
145.02832	3.4
145.04979	2.1
146.05992	4.2
147.04401	6.2
161.09627	6.6
166.08673	7.3
175.07610	1.7
177.05467	6.4
179.10666	45.4
183.11325	3.1
185.16484	6.1
196.17062	1.5
197.11728	82.1
201.12410	6.7
213.16042	3.5
216.08809	1.5
217.08990	2.3
220.09653	3.9
229.11801	4.3
231.11359	3.3
233.16516	3.2
249.12405	2.1
265.08713	1.4
273.11728	1.7
284.25970	1.6
394.15204	8.3
394.24051	5.7
395.09329	8.8
395.13782	1.7
396.60214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
53.19806	0.9
55.05515	7.9
57.03446	4.9
57.07071	2.6
65.03935	1.5
67.05510	14.5
69.03423	2.3
69.07066	15.9
71.04984	1.2
77.03929	1.0
79.05487	10.8
81.07064	32.8
83.04993	2.0
83.08645	4.6
83.82653	1.0
85.06568	1.5
91.05487	15.1
93.07053	25.0
93.23547	1.1
95.04979	3.0
95.08613	50.5
96.08950	2.3
97.02880	2.2
97.06525	2.4
97.10181	2.6
98.43046	0.9
99.08104	32.3
105.07034	29.0
107.08600	41.1
109.06505	4.0
109.10167	24.6
110.10501	1.3
111.08067	6.8
111.68757	1.1
112.88591	1.0
115.05439	1.6
117.06992	5.6
119.04973	1.5
119.08587	41.4
120.08908	1.9
121.06517	11.6
121.10155	27.2
122.10500	1.0
123.08074	6.0
123.11724	8.7
125.09651	2.0
128.06200	1.9
129.07011	5.0
131.04959	1.0
131.08571	22.0
133.10139	24.9
135.08051	12.1
135.11696	11.4
137.09679	4.8
137.13254	2.7
141.07036	1.2
142.07759	3.4
143.08568	12.9
145.06493	1.0
145.10130	41.4
146.10414	1.3
147.08070	12.4
147.11723	13.4
149.09612	4.6
149.12164	1.9
149.13272	21.4
150.13631	1.0
151.11247	2.3
151.14845	1.5
155.08566	2.7
156.09377	2.1
157.10135	19.0
158.10869	2.7
159.08080	3.1
159.11711	20.6
161.09636	23.3
161.13254	14.5
163.11208	2.8
163.14832	23.1
163.15854	0.6
167.08607	1.7
169.10115	6.7
170.10924	2.6
171.11685	11.5
172.12390	1.6
173.09677	4.7
173.13269	19.7
174.13629	1.1
175.11189	3.9
175.14847	20.8
177.12776	2.5
177.16402	25.1
179.14299	1.4
181.10150	2.5
183.11719	7.1
185.09689	1.2
185.13284	11.2
186.13596	1.2
187.11224	4.0
187.14839	68.4
188.15216	3.5
189.12767	17.7
189.16397	18.2
190.16670	1.5
191.14417	1.8
191.17963	5.8
193.10133	1.1
193.15959	2.0
195.11682	2.9
197.13264	4.2
199.11320	1.1
199.14828	9.5
201.12733	2.1
201.16393	22.0
202.16888	1.0
203.14340	26.2
203.17964	26.3
204.14558	1.4
205.15974	1.8
205.19557	1.9
207.11755	1.1
209.13315	2.3
211.14828	3.5
213.16408	11.9
215.14346	16.6
215.17918	6.8
217.15913	6.5
217.19594	1.7
219.17464	22.5
220.17847	1.3
223.14801	1.1
225.16479	4.8
227.17912	4.0
229.15846	6.8
229.19528	2.2
231.17552	1.5
237.16371	5.5
239.17923	8.5
241.15881	1.4
241.19501	4.7
243.17477	33.3
243.21155	1.6
244.18016	1.5
245.19234	1.1
251.17940	3.0
253.19516	2.8
255.17505	8.9
255.21117	3.5
257.18942	1.1
267.21069	3.3
269.19028	5.8
269.22287	0.9
277.19681	1.8
279.20911	2.0
281.22647	1.2
283.20572	3.6
283.23935	1.1
291.21158	1.5
295.24234	1.3
297.22049	1.7
305.22641	3.9
307.24225	1.2
319.24203	2.4
321.25754	2.5
323.23413	1.1
333.25729	2.0
337.25461	1.1
365.32065	4.4
375.30530	26.5
376.30679	2.3
393.31506	100.0
394.20233	1.1
394.31915	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	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.05508	23.9
57.03431	3.9
57.07077	28.0
59.04992	2.5
65.03943	4.5
65.95839	2.0
67.05501	38.7
69.03416	5.3
69.07067	25.6
71.04994	3.8
71.08624	16.8
71.59515	1.8
71.60034	3.6
79.05490	38.7
81.06577	4.3
81.07053	72.1
83.04967	8.0
83.08616	13.3
85.06536	5.8
85.10168	8.1
85.60774	1.9
91.05476	45.3
91.06012	3.7
93.06470	4.5
93.07043	76.0
95.04969	55.1
95.08602	67.8
97.06542	13.4
97.10146	4.8
98.15722	2.1
98.98460	39.7
103.05487	3.1
105.04533	2.1
105.07026	96.9
107.08584	51.4
109.06520	16.5
109.10151	32.3
115.05453	6.3
116.06215	3.3
116.99506	3.4
117.07007	19.1
119.08577	100.0
121.06503	24.1
121.10141	38.0
123.08099	7.5
123.11694	14.0
128.06207	9.4
129.06993	13.7
130.07790	7.8
131.08562	41.8
133.10132	58.8
135.08031	7.6
135.11681	19.7
137.09634	3.2
137.13242	3.9
140.22943	2.2
140.71701	2.0
141.07007	5.9
142.07767	24.7
143.08565	28.8
144.09332	10.4
145.06433	3.2
145.10115	64.4
147.08012	3.7
147.11705	20.5
149.09604	5.1
149.13292	4.3
151.11182	2.9
153.07010	3.5
155.01033	62.7
155.08546	13.0
156.09351	9.6
157.10129	52.7
157.11452	2.6
158.10870	6.5
159.08081	5.0
159.11678	39.6
161.09650	14.7
161.13301	7.2
163.11151	5.5
165.06990	3.7
167.08583	4.3
168.09335	4.7
169.10097	22.2
170.10916	7.5
171.11664	25.4
173.09674	5.1
173.13237	21.6
175.11232	10.4
175.14819	18.0
179.08560	4.9
180.09467	2.6
181.10092	9.1
182.10883	4.9
183.11674	19.0
185.13258	10.2
187.11192	8.7
187.14824	10.4
189.12695	2.4
193.10168	5.4
194.10892	7.7
195.11745	8.8
197.13249	15.8
199.11069	2.2
199.14819	6.5
201.16440	7.1
206.10884	4.0
207.11720	8.1
209.13190	14.9
210.14053	4.1
211.14833	8.9
213.16353	3.5
219.17601	2.3
220.12402	2.9
221.13263	2.8
223.14854	8.7
225.16423	8.2
227.14395	3.1
235.14915	4.9
237.16435	4.7
239.17915	3.0
239.23691	7.0
241.19516	4.6
251.18030	4.0
253.15837	5.4
253.19618	2.6
255.17497	2.9
265.19562	5.0
272.49689	2.6
275.17892	2.4
361.09991	2.1
375.26840	5.8
380.13785	2.3
393.27756	10.5
393.35464	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	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
54.68597	6.1
55.01856	6.5
55.05502	19.3
57.07059	16.5
57.29900	6.4
64.30891	6.6
67.05511	38.3
69.07063	17.5
71.08597	7.3
71.60944	11.3
79.05497	44.0
81.07049	61.2
90.50148	6.5
91.05485	47.0
93.07039	80.5
94.19895	6.6
95.04967	68.2
95.08610	64.7
97.06548	14.0
97.91611	6.4
105.07037	100.0
107.08592	62.5
109.06503	20.6
109.10138	34.9
115.70465	6.3
117.06999	27.7
119.08580	97.2
121.06496	22.5
121.10155	48.1
123.11703	17.1
128.06215	9.0
129.06961	17.0
130.07742	8.1
131.08577	43.3
133.10141	58.4
135.11678	27.4
141.07019	9.8
142.07780	24.0
143.08560	48.5
144.09319	9.7
145.10112	74.7
147.11662	25.1
149.09511	8.3
155.01071	12.1
155.08574	15.9
156.09352	14.4
157.10175	50.5
159.11688	57.7
161.09621	17.2
161.13278	8.2
163.11230	11.3
169.10146	33.3
170.16788	6.0
171.11729	22.4
172.12579	6.5
173.13252	25.0
175.11209	21.4
175.14804	31.2
183.11688	11.5
187.11172	9.4
187.14841	21.7
195.11760	13.9
196.12407	7.8
197.13254	19.7
199.14847	16.4
201.12675	7.3
201.16315	16.9
209.13257	18.8
211.14929	9.8
213.16263	8.9
221.13155	8.0
223.14813	6.9
225.16457	10.9
247.14751	6.8
253.19688	8.2
265.19388	8.9
375.26343	8.5
380.67886	7.8
393.27737	13.2
393.35251	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.36841	0.5
57.07077	3.1
70.51516	1.4
70.51913	1.1
73.27504	0.5
77.88183	0.5
78.88677	0.5
79.05453	0.5
81.07059	1.2
83.04960	0.7
86.81664	0.6
91.05467	1.2
93.07033	1.4
94.52627	0.5
95.08589	1.3
107.08572	0.9
119.08584	1.1
121.10132	1.0
133.10089	0.6
135.08037	0.7
145.10173	0.9
157.10162	0.6
159.11681	0.7
197.13252	0.6
229.19650	0.6
257.19037	1.4
309.19955	1.6
375.24820	1.8
393.26108	100.0
394.26526	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.36841	0.5
57.07077	3.1
70.51516	1.4
70.51913	1.1
73.27504	0.5
77.88183	0.5
78.88677	0.5
79.05453	0.5
81.07059	1.2
83.04960	0.7
86.81664	0.6
91.05467	1.2
93.07033	1.4
94.52627	0.5
95.08589	1.3
107.08572	0.9
119.08584	1.1
121.10132	1.0
133.10089	0.6
135.08037	0.7
145.10173	0.9
157.10162	0.6
159.11681	0.7
197.13252	0.6
229.19650	0.6
257.19037	1.4
309.19955	1.6
375.24820	1.8
393.26108	100.0
394.26526	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	393.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02605	2.4
51.46290	2.1
53.03939	4.0
55.05515	11.8
57.75912	2.1
61.02924	2.6
67.05511	15.7
69.03432	15.4
69.07078	14.8
69.45476	3.9
69.45884	17.3
70.06584	3.7
71.04979	5.7
72.08131	5.7
79.05497	11.0
81.03410	7.7
81.07056	38.5
83.04983	4.1
83.08620	11.6
85.02917	17.7
85.06078	3.1
85.06548	35.0
86.09691	6.0
91.05483	8.8
93.07044	33.7
95.04949	9.0
95.08051	3.9
95.08613	54.9
97.02895	6.4
97.06505	3.1
97.10172	6.9
98.97566	6.3
99.04460	3.7
99.08084	7.9
105.03399	18.5
105.07037	7.1
107.04969	2.8
107.08591	43.7
109.06509	2.9
109.10156	38.4
111.08094	3.0
116.98611	4.5
119.04876	3.6
119.08577	5.5
120.08091	4.3
121.02876	5.1
121.09310	4.6
121.10146	48.7
123.04445	3.7
123.11672	16.1
125.09632	10.0
127.03871	4.2
131.00192	2.5
133.10162	2.9
135.11702	21.2
137.05942	4.1
137.13239	6.7
139.11186	2.7
145.04974	4.4
146.06015	96.7
147.04440	5.9
149.13249	3.8
151.03815	2.9
153.12698	2.4
155.10626	2.3
157.05197	2.1
161.06009	3.3
163.03928	2.5
163.07542	4.1
165.05434	3.6
165.16405	12.1
167.03317	2.3
177.00734	4.5
177.16393	100.0
178.16763	3.3
183.17448	17.5
191.08145	12.4
195.17464	48.8
196.17818	2.3
199.17679	2.4
205.10310	2.4
213.18445	14.2
231.19565	65.5
232.19901	2.7
307.12943	3.6
321.24377	2.3
375.11700	4.8
378.64828	2.5
393.07877	3.0
393.12897	4.2
393.19049	4.0
394.11566	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	393.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11178	2.6
53.03931	4.3
55.01868	5.6
55.05515	100.0
56.96547	6.0
57.03428	18.1
59.04975	5.7
61.02922	3.4
65.03936	2.2
66.37316	2.3
67.05502	4.5
69.03432	56.8
69.07059	9.8
69.10021	2.6
70.95621	8.6
71.01327	4.1
71.04681	2.3
71.05002	22.9
73.02933	13.5
79.05486	7.0
81.03393	6.7
81.07043	9.6
82.23343	2.5
83.08624	71.4
84.04487	8.5
85.02907	36.6
87.04479	26.6
91.05485	12.1
93.07053	2.4
95.04993	2.8
97.02893	40.1
98.97580	9.0
99.04488	2.7
101.01765	2.4
101.09668	7.7
105.07018	3.0
109.06498	4.6
111.08078	2.6
115.03933	43.5
116.01660	7.0
116.98611	9.7
119.04949	18.9
120.08110	2.9
121.06402	3.5
125.02346	5.7
127.03883	7.7
130.04984	3.5
133.04968	54.5
134.99678	3.1
140.98683	2.6
143.61270	2.7
144.01102	3.9
145.04973	4.0
145.06805	4.1
147.04417	55.5
147.07768	3.8
149.02428	3.4
151.07458	2.4
152.09384	2.5
158.99583	2.9
161.01263	3.2
161.04507	5.7
162.02190	13.5
177.05476	3.4
179.05476	14.2
188.08212	3.7
189.36897	2.9
200.09740	2.7
217.07126	3.2
219.01822	6.7
225.07054	4.6
231.08807	8.8
232.07217	5.7
237.02808	7.7
248.09590	10.9
259.08398	6.4
265.12122	4.9
317.09012	8.5
319.13361	3.8
393.13879	31.3
404.70047	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	6.8
57.03432	1.0
65.40205	0.4
69.03440	2.6
70.76270	0.9
70.76609	0.5
70.98141	0.8
73.02926	0.6
77.00930	0.4
77.20602	0.3
81.03436	0.7
84.96043	0.4
85.02911	2.8
86.99335	0.4
87.04488	0.8
88.99171	0.7
95.04971	0.4
97.02903	2.4
98.97588	2.9
101.00914	1.6
105.00409	0.7
107.00240	0.5
109.02913	0.6
113.00884	1.0
115.02470	2.6
116.98649	1.5
117.00784	0.5
117.04041	1.8
119.01941	8.2
119.02781	0.4
119.04937	1.0
121.03498	0.4
121.13919	0.4
127.03928	12.9
128.04269	3.0
128.98615	2.3
131.01924	8.4
133.01805	0.4
133.03474	5.8
133.04964	0.4
134.99686	1.0
135.05060	3.5
137.00989	0.5
137.02985	1.7
137.04610	0.5
137.06082	0.5
143.01901	2.5
145.03482	6.6
146.03613	0.6
146.99646	3.8
147.01421	0.8
147.04382	0.9
149.02977	1.8
151.02806	0.4
151.04512	0.8
152.05791	0.6
153.04030	0.5
155.01894	9.4
156.02773	0.9
156.98164	0.7
157.03510	2.0
158.99754	1.0
159.05038	8.8
161.01170	0.6
161.01601	0.8
161.02975	7.2
162.99007	0.5
163.04530	3.2
165.00710	3.9
170.99779	0.4
171.05040	11.6
172.05286	0.7
172.97644	0.7
173.02983	13.3
173.06560	2.7
174.03070	0.8
174.99174	5.6
175.03197	0.4
175.04587	1.8
177.00784	1.5
177.06111	5.3
179.04076	0.6
183.01627	0.6
183.05077	1.6
185.01581	0.5
185.02930	2.3
185.06638	1.5
186.99123	0.6
187.04604	0.8
189.00764	1.1
189.06099	10.0
189.07756	0.6
190.98662	2.2
191.02385	0.5
191.04045	0.8
191.07716	1.4
193.00238	10.6
193.01602	0.5
195.05104	0.5
196.04594	0.6
197.02997	1.0
197.06665	0.5
201.00743	1.9
201.02420	0.5
201.06108	4.5
203.02332	0.9
203.03992	4.4
203.05527	0.5
203.07526	0.8
205.00241	2.3
205.05612	1.9
207.05289	0.4
207.55469	0.4
208.99773	0.9
211.01300	1.0
211.04704	0.8
212.07776	0.9
213.06134	4.6
215.04128	0.9
216.01799	0.5
217.23999	0.4
218.98096	0.7
219.01805	1.4
219.07056	3.3
221.05089	19.3
222.05185	1.1
223.01276	2.8
226.05667	0.5
231.07278	1.6
232.99767	1.0
236.99312	0.6
237.02876	2.7
239.06195	0.7
242.08963	0.5
243.07184	2.4
244.06854	0.6
245.05113	2.7
251.00728	0.9
259.06732	1.2
261.08197	20.7
262.08447	1.0
263.06299	1.1
273.08276	2.4
275.09802	0.5
277.08139	0.5
279.09283	40.4
280.09561	2.9
291.00363	0.8
293.10867	0.8
295.07068	2.2
299.06305	1.3
302.10995	2.4
305.01736	4.7
305.19473	0.5
318.09433	0.5
323.02646	0.4
330.84613	0.5
333.01315	4.1
333.10541	3.1
334.01581	0.5
334.10477	0.6
345.10339	3.2
346.10425	0.4
351.02335	0.6
357.10483	1.5
375.11447	1.7
393.13510	100.0
394.13632	5.4
408.05682	0.4
409.10446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	1.4
56.96558	3.4
69.03431	1.9
71.58245	2.4
72.08149	1.7
74.06074	1.3
85.02884	2.7
86.09707	1.5
97.02925	1.6
98.97588	3.9
100.20229	1.2
100.97047	1.3
101.00874	3.9
102.52990	1.2
103.02444	1.5
111.03043	1.1
113.04623	1.6
115.02404	1.8
116.98609	1.9
119.01112	2.1
119.01909	18.9
127.02339	1.8
127.03891	2.8
129.03979	1.5
129.75787	1.2
131.01921	10.7
133.03445	5.6
134.99644	1.2
135.04968	1.5
137.02959	3.3
137.38194	1.2
138.02908	1.2
139.73578	1.4
142.03554	1.3
143.01875	9.3
145.03462	18.7
146.99568	1.4
147.01358	1.8
147.05144	6.7
149.02954	2.4
152.05656	13.8
153.04016	1.8
155.01892	19.1
156.02686	3.5
157.03479	9.2
159.05022	4.5
161.01617	1.8
161.02959	16.5
163.04494	3.9
165.06053	2.1
167.01869	1.4
171.05023	15.9
173.02957	30.3
173.04434	1.0
173.06564	2.3
173.39182	1.2
175.04541	7.9
177.05995	1.7
179.01944	2.9
180.03593	8.6
183.04985	7.8
183.55881	1.3
184.04878	1.8
185.02922	10.7
185.06572	3.1
187.04530	2.9
189.04193	2.8
189.06064	9.2
193.00249	2.8
196.04462	1.9
197.02953	11.9
197.06624	2.0
201.06033	6.4
203.04008	12.7
203.07536	2.6
207.05083	1.5
210.50906	1.2
213.06084	8.3
215.07724	2.4
219.01947	2.2
221.05074	52.4
222.05173	3.6
225.06088	2.9
226.02486	3.3
226.05669	1.8
231.07098	3.1
233.05147	1.6
237.02846	1.9
244.06929	1.8
245.05074	100.0
246.05286	4.4
247.06633	1.4
255.07146	5.7
261.08261	8.1
263.06113	40.1
264.06332	2.1
271.06668	2.1
273.08200	63.7
274.08469	3.8
279.09207	17.7
286.07675	2.4
291.09265	4.7
305.07172	23.4
314.10962	1.5
315.09399	1.8
333.10297	55.7
334.10461	3.7
351.10849	1.3
393.13458	41.2
394.12836	1.8
416.41238	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62326	0.6
59.32199	0.6
60.80144	0.5
67.05489	0.7
69.07059	1.3
69.39816	0.5
70.10542	1.6
70.10950	1.5
71.25690	0.6
79.05478	0.9
80.68425	0.5
81.07059	6.4
86.09689	3.6
91.05469	0.6
93.07063	1.0
95.04970	1.0
95.08595	1.8
97.02891	0.9
98.21393	0.9
105.07000	2.0
107.17122	0.6
120.08092	4.6
133.10152	0.7
149.02293	0.6
154.94142	1.6
166.08638	1.0
172.95206	4.3
190.96278	2.4
201.12332	2.3
223.10834	0.7
234.63731	0.6
271.04282	0.8
273.64136	0.7
291.06628	4.5
307.11499	3.1
309.07755	2.8
349.12592	24.3
350.12943	0.9
393.11545	100.0
394.11887	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	393.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01863	3.5
55.05499	2.7
57.03430	2.2
58.99586	8.9
61.01116	1.1
61.02908	1.4
67.05495	4.3
67.45924	0.9
68.99786	1.9
69.03432	100.0
69.07069	4.9
70.06583	1.1
71.01327	1.9
71.04996	4.0
71.59077	0.7
71.59470	1.4
72.08117	1.1
73.02911	1.0
76.02236	4.4
76.04001	1.2
78.89552	0.7
79.05482	4.1
81.03419	42.6
81.07059	15.6
83.04973	1.5
83.08621	2.1
85.02925	6.5
85.06550	1.2
86.09703	1.0
86.99047	8.1
87.00844	8.5
88.02196	2.6
91.05482	14.6
93.07035	3.2
95.04978	1.6
95.08616	11.9
97.02908	5.7
97.06538	3.2
97.10120	1.1
99.04477	6.2
99.08123	1.0
103.03972	0.9
103.05434	1.1
105.01842	1.3
105.03401	4.7
105.07028	6.7
106.15327	0.9
107.04900	1.0
107.08590	2.9
109.02883	76.9
109.10126	2.5
110.03743	1.5
111.04424	1.2
115.03979	1.5
115.05449	5.0
116.01682	35.3
117.06220	1.4
117.07024	24.6
119.04964	0.9
119.08598	6.8
120.08115	1.3
121.06491	1.0
121.10105	1.8
123.04385	1.0
127.03923	44.8
128.06235	2.4
129.06998	9.1
131.04906	2.4
133.06421	1.5
133.10133	4.1
135.11659	2.1
137.02310	1.2
137.09592	1.3
137.13249	2.4
141.06967	3.1
143.08521	1.2
144.01158	14.7
145.06493	19.0
147.08063	6.5
153.05457	1.3
153.06967	2.2
154.07776	1.6
154.94156	2.1
155.08560	7.0
157.06454	2.5
159.02867	2.1
159.08041	1.3
161.05911	0.9
161.13283	8.7
162.02211	52.2
163.07553	40.9
165.06996	4.2
165.71512	0.9
171.08034	1.4
172.95213	6.6
173.06012	3.1
175.07487	0.8
179.14334	8.1
181.06494	0.9
181.63509	0.8
182.07275	3.4
182.21992	0.9
183.08060	14.1
187.07555	1.3
188.23257	0.8
190.96271	4.7
191.06793	0.9
197.09723	1.1
197.15370	8.5
199.07521	1.7
201.09148	1.1
203.07060	1.0
211.07588	4.9
213.03891	1.2
213.14853	0.9
215.16429	2.9
225.09106	4.7
226.09464	0.9
229.08691	2.0
253.08612	3.2
255.35934	0.9
271.09680	1.4
272.16629	1.5
273.05344	1.0
273.15247	2.0
291.06644	7.9
309.07816	2.5
340.15601	1.4
351.08783	1.1
358.16757	4.3
376.17734	5.2
393.11761	31.0
393.20050	7.4
394.12411	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.7
56.35888	2.9
57.07072	7.8
67.05505	14.3
69.07066	10.5
70.14103	13.2
71.08636	6.5
79.05495	8.1
81.07059	21.1
83.04963	2.8
83.08620	8.6
86.09712	6.1
89.03385	2.4
91.05466	7.1
93.07034	18.5
95.08029	2.1
95.08606	63.9
97.10149	5.9
98.98486	9.2
105.07030	15.6
107.08597	28.9
108.75717	2.3
109.10169	21.2
111.04439	5.3
113.00014	4.0
117.07050	2.5
117.34257	2.6
119.08577	21.0
121.06483	2.6
121.10144	21.1
123.11688	5.6
123.50321	3.1
125.06012	3.7
131.08563	7.9
133.10127	14.5
135.11662	16.1
143.08569	3.3
145.10147	12.3
147.11702	9.8
149.02354	8.9
149.13275	7.9
150.02672	3.8
153.12762	10.9
155.01054	16.5
157.10112	8.7
159.11720	12.0
161.13257	6.5
165.09094	4.2
171.11693	8.2
173.09587	4.4
173.13274	7.6
175.14980	2.8
179.10738	4.4
185.13304	7.1
187.11200	11.0
187.14879	4.5
191.10684	5.6
199.11214	5.5
201.12843	4.4
201.16475	3.8
203.18102	6.0
205.12250	7.5
213.12749	6.2
217.12209	6.2
219.13829	5.0
227.62149	2.6
231.13824	13.5
239.18004	4.7
245.15361	8.2
255.21155	7.9
265.19504	3.2
265.22504	2.8
283.20731	13.1
301.21606	100.0
302.21994	2.8
309.84628	3.0
385.32175	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	393.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02862	9.5
58.16717	7.9
59.07787	7.9
59.26656	7.7
61.92162	9.9
70.28973	36.5
73.53042	7.8
123.74212	9.1
140.47531	10.1
149.32225	7.6
187.04642	12.1
225.46445	8.0
352.32404	8.7
393.05768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	5.0
55.05502	27.5
56.05029	24.3
56.96564	7.6
57.03434	13.4
57.07082	6.9
58.06591	4.8
59.06120	5.3
60.04511	5.7
60.05319	5.8
61.01158	8.5
61.02919	6.9
67.05498	17.8
67.22524	4.9
69.03432	39.7
69.07072	46.8
70.06593	100.0
71.04984	23.9
71.59072	11.5
72.08152	32.5
73.02869	7.1
74.06045	7.3
79.05485	13.4
81.03419	18.8
81.07057	55.5
83.04971	13.6
84.04504	32.1
84.08144	15.2
85.02918	63.6
85.06527	8.3
86.09706	87.8
87.04467	10.7
88.04026	5.5
91.05487	15.4
93.07049	30.1
95.04972	9.6
95.08585	11.0
96.08097	5.8
97.02897	33.9
97.06523	12.2
98.97574	6.8
102.05542	15.2
104.05327	19.5
105.07034	12.2
107.08596	45.9
108.08131	5.0
109.02876	10.1
109.06551	8.4
109.10155	22.2
110.07206	5.7
110.09767	5.9
111.04418	8.4
111.08065	9.2
115.03964	6.6
115.07663	6.4
116.07101	23.5
119.08595	8.5
120.08110	36.8
121.10089	9.2
123.08079	11.8
123.11707	11.2
125.09664	7.0
126.10241	10.1
127.03928	20.9
129.06787	6.6
129.10233	6.8
131.08545	6.9
133.10123	17.8
135.08104	6.9
135.11679	7.0
136.07576	35.8
137.05986	7.3
142.09685	8.0
144.06561	12.6
145.03200	5.3
145.04997	12.8
147.04396	13.2
147.07901	8.6
149.02345	21.8
149.09619	12.5
150.02689	15.1
150.05841	19.6
151.11134	28.4
153.03131	5.8
153.12761	16.9
158.09949	8.6
161.30186	6.0
162.07616	17.4
167.10674	6.4
169.12236	16.8
172.95230	8.0
177.00714	7.7
177.05638	5.8
183.14935	11.0
190.96362	6.6
194.11841	8.8
194.15370	7.2
195.10172	9.2
203.05806	10.6
203.07515	92.5
203.12152	19.3
206.10226	8.1
212.08044	29.4
212.16502	8.5
215.13901	15.5
217.13550	7.2
223.58908	19.7
230.14009	8.9
230.17494	12.5
231.11504	6.7
243.09151	11.0
243.13416	11.7
249.16068	13.4
261.10056	22.2
277.15530	8.1
309.07782	7.4
392.14139	5.6
392.18460	98.3
392.22815	27.1
393.07407	6.4
393.16095	28.1
393.24692	76.1
405.14212	32.9
412.80121	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	392.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66271	2.0
55.01857	2.5
55.05500	4.3
56.05051	4.6
57.03434	7.5
57.07080	2.6
58.06596	11.1
58.90176	1.8
59.04998	2.4
61.02917	7.5
67.05490	7.1
68.51748	1.9
69.03427	23.4
69.07065	4.2
69.49312	11.7
69.49734	5.9
70.06597	30.3
71.04971	4.3
72.08157	3.2
73.02912	2.9
73.33332	2.0
74.06071	5.0
74.33287	1.7
75.04470	2.9
79.05486	7.6
81.03446	9.1
81.07064	40.1
83.08652	2.5
84.04501	2.4
84.08149	48.3
85.02908	41.1
86.06070	2.5
86.09707	4.5
87.04503	4.4
87.42991	1.8
91.03951	3.4
91.05471	9.1
93.07050	35.9
93.90611	1.9
95.04969	3.5
95.08600	16.0
96.08123	4.6
97.02914	13.0
97.06548	2.1
98.09715	1.9
99.04472	4.7
100.07609	1.8
102.09191	4.4
105.07040	8.8
107.08590	14.8
108.08134	3.2
109.02885	6.1
109.06487	2.0
109.10155	5.3
110.09666	8.3
111.08085	6.1
114.09166	3.5
119.08607	3.4
120.08173	2.1
121.06531	1.8
121.10136	14.3
123.08093	2.0
123.11726	12.0
125.09619	2.7
127.03903	13.0
133.10130	9.9
135.11697	4.3
136.11255	3.1
137.09601	3.8
138.12794	12.8
139.11191	8.4
145.04950	7.0
149.02351	3.2
150.02679	2.0
151.11176	10.7
156.13867	5.5
159.11758	3.1
163.03909	2.2
164.14392	2.2
168.13826	10.3
169.12210	7.6
176.14290	2.2
178.15926	2.0
182.15477	2.4
186.14937	4.7
194.15433	23.3
195.13832	2.6
212.16473	76.5
230.17458	16.4
264.14542	3.5
271.04309	6.2
272.12924	1.8
314.12192	3.8
330.38803	2.1
344.20969	2.8
348.20242	2.1
356.20706	4.6
360.12653	3.8
374.14539	2.3
374.21701	48.8
392.22809	100.0
393.07913	5.2
393.23071	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	392.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.6
56.05040	20.3
57.03431	5.5
57.07056	4.7
58.06595	36.7
59.04990	3.5
60.04520	8.8
63.33669	3.9
67.05493	4.3
69.03419	19.1
69.07072	18.7
69.14035	3.5
69.81798	3.6
69.88513	22.1
70.06593	100.0
71.04975	27.7
72.08159	12.0
73.02926	7.8
74.06073	7.5
79.05496	13.1
81.03402	6.0
81.07061	42.1
82.06538	3.8
83.04973	5.8
83.08604	4.4
84.04501	16.4
84.08154	17.1
85.02911	31.8
85.06503	4.5
86.06065	13.8
86.09693	21.5
91.05492	13.1
93.07052	33.4
94.06618	3.7
95.04964	9.5
95.08617	11.6
96.04475	4.3
96.08118	3.7
97.02913	16.6
97.06550	8.1
98.06072	7.0
98.09673	4.6
99.04488	3.6
99.08105	12.9
99.82981	3.5
102.05532	7.4
102.09122	3.9
104.05335	8.7
105.06999	6.4
107.04961	9.7
107.08614	30.8
108.08112	12.1
109.02874	5.8
109.06509	6.4
109.10164	16.7
110.09732	3.7
111.04492	4.3
111.08085	6.6
112.07587	5.9
113.02393	5.3
113.65849	3.5
116.07080	16.2
119.08561	8.2
120.08083	18.9
121.10159	5.7
121.29865	3.6
122.06046	6.8
123.11706	6.5
124.11228	4.8
125.09647	10.2
126.05535	6.6
126.09155	10.0
127.03915	9.4
132.10201	6.3
133.10155	5.0
135.11670	32.8
136.07567	5.3
137.09590	21.4
140.07146	3.7
143.10678	13.9
149.02345	10.0
150.02792	4.7
150.12827	3.9
151.11172	6.6
153.12747	77.3
155.10699	9.5
158.08162	6.8
166.08653	7.0
167.07030	13.4
167.08220	5.2
168.06593	3.8
169.12256	5.5
186.07637	12.3
187.06030	5.3
193.32971	3.3
194.15439	22.0
195.10219	4.2
195.13747	7.0
204.08673	70.5
212.16446	53.0
213.11179	16.8
217.00101	4.0
222.09850	5.9
230.17508	40.3
233.09431	3.7
295.28162	3.7
338.69019	4.2
372.93796	4.4
374.21786	17.9
392.23038	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64574	0.9
56.96574	1.5
59.13339	1.1
61.02932	1.4
67.05508	1.1
69.03445	1.8
70.06583	2.5
71.52197	2.4
72.08138	1.2
79.05496	2.4
81.03410	2.0
81.07040	1.0
85.02908	9.1
86.09731	6.5
91.05479	4.5
95.04970	1.5
97.02887	1.7
98.97580	1.9
103.05475	2.8
105.07019	2.2
107.04960	33.2
116.07121	1.7
119.04924	5.1
120.08106	1.2
124.05174	1.3
126.10291	1.3
127.03929	1.5
130.05000	1.0
131.04971	1.3
135.08064	9.6
136.07501	1.5
137.05942	1.3
142.09789	2.1
145.04959	1.3
147.04428	19.5
148.04732	2.9
149.02370	2.0
150.02702	1.7
154.06277	1.1
163.07550	31.9
164.07903	1.3
167.07050	83.1
168.07445	1.7
177.05493	1.2
180.08788	1.6
195.10182	25.5
196.10605	2.3
213.11229	100.0
214.11455	2.4
260.98145	1.2
300.08444	1.2
329.97528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.05499	10.1
57.07067	9.4
59.04970	2.3
63.16847	2.5
65.03932	3.7
67.05492	16.4
69.03404	3.2
69.07059	9.6
71.04984	2.2
71.08650	3.1
71.60482	3.6
79.05495	19.1
81.07055	28.3
83.04984	4.8
83.08614	3.8
85.06554	4.2
91.05482	28.5
93.07048	35.9
95.04969	36.1
95.08612	15.6
97.06538	3.7
105.06384	4.4
105.07034	54.1
107.08596	24.8
109.06510	8.2
109.10148	11.0
115.05452	2.8
117.07026	14.0
119.08582	45.9
121.06515	8.8
121.10131	19.3
123.08041	6.2
123.11687	3.8
128.06245	10.1
129.06998	10.3
130.07790	5.1
131.08575	22.7
133.10117	14.4
135.08115	3.5
137.09708	2.6
139.11148	2.4
141.07007	7.4
142.07799	16.6
143.08556	26.4
144.09303	4.9
145.06560	4.2
145.10118	39.3
145.11166	3.8
147.08066	5.4
147.11688	9.7
149.02341	45.5
149.03468	3.1
149.09637	3.3
153.07024	3.4
155.08597	13.0
156.09344	9.8
157.10141	33.2
158.10899	4.7
159.08086	4.4
159.11766	13.8
161.09653	4.1
165.06966	5.4
167.03421	5.7
167.08585	9.5
167.10750	2.7
168.09399	3.7
169.10124	17.0
170.10921	5.2
171.11656	15.2
173.09628	5.4
173.13277	11.3
175.11270	2.8
178.07777	3.9
179.08583	9.4
180.09389	2.9
181.10138	12.3
182.10933	7.7
183.11714	17.2
185.09612	2.4
185.13266	6.6
187.11166	3.4
191.08568	3.0
191.14345	5.6
192.09331	4.1
193.10045	13.1
194.10902	8.2
195.11664	15.8
196.12479	4.4
197.09666	4.0
197.13171	12.8
198.10468	2.8
198.14081	3.9
199.11235	4.2
199.14714	5.2
205.10207	3.9
206.10934	6.4
207.11667	18.1
208.12500	8.6
209.13216	14.6
211.11217	4.0
211.14845	7.1
213.12781	4.5
217.15849	2.3
218.10948	4.8
219.11710	6.4
220.12460	4.0
221.13237	13.9
223.11275	2.8
223.14915	6.5
225.12825	2.8
225.16399	3.8
227.14307	4.3
232.12485	4.3
233.13225	8.4
233.15317	4.2
234.14078	4.9
235.11142	3.2
235.14822	8.5
237.12697	4.1
237.16396	4.8
245.13266	2.5
247.14838	5.0
248.15567	2.8
249.16379	12.0
251.14343	3.2
251.17928	2.5
253.15800	2.9
257.13080	3.9
259.14780	3.5
260.15460	2.5
261.16446	6.7
263.18048	4.8
267.17563	4.7
269.13229	3.0
269.19113	4.0
271.14752	2.3
273.16193	5.3
277.19522	2.9
278.97638	2.8
279.17441	4.2
281.19012	5.0
282.19794	7.3
291.17508	3.6
293.18713	3.6
295.20544	4.1
297.18549	3.7
307.20572	3.1
331.13116	2.3
335.20139	6.3
355.24344	3.0
363.26776	2.9
373.25342	17.0
391.15286	10.2
391.26312	100.0
391.36432	5.1
392.15396	3.0
392.26584	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	391.2478
Annotation	Juruenolide E
Peak:m/z	Relative Intensity
55.05505	20.7
56.96560	8.0
57.03420	7.5
57.07062	16.2
65.03960	8.7
67.05502	45.0
69.03425	14.0
69.07052	19.5
70.64547	10.0
70.64908	8.7
71.08611	10.7
79.05491	18.4
81.07064	38.8
83.04990	23.1
83.08629	10.3
83.23542	4.6
91.05463	25.7
93.07059	23.9
95.04968	37.1
95.08610	51.2
97.06509	12.3
105.07036	34.1
107.08602	47.0
109.06525	13.6
109.10151	100.0
109.10831	8.4
111.04427	16.3
111.08073	9.0
117.06969	8.2
117.94122	3.8
119.08575	46.3
121.06490	12.1
121.10155	34.1
123.08058	14.2
123.11734	11.6
125.09606	10.7
129.07018	5.5
131.08569	18.3
133.06456	6.2
133.10121	42.3
135.08041	64.2
135.11687	17.5
137.05981	25.7
137.09651	7.6
139.03896	40.9
143.08560	17.1
145.10114	34.0
147.08029	14.1
147.11671	17.6
149.02342	87.7
149.09615	16.1
149.13260	5.8
155.08488	4.7
157.10117	17.1
159.08038	13.1
159.11700	36.1
161.09666	20.5
161.13237	18.1
163.14812	8.6
165.09163	11.7
167.03430	12.0
169.10132	9.5
170.10863	6.1
171.11705	14.2
171.52298	4.1
173.09618	14.4
173.13203	25.4
175.07564	7.9
175.11186	16.2
175.14859	11.3
177.12817	6.8
183.11696	11.0
185.13190	18.6
185.14749	5.5
187.11197	12.0
187.14880	20.2
189.09113	14.8
189.12814	8.3
191.10741	6.0
195.11618	6.8
197.13275	15.0
199.14862	8.9
201.12662	13.6
201.16406	15.6
203.10663	9.3
203.14337	14.5
207.10205	5.2
211.11331	6.8
211.14783	13.2
213.16359	6.8
215.10605	11.6
215.14265	4.7
221.15443	4.9
225.16455	6.6
227.17915	7.7
229.12291	13.5
229.15875	5.6
229.19522	8.1
237.16403	7.9
239.17912	23.6
241.19450	7.6
243.13826	5.1
253.19562	12.7
255.17453	5.4
257.19040	31.6
267.17334	5.7
267.20847	4.5
269.19052	4.5
271.20526	16.4
285.18643	30.9
299.20047	57.5
303.19559	8.0
313.17957	27.9
317.21085	6.9
331.18985	16.2
331.22751	17.4
345.24265	9.1
365.16458	5.9
373.19925	11.8
373.23917	52.0
391.21072	18.2
391.33658	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37923	2.0
55.05510	3.4
56.96568	3.1
57.03440	2.6
57.07060	8.3
65.03961	2.5
67.05508	14.7
69.07063	9.8
70.06571	3.3
71.04984	3.6
71.08630	5.2
71.59274	3.9
79.05489	8.2
81.07061	16.8
83.04971	3.5
83.08611	4.6
85.06550	3.7
86.09721	2.6
91.05486	10.7
93.07037	21.0
95.04971	2.8
95.08614	24.3
97.02886	3.1
97.06542	3.5
98.59569	2.2
102.14411	2.2
105.07037	21.6
107.08607	21.3
109.10161	22.1
111.04459	12.1
111.08126	3.1
117.07010	5.9
118.27469	1.8
119.08597	33.3
121.06487	3.2
121.10152	15.2
123.08038	4.0
123.11710	6.7
129.06981	2.2
131.08572	10.5
133.10110	19.3
135.08128	3.0
135.11690	9.7
137.09581	5.3
137.13184	2.5
143.08621	2.3
145.10117	13.6
146.99683	2.6
147.11682	14.2
149.02339	38.7
149.09518	3.3
151.11215	4.2
153.12796	3.9
157.10136	9.3
159.11678	10.7
161.09741	3.4
161.13257	6.1
163.03880	3.2
163.14818	7.5
167.03458	3.7
169.10167	3.5
171.11685	5.7
173.09540	2.1
173.13281	7.6
175.14816	3.5
183.11710	3.3
185.13283	3.3
187.14812	7.2
189.16389	3.9
197.13275	6.7
201.16380	2.7
211.14804	3.7
215.10788	2.6
229.12305	3.1
233.15334	2.6
239.17932	4.9
243.13873	2.9
253.19588	2.8
257.19052	6.3
262.22653	2.6
271.20459	4.1
275.20074	5.0
281.18915	3.0
289.21613	3.1
299.20029	21.5
317.17822	3.9
317.21118	26.7
329.32471	9.1
335.19067	9.7
353.20090	3.6
358.20776	2.8
391.24588	100.0
391.36163	24.1
392.25159	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.5
56.96538	0.4
57.07066	0.9
59.15427	0.4
63.00810	0.4
67.05497	0.8
69.07076	0.5
70.12888	2.0
71.08626	0.8
77.74527	0.4
79.05497	0.5
80.38941	0.4
81.07063	1.0
91.05472	0.6
93.07050	0.4
95.08595	1.0
98.21514	0.5
105.07026	0.7
107.08590	0.9
109.10171	0.6
111.04465	0.4
121.02849	0.4
121.06526	0.9
121.10114	0.6
131.08589	0.4
133.10120	0.4
145.10138	0.7
149.02338	7.8
153.12764	1.1
163.03923	1.0
167.03426	1.3
184.83176	0.4
214.31937	0.4
317.19885	0.5
321.16718	0.6
351.18576	1.6
369.19409	0.8
391.24542	100.0
392.24921	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.7
55.01875	2.3
55.05513	13.8
57.03437	6.0
57.07085	5.2
58.06588	1.4
58.99582	4.3
61.02926	2.4
67.05506	9.4
69.03424	9.4
69.07072	18.5
70.06599	8.3
71.05000	8.6
71.08630	6.4
71.60192	2.2
71.60554	1.8
73.02915	3.8
76.02628	1.3
79.05500	6.8
81.03439	3.1
81.07065	27.8
83.04994	4.7
83.08618	9.9
84.04517	6.8
84.08100	1.8
85.02912	31.8
85.06548	14.4
86.09706	10.0
86.99072	3.2
87.04477	6.7
91.05486	14.5
93.07042	13.7
95.05001	2.7
95.08614	36.9
97.02881	8.3
97.06536	8.5
98.97607	2.8
99.08077	2.8
101.05995	1.8
104.05328	1.7
105.07047	32.8
106.07379	1.8
107.04989	1.9
107.08613	17.2
109.02882	3.0
109.06503	4.5
109.10163	17.7
111.04481	3.5
111.08084	4.7
114.89715	1.5
115.03924	1.8
115.07560	15.0
116.01694	18.7
116.07088	4.0
117.01991	2.0
119.04977	7.6
119.08594	58.0
120.08115	4.0
121.02877	4.0
121.10146	10.6
123.08065	6.2
123.11749	4.0
125.09666	3.2
127.03938	6.2
127.07571	6.4
130.54828	1.7
131.08553	4.0
133.06519	2.9
133.10139	35.3
135.04410	2.1
135.08078	3.5
135.11667	12.7
137.05981	7.2
137.09561	1.8
137.13234	3.5
141.09099	4.8
144.01147	6.4
145.04945	4.4
147.04420	29.2
147.11690	10.5
148.04842	1.8
149.02344	52.6
149.13269	4.4
151.03906	2.9
157.07703	1.9
161.01201	1.9
161.06000	3.7
162.02222	21.4
162.06425	3.2
163.03960	2.5
163.14856	4.2
165.16367	1.6
167.03409	6.1
167.07094	2.0
171.02072	4.3
171.53210	1.8
175.14838	100.0
176.15182	1.7
188.05583	2.1
188.07082	2.2
193.12260	3.2
193.15891	65.4
194.08998	2.9
195.10225	2.4
211.16954	21.2
213.11218	2.5
221.05170	3.8
229.18008	56.2
257.07742	5.6
262.10999	4.1
265.09479	1.8
289.11218	1.8
291.06741	3.0
316.14334	2.6
373.18527	2.6
391.15536	17.1
391.22708	1.7
403.14420	3.7
411.40628	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01867	4.8
55.05524	9.5
56.96565	3.4
57.03432	2.0
57.07069	6.0
65.03928	3.1
67.05508	16.1
67.61158	1.7
69.03430	17.4
69.07059	11.4
70.98573	4.3
71.04962	2.5
71.08623	6.7
79.05497	18.9
80.57492	1.8
81.03421	4.7
81.07057	27.9
83.04980	5.4
83.08620	4.9
85.02923	2.7
91.05481	30.9
93.07037	41.2
95.04971	9.8
95.08608	26.5
95.39425	1.8
97.02891	27.7
97.06535	16.2
103.05453	3.3
105.07030	48.5
107.04957	5.7
107.08596	39.1
109.02866	3.2
109.06524	17.2
109.10160	17.4
111.04420	4.4
111.08091	6.6
115.05483	3.3
117.07004	6.2
119.04972	2.2
119.08581	98.1
120.08953	3.2
121.02867	2.6
121.06506	8.9
121.10152	28.8
123.04438	5.6
123.08069	25.4
123.11715	10.9
124.08857	2.8
125.09630	100.0
126.09951	2.8
128.06250	3.5
129.07043	3.5
131.08560	5.8
133.06483	7.2
133.10138	73.3
135.04434	3.4
135.08060	6.7
135.11726	10.9
137.05986	4.6
137.09648	12.0
139.03918	4.1
143.08556	11.2
145.06483	4.2
145.10109	9.8
146.07249	2.9
147.04419	1.7
147.08046	53.0
147.11687	3.3
149.02344	43.3
149.05992	2.7
149.09573	2.3
151.07542	5.4
151.11224	8.9
157.10147	6.3
159.08083	3.8
159.11696	6.4
161.02307	2.6
161.05969	3.8
161.09625	48.9
161.13283	3.7
163.03896	11.7
163.07559	2.3
163.11165	7.3
163.14867	2.1
165.09123	50.2
167.03423	5.8
167.07048	5.4
169.10127	2.4
171.08043	3.2
171.11644	2.4
173.02402	4.5
173.09624	1.9
173.13234	2.8
175.07631	2.4
175.11220	3.1
177.05446	2.8
179.10670	33.4
183.11653	2.9
185.13176	3.1
187.14838	5.9
188.15154	1.9
189.09100	33.8
190.09488	3.4
193.08607	4.0
201.16418	3.6
203.10783	2.1
207.10147	55.1
207.12048	2.8
211.07707	2.1
215.07076	6.5
215.10803	2.3
225.11218	5.0
229.15939	2.0
233.19095	2.6
249.11229	35.3
250.11552	3.2
259.09772	16.0
267.12253	69.2
268.12906	2.1
271.17001	3.6
285.18564	4.7
289.18051	3.7
313.17938	5.4
331.19003	9.0
388.19885	2.7
391.21198	10.8
391.33490	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	391.2113
Annotation	Longirabdolide F
Peak:m/z	Relative Intensity
55.01867	3.0
55.05298	1.3
55.05509	14.1
56.86843	1.3
57.07055	4.6
65.03937	13.2
67.05498	14.2
69.03426	10.1
69.07067	18.7
69.59866	2.3
69.60254	10.2
71.04976	1.8
79.05489	10.0
79.41611	1.3
81.03410	2.4
81.07056	20.6
83.04968	4.9
83.08607	7.1
91.05472	13.4
93.07037	11.3
95.04977	7.4
95.08603	40.0
97.02879	2.5
97.06506	2.5
97.10161	3.4
99.08085	2.8
103.05370	1.4
105.07022	21.1
107.04956	4.7
107.08594	18.6
109.06532	14.1
109.10145	11.8
111.04440	33.4
111.05197	2.0
111.08064	5.0
111.11729	1.9
113.05994	1.7
117.07001	4.7
119.04987	2.0
119.08582	31.8
121.06505	2.6
121.10134	15.1
123.08062	7.0
123.11695	7.1
125.05971	3.1
125.09605	5.8
127.04052	1.5
128.06175	1.8
129.06958	3.5
130.07800	3.9
131.04987	1.4
131.08588	11.8
133.06499	6.2
133.10143	23.6
135.08017	7.6
135.11662	5.2
137.05956	3.4
137.09596	3.0
137.13275	2.5
139.03900	100.0
142.07799	5.1
143.08563	8.7
144.09364	1.8
145.06442	5.8
145.10107	16.7
147.08029	10.5
147.11691	13.3
149.02342	15.1
149.09613	5.4
149.13235	5.5
151.11102	1.4
153.05469	7.4
155.08574	4.0
156.09378	3.7
157.10130	16.5
158.10794	2.0
159.08060	15.6
159.11707	14.8
161.05927	2.6
161.09639	19.4
161.13251	7.1
163.07581	5.0
163.11182	4.4
165.05441	2.3
165.09157	4.5
167.03400	2.6
167.07086	1.8
167.08469	1.3
168.09378	2.1
169.10143	8.6
170.10857	3.5
171.08067	2.5
171.11696	11.4
172.12384	1.6
173.09628	18.3
173.13263	7.6
175.07567	5.5
175.11169	9.8
175.14787	1.6
177.09085	4.8
179.07031	4.2
179.10704	3.0
181.10080	1.9
183.11659	10.6
185.09674	6.7
185.13237	14.0
186.13805	1.8
187.07559	2.1
187.11165	12.2
187.14842	7.6
189.09125	19.8
189.12675	6.8
191.07022	1.6
191.10654	2.5
191.14258	1.9
193.08601	5.9
195.11749	3.5
197.09653	5.1
197.13315	6.6
199.11206	5.8
199.14835	4.3
201.09148	5.8
201.12706	5.3
201.16388	2.3
203.07054	3.2
203.10680	8.0
203.14281	4.6
205.08640	5.9
207.10060	6.6
208.12560	1.5
209.13309	3.1
210.14011	1.6
211.11176	5.5
211.14874	6.0
213.12738	4.0
215.10719	8.6
215.14375	3.5
215.17809	1.7
217.08612	4.3
217.12270	4.4
219.10150	5.1
221.08018	7.1
223.14917	2.4
225.12798	3.7
225.16383	8.6
227.14345	3.8
229.12289	3.7
229.15880	5.4
231.10214	1.6
231.13799	2.6
233.11760	3.0
235.09711	3.7
239.14374	2.4
239.17982	4.8
241.12149	1.6
241.15886	5.9
243.10167	4.9
243.13814	3.9
243.17493	6.0
245.15457	1.6
247.13258	5.3
251.16338	3.5
253.15939	4.2
257.11746	2.0
257.15305	1.4
257.19031	5.5
259.13199	2.7
261.11292	2.0
267.12335	3.1
267.17477	13.7
269.15372	2.1
269.18994	3.3
271.16882	8.0
277.15857	1.8
285.18478	67.4
286.18793	4.2
287.16406	8.3
287.19678	2.6
289.17981	4.6
295.16879	11.1
303.19537	24.2
313.17960	61.1
314.18350	2.9
321.13327	1.9
331.19040	44.4
332.19379	3.0
345.20563	15.2
355.18646	2.1
373.20087	40.8
373.24628	2.9
374.20456	1.4
391.21136	46.3
392.21280	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2113
Annotation	Picrasin D
Peak:m/z	Relative Intensity
53.03936	2.4
55.01875	2.9
55.05511	8.2
57.07075	2.6
67.05490	9.0
69.03431	15.6
69.07061	4.1
71.04984	1.9
71.08590	1.6
71.57217	2.2
79.05496	12.8
81.03406	2.9
81.07056	19.8
83.04985	4.3
83.08637	1.7
85.02898	2.7
88.45293	1.3
89.94163	1.3
91.05480	28.3
93.07042	33.1
95.04947	6.8
95.08599	14.2
97.02897	17.0
97.06506	3.5
98.97590	1.4
99.04438	2.3
103.03930	2.0
103.05451	1.3
105.07030	39.9
107.04942	4.0
107.08592	28.1
109.02859	1.9
109.06519	20.4
109.10161	11.8
111.04421	4.5
111.08079	4.2
115.05434	1.5
117.07001	4.9
119.04961	1.5
119.08578	100.0
121.06487	6.2
121.10152	20.0
123.04425	2.5
123.08065	22.3
123.11703	8.6
124.08829	2.2
125.09628	97.4
126.09973	3.0
127.03911	2.0
128.06210	3.6
129.07082	1.9
130.07794	1.3
131.08539	1.8
133.06514	2.2
133.10127	72.2
135.11717	7.5
137.05977	4.3
137.09575	9.5
143.08572	9.8
145.06476	2.4
145.10112	5.2
146.07233	1.4
147.04338	1.5
147.08041	43.7
147.11600	1.6
149.02351	19.0
149.06003	2.3
149.09544	1.7
151.07556	2.5
151.11182	8.1
151.14801	1.5
157.10109	2.4
158.77943	1.3
159.08012	2.2
159.11725	1.6
161.08279	2.7
161.09616	45.9
163.07504	1.7
163.11186	6.9
165.07771	2.8
165.09116	47.8
166.09509	1.9
171.08075	1.6
171.26746	1.5
177.09076	1.7
179.10678	33.6
189.09119	37.6
203.10709	1.4
207.10159	54.7
208.10497	3.6
209.68883	1.4
225.11218	3.7
249.11212	42.3
267.12271	75.0
268.12646	1.7
271.16989	4.1
282.03809	1.5
285.18512	3.2
289.17844	3.8
313.17908	2.3
321.13339	1.5
321.68323	1.9
331.19077	7.3
348.24826	2.7
348.58374	1.5
390.93961	2.4
391.21069	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01862	2.6
55.05515	7.3
57.03450	1.5
57.07067	2.7
59.05000	1.1
59.75766	1.0
67.05498	8.4
69.03432	13.1
69.07070	9.8
69.72632	7.9
79.05490	11.7
79.21006	1.1
81.03428	1.3
81.07066	19.8
83.04971	4.7
83.08627	3.8
84.27958	1.1
85.02897	4.7
85.21936	1.1
91.05485	21.1
92.05811	1.2
93.07049	30.7
95.04993	7.3
95.08602	13.6
97.02896	14.0
98.20797	1.4
99.04488	1.9
102.45830	1.2
103.03959	1.9
105.01857	3.1
105.03428	1.4
105.07034	37.6
106.07322	1.8
107.04960	3.6
107.08603	34.1
108.08917	1.4
109.02885	1.4
109.06518	17.2
109.10166	8.9
111.04432	2.4
111.08086	5.4
117.07060	6.1
118.07831	1.3
119.04893	1.3
119.08583	96.2
120.08945	2.6
121.06511	5.7
121.10146	22.1
123.04469	2.0
123.08079	19.8
123.11707	8.3
124.08838	1.9
125.09634	100.0
126.09990	9.4
127.03908	2.4
128.06223	3.3
129.06979	1.4
131.08569	4.0
133.06491	2.9
133.10135	67.6
134.10425	2.8
135.08141	1.8
135.11696	8.6
137.06017	2.8
137.09604	11.6
137.48860	1.1
139.03926	1.7
143.08572	12.3
144.08899	1.3
145.06459	1.5
145.10139	4.6
147.04425	2.1
147.08049	42.7
148.08401	1.8
149.02322	7.6
151.11203	7.7
157.10156	1.9
161.09618	44.2
162.09938	1.8
163.11230	5.6
165.09117	47.6
166.09477	2.1
169.10187	1.5
171.08049	2.7
175.11127	1.5
177.09119	1.1
179.10674	33.0
180.11066	1.5
189.09103	41.1
189.12723	1.3
203.10722	1.3
207.10164	47.2
208.10532	2.8
221.11618	2.0
225.09296	1.2
225.11098	5.7
225.87387	1.5
226.11592	2.7
249.11232	34.7
267.12286	72.6
268.12720	2.2
271.17059	1.4
285.18491	2.6
289.17999	3.5
313.17874	2.5
331.19046	3.3
391.21280	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	391.2116
Annotation	Longirabdolide G
Peak:m/z	Relative Intensity
55.01881	1.2
55.05294	1.0
55.05514	10.0
57.07067	1.3
65.03933	6.2
67.05507	9.3
69.03432	5.4
69.07076	8.3
70.87265	1.6
70.87608	1.4
79.05494	6.0
81.03417	1.8
81.07059	16.6
83.04973	3.4
83.08626	4.6
91.05489	8.5
93.07056	9.2
95.04990	5.4
95.08606	27.7
97.02877	2.4
97.06516	2.1
97.10165	7.2
105.06380	1.3
105.07029	14.1
107.04935	1.9
107.08605	11.3
109.06532	13.5
109.10163	7.4
111.04427	18.1
111.08064	3.4
115.05502	1.2
117.07040	4.5
118.64648	0.9
119.04940	1.0
119.08577	26.9
121.06509	1.4
121.10148	10.8
123.04395	1.1
123.08091	5.6
123.11700	2.9
125.02304	1.1
125.06051	2.1
125.09622	5.3
129.07002	1.7
131.08562	5.9
133.06490	2.3
133.10144	22.3
135.08063	4.9
135.11700	3.5
137.06023	1.2
137.09608	2.5
139.03903	40.7
140.04201	1.0
141.07004	1.3
142.07846	2.3
143.08560	4.4
145.06473	2.4
145.10121	10.6
145.32933	0.9
147.04422	1.7
147.08037	9.6
147.11696	5.3
149.02333	8.3
149.09612	3.2
149.13245	4.0
151.11243	1.1
153.05450	4.7
155.08575	3.3
156.09366	1.8
157.10141	7.9
159.08089	7.7
159.11684	8.3
161.05994	1.7
161.09619	16.3
161.13251	2.5
163.07553	3.9
163.11171	1.1
165.05557	1.8
165.09119	4.1
169.08743	1.6
169.10107	5.2
170.10901	1.4
171.08147	1.6
171.11656	4.8
173.09654	6.5
173.13310	4.2
175.07562	3.8
175.11226	3.4
177.09131	6.0
178.72919	1.0
179.10735	2.5
183.11703	3.3
185.09625	2.0
185.13237	3.1
187.07568	2.1
187.11183	4.1
187.14827	4.0
189.09106	9.9
189.12756	2.9
191.10680	1.7
191.14365	1.0
193.08617	2.0
195.11723	1.5
197.09555	2.3
197.13255	2.9
199.11230	2.1
201.09119	3.0
203.10663	7.2
205.08569	3.7
205.12341	1.4
207.10136	5.2
207.11816	1.2
209.11618	1.1
211.11176	2.5
211.14868	2.7
213.12718	1.2
215.10689	8.1
215.14238	1.3
217.08559	1.3
217.12361	1.5
219.10162	2.3
221.11746	1.6
223.09631	1.7
225.16318	5.7
227.17947	1.2
229.15900	3.0
231.13943	1.0
235.09631	2.6
237.11333	2.2
239.17946	2.6
243.10098	2.0
243.13863	1.9
243.17400	3.7
247.13289	1.1
249.11226	2.1
251.16617	1.7
253.15823	2.7
257.19025	2.7
261.11255	2.9
265.10660	6.1
267.12299	7.4
267.17349	4.6
271.13483	1.0
271.16864	5.8
277.15976	1.3
285.18484	11.6
289.17975	5.2
295.16873	6.2
303.19415	4.9
309.13531	1.2
313.17953	13.3
314.18372	1.7
321.13318	5.3
327.19885	1.9
331.19025	11.7
332.19342	1.2
345.20728	3.0
354.66946	1.0
355.19183	1.6
373.20135	10.6
391.21149	100.0
392.21469	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	391.2115
Annotation	Oreskaurin B
Peak:m/z	Relative Intensity
55.01876	2.7
55.05510	5.8
59.04989	1.2
67.05501	7.9
69.03428	11.1
69.07065	2.8
69.79861	6.6
71.08659	1.4
79.05492	14.1
81.07057	15.9
83.04986	3.3
83.08641	1.1
91.05486	23.8
93.07049	30.5
95.04958	7.1
95.08609	16.2
97.02895	14.9
97.06545	2.4
98.20725	1.2
103.03924	2.2
103.05455	1.0
105.03391	1.1
105.07034	38.7
106.07360	0.9
107.04939	2.5
107.07866	1.6
107.08597	32.5
109.06531	15.5
109.10157	10.3
111.04475	3.5
111.08084	5.1
115.65869	0.9
117.07001	4.8
119.04972	1.2
119.08585	94.7
120.08929	2.9
121.06490	7.6
121.10147	23.4
123.04430	1.0
123.08073	24.0
123.11711	7.1
124.08875	1.6
125.09634	100.0
128.06235	4.0
129.07004	1.4
130.07782	1.6
131.08575	5.1
133.06522	3.4
133.10135	75.9
134.10484	1.5
135.08052	4.5
135.11685	8.0
137.06003	2.9
137.09634	9.6
139.03909	1.2
143.08562	11.7
145.06503	2.2
145.10123	4.7
146.07317	1.4
147.08047	45.7
148.08717	0.9
149.02348	7.6
149.05984	1.5
149.09631	1.4
151.07574	2.2
151.11172	8.6
159.11700	1.1
161.09628	51.0
162.09987	1.6
163.03857	1.5
163.11165	5.7
165.09125	52.2
166.09499	1.5
167.03436	1.3
171.08023	1.9
171.11772	1.6
175.11137	1.9
179.09079	2.0
179.10672	36.6
180.10970	1.4
181.10251	1.0
185.13388	1.2
187.14799	1.8
189.07397	2.3
189.09103	40.3
192.43759	1.2
203.10666	1.2
207.10168	49.2
215.10670	1.2
221.11742	2.7
225.11226	3.7
249.11235	38.8
250.11484	1.5
253.15898	1.3
267.12283	75.4
268.12552	2.0
271.16956	3.5
285.18402	2.5
289.18002	3.1
295.16895	1.6
303.19519	1.4
313.18048	3.4
331.19055	6.8
359.74887	1.1
373.20099	1.5
391.21332	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	391.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
54.65157	1.6
55.01871	2.6
55.05505	6.1
57.03436	2.0
57.07064	4.1
60.28273	1.4
65.03928	3.1
67.05495	6.5
69.03423	10.4
69.07056	3.9
70.78371	4.4
71.08622	3.6
79.05492	14.2
81.03379	1.8
81.07057	19.6
82.78983	1.3
83.08627	1.5
84.91662	1.7
85.02865	2.3
85.75890	1.4
91.05480	28.2
92.05801	1.7
93.07037	35.1
95.04973	6.5
95.08608	10.9
97.02879	11.5
97.06515	2.2
103.03908	2.0
103.05451	2.6
105.07024	37.8
107.04910	3.8
107.08586	29.5
109.06509	18.7
109.10139	10.2
111.04447	4.3
111.08083	5.0
117.07010	4.6
119.04947	1.5
119.08577	100.0
120.08892	2.3
121.06508	5.6
121.10129	20.3
123.04397	3.1
123.08060	20.7
123.11700	9.4
125.09624	98.4
126.09977	2.0
128.06215	4.4
129.07039	2.0
131.04980	2.0
131.08582	3.7
133.06473	2.5
133.10127	70.9
134.10483	2.0
135.08057	5.4
135.11710	9.3
137.05972	4.0
137.09598	9.8
141.05302	1.6
143.08578	10.0
145.06525	2.5
145.10098	5.5
147.08037	39.4
149.02338	23.0
149.09650	2.5
151.07501	2.3
151.11200	5.8
156.43379	1.4
157.10175	2.0
159.11778	2.9
161.09599	47.9
163.07545	4.2
163.11156	7.0
165.09117	44.0
167.03334	3.0
171.08073	2.6
179.10667	39.2
187.14787	1.5
189.09108	34.5
207.10161	46.1
225.11247	5.5
229.15619	1.9
249.11215	37.1
267.12262	78.5
268.12634	2.9
271.16943	2.4
285.18497	2.4
289.17960	4.2
313.17877	3.8
317.91135	1.7
331.18982	6.4
391.21182	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	391.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58975	1.6
53.03937	5.7
55.01865	5.9
55.05497	5.1
57.03429	2.9
57.07060	1.8
58.42717	1.8
61.02929	4.2
64.95154	1.6
67.05503	3.0
68.99763	2.6
69.03426	21.5
69.07061	3.4
71.04992	24.8
71.08622	3.8
71.75181	1.6
72.07452	1.7
73.02915	5.9
73.06542	3.6
79.05466	3.8
81.03416	25.4
81.07025	3.6
83.04973	5.8
83.08598	6.9
83.10776	1.7
85.02905	49.3
85.06555	9.0
87.00829	23.5
87.74171	1.9
91.05463	2.9
93.07043	2.1
95.04955	6.4
97.02891	16.9
97.10168	7.7
99.04459	10.0
105.01875	11.7
105.07025	3.8
107.08594	58.9
109.02895	17.4
117.01840	2.9
121.10133	1.9
125.09628	100.0
127.03920	29.7
129.01843	2.1
137.05974	2.3
137.61520	2.0
140.17281	1.7
143.10669	88.6
144.10890	1.7
145.04958	14.6
147.02899	2.5
149.02328	14.4
159.02905	14.7
160.14073	1.7
161.06026	2.2
167.07162	3.6
167.10695	4.4
213.03914	2.3
231.05046	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01873	1.2
55.05503	0.7
57.03426	2.4
57.07072	1.5
59.04985	0.5
61.02927	1.0
65.03934	0.5
67.05480	1.1
69.03074	0.6
69.03434	8.2
69.07081	0.6
69.79506	0.4
70.06593	1.7
71.04981	1.6
71.08627	1.5
71.58650	0.8
72.08150	1.6
73.02920	0.6
81.03424	10.8
81.07066	0.8
83.04987	1.6
84.04514	0.7
84.08127	0.8
85.02425	0.7
85.02914	10.5
86.09718	1.5
87.04489	0.5
91.05506	1.7
93.07026	1.1
95.04974	1.8
97.02909	3.7
98.97605	0.7
99.04465	3.3
103.03951	7.4
103.05497	0.5
105.07018	0.7
107.04969	0.8
109.02889	8.0
109.06545	0.6
111.04447	2.2
115.03920	1.3
116.98603	0.8
119.01923	0.9
119.04935	1.0
120.08092	0.6
121.02842	0.6
123.04434	1.8
125.02390	0.8
127.03927	15.8
128.98669	0.5
129.10236	1.1
131.04843	0.4
133.06429	0.5
137.05991	2.8
139.03876	0.7
143.03322	0.6
145.03798	0.8
145.04984	6.4
147.04434	2.7
149.02348	13.0
149.06013	0.7
151.03931	1.3
155.01901	0.5
163.03848	0.7
165.05551	0.7
167.03384	1.0
169.04999	2.2
172.95245	1.0
173.02896	0.6
176.68056	0.5
177.05412	0.6
185.04469	0.6
187.06029	4.9
189.05585	0.6
193.05043	0.6
204.70622	0.6
215.05574	0.5
229.07024	5.1
235.06081	0.6
253.07140	1.1
271.08160	1.0
275.07281	0.6
304.05389	0.7
307.05917	0.6
308.06445	0.9
313.09320	0.9
326.07425	0.5
353.22931	0.5
361.13486	1.1
373.10126	0.6
391.15771	100.0
392.16077	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	391.1239
Annotation	4163-59-1
Peak:m/z	Relative Intensity
51.92556	1.6
53.03957	10.9
55.01876	6.6
55.05515	3.6
56.96564	2.3
57.03445	9.9
57.07095	3.7
61.02928	5.5
65.03956	1.9
67.05511	4.8
69.03433	49.5
69.58202	3.3
69.58607	9.2
70.06591	4.2
71.01357	3.1
71.04987	8.0
71.08630	2.9
72.08158	2.2
73.02929	5.0
79.05515	3.6
81.03424	67.1
81.07051	3.9
83.04979	9.5
84.08131	1.6
85.02913	63.4
85.03432	3.2
85.06554	2.0
86.09718	3.4
87.21629	1.4
91.05495	4.8
93.07072	4.1
95.04971	9.0
97.02911	21.7
97.06557	1.9
99.04465	14.8
101.02378	3.2
101.42926	1.5
103.03954	39.9
105.07043	2.2
107.04956	2.5
107.08620	2.8
109.02895	55.0
109.06510	1.8
111.04457	11.7
115.03939	4.7
116.98656	1.9
119.04970	3.2
120.08039	1.8
121.02901	3.0
123.04446	7.3
125.02376	6.0
127.03928	100.0
127.07514	1.7
128.04283	3.3
129.05470	2.0
129.10278	1.9
130.06512	1.5
131.56953	1.6
132.08167	1.9
137.06004	9.9
139.03926	4.4
141.05489	2.9
143.03403	2.2
145.04970	37.9
147.04419	8.0
149.02344	32.5
151.03920	5.7
161.01233	1.7
161.06006	3.3
163.03926	1.9
165.05505	3.2
167.03415	3.7
169.05006	15.1
172.95248	3.5
175.03973	1.7
177.05518	2.6
187.06046	32.4
190.96364	2.0
193.05003	4.0
205.05223	2.2
205.07068	2.7
215.05341	3.4
217.04991	2.7
229.07068	31.2
235.06108	5.7
245.06509	1.5
253.07048	4.4
271.08224	4.5
295.08075	2.0
313.09225	3.6
391.14255	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	390.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27924	0.3
54.58525	0.3
55.05499	1.2
56.96550	0.6
57.07076	5.5
58.06599	1.8
69.07063	0.8
69.47108	1.5
69.47528	1.7
69.79462	0.3
70.06593	16.7
71.08631	2.1
72.08155	2.4
81.07084	0.6
84.08138	1.6
85.10165	0.8
86.09708	2.9
88.07633	6.5
89.06042	0.7
93.07040	0.4
95.08600	0.5
97.06616	0.3
102.09183	2.7
103.73959	0.3
105.07047	0.5
108.38945	0.4
109.10157	0.7
114.09193	0.8
119.08572	0.6
132.10211	6.9
135.11752	0.4
146.11763	7.6
149.02353	3.0
167.03369	0.4
216.32617	0.4
240.26904	2.3
266.28433	1.2
284.29471	13.1
328.32095	36.8
329.32425	1.8
348.89951	0.4
372.34729	0.8
381.64606	0.4
390.23721	3.4
390.35770	100.0
391.13736	0.4
391.36066	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	390.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
55.05511	4.1
56.70938	1.0
57.03429	1.6
57.07087	1.2
61.02934	1.3
67.05505	3.7
69.03439	4.7
69.07069	9.9
69.58169	1.2
70.86420	1.0
71.00762	2.8
73.02913	1.1
79.05494	7.7
81.03415	2.9
81.07060	4.6
83.04985	2.6
83.08589	1.7
85.02912	15.3
85.06564	1.3
86.67674	0.9
91.05485	35.7
93.07065	5.9
95.04967	3.5
95.08610	2.5
97.02882	6.7
97.06525	3.9
97.07671	3.6
98.97578	1.1
99.04480	1.6
100.11263	4.0
103.05453	2.5
105.07035	30.8
105.41197	1.0
107.04960	2.3
107.08616	5.4
109.02908	2.3
109.06502	4.6
109.10173	1.3
111.04474	1.6
117.06995	1.4
119.07787	2.1
119.08588	26.7
121.10107	2.3
123.04464	1.5
125.06020	4.0
125.07114	6.2
125.09669	2.9
127.03924	3.7
129.07005	1.3
131.04865	1.0
131.08553	5.4
133.10136	100.0
134.10497	1.8
137.05995	7.0
140.10612	1.5
142.12340	1.0
145.05008	1.4
147.07982	1.4
147.11694	18.8
149.02390	1.6
149.05966	1.4
151.07573	9.6
151.11194	4.8
153.13779	1.1
161.06070	1.6
163.03909	1.7
165.09135	2.4
167.07072	12.2
168.07393	7.2
168.10248	1.5
175.07629	1.3
175.11208	12.3
177.05527	1.8
179.11838	1.3
180.07368	1.1
181.13432	3.0
182.15469	1.6
193.12256	97.5
194.12602	3.5
199.14441	3.5
207.10107	1.1
211.13315	3.9
215.07016	2.2
221.15878	1.1
259.09625	3.3
265.08371	1.4
372.15027	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.0
56.96565	1.8
57.03429	1.7
61.02911	2.9
69.03429	8.6
70.17243	1.1
70.74084	1.1
70.74477	2.9
73.02900	1.3
78.91726	0.9
79.05489	3.9
81.03399	2.6
85.02910	20.3
86.09730	1.0
87.04500	2.1
91.03932	1.1
91.05473	6.6
93.07066	2.0
95.04959	1.6
97.02906	6.8
98.97588	4.3
103.05473	6.8
105.07037	47.5
107.04961	1.9
109.02878	1.9
109.06532	1.8
115.03933	1.7
115.05436	9.3
116.98648	3.3
118.04174	3.1
119.04968	5.2
121.06525	1.7
127.03900	3.0
128.98602	1.0
131.04907	2.1
133.06499	50.5
133.11229	0.9
134.03615	1.1
140.08138	2.2
143.06023	2.9
145.04970	2.7
146.99654	1.8
147.04390	1.9
147.08035	1.0
149.05992	2.6
151.07544	3.7
153.05487	2.6
154.94209	2.0
161.05989	100.0
162.06305	2.0
165.09061	2.1
167.07033	1.7
168.07820	1.4
170.99712	1.4
172.95267	4.9
173.54099	1.0
177.00703	1.1
177.05479	2.5
179.07065	1.4
180.08650	3.4
190.96329	2.4
193.08617	79.9
196.07283	1.4
200.46036	1.0
201.00761	1.0
211.09680	17.3
219.01750	2.0
228.12274	2.7
237.02823	4.8
286.28876	1.1
289.05042	2.1
293.09058	6.8
294.09335	1.1
307.06204	3.3
312.41751	1.0
325.07220	3.0
367.08252	1.2
390.18008	2.5
391.15710	19.9
407.12283	7.5
408.12506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
58.97299	1.0
61.02926	2.2
66.49591	1.0
67.94916	1.1
69.03437	4.4
70.85252	2.7
70.85599	1.4
73.02909	1.2
73.50481	1.1
79.05488	4.4
81.03404	2.1
83.04955	1.1
85.02902	13.9
91.05486	4.5
95.04964	1.2
97.02888	3.8
103.05447	5.6
105.07034	42.3
107.05013	2.3
109.02871	2.0
109.06536	1.9
115.05463	9.4
118.04156	3.4
119.04954	7.1
121.06503	1.8
124.07607	1.6
127.03925	1.4
131.04985	1.6
133.06496	43.4
137.05966	1.4
143.04936	1.3
143.06061	1.8
145.04944	3.9
147.08063	1.7
149.06006	2.9
151.07542	3.7
153.05495	2.8
161.05988	100.0
162.06369	2.0
165.09085	2.1
167.07048	2.1
168.07849	3.0
179.07082	1.4
180.08675	3.2
183.33713	1.0
184.63855	1.1
193.08614	76.5
194.08945	1.6
196.07231	1.4
211.09660	15.9
390.18283	1.7
391.15848	4.9
407.11935	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2687
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
55.05509	17.6
64.87212	5.7
66.34960	5.1
67.05502	28.9
69.03437	81.6
69.07068	42.3
71.04975	6.4
71.58765	4.5
71.59166	9.2
79.05503	24.5
81.07045	52.3
83.08624	14.5
85.06523	6.5
86.09721	6.0
91.05468	14.4
93.07037	52.4
95.05005	10.6
95.08604	100.0
97.06591	9.1
97.10184	10.3
102.90009	5.2
105.07029	31.2
107.08599	61.7
107.20158	5.2
109.10160	86.2
109.82835	4.9
117.07033	4.6
119.08582	60.1
121.10145	72.5
123.08051	6.0
123.11726	22.0
131.08575	8.3
133.10138	29.5
135.08099	5.1
135.11707	53.0
137.09607	13.4
145.10156	10.5
147.11711	35.0
149.13269	40.9
159.11685	21.3
161.13315	32.1
163.14844	37.3
173.13283	21.7
175.11183	10.7
175.14825	18.8
177.12807	8.5
177.16463	6.6
184.07332	7.3
187.14812	19.3
189.16376	14.2
191.17900	30.2
201.16333	10.7
203.17950	34.2
207.13843	6.2
208.15916	5.4
215.17949	11.8
229.15971	6.4
233.15363	7.2
247.16927	19.1
257.22717	38.4
261.18542	6.3
267.21130	8.0
285.22113	29.8
303.23148	87.1
304.23508	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	389.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	21.5
58.26535	10.7
63.95293	10.9
67.05497	51.7
69.07050	33.2
70.19328	56.4
71.04983	40.0
71.37260	11.8
79.05480	20.8
81.07050	35.5
91.05481	26.7
93.07047	65.0
95.04962	11.9
95.08601	95.1
96.08970	10.5
103.75664	13.2
105.07027	48.3
107.08595	62.2
109.10170	45.1
111.04404	22.8
119.08588	46.0
121.10148	49.0
123.11705	18.0
133.10130	27.2
135.11702	41.8
145.10143	24.4
149.13214	19.2
157.10011	14.7
159.11699	28.4
161.13326	15.6
173.13239	23.0
187.11172	13.3
187.14822	15.4
191.17941	17.0
203.17989	16.2
255.21042	15.3
283.20609	24.9
301.21677	100.0
319.22733	32.0
336.09708	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	389.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01869	22.4
55.05506	11.4
57.03432	6.0
57.07060	5.0
59.04990	1.7
61.02929	7.9
65.03928	1.8
67.05502	23.0
69.03130	1.7
69.03433	18.4
69.07063	26.5
70.85175	2.9
70.85501	1.4
71.04990	100.0
71.22121	1.3
73.02919	3.0
79.05493	13.2
81.03416	9.9
81.07053	47.3
83.01315	1.3
83.04974	3.1
83.08612	19.8
85.02903	72.1
85.06538	34.2
87.04463	4.5
91.05486	7.5
93.07038	25.4
95.04973	21.8
95.08606	68.1
97.02884	17.0
97.06527	97.3
97.10152	7.2
98.06859	1.3
99.04442	5.1
99.08095	11.8
100.11266	1.9
103.05489	2.1
105.07011	5.0
107.04974	2.4
107.08592	28.4
109.02881	8.1
109.06539	2.3
109.10152	55.5
111.08072	6.6
111.11691	2.0
113.09648	3.2
115.03948	1.6
117.07061	1.6
119.08572	5.1
121.06556	1.9
121.10140	22.9
123.08101	1.4
123.11695	19.4
125.05998	2.5
125.09624	5.4
125.13287	1.6
127.03922	13.6
127.11205	9.2
131.04901	5.0
131.08554	3.4
133.06464	1.8
133.10146	4.2
135.11685	31.1
137.05974	9.3
137.13289	1.9
139.06544	1.6
139.07530	3.5
139.11168	2.6
145.04951	11.1
145.10132	3.4
147.08110	2.2
147.11639	1.6
149.13240	12.7
151.14781	2.4
153.12730	3.8
161.05978	1.6
161.13297	1.8
163.07520	3.5
163.11201	2.1
163.14793	4.5
165.16376	4.4
167.07033	9.9
175.07617	1.8
177.05496	1.4
181.04965	2.8
181.08549	1.7
187.14847	2.2
189.16324	3.4
191.10658	2.5
191.17953	26.0
205.15955	2.1
207.17453	3.0
209.18997	72.9
210.19316	2.3
227.20052	56.8
228.20465	2.1
231.17392	1.7
233.19063	5.3
234.98911	1.8
251.20099	9.5
269.21005	1.6
293.21140	2.3
297.83661	1.5
299.20148	1.8
305.20999	1.6
311.22192	2.8
317.21048	4.4
335.22067	2.4
377.08542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01859	2.4
55.05512	11.7
56.96541	1.3
57.03433	2.2
57.07064	2.2
63.75112	1.4
67.05494	6.3
69.03421	4.9
69.07058	6.7
70.06561	1.9
71.04982	5.5
71.21793	2.8
72.08152	4.2
73.10326	1.5
79.05471	6.8
79.64550	1.3
81.03403	2.8
81.07052	12.1
83.04992	15.2
83.08616	1.5
84.08080	1.9
85.02908	9.3
85.06548	19.2
86.09709	8.9
91.05471	8.7
93.07060	14.1
95.04960	4.8
95.08615	10.3
97.02888	3.7
97.06522	6.1
99.08090	3.7
103.05472	52.2
104.05806	2.2
105.07024	10.1
107.04944	4.6
107.08596	33.5
109.02879	3.8
109.06528	5.5
109.10178	9.5
110.14030	1.6
111.04417	3.6
111.08071	2.4
112.02171	2.2
119.04949	2.8
119.08595	8.4
121.02837	2.0
121.06496	5.1
121.10138	16.9
123.08064	8.3
123.11711	2.6
125.06004	1.9
125.09677	2.2
127.03941	7.7
131.04932	100.0
131.08582	15.7
132.05263	4.3
133.10103	12.4
135.08025	5.8
135.11665	2.7
137.05957	2.6
137.09627	5.5
139.11143	5.1
140.01627	3.1
145.10136	7.1
147.04428	4.0
147.11670	5.7
149.09618	14.9
149.13272	15.7
151.11203	7.9
153.09056	1.8
161.05931	1.8
161.13330	2.7
163.07552	51.3
163.11136	3.1
163.14812	6.5
164.07866	3.0
167.07056	1.7
167.10718	8.5
173.09669	1.6
173.13258	14.2
177.05533	2.1
185.04437	1.9
186.02229	7.5
191.10696	11.4
191.14322	29.9
209.11795	14.9
209.15358	17.7
214.01715	3.1
225.03685	2.6
227.12881	17.0
227.16412	39.2
243.04398	4.7
265.09521	2.0
271.03983	3.2
282.32184	1.8
289.04803	4.2
293.09161	3.4
339.09711	2.5
389.08420	3.1
389.13434	7.8
389.17917	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.01865	5.3
55.05505	7.6
56.96576	4.9
57.03432	3.0
57.07063	2.5
61.02924	4.6
67.05509	5.7
69.03435	14.5
69.07068	8.2
69.26292	27.5
69.43906	2.4
71.04997	26.4
73.02930	2.4
75.27751	2.0
79.05488	8.6
81.03439	11.5
81.07060	8.9
83.01327	2.6
83.04986	8.0
83.08635	3.9
84.67426	2.2
85.02906	35.4
85.06549	8.7
86.09705	5.7
87.00797	3.2
87.04446	2.6
91.05479	12.4
93.07045	8.9
95.04973	9.8
95.08627	11.3
97.02890	14.5
97.06531	5.8
98.20730	5.3
99.04458	70.8
99.08109	20.4
100.80759	2.5
101.06017	6.1
103.05506	5.3
105.01903	3.4
105.07030	13.5
107.04978	7.7
107.08598	22.5
109.02888	7.6
109.06519	6.8
109.10172	9.1
111.08096	4.9
113.09649	4.5
119.04960	6.5
119.08578	6.5
119.26997	2.2
121.06513	5.0
121.10163	18.6
123.08054	12.6
123.11745	9.5
125.05958	3.0
125.09660	13.2
127.03915	22.7
128.98689	2.8
131.04939	6.0
131.08578	8.4
133.06483	2.8
133.10149	19.1
135.08055	6.4
135.11681	4.9
137.06036	4.4
137.09607	5.0
139.07545	4.9
139.11137	4.4
145.04987	9.8
145.10147	5.3
147.11722	6.2
149.09613	13.9
149.13248	8.2
151.03839	3.1
151.11211	9.0
153.09119	6.6
159.65398	2.3
162.02286	2.7
163.07613	5.7
163.11174	2.8
163.14877	7.3
165.09196	2.7
167.07135	9.6
167.10670	2.9
169.12262	13.9
173.13304	8.5
175.07600	3.4
177.05496	6.3
179.04945	2.3
181.05025	5.5
181.15758	2.9
183.13835	13.6
191.07072	6.5
191.14301	19.3
193.08662	3.2
197.08078	3.6
199.08681	4.0
199.40332	2.2
209.08124	10.4
209.11807	8.3
209.15369	100.0
213.08974	5.5
222.08060	2.7
224.09294	2.5
227.16423	69.7
237.10181	13.8
238.10844	2.7
241.09749	3.9
251.08104	3.3
255.11281	3.4
265.09741	35.6
266.09995	2.9
267.11331	13.4
269.09155	2.9
279.07474	3.3
280.08490	3.4
283.10736	3.6
293.09241	50.6
294.09647	4.4
295.10803	8.9
311.10028	4.3
315.09799	3.0
321.08707	20.1
322.08640	2.5
329.11057	3.3
339.09702	37.5
340.09924	3.8
345.14996	3.6
357.10852	10.2
389.13443	71.8
389.21863	6.0
390.13861	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	389.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06540	0.6
50.48587	0.5
51.02383	0.6
53.03934	0.8
55.01875	0.8
55.05507	4.4
65.03930	0.6
67.05513	2.7
69.03426	2.5
69.07054	1.5
70.06598	0.8
71.04991	1.9
71.35925	1.4
72.08157	1.4
79.05499	3.2
80.58530	0.5
81.03407	1.8
81.07045	3.2
83.04984	5.6
84.04497	0.7
85.02910	4.2
85.06543	7.8
86.09709	2.4
91.05478	3.4
93.07041	5.1
95.04976	2.1
95.08591	2.0
97.02903	1.7
97.06557	0.8
98.97559	0.5
103.05473	55.4
104.05791	2.2
105.04502	0.8
105.07053	2.9
105.91204	0.5
107.04957	2.1
107.08596	5.5
109.02886	0.9
109.06512	1.2
109.10165	1.8
111.04414	1.8
111.08088	0.7
112.02178	1.4
115.05489	0.9
117.07033	0.7
119.08614	2.0
121.02802	1.2
121.06509	2.3
121.10139	3.7
123.08092	1.6
123.11731	0.9
125.09603	0.9
127.03923	2.3
127.07510	0.7
129.07002	1.0
131.04935	100.0
131.08577	5.1
132.05270	3.6
133.06491	1.1
133.10121	3.2
135.08063	0.9
135.11659	0.6
137.05978	1.3
137.09637	1.5
139.07550	0.8
139.11140	0.8
140.01643	0.8
145.10164	3.7
147.04462	1.1
147.08058	0.7
147.11752	0.9
149.05966	1.1
149.09627	5.3
149.13290	2.2
151.07584	0.9
151.11221	1.7
153.09140	0.8
161.06009	1.9
163.07555	54.9
163.11137	2.7
163.14877	1.3
163.85779	0.6
164.07886	2.4
167.07063	3.1
167.10696	3.3
173.13271	2.4
175.07481	0.7
177.05507	1.8
179.14278	0.7
181.08652	0.6
186.02205	2.9
187.07416	0.8
191.10666	4.4
191.12236	0.6
191.12764	0.8
191.14302	5.6
208.14252	0.6
209.08179	1.1
209.11723	5.9
209.15453	4.0
214.01759	0.9
227.12825	7.3
227.16434	6.2
236.16527	0.6
243.04414	2.1
265.09808	2.6
267.11334	1.2
271.04224	0.9
289.04968	1.6
293.09143	2.2
321.08722	1.6
339.09897	2.5
389.13126	6.2
389.17538	1.4
390.13626	0.8
393.81702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.7
55.01630	2.4
55.01874	31.6
55.05511	25.5
56.96560	3.5
57.03422	9.1
65.03931	5.5
67.05508	22.7
69.03432	27.8
69.07065	19.1
69.98910	2.3
70.06509	12.0
71.04990	12.4
72.32639	2.7
79.05497	21.3
81.03421	38.4
81.07058	26.6
82.04190	3.3
83.04974	10.1
83.08607	17.0
84.04490	3.1
85.02423	4.6
85.02907	72.4
85.06546	5.2
85.28922	2.7
86.09697	14.4
87.10028	6.8
91.05485	14.5
93.07041	22.0
95.05001	12.0
95.08598	16.4
97.02909	11.9
97.06547	11.9
98.97581	6.0
99.04452	36.0
99.08065	3.5
102.05530	4.7
102.98414	2.3
103.03942	69.5
103.05439	14.4
105.07030	8.4
107.04927	5.5
107.08599	13.2
109.02880	30.7
109.06496	8.4
109.10134	10.0
110.03632	2.8
111.04435	7.6
111.08082	10.8
115.03952	4.9
116.98643	4.1
117.07056	3.9
119.08559	9.0
121.06486	8.9
121.10139	13.4
122.03619	3.0
123.04398	6.1
123.11709	6.0
125.02331	4.9
125.05984	8.3
127.03916	100.0
128.06227	3.1
129.06990	8.9
131.04926	23.0
131.08601	3.5
133.10114	9.0
135.04443	3.9
135.08055	7.0
135.11674	9.3
137.05968	30.9
137.09624	3.5
139.07559	7.2
141.09088	8.0
141.12729	3.1
143.07033	6.2
143.08583	2.6
145.04926	15.2
145.06482	2.7
145.10132	5.4
146.11760	4.8
147.04341	3.2
147.11688	4.5
149.05965	11.6
149.09584	2.9
149.13199	2.9
151.03947	15.5
151.07529	5.7
153.09128	3.1
153.12747	4.4
157.06520	5.8
158.97435	9.8
160.05217	3.2
161.05965	4.3
161.09641	2.8
163.06200	3.2
163.07512	11.5
167.07053	36.0
168.07426	3.1
169.06403	2.7
171.06519	6.2
171.11644	2.9
173.13225	2.8
175.07561	16.5
176.98376	3.8
177.05461	25.4
178.06219	3.5
179.05209	4.8
181.04965	75.9
181.06529	5.0
181.08479	3.2
187.06026	9.6
187.07582	3.8
189.09113	7.7
189.16394	8.7
195.06511	3.1
196.07347	2.7
197.06241	4.2
200.16464	2.7
203.07037	3.7
209.08075	45.4
209.11668	8.5
213.16417	3.0
215.13828	3.7
216.98000	4.8
217.08607	7.8
219.01920	3.1
219.10124	4.5
227.07199	3.3
227.17740	3.2
231.13860	4.0
234.96635	4.1
234.98990	64.9
235.09587	3.4
237.02866	4.0
239.06938	2.9
249.09053	4.1
249.18535	9.6
253.00061	11.2
253.06938	3.5
258.00598	5.7
267.19528	11.6
269.13828	16.3
277.08688	5.6
285.07617	3.0
285.20587	17.7
293.11664	3.6
307.09698	2.9
308.67892	2.8
309.11386	3.0
311.12738	3.5
339.12250	9.8
341.10257	8.0
341.13882	4.6
353.10260	5.3
353.14172	3.6
371.14975	15.1
386.04117	2.9
389.11978	9.9
389.16403	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1804
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03930	2.3
55.01865	4.1
55.05503	5.3
56.96556	4.0
56.97948	1.3
57.03436	2.8
57.07057	1.6
60.04527	1.7
61.02919	2.5
65.03964	2.0
67.05499	10.3
69.03429	8.9
69.07050	5.0
70.06564	3.8
70.50852	2.2
70.51204	4.7
71.05004	9.0
72.08145	6.7
74.06084	1.7
74.41856	1.5
79.05498	14.3
81.03412	5.9
81.07045	5.7
83.04964	4.9
84.04490	4.1
84.08114	2.2
85.02904	17.7
85.06070	2.7
85.06545	39.6
85.08441	1.8
86.09708	19.1
87.04427	1.9
88.03994	1.7
89.06042	3.9
89.61986	1.4
91.05479	10.9
93.07044	12.6
95.04987	7.3
95.08622	3.2
97.02893	7.5
97.06518	3.5
98.97578	6.0
99.04460	2.2
99.08105	1.8
103.05470	51.0
105.07034	13.5
107.04962	8.8
107.08601	10.6
109.02859	2.2
109.06507	4.4
109.10113	2.1
110.97539	2.1
111.04434	5.8
116.79293	1.6
116.98678	2.2
117.06953	2.2
119.08572	7.4
121.06493	8.0
121.10155	8.6
123.04433	3.5
123.08008	3.1
123.11715	1.7
125.06015	3.1
127.03921	7.3
129.06993	4.5
131.04932	100.0
131.08571	29.4
132.10179	2.0
133.06418	3.4
133.08620	2.1
133.10130	3.3
134.99663	1.6
135.08066	2.4
135.11682	2.7
137.05962	4.1
137.09592	2.8
142.08669	1.4
143.11787	2.1
145.02847	1.8
145.04973	3.3
145.06346	1.6
145.10132	12.0
147.04427	2.0
147.08069	4.1
149.05977	3.9
149.09621	24.3
153.05385	1.7
158.99683	1.9
161.05977	3.2
163.07550	53.4
163.11223	7.5
165.09140	3.8
167.07043	11.5
167.10664	13.7
173.09732	2.4
173.13040	1.5
175.07590	3.6
177.00732	3.2
177.05472	4.6
181.08603	3.5
188.65762	1.5
189.09065	1.6
189.12321	3.3
191.10664	26.6
193.08612	6.1
195.07948	1.9
199.06395	1.9
201.12375	3.4
204.08453	1.6
209.11743	39.6
219.01715	2.3
223.06461	3.1
226.08247	1.6
227.10521	2.2
227.12775	34.7
235.09753	2.1
237.02824	4.9
241.07367	2.2
245.10922	1.7
263.11700	2.8
269.10538	1.8
283.08710	2.5
303.40497	1.4
311.43967	1.5
347.13739	1.6
372.23129	4.1
373.17752	1.8
387.13516	1.9
389.08871	1.7
389.15283	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	389.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26971	0.5
55.01861	1.1
55.87594	0.5
57.03439	1.2
61.02929	0.6
67.05496	1.0
69.03429	2.3
69.07054	1.3
69.67195	3.6
71.04992	0.8
76.02226	0.6
79.05496	1.2
81.03421	1.1
81.07067	0.8
83.01360	1.0
83.04980	1.0
84.08114	0.6
85.02919	3.2
86.09712	1.2
91.05472	1.4
93.07043	1.9
95.04940	0.8
95.08579	0.8
97.02893	2.2
97.06550	1.0
99.04455	1.5
99.08092	1.6
99.44151	0.6
101.06002	0.7
103.05468	0.8
105.07032	1.2
107.04947	1.0
107.08593	1.2
109.02886	0.9
109.06522	1.1
109.10151	1.4
111.08093	0.9
119.04916	0.8
119.08605	0.8
121.10146	1.8
125.09642	1.6
127.03946	2.9
131.04915	1.6
133.06436	0.6
133.10129	2.1
135.08066	0.8
135.76012	0.6
137.05991	3.3
145.05066	0.7
145.10014	0.5
147.04427	0.8
149.09639	1.7
149.13289	0.6
151.03926	1.1
151.07552	0.7
151.11206	0.6
161.05991	0.7
167.07091	1.6
169.12173	0.9
170.10497	0.5
173.13179	0.6
175.07565	0.7
179.04861	1.3
181.04991	3.6
185.04224	3.0
191.14319	1.9
193.08693	0.7
203.05258	3.9
203.06943	0.6
205.08707	0.6
209.11844	0.7
209.15349	9.1
211.13365	1.6
213.09261	0.6
219.10226	0.7
227.12576	22.0
227.16376	2.0
235.09717	1.1
237.10297	1.0
245.12415	0.6
247.09669	0.7
265.09879	2.1
293.09235	1.5
310.02228	0.5
328.60043	0.6
339.09778	1.2
343.16058	0.6
365.40070	0.5
389.17831	100.0
390.18039	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1783
Annotation	Trp Pro Ser
Peak:m/z	Relative Intensity
51.19567	0.4
52.99195	0.4
53.04943	0.3
56.05012	0.5
56.96570	0.4
67.61732	0.3
69.03427	0.4
70.06596	0.5
70.98634	1.1
72.08158	1.4
75.10255	0.4
79.05529	0.5
81.49575	0.4
82.85521	0.5
83.47059	0.4
84.04485	1.5
84.08145	0.8
85.02914	0.4
86.09698	3.0
91.05465	0.6
98.97578	0.5
105.06992	0.6
107.08615	0.6
129.10211	0.5
134.99644	0.4
143.11755	0.5
144.06528	0.6
149.09666	0.5
154.94211	0.5
161.09215	1.4
167.10701	0.5
172.95218	0.7
202.21571	0.4
209.11618	0.4
227.12549	0.9
289.09045	0.5
307.06223	0.6
371.15399	0.7
388.67343	0.5
389.17816	100.0
390.18307	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	389.1782
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
53.30165	0.2
55.05512	0.3
55.72260	0.2
71.56312	0.4
72.08149	0.7
74.06080	0.2
81.07044	0.3
83.04975	0.3
85.02911	0.5
86.09709	0.9
91.05480	0.4
103.05494	0.3
127.03893	0.4
129.07001	0.2
131.05009	0.3
147.08063	0.7
149.09694	0.3
165.09200	0.5
167.10736	0.8
171.31677	0.2
181.04855	0.2
201.12335	0.3
209.11722	0.2
227.12567	6.5
245.12424	0.3
247.32027	0.3
327.14474	0.3
389.17868	100.0
390.13855	0.3
390.18250	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	389.1595
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03943	8.6
55.01874	44.5
55.05511	17.4
57.03435	5.0
65.03931	10.7
67.05511	8.1
69.03432	24.2
69.07076	5.0
70.66023	4.4
71.05002	9.6
76.07357	1.3
79.05498	11.1
81.03419	32.1
81.07047	7.5
82.04207	3.3
83.05002	4.5
83.08621	8.1
85.02907	64.7
86.09732	2.2
91.05482	9.4
93.07021	7.8
94.58694	1.4
95.04974	11.6
95.08624	5.0
97.02911	7.5
97.06563	4.2
98.97565	1.8
99.04459	31.6
103.03944	60.1
103.05440	17.5
105.07056	4.5
107.04934	8.9
107.08624	3.4
108.02109	1.7
109.02879	25.5
109.06545	2.8
109.10159	2.5
110.03690	4.9
111.04470	5.3
111.08101	9.3
112.93265	1.5
115.03932	2.1
115.05453	3.4
117.07047	5.2
119.04954	1.8
119.08626	2.2
121.06512	7.5
122.03675	3.5
123.04425	7.9
123.08118	2.8
124.05248	2.0
125.02367	3.4
125.06019	3.0
127.03920	100.0
128.06264	3.2
129.07018	9.4
131.04930	24.8
131.05811	2.0
131.08592	2.8
133.06531	2.4
133.10155	2.0
135.08138	3.7
137.05971	44.6
137.09625	3.1
138.03152	3.6
139.07605	6.0
140.04720	2.2
141.09145	6.2
142.02661	1.8
145.04999	15.1
145.06511	6.5
145.10089	2.3
149.05966	11.2
151.03952	3.2
151.07584	5.5
153.05586	3.1
153.06943	1.4
157.06471	10.7
157.10207	1.5
159.08122	1.5
160.05257	5.6
161.05971	7.3
163.06187	2.8
163.07591	10.8
167.07034	39.3
171.06540	10.7
173.06030	1.5
174.06837	4.6
175.07544	13.7
177.05467	35.3
179.07018	2.6
181.04962	99.3
182.05437	2.3
183.06659	3.6
186.06685	1.6
187.06073	5.1
187.07629	4.1
189.09058	14.3
191.07144	3.6
191.10655	2.2
201.09177	3.8
205.08617	2.7
207.06520	1.9
209.08101	58.6
209.11835	6.6
217.08597	6.9
218.07275	2.5
219.08205	3.1
219.10220	6.5
229.03360	1.6
231.08217	2.0
233.09718	2.2
234.06886	3.8
235.09755	4.8
241.09868	2.5
247.07782	2.3
249.09213	3.8
253.07152	3.8
255.11429	2.8
261.09229	4.4
263.07114	1.7
265.09506	1.5
267.11023	1.7
269.13910	13.0
271.08115	2.2
277.08603	11.1
278.09250	2.2
283.10818	2.3
293.08969	2.3
293.12054	2.6
294.08838	1.9
309.11398	3.9
311.09903	1.9
321.11575	3.9
329.11179	10.4
339.12555	13.0
341.14035	3.2
357.10956	4.6
359.14908	3.9
371.15036	17.0
389.16092	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03935	2.1
55.01621	2.0
55.01871	24.3
55.05523	1.2
56.96563	3.1
58.94555	0.9
65.03948	7.4
67.05513	4.9
69.03426	3.6
69.07056	2.0
70.06606	1.3
70.83581	1.0
70.90762	1.4
70.91103	2.2
78.04733	1.3
79.05490	6.2
81.03424	1.8
81.07043	3.2
82.04200	2.4
83.04971	2.4
83.08666	1.1
85.02908	5.0
91.05483	4.7
93.03415	1.1
93.07053	4.4
95.04985	6.1
95.08617	2.7
96.76127	0.9
97.02872	2.1
97.06521	2.3
98.97564	1.5
103.05474	13.2
105.07040	5.0
106.04175	1.7
107.04972	7.9
107.08593	2.4
109.02903	1.4
109.06582	1.6
109.10153	2.5
110.03644	3.1
111.04440	3.0
115.05431	1.7
116.98693	1.2
117.07036	1.7
119.04943	1.5
119.08595	3.0
121.06491	4.3
121.10154	2.8
122.03620	2.3
123.04438	6.1
124.05234	2.1
125.05997	3.1
128.06265	2.3
129.07018	6.0
131.04936	15.1
131.08615	1.6
133.06497	3.2
133.10147	1.8
134.03654	1.2
135.04471	1.3
135.08017	2.0
137.05968	26.8
138.03123	1.8
138.06334	2.3
139.06505	1.1
142.02628	2.2
145.06512	3.1
145.10144	1.1
147.04416	4.3
149.05969	9.9
151.03947	2.1
151.07578	1.4
152.04660	1.4
153.05443	1.6
155.07065	1.6
157.06442	5.5
157.10234	1.0
159.11745	1.2
160.05197	1.4
161.05988	5.4
162.06738	1.1
163.03902	1.9
163.07542	5.7
167.07034	100.0
168.07396	2.8
171.06552	6.7
174.06754	2.6
175.07558	10.3
175.11159	1.2
177.05472	23.5
177.08981	1.1
178.05869	1.3
179.07019	7.0
181.04959	61.5
181.08524	2.0
182.05453	1.1
183.06606	1.8
187.07692	1.4
188.08421	1.3
189.09090	6.8
190.06216	1.3
191.07005	2.5
193.08601	3.3
205.08568	1.3
206.07343	1.1
207.09886	1.3
209.08087	40.6
210.08473	1.4
211.09586	1.9
217.08603	4.7
218.07263	1.5
219.10112	2.5
234.06699	1.1
235.09685	1.6
247.07616	1.5
249.09161	1.8
261.09265	1.9
277.08560	3.9
278.09317	2.5
285.07657	3.6
293.11584	1.7
294.08902	1.1
300.09924	3.4
309.11224	3.4
321.11285	2.6
326.09677	1.5
326.33206	1.1
339.12247	7.5
341.13864	2.8
353.13751	3.9
359.14899	2.3
371.14783	9.4
380.14978	2.2
389.15945	41.7
390.16031	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
55.01872	33.6
55.05500	1.3
57.03407	1.2
65.03928	7.8
67.05500	5.4
68.15106	1.1
68.99805	1.1
69.03414	2.7
71.33453	1.9
73.02911	3.3
79.05482	5.4
81.03412	2.0
81.07068	2.5
82.04189	3.0
83.04996	1.4
85.02909	9.5
89.03931	1.2
91.05470	3.8
93.07033	2.0
95.04982	5.7
95.08607	1.8
97.02892	1.7
97.06532	2.5
103.05476	14.9
105.04493	1.2
105.07037	2.9
107.04958	7.4
107.08595	1.1
110.03674	3.6
111.04431	3.4
115.05464	1.2
117.07035	2.2
119.04960	1.4
119.08578	1.9
121.06495	4.2
122.03633	4.6
123.00808	1.1
123.04424	4.9
124.05266	1.7
125.05997	4.0
127.03893	2.6
128.06198	1.6
129.07011	9.9
131.04926	22.2
131.08571	1.9
133.06494	1.8
135.04503	1.8
135.08057	1.8
137.05974	34.9
138.03171	2.5
139.03925	1.5
140.04715	1.2
142.02614	3.6
145.02902	1.2
145.06491	4.2
147.04417	1.7
149.05952	10.6
151.07520	3.2
153.05461	3.1
155.07071	2.7
157.06511	6.5
159.04416	1.9
160.05228	4.1
161.05965	4.7
163.03903	2.1
163.07526	8.5
166.41252	1.0
167.07042	30.4
171.06541	7.5
172.05193	1.4
174.06702	3.7
175.07559	16.7
177.05458	38.5
177.09163	1.7
179.06973	1.4
181.04948	100.0
181.08403	2.8
182.05316	2.3
183.06529	2.5
185.05963	1.2
187.07532	2.9
188.08229	1.8
189.03926	1.3
189.09109	8.8
191.07025	2.1
193.08580	1.4
199.07582	1.2
201.08771	1.3
205.08603	2.2
206.07372	1.2
209.08089	58.7
210.08470	1.7
217.06667	1.9
217.08646	5.3
218.07224	1.4
219.10184	1.7
231.08002	1.3
233.09749	1.2
234.06682	2.0
235.09689	5.0
247.07544	2.1
249.09200	4.2
261.09262	3.7
268.10867	1.4
273.60471	1.2
277.08575	10.7
278.09369	2.2
284.10239	1.6
291.09793	1.6
293.11795	2.8
299.12796	2.1
307.09439	1.7
309.11176	4.2
311.12732	1.7
321.11249	3.8
339.12384	10.5
341.13885	2.6
353.13721	2.7
359.15067	3.3
371.14874	16.6
372.15103	1.8
389.15936	70.4
390.16336	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	389.158
Annotation	Flustramine A
Peak:m/z	Relative Intensity
53.03932	2.2
55.05496	2.3
56.96562	8.4
57.03419	2.3
57.07040	1.8
58.06572	1.5
60.04515	3.7
61.02895	3.4
61.85666	1.3
67.05479	3.5
67.79977	1.2
69.03420	7.2
69.07040	4.8
69.39201	2.2
69.39610	11.3
70.02941	1.5
70.06560	3.1
71.04965	3.4
72.08119	5.0
77.65035	1.2
79.05447	3.3
81.03387	3.3
81.07027	6.2
83.04936	5.4
83.06064	1.7
84.04467	6.0
84.08121	3.5
85.02904	13.0
85.06499	5.0
86.09706	23.7
87.05568	2.3
89.05977	2.6
91.05479	9.4
93.07021	5.6
95.04934	1.8
97.02851	4.9
97.06498	2.3
97.10144	1.7
98.20771	2.4
98.97586	7.9
99.04413	2.0
102.05528	3.1
103.05471	53.3
104.05766	1.4
105.06995	3.7
107.04916	2.1
107.08544	5.0
109.02840	2.5
109.06455	3.1
109.10111	1.7
110.97547	1.6
116.98551	5.9
117.07005	1.9
119.08549	2.3
121.06454	2.1
121.10117	3.6
123.04408	1.5
123.07961	1.6
123.11678	1.6
125.09582	3.7
127.03836	4.6
129.10162	1.6
131.04930	100.0
131.08481	2.1
131.24921	1.6
131.69125	1.4
132.05215	3.2
132.10133	2.0
134.03612	1.4
134.99600	2.2
135.08087	2.3
135.11618	1.8
137.05923	3.6
139.07483	1.8
143.11751	2.6
145.01691	1.7
146.11620	2.1
146.99498	2.7
147.04375	2.0
149.05922	2.4
149.09560	6.0
151.11143	3.3
153.09074	1.6
153.12732	2.0
158.99609	2.5
161.01202	2.1
161.05923	1.9
163.02678	2.2
163.07538	49.9
167.06934	5.7
167.10643	1.6
170.99478	1.6
171.11385	1.9
173.12906	3.9
175.06361	2.6
177.00734	3.4
177.05415	2.6
186.02205	1.4
187.39328	1.4
189.12228	2.3
191.10564	1.9
191.14278	2.0
195.07704	3.1
201.12267	2.6
204.08357	1.9
209.11690	3.4
209.15315	6.6
211.06256	1.4
216.09561	1.8
217.07478	3.4
219.01648	2.9
223.06216	2.0
226.08029	1.6
227.09302	2.7
227.12688	2.7
229.07439	3.4
234.41010	1.5
237.02823	7.8
245.10480	5.6
247.08469	1.5
263.11517	3.6
287.11823	1.5
331.40985	1.3
389.15283	69.3
390.16061	2.9
390.21268	2.2
407.15567	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	389.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.05520	3.3
56.96575	7.4
60.04538	1.8
61.02928	1.6
65.03944	1.3
67.05485	4.1
69.03419	6.0
69.07051	6.2
70.06580	4.7
71.58985	1.9
72.08158	6.5
73.02937	1.6
79.05484	2.9
81.03439	3.2
81.07049	8.0
83.04973	9.7
83.08638	1.7
84.04501	5.8
84.08134	3.3
84.96034	2.2
85.02896	10.2
85.06535	3.3
86.09216	2.4
86.09716	40.5
87.05596	2.0
89.03923	3.2
89.06021	4.9
90.06360	2.9
91.05492	6.8
93.07029	5.0
94.36706	1.2
95.04953	4.7
95.08600	2.4
97.02903	4.5
97.06509	2.1
98.97559	4.7
99.04456	2.0
99.08135	1.9
102.05558	3.3
103.05475	53.1
103.66065	1.3
105.03405	2.4
105.07029	3.2
107.04977	3.0
107.08572	4.3
108.88096	1.3
109.02866	2.1
109.06499	3.1
109.10127	2.9
111.04439	2.4
111.08083	2.1
116.98631	4.5
117.03358	4.7
118.03712	1.5
119.08475	1.5
121.02877	1.8
121.06480	3.0
121.10116	2.0
125.09666	6.8
127.03901	5.3
128.98630	1.2
129.10307	2.4
131.04936	100.0
131.08559	3.0
132.05255	2.5
133.08571	2.4
134.08911	2.5
134.99669	1.9
135.11731	1.5
137.05904	1.6
139.07565	1.9
143.11803	1.8
145.01808	1.9
145.02837	8.5
146.03236	3.1
146.11745	1.6
146.99461	1.3
147.03328	1.8
147.04445	4.4
149.05934	2.8
149.09644	6.7
149.13121	1.4
151.11140	4.8
151.18521	1.4
155.24881	1.6
158.99664	2.6
161.01180	2.6
162.06979	1.5
163.04031	1.6
163.07555	43.4
167.07043	5.4
167.10677	2.1
171.11372	2.5
173.12904	2.5
177.00798	2.9
177.05501	17.0
178.05832	4.7
178.11546	1.3
189.12347	1.6
191.10632	1.5
191.14268	2.1
191.97827	1.3
192.11992	1.3
193.08603	1.4
195.07813	1.6
201.12283	3.2
209.08269	1.4
209.11772	3.8
209.15424	8.2
216.09801	1.8
219.01765	2.3
225.03802	4.0
226.08206	1.9
227.09283	1.7
237.02803	4.0
244.09250	2.0
245.10645	1.8
263.11655	1.5
287.04514	2.3
315.86453	1.4
344.05002	1.5
372.04401	3.8
372.23199	2.8
389.08215	3.2
389.15372	34.8
390.15939	1.8
390.21347	1.6
405.13599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1569
Annotation	Flustramine A
Peak:m/z	Relative Intensity
55.05502	5.3
56.96563	23.5
61.02942	4.5
67.05493	5.6
69.03427	11.7
69.07053	5.6
69.61205	7.3
69.61620	19.0
70.06606	4.8
71.04990	7.5
72.08149	6.2
78.44494	3.4
79.05478	5.0
81.07050	12.2
83.04993	8.8
85.02908	23.8
85.06540	7.9
86.09698	15.5
91.05472	14.3
93.07050	12.1
95.08600	4.2
97.02905	10.9
98.21484	7.0
98.97578	20.0
103.05473	8.7
107.08629	21.3
116.98645	11.8
119.08547	3.6
121.10161	5.6
127.03913	14.3
128.98630	4.3
129.02165	3.5
131.04961	18.7
131.08589	7.6
133.10136	6.1
135.11697	6.7
137.09645	3.8
140.02475	3.3
145.01697	9.0
145.10127	6.2
146.99680	4.8
149.09628	7.5
149.13228	6.5
151.11212	5.0
153.12718	12.4
154.63074	3.9
163.02730	6.7
165.04391	3.7
167.10724	4.8
167.42731	3.3
173.13211	5.0
175.06410	3.5
177.00742	5.0
191.10736	5.0
191.14275	5.3
192.33047	3.6
193.07382	4.0
195.07796	3.9
209.11725	6.3
209.15392	4.5
215.38161	4.1
219.01817	12.1
227.12677	11.0
227.16435	12.4
237.02795	19.9
245.10571	12.4
245.41032	3.9
283.08630	3.9
290.12796	5.2
311.10852	4.2
389.15109	100.0
390.15686	10.3
402.32510	3.3
407.16116	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	389.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.4
55.05516	8.7
57.03454	1.9
57.07091	1.7
61.02930	3.3
65.03941	4.0
67.05505	4.3
69.03432	6.8
69.07082	4.1
70.15305	1.9
71.25852	5.5
72.08180	8.4
73.02921	19.2
79.05501	4.8
81.03440	4.2
81.07071	4.7
83.04981	11.2
84.04504	3.0
85.02911	15.0
85.06561	2.2
86.09716	19.9
91.05503	8.0
93.07059	6.9
95.04980	11.6
95.08604	2.2
96.04530	2.3
97.02910	8.5
99.04513	2.7
99.08144	3.0
99.08949	1.7
103.05486	3.4
105.03390	10.3
105.07069	4.9
107.05025	3.5
107.08628	6.1
109.06495	2.0
109.10204	5.4
111.04594	1.9
112.02177	1.9
116.01706	2.4
117.07062	2.2
119.04972	5.7
119.08626	2.8
121.06542	5.9
123.04449	5.1
127.03973	7.8
129.07030	2.7
131.04980	6.3
131.08612	6.7
133.06520	3.2
133.10143	9.1
134.03688	5.0
137.06042	7.2
137.09674	1.9
139.03944	2.3
140.01692	2.1
140.04697	23.0
143.11856	2.9
145.04984	2.5
147.04417	18.3
147.08099	8.1
147.11685	2.6
149.09689	4.6
153.09157	4.4
155.07047	37.6
155.08232	3.1
161.06073	2.3
162.02133	2.4
163.03949	4.4
163.07660	2.6
165.09198	5.6
167.07062	2.8
172.95264	3.4
173.08138	5.2
173.13281	4.1
179.07115	6.9
180.04224	3.2
181.04959	50.0
181.08650	2.5
186.02319	2.6
190.96243	2.7
191.10861	2.1
191.14328	5.1
193.08624	2.6
197.08269	2.8
209.08128	11.8
209.11755	5.7
209.15427	11.3
225.03796	4.2
227.09172	71.1
227.12592	2.9
227.16512	5.2
243.04475	3.2
289.05185	2.3
315.13770	2.2
325.07349	5.4
325.78653	2.1
344.99661	2.0
357.09879	3.7
357.13916	2.8
367.08463	3.4
389.08740	4.5
389.18002	100.0
390.17792	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	389.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05506	0.7
56.96555	0.7
67.05511	0.4
69.03429	1.1
69.07053	0.5
70.06577	1.0
71.04977	0.8
71.58778	0.3
71.59211	0.4
72.08168	1.5
73.02937	0.5
79.05488	0.6
81.03436	1.0
81.07052	0.5
83.04967	0.8
84.04518	0.6
84.08147	0.9
84.84603	0.3
85.02907	3.0
86.09708	4.1
87.55163	0.3
91.05486	2.9
93.07040	0.8
95.04960	0.4
97.02889	1.4
98.97579	0.9
99.04412	0.6
103.05457	0.6
105.03394	0.7
105.07015	0.8
107.04940	0.4
107.08581	1.2
109.02867	0.6
116.98624	0.8
119.08598	0.6
121.06477	0.7
121.10139	0.6
124.07586	0.5
127.03916	1.3
129.06995	1.1
129.10242	0.6
131.04904	0.9
131.08601	1.6
134.99675	0.6
138.02652	0.4
141.10245	0.3
145.02826	0.5
145.05020	0.5
145.10120	0.4
147.04393	1.3
147.08069	3.4
149.06029	0.4
149.09621	2.5
151.03955	0.4
151.07373	0.4
157.36940	0.3
158.99680	0.5
161.02936	0.7
161.05991	0.5
162.07697	0.4
163.02666	0.3
163.07568	0.9
163.11169	0.6
165.09148	2.4
167.07005	1.2
167.10674	2.1
172.95287	0.5
177.00708	0.5
177.05469	0.9
179.07050	0.4
181.12044	0.4
191.10649	0.3
195.07787	0.6
195.57826	0.4
200.13934	1.0
201.12410	0.6
203.07536	0.6
209.08272	0.4
209.11693	2.5
209.15472	0.4
225.03683	0.4
227.09297	0.8
227.12604	3.6
228.13310	0.6
237.02698	0.8
245.10065	0.8
269.10608	0.7
289.08856	1.1
305.10843	0.8
307.06216	0.5
327.14111	3.0
329.12042	0.8
335.02151	0.3
380.27200	0.3
388.68567	0.3
389.13925	33.1
389.17828	100.0
390.14413	2.0
390.18912	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.4
56.92375	8.4
56.96554	16.2
63.54748	6.9
67.05495	18.5
67.72304	7.9
69.03417	11.4
69.07079	9.5
70.93631	19.0
76.28847	7.6
79.05499	14.6
81.07056	12.0
88.85396	10.4
91.05473	15.3
93.07061	16.0
95.08613	17.7
105.07005	25.2
107.08598	22.0
109.10159	18.8
119.08588	38.4
123.08028	13.9
130.96857	8.4
131.08577	14.5
133.10138	22.3
137.05998	25.1
137.09654	9.9
138.06273	9.9
145.10143	13.7
161.09552	10.4
165.09134	13.1
187.11179	18.7
227.17900	8.1
229.60036	8.0
229.80919	8.2
251.17641	7.8
263.96838	7.8
269.18942	7.4
329.20956	10.7
347.22177	100.0
376.19897	8.3
388.21609	36.4
388.26062	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	389.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
54.37588	1.0
55.01841	1.2
55.05510	2.7
56.05045	1.8
56.96571	2.6
57.03434	2.4
58.06585	1.3
60.04515	2.0
61.72620	1.3
67.05499	3.9
69.03425	5.8
69.07054	2.0
69.38119	1.2
70.06602	6.3
71.04993	15.3
71.56670	1.8
71.57094	1.7
72.08144	3.8
79.05502	1.9
81.03407	4.1
81.07059	5.1
83.05013	2.0
84.04509	6.8
84.08144	4.2
85.02906	8.2
85.06505	1.6
86.09711	16.8
87.04469	1.9
87.05585	3.5
91.05460	6.8
93.07024	3.7
93.70973	1.1
95.04963	3.1
95.08595	2.3
97.02906	7.3
97.10202	1.4
98.97588	4.0
99.04455	2.0
102.05537	3.9
103.05450	2.3
105.03398	2.1
105.07022	3.7
107.04945	2.1
107.08586	4.5
109.02874	3.8
109.06499	1.5
110.21439	1.4
111.04451	3.4
111.05537	1.4
113.02138	2.0
113.06015	2.4
115.03963	1.2
116.98590	2.9
119.04924	4.3
119.08574	2.0
120.08080	2.1
121.06512	1.8
121.10117	3.4
123.04453	1.3
124.03941	1.8
127.03922	18.3
128.98608	1.5
129.10205	2.4
131.04945	5.4
131.08620	1.9
132.08069	1.4
133.06551	1.3
133.10127	5.4
134.99646	2.4
135.00551	2.3
137.06004	3.2
142.14616	1.2
145.04973	1.5
146.11723	2.4
146.99628	2.1
147.04411	10.9
148.04863	1.3
149.09563	1.6
150.96910	1.3
151.03917	2.3
161.05971	3.7
163.07567	2.1
167.06985	7.6
173.13084	2.5
175.07593	1.7
177.00682	2.4
177.05505	2.0
181.04773	5.8
186.02264	2.1
189.12346	2.7
191.14272	1.6
193.08698	1.6
205.08618	3.2
209.11617	1.9
209.15320	2.9
217.08144	1.3
221.25233	1.3
225.03703	100.0
226.03986	3.7
227.09213	2.1
227.12610	1.8
237.02881	3.3
243.04755	1.5
244.09242	3.7
245.10684	1.6
289.04938	1.9
303.08124	1.8
339.19189	2.3
389.08389	56.5
389.14212	22.6
389.18097	11.0
390.08768	3.4
414.58939	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01865	3.1
56.05046	1.6
56.23000	1.3
57.03437	5.0
58.75068	1.7
58.94217	1.2
60.97517	1.3
61.02912	2.8
65.69096	1.2
68.69594	1.4
69.03432	43.2
69.65015	6.6
69.65425	3.0
70.06588	4.2
71.01347	2.6
71.04991	8.1
74.72774	1.3
79.05503	2.6
81.03419	34.3
81.07044	2.0
83.01357	3.3
84.08143	1.9
85.02908	53.6
85.10321	1.4
86.09696	3.0
87.00832	29.1
87.04462	5.1
95.04997	1.5
97.02894	65.0
99.04456	25.3
101.02395	2.0
103.05529	2.2
105.01873	24.2
105.07031	9.8
109.02898	10.1
115.03940	3.9
121.10146	1.7
127.03918	100.0
128.04265	2.0
129.10217	2.0
131.05017	2.4
133.10178	1.7
137.06015	5.8
138.06325	2.2
145.04964	72.9
159.02808	1.3
161.05927	1.2
163.03909	3.3
167.07047	3.2
171.02864	2.4
173.13591	1.4
175.07564	2.6
177.05540	2.5
181.05019	6.8
184.78693	1.5
196.57965	1.3
209.08063	2.8
213.03925	4.2
231.05009	56.5
249.06056	40.8
317.14017	1.4
388.14838	3.7
389.16171	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	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.6
54.01113	2.3
54.81663	2.2
55.01873	10.6
57.03437	5.1
61.02925	5.8
67.40978	2.1
67.91044	2.4
69.03435	33.8
69.38255	22.2
69.38648	5.3
71.04988	4.6
71.48417	2.3
73.02908	7.2
77.23266	2.6
81.03423	24.0
81.07074	5.3
85.02905	100.0
87.00835	45.0
95.08561	2.4
97.02905	29.0
99.04458	14.2
105.01860	72.5
105.07043	10.2
109.02876	27.6
117.01875	3.5
127.03918	72.1
145.04958	33.1
147.02837	2.9
159.02849	18.0
167.07066	3.1
189.04036	5.1
213.03911	2.5
218.27374	2.6
231.04973	34.8
248.07677	4.2
249.06093	13.8
309.18997	2.4
342.52502	2.5
344.52902	2.2
388.15866	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	388.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.1
55.01870	10.6
56.05034	2.0
57.03436	7.9
59.04977	1.6
60.04510	3.4
61.02924	8.6
63.67448	1.3
68.99779	3.3
69.03426	31.3
70.06581	6.1
71.04986	6.2
71.58281	2.4
72.08163	1.8
73.02911	12.2
79.05475	1.9
81.02978	2.7
81.03419	34.1
81.07041	3.2
83.04991	1.5
84.04462	1.4
85.02905	100.0
86.09711	9.4
87.00828	42.8
87.04463	2.0
89.11156	1.5
91.03952	3.2
91.05490	1.8
93.07023	2.7
97.02895	70.3
97.03522	3.4
98.06036	2.0
99.04453	18.5
105.01863	56.5
105.07028	2.9
107.04876	1.7
107.08563	2.0
108.04477	10.9
109.02877	35.1
117.01844	6.3
126.05503	4.6
127.03915	87.5
129.01860	5.1
131.04912	3.5
133.10135	2.6
137.05994	4.7
138.06325	2.6
144.06534	2.3
145.04958	58.1
147.02881	5.3
147.04305	1.6
149.09557	1.4
159.02901	27.5
163.11186	2.2
178.20937	1.6
191.10652	1.4
193.12273	1.7
213.03979	4.6
230.06677	3.7
231.04990	17.2
248.07706	4.0
249.06027	2.9
388.14664	3.9
388.18979	2.4
388.23245	6.0
407.36383	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2532
Annotation	Atranone E
Peak:m/z	Relative Intensity
53.59733	1.9
55.05513	9.8
57.07035	2.7
67.05508	12.5
68.91820	2.0
69.03434	73.4
69.07051	7.8
71.42265	4.0
74.08745	2.0
79.05474	4.8
80.07822	2.1
81.07064	15.8
83.04961	2.6
83.08638	5.5
85.02908	5.0
91.05493	10.3
93.07062	21.2
95.04983	4.2
95.08602	23.7
97.06514	3.2
97.10145	3.1
105.07020	23.1
107.08609	32.4
109.06477	2.6
109.10174	16.4
117.07013	6.8
119.08584	46.4
121.06524	2.1
121.10134	16.7
123.08043	4.5
123.11717	7.4
125.09603	2.5
131.08556	9.1
133.09227	3.1
133.10136	29.8
135.08078	3.5
135.11708	8.5
137.05891	2.5
137.13193	2.3
139.07538	6.4
143.08607	4.8
145.10129	15.8
147.11696	18.7
149.09610	5.2
149.13188	2.5
151.07550	86.7
156.09407	3.3
157.10120	8.3
159.11711	24.7
161.09586	5.4
161.13240	9.9
163.11218	4.3
163.14842	6.6
165.09193	2.2
167.07150	2.7
170.10892	2.7
171.11711	11.9
173.13237	13.9
175.11172	5.0
175.14740	3.2
177.12717	5.3
183.11763	3.6
185.09721	2.3
185.13271	12.7
187.11183	4.0
187.14821	6.5
189.12785	3.6
189.16368	3.6
191.10645	4.7
199.11162	2.9
199.14830	6.4
201.16440	11.3
203.10489	2.6
203.14317	4.9
203.17963	5.8
205.12303	3.3
209.13031	2.2
213.12811	6.1
213.16273	2.6
217.12154	3.1
224.01436	2.0
227.14383	4.6
227.17975	3.5
231.13802	3.8
241.15953	3.6
241.19530	7.3
245.15417	5.1
255.21043	13.9
265.19522	4.7
273.22055	3.2
283.20526	22.6
301.21655	37.0
327.22980	2.6
359.25815	4.0
369.24081	2.8
387.25308	100.0
388.25592	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	387.253
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
55.05504	16.5
64.49510	5.9
67.05498	18.9
69.03428	100.0
69.07053	15.2
69.82594	11.0
69.83003	26.2
76.59205	5.3
77.44315	5.5
79.05495	9.4
81.07056	27.0
83.08596	7.6
91.05473	14.7
93.07047	34.1
95.08615	44.9
98.20705	6.5
105.07034	20.5
107.08574	32.3
109.06549	6.7
109.10152	24.2
111.04400	16.4
119.08585	20.1
121.10137	26.9
123.11673	6.7
131.08620	11.9
133.10130	18.9
135.11699	31.9
137.13278	7.1
145.10153	14.4
147.11751	12.6
149.13261	15.5
159.11681	10.1
161.13263	12.0
163.14796	5.9
165.09161	9.7
173.13268	8.8
187.11052	6.7
187.14742	8.7
191.17862	6.7
200.89954	5.5
231.13979	7.0
232.45949	6.8
245.15198	8.5
255.21074	8.6
301.21741	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03935	1.7
55.01871	1.7
55.05525	7.5
56.96566	2.3
57.03428	2.3
57.07057	2.0
60.04524	1.8
61.02921	1.6
67.05505	11.0
69.03431	10.0
69.07069	3.5
69.42183	1.5
69.42516	14.2
70.06592	3.2
71.05005	1.6
73.02921	1.5
79.05499	5.4
81.03438	3.9
81.07054	7.0
83.04980	6.3
85.02910	17.5
85.06551	6.6
86.09718	5.0
91.05483	12.8
93.07048	10.0
95.04967	4.8
95.08611	32.5
97.02893	6.4
97.06542	2.4
99.04449	3.2
105.03391	6.0
105.07039	12.8
107.04964	2.8
107.08599	18.6
109.02893	2.5
109.06536	5.7
109.10159	5.5
113.06013	4.7
116.98650	1.9
117.07026	2.5
119.08588	28.4
120.08107	6.4
121.06482	6.8
121.10139	6.2
123.08079	42.2
123.11716	3.5
125.09650	2.7
127.03932	3.8
131.08586	4.7
133.06441	2.3
133.10143	9.6
135.08052	6.3
135.11722	7.1
137.05997	4.5
137.09619	9.1
143.08583	2.0
145.02835	2.8
145.04977	2.0
145.10100	2.8
147.08069	5.2
147.11696	20.1
149.09622	16.7
151.07527	2.3
151.11223	3.6
153.09113	1.8
153.12804	2.6
156.09363	3.8
157.09979	1.5
159.11673	14.6
161.09608	1.6
161.13252	17.6
163.11227	4.8
165.12793	5.0
167.07021	4.9
167.10748	1.6
171.11720	3.0
177.05496	5.4
177.12729	7.8
179.07059	2.2
189.12724	17.6
195.13858	4.2
207.13806	100.0
212.08260	3.1
225.14890	10.7
234.98920	2.2
360.69324	1.8
387.15952	8.0
387.20618	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.57276	1.9
53.03934	4.1
55.01877	2.2
55.05510	4.6
57.03424	2.1
57.07064	4.4
61.02925	4.6
67.05506	19.5
69.03135	1.6
69.03435	16.1
69.07052	2.1
70.92645	3.2
70.92986	4.3
71.04984	5.1
72.08131	3.3
73.02901	2.4
74.34637	1.8
79.05485	5.9
79.48338	1.7
81.03409	5.6
81.07059	12.1
83.04980	6.3
83.08621	2.2
85.02428	2.8
85.02910	39.1
85.06545	12.3
86.09708	3.3
87.04472	2.6
91.03978	3.2
91.05481	6.4
93.07043	13.1
94.57103	1.6
95.04952	9.9
95.08614	72.6
97.02885	11.9
97.06523	3.4
99.04434	3.9
105.07026	10.9
107.04925	2.0
107.08597	16.8
109.02885	5.4
109.06502	6.0
109.10160	4.4
111.08113	2.4
113.05999	13.4
117.07010	3.0
119.08595	20.4
121.06533	5.6
121.10147	16.6
123.08076	38.4
123.11704	7.6
125.05983	6.6
127.03932	10.1
131.08566	5.2
133.06522	2.9
133.10094	5.2
135.08090	2.3
135.11702	18.8
137.05948	3.4
137.09610	5.2
139.07532	3.9
145.04999	8.6
145.10161	12.2
147.08023	3.6
147.11714	10.0
147.12657	1.6
149.09637	24.1
151.07553	21.4
151.14865	3.6
159.11717	2.0
161.13252	14.0
163.11194	72.4
164.11514	2.3
165.09175	5.2
165.12772	9.5
167.07047	5.2
171.11699	4.3
174.10434	1.9
181.12207	20.9
186.05330	2.1
189.12735	23.5
207.13814	100.0
225.14839	8.9
227.72606	1.9
233.08153	1.9
263.33582	1.8
284.90219	1.8
351.18115	6.3
369.18939	3.5
387.16226	2.8
387.20343	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	387.2014
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
51.49529	1.3
53.03943	3.2
53.64087	1.2
55.01859	4.9
55.05494	1.2
57.03429	4.1
58.16737	1.7
60.43087	1.2
61.02913	4.5
67.05497	3.7
69.03432	16.5
69.07063	2.6
69.60648	5.8
69.61068	4.1
71.04984	2.6
74.39287	1.3
79.05492	4.6
81.03426	6.4
81.07056	13.3
83.04979	5.6
85.02907	41.9
85.06536	3.7
86.09688	3.9
87.04441	1.6
88.72794	1.2
91.03941	2.5
91.05479	7.5
93.07040	10.6
95.04990	8.3
95.05528	1.5
95.08616	3.1
97.02894	12.8
97.06514	2.8
98.20752	2.9
99.04446	4.7
103.05519	1.7
105.07036	11.0
107.04951	2.3
107.08593	11.3
109.02878	3.6
109.06507	5.5
109.10128	2.7
111.08080	1.5
117.07010	2.9
119.08597	8.8
121.06506	3.5
121.10155	10.5
123.04423	1.8
123.08074	12.4
125.05983	5.2
127.03913	8.4
130.07841	1.7
131.08563	2.7
133.06496	2.5
133.10107	6.0
135.08044	2.1
135.11699	6.0
137.05962	6.3
139.07521	5.5
145.04970	10.9
145.06461	2.2
145.10097	14.3
147.04387	1.7
147.08119	2.2
147.11684	4.3
149.09593	5.0
151.07539	29.7
151.08664	2.6
160.62492	1.5
161.05968	2.8
161.09572	1.8
161.13266	3.1
163.11185	100.0
164.11563	2.0
167.07082	7.7
171.11681	2.6
177.05505	3.0
181.04974	2.2
181.12233	35.3
182.37617	1.3
185.05984	3.6
189.12721	12.8
191.14371	1.6
203.07024	9.1
205.12279	2.1
207.13809	49.9
215.07086	3.7
223.13211	3.1
225.14890	8.1
337.10449	1.6
339.12112	2.5
343.17603	1.9
369.19101	5.0
387.14410	8.2
387.20001	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	4.7
55.01868	7.0
55.05508	7.9
56.96564	12.4
57.03432	4.8
59.04992	2.7
61.02927	5.0
65.03962	3.4
67.05505	12.0
69.03432	18.5
69.07076	5.8
70.06588	5.0
71.04991	12.9
71.60844	4.8
72.08153	21.2
73.74451	3.0
79.05486	12.4
81.03436	10.3
81.07061	11.7
83.04974	12.5
85.02912	34.0
85.06586	3.1
86.09705	21.1
87.04491	3.2
91.05481	27.8
93.07038	17.3
95.04970	13.6
95.08621	10.2
97.02894	20.6
97.06509	4.8
99.00819	3.7
99.04470	13.4
103.05461	6.8
103.14602	2.7
105.07037	20.9
107.04955	12.4
107.08577	13.7
108.68279	2.7
109.02873	7.1
109.06496	4.0
109.10155	18.9
111.04468	5.5
111.08092	3.6
115.05454	3.6
116.98617	4.7
117.07028	8.4
119.04936	6.5
119.08600	18.4
120.49503	2.6
121.02892	6.5
121.06509	5.5
121.10146	36.3
122.03655	7.1
123.04455	4.8
123.08070	10.7
127.03954	9.8
129.07034	4.0
131.04926	4.3
131.08649	4.5
133.10159	9.0
134.06001	3.2
135.08057	5.7
135.11723	7.7
137.05980	84.8
137.09595	30.8
138.06276	4.0
139.03929	5.8
145.04999	6.7
145.06497	8.2
145.10141	4.9
147.04427	12.7
147.08087	5.0
147.11707	15.2
149.08394	5.3
149.09613	100.0
151.07564	8.6
161.01239	5.0
161.05945	3.5
161.09641	3.2
161.13243	12.8
163.11160	20.8
165.12785	9.5
167.03513	4.4
167.07045	39.9
171.11725	9.5
173.06032	7.3
174.10399	4.7
177.05457	9.3
178.06009	3.2
181.04976	25.8
181.12260	4.8
187.07553	3.4
188.04187	5.4
189.12766	43.3
191.07199	4.0
203.07079	8.4
207.13803	54.5
208.09808	6.5
215.07072	3.5
225.11322	5.4
225.14868	85.1
247.07761	3.5
264.07974	3.5
266.05942	3.4
281.09177	4.1
309.08643	9.4
327.09451	4.3
344.08383	5.9
347.69342	3.2
355.09430	4.1
357.13388	13.1
358.08237	5.3
367.08640	11.3
369.13345	4.2
387.15164	49.1
387.20657	17.3
387.59891	3.0
388.16653	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
56.96550	1.7
61.02913	0.9
67.05495	2.4
71.61746	1.8
74.43670	1.0
75.04477	0.9
79.05489	3.6
81.07042	2.2
86.61683	1.0
91.05486	7.9
93.07011	1.9
95.04971	2.4
97.06526	1.0
103.05464	4.1
104.54144	1.1
105.07034	7.9
107.04956	13.4
107.08593	1.1
108.05758	1.2
109.02850	0.9
109.06519	1.7
115.05475	2.5
117.07021	2.3
119.04969	3.5
119.08603	2.4
121.06525	5.0
121.28809	1.1
123.08076	2.3
124.05205	1.4
128.06262	5.8
129.07005	24.8
131.04939	4.4
131.08565	6.3
133.06485	4.7
134.07274	2.6
135.04408	6.0
135.08025	3.9
136.05185	11.4
137.05983	26.7
139.07552	2.5
142.02502	1.2
143.04936	2.3
143.08633	1.1
145.06497	2.5
146.07294	2.1
148.05121	1.3
149.06012	3.1
150.06761	15.5
151.07552	100.0
152.07881	1.5
155.05986	1.4
157.06496	19.0
158.07156	1.3
160.05182	2.2
161.05974	15.6
161.09630	6.4
163.07547	13.5
165.05563	1.8
165.06940	2.4
165.09129	62.6
166.07748	1.6
166.09393	1.8
167.07068	4.0
167.08426	1.7
171.08051	1.6
173.06015	1.7
174.06761	12.6
175.07523	9.8
176.08028	1.1
177.06985	1.4
177.09132	3.1
178.07770	2.5
179.08531	3.8
181.05008	2.3
181.06503	2.7
183.08060	2.0
188.08333	2.5
189.09120	82.8
190.09497	2.3
191.10765	1.5
192.09293	1.8
192.80455	1.0
193.06438	1.6
193.08685	1.4
193.10278	1.2
194.07193	1.3
195.08014	8.3
196.08829	4.3
197.09714	1.5
203.09059	1.0
203.10652	5.5
205.06512	2.4
205.10213	2.3
207.08072	4.7
207.09877	1.1
208.08791	2.9
209.06004	1.8
209.09601	3.9
210.06757	1.3
211.07574	4.2
213.09259	1.3
219.08046	1.5
220.05339	1.6
220.08836	3.6
221.06068	3.0
221.09573	5.5
222.06740	1.2
223.07542	7.6
223.11169	3.7
224.08249	7.0
225.09088	5.0
226.09946	1.2
233.08003	1.3
235.07574	8.3
235.11177	5.5
236.08333	4.8
236.11922	6.8
237.09055	5.5
238.06123	1.2
238.09897	3.9
239.07027	2.4
239.10712	13.4
241.08502	2.4
241.12315	1.7
248.08392	2.0
249.09100	2.6
249.11246	3.4
251.07063	3.1
251.10608	1.5
252.07849	5.1
252.11473	3.0
253.08557	5.8
254.09418	1.9
255.10245	1.7
263.10782	6.1
264.11432	4.4
265.08557	2.4
266.09329	1.9
267.10217	12.7
267.13809	29.7
268.10876	3.1
268.13998	1.1
269.08072	3.3
271.09616	2.0
280.10883	2.6
281.11697	12.8
283.09665	6.5
284.10370	7.4
286.12009	5.0
295.13272	16.0
296.14163	1.9
297.11057	1.3
298.12067	3.6
299.12799	42.2
301.14371	2.8
312.13425	1.4
327.15924	38.7
328.16025	1.7
330.14627	2.9
345.16879	2.1
357.13086	1.5
381.67014	1.2
387.13770	2.1
387.15225	1.6
387.18329	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	387.1802
Annotation	Burseran
Peak:m/z	Relative Intensity
50.68703	1.3
55.01856	1.7
63.33191	1.4
69.07076	1.6
69.71529	7.9
69.71937	2.4
79.05504	2.0
81.07086	1.7
85.02894	1.3
91.05505	5.8
91.87054	1.4
93.07059	2.0
94.04203	1.8
95.04997	1.9
102.08350	1.1
103.05482	5.3
105.07050	4.7
107.04969	9.4
109.06545	1.6
115.05470	6.2
117.07033	2.5
118.44292	1.4
121.06519	3.8
122.03671	5.2
123.08075	1.7
129.07005	2.1
130.04161	4.7
131.04961	15.7
132.05719	5.5
133.06487	5.3
135.08057	2.0
136.05220	2.8
137.05984	79.0
138.06354	2.7
141.06999	1.8
143.04913	4.0
145.06493	5.5
146.07353	1.5
147.04439	4.7
147.08043	1.6
148.05156	3.3
149.05974	2.5
149.09665	2.2
151.03905	4.1
151.07539	7.5
160.05228	8.6
161.05994	13.7
162.06694	2.4
163.07550	21.9
165.05492	2.8
166.06250	17.1
167.07050	9.6
169.06529	3.6
172.05185	1.8
173.02649	1.4
173.05968	2.8
175.03944	4.6
175.07556	57.2
176.08327	23.2
177.05469	4.8
177.09097	4.4
179.08563	2.1
180.07846	3.1
181.05042	11.9
181.08604	37.6
187.07545	2.2
189.05475	1.7
190.06250	32.2
190.07941	1.6
191.07063	10.1
192.07736	4.6
194.07088	1.5
195.08121	2.6
195.10168	2.5
201.09151	4.1
202.52412	1.4
203.10641	1.4
205.08607	100.0
206.09297	12.6
207.08263	3.9
207.10172	99.0
208.08792	2.0
208.10541	3.0
209.09589	2.3
219.08040	4.1
219.10181	3.4
220.08937	2.2
222.06810	1.6
223.07472	2.2
224.08334	1.5
225.09175	2.3
233.09621	2.4
234.06866	2.7
235.07561	4.3
235.11317	3.3
236.08382	2.8
237.09033	6.6
239.10713	2.5
247.07587	3.7
248.08371	4.2
249.05438	1.9
249.09201	5.1
250.06284	2.0
250.09859	3.7
251.07062	5.3
251.10692	3.3
252.07851	3.7
253.08566	6.7
254.09354	3.2
255.10316	2.0
257.03168	1.5
261.09097	2.5
262.09961	1.7
263.07019	3.9
263.10706	11.1
264.07761	3.0
264.11496	2.8
265.08646	8.7
266.09402	5.5
267.06729	1.8
267.10187	6.9
268.11221	1.7
269.11655	2.5
270.09027	2.4
275.10803	3.8
277.08618	4.7
277.12350	1.7
278.09402	4.5
278.13086	5.5
279.06860	2.5
279.10172	14.0
280.07715	3.1
280.10959	9.3
281.08099	4.6
281.11734	7.6
282.08844	2.9
283.09756	3.4
283.13202	1.6
290.09442	1.8
291.10205	12.6
292.10959	3.4
293.08246	3.4
293.11737	5.3
294.08868	2.7
294.12415	2.9
295.09662	20.2
295.13223	6.6
296.10443	3.8
297.08313	2.0
297.11191	11.1
305.11752	2.3
306.12448	4.3
307.09628	6.8
307.12946	2.3
308.10397	4.7
309.11243	19.4
309.14987	5.4
310.12030	15.1
310.15457	2.1
311.09213	3.8
311.12756	14.4
312.13409	12.3
313.10785	16.2
313.14124	2.0
322.12006	1.8
323.12772	24.7
324.13501	5.0
325.10651	5.0
325.14386	20.2
326.11414	3.5
328.12976	10.6
337.14389	12.4
338.15109	13.4
339.12308	6.3
340.13174	4.5
341.13843	49.9
342.14005	3.3
343.15396	41.1
344.15820	2.5
354.14594	3.1
355.15359	18.7
356.16187	80.7
357.12894	8.5
357.15430	2.3
357.17017	3.4
369.16971	22.4
372.15689	4.1
387.14240	14.4
387.18057	78.8
388.14050	1.9
388.18433	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	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.1
53.03935	0.5
55.01876	0.1
55.05510	0.3
56.96555	0.3
57.03423	0.2
61.02890	0.2
67.05497	0.3
69.03431	1.0
69.07063	0.2
70.59078	0.2
70.59446	0.2
71.04971	0.2
77.03941	0.3
79.05490	4.2
81.03418	0.6
81.07051	0.4
83.04982	0.4
85.02901	0.4
91.05483	0.8
91.55677	0.1
93.07041	0.9
95.04972	1.4
95.08591	0.4
97.02872	0.3
103.05467	2.7
105.07028	100.0
106.07359	1.7
106.46746	0.1
107.08600	0.2
109.06549	0.2
109.10163	0.4
111.04428	0.3
116.95034	0.1
117.07069	0.1
118.18030	0.1
119.04933	1.8
119.08590	0.4
119.25808	0.1
120.40804	0.1
121.06506	1.6
121.10137	0.2
127.03893	0.3
128.12511	0.1
129.05511	0.2
129.06982	0.1
131.08578	0.2
133.10115	0.3
135.04422	0.2
135.11659	0.1
137.05933	1.0
143.08575	0.1
145.10063	0.2
147.06560	0.2
147.11700	0.2
157.10219	0.2
159.11688	0.2
163.03911	0.5
164.04227	0.1
167.07057	0.3
173.13365	0.1
178.79370	0.1
181.04955	0.2
211.14886	0.1
222.42438	0.1
223.11243	0.1
230.96613	0.1
233.08267	0.1
265.55371	0.1
346.14059	0.2
354.02112	0.1
355.13010	0.1
357.13879	0.6
387.14456	0.4
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	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
53.03939	1.9
53.91124	1.0
55.01872	25.2
55.05492	1.2
57.03425	1.6
57.07093	1.1
60.74020	1.0
65.03916	1.5
67.05492	2.7
69.03417	2.2
69.07062	1.5
70.06564	3.5
70.76117	1.7
70.76470	3.3
71.04974	1.1
72.08141	9.7
79.05478	5.5
81.03401	1.1
81.07025	2.2
83.04971	1.3
84.08134	1.6
85.02900	5.9
86.09708	8.0
89.03910	1.7
91.05478	13.8
93.07027	4.0
93.44455	0.9
95.04962	5.3
97.02847	2.5
98.97571	2.6
99.04397	1.2
103.05443	5.0
105.07008	2.9
106.04108	1.9
107.04959	8.5
107.08598	2.7
109.06523	1.6
111.04437	1.2
115.05460	6.0
116.06214	1.3
116.98617	1.6
117.03384	1.7
117.06995	2.5
119.04961	2.3
119.08562	2.8
121.06489	3.7
122.99500	1.2
123.04413	5.8
123.07965	1.2
124.05159	2.1
127.03895	2.3
128.06198	1.1
129.06966	2.6
129.10277	1.4
131.04919	9.3
131.08508	2.1
131.26633	1.1
132.05690	2.9
133.02783	1.3
133.06485	1.2
133.10033	1.6
134.03596	1.6
135.04359	2.2
135.08063	1.3
137.05940	4.7
143.04910	2.7
144.05621	2.7
145.02821	2.5
145.06462	4.6
147.04367	4.5
147.08029	4.8
149.05943	4.7
151.07542	2.7
155.04930	9.1
155.06926	1.5
157.06500	1.6
159.04367	1.4
160.05234	5.2
161.05998	6.5
163.07518	1.4
163.11162	1.9
165.05470	2.1
165.06834	1.8
167.07036	31.8
170.03564	2.2
171.04414	2.5
172.05183	11.3
173.05951	4.6
175.07536	11.6
177.05460	14.3
178.07693	2.1
179.06935	1.7
180.07689	1.7
181.04828	2.3
183.04366	5.2
185.05954	28.0
187.07458	4.3
188.04662	3.5
189.06932	3.0
191.06985	8.1
191.08536	2.3
193.08519	1.9
194.07187	2.0
195.06471	2.0
200.04726	5.2
202.07768	2.5
203.07016	100.0
204.07436	1.6
205.06454	4.5
205.08331	1.6
206.07230	2.4
207.07997	1.8
207.13765	3.1
209.08057	3.7
215.05057	2.0
215.07033	30.6
218.07286	2.6
219.08157	6.3
220.08719	1.6
221.05945	3.2
221.09674	2.4
223.07504	1.5
225.14835	1.4
231.08063	1.7
233.05905	2.6
233.08096	4.5
234.06715	4.7
235.07558	5.5
236.08163	2.1
237.05458	1.5
237.09189	2.7
245.06111	2.6
246.06738	3.4
247.07541	8.8
248.08238	4.2
249.05359	1.9
249.09077	4.8
250.06200	2.6
251.06989	2.4
253.08136	1.3
259.07504	3.5
261.05423	1.7
261.09064	1.4
262.06262	2.6
263.07043	6.1
264.07880	5.1
265.08432	4.4
266.09348	1.2
267.09885	1.2
274.06311	1.1
275.06943	4.9
276.07751	4.2
277.08597	5.3
278.09360	4.1
279.06784	2.4
279.10092	9.4
280.07391	1.6
281.08002	1.6
283.09644	1.4
287.06921	2.9
289.08627	1.3
291.10016	2.4
292.07291	3.6
293.08075	4.4
294.08719	1.6
295.09488	1.9
296.10074	1.3
297.11163	2.3
299.11609	1.3
304.07077	2.6
305.08023	4.3
306.08694	2.0
307.09595	12.4
308.10324	2.1
309.07608	1.7
309.11243	3.0
319.09787	5.7
322.08313	1.9
323.09125	1.9
324.09995	3.1
325.10529	1.9
327.11996	1.4
337.10715	12.4
338.11362	1.9
339.12244	21.4
351.12094	5.5
357.13239	7.1
369.13406	8.1
372.81506	1.4
380.02713	1.4
387.14246	45.2
387.20117	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02389	0.5
52.76919	0.4
53.03931	0.5
55.01871	5.6
55.05494	0.5
56.96569	0.6
65.03949	2.6
65.52773	0.4
67.05497	1.5
69.03398	0.9
69.07046	0.9
71.04996	0.7
71.43640	0.8
71.55345	0.4
74.74470	0.3
78.04697	0.4
79.05503	2.6
81.03389	0.9
81.07057	1.6
83.04986	0.4
83.08601	0.4
84.96110	0.4
85.02916	2.1
86.09692	0.6
87.04472	0.6
91.05482	2.4
93.07035	1.4
94.04195	2.4
95.04970	1.8
95.08604	0.5
97.02909	0.8
97.06534	16.9
103.05457	2.8
105.03358	0.6
105.07045	1.0
107.04955	2.4
107.08608	1.1
109.02895	0.6
109.06517	0.9
109.10178	0.4
110.03678	0.6
111.04432	0.7
115.05449	2.4
116.98589	0.5
117.07030	2.4
118.04195	0.9
119.04980	0.4
119.08613	0.8
121.06561	0.5
121.10162	0.8
122.03651	7.4
122.04469	0.6
123.04412	1.4
125.06030	0.8
127.03924	0.9
129.06992	0.5
131.04942	3.1
131.08505	0.5
132.05678	0.5
133.02832	0.7
133.06499	1.0
135.04437	0.7
135.11720	0.5
137.05980	100.0
138.06306	1.6
142.02631	0.7
143.04929	3.3
145.06479	3.5
146.03618	0.5
146.99654	0.4
147.04414	0.7
147.08066	0.6
148.05199	1.7
149.05968	0.8
149.13249	0.5
151.03914	7.6
151.05078	0.8
152.04691	0.7
153.05392	0.5
155.04927	0.5
155.06038	0.6
160.05064	0.5
161.05966	1.4
163.04008	0.7
163.07570	2.5
165.05556	0.6
167.07039	19.1
168.07372	0.4
171.04451	0.7
171.06557	1.6
172.05188	0.4
173.06010	3.8
175.07544	1.9
176.04706	0.5
177.05479	1.5
179.03423	1.0
181.04965	24.3
185.05995	0.6
187.07507	0.8
191.07036	9.0
192.07747	0.6
193.08589	0.6
195.06583	1.2
202.07837	0.5
203.07018	3.4
203.08759	0.6
205.06700	0.6
205.08582	2.7
207.17502	0.5
209.08104	1.3
215.06978	0.5
217.08652	0.7
219.08061	0.6
225.18617	0.6
231.08121	0.6
233.08008	2.1
234.06769	1.1
235.07626	0.7
235.09625	2.0
237.02882	0.5
237.09021	0.7
247.07571	0.9
249.09122	1.1
250.06314	0.6
264.07767	0.6
265.08627	0.8
275.07059	1.1
277.08627	1.1
278.09384	0.5
279.10071	0.6
291.10339	0.8
292.07690	0.5
293.07928	0.8
294.08691	0.5
295.09772	0.8
304.07391	0.7
305.08130	2.2
307.09552	0.4
309.11078	0.7
311.09451	0.4
319.09695	1.6
321.07620	0.5
325.10727	0.7
337.10675	3.5
339.12405	1.3
341.13995	0.5
342.11340	0.5
351.12152	2.6
355.11993	0.7
357.13361	14.2
358.13705	0.5
369.13452	2.6
387.14401	42.2
388.14923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
55.01862	0.4
65.03929	1.1
66.04720	0.3
67.05515	0.5
68.21933	0.2
69.03420	0.4
69.07095	0.3
70.15765	0.3
70.16061	1.3
79.05492	0.8
81.07043	0.6
85.02894	0.6
91.05469	1.0
94.04167	2.3
94.17793	0.3
95.04942	0.5
97.06514	1.0
103.05463	0.9
105.07027	0.5
107.04949	1.2
109.06509	0.4
110.03662	0.5
111.04395	0.6
115.05446	1.6
117.07038	1.4
122.03648	7.3
123.04406	0.3
125.06000	0.3
131.04933	0.6
135.07970	0.3
137.05977	100.0
138.06306	1.5
143.04909	2.8
144.05573	0.3
145.06476	2.0
147.08073	0.4
149.02289	0.3
151.03947	3.5
154.34877	0.3
155.06049	0.4
161.05962	0.4
163.07637	0.4
167.07045	8.8
171.06532	1.1
173.05989	3.0
173.66223	0.3
175.07550	1.0
181.04955	17.6
182.05318	0.4
191.07129	1.3
193.04890	0.4
203.07004	1.5
205.08617	1.9
233.08095	0.9
235.09789	1.8
242.28352	0.3
343.07230	0.3
351.12262	0.6
357.08826	0.6
357.13318	11.6
358.13721	0.4
369.13397	0.5
387.14383	35.2
388.14832	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1426
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
55.01865	0.9
55.05519	0.6
56.96560	0.8
65.03946	0.6
69.03423	0.9
69.07036	0.6
70.06591	0.9
70.39493	0.5
71.18621	0.5
71.58820	0.8
72.08161	4.1
79.05479	1.4
80.33971	0.5
81.03422	0.6
81.07048	1.2
84.08127	1.3
85.02922	1.1
86.09705	5.2
91.05473	1.7
93.07032	1.4
94.04173	2.3
95.04993	0.6
97.02888	1.0
103.05441	0.9
105.03209	0.5
105.07029	0.9
107.04944	0.8
107.08595	0.9
109.06531	0.5
110.03658	0.8
114.60804	0.5
115.05460	1.4
117.07029	2.2
119.08574	1.2
119.48663	0.5
121.10131	0.6
122.03650	6.0
123.04379	1.0
124.05175	0.6
127.03928	0.6
129.10252	1.5
131.04919	1.1
133.10190	0.7
137.05981	100.0
137.53154	0.5
138.06320	1.0
142.02696	0.4
143.04881	2.3
145.03030	0.6
145.06483	2.4
147.04379	0.6
147.08035	1.0
151.03906	2.0
157.09767	0.6
161.05888	0.5
167.07059	9.5
171.06543	0.8
172.05330	0.5
173.06000	3.3
175.07542	1.2
181.04968	11.9
186.70715	0.5
203.07019	3.3
205.08673	1.6
207.13823	1.2
219.07990	0.5
225.14897	0.8
233.08128	0.7
235.09698	1.5
302.08441	0.5
337.10931	0.7
357.13358	13.0
368.82635	0.5
369.19919	0.5
387.14301	52.5
388.14825	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.37920	0.2
50.55452	0.3
55.01862	0.7
58.23391	0.3
65.03941	1.2
66.04729	0.4
67.05481	0.6
69.03419	0.7
71.59401	0.5
78.04709	0.4
79.05502	1.4
81.03403	0.5
81.07041	0.8
85.02895	0.9
91.05481	1.3
93.03377	0.4
93.07045	0.5
94.04185	2.4
95.04974	0.6
95.08612	0.6
97.02925	0.5
97.06531	0.8
103.05472	1.2
105.03344	0.4
105.06992	1.0
106.04170	0.6
107.04950	1.1
107.08599	0.4
109.02887	0.3
109.06568	0.4
110.03675	0.6
115.05452	1.9
117.07020	1.7
119.08588	0.4
120.48464	0.3
121.06514	0.4
121.10081	0.3
122.03645	7.4
123.04434	0.9
127.03904	0.4
131.04941	1.5
132.05707	0.5
133.06476	1.1
133.10075	0.3
137.05981	100.0
138.06329	1.3
143.04918	2.9
145.06499	2.7
145.10182	0.3
147.04398	0.3
147.08049	0.6
149.06007	1.2
151.03905	3.8
151.04997	0.5
154.02385	0.3
155.06015	0.8
160.05226	0.3
161.05983	1.3
163.03899	0.3
163.07552	0.3
167.05627	0.7
167.07043	12.8
167.29750	0.3
171.04416	0.5
171.06520	1.2
173.05980	3.3
175.07562	1.3
177.05508	2.3
179.07054	0.4
181.04961	13.4
181.08563	0.6
191.07031	1.7
192.07726	0.4
195.06587	0.3
201.09290	0.3
203.07047	1.3
205.08617	2.1
207.06549	0.5
209.07976	0.3
215.06996	0.5
221.08043	0.5
222.06871	0.3
233.06059	0.4
233.07993	1.4
235.09695	2.0
276.07782	0.4
277.08679	0.5
279.10275	0.4
305.08365	0.4
307.09698	0.4
309.11179	0.4
327.12231	0.5
337.10648	0.7
351.12238	0.7
357.13351	11.5
369.13327	0.8
387.14420	36.1
388.14636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01871	0.8
55.51626	0.4
56.96559	0.8
65.03933	1.4
66.02798	0.3
67.05479	0.7
69.03430	0.7
69.07063	0.4
70.01268	1.5
72.13003	0.4
73.93258	0.3
78.10993	0.3
79.05499	1.7
79.68279	0.3
81.03428	0.5
81.07047	1.5
85.02909	1.0
91.05470	1.5
93.07045	0.5
94.04187	2.8
95.04983	1.0
97.06541	0.8
103.05474	2.1
105.71732	0.3
107.04963	1.8
108.02085	0.4
109.02924	0.5
109.10172	0.4
110.03666	0.5
111.04469	0.6
115.05455	1.4
117.07005	1.3
118.04209	0.4
119.08587	0.4
122.03651	7.0
123.04414	0.6
131.04941	2.0
133.06531	0.6
134.99605	0.6
135.08067	0.6
136.07578	0.7
137.05977	100.0
138.06305	1.2
143.04901	3.3
144.05640	0.5
145.06479	1.9
147.08022	0.6
148.05211	0.9
149.05988	0.7
151.03906	7.0
151.05066	0.4
155.06029	0.7
161.05965	0.5
163.07506	2.1
166.54318	0.4
167.07053	11.0
167.08417	0.7
171.06528	0.7
173.05983	3.4
175.07550	1.1
176.04645	0.4
177.05437	1.1
181.04955	15.9
191.07047	6.7
191.08739	0.4
195.06548	0.7
203.06978	1.9
205.06815	0.6
205.08551	2.3
206.07172	0.5
231.08112	0.6
233.08054	1.1
235.09628	2.4
247.07652	0.6
249.09171	0.4
259.07523	0.5
276.07761	0.5
277.08670	0.7
279.10181	0.5
291.10077	0.6
305.07999	0.7
307.09457	0.6
309.11148	0.5
319.09570	0.9
327.12341	0.5
331.92651	0.4
337.10684	2.0
339.12454	0.7
351.12265	0.9
357.13324	14.9
358.13651	1.0
369.13174	1.0
377.10547	0.4
387.14368	39.9
388.14581	1.8
393.46609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03951	1.8
55.01863	4.5
55.05503	1.6
55.94204	0.8
56.96541	1.2
65.03936	2.1
67.05510	4.9
69.03417	2.2
69.07057	2.3
69.09202	1.0
71.33453	1.7
71.33807	1.3
79.05500	5.3
81.03424	1.4
81.07047	4.7
83.04976	2.1
85.02901	2.5
91.05499	4.6
93.07037	3.9
94.04179	2.4
95.04962	6.1
95.08588	3.1
97.02892	2.8
97.06521	5.3
99.00166	0.9
103.05466	4.1
105.07044	5.8
106.04169	2.2
107.04968	8.1
107.08583	3.5
109.02848	1.3
109.06535	2.0
109.10161	3.1
111.04422	2.4
112.80099	0.9
115.05453	4.2
115.45403	0.9
117.07008	4.3
118.04146	1.6
119.08598	5.5
121.06475	2.1
121.10170	2.4
122.03674	5.8
123.04420	3.7
123.07996	1.3
123.11712	1.0
124.05196	1.7
125.05996	1.0
127.03898	1.1
129.06976	1.0
131.04922	7.3
131.08585	1.2
132.05722	1.3
133.06487	2.7
133.10127	3.3
134.00998	0.9
134.03645	1.2
137.05978	100.0
138.06383	1.0
143.04887	3.4
143.08525	1.3
144.05690	1.0
145.06490	5.8
145.10135	1.9
147.04405	2.1
147.08035	2.5
148.05112	1.4
149.05959	2.7
151.03902	6.8
151.11086	1.3
152.04657	2.0
153.05452	2.3
155.04910	1.3
157.06512	1.0
159.08022	1.2
159.11725	1.1
160.05173	1.3
161.05962	3.5
161.09586	1.1
163.03931	2.5
163.07547	2.0
165.05481	1.5
167.07047	33.8
171.06601	1.1
173.05983	4.7
173.09625	1.1
175.03993	0.9
175.07492	3.1
177.05455	6.0
178.07813	1.9
179.07098	1.9
179.08559	1.2
179.10640	2.1
181.04985	20.6
183.04442	1.1
185.05911	1.1
187.07565	2.6
189.09091	1.0
190.07762	1.2
191.07082	9.6
191.08586	1.7
192.07811	1.9
193.08598	2.0
195.06506	5.3
197.05913	1.0
202.07726	1.3
203.06949	3.0
203.08575	2.4
205.06497	3.3
205.08612	2.7
206.07259	3.1
207.06450	1.7
207.08244	1.2
207.10094	1.7
215.07054	3.9
218.07297	2.5
219.08058	3.7
221.09698	2.0
225.11191	8.3
231.08000	3.6
233.05975	2.6
233.08153	3.1
234.06750	4.1
235.07516	2.8
235.09651	2.7
237.09161	1.9
245.05865	1.2
247.07570	4.7
248.08313	3.0
249.05476	1.5
249.09081	4.9
251.07069	2.5
258.06674	1.2
259.07492	2.6
261.05640	1.6
261.09091	1.3
262.06262	3.0
263.06958	1.9
263.10968	1.1
264.07849	2.3
265.08524	2.1
266.09402	1.1
267.06583	1.2
273.05594	1.2
275.07043	2.8
276.07834	3.9
277.08694	6.1
278.09360	2.0
279.06586	2.7
279.10233	3.9
281.07877	1.8
283.09811	1.7
287.07013	3.0
290.09473	1.8
291.10211	6.8
292.07220	1.2
293.08060	2.8
294.08865	1.2
295.09628	1.2
297.11133	1.3
304.07135	1.1
305.08093	11.9
306.08658	2.0
307.09668	4.8
309.11148	4.0
314.11642	1.2
318.08569	1.2
319.09726	10.4
319.38974	0.9
320.10080	1.0
321.07501	2.4
322.08191	1.2
323.09445	1.1
324.09662	1.8
325.10602	2.8
327.12305	1.4
336.09943	1.5
337.10678	24.3
337.14679	1.5
338.11078	1.2
339.12234	7.2
351.12289	15.6
355.11749	1.0
357.13284	16.5
369.13345	9.7
387.14346	40.9
388.14481	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	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.19053	0.5
55.01860	1.8
55.05503	0.7
56.96554	0.8
57.03416	0.7
61.98028	0.5
65.03925	1.3
67.05495	1.2
69.03431	1.6
69.07055	1.0
70.07389	0.5
70.98988	0.7
70.99323	0.9
77.03918	0.7
79.05492	2.4
81.03419	1.4
81.07056	3.1
82.04175	0.6
82.07407	0.7
85.02882	1.8
88.13343	0.5
89.80849	0.5
91.05500	2.6
93.07029	2.1
94.04176	2.1
95.04971	1.4
95.08601	1.5
96.08970	0.6
97.02878	0.8
97.06550	0.8
98.97538	0.8
103.05472	4.1
105.07053	2.9
107.04960	3.1
107.08596	2.0
108.08910	0.5
109.06488	1.0
115.05435	2.4
117.03365	0.6
117.07030	2.9
118.04253	0.6
119.08572	0.9
121.06541	1.4
121.10126	0.8
122.03638	6.8
123.04450	1.1
123.08038	0.6
124.05197	0.6
125.05967	0.6
127.03893	0.7
131.04910	4.3
133.06465	1.2
133.10147	1.1
135.08073	0.5
135.11711	1.0
136.07562	1.5
137.05975	100.0
138.06332	1.3
143.04924	3.3
145.06502	2.4
147.08075	0.6
148.05205	1.1
149.05960	2.1
151.03912	6.9
151.04996	0.9
157.10228	0.5
159.11658	0.6
160.05182	0.5
161.05988	1.6
163.03860	0.5
163.07590	2.3
165.05467	0.8
165.12700	0.6
167.07047	17.3
171.06554	1.6
173.05989	2.3
175.07542	1.7
177.05452	5.2
181.04950	18.6
181.06520	1.1
187.07576	0.9
191.07024	9.1
193.08623	1.3
195.06544	2.0
202.07733	0.7
203.07222	2.8
204.06517	0.7
205.06697	0.9
205.08652	1.7
207.08267	0.7
215.07141	1.1
219.07944	1.1
221.07147	1.0
231.08040	1.2
233.08087	2.3
235.07559	1.0
235.09697	2.2
247.07462	1.0
248.08345	0.9
249.09039	0.9
259.07483	0.8
261.09186	0.6
262.06259	0.7
263.06946	0.7
276.07861	1.1
277.08536	1.7
279.10129	1.4
287.07196	0.9
290.09436	0.6
291.10138	1.0
293.08102	0.7
295.09760	0.6
305.08170	3.1
307.09583	1.4
309.11142	1.0
319.09518	2.9
331.82855	0.6
337.10724	5.5
339.12210	1.9
351.12311	2.8
351.16721	0.7
354.68634	0.5
355.11838	1.3
357.13306	12.6
369.13428	3.1
369.17703	0.6
373.15375	0.5
387.14392	38.2
388.14761	1.4
405.15970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.52371	0.3
53.03948	0.6
55.01875	1.4
55.05511	2.3
57.03426	1.0
65.03941	1.4
67.05497	3.4
69.03418	0.9
69.07071	1.2
69.78603	2.9
71.05016	0.6
71.08619	1.0
77.13462	0.4
79.05486	2.8
81.03431	0.9
81.07067	3.4
83.04975	1.0
83.08624	1.6
85.02901	1.4
91.05493	3.0
93.03407	0.6
93.07055	2.0
94.04191	2.5
95.04971	1.5
95.08609	1.3
97.02880	0.8
97.06540	0.7
102.97049	0.4
103.05463	2.1
105.07016	2.6
106.04188	0.5
107.04967	2.2
107.08592	1.4
109.06509	0.8
109.10152	1.9
111.04430	1.1
115.05453	1.7
116.98540	0.4
117.07014	2.3
118.04185	0.6
119.08612	1.6
121.06542	0.5
121.10156	1.4
122.03666	6.5
123.04434	0.9
123.08033	0.4
125.05951	0.7
125.09666	0.9
129.06956	0.5
131.04910	2.2
131.08578	0.5
131.84795	0.5
133.06494	0.8
133.10136	0.9
135.11685	0.8
137.05978	100.0
138.06325	1.1
142.02628	0.4
143.04948	2.6
145.06465	3.5
148.05209	1.4
149.05951	0.7
149.13301	0.6
151.03923	5.3
153.05461	0.9
155.05994	0.6
157.10208	0.5
159.11769	0.5
161.05989	1.4
161.13249	0.6
163.03867	0.4
163.07581	1.5
167.07043	14.9
171.06502	1.3
173.01157	0.4
173.06009	3.5
173.11711	0.8
174.99080	0.6
175.07544	1.2
175.11089	0.4
177.05464	1.4
181.04961	17.1
187.07552	0.6
189.00546	0.9
189.11171	0.5
191.07031	6.8
191.08597	0.8
193.08604	0.7
195.06540	0.6
201.05551	0.7
203.07056	1.4
205.08611	2.7
215.07104	0.5
229.14383	1.5
233.08070	1.3
234.06979	0.4
235.09605	2.3
247.07756	0.7
249.08992	0.7
263.07001	0.5
265.08655	0.4
269.17474	0.7
275.07147	0.5
277.08530	0.7
277.21643	0.9
279.10229	0.6
291.10025	0.5
294.09061	0.5
305.08130	1.2
307.09552	0.8
309.11139	0.9
315.11002	0.5
319.09476	0.7
325.10583	0.6
327.12338	0.5
337.10553	2.2
339.12350	0.5
351.12094	1.4
355.11783	0.9
357.13376	12.6
359.22330	0.6
369.13242	1.2
369.19473	1.4
369.26291	1.0
387.14319	34.7
387.21994	1.0
388.14560	1.1
403.31973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.6
55.01871	10.3
55.05507	1.5
55.25814	1.3
56.96555	2.0
61.02887	1.7
67.05478	1.4
67.37456	1.2
69.03416	2.5
70.06588	4.4
71.58897	2.3
72.08158	2.8
73.02917	1.9
78.04720	1.3
79.05484	3.3
81.03404	1.6
81.07034	3.4
85.02885	5.0
86.09703	8.3
90.21592	1.2
91.05478	8.9
93.07034	3.1
95.04955	4.1
95.08620	1.6
97.02876	3.6
98.97577	3.7
103.05455	1.7
105.07018	3.5
107.04943	2.8
107.08611	2.7
109.06483	2.6
115.05440	1.8
116.98664	2.7
119.08607	1.7
121.02865	2.1
121.06483	2.6
121.10146	1.7
123.04411	1.5
123.08051	3.5
123.16742	1.1
127.03856	2.1
128.98598	1.3
131.04958	3.2
137.05965	5.9
139.08629	1.4
143.64441	1.5
145.04976	2.4
147.04399	2.8
147.08040	2.2
149.05925	2.5
149.09569	1.5
151.07562	3.3
152.04570	1.3
155.04890	3.0
159.07932	1.7
160.05208	1.5
161.05934	2.5
161.09277	1.9
163.11189	8.3
167.07050	11.5
169.02242	1.2
171.04515	2.2
172.05211	5.8
173.06033	1.8
175.07518	3.9
177.05478	4.8
180.07841	1.2
181.04984	1.9
181.12212	2.7
183.04437	2.6
185.05989	13.1
188.04701	2.2
191.06963	2.7
191.08539	1.7
200.04634	3.2
203.07047	34.8
205.06624	1.9
206.07387	1.7
207.13867	4.4
209.08101	1.8
213.08987	1.3
215.07042	15.5
219.08038	1.4
221.05969	2.0
223.13483	1.5
233.08034	2.4
234.06624	2.1
234.99030	2.2
237.02808	2.5
243.09103	2.0
247.07547	3.1
259.07584	1.8
261.09515	1.6
264.07584	1.6
277.08450	2.5
279.10208	4.0
283.09158	2.0
293.08344	1.7
305.08188	2.7
307.09613	3.8
337.10721	4.3
339.12341	9.5
351.12415	2.5
357.13522	2.2
369.13470	2.4
387.14212	100.0
387.19742	4.7
388.14270	2.7
405.14645	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.305
Annotation	3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione
Peak:m/z	Relative Intensity
53.03956	0.3
55.05512	2.8
56.96553	1.4
57.07072	0.8
64.10841	0.3
64.47865	0.3
65.42141	0.3
65.87897	0.3
67.05228	0.3
67.05508	3.9
68.05019	1.1
69.07068	2.1
70.06245	0.4
70.06590	5.2
70.22266	1.5
79.05497	2.9
81.07054	5.5
83.04972	0.9
83.08621	1.7
84.08138	1.6
89.26144	0.3
91.05468	1.7
91.83223	0.3
93.07037	7.0
95.04971	0.7
95.08606	14.8
97.10143	0.9
100.07594	2.2
105.07037	2.7
107.08594	7.9
108.08113	0.4
108.08876	0.3
109.10149	6.0
114.05520	4.3
116.07072	1.2
119.08582	4.6
121.09306	0.5
121.10143	6.9
122.09646	0.8
123.08057	0.4
123.11696	2.8
127.96313	0.3
128.07066	5.5
131.08546	0.8
133.10115	2.2
135.08055	1.6
135.11670	2.7
136.11176	1.8
137.13228	0.4
142.08649	0.6
145.10077	0.7
147.11658	1.2
148.11258	0.4
149.13258	1.4
150.12755	0.6
154.08623	1.1
159.11658	0.6
161.13239	1.3
163.14813	0.9
166.08626	0.4
168.10202	14.4
173.13300	0.5
175.02844	0.4
175.14822	0.7
182.11760	4.1
187.14777	0.5
189.16454	0.6
194.11778	3.2
196.13377	0.4
205.09966	0.4
221.68298	0.3
237.45425	0.3
241.31157	0.3
336.18234	0.7
340.29822	0.5
345.17081	0.9
356.70035	0.4
357.99780	0.4
365.68304	0.4
386.30518	100.0
387.30869	6.9
391.18051	0.6
406.12473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38659	1.1
53.03941	1.8
55.01861	1.6
57.03440	19.3
59.04989	3.8
60.04523	1.6
61.02916	5.3
62.19293	1.2
65.89849	1.3
69.03430	65.6
70.19495	5.9
71.01341	1.2
73.02907	5.7
75.04478	1.6
81.03409	5.3
85.02907	87.3
87.04469	53.2
91.03949	4.1
95.04980	1.6
97.02893	58.0
98.21358	2.0
99.04439	4.4
109.02851	5.4
115.03931	84.8
127.02991	1.3
127.03921	26.9
133.04968	100.0
134.05284	1.6
145.04958	46.6
147.04436	2.3
150.07608	9.8
163.06032	23.5
163.11172	3.8
169.68628	1.5
177.05414	1.4
187.05995	2.1
189.12804	1.4
207.13837	2.1
223.06055	1.2
225.15016	1.3
237.13342	5.2
241.07127	2.7
259.08075	4.1
277.09146	3.1
295.10208	4.2
387.15955	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
57.03433	1.3
58.06593	2.0
61.02922	1.9
69.03435	6.4
70.22062	1.0
70.48092	3.5
81.03409	3.6
83.04987	1.5
85.02914	16.6
91.05470	2.9
97.02893	5.6
98.20786	1.2
103.05466	3.3
105.07038	11.5
107.04949	1.5
109.02898	2.6
118.06556	6.0
119.04934	1.8
120.08121	10.1
127.03928	8.0
128.06236	2.6
131.04941	2.6
132.33263	0.9
143.08542	1.3
145.04948	2.2
145.27927	0.9
147.04433	4.1
156.34891	1.0
160.11230	53.9
161.11572	1.7
177.00493	0.9
178.12283	53.4
206.11792	11.0
224.12828	100.0
225.13159	2.9
248.12689	0.9
332.55286	1.0
386.18228	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	386.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.4
57.03436	19.0
59.04998	3.5
60.04512	2.8
61.02918	4.6
67.05513	2.1
69.03432	73.8
70.06578	1.4
71.04993	2.5
71.15168	1.8
71.15508	2.3
73.02906	4.7
75.04468	2.8
81.03404	6.6
83.04990	2.2
85.02907	100.0
87.04469	48.7
91.03984	2.7
91.05454	2.9
95.04972	3.3
97.02288	3.7
97.02898	60.9
99.04438	6.2
106.06585	1.9
108.65182	1.6
109.02907	8.2
115.03931	79.5
119.04950	2.9
120.08125	2.8
127.03918	23.2
132.08098	3.3
133.04968	95.6
136.06157	1.7
145.02902	2.2
145.04961	42.8
147.04407	9.9
148.04732	6.0
150.07605	7.1
163.06023	20.9
169.04904	2.1
177.05495	7.3
187.05997	1.9
191.10780	2.1
207.13785	2.0
224.09099	1.7
227.92177	1.8
229.07088	1.8
237.13371	6.5
241.07039	3.7
259.08163	5.3
277.09177	3.8
295.10187	6.7
387.16574	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59195	1.5
55.05260	2.6
55.05508	36.6
57.03433	13.0
57.06822	2.7
57.07076	30.5
67.05500	15.0
69.07069	47.6
70.53937	5.7
71.04984	2.5
71.08629	17.2
79.05489	6.4
81.07052	22.7
83.08615	29.9
85.06507	1.9
85.10186	10.1
90.30778	1.5
91.05469	2.5
93.07066	13.1
95.08606	19.5
96.00134	1.6
97.06532	6.0
97.10172	20.7
105.07006	2.5
107.08564	9.8
109.10159	11.3
111.08062	4.1
111.11714	6.7
112.85166	1.8
119.08614	1.7
121.10148	10.3
125.09630	5.6
125.13283	2.5
133.10158	2.1
135.11700	5.9
139.11191	4.6
149.13289	5.7
153.12755	4.1
153.54567	1.9
161.13351	2.0
163.14853	2.9
177.16385	2.2
181.15804	3.4
182.69141	1.8
195.17506	2.1
209.18979	2.5
275.27414	7.6
293.28342	15.1
367.31866	10.9
385.33151	100.0
386.02817	2.2
386.33624	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	385.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01852	1.9
55.05510	40.4
56.05812	0.7
57.03193	1.0
57.03437	17.8
57.07074	36.1
60.85663	0.7
62.62289	0.8
64.91814	0.7
67.05175	1.1
67.05504	15.8
68.41122	0.8
69.03416	1.5
69.07067	51.5
70.31669	4.1
71.04991	0.8
71.08630	19.1
72.04507	1.6
73.06528	1.4
75.94981	0.8
79.05498	7.9
81.07055	20.8
83.04983	4.1
83.08617	33.9
85.06548	1.9
85.10188	12.0
91.05476	1.7
93.07033	10.8
95.08601	24.3
97.06528	7.1
97.10166	21.8
98.21430	0.8
99.08086	1.5
99.11739	1.3
101.05975	1.7
105.07092	1.1
107.08576	7.7
109.10156	8.9
111.08085	6.7
111.11726	6.8
113.09650	1.6
115.07526	1.6
119.08588	1.1
121.10130	10.2
122.10394	0.9
123.11702	5.2
125.09622	4.5
125.13273	2.1
129.09100	2.2
135.11687	8.4
137.13242	2.0
139.11176	5.6
141.32936	0.9
143.10677	1.9
145.10184	0.9
149.13277	5.1
153.12784	4.1
157.12202	1.0
163.14799	2.8
167.14325	2.7
170.91798	0.8
177.16354	2.9
181.15906	2.7
188.31410	0.8
191.17979	2.1
195.17450	2.8
197.46381	0.8
199.16953	1.0
205.19576	1.3
209.19122	1.5
216.05283	0.8
220.85576	0.9
223.20552	1.2
267.53098	0.9
275.27304	5.0
293.28369	14.9
294.28763	1.5
311.29633	1.2
311.92862	0.8
315.92557	0.9
367.32111	13.6
385.33118	100.0
386.33368	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	385.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11573	3.0
53.03948	5.2
55.05262	6.2
55.05513	72.4
57.07074	3.9
67.05516	26.9
69.03429	6.8
69.07082	20.3
70.76638	9.8
71.08647	5.4
73.31501	3.4
75.79025	4.3
79.05488	9.0
81.07061	28.6
83.04990	100.0
83.08628	30.2
91.05487	14.9
93.07047	18.3
95.04977	4.0
95.08611	51.7
97.06516	5.0
97.10229	5.7
101.06026	6.2
105.07042	60.2
107.08593	30.8
109.06534	3.7
109.10160	33.3
117.07063	4.2
119.08587	37.4
120.85845	3.8
121.06497	8.3
121.10132	18.5
123.08103	9.4
123.11729	11.6
129.07080	4.7
131.08600	19.4
133.10147	27.6
135.08057	5.2
135.11714	12.6
140.22481	3.4
142.07819	13.5
143.08592	10.4
144.09244	3.4
145.06467	4.9
145.10126	30.3
147.08038	7.3
147.11720	18.2
149.13248	4.8
151.14836	6.3
155.08572	7.3
156.09341	6.9
157.10143	44.6
159.08093	7.9
159.11707	36.0
161.09628	5.9
161.13284	19.5
162.49811	3.5
163.11151	7.6
169.10135	15.1
171.11703	19.4
172.08873	4.9
173.09639	32.8
173.13336	16.8
175.11203	31.9
175.14819	10.2
177.12802	6.6
183.11688	8.3
185.13255	11.7
187.11195	50.8
187.14839	15.4
189.12772	10.3
189.16379	8.7
190.65089	3.4
191.14372	4.3
197.13336	10.2
199.14928	5.3
201.12762	6.1
201.16347	13.1
203.14337	7.6
211.14839	12.6
213.16376	3.4
227.17947	5.2
229.15834	15.8
241.19574	10.8
257.18790	3.9
257.22678	16.6
267.21198	25.1
285.22177	76.2
286.22427	4.7
303.23285	5.1
339.28937	3.4
385.27454	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	385.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	36.8
57.07067	7.8
67.05499	30.2
69.03430	55.8
69.07053	24.0
70.06591	8.6
71.59787	11.8
79.05485	18.2
81.07050	40.6
83.04982	51.8
83.08622	8.9
91.05469	33.5
93.07058	47.1
95.08604	71.3
97.06519	9.9
105.07035	53.8
107.08592	36.3
109.10138	22.0
111.04433	22.3
112.90764	7.5
117.06993	18.4
118.29895	6.8
119.08590	100.0
120.08862	8.4
121.06520	12.9
121.10140	28.8
128.07114	8.1
129.06978	9.7
131.08556	25.6
133.10133	48.6
135.08060	10.2
135.11696	12.2
136.23035	7.1
143.08545	10.0
145.10081	22.0
145.39212	7.0
147.11668	27.3
149.02362	7.8
151.11266	9.4
155.08437	10.1
157.10092	21.0
159.11653	27.9
161.13284	27.0
165.09131	8.8
165.12700	12.8
168.10254	8.5
169.10056	12.9
171.11719	12.6
173.13254	22.1
181.12256	29.7
183.11731	12.3
185.13239	14.7
189.16399	12.4
193.04959	10.5
197.13286	10.2
199.14781	18.3
205.12276	8.1
207.13745	7.3
211.14886	8.7
239.14201	8.9
243.13803	8.7
253.19502	13.7
267.71567	9.5
281.19104	13.6
293.21075	39.3
296.88715	7.6
299.20053	74.0
351.25311	23.2
367.22156	9.6
385.23685	21.0
386.30603	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2373
Annotation	Gerronemin B
Peak:m/z	Relative Intensity
55.05496	12.4
56.27081	3.0
57.07069	3.8
59.04999	6.9
67.05499	10.3
69.03417	6.3
71.04994	4.4
78.04694	3.7
79.05500	9.3
81.07043	14.9
83.04974	8.1
83.08621	6.4
85.06540	4.5
91.05479	24.1
93.07047	18.3
95.05000	8.4
95.08609	20.8
97.06524	11.1
105.07042	33.0
107.08590	29.7
109.06499	12.6
109.10112	10.8
111.04408	4.6
111.08060	14.0
117.07023	9.9
119.08598	38.8
121.06527	8.1
121.10130	17.2
123.08056	23.5
123.11681	5.4
125.09629	5.1
129.07002	9.3
131.08571	27.5
133.10130	15.5
135.08073	6.7
135.11685	18.5
137.05978	14.4
137.09601	7.8
143.08562	10.6
144.09285	3.6
145.10123	28.5
147.08031	11.9
147.11676	9.7
149.07857	4.6
149.09656	7.3
151.07555	52.8
151.19440	3.5
153.09143	5.0
155.10616	4.4
157.10127	9.3
159.08011	12.1
159.11679	30.0
159.12889	5.0
161.09625	9.0
162.10367	4.7
163.11154	18.0
165.09085	7.7
167.07021	3.9
169.10164	4.2
171.11717	8.1
173.13391	5.2
177.09128	13.5
177.12743	17.9
181.10172	5.7
183.11630	5.3
187.11162	16.3
189.12733	12.6
193.62119	3.4
199.11110	7.5
205.12262	35.8
207.13878	6.1
209.15375	7.9
217.12309	8.9
221.15392	9.6
223.14911	4.0
233.15274	6.3
247.16878	5.9
286.19370	13.5
286.57870	3.8
311.16373	6.4
325.21869	5.9
367.22675	10.5
385.23727	100.0
386.23911	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	385.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01864	10.8
55.05513	22.9
57.03431	7.6
57.07072	7.3
61.81676	4.2
65.03938	5.1
66.43535	3.5
67.05505	28.4
69.03422	41.3
69.07073	21.6
69.65924	27.1
70.06583	8.8
71.04974	7.9
73.02909	5.0
79.05486	33.6
81.03414	24.8
81.07055	100.0
83.04975	15.6
83.08608	7.9
85.02894	42.3
85.06556	17.2
86.09718	3.6
87.00813	17.1
91.05477	33.4
93.07035	55.5
94.07391	3.7
95.04988	20.6
95.08604	56.6
97.02892	32.7
97.06512	9.0
99.04480	6.8
99.08044	6.2
100.11242	4.0
103.03959	6.5
103.05467	7.1
105.07038	38.7
107.04945	13.8
107.08590	46.1
109.02874	11.0
109.06495	28.5
109.10157	25.1
111.04436	12.3
111.08076	17.5
115.03858	8.3
115.05479	3.9
117.07027	12.4
119.04974	3.9
119.08575	26.8
121.06495	14.8
121.10168	31.0
123.04441	6.9
123.08047	15.4
123.11696	13.7
125.09623	5.0
127.03931	12.8
127.14339	3.6
129.07002	7.3
129.39113	3.6
131.04973	5.7
131.08571	16.2
133.06493	7.2
133.10104	23.8
135.04417	5.7
135.08023	15.9
135.11687	25.5
137.02359	4.6
137.05995	39.3
137.09624	9.6
137.13251	21.2
139.07582	4.4
143.08548	11.0
145.06523	8.8
145.10130	13.9
147.04497	4.2
147.07990	6.2
147.11694	18.2
149.05988	5.3
149.09648	9.8
149.13268	10.3
151.07564	7.0
151.11211	10.3
153.09064	4.2
153.12762	14.4
155.08598	5.6
157.10106	9.7
159.03017	4.7
159.08038	6.9
159.11670	12.1
160.05086	4.2
161.05949	4.5
161.09644	9.6
161.13216	7.4
163.03873	4.1
163.07561	5.8
163.11162	8.7
165.05540	4.5
165.09114	4.2
165.12749	25.0
167.07097	19.2
167.14302	11.4
171.11674	6.5
173.09583	4.1
173.13309	10.2
175.07576	4.9
175.11156	6.5
175.14786	5.1
177.09166	6.4
177.12766	10.9
179.14304	6.8
181.04964	6.0
181.08617	5.7
187.11198	3.9
189.03877	5.1
189.09106	6.3
189.12773	9.1
191.14302	7.4
193.05003	4.3
195.08051	5.2
199.14798	5.4
201.03876	8.2
201.05534	24.0
203.14328	8.5
207.08217	5.1
207.10161	8.7
207.13766	5.3
214.09650	4.0
215.14203	4.6
219.13890	5.3
221.15353	8.4
227.14394	7.9
231.06679	6.4
235.07556	7.6
237.02724	3.7
237.09187	6.1
245.15363	26.9
247.07538	5.8
250.06276	4.2
251.06943	5.5
263.07126	4.6
263.16403	26.6
264.07916	5.4
265.08542	5.8
267.10065	4.1
277.08713	6.7
280.07312	4.2
281.17456	10.3
293.08072	4.4
294.08688	5.0
295.09552	6.1
305.71869	3.9
307.09549	5.3
311.89172	4.1
321.07556	4.1
323.09323	19.6
323.18512	6.4
325.10532	6.6
327.12024	4.7
335.09076	14.7
349.16629	28.8
353.10107	25.1
355.11877	10.9
357.13519	5.1
367.11597	7.9
367.17194	19.7
385.12808	36.5
385.18237	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	385.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.01875	40.6
55.05515	29.8
57.03432	15.8
67.05499	44.6
68.99792	5.3
69.03436	49.4
69.07072	48.4
70.32062	4.9
70.80800	15.4
71.04960	7.9
73.02898	5.7
76.67697	6.0
79.05498	35.8
81.03426	26.1
81.07063	100.0
83.04991	62.5
83.08617	7.1
85.02917	49.6
85.06561	9.9
86.62454	4.8
87.00822	24.9
91.05481	30.2
93.07042	77.0
95.04967	26.2
95.08614	58.8
97.02898	25.0
97.06532	12.7
99.04452	9.7
105.07042	44.8
107.04998	12.4
107.08604	61.1
109.02899	7.6
109.06509	46.2
109.10156	26.0
111.00825	11.8
111.04453	45.5
111.08099	10.1
113.06001	8.4
115.03939	9.4
117.07045	18.1
119.08594	44.9
121.06538	8.3
121.10152	57.8
123.04441	13.8
123.08092	14.1
123.11698	23.7
125.06007	9.3
127.03921	11.5
128.06207	6.2
129.07037	12.8
131.08548	16.2
133.06404	5.4
133.10129	30.6
135.08075	15.4
135.11670	34.4
137.06023	9.7
137.13251	14.3
139.11142	8.7
142.07738	5.8
143.03456	7.5
143.08560	11.4
145.10132	14.3
147.08055	11.7
147.11745	25.9
147.12706	5.4
149.02309	9.3
149.09634	11.6
149.13252	11.7
151.11197	10.5
153.12773	22.3
157.10126	12.3
159.02933	8.6
159.08076	6.5
159.11702	14.9
161.09689	6.5
161.13255	23.8
165.09087	6.0
165.12767	48.2
167.07115	6.7
167.14320	10.5
171.02885	22.3
171.08067	5.4
171.11665	11.4
173.13280	14.9
175.11154	7.0
177.09062	9.4
177.12781	14.9
179.10689	5.5
179.14230	24.9
181.08632	7.3
183.11755	6.7
185.13237	8.4
189.03896	12.3
189.12714	7.7
191.14352	18.9
193.04944	9.5
201.12596	7.8
203.14369	19.1
207.13782	7.3
209.15338	5.3
217.15862	6.6
221.15367	20.6
227.14374	9.1
233.15323	14.4
239.09155	9.2
245.15402	40.1
263.16409	45.4
281.17593	35.9
308.61716	5.6
349.16547	23.6
367.17511	21.4
385.09088	11.3
385.18707	15.6
385.23840	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01870	1.5
55.05508	4.8
56.59171	1.0
57.03455	1.4
57.07077	13.4
64.75529	1.3
65.03910	1.3
67.05503	13.0
69.03428	20.3
69.07075	9.1
70.26205	3.9
70.84344	1.0
71.04989	3.1
79.05481	9.0
80.12407	1.2
81.03403	7.8
81.07057	100.0
82.07402	1.5
83.04979	10.3
85.02908	11.3
87.00819	4.3
87.04453	1.3
91.05479	3.6
93.07029	10.6
95.04964	4.5
95.08607	60.2
97.02917	7.6
97.06548	1.5
99.04455	2.0
105.07056	5.2
107.04942	1.6
107.08603	8.7
109.02888	4.2
109.06519	2.7
109.10158	10.6
111.04436	9.2
115.03943	11.0
115.24198	1.1
115.39784	1.3
116.98624	1.2
117.07018	2.4
119.08559	6.0
121.06540	2.6
121.10139	6.4
123.08114	1.4
123.11729	4.0
127.03928	8.0
129.06984	1.5
131.08565	2.2
133.06572	1.3
133.10110	3.7
135.08067	1.5
135.11682	7.5
137.06009	1.9
137.09647	6.3
137.13254	92.3
138.13620	1.7
140.13303	1.2
143.08456	1.4
145.10146	2.7
147.08121	2.1
147.11694	8.6
149.06136	1.3
149.09731	1.5
149.13239	2.4
153.12711	2.5
157.10141	1.6
159.08081	1.8
159.11699	4.3
161.09613	1.8
161.13263	2.3
163.11185	1.8
165.12703	8.0
167.14325	4.5
171.11725	1.5
173.13226	1.9
175.11198	1.6
175.15092	1.4
177.12770	3.3
179.07008	1.6
179.14282	1.7
189.09187	1.5
189.12791	3.2
191.14296	2.0
195.13820	16.4
201.04001	3.1
201.12807	1.8
203.14284	2.0
207.13860	3.6
209.15324	1.4
215.14384	1.7
219.13721	2.3
221.15549	1.2
227.14276	1.3
231.04932	2.0
233.15437	4.8
237.02773	1.1
245.15350	6.0
253.11014	1.3
263.16425	16.3
281.17551	1.8
285.01630	1.4
323.18484	5.8
349.16446	14.0
367.17502	7.7
373.15051	1.4
385.12955	3.4
385.18997	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.2
53.83035	3.2
55.01869	10.4
55.05518	13.3
57.03423	8.2
57.07061	4.1
59.03528	2.4
59.26704	3.0
61.02912	3.6
63.19402	2.2
65.03945	2.6
67.05513	20.5
68.99778	8.9
69.03084	3.9
69.03432	51.6
69.07070	34.1
70.89030	8.8
71.04989	4.9
73.02907	5.5
74.07642	2.5
79.05496	34.4
81.03424	22.9
81.07060	100.0
83.04996	13.9
83.08604	8.0
83.90165	2.3
84.75777	2.5
85.02422	4.3
85.02908	51.2
85.06548	14.7
87.00843	26.3
91.05483	27.8
93.07045	64.2
95.04966	15.8
95.08610	62.0
97.02906	22.6
97.06540	15.2
97.10180	3.5
99.04451	7.3
99.08083	4.7
103.03928	6.1
103.05476	3.5
105.01859	5.7
105.07037	51.1
107.04942	13.1
107.08595	52.9
109.02865	6.1
109.06543	24.9
109.10173	20.7
111.04440	8.2
111.08082	26.8
115.03933	9.5
115.05458	2.3
117.01842	3.7
117.06997	14.1
119.08580	36.6
121.06492	11.2
121.10147	39.2
123.04431	5.8
123.08101	12.6
123.11711	16.9
125.06050	5.4
125.09643	3.8
127.03909	10.6
128.06262	3.2
129.01804	5.7
129.07011	6.6
130.58711	2.9
131.08591	22.1
132.05702	2.7
133.06485	8.0
133.10135	21.8
135.04417	2.7
135.08066	14.5
135.11708	26.9
137.05954	6.9
137.09583	8.0
137.13290	25.1
139.07523	6.0
139.11198	5.8
142.07809	5.4
143.08536	15.3
145.06465	3.5
145.10124	13.1
147.04349	2.7
147.08066	7.8
147.11700	29.8
149.09627	7.0
149.13271	24.4
151.07507	8.9
151.11180	8.2
153.05536	2.9
153.09119	7.6
153.12787	19.6
155.08583	3.4
156.09354	3.2
157.10112	9.0
159.02916	9.1
159.08105	7.2
159.11690	22.5
161.09583	11.0
161.13251	11.4
163.07536	4.0
163.11153	10.2
165.09091	4.4
165.12759	33.2
167.07085	6.0
167.14290	15.3
169.10138	3.8
171.02768	4.3
171.08051	2.8
171.11682	5.7
173.09637	3.9
173.13260	9.6
175.07538	2.6
175.11238	4.1
177.09119	6.1
177.12737	15.4
179.10614	4.9
179.14360	14.8
183.10204	3.7
183.11647	5.1
185.09718	4.1
185.13264	10.2
189.03918	10.6
189.09050	3.8
189.12744	9.1
191.14339	13.5
195.10184	5.3
195.13791	4.7
199.11189	2.9
199.14891	4.5
201.03909	5.9
201.12730	6.8
203.14354	8.7
205.12296	3.7
207.10158	4.9
207.13791	4.8
209.13341	3.1
209.15321	9.4
215.14313	4.1
217.15883	6.2
219.13818	6.1
221.15331	9.2
227.14224	15.1
233.15298	7.3
239.16409	3.2
245.15359	37.3
263.16443	43.2
281.17456	13.9
323.09109	3.0
323.18463	3.2
349.16434	27.9
355.11609	3.5
367.17535	24.7
385.13956	4.1
385.18652	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01875	13.9
55.05514	31.7
55.38037	2.8
57.03437	10.7
57.07074	19.5
57.53613	2.6
61.02915	10.6
67.05509	40.8
68.99787	9.0
69.03072	5.0
69.03429	76.3
69.07072	29.7
70.13759	7.9
70.14157	4.0
71.01353	5.4
71.04997	8.3
71.08635	3.5
73.02908	6.5
74.79317	2.6
79.05492	33.6
79.27091	2.6
81.03419	32.4
81.07054	97.7
83.04968	15.1
83.08618	22.3
85.02911	55.8
85.06544	42.0
87.00822	32.0
91.05474	29.1
93.07042	55.7
95.04962	21.6
95.08606	100.0
97.02886	32.5
97.06534	57.0
97.10160	17.1
98.48826	2.8
99.04465	8.3
99.08094	11.1
103.03946	9.9
105.01868	8.7
105.07034	47.3
107.04950	8.8
107.08601	84.8
109.02881	10.8
109.06510	22.1
109.10150	44.2
111.04425	9.1
111.08062	13.8
115.03933	11.0
115.05460	4.1
117.01857	3.2
117.07018	12.9
119.08582	53.1
121.06511	16.1
121.10136	45.4
123.04421	9.9
123.08040	16.8
123.11710	19.9
125.05986	4.3
125.09611	7.4
127.03904	16.5
127.07524	2.8
128.06239	6.5
129.01859	6.2
129.06975	5.5
131.08572	22.2
133.06485	6.6
133.10136	30.5
135.08099	15.6
135.11668	26.2
137.05998	15.9
137.09615	9.3
137.13240	38.7
139.07564	6.2
139.11218	3.7
143.08522	16.5
144.09354	4.7
145.04947	4.3
145.06476	5.4
145.10109	23.1
147.02872	6.5
147.08034	17.2
147.11656	25.7
149.06024	4.2
149.09622	11.5
149.13260	31.7
151.07545	8.8
151.11180	10.1
151.14816	4.9
153.12776	7.7
155.08496	4.2
156.09279	4.4
157.10147	16.3
159.02876	11.8
159.08064	6.2
159.11699	29.4
161.09624	19.1
161.13243	20.3
163.07478	4.7
163.11177	12.1
163.14825	6.7
165.09135	9.8
165.12752	29.0
167.14331	22.7
169.10144	4.1
171.02907	3.2
171.11685	11.1
173.09644	6.5
173.13286	15.6
175.07607	4.9
175.11208	9.1
175.14848	3.7
175.27722	2.9
177.12709	21.0
179.10670	6.0
179.14316	25.6
181.08624	3.5
183.11729	4.1
185.09654	8.8
185.13258	7.8
187.11188	11.9
189.03952	8.8
189.09093	5.7
189.12747	14.4
191.14317	13.1
193.08623	8.2
195.13866	7.9
199.11330	3.2
199.14842	8.8
201.03926	17.1
201.05446	4.6
201.12752	5.3
203.14339	10.6
205.12312	3.1
207.13762	10.0
209.13435	4.6
209.15396	7.9
211.09798	4.1
215.14206	4.5
217.15901	9.2
219.13687	4.7
221.15364	14.0
227.14336	13.0
233.15443	5.6
233.27092	3.0
239.16365	3.9
245.15369	45.0
263.16400	37.9
281.17490	16.1
323.18362	3.6
331.15182	3.8
349.16544	27.8
350.16614	3.2
367.17560	38.8
385.13327	4.3
385.18433	35.3
386.18420	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.0
55.01869	16.1
55.05270	3.0
55.05512	35.1
57.03419	11.2
57.07080	14.3
59.61110	2.5
61.02918	7.6
67.05503	47.8
68.99774	12.0
69.03427	86.8
69.07062	35.0
70.13573	14.1
71.01354	5.5
71.04989	6.7
71.08627	4.6
73.02910	6.7
76.16743	2.4
79.05484	34.1
81.03413	31.1
81.07054	100.0
83.04959	15.2
83.08624	24.9
85.02898	50.6
85.06547	34.3
86.83382	2.6
87.00824	31.7
91.05479	32.3
93.07043	56.9
95.04981	23.5
95.08604	99.8
96.08943	3.0
96.83020	2.6
97.02906	25.7
97.06530	53.8
97.10157	11.5
99.04466	6.7
99.08091	11.7
103.03946	7.5
103.05471	4.0
105.01856	8.8
105.07027	51.9
107.04939	11.1
107.08595	81.4
108.08920	4.0
109.02857	7.2
109.06515	22.0
109.10160	37.4
111.04443	10.4
111.08070	16.5
113.05904	2.7
115.03928	11.4
115.05479	2.7
117.01878	2.8
117.07017	13.0
119.08573	51.4
121.06500	15.4
121.10147	42.1
123.04411	6.8
123.08063	15.7
123.11708	18.6
125.05945	3.6
125.09624	8.9
127.03927	9.5
128.06221	3.3
129.01842	8.5
129.06999	8.0
130.07762	3.9
131.08568	21.6
133.06490	6.7
133.10112	25.1
134.90671	3.2
135.08023	19.1
135.11687	28.0
137.05986	8.9
137.09619	10.5
137.13260	38.2
139.07529	4.3
139.11177	3.7
142.07748	4.9
143.08606	15.6
144.09300	4.5
145.06476	4.5
145.10132	25.7
147.02866	4.9
147.08018	21.4
147.11694	25.6
149.05998	4.0
149.09621	16.6
149.13268	34.0
151.07539	4.3
151.11179	9.9
151.14790	4.2
153.09119	5.6
153.12724	6.0
155.08630	2.9
156.09329	4.0
157.10115	14.2
159.02890	9.1
159.08049	6.3
159.11662	23.5
160.08757	3.2
161.09619	18.4
161.13254	18.2
163.07553	5.1
163.11203	10.1
163.14821	5.2
165.09128	10.2
165.12764	32.2
166.13170	3.1
167.07074	3.7
167.14319	19.4
169.10121	9.7
171.02901	4.2
171.11711	8.1
171.58565	3.0
173.09598	7.6
173.13260	12.0
174.10181	3.0
175.07567	3.8
175.11188	9.5
175.14851	3.3
177.09166	3.8
177.12740	26.8
179.10713	6.9
179.14301	29.6
183.11719	3.8
185.04321	2.9
185.09697	5.8
185.13217	9.1
187.11189	11.5
189.03918	9.3
189.09102	7.8
189.12766	14.8
191.14323	15.0
193.08568	8.5
195.13805	8.6
199.14810	8.8
201.03925	19.3
201.05489	5.9
203.14281	11.0
207.13791	10.0
209.13361	6.5
209.15314	7.2
217.15848	12.1
219.13672	5.7
221.15361	9.2
223.13284	2.6
227.14294	16.1
233.15338	7.6
235.16913	3.7
245.15385	51.9
263.16415	46.2
278.06027	2.7
281.17407	18.4
315.10544	3.4
323.18546	5.7
331.15240	3.6
335.09207	3.3
349.16428	27.8
367.17493	38.6
385.18570	35.4
386.18988	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	385.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.25537	0.7
63.48603	0.8
69.95965	1.5
69.96371	3.8
79.05489	2.1
81.07040	2.1
85.02877	1.0
85.06535	0.9
88.85580	0.8
91.05484	5.6
92.62003	0.8
93.07037	1.2
94.04155	1.0
95.04964	1.1
95.08562	2.2
97.30845	0.8
101.06026	1.0
103.05460	7.0
105.07027	10.3
107.04955	15.5
109.06535	6.3
115.05435	6.0
116.06261	1.3
117.07013	2.2
119.04964	2.0
119.08510	1.0
121.06532	1.1
121.10176	1.0
122.03637	3.0
129.06999	1.3
131.04916	13.0
131.08562	1.2
133.06500	7.5
135.08066	4.1
137.05972	48.0
141.06999	5.3
143.04964	1.2
145.06471	2.0
146.03607	11.8
147.04359	1.8
149.02351	1.3
149.05978	8.8
151.03906	1.9
151.07559	10.8
153.06929	0.9
155.08485	1.0
157.06456	0.9
158.07265	1.2
159.08107	1.0
161.05981	100.0
162.06375	5.0
163.07542	28.1
165.06927	3.9
166.07813	4.0
169.06468	5.8
173.09618	2.4
174.06786	1.2
175.07518	10.8
177.05460	2.9
177.06961	3.1
178.07730	3.1
179.08556	3.7
181.06546	1.6
187.07581	1.2
189.07008	2.5
190.07776	9.2
191.08557	3.0
193.04936	1.0
193.06511	2.1
194.07256	19.0
194.08894	1.5
194.10857	0.9
195.07986	2.6
197.05983	1.4
201.09114	13.6
202.07724	1.6
203.08533	5.3
204.09326	2.7
205.06514	9.1
205.10132	19.0
206.07239	2.6
207.08066	5.5
208.08760	2.0
209.06017	2.0
209.09598	5.2
211.07507	2.5
215.08545	5.7
218.07257	9.1
219.08122	5.5
220.08813	1.0
221.05984	5.1
221.09619	3.3
222.06775	14.1
222.10396	3.4
223.07434	2.7
223.11159	1.0
224.08289	2.3
226.06291	0.9
226.09906	1.1
231.08145	1.2
232.08856	3.4
233.06148	4.3
233.09604	34.3
234.06700	2.8
234.10214	3.7
235.07539	7.4
236.08302	2.7
237.09111	20.4
237.12744	1.9
239.07074	4.0
239.10704	1.2
240.07866	1.0
241.08574	1.3
247.07509	3.6
247.11334	1.5
248.08347	1.7
249.05469	2.1
249.09244	4.9
250.06256	6.5
250.09903	13.0
251.07039	4.1
251.10577	2.9
252.07848	2.6
253.08630	2.7
254.09492	4.0
255.06548	0.9
258.27991	0.9
260.08282	2.1
261.09058	21.9
261.11288	2.4
262.09753	4.5
263.07080	4.4
263.10010	0.8
264.07797	6.0
264.10953	1.1
265.08615	54.8
265.12231	21.2
266.09109	4.0
266.12625	1.8
267.06454	2.0
267.10260	2.4
269.08127	5.3
269.11798	1.1
275.10565	2.0
277.08609	3.7
278.09369	14.8
279.10098	6.4
281.07944	3.9
282.08810	9.6
282.11975	1.2
283.09720	1.4
284.10410	5.9
291.10196	1.0
293.11716	69.2
294.12347	8.4
295.09671	5.7
296.10492	3.1
297.11246	80.8
297.14709	7.6
298.11719	4.9
307.77191	0.8
309.11282	1.3
310.11938	5.6
311.12735	5.5
325.14337	81.1
326.14709	5.4
327.12332	2.4
328.12906	1.4
337.71204	0.9
342.14569	4.1
343.15402	8.6
353.13803	18.6
353.18005	0.8
354.14169	2.0
367.15497	1.1
385.16458	52.7
385.31244	2.1
386.16708	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26242	0.8
65.03925	1.3
69.03413	1.8
69.07076	1.0
71.61450	2.0
79.05486	3.7
81.03413	2.0
81.07048	2.3
82.61131	0.8
83.06384	1.0
89.06596	0.9
91.05489	6.4
93.07029	1.8
95.04967	2.2
95.08611	2.3
97.02889	1.4
97.79211	1.0
97.95126	1.1
103.05464	2.5
105.05507	1.0
105.07045	9.2
107.04913	2.2
107.08659	1.0
109.06551	1.5
109.10163	1.4
115.05445	3.2
117.07021	1.5
119.08589	3.4
121.06540	2.0
121.10147	1.3
123.04437	1.7
123.08079	1.0
127.04027	1.0
128.06218	3.8
129.07021	9.0
131.04935	3.3
131.08572	2.2
132.05687	2.8
133.06503	7.9
136.05203	3.8
137.05965	4.4
138.06781	1.3
141.07016	1.1
144.05705	3.1
145.06503	3.0
145.10057	1.1
147.08047	4.7
148.05197	10.7
151.03914	3.5
151.07527	1.3
154.06212	4.7
155.04878	1.6
156.05646	1.7
157.06505	1.6
159.08078	11.5
159.11690	1.0
160.05196	3.4
161.05972	14.7
161.09593	1.2
163.07565	1.3
165.05479	2.1
166.06255	15.5
167.07034	3.6
169.06442	1.7
169.08577	3.0
170.26814	1.1
171.07974	1.4
172.05249	4.6
172.06537	1.0
174.06871	1.2
174.95963	1.0
175.07558	26.0
181.08597	100.0
182.08984	4.0
184.05179	2.5
187.07549	37.2
188.07837	1.2
190.06212	2.9
191.07016	1.4
199.07574	10.3
200.08015	1.0
203.08722	1.4
205.06670	1.7
205.08601	7.3
205.15849	1.6
217.08594	1.4
219.08075	3.0
223.09581	1.2
231.08032	3.0
232.08940	1.4
233.09599	2.9
234.06898	1.1
235.07600	1.3
236.08086	1.6
247.07520	3.1
248.08345	1.1
249.09186	4.2
251.10561	1.3
261.09146	3.9
262.09952	2.2
263.10675	2.9
264.11374	2.9
265.08649	2.9
275.07278	1.9
275.10410	1.4
276.07813	1.2
277.08575	3.5
278.09317	2.5
281.11594	1.7
289.08673	3.7
290.09344	2.0
291.10199	3.4
292.10880	5.1
293.08060	3.7
293.11746	4.8
295.10266	1.5
295.13257	8.0
303.10428	1.0
304.10898	2.6
305.08322	1.2
305.11612	3.5
307.13293	1.1
308.10547	1.9
309.11108	6.1
321.11218	6.6
323.09277	1.4
323.12738	8.4
324.13489	10.6
325.10773	2.4
335.12787	2.8
336.13522	8.4
340.12885	8.2
355.11319	1.8
355.15433	23.8
356.15634	1.6
367.15390	6.3
385.12729	3.2
385.17111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95037	0.5
53.03942	0.6
55.01868	0.7
55.05518	0.4
55.27197	0.4
55.64637	0.4
56.33630	0.4
57.12739	0.4
61.81188	0.4
66.04739	0.4
69.42780	3.7
78.04706	2.3
79.05495	3.5
81.03414	0.9
81.07039	1.3
85.02932	0.7
91.05473	1.2
93.07072	0.5
95.04957	1.2
95.08606	0.8
97.02910	1.3
97.06565	0.6
99.08093	0.9
103.05453	1.4
105.07040	7.5
106.04157	1.2
107.04969	4.7
109.02889	1.2
115.05457	3.4
117.07011	2.7
118.04153	0.9
121.06499	0.8
122.03709	0.4
123.04439	6.4
124.05238	2.5
125.05988	0.8
127.03920	1.4
128.06242	1.4
131.04935	0.7
131.08594	0.5
133.06506	8.1
137.05977	0.9
143.08553	1.0
144.05728	1.3
145.06490	4.8
149.06000	0.7
151.03877	1.4
152.04689	1.7
153.07018	0.8
155.06047	1.4
156.05705	0.7
161.05986	12.0
167.07051	100.0
168.07367	3.1
170.07259	0.6
171.08072	2.1
172.05223	0.5
173.05991	5.2
181.08684	2.8
187.07555	0.9
190.06367	1.0
191.07013	1.0
192.07735	1.0
193.08632	14.9
199.07515	2.4
205.08598	19.5
206.09016	0.8
217.08609	0.5
219.10281	0.7
231.08049	0.9
231.10196	8.4
233.09628	1.2
235.07715	0.5
235.85548	0.4
246.06862	0.4
247.07512	0.6
249.09105	0.6
261.09177	1.0
265.08575	0.6
278.09579	0.7
279.10083	0.5
282.09222	0.6
293.11746	0.9
295.09650	0.5
296.10571	0.6
302.27734	0.5
310.11877	0.6
315.08786	1.3
321.11194	1.4
325.14453	1.5
330.11066	1.0
339.12183	1.0
343.11847	0.9
353.13864	6.7
354.14230	0.7
357.13416	1.0
385.16534	11.6
386.16983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1642
Annotation	Sigmoidin J
Peak:m/z	Relative Intensity
55.01859	0.8
55.05508	0.7
58.39456	0.7
67.05493	1.1
69.03411	0.7
69.07047	1.3
71.57007	1.2
78.04710	2.0
79.05499	4.3
81.07054	1.6
91.05466	1.8
93.07015	1.5
95.04952	0.8
97.06517	1.0
100.86023	0.7
103.05470	2.0
103.73524	0.9
105.07019	7.9
106.04176	1.3
107.04952	5.2
115.05450	3.1
116.06239	1.2
117.07032	3.4
121.06487	1.1
122.03585	0.6
123.04420	5.4
124.05190	1.8
124.20770	0.7
128.06229	1.0
131.04877	1.0
133.06491	6.9
137.05940	1.7
141.07059	0.7
143.08580	1.2
144.05669	1.6
145.06474	6.0
151.03897	1.3
152.04677	2.0
153.07001	0.8
155.06018	1.3
156.05739	0.7
161.05972	11.1
167.07034	100.0
170.07321	0.8
171.08035	1.5
172.05330	0.7
173.05940	5.5
181.08611	3.8
181.09964	0.7
187.07584	1.2
190.06235	1.1
191.06944	1.4
193.08607	15.0
199.07582	1.8
205.08589	21.7
219.08099	0.7
231.10143	8.4
233.09721	0.9
235.07697	0.7
240.71115	0.8
296.10257	0.6
321.11121	1.5
325.10861	1.0
325.14374	1.6
330.10904	1.3
343.12228	1.4
353.13773	6.4
357.13217	1.2
385.12653	1.0
385.16559	10.0
385.23849	2.0
385.28894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70866	0.7
55.53372	0.7
67.05527	0.7
69.03423	1.9
70.06583	2.4
70.90595	2.2
72.08151	1.5
72.11511	0.7
72.12204	0.7
73.70229	0.6
75.97542	0.7
77.28719	0.8
79.05513	1.1
81.07059	1.4
85.02895	1.6
86.09694	2.0
89.03918	7.7
91.05482	2.8
93.07037	1.5
95.04955	0.8
96.49210	0.7
103.05468	0.9
105.07019	2.5
107.08563	1.5
116.07121	0.8
116.98618	1.0
117.02612	1.5
117.03381	21.0
119.08592	0.9
121.06522	0.9
127.03859	1.1
127.73854	0.8
133.06442	0.8
134.03639	1.9
135.04395	2.3
135.08107	0.8
137.05946	2.0
145.02844	49.8
145.10023	0.8
146.03207	1.9
149.05988	8.2
158.11154	0.7
161.05995	1.0
163.03909	0.9
167.07036	3.0
177.05469	100.0
178.05823	3.1
186.05464	2.0
193.08649	1.3
201.05405	4.2
205.12257	1.4
223.13347	1.4
232.45451	0.7
261.60251	0.8
322.26743	0.8
367.10397	1.8
385.18311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	1.5
57.03432	0.9
61.02915	1.4
69.03431	5.5
70.06596	2.0
71.08637	3.6
71.59500	1.7
72.08981	2.0
73.02928	1.6
79.05490	1.8
81.03416	2.8
81.07061	1.8
83.04978	1.3
85.02910	7.6
86.03237	0.9
86.09717	1.8
87.00835	1.4
87.04427	1.0
89.03934	5.2
91.05486	2.0
93.07046	2.0
95.04971	1.6
97.02900	4.3
99.04466	1.7
99.08101	2.9
100.08451	2.4
105.01897	3.0
105.07077	2.3
106.05113	0.9
107.04932	1.1
107.08600	1.5
109.02850	1.2
109.10179	3.2
117.03387	21.8
117.04221	1.1
117.07035	1.0
119.08567	1.4
121.06480	1.9
121.10152	1.8
123.08112	1.1
127.03917	3.7
133.10114	1.1
135.08083	1.6
137.06000	2.6
141.01897	1.4
145.02858	49.2
145.10107	1.4
146.03218	2.0
149.05991	7.5
163.07608	1.0
163.11209	2.7
167.07060	4.3
173.11743	2.1
174.12082	2.5
177.05476	100.0
178.05835	4.0
178.26132	0.8
181.12306	2.9
186.05464	1.2
191.12782	2.4
192.13031	2.2
201.05490	4.4
205.12263	5.1
217.08595	1.1
223.13330	4.4
231.06647	1.0
276.97208	1.1
314.62592	0.9
353.10202	1.3
367.10388	1.3
376.06866	1.0
385.12915	1.5
385.18359	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	385.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	3.2
68.48185	0.3
69.03394	0.6
71.06949	0.8
71.95238	0.4
81.07005	0.7
82.56036	0.3
85.02864	0.5
87.71767	0.3
97.47481	0.3
98.97579	16.1
99.97865	0.5
100.97197	0.3
100.97971	0.4
101.00845	0.6
116.98619	22.0
117.98906	0.4
119.01918	4.2
126.58804	0.3
133.25674	0.3
134.99654	26.1
135.99931	1.0
136.99217	0.5
137.02962	2.8
140.00140	0.3
147.04395	0.8
152.99649	0.4
153.00725	6.7
158.01338	1.5
158.99837	0.5
176.02367	0.3
177.00954	12.4
178.00996	0.9
179.00697	0.7
182.99860	0.8
200.02626	0.3
201.00885	1.0
208.96481	0.3
216.98701	0.5
217.04156	2.2
218.03807	0.6
219.01997	22.4
220.02048	1.8
221.01738	1.4
222.01852	0.4
225.00894	2.4
234.99883	2.5
236.00029	0.6
236.99728	1.4
240.98692	1.2
241.46350	0.3
242.03532	0.9
242.98573	1.0
243.01941	5.3
244.02177	0.5
258.99796	11.2
259.99976	3.1
260.99747	11.0
261.03049	100.0
262.00275	0.5
262.03189	6.1
262.99570	0.3
263.03122	1.5
264.99014	0.4
267.05472	0.4
274.97659	0.6
275.97818	0.4
277.00848	24.6
278.01010	6.8
279.00626	22.9
280.00928	1.2
281.00833	0.4
282.01563	0.7
282.99945	4.1
284.00037	1.6
284.04599	6.0
284.99731	3.9
285.04709	0.4
285.99942	1.0
286.99631	0.9
294.98737	0.5
295.01776	0.6
300.02319	1.7
301.00977	11.0
302.01334	4.1
303.00891	9.1
304.00867	2.0
305.00644	1.3
316.98920	0.5
319.02005	0.5
319.98685	0.8
320.98761	0.3
321.02484	0.3
325.00949	0.4
326.01978	0.4
332.03751	0.4
343.02109	2.4
344.02393	0.5
345.01758	0.4
351.99704	0.3
354.93439	0.4
356.92850	0.4
356.96814	0.7
359.96130	0.5
361.00128	0.9
361.02695	1.1
361.99783	1.0
367.02145	2.4
370.49283	0.3
379.02423	1.1
380.96835	0.6
382.48367	0.5
382.98016	0.6
385.03195	15.0
386.03464	1.1
393.49228	0.4
396.94733	0.7
398.97794	2.8
401.00946	0.4
403.04758	21.0
404.04843	1.7
408.04791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67806	1.5
66.12077	1.6
66.32963	1.7
67.05485	1.7
69.03420	3.4
69.07072	8.0
71.04993	11.3
71.10465	4.9
72.54808	1.9
78.29891	1.6
79.05491	5.2
81.03419	2.2
81.07055	42.2
83.04967	4.0
83.06065	2.2
85.02905	14.2
95.04980	2.0
95.08620	2.0
97.02873	4.0
97.06509	3.4
99.04436	3.3
99.08066	2.2
103.03931	6.7
107.08589	7.6
109.02885	2.0
109.10155	7.5
110.07161	10.2
111.08097	1.9
111.11698	3.5
121.09985	1.7
123.11713	14.9
127.03936	7.7
127.11185	1.7
133.10147	2.7
139.11205	9.2
145.04933	4.9
151.11150	19.5
157.12274	12.3
163.06023	3.9
169.12204	18.2
187.13300	100.0
197.09236	1.9
197.41164	1.8
203.07492	2.2
205.14388	11.0
206.89233	1.7
236.04549	1.8
323.59381	1.7
338.20764	3.5
384.21292	14.7
385.15082	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	384.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35010	1.3
55.05499	10.0
56.96563	1.5
57.03434	2.7
57.07057	1.4
57.88049	1.2
59.04996	2.0
61.02935	1.6
65.03944	1.3
67.05505	47.5
69.03428	8.2
69.07074	1.7
70.06583	2.8
71.04993	1.9
71.10755	2.5
71.11098	2.5
79.05474	3.7
81.03394	3.7
81.07056	100.0
82.07399	1.9
83.08613	3.2
85.02907	21.1
85.06532	3.3
91.05476	5.9
92.05827	1.6
93.07029	2.3
95.04934	2.0
95.08580	4.9
97.02898	8.2
97.10176	2.4
105.07043	3.5
107.08595	2.0
109.02872	1.7
109.06467	1.9
109.10116	1.5
119.08527	1.4
120.08070	2.8
123.11710	99.1
124.12102	1.4
127.03915	3.0
131.05043	1.5
134.29880	1.5
137.05965	3.7
141.12740	80.6
142.13158	1.4
145.04959	2.1
152.29913	1.6
155.27505	1.3
159.12540	2.9
159.13803	47.5
163.11183	1.8
177.05453	2.7
187.13318	15.2
201.05411	4.3
205.14352	93.8
206.14600	1.8
221.08078	6.3
222.08434	13.0
305.33835	1.3
385.13022	2.3
385.18082	2.1
402.14536	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
55.05501	1.7
57.03460	3.0
58.99595	2.4
61.02921	2.7
62.92495	1.7
63.69765	1.5
69.03449	9.9
70.06611	3.2
70.84254	4.3
71.04989	2.7
73.02930	3.6
81.03416	9.4
81.07071	2.7
82.79476	1.4
83.04987	2.5
83.06107	4.0
84.08140	3.1
85.02908	67.9
85.03424	3.4
91.05488	2.3
92.17339	1.7
93.07007	2.2
95.04980	1.6
95.06093	2.4
97.02895	18.0
98.97613	1.7
99.04459	33.3
103.03946	100.0
104.04297	1.4
107.08551	2.2
109.02877	12.0
110.07170	20.4
119.04929	1.9
127.03925	95.4
145.04959	57.4
147.04457	9.9
148.00706	1.8
156.07739	3.3
163.06023	59.5
181.92111	1.5
187.06058	2.9
193.05045	1.8
205.07101	3.3
222.07918	2.3
223.09448	7.5
271.08261	5.9
289.09225	5.1
293.18646	3.7
307.10260	12.4
311.92337	1.6
318.83282	1.7
320.19708	2.6
331.14139	1.7
338.20761	12.8
349.14972	3.4
366.20261	2.1
384.21292	34.2
385.14713	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	384.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.05507	2.9
56.05034	2.4
57.03434	3.7
61.02920	3.6
67.05483	2.7
69.03428	11.2
69.07079	1.9
69.74886	3.1
69.75295	7.8
70.06587	4.7
71.04982	4.6
72.08147	3.5
73.02935	2.4
73.42593	1.5
79.05475	3.4
81.03416	13.8
81.04498	1.4
81.07055	5.7
83.04961	3.3
83.06106	12.3
85.02903	70.3
86.09718	2.5
88.55246	1.6
91.05482	5.2
93.04530	5.9
93.07056	4.1
95.06090	12.5
97.02886	16.8
98.21535	1.5
98.97530	1.8
99.03835	2.9
99.04456	37.5
103.03941	89.5
105.07034	2.4
105.40334	1.5
107.04951	2.7
107.06080	2.6
107.08604	4.4
109.02873	13.5
110.07162	59.2
111.05588	1.7
112.08743	2.7
113.02349	1.4
113.07160	1.6
115.20610	1.3
116.07116	2.5
119.04928	4.6
127.03918	94.9
135.11740	2.7
145.04958	57.6
147.04384	17.1
148.04770	1.5
148.39903	1.5
156.07707	10.1
161.05988	1.5
163.06013	62.7
164.04698	3.6
165.05482	3.1
167.07106	1.8
169.04984	1.6
169.12296	2.6
181.04852	1.9
182.44063	1.5
182.86522	1.5
187.06053	5.2
187.13304	7.1
188.84416	1.4
193.04910	1.9
205.07120	5.2
223.09407	6.1
271.08154	6.4
289.09274	6.2
293.18533	4.0
303.17426	1.6
307.10315	13.9
320.19785	4.8
338.20764	38.4
339.19196	1.6
349.14944	2.2
384.21298	100.0
385.14932	10.1
385.21747	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	384.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05501	2.3
57.03437	4.2
57.07047	1.4
61.02919	1.8
65.09755	1.1
67.05496	1.6
68.99747	1.5
69.03423	5.2
69.43201	9.4
70.06585	3.2
71.08631	67.1
72.80823	1.1
73.02911	3.6
79.05493	1.8
81.03413	3.7
82.90831	1.3
83.05013	1.2
85.02421	1.7
85.02911	22.5
86.06741	1.3
86.09695	1.8
87.00829	5.0
91.05499	2.0
93.07051	1.7
95.01353	6.4
95.04964	1.2
97.02881	5.6
98.21477	2.2
98.97614	1.6
99.08090	70.3
103.03901	1.5
105.01880	9.1
105.07074	1.2
106.14205	1.1
107.08591	2.1
109.02876	5.1
109.06518	1.1
109.10141	2.4
113.02349	3.2
117.03368	1.7
117.09115	4.8
119.08580	1.4
121.06516	2.2
127.03919	9.7
131.03407	3.2
135.04420	1.2
135.11736	1.8
136.11969	1.9
141.01816	17.1
145.02853	3.7
145.04971	3.7
145.99573	1.2
159.02898	5.7
173.11740	100.0
174.12051	1.8
177.05444	8.6
189.25389	1.2
191.12784	74.2
192.13040	1.1
211.18784	1.2
231.05034	3.3
331.13922	1.8
331.18900	1.4
349.15118	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33993	1.0
55.01882	1.2
56.96562	2.9
59.71553	1.1
65.03939	1.8
67.05502	2.5
69.03424	2.3
69.07081	1.6
69.82945	6.2
70.06606	1.4
76.15926	1.0
77.26584	1.0
79.05486	1.6
81.03374	1.3
81.07056	4.5
83.04987	2.6
85.02892	2.7
85.06532	1.5
91.05482	14.3
92.05827	3.8
95.01340	1.4
95.04967	1.8
97.02886	3.1
98.21471	2.2
98.97568	2.2
107.04980	2.3
107.08617	1.1
109.10204	1.3
111.04426	3.1
113.02385	6.3
113.28008	1.1
119.04947	22.8
120.05299	3.5
120.08104	2.1
121.02839	1.4
122.06036	4.4
123.11703	6.0
124.88718	1.0
125.02357	4.1
127.03950	1.9
131.08667	1.2
137.06042	1.2
139.03816	1.8
141.12756	4.2
143.03415	2.4
144.30324	1.4
147.04416	100.0
147.08107	3.1
148.04738	14.9
151.07555	2.0
161.01237	1.8
161.36028	1.1
164.07057	1.2
165.05493	22.2
167.03445	1.5
169.12254	1.5
171.09526	1.0
175.07497	1.3
185.04488	4.3
187.13298	5.0
192.06583	3.4
193.08600	1.8
196.06931	1.2
196.78899	1.0
201.05472	2.6
207.11304	1.5
223.06418	1.9
251.03441	1.6
265.07513	2.4
283.08530	6.1
283.11475	1.4
284.08865	4.3
288.08862	1.2
307.08685	2.5
308.08810	1.6
325.09662	1.9
326.09933	1.9
367.10999	1.3
384.16940	2.2
385.18259	2.1
396.67047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.8
55.30543	0.7
57.03444	0.8
64.23619	0.5
65.03944	0.5
69.03421	2.2
69.07059	1.2
70.06589	56.9
71.04993	5.7
72.08150	0.6
73.02891	0.8
74.01676	0.6
75.05598	1.2
81.07050	3.7
81.38915	0.7
83.04948	1.0
85.02905	2.7
89.03896	1.1
93.07020	4.1
95.04968	0.7
95.08599	1.1
97.02875	1.7
97.06513	1.4
98.97545	0.7
105.07053	2.4
107.08583	2.0
110.07186	1.5
115.03926	0.8
115.05460	0.7
116.07088	100.0
116.98592	0.7
117.03358	0.8
117.06615	2.6
117.07395	1.6
117.10275	1.5
123.11708	2.2
127.03916	1.7
133.06454	1.9
135.04414	1.8
135.11693	4.8
136.06181	7.6
145.02831	1.5
148.06120	1.4
153.12738	22.4
153.13945	1.4
161.05951	3.6
162.07753	9.1
163.03893	8.7
167.07109	0.7
169.12245	0.8
181.04955	0.9
182.99707	0.7
183.06746	0.7
187.13306	1.0
188.05690	3.4
190.96364	0.7
192.05133	4.2
193.08626	2.5
201.00728	3.4
206.06810	1.1
215.61591	0.6
219.01796	1.7
234.06174	3.3
237.02849	0.7
251.10474	14.7
252.07274	25.8
253.07530	1.0
261.07507	0.9
269.11514	8.0
306.02646	0.8
324.03671	1.2
325.07275	0.9
345.05103	0.9
351.03516	0.7
384.11447	7.2
384.16464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01878	6.9
57.03433	6.7
58.02954	6.3
61.02929	6.2
64.40200	0.9
68.99773	3.7
69.03426	39.7
69.85666	6.5
71.01360	1.0
71.04993	4.9
73.02908	6.8
81.03418	26.2
81.07036	1.6
83.01361	1.1
83.98049	1.1
85.02901	100.0
86.03194	1.4
87.00829	35.2
91.03948	1.2
91.05480	15.0
93.06982	1.2
97.02890	24.0
99.04446	12.6
101.02400	1.2
105.01861	32.3
105.02566	1.5
105.07010	1.5
107.08560	1.8
109.02879	25.3
117.01845	3.1
118.06525	4.0
119.07310	15.3
120.08107	2.0
127.03912	65.5
128.04350	1.2
129.01802	3.8
136.07570	91.8
136.11987	1.2
137.07971	1.8
145.04950	23.9
147.02866	3.5
148.12013	1.2
159.01595	0.8
159.02881	16.2
177.03877	1.2
189.03918	3.9
213.03955	1.9
231.04953	14.0
262.15222	1.6
280.16183	1.3
348.15286	1.0
363.38083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.2
55.01870	8.2
55.05503	1.2
57.03441	6.4
58.02956	7.5
59.17447	0.9
61.02933	6.9
62.51511	0.9
68.99777	2.6
69.03429	40.7
70.86028	3.0
71.04980	4.4
71.08623	1.2
73.02911	6.3
79.05474	1.9
79.34457	1.0
81.03410	23.5
81.03858	1.9
81.07071	1.5
83.04948	1.1
85.02902	100.0
85.43744	0.8
87.00827	33.9
89.96925	0.8
91.03944	2.4
91.05476	11.3
93.07032	2.3
95.08589	1.5
97.02886	22.0
99.04446	14.3
103.03961	1.3
105.01865	33.4
105.07065	1.1
106.07393	1.2
107.08548	1.4
108.08904	1.8
109.02878	28.4
109.10168	1.2
115.03936	1.4
117.01848	3.0
118.06531	3.5
119.07326	14.7
120.08075	2.6
127.03914	65.3
129.01863	3.7
135.11658	1.2
136.07573	91.4
136.12085	1.6
137.07924	1.3
145.03899	2.0
145.04953	25.2
147.02882	3.2
148.11916	1.2
151.52792	1.0
159.02896	17.1
173.11752	1.7
174.10162	0.9
177.04080	1.1
189.03929	3.1
191.12654	1.0
197.38475	0.9
213.03943	2.6
231.04985	14.7
243.59848	0.9
244.14105	1.8
262.15271	1.8
280.16232	1.2
366.16034	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03939	3.5
55.05513	11.6
57.07074	7.2
59.04998	4.1
65.03960	2.5
67.05505	19.5
68.87592	2.1
69.03439	13.7
69.07063	5.8
70.74004	5.1
71.04977	5.9
79.05493	21.2
81.07052	25.2
82.47693	2.4
83.04993	6.7
83.08609	3.9
85.06553	3.4
86.21326	2.4
91.05482	36.1
91.47900	2.5
93.07047	77.6
94.07410	2.6
95.04976	24.9
95.08604	32.4
97.06535	11.1
105.07032	62.8
107.08598	35.0
108.05764	2.8
109.06524	25.6
109.10160	16.0
111.08063	10.2
113.09612	2.6
117.07000	10.1
119.08578	54.9
121.06519	10.2
121.10152	36.7
123.08084	26.6
128.06224	10.1
129.06989	10.2
130.07794	5.8
131.08583	28.2
133.06517	6.6
133.10133	28.7
135.08058	20.4
135.11743	5.9
137.05972	4.7
137.09604	10.6
141.06966	6.3
142.07773	18.4
143.08591	22.9
144.09326	4.2
145.06461	2.8
145.10117	38.2
147.08037	16.5
147.11684	13.3
149.09610	24.8
151.07553	36.4
153.09090	4.4
155.08513	5.4
156.09370	8.9
157.10130	40.1
159.08063	9.7
159.11681	16.2
161.09618	17.1
161.13290	6.6
163.11174	7.7
165.09116	30.3
169.10178	4.8
170.10887	7.4
171.11758	4.5
173.09596	9.5
173.13301	6.8
175.11174	23.9
175.14842	8.5
177.09116	9.7
177.12767	2.7
178.09929	3.4
179.08568	3.2
181.10141	3.3
183.11691	4.9
185.09627	4.2
185.13258	20.8
187.11186	4.9
189.12729	12.2
191.14311	5.0
195.11755	4.9
196.12396	3.0
197.09642	3.3
197.13252	9.0
199.11221	3.9
199.14711	2.9
201.12788	8.6
203.14301	27.4
207.12004	3.7
207.13777	14.5
209.13371	4.4
209.15340	7.0
211.14790	4.5
215.14343	7.7
217.12271	2.9
219.13756	5.0
221.15361	77.8
225.12730	4.0
227.14348	6.9
227.57213	2.5
231.13754	4.4
233.15434	5.8
234.16135	9.9
263.18051	3.0
271.16861	3.2
281.19138	2.8
281.93048	2.6
286.19363	3.2
287.20117	10.6
299.20105	3.7
303.19571	7.4
309.18765	3.8
347.23508	2.7
365.24988	13.4
377.03851	2.8
383.25818	100.0
384.26038	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	383.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05515	10.4
67.05530	0.2
69.92966	1.2
81.07065	0.5
83.04986	100.0
84.05303	1.4
93.07059	0.4
95.08604	0.5
95.70769	0.2
98.21447	0.3
100.18086	0.3
105.07078	0.4
109.10127	0.6
111.08122	0.4
119.08585	0.7
121.10184	0.3
122.86707	0.3
133.10139	0.7
147.08060	0.3
157.10211	0.2
180.59772	0.3
271.15692	0.3
294.50027	0.3
294.77017	0.3
299.20050	0.5
301.21729	0.5
309.18463	0.6
327.19662	0.9
365.24652	0.4
383.20947	0.4
383.25818	6.2
383.30536	0.4
384.26318	0.5
401.40823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03937	6.1
55.05507	13.3
57.07056	10.1
57.44946	2.6
59.04983	5.3
64.30058	2.8
67.05511	23.9
69.03419	14.8
69.07061	8.3
71.04997	3.6
71.50142	3.8
79.05489	27.2
81.03432	3.4
81.07059	35.4
83.04972	8.4
83.08611	5.8
85.06546	6.2
91.05484	46.1
93.07043	92.3
95.04966	31.5
95.08611	38.9
96.46261	2.6
97.06520	17.9
97.74970	3.1
103.05490	4.4
105.07031	79.5
107.04966	3.8
107.08593	48.8
109.06503	23.1
109.10168	19.0
111.08069	7.3
111.77369	2.5
117.07004	9.9
119.08573	54.5
120.09399	3.1
121.06507	12.9
121.10147	44.7
123.08067	26.0
123.11658	4.0
125.09653	4.1
128.06253	7.4
129.07005	10.8
130.07822	3.4
131.08565	28.8
133.06517	6.2
133.10146	32.6
135.08084	21.6
135.11684	4.6
137.05997	3.5
137.09631	9.5
141.06938	3.5
142.07774	20.9
143.08553	25.7
144.09325	8.0
144.27817	2.5
145.06429	4.1
145.10127	42.7
146.07227	4.1
147.08066	25.3
147.11661	15.1
148.08850	3.8
149.09624	22.9
151.07541	32.2
153.09109	2.8
155.08589	8.1
155.10564	3.1
155.80157	2.7
156.09381	7.2
157.10121	43.1
159.08055	7.9
159.11656	18.6
161.09595	19.8
161.13280	7.7
163.11188	10.3
165.09116	31.2
169.10210	6.9
170.10962	3.4
171.11682	14.3
173.09631	10.4
173.13338	9.1
174.10342	4.2
175.11192	23.4
175.14835	9.0
177.09151	7.7
179.08476	3.5
181.10106	4.7
183.11662	6.4
185.13258	20.2
187.11174	6.3
187.14827	4.2
189.12733	10.9
195.11722	3.8
197.13266	7.7
199.11200	5.1
201.12756	10.8
203.14319	28.9
207.11909	3.1
207.13823	11.7
209.13235	5.8
209.15381	6.8
211.14819	5.5
213.12735	4.4
215.14352	9.3
219.13821	5.2
221.13338	2.6
221.15364	72.5
223.14894	4.8
225.12746	4.2
225.16292	2.7
227.14330	7.5
233.15402	5.4
234.16199	12.5
247.16838	4.5
253.15771	2.9
281.19174	5.5
286.19324	6.0
287.20117	9.5
299.20187	5.9
303.19617	8.2
327.19473	2.5
365.24823	16.7
383.25845	100.0
384.26218	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
53.39958	3.3
55.05509	71.5
56.07607	3.4
57.07060	11.9
59.04999	5.9
63.81265	3.6
67.05180	4.0
67.05508	66.2
69.03424	11.1
69.07065	41.0
71.04990	8.0
71.59016	4.4
71.59423	4.8
79.05495	34.1
81.03407	5.3
81.07053	66.6
83.04977	100.0
83.08611	17.5
85.06530	5.9
90.73180	4.2
91.05475	50.7
91.06338	4.1
93.07041	70.7
95.04967	26.6
95.08605	74.9
97.06519	14.7
97.10168	7.4
103.05456	50.6
105.07024	64.6
107.08581	58.5
109.06541	17.5
109.10149	71.5
111.08072	5.8
115.05450	16.0
117.07001	10.2
119.04925	8.8
119.08574	55.0
121.06496	13.1
121.10138	65.1
123.04400	15.2
123.08072	48.8
123.11687	20.5
128.06232	6.5
129.06992	19.6
131.04927	54.3
131.08566	32.3
133.06487	10.8
133.10120	38.3
133.57426	3.6
135.08037	13.3
135.11705	21.0
137.06015	11.1
137.09627	8.2
137.13269	5.4
140.44038	3.6
140.45116	4.1
141.06999	8.9
142.07809	6.9
143.04913	13.3
143.08517	24.2
144.09348	6.6
145.06470	7.1
145.10114	39.9
146.07190	4.1
146.10443	4.7
147.04404	50.2
147.08006	8.6
147.11676	29.2
149.05934	24.3
149.09618	30.5
149.13213	18.7
151.07536	15.6
151.11240	4.7
151.14806	6.4
153.06921	7.8
155.08505	6.6
155.10609	4.0
156.09378	7.7
157.06396	7.3
157.10124	27.1
158.10936	5.4
159.04396	7.1
159.08067	8.5
159.11700	20.8
161.05994	24.7
161.09598	16.1
161.13205	11.2
163.07491	4.3
163.11182	3.8
163.14828	7.1
165.05470	38.5
165.06873	8.8
165.09091	11.2
167.08575	14.4
167.10657	4.8
169.10149	9.2
171.11658	17.2
173.05978	34.4
173.09709	4.3
173.11789	7.2
173.13329	12.0
175.03999	9.5
175.07611	7.4
175.11153	8.9
175.14822	10.4
177.05399	12.8
177.09100	12.4
177.16394	56.0
178.16631	4.0
179.08510	5.5
181.06509	13.6
181.10033	4.1
183.08046	5.6
183.11713	6.7
185.05910	6.5
185.13309	10.9
187.03905	4.9
187.07524	12.1
187.14847	11.6
189.05490	5.3
189.09137	5.5
189.12691	6.4
189.16360	15.1
193.04962	32.8
193.06470	7.8
193.10147	6.0
194.10854	4.3
195.06470	8.4
195.08067	13.5
197.09499	5.9
197.13165	8.3
199.07481	12.6
199.14851	6.6
201.09109	7.1
201.12770	6.4
201.16357	10.5
203.14276	12.1
203.17950	11.4
205.04967	5.0
207.11865	7.8
207.13870	6.2
207.17458	54.6
208.17862	6.0
209.09529	9.5
209.13237	7.2
211.07513	11.2
211.14905	6.8
213.05411	12.0
213.09103	12.6
213.12775	7.5
215.10657	4.7
215.14314	10.0
217.04950	54.1
219.06441	14.0
219.13727	6.4
221.09538	10.0
221.15350	21.4
223.14662	4.3
225.08998	9.9
227.06987	5.1
227.14334	14.3
231.06491	48.9
233.08037	6.2
234.16156	15.3
237.16386	4.6
239.10629	11.3
245.07899	5.8
249.12695	4.1
253.12222	9.4
259.09634	13.7
267.13821	8.9
281.12021	4.8
281.15375	10.5
283.17188	4.5
283.20547	12.7
285.18515	6.0
299.12735	12.8
309.14764	4.4
323.20068	17.4
327.15808	6.6
337.21597	28.0
338.21866	4.9
351.12317	4.8
365.21063	31.2
365.24857	10.8
383.22073	26.6
383.26318	53.3
384.22391	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	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	42.6
67.05492	3.7
69.03407	1.7
69.07052	2.5
71.58141	2.5
75.83835	1.5
79.05500	1.9
80.01410	1.4
81.07046	3.5
81.94534	1.4
83.04980	100.0
83.08600	2.1
84.05288	1.6
89.23739	1.5
91.05453	2.1
93.07027	1.9
95.08596	5.8
105.07012	1.7
107.08591	2.9
109.10137	4.5
119.08573	6.7
121.10096	1.7
123.08072	1.4
123.11668	2.4
131.08516	2.2
133.10081	1.8
133.33012	1.6
145.10049	3.3
155.08548	1.8
157.10097	4.9
159.11676	4.5
171.11659	3.4
173.13289	3.3
183.11620	2.2
185.13245	5.4
187.14865	2.8
195.11687	2.6
199.14850	2.7
209.13385	1.8
213.12819	2.3
223.14667	1.6
225.16345	2.6
227.14261	2.6
227.17599	1.5
241.19394	1.7
255.17459	6.4
255.21132	9.7
265.19553	2.0
283.20535	17.2
365.24792	1.7
383.25793	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	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.05510	47.3
67.05509	5.4
69.07071	2.5
79.05495	1.8
81.07059	4.5
83.04979	100.0
83.08612	1.2
84.05287	1.2
88.82961	0.9
91.05489	2.4
93.07059	3.5
95.04979	1.8
95.08599	5.6
97.06569	1.2
105.07024	5.7
107.08604	3.0
107.52808	0.9
109.10148	4.8
117.07046	1.4
119.08566	6.5
121.10152	2.8
123.08092	1.8
123.11719	1.8
129.06992	1.0
131.08562	2.6
133.10092	2.2
135.08078	1.3
135.11658	1.4
143.08551	3.4
145.10092	5.1
147.11690	3.8
149.09642	1.3
155.08546	2.1
156.09319	1.5
157.10117	6.1
157.50597	0.9
159.11723	4.7
161.09625	0.9
161.13255	2.5
167.08554	1.5
169.10106	2.2
171.11674	5.3
172.12468	1.5
173.09639	1.4
173.13280	2.3
183.11694	2.2
185.13235	5.9
187.14801	2.6
195.11635	1.8
199.11142	2.0
199.14851	3.3
209.13313	2.4
211.14801	1.2
213.12715	2.4
213.16353	1.4
223.14777	1.8
225.16473	1.5
227.14398	1.9
227.18025	1.2
229.41583	0.8
229.43913	0.9
239.17909	1.1
241.15543	1.0
241.19580	1.3
255.17511	3.7
255.21104	9.0
265.19501	2.7
283.20560	18.2
285.18503	2.9
301.21402	2.0
314.29874	0.8
320.96457	0.8
365.24890	2.1
383.25931	8.0
383.30106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
55.01846	3.3
55.05501	12.2
57.07068	10.0
59.05004	7.5
67.05221	2.7
67.05511	26.2
69.03426	15.6
69.07052	9.8
70.02805	3.0
71.04984	6.8
71.61144	5.8
78.89811	2.4
79.05489	28.4
81.07053	41.9
83.04977	11.4
83.08601	3.6
85.06525	3.7
91.05476	35.6
92.05820	2.6
93.07047	88.9
95.04962	25.3
95.08613	42.5
97.06538	9.3
103.05543	3.1
105.07024	63.2
107.08591	34.7
109.06503	22.0
109.10170	20.5
111.08086	8.9
117.07018	10.1
119.08572	50.6
121.06504	11.9
121.10144	43.5
123.08041	29.6
123.11727	3.1
128.06219	5.2
129.06985	9.0
131.08568	26.7
133.06517	6.4
133.10132	26.5
135.08029	18.0
135.11679	8.0
137.05946	4.7
137.09622	8.2
141.06993	4.6
142.07822	17.1
143.08546	16.5
144.09346	5.4
145.06479	3.9
145.10121	34.4
147.08040	21.3
147.11676	17.2
148.08783	2.9
149.09604	26.0
149.13261	8.8
151.07524	32.6
153.09103	4.9
155.08566	6.1
156.09303	4.8
157.10152	29.1
159.11661	17.0
161.09610	16.8
161.13298	10.0
163.11176	5.1
163.14825	5.9
165.09103	33.4
169.10085	8.1
170.10886	5.4
171.11705	6.5
173.09641	8.2
173.13289	6.3
175.11194	16.5
175.14859	6.6
177.09155	9.9
180.09222	2.9
183.11716	5.8
184.67477	2.8
185.13217	15.2
187.14766	3.7
189.12753	7.8
197.13190	3.9
201.12671	4.4
203.14281	24.1
207.13821	9.1
209.13278	5.3
215.14299	8.0
219.13847	4.1
221.13364	4.0
221.15359	99.5
225.91107	2.7
227.14452	6.3
231.13678	3.3
233.15488	6.3
234.16165	11.2
237.14761	3.6
239.14180	3.2
269.12558	5.0
281.19064	5.6
286.19321	3.5
287.20169	7.4
299.20181	7.4
303.19559	11.1
305.35339	3.0
309.18607	4.0
347.96683	3.1
365.24670	14.3
383.25848	100.0
384.25754	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	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.05300	3.1
55.05510	32.7
57.07068	11.2
59.04988	8.0
65.03914	4.2
67.05508	37.0
69.03414	12.2
69.07068	9.7
70.28484	2.7
71.04999	6.2
71.59509	5.2
78.48228	2.7
79.05505	24.2
81.07065	31.3
83.04987	46.8
83.08615	5.2
85.06541	4.4
89.13258	2.5
90.80208	2.7
91.05481	44.7
93.07045	84.9
95.04968	28.3
95.08611	41.7
97.06532	14.0
102.80783	3.0
103.05463	3.5
105.07031	66.6
107.04939	4.9
107.08601	39.6
109.06512	24.8
109.10140	28.5
111.08092	7.9
115.05464	6.5
117.07030	11.0
119.08584	53.2
121.06490	15.2
121.10144	39.7
123.08066	28.1
128.06226	7.0
129.06993	9.4
130.07785	4.8
131.08569	26.7
133.06494	8.0
133.10121	28.7
135.08040	23.2
137.05978	5.4
137.09610	10.0
142.07791	17.1
143.08572	19.6
144.09239	3.7
145.10112	35.5
147.08072	24.5
147.11703	15.5
149.09624	21.7
151.07559	39.5
155.08553	8.3
156.09349	12.3
157.10136	38.7
158.10782	2.6
159.08089	8.8
159.11716	21.4
160.08862	3.3
161.09602	21.8
161.13232	6.7
162.03117	2.8
162.04430	2.7
163.11206	10.2
165.09100	37.7
167.08575	3.4
169.10168	9.2
170.10907	6.9
171.11688	10.7
173.09619	7.9
173.13231	6.9
175.11188	17.0
175.14813	6.6
177.09134	9.0
179.10716	6.8
181.12169	4.0
183.11681	8.4
185.13280	19.5
187.11223	6.7
187.14842	9.0
189.12790	7.7
195.11678	5.7
195.28954	2.8
197.13289	7.4
199.11252	2.8
199.14703	3.8
201.12723	6.0
203.14334	27.4
207.13849	7.9
209.13281	6.3
209.15395	5.0
213.12836	7.0
215.14333	5.5
221.15366	81.3
222.15837	4.0
223.14729	3.7
227.14304	4.2
229.12500	4.1
233.15428	8.5
234.16289	5.6
255.17326	3.5
281.19177	4.8
283.20590	10.4
286.19165	4.3
287.20074	9.6
299.19940	3.9
303.19504	9.8
347.23807	4.8
365.24710	15.1
383.21039	7.1
383.25806	100.0
384.26288	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23697	2.7
53.03940	4.4
55.01869	9.4
55.05508	11.1
57.03427	8.0
61.02921	9.8
67.05507	25.0
69.03432	23.5
69.07071	8.3
71.01349	8.3
71.04982	3.6
71.60580	3.6
73.02910	6.2
79.05489	24.9
81.03431	17.5
81.07059	51.8
83.04984	18.8
85.02915	32.3
85.06538	3.6
85.22226	2.8
87.05418	3.0
91.05491	20.5
93.07054	45.5
95.04990	20.2
95.08606	65.7
97.02906	25.9
97.06529	23.9
97.10168	9.9
99.04444	6.8
101.02369	4.2
103.03947	12.8
103.05482	3.7
105.07036	46.3
107.04989	5.1
107.08591	33.3
109.06536	24.1
109.10159	26.9
111.04440	11.1
116.79578	2.7
117.07066	6.7
119.08589	35.5
121.06553	21.0
121.10163	41.2
123.04460	4.4
123.08084	9.4
123.11693	6.5
125.05988	7.8
127.03908	7.4
129.07045	4.3
131.04988	3.0
131.08586	14.8
133.05011	4.2
133.06525	9.4
133.10118	28.2
135.08089	6.5
135.11693	12.9
137.06010	5.9
139.07581	6.2
141.05499	3.4
143.08565	8.6
143.20815	3.4
145.04941	3.4
145.06451	3.8
145.10135	26.5
147.08057	4.6
147.11681	23.5
149.09663	5.5
149.13248	16.5
151.07579	27.2
151.48917	2.6
155.08685	3.3
156.09401	4.1
157.10153	21.0
159.08012	5.4
159.11694	23.5
161.09637	7.2
161.13281	17.9
163.11252	6.5
163.14836	4.9
167.07109	5.2
169.08629	16.5
169.10132	8.7
171.11678	12.9
173.09576	4.5
173.13329	10.0
175.07541	4.7
175.11244	2.9
175.14731	4.4
177.05528	5.4
177.16348	11.2
179.14369	5.7
183.11636	5.2
185.08078	5.7
185.13272	6.5
187.09633	3.6
187.11165	4.8
187.14835	13.4
189.16386	100.0
197.13365	5.4
199.11226	3.9
199.14853	4.0
201.16457	11.5
203.09109	6.0
203.14293	3.9
203.17972	16.2
205.12259	3.4
205.15923	8.7
207.17442	3.7
213.05322	3.6
213.16417	42.2
215.17981	40.4
217.12209	8.3
217.19450	8.4
221.15379	5.0
225.16289	8.5
227.17992	19.8
229.19553	3.4
231.17366	6.5
233.19063	7.7
237.16502	4.2
239.17982	6.4
243.17499	4.9
245.19083	11.4
249.18713	3.4
251.17979	3.5
257.18985	8.0
269.19067	20.0
275.20062	6.3
281.18872	4.4
287.20026	10.4
293.18884	4.2
299.20108	15.5
311.20099	16.2
329.21075	32.5
347.22174	31.0
365.23276	20.4
383.16928	4.3
383.24390	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.9
53.33459	4.4
55.01860	16.1
55.05495	20.9
57.03433	12.3
57.07059	4.7
61.02922	12.6
67.05509	39.9
69.03434	57.1
69.07067	28.3
69.64976	34.2
71.01368	6.0
71.04986	49.1
73.02898	14.1
73.06547	6.4
79.05492	32.2
81.03432	23.6
81.07065	100.0
83.04973	12.8
83.08637	8.5
84.04515	6.7
85.02901	62.9
85.06537	7.8
87.04459	5.2
91.05477	45.6
93.07053	87.0
95.04996	29.0
95.08607	88.8
97.02875	20.1
97.06535	21.7
97.10166	7.5
99.04443	9.6
99.08084	8.1
103.03927	14.9
105.07039	82.2
107.04923	10.2
107.08586	73.6
109.02839	5.1
109.06520	13.3
109.10162	66.9
111.04421	14.0
111.08091	7.7
115.03923	11.7
117.07017	17.4
119.07789	7.7
119.08582	92.0
121.06490	13.2
121.10155	71.1
121.83304	5.5
123.08070	16.8
123.11721	42.6
125.09617	18.0
127.03922	11.1
127.11216	31.9
127.54543	4.8
128.06212	5.8
129.05498	8.0
129.07019	14.0
131.08575	38.0
133.04936	13.7
133.06505	10.0
133.10127	65.5
135.08063	12.6
135.11707	51.3
137.05966	21.5
137.09576	24.9
137.13313	9.4
139.07506	7.4
142.07768	10.1
143.08571	27.8
145.10124	55.6
147.04494	7.2
147.08049	8.9
147.11693	63.7
149.09653	7.9
149.13251	17.8
151.07507	7.9
151.11179	14.4
153.12735	11.9
155.08578	6.1
157.10144	36.5
159.08043	7.0
159.11687	57.0
161.06007	11.6
161.09624	11.8
161.13249	30.0
163.07487	6.7
163.11162	14.0
165.12720	6.8
169.10117	20.5
171.10379	6.8
171.11714	36.5
173.09613	5.5
173.13290	24.8
175.11198	16.2
175.14844	14.8
177.05362	4.7
177.09129	6.8
177.12727	12.8
177.16327	8.8
183.11702	14.0
185.09671	7.2
185.13286	13.3
187.14833	15.9
189.12753	14.6
189.16374	16.9
191.14113	5.8
193.15868	5.2
195.11688	9.5
197.13248	7.3
199.11331	6.4
199.14903	9.6
201.12779	17.5
201.16379	18.6
203.17955	51.0
205.06660	6.4
205.30421	5.5
211.15030	5.1
215.17908	16.5
219.17444	12.6
221.18994	20.5
225.12897	8.0
227.17863	10.7
231.07898	7.3
231.17426	8.9
233.18994	32.5
243.13739	10.8
243.17459	9.3
245.18980	23.2
257.18790	7.0
259.16983	9.5
261.14883	11.8
263.20056	11.3
269.19031	5.2
287.20062	10.6
291.10193	15.7
293.08060	5.9
299.20084	5.5
311.20111	13.0
323.12909	12.2
329.21027	21.7
347.22290	26.6
365.23160	31.1
383.14938	21.5
383.24365	47.2
401.66919	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01859	4.6
55.05510	7.7
57.03442	4.4
57.07062	2.3
59.05008	1.0
67.05505	30.8
69.07064	8.4
71.04995	1.6
71.59345	1.7
79.05487	6.1
81.07058	32.2
83.04980	4.6
83.08622	4.3
85.06525	1.0
86.09710	1.0
91.05465	6.0
93.07041	7.8
95.04954	1.6
95.08602	11.3
97.06536	3.4
98.40525	1.1
103.05470	2.6
105.07024	8.4
107.08599	9.8
109.06519	10.1
109.10154	23.0
111.04436	17.3
111.08060	2.8
117.06940	1.5
119.08562	6.8
121.06379	0.9
121.10165	5.4
123.08080	3.7
123.11694	2.8
125.05997	6.8
125.09619	1.1
131.04929	1.3
131.08542	2.7
133.10121	7.9
135.08063	3.4
135.11687	4.5
137.05975	100.0
137.09546	2.3
137.13242	2.1
143.04948	1.5
143.08554	2.3
145.10146	2.7
147.04413	2.3
147.11690	8.7
149.06009	1.9
149.09618	4.4
149.13260	3.2
151.07524	3.7
151.11177	1.3
155.10612	1.5
157.10159	3.3
159.11743	1.4
160.50847	0.8
161.09618	4.6
161.13254	3.4
163.11220	2.8
163.14825	1.9
165.05539	1.0
165.09099	1.7
173.06059	2.9
173.11768	5.0
173.13162	1.3
175.11211	3.5
175.14799	1.4
177.09215	1.1
177.16417	2.9
179.10614	2.3
181.12270	1.3
185.13293	1.3
187.14778	1.4
189.12852	1.8
189.16400	1.3
193.05003	2.5
193.12186	1.4
195.11684	1.1
203.17987	7.1
204.18689	1.3
207.17397	1.8
211.07486	0.9
213.16402	2.5
217.04996	3.2
221.19000	2.1
223.14862	1.7
231.06503	2.2
231.17418	9.2
241.15836	2.4
249.18492	12.1
277.17990	66.0
278.18411	1.1
291.10376	1.0
295.19043	28.2
351.21658	5.6
365.21121	3.9
379.01736	1.0
383.14462	1.3
383.24332	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2216
Annotation	5'S-Hydroxyumbelliprenin
Peak:m/z	Relative Intensity
55.05513	66.3
57.07061	10.9
59.05009	6.5
67.05173	8.0
67.05502	95.3
68.99786	5.2
69.07064	40.8
69.33587	12.1
69.33990	39.3
71.04984	5.7
79.05486	26.4
81.07059	79.5
83.04976	89.7
83.08636	25.3
91.05496	35.0
93.03043	4.3
93.07032	49.8
95.04971	12.5
95.08603	100.0
97.06550	6.9
97.10169	11.8
103.05473	65.0
105.07024	39.7
107.08598	65.4
109.06527	11.3
109.10154	86.2
111.11777	5.1
113.88085	4.7
115.05444	13.6
117.07008	12.5
119.04932	7.4
119.08574	43.3
121.10139	43.2
123.04420	24.0
123.08062	51.9
123.11669	35.0
129.06979	12.7
131.04919	79.7
131.08559	19.0
133.10132	33.9
135.11687	21.8
137.05942	16.0
137.09596	8.6
137.13263	10.7
141.07036	6.8
143.04942	22.5
143.08542	9.3
145.06424	7.9
145.10114	26.5
147.04408	72.8
147.11684	27.1
149.05969	33.8
149.13264	16.0
151.11208	7.9
153.07005	7.7
157.06512	11.2
157.10094	7.3
159.04395	11.0
159.08105	5.4
159.11674	9.6
161.05966	30.3
161.13268	12.7
163.03949	7.7
163.14870	9.1
165.05522	43.4
165.06909	8.9
167.08537	16.3
171.11661	5.3
173.05997	44.5
173.11739	17.2
173.13249	10.6
175.03847	6.5
175.07564	5.0
175.14818	9.8
177.05455	11.2
177.16371	65.4
181.06488	23.7
183.11696	5.6
185.05957	9.1
185.13197	4.2
187.03854	9.6
187.07498	19.9
187.14758	13.5
189.16360	17.6
193.04980	44.9
193.06529	6.9
193.10152	7.8
195.06491	6.3
195.08057	22.5
195.11740	7.0
197.06084	8.0
199.07529	20.9
201.16356	15.0
203.17963	23.1
205.04968	10.7
207.08104	10.4
207.11630	7.1
207.17429	83.8
211.07515	13.1
213.05402	8.4
213.09081	18.3
215.07056	4.9
217.04939	78.4
219.06508	16.6
221.09599	11.7
225.09109	11.9
227.06821	6.2
227.10788	5.7
231.06520	67.4
235.11221	9.2
239.10590	9.6
245.08081	14.8
253.12230	22.5
259.09665	14.5
267.13779	12.8
281.15387	10.5
283.20496	8.0
285.18356	8.8
291.10052	7.0
295.16650	4.7
299.12735	17.9
305.18863	6.5
323.12640	6.1
323.19839	28.1
327.15884	11.2
337.21579	39.7
337.65848	5.2
347.20255	8.1
365.21011	48.7
383.21722	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01861	7.5
55.05510	7.1
57.03431	6.3
61.02904	2.7
62.08715	1.8
67.05517	11.9
68.99796	3.3
69.03432	33.1
69.07066	3.5
71.01357	1.9
71.04987	6.0
71.59887	2.4
73.02908	2.0
79.05501	20.5
81.03429	16.1
81.07065	30.5
83.04997	8.8
83.08633	1.8
84.04504	2.0
85.02905	26.6
85.06533	2.5
85.40372	1.7
87.00824	12.0
91.05482	25.1
93.07049	90.1
95.04971	12.6
95.08617	24.1
97.02898	20.4
97.06519	6.0
99.04468	4.7
100.11259	3.6
103.03953	2.8
105.01871	5.2
105.07037	47.2
107.04951	5.9
107.08597	100.0
109.02876	5.4
109.06512	7.2
109.10170	10.8
111.04446	14.2
111.08073	2.5
115.03957	3.1
115.05523	2.8
117.06992	6.1
119.04903	2.3
119.08601	24.6
121.06526	8.8
121.10146	12.0
123.04398	2.3
123.08095	6.6
123.11724	4.1
125.05996	4.4
125.09663	1.8
127.03889	9.8
128.06166	2.9
129.01843	2.7
129.07004	5.7
131.04939	2.1
131.08600	16.1
133.06496	5.0
133.10138	17.4
135.08080	8.0
135.11700	38.3
137.05998	4.9
137.09612	3.1
137.13205	2.1
141.06981	2.7
142.07774	4.2
143.08548	8.1
144.09099	2.0
145.06464	5.1
145.10149	18.8
147.08063	3.0
147.11687	24.8
149.05957	4.2
149.09644	3.9
149.13237	5.5
151.07494	3.0
151.11186	5.7
153.05516	1.8
155.08536	4.4
157.10136	10.9
159.02826	3.1
159.08047	4.2
159.11687	9.8
161.09630	3.3
161.13310	3.5
163.11183	27.7
165.12770	24.0
167.07056	4.4
167.08458	2.4
169.10110	4.2
171.02921	2.0
171.11685	5.2
172.20717	1.8
173.09593	4.6
173.13243	3.7
175.11131	10.5
177.05533	1.8
177.12746	8.2
179.10693	2.9
181.10167	2.6
182.10936	2.3
183.08069	1.8
183.11699	4.2
185.09644	4.6
185.13298	1.9
187.07465	2.7
187.11186	5.2
189.03931	2.2
189.12773	5.8
193.12238	8.4
197.13232	3.8
201.04031	5.9
201.12762	8.6
203.10692	3.7
203.17944	3.5
205.12221	4.2
207.11769	2.2
213.12741	3.7
215.14326	7.2
219.13821	4.6
225.12726	7.4
231.13843	5.4
233.15419	5.2
243.13805	34.3
261.14865	65.0
271.08170	3.4
279.15805	12.0
321.16974	7.0
329.50272	2.1
347.14914	24.3
365.16019	29.0
383.17297	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13055	2.1
53.03944	9.7
55.01876	12.8
55.05521	12.9
56.05038	5.0
57.03433	10.9
59.04982	3.2
59.86553	2.2
61.01155	5.9
61.02924	5.4
65.03954	4.3
66.93464	2.0
67.05508	25.3
68.99792	7.9
69.03081	4.1
69.03431	62.0
69.07063	8.7
70.06602	3.2
70.14536	8.9
71.01362	4.3
71.04991	10.4
71.76894	2.3
72.08165	4.0
72.57759	2.3
73.01529	2.4
73.02920	4.0
79.05492	31.4
81.02977	4.6
81.03422	54.2
81.07055	56.2
83.01340	3.0
83.04974	16.5
84.08170	2.5
85.02908	52.8
86.09719	3.4
87.00838	21.7
91.03989	2.4
91.05479	36.2
93.07044	100.0
93.07632	4.9
95.04970	27.7
95.08596	24.2
97.02889	37.2
97.06538	6.7
99.04441	18.1
103.03957	7.3
104.05325	11.3
105.01862	9.8
105.07034	76.9
107.04948	7.7
107.08601	91.9
109.02877	23.1
109.06532	18.2
109.10178	20.7
111.04444	14.9
113.05996	3.9
115.03917	14.8
115.05469	2.9
117.07013	9.7
119.08582	46.5
120.08094	7.1
121.06499	11.0
121.10146	42.3
123.04430	25.6
123.08068	5.8
123.11703	7.8
125.05995	7.2
127.03932	25.9
128.06198	4.2
129.01854	6.5
129.05476	5.0
129.07030	5.2
131.08578	20.4
133.06477	5.2
133.09116	3.4
133.10129	53.9
135.04449	2.9
135.08083	7.7
135.11690	69.2
137.05988	4.6
137.09674	5.4
137.13274	3.9
139.40462	2.9
140.36954	2.4
141.05453	4.4
141.07085	2.7
142.07764	4.0
143.08563	12.4
145.04968	4.6
145.06459	7.1
145.10100	25.3
147.02913	4.6
147.08026	7.1
147.11696	31.1
149.06042	6.1
149.09546	3.5
149.13263	5.9
151.11171	7.5
153.12692	4.3
154.07820	2.5
155.08580	8.3
156.09335	3.7
157.10153	12.1
159.02893	4.8
159.08086	7.4
159.11711	20.5
161.09634	8.4
161.13293	6.0
163.03932	3.1
163.07581	2.7
163.11168	20.1
165.12767	17.0
167.07095	4.8
169.10146	5.7
171.03008	2.6
171.08134	2.8
171.11722	6.3
173.09618	7.3
173.13313	3.7
175.07574	4.4
175.11194	13.1
177.12761	14.6
183.11723	5.2
185.09653	3.3
187.11197	6.4
189.03960	9.9
189.12782	7.9
193.12210	9.9
195.11829	2.9
197.13275	9.8
201.04016	6.0
201.09111	3.3
201.12723	11.3
205.12206	5.1
207.11804	2.7
207.13693	3.7
213.12732	6.7
215.14314	9.0
219.13751	14.0
225.12750	7.2
231.04977	14.9
231.13887	5.1
233.15443	4.5
243.13773	30.6
261.14896	42.2
279.15891	9.0
347.14951	14.0
365.16022	23.8
383.17050	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	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21396	3.3
52.73284	2.9
53.03950	7.8
55.01879	15.5
55.05501	13.6
57.03431	15.0
59.04995	6.5
60.12946	2.8
61.02924	9.9
65.03948	4.9
67.05499	20.1
68.99800	8.1
69.03078	6.5
69.03424	83.1
69.07058	16.1
69.50039	28.5
70.06583	5.3
71.01344	7.8
71.04991	62.0
73.02914	7.0
79.05494	26.5
81.03416	37.9
81.07053	41.4
83.04972	16.6
85.02908	68.1
85.06522	3.9
87.00820	19.6
87.04472	6.9
91.04897	5.2
91.05476	100.0
93.07039	54.0
95.04961	22.9
95.08620	19.3
97.02893	39.1
97.06510	8.1
98.20821	7.0
99.04456	11.8
99.08089	7.9
103.03941	6.5
103.05482	6.3
105.01870	10.3
105.07029	85.4
107.04965	16.6
107.08583	60.5
109.02888	15.4
109.06524	18.7
109.10144	26.3
110.51266	4.2
111.04447	10.2
113.02351	7.4
115.03913	10.7
115.05441	5.0
117.01846	4.7
117.07033	22.8
119.04932	12.2
119.08561	43.1
119.33730	3.4
121.06483	32.7
121.10143	26.3
123.04429	16.2
123.08054	22.9
123.11709	14.2
125.05914	4.1
127.03915	14.9
128.06229	12.5
129.01839	6.7
129.07004	14.1
130.07773	11.5
131.04951	4.3
131.08540	21.8
133.06476	13.7
133.10130	23.1
135.04413	3.1
135.08080	15.8
135.11722	31.6
137.05989	14.6
137.09610	12.6
137.13251	5.8
141.12686	4.3
143.08543	19.0
144.09271	3.7
145.04967	4.6
145.06465	12.3
145.10132	48.6
147.04404	16.1
147.08020	25.5
147.11638	18.1
148.04721	4.3
149.06029	6.0
149.09625	16.0
149.13275	6.2
151.07515	8.5
151.11197	17.0
155.08545	16.3
156.09291	4.1
157.06503	7.4
157.10062	4.0
159.02911	8.7
159.08075	9.2
159.11746	17.7
161.09637	10.3
161.13190	6.5
162.10324	3.1
163.03831	5.0
163.11116	17.1
165.12718	19.2
167.10649	4.1
171.02806	5.0
171.08061	11.3
171.11728	4.4
173.09608	49.8
173.13303	8.0
175.07512	24.9
175.11218	15.8
177.12759	30.8
179.14305	4.4
183.11848	3.4
187.11320	6.5
189.03935	9.7
189.09129	8.0
189.11055	2.8
189.12762	12.7
191.10664	31.5
191.14297	4.4
193.08633	14.5
193.12331	10.5
197.13264	7.6
201.03931	22.8
201.09161	7.7
201.12776	11.0
205.12257	9.7
207.13811	8.7
215.14346	9.4
219.01491	3.9
219.13820	11.1
221.08078	33.4
225.12677	5.4
231.05023	4.1
231.13753	7.1
233.15329	7.6
237.14783	6.5
243.13806	38.4
249.15096	4.1
249.36832	3.4
252.16011	3.7
261.14868	59.3
279.15967	20.5
321.17194	3.4
346.04568	3.8
347.14917	19.5
365.15970	28.6
383.17041	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.1
53.18052	2.0
55.01870	17.4
55.05509	75.5
57.03417	7.5
57.07077	15.9
59.04958	2.1
61.02915	3.9
65.03935	3.5
67.05499	26.8
67.13383	1.9
68.99774	6.8
69.03078	3.6
69.03426	54.7
69.07063	100.0
70.71648	5.9
71.01353	2.5
71.04968	7.3
73.02901	3.9
79.05491	21.5
81.03416	45.9
81.06582	2.5
81.07053	45.7
83.04478	4.0
83.04975	76.9
83.08617	19.8
84.04509	2.7
85.02898	38.5
85.06540	2.3
87.00820	24.9
87.04467	3.2
91.05474	29.5
93.03413	2.8
93.07039	47.8
94.07368	1.9
94.97219	1.8
95.01292	4.3
95.04967	19.9
95.08603	26.7
97.02887	25.1
97.06538	10.5
99.04473	8.8
103.03930	5.5
103.65416	1.9
105.01828	4.3
105.07021	36.8
107.04957	10.2
107.08590	53.4
109.02880	25.0
109.06513	20.7
109.10142	18.0
111.04433	35.9
111.08064	6.0
113.02412	2.3
115.03927	8.2
115.05399	3.7
117.06990	6.8
119.04941	4.3
119.08566	33.5
121.06524	12.4
121.10136	26.2
123.04418	5.8
123.08071	9.4
123.11700	38.6
125.05952	2.5
125.09644	3.1
125.13261	41.0
127.03903	21.4
127.07526	2.9
128.06192	4.2
129.01857	5.1
129.05478	2.3
129.06969	6.0
131.08556	16.6
133.06488	5.3
133.10123	30.6
135.04420	3.0
135.08044	12.7
135.11685	34.4
137.05951	8.5
137.09610	6.7
137.13251	6.4
139.03893	4.6
139.07549	2.7
141.06987	2.1
142.07712	4.3
143.08566	10.4
144.09265	2.2
145.04912	3.7
145.06482	6.4
145.10101	17.7
147.02841	4.6
147.07990	10.0
147.11699	18.2
149.09579	6.5
149.13223	8.0
151.07500	3.7
151.11183	26.4
153.12695	6.9
155.08488	2.8
156.09320	3.6
157.10077	11.1
159.02870	7.0
159.08070	11.5
159.11638	14.2
161.09567	14.0
161.13257	4.6
163.07512	11.0
163.11160	21.6
165.09096	3.3
165.12764	12.5
167.08594	2.8
169.10089	2.0
171.02831	3.8
171.11661	8.8
173.09598	7.3
173.13257	5.0
175.07484	3.7
175.11218	10.0
177.09100	8.1
177.12729	15.9
179.10649	4.9
181.08572	2.5
182.10876	3.3
183.06503	3.5
183.11623	3.0
187.07545	2.3
187.14792	2.9
189.03929	5.3
189.12729	8.3
191.10687	4.6
193.12344	9.9
197.13257	5.1
199.11125	3.0
201.03952	6.7
201.12697	6.1
203.10585	4.4
203.46147	2.1
205.12277	2.5
207.13773	4.5
213.03891	5.1
215.14252	13.9
219.13779	12.0
225.12749	4.5
231.04987	5.8
233.15353	5.4
243.13797	21.2
248.08334	2.1
251.00908	1.9
257.00827	2.0
261.14847	30.5
279.15915	10.2
291.10138	6.2
297.16943	2.4
321.16913	6.3
323.12790	6.3
344.07510	1.9
347.14929	15.1
365.15939	25.8
383.17114	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	16.4
55.01881	22.6
55.05507	20.2
57.03430	17.2
57.07065	4.2
61.02920	13.9
65.03947	5.1
65.87650	4.4
67.05495	33.4
68.99791	18.5
69.03430	80.4
69.07061	26.8
70.06586	7.9
71.01340	10.4
71.04989	9.6
71.58863	5.5
71.59264	8.0
73.02903	12.4
79.05486	31.7
81.03420	46.5
81.07056	79.6
83.04991	34.4
85.02904	71.8
85.06561	6.5
87.00832	52.5
87.04435	4.4
91.05478	60.6
93.03377	4.5
93.07046	100.0
95.04969	32.8
95.08598	44.4
97.02885	78.6
97.06538	14.1
98.97628	5.7
99.04472	19.2
99.08104	7.6
103.03947	8.5
103.05452	9.3
105.01871	14.8
105.03408	5.7
105.06374	8.4
105.07027	79.1
107.04980	20.3
107.08595	80.8
109.02865	25.2
109.06519	34.7
109.10143	38.0
111.04445	15.5
111.08074	24.0
113.02337	6.5
113.05974	8.8
115.03925	19.9
115.05399	7.0
117.01842	6.0
117.07018	19.0
119.07329	10.5
119.08588	66.6
121.02876	4.2
121.06525	20.3
121.10133	48.4
123.04426	27.1
123.08075	29.3
123.11718	11.0
125.06010	11.2
127.03903	27.0
128.06210	5.8
129.01859	13.0
129.07057	11.3
131.04921	7.8
131.08595	24.8
133.06493	15.2
133.10129	44.9
135.04416	18.0
135.08052	30.9
135.11679	50.1
136.07568	65.2
137.06000	13.9
137.09608	18.9
139.07552	6.0
141.05463	5.1
141.09093	52.0
142.07753	8.4
143.08560	19.2
144.09486	5.5
145.02878	6.8
145.10077	28.9
147.02831	4.7
147.08031	24.3
147.11679	35.5
149.05951	10.8
149.09605	28.2
151.03882	29.4
151.07541	15.3
151.11165	9.2
155.08578	7.8
157.10071	20.8
159.02907	17.3
159.08055	14.6
159.11720	18.6
161.05940	5.1
161.09633	19.6
161.13269	9.7
163.03882	8.0
163.07544	9.0
163.11169	37.4
165.05461	11.0
165.09099	17.1
165.12729	39.3
167.07152	5.9
169.10071	9.0
171.02902	9.0
171.07901	4.6
171.11691	7.6
173.09671	11.3
173.13263	8.5
175.03947	4.6
175.07539	6.6
175.11198	20.4
177.05473	12.8
177.09131	34.8
177.12726	42.1
179.10681	17.3
181.04980	5.2
183.11720	6.9
187.03940	12.9
187.11156	4.6
189.03954	7.8
189.09128	15.3
189.12767	16.0
191.10762	5.6
191.14272	7.7
193.08614	7.1
193.12268	9.5
195.10144	8.7
197.13199	7.5
199.11177	10.1
201.03944	16.2
201.12785	10.7
203.10684	16.9
207.10162	10.2
207.13785	17.5
215.14320	19.8
219.13800	19.3
221.11775	12.3
225.11192	16.7
225.13017	8.2
229.04991	26.2
231.04872	5.2
231.13866	12.6
233.15366	29.8
237.14703	7.7
243.13765	42.2
247.06093	17.7
261.07520	6.2
261.14877	81.0
279.15872	28.3
321.06119	6.7
323.12720	6.8
333.06100	6.5
347.14972	11.6
351.07211	6.1
365.15778	43.5
383.07690	10.6
383.17258	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88281	2.9
53.03941	6.7
53.76357	3.2
55.01866	12.1
55.05508	15.7
57.03428	8.5
57.07047	3.6
61.02922	8.5
64.40295	3.2
65.03906	3.8
67.05508	23.6
68.99781	10.2
69.03426	50.7
69.07073	17.6
69.43564	24.3
70.06583	4.2
71.01337	5.8
71.04993	38.2
73.02904	4.8
73.06557	3.9
73.47786	2.8
77.03931	3.9
79.05491	29.7
81.03414	27.8
81.07053	61.4
83.04994	21.9
85.02909	48.0
85.06557	6.9
86.09692	3.4
87.00832	21.6
88.64910	3.3
91.05476	33.9
93.07042	72.7
94.89981	3.4
95.04970	17.1
95.08605	28.7
97.02876	33.0
97.06527	3.8
99.04469	10.3
100.11251	6.0
103.03965	5.6
103.05492	3.1
105.01877	7.6
105.07018	46.3
107.04958	12.4
107.08592	87.2
109.02879	8.6
109.05881	3.7
109.06493	17.2
109.10153	20.4
111.04458	15.9
111.08064	10.0
115.03935	12.6
115.05437	4.7
117.07024	14.6
119.08588	26.4
120.08115	3.1
121.06538	17.2
121.10157	24.6
123.04440	11.6
123.08069	11.4
123.11720	10.3
125.05989	6.2
127.03941	13.2
128.06177	4.7
129.01834	5.3
129.07022	12.6
130.07751	4.5
131.08588	14.8
133.06476	11.7
133.10123	19.4
135.08049	16.8
135.11690	57.4
137.06000	8.8
137.09601	8.7
137.13235	5.2
139.07523	5.7
141.06989	5.1
141.09094	7.5
142.07677	3.6
143.08556	14.9
145.06465	6.7
145.10109	23.5
147.04469	5.0
147.08078	10.6
147.11668	18.0
149.05977	6.4
149.09644	12.3
149.13297	5.1
151.07611	7.6
151.11172	8.8
153.12746	83.2
155.08548	7.9
156.09277	3.3
157.06511	4.8
157.10127	11.4
159.02898	6.9
159.08076	8.1
159.11713	13.1
161.06013	3.6
161.09596	6.3
161.13260	5.9
163.11171	17.5
165.09123	6.3
165.12721	23.0
167.07065	4.9
168.09344	3.5
171.02921	3.8
171.08061	3.5
171.11623	4.3
173.09676	17.9
173.13231	5.2
175.07547	8.8
175.11188	11.8
177.09142	12.6
177.12758	19.8
179.10750	4.0
179.14409	5.1
183.08099	3.4
183.11687	4.3
187.11165	7.0
189.03905	4.1
189.09146	3.8
189.12682	14.9
191.10648	11.0
191.14336	6.4
192.04207	13.9
193.12221	4.0
195.10120	3.5
197.13327	5.4
201.04002	10.3
201.09163	4.5
201.12677	7.3
203.10634	8.4
205.12344	3.4
207.13872	9.0
215.14357	7.6
215.31316	3.0
219.08092	4.3
219.13892	5.6
221.08089	100.0
221.11526	6.7
222.08505	5.9
225.12677	7.4
229.08624	4.3
230.97403	3.6
231.13776	4.1
233.15370	14.1
237.14978	6.0
243.13782	26.6
247.07481	5.7
261.14828	50.8
263.10654	5.5
265.08588	5.2
275.17239	4.1
276.07861	3.5
279.15887	21.3
291.10114	5.7
293.08063	4.8
308.10745	4.1
319.09506	5.1
323.12811	5.7
347.14890	11.7
351.12271	8.5
353.10062	6.3
365.16058	30.6
368.12509	3.9
383.16272	36.9
390.80371	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01865	11.0
55.05497	11.9
56.52216	2.9
57.03433	5.6
61.02918	4.7
67.05505	17.9
68.99776	6.7
69.03073	4.1
69.03428	55.7
69.07075	14.4
71.01331	3.1
71.04982	9.1
71.56660	2.9
71.57082	4.1
73.02920	6.6
79.05492	28.6
81.03416	28.5
81.07058	62.5
83.04957	11.5
83.08655	2.9
85.02908	41.9
87.00819	15.7
87.04485	4.0
89.89250	2.3
91.05476	39.7
92.94825	2.9
93.07045	100.0
95.04961	26.1
95.08604	37.9
97.02882	25.0
97.06527	8.2
99.04462	5.1
103.03927	4.1
103.05423	3.3
105.01856	9.9
105.07033	67.1
106.07368	2.8
107.04958	13.6
107.08590	89.6
109.02871	7.6
109.06500	11.7
109.10143	15.0
111.04420	6.7
111.08078	6.0
115.03926	12.9
115.05412	4.3
117.06995	8.7
119.04948	5.3
119.08596	28.2
120.08089	4.1
121.06506	10.5
121.10138	30.8
123.04423	6.5
123.08067	13.1
123.11710	4.9
124.08366	2.8
125.06001	4.0
127.03888	11.7
129.01833	5.8
129.06972	9.0
130.07741	4.1
131.08568	18.8
133.06454	5.7
133.10132	26.4
133.99541	3.0
135.04433	4.4
135.08040	12.5
135.11691	50.8
137.05934	8.9
137.09625	4.9
137.13260	5.0
141.06966	5.0
142.07750	4.7
143.08560	9.7
145.04947	3.7
145.06474	4.9
145.10123	27.2
147.04366	3.4
147.08029	11.1
147.11670	26.4
149.05966	5.5
149.09567	7.5
149.13239	5.6
151.07480	4.6
151.11166	9.4
155.08536	9.2
157.10104	15.5
159.02887	6.5
159.08047	8.7
159.11688	18.6
161.05989	3.1
161.09596	11.3
161.13156	3.6
163.07503	3.1
163.11180	34.7
165.09038	5.7
165.12759	23.3
167.08568	3.3
171.02840	3.0
171.11638	10.3
173.09608	12.7
173.13243	4.7
175.11136	16.1
177.09174	6.3
177.12700	14.7
179.07001	3.1
183.08009	3.6
185.09628	6.5
187.11148	6.1
189.03929	6.3
189.12764	12.7
193.12271	8.9
195.11845	3.9
197.13266	8.1
199.11127	5.3
201.03938	11.1
201.12741	8.9
203.10597	4.7
203.14272	2.9
205.12212	9.0
207.13704	3.6
215.14334	10.1
217.12213	6.6
219.08081	3.9
219.13812	9.9
222.11230	12.0
225.12822	7.2
229.08562	3.5
231.04939	5.5
231.08084	3.0
231.13864	6.1
233.15327	5.8
236.94011	4.4
237.14992	4.5
243.13835	39.4
247.07484	6.1
248.08331	4.8
254.95226	4.4
261.14865	64.9
263.10776	5.5
277.08643	2.9
279.15952	14.1
280.73215	3.1
291.10141	9.9
293.07968	4.0
307.09509	3.4
319.09595	3.8
321.16928	3.4
323.12735	5.0
334.91992	4.4
336.09644	3.5
337.10709	6.3
347.14929	27.2
351.12213	9.5
352.13235	3.7
353.10016	6.1
365.15912	32.4
368.12570	6.1
383.15268	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	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76731	3.7
53.03934	7.0
55.01873	10.2
55.05516	21.2
56.77805	4.5
57.03439	9.7
61.02929	7.8
67.05505	14.7
68.99792	9.8
69.03429	100.0
69.07064	13.4
71.04994	40.2
71.19520	8.8
73.02892	5.2
79.05505	20.0
81.03418	88.4
81.07047	50.9
83.04976	12.8
83.08595	7.0
85.02911	45.2
85.06531	6.1
87.00837	21.8
91.05466	40.2
93.07044	53.4
95.04987	20.6
95.08600	21.3
97.02885	40.5
99.08076	20.6
103.03867	5.6
105.01820	7.8
105.07036	60.7
107.04970	12.8
107.08604	51.3
109.02864	7.2
109.06522	23.5
109.10146	24.1
111.04436	9.5
111.08107	4.9
113.02390	4.8
115.03957	4.6
117.06999	20.4
119.04937	11.1
119.08593	47.0
121.06506	28.6
121.10159	23.2
123.04431	11.9
123.08073	16.7
123.11693	12.1
127.03905	15.6
127.07566	37.7
128.06232	11.6
129.01842	5.1
129.07022	11.7
130.07820	6.3
131.08562	21.0
133.06483	15.1
133.10167	27.9
135.08067	17.4
135.11697	27.6
137.05956	11.4
137.09651	6.0
143.08574	17.3
145.06491	12.1
145.10114	41.6
147.08035	23.9
147.11652	20.4
149.09628	8.8
151.07570	11.4
151.11185	24.1
155.08575	11.1
157.06520	9.2
157.10184	6.3
159.02887	6.8
159.08038	13.1
159.11684	18.2
161.09578	11.2
161.13277	8.3
163.11234	15.1
165.09251	6.0
165.12788	30.1
167.26228	4.4
171.08067	16.1
171.11742	7.1
173.09636	43.4
173.13255	5.5
175.07541	31.6
175.11197	14.2
177.12764	25.7
179.14381	4.7
183.08020	5.7
187.11267	6.7
189.09108	17.4
189.12775	12.1
191.10655	35.1
193.12262	11.4
197.13206	4.7
201.03922	21.8
201.09135	7.4
201.12674	5.6
209.11752	8.2
215.14308	10.2
219.13892	10.3
220.14229	4.7
225.12779	12.4
231.05099	5.9
233.15263	6.7
240.84180	4.2
243.13791	32.4
261.14841	47.7
279.15936	11.9
321.17059	7.8
347.14902	22.8
365.15936	23.6
383.17056	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	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.6
55.05515	6.6
56.49401	2.6
57.03430	9.3
57.07069	15.8
61.02916	4.4
61.95631	3.1
67.05510	13.4
68.99789	8.7
69.03435	33.0
69.07074	3.6
71.05015	4.0
71.20312	6.7
71.46391	3.3
73.02911	5.3
74.20355	2.9
79.05488	13.9
81.03422	10.6
81.07068	23.3
83.04981	9.6
85.02908	72.6
87.00831	35.1
87.73283	3.4
91.05492	22.3
93.07030	31.3
95.04975	7.7
95.08621	10.3
97.02880	17.1
103.03871	3.4
105.01859	7.6
105.07034	39.1
107.04922	4.4
107.08591	66.1
109.02901	5.8
109.06538	8.6
109.10162	84.6
111.04435	8.2
115.03948	12.0
117.07011	14.7
119.07783	5.8
119.08578	52.0
119.64436	3.1
121.10146	68.2
123.04462	3.6
123.08064	5.5
123.11697	20.0
123.92417	3.0
127.03920	9.0
128.06218	4.6
129.01834	6.8
129.05489	9.8
129.07034	7.2
131.08572	18.5
133.06493	10.0
133.10132	50.4
133.11090	4.7
135.08040	6.1
135.11702	97.5
137.09599	3.6
137.13260	5.5
140.62961	3.2
141.06995	6.1
142.07816	3.6
143.08582	10.2
144.09311	6.4
145.06476	5.1
145.10130	23.8
147.02864	3.7
147.08066	10.6
147.11697	57.0
149.09596	24.6
149.13298	9.9
150.51125	3.5
151.11191	48.4
153.12689	3.9
154.52866	3.3
155.08594	5.3
156.09344	13.2
157.10146	11.6
159.08080	9.7
159.11716	32.0
161.09651	10.9
161.13272	7.6
163.11191	83.1
165.12787	14.6
169.10123	5.3
171.02905	12.8
171.11688	15.7
172.08821	4.5
173.09662	9.9
173.13275	12.6
175.11188	33.8
177.12744	31.1
182.10901	5.2
183.11707	5.2
184.08835	3.6
185.09589	3.6
186.10358	4.5
187.11201	14.7
189.03888	9.8
189.11261	3.3
189.12654	17.9
193.12239	12.0
195.13765	5.7
197.13321	9.3
199.11237	17.5
200.11993	4.7
201.04042	6.2
201.12791	13.9
205.12251	7.1
207.13838	10.0
210.10487	3.7
213.12674	8.5
215.14333	13.1
217.12231	25.1
219.13812	25.9
225.12733	8.4
231.13857	7.1
233.15277	3.7
235.13310	11.3
237.14877	21.2
243.13806	55.4
261.14853	100.0
265.69669	3.4
270.72919	3.4
279.15997	28.5
321.13187	5.5
322.86456	3.6
329.13751	3.6
335.14478	3.9
339.14655	15.2
347.14929	26.3
365.15988	40.3
383.17215	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	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05628	1.1
53.03946	5.4
55.01877	8.0
55.05510	10.4
56.34650	1.3
57.03436	3.7
57.07064	2.5
61.02945	3.2
65.03931	1.4
67.05507	9.7
68.99796	5.1
69.03429	32.7
69.07070	8.8
71.01371	2.7
71.05002	6.2
71.39320	3.0
73.02905	2.1
79.05494	20.6
79.59790	1.1
81.03419	18.2
81.07056	41.0
83.04982	11.8
83.08643	1.7
85.02901	26.7
85.03369	2.1
85.06561	1.4
86.09724	2.9
87.00829	14.9
87.04461	1.4
91.05476	27.1
93.07041	86.6
95.04960	14.2
95.08604	26.1
97.02894	20.0
97.06557	4.3
99.04463	5.1
103.79485	1.2
105.01878	3.3
105.07029	49.2
107.04954	6.1
107.08591	100.0
109.02882	5.3
109.06511	8.6
109.10171	5.7
111.04440	12.8
113.02402	2.2
115.03947	5.1
115.05444	2.0
117.07010	8.6
119.04862	1.4
119.08581	21.2
119.09337	1.6
121.06485	9.8
121.10141	12.3
123.04459	5.5
123.08061	11.8
123.11723	5.5
125.02377	1.3
125.05994	3.8
125.13306	2.2
127.03914	6.8
128.06226	2.4
129.01869	1.6
129.06987	6.1
131.08572	14.3
133.06520	4.8
133.10129	17.4
135.04449	2.8
135.07178	1.3
135.08038	6.2
135.11687	43.3
136.72295	1.3
137.05965	5.9
137.09647	1.5
137.13254	4.5
139.04004	1.4
139.07617	1.5
141.06978	1.8
142.07811	4.9
143.08551	10.3
143.46301	1.3
145.05009	1.4
145.06488	2.8
145.10121	20.6
147.08070	6.4
147.11681	26.3
149.05972	2.7
149.09633	3.9
149.13292	6.8
151.07538	2.0
151.11200	4.2
153.05571	1.7
155.08601	4.5
156.09261	1.7
157.10121	10.3
159.02972	3.1
159.08115	5.6
159.11668	9.1
161.06023	1.8
161.09657	4.4
161.13324	2.9
163.07550	1.8
163.11172	29.8
165.12743	43.6
167.07091	3.8
167.08615	1.8
169.10202	4.0
171.02904	1.9
171.11798	3.3
173.09691	4.3
173.13301	3.9
175.07576	1.6
175.11154	7.1
177.12706	9.3
179.10687	2.0
181.12349	1.2
183.08104	1.7
183.11699	3.4
185.09694	3.0
187.11229	3.8
187.14853	1.6
189.04013	4.2
189.12721	7.4
191.14401	1.7
193.12299	10.3
195.13718	1.5
197.13354	4.5
199.11284	1.4
201.04030	4.7
201.08992	1.9
201.12785	7.5
203.10782	3.8
203.14407	3.6
205.12357	3.4
207.12117	1.4
207.13936	4.1
213.03970	1.2
213.12791	2.9
215.10971	1.4
215.14250	10.4
217.12419	1.9
219.13788	7.9
223.13310	1.8
225.12814	5.4
226.15694	1.4
231.08075	2.3
231.13931	3.9
233.15504	4.1
243.13799	32.2
248.08397	3.0
261.14856	93.3
262.15353	1.5
279.15912	11.9
283.40610	1.4
291.10309	4.8
297.16928	2.5
321.17010	6.1
323.12796	6.2
329.13812	2.5
347.14856	24.6
365.15979	35.9
383.17093	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29801	0.7
55.01873	1.8
55.63112	0.7
57.03441	0.9
57.07057	0.8
61.00506	0.9
62.88190	0.8
65.00559	0.7
67.05482	1.8
69.03418	1.4
69.07067	1.2
70.85691	1.2
71.16355	0.7
72.12679	0.8
79.05486	2.7
79.62952	0.7
79.66911	0.8
81.07053	3.3
85.02943	1.5
91.05480	3.6
93.07066	2.0
94.04195	3.7
95.08603	2.6
103.05455	1.5
105.07041	10.0
107.04964	2.2
107.08623	1.8
109.06516	2.3
109.10172	1.2
115.05439	3.4
117.03371	1.0
118.99380	0.8
119.08585	2.7
121.10163	1.6
122.03651	8.9
128.06201	2.4
131.04979	0.9
133.06474	5.0
133.10176	1.3
137.05977	100.0
139.05562	1.1
141.06967	1.9
146.03644	2.7
147.04408	1.0
147.11652	1.5
149.05986	1.8
149.88045	0.9
151.07605	0.9
156.05679	1.8
156.83574	0.7
161.05988	37.4
167.07045	1.0
168.05647	1.3
171.08041	2.1
173.06079	0.8
175.07555	1.9
177.05409	1.1
184.05247	3.9
187.07585	1.3
190.07755	1.2
191.08540	2.0
192.09341	1.3
199.07547	24.6
202.07759	12.6
203.08533	20.3
203.17999	2.7
204.09218	1.6
205.06525	1.7
215.08607	1.0
219.08035	8.0
220.08813	5.8
221.09648	1.0
230.07327	2.3
231.08055	26.3
232.08760	8.5
234.06844	0.8
235.07497	1.2
235.11296	2.1
242.07257	0.8
243.08090	1.1
245.09506	1.1
247.07512	5.3
248.05774	0.9
248.08342	17.0
249.08940	2.3
258.06857	0.9
259.07535	21.2
260.08276	10.2
261.09140	2.5
262.09875	1.7
263.10663	14.0
264.10913	1.2
265.08472	1.3
273.09183	1.7
275.07059	1.4
276.07806	11.7
276.10544	1.4
277.08566	5.1
277.11252	0.7
290.09506	0.9
291.10156	77.2
292.10809	10.5
293.08206	2.9
295.13327	3.1
307.09259	0.9
308.10385	2.3
323.12766	24.3
351.12280	1.1
383.15091	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35731	2.2
67.05511	11.0
71.60160	3.3
79.05499	4.8
81.07056	6.9
83.04959	2.2
91.05505	5.1
93.07039	3.2
94.04192	4.2
95.05003	2.8
95.08617	4.6
97.06533	3.1
103.05517	2.8
104.54185	2.2
105.07037	10.0
107.08562	5.8
109.06506	5.5
109.10160	8.8
115.05445	3.9
119.08610	4.7
121.10168	2.5
122.03645	7.8
128.06169	2.7
130.05977	2.3
133.06502	7.4
135.11687	2.1
137.05984	100.0
141.07100	3.3
143.08577	3.7
145.10127	3.8
146.03696	3.6
161.05983	49.2
161.13240	3.0
167.07053	2.5
168.03195	2.8
171.08072	3.8
173.11792	3.0
175.07622	2.8
184.05171	5.3
191.08546	5.6
199.07600	24.1
202.07759	14.6
203.08611	20.0
204.09442	2.7
205.06465	2.3
219.08092	10.7
220.08821	6.2
222.06694	3.1
231.08083	29.1
232.08804	6.5
233.09613	3.2
247.07536	5.4
248.08356	22.9
259.07513	21.9
260.08310	14.7
261.09052	4.3
262.09750	2.7
263.10617	15.7
265.08548	3.7
275.07062	3.6
276.07916	14.4
276.10544	2.4
277.08609	9.1
279.10483	3.3
291.10141	83.5
292.10703	14.4
293.08093	2.7
307.09531	2.7
308.10431	6.3
321.08051	2.8
323.12811	32.8
337.10550	3.2
351.12225	7.8
353.11331	2.5
368.12451	3.8
383.14911	25.9
383.22433	2.7
383.24878	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	383.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.9
55.05498	2.3
56.45902	0.8
64.54352	0.9
65.03943	0.8
67.05504	5.9
69.03401	1.1
69.07050	3.3
71.04998	1.3
71.59554	1.3
79.05495	6.1
81.07053	12.5
83.04974	3.1
83.08603	1.6
85.02885	1.3
91.05481	6.9
93.07043	5.1
94.04169	3.9
95.04942	2.9
95.08625	4.9
97.02875	1.2
99.04499	1.2
103.05430	1.6
105.07024	15.1
107.04932	1.9
107.08587	3.2
109.06499	6.1
109.10145	4.6
111.04417	2.9
115.05452	3.4
117.06993	1.2
119.08572	7.1
121.06544	1.3
121.10150	3.2
122.03635	8.8
123.08035	1.3
128.06227	2.5
131.04909	1.5
131.08510	1.1
133.06480	6.0
133.10077	4.4
135.11723	1.6
137.05972	100.0
141.06958	2.2
143.08531	1.1
145.06458	1.2
145.10109	2.5
146.03607	3.7
147.08092	1.0
147.11674	3.9
149.05977	1.0
149.13287	6.3
156.05652	1.5
157.10094	1.1
159.08055	1.2
160.05244	1.1
161.05981	36.6
161.13261	14.8
162.06396	1.1
163.14798	1.9
167.06992	0.9
168.05646	1.1
171.08040	1.7
173.11763	1.7
175.07582	1.3
175.14819	13.0
177.05437	2.5
177.16490	2.1
184.05177	4.0
185.13203	1.2
187.07608	1.2
187.14607	1.0
189.07050	0.9
189.16406	5.2
191.08539	2.7
192.09317	2.0
199.07523	24.7
202.07791	12.7
203.08571	21.0
203.18095	1.2
204.09203	1.2
205.06506	2.6
207.08115	1.2
213.16376	0.8
215.08595	1.3
219.08037	7.8
220.08795	6.7
221.09634	1.6
227.17996	1.6
230.07303	1.6
231.08028	28.9
232.08810	6.7
233.06024	0.9
233.09517	1.4
234.06781	1.0
235.11194	2.4
235.16904	1.3
245.09560	1.2
247.07527	7.1
247.54655	0.9
248.08305	17.2
249.09030	3.3
249.98726	0.9
258.06805	1.5
259.07535	20.1
259.10248	1.1
260.08282	12.1
261.08972	2.1
262.09845	1.9
263.10678	14.6
265.08514	1.7
273.09171	1.2
273.18491	2.0
275.06943	2.8
275.10553	1.1
276.07809	12.0
277.08517	6.7
278.08984	1.2
281.60385	1.1
291.10132	72.7
292.10907	8.4
293.08124	2.5
295.13147	2.9
305.08096	1.0
305.11435	1.0
307.09729	1.0
308.10477	2.6
323.12787	25.8
323.16663	1.3
336.09937	0.9
337.28870	5.2
351.12131	2.4
365.23343	1.1
367.71841	1.0
383.10840	0.9
383.15085	7.2
383.21948	1.1
383.24219	1.1
383.29245	11.6
397.14172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44564	1.1
55.01862	1.9
56.96552	2.0
57.03438	3.3
58.43941	1.1
61.02921	4.1
67.57734	1.2
69.03425	9.9
70.41678	5.7
72.91016	1.3
73.02911	2.0
74.02421	2.0
81.03398	6.5
82.02927	2.8
83.04950	1.4
85.02902	33.7
89.03893	2.5
91.05463	1.4
94.06563	2.7
97.02887	8.8
98.97573	2.0
99.04468	2.2
103.03941	3.1
109.02895	3.4
110.07206	2.7
115.05452	1.3
116.98605	2.6
117.03329	1.8
118.06556	5.5
127.03913	5.0
130.06525	59.7
132.04453	18.9
132.08098	4.9
134.05960	1.3
135.04443	3.6
136.06200	1.4
136.07562	3.9
142.06595	1.5
143.07326	1.6
144.06947	2.0
144.08075	26.1
145.02841	2.1
145.05055	1.5
145.07587	24.4
145.08620	2.5
146.05977	10.5
148.07602	4.2
154.06552	5.3
156.08061	5.1
157.07603	60.7
157.08870	3.0
158.06009	47.3
158.08066	2.2
159.09195	8.4
160.07603	4.6
163.03909	16.1
167.07283	1.8
169.07573	6.3
170.06001	3.6
170.08350	1.9
171.06761	2.8
171.09190	8.0
172.07559	12.7
173.07074	1.6
174.05533	7.5
175.08664	53.5
176.07048	4.7
181.07614	3.9
182.05968	1.7
182.08372	2.3
182.99615	2.2
183.09178	14.8
184.06125	1.8
184.07619	3.4
185.07091	11.3
186.05489	5.1
186.07964	3.5
187.08694	1.8
188.07094	1.5
190.08595	1.8
199.08644	9.7
200.07069	16.6
201.00702	5.5
201.10168	1.4
203.08141	100.0
204.06688	2.8
204.08514	4.0
207.09277	3.0
209.07059	7.2
215.08139	2.7
216.09019	4.0
217.09715	29.9
219.01740	3.5
221.09190	56.3
224.06834	2.2
227.08119	10.4
228.06712	2.8
231.07677	5.6
243.07765	2.0
245.09189	26.4
246.07571	2.1
263.10269	50.0
264.10580	2.9
274.10727	1.8
299.10199	7.3
311.10013	1.9
329.11185	3.8
347.12451	11.1
348.10782	10.7
365.13455	39.4
383.14474	38.1
383.18546	1.0
384.14636	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71289	0.6
56.96295	0.7
56.96565	12.4
57.03417	0.8
59.63861	0.6
61.02905	0.7
68.95415	0.6
71.57362	0.9
71.95255	2.4
81.07054	5.7
95.08581	0.9
97.02888	2.6
98.97585	44.2
104.71007	0.6
109.02865	0.8
113.03487	0.8
116.98621	66.0
117.98935	1.0
119.01896	4.1
126.05576	0.6
127.92860	0.6
130.22853	0.6
134.99658	70.6
136.00005	0.8
137.02950	2.0
137.13237	1.8
140.00186	2.1
142.03526	1.1
147.04405	4.2
153.00713	18.3
158.01257	4.8
174.97646	1.8
176.02376	0.8
177.00992	4.3
178.01044	1.2
192.98737	3.7
197.99608	0.6
199.04584	0.8
201.00955	0.6
216.98753	1.6
217.99022	0.9
219.01950	6.6
220.02147	2.0
221.01802	1.6
232.93080	0.7
232.96617	0.8
234.99829	5.7
236.00044	1.7
236.99718	0.9
238.99812	0.6
240.98659	5.2
247.04573	2.8
249.05263	0.6
253.01045	1.1
256.96686	4.7
257.96902	0.7
258.99774	44.9
259.99939	3.1
260.97437	1.2
260.99957	3.5
261.03094	9.5
262.03189	2.1
263.02893	1.8
265.05603	1.9
272.94196	1.3
274.97723	3.2
275.97784	1.6
277.00830	100.0
278.01123	6.2
279.00873	5.7
279.98221	1.5
281.98505	0.8
282.01221	3.4
282.99902	4.7
283.06595	2.2
284.00055	2.1
284.04651	0.9
284.99756	8.8
286.00079	1.1
290.95636	0.8
292.95297	0.6
293.99252	0.8
295.01962	1.8
298.98044	1.4
299.97772	0.6
299.98993	0.7
300.02393	7.2
301.01028	12.4
302.01108	5.0
303.00867	24.6
304.01105	1.8
313.00809	0.6
316.98862	1.6
317.98990	2.3
319.02228	1.0
321.01944	2.1
326.02405	1.2
328.92368	0.6
333.92307	0.8
336.92282	1.4
337.92410	0.8
338.46283	1.2
338.95621	0.8
342.91501	1.2
346.94348	0.7
348.56418	0.8
357.92941	2.6
358.43097	1.5
359.01596	1.3
359.48306	0.8
359.99884	2.6
360.43829	0.9
360.93286	0.8
365.91986	2.2
366.91364	1.0
371.96140	0.9
372.91119	0.9
374.92450	1.1
377.02740	1.1
378.93597	2.5
379.94092	1.2
380.43326	1.3
381.97839	0.8
382.96399	5.6
397.94614	0.8
400.42987	0.9
400.97269	28.2
401.97583	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05505	6.4
56.96560	1.8
57.03438	2.1
59.04998	3.5
60.04524	2.3
61.02912	2.7
67.05499	3.4
69.03419	10.8
69.07070	5.9
69.64323	0.8
70.06580	8.2
71.04996	10.5
71.58206	1.6
71.72053	0.9
72.08146	2.5
73.02911	1.2
79.05484	5.0
81.03418	3.5
81.07056	17.8
82.25549	1.0
83.04984	9.5
84.08148	1.3
85.02905	20.4
85.06537	1.2
86.09708	9.6
86.37442	0.9
87.04448	2.1
91.05479	4.0
93.07030	9.9
95.04981	4.5
95.06089	1.4
95.08606	7.8
97.02886	7.5
97.06531	13.7
97.10122	1.5
98.97572	0.9
99.04449	2.6
99.08095	1.7
105.07026	3.0
106.33337	0.8
107.08588	21.2
109.02892	1.8
109.06517	9.1
109.10154	13.5
110.07162	3.2
111.04446	1.3
111.08102	4.4
111.11732	1.9
115.03896	1.2
115.07573	2.1
116.07087	7.4
117.05547	2.6
119.04929	2.5
121.10151	14.2
123.08063	7.1
125.05952	0.9
125.09635	12.9
127.03934	6.7
127.07539	5.8
128.07117	1.5
131.08539	1.7
135.11711	1.2
136.06195	9.5
136.07600	1.9
136.08826	2.4
137.09612	12.5
139.11172	19.0
139.12204	1.5
145.04938	3.2
145.08591	4.2
147.04369	4.8
149.09628	5.2
155.10661	10.6
156.07605	1.1
157.12215	3.6
163.03937	2.0
167.10667	49.6
173.12901	7.3
177.05493	1.0
181.04961	1.6
182.08124	1.4
185.08228	1.4
185.11725	38.6
187.20882	0.9
190.08560	1.4
201.12401	2.3
202.10959	2.2
203.12779	100.0
204.13211	1.5
220.11903	6.2
269.16129	1.0
332.31604	0.9
382.16647	1.7
382.20807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10543	1.4
55.01867	2.8
55.05510	8.6
57.03429	2.5
57.74233	1.7
59.04990	1.7
59.06145	1.7
60.04530	2.0
61.02914	1.6
62.29211	1.4
64.45943	1.7
67.05502	5.2
69.03422	10.5
69.07076	9.4
69.56740	12.6
70.06581	5.1
71.04993	8.7
72.08137	1.3
73.02908	2.1
75.76012	1.5
79.05487	13.7
81.03408	3.3
81.07058	19.9
83.05001	8.5
84.04506	2.1
84.08181	1.8
85.02905	21.0
85.06541	3.0
86.09706	7.4
87.04458	5.5
91.05466	4.5
93.07048	16.0
95.04985	6.5
95.06141	1.8
95.08604	10.5
97.02885	5.4
97.06525	9.3
98.97559	2.1
99.04428	2.6
99.08085	3.7
105.07057	7.4
107.04984	1.8
107.08593	49.0
109.06505	2.9
109.10170	11.1
110.07178	1.9
111.04417	2.5
111.11719	2.2
113.06003	20.9
115.03907	2.8
119.08540	2.3
121.06491	3.4
121.10143	29.9
123.08083	8.1
125.09629	27.0
127.03924	4.9
127.07505	2.2
129.09109	1.9
131.08572	4.6
135.04433	9.4
136.06154	2.0
136.07558	2.4
137.09615	4.8
139.11183	27.3
141.09073	1.8
145.02831	2.9
145.04959	4.0
147.04399	4.0
149.09610	14.5
155.10638	5.7
157.12219	3.8
163.03911	18.7
167.10677	68.0
168.11049	2.0
173.12914	2.9
182.04996	1.6
185.11737	100.0
186.12097	3.5
191.03351	6.7
201.12372	2.3
203.12791	84.3
204.13190	1.8
209.07915	1.5
317.87970	2.1
382.19690	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05545	1.1
55.70819	1.0
57.03446	2.1
59.71072	1.0
60.04514	1.3
63.79089	1.0
64.69318	1.0
69.03436	8.5
70.06588	2.8
71.58104	1.1
71.58487	1.0
79.24554	0.9
84.04552	1.1
85.02912	15.3
87.04464	4.4
88.07641	100.0
97.02901	6.9
98.97615	1.4
99.04442	1.2
109.02882	1.7
115.03935	4.3
120.08114	2.1
120.83427	0.9
127.03925	6.2
128.04256	1.1
133.04951	3.3
136.07610	1.2
145.05002	1.8
147.04420	5.9
163.03868	1.2
166.08783	1.2
201.00679	1.2
220.11636	1.2
237.02841	1.8
250.12883	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	382.1711
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01895	1.7
56.96557	2.9
57.03445	4.0
60.04521	1.9
61.02910	2.0
67.05473	1.7
69.03433	7.9
69.07064	7.4
69.82921	7.1
69.83332	3.6
70.06597	2.3
71.04993	2.3
72.04514	4.9
73.02913	4.3
80.33119	2.1
83.04978	2.3
83.55011	1.7
84.04494	2.2
85.02915	14.6
85.06539	5.5
86.09686	2.3
87.04469	2.3
88.07636	58.1
90.05558	47.3
95.04969	3.6
96.08144	1.6
97.02905	7.4
98.02405	3.0
98.20796	2.2
98.97593	3.2
103.07569	3.0
115.03980	4.1
115.07607	2.9
116.03480	8.9
116.98654	2.0
120.08102	6.7
124.07620	7.3
124.70583	1.8
127.03923	3.3
141.01657	1.7
142.08647	2.6
145.04933	2.1
147.04416	9.1
163.03908	2.3
166.01672	1.8
166.08591	2.7
184.09700	11.1
190.08705	2.5
201.00740	1.7
202.10730	18.9
207.11299	2.3
213.03072	1.8
220.11813	100.0
221.12263	1.9
235.10851	2.3
250.12889	8.1
383.09464	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	382.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74627	1.4
55.05493	3.1
56.96553	2.8
57.03447	2.4
60.04525	4.6
61.02929	2.8
65.03929	2.3
67.05502	4.0
68.99816	1.3
69.03437	11.2
71.05002	1.5
71.60220	1.9
73.02915	2.5
74.06071	3.6
74.37664	1.2
81.03404	3.6
83.04975	8.7
84.04510	8.2
85.02917	17.6
85.06521	1.5
87.04496	1.8
91.05475	12.6
93.07034	1.6
95.04955	7.1
95.08586	2.0
96.04477	3.3
97.02900	8.9
98.97561	1.5
99.04428	1.6
107.04958	19.2
107.08530	1.5
109.02873	2.9
111.04440	7.1
115.05389	1.3
117.07044	4.3
119.03611	1.7
119.04949	19.8
119.08574	6.6
120.08123	12.2
121.06496	4.5
121.08443	5.5
121.10102	1.4
123.04433	6.2
125.09610	1.8
126.05556	1.7
127.03950	8.6
129.05464	1.8
131.04881	1.8
132.05739	1.4
135.04460	1.6
136.06194	91.5
137.04572	1.9
139.03889	1.7
145.04927	2.0
145.06551	9.4
147.04422	100.0
147.06834	4.6
147.08041	39.3
148.04810	3.2
148.06157	4.4
148.07565	7.0
159.06625	3.0
162.05455	1.8
162.09164	20.2
163.03893	2.6
165.05524	2.0
166.08681	1.6
167.10680	4.1
172.07600	2.1
173.06017	4.4
173.08253	1.3
180.06567	1.5
185.08266	10.8
185.11752	6.2
190.04985	2.1
190.08649	67.4
191.03404	2.8
191.06996	2.3
200.27202	1.4
202.10886	17.5
208.06154	1.8
208.09744	12.6
217.08333	1.4
220.09729	5.9
220.11929	66.0
224.11143	2.0
240.05975	1.3
253.50552	1.3
321.09793	1.4
339.10919	2.3
364.13882	4.9
382.16962	38.4
382.27954	2.2
383.13187	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	381.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
67.05490	1.8
69.07025	0.7
71.57069	1.3
79.05502	1.7
81.07045	3.0
83.04971	3.3
91.05453	2.8
93.07035	2.3
95.04945	2.2
95.08601	1.5
105.07008	1.5
107.08588	2.4
109.06472	0.9
109.10156	1.3
119.08562	2.1
121.06506	0.7
121.10107	1.9
122.03731	0.7
123.08039	0.8
131.08582	1.2
133.10110	1.6
137.05980	2.3
141.84547	0.9
143.08615	1.0
145.10130	1.4
149.09544	0.9
153.05403	1.2
159.11700	0.8
173.09613	1.3
179.08513	1.4
179.82901	0.7
189.06978	4.9
190.07744	5.7
200.06316	1.0
200.20053	1.1
201.07053	2.3
201.20450	0.9
202.07782	3.7
203.08563	1.6
205.06503	1.1
206.07280	0.8
207.08072	4.4
208.06778	0.8
215.08484	1.0
217.06395	1.0
218.05130	1.0
218.07278	19.0
219.08035	5.2
229.06462	12.0
230.07220	6.7
231.08038	2.8
232.08748	1.4
233.09576	4.3
234.06717	1.0
235.07552	11.0
236.08002	1.1
243.08109	1.8
245.05981	3.1
246.06775	25.1
247.07487	9.7
248.08150	0.8
249.09050	2.1
250.09911	2.3
257.05933	7.0
258.06741	5.3
259.07510	4.6
260.08188	1.8
261.09100	46.8
262.09662	4.8
263.07034	10.7
272.08243	0.9
273.05521	2.9
273.09067	2.1
274.06244	16.5
275.07034	8.7
277.08578	5.6
278.09390	13.5
288.07816	1.6
289.08585	51.4
290.09274	17.1
291.06464	7.6
291.09738	1.6
292.11133	1.0
293.11707	3.7
303.10287	2.2
305.08081	2.4
306.08868	20.1
308.64813	0.8
321.11203	100.0
322.11496	6.3
381.13391	3.5
381.24307	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22396	1.8
69.51443	14.1
74.55153	1.6
84.92700	1.9
98.13880	1.5
181.35770	1.9
201.01634	2.2
219.02652	3.0
381.07938	100.0
382.08344	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84191	3.4
93.82114	1.2
102.38736	1.0
198.80949	1.1
274.48953	1.1
299.94684	1.1
302.77521	1.3
381.07932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01858	1.8
55.05499	2.1
56.96551	2.8
57.03449	2.2
57.07066	1.2
63.92249	1.2
65.03945	2.3
67.05497	5.5
69.03427	4.2
69.07067	1.8
71.04996	27.2
72.08170	6.6
79.05495	9.9
81.03411	1.6
81.07069	6.9
83.04973	7.3
84.96052	1.5
85.02903	8.4
86.09711	14.2
87.75717	1.5
91.05493	22.7
91.97002	1.1
92.05785	1.4
93.03403	2.2
93.07048	10.5
93.41200	1.1
95.04948	3.6
95.08615	7.1
97.02905	3.7
97.06532	3.2
97.26973	1.2
98.97593	6.0
99.08148	1.4
103.05463	2.3
105.07037	11.5
107.04971	3.2
107.08575	6.8
109.02782	1.3
109.06547	2.7
109.10184	1.5
110.97547	1.2
111.04472	6.8
115.05412	2.6
116.98616	5.1
117.03385	5.2
117.07030	3.5
118.06570	1.8
119.04960	23.5
119.08598	4.3
120.05315	1.3
120.08116	30.1
121.10153	5.3
123.11690	2.0
128.98636	1.6
129.05444	2.0
131.08560	2.3
132.08105	2.1
133.05157	5.1
133.06490	3.0
134.99672	2.0
135.04407	1.3
137.09628	2.3
137.13280	2.6
139.03886	3.9
143.04947	2.0
144.04405	2.7
145.02866	9.3
145.05057	1.3
145.05446	1.6
145.06505	9.8
145.10139	7.8
146.06007	21.3
147.04420	81.0
147.11671	7.2
148.04776	6.8
157.04944	2.3
159.11722	4.8
160.07591	23.7
161.01230	2.1
161.06070	1.6
162.05518	2.8
162.09148	6.7
163.03940	1.9
165.09148	1.8
165.11392	2.2
165.12769	42.1
170.06020	4.9
171.04431	14.6
173.04709	2.4
173.13278	1.8
177.00746	1.8
177.05522	4.7
178.08659	2.1
183.13806	18.1
186.12447	1.4
187.10826	3.1
188.07083	100.0
189.07394	5.9
201.00748	1.4
201.11336	1.5
201.16397	9.5
206.08150	26.2
211.08691	2.3
215.08180	4.5
219.01811	1.6
233.16463	8.2
234.09778	2.8
237.02861	4.2
239.08105	8.2
243.07526	6.1
245.09306	2.2
251.35994	1.4
257.09204	3.5
261.08646	3.1
261.15927	2.8
267.07703	26.7
275.55298	1.3
283.01596	1.3
285.08737	20.8
289.08176	2.6
295.07016	3.1
303.09885	2.8
303.13333	1.9
307.10593	10.3
313.08209	16.6
321.10724	2.8
331.05319	1.7
331.09244	31.8
331.12943	2.6
334.12634	1.9
339.11905	3.9
349.10330	2.9
349.14072	1.6
362.12250	3.4
363.11896	4.7
380.13467	39.8
380.17398	1.4
381.12869	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	380.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01867	8.5
55.05497	13.9
55.37777	3.4
56.05032	6.6
56.96551	9.4
57.03423	6.4
61.02925	8.9
65.03936	5.4
67.05496	38.1
69.03426	33.9
69.07061	8.3
69.91631	6.1
69.92046	13.5
70.06601	17.9
70.06895	3.9
70.30198	3.4
71.04992	71.5
72.08142	11.1
73.02913	3.9
74.06055	5.0
79.05479	17.5
81.03404	15.1
81.07053	22.8
83.04968	13.3
83.08642	4.1
84.04500	10.2
84.08134	10.8
85.02898	53.5
86.09690	16.0
87.04469	37.9
91.05480	77.0
92.05794	3.5
93.07041	60.4
95.04964	18.1
95.08609	100.0
97.02909	17.6
98.21451	5.4
98.97588	12.0
99.04459	14.1
99.08084	4.8
103.05439	5.8
105.03394	8.2
105.07041	13.2
107.04932	5.3
107.08569	13.4
109.02877	5.5
109.10156	28.7
111.04438	10.2
111.08047	8.7
112.61251	3.6
113.05996	5.0
115.03928	32.5
116.98605	11.2
117.03345	5.3
117.06979	6.7
119.04929	26.1
119.08585	87.1
120.05208	4.5
120.08122	21.2
121.06531	4.5
121.10097	4.3
123.04414	4.3
123.08054	12.1
125.09640	7.5
127.03902	17.9
129.06970	3.8
129.10225	7.8
132.04449	14.7
133.10089	3.8
134.99661	6.0
135.04427	3.9
136.06165	3.5
136.07571	4.9
137.05986	4.9
137.09628	49.0
141.05432	13.2
145.02786	5.0
145.04889	6.4
145.10115	5.0
146.99707	4.4
147.04404	97.1
147.08035	22.5
148.04771	8.1
155.10655	30.6
160.07564	30.0
161.01172	5.7
162.05452	3.6
162.09126	13.2
163.03871	17.2
165.09117	43.3
171.10231	5.3
177.00739	5.4
177.05487	16.4
183.10181	41.6
188.07080	51.8
195.57962	7.0
201.11211	50.0
206.08064	32.8
216.08525	3.6
219.01869	5.1
237.02678	9.5
275.99905	4.1
334.12692	4.6
379.68420	4.8
380.13440	41.4
380.22699	5.3
387.13297	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	379.2842
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01861	2.9
55.05265	1.3
55.05512	17.1
57.03429	3.0
57.07071	13.5
57.14917	0.9
65.03923	1.2
65.98792	1.0
67.05505	18.2
69.03431	3.0
69.07063	22.3
71.04991	2.1
71.08624	4.7
71.51388	1.1
71.51741	1.3
73.73837	1.0
77.73609	0.8
79.05490	10.3
81.07056	29.6
83.04980	8.0
83.08629	8.3
85.06545	7.2
91.05472	7.8
93.07042	21.3
95.04978	3.1
95.08605	26.3
97.06519	10.2
97.10168	3.1
99.08099	4.2
100.94480	0.9
105.07029	7.6
107.08595	30.6
109.06514	13.5
109.10166	9.9
111.04443	34.4
111.08087	5.4
111.11725	1.6
112.13795	0.9
113.06030	1.3
117.07011	2.2
119.08563	9.8
121.06522	1.9
121.10114	9.7
123.08071	10.4
123.11706	3.2
125.05982	17.3
125.09647	1.8
127.07539	1.1
129.07007	1.4
131.08563	2.0
133.10158	7.1
135.08063	17.3
135.11691	17.3
137.05981	9.5
137.09648	1.5
137.13266	2.6
139.07544	3.2
143.08499	1.5
145.10135	10.7
147.08038	1.2
147.11685	6.7
149.09615	5.8
149.13260	2.7
151.07582	3.5
151.11145	2.4
153.12708	6.5
157.10132	1.2
157.60239	1.0
159.11674	2.4
161.09599	2.7
161.13301	2.2
163.11186	7.3
163.14845	2.7
165.09111	2.7
165.12743	4.9
167.14322	1.8
169.10123	1.1
175.11151	1.5
175.14848	2.1
177.12788	4.1
177.16318	1.1
178.39526	1.0
179.14325	4.5
181.12241	11.4
187.14807	1.0
189.12775	1.3
191.14272	2.1
193.12300	3.2
193.15964	2.0
195.13788	5.2
201.16382	1.5
201.58720	1.1
205.15919	2.5
207.13873	1.3
207.17502	1.0
209.15430	1.3
219.17252	1.5
221.19037	4.1
224.22375	1.0
229.08385	1.1
231.15822	2.0
235.20612	2.8
249.18521	3.2
263.20093	3.6
287.23666	2.1
301.25177	1.0
305.24741	100.0
306.25119	4.7
319.26297	23.4
320.26660	1.8
326.39859	1.0
329.24792	4.0
347.25784	96.6
348.26138	6.7
351.28940	26.3
361.27264	12.3
379.28436	54.9
380.28720	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	379.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05499	3.2
57.07058	1.6
58.41827	0.8
59.61765	0.8
67.05484	3.2
69.07068	6.4
71.59379	1.4
77.36900	0.8
79.05468	3.7
80.85155	0.9
81.07057	8.6
83.04976	1.1
83.08607	2.1
91.05480	5.0
92.05058	0.8
93.07043	5.0
95.08613	7.8
105.03378	1.6
105.07034	10.0
107.08032	0.9
107.08613	8.1
109.06538	1.2
109.10157	5.2
117.07005	1.9
119.04893	1.0
119.08585	8.7
121.06503	1.2
121.10145	3.7
123.08031	1.0
123.11686	4.8
123.62878	0.9
129.06941	1.5
131.08571	2.6
133.10139	6.4
135.07986	0.8
135.11670	1.7
137.05966	2.6
137.13298	1.4
143.08542	1.8
145.06409	1.2
145.10164	4.7
147.11705	7.0
148.12354	1.0
149.05989	2.5
149.13257	4.7
151.07541	1.6
157.06447	1.2
159.08081	1.8
159.11710	2.1
160.01338	0.9
161.05988	1.0
161.13251	7.1
163.14804	1.2
165.06995	1.1
167.08536	1.2
169.06448	1.6
169.10133	1.0
171.11691	1.4
173.05902	1.0
173.09576	1.9
173.13191	1.9
175.07532	2.2
175.14848	1.9
177.05487	2.0
177.09154	1.5
179.06964	0.9
181.06512	1.2
183.08057	1.1
186.06760	1.1
187.07605	1.8
189.09090	3.9
189.16333	2.7
191.07097	1.2
191.10574	1.6
191.14285	3.1
195.08049	3.1
197.05975	1.9
198.06778	1.7
201.09084	6.2
201.16400	3.1
203.07051	1.7
203.10689	1.5
203.17946	7.4
204.18721	10.1
205.08580	2.1
207.08038	1.2
211.07564	1.5
213.09068	2.1
215.07063	0.9
215.10654	2.1
217.08678	1.0
221.09653	2.4
223.11230	1.7
225.09033	3.1
226.06161	2.6
227.06978	2.6
227.10629	2.0
229.08609	2.1
231.10057	2.5
233.09517	1.3
235.11098	2.2
237.09032	1.2
239.10724	2.2
240.07841	1.1
241.08516	8.4
241.12354	1.6
243.10039	1.2
243.13768	1.4
245.09593	1.2
249.09149	1.8
249.12788	1.7
251.10670	1.7
253.12198	1.6
255.10165	2.5
255.13763	2.1
257.26642	1.3
258.42465	0.9
261.12653	2.2
263.10632	1.2
263.14410	1.5
264.11490	0.9
265.12234	1.6
267.10126	1.9
267.13809	2.3
269.15604	1.0
276.11469	1.3
279.13861	1.1
280.10864	1.2
281.11798	1.8
281.15396	2.2
283.13388	1.2
289.12296	1.8
291.13858	2.0
293.11935	1.4
293.15366	2.8
295.13211	3.0
295.16519	1.6
303.13770	1.5
303.17407	1.0
305.15485	1.3
306.12607	1.7
309.14725	1.5
319.16974	1.3
319.20380	1.2
321.14905	10.8
321.18332	1.7
322.15417	2.0
323.16342	3.3
325.35071	0.9
329.19138	1.2
336.17258	2.1
337.17834	3.0
337.21613	2.1
346.19168	1.2
347.20023	1.9
349.17819	1.2
351.23257	6.2
361.21704	5.2
364.20380	2.6
379.22647	100.0
379.30432	4.8
380.22958	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	379.2266
Annotation	2'-Epiisotriptiliocoumarin
Peak:m/z	Relative Intensity
51.02364	0.6
52.80433	0.4
55.01867	1.1
55.05508	3.2
57.07059	1.2
67.05506	4.4
69.07067	6.0
70.06585	0.7
71.04969	0.5
71.57509	0.5
79.05487	2.7
81.07055	8.6
83.04984	1.4
83.08616	1.7
88.07634	0.6
91.05481	3.7
92.23223	0.7
93.07037	7.4
95.04977	0.8
95.08595	7.0
102.09231	0.6
103.05481	1.1
105.03383	0.7
105.07036	10.3
107.05015	0.5
107.08583	8.3
109.10147	6.3
115.05475	1.3
117.07012	1.5
119.08569	9.3
120.39974	0.4
121.06470	0.5
121.10146	4.2
123.08037	0.5
123.11702	5.0
129.06990	1.7
131.04936	0.6
131.08551	2.1
133.10129	5.1
135.08086	0.6
135.11694	2.1
137.05994	2.3
137.13271	0.8
141.07030	0.9
143.04939	0.6
143.08575	1.9
144.05777	0.6
145.06485	2.0
145.10121	4.8
147.08070	0.6
147.11681	7.6
148.12387	0.8
149.05931	1.3
149.13266	3.6
150.06371	0.4
151.07555	1.4
155.08580	1.1
157.06508	1.5
157.10106	0.8
159.08022	1.1
159.11653	2.1
161.13257	7.3
163.03795	0.7
163.07578	1.0
163.11160	0.5
163.14819	1.8
165.06984	0.7
167.08556	1.6
169.06459	0.9
171.08047	1.9
173.05991	1.3
173.09656	1.5
173.13268	1.2
174.06813	0.8
175.07620	1.8
175.14835	1.9
177.05537	2.4
177.09116	1.5
178.07768	0.8
179.07042	1.0
179.08537	1.0
181.04921	0.5
181.06473	0.9
181.10062	0.9
182.07210	0.7
183.08031	1.4
185.09619	1.1
186.06728	1.4
187.07567	1.4
187.11124	0.6
187.14868	0.6
188.04797	0.7
188.08336	1.1
189.09129	3.5
189.16362	3.9
191.07022	1.4
191.08662	0.6
191.10611	1.3
191.14307	2.4
192.09244	0.9
193.06563	0.8
193.10156	0.9
195.08124	2.6
197.05943	2.3
197.09641	1.3
198.06731	1.5
199.07498	1.1
199.14885	0.7
201.09096	6.6
201.16391	3.6
203.07040	2.2
203.10651	1.8
203.17958	9.3
204.18724	10.3
205.08540	1.8
207.08009	1.5
207.11678	0.7
208.08813	0.5
209.09587	1.5
210.06604	0.7
211.07527	1.2
212.08318	0.8
213.09077	1.4
215.07098	0.6
215.10678	2.4
217.08490	2.4
219.08133	0.9
219.09991	0.9
221.09624	2.1
223.07515	1.0
223.11205	1.2
225.09096	2.1
226.06302	1.6
227.07018	2.2
227.10677	2.0
229.08569	2.1
229.12271	1.1
231.10190	2.1
233.09584	1.2
234.10460	1.0
235.07500	0.9
235.11194	1.9
237.09016	1.4
239.10725	2.3
240.07831	0.6
241.08575	9.5
241.12308	1.3
243.10155	1.4
244.08653	0.6
245.11546	0.7
246.10477	0.8
247.07687	0.6
247.11215	1.8
249.09016	0.9
249.12770	1.7
251.10652	1.1
252.11447	1.3
253.08676	1.4
253.12276	2.4
255.10065	2.5
255.13826	1.7
256.10852	0.6
257.11673	0.8
257.26633	1.3
261.09341	0.9
261.12759	1.4
263.10712	1.8
263.14389	0.8
265.08423	0.7
265.12476	1.2
266.12909	0.6
267.10168	1.0
267.13779	2.7
268.11057	0.8
269.11737	1.6
273.12546	0.9
276.11340	0.6
277.12289	1.0
278.12979	0.7
279.10376	0.8
279.13864	1.4
280.10669	0.8
281.11734	2.6
281.15384	2.1
282.12595	0.7
283.13428	1.0
289.12219	2.0
289.15680	0.8
291.13852	1.5
292.14514	0.8
293.11682	1.6
293.15396	3.0
294.12469	0.7
295.13284	2.7
295.16953	2.1
305.15375	1.7
306.16080	0.6
307.13370	0.8
308.14050	0.9
309.14844	1.4
319.16928	1.2
319.20511	1.1
320.17743	0.6
321.14853	11.7
321.18240	0.8
322.15335	1.7
323.16501	2.8
329.18878	0.6
331.16919	0.8
335.20148	1.2
336.17181	2.4
337.17850	2.2
337.21606	1.8
346.19293	1.2
347.20123	1.5
349.17853	1.2
351.23221	5.5
361.21661	3.7
364.20319	3.4
379.22665	100.0
379.30515	3.0
380.22958	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	379.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
55.01861	3.5
55.05262	3.1
55.05511	30.2
56.96560	8.8
57.03431	7.3
57.07055	2.9
59.05003	3.2
61.02928	3.7
65.40445	2.1
67.05488	2.4
69.03428	36.7
69.07059	4.7
70.06587	8.5
70.40081	8.0
71.04995	14.1
72.08149	3.9
73.02908	6.1
73.06556	72.8
79.05507	5.0
81.03416	33.5
81.07047	10.4
83.04978	12.8
84.04517	3.9
84.08143	3.7
84.96058	2.9
85.02907	92.3
85.06543	2.6
85.43826	1.9
86.09679	5.8
87.04459	5.6
88.76774	1.9
89.03903	4.1
91.05463	8.5
93.07043	6.1
95.04943	2.6
95.08607	5.1
97.02890	81.2
97.03519	3.9
97.06508	2.6
98.03185	2.0
98.97581	8.4
99.04452	40.3
101.02377	3.6
101.06017	62.5
103.03950	52.8
105.07012	3.2
107.05018	2.3
107.08582	3.2
109.02219	2.7
109.02885	28.1
109.10159	5.0
111.04468	1.9
115.03914	2.8
115.07564	4.8
116.98603	6.1
117.03371	6.5
119.04939	4.9
119.08537	3.3
120.08096	4.7
127.03918	100.0
129.05472	3.5
129.10239	2.5
130.67200	2.1
131.07001	3.4
134.99620	3.7
135.11687	2.0
143.00230	3.0
145.01781	4.3
145.02849	15.3
145.04962	20.1
147.04414	20.6
151.11201	3.1
153.12727	2.8
157.08624	10.9
161.01231	3.6
163.02757	4.1
163.03946	5.0
163.06094	2.9
168.06543	4.7
169.08646	6.2
170.99611	2.0
177.00764	3.8
177.05458	24.6
178.05763	2.7
181.08632	5.2
187.06065	9.1
189.00639	2.2
199.09622	13.9
201.09181	3.4
203.07516	22.9
203.57724	23.0
204.06381	4.0
204.08067	5.6
212.08038	4.6
212.58282	3.2
213.06998	3.4
217.10635	9.4
223.58765	2.2
224.09056	2.6
227.11176	2.8
231.01678	2.1
237.02831	2.7
243.09181	3.4
244.09305	2.5
246.12560	2.2
249.02759	2.4
253.07065	2.6
259.11771	30.2
261.10117	9.5
262.10318	2.4
267.03796	2.0
269.10535	4.3
271.08197	5.1
277.12958	4.3
279.10513	1.9
289.12967	2.3
291.04031	2.4
293.09027	2.7
294.09784	3.4
299.15109	2.3
309.74875	2.5
311.09375	2.3
378.67468	2.5
380.13663	2.1
389.15161	6.2
390.16165	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	379.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
53.26254	0.4
55.01876	3.2
57.03434	2.4
61.02923	0.7
65.03934	2.4
67.05525	0.4
68.99796	1.1
69.03434	12.0
69.74051	0.4
69.84254	2.9
71.01360	0.5
71.04990	2.6
73.02901	1.0
73.42408	0.4
79.05502	1.3
81.03426	7.1
81.81619	0.4
85.02919	10.2
87.00840	0.9
87.04509	0.6
91.05487	100.0
92.05822	1.3
93.07046	1.3
95.04974	0.9
95.08604	0.7
96.90324	0.4
97.02906	4.6
98.20774	0.6
99.04456	7.5
103.03938	4.5
103.05460	1.0
105.07036	5.8
106.71075	0.4
107.04951	1.0
109.02895	5.1
111.04450	1.6
115.05464	1.3
116.06250	1.7
117.07023	4.8
119.08613	2.1
121.06482	0.8
121.10184	0.5
127.03926	9.9
127.04811	0.9
128.06233	2.5
129.05515	0.7
129.07004	9.5
131.08578	56.6
132.08966	0.9
133.06499	1.9
135.04430	0.5
135.08078	0.5
141.06993	1.1
143.03424	1.8
143.08575	4.6
144.05737	0.5
145.05020	4.1
145.06488	5.5
145.10147	0.9
147.08057	1.9
149.09618	4.0
153.06990	1.0
155.04897	2.1
155.08496	0.6
157.06548	1.2
157.10178	0.5
158.07277	0.7
159.08064	5.6
161.09622	1.6
163.03917	2.1
169.06496	0.7
171.08101	4.1
172.11249	0.5
173.06039	3.2
173.09621	2.1
175.07587	2.0
177.09119	3.3
181.06564	0.8
185.09607	0.8
187.06032	1.1
187.07584	0.7
189.04045	0.7
189.09088	0.5
199.07547	8.1
211.11205	1.2
213.03999	6.5
217.08626	4.9
231.05055	4.1
235.09706	1.2
239.10808	0.8
257.11835	1.1
259.09665	0.8
275.12674	0.8
277.10760	1.8
317.00369	0.5
335.14670	0.7
343.11707	0.5
361.12863	4.1
379.13824	1.2
379.21426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16653	0.3
52.91529	0.3
53.03944	1.5
55.01884	0.5
57.03430	2.0
61.02922	0.4
65.03934	0.8
67.05501	0.4
69.03427	14.9
70.06609	0.6
71.04993	2.9
71.59319	0.4
72.08157	0.6
79.05482	1.0
81.03416	8.8
81.07034	0.4
83.04967	0.3
85.02903	8.2
85.07651	0.8
86.09715	1.3
87.00836	1.5
87.10013	0.5
91.05477	48.8
92.05810	0.7
95.04971	0.7
95.08607	0.4
97.02885	3.0
98.31134	0.3
99.04444	5.9
103.05479	0.5
105.01880	0.6
105.07031	3.6
107.04935	0.9
109.02329	0.2
109.02889	2.8
111.00776	0.5
111.04441	1.1
115.03955	0.2
115.05418	0.6
116.06229	2.3
117.07014	0.9
119.08596	0.7
125.02335	0.3
127.03918	6.5
128.06247	0.7
128.90967	0.3
129.07002	5.4
131.08562	100.0
132.08914	1.8
133.06519	0.4
133.10083	0.4
136.11147	0.4
140.72162	0.3
141.06998	0.4
143.03368	1.5
143.08510	1.4
145.04926	1.0
145.10129	0.5
147.08086	0.6
149.09619	6.0
152.05696	0.4
155.07123	0.3
155.08551	0.4
157.06494	0.3
159.08086	1.1
161.09648	0.7
163.03943	0.5
171.02914	0.8
177.00720	0.3
177.09087	6.8
183.08102	0.5
185.09492	0.3
187.05991	0.7
189.03973	1.2
189.09052	0.5
203.05533	0.4
213.03906	3.6
216.02193	0.3
217.36226	0.3
231.05026	5.4
235.33110	0.3
239.10550	0.4
257.11884	0.7
267.15915	0.4
275.12543	0.4
335.14728	0.3
343.11868	0.4
361.12793	6.2
379.13712	0.9
403.85059	0.3
404.80322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01855	0.8
55.05508	1.4
56.05008	0.8
57.03433	1.2
58.89888	0.8
64.75692	0.9
67.05495	2.3
69.03417	2.7
69.07070	1.7
70.06590	1.6
71.05003	1.6
71.60426	1.3
72.08135	0.9
73.02895	1.1
73.11141	0.8
79.05486	2.1
81.03423	10.5
81.07040	3.7
83.04960	1.3
83.92714	0.9
84.04507	1.6
85.02907	3.8
85.06561	0.9
86.09699	1.2
91.05485	10.3
93.07046	3.8
95.04961	1.3
95.08594	3.8
97.02922	1.9
97.06506	2.2
98.97540	1.5
99.04436	1.3
104.05285	0.8
105.07033	3.1
107.04967	1.1
107.08597	2.1
109.10148	1.8
119.04939	0.9
119.08586	2.6
121.06474	1.6
121.10120	1.8
127.03929	2.0
128.06181	0.9
131.08601	1.7
133.10153	1.4
137.05939	1.3
143.08565	1.0
145.02824	2.5
145.10091	1.9
147.04405	2.3
147.08044	0.9
149.05998	1.3
157.10078	1.6
159.11713	1.7
161.05933	1.8
167.07089	2.1
171.08093	0.9
173.13200	1.0
177.05525	4.5
179.06998	3.9
181.05005	9.4
199.14821	1.6
207.06523	10.9
211.11057	1.1
217.15958	1.6
227.95566	1.1
247.98317	0.9
271.04123	1.0
293.09979	2.4
301.10809	1.1
311.09766	1.9
333.13394	4.0
335.10904	22.0
344.84213	1.0
361.13104	1.6
365.87863	1.0
379.10001	100.0
380.10159	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	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62075	0.5
56.96551	0.6
66.57009	0.5
67.05527	0.5
69.03420	0.6
69.07072	0.5
70.06586	1.8
71.59328	0.6
72.08160	0.6
77.95206	0.5
79.05474	0.6
81.03420	4.0
81.07058	0.9
84.04497	0.7
85.02883	1.3
86.09682	1.1
91.05479	10.7
93.07011	0.8
96.73948	0.4
97.02848	1.0
105.07020	0.9
107.08598	1.0
117.03372	0.7
119.01932	1.0
119.08621	1.0
129.10312	0.4
145.02785	0.7
149.09602	0.7
161.02959	0.8
163.03932	0.7
173.02904	0.8
177.05492	2.1
181.04890	0.7
199.14734	0.6
202.05493	0.5
227.05264	0.9
271.04276	2.1
293.10025	3.2
311.09586	1.3
317.10196	0.7
335.11017	24.8
336.11362	1.2
379.09998	100.0
380.10172	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	378.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18131	3.8
54.49893	3.8
55.05518	5.1
66.43678	3.7
67.05507	11.6
69.07091	5.3
69.71229	13.8
69.71650	13.8
79.05482	7.9
81.03394	3.5
81.07054	17.1
91.05491	8.4
92.60081	4.6
93.07043	17.2
95.08610	27.4
98.20834	4.7
99.30223	3.9
100.21084	4.4
105.07043	10.2
107.08604	16.1
109.10159	16.3
111.04439	8.2
119.08585	14.1
121.10153	33.1
130.97304	3.5
131.08673	4.0
133.10117	10.0
135.11685	10.2
143.08658	4.2
145.10153	8.6
147.11711	9.6
149.13275	7.7
159.11717	5.3
163.14809	6.1
173.13266	6.6
199.14778	4.1
201.16331	5.3
203.18042	4.2
231.13686	4.2
245.15309	7.3
255.21146	9.1
283.20453	7.6
290.07465	3.7
301.21613	100.0
302.71024	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	378.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.7
55.49918	1.9
60.21719	1.8
62.47338	2.1
67.05507	8.2
69.07062	8.9
70.63063	5.8
79.05478	3.3
79.60599	1.9
81.07052	8.6
83.05008	2.4
83.08617	4.2
91.05477	4.7
93.07045	17.3
95.08602	50.0
95.09158	3.5
97.10183	2.7
101.09653	2.5
105.07028	11.3
107.08589	18.1
109.10170	15.4
111.04489	3.4
112.16698	1.8
117.07024	2.2
119.08575	13.6
121.10113	12.4
123.11734	3.8
125.05928	2.5
125.09612	2.4
131.08565	5.7
133.10156	10.1
135.08052	3.1
135.11665	14.4
143.08531	2.8
145.06561	2.1
145.10114	10.7
147.11736	5.9
149.13266	7.4
157.10097	4.1
159.11671	10.9
161.09634	2.4
161.13290	4.5
163.14871	2.0
169.10110	3.9
171.11731	5.7
173.09732	4.8
173.13239	4.2
175.11099	2.5
177.09114	2.1
183.11855	2.8
185.13246	3.1
187.11163	4.9
187.14859	3.8
191.10693	6.5
191.14394	2.1
199.14833	4.3
201.16443	3.7
203.10686	3.2
203.17967	5.5
205.10638	2.1
205.12160	9.2
209.15286	2.8
213.12689	4.9
217.12193	2.5
219.13834	4.1
231.13869	6.0
236.11162	2.9
243.12057	4.8
245.15450	6.2
255.21136	8.1
259.16959	3.2
266.62534	2.8
283.20514	10.8
301.21606	100.0
302.21960	4.1
347.25815	8.6
379.28644	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	377.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	32.2
57.07077	44.7
69.07071	81.9
71.06115	19.9
71.08641	42.5
71.59898	5.5
72.04505	12.5
81.07050	7.0
83.08623	48.6
85.10192	23.1
95.08597	5.6
96.61250	4.0
97.10184	46.7
99.05584	100.0
111.11736	53.1
125.13276	10.6
186.25294	4.9
302.54907	4.6
359.34180	9.5
377.35388	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	377.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.7
55.81098	2.9
57.07060	4.5
65.03931	3.1
67.05503	37.4
69.07068	17.1
69.62711	18.1
69.63119	6.1
71.04994	6.2
79.05492	22.4
81.07051	45.3
83.04989	8.1
83.08613	10.0
85.06532	6.6
91.05479	22.4
93.07043	42.1
95.04972	7.2
95.08601	68.2
96.08951	3.2
97.02884	3.8
97.06524	7.8
97.10181	5.2
105.07023	52.0
107.04940	4.1
107.08589	57.0
109.06517	8.8
109.10153	49.2
111.04444	29.0
111.08058	7.1
117.07004	9.5
119.08585	100.0
121.06497	7.9
121.10149	44.0
123.04395	3.9
123.08097	8.0
123.10941	3.0
123.11705	21.0
125.05988	8.5
129.07039	6.6
131.08560	20.6
133.06464	3.5
133.10130	44.4
134.10492	3.3
135.08041	10.5
135.11690	17.0
137.09612	13.7
137.13300	4.3
143.08607	15.2
145.10104	32.8
147.08067	4.5
147.11694	31.5
149.09662	6.2
149.13315	5.0
151.07620	3.6
151.11172	9.4
152.24675	3.1
153.09099	3.4
155.08565	4.8
156.09276	7.2
157.10146	19.5
159.08061	4.0
159.11671	34.8
161.09634	5.9
161.13278	16.6
163.03905	3.2
163.11188	5.1
163.14790	16.8
165.09181	5.9
168.09402	3.5
169.10123	12.1
170.10887	3.2
171.11688	16.7
173.09618	4.1
173.13280	13.7
175.14822	9.7
179.10684	5.0
183.11737	13.2
185.13234	16.0
187.11153	8.4
187.14822	14.4
189.12766	3.4
189.16411	7.4
191.10658	6.8
193.12207	3.7
195.11684	5.1
197.09584	3.4
197.13298	12.3
199.11211	4.5
199.14819	9.0
201.09157	3.5
201.12724	7.2
201.16377	11.3
203.10735	5.1
205.10106	2.9
205.12260	11.8
205.15874	5.1
211.14824	9.1
213.12752	3.5
213.16316	7.8
215.10631	3.9
215.17938	5.2
217.12306	7.4
219.13808	7.9
219.17310	3.9
225.16579	3.5
227.18005	5.0
229.12166	5.2
229.19513	4.9
233.15375	5.1
239.17908	10.6
243.13919	5.8
243.21001	4.3
253.19460	8.4
257.15448	3.9
257.18933	10.4
271.20502	9.1
273.18463	7.9
275.20132	17.3
281.19037	11.6
289.21521	8.9
299.20084	56.8
317.21143	58.2
318.21448	4.0
354.22070	6.9
377.23297	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	377.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01863	1.2
55.05507	9.8
65.03937	1.5
67.05502	8.4
69.03426	3.5
69.07063	11.6
69.65230	8.5
73.32548	1.0
76.17030	1.0
79.05494	13.5
81.03452	1.1
81.07051	23.8
83.04961	2.4
83.08611	2.1
91.04957	1.9
91.05476	21.8
93.07035	30.6
94.07387	1.7
95.04961	4.4
95.08604	18.8
97.02912	3.1
97.06575	1.7
99.08091	14.2
100.42356	1.1
105.07025	50.7
106.07359	1.5
107.04980	1.8
107.08590	45.1
109.06508	8.9
109.10170	5.4
111.04424	3.3
111.08084	1.5
117.07006	1.3
119.04931	3.0
119.08574	31.2
121.06476	2.7
121.10134	23.0
123.08054	7.4
123.11671	4.0
125.05965	3.4
125.09622	100.0
126.09972	2.4
129.07002	1.2
131.08542	3.3
133.06491	2.3
133.10130	22.1
135.08043	3.5
135.11664	2.2
137.05969	7.2
137.13232	2.3
139.07533	1.9
142.07770	4.0
145.10110	3.3
147.08060	2.0
147.11682	68.5
148.12050	1.7
149.09590	2.0
149.13272	13.6
151.07558	7.5
151.11192	2.8
157.10150	6.2
163.11166	3.9
165.09091	1.8
165.12761	12.5
174.42224	1.1
175.11174	39.3
175.12747	1.9
176.11478	2.3
181.12320	1.5
193.12234	43.4
211.13278	25.4
212.13647	1.4
235.13300	2.7
253.14346	20.6
302.59329	1.3
335.22119	1.8
348.14609	1.0
356.13956	2.2
375.48737	1.1
377.23233	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01855	3.1
55.05511	20.2
57.03422	5.2
57.07072	3.0
57.18504	1.3
59.58572	1.3
61.02916	1.3
67.05503	28.7
69.03436	6.7
69.07070	25.1
71.04992	8.0
71.60034	2.2
79.05489	18.4
81.03424	3.5
81.07059	72.9
83.04974	9.1
83.08605	18.3
83.09040	1.4
85.02905	9.9
85.06538	11.1
91.05487	17.2
93.07047	23.5
95.04976	4.8
95.08609	92.2
96.08945	1.4
97.02897	4.0
97.06536	17.8
97.10168	10.9
99.08089	8.2
101.06046	2.1
105.07030	30.9
107.08584	14.8
109.02883	2.2
109.06503	4.1
109.10149	12.1
111.04420	6.2
111.08083	5.4
113.05988	1.5
113.09623	3.9
115.07590	3.5
117.07007	3.7
119.08577	42.1
121.06480	2.2
121.10146	13.7
123.08112	8.3
123.11683	1.8
125.05997	1.9
125.09627	1.8
127.03951	2.4
127.07540	2.1
131.08597	4.5
133.10133	24.0
135.08070	2.5
135.11699	20.9
137.09612	5.5
137.13257	16.1
139.07530	3.3
141.09059	2.4
143.08546	1.9
145.10098	4.7
147.04401	1.7
147.07985	1.8
149.13298	3.3
151.07524	3.5
155.10677	1.6
159.11691	2.6
161.13255	94.0
162.13686	1.8
163.03926	1.5
163.11206	2.0
171.11682	2.2
173.11757	4.3
173.13229	3.1
179.14317	100.0
180.14670	2.0
181.12270	13.0
182.89511	1.3
185.15295	1.8
187.14740	1.4
197.13559	2.8
197.15372	37.9
197.17134	2.6
199.13304	5.0
215.06987	1.7
215.14444	1.9
215.16443	4.1
220.66727	1.5
237.14868	2.1
251.16304	1.7
280.59708	1.6
300.15976	1.4
303.57700	1.6
305.17453	4.4
323.18539	4.0
341.19626	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	377.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57767	3.1
55.01868	5.4
55.05515	23.2
56.96563	3.6
57.03447	5.9
58.09617	3.0
58.35732	2.9
67.05504	32.7
69.03438	15.7
69.07073	27.5
69.89885	22.6
71.04992	9.6
79.05500	25.5
81.03414	14.8
81.07059	71.5
83.04981	12.4
83.08624	17.3
85.02914	15.8
85.06573	8.9
87.00811	5.4
88.04015	4.5
91.05479	29.9
93.07040	29.7
95.04967	11.1
95.08607	100.0
97.02904	14.4
97.06532	16.9
97.10169	9.2
98.21419	3.9
99.04474	3.6
99.08105	9.4
102.05556	8.1
105.07023	35.6
107.08595	21.2
109.02864	5.0
109.06516	4.7
109.10172	15.7
111.04420	5.1
111.08087	9.4
112.77996	3.2
114.53125	3.6
119.08572	48.1
121.10154	14.9
123.08090	8.2
127.03912	12.1
127.26974	3.4
128.06224	5.0
129.07016	4.7
131.08586	10.4
133.06517	4.6
133.10132	33.3
135.08101	7.2
135.11682	27.5
137.05997	6.7
137.13260	15.1
139.07602	3.5
141.09238	3.5
143.08601	5.3
145.10126	13.0
147.04332	3.5
147.11720	6.2
148.06061	6.6
149.05917	4.3
149.09756	3.8
149.13327	8.2
149.33598	3.4
151.07547	7.1
157.10101	5.0
159.11722	8.9
161.02942	4.2
161.09612	3.7
161.13266	80.7
165.05589	4.5
171.11707	5.5
173.09499	4.7
173.13263	6.0
177.00623	3.9
177.09158	5.2
179.14307	94.0
185.13258	4.7
186.10074	3.4
189.09067	4.0
197.15306	34.5
199.14651	4.0
200.23151	3.5
201.09105	3.5
215.16360	6.8
221.05110	3.8
223.07640	3.7
237.14996	4.3
255.10185	3.5
273.11288	7.1
293.09039	3.8
305.17624	8.7
323.18634	22.2
341.19693	4.4
343.76007	4.0
384.05750	3.8
399.64038	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	377.1458
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03942	1.4
53.68571	0.4
55.01873	0.6
57.03444	6.1
61.02928	3.3
69.03433	12.2
69.03809	0.8
71.01340	1.9
71.05002	3.3
71.59540	0.8
71.59872	0.5
73.02916	1.8
75.04487	2.7
81.03418	3.2
81.07056	0.8
96.39600	0.5
99.04459	5.4
117.05508	0.6
131.74686	0.4
137.05986	2.7
143.77966	0.6
145.07585	1.3
151.03944	0.5
170.07155	1.4
172.08708	26.6
174.10237	0.9
179.10703	1.3
186.10269	1.0
190.09799	1.3
197.09528	0.7
197.11732	1.2
198.06621	5.0
200.08183	3.9
200.15134	0.6
214.09584	0.6
216.07703	16.0
218.09370	0.8
243.08792	65.5
244.06940	0.9
244.09138	2.3
274.61996	0.5
359.13586	2.8
370.59271	0.6
377.14581	100.0
378.15067	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	377.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03437	2.1
61.02936	5.9
62.00008	0.8
67.05489	1.1
68.99800	7.5
69.03413	2.7
69.55631	6.3
71.01333	1.7
71.05024	0.7
76.82925	0.8
79.05482	1.6
81.03416	4.9
83.04990	1.1
85.02908	9.5
87.00834	8.2
91.05477	2.2
92.93444	0.7
93.70312	0.8
95.04966	0.8
97.02888	2.7
99.04427	1.0
100.94668	0.7
103.05476	1.7
105.01857	1.3
105.07020	1.3
107.04951	1.7
109.06596	1.1
109.38343	0.8
115.05445	4.0
116.06237	1.7
117.07013	2.3
119.04907	1.3
119.08589	1.1
121.06499	1.7
128.06250	6.0
129.01862	5.8
129.06992	4.0
130.07759	1.5
131.04924	2.6
132.05736	0.9
133.06502	1.7
137.05980	3.7
141.06987	8.4
142.07756	1.1
143.04936	3.7
143.08563	2.9
144.05711	8.0
145.06514	5.0
146.07321	1.6
147.02954	1.2
147.04379	1.8
148.05197	2.3
151.07512	0.9
152.06198	3.6
153.06969	3.4
154.07704	1.0
155.04906	1.4
155.08545	1.6
157.06500	3.0
157.10117	1.2
158.07275	10.6
159.04448	1.9
159.08060	4.8
160.05153	3.8
161.05984	19.9
161.09581	1.8
162.06776	3.6
163.07549	2.1
164.08444	1.1
165.07030	3.1
166.07770	1.5
167.08556	10.0
168.05698	1.4
169.06453	6.7
170.07269	3.5
171.03009	1.3
171.04437	3.5
171.08075	6.9
172.05193	5.3
173.05994	2.8
173.09653	2.2
174.06818	5.1
175.07544	15.3
176.08247	1.1
177.05458	1.2
177.06935	1.5
177.09129	6.3
181.06523	3.7
183.08055	2.1
184.05237	1.2
184.08853	2.7
185.05995	4.5
185.09584	3.8
186.06775	9.2
187.07555	35.0
188.04721	3.8
188.08287	2.2
189.03996	1.4
189.05438	4.8
189.09097	7.7
190.06244	4.6
191.07043	7.3
193.06470	1.1
194.07289	1.5
195.08063	11.5
196.08835	1.3
197.06013	3.9
197.09631	1.1
198.06802	3.6
199.03938	6.3
199.07600	6.5
199.11206	2.1
200.04660	1.1
200.08209	1.9
201.09113	58.2
202.06334	0.8
202.09721	1.9
203.07030	2.1
203.10661	5.9
204.07826	1.5
209.09581	1.9
211.07550	2.1
212.08336	4.7
213.05618	1.4
213.09093	9.9
214.06238	9.2
215.07063	1.9
215.10683	6.2
217.04942	9.9
217.08521	2.1
217.12111	1.5
217.18967	0.9
223.07521	4.3
225.09097	1.7
227.07071	2.3
227.10680	35.1
228.11061	2.0
229.08597	11.0
231.10170	11.9
232.07335	24.6
233.07649	1.1
237.09169	2.5
240.07687	1.8
241.08614	2.0
243.10138	2.3
245.08044	1.1
245.11710	3.8
255.10172	33.6
261.11301	1.6
273.11224	100.0
274.11636	2.9
291.12250	4.2
299.09100	1.2
359.11234	2.4
361.64197	0.9
377.12332	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	377.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.3
62.34989	2.8
70.48572	7.5
71.04985	10.5
84.04501	5.6
84.08118	3.8
85.02898	11.1
87.10055	4.3
97.02890	3.0
100.48582	2.8
103.05941	3.1
103.56238	2.9
119.01904	4.8
119.05827	3.0
127.03918	26.9
128.04245	5.6
129.04393	8.8
129.10260	3.8
145.18787	2.8
152.64014	3.4
161.02950	6.3
163.03888	10.1
165.02545	2.9
173.02960	4.2
184.67198	2.8
213.02516	3.5
215.05255	5.9
263.06003	3.2
377.08746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01867	1.7
56.96557	2.0
57.03428	1.9
59.06118	2.6
60.04501	0.7
61.01160	0.7
61.02929	3.1
61.03181	0.6
63.56050	0.6
65.03941	1.3
68.05016	2.2
68.74229	0.6
69.03435	5.7
69.07071	0.8
70.06594	1.1
71.04987	1.0
71.60203	1.3
72.08169	0.6
74.06068	1.0
75.08286	0.7
79.05489	0.7
81.03409	2.5
81.07059	0.9
82.06583	0.8
84.04498	2.0
85.02911	25.0
85.07663	1.0
86.09709	3.9
87.04479	0.8
91.03954	1.3
91.05483	8.3
93.07043	2.0
95.04997	1.2
96.04531	0.8
97.02892	7.6
98.97583	2.2
99.04446	1.3
102.05556	0.8
105.07019	1.1
107.08561	0.8
109.02866	2.3
109.07643	0.7
111.08075	1.0
116.07101	1.4
116.98542	1.2
119.04955	12.2
120.05319	0.6
122.03619	0.7
126.10278	24.6
127.03922	12.0
128.04266	4.7
128.98573	1.4
133.10141	0.9
134.08121	1.6
134.99641	1.4
135.11728	1.8
137.05980	100.0
138.06354	1.7
145.02831	0.6
145.04977	6.2
146.99675	2.1
147.04411	39.2
148.04779	3.3
151.03897	1.9
151.07526	1.1
161.01215	0.7
161.09528	0.9
177.00722	0.7
177.05499	1.1
179.07043	36.5
180.08676	2.2
197.08063	6.2
197.09448	0.6
214.10924	1.3
215.10416	0.9
215.13950	1.7
219.01785	1.9
237.02840	5.7
241.03674	0.7
257.92126	0.6
287.07968	2.1
290.06689	1.0
340.18713	1.6
376.15182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73299	3.1
51.41955	3.5
53.04653	2.9
53.19407	2.7
55.01876	7.9
55.05515	22.0
57.03416	5.2
57.07084	4.4
59.04988	7.6
66.83863	3.1
67.05519	39.7
67.69292	2.9
69.03426	13.0
69.07069	24.9
71.04974	11.1
71.60571	7.4
77.05502	3.3
79.05501	30.8
81.03428	7.5
81.07059	100.0
82.07372	4.1
82.90563	3.3
83.04987	8.5
83.08625	13.8
85.02889	9.9
85.06537	7.7
85.66794	3.2
86.09720	3.7
91.05487	30.9
92.56480	3.6
93.07047	58.8
95.04976	16.5
95.08614	78.8
96.56117	3.4
97.02905	9.0
97.06539	12.7
97.10152	8.8
99.04421	4.7
99.08128	6.8
103.05452	10.5
105.07037	52.9
107.04959	10.3
107.08601	47.7
109.02895	4.1
109.06537	12.1
109.10168	55.0
111.04491	17.5
111.08082	16.3
113.09675	3.8
115.05513	4.6
116.44258	4.0
117.07050	5.9
119.04864	4.3
119.08592	45.3
121.06490	5.6
121.10149	54.9
123.04412	7.4
123.08086	10.0
123.11720	31.5
125.09629	10.8
127.03921	74.7
128.04265	5.2
131.04924	5.8
131.08572	19.6
133.06519	6.7
133.10138	53.0
135.08055	9.2
135.11700	22.5
137.05998	15.6
137.09636	17.1
137.13280	7.2
139.03906	8.3
139.11154	6.3
143.08530	6.1
145.10085	22.1
147.11685	29.8
149.05951	3.8
149.09633	9.1
149.13254	16.5
151.03947	5.0
151.07613	7.4
151.11159	4.0
153.05499	5.2
157.10179	10.5
159.04333	4.5
159.11710	15.6
161.06085	3.8
161.13258	12.2
163.07578	5.3
163.11214	4.0
163.14911	4.3
165.12724	3.9
167.07076	39.6
168.07443	4.3
171.11714	8.6
173.13298	10.8
175.07576	12.3
175.14807	5.2
177.09138	12.0
177.16443	15.4
181.04993	6.8
185.13274	8.7
187.14851	9.8
189.16431	15.9
189.27362	3.8
193.08623	5.5
199.14915	5.4
201.16388	10.8
203.07042	6.8
203.17967	11.9
213.16510	9.2
215.17995	13.9
221.19037	4.8
226.74084	3.7
227.17924	6.6
231.17529	5.9
233.19144	5.5
237.18341	5.2
245.19231	5.3
249.18494	22.0
251.20259	8.8
263.19992	6.7
281.21078	6.1
303.23050	7.5
321.24249	9.9
357.13464	7.2
375.14694	40.6
375.30612	4.3
376.25586	16.3
397.60803	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	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.4
53.46889	3.0
55.05505	12.8
57.03426	3.6
57.07066	3.2
59.45883	3.3
65.03935	3.7
67.05514	27.7
69.03429	3.3
69.07059	15.7
69.26646	39.8
74.95084	3.0
79.05505	25.9
81.03374	4.3
81.07056	55.0
83.04968	3.4
83.08632	4.1
84.04502	11.3
85.11700	2.9
91.05484	57.9
93.07040	70.9
95.04967	41.1
95.08610	41.0
97.06595	6.7
103.05495	5.7
105.07027	100.0
107.08590	51.2
109.06531	14.3
109.10149	28.4
115.05452	5.1
117.07013	17.6
119.08580	82.3
121.06503	12.4
121.10145	70.9
123.08066	6.6
123.11725	9.6
127.03915	4.3
128.06169	5.5
129.06990	13.5
130.05008	13.3
130.07803	7.3
131.08568	45.4
133.06514	5.2
133.10129	40.8
135.07863	3.1
135.11688	13.8
141.06990	6.4
142.07799	14.9
143.08577	29.0
144.09334	7.4
145.10129	56.3
147.07663	5.1
147.11693	21.1
155.08568	7.3
156.09334	8.8
157.10130	42.3
158.10825	3.5
159.08008	4.4
159.11717	34.7
161.09633	15.2
161.13234	4.5
167.08545	6.5
169.10101	18.4
170.10825	3.9
171.11642	14.5
173.13257	22.4
175.11209	5.2
175.14836	9.1
179.08572	4.5
181.10136	7.1
181.40875	3.5
182.10927	5.8
183.11693	11.1
185.13327	8.6
187.11221	6.5
187.14857	11.7
193.10143	5.2
194.10924	5.1
195.11687	9.6
197.13280	10.3
199.14824	7.0
201.16394	4.8
207.11766	4.1
209.13197	8.4
210.14113	3.9
211.14905	5.3
223.14722	6.2
225.16330	4.6
235.14832	4.8
237.16476	3.8
243.12181	5.5
253.19466	6.8
273.13065	9.5
332.77008	3.4
375.26764	28.5
375.30835	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	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.3
53.62535	2.7
55.01884	2.8
55.05511	15.6
57.07058	3.8
57.46392	2.7
62.79695	3.3
65.03938	3.7
66.93317	2.8
67.05508	23.4
69.07082	14.8
70.96240	7.2
79.05494	32.8
81.07056	62.4
82.14784	2.8
83.08622	6.4
91.05485	47.0
93.06476	4.7
93.07049	78.2
94.26971	2.6
95.04375	3.8
95.04967	41.1
95.08055	4.3
95.08615	47.2
95.45653	2.7
97.06533	10.2
103.05432	4.2
105.07034	100.0
107.08602	45.9
109.06493	7.8
109.10159	28.3
110.73391	3.6
115.05472	4.7
117.07020	19.7
117.12473	2.9
119.08585	78.3
121.06532	16.2
121.10147	73.6
123.08032	7.9
123.11723	9.3
128.06242	6.9
129.06982	10.3
130.07811	6.6
131.08580	44.9
133.10127	42.2
135.08067	5.3
135.11674	17.1
141.07042	5.8
142.07805	19.6
143.08551	30.0
144.09360	8.8
145.10132	62.8
147.08084	4.2
147.11687	21.4
149.13245	4.1
155.08542	10.5
156.09364	7.8
157.10136	48.2
158.10828	3.8
159.11700	30.8
161.09612	11.8
161.13248	8.6
165.07097	3.9
167.08578	8.2
168.09308	4.1
169.10121	18.8
170.10851	3.4
171.11748	14.3
173.13283	16.3
175.11180	10.0
175.14861	8.8
179.08546	7.2
181.10123	10.4
182.10811	4.8
183.11702	11.8
184.12404	2.8
185.13240	6.1
187.11165	7.0
187.14806	12.2
193.10068	3.4
194.10892	4.5
195.11722	9.4
197.13268	11.6
199.14793	9.3
201.16316	3.5
207.11684	5.2
209.13300	10.7
211.14835	10.7
221.13220	5.4
223.14778	5.1
225.16315	4.1
235.14894	4.9
239.17950	3.5
240.18877	3.5
248.75111	2.8
249.16310	3.4
253.19604	7.5
291.21179	2.9
347.27313	3.3
357.25748	5.4
375.26816	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	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.7
55.05508	18.7
57.07082	4.9
65.03940	4.5
67.05505	32.4
69.07059	17.9
70.54334	7.2
70.54717	6.7
73.86269	3.2
76.70913	3.0
79.05489	34.6
81.07054	51.0
83.08649	4.2
91.05476	58.1
93.07044	85.0
95.04952	44.3
95.08604	40.1
97.06523	9.8
103.05495	4.0
103.34983	3.6
105.07037	100.0
105.85682	3.7
107.08599	47.7
109.06512	9.0
109.10179	27.7
115.02193	3.4
115.05386	4.9
117.07017	20.6
119.08578	90.6
121.06534	19.1
121.10133	61.3
123.08042	8.0
127.03957	5.6
128.06232	10.3
129.06985	16.1
129.67708	3.8
130.07732	5.4
131.08574	42.3
133.06456	3.5
133.10123	47.8
135.08061	6.4
135.11667	15.9
141.06987	6.6
142.07796	19.5
143.08565	33.2
145.10126	65.2
147.08008	5.0
147.11682	19.5
155.08560	6.0
156.09346	6.6
157.10121	44.2
159.11699	30.1
161.09612	11.4
161.13278	6.0
162.43665	3.8
167.08614	4.3
168.09346	5.1
169.10126	15.2
170.10945	5.4
171.11673	14.7
172.12508	5.7
173.09703	4.3
173.13264	18.3
175.11183	7.3
175.14825	16.6
179.08562	6.6
181.10112	15.4
183.11725	15.1
185.13242	9.1
187.11206	6.8
187.14798	15.3
193.10201	4.9
194.10905	6.3
195.11696	10.3
197.13252	9.7
199.14897	9.1
201.16396	5.1
209.13286	10.5
211.14917	4.9
213.16438	4.0
223.14793	6.0
235.14771	5.5
239.17979	5.5
241.19576	5.1
251.18011	6.0
253.15895	6.1
266.20322	4.7
347.27325	4.4
357.25195	4.7
375.26782	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2531
Annotation	Corymbi-7,13E-dienolide
Peak:m/z	Relative Intensity
53.03948	4.2
54.77741	3.6
55.05505	15.6
57.03449	7.5
59.12828	3.7
59.13136	3.5
61.62578	4.0
67.05507	39.8
69.03441	6.5
69.07057	16.6
69.89979	24.7
69.94249	3.8
77.02312	4.5
79.05500	33.4
81.03431	4.7
81.07063	43.2
83.04987	7.3
83.08622	5.6
83.48228	4.3
91.05490	29.0
93.07041	36.2
95.04980	13.2
95.08618	30.4
97.06512	7.5
105.07027	31.8
107.04958	5.0
107.08591	22.1
109.06553	5.6
109.10172	13.2
117.07034	9.1
119.08591	26.4
121.10153	12.4
123.08064	13.7
127.03925	6.5
127.76615	4.7
129.06966	5.5
129.79008	3.7
131.08575	18.0
133.06473	4.5
133.10132	19.4
135.08037	9.2
135.11708	8.5
143.08582	9.3
145.10133	15.0
147.11664	11.4
155.08527	7.2
157.10144	10.8
159.07993	4.6
159.11678	9.0
161.09700	5.4
171.11732	4.2
173.13306	7.7
175.11256	7.1
185.13142	4.6
197.13194	7.8
201.12691	6.1
321.22293	4.8
329.24826	5.5
339.23157	9.2
345.23923	4.0
357.24301	20.8
375.25235	100.0
375.36539	8.5
376.25571	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	375.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64952	3.0
54.09000	2.7
55.05493	4.3
56.05028	3.2
56.96558	4.8
57.07059	8.2
58.06589	5.1
61.64922	3.3
64.90197	3.0
65.41908	4.5
67.05493	6.8
69.07050	6.7
69.84244	3.8
70.06531	3.1
70.72722	3.0
71.57903	3.9
71.58278	4.4
72.75520	3.7
74.06078	5.6
79.05486	7.5
81.07035	8.8
88.07623	21.6
91.05472	4.2
93.07041	6.8
95.08638	18.7
97.10178	3.8
105.07027	10.8
107.08602	8.4
109.10127	9.0
111.04423	7.1
113.00072	3.6
119.08553	10.9
121.10130	11.3
127.03906	5.3
133.10121	8.5
135.11655	5.1
147.11681	4.2
157.10143	5.8
159.15936	3.4
169.02576	4.6
171.11670	3.5
245.15431	3.6
296.55789	3.2
301.21600	13.2
313.33060	6.4
319.22681	9.1
327.34500	17.3
335.18887	4.1
353.20013	13.0
375.31479	5.2
375.36612	100.0
376.21582	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	375.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24040	0.3
53.03918	0.3
55.05513	1.7
56.96553	0.5
65.03917	0.4
67.05487	1.3
69.03425	0.5
69.07056	1.3
71.04975	1.1
71.59038	0.4
71.59444	0.5
76.49245	0.3
76.59150	0.4
79.05495	2.7
81.03406	0.3
81.07061	2.5
83.04972	1.3
83.08614	0.7
85.06525	0.4
91.05470	4.8
93.07047	2.6
95.04955	0.7
95.08620	2.9
97.06517	0.9
97.10172	0.4
99.08071	0.4
101.02312	0.4
101.06025	0.3
105.07028	3.7
107.04952	0.5
107.08593	9.4
108.51320	0.3
109.06531	2.2
109.10164	2.4
110.04750	0.4
111.08041	0.4
115.05441	3.0
117.07024	3.8
119.06032	0.4
119.08570	2.6
121.06493	2.1
121.10144	2.6
121.78402	0.4
123.08070	1.3
123.11722	1.2
127.03912	1.0
129.06934	0.3
131.08580	0.9
133.10136	6.2
134.99678	0.4
135.08052	100.0
135.11577	1.8
136.08376	2.7
142.07880	0.4
143.08597	0.5
145.10135	1.2
147.08064	0.8
147.11653	1.2
149.09608	1.5
149.13260	2.9
151.11185	2.4
155.08652	0.3
156.09273	0.4
157.10130	0.9
158.10669	0.4
159.08038	0.7
159.11688	2.0
161.09627	1.1
161.13243	0.7
167.14360	0.4
171.11745	0.4
172.08794	0.4
173.09660	2.1
173.13281	2.7
175.11234	1.2
175.14963	0.4
183.11678	1.1
184.12340	0.6
187.11230	2.5
189.12706	0.7
195.11696	0.4
197.13293	0.6
199.14857	1.7
201.12766	1.7
205.15878	0.4
215.14365	0.9
217.15904	0.5
229.19438	0.4
239.18007	0.8
257.19028	3.6
275.20096	3.4
276.20358	0.5
318.86780	0.3
375.21335	1.6
375.26208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2377
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
52.37954	1.3
53.03946	4.5
55.01888	6.7
55.05511	18.0
56.96554	1.6
57.03435	8.3
57.07060	4.0
59.04996	3.5
59.95867	1.6
61.02936	11.2
67.05505	9.4
69.03430	30.0
69.07068	44.8
69.37750	14.1
71.04994	11.8
73.02901	6.5
79.05497	5.7
81.03417	13.7
81.07059	36.9
82.07365	1.8
83.01353	2.1
83.04977	8.9
83.08627	8.2
85.02908	76.2
85.06541	22.4
87.04463	6.6
91.03939	3.9
91.05483	2.1
93.07048	14.0
95.08607	44.4
97.02894	29.1
97.06528	5.2
97.10159	9.3
99.04451	4.8
99.08092	23.6
102.60396	1.5
105.07007	3.1
105.29469	1.4
107.08600	27.6
109.02885	8.7
109.06516	1.9
109.10157	17.2
111.08071	2.9
111.11711	6.9
113.09638	8.2
115.03979	1.8
119.08575	2.0
121.10145	34.2
121.11021	2.0
122.10531	1.6
123.11696	9.3
125.09630	5.4
127.03917	23.0
127.11201	2.3
131.04959	2.4
133.10109	1.8
135.11720	16.5
136.93156	2.6
137.05994	2.4
137.13248	21.0
139.11201	8.8
140.11571	1.3
145.04964	12.2
145.10141	1.5
149.13240	5.0
151.14821	4.6
153.12720	12.9
154.94167	5.1
172.95197	13.2
177.16393	100.0
178.16693	4.0
179.06947	1.9
190.96321	9.1
195.17450	45.7
213.18507	65.6
214.18814	2.0
241.03883	2.5
242.97350	2.1
280.07208	1.8
291.06613	5.5
292.07056	12.0
293.02618	2.4
293.06406	1.4
309.07889	1.8
310.08093	3.8
312.83221	1.8
315.08670	1.9
375.11691	1.7
375.23831	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	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
52.60118	0.7
53.03932	1.4
55.01867	5.0
55.05510	11.2
57.03421	1.9
57.07068	1.7
59.04984	0.7
61.02914	2.8
67.05502	6.7
68.63088	0.7
68.69675	0.6
69.03427	8.5
69.07063	13.0
70.06597	1.1
71.04990	10.8
71.60014	0.6
71.60413	0.8
73.02907	1.3
79.05495	6.2
81.03423	3.5
81.07058	16.0
83.04988	1.2
83.08618	12.0
85.02907	16.8
85.06522	3.3
86.09702	2.5
87.04474	2.2
87.68885	0.7
91.03960	0.8
91.05476	4.0
93.07052	12.9
95.04951	1.7
95.08605	28.0
96.08973	0.8
97.02898	6.6
97.06531	13.3
97.10172	11.5
99.04455	1.8
99.08096	21.2
99.08746	1.1
103.05379	0.7
105.07001	3.1
107.08595	30.0
108.08888	1.2
109.02891	3.2
109.06508	1.8
109.10157	7.7
111.08080	9.6
113.09643	1.5
117.06963	1.0
119.04935	1.2
119.08587	2.3
120.08131	1.0
121.10145	43.6
122.10458	1.8
123.08082	0.9
123.11675	1.4
125.09637	8.9
127.03910	16.3
131.04912	0.9
131.08548	1.0
133.10172	1.4
135.08086	1.2
135.11691	10.5
137.05957	2.1
137.09677	0.6
137.13260	6.4
139.11168	1.6
145.04997	2.2
147.04408	0.9
149.13240	4.2
151.07481	0.8
157.10056	0.7
159.11623	1.3
161.08234	0.6
161.13286	0.7
167.06981	1.7
175.07574	0.6
177.16386	100.0
178.16705	5.2
195.13808	7.1
195.17464	17.7
196.17853	0.8
197.59180	0.7
209.42934	0.6
213.14879	59.7
213.18449	41.2
214.15215	2.9
214.18198	2.6
237.14810	2.0
242.09274	0.9
255.15895	1.1
375.13800	1.5
375.18597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
55.05507	5.7
57.07075	2.2
67.05497	3.6
69.03416	3.3
69.07077	15.5
70.06577	1.3
70.93053	2.4
70.93394	1.5
71.04984	3.3
79.05495	4.2
81.03419	1.6
81.07064	19.6
83.04980	1.3
83.08633	6.9
85.02923	8.0
85.07628	1.3
86.09701	2.5
86.68870	1.5
91.05478	3.9
93.07062	10.8
95.04974	2.6
95.08611	28.0
97.02898	2.9
97.06541	1.5
97.10181	3.9
98.21453	1.3
99.08102	21.5
105.07035	4.1
107.07870	1.7
107.08595	25.4
109.02890	1.7
109.10152	10.2
111.08072	7.0
119.08562	1.5
121.10153	47.1
121.11034	3.0
123.11698	1.7
125.09625	5.1
126.10289	1.2
127.03079	1.2
127.03897	8.2
131.82379	1.4
135.11714	10.0
136.93173	2.0
137.05968	2.0
137.13245	7.4
142.12166	1.1
146.77875	1.5
149.13271	3.0
154.94186	5.2
167.07086	2.8
172.95268	9.7
177.09128	1.3
177.16397	100.0
178.16733	4.7
190.96304	4.9
195.17458	19.5
213.16435	2.1
213.18510	40.9
214.18973	1.6
269.08978	1.2
291.03674	1.2
291.06677	5.2
292.07080	7.9
293.02576	1.5
299.60345	1.2
309.07773	1.9
310.08066	2.9
328.64041	1.2
339.67972	1.3
375.11798	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.2
55.05513	11.3
57.07075	2.5
65.03925	2.8
67.05506	38.8
69.03446	11.2
69.07075	23.0
70.55219	4.4
70.55618	3.4
75.80249	1.9
79.05495	21.2
81.07056	41.2
83.04968	6.4
83.08602	5.6
91.05480	30.0
93.07044	37.6
95.04963	7.4
95.08613	58.1
97.02884	9.5
97.06539	17.7
97.72338	1.9
99.08086	5.0
103.05476	2.7
105.07031	57.7
107.04950	6.7
107.07868	2.9
107.08601	51.9
109.06526	18.0
109.10162	77.9
111.04443	17.9
111.08085	3.6
115.05454	2.7
117.07032	10.7
119.08588	100.0
121.06525	10.6
121.10155	31.8
123.08056	18.6
123.11710	11.3
128.06209	4.9
129.06984	4.3
131.08604	15.4
133.06503	38.2
133.10135	65.6
135.08052	15.4
135.11691	11.8
137.05959	4.1
137.09607	10.8
137.13243	9.3
139.07584	2.5
142.07788	5.8
143.08578	16.5
144.09256	2.4
145.06516	2.5
145.10143	19.7
147.08052	39.7
147.11693	7.2
148.08595	2.2
149.05966	3.8
149.09639	5.5
149.13242	2.6
151.07587	2.9
151.11163	5.7
156.09300	4.0
157.10132	15.2
159.08096	2.2
159.11714	14.6
161.09616	39.1
163.07529	4.9
163.11160	8.4
165.09126	42.0
167.08540	2.8
169.10123	8.1
171.08063	5.1
171.11726	11.4
173.09700	4.3
173.13280	11.7
175.07547	2.3
175.11186	3.5
175.14830	3.7
177.09100	3.4
179.10681	28.5
181.10210	3.1
183.11690	4.1
185.09674	4.3
185.13217	5.5
187.11220	7.0
187.14742	2.5
189.09131	27.8
195.11700	7.0
197.13255	2.6
199.11185	6.5
199.14845	7.9
201.12741	4.1
203.10677	3.1
205.12234	6.5
207.10147	32.3
209.11612	2.7
213.12787	5.1
213.16351	2.9
217.12221	3.6
219.13786	8.8
223.11276	2.8
225.11108	3.0
225.16338	4.2
227.18019	3.5
237.16376	5.4
245.11800	3.7
249.11232	24.9
251.17964	6.0
255.13803	3.9
255.17386	9.9
267.12238	30.3
269.18997	10.9
271.16928	2.2
273.18576	8.1
279.17484	6.3
287.16495	3.4
287.19797	4.1
297.18506	25.3
315.19565	39.5
329.21024	3.3
357.20599	3.3
375.21640	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	375.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01859	4.5
55.05510	19.5
65.03934	6.0
67.05515	40.1
69.03432	20.7
69.07069	30.7
70.47674	15.2
71.04998	5.4
79.05493	29.3
81.03395	7.1
81.07063	37.5
83.04974	10.7
83.08616	9.2
85.02892	11.8
87.00810	7.9
91.05480	28.8
93.07043	47.0
95.04972	17.8
95.08608	72.8
97.02904	25.6
97.06537	17.1
97.10159	4.6
99.08092	5.8
99.94042	3.5
103.05486	7.1
105.07030	63.6
107.04980	7.4
107.08595	72.2
109.02852	5.8
109.06507	17.0
109.10158	77.6
111.04444	29.8
111.08108	3.7
117.07005	13.4
119.04942	3.3
119.08588	100.0
121.06496	13.5
121.10151	38.3
123.08068	19.8
123.11691	12.0
125.09609	4.3
127.03915	93.9
128.04213	4.6
129.06985	8.9
131.08569	18.8
133.06506	62.8
133.07512	3.1
133.10129	55.8
135.08060	14.5
135.11690	15.6
137.09602	6.3
137.13251	6.8
143.08609	20.5
145.10133	34.2
146.50890	3.2
147.08014	28.7
147.11673	13.6
149.09604	5.5
149.13293	4.5
151.11153	6.6
155.08531	5.4
155.80373	4.4
156.09308	7.5
157.10114	28.0
159.11703	26.2
161.09599	23.8
161.13298	7.5
163.11191	9.0
163.14853	5.8
165.09131	28.5
167.07074	8.7
167.08511	5.9
168.09227	4.4
169.10043	7.4
170.11021	4.7
171.11705	18.6
173.09561	8.3
173.13228	15.4
175.07588	4.2
175.14813	4.4
177.09058	5.2
179.10616	25.7
181.10141	6.8
182.10703	4.1
183.11676	14.6
185.09630	4.7
185.13252	18.7
187.11180	10.7
187.14841	16.8
189.09120	24.9
195.11685	9.5
197.13197	6.5
199.11227	7.2
199.14790	12.7
201.12802	4.8
201.16360	4.2
203.10680	4.6
207.10147	30.0
209.13332	7.2
211.14917	4.9
213.12726	6.0
213.16380	4.4
217.12115	4.7
219.13896	11.8
225.16379	5.0
227.14211	4.2
227.17944	11.6
237.16354	7.2
239.17900	4.9
249.11084	16.2
251.17955	9.9
253.15782	3.7
255.17450	7.0
267.12189	18.8
269.18964	13.3
273.14938	4.0
273.18451	9.2
279.17404	9.8
279.20648	3.4
287.16559	5.9
287.20074	6.4
297.18497	39.2
315.19589	40.7
357.20346	7.9
375.14343	5.0
375.21503	18.8
375.30444	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2167
Annotation	12-Deoxy-7,7-dimethoxy-6-ketoroyleanone
Peak:m/z	Relative Intensity
52.12038	5.3
55.05509	13.8
56.16922	4.8
57.03426	5.7
57.53203	4.3
67.05506	43.6
69.03429	21.5
69.07071	28.3
69.85939	16.6
69.86359	8.6
70.74723	4.7
76.19725	4.9
79.05501	33.6
81.07066	47.5
82.68179	4.1
83.04971	10.6
83.34549	3.7
85.31532	4.4
91.05487	39.7
93.07034	53.4
95.04980	9.5
95.08615	75.5
97.02881	13.1
97.06567	19.8
99.08069	7.0
105.07040	58.1
107.04959	8.0
107.08592	54.6
109.06507	18.6
109.10156	94.9
111.04426	24.4
117.07019	7.4
119.08593	100.0
121.06479	9.1
121.10167	31.8
123.04469	5.2
123.08064	15.9
123.11671	15.2
125.05980	4.6
127.03905	26.9
129.07034	7.9
131.08554	19.6
133.06506	54.1
133.10152	67.2
135.08099	20.8
135.11710	13.7
137.05983	6.4
137.09602	9.9
137.13219	8.2
142.07767	6.0
143.08566	17.9
145.10179	26.9
147.08031	43.7
147.11670	11.1
149.09612	9.6
151.07600	6.1
151.11169	8.9
155.08626	9.6
156.09288	7.6
157.08929	5.4
157.10097	27.7
159.08147	4.7
159.11674	26.9
161.09644	44.5
163.07487	7.9
163.11174	10.3
163.14763	6.2
165.09146	32.9
167.07053	4.8
169.10104	6.2
171.11681	14.8
173.09619	5.7
173.13318	15.1
175.11192	6.7
175.14899	4.4
179.10669	24.5
183.11717	5.5
185.09598	6.4
185.13274	10.3
187.11201	9.0
189.09140	31.6
195.11708	9.1
199.11148	12.3
199.14804	10.8
201.12711	9.6
203.10774	6.3
205.12151	7.6
207.10175	26.9
209.13388	6.5
213.12782	6.5
213.16318	6.1
219.13759	12.4
221.11739	4.1
223.14705	5.3
223.88008	4.6
237.12674	5.5
245.11699	6.5
249.11150	24.2
251.17886	8.0
255.17480	15.1
267.12207	26.2
269.18930	11.4
273.18512	8.4
279.17490	9.6
281.02414	4.7
287.16351	8.9
287.20065	7.2
297.18555	44.8
315.19583	45.8
357.16565	8.7
357.20535	6.2
366.15189	4.7
375.11713	7.9
375.21466	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	375.2168
Annotation	Excisusin E
Peak:m/z	Relative Intensity
53.03932	4.8
55.01873	4.7
55.05507	13.2
55.53052	1.9
57.07079	3.9
62.99277	2.5
65.03947	3.7
67.05507	38.8
69.03424	12.2
69.07072	20.1
70.32005	8.9
79.05498	23.0
81.03394	2.9
81.07058	34.0
83.04977	9.1
83.08618	5.0
91.05479	34.0
93.04736	2.1
93.06474	3.1
93.07044	45.9
95.04976	9.7
95.08609	61.0
97.02904	11.4
97.06545	11.9
99.08065	4.0
105.07032	55.6
107.04967	6.7
107.08593	58.6
109.06511	21.5
109.10156	76.4
111.04436	15.1
111.08081	3.4
117.07037	11.3
119.08581	100.0
121.06516	11.0
121.10141	34.9
123.04456	2.8
123.08064	21.4
123.11685	11.6
125.09633	3.1
127.03907	9.9
128.06229	3.0
129.07013	4.8
131.08583	17.7
133.06503	58.2
133.10130	67.9
135.08052	17.9
135.11726	13.6
137.05994	6.7
137.09627	8.6
137.13237	7.7
142.07817	5.3
143.08585	15.7
145.06476	3.3
145.10118	20.9
147.08054	33.8
147.11708	5.9
149.06027	2.8
149.09608	7.8
151.07529	4.4
151.11182	8.8
155.08603	4.6
156.09351	4.4
157.10114	13.0
159.07983	2.3
159.11702	14.5
161.09618	32.2
161.13254	5.9
163.11205	9.6
165.09123	38.9
167.07138	3.0
169.10143	5.3
171.07968	2.5
171.11720	11.5
173.09627	6.4
173.13257	10.9
175.11201	3.8
175.14798	3.0
177.12791	2.9
179.10692	25.8
181.10138	2.8
185.09647	9.5
185.13301	6.1
187.11221	7.5
187.14859	5.7
189.09111	29.2
191.10770	2.8
195.11702	5.1
197.13289	5.5
199.11194	8.1
199.14871	7.0
201.12666	6.1
203.14406	2.9
205.12286	4.0
207.10115	35.1
209.11615	3.7
209.13426	3.6
211.14792	6.2
213.12723	4.2
217.12114	3.5
217.15907	2.9
219.13824	7.1
225.16418	2.6
227.14224	4.3
227.17944	4.9
237.16367	5.3
245.11836	3.0
249.11227	29.0
251.18010	2.9
255.17531	5.8
267.12286	29.7
269.19031	7.2
271.20227	2.5
273.14920	2.2
273.18506	5.8
279.17462	7.5
281.90698	2.2
287.16656	2.4
287.20029	8.1
297.18506	29.0
307.13290	2.3
315.19577	35.9
315.23065	4.2
329.20981	3.5
345.13452	3.0
375.21478	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	375.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.05502	14.3
55.83526	3.8
65.03921	4.4
67.05506	39.3
69.03425	10.8
69.07066	24.0
69.59377	6.9
69.59781	20.1
79.05489	23.6
81.07050	35.9
83.04992	5.7
83.08624	5.3
91.05473	36.1
93.07035	47.8
93.95020	3.1
95.04987	9.0
95.08042	6.1
95.08604	67.0
96.27393	2.9
97.02889	11.3
97.06521	16.4
99.08073	4.2
105.07025	59.4
107.04882	3.9
107.08598	56.4
109.06499	18.1
109.10152	87.8
111.04443	14.5
111.08029	3.3
115.05457	4.4
117.07019	11.8
119.08572	100.0
119.13806	2.8
121.06507	9.9
121.10139	32.8
123.08059	18.4
123.11693	11.4
128.06149	3.4
129.07016	6.5
130.07826	3.9
131.08565	11.3
133.06487	48.2
133.10123	68.7
135.08046	17.1
135.11688	13.3
137.05992	4.4
137.09610	9.4
137.13240	4.9
142.17662	3.1
143.08533	18.3
145.06532	4.2
145.10104	21.8
147.08038	45.7
147.11671	7.3
149.09596	11.0
151.11212	8.9
155.08601	3.7
156.09380	5.1
157.10123	17.9
159.11725	16.2
161.09610	50.0
161.13223	4.7
163.07597	5.3
163.11206	10.1
165.09111	40.8
169.10129	3.8
171.11720	13.5
173.09676	6.9
173.13284	13.8
175.11134	4.8
175.14688	5.0
179.10635	28.3
181.10078	6.3
185.13358	5.3
187.11174	10.1
187.14944	4.5
189.09091	31.3
191.10658	3.7
195.11679	4.7
199.11151	7.7
199.14909	6.9
201.12773	4.3
203.10779	4.3
207.10136	44.3
209.13324	5.0
211.14827	6.5
213.12794	4.1
217.12241	4.6
217.15907	3.5
219.13780	10.8
225.11197	3.9
241.12175	3.1
245.11620	3.7
246.25777	3.3
249.11177	34.3
251.17882	5.5
255.17329	7.0
267.12283	43.0
269.19019	10.8
273.18408	5.4
279.17398	10.3
287.20062	7.2
297.18488	23.4
311.35590	3.2
315.19556	45.4
357.20444	5.7
375.21506	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	375.1803
Annotation	Biondinin A
Peak:m/z	Relative Intensity
50.73737	2.8
55.01872	3.5
55.05510	6.4
55.94961	2.3
67.05504	11.3
67.08823	3.0
69.03420	6.2
69.07066	5.7
71.05005	3.1
71.41273	5.1
75.04457	5.5
79.05487	11.4
81.07053	9.2
85.02906	3.3
85.06553	5.2
91.05478	27.6
93.07040	13.1
95.04979	6.8
95.08624	9.3
97.02908	3.0
97.06520	5.9
103.05459	11.2
105.07030	26.3
107.04951	17.7
107.08584	12.9
109.02871	3.9
109.06547	6.7
109.10173	12.3
111.04441	5.8
115.05461	4.3
117.07041	8.6
119.04937	7.4
119.08579	16.4
121.06520	14.7
121.10190	7.1
122.64942	2.3
123.04427	2.8
123.08036	7.5
125.09690	3.2
127.03920	32.8
128.06229	7.8
129.07008	29.8
131.04924	18.2
131.08569	12.9
133.02861	3.8
133.06485	15.3
133.10156	9.7
135.04445	4.1
135.08069	12.4
135.11726	4.8
136.05176	7.3
137.05986	28.2
143.08577	4.5
145.06483	8.4
145.10129	4.1
146.07227	4.6
147.04416	7.3
147.08102	8.8
148.05229	13.4
149.05980	8.6
149.09656	4.4
150.06784	5.8
151.03902	9.1
151.07559	37.0
154.06236	9.9
157.06485	19.0
157.10126	4.6
159.08078	3.0
159.11719	5.8
160.05179	3.9
161.05992	58.0
161.09605	28.5
163.07561	33.6
164.08321	4.1
165.05511	18.3
165.09113	18.3
166.06285	36.1
167.07043	25.6
169.08614	7.8
169.10056	3.3
169.22264	2.5
174.06802	12.3
175.07603	22.4
177.09088	15.0
179.07065	8.4
179.08603	4.0
179.10587	3.3
180.07840	26.9
181.06776	4.3
181.08591	91.0
183.08025	4.1
185.13147	3.5
188.08337	3.6
189.09129	90.2
190.09511	3.8
191.07005	3.7
191.08635	4.7
191.10638	2.6
193.08578	5.1
194.09384	3.1
195.08356	6.0
195.10165	100.0
196.08742	4.3
196.10440	4.9
197.06084	2.9
203.07045	3.5
203.10623	3.8
205.08571	4.5
205.10376	2.8
207.08282	6.3
207.10101	28.2
209.09535	5.2
211.07591	3.3
223.07648	5.9
224.08521	3.3
225.09169	7.6
227.10703	4.4
235.07594	5.5
237.09151	7.0
238.09775	3.1
239.10745	9.0
241.08533	7.5
251.06943	2.9
251.10713	5.7
253.08798	6.1
254.09480	4.8
255.10333	3.9
256.10974	3.4
265.08521	4.7
265.12311	3.0
267.06589	4.0
267.10223	11.1
268.10803	6.3
269.08240	5.7
269.11835	3.0
271.09634	6.3
271.13339	7.9
279.10208	4.3
283.09717	10.0
284.10440	6.0
285.11115	8.2
293.11664	4.0
294.12485	4.9
297.11255	15.8
297.14844	11.5
298.11893	5.3
299.12833	11.6
300.13470	13.8
301.10779	3.8
310.11993	3.2
311.12836	4.5
313.10858	5.9
313.14352	4.9
315.19519	3.6
316.13116	7.4
319.15170	3.2
325.14395	8.9
326.15207	6.1
327.12457	3.6
329.13885	21.2
331.15460	46.0
342.14523	3.2
343.15649	4.5
344.16327	9.8
345.17029	8.3
357.16922	18.4
375.18283	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	375.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12944	0.8
55.01871	15.1
55.05449	0.8
65.03951	0.9
69.03436	0.8
69.07063	1.1
69.19632	0.7
69.77464	1.7
69.77877	4.1
70.06621	1.2
71.05000	0.8
72.55383	0.8
74.06074	0.7
79.05494	1.9
80.38250	0.8
80.61025	0.8
81.07062	1.7
84.04501	3.0
85.02905	2.0
86.09700	8.4
87.10040	2.0
91.05479	18.7
92.46021	0.8
93.07039	0.8
95.04976	2.4
97.02910	1.0
99.04401	1.1
102.05523	1.5
103.05466	3.0
105.03382	2.3
105.07035	9.6
107.04976	2.9
115.05453	3.1
118.04135	2.5
119.04946	30.3
121.02874	1.1
121.06513	1.1
122.03665	2.1
123.04445	2.5
127.03925	8.4
131.04942	2.2
132.10236	2.1
133.06477	12.2
135.04422	1.3
136.05217	2.9
137.05969	24.3
143.05022	0.8
145.06706	0.8
146.03578	5.3
146.11667	1.0
147.04410	52.0
149.06027	2.2
151.03854	1.1
151.07529	2.2
159.09305	0.9
161.05984	33.8
162.06769	1.7
164.04706	1.2
165.05519	1.7
165.06973	0.9
167.07021	8.9
175.07539	1.2
177.05473	3.1
179.07034	100.0
180.07426	1.8
185.05995	1.3
191.06976	1.3
197.12868	2.1
198.12993	1.3
203.07019	4.8
215.06970	1.8
216.14291	1.4
219.08028	1.1
234.98964	1.1
244.13646	0.8
249.09288	0.9
251.07037	1.0
263.06973	1.0
277.08624	2.5
279.09888	1.1
285.11325	1.0
307.09692	3.1
309.11130	4.1
327.12302	3.7
337.69928	1.1
339.12430	1.6
357.13269	1.9
375.14432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.0
55.01871	0.8
57.03437	0.6
61.02931	0.4
62.41449	0.2
63.32747	0.2
68.99821	0.2
69.03440	1.9
71.02998	0.6
71.04983	0.3
73.02923	0.3
73.54594	0.2
75.41971	0.2
81.03429	2.6
85.02914	4.1
87.00850	1.6
97.02886	1.4
99.04459	0.8
105.01875	1.2
109.02905	2.2
117.01871	0.2
120.49268	0.2
127.03929	100.0
128.04288	1.3
145.04979	0.8
147.02882	0.4
147.99866	0.2
159.02881	1.6
203.88342	0.2
231.05009	0.8
299.49902	0.2
375.09839	0.5
390.22525	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01866	0.7
57.03431	0.2
65.74461	0.2
69.03435	1.8
70.76031	0.6
71.05000	0.2
73.02911	0.5
73.87110	0.2
80.48055	0.1
81.03424	2.6
85.02421	0.3
85.02904	3.9
87.00834	1.5
91.03952	0.2
95.26968	0.2
97.02897	1.2
99.04443	0.7
105.01860	1.2
109.02882	2.9
117.01818	0.2
117.40953	0.2
127.03918	100.0
128.04254	0.7
129.01842	0.3
143.78035	0.2
145.04956	1.5
147.02820	0.2
159.02904	1.9
163.62737	0.2
231.05057	0.6
235.71172	0.2
249.76108	0.2
375.09158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01867	0.6
57.03431	0.3
61.02903	0.2
69.03434	2.4
70.76014	0.6
70.76394	0.2
71.04983	0.2
73.02910	0.6
81.03416	2.5
85.02417	0.3
85.02909	4.3
87.00827	1.7
91.03917	0.2
93.67532	0.2
97.02897	1.4
99.04455	0.7
105.01873	1.1
109.02888	2.3
117.01897	0.3
125.60620	0.2
127.03922	100.0
128.04254	1.3
129.01863	0.4
145.04961	1.0
147.02960	0.2
159.02898	1.3
213.03888	0.2
215.10396	0.2
231.04990	0.6
375.09198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15904	0.2
52.94439	0.1
53.03942	0.6
55.01882	0.8
57.03440	0.4
57.16738	0.2
57.72657	0.2
61.02934	0.3
67.53283	0.2
68.99794	0.3
69.03432	2.2
69.89371	0.4
69.89790	0.6
71.01334	0.2
71.04957	0.2
73.02914	0.5
80.08884	0.2
81.02985	0.2
81.03424	2.6
85.02912	4.3
87.00837	1.6
97.02902	1.3
99.04459	0.6
105.01884	0.9
106.95126	0.2
109.02885	2.5
117.01830	0.3
127.03925	100.0
128.04262	1.0
129.01817	0.2
145.04974	1.3
147.02914	0.3
159.02916	1.2
202.16011	0.2
231.04990	0.4
237.80869	0.2
271.21722	0.2
375.09235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
55.50328	0.3
57.07081	6.2
58.06601	1.0
62.12827	0.3
67.05495	0.4
69.07050	0.4
70.06594	15.9
71.08636	2.2
71.59378	0.5
72.08170	0.6
81.07067	0.4
81.74369	0.4
84.08131	0.4
85.10184	1.3
85.73357	0.3
86.09740	0.4
88.07635	19.5
95.08625	0.3
102.09186	14.0
105.07077	0.4
107.08622	0.4
109.10209	0.4
119.08555	0.4
121.10129	0.4
127.03947	0.7
132.10231	1.1
146.11790	0.8
150.11273	1.3
268.30103	0.9
275.20227	0.4
286.31058	0.4
311.34116	0.3
312.32608	39.1
313.33047	2.0
315.19409	0.3
356.35312	2.7
364.77322	0.3
371.05420	0.3
374.36295	100.0
375.36636	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	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.7
55.05511	34.1
56.96556	8.2
59.04996	4.7
65.03951	3.5
67.05505	89.9
69.03442	3.8
69.07069	33.0
70.71278	9.0
70.71623	5.9
71.04993	100.0
71.83406	4.0
72.04530	4.1
73.06548	5.8
79.05489	44.2
81.07056	69.5
83.04964	7.1
83.08620	17.5
85.06528	7.4
89.77319	4.1
91.05473	32.8
93.07048	65.6
95.04963	5.8
95.08604	42.3
97.06524	20.8
97.10159	29.4
99.08106	4.2
101.05984	4.9
105.07023	31.6
107.04930	4.8
107.08595	76.1
109.06494	7.9
109.10154	57.9
111.08074	9.3
117.07007	16.0
118.05016	8.3
119.08600	34.2
121.06498	4.0
121.10134	31.0
123.11713	5.8
125.09608	28.4
127.03934	6.8
131.08568	17.3
133.10130	22.9
135.08067	33.1
135.11674	23.2
137.09634	6.3
139.07590	6.6
145.10118	15.2
147.11676	17.0
149.09615	10.1
149.13231	16.3
153.12767	8.2
155.10695	5.6
159.11707	33.6
161.13210	7.7
163.11153	5.4
171.11652	5.9
173.11757	72.5
173.13280	9.7
177.12756	27.6
183.11650	5.8
187.13303	60.9
203.12810	24.8
209.15407	13.0
239.17882	4.3
241.17975	57.2
253.45169	4.0
257.18985	13.4
262.87952	4.9
275.20096	47.3
276.20874	4.1
282.34927	4.2
289.21646	21.1
307.22665	15.8
315.79410	3.8
321.24265	6.4
333.17496	6.4
351.18616	15.7
354.85611	3.9
369.19727	5.9
374.30383	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	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73191	4.3
53.03934	5.1
55.01857	8.2
55.05511	29.3
56.96559	12.8
57.03410	4.3
65.67278	5.8
67.05503	70.4
69.07063	32.4
71.04993	100.0
71.59169	5.7
79.05483	50.0
81.07059	69.4
83.04971	7.3
83.08609	13.1
85.06522	12.8
88.15839	4.2
91.05474	35.2
93.07041	54.3
95.04965	10.8
95.08605	44.8
97.06529	19.7
97.10152	27.1
105.07012	30.6
107.04922	6.2
107.08598	56.0
109.06491	8.2
109.10152	44.9
110.18485	4.4
111.08085	7.8
117.06993	7.6
119.08583	29.6
121.10128	26.0
123.11739	6.3
123.80906	3.9
125.09602	26.0
127.03923	6.6
131.08571	15.2
133.10133	27.3
135.08046	12.0
135.11711	27.7
137.09572	4.5
145.10133	15.9
147.11674	14.3
149.09631	12.5
149.13271	11.8
151.11197	4.5
153.12804	8.5
157.10104	5.9
157.12231	5.0
159.11682	37.7
163.11127	5.5
164.85033	3.9
171.11740	4.5
173.11765	41.6
173.13202	8.3
177.12727	39.6
183.11607	4.0
187.11426	7.2
187.13289	36.1
187.14801	6.4
203.12773	24.0
209.15349	12.2
221.11595	6.7
221.31979	4.2
234.03893	4.2
241.17978	85.6
257.19104	12.0
275.20096	41.3
289.21613	16.0
289.34912	4.1
307.22665	14.7
314.52997	4.5
315.19604	6.1
321.24252	12.0
351.14691	10.0
351.18649	7.6
369.15863	6.1
375.21280	16.3
393.19617	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	374.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.0
56.76527	2.6
56.96566	32.3
57.07061	2.6
58.46028	2.5
61.65634	2.6
67.05511	5.0
71.60395	4.7
74.97624	3.9
79.05486	4.5
81.07043	5.9
91.05490	3.3
93.07052	7.7
95.08619	4.4
100.20878	3.0
105.07040	7.8
107.08591	12.3
109.10148	4.1
111.04439	4.6
119.08572	7.8
121.06543	3.6
121.10142	3.2
128.98615	7.9
129.09113	6.2
131.08525	3.3
133.10117	6.9
136.67911	2.9
143.08545	5.1
145.10120	5.3
146.99635	24.5
147.11632	3.0
159.11671	6.4
161.01192	4.9
163.98894	2.9
165.00745	6.5
170.01347	3.4
189.04305	3.9
207.25214	3.5
263.09683	6.9
314.21173	4.0
315.16272	37.2
315.19550	13.9
331.15833	3.7
333.17328	100.0
333.20724	18.8
334.17712	4.8
351.18350	45.9
356.18774	24.7
374.19815	10.8
374.23981	21.6
374.32211	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	374.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57439	0.5
54.53451	0.5
55.01872	0.7
55.05500	1.3
56.05029	1.7
61.02914	0.9
65.03928	0.5
67.05485	1.2
68.05022	0.5
69.03426	1.8
69.07071	2.2
70.06605	2.6
71.04969	0.8
71.24341	0.4
71.46574	0.3
71.59017	0.6
71.59357	0.4
72.08160	0.9
74.01551	0.4
79.05493	0.9
81.03401	1.3
81.07051	1.7
82.06567	0.5
83.04998	1.1
83.08654	0.5
84.04502	26.0
84.08168	2.2
85.01456	0.4
85.02905	4.4
86.09704	100.0
87.00835	0.8
87.04465	0.4
87.10004	0.9
91.05470	6.3
93.07061	2.7
94.06531	0.4
95.04960	0.5
95.08608	1.2
96.04506	1.3
97.02885	2.2
97.06506	0.5
97.94521	0.4
98.09711	0.5
99.04453	0.7
100.11261	1.1
102.05539	13.3
103.90189	0.4
105.01873	1.7
105.07014	1.2
107.08599	1.8
108.08116	1.7
108.30223	0.4
109.02872	1.3
109.06524	0.6
110.06023	0.8
111.04456	1.1
112.07613	0.5
112.78442	0.4
113.07105	1.3
114.05530	0.7
119.08572	0.7
120.08102	0.5
121.10163	0.6
122.02787	0.6
122.03597	0.5
123.11709	0.5
124.11301	0.9
126.09114	0.5
127.03905	5.4
128.07100	0.9
129.06580	4.0
130.08644	0.4
132.10201	40.6
133.10062	1.1
135.11688	0.8
137.05972	3.9
139.03777	0.4
141.06578	3.5
145.05019	1.0
147.04381	0.5
151.03928	1.9
151.11208	1.0
152.10690	2.5
154.60518	0.4
161.06059	0.6
163.03947	0.5
167.07076	0.5
170.11761	3.8
174.31685	0.4
176.14247	0.6
181.04991	0.5
182.15445	0.6
183.15771	1.4
194.11836	0.4
194.15396	3.5
197.12846	19.9
203.07072	0.6
204.08664	0.6
210.14926	1.0
211.15263	1.5
212.16507	1.8
215.13905	32.7
225.12350	9.0
231.09019	0.6
243.13388	17.7
245.18640	2.5
310.21375	0.6
330.22559	0.6
338.21368	1.8
356.22250	2.5
374.17615	1.1
374.22113	2.5
375.14120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57439	0.5
54.53451	0.5
55.01872	0.7
55.05500	1.3
56.05029	1.7
61.02914	0.9
65.03928	0.5
67.05485	1.2
68.05022	0.5
69.03426	1.8
69.07071	2.2
70.06605	2.6
71.04969	0.8
71.24341	0.4
71.46574	0.3
71.59017	0.6
71.59357	0.4
72.08160	0.9
74.01551	0.4
79.05493	0.9
81.03401	1.3
81.07051	1.7
82.06567	0.5
83.04998	1.1
83.08654	0.5
84.04502	26.0
84.08168	2.2
85.01456	0.4
85.02905	4.4
86.09704	100.0
87.00835	0.8
87.04465	0.4
87.10004	0.9
91.05470	6.3
93.07061	2.7
94.06531	0.4
95.04960	0.5
95.08608	1.2
96.04506	1.3
97.02885	2.2
97.06506	0.5
97.94521	0.4
98.09711	0.5
99.04453	0.7
100.11261	1.1
102.05539	13.3
103.90189	0.4
105.01873	1.7
105.07014	1.2
107.08599	1.8
108.08116	1.7
108.30223	0.4
109.02872	1.3
109.06524	0.6
110.06023	0.8
111.04456	1.1
112.07613	0.5
112.78442	0.4
113.07105	1.3
114.05530	0.7
119.08572	0.7
120.08102	0.5
121.10163	0.6
122.02787	0.6
122.03597	0.5
123.11709	0.5
124.11301	0.9
126.09114	0.5
127.03905	5.4
128.07100	0.9
129.06580	4.0
130.08644	0.4
132.10201	40.6
133.10062	1.1
135.11688	0.8
137.05972	3.9
139.03777	0.4
141.06578	3.5
145.05019	1.0
147.04381	0.5
151.03928	1.9
151.11208	1.0
152.10690	2.5
154.60518	0.4
161.06059	0.6
163.03947	0.5
167.07076	0.5
170.11761	3.8
174.31685	0.4
176.14247	0.6
181.04991	0.5
182.15445	0.6
183.15771	1.4
194.11836	0.4
194.15396	3.5
197.12846	19.9
203.07072	0.6
204.08664	0.6
210.14926	1.0
211.15263	1.5
212.16507	1.8
215.13905	32.7
225.12350	9.0
231.09019	0.6
243.13388	17.7
245.18640	2.5
310.21375	0.6
330.22559	0.6
338.21368	1.8
356.22250	2.5
374.17615	1.1
374.22113	2.5
375.14120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.03462	0.4
55.01867	0.5
55.05507	2.3
56.05024	0.4
56.96558	1.2
57.03426	1.0
58.99569	0.5
59.05001	2.5
60.04526	0.4
60.08165	0.3
61.01141	1.3
61.02920	3.9
67.04216	0.3
67.05497	0.8
68.05037	2.6
69.03432	0.7
69.07066	4.0
70.06592	2.9
71.04989	8.6
71.20668	0.3
71.58392	0.4
71.58772	0.4
72.08159	3.8
74.00663	1.2
79.05492	3.0
79.08696	0.3
80.05016	0.6
81.03414	0.8
81.07053	16.1
82.05329	0.5
82.06570	0.6
83.04977	0.6
84.04504	1.7
84.08131	2.6
84.62700	0.3
85.02883	2.1
86.09703	7.6
87.02688	1.7
87.08115	2.0
88.03982	0.6
91.05458	2.5
93.04531	0.5
93.07040	0.4
94.05302	0.9
95.04950	0.4
95.06077	0.6
97.02898	0.8
97.06538	0.4
98.97583	1.0
99.01425	0.8
99.04469	0.6
99.08099	1.6
101.04243	3.4
102.05538	0.6
105.07001	0.7
106.03645	0.3
106.06563	0.4
107.04962	0.5
107.06082	0.9
107.08583	0.5
108.06888	0.4
109.02874	0.6
109.10216	0.5
112.66246	0.3
113.09650	2.1
114.03741	1.9
114.05523	0.4
116.98647	0.8
119.04953	3.6
119.08544	0.4
120.05306	0.4
124.11230	0.6
126.02474	32.2
126.10284	0.7
127.03079	0.4
127.03918	7.4
128.04071	1.0
129.04732	0.3
129.10220	1.5
130.04964	0.5
130.10594	0.4
137.05988	0.6
141.04803	100.0
142.03221	5.7
142.05138	1.2
143.00179	0.4
143.06377	12.0
144.06586	1.2
145.02844	1.3
147.04405	11.5
147.07706	0.5
148.04758	1.8
148.05954	0.6
149.04953	0.5
149.10681	0.6
153.04796	0.3
155.06366	0.6
157.04309	2.5
162.07593	1.6
163.03947	0.5
167.06393	1.5
173.12860	0.5
177.05397	1.4
179.06352	0.6
185.16495	1.0
194.08183	0.9
195.09593	0.9
197.11070	19.5
198.11441	0.5
199.18117	0.4
211.11038	0.3
213.10567	1.6
213.15996	0.6
219.09019	0.6
221.11023	2.0
223.12637	1.4
226.13898	0.5
235.16928	0.4
237.02899	0.5
239.08484	0.8
239.12117	9.8
240.12140	0.4
253.13704	3.8
255.11583	0.6
261.14542	0.6
265.10031	7.0
271.14731	58.5
272.15140	2.1
287.14252	1.4
297.12674	0.9
298.19479	13.0
299.19308	0.4
312.21152	2.4
315.10251	0.4
315.13596	0.8
330.22079	42.4
331.22400	2.2
342.18484	4.4
374.18442	11.3
374.28360	0.4
375.16125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
56.96573	0.7
57.03449	1.1
57.30033	0.6
59.04992	2.3
60.08146	0.6
61.01132	1.6
61.02933	4.8
68.05018	1.7
69.03408	1.3
69.07070	4.6
69.75029	0.5
70.06593	2.9
70.84863	1.7
70.85217	0.6
71.04990	8.7
72.08155	5.3
74.00652	1.2
79.05471	2.5
81.03417	1.0
81.07059	16.3
84.04515	2.8
84.08132	1.1
85.02901	1.3
86.09702	8.4
87.02680	1.8
87.08102	1.8
88.69102	0.6
91.05426	0.6
93.07027	0.6
94.05283	1.1
95.04939	0.9
95.06094	1.3
95.08603	1.0
97.02890	0.8
98.65300	0.6
99.08085	1.9
101.04240	3.3
102.05523	0.8
105.03385	2.9
106.03725	1.2
107.06048	0.8
107.08584	0.6
109.10103	0.6
113.09655	2.4
114.03760	1.8
116.07087	1.2
117.03381	0.8
124.11237	0.7
126.02480	31.9
127.03930	4.7
128.04099	0.9
130.05002	1.1
137.05995	1.7
141.04810	100.0
142.03255	5.4
142.05165	1.9
143.06377	13.2
144.06583	1.9
145.02849	2.0
147.04399	0.7
147.07660	2.1
153.01826	0.8
157.04318	1.2
162.07628	3.4
177.05482	3.7
178.06094	0.6
179.07088	1.2
185.16524	1.9
195.09488	1.6
197.11070	22.0
198.11348	0.8
199.18187	0.7
213.10579	2.2
213.16023	1.4
221.07362	0.6
221.11101	1.8
239.08507	3.8
239.12126	9.0
243.13680	0.7
253.13707	3.6
265.10077	12.9
271.14746	61.1
272.15091	1.8
287.13992	1.5
297.12656	4.5
298.19479	13.4
312.21048	3.6
315.13846	1.2
330.22086	46.5
331.22363	1.9
342.18503	5.0
374.18643	6.9
375.19934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.3
60.47304	0.2
69.28819	0.2
69.86096	1.2
70.06561	0.3
81.07047	0.2
84.04463	0.7
85.02883	0.4
86.09706	4.5
98.20811	0.3
98.98462	2.2
101.75169	0.3
102.05508	0.5
105.06966	0.2
107.04855	0.4
113.61967	0.2
118.06551	4.2
119.07309	0.2
125.00002	9.8
126.00248	0.2
127.03931	1.2
128.88158	0.2
132.08043	0.8
132.10150	0.8
133.08820	0.5
134.09633	0.3
137.05951	0.6
141.63261	0.2
144.07018	0.4
144.08084	7.0
145.08803	0.3
146.09656	1.3
147.10422	0.3
158.09639	2.6
159.10374	1.0
160.11160	0.7
162.09142	2.6
167.07019	0.4
172.11270	1.9
176.10803	1.7
176.14352	18.8
177.11351	0.5
177.14632	0.5
190.12283	1.6
197.12883	0.6
202.15912	48.2
203.16273	1.4
215.13914	1.3
220.16965	100.0
221.17339	3.0
240.12143	0.3
243.13432	1.9
296.11166	0.3
300.13599	9.9
314.12302	0.8
314.60025	0.2
356.16330	0.4
374.17438	24.6
375.17740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18636	0.9
53.03938	2.0
55.01870	2.9
57.03417	2.8
61.02930	2.2
61.74499	1.1
65.03935	2.3
69.03433	14.9
69.63241	3.7
69.63657	2.7
71.04990	1.8
73.02911	3.4
81.03428	11.1
85.02908	43.5
86.09699	3.0
87.00832	20.0
91.05484	100.0
92.05817	2.0
97.02896	14.3
98.32971	0.9
99.04449	6.9
103.03938	1.9
105.01179	1.9
105.01868	32.9
105.07021	1.5
108.04485	2.4
109.02881	14.8
115.03958	1.1
117.01833	1.9
117.06974	1.3
126.05476	1.2
127.03920	33.5
129.01805	2.6
129.07007	1.4
133.06410	1.2
145.04955	16.7
145.06529	1.4
147.02892	2.0
159.02908	7.7
171.07912	1.0
175.07489	2.4
189.03993	3.1
195.06577	1.7
199.07594	2.5
213.03880	1.8
217.08736	1.4
231.05003	8.5
248.07796	1.8
249.05977	1.3
321.09683	1.4
347.46976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32822	0.7
55.05515	0.9
56.96560	0.9
59.06102	1.1
63.37307	0.7
67.05503	3.6
69.07063	3.1
69.63059	5.7
72.08155	0.9
78.80970	0.9
79.05485	1.9
81.06576	1.4
81.07059	24.9
81.69395	1.0
83.21732	0.8
83.93523	0.9
85.02911	0.9
86.09686	1.6
91.05490	1.4
95.08607	8.4
98.07178	2.2
99.05569	1.0
103.83700	0.8
107.08575	0.8
109.10136	1.3
118.92113	1.2
122.07140	1.2
127.03877	1.4
135.11670	1.9
136.93092	7.1
136.93831	0.8
137.13263	2.7
140.08189	6.8
154.94170	25.2
172.95235	72.5
177.95708	1.2
190.96289	45.0
195.96811	5.2
212.90123	0.8
213.97893	1.7
214.96300	3.0
224.01794	0.9
227.77481	0.9
232.97348	8.1
241.01520	1.3
270.91055	0.8
273.05585	6.3
279.06760	3.6
291.06689	100.0
292.07175	1.1
309.07745	39.3
314.08261	8.5
332.09415	3.2
333.07831	2.7
351.08783	4.1
374.13980	1.5
374.18570	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	373.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.05496	13.1
67.05499	27.1
67.28548	4.6
69.03419	5.1
69.07056	12.7
71.60284	6.3
79.05505	25.6
81.07058	49.5
83.04974	5.5
87.04465	13.7
91.05477	43.9
93.07044	41.0
95.04977	47.0
95.08601	23.1
96.89339	3.5
97.06539	19.2
105.06386	6.6
105.07037	87.3
107.08584	19.5
109.06523	25.1
109.10146	14.4
115.05437	6.2
117.07019	13.6
119.08586	55.6
121.06482	11.2
121.10173	23.9
123.08028	4.2
125.05135	3.6
128.06235	17.8
129.07013	23.8
130.07729	5.8
131.08589	23.7
133.06465	3.3
133.10132	36.2
135.08029	7.5
141.07034	8.6
142.07768	26.4
143.08583	43.4
144.09329	5.7
145.10132	42.2
147.11708	13.8
149.09622	10.3
153.06978	5.5
154.07678	5.7
155.08542	15.7
156.09312	13.7
157.10144	48.3
158.10963	8.3
159.11679	17.0
161.09598	6.0
162.65128	3.8
165.07005	8.4
167.08572	22.6
168.09354	7.6
169.10124	34.3
170.10857	7.6
171.11691	23.3
173.09625	5.6
173.13289	19.8
175.11162	6.4
179.08574	22.3
180.09419	5.7
181.10098	26.7
182.10893	14.8
183.11641	18.9
184.12453	6.0
185.13211	10.1
187.14864	4.7
192.09329	9.2
193.10152	25.5
194.10910	15.8
195.11731	25.7
196.12527	6.2
197.09048	3.5
197.13297	24.0
199.14853	9.0
203.08614	3.8
205.10126	6.6
206.10938	14.6
207.11716	34.7
208.12453	12.0
209.13292	22.6
210.13911	5.7
211.14799	15.4
215.14291	3.7
217.10217	4.6
218.10890	5.5
219.11722	12.3
220.12422	16.2
221.13309	21.4
222.13924	7.8
223.14886	9.4
225.16293	7.3
230.10818	6.0
231.11760	4.7
233.13237	14.6
234.13985	6.5
235.14883	22.9
236.15657	5.2
237.16313	9.3
243.11772	4.5
245.13255	7.6
246.14043	10.1
247.14865	13.0
248.15497	6.7
249.16345	19.2
251.17938	5.4
257.13248	7.2
259.14703	7.0
260.15601	4.0
261.16367	11.8
263.17914	14.0
264.18600	10.7
271.14825	5.0
274.17047	4.7
275.17914	9.3
277.19556	10.0
345.25540	6.5
352.34686	4.6
355.24164	9.0
373.25275	100.0
373.31302	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65949	2.7
53.03941	3.3
55.05503	8.9
57.07063	3.3
59.04988	2.5
63.85226	2.0
66.32980	2.3
67.05508	19.6
68.52712	2.2
69.03430	11.3
69.07065	20.8
70.20470	6.5
70.20876	5.9
71.04992	6.7
74.04806	2.2
79.05494	9.6
81.03397	3.2
81.07056	35.8
83.04975	11.5
83.08594	4.9
85.02914	17.1
85.06535	5.5
86.09705	5.4
91.05470	5.9
93.07044	9.7
95.04963	5.5
95.08615	35.9
97.02898	4.0
97.06512	3.4
103.05449	3.3
103.25792	2.3
105.07007	8.4
107.04958	6.2
107.08588	19.7
109.06506	8.9
109.10165	74.7
109.96284	2.3
111.04362	2.5
111.08095	3.6
119.04926	2.5
119.08587	24.6
121.10140	13.0
123.08046	13.0
123.11701	9.9
131.04933	5.8
133.10162	15.1
135.10689	4.0
135.11696	62.8
136.93088	8.6
137.05962	8.0
137.09666	16.1
137.13298	3.1
140.08231	3.1
145.02847	2.6
145.04980	4.6
147.04433	3.0
149.13242	6.0
151.03886	4.9
151.11197	9.2
151.14801	8.0
153.12697	2.5
154.94174	31.1
161.05962	3.1
163.07568	9.2
163.61131	2.8
165.05533	2.5
167.07039	40.9
172.95235	67.0
175.14845	30.6
177.05533	3.3
190.96271	43.3
193.08571	4.6
193.15886	45.6
195.96808	5.3
199.09648	2.8
201.05516	4.3
206.07294	2.6
211.16937	81.1
232.97369	6.7
256.10593	2.7
265.08572	2.8
273.05637	10.5
279.06735	4.8
291.03467	3.4
291.06683	100.0
309.07800	38.8
313.11703	8.5
314.08258	10.8
327.08624	5.8
333.07761	3.3
341.11301	3.1
350.06339	3.2
355.15799	3.2
373.13693	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
55.05510	5.4
55.13912	1.5
56.96566	2.3
57.03433	3.7
57.07076	3.2
67.05521	12.6
69.03440	6.1
69.07079	11.3
69.55932	12.5
71.04993	6.2
78.04712	2.8
79.05495	11.1
81.03413	2.7
81.07059	34.7
83.04984	6.3
83.08617	2.6
84.04507	2.4
85.02908	7.2
85.06535	3.6
86.09710	8.9
86.25086	1.6
91.05481	9.0
93.07043	10.2
94.06548	1.6
95.04976	6.4
95.08615	19.7
97.02903	7.0
97.06550	7.6
97.14667	1.6
98.12872	1.4
98.21561	1.5
99.08102	2.4
99.19861	1.8
103.05473	8.0
105.07058	7.8
107.04958	7.0
107.08617	9.2
109.02835	2.9
109.06544	5.4
109.10152	26.5
111.04488	3.0
111.08092	3.2
115.05459	2.6
117.07036	2.5
118.92138	1.5
119.05002	2.7
119.08588	10.9
121.06530	2.5
121.10158	6.8
123.04452	6.7
123.08080	4.2
123.11713	3.9
124.05215	2.0
127.03931	2.1
131.04935	15.4
133.02870	2.8
133.06491	3.6
133.10139	5.8
135.04430	2.3
135.11708	20.7
136.93074	9.9
137.05988	11.7
137.09644	5.7
137.13271	1.9
139.03935	2.3
139.11168	1.4
140.08141	3.5
145.05005	1.9
146.11769	2.0
147.04424	5.7
147.11746	3.5
149.05991	5.1
149.13290	3.0
151.03922	3.3
151.11188	2.1
151.14804	2.6
152.04739	1.8
153.05453	1.6
154.94164	23.4
155.00056	1.5
157.10056	1.8
159.08084	2.8
161.05939	4.0
162.06749	3.9
163.07556	17.4
165.05547	3.8
165.06895	1.5
167.07051	84.4
168.07402	5.5
172.03955	4.9
172.95242	79.8
173.06039	1.7
175.07559	2.9
175.14845	8.6
177.05519	3.9
179.07072	1.9
187.07591	3.1
190.96289	59.6
193.05124	2.4
193.08620	4.7
193.15897	13.5
195.96869	5.6
199.07487	1.8
201.05502	4.3
201.12370	1.7
204.06671	7.1
207.08119	2.1
211.16959	26.2
213.97943	4.8
214.96272	4.1
219.06296	1.8
222.06850	2.5
224.10860	2.3
225.10452	3.0
227.07231	1.9
232.97331	4.8
235.07648	2.2
239.07024	2.1
239.11856	7.1
240.97748	3.7
241.12254	2.4
250.08784	1.6
251.07060	2.7
252.08972	2.7
253.09703	5.9
261.05630	2.4
265.08499	2.2
267.11285	9.1
273.05600	10.0
279.06772	5.9
291.03418	3.8
291.06686	100.0
292.06772	1.7
292.99704	1.6
295.10757	4.6
297.11295	3.1
305.08133	2.5
307.09686	1.6
309.07791	40.9
311.12390	2.2
313.11774	20.6
314.08295	14.2
314.11682	3.2
323.09100	4.7
325.10715	3.9
327.08832	3.8
327.12204	3.4
332.09451	2.8
333.07965	2.8
337.10931	2.7
341.10999	1.8
343.11594	10.6
350.10339	2.2
351.08905	3.4
355.11700	4.0
373.08716	2.7
373.13693	46.1
374.14581	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	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83466	0.7
53.03922	1.0
55.05500	2.8
57.07074	1.2
59.96276	0.6
61.02921	1.7
64.76066	0.6
67.05499	0.9
69.03420	2.4
69.07069	3.4
69.45140	1.6
69.45541	4.1
71.04986	2.1
72.08163	5.5
73.02909	0.7
75.63491	0.6
79.05484	2.5
81.03396	2.2
81.07059	11.0
83.06088	1.7
83.08611	1.5
84.04491	2.9
85.02903	12.2
85.06512	0.6
86.09722	3.6
91.05470	4.4
93.07040	7.0
95.08607	14.7
97.02875	2.8
97.06493	0.8
98.20760	1.5
98.74368	0.6
99.04453	0.8
99.08098	3.7
105.07023	10.3
107.08588	7.9
109.02845	1.0
109.10133	2.7
111.05584	1.1
113.09641	1.8
117.07069	1.0
117.10231	0.8
119.08582	45.8
120.08915	1.1
121.10112	1.7
123.08052	1.1
123.11695	2.1
127.03921	2.8
131.08586	1.3
133.10130	60.5
134.10451	1.9
135.11691	12.0
137.05966	1.2
137.09576	1.4
138.09119	1.1
141.01784	0.6
145.04953	2.7
146.11774	3.2
147.11655	3.9
149.02371	1.6
167.07086	0.7
175.14824	100.0
176.15187	3.7
182.12878	1.9
183.11319	1.3
192.46295	0.6
193.15887	13.1
199.00824	0.7
200.13824	0.8
204.06500	0.7
210.12462	0.7
211.16956	6.4
228.13405	2.2
335.74893	0.6
355.22998	0.9
373.13434	1.9
373.18262	17.7
374.18701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.1
57.03440	0.7
58.06616	0.6
60.05651	1.0
60.08165	21.9
66.92432	0.5
68.05024	1.3
69.03436	0.8
70.06594	8.9
71.04971	0.7
71.58575	0.7
72.08147	1.6
84.04486	1.4
84.08144	5.2
84.44007	0.5
85.02894	1.6
86.09711	3.2
87.04415	0.6
91.05795	1.7
93.04519	0.5
94.05336	1.0
94.93375	0.5
95.06122	0.7
97.02876	1.1
98.97588	1.6
99.01382	0.6
101.07185	0.5
101.12192	0.5
102.05543	0.7
112.08740	2.1
116.07099	1.1
116.98616	1.7
119.01917	1.1
121.06470	0.7
125.19369	0.5
126.02485	23.9
126.03420	1.2
126.73800	0.5
127.03246	1.4
127.49204	0.4
128.98595	0.7
129.10266	1.9
130.05035	0.7
130.09749	6.2
132.10153	0.5
133.06123	0.8
134.99661	1.1
141.04814	100.0
142.05159	0.9
146.99648	0.6
147.04472	0.6
149.01164	0.6
157.04359	1.1
161.01384	0.6
164.07133	1.9
185.03674	0.5
192.98708	0.6
194.08170	0.7
200.12173	42.2
201.00687	0.9
201.12445	1.3
211.11952	0.9
212.09305	0.8
219.92828	0.5
243.04549	0.6
244.11160	79.6
245.11386	2.2
254.96785	0.7
260.09851	0.9
263.02368	0.5
271.07529	0.6
330.14740	1.1
336.38025	0.5
341.08441	0.7
348.99316	0.6
357.22015	0.6
373.17059	0.8
374.14066	0.9
374.23587	0.8
374.83890	0.5
375.07541	0.5
379.45767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51252	0.8
52.94881	0.7
53.03923	0.9
54.05265	0.8
55.01870	1.8
55.05502	3.7
56.96548	2.8
57.03430	2.0
59.04990	2.3
60.04530	0.9
61.02922	2.3
67.05491	3.1
69.03425	14.2
69.07050	3.2
69.95318	5.2
70.06590	5.3
71.04996	4.1
72.08144	3.4
73.02888	2.0
79.05479	3.7
81.03408	5.5
81.07052	9.1
82.06612	0.9
83.04972	1.7
84.04488	3.7
84.08135	2.2
85.02901	25.1
85.06541	25.0
86.09704	19.8
89.03909	2.0
91.03951	1.0
91.05441	9.1
93.07037	11.3
95.04957	3.2
95.08606	3.1
97.02892	10.1
97.06506	2.6
98.97588	2.7
99.04436	1.3
105.07027	32.1
107.04951	1.7
107.08595	10.8
109.02868	6.8
109.06526	3.0
109.10125	6.1
111.04420	2.4
116.07082	2.3
116.98591	2.2
117.07013	1.1
119.04932	1.8
119.08582	18.1
121.06486	3.0
121.10144	2.5
123.04384	3.3
123.08018	2.4
123.11730	2.3
125.09629	0.9
127.03918	17.1
129.10278	1.5
130.05020	2.3
131.08580	5.5
133.06476	2.7
133.10124	63.0
134.10434	1.1
134.99672	1.4
135.04388	1.7
135.08020	5.6
137.05978	3.3
137.09592	1.4
139.07457	0.9
141.69684	0.9
142.07761	2.5
144.06537	3.6
145.02748	1.8
145.04939	2.2
145.06537	1.3
145.10094	1.8
147.04361	4.7
147.07726	5.3
147.11678	32.2
149.09610	4.4
151.07547	1.4
151.11179	53.0
157.10132	6.2
158.99660	1.4
160.08873	1.5
161.09238	3.4
163.03880	9.3
165.09105	0.9
165.12752	6.9
169.04997	1.7
169.12238	1.4
175.11179	67.6
176.11456	0.9
177.00668	2.0
177.05464	2.4
181.04916	6.0
193.12230	93.1
194.12582	1.9
199.18062	2.4
201.05516	3.0
203.05363	1.0
203.07562	1.5
211.13280	100.0
219.01631	1.1
219.06517	1.1
237.02922	1.4
243.09071	1.0
245.51971	0.9
252.15974	0.8
260.16162	1.3
293.09106	1.6
373.14349	1.7
373.18338	2.8
373.24817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.3
56.96562	0.4
67.05504	0.4
69.03433	0.3
69.07068	0.4
70.06567	0.5
72.08148	0.4
74.68730	0.3
81.03411	0.2
81.07034	0.4
83.04977	0.5
84.08148	2.1
85.02890	0.7
85.06530	0.3
86.09211	0.4
86.09708	4.6
89.03972	0.2
91.05459	0.5
93.07016	0.3
95.04979	0.4
97.02887	0.5
98.20689	0.5
99.04422	0.3
99.08091	0.7
105.07046	0.4
107.04953	0.3
107.08554	0.5
109.10130	0.5
111.04474	0.2
117.03398	0.3
119.04962	0.5
119.08588	0.4
121.07876	0.2
121.10164	0.3
127.03909	0.2
129.10268	1.7
129.94772	0.3
133.10138	0.4
134.05963	0.3
135.08118	0.2
135.11710	0.4
137.05975	0.6
137.09648	0.7
145.02849	0.4
147.04401	0.9
151.03889	0.3
155.10696	0.3
157.13347	0.3
161.05974	0.3
167.07040	0.3
177.05472	1.1
193.16017	0.4
199.18053	1.1
201.05502	0.7
211.13089	0.9
211.16989	0.6
227.17502	0.7
252.03903	0.2
309.07724	0.3
325.18900	0.2
327.08768	0.3
329.15811	0.5
331.09152	0.3
373.18323	100.0
374.18665	2.3
384.89111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
55.05498	0.4
56.05029	0.6
56.96560	1.7
57.03434	0.4
65.03943	0.4
65.45251	0.3
67.05507	0.4
68.05032	0.4
69.03395	0.8
69.07053	0.6
70.06589	1.7
71.04985	0.7
71.58416	0.4
72.08161	2.2
79.05492	0.4
81.03406	0.4
81.07040	1.2
82.06534	0.4
84.04491	1.4
84.08142	12.2
85.02889	1.4
85.06538	0.8
86.09704	7.3
88.03997	0.3
89.03886	1.1
91.05431	3.9
92.05793	0.5
93.07037	0.8
95.04951	0.9
97.06500	0.4
98.97581	0.8
99.08093	0.4
101.10789	0.6
102.05519	0.4
105.03374	1.7
105.07026	0.6
107.08601	0.5
112.07694	0.3
115.03905	0.3
116.07095	1.0
116.98644	0.8
117.03356	1.8
119.04941	5.0
120.05302	0.7
126.02486	1.3
127.03952	0.7
128.98615	0.3
129.10245	7.9
133.10065	0.5
135.04428	0.8
135.11739	0.5
137.05956	0.5
141.04820	4.0
143.00165	1.0
143.06386	0.6
143.11673	0.3
144.06529	0.7
145.02834	4.2
147.04405	18.3
147.07933	1.1
148.04761	3.3
149.05942	0.3
153.01825	1.4
157.09755	0.3
161.01218	1.5
161.09241	1.3
163.03923	2.2
164.04347	0.5
167.07106	0.4
170.99689	0.4
177.05496	5.0
178.05811	0.5
179.06969	0.6
185.01260	0.3
189.00737	0.7
193.12024	2.3
195.13617	2.1
197.11137	0.7
197.16516	0.6
199.17992	1.0
201.03688	2.7
201.05493	0.8
201.07939	0.6
203.02290	0.4
203.05264	6.9
207.01711	0.3
211.05948	0.7
211.13223	0.7
214.37816	0.3
219.08974	0.9
224.17726	0.3
227.17471	0.4
237.02875	0.8
239.02222	0.7
239.12115	0.5
242.18686	0.9
249.02849	0.4
253.12813	0.5
257.03333	1.0
261.10135	0.3
271.14709	2.3
279.07373	0.8
287.04794	0.4
298.19391	0.5
322.08942	0.5
325.10648	0.4
330.22018	1.1
373.11646	3.0
373.18311	100.0
373.27878	3.4
374.18552	2.2
395.06406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1835
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
55.05503	0.3
56.98161	0.3
57.03442	0.3
57.07082	0.4
58.37730	0.2
60.05618	0.2
62.55770	0.3
67.05495	0.6
69.03421	0.7
69.07059	0.6
70.06599	0.4
71.04984	0.3
71.60330	0.3
72.08154	1.7
79.05458	0.4
81.07046	0.8
83.04946	0.4
84.04519	0.5
84.08146	1.4
85.02901	2.0
85.06533	0.5
86.06076	0.5
86.09708	6.3
91.05492	1.0
93.07044	0.6
95.04948	0.5
95.08581	0.6
97.02910	0.5
99.08070	1.3
105.07019	0.8
107.04923	0.3
107.08589	0.8
108.04502	0.3
109.10199	0.7
119.04950	0.6
119.08596	0.8
120.08092	0.3
121.06482	0.3
121.10167	0.7
123.11713	0.9
124.21139	0.3
127.03882	0.7
129.10255	1.1
131.04927	0.4
133.10126	0.9
135.11708	0.4
137.05992	1.3
137.09619	0.8
147.04431	0.8
147.11682	0.3
149.13281	0.6
151.11157	0.2
157.13335	0.7
162.05499	0.4
167.07144	0.4
168.06615	0.5
171.11264	0.3
175.14828	0.6
177.05501	0.4
181.06567	0.3
185.12843	0.4
188.67165	0.3
189.12387	0.9
193.12213	0.5
193.15889	1.0
197.04848	0.4
201.05475	0.8
207.13921	0.4
211.13179	1.1
211.16978	1.1
215.05948	0.6
219.06555	0.4
325.10812	0.3
359.10110	1.1
373.18329	100.0
374.18637	1.7
398.73862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
56.05009	0.6
56.96550	2.2
57.03429	0.5
67.05483	1.0
69.03400	1.6
69.07048	1.6
69.53284	4.8
70.06580	2.9
71.04980	0.7
72.08164	4.0
73.02907	0.6
79.05476	1.1
81.03397	1.3
81.07035	1.9
82.02922	0.5
83.04962	1.3
84.04481	2.5
84.08145	8.4
85.02904	2.8
86.09215	1.0
86.09705	14.3
88.04016	0.6
89.03913	1.4
91.05422	3.5
93.06973	0.5
95.04941	1.1
97.02880	1.6
98.21607	0.6
98.97585	1.4
102.05537	0.6
105.07027	1.7
107.04960	1.0
107.08576	1.0
109.02848	0.8
109.06532	0.8
109.10140	0.7
110.07148	0.7
116.07073	3.6
116.98580	1.1
117.03355	1.5
119.04944	3.7
120.05247	0.6
126.02453	0.7
127.03880	1.7
128.98604	0.5
129.10225	4.5
130.05031	0.6
134.99609	0.8
135.04417	1.0
135.11676	0.6
137.05930	2.2
141.04802	1.8
144.06541	2.0
145.02798	2.7
147.04413	11.6
147.07990	0.7
148.04726	2.6
149.05994	0.8
151.03957	0.7
151.11140	0.8
161.04793	0.6
161.05916	2.8
161.09245	2.1
163.03865	2.6
177.05507	3.7
181.04971	1.2
193.12022	2.6
193.13809	0.5
195.13535	9.6
195.15172	0.7
197.07837	3.1
199.18056	1.9
201.03716	11.7
201.05440	2.0
203.05286	5.0
211.09489	0.6
211.13165	0.7
220.38393	0.6
227.17546	1.1
237.02802	0.9
253.12842	1.0
258.14630	0.6
261.10016	1.1
268.99689	0.6
271.14694	1.8
314.09479	0.8
325.10690	1.5
373.11136	29.3
373.18271	100.0
374.11356	1.4
374.18518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
53.75467	0.4
55.01855	0.4
55.05505	0.9
56.05022	0.5
56.96557	0.7
57.03426	0.9
60.04509	0.5
67.05490	1.2
69.03412	1.7
69.07059	1.2
70.06585	2.5
71.04982	1.0
71.54512	0.4
71.54865	0.6
72.08145	4.4
73.02909	0.5
78.72463	0.5
79.05490	2.3
81.03407	1.4
81.07059	1.9
83.04948	0.9
83.08627	0.4
84.04501	1.2
84.08126	3.2
85.02911	4.5
86.09699	12.2
87.05582	0.5
88.38208	0.5
91.05476	1.5
93.07032	1.8
95.01324	1.0
95.04955	3.4
95.08587	1.0
95.22708	0.4
97.02891	1.3
98.39670	0.5
98.97572	0.6
99.08088	2.2
103.05463	0.5
105.03386	49.1
105.07012	1.9
106.03723	1.5
107.04909	0.7
107.08577	1.4
107.37440	0.4
109.02863	0.7
109.06491	0.7
109.10133	2.3
110.07138	1.0
117.03381	0.9
119.04942	1.1
119.08607	0.9
120.08163	0.5
121.06458	0.5
121.10070	0.5
123.04428	2.4
123.08076	0.7
123.11706	0.4
126.02432	0.6
127.03907	1.2
129.06522	0.5
129.10226	1.7
131.03378	0.6
131.04916	0.8
132.10175	0.5
133.10118	2.3
134.10472	0.8
135.04362	0.6
135.08069	0.9
135.11726	0.7
137.05957	3.3
137.09612	1.4
141.01823	2.6
141.04794	0.7
142.37787	0.4
143.06302	0.4
143.11798	1.0
145.02859	1.4
147.04410	1.3
147.07861	0.7
149.05966	0.9
149.09616	0.7
151.03867	0.6
151.11137	1.1
153.05473	0.9
155.10622	0.6
157.13339	1.2
161.06032	0.5
162.07721	0.9
163.03955	1.2
163.07462	0.7
167.07056	0.9
169.12198	0.6
170.05841	0.4
174.03192	0.5
175.07480	0.5
175.14879	1.4
177.05458	3.9
179.07054	13.1
180.07497	0.5
184.82726	0.4
185.12926	1.3
185.16544	0.5
189.12363	2.0
191.10672	0.5
193.08603	0.9
193.12390	0.5
193.15872	1.4
197.08069	7.5
197.09752	0.5
201.05501	3.0
203.05367	0.6
203.13893	0.8
205.05888	0.4
209.11743	0.8
210.12209	0.7
211.16928	1.6
235.02412	0.4
271.14774	1.1
273.09387	3.7
287.10959	1.2
315.43771	0.5
325.10864	1.3
339.11212	0.4
342.43509	0.5
355.12064	0.7
355.17383	0.5
373.18259	100.0
374.18567	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	373.1832
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
51.01387	0.4
57.07027	0.4
61.56435	0.3
69.03407	0.4
69.51861	1.8
69.52274	0.8
72.08144	1.9
81.07043	0.6
83.06102	0.6
84.04490	1.1
85.02898	0.6
86.09702	1.6
95.08604	0.7
105.06990	0.6
107.08591	0.5
107.36401	0.3
115.04910	0.3
119.08591	2.2
119.68874	0.3
123.12530	0.4
127.03898	0.5
133.10152	1.7
135.11671	0.9
139.53571	0.4
146.11717	0.9
175.14838	2.9
228.13509	0.5
241.27092	0.3
346.94376	0.3
355.22870	0.4
362.70670	0.3
373.18326	100.0
374.18704	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
55.01861	0.4
55.05499	0.9
56.96555	0.6
60.30989	0.3
67.05508	2.0
69.03422	1.2
69.07063	0.8
70.06567	0.4
71.04996	0.7
71.60553	0.5
72.09373	0.4
75.63863	0.3
78.04699	1.6
79.05479	1.3
81.03401	1.1
81.07043	1.7
83.04956	0.5
85.02885	1.3
85.06553	1.9
86.09704	1.6
89.03864	0.4
91.05485	1.7
93.07037	2.0
94.06548	0.5
95.04950	1.4
95.08607	1.1
97.02892	0.9
97.06524	0.8
103.05481	7.6
105.07018	2.4
106.04163	0.8
107.04980	2.0
107.08590	1.4
108.04510	0.6
109.06506	1.5
109.10155	0.8
115.05435	0.6
119.04942	0.4
119.08556	1.2
121.06489	0.9
121.10159	1.1
122.03674	0.5
123.04443	5.0
123.08060	1.0
123.11711	0.6
124.05202	1.5
124.07629	0.8
125.00003	0.6
125.09612	0.6
127.07539	0.7
131.04941	19.1
131.08531	0.5
133.02898	0.5
133.06483	1.3
133.10133	0.9
135.04378	0.5
135.08008	0.8
135.11746	0.6
137.05962	3.3
137.09598	0.5
143.08458	0.5
144.08063	0.5
145.02870	0.7
147.04405	0.8
147.11693	0.4
149.06015	0.9
151.03879	1.6
151.07527	0.8
152.04677	1.7
153.05350	0.4
154.08676	0.5
159.04295	0.5
159.11678	0.5
160.04021	0.5
160.05260	0.4
161.06001	1.4
163.07553	20.9
165.05602	0.5
165.09155	0.5
166.08755	0.4
167.07048	100.0
168.07562	2.0
173.06021	0.4
174.05389	0.5
175.07535	1.0
175.14912	0.5
176.14362	1.1
177.05502	1.5
179.07101	0.5
181.05005	0.6
181.06535	0.4
191.07062	1.2
193.08611	4.8
193.12285	0.5
193.15962	0.4
201.05568	0.9
202.15935	2.6
203.07065	0.7
203.14056	0.4
211.07825	0.6
211.09732	9.3
212.09625	0.4
220.16978	5.7
221.06007	0.5
222.09203	0.7
223.07339	0.4
225.10231	1.9
235.16815	0.4
237.09210	0.5
239.06918	0.4
239.11884	2.8
241.09770	0.4
250.08743	0.4
251.06923	0.4
252.08437	0.4
253.09552	1.2
267.11292	3.1
268.07498	0.5
269.12997	0.4
270.31226	0.4
271.09628	0.5
280.08463	0.5
281.08075	0.5
283.09695	0.9
293.08133	0.4
295.10596	2.0
300.13565	0.7
311.09146	0.7
313.11819	9.8
314.11987	0.6
315.12134	0.6
317.14911	0.9
323.09146	0.4
325.10742	0.7
327.12494	1.0
341.10513	1.1
343.11694	1.8
355.12036	1.5
359.12384	0.4
373.13892	20.5
373.18082	0.9
374.17749	0.7
376.07339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1647
Annotation	MEGxp0_001756
Peak:m/z	Relative Intensity
55.01870	4.2
55.05511	1.8
57.03410	1.7
61.44613	1.3
67.05509	7.4
69.03438	2.7
69.07069	4.9
69.74246	1.5
71.04998	1.9
71.59420	1.5
71.59839	2.3
78.18798	1.3
79.05484	10.2
81.03409	5.1
81.07063	8.1
83.04985	1.8
83.08623	2.4
91.05482	9.2
93.07071	7.5
95.04962	9.0
95.08607	7.5
97.02892	3.4
97.06535	8.6
103.05456	19.3
103.58863	1.4
105.07030	22.1
107.04961	18.5
107.08621	3.4
108.05252	1.5
109.02880	2.2
109.06483	3.1
109.10179	4.4
111.08099	1.6
115.05476	5.6
117.07032	3.4
118.04173	5.1
119.08601	4.6
120.05722	2.1
121.06505	5.7
121.10178	5.2
122.03697	2.5
123.04425	4.3
123.08103	3.0
123.11690	2.2
124.05218	4.3
125.05975	2.8
129.07028	2.4
130.04164	3.0
130.49400	1.5
131.04939	33.0
131.08559	3.3
132.05685	3.2
133.06506	22.0
133.10129	3.1
135.08080	4.1
135.11641	2.0
135.40338	1.4
137.05986	40.0
137.09642	2.3
138.06325	1.8
139.03810	1.5
141.06993	2.4
143.04967	1.8
145.06438	3.1
145.10147	1.5
146.03642	1.9
147.04408	5.7
147.11676	2.1
148.05185	4.0
149.05893	2.7
151.03928	4.0
151.07564	6.2
153.05473	3.9
157.06544	2.4
157.10121	1.8
159.08035	2.1
159.11774	2.7
160.05222	3.4
161.06000	25.8
163.07541	22.4
165.05624	1.8
165.06976	3.2
167.03415	2.3
167.07057	55.0
167.08411	2.2
169.06447	2.9
169.10165	1.5
173.06027	4.4
173.09528	1.6
175.03932	2.0
175.07568	29.2
176.04767	7.0
177.05504	5.4
177.09103	3.5
178.07751	3.3
179.07104	2.4
179.08600	4.2
181.06483	3.5
181.08652	4.8
187.07573	4.0
189.07001	2.0
190.07890	3.1
191.07036	65.1
191.08514	4.1
192.07733	7.5
192.09320	2.6
192.16805	1.5
193.08614	100.0
194.07314	4.2
194.09021	1.8
195.08051	3.3
201.09047	2.6
202.07828	3.3
203.08531	4.4
204.09358	1.7
205.06517	4.0
206.07295	4.1
207.08136	9.8
209.06200	1.6
209.09630	5.8
211.07565	3.2
213.09225	1.6
217.10298	2.6
219.08078	7.6
219.10126	2.5
220.08810	7.2
221.06020	3.7
222.06783	3.0
223.07556	5.3
224.08299	5.2
225.09050	2.1
231.08070	5.8
233.05963	3.8
233.09647	3.1
234.06667	7.2
234.10394	2.1
235.07578	10.5
235.11229	10.1
236.08307	6.2
237.05568	2.5
237.09183	11.1
238.06186	2.7
239.07074	5.6
241.08586	2.5
245.09647	4.6
247.07497	5.2
248.08342	8.6
249.05537	2.0
249.09009	8.7
250.06252	4.6
250.09760	1.6
251.07054	7.2
252.07890	6.3
253.04300	1.6
253.08702	6.0
254.09334	1.8
255.10159	1.6
256.07263	2.0
261.09067	4.4
262.06009	3.0
262.09967	6.0
263.07074	6.7
263.10663	14.6
264.07751	5.9
265.08649	15.8
265.11322	2.2
266.09290	4.6
267.06708	3.7
267.10242	9.9
269.11807	4.0
271.09518	2.8
276.07919	3.3
277.08612	6.9
278.09311	2.3
279.06357	2.6
279.10117	5.3
280.07321	4.8
280.10889	5.1
281.08054	4.9
281.11533	3.6
282.08847	4.0
283.09662	4.6
290.09378	4.1
291.10117	13.8
292.10922	3.3
293.08060	5.3
293.11362	2.8
294.08908	3.0
295.09677	22.8
295.13263	6.7
296.10358	3.3
297.11145	13.3
299.09146	16.6
299.12531	2.1
308.10373	7.5
309.11212	25.2
310.11865	4.7
311.09094	2.7
311.12567	3.5
312.09872	2.8
313.11560	6.8
314.11484	13.3
323.09290	2.0
323.12805	19.4
324.13452	3.7
325.10660	4.0
326.11740	3.4
327.12317	22.3
327.15909	2.5
328.12341	2.3
329.10098	3.0
329.13855	41.4
337.10574	2.7
340.13043	5.9
341.10611	2.0
341.13855	56.3
342.14029	2.4
343.11499	2.1
345.13257	4.4
355.11685	1.7
355.15405	22.4
373.12448	5.5
373.16980	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05922	0.4
53.03930	1.0
55.01863	0.7
55.05496	0.6
57.03421	0.5
59.04950	0.4
59.31723	0.4
65.03939	0.8
67.05482	1.8
69.03413	0.9
69.07061	0.6
70.06590	0.8
71.04950	0.6
71.26359	0.5
73.06531	0.5
74.59224	0.4
78.04699	1.1
79.05491	1.7
81.03392	1.0
81.07068	2.6
83.04976	1.0
85.02887	1.3
85.06525	1.7
86.09704	1.4
86.19149	0.4
91.05474	2.2
93.07048	2.2
95.04964	2.1
95.08598	1.9
97.02908	1.1
97.06506	0.5
103.05466	8.6
105.07030	1.7
105.63612	0.4
106.04178	1.1
107.04932	2.0
107.08604	1.4
108.04449	1.2
109.02856	0.6
109.06496	0.9
109.10133	1.1
111.08059	1.1
115.05427	0.6
116.98644	0.6
117.03379	0.6
119.04937	0.8
119.08604	0.9
120.08093	0.5
121.02914	0.5
121.06539	0.9
121.10132	1.5
122.03639	0.6
123.04430	5.2
123.08038	0.6
124.05206	1.2
124.07581	0.6
124.99999	0.5
127.03910	0.5
127.07524	0.8
131.04927	16.8
133.06451	0.8
133.10178	0.8
134.03685	0.7
135.04294	0.6
135.08043	0.9
135.11711	0.6
137.05972	3.3
137.09581	1.0
138.05510	0.6
140.07024	0.8
145.02859	1.0
145.10138	0.9
146.05988	0.6
147.04422	1.0
147.08014	0.5
148.07597	0.6
149.05972	1.4
151.03928	1.2
151.07446	0.5
152.04660	1.2
156.94960	0.4
161.06015	1.4
162.09180	0.5
163.07545	20.5
163.11230	0.5
164.07954	0.5
165.09334	0.5
166.08711	0.5
167.07043	100.0
168.07458	1.6
168.67883	0.4
173.05974	0.5
175.07570	1.0
175.14828	0.5
176.14297	1.2
177.05486	1.9
179.07092	0.7
181.04980	0.7
181.08611	1.0
191.07101	0.8
193.08612	5.8
195.08104	0.5
195.10178	0.6
201.05481	1.6
202.15912	2.6
203.07076	0.7
211.09927	5.9
212.09543	0.9
220.16946	6.8
221.06055	0.6
221.10735	0.6
222.09120	1.3
225.10248	3.9
226.10840	0.6
235.07600	0.7
237.02927	0.7
239.11815	5.1
250.06195	0.4
252.09088	0.8
253.09888	2.5
262.34537	0.4
267.11389	5.1
268.07196	0.5
268.11960	0.7
283.09515	0.8
284.11603	0.9
285.12323	0.7
295.10745	3.3
300.13477	0.6
313.11816	17.5
314.12289	0.7
317.15039	1.1
327.12393	0.8
341.10828	1.0
343.11847	2.0
355.11868	2.1
373.13925	38.3
374.13846	1.3
374.17899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03944	1.9
55.01882	0.4
55.05502	1.0
56.96569	0.4
57.03434	1.5
61.02920	0.4
67.05496	1.5
69.03436	1.6
69.07077	1.5
70.06585	1.9
71.01363	0.3
71.04989	0.7
71.59190	0.5
72.08151	3.1
73.02911	1.4
75.04473	0.3
77.03934	0.6
79.05491	2.8
81.03436	1.5
81.07057	1.7
82.72314	0.3
83.04989	0.7
83.06107	1.8
83.08607	0.5
84.04510	1.8
84.08142	1.0
85.02911	6.1
86.09707	12.4
91.05475	1.3
93.07064	1.5
95.01329	2.7
95.04976	5.8
95.08608	0.7
97.02890	1.9
97.06540	0.3
98.97563	0.3
99.04446	0.3
99.08089	0.5
101.02382	0.4
103.03938	0.5
105.03393	100.0
105.07019	1.4
106.03729	1.2
107.04939	0.5
107.08557	0.5
109.02873	0.6
109.06585	0.5
109.10154	1.2
110.07146	0.3
111.04472	0.5
111.08090	0.5
113.01626	0.3
113.02378	1.0
114.05543	0.4
116.98663	0.5
119.04929	1.4
119.08582	0.7
121.02847	0.5
121.06472	0.4
121.10185	0.3
123.04441	4.2
123.08019	0.5
123.11682	0.3
125.09660	0.3
127.03907	1.3
129.06625	0.9
129.10254	1.2
131.03403	0.6
132.10242	1.8
133.06422	0.3
133.10117	1.1
133.47108	0.3
135.04349	0.3
135.08070	0.6
135.11737	0.5
137.05971	1.4
137.09599	0.4
141.01834	5.9
143.11781	0.6
145.02971	0.3
145.04973	0.6
147.04425	2.1
148.04858	0.4
149.05998	0.4
151.07526	1.0
151.11105	0.3
152.10707	0.4
155.03401	0.9
157.13350	1.0
159.02905	0.9
162.05557	0.3
162.06737	0.4
163.03802	0.3
163.07538	0.4
165.09111	1.1
167.07053	0.6
168.14638	0.3
170.05771	4.7
171.11330	0.5
172.03993	0.7
173.06039	0.3
175.14856	0.4
177.05449	0.7
179.07037	30.6
180.07442	0.8
182.15424	0.3
185.12843	0.7
189.12411	0.7
191.07001	0.4
193.08620	2.6
193.12190	0.7
193.15840	0.3
196.14430	1.4
197.08095	12.3
197.12883	1.2
198.08525	0.3
201.05473	0.8
203.13960	0.8
204.06664	0.9
210.14987	0.3
211.09627	3.2
211.13277	0.4
214.15543	0.8
224.14047	0.7
225.12451	0.3
230.12683	0.3
242.15076	0.7
245.18535	0.3
270.14523	0.4
285.09851	0.4
325.10895	0.3
337.09531	0.3
338.21631	0.4
355.19446	0.3
355.23254	1.3
373.12738	1.4
373.18161	8.9
373.23676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61143	1.8
53.03947	2.5
53.36784	1.7
57.03434	16.3
59.05002	3.8
60.04528	1.9
61.02919	5.0
69.03434	64.8
69.03814	3.1
69.07082	2.1
70.06587	2.4
70.84123	5.5
71.01346	1.7
71.04994	2.7
73.02921	4.6
73.04762	2.4
75.04494	3.5
81.03400	4.2
84.08130	2.2
85.02908	89.6
87.04473	50.4
91.03954	4.0
91.05819	16.3
94.61325	1.9
97.02896	60.4
98.97603	1.7
98.98473	2.7
99.04456	4.2
101.07183	1.6
103.04004	1.9
106.06525	1.9
109.02874	6.8
113.20819	1.8
115.03934	67.9
116.98623	2.6
119.04935	2.2
124.07566	2.3
127.03934	43.3
133.04971	100.0
134.99638	1.9
145.03896	3.4
145.04980	42.8
145.06133	2.8
147.04434	6.4
150.07607	10.2
163.06033	22.3
172.95222	1.9
177.00682	2.8
192.06540	2.1
193.10828	2.1
203.72345	1.7
223.11804	7.0
237.02812	3.3
241.07082	4.2
259.08047	4.1
269.98007	2.2
277.09161	2.1
286.01010	5.9
295.10303	3.4
356.07138	4.9
357.06680	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59148	0.5
55.01880	0.9
56.76676	0.4
57.03443	1.7
58.06606	1.9
59.07389	1.1
69.03441	0.6
69.99575	0.4
70.07092	1.9
70.07514	1.0
70.89842	0.4
73.02923	1.0
74.50389	0.4
79.29277	0.5
80.05041	0.6
84.77340	0.4
85.02919	1.3
91.05535	0.4
93.29650	0.4
97.02889	0.7
100.64345	0.4
106.02905	2.0
109.13773	0.4
115.03954	0.8
118.08659	100.0
119.04931	0.5
119.08981	1.3
123.05556	61.0
124.05939	0.6
133.04953	1.3
147.04401	1.8
148.04796	0.8
154.94781	0.5
156.04230	3.2
185.02887	0.6
186.03094	0.5
242.57692	0.4
244.25218	0.5
250.12784	1.1
255.09747	8.7
261.23743	0.5
312.01587	0.7
312.06223	1.1
373.03000	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	371.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	17.0
56.43620	4.3
57.07074	46.1
62.11211	4.2
67.05507	61.1
69.07056	21.6
69.60384	32.5
70.06578	6.7
70.64392	4.1
71.08632	32.1
79.05464	6.6
81.07058	27.3
83.08569	10.5
85.10156	12.5
88.07636	11.6
89.05997	6.7
93.07027	9.3
95.08611	32.0
97.10173	7.6
99.98318	4.0
106.08665	19.2
107.08588	11.7
109.10155	100.0
111.11747	9.0
119.08639	4.8
121.10146	11.6
123.11707	9.1
127.11184	19.1
135.11687	12.5
137.13174	4.7
138.64159	4.3
149.13246	9.8
211.20561	26.8
255.88324	4.5
317.32162	12.7
335.33017	8.9
371.13037	9.8
372.13367	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48910	14.3
55.05509	64.2
64.11720	12.8
65.56444	13.1
67.05501	32.6
69.07073	16.5
70.08821	48.8
70.09235	28.5
79.05501	16.9
81.07054	43.2
83.04978	69.5
93.07037	19.4
95.08595	100.0
97.50837	13.7
100.20545	12.0
100.68423	17.3
105.07056	27.7
107.08565	35.5
109.10172	50.1
119.08575	33.5
121.10154	23.7
133.10110	62.3
140.00389	13.3
145.10135	29.0
147.06516	21.5
147.11682	44.5
159.11697	36.6
161.13219	14.8
173.13315	29.0
179.81300	13.4
187.14908	20.6
201.16399	30.8
215.17972	44.7
222.82924	14.5
271.24203	72.3
371.25549	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	16.2
57.07071	5.8
67.05509	27.8
69.03428	4.4
69.07073	36.8
71.60995	3.9
79.05488	20.4
81.07059	100.0
83.04958	2.9
83.08633	13.9
88.58092	2.7
91.05472	17.3
93.07048	67.0
95.04977	6.9
95.08041	5.2
95.08609	61.6
97.06518	5.1
97.10160	9.7
101.06053	3.2
105.07036	52.3
107.08597	78.4
109.06543	5.4
109.10161	56.4
111.88926	2.6
117.07109	3.2
119.08591	57.3
121.10154	62.7
123.11705	28.4
131.08542	6.6
133.10135	31.6
135.11688	50.7
137.13232	8.5
139.07500	3.3
145.10124	14.7
147.11694	45.2
149.13263	30.6
153.09120	4.0
157.10107	4.5
159.11708	11.5
161.13255	30.6
163.11104	3.5
163.14832	18.6
169.56955	2.9
171.11751	5.0
173.13293	8.0
175.14850	16.3
177.16327	20.5
187.14853	5.8
189.16393	17.7
191.17825	13.7
199.14772	4.7
201.16376	6.7
203.17981	57.5
215.18066	5.0
229.19366	3.5
271.24210	6.5
290.64212	3.2
353.28464	4.0
371.29568	47.5
371.40622	6.0
372.29581	3.3
372.41989	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	371.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92782	7.6
54.96114	7.0
55.05513	63.1
55.41462	6.5
55.74265	6.1
57.07062	9.0
67.05494	28.3
69.07058	16.2
69.50665	48.0
69.51069	9.8
79.05476	18.0
81.07040	48.7
83.04984	100.0
83.08639	17.3
89.06030	13.2
91.05457	10.5
93.07041	16.0
95.08595	98.7
98.20747	14.3
101.05997	9.1
105.07024	22.5
107.08598	41.6
109.10163	56.2
119.08596	44.1
121.10120	37.6
123.11708	19.5
131.08562	8.3
133.08574	14.4
133.10118	74.9
135.11635	12.5
136.20207	7.5
145.10120	20.3
147.11685	55.0
149.13235	13.4
153.76865	7.3
159.11649	33.0
161.13297	16.0
163.14799	17.6
173.13260	16.7
175.14804	24.4
184.00998	6.3
187.14766	10.0
189.16360	9.6
201.16446	37.2
203.17946	8.1
215.17955	62.2
255.18546	8.1
271.24255	92.9
279.02927	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	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01868	7.7
55.05510	48.3
57.03440	8.7
57.07067	8.6
58.90479	1.4
59.04988	2.9
65.03943	1.9
67.05502	93.6
68.05854	2.2
69.03423	4.3
69.07063	60.5
70.32625	5.5
71.04990	4.4
71.08633	11.5
74.00665	3.3
79.05054	3.1
79.05492	40.5
81.07053	100.0
83.04984	9.8
83.08612	30.3
85.06551	9.0
85.10152	2.0
89.31941	1.7
91.05456	13.2
93.07042	38.5
95.04960	4.2
95.08601	73.0
97.06525	10.0
97.10168	28.7
98.10471	1.7
99.08088	9.5
101.06009	4.1
105.07036	13.4
107.08590	39.6
109.06532	3.3
109.10152	50.7
111.04492	2.3
111.08094	6.7
111.11716	5.0
113.09601	2.7
117.07022	6.8
119.08574	10.5
121.10140	17.7
123.08085	2.7
123.11700	18.4
125.09612	20.0
127.11191	1.8
129.05527	2.3
129.07008	1.9
131.08542	8.8
133.10124	7.2
135.08044	6.7
135.11688	28.4
137.09729	2.3
137.13278	11.1
145.10112	6.9
147.06491	2.2
147.11676	12.9
149.09650	4.1
149.13266	10.1
151.14821	4.4
153.09134	1.7
153.12735	9.9
158.72400	2.1
159.11711	4.3
161.13261	5.8
163.11256	3.2
163.14828	7.2
165.12753	4.7
171.10170	3.4
173.11707	6.2
173.13292	7.1
175.14801	2.6
177.12759	3.5
177.73380	1.7
179.14297	3.0
181.12186	4.5
181.15898	2.2
187.13292	2.4
187.14828	6.1
189.11176	14.4
191.14304	1.8
195.13751	2.7
200.65782	1.9
205.15822	2.2
209.15372	2.5
223.16975	4.0
227.12762	6.3
233.22620	3.7
243.21080	12.2
245.13873	7.6
261.22150	35.2
262.22491	2.2
279.23181	81.8
280.23511	6.2
292.67401	1.6
297.24304	2.9
353.26849	89.4
354.27200	7.5
371.17450	1.8
371.27881	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	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01862	6.2
55.03168	2.4
55.05513	50.6
56.96558	5.2
57.03428	8.2
57.07068	9.0
59.89251	3.0
67.05505	100.0
69.07063	41.7
70.01147	8.3
70.01562	5.8
71.04985	4.8
71.08633	51.0
75.86397	3.4
79.05499	38.8
81.07056	95.0
83.04982	13.5
83.08609	27.8
85.06546	4.5
87.04430	2.8
88.51038	3.1
91.05460	21.9
93.07041	37.1
95.08611	78.7
97.06527	10.9
97.10176	22.5
99.08092	41.1
101.06018	2.9
105.07039	15.6
107.08584	36.8
109.06503	5.8
109.10152	46.4
111.08080	3.8
111.11729	3.6
116.29716	2.6
117.07018	4.5
118.36914	2.7
119.08603	15.9
121.10139	23.7
123.11704	16.3
125.09631	12.9
129.05475	3.8
129.50739	2.9
131.08560	16.0
133.10123	10.8
135.11711	23.9
137.09628	3.7
137.13243	11.8
145.10106	11.8
147.06546	3.4
147.11687	26.9
149.13234	7.3
151.14832	4.6
153.12788	14.6
159.11708	4.8
161.13251	5.6
163.11150	5.8
163.14853	14.5
164.80171	2.7
165.12749	9.6
167.14343	3.9
167.21149	3.0
173.11749	10.9
173.13278	9.1
175.14880	4.3
177.12674	3.5
177.16422	4.5
181.15790	3.4
187.14912	5.1
189.11252	11.7
191.14355	4.1
201.16356	3.9
209.15445	3.6
223.17015	5.0
227.12825	8.4
243.21037	15.0
245.13977	5.1
261.22092	39.0
279.23196	99.3
280.23486	6.9
325.16861	5.0
353.26883	95.1
354.27142	4.7
371.28229	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01862	6.2
55.03168	2.4
55.05513	50.6
56.96558	5.2
57.03428	8.2
57.07068	9.0
59.89251	3.0
67.05505	100.0
69.07063	41.7
70.01147	8.3
70.01562	5.8
71.04985	4.8
71.08633	51.0
75.86397	3.4
79.05499	38.8
81.07056	95.0
83.04982	13.5
83.08609	27.8
85.06546	4.5
87.04430	2.8
88.51038	3.1
91.05460	21.9
93.07041	37.1
95.08611	78.7
97.06527	10.9
97.10176	22.5
99.08092	41.1
101.06018	2.9
105.07039	15.6
107.08584	36.8
109.06503	5.8
109.10152	46.4
111.08080	3.8
111.11729	3.6
116.29716	2.6
117.07018	4.5
118.36914	2.7
119.08603	15.9
121.10139	23.7
123.11704	16.3
125.09631	12.9
129.05475	3.8
129.50739	2.9
131.08560	16.0
133.10123	10.8
135.11711	23.9
137.09628	3.7
137.13243	11.8
145.10106	11.8
147.06546	3.4
147.11687	26.9
149.13234	7.3
151.14832	4.6
153.12788	14.6
159.11708	4.8
161.13251	5.6
163.11150	5.8
163.14853	14.5
164.80171	2.7
165.12749	9.6
167.14343	3.9
167.21149	3.0
173.11749	10.9
173.13278	9.1
175.14880	4.3
177.12674	3.5
177.16422	4.5
181.15790	3.4
187.14912	5.1
189.11252	11.7
191.14355	4.1
201.16356	3.9
209.15445	3.6
223.17015	5.0
227.12825	8.4
243.21037	15.0
245.13977	5.1
261.22092	39.0
279.23196	99.3
280.23486	6.9
325.16861	5.0
353.26883	95.1
354.27142	4.7
371.28229	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2581
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
52.79978	1.2
53.03935	1.8
55.05514	45.8
56.19368	1.3
57.07059	1.8
67.05512	13.2
69.07070	6.8
71.57728	1.8
73.06556	1.4
79.05497	5.2
81.07052	9.1
83.04984	100.0
83.08616	3.3
84.05317	1.6
87.38585	1.3
91.05470	4.7
93.07056	10.5
95.04972	12.4
95.08609	10.0
97.06540	4.2
99.08076	1.6
105.07039	15.7
107.08604	9.8
109.06551	3.0
109.10164	8.1
111.24820	1.3
117.07029	3.3
118.53991	1.2
119.08588	15.6
121.06533	1.8
121.10144	9.8
123.08063	1.7
123.11721	3.5
129.05475	2.2
129.07004	3.2
131.08563	10.7
133.10136	11.9
135.08037	4.3
135.11676	6.0
139.07536	3.4
142.07823	1.8
143.08565	6.2
144.09335	3.0
145.10089	13.9
147.11676	6.1
149.09639	2.0
149.13255	2.7
155.08551	2.7
156.09363	3.6
157.10129	10.6
158.10945	3.1
159.08052	2.5
159.11682	22.2
161.13268	6.0
163.11186	3.2
169.10118	4.1
171.11691	16.6
173.11774	2.1
173.13261	32.0
175.11224	3.2
175.14828	4.9
183.11699	6.5
185.09634	3.6
185.13274	6.7
187.11194	2.1
187.14844	3.2
191.14407	1.9
195.11728	3.7
197.13240	3.8
199.11177	3.2
199.14777	2.5
201.12753	2.1
209.13313	3.0
211.14839	4.9
213.16385	10.9
223.14778	1.6
225.16359	4.3
227.17937	23.0
237.10466	1.4
237.16309	7.0
241.15755	3.0
243.17374	2.6
243.21167	5.4
251.18004	1.9
253.19524	2.3
255.17427	19.6
257.19098	3.4
269.19070	1.5
271.20499	4.7
273.18515	14.8
274.18692	1.3
307.24188	4.4
311.23920	1.7
325.25281	13.6
335.23703	10.1
353.24780	22.7
371.25726	11.4
371.29672	1.8
387.51001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	7.1
55.05514	23.5
57.07076	7.2
67.05505	25.9
69.07069	17.2
70.07453	21.4
71.04975	6.7
79.05506	28.9
81.07066	45.9
83.04993	14.6
85.02866	7.6
85.06533	7.2
90.64702	5.4
91.05505	28.9
93.07050	100.0
95.04964	10.1
95.08620	58.1
97.06518	14.4
99.33453	5.9
101.06047	11.8
105.07038	40.3
107.08611	38.9
109.06499	7.6
109.10156	25.4
117.06985	8.2
119.08591	56.3
120.19817	5.1
121.06537	5.9
121.10154	34.7
123.08073	13.9
123.11748	12.7
131.08560	17.9
133.10164	40.9
135.11702	18.3
139.07562	43.1
142.07831	5.6
143.08565	12.7
145.10114	33.5
147.06506	7.8
147.08078	6.1
147.11708	18.8
149.09633	9.8
155.08517	7.0
157.10127	27.0
159.11731	24.0
161.09554	7.7
161.13177	6.8
169.10110	13.7
171.11725	14.5
173.13297	16.3
175.14850	15.5
183.11812	9.4
185.13258	9.2
187.14915	17.4
197.13339	7.8
209.13365	8.4
211.14806	6.6
213.12653	7.2
223.14795	6.8
261.22198	10.9
266.37231	6.0
318.00961	5.6
350.17297	11.4
350.67654	7.2
371.25824	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	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03945	6.1
55.01875	1.5
55.05511	7.8
57.03434	3.1
57.07075	0.5
61.02924	1.2
67.05507	13.1
67.20918	0.4
69.03437	5.7
69.07075	7.3
71.04995	9.6
71.60372	0.5
73.02940	0.6
73.06588	0.5
73.32160	0.5
79.05504	6.6
80.06308	0.5
81.03423	100.0
81.07059	20.8
81.92786	0.4
82.03763	1.5
82.07388	0.7
83.04991	3.6
83.08631	5.0
84.04514	0.6
85.02908	7.0
85.06541	2.8
86.09715	0.8
91.03980	0.5
91.05476	7.0
93.07057	6.3
95.04427	0.4
95.04990	1.8
95.08613	23.3
97.02895	7.4
97.06526	5.1
97.10185	1.4
97.13763	0.4
99.04458	18.9
99.05109	0.9
99.08112	1.3
101.06003	0.5
103.05482	0.9
105.07031	7.6
107.04953	1.0
107.08598	4.1
109.02888	2.2
109.06525	2.1
109.09560	0.4
109.10144	2.6
111.04467	1.7
111.08102	1.2
113.09624	0.5
115.05476	0.6
117.06992	0.7
117.36879	0.4
119.08578	9.1
121.06506	1.1
121.08076	0.5
121.10157	2.8
122.07255	0.5
123.08090	2.7
125.09702	0.5
127.03911	3.8
129.07034	0.7
131.04950	0.8
131.08528	0.9
133.06517	0.9
133.10136	5.9
135.08061	2.6
135.11708	4.1
137.05992	1.2
137.09633	1.2
137.13223	2.2
139.03918	1.9
145.05002	2.4
145.06398	0.4
145.10194	0.6
146.09618	0.8
147.04494	0.6
147.11679	0.8
148.11272	0.7
149.05971	0.6
149.13319	0.6
151.07590	2.0
155.04970	0.7
157.04965	12.4
157.06242	0.7
159.08026	0.8
161.06001	1.2
161.13264	11.9
165.12772	4.8
167.07036	2.5
175.07649	1.5
177.05495	0.5
179.14302	5.1
180.49680	0.5
191.07126	0.6
191.14340	4.9
193.15956	0.7
197.15405	1.0
209.15454	0.8
215.07178	0.7
217.08569	0.9
219.08096	0.9
233.06110	0.5
233.09711	0.9
235.07544	0.6
237.09224	0.8
248.08414	0.6
249.09201	0.6
261.09103	0.8
264.07782	0.9
265.08759	0.7
267.10345	0.4
270.51425	0.4
277.17908	0.5
278.09406	0.5
279.10284	1.6
281.08090	0.5
281.11560	0.6
289.08850	0.5
291.10049	0.7
293.11774	0.9
295.19049	0.7
307.09814	0.6
309.11194	0.6
311.12808	3.4
321.11157	0.6
323.12933	0.8
335.12845	1.6
339.12299	1.7
339.84583	0.5
341.13812	1.1
353.14008	0.9
353.19781	0.7
367.30130	0.5
371.14908	1.8
371.20798	10.0
372.21536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.5
55.01866	2.0
55.05517	11.8
55.70243	0.7
56.96558	1.1
57.01843	0.8
57.03434	2.3
58.32819	0.6
61.02929	1.5
65.03931	1.8
67.05510	15.0
69.03426	6.5
69.07073	8.8
70.98908	0.7
71.04997	10.0
71.59412	1.2
71.59817	0.7
73.02926	0.8
79.05495	10.4
79.25205	0.7
81.03423	100.0
81.06582	1.4
81.07061	26.0
82.03751	1.2
83.04984	4.9
83.08637	4.8
84.04493	1.0
85.02909	8.5
85.06538	3.3
86.09709	1.0
87.04491	0.8
90.84046	0.7
91.03954	1.1
91.05477	10.3
93.07051	11.0
95.04986	3.4
95.08612	29.2
96.08936	0.8
97.02894	7.3
97.06525	6.8
97.10179	2.4
98.97615	0.9
99.04462	21.6
99.08109	1.8
101.06046	1.3
103.05465	1.4
105.07042	10.2
107.04966	2.3
107.08616	5.2
109.02922	2.4
109.06550	2.9
109.10146	4.5
111.04474	1.7
111.08093	2.1
117.07017	1.6
119.08596	10.7
121.06561	1.4
121.10143	8.0
123.04421	1.2
123.08076	3.3
123.11732	1.4
125.05960	0.9
127.03943	3.6
129.05498	1.0
129.07030	1.0
131.08609	2.8
133.06529	2.1
133.10135	6.6
135.08058	4.5
135.11667	5.4
137.05975	4.0
137.09645	1.5
137.13292	2.8
139.03943	2.4
145.04977	2.6
145.10152	1.7
147.10616	0.7
147.11720	2.0
151.07590	1.0
151.11185	0.7
156.05690	1.1
157.04994	12.7
159.08162	1.4
161.06003	2.5
161.13272	14.5
163.11223	1.4
165.12819	5.1
167.07054	7.7
175.07509	1.7
177.05499	2.3
179.14348	6.1
181.04924	0.8
187.07570	1.5
191.07127	1.7
191.14291	5.1
192.07822	0.8
193.08708	1.5
197.15456	1.3
203.18039	2.4
209.15436	1.7
217.08641	2.6
218.07321	0.9
219.08049	0.9
231.08134	0.9
233.09668	1.0
239.16264	1.0
239.20117	2.1
247.09755	0.9
249.09119	1.1
261.09360	0.8
264.07883	1.2
265.08624	1.3
266.09506	1.0
277.08737	1.4
278.09232	0.9
279.10135	1.1
280.07419	1.2
281.08090	0.9
281.11923	0.7
285.07709	1.1
293.08298	0.9
293.11667	1.7
300.10040	1.1
307.09933	0.9
309.11337	2.2
311.12924	1.4
321.11456	1.2
339.12247	7.3
341.10300	0.9
341.14032	2.0
353.13980	2.0
371.14935	7.7
371.20761	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.5
55.01871	11.3
55.05261	2.1
55.05510	27.8
57.03437	8.7
57.07060	3.3
59.05002	2.6
61.02932	9.8
67.05508	7.2
69.03435	43.5
69.07056	5.7
70.06573	3.6
71.04969	5.1
71.06732	3.7
73.02902	5.7
79.05502	11.6
81.03419	14.9
81.07047	13.2
83.01344	1.5
83.04987	52.4
83.08624	32.6
85.02911	60.1
85.06519	4.8
85.65656	1.2
86.09695	2.0
87.04487	7.3
91.03954	2.8
91.05458	9.1
93.07043	13.0
94.16469	1.3
95.04977	30.3
95.08606	11.3
97.02894	28.2
97.06521	8.2
97.10165	3.2
98.97582	2.6
99.04463	12.0
99.08087	2.8
101.06024	2.1
103.03962	8.1
103.05453	6.0
105.07041	26.0
107.04966	9.8
107.08604	16.8
109.02890	10.3
109.06518	6.9
109.10159	13.7
111.04434	4.1
111.08066	7.3
112.11229	3.1
113.06019	1.7
115.05450	4.5
116.98654	1.8
117.06995	1.7
118.04169	1.5
119.04942	3.1
119.08564	6.1
120.08095	1.7
121.06552	8.9
121.10159	10.6
123.04403	3.8
123.08083	9.7
123.11682	4.9
125.06004	7.5
125.09628	10.8
127.03927	15.5
128.06209	1.5
129.05516	1.7
131.04929	4.6
131.08585	3.4
132.05679	2.5
133.06485	16.9
133.10135	6.2
134.06723	1.5
135.04402	3.9
135.08028	3.0
135.11707	2.8
137.05949	6.9
137.09613	2.1
139.03981	1.4
139.07602	1.8
139.11174	22.0
141.06911	1.4
145.04961	8.1
145.06448	2.3
145.10080	3.9
147.04393	4.9
147.07990	2.7
147.11722	3.1
149.05994	9.0
149.09618	4.4
149.13255	5.4
151.03914	5.5
151.07550	2.8
151.11191	32.5
153.09158	9.4
155.07018	1.8
159.11597	1.5
161.05981	14.6
161.09673	2.5
161.13243	2.0
162.06578	1.4
163.03874	6.4
163.07544	3.0
163.11212	2.2
167.07060	30.9
167.12993	2.6
167.14326	34.5
168.14702	1.7
169.12230	9.0
173.09605	2.1
173.13260	3.6
177.05472	5.5
177.09123	2.0
181.08588	4.9
181.12241	32.5
185.08102	7.8
187.07539	3.3
187.11082	1.5
189.09018	2.0
191.07048	9.3
191.10706	1.9
191.14279	4.8
193.06847	2.5
193.08624	46.2
194.08929	1.6
195.10152	4.5
207.06578	2.4
209.08029	5.2
209.15373	100.0
211.09538	1.5
217.08669	2.1
229.12256	1.8
233.15324	7.9
237.14861	1.5
239.16454	1.9
249.09320	1.4
263.16437	4.1
275.16592	3.0
287.16470	1.6
293.11490	1.3
293.90009	1.4
295.15289	1.6
300.09900	2.0
313.16519	3.0
317.17392	3.0
321.11081	2.3
335.18582	5.3
339.12158	4.1
353.13919	2.8
353.19293	3.4
371.16275	16.0
371.20682	24.3
371.33765	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	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03931	6.0
55.01854	4.0
55.05512	29.0
57.03421	8.2
57.07081	20.3
61.02924	5.1
67.05507	18.9
69.03436	35.1
69.07070	37.3
69.44627	24.2
71.01366	4.2
71.04987	8.4
71.08636	4.2
73.02953	3.5
79.05492	28.9
81.03410	10.5
81.07059	97.5
83.04985	28.5
83.08624	68.5
83.65001	2.8
84.08924	2.6
85.02424	4.5
85.02905	47.3
85.06538	12.1
87.04466	4.2
87.09488	3.2
91.05440	15.9
93.07044	44.2
95.04977	21.5
95.08613	23.8
97.02888	14.5
97.06525	15.2
99.04473	8.4
105.07040	24.0
107.04940	3.4
107.08601	57.1
109.02883	8.4
109.06513	100.0
109.10165	69.9
110.06835	4.0
111.04449	3.2
111.08084	25.0
119.08603	15.6
121.06551	3.0
121.10152	44.2
122.10464	3.2
123.08081	11.8
123.11723	29.5
125.09642	5.9
125.13252	11.7
127.03937	32.5
127.07561	6.4
129.05490	5.5
129.07004	7.1
131.08574	46.2
133.06544	3.0
133.10133	91.2
135.08052	28.6
135.11659	6.0
137.05891	4.4
137.09619	4.2
137.13266	4.8
139.07613	3.1
139.11174	4.5
141.09052	3.4
145.04994	6.0
145.10101	8.3
147.04404	4.6
147.08031	10.0
147.11710	7.5
149.05937	2.9
149.09616	6.2
149.13252	69.4
151.11209	12.6
153.09099	16.3
158.10893	5.2
163.03958	3.5
163.14818	11.4
165.12794	4.4
167.06990	4.9
167.14313	76.3
168.14674	3.6
169.12299	5.7
171.10179	12.2
171.11575	3.9
173.13269	42.7
175.07590	22.1
175.11235	8.7
176.11555	12.2
177.05479	10.7
178.05800	6.0
179.03453	3.5
179.06018	5.6
187.06030	4.5
191.14326	84.1
192.14743	6.6
209.15366	67.0
210.15779	5.9
227.16425	9.5
289.40094	3.1
335.18448	4.6
353.19638	11.3
356.17984	5.8
371.17010	14.3
371.20764	11.8
388.63440	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01860	1.2
55.05515	6.5
56.67123	0.6
56.96556	0.8
57.03432	1.9
57.07079	4.2
58.71018	0.6
59.04994	1.4
61.02895	0.7
65.03948	0.6
67.05508	3.5
69.03433	9.9
69.06725	0.8
69.07068	8.7
70.06593	1.4
71.01330	1.0
71.04982	1.1
71.55057	1.4
73.02942	0.7
79.05492	7.9
80.05834	0.7
81.03423	4.9
81.07061	26.3
82.07384	0.7
82.14076	0.6
83.04974	6.0
83.08625	14.8
84.04488	0.9
84.08135	1.5
85.02905	8.8
85.06536	1.2
86.09704	2.2
91.05422	3.5
93.07056	9.6
95.04967	5.2
95.08621	5.4
96.20953	0.6
97.02907	4.5
97.06515	3.3
97.10157	1.0
98.97588	1.1
99.04466	3.1
105.03399	4.9
105.07034	5.2
107.04937	1.1
107.08603	11.6
109.02853	1.7
109.06525	18.0
109.10166	14.9
111.04434	1.1
111.08080	5.7
119.04940	1.1
119.08608	3.5
121.02871	2.3
121.06518	1.4
121.10151	11.0
123.04475	0.7
123.08073	2.9
123.11705	7.3
125.05994	1.0
125.09637	1.2
125.13274	1.1
127.03931	6.8
127.07597	1.6
129.05475	1.8
131.08554	2.5
131.31371	0.6
133.06476	1.1
133.10135	8.2
134.99664	0.7
135.08046	3.0
135.11687	1.9
137.05994	1.3
137.09618	1.5
137.80905	0.7
138.84070	0.7
139.07524	1.0
143.08423	0.7
145.02908	1.3
145.04967	1.8
145.10149	1.0
147.04420	2.3
147.08018	0.9
147.11728	1.9
149.09666	1.6
149.13261	13.3
151.07536	1.0
151.11220	3.0
153.09122	2.6
161.13107	0.7
163.14821	3.2
165.09171	0.7
167.07062	2.4
167.14319	16.7
169.12270	2.5
171.10196	2.2
173.13258	5.5
177.05525	2.4
178.05849	1.6
187.07474	0.8
188.53175	0.7
189.12651	0.7
191.10600	0.7
191.14299	13.4
193.08612	1.7
197.07980	0.9
209.11569	1.9
209.15366	11.4
209.17130	1.1
210.15112	0.7
214.28658	0.6
227.16333	1.3
315.14258	0.8
335.18613	1.3
353.14105	0.7
353.20166	2.3
371.16806	100.0
372.12366	1.2
372.17081	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01867	2.1
55.05507	6.1
57.07068	4.8
67.05513	17.0
69.03425	4.1
69.06732	2.0
69.07081	30.7
69.27483	1.4
70.06589	2.0
71.05006	1.8
71.08629	1.6
71.21934	3.4
79.05490	16.4
81.07064	100.0
82.07375	3.4
83.05016	2.1
83.08620	2.5
85.02911	4.9
87.09238	1.7
91.05447	7.2
93.07050	10.1
95.04956	5.8
95.08616	51.9
95.09236	2.5
96.08939	1.9
97.02901	2.7
97.06516	2.3
98.98493	1.6
103.05480	3.1
105.07044	8.0
107.04977	10.2
107.08606	12.4
109.06530	6.3
109.10152	10.5
111.04497	2.1
115.05469	2.5
117.07007	1.6
119.08558	4.2
120.08094	1.7
121.06500	3.4
121.10132	13.0
123.04432	2.6
123.08064	1.5
129.05527	1.7
129.07001	3.3
131.04961	4.2
131.08577	4.9
132.05704	2.3
133.06468	4.5
133.10146	73.8
134.10466	2.3
135.08092	10.3
135.11725	3.7
136.93161	3.2
137.05998	13.2
137.08224	2.0
137.08437	2.3
137.09627	35.1
137.13257	17.8
144.05771	2.0
145.10104	1.7
147.04401	8.5
147.06569	2.1
147.11653	1.6
149.05936	3.0
149.13290	8.7
149.14365	1.4
151.07527	2.0
151.11276	1.9
153.05418	2.0
154.94153	11.1
155.07083	2.1
156.05692	2.6
157.06522	1.4
159.08070	3.8
161.06009	5.3
163.07527	1.6
167.07060	39.6
167.10735	1.5
168.07350	1.9
172.95245	36.0
172.96725	2.0
173.13284	3.8
174.70909	1.3
175.07550	7.0
177.05490	3.8
179.07123	1.9
181.04967	1.6
187.07619	10.6
188.92458	2.7
189.09151	2.3
190.07756	1.7
190.96286	26.4
191.07025	2.6
191.08620	1.4
191.14326	29.4
192.07860	4.9
193.08566	2.1
195.96794	2.1
196.43585	1.4
199.07483	3.0
209.15340	11.1
210.14764	1.6
213.97836	1.8
215.08444	2.8
217.08614	6.1
219.08000	2.5
231.07971	1.8
233.09624	2.4
234.06815	3.1
234.90793	2.6
235.07436	2.7
239.07184	1.9
241.08556	1.6
243.07762	2.0
247.07440	1.6
247.09712	2.8
249.09088	3.8
251.06894	2.2
252.91893	18.4
261.09109	2.8
263.07071	2.6
270.92941	33.3
277.08688	3.4
278.09186	2.2
279.06464	1.5
281.11716	2.8
285.07623	3.8
289.02914	4.9
289.08344	1.6
291.06680	9.8
291.09952	2.4
292.07034	1.6
293.08319	2.0
293.11502	3.2
293.94467	4.1
295.09659	2.3
300.09888	6.5
301.10419	1.6
307.04095	1.6
307.09763	2.9
309.07635	5.0
309.11243	6.4
321.11157	7.1
326.11511	2.5
339.12213	5.1
341.13898	7.9
348.06467	2.2
353.13751	6.5
371.03479	8.6
371.14978	9.3
372.15530	1.6
389.04333	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	371.1676
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
50.58994	0.3
57.87221	0.2
59.12653	0.2
70.06591	0.3
70.83841	0.6
85.02915	0.2
125.07135	0.4
193.08524	0.3
209.11591	1.4
335.24973	0.3
353.20734	0.7
371.16766	100.0
372.17151	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	371.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
56.96552	2.9
58.06581	1.8
59.06124	26.8
60.04514	2.8
60.06460	1.2
62.06078	2.6
66.40971	1.2
67.05490	1.8
69.03410	3.5
70.06582	4.6
71.04980	1.6
71.08631	1.6
71.57853	2.2
72.08155	1.4
73.04743	5.3
73.07676	2.2
74.01746	1.4
75.05622	1.4
79.14212	1.4
81.07022	2.5
83.04977	4.0
84.04499	1.5
84.08137	3.8
85.02922	3.1
85.07668	21.8
86.06066	7.4
86.09707	2.1
87.04450	2.6
91.05798	34.4
93.07037	3.1
95.04968	3.0
97.02889	2.8
97.06527	1.4
101.06010	3.9
101.07127	5.9
102.07500	2.0
103.05000	1.5
103.08704	100.0
103.12372	1.9
104.07098	8.2
104.09033	1.9
105.03330	1.4
107.08559	1.7
111.04447	2.9
114.07322	1.3
123.04430	4.4
127.03902	4.3
129.05508	2.0
133.02846	7.4
147.06509	3.6
151.03879	3.8
153.12755	8.6
158.93459	2.7
161.02371	4.8
163.03952	7.6
167.05611	1.4
176.94542	14.2
177.00844	1.3
179.03426	18.5
185.02994	11.1
194.95621	10.6
197.04376	2.7
201.00569	1.4
203.03905	6.4
251.10426	5.5
263.04004	2.8
266.99728	1.8
268.97849	7.7
269.11499	2.8
285.00961	8.5
293.04471	1.7
299.06183	2.3
303.02042	5.1
311.05838	18.5
312.06100	2.8
325.07227	1.7
329.06537	21.1
339.30908	1.5
347.07617	5.8
352.08231	1.8
355.07092	10.5
371.08063	2.0
371.16412	4.8
371.26569	5.1
372.59964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1677
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
53.63268	0.3
55.05505	0.8
56.96550	0.3
57.07053	0.4
69.70262	1.3
69.70671	0.6
70.06590	0.8
72.08151	0.6
79.05506	0.3
81.07050	0.5
82.06582	0.7
83.04958	0.5
83.08609	0.5
84.08142	0.4
85.02891	0.6
86.09697	0.9
91.05421	0.4
93.07029	0.5
98.97562	0.5
100.07624	2.0
100.11266	2.5
105.07056	0.3
107.08627	0.4
111.04453	1.7
112.07599	0.5
116.07097	0.6
119.04966	0.8
121.10083	0.3
128.07097	1.9
135.04402	0.6
140.07054	0.9
145.02908	0.5
147.04391	2.7
149.09602	0.4
158.99706	0.3
163.03893	2.2
177.00700	0.4
177.05487	0.4
182.15414	3.7
183.04930	0.4
201.05997	0.5
203.05338	0.6
203.07713	0.3
209.11629	0.7
209.16623	0.5
209.99928	0.3
210.14885	4.6
227.17563	1.5
244.20209	1.5
261.10260	0.4
284.11334	0.3
285.09631	0.5
299.11053	2.8
322.51407	0.3
336.22903	0.4
337.21329	2.2
354.23849	3.7
371.16760	100.0
372.17087	3.6
380.82712	0.3
387.13214	0.4
391.41840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1677
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
53.03943	0.3
55.01859	0.2
55.05501	0.7
56.96562	0.4
57.03438	0.2
57.07067	0.2
62.07671	0.2
67.05499	0.6
69.03423	0.7
69.07056	0.4
70.06589	1.3
71.04982	0.5
71.58974	0.3
72.08141	0.8
79.05482	0.6
81.03410	0.5
81.07063	1.2
83.04964	0.6
83.08623	0.6
84.04482	0.3
84.08134	0.5
85.02904	1.1
85.06533	0.2
85.73421	0.2
86.09704	0.7
89.61812	0.2
91.05394	1.0
93.07024	0.8
95.04961	0.6
95.08609	0.6
97.02869	0.6
97.06526	0.2
98.01257	0.2
98.97576	0.6
99.04441	0.3
100.07606	0.5
100.11246	0.4
101.05996	0.2
103.05433	0.2
105.03355	0.2
105.07047	1.2
107.04916	0.4
107.08602	0.7
109.02857	0.4
109.06504	0.8
109.10139	0.7
111.04438	0.7
115.05434	0.2
116.07112	0.3
116.98619	0.6
119.04920	0.5
119.08613	0.4
121.02854	0.5
121.10144	0.8
123.04414	0.3
123.11723	0.3
125.07091	0.3
127.03887	0.9
128.07043	0.3
128.98544	0.3
129.05472	0.4
129.06990	0.4
129.10191	0.2
130.08624	0.6
131.08540	0.4
133.06487	0.4
133.10112	0.7
134.99637	0.5
135.08069	0.3
135.11720	0.5
137.05962	0.5
137.09579	0.2
144.06610	0.2
145.02844	0.2
145.10083	0.3
147.04346	1.4
147.06488	0.4
147.08011	0.2
147.11665	0.3
149.09641	0.6
149.13297	0.3
151.03888	0.5
151.07578	0.2
151.11142	0.3
161.06012	0.4
163.03915	0.7
167.07019	2.2
167.14313	0.3
168.07416	0.2
171.22682	0.2
175.07590	0.2
177.00786	0.2
177.05521	0.9
177.64647	0.2
182.15376	0.8
187.07568	0.5
189.09129	0.3
191.07063	0.3
191.10446	1.1
191.14320	0.3
193.08585	0.7
193.12170	0.3
203.05293	2.1
203.07091	0.3
205.08739	0.2
209.07867	0.3
209.11496	2.8
209.15340	0.4
210.14915	0.9
217.08626	0.3
219.01659	0.2
227.09155	0.2
227.17551	0.2
228.89238	0.2
237.02740	0.3
246.07166	0.2
273.09552	0.3
284.17398	0.2
327.71085	0.2
337.21234	0.5
341.14139	0.3
353.15735	1.3
353.20340	0.3
354.19318	0.3
354.23715	0.3
355.06760	0.3
355.22241	0.4
371.16763	100.0
372.17065	4.9
372.24716	0.4
379.55670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1678
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
55.01862	0.4
55.05503	0.7
56.96566	0.5
67.05502	0.6
69.03420	0.8
69.32259	0.2
70.06586	0.6
70.90676	0.4
70.91004	0.6
71.04984	0.2
72.08152	0.4
75.91331	0.3
79.05506	0.5
81.03416	0.4
81.07043	0.9
83.05028	0.7
83.08617	0.4
84.08136	0.6
85.02885	1.2
85.06522	0.3
86.09696	0.5
91.05421	1.4
92.05822	0.4
93.07037	1.0
95.04978	0.9
95.08580	0.5
97.02875	0.8
98.97600	0.8
104.56844	0.3
105.07044	1.2
107.04966	0.3
107.08601	0.7
109.02883	0.4
109.06525	0.6
109.10146	0.4
111.05552	0.3
115.05450	0.3
116.98621	0.5
119.08524	0.4
121.02841	0.3
121.06497	0.4
121.10136	0.3
125.07099	0.6
127.03891	0.4
129.05516	0.4
129.06996	0.5
131.04906	0.3
131.08551	1.2
133.06514	0.5
133.10141	0.8
135.08070	0.3
135.11652	0.3
137.05960	1.0
145.04918	0.3
145.10101	0.4
147.04471	0.6
147.06503	0.3
147.08073	0.5
149.09651	0.6
157.10147	0.4
161.05966	0.6
163.03867	0.3
167.07050	2.0
175.07573	1.4
177.00755	0.4
177.05495	0.7
181.04971	0.3
187.07547	1.1
191.07095	0.4
191.14317	0.5
193.08612	1.2
203.05278	0.7
209.08144	0.3
209.11475	1.4
209.15376	0.6
217.08620	0.6
233.09802	0.3
237.02867	0.3
339.73575	0.3
353.14096	0.9
353.20856	0.8
355.07019	0.4
371.16779	100.0
372.17108	4.9
389.15018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1677
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
57.19423	0.3
69.99688	1.4
70.06583	0.9
71.04977	0.5
81.07047	0.6
85.02911	0.4
86.09695	0.4
91.05799	0.7
93.07016	0.4
98.21511	0.4
106.06561	1.0
119.01906	0.4
145.02815	0.4
161.02911	0.4
163.03900	1.0
167.10684	0.4
177.05463	0.5
209.11653	0.6
243.09079	0.3
265.19601	0.3
285.09491	0.9
320.89590	0.3
331.19846	0.3
371.16757	100.0
372.17065	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	371.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
55.05498	1.8
56.96568	11.3
57.03435	4.8
61.02915	2.9
65.03928	2.6
67.05492	3.0
69.03440	16.9
69.38837	1.5
70.06590	4.4
70.46722	5.4
71.05005	1.7
72.08148	1.7
73.02929	1.8
73.04758	4.6
80.75034	1.4
81.03400	3.2
83.04973	5.5
84.04510	1.9
84.08131	4.0
85.02905	27.0
87.04455	6.3
91.05849	36.6
94.06564	4.9
95.04956	5.0
97.02895	12.4
98.97594	9.6
98.98459	2.1
99.04433	2.8
101.06010	2.8
106.06570	2.5
107.04988	2.4
109.02881	2.4
109.06823	1.7
111.04445	4.6
114.07359	1.7
115.03936	8.3
116.98641	8.0
119.01881	1.5
119.04935	19.0
120.05315	2.3
121.02847	3.4
121.06453	1.8
122.06005	6.0
127.03941	12.9
128.98605	5.4
129.05508	2.0
131.01930	3.1
133.04962	10.3
134.99635	5.1
136.06200	2.2
137.05937	2.2
139.03911	2.8
145.03453	3.2
145.04958	10.5
145.05949	1.6
146.99670	6.6
147.03247	3.0
147.04417	55.1
147.06441	3.7
148.04755	5.0
150.05510	100.0
153.10281	2.9
161.01198	2.2
163.05983	3.9
168.06557	3.5
169.03461	3.5
170.99670	1.9
171.05092	2.6
173.03029	1.9
177.00696	3.4
177.04065	2.1
179.02104	2.2
185.02937	6.5
187.04491	4.8
190.98680	2.0
198.53081	1.6
201.00647	3.0
203.03902	3.4
209.09219	38.4
212.08273	8.8
213.09015	4.4
214.56332	1.6
217.00067	1.7
219.01787	6.9
223.01158	2.1
237.02824	16.6
244.05084	2.5
244.55219	1.8
248.95837	2.3
253.05602	2.7
268.97870	6.8
285.00879	12.4
286.01151	2.2
303.02014	5.4
305.49536	1.8
311.06097	5.3
329.05496	4.1
347.06363	2.3
355.06931	11.5
356.07053	1.8
371.06653	8.2
371.14645	3.1
373.08032	4.3
379.08759	2.8
389.08667	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	2.0
67.05517	2.0
69.07042	1.8
69.74203	5.8
69.74630	4.4
71.08645	2.1
79.05482	2.9
81.07060	5.4
83.04992	2.9
89.55901	1.4
91.05433	1.9
93.07043	4.4
95.04971	5.3
95.08582	3.1
97.06538	1.9
105.07017	4.1
107.04916	1.7
107.08569	2.5
108.89993	1.6
109.10139	2.7
111.04433	1.8
119.08576	3.8
121.10110	2.9
128.06206	2.6
129.05460	2.6
129.07021	10.3
133.10101	1.7
135.07968	2.5
137.05986	3.2
137.09532	2.2
142.07666	1.9
145.06493	3.0
147.06519	3.3
147.11676	2.0
149.05922	2.3
151.07500	3.3
152.68773	1.5
157.06508	3.2
160.05156	2.5
160.89832	1.6
161.05956	5.5
165.06995	5.5
167.07048	6.4
175.07552	5.3
177.07005	2.0
178.07790	2.3
179.08549	4.8
182.07268	2.1
185.05956	2.3
188.08272	1.9
190.07697	2.3
191.08553	2.9
193.06522	2.0
194.07228	2.0
197.09619	2.1
201.09109	1.8
205.06454	3.0
207.08073	5.8
208.08752	4.8
209.09589	9.2
209.15326	1.8
210.06728	2.7
211.07494	1.8
217.08612	3.2
218.07220	4.1
219.08011	8.3
221.05952	5.8
221.09601	3.8
222.06810	2.3
225.09172	8.1
233.09457	3.1
235.07574	7.7
236.08278	8.2
237.09103	11.2
247.07599	7.1
248.08289	7.1
249.09087	7.1
251.10698	6.7
252.11440	2.8
253.08403	8.0
264.07819	8.0
265.08643	13.8
267.10175	3.6
268.10968	3.7
278.09497	1.6
279.10202	25.6
280.10861	15.0
281.08029	6.6
281.11578	1.9
286.05435	1.6
295.09781	3.1
296.10422	6.4
307.09555	3.2
311.12784	100.0
312.12930	6.4
339.12106	3.5
340.13107	1.9
353.13660	2.0
371.14859	12.1
371.25809	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	dihydrocurcumin
Peak:m/z	Relative Intensity
53.03933	9.1
55.01868	23.4
55.05503	12.9
57.03433	4.5
63.82706	3.6
65.03933	4.8
67.05490	6.4
69.03438	24.4
70.96979	10.5
70.97327	5.0
71.04993	7.9
76.15927	3.8
79.05476	10.1
81.03405	10.6
81.07045	11.1
83.04987	59.6
83.14226	3.7
85.02890	15.7
91.05474	27.3
93.03379	4.0
93.07051	13.9
95.04964	18.5
95.08549	7.3
97.02908	27.5
97.06482	6.2
99.04478	4.8
103.05455	15.8
105.07038	11.8
107.04960	19.9
107.08607	5.9
109.06491	6.4
109.10179	6.1
111.04443	63.8
113.06047	6.9
115.05473	10.4
117.06985	5.0
119.04929	11.5
119.08601	9.2
121.06481	9.1
121.10152	5.4
123.04456	10.4
124.05191	4.9
125.05993	5.8
127.03958	7.1
127.05402	4.5
129.05530	6.1
129.06972	9.0
130.04149	4.5
131.04916	16.2
132.05690	5.0
133.06476	12.6
133.10127	9.7
135.04393	8.7
135.11687	6.5
136.05235	30.8
137.05986	40.4
139.03882	7.1
139.07549	12.4
143.04929	7.4
144.05679	5.9
145.06555	8.0
147.04457	24.3
147.08009	5.3
148.05165	5.5
149.05984	5.8
151.03870	5.6
151.06415	8.4
151.07541	100.0
151.08659	8.2
153.05455	6.8
154.43884	4.3
155.04918	12.9
157.04877	5.4
159.04488	4.0
160.05128	22.3
161.05963	32.9
163.07574	15.3
163.11217	4.8
164.82225	3.8
165.05481	9.0
166.05959	4.1
167.07047	32.8
171.04520	4.8
172.05148	6.4
175.07547	52.0
176.08275	12.0
177.05502	17.3
179.07043	45.0
183.04454	7.5
187.07538	14.7
191.07010	28.8
193.06439	4.2
193.08585	7.3
195.08070	4.8
200.04816	4.4
203.06932	7.2
203.08554	9.7
205.08421	5.0
207.08228	5.8
215.06992	38.2
217.08600	19.8
218.07401	8.1
219.08070	16.7
221.09645	4.7
231.08037	11.5
232.08824	5.2
233.09579	14.4
234.06808	5.2
234.10069	4.4
235.07564	11.2
236.08453	7.5
237.09076	5.6
241.08453	9.7
243.08365	4.8
246.06694	6.8
247.07542	17.2
248.08388	7.5
249.09154	18.3
250.09880	9.3
251.07043	7.0
251.10567	8.2
259.07556	13.2
260.08313	9.5
261.09158	30.9
262.06396	5.0
262.09772	9.2
263.07083	11.7
263.10660	9.4
264.07880	7.1
265.08618	6.7
273.09180	9.9
274.06403	6.3
275.10657	12.3
276.07877	9.2
277.08505	26.0
278.09244	15.3
279.10251	25.4
280.10632	4.7
281.11548	7.9
288.07788	5.1
289.08554	27.9
290.09421	9.8
291.10126	26.1
292.10886	17.4
293.08694	6.5
293.11740	24.3
294.08911	6.4
294.12338	6.2
295.09494	8.3
301.10727	7.0
303.10147	21.3
304.10931	39.8
305.08215	11.3
305.11670	14.9
306.08743	5.9
307.09521	12.2
308.10382	8.4
309.11041	19.5
311.12720	9.7
320.10516	12.6
321.11139	29.1
322.11920	31.0
323.09433	6.4
323.12790	30.6
325.14331	5.5
335.12781	94.3
336.13196	7.6
338.11411	8.2
339.12466	13.5
341.13892	46.1
353.13849	82.4
371.14828	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	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01862	1.3
55.05492	0.6
67.05466	0.8
69.03423	1.3
69.07052	0.6
71.08625	0.7
71.49886	0.6
71.59431	0.8
78.04692	2.1
79.05490	9.1
81.03407	0.8
81.07050	1.8
83.04981	0.6
85.02887	1.1
86.09679	0.6
91.05460	4.9
93.07030	0.8
95.04971	2.7
103.05457	2.5
104.06219	0.8
105.07024	10.5
106.04160	1.5
107.04275	1.1
107.04948	13.5
107.08596	0.9
109.02882	0.9
109.06529	0.6
111.04465	0.6
115.05429	3.9
116.06269	1.3
117.06985	1.4
118.04157	1.2
119.04932	0.7
119.08578	2.2
121.06482	1.8
122.03616	0.6
123.04436	6.6
124.05207	4.0
124.54778	0.5
125.05980	1.7
127.03931	1.1
128.06212	3.3
129.06990	8.2
130.04132	0.6
131.04922	4.1
131.08522	1.5
132.05736	3.0
133.06500	6.8
135.04390	0.6
135.11723	0.6
137.05983	6.0
140.04712	0.9
144.05682	2.0
145.06444	2.2
147.04443	0.8
147.08052	3.7
149.05914	1.2
151.03903	2.2
152.04591	3.1
153.05431	2.2
155.04886	1.1
155.07056	1.4
156.05756	1.4
157.06454	0.9
159.08063	7.1
160.05167	2.1
161.05972	12.8
161.09668	0.8
165.06973	0.8
167.07034	100.0
168.07359	2.1
171.08012	1.5
172.05144	3.0
175.07541	24.0
176.04715	0.7
176.07912	0.7
177.05524	2.9
178.07817	2.1
179.07021	1.4
179.08496	1.4
181.08682	0.7
184.05214	1.3
185.05917	1.3
187.07535	28.3
189.07001	2.2
189.09105	1.8
190.07727	1.6
191.07016	7.4
191.08536	1.1
192.07741	1.5
193.08606	3.1
193.10172	1.0
199.07536	8.8
201.09013	0.7
202.07724	3.1
203.08601	4.2
204.09386	0.9
205.06477	1.6
206.07327	3.4
207.08032	1.8
209.08043	1.6
215.08594	1.5
217.06435	1.9
217.08592	2.1
218.07236	3.4
219.08037	3.2
220.08731	0.9
221.09492	3.5
223.07539	0.8
231.08046	3.2
232.08823	1.6
233.06013	0.7
233.09563	3.7
234.06805	3.6
235.07498	3.3
236.08241	0.7
243.08131	0.8
246.06888	1.4
247.07478	1.4
248.08377	2.0
249.09065	7.2
250.09904	1.7
250.75990	0.6
251.06981	2.5
259.07480	1.1
260.08325	1.6
261.09167	5.2
262.06198	0.9
263.07043	2.4
265.08508	1.0
266.09192	1.3
267.10132	1.0
274.06180	0.7
275.07022	2.0
277.08578	4.3
278.09335	1.8
279.06534	1.4
279.09964	1.1
281.11697	10.0
289.08527	4.8
290.09415	1.8
291.06760	0.7
291.10202	2.5
293.08182	1.1
293.11673	2.4
294.08749	1.7
295.09515	1.1
300.09729	0.8
306.09030	1.0
307.09592	2.0
309.11188	12.4
310.11743	1.2
311.12631	1.4
321.11218	9.3
322.11966	2.2
323.09109	0.9
325.14386	1.3
326.11407	2.8
341.13797	15.5
342.14063	0.8
353.13748	6.0
371.14920	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05499	6.5
56.96548	3.4
57.07061	2.5
62.53042	1.6
67.05500	10.5
68.58457	1.5
69.03384	1.5
69.07069	17.1
70.06590	2.2
70.57682	6.3
71.04991	1.9
79.05479	9.6
81.07057	72.7
81.89861	1.6
81.91073	1.6
82.07381	1.5
83.04972	3.5
83.08600	2.6
93.07027	5.3
95.04986	2.4
95.08051	2.6
95.08604	32.4
95.28042	1.6
96.08996	1.6
98.97591	1.9
100.11243	8.7
105.07008	5.1
107.08587	3.7
109.10151	3.8
111.04424	2.2
116.98598	3.2
119.08537	2.2
121.10074	1.8
121.33574	1.5
127.03926	2.3
129.05464	1.7
133.06422	2.1
133.21939	1.8
134.99617	2.1
135.11642	2.9
136.93086	3.6
137.05978	4.5
137.13254	15.2
141.11472	2.3
143.11761	2.4
146.99681	2.1
147.06450	1.7
149.05969	2.0
151.03871	2.0
151.07593	1.7
154.94179	8.0
161.06085	3.4
163.07521	1.8
167.07062	11.3
167.10635	2.7
172.95235	25.9
175.07576	2.8
177.05487	1.9
182.15384	3.0
187.07535	2.6
188.92445	3.9
190.96306	17.3
191.07056	2.5
210.14896	5.1
221.15369	3.7
225.16029	2.3
237.02753	3.8
245.10428	2.3
247.34206	1.9
252.91855	15.9
253.15395	2.0
270.92874	23.5
275.93326	2.2
276.72852	2.8
289.02792	8.1
289.71701	3.2
291.06601	4.9
293.94626	2.3
307.03879	3.5
309.07700	3.7
339.12186	3.5
348.06616	1.9
353.24814	3.5
362.25449	2.4
371.03357	5.7
371.14627	100.0
372.14838	4.4
389.04343	4.8
389.14890	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	371.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12431	0.6
55.05523	1.0
56.96549	2.7
67.05505	1.0
69.03416	3.2
69.07038	0.8
70.06586	2.4
70.83775	1.6
71.04996	1.1
74.58800	0.7
79.05500	2.0
81.03423	1.3
81.07062	1.4
83.05005	1.7
84.08147	1.1
85.02891	2.5
86.09698	2.0
91.05437	2.2
93.07040	1.7
95.04967	1.7
95.08593	1.1
97.02928	1.2
98.97581	15.1
101.06030	0.8
103.05449	1.2
105.07024	4.7
107.04941	1.8
107.08620	1.6
108.29803	0.7
109.02850	0.7
115.05508	0.9
116.98617	14.4
121.06493	1.5
121.10213	1.0
129.05472	1.3
131.04822	0.8
131.08521	0.7
133.06497	2.4
133.10115	1.5
134.99641	8.5
135.11702	1.0
137.05975	1.3
146.99660	0.8
147.06511	1.4
149.05965	1.6
149.09576	1.0
151.04007	0.9
153.00667	1.0
158.99684	3.1
161.05968	2.8
163.03865	0.9
163.11198	1.0
167.07050	5.9
167.10727	1.3
175.07562	0.9
177.00729	7.0
177.05464	1.1
181.08656	0.9
187.07454	1.0
191.07198	0.8
193.08595	12.7
203.05299	2.3
209.08098	2.0
209.11569	1.4
217.08733	1.4
237.02934	0.9
251.09506	5.8
269.10571	8.6
279.10168	0.9
301.64398	0.8
353.09955	1.3
353.16162	1.1
353.20511	1.2
371.16965	100.0
372.16898	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.4
55.05505	0.7
56.29218	0.4
56.96564	4.3
57.03422	1.2
59.04996	0.4
60.04504	0.6
61.02943	1.0
67.05502	1.5
69.03439	3.7
69.14069	0.4
70.06584	1.4
71.01343	0.4
71.58034	0.7
73.02910	0.6
73.04776	2.0
81.03443	1.0
82.06570	0.5
83.04964	0.8
84.08139	1.4
84.96037	1.3
85.02903	6.7
86.09703	0.7
87.04462	1.3
91.03963	0.4
91.05820	9.6
94.06575	4.3
97.02908	4.1
98.97584	5.3
98.98257	0.6
98.98457	0.7
99.04459	0.7
99.29605	0.4
101.05999	0.6
105.19244	0.3
106.06557	1.5
107.04936	0.4
109.02864	1.0
110.97558	1.0
111.04432	0.9
114.07393	0.5
115.03938	0.9
116.98629	5.5
118.08635	0.6
119.01961	0.5
119.04945	1.5
121.02853	0.4
121.06422	0.5
122.06025	3.8
123.04478	0.5
127.03931	6.5
128.04247	0.6
128.98621	2.6
129.05486	0.8
129.10150	0.7
131.00186	0.9
133.04944	0.9
134.99658	3.1
136.06177	0.7
137.05974	0.7
143.00160	0.6
145.04959	2.3
146.99661	3.9
147.04387	4.5
147.06477	1.0
149.01266	0.8
150.05507	100.0
151.05911	1.3
153.00691	0.7
158.99635	1.1
161.01224	1.1
162.99133	0.4
163.06140	0.5
163.08688	0.5
165.00716	0.8
167.02141	0.4
168.06511	3.0
169.03516	0.5
170.99667	1.7
173.07121	0.5
177.00742	1.3
185.02946	1.4
189.00760	1.2
193.00269	0.6
201.00685	1.7
209.09215	32.7
210.07544	0.5
210.09518	0.9
213.00642	0.5
219.01724	4.6
237.02815	11.1
238.03056	0.5
252.05716	0.8
252.55853	0.6
255.03928	1.8
260.04517	0.7
266.99841	1.0
268.97681	2.1
272.07980	0.7
285.00977	3.1
286.01056	0.5
299.06116	0.9
303.02112	1.1
311.06277	0.7
329.05334	2.7
347.06366	1.2
355.06973	4.0
371.02289	0.6
371.06531	7.2
371.14224	1.1
373.08221	0.6
389.07623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01859	4.6
55.05507	2.7
57.03432	2.6
59.04997	4.1
60.54274	1.5
61.02914	1.9
65.28010	1.8
67.05502	1.8
67.08402	1.7
69.03433	16.4
69.07057	1.8
71.47421	1.8
71.61031	1.6
71.61420	2.9
78.04722	1.6
79.05489	11.8
81.03395	6.6
81.07060	4.3
83.04996	3.0
85.02913	12.6
85.06535	7.2
91.05448	8.0
93.07025	7.0
95.04948	7.3
95.08603	3.7
97.02891	10.4
99.04464	2.1
103.05456	11.2
104.06245	5.2
105.07028	50.4
107.04964	14.6
107.08590	1.8
109.10107	1.6
111.04451	3.2
115.05473	10.5
117.03308	2.1
117.06998	2.0
118.04173	3.5
119.04922	2.2
119.08593	3.4
121.06524	10.7
121.10130	2.3
123.04444	4.0
123.10258	1.6
124.05205	3.6
125.06027	2.0
127.03914	7.0
129.05447	2.6
129.07027	2.8
131.04900	9.5
132.05719	5.2
133.06512	39.9
134.03665	2.1
137.05975	7.2
139.03844	3.3
143.06030	2.3
145.06425	2.0
147.04436	3.1
147.06546	2.3
147.08032	2.3
149.06004	15.5
151.03908	19.3
152.04720	1.8
155.07069	2.3
156.05666	3.4
159.04465	2.3
159.07977	3.6
160.05231	2.9
161.05975	30.5
163.03931	2.7
167.07057	82.7
173.06010	2.5
175.07530	5.4
177.05499	26.4
178.06145	2.3
179.07076	2.9
179.08601	1.8
181.04976	4.8
181.08571	5.3
187.07550	7.1
189.05493	2.5
189.08974	1.8
191.07043	5.5
193.08612	100.0
194.08910	2.0
201.05234	2.2
201.09042	1.8
203.52513	1.5
207.06435	4.5
207.86096	2.1
209.08073	15.9
215.07060	1.7
217.08563	7.3
233.09743	2.6
235.07420	2.7
237.02979	1.8
237.05438	1.8
239.07138	2.5
247.07448	2.1
247.09708	3.4
249.09213	3.4
261.08994	2.5
263.06979	3.5
264.07947	2.0
265.08612	2.1
277.08469	2.0
280.07245	2.7
281.11670	2.3
285.07562	4.3
289.08780	2.2
290.08862	1.5
300.09827	6.3
309.07651	2.8
309.11136	3.6
313.10757	2.3
321.11133	3.8
323.09210	1.8
339.12347	7.7
341.10089	4.9
341.13913	5.3
353.13666	5.6
371.15091	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	371.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97090	2.1
53.03932	3.3
55.05496	5.2
57.07070	2.7
61.84874	1.6
65.03932	2.2
67.05507	15.8
69.07069	25.9
71.60703	2.6
79.05480	13.2
79.67661	1.6
81.07058	94.0
82.07383	2.3
83.04962	1.7
85.02892	5.5
89.06011	4.6
91.05457	4.0
93.07028	7.7
95.04943	4.5
95.08613	43.7
97.02891	1.9
97.06500	2.3
103.56120	1.9
105.07013	8.1
107.04935	8.1
107.08554	2.2
109.06518	5.3
109.10160	4.1
115.05421	3.3
116.06252	2.4
116.07095	2.2
117.06972	3.1
119.08578	4.9
121.06483	2.5
121.10159	4.3
122.03640	3.6
123.04401	3.0
125.54243	2.1
129.07001	4.3
131.04887	5.6
131.08511	3.5
132.05682	2.3
133.06511	2.5
133.08559	2.1
133.10112	7.9
135.08090	2.2
135.11729	2.4
136.93092	2.8
137.05972	19.9
137.08255	4.1
137.13271	18.9
144.05698	2.3
145.10120	2.9
147.11598	2.4
149.06009	3.4
151.03864	3.5
154.94165	13.0
155.04987	2.0
156.05658	4.1
159.08064	6.5
161.05975	4.3
163.03865	2.7
163.11136	2.3
167.07048	29.2
172.95226	31.7
175.07507	7.1
177.05461	4.7
178.07770	2.3
179.07039	1.9
187.07565	10.7
188.92374	3.0
189.09052	2.8
190.96275	16.0
191.07034	3.1
191.10655	2.9
191.14330	7.2
192.07835	2.9
193.08479	3.1
209.15489	2.1
217.08609	20.2
218.07196	3.2
219.08205	2.9
221.09700	3.5
231.08043	2.4
233.09576	4.0
234.06732	3.9
234.90845	2.5
235.07484	3.4
239.06966	6.8
241.08517	3.6
247.07379	2.2
247.09619	6.7
249.09062	5.1
251.06972	2.1
252.07777	2.9
252.91867	20.1
257.08151	2.7
260.08157	2.6
261.09091	6.5
263.07071	3.0
265.08667	2.6
268.97629	2.3
269.08011	2.2
270.92926	28.9
271.05975	1.9
276.07831	1.9
277.08453	4.9
278.09482	2.5
279.06558	2.6
281.11716	5.8
285.07614	14.9
285.12830	2.5
287.08984	5.3
289.02756	4.0
289.08609	2.6
291.06586	8.8
291.09872	3.6
293.08365	2.6
293.11719	5.9
293.94434	2.1
300.09955	18.5
301.10641	6.4
307.03754	2.4
307.09470	3.2
309.07834	3.6
309.11203	9.2
310.14572	1.8
311.09225	3.6
321.11163	8.0
323.09280	2.5
325.10803	2.6
326.11465	6.3
327.14307	15.2
339.12305	2.4
341.13809	12.5
353.13892	17.4
371.03442	9.9
371.13107	100.0
389.04382	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	371.1338
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
53.03955	2.5
55.01875	5.0
55.05510	2.3
56.96578	1.3
57.03429	2.5
59.36317	1.0
61.02923	2.5
65.03951	1.1
67.05497	1.7
69.03439	11.2
69.07060	3.4
72.08148	1.2
78.04716	1.5
79.05495	7.3
81.03422	5.7
81.07038	2.3
83.04979	2.5
84.08120	1.2
84.53245	0.9
85.02909	15.9
85.15656	0.9
85.72062	1.0
86.09702	1.6
87.04484	1.2
91.05454	7.2
93.07048	3.5
94.04176	1.2
95.04980	4.0
97.02896	10.7
98.21507	2.6
98.97583	1.9
99.04446	2.8
103.05473	9.8
104.06271	3.0
105.07041	45.0
107.04971	6.1
107.08605	2.8
109.02892	2.3
109.06510	2.6
109.10209	1.0
115.03916	1.1
115.05450	8.9
116.98636	1.4
118.04185	3.0
119.04964	1.7
121.06495	9.9
121.10146	1.7
123.04437	2.5
123.08065	1.2
124.05217	1.4
125.05985	1.1
127.03909	7.7
131.04942	4.6
131.08592	1.3
132.05713	3.4
133.06497	41.3
133.10161	1.3
135.04398	2.5
135.08078	1.1
137.05997	3.8
139.03893	1.8
142.12289	1.1
143.06055	2.8
144.42426	1.1
145.10120	1.3
147.04472	1.2
149.05994	14.7
149.09651	5.3
151.03899	8.2
151.07573	1.4
160.05226	2.8
161.04636	1.3
161.05991	27.3
163.03880	2.2
163.07559	1.4
165.05447	1.7
167.07057	42.3
177.00732	1.3
177.05489	11.5
178.06343	2.0
179.07060	2.2
181.05006	1.7
181.08604	7.7
187.07581	3.0
191.07068	4.5
191.14325	3.8
193.08620	100.0
205.08597	1.2
207.06528	3.7
209.08118	15.5
209.15448	5.4
217.08681	1.2
237.02773	1.9
240.09494	10.6
249.09157	1.6
285.08023	1.0
321.11285	1.2
327.14050	3.7
339.12283	3.2
353.13928	1.3
371.13000	28.2
391.48740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97090	2.1
53.03932	3.3
55.05496	5.2
57.07070	2.7
61.84874	1.6
65.03932	2.2
67.05507	15.8
69.07069	25.9
71.60703	2.6
79.05480	13.2
79.67661	1.6
81.07058	94.0
82.07383	2.3
83.04962	1.7
85.02892	5.5
89.06011	4.6
91.05457	4.0
93.07028	7.7
95.04943	4.5
95.08613	43.7
97.02891	1.9
97.06500	2.3
103.56120	1.9
105.07013	8.1
107.04935	8.1
107.08554	2.2
109.06518	5.3
109.10160	4.1
115.05421	3.3
116.06252	2.4
116.07095	2.2
117.06972	3.1
119.08578	4.9
121.06483	2.5
121.10159	4.3
122.03640	3.6
123.04401	3.0
125.54243	2.1
129.07001	4.3
131.04887	5.6
131.08511	3.5
132.05682	2.3
133.06511	2.5
133.08559	2.1
133.10112	7.9
135.08090	2.2
135.11729	2.4
136.93092	2.8
137.05972	19.9
137.08255	4.1
137.13271	18.9
144.05698	2.3
145.10120	2.9
147.11598	2.4
149.06009	3.4
151.03864	3.5
154.94165	13.0
155.04987	2.0
156.05658	4.1
159.08064	6.5
161.05975	4.3
163.03865	2.7
163.11136	2.3
167.07048	29.2
172.95226	31.7
175.07507	7.1
177.05461	4.7
178.07770	2.3
179.07039	1.9
187.07565	10.7
188.92374	3.0
189.09052	2.8
190.96275	16.0
191.07034	3.1
191.10655	2.9
191.14330	7.2
192.07835	2.9
193.08479	3.1
209.15489	2.1
217.08609	20.2
218.07196	3.2
219.08205	2.9
221.09700	3.5
231.08043	2.4
233.09576	4.0
234.06732	3.9
234.90845	2.5
235.07484	3.4
239.06966	6.8
241.08517	3.6
247.07379	2.2
247.09619	6.7
249.09062	5.1
251.06972	2.1
252.07777	2.9
252.91867	20.1
257.08151	2.7
260.08157	2.6
261.09091	6.5
263.07071	3.0
265.08667	2.6
268.97629	2.3
269.08011	2.2
270.92926	28.9
271.05975	1.9
276.07831	1.9
277.08453	4.9
278.09482	2.5
279.06558	2.6
281.11716	5.8
285.07614	14.9
285.12830	2.5
287.08984	5.3
289.02756	4.0
289.08609	2.6
291.06586	8.8
291.09872	3.6
293.08365	2.6
293.11719	5.9
293.94434	2.1
300.09955	18.5
301.10641	6.4
307.03754	2.4
307.09470	3.2
309.07834	3.6
309.11203	9.2
310.14572	1.8
311.09225	3.6
321.11163	8.0
323.09280	2.5
325.10803	2.6
326.11465	6.3
327.14307	15.2
339.12305	2.4
341.13809	12.5
353.13892	17.4
371.03442	9.9
371.13107	100.0
389.04382	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	370.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.0
57.03460	1.6
57.76316	0.7
61.02909	1.4
69.03431	0.8
69.07085	6.2
69.53107	5.4
69.53506	1.1
71.55277	0.6
80.68786	0.7
84.76667	0.7
85.02919	1.4
86.09709	100.0
87.10074	0.9
90.40661	0.7
97.02929	1.8
97.60170	0.7
98.21523	0.9
98.97582	1.8
105.77081	0.6
123.93565	0.7
127.03938	0.9
132.10211	76.8
133.10561	1.0
150.05482	3.1
150.06615	0.8
191.03833	0.9
215.40063	0.7
219.01898	1.1
220.73428	0.7
235.02837	1.3
237.02829	0.8
251.04395	0.8
272.06586	1.8
281.07010	1.0
289.56467	0.7
310.66168	0.8
370.09171	1.0
371.14508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80811	2.0
51.03421	1.6
55.01871	27.1
55.05499	3.1
55.40671	1.7
56.96572	2.8
65.03938	8.5
66.65916	1.7
67.05506	4.0
69.03439	2.2
69.61359	3.8
69.61761	10.3
71.05002	4.1
74.61371	1.6
79.05481	4.2
81.03435	4.0
81.07054	7.2
83.04984	3.1
85.02905	2.9
85.06540	4.4
90.20852	1.7
90.89890	1.8
91.05483	7.2
93.03409	4.9
93.07039	2.5
95.04980	4.1
95.08599	5.6
96.02130	3.7
97.02858	2.5
98.55189	1.8
103.05399	2.0
105.07057	8.7
106.40920	1.7
107.04945	6.0
107.08588	5.4
109.10168	3.4
111.04439	17.3
115.05471	6.6
117.07051	2.0
118.55271	2.1
119.08637	4.7
121.06533	2.9
121.10178	5.0
123.04459	2.8
124.05109	1.7
128.06229	2.7
129.06979	4.5
131.04941	6.3
131.08549	4.6
132.05737	2.0
133.06532	12.7
133.10146	2.3
135.11801	2.2
137.05975	12.6
139.03911	11.3
144.05721	5.5
145.06522	5.3
147.08052	2.0
147.11691	2.0
149.09615	3.5
151.03903	3.6
153.05455	2.8
154.77917	1.9
156.05740	2.8
159.04309	1.8
159.08076	4.2
160.05190	2.5
161.05984	16.8
162.09778	1.9
163.83734	1.7
165.06989	9.3
167.03462	5.4
167.07077	13.3
167.08351	3.4
168.05673	2.7
169.06490	2.1
171.04347	2.6
173.06013	7.6
174.06784	6.5
175.07582	6.8
177.05478	3.9
178.07796	4.9
179.08508	3.2
181.04918	2.4
181.06493	6.7
182.07321	4.9
184.05324	2.2
185.05911	2.3
187.07556	9.9
188.15157	1.9
189.05502	23.4
191.06967	3.0
191.10686	2.0
192.05734	2.5
192.07782	3.9
193.06482	4.0
194.07246	5.9
195.08109	2.9
197.05939	2.0
197.09613	3.1
199.07710	3.3
201.05449	13.8
202.06265	5.8
203.06960	3.7
205.06520	6.1
206.07280	3.6
207.08109	5.5
208.08794	2.3
209.06058	4.1
210.06732	10.7
211.07553	4.7
215.07069	9.5
217.08630	6.7
218.07249	2.6
219.08080	2.7
220.05241	4.9
221.05984	14.1
221.09331	2.4
222.06769	6.0
223.07538	6.1
224.08295	4.3
225.05412	2.7
225.09152	5.2
226.06256	2.6
226.31638	2.0
227.06914	9.2
233.06065	4.1
233.08002	2.6
234.06760	6.8
235.07573	11.1
236.08237	2.0
237.05450	8.6
237.09142	5.1
238.06187	5.6
239.07011	6.3
241.08664	3.6
241.96907	2.1
243.06537	3.8
247.09711	2.3
248.04778	3.0
249.05502	12.9
249.09143	5.8
250.06320	5.9
251.07037	8.2
252.07895	8.5
253.08580	24.2
255.06483	11.2
256.07190	2.7
261.09222	2.9
262.06351	3.2
263.07040	21.5
264.07690	4.9
265.04926	8.9
265.08652	6.3
266.05704	3.9
266.09164	2.2
267.06491	10.1
267.10257	4.3
268.07364	2.4
269.08209	2.8
271.05853	2.1
277.05270	4.6
277.08685	7.7
278.05740	5.4
279.06570	8.5
280.07263	14.4
281.08102	21.2
282.05539	2.2
282.08957	4.2
283.06067	7.8
285.07657	5.2
285.11136	4.0
287.09097	2.9
289.08624	3.9
291.06589	3.5
292.07297	5.2
293.08130	21.9
293.11508	3.9
294.08777	2.2
295.06461	2.9
295.09540	13.6
297.07581	3.9
298.08380	4.6
300.09918	6.1
307.09467	4.6
308.06729	4.9
309.07617	20.4
309.11005	4.3
310.08328	9.4
311.08920	2.3
313.10556	12.3
321.07672	2.8
321.11115	3.6
322.08426	12.6
323.09125	46.0
324.09592	3.5
325.10837	8.7
335.09149	2.4
339.12088	3.2
340.09396	3.3
341.10187	100.0
342.10464	2.4
353.10312	8.9
353.13943	7.8
371.10858	4.3
371.14993	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.01868	8.6
55.05271	3.1
55.05512	42.0
55.13154	1.9
56.96558	5.2
57.03437	13.0
57.07074	5.0
59.04982	3.2
62.82162	2.1
65.03940	4.8
67.05505	100.0
69.03425	8.8
69.07067	29.1
70.09241	4.5
70.09657	7.5
71.04983	8.5
71.08631	10.6
73.02912	2.4
79.05490	50.2
80.05816	2.7
81.03414	23.3
81.07059	67.7
83.04974	12.7
83.08617	22.0
84.96025	2.7
85.02905	2.8
85.06551	6.2
91.05475	32.4
93.07038	50.6
95.04973	20.3
95.08605	35.9
97.02892	5.2
97.06510	9.7
97.10174	32.5
99.08080	7.6
103.05482	3.1
105.07025	27.8
107.04948	4.0
107.08593	49.5
109.02847	3.1
109.06510	10.5
109.10159	42.8
111.08076	6.6
116.98695	2.4
117.07005	6.6
119.08580	27.3
121.06498	3.5
121.10133	18.3
123.08054	5.7
123.11690	8.2
125.09613	32.8
127.03899	5.4
129.07043	2.8
131.04933	8.9
131.08582	9.8
133.10130	24.6
135.04430	2.1
135.08023	10.7
135.11684	22.1
137.06030	2.9
137.09668	3.8
143.08557	6.8
145.02867	5.0
145.10118	9.8
147.04372	2.0
147.08090	4.3
147.11685	18.4
149.05914	2.3
149.13293	12.0
151.07599	3.2
151.11183	21.2
153.09091	4.0
157.10117	3.6
159.11682	7.4
161.09616	8.4
161.13254	10.7
163.03932	12.5
163.11172	7.3
163.14812	3.3
165.09122	3.4
165.12802	4.9
171.10161	3.6
171.11626	4.4
172.44475	2.0
173.11713	7.2
173.13205	4.9
175.11298	2.4
175.14830	8.2
177.05475	11.2
177.12666	4.2
179.10565	2.2
179.14359	2.9
181.12234	3.0
185.13268	5.9
189.09439	3.0
189.11209	40.8
189.12784	5.3
190.95308	2.5
193.15985	2.5
207.10214	5.7
207.13734	2.7
208.96507	2.2
225.11237	5.6
227.12770	40.0
231.21085	2.7
241.19580	8.3
245.13861	27.0
250.97548	3.1
251.53804	2.5
259.20563	14.7
277.21609	94.2
278.22101	4.4
337.10504	7.8
341.14542	2.0
348.14200	3.3
351.25327	70.8
353.11377	3.8
369.13290	4.8
369.25851	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.7
55.01867	17.1
55.05509	59.9
56.96561	3.3
57.03437	23.0
57.07069	5.4
65.03932	5.4
67.05501	100.0
69.03426	11.7
69.07066	69.3
70.00313	9.2
71.04980	8.2
71.08630	27.8
73.02933	2.9
79.05051	3.8
79.05487	47.7
81.03409	12.7
81.06579	4.4
81.07056	85.6
83.04987	18.4
83.08616	43.0
85.02890	9.8
85.06522	8.1
87.04476	2.6
89.03897	3.9
91.05478	48.6
93.06462	4.5
93.07040	58.0
95.04970	24.6
95.08036	4.1
95.08602	43.7
97.02888	11.9
97.06511	13.2
97.10177	19.9
99.04454	4.7
99.08083	21.0
103.05444	5.9
105.07023	37.2
107.04954	15.3
107.08596	35.0
109.02871	7.8
109.06503	17.5
109.10148	49.1
110.03671	2.9
111.04437	7.1
111.08069	15.0
111.11716	4.4
113.09667	4.2
115.03906	3.0
117.03419	5.4
117.07006	9.5
119.08575	44.1
121.06469	6.6
121.10141	23.6
123.04390	3.7
123.08074	13.5
123.11711	14.7
125.05953	3.3
125.09621	12.3
127.03951	10.6
127.07560	2.2
129.06995	6.4
131.04909	4.1
131.08490	10.6
132.05656	2.6
133.06476	4.2
133.10104	27.8
135.08063	5.2
135.11676	19.4
137.05966	17.4
137.09584	6.9
137.13188	3.1
139.11154	14.1
143.08527	4.9
145.02800	7.4
145.04883	3.5
145.06465	2.9
145.10089	6.8
147.08064	5.3
147.11659	24.0
149.05984	4.2
149.09612	6.9
149.13246	12.8
151.03886	3.4
151.07600	2.3
151.11185	21.9
153.05457	3.8
153.12714	3.4
155.10608	2.4
157.10114	5.3
159.11690	7.1
161.05963	3.9
161.09604	9.0
161.13260	13.1
161.98589	2.1
163.03905	6.0
163.07538	3.4
163.11166	8.0
163.14900	4.1
165.09094	6.0
165.12779	14.3
167.07004	14.7
167.14339	3.5
171.11664	6.8
173.11722	21.2
173.13176	4.7
175.11186	5.1
175.14746	3.4
177.05507	19.6
179.07111	4.6
179.10693	3.4
179.14281	7.3
181.04944	14.2
181.12186	3.9
184.05165	4.4
185.13237	3.2
187.07529	4.8
189.09102	9.3
189.11211	14.7
189.12738	3.1
193.15993	2.8
199.07533	7.3
205.06512	2.8
206.07127	2.3
207.06430	6.0
207.10104	5.4
207.13765	8.6
215.07019	5.1
219.06316	13.9
219.08290	3.0
221.15250	3.0
225.11220	8.5
227.12808	2.8
229.14285	9.4
234.06699	5.2
235.07516	4.3
236.08109	5.3
241.07521	2.4
241.19533	7.7
247.07539	5.2
249.09004	7.2
249.22130	5.7
251.07068	2.5
251.10764	3.9
259.08405	4.1
259.20566	12.2
261.09216	2.3
263.06958	3.4
264.07779	5.7
265.08606	4.0
266.09775	3.3
269.17407	4.2
276.07950	3.3
277.08490	10.4
277.21600	69.5
278.09222	2.4
279.06546	3.9
279.10089	2.3
291.10059	4.0
293.07928	3.2
294.08636	2.8
295.22693	21.6
305.07996	4.8
307.09583	6.5
309.11160	7.9
311.12802	5.1
323.08887	3.2
337.10703	27.5
338.11157	6.7
339.08649	3.1
339.12384	9.6
341.13916	2.8
351.12161	3.3
351.18555	4.1
351.25345	23.7
354.11014	3.3
369.13364	32.4
369.19513	9.2
369.26337	96.3
370.13696	5.1
370.26514	3.7
378.97955	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
54.04405	1.8
55.01862	10.0
55.05511	44.1
56.96553	7.9
57.03434	17.6
57.07071	6.1
59.31236	2.0
65.03949	3.7
67.05502	100.0
69.03413	4.2
69.06716	3.1
69.07066	33.9
70.20426	8.2
70.20838	4.4
71.05000	6.4
71.08630	30.9
74.30954	1.9
74.90134	2.1
77.03172	2.2
79.05054	4.3
79.05492	51.6
81.03407	10.4
81.07053	98.4
81.65369	2.2
83.04979	14.9
83.08619	28.5
85.02895	4.5
85.06535	6.0
85.10173	3.0
88.68176	2.4
91.05486	37.7
93.07043	77.5
94.07372	2.7
95.04960	19.5
95.08607	50.0
97.02893	2.2
97.06513	15.3
97.10178	13.2
99.08094	28.1
103.03971	2.5
105.07027	44.4
107.04953	5.5
107.08587	45.2
109.06516	9.9
109.10155	42.9
109.49740	2.3
111.08066	9.2
111.11732	2.5
113.09646	2.0
117.07021	11.2
119.08581	28.4
121.06479	3.4
121.10148	28.9
123.08043	6.4
123.11697	9.7
125.09686	11.3
129.07001	4.4
131.08586	15.2
133.10124	26.3
135.08034	3.8
135.11688	24.4
137.05952	3.0
137.13318	2.7
139.11209	4.9
143.08566	3.7
145.02838	2.8
145.10100	8.9
147.11678	27.1
149.09628	2.7
149.13278	24.7
151.11179	32.2
153.09190	2.5
157.10129	4.7
159.11665	11.6
161.01215	3.3
161.09573	4.0
161.13277	16.1
163.11166	12.0
163.14760	3.6
165.12750	6.3
171.11659	6.2
173.11736	15.1
173.13133	4.8
175.11183	4.0
175.14833	4.1
177.05531	7.7
177.12743	9.7
179.14360	7.1
185.01344	2.3
185.13319	5.6
189.11243	9.4
189.12756	3.1
190.95325	2.8
195.13832	18.1
199.14848	2.9
203.02226	2.8
203.17931	13.2
207.13887	2.9
208.96385	3.2
213.14725	3.3
225.11394	2.6
227.12776	9.6
229.14404	13.3
231.21146	4.3
237.00722	6.9
241.19534	6.9
245.13849	4.5
249.22218	3.6
250.97444	4.0
253.18008	5.2
255.01797	5.8
259.20581	14.4
269.17471	53.3
273.02814	3.8
277.21619	63.7
322.95828	2.7
337.10532	3.9
351.25327	41.9
352.25552	2.5
369.09802	2.8
369.20322	8.0
369.26309	50.0
370.26376	2.4
372.53851	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
54.19462	2.4
55.01875	10.6
55.05262	3.7
55.05511	46.2
56.96553	3.3
57.03438	16.4
57.07068	9.2
59.37883	2.5
62.35548	2.3
65.03929	2.5
67.05505	93.1
69.03413	6.3
69.07062	39.6
70.16324	12.8
71.04980	6.2
71.08629	67.1
72.96657	2.4
77.07706	2.6
79.05490	56.8
81.03410	19.1
81.07054	86.7
82.62692	2.4
83.04992	15.7
83.08615	25.7
85.06529	5.0
91.05470	38.7
93.07043	65.5
95.04974	25.2
95.08604	47.6
97.06529	9.3
97.10169	27.2
99.08092	54.8
105.07037	41.4
107.04964	3.4
107.08598	39.8
109.06527	8.8
109.10156	36.4
111.08086	7.7
113.09632	3.7
117.07014	11.5
119.08584	23.6
121.06599	2.8
121.10136	17.5
123.08099	6.6
123.11694	7.1
125.09634	24.5
129.07027	4.7
131.08533	7.5
133.10124	23.4
135.08101	3.7
135.11685	24.4
137.09651	3.5
143.08549	4.3
145.10129	10.7
147.11703	20.4
147.40526	3.0
149.13245	13.1
151.11180	80.2
157.10112	4.8
159.11688	7.1
159.87416	2.4
161.09587	5.3
161.13275	23.1
163.11159	22.5
163.14807	4.5
165.12773	11.3
171.10207	3.5
171.11676	6.0
173.11751	30.5
173.13179	5.9
175.11156	3.5
177.12730	3.8
179.14328	21.1
179.15730	3.6
185.13338	4.9
189.11215	32.4
189.12744	5.4
193.15843	4.0
195.13835	4.1
207.13885	5.0
217.19588	3.0
227.12759	31.9
232.96353	2.8
241.19484	11.9
245.13852	23.9
253.17928	16.7
259.20627	16.4
269.17526	5.6
277.21628	100.0
278.21762	2.9
295.22745	9.4
351.25287	95.6
352.25244	4.2
369.26407	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76841	2.5
53.03942	4.2
55.01864	3.9
55.05509	21.4
57.03424	7.3
57.07061	3.4
58.71913	2.7
67.05170	4.3
67.05500	55.9
69.07072	13.1
70.83686	5.8
71.04967	3.6
71.08629	39.4
79.05052	4.3
79.05488	41.2
80.23454	2.5
81.03416	6.9
81.07062	53.8
83.04976	33.5
83.08611	11.3
85.06543	4.1
91.05470	28.9
93.07043	64.1
95.04971	9.8
95.08603	43.5
97.06536	11.9
97.10157	7.5
99.08083	26.0
103.66746	2.4
105.07034	27.2
107.04943	8.9
107.08585	36.4
109.06475	3.4
109.10181	24.6
113.09676	3.0
117.07012	3.7
119.08569	24.1
121.10149	32.3
123.08096	3.4
123.11671	4.7
125.09684	5.0
129.07039	4.3
131.08563	9.7
133.10126	14.5
135.07991	2.8
135.11694	37.8
137.09637	3.3
141.09074	3.3
143.08563	4.8
145.10201	6.0
147.11688	8.6
149.09668	3.4
149.13246	13.4
151.11205	13.6
159.11699	6.9
161.13246	14.2
163.11205	8.7
165.12788	4.4
171.11772	3.7
173.11714	4.5
173.13153	4.1
175.14856	4.9
177.12729	4.6
179.14305	100.0
181.30890	3.3
185.13283	2.9
189.11215	3.7
193.05025	2.7
213.66069	2.6
216.41734	2.8
221.15297	3.3
222.85495	2.6
227.12791	7.1
241.19695	5.1
249.54082	3.1
259.20547	9.8
277.21619	73.0
278.22052	5.9
351.25275	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60809	1.3
51.57438	1.4
53.03928	4.0
55.01863	3.1
55.05509	54.3
57.03434	8.1
57.07061	1.7
59.45251	1.2
67.05504	28.3
69.03419	2.3
69.07066	12.9
69.45425	3.2
69.45838	8.9
71.04985	3.3
71.08623	8.6
79.05492	20.5
81.07054	31.4
83.04978	100.0
83.08612	7.1
85.06546	2.9
91.04964	1.8
91.05473	17.6
93.06469	2.0
93.07040	24.9
95.04987	7.0
95.08599	19.7
97.06519	4.1
97.10159	6.0
99.08108	8.3
100.54676	1.2
105.07024	23.6
107.04943	1.5
107.08590	21.9
109.06505	4.9
109.10152	18.0
111.04435	1.7
111.08052	1.9
117.07007	5.5
119.08578	17.4
121.06515	1.5
121.10126	17.2
123.08079	2.3
123.11681	3.9
125.09618	3.6
129.06984	2.0
131.08556	7.8
133.10094	12.8
135.08041	2.1
135.11716	12.1
137.09637	2.3
143.08548	5.3
145.10123	9.5
147.07994	2.3
147.11697	8.6
149.09506	2.3
149.13229	5.5
151.11192	9.3
155.08592	3.3
155.57858	1.6
156.09253	1.9
157.10136	5.8
159.11691	11.2
161.13229	7.4
163.11244	3.9
165.12775	1.8
169.10121	2.9
171.11638	7.7
172.12566	1.6
173.11830	2.6
173.13263	10.8
175.14812	4.1
177.05530	2.7
177.12816	1.9
179.14320	12.9
183.11665	4.0
185.13257	5.6
187.14772	5.2
189.11241	3.2
189.12796	2.7
197.13292	2.3
199.14783	2.4
205.15889	2.9
209.13286	1.8
211.11049	1.6
211.14894	3.1
225.16396	4.3
232.96213	1.6
235.14804	2.3
241.19508	3.9
253.15865	7.0
259.20572	9.0
271.16882	20.1
277.21616	26.3
283.64609	1.8
351.25507	23.9
369.23895	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76795	1.6
52.20020	1.6
53.03935	12.8
55.01862	6.5
55.05505	14.7
56.59778	1.7
57.03426	4.9
57.07042	3.1
65.81987	1.6
67.05166	3.3
67.05499	40.5
68.49490	1.8
69.07061	30.5
71.08627	4.6
71.59463	3.3
73.26678	1.9
77.58231	1.6
79.05489	25.7
81.03413	48.4
81.07053	36.5
83.04968	10.3
83.08602	4.6
83.81757	2.0
85.10178	2.7
85.90082	1.9
91.05471	16.5
91.28970	1.6
93.07037	24.9
95.04967	26.4
95.08604	16.5
97.06517	3.9
97.10147	5.1
99.08057	2.5
105.07012	18.2
107.08581	19.0
109.06503	6.0
109.10133	14.0
111.08054	5.0
113.09632	1.8
116.56625	2.0
119.08572	10.7
121.10114	6.4
122.45393	1.9
123.08053	2.3
123.11723	4.6
125.09618	6.7
131.08488	4.7
133.10103	13.9
135.08008	2.7
135.11674	6.4
145.10120	3.5
147.11697	9.0
147.12671	1.8
149.13255	4.0
151.11185	30.0
153.09140	3.8
154.43047	2.0
161.13249	8.8
163.14767	3.7
165.12743	8.0
171.11659	2.0
173.13258	3.1
175.11212	3.2
175.14859	2.6
179.14296	6.2
189.12737	2.2
197.00533	2.0
207.13683	3.7
217.19511	2.4
223.54132	1.8
231.21005	6.8
241.19499	6.4
249.22159	2.9
259.20575	6.0
277.21609	100.0
278.22049	3.2
351.25266	69.9
352.25635	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	369.2427
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03962	5.1
54.96405	4.2
55.01868	5.6
55.05510	25.4
57.07078	12.0
59.04999	6.8
65.03996	3.5
67.05511	31.2
69.07069	22.9
69.32015	24.3
69.32439	18.3
71.05012	7.1
79.05486	30.1
81.07076	33.2
83.04983	13.4
83.08604	11.0
85.06517	4.2
87.04482	5.1
91.05477	40.4
93.07047	53.4
95.04957	25.1
95.08612	91.0
97.06535	11.2
99.04472	3.7
99.08081	4.4
100.80853	4.0
105.06382	6.7
105.07033	72.6
107.04980	4.3
107.08590	59.3
109.06525	14.7
109.10175	38.9
111.04366	3.5
111.08100	31.9
115.05434	4.5
117.07016	20.2
119.08593	100.0
121.06496	12.4
121.10152	56.6
123.08073	14.6
123.11684	19.8
128.06244	11.6
129.06985	16.1
129.27855	3.8
131.08583	46.6
133.10124	68.6
135.08058	25.2
135.11664	23.2
137.05981	90.9
137.09625	13.3
139.07556	5.8
141.07025	5.5
142.07774	15.0
143.08563	28.4
144.09322	11.5
145.10133	63.6
147.08022	24.9
147.11636	20.7
149.09628	22.8
149.13261	7.4
155.08537	13.3
156.09329	12.1
157.10143	50.7
158.10941	3.9
159.08118	18.6
159.11696	41.9
161.09651	14.3
161.13251	6.7
163.07588	8.8
163.11220	9.3
163.14822	6.6
166.07794	5.2
167.08563	5.1
168.09378	7.0
169.10144	17.2
170.10960	11.4
171.11707	38.5
173.09598	7.2
173.13287	30.1
175.07584	4.5
175.11154	7.7
175.14838	41.3
177.09117	8.4
179.08623	8.3
180.09373	5.0
181.10141	17.4
182.10916	8.3
183.11682	32.1
184.12451	4.3
185.09656	3.8
185.13243	22.8
187.11232	8.0
187.14815	36.7
189.12775	4.5
193.10109	11.3
194.10922	10.6
195.11702	19.4
196.12546	10.4
197.13196	19.2
198.14088	4.7
199.11104	6.4
199.14861	13.1
200.15558	4.7
201.09236	7.6
201.12740	10.8
201.16356	6.4
205.15874	11.5
207.11737	9.6
208.12477	4.4
209.13246	21.7
210.13901	7.2
211.11226	15.9
211.14864	18.5
213.12724	7.1
213.16423	7.8
215.10652	4.6
215.14128	6.0
217.16051	4.2
221.13152	6.9
223.14835	11.6
225.12756	5.7
225.16412	14.5
227.14351	5.0
229.12296	10.8
235.14784	7.3
237.16510	10.9
239.18040	7.2
243.13921	4.4
243.17377	4.9
251.14398	5.1
257.15408	15.5
265.19470	10.7
267.13812	4.2
269.15588	4.0
270.19894	4.4
271.16928	9.5
277.16193	4.4
277.19415	4.5
280.21799	4.8
295.17233	4.3
302.55814	3.9
333.22119	6.8
351.23157	22.6
369.24167	56.4
370.24564	5.9
385.78842	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	369.2425
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03937	1.8
55.01856	0.7
55.05511	43.8
57.03448	2.8
57.07070	1.5
67.05500	12.2
69.03422	0.6
69.07079	3.9
71.04987	1.2
71.08646	3.4
79.05487	7.2
81.07056	11.7
83.04980	100.0
83.08621	4.1
84.05324	1.1
85.06564	0.7
91.05486	6.1
93.07043	10.6
95.04974	1.9
95.08601	7.7
97.02883	0.7
97.06522	0.8
97.10166	2.2
99.08061	3.2
105.07025	9.9
107.08599	9.0
109.06556	0.8
109.10139	6.8
110.53496	0.6
111.04457	2.4
111.08112	0.8
117.07029	1.3
119.08573	8.3
121.10160	5.4
123.08051	1.4
123.11730	1.0
125.09615	1.8
129.06998	1.3
131.08556	4.9
133.06505	0.7
133.10117	6.6
135.08052	1.8
135.11684	4.3
137.09645	1.2
142.07776	1.0
142.29320	0.7
142.36024	0.6
143.08514	3.4
145.10101	4.9
147.08038	0.6
147.11732	3.2
149.09657	0.9
149.13289	2.3
151.11212	2.6
155.08578	2.2
156.09354	1.6
157.10101	4.1
158.10876	0.8
159.08086	0.8
159.11681	6.4
161.09630	1.0
161.13304	3.7
163.11230	0.7
163.14781	0.8
168.09315	0.6
169.10139	2.8
170.10963	1.2
171.11700	8.3
173.13226	5.8
174.10571	0.7
174.13957	1.0
175.11198	0.8
175.14798	1.3
177.05501	0.8
179.14317	4.3
181.10088	1.1
182.11441	0.7
183.11668	3.5
185.13280	2.7
187.11159	0.8
187.14847	1.9
189.09178	0.8
189.11311	0.9
193.10101	0.6
195.11760	1.2
197.13202	1.5
199.14801	1.0
201.12709	0.8
209.13309	3.0
211.11246	1.6
211.14810	4.4
213.12828	0.8
215.10744	1.7
221.13324	0.8
223.14961	0.9
225.12840	0.8
225.16414	3.2
227.12721	1.3
231.13829	1.7
235.14841	1.9
241.19536	1.3
243.17468	0.8
253.15883	7.2
253.18275	1.1
259.20633	2.9
269.15369	0.9
269.18652	0.7
271.16925	18.6
271.71991	0.7
272.17282	1.1
277.21631	9.4
285.18372	0.8
295.17093	0.7
323.23615	1.1
351.25714	8.6
369.24115	16.2
370.24710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48666	0.9
53.03940	1.1
55.01867	5.3
55.05512	7.9
56.96562	1.2
57.03435	5.8
57.07071	1.3
65.03926	1.0
67.05505	10.7
69.03428	1.7
69.07070	7.0
70.72980	1.7
70.73347	1.5
71.05000	1.0
71.08630	2.0
74.20287	0.7
79.05489	9.4
81.03416	1.5
81.07055	34.5
82.07392	1.4
83.05001	3.8
83.05403	0.8
83.08607	4.5
85.02905	1.1
85.06549	0.9
89.03895	0.8
91.05489	6.8
91.33189	0.7
93.07034	9.6
93.41195	0.7
95.04969	2.3
95.08615	8.0
96.79901	0.7
97.02865	2.3
97.06514	2.7
99.04449	1.5
99.08085	1.0
105.07039	6.1
106.36166	0.8
107.04943	2.0
107.08595	9.5
109.02924	1.0
109.06519	13.4
109.10162	5.2
111.04434	17.2
111.08060	1.9
116.98609	0.8
117.06995	2.0
119.08591	8.7
121.06520	1.2
121.10168	6.7
123.08051	3.5
123.11726	2.0
125.05968	5.7
127.03908	2.4
131.04962	1.1
131.08600	3.6
133.10135	9.7
134.99608	1.0
135.04388	0.8
135.08044	3.6
135.11705	6.5
137.05974	100.0
137.13248	3.4
138.06300	2.9
140.77574	0.9
143.08548	2.4
145.02835	2.7
145.10106	2.8
147.08028	2.6
147.11658	6.7
149.09595	4.5
149.13245	3.1
151.07555	3.0
151.11224	2.4
153.09145	1.2
157.10109	2.3
159.11681	2.9
161.09601	8.3
161.13277	2.3
163.03920	5.3
163.11147	4.8
163.14793	1.1
165.09106	3.1
165.12740	1.2
167.07024	1.1
167.10655	1.7
171.11647	2.0
173.13170	0.9
175.11189	4.5
175.14812	1.5
177.05408	4.8
177.12672	1.4
179.10712	3.0
179.39601	0.8
185.13205	0.7
189.09113	2.3
189.12762	1.9
190.95357	0.7
193.12274	1.5
203.05937	1.0
203.17981	6.8
207.10103	2.0
207.13881	1.3
213.16441	3.1
221.19081	2.2
223.14740	1.0
225.11208	2.0
231.17415	10.1
237.00620	1.6
241.15973	1.1
249.09048	1.3
249.18504	11.0
255.01721	1.2
269.17593	1.6
277.08603	1.5
277.17993	59.3
277.21198	2.5
278.18369	2.3
291.10193	1.2
295.08594	0.9
295.19046	25.4
296.19525	2.1
309.11081	1.3
319.09793	0.9
337.10696	5.8
338.10983	1.0
348.12589	1.2
351.21674	13.3
351.25723	1.1
357.12704	2.0
369.13513	4.9
369.22702	7.7
369.26651	1.5
370.13770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.05499	2.5
55.89923	0.9
56.96573	2.3
57.03416	1.7
59.04997	1.7
59.06124	1.2
65.03934	1.8
67.05498	2.5
69.03416	3.6
69.07062	7.1
70.06596	1.9
71.04646	1.6
71.04996	22.1
71.28665	3.2
73.06544	3.5
79.05482	5.0
81.03416	1.7
81.07063	24.4
83.04974	2.1
83.08605	1.9
85.02916	10.6
85.06531	6.0
89.01503	1.3
89.03918	4.4
91.05482	4.2
93.07056	12.7
95.08604	2.6
97.02885	2.5
97.06534	6.2
98.98466	1.5
101.07125	2.1
105.07027	1.8
107.08589	15.8
109.02879	1.6
109.10155	8.0
111.04447	1.3
116.98624	1.2
117.03410	11.8
119.04911	1.5
121.10105	1.5
123.11710	8.4
127.03924	1.8
127.11218	7.3
134.03644	1.8
135.04414	2.9
135.11687	27.2
141.11688	2.2
141.12750	40.1
145.02847	27.6
147.04424	7.9
149.05986	5.8
153.12752	62.6
162.78894	1.3
165.12662	1.3
171.08032	2.3
171.13809	100.0
172.14137	2.0
173.08128	2.0
177.05475	66.5
178.05803	3.0
189.14879	9.8
201.00754	1.9
207.15889	10.0
269.95261	1.5
369.15042	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56652	0.9
55.05508	1.2
56.96551	1.6
57.07062	1.5
59.05019	1.1
61.02906	1.3
67.05504	2.1
69.03445	2.4
69.07081	5.2
70.06590	1.4
71.05003	20.5
71.18103	2.2
71.18468	1.5
73.06547	3.5
75.76806	1.0
79.05505	3.6
81.07070	20.6
83.08613	1.9
85.02910	8.6
85.06554	3.5
89.03925	2.2
91.05478	1.3
93.07049	10.8
95.04973	0.8
95.08613	1.8
97.02907	3.5
97.06535	4.7
107.08609	9.3
109.02888	1.2
109.10164	3.7
110.66845	1.0
117.03402	4.9
122.07188	1.0
122.83508	1.0
123.11739	8.0
127.03886	1.9
127.11205	6.7
135.05894	1.0
135.11711	25.2
141.12758	37.0
141.13857	2.0
145.02870	11.5
145.05022	1.6
147.04417	2.0
149.06001	2.0
153.12756	60.2
159.73627	1.0
171.13823	100.0
177.05470	21.2
177.06870	1.7
178.05916	1.3
189.14850	11.0
201.00706	1.2
207.15964	3.1
219.01735	1.6
249.13510	1.2
288.07819	1.2
369.11761	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.01868	6.1
55.05510	9.0
57.03435	3.9
59.04993	1.8
65.03942	1.8
67.01848	3.1
67.05509	19.7
69.03432	15.4
69.07059	7.9
70.49258	5.7
71.04977	4.8
71.08614	3.7
73.02917	7.1
79.05489	16.1
79.16535	1.4
81.03415	17.0
81.07056	27.5
83.04971	6.3
83.08612	5.0
85.02898	5.2
91.05478	30.8
93.07049	39.1
95.04995	7.5
95.08602	16.3
97.02890	19.9
97.06531	2.8
97.10130	1.5
99.04452	6.2
99.08086	4.1
105.07031	57.5
107.04980	2.3
107.08595	29.2
109.02878	29.4
109.06510	15.6
109.10154	13.4
111.04427	7.1
111.08070	6.6
115.05417	2.3
117.07021	8.0
119.08577	81.4
121.06508	10.9
121.10136	17.5
123.08076	14.8
123.11680	8.7
125.09695	1.9
127.03911	59.0
128.06206	5.1
129.07021	4.2
130.07765	1.8
131.08577	9.9
133.06569	2.8
133.10126	86.5
135.08087	6.4
135.11699	10.3
137.05966	3.7
137.09581	7.2
139.11148	1.5
142.07837	3.1
143.08556	17.8
145.04958	6.6
145.06477	1.7
145.10106	8.9
146.07259	3.1
147.08041	38.9
147.09218	2.0
147.11688	3.6
149.09599	2.3
149.13248	1.6
151.11195	13.1
157.10143	5.3
159.07997	2.4
159.11740	2.0
160.08830	1.5
161.09618	62.7
161.13338	2.3
162.10030	1.8
163.11191	8.8
165.09113	41.9
165.12775	1.4
166.09431	2.3
169.10110	2.5
171.08066	12.0
171.11729	2.6
173.09599	4.7
174.06766	1.5
175.11165	8.9
177.05490	2.1
177.12926	1.3
179.10658	30.6
179.12163	1.9
181.10149	1.7
183.11707	2.4
185.09592	4.7
185.13304	1.9
187.11186	2.4
189.09102	86.8
190.09489	2.4
191.10893	1.8
197.13297	2.4
199.11165	2.7
201.12793	2.4
203.10596	8.0
204.11313	1.6
207.10159	58.1
208.10539	1.6
208.96474	1.8
211.11185	1.6
211.58493	1.3
213.12738	3.3
217.12254	3.2
225.11206	100.0
226.11545	3.2
232.96495	2.0
250.97411	1.8
267.12213	2.5
269.17389	2.5
277.21719	7.3
297.13400	3.6
305.18820	1.6
309.18484	1.7
323.20065	6.2
333.13269	5.3
333.18430	3.5
337.10779	3.1
339.19681	1.9
341.21094	15.1
351.14417	5.2
351.19547	16.5
351.25201	4.6
369.20578	55.5
369.25024	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	369.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.05509	0.8
56.96556	0.7
59.06109	1.2
67.05484	0.6
69.03440	2.8
70.06590	1.6
71.04988	0.7
71.58465	0.5
71.59209	0.7
77.70264	0.6
79.05491	0.9
81.03391	0.6
81.07041	0.7
83.04987	0.6
85.02930	2.6
85.07677	0.5
86.09691	0.9
87.09232	1.3
89.03925	6.0
91.05495	1.4
93.07072	1.0
95.04988	1.0
97.02898	0.9
98.09634	0.6
98.97574	0.7
101.07150	0.8
105.07043	1.7
107.04967	0.7
107.08656	0.8
111.04469	0.6
117.03388	18.7
118.03734	0.8
119.04900	0.8
119.08197	2.2
123.04459	1.4
128.06232	2.0
133.06534	1.0
133.10112	0.7
134.03622	2.5
135.04411	2.2
135.11646	0.8
143.08582	3.4
145.02850	47.1
145.06485	1.6
146.03162	2.7
147.04456	2.6
147.07982	0.8
149.06006	6.5
160.05206	0.8
161.05980	1.0
161.09660	1.5
163.03865	1.0
163.07588	2.9
167.07059	1.2
171.08069	1.6
174.06770	2.5
177.05482	98.5
178.05795	5.9
186.05515	1.1
189.09126	7.5
194.09444	0.5
207.10182	100.0
208.10538	4.8
369.04913	0.7
369.19324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52500	0.6
53.03940	1.1
53.59713	0.7
55.01857	1.2
55.05513	1.0
56.85043	0.6
56.96557	2.1
57.03425	2.4
59.06110	1.0
61.02920	2.5
65.03929	0.8
67.05495	1.6
69.03075	1.2
69.03429	12.9
70.06575	2.1
71.04986	1.2
71.58739	0.9
72.08160	0.8
73.02908	2.1
81.03407	3.0
81.07076	0.8
83.04974	1.6
84.08154	1.0
85.02430	1.1
85.02911	17.2
85.06559	0.8
87.04449	1.2
89.03922	6.7
91.03942	0.7
91.05495	5.5
93.03378	0.8
93.07069	1.6
95.04942	2.0
95.08572	0.8
97.02899	7.7
98.09700	2.2
98.97578	1.1
99.04443	1.6
103.05428	1.0
105.07037	4.4
107.04973	4.8
109.02882	2.2
110.07146	1.5
111.04429	1.7
115.05457	1.4
116.98650	1.8
117.03385	21.5
117.07002	2.1
119.04969	3.8
119.08599	1.3
121.06477	1.6
123.04409	0.8
127.03899	4.3
127.08760	0.8
128.06229	7.7
129.05510	0.9
129.06999	1.4
131.04941	1.0
131.08574	6.0
132.05656	0.8
133.06506	4.0
133.10152	2.1
134.03586	1.3
135.04402	2.6
137.05981	2.1
141.06984	1.9
143.08553	12.8
144.05705	1.6
145.02853	49.4
145.04831	2.0
145.06499	3.9
145.10091	1.9
146.03157	1.3
146.07253	2.1
147.04411	6.3
147.08038	2.5
149.06001	7.9
157.06453	0.8
159.08080	5.5
160.05206	2.7
160.08832	2.9
161.05998	4.4
161.09625	14.2
163.03894	2.8
163.07512	1.1
169.07603	1.0
171.08049	15.8
173.09633	2.8
174.06776	2.2
177.05475	100.0
178.05881	3.7
186.05518	2.4
189.09113	63.8
190.09555	1.8
191.10657	2.1
201.00668	1.9
207.10175	80.5
208.10501	3.3
213.12360	1.2
265.08240	0.7
305.72473	0.8
316.38776	0.7
369.15436	20.1
370.15863	1.6
391.68152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
52.78480	2.6
53.03941	5.6
54.07631	2.4
55.01860	4.3
55.05503	3.9
60.45896	2.6
65.03940	19.1
67.05493	7.3
69.03407	4.2
69.26504	28.9
77.05246	2.6
78.04739	3.0
79.05490	11.6
81.03410	4.2
81.07047	6.0
82.04200	4.6
85.02887	7.7
91.05486	10.6
93.03399	3.6
93.07024	6.1
95.04968	18.1
97.02859	3.4
103.05430	4.8
105.07053	6.7
107.04963	21.1
107.08565	3.0
110.03632	12.9
111.04469	14.8
115.05460	5.8
117.03379	7.6
117.06995	3.5
119.04945	4.6
119.08571	12.9
121.10117	4.6
122.03687	4.9
123.04425	10.3
124.05182	4.0
124.08846	3.0
125.05997	13.9
125.09634	10.3
127.05506	2.7
128.06224	8.1
129.07004	7.7
131.04904	3.5
132.05724	4.8
133.06462	2.8
133.10120	4.8
135.04439	4.7
135.11656	3.0
137.05975	27.7
138.03084	4.5
141.06926	3.9
143.08598	3.4
144.05705	5.4
145.02885	14.6
145.06476	8.0
147.04440	5.6
147.08035	6.6
149.05974	3.9
151.03914	6.4
151.07561	4.8
153.05461	42.0
155.04909	5.9
155.85481	2.5
156.05739	5.4
157.06454	4.5
159.08032	5.5
161.06003	8.5
163.03987	3.1
167.07056	30.5
169.06477	9.1
171.06569	6.6
171.08029	3.1
172.05157	4.8
175.07545	28.0
175.28027	2.9
177.05490	27.1
177.06920	4.4
178.07809	6.1
179.08626	2.9
181.04956	62.1
181.06511	5.3
183.06519	10.6
184.05240	11.5
185.05986	8.9
186.06822	4.1
187.07584	15.0
189.06992	4.5
190.07776	4.6
191.08537	7.4
198.06775	3.5
199.07523	100.0
200.08138	3.0
201.05365	4.1
202.07863	6.4
203.08635	7.5
205.06509	4.2
206.07277	7.8
207.06493	7.9
207.08224	6.2
208.08873	6.3
209.11768	5.9
215.07053	7.5
216.07762	13.4
217.06564	3.1
218.07356	9.1
219.06415	6.5
219.08255	16.0
220.08862	9.3
221.05922	5.5
221.09557	6.4
222.06815	3.1
223.07602	7.4
229.08643	10.0
231.08173	7.4
232.08813	3.8
233.06021	5.8
234.06821	10.4
235.07524	19.3
236.08241	14.2
237.08940	4.5
238.09880	3.1
245.08124	3.5
246.06827	6.3
247.07510	14.0
248.08308	9.4
249.05524	4.3
249.09143	16.6
251.07051	8.3
251.10646	20.6
261.05338	4.6
261.09180	5.7
262.06354	6.4
263.07013	13.2
263.10718	3.7
264.07822	27.4
265.08606	12.1
266.09406	5.5
266.40564	2.6
275.07172	3.5
276.07797	8.0
277.08560	28.4
278.06091	2.6
278.09393	9.8
279.06680	7.2
279.10223	16.7
281.08124	12.0
281.11542	5.6
289.05182	3.4
291.10034	6.8
292.07425	3.7
293.08139	11.9
294.08847	13.6
295.09769	3.6
304.07526	3.2
305.08069	12.4
306.08542	5.1
307.06152	5.5
307.09604	47.8
308.06958	3.1
308.10382	10.6
309.11160	25.7
311.12769	40.4
319.09634	6.7
322.08487	6.5
323.09277	7.1
324.09927	9.3
336.09857	4.0
337.10663	72.8
337.14636	4.0
338.11343	13.4
339.12274	81.8
339.16391	6.1
340.12579	3.8
341.13879	10.5
351.12305	8.2
354.11047	10.0
369.08667	4.8
369.13348	89.6
369.22748	4.5
377.80112	2.7
388.34546	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	369.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.8
57.03429	0.5
67.05513	0.8
69.03424	1.6
70.06583	0.6
70.64588	1.8
70.84616	0.5
71.01350	0.5
73.02916	0.6
81.03407	0.7
81.07054	1.2
83.04969	0.8
84.08124	0.6
85.02911	3.0
86.09701	1.3
89.03921	7.8
91.05476	9.6
93.07029	0.8
95.04967	0.6
95.08617	0.9
97.02885	1.3
98.97591	1.2
99.04429	0.7
103.05442	0.7
105.07026	1.1
106.04189	0.5
107.04917	0.6
110.07149	0.7
111.04437	0.5
116.98550	1.1
117.03380	7.7
117.07034	0.5
121.06538	0.7
127.03932	0.6
133.06555	0.9
133.10129	0.7
134.03592	2.8
135.04424	6.3
136.07585	1.5
137.06007	0.7
145.02846	10.8
147.04352	1.5
149.05975	11.0
162.03021	0.6
163.03925	11.2
167.07114	0.6
177.05472	100.0
178.05779	2.6
179.03416	0.8
191.07115	0.8
193.08591	1.7
207.06499	1.4
287.64148	0.6
289.42050	0.5
337.10663	1.1
346.70422	0.5
369.02618	1.1
369.14996	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03951	3.5
55.01871	0.6
55.05513	0.5
56.96560	0.4
57.03436	7.1
59.05009	2.5
61.02914	0.7
65.03947	0.4
67.05501	0.6
68.25637	0.3
69.03435	2.3
70.88417	0.7
71.01358	6.2
71.04992	3.6
73.02915	4.5
75.04475	0.7
77.03925	1.0
79.05492	4.9
81.03409	1.1
81.07068	0.5
83.04980	0.8
85.02904	15.0
87.04468	5.6
89.03925	1.2
91.05482	44.8
92.05825	0.6
93.07066	0.5
95.01335	2.0
95.04969	7.5
97.02892	5.0
97.06520	0.9
99.00829	1.8
99.04457	4.2
101.02382	1.3
103.03946	1.9
105.03391	100.0
106.03714	1.4
109.10123	0.4
111.04453	0.9
113.02364	3.6
114.36595	0.4
117.03372	2.3
117.05531	0.7
119.04986	0.6
119.08527	0.4
121.06545	0.5
123.00774	0.4
123.04436	6.4
127.03922	1.6
131.03415	2.8
131.04872	0.4
131.82181	0.4
133.10146	0.4
134.03639	0.3
135.04399	0.6
137.05978	2.5
141.01826	5.9
141.05417	0.6
142.91263	0.4
145.02846	5.6
145.04990	0.8
145.06467	0.6
147.04416	0.4
147.11798	0.5
149.06010	1.2
155.03371	1.0
155.06973	0.5
159.02905	0.9
159.06519	0.8
161.05972	0.4
163.03918	0.7
169.04955	1.0
173.04485	1.0
177.05478	13.9
178.05840	0.4
179.07039	35.6
180.07359	0.5
187.05991	0.7
189.12779	0.6
193.08606	10.9
197.04451	0.6
197.08084	1.7
207.06514	8.4
207.08389	0.6
207.13974	0.5
213.09070	0.5
215.05490	1.3
221.08121	0.5
233.06554	0.5
235.09567	1.7
245.08231	0.3
276.09970	0.6
277.07001	1.9
277.10699	0.9
302.43698	0.4
323.11298	1.5
333.10004	0.4
337.10785	0.4
351.10867	1.6
369.11603	1.5
369.15250	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	369.1179
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
62.27485	0.5
63.02369	0.6
70.60443	0.4
70.64937	0.6
70.65292	1.4
83.04979	0.8
85.02911	0.5
89.03913	7.4
90.28000	0.4
91.05466	0.8
92.66012	0.5
95.04935	0.7
97.22881	0.5
117.03378	23.8
118.03670	0.7
134.03653	1.7
135.04401	1.7
145.02841	54.0
146.03197	1.0
149.05984	10.0
163.03973	0.6
165.80429	0.5
177.05464	100.0
178.05821	2.6
182.24544	0.4
186.05453	0.9
232.42491	0.5
384.09030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1184
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
59.06115	0.9
69.03426	1.3
69.72367	3.6
76.99364	0.5
83.04973	0.5
85.02911	1.2
87.04444	0.6
89.03920	7.2
91.05487	1.2
97.02886	0.8
102.09234	0.6
113.74578	0.5
117.03385	17.9
119.08179	1.5
134.03603	1.5
134.05157	0.6
135.04416	1.9
145.02853	48.0
147.04405	1.0
149.05995	8.6
150.69339	0.5
153.12839	0.6
153.47699	0.5
161.09589	1.0
163.03899	2.1
177.05478	100.0
178.05846	1.9
186.05551	0.7
189.09113	1.3
207.10155	1.7
369.15387	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.9
60.04526	3.9
63.27369	3.5
67.05506	25.8
69.03429	19.1
69.07065	8.6
70.00080	14.1
70.00499	8.4
71.04984	3.9
79.05477	13.0
81.03406	15.0
81.07062	28.4
83.04984	21.5
84.05308	5.7
85.02891	10.7
91.05471	22.9
93.07031	24.7
95.04947	8.8
95.08647	19.1
96.08119	11.7
96.08858	3.6
97.02901	30.2
97.06519	6.0
98.21494	4.4
99.04446	6.0
105.07034	39.3
107.04939	6.7
107.08578	22.6
109.02887	30.3
109.06519	15.8
109.10155	83.6
111.04416	22.1
112.04766	4.8
112.51902	4.2
117.06987	6.3
119.04928	5.5
119.07796	4.7
119.08585	55.2
121.06478	6.7
121.10125	17.4
121.45637	3.7
123.08041	12.3
123.11671	5.8
127.03938	25.3
131.05014	5.0
133.06503	4.3
133.10138	56.3
135.08006	3.6
135.11653	7.2
137.05974	12.3
137.09642	4.5
143.08542	10.0
145.02888	7.0
145.10103	5.7
147.04372	6.0
147.08052	27.3
147.11705	6.9
149.05894	6.3
151.07568	5.7
151.11130	4.0
156.10248	5.9
159.11696	5.9
161.09621	35.6
162.15939	3.6
163.11125	6.5
164.15591	3.3
165.05608	4.3
165.09119	35.1
177.05457	11.5
179.10696	29.6
179.36488	4.2
187.11267	4.6
189.09084	42.6
207.06482	4.9
207.10168	81.4
219.08102	5.9
225.11229	100.0
234.06712	4.7
248.08249	4.2
273.18408	6.1
277.08521	8.7
305.08228	5.1
308.22095	5.3
309.11142	6.3
315.19598	13.4
333.20486	5.2
337.10696	22.0
368.24323	8.1
369.13153	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	368.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.9
60.04526	3.9
63.27369	3.5
67.05506	25.8
69.03429	19.1
69.07065	8.6
70.00080	14.1
70.00499	8.4
71.04984	3.9
79.05477	13.0
81.03406	15.0
81.07062	28.4
83.04984	21.5
84.05308	5.7
85.02891	10.7
91.05471	22.9
93.07031	24.7
95.04947	8.8
95.08647	19.1
96.08119	11.7
96.08858	3.6
97.02901	30.2
97.06519	6.0
98.21494	4.4
99.04446	6.0
105.07034	39.3
107.04939	6.7
107.08578	22.6
109.02887	30.3
109.06519	15.8
109.10155	83.6
111.04416	22.1
112.04766	4.8
112.51902	4.2
117.06987	6.3
119.04928	5.5
119.07796	4.7
119.08585	55.2
121.06478	6.7
121.10125	17.4
121.45637	3.7
123.08041	12.3
123.11671	5.8
127.03938	25.3
131.05014	5.0
133.06503	4.3
133.10138	56.3
135.08006	3.6
135.11653	7.2
137.05974	12.3
137.09642	4.5
143.08542	10.0
145.02888	7.0
145.10103	5.7
147.04372	6.0
147.08052	27.3
147.11705	6.9
149.05894	6.3
151.07568	5.7
151.11130	4.0
156.10248	5.9
159.11696	5.9
161.09621	35.6
162.15939	3.6
163.11125	6.5
164.15591	3.3
165.05608	4.3
165.09119	35.1
177.05457	11.5
179.10696	29.6
179.36488	4.2
187.11267	4.6
189.09084	42.6
207.06482	4.9
207.10168	81.4
219.08102	5.9
225.11229	100.0
234.06712	4.7
248.08249	4.2
273.18408	6.1
277.08521	8.7
305.08228	5.1
308.22095	5.3
309.11142	6.3
315.19598	13.4
333.20486	5.2
337.10696	22.0
368.24323	8.1
369.13153	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	368.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22412	1.7
55.05517	10.2
57.03432	3.8
57.07069	6.0
59.05000	4.5
61.02935	4.0
67.05511	14.1
69.03444	8.4
69.07070	51.6
69.86257	3.5
69.86670	8.7
71.04981	3.0
79.05500	8.6
81.03426	3.6
81.07062	36.4
83.04966	1.9
83.08620	10.5
85.02920	21.2
91.05484	8.1
93.07048	50.4
95.08614	50.7
95.09222	3.1
97.02905	9.2
97.06540	10.7
97.21340	1.9
105.07058	2.4
107.08604	58.2
108.08952	2.7
109.09447	3.7
109.10156	44.6
110.10470	2.3
113.26746	1.8
119.08562	2.2
123.11712	12.9
125.13267	4.9
127.03923	4.5
131.07410	1.8
135.11700	93.1
137.13254	5.0
144.08159	3.0
145.02776	2.1
145.04921	2.2
146.80080	1.7
149.06073	1.7
153.12752	100.0
154.13004	2.7
154.98380	1.7
163.04610	1.8
164.05338	3.3
171.13783	27.6
177.05415	2.8
189.14862	18.7
190.06825	2.0
229.16273	1.9
248.11058	4.3
309.10715	1.8
337.35901	1.8
351.13675	5.3
369.18597	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01877	7.1
55.05501	3.1
55.42403	1.1
57.03436	5.2
60.04522	1.4
60.50466	1.2
61.02912	4.8
67.05492	3.0
68.99783	3.3
69.03429	36.3
69.07056	4.6
71.04972	3.1
71.38138	2.5
73.02911	6.9
79.05470	1.3
81.03414	23.3
81.07047	3.4
83.04993	1.4
83.08617	2.3
84.04504	1.2
85.02905	100.0
87.00833	41.0
87.04448	1.6
89.03902	1.8
91.03950	1.6
91.05475	2.5
93.07014	2.7
95.08611	2.4
97.02889	29.1
97.06554	1.7
99.04462	11.3
101.07085	1.1
105.01865	70.6
105.07047	1.7
107.08568	3.6
109.02876	28.2
109.10159	1.7
117.01848	2.7
119.08569	2.3
126.05492	1.4
127.03915	73.1
129.01804	3.8
133.10149	1.7
135.11674	2.7
136.06169	5.0
145.02933	1.9
145.04964	30.8
147.02945	2.0
147.04491	1.1
149.06020	1.4
153.12749	6.6
159.02881	13.2
163.03932	1.4
164.04260	1.6
164.58693	1.2
168.54442	1.1
171.13828	8.2
177.03986	1.7
177.05443	4.6
189.03955	3.2
189.14717	1.2
199.07362	1.3
213.03935	3.3
225.11195	1.6
231.05019	22.3
248.07764	1.7
249.06065	7.6
264.81845	1.5
337.10779	2.3
350.23157	1.3
368.12167	2.1
368.24667	2.1
369.13376	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59458	3.4
50.83352	2.8
53.03945	6.2
55.05508	18.5
57.03423	5.1
57.07069	10.1
59.04997	4.1
65.03934	5.5
67.05504	35.7
69.03422	8.9
69.07066	26.3
71.04996	9.2
74.29745	2.9
79.05495	29.9
81.07059	58.4
83.04986	3.9
83.08622	13.7
85.06557	9.3
91.05486	51.0
93.07046	79.2
95.04981	39.9
95.08614	64.5
95.11913	2.8
97.06532	13.7
98.56064	4.0
105.07035	88.2
107.04987	4.3
107.08601	61.5
109.06525	12.9
109.10172	35.3
111.08061	6.1
115.05489	4.3
116.06254	6.2
117.07025	22.4
119.08588	100.0
121.06490	10.2
121.10146	54.8
123.08092	7.8
123.11707	15.8
128.06229	12.3
129.06982	17.2
130.07808	7.8
131.08569	64.0
133.10135	63.7
135.08076	19.0
135.11720	24.8
137.09625	9.3
139.11182	4.6
141.06979	4.5
142.07759	21.3
143.08577	45.0
144.09331	13.0
145.10133	65.2
146.07318	7.2
147.08066	15.8
147.11694	19.8
149.09654	15.0
155.08585	12.7
156.09341	11.2
157.10126	46.8
158.10858	9.1
159.08081	5.4
159.11687	38.5
161.09625	45.3
161.13283	10.7
163.11183	6.6
165.07050	6.2
167.08549	6.3
168.09315	7.7
169.10124	17.6
170.10889	8.7
171.11678	27.4
172.12477	4.9
173.09650	4.4
173.13272	30.3
175.11166	10.5
175.14795	15.9
177.12685	3.8
179.08554	8.9
181.10115	10.7
182.10898	5.9
183.11685	15.6
185.13269	15.2
187.14851	12.5
189.16391	3.8
193.10085	3.9
194.10954	5.4
195.11719	10.1
196.12476	5.3
197.13263	23.2
198.14131	3.4
199.10956	3.8
199.14864	15.7
201.12779	5.5
201.16408	9.3
207.11700	8.4
209.13298	25.1
211.14838	8.7
213.12779	6.0
213.16463	7.7
215.17947	6.7
223.14919	8.7
225.16365	9.0
227.14229	22.1
235.14934	5.0
239.17836	8.9
251.18102	4.4
253.19638	4.4
255.17471	7.2
257.19009	4.4
265.19537	7.4
266.20200	4.7
267.17493	5.3
269.19037	4.0
349.25308	10.5
367.26462	15.2
367.30389	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	30.2
61.14085	8.0
67.05496	34.1
69.03410	8.0
69.07070	29.3
69.87179	46.9
71.04992	12.0
76.49313	7.1
79.05494	36.5
81.07065	71.0
83.08615	16.0
90.43896	6.5
91.05472	51.4
93.07052	78.7
95.04958	38.0
95.08612	65.4
96.27030	8.0
97.06542	17.8
98.21481	12.9
102.39289	7.3
105.07022	75.2
107.08607	62.6
109.06518	24.5
109.10145	41.4
115.05460	9.3
117.07014	24.1
119.08592	100.0
121.06549	16.0
121.10143	70.1
123.11687	16.2
124.35833	7.4
129.06999	18.4
130.07800	8.3
131.08530	54.5
133.10141	52.0
135.08095	16.2
135.11685	26.6
139.53729	7.0
142.07770	16.1
143.08588	53.1
145.10103	62.0
146.38318	7.0
147.11678	23.3
147.97842	7.5
149.09593	22.0
155.08601	12.4
156.09399	12.8
157.10146	45.7
159.11732	41.1
161.09618	46.2
161.13309	9.8
166.07912	7.7
169.10164	18.5
171.11650	20.9
173.13284	31.6
175.11134	10.1
175.14832	22.0
179.08640	11.6
181.10085	13.6
183.11726	23.0
185.13248	18.0
187.14856	20.3
193.10393	8.5
195.11649	13.6
197.13255	14.9
199.14853	21.6
201.16518	8.8
209.13258	22.5
227.14357	16.9
255.17424	9.5
271.20786	8.8
349.25134	14.0
367.22287	11.2
367.26300	20.9
394.21735	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01861	10.8
55.05510	57.0
56.04097	3.0
57.03450	5.8
57.07065	6.2
67.05505	62.1
67.86057	3.5
69.03403	6.8
69.07071	17.2
70.83062	7.5
70.83415	7.2
71.04996	6.5
79.05065	7.5
79.05492	99.7
81.07058	56.5
83.04984	45.2
83.08616	20.5
83.29640	3.3
85.02953	3.6
85.06522	3.7
91.05480	39.9
93.07047	64.3
95.04947	10.7
95.08616	32.6
97.06538	7.8
97.10153	21.5
99.64857	3.1
105.07022	52.6
107.04934	27.4
107.08595	86.9
109.06560	6.0
109.10152	33.7
111.08044	5.6
117.06983	18.2
119.08566	41.7
121.10127	23.6
123.08025	5.5
123.11703	13.9
125.09610	30.3
131.08589	20.3
133.10115	36.1
135.08066	12.0
135.11661	7.6
145.10147	26.4
147.11710	25.5
149.09618	80.0
153.09177	5.1
157.10098	6.4
159.11650	13.9
161.13240	12.0
163.11224	5.6
163.14815	7.3
169.12248	9.4
171.11681	4.5
173.11778	7.9
173.13257	10.5
177.14217	4.1
183.11604	3.7
187.13293	4.1
189.11195	24.4
197.13181	4.8
209.15405	11.9
215.14186	4.0
215.18019	4.9
227.12773	10.0
229.19498	10.7
245.13762	8.3
257.19009	26.1
275.20071	99.4
276.20535	3.8
349.20404	4.1
349.23749	100.0
350.24377	4.6
367.21579	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01877	4.8
55.05265	1.8
55.05511	25.5
57.03439	8.1
59.04982	1.1
66.37425	0.9
67.05170	1.8
67.05506	17.8
69.03424	1.6
69.06718	1.7
69.07070	22.2
70.84654	1.7
70.85017	2.5
71.04980	1.2
71.08633	31.9
79.05498	14.5
81.03410	3.1
81.07058	15.6
83.04986	4.2
83.08607	7.0
90.04063	1.1
91.05482	6.4
93.07043	9.4
95.04955	4.4
95.08603	7.4
97.06541	1.1
97.10165	11.5
97.12860	1.2
99.08091	20.2
102.63345	1.1
105.07034	3.7
107.04953	3.2
107.08607	9.7
109.06519	2.3
109.10157	7.3
111.04366	1.0
111.08071	1.3
117.07037	2.6
119.08602	1.7
121.06528	2.7
121.10138	2.9
125.09627	9.0
131.08556	2.2
133.10126	2.7
135.08043	1.9
135.11682	2.9
139.11214	2.2
149.09622	1.5
149.13252	1.8
151.11205	1.7
156.97517	0.9
163.11223	1.6
165.12811	1.2
167.10677	3.2
173.11751	1.5
177.12747	3.0
189.11229	4.6
195.13826	1.8
197.30635	1.0
247.20552	1.9
265.21640	1.7
268.64529	1.1
275.20084	9.0
293.21109	100.0
294.21381	4.9
367.24841	41.9
368.25143	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67379	4.1
53.03932	5.7
55.01872	22.6
55.05504	39.0
56.96555	11.6
57.03441	24.6
57.07071	7.8
67.05506	87.8
69.03421	15.1
69.07061	51.0
71.04973	7.7
71.08617	13.1
71.59130	6.5
72.91904	3.7
79.05499	57.9
81.03409	12.7
81.07058	100.0
81.44901	3.7
83.05000	20.2
83.08612	17.1
85.02908	5.7
85.06531	12.1
91.05482	65.4
93.07041	58.5
94.07304	3.8
95.04978	28.2
95.08609	60.9
97.02920	6.5
97.06530	30.9
97.10149	14.9
98.97556	9.3
99.04475	4.2
99.08084	17.1
105.07030	56.5
107.04265	3.7
107.04919	20.3
107.08591	54.3
109.06532	22.4
109.10169	32.7
111.04467	6.7
111.08109	6.3
111.63636	4.2
115.03906	6.2
116.19259	4.3
116.98615	5.4
117.07008	17.4
119.08587	45.8
121.06473	12.5
121.10123	27.7
123.08046	12.0
123.11704	10.8
125.09636	14.0
129.06976	8.9
131.08560	26.7
133.10144	42.4
134.99660	5.7
135.04451	4.2
135.08043	13.3
135.11685	17.3
137.09647	9.6
137.13225	7.1
143.08521	8.7
144.28973	4.0
145.10095	26.0
147.08046	7.3
147.11694	26.2
149.09575	28.6
149.13261	9.0
151.11137	9.1
157.10149	10.5
159.11681	27.6
161.13257	11.4
163.03896	23.3
163.11182	16.9
165.12775	9.7
167.10591	5.7
171.10248	6.6
171.11665	7.4
173.09541	4.1
173.13286	14.6
177.12743	6.5
179.14339	6.3
183.11842	5.2
185.13271	8.2
189.11223	15.9
191.10684	4.6
197.13263	4.2
203.14333	12.7
219.14178	4.3
219.17471	14.4
227.12743	4.9
239.18030	9.4
247.20529	9.5
253.17961	7.8
257.19046	25.2
275.20047	98.2
280.23627	4.5
293.21054	31.3
327.36844	4.9
349.16534	4.2
349.23758	48.9
358.16333	6.6
358.66299	8.3
367.11716	8.8
367.24850	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06292	1.8
53.03938	6.9
55.01868	21.9
55.05510	34.1
57.03439	28.0
57.07074	6.3
65.03932	3.8
67.05502	100.0
69.03427	7.4
69.07064	26.9
70.19263	7.6
71.04986	6.8
71.08636	8.8
75.56029	1.6
79.05489	52.3
80.72272	1.5
81.03419	12.9
81.07053	92.1
82.07414	2.3
82.85667	1.7
83.04984	19.9
83.08611	20.7
85.02911	3.1
85.06526	11.5
85.10170	2.1
91.05478	79.2
92.05792	2.1
93.07043	54.0
95.04965	25.6
95.08604	49.2
97.02887	3.1
97.06510	9.5
97.10176	7.0
99.04468	2.9
99.08086	8.7
105.07027	59.5
107.04947	15.4
107.08591	53.9
109.06509	11.9
109.10153	53.1
110.10481	1.9
111.04445	5.3
111.08099	6.8
113.05994	2.0
113.09634	3.1
117.07024	10.8
119.08582	21.9
121.06512	5.0
121.10159	12.4
123.04476	1.9
123.08088	12.7
123.11689	14.4
125.09632	15.3
127.07583	2.2
129.07039	3.1
131.08566	20.1
133.06499	2.7
133.10126	95.2
134.10489	3.0
135.08089	6.1
135.11688	17.3
137.09625	18.0
141.09076	1.8
143.08517	2.3
145.06517	1.7
145.10114	13.8
147.08041	2.9
147.11699	8.1
149.09595	8.9
149.13316	4.8
151.09953	3.2
151.11177	62.8
153.12796	3.0
153.29773	1.7
155.16312	1.7
157.10094	2.7
159.11731	6.5
161.09654	3.8
161.13255	4.1
163.03987	2.6
163.11174	12.4
163.14841	2.7
165.09108	4.7
165.12810	5.9
167.10657	2.6
169.10101	2.0
169.12259	8.4
171.11749	2.1
173.13275	5.5
175.11224	2.7
177.12752	9.1
179.10815	3.9
181.12238	2.1
187.11250	2.6
191.14401	3.2
195.13849	4.1
197.13258	2.4
200.23404	1.7
207.13818	2.5
209.11812	2.8
215.12813	3.2
229.19556	5.4
247.20642	6.1
253.14371	9.5
257.19110	6.4
262.80258	1.8
267.15939	4.4
275.20068	44.4
276.20401	2.8
293.21194	12.5
331.22800	1.7
349.23724	9.6
367.24866	66.3
368.25082	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01865	8.2
55.05513	42.1
56.96542	1.9
57.03439	15.7
57.07070	3.5
65.03960	1.9
65.71972	1.5
67.05507	43.8
69.03429	4.5
69.07066	13.8
70.73064	5.2
71.04997	4.3
71.08633	53.6
79.05061	2.3
79.05495	35.4
80.44093	1.4
81.03409	5.7
81.07065	36.4
82.73628	1.5
83.04977	6.2
83.08620	13.4
85.06523	1.8
89.25502	1.4
91.05481	15.2
93.07037	23.7
94.07396	1.9
95.04977	12.3
95.08613	20.9
96.23296	1.5
97.06522	4.4
97.10165	29.0
99.08096	36.4
101.14106	1.6
103.49197	1.7
105.07027	13.7
106.49649	1.5
107.04969	4.0
107.08599	25.4
109.06502	3.4
109.10159	11.7
111.08080	3.3
117.07050	8.1
119.08577	11.2
119.92355	1.5
121.06498	3.4
121.10151	8.4
123.08035	3.0
123.11710	3.7
125.09636	24.6
129.07014	2.2
131.08563	4.9
133.10162	7.5
135.08052	5.4
135.11705	3.2
137.09607	2.2
139.11201	5.2
143.08556	2.2
143.10716	2.2
145.10097	5.5
147.11687	3.6
149.13243	3.9
151.11163	4.9
153.09079	3.6
157.10146	2.3
157.94737	1.4
159.11693	2.7
161.13200	1.8
163.11165	2.6
165.12750	6.2
171.10120	2.3
171.36554	1.6
173.13246	3.2
175.02763	2.1
177.12764	6.0
189.11227	18.8
193.12222	2.1
195.13812	2.9
197.13177	1.7
205.12286	2.5
247.20564	3.6
257.19235	1.4
265.21634	2.0
267.15906	4.3
275.20071	25.0
276.20432	1.9
293.21109	100.0
294.21417	4.4
349.23749	3.2
367.25061	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38945	2.6
53.03930	3.9
55.01859	11.2
55.05267	2.6
55.05511	39.8
56.96552	2.7
57.03431	18.9
57.07063	5.3
59.45703	2.0
65.03922	3.9
67.05502	65.2
69.03419	8.8
69.07062	28.1
71.04967	3.9
71.08282	3.5
71.08632	47.5
71.57531	3.0
79.05491	39.5
81.03426	12.0
81.07057	67.0
82.07365	2.2
83.04985	17.3
83.08619	19.1
85.02908	5.4
85.06541	5.2
89.13450	2.0
91.05480	34.5
93.07039	47.4
95.04971	25.3
95.08608	44.5
97.06543	5.6
97.10182	23.8
99.07475	3.3
99.08089	40.0
102.84356	2.2
105.07021	35.1
106.07324	3.1
107.04974	10.6
107.08585	34.1
109.06517	9.5
109.10157	31.9
111.04423	2.9
111.08088	5.8
113.05961	2.4
115.05463	2.5
117.07011	11.5
119.08582	23.0
120.08965	2.1
120.72604	2.3
121.06499	9.4
121.10119	16.8
123.08058	7.8
123.11689	6.0
125.09643	22.2
129.06985	7.2
130.07745	2.4
131.08563	17.8
133.06500	4.0
133.10120	26.2
135.08032	9.0
135.11650	7.4
137.09596	6.6
138.34294	2.5
139.11176	17.3
141.12758	2.2
143.08519	3.2
145.10112	10.7
147.04305	2.9
147.08076	3.0
147.11673	15.6
149.09592	7.9
149.13199	5.0
151.11166	16.8
153.05363	2.8
157.10144	3.7
159.08020	2.8
159.11693	11.0
161.09560	2.6
161.13214	4.8
163.03888	3.2
163.11154	4.1
165.12764	4.2
167.10686	2.3
171.08012	3.8
171.10263	3.0
171.11682	2.2
173.09581	2.1
173.11740	4.1
173.13216	5.3
175.11264	3.6
175.14752	3.2
177.05379	3.1
177.12717	7.5
183.08167	2.7
183.11658	2.4
187.07466	5.0
187.11240	2.8
189.11229	13.6
191.14294	4.1
193.12169	3.0
195.11650	2.7
195.13820	2.8
197.09634	2.5
201.12700	4.3
203.07019	9.5
215.17871	2.3
217.08746	2.8
219.13832	2.6
226.14287	2.2
229.19466	3.1
247.20564	8.8
255.13898	3.7
257.18954	10.6
267.15933	5.3
269.17349	2.3
275.20062	87.1
276.20413	4.1
283.13083	3.0
293.17807	5.0
293.21103	100.0
294.21442	4.1
321.22101	5.4
322.18457	2.6
335.09219	4.7
339.23105	3.4
349.24261	27.0
367.12183	3.4
367.24564	63.7
368.25156	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Dendronpholide C
Peak:m/z	Relative Intensity
51.38945	2.6
53.03930	3.9
55.01859	11.2
55.05267	2.6
55.05511	39.8
56.96552	2.7
57.03431	18.9
57.07063	5.3
59.45703	2.0
65.03922	3.9
67.05502	65.2
69.03419	8.8
69.07062	28.1
71.04967	3.9
71.08282	3.5
71.08632	47.5
71.57531	3.0
79.05491	39.5
81.03426	12.0
81.07057	67.0
82.07365	2.2
83.04985	17.3
83.08619	19.1
85.02908	5.4
85.06541	5.2
89.13450	2.0
91.05480	34.5
93.07039	47.4
95.04971	25.3
95.08608	44.5
97.06543	5.6
97.10182	23.8
99.07475	3.3
99.08089	40.0
102.84356	2.2
105.07021	35.1
106.07324	3.1
107.04974	10.6
107.08585	34.1
109.06517	9.5
109.10157	31.9
111.04423	2.9
111.08088	5.8
113.05961	2.4
115.05463	2.5
117.07011	11.5
119.08582	23.0
120.08965	2.1
120.72604	2.3
121.06499	9.4
121.10119	16.8
123.08058	7.8
123.11689	6.0
125.09643	22.2
129.06985	7.2
130.07745	2.4
131.08563	17.8
133.06500	4.0
133.10120	26.2
135.08032	9.0
135.11650	7.4
137.09596	6.6
138.34294	2.5
139.11176	17.3
141.12758	2.2
143.08519	3.2
145.10112	10.7
147.04305	2.9
147.08076	3.0
147.11673	15.6
149.09592	7.9
149.13199	5.0
151.11166	16.8
153.05363	2.8
157.10144	3.7
159.08020	2.8
159.11693	11.0
161.09560	2.6
161.13214	4.8
163.03888	3.2
163.11154	4.1
165.12764	4.2
167.10686	2.3
171.08012	3.8
171.10263	3.0
171.11682	2.2
173.09581	2.1
173.11740	4.1
173.13216	5.3
175.11264	3.6
175.14752	3.2
177.05379	3.1
177.12717	7.5
183.08167	2.7
183.11658	2.4
187.07466	5.0
187.11240	2.8
189.11229	13.6
191.14294	4.1
193.12169	3.0
195.11650	2.7
195.13820	2.8
197.09634	2.5
201.12700	4.3
203.07019	9.5
215.17871	2.3
217.08746	2.8
219.13832	2.6
226.14287	2.2
229.19466	3.1
247.20564	8.8
255.13898	3.7
257.18954	10.6
267.15933	5.3
269.17349	2.3
275.20062	87.1
276.20413	4.1
283.13083	3.0
293.17807	5.0
293.21103	100.0
294.21442	4.1
321.22101	5.4
322.18457	2.6
335.09219	4.7
339.23105	3.4
349.24261	27.0
367.12183	3.4
367.24564	63.7
368.25156	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03935	4.8
53.56427	2.1
55.01875	33.8
55.05265	2.9
55.05513	38.1
57.03440	28.6
59.05001	3.8
62.77464	2.1
65.03936	4.0
66.93881	2.2
67.05507	85.6
69.03426	5.9
69.07070	52.9
70.03429	9.8
71.04991	9.1
71.08629	9.7
73.02971	2.4
79.05492	69.5
80.05840	2.3
81.03422	9.3
81.07061	100.0
81.12865	2.0
83.04990	20.8
83.08620	23.4
85.02864	2.5
85.06554	6.0
91.05486	61.9
93.07049	65.8
94.07411	3.6
95.04961	22.9
95.08609	59.0
97.02887	2.7
97.06522	21.3
97.10169	10.9
98.21433	3.1
99.08100	11.1
105.07035	55.3
107.04969	16.8
107.08598	52.4
109.06548	13.6
109.10155	32.5
111.04449	2.6
111.08083	24.5
111.11731	2.4
113.09641	2.9
115.05434	2.5
117.07022	20.5
119.08582	46.2
121.06540	6.4
121.10143	34.2
123.04483	3.3
123.08077	9.1
123.11727	8.2
125.06054	2.5
125.09651	13.0
127.07498	2.4
129.07031	6.5
131.08566	30.5
133.10123	39.8
135.08057	7.4
135.11694	15.4
137.09593	12.1
137.13194	2.3
139.11177	3.2
141.07025	2.9
143.08557	8.0
145.10141	23.3
147.11668	21.7
149.09630	22.9
149.13251	7.6
151.11198	9.4
157.10149	9.8
159.11693	21.1
161.09602	5.5
161.13272	8.8
163.03917	8.7
163.11223	20.6
163.14766	2.8
165.09090	2.2
165.12750	6.3
169.10136	3.3
171.10289	5.2
171.11598	5.3
171.94550	2.1
173.11967	2.7
173.13319	11.6
175.11205	4.9
175.14746	3.7
177.12717	10.4
179.10640	2.6
179.14297	3.3
183.11707	6.9
185.11864	2.7
185.13313	6.9
187.11229	4.2
187.14810	5.6
189.11234	8.4
189.12741	3.9
191.14258	3.0
197.13348	3.1
201.38623	2.2
203.14461	3.0
218.07228	3.7
219.17522	5.2
227.12782	5.2
229.14624	2.3
229.19582	7.0
239.17996	6.9
245.13806	3.4
247.20612	5.9
257.13928	4.1
257.19019	16.0
265.21695	3.2
269.17349	4.8
275.20078	74.2
276.20300	3.6
285.13800	2.9
285.63657	6.4
289.08841	2.6
293.21118	33.9
309.20432	13.1
331.22586	2.4
335.09253	13.2
349.23788	40.5
366.66470	3.3
367.11783	5.8
367.24765	82.6
367.52255	2.1
368.24921	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.2
59.04996	4.4
61.02937	2.5
67.05497	3.1
69.03424	4.5
69.07066	13.4
70.28167	9.5
71.04996	25.0
71.27000	2.3
78.03999	2.4
79.05490	8.1
81.07055	77.4
83.04986	5.7
85.02910	18.2
93.07043	7.0
95.08595	4.3
97.02885	5.2
97.06542	6.1
99.04467	2.8
99.08079	4.5
105.07016	3.3
107.08600	20.5
109.06507	4.1
109.10146	17.4
111.08109	4.4
111.11716	7.7
121.10149	2.9
123.11720	29.1
133.10162	3.9
133.67641	2.5
139.11177	14.6
151.11177	38.6
157.12231	23.1
169.12247	49.3
187.13300	100.0
205.14352	34.1
207.29111	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.4
59.04995	2.0
65.96545	2.0
67.05500	5.2
69.03433	4.4
69.07075	8.6
70.65382	6.6
71.04993	19.5
79.05497	9.0
81.07062	57.6
82.07359	2.2
83.04981	4.1
85.02908	10.8
93.07057	3.7
95.04939	2.6
96.47408	2.2
97.02917	3.0
97.06525	5.2
98.49763	2.4
105.07058	2.8
107.08594	10.1
109.06510	2.4
109.10149	13.5
111.11721	2.8
123.11696	15.1
138.27684	2.1
139.11188	6.7
147.04399	2.6
151.11192	24.6
157.12254	17.6
169.12231	30.8
187.13289	100.0
205.14368	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77570	1.1
55.05495	2.0
56.02439	1.2
57.03436	1.5
59.05004	1.2
61.02919	1.2
67.05499	4.3
69.03422	3.0
69.07066	7.8
69.71222	7.5
71.04993	17.8
72.58198	1.1
76.57431	1.2
79.05471	6.2
81.07060	52.5
82.07400	1.5
83.04981	2.5
83.08657	1.6
85.02913	7.9
85.06542	1.6
89.06092	1.2
93.07046	4.0
95.04980	1.9
95.08668	1.3
97.02853	2.5
97.06519	4.5
99.08103	3.6
105.07041	1.4
107.08604	8.5
109.06561	1.6
109.10153	13.1
111.08059	1.5
111.11723	4.9
121.10149	1.4
123.08078	1.1
123.11703	15.8
127.03961	2.8
133.10143	3.3
139.11224	7.7
151.11189	26.4
157.12242	14.4
163.04535	3.5
163.28427	1.2
169.12248	27.3
170.11140	1.3
170.12570	1.2
176.05304	1.7
184.11029	1.3
187.13297	100.0
188.13580	2.5
205.14366	9.5
228.08434	3.1
246.09505	12.7
247.09888	1.5
264.10544	12.2
293.63379	1.4
349.11978	1.8
367.13275	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01876	1.9
55.05503	5.2
56.96549	1.6
57.03452	1.8
57.07075	9.5
57.75608	1.2
59.04989	1.5
65.03945	1.2
67.05502	15.0
69.03427	85.0
69.07066	8.6
69.73386	2.4
69.73798	6.5
71.04989	3.6
79.05476	9.7
81.03394	4.3
81.07053	89.0
82.07372	2.7
83.04959	5.8
83.08591	2.3
85.02904	3.6
85.06527	1.3
87.00821	1.8
90.00982	1.3
91.05464	4.8
93.07040	15.2
95.04967	4.6
95.08603	59.5
96.08955	1.2
97.02892	2.1
97.06520	4.3
99.04428	1.4
105.01887	1.3
105.07007	7.4
107.08579	13.4
109.06510	4.4
109.10157	13.9
111.04436	6.5
111.08090	3.3
113.06014	1.2
117.07001	2.3
118.69682	1.1
119.08588	6.6
119.30377	1.2
121.06500	2.3
121.10136	14.5
123.08047	2.8
123.11687	4.6
125.05997	1.3
125.09640	1.6
127.07572	2.6
131.08542	2.1
133.10153	6.5
135.08058	5.5
135.11684	8.9
137.09613	64.2
137.13248	80.7
138.13582	2.3
139.07530	7.5
139.11165	5.1
145.10083	2.0
147.11685	5.4
149.09645	2.1
149.13237	4.3
151.11201	2.8
153.12721	3.5
155.40141	1.1
157.10132	1.8
159.11713	3.5
163.11201	2.4
165.12755	19.6
167.14351	3.5
173.13257	1.3
177.12746	10.4
185.13306	1.3
189.09088	1.4
194.93629	1.1
195.13805	100.0
196.14209	4.0
197.43701	1.1
201.12758	2.2
203.14244	1.2
217.15913	1.4
227.14172	1.6
228.46658	1.2
245.15317	7.3
263.16409	29.0
269.10611	1.3
282.86963	1.2
287.11823	1.2
323.18439	12.9
331.15479	1.4
335.09042	1.8
349.16458	58.8
350.16846	3.0
367.11981	2.8
367.17719	15.2
385.19086	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97755	4.0
53.03937	8.2
55.01893	16.8
55.05513	21.5
57.03436	10.5
57.07051	4.4
59.04974	4.4
60.30506	3.2
61.02933	6.6
67.05502	40.5
68.99789	11.9
69.03428	90.2
69.07073	49.1
71.01337	5.3
71.04999	8.0
73.02921	5.2
74.25739	3.0
79.05491	60.8
81.03429	39.6
81.07060	90.8
83.04984	60.1
83.08614	9.1
85.02908	45.6
85.06538	9.8
86.97131	3.4
87.00833	26.5
87.04441	4.4
91.05478	44.9
93.07047	100.0
95.04976	27.0
95.08609	56.5
97.02885	27.5
97.06521	12.9
98.20743	5.3
99.04459	8.2
99.08113	3.5
103.03969	3.1
105.01909	4.8
105.06373	6.5
105.07031	76.7
107.04948	17.2
107.08596	78.6
107.09299	6.0
109.02848	7.2
109.06525	59.0
109.10163	28.8
111.04457	38.7
111.08123	18.7
113.06033	5.5
115.03971	7.9
115.05462	6.3
117.06989	21.9
119.04958	4.9
119.08576	59.5
121.06520	19.0
121.10146	72.6
123.04452	9.3
123.08085	13.0
123.11703	20.9
125.06001	4.7
125.09618	4.4
127.03938	9.2
128.06259	8.1
129.01851	8.4
129.07001	26.3
131.04953	5.3
131.08578	38.9
133.02888	4.7
133.06500	14.9
133.10132	40.9
135.04454	3.8
135.08078	19.1
135.11673	41.9
137.05991	7.2
137.09583	8.1
137.13220	8.9
137.21724	3.2
139.07550	6.4
141.07001	6.6
142.07768	7.8
143.08537	27.0
144.09361	6.3
145.06482	8.3
145.10156	33.1
147.02885	4.3
147.08067	14.4
147.11700	49.8
149.05978	6.7
149.09680	17.1
149.13249	26.9
151.07564	9.6
151.11188	16.3
153.09198	4.3
153.12741	15.1
155.08617	7.7
156.09366	5.5
157.06609	5.1
157.10153	27.6
159.02869	8.7
159.08038	10.0
159.11691	36.9
161.06061	4.2
161.09671	11.4
161.13277	27.3
163.11153	8.9
163.14838	4.9
165.09164	4.4
165.12785	46.3
167.08519	4.0
169.10162	5.4
171.02844	4.5
171.07996	8.4
171.11644	16.7
173.09688	5.6
173.13240	23.6
175.07527	7.7
175.11148	10.7
175.14789	12.0
177.05447	6.0
177.09125	6.8
177.12798	30.7
179.08585	6.1
179.10735	4.1
179.14282	5.6
181.12273	3.8
183.11707	9.7
185.09637	9.0
185.13228	8.9
187.11253	4.7
187.14821	5.2
189.03896	7.7
189.09084	7.9
189.12717	16.9
191.14316	21.1
193.08656	4.4
193.12347	4.6
195.10057	3.7
195.13814	6.9
197.13182	6.5
199.11247	6.8
199.14847	16.8
201.12784	17.6
203.14363	26.7
207.13794	7.6
209.13264	6.6
215.14334	7.4
217.12262	5.9
217.15924	11.4
218.07329	7.4
219.13809	13.2
221.15408	37.8
227.14290	29.5
233.15430	8.1
235.07539	3.8
235.16801	4.1
245.15376	82.8
247.07571	4.3
261.09250	3.8
263.16455	66.7
264.07867	5.3
281.17505	6.1
294.18396	3.5
295.37759	3.8
305.17474	4.9
307.09711	6.2
307.15308	3.9
307.27435	3.6
323.18399	4.4
331.15469	10.6
335.09094	35.9
336.09341	5.5
349.16486	56.7
350.16641	4.9
367.11966	16.8
367.17505	71.0
367.22067	5.3
367.26340	7.3
368.17676	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	13.8
55.05509	18.8
57.07062	11.3
63.24712	5.4
67.05517	24.2
68.99795	5.5
69.03429	100.0
69.07072	29.4
70.20158	4.6
70.48600	14.9
71.04985	7.5
78.60918	4.9
79.05494	35.6
79.10776	4.5
81.03415	28.4
81.07056	95.7
83.04984	20.9
83.08617	9.5
85.02911	41.4
85.06120	4.4
85.06540	29.9
87.00836	20.8
91.05475	40.0
93.07050	76.9
95.04945	20.7
95.08603	48.5
97.02908	25.4
97.06529	17.2
97.10154	4.5
99.04409	5.9
99.08097	5.5
102.24412	4.7
105.07037	66.4
107.04929	14.5
107.08606	63.6
109.02870	6.3
109.06511	42.2
109.10160	24.1
109.51611	5.8
111.04443	13.8
111.08112	36.5
115.05420	8.5
117.07032	17.4
119.08575	54.5
121.06506	15.3
121.10137	43.5
123.04436	9.8
123.08057	17.0
123.11665	12.0
125.09649	51.9
126.09966	20.4
127.03931	8.0
129.06998	7.2
131.08546	27.6
133.06491	9.2
133.10138	42.0
135.08032	15.6
135.11719	38.5
137.05983	7.6
137.09605	10.2
137.13242	7.7
139.07529	8.7
142.07773	6.2
143.08548	18.1
145.06450	7.4
145.10133	33.3
147.08046	26.2
147.11671	40.9
149.06033	6.7
149.09621	16.3
149.13245	24.5
151.11201	7.3
153.12732	10.8
157.10115	15.0
159.08061	10.2
159.11757	29.6
161.09561	13.8
161.13286	23.9
163.11151	17.6
165.09085	11.0
165.12750	45.5
166.09436	6.5
167.14342	6.2
171.08025	5.5
171.11720	13.1
173.09637	6.5
173.13269	18.8
175.11223	7.8
177.09142	7.9
177.12811	30.9
179.10788	6.2
185.13271	9.7
187.11281	6.1
189.08986	6.2
189.12730	13.6
191.14270	14.2
195.13786	14.9
199.14821	13.2
201.12747	22.2
203.10683	8.4
203.14330	12.1
205.06516	5.5
207.13925	6.0
215.14323	7.3
217.15923	15.6
218.07375	7.3
219.13811	6.8
221.15427	11.3
225.11227	9.5
226.11647	6.3
227.14304	18.5
233.15390	8.3
245.15408	59.6
261.08963	6.0
263.16415	62.0
264.07779	7.8
289.08591	9.3
307.09549	9.2
331.15323	5.9
332.19382	6.0
335.09119	42.4
336.09576	5.9
349.16461	80.4
349.20383	6.5
350.20523	8.6
367.11975	10.0
367.17432	43.8
367.21646	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	367.1537
Annotation	Edulenane
Peak:m/z	Relative Intensity
55.01875	0.6
55.05512	1.1
59.51860	0.6
66.91885	0.6
67.05511	1.5
68.44156	0.5
70.61749	1.8
79.05492	2.1
81.03415	1.0
81.07053	1.1
91.05482	4.5
93.07055	1.6
95.04963	1.0
95.08607	1.3
105.03376	0.6
105.07013	2.8
107.08609	0.9
115.05473	2.4
116.06213	0.9
117.07037	0.6
119.08585	1.5
121.06479	1.5
121.10161	1.0
123.08081	0.9
128.06250	1.6
129.07021	1.7
130.04146	3.2
131.04906	4.6
132.05696	1.8
133.06500	2.2
135.04430	1.2
136.05185	1.7
137.05984	1.0
141.06998	1.0
144.05685	1.1
145.06474	2.1
145.10132	0.6
147.04449	4.1
147.08000	1.2
148.05154	1.3
151.03949	0.9
151.07550	1.1
156.05679	0.8
159.08064	5.3
160.05212	6.0
161.06013	5.2
162.06752	1.7
163.07526	1.5
166.06255	7.8
167.04922	1.8
169.06454	0.9
171.08046	2.3
172.05212	1.0
174.06723	0.9
175.03915	3.8
175.07536	7.6
181.08591	17.9
181.10187	1.0
184.05223	2.5
187.07492	0.8
189.09265	0.7
190.06241	19.6
191.07047	2.8
193.08563	0.9
199.07542	10.0
202.07771	0.9
203.08586	2.3
205.08591	76.7
206.07288	0.9
206.09198	1.8
215.08566	2.5
216.09073	0.7
217.10202	0.8
218.07245	3.0
219.08028	1.5
221.09663	0.8
229.06494	0.9
231.08080	3.8
232.08862	2.0
233.09662	6.8
234.06804	1.7
234.10297	1.5
235.07478	2.0
243.08081	1.7
244.08815	1.0
245.06003	1.7
245.09738	3.4
246.06775	2.5
246.10373	1.5
247.07547	2.4
248.08304	0.8
249.09158	2.6
250.09895	1.2
257.05896	1.6
258.06903	0.8
259.07584	2.8
260.08466	3.0
261.09085	13.9
262.06326	1.2
262.09891	5.9
263.07028	3.1
263.10431	1.6
265.08585	0.9
265.12164	1.6
266.09396	1.3
271.07596	1.5
272.08414	0.9
273.05728	1.2
273.09116	6.2
274.06247	1.7
274.09888	1.6
275.07111	2.2
275.10660	3.6
275.19965	1.2
276.07791	1.6
276.11444	3.8
277.08582	7.7
277.11862	1.2
278.09369	8.0
279.10040	1.1
287.07047	1.5
287.10541	1.1
288.07831	2.0
289.08560	16.3
290.09348	11.4
291.06592	1.7
291.10120	3.4
292.10892	3.3
293.08383	1.1
293.11639	8.6
293.21198	0.8
294.08856	0.7
303.10178	6.4
304.07455	1.5
304.10849	9.8
304.14093	0.8
305.08112	6.3
305.11722	29.3
306.08920	6.9
306.12109	1.0
307.09885	1.0
307.13202	3.7
309.11258	2.6
318.12436	0.9
319.09659	1.9
319.13403	1.1
320.10349	5.2
321.11188	44.6
322.08234	0.8
322.11575	1.9
335.09106	0.8
335.12759	18.6
336.13547	83.3
337.10641	7.5
337.14252	2.7
339.12140	1.1
339.15900	2.6
352.13046	10.4
367.15393	100.0
368.15891	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74083	0.6
55.01857	0.7
55.05516	3.8
57.03429	0.6
59.04999	0.7
59.06106	2.3
66.85619	0.6
67.05485	2.1
69.03421	2.5
69.07048	2.1
70.06604	3.1
71.04988	3.3
71.06893	0.7
71.58747	0.8
72.08156	0.9
74.06038	0.7
75.05590	1.5
79.05490	2.4
81.03406	1.4
81.07054	14.8
83.04987	4.8
83.08595	1.3
84.04501	0.9
84.34880	0.6
85.02895	4.8
85.06532	2.0
86.09682	1.8
91.05466	1.8
93.07063	4.2
95.04962	1.5
95.08573	1.4
97.02872	1.5
97.06528	0.9
97.29980	0.5
99.04431	1.2
99.08064	1.1
101.06016	7.0
101.07102	3.4
103.03909	0.7
105.06998	1.1
107.08597	3.2
109.02858	1.0
109.06519	1.7
109.10169	3.2
111.11708	1.1
116.07075	3.5
117.06616	1.3
117.07404	1.3
117.10221	1.6
118.02125	0.7
119.04936	1.7
121.10128	1.1
123.11690	4.5
127.03915	1.8
130.06511	1.8
131.07275	1.8
131.08441	0.5
133.10110	1.0
135.11700	1.1
136.12050	1.0
139.11176	2.0
144.08060	4.1
144.09056	0.8
145.04973	1.1
145.08676	0.6
147.04402	4.5
151.11201	4.7
152.05263	0.8
154.06406	0.6
156.08015	0.6
157.08855	10.8
157.10033	1.1
157.12230	2.8
158.09598	0.7
159.08075	0.7
159.10448	0.9
161.09676	0.7
162.12025	0.7
163.04515	31.3
164.05345	4.3
168.08113	1.3
169.08879	2.8
169.12247	7.3
170.09695	1.9
172.95262	1.2
176.05286	12.2
177.06091	3.1
178.06905	1.0
180.07971	0.8
182.09656	2.5
183.10477	1.1
184.09602	0.8
184.11218	11.3
185.11893	1.3
187.07585	1.8
187.13281	13.3
190.06810	4.5
190.96301	0.8
192.08377	1.6
194.09645	1.5
195.10423	10.2
198.09209	0.7
200.05325	4.5
200.10672	1.9
202.06839	3.2
203.07498	1.1
204.08452	1.2
205.08568	4.9
205.14342	7.3
213.06007	3.3
213.11504	2.6
215.07545	0.9
216.08386	3.8
217.09212	1.8
218.09964	2.4
220.07906	2.1
228.08395	27.1
229.08553	0.8
231.07146	1.2
238.08975	2.1
245.08997	0.6
246.09477	91.2
247.09741	3.7
249.08154	0.9
264.10532	100.0
265.10864	3.5
271.10791	2.2
307.06143	0.9
317.11310	1.1
321.12805	2.1
331.11078	4.5
335.12317	1.2
349.12094	12.3
350.12949	0.8
367.13278	18.3
368.13403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1178
Annotation	Candidusin C
Peak:m/z	Relative Intensity
53.03934	1.0
53.45913	0.5
55.01875	3.7
55.05508	3.3
57.03436	1.4
58.85118	0.5
61.25792	0.6
65.03898	0.6
67.05496	2.9
69.03410	1.9
69.07068	1.4
69.44324	1.7
69.44746	3.2
71.08621	0.7
79.05482	2.7
81.03416	1.3
81.07054	3.8
83.04983	8.0
83.08608	0.6
85.02889	1.0
91.05467	5.2
93.07063	3.2
95.04961	2.6
95.08632	2.7
97.06549	0.7
98.21465	1.0
105.07007	2.1
107.04947	1.4
107.08556	1.8
109.02830	0.7
109.06462	0.7
111.04437	5.8
111.08080	0.7
111.78928	0.6
117.07022	0.6
119.08555	1.5
120.96452	0.7
121.10117	1.2
123.11696	0.6
127.03944	1.3
131.04919	1.5
131.08533	1.1
133.10114	1.7
135.11685	0.7
139.03906	0.8
145.06499	0.8
147.11719	0.9
149.09590	0.7
149.13234	0.9
159.11708	1.3
165.06998	2.6
165.09091	0.9
176.00610	0.6
177.05530	0.7
177.06902	1.5
178.07739	3.8
179.08575	1.5
180.09299	0.6
181.06371	0.9
189.06976	5.1
190.07718	4.9
191.08510	3.0
193.06531	1.4
194.07237	1.3
195.08058	0.6
195.13748	0.5
196.17523	0.6
202.07822	4.6
202.09393	0.9
203.08566	1.7
204.09341	0.7
205.06529	4.6
206.07240	3.3
207.08017	5.1
208.08830	3.2
210.06978	0.6
215.08647	1.2
217.06413	1.1
218.07263	17.7
219.08009	7.7
220.08775	2.6
221.05968	5.8
221.09625	2.4
222.06776	0.7
224.08472	0.6
231.08072	3.7
232.08827	1.0
233.05974	2.4
233.09549	1.2
234.06726	7.7
235.07532	7.6
236.08253	6.7
237.09129	1.5
245.06021	1.6
246.06776	7.2
247.07518	6.7
248.08286	5.3
249.05409	3.5
249.09026	2.8
250.06204	1.1
251.06941	1.1
251.10593	1.6
255.16138	1.0
259.07410	0.8
261.06058	1.1
261.09076	12.9
262.06232	1.2
262.09778	0.8
263.06982	3.6
264.07822	14.6
265.08463	4.6
269.17432	2.0
274.06235	2.1
275.07025	2.5
275.20071	1.8
276.07852	2.5
277.05344	1.2
277.08621	5.5
278.06296	1.0
278.09241	7.0
279.10101	1.4
281.08197	1.3
289.05319	0.9
289.08582	14.1
290.08963	1.2
291.06482	1.2
292.07278	10.3
293.08075	6.3
305.08170	3.4
306.08789	2.2
307.09595	13.8
308.10379	3.9
309.07712	0.9
317.08011	7.8
320.06625	1.2
321.07562	1.8
335.09128	100.0
336.09567	11.1
352.09393	0.8
367.11749	26.6
367.25162	1.3
368.12195	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.05494	0.6
56.96568	0.6
57.03442	0.6
67.05500	1.0
68.99797	0.4
69.03432	21.9
69.63564	2.5
70.03767	0.6
71.08628	2.2
79.05485	0.5
81.03421	0.8
81.07042	1.0
83.04989	0.4
85.02913	3.7
87.00833	3.2
87.04468	3.8
89.03399	0.7
89.03921	7.9
90.04221	0.4
91.05462	1.1
93.07036	0.8
95.04971	0.8
95.08638	0.8
97.02881	1.0
98.20750	0.7
99.04469	0.5
99.08099	2.5
103.05466	0.6
105.01883	1.9
105.07043	1.1
106.04138	0.4
107.04965	0.7
107.08588	1.0
109.02847	0.8
109.10162	0.4
117.03385	30.8
117.07011	0.6
118.03736	0.9
119.08588	0.4
123.08076	0.5
127.03928	1.8
131.08575	0.7
133.06500	0.7
134.03601	2.3
135.04453	2.4
135.11679	0.5
142.98215	0.3
145.02849	70.4
146.03166	2.2
147.04384	0.7
149.05977	9.0
149.07126	0.6
158.06029	1.1
159.07889	0.5
159.11703	0.4
161.09589	0.4
162.03192	0.5
163.03897	1.2
163.07466	0.4
169.10194	0.8
173.04468	7.6
173.11813	1.9
175.07614	0.5
177.05476	100.0
178.05789	4.7
186.05470	3.0
187.11168	0.8
191.12697	0.4
195.06586	1.0
205.12267	1.4
246.98991	0.4
263.09155	3.8
281.10184	1.1
323.11145	0.7
349.09076	1.4
367.10248	24.1
368.10577	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
56.96553	0.5
65.03936	1.2
67.05495	0.5
68.90134	0.3
69.03429	0.7
70.06618	0.3
70.90867	0.8
71.04997	0.6
79.05533	0.4
81.03453	0.4
81.07053	2.2
82.07365	0.8
83.04975	0.3
84.08121	0.3
85.02903	0.5
86.09702	0.6
87.04448	0.6
88.58796	0.2
91.05479	10.2
93.07043	0.6
94.07362	0.3
95.04971	0.5
97.02865	0.7
105.07063	0.3
106.20541	0.3
109.10104	0.3
110.77746	0.3
113.02368	0.6
116.07079	0.5
119.04943	23.2
120.05262	0.8
120.08112	0.6
121.02842	0.8
127.03886	0.5
131.04974	0.3
136.06157	0.3
139.03871	0.4
145.06479	0.3
147.04411	100.0
148.04753	3.8
151.11227	0.4
151.45233	0.3
163.03900	0.3
165.05505	1.7
167.03380	0.4
169.12250	0.5
187.13354	0.4
283.08353	0.7
324.15598	0.4
349.09222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
55.05519	0.3
63.02381	0.4
67.05510	0.4
68.99801	0.4
69.03431	17.9
69.49982	2.0
70.06599	0.4
71.49614	0.3
78.04719	0.5
79.05478	0.4
81.07063	0.5
83.04986	0.3
85.02913	0.4
86.09734	0.3
87.00835	1.2
87.04472	4.3
89.03402	0.6
89.03917	7.8
91.05476	1.1
93.07023	0.4
95.04951	0.5
95.08595	0.7
95.59146	0.3
96.60777	0.3
97.02856	0.4
98.21530	0.3
103.05432	0.7
105.01934	0.3
105.05525	0.8
107.08574	0.3
109.10147	0.3
117.03384	26.3
118.03732	0.4
119.08580	0.4
121.06550	0.5
123.11723	0.4
128.34270	0.3
129.60188	0.3
133.06456	0.3
134.03658	2.2
135.04442	1.6
145.02850	62.2
146.03212	1.6
147.04417	0.5
149.05992	8.2
158.05969	0.5
159.08072	0.4
162.03156	0.7
163.03931	0.9
173.04472	6.6
173.05743	0.3
173.13240	0.3
174.96964	0.3
175.07542	0.7
177.05475	100.0
177.52602	0.3
178.05840	3.1
180.55881	0.3
186.05487	2.4
194.54361	0.3
195.06516	0.8
210.11819	0.3
246.99016	0.3
263.09134	3.9
263.11636	0.4
281.10257	1.1
323.11591	0.5
349.09241	1.0
367.10260	21.3
368.10593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0831
Annotation	Mutisifuro coumarin diacetate
Peak:m/z	Relative Intensity
56.96566	0.9
58.03906	0.4
58.54049	0.4
59.57654	0.4
59.75497	0.4
70.84015	1.1
74.63505	0.4
86.64632	0.4
87.42924	0.4
93.07027	1.2
94.52171	0.4
99.05556	0.7
99.09209	0.6
107.08610	0.8
118.92097	1.1
136.66599	0.4
136.93095	10.4
137.43480	0.4
151.57726	0.5
154.94167	27.7
157.08679	0.5
172.95238	59.5
177.95827	0.6
188.07001	0.9
190.96280	36.4
192.07736	0.5
195.96875	1.4
205.09846	0.8
213.97887	1.2
227.80367	0.5
235.00430	0.6
237.02034	1.9
238.29752	0.5
253.01566	2.3
255.03036	6.5
272.18219	0.6
273.04163	0.6
277.05212	0.6
289.05081	7.0
302.24133	0.5
307.06177	44.9
308.06448	0.9
317.35916	0.6
325.07230	100.0
326.07547	1.8
330.07800	1.0
343.08295	51.6
344.08768	0.8
348.08817	5.1
366.09781	1.4
367.08252	12.5
385.09363	5.0
391.55606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.9604
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25780	1.1
71.38942	1.0
71.43893	1.9
83.15886	1.0
94.93020	5.3
104.31868	1.2
112.89612	14.9
112.90298	1.8
114.89361	3.8
116.89093	2.1
136.94044	3.2
141.78018	1.0
156.04192	5.5
157.04607	1.5
176.93533	1.6
212.85185	3.8
214.85002	3.7
215.41801	1.1
244.89957	1.5
250.76724	1.1
262.90302	5.4
265.74258	1.2
268.98279	100.0
292.92999	1.1
306.93887	2.0
324.85309	5.1
329.35345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.1
67.05502	2.1
67.36232	1.4
69.03417	7.1
69.07053	2.6
69.27592	12.0
69.28020	5.2
70.41907	1.3
74.95217	1.2
79.05487	3.5
81.07075	7.0
83.04992	8.0
83.08609	1.7
84.04508	2.6
85.06564	1.6
91.05488	3.6
93.07059	6.4
95.08614	8.9
97.02898	9.1
98.21466	2.9
105.07033	12.9
107.08638	8.5
109.06546	5.5
109.10154	3.0
111.04451	4.5
111.08090	2.9
113.06021	3.0
117.07052	1.7
119.08594	22.8
121.10146	7.9
123.08046	8.3
123.11775	2.7
125.09640	85.4
126.05580	3.2
126.10010	2.4
128.06236	1.6
133.10146	20.7
135.11714	2.5
136.25186	1.5
137.05925	2.1
137.09599	1.8
138.05527	6.8
143.08563	4.5
144.12379	1.6
145.10167	6.1
147.04430	1.9
147.08090	11.2
149.09631	2.3
150.85986	1.5
151.11191	1.8
157.10132	3.0
159.11729	3.8
161.09593	11.8
163.11241	5.8
165.09134	14.8
171.11674	1.7
173.09587	2.8
173.13278	2.1
175.11179	3.3
179.10683	8.9
186.07669	2.3
189.09116	12.4
191.10753	3.0
204.08676	4.6
205.12132	2.1
207.10158	17.3
225.11211	28.9
225.16359	1.8
267.17316	2.3
271.17001	2.5
285.18576	3.0
295.17023	5.8
313.17960	11.0
331.19064	15.6
349.20108	100.0
350.20511	2.3
367.11462	2.7
367.21423	3.1
374.54199	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62752	1.0
55.01874	1.3
55.05512	2.7
65.25136	0.9
65.58137	0.9
67.05505	4.0
69.03437	4.3
69.07059	4.6
69.40490	8.7
71.04987	1.4
73.06548	3.0
77.25107	1.0
79.05489	3.6
81.07040	6.0
83.04987	5.5
83.08611	1.3
85.06560	1.5
91.05482	4.1
92.37370	0.9
93.07020	4.7
95.04958	5.3
95.08617	8.5
97.02876	1.1
97.06529	1.2
98.21478	2.0
99.04450	1.1
105.07024	6.6
107.04913	1.6
107.08610	10.3
109.06541	2.8
109.10193	2.6
111.04453	3.8
111.08079	1.4
113.06006	3.7
115.05495	1.0
117.07059	2.4
118.80149	1.1
119.08587	14.9
120.18552	0.9
121.06538	2.9
121.10155	8.3
123.08106	7.2
123.11684	1.6
125.05987	1.1
125.09631	7.4
129.06963	1.3
131.08580	4.0
133.06546	1.2
133.10127	10.9
133.68387	1.0
135.08075	3.3
135.11713	4.0
137.09610	2.0
139.07530	2.0
143.08531	2.8
145.10129	6.9
147.08057	3.7
147.11719	4.5
149.09607	4.2
151.07571	1.4
151.11183	1.7
157.10178	6.3
159.08165	1.5
159.11714	7.3
161.09631	6.2
161.13287	2.6
163.11214	3.6
165.09155	3.4
169.10092	2.4
171.11761	3.8
173.13295	3.4
175.11220	4.2
177.12775	2.7
179.10664	2.0
183.11703	3.2
185.13231	2.3
187.11185	1.9
189.09135	4.5
189.12770	1.3
191.10669	4.3
197.13225	1.2
199.14865	2.1
201.12730	1.7
203.10698	1.7
203.14293	1.4
207.10211	3.4
217.12216	1.3
219.13802	3.5
225.11110	6.6
225.16348	2.4
227.12660	1.2
227.18027	1.7
229.12167	1.3
237.14847	1.4
239.18048	1.1
243.13916	1.4
243.17548	3.3
245.15570	0.9
249.16507	1.7
251.17923	1.2
253.15897	1.5
256.17853	0.9
257.19019	1.1
261.18423	1.0
267.17554	5.0
270.40161	1.3
271.16992	4.1
275.20050	1.8
277.16171	1.1
285.18518	8.2
287.19986	2.1
295.16968	6.3
303.19351	5.4
313.18054	14.7
331.19086	13.3
335.09097	1.8
349.20108	100.0
350.20453	2.0
366.23093	2.2
366.32205	1.5
367.11551	2.5
367.21161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05502	1.2
59.04984	1.0
67.05489	3.6
69.03441	6.8
69.07044	2.2
70.85865	3.0
79.05490	3.1
81.07063	7.6
83.04971	1.8
85.06514	1.2
91.05488	6.8
93.07034	8.2
95.04972	1.6
95.08634	5.1
97.02901	9.1
97.06521	1.3
105.07028	11.6
107.04972	2.3
107.08592	12.1
109.06503	4.0
109.10148	4.0
111.04442	1.3
111.08089	2.9
117.07015	1.4
119.08581	24.8
121.06498	2.5
121.10136	6.5
123.04349	1.3
123.08076	5.7
123.11722	2.2
125.09631	100.0
133.06435	1.1
133.10130	19.2
135.11671	2.3
137.09624	4.4
138.05472	1.5
142.07690	1.0
143.08586	2.4
145.06462	1.2
145.10109	1.3
147.04382	0.9
147.08046	12.2
149.05980	2.0
151.11221	3.0
157.10066	1.7
159.08122	0.9
161.09618	12.0
163.11255	1.2
165.09120	15.1
166.09460	1.4
175.11069	1.0
179.10658	10.3
189.09129	8.5
201.99831	0.9
207.10164	15.4
225.11221	30.6
232.55666	0.9
237.00514	1.1
245.04504	2.4
271.16928	1.8
285.11758	1.0
289.17969	1.4
313.17987	2.0
322.23978	0.9
331.19080	9.3
335.09042	1.6
337.95425	1.0
349.20068	20.3
366.30219	1.1
367.11707	1.6
367.20990	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	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02531	1.4
51.12563	1.2
53.03938	3.2
54.48715	1.2
55.01870	6.3
55.05512	56.1
57.03431	2.9
59.04992	4.9
61.02900	1.5
65.03936	3.3
67.05503	28.6
69.03431	10.7
69.07059	5.4
69.47365	11.6
69.57224	1.2
70.06599	8.9
71.04996	36.8
79.05489	9.5
81.03423	2.6
81.07055	90.9
83.04980	14.5
85.02429	1.7
85.02906	25.1
85.06527	1.7
86.09697	9.8
88.98956	1.3
91.03982	1.4
91.05473	21.1
93.07043	58.0
93.07631	3.0
95.04970	34.7
95.08626	8.8
97.02901	8.1
97.06529	33.6
99.04431	1.6
105.06380	2.2
105.07030	25.6
107.08594	100.0
108.08907	2.1
108.89368	1.3
109.02864	1.9
109.06506	17.2
109.10154	45.5
111.08045	1.5
113.06014	4.3
116.07098	14.6
119.04978	9.5
119.33672	1.3
120.08069	5.0
121.10107	2.8
123.08067	13.5
123.11703	32.1
127.03916	5.6
131.06964	1.8
133.10132	39.4
137.72928	1.2
145.04964	9.0
147.04410	58.0
149.09558	1.2
151.11185	58.2
157.12228	2.3
163.06021	4.5
165.05435	1.6
169.12248	24.4
185.12888	1.7
187.13283	14.9
187.39673	1.6
233.16428	2.1
245.10182	1.7
321.00473	1.4
324.12003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
54.31173	3.1
55.01872	4.0
55.05495	3.7
59.04996	13.1
67.05508	6.8
69.03429	25.7
69.07074	6.6
69.81567	18.6
71.04984	11.7
79.05490	5.7
81.07050	37.9
83.08612	6.3
85.02896	14.1
85.06552	9.6
86.09697	6.5
87.04476	13.6
89.03922	6.3
91.05473	16.3
93.07048	84.0
95.04965	5.7
95.08600	6.0
97.02921	4.9
98.20844	5.7
105.07024	23.0
107.08589	22.6
109.06500	6.0
109.10144	20.4
111.08088	59.5
117.03375	27.2
120.08102	7.3
120.08950	3.1
121.06544	5.2
121.10149	5.8
123.08092	4.2
123.11720	25.6
127.03926	4.7
133.10115	26.4
134.91440	2.8
135.04498	3.2
139.10063	2.7
141.12802	3.2
145.02840	59.9
149.05998	7.8
151.11186	55.1
167.58057	3.2
169.12251	89.5
169.13667	5.8
173.04454	13.0
177.05469	100.0
187.13292	52.8
263.09216	5.8
339.24219	3.0
367.10175	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
67.05511	1.1
69.03440	2.1
69.07071	1.2
70.07405	1.1
70.07824	2.9
71.04989	12.6
79.05490	14.4
81.03432	0.8
81.07054	93.0
82.07407	1.3
83.04962	5.1
85.02901	3.6
85.59519	0.6
89.06049	0.9
91.05476	1.9
93.06996	1.3
95.04932	0.8
95.08606	1.1
97.02881	1.2
97.06556	0.9
98.20908	0.9
105.07037	1.1
107.08588	3.0
109.10140	3.1
119.08556	0.8
120.08100	1.4
121.10135	0.9
123.08084	0.8
123.11713	6.2
125.09669	1.1
133.10118	2.5
139.11191	2.8
145.30988	0.7
151.11176	6.6
155.95438	0.7
169.12234	100.0
170.12639	1.6
178.13110	0.6
187.13243	1.3
196.09634	1.1
235.10757	0.9
237.95479	0.7
251.51981	0.6
306.82608	0.6
309.22964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66277	1.2
55.05523	3.6
57.03459	1.9
57.07068	2.2
60.04531	4.4
61.02919	2.6
67.05508	8.4
69.03428	5.6
69.07065	5.3
71.04992	3.6
71.11246	2.7
72.08162	1.9
78.30405	1.2
79.05478	3.1
81.03420	3.2
81.07058	24.6
83.08604	1.4
85.02905	10.0
86.09698	11.2
87.05583	2.2
90.43299	1.4
91.05485	4.3
93.07041	10.5
95.04960	2.8
95.08605	54.4
96.08957	1.3
97.02908	4.8
97.06537	1.3
99.04452	9.1
105.07049	4.5
107.08583	6.2
108.08861	1.4
109.02910	1.7
109.06529	2.8
109.10165	18.3
110.07032	1.6
113.05987	7.8
119.08523	1.8
120.08103	4.6
120.08920	1.7
123.10815	2.7
123.11704	41.6
127.03878	3.4
127.11182	1.5
128.10735	1.9
133.10162	7.2
137.05951	2.8
145.02841	2.5
145.04965	3.3
151.11177	39.2
151.12354	2.6
163.03925	2.2
165.05586	1.4
166.08649	2.0
169.12241	100.0
170.12537	3.2
170.84261	1.5
173.12865	15.6
177.05479	2.9
198.05411	1.3
201.12328	3.5
262.15164	1.7
366.16446	2.3
367.15784	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01871	1.3
55.05505	1.1
56.96570	1.0
57.03419	1.0
57.07058	0.7
59.05016	0.9
60.04522	1.1
61.02921	1.1
65.03941	1.7
67.05491	2.3
69.03423	2.5
69.07059	2.2
70.06584	1.4
71.04993	10.5
71.57716	0.7
71.58119	0.8
72.08157	3.5
74.06078	1.0
79.05063	1.0
79.05495	13.1
81.03409	1.3
81.07055	87.7
82.07391	1.2
83.04977	7.1
83.08617	0.7
84.04493	0.9
84.08147	0.6
85.02899	5.5
85.06542	1.3
86.09718	1.9
87.04472	0.6
89.06004	0.7
91.05477	9.5
93.07034	2.1
95.01338	0.8
95.04964	2.0
95.08614	1.4
95.33216	0.5
97.02881	3.0
97.06518	1.5
101.07121	1.0
105.07021	1.6
107.05009	0.5
107.08591	3.3
109.02933	1.0
109.06529	0.9
109.10155	4.1
110.07160	0.7
111.04411	0.8
113.02361	2.0
113.06036	0.6
116.07101	0.5
119.04945	16.4
119.08572	0.6
120.08109	3.7
121.02860	0.6
121.10132	1.2
123.04485	0.6
123.08084	0.8
123.11709	6.9
125.02376	1.5
125.09612	1.3
127.03907	1.8
127.11154	0.6
129.09145	0.5
129.10199	0.5
133.10127	2.2
136.06189	1.1
136.07596	1.0
137.05975	0.7
139.11180	1.7
143.11801	0.6
144.06555	0.6
145.02861	1.0
145.05002	0.7
147.04410	69.1
148.04762	1.1
151.11197	8.4
159.10239	0.5
162.07640	0.6
163.03923	0.5
165.05476	21.3
169.12241	100.0
170.12604	1.9
173.12827	2.2
177.05545	1.1
185.04442	1.6
187.13289	9.9
188.13527	0.5
196.09674	0.7
201.12317	1.6
203.12656	0.9
216.08818	0.7
221.12759	0.5
227.06532	0.5
366.15012	0.6
367.14182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01871	9.4
55.05501	2.7
57.03432	6.2
60.04526	0.8
61.02936	4.7
67.05490	2.5
68.99780	3.2
69.03429	31.8
69.40196	1.9
69.40604	6.7
70.98906	0.9
71.04999	5.0
72.08144	3.0
73.02921	6.0
79.05454	2.1
81.03418	26.0
81.07067	4.2
81.42194	0.9
83.01353	1.2
83.08616	2.5
85.02908	100.0
86.03244	1.2
86.09704	2.5
87.00833	41.1
87.04471	1.5
91.03951	1.8
91.05476	1.1
92.05798	1.2
93.07034	2.8
94.07360	1.4
95.04942	1.3
95.08610	4.5
96.08934	2.2
97.02894	30.8
98.03259	0.8
99.04459	13.7
103.03938	1.1
105.01869	70.8
105.07033	2.5
106.07352	1.6
107.08608	2.2
108.04465	3.0
109.02883	28.0
109.06577	1.2
109.10181	1.0
110.07145	1.6
111.08054	2.6
113.09632	1.0
115.03932	1.5
117.01837	3.5
117.07008	1.1
119.08548	2.9
120.08070	3.6
120.08900	2.3
121.06526	1.2
123.02876	1.1
123.08089	7.1
124.08404	3.6
125.09656	0.8
127.03925	62.2
128.04256	1.8
129.01843	3.5
132.10211	2.1
133.10135	2.9
134.10497	1.6
135.08063	1.0
136.06197	2.7
137.13226	1.6
139.07579	1.5
141.09058	2.7
144.27827	0.8
145.04964	32.7
147.02885	2.5
147.08022	0.9
151.07535	1.9
159.02898	13.9
159.11278	1.7
161.09599	1.0
164.11510	1.1
180.10194	2.2
189.03976	1.9
193.66631	0.9
207.10074	1.7
208.10382	1.4
209.11803	2.9
213.03923	3.3
226.11549	1.8
229.43057	1.0
230.06577	1.4
231.05038	18.4
244.14174	1.1
248.07700	1.4
249.06084	7.2
269.13879	1.7
295.11871	4.8
313.12717	2.2
366.16254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.037
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32528	0.5
61.85249	0.4
70.60075	1.6
73.29291	0.6
73.58120	0.5
80.72477	0.5
99.02139	0.5
112.51141	0.4
119.01924	2.2
134.76866	0.6
134.99779	0.6
137.02933	2.4
154.03517	0.5
158.99950	0.4
176.02647	0.5
177.00940	9.7
178.01044	1.2
179.00702	0.7
192.98874	0.5
195.01961	0.7
198.55344	0.6
201.07195	1.2
216.99034	0.6
217.04018	0.9
218.03593	0.8
219.02019	13.5
220.02115	0.7
221.01819	1.1
222.97876	1.1
225.00974	1.0
234.99965	7.4
236.00099	0.7
240.98969	1.7
242.03603	0.8
243.02000	1.8
253.01082	3.5
258.99997	15.9
260.00095	1.3
260.04691	0.9
261.00247	1.6
261.03061	37.5
264.99023	2.2
277.01059	28.0
277.05630	0.8
278.01035	2.9
279.00946	4.4
282.99982	35.7
283.06372	1.7
283.97147	0.7
283.99936	2.6
284.04611	2.7
284.99857	0.6
291.99628	0.7
300.02750	0.9
301.01044	100.0
302.01126	6.0
303.00955	1.8
315.00912	1.0
319.02103	10.0
320.02124	1.0
324.02890	3.9
325.00958	6.6
341.02414	0.9
342.01807	5.9
343.02106	46.3
344.02136	3.2
361.03174	21.7
362.03195	1.4
366.03674	2.7
384.03174	3.9
385.03162	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2686
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
51.89223	0.2
55.05507	0.5
57.07069	2.1
63.85530	0.2
67.05502	0.7
69.07048	1.1
71.25118	0.4
74.93326	0.2
79.05490	0.6
81.07057	1.4
83.04974	0.4
83.08624	0.6
85.06535	0.8
91.05466	0.7
93.07031	0.8
95.04939	0.3
95.08593	0.7
101.63570	0.3
105.07018	0.6
107.08595	1.1
109.06509	0.9
109.10136	0.5
109.18494	0.2
110.07339	0.3
111.08097	0.3
117.81731	0.2
119.08566	0.6
121.10148	0.6
123.08067	2.5
123.11732	0.3
124.08829	0.8
126.30457	0.2
131.08488	0.4
133.10139	0.5
135.07997	0.5
135.11681	0.4
137.05989	1.0
137.09605	0.3
139.07593	0.3
145.10141	0.4
147.11671	0.5
151.07541	3.1
152.08313	5.1
159.11710	0.3
161.09619	0.3
161.13235	0.3
165.09111	7.7
165.12743	0.3
166.09859	0.5
175.11243	0.3
175.55898	0.3
177.12733	0.3
179.10684	1.5
194.13016	3.1
207.13837	1.2
235.16939	0.7
249.18478	0.7
263.20132	1.5
264.11514	0.3
271.48193	0.3
305.24783	0.9
310.95969	0.2
319.26385	1.3
337.27206	0.3
347.25809	17.0
348.26147	1.1
365.26865	100.0
366.27219	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	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05514	2.1
57.07075	3.9
61.39330	0.3
62.98277	0.5
63.22021	0.3
67.05503	3.1
69.07066	1.8
70.50925	0.3
70.51265	1.1
77.72952	0.3
78.50764	0.3
78.99361	0.3
79.05513	1.9
81.07064	3.9
81.86903	0.3
83.05003	0.9
83.08624	0.9
83.53633	0.4
85.06547	2.1
89.21478	0.4
90.54086	0.3
91.05492	2.2
93.07047	3.3
95.04964	3.1
95.08612	3.5
97.06552	0.8
105.07024	3.2
107.08607	3.2
109.06532	2.4
109.10172	1.7
117.07039	1.4
119.08584	4.2
121.06509	0.6
121.10146	1.6
123.08074	3.3
123.11732	0.5
124.08881	1.0
128.06255	0.5
129.07024	0.7
130.07788	0.4
131.08562	2.3
133.10124	2.1
135.08067	1.9
135.11726	0.8
137.06026	0.6
137.09624	0.5
139.07561	0.3
142.07823	1.2
143.08530	1.9
145.10103	2.8
147.08076	0.5
147.11708	1.2
149.09607	0.6
149.13358	0.3
149.77856	0.3
151.07567	3.2
151.11232	0.5
152.08344	5.6
155.08594	1.1
156.09380	0.9
157.10146	2.7
159.08092	0.5
159.11707	2.2
161.09679	0.6
161.13292	0.4
164.89450	0.3
165.09116	7.3
165.12883	0.5
166.09866	0.4
167.08580	0.8
169.10185	1.4
170.10910	0.4
171.11687	1.6
173.09677	0.4
173.13292	0.6
175.11331	0.4
179.08586	0.5
179.10713	1.5
181.10155	1.0
181.12227	0.6
182.10944	0.4
183.11755	1.3
185.13231	2.0
187.11223	0.8
187.14896	1.1
189.12723	0.3
193.10110	0.6
194.11180	0.6
194.13110	3.0
195.11656	1.7
197.13332	1.3
199.11113	0.4
199.14986	0.5
203.05318	0.7
203.14500	0.4
207.11713	1.2
207.13852	1.1
208.12498	0.5
209.13203	1.6
211.11382	0.5
213.12778	0.7
219.11847	0.5
221.13359	1.2
222.13893	0.4
223.14880	0.9
225.12750	0.8
227.14453	0.4
233.13261	0.7
235.14841	0.7
236.15808	0.4
237.16449	0.8
249.16382	0.5
249.18607	0.7
251.18123	0.6
255.17393	0.4
261.16278	0.5
263.17819	0.4
263.20248	2.5
265.16061	0.4
281.19199	0.4
289.19635	0.4
291.17368	0.6
299.18054	0.4
306.25159	0.7
319.26511	1.0
347.26016	15.1
348.26334	0.6
365.10876	1.3
365.20721	4.9
365.26981	100.0
366.21088	0.7
366.27289	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2683
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05493	0.9
57.07077	2.4
67.05489	1.0
69.07051	1.1
69.90286	1.7
78.67262	0.2
79.05473	1.0
81.07054	1.7
82.98666	0.3
83.04980	0.5
83.08600	0.5
85.06525	1.1
91.05459	0.9
93.07052	1.4
95.04981	0.4
95.08585	1.4
97.10141	0.3
98.98459	0.3
105.07029	1.1
107.08584	1.3
109.06534	1.3
109.10149	0.7
117.25449	0.3
119.08620	0.6
121.10136	0.8
123.08051	3.3
123.11668	0.4
124.08846	1.2
125.06001	0.3
133.10117	0.9
135.08025	1.2
135.11661	0.5
137.06000	0.8
137.09587	0.4
138.06750	0.3
139.07547	0.4
147.11696	0.5
151.07544	3.6
151.11131	0.4
152.08325	6.4
153.08621	0.3
161.09679	0.3
161.13205	0.4
165.09117	8.6
165.12715	0.4
166.09770	0.8
175.11183	0.3
179.10669	1.7
181.12248	0.5
189.16328	0.4
194.13016	4.0
207.13808	1.7
213.05362	0.5
227.07161	0.5
235.16953	0.9
248.08209	0.3
249.18500	1.1
250.20544	0.3
254.78099	0.3
263.20038	1.7
277.21497	0.5
280.20468	0.3
319.26245	1.3
347.25833	17.4
348.26334	1.5
365.26862	100.0
366.22260	0.5
366.27200	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
50.12239	0.9
53.03952	1.0
55.01870	1.8
55.05513	13.2
57.03431	3.1
57.07077	93.9
59.05002	1.8
65.03941	1.1
67.02147	0.9
67.05504	17.3
69.03431	1.7
69.07072	45.4
69.43906	6.6
69.44321	1.9
71.04987	3.9
71.08641	1.5
71.29388	0.9
73.06551	1.6
79.05499	13.2
79.80949	0.9
81.06588	1.1
81.07059	20.7
83.04985	5.8
83.08627	10.1
85.06546	63.3
91.05482	9.5
93.07047	21.1
95.04965	3.5
95.08608	21.9
95.09225	1.1
97.06534	17.2
97.10180	1.0
105.07034	14.5
107.08596	24.6
109.06522	25.2
109.10160	8.3
111.08092	8.7
111.11700	4.1
114.98707	0.9
115.07547	1.4
119.08575	8.4
121.06489	1.2
121.10135	8.0
123.08073	9.3
123.11721	3.1
125.09615	1.0
129.06963	1.1
131.04942	1.8
131.08574	3.6
133.10138	8.0
135.07207	1.3
135.08060	34.3
135.11699	30.8
137.13252	2.1
145.10106	5.9
147.04352	1.4
147.11667	6.1
149.09607	4.0
149.13226	1.9
151.07550	5.8
151.11157	1.4
153.12743	14.7
157.10094	2.1
159.04430	1.2
159.11743	2.3
161.06142	1.0
161.09647	3.2
161.13268	2.1
163.11169	3.0
165.12744	14.1
167.14337	2.6
171.11702	1.2
171.13773	1.0
173.05980	2.4
175.03889	2.6
175.14815	1.3
176.04704	1.3
177.05428	1.8
177.12766	11.1
179.14365	2.1
181.06468	1.4
181.12247	1.8
189.05545	1.7
189.16411	5.5
190.17039	1.2
191.14252	2.3
193.12241	1.9
195.13792	2.7
199.07561	1.0
199.13242	1.1
201.14760	1.7
203.17978	1.2
205.15887	1.7
211.07599	1.5
213.05492	5.9
217.14377	16.5
225.09055	1.7
236.07277	1.0
237.09056	0.9
241.08606	1.0
263.20065	62.2
264.20535	1.8
279.19669	4.7
281.11609	2.5
281.21170	2.7
291.19540	3.0
309.14908	1.6
319.26257	2.6
321.18463	1.5
329.25024	1.3
337.21384	1.0
337.27466	5.0
347.25827	100.0
348.26144	4.3
349.01822	0.9
350.16940	0.9
365.21103	19.8
365.26831	23.2
366.21375	2.3
386.92599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
53.13168	1.2
55.01882	2.3
55.05512	11.8
57.03427	1.9
57.07076	78.7
59.04976	1.7
67.05511	14.5
69.03419	1.5
69.07071	39.5
70.02345	1.2
70.75599	1.2
71.04996	3.4
71.08607	1.8
71.58324	2.0
73.06566	1.8
76.38457	1.1
79.05492	12.0
81.07053	18.1
83.04971	5.5
83.08611	9.3
85.06543	54.6
91.05494	10.8
93.07047	17.5
95.08611	21.5
97.06532	11.7
105.07039	14.6
107.08600	19.3
108.18454	1.2
109.06510	17.0
109.10157	8.7
111.08054	6.2
111.11729	4.6
112.20294	1.2
117.07021	1.3
119.08588	9.6
121.06474	1.7
121.10168	6.5
123.08054	6.0
123.11721	4.3
129.07082	1.3
131.04955	1.6
131.08548	2.3
133.10170	8.5
133.11031	1.9
135.08049	24.2
135.11693	24.1
137.09647	1.6
137.13269	2.9
139.07503	1.3
143.08617	1.7
145.10130	2.8
147.04420	3.0
147.11676	6.7
149.09622	3.4
149.13284	1.7
151.07561	3.8
151.10992	1.5
153.12726	14.8
159.04439	1.4
159.11714	2.0
161.06053	1.9
161.09604	1.9
161.13255	2.7
163.03928	1.2
163.11185	2.9
165.12788	13.5
167.14417	2.1
173.06059	4.2
173.27089	1.5
175.03886	3.3
175.14775	1.8
176.04555	1.5
177.05484	2.4
177.12762	9.5
179.14374	2.1
181.12248	2.5
185.13248	1.5
189.05484	1.8
189.16322	6.2
191.14259	2.3
193.12315	2.0
195.13905	2.7
195.87070	1.3
201.14806	1.8
203.17838	1.7
205.15901	3.9
213.05414	6.7
215.07118	1.4
217.14339	17.1
239.10683	1.5
241.08611	1.5
263.20074	57.3
264.20374	2.9
267.10352	1.3
279.19455	7.3
281.21082	2.6
291.19522	2.5
319.26114	1.5
321.18631	1.9
323.20099	2.0
329.24683	1.8
337.27316	3.9
347.19580	2.8
347.25806	100.0
348.26102	6.4
365.21069	36.4
365.26834	28.6
366.21393	3.2
366.26904	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2683
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
54.55998	0.8
54.63267	0.6
55.01863	0.7
55.05510	1.8
57.07058	2.0
66.96477	0.6
67.05501	3.1
69.07066	3.8
71.08604	1.5
71.58748	1.0
71.59132	0.7
79.05478	2.0
81.07061	4.2
83.04995	0.9
83.08621	1.2
85.06535	1.6
91.05476	1.5
93.07042	2.3
95.08595	2.9
97.06503	0.7
99.08099	0.9
105.07030	1.6
107.08600	2.9
109.06503	2.1
109.10166	1.5
111.04433	2.5
119.08555	1.2
121.10145	1.3
123.08060	3.8
124.08791	0.9
125.05954	0.9
133.10147	1.1
135.08051	2.2
135.11667	1.4
137.05998	1.3
147.11630	1.0
151.07559	2.9
152.08331	2.7
165.09120	8.6
165.12784	0.8
165.39919	0.7
166.09923	0.8
177.12685	0.6
179.10645	1.7
204.14063	0.8
208.14618	1.5
221.15393	1.5
235.16850	0.8
249.18576	1.0
263.20120	7.7
305.24698	9.8
319.26114	3.8
332.98297	0.7
347.25827	41.8
348.26312	2.3
349.87979	0.8
365.26874	100.0
366.27225	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	365.2684
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
53.47099	0.3
55.01877	0.7
55.05275	0.4
55.05505	2.4
57.07074	1.4
67.05511	2.1
69.07071	3.3
69.81142	0.5
69.81547	0.9
71.04982	0.4
71.08626	1.2
79.05489	1.4
81.07057	3.0
83.04999	0.5
83.08620	1.0
85.06556	1.2
91.05474	1.0
93.07038	2.5
95.04972	0.3
95.08611	3.0
97.06522	1.2
99.08096	0.5
103.43295	0.3
105.06369	0.3
105.07021	1.3
107.08606	2.6
109.06491	2.0
109.10163	1.2
111.04431	2.0
111.08103	0.7
119.08553	1.4
121.06535	0.5
121.10142	1.0
123.08060	3.9
123.11675	0.3
124.08868	0.9
125.05988	1.4
133.10149	0.9
135.08052	1.8
135.11673	1.9
137.05974	1.6
137.09610	0.4
139.07529	0.4
143.55788	0.3
145.10130	0.9
147.11722	0.9
149.09616	0.5
149.13257	0.6
151.07504	2.6
152.08350	2.6
153.12723	0.4
161.09576	0.4
161.13411	0.3
163.11154	0.6
165.09109	10.8
165.12781	1.0
166.09862	0.6
175.11188	0.4
177.09140	0.7
177.12793	0.4
179.09286	0.3
179.10666	1.5
179.14340	0.8
181.12274	0.9
191.10669	0.5
193.12263	1.0
195.13788	1.1
205.15974	0.4
207.13837	0.4
208.14543	1.6
219.13783	0.4
221.15446	1.6
221.19016	0.6
232.56902	0.3
235.16954	0.5
235.20671	0.4
249.18529	0.8
263.20120	0.6
271.58588	0.3
291.19470	0.5
292.18680	0.3
305.24738	10.8
306.25052	0.5
319.26321	5.0
337.27332	0.5
347.25806	44.2
348.26105	2.7
365.26865	100.0
366.27209	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01865	1.8
55.05517	9.1
56.61821	1.2
57.07063	4.1
59.04966	1.6
65.03933	2.2
67.05510	15.7
69.03423	4.3
69.07075	6.4
69.30971	13.6
71.04964	1.5
77.03881	1.1
79.05499	13.2
81.07072	14.0
83.04964	3.9
83.08618	3.6
84.98636	1.2
85.06550	3.6
91.05482	20.5
93.07057	27.0
94.07386	1.3
95.04980	34.0
95.08617	23.2
97.06519	4.3
105.07043	35.9
107.04965	1.4
107.08600	21.6
109.06516	6.9
109.10152	11.1
115.05423	2.8
117.07012	8.8
119.08594	38.8
121.06499	4.9
121.10155	10.7
123.05331	1.1
123.08091	6.4
123.11713	2.4
125.09586	1.5
128.06218	6.6
129.07034	10.7
130.07819	3.2
131.08580	19.4
133.10143	14.1
135.08055	10.6
135.11734	7.3
137.09618	2.3
139.11252	1.3
141.07002	3.7
142.07782	13.9
143.08575	32.3
144.09421	6.0
145.09042	2.2
145.10130	28.5
146.10471	1.8
147.08075	6.0
147.11722	5.6
149.09630	2.7
149.13220	1.4
151.07552	1.7
153.06987	2.1
154.07803	2.0
155.08553	13.0
156.09366	12.3
157.10144	51.9
158.10832	3.7
159.08067	3.9
159.11696	23.3
160.11961	1.4
161.09627	5.3
161.13272	5.5
163.11307	1.3
165.07002	4.2
167.08577	4.8
168.09271	3.3
169.10152	15.0
170.10921	8.5
171.11681	15.6
172.08807	2.8
172.12517	3.0
173.09656	5.3
173.13297	9.8
175.11183	4.4
177.12874	1.4
179.08545	6.9
180.09322	3.9
181.10117	11.0
182.10938	4.2
183.11707	20.9
184.12422	3.6
185.09683	2.0
185.13268	47.6
186.10338	1.2
186.13791	2.2
187.11183	8.8
187.14830	10.6
189.12791	3.7
191.08531	1.8
191.14339	2.7
192.09364	3.2
193.10143	12.5
194.11005	7.2
195.11691	22.2
196.12416	5.5
197.13277	16.5
198.13956	2.0
199.11162	3.4
199.14813	6.2
201.12749	2.1
203.14377	2.3
205.10225	2.5
205.15894	5.2
206.10918	4.2
207.11702	12.6
208.12457	7.0
209.13257	15.7
210.13994	3.2
211.11165	3.0
211.14832	9.3
212.15532	1.4
213.12697	7.7
213.16394	1.9
215.14374	1.5
217.10135	1.9
217.15923	1.7
218.10909	3.4
219.11749	6.1
220.12422	4.7
221.13292	14.8
222.14052	5.5
223.14835	15.5
224.11787	1.6
224.15518	2.4
225.12720	3.6
225.16298	4.3
227.14291	3.0
229.15994	1.6
231.11641	2.7
232.12415	2.8
233.13280	8.2
234.13971	4.6
235.14854	9.8
236.15573	3.6
237.12762	3.4
237.16393	9.1
238.17151	3.6
239.14293	4.7
239.18004	2.4
241.15927	3.1
245.13280	3.2
247.14810	6.7
247.16931	1.3
248.15616	3.8
249.12973	1.4
249.14009	1.4
249.16383	10.3
250.17116	2.2
251.17970	8.9
254.16531	1.5
255.17430	3.3
256.18127	1.6
258.14035	1.8
259.14798	3.4
260.15546	1.4
261.12732	1.8
261.16464	3.1
262.17142	1.5
263.14282	2.0
263.17947	8.8
264.15103	1.3
264.18524	2.2
265.15836	3.3
265.19467	3.5
267.17493	4.2
269.19046	4.7
273.16379	4.8
275.17947	1.4
277.16095	2.8
277.19424	2.7
279.17545	1.3
281.19052	5.0
282.19751	1.9
289.19531	4.5
291.17413	4.1
299.18149	2.1
305.19147	1.7
307.20804	2.9
309.18460	5.0
314.20322	2.5
317.19183	2.0
319.24210	4.7
329.22687	4.1
332.21216	2.1
337.25397	2.6
347.23654	31.6
348.24219	3.0
365.24762	100.0
366.25156	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	365.2472
Annotation	Quinestrol
Peak:m/z	Relative Intensity
53.03963	3.8
54.95007	2.5
55.01892	2.5
55.05513	13.8
57.03429	2.8
57.07065	7.2
59.04984	4.6
61.02919	8.8
67.05503	32.0
69.03419	5.9
69.07073	12.5
71.04985	3.6
79.05109	2.9
79.05498	24.3
81.07062	33.3
83.04977	5.6
83.08605	6.2
83.66862	2.6
84.04507	3.5
85.02896	5.3
85.06527	3.9
91.03979	3.7
91.05482	30.9
93.07053	43.4
95.04963	32.0
95.08605	26.7
96.08866	2.3
97.02866	6.2
97.06532	5.5
98.20608	2.5
99.08092	3.0
105.07023	43.7
105.85974	2.5
107.08588	25.4
109.06512	7.0
109.10162	20.7
115.05453	4.0
117.07007	11.6
119.08582	40.1
121.06513	6.5
121.10142	31.1
123.08058	4.5
123.11745	4.4
128.06180	4.7
129.06989	8.4
130.07755	5.7
131.08569	32.6
133.10185	17.4
135.08032	10.3
135.11716	6.6
141.07001	6.1
142.07770	10.9
143.08594	20.1
144.09315	3.8
145.10133	27.8
147.08032	7.4
147.11682	14.5
149.09598	8.3
149.13223	2.9
153.07031	3.4
155.08513	9.6
156.09322	8.5
157.10118	27.9
158.10847	4.0
159.08064	5.4
159.11713	17.9
161.09624	10.5
161.13275	6.0
163.98746	4.8
164.98444	3.5
165.07018	5.0
165.80600	2.6
165.87242	2.7
167.08588	6.7
168.09358	7.9
169.10101	17.2
170.10857	4.1
171.11664	18.8
172.12515	3.0
173.09610	8.9
173.13271	35.2
175.11240	6.8
175.14790	3.4
176.98376	2.8
179.08549	7.5
179.14217	3.1
180.09319	5.8
181.10097	9.3
181.11589	3.0
182.10817	6.2
183.11638	20.5
184.12564	2.8
185.13245	9.5
186.96841	3.2
187.11261	5.7
189.12811	4.9
191.14317	26.0
193.10115	11.6
194.10890	4.4
195.11676	15.7
196.12442	6.3
197.13295	9.9
198.14070	3.5
199.11295	5.1
199.14854	7.8
201.12717	11.5
203.05260	2.9
203.14268	4.0
204.08684	7.9
206.10762	4.9
207.11765	13.3
208.12457	5.1
209.13255	16.2
211.11130	3.4
211.14850	9.9
213.12677	4.3
215.14345	4.3
215.99461	2.9
216.15134	4.8
217.10114	3.2
217.15909	3.8
219.11574	4.2
220.12306	3.1
221.13316	13.6
223.11217	3.8
223.14786	10.9
225.12677	7.3
227.14328	5.5
229.15877	3.9
232.12451	3.9
233.13278	8.6
235.14816	4.9
237.16240	5.7
239.14377	3.4
241.15869	3.0
247.14804	3.8
248.15514	4.2
249.16389	9.8
251.14420	3.2
251.18042	5.0
253.15895	3.8
263.17978	9.8
264.18509	2.9
265.15924	3.2
265.19366	3.7
267.17429	6.0
273.22159	3.5
277.15900	3.8
281.19006	5.8
282.19778	3.7
291.17310	4.5
297.18472	3.6
307.20480	3.5
329.22479	2.9
344.06784	2.6
347.23755	28.0
348.23926	4.2
365.10535	4.8
365.24722	100.0
366.25177	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	365.2325
Annotation	Lineolon
Peak:m/z	Relative Intensity
53.03931	2.2
55.01856	6.5
55.05516	29.1
56.96556	8.0
57.03171	2.4
57.03435	14.3
59.04990	2.1
64.94560	1.7
65.03931	2.4
67.05170	2.4
67.05502	35.0
69.03436	13.4
69.07069	41.3
71.04984	4.0
71.59821	2.7
73.02893	2.2
79.05064	2.0
79.05495	28.1
81.03404	8.0
81.07059	28.6
83.04967	7.6
83.08615	10.1
85.02909	3.0
87.49107	1.8
91.05479	20.5
93.07053	25.4
95.04974	14.0
95.08602	19.6
97.02899	19.0
97.06518	5.8
97.10167	17.3
98.97579	3.9
105.07032	22.4
107.04939	8.1
107.08586	23.3
109.02893	2.0
109.06516	6.5
109.10169	15.1
111.04432	2.8
111.08052	2.6
116.98645	4.4
117.07042	8.7
119.08578	17.7
121.06499	3.0
121.10167	8.5
123.04399	2.2
123.08066	5.2
123.11717	2.2
125.09634	15.4
127.03873	2.7
127.07556	1.8
129.06987	4.3
131.08554	8.1
133.06528	2.9
133.10143	11.8
134.10536	1.8
135.08029	4.4
135.11691	6.4
137.09634	4.0
143.08537	4.5
145.10095	7.1
146.99619	2.7
147.08070	4.1
147.11678	5.5
149.01215	5.0
149.13217	2.3
153.09082	1.9
157.10095	5.2
159.08073	2.4
159.11703	5.7
161.02930	2.2
161.09592	6.5
163.11212	2.3
165.09113	4.7
167.02213	2.3
171.10234	2.1
171.11691	5.0
173.09627	2.4
173.11774	2.9
173.13228	1.9
175.11145	3.2
175.14780	2.8
177.12753	2.8
177.70914	1.9
187.14793	2.0
189.11189	9.0
189.16240	2.2
195.13837	2.3
197.13190	2.5
205.12263	3.4
223.13281	34.0
249.14960	1.8
253.32298	2.0
263.20187	2.7
273.18491	12.7
284.12772	15.0
284.62997	4.5
285.10019	5.4
291.19556	100.0
291.22836	4.7
331.19357	3.9
353.18875	2.1
353.69034	2.9
365.10483	4.6
365.15323	15.1
365.23206	68.0
365.32187	7.3
365.65442	3.7
384.69846	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01861	6.0
55.05510	12.4
56.96556	3.0
57.03144	2.7
57.03433	54.7
57.07068	2.5
65.03940	2.4
67.05502	57.4
69.03413	6.6
69.07068	15.6
70.73543	2.2
70.73920	2.5
71.04998	6.8
71.27236	1.2
79.05490	28.2
81.03398	2.6
81.07053	31.2
81.58156	1.2
83.04974	5.6
83.08610	7.5
85.02887	3.3
85.06542	41.3
91.05478	23.4
93.07036	28.7
93.87790	1.2
94.96258	1.3
95.04963	60.7
95.08604	20.9
97.02908	2.5
97.06522	5.7
97.10151	2.7
98.97622	1.4
99.04421	1.7
99.08086	2.0
105.07023	22.0
107.04965	9.6
107.08586	22.1
109.02879	1.7
109.06513	51.6
109.10156	9.6
111.04445	2.8
111.08083	4.5
113.06001	100.0
115.05476	2.6
117.07019	11.5
119.08576	16.6
121.06510	6.0
121.10165	7.6
123.04432	1.8
123.08080	4.9
123.11671	1.7
125.09638	3.1
127.03931	1.8
127.07564	4.9
128.06293	1.9
128.93045	1.4
129.06979	7.0
130.07756	1.4
131.04967	1.6
131.08577	17.7
133.06500	3.5
133.10133	11.9
135.08051	37.9
135.11647	9.4
137.05876	2.5
137.09671	3.1
139.07553	1.5
142.07811	2.1
143.08524	7.4
145.06505	3.0
145.10133	11.7
147.08032	5.2
147.11668	8.2
149.09601	4.6
149.13283	4.6
155.08496	2.1
157.06427	1.5
157.10127	7.7
159.04495	1.4
159.08101	3.1
159.11699	8.2
161.06091	1.6
161.09613	8.7
161.13243	2.3
163.03943	1.9
163.11153	4.6
165.09097	2.2
165.12737	1.7
169.10117	2.7
171.11679	3.9
173.05951	2.4
173.13257	4.7
175.11201	5.1
175.14798	2.1
177.00723	2.4
177.05536	1.6
177.12692	4.0
183.11703	2.5
185.13286	2.1
189.12708	2.0
189.16382	4.1
193.12137	1.6
195.11676	1.8
195.13649	1.6
197.08078	1.8
199.14801	4.5
201.12790	3.5
205.08377	2.9
205.15968	7.4
217.15878	16.8
219.13809	1.7
223.13277	3.7
227.17958	2.6
233.15405	3.1
237.16365	2.1
245.19107	2.6
255.17535	1.9
263.20163	1.4
271.05075	2.5
273.18497	30.3
291.19525	59.6
302.59454	1.5
347.22189	2.0
365.10553	2.1
365.23334	54.3
365.31369	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62245	1.0
53.03946	4.3
55.01878	7.9
55.05513	26.5
57.03447	11.9
59.05001	1.1
65.03949	1.8
67.05508	36.6
69.03427	16.1
69.05563	0.9
69.07071	40.1
71.04990	3.9
71.59891	1.6
71.60285	1.3
73.85628	1.0
79.05497	27.2
81.03426	6.8
81.07059	27.0
83.04984	16.0
83.08624	12.2
85.02903	3.9
85.06551	2.8
87.04394	1.0
91.05486	21.4
93.07054	20.8
95.01375	1.2
95.04977	11.3
95.08613	17.2
97.02901	16.7
97.06559	5.8
97.10176	15.3
99.04445	1.5
105.07034	18.2
107.04975	8.6
107.08602	18.9
109.02886	1.7
109.06505	5.9
109.10172	14.8
110.48758	0.9
111.04462	8.9
111.08079	3.8
115.05422	1.7
117.07030	7.5
119.04935	1.3
119.08572	14.7
121.06522	4.0
121.10158	9.2
123.04420	1.7
123.08067	5.4
123.11703	1.9
125.06031	1.6
125.09634	13.0
127.03948	3.4
128.06235	1.4
129.07007	5.1
131.08582	7.8
133.06511	3.8
133.10127	12.5
135.08046	6.1
135.11707	3.6
137.05994	2.0
137.09636	3.8
141.06999	1.1
143.08574	4.4
143.10664	1.2
145.02882	1.4
145.10181	5.8
147.08049	5.7
147.11702	4.2
149.05998	1.7
149.09615	3.7
149.13269	2.4
151.07542	1.9
151.11183	3.4
153.09103	2.0
157.10168	2.8
159.08096	2.1
159.11725	2.9
161.09648	3.6
161.13249	2.7
163.11229	2.8
165.09126	3.1
169.10052	1.4
171.08008	1.1
171.10202	1.2
171.11754	3.1
173.11894	1.1
173.13330	2.7
175.11250	2.9
175.14909	2.0
177.05472	2.7
177.09102	0.9
177.12814	1.9
179.10777	1.4
183.10080	1.1
183.11665	1.1
185.13322	1.7
187.14851	2.3
189.11238	8.1
189.12753	1.9
195.13881	2.3
197.13280	1.3
201.04005	1.0
205.12329	2.7
213.16504	1.7
217.16026	1.4
223.13309	29.6
227.12796	1.3
227.18054	2.6
245.19067	3.2
249.14822	1.2
253.14478	1.3
255.08768	1.1
255.17557	2.0
263.20193	1.9
273.18484	18.6
291.19559	100.0
292.19913	2.0
309.20905	1.3
347.22217	2.9
365.17480	3.7
365.23300	62.8
365.31897	7.6
366.23877	1.3
367.92587	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01861	6.0
55.05510	12.4
56.96556	3.0
57.03144	2.7
57.03433	54.7
57.07068	2.5
65.03940	2.4
67.05502	57.4
69.03413	6.6
69.07068	15.6
70.73543	2.2
70.73920	2.5
71.04998	6.8
71.27236	1.2
79.05490	28.2
81.03398	2.6
81.07053	31.2
81.58156	1.2
83.04974	5.6
83.08610	7.5
85.02887	3.3
85.06542	41.3
91.05478	23.4
93.07036	28.7
93.87790	1.2
94.96258	1.3
95.04963	60.7
95.08604	20.9
97.02908	2.5
97.06522	5.7
97.10151	2.7
98.97622	1.4
99.04421	1.7
99.08086	2.0
105.07023	22.0
107.04965	9.6
107.08586	22.1
109.02879	1.7
109.06513	51.6
109.10156	9.6
111.04445	2.8
111.08083	4.5
113.06001	100.0
115.05476	2.6
117.07019	11.5
119.08576	16.6
121.06510	6.0
121.10165	7.6
123.04432	1.8
123.08080	4.9
123.11671	1.7
125.09638	3.1
127.03931	1.8
127.07564	4.9
128.06293	1.9
128.93045	1.4
129.06979	7.0
130.07756	1.4
131.04967	1.6
131.08577	17.7
133.06500	3.5
133.10133	11.9
135.08051	37.9
135.11647	9.4
137.05876	2.5
137.09671	3.1
139.07553	1.5
142.07811	2.1
143.08524	7.4
145.06505	3.0
145.10133	11.7
147.08032	5.2
147.11668	8.2
149.09601	4.6
149.13283	4.6
155.08496	2.1
157.06427	1.5
157.10127	7.7
159.04495	1.4
159.08101	3.1
159.11699	8.2
161.06091	1.6
161.09613	8.7
161.13243	2.3
163.03943	1.9
163.11153	4.6
165.09097	2.2
165.12737	1.7
169.10117	2.7
171.11679	3.9
173.05951	2.4
173.13257	4.7
175.11201	5.1
175.14798	2.1
177.00723	2.4
177.05536	1.6
177.12692	4.0
183.11703	2.5
185.13286	2.1
189.12708	2.0
189.16382	4.1
193.12137	1.6
195.11676	1.8
195.13649	1.6
197.08078	1.8
199.14801	4.5
201.12790	3.5
205.08377	2.9
205.15968	7.4
217.15878	16.8
219.13809	1.7
223.13277	3.7
227.17958	2.6
233.15405	3.1
237.16365	2.1
245.19107	2.6
255.17535	1.9
263.20163	1.4
271.05075	2.5
273.18497	30.3
291.19525	59.6
302.59454	1.5
347.22189	2.0
365.10553	2.1
365.23334	54.3
365.31369	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Cespihypotin N
Peak:m/z	Relative Intensity
53.03949	2.5
55.01854	5.9
55.05267	2.0
55.05513	30.2
56.96570	1.7
57.03435	12.5
59.04988	1.7
65.03927	1.4
65.48044	1.4
67.05502	36.7
69.03430	13.4
69.07067	48.6
70.34285	3.0
70.34681	3.1
71.03176	1.2
71.04980	3.5
76.23113	1.2
79.05489	29.1
81.03400	5.6
81.07055	31.7
83.04987	7.6
83.08626	11.2
85.02881	1.8
85.06561	1.6
86.49722	1.3
91.04962	1.9
91.05484	21.5
93.06466	1.8
93.07038	21.8
95.04958	10.0
95.08053	1.8
95.08611	21.4
97.02895	18.3
97.06520	4.6
97.10168	20.2
103.05460	1.5
105.07024	28.6
107.04945	7.3
107.08600	20.9
109.02859	1.2
109.04877	1.2
109.06505	3.6
109.10150	17.1
111.08081	2.1
115.05432	2.7
117.07011	8.2
119.08579	22.9
120.15561	1.2
121.06521	2.9
121.10144	9.8
123.04427	2.1
123.08054	5.3
123.11708	3.5
125.09618	15.9
128.06239	1.4
129.06963	3.7
131.04924	2.6
131.08546	8.3
133.06512	1.8
133.10139	14.3
135.08040	5.9
135.11667	3.4
137.05986	1.6
137.09616	5.4
137.13269	1.8
143.08540	3.5
145.06483	1.9
145.10074	7.5
147.04425	4.2
147.08034	5.4
147.11682	11.9
149.09619	2.6
149.13277	3.7
153.09117	1.7
157.10097	1.9
159.04480	2.4
159.11708	5.4
161.05998	3.0
161.09573	3.3
161.13203	2.2
163.03894	1.7
163.07506	1.5
163.11163	2.0
165.09120	2.0
169.10112	2.1
173.06000	6.3
173.11716	2.6
173.13155	2.0
175.03920	4.6
175.11232	3.2
175.14876	2.2
176.04645	2.0
177.05489	4.6
177.12677	2.0
179.08607	2.6
179.10475	1.8
180.78644	1.5
181.06470	3.7
185.06003	1.5
185.13399	1.6
187.07567	2.4
187.11223	1.5
189.05467	3.6
189.09668	1.7
189.11171	9.3
189.16341	11.2
190.17082	1.3
193.12148	2.0
195.07961	1.7
195.13867	2.0
197.05916	2.6
201.16449	1.6
204.18678	1.5
205.12230	3.5
205.15875	5.3
211.07545	1.4
213.05492	9.3
213.08919	1.5
215.06996	1.9
221.09607	1.5
223.07491	2.1
223.13269	36.2
223.15430	2.1
225.09210	1.4
227.06996	2.2
227.12660	2.5
227.17920	1.9
241.08664	1.2
245.19012	2.4
263.20038	1.9
264.63763	1.4
273.18469	12.6
281.11697	2.9
291.19528	100.0
292.19806	4.2
309.14951	1.7
321.18607	2.3
323.20145	3.5
337.21667	3.1
347.20004	4.3
365.10501	1.6
365.22842	42.1
366.21317	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.7
55.01863	1.6
55.05511	4.0
56.96562	1.7
57.03418	2.3
59.97937	0.5
67.05506	6.1
69.03429	1.3
69.07071	4.6
69.52719	4.4
71.04994	1.5
79.05498	4.7
81.03417	1.4
81.07055	6.8
83.04984	1.4
83.08623	3.0
85.02908	1.5
85.06557	1.1
91.05485	4.1
92.98714	0.5
93.07037	4.4
95.04954	2.8
95.08609	4.1
97.02886	0.8
97.06558	1.0
97.10164	0.8
98.97554	1.4
99.04439	0.8
99.08061	0.6
105.07027	4.2
107.04971	1.0
107.08598	4.0
109.02827	0.8
109.06528	3.1
109.10152	2.0
111.04434	1.3
111.08095	1.8
113.06001	1.8
117.06971	1.6
119.08569	3.2
120.93671	0.5
121.06522	0.9
121.10145	2.3
123.04474	0.8
123.08053	2.8
123.11685	0.6
124.08922	1.4
125.09618	0.7
127.07590	0.6
128.06221	0.6
129.07028	0.9
131.08592	1.5
133.10158	2.8
135.08081	1.7
135.11667	1.4
137.06004	0.6
143.08640	0.6
145.10147	2.2
147.08055	0.9
147.11674	0.9
149.05882	0.6
149.09637	2.0
151.11240	0.6
157.10182	0.7
161.09601	1.2
165.09114	0.6
171.11760	0.8
175.11221	1.1
177.00702	0.9
195.09871	0.7
197.08099	1.4
199.14961	0.6
203.06161	0.6
203.10768	0.9
205.15958	0.8
213.06253	0.6
253.03938	1.9
253.14438	0.9
254.04419	0.8
263.58752	0.7
266.09991	0.8
266.60156	1.4
267.10052	0.6
267.14499	0.7
271.04898	4.2
272.05252	1.7
273.18399	2.6
285.15353	0.8
289.05917	1.0
290.06107	0.7
291.19632	4.8
347.22205	1.0
365.23029	100.0
366.23419	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	365.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01867	5.0
55.05515	5.0
57.03439	3.3
67.05503	12.4
69.03428	17.0
69.07051	3.2
69.87955	10.8
71.04990	3.1
71.85572	1.7
72.08157	4.7
79.05492	9.8
81.03418	6.1
81.07060	14.3
83.04993	2.5
83.08617	2.2
85.02913	20.3
85.06550	4.2
86.09687	2.2
87.00831	4.9
91.05489	14.7
93.07053	24.2
95.04987	7.6
95.08611	33.1
97.02892	27.4
97.06555	2.7
99.04479	2.5
105.01881	12.4
105.07031	23.1
107.04971	5.4
107.08601	16.6
109.02900	4.4
109.06525	9.2
109.10181	5.6
111.08050	8.6
113.06000	8.8
117.07022	5.0
119.08576	69.3
120.08130	4.7
121.06538	6.7
121.08442	1.9
121.10136	11.6
123.08072	32.1
123.11769	4.6
125.09674	2.4
127.03932	6.4
127.07589	2.1
129.06996	2.4
131.08583	2.5
133.06532	4.0
133.10135	49.7
133.11078	3.7
135.08124	3.0
135.11705	5.3
137.06021	5.9
137.09631	9.6
139.03960	2.2
142.07782	4.1
143.08528	8.6
143.65929	1.7
144.17029	1.8
145.04971	4.2
145.06523	3.3
145.10172	7.1
147.04517	1.7
147.08052	37.6
147.11691	2.2
149.05980	3.0
151.07541	2.4
151.11206	5.6
157.10146	4.3
159.08095	2.3
161.09653	28.8
163.07547	2.5
163.11212	6.6
165.09114	39.6
166.09543	1.8
169.08597	3.3
170.81244	1.8
171.08070	3.2
173.09683	3.5
177.05568	1.6
179.10680	29.6
185.09625	15.2
185.15430	7.0
187.11015	7.7
189.09100	26.6
199.81355	1.8
201.03758	5.8
201.12488	2.0
203.10704	5.0
206.11583	1.7
207.10167	54.5
207.12059	3.1
208.10609	2.2
217.12331	3.4
225.11217	100.0
226.11581	3.8
231.04994	5.1
235.13408	3.2
247.10797	1.8
279.22015	2.0
283.16974	2.6
287.10257	2.3
311.16428	3.1
347.12506	3.8
347.18683	4.0
365.15820	90.8
366.16397	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	365.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01869	3.0
55.05508	5.5
57.03437	3.4
57.07077	1.5
60.85755	1.3
65.03932	2.1
67.05509	15.7
69.03433	13.5
69.07072	5.4
71.04990	2.0
71.60256	1.8
79.05505	8.6
81.03394	3.7
81.07056	19.2
83.04961	1.8
83.08600	1.7
85.02898	14.4
87.00838	4.3
87.12675	1.4
91.05498	13.8
93.07047	26.0
94.07394	1.4
95.04967	7.6
95.08616	56.0
97.02911	19.8
97.06535	2.0
99.04500	1.7
99.08041	1.5
105.01873	8.7
105.07032	28.4
105.07685	2.4
107.04973	4.5
107.08607	18.6
108.05743	7.4
109.02887	4.0
109.06541	8.3
109.10164	9.6
111.04480	4.3
111.08077	7.6
113.06024	2.5
113.09629	2.4
115.05515	1.8
115.83343	1.3
117.07017	6.3
119.04972	4.2
119.08582	54.4
120.08131	2.4
120.08926	1.8
121.06528	8.4
121.10147	9.7
123.04435	3.0
123.08073	100.0
123.11721	4.8
124.08450	2.0
127.03925	6.1
127.07502	1.7
128.06258	2.1
129.07010	2.0
131.08575	4.9
133.06572	1.4
133.10139	39.7
135.08047	8.2
135.11700	6.7
137.05969	3.5
137.09613	6.1
139.03914	2.0
139.07504	1.8
141.07170	1.7
141.09120	16.6
142.07771	2.7
143.08559	10.5
145.04999	3.2
145.06502	2.9
145.10143	9.6
147.04390	4.6
147.08046	25.2
147.11736	3.1
149.05997	1.8
149.09662	3.3
151.07561	2.0
151.11194	4.6
153.09013	1.5
155.08604	2.5
157.10138	5.0
159.08089	3.2
159.11714	5.3
161.09624	22.1
161.13293	1.8
163.07578	6.3
163.11209	4.9
165.09114	25.9
167.10616	1.7
169.10143	2.4
170.10941	1.5
171.08081	1.6
171.11731	4.1
173.09674	2.6
173.13358	2.2
175.11188	1.7
177.09109	5.0
179.10681	21.3
181.10007	1.7
181.65141	1.3
183.11734	2.4
185.09651	3.0
185.13295	3.6
187.07491	2.0
189.09102	19.4
189.12801	1.6
189.16399	4.0
191.10651	1.8
195.10207	2.0
197.13290	1.8
201.16333	1.8
203.10629	2.1
205.08769	1.9
205.84654	1.4
207.10185	29.4
208.10577	1.8
215.10738	2.1
221.11671	1.7
223.09708	6.2
225.11221	32.2
241.15781	1.9
255.17389	1.6
265.15817	2.3
269.15338	3.5
273.18292	1.8
283.16891	4.4
287.16187	2.1
301.18082	5.2
311.16443	3.8
314.08289	1.6
319.19080	2.4
329.17441	6.1
347.18588	5.9
361.02600	2.6
365.19629	5.3
365.23605	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01858	6.7
55.05510	5.8
57.03438	3.0
59.04995	4.4
61.02919	3.1
65.03947	2.2
67.05506	24.6
69.03076	3.2
69.03430	44.7
69.07060	8.2
71.04980	3.8
73.02905	3.0
75.19455	1.9
79.05482	18.6
81.03419	16.8
81.07058	37.4
83.04969	4.7
85.02902	42.4
85.06539	2.9
86.09689	3.1
87.00826	16.3
91.05472	28.7
93.07044	50.8
95.05002	11.4
95.08605	63.4
95.18674	2.5
97.02894	40.4
97.06507	6.2
98.64767	1.9
99.04446	6.2
105.01867	26.4
105.07028	47.6
107.04932	6.9
107.08595	45.6
108.05708	5.1
109.02888	13.0
109.06512	16.5
109.10158	9.5
111.04446	6.4
111.08073	7.2
113.05991	7.2
113.09628	3.3
117.07011	7.7
119.08576	80.3
121.06528	14.5
121.10159	12.5
123.08067	100.0
123.11700	7.3
125.05957	3.1
127.03915	25.5
128.06224	3.3
129.01859	3.1
129.07001	3.9
130.37259	1.9
131.08562	12.3
133.06551	4.2
133.10130	68.9
134.10432	3.1
135.08057	10.2
135.11699	28.2
136.06204	4.3
137.05946	4.1
137.09596	7.4
139.07454	3.5
141.09096	11.5
142.07797	2.4
143.08580	10.6
145.04999	13.1
145.06468	7.0
145.10118	17.7
147.08038	33.9
147.11647	9.9
149.06029	4.7
149.09618	5.1
151.07584	3.2
151.11177	8.1
153.05461	2.6
155.08537	4.2
156.09322	3.4
156.33723	2.1
157.10136	8.5
159.02902	5.1
159.08075	4.3
159.11708	7.8
161.09621	37.2
163.07538	6.5
163.11197	14.4
165.09113	41.0
165.12709	4.3
169.10146	4.6
171.08063	4.9
171.11626	3.3
172.95290	2.2
173.09616	4.9
173.13203	2.3
175.11179	7.1
177.09042	2.7
177.12756	2.6
179.10687	26.3
183.11569	2.4
185.13293	3.2
187.11197	4.0
189.09093	29.5
189.12762	4.0
191.10646	2.1
193.12239	6.7
199.11267	3.6
201.09267	3.9
201.12709	3.3
207.10156	53.7
215.14215	5.2
217.12225	2.6
223.09515	4.6
225.11188	67.8
229.66971	2.3
231.04976	7.6
231.13878	2.6
232.17024	2.2
243.13860	15.1
246.60715	1.9
261.14813	34.4
283.16943	2.7
293.15463	3.1
301.17914	3.3
305.13684	2.3
311.16339	4.7
319.19122	3.2
329.17450	3.7
347.14883	19.7
347.18515	4.1
365.11850	4.6
365.15903	27.8
365.19916	6.5
366.16440	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	365.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01890	3.2
55.05514	1.2
57.03442	4.0
61.02929	5.1
61.11691	0.6
63.99514	0.6
67.05495	2.2
69.03079	1.1
69.03433	18.1
69.07070	1.0
70.55973	0.6
71.04994	1.5
71.09308	1.4
72.08142	0.8
73.02906	3.2
79.05486	3.2
81.03419	6.4
81.07044	1.8
83.01347	0.7
83.04986	1.7
83.08627	1.0
85.02913	39.9
87.04460	3.6
91.03946	1.8
91.05488	3.7
93.07043	2.6
95.04963	1.3
95.08603	2.4
97.02901	14.0
98.97569	0.6
99.04469	2.8
101.02364	0.7
103.03940	1.0
103.05484	0.9
105.07028	7.0
107.04944	2.3
107.08595	2.0
109.02902	5.6
109.06472	1.2
109.10159	1.2
113.06019	0.8
115.03962	0.7
115.05488	3.3
115.06148	0.7
116.06229	1.2
117.07015	3.6
119.08563	4.2
119.86910	0.7
120.08073	1.1
121.06552	1.4
121.10105	1.2
123.08050	2.6
127.03931	10.4
128.06223	5.3
129.07008	14.6
131.04948	1.6
131.08592	1.3
133.06505	9.3
133.10190	3.4
135.11778	0.7
137.09650	0.6
139.03874	2.2
141.07018	4.7
142.07793	19.7
143.08630	2.8
144.05710	4.2
145.04968	6.6
145.06506	3.7
145.10129	1.1
147.08090	3.6
147.11725	0.8
148.07469	0.8
149.07112	0.8
151.07568	3.1
152.06187	4.9
153.06914	0.9
154.07724	0.7
155.06017	1.1
155.08559	2.1
157.06516	11.0
157.10117	8.7
158.07303	0.7
159.08067	2.4
159.11707	0.9
161.09587	3.4
165.06996	1.9
165.09081	1.8
166.07834	0.9
167.08603	3.1
169.06506	2.4
169.10173	0.9
170.07280	18.2
171.08083	2.7
172.08833	0.9
173.09689	0.6
175.11191	5.7
177.05502	0.9
179.10695	1.8
183.08066	1.0
185.09628	100.0
185.72595	0.6
186.09955	1.3
187.11217	0.9
189.09116	2.6
191.08311	1.0
197.09590	0.7
203.10680	42.2
204.11049	1.0
207.10236	2.8
209.09583	2.4
211.11273	0.6
215.10555	0.8
225.11237	5.5
227.10641	1.2
245.15292	0.9
247.10803	1.5
251.10565	0.8
293.11423	0.6
305.11349	1.5
347.12448	1.9
347.18536	0.9
362.69263	0.6
365.13315	6.1
365.19617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
55.01876	13.9
55.05506	12.6
57.03423	8.2
59.31818	2.0
61.02913	2.9
65.03921	2.7
67.05508	20.2
68.99783	8.3
69.03429	86.4
69.07054	6.8
70.06595	3.7
71.01347	4.1
71.04991	9.2
71.59184	3.2
73.02879	2.0
79.05485	31.2
81.02982	2.9
81.03418	41.8
81.07056	46.0
83.04987	15.8
83.08599	2.4
85.02901	29.6
85.06535	3.0
86.09718	2.8
87.00819	19.0
87.04452	2.0
91.05479	47.2
93.07042	87.0
94.07387	2.6
95.04961	24.3
95.08599	26.5
97.02885	25.2
97.06529	3.3
99.04465	10.2
103.03965	2.2
103.05452	3.3
105.01871	5.7
105.07030	81.2
106.07354	2.0
107.04939	12.1
107.08593	100.0
108.08910	3.4
109.02873	8.9
109.06512	14.6
109.10149	17.9
111.04437	15.3
113.05962	3.2
115.03937	6.9
115.05429	4.0
116.06159	2.0
117.01880	2.8
117.07020	17.5
119.04924	7.6
119.08582	67.4
120.08125	2.2
121.06517	14.2
121.10145	25.1
123.04444	11.9
123.08081	10.9
123.11687	7.0
125.05978	6.7
127.03876	14.0
128.06184	5.5
129.01831	4.5
129.06998	13.1
130.07771	5.4
131.08563	35.7
133.06488	9.7
133.10133	50.2
135.04449	3.3
135.08034	13.5
135.11699	50.7
137.04587	2.1
137.05968	3.9
137.09636	4.4
137.13234	2.3
141.06947	3.3
142.07773	9.1
143.08577	21.8
144.09276	2.8
145.06483	10.9
145.09055	2.9
145.10132	50.9
145.11266	2.8
147.08035	10.0
147.11687	48.6
149.05971	4.5
149.09595	7.3
149.13206	4.8
151.07532	6.5
151.11162	9.9
153.06976	2.2
155.08551	14.6
156.09286	6.8
157.06461	3.8
157.10124	23.4
159.02899	5.1
159.08099	13.3
159.11705	26.7
161.06018	3.2
161.09583	9.1
161.13284	5.9
163.03893	3.3
163.07556	3.5
163.11168	31.9
165.03758	2.9
165.06953	2.1
165.12755	5.5
167.07149	3.9
167.08519	5.0
168.09384	3.3
168.10948	2.2
169.10103	9.5
169.12233	4.6
171.11685	12.6
173.09599	8.2
173.13214	8.3
175.07570	5.0
175.11194	37.5
177.09111	3.3
177.12703	6.0
179.07068	3.1
179.10606	3.0
181.10127	3.1
182.10933	2.8
183.08055	2.4
183.11681	7.9
184.08737	2.1
185.09625	6.5
185.13258	4.2
187.07605	4.8
187.11172	9.5
187.14804	2.6
189.09137	2.4
189.12744	13.5
191.10663	3.5
192.09306	4.8
193.12242	14.6
195.11682	3.1
197.09624	3.8
197.13292	11.2
199.11185	8.4
200.11917	2.2
201.03931	3.6
201.09113	4.5
201.12720	11.2
203.10629	3.4
205.12277	5.7
207.11719	5.7
213.12733	3.8
215.10747	2.1
215.14302	17.1
217.12239	7.5
219.13809	4.9
225.12718	15.6
229.04942	2.3
231.05037	2.1
231.13872	3.1
233.15292	2.7
233.83704	2.4
243.13818	51.0
257.06360	1.9
261.14856	76.7
261.17627	4.1
279.15854	6.9
321.16949	8.2
329.13773	5.2
347.14902	50.0
348.15173	2.8
365.11929	3.2
365.15851	71.0
365.25278	2.6
366.16556	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01860	5.7
55.05510	6.4
56.33984	1.3
57.03426	3.2
57.97055	1.5
65.03931	1.9
66.22484	1.3
67.05495	8.1
68.99770	1.9
69.03428	49.2
69.07062	2.8
71.01340	1.2
71.04994	8.0
79.05498	13.3
81.03418	22.3
81.07056	31.7
83.04990	7.7
85.02898	14.4
85.10159	1.2
86.09702	2.0
87.00833	6.8
87.04482	1.8
91.05475	18.8
93.07041	77.7
95.04972	10.5
95.08601	18.1
97.02904	7.2
97.06554	2.2
98.21446	3.0
99.04456	1.8
103.05479	2.0
105.01878	1.7
105.07031	38.7
107.04967	6.9
107.08595	86.3
109.02859	3.1
109.06502	7.5
109.10136	3.1
111.04444	3.7
113.14741	1.3
115.03915	2.6
117.01982	1.3
117.07027	7.5
119.04918	3.3
119.08590	22.5
121.06522	8.7
121.10126	7.9
123.04460	3.3
123.08068	19.1
125.05978	1.9
127.03906	7.0
128.06210	1.9
129.01823	2.6
129.07013	5.6
130.07753	1.9
131.08563	14.2
133.06471	3.9
133.10135	21.4
135.04488	1.8
135.08058	10.5
135.11687	47.7
137.05984	1.7
139.07578	1.3
139.91469	1.1
141.06996	1.4
142.07800	4.7
143.08559	8.0
145.06473	4.8
145.10120	20.8
147.04395	1.6
147.08047	6.1
147.11676	18.4
149.05984	2.8
149.09598	4.5
149.13277	3.1
151.07559	1.9
151.11176	2.4
153.05396	1.8
155.08554	6.6
156.09322	1.8
157.10118	10.1
159.02901	2.9
159.08078	6.2
159.11646	6.2
161.09628	6.7
163.03865	1.4
163.07518	2.9
163.11186	43.5
165.12781	5.3
167.07179	1.5
167.08505	2.8
167.10762	1.5
169.08659	1.3
169.10020	2.5
171.08124	2.4
171.11739	2.6
173.06018	1.4
173.09605	5.4
173.13228	3.1
175.07538	1.3
175.11195	11.8
177.09067	1.5
177.12775	4.3
179.10654	2.5
181.08638	1.5
181.10074	1.9
183.08044	2.4
185.09615	5.3
185.13290	1.9
187.11177	3.9
189.12747	7.6
191.10669	1.7
191.14302	1.6
193.12267	16.3
197.13266	5.0
199.11180	2.3
201.09079	2.0
201.12793	5.3
203.10625	3.3
205.12254	3.5
215.14313	10.2
217.12288	2.2
219.13829	3.9
225.12788	6.9
231.13722	2.1
233.15413	3.7
243.13832	27.0
261.14853	100.0
262.15106	3.9
283.08215	1.4
285.09491	1.5
321.16904	6.2
329.13864	1.7
347.14874	52.2
365.15967	49.2
366.16129	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1595
Annotation	zeaenol
Peak:m/z	Relative Intensity
53.03938	4.3
55.01860	5.7
55.05510	6.4
56.33984	1.3
57.03426	3.2
57.97055	1.5
65.03931	1.9
66.22484	1.3
67.05495	8.1
68.99770	1.9
69.03428	49.2
69.07062	2.8
71.01340	1.2
71.04994	8.0
79.05498	13.3
81.03418	22.3
81.07056	31.7
83.04990	7.7
85.02898	14.4
85.10159	1.2
86.09702	2.0
87.00833	6.8
87.04482	1.8
91.05475	18.8
93.07041	77.7
95.04972	10.5
95.08601	18.1
97.02904	7.2
97.06554	2.2
98.21446	3.0
99.04456	1.8
103.05479	2.0
105.01878	1.7
105.07031	38.7
107.04967	6.9
107.08595	86.3
109.02859	3.1
109.06502	7.5
109.10136	3.1
111.04444	3.7
113.14741	1.3
115.03915	2.6
117.01982	1.3
117.07027	7.5
119.04918	3.3
119.08590	22.5
121.06522	8.7
121.10126	7.9
123.04460	3.3
123.08068	19.1
125.05978	1.9
127.03906	7.0
128.06210	1.9
129.01823	2.6
129.07013	5.6
130.07753	1.9
131.08563	14.2
133.06471	3.9
133.10135	21.4
135.04488	1.8
135.08058	10.5
135.11687	47.7
137.05984	1.7
139.07578	1.3
139.91469	1.1
141.06996	1.4
142.07800	4.7
143.08559	8.0
145.06473	4.8
145.10120	20.8
147.04395	1.6
147.08047	6.1
147.11676	18.4
149.05984	2.8
149.09598	4.5
149.13277	3.1
151.07559	1.9
151.11176	2.4
153.05396	1.8
155.08554	6.6
156.09322	1.8
157.10118	10.1
159.02901	2.9
159.08078	6.2
159.11646	6.2
161.09628	6.7
163.03865	1.4
163.07518	2.9
163.11186	43.5
165.12781	5.3
167.07179	1.5
167.08505	2.8
167.10762	1.5
169.08659	1.3
169.10020	2.5
171.08124	2.4
171.11739	2.6
173.06018	1.4
173.09605	5.4
173.13228	3.1
175.07538	1.3
175.11195	11.8
177.09067	1.5
177.12775	4.3
179.10654	2.5
181.08638	1.5
181.10074	1.9
183.08044	2.4
185.09615	5.3
185.13290	1.9
187.11177	3.9
189.12747	7.6
191.10669	1.7
191.14302	1.6
193.12267	16.3
197.13266	5.0
199.11180	2.3
201.09079	2.0
201.12793	5.3
203.10625	3.3
205.12254	3.5
215.14313	10.2
217.12288	2.2
219.13829	3.9
225.12788	6.9
231.13722	2.1
233.15413	3.7
243.13832	27.0
261.14853	100.0
262.15106	3.9
283.08215	1.4
285.09491	1.5
321.16904	6.2
329.13864	1.7
347.14874	52.2
365.15967	49.2
366.16129	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49234	2.1
53.03940	7.2
55.01865	13.7
55.05515	15.6
57.03445	5.1
60.80848	2.1
61.02919	5.1
67.05513	15.1
68.99786	7.9
69.03430	100.0
69.07072	13.0
70.71359	7.9
71.04990	28.6
77.03925	3.3
78.97785	2.4
79.05489	24.4
81.03413	33.2
81.07063	24.3
83.01305	7.1
83.04976	7.8
83.08609	5.1
85.02911	20.0
87.00831	21.5
87.93528	2.1
91.05483	41.7
93.06477	3.3
93.07044	52.5
95.01350	4.0
95.04980	20.5
95.08614	15.6
97.02890	27.7
97.06535	5.6
99.08099	4.4
103.05480	3.9
105.01831	3.8
105.07030	53.3
107.04950	36.1
107.08594	45.3
109.06513	15.5
109.10158	15.0
109.51173	2.4
111.04443	4.9
115.03928	8.1
115.05457	5.6
116.06172	2.2
117.01890	3.8
117.07019	20.4
119.04946	10.0
119.07800	3.4
119.08582	40.7
121.06509	21.2
121.10166	20.1
123.04420	9.1
123.08046	13.9
123.11687	4.8
125.06002	3.7
125.09643	5.7
127.03934	4.4
127.07526	2.7
128.06221	8.2
129.01877	4.1
129.07024	13.1
130.07802	7.6
131.04964	4.9
131.08575	28.4
133.06488	14.4
133.10130	33.8
135.04419	19.3
135.08073	21.2
135.11688	20.9
137.05911	5.3
137.09630	6.3
141.06992	4.1
142.07767	8.7
143.08559	16.2
144.09363	3.7
145.06468	15.9
145.10115	35.9
147.08064	21.5
147.11687	19.6
149.05998	7.6
149.09621	9.6
151.11159	8.1
153.09062	10.9
155.08563	9.1
156.09322	4.9
157.06485	3.9
157.10109	14.2
158.07234	2.3
159.02893	9.9
159.08069	15.4
159.11690	21.4
161.09610	10.9
161.13278	8.8
163.03958	2.9
163.07555	23.1
163.11160	12.7
165.12697	11.1
165.58946	2.3
167.08527	5.2
169.06732	2.6
169.10143	3.7
171.08047	16.9
171.11710	6.7
172.08839	2.9
173.06091	5.0
173.09633	34.9
173.13255	5.6
175.07567	10.9
175.11179	20.2
177.09131	8.4
177.12758	22.9
179.10796	2.4
182.10841	4.9
183.08075	4.5
183.11749	5.1
185.09570	5.1
185.13329	3.1
187.07556	3.1
187.11192	16.0
187.14879	3.6
189.09119	13.2
189.12753	16.8
191.06975	7.4
191.10634	6.4
191.14279	4.1
193.12308	7.7
193.69022	2.4
195.08043	2.7
197.13251	9.3
199.11165	4.4
200.11957	2.7
201.03908	4.3
201.09213	3.1
201.12755	11.0
203.10736	2.7
205.08633	3.8
205.12273	20.4
207.10101	3.1
213.12740	3.8
215.14317	18.7
217.12231	3.2
219.13805	10.3
225.12769	8.6
231.13744	5.3
233.15381	15.7
243.13821	52.8
244.14232	2.9
261.14853	90.7
279.15906	7.7
293.09995	2.4
303.16068	4.6
305.13943	2.8
321.16959	7.5
329.13776	2.9
341.38412	2.2
347.14902	49.6
348.15451	2.6
365.15939	62.7
377.68112	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	365.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.8
51.18880	2.2
53.03937	7.5
55.01867	7.5
55.05497	8.5
55.96362	2.1
57.03436	5.0
58.71771	2.4
65.03959	2.9
67.05521	14.3
67.93449	2.2
68.99777	2.9
69.03079	4.7
69.03431	70.6
69.07050	7.4
70.06577	5.2
71.04966	4.1
71.13410	6.8
72.86888	2.3
73.02915	2.4
79.05495	25.2
81.03413	30.2
81.07060	41.0
83.04976	9.7
85.02900	19.5
85.06549	3.0
86.09669	4.7
87.00832	13.1
87.04482	3.1
91.05472	37.6
93.07043	100.0
95.04961	21.3
95.08606	35.5
97.02888	20.3
97.06502	3.7
98.97674	2.1
99.04465	3.6
105.01845	4.2
105.07034	77.1
107.04962	8.6
107.08595	95.4
108.05728	2.7
108.49559	2.4
109.06505	12.0
109.10162	9.1
111.04449	9.5
111.08084	4.4
115.03935	5.8
117.07032	14.9
119.04919	4.2
119.07787	3.9
119.08585	49.3
120.08107	4.3
121.06508	18.1
121.10138	16.9
123.04446	3.4
123.08058	39.9
125.05937	2.4
127.03895	9.4
128.06219	3.2
129.01909	3.5
129.07001	9.3
131.08543	23.1
131.38336	2.3
133.06502	9.4
133.10127	44.8
135.04431	3.4
135.08066	16.6
135.11691	58.9
136.06187	10.4
137.04561	4.2
137.05815	2.7
137.09572	2.8
139.07536	3.1
141.06990	5.6
141.09161	5.0
142.07770	9.0
143.08543	19.0
145.06499	8.8
145.10107	36.9
147.08055	20.5
147.11693	29.3
149.05977	2.9
149.09634	8.7
151.07509	4.6
151.11205	7.9
155.08517	11.3
156.09325	4.2
157.10130	15.6
159.02921	3.0
159.08043	10.8
159.11687	17.5
161.05956	2.9
161.09630	15.4
161.13237	6.7
163.03940	6.4
163.07524	7.3
163.11162	44.3
165.09111	8.8
165.12770	11.9
167.08537	3.3
167.10663	5.1
169.10127	7.1
170.10944	3.9
171.08031	4.7
171.11705	7.4
171.81746	2.8
173.09630	8.7
173.13069	9.1
175.07526	2.8
175.11189	23.2
177.09161	3.8
177.12769	7.1
179.10677	7.4
182.10930	3.1
183.11697	10.6
185.09608	6.5
185.13271	4.4
187.11180	10.6
189.09160	6.3
189.12718	14.7
193.12259	16.3
197.13251	8.9
199.11217	5.6
199.14816	2.6
201.09109	5.7
201.12680	8.3
203.10542	4.3
205.08672	2.9
205.12254	2.8
207.10117	6.1
215.14313	16.9
217.12212	5.5
219.13840	8.9
225.11078	6.7
225.12813	9.0
231.13797	4.3
233.15443	7.9
243.13802	48.2
257.11581	2.6
261.14868	94.3
262.15234	4.0
269.96152	2.6
279.15970	3.7
321.16992	7.3
347.14908	59.2
347.18759	4.3
365.15958	80.6
365.19891	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	365.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.1
55.01867	8.4
55.05504	6.0
55.39724	2.4
57.03419	5.0
57.07072	18.0
57.52666	2.7
60.10071	2.0
60.80352	2.4
61.02927	4.2
65.03938	2.8
67.05500	12.1
68.99791	5.1
69.03081	4.9
69.03431	78.2
69.07056	5.1
69.53806	5.6
69.54214	12.5
71.01357	2.4
71.04967	3.4
79.05481	17.7
81.03424	21.0
81.07033	10.7
83.04975	5.8
85.02904	34.8
87.00829	11.9
91.04966	3.1
91.05479	30.6
93.07049	33.2
95.04963	13.9
95.08618	23.7
97.02887	19.7
99.04462	5.7
103.05455	2.9
105.01873	3.2
105.07022	43.6
107.04950	4.2
107.08598	65.1
109.02892	4.1
109.06508	9.5
109.10163	19.6
111.04421	7.5
111.08109	2.5
114.44878	2.3
115.05451	2.8
117.07024	14.0
119.08579	50.7
121.06476	7.8
121.10151	40.9
123.04445	4.5
123.08053	31.7
123.11700	9.5
125.05981	2.7
127.03928	6.9
128.06270	5.2
129.01868	2.6
129.07024	13.3
130.07739	5.5
131.08577	18.8
133.06500	3.8
133.10135	43.7
135.04413	2.2
135.08034	9.7
135.11690	92.4
136.06189	3.5
137.05952	6.4
137.09633	12.7
141.07014	6.5
141.09076	4.1
142.07764	9.1
143.08537	16.2
144.09323	6.7
145.06525	7.1
145.10120	33.3
147.08110	14.2
147.11685	55.4
147.12794	4.7
148.08821	2.8
149.09677	11.3
151.11209	17.2
153.07002	3.1
155.08565	6.6
156.09346	12.9
157.10147	14.9
158.10907	4.2
159.02905	5.8
159.08043	10.5
159.11700	28.7
161.06126	2.9
161.09604	14.7
161.13280	7.2
162.10368	3.8
163.07542	3.1
163.11179	43.2
165.09131	8.1
165.12782	16.5
167.08536	6.0
168.09309	2.7
169.10147	7.3
170.10843	3.1
171.02943	3.0
171.08080	3.0
171.11710	27.2
172.08894	3.4
172.12459	3.1
173.09631	10.9
173.13243	11.9
175.07542	3.7
175.11185	41.6
177.09135	3.1
177.12759	21.5
179.10677	7.8
180.48734	2.5
182.10980	6.0
183.08112	3.9
183.11717	2.9
183.19815	2.4
185.09595	7.4
185.13239	4.6
186.10373	3.8
187.11180	18.5
189.03906	7.7
189.09102	8.8
189.12766	31.4
190.96304	2.3
191.14304	7.5
193.12253	15.1
195.07988	3.4
197.09607	3.8
197.13239	9.7
198.10220	2.9
199.11186	25.5
200.11929	3.4
201.09084	3.1
201.12752	23.3
203.10619	4.6
205.08611	4.0
205.12212	7.0
207.10175	8.9
207.13747	3.0
210.10410	7.2
213.12749	7.0
215.10707	4.7
215.14275	22.8
217.12245	17.1
219.13823	16.8
225.11116	6.8
225.12878	6.9
231.13858	14.2
231.15961	2.3
233.15385	7.4
243.11278	3.3
243.13803	87.3
261.14862	100.0
279.15939	7.1
289.42154	2.6
297.92297	2.2
303.15933	2.9
305.13821	7.0
321.13416	3.3
326.81787	2.5
329.13751	5.0
347.14923	44.7
347.18509	1.6
348.15375	2.7
365.15982	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
57.03441	0.3
61.02913	0.5
67.05521	0.2
69.03439	1.4
69.75346	0.3
69.75763	0.8
70.06575	0.5
71.04984	0.5
71.17539	0.2
72.08170	0.2
73.02906	0.3
79.05492	0.2
81.03410	0.4
81.07046	0.6
83.04961	0.2
84.04443	0.2
84.08103	0.2
85.02901	3.0
86.09700	0.4
91.05492	0.9
93.07016	0.6
95.08607	0.2
97.02868	0.9
97.47511	0.2
99.04468	0.2
103.05479	0.3
105.07015	0.2
107.04974	0.2
107.08588	0.4
109.02868	0.4
109.10155	0.3
116.07073	0.2
116.85085	0.2
119.08577	0.4
120.08131	0.9
121.06492	0.2
121.10126	0.3
122.10445	0.3
123.11709	0.2
127.03896	0.7
128.06210	2.5
129.07004	5.1
129.10243	0.3
133.10115	0.2
136.19438	0.2
144.85992	0.2
145.04977	0.6
145.06464	0.4
147.04431	0.2
147.08028	0.4
151.11171	0.3
155.06015	0.2
157.06496	2.6
160.05186	0.3
165.03712	0.4
167.10657	0.4
168.11055	0.3
169.12207	0.2
185.05978	0.6
185.11734	0.2
198.09319	0.2
203.07025	100.0
204.07359	3.3
246.95186	0.2
365.15784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97470	0.4
71.60158	0.8
76.22190	0.5
119.01920	1.0
145.03432	0.5
156.04222	3.8
161.02962	1.5
173.02979	0.9
185.02928	1.2
185.04242	17.9
197.02913	1.1
203.05272	45.7
204.05614	0.6
206.16891	0.5
215.04005	0.6
245.05022	4.8
317.19290	0.5
358.53922	0.5
365.10648	100.0
366.11130	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.6
57.18764	0.4
60.28181	0.4
69.72242	2.5
76.05324	0.4
80.16825	0.5
85.02897	0.9
97.02930	0.5
98.97599	0.7
101.00877	1.6
116.98614	0.8
117.37117	0.5
119.01933	5.6
120.41369	0.4
127.03912	0.5
131.01883	2.4
131.12137	0.4
134.63112	0.4
137.02957	1.1
143.01903	2.9
145.03473	1.6
155.01920	1.4
157.03474	1.4
161.02966	5.5
165.67581	0.4
167.01939	1.1
167.67152	0.4
171.05058	1.0
173.02982	3.7
179.01878	0.5
185.02911	4.5
185.04248	15.6
187.04555	0.9
188.97075	0.5
189.05977	0.6
197.03021	2.9
203.05307	38.5
204.05661	0.5
215.04073	1.3
221.04964	0.5
227.04074	1.7
235.03029	0.4
245.05095	14.2
246.05423	0.7
257.05051	0.7
263.01105	0.9
263.06158	3.6
275.06100	1.1
283.56976	0.9
290.49005	0.5
293.07294	0.7
339.29416	0.5
365.10596	100.0
366.11053	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	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08941	0.8
66.77485	0.7
68.88121	0.6
69.23444	0.6
70.33314	3.1
70.33662	0.7
83.47861	0.6
95.17264	0.7
108.02611	0.6
118.10168	0.6
119.01933	1.6
122.17285	0.7
173.02985	1.1
184.15489	0.7
185.02858	1.2
185.04256	11.9
186.45543	0.6
188.96440	0.7
203.05280	28.2
245.04970	3.6
365.10681	100.0
366.11011	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43719	0.8
70.88228	2.8
90.31564	0.9
119.01979	1.6
145.01691	1.0
145.03531	1.0
161.02980	1.4
171.05135	1.6
173.03065	0.9
185.02748	1.6
185.04250	13.7
203.03482	1.2
203.05284	34.6
228.39183	0.9
244.99765	1.2
245.05159	3.6
320.29929	1.1
333.06314	1.2
365.10712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10419	0.9
64.10998	1.0
67.50571	0.9
70.33909	3.6
87.42924	1.1
93.34553	0.9
110.01442	0.8
119.01949	2.5
123.98663	0.9
131.01910	1.5
147.01370	1.0
156.04248	4.3
173.02991	2.1
185.02954	2.2
185.04289	16.8
197.02943	1.5
202.95183	2.4
203.05284	41.2
245.05136	6.6
288.25018	1.0
305.10846	1.4
365.10864	100.0
366.10995	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3206
Annotation	Terminaline
Peak:m/z	Relative Intensity
51.37954	0.4
53.03934	2.0
55.01870	0.7
55.05510	18.5
57.03424	0.4
57.07069	1.7
60.08168	2.6
65.03928	1.6
67.05502	43.2
68.05818	0.8
69.07066	17.3
71.04981	1.3
71.07379	0.6
71.22851	1.1
73.02898	1.8
79.05489	24.9
81.07054	34.6
82.07368	0.8
83.04989	1.1
83.08621	6.3
85.06539	1.4
86.09715	0.6
91.04940	0.4
91.05476	9.4
93.07043	30.7
94.07380	0.5
95.04979	3.2
95.08602	23.8
96.08913	0.6
97.06516	1.1
97.10171	1.9
99.04453	2.1
99.08096	0.8
105.07018	7.2
107.08584	16.5
109.06499	1.4
109.10152	9.1
111.08067	0.7
115.63383	0.4
117.07005	1.4
119.08558	4.8
121.10139	11.2
123.08089	0.8
123.11737	2.4
125.09634	0.6
130.80994	0.5
131.08543	1.9
133.10130	2.8
135.07994	0.6
135.11687	6.5
137.06010	0.6
137.09677	0.5
137.13298	0.5
141.32961	0.5
145.10126	1.5
147.11699	2.8
149.09622	0.4
149.13257	2.8
159.08060	0.5
159.11702	1.1
161.13243	1.3
163.03888	0.7
163.14824	1.4
187.07523	1.0
201.16394	0.8
203.18021	1.0
204.18808	0.9
227.07114	0.7
305.24731	57.7
306.25079	3.8
307.13269	0.8
323.19843	0.6
347.20270	0.6
347.25778	0.7
364.32080	100.0
365.20969	7.1
365.27393	1.1
365.32321	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	364.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01869	0.8
55.05511	16.0
57.03420	0.6
57.07071	1.2
59.05012	0.6
60.08153	2.4
65.03936	1.9
67.05506	36.8
69.06725	1.1
69.07073	16.2
71.04971	1.3
71.32410	1.7
73.02898	1.7
79.05495	22.9
81.07059	32.2
83.04980	1.5
83.08614	5.7
85.06529	1.3
91.05481	9.6
93.07044	27.0
95.04964	2.9
95.08607	21.6
96.33149	0.6
97.06517	1.1
97.10148	2.1
99.04459	1.6
102.87051	0.6
105.07040	7.1
107.07870	0.8
107.08594	15.7
109.06529	1.7
109.10151	7.2
117.07024	0.8
119.08578	4.4
121.10153	9.0
123.08065	1.7
123.11716	1.9
130.72226	0.6
131.08574	1.8
133.10152	3.1
135.08115	0.7
135.11690	6.0
137.09654	0.8
143.08508	0.9
145.10100	1.8
147.11681	2.1
149.13249	2.3
159.11739	1.5
161.13277	0.9
162.71919	0.7
163.14803	1.4
173.33942	0.6
175.14728	0.7
305.24759	52.5
306.25085	3.0
364.32108	100.0
365.10361	0.9
365.23279	3.0
365.32443	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	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74366	0.6
52.43490	0.6
53.03936	1.8
55.05509	1.3
56.35152	0.7
56.96553	0.7
57.03431	1.7
67.05486	2.3
69.03428	2.8
69.07053	1.1
70.06584	2.5
70.53224	2.4
71.04965	0.7
72.08170	0.9
76.66595	0.7
79.05484	5.4
81.03423	3.5
81.07041	3.2
83.04969	0.8
84.04502	1.2
85.02908	2.7
86.09708	1.6
86.56744	0.7
87.58080	0.7
91.05470	9.3
93.07039	100.0
94.07359	1.6
95.04961	3.1
95.08606	2.3
97.02886	2.5
98.20776	0.9
99.04498	0.8
100.11269	0.7
105.04507	0.7
105.07033	5.4
107.04958	1.2
107.08591	5.0
109.06497	1.1
109.10153	1.5
110.07143	5.6
111.08067	1.5
116.07117	0.8
119.08581	3.5
120.08106	2.2
120.08904	0.8
121.10139	41.5
122.10479	0.8
123.08078	1.0
125.09631	1.0
131.04695	0.6
131.08594	1.8
133.10092	1.7
135.11717	1.0
136.06180	38.6
137.04672	0.7
137.09579	0.8
138.05563	1.1
139.11162	0.8
144.05650	0.8
145.05006	1.3
145.06311	0.7
145.10191	1.2
147.04510	0.9
147.11678	0.9
149.09612	39.0
150.09944	1.0
151.11186	1.0
153.05562	0.7
156.07712	0.9
157.10071	1.4
161.09637	0.7
163.03955	1.4
167.10672	34.9
168.11028	1.2
169.61121	0.7
173.23811	0.7
193.12288	1.4
250.11830	0.7
261.14874	1.0
346.18469	1.1
364.19821	15.3
365.10739	1.0
365.20023	1.7
373.11746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74366	0.6
52.43490	0.6
53.03936	1.8
55.05509	1.3
56.35152	0.7
56.96553	0.7
57.03431	1.7
67.05486	2.3
69.03428	2.8
69.07053	1.1
70.06584	2.5
70.53224	2.4
71.04965	0.7
72.08170	0.9
76.66595	0.7
79.05484	5.4
81.03423	3.5
81.07041	3.2
83.04969	0.8
84.04502	1.2
85.02908	2.7
86.09708	1.6
86.56744	0.7
87.58080	0.7
91.05470	9.3
93.07039	100.0
94.07359	1.6
95.04961	3.1
95.08606	2.3
97.02886	2.5
98.20776	0.9
99.04498	0.8
100.11269	0.7
105.04507	0.7
105.07033	5.4
107.04958	1.2
107.08591	5.0
109.06497	1.1
109.10153	1.5
110.07143	5.6
111.08067	1.5
116.07117	0.8
119.08581	3.5
120.08106	2.2
120.08904	0.8
121.10139	41.5
122.10479	0.8
123.08078	1.0
125.09631	1.0
131.04695	0.6
131.08594	1.8
133.10092	1.7
135.11717	1.0
136.06180	38.6
137.04672	0.7
137.09579	0.8
138.05563	1.1
139.11162	0.8
144.05650	0.8
145.05006	1.3
145.06311	0.7
145.10191	1.2
147.04510	0.9
147.11678	0.9
149.09612	39.0
150.09944	1.0
151.11186	1.0
153.05562	0.7
156.07712	0.9
157.10071	1.4
161.09637	0.7
163.03955	1.4
167.10672	34.9
168.11028	1.2
169.61121	0.7
173.23811	0.7
193.12288	1.4
250.11830	0.7
261.14874	1.0
346.18469	1.1
364.19821	15.3
365.10739	1.0
365.20023	1.7
373.11746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05506	1.4
57.03442	6.3
59.05005	1.2
61.02899	1.3
63.20382	1.3
67.05497	2.2
69.03419	5.0
70.20905	3.3
70.21325	2.7
72.08157	15.9
75.04478	14.4
79.05495	9.7
81.03407	2.2
81.07066	7.7
85.02914	14.7
87.04478	2.1
88.05958	1.1
91.05473	12.0
93.07045	95.0
94.07367	1.5
95.04976	3.0
95.08609	5.3
97.02882	5.3
97.06551	2.2
99.04433	1.6
105.07034	7.4
107.08594	4.1
111.08067	12.4
120.08132	1.5
121.10146	100.0
122.10465	2.7
123.08040	3.1
123.11704	4.4
125.05991	3.1
127.03921	1.7
131.08606	2.4
139.11189	19.1
145.04959	2.9
149.09616	12.3
163.03836	2.1
167.10686	42.7
168.10962	1.5
171.14929	4.6
180.08592	1.6
185.11702	1.6
199.14381	3.9
211.50571	1.1
311.14865	1.4
346.25916	1.3
365.16132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.05496	2.5
57.03437	6.5
60.04522	1.0
61.02909	1.9
63.72159	0.8
65.03940	0.8
67.05499	1.4
69.03439	4.7
69.07049	0.9
71.04995	1.4
71.59166	1.2
72.08157	15.0
75.04050	1.0
75.04478	13.7
77.03932	0.9
79.05490	6.9
81.03407	1.6
81.07064	8.7
85.02904	13.1
85.54173	0.7
87.04462	1.6
91.05479	11.4
93.07044	87.5
94.07369	2.0
95.04958	2.6
95.08620	5.5
97.02892	4.5
97.06500	1.2
99.04453	1.1
101.04947	0.9
102.52492	0.8
105.07034	6.4
107.04984	0.9
107.08582	3.2
109.02865	1.2
111.04404	1.0
111.08095	11.5
119.08587	1.3
120.08120	2.9
120.86584	0.7
121.10144	100.0
122.10452	2.5
123.08059	2.0
123.11690	3.3
125.05987	2.7
127.03903	4.3
129.17804	0.7
131.08551	1.9
139.11174	21.6
145.04939	3.2
149.09618	14.7
153.01848	1.8
163.03883	2.2
167.10686	45.4
168.10956	1.2
171.14923	6.9
177.23073	0.9
180.08510	0.8
188.05374	0.9
199.14369	3.8
202.14445	1.1
203.06979	1.1
240.96271	0.8
265.15500	1.2
300.02612	1.4
365.16003	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	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
53.21097	1.9
56.05010	2.2
57.03440	3.5
59.04992	2.0
67.05502	2.7
69.03431	9.6
69.07070	4.1
70.06600	2.8
71.59003	3.4
72.08137	12.0
75.04488	12.9
78.25098	2.1
79.05489	9.7
81.03419	4.7
81.07065	11.5
83.98260	1.8
85.02911	18.7
86.09715	11.4
91.05486	10.8
93.07043	75.4
94.07370	2.3
95.04984	3.4
95.08624	7.7
97.02889	7.9
97.06538	3.2
98.06723	2.9
98.97631	2.5
104.05316	2.4
105.07046	11.0
107.08566	14.2
109.02927	2.8
109.06476	2.8
109.10174	2.4
110.07170	21.9
111.04463	2.7
111.08079	11.0
119.08607	4.0
119.31574	2.1
120.08120	14.0
121.06499	2.1
121.10140	100.0
122.10480	4.6
123.08110	2.4
123.11732	5.4
125.05964	3.9
127.03890	5.2
129.06966	3.5
131.08582	5.2
133.10114	2.9
134.10544	2.3
135.11664	3.2
136.06178	2.5
139.11165	17.8
145.04988	7.8
149.09618	21.1
156.07701	7.6
163.03880	2.6
163.11229	2.4
164.07401	4.4
167.10680	90.7
185.11745	3.1
191.10635	2.1
219.14960	6.8
247.14539	4.1
251.10594	4.5
318.18179	3.3
364.14557	3.1
364.18762	7.2
365.15607	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	364.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.05509	2.8
56.96555	1.6
60.04534	1.3
61.01147	1.1
62.65212	0.9
67.05486	2.8
69.03430	7.0
70.06590	1.7
70.07364	2.0
70.07771	4.2
71.04993	24.0
72.08151	1.2
74.06052	1.0
79.05478	4.4
81.03400	2.3
81.07046	3.5
84.04495	1.3
84.08150	1.2
85.02899	5.4
86.09708	1.9
88.42304	1.0
91.05475	9.2
93.07044	68.3
94.07354	2.4
95.04952	2.3
95.08601	1.7
97.02885	3.6
97.06524	1.1
98.97540	1.1
99.04454	97.1
100.04779	1.8
104.05320	1.8
105.07034	5.1
107.04948	3.8
107.08590	3.7
109.06493	1.2
109.38387	1.0
111.04450	1.0
115.03925	1.2
119.04959	2.1
119.08575	3.9
120.08080	2.5
121.06496	2.0
121.10150	28.5
121.81120	1.0
123.08034	2.0
131.08571	2.2
133.06548	1.1
133.10130	2.7
135.11674	1.1
141.48334	1.0
145.06470	1.1
145.10085	1.9
147.04381	3.0
147.08022	1.9
148.04813	1.1
149.09621	16.9
153.09114	1.4
163.07596	1.2
167.10680	100.0
168.11005	5.4
169.51314	0.9
173.09604	2.9
175.11139	1.3
177.05493	1.4
177.12627	1.3
185.11760	1.1
200.36176	1.3
201.09119	1.2
205.12175	1.5
233.15173	1.2
243.13809	3.6
260.09097	1.5
261.14871	3.9
261.90320	0.9
347.14886	1.8
365.16028	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	363.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	23.6
57.07079	14.9
61.02913	6.8
67.05514	35.8
69.03419	18.3
69.07068	58.5
69.39735	51.6
69.40137	11.1
71.05010	11.3
71.08620	6.2
72.48867	6.2
79.05482	28.0
81.03411	11.9
81.07055	100.0
83.04961	7.0
83.08627	22.5
85.02898	22.1
85.06537	15.4
88.99106	6.3
91.05475	23.8
91.81299	6.2
93.07059	42.0
95.04971	10.4
95.08613	79.1
97.02893	13.9
97.06515	14.3
98.21470	11.7
98.97599	8.2
105.07041	29.4
107.04954	11.1
107.08600	45.0
109.02882	10.9
109.06541	10.3
109.10139	46.0
111.08086	14.6
111.11745	12.0
115.05428	8.0
117.03373	8.9
119.08615	26.9
120.08054	7.4
121.06543	8.6
121.10137	27.8
123.08102	9.4
123.11727	48.2
125.13344	7.6
127.03897	7.0
131.08577	10.6
133.06479	10.2
133.10155	18.0
135.11711	19.3
137.13271	35.5
139.11163	11.7
143.08624	7.9
145.02872	16.2
147.11639	13.1
149.13278	32.5
157.10228	9.2
159.11673	13.0
161.06001	16.8
163.11201	6.9
163.14832	11.4
165.12735	8.0
167.07004	53.1
167.14346	8.6
170.84137	6.3
173.13351	9.6
177.05463	33.3
279.27051	10.8
291.26907	34.0
302.17322	10.4
309.27856	12.2
344.12842	6.9
363.21887	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	363.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91213	2.6
57.07071	4.5
62.18808	2.6
65.49344	2.3
67.05504	5.0
69.07059	4.3
70.51245	3.4
70.51607	9.0
79.05463	2.5
81.07050	8.0
93.07050	3.3
95.08594	7.7
95.86472	2.9
107.08611	4.2
109.06532	13.5
119.08587	3.1
123.08060	24.8
146.65340	2.6
179.14323	78.1
180.14709	4.3
331.26300	4.6
363.28967	100.0
364.29361	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	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
55.05517	5.1
57.03427	0.7
57.07067	2.7
59.04969	0.7
62.06148	0.5
64.10358	0.6
65.22269	0.7
67.05235	0.5
67.05511	6.4
69.07069	10.2
70.28803	2.6
71.04980	0.9
71.08627	1.1
73.06557	0.7
75.19015	0.6
79.05486	3.1
81.07065	12.7
83.08633	4.4
85.06541	1.1
91.05482	2.4
93.07052	6.1
95.04947	1.1
95.08607	8.4
97.06541	2.4
97.10164	0.8
99.08106	1.1
105.07044	3.7
107.08601	7.6
109.06514	8.6
109.10168	4.0
111.08066	2.1
119.08584	4.6
121.10153	4.5
122.07297	0.9
123.08073	58.4
123.11689	3.0
131.08548	0.9
133.10132	2.9
135.08046	3.8
135.11647	2.9
137.09599	4.0
137.13312	1.5
145.10138	1.3
146.63019	0.6
147.11713	2.7
149.09616	0.9
149.13255	2.4
151.11189	0.8
159.11685	1.7
161.13251	1.5
162.99919	0.5
163.11163	1.4
163.82016	0.7
167.14302	0.9
173.13297	0.9
177.12610	0.8
179.14316	14.8
233.19061	1.1
246.46457	0.6
275.20126	2.0
275.23203	0.8
277.51865	0.6
289.25314	0.7
297.78714	0.6
307.22754	7.7
331.26343	3.8
363.28949	100.0
364.29156	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	363.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01857	2.4
55.05496	3.5
56.96560	2.7
57.03445	1.3
58.13636	1.0
59.00478	0.8
59.04984	2.2
59.59027	0.9
67.05509	7.4
69.03430	8.7
69.07061	2.9
69.30352	2.2
69.30764	9.1
73.06543	5.6
79.05487	7.9
81.03378	1.2
81.07053	11.9
83.04971	3.5
83.08595	1.8
91.05477	16.6
93.07036	14.3
95.04956	3.2
95.08606	9.9
97.02885	17.0
97.06510	1.6
98.21532	2.4
105.07032	29.0
107.04937	2.7
107.08593	16.8
109.06516	8.3
109.10152	6.0
111.04446	3.0
111.08072	3.1
113.00002	5.3
116.14693	1.0
117.07011	4.0
119.08575	100.0
120.08871	1.1
121.06498	4.5
121.10136	7.7
123.08042	11.2
123.11716	3.7
125.09624	80.0
129.06944	1.0
131.08542	3.3
133.06491	1.8
133.10123	85.1
134.10466	1.7
135.08043	2.1
135.11667	3.5
137.05992	1.7
137.09622	7.9
139.07478	1.6
143.08534	7.7
145.06494	2.0
145.10109	3.4
146.07254	2.0
147.08040	49.0
147.09219	2.4
149.13364	1.0
151.11139	4.2
159.11763	1.2
161.09610	36.5
163.03899	2.4
163.11172	2.1
165.09103	37.6
169.02603	6.7
170.80602	1.1
171.08142	1.7
177.05484	2.1
177.12787	1.1
179.10663	20.3
189.07382	2.1
189.09097	38.3
193.12192	5.9
203.10638	1.8
207.10170	39.9
208.10533	1.6
221.11707	52.1
222.11908	1.6
225.11189	2.4
239.12764	39.1
271.16983	1.3
274.32193	1.0
309.82947	1.0
310.44113	1.0
363.21280	1.6
363.25363	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	363.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
55.05501	2.0
56.96568	2.6
57.07075	28.5
61.01146	5.5
67.05491	3.9
69.03426	3.9
69.07062	3.5
70.20393	4.5
71.04989	1.3
72.04516	15.5
73.02920	1.6
73.34914	0.9
73.93417	1.0
74.45217	0.9
78.03783	11.4
79.05495	1.9
81.03416	1.5
81.07043	4.9
81.87793	0.9
83.04994	1.1
83.08604	1.0
85.02901	4.2
85.06541	35.2
88.02203	3.4
91.05481	2.3
93.07033	2.5
95.04952	1.6
95.08611	4.8
97.02888	4.1
97.06550	1.7
98.02373	1.0
98.97617	2.2
99.04484	1.0
99.05580	4.0
102.03773	14.1
102.09200	1.6
105.03382	1.0
105.07026	3.5
107.08558	2.1
109.06546	0.9
109.10149	2.0
111.08076	1.1
113.06004	2.8
114.03772	6.0
114.09171	11.1
116.03477	1.0
116.98632	0.9
119.08586	4.1
120.04819	2.8
121.06508	1.1
121.10165	1.7
123.08124	1.3
124.07607	1.8
125.09664	1.1
125.69991	1.1
127.03919	2.1
128.10741	1.0
131.06358	7.4
131.08603	1.4
132.04781	15.5
132.10217	1.3
133.10118	2.9
135.08080	1.2
135.11774	1.4
137.09631	1.4
141.04755	1.2
142.08675	4.1
145.02875	3.3
145.06749	1.2
145.10120	2.3
147.07988	1.9
147.11757	1.4
149.07439	44.5
156.10207	68.6
157.10248	1.6
159.05838	7.1
161.09668	1.1
165.09152	5.6
167.07063	13.3
167.10736	1.1
171.11694	1.1
177.05501	6.6
184.09720	3.4
189.09151	1.2
215.12193	1.8
233.13194	100.0
234.13533	2.2
245.08537	1.0
261.12695	9.2
271.12186	1.3
273.14459	1.3
277.78745	1.0
318.11032	3.0
323.17020	3.1
332.17578	3.1
332.67560	1.4
345.18481	43.4
346.18588	2.2
354.16895	1.6
363.18106	3.1
363.22260	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01874	3.7
55.05500	6.1
56.96572	3.6
57.03433	4.1
61.02927	3.3
67.05491	3.5
68.05022	2.4
69.03078	2.2
69.03437	26.1
69.07072	5.0
70.06593	9.0
71.04993	9.8
71.56822	2.6
72.08148	5.8
74.06091	2.7
79.05499	6.0
81.03419	32.7
81.07059	6.7
83.04974	3.6
83.08593	3.4
84.04515	7.1
85.02913	67.5
85.06536	2.3
86.09709	6.5
87.04440	2.3
91.05463	10.1
93.07053	10.6
95.04969	6.3
95.08604	5.4
97.02913	11.9
97.06545	2.9
98.97585	3.7
99.04455	29.6
103.03942	55.5
105.07053	12.3
107.04990	3.7
107.08586	8.7
107.90578	1.7
109.02900	29.8
109.06543	4.2
109.10155	3.8
110.07210	2.5
111.04441	4.0
116.98572	2.5
117.07034	3.6
119.04929	2.8
119.08594	7.4
120.08105	4.7
121.06523	3.6
121.10163	6.5
123.08056	4.4
125.09633	2.4
127.03925	100.0
128.06265	2.2
129.07034	2.6
130.04999	2.5
131.08542	8.4
133.06509	2.8
133.10117	9.8
134.99666	2.1
135.08038	5.4
136.07620	2.6
137.09683	2.7
143.08566	5.3
145.04980	15.2
145.10141	5.2
147.04425	15.1
147.11691	2.2
149.09618	5.2
151.11179	1.9
155.08690	2.2
157.10123	6.5
159.08090	2.0
159.11674	2.5
160.05197	3.2
161.06012	2.8
161.09650	4.3
163.03958	2.9
163.06006	4.5
165.05571	3.7
167.10666	10.1
171.11732	2.2
173.13226	3.3
175.11183	2.1
177.05486	3.2
185.11693	3.5
187.06065	8.9
189.12756	1.9
191.10858	2.0
199.14870	2.8
208.89828	2.0
213.12717	2.6
217.12207	1.8
241.12279	3.0
253.07059	2.8
259.13324	5.5
271.08127	2.4
277.14383	3.1
309.14688	1.9
363.14166	5.9
363.18542	7.8
363.22977	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	363.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34963	1.9
53.03940	12.2
53.44622	1.7
55.01872	4.5
55.05510	65.6
57.03428	7.9
57.07073	10.3
59.04996	4.4
61.02930	2.7
67.05507	5.2
68.99804	3.2
69.03429	91.3
69.07064	20.1
70.06581	2.6
71.04993	11.0
71.08619	6.4
71.59193	3.7
73.02902	3.1
79.05481	2.9
81.02980	3.4
81.03422	54.6
81.07050	7.9
83.08637	1.9
85.02426	3.9
85.02905	54.8
85.06534	2.1
87.00828	20.0
91.05466	8.3
93.07058	6.2
95.08596	6.4
97.02889	37.4
97.10170	100.0
98.97556	2.6
99.04454	24.6
99.08090	4.1
101.02361	2.0
103.03939	2.5
104.89360	1.9
105.01867	8.0
105.07030	5.8
107.08595	6.0
109.02880	38.0
111.04439	5.8
115.11207	21.0
117.07001	5.5
119.08598	2.4
121.10150	2.8
127.03921	97.3
129.07004	6.1
131.08591	3.9
133.06509	2.6
133.10132	5.8
135.11642	3.8
137.02322	3.9
141.07071	1.9
143.08583	5.9
143.10675	8.3
145.04961	6.9
145.06509	3.2
145.10165	3.7
147.08047	2.7
147.11647	2.1
153.07036	2.8
157.10196	2.9
159.11658	3.4
161.09624	1.9
167.07037	3.5
171.02914	3.5
171.08098	3.8
171.11755	3.3
173.11743	2.0
187.11148	2.9
189.03969	5.8
197.09706	2.2
213.04001	7.4
213.12718	3.6
219.01904	2.0
219.52660	2.0
223.11292	2.4
223.13286	2.3
231.05000	48.4
241.12239	5.7
241.14546	3.4
259.13284	8.3
268.76437	2.1
327.14450	3.9
328.77066	2.4
329.89505	1.9
363.14417	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	363.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11526	2.2
55.01867	6.1
55.05514	2.0
56.96568	25.4
57.03430	2.0
57.07081	4.9
67.05512	4.5
67.29072	2.0
69.03419	2.5
69.07073	3.1
70.06594	12.2
70.94987	2.5
70.95341	5.0
71.95277	2.1
79.05501	14.7
81.03418	2.6
81.07048	7.9
84.95554	2.2
84.96026	12.3
85.02905	2.4
88.07623	6.7
91.05473	7.1
93.07035	7.8
95.04990	3.0
95.08627	3.1
97.02898	4.6
97.96770	2.2
98.97586	8.6
103.05466	15.2
105.07035	68.4
106.04168	1.9
106.07401	3.2
107.08601	13.4
109.06506	3.8
109.10147	6.7
110.97537	2.6
111.04525	3.3
113.00004	2.5
114.09192	5.1
115.05450	14.3
116.98618	5.8
117.06940	2.7
118.04156	5.6
119.08582	10.6
121.06507	3.7
121.10109	3.6
123.08093	3.4
128.98598	4.7
131.04927	12.8
131.08571	2.3
132.10217	18.5
133.06494	62.0
133.10263	6.3
134.06854	2.8
135.08051	4.5
143.06000	2.2
146.99709	2.7
149.05894	3.2
161.01288	4.5
161.05988	98.9
161.09625	4.4
162.06360	7.4
163.07542	3.3
163.11191	2.2
167.07051	2.4
169.02669	2.4
173.01338	2.7
177.05396	2.1
193.08589	32.2
194.13899	2.7
203.05829	14.9
209.08273	1.9
219.01807	2.4
221.06943	13.6
222.02054	4.1
226.07639	2.4
237.02795	4.6
240.02998	3.9
252.03160	4.8
255.09218	3.3
257.26736	2.5
259.08240	2.4
270.04239	5.3
270.09027	3.4
271.08707	2.4
275.27701	2.2
281.07004	5.6
281.60175	2.3
282.07819	7.7
299.08023	4.1
300.08688	3.3
303.19528	2.3
309.60123	4.0
329.97159	2.3
347.63715	2.5
348.14087	4.3
362.32666	25.3
363.14606	100.0
363.33023	86.5
363.64752	37.5
372.15216	12.5
372.65268	6.9
383.65872	25.2
384.15894	9.9
389.16245	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	363.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
56.05038	0.7
57.03434	3.8
57.07058	0.8
57.89466	0.5
61.02920	1.1
67.05505	4.9
69.03416	1.3
69.07088	0.7
69.88264	3.2
71.01334	3.2
71.04990	100.0
72.08153	0.9
73.02914	4.6
83.06104	1.0
84.04504	1.3
85.02911	9.8
85.06540	2.3
86.09698	1.1
89.40052	0.6
90.04734	0.6
95.01328	1.3
95.04961	2.5
97.02882	4.3
98.88776	0.6
99.00800	1.0
99.04476	1.4
101.02386	0.8
103.03930	1.2
111.04494	1.2
113.02361	3.2
113.06004	12.6
116.98592	0.7
117.05501	4.5
119.04961	0.6
125.02374	0.6
127.03899	1.1
129.46664	0.6
130.27556	0.6
131.03429	2.2
131.07047	7.4
141.01831	4.0
145.04912	0.7
147.04408	0.7
159.02957	0.9
159.06535	1.3
163.03964	0.7
167.07031	0.7
169.05019	0.7
187.06013	0.9
187.09633	11.8
187.11096	0.9
197.04550	1.2
215.05580	3.1
216.11327	0.7
229.10712	4.7
233.06712	0.8
271.11902	0.7
293.08829	1.3
327.10645	0.7
345.11862	1.7
363.12778	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	363.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	13.0
60.04523	2.4
65.58957	1.3
69.03430	2.3
71.04985	4.3
71.40881	2.6
72.08139	2.7
73.02905	1.8
74.06049	2.9
83.06101	1.4
84.04498	3.1
84.08136	3.4
85.02912	6.7
85.06548	2.3
86.09708	10.9
87.10014	2.4
97.02905	2.8
98.97579	97.3
98.98549	3.4
99.05590	1.4
102.05538	1.9
112.07570	1.8
113.00014	2.4
116.98618	78.9
120.98689	1.3
127.03914	3.9
128.98601	2.9
129.10202	1.6
130.08636	1.9
134.99658	46.2
136.06201	11.5
137.06522	6.3
140.00165	4.1
145.04878	1.5
146.99554	2.6
153.00706	5.6
157.01910	1.8
158.01270	3.8
158.99649	49.1
160.00006	1.5
161.02927	3.2
163.03920	1.6
170.99649	1.9
177.00708	100.0
187.04532	1.5
187.14394	2.3
188.14655	3.1
189.08775	1.7
195.01788	12.6
200.02316	10.4
201.00696	2.3
201.04370	2.7
201.12405	2.3
216.14172	2.5
219.01775	57.5
221.05045	1.8
237.02835	6.6
243.01768	2.9
243.05304	3.8
285.06409	1.9
303.07449	26.7
321.08545	45.8
363.09476	21.9
363.13065	1.7
363.17368	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28225	0.3
53.03946	0.3
55.01864	0.8
55.05493	0.4
56.96560	0.4
57.03428	0.6
67.01857	0.8
67.05511	1.5
68.74864	0.3
68.99796	1.4
69.03417	1.1
69.07045	0.4
71.01359	0.5
71.04984	0.3
71.59510	0.3
75.04480	1.8
79.01838	0.4
79.05486	0.5
81.03414	2.1
81.07042	1.0
83.04969	0.3
85.02884	0.6
91.05466	0.7
93.07056	0.8
95.04963	0.8
95.08598	1.2
96.43375	0.3
97.02879	0.8
98.97581	0.3
99.04433	0.5
104.47303	0.3
105.07014	0.7
107.08578	0.5
109.02864	0.8
109.10156	0.4
111.04455	1.5
113.02373	0.3
115.03971	0.3
119.08562	0.9
121.02831	0.6
121.06438	0.4
121.10146	0.5
123.04417	0.4
124.01587	2.0
127.03935	1.8
131.08546	0.4
133.10114	0.5
135.00737	1.6
135.11746	0.3
137.02342	19.6
137.03391	1.7
138.02678	0.4
138.20882	0.2
139.03877	1.0
145.10121	0.4
147.04314	0.3
147.08032	2.1
149.02315	0.5
152.01057	2.4
153.01785	1.9
157.10135	0.3
167.03398	11.6
167.07054	1.1
170.02103	5.4
175.07524	0.4
177.05460	0.5
183.06561	0.7
191.06920	0.3
195.02882	100.0
196.03246	2.5
199.06013	0.6
209.45270	0.3
210.42157	0.3
219.01591	0.3
227.05487	80.8
228.05814	2.2
231.13890	0.5
318.10934	0.6
363.06827	0.8
363.11566	0.4
363.21725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	15.0
56.96550	5.7
57.07058	6.5
64.56408	2.8
65.21235	2.8
65.43614	3.0
66.78893	3.8
67.05502	48.1
69.03410	3.4
69.07047	11.0
69.83903	18.1
70.06573	12.2
70.50974	3.4
71.04992	97.3
71.08615	10.9
79.05475	13.5
79.84955	2.9
81.07056	45.2
83.04958	4.9
83.08612	10.7
84.46481	2.7
87.16458	3.4
88.07625	13.6
91.05463	10.1
93.07059	15.3
95.04970	6.2
95.08584	19.9
97.06525	4.0
97.10149	15.3
99.08084	8.6
102.09167	5.7
105.07021	11.9
107.08572	12.4
109.10146	29.3
113.01199	2.9
114.09208	5.1
119.08558	12.4
120.08826	3.0
121.10161	4.6
123.11683	8.6
125.09644	15.7
131.08583	5.4
132.10254	20.1
133.10110	11.5
135.11661	7.4
137.05962	28.3
143.08464	5.1
145.10162	3.9
147.11629	5.4
149.09648	4.2
149.13249	8.7
151.11157	3.8
155.10641	8.6
155.14313	55.5
159.11647	6.0
161.13231	6.9
163.05222	3.2
173.11745	59.8
173.13184	6.3
177.12785	6.2
179.14291	8.0
181.92561	2.9
189.11177	20.1
193.72316	3.2
195.13828	7.3
227.16373	31.4
236.07756	3.8
256.26328	9.6
259.20517	5.5
266.06808	3.4
274.27518	3.6
277.21570	24.3
295.22644	3.9
362.32690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2374
Annotation	Jolkinol D
Peak:m/z	Relative Intensity
55.05505	23.3
69.07056	16.4
69.68970	100.0
69.69374	26.9
79.36284	14.5
81.07042	22.5
85.01237	16.1
93.07075	18.8
95.08598	62.2
105.07056	25.2
107.08624	21.6
109.10149	20.5
119.08560	30.1
121.10130	24.0
133.10150	21.2
135.11676	25.4
135.90686	15.3
157.09993	18.8
221.22664	14.9
301.21729	32.9
302.22025	22.0
319.22763	22.4
361.28745	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	361.2372
Annotation	Gibberosene A
Peak:m/z	Relative Intensity
51.92204	0.4
53.03934	1.0
55.01881	0.5
55.05303	0.5
55.05510	5.2
57.07063	1.4
65.03929	0.7
67.05500	5.9
69.03429	4.9
69.07066	4.1
70.06567	1.0
70.72211	1.4
71.08632	3.0
79.05495	3.3
81.07054	7.3
82.32380	0.4
83.04987	1.2
83.08619	2.6
85.02896	6.2
85.06530	0.6
87.04466	0.9
91.05479	4.0
93.07043	12.0
95.04945	1.5
95.08045	0.7
95.08607	9.0
97.02895	2.8
97.06516	1.0
97.10172	1.4
99.08085	4.3
105.07032	8.2
107.08595	19.5
109.06530	2.6
109.10162	5.9
111.04420	1.4
111.08089	1.2
115.07576	0.8
117.07010	1.2
118.38173	0.5
119.08574	10.2
121.06490	1.0
121.10139	11.0
123.08087	4.0
123.11721	1.6
125.05994	1.9
125.09602	1.0
129.06972	1.1
131.08572	2.4
132.10231	0.6
133.10135	8.7
135.08046	2.5
135.11702	4.6
137.05988	0.6
137.09575	1.2
137.13258	0.7
138.06761	1.8
139.07549	4.9
143.08551	1.6
144.09335	1.3
145.10118	5.7
147.08003	1.2
147.11685	6.9
149.09628	3.3
149.13263	1.9
151.07538	100.0
152.07930	2.1
156.09314	1.2
157.10101	2.5
158.10922	0.9
159.11691	7.5
161.09644	2.9
161.13243	4.8
163.11163	1.7
163.14809	4.7
169.10156	0.7
171.11671	2.6
172.08810	0.8
173.09615	2.0
173.13261	3.8
175.11186	2.0
175.14804	2.7
177.09074	0.7
177.12779	3.2
177.16440	0.6
185.13179	2.3
187.11165	3.8
187.14810	2.3
189.12717	1.2
189.16354	0.8
191.10619	4.6
193.12238	1.4
199.11057	1.2
199.14854	1.4
201.12775	2.1
201.16379	1.0
203.10777	0.9
203.14340	1.4
203.17932	4.5
205.12231	3.7
207.13744	0.5
209.13293	0.7
211.14729	0.6
212.11914	0.5
213.12735	1.9
213.16431	0.5
215.17903	0.6
217.12227	1.9
219.13820	1.5
227.14359	1.5
227.17949	0.8
229.15831	0.8
231.13846	3.6
241.15883	0.6
245.15315	3.1
247.26143	0.5
248.16524	0.9
253.11909	0.5
255.20975	1.1
256.26410	0.8
259.20538	0.8
273.22211	0.5
277.21545	0.7
283.20419	2.6
300.28949	2.5
301.21616	11.2
302.22079	0.9
319.22644	19.6
320.22903	1.0
333.24280	1.7
343.22690	0.7
361.23730	89.3
362.24026	5.3
362.32642	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	361.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39201	1.3
54.40647	1.4
55.01878	2.6
55.05515	2.1
56.96556	3.6
57.03434	6.8
61.02919	4.1
65.03950	1.8
65.36056	1.5
67.05516	3.6
69.03425	7.4
69.23787	1.4
70.06593	2.3
70.98906	4.0
71.05003	11.2
72.08154	8.8
79.05495	6.3
81.03440	2.4
81.07052	10.7
83.04981	3.2
85.02914	13.4
85.06551	1.9
86.09716	4.3
91.05491	7.2
93.07043	23.9
95.04978	3.1
95.08616	2.8
97.02897	4.9
97.06532	1.8
98.97607	4.5
105.07036	6.6
107.04980	2.9
107.08611	5.0
109.02876	2.6
109.06542	8.5
109.10172	3.3
116.07172	2.2
116.98634	2.6
117.07037	2.5
118.54222	1.5
119.08568	8.6
120.08119	2.0
121.06466	2.9
121.10164	32.2
123.04435	9.5
123.08083	8.9
124.04794	5.6
127.03919	3.7
127.07566	2.7
131.05038	2.3
131.08588	2.1
135.08087	3.4
135.11690	7.2
137.05988	7.1
139.07555	4.6
139.11205	10.0
145.05006	2.3
145.10124	15.3
147.04378	3.6
149.06039	2.3
151.07565	3.5
161.05983	4.3
163.07492	2.5
163.11197	55.3
168.06569	1.5
177.00687	2.1
177.05489	2.7
179.07013	3.5
181.04993	5.4
181.12244	100.0
189.09039	2.1
195.08110	2.0
197.08131	2.0
199.08507	2.3
199.13310	91.8
201.12375	1.9
202.12561	2.1
207.06532	6.0
219.01762	2.6
229.11710	2.0
230.12088	1.6
237.81851	1.5
241.87144	1.6
280.07019	2.6
293.09088	2.6
315.04483	2.0
328.66357	1.7
361.08975	2.6
361.13824	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	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.0
55.01874	3.4
55.05519	2.5
56.96555	4.2
65.03948	2.7
67.05500	3.3
69.03429	2.7
69.07070	3.4
69.47647	10.1
71.04988	2.0
79.05502	16.3
81.03429	1.5
81.07055	9.4
83.04981	1.9
85.02900	3.8
85.06549	2.1
91.05479	27.6
93.07054	13.9
95.04966	13.6
95.08618	6.1
97.02887	3.3
98.97591	2.4
103.05472	17.8
105.04528	1.2
105.07038	15.4
106.04200	1.4
107.04959	30.0
107.08615	4.5
109.02873	1.7
109.06512	4.9
109.10187	3.4
111.04442	2.8
115.05471	4.9
116.98624	1.8
117.03471	1.4
117.07037	5.4
119.04928	8.1
119.08603	4.1
120.05811	1.5
121.02843	1.3
121.06528	19.9
121.10144	3.3
123.04461	8.1
123.08111	2.1
123.11710	1.5
124.05195	3.7
125.05978	4.1
128.06247	7.6
129.06136	2.4
129.07018	26.2
131.04938	26.4
131.08591	12.3
132.05272	1.3
133.02875	3.0
133.06500	5.2
133.10141	1.6
135.04407	2.6
135.08031	7.7
135.11728	1.7
136.05232	1.7
137.05991	17.1
137.13223	2.0
138.03111	1.7
138.06738	1.9
143.04971	2.1
143.08521	2.3
145.06493	6.2
146.07266	2.8
147.04425	15.7
147.08058	2.5
147.11700	2.5
148.05089	5.3
149.02351	1.7
149.06021	11.4
149.09619	1.5
151.03885	4.8
151.07533	20.5
152.04698	4.3
152.06169	2.9
153.05495	13.8
153.06689	2.3
154.07822	1.5
155.07074	2.1
157.06491	18.8
158.07245	1.7
159.08069	3.4
159.11562	1.3
160.05261	1.8
161.05991	36.8
161.09630	10.6
162.06740	2.0
163.07555	21.3
165.05536	3.4
165.07019	8.2
165.09097	8.4
166.06279	7.8
166.07710	3.2
167.07057	72.4
167.08531	5.7
169.06514	3.5
169.10086	1.6
171.08064	1.8
173.06068	2.8
174.06783	11.5
175.07497	8.3
177.05598	2.3
177.07054	1.8
177.09087	8.0
178.07704	2.6
179.07027	4.1
179.08612	5.9
179.10689	2.0
181.06677	3.7
181.08604	100.0
182.07277	7.2
182.08875	2.9
183.08070	2.7
189.09120	82.3
190.07744	2.8
190.09477	2.2
191.08551	4.7
191.10643	4.2
193.06622	2.8
193.08583	3.5
194.07281	5.3
195.08110	12.4
195.09940	2.1
196.08765	2.2
197.05994	3.4
197.08102	1.5
197.09625	10.2
199.07596	3.2
203.10701	1.6
204.02853	2.3
205.06567	2.9
205.10129	1.5
207.08142	4.3
207.10196	20.6
208.08875	4.4
209.06082	3.4
209.09732	2.6
210.06781	4.8
210.10059	1.4
211.07587	5.1
212.04706	1.6
212.08315	3.0
219.08037	8.1
219.10036	2.2
221.06015	4.6
221.09763	1.9
221.11795	1.5
222.03900	1.5
222.06891	4.1
223.07574	6.3
223.11197	4.9
224.08286	2.0
225.05499	3.7
225.09113	15.0
227.07071	4.7
229.12253	3.2
235.07642	3.9
236.08351	3.0
237.09106	3.9
238.06224	2.7
239.02124	2.3
239.07126	6.6
239.10651	3.5
240.07762	5.4
241.08664	5.2
242.09465	2.7
247.07516	3.4
251.07076	4.2
251.10706	6.7
253.08647	12.9
253.11304	1.6
253.12117	1.3
254.09314	2.8
255.06554	3.3
255.10117	6.4
257.03687	1.4
257.08447	1.5
257.08929	2.0
257.11740	18.9
265.08569	3.7
267.10168	4.1
268.07370	3.8
269.07950	3.6
270.08963	4.5
271.09711	1.9
271.13583	3.3
272.14658	4.3
279.10150	6.6
283.09705	13.0
283.13327	11.3
284.10355	1.7
285.07928	2.5
285.11206	35.1
296.10428	2.2
297.11258	4.4
299.09192	4.3
299.12930	4.1
300.09714	1.8
302.11539	5.5
311.12823	9.0
315.12222	24.4
315.15610	2.4
317.13855	27.7
318.14221	2.0
329.13837	4.7
331.15509	4.3
332.91733	1.8
343.15344	13.9
361.16464	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	361.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.0
55.05519	12.0
56.96552	2.8
57.07059	3.1
63.88117	1.5
67.05499	17.0
68.99765	1.4
69.03409	3.6
69.07066	23.8
70.06584	2.2
70.85614	1.5
70.85954	3.0
71.04989	3.5
73.01135	1.8
79.05494	25.8
81.07055	41.5
83.04961	5.2
83.08608	8.8
84.96014	1.7
85.02916	2.3
85.06540	10.0
86.09686	9.9
86.99055	1.4
87.00818	4.2
87.02676	1.4
87.10026	5.0
91.05476	19.5
93.07039	100.0
95.04948	9.7
95.08604	66.6
95.09100	1.4
97.06541	13.0
98.97582	14.5
99.02682	1.6
105.01852	3.2
105.07014	5.9
107.08595	75.3
108.08987	1.5
109.06491	4.0
109.10160	9.0
110.97576	1.4
115.02126	2.3
116.98605	9.1
119.08636	2.1
120.08066	1.8
121.10150	2.1
123.11726	2.6
127.03844	1.6
128.98608	4.3
133.10083	2.8
134.99654	3.2
135.11681	33.5
136.12059	1.4
137.05875	1.5
137.09680	1.7
144.08275	1.5
145.03185	7.2
146.99629	3.6
151.11160	1.6
153.12733	4.9
158.99658	2.5
161.19931	1.3
163.03867	3.3
167.08832	1.6
173.11760	2.2
173.24626	1.5
175.02382	12.8
177.00676	4.0
185.09920	3.5
189.00771	1.8
189.09100	1.6
201.12396	1.9
202.12712	1.8
219.01782	5.5
229.11922	1.9
237.02867	9.3
242.03358	1.3
257.12033	2.9
270.64517	1.5
301.09689	7.6
319.10709	12.6
343.12125	3.5
361.13232	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0894
Annotation	Nitrovin
Peak:m/z	Relative Intensity
55.25215	0.4
55.39291	0.4
71.21261	0.9
72.08151	0.6
81.07061	0.5
84.04484	0.6
86.09702	0.9
91.05477	0.5
99.50888	0.5
119.04948	1.2
142.03186	0.7
147.04399	3.8
169.02589	2.2
171.00916	0.5
179.03169	0.7
197.04195	2.1
215.05264	5.4
232.24680	0.4
287.91135	0.5
303.77084	0.5
315.08353	0.6
336.73541	0.5
343.07840	2.2
361.08936	100.0
362.09247	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	361.0916
Annotation	3,5,7-Trihydroxy-2',4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
50.43036	0.3
56.10460	0.3
66.67360	0.3
69.70997	0.4
69.71400	1.9
79.05487	0.5
81.07051	0.8
91.05467	0.5
93.07021	0.6
95.04958	0.4
95.08579	0.7
97.02922	0.6
97.06564	1.6
97.07070	0.3
98.20754	0.4
105.07043	0.7
107.08568	0.7
109.02892	0.3
113.02362	0.5
119.08601	0.6
121.10108	0.4
123.04417	0.6
123.08053	0.5
133.10141	0.4
135.04475	0.5
135.08051	1.6
137.02322	3.4
145.06496	0.3
147.04382	0.7
151.07542	1.3
154.02579	0.5
159.04362	0.4
161.05986	0.4
164.21587	0.3
167.07106	0.5
176.04826	0.3
176.65019	0.3
181.08713	0.4
183.02925	1.0
187.03973	0.4
189.09166	0.5
193.01338	0.5
201.05569	0.5
203.03360	1.5
207.13789	0.5
209.01076	0.3
211.03772	0.3
212.04666	0.5
215.03511	0.5
225.05530	0.4
226.06143	0.4
229.04901	0.9
240.04120	0.4
242.05705	0.5
243.06609	1.1
245.04187	0.4
247.06169	0.6
253.04822	0.4
254.05713	0.3
255.06596	0.5
257.04401	4.9
260.03186	1.6
270.05237	1.3
271.05975	2.3
272.26843	0.3
275.05496	0.6
281.04269	0.4
282.05273	0.8
283.06006	5.1
285.03946	17.0
286.04468	0.5
287.05377	0.4
288.02576	1.6
297.03836	0.4
298.04636	0.4
299.05557	3.3
300.06281	5.5
302.04099	0.4
303.04993	15.9
304.05356	0.9
310.04654	0.5
311.05493	8.5
312.06006	0.4
313.03375	0.7
315.04956	0.6
316.05820	0.8
317.06525	0.8
327.05005	4.3
328.05765	18.0
329.06326	1.4
330.03775	0.5
331.04495	2.9
345.06070	19.0
346.06787	5.4
361.09174	100.0
362.09564	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	361.0895
Annotation	Nitrovin
Peak:m/z	Relative Intensity
50.12999	0.6
56.96568	6.5
67.05511	1.1
69.03438	1.2
69.07062	1.4
70.06585	4.0
70.19294	1.7
70.19721	1.2
72.08157	1.9
74.06093	1.2
74.58281	0.6
79.05515	1.0
81.03423	1.4
81.07057	1.7
83.04983	0.8
84.04510	1.0
84.08168	0.8
85.02914	2.2
86.06033	0.7
86.09708	5.4
91.05466	4.1
93.07066	1.7
95.04954	1.5
95.08606	1.1
97.02914	1.4
97.06537	0.7
98.97598	2.5
99.04491	0.6
102.05562	0.8
102.10795	0.6
105.07056	1.5
107.04948	1.1
107.08614	1.1
109.10128	1.0
113.00028	1.3
113.05326	0.6
116.07044	0.9
116.98631	2.0
119.04936	5.4
119.08559	1.1
120.06592	0.9
120.08106	1.0
121.06390	0.5
123.08076	0.6
123.39980	0.6
127.03918	1.1
129.01784	0.8
129.10254	0.8
131.08606	1.2
134.99631	0.9
135.07953	0.6
135.11667	0.6
137.05980	1.4
143.08537	0.6
146.11821	1.3
147.04398	15.5
148.04732	1.3
151.07576	0.8
161.01233	0.7
167.07138	0.8
169.02603	5.4
169.05107	0.7
174.96957	0.6
177.00778	1.7
179.03238	1.2
181.05035	0.7
187.03714	1.3
189.00586	0.7
197.04262	2.4
199.06433	9.3
203.03416	0.7
203.14149	1.0
207.06448	0.8
215.05269	11.8
215.49037	0.6
217.07478	28.1
217.62860	0.7
235.08502	15.7
240.09111	2.1
241.07541	1.1
258.10226	1.0
259.08499	6.2
262.66394	0.6
268.25980	0.6
277.09662	1.4
283.93570	0.7
315.05042	0.9
315.08441	0.9
343.07877	7.7
361.08408	100.0
361.12509	14.5
362.08893	7.3
379.12741	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28806	5.4
55.01870	5.8
55.05515	29.4
62.15125	5.5
67.05510	67.1
69.03430	9.7
69.07067	27.1
71.04996	55.8
71.59698	8.0
71.60161	5.0
72.12367	5.0
79.05495	55.8
81.07053	33.3
82.18643	5.4
83.08615	22.2
85.02914	17.9
85.06556	6.5
88.03999	5.9
91.05497	27.8
93.07050	75.0
95.04982	7.1
95.08607	32.5
97.02893	12.7
97.06522	22.2
97.10183	27.6
99.04437	5.5
99.08033	5.3
100.74965	4.9
105.07021	22.7
107.04965	6.5
107.08608	51.0
109.06529	7.5
109.10156	57.0
111.08038	7.7
117.64326	4.8
119.08591	17.5
121.10152	75.5
125.09629	28.5
127.03903	10.7
133.10123	8.1
135.11736	9.7
145.04938	10.8
145.10107	11.0
149.09651	8.2
153.12740	57.0
155.10701	11.0
159.08318	5.8
159.11647	6.1
173.11749	100.0
173.13191	11.7
181.08543	7.2
189.11212	32.0
195.08156	6.2
198.08315	6.9
252.12291	5.6
258.58588	5.4
274.27341	6.7
275.20087	56.4
360.22278	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74969	3.2
55.05504	31.3
57.03436	5.7
58.36194	3.4
67.05168	6.1
67.05504	64.9
69.03407	4.9
69.07061	28.9
71.04996	83.3
71.60173	7.3
73.06544	5.7
79.05487	65.1
81.07056	45.3
83.08600	13.2
85.02929	7.1
87.08060	3.8
91.05482	28.6
93.07041	78.2
95.04934	8.6
95.08606	33.6
97.02936	4.1
97.06528	13.0
97.10153	27.2
105.07046	18.7
107.08591	45.6
109.06560	4.9
109.10151	44.1
111.08091	7.2
117.07027	6.9
119.08584	18.6
120.08078	6.5
121.10133	74.1
123.08049	5.0
123.11710	10.8
125.09610	27.0
131.08583	8.8
133.10127	16.8
135.11693	10.5
136.61313	4.2
137.09610	4.5
145.10091	9.5
147.11708	10.3
149.09621	7.8
153.12747	63.0
155.10680	11.2
159.11671	7.7
161.13142	3.7
163.11220	4.4
173.11748	100.0
177.12666	4.2
189.11217	28.1
195.13889	6.3
213.14809	5.5
227.16418	14.6
257.19028	6.5
260.12848	6.8
275.20099	51.0
307.22537	5.6
375.89407	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	360.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	26.5
59.05010	22.5
67.05499	31.4
69.03411	23.5
79.05495	38.6
81.07047	52.7
83.05022	22.3
85.02913	28.5
91.05497	26.8
91.98846	19.8
93.07057	46.5
95.04939	29.6
95.08630	92.7
97.02910	28.0
97.06521	20.4
105.07055	47.0
107.04906	23.4
107.08601	65.6
109.10132	42.6
113.90190	18.5
119.08596	62.9
121.10147	44.0
131.51033	20.0
133.10149	30.2
135.08032	95.4
135.11723	23.4
149.47206	21.5
151.07550	48.5
159.11731	33.3
167.06950	24.2
181.08553	37.0
225.75157	18.9
301.21527	100.0
319.22821	33.8
361.20099	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	360.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.8
55.98535	3.0
60.04525	77.4
66.83875	2.8
67.05496	11.3
69.07047	6.0
69.51717	4.9
69.52122	20.7
79.05491	7.7
81.07059	13.5
83.08613	6.9
85.02934	3.3
88.67984	3.0
91.05491	10.3
91.17545	3.1
93.07043	14.6
95.08604	61.7
104.00640	3.1
105.07027	12.2
107.08566	21.2
107.09206	3.0
109.10143	18.2
111.04456	11.2
118.23066	2.6
119.08593	19.7
121.10152	13.7
122.09630	3.2
123.11683	10.4
125.05969	8.0
130.45636	3.7
131.08571	4.4
132.52600	3.4
133.10136	20.0
135.11699	14.3
141.35228	3.2
143.08470	6.5
145.10138	8.8
147.11693	9.0
149.13286	10.9
159.11690	11.4
161.13277	8.5
171.11635	5.6
173.13260	5.1
178.94791	3.0
179.10738	5.0
185.13310	5.4
187.11229	4.4
187.14763	7.5
191.17950	4.6
199.14809	6.0
201.16394	4.1
203.18031	6.5
205.12212	4.5
211.37489	3.2
213.12891	3.6
213.16533	3.5
219.11623	3.1
227.14435	3.4
231.13770	8.3
239.17981	6.7
239.55243	3.1
245.15454	3.7
255.21060	6.6
268.61331	3.1
283.20639	9.6
300.62793	3.1
301.21603	100.0
302.21884	5.0
319.22702	13.9
342.24356	13.9
360.25394	9.9
360.37302	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	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01859	11.2
55.05513	58.8
57.03423	9.8
57.07065	5.5
59.04746	4.4
59.05003	50.8
65.03952	4.3
67.05174	6.3
67.05507	91.6
69.03431	11.5
69.07070	100.0
70.85497	12.1
71.01329	4.1
71.04994	66.1
73.02917	8.3
79.05071	5.0
79.05498	68.6
81.03410	24.0
81.07060	60.5
83.04977	10.8
83.08630	36.0
85.02899	5.7
85.06542	7.7
85.52282	3.6
91.05473	41.9
91.85728	3.8
93.07053	44.2
95.04963	29.9
95.08603	35.0
97.06528	49.0
97.10173	61.2
105.07044	26.5
107.04933	11.7
107.08603	40.7
109.06526	20.7
109.10165	26.4
111.08044	5.4
113.05994	6.0
115.07577	41.6
117.07015	14.4
119.08566	21.4
121.06493	9.3
121.10161	33.3
123.08037	6.2
123.11695	4.2
124.22446	4.1
125.09628	42.5
129.07007	5.6
131.08539	11.1
133.10135	15.0
135.08054	11.1
137.09622	5.8
145.06544	3.7
145.10066	7.5
147.08109	7.0
147.11707	10.9
149.13211	4.3
153.09125	3.6
153.12730	21.0
155.10629	6.0
159.11697	7.3
160.08961	4.2
161.09575	4.8
161.13240	5.8
161.77272	3.8
165.53085	3.4
173.11749	35.8
175.11232	4.0
177.12677	5.4
189.11203	32.9
223.13295	16.1
232.73372	4.0
237.14813	10.6
257.19086	4.5
273.18512	7.8
275.20068	23.4
325.20044	7.8
360.23386	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	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.1
55.01859	12.9
55.05513	66.6
56.96539	4.0
57.03435	9.3
59.05006	26.3
67.05174	6.3
67.05505	87.2
69.03426	16.5
69.07072	100.0
70.09726	15.8
71.04993	87.0
73.06508	3.9
79.05066	6.0
79.05497	87.0
79.05950	4.5
79.59126	3.3
81.03412	18.9
81.07059	61.5
83.04967	12.2
83.08619	40.5
85.02887	14.1
85.06543	11.5
85.34868	3.7
91.04962	4.5
91.05482	44.1
93.07042	83.2
93.96942	3.6
95.04980	26.6
95.08613	43.1
96.08915	4.2
97.02885	11.7
97.06528	60.4
97.10163	49.9
105.07027	34.0
107.04925	8.6
107.08595	48.5
108.05678	3.8
109.06518	17.1
109.10164	42.9
110.10422	3.9
111.08078	10.8
115.07529	12.8
117.07014	14.1
119.08587	25.7
121.06512	26.2
121.10139	66.1
123.08060	16.2
123.11685	9.0
125.09624	34.8
127.03903	11.5
129.07042	5.2
131.08557	11.9
133.06476	4.8
133.10129	21.7
135.08022	11.8
135.11693	5.7
137.09621	9.8
145.04968	8.9
145.10068	17.3
147.08067	5.3
147.11664	9.8
149.09602	11.7
153.12755	49.5
155.08556	4.5
155.10643	12.2
157.10130	6.3
159.11713	13.0
161.13277	8.2
163.11232	6.1
165.09117	4.7
169.09995	4.4
173.11754	84.1
173.13161	5.4
179.10582	5.2
185.13203	3.9
187.11165	8.0
189.11189	35.0
217.16045	4.6
223.13277	12.7
237.14810	7.1
257.18964	3.8
259.09586	5.5
273.18463	9.2
275.20038	46.1
293.21097	3.8
325.19971	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	360.2129
Annotation	Asp Ile Leu
Peak:m/z	Relative Intensity
55.05510	1.3
55.82438	0.3
56.05036	0.4
56.96564	1.2
57.03433	0.6
57.07071	0.4
59.05006	0.4
60.04531	0.4
67.05502	1.5
68.04980	0.5
69.03420	1.4
69.07067	10.6
70.02954	0.7
70.06586	2.2
71.04983	0.9
71.56983	0.6
72.08146	1.0
73.02914	0.6
73.04021	0.6
74.06091	0.7
79.05503	1.9
81.03400	0.6
81.07064	2.6
83.04978	0.5
83.08604	0.5
84.04507	1.8
84.08134	1.0
85.02905	2.2
85.04038	1.4
86.09705	80.7
87.10052	1.6
88.03989	14.1
88.04533	0.8
91.05468	2.6
92.11504	0.4
93.07043	6.1
95.04972	1.3
95.08611	2.8
96.08128	5.4
97.02888	1.3
97.06513	0.9
98.02428	3.6
98.97594	2.5
99.04480	0.4
100.03968	0.5
100.07624	0.4
105.07024	1.3
107.08595	6.5
108.08933	0.5
109.02878	0.5
109.06496	0.6
109.10153	1.2
110.06063	0.4
110.09669	1.6
113.10770	0.9
114.05563	0.4
115.05035	1.1
116.07148	0.4
116.98608	1.6
117.07048	0.5
119.08607	0.7
120.08101	1.1
121.06499	0.4
123.08054	0.4
123.11689	0.4
126.02509	0.4
127.03916	1.1
128.98650	0.4
130.04999	0.5
130.08620	1.0
132.10207	6.0
133.06058	1.9
133.10130	0.6
134.99667	1.1
135.04388	0.4
135.11679	1.2
137.05989	0.5
137.09537	0.4
138.09142	1.9
141.09206	0.4
141.10225	12.0
142.08664	2.7
146.99629	0.3
147.04395	0.5
149.01166	0.4
151.07515	0.6
151.11154	0.4
155.11726	1.0
156.10194	19.6
158.99704	0.9
159.76923	0.4
161.44177	0.3
163.03941	0.5
163.07565	0.7
166.08624	1.4
173.04900	0.6
175.04337	0.7
177.00719	1.4
183.11292	5.7
184.09694	2.0
184.11465	0.5
200.14014	0.9
201.12341	100.0
202.12708	1.1
203.07547	2.3
203.57761	0.5
212.09264	0.4
214.58354	0.6
219.01813	0.7
223.32173	0.4
225.07916	0.7
229.11824	24.4
230.12015	0.4
237.02811	1.5
243.09038	1.6
245.18571	0.7
247.12894	1.1
255.11430	0.5
261.10031	1.3
269.10605	0.4
273.11911	0.5
284.10117	1.5
301.11813	0.5
333.14404	0.5
360.07092	0.6
360.16772	0.8
361.13297	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	360.2129
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
56.96576	0.9
60.04541	0.5
67.05519	1.1
69.03422	1.6
69.07054	2.5
70.06599	1.7
70.84212	1.1
70.84579	1.2
72.08167	1.2
73.02937	3.1
79.05502	1.5
80.60353	0.6
81.03423	0.9
81.07038	1.5
83.04964	0.7
84.04519	0.8
84.08138	1.2
85.02907	3.1
85.04009	0.8
86.09708	84.8
88.03996	9.3
91.05478	1.2
93.07047	2.3
95.04977	0.9
95.08595	1.4
96.04455	0.8
96.08131	2.4
97.02883	1.3
97.06580	0.8
98.02413	3.0
98.97615	0.8
100.03983	5.0
103.05473	2.1
104.05797	0.6
107.04938	1.1
109.02924	0.8
109.10105	0.9
113.10773	2.3
114.05553	0.9
116.98635	1.2
121.06496	1.3
123.11731	0.7
127.03914	1.5
131.04936	3.2
132.05286	2.4
132.10185	6.6
135.11743	0.6
137.02359	1.3
137.05984	2.4
138.09129	5.9
141.10231	10.0
142.08685	1.7
145.05022	0.8
151.07559	0.7
153.01868	1.1
153.05339	0.6
155.11804	1.2
156.10201	11.0
161.06067	0.6
162.06578	0.6
163.03877	1.0
163.07556	1.2
166.08647	1.1
167.07083	0.7
179.07036	0.6
180.13852	0.9
181.04967	1.7
181.08667	0.6
183.11320	6.7
184.09737	3.5
192.31862	0.6
201.12347	100.0
202.12656	1.2
219.01743	0.7
229.11833	29.2
237.02806	0.8
245.04520	0.9
245.18568	2.0
273.03934	0.9
296.19958	0.6
300.05121	0.8
302.03860	0.9
303.04877	0.7
310.08920	0.6
314.07098	0.6
318.06049	2.0
319.04398	0.6
327.12595	1.0
330.14499	0.7
342.06271	1.1
342.10474	0.7
342.14481	2.1
342.19885	1.5
360.07129	1.3
360.15280	1.1
360.25452	0.8
378.01926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.1
53.30014	0.9
55.01884	7.1
57.03441	8.4
61.02935	4.8
69.03430	32.4
70.06599	2.0
70.11129	5.4
71.05000	2.3
72.08148	2.1
73.02916	5.6
81.03432	3.5
81.11552	1.0
85.02905	100.0
86.09726	2.4
86.24136	1.1
87.04485	1.1
89.03927	2.5
96.76417	1.2
97.02891	27.0
99.04453	7.4
101.02387	6.3
109.02898	4.7
115.03918	2.4
117.03384	1.5
119.04935	1.2
127.03919	67.1
135.04422	2.9
143.01926	1.0
145.04959	60.8
147.04402	1.8
163.03923	14.0
163.05998	14.5
164.04225	1.3
180.08638	4.9
184.83624	1.1
185.02965	1.0
203.04147	1.4
223.06067	1.1
245.05107	3.4
275.06113	4.0
289.09137	3.7
325.11316	2.4
361.08939	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	359.3155
Annotation	1,2-O-(2'-hydroxyoctadecyl)-glycerol
Peak:m/z	Relative Intensity
55.05511	19.9
57.03442	8.9
57.07076	100.0
65.48271	4.2
67.05502	32.7
69.07062	26.3
70.06593	5.7
71.00085	10.2
71.08279	6.2
71.08633	70.9
75.04466	3.7
75.21856	3.8
75.91068	3.6
79.05518	4.7
81.07055	49.0
83.08613	33.0
85.10189	46.9
88.07619	5.0
91.05432	5.9
93.07033	8.3
95.08601	66.9
97.10172	29.0
105.03738	6.3
107.08566	7.3
109.10149	37.4
111.11712	13.3
119.08581	5.3
121.10133	5.0
122.06373	7.5
123.11700	17.0
137.13235	11.2
149.13239	4.0
165.16295	4.8
267.26730	21.3
285.27902	10.8
296.29501	23.8
318.21188	4.7
341.30518	90.8
342.30612	5.2
359.37161	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3152
Annotation	AKD 2A
Peak:m/z	Relative Intensity
55.30483	12.2
57.03413	13.9
57.07079	100.0
67.05494	25.6
70.72531	20.4
71.08627	71.8
81.07058	33.2
83.08604	21.5
85.10178	47.8
95.08604	52.7
97.10174	16.1
109.10179	34.7
173.98607	12.7
204.63699	11.6
208.27676	11.1
218.97540	12.2
267.26755	24.9
341.30475	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.2
55.01881	7.9
55.05513	28.6
57.03423	10.4
66.07975	3.2
67.05509	44.9
69.03439	40.8
69.07091	20.0
69.97958	11.3
69.98370	5.9
71.04993	23.7
71.99942	3.9
73.02917	4.7
79.05502	31.2
81.03419	47.8
81.07061	74.1
83.04987	25.9
83.08601	16.1
85.02915	29.3
85.06547	11.1
91.05481	37.4
93.07047	38.4
95.04986	21.1
95.08041	6.7
95.08609	74.8
95.09171	6.6
97.02906	20.1
97.06529	28.0
97.10160	8.5
99.04466	8.1
99.08099	8.1
103.05460	16.4
105.07035	43.0
107.04985	6.1
107.08590	20.1
109.02864	11.3
109.06542	18.0
109.10175	18.1
111.04449	10.3
111.08062	16.3
113.06017	6.9
117.07028	10.7
119.04946	6.5
119.08584	28.9
121.06525	15.0
121.10163	13.4
123.04451	18.1
123.08088	10.4
123.11684	3.5
125.09641	4.5
127.03950	19.4
129.07008	5.5
131.04942	28.4
131.08601	10.4
133.06509	8.7
133.10127	21.0
135.08087	8.1
135.11708	8.9
137.05997	10.8
137.09605	7.7
137.13249	6.6
139.03957	6.9
143.08568	4.7
145.10110	7.5
147.08093	6.9
147.11713	8.8
149.06038	4.9
149.09607	3.7
149.13290	5.4
151.03903	3.9
151.07574	30.3
155.03413	8.8
157.10176	4.8
159.11726	7.1
161.06044	4.5
161.13268	42.7
163.07568	9.4
165.09215	3.8
167.07140	6.0
171.11626	5.6
173.09654	3.9
173.11745	14.2
173.13165	7.5
175.07581	7.7
175.11232	3.7
179.07062	19.1
179.08386	4.2
179.14355	28.4
197.08101	100.0
197.15405	11.6
198.08411	4.4
203.14284	3.5
207.13913	7.5
209.15375	4.6
215.14267	4.0
219.13824	6.2
225.12779	4.1
225.14912	8.6
237.14807	20.2
249.14688	4.8
251.16389	8.7
261.09360	3.6
263.16446	6.4
269.15460	4.7
287.16425	15.1
305.17407	31.2
323.18524	67.1
327.08249	3.9
341.13809	6.1
341.15466	4.3
341.19611	42.2
359.14841	5.6
359.21570	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	359.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22757	0.5
53.03937	0.8
53.79700	0.4
55.01876	0.7
55.05499	2.1
57.03426	0.6
57.07072	0.6
65.03931	0.5
67.05512	2.4
69.03432	1.4
69.07063	2.4
69.58280	3.6
71.04984	1.5
72.08153	1.0
79.05487	2.0
81.03411	1.6
81.07059	5.8
83.04961	0.6
83.08588	1.0
85.02905	1.6
85.06535	0.7
86.09705	2.1
87.10054	0.5
91.05491	4.0
93.07066	3.6
95.04959	1.8
95.08618	4.6
97.02904	1.7
97.06523	1.5
99.04443	0.6
103.05470	1.2
105.07053	2.7
107.04979	2.3
107.08608	2.7
108.05726	1.0
109.02873	0.7
109.06508	1.3
109.10159	1.8
111.04441	0.5
111.08126	0.5
111.75907	0.4
113.06012	1.4
115.05434	1.6
116.06218	0.5
117.07034	3.8
119.04949	1.3
119.08615	3.2
121.06496	3.4
121.10144	1.6
123.04418	3.5
123.08061	2.0
123.11702	1.1
125.06048	0.5
127.03938	0.8
131.04924	1.9
131.08553	0.9
133.06506	1.0
133.10144	2.0
135.08076	1.3
135.11687	1.2
136.05171	0.7
137.06000	3.0
137.13205	0.7
139.03906	1.5
143.08527	0.6
145.02904	0.5
145.06512	1.3
145.10101	0.6
146.07268	4.7
147.04437	1.0
147.08055	0.9
147.11624	0.7
149.06001	0.8
149.09631	0.8
151.03917	0.8
151.07556	25.5
152.07874	0.6
153.05463	0.7
155.03383	1.3
157.10136	0.7
159.08032	0.7
159.11739	0.6
161.05988	1.2
161.13266	1.8
162.06795	2.7
163.07509	0.9
165.09172	0.5
167.07053	1.8
171.08055	0.8
172.03958	0.5
174.04457	0.5
175.07568	1.9
177.09117	100.0
178.09431	2.4
179.07104	4.2
179.08534	0.7
179.10574	0.8
179.14322	1.4
181.04953	1.3
183.08072	0.6
195.08534	0.5
195.10149	2.6
197.06236	0.9
197.08109	17.4
197.11737	0.7
198.08456	1.0
203.10602	0.6
205.06735	0.5
206.07172	0.8
210.06723	0.8
213.16151	0.6
221.09691	0.8
221.11725	6.9
223.07512	0.7
237.09096	0.6
249.09077	0.6
253.08574	1.5
253.12202	0.5
255.10124	0.5
265.08469	0.8
266.09402	0.7
267.10110	0.7
268.07407	0.5
269.08197	1.1
281.11685	0.9
283.09732	1.1
285.10919	0.6
295.09738	0.6
297.07617	0.5
300.09839	0.5
313.10727	5.3
313.14392	2.9
327.12122	1.4
331.15582	1.4
341.13745	2.7
359.14883	9.8
359.21936	0.6
360.15192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1704
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.62807	0.5
57.03433	1.2
61.02932	1.3
65.17346	0.5
66.12434	0.6
69.03439	3.9
70.48368	1.9
71.04989	0.8
71.49037	0.6
73.02930	1.0
79.05507	1.4
81.03408	1.0
81.07052	1.5
85.02922	8.7
86.09718	1.4
87.91727	0.5
91.05490	3.6
93.07062	4.6
97.02885	1.1
99.04427	0.9
105.07037	6.5
107.08604	29.1
108.08911	0.8
109.06507	1.6
109.10175	1.1
119.04962	0.7
119.08601	4.4
121.10160	4.5
123.11707	0.7
127.03934	1.4
131.08539	0.7
133.10144	19.0
137.06017	1.2
137.09673	0.8
139.07521	1.3
143.08551	0.9
145.05000	0.7
146.07358	0.7
149.09636	3.6
151.07565	1.2
151.11201	7.2
161.09636	4.4
167.10686	12.3
179.10692	14.4
184.34154	0.6
197.11755	100.0
198.12083	2.2
203.05249	1.4
359.16861	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	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.16287	0.7
53.03938	2.0
55.01856	1.7
55.05490	3.0
55.05730	0.6
56.96567	0.9
57.03418	2.7
59.04977	1.0
61.02925	4.4
67.05504	1.3
69.03085	0.7
69.03428	9.2
69.07047	1.7
70.06577	0.9
71.04983	1.7
71.58833	1.1
72.08153	25.0
73.02898	2.0
79.05473	2.5
81.03436	3.5
81.07056	3.7
83.06084	0.9
84.04493	2.4
84.08126	1.1
85.02905	26.4
86.06084	1.2
86.09711	5.7
87.04467	1.4
89.14936	0.7
91.03933	1.3
91.05459	5.0
91.31118	0.7
93.07041	5.8
95.04955	2.6
95.08590	2.2
96.84699	0.7
97.02896	7.6
97.06529	4.3
99.04440	2.1
103.05450	3.2
105.07028	7.0
107.04936	0.9
107.08591	41.2
109.02869	3.0
109.06506	3.3
109.10151	6.3
111.04412	0.9
112.22221	0.7
114.05592	0.8
116.07052	0.8
116.98646	0.7
117.10233	3.6
119.08567	3.3
121.06471	1.5
121.10134	2.5
123.08062	1.2
123.11722	1.8
127.03923	6.5
127.07537	2.4
130.06508	1.2
131.04930	8.1
132.10197	1.3
133.10126	19.7
134.10519	0.8
135.11688	6.2
137.05983	5.2
137.09595	5.5
139.07553	0.9
142.03195	3.6
143.08502	1.1
145.04951	6.0
147.04396	2.6
149.09605	1.3
151.07489	1.2
151.11162	5.4
157.07565	1.9
161.09596	6.9
163.07547	2.8
167.10703	4.9
170.02682	1.2
177.05478	1.5
179.07066	1.6
179.10669	22.9
183.11246	1.0
197.08081	5.7
197.11725	100.0
198.12086	2.2
210.03175	0.9
211.10815	2.0
228.13487	6.1
242.15022	2.3
243.13445	2.0
245.05869	1.5
260.16003	1.3
290.35193	0.8
359.12448	1.1
359.16901	10.7
359.22766	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01870	1.7
55.05518	1.2
56.96564	1.0
57.03415	2.5
59.04992	1.6
61.02913	2.5
67.01833	0.7
67.05495	1.9
69.03428	6.8
69.07043	1.9
70.06587	2.1
71.04971	1.6
71.32689	2.0
72.08147	6.4
73.02905	1.1
75.92454	0.7
79.05484	2.2
81.03410	3.5
81.07041	2.9
83.04981	1.0
83.06083	1.2
84.04512	1.4
84.08126	0.7
85.02898	27.5
86.09706	10.8
91.03965	1.4
91.05472	6.3
93.07043	8.7
95.04957	3.0
95.08597	1.7
97.02879	7.4
98.97569	2.1
99.04475	0.8
103.05435	0.8
105.07027	8.5
107.04980	0.8
107.08588	17.1
109.02850	2.7
109.06476	2.0
109.10140	1.7
110.24555	0.7
113.05984	0.8
116.98674	0.9
119.04910	1.6
119.08564	3.2
121.06515	2.7
123.04414	2.0
123.08009	0.9
123.11679	1.1
127.03921	5.6
131.04897	2.1
132.04393	1.0
133.10132	20.7
135.11697	17.5
137.05962	4.1
137.09636	1.5
145.04984	3.9
147.04373	2.8
147.08014	1.0
151.07573	1.5
151.11171	3.2
160.05190	0.8
161.05981	1.5
161.09602	12.4
163.03925	1.4
163.07518	1.2
175.07536	2.5
177.05344	1.7
179.07051	1.6
179.10664	35.0
180.11028	1.5
182.12823	0.7
183.11287	0.9
187.07489	1.0
189.12489	0.8
191.07111	1.1
197.08104	3.5
197.11728	100.0
198.12035	3.9
200.14069	1.4
203.07130	1.4
208.93611	0.7
209.08115	2.9
211.10756	0.9
221.08090	2.9
228.13475	3.8
235.09630	0.8
239.09163	2.5
246.14482	0.9
257.08035	1.2
263.09125	3.7
275.09171	3.4
287.09210	1.5
305.10196	1.1
345.13055	2.8
359.17068	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	359.1337
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
51.57185	0.2
53.03933	0.5
54.39556	0.2
55.01871	0.3
57.03418	0.6
61.02905	0.2
67.05492	0.6
68.99794	0.4
69.03433	0.7
70.20110	0.4
70.20500	0.4
71.04597	0.3
71.04989	3.5
72.10891	0.2
81.07043	0.7
85.02911	1.7
85.06535	0.7
86.09718	0.3
91.05476	0.3
93.07017	0.4
95.04963	1.9
95.08568	0.2
97.02863	0.5
97.93826	0.2
98.20862	0.3
103.63129	0.2
105.06995	0.5
109.02876	0.4
109.06513	1.2
111.04422	0.3
111.08081	0.6
113.05231	0.4
113.06004	6.9
115.05482	0.3
119.04894	0.3
123.04425	13.8
123.08089	0.2
127.03908	1.3
131.04915	0.2
133.06468	1.0
137.05965	1.3
139.03897	6.3
145.04942	0.2
147.04454	0.2
151.03909	0.8
151.07538	5.5
153.05450	0.7
155.03383	9.2
155.06982	0.8
161.05910	1.0
175.07495	0.4
179.07033	19.3
180.07370	0.4
197.08086	100.0
198.08409	1.9
202.75688	0.2
203.06931	0.2
209.08104	0.3
234.76292	0.2
262.13599	0.2
263.09067	0.3
275.09180	0.4
309.27350	0.2
359.14398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1335
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
50.15781	0.4
53.03926	1.0
55.05505	0.5
57.03440	0.7
59.02550	0.4
61.02919	0.6
65.03912	0.5
67.05492	1.6
69.03435	2.1
69.07053	1.2
71.04987	4.3
71.59861	0.8
73.27628	0.4
79.05484	1.2
81.03409	1.7
81.07053	2.8
83.04978	0.7
83.08614	0.5
85.02904	2.4
85.06535	1.0
91.05470	1.2
93.07039	1.9
95.04971	3.0
95.08610	2.5
97.02901	0.8
97.06538	1.0
99.04420	0.5
103.05437	0.5
105.07024	1.7
107.08600	1.1
109.02846	0.4
109.06497	1.5
109.10155	0.8
111.01597	0.4
111.04385	0.5
111.08094	1.1
113.06004	6.7
117.06986	0.7
119.08559	1.8
121.06470	0.8
121.10118	0.5
123.03569	0.8
123.04430	13.5
123.08049	0.7
127.03873	1.8
131.04912	0.6
131.08536	0.7
133.06485	0.9
133.10159	0.8
135.08034	0.4
135.11679	0.4
137.05980	1.1
139.03893	5.5
143.08585	0.4
145.04955	0.8
145.10136	0.9
147.04428	0.5
151.03915	1.4
151.07544	5.8
151.08696	0.7
153.05522	0.7
155.03384	7.9
155.07053	0.8
157.10088	0.5
159.11597	0.6
161.05957	1.1
161.13231	1.1
173.11760	0.5
173.13214	0.7
175.07545	0.8
179.05458	0.8
179.07042	17.1
179.14383	0.7
180.07236	0.4
190.03398	0.4
197.08096	100.0
198.08397	2.6
202.59525	0.4
209.08043	0.8
221.08110	1.0
239.09111	0.7
263.09219	1.3
275.09064	0.9
305.10156	0.4
305.17551	0.7
323.18466	1.4
331.08228	0.5
341.19839	0.9
359.14996	0.5
359.22134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1338
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.03935	0.6
55.01867	0.5
55.05499	1.1
57.03446	1.7
66.15906	0.4
67.05493	1.6
68.99786	0.6
69.03429	1.0
69.07064	1.7
69.60532	0.3
69.85734	0.4
70.86217	0.8
71.04993	3.9
73.02891	0.4
79.05476	1.0
81.07059	4.7
83.03891	0.3
83.08623	0.9
85.02907	1.9
85.06528	1.1
91.05484	1.3
93.07043	2.3
95.04976	2.9
95.08598	4.5
97.02905	2.0
97.06544	0.9
97.10167	1.0
99.04435	0.7
105.07007	1.3
107.08625	2.0
107.57585	0.5
109.02885	0.9
109.06513	1.1
109.10175	0.8
111.08090	1.1
112.93453	0.3
113.06004	7.0
119.08575	1.3
121.10129	1.2
123.04433	15.9
123.08057	0.3
123.11733	1.7
124.04695	0.4
127.03931	3.3
133.06490	0.7
133.10132	0.9
135.11696	0.7
137.05986	0.9
137.13303	0.7
139.03906	6.8
149.13289	1.0
151.03932	1.1
151.07544	5.9
153.05516	0.6
155.03392	8.3
155.07030	0.7
161.06006	1.5
161.13248	1.5
179.07047	20.2
179.14302	1.2
180.07426	0.6
191.07051	0.4
197.08096	100.0
198.08388	2.2
235.38951	0.4
246.46362	0.4
263.09015	0.5
293.24753	0.5
297.07996	0.4
305.24823	1.0
323.26053	0.5
359.14981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1335
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.03928	0.8
55.05488	0.5
57.03431	0.8
65.03938	0.5
65.64986	0.4
67.05482	1.2
68.99767	0.5
69.03404	0.9
69.07051	0.8
70.26581	0.4
70.40155	1.7
71.04987	3.7
79.05484	1.4
81.03394	0.7
81.07046	2.1
83.04958	0.8
85.02911	2.1
85.06523	1.0
86.09695	0.5
91.05461	1.6
93.07029	1.5
95.04961	2.4
95.08585	1.7
95.23127	0.4
97.02918	1.2
97.06502	0.6
97.10149	0.4
101.97366	0.4
105.07007	1.5
107.08587	1.2
109.02887	0.5
109.06509	1.9
109.10155	1.0
111.04479	0.4
113.06008	6.2
118.14534	0.4
119.04889	0.6
121.06494	0.4
121.10141	1.4
123.03570	0.8
123.04427	13.4
123.05323	0.7
127.03921	1.8
131.04918	0.7
131.08575	0.6
133.06482	1.1
133.10127	0.8
134.00099	0.4
135.11665	0.7
137.05974	1.0
139.03908	6.1
145.10088	0.5
147.04384	1.4
149.13222	0.4
151.03880	1.0
151.07544	5.4
153.05498	0.8
155.03386	7.1
155.07027	1.2
157.10069	0.6
161.05965	1.2
163.03891	1.0
167.10310	0.4
175.07486	0.5
179.05455	0.9
179.07033	17.5
197.08092	100.0
198.08420	2.0
206.66524	0.4
209.08055	1.1
221.08096	0.9
239.09180	1.2
253.00810	0.4
257.08148	0.6
263.09134	1.4
275.09192	0.8
305.10257	0.6
305.24945	0.5
341.21268	0.5
359.18219	0.5
359.22122	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1337
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.03930	0.8
55.05505	1.1
57.03417	1.3
59.04129	0.5
67.05494	2.2
68.99770	0.8
69.03432	3.0
69.07045	1.0
70.66492	1.1
70.66850	1.7
71.04993	4.4
76.13761	0.6
79.05501	2.1
81.03408	2.4
81.07066	4.7
83.04950	1.2
83.08600	0.7
85.02890	3.4
85.06542	1.7
89.27086	0.6
91.05468	3.0
93.07034	2.5
95.04983	3.2
95.08605	3.9
97.02877	1.6
97.06516	1.0
97.10191	0.7
103.05489	0.8
105.07024	2.8
107.08604	0.9
109.02872	1.3
109.06494	2.3
109.10143	1.9
111.08071	1.8
113.06002	7.0
114.26646	0.6
117.06983	0.8
119.08564	2.7
121.10169	1.2
123.04424	12.5
123.08046	1.2
127.03911	2.6
131.04938	1.3
131.08566	0.7
133.06488	1.1
133.10191	1.5
135.07974	0.6
135.11707	0.9
137.05988	1.2
139.03917	5.2
145.10120	0.8
147.04356	0.9
150.03168	0.8
151.03986	0.8
151.07553	6.8
153.05479	1.1
155.03374	7.8
155.07030	1.1
161.13240	1.9
173.11961	0.7
175.07545	0.9
179.07047	19.2
179.14354	1.0
191.07045	0.8
197.08098	100.0
198.08513	1.9
200.88029	0.7
203.07004	0.8
209.08109	1.3
221.08076	1.9
239.09167	2.0
263.09058	1.7
275.09116	1.4
287.08862	0.7
305.17426	1.1
305.24796	0.7
323.11295	0.9
323.18594	2.1
341.19635	1.4
359.14902	1.3
359.22180	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1335
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
55.01864	0.6
55.05515	0.4
57.03425	1.0
67.05499	1.0
68.99783	0.8
69.03407	0.8
69.07085	0.4
71.04993	4.7
71.59847	0.6
79.05490	0.5
81.07043	1.3
85.02905	2.2
85.06538	0.9
91.05472	1.1
93.07039	0.8
95.05006	2.1
95.08600	0.5
97.02917	0.8
105.07031	1.4
107.08614	0.7
109.02888	0.7
109.06525	1.4
109.10151	0.5
111.00763	0.5
111.08084	1.0
113.06017	7.8
115.05506	0.5
117.07027	0.6
119.08602	0.8
123.03559	0.8
123.04434	14.8
127.03905	2.0
133.06567	0.9
137.06003	0.8
139.03908	7.6
143.08582	0.4
145.10155	0.5
147.04413	1.1
147.08015	0.6
151.03893	1.5
151.07549	5.9
153.05443	0.8
155.03404	8.3
155.07060	1.1
161.05981	1.4
161.09569	0.5
163.07664	0.4
168.56483	0.4
175.07503	1.0
179.07053	19.4
191.07047	1.0
193.04993	0.5
197.08101	100.0
198.08456	1.3
203.07047	1.1
209.08200	2.0
217.69705	0.4
219.47849	0.5
221.08052	2.6
235.06017	0.4
239.09166	2.0
248.95308	0.4
254.97342	0.4
257.08240	1.0
263.09201	3.0
275.09256	1.9
285.74762	0.4
287.09036	0.6
293.10178	0.5
305.10233	1.1
323.11163	0.6
359.22021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1334
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
51.20996	0.4
53.33563	0.4
53.34568	0.5
53.78134	0.4
57.03433	0.7
69.03406	0.6
69.28440	2.4
69.28874	2.7
71.04996	3.0
84.99514	0.4
85.02898	1.5
85.06538	1.1
93.06996	0.5
95.04965	1.6
97.02901	0.6
98.21487	1.1
109.06496	1.0
113.06007	6.5
123.04430	11.0
127.03948	0.6
139.03889	5.3
149.80540	0.5
150.02998	0.6
151.03886	0.9
151.07530	5.2
153.01799	0.6
153.05432	0.8
155.02266	0.7
155.03403	7.2
161.05974	0.9
176.21782	0.5
179.07039	18.6
194.11716	0.5
197.08092	100.0
198.08449	1.0
203.07088	0.8
207.53728	0.4
209.08138	0.7
221.08162	0.8
223.61708	0.5
236.04143	0.4
246.48161	0.5
258.21262	0.4
267.92642	0.5
275.09152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1335
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01860	2.4
57.03434	3.0
58.57694	0.9
61.02923	3.6
67.05490	1.8
69.03427	4.9
69.07082	1.7
70.30016	4.3
71.04993	6.8
75.64567	0.9
76.27147	0.9
79.05482	1.5
81.03421	3.0
81.07027	5.0
85.02894	15.8
85.06558	1.1
86.09702	11.9
87.04498	1.1
87.10040	2.5
91.05459	2.4
93.07031	2.4
95.04958	2.6
95.08621	2.6
97.02869	5.8
99.04486	1.5
103.03941	1.0
105.07037	2.9
106.64800	1.0
107.04945	1.6
107.08643	1.4
109.02862	2.3
109.06494	1.5
109.10194	1.0
113.05982	6.1
117.06944	1.0
119.08604	1.5
123.04424	13.3
127.03949	3.7
131.04861	1.4
133.06458	2.6
137.05969	22.4
139.03894	6.1
145.04988	3.2
145.06483	1.5
147.04408	10.3
147.08043	4.3
151.03885	2.4
151.07571	4.1
153.05453	1.6
155.03383	6.0
161.05986	3.6
167.07184	1.1
175.07545	8.7
176.94453	1.4
179.07042	18.4
185.06024	1.1
187.07529	1.1
189.05493	1.9
189.09093	1.5
191.07072	7.5
193.05023	1.5
197.08095	100.0
198.08362	1.3
199.18051	2.0
200.18327	2.5
203.06996	7.2
209.08078	13.8
215.07013	2.2
217.05081	2.0
217.08632	2.7
221.08086	17.6
228.17975	1.6
229.08559	1.6
233.08121	3.0
235.06041	1.3
235.09758	3.0
239.09151	18.3
241.08575	1.1
245.08136	1.9
257.08087	6.1
259.09528	1.2
263.09137	21.2
269.08063	3.1
275.09131	16.7
287.09055	7.7
293.10300	2.5
305.10248	6.6
307.78793	1.2
323.11209	4.7
341.12183	1.7
359.07544	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	10.5
56.96560	17.4
65.50658	6.1
67.05509	37.3
69.07056	13.8
71.60724	11.8
79.05501	22.8
81.03448	9.1
81.07055	33.5
83.08614	6.7
91.05489	29.2
93.07033	22.9
95.04987	11.6
95.08624	37.0
97.02934	6.6
97.06527	6.9
98.97591	7.2
99.08102	7.3
105.07008	35.7
107.04956	11.7
107.08588	35.5
109.06531	10.2
109.10174	29.0
111.04424	11.6
117.07025	12.2
119.08608	40.3
121.10141	20.4
131.08591	16.2
133.10156	35.1
135.04410	21.4
135.08047	10.9
135.11667	10.3
136.04791	13.7
137.05936	9.2
137.09683	7.9
143.08557	7.0
145.10117	19.2
147.11696	12.9
151.07539	9.0
151.34831	6.6
157.10133	8.6
159.11705	12.5
161.13239	7.7
163.11174	12.2
167.10744	8.5
168.77448	7.9
173.13310	9.4
175.07649	8.2
176.07947	11.3
185.13257	6.9
199.14847	11.7
253.19522	8.1
271.84369	7.7
299.19754	32.2
307.05527	7.3
317.21146	100.0
358.17078	10.2
358.20493	12.6
358.24097	12.8
359.22116	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	358.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32925	4.2
55.05507	7.0
56.04724	3.9
65.64094	4.7
67.05495	11.1
69.07069	12.4
69.44202	9.9
69.44611	28.1
70.06581	4.9
71.04996	5.5
72.08148	16.6
79.05497	16.3
81.03423	4.4
81.07051	20.5
85.02911	4.3
86.09711	14.3
91.05462	22.7
93.07049	19.1
95.04939	7.9
95.08604	18.8
97.02905	5.7
98.97588	7.0
105.07035	15.7
107.04971	11.0
107.08582	17.8
109.06538	6.0
109.10160	8.0
116.98622	5.7
119.08576	20.5
120.08083	5.1
121.06550	4.7
121.10197	8.8
131.04900	4.4
131.08572	9.8
133.10132	10.3
135.08046	5.4
137.05977	12.5
137.13324	5.7
145.02875	5.1
145.10114	9.2
146.09647	12.0
147.11719	11.8
148.11198	33.2
149.05923	6.5
157.10152	5.9
159.11713	4.8
170.99751	5.8
173.04417	6.7
177.05481	14.4
178.05864	4.2
192.06638	4.0
199.14926	4.5
275.08868	5.9
277.12125	3.9
308.10077	6.1
315.51587	4.5
317.21094	100.0
318.21539	7.2
338.82153	3.9
340.12488	8.0
358.13425	5.4
358.23660	38.1
359.14890	7.2
359.23520	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	358.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45800	4.0
54.96508	3.8
55.01856	5.0
55.05496	5.2
57.07048	4.8
67.05497	11.3
69.03414	5.4
69.07073	7.6
69.37965	36.0
69.38374	11.3
70.06600	5.7
72.08146	5.6
79.05488	8.0
79.15717	4.4
79.99731	3.8
81.07050	18.5
86.09696	6.7
91.05476	11.4
91.30058	4.1
93.07034	8.2
95.05009	5.2
95.08606	20.5
105.07024	15.4
106.08828	5.2
107.08606	25.2
109.06544	5.7
109.10197	4.1
111.04449	4.6
119.08586	27.7
121.06542	5.5
121.10112	10.4
122.03579	4.7
128.95064	5.0
131.08600	7.2
133.10138	12.1
135.08044	7.5
136.37720	4.7
137.05995	63.2
138.06325	34.9
144.83270	5.7
145.10036	5.1
151.03883	6.2
151.07516	6.7
159.11684	8.8
172.09702	9.2
173.13249	6.1
177.09077	8.4
179.07083	7.8
199.14774	4.1
241.90140	4.1
288.62668	4.8
299.20160	7.3
312.18484	4.2
317.21164	72.1
340.12903	5.3
358.13782	32.4
358.19138	100.0
358.23703	26.5
359.19275	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2376
Annotation	Spiradine G
Peak:m/z	Relative Intensity
55.05498	10.2
59.28388	5.6
60.63321	6.1
67.05495	18.5
69.07069	19.9
70.50694	27.3
74.77731	6.7
78.26675	7.0
79.05497	14.8
81.07053	24.2
89.00502	6.3
91.05489	11.5
93.07026	13.3
95.04947	8.8
95.08610	29.5
97.06532	6.2
105.07037	15.1
107.08558	15.7
109.10146	16.3
111.04456	7.9
113.03276	5.8
119.08587	37.5
121.10131	12.7
131.00331	7.9
131.08562	25.3
133.10123	20.7
145.10106	19.2
147.11713	8.7
157.10184	13.2
159.11732	12.3
161.13351	9.9
167.02351	7.6
171.11664	9.9
173.13264	10.8
197.13306	8.0
199.14941	9.9
212.70486	7.5
253.19510	10.9
259.16702	15.9
261.14838	7.4
298.21683	26.1
299.20105	25.7
316.22809	12.4
317.21155	52.6
358.16534	15.3
358.23743	100.0
359.23956	9.0
374.62589	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	358.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.7
56.87103	1.9
59.50127	1.9
63.47269	1.6
67.05485	5.9
67.50995	1.8
69.07056	4.4
70.39734	4.0
70.40123	3.5
71.04969	2.6
73.66946	1.7
76.00232	1.8
79.05476	6.5
81.07050	8.5
83.04993	2.0
85.02914	3.2
91.05466	12.8
93.07041	13.4
95.04968	4.0
95.08599	14.5
103.86989	1.8
105.07000	13.0
107.08577	15.6
109.06482	6.7
109.10171	7.9
111.04446	3.1
111.08140	2.4
117.06982	3.6
119.08577	25.2
121.10141	8.2
123.04434	2.2
123.08086	2.7
123.11719	2.7
129.07002	2.1
131.08559	7.8
133.10136	13.4
135.08051	7.2
135.11632	2.3
137.05962	6.7
143.08551	4.1
144.06438	2.1
145.10094	14.2
147.11719	2.4
148.08760	2.3
150.06390	2.1
151.07483	2.2
157.10126	6.0
159.11719	6.8
161.13281	2.8
171.11639	5.3
173.13271	3.7
175.14867	2.4
183.11682	3.5
185.13211	2.2
187.14949	3.1
191.10640	2.0
197.08058	3.8
199.14662	2.5
201.16331	3.2
225.12752	2.4
281.18997	2.6
299.20056	8.4
301.98199	1.9
317.21109	100.0
318.21414	7.4
358.13300	3.1
358.23837	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.7
57.07063	10.6
67.05509	22.3
69.07059	32.3
69.31008	100.0
72.74584	8.1
79.05518	11.5
81.07066	21.2
82.58811	9.1
89.59887	8.0
91.05496	16.4
93.07044	11.6
95.08614	42.4
96.04190	8.4
97.06505	17.5
98.20782	15.6
105.07044	16.7
105.29584	8.3
107.08582	19.6
109.10168	31.1
111.08082	7.9
119.08606	47.8
123.11659	11.5
123.37403	8.6
129.09154	37.7
133.10133	21.4
137.09566	9.6
157.10136	11.7
178.22766	9.8
240.69669	8.1
256.26410	11.4
259.16772	74.4
275.19730	9.6
279.47308	8.7
299.20032	38.5
317.21082	94.9
358.16373	9.6
358.23923	11.7
358.33249	48.8
359.22018	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	358.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04517	1.1
61.18856	0.7
66.72432	0.7
67.05495	2.6
69.03430	1.0
69.07058	1.8
71.04993	1.0
71.59239	0.8
72.08158	4.2
73.77985	0.8
79.05486	3.1
80.05010	0.8
81.07047	3.7
84.04491	1.4
85.02905	1.1
86.09709	9.2
91.05478	3.8
93.07047	2.8
95.04952	1.1
95.06083	3.4
95.08602	3.1
102.59386	0.7
103.05432	0.9
105.07034	2.3
107.04932	2.1
107.08592	6.2
109.06505	1.5
109.10139	1.9
111.04495	0.9
117.07003	3.1
119.04962	0.7
119.08556	3.6
121.06501	3.3
121.10154	1.4
122.90620	0.9
123.08036	1.3
125.09547	0.7
131.04900	1.3
133.10152	2.0
135.08015	1.1
135.11674	1.8
136.05231	0.9
137.05994	4.1
145.06430	1.4
146.07271	3.9
146.11763	1.5
147.04494	0.9
147.08000	1.5
147.11652	1.1
149.05954	1.0
149.09604	1.5
151.07547	26.4
157.10069	0.9
159.11670	1.3
160.05103	1.1
161.05972	1.0
162.06752	3.1
163.07423	0.7
165.39915	0.8
167.07056	0.8
171.08015	0.8
172.03870	1.8
173.04288	2.2
174.10275	2.7
175.07593	4.0
176.07864	3.3
177.09105	100.0
178.09514	0.8
185.16534	3.6
195.10124	3.1
204.06569	2.4
205.06880	4.0
213.15985	1.5
216.47803	0.8
221.11728	7.1
225.79794	0.7
250.09529	0.8
266.08725	0.9
279.10052	0.7
291.12631	0.7
296.21161	0.9
309.14517	0.9
312.13107	0.9
314.22250	1.2
317.21118	20.6
317.99713	0.8
318.21600	1.2
352.77689	0.8
358.13690	1.9
358.17230	1.8
358.20764	1.1
358.29434	1.2
359.14731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05315	4.4
55.05500	7.9
56.96576	4.1
59.65135	4.2
61.14279	3.9
67.05514	11.7
69.07063	9.1
69.37354	41.0
69.87032	3.8
71.05007	5.4
79.05493	10.8
81.07067	11.0
83.08626	4.4
85.02884	4.9
88.27233	3.8
91.05466	10.6
93.07037	10.6
95.08614	9.3
97.06551	19.1
105.06978	6.1
107.08612	25.2
109.06519	7.5
109.10158	9.2
119.08601	15.1
121.10164	9.6
131.08583	7.3
134.15112	4.5
135.08018	6.4
135.11746	5.9
143.08636	4.8
145.10168	11.8
145.56868	4.1
149.09612	4.9
159.11694	6.1
169.10139	4.0
175.07574	4.6
190.98180	4.4
245.22112	4.3
258.68619	4.2
317.21149	100.0
318.21552	6.0
358.23770	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03956	5.7
55.05505	59.9
56.70654	4.7
57.03423	16.0
57.07079	39.7
59.14480	4.5
67.05504	64.4
69.06721	8.4
69.07066	100.0
71.04987	4.8
71.08640	25.6
71.17339	13.6
75.01436	4.4
75.04430	5.4
75.11563	4.2
79.05486	36.6
81.07057	77.2
83.08620	73.9
85.10184	11.7
88.00733	4.5
93.07040	44.4
95.08604	82.1
97.06528	34.6
97.10168	39.1
103.03914	6.0
107.08593	48.4
109.00766	5.3
109.10153	51.3
111.08074	15.8
111.11724	13.3
121.10143	80.6
123.11707	15.1
125.09703	7.4
135.11691	63.5
137.13280	12.8
139.11162	5.1
149.13277	30.7
151.14799	13.7
153.07913	5.2
153.12730	7.8
163.14868	11.5
165.16422	9.7
177.16394	6.3
191.17879	8.0
247.24245	90.4
265.25284	95.5
275.16269	5.4
283.26364	7.5
339.28979	69.8
353.23566	5.4
357.29999	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	357.2999
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.13181	3.0
52.78259	3.3
54.54159	3.4
55.01878	4.3
55.05512	69.0
55.06570	3.0
55.42541	3.5
57.03430	15.0
57.07082	38.9
67.05171	6.5
67.05505	78.6
69.07070	100.0
71.05003	4.5
71.08626	21.8
79.05488	39.1
79.37080	3.6
81.07058	89.8
82.63781	3.2
83.04955	5.3
83.08622	75.2
84.27370	3.2
85.06517	3.8
85.10184	17.6
88.07649	4.6
91.05502	8.2
93.07047	58.6
95.04972	4.6
95.08607	77.8
97.06535	27.6
97.10176	52.2
103.03970	4.6
105.07059	7.2
107.08595	43.8
108.85168	3.2
109.10158	53.3
109.14883	3.6
109.70182	3.1
111.08073	12.4
111.11707	15.4
119.08582	6.8
121.09323	6.4
121.10146	88.6
123.11737	20.5
125.09644	7.5
133.10129	4.4
135.11694	67.1
137.13223	7.6
139.11212	8.4
143.14314	3.5
145.10191	3.6
148.08917	3.2
149.13239	32.3
151.14772	8.8
153.12798	4.9
163.14819	15.0
165.16422	9.3
167.14282	4.4
171.11728	4.2
177.12680	3.5
177.16365	9.4
181.15778	3.4
190.49905	3.5
191.17921	7.5
199.16867	4.0
247.24220	80.7
265.25272	96.4
266.25821	4.7
283.26160	6.3
317.20941	9.6
339.28946	70.6
357.24411	20.4
357.28738	5.6
357.30865	6.3
357.35519	40.9
358.23956	5.2
358.36655	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	357.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.2
56.96572	2.1
67.05513	3.4
70.24767	3.5
70.25119	8.7
79.05480	3.2
81.07039	4.0
91.05465	7.9
93.07045	4.2
94.34442	1.7
95.08606	3.5
98.21420	3.0
103.05449	4.8
105.07039	5.5
107.04937	5.6
107.08622	2.7
109.10175	3.5
115.05440	6.7
117.07048	3.9
119.08561	3.0
120.21167	1.8
121.06493	4.3
121.10144	2.3
129.07031	2.8
130.04152	2.9
131.04938	7.9
131.08611	2.7
132.05699	3.5
133.06467	2.8
134.99696	2.9
135.08012	2.9
136.05199	5.9
137.05965	7.8
141.06946	2.8
145.06508	6.0
145.10139	3.3
146.07227	6.5
147.08052	3.5
149.06027	2.4
151.07538	30.4
157.06490	1.9
160.05205	27.7
161.05986	5.9
161.09630	1.9
163.02806	4.1
163.07536	11.1
165.09113	3.6
169.06505	3.3
175.07555	100.0
176.08286	5.2
177.09113	39.0
181.03868	3.0
199.75171	1.7
201.09061	3.4
207.08032	2.1
208.08800	2.9
219.08121	3.0
219.10208	5.6
221.09718	4.6
223.07542	2.0
233.09657	3.3
235.07549	4.9
236.08377	3.7
237.09119	3.6
238.09962	2.8
239.06825	1.6
239.10855	2.4
247.07562	2.6
248.11993	5.1
249.09044	7.2
250.09680	2.8
251.10696	6.3
253.08572	3.3
255.10153	2.3
261.09106	3.9
263.10767	2.5
264.07886	2.1
264.11502	2.8
265.08603	4.9
265.12405	2.5
266.09515	2.4
267.10202	3.4
275.10687	3.8
276.11163	2.5
277.08734	2.1
277.11877	2.2
279.10168	7.3
279.13776	4.4
280.11020	5.0
281.08377	1.8
281.11710	6.8
282.12509	3.3
283.09674	7.5
291.75491	1.8
292.10995	2.8
293.11740	7.4
295.13208	1.9
296.10260	4.7
298.12079	6.6
307.13290	9.7
308.14059	6.0
309.11279	2.7
311.12823	21.7
313.14328	13.6
324.13327	2.8
325.14383	5.7
326.15042	16.5
339.15903	15.7
357.12738	2.9
357.16949	37.9
357.20660	3.4
357.24167	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1696
Annotation	Fragransol C
Peak:m/z	Relative Intensity
55.05508	2.2
56.96572	2.1
67.05513	3.4
70.24767	3.5
70.25119	8.7
79.05480	3.2
81.07039	4.0
91.05465	7.9
93.07045	4.2
94.34442	1.7
95.08606	3.5
98.21420	3.0
103.05449	4.8
105.07039	5.5
107.04937	5.6
107.08622	2.7
109.10175	3.5
115.05440	6.7
117.07048	3.9
119.08561	3.0
120.21167	1.8
121.06493	4.3
121.10144	2.3
129.07031	2.8
130.04152	2.9
131.04938	7.9
131.08611	2.7
132.05699	3.5
133.06467	2.8
134.99696	2.9
135.08012	2.9
136.05199	5.9
137.05965	7.8
141.06946	2.8
145.06508	6.0
145.10139	3.3
146.07227	6.5
147.08052	3.5
149.06027	2.4
151.07538	30.4
157.06490	1.9
160.05205	27.7
161.05986	5.9
161.09630	1.9
163.02806	4.1
163.07536	11.1
165.09113	3.6
169.06505	3.3
175.07555	100.0
176.08286	5.2
177.09113	39.0
181.03868	3.0
199.75171	1.7
201.09061	3.4
207.08032	2.1
208.08800	2.9
219.08121	3.0
219.10208	5.6
221.09718	4.6
223.07542	2.0
233.09657	3.3
235.07549	4.9
236.08377	3.7
237.09119	3.6
238.09962	2.8
239.06825	1.6
239.10855	2.4
247.07562	2.6
248.11993	5.1
249.09044	7.2
250.09680	2.8
251.10696	6.3
253.08572	3.3
255.10153	2.3
261.09106	3.9
263.10767	2.5
264.07886	2.1
264.11502	2.8
265.08603	4.9
265.12405	2.5
266.09515	2.4
267.10202	3.4
275.10687	3.8
276.11163	2.5
277.08734	2.1
277.11877	2.2
279.10168	7.3
279.13776	4.4
280.11020	5.0
281.08377	1.8
281.11710	6.8
282.12509	3.3
283.09674	7.5
291.75491	1.8
292.10995	2.8
293.11740	7.4
295.13208	1.9
296.10260	4.7
298.12079	6.6
307.13290	9.7
308.14059	6.0
309.11279	2.7
311.12823	21.7
313.14328	13.6
324.13327	2.8
325.14383	5.7
326.15042	16.5
339.15903	15.7
357.12738	2.9
357.16949	37.9
357.20660	3.4
357.24167	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1697
Annotation	Fragransol C
Peak:m/z	Relative Intensity
51.48689	0.7
55.01879	1.0
55.05497	0.8
59.54618	0.6
67.05512	1.8
68.13594	0.7
69.03432	1.2
71.61543	0.8
71.61909	1.1
79.05497	1.5
81.07072	2.2
83.08601	1.1
85.02959	0.9
91.05473	3.8
93.07069	0.9
95.04958	1.3
97.02885	0.9
97.06581	0.8
102.04636	1.0
103.05467	2.7
104.06175	0.8
105.07040	3.4
107.04949	6.6
107.08599	1.4
108.05772	1.0
109.10150	1.3
111.04463	1.0
115.05466	5.4
117.07021	3.1
119.04968	0.8
119.08604	1.4
120.01876	1.9
121.06473	3.9
121.10212	0.8
123.08105	1.1
128.06209	1.0
129.06961	0.8
130.04141	2.2
131.04922	5.4
131.08598	1.6
132.05707	3.5
133.06493	2.4
135.04417	1.3
135.08057	1.1
136.05199	5.3
137.05981	12.7
139.03903	1.7
141.07008	2.2
145.06505	4.3
146.07243	4.2
147.04430	0.9
147.08047	2.5
150.06657	0.9
151.03972	1.5
151.07547	24.5
158.07236	1.0
159.08057	1.1
160.05214	20.5
161.06050	4.1
162.06786	1.7
163.07552	9.4
165.09114	3.1
167.08578	0.9
169.06511	2.0
173.09589	1.4
175.07558	100.0
176.08253	5.2
177.09114	36.1
178.07790	0.9
178.09392	1.4
179.08527	1.6
179.83185	0.7
181.08432	1.1
186.06877	0.9
187.07610	1.4
188.08237	1.1
189.09093	1.0
190.08043	0.8
191.07066	1.2
195.07993	1.9
199.07590	0.7
201.09149	3.3
207.08090	2.5
208.08771	1.5
209.09610	1.6
218.07213	0.8
219.08011	2.2
219.10155	3.3
221.06114	1.3
221.09583	2.6
222.10405	1.2
223.07631	1.9
225.09111	1.2
231.07899	0.9
232.08817	1.5
233.09598	3.3
234.06752	1.2
235.07634	4.3
235.11082	0.9
236.08255	1.7
237.09100	3.4
238.09764	1.3
239.10655	1.6
243.09850	1.0
245.09584	1.2
247.07632	1.5
247.11116	1.5
248.08348	2.4
248.12024	3.5
249.09114	5.9
250.05896	0.9
250.09900	3.3
251.07051	1.4
251.10664	3.8
252.11403	0.9
253.08533	2.6
253.12259	1.1
255.10054	1.9
261.09119	3.8
262.09866	1.1
263.07080	0.8
263.10629	2.3
264.07904	3.5
264.11435	2.9
265.08618	5.8
265.12244	2.5
266.09369	2.1
267.10150	5.6
268.10828	0.9
275.10629	0.9
276.11429	2.2
277.08725	1.3
277.12100	1.4
278.09433	2.0
279.10165	9.2
279.13785	3.4
280.10962	5.2
281.08185	1.5
281.11655	5.4
282.12445	3.6
283.09705	6.2
283.12491	1.2
292.10867	2.3
293.11710	7.6
294.12207	1.2
295.09622	2.7
295.12906	1.2
296.10349	2.3
297.11206	1.7
298.12003	5.3
307.09836	1.6
307.13177	8.5
308.14081	6.8
309.11148	3.5
310.11795	1.6
311.12839	20.2
311.16388	2.0
313.10965	1.1
313.14359	16.5
324.13443	2.9
325.11212	0.8
325.14432	6.9
326.15070	13.2
327.11990	2.7
328.11990	1.2
339.11966	1.5
339.15939	13.0
357.13257	4.4
357.16907	43.5
357.20599	6.3
358.17218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1695
Annotation	Fragransol C
Peak:m/z	Relative Intensity
51.07220	0.7
53.65012	0.6
55.79993	0.6
69.03412	1.0
69.51392	3.0
69.51817	2.7
79.05499	1.4
79.65071	0.8
83.04951	1.4
85.02893	0.8
91.05486	4.7
93.07059	1.3
95.04950	0.9
97.02885	1.2
98.20752	1.6
102.04633	0.9
103.05453	2.9
105.07031	1.6
107.04951	6.0
108.05755	1.3
109.06503	1.3
111.04443	0.7
115.05444	5.3
117.06998	3.9
121.06491	4.6
129.07033	1.2
130.04170	2.5
131.04953	5.7
131.08589	1.0
132.05701	3.0
133.06485	2.3
135.04358	1.7
135.08011	2.8
136.05215	6.6
137.05984	8.9
141.06963	1.8
145.06467	3.5
146.07262	8.1
147.04453	0.9
147.08031	2.2
149.09637	0.8
150.06702	0.8
151.07541	34.4
152.07899	0.9
158.07291	1.2
160.05190	25.6
161.06007	5.5
162.06761	1.5
163.07550	10.1
165.06914	0.9
165.09183	3.6
169.06477	2.0
174.06828	0.9
175.07552	100.0
175.82211	0.6
176.08290	8.1
177.09111	40.4
178.07713	0.8
178.09332	0.8
179.83159	0.6
181.06569	0.8
181.08592	1.8
187.07564	0.9
191.08595	1.4
194.07277	1.2
195.08090	2.5
196.08813	0.9
197.09608	1.1
201.09134	3.4
205.06404	0.8
205.10228	1.8
206.07336	0.9
207.08118	1.6
208.08817	0.9
209.09630	1.4
218.07173	0.9
219.08041	2.0
219.10210	2.8
220.05750	0.8
220.08926	1.2
221.06059	0.8
221.09627	4.6
222.10390	1.8
223.07498	2.3
224.08380	1.1
225.09042	1.5
231.08192	1.1
232.08807	1.0
233.09602	4.6
234.06784	1.3
234.10405	0.8
235.07593	3.9
235.11246	1.4
236.08339	2.3
237.09085	4.9
237.12677	0.8
238.09953	1.2
239.10745	1.2
240.07709	1.3
245.09785	1.4
247.07578	1.6
247.11235	1.6
248.08284	1.7
248.11903	3.8
249.09097	6.3
250.09911	3.0
251.07097	1.6
251.10631	5.7
252.07841	0.9
252.11357	1.0
253.08531	1.7
253.12254	2.7
255.10251	1.4
260.08209	0.9
261.09149	5.1
262.09927	1.2
263.07214	1.7
263.10745	2.3
264.07770	1.9
264.11511	2.4
265.08649	6.7
265.12189	2.0
266.09378	2.4
267.10165	5.8
267.97482	0.7
268.10950	1.5
275.10757	2.1
276.11450	3.6
277.08600	1.9
277.12228	1.0
278.09467	2.7
278.12418	0.8
279.10202	9.6
279.13831	4.1
280.10928	6.4
281.08350	1.8
281.11722	8.4
282.12558	3.8
283.09677	8.7
284.10086	0.7
291.10416	0.8
292.10974	3.8
293.11716	8.1
294.12305	0.9
295.09631	2.3
295.13156	1.3
296.10516	1.6
298.11960	8.3
299.12979	1.0
307.13284	9.7
308.13943	8.4
309.11285	3.2
310.12009	1.7
311.12793	23.8
311.16168	1.7
312.13126	1.1
313.14322	18.4
317.31808	0.8
324.13666	3.1
325.14313	7.3
326.15137	14.5
327.12231	0.8
339.15854	15.0
342.14676	1.5
357.16983	38.2
358.17404	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1696
Annotation	Fragransol C
Peak:m/z	Relative Intensity
54.42116	0.6
55.01862	2.0
55.05501	1.2
57.59464	0.7
65.12602	0.6
65.28832	0.6
67.05515	1.2
69.03416	1.6
71.04978	0.9
71.59680	1.4
75.04478	0.8
79.05491	2.3
81.03416	3.1
81.07032	2.1
85.02945	0.7
91.05482	5.9
93.07025	2.0
94.04237	0.8
95.04973	2.0
95.08567	1.4
97.02899	1.2
103.05473	3.9
105.07015	2.9
107.04956	7.5
107.08559	0.9
109.02890	3.3
109.06507	1.5
111.04459	0.9
115.05465	6.5
117.07019	3.7
118.67377	0.7
119.04948	1.1
119.08575	1.5
121.06525	4.1
121.10116	0.8
122.03628	1.3
123.04388	1.6
127.03918	2.7
128.06290	0.7
129.06976	1.5
130.04120	2.6
131.04929	6.9
131.08574	1.3
132.05736	3.8
133.06512	3.7
135.04378	2.1
135.08064	1.4
136.05200	6.9
137.05991	20.1
141.07016	1.6
143.04898	2.3
143.06004	1.4
145.06540	3.5
146.07277	6.7
147.04434	1.6
147.08046	2.9
149.05983	1.7
150.06755	1.0
151.03957	2.5
151.07545	28.2
153.05560	0.8
159.08058	1.0
160.05199	25.8
160.06535	1.5
161.06020	5.6
161.09660	0.8
162.06764	1.3
163.07556	11.0
165.05539	1.5
165.09126	4.0
167.07066	0.9
167.08604	0.7
169.06470	2.8
173.09602	0.8
175.07556	100.0
176.08325	6.5
177.05531	1.7
177.09116	40.6
179.08563	1.7
181.08578	1.1
186.06703	0.8
187.07597	1.1
188.08331	1.0
189.09164	1.0
190.07693	0.9
191.06949	1.0
191.08603	1.4
193.08662	0.8
195.08054	1.8
197.09465	1.0
201.09102	2.8
203.07042	2.5
205.06517	1.8
205.08376	0.9
205.10115	1.7
206.07298	0.7
207.08208	3.4
208.08907	1.2
209.09627	1.7
210.06668	1.0
218.07272	1.0
219.08055	3.9
219.10193	3.5
220.08740	1.3
221.06036	1.3
221.09669	2.8
222.06955	0.9
222.10350	2.0
223.07521	2.6
224.08289	1.3
225.09099	2.0
231.08101	1.3
232.08846	1.7
233.05937	1.0
233.09567	3.6
234.06660	2.0
234.10410	0.8
235.07591	4.6
235.11154	1.7
236.08350	2.5
237.09111	4.6
238.09879	3.1
238.31104	0.8
239.10641	1.4
245.09608	1.8
247.07558	3.2
247.11198	2.3
248.08327	2.2
248.12038	3.8
249.09113	7.3
250.06203	0.9
250.09920	3.7
251.06892	1.5
251.08311	0.8
251.10695	6.3
252.08025	0.8
252.11290	2.0
253.08556	2.6
253.12314	2.0
255.10146	2.8
261.09076	5.4
262.09952	1.1
263.06949	2.0
263.10641	2.7
264.07806	2.4
264.11536	3.5
265.08618	7.3
265.12228	2.6
266.09369	2.0
267.10229	4.4
268.10974	1.7
275.10724	2.4
276.11414	4.1
277.08609	4.0
277.11902	1.2
278.09445	3.2
279.10187	9.1
279.13818	3.9
280.10989	5.2
280.13931	1.1
281.08102	2.0
281.11707	7.7
281.14584	1.2
282.12442	4.0
283.09741	7.8
283.12921	1.0
284.10474	1.1
291.10025	1.5
292.10895	2.7
293.11725	9.4
294.09262	0.7
295.09567	3.9
295.13019	0.8
296.10495	3.0
297.11365	1.4
298.12039	7.1
307.10046	1.4
307.13297	10.2
308.13995	5.9
309.11197	4.5
310.12042	1.5
311.12836	25.1
311.16425	2.7
313.14365	16.0
324.13541	4.2
325.14264	5.8
326.15134	14.2
327.12305	1.8
329.17523	0.9
339.11993	1.5
339.15912	15.5
357.13242	4.0
357.16986	43.7
358.17404	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01868	24.0
55.05495	2.3
55.44658	2.0
65.03927	5.6
69.07045	3.3
69.91485	9.1
69.91901	5.3
70.06587	6.3
71.04972	2.4
73.67632	2.5
79.05475	5.3
81.03419	4.8
81.07041	6.9
83.06097	3.5
85.02922	5.1
86.09692	7.7
89.03954	2.4
91.05452	13.9
93.03400	3.9
93.07042	4.4
94.04197	6.5
95.04967	4.8
95.08595	3.0
97.02897	4.0
99.04375	2.7
103.05473	7.8
105.07014	6.6
107.04968	6.3
107.08572	4.4
109.06570	3.5
111.04437	10.5
111.05580	10.3
115.05483	10.3
117.03389	2.7
117.07018	4.4
119.04932	12.0
119.08611	6.5
120.12458	2.0
121.06504	4.9
121.10130	3.2
122.03652	11.0
125.06030	10.6
127.03917	2.4
128.06235	2.7
131.04942	10.6
132.05676	3.9
132.10225	2.6
133.02917	3.0
133.06467	4.1
135.04446	3.6
135.11790	2.6
137.05983	100.0
138.06290	5.1
143.04965	8.6
144.05727	4.1
145.02872	3.6
145.06451	3.5
146.03610	2.8
147.04436	16.8
147.08046	6.1
149.05968	12.6
151.03947	4.6
153.05502	6.3
155.04939	8.5
159.04384	3.2
160.05247	6.2
160.17752	2.2
161.05988	17.8
162.06793	6.2
163.03897	3.4
165.05531	10.3
165.06885	4.2
167.07066	3.3
170.03703	2.5
171.04384	4.9
172.05222	10.7
173.04549	2.4
173.06018	7.1
175.07547	16.3
177.05467	36.0
178.07909	2.5
179.07088	5.6
179.08580	5.2
183.04477	5.3
185.05925	18.9
187.07568	6.3
188.04781	4.4
189.06985	4.5
190.07741	3.5
191.07022	7.0
191.08644	9.2
195.06526	4.2
195.13806	2.8
197.06015	2.8
200.04713	7.6
203.07037	75.8
204.07573	2.5
205.06540	3.7
206.07280	5.0
207.08110	7.3
208.08873	2.6
215.07004	42.8
215.08835	3.5
217.06487	6.1
218.07161	11.9
219.07976	11.5
220.08844	2.7
221.06123	4.0
223.07648	3.5
225.09175	4.0
231.08191	3.2
234.06860	10.3
235.07529	11.2
235.26187	2.5
236.08330	2.7
237.09102	3.3
245.06099	3.5
246.06830	7.0
247.07561	12.8
249.09132	16.2
250.09784	2.6
251.07037	3.3
252.08018	2.8
257.06091	2.9
261.05356	2.1
261.09155	8.6
262.06308	7.6
263.06952	10.9
264.07849	4.5
265.08755	6.2
267.10321	8.0
268.07330	3.4
269.08209	3.2
274.06229	4.9
275.07129	4.8
277.08536	25.5
278.09256	5.8
279.06604	4.1
279.10187	11.0
281.08200	2.8
289.08627	12.0
290.09183	3.2
294.08884	12.8
295.09650	6.8
307.09613	24.6
308.10376	2.5
309.07706	4.6
309.11111	33.6
311.12915	3.0
321.11084	11.3
327.12247	37.2
339.12408	14.3
339.19019	11.4
357.06708	3.6
357.13361	92.3
358.13907	5.2
376.85068	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01621	1.9
55.01871	27.8
59.56700	1.3
63.37858	1.7
65.03929	5.7
67.05529	1.8
69.03416	3.9
70.63219	3.3
71.04978	1.8
79.05498	4.4
81.07038	3.1
81.45255	1.3
85.02892	2.1
86.09673	1.8
89.03904	2.6
91.05485	16.4
93.03383	1.7
93.07057	2.2
94.04176	5.1
95.04937	2.6
97.02890	1.5
98.97559	2.7
103.05477	7.5
105.07041	4.6
107.04938	5.0
107.08558	1.6
109.06503	2.6
111.04469	8.8
111.05541	2.5
115.05457	13.3
117.03375	2.4
117.07032	3.8
119.04959	7.9
119.08581	3.0
120.27177	1.3
121.06503	5.3
122.03647	12.1
124.05236	1.4
125.05962	7.1
128.06281	1.4
129.06964	1.6
131.04910	8.6
132.05716	1.9
133.02789	1.7
133.06470	3.0
134.03673	2.8
135.04451	2.6
137.05978	100.0
138.06326	3.2
143.04947	6.3
144.05775	2.9
145.02846	2.7
145.06479	5.2
146.03604	2.4
147.04407	15.1
147.08072	4.3
149.05978	10.1
150.06711	3.8
151.03886	4.9
153.05460	5.4
155.04939	9.6
160.05190	5.6
161.06001	17.4
162.06760	4.6
162.84334	1.5
163.03903	1.7
163.07515	2.5
165.05467	8.0
165.06915	3.6
168.58847	1.6
169.82545	1.7
170.03531	2.4
171.04402	5.9
172.05211	11.2
173.06023	4.6
175.06184	2.4
175.07544	15.3
177.05482	30.1
177.07028	2.0
178.07745	1.7
179.07039	4.6
179.08633	4.7
181.06482	1.6
183.04425	5.5
184.05159	3.1
185.05969	17.5
187.07544	6.8
188.04694	4.1
189.06943	4.8
190.07822	5.5
191.07010	3.5
191.08594	6.3
195.08078	1.8
200.04697	6.6
201.07072	2.0
203.07022	61.7
204.07489	2.2
205.06488	2.3
206.07314	2.5
207.08067	7.4
208.08868	3.2
215.07007	36.3
216.07446	1.8
217.06499	7.1
218.07294	10.2
219.08055	15.8
220.08829	1.5
221.06079	3.1
221.07927	1.8
223.07535	2.3
224.08344	2.0
229.06526	2.7
231.08029	2.1
233.05952	2.0
234.06712	10.3
235.07545	10.3
236.08354	4.0
237.09059	2.3
240.07706	2.6
245.06030	3.4
246.06850	5.7
247.07535	14.1
247.58690	1.7
248.08282	3.5
249.09148	13.4
250.06204	1.9
250.09608	1.8
251.07071	3.8
251.10574	4.2
252.07838	2.7
253.08633	2.3
261.09058	7.6
262.06271	6.0
263.07062	12.6
264.07849	6.8
265.08554	5.0
267.10205	7.9
268.07141	2.0
274.06277	5.0
275.07022	5.1
277.08578	24.7
278.09131	5.0
279.06631	4.4
279.10165	6.9
281.08292	1.5
288.60336	1.6
289.08524	7.2
290.09338	2.3
292.07419	2.7
293.08002	2.3
294.08942	9.6
295.09564	6.7
306.08865	3.9
307.09659	21.9
308.10046	2.4
309.11197	27.4
310.11652	2.2
321.11267	10.9
327.12274	25.3
328.12610	2.5
339.12289	9.7
339.19086	2.4
357.13339	78.0
358.13666	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	357.1331
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01672	1.3
55.01873	16.5
55.05484	1.5
65.03927	3.0
67.05511	3.1
69.03458	2.0
69.07059	4.0
69.68620	10.2
70.06577	3.7
79.05489	7.7
80.32832	1.7
81.03389	2.4
81.07063	15.2
85.02870	2.1
86.09704	4.0
89.03933	1.9
91.05480	10.6
93.03376	1.6
93.07040	4.8
94.04170	5.6
95.04964	3.7
95.08593	8.8
103.05481	8.8
103.42729	1.7
105.07041	9.1
106.04169	2.2
107.04935	6.8
107.08582	4.3
109.02877	2.9
109.06528	4.3
109.10130	3.5
111.04420	7.8
115.05447	9.5
116.07071	1.8
117.03342	2.3
117.07011	2.6
119.04956	5.8
119.08583	2.6
121.06490	5.0
121.10123	2.5
122.03648	12.1
123.05518	2.3
125.05956	3.2
127.03929	2.7
129.06992	2.7
130.04147	2.1
131.04877	9.0
131.08585	1.8
133.02885	2.1
133.06467	5.5
135.04398	2.1
135.08058	3.1
135.11650	3.9
137.05974	100.0
137.13268	2.9
138.06323	2.3
141.57600	1.7
143.04964	6.7
144.05688	2.9
145.02870	3.4
145.06491	5.1
145.10094	2.5
146.03633	5.4
147.04414	10.0
147.07996	3.4
149.05994	7.1
149.13231	2.1
151.03880	5.8
153.05447	5.8
154.94234	2.2
155.04939	4.7
156.99879	1.9
160.05205	2.0
161.05949	24.9
162.06715	4.6
162.49103	1.6
163.03937	1.8
163.07510	5.0
165.05490	30.2
165.06882	3.7
167.07010	6.3
171.04449	4.8
172.05170	3.5
172.95226	3.3
173.05966	2.5
174.95715	1.8
175.07599	9.6
177.05484	22.6
178.07758	5.0
179.07011	2.8
179.08511	3.5
183.04376	2.3
185.06027	5.1
187.07564	6.7
189.06995	7.4
190.07770	8.5
191.07039	3.1
191.08563	14.0
195.13805	8.1
200.04655	2.1
201.07123	2.3
202.07874	3.0
203.07008	24.5
205.06509	5.2
206.07266	3.5
207.08052	7.1
208.08844	3.6
211.07396	2.2
215.06995	18.3
215.08644	2.3
217.06538	5.7
218.07251	15.7
219.08060	28.5
220.08719	3.3
221.05917	4.1
221.09756	2.5
223.07466	3.8
224.22389	1.8
229.06497	5.5
230.07199	2.5
231.08104	4.3
233.09767	2.1
234.06718	9.3
235.07451	13.3
236.08357	8.4
237.09135	2.6
241.08606	1.8
245.05977	3.1
246.06746	13.6
247.07570	26.3
248.08281	5.6
249.09021	10.8
250.06122	2.1
250.09802	2.5
251.06882	4.8
251.10718	4.7
252.07799	2.7
253.08495	3.4
257.05817	8.5
258.06714	1.8
259.07532	3.8
261.09125	24.3
262.06277	6.7
263.07001	15.5
264.07806	14.5
265.08530	7.1
267.06711	1.9
267.10104	5.9
274.06235	11.1
275.06857	9.9
276.07745	3.8
277.08633	22.9
278.09326	8.3
279.06876	2.9
279.10083	16.9
281.08041	3.9
289.08636	37.2
290.09222	5.1
291.06427	3.9
292.07108	4.0
293.07523	2.8
294.08878	7.6
295.09644	9.3
297.11047	2.6
306.08923	8.1
307.09637	73.6
308.10236	6.7
309.07724	3.3
309.11102	25.6
311.12860	3.7
321.11194	61.0
327.12231	30.8
329.08496	3.1
339.12231	44.6
357.09433	1.7
357.13290	33.1
357.17834	7.4
358.13605	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03945	2.4
55.01874	17.0
55.05512	3.5
56.84610	1.3
65.03929	3.7
66.76199	1.2
67.05506	7.2
69.03440	3.3
69.07067	5.5
71.04973	3.0
71.20628	3.0
79.05487	6.6
81.03413	2.4
81.07059	13.7
83.06100	6.6
83.08605	2.3
84.04504	20.9
84.66016	1.3
85.02907	3.3
85.06537	2.8
85.75047	1.3
89.03916	2.6
89.83991	1.5
91.05476	7.4
93.03432	2.1
93.07051	6.6
94.04178	5.7
95.04975	3.8
95.08609	7.8
97.02908	2.6
97.06510	3.8
99.04473	1.5
101.07130	3.0
102.05547	1.9
103.05473	3.9
105.03397	1.5
105.07018	10.3
107.04937	6.4
107.08595	5.0
109.06532	5.2
109.10181	3.4
111.04443	6.2
111.08111	2.1
115.05428	7.7
117.03400	5.9
117.07006	2.9
119.04974	2.2
119.08578	5.8
121.06522	3.3
121.10152	6.8
122.03632	10.5
123.08024	1.7
123.11721	5.8
125.06013	3.8
127.03893	2.0
129.06564	7.9
130.04155	2.2
130.05020	15.4
131.04912	5.8
131.08578	1.8
133.06497	4.5
133.10112	2.5
135.04405	6.4
135.11716	2.1
137.05981	100.0
143.04935	7.0
144.05742	2.4
145.02821	13.3
145.06435	2.2
145.10162	1.7
146.03647	5.3
147.04398	5.4
147.07674	7.5
147.11690	8.1
149.06047	7.2
151.03917	5.7
151.07579	1.6
153.05469	3.4
155.04961	2.4
159.11729	3.3
160.05214	2.3
161.05994	24.9
162.06776	2.8
163.03935	2.2
163.07555	2.6
163.11243	1.6
165.05524	23.6
165.06963	4.5
165.12750	3.4
167.07039	5.2
167.10455	1.7
171.04469	2.6
172.05244	2.2
173.05963	2.6
175.07578	10.4
176.06261	1.7
177.05499	34.1
177.06969	1.4
177.16470	2.4
178.05675	1.7
178.07817	3.3
179.07074	3.2
179.08513	3.2
181.06500	3.0
182.15492	2.5
183.04425	3.0
185.05922	2.8
187.07564	4.8
189.05525	1.9
189.06961	6.6
190.07802	8.9
191.07054	1.9
191.08582	11.6
194.07268	1.8
195.08022	2.2
200.04570	1.6
202.07713	1.9
203.07028	9.5
203.08672	2.3
205.06546	4.2
206.07253	3.7
207.08096	7.4
208.08809	5.7
210.14969	2.7
211.07495	2.1
212.01015	1.7
215.06981	9.5
217.06535	4.3
218.07320	15.7
219.08098	28.5
220.08675	3.8
221.05988	3.5
222.06750	2.5
223.07576	3.0
225.09097	2.0
228.16042	3.8
229.06577	6.3
230.07278	1.6
233.05991	1.6
233.09929	1.6
234.06795	7.2
235.07530	13.8
236.08299	9.3
237.05693	2.1
237.09050	5.2
239.10675	1.7
245.06027	3.1
246.06755	13.7
247.07556	26.4
248.08336	6.7
249.05508	2.7
249.09064	7.2
250.06125	2.0
250.09833	1.6
251.07025	4.9
251.10765	4.2
252.07910	2.3
253.08549	2.8
257.06021	5.2
258.06573	3.3
259.07498	2.4
261.09125	22.9
262.06311	6.0
263.07007	12.9
264.07840	14.8
265.08545	6.4
267.10211	5.9
272.08914	1.4
274.06284	10.4
275.07034	12.2
276.07806	3.4
277.08618	16.4
278.09482	7.0
279.06912	2.3
279.10156	15.8
280.10559	2.5
281.08127	3.5
283.09305	1.8
287.64590	1.5
289.08606	26.4
290.09229	5.5
291.06558	3.1
291.09964	2.1
291.23001	1.3
292.07285	4.1
293.08218	3.6
293.11755	2.6
294.08902	7.2
294.16833	2.9
295.09711	6.5
296.10379	2.5
297.11224	2.8
306.08865	6.1
307.09641	72.5
308.10107	7.8
309.07669	2.6
309.11203	14.5
310.11646	1.7
311.12891	3.3
319.50165	1.5
321.11249	50.6
321.17920	4.7
322.11542	2.9
325.10742	4.4
327.12241	32.4
328.12802	1.6
329.13785	2.3
339.12289	45.0
339.18936	3.0
340.12604	1.9
357.13293	22.7
357.18994	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Melianoninol
Peak:m/z	Relative Intensity
51.63232	2.7
53.03943	4.5
55.01874	17.9
55.05511	8.5
57.03432	4.5
57.07092	3.8
65.03951	4.5
67.05507	22.1
68.74776	3.5
69.03416	10.4
69.07061	17.5
70.06596	3.9
71.04996	8.5
71.59590	6.3
76.87828	2.8
78.89143	2.9
79.05508	21.8
81.03435	4.9
81.07058	63.0
83.08607	4.3
84.08147	3.7
85.02898	6.2
85.06545	7.1
86.09705	5.4
86.98131	3.0
89.03922	5.9
91.05457	18.4
93.07035	38.1
94.04189	3.3
95.04980	13.0
95.08604	34.9
97.02879	7.3
97.06561	5.5
103.05480	11.6
105.07032	25.5
106.04188	4.7
107.04955	8.8
107.08576	20.0
108.49954	3.4
109.02876	4.2
109.06509	11.6
109.10152	24.5
111.04464	8.3
111.08089	8.9
115.05458	9.2
116.07159	4.5
117.03396	8.4
117.07027	8.3
119.04932	7.1
119.08587	11.0
121.06532	12.0
121.10137	24.9
122.03657	12.5
123.04482	4.4
123.05555	10.1
123.11752	15.7
125.06030	5.2
125.09641	4.5
129.06970	4.9
130.04155	3.1
131.04961	12.5
131.08588	5.0
133.02809	3.8
133.06477	11.6
133.10135	10.5
135.04364	3.6
135.08093	3.5
135.11711	9.9
137.05975	100.0
137.09575	5.1
137.13274	12.1
139.11244	3.8
143.04951	7.2
143.08459	3.0
145.02864	25.2
145.06458	7.0
145.10123	8.1
146.03592	3.3
147.04388	18.9
147.08038	6.5
147.11697	5.5
149.05948	16.1
149.13255	5.7
151.03902	9.3
153.05466	7.3
156.97479	3.5
159.04456	3.6
159.11723	8.0
160.05222	3.1
161.05981	31.1
161.13367	4.3
162.06755	3.8
163.03928	5.5
163.07571	6.5
165.05484	18.0
165.06810	6.4
165.12709	4.2
167.07036	59.5
167.08418	4.7
167.10764	3.5
172.05251	4.1
172.95280	7.9
173.06064	17.3
173.13229	3.4
174.95740	4.6
174.98560	5.8
175.07539	9.7
177.05479	62.8
177.12723	5.3
178.07707	4.8
185.06062	6.5
187.07603	6.9
189.07053	6.2
190.07700	5.5
191.07057	3.9
191.08611	11.2
195.06544	3.5
195.13803	7.6
199.14886	4.0
203.07076	10.4
204.06610	6.1
205.06519	4.8
206.07224	3.8
207.08046	7.3
211.90291	3.2
215.07007	6.7
217.06421	3.5
218.07306	13.6
219.08028	20.4
229.06508	6.9
234.06749	9.7
235.07530	19.3
236.08241	5.5
237.09111	4.5
239.07155	4.4
245.06204	4.5
246.06831	13.8
247.07530	22.2
248.08218	4.0
249.09061	12.0
250.06267	3.7
251.07042	6.1
252.07895	4.3
257.05942	4.7
261.09204	14.0
262.06262	5.9
263.07050	10.0
264.07791	9.7
265.08694	7.0
267.10193	4.0
274.06329	9.8
275.06827	6.7
277.08633	16.5
279.10175	14.5
289.08588	28.5
291.06610	3.8
292.07483	4.8
293.07822	5.2
295.09601	8.9
297.11240	7.9
303.23206	11.2
306.08926	5.5
307.09589	62.2
309.11142	15.7
311.07852	5.3
312.09866	5.5
321.11148	41.2
321.24438	15.6
325.10477	5.8
327.12219	35.7
339.12262	38.5
339.25256	5.4
357.13330	37.3
357.24173	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	357.133
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01627	1.4
55.01870	19.2
65.03925	4.8
66.04707	1.7
70.86195	3.2
79.05496	5.6
81.07044	3.9
89.03912	1.4
91.05479	7.3
93.03407	1.4
93.07033	2.1
93.67715	1.1
94.04185	5.9
95.04957	2.9
96.51328	1.0
103.05461	6.8
104.40700	1.1
105.07023	7.0
107.04919	3.7
107.84954	1.3
109.06478	6.8
111.04440	6.9
115.05473	7.6
117.03371	2.7
117.07057	1.5
118.04110	1.3
119.04945	1.9
121.06501	2.4
122.03638	15.9
125.05959	5.4
130.04155	1.7
131.04933	8.4
133.06482	4.0
135.04391	1.9
137.05968	100.0
143.04918	5.5
144.05684	3.1
145.02818	3.2
145.06483	1.7
146.03580	5.8
147.04387	5.9
149.05994	6.4
150.03085	2.3
151.03912	4.7
153.05466	2.7
155.04913	5.5
159.04398	1.3
159.08000	1.6
160.05112	1.7
161.05962	26.6
162.06752	7.3
163.03914	1.7
163.07541	2.4
165.05472	40.9
165.06871	3.2
167.08609	1.3
169.06427	1.3
171.04407	3.4
172.05190	3.2
175.07484	6.4
177.05478	16.7
177.06866	1.6
178.07687	2.5
179.08568	5.4
180.09351	1.3
181.06473	3.4
183.04425	3.0
185.05960	3.3
187.07544	6.4
188.04668	1.4
189.05420	2.1
189.06943	11.4
190.07738	13.7
191.06935	2.0
191.08528	18.3
192.05724	1.4
192.09050	1.3
193.06534	2.2
193.10127	1.2
194.07254	2.7
195.08093	2.3
200.04692	2.0
201.07001	2.8
202.07745	4.7
203.06964	9.1
203.08533	2.3
205.06540	5.7
206.07249	4.2
207.08067	10.4
208.08809	5.5
209.05942	1.3
209.09532	1.6
215.06917	13.4
217.06537	7.2
218.07233	24.1
219.08047	37.7
220.08630	5.2
221.05986	5.9
221.09496	1.7
222.06705	2.1
223.07480	2.8
224.08240	1.8
229.06418	12.2
230.07219	4.3
231.07971	4.2
233.06059	1.9
233.09552	5.3
234.06723	13.1
235.07524	19.2
236.08293	12.9
237.05518	3.2
237.09032	4.3
239.06949	2.1
245.06056	3.5
246.06760	23.0
247.07533	36.3
248.08287	6.6
249.05466	3.1
249.09052	12.6
250.06180	1.6
250.09827	1.6
251.06952	6.5
251.10788	5.7
252.07877	2.2
253.08577	3.1
257.05927	11.4
258.06677	3.3
259.07507	4.7
260.08282	1.8
261.09103	40.8
262.06253	4.7
262.09332	1.6
263.07059	17.9
264.07770	16.8
265.08563	8.7
266.09305	2.0
267.10138	5.4
269.08096	3.8
273.05518	1.8
274.06213	19.5
275.06976	21.3
276.07761	5.1
277.08582	27.6
278.09329	11.7
279.06824	2.1
279.10080	21.1
280.10669	1.3
281.08072	2.7
284.10513	2.5
289.08572	54.2
290.09238	11.7
291.06436	7.2
291.09567	2.4
292.07208	7.7
293.08087	3.4
293.11700	3.3
294.08881	10.1
295.09714	7.5
296.10571	1.7
306.08746	10.5
307.09622	95.8
308.10202	6.6
309.07657	3.2
309.11118	19.7
311.12631	2.5
321.11182	85.7
322.11566	4.0
324.09866	3.4
327.12256	29.8
339.12244	59.1
340.12488	2.2
357.13190	9.7
369.70428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.97100	1.9
55.01875	19.1
55.05499	3.2
56.96556	3.7
65.03923	3.6
66.04660	2.2
67.05495	6.0
69.03425	4.9
69.07067	6.9
74.30899	2.0
74.33742	2.1
77.69516	2.0
79.05495	11.6
80.60786	2.3
81.03416	5.0
81.07057	11.1
83.08604	3.5
85.02908	3.4
91.05470	12.6
93.07045	8.3
94.04182	6.7
95.04951	6.6
95.08612	4.6
97.02911	4.7
98.20702	4.3
98.97568	2.8
103.05488	4.6
105.07040	8.2
107.04952	8.5
107.08595	6.4
109.02873	5.6
109.06499	5.2
109.10156	4.4
111.04460	8.6
113.42603	2.2
115.05460	5.6
115.96404	2.2
117.03378	4.5
119.04906	5.2
119.08595	4.6
121.06493	4.5
121.10123	2.3
122.03675	12.9
123.04488	4.1
123.08063	3.3
123.11678	2.4
125.05961	5.0
127.03910	2.9
127.29571	2.2
131.04942	10.0
133.02890	6.6
133.06497	4.1
133.10162	3.2
135.04398	4.5
135.08084	4.2
135.11713	4.5
137.05978	100.0
143.04936	8.5
144.05630	3.8
145.02893	2.6
145.06487	4.5
145.10080	3.2
146.03612	6.6
147.04434	7.9
147.08055	2.9
147.11745	2.4
149.06032	10.7
151.03915	10.5
151.07552	2.9
153.05487	6.2
155.04950	5.2
155.06073	2.2
159.04517	2.6
160.05180	3.0
161.06000	30.8
162.06743	6.4
163.03928	2.4
163.07484	3.8
165.05495	28.7
165.06873	5.0
167.07071	8.8
171.04382	4.7
171.11670	2.4
173.06026	3.8
175.07558	8.8
177.05519	15.6
177.12712	2.5
179.08571	4.1
181.04967	2.6
181.06454	3.6
183.04483	3.3
185.05989	4.8
187.07539	5.2
189.07010	9.3
190.07770	7.4
191.07039	3.7
191.08563	15.9
191.10515	2.0
194.07245	3.5
195.08116	4.6
202.07869	3.4
203.07039	15.5
203.08693	4.0
205.06490	5.1
206.07213	5.4
207.08105	11.3
208.08815	6.5
209.09599	3.2
211.07672	2.4
215.06995	12.3
217.06572	5.6
218.07231	18.9
219.08055	34.7
220.08813	4.1
221.06015	5.7
222.06917	2.2
223.07530	5.1
225.09262	3.1
229.06537	6.1
231.08170	4.2
233.09685	4.6
234.06776	9.3
235.07579	18.1
236.08336	10.4
237.05508	2.7
237.09105	2.8
239.07016	2.6
240.07753	2.3
246.06798	16.5
247.07507	37.7
248.08379	6.4
249.05502	3.9
249.09125	10.6
250.06290	2.7
251.07034	7.1
251.10712	4.6
252.07701	5.9
253.08366	3.5
257.05975	7.6
258.06689	3.2
261.09082	30.6
262.06161	3.4
263.07056	17.7
264.07703	15.5
265.08572	9.2
267.10110	8.6
269.07996	4.4
274.06177	15.6
275.07037	11.2
276.07852	2.7
277.08566	24.4
278.09320	6.8
279.07214	3.9
279.10162	17.2
281.08148	4.0
281.11401	2.3
284.10596	2.5
289.08594	43.2
290.09250	9.2
291.06610	5.0
291.09839	2.3
292.07294	5.4
293.08029	5.5
293.11459	3.1
294.08871	8.0
295.09616	8.3
296.10486	3.0
297.11234	3.7
306.08856	9.0
307.09622	77.8
308.10052	2.8
309.07727	4.3
309.11240	17.7
313.10739	4.2
321.11218	68.2
321.17075	2.8
324.09970	3.7
325.10425	2.6
327.12250	36.7
336.12323	3.4
339.12247	51.0
340.12692	2.4
357.13297	34.7
357.20316	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	357.1183
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
53.03938	0.5
56.96553	0.8
65.03912	0.7
67.05500	0.5
67.71416	0.4
68.63854	0.4
69.03442	1.0
69.44585	3.6
70.06579	1.5
81.03414	3.8
83.04957	0.4
83.06109	0.5
84.04510	1.0
84.08157	0.4
85.02888	1.1
86.09710	0.9
87.04441	0.4
89.03924	4.9
91.05491	1.4
95.04970	0.6
98.21565	0.9
100.06384	0.4
103.05551	0.5
109.02869	1.2
116.07092	1.7
116.98605	0.7
117.03386	17.6
118.03760	0.7
119.04931	1.7
127.03937	0.6
133.06503	0.7
134.03592	1.0
135.04419	1.4
137.05984	1.9
145.02849	45.7
146.03181	1.1
147.03365	0.6
147.04427	5.5
149.06004	7.7
153.05408	0.5
163.03902	1.6
165.05545	0.4
167.07141	0.5
169.31190	0.4
177.05475	100.0
178.05852	2.9
181.04955	1.1
186.05516	1.3
195.06532	5.6
196.14621	0.4
299.82428	0.4
315.01273	0.4
339.10803	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	357.1183
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
53.03960	0.3
56.96580	0.4
57.03442	0.4
57.03707	0.3
63.02375	0.4
64.48307	0.3
69.03434	0.9
70.06593	0.8
70.31252	0.6
70.31644	0.7
71.05004	0.4
81.03429	3.4
82.24085	0.3
84.04514	0.4
84.08150	0.9
85.02901	1.3
86.09699	0.4
86.15562	0.2
89.03918	4.8
89.04480	0.3
89.06048	0.3
90.05653	0.3
90.67245	0.2
91.05409	0.5
91.05888	0.5
95.04970	0.3
97.02885	0.5
98.97617	0.3
99.04482	0.5
100.04782	0.3
103.05469	0.4
106.04208	0.3
109.02878	1.3
117.03386	16.3
118.03711	0.3
119.04971	1.2
121.02850	0.3
123.04436	0.5
126.11258	0.3
127.03952	0.8
134.03653	1.0
135.04431	1.7
137.06001	0.4
145.02856	47.8
146.03198	1.1
147.04433	3.6
149.05997	6.0
151.07481	0.3
162.03177	0.4
163.03915	1.7
175.07402	0.3
177.05482	100.0
178.05853	2.7
184.23682	0.3
186.05544	1.1
186.07428	0.2
190.02184	0.3
195.02959	0.4
195.06558	2.9
195.12367	0.4
203.60489	0.2
237.02867	0.3
339.06622	0.5
339.10764	9.6
340.11148	0.5
357.07303	0.4
357.11557	1.4
357.15488	0.5
357.24930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
61.85258	0.7
65.03938	0.7
70.85416	2.0
71.08601	0.7
86.09702	1.4
91.05490	6.5
109.05431	0.7
111.04441	0.8
117.09152	1.7
119.04954	18.6
136.04724	1.2
136.07721	0.8
137.05994	3.5
147.04417	100.0
148.04759	3.0
163.03929	1.0
164.04259	1.9
165.05473	0.7
175.07443	0.8
177.05484	1.7
177.11169	0.9
190.80876	0.7
203.07095	2.3
219.18767	0.7
247.07628	0.9
307.09760	0.9
309.11261	1.0
327.12305	1.1
357.13116	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.7
56.96556	19.5
58.27360	13.5
59.24744	13.1
67.05501	34.8
69.07053	28.2
71.59449	15.7
79.05510	25.8
81.03442	13.8
81.07054	41.4
83.04984	19.9
91.05476	28.9
93.07047	53.3
95.04942	15.1
95.08603	45.8
97.06517	21.7
100.27256	14.4
105.07036	74.3
107.08578	97.4
109.10137	23.4
111.04450	38.8
115.05473	12.1
119.08601	90.8
121.06506	24.4
121.10138	36.6
123.08125	13.8
129.06967	11.3
131.08553	40.4
133.06529	14.8
133.10132	27.7
135.04408	18.5
135.08040	100.0
137.04005	12.7
143.08498	24.0
145.10141	28.0
147.11705	17.6
149.09624	39.4
158.10942	13.8
159.11711	54.4
163.03900	33.2
164.04263	42.9
164.31912	14.0
165.09082	19.4
169.10080	14.6
171.11679	22.1
181.12233	16.9
185.13344	22.7
197.13278	19.7
208.94304	15.1
219.13898	13.9
220.95195	12.7
253.15752	12.6
297.18277	31.7
315.19705	60.0
345.18823	23.1
355.68930	13.4
356.26456	17.0
357.20102	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.6
55.05264	2.2
55.05512	31.5
57.03437	10.3
57.07078	10.8
65.46716	1.5
65.82044	1.6
67.05502	75.2
69.07066	39.3
70.06595	1.9
71.04974	3.1
71.08634	7.5
71.59107	1.5
71.59496	2.0
71.84077	2.0
79.05481	21.4
80.76832	1.4
81.07055	100.0
83.08608	28.4
85.06537	3.3
85.10178	3.8
86.29689	1.5
88.07642	1.8
91.05471	16.0
93.07047	27.6
95.08606	82.6
97.06536	8.0
97.10172	17.0
99.08083	4.4
103.03930	2.1
105.07023	13.3
107.08600	19.5
109.10152	43.4
111.08080	3.4
111.11710	6.6
119.08580	11.4
119.17165	1.5
121.10139	29.0
123.11695	24.1
125.09665	1.6
125.13240	4.4
129.05504	2.3
133.10130	20.5
135.11688	11.6
137.09584	2.0
137.13264	11.0
141.12759	2.9
147.11696	14.5
149.13268	12.8
151.11195	2.5
151.14818	6.9
155.14336	2.4
161.13248	17.3
163.14819	13.5
164.15198	1.6
165.12787	3.2
165.16376	6.5
175.14812	12.1
177.16359	1.8
179.14349	3.1
179.17917	6.5
189.16389	6.1
193.15871	1.9
245.22643	57.1
263.23703	58.6
264.24039	2.3
265.25269	2.3
278.21799	1.6
321.84219	2.0
337.23248	2.2
337.27377	43.7
338.27911	2.0
355.28436	10.3
356.35202	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	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03939	1.8
53.37292	1.2
55.01879	2.1
55.05510	28.0
55.09845	1.3
57.03442	9.5
57.07077	11.0
58.39444	1.3
65.03969	1.7
67.05502	80.8
68.05839	1.4
69.07068	38.0
71.04991	3.6
71.08618	6.5
75.04494	2.3
79.05491	26.2
81.07054	100.0
83.05016	1.7
83.08622	25.2
85.06541	3.0
85.10169	3.8
91.05459	16.6
93.07038	27.7
94.07366	2.9
95.08603	84.1
97.06526	10.4
97.10156	18.6
98.20704	3.0
99.08080	3.6
103.03946	2.7
105.07030	13.9
107.08596	20.3
109.10151	43.9
111.08099	3.5
111.11737	7.6
113.09622	4.0
119.08586	15.3
121.10137	30.3
123.08110	2.4
123.11700	23.0
125.09682	2.3
125.13251	1.5
127.11217	1.8
129.05460	3.0
131.08669	1.5
133.10120	19.1
135.11682	14.5
137.13240	9.4
139.11218	1.7
141.12785	2.4
142.11386	1.2
147.11691	10.9
149.13260	12.1
151.11214	2.4
151.14790	7.6
159.11726	1.5
161.13251	18.0
163.14809	12.5
165.12744	2.9
165.16365	9.0
175.14841	9.6
177.16371	1.6
179.14386	2.9
179.17928	4.3
181.15811	1.5
189.16409	5.3
203.17981	3.0
217.19576	1.6
245.22644	50.3
246.23125	2.1
263.23703	58.1
264.24121	3.9
265.25293	2.3
337.27374	39.4
338.27802	2.2
355.18890	3.6
355.24356	2.3
355.28464	12.1
355.33643	10.8
375.01108	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.21230	2.9
55.05515	35.9
57.03431	11.3
57.07091	15.6
67.05509	86.8
69.06777	3.0
69.07076	34.9
70.06587	6.4
71.08633	6.7
71.60366	4.6
71.60725	3.3
73.30099	3.0
79.05498	28.7
81.06574	5.7
81.07059	100.0
83.04974	3.1
83.08619	32.8
85.06528	4.1
85.10190	3.9
88.07627	10.1
91.05441	20.6
93.07048	27.3
93.78141	2.6
95.08611	86.1
97.06536	8.0
97.10187	20.4
99.08090	6.3
105.07041	19.8
105.27252	3.5
106.08656	3.8
107.08590	28.6
109.10168	57.0
111.08077	10.1
111.11709	8.8
113.09644	3.3
119.08586	14.5
121.10171	26.6
123.11705	25.9
127.11202	3.0
127.90007	2.6
133.10115	19.3
135.11723	16.4
135.47842	3.3
137.13271	10.1
141.12775	3.1
147.11714	15.3
147.78099	3.3
149.13237	16.8
151.11243	3.8
151.14799	6.6
161.13237	15.5
163.14828	16.4
165.16422	6.5
175.14888	14.3
177.16444	4.4
179.17953	5.2
189.16406	8.6
210.89690	2.9
223.11046	2.7
229.07509	7.4
230.07802	5.2
245.22655	52.2
246.22668	3.0
247.08600	7.6
263.23712	61.8
337.27393	40.6
355.28372	11.4
355.34097	4.0
356.35263	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03928	5.0
55.05512	33.1
57.03437	7.3
57.07068	15.3
58.63130	3.6
67.05504	66.0
69.07062	34.5
69.90295	16.1
69.90693	9.6
71.08614	7.7
76.35629	3.8
79.05486	27.4
81.07059	100.0
83.05045	5.7
83.08613	34.8
91.05471	20.6
93.07034	28.8
95.08610	74.0
95.11208	3.6
97.06528	8.3
97.10170	12.8
99.08063	5.2
105.07040	14.6
107.08597	17.4
109.10163	37.4
109.11720	3.7
111.11729	5.9
119.08556	15.5
121.10155	32.3
123.11715	26.3
133.10143	17.4
135.11697	11.7
137.13239	13.4
147.11690	13.4
149.13289	19.8
151.14827	7.9
157.35243	4.2
161.13280	14.7
163.14864	10.9
165.16380	12.5
175.14809	12.6
179.17886	6.2
189.16406	6.4
245.22601	61.3
263.23737	67.1
283.06088	4.7
337.27353	43.0
348.01700	3.9
355.28467	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	16.9
55.84230	5.7
57.03434	6.8
57.07066	15.9
67.05502	67.6
69.07066	34.4
71.16013	12.9
79.05481	22.2
80.96178	5.5
81.07053	100.0
83.08601	25.5
84.64165	5.3
90.74142	5.4
91.05468	21.8
93.07058	32.4
93.68931	5.4
95.08606	84.4
97.10156	20.8
105.07021	14.7
107.08586	17.6
109.10146	45.5
111.11725	7.1
119.08565	11.0
121.06670	5.5
121.10130	15.8
123.11692	18.9
133.10109	22.1
135.11673	11.8
138.31087	6.0
147.11684	12.0
149.13232	12.2
150.67863	5.7
151.14792	7.8
161.13280	13.1
163.14821	15.4
175.14830	15.0
179.17928	9.7
194.97661	5.4
245.22652	56.3
256.93991	5.9
263.23706	63.2
337.27383	39.0
355.28326	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	355.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.8
55.01871	5.9
55.05517	9.3
55.25370	1.6
56.16004	1.7
56.96577	2.2
57.05343	1.6
59.77649	1.6
67.05508	21.6
69.07059	8.1
70.06578	1.6
70.95862	5.2
71.04992	4.1
79.05490	22.6
81.07060	100.0
83.04996	4.9
83.08609	4.4
85.06549	3.7
88.00910	1.9
91.05393	3.6
91.05873	3.7
93.07053	11.5
95.04959	3.6
95.08612	73.8
97.02895	2.5
97.06534	45.8
99.08091	4.6
100.07795	1.8
105.07022	10.2
105.47858	1.8
107.08606	5.1
109.10140	2.7
111.08101	4.4
119.08590	9.9
121.10162	3.3
123.08070	75.2
125.70125	1.7
133.10158	6.1
134.99797	1.8
135.11684	3.0
137.05983	2.1
137.53343	1.9
141.09099	57.0
145.10188	2.4
161.13263	21.0
163.03915	4.5
179.14305	17.1
197.15396	5.6
224.35803	1.7
253.03847	2.3
271.04895	3.8
285.01288	2.8
319.22546	2.5
334.61295	2.1
350.71164	1.8
355.15240	11.3
355.22748	3.9
355.27286	2.7
356.13727	3.7
356.22864	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
56.96551	0.5
58.06589	0.9
60.04527	0.4
61.28344	0.3
66.81789	0.3
67.05515	0.5
69.03419	1.1
69.76633	0.3
70.06593	12.4
70.52856	1.4
71.04991	0.5
72.08158	0.4
73.04755	0.7
78.78666	0.4
79.05479	0.4
81.07052	1.1
81.79087	0.4
85.02890	1.8
85.06547	0.5
85.07670	1.1
86.41852	0.4
87.05598	2.8
87.09232	100.0
88.07636	1.4
88.08926	0.4
88.09567	1.5
89.03932	1.1
91.05799	6.2
93.07053	0.6
95.04996	0.5
95.08611	0.4
97.02898	1.3
97.06532	0.4
98.97589	0.7
99.04494	0.4
107.04971	0.6
107.08577	0.4
110.06100	0.5
111.04442	0.5
111.08149	0.4
116.98644	0.5
117.03391	2.2
119.04928	0.5
121.02883	1.1
123.11800	0.3
127.03917	3.1
135.04448	3.9
135.11681	0.7
136.06125	0.6
136.07613	1.2
137.05988	1.1
145.02838	3.0
145.04938	0.5
147.04419	1.2
153.12762	2.4
157.05165	0.4
157.12218	0.4
163.03915	20.3
164.04295	1.2
164.07089	1.9
172.95216	0.6
177.05466	1.9
182.08156	1.9
185.03011	0.6
224.02477	0.4
224.10240	0.5
251.10579	1.0
268.97974	1.0
269.11548	1.1
280.05771	0.4
285.01031	1.3
291.50522	0.4
293.16055	0.7
303.02255	0.5
337.07962	0.6
344.50571	0.4
355.06726	1.7
355.15967	2.5
356.07233	0.4
373.07953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02309	0.6
55.01863	0.9
57.03428	1.1
61.02917	1.7
67.05502	1.3
69.03425	4.2
69.07056	1.0
70.06577	0.7
71.04987	1.7
71.59203	1.1
72.52797	0.6
73.02906	1.0
75.34628	0.6
79.05470	1.2
81.03394	1.8
81.07040	1.0
83.04990	1.2
83.06106	0.8
85.02428	1.1
85.02908	15.6
85.03423	0.8
86.09711	0.9
89.03906	2.0
91.03938	0.8
91.05416	1.3
93.07025	1.2
95.08663	0.6
97.02901	5.0
99.04460	0.9
105.07047	4.0
107.04940	1.3
107.08549	0.9
109.02859	1.4
109.06505	0.8
116.98666	0.7
117.03378	3.6
119.08575	2.1
121.06487	4.6
121.10158	0.7
127.03942	2.9
133.06482	2.7
133.10194	1.1
135.04408	9.1
137.06013	4.1
137.07001	1.1
145.02840	4.6
145.04944	2.2
145.06462	1.7
146.07256	3.6
147.08041	5.5
147.11664	2.6
151.07591	0.8
157.10191	0.7
158.12650	0.6
160.08824	7.8
163.03909	51.5
164.04214	2.0
173.09579	0.8
175.11186	100.0
176.11530	2.3
177.12923	0.6
193.12312	6.4
193.13994	1.1
197.09521	0.8
199.11206	3.2
203.10727	1.9
217.12206	2.3
222.82283	0.6
241.12170	1.0
283.13733	0.6
283.81482	0.7
301.14291	1.0
305.08005	0.7
319.15695	1.0
327.31894	0.7
355.07339	0.7
355.17142	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	355.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34509	0.2
67.05505	0.2
69.03428	0.3
69.07052	0.3
70.26475	0.2
71.10445	0.5
73.57430	0.1
75.62077	0.1
81.03425	0.3
81.07058	0.3
83.04952	0.2
85.02895	0.8
89.03903	0.6
91.05836	0.2
93.07031	0.3
95.04971	0.3
95.08615	0.3
97.02892	0.3
97.06559	0.2
98.97592	0.2
105.01858	0.3
105.07031	0.3
107.04951	0.4
107.08559	0.2
109.02939	0.2
109.10175	0.5
111.04466	0.2
117.03367	0.8
121.06522	0.2
121.10116	0.2
123.08083	0.2
127.03912	0.2
135.04422	2.1
135.11691	0.4
137.05969	0.6
139.11176	0.2
145.02827	1.5
151.77646	0.2
163.03903	11.0
164.04279	0.4
175.07547	0.2
193.62616	0.2
201.03719	0.4
201.05515	0.2
203.05360	0.3
251.07001	0.2
323.09030	0.4
355.17258	100.0
356.17569	2.5
373.17181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21847	0.3
50.53989	0.3
53.03948	0.8
54.58479	0.3
55.01862	0.8
55.05518	0.4
57.03451	0.7
61.02917	1.3
67.05498	0.8
69.03429	4.2
70.06586	0.3
71.04995	0.6
71.59039	0.5
73.02913	0.6
79.05473	0.7
81.03422	2.0
81.07056	0.4
83.04966	0.4
83.06078	0.6
85.02908	11.0
85.06562	2.3
89.03916	1.1
91.03955	0.5
91.05441	2.4
93.07037	0.5
95.04938	0.4
97.02892	4.2
99.04452	0.6
105.07029	3.8
107.04946	1.3
107.08594	0.3
109.02891	1.7
111.04443	0.4
117.03378	2.1
117.07010	0.4
119.08593	2.3
121.06506	4.7
127.03915	2.6
129.06938	0.5
131.04919	0.4
133.06490	2.2
133.10129	0.6
135.04433	4.9
135.08096	0.6
137.05998	1.1
137.07025	0.4
142.07803	1.0
145.02887	2.4
145.04982	2.4
145.06480	1.8
145.10065	0.4
146.07288	2.8
147.08058	6.5
147.11667	2.5
147.36871	0.3
157.10106	0.7
160.08839	7.3
160.20398	0.3
163.03911	30.4
164.04172	1.1
173.09656	0.7
175.11191	100.0
176.11510	2.0
193.12268	7.7
201.05466	1.2
203.05269	9.1
217.12228	0.4
244.07814	0.3
323.09128	1.2
355.17267	27.8
356.17746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1724
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
71.11263	1.5
71.11669	0.6
88.26849	0.5
135.04436	0.9
137.05945	0.9
141.09796	0.5
148.34270	0.5
163.03891	4.4
210.14790	0.8
285.87540	0.5
326.29538	0.6
355.17255	100.0
356.17545	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1725
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
51.12971	0.2
71.20646	0.5
78.16074	0.2
81.07061	0.5
96.83514	0.3
118.75665	0.2
118.92104	0.3
136.93056	1.4
137.05992	0.4
154.94153	2.6
163.03922	1.8
168.17479	0.2
172.95245	6.1
172.96736	0.3
190.96277	1.8
193.12036	0.9
203.05280	3.5
273.05759	0.3
279.06769	0.4
291.06778	2.3
292.06653	0.2
309.07733	3.4
325.10425	0.3
327.08844	3.6
337.10602	0.3
350.10611	0.4
355.17264	100.0
356.17526	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29385	1.0
52.36536	1.0
53.03942	2.5
55.01856	3.9
55.05490	2.0
56.96558	2.0
57.07058	1.3
65.03921	1.5
67.05490	4.2
67.68587	1.2
69.03410	2.2
69.07059	2.5
70.74506	2.3
71.04974	1.6
79.05496	7.0
81.03415	2.8
81.07046	2.7
83.04980	1.6
83.08624	1.8
86.09696	2.3
89.03906	2.6
91.05460	14.4
93.07064	5.3
95.04967	4.6
95.08602	2.7
97.02893	2.0
97.06544	2.0
103.05470	12.5
105.03381	1.2
105.07043	7.3
107.04934	8.1
107.08612	5.6
108.05759	2.8
109.06527	3.5
109.10150	1.8
111.04404	1.6
115.05449	8.6
117.03371	3.1
117.07003	8.6
119.04931	2.2
119.08593	2.8
120.05737	6.5
121.02902	1.4
121.06519	9.5
121.10137	2.0
123.04478	1.2
123.08077	1.4
125.09603	1.6
128.06229	6.3
129.07018	15.9
130.04182	1.4
131.04927	18.4
131.08606	2.1
133.06471	2.9
133.10101	3.2
135.04439	10.2
135.08031	8.0
136.05200	3.4
136.42671	1.1
137.05980	4.7
139.07507	1.4
139.98045	1.0
143.04869	1.2
145.02867	3.7
145.06500	6.6
146.07265	23.8
147.04396	2.1
147.08022	2.6
147.11597	1.6
148.05228	5.7
149.09627	2.1
151.07550	100.0
152.07913	1.7
156.05653	1.1
157.06493	14.5
157.10103	1.4
159.04422	3.3
159.08089	1.4
160.05205	2.7
161.05945	3.3
162.06773	2.8
163.02548	2.4
163.03911	40.3
163.07536	16.6
164.04323	1.9
165.09114	1.5
167.04916	2.0
167.07059	1.6
169.06450	1.6
171.08044	2.0
173.05992	24.7
174.06744	1.8
175.07541	14.2
177.05548	1.1
177.07616	2.3
177.09114	39.1
179.08546	1.8
185.06010	7.3
186.06865	1.5
188.08273	1.2
189.09030	6.5
190.96428	1.2
191.07028	46.3
192.07504	1.2
199.07539	10.1
206.07190	2.2
207.08170	2.1
211.02838	1.3
216.07541	1.3
217.08603	28.2
218.07162	1.2
219.07962	2.9
221.06088	1.5
222.06721	2.5
223.07471	1.4
224.08316	1.6
226.06239	1.4
234.06758	1.4
235.07625	2.7
236.08267	2.1
237.09056	2.8
241.08607	2.2
249.09064	1.7
251.07031	2.6
252.07742	1.7
265.08585	4.8
267.06595	1.6
267.10175	3.1
274.09891	3.2
275.10626	2.5
277.08670	2.8
277.12180	1.4
281.07825	1.6
290.09537	1.8
291.10196	3.3
291.63483	1.2
293.08160	1.8
294.08969	1.3
295.09543	3.5
297.11023	1.7
305.08441	1.8
305.11713	10.5
306.12463	7.5
307.09537	1.9
311.12637	3.4
322.11945	3.2
323.09232	4.0
325.10773	8.6
327.12384	1.7
327.15988	2.5
337.10593	2.0
337.14301	33.3
338.14539	1.5
355.11658	18.5
355.15503	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	355.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75595	1.8
53.03936	4.0
54.95854	1.5
55.01863	7.5
55.05508	4.8
56.96558	6.4
57.03422	3.4
64.54839	1.6
67.05508	11.6
69.03440	8.4
69.07064	12.0
69.92461	10.7
71.05007	2.2
74.61972	1.9
79.05482	21.0
81.03420	13.0
81.07053	16.7
83.04974	6.1
83.08621	2.7
85.02869	2.2
89.03922	3.5
89.95161	1.6
91.05421	15.3
93.07040	9.6
95.04937	8.1
95.08597	9.9
97.02893	19.6
97.06532	70.2
98.06866	1.9
98.97581	5.6
99.04447	3.1
103.05489	4.8
105.07030	15.7
106.07336	1.8
107.04947	10.2
107.08586	6.7
107.83163	2.0
109.02879	5.8
109.06537	5.0
109.10149	6.3
111.04409	2.2
111.08126	2.1
115.05436	5.0
116.98625	4.0
117.03375	4.4
117.07003	2.7
119.04955	3.1
119.08564	10.1
121.02852	2.1
121.06529	4.3
121.10120	5.3
123.08084	1.6
123.11698	3.0
125.09593	2.0
127.03920	4.7
128.06241	3.1
129.02812	1.9
129.06923	8.4
131.04883	2.9
131.08589	4.8
132.05713	2.7
133.06494	8.3
133.10138	5.0
134.99622	3.3
135.04404	11.4
135.08055	1.9
136.05188	7.6
137.05937	9.0
137.09604	1.9
139.07690	1.7
141.06976	2.2
143.08546	2.3
145.02846	6.9
145.04938	2.0
145.06480	6.5
146.99661	3.4
147.04402	3.2
147.08057	6.4
147.11655	9.1
149.05997	2.9
149.09598	1.9
151.07539	100.0
153.07030	2.3
155.08530	2.2
157.06470	2.9
157.10135	3.0
158.99677	2.8
159.08060	5.0
159.11739	2.3
160.05147	3.7
161.05997	15.4
161.16528	1.9
163.03908	34.0
163.11127	2.4
165.07005	3.2
165.09169	2.0
165.12704	3.3
167.07095	2.5
167.08546	3.7
169.06506	3.9
172.95308	3.1
173.06009	3.7
173.13202	2.1
175.03912	6.5
175.07547	36.9
175.11156	2.5
176.08073	1.8
177.00760	2.1
177.05493	8.2
178.07770	3.2
181.04944	1.8
181.06465	3.2
183.08054	2.0
187.07578	14.8
189.09149	2.6
190.07816	1.8
193.00041	5.0
193.04950	5.2
195.08064	6.1
197.06058	2.8
199.07533	17.4
201.05536	8.3
203.06920	2.6
203.08604	4.1
205.06517	1.9
206.07268	2.1
207.01649	1.9
207.08046	3.7
209.09360	1.7
211.07579	2.8
212.08319	2.5
213.05405	3.2
213.09113	4.4
215.06996	3.4
217.08472	2.0
218.07323	5.2
219.01726	3.7
219.08058	4.2
220.08813	2.1
221.09683	3.1
223.07561	2.9
225.09033	1.9
227.07036	4.9
229.08670	3.2
231.08154	2.6
231.10219	2.0
233.09576	3.7
234.06845	5.9
234.10402	2.9
235.07573	6.1
237.02835	4.4
237.05385	2.6
237.09084	3.6
239.07133	2.1
239.10493	2.2
241.08630	5.5
241.12224	7.4
243.06328	2.0
245.09514	2.1
247.07716	3.7
249.08990	2.5
250.09613	3.6
251.07063	2.6
252.07761	2.3
253.08672	2.9
253.11008	3.3
255.10284	2.4
259.09720	5.9
261.09207	3.6
262.06265	2.5
262.09958	4.8
263.06970	3.3
265.12427	9.6
267.10245	3.0
267.13782	3.2
269.07886	4.1
271.09613	6.4
271.12262	3.6
275.07449	2.0
275.10477	3.9
277.08572	6.0
277.12149	2.1
278.09317	3.9
279.06607	1.7
279.10052	2.3
283.13388	3.1
289.08737	1.8
291.10178	4.6
293.08463	2.5
293.11731	12.5
294.12381	3.7
295.09561	5.7
299.12860	3.3
305.08087	2.6
305.11636	3.3
306.12659	3.3
309.11108	3.3
309.14713	4.0
311.12781	8.3
313.10986	2.4
313.14371	4.4
323.09189	7.4
325.14325	15.0
327.12317	3.6
327.15811	2.3
337.10669	5.6
337.14352	9.2
355.07861	4.9
355.11636	18.3
355.15356	45.7
355.26245	2.5
356.15945	2.9
370.14160	1.8
373.15140	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87274	0.7
71.61169	0.7
71.61543	0.6
79.05491	1.6
81.07056	1.0
91.05456	5.1
93.07057	0.8
95.04955	1.4
95.08597	1.3
103.05460	1.8
105.07026	6.5
107.04951	7.8
108.05780	2.8
115.05487	3.6
117.07027	2.2
119.08547	3.0
121.06526	1.5
123.08074	0.6
128.06213	2.5
129.07002	3.7
131.04935	1.7
132.05699	2.5
133.06485	5.0
135.04408	3.8
136.05197	9.4
137.05989	1.0
139.07529	0.8
141.06905	0.7
145.06490	1.7
147.04482	0.7
147.08060	3.7
151.07547	100.0
152.07919	3.0
155.04892	1.6
157.06497	1.3
159.08063	2.9
160.05217	3.7
161.06000	9.9
161.09656	0.9
162.06853	0.7
163.03908	1.0
163.07571	0.8
169.06406	1.1
171.08084	0.8
172.05174	1.5
174.06851	0.9
175.07553	32.8
176.07976	1.3
177.09166	1.2
179.08571	0.7
184.05208	1.2
185.06036	1.2
187.07553	11.9
188.07903	0.6
189.09093	1.2
190.07906	0.7
191.08571	0.8
193.08623	0.9
199.07556	6.6
202.07800	1.4
203.08543	3.6
205.10081	1.0
207.08070	1.2
215.08650	1.4
218.07294	1.5
219.08109	4.3
220.08858	1.0
221.09619	1.6
225.08633	0.6
231.08022	3.3
232.08925	1.4
233.09628	4.0
234.10413	3.9
235.07558	1.5
236.08403	0.8
245.09612	1.6
246.06671	0.9
246.10432	1.0
247.07533	2.3
249.08986	1.4
250.10010	1.4
251.07095	0.7
251.10440	0.9
252.08133	0.7
259.07504	1.4
261.09222	3.5
262.09860	3.8
263.07147	1.0
263.10550	2.7
265.09366	1.0
265.12234	8.6
266.12830	0.7
273.09103	0.9
274.09808	1.5
275.10495	1.4
277.08859	0.7
277.12317	2.0
278.09457	1.8
279.10168	2.9
280.10535	0.8
290.09415	0.7
291.10043	3.7
292.10733	0.8
293.11670	8.6
294.09445	0.8
294.12421	4.7
295.09641	1.1
305.08527	0.7
305.11731	2.5
306.12589	4.1
307.09656	1.1
309.07547	0.7
309.11084	1.1
309.14575	0.9
310.12045	1.3
322.11667	0.8
323.12592	0.7
325.14346	17.2
336.09769	0.7
337.14307	4.4
343.21622	0.6
355.15201	2.6
356.12091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15596	1.2
56.96556	3.1
57.03421	1.1
67.05502	2.6
69.03454	1.5
69.96723	6.2
73.04761	2.5
74.16469	0.9
79.05494	2.2
79.32742	1.1
81.03465	1.4
81.07043	1.3
82.06583	4.6
83.04997	1.7
85.02913	3.5
87.04504	1.0
89.03933	6.1
91.05821	15.5
94.93378	1.0
95.08611	1.2
97.02882	2.1
97.52709	1.2
98.06042	1.1
98.97575	3.2
107.04969	4.5
110.06052	12.8
110.97612	1.2
116.98643	2.9
117.03373	6.9
117.49213	0.9
119.04964	2.1
122.05971	1.2
126.05549	4.9
127.03989	2.5
128.07053	1.4
128.98593	2.0
131.55510	1.1
134.99715	2.1
135.04431	21.2
135.05421	1.7
136.07585	33.6
138.05591	1.3
145.02852	13.2
146.99667	2.6
147.04408	3.7
152.07062	1.2
163.03920	100.0
164.04298	3.2
164.07080	67.9
165.07445	1.5
177.05522	3.0
182.08145	62.8
193.04985	1.6
219.01761	2.9
237.02829	6.9
268.98074	2.9
285.01108	6.0
303.02036	2.0
319.12885	4.6
337.14243	1.1
338.13477	1.9
353.14117	1.2
355.06738	9.9
355.15128	1.9
356.07422	2.2
373.07977	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58082	0.5
51.02091	0.5
53.03941	0.7
55.01871	0.9
55.05495	2.0
56.96554	0.9
63.90063	0.5
65.03929	1.0
67.05505	3.4
69.03403	1.9
69.07066	3.1
71.04987	1.2
71.60477	0.9
76.68169	0.5
79.05515	3.0
81.03407	1.1
81.07056	11.1
83.04974	0.9
83.08612	0.8
85.06540	0.8
89.03928	0.5
91.05405	3.0
93.07048	5.4
94.77680	0.5
95.04962	2.1
95.08617	6.5
97.02889	1.3
97.06528	1.5
100.11205	0.7
105.02335	0.6
105.07023	3.6
107.04951	1.0
107.08585	2.5
109.02890	1.0
109.06518	1.4
109.10160	2.9
110.03624	0.8
111.04398	0.8
111.08082	1.3
115.05442	0.9
117.07016	1.2
118.92099	1.4
119.08597	3.2
121.06588	0.7
121.10139	6.1
123.04404	1.2
123.08009	1.1
123.11699	1.7
125.05964	1.1
127.03916	0.6
129.06992	1.0
131.04927	1.2
131.08546	1.0
133.02788	0.7
133.06548	0.9
133.10129	1.6
134.06133	0.6
135.04411	1.1
135.08084	0.9
135.11661	1.5
136.93105	9.9
136.94110	0.5
137.05974	2.1
137.09610	1.8
137.13252	1.1
139.11157	0.9
145.02849	1.5
145.06470	0.6
145.10129	1.9
147.04451	0.7
147.08035	0.8
147.11661	1.0
149.05986	1.0
153.05426	1.8
154.94173	32.6
157.06546	0.6
157.10173	0.9
161.05994	3.3
161.09651	0.7
162.06741	0.8
163.03871	4.4
163.11229	0.9
165.06982	0.6
165.12808	1.0
167.07045	1.1
167.08470	0.7
172.95242	100.0
173.06001	1.2
175.07581	1.9
175.11131	1.1
175.14885	0.7
177.05536	1.2
177.12776	0.7
177.95721	1.6
178.07768	0.9
181.06577	0.6
181.12195	0.7
184.62016	0.6
185.05995	4.8
185.13341	0.7
187.07501	0.8
187.14755	0.7
189.09131	1.1
190.96288	60.4
193.04980	0.7
193.12239	1.0
195.96855	7.3
201.05493	2.1
205.06499	1.1
206.07320	0.6
207.08083	1.2
208.97258	1.1
210.14925	0.7
213.08963	0.6
213.12766	0.6
213.97935	3.9
218.98357	0.8
219.08025	0.8
220.05180	0.8
220.08635	0.6
222.06757	0.7
223.00693	0.6
234.06743	1.3
235.07509	2.2
236.94107	1.1
237.09073	1.2
241.01607	0.7
241.08600	0.6
241.12219	1.8
251.06909	1.1
254.95145	1.6
255.07884	0.7
261.05685	3.2
263.07083	1.3
264.07700	0.7
265.08551	1.3
273.05563	5.7
273.07980	0.5
277.08643	0.8
279.06738	5.7
280.07080	0.6
284.07303	0.8
291.06689	44.4
292.07242	0.7
293.07901	1.8
295.09680	1.6
297.11267	1.8
301.21887	1.0
305.08322	0.7
309.07755	60.4
310.08102	1.5
311.08588	0.7
311.12878	2.0
314.08337	5.7
319.22681	1.3
323.09167	2.8
325.10785	3.4
327.08810	55.6
328.09238	1.4
329.09213	0.7
332.09317	7.5
337.10696	2.1
337.23608	0.9
345.10083	1.6
350.10425	9.9
355.07913	3.5
355.11688	5.3
355.15955	3.5
373.11847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54905	0.6
53.03955	0.6
55.01859	1.0
55.05504	7.0
56.05033	0.7
56.96552	2.0
57.07051	1.3
58.06575	0.7
60.67693	0.5
67.05508	3.0
69.03412	2.3
69.07073	2.8
70.06596	2.9
71.04965	0.6
71.57977	0.6
71.58368	1.1
72.13234	0.6
79.05460	2.0
81.03397	2.5
81.06658	0.7
81.07060	10.9
82.06598	3.1
83.04955	1.6
83.08623	6.0
84.04490	1.7
84.08143	7.9
85.02885	1.6
85.06527	1.4
86.06040	1.4
86.09697	1.1
89.03893	0.9
91.05373	0.7
91.05795	1.7
91.58109	0.8
93.07012	1.7
94.06567	0.6
95.04942	1.6
95.06065	1.2
95.08603	5.8
96.08107	1.7
97.02893	1.5
97.06517	1.2
98.05996	0.6
98.09686	9.7
98.97564	1.4
100.07640	4.5
100.11256	18.5
102.92623	0.7
105.07023	1.5
107.04933	1.2
107.08583	1.1
109.02860	0.8
109.10169	0.8
110.06012	1.7
111.04443	3.8
111.05576	1.0
111.08043	0.6
112.07587	1.6
112.11227	1.6
113.02346	1.5
114.09167	1.7
116.98588	1.0
117.03353	1.9
117.13988	0.6
118.92095	1.6
119.08573	1.8
121.06488	0.7
121.10105	0.7
123.11687	1.2
125.55303	0.6
126.09125	1.0
128.07048	3.1
128.10703	1.7
130.08665	0.8
133.10056	0.5
134.99646	0.8
135.04402	4.7
135.11626	1.1
136.93092	10.7
137.05940	2.3
137.13232	2.2
140.07007	1.2
140.10646	1.1
141.10506	0.6
141.11481	3.5
145.02843	2.7
145.10089	1.2
147.11618	0.7
151.03864	0.7
154.12234	1.7
154.94159	32.9
155.11192	0.9
157.10130	0.8
159.11723	0.6
161.05963	0.8
163.03906	27.1
164.04295	1.0
165.12796	0.6
167.07076	0.7
168.13829	1.8
171.14865	0.8
172.95233	100.0
174.95644	0.6
175.11215	0.8
177.00644	0.7
177.95804	1.4
178.07831	0.6
182.15411	7.2
190.96278	59.2
193.05011	0.7
193.12283	1.6
195.96834	7.2
196.13394	0.8
197.01064	0.7
199.18042	1.9
201.05499	3.5
203.05252	2.4
204.66502	0.7
208.97328	1.0
209.16501	2.3
210.14893	9.2
210.16750	0.6
213.15944	1.1
213.97824	3.7
218.66241	2.9
223.00374	0.9
225.15956	0.7
227.17514	3.9
228.15993	1.3
233.15341	2.4
234.06834	1.0
235.07562	0.7
241.01466	1.0
260.20020	0.7
261.05615	3.2
273.05548	6.1
275.20413	1.3
277.08618	0.7
279.06711	4.9
279.09372	1.0
280.07260	0.6
281.18481	0.7
282.19382	2.8
290.05847	1.0
291.06680	47.9
291.73563	0.9
292.07138	1.3
292.23157	1.2
295.09286	0.9
303.73294	1.3
305.08124	1.3
309.07733	61.9
310.08203	1.4
314.08243	6.1
323.09204	1.7
325.10718	0.9
326.28067	0.7
327.08780	49.4
328.09119	1.0
332.09369	8.2
336.22705	1.6
337.06952	0.9
337.10739	2.3
337.16748	0.9
337.20935	0.7
345.09998	1.6
346.26028	0.9
350.10330	9.2
355.07724	1.8
355.11758	4.4
355.17279	31.2
355.26559	1.4
355.76456	1.3
373.12271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39097	0.3
63.02377	0.4
71.31815	0.4
71.32158	0.7
79.05495	0.3
83.04964	0.7
89.03908	3.8
89.55882	0.3
95.04942	0.5
107.04971	1.4
111.04416	0.4
112.98826	0.3
115.12611	0.3
117.02602	0.5
117.03381	5.7
135.04419	13.0
145.02855	9.3
145.03989	0.6
146.06364	0.3
149.98055	0.3
153.58870	0.3
157.44055	0.3
163.03906	100.0
164.04240	1.8
168.91846	0.4
183.47391	0.3
200.67424	0.3
211.55504	0.3
220.18149	0.3
337.09131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.19418	0.3
71.32071	0.7
79.05489	0.6
83.04948	0.3
83.66537	0.3
89.03909	3.6
95.04939	0.4
107.04938	1.0
111.04427	0.5
117.02595	0.5
117.03383	5.7
117.93893	0.3
135.04419	12.7
145.02835	10.3
163.03902	100.0
164.04291	1.4
265.28983	0.3
315.82687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
59.93351	0.4
63.02389	0.3
67.05485	0.4
70.06594	0.4
70.07488	1.5
79.05486	1.3
81.07043	0.5
85.02884	0.4
89.03916	6.6
91.05828	0.8
93.07042	0.6
95.04950	0.9
95.06058	0.4
97.02863	0.6
98.77036	0.4
98.97571	0.4
107.04929	1.9
109.06529	0.4
117.03383	7.1
121.02826	0.4
121.06532	0.8
122.06828	0.5
130.04990	0.7
133.02827	0.4
135.04417	17.9
137.05931	0.7
145.02849	13.0
163.03905	100.0
164.04222	1.3
164.94862	0.4
181.04984	0.5
193.05022	2.5
211.07281	0.4
232.36880	0.4
251.11066	0.8
343.59268	0.4
355.06992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.00308	0.3
59.76766	0.3
65.99690	0.3
67.05507	0.6
69.03425	0.9
70.51153	0.3
71.05914	0.3
71.06274	0.9
79.05492	1.0
81.03449	0.6
81.07063	0.6
83.04950	0.3
85.02894	0.4
89.03913	4.4
90.89915	0.3
91.05430	0.6
92.25481	0.3
93.07069	0.4
95.04981	0.7
96.29987	0.3
97.02907	0.4
105.01908	0.5
105.07024	0.5
107.04959	2.0
107.08636	0.6
111.04459	0.5
116.24432	0.3
117.03385	5.5
121.10148	0.3
127.03920	0.7
135.04428	15.1
137.06009	0.7
145.02866	11.0
147.43620	0.3
151.07472	0.3
163.03918	100.0
164.04245	1.6
175.07582	0.4
181.04956	1.1
182.05359	0.3
196.10573	0.3
355.12781	0.6
355.17343	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	355.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59750	0.2
63.02381	0.2
67.12665	0.3
71.38882	0.5
79.05501	0.9
83.04961	0.6
89.03915	5.3
95.04941	0.3
107.04955	1.5
111.04402	0.4
117.03383	7.6
118.03728	0.2
121.50963	0.2
135.04419	17.8
136.04724	0.2
145.02847	10.7
145.03998	0.6
147.04393	0.3
163.03905	100.0
164.04262	1.8
181.04770	0.3
183.51186	0.2
192.15030	0.2
220.90001	0.3
284.41330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.102
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
61.33805	0.5
67.05494	1.2
69.03417	1.0
70.07986	2.9
79.05495	1.7
81.03407	1.8
81.07060	3.3
81.07450	0.5
83.04990	0.6
89.03910	6.5
91.05457	0.5
91.29494	0.5
93.07019	0.8
95.04938	1.1
95.08586	2.1
97.02937	0.7
98.20755	0.6
107.04919	2.7
107.08561	0.9
111.04441	0.5
117.03375	8.1
118.92118	0.7
121.06529	0.6
127.03903	0.7
128.63251	0.5
135.04417	18.3
136.93098	7.8
137.05962	0.9
145.02847	13.5
147.04414	0.6
150.88855	0.6
154.94165	24.3
163.03908	100.0
164.04253	2.6
167.07014	0.5
172.95242	50.3
177.05504	0.6
177.34898	0.6
177.95801	1.1
190.96288	24.8
193.12207	1.1
195.96806	2.8
196.29268	0.5
201.03728	0.6
203.05266	5.5
208.97382	0.6
213.97911	1.5
218.01378	0.5
254.95239	1.0
261.05688	1.6
273.05624	2.7
279.06735	2.8
291.06689	22.5
309.07730	31.1
310.08044	0.8
314.08292	2.1
323.09122	0.7
327.08783	31.2
328.09140	1.0
332.09430	2.9
345.09857	1.1
350.10321	3.5
355.07770	0.9
355.12766	0.9
355.17334	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	354.3365
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
50.82882	0.9
53.33148	1.0
55.05518	6.0
57.05816	1.2
57.07076	10.4
58.02956	1.2
58.06598	14.2
58.30157	1.0
60.04518	5.3
64.16700	0.9
67.05510	5.4
69.07068	14.3
70.02951	2.5
70.06579	4.1
71.04983	1.4
71.08630	6.0
71.45346	1.6
72.04496	1.4
74.06076	1.6
81.07063	11.3
83.08624	10.0
84.08129	4.4
85.10184	2.7
86.06054	2.4
87.06848	1.9
92.29369	1.4
93.07027	1.7
95.04967	1.0
95.08608	10.0
97.10172	5.9
98.09689	1.2
109.10155	6.8
111.11703	3.2
112.07622	1.1
120.32603	1.0
123.11698	3.6
125.13264	1.4
128.94075	1.2
137.13235	1.9
227.39880	1.2
256.53448	1.1
268.29959	1.3
294.31509	2.5
306.31586	2.9
307.29947	2.2
308.33109	3.0
326.34180	3.9
336.32620	10.6
337.31125	1.1
354.33652	100.0
355.17599	2.2
355.33960	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	354.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.05509	18.3
55.55759	1.9
56.05825	5.8
57.03426	5.1
57.07055	6.5
65.03920	2.4
65.48239	1.8
67.05503	79.5
68.05843	24.5
69.07068	16.7
70.07394	4.0
70.77853	5.4
71.04967	3.0
71.08629	8.1
72.08939	4.1
79.05492	48.0
80.05833	14.6
81.07055	78.5
82.07388	30.8
83.04978	3.2
83.08603	7.8
83.17944	2.3
84.08936	5.4
85.06521	4.7
85.10177	3.2
89.03886	3.5
91.05471	19.8
92.05815	10.6
93.06470	4.1
93.07036	57.7
94.07366	29.0
95.04951	4.1
95.08047	3.6
95.08605	51.6
96.08936	24.5
97.06513	2.9
97.10140	5.9
99.08066	4.9
101.05986	2.4
105.07028	16.2
106.07350	7.2
107.08591	32.8
108.08926	21.7
109.10154	20.0
110.10481	11.5
111.08026	2.1
114.09991	2.4
117.07008	6.9
118.07340	5.7
119.08571	16.6
120.08904	7.7
121.10137	27.9
122.10485	17.7
123.11682	7.6
124.12023	6.6
129.49471	2.3
131.08594	15.0
132.08881	12.7
133.10107	11.1
134.10490	6.4
135.04425	2.8
135.11673	21.8
136.12024	17.6
137.13289	3.7
138.13606	4.0
145.10143	10.2
146.10469	8.4
147.11690	6.8
148.11977	7.6
149.13266	13.2
150.13570	14.0
158.67360	2.2
159.11691	10.3
160.12022	8.3
161.13261	8.0
162.13586	8.1
163.03920	34.3
163.14850	11.6
164.15196	10.1
173.13235	9.0
174.13625	12.2
176.15143	3.9
178.16685	6.1
179.14308	3.2
180.14633	4.4
187.14813	4.7
188.15147	7.3
202.16711	2.7
209.75006	2.4
233.22600	2.5
234.22946	7.7
243.21049	7.6
244.21413	37.6
261.22134	17.0
262.22476	100.0
263.22784	2.9
336.26050	15.7
354.26956	24.0
355.17740	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	354.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.05509	18.3
55.55759	1.9
56.05825	5.8
57.03426	5.1
57.07055	6.5
65.03920	2.4
65.48239	1.8
67.05503	79.5
68.05843	24.5
69.07068	16.7
70.07394	4.0
70.77853	5.4
71.04967	3.0
71.08629	8.1
72.08939	4.1
79.05492	48.0
80.05833	14.6
81.07055	78.5
82.07388	30.8
83.04978	3.2
83.08603	7.8
83.17944	2.3
84.08936	5.4
85.06521	4.7
85.10177	3.2
89.03886	3.5
91.05471	19.8
92.05815	10.6
93.06470	4.1
93.07036	57.7
94.07366	29.0
95.04951	4.1
95.08047	3.6
95.08605	51.6
96.08936	24.5
97.06513	2.9
97.10140	5.9
99.08066	4.9
101.05986	2.4
105.07028	16.2
106.07350	7.2
107.08591	32.8
108.08926	21.7
109.10154	20.0
110.10481	11.5
111.08026	2.1
114.09991	2.4
117.07008	6.9
118.07340	5.7
119.08571	16.6
120.08904	7.7
121.10137	27.9
122.10485	17.7
123.11682	7.6
124.12023	6.6
129.49471	2.3
131.08594	15.0
132.08881	12.7
133.10107	11.1
134.10490	6.4
135.04425	2.8
135.11673	21.8
136.12024	17.6
137.13289	3.7
138.13606	4.0
145.10143	10.2
146.10469	8.4
147.11690	6.8
148.11977	7.6
149.13266	13.2
150.13570	14.0
158.67360	2.2
159.11691	10.3
160.12022	8.3
161.13261	8.0
162.13586	8.1
163.03920	34.3
163.14850	11.6
164.15196	10.1
173.13235	9.0
174.13625	12.2
176.15143	3.9
178.16685	6.1
179.14308	3.2
180.14633	4.4
187.14813	4.7
188.15147	7.3
202.16711	2.7
209.75006	2.4
233.22600	2.5
234.22946	7.7
243.21049	7.6
244.21413	37.6
261.22134	17.0
262.22476	100.0
263.22784	2.9
336.26050	15.7
354.26956	24.0
355.17740	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	354.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31120	0.7
53.03948	0.9
55.05511	4.8
56.49842	0.8
57.03424	1.5
57.07064	0.7
64.88319	0.8
67.05521	0.8
69.03435	4.0
69.07070	58.4
70.06618	0.8
71.04990	1.9
71.10797	1.1
71.11138	1.9
77.85313	0.8
78.14713	0.8
78.24599	0.9
79.05493	1.9
81.03435	2.3
81.07047	3.7
83.04997	1.2
83.08633	2.4
84.93858	0.8
85.02911	15.4
91.05457	1.3
93.07028	2.6
94.07393	0.7
95.04954	1.1
95.08607	3.1
97.02905	3.2
97.06536	2.0
97.10184	2.0
98.97552	1.1
99.04497	1.0
99.08093	1.6
101.08349	0.7
105.01867	2.1
105.07034	1.5
107.04958	1.2
107.08598	1.9
109.02877	1.4
109.06549	1.0
111.11724	36.6
112.12057	1.1
113.07134	2.0
119.04922	0.8
119.08602	1.3
120.08143	1.1
121.10127	5.8
127.03934	5.4
135.73871	0.7
137.05998	5.1
139.11188	41.1
140.11517	2.2
145.02866	1.2
145.04938	4.5
147.04407	2.6
148.04773	0.8
157.12248	100.0
158.12584	4.1
161.00977	1.4
161.05952	1.3
163.03897	4.4
163.06081	1.6
177.12767	1.3
180.07698	1.3
181.04967	1.9
196.14528	1.2
210.14954	1.3
283.15594	1.1
284.85638	0.8
355.12878	1.0
355.17294	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	354.1185
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
56.96566	0.5
57.03420	1.1
57.38554	0.3
60.04518	1.0
61.02924	0.6
67.05489	1.0
69.03430	1.9
69.07032	0.3
69.93978	0.5
69.94390	1.6
70.06586	0.7
71.04974	0.7
73.02922	0.6
77.03943	0.4
79.05495	0.4
81.03404	1.2
81.07053	0.3
84.04520	0.5
85.02914	4.6
87.04456	0.9
91.05435	2.5
92.57870	0.3
93.07041	1.7
94.06572	3.9
95.04961	1.0
97.02872	1.8
98.97578	0.6
99.04424	0.4
103.05485	0.6
103.08671	0.7
104.07092	1.3
105.03378	0.4
105.07102	0.4
107.04968	0.4
107.08555	0.3
109.02865	1.4
117.03394	0.9
118.06527	4.4
119.04881	0.5
120.08205	0.3
121.06508	10.9
122.06048	5.1
127.03912	1.8
130.05014	5.6
134.03641	1.1
134.06042	0.8
135.04419	0.9
136.07542	0.4
138.09111	0.7
145.02861	1.4
145.05038	0.7
146.06015	12.5
147.04417	0.5
147.06808	0.4
148.07597	0.4
149.05917	0.3
150.05515	1.4
157.08574	0.5
162.03125	0.5
162.05515	1.2
163.03909	4.1
164.07068	5.5
172.95280	0.4
174.05511	100.0
175.05907	2.0
175.09726	0.5
176.07088	1.0
177.05498	2.5
181.04980	1.3
192.06560	51.2
193.05095	0.5
193.06908	1.0
222.11278	1.4
234.07614	0.3
250.10770	6.5
251.11050	0.3
268.11832	1.3
293.08957	0.4
336.10867	1.3
354.11850	56.7
355.07626	0.5
355.12140	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.5
57.03420	1.1
57.38554	0.3
60.04518	1.0
61.02924	0.6
67.05489	1.0
69.03430	1.9
69.07032	0.3
69.93978	0.5
69.94390	1.6
70.06586	0.7
71.04974	0.7
73.02922	0.6
77.03943	0.4
79.05495	0.4
81.03404	1.2
81.07053	0.3
84.04520	0.5
85.02914	4.6
87.04456	0.9
91.05435	2.5
92.57870	0.3
93.07041	1.7
94.06572	3.9
95.04961	1.0
97.02872	1.8
98.97578	0.6
99.04424	0.4
103.05485	0.6
103.08671	0.7
104.07092	1.3
105.03378	0.4
105.07102	0.4
107.04968	0.4
107.08555	0.3
109.02865	1.4
117.03394	0.9
118.06527	4.4
119.04881	0.5
120.08205	0.3
121.06508	10.9
122.06048	5.1
127.03912	1.8
130.05014	5.6
134.03641	1.1
134.06042	0.8
135.04419	0.9
136.07542	0.4
138.09111	0.7
145.02861	1.4
145.05038	0.7
146.06015	12.5
147.04417	0.5
147.06808	0.4
148.07597	0.4
149.05917	0.3
150.05515	1.4
157.08574	0.5
162.03125	0.5
162.05515	1.2
163.03909	4.1
164.07068	5.5
172.95280	0.4
174.05511	100.0
175.05907	2.0
175.09726	0.5
176.07088	1.0
177.05498	2.5
181.04980	1.3
192.06560	51.2
193.05095	0.5
193.06908	1.0
222.11278	1.4
234.07614	0.3
250.10770	6.5
251.11050	0.3
268.11832	1.3
293.08957	0.4
336.10867	1.3
354.11850	56.7
355.07626	0.5
355.12140	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84522	1.9
53.03941	3.8
55.05505	33.0
56.05817	2.0
56.96551	2.3
57.03428	8.6
57.07064	5.9
65.03931	3.5
67.05501	85.0
68.05825	2.3
69.07063	19.5
69.88760	1.8
70.08679	9.2
71.04988	6.8
71.08629	5.1
73.82439	1.7
73.96288	1.7
74.44229	1.7
75.04507	2.1
79.05484	35.8
79.65036	1.7
80.05836	1.9
81.03439	2.0
81.07051	100.0
82.97511	1.7
83.04977	23.3
83.08630	9.4
85.06553	3.4
90.32642	1.7
91.05478	24.5
93.07037	52.5
94.07350	2.8
95.04962	5.0
95.08601	70.4
96.08926	3.4
97.06516	5.6
97.10168	3.6
99.08082	8.5
105.07018	22.9
106.89796	1.9
107.04968	3.2
107.07874	3.1
107.08588	40.5
109.06494	3.5
109.10146	43.1
111.08112	3.2
113.09665	2.0
117.07003	11.1
119.08566	22.1
121.10130	29.7
123.08094	2.4
123.11703	22.6
125.30508	1.9
131.08572	18.5
133.10126	18.3
135.08041	2.8
135.11694	24.9
137.09592	6.7
137.13245	8.3
137.14325	2.0
145.10129	17.0
147.11673	14.2
149.09561	1.9
149.13271	21.0
151.11182	4.2
151.14885	4.7
153.12747	3.2
155.10631	1.9
157.10030	2.2
159.11635	14.4
161.13307	9.9
163.14783	13.6
165.12781	4.7
173.09685	2.4
173.13264	15.0
175.14795	4.2
177.16382	3.0
179.14368	2.7
183.21011	1.7
185.54567	2.2
187.14801	10.1
191.14368	2.5
201.16310	3.1
205.16014	2.4
217.52960	1.7
219.17438	2.0
233.22643	5.0
243.21068	19.9
259.20740	2.3
261.22128	87.8
279.23047	8.2
292.92087	2.0
294.24295	2.2
294.55200	2.5
335.25769	13.7
353.22769	2.5
353.26791	34.6
368.88861	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05520	12.7
57.03445	4.2
57.07071	4.7
67.05507	88.6
69.07059	12.9
71.04991	5.1
71.60411	3.6
76.12333	2.2
76.52497	2.8
79.05498	36.7
81.07059	100.0
83.04983	9.9
83.08617	7.4
85.06538	5.5
91.05476	20.1
93.07047	58.2
95.04963	7.0
95.08605	70.0
97.06538	7.1
97.10153	3.4
99.08094	2.8
105.07026	23.6
107.08597	37.1
109.06496	3.3
109.10157	39.1
111.08091	3.1
117.07031	9.9
119.08587	22.1
121.10152	31.7
123.11730	20.5
131.03233	2.6
131.08568	21.8
133.10152	18.1
134.27606	2.4
135.08038	4.9
135.11687	23.9
137.09726	2.9
137.13269	9.0
143.08601	5.4
145.10141	17.3
147.08058	3.0
147.11716	13.6
149.13258	17.0
151.14711	3.6
157.10078	5.4
159.11719	18.6
161.13318	13.3
163.14806	10.5
170.20763	2.4
171.11734	3.5
171.14438	2.2
173.13292	13.7
175.14821	6.4
177.16463	5.4
179.14343	3.4
187.14703	11.3
191.14442	3.6
201.16380	2.8
205.15872	2.9
215.14311	3.0
233.22768	4.4
243.21075	22.3
247.08321	3.4
261.22159	76.4
262.22440	6.3
278.16104	2.3
279.23157	6.2
335.26031	13.5
353.08749	2.4
353.14233	3.5
353.27237	24.1
354.27313	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.7
57.07062	6.4
67.05170	6.5
67.05505	84.8
68.22244	3.5
69.07053	15.7
69.68549	25.5
71.04977	4.6
71.08645	6.0
79.05499	50.7
81.07059	78.1
83.08612	11.0
91.05499	25.0
93.07047	64.3
95.04977	10.6
95.08612	71.1
97.06541	6.5
97.10162	4.8
98.48044	4.3
99.08125	4.2
105.07040	26.0
107.08604	44.3
109.06524	4.2
109.10154	32.3
117.07019	12.1
119.08549	23.8
121.10164	33.9
123.11724	17.9
129.07031	4.8
131.08582	25.3
133.10143	21.3
135.08057	6.3
135.11691	28.7
137.09546	3.4
137.13254	7.1
143.08536	7.8
145.10135	20.7
147.11671	12.5
149.13274	17.1
151.14763	4.7
157.10150	11.2
159.11732	17.4
161.13286	12.0
163.14809	9.5
165.12814	4.2
171.11687	4.1
173.13274	19.7
174.13925	3.7
177.16335	5.8
187.14809	9.6
213.16267	4.3
215.14226	3.9
233.22600	5.3
243.21060	23.0
261.22171	100.0
262.22507	5.9
273.26086	3.6
276.23270	5.3
279.23190	4.0
279.32004	3.6
294.24286	14.2
332.01321	3.7
335.25931	9.8
353.09088	3.0
353.13907	5.2
353.27206	31.7
354.26422	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.7
57.07062	6.4
67.05170	6.5
67.05505	84.8
68.22244	3.5
69.07053	15.7
69.68549	25.5
71.04977	4.6
71.08645	6.0
79.05499	50.7
81.07059	78.1
83.08612	11.0
91.05499	25.0
93.07047	64.3
95.04977	10.6
95.08612	71.1
97.06541	6.5
97.10162	4.8
98.48044	4.3
99.08125	4.2
105.07040	26.0
107.08604	44.3
109.06524	4.2
109.10154	32.3
117.07019	12.1
119.08549	23.8
121.10164	33.9
123.11724	17.9
129.07031	4.8
131.08582	25.3
133.10143	21.3
135.08057	6.3
135.11691	28.7
137.09546	3.4
137.13254	7.1
143.08536	7.8
145.10135	20.7
147.11671	12.5
149.13274	17.1
151.14763	4.7
157.10150	11.2
159.11732	17.4
161.13286	12.0
163.14809	9.5
165.12814	4.2
171.11687	4.1
173.13274	19.7
174.13925	3.7
177.16335	5.8
187.14809	9.6
213.16267	4.3
215.14226	3.9
233.22600	5.3
243.21060	23.0
261.22171	100.0
262.22507	5.9
273.26086	3.6
276.23270	5.3
279.23190	4.0
279.32004	3.6
294.24286	14.2
332.01321	3.7
335.25931	9.8
353.09088	3.0
353.13907	5.2
353.27206	31.7
354.26422	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16798	8.9
52.60478	8.9
53.12968	8.9
55.05513	26.8
67.05508	72.2
69.07056	28.6
69.95087	49.8
73.03078	10.8
79.05492	31.4
81.07055	100.0
83.08628	10.8
93.07037	27.9
95.08615	67.4
98.19002	10.6
105.06995	28.3
107.08598	30.4
109.10161	29.8
119.08537	19.1
121.10131	35.6
122.64218	10.7
123.11711	23.2
127.20692	10.4
131.08669	10.6
133.10135	21.1
135.11670	18.0
137.13219	10.9
149.06305	10.2
149.13229	12.6
161.13243	13.9
201.16508	10.9
243.21065	23.6
261.22116	34.3
353.08624	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.05511	12.9
56.24209	1.4
57.03423	5.1
57.07067	5.2
65.03908	2.0
67.05505	77.0
68.05833	2.0
69.07073	11.9
69.35635	13.6
71.04987	3.1
71.08623	2.0
71.98980	1.4
73.58974	1.4
74.81400	1.4
79.05495	38.8
80.05841	1.5
81.07056	74.0
82.07397	1.9
83.08618	8.4
85.06552	3.4
86.37204	1.5
91.05474	17.9
93.06469	3.0
93.07041	51.1
95.04992	2.3
95.08604	65.5
97.06507	3.0
97.10151	2.9
99.08099	2.4
105.07018	15.0
107.08601	38.5
109.06551	2.4
109.09454	3.1
109.10158	36.0
111.08064	2.5
117.07023	6.7
119.02886	1.5
119.08572	13.7
121.10152	28.8
121.11010	1.9
123.11714	22.2
131.08566	18.5
133.10143	12.6
135.11699	23.6
137.09625	1.8
137.13246	8.0
145.10120	13.5
147.11691	13.0
149.13266	19.4
151.11163	2.6
151.14862	2.5
153.12662	1.6
159.11694	14.0
161.13235	8.2
163.14833	12.2
165.12767	1.6
173.13268	17.8
175.14812	4.8
177.16374	4.7
187.14807	11.1
201.16382	3.4
215.17821	1.9
233.22649	3.4
243.21075	23.5
261.22147	100.0
262.22424	6.7
270.47528	1.5
279.23221	4.6
335.25797	7.1
353.26868	37.2
354.27136	3.9
365.05499	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05501	14.6
57.03410	9.4
57.85044	3.8
60.78326	3.5
61.51668	3.0
67.05503	100.0
69.07063	11.0
69.62035	23.7
71.08620	3.1
79.05488	37.4
81.07056	93.8
83.08601	10.5
88.92163	3.1
89.04517	3.6
91.05485	17.1
93.07043	60.3
95.08595	75.6
97.06559	4.2
98.06101	3.5
98.21500	4.9
105.07033	18.4
107.08595	33.9
109.10146	37.8
114.39909	3.5
117.07039	6.5
119.08590	10.0
119.70890	3.2
121.10131	32.9
122.90760	3.1
123.11720	20.4
131.08574	22.0
133.10143	12.8
135.11667	19.7
137.13249	3.8
145.10098	12.9
147.11653	9.6
149.13248	18.0
159.11703	12.8
161.13242	7.0
163.14804	16.4
173.13248	13.1
175.14809	4.5
177.16254	3.8
187.14766	8.5
201.16351	4.4
232.17702	3.8
233.22629	5.6
243.21010	23.6
261.22128	92.6
279.23123	7.1
335.25754	10.5
353.26797	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.05505	11.5
57.07069	3.8
65.03941	2.8
67.05508	75.9
69.07069	10.1
71.04996	2.8
79.05496	42.5
81.07062	82.1
83.08625	5.7
91.05485	17.9
93.07046	47.3
95.04965	2.3
95.08611	60.9
97.06525	4.7
105.07039	15.2
107.08603	40.7
109.10162	34.6
113.09640	3.6
115.58317	2.3
117.07021	6.9
119.08553	12.1
121.10149	34.8
123.08083	2.4
123.11700	14.6
131.08566	17.7
133.10138	14.4
135.11694	30.4
137.13260	10.0
145.10120	16.1
147.11662	11.1
149.13240	20.1
150.13550	2.4
151.14819	3.4
153.12729	2.1
159.11731	13.8
161.13258	7.4
163.14839	12.4
165.12787	3.0
173.13278	17.5
177.16412	6.3
179.14241	2.3
187.14836	10.0
191.76183	1.9
193.19318	2.2
193.53471	1.9
201.16422	3.5
205.15851	2.3
233.22688	3.9
243.21115	26.1
261.22162	100.0
262.22495	4.5
267.60074	2.3
279.23383	4.8
310.45007	2.3
335.25925	8.6
353.26859	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.05510	11.0
57.03422	3.0
57.07067	2.9
65.03938	2.8
67.05502	75.8
68.05833	1.2
69.07060	11.5
70.17326	4.1
71.04982	1.8
72.04308	1.4
79.05490	40.3
80.58542	1.1
81.07054	84.3
81.25234	1.3
83.04969	1.3
83.08623	6.9
85.06535	2.7
91.05479	19.9
92.60748	1.2
93.07042	55.0
95.04993	2.2
95.08607	56.6
97.06508	2.2
97.10142	2.0
99.08083	2.9
105.07034	16.1
107.08594	35.2
109.06545	1.8
109.10155	32.6
111.08075	2.3
117.07001	7.9
119.08582	13.4
121.10141	30.8
123.11709	15.7
129.06982	1.3
131.08574	18.5
133.10120	11.4
135.11684	26.9
137.13263	7.6
139.11266	1.3
145.10127	13.5
147.11685	10.4
149.13249	20.3
151.11134	2.3
151.14873	1.9
159.11665	13.8
161.13295	8.3
163.11159	1.6
163.14841	13.0
165.12778	1.8
173.13242	12.3
175.14813	3.6
177.16351	4.5
179.14320	1.5
187.14799	8.7
189.16330	1.5
201.16341	2.9
219.17397	1.5
233.22595	4.8
243.21051	26.9
261.22134	100.0
262.22290	1.9
263.23502	1.3
279.23047	4.0
285.17722	1.2
335.25797	8.1
353.26831	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	2.7
55.05507	12.1
56.92248	1.6
57.03429	5.5
57.07072	2.8
67.05503	70.8
69.07052	9.0
71.04702	3.7
79.05489	30.4
79.11440	1.6
81.07054	79.9
83.08613	2.5
85.06506	1.9
85.69427	1.7
88.69859	1.7
91.05476	16.8
93.07042	41.2
95.04949	1.8
95.08604	59.0
96.76333	2.0
97.06554	2.2
97.10166	3.5
105.07035	13.0
107.08587	30.2
109.10150	31.9
110.16003	1.6
114.95793	1.8
117.07018	5.8
119.08579	10.1
121.10143	26.2
123.11718	19.6
125.09646	1.8
131.08565	15.6
131.83028	1.7
133.10114	13.2
135.11700	25.2
137.13249	7.0
143.08589	1.7
145.10112	11.8
147.11667	8.9
149.13248	16.5
151.14882	2.1
159.11656	10.3
159.30650	1.7
161.13225	9.1
163.14813	11.8
173.13264	14.0
175.14926	1.8
177.16376	4.1
187.14775	8.9
191.14432	1.9
194.88928	2.1
201.16444	3.0
233.22644	2.8
243.21060	27.9
243.85735	1.7
261.22144	100.0
276.27966	1.9
276.62195	1.9
276.95227	1.9
279.23242	7.2
335.25757	16.8
353.26801	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.52335	2.0
55.05515	16.5
57.03429	8.5
57.07076	3.9
65.03925	2.8
65.95313	1.7
67.05506	92.6
67.81278	1.9
68.05820	1.9
69.07072	15.1
70.17383	8.9
71.04992	4.0
79.05501	40.0
81.07058	100.0
82.07391	2.6
83.08615	6.8
85.06519	2.5
91.05473	17.7
93.07048	55.0
95.04936	2.5
95.08611	76.1
96.08952	3.1
97.06502	3.6
97.10164	2.5
99.08102	1.9
105.07037	15.2
107.08596	35.8
109.10155	36.8
117.07031	9.0
119.08595	13.2
121.10145	33.9
123.11706	21.0
129.59254	1.8
131.08563	20.1
133.10138	17.4
135.11700	28.6
137.13277	8.9
145.10127	16.7
147.11700	11.2
149.13271	20.0
151.14783	2.9
159.11693	11.5
161.13243	11.0
163.14825	14.4
165.12631	2.2
173.13245	13.3
175.14740	2.9
177.16422	5.4
187.14816	9.0
201.16348	2.1
233.22581	6.5
243.21114	26.0
261.22141	91.5
262.22571	4.5
279.23203	9.1
296.73581	2.0
335.25824	16.7
353.26871	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66421	1.6
51.40960	1.5
53.03949	1.6
55.05526	9.5
57.03442	4.3
57.07069	5.9
67.05510	73.3
68.05819	3.0
69.07063	10.8
69.68252	1.5
70.95029	1.6
71.08636	3.1
79.05501	39.2
81.07063	80.4
82.07380	2.8
83.04996	2.2
83.08643	8.3
85.06546	2.6
88.77742	1.7
91.05491	17.2
93.07049	52.2
95.08615	61.5
97.06561	3.2
97.10170	2.8
98.20698	3.8
99.08102	4.2
105.07027	16.1
107.07887	1.8
107.08601	32.3
109.06505	2.1
109.10168	29.6
110.10428	1.8
111.08115	3.8
117.07021	7.0
119.08569	13.6
121.10154	32.4
123.08070	4.2
123.11725	16.3
125.67704	1.6
127.12782	2.1
131.08589	15.1
133.10175	10.6
135.11708	24.4
137.09598	1.7
137.13287	7.7
145.10136	15.5
147.11699	10.9
149.13289	19.4
151.11305	1.6
159.11671	11.4
161.13274	8.4
163.14848	15.3
173.13319	14.9
175.14809	3.7
177.12781	1.9
177.16466	4.1
187.14841	7.9
191.14262	2.3
201.16333	2.0
205.15756	2.7
229.15414	1.8
233.22609	5.4
243.21092	34.5
244.21606	2.0
261.22168	100.0
262.22528	7.3
279.23276	3.7
335.26038	11.8
353.26862	28.5
354.27078	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	3.3
55.05506	15.7
56.96555	2.9
57.03425	5.0
57.07067	6.9
64.39362	2.0
65.03954	2.4
67.05507	88.1
69.07084	14.3
71.04985	4.1
71.08628	4.4
71.35287	4.8
72.19125	2.1
76.70656	1.8
79.05492	51.7
79.77537	2.0
81.07059	90.3
82.07379	2.7
83.04979	3.6
83.08613	9.4
85.06544	3.8
85.10138	3.2
91.05489	29.3
93.07043	64.3
94.07367	2.5
95.04964	6.2
95.08609	76.4
96.08941	3.0
97.06511	5.8
97.10173	3.0
99.08086	3.2
103.05484	2.7
105.07040	18.7
107.04951	3.3
107.08595	50.1
109.10159	38.7
113.09666	4.7
117.07026	9.3
119.08581	16.0
121.10143	37.1
123.11719	14.9
129.07022	2.6
131.04901	5.2
131.08571	26.1
133.06476	2.2
133.10139	13.8
135.11707	31.0
137.09590	4.5
137.13272	10.6
145.10124	16.2
147.04454	2.2
147.08090	1.8
147.11678	11.9
149.13264	26.6
151.14789	4.4
153.12680	2.4
159.11713	14.9
161.06068	2.7
161.13304	11.3
163.11234	2.5
163.14828	18.3
167.07004	8.1
171.11702	2.5
173.13264	17.0
175.14821	4.7
177.12785	3.3
177.16374	6.9
187.14835	12.4
190.07800	2.0
191.07018	20.4
199.07512	2.2
215.08551	4.1
217.19557	2.2
218.07300	4.5
231.07901	2.1
232.08888	3.2
233.09644	7.9
233.22588	8.0
235.07510	4.2
243.21080	37.7
246.06712	4.8
247.07555	2.7
247.28473	1.9
259.72272	2.0
260.08417	3.9
261.09082	8.1
261.22147	100.0
262.22479	6.0
263.06879	3.1
274.06235	2.3
275.07077	4.0
278.09299	3.7
279.23157	2.9
289.08612	22.4
290.06100	2.8
290.09213	7.6
291.06671	2.2
291.09927	2.9
293.11746	4.6
305.08063	2.0
306.08807	5.3
317.24731	2.4
321.11197	40.8
322.11542	6.2
335.25891	12.6
353.09641	3.0
353.13840	25.1
353.26984	14.9
354.14139	3.4
354.26630	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	353.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65197	2.2
55.01864	3.1
55.05496	7.9
57.07073	5.0
67.05502	13.1
69.03424	6.5
69.07057	9.5
69.16906	2.3
69.99290	15.2
71.04996	22.1
77.47875	2.3
79.05489	13.7
80.05014	2.5
81.03399	2.8
81.06621	3.9
81.07063	28.0
83.04984	6.8
83.08617	7.0
85.06540	3.5
88.22463	2.2
91.05490	20.6
93.07043	27.9
95.04967	51.2
95.08606	26.0
97.06525	7.4
97.64548	2.2
98.94487	2.4
102.78156	2.5
103.05502	3.8
105.07034	45.3
107.04876	2.6
107.08603	41.8
109.06531	17.1
109.10143	20.2
111.08094	3.4
117.07013	9.4
119.08588	47.2
121.06474	7.3
121.10151	31.0
123.08041	10.2
123.10943	2.4
123.11723	17.7
128.06216	14.3
129.07010	7.9
131.08578	32.3
133.06470	3.2
133.10139	37.1
135.08060	32.8
135.11700	30.7
137.09665	6.5
139.11259	3.0
141.06996	4.1
142.07773	10.7
143.08569	29.0
145.06551	4.0
145.10124	31.2
147.07999	13.3
147.11722	12.1
149.09619	14.9
151.11229	5.7
155.08551	9.2
156.09357	6.4
157.10132	29.4
158.10851	3.1
159.08069	13.6
159.11682	27.1
160.05107	2.8
161.09633	62.1
161.13245	9.0
163.11201	7.6
167.08589	4.3
168.09322	4.1
169.10144	9.6
171.11676	16.5
173.09624	9.6
173.13268	17.9
175.11226	5.9
175.14844	3.8
180.09262	3.2
181.10123	5.7
182.10922	6.4
183.11711	9.9
185.13310	14.6
185.14642	2.6
187.11229	5.8
187.14807	11.5
189.12759	7.3
189.16370	4.8
191.14217	3.5
193.10083	4.1
195.11713	11.7
197.13344	12.5
199.11211	3.6
199.14847	6.5
201.12663	6.3
201.16420	3.0
203.14301	5.8
205.15804	4.8
206.10771	2.7
208.12466	3.6
209.13252	10.0
211.14821	8.9
213.12752	17.9
213.16339	4.7
215.14291	22.3
217.15996	3.3
221.13287	6.7
223.14857	7.5
225.16426	4.2
227.18018	3.7
229.15860	2.9
231.13840	4.1
233.06067	2.6
235.14954	3.1
237.16304	4.1
253.19514	6.1
265.19485	7.1
271.20673	4.6
277.19531	8.2
283.20651	7.4
293.22598	6.9
295.20596	19.7
311.23694	7.0
321.11313	3.5
335.23645	30.7
353.13873	6.8
353.24756	100.0
354.24866	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01001	0.2
53.63344	0.2
55.05506	0.5
56.96568	0.3
61.45531	0.2
66.49292	0.2
67.05473	0.6
69.03429	0.6
69.07070	0.5
71.59757	0.2
75.79883	0.2
79.05489	0.6
81.03417	0.4
81.07036	0.6
83.04987	1.6
83.08633	0.4
91.05485	0.5
93.07037	0.5
95.04964	0.4
95.08607	0.5
97.02888	1.1
97.06497	0.4
105.07023	0.6
107.04920	0.2
107.08562	0.3
109.02864	0.4
109.10133	0.5
111.04433	1.4
119.08562	0.3
131.08601	0.3
133.10059	0.2
137.05928	0.2
145.10158	0.3
163.11136	0.4
167.07027	0.2
171.11665	0.3
191.07042	0.3
199.07553	0.2
227.07173	0.2
257.08115	0.4
261.09030	0.3
307.09628	0.2
321.11325	0.4
325.14374	0.4
335.21698	0.4
353.14246	2.2
353.22986	100.0
354.23291	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
53.34003	1.2
55.01879	1.5
55.05512	6.9
55.53892	1.3
57.03434	2.1
57.07067	5.7
59.06129	19.7
60.04516	3.6
67.05504	19.8
69.03433	12.2
69.07072	14.4
69.20226	1.4
70.06596	2.0
71.04997	31.5
71.08626	2.7
71.60261	2.3
72.08156	3.0
73.02898	1.6
79.05494	4.0
81.03418	4.7
81.07062	72.7
83.04987	5.5
83.08608	2.6
85.02899	11.8
85.06549	29.0
86.09702	2.1
87.04464	1.6
91.05479	4.7
93.07040	6.8
95.04973	3.1
95.08611	62.4
97.02897	6.3
97.06519	2.3
99.04420	1.7
99.08104	6.3
101.07141	36.5
105.07042	4.1
107.08610	6.0
109.02857	2.1
109.06543	2.2
109.10166	9.8
109.50592	1.4
111.04456	3.7
111.11697	2.4
115.05443	1.5
117.07042	1.9
119.08593	4.0
120.08077	1.4
121.06540	2.7
121.10148	3.4
123.08055	2.1
123.11675	2.4
123.39575	1.5
125.06112	1.9
127.03935	4.9
131.08557	7.5
133.10133	3.2
135.08052	3.3
135.11754	1.9
137.13249	15.3
138.09966	2.9
143.08620	1.8
145.10161	7.4
147.04430	3.2
147.11719	1.9
147.18753	1.4
149.09590	4.2
155.14314	100.0
156.11011	4.1
156.14627	2.4
159.08083	1.5
159.10153	2.2
159.11523	1.6
161.05988	1.6
163.14848	2.4
164.07024	1.9
167.07114	2.3
169.05122	1.4
173.09602	3.2
173.13289	5.3
173.15379	52.2
177.05414	3.1
181.04991	2.3
191.10689	5.6
191.14343	27.1
191.16438	20.0
192.14740	2.4
198.39856	1.4
206.68718	1.7
217.46268	1.4
271.13425	1.7
289.11545	1.7
317.11270	2.1
335.12332	2.4
353.08374	4.6
353.19623	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	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
53.34003	1.2
55.01879	1.5
55.05512	6.9
55.53892	1.3
57.03434	2.1
57.07067	5.7
59.06129	19.7
60.04516	3.6
67.05504	19.8
69.03433	12.2
69.07072	14.4
69.20226	1.4
70.06596	2.0
71.04997	31.5
71.08626	2.7
71.60261	2.3
72.08156	3.0
73.02898	1.6
79.05494	4.0
81.03418	4.7
81.07062	72.7
83.04987	5.5
83.08608	2.6
85.02899	11.8
85.06549	29.0
86.09702	2.1
87.04464	1.6
91.05479	4.7
93.07040	6.8
95.04973	3.1
95.08611	62.4
97.02897	6.3
97.06519	2.3
99.04420	1.7
99.08104	6.3
101.07141	36.5
105.07042	4.1
107.08610	6.0
109.02857	2.1
109.06543	2.2
109.10166	9.8
109.50592	1.4
111.04456	3.7
111.11697	2.4
115.05443	1.5
117.07042	1.9
119.08593	4.0
120.08077	1.4
121.06540	2.7
121.10148	3.4
123.08055	2.1
123.11675	2.4
123.39575	1.5
125.06112	1.9
127.03935	4.9
131.08557	7.5
133.10133	3.2
135.08052	3.3
135.11754	1.9
137.13249	15.3
138.09966	2.9
143.08620	1.8
145.10161	7.4
147.04430	3.2
147.11719	1.9
147.18753	1.4
149.09590	4.2
155.14314	100.0
156.11011	4.1
156.14627	2.4
159.08083	1.5
159.10153	2.2
159.11523	1.6
161.05988	1.6
163.14848	2.4
164.07024	1.9
167.07114	2.3
169.05122	1.4
173.09602	3.2
173.13289	5.3
173.15379	52.2
177.05414	3.1
181.04991	2.3
191.10689	5.6
191.14343	27.1
191.16438	20.0
192.14740	2.4
198.39856	1.4
206.68718	1.7
217.46268	1.4
271.13425	1.7
289.11545	1.7
317.11270	2.1
335.12332	2.4
353.08374	4.6
353.19623	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	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.0
55.01867	9.2
55.05509	26.7
57.03441	14.6
57.07076	17.9
65.03928	5.5
67.05510	27.1
69.03078	4.9
69.03430	63.7
69.07070	35.5
69.34981	3.0
69.72601	16.5
71.01350	5.3
71.04993	6.9
72.05400	2.8
73.02909	3.4
75.05937	2.6
79.05490	20.3
81.03426	19.5
81.07063	58.1
81.07531	6.5
83.04983	22.7
83.08630	18.5
85.02910	34.2
85.06534	7.1
87.00775	3.2
87.04461	4.9
91.05470	24.7
93.07048	45.1
95.04969	28.2
95.08025	1.8
95.08602	50.8
97.02891	34.5
97.06535	10.4
97.10169	2.9
98.97598	3.0
99.04462	12.6
105.07036	25.8
107.04936	5.5
107.08591	61.8
109.02895	5.2
109.06508	32.5
109.10171	39.9
111.04448	15.5
111.08094	26.3
113.06024	2.8
113.09639	6.9
114.05534	6.8
115.03945	9.2
117.07050	12.0
119.04936	5.3
119.08569	39.0
120.08114	3.3
121.06519	16.5
121.10146	62.9
123.04431	5.3
123.08095	28.6
123.11717	45.1
125.05964	6.6
125.09633	6.8
127.03916	17.2
127.07570	7.0
129.05473	4.0
129.07025	3.5
131.08583	37.8
133.06505	5.3
133.10132	28.8
135.08069	19.1
135.11685	35.5
137.05960	17.1
137.09624	14.9
137.13248	7.8
138.05534	7.1
139.07562	3.9
139.11206	4.5
143.08594	5.3
145.02814	4.8
145.05013	6.6
145.06509	4.8
145.10127	14.9
147.04401	16.9
147.08064	4.5
147.11674	18.2
149.09666	6.2
149.13260	57.7
151.07600	8.8
151.11185	7.7
153.09117	10.2
155.07013	11.6
157.10152	3.5
158.10921	4.4
159.11586	6.1
161.02400	4.3
161.06061	8.0
161.09648	5.3
161.13275	9.8
163.07555	5.9
163.11220	9.0
163.14830	28.1
165.09113	4.7
167.07047	2.8
167.14322	17.2
171.10239	6.2
171.11649	3.1
173.09644	8.0
173.13245	31.6
175.11200	5.7
175.14833	14.7
177.05464	8.1
177.09087	3.4
177.12766	4.5
179.03389	12.7
179.10670	3.5
179.14366	16.6
181.04942	45.4
181.08502	3.8
181.12206	4.0
185.13326	4.3
187.11267	4.0
189.08994	3.7
189.12791	5.2
191.06993	4.2
191.10715	18.2
191.14325	45.1
193.08601	4.5
203.14288	6.3
207.13774	5.1
209.11836	5.2
209.15382	29.0
221.15382	5.5
233.15364	4.9
249.14911	5.5
251.12697	3.2
261.09152	4.0
273.11786	3.4
296.39050	2.9
306.18158	3.3
317.17490	8.0
321.11212	8.1
321.18338	2.7
325.07147	4.2
335.18729	13.2
353.06696	5.2
353.14777	8.6
353.19629	100.0
354.11731	15.7
354.19797	3.4
364.40994	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01857	8.4
55.05514	24.3
57.03441	15.2
57.07072	15.7
61.02934	3.8
62.20819	2.3
67.05507	29.1
69.03087	3.9
69.03437	62.3
69.06731	3.1
69.07075	38.7
71.04990	8.4
71.48251	5.0
73.02912	4.0
79.05498	27.8
81.03412	13.1
81.07061	64.6
83.04983	21.2
83.08616	25.8
85.02910	24.9
85.06552	15.7
87.04458	3.5
91.05457	22.9
93.07047	44.0
95.04986	21.4
95.08611	78.7
97.02892	23.1
97.06548	13.4
97.10139	4.0
99.04476	7.2
103.03922	3.5
103.05457	2.5
103.75751	2.6
105.03374	2.9
105.07037	33.3
107.04952	4.2
107.08602	63.9
109.02909	4.9
109.06524	33.9
109.10166	42.8
111.04434	10.8
111.08092	25.9
111.11781	2.4
113.06038	4.6
113.09670	6.9
115.03938	12.4
117.06999	7.1
119.08589	36.8
121.06520	15.3
121.10146	81.5
121.11025	4.1
123.04417	3.2
123.08079	29.5
123.10826	3.4
123.11719	57.1
125.05993	7.8
125.09644	6.1
127.03937	14.7
127.07572	5.1
129.05498	3.6
131.08578	27.9
133.06494	4.1
133.10135	24.5
135.08044	19.0
135.11693	43.1
137.05997	17.6
137.09598	15.8
137.13226	13.5
139.07593	5.7
139.11183	5.6
143.08571	5.8
145.04921	5.8
145.06528	3.9
145.10191	13.2
147.08055	7.7
147.11687	11.3
149.09627	10.9
149.13269	61.3
151.07539	5.8
151.11166	5.8
153.09094	11.7
155.06998	12.0
155.10645	3.2
155.14282	3.5
157.10143	5.7
158.10902	3.4
159.11728	5.5
161.09581	4.4
161.13309	12.1
163.07515	3.5
163.11256	6.7
163.14841	25.9
165.09085	4.6
167.10690	2.6
167.14284	13.5
171.10190	5.5
171.11678	4.5
173.09630	4.7
173.13281	26.0
174.12094	6.3
175.11234	4.1
175.14847	9.3
177.09126	3.2
177.12729	4.8
179.10748	3.2
179.14354	19.4
181.04991	4.5
181.08693	5.5
181.10431	2.6
181.12231	4.7
189.12796	7.0
191.10663	8.1
191.14293	42.9
193.12364	2.8
193.15955	2.8
203.14377	6.7
205.15819	3.4
207.13828	3.9
209.15430	23.2
215.14323	3.2
221.15396	6.5
222.48006	2.6
237.14771	3.6
249.14922	3.9
317.17529	3.5
335.18655	11.1
353.15387	6.0
353.19629	100.0
354.11749	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05497	0.6
57.03429	1.1
59.06108	0.7
59.91298	0.4
61.02901	1.3
67.05479	1.1
69.03429	6.2
70.06570	1.2
71.04974	0.5
71.58643	0.4
71.59096	0.5
73.02908	1.0
79.05471	1.5
81.03413	2.0
81.07030	1.6
83.04961	1.8
84.08123	0.7
85.02431	0.6
85.02904	8.6
85.07690	0.7
86.09692	1.0
87.04447	1.2
91.03947	0.8
91.05503	2.5
93.07031	0.9
93.40157	0.4
95.04947	0.6
95.08594	0.8
97.02888	4.4
98.97578	0.5
99.04430	0.7
101.07137	2.2
103.05460	0.8
103.08724	0.9
105.07037	2.5
107.04917	1.7
107.08538	1.0
109.02865	1.6
109.10146	0.9
111.04472	1.1
115.05436	0.6
117.07015	5.8
119.08630	0.5
121.06488	0.5
123.04408	0.5
127.03941	2.8
128.06221	1.0
129.05505	0.7
129.07021	0.9
130.07759	1.6
130.85364	0.4
131.04906	0.5
131.08514	1.1
133.02805	0.7
135.11658	0.4
136.07584	0.5
143.08578	2.2
144.05699	2.6
145.04941	1.0
145.06485	4.7
145.10121	13.3
145.11285	0.7
147.08101	0.5
149.09616	2.6
153.06966	0.4
153.18111	0.4
154.07776	0.5
155.05988	0.6
155.08578	2.9
157.06479	1.2
158.07274	16.0
159.07851	0.7
159.09207	0.5
163.11206	0.5
167.10698	0.5
171.08009	0.7
173.09625	56.8
174.09993	1.4
179.03339	1.1
189.75328	0.5
191.10670	100.0
192.11011	3.7
203.07553	2.4
261.10141	0.7
303.05093	1.0
353.16043	15.6
354.16306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01860	2.0
55.05498	1.6
56.02345	0.4
57.03443	2.2
57.07056	0.5
61.02923	3.5
67.05487	1.1
69.03078	0.8
69.03428	12.9
69.07055	1.1
70.06568	0.5
70.13259	0.8
70.13660	2.0
71.01359	0.6
71.04981	1.6
72.08154	0.6
73.02914	2.1
74.06063	0.4
79.05503	2.7
81.03416	4.2
81.07056	3.1
83.04979	1.5
83.08606	0.7
84.04517	0.5
85.02903	13.0
85.06535	1.5
87.04455	2.0
91.05477	8.2
93.07030	2.0
95.04951	2.1
95.08590	1.9
97.02892	7.8
97.06505	0.8
99.04437	1.5
103.05454	1.9
105.03391	10.4
105.07027	9.2
106.03780	0.6
107.04949	11.8
107.08569	1.8
109.02887	2.5
109.06503	4.3
109.10133	1.2
109.44097	0.4
111.08062	0.6
114.05502	0.7
115.03930	0.5
115.05462	1.5
116.06265	0.5
116.98606	0.5
117.07010	16.6
118.07348	0.6
119.08586	1.9
120.08070	0.5
121.02899	0.8
121.06522	2.2
121.10143	1.9
123.11716	2.0
127.03907	3.3
128.06203	1.9
129.01807	0.5
129.06972	1.5
130.07773	3.5
131.04913	1.8
131.08539	1.7
133.06483	30.8
133.10144	1.0
134.06786	0.9
135.08018	0.7
135.11691	0.9
137.05934	0.6
137.09557	0.5
138.05510	0.4
139.83916	0.4
143.08557	4.3
144.05696	3.7
144.08902	0.9
145.06490	10.3
145.10118	100.0
146.07191	1.0
146.10417	2.4
147.02847	0.7
147.08028	3.0
147.11623	0.7
149.05980	2.0
149.09593	1.3
149.13251	1.1
151.03979	0.5
155.06006	0.6
155.08537	1.7
157.06493	0.9
157.08882	0.8
157.10100	0.6
158.07278	8.3
159.11203	0.6
160.08810	1.2
161.09682	1.0
161.33366	0.5
163.11174	1.6
165.04066	1.2
171.08012	1.1
173.09622	58.4
174.09962	1.6
175.11179	20.5
176.11407	0.7
179.14191	0.6
181.04930	3.9
187.10779	0.7
189.09105	1.0
190.09435	0.7
191.10667	59.2
192.10997	2.0
200.32660	0.5
202.19145	0.5
209.15489	0.6
232.09659	0.6
249.11308	1.3
250.10535	5.2
253.13420	0.5
353.16071	12.8
353.19824	1.4
354.11731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37852	0.4
51.09132	0.5
53.03942	1.2
55.01861	1.2
55.05501	1.0
56.96552	0.7
57.03422	1.3
60.04512	1.3
61.02925	3.7
61.18467	0.4
65.03928	0.5
67.05489	1.2
68.46099	0.4
69.03427	11.0
69.71305	0.8
69.71706	2.3
71.04979	1.4
71.96019	0.5
72.08156	3.3
73.02921	2.7
73.08471	1.2
79.05495	2.3
81.03413	3.4
81.07060	2.5
83.04969	1.4
84.04527	0.4
85.02902	12.1
86.09735	0.5
87.04478	2.1
87.05597	1.1
91.03922	0.7
91.05480	7.7
93.07056	1.1
95.04961	1.7
95.08577	0.5
97.02885	5.5
98.97582	0.8
99.04450	1.5
101.02380	0.7
103.05469	1.2
105.03397	4.2
105.07025	8.8
107.04949	11.3
107.08582	1.3
109.02892	2.6
109.06505	3.2
111.04471	1.1
114.09182	0.8
115.05430	1.4
116.06203	0.7
116.98602	1.0
117.07012	17.3
119.04965	2.2
119.08535	1.0
120.08122	2.0
121.02940	0.5
121.06494	1.6
121.08447	1.1
121.10120	0.5
123.04387	0.8
126.81125	0.5
127.03905	3.7
128.06250	1.0
129.05460	0.6
129.07011	1.4
130.07837	3.2
131.04945	2.3
131.08559	2.2
133.06490	29.6
133.10083	0.9
134.03593	1.1
134.06808	0.6
135.04411	0.8
143.08568	3.6
144.05707	2.7
145.02914	1.1
145.04930	1.0
145.06490	9.5
145.10115	100.0
146.07236	1.6
146.10406	2.8
147.04430	5.6
147.08043	2.7
149.05930	2.5
149.09595	1.2
155.06065	0.7
155.08528	0.8
157.06508	0.9
158.07265	8.7
159.11296	4.2
160.08850	1.0
160.11655	2.2
161.09624	0.6
162.03047	0.6
163.11176	0.8
167.09033	0.6
171.08044	0.5
173.09618	59.9
174.09988	1.5
175.11179	21.8
177.05426	1.8
179.03392	2.5
181.04965	1.1
187.10809	1.9
188.11182	1.2
191.10661	55.7
192.11005	1.6
203.05276	0.6
237.02722	0.5
353.15833	19.9
354.16309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71658	2.4
54.97390	2.4
66.32013	3.0
69.07063	3.7
71.23675	4.8
79.05501	2.9
86.09711	27.1
108.09628	2.4
109.07568	2.5
110.86585	2.4
118.08639	6.1
130.19904	2.3
132.36322	2.7
138.18712	2.4
222.09599	2.9
352.35748	100.0
353.08389	2.7
353.36163	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	353.1385
Annotation	Daldinone D
Peak:m/z	Relative Intensity
51.52446	0.3
52.75402	0.4
53.03936	0.5
55.01853	0.7
65.03919	0.5
66.70454	0.4
67.05488	1.1
69.03409	1.6
70.21603	1.4
74.64620	0.4
78.04709	0.5
79.05501	3.7
81.03378	0.4
81.07038	1.6
83.04977	0.4
85.02889	1.2
90.92947	0.4
91.05486	2.4
93.07021	1.0
95.04942	1.2
95.08606	1.4
97.02925	0.9
97.06498	0.6
97.63098	0.4
98.21518	0.4
102.04675	0.9
103.05466	7.1
105.07037	4.2
107.04961	7.2
107.08600	1.1
109.10120	0.7
111.08097	0.4
115.05433	1.7
117.03374	0.4
117.07025	1.0
118.04159	5.0
119.04912	1.1
119.08588	1.0
121.06471	0.9
121.10134	0.9
123.04431	1.0
123.08052	0.6
124.05202	1.4
125.05986	1.1
127.03957	0.7
128.06209	1.5
129.06999	1.0
130.04161	2.5
131.04924	12.2
131.08551	0.4
132.05667	1.6
133.06488	3.3
133.10118	0.6
137.05974	0.6
139.05406	0.6
141.06943	0.9
145.06462	0.8
145.10036	0.4
146.03558	1.0
147.04402	2.2
147.08055	0.7
148.05203	2.0
149.05919	0.5
151.03851	0.6
152.04677	0.8
156.05724	0.6
158.03587	0.6
159.04408	1.1
159.08061	1.9
159.11729	0.4
160.05125	0.8
161.06003	4.9
162.06691	0.9
163.07544	1.1
165.06952	0.8
167.04831	1.2
167.07047	19.5
168.05713	0.5
171.08055	1.8
173.06024	1.8
173.13348	0.5
174.06763	0.5
175.07535	2.3
176.04688	6.1
177.05453	0.9
178.06190	0.4
178.07718	0.5
179.07013	1.3
179.08569	1.1
179.10666	0.4
181.06494	1.0
181.08604	0.5
184.05229	1.0
185.05962	0.9
189.07004	3.5
189.09000	0.7
190.07776	7.6
191.07028	61.1
192.07498	3.0
193.08591	2.0
193.10068	0.4
194.07208	0.6
199.07552	8.5
200.07864	0.4
201.07016	1.4
202.07791	4.3
203.08572	7.7
204.09305	2.3
205.06476	0.7
205.10150	3.6
206.07187	0.5
207.06358	0.8
207.08047	2.6
209.06142	0.4
209.08081	0.6
213.06898	0.4
214.07816	1.0
215.08563	12.0
216.09206	1.2
217.06516	1.3
218.07271	14.7
219.08022	6.2
220.08864	1.2
221.06065	0.7
221.09821	0.9
223.07579	0.4
229.06474	6.1
230.07166	1.2
231.08052	8.6
232.08849	7.6
233.09605	22.6
234.06648	1.0
234.10184	2.2
235.07526	7.8
236.07964	1.1
242.07233	1.5
243.08078	4.8
244.08791	1.3
245.06010	1.9
245.09392	0.4
246.06775	11.0
247.07510	7.0
247.11243	0.7
248.08153	1.9
249.09131	4.2
250.06364	0.6
250.09860	2.7
251.06966	0.6
257.06012	5.3
258.06735	1.9
259.07510	5.5
260.08325	9.3
261.09100	29.8
262.07007	0.7
262.09769	4.4
263.07043	8.5
263.10361	1.2
264.07434	1.3
265.08569	0.5
265.12213	1.3
271.07587	2.2
272.08194	0.7
273.05429	1.3
273.09076	4.1
274.06235	9.5
274.09219	0.8
275.06989	6.8
275.10565	2.2
276.07648	1.6
277.08585	6.9
278.09378	12.6
279.09998	1.9
288.07794	3.7
289.08588	55.8
290.09256	16.6
291.06476	4.5
291.09979	3.8
292.07233	1.4
292.10941	1.5
293.08301	0.8
293.11707	11.9
295.09579	0.9
303.10202	2.6
305.08231	2.4
306.08850	12.7
307.09589	5.7
321.11206	100.0
322.11685	11.3
323.09338	2.2
323.12683	0.7
325.14316	1.7
333.12903	0.4
338.11371	2.4
353.13831	68.2
354.14133	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	352.1612
Annotation	9-Ribosyl-cis-zeatin
Peak:m/z	Relative Intensity
53.03944	0.5
55.01870	0.7
55.05515	1.3
55.52164	0.6
57.03440	1.2
59.06118	2.6
60.04526	0.7
61.02917	0.8
67.05516	1.6
69.03434	3.7
69.07070	7.1
70.06610	1.0
71.05006	0.9
71.15423	1.0
71.15761	0.6
72.08162	3.1
73.02924	1.5
81.03410	1.9
81.07050	0.9
83.04984	0.7
84.04474	0.6
84.08124	0.8
85.02909	7.8
85.06534	0.7
86.09702	1.5
87.00825	3.2
91.05488	1.4
93.07046	0.7
95.08612	1.6
97.02902	4.1
99.04473	1.0
101.07157	4.6
102.07488	1.6
105.01877	7.1
105.03397	2.5
107.08611	0.6
109.02898	1.5
109.10139	1.3
119.03488	0.6
119.08603	0.6
120.01149	1.2
120.08112	2.1
127.03926	5.4
131.08549	0.7
135.11702	0.6
136.06189	90.7
137.06511	1.6
137.09647	0.8
145.04945	4.5
145.06615	0.6
145.46326	0.6
147.04301	0.7
148.06255	2.6
154.13069	0.8
155.10652	1.3
159.02914	0.7
159.06723	1.0
159.11353	0.8
164.97253	0.5
166.08658	1.3
171.13847	0.7
185.08244	5.4
187.10767	1.0
191.10643	1.0
193.09651	1.6
202.10876	8.9
207.11360	0.7
220.11935	100.0
221.12263	4.0
231.04968	2.1
238.45370	0.5
249.06007	2.4
253.11821	1.2
300.70193	0.5
325.24887	0.6
344.79581	0.5
352.16129	12.8
353.06406	0.9
353.16315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31788	2.0
53.03947	5.1
53.22675	2.1
55.01864	11.5
55.05512	6.8
56.96556	3.0
57.03428	8.0
60.04528	3.8
61.02922	7.7
67.05496	5.7
68.99796	4.0
69.03435	38.2
69.07071	89.7
70.06586	4.8
71.04979	7.6
71.16816	4.0
71.17162	4.0
72.08151	22.1
73.02920	6.6
79.05495	6.6
81.03423	22.8
81.07070	13.3
82.22209	2.6
83.04983	5.4
84.08149	8.3
85.02910	91.4
85.06555	3.1
86.09702	11.6
87.00829	35.9
87.05598	5.3
88.03983	4.6
91.05480	13.8
93.07055	8.5
93.81313	2.2
95.04969	3.4
95.08611	5.6
97.02891	57.9
97.06545	6.5
99.04448	12.5
102.05539	6.3
105.01866	100.0
105.03384	3.0
105.07035	9.0
107.04956	4.4
107.08604	9.2
108.04495	3.2
109.02880	23.7
109.06454	3.3
109.10162	4.3
110.73000	1.9
111.04476	3.0
111.08093	7.3
114.09174	6.9
115.03936	3.9
116.98589	3.0
117.07011	3.4
119.04956	7.4
119.08579	4.7
120.08112	9.7
121.10170	6.1
123.04411	3.0
123.08042	3.1
125.06054	2.0
127.03923	96.9
128.04272	2.2
128.06239	5.3
129.05588	2.6
129.06561	3.8
129.10246	6.9
131.08557	7.9
133.06425	2.3
133.10139	5.6
135.04373	2.2
135.08035	4.4
136.06235	3.0
136.07510	2.8
137.05994	3.5
137.09525	2.5
143.08542	4.1
144.08897	4.3
145.02878	3.0
145.04958	64.9
145.06238	3.7
145.06554	3.2
145.10138	6.8
146.17830	2.4
147.04427	18.8
148.04842	2.3
148.06070	3.5
149.09599	6.0
150.37968	2.3
151.03932	2.1
153.09096	5.4
159.02869	12.2
159.11302	22.8
161.09601	4.4
163.03951	4.4
166.08629	5.4
173.09619	2.4
177.05486	13.1
177.09071	5.5
178.04918	2.3
179.03412	4.2
185.75685	2.2
187.10835	8.7
189.04045	2.8
189.09143	17.6
190.09451	32.0
191.10709	41.2
195.10175	11.4
195.13779	3.1
213.03920	3.1
213.14847	3.8
217.04927	13.1
231.05009	32.1
249.06018	16.8
265.08350	2.6
299.11417	3.1
317.14026	3.8
334.16895	7.6
352.14670	8.4
352.21884	2.8
353.15759	65.2
353.19617	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
53.36414	1.7
55.01862	2.5
55.05513	13.0
55.54539	1.7
57.03433	4.9
57.07068	2.6
65.03922	2.5
67.05509	37.9
69.03411	4.8
69.07066	12.0
69.43399	4.9
69.43821	10.3
71.04973	4.4
79.05068	2.9
79.05499	51.2
81.03417	10.8
81.07059	42.1
83.04960	2.9
83.08617	7.2
85.06525	3.8
91.05486	56.7
93.06477	3.7
93.07051	65.7
94.07413	1.9
95.04959	6.6
95.08607	30.1
95.97292	1.6
97.02876	4.2
97.06532	3.5
97.10169	2.9
99.04454	5.0
99.08083	4.4
103.05470	1.9
105.07034	63.5
107.08597	42.1
107.39774	1.6
109.02886	9.4
109.06526	5.9
109.10146	13.3
117.07011	12.1
119.08586	64.8
121.06458	2.0
121.10152	36.1
123.08061	4.3
123.11688	4.4
127.03912	39.9
128.06198	1.7
129.06992	10.3
131.08565	16.7
133.10133	56.5
134.10457	2.2
135.08113	2.0
135.11699	34.4
137.09570	3.2
143.08586	12.7
145.04961	7.2
145.10114	19.2
147.08060	7.0
147.11697	43.6
149.09637	2.2
149.13255	21.8
151.11174	2.7
157.10126	7.2
159.11696	19.3
161.09631	8.0
161.13261	37.0
163.11180	2.8
163.14781	6.4
165.09119	6.9
167.80740	1.6
171.11710	15.5
173.13260	10.2
175.11156	2.4
175.14838	16.9
177.12766	2.8
177.16385	1.8
179.10672	5.8
185.13271	9.9
187.14870	1.9
189.09085	5.3
191.14313	2.3
199.14871	9.1
203.14337	1.9
207.10159	10.2
213.16396	2.3
215.17906	2.7
216.08424	2.0
217.19475	2.7
223.86375	1.9
225.11176	12.1
231.17490	2.0
231.21057	9.2
241.19534	36.3
259.20590	100.0
260.20865	5.4
277.21573	3.7
333.24423	2.6
351.14685	2.9
351.18713	4.4
351.25308	74.3
352.25650	2.8
360.12561	1.7
363.12680	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
53.70072	1.4
55.01867	4.6
55.05511	14.9
56.08471	1.3
56.77907	1.4
56.96537	1.7
57.03427	5.7
57.07070	3.5
65.03925	2.8
65.49280	1.4
67.05504	39.1
68.05814	2.5
69.03434	4.8
69.07072	15.0
70.91074	3.0
70.91414	1.5
71.04995	6.6
71.08656	3.2
74.74284	1.2
79.05494	63.8
79.05960	3.4
81.03436	7.9
81.06577	2.8
81.07056	51.1
83.04981	4.3
83.08614	8.1
83.38493	1.4
85.02891	1.9
85.06546	5.1
91.05482	62.0
93.07044	75.1
94.07343	1.9
95.04968	8.5
95.08038	2.7
95.08608	30.8
97.02920	3.1
97.06516	4.7
97.10175	3.5
99.04439	7.3
99.08110	5.4
103.05511	1.9
105.07034	69.3
106.07394	1.6
107.08598	49.0
109.02889	11.1
109.06513	5.0
109.10157	13.7
111.08082	2.8
113.09636	2.6
115.05434	1.9
117.07005	15.3
119.08579	66.2
120.08916	2.4
121.06561	2.3
121.10141	37.8
121.11012	2.0
123.08078	4.8
123.11726	4.1
125.09621	2.5
127.03918	31.3
128.04234	1.4
128.06195	3.1
129.07014	9.8
131.08574	22.6
133.10139	61.3
135.08017	3.0
135.11694	33.1
137.09587	3.3
143.08560	14.6
145.04976	5.6
145.10104	21.2
147.08046	4.7
147.11688	47.5
149.09576	2.7
149.13258	22.3
151.11230	2.5
155.08591	1.9
157.10147	11.7
159.11685	21.0
161.09659	9.5
161.13254	39.6
163.11203	5.2
163.14844	6.8
165.09128	5.7
169.10216	1.8
171.11684	14.8
173.13271	13.3
175.11168	3.4
175.14806	21.8
177.12762	2.6
177.16455	2.0
179.10709	4.0
179.14279	1.5
185.13268	12.8
187.14783	3.5
189.09100	4.5
189.12785	4.1
191.14381	2.0
199.14738	9.4
201.16411	2.5
207.10141	8.7
213.16356	3.8
215.18108	2.0
217.19501	3.4
225.11147	8.1
231.21028	10.8
231.22910	1.3
241.19524	32.9
250.38495	1.5
259.20575	100.0
260.21002	4.3
277.08829	1.6
277.21625	4.3
319.09753	1.6
333.24252	3.5
351.12668	1.8
351.21634	4.9
351.25354	80.9
352.13068	3.8
352.25601	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.6
55.01844	3.1
55.05506	19.4
57.03427	10.2
57.07063	2.9
66.92725	2.3
67.05505	45.0
69.03439	13.8
69.07064	17.2
71.04984	8.9
71.60088	3.7
75.04488	3.5
79.05493	59.9
81.03413	13.4
81.07057	63.3
83.04972	7.2
83.08616	8.3
85.02925	4.7
85.06551	8.1
91.04961	4.5
91.05482	51.4
93.07047	91.5
94.07331	2.7
95.04966	10.1
95.08612	41.4
96.05321	2.2
97.02897	9.4
97.06544	5.8
98.97598	3.9
99.04469	10.7
99.08087	3.3
102.11067	2.5
105.07030	65.8
107.08594	55.9
107.71767	2.6
109.02869	9.9
109.06531	9.1
109.10136	22.5
111.08089	4.7
116.98627	2.3
117.07018	12.0
119.08585	73.0
121.10123	42.7
123.08081	8.2
123.11707	5.6
125.09635	4.2
127.03918	35.1
128.06224	2.8
129.07004	9.8
131.08554	22.1
133.06471	2.7
133.10135	65.1
135.08012	3.5
135.11690	48.9
137.06007	25.3
137.09627	7.2
143.08563	8.9
145.04976	10.4
145.10159	20.9
147.08081	9.6
147.11693	42.3
149.09537	2.9
149.13266	28.2
151.11211	4.7
157.10114	12.1
159.11708	22.6
161.09654	11.1
161.13261	34.9
163.11249	6.1
163.14870	8.9
165.09137	10.7
171.11731	15.8
173.13264	13.0
175.11217	4.6
175.14842	21.4
177.05533	3.9
177.12778	2.8
179.10672	8.7
185.13364	13.0
187.14810	3.7
189.09132	6.8
189.12830	3.8
199.14793	11.8
203.14319	3.1
207.10114	13.2
213.16414	6.1
213.22261	2.6
217.15944	3.8
217.19463	5.9
225.11220	13.8
231.17430	3.4
231.21092	8.7
241.19498	28.5
259.20575	100.0
275.06976	2.9
277.18658	3.2
277.21570	14.1
295.19138	2.5
333.20624	4.5
333.24347	11.1
351.11920	4.8
351.21381	21.9
351.25320	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55344	1.1
53.03934	3.5
55.01860	1.8
55.05267	1.4
55.05511	16.4
57.03445	9.5
57.07063	4.0
65.03923	2.6
67.05504	41.9
69.03428	2.6
69.07069	15.0
70.85577	1.6
70.85922	2.7
71.04988	4.1
73.03010	1.2
79.05492	63.3
81.03407	3.9
81.07057	49.2
83.04976	2.9
83.08640	8.0
85.06531	4.2
91.05477	47.9
93.07042	86.8
95.04963	5.8
95.08609	36.2
97.06538	3.3
97.10143	5.2
99.04444	2.2
99.08070	4.1
105.07031	52.6
107.07861	2.8
107.08594	55.6
108.08960	1.5
109.06535	3.1
109.10136	14.5
111.08088	2.7
113.09618	1.5
117.06998	12.8
119.08585	48.1
121.10153	40.9
123.08074	3.5
123.11697	4.6
125.09631	2.0
127.03906	5.5
129.05498	1.4
129.07007	6.8
131.08568	18.2
133.10132	46.8
135.08089	1.5
135.10684	2.9
135.11699	47.0
137.06001	3.4
137.09673	1.6
143.08543	9.2
145.10135	19.4
147.11687	40.8
148.11992	2.3
149.13266	26.6
151.11111	1.7
157.10121	10.9
159.11699	18.8
161.09636	2.8
161.13264	38.3
161.14604	1.9
163.11179	3.1
163.14832	8.6
165.09082	2.2
171.11684	15.0
173.13266	9.5
175.11160	2.3
175.14847	20.6
176.26724	1.3
177.12746	4.8
179.10649	1.7
185.13289	13.5
187.14777	3.5
189.12781	2.9
199.14848	8.9
203.14374	1.8
213.16414	4.2
215.17981	1.9
217.19499	4.7
221.15407	2.6
225.11275	2.8
231.17426	4.2
231.21011	9.3
241.19514	38.3
242.19954	3.0
259.20578	98.7
260.20868	3.6
277.18594	2.5
277.21552	14.8
333.24176	9.2
351.25302	100.0
352.25757	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.3
53.03939	4.4
55.01864	3.3
55.05513	16.6
57.03173	1.6
57.03429	8.4
57.07063	3.4
59.04978	1.7
63.00641	1.4
63.52166	1.4
65.03931	1.7
67.05505	41.7
67.05865	2.2
69.03453	1.9
69.07063	13.4
70.68116	5.0
71.04993	4.0
79.05495	56.4
80.24322	1.6
81.03443	3.6
81.07063	50.1
82.07388	2.0
83.04974	4.7
83.08622	6.4
85.06556	3.6
91.05482	38.5
91.96159	1.4
93.07047	79.3
94.07368	1.8
95.04941	7.3
95.08611	37.2
97.06512	2.3
97.10174	2.3
99.04429	1.7
99.08085	3.9
101.45829	1.4
105.07033	49.6
107.08594	44.0
109.06535	3.0
109.10157	15.4
111.08105	1.6
113.09654	2.6
117.07020	11.3
119.08586	50.0
121.10148	35.8
123.08032	3.9
123.11710	4.3
125.09632	1.9
127.03906	9.5
129.07007	6.9
131.08575	14.2
133.06541	1.7
133.10141	41.2
134.10466	1.7
134.99675	1.5
135.08069	2.0
135.11699	37.6
137.07381	1.4
137.09717	2.1
139.07516	1.6
139.11160	1.8
142.07729	1.5
143.08531	8.7
145.10115	19.1
147.08119	2.7
147.11691	39.3
147.12782	2.6
149.09589	2.3
149.13277	24.9
151.11166	2.3
157.10138	8.5
159.11696	15.3
161.09636	3.4
161.13254	33.7
161.14578	2.1
163.11174	4.6
163.14871	9.5
165.09169	2.4
171.11668	14.5
173.13283	9.3
175.11301	1.8
175.14822	16.7
177.12782	2.8
179.14314	3.8
182.31512	1.7
185.13260	11.3
187.14853	4.9
189.12764	2.3
199.14850	7.5
203.14331	3.3
207.10104	3.5
208.81641	1.6
213.16411	3.9
217.15901	1.6
217.19421	3.4
221.15483	1.6
225.11327	2.5
231.17499	2.7
231.21083	8.9
241.19514	35.0
259.20584	87.5
260.20947	3.4
277.21646	17.9
316.19946	2.1
325.92380	1.4
333.20682	2.4
333.24185	10.1
351.25333	100.0
352.25613	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01864	2.8
55.05510	17.7
57.03434	5.5
57.07064	4.3
65.03937	1.8
67.05504	44.6
69.03417	3.0
69.07066	16.3
69.95521	3.7
69.95932	8.4
71.04993	3.9
79.05492	59.4
81.03429	3.2
81.07057	50.6
83.04987	6.2
83.08620	7.5
85.06548	4.8
91.04890	2.6
91.05480	56.8
93.07043	84.1
95.04971	9.4
95.08041	3.9
95.08607	39.5
97.02894	3.3
97.06525	4.1
97.10176	3.5
98.21381	3.6
99.04458	3.2
99.08131	3.7
105.07026	64.8
107.08598	50.8
107.09294	4.0
107.40507	1.8
109.02897	2.1
109.06540	4.5
109.10154	17.3
110.10419	2.1
111.08080	2.9
113.09646	2.0
114.49977	1.7
117.06985	15.7
119.08584	61.6
121.06535	2.0
121.10144	36.9
123.08086	3.6
123.11684	6.1
125.09615	2.0
127.03931	12.7
129.07028	8.0
131.08562	22.9
133.10129	54.7
135.08046	3.4
135.11691	35.1
136.12056	2.7
137.09607	4.0
143.08540	11.5
145.06549	2.1
145.10115	19.6
147.08046	3.2
147.10513	2.9
147.11687	53.7
149.09642	4.4
149.13249	24.9
151.11150	3.1
157.10072	9.8
159.11693	19.3
161.09677	5.4
161.13245	35.5
162.09923	1.8
162.13713	2.1
163.11227	4.3
163.14844	6.1
165.09048	3.3
171.11673	13.1
173.13275	15.7
175.14836	16.1
177.12740	2.4
183.11758	3.0
185.13264	15.0
187.14842	5.8
189.09052	2.3
189.12808	3.0
189.16460	2.0
191.14426	2.0
195.11708	2.2
199.14864	5.7
203.14314	3.4
207.10249	2.8
208.81844	1.8
213.16432	5.2
225.11224	3.6
231.17503	3.5
231.21158	9.8
231.23207	2.0
241.19511	34.4
242.19814	2.5
259.20578	100.0
260.20987	4.2
261.22174	1.9
277.21652	4.6
333.24207	4.2
334.22467	2.2
351.25409	88.9
352.25800	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36342	2.4
55.05511	21.3
56.88988	2.3
57.03421	9.4
57.07061	3.3
65.03923	2.9
67.05503	46.2
69.07078	17.0
70.37290	8.1
71.04971	2.7
73.35825	2.8
75.04485	2.9
77.82890	2.6
79.05494	56.3
79.79540	2.4
81.07055	48.7
83.04973	2.6
83.08624	7.5
85.06535	4.0
91.04631	2.4
91.05479	52.3
93.07043	81.3
94.47850	2.6
95.04979	11.3
95.08039	4.1
95.08604	37.6
97.06517	3.4
97.10223	2.5
99.08102	4.6
103.05605	2.5
105.07031	53.5
107.07875	3.0
107.08595	54.9
109.10161	16.1
111.08105	3.7
117.07017	10.8
119.08579	46.8
121.10149	40.3
123.11693	3.1
129.07011	6.9
131.08548	20.2
133.10120	45.8
133.11072	3.6
135.11700	41.1
137.09583	5.5
143.08560	10.3
145.10130	20.3
147.11696	44.5
149.09644	4.4
149.13246	25.7
151.11177	2.8
157.10181	8.1
159.11688	22.7
161.13243	28.7
163.11227	4.7
163.14809	7.7
171.11719	10.2
173.13326	8.7
175.14827	14.4
185.13303	8.6
189.12798	3.1
195.13936	2.5
199.14803	5.2
203.14111	2.6
213.16454	4.3
231.21085	4.8
241.19499	32.0
259.20584	100.0
260.20993	4.3
269.23026	3.3
277.21600	19.3
333.24298	10.1
351.25320	90.3
352.25565	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.9
55.05513	29.8
56.34167	3.9
56.96553	5.9
56.96817	3.6
57.03439	9.3
67.05503	60.0
69.07062	23.2
69.61199	3.6
70.93811	8.4
70.94161	5.9
71.05001	4.5
71.08635	5.4
79.05493	71.8
81.03391	4.4
81.07062	69.9
83.04972	8.3
83.08601	10.3
85.06535	8.2
91.04956	6.6
91.05485	60.2
93.07044	100.0
95.04954	14.1
95.08611	64.1
97.06544	10.5
97.10197	6.5
99.08087	8.8
103.05486	3.6
105.07012	59.7
107.08606	69.9
109.06535	7.3
109.10157	27.1
113.09624	4.9
117.07030	8.3
119.08575	59.2
121.10146	60.9
123.08051	13.4
123.11704	6.2
125.09631	7.0
127.03901	5.4
129.07019	7.5
131.08571	26.4
131.37057	3.9
133.10136	60.0
135.08093	5.2
135.11676	45.2
137.09615	5.9
143.08545	12.5
145.10143	30.1
147.04427	6.9
147.11717	42.8
149.09555	4.6
149.13231	34.5
151.11237	5.0
157.10115	6.1
159.11694	17.3
161.13281	29.4
163.11177	8.0
163.14827	16.0
171.11708	14.7
173.09789	3.8
173.13297	11.8
175.14798	15.4
177.16505	9.7
179.14264	12.9
185.13222	11.2
187.14844	11.2
189.16365	7.2
199.14891	5.9
203.14406	4.7
205.15833	6.0
213.16278	6.5
231.17503	4.9
231.21024	7.5
241.19516	30.6
259.20581	84.3
259.23300	4.3
260.20709	4.6
277.21649	13.5
333.20560	5.8
333.24246	10.5
351.25497	84.1
364.84579	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.1
55.01872	4.9
55.05511	24.8
57.03442	16.5
57.07066	6.4
64.39230	1.6
65.03947	1.8
67.05508	71.4
69.03431	4.3
69.07068	23.6
71.04991	5.6
71.08634	46.4
71.19228	4.3
77.03941	2.7
79.05497	63.3
81.03416	7.9
81.06577	4.0
81.07059	78.3
82.07393	2.8
83.04989	16.0
83.08628	11.3
85.02901	3.2
85.06537	5.6
90.68340	2.2
91.05482	56.7
92.05822	1.9
93.07048	100.0
94.07430	2.1
95.04974	16.3
95.08609	65.3
97.02888	3.2
97.06534	12.8
97.10165	7.2
99.08096	28.3
105.07034	57.8
106.07351	2.9
107.04975	10.2
107.08601	78.9
109.06524	9.9
109.10159	34.8
109.55385	1.8
111.04444	18.0
111.08076	4.7
113.09669	3.1
115.05495	3.5
117.07039	16.8
119.08585	55.6
120.08926	1.7
121.06480	6.4
121.10151	53.6
123.08073	8.4
123.11700	9.5
125.06010	4.8
125.09628	5.1
127.11225	2.1
128.06221	2.1
129.06998	8.0
131.08569	24.3
133.06471	5.3
133.10133	51.0
134.10507	2.1
135.08078	14.4
135.11694	42.0
136.12018	2.1
137.05923	2.2
137.09645	4.7
137.13232	2.1
139.07562	7.0
139.11168	1.7
141.07005	2.4
141.09068	4.7
142.07809	3.2
143.08554	12.3
144.09248	1.7
145.10143	28.7
147.08035	5.7
147.11691	23.3
149.09622	10.2
149.13257	13.3
151.07552	2.7
151.11163	15.8
153.09113	6.2
153.12779	2.1
155.08597	5.0
157.10126	16.8
158.10951	2.0
159.08076	2.9
159.11691	24.3
161.09642	7.9
161.13246	18.9
163.11177	11.9
163.14861	6.2
165.09163	4.1
167.10695	6.1
169.10162	7.5
170.10928	3.0
171.08046	2.1
171.11693	18.8
173.09604	4.6
173.13260	12.7
175.11205	6.4
175.14857	5.7
177.12755	5.7
177.16428	2.7
177.77739	1.8
179.10709	7.7
179.14320	91.7
180.14688	4.2
181.10132	5.8
181.12230	2.5
183.11690	6.1
185.09650	5.6
185.13235	13.3
187.11182	5.1
187.14841	7.7
189.09059	2.3
189.12733	4.3
189.16457	6.9
191.10719	3.1
193.12268	2.9
195.11734	6.8
195.13670	2.6
197.13315	4.5
199.11214	7.0
199.14839	11.5
201.09084	2.3
201.12724	3.9
203.10593	4.2
205.12253	5.1
205.15849	2.1
207.11789	2.6
207.13744	3.0
208.12798	1.7
209.13283	4.7
211.14786	3.1
213.12767	7.6
213.16446	3.9
215.14316	1.8
217.12213	4.8
217.15842	3.6
221.15421	3.5
225.16441	5.6
227.14320	4.1
227.17990	5.1
228.53793	2.0
231.13828	4.5
233.15398	2.7
235.16982	3.0
235.60097	1.8
237.12877	2.5
237.16385	3.8
241.12210	2.8
241.15918	3.1
241.19489	11.3
245.15353	2.9
251.17921	4.8
253.15952	2.8
255.13803	2.7
255.17403	2.3
259.20508	11.0
269.18997	10.5
271.16956	9.8
273.18579	3.0
277.21637	42.4
279.17505	4.2
285.18579	6.7
287.20059	17.2
292.22650	2.0
297.18500	28.3
299.68976	1.9
303.19516	2.4
310.23575	2.2
315.19574	43.2
316.20053	4.3
333.20599	65.6
334.21051	6.9
351.21179	4.1
351.25342	64.6
352.25375	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06882	1.4
53.03934	4.6
55.01858	2.7
55.05510	27.4
57.03436	44.5
57.07062	6.0
65.03936	2.6
67.05503	64.9
69.07067	22.8
70.64326	6.2
71.04971	4.3
75.04449	1.7
79.05494	62.5
81.07057	83.3
83.04974	5.3
83.08613	21.7
85.06555	8.6
91.04896	1.8
91.05479	52.5
93.07043	86.1
95.04966	9.0
95.08604	57.1
97.06521	3.9
97.10160	6.2
99.08096	4.9
105.04548	1.6
105.07033	51.0
107.08592	54.3
108.08956	2.5
109.06488	7.3
109.10155	26.2
111.08097	4.8
117.07027	12.5
119.08579	45.2
120.08964	1.5
121.06528	3.0
121.10142	46.8
123.08063	3.3
123.11712	14.1
125.09620	4.4
128.06262	2.0
129.07014	7.9
131.08583	18.2
133.10133	42.0
135.08073	1.8
135.11690	37.2
137.05962	4.4
137.09662	3.5
139.11162	2.2
143.08577	8.0
145.10123	17.5
147.11688	38.2
149.09572	2.6
149.13245	24.4
151.11180	3.7
155.08534	4.7
157.06560	2.9
157.10098	6.6
159.11707	16.0
161.13257	26.9
162.20210	1.8
163.11214	3.6
163.14847	6.9
165.12737	3.6
171.08112	1.7
171.11719	9.0
173.11877	2.8
173.13239	11.0
175.07629	1.9
175.11200	2.5
175.14833	9.5
177.05515	2.3
177.09087	3.3
177.12750	4.3
181.76060	1.5
183.08025	8.0
185.13283	7.5
187.14809	11.9
189.09143	9.0
189.12798	2.1
191.10611	2.1
199.14830	5.4
201.09091	5.0
203.10678	4.2
203.14336	2.5
203.17870	2.1
204.11279	1.8
205.15883	5.6
213.16408	3.6
215.10695	13.1
221.19006	3.7
229.12289	1.7
231.21086	3.5
235.11095	2.1
239.10692	2.0
241.19524	19.9
259.20566	54.8
260.20816	2.4
261.21982	1.8
263.14297	2.3
265.12177	2.6
267.13672	2.4
277.21613	27.8
278.22107	1.9
279.13852	2.4
293.15347	2.3
295.16788	7.9
333.24252	7.6
351.25156	100.0
352.25378	6.0
360.89902	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2317
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
55.05497	11.3
57.07051	4.7
59.07745	2.6
67.05500	20.0
69.07074	18.0
71.04984	5.6
73.78676	3.3
79.05488	13.4
81.07066	28.7
83.08610	5.6
91.05486	25.1
93.07039	33.7
94.04026	3.1
95.04983	8.7
95.08605	44.5
97.06512	6.2
99.04433	3.8
100.80717	3.1
103.05546	3.1
105.07021	47.2
107.04939	4.5
107.08591	41.6
108.08893	3.2
109.06461	5.5
109.10159	28.9
111.04417	3.0
111.08065	9.5
117.07011	14.0
119.08595	55.7
121.06495	4.7
121.10145	56.8
123.08086	6.0
123.11694	10.8
128.06218	5.7
129.07016	10.4
131.08562	30.9
133.10130	34.8
135.08066	3.6
135.11690	19.2
137.05939	18.0
137.09593	3.1
141.07016	7.3
142.07802	11.1
143.08575	23.1
144.09322	4.9
145.06477	3.2
145.10133	45.7
147.04431	3.2
147.08075	5.1
147.11679	16.5
153.06979	3.0
154.07774	4.0
155.08533	8.9
156.09366	8.4
157.10146	33.4
158.10851	5.8
159.07974	6.2
159.11670	30.2
161.09653	3.4
161.13239	9.1
165.06938	3.3
167.08554	6.3
168.09314	4.6
169.10109	15.6
170.10806	4.2
171.08128	3.4
171.11685	20.9
172.08870	4.3
172.51712	4.0
173.09628	3.9
173.13248	15.4
175.11279	4.2
175.14818	11.9
181.10078	7.4
183.08049	3.2
183.11671	23.0
185.13229	13.5
187.11145	6.3
187.14793	25.3
189.12781	3.6
193.10199	5.1
195.11693	11.5
196.08827	4.0
196.12468	5.4
197.13197	18.3
199.14848	10.8
200.15421	3.3
201.09055	4.3
201.12759	4.8
207.11667	6.1
208.12466	4.1
209.13243	18.6
210.13870	3.9
211.11197	9.6
211.14807	10.3
213.12715	4.7
217.12271	3.2
221.13219	6.9
223.14822	8.8
225.12679	4.3
225.16391	8.2
229.12173	13.9
235.14833	9.1
237.16341	11.4
239.14487	4.1
239.18019	6.2
243.13805	4.6
253.19373	4.8
263.14233	3.3
265.19498	7.7
275.17767	3.4
277.15732	4.6
277.21597	4.0
283.16870	3.2
295.16855	7.4
305.22635	5.1
309.18256	4.1
323.23672	6.1
325.67264	3.1
333.22137	12.8
351.23148	100.0
352.23441	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	351.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01853	1.7
55.05511	13.7
56.96547	3.0
57.03431	2.3
61.02919	4.5
67.05499	17.4
69.03417	10.2
69.07075	12.6
69.32414	4.2
69.32819	18.2
70.06580	3.4
71.04994	4.1
72.08147	2.5
73.02910	1.8
78.82654	2.0
79.05487	25.9
80.05812	5.9
81.03419	6.9
81.07056	17.5
83.04980	4.6
83.08610	7.5
85.02898	31.6
85.06506	2.9
86.03220	7.7
86.09703	12.5
87.10029	5.2
91.05478	22.9
93.06472	3.3
93.07038	50.2
94.07383	14.8
94.84180	1.8
95.04951	9.2
95.08600	32.7
97.02888	11.0
97.06516	5.9
98.03227	2.7
98.21523	3.6
98.97578	13.6
99.08089	100.0
100.11211	2.1
103.05473	3.5
104.76193	2.2
105.07024	31.4
107.04922	2.1
107.08585	48.3
108.05720	2.9
108.08923	11.7
109.02872	4.8
109.06511	3.7
109.10156	27.8
110.10458	4.2
111.04429	6.0
111.08075	3.2
116.98618	7.9
117.03367	4.8
117.06984	2.7
119.04964	4.3
119.08578	18.2
120.08105	6.3
121.06504	4.8
121.08405	3.3
121.10143	21.7
123.04423	2.0
123.08058	73.2
123.11687	3.5
125.05990	3.3
127.03917	10.3
128.04242	1.8
131.08578	5.3
133.06505	4.5
133.10146	16.3
134.99609	2.6
135.08046	5.0
135.11684	55.9
136.12019	56.7
137.13264	2.4
139.03886	2.1
139.07550	2.4
141.09091	7.1
142.07808	2.3
145.02821	10.6
145.04927	8.9
145.10083	6.4
146.05254	4.3
147.04431	19.4
147.08012	4.9
147.11690	17.2
149.05920	2.1
149.09644	5.7
149.13248	5.2
151.07504	3.1
151.11153	4.3
153.12714	6.0
154.13037	6.5
157.10083	3.5
157.13342	2.5
158.99640	6.2
159.11720	3.3
161.09613	2.3
163.03897	2.4
163.05934	3.2
163.11220	2.2
165.09064	4.4
165.12685	4.7
175.11223	5.2
175.14813	2.7
177.00679	6.0
177.05431	18.9
178.05835	3.4
179.07043	2.3
181.12170	4.5
181.32433	2.0
185.13300	2.5
187.11191	2.3
187.14761	3.0
189.09056	1.9
189.77348	2.2
191.14351	2.3
193.12254	24.2
195.07910	2.7
199.11017	2.5
211.13304	20.1
219.01836	2.9
237.02792	4.8
248.13951	4.6
251.09659	2.2
267.09790	4.6
269.10727	2.5
276.10400	2.2
297.18442	2.3
333.13562	2.1
333.20621	5.0
351.21729	3.8
352.16321	4.9
371.13791	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	351.2168
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
51.88330	3.0
53.03942	6.7
55.01858	6.4
55.05513	9.3
56.96574	16.0
57.03430	3.2
59.05009	3.3
62.53837	3.2
65.03952	6.6
67.05513	14.7
69.03436	25.6
69.07069	10.5
69.51929	27.7
71.04996	8.4
79.05504	12.0
81.03419	22.8
81.07070	22.4
83.04989	3.7
83.08627	7.4
84.96036	4.0
85.02910	4.3
87.92517	2.9
89.06098	3.0
91.05502	23.8
93.07053	28.4
93.63268	3.6
95.04961	10.4
95.08616	24.6
96.08971	3.4
97.02899	12.3
98.03691	5.0
98.97589	8.6
99.04457	12.1
99.08133	4.7
105.07034	33.2
107.08609	36.3
109.02879	30.1
109.06538	11.2
109.10167	20.9
111.04455	11.6
111.08111	10.8
113.06017	7.6
116.98640	5.7
117.07023	4.9
119.08590	43.3
120.08934	4.7
121.06493	5.3
121.10139	39.5
123.04470	4.9
123.08083	15.2
123.11720	7.3
123.51498	3.5
125.09634	30.7
126.09981	6.6
127.03922	100.0
131.08604	9.2
133.10138	34.3
134.10500	4.7
135.08087	7.5
135.11726	13.0
137.09605	4.1
139.03912	5.5
139.07593	3.4
140.04308	3.4
143.08575	8.5
145.04970	12.6
145.10150	17.1
147.08046	11.3
147.11734	7.3
149.09654	17.5
151.03897	16.2
151.07561	36.2
157.10161	6.5
159.07976	3.5
159.11752	6.7
161.09645	20.0
163.11212	33.4
165.09120	18.9
167.07089	11.8
173.09666	7.4
173.13309	5.2
173.37439	2.8
176.12524	3.1
178.78287	3.8
179.10687	15.9
183.11761	3.8
187.07455	3.2
189.09155	11.9
191.10687	45.2
199.14851	3.4
203.54668	3.2
207.10115	23.2
209.11757	9.4
221.07149	3.6
225.11238	23.6
227.12796	13.5
231.08060	6.5
243.01740	7.2
247.07579	7.7
248.08296	3.7
258.06754	4.5
259.07690	6.5
260.08194	4.4
261.02917	9.0
265.53745	3.0
269.18903	3.3
273.18222	3.6
275.07028	6.6
276.07916	6.1
277.08908	4.4
279.17392	4.3
281.07028	6.9
288.57983	9.4
289.08383	6.2
290.09412	10.1
291.10202	11.5
293.08197	5.6
297.18555	7.9
299.08136	7.8
305.07965	4.3
315.19336	19.5
319.09653	15.3
321.07254	4.4
323.08591	3.3
331.19751	3.6
333.20523	36.7
336.10037	4.7
342.12268	18.6
342.62427	8.9
351.08160	3.6
351.12317	59.8
351.20837	24.0
352.12695	9.1
362.63489	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17760	4.6
52.23176	5.1
53.03947	8.0
55.01879	6.9
55.05512	6.1
56.60942	4.7
56.96567	5.6
63.55865	5.3
66.54185	6.5
67.05506	24.9
69.03439	26.3
69.07070	11.8
69.64238	32.9
69.64653	13.1
70.06590	6.0
76.35997	5.3
79.05492	20.7
81.03399	11.2
81.07072	25.8
83.08620	5.6
85.06569	8.0
88.05335	5.4
91.05474	25.9
93.07049	30.8
95.04982	17.1
95.08614	32.5
97.02895	10.7
97.06532	17.7
98.97610	8.7
99.08100	12.6
105.07059	33.7
107.04978	6.6
107.08596	43.0
109.06528	13.2
109.10171	18.4
111.04451	11.0
111.08085	9.5
113.05980	5.8
117.07071	6.4
119.08591	38.4
121.06490	6.2
121.10133	62.0
123.04411	9.0
123.08087	21.6
124.08855	12.7
125.09638	78.7
127.03923	21.3
131.04942	6.3
131.08601	11.9
133.06493	5.5
133.10133	29.3
135.08034	9.4
135.11703	25.5
137.09642	8.0
143.08565	9.1
145.02896	7.0
145.06465	7.3
145.10139	36.5
147.04425	9.9
147.07994	11.3
147.11694	17.2
149.06029	6.4
149.09608	22.9
151.07544	50.9
151.11150	6.4
156.09474	6.1
157.10075	9.9
158.99725	6.7
159.08086	5.9
159.11702	16.1
161.09631	13.4
163.03931	9.8
163.11174	53.4
165.09160	12.2
165.12846	6.5
167.07051	7.5
171.11656	11.8
173.09666	11.8
173.13226	13.0
175.11166	8.0
177.00807	6.0
177.05537	9.9
178.09453	4.9
179.10678	8.6
185.09608	6.3
189.09222	9.7
191.10674	64.1
203.10803	7.2
207.10161	8.2
209.11731	40.9
218.07323	6.8
219.08119	14.7
220.08701	6.2
221.11711	6.6
225.11151	7.4
227.12766	21.8
230.07243	8.3
231.08142	12.9
237.09100	6.2
247.07605	16.9
248.08206	12.0
259.07489	12.5
261.05457	6.8
261.09180	8.9
263.10727	8.7
269.18906	7.7
271.16815	8.1
273.08984	14.2
273.18253	7.3
275.07199	9.7
276.07861	30.8
277.08353	11.1
287.19931	8.0
289.08511	6.8
290.09402	11.0
291.10202	26.9
297.18549	15.0
301.08563	7.9
304.07196	11.7
305.08029	9.9
305.21225	5.3
306.09448	5.2
311.11237	8.1
315.19479	26.0
318.08923	7.9
319.09668	86.5
320.10263	25.7
321.11014	7.0
323.12750	9.1
333.20621	71.9
336.09958	11.7
351.12241	100.0
351.21515	26.5
351.29315	15.0
352.12683	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	351.2166
Annotation	Tuxpanolide
Peak:m/z	Relative Intensity
53.03943	4.8
55.01870	4.3
55.05303	2.6
55.05518	31.2
57.03442	15.5
57.07072	5.7
65.03932	3.5
67.05505	70.3
69.03448	2.8
69.07075	25.5
69.49696	20.9
71.04984	10.1
71.08635	40.0
79.05494	70.5
81.03413	9.8
81.07058	92.3
83.04986	17.7
83.08633	16.8
85.06540	8.2
91.04958	4.9
91.05483	57.4
91.63901	2.4
93.07046	100.0
94.07367	3.5
95.04992	21.2
95.08611	82.1
95.09234	3.9
97.02930	3.6
97.06525	11.0
97.08489	2.6
97.10188	5.9
99.08096	31.5
105.07034	68.8
107.04944	12.4
107.08595	91.8
109.06536	15.5
109.10146	39.5
111.04439	21.2
111.08067	11.4
113.09606	3.0
117.07015	14.5
119.08584	57.7
121.06487	7.1
121.10145	59.9
123.08067	12.6
123.11691	11.0
125.05996	5.9
125.09618	8.7
127.11236	2.8
127.32840	2.5
129.06966	12.7
131.08574	31.6
133.06535	5.0
133.10138	56.7
135.08063	18.0
135.11703	46.5
136.53352	2.7
137.05977	3.8
137.09598	6.3
139.07538	5.3
141.06982	3.3
142.07751	4.7
143.08548	18.1
145.10121	37.7
147.07965	3.7
147.11700	32.1
149.09619	10.5
149.13278	17.5
151.07526	7.6
151.11192	20.3
153.09096	6.3
155.08554	7.2
156.09320	2.9
157.10126	27.1
159.08080	4.6
159.11697	33.1
161.09627	10.6
161.13272	21.0
163.11163	10.7
163.14870	5.2
167.08527	5.6
167.10703	2.8
169.10161	9.3
170.10893	4.6
171.07999	3.5
171.11693	21.9
173.09641	3.9
173.13223	15.7
175.11179	4.8
175.14859	8.6
177.12729	9.1
179.10674	3.8
179.14316	83.0
181.10069	5.0
181.12250	5.1
183.11720	5.2
184.27051	3.2
185.09615	6.4
185.13272	12.2
187.11179	8.2
187.14812	7.9
189.09064	2.8
189.12740	4.5
189.16389	7.6
191.10718	5.3
195.11694	5.7
197.13251	11.1
199.11308	6.7
199.14832	12.2
201.12753	4.6
201.16464	3.2
203.10684	4.1
203.17891	2.6
205.12213	7.0
205.15935	3.2
209.13286	5.7
211.14803	9.4
213.12764	6.6
213.16336	5.0
217.12302	6.2
217.15915	2.9
221.15318	7.1
225.16377	6.0
227.14288	5.1
227.17969	7.4
229.12221	4.4
231.13766	6.3
235.17049	5.3
237.16394	6.5
241.12247	4.4
241.19513	18.5
245.15350	3.5
251.18094	4.0
253.15912	4.1
253.19559	3.6
259.20575	13.4
269.18936	13.7
271.16949	12.4
273.18564	5.5
277.21640	45.8
279.17432	7.0
285.18604	4.8
287.20126	20.9
297.18484	37.0
315.19559	61.2
324.35754	2.9
333.20621	79.7
342.95081	2.8
351.25357	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2164
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
53.03947	4.7
53.51845	3.5
55.01876	5.6
55.05510	6.8
65.37621	4.3
67.05500	17.5
69.03433	20.6
69.07062	9.5
69.40968	30.2
71.04984	4.7
79.05504	17.3
81.03431	7.0
81.07050	21.4
83.04963	9.8
83.08611	8.8
91.05490	17.4
93.07046	27.1
95.04395	3.9
95.04963	21.7
95.08601	25.9
97.02884	5.5
97.06545	6.0
99.08082	6.3
101.05994	5.2
105.07013	28.3
107.04921	3.9
107.08595	31.5
107.62898	3.7
109.02859	9.8
109.06545	5.3
109.10181	14.5
111.08091	7.9
113.06004	14.1
117.07005	6.2
119.08591	28.7
121.06538	5.2
121.10139	47.0
123.04424	6.8
123.08086	13.9
125.09628	46.9
127.03908	35.1
131.04933	8.9
131.08606	10.7
133.10118	23.8
133.97897	4.0
135.08003	6.7
135.11707	22.2
135.12659	4.3
137.09639	5.9
139.07549	5.1
143.08563	8.6
145.04985	7.9
145.10141	28.6
147.07983	6.0
147.11702	13.5
149.09618	18.2
151.07539	62.9
157.10156	10.9
159.11682	13.6
161.09634	12.5
161.13326	5.3
163.03903	20.8
163.11188	52.4
165.09152	12.8
169.22072	4.1
171.11710	6.2
173.09657	14.4
173.13269	10.9
175.11185	8.9
179.10628	7.5
181.12338	4.2
187.14824	7.1
189.09164	8.6
189.12834	4.3
191.10677	69.3
202.07787	8.0
203.08543	4.3
203.14447	4.6
205.12305	4.3
207.10228	10.0
209.11740	16.1
218.07277	4.2
219.07957	7.0
219.53549	3.8
225.11247	9.4
227.12750	30.4
231.08032	11.8
232.08818	5.3
247.07591	8.0
248.08282	8.0
249.09174	5.7
255.17509	4.2
258.06772	6.5
259.07513	7.8
260.08249	5.5
261.05505	10.9
265.08615	7.2
269.19095	7.0
269.84531	4.2
273.09146	15.0
273.18356	4.5
274.06161	5.3
276.07834	26.4
277.08380	6.1
287.19968	9.2
288.08005	4.2
289.08502	7.6
290.09393	10.3
291.10144	15.6
297.18604	12.0
301.08575	8.3
304.07401	8.7
305.07867	10.7
315.19525	26.0
319.09644	100.0
320.10269	24.9
323.12772	7.5
333.20605	74.4
336.09830	7.2
351.12173	72.7
351.21222	43.8
351.26077	7.2
351.30481	9.2
352.12634	12.6
355.87527	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	351.2165
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
50.61441	3.8
51.41130	3.4
53.03942	4.7
55.05512	9.8
55.24823	3.0
57.03443	4.5
61.80010	4.5
67.05492	15.8
69.03448	17.6
69.07051	11.1
71.05000	5.0
71.58104	3.6
79.05496	12.2
81.03413	8.9
81.07066	23.0
83.04974	8.7
85.02913	6.5
91.05479	15.5
93.07055	18.6
95.04978	11.0
95.08626	18.4
97.02886	10.1
97.06521	7.0
99.04459	6.6
99.08084	5.5
105.07030	29.4
107.08594	26.5
109.02892	8.5
109.06514	7.5
109.10142	11.8
111.04453	6.1
113.06008	7.2
117.07011	4.7
119.08574	26.8
121.06506	6.0
121.10147	42.2
123.08070	11.4
123.11721	5.5
125.09654	31.5
127.03942	32.3
131.04950	7.5
131.08510	6.8
133.10124	24.6
135.08078	6.7
135.11699	15.7
143.08609	7.2
145.02892	4.4
145.04967	7.1
145.10129	18.9
147.04404	4.1
147.08038	10.8
147.11665	13.9
149.09634	11.9
151.07562	40.7
151.11148	4.0
157.10175	6.5
159.11722	8.6
161.09633	9.9
161.13264	4.2
163.03900	5.1
163.11169	26.4
165.09196	5.3
169.10207	4.1
171.11702	8.1
173.09659	5.7
173.13286	5.8
175.11220	5.5
175.14893	3.8
177.05432	7.4
179.10594	4.2
179.14348	4.0
180.49449	3.7
183.11615	4.4
185.13242	5.3
187.14848	6.2
189.09187	6.3
191.08759	6.1
191.10643	40.3
203.08498	4.7
205.06442	5.0
207.10208	4.4
209.11739	9.1
213.16620	4.0
218.07280	4.5
219.08115	6.1
220.08850	4.2
225.11156	8.5
227.12825	12.4
230.07393	4.4
231.08121	8.4
233.05919	5.3
247.07535	13.1
248.08345	10.8
259.07651	9.3
261.05414	4.7
265.08698	7.2
273.09155	17.6
275.07010	8.8
276.07858	29.1
277.08521	11.5
277.21771	5.8
287.07217	4.1
289.08517	9.9
290.09357	13.9
291.10132	23.6
293.08197	5.7
297.18478	9.5
301.08661	7.4
304.07339	13.7
305.07919	9.2
315.19528	21.1
319.09689	87.8
320.10199	19.1
321.07462	3.8
323.12744	5.1
327.80832	3.7
333.20621	41.3
351.12283	100.0
351.21478	48.2
351.26016	10.5
351.30475	4.4
352.12689	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	351.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52789	0.9
54.13183	1.0
55.05508	1.7
56.79398	1.0
57.42888	1.0
67.05500	4.2
69.03431	1.5
69.07056	4.3
71.13910	2.6
79.05479	5.4
81.07062	6.8
91.05489	6.0
91.66883	1.1
92.92715	1.2
93.07043	9.1
95.04977	2.3
95.08604	20.1
96.08945	1.2
97.06548	1.5
99.08099	45.8
103.05540	1.1
105.07029	12.9
107.04945	2.5
107.08601	8.1
108.05725	5.3
108.99261	1.1
109.06535	1.8
109.10163	2.5
111.04435	2.1
119.08586	9.6
121.06533	4.1
121.10132	10.7
123.08070	100.0
124.08408	4.1
125.06038	1.5
133.06458	1.1
133.10152	5.9
135.08028	1.5
135.11713	1.4
136.12024	1.0
137.05949	1.3
139.07608	1.7
141.09113	4.8
145.02881	1.3
145.10152	1.8
147.04385	1.3
147.08038	1.3
147.11662	9.0
149.09634	3.1
149.13261	3.5
151.07562	1.7
151.11182	2.3
165.12732	3.4
175.11212	3.2
177.05446	3.8
181.12221	1.4
193.12265	11.2
211.13298	5.4
221.58952	1.1
340.07153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2162
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
53.03931	1.2
55.01856	6.0
55.05270	0.5
55.05507	7.4
57.03435	4.4
57.07058	2.2
65.03915	0.8
67.05170	0.9
67.05501	15.2
69.03426	1.6
69.07068	5.4
70.72577	1.2
70.72960	1.6
71.04962	1.1
71.08622	4.7
79.05058	1.0
79.05492	13.5
81.03404	1.5
81.07050	32.7
83.04973	2.9
83.08614	3.3
85.06525	1.8
85.10219	0.6
88.35033	0.5
91.05474	9.1
93.07037	16.0
95.04955	2.2
95.08598	11.6
97.02883	0.6
97.06513	2.6
97.10154	1.0
98.97590	0.7
99.04482	0.6
99.08074	4.2
105.07020	9.4
107.04942	0.6
107.08585	12.1
109.02842	1.0
109.06511	12.7
109.10143	7.7
110.10500	0.6
111.04438	14.3
111.08081	1.9
113.09643	0.7
115.05458	0.6
117.07021	2.1
119.07783	1.1
119.08572	11.6
121.06497	0.8
121.10132	6.8
123.08039	2.3
123.11702	2.9
125.05995	3.9
125.09595	0.8
127.03893	3.7
129.06990	1.3
131.08551	3.8
133.10133	11.1
135.08041	3.1
135.11676	7.9
137.05965	100.0
137.09592	2.3
137.13232	2.1
138.06323	1.2
139.07596	0.7
139.11122	0.7
143.08527	2.9
145.10095	4.5
147.08034	2.0
147.11676	9.3
149.09604	3.2
149.13242	4.1
151.07527	2.5
151.11165	4.3
157.10115	3.3
159.11731	3.2
161.09605	7.2
161.13235	5.8
163.03888	1.1
163.11131	4.4
163.14796	1.5
165.09094	3.3
165.12790	1.1
171.11691	2.9
173.13231	0.8
175.11192	5.9
175.14824	2.7
177.12746	2.2
177.16373	0.7
179.10672	2.7
179.14297	1.8
181.12175	0.7
185.13228	1.6
187.14835	0.7
189.09137	0.6
189.12776	1.5
193.12209	1.4
199.14827	0.7
202.07794	0.7
203.14256	0.9
203.17967	5.5
207.10164	1.1
207.13730	1.0
213.16393	2.8
221.18959	1.3
225.11168	0.8
231.08066	1.0
231.17436	8.5
231.21030	1.3
241.15837	2.1
241.19487	2.4
241.77576	0.6
249.18489	11.8
259.20541	8.9
277.18005	44.9
277.21521	6.2
278.18250	1.1
285.71536	0.6
290.09222	0.9
291.10214	1.1
293.08237	0.8
295.19012	13.3
295.22397	0.9
297.18414	0.9
315.19559	1.3
319.09662	2.8
333.20636	1.0
333.24332	1.3
351.12360	3.7
351.21530	22.9
351.25385	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	351.2163
Annotation	CHEBI:68872
Peak:m/z	Relative Intensity
53.03952	3.5
55.05521	19.4
57.07075	3.6
58.43182	2.9
63.39347	3.0
67.05504	44.9
69.03399	3.4
69.07070	16.8
71.04982	5.6
71.10284	5.9
73.91221	3.0
79.05499	44.1
79.17604	3.1
81.03425	6.1
81.07054	69.5
83.04977	15.4
83.08620	9.7
85.06538	6.9
91.05487	49.9
93.07049	73.0
95.04974	21.6
95.08603	56.3
97.06551	7.0
97.10166	4.7
99.08085	3.5
101.78872	3.2
105.07026	77.0
105.07676	5.6
107.04932	6.4
107.08600	100.0
109.06532	10.2
109.10157	31.9
111.04439	27.1
111.08089	5.4
115.05486	4.3
117.07000	19.2
118.07610	3.1
119.08583	61.8
121.06506	5.5
121.10149	54.3
121.10970	2.0
123.08076	6.8
123.11708	11.2
125.06014	10.0
125.09650	5.2
129.07004	11.2
131.08556	38.0
133.06451	5.9
133.10130	60.9
135.08061	31.8
135.11722	27.6
137.05986	5.2
137.09554	5.7
139.07581	5.7
141.06944	3.6
142.07805	5.3
143.08571	26.3
145.10126	44.8
147.08057	7.3
147.11682	34.6
149.09639	16.0
149.13292	16.4
151.07556	8.0
151.11198	4.4
153.09117	10.1
155.08577	6.7
156.09355	8.9
157.10139	33.0
158.10944	6.0
159.08060	7.4
159.11691	32.1
161.09621	10.1
161.13228	16.3
163.11237	11.6
165.09129	7.0
169.10144	16.3
170.10953	6.2
171.11705	35.2
173.09605	7.9
173.13226	18.1
175.11150	7.4
175.14771	3.7
177.12650	4.7
179.10654	7.2
181.10138	6.3
181.12086	4.2
183.08070	4.2
183.11681	10.0
185.09636	4.7
185.13306	20.0
187.11188	11.3
187.14816	10.9
188.08191	3.7
189.09024	6.7
189.16383	13.6
190.02046	3.2
191.10619	10.0
195.10106	3.4
195.11725	12.2
197.13245	8.2
199.11266	8.8
199.14725	15.7
201.12749	7.2
201.16341	4.2
203.10724	7.7
203.14348	3.2
205.12244	10.8
205.15871	5.4
209.13300	13.5
211.14877	7.7
213.12762	13.4
213.16460	4.2
217.12251	11.4
217.16010	5.9
223.14890	5.2
225.16464	10.0
227.14316	4.5
227.17955	9.0
231.13866	12.3
235.14919	4.7
237.16385	9.1
241.12283	3.6
241.19531	12.8
245.15346	8.3
251.17984	11.5
253.15875	3.6
255.13882	7.2
255.17450	5.2
259.20477	5.8
263.12567	16.3
269.19003	25.3
271.16971	21.3
273.18466	9.4
279.17273	9.1
285.18442	10.6
287.20142	33.1
297.15393	6.1
297.18491	58.1
305.74673	3.7
315.19550	87.8
316.20013	3.3
333.20590	87.0
334.20825	6.6
351.21393	52.6
351.25146	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	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
52.57562	0.5
53.03938	0.6
55.01867	0.7
55.05515	1.0
57.03411	0.8
67.05482	1.5
69.03425	1.2
69.07034	0.6
69.79772	2.4
69.80183	0.8
71.08624	1.0
75.39407	0.5
79.05479	1.3
81.03409	0.9
81.07043	2.5
83.04977	0.6
91.05477	1.2
93.07023	2.0
95.08587	1.7
97.02874	1.1
99.04453	0.7
99.08077	1.7
105.07015	1.9
107.08600	1.7
109.02885	1.4
109.06506	0.8
109.10129	1.9
117.07042	0.6
119.08597	3.4
121.10133	1.6
123.08038	1.0
125.09615	4.6
127.03942	3.3
131.08534	0.6
133.10147	2.9
135.11708	0.5
136.64703	0.6
137.05962	1.2
145.04956	1.7
147.08018	1.1
147.11670	0.9
151.11177	0.7
161.09604	1.6
165.09117	0.7
169.53795	0.5
169.85690	0.5
179.10684	1.1
183.47107	0.6
189.09114	1.1
193.12296	0.7
207.10155	1.2
211.13202	0.8
218.07089	0.6
225.11217	1.8
231.07910	0.6
259.20709	0.7
276.07748	0.7
277.08221	0.5
277.21646	1.2
319.09647	2.3
351.12387	2.5
351.21399	100.0
352.21744	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93864	0.8
55.05489	1.8
56.05038	0.9
56.96566	0.8
57.03424	1.1
59.04992	1.0
59.06127	1.1
60.04517	1.1
61.02917	0.8
65.03928	0.8
67.05495	2.9
69.03430	2.9
69.07063	3.4
70.06587	3.8
71.04987	12.3
71.57057	1.3
72.08148	3.5
73.06552	2.0
79.05499	2.7
81.03412	1.5
81.07047	12.2
83.04977	1.8
83.08611	0.9
84.04458	1.0
84.08138	1.2
85.02908	3.7
85.06546	17.2
86.09699	4.8
87.10033	0.9
89.03905	1.8
91.05489	3.1
93.07038	7.2
95.04951	4.0
95.08617	3.6
97.02879	2.5
97.06515	2.0
98.97596	1.3
99.04476	0.8
99.09244	0.9
101.07139	2.8
105.07028	1.8
107.08600	5.8
109.10168	3.6
109.54844	0.9
111.04430	1.2
111.08053	0.9
116.07086	1.6
117.03365	6.0
117.73940	0.8
119.04922	1.7
119.08582	1.1
120.08113	3.9
121.08409	0.8
123.04494	0.9
123.11699	4.6
124.85027	0.7
125.57045	0.8
126.05518	1.6
127.03964	1.5
128.06223	1.5
129.05438	1.0
129.07097	0.8
129.10190	1.1
129.11084	0.9
130.06544	0.8
131.07347	1.6
133.10127	1.2
135.04427	0.8
135.11691	9.9
136.07571	3.0
136.12053	1.0
136.93149	2.4
137.05997	0.9
141.12749	18.7
143.08594	4.2
144.08121	2.7
145.02841	16.1
145.04938	0.9
145.06448	1.1
146.03174	0.9
147.04411	4.9
147.08067	1.0
148.07523	0.9
149.06018	2.8
153.12746	27.9
154.13109	0.8
154.94150	7.4
157.08900	7.2
159.07974	1.0
163.04538	16.3
164.05273	3.8
164.07100	0.9
166.08659	1.0
168.08067	1.3
170.08145	1.4
171.08017	2.3
171.13799	47.8
172.95236	21.7
177.00818	0.9
177.05455	23.4
180.08386	1.4
182.08134	1.4
184.11295	1.2
189.09171	3.5
189.14854	6.7
190.06786	3.8
190.96275	14.5
191.07117	0.9
197.11966	4.5
204.08542	1.4
222.09503	2.5
230.07983	1.4
230.10008	8.7
235.10826	0.9
241.09802	1.2
248.11046	100.0
249.11365	6.2
255.03113	1.9
279.06842	0.9
290.10187	2.7
291.06625	9.2
301.11743	2.7
308.06943	0.9
309.07751	20.3
319.12927	5.3
327.08792	9.5
332.09268	2.0
333.12708	3.5
345.09595	1.1
351.10553	10.6
351.13986	13.7
352.14484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.0
56.05055	1.1
56.96563	0.9
57.22307	0.9
57.41769	0.8
59.06127	45.0
60.04529	10.9
67.05499	1.5
69.03429	1.9
69.07068	3.7
70.02491	4.6
70.02870	1.8
70.06597	3.3
71.04983	3.0
72.08153	3.4
79.05500	2.8
81.03410	2.1
81.07047	6.0
83.04981	14.1
83.08620	13.4
84.04498	7.5
84.08134	2.2
85.02912	6.5
85.04843	1.0
85.06507	1.0
85.07681	4.0
86.06043	1.1
86.09704	6.0
87.05606	1.9
91.05489	3.3
93.07043	12.5
95.05016	1.2
95.08601	3.1
97.02895	1.2
97.06535	31.4
98.97585	1.2
101.07143	100.0
101.09675	1.7
101.10796	2.1
102.05559	2.6
102.06670	0.9
103.03996	1.2
105.07022	1.9
105.66569	0.8
107.08595	7.8
109.02852	1.7
109.06496	1.2
109.10157	4.9
120.08096	3.4
123.04562	0.9
127.03928	3.0
130.05013	2.1
131.04962	1.3
133.10135	1.2
135.11700	8.4
136.07571	1.1
141.12749	5.1
143.11780	1.1
145.02870	3.8
147.04428	5.3
147.84087	1.0
147.85672	0.9
149.05980	1.0
149.91718	1.0
153.12744	16.7
157.08632	2.3
171.13802	15.3
172.95270	2.3
175.09679	2.4
177.05504	4.2
182.08224	1.1
189.14908	1.3
201.00673	1.1
205.08977	6.8
219.01944	1.0
222.11632	3.8
225.73167	0.9
229.04865	1.4
230.09973	3.6
247.06146	1.6
255.15074	1.1
273.07452	1.2
291.08316	1.4
309.06433	1.6
314.32553	0.9
333.12820	1.7
351.10583	1.8
351.16385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63508	1.9
55.05516	10.0
56.05043	2.3
57.03433	4.0
57.07071	3.5
59.04999	2.8
59.06114	4.5
67.05513	14.9
69.03430	6.7
69.07070	24.8
70.06590	5.3
71.04990	3.1
71.20006	2.5
71.20319	3.0
72.48008	1.9
79.05479	11.2
81.03427	4.7
81.07059	32.6
83.04968	4.0
83.08615	5.3
85.02905	20.5
85.07674	2.7
91.05479	14.7
93.07044	40.9
95.04967	4.5
95.08614	47.0
97.02901	5.2
97.06533	8.5
99.08099	48.3
101.07139	7.4
105.07050	17.5
107.04948	3.2
107.08600	44.7
108.05753	6.3
109.02889	3.1
109.06536	7.2
109.10169	23.0
111.04474	3.3
111.08107	4.9
116.07099	6.2
117.06655	3.8
117.07494	2.3
119.08585	16.1
121.06516	3.9
121.10140	13.3
123.08070	100.0
123.11726	7.2
127.03929	6.0
129.05481	3.0
131.08577	8.3
133.06479	3.4
133.10127	12.2
135.08054	7.6
135.11691	42.4
137.05971	4.7
137.13239	2.8
139.07527	2.5
141.09149	5.5
145.04916	3.4
145.10149	6.7
147.04405	6.6
147.11691	12.1
149.09602	6.3
149.13309	3.6
151.07500	3.3
151.11215	3.4
153.12749	40.2
154.13060	7.6
157.10146	3.0
159.11768	3.3
161.09671	2.6
161.13254	2.1
165.09071	2.5
165.12752	2.3
171.11690	3.2
171.13820	12.9
172.95256	3.9
175.11139	4.4
177.05472	3.5
177.12659	2.6
181.12285	2.8
189.13264	2.7
189.14848	15.3
190.96214	3.3
193.12251	11.3
203.35213	2.0
211.13315	2.1
249.14938	2.2
265.04773	2.4
276.20035	2.5
291.03394	2.2
291.06677	7.2
297.18536	3.8
307.09573	2.4
308.06848	2.4
309.07458	2.8
315.19583	5.0
323.08975	3.1
351.08777	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	351.2011
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
51.05704	0.9
55.01881	1.1
55.05492	3.9
55.50377	0.9
57.03428	2.3
57.07065	2.8
59.04992	2.1
64.82908	1.3
67.05499	4.9
69.03439	2.4
69.07069	17.9
69.46517	8.6
71.04990	2.4
79.05476	4.1
81.03399	2.3
81.07052	13.7
83.04948	2.1
83.08617	4.2
85.02907	18.3
85.06529	1.2
86.09708	1.7
87.00835	2.6
89.03890	3.1
91.05482	7.8
92.05784	2.7
93.07045	17.8
95.04972	2.3
95.08045	1.7
95.08605	17.7
97.02889	3.7
97.06512	3.7
105.07024	3.3
107.04935	1.4
107.08588	21.3
109.02882	2.5
109.06521	1.6
109.09435	1.7
109.10157	16.1
111.08060	1.2
112.16814	1.1
117.03354	4.4
119.08557	3.6
120.08118	4.8
121.08423	2.4
121.10091	1.9
123.08089	1.4
123.11739	5.5
125.13239	1.1
127.03947	2.2
128.06184	4.0
129.05492	1.5
133.10101	1.8
135.04419	11.2
135.10678	2.1
135.11690	36.8
136.12027	1.5
137.13213	1.4
143.08553	4.6
145.02852	6.4
145.04947	2.3
145.10077	1.4
147.11734	1.8
149.09705	1.1
153.12741	37.5
159.11649	1.3
160.05191	1.0
163.03906	47.9
164.04221	3.6
164.38907	0.9
171.08047	1.4
171.13849	8.6
173.05927	2.0
174.06783	2.3
182.99658	2.6
187.07649	1.3
189.09111	100.0
189.14825	15.7
190.09465	5.2
201.00748	6.3
219.01802	1.5
230.09914	2.4
232.11633	2.0
333.12729	1.0
333.61380	1.0
351.07321	5.2
351.10828	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
55.05511	6.9
56.05024	2.0
57.03429	3.5
57.07058	2.0
59.04990	2.3
59.06126	21.2
60.04525	6.1
61.02921	2.3
67.05497	8.0
69.03425	6.5
69.07071	15.1
70.02027	1.9
70.06583	14.5
70.58218	5.6
71.04991	7.9
72.08134	5.3
73.02919	2.3
79.05486	8.1
81.03409	2.4
81.07059	17.6
83.04973	3.8
83.08626	12.6
84.04488	6.4
84.08131	7.8
85.02912	14.3
85.06551	12.1
86.06101	1.9
86.09708	10.6
88.96139	1.8
91.05463	17.5
93.07046	30.2
94.07383	1.9
95.04939	2.2
95.08606	12.7
97.02899	4.8
97.06536	51.2
98.97593	2.9
101.07143	44.2
103.08757	2.7
105.03378	2.5
105.07026	7.6
107.08597	27.2
109.02878	4.0
109.06546	1.9
109.10181	10.9
111.04470	3.0
116.07089	3.4
116.98619	3.6
119.04948	3.5
119.08586	5.0
120.08086	14.3
120.52811	2.2
121.02886	2.1
123.11705	11.8
127.03932	2.3
129.07080	2.2
130.49969	2.1
133.10147	3.4
135.04437	3.0
135.11697	24.0
136.06177	33.0
136.07254	2.8
136.07625	2.0
141.12732	9.2
143.08533	5.6
145.02814	2.6
145.04965	3.3
147.04401	13.8
147.08023	2.4
148.04822	3.9
148.06133	5.1
153.12752	30.7
154.94093	2.8
163.03897	4.9
168.07965	2.3
169.12178	2.2
170.08003	2.3
171.08058	6.2
171.10471	9.3
171.13791	30.9
172.95216	6.1
177.05467	4.6
179.07045	2.3
182.08220	2.9
182.09651	19.5
189.09122	3.1
189.14864	26.5
190.96306	4.6
196.11229	3.3
197.12016	31.2
198.12611	4.2
201.00708	14.0
201.06027	3.2
202.06871	7.2
202.10852	4.1
203.05309	3.5
204.08421	19.0
205.08881	6.5
214.06938	2.5
215.07588	5.8
216.08371	2.7
219.01773	4.5
220.11971	34.4
222.11569	4.1
229.08644	3.9
230.08125	4.5
230.10010	100.0
231.10335	7.6
248.11142	17.1
261.10052	2.9
309.07803	7.6
327.08664	3.1
333.12738	50.6
334.12912	5.3
351.10504	7.5
351.13660	11.4
352.16272	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	351.2015
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.93864	0.8
55.05489	1.8
56.05038	0.9
56.96566	0.8
57.03424	1.1
59.04992	1.0
59.06127	1.1
60.04517	1.1
61.02917	0.8
65.03928	0.8
67.05495	2.9
69.03430	2.9
69.07063	3.4
70.06587	3.8
71.04987	12.3
71.57057	1.3
72.08148	3.5
73.06552	2.0
79.05499	2.7
81.03412	1.5
81.07047	12.2
83.04977	1.8
83.08611	0.9
84.04458	1.0
84.08138	1.2
85.02908	3.7
85.06546	17.2
86.09699	4.8
87.10033	0.9
89.03905	1.8
91.05489	3.1
93.07038	7.2
95.04951	4.0
95.08617	3.6
97.02879	2.5
97.06515	2.0
98.97596	1.3
99.04476	0.8
99.09244	0.9
101.07139	2.8
105.07028	1.8
107.08600	5.8
109.10168	3.6
109.54844	0.9
111.04430	1.2
111.08053	0.9
116.07086	1.6
117.03365	6.0
117.73940	0.8
119.04922	1.7
119.08582	1.1
120.08113	3.9
121.08409	0.8
123.04494	0.9
123.11699	4.6
124.85027	0.7
125.57045	0.8
126.05518	1.6
127.03964	1.5
128.06223	1.5
129.05438	1.0
129.07097	0.8
129.10190	1.1
129.11084	0.9
130.06544	0.8
131.07347	1.6
133.10127	1.2
135.04427	0.8
135.11691	9.9
136.07571	3.0
136.12053	1.0
136.93149	2.4
137.05997	0.9
141.12749	18.7
143.08594	4.2
144.08121	2.7
145.02841	16.1
145.04938	0.9
145.06448	1.1
146.03174	0.9
147.04411	4.9
147.08067	1.0
148.07523	0.9
149.06018	2.8
153.12746	27.9
154.13109	0.8
154.94150	7.4
157.08900	7.2
159.07974	1.0
163.04538	16.3
164.05273	3.8
164.07100	0.9
166.08659	1.0
168.08067	1.3
170.08145	1.4
171.08017	2.3
171.13799	47.8
172.95236	21.7
177.00818	0.9
177.05455	23.4
180.08386	1.4
182.08134	1.4
184.11295	1.2
189.09171	3.5
189.14854	6.7
190.06786	3.8
190.96275	14.5
191.07117	0.9
197.11966	4.5
204.08542	1.4
222.09503	2.5
230.07983	1.4
230.10008	8.7
235.10826	0.9
241.09802	1.2
248.11046	100.0
249.11365	6.2
255.03113	1.9
279.06842	0.9
290.10187	2.7
291.06625	9.2
301.11743	2.7
308.06943	0.9
309.07751	20.3
319.12927	5.3
327.08792	9.5
332.09268	2.0
333.12708	3.5
345.09595	1.1
351.10553	10.6
351.13986	13.7
352.14484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61998	0.6
55.05507	1.3
56.05037	0.7
57.03429	0.6
57.88123	0.5
59.06126	49.5
60.04254	0.8
60.04530	9.3
60.05839	0.5
67.05502	0.7
69.03413	1.3
69.07064	1.2
70.06573	1.3
71.04962	0.5
71.58752	1.3
72.08149	1.2
75.13223	0.5
81.03416	0.7
81.07038	1.1
83.04985	1.9
84.04511	1.0
84.97581	0.5
85.02903	1.4
86.09706	2.4
87.10067	0.8
91.05479	1.7
93.07020	1.6
95.04991	0.9
95.08632	0.6
97.02916	0.8
97.06545	0.9
98.97551	0.7
101.07144	100.0
101.10780	2.5
102.06671	0.7
102.07475	1.7
105.07052	0.7
107.08611	1.2
109.10168	0.9
110.17237	0.6
116.98606	0.6
117.03429	0.9
119.05003	0.6
119.08588	0.6
120.46518	0.6
122.05985	0.7
124.07565	0.7
131.08591	0.6
135.11699	1.7
136.07623	1.0
145.02873	2.0
145.06462	0.7
147.04410	3.2
148.04762	0.6
149.05972	0.8
153.12759	1.5
154.94142	1.0
158.07222	0.6
168.06587	0.8
170.08173	1.8
171.08145	1.5
172.95222	1.1
177.05472	3.8
182.08133	2.8
190.96342	0.8
200.09488	0.7
201.05423	0.6
201.10214	0.7
213.06993	0.7
215.11768	1.1
219.11356	0.8
229.08693	1.1
241.13387	0.7
247.09654	0.8
293.09210	0.7
297.18921	0.7
315.13544	1.2
333.14526	1.3
351.11099	2.2
351.15564	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	351.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.9
55.05514	13.8
56.05042	1.0
58.41286	0.7
58.99593	0.7
59.06124	49.9
60.04523	8.8
62.51078	0.7
67.05502	1.1
69.03427	2.1
69.07066	2.5
69.44041	0.7
69.79439	0.7
69.95303	3.6
70.06601	1.5
71.05001	2.7
76.32636	0.7
79.05496	3.1
81.07066	4.8
83.04988	2.5
83.08620	29.9
84.04507	13.6
85.02905	2.9
85.07658	4.6
86.09705	3.6
86.99079	1.6
87.05587	1.4
87.10059	0.7
91.05476	4.6
93.07042	9.3
95.04964	1.2
95.08604	1.4
97.02897	1.9
97.06533	27.8
101.07144	100.0
101.09648	5.0
101.10757	1.2
103.08723	1.4
105.00100	2.7
105.07030	1.0
107.08598	8.2
109.06490	1.3
109.10141	4.7
110.06012	0.8
111.04427	0.9
117.07009	2.2
119.04915	3.6
119.08581	1.3
123.11703	1.1
124.07643	1.0
127.03867	0.9
130.05013	2.5
131.04953	1.0
133.06570	0.9
135.11679	7.1
141.12729	5.8
142.03206	1.9
145.02841	3.6
145.06496	3.4
147.04414	13.7
147.08044	0.9
148.04770	1.9
152.07115	1.0
153.12762	12.1
159.08394	1.5
170.08122	2.6
171.13802	12.4
173.05978	2.2
177.05460	6.0
182.08148	3.3
185.55330	0.7
188.03720	0.8
189.05463	1.8
189.12744	0.8
201.05421	5.9
201.12546	1.1
205.08954	18.1
205.10849	1.3
217.08173	0.8
222.11552	7.8
229.04953	7.9
247.06053	6.9
292.60770	0.8
294.27536	0.8
333.10889	0.9
351.10837	4.5
351.15848	6.2
359.14273	0.8
360.77539	0.8
360.91873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11623	0.6
55.05512	0.7
56.50521	0.6
57.03406	0.8
67.05503	1.2
69.03423	3.5
69.07052	0.8
70.77242	1.3
71.04985	1.0
72.08115	0.9
73.02888	0.7
73.55090	0.6
75.90829	0.6
81.03407	1.3
81.07052	1.2
85.02908	4.1
85.06541	11.7
87.61966	0.7
91.05476	1.7
93.07025	0.8
94.65191	0.6
97.02874	1.8
99.04468	0.9
103.05489	0.7
105.07005	1.1
107.04964	0.8
109.02912	1.0
115.05447	1.5
121.02891	1.3
127.03908	0.9
128.06218	27.2
130.06490	0.8
131.07341	1.0
131.08569	1.2
133.06476	0.7
141.06940	2.0
143.08554	100.0
144.08022	1.5
144.09004	1.1
145.06445	2.8
147.07953	0.7
155.06061	0.9
157.08887	7.4
159.08014	1.8
161.09607	1.5
163.04517	15.2
164.05290	4.7
171.08041	35.3
171.10291	1.3
172.08400	0.8
177.06041	2.1
180.08374	1.5
182.09572	1.9
184.11234	1.0
189.09105	68.6
190.06773	3.7
190.09418	1.2
194.08083	0.7
197.11972	4.4
204.08417	1.9
211.56450	0.7
215.07597	0.9
222.09477	1.8
230.10054	8.0
248.11037	90.9
249.11365	3.0
333.12634	8.6
351.09915	1.2
351.13882	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	351.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
57.03416	0.4
61.02898	0.6
67.05480	0.2
67.52555	0.2
69.03431	1.4
69.49667	0.7
69.50095	0.9
70.06564	0.3
71.05000	0.3
72.08121	0.2
73.02898	0.4
81.03388	0.7
81.07034	0.4
81.41901	0.2
83.57539	0.2
84.08099	0.2
85.02901	2.5
85.06528	0.6
86.09686	0.4
87.00835	0.2
87.04453	0.2
91.05480	1.6
93.06994	0.3
97.02908	1.0
98.97533	0.2
103.05445	0.5
105.06995	0.6
107.04942	0.3
107.08582	0.3
109.02888	0.4
115.05439	1.3
117.07021	0.4
123.11722	0.2
127.03916	0.5
128.06223	12.4
128.37674	0.2
129.06993	0.6
129.88167	0.2
130.50578	0.2
131.04904	0.2
131.08559	0.7
133.10167	0.3
139.84966	0.2
140.74722	0.2
141.06987	1.2
143.08559	17.3
144.05708	0.3
144.08904	0.4
145.04939	0.2
145.06473	1.2
145.10141	0.3
146.07159	0.2
153.06946	0.4
155.06020	0.7
157.06506	0.7
158.07317	0.9
159.08035	0.6
160.08824	0.3
161.09621	0.4
163.04501	0.2
171.08035	1.9
173.09573	1.6
189.09103	100.0
190.09456	1.6
220.07663	0.2
248.11023	1.7
333.13306	0.2
351.14383	8.7
352.14862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04858	0.7
52.58228	0.9
53.03948	8.0
55.01873	2.1
55.05517	4.8
57.03438	3.6
59.05003	1.2
65.03947	0.9
67.01853	3.1
67.05506	8.9
69.03434	12.5
69.07063	3.4
69.67792	3.9
69.68203	1.3
71.05002	6.1
71.08633	4.3
71.19185	0.7
79.05495	9.1
79.47610	0.7
81.03418	21.7
81.07059	12.8
83.01323	1.1
83.04982	2.1
83.08621	2.4
83.41254	0.7
85.02908	2.7
85.06577	1.0
90.42219	0.7
91.05485	11.8
93.07049	19.7
95.04985	4.3
95.08618	8.5
97.02894	10.4
97.06512	0.9
97.20322	0.6
99.04462	14.9
99.08105	4.8
103.05447	0.8
105.06382	1.3
105.07039	17.5
107.04963	2.0
107.08601	17.1
109.02884	24.4
109.06520	8.5
109.10175	6.6
111.04414	1.6
111.08084	3.2
113.06050	0.9
115.03917	0.8
117.07046	3.4
119.08586	36.8
121.06489	2.8
121.10152	9.9
123.04453	1.0
123.08094	6.6
123.11720	3.4
125.09609	2.4
127.03922	100.0
128.04253	1.0
128.06219	1.7
129.07040	1.7
131.08568	3.4
133.06500	1.9
133.10136	29.6
135.08067	3.1
135.11717	7.0
137.05954	1.6
137.09618	4.1
137.13269	1.0
143.08554	5.6
145.04965	18.1
145.06581	1.3
145.10094	4.4
147.04457	1.0
147.08038	13.9
147.11700	3.7
149.09642	1.3
149.13335	2.0
151.11188	5.6
157.10223	1.3
159.11678	2.2
160.89693	0.8
161.09637	18.5
161.10951	1.5
161.13264	3.4
162.79094	0.8
163.07556	1.2
163.11211	5.1
163.14845	1.0
165.09128	16.0
165.12787	0.8
169.10146	0.7
171.08080	2.1
171.11726	2.1
173.09630	1.0
173.13283	1.4
179.10689	14.5
179.14322	1.6
183.11639	1.1
185.09683	0.9
185.13243	2.1
187.14827	1.8
189.09106	14.0
199.11102	1.0
201.16367	0.9
202.07816	1.1
203.08606	1.3
207.10170	23.7
207.12036	1.5
219.08136	1.8
221.15121	0.8
225.11215	23.5
225.13353	1.3
230.07382	1.0
231.08084	3.1
231.13826	1.1
241.19519	1.6
246.06767	0.8
247.07567	2.6
248.08308	1.8
249.09013	0.9
259.07544	2.9
259.20584	4.5
260.08249	1.3
261.05542	1.9
261.09171	1.4
273.09201	1.8
275.07053	2.0
276.07852	4.6
277.08499	1.9
277.21533	4.8
288.07959	0.8
289.08667	2.3
290.09439	3.8
291.10025	5.6
293.08148	1.6
301.08514	1.2
304.07306	3.0
305.08127	2.7
318.08978	1.2
319.09634	13.8
320.10419	3.2
333.13321	3.2
333.20523	2.1
336.09979	1.6
351.11981	17.1
351.21375	33.8
351.25433	7.4
351.29990	1.1
355.34064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.1
55.01859	1.9
55.04558	0.6
55.05511	5.5
57.03450	3.1
57.03670	0.6
57.07069	1.2
58.35106	0.6
59.04989	0.7
60.69397	0.7
65.03928	0.8
67.01857	3.8
67.05508	10.4
69.03430	11.5
69.07050	3.5
71.04996	5.2
71.08639	3.1
71.57913	1.1
79.05489	11.2
81.03418	25.2
81.07059	12.8
82.03771	0.7
83.01330	1.0
83.04964	2.2
83.08601	2.1
85.02890	2.2
85.06549	1.1
91.05482	14.1
93.07043	19.1
95.04971	4.1
95.08610	8.2
97.02895	7.7
97.06509	1.4
97.10171	0.9
99.04458	17.3
99.08082	2.6
105.07034	20.1
107.04955	1.6
107.08595	15.5
109.02880	23.6
109.06516	6.5
109.10168	4.7
111.04453	1.8
111.08096	2.7
115.05486	1.2
117.06989	3.5
119.08582	39.5
121.06542	3.7
121.10138	10.1
123.04457	0.9
123.08070	5.9
123.11712	2.9
125.09649	0.8
127.03918	100.0
128.04248	1.0
128.06244	0.9
129.06990	2.8
131.08578	4.2
131.09396	0.7
133.10127	32.0
134.10493	0.8
135.08061	1.6
135.11705	7.0
137.06061	1.0
137.09615	2.7
141.07037	0.8
143.08588	5.2
145.04953	19.6
145.10127	5.1
146.07339	1.0
147.08047	12.8
147.11691	3.8
149.05988	0.8
149.09589	1.3
149.13280	1.7
151.11200	4.4
157.10146	1.9
159.11691	1.3
161.09619	17.9
161.13258	3.7
163.11244	4.3
165.09123	18.1
171.08119	2.3
171.11763	1.1
173.13275	1.2
175.14807	1.8
179.10678	16.3
179.14290	1.4
185.09703	0.9
185.13254	1.5
187.14771	0.8
189.09094	13.5
189.10728	0.9
199.14848	1.1
207.10170	23.5
207.12050	1.3
225.09038	1.4
225.11227	26.6
231.21164	1.0
241.19536	2.0
259.20590	6.2
277.21591	3.7
316.08847	0.7
319.09705	1.7
333.13306	2.6
333.24503	0.9
351.14404	6.4
351.19864	3.9
351.25183	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	351.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25807	0.5
56.96593	0.4
63.05068	0.5
66.70614	0.4
67.05483	0.6
67.33587	0.5
68.50711	0.5
69.07067	0.7
69.46341	1.0
69.46739	4.3
70.06587	1.1
72.19466	0.4
79.05499	0.9
81.03429	0.6
81.07043	0.9
85.02908	2.6
86.09686	0.6
87.00832	0.6
89.03915	0.7
91.05483	1.5
93.07040	1.7
95.08599	1.1
101.07156	0.6
105.07023	0.8
107.04939	0.9
107.08597	1.7
109.10125	1.3
115.05447	0.5
116.07109	0.8
117.03391	1.3
119.08559	0.6
120.08143	1.0
121.08413	0.7
123.04435	0.6
128.06197	4.0
135.04436	2.2
135.11687	1.8
143.08545	5.2
145.02820	2.1
153.12698	2.2
160.05157	1.0
161.05951	0.8
163.03917	12.0
171.08067	1.0
171.13791	0.6
173.06000	1.9
174.06754	3.4
187.07520	0.6
189.09103	100.0
190.09422	2.0
201.00734	2.6
205.23381	0.5
273.63269	0.5
291.06720	0.7
333.91226	0.5
340.86465	0.5
351.07065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69786	0.3
66.18079	0.2
70.92633	1.0
71.04980	0.3
81.07046	0.3
85.02865	0.4
85.06542	12.2
85.07063	0.6
94.14312	0.3
95.04972	0.3
105.79069	0.3
111.98818	0.3
120.08078	0.4
128.06223	2.5
130.06554	0.7
130.07764	0.3
131.07333	1.5
138.03589	0.3
139.04591	0.3
143.08557	10.7
144.08037	1.4
145.02838	0.6
145.06456	0.3
145.08868	0.5
146.09619	0.4
156.08092	0.6
157.08871	8.9
157.10123	0.6
158.09344	0.4
161.09645	0.3
162.03758	0.4
163.04510	18.1
164.05286	4.1
168.08069	0.6
170.09679	0.3
171.08054	4.2
171.10413	1.1
172.11185	0.5
176.05292	0.5
177.06136	1.6
178.06833	0.7
180.08365	0.8
181.08887	0.6
182.09625	1.8
184.11203	0.7
189.09106	7.5
190.06807	2.9
196.11188	0.7
197.11996	4.0
198.12762	0.4
202.06871	0.8
204.08444	1.9
215.07649	0.8
216.08304	0.3
222.09462	2.6
230.09981	8.0
231.10304	0.4
233.08719	1.0
248.11038	100.0
249.11385	3.0
305.13065	0.5
319.12915	0.3
333.12659	11.5
334.13080	0.6
351.13779	23.1
352.14026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05512	28.8
56.05040	0.9
56.96559	1.2
57.03432	2.0
59.04980	1.3
59.06126	11.0
59.63551	0.8
60.04526	2.3
67.32896	0.8
67.86377	0.8
69.03448	1.3
69.07067	2.0
70.06606	4.8
71.04980	1.0
71.42105	1.6
72.08136	2.1
73.02908	1.7
79.05504	1.4
81.03414	1.2
81.07056	2.8
83.04982	100.0
83.08624	2.1
84.04513	4.8
84.05321	1.1
84.08143	1.9
85.02914	7.5
85.07662	1.1
86.09689	4.1
89.03906	1.0
91.05460	1.9
93.07055	3.5
95.01343	4.3
95.04967	0.9
95.08598	1.3
97.02895	2.2
97.06546	5.9
98.97621	1.4
101.06049	2.2
101.07144	26.8
102.05547	2.1
103.03964	1.6
107.08594	2.5
109.02874	1.4
109.10169	1.7
113.02347	1.0
116.07101	0.8
116.98651	1.1
117.03381	1.7
119.04915	2.2
119.08556	0.9
120.08147	3.8
123.11737	0.9
127.03939	1.8
130.05013	2.3
131.03429	1.4
135.11693	2.4
137.67152	0.8
141.01825	9.1
141.12758	1.4
145.02876	4.3
146.99693	0.9
147.04419	5.4
151.06007	0.8
153.12729	3.2
157.08603	23.5
171.13805	3.0
172.95265	2.5
173.12894	1.1
175.09651	22.4
175.11182	1.1
177.05482	8.5
187.10883	1.0
189.09158	1.0
190.96266	2.0
195.75656	1.1
203.07401	1.4
205.08987	1.5
222.11481	0.9
291.06598	2.0
300.11896	1.0
309.07877	2.5
351.10562	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1225
Annotation	Indicanine C
Peak:m/z	Relative Intensity
51.17551	0.6
53.03963	1.0
55.01883	0.7
55.05503	1.2
62.10376	0.7
62.86155	0.7
67.05506	2.1
69.03436	1.5
69.07093	0.6
71.08617	1.5
71.59450	0.6
71.59892	0.8
79.05503	2.6
81.03425	2.9
81.07064	3.0
83.04974	1.3
85.02913	0.6
86.30165	0.6
91.05486	2.9
93.07034	3.2
95.01367	0.6
95.04967	1.2
95.08624	2.7
97.02921	1.5
99.04457	0.9
99.08105	1.4
105.07029	2.5
107.08606	2.9
109.02886	2.5
109.06527	1.1
109.10175	1.2
111.08023	0.7
119.08591	5.5
121.10154	2.5
123.08107	1.2
125.09642	2.7
127.03910	10.3
129.07042	0.8
131.05037	1.0
131.08597	0.9
133.10112	4.4
135.11722	1.6
143.08540	0.8
145.04985	1.7
145.06398	0.8
145.10158	1.5
147.04391	3.5
147.08067	2.0
150.77193	0.8
151.11156	1.4
161.09637	2.6
163.11241	1.8
164.59283	0.9
165.06879	0.8
165.09181	1.5
173.13393	0.7
177.07054	0.7
179.10712	1.7
189.06999	1.8
189.09117	2.1
189.27780	0.7
190.07773	1.9
191.08568	3.1
192.09435	0.7
199.07495	1.3
202.07722	7.4
203.08575	4.3
205.06520	4.1
206.07317	0.9
207.08246	0.8
207.10194	2.6
209.11685	1.3
215.08583	2.7
217.06520	1.0
218.07285	2.8
219.08055	7.7
220.08806	5.4
221.09453	0.8
222.06902	0.7
225.11195	2.5
226.07590	0.7
229.06493	1.3
230.07271	5.4
231.08044	13.7
232.08751	3.7
233.05945	5.9
233.09579	1.8
234.06842	2.3
235.07625	0.9
237.09068	2.3
242.07362	1.2
243.07979	1.8
244.05139	0.9
245.05997	1.9
245.09708	1.5
246.06778	4.2
247.07542	11.9
248.08299	12.4
249.09009	3.7
250.06259	1.7
257.06274	1.0
258.06757	5.5
259.07516	9.4
260.08298	6.3
261.05438	8.5
261.09052	3.6
262.06192	2.3
262.09973	2.1
263.07141	0.7
263.10580	3.8
265.08502	5.8
272.08264	0.9
273.05911	1.4
273.09076	18.9
274.06250	3.6
274.09573	1.5
275.07040	7.5
276.07794	30.6
276.10861	1.5
277.08533	8.7
278.09427	1.3
280.07794	0.9
287.07028	1.7
288.07843	2.8
289.04968	3.5
289.08612	11.1
290.05981	1.5
290.09311	16.0
291.07449	0.6
291.10123	18.4
293.08096	6.5
301.08600	10.7
302.09033	0.7
303.06757	1.1
304.07294	17.4
305.08084	10.2
307.09619	1.4
308.10303	3.5
318.08847	2.7
319.09631	100.0
320.10321	20.3
321.07507	1.9
321.10950	1.2
323.12741	5.9
333.20380	0.9
336.09879	3.2
351.12241	72.0
351.21310	19.7
351.25574	2.0
352.12622	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	351.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67218	0.9
54.47860	1.0
55.05494	1.4
56.05046	0.9
56.96294	1.2
56.96566	18.6
59.51304	0.7
60.04508	0.8
61.02914	1.0
63.32612	0.8
69.03425	2.0
70.06582	2.1
70.59898	1.0
70.60247	2.3
71.04993	1.3
71.95262	0.9
72.08175	1.1
79.05516	1.1
81.03398	1.6
84.04515	1.8
84.08143	2.6
84.96038	3.4
85.02905	6.3
86.09689	1.8
91.05468	0.9
95.04946	1.1
97.02866	1.7
98.97583	74.8
110.10526	0.8
110.97588	3.7
116.98619	65.9
119.01878	1.2
119.04911	1.6
120.08140	1.3
126.26591	0.9
127.03931	4.3
127.36920	0.9
128.98589	9.8
129.10266	1.2
131.00183	1.6
134.98625	1.8
134.99664	36.2
135.04315	1.1
136.06136	1.1
139.18950	0.8
140.00166	2.4
143.00163	2.3
144.98112	0.9
145.01726	1.8
145.04971	1.3
146.99663	10.5
147.03253	2.4
147.04436	2.8
149.01251	2.5
151.06380	0.8
152.98619	1.1
153.00742	4.8
155.04468	0.9
158.01257	2.5
158.99654	31.2
161.01231	3.3
161.02957	1.5
162.05516	1.6
162.99121	1.8
163.02733	2.9
163.03964	3.1
165.00639	1.6
165.04292	4.2
170.99628	4.3
171.03300	2.4
175.02856	1.2
177.00713	54.7
177.05635	1.3
179.02434	1.0
182.99638	1.3
189.00815	5.0
189.02573	2.0
189.04323	11.9
190.04997	3.2
193.03877	1.2
195.01732	4.4
200.02299	3.5
201.00729	7.1
201.04251	1.1
207.01762	3.8
207.05397	5.1
219.01756	14.0
219.03615	1.1
219.05272	1.3
223.01198	1.0
224.02292	1.2
231.01645	1.0
231.03508	3.5
231.05508	3.3
237.02818	28.0
242.03607	1.6
243.05605	1.3
249.06593	1.7
255.03812	2.9
260.04398	2.2
261.02805	1.2
291.04269	1.6
291.07480	28.8
292.07968	1.4
305.02948	1.1
309.08551	100.0
310.08923	2.7
320.97589	0.9
332.10236	9.0
351.09634	63.9
352.09793	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	351.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35983	3.0
69.55024	2.5
70.95062	6.8
98.97552	2.6
156.04236	5.2
231.03400	7.9
243.03339	3.6
274.02744	3.0
284.19788	2.9
291.08511	9.2
309.09540	8.4
351.06839	91.6
351.10538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
56.96564	24.4
57.03431	2.9
61.02920	2.4
67.05482	1.9
67.44516	1.3
69.03427	10.7
69.07066	1.6
69.68166	8.5
70.06583	2.6
73.02924	3.0
79.05464	2.1
81.03414	2.4
81.07066	2.5
84.04502	2.0
84.08145	3.7
84.96010	4.8
85.02912	14.5
86.09647	2.1
87.04459	4.0
87.22344	1.3
91.05480	3.6
95.04964	1.6
97.02904	7.8
98.06036	1.4
98.97584	95.3
109.02898	2.7
110.97566	5.9
112.99113	1.5
115.03915	2.6
116.98622	73.4
117.03361	1.8
119.01882	3.6
119.04918	4.2
123.04448	1.7
124.07566	1.3
127.00729	1.5
127.03960	8.0
128.98613	12.0
130.05026	1.5
130.08719	1.7
131.00182	3.3
133.04886	1.5
134.99660	44.0
139.07574	2.1
140.00220	2.8
143.00148	2.8
144.13818	1.8
145.01743	2.9
145.04961	2.7
146.99658	11.1
147.03262	3.2
147.04393	8.6
148.04788	1.7
148.06053	1.8
149.01234	1.6
152.98607	1.8
153.00703	4.4
158.01245	3.0
158.99663	34.3
161.01212	5.8
161.04637	1.5
162.05515	3.5
162.99159	1.4
163.02687	3.7
163.03906	2.0
165.00700	1.6
165.04329	3.2
170.99657	4.8
171.03320	2.5
171.04927	1.3
172.05731	2.2
173.01237	1.5
173.02899	1.3
177.00717	58.7
182.99683	5.8
187.02824	1.7
188.54968	1.7
189.00658	6.9
189.02574	2.7
189.04314	19.3
190.04967	5.2
190.06641	1.8
190.14465	1.7
195.01791	5.8
200.02306	5.5
201.00735	30.3
201.04236	1.7
207.05426	5.4
219.01755	24.9
219.05153	1.8
231.05490	4.2
233.06830	3.8
234.98956	2.2
237.02817	36.3
248.97084	1.4
255.03822	2.7
260.57062	2.7
262.08862	1.8
263.06134	1.4
269.57593	2.9
290.56149	1.6
291.04285	2.8
291.07474	24.0
307.04443	1.5
309.08557	100.0
310.09036	2.0
332.10092	7.6
351.03915	3.9
351.09683	60.4
352.10016	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	350.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73756	0.9
52.04648	1.0
55.01871	1.5
55.05512	2.7
56.96556	1.9
57.03432	1.2
59.04995	1.6
64.13097	0.9
67.05508	21.6
69.03426	5.0
69.07056	3.4
70.81408	2.5
70.81777	1.7
78.61440	1.0
79.05494	4.5
79.16744	1.0
81.03405	1.4
81.07064	11.9
83.04959	2.3
83.08606	1.7
91.05483	6.4
93.07054	9.8
95.04971	1.9
95.08612	13.1
95.34190	0.9
97.02894	5.9
104.56393	1.0
105.07018	8.3
107.04930	1.1
107.08614	14.3
109.06532	3.5
109.10157	100.0
110.10474	2.7
111.04438	3.2
111.08064	1.6
113.05982	1.6
117.07038	2.7
118.33946	0.9
119.08585	30.6
121.06489	2.7
121.10165	6.0
123.08070	4.0
123.11714	2.7
127.03963	2.3
131.08554	2.6
133.06505	5.7
133.10129	20.4
134.10385	0.9
135.08060	2.3
135.11694	3.5
137.09607	3.1
137.13249	1.1
143.08585	3.5
145.10136	3.2
147.08054	12.5
147.11700	1.1
149.09636	1.3
151.11240	1.4
157.10153	2.0
159.11699	2.5
161.09610	12.1
163.11214	1.9
165.09109	14.7
171.11926	2.9
179.10686	10.5
185.09569	1.2
187.11162	3.0
189.09097	7.7
191.10780	1.2
199.14787	1.2
207.10158	17.3
209.11734	2.1
223.16888	1.1
225.11223	49.4
226.11652	1.5
254.94736	1.1
255.17525	1.1
269.19046	1.5
279.17322	1.5
287.20108	2.4
297.18570	4.5
300.83026	1.3
315.19547	10.6
333.20602	11.2
334.20706	1.1
351.25342	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35816	1.1
55.05511	3.7
56.96561	1.5
60.00061	1.0
67.05504	5.3
69.03423	5.9
69.07072	3.5
70.06591	1.5
70.12727	3.6
70.13154	1.7
71.04999	1.2
78.04721	1.0
79.05490	4.5
81.03417	1.4
81.07051	5.8
82.07387	1.2
83.04968	5.8
83.08608	1.7
84.04499	2.1
85.02906	1.7
89.03924	4.1
91.05495	12.3
93.07056	6.0
94.07385	1.1
95.04961	1.5
95.08604	7.2
96.04498	4.7
97.02903	20.1
97.06528	3.9
98.97620	2.5
99.08076	6.8
103.05439	2.1
105.07027	7.4
107.04977	3.0
107.08589	11.5
109.06535	4.1
109.10163	6.9
110.10595	1.3
110.97585	1.1
111.04424	2.1
111.08076	1.3
114.05533	10.2
117.03383	12.2
117.06989	1.5
119.04900	1.3
119.08590	10.5
120.08913	2.0
121.06528	5.5
121.10146	5.3
123.08110	5.3
123.11691	1.8
125.02480	1.1
125.09644	5.5
126.09979	4.3
127.03951	2.3
128.07066	5.1
131.04915	3.1
131.08591	1.4
133.10146	6.3
134.10515	1.1
135.04442	1.7
135.08064	31.8
135.11713	2.4
136.08455	1.5
137.05937	1.2
137.09630	5.3
138.05521	9.2
143.08531	1.8
145.02856	34.2
145.10164	2.7
146.03197	2.1
147.04454	1.6
147.08083	2.9
147.11690	4.6
148.08563	1.1
149.06006	4.8
149.09645	2.8
153.09161	1.2
153.12805	1.5
156.06506	5.0
157.10074	2.6
159.11760	2.2
161.09628	3.9
161.13213	1.8
163.11148	2.0
165.09099	3.3
171.11719	3.3
173.09702	1.8
173.13284	2.1
175.11258	3.5
177.05478	64.0
178.05873	3.4
179.10652	1.5
187.11241	1.6
189.09109	1.4
189.12744	3.1
199.11218	2.9
203.14362	2.1
207.10072	1.5
208.81647	1.1
211.11194	1.0
211.14731	1.1
213.12807	1.0
217.12271	4.8
219.78033	1.1
225.11174	1.8
226.11478	1.1
235.13295	2.6
237.02945	1.6
239.08583	2.1
244.22795	1.6
255.17401	1.7
269.18866	1.5
287.09595	4.9
297.18582	2.9
307.17664	1.1
314.01297	1.1
315.19586	4.8
332.19266	1.2
332.26114	1.3
333.20630	100.0
334.20990	5.7
350.12219	20.3
350.20187	2.1
350.29297	5.4
351.12491	4.6
351.21637	2.7
353.82541	1.1
370.78961	1.1
374.23273	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.9
55.52422	3.7
57.03422	13.0
59.05003	45.1
64.85064	4.3
67.05506	20.5
69.03413	6.8
69.07055	13.6
71.04990	6.0
71.08640	5.9
79.05492	21.3
80.05811	7.2
81.03384	5.4
81.07049	20.7
83.04983	10.7
83.08602	5.4
84.04499	23.2
84.05265	4.1
85.02879	16.3
91.05469	26.1
92.05783	4.9
93.07038	19.0
94.07349	6.1
95.04938	9.6
95.08591	17.6
96.04488	5.4
97.02887	16.5
97.06543	4.5
105.07023	36.8
106.07366	9.2
107.08570	18.5
108.08941	8.9
109.06465	4.6
109.10184	10.2
111.04418	16.2
111.08060	5.6
114.05470	7.0
117.06975	6.6
119.08595	22.6
120.08133	5.0
121.10108	8.6
123.08129	5.9
125.09572	7.3
126.05517	13.3
127.03917	16.1
129.05424	6.4
129.06967	5.3
131.08542	19.4
132.08908	7.9
133.10138	11.9
135.08035	15.5
135.11697	6.1
135.44530	4.1
137.62497	4.0
138.05521	5.7
142.07814	4.7
143.08597	10.0
145.05008	4.2
145.10150	25.7
146.10486	8.5
147.11673	8.9
155.08533	19.2
157.10074	25.0
159.11719	35.8
160.12009	10.4
163.03944	10.5
169.10110	8.2
171.11693	22.8
173.13211	13.6
175.14847	7.0
177.05499	17.7
181.10107	13.5
183.11702	13.4
185.13287	10.7
187.14780	4.7
188.09155	21.0
189.09120	6.2
195.11600	8.6
197.13292	9.4
204.08670	5.9
205.15790	5.9
209.13219	12.2
211.14909	21.8
213.16441	27.9
219.11391	5.0
221.13255	4.5
225.11162	7.1
227.17920	8.4
235.14836	9.1
237.16296	19.3
239.14357	4.9
253.15891	6.7
255.17549	35.4
257.15424	7.5
258.19376	8.8
261.16354	5.2
273.18436	10.0
276.20352	7.3
277.21396	4.7
279.17419	10.7
297.18570	22.2
315.19504	100.0
319.09698	9.0
333.19705	23.0
350.20197	8.2
350.23941	18.7
350.29105	12.5
351.12286	21.5
351.17578	8.7
351.21375	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	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01857	1.2
55.05506	10.3
55.17711	1.0
56.96561	3.2
57.03431	4.4
57.07082	1.7
58.86333	1.3
59.04997	2.4
59.89922	1.2
61.02910	1.8
61.34899	1.1
67.05511	8.6
69.03429	7.1
69.07066	5.8
70.06597	3.0
71.04981	8.9
71.58903	1.4
71.59291	1.5
73.02911	2.4
75.73997	1.1
79.05497	6.9
81.03423	3.8
81.06596	1.5
81.07060	21.6
83.04968	3.7
83.08618	13.0
85.02900	19.8
85.06545	2.9
87.04493	1.1
91.05476	6.5
93.07046	49.7
95.04968	3.3
95.08605	26.9
97.02901	11.2
97.06533	17.7
98.97591	1.6
99.04467	2.1
100.07606	1.2
100.11273	1.7
101.09672	3.7
101.37986	1.1
105.07032	2.9
107.08597	61.9
109.02916	1.7
109.06529	1.4
109.10159	36.6
110.97536	1.3
111.04479	1.2
111.08079	1.7
116.13097	1.1
116.98616	2.0
117.03375	1.8
119.08579	3.8
123.08091	1.1
123.11716	16.2
127.03907	3.9
127.11267	1.5
128.98622	1.8
131.08519	1.2
133.10161	1.4
134.99660	2.6
135.11696	100.0
136.11992	1.4
141.12747	4.3
145.02840	3.0
145.04971	3.8
146.06128	1.1
146.99666	2.5
147.04408	3.0
148.04732	1.8
153.12752	51.1
161.01321	1.3
161.87401	1.2
165.02309	1.0
171.13805	68.7
176.57130	1.1
177.05513	4.8
189.00778	1.4
196.95168	1.1
204.13876	3.8
211.13237	1.4
218.08058	1.9
219.01651	1.4
230.51357	1.2
237.02815	1.7
253.03642	7.0
257.04529	1.6
260.20322	1.1
262.04239	6.3
264.54477	3.6
287.05551	11.3
292.74930	1.3
306.20679	3.2
310.05078	1.8
326.89108	1.2
327.07635	2.5
350.19437	11.4
361.02383	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	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41939	0.8
53.03932	1.4
55.05501	1.0
55.90112	0.9
59.05009	1.7
61.02919	1.4
67.05489	1.8
67.55793	0.9
69.03434	4.3
69.07054	3.9
71.34412	2.2
73.02915	1.2
79.05482	10.8
81.03419	1.1
81.07047	3.6
85.02905	25.0
86.09683	2.9
91.05466	4.7
93.07043	42.5
95.08602	16.7
97.02901	4.9
105.07021	2.7
107.08592	30.8
109.02894	2.1
109.10134	2.0
119.08549	1.7
120.08111	1.2
122.47919	1.0
125.13278	1.1
127.03935	4.6
133.10130	1.0
134.10522	1.1
135.11688	100.0
136.11977	1.8
137.13266	1.8
145.04947	7.8
147.11684	1.1
153.12746	8.0
163.03996	1.1
163.06012	2.8
166.59456	1.0
204.08450	0.9
315.18130	1.3
323.24576	0.9
323.28793	1.1
350.12881	2.9
351.14301	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	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79229	1.0
53.03953	1.4
55.01864	1.4
55.05502	5.2
55.54109	1.1
57.03426	1.9
57.07072	1.5
59.05001	1.2
61.02918	3.2
62.12081	1.1
67.05484	3.8
69.03417	4.6
69.07059	5.2
70.76566	3.0
70.76923	1.5
71.04984	2.8
79.05495	18.0
81.03392	1.9
81.07041	4.8
83.08624	6.4
85.02905	36.4
86.09715	9.1
91.03949	2.1
91.05474	6.6
93.07039	33.1
95.04945	1.9
95.08598	2.8
97.02890	9.7
97.06547	3.2
99.04449	1.8
99.08096	4.5
100.11262	23.3
101.11562	6.4
105.07013	2.7
107.08592	25.7
109.02860	2.9
109.06554	1.2
109.10155	16.7
111.04432	4.1
117.03391	1.4
119.08572	1.3
120.08099	4.2
121.10133	1.7
125.13202	1.4
126.71192	1.4
127.03904	6.2
128.07117	2.2
133.10150	2.8
135.11687	100.0
137.13242	2.3
140.07043	1.4
141.11470	1.2
145.02844	3.7
145.04950	12.0
147.04399	2.1
153.12753	14.9
157.13370	6.3
163.06024	3.4
166.08691	2.0
177.05458	6.1
182.15436	4.3
183.15656	1.7
185.12906	2.0
203.52489	1.1
209.16539	1.9
210.14870	4.7
211.15192	3.6
227.17542	3.4
227.67761	3.1
244.11633	1.8
273.30447	1.4
274.34277	1.1
276.72809	1.8
277.22958	12.6
277.72998	1.9
281.21213	1.3
297.16898	1.5
340.76080	5.1
341.26395	2.1
343.30667	4.0
344.30984	3.5
349.76770	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58502	4.3
53.43216	3.9
55.05509	6.6
55.08474	4.9
57.03436	7.0
57.07069	4.2
58.11175	4.7
67.05512	14.4
69.03421	13.8
69.07059	8.2
70.06606	5.6
70.17489	9.5
70.17907	14.5
70.60328	4.8
71.04990	43.1
79.05503	16.4
81.03407	6.8
81.07057	62.8
83.04983	13.2
83.08636	4.4
85.02913	45.4
85.06539	16.5
86.09700	13.2
91.05484	15.3
93.07043	83.2
95.08617	22.8
97.02891	9.4
97.06546	6.2
98.20858	5.2
98.97601	7.4
105.07046	14.3
107.08600	100.0
107.09296	7.3
109.02914	5.7
109.10165	12.8
111.77325	5.7
120.08109	5.7
127.03970	9.3
131.00133	5.9
133.10141	9.1
135.11688	93.6
137.13245	26.2
143.31015	4.4
145.04944	19.1
153.12759	23.3
162.86345	4.6
163.06024	5.5
163.73196	5.2
181.66605	4.7
184.41980	4.4
188.80476	4.3
211.13399	6.1
237.02885	9.0
239.95032	6.4
314.85901	5.7
351.14255	18.3
367.10654	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19619	2.5
55.05509	4.4
59.06126	3.5
60.04535	2.4
67.05508	3.9
68.72447	2.2
69.03426	3.0
69.07069	4.8
69.53818	16.3
70.06590	56.3
71.04979	11.4
71.09138	2.5
72.08144	3.6
73.06568	3.0
75.05606	2.7
79.05489	3.2
81.03427	3.7
81.07057	23.1
83.04993	3.1
83.08649	3.6
84.08156	2.6
85.02912	5.4
85.07657	2.8
91.05498	3.3
93.07055	12.9
95.08610	9.5
97.02912	3.5
99.08083	3.6
101.07121	3.7
105.07002	3.9
107.08587	9.1
109.10129	4.4
110.07137	3.5
116.07095	100.0
119.08636	2.2
120.08118	7.6
127.03892	3.0
133.10156	2.7
135.11702	17.5
136.06180	2.1
140.32657	2.1
145.02838	3.4
153.11496	4.6
153.12746	87.7
172.95226	5.0
177.05479	9.3
180.10201	3.8
185.99982	2.2
199.14911	2.7
201.50772	2.4
235.07689	3.2
290.03091	3.1
291.06668	4.1
308.07199	2.5
309.07605	3.5
319.09613	4.2
350.23495	4.1
351.08243	11.0
351.12521	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	350.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01885	6.2
55.05481	1.5
57.03440	6.0
57.07062	3.4
60.04524	1.9
61.02924	6.2
68.99786	2.2
69.03078	2.6
69.03432	38.2
69.07051	5.6
69.43661	2.1
69.44078	10.8
71.04981	7.7
73.02905	5.3
81.03423	19.3
83.08621	11.9
85.02911	100.0
87.00833	38.2
91.03971	1.4
93.07021	1.3
97.02888	20.6
98.97561	1.9
99.04456	15.3
102.09184	61.8
103.03905	1.5
105.01873	42.3
107.08594	2.1
109.02887	25.8
117.01878	2.0
127.03925	63.6
129.01831	3.0
135.11713	2.1
142.81554	1.3
145.04964	20.6
145.41168	1.2
147.02837	2.9
159.02882	11.0
163.06064	2.5
169.53198	1.3
179.39037	1.4
189.03960	3.2
213.04103	2.1
231.05009	12.5
309.07071	1.2
327.07541	2.5
351.13901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01867	0.7
55.05514	5.0
57.03424	1.2
57.07074	1.5
63.72455	0.6
64.21226	0.5
67.05509	5.9
69.03428	1.1
69.06721	1.0
69.07070	11.2
69.26329	6.9
71.04986	1.9
71.08634	1.1
73.06564	0.6
77.39494	0.5
79.05510	5.8
81.07058	9.8
83.04976	1.7
83.08627	4.9
85.06528	1.0
88.55453	0.5
91.05493	3.5
93.07056	7.3
95.04965	1.1
95.08617	9.8
97.06528	2.3
97.10168	1.2
103.05494	0.8
105.07037	5.3
107.08600	7.8
109.06535	12.1
109.10150	5.7
111.08074	2.1
117.07017	1.5
119.08588	6.3
121.10159	5.8
123.08078	67.2
123.11713	2.4
124.08382	0.9
125.09636	4.0
128.88345	0.6
129.06987	0.6
131.08595	1.6
133.10136	4.2
135.08035	4.7
135.11699	3.3
137.09634	4.4
137.13286	1.1
143.08588	1.0
145.10104	2.5
145.11154	0.5
147.08023	0.8
147.11711	2.0
149.09625	2.1
149.13283	2.8
151.11124	1.0
157.10262	0.7
159.11723	1.7
161.09564	0.6
161.13251	2.1
163.11111	0.7
165.12717	1.1
173.13309	0.8
177.12740	0.9
179.10748	0.6
179.12729	1.1
179.14322	23.8
185.13306	1.1
189.09042	0.6
208.09769	0.7
233.19073	0.9
275.20090	3.2
289.25214	0.7
293.21155	17.4
294.21454	0.7
307.22635	0.7
331.26370	2.5
345.79221	0.7
349.27390	100.0
350.27646	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05510	5.5
57.07060	1.2
59.04983	0.9
67.05493	3.7
69.07074	9.6
70.14062	2.3
70.14469	1.8
79.05479	3.7
81.07057	9.1
83.04992	1.0
83.08607	3.7
88.93774	0.8
91.05465	2.4
93.07029	4.2
95.08597	6.6
97.06544	2.0
97.10132	1.0
105.07027	3.0
107.08588	4.6
109.06510	8.2
109.10149	2.4
111.08092	1.6
119.08577	2.8
121.10151	3.5
121.14092	0.9
123.08073	62.1
123.11687	1.4
124.08373	0.9
125.09621	1.5
131.08531	1.0
133.10109	2.4
135.08060	3.7
135.11707	2.4
137.09668	4.1
137.10591	0.9
147.11635	1.3
149.09683	1.6
159.11720	1.0
161.13326	1.4
163.11182	1.0
165.12747	0.9
179.14323	3.5
233.19014	1.0
275.20087	2.6
278.24692	0.9
293.21143	14.4
307.22488	1.1
315.10806	0.9
331.26318	2.5
349.27393	100.0
350.27747	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03920	0.4
55.01860	1.0
55.05511	5.6
55.93497	0.5
57.07061	2.1
67.05507	5.7
69.03429	1.0
69.07069	8.5
69.31702	5.1
71.04991	0.8
73.14761	0.5
79.05488	3.2
81.07055	8.5
83.04964	1.0
83.08624	4.1
85.06535	0.7
91.05463	1.9
93.07037	4.9
95.04961	1.1
95.08602	7.3
97.06539	2.2
97.10144	1.2
101.33231	0.5
105.07040	3.4
107.08599	5.4
109.06516	9.8
109.10174	3.7
111.08076	1.7
117.07007	0.8
119.08580	4.7
121.10150	3.6
123.08071	59.7
123.11703	1.9
124.08408	1.1
125.09625	2.2
131.08575	1.0
133.10164	3.2
135.08060	5.0
135.11653	1.8
137.09634	3.4
145.10106	2.0
147.11690	1.9
149.09612	1.6
149.13280	2.0
151.11113	0.8
159.11685	1.3
161.13261	1.5
163.11214	0.6
167.14336	0.6
173.13220	1.0
179.14328	8.9
233.19101	0.8
275.20090	1.8
289.25317	1.3
293.21118	14.6
307.22729	1.0
331.26358	3.2
349.27377	100.0
350.27747	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05515	2.3
56.25789	0.4
57.07079	4.7
60.82361	0.4
67.05500	2.6
68.29910	0.3
68.71199	0.3
69.03402	0.4
69.07079	3.2
69.92717	1.3
69.93137	0.6
71.04990	0.7
71.08641	2.3
79.05490	2.9
81.06654	0.5
81.07062	6.7
83.04966	0.4
83.08596	0.8
85.06548	2.0
91.05489	2.1
92.51207	0.4
93.07051	4.0
93.46604	0.3
94.51071	0.3
95.04948	0.9
95.08059	0.6
95.08614	6.1
97.06503	0.6
97.10139	0.6
98.22592	0.4
99.08079	1.6
105.07046	3.8
107.08604	4.1
109.06526	17.4
109.10149	3.8
110.43153	0.3
111.08053	0.5
112.31911	0.3
117.07008	0.7
119.08588	3.8
121.06493	0.4
121.10148	3.9
122.07317	1.7
123.08076	23.5
123.11712	1.0
125.09603	1.6
131.08575	1.3
131.12419	0.3
133.10133	2.9
135.08043	3.1
135.11674	1.4
136.08839	0.4
137.09587	1.1
137.13269	0.6
142.07756	0.4
143.08537	1.5
145.10104	2.4
147.11688	1.3
147.72168	0.4
149.09650	0.7
149.13286	0.7
153.06827	0.3
157.10144	1.5
159.11667	1.5
161.09654	0.7
161.13231	0.5
162.28099	0.3
165.09103	0.4
165.16405	0.3
167.14348	0.5
169.10219	0.5
171.11685	0.8
173.13242	0.9
175.14876	0.8
179.14319	100.0
180.14658	2.8
183.11696	0.6
185.13161	0.5
187.14809	0.8
192.15134	0.4
193.15866	2.4
209.13246	0.8
213.12694	0.4
225.16293	0.4
229.12454	0.4
276.61481	0.4
293.21350	0.5
331.26370	2.7
349.27420	88.8
350.27704	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	3.3
53.03930	5.9
55.05518	21.2
57.03440	3.7
57.07069	6.3
65.03938	6.7
67.05228	3.3
67.05506	40.7
69.03414	7.5
69.07069	22.2
70.02350	15.0
71.05000	7.3
71.66833	2.6
77.03963	3.0
79.05495	35.4
81.07060	54.3
83.04955	6.2
83.08619	7.2
86.97121	3.4
91.05479	52.4
93.06469	6.1
93.07042	91.4
93.07626	4.4
95.04968	28.1
95.08605	54.0
97.06533	17.9
100.06662	3.3
103.05457	6.3
105.07035	100.0
107.08600	59.9
109.06509	22.1
109.10162	42.7
116.06331	3.4
117.07011	17.9
119.04977	3.5
119.08584	98.9
121.06518	7.3
121.10149	80.7
123.08074	29.3
123.11706	11.8
125.09641	24.1
128.06209	9.6
129.07031	16.2
130.07776	6.4
131.08568	55.0
131.40204	2.6
132.09268	3.0
133.10136	61.0
135.08034	15.4
135.11707	21.7
137.09619	8.5
141.07014	6.0
142.07753	16.4
143.08575	33.2
144.09354	11.7
145.10115	53.9
146.07303	4.7
147.08076	8.3
147.11671	20.9
149.09604	11.6
149.13196	4.1
153.07066	4.4
155.08554	18.0
155.34451	3.1
156.09355	7.6
157.10138	43.0
158.10838	5.9
159.08067	4.9
159.11705	29.9
161.09616	22.8
161.13239	10.3
161.20091	2.9
165.09154	5.9
167.08524	6.3
168.09331	6.1
169.10089	18.2
170.10970	5.5
171.11703	20.4
172.12314	3.1
173.09575	5.3
173.13252	21.8
175.11192	5.4
175.14818	11.5
179.08539	10.0
179.14304	33.0
181.10107	10.7
183.11716	17.9
184.12457	5.5
185.13268	19.9
187.11145	5.0
187.14790	20.1
189.09102	3.7
189.12758	6.8
194.10936	11.6
195.11711	13.5
196.12537	4.2
197.13292	16.0
199.14822	13.5
200.15439	4.1
201.16446	5.5
207.11781	4.9
208.12372	3.9
209.13274	23.1
210.13933	3.9
211.14838	7.5
212.32819	2.9
213.12657	4.5
213.16280	5.8
223.14824	6.5
225.11052	4.7
225.16360	5.3
227.14297	13.2
229.15927	4.5
239.17912	7.1
251.18019	3.4
253.19601	5.9
255.17438	4.7
257.15305	3.4
282.59073	3.2
293.18805	4.4
331.18985	5.7
349.25131	33.0
349.27444	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.7
55.05511	19.5
57.03428	5.9
57.07073	7.9
62.27470	3.0
67.05215	3.9
67.05513	38.8
69.03437	7.4
69.07085	28.3
71.05003	7.7
77.09169	3.5
79.05498	41.3
81.07057	55.5
83.04937	6.1
83.08618	10.0
91.05484	54.5
93.06475	5.1
93.07050	95.8
95.04969	30.1
95.08612	59.3
97.00157	3.3
97.06538	18.2
97.14869	3.2
98.20763	11.1
103.05445	5.5
105.07033	99.3
107.04953	5.1
107.08596	61.2
109.06524	23.8
109.10168	49.5
111.08076	5.1
115.05460	5.2
117.07016	25.0
118.88431	3.2
119.08589	100.0
121.06529	9.2
121.10145	93.8
121.11025	4.3
123.08053	24.6
123.11697	13.8
125.09576	10.7
128.06201	9.9
128.92659	3.5
129.06978	12.4
130.07747	9.0
131.08588	51.5
133.10152	65.7
133.78769	3.2
135.08047	18.4
135.11684	28.7
137.09583	4.2
138.09872	4.1
141.06909	7.3
142.07782	14.5
143.08554	33.5
144.09361	12.6
145.10136	66.6
146.07239	5.8
147.08005	8.4
147.11708	21.2
149.09598	13.8
149.13264	5.9
155.08516	9.9
155.85109	3.4
156.09331	12.3
157.10149	42.3
158.10818	5.5
159.08035	4.8
159.11671	35.5
161.09645	27.7
161.13245	14.3
163.11136	5.5
167.08575	7.8
169.10139	25.3
170.10948	6.2
171.11690	24.7
172.12378	5.0
173.09610	6.9
173.13258	22.6
175.14847	13.4
179.08513	7.7
179.14320	25.2
180.09396	3.4
181.10144	9.6
182.10939	8.1
183.11694	22.7
184.12424	3.8
185.13255	13.0
187.11134	3.8
187.14830	27.6
193.10068	5.9
194.10915	15.2
195.11726	19.3
197.13278	11.8
199.14812	21.6
201.12726	4.8
201.16441	7.8
207.11771	3.9
209.13248	17.3
211.14792	9.9
213.16414	7.0
223.14748	6.6
225.16353	7.1
227.14380	10.0
235.14610	3.9
237.16441	5.7
239.17999	8.3
251.17973	4.2
253.19542	5.4
255.17406	5.4
260.83383	3.6
265.19473	6.3
275.20383	5.3
279.21469	4.5
293.18698	4.7
307.20453	3.6
349.24493	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01871	14.6
55.05264	4.2
55.05510	55.7
57.03436	18.6
59.59446	2.0
65.03941	3.9
67.05502	61.5
69.03419	4.6
69.07060	24.1
71.05008	5.2
71.59106	2.0
71.59460	2.5
78.91984	2.2
79.05491	96.2
81.03410	9.4
81.07055	58.0
83.04979	31.9
83.08599	14.8
85.06554	2.7
90.28002	2.2
91.05478	52.3
93.07040	61.2
95.01309	2.7
95.04978	17.5
95.08603	30.2
97.06535	9.0
97.10168	14.0
99.08125	2.1
105.07028	51.8
107.04948	27.6
107.08588	73.2
107.31332	2.0
108.08940	2.4
109.06520	8.8
109.10153	34.9
111.08079	5.2
115.05527	2.9
117.07024	15.0
119.08585	31.0
121.06528	6.9
121.10124	29.6
123.08084	6.9
123.11726	8.0
125.09618	18.9
129.06961	4.3
131.08551	20.3
133.10129	37.2
135.08052	9.8
135.11702	8.3
137.09602	6.3
142.07811	2.5
143.08644	4.1
143.94037	1.9
145.10115	19.4
147.08115	2.9
147.11661	18.6
149.09618	55.0
149.13258	5.0
151.07439	1.9
151.11220	4.0
153.09142	3.0
153.12744	2.5
155.08617	2.9
157.10130	4.8
159.11717	15.0
161.09645	2.7
161.13283	9.1
163.11157	4.1
163.14868	6.2
169.12273	4.5
171.10262	2.9
171.11731	5.1
173.09677	2.5
173.11745	6.7
173.13287	7.1
175.11140	2.7
177.12756	4.5
179.14383	5.6
183.11728	3.5
185.13283	2.3
187.11195	4.0
187.13339	4.3
187.14859	3.7
189.11255	8.1
191.14349	4.3
197.13255	3.4
201.12817	2.3
209.15405	6.6
229.19545	7.8
233.15555	2.2
239.17984	4.8
247.20618	3.7
257.19019	12.2
275.20059	60.1
276.20502	2.3
300.20102	3.3
314.19864	11.8
314.70111	6.5
315.20078	5.7
328.19559	100.0
328.69720	51.5
329.19656	28.7
331.21182	3.6
337.20193	4.7
347.20901	6.2
348.70877	12.0
349.23849	70.6
349.71121	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	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03946	9.5
55.01875	10.3
55.05512	48.2
57.03436	21.6
57.07068	2.2
59.05008	2.3
65.03931	3.8
67.05507	57.2
67.20023	1.4
67.20392	1.4
69.03422	5.7
69.07070	21.4
69.48611	5.7
69.49036	9.2
71.04986	5.4
75.08408	1.5
79.05497	100.0
80.05830	2.0
81.03403	5.2
81.07059	50.3
83.04982	33.1
83.08619	14.0
85.06521	3.5
87.04488	2.0
91.05486	48.0
91.07434	1.5
93.07048	73.6
95.01333	2.5
95.04980	17.7
95.08610	27.3
97.02883	2.0
97.06535	7.1
97.10191	14.1
105.07039	42.4
107.04958	34.2
107.08600	67.4
109.06514	6.4
109.10155	26.6
110.10603	1.6
111.08075	7.3
115.05447	3.0
117.07021	15.7
119.08593	37.3
121.06494	5.0
121.10135	21.9
123.08058	7.0
123.11721	4.4
125.09631	25.7
129.07010	4.1
131.08577	18.9
133.06462	1.9
133.10143	32.0
135.08061	11.0
135.11703	8.2
137.05991	2.6
137.09584	2.8
143.08533	4.5
145.10132	17.6
147.08095	2.1
147.11702	15.5
149.09621	47.6
149.13275	2.9
153.09090	3.1
155.08521	2.1
157.10088	5.1
159.11728	11.5
161.09622	4.0
161.13268	7.6
163.11162	3.0
163.14870	5.4
165.09113	2.6
169.10118	5.0
169.12225	4.8
171.11699	3.0
173.11740	4.7
173.13261	7.2
175.11267	2.0
175.14731	2.2
177.05455	2.5
179.14278	3.4
183.11728	3.8
185.13304	2.8
187.11153	3.0
187.14886	2.5
189.11296	9.2
190.39629	1.6
197.13300	2.5
205.12263	2.2
209.15413	8.5
211.14940	2.0
225.11331	2.3
229.19518	4.2
239.18210	2.3
257.19049	12.1
275.20078	49.9
276.20453	4.0
303.19403	1.8
307.30164	1.7
331.19064	2.0
349.20020	5.0
349.23752	66.3
350.24146	6.0
355.77811	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85460	2.4
53.03943	10.0
55.01869	10.4
55.05260	3.6
55.05513	48.5
56.96562	15.2
57.03438	15.7
59.05001	4.6
65.03950	3.7
67.05167	4.7
67.05509	66.1
68.67242	2.5
69.03430	8.5
69.07079	23.4
71.04998	4.4
71.59315	3.4
79.05500	100.0
81.03419	7.2
81.07057	59.0
83.04990	30.6
83.08607	12.0
85.02906	3.1
85.06573	3.3
86.08895	2.5
91.05489	52.1
93.06468	5.3
93.07053	74.2
95.04979	13.6
95.08623	35.0
97.02913	3.1
97.06535	10.9
97.10169	13.7
102.99584	2.5
105.07030	46.0
107.04961	31.2
107.08602	67.3
109.06548	10.0
109.10172	27.9
111.04388	2.7
111.08080	10.4
112.68483	2.8
116.98671	2.6
117.07018	13.4
119.01923	3.1
119.08588	36.7
121.06519	6.6
121.10142	27.9
123.08071	9.3
123.11714	7.1
125.09645	22.5
127.07484	3.0
129.07024	3.6
131.08588	22.8
132.31761	2.7
133.10158	29.1
135.08037	11.0
135.11653	7.3
137.09665	3.9
141.30254	2.5
143.08556	5.4
145.10138	17.8
146.99646	3.0
147.11694	19.4
149.09642	49.5
149.13194	3.1
151.11162	4.6
153.09177	3.7
157.10078	5.4
159.11745	13.5
161.09644	3.9
161.13249	6.9
163.11182	6.2
163.14847	8.0
169.10109	3.9
169.12263	4.9
171.10307	3.3
171.11765	5.8
173.11748	6.6
173.13290	9.1
179.10651	3.0
179.14328	7.3
183.11714	4.1
187.14813	3.9
189.11232	12.1
197.13345	4.0
199.06238	2.8
209.15448	4.7
229.19604	5.3
233.15530	2.6
239.18004	5.4
243.09117	5.1
247.08681	3.8
247.20351	3.8
257.19070	9.9
261.10352	3.8
275.20096	48.1
276.20563	3.7
331.15781	10.1
331.18948	4.9
349.17059	12.9
349.23779	64.2
349.27557	9.4
350.24274	3.2
367.17877	5.4
372.18405	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	13.3
57.03442	3.0
57.07087	4.6
59.04992	3.5
67.05513	15.6
69.07068	16.8
69.38784	7.1
69.39204	16.2
71.01353	22.5
71.04992	12.4
79.05499	14.0
81.03399	3.5
81.07063	25.4
83.04965	4.8
83.08618	11.1
91.05483	9.6
93.07046	32.9
95.04949	2.8
95.08604	35.9
97.06519	5.9
97.10172	4.7
99.04462	20.5
101.83553	2.4
105.07033	23.7
107.08605	53.2
109.06551	6.4
109.10165	21.6
109.31301	3.0
111.08146	4.0
117.07044	5.4
119.08588	33.3
121.10146	34.0
123.08073	16.5
123.11707	4.7
125.09644	9.3
127.07600	7.3
129.07074	2.9
131.08568	10.5
133.10143	33.7
135.08092	3.8
135.11690	47.6
137.09621	2.9
143.08594	6.3
145.10138	17.7
147.11710	17.2
149.09674	4.8
149.13249	8.5
155.08611	4.4
156.09282	2.8
157.10074	3.5
159.08099	3.6
159.11694	15.9
161.09679	7.2
161.13298	15.4
169.10170	7.4
171.11720	11.5
173.13255	9.7
175.11186	4.2
175.14828	5.0
177.16330	3.4
179.14317	21.2
183.11746	6.2
185.13287	10.9
187.11183	3.2
187.14873	9.0
188.78981	2.8
189.12802	3.8
191.17947	31.6
197.13235	6.6
201.12610	6.1
201.16415	28.0
203.17976	48.1
205.36530	2.6
211.14859	10.4
213.16460	4.2
215.14384	3.8
217.19640	3.1
217.79681	2.6
227.17929	14.8
229.15842	7.9
243.21094	4.3
245.19014	8.8
253.19507	32.2
271.20569	100.0
272.20779	3.4
289.21606	41.7
320.19077	4.4
349.23608	11.7
349.27551	25.1
349.31717	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01868	7.5
55.05265	1.7
55.05508	25.2
57.03189	1.4
57.03434	20.5
57.07052	4.9
65.03922	1.8
65.22471	1.5
67.05503	41.5
69.03415	4.9
69.06731	1.5
69.07069	20.8
71.04983	4.5
71.59241	1.8
79.05491	46.0
81.03414	3.3
81.06583	2.0
81.07055	45.6
83.04987	10.5
83.08620	10.8
85.06529	4.0
91.05476	42.1
93.07039	56.5
95.04963	14.2
95.08049	2.1
95.08604	28.8
97.02894	7.5
97.06516	7.2
97.10157	5.7
105.07027	50.7
107.04945	15.6
107.08593	55.9
109.06514	15.6
109.10162	21.3
109.10843	2.8
111.04442	3.5
111.08057	6.2
113.05980	1.9
117.07026	13.5
119.08582	39.3
121.06518	12.6
121.10146	18.0
123.04402	1.7
123.08059	9.4
123.11662	4.9
125.08773	1.7
125.09631	25.4
129.06992	6.4
130.07715	1.7
131.08566	30.1
133.06509	2.4
133.10129	34.7
134.10358	1.3
135.08096	7.2
135.11681	18.0
137.06030	1.5
137.09608	8.1
142.07875	1.9
143.08542	8.5
145.06429	4.7
145.10120	41.7
145.11278	2.0
147.08032	9.7
147.11679	18.3
149.09627	13.4
149.13243	5.5
151.11163	6.2
153.12740	2.0
155.00989	2.4
155.08531	4.1
157.10103	8.7
159.08008	3.6
159.11690	16.1
161.09622	10.5
161.13246	6.4
163.03975	2.3
163.11142	9.1
165.09117	5.0
165.12700	2.0
169.10184	2.9
171.11662	6.8
173.09557	3.9
173.13243	9.6
175.11156	4.4
175.14798	3.8
177.05460	2.9
177.12749	3.6
179.10626	4.4
179.14322	2.6
183.11604	5.6
185.13216	4.6
187.11177	4.3
187.14827	4.6
189.09135	3.3
189.11189	3.6
189.12718	2.4
191.14253	3.3
193.10046	1.5
197.13287	6.1
199.14801	1.6
201.12735	4.4
201.16502	2.1
203.14366	1.7
205.12280	1.5
207.10115	6.4
207.13762	3.4
209.13411	1.5
215.14262	2.4
215.17944	3.2
219.13788	5.0
219.17435	4.1
225.11194	5.4
225.16339	1.7
229.15869	1.6
229.19534	4.2
239.17960	11.4
243.13689	1.4
247.20526	4.1
257.19006	32.0
258.19348	2.0
267.17355	2.1
275.20062	100.0
276.20483	7.9
285.18503	3.6
287.27603	2.2
289.17709	2.5
293.21198	7.0
295.16913	2.3
313.17932	3.6
331.18921	4.9
331.22556	2.7
333.14465	2.4
349.19852	15.4
349.23706	65.4
349.27390	2.9
349.31497	5.6
350.23959	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64207	2.1
51.76981	1.9
53.03937	3.6
55.01870	8.3
55.05516	29.4
56.53594	1.9
56.96561	2.6
57.03441	24.0
57.07072	2.5
59.04975	3.3
65.03963	3.9
67.05167	3.5
67.05507	49.4
69.03426	10.3
69.07069	21.4
70.68558	2.0
71.04997	4.2
71.59033	4.2
79.05492	51.2
81.03430	3.2
81.07063	58.1
83.04988	14.6
83.08644	10.2
84.69723	1.8
85.06543	5.2
86.85846	2.2
91.05486	49.9
93.07050	65.3
93.07635	4.4
95.04965	12.9
95.08609	39.7
97.02902	11.9
97.06506	10.6
97.10162	5.1
99.08123	2.1
105.07033	57.4
106.07375	4.2
107.04969	18.7
107.08601	69.5
109.06517	20.5
109.10166	21.7
111.04427	4.0
111.08090	8.6
115.05452	2.0
115.43958	1.9
117.07037	15.1
119.07800	4.2
119.08588	58.4
121.06516	16.5
121.10142	22.9
123.04425	2.4
123.08052	15.6
123.11735	6.9
125.06003	2.8
125.09632	60.5
126.09985	4.0
127.73216	2.6
129.07042	5.3
130.07822	2.4
131.08575	33.6
133.06503	4.1
133.10126	46.9
135.04503	2.3
135.08041	10.1
135.11705	26.7
137.05956	2.7
137.09644	6.0
142.07727	2.1
143.08582	10.3
145.06471	3.3
145.10135	41.2
147.08037	15.2
147.11665	19.4
149.09647	10.6
149.13261	7.0
151.07620	2.6
151.11208	8.9
155.08572	5.2
156.09401	3.9
157.10161	9.9
159.08049	5.7
159.11696	20.6
161.09628	13.3
161.13269	5.2
163.03897	2.2
163.11218	8.3
165.09076	11.9
169.10104	6.1
171.11710	8.4
173.09659	5.7
173.13283	9.4
175.11230	5.4
175.14857	3.4
177.12801	5.3
179.10704	8.0
179.14282	3.7
183.11699	10.0
185.09602	2.7
185.13327	4.2
187.11201	4.6
187.14856	3.7
189.09109	6.0
189.11174	3.8
189.12834	2.6
191.14392	2.3
197.13350	3.7
201.12788	2.9
207.10167	12.7
207.13928	2.7
219.13838	6.0
219.17470	6.4
225.11128	18.4
229.19501	4.4
237.14670	2.5
239.17958	10.8
247.20610	4.7
257.19016	28.5
275.20068	100.0
276.20374	5.1
285.18536	4.4
287.27832	3.7
289.17926	5.3
293.21115	9.4
295.16971	3.2
300.56863	2.3
303.19360	3.8
313.17987	5.1
331.18948	9.8
331.22644	5.4
333.14795	2.8
349.19870	26.5
349.23801	71.1
349.31436	6.3
350.12442	2.5
350.24026	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.01864	5.9
55.05511	17.6
56.96540	2.3
57.03436	29.1
57.07055	4.1
62.66993	2.1
65.03903	2.4
66.85120	2.4
67.05504	32.8
69.03412	4.3
69.07074	17.6
70.06580	3.0
71.17670	4.2
71.87690	2.3
79.05494	30.8
81.03414	3.3
81.07058	42.7
83.04968	7.3
83.08606	7.3
85.06549	14.5
91.05479	44.0
93.07041	39.1
95.04963	10.3
95.08598	33.9
97.02913	2.3
97.06502	7.5
97.10145	2.9
99.04435	6.9
99.08067	3.5
105.07022	43.6
107.04945	6.6
107.08588	32.7
109.06504	15.8
109.10162	22.0
111.08083	5.7
113.06012	2.5
117.07018	18.3
119.04952	3.5
119.07800	3.0
119.08578	38.3
121.06481	6.1
121.10143	23.9
123.08075	10.1
123.11707	3.6
124.55386	2.4
125.05972	5.9
125.09657	14.3
129.06995	6.2
130.07806	2.8
131.07642	3.5
131.08553	23.6
133.10118	30.7
134.10434	2.5
135.08061	6.8
135.11676	11.5
137.09656	6.5
143.08563	8.8
144.09457	2.3
145.06590	3.0
145.10123	24.6
147.04399	12.6
147.08084	3.5
147.11700	13.8
149.09647	4.5
149.13269	3.6
151.11179	3.4
155.08569	2.9
157.10153	5.5
159.08095	3.2
159.11661	14.4
161.09651	6.4
161.13232	7.1
163.11147	3.9
165.09108	5.8
169.10185	2.4
171.11790	6.3
173.13257	8.3
174.12787	7.4
175.14813	6.1
179.10570	4.6
179.14439	2.6
183.11642	2.3
185.13243	9.4
189.12732	3.1
189.16374	5.4
191.17934	6.9
197.13089	3.5
201.16408	7.7
203.14307	8.6
205.15941	3.0
219.17441	100.0
221.15546	3.5
222.12903	3.7
239.18045	2.3
257.18954	5.8
267.17166	3.7
271.16821	4.1
275.20074	24.6
287.30426	3.2
291.15851	3.3
295.16772	3.1
313.17993	6.6
321.19785	3.5
331.18872	6.9
331.22556	3.3
348.77805	3.3
349.19931	10.5
349.23746	32.5
349.27283	3.0
349.33859	12.8
350.24573	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01863	4.5
55.05515	14.5
56.20489	1.1
56.96566	2.9
57.03188	1.3
57.03440	15.9
57.07063	2.2
59.05004	1.8
65.03929	1.9
65.96127	1.1
67.05171	2.4
67.05505	30.6
69.03425	3.4
69.07066	20.0
69.21828	1.1
69.79327	6.9
71.04971	2.0
79.05062	2.2
79.05492	27.8
81.03388	2.7
81.07056	36.7
83.04980	9.3
83.08618	6.8
85.06528	1.7
86.09206	1.1
88.65534	1.1
89.49129	1.1
91.05483	23.2
93.06473	2.1
93.07043	34.0
95.04971	12.8
95.08047	2.2
95.08605	27.4
96.34304	1.1
97.02893	2.5
97.06499	6.7
97.10182	3.3
103.05440	2.0
105.07026	31.7
107.04961	9.5
107.08588	24.7
109.06507	13.8
109.10159	16.4
110.10507	1.1
111.08075	3.5
117.07023	9.9
119.08573	29.2
121.06493	15.9
121.10138	16.3
123.04467	1.3
123.08068	9.7
123.11706	5.1
125.09634	11.4
129.06995	4.2
131.08571	17.3
133.06483	4.1
133.10126	27.2
135.08058	6.0
135.11711	7.2
137.09642	5.9
141.07016	1.2
142.07742	1.9
143.08545	4.6
145.06448	2.5
145.10120	18.3
147.08052	6.9
147.11688	12.8
149.09610	8.1
149.13235	5.4
151.07535	1.8
151.11218	7.8
155.01070	1.5
155.08527	2.4
157.10132	5.3
159.08070	2.6
159.11662	11.9
161.09651	5.4
161.13249	6.2
163.11194	7.5
163.14818	2.2
165.09108	3.9
169.10103	4.3
171.11673	4.7
173.09637	5.2
173.13237	5.9
175.11160	3.3
175.14760	1.7
177.12767	3.0
179.10759	3.7
179.14349	2.7
180.62714	1.4
183.11623	3.5
185.13237	1.3
187.04071	1.2
187.11182	3.1
187.14832	1.6
189.12726	2.2
191.10597	1.5
191.14349	2.6
197.13263	3.1
199.14844	1.6
201.12785	4.0
201.16425	2.6
201.86160	1.2
205.15863	2.1
207.10123	2.2
207.14009	2.4
213.16440	1.6
215.14366	1.5
215.17976	2.7
219.13802	3.3
225.11241	3.3
229.19504	3.3
233.15364	1.6
239.17976	5.4
246.43053	1.3
247.20590	3.9
257.18979	16.9
267.17493	2.1
271.16876	2.2
275.20059	100.0
276.20407	4.8
285.18512	2.2
289.17926	1.6
293.21188	10.3
295.17047	1.4
313.18021	5.2
331.18921	7.1
349.16873	3.4
349.20139	5.0
349.23746	56.3
349.27380	2.7
350.23959	2.9
367.17841	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01871	14.6
55.05264	4.2
55.05510	55.7
57.03436	18.6
59.59446	2.0
65.03941	3.9
67.05502	61.5
69.03419	4.6
69.07060	24.1
71.05008	5.2
71.59106	2.0
71.59460	2.5
78.91984	2.2
79.05491	96.2
81.03410	9.4
81.07055	58.0
83.04979	31.9
83.08599	14.8
85.06554	2.7
90.28002	2.2
91.05478	52.3
93.07040	61.2
95.01309	2.7
95.04978	17.5
95.08603	30.2
97.06535	9.0
97.10168	14.0
99.08125	2.1
105.07028	51.8
107.04948	27.6
107.08588	73.2
107.31332	2.0
108.08940	2.4
109.06520	8.8
109.10153	34.9
111.08079	5.2
115.05527	2.9
117.07024	15.0
119.08585	31.0
121.06528	6.9
121.10124	29.6
123.08084	6.9
123.11726	8.0
125.09618	18.9
129.06961	4.3
131.08551	20.3
133.10129	37.2
135.08052	9.8
135.11702	8.3
137.09602	6.3
142.07811	2.5
143.08644	4.1
143.94037	1.9
145.10115	19.4
147.08115	2.9
147.11661	18.6
149.09618	55.0
149.13258	5.0
151.07439	1.9
151.11220	4.0
153.09142	3.0
153.12744	2.5
155.08617	2.9
157.10130	4.8
159.11717	15.0
161.09645	2.7
161.13283	9.1
163.11157	4.1
163.14868	6.2
169.12273	4.5
171.10262	2.9
171.11731	5.1
173.09677	2.5
173.11745	6.7
173.13287	7.1
175.11140	2.7
177.12756	4.5
179.14383	5.6
183.11728	3.5
185.13283	2.3
187.11195	4.0
187.13339	4.3
187.14859	3.7
189.11255	8.1
191.14349	4.3
197.13255	3.4
201.12817	2.3
209.15405	6.6
229.19545	7.8
233.15555	2.2
239.17984	4.8
247.20618	3.7
257.19019	12.2
275.20059	60.1
276.20502	2.3
300.20102	3.3
314.19864	11.8
314.70111	6.5
315.20078	5.7
328.19559	100.0
328.69720	51.5
329.19656	28.7
331.21182	3.6
337.20193	4.7
347.20901	6.2
348.70877	12.0
349.23849	70.6
349.71121	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	21.2
55.01875	13.7
55.05514	30.6
57.03435	18.1
57.07059	3.2
65.03927	4.0
67.05505	77.8
69.03415	4.0
69.07069	64.9
70.51408	5.9
71.04981	4.3
74.73859	2.1
77.22931	2.4
79.05062	4.6
79.05492	65.5
81.03416	33.6
81.07053	100.0
83.05002	16.3
83.08646	12.3
85.02950	2.7
85.06559	4.0
88.06355	2.7
91.05481	73.4
93.07048	66.8
95.01335	22.7
95.04955	29.3
95.08606	60.7
97.02897	4.7
97.06522	21.3
97.10171	8.1
99.08128	3.2
101.36842	2.2
105.07025	94.8
106.07362	2.4
107.04956	49.7
107.08598	32.9
109.06528	11.8
109.10154	17.7
109.78931	2.2
111.08096	6.3
115.05416	2.9
117.06990	25.1
119.04958	3.4
119.08581	55.7
121.06489	10.4
121.10147	15.8
123.04428	3.7
123.08101	17.2
123.11688	4.8
125.05935	2.7
125.09617	22.3
129.07008	4.3
131.08575	35.3
133.03465	4.8
133.10143	59.7
135.08025	8.9
135.11673	22.5
137.09633	6.0
141.07037	6.0
143.08528	5.4
145.06487	7.4
145.10146	27.8
147.04428	11.6
147.08014	3.5
147.11699	26.5
149.09615	7.7
149.13293	13.8
150.13695	2.4
151.11235	3.8
157.10092	6.6
159.11678	18.8
161.09656	5.1
161.13300	5.8
163.11140	6.5
163.14900	3.9
165.09091	6.5
169.10124	4.8
171.11719	7.3
173.13261	7.4
177.12759	8.9
179.10747	3.6
179.14297	29.9
183.11688	7.5
187.11189	8.1
187.14758	2.9
189.09102	2.8
195.13844	3.4
197.13307	4.1
201.65836	2.5
205.12219	2.9
207.10193	4.2
207.14067	2.4
225.11177	5.2
229.19525	3.7
239.17921	3.9
241.14249	2.6
247.20528	5.1
255.17818	2.3
257.18967	9.6
269.14868	2.7
275.20059	83.8
276.20459	5.3
293.21136	3.6
298.66904	2.4
301.20276	3.7
349.20395	3.2
349.23730	76.5
349.27176	3.4
349.33694	4.9
350.17462	5.0
350.24042	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01874	6.4
55.05505	15.5
56.96551	3.6
57.03434	15.6
57.07062	3.8
59.04981	1.3
63.17498	1.3
65.03928	1.8
67.05500	36.2
69.03429	4.6
69.06714	2.1
69.07061	21.8
70.50053	4.6
71.04995	2.7
79.05492	23.2
81.03391	2.0
81.07055	40.7
83.04982	8.9
83.08605	7.4
85.06538	2.8
91.05477	27.2
93.07040	35.2
95.04973	10.3
95.08601	27.9
97.02883	1.7
97.06518	7.3
97.10172	4.0
98.98459	1.5
105.07023	35.0
107.04956	8.9
107.08591	29.7
109.06508	13.5
109.10158	16.6
111.08073	3.0
117.07023	10.5
119.08587	27.0
121.06482	13.6
121.10134	13.8
123.08064	10.2
123.11714	4.3
125.09655	10.2
129.07010	2.7
130.07744	1.5
131.08551	21.4
133.06519	4.0
133.10129	24.3
134.10489	1.4
135.08023	8.2
135.11678	8.6
137.09622	7.0
143.08549	5.7
145.06474	2.6
145.10118	17.9
147.08099	6.3
147.11682	17.4
149.09619	8.1
149.13260	5.1
151.07495	1.3
151.11127	6.5
152.78082	1.1
155.08562	3.5
157.10110	5.7
159.08011	3.5
159.11682	13.6
161.09636	5.8
161.13266	5.0
163.11166	7.9
163.14801	1.6
165.09140	2.6
165.12833	1.4
169.10104	3.2
171.11757	5.5
173.09622	3.5
173.13266	7.8
175.11197	3.9
175.14882	2.7
177.12750	4.2
177.16306	1.3
179.10666	3.7
179.14326	2.3
183.11700	4.3
185.13326	2.6
187.11279	3.8
187.14832	3.5
189.09126	2.3
189.12801	2.3
191.10582	1.6
191.14241	3.6
199.14845	3.0
201.12808	2.5
201.16306	2.0
207.10063	2.6
207.13895	2.8
211.14920	2.4
215.14240	2.2
215.17958	3.1
219.13739	3.8
223.05481	1.4
225.11183	3.2
225.77338	1.4
229.19600	3.1
233.15376	1.8
233.19061	1.6
239.18054	3.0
247.20633	5.3
257.18979	21.6
267.17453	1.5
271.16968	2.3
275.20050	100.0
276.20428	6.3
285.18414	2.1
293.21164	9.3
303.19611	2.9
313.17932	5.4
331.19067	6.8
333.73755	1.5
349.16986	2.9
349.20361	2.7
349.23737	52.7
349.27353	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01869	2.4
55.05513	8.6
57.03440	32.7
58.83671	1.3
65.03949	2.4
67.05168	1.9
67.05506	28.0
69.03433	2.2
69.07080	8.0
71.04987	4.3
71.31609	2.4
72.67701	1.1
78.96380	1.1
79.05493	30.5
81.03401	2.9
81.07064	29.1
83.04987	3.7
83.08611	5.1
85.06549	7.9
85.54573	1.2
91.05485	41.2
91.43255	1.2
93.06467	2.3
93.07045	36.5
94.07363	1.7
95.04964	7.3
95.08051	1.6
95.08615	21.5
97.02898	2.6
97.06531	3.4
99.04473	6.4
105.07031	28.7
107.04951	5.2
107.08600	24.1
109.06509	12.4
109.10167	12.2
111.08087	3.6
117.07028	12.5
119.07802	1.9
119.08591	26.9
121.06524	3.7
121.10155	10.8
122.10475	1.2
123.08056	6.1
123.11723	1.9
125.09622	10.7
129.07016	3.2
131.08560	18.9
133.10135	17.3
135.08098	4.4
135.11688	8.6
135.44801	1.7
136.08318	1.5
137.09656	2.4
143.08551	4.6
145.10152	13.9
146.10405	1.3
147.08058	2.6
147.11711	6.0
149.09634	3.4
149.13324	1.8
157.10080	3.5
159.11707	7.7
161.09653	1.4
161.13321	2.6
163.11183	3.0
165.09128	1.8
171.11797	3.0
173.13289	4.5
175.14908	2.1
179.10683	1.6
179.14322	3.9
183.11670	2.3
185.13293	5.5
197.08064	1.6
201.16426	6.5
203.14343	3.8
207.10197	1.4
209.15341	1.9
219.17450	100.0
220.17842	5.6
225.11160	1.8
239.17862	3.1
257.18964	4.5
275.20111	17.4
349.23822	31.6
349.27615	2.9
350.24619	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01876	1.1
55.05516	5.6
57.03421	1.2
63.67971	0.9
65.03944	1.4
66.88727	0.8
67.05503	7.9
69.03445	4.3
69.07054	5.7
71.04984	2.7
71.08620	2.9
71.58512	1.2
79.05503	5.0
81.03400	2.2
81.07063	12.6
83.04974	3.2
85.02901	2.9
85.06567	1.0
91.05475	16.3
93.07024	7.2
95.04962	2.1
95.08612	5.8
97.02900	6.3
97.06508	1.6
97.10152	0.9
98.97589	2.5
99.08095	2.7
105.07041	10.8
107.04959	1.6
107.08595	11.3
109.02870	1.9
109.06516	4.3
109.10158	11.2
111.04420	1.9
111.08061	3.2
117.06982	1.3
119.04947	24.6
119.08586	18.2
120.08099	1.2
120.08927	0.8
121.02861	4.6
121.06503	2.0
121.08405	0.8
121.10133	4.6
123.08041	4.8
123.11697	3.4
125.02344	1.8
125.09633	41.9
127.03903	1.1
131.08575	2.1
133.10127	21.1
135.08022	1.7
135.11685	2.6
136.06299	0.9
137.02345	1.7
137.09584	2.2
141.06903	0.9
141.12750	15.1
143.08553	2.9
145.10135	2.6
147.04413	100.0
147.08064	4.4
147.11670	1.3
148.04742	5.2
149.13168	0.9
151.07544	1.9
151.11165	8.6
155.03386	1.4
157.10074	1.8
158.10573	1.0
159.11659	2.1
161.09605	5.2
165.05492	1.6
165.09108	6.5
166.99232	0.8
167.03305	1.9
169.12263	15.4
170.03380	1.8
171.11719	1.5
173.13248	1.0
175.11052	1.1
177.05315	1.5
177.09129	1.2
179.10681	3.9
183.11679	0.9
185.04446	4.3
185.09641	1.1
185.13327	1.4
187.13332	6.7
187.14833	1.4
189.09145	4.7
203.05524	1.3
203.10675	1.0
207.10193	8.1
211.86476	1.0
219.01807	1.4
225.11176	8.5
237.02867	2.2
239.08583	17.3
239.58554	2.0
253.34499	0.9
259.59787	1.7
267.17233	1.4
271.16861	1.2
279.03909	3.7
285.18539	3.8
287.09650	4.1
288.10419	2.1
289.03329	1.2
303.19659	1.4
313.18015	1.9
331.18985	3.3
349.13895	8.1
349.20157	3.8
349.64301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2005
Annotation	Tricalysiolide B
Peak:m/z	Relative Intensity
53.42256	1.0
54.73819	1.1
55.01861	1.4
55.05500	4.7
57.07089	1.5
67.05508	8.3
69.03429	12.0
69.07079	6.4
70.99683	2.4
71.00024	1.7
71.04975	1.5
79.05496	9.1
81.03407	2.4
81.07053	22.1
83.04983	3.0
83.08620	2.2
84.04517	1.5
85.02901	2.6
85.06524	2.0
91.05476	13.5
92.03352	1.2
93.07035	13.5
95.04959	4.5
95.08602	16.4
97.02881	6.8
97.06541	2.5
99.04478	1.2
103.03955	1.2
105.07030	16.7
107.04986	1.7
107.08583	18.0
109.06503	5.1
109.10165	9.0
111.04424	6.8
111.08099	2.8
113.05978	2.1
117.07009	4.4
119.08573	18.6
121.06499	4.0
121.10146	9.6
123.08098	3.9
123.11703	3.4
125.05962	1.7
125.09634	12.9
128.06161	1.8
129.06998	2.6
131.08583	6.5
133.06493	2.0
133.10123	13.7
135.08046	4.1
135.11726	4.5
137.05862	1.3
137.09605	9.3
137.13254	4.4
139.07539	2.2
141.06984	1.6
143.08591	6.1
145.10153	7.9
147.08011	5.4
147.11684	6.0
149.09647	2.2
149.13257	3.0
151.07497	1.3
151.11211	2.2
153.09113	1.2
155.08618	2.8
157.10136	5.1
159.08154	2.6
159.11722	6.1
161.09592	6.1
161.13251	2.7
163.07542	1.5
163.11186	2.3
165.09085	5.7
165.12802	2.6
169.10097	2.5
171.11682	4.6
173.13258	3.1
175.11203	1.4
175.14806	1.9
177.05496	3.9
177.12772	3.5
179.10677	2.7
183.11621	2.6
185.13283	2.2
187.11237	2.2
187.14877	2.8
189.09120	4.6
191.10764	1.5
193.10316	1.1
195.13821	7.8
197.13229	2.3
199.11220	1.5
199.14955	2.0
201.12694	2.2
203.14313	1.2
207.10187	4.5
209.13240	1.7
211.11180	1.5
211.14778	2.6
215.10756	1.5
215.14514	1.6
225.11197	3.6
227.14374	1.8
229.12215	1.6
229.15869	1.3
239.17957	1.5
243.13931	1.8
257.19012	2.5
263.16440	2.7
267.13959	1.2
267.17227	2.8
271.16885	1.2
275.20154	1.5
285.18451	6.2
288.65948	1.3
289.18100	3.6
291.15399	1.4
295.17044	2.3
303.19623	4.3
313.17944	5.2
331.18854	6.7
349.16470	7.0
349.19897	100.0
349.23505	5.6
350.11520	1.4
350.20099	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.81629	0.9
55.01870	2.3
55.05515	5.2
56.96574	0.9
57.03430	1.4
59.05000	1.0
65.03932	1.5
66.36896	0.9
66.37260	0.9
67.05505	9.1
69.03428	6.5
69.07069	4.0
69.41502	0.9
71.04961	1.2
71.59499	1.2
71.59885	1.4
74.43481	0.9
77.06528	1.0
79.05491	7.6
81.07060	12.5
83.04965	1.5
83.08604	2.9
85.02915	1.0
91.05485	13.0
93.07047	16.2
95.04962	4.7
95.08614	12.9
97.02892	12.2
97.06539	1.9
97.10159	2.3
105.07035	16.2
107.04945	2.0
107.08595	17.8
109.06523	8.1
109.10168	5.8
111.04449	4.2
111.08075	4.0
113.05990	3.0
117.06998	2.4
119.08586	34.7
119.17009	0.9
121.06492	3.2
121.10149	7.5
123.08085	10.2
123.11704	3.1
124.79733	0.9
125.09631	100.0
125.42210	1.0
126.09955	3.2
128.06239	1.6
131.08545	4.0
133.06445	1.4
133.10136	22.7
135.08102	2.4
135.11688	2.9
137.05966	1.5
137.09608	5.2
139.03886	6.5
143.08565	3.1
145.06396	1.6
145.10120	6.8
147.08051	14.0
147.11722	3.0
148.08762	1.0
149.09668	2.0
151.07497	1.9
151.11165	2.9
155.08502	1.2
157.10165	2.8
159.08144	1.4
159.11708	2.6
161.09631	14.5
161.13283	2.1
163.07552	1.4
163.11157	2.4
165.09120	15.9
171.08063	0.9
171.11670	2.2
173.09599	1.6
173.13338	1.7
175.11234	1.4
179.10690	11.6
183.11668	1.3
185.13190	1.9
187.15065	1.3
189.09113	12.6
199.14993	1.0
207.10179	18.1
211.14755	1.4
219.13727	1.5
219.17453	1.4
225.11223	25.7
257.18964	1.4
267.17422	1.3
271.17001	2.0
275.20010	2.0
285.18530	2.3
289.17899	1.4
303.19406	1.1
313.18021	3.8
331.19055	5.8
349.20041	12.7
349.23746	4.5
349.27325	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
54.20493	1.7
55.01863	3.2
55.05494	9.4
56.96558	3.3
65.03923	2.7
67.01843	3.1
67.05495	16.1
68.99787	16.7
69.03428	12.4
69.07063	11.4
70.06583	5.3
71.58267	2.0
72.08147	2.5
79.05487	15.4
81.03407	9.2
81.07047	29.2
83.04961	6.0
83.08623	5.7
84.04498	8.9
84.08149	2.6
85.02888	8.3
86.09694	13.6
91.05476	23.3
93.07040	29.7
95.04945	10.3
95.08600	20.6
97.02905	10.9
97.06505	5.4
97.10091	2.2
98.97618	2.6
103.03960	3.1
105.07029	35.0
107.04958	11.8
107.08591	32.9
109.02852	4.4
109.06493	10.1
109.10146	16.5
110.03645	8.6
111.04442	10.8
111.08081	8.0
113.06030	4.2
116.98634	2.3
117.07025	6.4
119.04931	5.4
119.07789	3.4
119.08581	39.1
120.08079	7.4
120.08863	2.1
121.06505	8.0
121.10106	13.1
123.08072	11.3
123.11732	8.1
124.12016	3.9
125.05954	2.3
125.09632	31.1
127.03889	5.7
131.08580	7.5
133.06496	4.3
133.10126	26.8
134.10374	2.5
135.08026	6.5
135.11668	7.7
137.02344	41.6
137.03401	2.9
137.05942	3.1
137.09621	6.4
138.02696	2.6
143.08543	8.2
145.10127	16.1
147.04413	23.5
147.08005	13.8
147.11681	6.0
149.05960	3.6
149.09676	3.9
151.07607	3.5
151.11200	4.9
152.11494	3.0
153.01805	13.6
153.09122	3.6
155.08546	5.1
157.10138	7.3
157.13351	3.7
159.11696	7.7
161.09637	14.9
161.13225	2.8
163.03906	3.4
163.07452	1.9
163.11200	3.7
165.09140	13.6
166.08592	3.9
169.04956	16.4
169.10121	5.8
169.12173	3.0
171.11674	6.5
173.09612	3.8
173.13229	4.9
175.11223	2.3
175.14911	3.1
179.10672	8.7
181.01320	40.0
183.11691	4.1
185.13086	7.2
187.14832	3.4
189.09077	7.5
193.05074	2.5
197.13182	4.6
201.08994	2.7
203.14243	5.0
207.06456	2.0
207.10184	12.0
209.13217	2.6
211.14851	2.5
215.10756	2.3
215.14311	2.3
217.05118	2.6
217.13484	9.6
221.11777	2.1
225.11249	9.0
225.16400	5.2
227.03398	3.7
227.14322	2.8
229.12198	4.5
233.15318	2.4
234.99062	3.3
237.12497	3.4
239.17960	3.9
243.08856	3.4
243.13753	3.3
243.17462	4.4
245.04367	2.6
257.18942	2.4
267.17502	4.4
271.16904	4.4
273.03961	19.1
285.18420	13.0
289.03311	3.6
289.17978	5.9
295.16751	3.8
303.19556	11.6
313.17932	9.7
324.11478	14.3
324.61432	3.5
331.18988	11.9
349.05609	5.2
349.12601	100.0
349.20053	10.6
350.13010	11.2
368.44064	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2009
Annotation	18-oxo-Resolvin E1
Peak:m/z	Relative Intensity
53.03934	4.9
55.01867	5.1
55.05518	11.7
56.96563	14.0
57.03431	4.0
57.07077	2.8
57.68839	2.2
65.03951	2.5
67.05505	30.5
69.03428	5.2
69.07057	16.5
69.97479	16.0
70.15466	2.4
71.04989	2.6
79.05486	17.4
81.03416	3.2
81.07050	32.0
83.04990	7.7
83.08624	7.9
84.18351	2.4
85.05767	2.3
85.06548	7.0
91.05486	23.5
93.07040	26.3
95.04964	9.4
95.08607	49.5
97.02911	5.0
97.06548	11.2
97.10216	4.9
98.20774	2.8
99.08089	4.7
105.07029	33.3
107.04939	6.3
107.08588	48.3
109.06537	12.7
109.10148	40.7
109.10824	3.5
111.04420	4.1
111.08069	5.1
117.07038	6.1
119.08580	95.9
121.06512	6.8
121.10159	31.7
123.04391	6.2
123.08089	13.7
123.11720	11.6
125.02402	4.9
125.09638	22.2
128.98645	3.5
129.06952	4.2
131.08583	13.2
133.10124	34.0
135.08032	10.2
135.11708	10.9
137.09610	68.3
137.92305	2.7
141.05453	6.2
143.08551	9.2
145.10117	25.5
147.04410	8.2
147.08064	8.2
147.11670	22.5
149.05972	4.9
149.09602	6.8
149.13295	8.1
151.03853	3.1
151.11172	19.7
155.08559	5.6
156.09387	3.0
157.10132	13.2
159.11729	19.5
160.04031	4.5
161.01288	2.9
161.09624	6.2
161.13248	15.9
163.07555	2.7
163.11185	5.9
163.14752	13.1
165.09164	6.5
169.05005	6.5
169.10168	8.2
171.03020	2.5
171.11703	9.8
173.09557	4.3
173.13283	11.3
175.07515	4.5
175.11238	6.6
175.14796	7.8
177.09213	3.9
177.16386	3.4
178.13530	3.5
179.10683	4.3
179.14302	3.2
182.10785	2.6
183.11731	7.9
185.09593	4.4
185.13237	11.1
187.11188	4.3
187.14874	6.7
189.09146	5.7
191.10638	2.7
197.09654	3.1
197.13254	5.4
199.11320	3.1
199.14784	6.0
201.09131	8.8
201.12679	3.7
201.16389	18.7
203.14372	3.3
205.08653	4.2
205.15887	3.6
207.10143	5.4
211.11276	3.3
213.16376	2.7
215.10767	6.8
215.18001	3.3
217.12117	3.6
225.11208	7.5
225.16302	5.8
229.12198	4.4
233.11786	2.8
236.52345	2.4
239.18005	6.7
243.10196	5.4
253.12357	3.3
253.15862	4.4
255.09015	5.0
257.11780	5.4
257.19067	5.7
259.13470	3.3
259.16794	3.7
267.17383	6.9
271.13535	3.5
271.16953	11.4
273.10220	5.1
273.14926	4.2
275.20004	7.0
285.15411	3.1
285.18423	15.3
287.16379	5.1
289.17828	2.8
295.16864	12.3
303.19574	7.5
313.17969	62.4
331.15918	6.2
331.19055	100.0
332.19400	5.1
349.16068	13.8
349.20135	43.8
349.23892	6.2
349.27344	3.6
367.18024	6.9
372.18674	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.201
Annotation	(10E)-17-Hydroxygutiesolbriolide
Peak:m/z	Relative Intensity
55.01868	1.9
55.05513	6.4
55.44507	1.0
56.96547	1.5
57.03429	1.3
65.03931	1.8
67.05502	9.4
69.03442	7.4
69.07069	7.3
70.21861	1.5
70.22269	2.9
71.05004	1.3
73.02890	1.3
79.05496	8.3
80.36928	1.0
81.07062	14.0
83.04971	3.6
83.08620	2.4
84.44769	1.0
85.02909	2.2
85.06538	2.5
85.76954	1.1
91.05479	12.9
93.07047	12.2
95.04966	5.0
95.08608	12.2
97.02897	13.0
97.06549	3.2
100.11256	1.3
105.07026	17.6
107.04983	2.8
107.08601	20.5
109.06522	8.5
109.10131	7.6
111.04429	4.9
111.08115	5.1
113.06026	5.3
114.05282	1.1
115.05443	1.2
117.07020	3.1
119.04966	1.4
119.08585	37.1
120.08126	1.6
121.06510	3.4
121.10141	10.4
123.04430	1.2
123.08066	9.0
123.11707	2.6
125.09634	100.0
126.09988	1.5
127.03928	1.5
129.06987	1.8
131.08592	3.9
133.06540	1.8
133.10138	21.0
135.08067	2.1
135.11707	3.4
137.05966	2.0
137.09610	4.1
139.03906	7.7
139.96512	1.1
142.07790	1.9
143.08586	6.3
145.06462	2.0
145.10141	6.4
146.07249	1.0
147.04442	4.4
147.08064	14.1
147.11693	2.5
148.08745	1.1
149.09641	2.6
149.13258	1.6
151.07565	1.7
151.11162	2.6
155.08475	1.4
156.09439	1.4
157.10156	4.6
159.08011	2.8
159.11720	3.1
161.09595	14.7
161.13284	1.3
163.11203	3.9
164.08429	1.0
165.06956	1.1
165.09122	17.9
169.10144	1.3
171.08003	1.2
171.11760	2.1
173.09595	2.1
173.13281	3.5
175.11192	2.5
177.05527	2.0
179.07083	1.3
179.10683	10.9
183.11797	2.2
185.09619	1.5
185.13239	1.8
187.11209	1.5
187.14819	1.6
189.09099	14.6
191.10712	1.6
197.13284	1.2
201.00745	1.7
201.12785	1.3
201.16377	1.3
203.10669	1.8
205.12294	1.1
207.10159	20.1
219.01781	1.2
225.11217	26.6
225.13345	1.8
229.12254	1.2
232.13579	1.2
243.17410	1.3
253.15891	1.3
257.19067	1.7
267.17444	2.2
271.16986	3.9
275.20044	1.4
285.18561	7.3
289.17911	3.2
295.16858	1.9
303.19608	4.1
310.14661	1.9
313.18030	6.4
331.19067	10.0
349.20114	19.9
349.24023	1.3
349.29355	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	349.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05506	3.4
57.03430	0.9
57.07067	0.9
59.04993	0.6
67.05502	5.1
69.03433	4.7
69.07055	2.4
71.59695	0.8
79.05500	6.1
81.07061	10.4
83.04980	3.0
83.08630	1.5
84.04542	0.6
85.02917	0.8
85.06539	1.0
90.04227	0.6
90.83489	0.6
91.05473	6.6
92.18321	0.7
93.07047	10.1
95.04957	2.4
95.08599	7.7
97.02905	8.8
97.06544	1.1
97.10162	1.0
102.99020	0.5
103.05472	1.0
105.07038	14.3
106.57878	0.6
107.04951	1.8
107.08595	14.5
109.06510	4.4
109.10158	4.1
111.04426	1.6
111.08082	3.5
113.06017	1.8
117.07040	1.6
119.04982	0.8
119.08587	30.7
121.06511	2.4
121.10135	7.3
123.08075	7.2
123.11712	2.4
125.09634	100.0
126.09959	2.0
128.06247	1.4
129.07021	1.3
131.08577	2.2
133.06519	1.3
133.10132	19.9
135.08037	1.3
135.11682	2.6
137.05981	0.7
137.09645	3.4
139.03905	1.2
143.08548	3.9
145.06573	0.7
145.10118	3.8
147.04358	0.6
147.08049	14.2
147.11674	1.0
149.13202	0.6
151.07568	1.0
151.11194	2.5
157.10147	1.8
159.11713	2.0
161.09625	12.7
163.07594	0.9
163.11226	2.1
165.09114	15.5
169.10109	0.9
171.08087	0.8
171.11731	1.0
173.11893	0.6
173.13300	0.9
174.12111	1.4
179.10695	10.9
183.11795	0.9
185.13333	0.8
187.11238	0.7
189.09108	9.2
196.14195	1.0
199.14839	1.0
207.10184	19.0
208.10533	0.7
225.09036	1.2
225.11232	22.9
226.11516	1.2
239.17950	1.0
257.19003	1.1
271.16901	1.5
275.19907	0.9
285.18542	1.7
289.18140	1.5
295.16809	1.3
303.19550	0.8
313.17892	1.8
331.19003	3.5
349.20010	5.6
349.23865	2.3
349.28247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2009
Annotation	Albopilosin I
Peak:m/z	Relative Intensity
51.10069	0.8
53.03953	1.2
55.01862	2.7
55.05508	5.7
57.03429	1.8
57.07095	0.8
59.05000	2.1
65.03947	1.6
67.05514	8.3
69.03433	6.8
69.07077	4.4
71.60341	0.9
71.60709	1.1
77.69582	0.7
79.05490	8.5
81.03421	1.4
81.07064	14.7
83.05006	4.7
83.08618	2.5
85.02936	1.5
85.03436	0.7
85.06537	2.6
87.96663	0.7
91.05489	12.3
93.07056	11.8
95.04958	4.3
95.08607	12.5
97.02902	9.9
97.06538	2.0
97.10172	2.2
99.04404	1.0
99.08110	1.0
103.05499	0.9
105.07035	20.1
107.04946	2.3
107.08598	19.5
109.02891	1.2
109.06522	7.5
109.10158	8.3
111.04424	6.7
111.08080	4.1
113.05995	4.6
117.07010	3.3
119.04933	1.3
119.08583	39.8
121.06536	4.3
121.10149	11.6
123.08077	8.4
123.11687	2.9
125.06024	1.7
125.09634	100.0
126.09962	1.4
128.06235	1.0
129.07001	2.0
131.08586	5.4
133.06505	2.3
133.10132	25.3
135.08070	2.6
135.11668	4.1
137.05978	1.5
137.09601	3.5
139.03893	9.0
139.07590	0.9
143.08546	5.3
145.06487	1.4
145.10126	8.6
146.07326	0.8
147.04433	2.6
147.08047	14.6
147.11688	4.7
149.09602	2.9
149.13225	0.9
151.07584	0.9
151.11189	3.1
153.05391	0.9
155.08676	1.0
156.09328	0.9
157.10129	4.3
158.48155	0.8
159.08034	2.3
159.11682	6.7
161.09637	12.5
161.13196	1.4
163.07524	1.6
163.11217	2.8
165.09111	15.6
167.10759	1.0
169.10097	0.8
171.08014	1.9
171.10426	0.8
171.11736	3.5
173.09624	2.3
173.11902	1.0
173.13287	2.7
174.12166	0.9
175.11197	1.9
175.14833	1.6
179.10687	14.0
183.11703	2.1
185.09680	1.2
185.13293	2.3
187.11206	1.7
187.14796	1.7
189.09122	11.6
190.49738	0.9
191.10670	1.1
191.14441	1.4
197.09647	1.0
197.13289	2.0
199.14847	1.5
201.16426	1.2
205.12254	0.8
207.10178	18.7
211.14838	1.9
213.16438	1.1
215.10747	1.8
215.63100	0.9
217.08633	0.9
217.12198	0.8
217.15858	0.9
225.11224	22.8
225.13379	1.6
227.14374	1.2
229.12131	1.4
239.17899	2.2
247.17001	1.0
257.19009	3.0
267.17514	1.0
271.17044	1.6
275.20212	3.2
279.12354	0.9
285.18365	5.3
289.18167	1.9
292.20840	0.9
295.16919	1.4
299.19788	1.2
303.19583	2.8
313.18033	6.1
331.15665	1.2
331.19040	6.6
331.22693	1.6
349.19965	28.6
349.23825	13.4
349.28455	1.5
350.20187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.201
Annotation	Neocaesalpin H
Peak:m/z	Relative Intensity
50.25269	0.8
55.05502	1.8
58.85118	0.8
59.15149	0.9
67.05506	2.1
69.03445	4.2
69.07066	1.3
71.35252	2.3
75.30817	0.9
79.05489	3.1
81.03435	0.9
81.07069	7.4
83.04973	1.5
84.14418	0.9
91.05488	7.4
93.07041	7.7
95.04955	1.1
95.08607	3.7
97.02908	7.6
105.07040	11.6
107.08592	11.0
109.06519	4.0
109.10143	2.0
111.04443	0.8
111.08070	3.6
113.06047	1.0
115.18100	0.9
117.07027	1.3
119.07800	1.4
119.08593	25.6
121.09361	1.1
121.10127	5.7
123.08103	6.4
125.09637	100.0
126.09973	1.7
131.08563	1.4
133.10135	17.6
135.08076	0.9
135.11717	1.8
137.09641	2.6
143.08568	2.3
145.10179	0.9
147.08064	12.8
151.11205	1.5
161.09625	11.2
163.11131	1.5
165.09142	14.2
179.10696	11.5
189.09146	9.6
207.10190	20.0
208.10594	0.9
225.11232	22.7
253.15837	1.0
262.58340	0.8
271.16879	1.5
285.18576	1.1
289.17969	2.0
303.19388	1.2
331.19153	4.4
349.20132	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2008
Annotation	Tricalysiolide B
Peak:m/z	Relative Intensity
53.03928	1.3
55.01863	1.9
55.05503	11.0
57.07077	1.6
57.61478	1.1
65.03928	6.3
67.05500	7.3
69.03424	6.2
69.07076	5.5
69.45848	1.0
71.24643	2.1
71.90437	1.0
73.06554	1.2
79.05487	6.0
81.07044	8.2
83.04974	3.7
83.08614	3.0
85.06525	3.4
91.05490	7.4
93.07034	9.8
95.04971	6.0
95.08603	19.6
97.02876	4.1
97.10146	7.1
99.08089	1.9
105.07036	12.6
107.04984	1.6
107.08590	14.9
109.06510	4.3
109.10140	6.0
111.04441	20.1
111.08098	1.8
113.05991	16.8
117.07011	3.2
119.08567	23.7
121.06506	2.6
121.10130	6.2
123.08057	4.2
124.02123	1.2
125.05988	3.3
125.09628	21.4
131.08539	6.3
133.06485	2.1
133.10124	15.8
135.08026	3.9
135.11671	6.1
137.06013	1.7
137.09621	1.5
139.03889	50.9
139.07521	1.7
141.01309	1.0
142.07761	2.3
143.08554	5.4
143.43869	1.2
145.06459	2.6
145.10115	8.5
146.07169	1.2
147.04427	3.3
147.08022	7.9
147.11688	3.4
149.05998	1.4
149.09575	2.7
149.13281	2.0
151.07520	1.3
151.11086	1.2
153.05432	5.5
155.08546	1.5
157.10106	7.2
159.08034	4.7
159.11671	5.4
161.09619	12.3
163.07562	2.8
163.11159	2.5
165.05542	1.4
165.09134	6.7
169.10100	2.9
171.11710	4.5
172.12550	1.2
173.09550	6.1
173.13231	2.7
175.07613	1.4
175.11128	3.0
175.14801	1.5
177.09114	3.0
179.07056	1.3
179.10687	4.4
180.25319	1.1
183.11798	2.4
185.09602	1.9
185.13287	2.8
187.07501	1.2
187.11180	3.1
189.09106	9.9
189.12723	1.6
191.10664	2.2
191.14310	1.9
196.12379	1.4
197.09547	1.2
197.13252	2.9
199.14859	1.3
201.09117	1.6
203.10680	4.3
205.08553	2.4
207.10136	8.1
209.13391	1.1
209.15433	2.5
211.11218	2.0
211.14789	1.5
215.10658	3.7
215.14232	1.8
217.12251	2.7
219.10176	2.6
221.11534	1.3
223.09669	1.8
225.11157	7.3
225.16321	2.7
229.12346	1.5
229.15924	1.6
233.11588	2.6
239.17918	2.7
243.13654	1.9
243.17496	2.3
247.13237	1.9
249.16431	1.5
253.16113	1.1
257.19058	1.9
261.11279	2.6
267.17401	4.8
271.16873	4.0
279.12457	2.4
285.15253	2.2
285.18475	16.5
289.18063	1.3
295.16913	4.9
303.19495	8.4
313.17969	18.0
331.19031	23.5
349.20071	100.0
350.20291	3.4
354.10007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
55.05504	1.9
57.03426	0.6
57.07087	0.5
59.04993	1.0
63.74226	0.5
65.94861	0.4
67.05508	3.5
68.04977	0.5
69.03432	5.9
69.07066	1.2
69.29232	5.6
70.65263	0.5
79.05495	4.7
81.07059	7.9
83.04986	1.9
83.08621	0.7
83.81491	0.5
84.04544	0.4
85.06536	1.1
91.04955	0.8
91.05482	7.6
93.07048	9.0
95.04966	1.7
95.08622	6.3
97.02897	10.3
97.06546	1.2
99.08105	0.6
105.03405	0.5
105.07038	14.4
107.04961	1.3
107.08600	12.7
109.06524	5.2
109.10168	2.2
111.04450	1.2
111.08090	3.8
113.06031	1.1
114.05550	1.5
117.03388	1.1
117.07021	1.4
119.08585	29.7
121.06514	2.0
121.10138	6.6
123.08088	6.4
123.11712	1.8
125.09634	100.0
126.09935	1.3
128.06215	0.6
129.06976	0.7
129.09161	0.6
131.08560	2.1
132.05693	0.6
133.06465	0.7
133.10135	19.3
135.08066	0.6
135.11690	2.0
137.09645	3.0
138.05472	0.9
143.08572	3.7
145.02846	3.8
145.10135	2.1
147.08057	13.0
147.11699	1.0
149.06007	0.7
151.07570	0.7
151.11224	2.3
156.06503	0.6
157.10135	0.7
159.11705	0.9
161.09624	10.7
162.09962	0.7
163.11189	1.7
165.09123	15.8
166.09581	0.6
169.10129	0.5
171.11665	0.8
173.13286	1.1
175.11237	0.8
177.05484	7.2
179.10695	10.9
185.09647	0.8
187.14790	0.6
189.09113	9.7
203.10623	0.7
207.10175	17.1
207.11729	0.6
225.11223	23.3
229.12332	0.6
244.22691	0.8
257.18893	0.5
271.17157	0.9
285.18491	0.9
289.17990	1.7
295.16870	0.6
313.17929	1.6
331.19012	3.5
349.11047	0.7
349.20096	2.0
349.23938	0.8
350.12360	2.2
350.29016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2008
Annotation	Japodagrin
Peak:m/z	Relative Intensity
55.01860	1.3
55.05526	1.7
67.05505	3.6
69.03426	6.2
70.44961	1.0
70.58110	1.8
70.58500	2.3
79.05499	3.7
81.07069	7.0
83.04963	1.7
85.06550	1.2
90.66940	1.0
91.05474	7.9
93.07047	8.8
95.04973	1.1
95.08614	4.6
97.02905	11.6
99.04464	0.9
105.07047	14.8
107.04958	1.5
107.08605	15.1
109.06531	4.1
109.10158	2.4
111.04425	1.6
111.08092	4.0
113.06010	1.1
113.89587	0.9
117.07016	2.1
119.08591	30.5
121.06535	2.3
121.10164	6.8
123.08102	5.7
123.11694	1.9
125.09640	100.0
126.09962	1.3
129.12848	0.9
131.08556	1.0
133.06493	1.0
133.10136	22.3
135.11647	1.6
137.09624	2.7
143.08568	4.0
147.08066	14.5
148.08731	1.1
151.11232	2.3
161.09612	12.4
163.11240	1.6
165.09137	16.9
176.62085	0.9
179.10684	10.6
180.11008	0.9
189.09135	11.2
207.10191	17.8
225.11218	19.3
271.16809	1.1
289.18085	1.7
313.17859	1.1
331.19196	2.9
372.18414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82639	1.2
53.03923	1.7
53.28405	1.4
55.01868	2.6
55.05502	4.2
58.65908	1.1
59.79534	1.1
67.05507	7.9
69.03432	10.4
69.07053	4.9
69.58157	5.3
69.58578	4.3
70.06593	10.5
71.04967	2.9
73.02892	1.2
79.05505	6.4
81.03402	3.0
81.07053	17.6
83.04961	3.5
83.08598	2.8
84.04039	1.8
84.04506	23.0
85.02906	10.8
85.04839	7.8
85.06539	1.8
86.03246	2.1
86.53219	1.1
91.05479	10.8
93.07048	12.1
95.04961	4.4
95.08604	10.2
97.02886	14.3
97.06547	2.1
99.04427	3.9
103.03957	6.5
104.04289	3.0
105.07034	18.6
107.04927	2.4
107.07873	1.6
107.08598	19.4
108.56232	1.3
109.02868	2.8
109.06513	7.5
109.10173	8.9
111.04422	5.5
111.08058	4.6
113.05975	1.8
116.07086	12.2
117.03336	1.6
117.07001	3.3
119.08586	35.3
119.98740	1.4
120.08935	1.3
121.06509	3.0
121.10121	9.7
123.08074	8.7
123.08804	1.5
123.11693	2.6
125.09629	100.0
126.05531	4.2
126.09921	1.8
127.03925	4.3
127.05847	3.1
128.04378	1.5
131.08539	4.4
133.06500	1.4
133.10138	23.6
135.08034	2.0
135.11661	5.2
136.06187	2.1
137.05940	1.9
137.09621	5.4
137.13176	1.6
139.03918	1.7
141.06934	1.6
143.08551	6.0
145.02873	3.8
145.05029	1.5
145.10106	3.8
147.08052	12.6
149.05969	1.7
151.11169	4.1
153.12772	2.7
157.10095	2.5
159.11681	4.0
161.09636	13.4
163.03949	6.4
163.11243	2.0
165.09103	14.6
169.01186	1.4
169.10103	1.5
169.12262	1.5
171.11644	3.4
173.09671	1.8
173.13266	3.3
177.05481	8.0
179.10709	12.1
187.07771	2.0
188.92485	2.9
189.09085	11.1
204.08475	2.3
207.10159	22.1
225.11227	27.3
225.16576	1.2
228.08376	3.3
230.09996	4.8
243.17529	1.4
246.09537	2.4
267.17343	1.8
271.16873	2.2
285.18295	2.5
289.02878	3.9
293.06775	2.1
313.17868	2.5
331.11981	2.6
331.19067	7.6
334.09042	2.2
349.13086	20.7
349.19962	11.9
350.12585	4.0
363.15924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.201
Annotation	17-Hydroxygutiesolbriolide
Peak:m/z	Relative Intensity
53.03955	8.5
55.05505	19.8
65.03925	5.7
67.05504	40.9
69.03423	22.5
69.07070	41.4
71.61007	10.3
71.78054	5.0
72.60131	5.1
73.23956	5.2
79.05499	44.8
81.07061	99.8
83.04997	13.1
83.08610	11.6
87.45628	5.3
89.33513	5.8
91.05485	49.9
93.07053	74.3
95.04958	20.0
95.08603	83.9
97.02887	18.1
97.06523	17.6
97.10162	8.2
100.11256	11.7
105.07033	90.4
107.08603	93.7
109.06536	16.8
109.10149	33.3
111.04450	29.3
111.08076	13.8
113.05984	8.3
115.08707	12.9
117.07018	18.0
119.04974	12.6
119.08601	100.0
121.06509	12.1
121.10188	27.6
122.03356	6.7
123.08083	18.7
125.05978	9.9
125.09637	49.3
131.05093	6.7
131.08562	30.0
133.10146	75.6
135.08061	13.8
135.11685	22.6
137.05963	9.5
137.09622	15.6
137.13269	6.6
143.08574	20.6
145.10138	43.6
147.04419	49.9
147.08095	22.3
147.11687	18.2
149.09601	11.7
149.13264	11.5
151.07513	11.7
155.08528	9.2
157.10149	20.8
159.08075	12.9
159.11705	22.1
161.09627	26.1
161.13303	12.7
163.11206	12.1
165.09160	34.2
169.10123	15.4
170.91563	9.1
171.11710	16.5
171.17610	6.1
173.09627	11.2
173.13260	17.4
175.11249	9.9
177.12749	8.7
179.10692	27.2
179.16045	6.2
182.15454	7.1
183.11710	19.1
185.13243	10.0
187.11238	7.8
188.92508	39.2
189.09079	13.1
193.12100	6.6
195.11734	7.1
197.13290	10.4
207.10182	24.2
210.14763	5.7
211.11169	11.4
211.14928	7.4
215.10603	7.4
225.11150	26.8
225.16280	7.9
227.17633	12.0
229.12390	6.5
239.18135	5.9
243.13762	9.3
249.16411	5.9
257.19022	8.5
267.17453	13.0
271.16898	13.9
273.14954	6.7
276.72906	6.9
285.18466	41.8
289.02866	59.2
289.18112	17.3
295.16879	10.4
303.19489	36.6
307.03918	22.0
313.17960	24.7
331.19101	20.7
349.20328	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	349.2008
Annotation	Neocaesalpin H
Peak:m/z	Relative Intensity
55.01862	1.2
55.05505	2.0
57.03428	0.9
59.05006	0.8
61.49066	0.5
65.03962	0.6
67.05506	4.1
68.44014	0.5
69.03429	5.5
69.07063	2.0
70.66479	1.7
71.04992	0.7
77.03905	0.6
79.05482	5.0
79.10309	0.5
79.89680	0.6
81.07059	8.5
83.04976	2.4
83.08605	0.6
85.06563	0.9
91.05482	7.4
93.07039	9.4
95.04964	2.1
95.08614	6.9
97.02897	9.5
97.06503	1.2
103.05435	0.8
105.07036	13.2
107.04961	1.7
107.08596	14.2
109.06513	5.1
109.10167	4.7
111.04447	1.3
111.08080	4.1
113.06014	1.4
117.07005	1.2
119.08582	28.9
121.06498	2.4
121.10141	8.8
123.08074	7.4
123.11697	2.3
125.09631	100.0
126.09988	1.4
128.06239	1.2
129.07014	0.9
131.08530	2.4
133.06477	1.4
133.10129	20.0
135.08067	0.9
135.11736	2.5
137.05974	0.8
137.09602	3.8
141.63751	0.6
143.08562	3.8
145.10129	2.0
146.07289	0.8
147.08055	12.6
147.11656	0.8
149.09694	1.1
151.11176	2.5
157.10139	1.0
159.11703	1.0
159.81432	0.5
161.09624	11.6
161.39297	0.5
163.07594	0.6
163.11157	1.5
165.09117	15.5
166.52263	0.6
171.08112	0.9
171.11769	0.6
175.11244	0.8
177.09186	0.5
177.37938	0.6
179.10678	11.6
185.09615	0.6
187.11197	0.6
187.14888	0.7
189.09109	10.8
201.12779	0.6
205.12326	0.5
207.10184	19.8
225.11218	24.1
226.11702	0.6
266.13782	0.6
271.16940	1.1
275.20074	1.9
285.18491	1.2
289.18018	2.3
303.19452	0.9
313.18039	1.7
322.22778	0.5
324.03125	0.5
331.19025	3.4
349.19858	2.9
349.23624	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70623	0.7
53.03926	1.0
55.01867	1.2
55.05498	2.2
57.03428	0.7
59.05006	1.4
61.10814	0.7
62.03186	0.7
67.05499	4.5
69.03429	6.4
69.07055	2.1
69.34277	1.8
69.34686	5.5
79.05483	6.1
80.93893	0.7
81.07050	9.3
83.04984	2.0
83.08606	2.2
85.06525	0.8
91.05479	9.3
93.07040	10.6
95.04964	2.2
95.08608	7.7
97.02885	8.9
97.06531	2.0
105.07021	13.8
107.04961	1.5
107.08588	14.3
109.06514	5.7
109.10136	5.3
111.04431	3.7
111.08088	3.4
113.05972	1.9
117.07016	2.6
119.04922	2.1
119.08574	33.0
121.06502	2.8
121.10137	9.8
123.08064	6.9
123.11726	2.1
125.09621	100.0
126.09991	1.2
129.06984	1.1
131.08568	2.0
133.06493	1.6
133.09102	1.2
133.10114	20.8
135.08002	1.5
135.11702	3.6
137.05962	1.1
137.09621	4.1
139.07512	1.4
143.08568	3.8
145.10120	4.3
147.04422	3.8
147.08038	13.6
147.11699	1.2
148.08862	0.7
149.09604	1.4
151.07539	1.2
151.11174	2.6
156.09280	0.8
157.10117	2.2
159.08026	1.1
159.11688	2.2
161.09612	12.9
161.13206	0.8
163.11162	2.1
165.09097	15.4
169.09984	0.7
171.11703	0.9
173.09637	1.0
173.13234	1.0
175.11093	1.1
177.12817	0.9
179.10677	12.0
183.11751	1.7
185.13239	1.2
189.09081	10.5
193.45689	0.7
197.13257	1.6
201.64726	0.8
203.10724	0.8
207.10139	18.1
219.13817	0.8
225.11197	25.0
226.11420	0.9
239.88177	0.8
242.08417	0.7
243.17511	0.9
253.15921	0.9
257.18854	1.4
267.17493	0.8
271.16925	1.9
275.19934	1.1
285.18454	6.0
289.18063	2.7
295.16919	1.1
302.84006	0.7
303.19577	2.2
313.17859	3.7
315.19745	1.0
331.19077	6.7
349.20129	3.9
349.24194	0.9
349.24893	1.1
349.29303	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	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05502	1.3
56.96563	0.4
57.03436	0.7
57.37179	0.4
61.19165	0.5
67.05500	2.2
69.03432	0.8
69.07064	1.3
71.01740	0.4
71.04993	0.7
71.60009	0.8
74.02609	0.4
77.41169	0.4
79.05499	2.7
81.07066	3.9
83.04974	2.1
83.08633	0.6
85.02865	0.5
90.67838	0.4
91.05489	3.2
93.07076	2.2
95.04959	1.4
95.08595	3.1
96.08139	3.1
97.02894	1.5
97.06542	1.3
105.07039	3.1
107.08585	2.4
109.02842	0.7
109.06518	1.0
109.10147	1.4
111.04457	1.3
112.07608	1.1
117.07018	1.6
119.08576	4.0
119.87044	0.5
121.10146	1.8
123.08051	1.0
123.11752	0.8
125.09621	4.8
129.06982	0.8
131.08559	1.3
133.10158	2.6
135.08070	0.6
135.11707	0.9
137.05798	1.3
137.09579	0.8
138.09158	0.5
143.08554	0.7
145.02798	0.6
145.10135	1.7
147.08025	1.3
147.11688	1.2
149.09622	0.7
149.13239	0.7
151.11203	0.5
157.10135	1.0
159.11703	1.6
161.09680	0.7
161.13263	0.5
173.09518	0.5
173.13278	0.7
177.05487	1.7
187.14804	0.5
197.13229	0.8
205.08595	0.7
207.10141	0.6
214.30838	0.5
217.08569	0.5
225.11234	1.6
239.17989	0.6
240.88815	0.4
257.19159	1.3
275.20142	1.1
285.18323	0.7
287.29260	0.5
331.19034	1.5
349.19864	100.0
350.19714	3.7
350.23401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1856
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
53.03947	2.6
55.05514	2.7
61.02918	3.6
67.05492	5.1
69.03426	5.1
69.07063	4.3
69.09924	1.7
70.06576	5.8
70.84153	6.4
71.04984	5.0
72.08144	3.1
73.02943	2.5
79.05482	5.3
81.03419	2.7
81.07058	17.4
83.04971	1.8
85.02903	17.7
86.09701	4.8
91.05479	11.4
93.07036	16.4
95.08604	100.0
96.08923	2.7
97.02898	7.4
97.06514	2.9
99.05555	2.5
99.09230	5.6
105.01871	2.2
105.07030	17.9
107.08600	20.2
109.02898	2.2
109.06527	1.8
109.10154	8.8
111.04473	1.7
116.07061	4.3
119.08583	2.4
120.08095	4.6
121.10143	48.0
123.11699	11.6
125.09643	7.9
127.03936	3.7
131.08571	6.7
133.10133	76.1
134.10475	3.3
135.11707	11.9
139.11176	75.3
140.11475	2.4
145.04939	3.7
145.10097	2.8
151.11189	29.6
151.87785	2.0
153.12759	2.7
159.11559	1.8
169.12251	27.5
177.05463	3.5
181.04803	2.3
187.13342	9.0
187.14809	2.3
188.05310	5.0
189.48111	2.1
228.08459	3.0
246.09581	4.9
331.11655	2.6
349.12604	6.1
349.21765	2.9
355.71747	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1857
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.43244	1.3
51.11894	1.5
53.03947	3.8
55.01863	4.7
55.05507	6.9
56.95341	1.4
57.03440	4.3
59.05005	26.7
61.02910	1.9
67.05509	10.2
69.03423	13.1
69.07062	4.6
70.06592	5.0
70.72858	2.9
70.73218	4.1
71.04992	11.0
72.08137	2.2
73.02938	1.7
75.04491	2.0
79.05492	12.3
81.03416	4.2
81.06579	2.6
81.07056	48.2
82.07384	1.5
83.04990	5.0
83.08625	7.1
84.04494	6.3
84.08154	2.0
85.02903	23.2
85.04839	2.2
85.06553	4.9
86.09701	2.9
86.39718	1.5
87.04461	14.5
89.06032	2.6
91.05484	25.8
92.21923	1.6
93.07045	100.0
94.07366	2.4
95.04983	9.2
95.08595	9.1
97.02907	8.3
97.06525	2.4
99.04427	2.5
100.07610	2.0
100.11257	6.2
103.03952	3.2
104.90549	1.4
105.04446	1.3
105.07026	31.3
107.08598	21.7
109.02858	4.4
109.06519	10.8
109.10158	13.8
110.07146	1.6
110.10476	2.7
111.04446	1.4
111.08080	77.3
112.08385	2.1
116.07075	2.1
117.06985	2.2
119.04974	5.4
119.08594	4.2
121.06542	2.1
121.10143	10.5
123.08080	4.1
123.11700	29.2
124.11923	1.6
125.09596	3.2
127.03934	7.5
131.08556	2.4
133.10135	31.3
134.10452	2.3
135.08073	2.1
135.11736	4.0
136.07561	2.0
145.04980	2.0
145.10132	1.6
147.04402	19.7
147.11821	1.9
149.09668	1.9
151.11180	52.1
152.11562	4.5
167.15598	1.5
169.12244	91.0
170.12589	3.4
182.15448	1.9
187.13286	26.0
187.69499	1.6
188.13593	1.9
276.72821	6.1
349.13214	3.7
349.19885	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1856
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
52.36786	2.2
53.03940	5.2
55.01862	4.3
55.05500	5.1
57.03425	7.2
61.02935	10.6
61.56282	2.0
67.05495	9.5
69.03431	26.6
69.07059	11.3
70.94289	4.9
70.94597	2.1
71.04996	37.8
73.02888	2.8
79.05491	11.5
80.69956	2.1
81.03417	11.5
81.07059	80.8
83.04990	4.0
85.02908	81.4
87.04475	4.3
89.05994	2.6
91.03951	5.4
91.05494	3.2
93.07031	6.3
95.04996	2.8
95.08596	6.8
97.02351	3.3
97.02888	26.8
97.06533	11.2
99.04460	5.2
99.08085	3.5
105.07030	3.3
107.08599	18.0
109.02882	8.2
109.06547	3.7
109.10161	20.8
111.08076	4.4
111.11714	3.0
117.56180	2.2
121.10128	3.8
123.11707	40.3
127.03929	14.2
133.10132	6.3
139.11154	9.9
145.04962	10.2
147.04424	3.7
151.11179	49.1
157.12244	9.7
169.12244	100.0
170.12556	3.7
172.95244	4.1
187.13303	31.2
190.39841	2.4
195.10422	3.7
202.06830	5.0
228.08420	13.3
228.10385	2.2
307.06250	2.7
325.07086	4.1
331.11157	8.9
349.12033	6.1
349.18448	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	349.1858
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.45401	1.2
53.03941	5.8
53.49369	1.3
53.77195	1.4
55.01858	2.7
55.05497	5.1
55.88067	1.2
56.05030	1.9
56.63714	1.3
56.96563	2.9
57.03423	4.5
57.07067	1.6
59.04985	2.8
59.75772	1.4
60.04526	1.6
61.02915	5.6
62.93288	1.2
67.05507	5.9
68.58545	1.6
69.03429	28.4
69.07072	12.4
70.06589	4.2
71.04993	24.2
71.58467	2.1
72.08144	2.8
73.02916	4.1
79.05490	8.1
81.03423	28.1
81.07056	51.9
82.07384	1.4
83.04985	7.5
83.08624	2.6
84.04509	8.8
84.08131	2.3
85.02904	100.0
85.04841	2.7
85.06552	2.3
86.02744	1.3
86.03239	3.9
86.09712	6.8
87.04466	1.7
89.06009	2.0
91.05483	5.9
93.07024	8.0
95.04972	3.2
95.08568	3.6
97.02895	19.7
97.06519	6.2
97.10167	1.5
98.97598	2.8
99.04447	32.5
99.08084	5.7
103.03946	55.1
104.04272	1.4
105.07019	2.5
107.08584	10.2
109.02881	22.8
109.06540	3.8
109.10149	13.3
111.08073	3.3
111.11709	4.5
116.98604	2.2
119.04960	5.1
119.08549	1.7
120.08111	2.7
121.10155	3.2
123.08129	2.7
123.11713	27.2
125.09679	2.7
126.05478	1.8
127.03919	97.0
128.04269	2.8
128.10738	1.4
133.10114	5.3
135.11736	1.9
139.03827	1.4
139.11194	11.6
143.38385	1.5
145.04961	20.2
147.04433	22.1
151.11176	27.9
154.94170	3.4
157.12259	13.5
163.03870	1.5
163.06000	3.0
169.12247	75.2
170.12589	2.3
172.01598	1.5
172.95251	10.1
173.12872	5.9
174.68001	1.5
177.05424	3.4
187.06010	8.5
187.07596	2.1
187.13271	20.5
190.96251	5.1
201.12413	2.4
202.09038	1.4
203.07510	6.9
207.10045	1.5
234.98964	1.9
246.11281	1.8
253.07018	2.9
261.10056	2.0
264.36633	1.7
271.08118	2.8
279.85931	1.5
289.05069	1.9
307.06195	6.0
325.07172	5.8
349.09161	3.3
349.13358	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	349.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49667	2.1
51.84964	1.7
53.00987	1.9
53.03938	3.6
55.01867	7.3
55.05501	7.1
56.96563	5.0
57.03426	7.3
57.07074	3.8
59.05003	3.9
59.54789	1.9
61.02933	13.7
67.05505	12.6
69.03430	36.6
69.07070	21.6
69.99142	9.3
70.06580	5.2
71.05000	28.0
73.02917	2.4
79.05494	16.1
81.03413	15.3
81.07056	82.5
82.07384	2.3
83.04546	2.1
83.04959	12.7
83.08611	10.0
84.08143	2.7
85.02906	100.0
85.06544	2.6
86.09733	3.4
91.03947	2.9
91.05484	15.7
93.07043	65.0
94.07366	2.8
95.04971	10.2
95.08601	11.0
97.02893	27.0
97.06538	7.0
97.77824	2.1
98.97582	4.4
99.04453	6.0
99.08096	5.8
103.03900	2.4
105.07024	12.3
107.04985	2.4
107.08591	45.9
107.40154	2.4
109.02878	11.0
109.06525	13.9
109.10158	26.2
111.04445	2.4
111.08059	5.5
111.11732	2.9
113.06013	8.9
115.46907	2.0
119.08587	3.0
121.06480	2.9
121.10145	5.9
123.04421	2.8
123.08101	4.8
123.11703	44.3
125.09654	5.4
127.03931	18.8
127.11209	2.6
131.08568	4.1
133.10156	10.5
135.08051	3.2
135.11696	40.6
136.93118	17.0
139.11172	11.4
141.12762	3.5
145.04950	10.3
147.04404	2.8
149.09630	2.9
151.11185	43.5
153.05492	2.2
153.12741	4.7
154.94165	42.0
157.12206	17.2
158.97404	3.4
159.11774	2.3
161.01277	2.6
167.10736	2.3
169.12231	88.9
170.06360	4.3
171.13794	2.7
172.95238	92.8
173.04868	3.5
177.00708	2.4
187.13277	34.8
188.07240	2.7
190.96292	46.4
193.12230	2.9
195.10498	10.6
202.06804	5.4
203.07593	4.0
213.05984	2.8
214.96260	3.5
216.97893	2.9
224.10941	2.1
228.08408	18.9
234.99101	12.8
237.02888	3.8
243.09067	6.7
243.12233	3.7
246.09480	13.9
247.13284	2.1
259.08472	3.0
265.14273	3.0
271.04077	5.2
289.05139	43.0
290.05576	2.8
295.15189	2.3
303.05325	6.5
307.06165	80.6
308.06628	5.1
312.06641	3.4
313.16464	6.1
325.07236	36.0
326.07639	3.9
330.07687	4.9
331.06702	2.7
331.11148	13.7
331.17490	2.6
332.11386	2.4
349.07336	4.4
349.12119	3.5
349.22006	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40191	1.6
53.03945	4.4
55.01868	1.9
55.05508	7.6
56.84433	1.6
57.03425	2.8
57.07087	1.7
59.04990	3.0
61.02921	4.1
63.23611	1.7
65.81611	1.7
67.02609	1.5
67.05504	7.3
69.03435	13.0
69.07065	18.3
69.25431	4.8
69.25841	13.5
71.05000	19.3
71.67124	1.9
73.02908	2.3
77.52272	1.5
79.05492	9.7
81.03407	5.6
81.07059	74.2
83.04964	5.6
83.08601	3.1
84.04507	17.9
85.02908	41.2
85.04831	7.5
86.03228	3.1
91.03931	2.0
91.05480	3.5
93.07057	12.6
95.04956	3.3
95.08613	6.1
97.02892	11.8
97.06516	6.8
97.10143	1.7
99.04449	5.3
99.08094	9.0
100.07580	1.8
100.11256	13.9
101.05990	1.9
103.03950	5.2
104.04266	4.1
105.07027	4.5
107.08585	14.5
109.02889	5.7
109.06520	3.9
109.10198	8.4
111.04413	2.8
111.08084	3.4
111.11734	7.8
119.08566	4.6
123.08080	2.1
123.11715	41.3
125.09630	6.2
126.05537	3.1
127.03904	10.9
127.05872	2.3
131.08591	1.8
133.10129	4.2
135.11714	3.6
139.11198	20.2
141.11549	1.8
145.04962	6.9
146.05272	1.8
147.08018	1.9
147.11577	1.9
151.11174	12.9
153.40437	1.6
157.12245	17.0
161.09645	1.7
163.03894	3.2
165.62798	1.7
167.07014	1.7
169.12248	100.0
170.12602	2.4
182.15479	2.8
187.07591	2.1
187.13306	41.5
210.14905	6.7
225.11160	2.4
227.17422	2.8
233.09454	1.6
276.72940	9.8
340.25891	2.4
349.13068	7.7
349.20068	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	349.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88669	0.7
53.03947	4.0
55.01871	1.3
55.05511	2.1
56.11546	0.6
56.96557	1.0
57.03426	2.7
57.07067	0.9
59.06116	1.4
60.04505	0.9
61.02923	2.5
67.05493	1.1
69.03429	17.2
69.39805	6.4
70.06583	2.1
71.05001	6.3
73.02900	0.8
74.06078	0.7
79.05485	1.4
81.03416	28.5
81.07076	4.6
83.04977	1.8
84.04504	8.1
85.02903	59.9
85.04845	2.4
86.03223	0.8
86.09700	1.4
91.03983	0.7
91.05482	2.8
93.07017	1.9
95.08609	1.4
97.02882	7.0
97.06564	1.1
98.97588	0.8
99.03938	0.6
99.04449	28.1
101.07140	3.5
103.03941	62.3
104.04271	1.4
105.07065	1.0
107.08573	2.0
109.02877	24.0
109.10168	1.1
111.04410	0.8
111.08029	0.7
116.07109	0.9
119.04977	3.5
121.10157	0.7
121.42828	0.6
123.11726	2.4
125.09662	1.6
126.05517	1.6
127.03915	100.0
128.04260	0.9
133.10118	1.2
136.93155	1.2
139.03859	0.7
145.02966	1.0
145.04958	14.4
147.04408	11.3
148.04666	0.7
151.11201	2.9
154.94202	2.9
157.12329	1.0
163.06026	3.0
169.12257	4.4
172.95227	8.5
177.05478	1.3
187.06036	7.8
187.13290	1.6
190.96268	5.3
196.68900	0.7
247.11842	1.2
253.07056	3.1
271.08112	2.9
289.04956	2.1
303.19669	0.8
307.06192	6.3
325.07306	5.9
331.12198	0.8
349.08954	2.9
349.13303	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	349.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.05505	2.6
56.96562	2.1
57.03439	4.3
59.05003	2.2
61.02921	3.0
67.05505	2.2
69.03432	15.9
69.07060	2.4
70.06590	3.9
71.05006	6.5
71.56958	1.8
72.08168	1.4
73.02912	1.9
75.88719	0.9
79.05499	3.4
81.03419	26.7
81.07059	7.8
82.06577	1.1
83.04980	2.6
83.08627	1.2
84.04506	8.4
84.08134	1.7
85.02905	52.2
85.04836	1.8
86.03267	1.3
86.09698	2.9
91.05482	4.9
93.07054	12.9
95.04971	1.5
95.08604	2.6
97.02882	6.6
97.06544	1.8
98.07161	0.9
99.04453	27.8
99.05563	2.7
99.09234	1.7
100.04749	1.0
101.07150	2.0
103.03942	53.5
104.04262	1.1
105.07016	3.2
107.08595	9.6
109.02882	20.3
109.06556	1.0
109.10172	1.0
111.04438	1.2
116.98600	1.3
117.03333	0.9
119.04947	2.6
119.08579	1.6
123.08092	1.3
123.11718	3.3
125.09634	1.5
126.05527	1.2
127.03918	83.8
133.10121	2.5
135.11705	2.0
136.93111	9.8
139.11172	1.4
145.02837	1.0
145.04951	13.6
147.04405	10.0
151.11191	3.0
154.94168	31.6
157.12250	1.3
163.03758	1.0
163.06038	3.4
169.12224	7.8
172.95238	100.0
173.12877	1.1
177.05507	1.6
187.06015	7.9
187.13309	3.1
190.96286	66.3
195.96811	7.7
201.12621	0.9
202.08961	0.9
208.39824	0.9
208.97395	1.6
211.07343	1.0
213.97878	3.4
229.10657	1.0
253.07115	2.4
271.04099	2.6
271.08081	2.6
276.00171	0.9
289.05109	31.6
290.05618	2.1
307.06177	83.8
308.06476	4.8
312.06659	2.6
325.07233	71.8
326.07770	4.1
330.07806	10.2
331.08591	0.9
331.12704	1.0
343.08331	1.7
348.08746	5.7
349.09134	2.0
349.13370	5.1
367.08246	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05514	1.9
57.03416	0.4
57.07079	0.6
61.02935	0.4
67.05508	1.8
69.03429	2.2
69.07076	1.7
69.28107	1.8
69.28532	1.8
70.06580	0.5
71.04998	0.6
79.05494	1.6
79.94520	0.3
81.03410	0.6
81.07061	7.3
83.04978	0.6
83.08620	0.8
84.08141	0.4
85.02915	4.3
85.06494	0.3
91.05483	2.7
93.07049	3.9
95.05006	0.6
95.08607	3.8
97.02905	3.0
97.06537	0.4
98.09748	0.4
99.04427	0.5
100.11299	2.0
100.56525	0.3
101.07158	0.3
105.07037	2.5
107.04956	0.4
107.08596	3.7
109.02912	0.4
109.06496	0.9
109.10151	1.4
111.04453	0.4
111.08096	0.5
114.06652	0.3
115.05473	2.7
115.08711	1.6
117.06972	0.6
119.04950	1.0
119.08578	4.4
120.08088	0.5
121.06495	0.4
121.10148	1.4
123.08094	1.1
123.11697	0.6
125.08750	0.6
125.09631	7.8
127.03944	0.5
131.08562	1.1
133.10126	2.9
133.90694	0.3
135.08080	0.5
135.11716	1.9
137.08347	0.4
137.09622	0.7
137.13271	0.9
139.08609	0.4
141.06996	9.0
145.10127	0.9
147.04411	5.0
147.08044	1.2
147.11685	0.6
148.70253	0.4
149.05981	0.4
151.07631	0.3
151.11203	0.6
157.10181	0.4
159.07991	0.4
161.09636	0.7
163.11313	0.5
165.09117	1.1
169.06602	0.4
169.09921	0.4
170.91376	0.7
172.95222	0.9
179.10686	1.4
182.15428	0.5
187.07550	100.0
188.07875	3.6
188.92476	6.0
189.09171	0.8
191.08063	0.4
201.12550	0.5
203.10605	0.4
206.93565	0.6
207.10149	1.4
210.14825	0.4
211.94118	0.5
225.11208	1.3
230.93513	1.4
271.16705	0.4
276.72815	0.9
284.99860	0.6
285.18433	0.8
287.01328	1.2
289.02884	10.6
289.05951	0.7
290.03159	0.8
307.03796	3.0
313.18082	0.5
330.05646	0.9
331.19003	0.8
349.04898	0.4
349.14853	1.0
349.20313	0.9
350.13159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01847	0.4
55.05505	0.5
56.96548	0.6
57.03440	0.6
57.07055	0.7
65.03937	0.9
67.05496	0.6
69.03415	0.8
69.07046	0.4
70.06603	0.4
70.93706	1.1
71.04984	1.0
72.08163	0.6
73.02917	0.7
79.05495	0.8
81.03423	2.0
81.07059	3.0
83.04977	0.7
85.02903	2.7
91.04967	0.7
91.05486	9.8
93.03405	0.4
93.07028	0.9
95.04987	0.4
95.08612	0.5
97.02891	0.8
107.08565	0.7
109.02882	2.0
109.10157	1.2
111.04414	0.7
111.08003	0.3
112.99043	0.4
119.04944	24.7
120.05271	0.5
121.02871	4.1
121.10156	0.4
121.31664	0.4
123.11695	1.1
123.43124	0.4
125.02385	2.5
125.09618	0.5
127.03959	0.5
137.02318	2.1
139.03867	0.5
139.11218	0.6
145.04927	0.6
147.04408	100.0
148.04750	1.5
151.11195	1.5
155.03423	1.0
163.03973	0.5
165.05502	1.2
167.03404	0.9
169.12231	3.3
170.52399	0.4
177.04335	0.5
185.04462	2.8
187.11880	0.4
187.13181	1.7
203.05484	1.2
283.06989	0.6
284.10168	0.5
349.19260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0895
Annotation	Pibocin B
Peak:m/z	Relative Intensity
54.05155	2.7
56.96560	3.0
59.31587	2.9
61.02921	6.6
64.91815	2.8
68.80809	3.1
69.03439	3.6
71.04989	3.2
71.60101	3.5
71.60472	5.1
81.70010	3.0
84.41858	3.0
85.02887	8.6
97.02880	6.4
98.97581	5.6
101.00886	9.9
106.22619	3.1
113.00854	4.0
113.68620	3.0
116.98617	3.9
119.01914	49.5
119.04955	3.5
131.01920	33.1
133.03485	10.3
137.02979	9.6
143.01897	5.6
145.03450	4.3
146.99663	3.7
147.04344	3.4
149.02942	7.4
155.01910	5.5
161.02972	10.0
168.99817	15.7
169.06857	5.1
173.02974	12.6
178.56000	3.0
187.00883	26.0
187.07884	5.6
191.03984	3.9
196.99300	7.3
199.00842	8.9
205.08963	3.0
215.00383	37.1
219.03491	5.8
221.05060	5.0
229.01891	15.5
231.03590	4.8
239.06181	3.2
247.03026	56.3
259.02994	9.6
267.03885	3.6
267.07452	3.4
289.04169	6.6
294.25665	3.7
317.03461	4.6
334.43704	3.8
349.08820	100.0
350.09442	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	3.1
56.96556	15.6
60.04533	5.0
69.62394	3.4
69.99583	19.0
70.06577	3.9
72.08152	10.6
84.04508	6.9
84.08129	12.0
84.96016	5.3
85.02895	6.6
86.09705	17.3
87.10054	8.5
97.02937	4.2
98.97583	25.2
116.98600	13.7
119.01918	4.9
119.03585	3.4
125.22262	3.1
128.98605	11.1
129.10292	3.6
131.00209	5.4
132.10216	8.9
134.99614	5.6
136.06175	5.0
141.04013	4.0
141.10214	4.1
145.01755	4.0
146.99619	10.2
147.04413	7.7
152.05681	10.2
158.99715	7.3
161.01288	5.4
161.02844	3.3
162.99173	3.8
163.02776	22.9
167.04434	6.8
177.00687	17.7
181.03831	8.2
201.48610	3.6
205.03868	4.7
219.01802	14.3
229.05780	3.9
237.02769	37.4
247.04967	6.5
255.03999	4.7
261.02963	10.3
279.03806	32.8
289.05829	4.4
307.07086	6.3
349.08792	100.0
367.09369	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	349.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04839	2.6
56.96541	3.9
69.03409	3.2
71.57982	5.2
84.08134	3.8
85.02888	9.2
97.02946	3.9
98.97581	6.3
101.00890	16.6
113.00838	3.1
119.01920	48.5
127.03925	4.8
131.01900	34.7
133.03448	9.2
137.02937	6.7
143.01842	9.3
144.99765	3.6
147.04413	4.0
149.02916	10.1
155.01852	4.7
161.02925	11.0
162.26038	2.8
168.99835	15.7
169.06786	4.6
173.02960	16.3
185.02986	3.7
187.00876	26.7
187.07927	6.9
191.03882	5.8
196.99254	9.2
199.00836	7.5
203.03998	5.4
214.98495	4.5
215.00378	54.4
219.03459	5.0
221.05064	3.9
229.02025	14.3
231.03568	3.2
241.01982	4.4
247.03003	56.1
247.06627	3.8
259.02936	9.9
267.03879	3.6
270.04630	5.2
277.04367	3.4
289.03958	12.8
290.71826	2.9
317.03470	4.9
349.05048	6.5
349.08868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.9
55.05509	28.9
55.57636	2.5
57.03431	5.0
57.07063	2.3
65.03947	2.7
67.05508	53.5
69.03426	10.6
69.07079	14.6
70.22239	12.4
71.08628	9.2
76.69463	2.4
79.05502	25.4
81.07054	58.5
83.04982	7.1
83.08620	22.4
84.04517	8.5
85.02906	3.2
85.06530	2.7
90.06889	2.6
90.39481	2.8
91.05481	27.7
93.07056	33.5
95.04967	5.3
95.08616	22.4
97.02900	5.6
97.06562	8.9
97.10174	15.4
99.04423	3.7
99.08112	7.0
103.03969	2.4
105.07050	19.6
107.08603	28.2
109.06541	5.9
109.10165	25.6
111.08100	6.7
113.06043	3.2
117.07016	6.2
119.08591	38.2
121.06564	4.5
121.10149	13.7
123.08099	6.4
125.09641	100.0
131.08611	7.9
133.10149	27.8
135.11684	12.9
138.01175	2.2
138.56052	2.5
143.08638	5.2
145.09982	2.3
147.08078	11.9
147.11662	6.8
149.13249	23.1
151.11211	9.7
155.10667	6.3
159.11699	12.3
161.09647	9.2
161.13254	5.2
163.11211	5.9
165.09125	15.7
165.12762	2.8
173.11757	40.4
173.13176	4.6
177.12819	6.5
179.10699	8.6
179.14354	5.4
189.09138	9.7
189.11145	11.9
195.13805	64.4
195.15471	4.0
207.10165	19.9
213.14856	44.8
225.11189	22.1
267.91129	2.9
277.21625	32.7
290.87897	2.8
295.22754	18.5
313.18213	3.1
331.19373	2.9
348.12747	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	348.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01857	0.9
55.05504	2.5
57.03426	1.5
57.07073	0.7
59.05001	4.1
61.02918	2.4
65.03944	0.8
67.05504	6.1
68.21518	0.5
69.03426	4.5
69.07058	1.3
69.52570	5.1
70.06614	1.0
71.04993	3.5
73.02905	0.8
79.05490	7.4
81.03418	2.6
81.07055	36.6
82.07376	1.0
83.04977	1.6
84.04503	3.5
85.02902	22.4
86.09708	3.3
87.04476	1.2
88.04005	2.6
91.03969	1.4
91.05480	33.3
92.05795	0.6
93.07041	86.4
94.07376	1.6
95.04971	7.4
95.08599	8.9
97.02888	5.8
97.06537	0.6
98.97556	0.7
99.04465	1.8
103.03940	1.5
103.05453	1.5
105.07028	100.0
106.07370	2.6
107.08593	14.7
107.09299	1.2
108.04462	1.0
109.02871	2.2
109.06526	2.6
109.10155	1.9
111.08101	0.8
117.07023	1.0
119.04941	1.2
119.08582	1.3
120.99544	1.0
121.10143	1.8
123.08092	1.6
123.11695	10.6
127.03910	5.4
131.08577	3.5
133.10127	77.3
134.10500	2.9
137.94522	0.6
138.02228	1.4
138.05482	0.7
145.04961	6.0
147.04410	6.1
147.11662	0.8
149.09618	0.8
151.11179	24.0
158.72813	0.6
159.49860	0.7
163.05919	1.2
168.06529	1.0
169.12262	3.7
173.48279	0.6
181.29935	0.6
182.08226	1.0
191.10654	1.2
193.12247	1.9
242.10121	0.8
243.10825	0.8
243.59778	0.6
255.59579	0.6
277.14368	0.9
295.15356	1.2
303.13217	1.2
313.16260	2.0
331.13116	0.8
348.12726	5.2
348.20963	0.8
349.13748	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
55.05513	5.1
55.79354	2.1
55.93483	2.4
56.96565	4.1
57.07067	3.2
60.04529	10.7
64.44526	2.1
67.05510	21.8
69.03427	8.6
69.07067	5.3
70.00311	12.1
70.06602	6.4
71.04996	85.9
72.08162	13.6
74.72945	1.9
76.02222	3.2
78.79573	2.1
79.05492	20.7
81.03418	4.2
81.07053	10.0
83.04965	12.8
84.04519	17.5
84.08143	6.3
85.02914	18.4
85.06544	12.5
86.09704	50.1
87.05590	6.8
88.03996	9.3
91.05486	34.1
91.85907	2.1
93.07056	16.0
95.04964	5.1
95.08617	3.7
97.02890	6.3
97.06512	3.4
99.04454	4.3
102.05531	8.0
103.03957	6.5
103.05441	3.9
105.07037	23.3
107.04948	5.4
107.08610	9.1
109.02888	4.6
109.06544	4.5
111.04449	4.4
114.35806	2.2
116.06269	4.1
116.07066	3.2
117.07019	15.8
119.04970	2.6
119.08584	22.4
120.08103	4.0
121.06507	11.6
121.10176	7.6
122.02728	17.1
123.11711	4.7
124.07439	2.1
125.06011	6.5
127.03899	8.7
128.06239	2.5
128.10741	8.5
129.07002	9.6
129.10286	2.3
130.07816	2.9
131.08577	100.0
132.95827	2.1
133.10138	8.4
134.99599	3.2
135.11719	5.6
136.07637	2.8
137.09596	2.7
139.07535	4.6
143.08531	3.5
144.06650	2.5
145.04959	4.7
145.06465	8.7
145.10127	51.4
147.04413	10.9
147.08022	4.5
147.11678	7.7
148.06076	5.8
149.05995	4.9
149.09631	24.2
151.11180	3.2
155.08498	2.3
161.09653	4.1
163.03929	6.5
163.11209	10.8
165.09120	4.6
166.08670	2.7
167.07018	7.8
167.10718	8.1
168.11098	2.2
169.12247	7.3
171.14980	3.5
172.95230	4.4
173.09654	26.9
173.12866	47.6
179.10684	8.0
190.96292	4.0
191.10674	63.7
191.12334	4.4
191.14502	2.7
192.11031	3.1
201.12384	19.3
208.05679	2.2
209.11737	35.4
215.07834	2.7
217.08228	2.6
220.06110	2.9
227.12790	30.3
234.99109	13.9
241.08884	2.9
253.00137	2.5
259.10034	6.0
273.96030	2.4
282.11786	2.4
303.05267	6.6
307.06168	4.8
313.10983	5.9
320.05319	3.4
325.07224	3.7
330.13721	11.3
331.12054	14.9
348.14935	44.3
348.21393	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	347.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01867	2.8
55.05510	16.8
56.96563	4.0
57.03434	3.4
57.07066	4.5
62.77833	1.4
64.71326	1.4
65.03947	1.4
66.15643	1.3
67.05504	63.8
67.21791	1.2
69.03432	4.9
69.06717	2.3
69.07066	26.5
71.04982	9.8
71.08642	3.4
71.57281	1.9
79.05490	24.7
81.03413	3.7
81.07059	84.2
82.07392	1.8
83.04982	4.3
83.08614	13.6
84.96078	1.4
85.02894	2.0
85.06549	5.3
91.05485	14.2
93.07045	28.2
95.04985	6.2
95.08607	75.8
97.02898	3.4
97.06525	9.1
97.10165	11.3
98.97579	1.6
99.08100	2.9
105.07028	15.7
107.05008	1.4
107.08589	20.6
109.02877	4.1
109.06534	4.1
109.10155	41.8
111.08076	5.1
111.11727	2.1
114.05701	1.4
116.98595	1.4
117.07039	5.8
119.08579	15.1
121.06524	3.8
121.10132	22.4
123.08077	6.0
123.11707	16.6
125.09612	4.1
127.03976	2.5
127.35461	1.4
129.07043	1.5
129.09100	1.5
131.08556	9.7
133.10141	13.2
134.10417	1.4
135.08047	5.3
135.11699	14.8
137.06029	1.5
137.09639	2.7
137.13243	10.0
139.03929	1.5
139.07507	1.6
139.11205	2.7
143.08568	3.2
144.08272	1.4
145.10118	10.1
147.11710	10.7
149.01231	1.4
149.09657	3.3
149.13303	5.8
151.07541	1.7
151.11154	3.4
151.14793	2.3
153.12776	1.9
157.10164	3.8
159.11720	8.9
161.09636	2.9
161.13243	9.8
163.03906	2.0
163.11174	2.7
163.14824	4.1
165.12767	3.4
167.10625	2.0
171.11653	2.5
173.11758	3.9
173.13278	9.1
175.14877	1.8
177.00685	1.4
177.09079	1.7
177.12775	2.5
179.14336	4.4
181.12209	2.0
185.13269	1.9
187.11288	1.8
187.13359	3.5
187.14844	5.4
191.14291	1.9
195.11807	1.9
197.13138	1.6
205.15840	3.1
209.15430	3.0
243.21091	9.9
251.23956	1.5
261.22147	25.3
279.23196	100.0
280.23657	4.0
283.17053	1.9
287.05515	2.6
297.24261	11.3
311.16425	2.8
311.25769	2.8
329.17426	5.1
347.18500	6.8
347.22327	2.7
347.26398	1.8
348.14459	1.7
359.04227	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.222
Annotation	Ceriopsin E
Peak:m/z	Relative Intensity
55.05506	4.7
57.07076	2.0
59.04993	1.9
65.03952	2.2
67.05511	12.8
69.03420	4.3
69.07066	17.8
70.56367	4.9
73.06544	5.2
73.24556	1.4
79.05491	9.8
81.07069	15.4
83.04995	3.0
83.08606	3.9
87.08102	2.5
88.24773	1.6
91.05492	10.7
93.07056	10.8
95.04966	3.3
95.08609	30.0
97.02882	5.4
97.06522	6.7
99.08111	1.6
105.07038	28.4
107.08597	22.4
109.06502	3.1
109.10171	22.4
111.04425	6.3
113.06057	2.0
117.07019	5.8
119.08577	46.3
121.06511	3.0
121.10137	14.6
123.08080	8.2
123.11703	5.1
128.06200	2.2
129.06982	2.9
129.09146	4.5
131.08589	12.1
133.06480	11.6
133.10136	28.0
135.08054	4.4
135.11673	5.7
137.09628	2.6
137.13284	2.7
142.07773	3.2
143.08551	8.0
144.09319	2.2
145.06477	2.7
145.10136	16.5
147.08070	11.2
147.11688	6.3
149.09654	3.8
155.10632	2.0
157.10135	12.8
159.08067	4.2
159.11699	17.5
161.09587	9.5
161.13210	3.4
161.81976	1.7
163.11180	3.8
165.09111	8.5
169.10146	7.0
171.11745	9.9
173.09734	3.8
173.13286	10.5
175.11240	4.0
175.14754	2.3
177.09109	2.7
179.10672	6.8
181.10150	2.3
185.09642	9.9
185.13216	3.8
187.11217	21.2
187.14780	2.8
189.09138	7.3
191.10657	4.0
193.12350	1.7
197.13284	2.5
199.11186	4.5
199.14806	3.7
201.12750	5.8
203.10754	2.5
205.12288	3.8
207.10225	4.1
209.13286	4.0
211.14838	3.2
213.16475	2.7
217.12343	2.1
219.13823	2.8
221.11678	7.5
225.16347	2.3
227.14352	2.7
227.17899	8.2
229.15924	1.6
237.16405	3.9
239.12866	7.0
239.18086	2.1
241.19627	2.6
251.17969	6.2
253.19441	2.4
255.17487	9.8
269.18979	15.1
273.18561	5.3
279.17514	7.5
287.19998	6.9
297.18475	28.0
299.31973	2.0
301.18466	3.1
301.21512	11.7
308.57629	1.6
311.19861	2.1
315.19507	16.5
329.21130	21.1
347.22174	100.0
347.33560	5.0
348.22760	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	347.2216
Annotation	Ceriopsin E
Peak:m/z	Relative Intensity
55.01859	1.4
55.05510	4.9
57.07056	2.1
67.05507	10.9
69.03413	4.0
69.06726	1.3
69.07073	15.6
71.60664	1.0
71.61047	1.6
73.06550	4.9
79.05485	5.3
81.07063	13.4
83.08598	3.9
87.08118	1.4
91.05479	8.8
92.45806	1.1
93.07040	12.4
95.04943	3.8
95.08050	2.2
95.08606	25.4
97.02889	4.1
97.06527	3.6
97.10168	1.2
105.07028	30.4
107.04964	2.2
107.08584	22.9
109.06512	6.0
109.10162	17.3
111.04421	3.3
113.05975	2.0
117.07031	3.5
119.08580	46.9
121.06497	3.0
121.10151	9.7
123.08050	8.2
123.11720	3.6
125.09661	1.5
129.06995	2.5
129.09134	3.6
131.08585	8.6
133.06491	13.3
133.10132	26.7
135.08017	2.6
135.11685	4.6
137.09595	3.7
137.13249	1.4
141.09157	1.6
143.08533	6.8
144.09377	1.4
145.06453	1.7
145.10133	15.3
147.08047	10.5
147.11693	5.4
149.09610	3.8
155.08551	1.5
155.10649	2.6
156.09390	1.8
157.10124	12.7
159.08054	3.7
159.11697	17.2
161.09583	9.6
161.13271	1.3
163.07593	1.8
163.11189	4.4
165.09129	8.6
169.10110	6.1
171.08084	1.8
171.11676	7.1
172.08810	2.9
173.09685	3.5
173.13235	6.3
175.11240	1.6
175.14845	2.9
179.10712	4.2
182.04288	1.3
183.11632	3.1
185.09619	9.7
185.13240	4.1
187.11180	18.2
189.09096	9.2
191.10661	3.2
193.12221	1.8
195.11792	2.0
197.13258	1.8
199.11186	4.2
199.14783	3.3
201.12752	2.6
205.12328	1.6
207.10124	4.3
207.11862	1.3
209.13338	2.7
211.14888	3.2
213.12772	3.6
217.12254	2.7
219.13818	4.0
221.11725	4.3
223.14853	1.4
225.16322	1.8
227.10704	1.6
227.17924	6.6
227.44823	1.3
229.15926	1.9
235.14926	2.2
237.16402	3.7
239.12764	5.1
241.19432	2.8
243.17351	1.6
251.17955	4.5
253.19632	1.6
255.17398	5.9
269.19028	14.8
273.18466	2.4
279.17502	5.4
287.20004	2.3
297.18533	20.2
301.18161	2.0
301.21582	11.4
311.19989	1.5
315.19482	7.1
329.21063	17.1
347.22174	100.0
347.33582	3.6
348.22495	3.8
363.47626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2219
Annotation	Ceriopsin E
Peak:m/z	Relative Intensity
52.45260	5.0
55.05508	12.2
56.16258	4.5
56.96554	11.5
60.35245	4.7
60.73364	4.2
67.05509	26.3
69.03419	12.8
69.07064	31.4
71.59507	5.5
73.06537	7.5
79.05500	14.2
81.03408	8.7
81.07053	33.6
82.53156	6.0
83.04980	7.4
83.08605	9.0
85.02889	5.5
91.05495	27.1
93.07037	29.2
95.04990	5.7
95.08616	60.6
97.06527	16.9
99.08087	5.4
105.07050	47.8
107.08601	41.6
109.02872	10.1
109.06522	8.9
109.10167	32.7
111.04435	18.3
111.08057	6.5
117.07012	10.7
119.08582	68.1
121.06483	10.4
121.10181	32.1
123.08057	13.2
123.11726	12.8
129.07014	7.1
129.09016	6.6
131.08566	19.2
133.06572	11.0
133.10126	54.7
135.08052	7.2
137.09645	5.8
143.08575	11.1
145.02855	5.3
145.10103	31.9
147.08037	13.2
147.11710	16.0
149.09601	13.6
151.07501	7.6
156.91000	4.4
157.10123	24.3
159.11678	32.3
161.09624	15.3
161.13281	9.3
163.11229	6.0
165.09151	10.2
166.70174	4.8
169.10078	8.3
171.11670	19.6
173.09625	13.1
173.13268	18.8
177.09154	5.8
185.09595	13.2
185.13261	7.4
187.11162	20.0
187.14783	9.4
189.09219	9.1
199.11150	6.5
201.12715	12.1
205.12297	6.8
205.15843	5.9
207.10167	5.4
219.13783	16.3
225.16418	6.0
231.13788	6.7
241.19415	9.1
251.17961	6.8
255.17386	15.4
269.18958	19.3
273.15176	5.5
273.18359	8.9
279.17551	7.7
287.19962	11.6
297.18466	36.0
301.21646	10.4
315.19662	31.2
329.21191	29.5
347.18396	9.6
347.22211	100.0
348.21991	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	347.222
Annotation	Ceriopsin E
Peak:m/z	Relative Intensity
51.70105	1.8
51.94928	2.0
52.38374	1.9
53.03921	3.0
55.01874	2.7
55.05508	7.9
56.96574	1.9
67.05508	17.2
69.03435	6.0
69.07074	26.4
71.60583	3.5
72.08147	3.9
73.06548	6.9
79.05489	10.4
81.03423	3.9
81.07055	22.4
83.04998	4.7
83.08612	4.2
84.04492	5.7
84.08272	1.8
85.06534	3.0
91.05484	16.9
92.25243	2.1
93.07052	18.8
95.04976	6.4
95.08614	46.4
97.02895	7.7
97.06529	10.8
103.05477	2.7
105.07037	37.2
107.08601	31.8
109.02897	12.8
109.06523	7.6
109.10162	23.2
111.04444	11.0
111.08092	4.6
113.05994	2.2
115.05477	2.6
117.07027	8.6
119.08582	51.9
119.80068	2.3
121.06536	5.9
121.10153	21.9
123.08092	12.4
123.11720	9.4
128.06241	4.3
129.07001	5.8
129.09103	6.5
130.07808	2.2
131.04909	6.4
131.08589	13.9
133.06500	10.4
133.10144	30.2
135.08054	8.6
135.11705	7.5
137.05960	3.3
137.09622	4.0
141.06956	2.4
143.08569	9.0
145.06505	5.4
145.10146	22.9
147.08051	15.0
147.11752	10.8
149.09613	5.4
151.11174	2.2
155.08607	3.2
155.10692	4.8
157.10106	13.8
159.08018	4.4
159.11702	23.5
161.09650	11.3
161.13260	6.3
163.07635	4.0
163.11246	10.2
165.09154	10.9
169.10114	10.3
171.08118	2.7
171.11723	13.4
172.08920	2.8
173.09618	4.7
173.13257	13.7
175.07487	2.3
175.11226	4.1
175.14842	2.4
179.10670	5.0
181.06589	2.3
181.10097	3.0
183.11755	5.8
185.09613	7.9
185.13277	6.3
187.11176	20.1
187.14874	3.6
189.09164	9.6
191.10696	5.9
191.14441	2.3
195.11711	5.3
195.13681	2.1
197.13174	2.6
199.11197	6.1
199.14867	5.3
201.12773	5.9
203.10664	2.3
205.12236	6.2
207.10185	6.8
209.09898	2.4
209.13322	2.8
211.14799	4.4
213.12701	3.5
213.16376	4.5
215.10617	4.6
215.14343	2.2
217.12277	4.5
219.13809	7.7
221.11755	7.9
227.14250	2.7
227.17926	9.7
231.13792	2.7
236.62973	2.4
237.12706	2.8
237.16373	5.6
239.12819	7.7
241.19507	4.1
244.03734	2.2
245.11818	2.8
251.18073	3.9
253.15924	4.2
255.11302	4.2
255.13789	3.1
255.17497	10.1
261.16620	2.6
269.19025	16.9
273.15002	2.5
273.18619	6.6
279.17545	7.9
287.05579	2.4
287.20169	7.8
297.18549	27.5
301.10657	8.6
301.18466	2.8
301.21582	11.0
315.19547	25.7
329.17557	5.2
329.21075	25.4
347.18839	4.3
347.22198	100.0
348.13101	3.0
348.22354	4.9
348.28976	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	347.2218
Annotation	Ceriopsin E
Peak:m/z	Relative Intensity
55.05508	7.0
55.46741	3.2
59.04988	3.5
67.05491	14.7
69.03421	7.7
69.07070	27.2
70.58110	13.5
73.06537	6.9
79.05478	10.5
81.07068	18.2
83.08612	4.3
91.05490	10.3
93.06538	3.9
93.07028	19.5
95.04962	3.9
95.08614	39.2
97.02905	5.3
97.06538	12.0
105.07043	32.4
107.08593	24.0
109.06531	3.4
109.10168	18.0
111.04451	11.4
112.01434	3.8
117.07024	6.2
119.08583	39.8
121.10149	20.0
123.08066	9.5
129.09111	7.9
131.08560	8.8
133.06503	11.5
133.10135	30.3
135.08076	6.2
135.11691	6.9
143.08565	6.7
145.10155	16.9
147.08052	11.1
147.11722	7.5
155.08611	5.0
157.10092	16.5
159.11716	14.2
161.09637	5.1
163.11180	6.4
165.09119	13.4
169.10112	7.1
171.11659	8.1
173.09691	9.7
173.13284	9.2
177.09106	3.6
181.78838	3.5
185.09630	7.6
185.13257	10.3
187.11136	18.2
189.09117	4.9
191.10655	8.7
199.11230	6.7
199.14870	5.8
201.12756	7.4
205.12152	4.8
207.10246	4.8
211.14824	5.0
213.12848	5.0
219.13878	10.3
221.11723	7.3
227.17940	4.8
237.16476	4.4
241.12308	5.9
251.17879	6.0
255.17406	9.5
269.18961	14.4
273.18582	10.9
287.20117	7.8
297.18518	28.2
301.21552	10.6
315.19534	25.7
329.21075	15.2
347.22192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	Ceriopsin E
Peak:m/z	Relative Intensity
55.05516	10.4
57.07071	2.4
59.05000	3.3
67.05508	17.3
69.03444	4.9
69.06725	2.3
69.07076	27.2
70.92241	6.4
70.92607	2.2
71.76246	2.2
73.06548	4.8
79.05481	9.0
81.07053	23.6
83.08603	6.1
87.08094	5.2
91.05479	13.3
93.07040	19.4
95.04969	5.6
95.08046	4.4
95.08607	43.5
97.02885	6.7
97.06525	8.0
105.07029	30.9
107.04997	3.0
107.08591	28.0
109.06524	5.2
109.10167	25.5
111.04443	9.2
117.07017	6.3
119.07792	4.3
119.08582	54.6
121.06476	4.3
121.10151	18.8
123.08062	8.7
123.11694	8.2
124.08871	2.5
125.09608	2.7
129.06996	3.7
129.09131	6.7
131.08606	17.1
133.06502	12.5
133.10133	29.9
135.04439	2.2
135.08006	6.8
135.11687	5.0
137.09587	4.1
137.13365	2.2
138.88274	2.2
142.07791	2.6
143.08551	9.9
145.10141	19.3
147.08102	11.5
147.11723	6.8
149.09604	6.0
155.10631	5.1
156.09335	3.2
157.10118	17.2
159.08009	4.7
159.11708	23.1
161.09644	14.8
161.13281	5.5
163.07597	4.6
163.11171	4.9
165.09117	9.3
167.10773	3.0
169.10121	6.9
171.08127	2.5
171.11699	16.3
173.09593	6.9
173.13263	10.0
175.11179	4.5
175.14807	3.8
179.10655	4.4
180.09253	2.1
181.10092	2.4
183.11678	2.5
185.09634	12.6
185.13271	6.4
187.11200	21.4
187.14815	4.2
189.09105	11.6
191.10677	3.2
195.11560	3.7
195.13814	2.4
197.13246	3.2
199.11195	5.9
199.14813	6.2
201.12750	9.4
203.10727	5.0
205.12247	9.1
207.10173	5.9
209.13387	5.5
211.14864	4.1
213.12717	5.1
216.46480	2.1
219.13747	13.5
221.11780	7.1
223.11336	2.4
225.16360	2.7
227.17969	8.9
229.50885	2.4
231.13771	3.8
231.19930	2.3
232.75307	2.2
237.12848	2.0
237.16423	5.6
239.12724	6.0
241.12132	2.5
241.19583	5.3
251.17932	6.6
253.15857	4.3
255.13988	2.7
255.17451	11.5
259.13428	2.9
269.19034	18.4
273.14963	3.3
273.18423	5.9
279.17429	9.0
287.20084	8.8
297.18503	34.0
301.21622	11.2
315.19592	27.7
328.31033	2.7
329.17526	5.2
329.21051	21.1
334.23624	2.5
347.18564	6.9
347.22180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	Cespihypotin P
Peak:m/z	Relative Intensity
53.03954	4.8
55.05513	32.8
57.07052	6.8
67.05496	27.4
69.03419	6.6
69.07074	25.2
70.36792	16.2
79.05506	24.0
81.07059	34.7
83.08604	9.6
91.05473	28.7
93.07044	41.4
95.08608	68.7
97.10169	17.4
105.07037	52.3
107.04945	6.3
107.08595	53.8
109.06502	4.5
109.10162	26.4
111.04452	4.3
117.06998	7.4
119.08578	73.6
121.06538	5.5
121.10132	59.7
123.08111	5.0
123.11698	17.3
129.07025	11.3
131.08578	28.6
133.10121	75.6
135.04434	5.2
135.08105	9.7
135.11710	25.2
137.13255	4.4
139.03941	8.9
142.07864	4.1
143.08556	19.0
145.10118	47.4
147.08064	7.2
147.11690	45.1
149.13248	16.2
151.07445	7.5
153.05524	4.8
155.08504	8.1
156.09303	5.0
157.10100	26.0
159.11656	35.5
161.09654	5.5
161.13217	18.8
163.14827	12.2
169.10124	4.7
171.11674	25.4
173.09639	11.3
173.13269	13.6
175.07565	8.3
175.14813	8.0
177.09070	6.4
181.10100	7.0
183.11681	9.2
185.09621	5.9
185.13257	28.9
187.11215	9.1
187.14833	65.4
189.09058	6.6
189.16376	15.4
191.10683	10.5
195.11728	11.6
199.11151	11.8
199.14832	10.8
201.09099	8.8
201.16377	4.7
203.10666	14.2
203.17973	85.6
205.12210	14.2
209.13287	6.0
213.09181	5.4
213.12708	8.8
215.10626	10.0
217.12231	17.1
219.10176	6.2
219.13852	9.4
227.10645	9.7
227.14406	6.7
227.17976	35.0
231.13797	17.1
233.11710	9.5
241.19505	53.5
243.21091	28.9
245.15311	5.2
251.18008	13.4
255.13927	6.8
259.13187	6.2
269.18982	46.9
273.14807	6.9
277.14301	11.6
279.17380	9.3
287.20068	81.7
297.18481	65.0
301.21588	54.7
308.17035	5.0
311.20062	7.2
315.19537	100.0
318.28357	3.9
329.21088	54.3
347.06668	4.6
347.18292	8.0
347.22180	63.7
347.25986	10.4
354.16989	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2214
Annotation	Cespihypotin P
Peak:m/z	Relative Intensity
50.86590	3.9
52.45494	4.3
54.56163	4.0
55.05505	24.9
57.07051	8.2
65.76356	4.0
67.05487	17.9
69.07065	27.5
79.05473	19.2
81.03391	4.7
81.07054	25.3
83.04954	6.1
83.08610	15.6
91.05482	21.2
93.07041	45.4
95.04935	5.2
95.08596	60.8
97.10163	11.5
105.07020	37.2
107.08594	49.1
109.06513	8.5
109.10187	22.1
110.07214	5.0
111.04431	6.5
111.23917	4.6
117.07007	6.4
119.08588	59.9
121.10155	43.1
123.08030	5.7
123.11657	10.7
127.03914	6.1
128.06187	6.6
129.06987	5.8
131.08562	16.7
133.06500	8.7
133.10130	59.3
135.08069	22.1
135.11671	19.8
136.08682	12.4
137.13264	6.1
139.03850	10.4
143.08542	19.4
145.10121	38.5
147.07996	5.6
147.11664	40.6
149.09619	5.8
149.13229	8.0
155.08627	6.1
157.10129	27.0
159.11751	29.3
161.09642	6.3
161.13231	19.9
163.14824	9.7
169.10069	5.5
171.11681	26.3
173.09569	8.6
173.13269	16.0
177.09076	11.5
182.09241	7.8
185.09737	7.6
185.13271	23.4
187.14816	24.1
189.16380	16.5
191.10646	11.3
195.11711	7.6
197.13177	5.4
199.11159	12.1
199.14824	6.3
201.09093	12.8
203.17941	59.0
205.12195	11.5
209.13216	7.8
213.12703	6.6
215.10596	6.6
217.12289	15.6
223.14758	6.2
225.16339	5.1
227.10606	8.8
227.14256	6.2
227.17924	23.4
231.13820	14.8
233.11835	8.3
241.19516	44.4
243.21031	13.6
245.11664	7.0
251.14314	7.9
251.17986	9.1
255.13701	5.5
259.13303	7.4
269.18961	45.8
273.14877	5.1
277.14273	11.1
279.17383	11.3
287.19974	50.6
297.18481	60.3
301.21594	73.5
311.19974	15.0
315.19467	75.7
319.56943	4.7
329.17474	6.3
329.21060	77.1
329.24631	6.1
347.18286	8.0
347.22073	100.0
347.25998	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	347.1854
Annotation	Heteroplexisolide B
Peak:m/z	Relative Intensity
53.03947	5.2
55.01874	8.8
55.05509	14.2
57.07056	4.2
63.75417	4.7
67.05517	21.3
69.03433	19.3
69.07058	17.3
70.54375	5.1
70.54713	17.9
71.04983	6.8
71.17207	4.3
74.52515	4.5
79.05488	30.3
81.03421	17.0
81.06646	4.4
81.07051	28.1
83.04980	11.8
83.08624	8.0
84.04534	8.1
85.02903	9.7
85.06527	6.2
89.79736	4.3
91.05483	36.3
93.07043	43.3
95.04965	13.8
95.08606	29.4
96.29803	4.1
97.02895	23.3
97.06521	9.9
98.21416	5.0
99.04446	8.2
105.07024	56.1
105.15298	4.7
107.04965	22.0
107.08582	39.0
109.06526	15.6
109.10156	15.7
111.04449	18.8
111.08104	5.3
115.05481	4.7
117.07007	25.6
119.08603	54.0
120.08143	5.3
121.06515	42.1
121.10164	26.3
123.08089	8.5
123.11716	4.1
125.06016	16.7
128.06230	5.4
129.07010	15.6
131.04919	5.8
131.08562	33.0
133.06500	17.1
133.10127	38.2
135.08070	18.2
135.11717	7.2
137.05966	12.3
139.03949	6.9
141.07019	9.9
142.07794	16.0
143.08575	29.5
145.06487	25.3
145.10135	41.9
147.08119	12.6
147.11696	51.9
149.06007	22.5
149.09660	8.7
149.13309	5.3
151.07565	5.5
153.05507	12.9
153.07057	5.2
155.08559	19.2
156.09352	12.9
157.06503	7.1
157.10127	61.5
158.10936	7.3
159.08075	15.3
159.11670	34.4
161.05980	6.3
161.09616	14.1
161.13278	9.3
163.07599	14.6
167.07167	6.7
167.08586	10.8
169.10158	27.1
170.10950	12.3
171.08063	17.4
171.11696	52.2
171.14108	5.1
173.09680	15.0
173.13284	21.3
175.11162	22.2
175.14798	6.1
179.08554	8.5
181.10143	17.2
182.10919	5.9
183.08080	6.0
183.11707	37.1
184.12328	5.0
185.09608	22.5
185.11714	6.2
185.13220	34.3
187.11212	29.8
189.09140	7.0
189.12779	15.4
193.10182	7.2
193.12230	5.6
195.11664	17.9
197.13254	19.4
198.10294	5.4
199.11201	16.5
199.14868	8.5
201.09088	9.2
201.12758	8.2
203.10666	30.7
205.12161	22.4
207.11717	9.7
208.12477	8.5
209.09465	5.5
209.13243	32.3
210.14009	12.6
211.11211	17.8
211.14842	15.7
212.11919	5.3
213.09026	10.2
213.12744	11.2
213.16455	12.4
215.10735	13.3
215.14166	7.6
217.12282	14.0
219.13905	7.7
223.14806	29.8
225.12737	7.0
225.16431	9.2
227.08456	5.9
227.10657	9.6
227.14275	37.6
229.12289	16.8
231.13858	19.5
236.12135	6.0
237.16373	15.0
239.17882	6.1
241.15956	18.0
245.15453	31.0
249.14888	11.8
251.14442	23.4
255.11258	5.1
255.17410	15.2
265.15894	13.6
269.09332	10.6
269.15372	68.5
270.15891	5.3
273.18652	5.5
283.10840	9.7
283.17017	40.2
285.18494	6.9
287.16467	56.0
293.15421	9.4
301.10858	16.7
301.17999	23.0
311.10312	21.0
311.16318	25.1
329.11484	31.3
329.17468	100.0
330.17725	7.9
339.03339	4.8
347.12308	58.0
347.18567	78.2
348.12726	10.5
353.82742	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	347.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74040	5.1
53.03946	10.8
55.01865	17.0
55.05514	31.0
56.96568	9.7
57.03432	10.7
59.04992	5.1
60.04521	7.1
61.02913	17.1
61.29386	4.4
65.03945	8.5
67.05509	35.7
68.99759	11.0
69.03430	59.0
69.07059	17.3
69.68617	32.2
70.06595	7.8
71.04993	22.8
72.08131	6.5
72.18233	4.8
73.02926	10.9
79.05481	29.5
80.53314	4.7
81.03423	60.9
81.07062	78.7
83.04979	100.0
83.68151	6.1
84.04501	10.6
84.08140	6.7
85.02895	74.7
85.06532	17.6
86.09695	15.9
87.00832	20.7
91.05486	45.1
93.07040	87.9
95.01347	6.2
95.04980	36.9
95.08598	30.7
97.02876	36.7
97.06532	26.8
98.21452	10.4
99.04463	81.0
99.08089	19.8
103.03944	12.2
103.62428	4.6
105.01847	10.3
105.03410	4.8
105.07030	45.2
107.04983	14.7
107.08578	50.0
109.02901	30.9
109.06522	34.6
109.10126	25.9
111.04459	12.1
111.08079	48.7
115.03902	6.6
117.07017	14.3
119.04905	4.8
119.08553	28.5
121.02859	7.9
121.06515	34.3
121.10146	42.1
123.04414	37.3
123.08068	56.9
125.06015	8.5
125.09615	11.7
126.98197	4.8
127.03941	38.5
127.07513	7.3
128.06221	6.7
129.01834	10.5
129.06995	6.7
131.04895	8.4
131.08568	18.9
133.10138	20.1
135.08061	20.8
136.08859	23.3
137.05963	24.6
137.09596	34.2
138.02185	9.5
138.06371	5.6
139.07518	16.0
139.11192	7.8
141.05367	5.8
141.09138	10.2
143.08554	11.6
145.04974	9.8
147.03030	5.6
147.04401	11.3
147.08064	27.2
149.05925	6.6
149.09621	22.4
151.03918	12.4
152.67363	5.5
153.09045	6.3
159.02875	7.3
161.09663	34.0
163.07516	6.8
165.09105	49.6
167.07146	10.9
167.10654	89.1
169.04999	5.5
171.08014	9.1
177.00623	5.7
185.11739	16.1
187.05937	6.5
189.09122	64.6
193.12180	7.8
207.10179	61.8
225.11230	10.5
241.09698	9.5
243.05801	5.1
243.12228	6.4
244.07948	8.9
293.10172	9.9
301.10928	8.9
311.11243	14.2
329.12424	25.8
347.12387	47.9
365.10257	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1239
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
51.31569	0.4
55.01877	2.4
71.22123	1.0
86.09708	0.5
108.04478	0.7
110.06045	0.6
117.94158	0.5
134.06041	0.8
138.05530	0.6
144.08051	0.5
152.03435	0.9
160.03972	0.6
161.04825	0.5
167.07327	0.5
174.09077	0.4
176.07062	0.8
178.05014	1.8
182.09572	0.9
184.06216	0.5
184.07654	0.7
185.07095	1.1
185.10716	0.6
187.05003	1.3
196.07578	0.6
197.07031	1.0
199.08698	3.4
200.10727	0.6
201.06552	2.7
201.10236	1.3
205.06096	0.7
210.09218	0.5
211.08708	1.2
212.07231	0.4
212.09178	0.6
213.06613	3.2
213.10156	3.2
213.43034	0.4
223.08455	0.6
227.08160	5.1
227.11728	2.1
228.10454	0.5
229.09705	2.9
231.07677	3.4
237.10254	1.8
238.08662	1.1
239.08234	1.1
239.11826	0.5
241.09665	4.8
243.07555	0.5
243.11230	0.6
245.09215	0.9
251.08211	0.5
255.07631	6.9
255.11282	5.1
257.09174	1.8
257.12863	1.5
259.07193	0.7
259.10965	0.5
265.09726	3.1
267.07663	1.3
267.11008	0.5
269.09219	6.5
270.09576	0.5
273.08734	4.0
273.12076	0.8
275.14026	0.6
283.07544	0.6
283.10760	12.9
284.11209	0.9
285.12173	1.0
287.10367	2.2
293.09192	4.8
301.11877	2.6
311.10266	30.4
312.10632	1.4
319.12881	2.0
329.11331	49.8
330.11694	4.3
347.12384	100.0
348.12701	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	347.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
55.05515	0.7
67.05497	1.2
69.03424	1.1
69.07037	0.8
70.19886	3.3
72.64990	0.6
75.29180	0.6
79.05460	1.8
81.07037	0.9
91.05463	1.7
93.07027	1.7
95.04987	1.1
95.21078	0.7
97.02891	1.2
105.07021	2.2
107.04925	1.1
107.08582	2.1
108.04460	0.8
117.07000	0.8
119.08572	2.8
121.06493	1.7
121.10177	1.3
125.05972	1.3
129.06967	1.0
133.10124	1.1
133.46413	0.7
135.08040	1.6
137.06056	1.1
142.07831	0.9
143.08543	1.2
144.02721	0.9
145.06448	0.9
145.10126	1.6
147.11723	1.4
149.06027	1.2
152.03427	1.8
152.06779	0.8
154.06549	1.0
157.10095	2.5
159.11699	1.7
159.54883	0.7
160.04039	0.8
162.05511	1.2
168.06720	0.9
170.67267	0.8
171.11653	2.1
175.22774	0.9
176.07027	1.0
178.04997	2.3
181.10083	1.0
182.09679	0.9
183.11696	2.1
185.07039	1.4
185.13234	1.2
187.05042	2.0
187.11208	1.1
189.12698	0.8
196.07719	0.9
197.07094	1.0
198.07750	0.8
199.08705	5.0
201.06624	3.6
201.10318	1.4
203.10648	1.1
205.06171	1.5
205.12117	0.9
209.13290	1.2
210.09206	0.9
211.08665	1.7
213.06639	5.7
213.10214	4.8
213.34718	0.7
215.11766	0.8
223.09001	0.9
223.14885	0.8
225.06670	0.7
227.08194	8.7
227.11806	2.8
227.14241	1.9
229.09851	3.6
231.07671	3.6
237.10265	3.0
238.08609	1.7
239.08228	1.6
241.09746	6.1
241.16010	0.8
243.11423	1.0
245.09171	1.1
255.07703	8.6
255.11269	6.1
255.17188	0.9
257.09296	1.7
257.12906	1.3
259.10916	1.7
265.09784	4.3
267.07706	1.8
269.09222	8.2
269.15366	1.1
273.08759	4.4
273.11868	0.6
275.10260	1.1
281.15042	0.8
283.10785	21.6
283.16718	0.8
284.11267	1.4
287.10287	2.8
287.16467	1.8
293.09146	5.7
301.11966	4.5
311.10251	42.4
312.10651	2.2
319.12900	2.3
329.11340	64.5
329.16974	3.9
330.11588	4.5
347.12384	100.0
348.12656	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	347.124
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.03933	0.6
55.01863	1.9
55.05510	1.9
56.96560	0.7
59.16022	0.6
63.24545	0.6
63.52056	0.6
65.03933	2.1
67.05507	4.7
69.03433	1.1
70.94421	1.6
72.08147	2.1
79.05484	1.0
81.03407	0.8
81.07047	2.2
83.04977	4.0
85.02900	2.0
86.09725	0.7
91.05473	2.1
92.05004	9.4
93.07033	0.8
94.06570	0.8
95.04971	1.9
95.05584	0.6
95.08622	1.5
96.04504	2.1
97.02857	1.1
98.97601	0.8
105.07023	1.0
107.08556	0.7
108.04404	0.6
109.02849	0.6
109.06545	0.6
109.10191	0.5
110.05994	0.8
111.04449	1.1
120.04461	4.7
121.10144	1.2
122.06025	1.8
131.08572	0.8
134.06003	1.7
136.07594	1.6
137.05939	1.4
138.05522	10.5
139.09499	0.8
143.08571	0.6
146.06003	0.7
148.03941	1.0
149.09592	0.6
153.07007	0.9
157.08635	0.8
162.05504	1.6
164.07065	6.3
165.07251	0.7
166.04997	7.0
167.10677	0.7
170.09666	2.1
172.07642	0.8
176.07109	1.3
178.05034	1.8
182.08159	5.7
182.09627	1.0
183.06815	1.4
184.07649	0.7
184.11229	1.0
187.10809	2.1
188.11089	2.0
196.07645	1.4
198.09210	7.4
199.08720	3.0
201.06656	0.6
201.10205	0.9
208.06056	3.3
208.07756	0.7
210.09204	1.1
212.10715	1.7
213.06558	1.3
213.10217	7.3
214.08783	2.8
214.10739	0.9
215.08275	1.2
215.10252	0.7
223.81271	0.6
225.21385	0.6
226.08670	12.7
227.08084	5.2
227.11681	1.5
228.08708	1.0
229.09805	0.8
237.10228	1.0
238.08664	1.3
240.10344	5.3
241.09724	21.8
242.08224	1.1
242.10422	2.9
255.09000	0.7
255.11342	4.0
256.09647	3.4
257.09381	1.5
258.11273	1.5
259.10791	4.1
260.11646	1.6
265.09683	1.7
266.08005	1.0
267.11285	2.1
268.09760	5.7
269.09296	4.9
273.11731	0.6
275.10147	0.7
283.10712	5.5
284.09088	3.8
286.10825	4.1
287.10245	11.5
301.11874	11.7
311.10193	4.7
319.12936	4.6
329.11252	5.0
330.09348	1.4
347.12381	100.0
348.13055	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	347.0759
Annotation	Taxifolin 3-O-acetate
Peak:m/z	Relative Intensity
52.55537	0.3
55.01873	0.5
55.05500	0.5
61.27747	0.3
67.05512	1.8
68.99788	0.9
69.03407	0.5
69.07061	0.6
69.57319	2.7
71.04995	0.3
79.05490	0.6
81.03418	0.5
81.07043	0.7
81.18410	0.3
83.04974	0.3
91.05452	1.0
93.07034	1.3
95.04944	0.9
95.06034	0.3
95.08601	5.1
97.06548	0.4
105.07001	1.1
107.04917	0.4
107.08559	0.9
107.46716	0.3
108.02102	0.3
109.02862	0.8
109.06492	0.5
109.10151	0.5
111.04425	0.7
119.08580	1.2
121.02885	0.7
121.06490	0.9
121.10123	0.5
123.08054	4.3
123.11636	0.4
129.05467	0.3
131.08546	0.5
133.10123	1.1
135.11710	0.3
137.05942	0.4
141.05447	0.5
143.08568	0.5
144.52919	0.3
145.10104	0.7
147.08060	0.4
149.05911	0.3
149.09630	0.4
151.03899	14.7
151.04977	0.7
153.06963	0.3
157.10052	0.7
159.11714	0.3
161.09587	0.4
163.00264	0.7
165.09081	0.5
169.10196	0.5
171.11646	0.4
173.09630	0.4
173.13303	0.5
181.01280	1.4
187.03922	0.4
188.04640	0.6
192.38884	0.4
196.23735	0.3
199.11015	0.3
201.09045	0.3
209.00806	2.4
213.08910	0.4
213.12703	0.4
215.03397	0.5
216.04190	2.9
217.04930	0.6
223.02383	4.2
227.03407	1.2
230.34315	0.3
243.02872	5.9
243.06519	0.3
244.03662	13.2
245.04327	1.3
251.12650	0.3
255.02861	5.1
256.03656	1.2
259.05927	2.0
265.15570	0.3
269.15341	0.4
272.03168	8.7
273.03748	0.4
283.02362	4.7
283.16840	0.5
287.05484	100.0
288.05948	4.8
300.02716	0.4
301.17978	1.0
311.16443	0.7
315.04968	5.3
329.17496	1.3
336.12115	0.5
347.07611	3.7
347.14676	0.4
347.18478	0.6
347.22290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
57.07078	6.1
58.06599	1.4
69.07058	0.3
70.06593	13.6
71.08625	2.9
72.08160	1.5
80.92798	0.3
81.07035	0.4
84.08135	0.3
85.10163	1.0
86.09689	0.4
88.07632	17.4
96.71912	0.3
102.09179	11.3
112.75293	0.3
120.08083	1.5
120.27308	0.3
132.10158	0.9
133.10141	0.3
146.11722	0.5
150.11249	0.9
162.10089	0.3
182.16997	0.3
219.14926	0.5
240.26826	0.7
247.14316	0.3
258.27951	0.3
266.28271	0.3
284.29480	36.5
285.29752	2.2
328.32056	2.9
346.33163	100.0
347.26633	0.5
347.33499	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	346.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.05035	9.2
57.07079	6.3
58.06598	5.6
58.38234	0.4
60.04523	2.0
67.05501	0.8
68.05009	0.5
69.07071	1.0
70.06591	0.9
70.35146	1.5
70.35496	0.6
71.08628	3.4
74.06077	9.8
79.05507	0.7
81.07037	1.7
83.08618	0.6
85.10193	1.5
86.06054	1.6
88.07630	32.9
89.07317	0.5
89.07918	0.5
91.05482	0.6
93.07048	1.0
95.08572	0.8
104.07084	0.5
105.06992	0.6
106.13168	0.4
107.08594	1.0
108.25521	0.4
113.00033	0.7
118.08656	6.8
119.04926	0.4
119.08568	0.8
121.10149	0.6
122.08134	4.1
133.10150	0.6
135.08052	1.1
143.08498	0.5
145.10094	0.7
169.02617	1.1
172.12077	0.4
205.93927	0.4
244.50635	0.4
266.28464	0.6
284.29398	1.2
298.31055	28.6
299.31332	2.6
310.30939	0.6
314.18457	0.9
325.53043	0.5
328.32111	2.3
329.17291	0.4
346.06332	0.7
346.33182	100.0
347.21960	17.0
347.25821	1.2
347.33478	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	346.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28027	11.9
69.07080	13.7
70.89506	14.5
71.15299	17.7
71.15636	29.1
73.35921	12.8
81.07069	29.2
86.00467	13.8
95.08615	50.1
97.06549	15.5
109.10160	23.7
111.65942	13.4
119.08611	19.3
121.10118	19.0
133.10159	22.1
147.11620	15.5
245.22701	14.8
259.24228	56.8
287.23740	51.1
303.50922	13.7
305.24783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	43.0
57.03439	9.1
58.03942	5.6
67.05510	84.7
69.07065	25.5
69.47370	31.5
69.47800	19.0
71.04987	6.2
79.05502	39.5
81.03425	7.1
81.07061	80.5
83.04979	8.6
83.08597	21.0
91.05495	30.5
93.07048	55.3
95.04964	17.2
95.08619	40.8
97.06518	16.5
97.10172	9.2
98.97619	10.0
99.46380	5.4
105.07039	33.0
107.08595	48.4
109.06518	8.0
109.10159	43.6
111.08071	8.3
117.07001	7.5
119.08575	24.3
121.06510	7.9
121.10123	16.3
123.11768	7.9
125.09635	14.0
131.08566	16.8
133.10138	22.4
135.11671	17.6
137.09644	6.5
145.10065	9.7
147.11699	10.4
149.09669	8.5
149.13271	15.6
155.10687	8.0
159.11687	20.2
161.13223	6.2
163.11156	7.5
173.11778	75.3
173.13176	9.3
177.12688	6.0
189.11197	25.0
195.13873	49.0
213.14838	31.0
235.16907	21.7
257.18994	9.4
275.20105	100.0
276.20514	5.4
293.21097	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2336
Annotation	Leu Ile Thr
Peak:m/z	Relative Intensity
55.01845	0.4
55.05512	0.9
56.05022	1.2
56.96561	1.5
57.57394	0.4
58.06586	0.7
60.04508	0.7
62.83163	0.4
67.05488	0.9
69.03425	0.8
69.06721	0.5
69.07067	5.0
70.06587	1.8
71.04989	0.7
71.57825	0.5
72.08163	3.6
74.06081	2.4
79.05477	0.5
81.03426	0.8
81.07055	1.4
82.06580	0.5
84.04498	0.9
84.08147	1.3
85.02904	1.7
86.09707	100.0
87.10043	1.9
91.05473	1.0
93.07045	0.8
95.08587	0.5
97.02889	1.9
98.97623	1.7
99.04482	0.5
102.05545	0.5
105.07053	0.7
107.08569	0.8
109.02883	0.8
109.06516	0.5
111.04432	0.4
116.07115	1.9
116.98618	1.0
119.04934	0.5
120.06597	2.0
120.08106	0.6
123.53909	0.4
125.09641	0.6
127.03919	6.7
129.10240	1.0
130.04987	0.8
133.10161	0.4
134.99648	0.5
135.04369	0.6
137.06010	1.2
138.06372	0.7
139.11124	0.4
139.25948	0.4
144.06531	0.6
145.01695	0.5
145.05026	0.6
147.04430	1.0
149.01234	0.4
163.03893	0.9
166.08595	0.5
177.05467	0.8
185.04927	0.5
187.14372	0.5
192.67639	0.4
199.18060	27.0
200.18456	0.8
203.05937	1.6
203.13976	1.7
215.13931	2.3
221.07085	1.0
227.17552	13.4
233.15056	2.2
239.13937	1.3
243.13541	0.6
300.12540	0.5
316.01718	0.5
328.22366	3.3
331.04047	0.7
346.06531	1.2
347.09756	0.8
347.13297	0.9
360.09970	0.6
365.11465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05510	8.1
55.24480	0.6
56.05027	1.5
56.96559	0.8
57.03423	1.0
60.04527	1.0
61.02949	0.8
61.68797	0.6
67.05495	0.8
69.03421	2.1
69.07066	1.9
70.02943	0.9
70.06590	0.9
71.04985	0.6
71.24079	1.4
72.08155	76.2
73.02902	2.3
73.08480	1.2
73.22119	0.6
74.06075	1.1
77.11647	0.5
79.05489	1.7
81.03387	0.8
81.05801	0.6
81.07076	2.9
82.06579	5.1
83.04976	5.6
84.04490	2.2
84.08136	1.3
85.02903	3.2
85.04020	2.0
86.09706	51.0
87.10034	0.8
88.03472	1.2
88.03989	16.0
91.05475	3.1
92.04991	0.7
93.07056	1.7
94.06564	0.9
95.08601	0.9
96.08158	3.8
97.02889	0.9
97.06533	0.7
97.07629	1.1
98.02408	5.3
98.97569	2.2
99.09203	2.8
100.03958	1.3
100.40950	0.7
101.06009	0.6
102.05536	1.4
104.07091	2.3
105.07024	0.8
107.04951	1.1
107.08583	1.3
109.06538	1.2
109.10176	0.8
110.02406	0.6
111.08079	0.8
113.10777	1.6
114.05515	0.7
116.98600	1.9
118.08666	3.4
119.08552	0.8
121.10147	0.6
124.07584	3.0
127.03932	1.3
127.08675	16.8
128.07103	4.1
129.10252	0.8
129.56703	0.6
132.09219	0.7
132.10199	10.1
134.99657	0.9
135.11668	0.6
137.05966	2.3
137.09601	0.8
138.06358	1.3
138.09134	2.3
141.10220	6.5
142.08635	26.9
142.09744	1.4
145.02901	0.7
149.09608	1.8
152.07077	1.0
155.11803	0.8
156.10176	4.4
157.08595	2.5
158.99655	0.9
167.07080	0.8
167.10669	2.1
169.09717	6.8
170.08134	3.4
170.10030	0.7
173.01300	0.7
177.00728	1.3
177.05498	1.0
183.11293	2.6
184.09671	1.3
185.16464	0.7
187.10777	100.0
188.11136	1.7
191.02339	0.8
197.09256	1.0
197.12917	0.9
201.12340	42.8
202.12630	1.1
203.13911	1.5
211.10924	0.6
213.15895	0.9
215.10274	34.5
215.13870	1.6
219.01732	1.1
225.12270	0.6
226.08788	0.7
229.11832	12.4
231.17044	1.9
232.24490	0.7
238.24243	0.7
240.10344	0.6
243.13515	0.8
247.12947	0.8
284.15244	0.9
328.18744	1.1
346.06326	1.6
346.19888	1.3
347.12308	3.9
366.15674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1975
Annotation	Leu-Val-Asp
Peak:m/z	Relative Intensity
53.03954	1.0
55.05509	13.8
56.05032	2.2
56.52228	1.0
56.96577	2.4
57.03432	2.2
60.04520	5.5
61.02920	1.5
67.05481	2.3
69.03423	4.3
69.07068	5.5
70.01341	5.5
70.06589	5.8
71.04992	3.6
72.08155	100.0
73.02908	1.8
73.08482	2.5
79.05490	6.6
81.03413	3.9
81.07053	7.9
82.06576	1.8
83.04983	7.0
84.04501	17.1
84.08153	3.5
85.02908	13.2
86.09705	80.5
87.04468	1.3
87.10060	2.8
88.04000	9.3
91.05479	9.5
92.05827	1.6
93.07030	3.9
95.04986	2.8
95.08614	3.7
96.08142	3.6
97.02346	1.0
97.02899	5.6
97.06532	2.1
98.02404	1.7
98.09702	1.2
98.97584	5.1
99.04449	1.7
101.06041	1.2
102.05531	5.6
102.09179	1.3
104.07101	24.2
105.07025	2.8
106.06557	1.4
107.04955	33.2
107.08611	2.7
109.06533	2.3
109.10172	1.7
110.02401	1.1
111.04485	2.3
115.97517	1.0
116.01669	1.3
116.07092	2.9
116.98647	3.8
120.08115	2.5
121.06523	2.9
121.10122	1.9
123.08111	1.8
124.07571	2.1
125.09624	1.9
127.03899	3.3
127.08685	5.1
128.07077	1.9
128.10692	1.3
129.06599	2.0
129.10274	1.8
131.04948	6.1
131.08562	19.4
132.10204	14.0
133.10127	1.8
134.08180	2.6
134.99658	1.8
136.07576	1.8
136.11253	1.1
137.05975	6.8
137.09619	2.2
138.06331	2.7
141.06616	1.1
141.10246	3.1
141.42287	1.2
142.08632	8.0
144.06578	4.9
145.04991	2.5
147.04379	2.0
148.07539	1.9
149.05986	21.8
149.09618	4.2
150.06329	1.4
150.64790	1.1
156.10173	2.3
157.13379	6.2
158.99600	1.4
161.01118	1.4
162.07625	7.0
166.08701	4.8
167.10658	6.6
169.09773	5.8
169.12175	1.3
173.01266	1.4
177.00726	3.3
183.11296	1.6
184.09660	1.5
184.13237	1.3
185.11603	2.2
185.16518	4.5
187.10779	39.0
197.12903	4.4
201.12325	13.0
213.16032	3.8
215.10280	34.0
215.13864	13.1
225.12302	1.7
229.11870	3.7
243.13403	6.4
244.99669	1.5
247.12932	10.8
258.38196	1.2
267.57956	1.1
328.18979	1.2
336.24625	1.1
346.06439	3.5
346.12341	1.6
346.19781	4.7
346.25955	1.9
347.12357	2.5
347.16669	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49469	0.9
55.01856	3.3
55.05499	3.6
56.05019	1.1
56.96556	3.7
57.03434	4.8
58.82215	1.1
61.02914	2.2
65.03927	1.2
67.05495	2.2
69.03420	6.0
69.07050	2.4
69.75767	6.4
70.06572	3.3
71.04996	6.9
72.08136	3.1
73.02920	1.4
74.06085	6.0
75.55091	0.9
79.05468	3.2
81.03400	2.6
81.07058	3.3
83.04999	2.0
83.09543	1.0
84.04501	1.5
84.96021	1.6
85.02906	28.2
86.09706	19.8
87.10042	1.8
87.58443	1.0
91.05480	100.0
92.05833	2.0
93.07038	4.9
95.04979	1.5
95.08597	3.3
97.02896	7.3
97.06547	1.4
98.97594	10.5
105.07026	9.2
107.04929	3.2
107.08560	3.2
109.02878	1.8
110.97553	0.9
111.04443	1.7
116.98613	6.9
118.08608	1.0
119.08551	2.3
121.06474	1.7
121.10163	1.6
123.04419	0.9
123.08011	2.0
127.03954	5.1
127.04694	0.9
128.98570	1.8
131.00159	1.7
131.08569	50.8
132.08914	1.0
132.10204	2.2
133.02875	2.1
134.99617	3.4
135.11731	1.5
137.05989	2.0
137.88921	0.9
138.05487	1.5
142.12236	2.6
145.04926	3.0
145.10123	1.8
145.23764	0.9
146.99635	0.9
149.01228	2.2
149.09618	71.1
150.10008	1.3
152.10686	1.5
158.99643	3.1
167.10660	1.5
169.13428	1.7
173.01184	2.6
177.00708	5.0
178.05093	1.1
184.13391	1.1
187.14394	9.8
191.02266	3.2
199.08678	3.6
201.00766	2.1
201.06602	1.3
202.98610	1.0
209.08044	1.2
210.09128	1.2
211.08818	1.4
213.06689	1.3
213.10190	1.7
215.13899	10.4
219.01781	2.4
224.09758	1.1
227.08147	4.5
227.11826	1.6
229.09737	1.6
231.07762	2.4
233.14932	2.7
241.09721	2.1
243.13443	1.4
244.99611	3.7
255.07579	5.3
255.11211	3.5
265.09674	2.8
269.09262	3.2
273.08649	2.1
283.10782	9.4
287.05777	1.4
287.10190	1.2
293.09229	2.6
301.11121	1.8
303.04913	5.6
304.13165	1.6
311.10245	21.6
329.11285	31.1
334.06427	2.5
345.57101	1.7
346.06345	3.7
346.13782	2.1
347.12305	57.3
347.16733	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	346.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.8
56.96560	16.2
67.05505	2.1
69.03431	2.1
69.07059	2.5
71.59441	1.9
71.59808	1.5
71.60172	1.6
79.05470	1.6
81.07042	3.3
83.08615	1.3
84.96030	7.6
91.05475	3.1
93.07041	1.9
95.08619	1.9
96.85612	1.2
97.02917	1.5
98.94091	1.2
98.97580	100.0
99.97933	1.3
108.05499	1.3
109.10177	1.2
110.97575	1.4
111.74931	1.2
112.99127	10.7
112.99769	1.6
116.98620	80.1
120.08148	1.5
124.95480	1.8
128.98572	3.1
131.00166	29.0
131.04959	1.4
134.99649	47.6
135.00653	2.7
137.05992	2.5
138.06343	1.6
140.00185	6.4
140.98566	1.6
142.96529	4.2
144.98077	3.3
145.02829	1.5
145.10187	1.5
146.99657	5.3
149.01228	32.9
153.00726	4.9
154.01779	2.6
158.01265	7.2
158.99641	33.9
159.00858	2.6
160.97586	11.4
162.99138	8.9
167.02293	5.5
172.02811	4.1
173.01222	43.7
177.00706	61.2
177.05428	1.3
178.98596	3.6
181.00121	1.8
184.97598	4.8
191.02266	59.2
195.01773	9.2
200.02303	8.8
200.03931	1.8
201.00688	16.6
202.98648	23.9
209.03299	2.5
214.03871	17.4
215.03871	1.5
219.01749	30.4
220.99690	4.5
226.00259	2.2
232.74712	1.3
237.02887	1.8
242.03363	6.2
244.99692	64.4
263.00726	21.6
268.01346	5.2
281.01813	3.2
282.02005	1.3
286.02380	7.2
287.05487	3.3
305.01743	2.1
314.03726	1.5
314.11084	2.2
323.02890	2.8
346.06342	3.9
346.13269	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.01867	3.4
55.05513	15.7
56.96551	1.5
57.03415	1.6
57.07085	10.1
59.04989	2.9
67.05508	20.4
68.54850	1.3
69.03430	2.5
69.07069	46.6
71.04994	4.3
71.08617	4.5
71.61554	2.1
73.06557	1.6
79.05483	13.8
81.07058	100.0
83.04987	1.7
83.08617	17.0
83.89076	1.4
85.06536	13.6
91.05478	7.6
93.07046	28.6
95.04959	3.4
95.08606	73.9
97.06508	7.1
97.10177	5.1
99.08102	6.0
105.07032	9.5
107.04957	3.3
107.08601	28.6
108.08955	1.6
109.06542	1.4
109.10154	25.7
111.08080	17.9
111.08776	2.0
111.11715	12.5
113.13213	1.5
114.70460	1.1
118.99604	1.4
119.08597	4.7
119.18700	1.5
121.10152	15.3
123.11710	35.9
125.13254	2.4
127.11137	3.0
128.06230	1.8
129.07005	2.3
131.04929	1.5
131.08580	1.5
133.06519	2.3
133.10114	4.5
135.11682	12.2
136.05197	1.7
137.05994	5.6
137.13257	30.9
137.14240	2.4
139.11221	2.1
147.11673	4.3
149.13266	23.5
150.06720	1.9
151.07565	12.8
151.14877	1.4
153.12744	16.0
155.14294	8.0
161.05969	3.7
161.13260	3.2
163.07574	3.3
163.14818	6.5
165.09094	10.6
165.12730	3.0
165.16466	1.7
167.14299	4.4
171.13817	1.3
173.15408	2.0
175.14626	1.6
177.00826	1.6
177.08873	1.6
177.16389	2.5
181.10275	1.3
183.56845	1.4
189.09125	5.6
203.17899	1.6
207.10138	1.8
209.09656	1.4
211.07541	1.6
217.19481	2.0
239.07126	1.6
241.12292	2.2
267.10223	2.4
267.13507	1.5
269.11670	2.7
273.25754	2.8
279.26941	5.0
291.26846	9.1
297.27744	2.9
299.13025	3.2
301.14484	6.9
309.27893	16.3
313.03525	1.4
313.10721	1.7
327.15997	2.0
327.29150	1.7
345.06058	3.6
345.13412	3.6
345.17145	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97887	2.6
52.63995	2.5
54.68741	2.6
55.01864	2.7
55.05507	16.4
56.96570	2.4
57.07064	11.3
61.82254	2.1
67.05498	24.7
69.03430	4.9
69.07069	50.4
69.42330	3.0
69.42731	21.4
71.04993	4.7
71.08626	6.8
79.05499	16.8
81.07061	100.0
83.08636	22.4
85.02882	2.7
85.06528	11.1
91.05477	11.2
93.07044	31.8
95.04957	5.4
95.08608	67.3
97.02888	3.7
97.06520	10.1
97.10172	6.7
98.20724	4.4
98.56412	2.4
98.97591	5.4
99.08077	5.4
105.07030	19.8
107.08591	31.0
109.10159	39.7
111.08079	15.7
111.11674	13.6
116.98630	5.7
119.08578	8.9
121.10131	20.0
123.11712	40.2
123.59921	2.5
131.00143	3.1
131.04915	3.8
133.10155	6.2
135.11705	21.0
137.05963	7.0
137.13278	26.5
147.04414	10.7
147.11710	13.8
149.01251	2.7
149.13277	19.9
151.07486	3.2
153.12743	16.0
155.14262	6.7
159.11769	3.2
161.13264	4.5
162.16016	2.7
163.14844	5.0
165.12769	12.6
171.13818	4.9
177.00732	3.9
177.16405	7.0
182.07216	2.8
183.13713	5.4
190.52939	2.8
203.18002	3.3
210.93265	2.4
244.99707	3.8
261.25763	3.2
273.25830	6.1
279.26746	7.0
291.26871	21.7
309.27893	7.2
345.06042	9.0
345.13348	9.7
345.20325	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2636
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.03934	4.0
55.01870	5.1
55.05508	28.7
57.03432	6.4
57.07065	4.8
59.04984	3.3
65.03953	3.2
67.05502	91.3
68.05831	2.5
69.06717	4.0
69.07063	47.6
69.30904	32.4
71.04996	32.1
73.06550	4.8
79.05486	59.4
79.05907	5.0
79.56682	2.6
81.03393	4.0
81.07055	100.0
83.04970	11.7
83.08620	17.4
85.06538	18.9
91.05465	30.3
93.07041	79.1
95.04955	10.9
95.08602	71.7
95.09067	1.8
97.02901	2.6
97.06519	13.0
97.10175	17.8
98.20696	5.4
98.97584	4.4
99.08089	22.1
103.05481	3.5
105.07022	27.3
107.04935	5.6
107.08598	49.8
109.06525	9.5
109.10160	38.2
111.08054	5.8
112.14568	2.9
115.07469	2.6
116.98609	4.8
117.06993	7.8
119.08572	26.7
121.06506	4.0
121.10137	77.7
122.02553	2.8
123.08071	9.0
123.11706	5.6
125.09630	14.9
129.07011	9.1
131.04947	7.2
131.08600	18.1
133.06523	4.3
133.10127	21.6
134.99631	3.2
135.08052	7.6
135.11688	56.6
137.05978	4.1
137.09631	5.1
139.11195	16.5
143.08549	8.8
145.10123	15.3
147.04404	3.9
147.08101	4.3
147.11696	13.6
149.09627	5.8
149.13222	21.5
151.11211	4.5
157.10124	12.6
157.12260	3.5
159.08008	4.2
159.11719	12.7
161.09674	3.9
161.13252	8.8
163.11226	7.6
163.14833	5.3
165.12732	4.3
169.10095	4.4
170.10754	3.4
171.11690	14.5
173.01196	3.4
173.09633	4.2
173.11723	7.4
173.13252	8.3
175.11259	4.2
175.14729	5.6
177.00786	3.3
177.12756	6.2
181.12259	3.6
183.11681	7.8
183.96272	2.8
185.11697	7.6
185.13261	8.1
187.11153	3.0
189.09198	3.4
189.11229	3.4
191.07062	6.7
197.13240	4.2
199.14851	5.4
203.12749	7.8
207.13898	3.7
211.14795	5.8
213.12636	4.2
215.10788	3.5
215.14201	4.0
217.14348	6.5
225.09145	4.4
225.16345	8.2
241.19481	7.7
242.02396	3.4
243.17346	6.2
249.57211	3.0
253.15912	6.8
259.20578	19.5
267.17377	9.6
271.16858	8.2
277.21649	61.2
278.21915	5.2
285.04047	4.9
285.11319	3.9
285.18457	9.8
287.01990	3.6
291.23172	11.1
295.09503	4.4
295.16870	7.7
295.22623	17.9
299.20029	3.3
303.61517	3.7
309.24176	14.4
313.03381	12.6
313.10672	23.6
313.13675	3.4
313.17926	12.0
314.11316	6.4
315.01358	7.7
317.21152	4.7
327.19623	5.8
327.25204	9.7
330.03638	13.6
336.00031	3.3
345.06082	39.5
345.13113	10.6
345.17035	5.3
345.20645	27.2
346.06488	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2062
Annotation	Ganomycin B
Peak:m/z	Relative Intensity
51.68169	3.3
55.05509	9.5
63.94468	2.8
65.03965	4.0
67.03437	3.0
67.05513	24.6
69.03411	5.2
69.07062	32.4
69.26610	10.2
69.27028	27.5
79.05497	7.9
81.07051	27.6
83.04984	7.3
83.08634	3.9
91.05492	17.2
93.07057	17.7
95.04974	6.4
95.08607	44.1
96.59191	3.1
97.06518	7.8
105.07042	25.5
107.08598	25.9
109.06503	3.4
109.10150	42.8
111.04429	6.8
117.07008	11.3
119.08575	57.9
121.06496	14.1
121.10139	12.6
123.08054	11.4
123.11682	10.7
129.06981	3.6
131.08572	13.4
132.36975	3.3
133.06529	7.3
133.10153	19.6
135.08076	9.2
135.11671	4.7
137.05966	4.8
137.09618	23.7
137.13255	10.9
139.03915	34.4
143.08557	7.4
145.10110	20.0
147.08049	5.0
147.11711	10.1
149.09579	3.3
149.13237	7.5
151.07545	4.4
151.11217	5.3
155.08597	5.1
157.10120	8.5
159.08084	6.0
159.11713	17.3
161.06065	3.3
161.13326	8.5
163.07578	6.1
163.11243	8.4
163.14857	5.0
167.07047	4.8
169.10135	7.7
171.11676	8.5
173.09686	7.5
173.13229	7.9
175.07573	5.4
183.11681	7.8
185.13300	4.8
187.14815	6.4
189.16402	6.9
191.10599	4.9
191.14316	6.5
193.08649	3.8
197.13297	5.7
199.11244	4.1
199.14760	3.4
201.08904	2.9
201.12691	3.3
201.16443	9.8
203.10585	4.3
205.15730	6.9
206.16673	6.3
207.17390	7.7
211.11185	4.4
211.14838	5.2
217.12192	4.0
225.12877	6.9
225.16304	3.6
229.12283	5.9
232.55783	3.7
239.17984	3.7
243.13867	8.1
245.11642	3.3
257.15204	3.8
264.33853	3.4
271.13242	5.1
281.19028	7.9
285.18393	7.8
289.14362	12.1
299.20004	6.9
309.18564	6.1
313.03448	6.0
327.19516	25.2
330.03729	4.5
345.05902	11.8
345.20599	100.0
346.20764	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	345.1698
Annotation	Chushizisin B
Peak:m/z	Relative Intensity
50.24438	1.6
51.08044	1.3
55.05494	2.0
65.03938	1.5
67.05505	2.2
69.03427	4.6
69.84508	6.6
79.05478	6.3
81.03384	1.7
81.07056	3.8
86.09711	1.7
89.93822	1.3
90.84665	1.4
91.05479	12.4
93.07031	4.4
95.04954	3.3
95.08589	4.1
97.02885	2.2
97.06542	1.7
98.97560	2.3
103.05432	7.8
105.07036	11.8
107.04936	13.3
107.08590	3.2
108.05729	3.6
109.06512	5.1
109.10155	2.5
113.05980	1.5
115.05447	1.9
116.98647	1.3
117.07035	3.0
117.80182	1.3
118.04174	2.4
119.04943	3.8
119.08575	3.3
121.06521	7.1
121.10105	1.7
125.05994	1.9
128.06213	4.8
129.07004	18.7
131.04958	9.0
131.08562	4.3
133.06496	7.0
134.07234	2.9
135.04402	5.2
135.08101	8.0
136.05199	10.2
137.05986	24.2
139.07576	2.8
142.03264	1.9
143.04904	2.3
145.06485	3.0
146.03633	1.9
146.07260	2.7
147.04446	3.2
147.08060	2.2
147.11702	1.8
148.05148	2.2
149.05963	3.9
149.09561	2.0
150.06758	20.3
151.07552	96.9
152.07817	1.9
153.06998	1.4
153.09102	1.3
157.06503	14.3
160.05225	1.6
161.04808	1.8
161.06004	23.1
161.09659	6.5
163.07542	21.2
165.05461	2.9
165.06941	3.0
165.09119	100.0
166.07838	1.8
166.09297	1.6
167.08563	3.2
170.99165	1.3
174.06763	7.4
175.07526	8.1
177.06900	1.7
177.09125	5.5
178.07858	2.2
179.08571	3.4
181.04994	2.7
181.06413	2.6
181.10106	4.1
183.08131	4.5
188.08325	1.8
189.09109	42.1
190.84044	1.4
191.07034	2.1
191.10725	2.0
193.06499	1.8
193.10121	1.8
194.07224	2.9
195.08096	9.4
196.08789	1.8
197.05803	1.4
197.09645	1.5
203.10690	4.9
205.06488	1.9
207.08026	4.3
207.10173	11.4
208.08804	2.8
209.09619	14.2
210.10432	5.3
211.07513	4.9
213.09166	1.9
219.08054	3.0
220.08852	1.4
221.05891	2.1
221.09656	2.0
222.10490	1.9
223.07530	6.0
223.11214	2.6
224.08345	4.6
225.09065	4.8
226.09843	3.6
227.10666	2.0
235.07536	3.7
235.11130	1.9
236.08292	2.8
236.11975	4.8
237.09135	9.6
238.09874	6.1
239.06979	3.5
239.10658	9.4
241.08510	3.0
241.12265	17.7
249.09045	2.3
251.06934	2.2
251.10651	4.1
252.07855	2.6
252.11371	1.5
253.08691	6.3
254.09332	4.4
255.10149	3.7
255.13644	1.8
263.10651	3.9
264.11414	2.1
267.10263	12.4
267.13821	14.6
268.10828	4.2
269.07977	1.9
269.08762	2.2
269.11740	18.3
270.12485	5.4
271.09668	3.0
280.10864	2.6
281.11734	5.5
283.09610	4.1
283.13284	4.8
284.10333	5.3
285.11230	1.8
286.12051	6.4
295.13251	8.4
298.11890	1.6
299.12778	22.5
299.23715	1.6
301.10889	2.9
301.14349	46.6
312.13455	2.5
313.10706	1.6
313.14529	2.3
315.15979	7.0
327.15906	17.4
345.05856	1.9
345.13229	3.5
345.16916	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	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60753	1.7
54.45469	1.3
55.01871	1.9
55.05518	1.8
56.96563	1.4
62.71991	1.3
69.03433	2.8
69.28231	17.3
79.05484	5.4
81.07056	2.8
91.05472	12.5
93.07043	3.7
95.04932	2.7
95.08607	2.3
97.02914	2.0
97.06563	2.0
98.21458	2.7
98.97576	4.6
103.05467	6.9
105.07027	13.1
107.04953	13.3
107.08569	1.8
108.05730	3.3
109.02880	1.6
109.06535	3.4
115.05477	2.9
116.98615	1.6
117.07011	4.0
119.04948	5.6
119.08605	2.6
121.06496	8.6
125.05998	3.0
127.07606	1.7
128.06224	3.8
129.07004	16.3
131.04910	8.7
131.08556	3.9
133.06525	6.0
134.07288	3.8
135.04417	6.6
135.08044	9.3
136.05200	10.2
137.05974	18.7
143.04948	2.4
145.06497	4.6
146.03691	2.0
147.04463	2.5
147.08041	2.0
148.05162	1.8
149.05981	6.2
150.06779	25.8
151.07549	94.9
157.06526	11.5
158.99695	2.6
159.08063	2.1
160.05214	1.8
161.05989	17.5
161.09604	3.7
163.07564	20.3
165.05606	2.5
165.06937	5.3
165.09126	100.0
166.07793	3.2
167.08560	3.8
173.01169	1.9
174.06769	6.3
175.07553	9.0
177.09120	6.4
179.08606	2.0
181.10135	3.3
183.08047	4.1
188.08417	2.1
189.09116	41.9
191.02402	2.5
194.07317	3.3
195.08049	8.7
196.08899	2.1
197.09625	2.4
203.10692	3.7
205.06647	2.5
205.10205	2.2
207.08304	2.6
207.10092	8.9
208.08879	3.3
209.06049	1.9
209.09648	11.8
210.10387	3.1
211.07576	7.5
212.08470	1.9
221.06012	2.3
221.09631	6.3
223.07579	5.4
223.11188	5.2
224.08365	4.2
225.09143	5.9
226.09920	3.6
227.10677	2.1
235.07588	4.8
235.11226	5.4
236.08241	4.3
236.11935	4.0
237.08937	7.9
238.09883	4.3
239.07085	3.8
239.10655	7.8
240.07756	2.0
241.08694	2.2
241.12228	17.9
249.09148	2.4
251.06844	2.0
251.10674	3.3
252.07806	5.1
252.11473	3.1
253.08617	6.7
254.09261	3.6
255.10118	3.2
263.10672	2.3
264.11484	4.4
265.08646	2.1
266.09332	1.7
267.10193	15.3
267.13718	12.8
268.10873	3.3
269.08365	3.5
269.11746	20.8
270.12469	5.1
281.11783	4.5
283.09732	3.9
283.13312	2.1
284.10425	4.4
286.11972	5.7
295.13370	4.7
299.12833	18.6
301.14383	53.7
313.10867	2.1
313.14297	2.1
315.15887	4.8
327.15982	15.6
335.63733	1.9
345.13559	2.2
345.17075	14.9
351.31989	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
55.05473	1.6
67.05491	3.3
69.03428	4.0
71.10566	3.2
72.08143	1.3
79.05476	5.6
79.39735	1.3
80.94872	1.4
81.03397	1.6
81.07061	3.2
83.04985	1.8
86.29857	1.5
91.05479	13.4
93.07039	2.4
94.04195	2.2
95.04978	3.9
97.02871	2.4
98.97582	13.6
103.05471	5.6
105.07024	14.4
107.04961	17.3
108.05733	3.4
109.06512	4.2
109.10157	1.6
110.97637	1.6
112.99099	2.1
115.05463	4.8
116.98634	8.3
117.07014	4.0
118.04190	1.7
119.04921	5.4
119.08572	2.3
121.06503	11.5
123.08045	3.0
125.05978	2.4
128.06219	4.7
129.07005	16.1
131.00182	4.5
131.04941	7.3
131.08582	4.0
132.05742	1.7
133.06529	7.0
134.07246	4.1
134.99660	2.9
135.04422	7.4
135.08029	8.3
136.05202	11.2
137.05994	20.8
137.09631	1.8
138.06795	2.1
139.07550	2.6
145.06506	3.1
146.07312	2.2
147.04408	5.4
148.05177	1.6
149.01205	3.8
149.05986	5.7
150.06766	28.1
151.03827	2.2
151.07541	96.2
157.06470	9.3
158.99615	3.1
160.05159	1.7
161.05989	22.3
161.09615	6.1
163.07564	19.7
164.08301	2.2
165.05458	4.9
165.06920	3.8
165.09114	100.0
166.07761	2.4
166.09431	1.6
167.08565	2.2
173.01224	4.2
174.06783	7.1
175.07567	9.6
177.00690	5.6
177.09111	5.6
179.08540	3.6
181.06464	3.2
181.08586	1.8
181.10091	2.7
183.08089	3.1
189.09111	39.8
191.02295	4.8
193.06497	1.6
193.10147	1.8
194.07178	3.3
195.08046	9.4
202.98618	2.3
203.10640	3.2
207.08176	3.3
207.10178	8.4
208.08873	1.8
209.06076	1.9
209.09593	14.9
210.10339	4.6
211.07518	6.4
219.01799	2.0
219.07935	2.2
221.05963	1.8
221.09644	4.8
223.07565	7.4
223.11194	3.0
224.08324	6.2
225.09053	5.9
226.09897	5.4
227.10706	1.7
235.07460	4.7
235.11151	3.3
236.08273	3.2
236.11879	2.7
237.05283	1.5
237.09079	10.0
238.06194	1.7
238.09894	3.3
239.07080	2.2
239.10689	8.8
241.08571	3.1
241.12196	21.6
244.99637	5.2
249.09068	2.0
251.06956	2.0
251.10709	2.7
252.07787	4.1
252.11348	1.7
253.08612	5.2
254.09421	4.7
255.10123	3.9
263.10403	1.6
264.11295	2.5
267.10464	12.1
267.13690	14.7
268.10941	3.0
269.08444	2.9
269.11743	20.8
270.12482	5.0
271.09592	3.4
280.10934	2.4
281.11731	3.7
283.09723	3.4
283.13208	2.1
284.10327	4.6
286.11966	6.5
295.13321	8.8
296.13956	2.9
299.12738	20.5
299.15921	2.3
301.14337	47.7
312.13626	2.6
313.03488	2.0
313.10822	3.0
313.14401	1.6
315.15845	4.4
321.11942	1.9
327.15915	17.6
330.03687	2.7
345.06003	5.5
345.13437	1.8
345.17026	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
64.93509	0.4
67.05509	0.6
69.03441	0.7
70.01308	2.2
70.06601	0.8
72.08147	0.5
77.00913	0.7
79.05508	0.8
81.07069	0.9
83.18273	0.4
84.08140	0.5
85.02924	0.4
86.09718	1.0
86.70926	0.5
89.68546	0.4
91.05503	1.2
93.07033	0.9
95.04966	0.4
95.08638	0.6
97.02917	0.4
97.06507	0.5
98.21491	0.6
105.07049	1.1
119.01949	0.8
119.04982	0.7
119.08553	0.6
121.06521	0.4
123.04464	0.5
132.04478	1.4
134.06013	0.5
137.05965	3.5
147.04462	1.5
147.11754	0.7
152.89894	0.6
156.80997	0.4
164.07156	0.5
165.07149	0.4
165.12807	0.9
183.10158	0.6
183.13928	0.4
201.09673	2.0
219.10809	5.0
221.06097	0.4
243.10718	2.3
253.08626	0.7
259.11978	0.8
265.08661	0.4
267.10388	0.6
273.11755	0.6
285.11365	1.4
295.09576	0.4
302.12561	0.7
313.10712	0.5
327.12598	0.9
330.03470	0.6
345.15271	100.0
346.15634	3.5
351.86096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95707	0.4
54.39349	0.4
55.05498	1.7
60.12434	0.4
67.05479	1.0
69.03415	0.7
69.07059	1.5
71.59260	0.6
71.59653	0.6
72.08147	1.5
79.05492	1.0
80.05017	0.7
80.84290	0.5
81.07043	3.8
83.04963	0.5
83.08592	0.9
84.04514	0.5
84.08200	0.4
85.02900	1.2
85.06517	0.4
86.09698	2.9
87.10036	1.2
91.05483	1.3
92.36807	0.4
93.07040	1.6
95.04966	0.7
95.08591	1.9
97.06556	0.7
98.97553	1.1
105.07043	0.7
107.08583	0.8
109.10156	0.6
111.09199	0.6
113.28848	0.4
114.03768	0.6
116.01677	1.0
116.98595	0.8
119.08560	0.6
121.06492	0.5
137.05960	1.5
137.09610	1.1
142.03204	5.2
143.03169	0.9
147.11661	0.4
149.01212	0.5
152.72089	0.5
159.08369	0.8
162.02240	0.9
165.09076	1.1
165.31520	0.4
170.02728	1.7
172.95325	0.5
173.85414	0.4
177.00694	0.7
177.05496	0.6
183.09962	5.3
185.04253	1.6
185.16457	0.7
186.16800	1.2
191.02156	0.6
203.05278	8.1
214.16278	1.1
241.12267	0.5
245.05879	1.4
245.12970	0.6
262.11032	0.7
313.03348	1.5
315.00952	0.9
330.03665	1.7
345.06531	4.9
345.15186	100.0
346.15552	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05511	15.8
56.96566	0.4
58.99583	4.2
61.01137	0.7
67.05517	0.6
68.05038	0.8
69.03413	0.6
69.10096	0.3
70.75238	0.9
72.08160	0.6
73.01151	0.5
73.02910	0.3
73.08475	0.3
73.91339	0.3
76.04008	0.9
77.66220	0.3
79.05477	0.5
80.05016	12.5
81.07062	1.5
82.02947	0.3
83.04971	0.4
83.08620	10.2
84.04498	2.9
85.02884	0.8
86.00626	0.4
86.05587	0.4
86.06075	1.0
86.09695	1.3
86.99055	3.0
87.10023	0.5
88.02218	0.7
93.07035	0.6
94.07048	0.3
95.04950	0.7
96.04496	1.2
97.01125	0.4
97.02862	0.8
98.97573	1.0
98.98977	0.3
99.02663	0.4
102.05531	0.3
105.07011	0.4
107.04961	0.4
107.08598	0.8
108.04469	2.6
109.06503	0.4
109.10154	0.4
112.07604	0.3
114.03754	14.3
115.04106	0.3
116.01677	14.7
117.34354	0.3
119.08562	0.6
121.06506	0.3
123.04517	0.3
123.08069	0.3
124.02242	0.4
127.03942	0.4
127.05816	0.4
131.04959	0.4
131.08574	0.3
133.10172	0.4
136.03935	1.4
137.05988	2.1
137.09662	0.5
138.05460	0.7
138.09158	1.4
139.05739	1.3
142.03221	100.0
143.03606	1.6
144.01161	5.6
144.04808	0.6
151.07500	0.5
155.05165	0.5
159.08385	8.3
161.06076	0.4
162.02202	15.5
163.07544	0.7
165.09117	0.5
167.05241	0.5
170.02713	34.9
171.03035	0.6
175.07567	0.4
177.09160	0.9
183.13777	0.3
185.16422	0.4
186.16859	0.6
188.03760	0.6
193.06345	0.4
194.06110	0.3
199.05382	5.7
211.07123	0.6
214.16382	0.3
224.10944	0.5
227.04848	4.9
240.10683	0.4
242.12100	3.0
243.10292	0.4
245.05917	24.0
246.06262	0.4
252.10532	1.2
259.54910	0.4
262.11057	5.3
267.10120	0.4
270.11734	1.9
285.11169	0.5
299.09286	0.4
313.03110	0.3
327.13196	0.7
345.06244	0.7
345.10361	0.6
345.14569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.05514	12.8
58.99584	3.1
67.05499	2.9
68.05021	0.9
69.03427	1.4
69.07070	1.9
70.84441	2.1
72.08147	2.6
76.04003	1.1
79.05483	1.7
80.05017	8.0
81.03398	0.9
81.07051	5.6
83.04942	1.0
83.08624	9.6
84.04517	2.1
85.02911	0.8
86.06065	0.7
86.09718	2.9
86.99046	2.9
91.05474	1.5
93.07056	2.0
95.08598	2.3
96.04490	1.1
97.02890	1.2
98.97600	2.4
105.07027	1.4
107.08604	1.2
108.04499	2.1
109.10122	1.1
114.03761	10.7
116.01685	9.3
116.98585	1.7
119.08620	0.9
131.00188	1.3
131.95204	0.6
134.99687	1.0
136.03978	1.1
137.05980	2.3
137.09639	1.3
137.13295	1.1
139.05774	1.4
142.03224	78.0
143.03174	1.2
144.01149	3.9
147.04330	0.7
149.01228	0.7
151.03854	0.9
151.07600	0.7
153.05460	0.7
156.33359	0.6
159.08394	7.8
160.08778	0.8
162.02200	12.4
165.09099	0.7
167.05405	0.7
170.02725	26.4
171.11691	0.8
172.95355	1.1
173.01236	0.8
177.00702	1.1
183.09946	4.8
185.04222	2.1
185.16507	0.8
186.16893	1.2
191.02187	0.8
199.05353	4.8
202.98599	1.0
203.05258	8.2
211.07162	0.9
214.16396	0.9
224.11002	0.9
227.04901	4.0
242.12161	2.6
244.99789	1.0
245.05922	19.2
252.10699	1.0
262.11063	4.4
270.11649	2.0
280.87756	0.7
313.03439	1.7
315.01184	1.4
327.13315	0.8
330.03699	1.5
336.95450	0.6
345.06348	6.9
345.15210	100.0
346.06339	0.7
346.15695	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05512	17.7
56.96554	1.0
58.99577	3.7
67.05480	3.4
68.05006	1.5
69.03416	1.5
69.07057	3.5
71.04980	1.6
71.59473	0.9
72.08156	2.0
76.04005	1.9
79.05475	3.7
80.05024	13.0
81.03406	1.3
81.07056	15.2
83.04986	1.2
83.08620	13.1
84.04508	7.1
85.02887	1.6
86.06079	1.0
86.09703	4.0
86.99055	2.3
91.05458	2.7
93.07034	5.1
95.04958	1.1
95.08603	6.5
96.04478	2.2
97.02901	1.7
97.06535	1.4
98.97575	3.3
105.07030	1.9
107.08609	2.8
108.04489	2.4
109.02837	1.3
109.10149	2.0
111.05560	1.0
111.09215	1.8
114.03768	12.6
116.01677	15.6
116.98621	3.0
119.08574	1.3
121.10149	2.1
133.10164	1.4
134.99664	1.0
136.03918	3.6
137.05962	3.6
137.09615	1.6
137.13252	2.8
139.05713	1.2
142.03227	100.0
143.03581	1.7
144.01143	5.5
147.08127	1.1
154.94179	1.0
158.99585	0.9
159.08408	13.3
162.02211	18.0
165.09119	1.6
170.01266	2.2
170.02719	35.5
172.95276	1.8
173.12965	1.5
175.07516	1.1
177.00774	1.4
183.71918	0.9
190.96399	1.6
191.02170	1.4
199.05426	5.5
211.07048	1.4
219.01698	1.8
227.04857	4.9
237.02824	1.1
242.11942	2.4
245.05931	24.0
252.10495	1.9
262.11063	9.2
270.11588	3.2
295.09506	1.6
313.03452	6.0
313.11005	1.3
315.01401	2.4
327.13452	1.2
329.02942	1.2
330.03833	6.0
345.06082	17.2
345.14645	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	345.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57510	0.3
53.46915	0.4
55.01863	0.4
55.05500	0.4
56.96558	1.2
60.04526	0.6
61.02909	0.5
65.03938	0.4
66.04739	0.3
67.05495	0.6
68.85374	0.3
69.03423	0.7
69.07069	0.5
70.06576	1.8
71.58992	0.5
72.08152	3.0
73.02969	0.4
77.03919	0.5
79.05487	1.5
81.03412	0.5
81.07043	0.8
83.04981	0.4
84.04490	1.6
84.08150	2.4
85.02890	1.3
86.09706	4.3
89.03908	1.0
91.05476	3.5
93.07034	0.6
94.04189	2.7
95.04976	1.2
95.06073	0.4
95.08601	0.5
97.02883	0.5
97.06549	0.4
98.55846	0.3
98.97572	2.2
103.05485	0.9
105.07010	1.0
107.04942	1.2
107.08605	0.7
109.02867	0.4
109.06518	1.6
109.07651	1.0
109.10166	1.0
110.07153	0.4
111.04470	0.5
114.97297	0.3
115.05450	2.0
116.07060	0.7
116.98618	2.4
117.03391	1.2
119.04968	0.9
119.08577	0.9
121.06514	1.8
121.10136	0.5
122.02850	0.7
122.03655	6.9
123.04452	0.5
123.08073	0.5
125.05986	0.5
127.03933	1.8
129.10226	1.9
130.04953	0.4
131.04939	2.2
133.02861	0.8
134.99664	1.3
135.04404	2.1
136.04797	0.6
137.05978	100.0
138.06346	1.8
138.09192	0.6
143.04907	1.4
144.06590	1.4
145.02875	1.3
147.04428	1.2
147.07997	1.0
149.06021	1.8
151.03923	0.8
151.07599	0.8
151.11116	0.6
157.13327	0.5
158.99673	0.9
159.04445	0.9
160.05116	0.7
161.05988	3.4
161.09203	1.3
163.03896	6.8
163.07539	1.0
164.04282	2.3
165.05492	1.1
165.06998	1.6
175.07555	4.0
176.04732	1.2
177.00728	1.4
177.05557	0.9
177.06886	0.4
178.07845	0.7
179.07141	0.5
179.08557	1.4
181.05032	0.4
181.06473	0.8
182.07260	0.7
183.11339	0.5
188.04770	0.5
189.07143	0.5
191.07028	4.4
193.06540	1.2
194.07289	0.6
195.08047	0.6
201.00734	1.2
203.07086	1.8
205.06493	1.4
206.07294	0.7
207.08092	1.4
209.05823	0.5
210.06810	1.3
211.07469	0.8
219.01799	0.8
221.06013	2.1
221.08058	1.0
222.06784	1.3
223.07414	0.9
224.08386	1.0
225.09087	1.1
233.05952	1.2
234.06792	1.3
235.07466	1.0
237.02919	0.7
237.09151	1.7
238.06224	1.1
239.07140	0.5
239.10675	1.2
249.09081	1.5
250.06117	0.5
251.06990	1.1
251.56509	0.4
252.07726	0.8
253.08578	3.1
265.08606	2.9
267.10147	3.1
269.07968	0.6
270.08902	0.7
277.08536	2.5
284.10471	0.6
285.03879	0.7
285.11130	3.4
287.01938	0.6
294.08942	1.0
295.09683	1.1
297.11261	2.3
299.12817	0.9
309.11240	4.4
313.03439	2.0
315.01376	0.9
327.12286	1.4
330.03644	1.7
344.63037	1.7
345.06100	4.9
345.12402	2.3
346.06757	0.5
346.13977	1.4
351.09482	0.5
352.10046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01871	0.7
55.05500	0.5
56.05035	0.5
56.96553	0.5
57.03440	0.4
65.03958	0.5
67.05492	1.3
69.03423	1.8
69.07049	0.6
69.43821	3.6
70.06578	0.9
71.05006	0.5
72.08144	1.5
73.02911	0.6
79.05493	1.8
81.03413	0.5
81.07063	1.9
81.51400	0.4
83.06094	1.5
84.04504	1.3
84.08096	0.4
85.02908	1.2
85.06514	0.7
86.09707	4.7
89.07166	0.5
91.05474	3.2
93.07040	1.7
94.04176	2.6
95.04951	1.1
95.08594	1.0
97.02885	0.9
98.21485	0.7
98.97572	1.6
99.01682	0.3
101.07099	0.4
103.05460	1.1
105.07020	1.0
107.04942	1.3
107.08614	0.7
109.02859	0.4
109.06510	1.6
109.10172	0.6
111.04424	0.9
111.05572	0.4
115.05468	1.5
116.98618	1.1
119.08550	1.1
121.06501	0.8
121.10145	0.6
122.03645	6.0
123.04432	0.6
123.08029	0.6
123.16850	0.4
125.05983	0.7
129.07050	0.5
129.10222	0.8
131.04915	1.6
131.08542	0.4
132.05714	0.5
133.02936	0.5
136.07590	0.5
137.05977	100.0
138.06306	2.4
143.04938	1.2
145.06445	0.5
146.11725	1.8
147.04430	1.2
147.08098	0.6
149.06003	1.6
151.03915	1.4
151.07558	0.9
154.09773	1.2
155.08194	0.7
159.04448	0.7
160.05238	0.7
161.05986	3.3
161.09744	0.4
163.03899	0.4
163.07507	0.8
165.05614	0.5
165.07014	1.4
165.09082	0.4
165.12769	0.5
166.07779	0.4
167.07045	0.9
175.07582	3.1
176.04712	1.0
177.00766	0.8
177.05449	0.5
178.07788	1.3
179.07123	0.7
179.08574	1.8
180.08995	0.4
181.06503	0.7
182.07251	1.0
182.09251	0.8
183.07759	0.5
183.10196	0.6
189.06923	0.4
191.02319	0.7
191.07018	4.6
193.06497	1.2
194.07269	0.7
195.08087	0.9
197.05942	0.5
200.10368	0.7
202.98668	0.7
203.07095	1.7
205.06577	0.8
206.07260	0.6
207.08067	1.6
210.06735	1.6
211.07542	0.7
217.06548	0.6
221.06010	2.6
221.07979	0.7
222.06763	1.1
223.07527	0.8
224.08136	0.9
225.05525	0.6
225.09108	1.9
233.05925	1.0
234.06693	1.5
234.99051	0.5
235.07555	1.2
237.09131	1.1
238.06258	1.1
239.10667	0.9
240.07800	0.5
241.08499	0.7
241.12173	0.4
249.09163	1.4
250.06290	0.5
251.06956	0.8
252.07735	0.9
253.08591	3.3
254.09286	0.6
265.08633	2.0
266.09305	0.6
267.10132	2.7
270.08914	0.5
277.08734	1.9
285.08420	0.5
285.11212	3.1
294.08932	1.5
295.09634	1.7
297.11221	2.4
309.11157	4.6
313.03403	1.5
315.01291	0.6
327.12152	1.5
327.15668	0.4
327.20142	0.8
329.03009	0.5
330.03534	0.9
345.06094	3.2
345.13193	3.0
345.20236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91798	0.4
55.01863	0.5
55.05503	0.6
56.96575	0.6
57.07063	0.4
65.03952	0.4
65.59703	0.3
69.03439	0.8
69.58635	2.3
70.06593	1.7
72.07872	0.3
72.08160	3.1
76.85221	0.3
79.05480	1.1
81.03421	0.5
81.07039	0.9
83.04978	0.4
84.04487	0.4
84.08140	1.0
85.02912	0.6
85.06519	0.6
86.09715	0.8
91.05484	2.1
94.04190	2.2
95.04959	0.8
97.02911	0.3
103.05482	0.6
105.03396	0.5
105.07039	0.6
107.04976	1.1
109.02869	0.5
109.06521	1.2
109.07645	0.7
115.05458	1.4
116.98594	0.4
117.61375	0.3
119.04918	1.1
121.06486	1.0
122.02836	0.6
122.03650	6.5
127.03902	0.5
129.10269	0.6
131.04900	2.1
132.04468	0.8
132.05743	0.4
133.02827	0.8
134.06015	0.4
134.99635	0.4
135.04443	0.5
137.05980	100.0
138.06305	2.3
143.04936	1.6
146.03540	0.3
147.04387	1.6
149.05974	1.2
149.31856	0.3
151.03899	0.6
151.07523	0.6
153.05386	0.4
155.06042	0.3
159.04404	0.8
160.05182	0.9
161.06000	3.5
163.07513	0.7
165.05481	1.8
165.07007	1.6
167.08582	0.7
169.36047	0.4
171.04288	0.4
175.07533	3.1
176.04681	0.9
177.00735	0.5
177.05588	1.6
177.06862	0.4
178.07901	0.7
179.07095	0.7
179.08556	1.7
181.06468	0.6
182.07323	0.8
184.07355	0.3
189.06982	0.8
191.07039	5.2
193.06453	0.9
194.07236	0.7
195.08090	0.8
197.35072	0.4
203.07086	1.8
205.06578	1.0
206.07317	0.5
207.07996	1.3
207.09828	0.3
210.06750	1.5
221.06017	2.7
221.08124	1.0
222.06790	1.1
223.07524	1.0
224.08354	1.0
225.09032	1.6
227.07195	0.6
228.13303	0.6
233.06000	0.8
234.06723	1.7
235.07585	1.5
237.09024	2.2
238.06340	0.9
239.07153	0.5
239.10680	0.9
249.09085	1.6
250.06313	0.5
251.07085	1.1
252.07784	1.0
253.08630	2.4
255.03934	0.4
255.06502	0.8
255.10060	0.5
259.11905	0.4
261.26581	0.4
265.08600	3.3
266.09354	0.5
267.10107	2.4
270.01526	0.4
270.08807	0.5
277.08539	2.9
279.06210	0.4
282.08969	0.7
285.04001	0.8
285.11139	3.6
287.01825	0.7
294.08896	1.4
295.09622	1.1
297.11288	1.9
309.11221	4.2
313.03458	2.1
315.01334	1.8
316.01877	0.4
323.24625	0.4
327.12296	1.4
329.03210	0.4
330.03659	2.4
344.97797	0.4
345.06113	9.2
345.12927	3.0
345.15302	3.6
346.13928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22738	0.7
56.96515	1.4
57.03383	1.2
59.53662	0.6
61.02877	1.6
69.03356	3.2
71.41100	1.5
73.02849	1.4
81.03346	2.1
82.06528	0.7
85.02901	8.9
91.03875	1.3
95.01291	1.2
97.02917	3.3
98.97517	1.8
98.98410	0.8
109.02855	1.1
112.99956	0.8
116.98554	2.1
119.01845	1.8
127.03914	3.3
136.93059	2.3
143.01904	0.9
145.03438	1.4
145.04904	1.6
149.01154	1.6
154.94151	6.6
155.01884	0.7
157.03397	1.1
158.97185	1.9
161.02917	1.9
167.02147	0.8
172.95247	14.0
173.02965	0.8
174.04475	1.4
176.98241	2.6
177.00914	4.2
183.04994	1.3
185.01065	0.7
185.02885	1.3
190.96304	8.4
194.09283	0.8
200.98254	7.6
201.00885	1.3
202.94504	1.0
203.03922	1.7
204.97733	1.0
214.94600	1.4
214.96503	17.5
214.99706	1.4
215.96558	1.3
218.99782	1.9
219.01987	37.7
220.02095	3.4
220.95450	0.9
224.98346	1.9
228.97809	8.3
238.96515	2.3
242.03613	2.7
242.99413	4.2
245.05051	2.5
245.93283	0.7
245.96094	0.8
246.98923	9.1
255.07034	1.0
256.97583	94.9
257.97733	7.3
258.98096	0.8
262.96649	1.2
263.05920	1.0
264.07770	1.9
270.00525	1.0
274.97797	1.3
279.99072	1.7
280.97522	6.0
285.00479	6.9
294.92923	0.8
297.93436	1.1
298.98611	100.0
299.98712	8.3
303.01337	5.9
303.98984	1.1
305.07007	0.8
309.95053	0.8
310.94485	0.7
322.00021	8.3
323.00244	1.1
339.94144	1.1
347.08252	0.8
363.03680	1.4
365.09247	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72714	3.1
53.03944	4.5
55.01863	11.1
55.05512	52.6
56.05031	6.9
57.03429	10.8
57.07080	21.7
58.23787	3.8
59.05000	4.1
61.84966	3.6
65.70707	2.8
66.18753	3.6
66.73823	2.9
67.05507	82.8
69.03416	8.5
69.07065	45.8
70.06615	5.3
71.04990	9.8
71.08632	32.2
71.59199	4.8
74.06071	21.0
79.05490	54.1
81.03427	8.0
81.07061	100.0
83.04977	24.1
83.08620	26.7
85.06555	12.5
88.07629	59.8
91.05477	43.3
93.07053	79.4
95.04987	22.4
95.08611	54.7
97.06514	17.8
97.10190	16.8
97.10720	2.9
99.08088	29.8
100.11269	5.5
102.05550	4.2
104.66236	2.8
105.07019	29.7
106.08669	4.9
107.04934	4.4
107.08603	40.6
109.06526	5.3
109.10143	29.5
111.08083	8.7
113.09662	3.5
114.75900	3.2
117.07014	9.3
119.08574	28.3
121.10138	31.0
123.08039	4.4
123.11714	10.5
125.09609	9.0
129.07040	7.7
131.08578	15.1
133.10155	31.3
135.08098	7.0
135.11697	25.7
137.09624	7.1
137.13281	4.3
139.07535	6.4
139.11200	47.2
143.08565	4.0
145.10132	9.4
147.08099	3.8
147.11676	20.5
148.78680	3.0
149.13249	19.0
151.11186	14.1
153.12756	5.1
157.10159	9.7
159.10506	3.5
159.11641	18.6
161.09674	4.2
161.13243	20.0
163.11143	9.1
163.14801	3.7
165.12769	10.2
171.11668	10.5
173.11755	20.2
173.13229	7.4
175.11214	9.4
175.14877	9.9
177.12781	12.8
179.14319	4.9
185.13141	4.1
187.14932	4.3
193.12262	12.2
195.13806	13.4
203.12767	6.1
213.14902	5.3
217.19485	4.6
221.15427	3.5
231.20932	3.6
241.19582	10.9
249.22119	4.4
259.20541	26.0
272.86142	3.3
277.21671	68.7
278.21988	4.8
291.23093	15.2
298.30899	15.3
309.24136	16.5
313.03558	8.3
315.01544	5.2
326.30783	3.8
329.72415	3.9
330.03461	6.3
344.31583	94.0
345.06140	25.4
345.32147	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	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37760	5.3
55.01862	7.3
55.05516	62.1
56.05023	6.9
57.03430	13.9
57.07056	25.5
67.05167	8.1
67.05503	96.5
69.03424	16.5
69.07063	50.6
70.62051	6.8
70.62405	22.5
71.08633	38.1
71.61766	4.9
73.06493	5.4
74.06058	11.0
75.35439	4.8
76.44662	5.8
79.05494	60.9
81.03397	8.5
81.07057	96.7
83.04992	33.0
83.08636	35.3
88.07623	50.6
91.05474	49.4
93.07044	100.0
93.77761	5.4
95.04945	21.5
95.08601	57.5
97.06528	20.9
97.10157	16.3
99.08084	37.8
100.11253	8.1
105.07031	39.5
107.08579	51.2
109.06506	10.1
109.10148	34.1
111.08042	9.0
113.44349	6.0
117.07021	14.5
119.08584	35.8
121.10147	35.7
123.08033	6.9
123.11723	8.8
125.09605	8.3
129.06975	8.4
131.08549	18.2
133.10135	39.6
135.11679	25.4
137.13257	7.4
139.07497	9.1
139.11218	51.7
145.10115	19.0
147.08075	5.8
147.11693	21.8
149.09651	7.9
149.13219	32.3
151.11176	16.4
157.10149	10.3
159.11694	16.1
161.13275	25.1
163.11217	17.0
163.14812	9.4
165.12711	10.9
171.11748	7.4
173.11674	18.2
173.13129	9.4
175.11137	10.7
175.14796	20.4
177.12732	13.4
179.14343	9.4
185.13243	10.0
193.12259	11.2
195.13850	23.3
196.08456	6.3
207.13867	7.5
208.91917	5.4
221.15318	7.3
241.19504	11.1
247.08699	7.8
259.20532	24.7
277.21616	84.9
291.23163	23.3
298.31033	13.7
309.24301	18.8
313.03485	7.9
315.01480	8.1
330.03687	6.9
344.31567	83.6
344.35257	10.0
345.05920	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	41.4
57.03439	9.0
57.07079	11.9
63.69821	6.9
67.05511	100.0
69.03452	7.4
69.07072	38.2
71.04998	30.9
71.08633	13.4
71.57846	7.3
79.05502	47.6
81.07056	83.8
81.88161	7.7
83.04988	17.6
83.08620	23.0
85.06556	13.9
88.07637	10.6
91.05470	37.6
93.07043	65.8
95.04978	20.5
95.08605	56.6
97.06535	12.0
99.08139	7.1
105.07035	32.5
107.07972	6.8
107.08578	47.8
108.12327	7.6
109.10156	83.0
111.08070	15.6
117.07008	9.4
119.08603	30.0
121.10151	27.4
123.11761	11.4
129.06995	8.5
131.08571	11.6
133.10129	26.7
135.11678	20.7
137.09521	7.6
139.11221	21.3
145.10152	9.9
147.11694	25.2
149.13263	27.9
155.10492	7.3
159.11696	19.9
161.13324	11.1
163.11176	7.1
173.11734	71.1
175.14894	23.7
177.12744	13.7
184.49870	8.3
187.13313	16.6
189.16434	19.6
190.17220	11.9
193.12207	11.1
195.13829	32.5
201.10162	9.0
203.16423	9.0
241.19540	17.9
257.22675	19.2
259.20825	7.7
277.21606	38.4
285.22104	8.3
291.23129	8.5
303.23105	19.3
313.03479	20.3
315.01456	10.7
330.03613	25.1
344.25842	13.0
344.31570	8.9
344.35089	21.5
344.38495	11.8
345.06119	73.7
350.36664	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	344.2585
Annotation	Atisine
Peak:m/z	Relative Intensity
51.74085	9.3
63.98177	11.0
71.09733	29.8
79.84011	11.1
88.17345	9.9
95.08595	27.8
109.10159	21.4
119.08579	24.1
121.10120	29.6
133.10110	18.2
134.21254	12.2
135.11732	10.8
147.11694	16.3
173.86510	12.2
176.95802	11.5
203.65154	10.8
215.14214	12.4
257.22659	45.7
285.22119	34.4
303.23169	100.0
324.76154	11.2
326.24973	17.6
344.25797	58.7
352.71985	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	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94587	5.0
55.05502	34.9
55.67532	6.0
57.03436	8.9
57.07072	20.6
65.35835	5.5
67.05501	74.1
69.07062	58.9
69.35678	32.6
69.36104	30.9
71.04983	20.0
71.08621	19.4
79.05492	44.8
81.03409	7.2
81.07059	81.9
83.04958	13.5
83.08620	18.1
85.06551	12.2
85.10180	32.1
85.95338	5.4
88.07639	10.7
91.05489	27.0
93.07045	65.5
95.04977	19.9
95.08609	100.0
97.06530	16.2
97.10171	22.9
99.08086	24.2
105.07050	37.4
107.04910	5.9
107.08599	43.8
109.06554	8.7
109.10139	21.5
113.09645	48.7
119.08565	26.1
121.10134	81.4
123.11716	11.5
125.09623	18.6
129.07005	6.6
131.08568	23.9
133.10139	20.1
135.11707	17.4
139.11214	31.6
141.12677	6.9
145.10066	10.7
147.08118	6.7
147.11711	32.4
149.09633	24.8
151.11110	5.7
155.10599	6.0
157.12265	7.0
161.09470	5.8
161.13216	11.1
163.11183	9.5
163.14807	6.0
165.12762	25.0
167.10732	10.3
171.11755	8.5
175.11282	8.6
175.14853	12.3
179.14304	8.1
185.11678	8.1
189.11179	7.6
193.12248	18.3
217.14317	10.1
241.19478	8.5
259.20520	11.2
264.36420	5.6
277.21631	45.3
287.01913	8.7
295.22644	33.8
313.03320	20.4
315.01266	8.1
330.03729	21.4
334.05316	6.1
336.36282	6.2
345.06100	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.05507	6.0
57.03436	0.7
57.05812	0.5
60.04524	0.5
61.02920	0.7
62.63701	0.5
69.03428	3.5
69.07068	7.0
69.98807	1.0
69.99225	1.6
70.06602	1.0
71.04994	1.1
72.08154	45.8
73.02915	0.5
79.05485	1.0
81.03438	2.0
81.07038	0.6
81.65295	0.4
81.97784	0.4
83.04985	0.5
83.08611	0.4
85.02898	5.0
86.09703	100.0
87.10035	0.7
91.05479	9.1
93.07034	0.4
95.04981	0.6
97.02898	1.8
97.10160	3.8
98.21387	0.7
99.04444	1.4
100.07595	0.6
100.11254	3.5
101.11603	1.1
103.05469	1.8
105.07034	2.7
109.02885	0.9
109.10157	0.5
111.04436	0.7
115.11209	0.6
116.07070	0.4
119.08556	3.4
121.06515	5.4
125.05975	0.6
125.09621	0.7
127.03925	2.6
128.06204	0.9
129.07007	14.6
130.07332	0.9
132.10210	1.8
137.02336	1.0
137.06001	0.8
137.09566	0.7
145.02866	1.1
145.04921	0.7
147.08043	40.9
148.08353	2.5
149.39169	0.4
153.01892	0.8
157.16989	0.5
165.09106	12.7
165.10497	0.6
166.09488	0.7
177.05522	1.8
181.79785	0.4
185.16490	47.7
186.16791	0.9
187.14467	0.5
190.05023	0.4
191.24878	0.4
199.18185	0.9
205.08640	0.5
210.16924	0.6
213.03963	1.0
213.15971	34.3
214.16342	0.9
220.60423	0.4
223.11317	0.7
229.04985	0.5
231.05083	1.4
231.17030	7.3
241.12274	0.9
245.18712	0.7
252.15926	0.7
285.03757	0.5
299.05630	0.9
303.04922	1.0
326.20029	0.8
326.24359	0.5
327.04941	1.0
327.14468	0.6
344.07654	1.6
344.15717	0.4
344.21457	0.6
344.25470	1.4
344.31018	5.2
345.06070	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	344.2544
Annotation	Ile Val Ile
Peak:m/z	Relative Intensity
53.74538	0.4
53.99855	0.4
55.05261	0.7
55.05514	8.8
57.03456	0.4
57.05795	0.4
58.99590	1.2
62.69271	0.4
67.05507	0.4
69.07074	2.0
71.05027	0.4
71.60299	0.9
72.08155	67.7
76.03949	0.4
80.05019	2.9
81.07054	2.3
83.08616	2.9
84.04476	0.9
85.02915	0.6
86.06087	0.6
86.09704	100.0
86.99043	1.0
87.10036	0.4
93.07038	0.5
95.04970	0.5
95.08612	0.7
96.04502	0.5
97.02906	0.6
100.07593	0.7
107.08623	0.6
107.47045	0.4
108.04469	1.0
109.06625	0.4
109.10116	0.4
110.07173	1.8
114.03771	3.6
116.01685	4.0
132.10181	2.9
137.05969	0.8
139.05699	0.4
142.03221	24.7
143.49286	0.4
144.01143	1.5
146.42365	0.4
154.94128	0.6
159.08392	2.9
162.02213	4.9
164.11623	0.4
170.02702	9.4
172.95226	1.5
185.16495	61.8
186.16814	0.9
190.96257	0.7
199.05351	1.3
213.15982	40.9
227.04828	1.5
231.17015	5.3
241.01514	0.4
242.12030	0.9
245.05931	6.1
252.10654	0.4
252.91734	0.8
262.11047	1.3
270.92831	1.0
344.25342	1.3
345.05917	1.0
345.10324	0.4
345.14859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.05507	6.0
57.03436	0.7
57.05812	0.5
60.04524	0.5
61.02920	0.7
62.63701	0.5
69.03428	3.5
69.07068	7.0
69.98807	1.0
69.99225	1.6
70.06602	1.0
71.04994	1.1
72.08154	45.8
73.02915	0.5
79.05485	1.0
81.03438	2.0
81.07038	0.6
81.65295	0.4
81.97784	0.4
83.04985	0.5
83.08611	0.4
85.02898	5.0
86.09703	100.0
87.10035	0.7
91.05479	9.1
93.07034	0.4
95.04981	0.6
97.02898	1.8
97.10160	3.8
98.21387	0.7
99.04444	1.4
100.07595	0.6
100.11254	3.5
101.11603	1.1
103.05469	1.8
105.07034	2.7
109.02885	0.9
109.10157	0.5
111.04436	0.7
115.11209	0.6
116.07070	0.4
119.08556	3.4
121.06515	5.4
125.05975	0.6
125.09621	0.7
127.03925	2.6
128.06204	0.9
129.07007	14.6
130.07332	0.9
132.10210	1.8
137.02336	1.0
137.06001	0.8
137.09566	0.7
145.02866	1.1
145.04921	0.7
147.08043	40.9
148.08353	2.5
149.39169	0.4
153.01892	0.8
157.16989	0.5
165.09106	12.7
165.10497	0.6
166.09488	0.7
177.05522	1.8
181.79785	0.4
185.16490	47.7
186.16791	0.9
187.14467	0.5
190.05023	0.4
191.24878	0.4
199.18185	0.9
205.08640	0.5
210.16924	0.6
213.03963	1.0
213.15971	34.3
214.16342	0.9
220.60423	0.4
223.11317	0.7
229.04985	0.5
231.05083	1.4
231.17030	7.3
241.12274	0.9
245.18712	0.7
252.15926	0.7
285.03757	0.5
299.05630	0.9
303.04922	1.0
326.20029	0.8
326.24359	0.5
327.04941	1.0
327.14468	0.6
344.07654	1.6
344.15717	0.4
344.21457	0.6
344.25470	1.4
344.31018	5.2
345.06070	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01851	3.5
55.05493	6.8
57.03436	7.5
63.15241	1.6
67.05501	24.3
69.03426	2.7
69.07064	29.6
69.46735	4.8
69.47155	8.7
71.04987	10.6
71.08560	1.4
73.02910	2.5
79.05489	25.8
81.03412	15.4
81.07052	20.1
83.04957	7.0
83.08604	3.3
85.06570	2.0
91.05475	15.5
93.07033	17.9
95.04967	20.3
95.08590	14.9
95.20249	1.4
97.06525	100.0
99.04492	2.1
99.08067	7.4
105.07024	11.7
107.04266	1.4
107.04954	5.5
107.08593	12.1
109.06503	9.5
109.10147	6.2
111.08086	2.7
113.06039	2.4
115.07561	24.0
117.06992	8.6
117.89145	1.5
119.08597	8.7
121.06492	4.4
121.10133	7.3
123.08098	1.8
129.06975	3.1
131.08578	8.4
133.10124	10.9
135.08055	4.3
135.10788	1.4
135.11647	9.0
137.05960	3.0
137.09648	1.7
141.07062	1.4
143.08566	2.6
145.10112	5.8
147.08049	2.4
147.11707	4.1
149.09590	3.9
149.13251	5.8
151.11136	2.0
155.08629	1.6
159.11684	7.1
161.09666	3.4
163.11256	2.0
169.57771	1.4
171.11646	3.3
173.13240	3.3
177.12764	6.1
185.13152	2.0
191.06973	2.3
195.13777	6.2
206.24432	1.5
215.53464	1.8
217.15837	2.2
219.13794	1.4
221.15396	1.7
223.13266	3.8
226.97972	1.8
245.19077	2.3
273.18414	5.5
281.21332	1.7
291.19638	8.8
299.09253	1.9
313.03482	2.7
313.10822	7.8
315.01199	2.0
330.03561	3.8
337.57172	1.5
345.05981	10.4
345.13290	3.4
358.21451	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07960	7.8
55.05515	64.3
57.03427	35.2
67.05504	100.0
69.03409	23.7
69.07069	58.5
71.04976	29.6
71.31332	7.7
71.57243	9.2
77.00495	7.0
79.05501	97.2
81.03420	54.7
81.07054	95.9
83.04991	21.9
83.08610	30.2
88.07634	7.0
91.05492	58.8
93.07040	96.4
95.04974	47.2
95.08607	84.6
97.02879	10.5
97.06507	31.4
97.10178	40.3
101.07637	8.0
105.07018	44.2
107.04958	20.1
107.08602	62.5
109.06547	42.9
109.10171	41.3
111.08121	7.5
113.06015	17.5
117.07014	18.0
119.08583	64.6
121.06506	18.7
121.10145	43.1
123.08070	57.4
125.09635	52.6
131.04907	10.5
131.08569	30.7
133.10138	26.6
133.33749	8.4
135.08049	19.4
135.11674	18.0
137.05975	20.6
137.09547	13.8
145.10123	24.4
147.04440	7.9
147.11685	13.3
149.09607	25.3
151.07498	8.7
153.09103	10.3
159.08134	7.3
159.11763	17.4
161.09671	10.8
171.11621	12.2
173.11804	11.6
173.13205	18.5
175.07552	8.9
175.11229	8.1
187.11223	13.8
189.11211	55.1
189.12776	13.0
191.07057	9.6
199.07579	8.7
199.14990	9.0
212.16486	10.8
217.15863	8.6
221.15396	20.5
223.13254	8.1
225.09033	10.9
273.18478	27.1
285.11261	10.3
291.19492	33.7
298.98004	8.7
309.20694	19.5
313.03351	10.2
313.10678	34.3
315.01492	9.9
330.03778	17.3
344.12048	13.1
344.24255	19.2
345.06012	35.6
345.13196	29.1
345.16864	17.6
345.20639	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
54.74992	4.6
54.78148	4.2
55.01880	6.7
55.05510	17.0
56.96557	5.2
57.03433	14.3
67.05505	58.9
69.03413	8.8
69.07068	69.5
70.50751	16.1
71.04977	36.6
73.02924	4.4
79.05491	45.8
81.03413	40.5
81.07055	70.1
83.04977	13.8
83.08621	6.5
85.02900	9.4
85.06547	9.7
86.09734	4.4
91.05480	33.3
93.07046	48.9
95.04968	37.2
95.08608	35.8
97.02925	5.6
97.06536	100.0
97.10171	5.2
98.20889	4.3
99.08104	9.3
104.67716	4.6
105.07035	31.0
107.04926	4.9
107.08583	26.2
109.02959	4.0
109.06515	28.2
109.10175	13.7
111.08077	11.4
113.06030	4.4
115.07572	77.4
117.07008	13.3
119.08591	18.5
121.06469	5.6
121.10152	19.2
123.08077	12.9
125.09618	7.5
128.06244	5.6
129.07005	7.8
131.08591	13.0
132.00841	4.7
133.10152	18.4
135.08067	9.8
135.11705	12.8
137.05989	13.9
143.08545	10.5
145.10107	14.4
145.62874	4.1
147.08057	4.8
147.11694	7.6
149.09631	11.4
149.13266	6.8
157.10115	12.5
159.11702	14.0
161.09639	4.6
173.13274	6.1
177.12770	9.7
187.11348	8.0
195.13719	10.7
207.13918	6.4
217.15825	5.9
223.13333	9.4
229.06648	5.1
249.14839	5.9
273.18503	11.0
291.19550	12.5
313.03342	5.2
315.01285	5.7
330.03802	9.5
345.06079	20.0
345.13220	11.6
345.20605	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02964	1.0
53.03932	1.1
55.01872	1.4
55.05507	1.8
56.96556	4.6
57.03422	2.5
60.04525	3.0
61.02921	3.2
69.03428	6.4
70.06310	0.9
70.06596	10.8
70.08967	1.0
71.04985	1.6
71.58855	1.6
72.08148	3.2
73.02913	2.3
73.22569	1.1
77.63087	0.9
81.03416	3.5
82.06572	1.2
83.04947	1.1
84.04496	3.0
84.08144	4.8
85.02428	1.8
85.02906	23.7
86.09675	2.5
87.04453	1.6
88.03986	1.4
89.03922	3.9
91.05474	8.7
93.07063	1.0
95.08542	1.2
97.02914	10.0
98.97576	5.0
99.04457	1.5
102.05535	1.8
107.04938	1.8
109.02898	2.6
110.07108	1.6
111.04435	1.6
112.07545	1.2
116.07077	4.4
116.98633	2.6
117.03378	2.0
119.04944	32.2
121.06554	1.2
123.04401	2.2
127.03915	4.9
128.98599	1.1
129.10262	1.9
132.04419	1.5
134.99644	2.0
135.04448	5.8
136.06274	3.6
136.07578	80.6
137.05989	1.6
143.00201	1.6
145.02818	2.5
145.04938	3.4
146.99675	1.2
147.04433	5.8
149.01271	1.1
150.07729	2.1
161.01173	1.4
163.02582	2.0
163.03908	21.7
164.04283	1.7
164.07092	3.1
165.00833	1.2
165.05507	9.7
170.99664	1.2
174.04472	1.3
177.00716	2.5
178.08617	2.0
182.08134	100.0
183.08400	1.5
188.07666	1.4
201.00728	2.4
204.05534	1.6
215.05922	1.1
219.01845	2.2
224.09071	2.7
237.02760	3.5
245.11328	1.8
285.04065	1.2
308.11246	2.0
313.03445	2.0
315.01459	1.7
326.12357	3.1
330.03641	2.1
344.13095	3.1
344.17923	1.3
345.06134	5.9
353.07254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
56.96572	10.5
57.03444	6.4
59.04981	1.3
61.02931	5.1
69.03439	12.5
70.06601	8.8
71.04995	1.4
71.57831	1.2
71.58197	1.1
72.08176	1.2
73.02911	4.7
79.05506	1.4
81.03445	1.5
81.04543	1.2
81.07034	1.8
84.04498	1.4
84.08137	1.9
84.96040	1.3
85.02916	15.9
86.09698	1.8
87.04474	4.1
87.38696	1.2
90.79979	1.2
91.02519	1.1
91.05495	3.1
93.02612	1.0
95.39742	1.0
97.02908	13.2
97.07585	1.1
98.06066	13.5
98.97603	8.0
99.04466	1.5
108.08127	2.3
109.02874	1.5
110.97598	2.8
115.03967	5.4
116.07117	1.3
116.98634	6.7
117.01901	1.2
119.01897	4.1
119.04978	5.7
121.06527	2.0
122.07154	2.4
127.03924	8.6
128.98611	3.2
129.05493	1.3
133.04968	1.9
134.99644	3.4
136.07584	60.1
137.04573	1.8
137.05974	1.2
143.00183	1.7
145.04976	2.4
146.06050	1.8
146.99648	4.6
147.04407	17.7
148.04822	1.6
149.01169	1.5
150.05528	2.2
152.05670	2.0
152.07008	1.2
153.06578	1.0
158.99655	1.8
161.01189	3.3
161.02936	1.4
163.04050	1.6
164.07094	8.2
165.00748	1.3
170.99695	1.4
173.02834	1.4
174.04465	2.6
175.00929	2.3
175.02693	1.2
175.04605	1.3
177.00720	4.0
182.08138	100.0
182.11671	3.3
184.04997	1.7
186.99100	1.3
189.00671	2.3
190.01247	1.9
190.98694	1.3
191.02225	1.7
191.03946	1.3
193.00232	1.5
193.01898	1.8
193.03687	1.1
196.01303	1.3
197.06595	2.0
201.00777	4.2
203.03986	1.7
205.00156	1.4
205.01895	2.8
205.05522	4.4
214.02328	2.7
214.05901	1.4
219.01773	7.2
221.05064	1.8
225.07048	1.6
225.57101	2.9
226.05980	2.9
226.07971	1.5
227.04536	1.3
227.06790	3.0
235.02925	4.8
237.02824	10.9
241.06549	9.3
241.56787	1.7
242.99704	1.2
248.96005	1.4
255.03989	1.3
263.06229	2.1
277.06088	2.4
279.03784	1.9
279.09122	1.4
284.03036	1.7
295.07043	4.0
305.03604	2.0
314.04068	2.5
326.08160	2.4
344.09253	5.6
344.13342	3.3
367.08954	1.2
368.40002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
54.21876	1.4
55.01854	2.4
55.05262	2.4
55.05511	34.7
56.05024	3.2
57.03433	3.0
57.07077	7.8
60.39709	1.5
65.03947	1.5
67.05177	2.4
67.05508	36.4
68.05009	1.7
68.05840	1.6
68.79778	1.6
69.03419	4.1
69.07069	54.1
69.58734	11.1
70.06608	2.1
71.04987	5.6
71.08623	5.8
73.06561	2.3
79.05501	21.5
79.05939	1.3
81.07056	100.0
82.07392	2.7
83.04987	7.1
83.08620	25.4
84.04507	68.7
85.02908	8.0
85.04835	2.6
85.06549	7.8
91.05476	19.8
91.96368	1.5
93.07043	46.5
95.04975	9.6
95.08607	87.2
96.04477	5.8
96.08937	2.1
97.02903	8.8
97.06541	11.8
97.10162	12.8
98.06086	1.7
98.97556	2.5
99.08092	2.9
101.06022	1.5
102.05540	4.2
105.07039	22.6
107.08604	25.8
109.06546	7.7
109.10159	36.7
111.08089	8.5
111.11743	3.6
115.07541	2.0
117.07028	1.8
119.07800	2.1
119.08593	28.0
121.10160	25.4
123.08106	7.1
123.11709	27.5
125.09639	6.7
127.07520	2.0
130.05016	24.7
130.84825	1.4
131.04964	1.9
131.08572	2.5
133.06464	1.6
133.10136	18.0
135.11688	21.5
137.05981	3.1
137.09610	6.1
137.13258	19.4
138.05486	10.8
139.11185	3.6
141.09048	2.0
145.10094	7.8
147.04425	1.7
147.11700	12.6
149.13251	9.4
151.11177	6.4
151.14775	2.3
153.12697	1.7
155.10646	1.8
159.11723	4.7
161.13269	26.6
162.13689	1.6
163.11215	5.2
163.14781	3.2
165.12724	2.3
173.13257	2.2
174.07629	2.1
175.14842	3.8
177.16393	3.1
179.14331	6.7
181.04980	2.3
181.12204	2.9
189.11249	4.0
189.16296	2.2
196.16960	8.6
199.13322	2.9
201.16394	2.6
203.18059	2.3
214.18022	91.8
215.18219	7.0
243.12299	4.0
262.18018	13.5
263.18292	1.7
271.24298	3.3
279.20670	5.8
280.19058	23.4
281.70972	1.4
289.25226	5.4
297.11188	1.6
307.26303	6.3
308.18518	3.3
325.21265	14.5
326.19565	38.7
327.20087	4.4
343.11697	3.5
343.22302	69.8
344.17007	4.9
344.22528	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01863	2.9
55.05515	17.8
56.82053	1.7
56.96576	1.7
57.03443	2.6
57.07083	10.3
59.05001	2.5
67.05165	2.8
67.05508	35.9
69.03423	7.4
69.07072	45.7
69.39251	7.7
69.39677	9.9
70.34866	1.7
71.04984	6.1
71.08633	9.6
79.05493	22.6
81.03411	4.2
81.07063	100.0
82.07397	2.1
83.04981	4.9
83.08630	12.7
83.97105	2.0
84.09002	1.7
85.02895	5.4
85.06546	5.9
91.05481	18.4
93.07054	49.1
94.17335	1.7
95.04975	12.2
95.08610	90.3
96.08955	2.3
97.02894	5.1
97.06520	7.7
97.10171	8.3
98.97587	2.8
99.08119	3.7
100.11243	2.3
105.07039	34.4
107.04982	1.8
107.08599	43.3
109.06499	6.4
109.10163	51.6
111.08091	5.4
111.11739	5.2
117.07022	4.4
119.08583	26.8
121.06551	2.2
121.10152	33.3
122.02924	1.9
123.08086	5.3
123.11723	39.9
125.09727	2.8
126.85445	1.9
131.04955	3.4
131.08554	8.6
133.10132	23.7
135.08125	2.1
135.11699	29.2
137.05989	7.4
137.09656	8.7
137.13258	21.0
139.11166	6.8
143.08444	2.4
145.10124	11.4
147.04376	2.4
147.11685	19.7
149.13297	20.2
151.11211	6.3
151.14784	2.9
153.12764	2.7
155.10712	2.1
157.10135	2.0
159.11693	8.8
161.05978	2.0
161.13257	7.8
163.11234	10.3
163.14809	10.3
165.12761	5.3
167.06952	3.3
167.14363	3.6
171.66406	1.9
172.13425	3.2
173.11877	2.3
173.13287	4.5
174.06693	1.7
175.03976	2.2
175.07448	2.4
175.14847	7.9
177.12753	2.5
177.16374	18.0
181.04997	2.7
181.12228	4.0
187.14798	4.9
189.16408	6.0
191.18015	3.8
195.17468	3.6
201.16431	5.4
203.17986	3.6
205.19635	1.9
207.17462	2.1
215.17958	2.6
221.18965	1.9
265.08682	2.4
265.99872	2.1
271.24170	10.5
283.09738	3.1
289.25455	9.0
307.26389	5.0
311.09033	1.9
311.12607	2.7
325.13898	2.4
339.31714	2.4
343.11734	8.5
343.15436	3.2
343.22653	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.01861	6.0
55.05511	40.6
57.03443	5.1
59.04984	4.6
62.55291	2.1
65.03923	5.0
67.05500	95.0
69.03419	6.3
69.07064	46.5
69.92815	6.9
69.93210	4.6
71.04987	56.8
79.05489	84.6
81.06575	5.5
81.07054	84.5
83.04982	25.2
83.08607	19.8
85.02863	2.6
85.06531	13.1
89.29021	2.1
91.05474	78.5
93.07035	100.0
94.07365	3.0
95.04965	15.7
95.07982	2.6
95.08601	52.7
97.06521	40.1
97.10164	31.5
99.08070	3.9
103.05437	2.9
105.04534	3.3
105.07024	49.0
105.07689	4.6
107.04976	4.6
107.08593	52.9
109.06517	13.3
109.10149	32.6
110.97591	2.2
111.08073	17.0
111.11735	7.5
117.07013	22.0
117.71815	2.3
119.08576	40.4
121.06532	3.2
121.10141	57.2
123.08064	10.3
123.11713	7.8
125.09634	18.9
127.07520	3.6
129.06992	7.2
129.09106	17.3
131.08554	36.2
133.10129	33.5
135.08035	9.5
135.11685	15.5
137.05943	3.5
137.09604	6.7
137.13216	2.3
139.11168	40.9
143.08557	6.0
145.10132	23.8
147.08044	4.7
147.11684	16.6
149.09621	13.6
149.13243	4.5
151.11143	3.1
153.09097	4.1
155.10623	3.5
157.10123	9.4
157.12254	4.2
159.11667	8.8
161.09540	2.6
161.13297	4.8
163.03906	4.7
163.11082	6.3
167.10764	3.9
167.14365	2.9
169.10133	2.4
171.11717	11.0
173.11736	7.7
173.13277	10.2
175.11201	2.7
175.14905	3.7
183.11667	5.9
185.11697	4.8
187.13326	3.5
187.14838	5.6
189.09012	2.4
189.11195	3.2
189.12732	2.8
193.12178	3.3
197.13179	4.5
199.14838	2.6
203.12787	23.8
205.15919	2.9
215.17958	2.5
217.14354	26.9
225.14876	4.6
239.18045	5.6
255.10089	3.1
257.19031	11.3
263.20053	10.2
275.20035	49.3
278.31879	2.7
280.39532	2.5
289.21552	14.2
293.21014	11.0
307.22708	22.6
325.23593	3.7
343.11713	19.4
343.22803	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.90242	1.9
53.28924	2.1
55.01870	3.1
55.05505	8.8
57.03434	4.3
57.07072	4.8
59.04984	3.8
67.05498	15.9
69.03411	6.6
69.06731	4.3
69.07071	62.5
70.04063	7.8
70.07402	7.3
71.04992	14.1
71.60260	2.5
79.05501	12.7
80.03547	2.0
81.07057	21.1
83.04975	4.9
83.08587	2.8
85.06554	3.0
89.36222	2.2
91.05486	15.0
93.07047	44.4
95.04976	34.0
95.08052	4.0
95.08612	47.8
97.06508	7.6
103.05483	2.3
103.63152	2.0
105.07034	42.3
107.04958	2.9
107.08586	34.7
109.06509	9.0
109.10175	4.4
111.80517	2.5
115.05484	2.6
117.07011	18.1
119.08576	18.7
121.06484	8.1
121.10181	10.9
123.08047	15.2
129.06946	3.4
130.07776	7.3
131.08565	7.5
133.06487	4.6
133.10161	10.3
135.08069	13.0
135.11661	14.3
137.09621	2.7
141.06932	3.1
142.07834	4.2
143.08559	5.8
145.10132	53.2
147.08072	10.6
147.11678	4.0
149.09671	5.1
151.07544	29.9
153.09193	3.0
157.10152	8.9
158.97624	29.3
159.11691	5.3
159.97975	18.6
160.97342	96.6
161.09636	5.2
161.13261	3.7
163.11162	43.0
165.09204	11.1
171.11658	3.1
173.09586	3.7
173.13196	3.3
174.95248	5.9
175.11209	3.4
177.09180	4.8
179.06940	2.8
181.33978	2.3
183.11612	2.6
187.11177	4.6
188.96823	3.3
189.12752	8.9
191.14371	3.7
203.14221	4.4
206.97928	6.5
207.13850	5.9
209.15344	5.7
215.14279	3.1
221.15381	26.1
222.15846	2.8
245.15485	2.6
263.16385	7.2
269.15512	2.6
286.19241	3.1
287.16406	3.0
322.18622	4.5
325.21515	10.9
331.19229	5.3
343.08063	41.2
343.22687	100.0
343.67133	9.7
344.07419	94.7
344.17072	15.1
344.23035	5.9
364.18698	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03940	5.9
55.01865	8.2
55.05510	14.0
56.63173	3.4
57.03425	6.7
57.07077	8.3
59.04995	3.7
65.28888	3.6
67.05495	17.3
69.03419	9.0
69.07057	6.2
71.04382	7.5
71.04987	14.5
76.80740	3.0
79.05486	21.0
81.07049	22.7
81.35450	4.1
83.04975	8.0
84.97530	3.8
84.98050	3.2
85.06554	6.6
91.05481	27.5
93.07050	57.3
95.04974	55.6
95.08608	62.2
95.49831	3.2
97.06522	14.5
105.07030	82.5
107.04971	5.7
107.08599	44.9
109.06518	17.5
109.10159	8.8
111.08083	4.7
117.07018	31.1
119.08593	26.4
121.06490	13.6
121.10152	16.2
123.08058	24.4
129.07024	5.8
130.07780	9.0
131.08582	9.0
133.06538	6.6
133.10106	17.4
135.08046	22.7
135.11707	15.0
142.07816	5.5
143.08594	8.3
145.10129	83.5
146.10503	3.5
147.08049	12.5
147.11650	4.3
149.09633	7.9
151.07556	34.6
155.08528	6.7
155.14833	3.6
157.10139	15.7
159.11737	12.2
161.09648	8.7
161.13272	4.6
163.07581	4.0
163.11186	54.7
165.09103	11.6
169.10117	7.3
171.11685	5.3
175.11208	4.1
177.09100	5.1
180.16208	3.7
183.11699	5.5
187.11223	9.2
189.12804	8.4
195.11583	3.7
197.13319	4.7
203.14404	5.7
207.11850	3.6
207.13803	3.4
209.15483	3.6
215.14365	3.8
221.15364	36.8
225.12692	5.1
233.15347	6.1
269.15311	3.7
287.16391	4.5
307.20529	4.6
325.21561	15.2
343.22675	100.0
344.23111	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.01862	4.9
55.05513	18.1
57.03413	5.9
57.07061	8.2
59.04995	4.3
67.05505	22.2
67.55788	2.5
68.80926	2.5
69.03401	10.0
69.07052	8.2
69.40202	22.0
69.40610	6.5
71.04980	13.9
79.05488	19.7
81.03426	3.3
81.07057	27.6
83.04964	7.2
83.08628	6.7
85.06548	3.3
91.05477	22.0
93.07041	64.1
95.04961	42.2
95.08054	4.0
95.08604	60.7
97.06516	14.8
98.21510	5.0
98.98326	2.7
105.07027	63.3
107.04932	4.5
107.08591	41.4
109.06514	15.3
109.10159	6.1
115.05439	4.6
117.06994	20.6
119.08596	21.9
121.06518	15.2
121.10146	16.3
123.08079	23.8
123.11677	3.5
125.06000	3.7
128.06157	4.7
129.06987	5.8
130.07765	14.0
131.08568	8.8
133.06490	5.5
133.10129	16.2
135.08052	18.0
135.11670	12.2
137.09622	4.5
142.07838	2.8
143.08549	8.5
145.09033	4.8
145.10117	67.8
146.10399	3.2
147.08034	9.1
147.11700	4.4
148.09032	3.1
149.09630	5.6
151.07553	41.3
156.09348	4.4
157.10138	4.8
159.08002	3.4
159.11671	11.8
161.09576	8.5
161.13274	5.0
163.07587	2.9
163.11191	48.2
165.09100	13.0
169.10124	7.3
171.11681	6.7
173.09615	4.8
173.13278	5.1
175.11237	3.9
175.14767	2.9
177.09091	5.1
181.12247	3.4
183.11612	4.0
185.13383	3.8
187.11223	5.3
189.12749	6.1
199.14926	3.3
203.14255	6.5
207.13727	6.1
209.13347	5.4
209.15341	6.5
213.12764	2.7
215.14252	2.9
221.15358	26.9
225.13002	3.7
263.16367	6.4
282.31277	2.6
286.19150	3.3
320.21365	3.7
325.21646	14.2
326.30389	3.6
341.59332	3.1
343.22641	100.0
343.33209	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.04108	2.0
53.03928	3.7
55.01851	6.0
55.05511	15.6
57.03417	6.5
57.07056	8.2
59.04979	5.3
67.05506	21.3
69.03404	7.3
69.07066	9.1
71.01348	1.7
71.04996	17.5
71.18467	3.4
71.18800	1.9
79.05496	18.0
81.03415	4.0
81.07056	27.8
83.04975	5.8
83.08600	2.8
85.02865	1.9
85.06526	2.6
91.05479	26.6
92.50426	1.7
93.06480	3.3
93.07040	50.1
95.04971	40.6
95.08606	72.8
97.06540	13.3
97.10143	2.2
103.05454	3.1
105.07030	60.4
106.07341	2.9
107.04933	3.0
107.08595	40.1
109.06527	10.7
109.10128	6.0
111.08102	2.6
115.05433	5.5
117.07027	21.4
119.08580	25.0
121.06490	11.5
121.10117	13.4
123.08080	18.9
125.09626	3.2
128.06123	2.3
129.07025	4.8
130.07771	11.0
131.08543	6.1
133.06456	2.9
133.10115	12.1
135.04474	1.9
135.08066	24.1
135.11678	12.7
135.29752	1.9
137.05940	2.0
137.09634	4.5
143.08531	9.2
145.10117	59.6
146.10464	2.6
147.08018	7.5
147.11734	4.3
149.09615	4.5
151.07530	35.1
153.09052	3.1
155.08461	2.1
157.10103	7.6
159.11658	9.0
161.09576	8.1
161.13293	3.1
163.07471	2.2
163.11192	48.2
165.09106	12.9
168.99518	2.1
169.10086	3.8
171.11658	4.0
173.09520	6.0
173.13263	4.0
175.11165	3.3
177.09100	6.0
179.07005	3.3
187.11061	3.5
189.09024	1.8
189.12695	7.3
191.14169	3.2
195.11700	2.0
197.13261	3.0
203.14232	7.6
207.13777	4.2
209.13264	2.0
209.15340	5.1
211.51550	2.0
215.14316	3.3
221.15381	22.4
221.65936	2.1
223.14761	2.7
245.15344	3.1
263.16333	6.1
269.15411	3.7
271.17151	2.6
286.19214	3.8
287.19873	3.3
307.20483	2.3
325.21527	11.3
343.18701	15.9
343.22589	100.0
343.26849	3.3
344.22885	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42084	0.7
53.03938	1.6
55.01857	2.0
55.05514	1.4
57.03430	2.5
57.07043	1.0
60.66451	0.7
61.02936	5.6
65.03918	1.0
66.95681	0.8
67.05496	3.0
68.29295	0.7
69.03426	11.1
69.07050	1.4
70.06596	4.8
71.04996	3.0
71.58651	1.2
72.08154	1.1
73.02920	2.0
79.05471	3.0
81.03423	5.1
81.07057	5.8
84.08140	1.1
85.02912	25.1
85.06537	2.0
86.09717	5.8
87.04430	1.2
91.03945	1.8
91.05490	3.4
93.07046	5.1
95.04976	100.0
95.08605	3.3
96.05290	1.6
97.02897	9.4
97.06547	1.7
98.97583	1.0
99.04483	2.4
105.07039	5.1
107.05006	0.8
107.08601	7.9
109.02875	3.9
109.06535	4.4
109.10149	3.0
116.07088	5.0
117.07028	1.5
119.04963	2.2
119.08596	3.6
121.06486	1.6
121.10127	5.1
123.08043	1.4
127.03921	5.7
130.07825	1.4
132.04466	1.6
133.06503	0.9
135.07993	1.0
135.11691	7.6
137.05971	2.7
137.09648	2.3
137.13263	4.4
139.07573	0.9
142.03273	1.2
145.04970	4.9
145.10149	9.9
147.04430	6.0
147.11671	2.2
153.12747	4.3
163.07503	1.0
163.11188	40.6
164.07095	1.9
165.05460	1.4
165.12764	4.9
175.11320	1.1
177.05492	2.0
181.04938	5.7
181.12241	51.9
182.12558	1.0
192.94316	0.8
200.13960	2.5
201.12386	1.0
223.13319	1.9
228.13463	0.9
240.62903	0.7
265.08618	0.9
281.20428	0.9
307.15469	1.2
343.13544	5.0
343.17587	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01862	1.6
55.05504	2.8
57.03431	3.6
57.07071	2.0
59.04994	0.9
61.02919	5.1
67.05502	2.0
69.03429	15.5
69.07068	2.1
69.36809	8.1
70.06580	1.1
71.04990	3.3
73.02912	2.4
73.74414	0.8
79.05492	5.6
81.03422	6.1
81.07051	9.9
83.04974	6.5
85.02908	35.2
85.06586	1.1
86.09700	2.9
87.04450	1.9
91.03944	2.5
91.05464	3.9
93.07043	9.5
93.33578	0.8
95.04965	21.3
95.08609	2.7
97.02892	12.3
97.06531	3.6
98.20817	1.7
99.04465	1.8
103.05479	0.9
105.07021	8.2
107.04945	1.4
107.08591	11.0
109.02871	4.0
109.06516	4.4
115.05438	1.2
116.07046	1.1
117.07016	3.4
117.15668	0.9
119.08591	5.8
121.06491	3.3
121.10159	13.7
123.08080	3.4
125.05986	14.5
127.03908	9.6
130.06931	0.9
130.07791	3.2
133.06442	1.1
133.10080	1.5
135.08069	1.4
135.11694	8.8
137.05968	4.1
137.09587	0.9
143.08577	1.3
145.04956	9.1
145.06091	1.0
145.10124	18.3
147.08057	1.8
149.05899	1.1
161.05914	1.9
161.09650	1.5
163.11180	100.0
164.11511	1.9
165.09103	1.4
165.12767	4.4
167.07120	1.1
181.12234	29.5
183.10175	1.8
187.11266	1.1
205.12305	2.3
222.89226	0.9
223.13309	2.1
223.62692	0.7
307.15509	1.5
311.12695	1.7
325.16730	0.9
343.17529	3.4
360.09338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01869	1.6
57.03432	3.2
59.98889	1.0
61.02916	2.9
63.47268	0.9
66.79511	0.9
69.03436	12.7
69.66522	2.0
69.66936	5.0
71.04988	2.0
73.02910	1.5
75.89270	1.0
79.05488	3.8
81.03407	4.1
81.07063	7.2
83.04991	6.9
85.02913	31.4
87.04472	1.5
90.98930	0.9
91.03941	1.4
91.05476	3.0
93.07050	8.0
95.04971	18.1
97.02898	8.5
97.06522	3.4
98.21474	2.3
99.04449	2.7
105.07037	6.9
107.04993	1.5
107.08602	10.4
109.02877	3.0
109.06536	2.9
117.07031	3.1
119.08572	3.5
121.06488	3.4
121.10142	11.8
125.06007	11.6
127.03945	6.9
128.25986	1.0
129.05302	1.0
130.07758	2.9
135.11710	5.5
137.05986	1.8
145.04974	7.7
145.10139	17.9
147.07997	1.3
161.09663	2.0
163.11191	100.0
164.11559	1.2
165.09113	1.4
165.12788	2.1
167.07025	1.4
181.12227	18.1
183.10135	1.9
190.04985	2.5
193.12404	1.4
205.12280	2.4
223.13330	1.8
343.13504	8.5
343.17542	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.01862	12.8
55.05515	17.8
57.07070	3.1
65.03920	4.9
67.05509	59.9
69.03447	4.9
69.07069	15.8
70.06589	5.5
71.04992	45.5
73.88631	2.4
79.05495	60.9
81.03410	4.1
81.07057	100.0
83.04989	4.1
83.08601	5.0
85.02888	7.8
85.06554	48.9
86.09688	4.6
87.04469	8.6
91.05482	74.5
93.07047	91.6
95.04982	8.2
95.08611	33.9
97.02897	5.3
97.06527	20.7
97.10173	3.2
98.97618	5.1
99.04451	5.4
99.08100	60.5
101.06020	3.2
105.07034	48.1
107.04944	5.1
107.08606	29.9
109.06533	4.1
109.10167	9.7
111.04472	3.4
111.08099	8.2
117.07007	19.5
119.04964	2.9
119.08582	95.4
121.06547	16.5
121.07243	2.9
121.10137	31.6
123.08069	23.9
123.11688	2.9
125.06030	6.4
125.09634	3.8
128.06241	6.2
129.06979	12.7
131.08563	20.5
133.10127	23.9
135.08067	14.2
135.11646	5.4
137.05977	10.0
137.09619	18.5
139.07529	7.2
143.08562	24.8
145.02866	3.1
145.10135	5.3
147.08061	11.7
147.11697	9.5
151.07562	6.7
153.09103	5.0
157.10165	9.0
159.11705	13.3
161.06024	5.4
161.09637	10.3
161.13269	44.1
163.03958	10.3
163.11223	6.6
165.09181	3.1
175.11224	12.6
175.14853	31.1
177.05505	3.8
177.12819	3.6
181.04984	12.2
185.13272	58.9
193.12189	3.8
195.07814	3.5
203.14319	38.8
205.06499	5.2
219.08072	3.1
221.15398	51.1
222.06712	5.8
237.09137	3.3
239.16432	19.6
241.08589	3.0
265.08557	5.4
282.08640	2.9
286.12375	2.7
297.11392	3.6
307.09592	6.7
313.14258	4.0
325.10672	7.7
325.16605	23.4
343.11734	13.0
343.17673	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	343.1542
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
55.01871	2.5
55.05492	1.7
65.11050	1.2
67.05517	3.1
68.69590	1.2
68.94104	1.1
69.03415	1.7
69.07067	5.3
70.09850	3.3
70.10242	3.4
71.04990	2.5
79.05476	2.8
81.07063	10.0
83.04973	3.3
83.08611	1.7
84.04494	1.8
85.06527	1.6
91.05475	6.6
91.27901	1.2
93.07034	4.3
94.04197	1.6
95.04947	4.0
95.08614	5.3
97.02888	1.5
97.06557	1.5
103.05479	13.3
105.07048	13.7
106.93911	1.4
107.04941	5.4
107.08578	5.1
109.06506	4.3
109.10156	5.6
110.27981	1.3
111.08018	1.3
111.11710	2.6
115.05450	4.9
119.08578	3.2
121.10121	2.7
123.04442	1.5
123.11703	3.6
123.73997	1.5
131.04938	21.4
133.06502	8.0
133.10071	2.1
135.04428	1.5
135.08064	2.0
135.11653	2.6
137.05983	35.3
139.11206	2.1
141.07002	2.4
145.06506	1.6
146.03615	11.5
147.04352	1.9
149.05942	2.2
151.07578	9.3
161.05994	100.0
162.06529	2.2
163.07553	54.2
163.11171	2.9
165.06992	3.1
166.07806	2.9
169.06517	2.5
175.06046	2.3
175.07565	45.5
176.07907	2.3
177.05528	1.4
177.16422	1.6
178.07704	3.1
179.08546	6.2
181.06503	3.1
181.08669	2.4
181.12306	1.6
190.07809	5.2
191.08495	2.4
193.06438	1.7
194.07259	8.4
195.08014	2.3
201.09106	3.5
203.08572	2.5
205.06509	7.7
205.10112	9.0
207.08102	9.0
209.05934	2.7
209.09621	3.2
211.07495	3.2
215.08588	4.4
218.07324	5.9
219.08047	4.0
219.10179	3.3
221.06058	6.8
221.09637	2.2
222.06816	8.0
222.10400	2.5
223.07545	5.1
224.08302	5.8
232.08737	3.2
233.06084	3.2
233.09641	17.3
234.06721	4.3
234.10307	3.4
235.07555	12.4
236.08273	3.3
237.05469	3.5
237.09135	14.1
237.12743	1.7
239.07018	3.7
239.10616	4.5
241.08684	3.5
247.07759	2.2
249.05573	2.5
249.09097	4.0
250.06288	11.4
250.09879	7.9
251.06934	3.9
251.10580	2.8
252.07831	7.2
253.08607	3.0
254.09378	1.9
260.08456	2.2
261.09097	12.8
262.09933	3.9
263.07150	6.0
264.07828	5.5
265.08609	38.2
265.12238	11.5
266.09216	3.1
267.06723	2.9
267.10150	10.9
269.08124	11.6
275.10553	1.6
277.08643	2.4
278.09399	10.9
279.10135	4.4
281.08173	2.7
282.08771	6.8
283.09787	2.1
283.13321	4.1
284.10400	9.0
285.11038	1.6
293.11737	27.5
294.12323	2.7
295.09647	4.8
296.10480	1.8
297.11264	26.6
297.14502	2.3
299.12753	18.6
307.26218	2.4
310.11932	3.8
311.09189	3.0
311.12796	56.0
312.13275	5.1
325.14307	19.0
326.14783	1.7
343.11761	5.7
343.15405	57.3
344.15704	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1541
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
55.01862	1.9
70.88094	2.5
70.88419	1.3
79.05496	3.7
81.07064	2.1
91.05484	3.1
93.13689	1.2
95.08611	2.0
96.56942	1.2
103.05473	13.4
105.07039	10.8
107.04947	4.0
109.06509	3.6
109.10166	2.8
115.05460	4.5
119.08602	1.5
122.03609	3.0
129.07040	1.6
131.04933	18.6
133.06517	7.1
135.08087	2.9
137.05988	29.5
143.04970	1.9
146.03656	12.6
147.04407	1.7
149.05983	2.8
151.07518	6.6
160.05222	1.5
161.05991	100.0
162.06459	2.5
163.07553	51.7
164.07990	1.9
165.07047	2.7
166.07790	2.0
169.06511	2.7
175.07565	44.0
175.14908	1.9
177.06967	2.0
178.07834	1.9
179.08577	4.6
181.06537	2.3
181.08638	2.2
187.07469	1.6
189.06982	2.4
189.16402	1.4
190.07777	4.5
191.08575	1.9
193.06815	1.2
194.07315	7.8
195.08075	2.3
196.08891	2.3
201.09184	2.6
203.08569	3.0
205.06511	7.3
205.10126	9.9
206.07101	1.3
207.08078	8.7
208.08812	2.0
209.06029	1.9
209.09610	2.7
211.07655	1.6
215.08560	3.7
218.07271	4.9
219.08105	3.2
219.10065	1.8
221.05974	6.1
221.09592	3.0
222.06818	8.3
222.10358	3.1
223.07504	3.2
224.08351	5.1
231.08069	1.7
232.08800	2.7
233.06030	3.6
233.09627	16.2
234.06812	3.9
234.10239	2.6
235.07553	12.2
236.08275	4.9
237.05411	3.3
237.09114	13.7
239.07059	1.8
239.10704	4.2
241.08539	3.1
247.07579	2.5
249.05614	1.9
249.09085	5.6
250.06331	8.2
250.09904	9.0
251.07036	2.3
251.10748	1.6
252.07849	4.8
253.08536	2.6
254.09427	1.8
259.86804	1.3
260.08374	2.1
261.09109	14.7
262.09903	3.8
263.07025	4.7
264.07831	4.0
265.08630	38.6
265.12180	10.9
266.09207	2.8
267.10214	9.1
268.10724	1.6
269.08063	8.7
275.10703	1.3
277.08493	3.4
278.09399	11.1
279.10147	5.0
282.08807	3.7
283.10037	1.7
283.13223	2.8
284.10486	7.2
284.13367	1.3
293.11731	29.3
294.12268	4.3
295.09665	5.6
296.10321	1.6
297.08069	2.6
297.11218	23.2
297.14383	2.4
298.11612	1.5
299.12787	23.1
310.12018	3.4
311.09128	2.3
311.12790	58.6
312.13187	4.1
325.14426	15.8
343.15424	59.1
344.15802	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	343.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95316	0.3
56.96535	0.9
64.83303	0.3
71.20784	0.3
71.56886	0.4
71.57235	0.4
74.32911	0.3
83.06068	0.5
98.97034	0.3
98.97580	2.8
101.00842	0.4
116.98612	2.9
119.01878	1.1
127.06587	0.4
134.99640	2.9
137.02924	0.8
140.98914	0.4
143.29076	0.3
145.69008	0.3
158.99860	0.4
159.06136	0.8
160.04700	0.4
177.00966	5.5
178.01073	0.8
179.00720	1.0
182.99924	0.5
183.06133	2.4
192.98753	0.7
198.97746	0.4
201.01064	0.5
201.07167	2.1
211.00034	0.5
216.98738	1.4
218.03575	1.5
218.98691	0.6
219.01988	13.1
220.02092	3.6
221.01759	3.2
222.01875	0.4
222.97922	0.8
225.01080	0.4
234.99983	9.0
235.99973	1.0
236.99550	1.7
240.98921	1.6
242.03783	0.4
242.59831	0.3
243.01973	1.1
252.97446	0.4
252.98413	0.4
253.01079	3.4
255.00632	0.4
258.99982	20.1
260.00113	3.5
260.04752	1.9
261.00156	0.8
261.03006	10.2
262.03186	1.5
263.02765	1.0
264.98730	2.8
265.99265	0.7
273.98618	0.5
276.97787	2.0
277.01022	29.1
278.01083	4.0
278.03833	0.7
279.00858	1.4
280.00958	0.7
282.01456	0.8
282.99979	46.2
283.06360	2.8
284.00113	5.9
284.99814	0.9
285.99896	0.6
291.99734	0.8
294.98434	0.6
300.02777	0.6
301.01031	100.0
302.01135	12.2
302.06158	0.7
303.01157	2.1
304.00943	1.3
306.08112	0.4
318.98572	4.3
319.02130	6.7
319.98441	0.8
320.02042	0.8
324.02698	5.6
325.00919	8.8
325.07236	1.0
326.01459	0.6
342.03818	0.8
343.02094	61.3
343.08002	3.1
344.02234	6.6
360.99774	2.2
361.03271	20.1
362.03571	2.2
366.03641	3.6
367.03696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.3
55.05502	0.4
56.05010	0.2
56.96548	1.1
57.07073	8.3
57.10485	0.2
58.06599	1.7
62.06086	3.2
69.07041	0.6
71.08626	3.9
71.57968	0.4
72.08160	1.5
78.73360	0.3
81.07027	0.8
85.02901	0.4
85.10178	0.8
93.06979	0.3
95.08591	0.7
97.58599	0.2
105.07049	0.6
105.89193	0.3
107.08555	0.4
109.10184	0.3
111.26247	0.2
123.11813	0.2
133.10121	0.4
133.87064	0.3
156.17474	1.5
174.18535	4.9
197.01225	0.4
212.23636	1.2
230.24785	3.9
271.08566	0.5
273.61234	0.2
297.06366	1.5
301.14310	0.3
301.21542	1.1
320.08026	0.5
324.36377	1.0
342.37286	100.0
343.37613	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
54.79934	2.1
55.01867	6.5
55.05513	47.4
57.03439	2.8
59.44344	2.3
61.69070	2.2
67.05501	24.0
69.03431	8.5
69.07068	28.2
71.04995	3.1
71.57690	3.1
79.05496	35.7
81.07058	27.0
83.04976	6.6
83.08615	30.7
85.02884	4.7
85.06532	3.3
91.05481	13.7
93.07045	27.2
95.04959	8.8
95.08627	20.1
97.06512	6.2
97.10169	78.1
97.10779	4.9
105.07041	22.8
107.04948	6.0
107.08593	92.6
109.06522	5.1
109.10136	8.0
111.08067	3.7
117.06998	8.8
119.08582	11.7
121.06522	4.8
121.10146	9.0
123.08028	3.2
123.11694	4.5
125.09639	70.0
126.94669	2.1
127.03800	2.8
131.08577	6.7
133.10118	12.5
135.08057	17.8
135.11674	6.8
143.08574	3.7
145.10118	17.7
147.08076	2.6
147.11716	11.2
149.09583	8.1
153.09091	15.5
157.10042	1.9
157.12283	6.0
159.11676	6.7
161.13171	2.6
163.11189	8.9
165.09169	2.6
165.12709	3.1
167.10748	2.1
169.10181	2.1
171.10205	4.9
171.11571	4.0
173.13223	4.2
181.12300	3.7
185.13330	3.4
187.11191	2.2
203.12776	100.0
204.13141	2.7
209.66455	2.4
221.15288	4.4
239.17953	3.4
257.18988	11.7
275.20102	40.9
275.22815	4.4
289.21573	17.6
301.21573	10.7
307.22751	17.9
324.28937	2.6
342.24652	3.6
343.22720	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.05511	33.3
57.03432	18.1
57.07062	9.0
59.05002	8.7
60.04521	12.0
67.05505	78.5
69.03416	10.3
69.07066	43.5
71.04981	4.5
71.59608	8.6
72.51488	4.8
79.05494	68.5
81.03425	9.0
81.07057	100.0
82.07384	6.5
83.04978	7.2
83.08636	15.8
85.02895	7.5
85.06542	14.1
86.81700	5.4
88.07640	14.1
91.05474	71.8
93.07037	90.4
95.04975	19.5
95.08609	58.0
97.06509	23.8
97.10188	13.1
99.08017	4.4
105.07024	58.1
107.04922	4.8
107.08595	51.2
109.06499	17.3
109.10147	21.6
117.06991	25.2
119.08584	62.0
121.06496	5.9
121.10138	40.6
123.08080	9.3
123.11748	6.2
125.09675	5.4
126.91647	5.0
129.07034	13.7
131.08528	35.4
132.08939	5.8
133.10135	44.9
134.10455	6.4
135.08180	7.0
135.11688	18.5
137.09641	10.1
143.08604	9.3
145.05016	4.9
145.10127	35.5
147.11685	34.0
149.09662	9.8
149.13342	11.5
157.10115	13.7
159.11667	23.3
161.09775	7.0
161.13269	18.5
163.11212	9.9
165.12793	5.3
169.10109	9.5
171.11717	7.4
173.11769	6.2
173.13275	11.9
175.14891	7.8
181.12262	18.7
185.13246	20.4
203.14285	11.5
213.14856	6.8
219.17522	11.0
233.17534	4.9
235.16907	8.5
239.17986	5.9
257.18918	11.0
263.66074	4.9
275.20078	48.1
289.21536	18.5
342.21014	6.7
342.30026	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
54.22583	5.0
55.01869	11.0
55.05510	55.8
57.03439	37.6
59.05013	6.3
67.05511	90.8
69.03425	9.7
69.07063	60.9
69.47117	44.1
71.04980	17.9
77.00880	4.8
78.83977	4.7
79.05495	97.8
81.03423	11.5
81.07050	100.0
83.04974	25.7
83.08625	27.8
85.06487	7.4
88.07624	8.2
91.05478	77.3
93.07043	81.3
95.04964	18.9
95.08611	72.6
97.06522	27.3
97.10169	27.8
97.53146	5.6
104.59549	5.1
105.07033	59.2
107.04961	8.2
107.08597	83.8
109.06509	16.4
109.10160	37.3
111.08080	11.4
117.07008	25.6
118.97647	4.6
119.02982	5.9
119.08582	52.2
120.90027	5.6
121.06503	8.4
121.10130	52.1
123.07992	6.3
123.11729	8.5
125.09638	31.6
129.06985	10.3
131.08560	42.8
133.10162	31.1
135.08055	10.4
135.11652	25.6
137.09531	5.5
139.11169	22.1
145.10123	31.6
147.11679	18.4
149.09604	19.8
149.13290	12.9
151.11205	6.7
155.10657	7.1
157.10138	12.7
159.11679	20.7
161.13266	17.2
163.11203	10.8
167.10721	7.6
169.10188	7.2
171.11745	12.3
173.11783	11.3
173.13231	11.8
175.11148	7.7
175.14787	5.9
177.00621	5.3
177.12729	7.9
181.12239	9.2
183.11758	7.3
185.13220	15.9
187.14825	11.9
189.12781	10.9
193.12283	7.1
195.13786	13.8
199.14975	5.7
203.12698	6.9
203.14395	9.3
214.67299	5.8
219.17468	6.4
253.09032	7.2
257.18918	12.8
275.20078	49.2
289.21686	7.3
301.21567	8.9
319.21347	11.9
331.73599	5.6
337.22229	16.7
342.24570	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	342.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	4.1
57.07066	10.7
58.06604	3.4
62.06092	2.6
62.43305	2.2
67.05501	3.6
69.07057	7.9
70.83395	3.4
70.83737	6.0
71.08622	9.1
81.07047	9.7
83.08617	5.4
85.10139	3.2
91.05479	5.2
93.07030	4.4
95.08598	11.2
96.08968	3.0
97.10152	3.7
105.07034	4.6
107.08587	4.5
108.60943	2.7
109.10112	5.7
111.04427	4.3
111.08081	2.8
119.08606	3.7
121.10114	5.2
123.11717	3.7
133.10126	4.2
173.13307	3.1
174.00208	2.6
174.18384	3.7
230.24779	3.0
231.13707	2.7
252.47572	2.8
283.20428	3.3
283.26511	4.5
301.21594	11.3
342.24240	3.8
342.37305	100.0
342.41464	5.2
364.57477	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14446	4.0
53.03942	6.0
55.01857	6.2
55.05508	50.3
57.03433	8.9
60.04504	8.4
67.05502	88.6
69.03424	13.3
69.07068	63.3
71.04973	6.7
71.59278	8.3
79.05493	90.1
81.03443	10.7
81.07060	77.5
83.04964	14.1
83.08629	34.4
85.06525	6.5
88.07613	9.2
91.05480	63.6
93.07042	81.3
93.97517	4.1
95.04982	22.4
95.05476	4.2
95.08109	5.5
95.08609	47.1
97.06513	19.7
97.10176	41.8
105.07033	45.4
107.08591	100.0
109.06512	8.7
109.10159	57.6
111.08079	8.8
111.11764	5.3
117.07005	14.9
119.08583	41.5
121.06445	5.2
121.10150	45.3
123.08079	7.4
123.11690	9.1
125.09626	42.1
128.07288	4.0
129.06982	4.2
131.08601	23.5
133.10165	30.9
135.08046	19.4
135.11691	14.2
137.09625	26.9
139.11179	9.6
143.08531	6.1
145.10147	24.1
147.11720	28.0
149.09572	12.4
151.11180	6.2
153.09106	9.9
155.08588	5.5
157.10159	5.4
159.11681	21.9
159.52965	4.5
161.13248	9.0
163.11136	8.0
168.41194	4.8
171.11676	5.7
173.11720	48.0
173.13225	15.8
175.14760	4.9
177.12784	7.0
183.11723	6.0
187.13306	19.6
193.12273	15.9
203.12749	39.2
203.14240	4.7
233.15085	4.8
239.17888	8.0
257.18964	12.6
275.20056	62.9
280.26480	6.4
282.14661	4.8
289.21637	15.6
307.22665	11.0
342.24506	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	342.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09573	5.6
63.62395	5.7
67.05484	7.1
70.19324	26.1
81.07043	10.5
83.07077	6.8
93.07024	17.8
95.08595	29.4
105.07033	18.2
107.08598	16.2
109.10146	20.6
111.04417	8.6
119.08588	22.8
121.10117	13.4
123.11735	7.1
125.83097	5.9
133.10146	15.3
135.11751	13.2
137.19328	6.4
143.08600	8.3
144.93463	6.3
145.10109	10.8
147.11684	7.6
159.11671	12.4
171.11646	9.3
173.13177	7.7
183.51398	6.1
185.13354	9.9
205.12079	7.0
231.13591	8.9
241.19344	6.9
283.20526	10.6
301.21582	100.0
342.24365	42.3
356.68994	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	342.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.5
63.38031	5.8
69.62794	51.4
69.63187	15.0
76.35355	6.0
76.50684	6.4
81.07043	17.9
93.07012	19.8
95.08602	27.7
97.10220	7.3
99.70789	7.6
100.87934	6.5
105.07024	24.5
107.08599	21.8
109.10134	9.9
111.04465	15.2
119.08597	24.8
121.10183	14.0
131.02773	7.1
131.08502	7.4
133.10132	12.7
135.11690	15.1
145.10100	13.0
147.11667	12.2
149.13330	10.0
157.10075	9.9
205.12370	8.8
245.15317	10.5
283.20612	9.9
301.21600	100.0
304.84866	6.9
342.24292	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40289	0.2
53.03909	0.4
55.01851	0.5
55.05512	6.5
55.05753	0.3
56.05006	0.3
56.17136	0.2
57.07045	0.6
59.04964	0.8
62.06089	1.3
65.03923	0.3
67.05517	1.3
69.03434	1.1
69.07068	1.6
70.06551	1.1
71.04962	0.7
71.07343	0.3
71.08635	6.9
71.16954	0.6
72.08108	0.9
73.02876	0.4
79.05509	1.4
81.03391	0.5
81.07056	3.9
82.06539	0.3
82.07343	0.7
83.04983	6.1
83.08572	0.8
84.04478	0.6
84.08147	1.1
85.02887	0.4
85.06508	0.6
86.06066	3.9
86.09684	0.5
87.04396	0.3
91.05460	1.2
92.05818	0.4
93.07049	1.5
94.06537	0.4
94.07372	0.3
95.04942	0.7
95.08610	2.9
96.07565	0.3
96.08124	3.1
96.08733	0.4
96.08978	0.4
97.02866	1.7
97.06499	0.8
98.06043	1.6
98.09699	6.7
99.04409	0.4
99.08102	3.6
101.06026	5.1
103.05435	0.3
105.07056	1.1
107.04922	0.4
107.08560	1.0
108.08121	1.9
109.02831	0.3
109.06483	0.3
109.08849	0.3
109.10104	0.7
110.09715	0.5
111.04447	4.0
111.08040	0.3
112.07574	0.3
113.06013	0.3
114.09121	0.5
115.05461	0.3
116.10734	16.1
117.06984	0.4
117.11035	0.3
119.08550	1.0
120.04468	0.3
120.08856	0.3
121.08862	0.4
121.10083	0.3
122.03626	0.5
122.09672	1.6
123.11685	0.4
124.07546	0.9
126.09122	0.6
127.03899	0.3
127.07504	0.3
129.05498	2.3
131.04884	0.6
133.10107	0.4
135.10425	0.7
135.11586	0.5
136.11171	0.6
137.05981	4.5
137.09622	0.4
138.06326	2.3
138.09081	0.5
140.10675	0.6
141.06920	0.2
142.08669	1.5
143.10689	1.7
144.10193	0.4
145.04922	0.3
145.10092	0.5
146.02296	0.3
147.06483	0.5
147.11685	0.7
149.09731	0.3
151.07564	0.4
152.14287	0.3
153.12685	0.3
154.08664	1.3
154.12250	0.6
154.15918	3.3
155.07040	3.1
161.05916	0.8
163.07649	0.3
163.11200	0.6
164.10652	0.3
164.14317	0.7
165.12752	0.3
166.15939	2.1
168.17468	0.7
170.15366	0.4
172.09702	0.8
173.08104	2.4
175.07387	0.8
176.07840	0.6
177.05458	0.4
178.05830	0.3
178.15892	2.3
179.14357	0.3
181.04915	0.3
182.15372	0.9
183.15826	0.3
187.07510	0.7
188.07962	1.8
189.09088	0.3
190.09450	0.3
190.12268	0.7
192.08965	0.3
196.16986	8.5
198.14911	0.6
199.07555	0.3
204.08873	0.4
208.13359	1.0
211.07539	0.5
211.15263	0.3
212.07843	0.9
214.18025	100.0
215.18343	4.2
217.08676	0.5
218.08957	0.4
220.08438	0.5
226.14386	14.9
227.07045	0.4
227.14716	0.7
228.07388	0.7
232.08383	0.9
237.02846	0.3
238.09352	0.3
239.07152	0.3
240.07562	0.6
241.08151	0.7
244.15463	7.1
244.17867	0.5
248.08038	0.5
249.08615	1.0
250.09444	0.3
256.06924	0.9
257.07547	0.4
260.07916	0.5
264.11038	1.2
265.08582	0.6
266.08859	0.3
270.08783	0.7
271.09280	1.7
272.09946	1.4
277.08148	0.7
278.09036	0.5
279.09940	0.3
280.10559	0.5
281.11093	0.3
283.09467	0.3
284.10095	0.7
292.10483	3.4
293.10986	0.7
294.08420	0.3
297.10980	0.6
298.11819	0.3
299.50977	0.3
309.10715	0.3
310.11462	0.4
312.13156	0.7
324.13232	2.5
324.21774	5.9
325.13904	0.3
325.22269	0.6
342.14127	1.6
342.22800	8.4
343.11707	0.6
343.15540	0.4
343.22983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40289	0.2
53.03909	0.4
55.01851	0.5
55.05512	6.5
55.05753	0.3
56.05006	0.3
56.17136	0.2
57.07045	0.6
59.04964	0.8
62.06089	1.3
65.03923	0.3
67.05517	1.3
69.03434	1.1
69.07068	1.6
70.06551	1.1
71.04962	0.7
71.07343	0.3
71.08635	6.9
71.16954	0.6
72.08108	0.9
73.02876	0.4
79.05509	1.4
81.03391	0.5
81.07056	3.9
82.06539	0.3
82.07343	0.7
83.04983	6.1
83.08572	0.8
84.04478	0.6
84.08147	1.1
85.02887	0.4
85.06508	0.6
86.06066	3.9
86.09684	0.5
87.04396	0.3
91.05460	1.2
92.05818	0.4
93.07049	1.5
94.06537	0.4
94.07372	0.3
95.04942	0.7
95.08610	2.9
96.07565	0.3
96.08124	3.1
96.08733	0.4
96.08978	0.4
97.02866	1.7
97.06499	0.8
98.06043	1.6
98.09699	6.7
99.04409	0.4
99.08102	3.6
101.06026	5.1
103.05435	0.3
105.07056	1.1
107.04922	0.4
107.08560	1.0
108.08121	1.9
109.02831	0.3
109.06483	0.3
109.08849	0.3
109.10104	0.7
110.09715	0.5
111.04447	4.0
111.08040	0.3
112.07574	0.3
113.06013	0.3
114.09121	0.5
115.05461	0.3
116.10734	16.1
117.06984	0.4
117.11035	0.3
119.08550	1.0
120.04468	0.3
120.08856	0.3
121.08862	0.4
121.10083	0.3
122.03626	0.5
122.09672	1.6
123.11685	0.4
124.07546	0.9
126.09122	0.6
127.03899	0.3
127.07504	0.3
129.05498	2.3
131.04884	0.6
133.10107	0.4
135.10425	0.7
135.11586	0.5
136.11171	0.6
137.05981	4.5
137.09622	0.4
138.06326	2.3
138.09081	0.5
140.10675	0.6
141.06920	0.2
142.08669	1.5
143.10689	1.7
144.10193	0.4
145.04922	0.3
145.10092	0.5
146.02296	0.3
147.06483	0.5
147.11685	0.7
149.09731	0.3
151.07564	0.4
152.14287	0.3
153.12685	0.3
154.08664	1.3
154.12250	0.6
154.15918	3.3
155.07040	3.1
161.05916	0.8
163.07649	0.3
163.11200	0.6
164.10652	0.3
164.14317	0.7
165.12752	0.3
166.15939	2.1
168.17468	0.7
170.15366	0.4
172.09702	0.8
173.08104	2.4
175.07387	0.8
176.07840	0.6
177.05458	0.4
178.05830	0.3
178.15892	2.3
179.14357	0.3
181.04915	0.3
182.15372	0.9
183.15826	0.3
187.07510	0.7
188.07962	1.8
189.09088	0.3
190.09450	0.3
190.12268	0.7
192.08965	0.3
196.16986	8.5
198.14911	0.6
199.07555	0.3
204.08873	0.4
208.13359	1.0
211.07539	0.5
211.15263	0.3
212.07843	0.9
214.18025	100.0
215.18343	4.2
217.08676	0.5
218.08957	0.4
220.08438	0.5
226.14386	14.9
227.07045	0.4
227.14716	0.7
228.07388	0.7
232.08383	0.9
237.02846	0.3
238.09352	0.3
239.07152	0.3
240.07562	0.6
241.08151	0.7
244.15463	7.1
244.17867	0.5
248.08038	0.5
249.08615	1.0
250.09444	0.3
256.06924	0.9
257.07547	0.4
260.07916	0.5
264.11038	1.2
265.08582	0.6
266.08859	0.3
270.08783	0.7
271.09280	1.7
272.09946	1.4
277.08148	0.7
278.09036	0.5
279.09940	0.3
280.10559	0.5
281.11093	0.3
283.09467	0.3
284.10095	0.7
292.10483	3.4
293.10986	0.7
294.08420	0.3
297.10980	0.6
298.11819	0.3
299.50977	0.3
309.10715	0.3
310.11462	0.4
312.13156	0.7
324.13232	2.5
324.21774	5.9
325.13904	0.3
325.22269	0.6
342.14127	1.6
342.22800	8.4
343.11707	0.6
343.15540	0.4
343.22983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39140	0.4
55.05516	6.8
55.94841	0.5
57.03439	0.6
57.06821	0.8
57.07075	9.9
59.04988	0.7
61.02921	1.4
69.03430	3.5
70.00983	2.8
70.06593	7.8
81.03440	1.1
81.07053	1.0
83.08611	3.1
85.02428	0.9
85.02911	12.4
86.09709	2.0
86.47651	0.5
89.06034	25.8
91.03944	0.7
92.16011	0.5
93.07024	0.9
97.02888	3.8
98.97574	1.1
101.09657	12.0
104.05821	0.8
107.07070	26.6
107.08588	0.8
109.02901	0.8
111.04501	0.6
116.98584	0.9
127.03921	1.9
128.98643	0.7
131.04916	1.6
132.05269	1.8
137.05975	1.1
138.06377	0.8
145.02943	0.6
145.04959	2.4
147.66336	0.6
158.99686	0.6
163.13295	100.0
164.07901	0.8
164.13589	0.8
177.05481	1.4
183.14888	2.8
211.14406	2.3
217.15887	0.6
237.02766	0.7
243.93858	0.5
296.10190	0.5
312.09119	0.5
319.10690	2.0
342.14868	1.2
342.23810	1.0
360.69644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	50.3
57.03456	0.9
59.06116	2.0
60.08167	2.8
69.03427	1.9
70.06595	3.1
71.57266	1.4
72.04512	1.1
72.08144	2.1
72.96043	4.5
74.97598	1.1
78.84949	0.7
83.97606	1.0
84.04459	0.9
84.08140	1.0
84.96037	2.3
85.02916	3.8
86.09710	8.4
91.05457	0.7
91.97360	0.8
95.06119	1.8
97.02863	1.7
98.96938	1.3
98.97572	16.2
99.04478	0.8
110.07160	1.9
110.97591	1.1
116.98620	16.5
126.02310	2.3
127.03960	1.2
128.98579	1.8
132.06589	2.8
132.10266	1.3
134.99661	12.1
140.03870	2.3
141.06444	1.9
142.05362	2.4
144.03342	3.7
145.04916	1.2
146.99675	3.3
152.05724	4.9
153.00745	2.1
153.04063	1.0
158.04887	10.5
160.06480	14.6
164.05661	11.6
166.07269	2.7
167.05650	1.0
168.00854	1.9
168.05171	1.3
170.04901	3.3
171.03317	2.0
176.05931	4.6
177.00789	1.2
178.07535	7.2
180.07018	1.1
181.98222	4.0
186.01938	3.9
187.00285	3.3
188.05946	12.2
189.04376	11.9
197.00616	2.8
197.97729	3.9
198.98540	1.6
199.99275	6.3
205.01378	3.4
206.07005	18.1
207.05421	10.7
207.11266	2.0
210.02043	0.9
210.06239	16.8
210.08180	2.2
211.09349	1.6
213.00078	4.1
215.01610	8.9
215.98746	4.5
219.01802	1.3
224.08055	35.4
226.03247	1.2
228.02861	3.4
229.01460	2.6
231.01157	7.4
233.02678	1.5
239.01634	1.8
239.13962	2.3
240.99463	1.0
242.09186	1.4
244.04361	1.8
247.09857	1.0
249.02350	1.1
249.57706	1.1
255.01050	4.9
257.02600	7.4
259.00558	4.9
266.18726	1.1
268.04227	11.9
273.02176	2.9
277.01123	1.3
286.05273	6.0
298.08957	11.4
298.21243	2.9
299.09161	2.4
300.06903	1.7
301.01340	0.9
301.14246	11.5
302.12784	2.6
316.10181	5.0
319.15408	100.0
320.15750	3.3
337.16440	20.5
339.11713	1.1
342.07925	26.4
342.17041	7.6
343.04340	1.8
343.08313	2.2
361.05380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69679	2.3
53.03941	3.2
55.01872	5.4
55.05518	19.2
56.06636	2.0
57.03426	6.0
57.07082	11.5
59.04985	3.6
65.03908	2.3
67.05504	28.6
69.03432	27.5
69.07069	26.2
71.04993	16.1
71.08625	3.1
71.21553	4.1
71.21867	2.2
72.96587	2.2
75.32475	2.0
79.05500	20.0
81.03429	11.5
81.07059	100.0
83.05007	11.0
83.08614	9.2
85.02887	3.0
85.06542	8.4
86.06043	3.5
87.04454	2.7
91.05481	23.6
93.07048	67.3
94.07346	2.6
95.04974	26.8
95.08611	84.6
97.02898	16.3
97.06525	11.1
97.10176	2.8
99.04420	4.1
99.08099	5.1
100.11279	3.3
103.05475	6.2
105.06484	2.6
105.07041	28.3
107.04955	6.3
107.08591	29.9
109.06511	17.7
109.10160	35.3
111.04448	3.7
111.08078	33.9
116.10753	4.5
117.07016	4.0
119.08582	22.9
121.06560	2.5
121.10148	22.8
122.03535	2.7
123.04470	2.8
123.08086	6.7
123.11711	35.5
125.09599	7.4
125.13214	2.1
127.03936	14.5
127.07542	2.6
127.11237	4.2
128.83072	2.1
129.07001	2.6
131.04935	9.2
131.08560	9.0
133.06503	4.1
133.10135	12.1
133.24080	2.1
135.08035	2.4
135.11687	16.6
137.05984	31.5
137.09636	5.1
137.13254	57.3
139.11124	4.9
143.08563	3.7
145.10115	8.8
147.04364	5.9
147.07899	2.6
147.11713	19.7
149.09648	4.0
149.13252	9.5
151.07481	4.5
151.11198	4.6
151.14847	3.1
153.12802	5.4
157.10170	3.4
159.11691	9.1
161.05984	6.0
161.13268	9.4
163.03918	2.8
163.07535	11.0
163.11163	4.6
163.14777	3.8
165.05434	2.9
165.12810	17.0
167.07097	5.5
167.10669	2.4
173.13257	6.2
175.07562	5.1
175.14839	3.2
177.05455	5.1
177.12888	2.8
179.14305	4.8
179.23468	2.8
183.17557	2.5
185.13268	2.7
187.07533	8.0
187.14824	2.9
189.16335	3.5
201.14793	5.1
201.16512	6.3
203.17963	2.4
215.17987	3.7
217.08514	5.2
217.19572	3.9
219.08124	4.0
219.17381	2.9
226.14433	6.0
231.08139	3.1
233.19009	3.9
237.14870	3.2
244.15421	17.3
248.08374	3.2
249.09193	3.4
251.10512	3.2
251.20079	2.7
263.16678	2.3
265.08502	2.7
275.23636	5.7
281.11526	2.8
281.24908	2.6
287.16431	2.3
287.23682	10.8
291.10034	5.7
293.24765	14.8
305.17459	5.8
305.24811	22.6
309.11151	7.2
311.12543	4.8
311.25659	3.0
323.12854	5.5
323.18527	11.5
323.25793	8.8
341.10437	2.8
341.13901	18.6
341.19785	7.6
341.24704	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2089
Annotation	bohemine
Peak:m/z	Relative Intensity
54.71162	0.6
57.07053	0.7
61.15667	0.6
67.05506	1.8
69.03423	1.0
69.07066	1.3
69.84548	0.7
70.35977	2.2
79.05492	1.2
81.07050	1.9
93.07028	1.5
95.04956	1.5
95.08592	1.4
105.07025	2.4
107.08613	1.1
109.10172	1.4
119.08526	1.5
121.10130	2.9
131.08585	1.8
133.10164	0.8
134.08614	0.6
135.08107	0.8
135.11754	0.8
137.05969	0.9
143.08611	1.0
145.10133	1.1
159.11717	0.7
167.10725	1.3
173.13312	1.7
179.85156	0.8
185.13373	0.8
187.07487	0.7
248.85043	0.7
267.18304	0.7
271.09515	0.8
281.19055	1.3
300.20306	0.7
341.20886	100.0
342.21310	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01867	3.0
55.05296	0.8
55.05515	7.9
56.96558	1.1
57.03424	2.8
57.07069	0.9
59.04989	0.6
61.02914	1.1
65.03931	1.0
67.05505	14.6
69.03074	1.1
69.03430	14.9
69.07072	6.6
71.01345	1.1
71.04990	9.3
71.59702	1.2
73.40364	0.7
79.05047	1.2
79.05494	14.1
81.02972	1.2
81.03419	14.7
81.07058	31.6
83.04983	9.3
83.08612	5.1
85.02901	4.7
85.06541	3.7
91.05479	17.0
93.07050	17.7
94.04176	2.9
95.01315	1.5
95.04980	8.3
95.08611	25.6
97.02895	7.9
97.06525	8.5
97.10182	2.2
99.04459	2.7
99.08107	2.0
103.03891	1.0
103.05448	1.9
105.03445	1.1
105.07033	15.6
107.04961	4.9
107.08611	9.4
109.02872	3.1
109.06517	9.3
109.10162	7.7
111.04455	3.7
111.08096	6.0
113.09676	0.8
115.03927	1.1
115.05448	2.7
115.19884	0.7
116.98639	0.7
117.07020	6.1
119.04963	1.6
119.08591	13.6
121.06531	5.0
121.10168	5.7
122.03655	8.8
123.04446	1.7
123.08076	4.3
123.11704	2.8
125.06006	2.2
125.09639	1.5
126.10698	0.7
127.03926	6.7
128.06235	1.9
129.07001	8.7
131.04929	3.6
131.08589	5.4
133.02840	6.8
133.06523	4.1
133.10158	7.3
135.08058	3.0
135.11673	4.7
137.05983	100.0
137.09624	1.8
137.13243	5.0
138.06267	3.6
141.06981	1.4
143.04874	1.7
143.08524	3.5
144.05716	3.8
145.06519	4.4
145.10117	3.0
147.04471	1.7
147.08051	2.4
147.11699	4.3
149.05994	5.8
149.09627	2.3
149.13278	2.5
151.03937	3.6
151.06410	1.2
151.07559	14.2
153.05508	1.4
155.08568	1.7
157.06508	6.1
157.10168	2.6
158.07278	1.3
159.08066	2.0
159.11688	3.5
160.05199	4.3
161.05992	4.9
161.09612	1.8
161.13271	10.6
163.03882	0.7
163.07506	4.4
163.11212	1.2
165.05486	5.9
165.06917	1.7
165.09096	1.2
165.12787	1.6
167.07030	2.1
168.05678	1.4
169.10027	1.0
171.08110	1.7
171.11652	1.5
172.05191	5.4
173.06049	1.2
173.09673	1.0
173.11732	2.0
173.13290	2.7
174.06789	6.2
175.07561	19.2
175.11157	1.3
175.14818	1.4
176.08217	1.4
177.05482	7.6
177.09065	3.5
177.12787	1.7
179.03432	1.0
179.07083	4.6
179.14317	6.0
183.08015	0.8
183.11682	1.1
184.05139	1.0
185.05952	2.0
185.09630	1.2
185.13216	1.3
187.07552	35.6
188.07941	2.1
189.09091	13.4
189.12727	1.4
190.07753	1.8
190.09390	1.2
191.07008	1.7
191.08568	2.4
191.14301	1.1
192.09125	0.8
193.06592	0.8
195.08017	1.0
196.05215	4.8
197.05940	3.1
197.13255	1.2
199.07547	3.6
201.12776	1.0
202.07800	3.2
203.08583	14.3
203.10385	1.2
203.14403	1.0
205.06555	1.9
205.08595	2.2
207.07974	1.0
207.11891	0.9
207.13673	1.8
208.08821	1.7
209.15428	3.3
211.07547	19.3
212.04712	1.9
212.08057	1.5
213.05429	3.9
215.14439	0.9
217.08585	14.3
219.08046	8.5
219.13832	1.9
220.08846	6.3
221.05919	1.6
221.09631	2.4
221.15381	1.9
222.06609	0.8
223.07590	0.9
225.05530	2.0
225.09177	1.5
225.14774	3.5
227.07021	21.5
228.07693	2.9
231.08058	12.7
232.08755	4.6
233.06000	3.1
233.09610	1.9
233.15349	1.0
234.06776	1.3
235.07585	2.6
235.17006	0.9
236.08327	2.7
237.09116	2.5
237.14819	5.8
239.07062	12.3
240.07788	13.6
241.04984	2.4
241.08522	3.5
245.09767	0.9
247.07561	6.5
248.08351	21.4
249.05762	0.9
249.09018	5.9
249.14825	1.6
250.06377	1.0
251.06862	1.0
251.10745	3.7
251.16472	3.5
253.08618	2.9
254.09372	2.0
255.06534	15.8
256.07297	8.3
259.07574	5.9
259.16998	1.2
260.08307	2.8
261.09070	2.1
261.14816	0.8
262.09924	1.8
263.07608	1.2
263.10690	19.7
263.16437	3.2
264.07892	3.1
264.10846	1.3
265.08615	6.2
268.07309	3.6
269.07919	3.4
270.08884	39.9
271.09647	41.1
272.09827	3.5
275.10663	0.8
275.16467	2.1
276.07828	10.9
277.08588	8.4
277.17786	0.9
278.09024	1.3
279.10150	10.9
280.07565	0.8
280.10739	3.7
281.08066	2.0
281.11694	2.7
282.09036	0.8
283.09665	12.0
284.10104	2.0
287.16464	3.9
287.23782	1.0
291.10156	51.2
292.10712	8.9
293.08066	5.6
293.11472	1.3
293.17468	1.8
294.08783	1.7
295.09644	1.9
295.12964	0.8
296.10324	6.1
297.11237	3.9
305.11768	2.1
305.17462	12.6
305.24887	1.0
307.09644	1.4
308.10461	6.7
309.07889	1.2
309.11063	5.4
310.11832	1.4
311.12756	12.9
312.13184	1.1
313.10950	1.0
313.14368	1.8
323.12830	47.9
323.18588	25.2
323.25757	1.0
324.13083	4.2
341.10504	1.1
341.13858	30.1
341.19876	7.6
342.14127	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	341.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73985	2.7
53.03941	7.9
53.90618	2.5
55.01874	10.0
55.05507	28.4
55.55667	2.8
57.03433	5.6
57.07081	3.5
57.97794	2.3
59.04996	2.7
59.68324	2.1
61.02931	2.5
65.03937	2.8
67.05509	55.1
68.91318	2.7
69.03074	5.1
69.03431	66.2
69.07073	24.0
70.70089	7.3
71.01363	4.3
71.04993	21.7
73.02917	3.2
79.05495	55.3
81.03419	60.1
81.07059	91.1
83.04984	41.4
83.08638	16.5
85.02908	19.6
85.06551	10.2
87.04482	3.2
91.05476	58.8
93.07047	54.3
95.01311	3.0
95.04971	24.2
95.08607	89.7
97.02889	25.2
97.06530	29.7
97.10173	8.3
99.04462	7.7
99.08098	7.0
102.88502	2.4
103.05502	3.5
105.07031	58.0
107.04961	9.7
107.08596	35.5
109.02894	12.9
109.06523	25.5
109.10155	16.8
111.04433	7.2
111.08051	12.1
113.06002	2.8
115.05463	3.8
117.07033	16.3
119.08578	56.1
121.06498	15.6
121.10149	21.8
123.04425	4.5
123.08060	19.1
123.11714	3.9
125.05930	3.3
125.09621	7.4
127.03928	34.3
127.07503	2.7
128.06236	3.4
129.06976	12.0
131.05037	4.3
131.08566	20.9
133.02812	12.2
133.06491	11.2
133.10139	30.7
135.08076	19.1
135.11699	15.4
137.05983	23.9
137.09605	6.2
137.13257	5.4
143.08620	7.1
145.06505	4.8
145.10089	12.8
147.08047	7.1
147.11719	11.8
149.06007	7.9
149.09653	3.5
149.13318	2.9
151.07545	32.1
155.08571	5.0
157.10135	5.7
159.08087	5.6
159.11717	11.9
161.05981	5.7
161.09576	3.9
161.13274	39.7
163.07489	4.3
163.11162	3.1
167.07109	5.9
169.08643	3.0
169.10080	4.3
171.08020	4.3
171.11737	9.2
173.09570	6.0
173.11778	8.3
173.13290	7.4
175.07597	7.5
175.14809	5.3
177.12776	7.9
179.14326	21.5
181.10143	3.7
183.11662	4.9
185.09615	3.5
185.13268	5.0
187.07483	6.5
187.14783	2.6
189.09204	5.2
189.11139	2.7
189.12802	3.9
191.14319	7.8
195.13802	5.2
199.14722	3.7
201.12723	3.0
203.14188	3.4
207.13850	8.9
209.13564	4.1
209.15326	15.2
219.13861	10.8
221.15410	4.4
224.11569	2.5
225.14880	11.6
227.14273	2.9
233.15390	5.3
235.16933	3.7
237.14838	21.6
245.15381	3.6
251.16519	15.1
255.15994	3.0
259.16919	4.5
261.14886	3.2
263.10614	3.2
263.16446	12.9
265.08661	3.0
267.71024	2.8
269.15320	5.8
275.16315	6.8
277.17993	6.4
279.10037	2.8
287.16357	20.0
293.17493	6.9
295.24292	6.8
295.34033	3.1
305.17493	45.7
309.11398	5.3
311.12787	3.1
323.18530	100.0
324.18814	5.6
341.10327	3.0
341.13763	11.7
341.20053	30.2
341.24878	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	341.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
53.29464	1.8
54.73163	1.7
55.01873	6.7
55.05515	28.2
57.03437	6.4
57.07075	3.5
65.03928	4.8
67.05508	47.3
68.99796	2.3
69.03431	48.2
69.07071	25.9
69.52994	8.2
69.53415	7.3
71.01339	3.7
71.05009	16.1
73.02910	3.5
79.05499	39.9
80.16576	1.7
81.03425	43.4
81.07059	100.0
83.04989	28.7
83.08623	14.4
85.02920	12.8
85.06541	8.9
85.89470	1.9
91.05481	38.8
93.07050	60.3
95.01343	2.6
95.04974	20.7
95.08613	79.1
97.02888	19.7
97.06546	22.5
97.10178	6.6
99.04456	10.5
99.08097	6.8
103.03947	2.4
103.05482	7.3
105.07037	42.3
107.04969	7.5
107.08592	30.8
109.02875	8.0
109.06521	17.1
109.10163	25.1
111.04450	5.4
111.08091	9.7
113.09633	1.9
115.05455	2.6
117.07027	10.4
119.04986	2.5
119.08585	40.0
120.08131	2.4
120.60761	2.1
121.06512	14.2
121.10139	21.5
123.04459	5.1
123.08086	14.4
123.11713	9.4
125.06032	2.9
125.09688	2.9
127.03941	19.0
128.06245	4.0
129.05283	1.8
129.07016	10.1
131.04907	10.2
131.08583	17.8
133.02837	2.4
133.06503	10.1
133.10143	25.9
135.08067	11.1
135.11710	18.9
136.93918	1.9
137.05988	25.1
137.09619	7.4
137.13254	9.0
139.07550	3.0
139.11182	3.5
141.07008	3.1
142.63069	2.1
143.08574	7.3
145.02863	3.2
145.04991	2.4
145.06480	4.6
145.10106	9.9
147.04407	4.9
147.08031	5.7
147.11705	9.2
149.06007	4.2
149.09633	4.3
149.13281	6.6
151.07542	24.3
153.09132	2.5
155.08580	3.2
157.10126	5.8
159.08031	5.0
159.11734	8.7
161.06001	4.9
161.09633	6.0
161.13255	37.1
163.03865	2.4
163.07581	6.5
163.11212	4.2
163.14804	3.7
165.07008	2.6
167.07079	4.0
167.10666	2.0
171.08052	4.5
171.11662	4.1
173.09647	2.9
173.11765	5.5
173.13283	6.5
175.07571	4.7
175.14822	3.2
177.05502	4.1
177.12775	4.3
178.05858	2.3
179.03409	2.2
179.10783	2.2
179.14299	16.5
183.11671	2.7
185.13333	2.6
187.07539	9.3
187.11157	2.1
187.14847	3.7
189.09166	4.4
189.12799	3.2
189.25766	2.1
191.14255	3.3
195.13818	3.5
197.13248	2.1
197.15370	2.7
201.12766	3.8
202.07739	2.3
203.17900	2.4
205.15988	2.2
207.13808	5.0
209.13481	2.7
209.15398	10.7
214.18040	2.7
219.07967	2.9
219.13910	6.8
221.15321	4.6
223.16992	2.2
225.14897	7.9
227.14267	2.2
231.13689	2.3
233.15378	3.3
237.14847	18.4
245.15451	4.2
249.14827	2.5
251.10655	3.2
251.16403	6.9
259.16934	3.6
263.16388	9.4
269.15533	4.4
275.16391	2.1
277.18063	6.6
281.11749	5.1
287.16348	13.6
291.10043	3.4
293.17609	4.9
300.09961	2.6
305.17484	38.6
305.24771	4.3
309.11246	6.2
311.18945	1.9
323.12726	3.2
323.18539	65.0
323.25320	2.9
324.18878	4.8
341.14047	16.2
341.19498	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	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01876	11.6
55.05511	30.1
56.96538	2.3
57.03425	7.8
57.07059	6.8
62.58568	2.1
65.03927	2.1
67.05508	55.7
68.99792	2.3
69.03429	53.9
69.07066	40.0
69.07425	1.3
70.62555	5.4
71.01368	2.3
71.04993	18.5
71.89960	1.8
73.02914	2.5
79.05051	3.1
79.05492	39.8
81.03419	45.7
81.07056	100.0
83.04975	28.0
83.08615	25.2
85.02496	1.8
85.02913	19.5
85.06544	13.2
87.04478	2.4
91.05476	43.1
93.06474	3.8
93.07042	61.1
95.01328	3.2
95.04961	26.8
95.08607	85.1
97.02905	24.5
97.06533	23.1
97.10162	9.1
99.04453	8.8
99.08088	7.6
100.11266	10.2
103.03947	2.0
103.05460	15.2
105.06387	3.2
105.07037	44.5
107.04978	10.3
107.08602	27.7
109.02879	11.0
109.06519	25.2
109.10159	24.4
111.04466	10.4
111.08090	30.0
113.09593	2.3
114.09148	2.0
115.03933	2.0
115.05481	2.4
116.98615	3.1
117.03336	2.2
117.05492	1.7
117.07024	12.7
119.04959	3.9
119.08582	43.5
121.06520	12.9
121.10147	23.8
123.04402	4.9
123.08084	14.2
123.11727	13.2
125.05975	4.0
125.09624	5.9
127.03912	24.5
129.07014	10.8
131.04926	18.3
131.08580	15.3
133.02841	1.9
133.06532	10.5
133.10144	26.2
135.04449	3.1
135.08026	11.8
135.11670	16.7
137.05988	26.8
137.09627	5.1
137.13261	14.0
139.03868	2.1
139.07524	6.9
139.11159	6.7
141.06969	4.6
143.08562	7.4
144.05676	2.4
145.02879	4.6
145.06465	2.9
145.10144	11.5
146.03157	2.5
147.04381	5.2
147.08029	7.3
147.11691	9.0
149.05965	7.9
149.09608	8.4
149.13243	9.1
151.03879	2.3
151.07555	28.6
151.11163	3.6
153.12683	2.0
155.08571	4.0
157.10132	6.2
159.08043	7.3
159.11685	10.8
161.05966	5.7
161.09602	6.8
161.13252	34.6
163.03833	2.1
163.07529	18.5
163.11212	4.7
165.05481	2.1
165.09207	3.3
165.12744	2.1
167.07025	4.5
169.08669	2.1
169.10188	3.0
171.07983	3.6
171.11682	6.7
173.09581	3.4
173.11826	3.5
173.13287	7.6
175.07570	5.0
175.11206	4.2
177.05484	6.5
177.12691	5.4
178.05815	2.4
179.07202	2.4
179.10622	2.8
179.14297	17.6
182.15569	3.5
183.11711	2.4
185.09587	2.9
185.13223	2.8
187.07616	9.2
189.09094	4.7
189.12770	5.6
191.08653	2.3
191.10622	2.5
191.14339	5.3
195.13795	5.6
197.13266	1.9
199.07559	2.6
199.14798	2.7
201.12721	4.9
203.14345	2.5
207.13803	5.7
209.15349	7.6
210.14842	3.8
211.15114	2.4
219.07887	2.4
219.13783	6.1
221.15378	3.1
225.14742	10.0
231.13780	2.7
233.15247	3.9
235.16855	2.4
237.14836	19.9
244.15430	7.9
245.15363	3.9
248.08342	3.8
249.09106	2.0
251.16470	7.3
259.07327	1.9
259.16956	3.1
263.16476	9.5
266.05481	2.0
267.16208	3.0
269.15268	3.3
275.16476	3.2
277.08368	3.2
277.18015	4.8
279.10217	2.4
281.11670	2.4
281.17499	3.2
287.16437	17.2
291.10199	3.6
293.17596	4.6
305.17493	33.6
305.24683	4.0
309.11118	8.0
323.15195	3.1
323.18497	70.0
323.25525	5.2
324.18628	4.1
341.10458	1.9
341.13858	12.8
341.19547	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	341.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41821	3.6
50.81836	2.8
53.03939	11.0
55.01867	9.2
55.05515	25.0
57.03434	8.7
57.07083	3.7
59.02754	2.8
62.21959	3.4
65.03939	3.9
67.05505	58.6
69.03431	61.3
69.07064	25.4
71.01346	4.0
71.04992	19.9
71.59300	2.9
71.59747	5.0
73.02925	3.6
74.59097	2.8
79.05497	57.4
81.02985	3.9
81.03425	59.9
81.07061	100.0
83.04990	32.5
83.08601	16.2
85.02910	23.7
85.06535	10.8
91.05486	54.8
93.07040	50.2
95.01324	4.3
95.04957	20.3
95.08611	82.1
97.02890	29.0
97.06535	30.4
97.10157	8.4
99.04477	16.3
99.08105	7.5
103.03954	3.8
103.05441	4.7
105.07037	52.8
107.04965	11.2
107.08601	33.6
109.02892	17.6
109.06522	24.6
109.10146	16.7
111.04455	5.9
111.08080	9.5
117.07022	17.6
119.04893	4.3
119.08582	56.9
121.06507	16.0
121.10158	14.6
123.04414	9.6
123.08075	14.2
123.11716	3.8
125.09628	4.9
127.03914	32.7
129.07008	13.4
131.04941	6.1
131.08563	22.0
133.06505	11.0
133.10126	33.1
135.08051	13.1
135.11722	14.9
137.05983	32.0
137.09605	7.1
137.13245	6.6
139.07419	3.4
141.06996	3.9
143.08572	11.0
145.06496	7.8
145.10133	18.3
147.08025	11.1
147.11702	10.8
149.06001	6.5
149.09662	6.0
149.13319	6.6
151.07556	33.3
153.09113	3.0
155.08559	5.5
157.10132	10.2
159.08043	10.1
159.11700	8.9
161.05974	8.0
161.09596	6.7
161.13245	37.7
163.07541	5.8
163.11200	3.1
166.29875	3.1
167.06998	10.4
167.10661	3.9
169.10126	3.9
171.11711	9.4
173.11758	8.0
173.13293	12.5
175.07542	7.1
177.12808	6.6
179.03308	3.5
179.14284	20.7
185.13277	5.4
187.07571	10.7
189.09140	7.1
189.12685	4.1
191.14308	4.3
195.13782	6.5
199.14987	3.9
207.13800	11.7
209.15353	10.9
215.14268	4.5
219.08006	3.2
219.13776	10.6
221.15378	4.7
225.14894	10.6
231.13992	3.4
233.15385	5.1
235.16899	7.1
237.14935	22.3
240.07863	3.7
248.08360	5.0
249.14937	8.5
251.10652	4.0
251.14212	4.0
251.16486	14.1
259.17007	4.7
260.02042	3.2
263.16492	15.7
269.15332	6.0
275.16531	7.0
277.08725	4.6
277.18060	11.7
279.10052	3.5
287.08997	3.7
287.16479	22.5
291.10129	7.1
293.17456	8.4
295.24081	3.6
305.17496	57.3
309.11313	6.8
323.12799	6.6
323.18542	99.9
324.18750	4.4
341.13754	13.6
341.19839	27.3
341.24783	12.7
352.96603	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01865	13.2
55.05510	16.3
56.96557	2.3
57.03422	3.0
57.07070	2.2
65.03938	2.7
67.05511	29.8
67.57642	1.6
69.03430	33.8
69.07069	18.6
70.75975	4.8
70.76350	3.8
71.04993	12.5
79.05499	30.5
81.02973	3.6
81.03422	32.6
81.03870	3.7
81.07059	54.9
82.48814	2.1
83.04985	18.5
83.08616	6.5
85.02908	16.2
85.06546	5.7
91.05482	32.7
91.77544	1.9
93.07047	34.0
95.04449	2.0
95.04960	13.6
95.08602	49.3
95.09167	3.6
97.02915	15.7
97.06530	15.4
97.10159	2.0
99.04452	6.2
99.08101	4.8
103.03972	2.1
103.05446	5.3
105.03417	2.5
105.07031	35.9
107.04944	7.8
107.08611	19.0
109.02895	8.5
109.06523	14.9
109.10158	14.0
111.04456	5.8
111.08083	58.1
114.11648	1.9
115.03909	2.9
115.05473	3.4
117.07042	9.9
119.04948	4.4
119.08600	29.5
121.06522	12.4
121.10154	11.6
122.03642	8.2
123.04434	3.9
123.08066	11.3
123.11742	7.0
125.06031	3.8
125.09638	2.8
127.03925	20.5
128.06186	3.1
129.07025	10.1
131.04922	7.6
131.08569	11.9
133.02870	4.6
133.06477	15.5
133.10152	16.8
135.08073	7.4
135.11693	9.0
137.05980	100.0
137.09593	4.3
137.13231	3.6
138.06302	3.4
139.07594	2.0
141.07022	3.9
143.08603	4.0
145.06543	5.3
145.10139	8.4
147.04449	9.4
147.08064	7.7
147.11687	7.3
149.05984	8.4
149.09543	3.8
149.13255	4.0
151.07550	18.5
153.08922	2.3
155.08580	2.5
157.06488	3.4
157.10153	6.3
159.08064	9.0
159.11763	5.4
161.04665	2.6
161.05971	32.1
161.09631	5.0
161.13272	18.7
163.03951	2.9
163.07541	7.7
163.11157	3.5
165.05450	2.8
165.06989	2.0
167.07076	4.8
167.10680	3.0
169.10114	3.0
171.08015	3.2
171.11739	6.3
172.05264	2.2
173.11832	3.6
173.13261	5.6
175.07562	20.4
175.14828	2.4
177.05460	5.3
177.09174	2.6
177.12750	4.0
179.07071	3.4
179.14352	12.1
184.05237	2.3
184.54767	2.3
185.09644	2.2
187.07492	19.1
187.14827	3.4
189.09109	7.1
189.12804	2.4
190.07858	2.3
191.07010	4.6
191.08575	7.0
191.14357	3.5
199.11325	2.2
201.12872	3.4
202.07709	4.2
203.08594	7.2
203.14223	3.5
207.13835	6.8
207.17433	3.9
208.08856	2.4
209.08067	4.1
209.15424	8.2
213.16406	2.5
217.08574	12.7
219.08054	13.0
219.13797	6.0
220.08733	7.5
221.07997	2.4
225.14890	6.3
231.08073	13.8
232.08644	2.9
233.15245	3.3
235.07544	3.9
236.08279	2.1
237.09100	3.6
237.14737	12.7
247.07581	8.2
248.08392	9.8
249.09077	5.4
251.10690	9.0
251.16437	7.0
253.08479	2.4
259.07590	11.3
260.08142	3.9
261.14902	2.4
263.10663	9.1
263.16443	9.7
264.07751	4.6
265.08609	4.7
266.09518	2.6
267.15988	2.6
270.08832	2.6
271.09616	4.2
275.09329	4.9
275.16489	2.6
276.07874	6.1
277.08499	4.2
277.18079	3.0
279.10129	14.3
280.10849	3.4
281.11694	4.9
287.16415	10.4
291.10181	26.0
292.10797	8.5
293.08160	3.7
293.11258	2.6
293.17419	4.4
295.09717	3.6
296.10410	4.5
305.10355	2.5
305.17505	25.8
308.10284	5.5
309.11179	8.4
311.12808	22.2
313.10571	3.6
323.12845	35.5
323.18463	45.1
323.25665	3.0
324.13168	4.6
341.09943	4.3
341.13864	63.2
341.19583	18.0
341.24115	1.9
342.14282	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	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.2
55.01873	8.5
55.05518	28.7
56.82775	3.7
57.03424	7.7
57.07079	4.8
65.03945	3.8
67.05512	67.4
69.03434	47.1
69.07081	29.6
71.01345	5.9
71.05006	23.8
71.59899	5.9
79.05494	60.3
81.03416	55.7
81.07061	99.3
83.04987	43.6
83.08620	18.6
85.02911	32.4
85.06555	11.9
91.05472	40.0
93.07055	68.8
94.07186	4.1
95.04964	23.6
95.08611	100.0
97.02879	30.1
97.06537	49.9
97.10175	9.5
99.04455	14.6
99.08104	7.2
102.22611	4.4
103.03989	7.4
103.05442	5.6
105.03436	5.5
105.07031	57.9
107.04968	14.0
107.08610	43.4
109.02892	15.8
109.06523	25.5
109.10154	26.1
111.04432	20.6
111.08089	16.7
113.06029	11.3
115.03944	4.8
115.05499	6.0
117.06989	21.6
119.04995	5.6
119.08579	76.4
121.06495	18.8
121.10140	34.6
123.04449	10.6
123.08078	17.4
123.11652	6.6
125.05969	5.5
125.09641	5.0
127.03896	35.3
129.07018	16.8
131.04936	7.1
131.08575	29.6
133.02879	13.9
133.06531	10.4
133.10146	30.2
135.08076	10.4
135.11708	16.7
137.05975	65.2
137.09592	6.0
137.13261	9.1
139.07558	5.8
143.08543	11.4
145.05005	5.9
145.06470	8.5
145.10141	19.9
147.08049	9.9
147.11743	15.2
149.02353	15.2
149.05986	10.1
149.09572	6.5
149.13225	9.6
151.07542	32.4
155.08607	7.6
157.06520	7.6
157.10135	10.1
159.08066	9.4
159.11716	19.6
161.06015	14.4
161.09592	10.4
161.13271	34.7
163.07494	14.3
163.11162	5.0
164.28587	4.3
165.05489	7.7
167.07088	13.1
171.11720	10.4
173.09665	5.9
173.11871	9.1
173.13289	15.4
174.06627	5.1
175.07509	16.9
175.14882	7.9
177.05423	8.5
177.09038	5.8
177.12775	7.2
179.14328	18.6
185.13197	6.0
187.07552	19.5
189.09126	8.7
189.12703	8.3
191.10648	6.0
193.04918	12.8
201.12787	7.8
203.08592	8.6
207.13799	7.2
209.15373	12.9
217.08702	9.7
219.08072	5.6
219.13768	10.1
221.15427	5.1
225.14853	8.5
231.08078	5.5
231.13872	5.9
234.06931	4.6
237.14851	18.7
245.15324	7.0
247.07669	4.9
248.08321	6.2
249.08987	4.8
251.16411	11.8
263.10922	5.5
263.16623	8.1
271.09674	9.6
277.17990	12.2
279.10117	4.5
281.11618	6.3
287.16446	23.8
291.10156	13.6
292.10892	4.8
293.07993	5.1
295.09567	5.3
295.24219	11.2
305.17441	69.4
309.11160	12.9
323.12787	9.3
323.18506	98.6
341.06430	6.1
341.13754	28.2
341.20520	29.1
341.24179	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	341.1384
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01873	1.8
55.05489	2.1
57.03421	1.2
65.03945	1.0
67.05479	1.6
69.03406	2.1
69.07055	2.8
71.04967	1.4
71.59339	1.5
79.05474	3.9
81.03395	1.1
81.07052	8.4
84.08108	1.1
85.02921	1.5
86.09698	1.5
91.05430	6.0
93.07024	4.2
94.04176	2.4
95.04950	1.8
95.08587	2.7
97.02875	3.0
102.97548	1.2
103.05473	2.5
105.07008	7.4
107.04945	4.1
107.08570	3.0
109.06500	3.3
109.10155	2.1
115.05444	3.0
117.03368	2.6
117.06987	2.4
119.04926	1.6
119.08585	4.4
119.19621	1.0
121.06541	1.9
122.03618	6.2
123.11714	1.5
128.06186	2.5
129.06987	4.3
130.06511	2.6
131.04924	4.4
133.02835	3.1
133.06464	5.2
133.10115	1.4
135.04364	1.5
137.05977	100.0
137.13234	1.8
141.06972	1.3
145.02811	1.7
146.03268	1.1
147.04416	2.7
147.08015	4.0
149.05978	3.6
151.07521	1.8
152.81848	1.1
157.06493	1.3
159.08047	2.1
160.05229	1.2
161.05989	11.8
162.06750	1.2
163.03941	2.6
163.07527	2.8
165.06956	1.1
167.06996	1.9
171.08070	2.4
172.05136	1.3
175.07541	24.4
177.05450	5.2
177.09052	1.7
178.05782	1.4
178.80634	1.0
179.05969	2.7
187.03853	2.6
187.07571	14.6
189.06917	1.6
189.09100	2.6
190.07741	2.7
191.08551	8.1
199.07538	7.8
202.07823	1.6
203.08562	7.4
208.08730	1.3
211.07501	2.1
217.08615	4.6
218.07338	2.0
219.08057	12.6
220.08783	3.2
221.09692	1.6
227.06995	3.0
231.08063	7.1
232.08691	1.5
234.06859	1.5
235.07445	1.3
236.08270	2.3
237.09033	1.1
239.07057	2.6
240.07599	1.5
247.07582	5.0
248.08330	6.4
249.05492	1.5
249.09009	2.1
251.06908	1.6
251.07932	1.2
251.10674	13.0
255.06653	1.9
259.07504	4.4
260.08307	2.1
263.10623	4.7
265.08499	2.1
270.08856	4.2
271.09549	4.1
276.07803	3.5
277.08551	3.5
279.10141	12.9
281.11667	2.6
291.10150	14.9
292.10864	4.1
293.07660	1.1
295.06168	1.3
295.09695	1.2
296.10385	2.5
308.10059	1.3
309.07776	1.5
309.11069	4.9
311.09207	1.6
311.12686	15.7
323.05258	1.5
323.09537	1.4
323.12802	10.5
341.06604	2.3
341.10425	2.9
341.14020	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	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.05512	2.0
56.96569	2.1
67.05493	4.1
69.03430	1.5
69.07060	2.9
70.06587	9.4
71.04997	4.7
71.27029	1.6
79.05492	4.6
80.17474	1.5
81.03426	2.7
81.07082	7.2
83.04957	2.9
83.08605	2.1
85.02906	2.0
86.09710	5.9
91.05477	7.7
93.07033	3.2
94.04215	1.9
95.04972	4.9
95.08605	3.2
97.02860	2.8
98.20705	2.4
103.05482	2.2
105.07037	9.5
107.04914	3.8
107.08566	3.5
109.06526	4.0
109.10152	2.4
111.04411	2.0
115.05456	3.6
116.06349	1.9
116.07115	21.7
117.07050	3.3
119.04944	2.4
119.08633	2.9
121.10168	2.3
122.03656	6.7
127.03900	1.5
128.06277	2.4
129.07005	5.7
131.04919	4.4
131.08569	1.8
133.02821	7.1
133.06514	8.3
133.10155	3.1
137.05988	100.0
138.06285	2.3
143.08678	2.0
144.05714	5.1
144.35347	1.6
145.06526	4.6
145.10139	3.2
147.04445	3.1
149.05975	4.9
151.03816	2.7
151.07559	8.9
153.05475	2.0
157.06479	3.6
157.10056	1.4
159.08051	2.0
160.05202	4.8
161.05998	10.7
161.09622	2.3
163.07565	4.9
164.04620	1.7
165.05472	5.6
166.29079	1.5
167.07048	2.0
172.05211	6.9
173.06033	1.5
174.06775	7.1
175.07565	19.2
177.05553	8.2
177.09108	2.8
179.07050	5.1
187.07561	48.2
189.09128	12.5
190.07748	2.2
191.08551	4.4
196.05215	3.6
197.05814	2.1
199.07581	4.1
202.07864	2.4
203.08592	11.7
205.06541	2.4
205.08658	2.1
208.08798	1.6
211.07571	13.3
213.05460	5.8
217.08611	16.8
218.07146	1.7
219.08084	9.4
220.08765	4.7
221.09647	3.0
225.05452	2.4
227.07042	2.3
228.07780	3.7
231.08028	11.8
232.08755	3.7
235.07520	3.1
236.08266	1.6
237.09178	2.9
239.07019	5.9
240.07854	15.1
247.07593	4.3
248.08340	18.6
249.08963	3.9
250.06242	1.7
251.10707	6.3
253.08427	2.1
254.09393	3.2
255.06465	2.3
256.07254	12.7
259.07553	5.4
260.08319	2.8
261.09167	4.6
262.09964	1.7
263.10672	18.3
264.07822	3.5
265.08591	8.4
268.07349	2.1
269.12189	2.8
270.08960	3.8
270.12247	1.9
271.09683	45.1
276.07904	9.4
277.08621	7.0
279.10187	8.0
280.10843	1.9
281.11853	3.5
283.09583	6.8
291.10175	56.5
292.10788	7.6
293.08084	7.2
295.09741	2.4
296.10391	6.8
297.11285	5.4
305.11697	1.5
308.10480	9.2
309.11102	5.5
310.11938	1.5
311.12796	13.0
323.09265	2.4
323.12830	27.0
324.13480	1.9
341.10327	1.5
341.13858	40.2
341.20868	4.2
342.13953	2.3
344.31143	1.6
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
55.01865	1.7
55.05504	2.0
56.54076	0.8
57.03417	1.1
65.03938	1.4
67.05484	4.2
69.03423	1.7
69.07042	1.2
70.00282	4.1
71.04980	6.2
79.05489	3.1
79.74479	0.9
81.07066	4.8
82.67078	1.0
83.08598	1.1
91.05460	6.8
93.07064	5.4
94.04163	1.9
95.04958	3.9
95.08588	3.8
99.04468	1.2
100.11243	4.6
103.05450	2.4
105.07022	8.2
107.04945	4.2
107.08566	1.8
107.64889	1.2
109.06522	3.1
109.10160	3.0
111.04463	1.4
115.05450	2.5
117.03425	1.5
117.07023	0.9
119.08587	2.4
121.06487	1.4
121.10159	1.6
122.03661	6.2
123.04372	1.7
123.08088	1.2
125.05939	1.4
128.06239	1.9
129.07024	6.2
131.04903	4.3
131.08571	2.8
133.02837	6.2
133.06465	4.2
133.10095	2.3
135.08028	1.6
137.05972	100.0
138.06245	0.9
139.05437	1.1
143.08534	3.0
144.05679	3.5
145.06467	1.8
145.10127	1.1
146.03636	1.0
147.04388	2.1
147.08047	1.8
149.05959	4.6
149.09686	1.1
151.03905	2.6
151.07536	7.5
153.05421	1.5
155.04935	1.4
156.05722	1.1
156.09370	1.1
157.06441	5.0
157.10123	2.0
159.04352	1.9
159.08087	2.3
160.05191	4.1
161.06012	7.5
161.09622	3.1
162.06752	1.5
163.03886	2.2
163.07593	3.1
165.05479	4.2
165.06880	1.5
167.07028	2.8
168.05762	1.8
171.08031	1.9
172.05191	5.0
174.06755	6.7
175.07527	16.2
177.05490	6.3
177.09109	3.0
178.07697	1.4
179.06984	3.0
182.15434	4.9
187.05852	1.7
187.07535	34.5
189.07286	1.5
189.09053	10.7
191.07051	1.8
191.08604	2.2
195.11726	1.1
196.03566	1.1
196.05217	4.4
197.05984	1.8
197.13338	1.3
199.07529	4.0
202.07780	4.0
203.08537	12.4
205.06651	1.4
205.08539	2.3
208.08707	1.3
209.09726	1.1
210.14882	4.2
211.07520	14.5
212.04620	1.8
212.08034	1.1
213.05486	1.9
217.08586	14.9
218.07239	1.3
219.08098	7.1
220.08853	5.0
221.05984	1.4
221.09685	2.4
223.07672	1.3
225.05595	1.5
225.09137	1.3
227.07008	17.7
228.07658	1.9
229.14366	2.2
231.08051	14.5
232.08820	3.6
233.06000	3.4
234.06775	1.6
235.07484	2.6
236.08286	2.8
237.09114	2.9
238.12549	1.2
239.06996	12.6
240.07823	14.2
240.90118	0.9
241.04930	1.5
241.08540	2.8
247.07602	6.1
248.08307	23.0
249.05304	1.3
249.09027	4.3
251.07014	1.8
251.10625	5.2
253.08542	1.7
255.06548	18.2
256.07306	6.9
257.07932	1.0
259.07648	7.2
260.08386	2.0
261.05377	1.2
261.09155	3.4
262.06213	1.6
262.09958	2.0
263.07541	1.4
263.10693	18.6
264.07944	2.8
265.08496	5.6
268.07315	4.8
268.21466	3.2
269.08139	2.8
270.06439	0.7
270.08862	39.6
271.09637	40.5
272.10126	1.7
276.07803	12.3
277.08539	4.7
279.10138	12.5
280.10754	2.1
281.08087	3.1
281.11700	3.4
283.09628	12.3
285.11169	1.0
286.15131	1.0
291.10144	53.2
292.10669	4.9
293.08151	6.5
294.08789	1.5
295.09695	2.6
296.10406	6.0
297.11115	3.5
300.09949	2.3
302.07001	1.1
305.11765	2.4
308.10406	5.4
309.11176	4.0
311.12781	13.5
313.14359	2.5
323.12762	47.2
324.13165	1.8
326.28113	1.1
341.10254	2.0
341.13867	34.8
341.20938	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01860	2.8
57.03455	1.2
65.97401	1.2
69.03421	3.4
69.65649	10.1
70.06586	4.0
71.05006	1.6
75.97093	1.4
79.05498	5.9
81.03398	2.5
81.07053	2.4
83.04972	1.5
85.02918	2.6
86.09717	3.1
90.61845	1.3
91.05475	9.3
93.06532	1.2
93.07050	7.0
94.04205	1.8
95.04970	1.9
95.08602	1.6
97.02892	14.2
97.06502	1.6
99.04469	2.4
103.05470	20.7
105.03410	2.5
105.07037	19.0
106.07371	1.4
107.04977	4.0
107.08613	1.6
109.06512	3.7
109.40599	1.4
115.05473	4.3
117.07027	1.8
118.04147	1.6
119.04945	5.8
119.08609	2.8
121.06571	2.0
121.10159	5.1
122.03654	6.8
125.02411	1.5
127.03945	3.8
128.06233	2.6
129.06996	4.4
131.04927	34.2
131.08510	1.4
132.05727	1.9
133.02870	2.3
133.06496	9.7
133.10129	2.7
134.99644	1.3
135.04411	1.5
135.08014	1.8
136.31381	1.3
137.05978	100.0
144.05612	2.9
145.06326	1.6
146.03662	2.0
146.07269	1.5
147.04396	5.2
147.08023	3.8
149.05988	2.8
151.03911	2.7
151.07576	4.8
152.06152	1.5
154.97893	2.7
159.08055	4.9
160.05196	2.5
161.05978	24.6
161.09682	1.5
162.06755	2.7
163.03868	2.0
163.07539	36.6
165.05458	1.7
172.05206	7.4
172.98976	4.8
174.06879	3.1
175.07524	24.2
177.05557	2.1
177.09126	1.6
179.07062	2.8
187.07541	31.1
189.09096	4.8
190.07722	2.9
191.07147	1.5
191.08575	8.5
191.10445	1.6
199.07564	3.4
202.07849	2.0
203.08566	7.8
208.08852	1.5
211.07611	2.0
217.08612	12.7
219.08044	11.0
220.08830	4.4
221.06126	1.8
222.06754	1.7
230.07225	1.5
231.08037	11.7
232.08629	1.4
234.06700	1.5
235.07510	2.8
236.08310	2.8
237.09093	2.1
239.07056	2.1
240.07822	1.4
247.07510	7.9
248.08318	6.9
251.10800	9.5
253.08644	2.4
255.06477	2.0
259.07510	8.2
260.08258	2.0
261.09189	2.0
263.10831	7.3
265.08676	3.3
269.08008	1.5
270.08969	5.1
271.09589	3.6
276.07858	3.8
277.08575	2.9
279.10205	16.6
280.10840	2.0
281.07922	1.8
281.11411	1.6
291.10141	19.9
292.10797	2.6
293.07889	2.0
295.06635	1.3
295.09698	2.4
296.10406	3.9
297.11172	2.9
299.05719	4.0
308.10352	2.3
309.11191	16.7
311.12775	19.4
323.12799	24.9
341.06577	3.3
341.13782	30.1
341.20578	2.3
342.13855	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
50.17870	0.6
53.03077	0.6
53.03935	1.4
53.85498	0.6
55.01867	4.2
55.05508	4.9
56.05838	0.7
57.03428	1.0
57.07073	2.0
67.05505	4.1
69.03423	3.9
69.07066	8.4
71.04990	1.8
71.59638	1.3
77.03919	1.1
79.05511	6.1
81.03408	2.8
81.07063	17.2
83.04966	1.4
83.08605	3.4
85.02904	2.0
85.06554	1.5
89.03910	1.0
91.05476	10.7
92.06275	1.2
93.07042	8.8
94.04153	1.6
95.04969	5.7
95.08616	11.2
97.02886	3.0
97.06487	1.4
99.04451	1.4
100.07626	1.5
100.11267	9.0
101.11595	1.2
103.05471	45.3
104.05799	1.0
105.03360	0.9
105.07041	9.3
106.04123	0.9
107.04962	4.1
107.08583	6.6
109.02888	1.4
109.06509	4.3
109.10170	4.5
110.06017	0.8
111.04453	1.7
111.08059	4.1
111.11732	1.2
115.05466	5.1
117.07024	5.6
119.04922	1.5
119.08594	3.3
120.05699	5.9
121.03699	0.8
121.06503	2.2
121.10161	5.1
122.03657	7.1
123.04424	1.7
123.08060	2.1
123.11707	7.1
125.05975	1.7
125.09663	0.8
127.03920	0.8
128.06248	4.8
129.07008	16.0
131.04932	73.6
131.08580	1.6
132.05328	0.8
133.02885	0.9
133.06483	2.7
133.10115	2.4
135.04457	1.0
135.08054	7.1
135.11688	2.5
137.05978	100.0
137.13258	6.5
138.06267	1.9
139.05429	1.5
139.11147	1.8
143.08531	1.0
144.05791	0.9
145.02843	1.3
145.06517	5.0
145.10112	1.9
146.75835	0.7
147.03386	0.9
147.04456	2.0
147.08018	1.7
147.11646	1.8
148.05180	2.3
149.05954	2.3
149.09657	1.0
149.13205	1.4
151.03915	1.2
151.07588	1.4
153.05475	2.1
153.06824	0.9
153.12772	1.1
155.04944	1.0
155.06050	0.8
156.05710	1.2
157.06490	11.8
157.10103	1.2
159.04410	5.2
159.08075	1.6
159.11734	1.0
160.05240	1.6
161.05984	8.9
161.09653	1.0
161.13269	1.5
163.03906	1.0
163.07550	37.0
165.05431	0.8
165.07060	0.8
165.12828	1.4
167.04936	2.5
167.07082	3.8
167.10692	1.3
171.08057	0.9
173.05998	21.7
173.13171	0.8
174.06718	3.1
175.07550	8.7
176.94171	0.7
177.05455	3.4
177.06967	0.7
177.09076	1.6
179.05853	1.0
181.12273	0.8
182.15414	1.5
184.05272	1.3
185.05989	8.5
187.06056	1.5
187.07579	7.6
187.14877	1.1
188.08260	0.9
189.09143	4.5
189.16457	1.1
191.07027	37.8
197.13005	0.9
199.07552	8.2
201.16423	1.0
202.06209	1.4
202.07854	1.8
203.08641	2.5
205.06578	0.9
205.08517	1.4
207.06534	1.1
210.14906	3.0
211.15205	1.8
213.68002	1.8
217.06537	1.8
217.08617	27.6
218.07228	0.9
218.09157	1.0
219.08122	2.2
220.08810	1.3
221.09721	1.2
222.06717	1.3
227.17599	1.2
227.67751	1.2
231.08014	7.0
235.07584	1.5
237.09050	1.8
247.07518	1.8
248.08321	3.8
249.09081	3.5
251.06995	1.0
259.07471	7.4
260.08224	1.8
263.10730	5.5
265.08597	3.3
266.09381	1.9
269.22690	0.8
275.07147	1.2
276.07742	3.5
276.72821	0.9
277.08554	2.4
277.22949	3.0
279.10062	1.5
281.11832	2.6
287.23599	1.5
291.10162	21.3
292.10867	1.1
293.08102	0.8
293.24863	1.6
294.08722	1.0
295.09476	1.1
297.11224	3.1
305.24774	2.5
308.10510	3.2
309.11035	5.1
311.12704	1.2
323.12784	37.4
323.25745	1.8
324.13193	1.8
331.75937	0.8
340.76398	0.8
341.10641	1.4
341.13882	36.4
341.26675	1.1
342.14111	1.7
343.30734	2.1
344.30939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05518	1.7
67.05495	3.5
69.03442	1.6
69.07072	1.1
71.58994	1.0
79.05491	3.7
81.07063	5.1
83.05003	2.1
85.02932	1.1
91.05476	6.0
93.07041	2.7
94.04204	2.7
95.04973	1.3
95.08618	2.9
97.02879	1.4
97.06531	1.0
103.05508	1.8
105.07027	8.9
107.04948	2.4
107.08595	2.4
109.06550	4.1
109.10180	2.1
111.04442	1.3
115.05455	3.5
117.07020	3.1
118.30663	0.8
119.04984	1.2
119.08561	4.1
121.06503	2.3
122.03641	7.2
123.04472	0.8
123.08066	0.8
128.06247	2.6
129.07004	2.8
130.04276	1.1
131.04930	2.0
131.08574	1.4
132.05721	2.5
133.06477	4.7
135.11650	0.9
137.05980	100.0
138.06342	1.4
141.07040	0.8
143.04979	1.1
143.08537	0.9
145.06454	1.8
147.04425	1.5
147.08072	2.9
147.11739	1.2
149.06001	3.6
151.14124	0.8
155.04916	1.4
157.10181	1.0
159.08025	4.1
160.05208	1.6
161.05971	11.2
162.06778	1.1
163.03957	1.2
163.07547	1.4
165.06960	0.8
165.09236	0.9
167.07106	2.1
172.05197	1.9
175.07556	30.3
177.05531	1.4
179.07062	1.0
187.07558	11.2
189.06972	1.2
189.09024	1.2
190.07808	3.6
191.08571	10.8
199.07542	11.5
202.07822	3.7
203.08585	7.4
205.06424	0.8
207.08209	1.3
208.08865	1.1
217.08653	0.9
218.07317	2.6
219.08058	13.3
220.08754	4.1
221.06042	1.2
229.14366	1.7
230.07137	1.1
231.08098	6.8
232.08757	1.9
235.07651	1.9
236.08379	2.0
247.07581	6.3
248.08281	4.5
249.09138	1.5
251.10689	14.2
253.08588	1.1
259.07574	4.2
260.08316	1.3
261.09140	1.1
263.10770	3.9
264.07922	1.2
271.09692	2.0
276.07886	2.1
277.08597	3.2
279.10193	13.8
280.10855	1.2
281.08060	1.6
291.10107	6.7
292.10925	2.7
293.08099	1.2
295.13379	1.3
308.10358	1.0
309.11194	1.8
311.09186	1.6
311.12756	18.5
323.12759	6.3
341.10028	2.4
341.13901	4.8
341.20770	2.1
341.26785	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
58.97691	1.8
61.51674	1.8
61.65497	1.7
69.58064	2.0
69.72703	12.1
79.05469	2.4
91.05486	3.8
94.04172	2.8
98.20831	3.3
98.26309	2.0
103.05446	5.0
105.07015	6.4
105.08497	1.8
109.06503	3.6
115.05436	5.9
121.06548	1.9
122.03634	7.1
128.06195	1.9
129.07027	2.3
131.04893	5.3
132.05681	2.2
133.06497	5.1
137.05977	100.0
147.04317	3.4
147.08070	3.4
149.05917	2.4
152.01620	1.9
157.06482	1.8
159.08092	2.3
161.05988	10.8
163.07570	3.3
175.07570	30.6
187.07518	9.7
190.07793	3.1
191.08556	8.0
199.07530	10.1
202.07741	3.8
203.08556	6.1
217.08536	3.3
218.07137	2.0
219.08035	11.9
231.08113	9.2
235.07376	2.1
247.07721	4.4
248.08290	2.2
249.35231	2.1
251.10568	13.0
259.07520	4.4
263.10666	4.2
276.07660	3.0
279.10156	13.9
291.10193	6.2
292.10950	2.2
311.12738	15.2
323.12662	4.8
323.93536	2.2
341.13770	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03939	2.5
53.85127	1.2
55.01867	2.1
55.05510	4.3
57.03426	1.8
65.03936	1.4
66.57317	1.2
67.05502	8.8
69.03437	8.7
69.07072	4.3
70.71749	3.9
71.04981	7.9
71.26332	1.6
79.05491	10.2
81.03432	9.5
81.07065	19.3
81.22033	1.2
83.04985	6.5
83.08626	2.5
85.02893	3.9
85.06524	1.6
86.23676	1.2
91.05487	13.2
93.07038	7.9
94.04194	2.4
95.04959	4.6
95.08613	13.6
96.46234	1.2
97.02869	3.1
97.06538	6.5
97.10163	1.9
97.12428	1.2
99.04446	2.3
103.05475	2.5
105.07047	7.8
107.04961	4.0
107.08588	3.7
109.02884	3.7
109.06512	6.3
109.10152	5.6
110.22481	1.3
111.04419	3.2
111.08092	3.3
115.05424	1.6
117.07011	2.3
119.04957	3.1
119.08574	9.3
121.06475	2.6
121.10107	3.7
122.03641	6.1
123.04430	2.6
123.08077	2.7
125.05989	2.7
127.03904	4.7
128.06218	3.0
129.07037	7.2
131.04886	4.9
131.08577	4.5
133.02841	7.8
133.06438	1.5
133.10117	6.1
135.04356	1.8
135.08060	2.9
135.11699	2.5
137.05986	100.0
137.09573	1.7
137.13278	2.1
138.06273	2.3
143.04922	1.7
143.08601	2.8
144.05717	3.9
145.06462	3.8
145.10138	3.3
147.04524	1.4
147.08081	1.9
149.06001	6.0
151.03891	2.9
151.07549	12.0
153.05458	2.1
157.06496	5.5
157.10152	2.0
159.08090	2.0
160.05173	4.9
161.06015	3.4
161.09637	2.1
161.13275	4.9
163.07515	4.9
163.11221	1.5
165.05493	6.8
165.06776	1.6
167.07024	3.4
168.05721	1.7
171.08072	2.5
172.05225	4.1
174.06770	5.3
175.07549	18.7
176.08092	1.9
177.05455	6.9
177.09113	2.6
179.07172	2.9
179.14301	4.2
187.07558	38.4
187.11179	1.4
189.07483	1.7
189.09142	12.5
190.07787	1.6
191.06989	2.6
191.08545	2.8
196.05185	4.6
197.05988	2.2
199.07619	3.5
202.07877	3.0
203.08574	12.9
205.06578	2.8
205.08525	2.8
207.13824	1.8
209.15373	2.6
211.07544	15.2
212.04704	2.5
213.05450	2.9
217.08585	14.2
219.08049	5.8
220.08813	5.5
221.09593	2.9
225.05519	2.6
227.07028	22.6
228.07719	2.2
231.08041	13.3
232.08823	2.8
233.05943	1.6
234.06836	2.1
236.08272	1.9
237.09090	3.2
237.14839	3.1
239.07063	10.9
240.07799	9.8
241.04881	1.8
241.08543	3.5
247.07605	7.4
248.08331	20.6
249.09105	6.5
251.10724	2.7
251.16286	1.8
253.08650	2.2
253.12473	1.7
254.09297	2.0
255.06532	15.8
256.07236	9.0
259.07565	5.6
261.09140	2.2
263.06943	1.5
263.07935	2.0
263.10675	19.9
263.16489	1.9
264.07928	1.5
265.08643	6.2
268.07297	5.2
269.07986	1.8
270.08871	40.1
271.06808	2.9
271.09641	44.8
276.07770	10.9
277.08627	7.2
279.10181	11.3
280.10794	2.7
281.08362	1.8
281.11652	3.3
283.09641	13.6
287.16232	1.7
291.10162	59.7
292.10828	7.0
293.08041	4.5
293.11438	1.4
295.09732	2.6
295.13232	1.4
296.10504	6.3
297.11060	4.1
305.17563	8.5
308.10425	9.2
309.11127	3.8
311.12778	13.9
313.14267	2.8
323.12802	47.7
323.18494	12.6
324.12997	2.7
341.10049	3.5
341.13870	32.0
341.20056	5.1
342.14355	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.01719	1.3
55.05503	1.7
55.12919	1.4
57.03412	1.6
67.05484	4.5
69.03426	2.5
69.07058	3.2
71.59478	2.3
79.05473	3.8
81.07049	7.2
83.08610	1.4
84.04539	1.2
85.02875	1.7
87.80871	1.1
89.03953	1.2
91.05459	7.3
93.07037	3.9
94.04176	1.9
95.04977	2.2
95.08595	4.9
97.02879	2.3
103.05439	3.2
105.07009	5.3
107.04928	2.5
107.08557	2.5
109.06483	1.9
109.10150	4.5
111.08073	2.7
115.05444	2.4
117.07011	3.0
119.04900	2.6
119.08582	5.7
121.06448	1.9
121.10148	3.6
122.03630	5.0
123.04469	1.8
123.11695	2.0
124.60067	1.1
128.06198	3.1
129.06969	4.4
131.04898	4.8
131.08585	1.3
132.05666	3.6
133.02849	1.8
133.06490	2.9
133.10173	2.3
135.04427	2.5
137.05974	100.0
138.05453	1.6
144.05626	2.4
145.06453	2.8
145.10127	1.6
147.04387	5.1
147.08044	5.5
149.05937	3.4
151.03874	1.4
151.07545	2.3
155.04820	1.3
157.06538	2.4
157.07777	1.6
159.08038	5.8
160.05168	4.4
161.05962	11.6
161.09637	1.3
162.06731	4.0
163.03883	3.0
163.07536	3.8
165.05586	1.6
165.07045	2.1
167.06976	2.4
168.06566	2.9
175.07556	43.6
177.05437	2.2
177.09106	3.1
179.07066	2.3
184.94086	1.4
185.06010	2.2
187.07550	10.8
189.09026	3.6
191.07010	3.2
191.08559	5.0
197.12819	3.4
199.07500	2.1
202.07690	1.5
203.08507	5.2
204.00563	1.3
211.07480	1.3
217.08571	4.2
219.08009	10.2
220.08829	3.1
222.06799	1.6
231.08038	4.2
232.08618	2.3
237.09268	2.1
247.07599	4.9
248.08347	3.9
249.09099	2.9
251.10646	13.3
259.07648	2.0
260.08255	1.6
263.10629	4.1
264.07904	1.4
265.08521	2.6
270.08951	2.1
271.09546	2.4
276.07632	2.0
277.08820	1.6
279.10147	14.4
281.08273	1.7
281.11868	1.9
283.09500	1.8
291.10107	10.7
295.09460	2.1
308.10635	1.4
309.11227	8.5
311.09302	1.3
311.12717	15.8
323.09375	1.7
323.12677	8.8
341.06393	1.5
341.10303	2.3
341.13800	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	341.1386
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
51.87838	0.9
53.03931	1.5
55.01868	2.5
55.05750	0.9
57.03442	1.2
65.03931	1.1
67.05493	2.3
69.03427	2.8
69.07072	1.3
69.51809	8.8
70.06588	1.2
73.08681	1.2
79.05499	5.6
81.03416	1.9
81.07051	4.1
83.04994	2.6
84.04476	1.0
85.02906	3.5
86.09719	2.0
91.05469	13.1
93.07040	2.5
94.04192	2.3
95.04967	2.8
95.08607	2.7
96.54859	0.9
97.02895	3.4
98.97547	1.1
100.10509	1.2
103.05478	19.3
105.06382	2.0
105.07036	25.0
107.04954	7.2
107.08624	1.3
109.06496	2.9
115.05477	7.4
118.04224	1.2
118.79777	1.1
119.04955	7.3
119.08579	4.8
121.06502	2.7
122.03675	7.7
123.04404	2.5
123.08060	1.4
128.06230	3.2
129.07011	6.2
130.04152	1.0
131.04929	27.8
131.08563	2.5
132.05775	2.5
133.02834	1.5
133.06499	19.9
133.10127	1.4
135.04375	1.9
135.78943	1.1
137.05986	100.0
138.09158	1.3
141.07011	2.1
143.04968	1.3
144.05679	1.6
145.02798	1.5
145.06496	3.1
145.10081	1.3
147.04431	11.4
147.08022	5.6
148.04803	1.0
149.06018	3.2
151.07527	2.9
155.04892	1.3
157.06441	2.6
159.08020	5.7
160.05190	2.7
161.05989	63.5
161.09679	1.4
162.06708	3.2
163.03873	1.3
163.07564	28.6
165.07062	1.2
167.07059	14.7
169.06534	3.1
172.05191	6.5
174.06816	2.3
175.06050	1.5
175.07567	29.7
177.05493	3.6
177.09129	2.2
179.07010	3.3
187.07552	34.5
189.07077	0.9
189.09128	4.1
189.45116	1.1
190.07808	2.5
191.07080	1.4
191.08592	8.7
191.65981	1.2
193.08629	7.0
199.07584	2.7
202.07841	2.9
203.08572	7.6
205.06560	1.7
206.07193	1.6
207.08061	2.6
211.07562	1.4
217.08540	7.8
218.07321	2.5
219.08066	12.0
220.08827	3.6
221.09644	2.3
227.06868	1.0
229.33075	1.0
231.08076	8.4
232.08736	1.4
235.07605	3.0
236.08339	2.9
237.09134	2.8
247.07590	5.7
248.08366	5.5
249.09309	2.6
250.06145	1.1
251.10722	12.0
253.08565	1.5
256.07648	1.2
259.07559	6.1
260.08438	1.9
261.09186	1.4
263.07159	1.6
263.10660	4.0
264.07712	2.2
265.08569	3.4
267.10211	1.2
270.09009	2.1
271.09592	1.9
276.07925	3.4
277.08627	2.3
279.10184	16.4
280.10751	2.2
281.08157	2.2
281.11880	2.6
291.10141	11.9
293.08093	1.4
294.08841	1.3
295.09631	2.5
296.10300	2.4
297.11127	1.9
305.12003	1.7
308.10406	2.8
309.11246	15.9
311.09149	1.7
311.12781	21.5
313.14359	1.3
323.09216	2.2
323.12772	20.1
324.13699	1.1
341.09933	2.6
341.13837	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	341.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13063	1.0
55.05507	3.0
56.96565	2.4
57.07070	1.5
58.71769	0.9
60.47277	0.9
67.05509	4.5
69.03434	0.9
69.07065	2.0
69.95004	4.7
71.04956	1.4
79.05498	4.2
81.07053	6.4
83.04974	1.4
83.08622	2.3
91.05472	6.8
93.07038	2.9
94.04187	3.0
95.04960	2.8
95.08599	3.5
97.06548	2.4
98.24025	0.8
103.05458	1.6
105.07034	8.3
107.04948	1.8
107.08598	3.4
109.06531	3.6
109.10151	2.7
110.08011	0.9
111.21261	1.0
115.05431	3.7
117.07017	2.9
119.04848	0.9
119.08558	5.2
119.86295	1.0
121.06523	1.2
121.10155	1.4
122.03652	7.1
123.08064	0.9
123.11731	1.2
128.06218	2.4
129.06999	4.0
131.04918	1.8
131.08565	2.4
132.05724	1.6
133.06519	4.2
137.05977	100.0
138.06316	1.1
143.08540	2.1
144.05690	1.1
145.06485	2.1
145.10132	2.8
147.06578	0.9
147.08041	4.0
149.02327	0.8
149.06006	2.4
149.13336	1.1
151.07503	1.0
155.04910	1.0
157.06494	0.8
157.10181	1.6
159.08098	3.6
159.11749	1.6
160.05196	2.0
161.05980	12.0
161.09555	1.0
171.08037	1.3
171.11702	1.3
172.05249	2.2
175.07556	30.2
177.09108	1.2
183.11687	1.0
187.07527	11.3
190.07806	4.1
191.08530	7.5
199.07559	7.1
202.07845	3.5
203.08577	5.6
205.06581	1.1
205.10066	1.2
207.08109	1.3
215.10649	0.9
218.07281	2.9
219.08037	14.3
220.08768	1.4
229.07458	3.2
231.07991	5.8
232.08815	1.4
236.08179	1.8
247.07483	5.5
248.08337	2.4
249.09169	1.4
251.10680	15.5
251.88292	1.1
259.07529	4.0
261.09314	1.6
263.10742	3.8
264.07867	1.4
276.07828	1.5
277.08655	2.1
279.10172	14.8
280.10800	2.0
291.10101	5.8
292.10843	3.4
295.13205	1.0
311.12778	15.9
323.12802	3.8
333.20584	1.3
341.13876	2.9
341.20956	3.2
349.16922	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01878	5.7
55.05497	1.2
57.03447	4.5
57.07069	0.7
61.02903	3.0
64.45826	0.7
67.05479	2.0
68.99783	2.9
69.03423	5.7
70.06580	2.2
71.01350	1.2
71.04987	11.4
71.58852	0.9
72.08119	0.6
73.02896	1.8
77.07614	0.6
79.05513	3.8
81.03428	3.6
81.07050	3.4
83.04968	1.2
84.04479	0.9
85.02905	10.2
86.09677	1.8
86.36063	0.7
91.05457	7.1
93.07038	5.1
94.04144	1.0
95.04958	4.8
97.02285	1.1
97.02892	13.8
97.06511	0.7
99.04440	1.6
103.03942	4.3
103.05441	2.9
105.03341	1.4
105.07018	7.0
107.04937	3.0
107.08585	1.7
109.02869	7.5
109.06487	2.9
109.10171	0.7
111.04434	1.9
113.05961	1.5
115.05442	2.3
116.07064	1.0
117.06995	2.5
118.04050	0.7
119.04936	1.4
119.08540	2.4
121.02846	2.4
121.06507	1.7
121.10135	2.9
122.03608	2.6
122.51424	0.7
123.04442	6.3
127.03901	4.7
128.06189	2.0
129.07005	5.7
130.66542	0.7
131.04924	4.5
131.08533	3.6
132.83498	0.6
133.02858	3.6
133.06485	4.2
133.10109	4.0
135.04382	1.4
135.08025	2.1
137.05969	36.9
138.06320	1.0
139.03937	4.2
141.06989	0.8
143.08514	2.4
144.05675	1.6
145.06519	4.3
147.04404	9.8
147.08017	5.3
148.05075	1.1
149.05934	1.9
149.09631	1.0
151.03908	8.0
151.07500	2.3
153.06995	0.7
155.07001	1.7
155.08458	0.6
157.06454	3.2
157.10146	0.9
159.04422	1.7
159.08043	2.6
160.05170	1.6
161.05977	13.9
161.09598	2.9
162.06639	0.8
163.03908	5.2
163.07526	6.7
165.05435	5.0
165.06911	1.3
167.03291	0.7
167.07137	1.0
167.10620	1.0
171.08015	2.6
172.05191	2.8
173.06021	4.1
173.09540	1.0
174.06697	3.5
175.02399	1.1
175.03932	3.0
175.07538	14.2
177.05458	4.1
177.09071	1.3
179.03401	3.1
179.07018	3.5
181.04977	1.9
185.05891	2.3
185.09628	0.8
187.03845	2.1
187.07550	13.4
188.04694	0.8
188.08157	0.8
189.05479	4.1
189.09090	19.5
191.03448	1.1
191.07019	27.9
191.08522	1.6
192.07384	1.1
193.04955	8.8
197.06235	1.2
197.08083	16.2
199.07545	4.9
200.04706	1.2
201.05348	2.3
201.09045	2.5
202.07677	1.2
203.03355	0.8
203.06990	11.3
203.08597	2.7
205.04900	2.7
207.06493	1.2
209.08083	44.7
210.08421	1.2
211.07524	2.0
213.05421	2.2
213.09032	1.3
215.03352	2.5
215.06969	8.5
217.05182	3.7
217.08582	23.5
218.09070	1.1
219.08125	3.9
220.08742	2.3
221.08067	34.4
223.05913	1.5
225.09143	1.0
226.06221	0.8
227.07040	3.6
228.07811	1.6
229.08545	2.6
231.08223	3.7
233.06003	1.4
233.08018	8.0
235.05949	5.0
235.09605	16.7
237.09267	1.0
239.07124	1.4
240.03964	0.7
240.07768	0.8
241.08607	5.2
243.06441	1.8
245.08112	9.5
247.07541	2.2
247.09767	1.3
248.08301	5.0
251.06917	1.0
251.10765	1.8
253.08664	1.4
254.05661	1.9
255.06396	2.0
257.08090	20.2
258.08435	0.8
259.07330	1.2
259.09647	2.4
261.07449	1.6
263.09103	100.0
264.09409	3.0
265.08466	2.2
268.07047	1.0
269.08118	11.6
270.08963	4.2
271.09567	1.9
275.09137	53.6
276.07437	1.4
276.09940	1.1
277.08493	2.0
277.11154	0.9
279.10220	4.2
281.08002	1.2
283.09671	0.8
287.09140	28.2
288.09344	0.9
291.10120	12.5
293.10391	7.6
296.10449	3.4
297.10892	0.7
305.10175	23.6
308.10428	0.7
309.10965	1.6
311.12836	5.9
323.11148	20.1
341.06042	1.0
341.13089	10.2
341.20132	1.3
359.02798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.6
55.01875	1.8
57.03431	1.1
59.05015	0.7
67.05515	1.2
68.92900	0.5
69.03436	1.8
69.07074	2.1
70.17907	2.2
71.05003	1.1
73.02914	1.1
77.03928	0.6
79.05491	0.9
81.03412	1.4
81.07066	1.3
83.04974	0.7
83.08620	0.6
84.04510	3.3
85.02909	1.6
91.05489	1.8
93.07045	1.5
95.04985	1.1
95.08624	1.3
97.02901	6.8
97.06552	0.8
103.05474	60.9
104.05776	0.9
105.07018	2.1
107.04967	2.7
107.08594	1.2
109.10137	0.9
111.08120	0.8
115.03947	0.7
115.05482	1.4
117.06999	1.1
119.04967	1.0
121.06532	1.2
121.10138	1.4
122.03635	2.4
125.02342	1.7
127.03960	0.6
128.06264	0.9
129.06978	1.7
131.04935	93.8
132.05269	2.1
133.02820	1.1
133.04980	0.7
133.06532	1.1
135.08052	1.2
135.11717	0.6
137.05983	29.2
138.05475	2.7
138.06406	0.6
140.07065	1.8
142.32437	0.6
145.06490	1.0
145.10123	0.6
147.04401	2.2
148.05165	0.6
149.05991	1.7
151.03908	0.7
151.07536	1.0
157.06535	1.2
159.04366	1.0
161.04707	0.5
161.05968	3.7
163.07550	100.0
164.08032	3.5
167.07045	2.0
168.06602	4.6
173.06003	2.3
175.07567	1.7
177.05463	1.9
179.07068	2.6
185.06036	1.1
187.03978	0.7
187.07550	2.7
188.26608	0.6
189.06897	0.7
189.09157	1.0
191.07048	4.2
199.07509	1.2
203.08530	1.1
208.02892	0.6
209.08202	0.8
217.08566	3.3
219.08075	0.8
231.08020	1.2
235.07448	0.5
237.09035	0.7
248.08244	0.5
249.09099	1.2
259.07428	0.7
263.07007	1.3
263.10413	0.5
265.08600	0.9
277.08569	0.9
281.11777	1.2
291.10071	3.1
294.08295	0.6
295.09741	1.1
297.11218	0.7
309.11087	1.8
309.42599	0.6
311.12677	0.7
323.12881	3.6
323.46060	0.6
341.13901	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	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91841	1.1
55.05511	10.5
57.03429	1.5
57.07074	3.3
62.06089	100.0
62.83190	1.5
65.03886	1.3
67.05222	1.6
67.05502	15.5
68.83949	1.2
69.07069	12.5
69.65781	3.8
69.66197	6.1
71.04995	1.3
79.05492	9.1
81.07054	18.3
82.07372	2.2
83.04985	2.4
83.08609	5.0
86.62638	1.2
91.05492	4.2
93.07043	8.6
95.04980	1.8
95.08617	12.0
96.08958	1.7
97.06525	2.6
97.10159	3.2
98.42600	1.3
100.42564	1.3
101.85997	1.2
105.07029	6.2
107.08606	8.6
109.10130	10.9
111.04432	1.9
119.08566	6.3
121.10146	6.2
123.11713	3.5
124.11250	3.7
127.25065	1.6
131.08603	1.5
133.10112	4.7
135.11674	5.6
137.05971	2.1
144.20921	1.2
145.10086	2.7
147.11613	1.9
149.13208	1.4
151.07579	1.3
157.10114	2.0
159.11703	3.2
162.97755	1.3
168.13849	1.5
170.11819	1.6
183.11794	1.5
196.13379	11.4
214.14369	16.5
225.12732	1.4
243.21274	1.4
261.22211	2.3
279.23248	3.9
299.20038	6.7
322.23596	2.3
322.27426	43.6
323.25864	5.3
340.22943	4.5
340.28464	48.4
341.20633	3.2
341.28934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76211	9.9
55.11574	8.7
56.96574	13.9
67.05507	13.3
69.07032	10.8
71.60536	12.8
77.58958	10.1
79.05512	11.4
83.04976	9.7
83.08584	11.5
91.05482	17.6
91.50676	11.4
93.07030	22.3
95.04989	11.7
95.08620	19.6
105.07030	37.0
107.08605	12.7
109.10152	21.8
119.08582	34.8
121.10110	17.9
133.10121	33.2
135.11609	11.7
137.06003	11.3
145.10129	24.7
147.11705	14.4
157.10136	13.5
159.11714	13.7
173.13177	11.9
183.11736	14.2
197.13179	10.7
224.65424	11.4
225.12622	12.0
284.17279	28.3
299.20035	100.0
340.22955	35.6
340.28067	14.1
341.21097	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	340.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47915	7.9
55.05502	19.2
57.03429	11.4
57.07074	15.5
67.05508	34.1
68.05829	10.2
69.07051	23.2
70.07382	8.5
71.59528	6.3
71.60024	9.5
79.05476	15.1
81.07053	34.8
82.07369	7.7
83.08613	19.4
84.08928	7.1
91.05446	14.1
93.07019	23.0
94.02214	7.3
95.08585	50.1
97.10199	9.8
105.07016	30.5
107.08574	18.1
109.06460	8.1
109.10149	11.4
117.07030	11.0
119.08572	41.3
121.10134	14.2
131.08627	9.2
133.10098	21.7
135.11661	7.7
143.08513	11.7
145.10104	17.7
155.08450	7.0
157.10159	9.4
157.37727	6.9
159.11725	10.4
161.13216	10.3
163.77733	7.4
183.11530	8.5
189.16483	8.2
197.13179	9.5
299.20047	98.5
339.77747	13.9
340.22690	24.4
340.29199	100.0
340.35541	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	340.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.9
63.43115	4.1
63.80616	4.2
65.63735	4.4
67.05505	10.4
69.07066	6.8
69.60729	15.9
69.61150	17.7
79.05499	12.6
81.07056	19.6
91.05460	14.0
93.07033	17.4
95.08612	38.7
105.07020	31.7
107.08592	19.4
109.10162	12.5
111.04460	12.1
119.08581	54.3
121.10171	9.4
121.34088	4.0
131.08542	15.2
133.10120	28.6
137.06001	4.5
142.07823	5.0
143.08580	9.8
145.10124	20.8
147.11678	26.7
157.10136	12.7
157.24374	4.3
159.11691	11.6
161.13246	7.7
169.10292	5.6
171.11732	9.4
183.11693	6.1
185.13254	7.7
186.12701	5.6
197.13353	8.3
199.11206	9.8
199.14806	5.0
203.18030	17.5
213.12794	10.0
218.28908	3.8
230.12610	4.7
231.13547	4.1
284.16559	5.0
296.97375	4.6
299.20065	100.0
340.22992	23.5
340.28647	4.9
340.35507	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	340.2269
Annotation	Spiradine D
Peak:m/z	Relative Intensity
57.07071	3.3
65.26177	2.9
66.56818	3.6
67.05503	8.7
69.77502	23.8
70.06564	3.0
79.05476	5.1
81.07039	6.1
86.53619	2.8
91.05463	5.9
93.07023	12.8
95.08594	14.2
98.21442	6.6
105.07040	15.8
107.08582	7.4
109.10173	6.2
111.04444	13.5
119.08585	48.5
131.08578	5.9
133.10118	20.2
145.10143	8.7
147.11682	10.1
155.08612	5.5
157.10153	15.3
159.11716	15.9
161.13290	4.0
169.10155	9.2
171.11688	10.4
172.56302	3.1
173.13223	3.6
183.11661	7.5
185.13266	6.1
187.14882	3.9
197.13324	6.0
199.11337	4.8
199.14824	4.3
211.14729	4.0
212.14374	9.1
213.12737	4.4
214.15919	8.7
215.10667	4.1
217.12318	3.4
228.17349	5.1
229.18257	6.8
239.14143	3.6
239.17990	8.3
243.13739	7.5
253.19530	11.3
257.15521	4.5
281.18979	11.6
283.16919	13.8
299.20084	89.6
340.22797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.2
55.39200	2.0
62.54808	2.0
67.05485	8.6
67.60155	2.6
69.07056	5.6
71.60124	3.0
71.60480	2.8
79.05492	4.8
79.80221	1.8
81.07064	9.3
81.48455	1.8
83.04974	2.3
83.08609	1.9
84.95202	1.7
91.05477	10.5
92.86922	2.0
93.07026	8.9
95.04969	1.9
95.08615	14.2
105.07030	19.5
107.08611	10.7
108.48922	2.1
109.10151	5.3
111.04419	11.8
117.07027	7.6
119.08581	49.0
121.10154	5.4
127.84097	1.9
129.06984	3.5
130.07829	2.1
131.08565	7.9
133.10126	21.4
142.07828	2.0
143.08533	6.0
145.10135	12.0
147.11713	8.2
155.08539	5.5
157.10095	16.5
159.11700	12.8
161.13261	7.0
163.07256	2.2
169.10115	7.2
170.10909	2.9
171.11681	9.7
172.12502	2.3
173.13324	5.0
183.11710	8.1
185.13237	4.8
186.73694	2.1
187.14929	2.3
189.16428	3.2
197.13316	10.5
199.11180	2.5
199.14859	6.1
201.16374	3.7
211.14911	4.5
212.14313	5.5
213.12741	2.4
214.15929	8.8
215.10765	3.0
217.12297	2.6
225.12856	1.8
227.16534	3.4
228.17532	2.3
229.12315	4.7
229.18236	5.1
230.19009	2.3
239.14268	4.5
239.18033	6.0
243.13765	2.9
253.19447	6.4
257.15417	3.0
263.17917	2.2
281.18896	10.7
283.16934	10.3
289.01770	2.0
299.20065	100.0
304.71304	2.2
340.22754	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.0
57.07074	8.3
67.05497	17.2
69.07058	8.0
71.08624	9.4
79.05494	14.1
81.07047	26.3
83.08625	5.7
91.05484	19.1
93.07044	13.8
95.08613	25.0
96.25697	5.5
105.07020	25.2
107.08588	6.6
109.10150	9.3
111.04450	19.3
119.08577	65.4
121.10139	12.5
127.24563	5.3
131.08583	10.3
133.10130	24.1
137.06058	10.7
145.10141	13.0
147.11720	8.7
150.04651	5.8
156.09259	6.7
157.10143	23.6
159.11673	21.4
169.10127	6.9
171.11665	9.8
183.11684	13.3
185.13258	7.3
193.04987	12.5
194.05345	5.7
197.13326	6.3
201.16454	6.4
214.15857	12.0
215.10600	7.2
220.54251	6.0
224.65625	7.4
227.16609	7.0
229.18385	9.0
239.17976	10.0
243.13707	5.9
253.19641	7.1
281.18982	9.4
283.16965	11.8
299.20068	96.3
339.77823	28.8
340.22705	100.0
340.28128	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	340.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
54.49434	1.2
55.01873	4.8
55.05512	5.0
57.03432	2.0
65.03932	1.5
67.05492	7.8
67.31218	1.7
69.03429	4.2
69.07071	9.6
70.06599	1.6
71.04988	14.3
71.22128	2.9
73.37955	1.4
77.58292	1.1
78.04707	1.2
79.05492	14.8
81.03434	2.8
81.07067	9.0
82.06568	1.4
83.04985	4.5
83.06094	1.5
83.08631	2.6
84.04515	6.3
85.02905	3.3
85.06535	7.4
86.09708	100.0
87.38744	1.4
91.05476	13.1
93.07040	15.0
95.04966	5.5
95.08601	4.8
97.02894	4.9
97.06544	3.9
99.08098	1.7
100.11277	7.0
101.81889	1.4
102.05562	2.6
102.61389	1.5
103.05470	6.4
105.07037	18.0
107.04942	9.8
107.08594	19.9
109.06528	4.4
109.10140	3.9
111.04465	8.5
111.08057	1.9
115.05445	2.4
117.03419	4.6
117.07045	6.8
118.03716	2.0
119.04928	6.8
119.08574	9.0
120.05331	1.5
121.06499	6.7
121.10133	9.1
123.04435	3.3
123.08117	1.9
127.03916	2.3
128.06247	2.9
128.10767	3.7
129.07031	17.9
130.05019	4.4
130.07790	1.4
131.04900	6.6
131.08577	23.8
132.10204	27.5
133.02888	1.9
133.06485	6.0
133.10130	4.1
135.04439	5.3
135.08057	1.9
135.11690	2.8
137.05984	21.1
137.09625	5.4
141.06990	1.7
144.05666	2.0
145.02806	7.7
145.06483	4.9
145.10135	13.8
146.03165	7.6
147.04443	14.0
147.08121	7.0
147.11700	2.9
148.04720	11.1
149.05992	5.2
149.09622	39.0
151.03923	1.5
151.07489	2.6
151.11197	2.3
153.05482	2.2
154.12245	1.9
155.04915	2.3
155.08536	2.6
156.10304	1.6
156.13821	2.0
159.08090	9.3
159.11697	2.0
161.05959	11.4
161.09619	2.5
163.07516	4.5
163.11179	14.6
165.09145	6.3
165.12709	2.1
167.07040	18.1
167.10684	43.1
173.09644	5.4
175.07529	5.1
177.05484	13.5
178.05827	17.9
178.07791	4.6
182.15375	3.1
187.07542	31.4
189.07034	1.7
189.09065	3.0
191.08804	2.9
191.10667	26.5
201.09282	2.0
202.07780	3.2
203.08603	6.2
205.06544	4.6
206.07289	5.0
206.15367	1.7
207.08058	1.7
208.13312	2.3
209.11731	35.3
210.14868	9.9
217.06599	2.4
217.08534	2.1
218.07298	3.0
219.08040	6.1
220.08722	2.4
221.09660	7.7
223.07556	1.9
227.17567	1.5
231.08022	4.8
234.06773	5.3
235.07533	4.3
236.08350	2.2
237.05219	1.6
237.09068	3.2
238.14410	2.7
245.06126	1.6
247.07549	2.9
248.08337	4.8
249.09071	13.9
250.09987	1.6
251.07042	5.8
252.16054	2.2
253.12631	1.4
256.15298	2.6
258.18594	2.4
259.07602	1.4
261.05597	1.6
263.10635	2.5
264.07700	1.9
265.08585	4.4
266.09335	4.7
276.07727	3.1
276.19611	15.7
276.72690	2.6
277.08618	7.7
279.06454	2.4
279.10138	3.8
281.11694	20.2
281.14502	1.9
291.10165	5.5
293.07965	1.9
294.08835	6.2
294.20636	12.3
295.09778	1.9
300.09885	1.9
304.18909	3.0
307.09546	2.0
308.10129	2.4
309.11246	26.1
310.12018	3.2
311.09216	3.1
312.13104	2.0
313.14200	2.3
322.20126	19.9
323.12982	4.8
325.10590	2.3
326.11630	2.3
340.12991	7.7
340.17413	2.4
340.21100	13.2
340.29395	1.7
341.10229	2.6
341.13837	41.7
341.20407	2.0
353.50763	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
53.20949	1.2
55.01859	4.8
55.05510	36.2
57.03428	2.0
61.02919	2.9
67.05499	6.8
67.21313	1.3
69.03431	12.2
69.07056	5.6
69.35574	12.4
70.06592	1.6
79.05482	5.4
81.03417	3.2
81.07056	13.5
83.04976	3.5
83.08620	31.1
84.04541	1.5
85.02905	17.4
85.06536	1.6
86.09675	1.7
89.06009	2.0
89.31640	1.3
91.05476	5.6
93.07053	4.5
95.04980	2.2
95.08598	4.3
97.02897	7.2
97.06567	1.7
97.10174	70.3
98.09715	1.9
98.10348	1.4
99.04462	1.4
100.11262	3.0
103.05460	8.9
105.06989	1.4
107.08607	12.6
109.02819	2.5
109.06499	2.0
112.09360	1.2
114.09145	2.1
115.03999	1.4
119.04921	3.2
125.09632	98.6
126.09937	1.5
127.03865	3.2
130.06532	30.8
131.04936	14.5
135.04378	2.2
137.06012	10.4
137.13176	1.4
142.08659	1.7
143.10680	100.0
144.11000	1.7
145.02856	2.3
145.04924	1.7
146.03154	2.4
147.04396	2.7
149.05980	1.8
151.07509	2.2
152.05672	4.4
161.06049	2.4
161.11736	22.9
162.06712	1.9
163.03908	3.3
163.07542	16.2
166.05002	4.6
175.07541	1.6
177.05452	4.8
178.05812	4.5
182.15393	2.4
187.07599	2.6
189.09077	2.1
198.99968	1.5
203.08549	2.0
210.14946	2.9
212.05516	4.3
219.08124	1.7
248.08354	1.7
263.10577	1.5
279.09976	1.6
291.10199	1.9
302.20081	1.6
309.11160	2.1
323.05554	1.6
323.09052	1.7
323.12680	2.5
340.12665	2.0
340.19980	2.5
341.10019	2.7
341.13925	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	339.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33551	3.5
55.05509	61.3
55.48776	3.1
57.03421	5.1
57.07074	100.0
62.40976	3.3
67.05508	31.4
69.06725	6.0
69.07067	87.7
69.63673	8.3
69.64083	22.1
71.04974	5.2
71.08630	82.4
74.92707	3.0
77.96141	4.3
79.05492	19.1
80.79166	3.3
81.07057	56.9
83.04938	4.3
83.08615	71.5
83.09103	4.6
85.06566	4.7
85.09715	4.9
85.10183	48.6
86.33800	3.6
93.07057	32.7
94.15192	3.5
95.08603	51.7
97.06520	26.8
97.10173	43.9
99.11717	8.3
100.29807	3.8
107.08578	34.2
109.10146	31.5
111.08099	12.8
111.11703	9.9
115.07581	5.8
115.93658	3.5
121.10170	28.7
123.11686	14.8
125.09610	14.9
125.13202	5.0
135.11691	35.6
137.13275	6.8
139.11151	12.6
143.10626	5.3
149.13303	21.6
149.22169	3.4
153.12700	13.3
157.12216	5.2
163.14822	16.2
167.14294	10.6
171.13701	4.3
177.16405	8.6
181.15918	4.7
185.15363	4.6
191.17932	8.2
195.17430	5.6
205.19511	8.8
209.18985	7.1
223.20531	7.4
223.22536	4.0
237.22055	8.6
247.24275	4.1
251.23717	4.0
265.25266	6.0
303.30402	28.8
321.31500	21.8
339.28680	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2884
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
51.48800	0.3
53.03929	0.9
53.58663	0.4
55.01862	0.6
55.05513	26.9
57.03441	16.2
57.07077	12.3
67.05506	19.5
69.07069	38.0
71.04984	1.4
71.08633	6.5
71.58001	0.9
73.06580	0.4
77.89746	0.4
79.05495	8.0
81.03410	0.5
81.06581	0.8
81.07060	20.9
83.04972	1.5
83.08621	23.5
85.06543	1.1
85.10186	3.2
91.05470	1.0
93.07044	11.5
95.04943	0.5
95.08608	20.8
97.06532	3.7
97.10170	14.2
99.08123	0.7
105.07037	0.7
107.08593	7.6
109.10158	9.7
111.08070	2.4
111.11748	3.6
119.08564	0.8
121.10145	9.2
123.11692	3.1
124.15881	0.4
125.09616	1.3
125.13266	0.8
133.10109	0.5
135.11684	8.9
137.13298	1.2
139.11188	1.0
149.13232	3.1
151.14827	1.2
153.12776	0.7
163.14807	1.6
165.16415	0.7
167.14322	0.5
177.16357	0.9
191.17998	0.6
193.05092	0.5
220.24397	0.4
247.24266	3.0
265.25208	3.3
299.56775	0.4
339.28946	100.0
340.29379	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.7
55.05504	20.6
56.29968	4.4
56.96576	22.7
57.03447	8.3
57.07082	9.3
64.29256	4.4
67.05507	87.9
69.03407	4.8
69.07065	19.8
70.98875	10.8
79.05505	48.1
81.07065	96.8
83.08607	8.3
85.02879	5.4
91.05479	32.9
92.05794	4.3
93.07053	70.0
95.04971	9.4
95.08609	76.9
97.02859	5.8
97.06538	5.1
98.97614	7.3
99.08022	4.1
105.07018	27.8
107.08596	50.2
109.10170	47.7
116.98563	5.8
117.07001	10.2
119.08590	34.0
120.08932	4.5
121.10159	62.6
123.11707	19.8
129.76202	4.6
131.08615	27.0
133.10167	22.9
134.99664	15.1
135.11691	34.7
137.13159	5.3
142.07826	5.4
145.10159	22.8
147.04362	11.4
147.11668	24.5
149.13278	25.2
157.10144	5.8
159.11754	20.8
161.13332	6.3
163.14795	12.6
169.05031	5.6
173.13263	13.4
175.11172	6.7
177.05550	5.7
201.18250	5.5
221.11723	6.7
229.19641	33.1
247.20581	100.0
248.20917	9.1
265.21442	5.9
274.97568	18.2
277.74460	4.6
283.16904	27.1
292.98581	13.8
299.15323	6.6
307.09543	5.4
337.19974	6.0
339.25705	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03937	2.0
55.01866	1.8
55.05514	8.6
57.03418	3.8
57.07064	4.2
59.04989	2.3
67.05505	14.1
69.03426	11.1
69.07072	16.4
71.04991	15.5
79.05494	13.3
81.03407	3.8
81.07062	42.0
83.04987	3.2
83.08609	4.7
85.02891	3.4
85.06514	3.9
87.04485	2.5
89.03917	5.1
91.05483	10.7
93.07050	42.2
95.04962	11.5
95.08615	38.4
97.02902	13.6
97.06519	4.6
99.08114	1.9
103.05448	2.7
105.07038	13.6
107.04943	1.9
107.08603	16.6
109.06522	11.6
109.10161	19.1
111.04404	1.4
111.08118	7.0
111.11696	2.2
113.07296	1.4
117.03397	17.0
117.07011	2.7
119.04919	4.0
119.08580	14.3
121.06499	2.6
121.09328	2.6
121.10151	32.9
123.08057	3.8
123.11717	17.4
125.09604	3.7
127.03951	2.3
127.11156	2.6
129.06938	1.4
131.04939	1.9
131.08568	4.8
133.10106	6.7
135.04424	11.3
135.07956	1.5
135.11690	10.9
137.05954	2.2
137.09601	5.8
137.13266	14.7
139.11186	9.1
141.12694	2.3
143.08575	3.2
145.02846	43.9
145.10115	9.5
146.03183	1.7
147.04413	14.2
147.08041	1.9
147.11664	6.3
148.43698	1.6
149.05965	5.9
149.09576	3.4
149.13249	2.6
151.11240	2.0
153.12749	6.3
155.10635	1.3
157.10162	3.1
159.11678	6.4
161.05965	5.1
163.03886	2.7
163.11215	4.9
163.14790	1.6
165.12743	4.1
167.07123	1.8
167.10683	5.4
167.33675	1.4
173.13269	2.9
175.07475	1.5
175.11137	1.5
175.14819	2.1
177.05476	100.0
178.05797	7.2
181.12204	2.3
186.05476	2.0
187.07616	2.2
187.14847	2.9
189.16362	2.1
191.08571	1.7
199.13210	1.7
199.14828	6.1
205.15805	1.9
209.15451	1.3
210.40193	1.2
213.16397	2.3
215.17813	3.2
217.15898	2.6
219.08041	2.5
236.08363	1.7
247.07509	2.8
249.09122	2.3
261.08905	2.7
267.21005	1.7
275.09021	2.0
275.23511	2.5
277.08563	2.2
279.10226	3.0
285.22144	4.2
291.23062	2.1
303.23224	13.4
307.09665	6.0
309.11118	4.2
321.09988	2.0
321.24191	9.9
339.11902	13.6
339.25333	5.9
340.12848	4.2
340.25754	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03932	3.7
53.53895	1.8
55.05515	12.2
56.84977	1.7
56.96563	1.8
57.03428	5.8
57.07068	3.7
65.03942	3.3
67.05508	78.8
69.07076	13.3
70.50536	4.7
70.83561	1.4
71.05000	2.1
75.04465	2.2
79.05499	35.7
81.07062	80.0
82.07375	1.5
83.04977	1.9
83.08614	7.7
83.51724	1.7
85.06541	4.8
85.41570	1.9
91.05485	21.7
93.06470	3.1
93.07046	51.5
94.07365	2.5
95.04948	5.0
95.08610	89.4
96.08932	2.0
97.06505	4.7
97.10164	3.7
98.21452	2.4
98.97581	2.2
99.08131	3.7
105.07043	21.5
107.04974	1.7
107.08604	41.2
109.06495	3.5
109.09462	3.1
109.10164	46.2
111.08064	3.9
117.06995	8.7
119.04931	2.0
119.08593	20.8
121.10146	39.9
123.08016	2.4
123.11710	17.8
125.09657	1.8
131.08589	16.6
133.10138	15.6
135.11696	31.9
137.09622	3.1
137.13283	4.1
139.11171	2.6
145.10118	20.7
147.04413	11.4
147.11707	14.9
149.13242	17.5
159.11696	19.8
161.13246	7.0
163.11143	2.6
163.14813	7.5
165.12750	2.4
173.13263	11.0
175.14879	2.7
177.05463	2.6
187.13306	1.9
187.14856	6.8
191.14206	1.7
201.16396	2.4
203.18001	2.5
209.15225	2.2
219.21075	5.9
229.19539	32.5
230.19783	2.2
247.20587	100.0
248.21013	3.8
249.21881	1.9
265.21640	5.7
274.97510	4.0
283.16873	5.2
291.65540	1.7
292.98712	3.5
321.24231	18.7
339.11819	1.7
339.15692	3.0
339.19305	3.1
339.25342	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
53.47068	0.4
55.01871	0.7
55.05510	31.3
57.03434	1.0
57.07072	2.6
59.04980	0.5
59.30150	0.4
62.21153	0.4
65.03925	0.4
67.05505	6.0
69.03423	1.8
69.07069	6.6
69.30170	0.3
70.02576	2.0
70.06003	0.3
70.06586	2.0
71.04987	1.6
79.05489	3.7
81.07056	16.5
82.06579	8.4
83.04980	5.3
83.08619	21.6
84.08136	1.3
85.06544	1.6
89.20875	0.4
91.05497	3.4
91.58116	3.1
93.07040	9.2
94.06539	0.4
95.04958	2.1
95.08602	9.5
96.08108	0.5
97.06535	1.7
97.10179	1.1
98.09686	3.2
98.21407	0.5
98.74077	0.4
99.95157	0.4
100.07625	6.8
100.09476	3.8
100.11254	100.0
101.06049	0.4
105.07027	3.7
107.08590	5.0
109.06530	2.4
109.10154	5.7
110.06055	6.7
111.04439	10.3
111.08076	1.7
111.11740	0.4
112.07607	2.8
114.09147	1.1
115.05445	0.4
117.13885	4.9
119.04942	1.4
119.08565	3.6
121.06542	0.6
121.10143	8.3
122.10459	0.4
123.08071	1.1
123.11704	6.5
125.09613	1.2
126.09122	3.2
127.07693	0.5
127.08667	1.6
127.11233	0.8
128.07074	7.5
128.07947	0.6
129.05484	0.8
129.06993	0.4
131.08559	1.7
133.06447	0.6
133.10130	2.0
134.10651	0.5
135.04422	1.7
135.08060	0.8
135.11697	2.6
137.09618	1.8
137.13232	1.4
139.08664	2.7
139.11189	2.1
140.07072	2.9
140.10670	0.6
141.11481	9.3
145.02882	0.6
145.10123	1.8
147.04404	6.7
147.08031	0.6
147.11714	2.2
149.09622	0.8
149.13245	0.9
151.11197	0.7
153.12712	1.0
154.12268	1.7
155.11176	1.2
157.10181	0.8
159.11700	1.2
161.06009	0.6
161.09663	0.7
161.13217	0.5
163.11256	0.7
163.14767	0.6
163.64342	3.5
164.14429	0.8
165.12750	0.8
166.15866	1.0
167.10663	0.9
168.13785	0.5
169.12187	0.5
171.11664	0.5
172.15710	1.6
173.13231	1.1
175.07527	0.7
177.05463	1.3
181.12285	0.8
182.15404	33.5
185.13271	0.5
187.13309	0.7
191.14035	0.5
192.00674	0.4
192.13835	1.5
199.14923	0.8
199.18086	6.2
204.66521	1.1
209.16493	16.2
210.14888	37.0
213.17805	10.9
217.16064	0.5
218.17055	0.6
219.08073	0.5
225.16006	1.5
226.19165	3.8
226.68378	0.9
227.17543	33.1
228.16003	2.7
235.16815	0.5
244.20186	1.1
247.07524	0.6
267.72244	2.3
273.22211	0.6
276.72778	60.0
277.21518	0.5
281.70264	1.4
285.22055	1.0
303.23172	2.7
307.09741	0.5
308.23322	1.2
309.11218	0.9
309.21606	1.1
321.24121	3.4
322.24899	1.1
325.29742	0.7
326.28186	6.0
331.25415	11.4
336.22778	1.5
337.21185	1.6
339.12051	0.9
339.25195	0.9
340.21759	0.7
340.25949	16.2
343.30670	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
58.06593	0.7
60.08165	79.6
61.02934	1.5
61.08498	0.5
69.03423	3.0
73.02914	0.6
74.09738	0.8
81.03416	1.0
81.04329	0.4
85.02908	10.3
87.04465	1.1
91.03954	1.4
93.53973	0.4
97.02888	3.1
98.20720	0.9
99.04462	0.6
109.02875	1.3
113.46400	0.4
114.89349	0.4
118.08658	24.5
127.03898	2.4
130.06236	0.4
145.04985	2.9
156.04222	23.2
204.09665	0.4
222.01895	3.1
222.13364	100.0
223.13705	1.8
227.45782	0.4
280.13901	0.5
339.08881	0.7
339.21323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98530	0.8
55.05508	5.5
56.96570	1.9
57.03443	1.7
59.89860	0.9
60.04517	0.9
61.02910	1.1
65.03950	1.1
67.05167	1.6
67.05507	20.2
69.03429	3.4
69.07082	1.7
70.06596	5.0
70.18996	3.2
71.04993	100.0
72.08155	3.4
79.05491	2.2
81.07057	43.5
83.04982	1.5
83.06120	1.4
83.08617	0.9
84.04485	1.3
84.08156	1.8
85.02905	6.9
85.06557	6.3
86.09707	2.1
89.07159	1.7
89.10795	1.6
91.05481	6.7
93.07059	3.2
95.08596	4.1
97.02903	3.4
97.06505	1.0
97.10168	1.1
99.08096	1.9
103.05457	1.0
105.07033	1.9
107.08566	1.6
110.07162	1.9
112.07623	1.1
116.07107	1.3
116.98605	1.1
117.03391	2.9
119.04951	14.3
120.08089	0.9
121.06466	0.9
122.06039	3.9
123.11720	14.2
127.03925	1.4
129.10222	1.2
131.04974	1.1
131.10658	2.3
133.06480	1.6
135.04388	1.0
135.11711	2.9
136.06180	18.1
137.05986	1.6
141.12746	70.0
142.13081	1.4
145.02834	5.0
145.06500	1.3
147.04413	77.3
148.04784	3.2
150.05544	2.0
152.07053	1.2
159.13808	33.2
161.05977	1.7
163.03905	6.2
163.07777	0.8
164.07103	1.2
167.06927	1.0
173.09702	0.9
177.05460	10.0
177.14864	42.7
181.04915	1.1
193.08589	1.4
203.03438	2.5
205.05095	0.8
210.09186	0.9
221.08142	1.2
233.08035	1.2
234.90216	0.9
236.06230	1.4
303.13571	1.4
321.09698	0.9
339.04626	2.1
339.10950	3.5
339.15176	1.3
339.19522	1.5
340.10681	1.2
342.54773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.7
56.96564	1.1
57.07073	1.4
57.46876	0.8
61.02923	1.4
65.03915	1.3
65.48939	0.7
65.99326	0.7
67.05500	24.6
67.79433	0.7
69.03441	3.6
69.07056	1.2
70.06576	1.5
71.04991	100.0
71.08624	1.4
71.11031	1.7
72.08147	5.3
73.02910	0.7
79.05484	1.9
81.07054	51.9
82.07367	1.4
83.06117	0.8
83.08615	1.7
85.02898	5.8
85.06551	7.2
86.09702	1.2
87.04473	1.0
89.07157	1.5
89.10793	3.7
89.89808	0.8
91.05463	5.8
93.07034	3.3
95.08602	3.0
96.11438	0.9
97.02882	2.7
97.10175	1.5
98.69144	0.7
99.08125	1.4
107.08586	2.6
110.07143	0.9
111.04466	0.7
119.04938	11.4
120.08112	1.4
122.06020	2.0
123.11704	13.1
127.03929	1.0
135.11670	2.3
136.06197	12.4
136.07266	1.2
136.07626	0.9
141.12737	80.7
142.13051	1.7
143.34734	0.8
145.05016	0.9
147.04404	59.7
148.04730	3.2
150.05560	1.1
152.03177	0.7
159.13797	39.9
161.36038	0.8
163.03920	2.0
177.00475	0.8
177.05479	2.3
177.14861	37.6
178.15114	0.9
189.21107	0.7
196.09802	1.1
231.89841	0.9
233.09355	0.9
238.05342	1.3
339.05215	1.0
339.10336	1.4
340.10342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.193
Annotation	1-dodecylglycerone 3-phosphate
Peak:m/z	Relative Intensity
55.05506	0.5
57.07066	0.5
63.03783	0.3
63.76762	0.3
67.05491	0.8
69.03433	0.6
69.07053	0.7
71.04992	0.3
71.57384	0.5
72.43033	0.3
79.05495	0.6
80.29180	0.3
81.03403	0.8
81.07048	1.8
83.04976	0.4
83.08596	0.6
91.05471	0.5
93.07018	0.8
93.40768	0.3
95.04971	0.3
95.08603	1.6
97.10127	0.3
105.07018	1.0
107.08614	1.0
109.06509	0.3
109.10153	0.7
116.98619	0.5
119.08589	0.7
121.10126	0.7
123.08055	0.3
131.08528	0.4
133.10156	0.6
134.99634	0.6
135.11656	0.4
137.05991	0.3
139.69962	0.3
145.02820	1.2
145.10095	0.4
147.04420	1.2
147.11699	0.8
161.13220	0.5
163.03943	0.4
177.05495	2.0
193.05112	0.4
219.08044	0.3
255.13812	0.4
283.16956	0.8
292.98584	0.4
304.27219	0.3
321.09525	0.3
322.09671	0.3
339.19308	100.0
340.19629	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01865	3.5
55.05515	7.3
56.96563	1.5
57.03438	2.2
57.07072	1.3
58.27171	1.1
60.25385	1.1
65.03928	2.9
67.05504	15.3
69.03432	11.1
69.07077	11.4
71.04983	5.3
71.60390	1.6
72.47060	1.3
73.02896	1.2
73.06559	1.1
77.03922	1.2
79.05494	12.9
81.03406	4.8
81.07059	22.8
83.04961	6.6
83.08598	3.2
85.02889	4.4
85.06531	3.1
91.05486	23.4
93.03403	1.8
93.07041	17.7
95.04974	7.9
95.08609	12.9
97.02888	9.2
97.06538	8.7
97.10136	1.2
98.97570	2.6
99.04465	1.1
99.08114	1.2
103.05450	3.4
105.07034	30.1
107.04928	4.8
107.08592	17.1
109.06559	5.8
109.10170	12.0
109.78360	1.0
111.04446	12.4
111.08094	6.5
113.06036	1.3
115.05475	2.8
116.98644	2.1
117.03366	1.8
117.07023	6.9
118.04198	1.0
119.04951	24.6
119.08587	30.7
121.06500	6.2
121.10137	9.1
123.04415	3.9
123.08064	6.8
123.11697	4.2
125.09683	1.3
127.03912	2.7
127.07571	1.7
129.06982	4.3
130.04172	2.0
131.04915	3.8
131.08571	12.0
133.01233	1.2
133.06522	7.8
133.10121	18.7
135.04424	1.6
135.08070	4.4
135.11696	4.6
137.05988	4.3
137.09590	5.3
137.13251	1.6
139.07614	1.6
139.11191	2.8
141.06993	4.1
142.07751	4.0
143.08566	11.1
144.09351	1.9
145.02844	4.2
145.06485	2.7
145.10139	14.1
146.03572	1.6
147.04414	100.0
147.08032	9.6
147.11670	10.1
148.04721	5.6
149.05986	11.2
149.09615	2.3
149.13319	1.6
151.03958	1.1
151.07535	2.3
151.11205	2.9
153.06927	1.5
154.08725	1.5
155.08568	8.7
156.09241	1.3
157.06537	2.2
157.10129	13.0
159.08051	4.3
159.11684	21.5
160.12444	2.3
161.06003	16.0
161.09636	12.0
161.13272	5.9
162.06676	3.1
163.07539	3.3
163.11174	3.0
165.05511	2.3
165.09111	11.0
165.12682	1.7
167.07066	2.5
169.10132	9.1
171.08061	1.5
171.11679	8.2
172.09705	1.3
173.05959	1.3
173.09610	3.9
173.13313	1.9
175.07582	2.3
175.11140	1.5
177.05458	16.2
177.09123	3.1
177.12698	2.5
179.10645	6.0
181.10190	3.1
183.08035	2.5
183.11705	3.7
185.09561	2.1
185.13271	2.5
187.07542	3.0
187.11203	2.0
187.14787	1.9
189.09134	7.0
189.10562	1.1
191.06967	1.6
191.08563	1.5
191.10625	2.0
193.08551	5.4
193.12260	3.3
195.11703	3.2
196.12305	2.4
197.09590	3.5
197.11626	2.0
197.13281	14.5
199.11121	2.7
199.14795	3.1
201.09103	3.9
201.16444	1.5
203.10693	3.2
205.12230	3.3
206.10727	1.2
207.08194	1.6
207.10109	10.7
207.13867	1.4
209.08102	1.9
210.30281	1.2
211.14792	14.3
213.16383	4.3
215.07019	4.0
215.10719	3.9
215.14378	2.3
215.18105	1.2
217.12187	1.4
218.07314	1.3
219.08134	1.8
219.67551	1.5
221.13216	1.8
224.11821	1.5
225.11049	5.5
225.13074	1.5
229.12291	1.4
229.15883	4.2
236.08218	1.4
239.14311	16.9
241.15926	5.1
243.13898	2.7
247.07632	1.7
251.10442	1.5
252.02896	1.5
257.15366	48.5
258.15735	3.0
259.16898	2.2
261.09271	1.9
263.07202	2.7
267.13834	3.9
275.16367	7.0
279.10181	2.0
285.14850	11.4
293.17627	3.1
303.15955	16.2
303.23132	2.0
304.16382	1.3
307.09555	10.2
309.06467	1.6
321.17007	14.5
321.24222	3.3
322.12659	1.4
327.07657	2.1
339.12228	11.6
339.18134	4.7
339.25275	3.5
340.12509	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
53.03931	1.7
55.01865	4.0
56.47112	0.6
56.96553	0.9
65.03950	1.0
67.05497	1.5
69.03424	3.1
69.07076	0.7
69.68777	2.0
69.69199	2.6
70.06588	1.5
70.94347	0.6
72.08140	0.8
78.04679	0.8
79.05492	2.5
81.03413	2.4
81.07051	2.3
83.04988	1.3
83.23018	0.6
85.02912	1.9
86.09692	1.0
89.03914	2.6
91.05482	16.6
93.07029	4.1
94.04209	0.7
95.04986	3.4
97.02879	2.2
97.06505	1.6
99.04438	1.0
102.04690	11.0
103.04871	1.2
103.05477	10.9
105.04522	0.6
105.07015	6.6
107.04910	1.6
107.08617	0.8
109.02890	1.0
109.06516	1.5
109.10171	1.0
111.05563	4.2
115.05465	2.2
116.07104	0.8
116.84134	0.7
117.03380	3.5
117.06998	1.5
118.04176	3.3
119.04943	21.5
119.08591	1.4
120.05229	0.8
121.06526	5.6
121.10149	1.4
122.03646	2.9
127.03922	1.2
128.06229	0.7
130.04146	12.0
131.04942	10.8
133.06483	3.8
133.10141	1.4
134.03651	1.6
134.07260	1.4
135.04341	1.1
136.06187	1.9
137.05975	24.1
144.05707	2.2
145.02870	7.0
145.06474	1.9
146.03632	5.6
147.04410	100.0
148.04808	2.9
149.05984	17.2
149.07104	1.3
149.09579	0.6
151.03900	1.3
155.04924	1.7
156.01305	0.7
159.08054	1.3
161.04623	0.9
161.05977	20.9
162.06761	36.7
163.03899	1.6
163.07484	1.9
165.05481	3.3
165.06895	1.4
167.07115	1.0
172.05226	1.0
175.07507	4.1
175.11182	0.8
177.00833	0.7
177.05473	36.3
178.05847	1.1
181.06500	0.9
183.04428	1.8
184.05325	0.9
185.05983	4.0
187.07555	4.0
189.07016	1.7
190.07788	3.8
191.07062	1.1
191.08565	6.6
192.08945	0.7
200.04662	1.1
203.08688	1.2
205.06612	1.0
207.08197	1.8
208.08775	1.4
211.07581	0.9
215.07004	14.0
216.07513	0.9
217.06566	1.3
218.07269	5.6
219.08064	10.7
220.08809	1.3
221.05992	1.5
222.06856	0.7
224.08188	0.8
229.06546	2.5
233.09668	1.7
234.06763	2.0
235.07507	4.3
236.08336	2.9
237.08908	1.2
246.06735	4.3
247.07547	8.0
248.08328	1.3
249.05479	1.2
249.09088	3.3
251.10629	3.5
253.08626	0.9
257.06058	2.0
258.06644	1.4
261.09198	5.0
262.06244	1.1
263.07028	3.7
264.07870	3.3
265.08618	3.3
274.06271	1.9
275.06891	3.2
276.07828	0.8
277.08588	5.6
278.09311	3.5
279.06882	1.4
279.10147	9.4
280.10809	0.9
280.71674	0.7
281.08130	1.5
289.08646	5.8
290.09344	1.4
291.06729	1.0
291.10034	1.1
292.07388	1.1
293.11713	0.9
294.08981	2.9
295.09622	3.4
306.09061	1.5
307.09644	65.4
308.10165	4.4
309.07959	1.0
309.11243	5.0
311.09357	1.1
311.12665	6.0
321.11215	11.2
324.09778	1.4
339.12280	47.2
339.19083	4.6
340.12625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1229
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
53.03941	1.2
55.01875	2.0
56.96561	2.3
67.05502	2.9
69.03416	2.2
69.07069	1.7
71.60410	2.5
72.26392	1.1
77.03904	1.2
79.05499	7.9
81.03435	1.2
81.07034	2.1
85.02869	2.0
85.96792	1.0
89.03902	1.9
91.05488	11.8
91.06026	1.7
93.07056	2.2
95.04970	3.0
97.02892	2.7
98.97559	1.6
103.05476	5.2
105.03423	3.1
105.07030	25.1
107.04933	1.5
109.02914	1.3
109.06487	1.9
115.05475	9.0
116.98630	1.4
117.03421	1.6
117.07022	2.7
118.04144	1.7
119.04941	14.6
119.08602	4.5
121.06487	3.1
123.36621	1.3
128.06200	1.2
129.07011	4.7
130.04153	3.7
131.04910	4.4
131.08527	1.2
132.05682	3.2
133.06502	14.3
133.10085	1.3
134.99620	1.4
135.04417	100.0
136.04742	1.9
137.06003	4.5
143.06042	1.7
145.02864	7.2
145.06468	2.4
145.10165	1.2
147.04408	13.5
147.08069	4.3
149.06044	5.9
151.07541	3.8
155.04895	1.6
157.06435	1.7
159.04449	8.9
159.08046	5.8
160.05223	13.0
161.05989	32.7
161.09586	1.8
165.06917	1.7
172.05202	4.8
175.07561	36.8
175.09027	2.3
176.07962	2.0
177.05469	21.1
179.07069	2.7
185.06006	2.0
187.07538	26.8
189.07010	2.8
189.09099	1.3
190.07806	3.1
191.08562	14.7
199.07582	2.6
202.07736	3.2
203.08568	8.3
205.06541	2.4
217.08603	3.5
218.07228	2.4
219.08070	21.3
220.08511	2.4
221.09570	1.3
223.07550	1.3
231.08049	8.1
235.07513	1.8
236.08058	1.6
237.09239	1.5
247.07581	9.5
248.08223	3.0
249.09076	14.9
251.07086	1.7
251.10843	3.9
259.07568	4.8
260.08362	1.9
261.09152	3.3
262.57199	1.1
263.07123	2.0
263.10718	3.5
264.07794	3.3
265.08630	3.8
274.97604	2.5
275.07227	1.6
276.07819	1.5
277.08661	12.8
278.09311	2.7
279.07315	1.1
279.10043	6.4
289.08691	7.4
291.10114	5.3
292.98532	2.7
293.07751	1.2
294.08737	1.5
295.09689	4.1
306.08978	1.6
307.09485	3.8
309.11230	40.6
309.14731	2.7
321.11374	9.9
339.12271	35.3
339.16187	1.8
339.19025	1.9
339.26846	1.6
340.12750	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.03926	1.3
54.88186	0.9
55.01871	13.3
55.05500	1.6
56.96562	1.3
63.02385	0.8
65.03924	1.0
66.04713	1.0
67.05472	1.5
69.03418	1.7
69.07049	1.7
71.10822	0.8
71.59598	1.4
79.05488	5.6
81.03392	2.3
81.07053	5.7
83.04958	1.1
83.08620	0.9
85.02879	1.5
89.03909	2.2
91.05466	7.6
93.07018	3.1
94.04179	4.3
95.04944	2.6
95.08598	1.5
97.02879	2.8
98.97573	2.5
103.05478	5.6
105.07043	5.9
107.04936	1.9
107.08573	2.3
109.06503	5.0
111.04411	1.7
114.55621	0.9
115.05419	2.5
116.96912	0.9
117.03381	4.8
118.04150	1.4
119.04958	1.4
119.08576	1.2
119.61085	0.9
119.91383	0.8
121.02860	0.9
121.06501	2.9
121.10123	1.7
122.03637	10.4
125.05959	2.4
128.06174	1.0
130.04137	2.0
131.04941	5.3
131.08530	1.2
133.06477	3.8
134.03603	1.0
135.04379	2.1
135.08105	1.0
135.11670	1.2
137.05969	50.4
138.06320	1.3
144.05693	2.1
145.02815	7.8
145.06494	1.9
146.03641	6.4
147.04404	6.7
149.05969	3.9
151.03912	2.3
151.07512	1.3
152.06184	0.9
153.05457	1.4
155.04880	5.0
159.04419	1.1
159.08109	2.2
159.11690	1.2
161.05968	29.4
162.06775	5.5
163.03903	3.3
163.07495	3.5
165.05496	35.4
165.06938	4.9
166.05823	1.3
167.08473	0.9
171.04462	0.9
172.05231	3.0
175.07536	1.0
177.05464	27.0
177.06946	1.3
178.05966	1.2
178.07738	2.5
179.08528	3.7
180.09183	1.7
181.06346	2.0
183.04385	4.0
185.05928	1.7
187.07532	7.4
189.05432	2.0
189.06949	12.7
190.07776	15.7
191.08560	14.7
192.09036	1.5
193.06502	2.0
194.07182	2.5
195.08014	1.7
197.05943	1.1
200.04587	1.0
200.06238	1.5
201.05267	1.2
201.07024	3.9
202.07697	5.8
203.06860	1.0
203.08543	3.6
205.06461	6.6
206.07269	3.7
207.08078	10.8
208.08760	6.0
215.06926	12.2
215.08549	1.8
217.06465	4.3
218.07256	30.4
219.08032	34.0
220.05244	2.2
220.08690	5.8
221.05980	6.5
221.09550	1.7
222.06754	2.9
225.09102	2.1
228.05728	1.0
229.06424	16.3
230.07104	4.8
231.08046	6.2
232.08801	2.1
233.05931	2.8
233.09576	7.0
234.06741	8.4
234.10097	0.9
235.07521	25.2
236.08282	11.6
237.05464	2.2
237.09032	3.5
238.06108	1.3
241.08446	1.1
243.07921	2.0
245.05952	6.6
246.06744	37.2
247.07523	37.0
248.08209	9.3
249.05402	3.0
249.09102	8.5
250.06261	2.1
250.09784	4.7
251.07016	3.7
251.10669	8.6
252.07787	1.9
253.08676	2.4
257.05939	11.6
258.06668	5.1
259.07440	6.1
260.08203	1.9
261.09082	54.8
262.06265	4.6
262.09137	5.2
263.07043	18.6
263.10016	1.4
264.07773	17.5
265.08554	6.8
267.06619	1.1
267.10065	1.1
269.07993	2.3
271.07858	1.2
273.05457	3.0
273.08994	1.3
274.06223	25.8
275.06976	20.2
276.07700	4.0
277.08588	15.3
278.06061	1.0
278.09344	14.4
279.10114	22.7
280.07312	1.7
280.10797	2.5
281.07965	3.2
282.08731	0.9
284.10208	1.4
288.07715	1.3
289.08560	68.6
290.09222	16.2
291.06567	10.5
291.09683	1.8
292.07248	7.8
293.08002	3.2
293.11664	4.2
294.08945	4.0
294.11768	1.0
295.09616	6.4
296.10333	2.3
297.11264	1.7
303.10056	1.1
305.07980	1.8
306.08841	21.3
307.09610	71.2
308.10187	8.1
309.07590	2.7
309.11148	6.7
311.12787	7.5
321.11197	79.2
322.11658	5.3
324.09869	3.5
339.12250	100.0
340.12613	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.43980	0.4
53.03944	0.8
53.83286	0.3
55.01860	0.5
56.96558	0.4
57.03438	1.3
59.17176	0.4
67.05501	1.3
69.03438	6.2
69.07063	0.7
70.06581	0.6
71.01332	0.6
71.04980	0.8
71.59125	0.3
72.08161	1.1
72.25741	0.3
73.71725	0.3
76.94589	0.3
78.04715	0.3
79.05502	1.2
79.85761	0.3
81.03411	2.0
81.07065	1.0
83.04957	0.6
84.08126	0.5
85.02907	3.8
89.03928	4.3
91.05475	1.8
93.07051	1.2
95.04989	0.6
95.08597	0.9
97.02898	9.3
97.06532	0.4
99.04458	0.7
101.02358	0.7
103.05508	1.3
105.07039	1.1
107.04954	0.7
107.08609	1.0
109.02903	0.8
109.10159	0.5
111.04454	0.4
117.03383	18.9
117.06976	0.4
118.03717	0.6
119.04953	1.4
119.08601	0.9
120.08105	6.4
121.06507	0.6
121.10168	0.9
123.11750	0.6
127.03931	1.4
131.04932	0.6
133.10115	0.4
134.03624	1.4
135.04437	2.0
137.06020	1.5
145.02852	51.5
146.03233	1.3
147.03343	0.6
147.04416	4.7
149.05986	8.0
149.07112	0.7
151.03960	0.7
159.08069	0.4
161.05940	1.1
162.06819	0.3
163.03935	4.0
164.04236	0.7
166.08636	2.0
177.05476	100.0
178.05836	4.5
186.05513	1.4
195.06546	2.6
198.06436	0.3
215.07045	0.5
219.08133	0.7
222.43594	0.3
228.13765	0.4
235.07413	0.4
247.07648	0.6
257.08643	0.4
263.07214	0.4
264.07770	0.4
279.09363	0.5
303.23526	0.4
307.09631	1.6
321.09616	1.7
339.04907	0.7
339.10873	7.7
339.17645	1.9
362.47775	0.4
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	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
60.07330	0.2
60.80368	0.2
65.03934	0.7
67.05459	0.2
69.88474	1.4
83.04958	0.6
91.04604	0.2
91.05479	6.1
111.04433	0.3
119.04939	16.5
135.19547	0.2
147.04407	100.0
148.04764	1.9
165.05534	0.3
359.12421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
52.21304	0.4
64.26060	0.4
65.03941	1.1
71.24635	0.4
71.29285	1.0
72.23675	0.4
73.18565	0.4
82.49901	0.4
91.05486	9.2
119.04950	24.2
136.07553	0.6
145.02818	1.0
147.04417	100.0
148.04750	2.8
151.45404	0.4
152.07031	0.7
164.07033	0.6
177.05426	2.0
237.22256	0.5
243.28389	0.4
304.58105	0.4
332.54208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03946	0.5
57.03432	1.4
67.05518	0.4
68.17974	0.2
69.03072	0.4
69.03432	5.4
69.53415	1.3
69.53855	1.2
71.01350	0.7
71.04992	0.4
73.02939	0.2
78.04683	0.4
81.03432	1.6
81.07046	0.7
83.04977	0.4
85.02912	2.9
89.03922	5.6
91.05483	1.0
93.07039	0.6
95.04964	0.6
95.08617	0.6
97.02898	9.7
99.04448	0.8
101.02347	0.3
106.04155	0.5
109.02892	0.7
109.06575	0.3
109.10201	0.4
117.03384	18.4
118.03716	0.4
119.04964	0.5
127.03923	1.0
131.08589	0.3
133.10161	0.6
134.03645	1.0
135.04422	1.6
135.11716	0.4
145.02849	47.3
146.03152	1.5
147.04434	1.2
149.05981	7.4
162.03111	0.6
163.03864	0.8
170.60712	0.3
177.05473	100.0
178.05803	3.3
186.05429	1.6
195.06551	2.7
251.81526	0.3
307.09726	0.3
321.09668	2.5
339.10751	9.4
339.25531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
65.03932	0.6
67.05494	0.4
70.74475	0.7
70.74867	0.6
83.04991	0.6
91.05479	5.9
92.63599	0.3
95.54376	0.3
97.62246	0.3
119.04945	19.4
120.05274	0.5
122.53001	0.3
132.03319	0.3
147.04410	100.0
148.04741	4.1
165.05544	0.4
165.92644	0.4
339.37119	0.3
353.59973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01878	0.4
55.05515	0.3
57.03442	1.8
63.02394	0.4
67.05498	0.2
69.03432	9.7
69.07066	0.4
70.20457	1.1
71.01359	1.0
71.04999	1.0
71.05359	0.2
73.02914	0.2
79.05499	0.6
81.03417	3.6
81.07059	0.8
83.04977	0.3
85.02910	5.5
89.03918	6.0
91.05488	1.0
93.07046	1.0
95.04977	0.5
95.08613	0.9
97.02894	20.4
98.03260	0.3
98.09734	0.3
98.97614	0.3
99.04459	1.4
101.02380	1.2
103.05458	0.7
105.07051	0.6
106.04140	0.2
107.04929	0.3
107.08611	0.5
109.02892	1.1
109.06499	0.3
109.10133	0.5
115.03927	0.2
117.03383	18.5
119.04921	0.6
119.08542	0.3
121.06515	0.3
121.10144	0.9
124.05222	0.3
127.03923	1.8
133.06546	0.2
133.10130	0.3
134.03641	1.6
135.04420	3.1
135.11668	0.3
137.06055	0.3
145.02847	50.8
146.03177	1.8
147.04405	1.9
147.08087	0.2
148.04796	0.2
149.04788	0.4
149.05983	7.2
149.09624	0.4
150.06323	0.3
151.03880	0.2
156.97432	0.4
158.06039	0.3
161.05933	0.5
162.03085	0.3
163.03923	1.6
174.98564	0.3
175.07567	0.4
177.05472	100.0
178.05812	4.1
186.05478	1.6
187.07533	0.3
191.08537	0.3
195.06525	4.4
195.08241	0.4
212.68071	0.2
218.07164	0.3
219.08018	0.5
221.05939	0.3
236.08279	0.2
246.06731	0.2
247.07513	0.6
249.09259	0.2
257.08014	0.2
264.07642	0.3
275.08899	0.4
277.08566	0.3
279.08771	0.8
307.09579	0.9
309.11279	0.2
311.05466	0.4
321.09644	4.1
322.09583	0.2
339.04819	0.5
339.10727	17.3
340.11023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.01867	2.2
65.03926	1.3
67.05497	1.2
67.38885	0.8
69.03428	3.5
70.06596	1.0
70.99047	1.4
70.99392	1.7
71.05002	1.3
73.02907	0.7
75.57256	0.7
77.03911	0.8
79.05478	2.4
81.03404	3.3
81.07047	2.5
83.04980	1.0
85.02920	1.5
86.09707	3.2
87.10051	1.4
89.03941	1.4
91.05479	22.6
93.07021	2.7
95.04964	1.5
95.08617	1.2
97.02874	1.0
102.04691	4.0
103.05441	5.6
105.07033	3.7
107.08598	1.2
109.06540	1.5
109.10156	0.9
111.04441	0.7
111.05564	2.6
115.05470	0.9
117.01481	0.7
117.03380	1.8
118.04149	1.1
119.04944	26.0
119.08586	1.2
121.06505	2.1
122.03673	1.7
125.00002	2.0
127.03938	1.1
127.07561	1.2
128.91512	0.7
130.04143	4.1
131.04910	5.7
133.06470	2.0
135.08041	0.8
135.11710	0.9
137.05984	11.8
145.02893	1.5
145.06448	0.9
146.03636	3.6
147.04408	100.0
148.04762	0.9
149.05988	8.1
151.03993	0.9
155.04990	1.4
159.08064	0.9
161.05981	7.3
162.06752	13.2
163.03947	1.0
165.05527	0.9
165.12669	1.0
169.06573	0.8
175.07549	2.1
176.37126	0.7
177.05473	13.8
177.06908	1.3
184.07365	2.6
185.07777	0.9
187.06032	0.8
187.07593	2.0
189.07043	1.1
190.07870	0.9
191.08568	2.8
215.06992	4.7
218.07263	1.7
219.08113	3.5
220.08905	0.7
228.01897	0.7
234.06824	1.2
235.07619	1.7
236.08446	1.3
236.24385	0.7
242.17714	0.8
246.06738	1.0
247.07570	4.1
250.10059	0.7
251.10590	1.6
257.06134	0.9
261.09177	2.9
263.06976	1.7
264.07922	1.3
274.06262	1.2
275.03308	0.8
275.06927	1.3
276.07547	0.8
277.08627	2.1
279.07028	0.9
279.10168	4.3
289.08588	3.1
294.08820	0.9
295.09821	1.0
306.09045	0.9
307.09616	24.3
309.11282	2.4
311.12839	2.4
321.11365	4.0
321.20447	4.5
339.05475	1.3
339.08325	1.1
339.12265	19.3
339.18381	3.9
358.94791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
65.03934	0.8
67.05486	0.2
70.73151	0.5
73.88901	0.2
83.04981	0.4
84.66483	0.2
91.05485	6.8
111.04449	0.3
119.04949	18.9
120.05265	0.4
147.04414	100.0
148.04689	1.3
165.05470	0.4
173.57970	0.2
177.05460	0.3
181.50278	0.2
259.42944	0.2
310.42545	0.2
313.04797	0.2
321.09436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01866	1.2
55.05503	1.0
56.96544	1.3
57.03429	1.2
57.07069	0.6
59.04989	0.6
61.02926	0.8
65.03930	1.8
67.05499	2.7
69.03429	4.6
69.07063	1.4
70.06606	0.5
71.04973	1.1
71.60213	0.8
73.02924	0.6
79.05490	1.5
81.03000	0.6
81.03416	3.6
81.07058	4.0
83.04973	2.0
83.08611	0.5
85.02908	5.2
85.06509	0.5
86.09714	0.6
87.00809	0.7
87.04469	0.7
91.05479	37.6
92.05811	1.0
93.07047	3.3
95.04952	1.6
95.08598	2.1
97.02892	5.4
97.10150	0.5
98.97596	0.5
99.04446	1.0
99.08076	0.6
105.07001	2.7
107.04974	0.6
107.08583	2.0
109.02877	2.0
109.06518	0.9
109.10169	1.7
111.04410	0.9
111.08106	3.4
116.98612	1.3
117.03365	1.0
117.07024	0.6
119.04942	23.8
119.08580	1.2
120.05271	0.6
121.02866	1.7
121.06488	0.7
121.10146	1.6
122.06055	0.8
123.08096	0.6
123.11700	1.1
127.03923	3.7
127.11193	0.6
129.07088	0.4
131.08577	0.5
133.06447	0.5
133.10143	1.1
135.04453	0.6
135.08055	0.6
135.11667	0.5
137.05956	1.7
138.05452	0.7
138.13512	0.5
139.11195	0.8
145.02841	2.7
145.04938	0.7
145.10110	0.8
147.04408	100.0
147.11682	1.1
148.04706	3.3
149.05965	1.0
151.03859	1.1
151.11176	0.5
153.07094	0.5
158.97435	1.1
159.11751	0.9
161.06032	1.6
161.09537	0.6
163.03877	0.8
164.07051	1.1
165.05360	1.0
166.05005	1.0
167.07034	1.1
173.05940	0.8
177.05484	4.7
177.09108	1.7
177.12779	0.6
196.05037	0.6
205.06548	0.6
205.12029	0.5
207.08086	0.8
219.08102	0.7
223.07350	0.6
233.06015	0.9
234.06902	0.6
234.99002	2.0
235.07422	1.3
237.02689	1.0
245.04419	2.9
250.06291	0.8
261.05505	0.9
261.09085	0.6
261.12482	0.6
263.06958	0.6
264.07806	0.8
267.10095	0.5
277.08698	0.5
278.05820	0.6
287.05392	0.6
293.08142	2.0
295.09711	0.7
303.05020	1.5
303.12500	0.8
303.23108	0.7
307.09589	0.6
318.04922	1.1
321.13968	1.2
321.17380	0.6
321.24124	1.1
328.97543	0.7
339.04993	2.4
339.08667	1.2
339.12134	3.1
339.15475	0.8
339.25183	0.8
358.98630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94853	0.2
53.03948	0.6
55.01875	0.4
55.22853	0.2
57.03440	1.2
63.02382	0.4
63.93502	0.2
67.05523	0.2
69.03074	0.3
69.03434	5.0
69.03809	0.3
69.40261	1.1
69.40697	0.7
69.73441	0.2
71.01350	0.7
71.04977	0.5
78.04714	0.3
79.05487	0.4
81.03415	2.6
81.07053	0.3
85.02906	3.2
89.03923	5.6
89.04471	0.3
91.05488	2.2
93.07042	0.7
93.69777	0.2
95.04965	0.6
95.08611	0.4
97.02898	10.9
98.20730	0.3
98.97562	0.2
99.04452	0.8
101.02379	0.5
103.05472	0.4
105.07030	0.4
106.04165	0.5
107.04964	0.9
108.05732	0.6
109.02868	0.8
109.10168	0.3
111.04408	0.2
115.05470	1.2
117.03387	20.4
117.07025	0.9
118.03706	0.3
119.04916	0.7
119.08605	1.3
119.09418	0.2
121.06482	0.7
121.10105	0.2
127.03899	0.9
128.06223	0.5
129.07054	0.9
131.04897	0.4
132.05684	0.8
134.03654	1.4
135.04445	2.0
137.05980	0.4
141.06999	2.2
145.02852	50.9
145.06529	0.6
146.03191	1.5
146.07243	0.9
147.04422	2.8
147.06923	0.3
147.08052	4.1
149.05988	7.0
149.09685	0.2
150.06322	0.2
151.07549	14.6
158.07214	0.2
160.05235	1.0
162.03120	0.4
163.03932	1.1
163.07639	0.2
169.06502	3.4
175.07564	18.0
176.07925	0.3
176.68510	0.2
177.05478	100.0
178.05814	3.6
185.06038	0.3
186.05486	1.7
186.06851	0.4
187.05974	0.3
187.07494	0.4
195.06548	2.8
201.09123	1.4
216.04385	0.2
223.89207	0.2
247.07498	0.3
247.11032	0.2
255.83238	0.2
275.10876	0.2
277.08505	0.2
279.08578	0.4
307.09665	0.5
311.12570	0.2
321.09784	2.7
339.10751	9.4
339.15845	7.1
340.11224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90681	2.0
57.03428	2.4
60.08165	23.3
69.03433	7.9
70.43900	3.4
70.44279	4.7
73.02924	3.5
85.02914	13.7
91.05489	9.7
97.02898	7.3
97.36371	2.3
98.97586	4.4
99.04459	2.3
108.96025	2.1
116.98618	3.3
118.08662	6.3
119.04945	27.5
127.03987	4.8
145.04938	4.4
147.04422	100.0
177.04178	7.8
203.04105	3.2
219.01985	2.8
222.13339	20.8
237.02846	4.4
249.06300	14.2
258.06821	8.3
258.56992	5.2
321.14517	2.8
339.04785	17.0
339.08853	6.3
339.15558	6.5
347.73404	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2688
Annotation	Melophlin I
Peak:m/z	Relative Intensity
52.24641	1.1
53.03931	4.6
54.67982	1.4
55.01867	1.4
55.05506	9.3
57.03425	1.2
57.07066	2.5
62.06088	100.0
67.05173	1.7
67.05503	20.8
69.07065	13.1
69.89114	7.0
76.59015	1.2
78.91820	1.4
79.05487	14.5
81.03414	19.2
81.07055	20.7
82.06600	1.4
83.04971	5.7
83.08618	4.6
91.05453	6.0
93.07039	11.0
95.04975	11.9
95.08595	6.2
97.10175	3.2
98.06058	1.4
98.20814	1.5
99.08122	1.2
105.07021	10.1
107.08597	13.7
109.06514	2.5
109.10158	4.9
117.06924	1.2
119.08580	3.6
121.10135	4.7
123.11714	2.0
124.11242	7.7
125.09605	2.7
129.06950	1.6
131.08571	2.6
133.10141	4.6
134.85374	1.4
135.08040	1.9
135.11739	2.5
147.11681	4.0
149.13255	1.9
151.11189	8.1
161.13234	3.5
163.03897	2.2
163.14748	1.6
164.04269	2.4
165.12825	1.5
170.11769	3.5
170.45663	1.2
177.05463	2.1
196.13326	41.8
196.15099	2.4
203.17950	1.6
214.14383	71.9
215.14726	2.5
228.76495	1.2
241.19594	1.5
259.20612	1.7
277.21640	16.3
277.98920	1.3
278.21976	1.5
316.58459	1.4
320.25839	66.9
321.24374	5.4
338.09900	1.9
338.26907	60.5
339.19235	2.6
339.23526	1.5
339.27274	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	338.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
55.05510	1.7
56.93116	0.6
56.96568	1.1
61.02932	1.1
65.03928	1.2
67.05504	3.5
69.03425	2.4
69.07064	0.9
70.06570	1.0
70.21223	2.5
71.04988	0.9
73.02937	0.7
79.05490	2.6
80.55472	0.6
81.03418	1.7
81.07055	16.3
82.03977	0.7
82.40803	0.5
83.04984	1.5
85.02904	9.9
85.07668	1.3
86.09699	1.7
87.05614	1.0
87.09241	4.9
91.05481	7.1
93.07047	2.3
95.04980	1.0
95.08612	17.4
97.02893	2.1
97.06535	53.2
98.06833	1.3
98.97584	1.6
99.04391	1.4
99.08076	0.9
102.11154	0.6
105.07039	1.4
107.08595	0.8
109.02896	1.4
110.07176	1.1
111.08058	1.2
113.09665	0.6
118.83652	0.6
119.04945	17.1
123.08076	18.6
124.08387	1.1
127.03937	1.5
130.06500	0.9
135.11687	0.9
141.09106	100.0
142.09433	3.4
145.02869	1.3
145.05006	1.4
146.03571	0.6
147.04414	84.7
152.07043	0.7
159.10182	13.7
164.07162	0.7
165.05467	0.7
177.05441	3.9
193.51889	0.7
204.84662	0.8
217.15906	0.6
221.02838	0.8
248.03445	0.6
250.06123	0.7
266.04532	1.0
267.06100	0.8
310.07849	1.2
320.06204	0.8
338.07388	5.6
338.14160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85619	0.4
53.03935	1.7
54.78311	0.4
55.01867	0.8
55.05509	23.7
57.03437	15.6
57.07074	3.8
63.03084	0.6
65.03923	1.4
67.05502	49.5
68.05824	0.7
69.03410	0.6
69.07066	26.4
71.04568	0.6
71.04964	1.7
71.08618	1.8
79.05064	0.8
79.05493	11.9
79.38215	0.4
81.07054	52.0
82.07398	0.8
83.04973	1.5
83.08616	15.9
85.06525	2.3
85.10165	0.6
91.01810	0.4
91.05480	8.1
93.07038	13.0
94.07370	0.6
95.04955	1.0
95.08603	42.5
96.08943	0.8
97.06535	3.4
97.10164	7.7
99.08073	0.7
101.06031	0.6
105.07031	5.1
107.08585	7.2
109.06532	0.8
109.10152	17.3
111.08065	1.6
111.11685	1.2
116.95152	0.5
117.54279	0.4
119.08569	4.5
121.10126	5.9
123.08080	1.0
123.11718	7.0
125.09615	1.2
125.13287	0.8
127.11190	0.6
133.10127	5.2
135.11696	4.2
137.09590	1.1
137.13248	3.1
147.11693	4.3
149.13242	2.0
151.14793	1.5
161.13249	3.1
163.14790	2.4
165.12709	0.8
165.16412	1.2
175.14828	1.5
177.16371	0.8
179.17934	0.5
189.16382	1.4
207.17441	0.5
245.22617	3.6
261.41461	0.4
263.23672	4.8
264.24124	0.5
277.50513	0.5
337.27350	100.0
338.27631	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	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02180	1.0
51.02418	1.0
53.03932	2.7
55.05513	35.2
55.82921	1.0
57.03185	1.3
57.03439	16.3
57.07071	4.6
59.05000	2.5
60.45043	0.9
62.43493	0.9
62.79058	1.0
63.72031	1.0
65.03934	1.3
67.05507	59.5
68.05817	1.7
69.03422	1.6
69.07072	35.6
71.04986	2.1
71.08626	2.1
71.40260	1.9
79.05500	17.7
81.07061	63.4
82.07376	1.1
83.04980	23.3
83.08623	15.6
85.06551	2.8
85.82818	1.1
91.05485	14.0
93.06476	1.8
93.07049	28.6
95.04940	1.6
95.08611	43.9
96.08922	1.5
97.06526	4.2
97.10174	8.6
99.08078	1.7
105.04536	1.1
105.06395	1.4
105.07040	18.1
107.08595	12.5
109.06502	1.4
109.10161	17.6
111.08079	3.4
111.11771	1.2
117.07012	1.5
119.08587	12.0
121.10143	16.9
123.08080	2.5
123.11725	9.0
125.09612	2.3
131.08588	2.4
133.10139	7.4
135.11679	3.9
137.09592	1.8
137.13246	3.5
141.04054	1.0
145.10161	2.5
147.11700	9.2
149.13242	3.3
151.11188	2.7
155.10614	2.2
159.11726	1.4
159.86610	1.0
161.13315	3.9
163.11224	1.2
163.14828	1.5
165.12917	1.1
175.14755	1.0
184.49335	1.2
200.79630	1.2
201.16318	2.9
245.22615	2.2
263.23718	2.8
297.18472	2.5
337.17932	2.9
337.23978	4.7
337.27362	100.0
338.24261	1.0
338.27710	5.5
352.81989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03924	1.6
55.01872	0.7
55.05511	25.1
56.12164	0.5
56.27688	0.5
56.71055	0.5
57.03436	18.3
57.07074	4.4
57.30678	0.5
65.03923	1.9
67.05503	52.8
68.05829	1.5
69.07066	30.2
69.56454	3.0
69.56874	1.5
70.07388	0.8
71.04988	1.2
71.08613	1.8
71.65161	0.5
79.05052	1.0
79.05492	13.0
81.07054	54.5
82.07390	1.3
83.04978	1.5
83.08616	15.1
85.06532	1.7
91.05478	9.1
93.07047	13.0
95.04963	1.4
95.08607	40.2
96.08904	1.2
97.06524	3.3
97.10174	8.0
97.37731	0.6
98.21587	0.7
99.08083	1.2
105.07021	6.3
107.08598	8.1
109.06490	0.9
109.10154	14.9
111.08084	2.1
111.11715	1.3
119.08566	4.8
121.10155	6.2
123.08057	0.7
123.11690	7.4
125.09643	1.0
131.08530	0.6
133.10127	5.3
135.11693	3.4
137.09567	0.9
137.13223	3.1
139.11168	0.8
147.11700	2.9
149.13240	2.8
151.14862	1.5
161.13226	2.7
163.14792	1.6
175.14856	2.5
177.16360	1.0
189.16397	0.7
245.22647	2.2
263.23755	4.8
337.27362	100.0
338.27783	7.0
353.48572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03939	0.7
55.01871	0.9
55.05513	23.8
57.03437	15.5
57.03664	0.3
57.03730	0.4
57.07079	3.5
59.04997	0.4
65.03941	1.7
67.05505	53.4
67.55214	0.2
68.05833	1.1
68.98925	0.2
69.03426	0.3
69.07068	31.1
70.07398	0.5
70.54280	0.3
70.54672	0.5
71.04998	1.5
71.08629	1.6
73.06577	0.2
74.09746	0.2
77.03930	0.2
79.05492	13.8
81.07056	50.4
82.07372	0.9
83.04988	2.0
83.08618	15.5
84.09003	0.2
85.06537	1.6
85.10156	1.0
91.05481	8.0
93.07044	13.3
94.07360	0.2
95.04978	1.1
95.08606	37.2
96.08932	0.9
97.06531	3.5
97.10168	6.8
98.10480	0.2
99.08113	1.2
101.06016	0.3
105.07032	7.1
107.07863	0.3
107.08594	7.5
109.06512	0.8
109.10157	13.9
110.10480	0.5
111.08076	1.4
111.11703	1.6
113.09638	0.5
115.07575	0.2
117.07018	0.2
118.81922	0.2
119.08579	5.5
121.10145	6.6
123.08066	1.1
123.11709	6.3
124.12027	0.4
125.09624	1.0
125.13280	0.3
127.07561	0.2
127.11211	0.2
131.08601	0.4
133.10129	4.8
135.11687	3.5
137.09607	0.7
137.13257	2.6
139.11160	0.5
145.10088	0.2
147.11688	3.8
149.13249	2.1
151.11172	1.0
151.14810	1.4
153.12726	0.5
159.11624	0.3
161.13242	3.1
162.13553	0.2
163.14827	1.9
165.12697	0.3
165.16420	0.5
167.14264	0.4
173.13255	0.3
175.14851	2.1
177.16357	0.4
179.14302	0.6
189.16385	0.7
193.15967	0.3
203.17982	0.5
207.17380	0.2
245.22675	1.3
263.23697	2.5
337.27359	100.0
338.27707	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	337.2733
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.93474	0.7
53.03943	1.8
55.01874	0.9
55.05514	24.5
57.03191	1.2
57.03441	15.6
57.07070	4.9
65.03930	1.8
67.05507	53.8
68.05836	0.8
69.07070	31.0
71.04988	0.9
71.08652	1.4
71.60273	1.3
79.05494	12.7
81.07059	53.6
82.07391	1.2
83.05000	1.6
83.08629	16.1
85.06517	1.3
91.05467	7.6
93.07050	12.3
95.04964	2.3
95.08609	41.0
96.08955	1.7
97.06521	3.1
97.10167	7.8
99.08070	1.2
105.07040	6.8
107.08604	8.3
109.06486	1.1
109.10155	16.7
110.10534	0.7
111.08047	2.3
111.11709	1.6
119.08588	6.4
121.10148	7.2
123.11729	6.6
125.09641	1.8
133.10144	6.5
135.11679	4.7
137.09608	0.9
137.13249	2.7
147.11734	3.5
149.13242	3.2
151.14857	0.9
161.13271	2.8
163.14856	2.7
165.12828	1.0
167.14323	0.9
175.07591	0.9
175.14824	2.4
189.16446	1.3
233.92375	0.7
245.22569	3.2
246.23190	1.0
263.23737	5.9
280.86441	0.7
337.27374	100.0
338.27744	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	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03941	1.5
55.05511	23.9
57.03438	14.8
57.07076	3.9
63.07806	0.5
65.03940	1.4
67.05506	48.4
68.05838	0.6
69.03400	0.5
69.07069	27.7
70.17798	2.2
71.04983	1.1
71.08614	1.5
79.05055	0.9
79.05491	12.3
81.07058	47.0
82.07389	0.7
83.04978	1.7
83.08616	15.5
83.09115	1.0
85.06539	1.5
91.05485	7.8
93.07050	12.5
95.04955	1.1
95.08608	37.5
97.06542	2.9
97.10164	8.0
99.08124	1.3
105.07035	6.3
107.08597	7.2
109.06522	0.6
109.10156	16.2
111.08075	1.7
111.11736	2.3
119.08586	5.5
121.10145	5.8
123.08063	1.3
123.11715	7.1
125.09600	0.9
133.10135	5.1
135.11684	3.6
137.09610	0.7
137.13260	2.6
139.11237	0.7
142.23935	0.5
147.11685	3.4
149.13235	2.1
151.11203	1.0
151.14786	1.2
153.12772	0.6
159.11693	0.6
161.13249	3.0
163.14856	1.7
165.12759	0.6
165.16463	1.0
175.14795	2.0
176.99126	0.5
177.16353	0.6
179.14348	0.6
179.17838	0.7
189.16414	1.0
207.17424	0.8
245.22563	2.9
263.23682	3.7
264.24130	0.7
283.20828	0.5
301.21536	0.8
319.22745	1.1
319.26178	0.6
337.27371	100.0
338.27716	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	337.2375
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
53.03943	7.3
55.01866	5.6
55.05513	68.5
57.03429	10.9
57.07069	4.9
59.04995	11.5
67.05508	51.8
69.03426	6.6
69.07069	29.7
70.12983	12.9
71.04987	9.8
79.05499	27.5
81.07059	98.0
82.79433	2.6
83.04984	100.0
83.08603	14.0
85.06529	4.4
91.05482	31.3
92.43846	2.6
93.06474	4.2
93.07050	82.1
95.04970	8.0
95.08608	52.1
95.09170	4.7
97.06544	15.1
97.10172	7.3
98.20840	3.0
99.08112	2.7
101.06023	5.7
103.05450	3.6
105.07035	71.4
107.08604	44.4
107.44606	2.5
109.06545	8.2
109.10153	42.3
111.08096	16.1
117.07025	7.3
119.08592	47.6
121.10146	48.2
122.10493	2.6
123.08057	8.7
123.11683	19.8
125.09616	6.7
127.11253	3.1
129.06973	3.1
131.08559	12.9
132.05608	2.4
133.10152	30.2
134.10425	2.4
135.08075	3.2
135.11696	16.2
137.09657	5.2
139.11229	3.8
143.07372	2.7
143.08569	3.9
145.10141	24.3
147.11690	36.3
149.13304	3.9
151.07573	3.3
151.11166	18.0
155.10637	7.1
157.10149	3.1
159.11726	21.6
161.13269	11.7
163.11201	7.3
173.13252	5.3
175.07510	2.7
175.14882	5.5
182.91145	3.0
191.17960	7.0
201.16403	15.6
219.17311	13.5
319.22543	6.0
323.45181	2.9
337.23721	12.5
337.27380	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
50.80599	1.0
52.40395	1.1
53.03928	1.2
55.05265	1.4
55.05514	22.6
57.03188	1.2
57.03442	16.3
57.07080	5.4
65.03922	2.5
67.05506	49.4
68.05842	1.2
69.03426	1.7
69.07070	31.0
69.97674	2.2
69.98092	3.8
71.05008	1.5
71.08627	1.6
79.05494	13.9
81.07059	54.5
83.04983	1.8
83.08622	17.1
85.06546	2.9
87.04422	1.0
90.04305	1.1
91.05478	11.1
93.07051	19.3
95.04970	3.8
95.08611	48.4
96.54152	1.0
97.06512	5.0
97.10167	9.9
99.08089	2.4
101.67475	1.0
105.07022	12.1
107.08587	14.2
109.06528	2.7
109.10163	24.3
110.10442	1.5
111.08064	3.1
111.11704	2.2
115.91132	1.2
117.06984	2.1
119.08588	21.1
121.10156	13.0
123.08064	2.7
123.11725	11.5
125.09619	2.5
125.13135	1.0
131.08571	2.2
133.06497	5.5
133.10129	11.4
135.08064	3.9
135.11682	9.5
137.09608	3.0
137.13242	5.1
143.08582	3.2
145.10117	5.1
147.11699	8.0
147.22865	1.1
149.09633	4.3
149.13255	4.6
151.11212	2.0
151.14903	1.3
157.10123	2.7
157.24220	1.0
159.11700	8.5
161.09662	2.2
161.13274	9.0
163.14865	3.1
171.11719	4.8
173.09601	1.5
173.13278	3.8
175.11201	4.0
175.14842	4.6
177.12758	2.9
177.16356	2.0
179.10686	1.3
179.14311	1.3
184.38036	1.3
185.13277	4.4
187.14879	4.1
189.12772	2.6
189.16457	1.7
199.14838	4.0
201.16408	2.6
203.14330	4.6
203.17960	1.3
205.15892	2.6
205.65086	1.1
213.16423	1.4
214.08119	1.1
231.13820	4.2
241.19547	3.3
245.15518	1.5
245.18990	1.7
245.22758	2.5
255.21025	5.3
259.20462	1.6
263.23740	4.3
265.19485	2.5
273.22150	6.7
281.99750	1.2
283.20557	6.7
300.10059	1.2
301.21640	20.5
319.22690	21.2
320.23138	1.3
337.23853	5.3
337.27368	100.0
338.27682	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	PGB1
Peak:m/z	Relative Intensity
55.05497	22.6
61.96250	5.9
62.47971	6.6
67.05480	24.4
67.09356	4.9
69.03427	12.9
69.07082	12.3
71.59742	7.3
74.11498	4.5
79.05482	16.3
81.07063	26.3
83.04954	9.1
83.08605	17.7
85.02907	6.8
91.05450	15.7
91.90042	5.8
93.07037	22.9
95.04966	12.1
95.08603	47.4
97.06534	8.0
99.08103	100.0
105.07018	22.4
107.04993	6.4
107.08602	33.8
109.10158	22.0
111.08037	6.5
113.05981	13.3
117.06989	6.3
119.08565	23.9
121.06516	5.4
121.10130	19.5
123.08047	12.0
123.11722	8.9
125.05988	5.8
125.09624	47.5
131.08553	10.1
133.10136	14.3
135.08116	7.3
135.11661	37.4
147.11685	14.8
149.13260	14.4
151.07550	81.1
153.12778	6.0
159.11696	12.6
161.09558	5.5
163.03850	14.8
176.11945	14.8
177.12712	8.1
187.14775	6.6
195.13799	50.2
203.14319	5.2
208.35962	6.3
225.05574	6.3
231.50594	5.6
241.08662	6.6
276.07831	5.4
305.08109	7.1
319.22614	50.7
322.08170	11.4
337.10486	36.8
337.14352	14.6
337.24106	6.2
337.28973	5.1
358.09863	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	337.2372
Annotation	hepoxilin B3
Peak:m/z	Relative Intensity
53.03941	3.8
55.01870	2.1
55.05510	62.8
57.03177	2.1
57.03438	15.4
57.07067	4.4
59.04982	8.1
65.03927	2.1
67.05505	61.9
69.06725	3.1
69.07069	42.1
71.04993	8.0
71.60838	2.5
79.05492	28.4
81.07058	83.6
83.04983	77.9
83.08624	16.1
85.06542	3.6
91.05479	26.4
93.06468	3.5
93.07044	61.3
95.04953	7.0
95.08604	49.2
97.06516	10.5
97.10154	7.8
99.08120	2.8
101.05999	2.4
105.07034	49.8
107.08595	26.7
109.06501	4.0
109.10159	29.6
110.10516	1.7
111.08089	8.6
117.07034	3.8
119.08578	31.9
121.10139	45.0
123.08044	4.3
123.11701	13.0
125.09631	3.1
131.08554	4.0
133.10124	17.2
135.11670	10.2
137.09615	2.6
137.13261	3.2
139.11221	2.7
145.10150	8.3
147.11694	26.0
149.13293	5.0
151.11183	7.5
155.10661	10.9
159.11684	6.6
161.13268	6.4
163.11174	6.6
163.14780	1.6
165.12813	2.8
166.43340	1.7
175.14766	4.3
183.24242	1.8
186.19267	1.5
201.16365	4.6
219.17456	3.3
263.23666	3.0
277.65567	1.7
319.22665	3.7
337.17599	4.4
337.23709	14.1
337.27371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	5,6-DiHETE
Peak:m/z	Relative Intensity
55.05507	47.4
56.96570	54.8
64.36382	15.7
65.94978	14.5
67.05490	55.0
69.07062	47.1
77.47720	17.1
79.05495	31.8
81.03411	23.1
81.07058	66.6
85.06557	20.4
88.38489	13.8
90.81439	13.3
91.05489	33.3
93.07058	55.0
95.04990	35.1
95.08602	77.1
96.38770	16.6
97.06554	31.3
98.97640	23.2
99.83062	16.2
105.07035	58.5
107.08608	100.0
109.10166	52.1
116.98605	27.9
119.08577	86.5
121.10161	69.1
123.11720	52.6
125.61147	16.4
129.06999	17.4
131.08598	23.9
133.06526	23.5
133.10136	53.9
134.45657	18.0
135.08041	34.6
135.11702	40.0
137.13283	26.3
145.10130	61.8
147.11713	32.6
159.11734	39.8
161.13257	51.7
163.14726	17.3
163.54497	17.2
175.07765	16.0
175.11281	17.4
175.14848	23.6
185.13254	22.1
187.14796	19.6
217.15970	18.5
247.20319	18.6
273.22217	43.6
283.20419	32.4
301.21771	88.7
319.22678	97.0
337.17224	30.9
337.23669	38.7
343.21552	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	337.2371
Annotation	PGB1
Peak:m/z	Relative Intensity
55.05495	29.0
57.07070	10.4
67.05491	36.9
69.03428	20.8
69.07055	25.5
69.87370	8.6
70.00402	17.0
70.00800	29.0
79.05485	28.6
81.07079	55.0
83.08601	42.4
84.04496	16.0
85.06532	23.5
87.08061	10.1
91.05479	29.3
93.07072	49.8
95.04971	31.4
95.08611	79.3
97.06547	16.1
97.10142	11.0
98.21355	14.5
99.04444	11.5
99.08095	78.6
105.07018	47.8
107.04952	13.5
107.08609	78.0
109.02918	10.4
109.06500	11.7
109.10154	64.7
113.06033	11.4
113.09573	10.1
119.08586	57.4
121.10159	53.6
123.08044	12.8
123.11733	15.8
125.09644	47.9
129.09074	12.3
131.08525	16.7
133.10121	49.6
135.04451	13.5
135.11711	57.6
135.12581	11.2
137.09598	14.9
145.10127	30.8
147.11707	33.0
149.13242	30.7
151.07510	48.5
151.11166	10.2
157.10156	16.5
159.11699	27.5
161.13232	12.5
163.03938	100.0
163.11159	20.8
165.09073	11.4
173.13260	32.7
175.07518	21.0
175.11246	16.1
175.14842	11.8
177.12769	23.0
187.14778	11.8
195.13802	47.1
199.14848	11.6
241.19650	13.8
259.20651	10.8
277.08670	16.3
277.21518	20.7
283.20569	19.6
294.05255	12.3
295.08502	23.0
301.21725	57.3
305.08206	15.8
319.22760	92.8
337.10181	63.2
337.14368	17.7
337.23755	13.1
338.11133	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	337.2372
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
52.86733	11.6
52.88864	11.5
55.05515	29.6
56.96563	51.2
57.07071	15.6
67.05506	36.4
70.25958	12.4
71.20454	18.0
78.89833	13.7
79.05491	31.8
81.07060	49.5
83.04974	12.0
83.08617	14.4
91.05476	27.5
93.07055	37.2
95.04987	14.4
95.08593	100.0
96.08914	13.6
97.06510	26.8
105.07036	42.3
107.08601	48.9
109.10169	44.3
119.08592	38.6
121.10141	39.2
122.10492	11.9
123.11728	24.7
131.08638	17.6
132.08858	14.2
133.10176	33.6
135.04466	14.5
135.11731	40.0
143.08633	17.6
145.10202	23.1
147.11678	17.1
157.10112	26.0
159.11652	21.1
160.12129	16.4
161.13364	20.2
171.11603	17.6
175.07620	17.8
177.05446	18.7
185.13269	13.7
187.14780	12.4
231.13734	15.9
301.21649	47.0
302.22034	63.0
308.25217	13.3
320.23059	15.1
322.16409	15.7
327.67957	26.6
336.69196	16.8
337.14169	18.6
337.17914	30.3
337.23395	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1433
Annotation	Hemileiocarpin
Peak:m/z	Relative Intensity
57.03391	0.5
59.13589	0.6
69.07066	0.7
69.49960	4.4
73.76007	0.5
77.74763	0.5
79.05485	1.5
80.06243	0.5
81.07040	1.2
91.05481	4.3
93.07037	1.2
95.04943	0.8
95.08604	1.0
97.06538	0.5
98.20766	1.2
102.04666	1.4
103.05462	0.7
104.58931	0.5
105.07033	3.1
107.04942	1.8
107.08624	1.1
108.05701	0.6
108.97552	0.5
109.10158	1.2
115.05445	6.2
117.07009	2.3
119.04945	0.5
119.08598	1.4
121.06511	1.4
121.10098	0.6
128.06245	1.5
129.07004	2.2
130.04155	4.0
131.04945	2.7
132.05705	2.3
133.06490	4.3
135.04417	0.8
136.05200	6.9
137.05988	0.6
139.05438	1.3
141.06999	0.8
143.06090	1.3
145.06467	2.9
145.10104	0.8
146.07291	0.9
147.08032	2.0
151.07547	24.1
153.06976	0.8
156.05733	0.7
157.06430	0.7
159.08034	2.7
160.05209	32.1
161.05966	5.8
163.07571	1.4
167.04910	1.9
168.05714	0.7
169.06442	1.5
171.08061	1.5
173.05969	0.8
174.06737	0.6
175.07550	100.0
176.07947	4.9
181.06508	0.8
184.05205	2.4
185.06020	0.8
189.09125	0.9
191.08569	1.2
199.07520	9.9
201.09171	0.9
202.07851	1.8
203.08525	3.9
204.09386	1.0
205.10222	0.7
206.92943	0.5
207.07977	0.6
215.08588	4.0
216.09276	0.6
217.10162	2.0
218.07310	1.6
219.08098	4.2
220.08720	1.7
221.09604	0.6
227.08658	0.7
230.07288	1.8
231.08072	9.4
232.08774	2.6
233.09593	6.1
234.06555	0.8
234.10388	1.7
235.11157	1.8
236.08144	0.6
243.08064	4.7
244.08794	1.7
245.09605	7.4
246.10349	7.0
247.07539	6.9
247.11328	0.8
248.08290	2.9
249.09082	1.4
251.10736	1.0
257.06198	0.8
258.06793	2.0
259.07532	6.6
260.08334	3.0
261.09128	8.3
262.09894	4.8
263.06781	0.7
263.07892	0.6
263.10684	6.1
264.07709	0.7
272.08325	1.0
273.09094	10.0
274.09875	12.7
275.07077	4.3
275.10611	7.2
276.07828	2.8
276.11417	1.1
277.09030	0.9
277.12234	9.9
278.12894	1.5
279.10175	2.3
288.11368	0.9
289.08731	3.5
290.09381	6.4
291.10159	20.5
292.07391	0.9
292.10379	1.2
305.08319	1.0
305.11731	22.0
306.12491	29.4
307.09674	6.3
307.13000	1.9
309.11353	1.0
309.14844	1.8
321.11310	0.8
322.12003	7.3
323.12170	0.7
330.43427	0.6
337.14343	73.8
338.14783	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	337.0915
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
51.21499	0.2
53.03938	0.7
53.55273	0.2
55.05495	0.6
56.96560	0.2
63.02371	0.3
65.03938	1.3
67.05173	0.2
67.05503	2.2
69.03433	1.2
70.06562	0.9
70.06941	1.0
71.06923	0.2
79.05506	1.2
81.07046	0.7
83.04982	1.6
85.02905	0.5
86.09669	0.2
89.03400	0.4
89.03915	5.1
91.05468	0.7
93.03398	1.6
93.07028	0.4
95.04967	7.2
95.08619	0.3
97.02882	1.2
98.21490	0.3
105.03387	2.4
105.07035	0.3
107.04965	2.1
107.08587	0.2
109.10156	0.2
111.04476	1.5
116.07073	0.4
117.03374	7.1
119.04902	0.2
119.08601	0.4
120.08076	1.1
121.02857	0.5
121.08425	0.6
127.03876	0.2
133.10150	0.4
135.04416	18.2
136.04823	0.2
137.05972	0.3
137.69077	0.2
138.06335	0.2
139.03897	1.9
144.10190	0.5
145.02847	13.8
146.03105	0.2
147.11636	0.3
163.03902	100.0
164.04230	1.7
177.10263	0.2
181.04950	2.6
186.05435	0.5
228.04672	0.6
229.00200	0.5
235.03394	0.2
237.02847	0.4
237.05180	0.3
238.78465	0.2
239.55373	0.3
277.08646	0.2
301.74869	0.2
303.92154	0.2
309.07660	0.2
319.08026	0.2
337.09177	46.3
338.09549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.7
56.96342	2.2
56.96570	27.9
57.03438	27.1
65.66978	1.8
69.03429	11.6
70.80979	5.7
70.98103	7.5
72.08157	2.3
73.02905	6.7
75.58755	1.7
81.03426	2.1
84.08128	1.6
84.95996	3.2
85.02901	23.1
86.09739	3.5
88.99139	5.7
97.02889	18.6
98.97588	35.2
99.04449	3.0
107.00198	2.4
110.97568	8.8
112.05090	6.8
112.99143	3.1
113.03462	2.8
115.03900	2.6
115.57633	1.8
116.98611	21.6
119.01867	5.1
121.01675	2.9
124.95535	2.2
127.03900	13.3
128.98622	14.9
131.00179	4.7
131.01880	3.3
133.01704	4.8
133.03410	2.4
133.04945	2.5
134.99677	11.6
140.98663	3.4
142.96529	2.8
143.01852	2.6
145.01642	3.0
145.04945	6.8
146.99646	15.8
149.01228	2.9
149.02887	2.4
150.30272	1.7
155.01836	2.3
157.01593	2.2
158.99692	5.9
159.03174	1.8
160.97513	3.1
161.01262	3.2
161.02853	4.3
163.02783	2.9
163.06311	2.0
165.00713	8.1
170.96063	2.3
170.99626	6.9
173.02896	3.9
174.04527	6.0
174.54622	7.3
174.99112	2.1
175.02858	3.1
175.04475	6.8
177.00739	8.9
182.03380	7.1
183.04959	4.1
183.55095	5.2
184.05020	4.3
184.97621	2.5
185.02989	3.6
187.06282	2.5
188.97107	9.7
189.00658	10.3
190.98616	2.4
191.02330	3.1
191.03912	12.2
193.00259	2.3
193.03873	2.3
200.04453	5.8
201.00731	5.3
202.98656	5.1
205.00116	2.8
206.98154	8.5
207.01778	7.2
212.97154	1.8
217.00089	2.6
219.01817	18.4
220.99741	5.6
221.04936	2.0
223.01265	1.8
230.98196	9.9
235.01115	2.7
237.02841	13.8
244.99727	6.9
245.05090	3.0
248.99240	2.3
255.07114	1.8
255.57233	9.0
256.07224	6.9
261.02808	2.0
263.00815	22.9
263.06046	13.0
270.05289	2.2
272.06500	16.6
277.02301	9.2
277.05756	4.0
281.01715	5.2
288.06326	2.4
295.03680	3.6
295.07016	17.9
295.10211	2.8
301.68277	1.8
332.10327	2.5
337.08841	100.0
338.09476	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
70.09904	7.7
74.09717	2.2
97.54686	1.6
98.21429	2.5
103.90240	2.0
119.01937	2.1
131.01846	2.4
140.06836	4.9
145.03448	3.9
157.03456	1.9
170.94051	2.1
173.02887	3.3
217.01898	4.3
220.10596	2.6
229.02071	3.3
304.51117	1.6
336.95184	2.2
337.08957	100.0
338.09451	2.3
356.93951	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
56.96290	2.7
56.96569	42.0
57.03443	16.3
60.16248	1.5
61.02914	2.2
69.03432	12.1
70.06581	1.6
70.95378	3.5
70.98130	7.9
73.02921	5.5
74.97600	2.5
81.03398	2.1
82.56799	1.5
84.96032	6.1
85.02910	17.5
86.09689	4.3
88.99155	6.6
97.02898	16.0
98.96935	3.1
98.97580	51.6
99.04448	1.7
99.39592	1.6
107.00195	2.1
110.97565	10.8
112.05101	5.3
112.99149	5.6
113.03506	3.5
115.03951	4.2
116.98628	30.9
119.01873	5.3
121.01649	3.5
127.03923	9.8
127.84745	1.4
128.98615	21.3
131.00182	8.8
131.01907	4.0
132.10214	1.7
133.01721	5.5
133.03365	1.6
133.04962	2.0
134.99666	13.8
136.03792	1.7
140.02267	5.5
140.98582	2.2
142.96518	5.2
143.00208	3.4
143.01930	2.3
144.98085	2.5
145.03474	2.7
145.04948	4.6
146.99669	20.2
149.01251	7.9
151.02730	2.6
152.98651	1.6
153.00671	2.4
155.01802	2.5
156.98218	2.1
157.01685	1.8
157.03482	1.7
158.99654	9.9
160.97572	3.0
161.01244	4.5
161.02933	5.1
163.02779	3.3
163.06311	2.2
165.00710	16.3
167.02126	1.8
170.96107	2.2
170.99710	7.2
173.01328	3.1
173.02991	3.9
174.04463	3.1
174.11209	1.9
174.54616	6.7
174.99173	2.0
175.02782	6.4
175.04500	7.2
177.00706	12.5
182.03355	7.6
182.99681	2.9
183.01698	1.6
183.05026	3.0
183.55107	2.4
184.04961	3.3
184.97618	4.3
185.02957	2.3
187.02751	4.5
187.04541	2.8
187.06256	2.4
188.97054	14.3
189.00764	12.2
190.98671	3.4
191.02315	2.2
191.03870	17.8
193.00232	5.8
193.03821	2.8
197.02937	1.8
200.04468	3.3
201.00745	6.3
202.98637	9.8
203.02405	1.8
205.00186	4.5
206.98157	12.7
207.01747	8.0
211.04688	2.0
217.00191	3.0
217.03729	2.4
219.01784	22.4
220.99696	5.3
223.01250	3.6
223.04932	2.1
224.99300	2.0
229.03871	2.0
230.98097	13.9
231.01762	2.3
232.99805	2.4
235.01234	3.4
237.02843	29.5
239.04190	2.5
244.99709	8.7
245.05128	4.0
246.56934	2.0
247.04709	2.5
248.99283	7.6
249.02791	2.0
255.04059	2.5
255.57265	5.9
256.07297	3.2
257.05170	1.5
261.02817	3.0
263.00775	38.1
263.05978	14.9
272.06573	21.5
277.02313	5.7
277.05963	9.9
279.03934	1.5
281.01834	6.3
288.06415	1.7
295.03552	2.0
295.06967	44.0
295.10294	3.7
305.01920	3.6
313.04572	1.6
323.03195	1.5
332.10358	3.3
337.08798	100.0
338.09006	5.0
355.09085	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	336.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87936	1.8
55.05500	5.9
57.03427	3.2
67.05508	18.9
68.05836	3.1
69.03418	2.5
69.07073	15.7
70.79690	5.5
79.05482	8.1
81.07068	22.1
82.07388	2.8
83.04976	4.9
83.08624	4.3
91.05476	4.7
93.07056	16.2
95.08614	29.6
96.08933	3.1
97.06525	8.3
105.07033	8.1
106.07396	2.0
107.08593	13.0
108.08889	2.9
109.10181	18.7
110.10457	2.0
111.50069	1.9
117.06985	2.2
119.08594	26.6
120.08933	2.3
121.10144	8.2
123.08044	2.3
123.11705	7.5
126.84446	2.2
131.08565	2.3
133.10146	9.1
134.10239	2.0
135.08076	1.9
135.11667	5.2
136.12022	2.2
137.09578	7.0
137.13251	6.6
143.08522	3.4
145.10155	5.4
147.11674	9.2
148.12036	2.5
149.09543	1.9
149.13200	3.1
151.11205	3.4
155.91183	1.8
157.10107	3.6
159.11676	8.2
161.13277	5.7
163.11107	2.5
163.14690	2.2
169.10124	4.5
171.11732	1.9
181.12224	2.1
201.16399	1.9
209.11794	3.5
217.19479	2.9
231.09158	2.5
239.17960	2.9
245.15240	2.7
251.16466	3.4
261.18463	2.1
263.16446	8.3
283.20584	2.4
300.20343	1.9
301.21597	15.6
318.21365	4.9
319.22711	100.0
332.75479	2.1
336.22351	7.0
336.25858	13.5
337.17963	2.3
337.27469	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	336.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17871	1.4
55.05515	11.5
57.03431	6.7
58.66781	1.8
60.75657	1.6
61.22207	1.5
67.05170	2.7
67.05508	42.6
68.05830	3.2
69.03406	2.8
69.07071	16.4
69.38337	3.2
69.38673	16.4
75.66058	1.5
79.05498	11.9
80.05857	2.3
81.07062	32.3
82.07391	4.3
83.08624	7.1
85.06532	1.9
91.05476	6.5
92.05803	1.6
93.07039	15.6
95.04966	6.6
95.08047	3.0
95.08613	42.1
96.08887	3.8
97.06520	2.0
97.10136	4.2
101.94333	1.6
102.09731	1.6
105.07039	15.6
106.07392	2.1
107.08593	18.9
108.08918	2.7
109.06474	4.2
109.10162	100.0
110.10526	2.3
111.04490	1.7
118.07334	1.6
118.08307	1.7
119.08582	24.1
120.08907	2.5
121.06502	4.8
121.10141	14.3
122.10461	2.6
123.08057	3.1
123.11723	10.0
131.08575	4.4
133.10133	14.9
134.10493	2.5
135.08020	3.2
135.11714	3.8
137.09647	3.7
145.10133	4.9
147.08054	4.0
147.11696	29.8
148.12093	3.1
149.09622	2.2
149.13242	2.9
157.10109	2.6
159.11737	8.6
160.08827	6.5
161.09676	2.2
161.13254	5.9
163.14880	2.2
165.12741	3.2
171.11719	4.4
173.09669	2.7
173.13324	7.5
175.07561	1.7
175.11192	58.9
175.14726	4.2
177.16467	1.9
185.13239	4.0
187.14847	3.8
189.16385	6.1
191.10660	4.5
191.17929	1.9
193.12250	27.8
199.14871	2.7
201.12643	1.8
201.16414	3.0
213.16414	7.5
217.12318	2.3
231.14020	2.7
241.19345	2.1
255.21083	4.2
257.22491	2.1
283.20544	5.9
301.21652	56.8
302.22137	2.2
318.21579	2.4
319.22708	43.1
336.22409	3.6
336.26050	23.2
337.27374	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	336.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
55.05511	16.8
56.05023	6.2
57.03440	3.1
58.42919	2.0
58.99575	3.9
59.06124	9.5
67.05510	27.2
69.03419	2.8
69.07066	19.5
70.06567	1.9
71.05003	11.7
71.05331	2.2
71.36219	1.9
72.08147	2.8
76.02213	8.2
79.05495	14.9
81.07057	76.0
83.04961	6.5
83.08621	14.6
85.06548	19.1
85.71613	1.9
86.99056	6.3
88.03986	3.4
89.03925	2.2
91.05479	18.8
93.07050	18.6
95.08607	86.2
96.08951	2.3
97.02898	6.1
97.06535	24.7
97.10154	6.3
99.08095	11.7
101.05994	2.2
101.07153	15.4
102.05534	17.7
102.06643	2.6
102.07432	4.4
103.08689	3.1
105.00099	6.9
105.07040	25.6
107.08601	11.4
109.10149	11.1
111.08072	8.1
113.09634	4.5
115.07587	4.5
117.69136	1.9
119.07781	3.6
119.08574	36.6
120.08097	4.6
120.08886	2.6
121.10114	12.8
122.02729	13.9
123.08075	6.6
133.10123	33.1
135.11711	20.9
137.09637	5.7
137.13263	15.9
141.09116	2.2
141.87634	2.1
145.02855	2.0
145.06487	2.0
161.13257	100.0
162.13596	2.4
163.03894	5.9
173.17166	2.1
176.94478	3.0
177.22836	2.4
179.14310	88.5
180.10196	3.1
180.14655	2.9
185.15334	5.4
197.15367	80.7
209.16360	2.4
215.16422	16.1
215.40753	2.4
229.12598	6.8
266.05978	2.2
273.15189	7.9
305.08051	4.4
308.54138	1.9
309.07748	5.0
318.17215	5.1
319.15704	37.3
336.18329	37.9
336.22073	3.8
337.07004	8.3
337.10599	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	336.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01870	6.0
55.05521	2.8
56.05024	1.2
57.03415	5.6
61.02915	5.4
68.99785	3.2
69.03430	35.4
69.07039	1.1
70.06580	4.5
71.04990	3.5
71.50395	1.4
71.50713	1.7
72.08155	1.4
73.02899	4.6
81.03416	18.9
81.07079	1.4
85.02904	100.0
86.09689	1.4
87.00827	31.3
88.07629	56.5
91.05487	1.8
97.02888	20.3
99.04449	12.4
105.01860	39.9
109.02879	20.3
110.07188	7.8
115.03878	1.5
117.01887	1.2
120.08093	3.4
127.03917	52.6
129.01834	2.8
135.04428	1.5
143.97783	1.1
145.04953	19.2
147.02840	2.0
156.07698	2.0
159.02901	8.3
163.03920	3.2
174.09067	2.1
189.03914	3.7
195.58772	1.1
213.04025	1.7
231.04974	11.0
232.88853	1.2
249.05972	1.8
272.11298	1.8
336.15445	3.3
336.19339	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05507	14.6
57.02126	4.2
57.03417	11.7
67.05505	67.8
69.07056	17.2
69.31164	11.1
69.31567	43.6
79.05499	27.9
81.07056	60.7
90.55231	4.2
91.05486	16.9
93.07045	34.2
95.04945	5.6
95.08611	49.7
105.06995	13.8
107.08588	17.6
109.10149	21.3
111.08034	4.4
119.08549	12.2
121.10163	14.3
131.08566	8.6
133.10155	7.1
135.11729	10.1
145.10071	5.9
147.11661	5.7
149.13312	6.0
153.09036	5.7
155.10265	4.4
159.11737	4.7
255.26062	4.9
261.22275	6.4
317.20987	5.8
335.22192	7.3
335.25772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34991	5.9
55.05509	29.0
57.03429	23.4
59.93677	6.5
67.05490	84.1
68.74548	6.0
69.07058	20.2
69.53855	6.5
69.58418	13.9
69.58830	37.7
71.04964	8.1
79.05479	31.6
79.96939	6.8
81.07063	77.1
83.08613	12.9
90.73802	6.5
91.05483	22.5
92.41845	6.2
93.07040	48.0
95.08610	62.7
98.21477	11.6
105.07018	20.9
107.08601	19.8
109.10162	30.7
119.08562	13.3
121.10153	18.5
123.11709	7.2
131.08531	12.1
131.60530	6.0
133.10159	10.0
135.11670	9.7
159.11638	8.7
317.20834	11.4
335.22083	23.4
335.25818	100.0
336.08582	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02390	0.7
53.03945	2.6
55.01880	1.6
55.05261	1.4
55.05511	17.5
57.03185	1.1
57.03440	15.8
57.07067	2.0
59.04998	0.7
65.03933	3.6
67.05507	68.2
68.05849	0.9
69.03418	1.7
69.06719	1.4
69.07068	17.6
70.16250	3.2
71.04980	2.8
71.08628	1.0
79.05492	30.9
81.03415	0.9
81.07058	64.7
83.04961	3.6
83.08624	7.4
85.06517	2.6
87.43159	0.6
90.19135	0.7
91.05485	19.5
93.07048	48.9
95.04964	5.8
95.08607	55.7
96.08952	0.7
97.06531	4.6
97.10166	3.0
98.21447	1.0
99.08080	1.3
105.07033	21.2
107.08600	31.2
109.06503	3.0
109.10157	27.5
109.10921	1.3
110.10498	0.8
111.04439	4.9
111.08084	3.4
117.06995	5.1
119.08582	23.9
119.53003	0.7
120.08887	0.9
121.06506	2.2
121.10146	27.9
123.08073	3.4
123.11713	8.4
125.09619	3.6
129.05487	1.0
129.06978	1.6
131.08580	11.4
133.06488	1.3
133.10132	17.8
135.08022	2.1
135.11694	12.9
137.05930	1.3
137.09637	3.0
137.13246	3.3
139.07579	0.9
139.11177	1.5
142.07762	1.5
143.08542	3.4
144.09277	0.9
145.10136	13.5
147.08092	1.5
147.11681	8.6
149.09624	1.6
149.13287	6.0
151.11174	2.3
151.14818	0.8
153.09178	1.0
154.16330	0.8
155.08536	1.5
156.09280	1.3
157.10127	3.0
159.08124	0.9
159.11673	8.5
160.12154	0.9
161.09645	1.6
161.13257	6.9
163.11238	1.7
163.14832	3.9
169.10106	1.0
171.11684	3.7
173.09647	0.9
173.13274	8.2
175.11172	1.2
175.14798	3.0
177.16394	1.6
182.10950	0.8
183.11688	1.8
185.13280	1.7
187.11240	1.6
187.14787	3.7
189.12801	0.7
189.16377	1.4
191.10591	0.8
193.12331	0.8
195.11621	0.7
197.13243	2.4
199.14821	2.2
201.12842	0.7
201.16441	1.8
205.12132	0.9
211.14879	1.0
215.17923	1.4
229.19600	0.7
241.19595	0.8
243.13866	1.2
243.21091	3.5
245.15421	0.9
261.22104	6.6
271.20847	0.7
275.20160	1.5
281.19135	1.3
284.67474	0.7
293.14783	0.7
299.20096	6.3
300.20444	1.2
317.21097	10.0
317.24850	3.4
318.21426	3.3
321.24445	1.1
335.22208	13.1
335.25809	100.0
336.22519	1.1
336.26096	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	1.5
55.01868	1.2
55.05515	13.7
55.05784	0.8
57.03438	16.5
57.07072	1.9
58.06447	0.4
65.03934	1.7
67.05504	58.7
69.03466	0.6
69.07068	12.1
70.75394	1.2
71.05009	1.2
77.03898	0.4
78.04704	0.5
79.05494	28.0
81.07056	56.2
82.07384	1.0
83.04960	2.1
83.08618	6.0
85.06528	1.6
91.05480	15.0
93.07043	35.3
94.07396	0.5
95.04968	3.2
95.08607	45.3
96.08932	1.0
97.06520	2.3
97.10169	1.7
99.08063	0.5
103.03984	0.4
105.04481	0.7
105.07029	11.2
107.07861	0.7
107.08595	18.8
109.06527	1.4
109.10156	19.4
109.49117	0.4
110.10486	0.6
111.08079	1.2
113.09686	0.4
117.07024	3.9
119.08579	9.8
121.10140	14.5
123.08038	1.0
123.11703	7.1
131.08572	6.8
133.10130	8.0
134.57629	0.4
135.08057	0.9
135.11691	10.4
137.09599	0.9
137.13220	2.1
145.10106	4.9
147.11694	6.0
149.13255	6.4
151.11142	0.9
157.10143	0.5
159.11691	3.6
159.37900	0.5
161.13251	4.1
163.11143	0.5
163.14850	3.1
165.12733	0.9
165.63988	0.4
170.10507	0.4
171.11734	0.6
173.13251	4.9
175.14851	1.7
177.12801	0.6
177.16418	0.8
179.14250	0.8
185.13264	0.4
187.14838	1.9
191.14249	0.8
199.14702	0.5
201.16379	1.1
217.19440	0.5
243.21091	4.4
261.22144	6.3
274.32944	0.4
279.23178	1.0
291.23068	0.5
299.19800	0.5
317.21277	0.8
317.24417	2.8
335.25790	100.0
336.26205	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02372	0.7
53.03924	1.8
55.01857	1.6
55.05513	11.4
57.03437	13.8
57.07074	1.4
65.03918	1.6
67.05505	51.1
69.07068	10.6
70.09527	1.2
70.09914	1.5
70.52784	0.5
71.04982	1.3
79.05492	26.0
81.07056	52.1
83.04964	1.0
83.08623	4.8
85.06538	1.4
89.03880	0.5
91.05479	13.3
93.07043	28.6
95.04958	3.8
95.08606	43.4
97.06519	1.9
97.10194	2.9
98.21451	0.6
99.08109	0.9
105.07037	10.1
107.08589	16.5
109.06489	1.1
109.10159	17.4
111.08085	1.5
117.07002	3.2
119.08567	6.8
121.10146	15.1
123.08089	0.8
123.11705	7.7
125.09650	0.6
126.56879	0.6
129.05476	1.3
131.08562	6.7
133.10138	6.6
135.11696	9.7
137.13271	1.8
145.10162	4.9
147.11679	3.4
149.13269	6.2
151.11205	0.7
159.11710	3.7
161.13286	3.7
163.14801	2.0
173.13272	3.8
175.14827	1.2
177.12772	0.8
187.14851	2.1
201.16379	0.7
230.18268	0.6
243.21152	4.3
261.22141	6.8
279.23224	0.9
317.24713	2.3
335.25803	100.0
336.26071	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.29083	0.7
53.03922	2.6
54.58349	0.8
55.01852	1.4
55.05512	16.5
57.03439	18.0
57.07057	2.1
59.22134	0.8
65.03919	2.1
67.05505	62.1
69.03446	1.2
69.07074	17.6
70.16158	2.4
71.04979	1.9
71.08598	0.8
79.05497	31.1
79.05957	1.5
81.07059	61.4
83.04947	1.9
83.08612	7.9
85.06526	2.2
89.12837	0.9
91.05482	17.8
93.07043	39.6
95.04977	3.6
95.08606	51.3
97.02862	1.1
97.06516	4.3
97.10134	3.2
99.08086	0.9
105.06376	1.2
105.07034	14.5
107.08592	26.5
108.08896	0.9
109.06497	2.6
109.10158	23.7
111.04424	3.1
111.08051	2.0
111.11664	0.8
117.07008	4.5
119.08580	18.3
121.06482	1.3
121.09325	1.4
121.10144	19.4
123.08052	1.9
123.11706	9.5
129.06970	1.2
131.08546	7.7
133.10123	11.5
134.10518	0.9
135.08005	2.1
135.11684	14.0
137.09578	2.7
137.13214	2.7
143.08524	1.6
145.10127	7.5
147.11656	7.7
149.13246	6.4
151.11105	1.2
155.08588	1.1
157.10112	1.7
159.11679	8.5
161.09579	0.8
161.13260	5.6
163.11115	1.7
163.14772	2.5
165.09120	0.9
169.10097	0.8
171.11642	2.3
173.13283	4.7
175.14810	2.8
175.16327	0.7
177.12717	1.1
177.16357	1.0
183.11647	0.9
187.14757	2.9
189.16455	1.0
197.13283	1.4
197.35013	0.7
199.14743	1.2
201.12735	0.9
201.16348	1.7
239.18047	1.0
243.21075	3.4
257.19012	1.0
261.22153	6.2
275.19974	0.9
277.89603	0.9
279.23254	1.0
299.20108	4.4
299.23090	1.2
317.21066	12.2
317.24756	3.6
318.21509	1.9
335.22125	17.5
335.25769	100.0
336.22504	1.0
336.26123	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
55.05262	1.1
55.05508	14.1
57.03435	15.6
57.07061	1.6
57.38263	0.6
59.38388	0.6
65.03925	2.2
67.05501	56.9
69.06727	1.0
69.07065	12.7
70.07767	1.9
70.08186	1.6
71.04986	1.2
73.16608	0.7
74.20400	0.6
75.28696	0.7
79.05489	28.6
81.07053	53.7
83.04960	1.5
83.08612	5.8
84.25023	0.7
85.06525	1.2
91.05470	14.7
92.97603	0.7
93.07039	33.2
95.04951	3.4
95.08601	41.5
96.51642	0.7
97.06504	1.6
97.10159	1.7
98.98498	0.8
99.08065	1.0
105.07017	9.3
107.08591	16.6
109.06512	1.8
109.09450	1.3
109.10148	14.8
110.10442	0.8
111.08053	1.4
114.02397	0.7
117.06998	3.0
118.05899	0.6
119.08577	7.9
121.10136	13.5
123.08052	0.9
123.11697	5.4
129.05435	0.7
131.08556	5.2
133.10136	6.6
135.11688	9.1
137.13231	1.9
138.46497	0.6
145.10118	4.1
147.11623	2.8
149.13252	3.0
151.11165	0.9
159.11684	3.7
161.13231	3.1
163.11226	1.1
163.14839	1.2
172.12386	0.8
173.13229	2.3
175.14854	1.3
179.05200	0.7
187.14775	1.3
205.15863	0.8
219.17529	0.7
243.21060	1.7
261.22079	3.3
291.23172	0.7
299.20200	1.0
302.38956	0.7
317.20956	1.1
317.24716	0.8
335.25772	100.0
336.26080	2.8
350.94507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00835	5.4
55.05502	17.5
57.03420	13.5
57.07052	9.7
58.27858	6.8
60.04531	100.0
67.05499	43.3
67.75521	5.5
69.07056	20.9
70.48758	5.8
70.84589	6.0
70.94434	6.2
71.58422	10.8
78.65096	6.4
79.05492	17.7
81.07065	40.6
83.08636	7.7
85.48833	5.5
91.05472	11.6
93.07030	24.0
95.08611	39.0
98.21098	9.0
98.34626	6.3
105.07036	20.5
107.08580	28.8
109.10137	25.8
119.08576	17.6
121.10113	16.8
123.11709	8.3
131.08543	16.1
132.09288	7.1
133.10114	17.7
135.11662	17.3
145.10104	8.9
147.11687	19.0
148.00868	6.0
159.11763	11.4
173.13292	8.6
199.14853	9.9
203.17999	20.7
217.15929	9.2
220.18248	6.9
221.15472	6.7
272.92215	6.5
276.19614	20.6
311.20862	6.1
317.21115	11.1
325.90698	6.5
335.22452	23.9
335.25845	83.0
335.29730	7.9
335.31439	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	335.2215
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
55.05517	27.9
56.60546	4.8
56.96569	8.7
57.03433	5.9
63.17440	4.2
63.21832	4.1
67.05502	56.6
69.03419	7.2
69.07067	29.5
70.93639	15.7
71.04980	4.3
72.07106	4.5
79.05485	24.0
81.03401	9.2
81.07054	57.5
83.04995	25.3
83.08620	13.4
85.06538	8.9
90.43150	5.0
91.05487	34.8
93.07050	57.1
95.04972	14.2
95.08614	74.5
95.09183	9.8
97.02897	7.6
97.06524	17.9
99.08114	7.8
105.07038	50.9
107.08598	70.1
109.06516	4.6
109.10172	51.8
111.04442	10.5
111.08063	15.6
111.11686	5.1
117.07040	10.6
119.08587	100.0
121.06509	13.2
121.10155	51.5
123.08081	16.7
123.11700	21.8
125.05933	9.2
131.08589	30.2
133.10132	63.6
135.08067	20.9
135.11700	28.7
137.06012	5.1
137.09624	88.7
137.13184	5.7
142.07747	6.6
143.08580	17.3
145.10126	44.9
147.08017	5.4
147.11714	47.2
149.13249	25.7
151.11179	7.9
155.08563	6.3
157.10150	25.1
158.10817	5.3
159.11699	42.3
161.09557	10.1
161.13258	21.4
163.11195	9.8
163.14830	12.1
165.12782	5.1
169.10167	12.1
171.11670	20.2
173.13310	23.3
175.14842	22.0
177.12621	7.2
177.16409	7.5
183.11664	15.0
185.13271	15.4
187.11250	9.5
187.14832	16.1
189.12775	9.2
189.16286	9.1
193.08627	6.3
193.59763	5.0
197.09372	7.2
197.13275	13.9
199.11111	5.4
199.14857	10.3
201.16422	18.5
205.12128	5.6
205.15904	8.8
211.14806	6.1
213.12482	5.9
215.14268	6.4
219.13794	5.6
227.17877	5.4
229.12231	9.0
229.19496	6.3
239.17941	7.6
241.19397	5.4
243.13824	9.1
253.19682	13.5
257.18942	12.0
259.16873	6.1
271.20532	17.9
275.20120	11.3
281.18997	15.0
299.20084	53.9
301.21713	9.9
317.21121	83.3
318.21487	7.1
335.12650	5.9
335.22083	76.9
335.25851	15.8
336.13754	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	335.2219
Annotation	Prostaglandin B2
Peak:m/z	Relative Intensity
55.01880	8.2
55.05509	16.9
57.03439	5.0
57.07077	6.9
59.04996	3.3
62.99628	2.6
65.03933	7.1
66.78731	2.5
67.05508	32.7
69.03431	23.4
69.07072	30.9
70.06592	5.1
71.04983	8.0
71.58914	5.6
72.08150	8.5
79.05497	25.1
81.03418	8.0
81.07066	40.4
83.04989	22.9
83.08614	14.0
84.08128	4.1
84.50286	3.2
85.02908	18.5
85.06537	18.2
86.09699	4.8
91.05485	33.7
93.07045	41.7
95.04979	12.2
95.08618	49.8
96.08940	3.8
97.02901	24.3
97.06531	11.1
97.10153	6.8
98.97641	2.9
99.04472	4.8
99.08095	7.2
103.05483	2.8
105.07041	41.8
107.04971	6.4
107.08603	58.7
109.02895	4.3
109.06532	14.1
109.10168	39.6
111.00773	3.0
111.04476	14.3
111.08111	14.6
113.09683	4.3
115.04016	3.5
117.07024	9.6
119.04949	8.3
119.08594	65.9
120.08135	35.7
120.08916	6.9
121.02874	6.9
121.06543	16.1
121.10143	43.8
123.04466	3.3
123.08090	10.3
123.11717	13.0
124.07635	4.3
125.06035	7.1
125.09612	5.6
127.03917	5.8
127.07553	5.8
127.11166	4.8
129.06996	6.3
131.08557	20.6
133.06541	5.2
133.10132	53.6
134.10472	3.5
135.08076	23.2
135.09056	3.9
135.11714	23.8
137.05984	6.4
137.09628	48.1
137.13229	3.5
139.03922	6.9
139.07523	4.5
139.11139	3.1
141.07010	3.6
143.03383	3.3
143.08571	11.2
143.11823	4.2
145.06485	6.4
145.10156	28.8
147.04420	25.2
147.08052	11.6
147.11681	29.1
148.12122	2.8
149.09627	9.3
149.13264	18.7
150.05566	4.5
151.07539	4.5
151.11203	11.6
153.09163	6.1
153.12794	5.1
155.08623	3.9
156.09363	7.5
157.10159	16.8
158.10840	5.7
159.08069	5.6
159.11710	29.9
161.09651	8.3
161.13239	19.6
163.03946	7.8
163.07559	4.7
163.11220	7.2
163.14815	8.9
165.09177	3.4
169.10159	10.9
171.11736	27.4
173.09700	7.4
173.13225	25.2
175.07588	3.3
175.11237	10.9
175.14848	8.1
177.05615	3.8
177.09097	4.9
177.12733	4.2
177.16405	6.9
179.10767	8.3
183.11719	9.5
185.13284	12.7
187.11176	12.5
187.14816	11.9
189.09016	3.2
189.12723	7.7
189.16425	5.2
191.11989	4.5
191.14365	11.1
193.08592	4.6
193.12268	4.9
197.13312	10.2
199.14871	8.2
201.12791	4.0
201.16360	7.5
203.10695	5.1
203.14363	6.7
205.12238	5.6
205.15877	7.4
211.11166	3.5
211.14876	7.5
213.10419	3.9
213.12700	7.2
213.16403	6.0
215.10515	3.6
215.14326	7.7
215.17776	3.8
219.11337	6.5
219.13820	2.7
225.12859	5.5
226.07359	4.1
227.14310	5.8
229.12247	8.3
229.16014	3.2
231.28242	3.3
233.15393	6.3
239.17978	6.5
241.09822	5.0
243.13774	6.8
247.17068	3.8
253.19579	9.4
257.18988	10.0
259.16980	5.6
263.69296	3.2
271.10864	9.7
271.16846	3.1
271.20618	9.4
275.20111	9.8
281.18967	8.3
287.10287	55.4
288.10361	2.9
289.21707	6.4
299.10165	14.0
299.16696	3.2
299.20074	52.2
300.20526	4.2
317.11368	45.0
317.17929	3.7
317.21146	100.0
318.11743	4.4
318.21475	9.2
335.12415	10.5
335.18570	21.7
335.22238	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2216
Annotation	15-deoxy-PGD2
Peak:m/z	Relative Intensity
55.01856	7.4
55.05502	21.4
57.03427	6.7
57.07067	4.4
65.03932	6.4
67.05502	50.5
69.03423	24.6
69.07082	28.1
70.06586	59.4
70.77391	7.9
71.04985	9.6
75.05594	11.5
79.05503	29.5
81.03426	5.7
81.07063	51.7
83.04987	12.1
83.08598	19.9
85.02907	16.9
85.06550	12.8
86.09697	46.4
91.05473	42.3
93.07042	50.6
95.04984	18.5
95.08600	64.5
97.02901	20.6
97.06543	10.0
97.10168	7.5
98.50822	4.0
99.08083	30.1
105.07030	69.6
107.04956	5.3
107.08593	100.0
109.02859	8.1
109.06502	14.8
109.10151	48.2
111.04437	22.6
111.08079	17.2
112.07639	6.9
116.07078	9.2
117.07024	11.4
119.08579	81.5
120.08118	26.5
120.08810	4.0
121.06491	9.7
121.10144	39.6
123.08044	16.0
123.11707	16.8
125.05997	8.0
125.09627	11.2
127.03911	7.7
129.07005	7.7
130.06511	12.5
131.04988	3.7
131.08574	30.4
132.33438	4.3
133.06473	7.3
133.10110	48.1
135.08040	12.2
135.11664	20.1
136.06178	4.0
137.05962	25.1
137.09587	13.9
139.07559	10.0
143.08559	13.2
143.11790	53.0
145.10121	37.5
146.06047	4.9
147.08086	11.6
147.11671	43.8
149.05890	4.7
149.09628	13.1
149.13269	8.9
151.07532	5.8
151.11183	14.4
153.09140	5.3
155.08542	5.5
156.09329	4.1
157.10124	18.8
159.08054	10.0
159.11719	31.3
161.09625	13.9
161.13234	17.8
163.11169	4.6
165.09091	6.3
165.12752	9.9
166.08644	17.2
167.08614	4.3
167.10643	4.3
169.10193	6.1
171.11557	22.7
173.09610	9.8
173.13229	12.6
175.11189	11.9
175.14828	6.7
177.09073	7.7
177.12750	4.6
183.11781	7.8
185.09634	5.2
185.13287	10.6
187.11214	11.1
187.14854	8.9
189.12672	5.4
189.16336	6.4
191.10675	11.5
193.12259	13.4
195.11810	7.5
197.13297	14.4
198.32903	4.3
201.12814	7.1
201.16408	11.4
205.12198	8.9
211.11128	4.6
213.12726	7.3
213.16382	5.6
215.17909	5.5
217.12187	8.4
225.12820	5.9
227.14310	4.6
229.19579	8.7
231.13838	5.5
239.17990	9.9
241.15755	4.4
243.13878	8.8
253.19418	7.6
257.19028	12.6
259.17059	7.8
271.20523	9.8
273.18381	5.5
275.20068	17.6
281.19028	9.5
289.21671	8.3
299.20050	54.3
317.21103	88.7
318.21481	7.7
335.15475	6.8
335.22162	51.3
336.12665	6.6
336.22028	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	335.2213
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
53.03952	2.6
53.13897	2.6
53.38000	2.8
55.01865	3.6
55.05516	23.2
57.03436	19.2
57.07063	4.1
63.10648	2.6
65.03943	3.5
67.05505	87.0
67.12455	2.7
68.05843	3.3
69.03419	3.7
69.07072	28.4
69.41452	19.1
69.41875	8.5
71.04998	5.4
71.10258	3.0
79.05492	42.0
81.07055	75.7
83.04987	3.5
83.08646	16.8
83.09063	2.4
85.06557	3.9
91.05466	28.4
93.07047	52.2
95.04979	8.9
95.08611	90.3
97.06526	8.0
97.10159	6.9
105.07021	34.1
107.08587	42.3
109.06531	8.2
109.10165	49.6
109.21769	3.0
111.04448	12.5
111.08081	8.7
117.07014	7.0
119.08581	50.5
120.08992	4.0
121.10135	37.1
123.08098	7.9
123.11703	17.6
125.09617	7.3
126.82440	3.0
129.06982	5.6
131.08569	11.9
133.06523	3.7
133.10141	24.0
135.08046	5.9
135.11732	20.0
137.09622	8.7
137.13254	4.3
139.07500	3.6
143.08542	3.7
143.41969	3.2
145.10112	17.5
147.08052	3.4
147.11684	22.9
149.09636	5.4
149.13301	10.2
151.11180	5.6
156.09399	3.8
157.10150	10.9
159.11707	20.0
161.13266	10.4
163.14853	3.7
165.09137	4.5
165.12773	5.9
171.11699	8.3
173.13260	12.3
179.10756	3.7
185.13278	5.3
187.14742	4.7
197.13298	5.7
201.12766	3.6
201.16309	4.2
205.12292	3.3
218.85538	2.8
225.12871	3.8
233.15373	5.5
239.22789	3.5
243.13747	6.0
243.21091	4.5
257.18781	5.4
261.22061	8.0
271.20538	4.0
281.19012	5.0
282.20428	3.3
285.01160	3.0
289.21375	4.8
299.20062	27.4
300.20425	4.1
317.21118	53.9
318.21384	6.9
335.22098	68.7
335.25861	100.0
336.22565	5.6
336.26218	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	335.2216
Annotation	Hartwrightia acid
Peak:m/z	Relative Intensity
67.05505	26.5
69.07048	27.6
79.05497	24.1
81.07073	46.1
85.76490	14.0
95.08632	33.1
105.07057	21.7
107.08598	30.2
109.10154	35.4
119.08607	47.1
120.08931	25.9
122.52821	15.4
132.25493	18.0
236.47774	15.8
300.20523	22.0
318.21484	100.0
335.25806	30.7
336.18390	43.6
336.22278	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	335.2214
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
53.03949	3.7
54.18105	3.2
55.05508	17.6
57.03436	7.5
63.99623	4.4
67.05510	42.7
69.07062	12.1
69.31421	41.6
71.05013	5.0
71.40065	4.5
74.10374	3.7
77.97192	3.8
79.05500	12.7
81.07044	40.4
83.08625	6.8
85.06541	5.4
89.42231	3.8
91.05482	21.6
93.06043	4.0
93.07035	37.8
95.04969	6.2
95.08610	46.6
97.02883	6.9
97.06524	9.8
105.07026	31.6
107.08587	44.1
109.06503	4.5
109.10157	47.3
111.04466	15.2
111.08073	12.4
117.07021	8.7
119.08580	67.8
121.06499	7.6
121.10126	28.6
123.08114	8.8
123.11730	10.6
125.09602	7.3
126.18619	3.5
131.08577	12.6
133.10138	35.5
135.08038	10.5
135.11722	9.0
137.09628	16.5
139.07527	3.6
143.08554	8.5
145.10147	23.1
147.08032	5.7
147.11693	39.9
149.09560	4.0
149.13322	4.4
151.11169	9.8
153.09007	5.9
154.38037	3.6
157.10120	5.3
159.11696	18.9
161.09662	9.5
161.13278	4.7
163.11180	5.8
165.09137	6.6
165.12842	8.1
169.10118	4.1
171.11713	8.3
173.13272	9.2
175.11214	4.1
179.10680	9.5
183.11617	3.9
185.13269	6.9
187.11272	6.3
187.14792	6.3
189.12727	4.1
197.13196	6.1
215.14267	5.4
217.86481	3.7
239.18129	4.4
243.13794	5.4
245.15453	6.8
253.19577	7.0
257.19061	10.1
275.20123	9.0
281.19092	13.2
289.21350	5.3
299.20074	48.9
317.21115	92.4
317.24625	7.5
318.21136	5.8
335.22168	100.0
335.25763	11.2
336.22498	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	335.2217
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
55.01870	7.1
55.05519	15.7
57.03419	2.8
60.02492	2.4
66.98971	3.0
67.05511	34.0
69.03418	7.7
69.07064	22.5
69.33150	7.0
69.33572	23.3
71.04997	4.7
79.05488	15.3
81.03427	5.9
81.07064	37.9
83.04995	14.7
83.08617	9.6
84.04499	11.7
85.02906	7.7
91.05496	17.7
93.07047	25.1
95.04961	8.3
95.08611	60.0
97.02914	11.6
97.06532	5.5
97.10109	4.2
105.07028	24.4
107.05006	4.8
107.08596	36.6
109.02905	8.3
109.06506	5.7
109.10160	52.8
111.04443	36.3
111.08083	7.1
117.07017	4.3
119.08591	49.4
121.06491	13.4
121.10140	24.1
123.08078	6.8
123.11710	14.7
125.05985	4.7
125.09645	3.4
126.05512	15.2
127.03915	4.9
131.08572	13.1
133.10124	22.7
135.08067	10.3
135.11702	11.8
137.05998	6.4
137.09616	24.6
137.13277	10.6
138.05505	12.0
139.07509	4.5
142.07800	3.9
143.08582	7.7
145.10129	24.9
147.08035	7.0
147.11681	15.4
149.09625	5.5
149.13266	9.6
151.11201	7.8
155.08609	3.4
157.10132	10.9
159.08083	6.3
159.11736	20.6
161.09659	6.2
161.13278	15.0
163.03920	2.8
163.11148	13.4
163.14841	7.9
165.09138	4.3
168.06529	3.9
169.10144	5.4
171.11737	8.9
173.09656	4.8
173.13254	14.9
175.11111	3.1
175.14813	8.0
177.12663	3.1
177.16428	4.0
178.76390	2.7
179.10683	3.1
183.11646	5.3
185.13295	7.4
187.11206	3.7
187.14816	10.6
189.09196	4.3
189.12831	5.0
189.16437	6.8
191.14368	3.8
197.13289	9.0
199.14864	7.9
201.12790	5.7
201.16356	7.7
203.10721	5.4
204.08719	13.7
204.39209	2.7
205.15912	9.4
207.10182	3.3
207.17503	7.1
211.11159	3.5
211.14841	4.5
213.16403	3.5
215.10742	3.1
215.14386	5.0
217.12318	5.4
219.13754	5.5
229.12265	7.5
229.15851	4.4
229.19505	3.4
231.13916	2.8
233.15379	4.3
235.13403	3.5
239.17972	6.4
243.13795	6.9
243.21104	4.5
247.13422	7.6
253.19487	8.4
255.17795	3.8
257.19000	5.3
261.14920	4.8
271.17624	2.7
271.20569	17.4
275.19913	5.4
281.19067	8.0
289.21719	9.4
299.20044	53.3
317.21158	100.0
318.21500	7.0
335.22202	96.3
335.26694	5.7
336.13013	5.5
347.91983	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2215
Annotation	Prostaglandin B2
Peak:m/z	Relative Intensity
53.03930	0.6
55.01870	0.5
55.05504	3.7
57.07066	0.9
62.71931	0.4
67.05505	4.9
69.03434	3.3
69.07064	4.9
69.57284	3.9
71.04988	0.7
79.05483	5.3
81.03407	0.9
81.07062	8.5
83.04980	3.5
83.08608	1.8
84.04501	1.3
85.02895	0.9
85.06541	0.8
87.05723	0.5
91.05470	7.6
93.07040	9.5
95.04959	3.6
95.08615	7.1
97.02876	2.1
97.06519	1.8
97.10141	1.2
98.20714	0.6
98.66611	0.5
99.08090	37.3
105.07024	14.1
106.07404	0.5
107.04942	1.4
107.08594	16.4
108.29791	0.5
109.02882	1.5
109.06512	2.5
109.10155	3.9
111.04430	2.9
111.08074	1.6
113.05981	0.6
114.05509	0.6
117.06958	1.0
119.04904	0.9
119.08578	11.2
121.06544	1.4
121.10144	13.4
122.77184	0.5
123.04461	0.8
123.08060	3.0
123.11688	1.0
123.44395	0.5
125.05997	2.2
125.09628	100.0
126.05495	2.0
126.09969	2.7
131.08551	2.3
133.06516	1.8
133.10123	9.1
135.08002	1.0
135.11656	1.6
137.05968	1.8
137.09601	2.2
138.05499	2.2
139.07529	1.0
139.11223	0.6
142.07741	0.5
145.10123	1.9
147.08064	1.5
147.11678	9.2
148.12024	0.6
149.09576	4.3
149.13254	1.9
151.07559	2.3
151.11174	2.6
156.61430	0.5
157.10138	0.9
159.11732	1.2
161.09590	0.9
161.13258	1.1
163.03889	4.4
163.11215	1.5
165.09137	1.6
165.12796	3.0
167.10667	0.9
172.18700	0.5
173.13255	1.0
174.13928	0.5
175.11165	4.3
181.12225	1.4
187.14743	0.5
189.16496	0.6
193.12233	12.0
197.13306	0.8
199.14667	0.6
201.16417	0.5
204.08705	1.6
211.13266	6.0
257.19150	0.7
271.20541	1.8
289.21713	3.3
299.17053	0.5
299.19986	3.1
317.20984	4.7
335.22107	5.9
336.10669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2215
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
53.03067	2.0
53.03949	1.9
54.26192	2.1
55.05515	15.4
55.41194	2.1
57.03426	4.0
57.07077	3.5
58.44702	1.8
61.02943	2.8
64.45733	1.9
65.03913	6.9
67.05236	1.9
67.05509	20.5
69.03426	19.5
69.07070	15.9
70.06578	12.8
71.04974	3.9
71.08628	6.6
71.16422	3.7
72.42973	1.8
75.26524	1.7
76.73842	1.9
79.05492	13.1
81.03396	9.4
81.07062	23.0
83.04979	6.4
83.08604	4.8
84.53368	2.0
85.02915	11.6
85.06512	5.1
87.00832	4.0
91.05491	14.6
93.07040	17.7
95.04958	8.6
95.08599	53.1
97.02879	7.6
97.06514	4.2
97.10158	5.7
99.04427	2.8
99.08090	100.0
101.44385	1.9
105.07034	28.6
107.04948	3.2
107.08583	28.9
109.02872	16.3
109.06502	6.6
109.10168	15.2
110.03186	2.4
111.04440	19.3
111.08109	4.8
111.11738	2.3
112.04745	2.1
113.09619	5.1
117.07005	6.0
119.04948	3.1
119.08580	35.3
120.08924	2.2
121.02863	2.1
121.06520	5.0
121.10130	21.4
123.08044	11.3
123.11729	5.4
124.36721	2.0
125.05984	6.2
125.09623	69.1
127.03916	28.4
129.01802	2.1
129.07007	4.2
131.08557	7.6
133.06482	5.5
133.10124	24.2
135.08061	6.8
135.11685	6.2
137.05946	3.9
137.09605	5.7
139.03896	74.9
139.07539	2.5
140.16277	2.0
141.05420	2.4
142.07799	3.0
143.08556	8.3
145.06453	3.9
145.10133	14.9
147.08063	4.3
147.11667	19.8
149.05904	3.0
149.09608	5.1
149.13275	5.7
151.07590	2.9
151.11211	2.8
153.05463	8.9
155.08580	3.2
157.10117	8.8
159.08060	4.9
159.11700	13.3
161.09613	5.4
161.13261	7.2
163.11211	3.4
165.09085	2.9
165.12706	5.0
167.06998	2.6
169.10170	4.3
171.11668	9.2
173.09650	5.0
173.13228	7.2
175.07358	2.6
175.11166	11.9
175.14818	4.7
177.12709	2.1
177.16237	2.6
181.12100	2.0
183.11674	4.5
185.09634	4.3
185.13258	7.6
187.11102	4.4
187.14891	3.7
189.09113	5.4
189.12741	7.0
191.10699	2.8
191.14349	2.1
193.08656	2.7
193.12260	9.3
195.17418	4.8
197.13313	5.0
199.14801	4.8
201.12802	4.4
203.10680	6.6
203.14342	3.5
205.12238	3.9
207.10013	2.5
211.13220	4.8
211.15027	2.7
213.16319	3.2
215.14264	2.8
217.12241	7.0
219.13818	5.0
221.11734	4.3
221.15155	2.2
227.14276	4.5
227.17903	2.8
229.12160	3.5
231.06609	2.7
231.13841	5.4
235.13251	7.8
239.17958	4.5
243.13879	3.0
243.17624	2.1
245.15271	3.8
247.13281	7.9
261.14822	3.3
271.20425	4.7
281.18692	2.4
289.21341	5.6
299.20044	17.2
317.21094	34.8
318.21234	2.7
335.13162	2.4
335.18076	3.8
335.22150	66.9
336.22668	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55335	0.8
55.01877	1.8
55.05500	3.9
57.05410	1.0
57.07077	1.9
61.79869	1.0
67.05499	3.1
69.03425	3.4
69.07047	4.4
70.06583	1.7
71.05811	3.1
79.05486	6.2
81.03419	1.8
81.07055	10.9
83.04967	3.7
83.08611	1.9
88.85902	1.0
91.05489	7.7
93.07053	10.3
95.04970	2.6
95.08595	10.2
96.04491	0.9
97.02880	3.7
97.06504	2.3
97.10166	2.0
99.08092	39.6
100.08437	1.0
101.24860	1.0
105.07037	13.4
107.04953	1.2
107.08592	19.8
109.02892	2.7
109.06516	2.5
109.10168	4.5
111.04446	2.0
111.08087	1.8
114.05499	2.2
119.08563	13.0
121.06488	1.3
121.10155	12.2
123.08057	3.6
123.11718	1.6
125.06015	1.8
125.09628	100.0
126.09973	2.2
127.03911	1.1
131.08577	2.3
133.06476	1.9
133.10133	8.0
135.04378	2.1
135.08044	5.4
135.11699	2.3
137.05966	1.3
137.09622	2.2
138.05516	1.5
139.07477	1.1
143.08505	1.0
145.02869	2.5
145.06476	1.2
145.10123	3.2
147.08012	1.5
147.11691	10.1
149.09589	4.3
149.13278	2.1
150.12920	1.1
151.07523	1.0
151.11197	3.6
157.10138	2.2
159.11678	2.4
161.09579	1.1
163.03912	10.1
165.09067	1.6
165.12772	4.0
167.10747	1.1
175.11201	3.6
175.14799	0.9
181.10123	1.0
181.12178	1.2
187.14862	1.0
193.12242	11.9
203.42293	0.9
211.13152	5.4
281.19003	1.0
299.20026	3.3
317.21109	4.7
335.09024	2.3
335.21777	5.4
336.10663	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	335.2216
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
51.82156	5.7
54.60316	5.1
55.05494	15.8
59.06113	21.0
60.04503	5.6
61.46169	4.6
66.19046	4.9
67.05504	32.1
69.07050	21.7
69.46165	33.6
69.46572	7.9
70.06575	15.2
71.04995	7.7
72.08147	6.1
79.05492	19.6
79.22834	4.8
81.03436	8.2
81.07064	45.9
83.08624	5.5
84.05482	4.4
85.06532	12.4
85.07634	5.6
86.09694	13.3
89.03932	6.4
91.05476	36.1
93.07056	54.2
95.04974	8.4
95.08620	40.0
97.02882	11.8
97.06531	14.1
99.08091	100.0
101.07134	41.2
103.05471	9.3
105.07034	53.2
107.08600	82.7
109.02877	16.0
109.06484	14.3
109.10158	37.2
111.04422	13.1
111.08088	11.7
117.03352	10.6
117.06992	9.2
119.08575	66.2
120.08115	94.3
121.06505	6.8
121.10160	40.8
123.08044	7.8
123.11723	11.8
125.05971	5.6
125.09612	13.2
127.03899	30.6
129.06982	7.1
131.08571	15.8
133.06479	6.6
133.10132	37.5
135.04480	5.6
135.08165	7.7
135.11674	18.1
136.07610	5.7
137.05948	6.0
137.09583	11.1
137.13234	6.8
139.07494	6.0
141.64348	5.3
142.07715	6.8
143.08594	7.0
145.02859	21.6
145.10167	24.8
147.08011	9.8
147.11676	35.3
151.07594	5.6
152.12534	6.1
157.10094	14.3
159.11687	16.2
161.13234	7.9
163.03870	12.5
164.07054	13.1
165.09048	7.2
166.08624	25.0
171.11691	10.3
173.13274	12.7
175.11150	11.5
175.14832	5.6
177.05493	38.1
182.08057	9.5
183.11705	7.8
185.02905	9.0
187.14909	6.2
191.10605	5.3
193.12242	18.9
197.13300	7.4
201.00812	25.8
201.02339	5.0
205.12250	8.4
209.11595	6.1
211.13268	12.3
219.01813	10.0
219.13580	6.2
219.98087	5.1
231.17574	7.7
262.95428	6.4
271.20624	8.5
286.44559	4.9
299.20065	19.6
300.20441	6.6
317.15048	5.3
317.21115	53.5
318.21625	6.6
335.18564	7.0
335.22153	35.5
336.14139	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	335.2215
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
51.04385	3.6
53.03941	4.0
54.10428	3.2
55.05510	19.7
55.35257	4.6
57.03449	6.3
57.07090	4.5
67.05503	44.0
69.03443	5.7
69.07081	20.4
69.58547	3.6
69.70081	20.7
71.05003	10.9
79.05486	27.0
81.07050	62.1
83.04984	8.8
83.08604	20.7
85.06545	14.5
88.07644	4.5
91.05482	26.4
93.07049	57.8
95.04967	10.7
95.08604	73.4
97.02895	5.6
97.06495	8.6
97.10149	5.7
99.08082	6.2
105.07028	54.0
107.08593	49.0
109.06513	7.8
109.10165	55.7
111.04445	32.8
111.08102	8.0
117.07036	9.4
119.08575	70.0
121.06526	8.5
121.10138	45.8
123.08071	12.8
123.11745	18.1
125.06006	6.9
131.08560	21.0
133.06461	4.5
133.10121	49.9
135.08057	11.0
135.11670	18.5
137.09605	10.4
139.07533	6.5
143.08553	10.1
145.10097	25.4
147.08057	6.8
147.11690	38.3
149.09621	6.3
149.13295	8.2
151.11191	17.4
157.10135	16.3
159.11734	24.4
161.09592	6.9
161.13234	22.2
163.07571	4.9
163.14842	8.0
165.09178	4.9
169.10152	9.5
171.11650	22.3
173.09596	6.7
173.13254	23.0
175.11243	7.4
175.14790	7.2
177.16310	4.0
181.10083	5.0
181.12247	3.9
183.11739	11.8
185.09520	6.0
185.13283	8.9
187.11147	9.5
187.14835	17.7
189.16393	13.5
193.12262	8.0
197.13336	6.1
199.11137	7.7
199.14825	8.8
201.12810	6.2
201.16423	10.0
203.14104	4.5
205.12383	10.7
205.16037	5.2
213.16371	5.7
215.14308	7.4
215.17940	7.9
217.12292	4.4
219.13817	4.2
225.12729	5.3
225.16391	3.9
229.19588	4.4
231.13799	6.4
233.15410	8.0
239.17802	4.0
241.15868	4.5
243.13931	9.1
243.21147	4.8
243.25146	7.4
247.13246	4.7
247.17007	6.4
257.19107	16.2
259.16977	5.3
261.18594	4.3
271.20551	5.1
273.18607	6.0
275.20004	20.0
281.19122	11.3
299.20071	52.7
317.21085	100.0
318.21429	7.4
335.22110	93.6
335.25818	24.2
335.29843	19.2
336.22699	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	335.2218
Annotation	Resolvin E2
Peak:m/z	Relative Intensity
51.40011	2.1
53.03942	3.4
55.01857	4.1
55.05511	23.7
57.03426	10.4
57.07067	5.0
65.03944	3.5
67.05178	2.5
67.05506	44.7
69.03424	15.3
69.07066	26.1
71.04980	7.8
71.11741	5.5
71.12103	2.9
75.52715	2.2
79.05487	31.1
81.03408	8.7
81.07059	57.7
83.04992	11.6
83.08617	24.2
85.02885	6.2
85.06549	16.6
87.04477	2.7
91.05485	31.4
93.07043	49.1
95.04974	12.0
95.08606	71.1
97.02882	13.0
97.06514	9.4
97.10161	10.4
98.97547	3.0
99.08090	6.7
101.05984	2.7
101.07154	2.9
103.05446	3.0
105.07032	69.5
106.07294	3.6
107.04945	7.4
107.08595	74.0
109.02893	22.0
109.06542	11.1
109.10160	67.3
109.10917	3.2
111.04450	30.1
111.08072	10.5
113.09632	3.2
116.98575	2.8
117.07038	15.2
119.04976	4.2
119.08576	84.7
120.08932	4.4
121.06525	14.4
121.10144	43.9
123.04495	2.8
123.08080	14.1
123.11708	16.8
123.23759	2.8
124.28207	2.2
125.05975	9.6
125.09635	13.8
127.07551	3.1
128.06279	3.7
129.07025	6.8
131.08577	22.6
133.06470	6.9
133.10133	60.7
134.10364	2.5
135.08046	17.2
135.11694	23.8
137.05902	3.7
137.09627	15.8
139.07526	7.4
142.07750	6.5
143.08540	14.9
145.06468	3.3
145.10124	40.1
146.10715	2.3
147.08075	14.6
147.11694	54.0
149.06036	3.1
149.09592	9.6
149.13249	8.9
151.11209	18.4
153.09114	6.8
155.08542	10.6
156.09315	6.6
157.10138	24.7
158.10789	3.5
159.08029	6.0
159.11684	37.2
161.09628	10.4
161.13258	23.0
163.07564	3.4
163.11150	7.7
163.14764	11.1
165.09154	8.3
165.12764	5.4
167.10658	2.5
169.10126	9.0
171.11674	23.7
173.09592	12.2
173.13254	19.9
174.07625	3.1
175.11205	11.2
175.14845	8.0
177.09122	4.9
177.12769	5.5
179.10681	7.2
181.10123	3.3
183.11653	15.1
184.12334	2.9
185.09634	5.6
185.13245	10.4
187.11179	16.5
187.14862	14.6
189.12680	4.4
189.16374	13.4
191.10643	7.4
193.12260	8.1
195.11690	5.1
197.13243	14.5
199.11148	4.0
199.14801	10.3
201.12737	8.6
201.16327	14.1
203.10675	8.6
203.14359	4.1
203.17874	2.8
205.12260	10.1
205.15909	4.7
207.13727	2.9
207.17590	3.0
209.13312	4.0
211.11211	2.6
211.14835	5.9
213.12769	5.6
213.16376	9.2
215.10654	3.7
215.14407	5.3
215.17960	8.6
217.12341	3.3
219.13806	9.4
225.12732	5.6
229.12206	6.5
229.15858	4.6
229.19473	5.7
231.13641	4.0
233.15337	7.7
239.17995	11.7
243.13773	13.1
243.17677	3.9
245.15392	8.1
247.13324	2.5
247.16931	5.4
253.19537	9.9
255.17516	3.5
257.15582	3.7
257.18994	18.2
259.16922	6.6
261.18335	3.8
271.20563	12.8
273.18399	6.9
275.17065	3.4
275.20035	21.6
281.18961	13.2
287.20013	3.2
289.21573	10.7
299.16641	4.1
299.20038	67.9
300.20447	7.6
317.21109	100.0
318.21478	6.5
335.09290	3.9
335.13318	4.4
335.18320	4.6
335.22095	62.9
336.12936	2.8
336.22516	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2219
Annotation	5,6-Epoxytetraene
Peak:m/z	Relative Intensity
53.03956	4.1
55.01873	3.4
55.05515	16.3
55.49923	2.5
57.03426	7.4
57.07058	3.7
59.04987	2.6
61.02913	10.9
65.03922	4.4
67.05502	30.8
69.03439	23.6
69.07069	21.7
69.52937	13.2
69.53363	9.1
71.04983	4.5
79.05484	14.6
81.03409	7.8
81.07063	37.6
83.04984	17.6
83.08605	7.3
85.02918	12.1
85.06524	3.4
87.04466	12.8
91.03929	4.2
91.05495	19.3
93.07043	33.4
94.48799	2.2
95.04969	26.2
95.08609	53.1
97.02902	14.7
97.06525	10.7
97.10150	4.7
99.07485	4.3
99.08098	66.4
105.06377	4.1
105.07030	44.2
107.04935	3.7
107.08601	38.9
109.02844	10.9
109.06491	9.5
109.10165	46.8
110.03244	2.6
111.04441	10.2
111.08046	7.6
111.22691	2.4
115.03915	10.4
117.07005	8.9
119.08583	45.4
121.06481	8.3
121.10147	31.1
123.08104	13.6
123.11694	11.1
125.05983	7.3
125.09604	7.4
131.08575	16.8
133.04971	5.8
133.06499	3.7
133.10146	33.5
135.08040	13.8
135.11697	15.0
137.05899	2.5
137.09589	5.4
139.03922	12.5
139.07515	3.4
142.07802	3.6
143.08563	11.6
144.30003	2.8
145.10133	33.4
147.08025	6.9
147.11702	29.1
149.09578	10.3
149.13278	9.3
151.07672	3.6
153.05482	3.4
155.08609	2.8
157.10100	20.8
159.06561	5.6
159.08017	3.6
159.11671	26.5
161.09624	10.6
161.13284	16.4
163.03865	2.7
163.11176	8.4
163.14806	7.2
165.09044	4.3
169.10104	8.7
171.11649	15.0
173.09613	7.2
173.13264	17.9
175.07545	3.3
175.11223	7.7
175.14815	13.3
177.09042	3.6
177.12726	4.9
183.11682	8.6
185.13240	7.7
187.11163	5.9
187.14798	15.4
189.09067	3.2
189.12810	4.1
189.16389	23.2
191.10681	3.6
191.14301	10.9
195.11694	4.1
197.13200	8.7
199.14806	5.8
201.12737	7.4
201.16374	26.3
203.10550	4.5
203.14304	9.1
203.17981	7.2
205.12260	3.1
211.14880	4.8
213.16367	11.0
215.14264	2.9
215.17941	11.8
219.13806	9.8
220.09459	3.8
227.17879	9.6
229.19427	3.1
239.17992	7.8
245.19078	11.9
253.19505	4.9
257.18924	10.0
269.19009	3.8
271.20508	9.3
275.20102	14.6
281.18909	5.9
287.20181	3.0
289.21667	21.1
299.20093	27.6
317.21133	100.0
318.21445	5.1
326.62341	2.5
335.22128	86.4
336.22632	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	335.2217
Annotation	Phomactin A
Peak:m/z	Relative Intensity
53.03939	1.0
55.01879	1.1
55.05511	4.3
57.03426	1.0
57.07069	1.3
63.65821	0.8
67.05508	11.8
69.03422	2.2
69.07070	7.6
69.81638	2.4
69.82076	2.9
71.04994	2.1
79.05489	7.0
81.03403	2.3
81.06648	1.1
81.07060	12.6
83.04964	2.6
83.08601	3.7
85.02872	1.1
85.06534	1.6
86.09721	7.1
87.05591	0.9
91.05482	7.9
93.07053	11.3
95.04966	7.8
95.08612	16.7
97.02883	2.3
97.06545	4.8
97.10120	1.1
99.08096	4.0
103.05434	1.3
105.07031	12.4
107.04938	1.9
107.08602	17.4
109.02869	6.5
109.06510	4.2
109.10163	17.7
111.04442	2.8
111.08067	5.1
117.06993	2.2
119.07794	1.4
119.08587	18.6
120.08102	2.8
121.06505	2.9
121.10143	13.7
123.04409	1.2
123.08033	5.4
123.11708	3.5
125.05967	1.1
125.09624	3.9
129.07018	1.3
131.04927	1.4
131.08565	4.0
132.10179	1.9
133.06502	1.6
133.09193	0.9
133.10130	14.6
135.08096	4.3
135.11684	5.5
137.05934	0.8
137.09625	5.6
139.03894	3.1
139.07516	1.6
143.08553	2.3
145.10117	8.8
147.04398	0.9
147.08092	2.7
147.11703	11.0
149.06009	0.9
149.09630	4.4
149.13217	1.0
151.11214	2.5
153.09119	1.3
155.08543	1.5
157.10179	4.0
159.08031	1.2
159.11725	6.6
161.09605	2.8
161.13191	4.6
163.07625	1.1
163.11185	3.3
163.14876	1.3
165.09184	0.9
165.12654	1.3
169.10078	1.4
171.11691	2.1
173.09604	2.5
173.13301	3.0
175.11215	0.8
175.14851	3.1
177.09044	1.0
177.12726	1.8
179.10709	1.4
181.12245	2.1
182.12451	0.8
183.11674	1.2
185.13312	1.3
187.07489	1.1
187.11285	2.0
187.14803	2.7
189.09026	1.0
189.12796	1.1
189.16399	1.6
191.14278	1.2
193.08525	1.4
193.12222	1.0
197.13228	1.6
199.14812	1.8
203.10657	1.0
203.14322	1.8
205.15858	1.7
211.11113	1.1
213.09004	1.1
213.16318	1.2
215.14328	1.2
216.84665	0.8
217.12270	1.2
217.15811	1.1
225.12660	1.0
227.14412	1.1
238.29797	1.0
239.17928	1.6
243.13747	1.4
245.08000	1.0
245.15381	1.6
271.20587	2.3
281.18930	2.1
289.21570	1.8
299.20087	11.9
317.21045	17.7
318.21561	1.2
335.22162	100.0
336.22372	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	335.2217
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
55.05511	8.5
56.77826	1.9
57.03435	5.5
57.07087	3.2
58.31036	1.9
61.27628	2.1
65.03944	2.0
67.05510	30.9
69.03423	3.9
69.07097	10.9
69.37893	21.9
69.38223	3.3
71.05012	3.0
74.60594	2.0
79.05493	14.3
81.07056	25.7
82.68415	2.0
83.04979	4.3
83.08617	9.0
85.06559	2.5
91.05490	14.7
93.07062	28.3
95.04967	7.4
95.08612	48.1
97.02901	3.8
97.06536	2.4
97.10229	4.9
105.07031	26.3
107.08604	37.7
109.06549	3.4
109.10154	30.9
111.04444	13.7
111.08089	4.6
117.07057	3.7
119.08582	44.6
121.06533	5.1
121.10152	31.5
123.08099	5.8
123.11741	10.6
123.92649	2.0
124.98258	1.9
125.05986	3.9
125.09649	5.3
129.07042	2.7
131.08568	9.3
133.10121	26.6
134.10495	2.8
135.08076	5.2
135.11711	12.7
137.05962	2.5
137.09642	7.3
139.11124	3.3
142.07796	2.5
143.08551	4.6
145.10149	14.4
147.11714	22.7
149.09602	2.2
149.13264	5.6
151.11232	4.8
152.34947	2.2
155.08580	2.5
157.10149	7.2
159.11717	15.7
161.09618	3.0
161.13240	9.5
163.14818	3.2
165.09132	3.5
165.12813	3.6
169.10144	4.9
171.11664	4.9
173.09671	2.7
173.13284	9.7
175.07587	3.6
175.14874	6.4
177.12738	2.6
183.11703	4.1
185.09631	2.4
185.13280	4.6
187.11230	2.9
187.14792	3.4
189.12729	3.4
189.16377	4.1
193.08588	2.4
196.66437	2.6
197.13278	3.4
199.11127	2.6
199.14871	3.5
201.12700	3.4
201.16472	3.9
205.12247	5.0
213.16359	3.1
215.18010	3.9
219.13899	2.5
226.49556	2.3
229.12270	2.3
243.13927	5.4
257.19073	5.0
259.56055	2.4
271.20499	3.7
275.20047	4.4
281.18866	5.5
299.20093	27.3
300.20432	3.6
317.21130	64.4
318.21536	9.2
335.22202	100.0
335.25833	13.4
336.22635	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2218
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
52.53327	1.2
53.03949	2.6
53.18771	1.4
54.53482	1.4
55.01873	1.7
55.05516	10.5
57.03432	3.1
57.07061	6.4
58.06586	1.7
65.03947	1.4
67.05180	1.4
67.05513	20.1
69.03426	4.4
69.07076	10.6
70.06588	11.2
70.10095	6.0
71.04978	2.5
71.06924	3.8
71.08627	2.2
72.08141	1.9
73.80392	1.4
77.03902	1.4
79.05505	8.1
81.03399	2.4
81.07062	22.0
83.04980	5.2
83.08620	5.4
83.24447	1.3
85.02898	2.0
85.06536	3.0
86.09744	1.8
88.07640	8.7
89.07963	2.2
91.05477	14.5
93.07047	21.2
95.04964	5.0
95.08610	26.0
97.02901	3.6
97.06532	6.7
97.10166	2.4
99.08096	4.8
102.09160	4.4
103.09543	2.7
105.07033	22.7
106.07402	2.2
107.04958	2.2
107.08596	23.7
109.02894	8.2
109.06503	4.3
109.09457	2.5
109.10160	33.6
110.03217	2.9
111.03335	1.5
111.04441	11.1
111.08076	10.6
117.07010	3.6
119.07792	2.8
119.08586	41.0
121.06506	5.0
121.10144	17.8
123.08074	6.2
123.11707	7.3
125.06004	2.4
125.09641	5.7
128.06210	2.3
129.07025	2.0
131.08545	6.9
132.04001	1.4
132.10199	2.1
133.06497	3.0
133.10127	23.4
135.08064	6.5
135.11691	9.3
137.05971	2.4
137.09610	12.8
137.13211	1.4
139.07529	2.6
139.11172	1.6
141.07079	1.4
142.07828	1.8
143.08551	6.2
145.10135	13.7
146.11766	3.2
147.08060	2.6
147.11668	21.8
149.13335	3.4
151.07545	2.2
151.11185	5.6
153.09062	2.5
155.08601	2.0
157.10155	8.2
159.11711	14.8
161.09680	2.2
161.13284	8.5
163.11176	2.8
163.14803	2.5
165.09152	3.5
165.12770	1.7
169.10158	2.8
170.10889	2.2
170.26114	1.7
171.11720	5.6
173.09625	1.8
173.13278	8.5
175.11166	2.3
175.14784	3.7
179.10677	3.5
181.10048	1.5
181.12245	2.6
183.11739	4.5
185.13266	4.6
187.11197	4.6
187.14827	5.7
189.12767	1.7
189.16357	4.2
191.10620	2.1
193.12288	2.0
195.11725	1.5
197.13307	5.9
199.14886	5.4
201.12747	3.8
201.16411	4.7
205.12312	2.3
205.15866	1.8
211.14862	3.3
213.12781	1.6
215.10780	1.7
215.14410	2.3
217.12279	2.3
217.15959	1.5
219.13887	1.5
225.12848	2.7
225.16393	1.9
227.14369	2.6
228.23276	5.0
229.12225	2.7
229.19620	2.5
229.23610	18.9
231.56316	1.5
239.17967	3.7
243.13901	4.8
243.21255	2.0
245.15292	2.7
251.84608	1.7
253.19545	4.3
257.19006	6.1
271.20535	3.8
272.25787	2.1
273.26205	22.7
275.20050	4.9
281.18988	7.2
289.21625	3.5
299.20068	30.9
300.20361	2.9
317.21130	54.1
318.21436	2.8
335.22174	32.6
335.29880	100.0
336.22540	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2214
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
55.01861	2.2
55.05492	8.6
57.03428	2.9
57.07082	2.5
67.05506	19.2
67.71463	1.7
69.03422	2.2
69.07062	12.8
69.55936	14.8
71.04994	2.5
79.05501	10.4
81.07053	20.3
83.04971	3.4
83.08615	5.3
85.06521	2.4
86.83306	2.0
91.05468	8.9
93.07040	22.1
94.12508	1.9
95.04971	4.5
95.08611	31.2
95.79928	1.9
97.02869	2.9
97.06522	5.1
98.20702	2.1
99.79839	1.9
105.07031	18.0
107.08595	31.1
109.06511	6.7
109.10146	23.1
111.04437	10.6
111.08076	3.7
117.06995	3.2
119.08578	34.4
121.06534	2.5
121.10144	19.2
123.08073	4.3
123.11696	10.0
125.09618	3.8
131.08551	7.0
133.10124	22.2
135.08052	4.8
135.11713	10.6
137.09595	8.3
139.11169	1.9
143.08549	4.4
144.09305	2.4
145.10114	8.5
147.07999	3.5
147.11665	20.4
149.09720	1.7
149.13281	4.2
149.42715	2.2
151.11139	4.2
155.08521	2.2
157.10155	6.6
159.11705	13.6
161.09546	4.4
161.13266	8.2
163.11194	3.6
169.10059	3.0
171.11726	6.7
173.13263	7.7
175.11140	2.2
177.12718	2.4
177.16371	2.2
179.10689	3.5
183.11726	4.4
185.13210	3.6
187.11183	3.2
187.14888	2.8
189.12903	3.0
189.16429	2.7
193.12251	2.9
199.14882	4.3
201.16331	4.2
205.12170	2.5
205.15889	2.2
211.14845	2.7
215.14235	2.1
219.13832	2.7
227.14439	3.3
229.12213	2.6
239.17992	4.2
243.13806	5.2
253.19571	2.5
257.19067	5.1
261.14789	2.2
269.32031	2.6
275.20078	4.0
281.18896	5.2
289.21664	3.3
299.20029	25.2
300.20404	2.2
317.21121	53.1
318.21387	3.6
335.22153	100.0
335.25595	5.4
336.22510	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	335.2216
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
53.93718	2.2
55.05512	19.6
55.95469	2.6
57.03430	8.2
57.07077	3.8
59.05002	6.9
67.05505	57.2
69.07063	19.6
69.93413	5.2
69.93827	10.5
71.04993	3.3
79.05495	31.5
81.07058	57.3
83.08618	8.9
85.06541	5.1
86.22553	2.7
91.05479	22.6
93.07043	44.6
94.07381	4.0
95.04958	4.5
95.08050	5.0
95.08610	58.9
97.02885	3.4
97.06507	5.1
97.10177	4.8
98.21424	2.9
105.07023	35.0
107.07954	4.7
107.08598	48.0
109.06535	5.2
109.10152	39.6
110.10506	3.7
111.04439	10.3
111.08077	4.5
117.07024	8.2
119.08586	52.5
121.06539	3.2
121.10141	37.8
123.08054	8.8
123.11723	9.7
125.05962	2.9
125.09615	4.3
131.08542	8.6
133.10138	28.6
135.11693	21.6
137.09633	4.5
137.13266	3.2
143.08533	7.4
145.10086	19.7
147.11668	22.1
149.09692	3.1
149.13254	5.7
151.07576	2.9
151.11186	3.9
155.08612	3.2
157.10118	8.4
159.11690	19.3
161.13239	13.7
163.07616	3.2
163.11250	3.2
163.14838	5.9
169.10184	4.4
171.11717	9.2
173.13234	12.6
175.11208	3.0
175.14853	6.8
177.16405	3.1
179.10770	5.0
183.11690	4.9
185.13240	5.8
187.11089	5.1
187.14830	5.0
197.13220	5.0
198.13652	2.4
199.14842	6.7
201.12770	3.4
201.16354	5.1
205.12228	5.0
211.14929	3.9
213.16353	5.9
215.17863	6.3
219.13841	6.4
229.19600	3.7
233.15547	2.8
239.17926	4.3
257.19064	3.6
271.20578	3.9
273.18524	3.6
275.20102	8.6
281.19073	4.1
299.20050	18.8
300.20462	6.3
317.21155	63.2
317.24646	3.3
318.21460	17.3
335.22119	100.0
335.25836	60.2
336.22473	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	335.2218
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
55.01883	5.0
55.05515	20.5
56.79211	2.6
57.03437	9.3
57.07047	3.5
62.06977	2.4
65.04597	2.7
67.05167	4.9
67.05508	68.8
69.03423	6.5
69.07069	27.9
69.97650	15.0
71.04981	7.0
79.05494	34.2
81.07065	57.2
83.04983	7.4
83.08614	13.7
85.06541	6.1
91.04961	3.4
91.05486	27.3
93.07045	56.7
95.04971	12.2
95.08608	67.0
96.74322	2.8
97.02861	4.7
97.05962	2.7
97.06522	14.9
97.10163	4.0
100.43765	3.7
105.07040	54.8
107.04957	4.7
107.08607	58.3
108.33366	2.5
109.06528	10.4
109.10155	69.0
110.10484	3.0
111.04456	26.3
111.08074	11.5
117.07023	10.9
119.08590	79.7
121.06530	5.1
121.10143	47.4
123.08057	13.7
123.11683	19.2
125.06013	5.3
125.09653	7.1
129.07042	4.6
131.08583	22.8
132.38747	2.6
133.06529	4.4
133.10132	56.3
135.08047	10.3
135.11690	21.1
137.06012	2.8
137.09622	20.9
137.13235	3.3
139.07568	5.0
139.11188	4.4
142.07782	5.5
143.08583	9.3
144.09419	3.1
145.10141	31.2
147.08041	6.0
147.11685	45.4
149.09587	7.7
149.13289	8.0
151.07494	4.0
151.11182	12.0
153.09155	4.6
155.08568	6.9
156.09444	3.8
157.10120	19.2
159.07994	4.3
159.11711	25.2
161.09627	5.0
161.13210	13.7
163.11194	6.8
163.14861	4.4
165.09087	4.2
167.10663	3.6
168.09413	3.0
169.10162	10.7
171.11725	12.5
173.09648	5.7
173.13269	19.4
175.11162	4.8
175.14893	4.8
177.12738	3.5
179.10701	6.0
181.12352	5.5
183.11693	10.8
184.12387	2.9
185.13249	8.7
187.11206	3.6
187.14848	10.1
189.16440	7.0
193.12328	3.2
195.11723	3.3
197.13309	8.6
199.11215	3.8
199.14857	14.8
201.12700	4.5
201.16418	6.7
205.15906	4.9
211.14761	4.2
215.10703	3.7
217.12140	4.0
219.13919	4.3
225.12804	3.9
229.12234	5.2
239.18095	6.5
243.13972	6.9
245.15504	4.5
257.19037	6.7
271.20605	5.9
275.20218	5.6
281.18967	7.2
289.21637	7.4
299.20071	51.3
317.21121	93.1
318.21393	8.7
335.22195	100.0
335.25891	24.7
336.22592	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	335.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.1
55.05519	15.7
57.03419	2.8
60.02492	2.4
66.98971	3.0
67.05511	34.0
69.03418	7.7
69.07064	22.5
69.33150	7.0
69.33572	23.3
71.04997	4.7
79.05488	15.3
81.03427	5.9
81.07064	37.9
83.04995	14.7
83.08617	9.6
84.04499	11.7
85.02906	7.7
91.05496	17.7
93.07047	25.1
95.04961	8.3
95.08611	60.0
97.02914	11.6
97.06532	5.5
97.10109	4.2
105.07028	24.4
107.05006	4.8
107.08596	36.6
109.02905	8.3
109.06506	5.7
109.10160	52.8
111.04443	36.3
111.08083	7.1
117.07017	4.3
119.08591	49.4
121.06491	13.4
121.10140	24.1
123.08078	6.8
123.11710	14.7
125.05985	4.7
125.09645	3.4
126.05512	15.2
127.03915	4.9
131.08572	13.1
133.10124	22.7
135.08067	10.3
135.11702	11.8
137.05998	6.4
137.09616	24.6
137.13277	10.6
138.05505	12.0
139.07509	4.5
142.07800	3.9
143.08582	7.7
145.10129	24.9
147.08035	7.0
147.11681	15.4
149.09625	5.5
149.13266	9.6
151.11201	7.8
155.08609	3.4
157.10132	10.9
159.08083	6.3
159.11736	20.6
161.09659	6.2
161.13278	15.0
163.03920	2.8
163.11148	13.4
163.14841	7.9
165.09138	4.3
168.06529	3.9
169.10144	5.4
171.11737	8.9
173.09656	4.8
173.13254	14.9
175.11111	3.1
175.14813	8.0
177.12663	3.1
177.16428	4.0
178.76390	2.7
179.10683	3.1
183.11646	5.3
185.13295	7.4
187.11206	3.7
187.14816	10.6
189.09196	4.3
189.12831	5.0
189.16437	6.8
191.14368	3.8
197.13289	9.0
199.14864	7.9
201.12790	5.7
201.16356	7.7
203.10721	5.4
204.08719	13.7
204.39209	2.7
205.15912	9.4
207.10182	3.3
207.17503	7.1
211.11159	3.5
211.14841	4.5
213.16403	3.5
215.10742	3.1
215.14386	5.0
217.12318	5.4
219.13754	5.5
229.12265	7.5
229.15851	4.4
229.19505	3.4
231.13916	2.8
233.15379	4.3
235.13403	3.5
239.17972	6.4
243.13795	6.9
243.21104	4.5
247.13422	7.6
253.19487	8.4
255.17795	3.8
257.19000	5.3
261.14920	4.8
271.17624	2.7
271.20569	17.4
275.19913	5.4
281.19067	8.0
289.21719	9.4
299.20044	53.3
317.21158	100.0
318.21500	7.0
335.22202	96.3
335.26694	5.7
336.13013	5.5
347.91983	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2217
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
50.43359	10.4
53.17006	14.2
55.05504	18.3
55.59903	12.6
64.55811	12.3
67.05512	62.9
69.07092	21.7
71.60808	13.3
79.05482	33.9
81.07066	67.8
83.08604	17.1
91.05481	37.4
93.07045	62.1
95.08620	69.9
105.07012	25.8
107.08584	33.6
109.10155	42.5
119.08614	28.9
121.10110	23.7
133.10133	35.0
135.11653	23.4
145.10129	19.2
147.11807	12.0
209.46707	11.7
235.99348	14.4
247.20682	15.9
299.19925	13.4
302.73804	14.9
317.21057	24.3
335.22180	31.4
335.25800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2215
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
53.03943	2.7
55.05518	11.9
56.05017	1.5
56.96556	1.9
57.03428	5.1
57.07061	3.5
57.28160	1.4
58.06598	2.2
60.04534	1.3
61.15734	1.4
67.05179	2.2
67.05508	37.9
69.03407	3.1
69.07066	10.6
70.45133	2.7
70.45483	3.9
71.04987	2.5
77.64724	1.2
79.05492	20.1
81.07057	37.3
83.04980	3.5
83.08610	8.1
85.06529	2.7
88.07631	8.8
89.07917	2.1
89.42638	1.5
90.28918	1.3
91.05483	15.2
93.07047	30.4
95.04984	6.9
95.08608	44.5
97.06519	5.2
97.10156	2.5
99.08067	1.7
105.07019	12.7
107.08593	27.8
109.02818	1.6
109.06516	3.7
109.10157	25.5
111.04433	5.1
111.08060	5.7
117.07026	4.2
119.08594	28.4
121.06488	2.5
121.10149	30.0
123.08081	2.6
123.11720	9.5
124.75890	1.3
125.09651	2.5
127.03857	1.6
129.05435	1.6
129.07001	2.7
131.08554	9.4
132.10222	1.9
133.10132	21.4
135.08008	2.8
135.11685	12.5
137.09610	5.9
137.13258	1.7
143.08540	3.2
145.10129	10.6
147.08003	2.8
147.11690	16.3
149.09660	2.0
149.13219	5.4
151.11174	2.5
153.09065	1.6
155.08508	1.5
157.10117	5.1
159.11662	8.7
161.13264	9.5
163.11223	3.4
163.14825	2.9
169.10152	2.1
171.11702	5.5
173.09572	2.2
173.13260	10.1
175.11256	1.9
175.14899	3.7
177.16371	1.8
179.10684	2.8
183.11687	4.4
185.13263	3.6
187.14833	6.0
189.16388	4.1
193.12373	1.6
197.13264	3.3
199.14825	3.1
201.16383	3.5
205.15802	2.1
205.57814	1.4
211.14955	1.7
213.16411	1.8
219.13806	4.0
221.15271	1.6
223.84567	1.4
229.12218	2.0
233.15349	2.0
242.24953	2.8
243.13817	2.9
243.21107	6.0
243.25113	10.2
253.19597	1.6
257.19025	2.4
259.16769	1.5
261.22058	3.2
271.20615	2.6
275.20071	4.1
280.52084	1.3
281.18985	1.8
287.27692	3.2
289.21741	2.0
299.20078	13.0
301.71854	1.5
317.21161	30.0
317.24612	2.9
318.21448	3.9
335.22101	100.0
335.25818	31.8
335.29865	46.3
336.22253	6.6
338.21127	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2216
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
55.05504	19.2
57.03442	8.9
65.03941	6.1
67.05494	49.0
69.03419	6.0
69.07065	45.1
69.69816	36.0
79.05502	25.7
81.07058	61.3
83.05000	7.3
83.08617	6.2
85.06548	6.9
87.43488	5.2
91.05471	25.5
93.07040	44.7
95.04951	11.7
95.08607	62.3
97.02921	13.6
97.06525	14.2
98.21422	10.9
98.59662	5.1
105.07047	46.7
106.77554	5.8
107.08591	57.1
109.06548	13.0
109.10162	87.0
111.04435	23.6
111.08090	17.3
111.11728	10.9
117.07017	13.4
119.08579	98.2
121.06479	8.1
121.10154	34.2
123.08037	13.3
123.11719	18.2
125.09611	8.1
125.52306	5.7
131.08575	16.6
133.10144	49.7
135.08083	11.9
135.11693	18.9
137.09647	17.4
137.13281	11.3
139.07581	5.7
143.08611	9.6
145.10126	18.3
147.08073	22.3
147.11679	40.9
149.09615	6.9
149.13300	9.7
151.11197	14.1
153.09091	9.2
157.10193	10.8
159.11720	29.4
161.09608	11.3
161.13278	12.0
163.11072	6.9
163.14847	6.5
165.09087	19.4
171.11728	6.3
173.09688	8.5
175.11055	6.3
179.10745	9.2
185.13347	7.7
187.11110	11.7
187.14772	6.8
192.79503	6.2
197.13245	8.0
199.14813	7.5
201.16322	8.1
207.10181	12.7
211.14862	8.4
219.13853	7.5
225.11192	6.4
239.17947	11.6
245.15582	8.4
268.61707	5.6
271.20587	11.5
275.20007	9.0
281.18964	8.7
289.21579	6.5
299.20056	50.6
317.21133	100.0
333.35620	6.6
335.22192	83.7
336.22549	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53523	0.6
53.03945	1.1
55.05512	3.9
57.03449	2.7
57.07069	0.5
65.03934	0.5
67.05505	14.5
69.07066	4.8
71.57382	0.7
71.57813	0.7
79.05491	8.5
81.07056	13.4
83.04974	1.0
83.08607	1.8
85.06521	0.8
90.63707	0.6
91.05477	4.7
93.07051	8.9
95.04974	1.9
95.08608	11.6
97.06553	0.9
97.10165	0.7
99.08085	0.7
99.99453	0.6
105.07028	4.5
107.04974	0.6
107.08602	5.1
109.06532	1.2
109.10165	4.8
110.06077	0.6
111.04389	0.6
111.08102	0.9
117.07082	0.9
119.08572	4.1
121.10146	4.7
123.08042	0.8
123.11735	1.3
125.09687	0.9
129.06964	0.5
131.08582	1.8
133.10110	3.3
135.08025	1.0
135.11693	2.7
137.09671	0.7
137.13266	0.9
145.10132	1.9
147.11700	2.7
149.09579	0.6
149.13246	1.5
157.10138	1.0
159.11737	1.2
161.13316	1.4
163.11156	1.1
173.13307	1.4
177.12753	0.8
187.14809	1.0
191.10654	0.5
203.18172	0.5
205.15924	0.6
227.76561	0.5
261.22278	0.8
294.24237	1.2
299.20016	1.2
308.36066	0.5
317.21136	3.2
317.24606	1.1
335.22012	100.0
335.25854	17.6
336.22092	5.2
336.25610	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58833	1.8
51.71870	1.7
53.03928	2.5
54.49346	1.8
55.05505	6.7
57.03457	3.8
57.07077	2.2
59.04980	2.3
59.06130	13.1
60.04507	3.3
61.02924	3.8
65.68080	1.5
67.05514	8.7
69.03441	10.6
69.07068	29.3
71.05013	2.4
71.59707	2.6
79.05497	7.4
80.70233	1.6
81.03410	7.5
81.07061	100.0
82.07381	2.2
83.05005	3.2
83.08617	4.8
85.02905	42.8
85.06539	3.7
90.48617	1.7
91.05468	7.0
93.07053	11.3
95.04959	3.7
95.08614	37.5
95.09168	1.3
97.02901	11.7
97.06543	1.7
97.10181	4.8
99.04453	2.3
99.08086	2.2
101.07161	22.9
105.07024	7.9
107.08611	9.2
109.02873	14.5
109.06537	1.7
109.10151	10.1
111.08051	2.2
111.11729	39.9
117.07075	2.6
119.08586	7.3
121.06474	2.4
121.10159	3.6
123.08094	3.8
125.09625	1.9
127.03906	12.1
129.05487	2.0
129.07060	2.0
131.08554	5.2
133.10158	4.7
135.08047	9.6
135.11674	5.4
136.06190	57.3
137.09587	1.9
137.13264	47.3
137.14351	2.2
138.13638	2.5
143.08533	4.0
145.04942	10.0
145.10141	6.5
147.11688	3.3
148.06183	23.5
149.09593	3.1
151.11130	2.2
153.12790	1.9
155.14320	31.4
157.10165	2.7
159.11690	4.7
161.13255	4.0
163.03909	2.5
163.06041	11.7
163.11153	2.7
165.09052	2.2
173.13200	1.9
173.15373	36.4
174.07782	2.1
175.11221	2.7
179.14305	1.8
183.11758	3.0
191.14406	1.8
204.12451	51.7
209.16518	1.9
218.25533	1.5
219.14122	1.6
245.15306	2.0
245.19907	1.8
266.16583	1.8
272.74591	1.8
274.74713	1.6
281.17651	2.9
282.03781	1.9
293.06769	3.0
317.21158	2.1
335.21811	4.2
336.16635	26.4
336.22552	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2063
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
50.93415	1.0
52.30110	1.0
53.03940	2.2
53.46758	1.1
55.01868	1.9
55.05503	4.8
57.03416	2.2
57.07061	3.0
60.40280	1.0
60.40582	1.0
61.02924	1.7
65.03931	2.1
67.05512	10.7
69.03422	5.6
69.07068	66.6
70.06593	1.8
70.07405	2.2
71.04983	1.6
71.59129	1.2
71.59486	1.4
73.02922	1.6
79.05483	10.1
81.03416	3.4
81.07056	100.0
82.07410	1.2
83.04985	1.7
83.08611	2.4
85.02901	29.4
85.06534	4.1
91.05472	5.5
92.05021	1.8
93.07044	7.7
94.06577	2.3
95.04968	2.5
95.08607	36.6
97.02891	6.3
97.06529	8.8
97.10158	2.9
99.04446	1.6
99.08092	18.6
101.07114	2.7
105.07038	10.1
107.04900	1.0
107.08592	12.7
109.02890	4.2
109.06521	3.1
109.10149	7.9
111.04421	2.4
111.08056	2.0
111.11714	42.4
114.45865	1.1
117.06976	1.6
119.08575	9.2
121.06484	1.5
121.10140	8.2
122.06013	2.9
123.08031	1.8
123.11681	2.1
124.07622	1.5
125.06016	1.4
125.09628	55.3
127.03915	7.6
131.08554	3.3
133.06461	1.9
133.10120	6.0
135.08063	1.9
135.11722	2.9
137.05965	2.5
137.09660	1.1
137.13254	42.7
138.05498	1.8
138.13620	1.2
140.07010	3.0
143.08586	1.3
144.08083	1.2
145.04967	6.4
145.08885	1.5
145.10123	2.6
146.09628	2.0
147.11702	7.8
149.09637	3.3
149.13216	1.7
150.05505	33.8
151.07539	1.4
151.11174	1.9
155.14307	31.7
156.14700	1.7
157.10129	2.2
159.11702	1.6
161.13229	1.3
163.03915	1.7
163.06015	6.6
165.04268	1.5
165.09085	1.3
165.12724	3.2
166.05013	12.8
172.11153	1.6
173.08282	1.2
173.15376	38.4
174.12793	3.1
175.07552	1.1
176.03447	4.1
181.12157	1.6
185.08453	1.3
185.13235	1.2
190.12221	1.4
193.12274	5.6
194.04388	1.2
200.10698	1.5
201.11188	1.2
202.12225	2.5
211.13269	3.4
216.10213	1.5
218.08231	1.4
218.11794	12.8
228.10167	8.0
246.11215	11.1
263.16251	2.3
271.10745	2.2
272.09262	2.0
273.12210	1.2
274.10562	1.3
281.17477	2.0
287.10275	4.2
289.11761	5.5
299.10257	1.8
299.20224	1.4
317.11447	15.3
317.20914	4.1
335.12265	14.2
335.21783	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	335.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01875	2.2
55.05508	2.9
55.78878	1.1
56.96562	4.6
57.03430	3.1
59.05005	1.1
61.02920	3.9
67.05508	3.5
68.97671	1.0
69.03440	12.7
69.07068	2.7
71.04996	13.4
71.33684	2.7
72.57407	1.1
73.02919	2.9
79.05496	1.6
81.03424	28.5
81.07055	4.9
82.04199	4.9
83.01309	1.0
83.05008	1.5
83.83188	0.9
84.04486	1.1
85.02910	21.9
85.06548	4.5
86.09716	1.2
87.04461	2.8
88.99146	1.6
89.06032	3.4
90.57355	0.9
91.03940	1.2
91.05496	3.2
93.07054	2.4
93.21367	1.0
95.04971	15.0
95.08605	4.4
97.02910	8.2
97.06550	3.5
98.03680	3.7
98.97600	20.6
98.98477	4.2
99.04453	4.1
105.07033	2.8
107.08583	3.5
109.02898	12.8
109.10171	3.5
111.04436	2.7
113.06021	35.3
116.98643	18.1
119.04916	2.7
119.08587	3.1
121.10152	2.3
123.04454	5.6
123.08111	1.2
125.05998	2.0
127.03925	9.8
127.07597	1.3
128.98656	1.2
129.78130	1.0
133.10086	1.3
134.99655	12.3
135.11668	1.3
137.05972	1.5
137.09604	1.8
138.06421	1.3
141.05486	37.2
142.05754	1.0
145.04991	3.4
145.10143	1.3
146.99673	2.5
147.04436	8.3
147.11668	2.1
149.01244	1.3
155.07036	7.6
158.99702	2.4
159.11684	1.3
165.00705	1.1
173.08115	100.0
174.99136	1.4
177.00723	24.5
177.02171	1.9
185.03223	1.2
193.00215	2.9
195.01784	21.6
200.02228	2.0
218.03371	1.4
219.01663	1.7
224.01987	1.1
234.99042	3.6
235.01279	4.6
237.02798	3.2
242.70279	1.0
247.01326	2.9
253.02251	6.9
255.13196	1.1
259.52026	1.2
265.02362	15.3
283.03345	1.7
288.03983	1.4
291.01672	2.9
299.20163	2.4
317.11377	1.6
317.21167	4.0
335.12640	2.8
335.22287	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05513	1.6
57.36494	0.6
60.71421	0.6
63.59854	0.6
65.03933	4.2
67.05506	6.6
69.03436	1.2
69.07069	98.9
70.07388	0.6
70.77561	2.0
79.05500	2.1
81.03427	1.6
81.05778	0.7
81.07041	4.2
82.49128	0.6
83.04987	1.4
85.02880	0.8
86.09777	0.9
91.05482	1.6
92.05014	3.9
93.07053	2.9
94.06574	4.0
95.04970	3.5
95.08616	1.8
96.08150	1.9
97.02876	1.4
97.06534	16.9
105.07069	1.0
107.08600	2.1
108.04503	1.1
109.02879	1.4
109.06520	1.9
109.10211	1.4
111.04445	0.6
111.08102	0.7
117.07053	0.9
119.03749	0.7
119.04912	0.7
119.08613	1.7
120.04483	1.1
121.05248	1.3
121.06531	1.1
121.10131	0.9
122.06039	10.6
124.07602	4.0
125.05966	1.5
130.06569	1.0
131.07314	0.7
131.08577	1.1
133.10139	1.4
137.06010	2.6
138.05522	4.9
140.07079	10.4
141.07863	0.9
142.08682	0.8
143.08554	0.9
144.08154	1.0
145.08876	2.0
145.10112	1.3
146.09663	2.3
147.04361	1.0
147.11702	0.9
148.03966	2.6
150.05507	100.0
151.05862	0.7
152.03487	0.7
157.08856	1.6
157.10098	0.8
159.10408	0.9
160.11235	0.9
161.08360	3.1
162.09148	2.3
164.03371	0.8
165.04196	1.2
166.05005	36.0
166.10660	0.7
168.06587	1.7
170.09784	0.9
172.07570	1.5
172.11208	2.6
173.08327	2.1
173.09683	1.1
174.05550	0.8
174.12708	3.5
176.03415	8.8
178.05034	2.1
182.04454	0.8
182.08249	0.8
185.08372	1.6
186.07666	2.3
188.07033	1.2
188.10770	1.5
190.08694	0.9
190.12282	4.6
194.04503	4.4
198.07892	1.9
200.07066	0.8
200.10779	4.9
202.12286	5.2
213.10260	1.7
215.11707	1.0
216.10194	2.7
218.08310	1.0
218.11746	16.6
225.10388	1.0
226.07242	1.7
227.11926	1.1
228.10236	10.3
234.11227	2.7
241.09746	2.2
243.11365	2.3
244.09688	1.3
245.12874	1.9
246.11247	15.9
253.09760	1.0
255.11290	1.5
256.09698	1.1
257.09265	0.9
259.10834	0.7
261.12286	1.5
262.10675	1.2
269.09134	1.5
271.07864	0.8
271.10797	6.0
272.09113	2.2
273.12299	2.9
274.10733	1.5
285.12506	1.0
287.10266	26.9
287.13510	1.3
288.10818	1.0
289.11826	6.5
290.10129	1.1
291.13406	1.1
299.10205	5.9
299.19858	0.9
317.11313	26.3
317.21115	1.3
335.08679	1.2
335.12393	17.5
335.22327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
65.03925	1.9
65.25399	1.3
67.05499	6.5
69.03436	2.2
69.07071	100.0
69.53317	9.1
79.05485	2.6
81.03445	1.1
81.07065	21.2
85.02894	5.8
91.05471	2.4
92.04990	3.1
93.07021	2.9
94.06566	4.5
95.04948	3.0
95.08601	9.8
95.09130	1.6
96.04512	1.5
96.08113	1.6
97.02895	5.7
97.06526	15.6
97.10195	1.4
98.20729	1.5
99.08069	1.4
105.07033	2.1
107.08592	4.2
109.02866	3.8
109.10170	2.2
111.11715	7.8
114.05505	1.6
119.08595	2.1
120.04475	1.2
121.06567	1.5
122.06064	5.9
124.07603	2.1
125.05966	1.8
125.09628	4.5
125.22628	1.4
126.09106	1.3
127.03927	1.8
131.08594	1.4
133.10146	2.5
135.04398	2.0
135.08052	1.3
137.02393	1.7
137.05960	3.3
137.13280	7.9
137.14200	1.2
138.05511	6.6
140.07062	8.5
140.75348	1.2
144.08052	1.9
145.02835	2.1
145.04929	1.8
145.08908	2.7
145.10057	2.4
146.09633	2.4
150.05507	75.7
155.14334	6.2
156.06543	1.5
157.08891	2.0
157.10110	1.7
161.08325	2.7
162.09132	2.0
163.03879	14.4
163.06026	1.5
164.03413	1.5
165.04271	1.3
166.04999	26.8
168.06601	2.4
172.07550	2.3
172.11244	4.2
173.15392	8.1
174.09068	1.5
174.12842	6.8
176.03444	8.4
178.04994	3.0
185.08418	1.4
188.06952	1.5
188.10594	1.8
190.12296	4.5
194.04442	2.9
198.07826	1.6
200.10672	7.6
202.12325	7.4
216.10173	4.2
218.08305	2.3
218.11772	27.9
227.11713	2.0
228.10234	13.3
234.11215	2.2
243.11285	2.0
244.09755	2.3
245.12842	1.8
246.11270	21.6
255.11330	1.4
271.10849	3.6
272.09229	3.4
273.03946	1.9
273.12238	2.0
274.04297	2.7
274.10699	3.6
275.04538	10.8
287.10214	4.6
289.11859	11.3
290.10059	2.5
299.10165	4.7
317.11340	33.2
317.14792	2.3
317.21097	2.9
335.12341	31.6
335.22116	1.6
336.10944	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	335.0741
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
56.96315	3.2
56.96564	26.1
57.03430	5.0
59.70552	3.1
69.03398	3.5
69.55346	24.6
70.98122	8.0
81.03445	4.0
85.02901	10.4
87.76499	2.7
88.99167	5.9
89.79765	3.6
97.02887	7.5
98.97589	25.4
105.88163	3.5
108.08131	7.4
109.08443	7.0
110.97594	5.5
116.98625	16.2
119.01886	4.9
120.05971	2.9
127.98521	3.2
128.98592	8.7
131.00229	5.3
131.01883	5.7
133.03503	3.2
134.99655	6.5
146.99643	8.9
152.07108	5.3
158.99663	8.4
161.02982	6.5
163.02742	3.6
165.00754	13.9
172.97585	12.1
173.06625	4.3
177.00726	6.6
185.06607	8.8
190.98643	37.2
191.07544	3.4
203.07640	5.3
204.53937	3.2
205.00198	7.0
207.01978	3.7
208.99710	6.4
218.98222	7.6
219.01733	7.8
221.05064	4.7
223.01274	3.9
227.07558	3.9
232.99698	21.4
237.02754	13.0
251.00774	9.3
255.07224	5.1
275.00763	5.9
275.09900	7.1
293.01764	13.0
293.05374	6.8
293.10767	13.3
317.13254	4.0
335.07419	100.0
335.11371	3.4
335.13940	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	335.0738
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
58.17484	3.0
59.68066	3.0
70.36355	11.9
79.93671	3.5
88.75574	2.8
138.93979	3.2
158.42722	2.8
291.93314	3.0
335.07358	100.0
335.10995	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	335.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	67.7
57.03418	1.0
61.02921	1.5
67.05492	0.9
69.03426	4.3
70.00247	3.7
70.06584	1.8
70.98122	18.2
71.04961	1.0
73.02910	1.1
74.97616	4.3
79.05494	0.8
81.03398	1.8
81.07041	0.8
83.04997	1.0
84.96049	1.1
85.02898	5.5
86.09708	0.9
88.99162	16.7
91.05476	1.2
92.98627	2.2
95.04946	1.0
95.08595	1.4
97.02907	4.3
98.06084	5.6
98.97585	11.0
101.00833	0.8
105.06981	1.0
107.00204	6.9
107.08607	1.2
108.08105	2.3
109.02880	2.6
109.08437	2.6
110.97564	1.7
111.04481	1.1
113.00842	0.9
113.04630	1.3
116.98621	12.5
119.01182	1.0
119.01902	5.4
119.04987	1.5
119.08554	1.2
121.01676	0.9
127.03918	2.4
128.98619	7.0
129.10295	0.8
131.00175	1.9
131.01877	3.2
133.01729	1.8
133.03473	1.2
133.10077	0.7
134.99666	11.6
141.06448	6.8
142.06834	3.2
143.01900	2.1
145.01628	1.2
145.03557	2.1
146.99649	19.9
147.04398	3.3
147.05182	1.1
149.01234	1.3
149.02966	2.0
152.05672	1.9
152.07056	1.1
153.00710	1.8
153.06084	1.1
153.07339	1.3
154.96556	3.2
155.01877	1.3
158.99672	1.5
159.05026	1.3
160.97632	1.1
161.01224	2.0
161.02968	3.2
162.99121	1.0
163.02724	2.1
165.00725	37.9
165.06079	2.1
169.05943	3.4
170.01144	1.0
170.06320	1.2
171.05118	1.0
172.95345	1.0
172.97581	21.2
173.03072	2.1
173.06589	2.1
174.99130	1.1
175.02786	1.9
175.04433	0.9
177.00722	2.9
177.05991	1.4
182.96141	1.0
183.01828	5.4
185.02966	2.5
185.06653	2.1
186.99136	2.3
187.04579	1.3
188.02293	1.6
189.00743	1.7
190.98637	100.0
191.02237	7.3
191.05901	1.4
191.07664	1.4
191.99023	1.4
193.00233	2.5
195.99120	1.3
197.03084	1.2
200.97035	1.1
202.05675	1.7
203.04073	1.7
203.05991	2.3
203.07686	1.6
205.00204	17.2
205.03775	1.2
208.99704	32.4
209.02983	1.4
214.00244	6.0
214.98598	5.4
215.04030	1.0
215.07680	0.9
216.57074	1.1
217.05359	1.3
218.98143	23.5
219.01700	2.9
221.05052	2.6
223.01265	21.4
223.04865	2.5
228.01727	1.9
231.01711	2.7
232.01215	1.6
232.99695	58.5
233.08661	1.3
234.00125	1.2
236.99194	10.6
237.02754	4.6
245.05075	1.2
245.08813	1.8
246.02670	1.0
247.01208	5.9
247.04962	2.2
251.00757	35.9
252.01302	1.0
256.01260	5.9
257.01419	1.3
260.99100	1.7
265.02328	3.6
265.05649	0.8
269.01776	2.7
274.02319	2.3
275.00656	24.8
275.10129	1.6
277.33463	0.9
279.00351	0.8
279.09344	1.6
288.92957	1.0
289.03894	1.6
293.01813	38.0
293.05124	2.2
293.10699	4.3
299.19998	1.5
302.10403	1.4
305.53122	0.9
311.02805	3.1
316.03470	4.4
317.13092	1.4
317.21069	1.1
335.06815	2.8
335.12192	12.4
335.22189	2.3
353.07452	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.05511	5.4
55.05735	1.1
56.96547	0.9
57.03434	1.4
57.07059	1.4
65.03951	0.6
67.05505	7.0
69.03442	0.9
69.07069	3.5
69.73948	5.1
71.04999	0.8
79.05480	3.5
81.07050	7.7
83.04978	17.7
83.08612	1.8
91.05480	3.6
92.05804	1.0
93.07050	6.9
94.07404	0.7
95.04967	2.0
95.08599	10.9
96.08943	0.7
97.02882	2.4
97.06542	1.9
98.21456	0.8
105.07033	5.6
106.07275	0.9
107.08595	8.5
108.42407	0.7
109.02850	1.1
109.06506	3.4
109.10158	6.7
111.04427	1.4
111.08065	1.4
117.07022	1.2
119.08578	6.9
120.08894	1.4
121.06467	1.4
121.10130	5.7
123.08072	3.8
123.11716	2.2
125.06028	1.1
131.08565	3.1
132.08910	0.8
133.10138	6.9
134.10503	0.7
135.08037	10.1
135.11681	3.4
137.09604	3.1
139.07549	1.1
143.08453	0.7
145.10150	4.0
147.08070	1.2
147.11691	2.7
149.09633	2.4
149.13261	1.6
151.11179	1.5
157.10123	1.4
158.10258	0.8
159.11679	2.7
160.12030	1.0
161.09560	2.3
161.13211	2.1
163.07475	1.0
163.11243	1.0
165.09172	0.8
169.10149	0.8
171.11729	1.6
173.09584	1.1
173.13292	3.5
174.13551	1.1
175.11212	1.6
175.14807	1.1
177.09164	0.8
177.12738	0.7
177.16408	1.3
183.11743	1.0
185.09590	0.9
185.13174	0.9
186.13722	0.7
187.11261	1.0
187.14807	2.1
189.12709	1.3
197.13219	2.3
199.14742	1.0
201.12727	2.6
203.10692	1.4
203.14375	1.1
205.15887	2.4
215.10788	0.9
215.14340	1.5
217.12350	0.8
225.12796	0.7
229.12213	2.0
233.15550	0.8
239.17949	1.1
243.13661	0.9
243.21262	1.0
253.19426	1.5
255.17508	0.9
257.19012	2.7
271.20593	6.5
274.18884	1.1
281.19125	1.0
293.67459	0.8
298.18832	1.3
299.20004	5.9
316.19922	1.8
317.21100	100.0
318.21393	4.6
333.75983	1.1
334.20670	8.2
334.24100	3.3
335.22055	23.5
335.25772	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	334.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85344	1.6
55.05501	5.1
67.05503	13.4
68.09559	1.4
69.03435	2.0
69.07072	18.0
71.04990	1.6
71.27354	1.8
71.27676	2.4
79.05486	4.6
81.07063	15.4
83.04963	3.0
83.08617	5.4
87.51749	1.3
90.39943	1.4
91.05469	7.1
92.05808	1.8
93.03645	1.4
93.07039	11.4
95.04937	1.5
95.08604	28.0
96.08923	2.0
97.02886	1.8
97.06532	10.6
105.07034	14.0
105.50803	1.5
107.08591	17.1
109.06506	2.7
109.09475	1.8
109.10164	25.1
110.10487	4.3
111.04417	8.7
111.08089	2.7
117.06989	3.5
119.08578	35.3
120.08942	3.0
121.06495	3.2
121.10133	11.7
123.08094	3.7
123.11720	8.6
131.08543	4.0
133.06413	1.6
133.10123	13.7
134.10507	1.7
135.08055	3.7
135.11667	4.6
137.09599	8.0
137.13261	7.2
142.07767	2.2
143.08554	5.1
145.10118	8.7
147.08026	6.1
147.11719	7.0
149.05971	1.6
149.09654	2.2
149.13234	3.1
151.07487	1.7
151.11174	4.5
153.09061	4.2
155.08565	1.7
157.10115	7.1
159.08093	2.0
159.11703	10.7
161.13269	4.7
165.09091	2.6
165.12805	2.9
169.10074	3.5
171.11725	4.0
173.09592	3.4
173.13258	5.0
175.07549	2.8
175.11282	1.8
175.14748	2.5
177.09079	2.9
177.12700	2.1
177.16411	1.8
179.10571	2.8
183.11632	3.5
185.09612	1.9
185.13277	3.1
187.11154	3.7
187.14832	4.3
189.12665	2.1
195.11594	1.7
197.13289	3.8
201.12669	2.8
201.16408	2.0
203.10634	2.4
205.15883	2.0
213.12811	1.9
215.10736	2.6
215.17960	1.8
217.12273	3.7
219.13828	2.3
225.12859	1.9
229.12259	1.6
231.13766	2.8
235.13467	1.8
239.17949	3.0
243.13843	5.3
257.19052	4.1
261.14847	5.5
275.20038	6.5
279.15784	1.6
281.19003	5.2
298.18784	2.7
299.20068	19.1
316.19907	3.0
317.21112	100.0
318.21368	4.4
334.20782	7.1
334.24435	3.1
335.22202	23.8
335.25833	2.7
358.23871	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
55.05492	6.1
57.03430	3.5
61.02904	3.9
69.03410	6.2
69.07052	2.0
70.06569	4.0
71.04984	2.7
71.24146	2.9
79.05489	2.6
81.03397	3.9
81.07059	17.0
83.08604	5.2
84.08118	3.4
85.02908	16.4
85.06516	4.3
86.09664	2.0
91.05460	4.3
93.07034	3.2
95.08591	2.7
97.02872	4.7
97.06548	2.4
98.09686	2.8
98.97573	1.9
98.98456	3.1
99.04443	2.2
99.08050	2.3
105.07034	2.4
107.08582	1.7
108.08100	2.7
108.11550	1.3
109.02859	4.0
109.06510	17.8
109.10148	2.4
111.04440	1.8
111.08105	2.0
113.07066	1.4
118.06846	2.4
119.04940	1.5
119.08610	3.0
121.06481	1.8
126.09152	46.6
127.03909	4.0
127.07545	17.0
133.06476	1.3
137.05939	4.4
145.04973	3.0
147.04416	4.0
154.08629	57.8
155.07022	30.8
172.09686	100.0
173.08136	2.1
173.10031	3.0
257.09235	1.7
316.13824	1.7
317.11264	4.9
317.21112	5.9
334.08920	55.4
335.09113	5.1
335.12476	4.1
354.74265	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
54.26183	0.7
55.01870	1.0
56.01475	0.5
57.03430	2.0
57.36087	0.6
61.02936	3.4
69.03433	6.1
69.07043	1.2
69.71874	3.1
69.72285	1.1
71.04999	0.8
73.02922	1.3
74.06095	0.7
75.05274	0.6
79.52911	0.5
81.03412	2.5
81.07063	1.3
84.08128	0.9
85.02913	29.0
86.03252	0.9
86.09689	1.0
91.03947	1.5
91.05486	10.1
93.07027	0.8
95.08620	0.9
97.02910	6.9
97.06515	0.8
98.21555	0.7
98.97596	0.7
98.98475	1.6
99.04452	1.3
105.07060	1.2
109.02892	2.5
109.06554	1.1
109.10129	1.1
115.04004	0.7
119.04962	6.7
119.08577	1.5
121.67098	0.6
122.54516	0.6
127.03931	5.3
130.08673	1.6
131.08589	0.7
137.05988	100.0
138.06311	3.0
145.04988	7.0
147.04378	1.1
151.07475	1.1
155.07039	12.0
163.06053	1.4
167.06981	0.9
172.09752	1.3
179.07079	2.2
180.08698	6.0
196.67603	0.6
203.07085	1.2
203.10371	0.7
204.66458	0.6
221.08107	0.8
245.08018	0.8
257.09067	0.7
263.09216	2.2
281.10324	0.8
289.11893	0.7
317.11414	2.2
317.21118	2.0
358.62256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
56.05021	1.1
56.96573	2.7
57.03421	1.6
60.04506	2.9
60.08154	1.2
69.03427	1.1
70.06560	0.9
70.19575	1.3
70.19917	4.4
71.04871	1.2
72.08147	5.9
73.02921	1.2
73.08483	2.0
84.04472	1.2
84.08147	1.2
85.02876	2.2
86.03581	4.9
86.09708	8.4
87.10043	1.3
88.03986	1.4
97.02897	1.7
98.21395	1.3
111.04431	1.3
113.04604	9.9
114.05457	1.2
115.03957	1.1
116.98618	1.1
119.01909	1.8
133.05060	1.4
133.06061	1.6
139.02560	1.9
140.05669	2.8
141.04086	3.1
141.06456	100.0
142.04863	1.5
142.07265	5.7
143.74232	0.9
150.65288	1.1
152.05693	28.1
153.04021	1.2
154.07260	2.7
154.08569	1.0
159.11412	1.2
165.59508	1.0
167.02122	1.1
168.05176	4.7
169.05956	54.1
170.06783	7.1
173.12871	2.7
180.05168	1.7
184.04688	2.5
185.05312	1.4
187.10751	2.0
190.98651	2.5
198.06120	1.4
199.07053	1.0
201.12381	1.4
202.05722	35.7
215.10312	1.7
222.05212	1.9
227.06625	2.3
234.07011	1.1
234.88667	1.2
245.08939	1.5
246.05266	4.1
264.06223	1.6
273.10739	6.4
274.08389	2.0
301.10175	15.3
334.10413	4.5
335.12634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2633
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
53.03957	1.7
55.01861	2.2
55.05304	1.3
55.05507	15.4
57.03424	2.3
57.07062	3.4
62.05135	1.3
65.03922	2.4
67.05502	63.8
69.03417	1.8
69.07063	30.6
69.66570	10.7
70.42472	1.3
71.04974	6.3
77.48709	1.4
79.05051	2.2
79.05488	23.6
81.03400	4.2
81.07052	83.7
81.67558	2.1
83.04964	3.8
83.08618	12.6
85.06525	4.4
91.05479	8.0
93.07034	27.9
95.04974	3.2
95.08602	79.5
96.08928	1.5
97.02857	1.6
97.06516	7.5
97.10159	10.0
98.21464	3.1
98.98421	1.8
99.08045	2.3
105.07053	13.4
107.08592	19.8
109.02888	8.4
109.06506	3.1
109.09458	2.6
109.10155	40.2
110.10448	1.8
111.08103	3.2
111.11702	1.4
117.07018	2.6
119.08543	10.2
121.10133	21.7
123.08055	2.4
123.11694	15.7
125.09642	3.5
127.03902	1.7
129.07111	1.3
131.08548	7.6
133.06480	2.2
133.10130	9.9
135.08072	1.9
135.11699	11.5
136.16086	1.4
137.06015	3.2
137.09583	3.5
137.13240	11.5
139.11163	2.3
143.08646	1.6
145.10100	6.9
147.11681	8.7
149.09622	2.4
149.13226	5.7
150.47467	1.5
151.11136	3.0
151.14818	3.1
157.10147	2.9
159.11670	5.6
161.09572	1.6
161.13219	7.7
161.29590	1.4
163.11227	1.7
163.14722	2.8
165.12729	4.2
167.07083	3.6
173.11798	2.6
173.13197	3.3
175.14799	1.9
179.14250	3.4
183.83447	1.4
187.14816	4.3
188.35774	1.9
188.37762	2.1
195.13763	1.7
209.15294	3.2
243.21037	10.6
261.22168	26.4
279.23169	100.0
280.23431	1.8
287.05396	2.0
287.19907	2.9
288.10077	2.7
297.24283	14.4
315.19449	5.2
333.20444	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	333.2422
Annotation	17beta-Carbomethoxyandrost-5-en-3beta-ol
Peak:m/z	Relative Intensity
54.34225	4.7
55.05509	13.2
66.07457	4.5
67.05500	53.0
69.03426	10.2
69.07053	20.1
71.59963	9.4
79.05487	11.8
81.07062	33.9
83.04962	10.1
83.08624	11.6
89.06027	14.6
91.05464	19.4
93.07005	29.6
95.04967	46.8
95.08606	42.9
97.06509	9.2
98.98463	18.5
105.07025	36.2
107.08609	41.8
109.06503	9.5
109.10132	49.1
111.04430	6.0
117.07050	5.1
119.08591	44.3
121.06545	6.4
121.10126	36.6
123.08095	10.6
123.11674	17.0
131.08575	12.9
133.06421	6.0
133.08553	5.4
133.10117	49.4
135.08084	25.5
135.11682	21.4
137.09586	33.4
137.13210	8.9
143.08580	11.7
145.10127	20.3
147.08011	7.1
147.11665	21.4
149.09625	8.2
149.13239	8.6
151.09676	11.9
157.10130	18.6
159.11671	29.1
161.09583	12.9
161.13268	18.7
163.11176	12.5
163.14868	6.8
165.09218	7.3
171.11636	20.4
173.13229	19.0
175.11182	11.8
175.14809	11.3
177.12744	17.1
183.11644	4.8
185.13243	15.4
187.14757	9.6
189.16400	5.6
199.14755	13.5
201.16476	11.8
203.14305	7.8
205.15829	9.2
209.13358	5.0
209.84167	5.0
213.12854	4.7
213.16386	7.7
215.14359	4.9
225.16583	4.6
227.14333	8.9
241.15686	7.8
241.19386	9.5
243.17464	8.5
245.15308	5.1
255.17564	5.8
255.21001	22.7
259.20572	8.9
273.19250	4.7
273.22079	23.1
280.50592	5.8
283.20538	32.0
287.20068	7.6
301.21597	100.0
302.22003	6.0
315.19623	9.7
315.23199	9.9
319.22726	7.7
333.20435	27.6
333.24301	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2061
Annotation	Ptilodene
Peak:m/z	Relative Intensity
55.04127	4.7
55.05502	14.9
57.95441	4.3
61.08152	4.7
67.05499	36.7
69.03446	10.1
69.07053	14.6
69.33739	29.3
69.34172	22.3
72.08147	10.2
79.05487	7.0
81.07076	29.3
83.05016	6.2
83.08614	5.7
89.06011	6.6
91.05481	21.0
93.07053	26.8
95.04961	7.3
95.08607	52.5
97.02908	12.2
97.06524	8.6
98.06001	5.2
98.98464	23.2
105.07034	43.3
107.08585	41.3
109.06502	10.0
109.10165	100.0
111.04447	16.1
111.08057	6.7
115.07542	5.4
117.07007	10.5
119.08572	48.7
121.06535	7.2
121.10171	23.8
123.08078	8.6
123.11752	8.1
127.03917	8.1
129.07063	4.9
131.08571	9.3
133.06519	23.9
133.10159	37.7
135.08096	9.3
135.11725	10.0
137.09633	7.8
137.13280	13.1
142.07733	5.7
143.08603	11.5
145.10143	13.2
147.08099	14.9
147.11642	10.4
149.13289	5.4
157.10129	14.0
159.11734	12.0
161.09665	17.1
161.13272	7.9
163.11115	5.2
165.09152	15.5
171.11783	11.3
173.09578	6.3
173.13216	4.7
173.69638	5.2
177.12770	6.6
179.10666	11.7
181.10008	4.6
185.13391	5.5
187.11194	19.1
189.09152	8.2
189.16365	5.4
195.11653	7.1
199.14838	8.1
205.12308	5.1
207.10188	20.3
209.13277	6.3
219.13829	8.3
225.11243	15.9
255.17584	6.8
269.19040	10.5
273.18457	7.5
279.17459	8.8
287.20053	11.6
297.18521	17.5
315.19577	43.0
333.20621	46.3
333.24265	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	333.2057
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
55.05505	27.9
67.05493	62.3
69.07070	24.9
69.80060	89.7
79.05492	28.3
80.25459	16.1
81.07061	58.0
81.23003	14.5
83.04980	37.9
91.05491	48.9
93.07020	42.7
95.04955	24.2
95.08619	52.5
98.21541	21.6
98.98466	79.2
105.07023	93.6
107.08588	89.0
109.10159	100.0
111.04488	26.0
117.07034	22.2
119.08588	83.6
121.10104	39.2
131.08525	30.7
133.06502	25.8
133.10135	39.8
135.11713	23.9
143.08551	23.3
144.30605	16.6
145.10130	33.5
146.73325	17.9
147.07977	19.2
157.10089	29.8
159.11694	41.7
161.09599	18.4
163.11243	20.7
173.13251	22.0
185.09602	17.7
187.11275	20.7
195.11591	18.1
203.10857	18.0
209.96242	17.6
269.18945	21.5
273.18582	27.4
287.20059	21.5
297.18613	30.3
315.19614	44.2
333.20654	87.8
333.23981	29.9
333.32498	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	333.2058
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
53.03927	1.9
55.05501	5.5
57.03433	1.5
57.07043	1.7
59.04988	3.2
65.40971	1.4
67.05502	11.9
69.03420	4.6
69.07072	7.6
71.04993	1.7
71.33202	3.5
71.33549	1.8
79.05487	14.3
81.03419	3.1
81.07058	16.7
83.04953	2.4
83.08614	2.8
85.02920	1.5
91.05481	15.3
93.07040	18.2
95.04969	15.1
95.08600	19.9
97.02884	4.2
97.06512	3.6
97.10162	2.1
98.98450	4.5
99.08094	2.5
105.07024	23.7
107.04944	3.4
107.08589	19.3
109.02866	5.9
109.06527	7.0
109.10162	14.5
111.04453	10.7
111.08078	3.2
117.07025	6.4
119.08575	22.2
119.15871	1.5
121.06493	5.6
121.10133	12.1
123.08070	4.4
123.11667	3.0
125.06030	1.8
125.09605	2.9
128.06268	1.9
129.07011	4.3
131.08546	12.7
133.06474	4.9
133.10114	14.9
135.08037	14.4
135.11678	5.6
137.05981	5.6
137.09581	1.5
139.07549	2.2
143.08554	10.7
144.09344	1.9
144.10446	1.4
145.06520	1.6
145.10149	16.0
147.04424	3.5
147.08037	4.1
147.11688	8.3
149.09612	8.3
149.13284	1.9
151.11218	2.0
153.09259	1.7
155.08546	3.2
156.09401	3.4
157.10141	14.8
159.08066	2.0
159.11708	13.6
161.09641	4.9
161.13258	4.2
163.03911	2.0
163.07529	2.3
163.11183	6.6
165.09109	3.5
167.07065	8.5
167.08304	1.6
169.10130	5.0
171.08138	1.5
171.11673	11.1
173.09644	2.0
173.13255	5.3
175.11263	3.1
175.14781	3.8
177.05504	1.7
181.10138	3.0
183.11723	3.3
185.09595	2.7
185.13251	7.3
187.11102	4.2
187.14844	3.4
189.09146	2.4
189.12773	2.5
191.10670	2.2
195.11707	3.9
197.13329	2.7
199.11194	4.3
199.14819	5.7
201.12790	2.1
205.12282	1.9
205.15790	1.8
209.13307	3.3
211.14868	5.1
213.12729	2.9
213.16423	2.7
215.14233	1.9
217.12163	4.4
223.11034	2.2
225.16206	2.1
227.14212	2.1
227.18076	2.8
237.16367	4.4
239.14317	1.9
241.19508	2.0
243.13765	1.9
251.17949	3.8
253.15997	1.8
255.13667	2.3
255.17436	4.9
257.15170	1.7
269.16071	1.5
269.18994	4.3
271.17026	2.1
273.03946	7.0
273.18396	3.6
279.17407	3.2
279.23148	2.8
285.18640	2.0
287.05328	4.1
287.20041	3.4
288.10010	2.8
297.18497	15.1
303.19601	2.7
315.19522	37.9
315.23041	2.8
333.20587	100.0
334.20630	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2061
Annotation	PGA3
Peak:m/z	Relative Intensity
52.85274	1.6
53.03947	5.1
55.01862	1.9
55.05518	4.7
56.58071	1.5
61.08090	1.9
65.03943	3.2
67.05508	25.8
68.16611	2.1
69.03429	6.8
69.07070	3.1
69.56883	13.0
69.57294	2.4
79.05500	11.2
81.03419	25.9
81.07054	17.1
83.04994	2.6
83.08618	2.6
85.02914	3.0
85.30046	1.6
86.09769	2.2
91.05486	10.8
93.07066	12.9
95.04974	4.2
95.08617	24.0
97.02879	9.6
97.06550	4.0
98.98466	3.1
102.81385	1.7
105.07052	18.0
107.08617	17.6
109.02890	100.0
109.06539	5.8
109.10167	71.1
109.10924	2.9
110.03226	2.4
110.24998	1.9
111.04441	9.5
111.08077	4.1
117.07021	3.0
119.08591	33.8
121.10173	9.5
123.08076	6.5
123.11663	4.6
127.03916	7.7
129.07008	2.5
131.08572	6.4
133.06502	7.3
133.10165	22.5
135.08066	4.6
135.11670	3.2
137.05969	3.8
137.09613	2.3
137.13264	4.6
137.85817	2.0
143.08542	4.2
145.09036	2.2
145.10074	8.6
147.08075	11.6
147.11713	5.3
149.09637	4.0
151.11203	2.3
157.10175	5.7
159.11742	8.7
161.09647	10.1
161.13300	2.9
163.11221	2.7
165.09152	14.2
171.11708	4.5
173.09651	3.6
173.13309	3.3
175.11234	2.5
175.14841	2.0
179.10646	8.6
185.13330	3.9
187.11177	6.0
189.09119	7.1
189.12779	2.2
195.11691	2.4
199.11137	2.9
201.12726	3.0
207.10147	9.5
209.07677	2.3
213.12880	2.0
225.11226	14.1
251.18326	2.0
255.17506	3.4
269.19131	3.9
272.25922	4.7
273.18646	2.0
279.17526	3.6
287.20151	3.4
293.02002	1.8
297.18610	9.6
315.19574	16.3
333.20587	23.9
334.29544	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	333.2058
Annotation	Ptilodene
Peak:m/z	Relative Intensity
53.03951	4.3
55.01876	1.8
55.05516	3.5
57.07074	3.2
59.05007	2.5
67.05505	33.1
69.03447	5.9
69.07072	4.5
69.49428	16.3
71.04999	1.8
79.05493	10.8
81.03419	15.0
81.07056	23.5
83.04980	3.6
83.67189	1.8
85.06550	2.5
91.05483	21.7
93.07040	20.5
95.04979	7.0
95.08606	31.5
97.02910	7.8
97.06528	3.9
98.20783	3.2
98.98470	4.7
105.07028	23.6
107.08596	21.1
109.02127	3.4
109.02882	48.3
109.03592	3.3
109.06517	7.6
109.10162	100.0
111.04449	6.0
111.08073	4.3
113.05996	2.0
117.07034	4.0
119.08582	46.0
121.06498	5.2
121.10132	12.9
122.03581	1.8
123.08088	7.7
123.11716	2.8
125.05930	2.0
127.03934	6.7
128.06216	3.0
129.07062	3.2
131.08592	6.9
133.06511	9.3
133.10135	29.0
135.08102	5.6
135.11717	4.9
137.05994	13.6
137.09653	7.1
137.13261	9.5
143.08566	5.5
145.10149	7.8
147.08049	20.0
147.11693	3.5
149.09616	3.3
151.07581	2.9
151.11214	3.6
154.28485	2.0
156.09415	2.2
157.10147	5.6
159.11685	9.3
161.09624	18.7
161.13245	2.0
163.07600	2.8
163.11205	3.2
165.09111	23.5
167.07071	16.0
167.08510	3.0
171.11743	4.9
173.09669	2.8
173.13271	3.5
179.10689	14.8
181.08655	2.2
183.11743	1.9
185.09624	2.3
185.13257	2.8
187.11240	9.0
187.14864	2.8
189.09106	14.0
195.11655	1.8
199.11101	2.4
199.14948	2.1
201.12877	2.9
205.12267	2.0
207.10168	22.1
219.13898	3.2
225.11230	18.7
227.17850	2.1
255.17435	3.9
258.98425	2.4
261.16702	1.9
269.19104	5.1
273.18610	3.2
275.65442	1.8
278.48825	2.6
287.20053	3.8
288.09937	9.9
297.18478	9.2
301.10864	2.3
303.12250	2.8
315.19595	13.6
333.13019	2.8
333.20663	15.8
340.57455	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2061
Annotation	Ptilodene
Peak:m/z	Relative Intensity
50.37854	2.1
50.48523	2.6
52.07916	2.3
53.03955	2.9
55.01870	5.1
55.05511	13.3
56.05021	7.6
57.03437	5.5
57.05807	2.6
65.03945	4.0
65.70467	2.8
67.05508	20.3
69.03415	9.2
69.07074	12.9
69.47309	24.6
70.06599	3.3
72.05343	2.4
73.74571	2.7
76.63969	2.5
77.03903	3.0
79.05499	16.8
81.03465	2.9
81.07067	21.4
83.04981	9.3
83.08617	10.9
85.02919	3.7
85.06538	5.5
87.04468	3.8
91.05489	22.6
93.07050	32.4
95.04973	7.4
95.08611	32.1
97.02894	9.4
97.06516	6.5
97.10146	3.7
98.20776	6.0
98.98462	11.4
103.05479	16.7
105.07040	34.3
107.04938	3.7
107.08599	41.5
109.02911	3.7
109.06513	9.8
109.10163	27.1
111.04424	23.4
111.05589	6.3
111.08109	3.0
117.07039	9.2
119.08588	51.7
120.04477	3.9
121.02856	3.3
121.06494	11.3
121.10143	38.3
123.08071	8.2
123.11716	7.9
125.05979	3.4
126.06636	5.7
128.06242	3.3
129.06995	8.9
131.04930	55.7
131.08589	12.6
132.04448	14.1
133.06491	5.0
133.10114	37.7
135.08067	49.6
135.11682	18.5
137.05998	11.8
137.09639	5.3
142.07765	4.0
143.08517	13.7
145.10124	22.6
147.08040	8.0
147.11687	11.8
149.09598	18.4
149.13229	3.4
151.06129	10.2
151.07423	5.6
153.09178	3.0
153.12758	4.6
155.08562	7.9
156.09375	7.1
157.10092	21.4
158.10956	3.2
159.11725	20.9
161.09616	6.9
161.13254	9.8
163.11215	9.1
164.07071	9.0
165.09140	6.8
167.07054	10.2
167.08453	3.8
169.10139	9.1
170.10913	5.2
171.11716	24.1
171.13072	3.2
171.13678	3.1
173.09576	5.4
173.13266	18.1
175.11218	8.5
175.14854	8.0
176.98865	3.2
177.09158	2.9
177.12735	2.8
177.16536	3.2
181.10124	4.3
183.11694	4.8
185.09607	5.8
185.13242	15.9
187.11177	5.3
187.14832	8.8
189.09077	2.8
189.12749	3.0
189.16475	4.7
195.11642	8.8
197.13293	10.8
199.11162	8.8
199.14751	12.5
201.12848	5.7
202.09769	8.4
203.10641	5.8
203.14386	3.0
205.12241	4.6
209.13220	6.6
211.14827	7.1
213.12724	14.7
213.16351	7.5
215.10564	3.8
217.09793	5.7
217.12279	6.5
217.15872	3.5
225.16360	3.8
225.39021	2.7
227.14267	4.9
227.17975	10.7
230.09267	3.9
231.13823	9.8
237.16470	5.5
241.12228	4.9
245.09258	25.0
251.17984	6.1
253.16095	2.8
255.17479	17.0
257.10361	5.0
259.11874	44.1
260.10156	3.5
269.18958	10.8
273.18469	28.2
279.17468	6.4
284.11337	4.9
287.19955	21.4
288.09756	3.1
291.14536	82.2
291.17734	4.9
292.14606	3.2
297.18549	32.2
302.12442	43.4
308.72604	2.9
315.19550	64.3
333.10324	5.6
333.12958	5.2
333.16693	100.0
333.20627	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	333.2058
Annotation	Ptilodene
Peak:m/z	Relative Intensity
53.03935	6.7
55.01854	1.9
55.05502	7.2
57.07077	3.2
67.05496	22.7
69.03422	5.9
69.07061	6.5
69.55444	13.7
71.04986	4.0
73.06554	2.3
79.05482	9.4
81.03414	29.1
81.07053	18.2
83.04984	5.4
83.08605	2.5
85.06557	1.7
86.51544	1.8
91.05062	1.5
91.05485	17.3
93.07043	38.8
95.04959	5.1
95.08604	25.2
97.02879	6.9
97.06523	3.5
98.98472	5.3
99.15311	1.6
105.07021	23.8
107.04948	2.0
107.08588	30.6
109.02877	100.0
109.06528	10.3
109.10155	62.7
109.10920	2.3
110.03204	2.1
111.04413	8.2
111.08102	2.6
117.07030	4.7
119.07793	3.4
119.08576	44.4
121.06534	3.5
121.10149	12.2
123.08050	5.5
123.11678	5.3
125.06021	2.3
125.09656	2.0
127.03925	9.7
131.08568	9.3
133.06480	7.5
133.10127	25.5
135.08055	7.2
135.11688	23.2
137.05956	2.2
137.09627	3.7
137.13278	4.3
142.07761	2.5
143.08530	10.1
145.10126	9.2
147.08015	14.7
147.11682	4.5
149.09592	5.4
151.11150	3.0
153.12704	3.5
156.09271	2.1
157.10139	7.4
159.11673	10.5
161.09590	13.6
161.13219	2.9
165.09108	17.7
167.07085	3.2
169.10104	3.0
171.08009	2.2
171.11684	7.5
173.13269	5.1
175.11113	2.4
175.14798	4.0
177.09073	2.6
179.10663	9.8
183.11748	2.7
185.09668	2.7
185.13168	3.7
187.11157	6.4
187.14774	2.7
189.09137	9.4
197.13176	2.1
199.11217	4.7
199.14838	2.3
201.12703	3.3
203.10591	2.5
203.14262	1.6
205.12376	2.1
207.10181	12.3
211.14801	2.4
213.12761	3.9
217.12158	3.9
225.11223	10.4
225.16245	1.8
227.18083	2.4
231.13855	2.3
251.18004	2.8
255.17567	3.3
259.13208	2.5
259.16855	2.0
269.19122	8.7
273.18427	6.7
279.17468	3.2
287.20016	7.1
291.19269	1.7
297.18469	12.9
315.19537	16.7
333.13385	3.2
333.20599	31.2
333.24176	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
54.02000	1.1
54.03708	1.1
55.01870	1.4
55.05503	4.5
56.05022	1.1
57.07073	1.7
63.79356	1.2
65.03948	1.9
67.05505	16.3
69.03414	3.8
69.07070	14.0
71.04993	1.9
72.08149	1.9
73.06535	1.7
79.05481	7.2
81.03419	2.8
81.07057	57.3
82.06576	1.5
83.04991	3.1
83.08623	2.3
85.02931	5.8
85.06544	1.2
86.09689	1.8
87.05584	1.0
90.51395	1.0
91.05490	7.5
93.07043	13.6
95.04982	3.1
95.08606	37.1
96.08945	1.6
97.02885	5.0
97.06545	7.0
98.07121	1.4
98.98462	7.4
99.05563	4.9
99.08106	1.5
99.09218	3.0
101.07133	1.5
105.07035	12.5
107.04929	2.2
107.08595	17.6
109.02879	5.9
109.06517	3.8
109.09455	2.1
109.10159	30.0
111.04449	9.2
111.08105	2.1
112.03763	1.0
113.06017	2.2
115.07571	1.3
117.07024	3.5
118.92120	2.3
119.08590	18.1
121.06501	2.8
121.10122	9.2
123.08075	3.6
123.11680	2.7
125.06000	1.4
127.03907	2.5
129.06996	2.1
129.09039	1.5
131.08568	4.1
133.06511	8.5
133.10162	12.4
135.08034	4.2
135.11705	8.3
136.93098	13.4
137.02335	3.0
137.05981	10.8
137.09605	2.3
137.13225	14.3
138.13582	1.2
139.07515	1.4
142.07738	1.3
143.08562	4.8
145.04921	2.1
145.06497	1.5
145.10104	8.9
147.08069	4.7
147.11694	2.7
149.09621	3.0
153.12770	4.0
154.94164	39.4
155.08589	2.3
157.10106	7.5
159.08096	1.5
159.11688	7.2
160.11670	1.6
161.09650	5.9
161.13258	2.3
163.07489	1.3
163.11203	2.6
165.09184	5.3
167.07047	8.2
169.01234	2.1
169.10149	3.2
171.10420	1.5
171.11716	4.2
172.95238	100.0
173.09561	2.6
173.13251	3.6
175.14842	2.4
176.98955	1.5
179.10710	4.4
181.10068	1.7
182.09644	1.9
183.11859	1.9
185.09596	2.7
185.13237	3.3
187.11147	6.4
187.14742	1.2
189.09099	3.8
189.12796	1.3
190.96277	55.3
191.10684	1.9
195.11743	1.7
195.96864	6.8
197.11996	5.1
199.11148	2.2
199.14836	2.4
201.12733	3.9
202.06871	1.3
202.52043	1.2
203.10641	1.6
204.08437	3.1
205.12109	1.9
207.10156	5.9
208.97281	2.3
209.11575	1.5
209.13344	1.4
213.12836	1.4
213.16576	1.4
213.97884	3.2
214.96262	2.8
215.07593	3.0
217.12296	2.6
219.13832	6.0
223.16808	1.4
225.11246	3.4
227.17934	1.4
230.09978	31.4
231.10310	1.2
232.97369	4.4
237.16304	2.1
241.12213	1.5
245.09167	2.6
245.11517	1.2
251.17923	2.7
255.17336	2.7
259.11996	4.0
261.05551	2.0
269.18961	4.4
273.03818	7.1
273.05994	5.0
273.18399	6.1
279.06647	1.4
279.17398	2.2
287.05518	2.8
287.16562	1.8
287.20059	3.4
288.09918	3.1
289.09940	1.2
291.06686	92.1
291.14279	8.8
292.07074	6.5
297.18536	12.8
301.03439	1.4
302.12372	4.3
303.12070	1.3
309.07706	30.7
310.07932	2.3
314.08295	10.1
315.19589	19.1
332.09265	2.5
333.06168	11.7
333.12466	6.2
333.16568	10.7
333.20584	18.4
334.06323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
53.03922	1.6
55.01860	2.2
55.05507	7.0
57.03440	2.7
57.07074	5.7
59.04991	3.6
65.03929	1.5
67.05514	12.2
69.03423	3.6
69.07071	9.9
71.04971	2.4
71.60254	2.6
79.05479	9.1
81.03412	3.6
81.07054	22.0
82.13094	1.1
83.04981	2.9
83.08597	6.3
85.02915	2.1
85.06070	2.0
85.06544	27.1
91.05478	11.4
93.07039	19.2
95.04968	4.7
95.08608	27.8
97.02899	1.3
97.06540	6.4
97.10192	1.9
98.98459	12.3
99.08092	1.5
105.03452	1.2
105.07033	23.5
107.08598	34.0
109.02889	4.0
109.06518	4.8
109.09460	1.5
109.10158	21.2
111.04479	6.3
111.07388	1.2
111.08054	8.5
117.07029	6.7
119.08582	44.7
121.06482	2.7
121.09320	2.3
121.10143	32.0
123.08080	6.4
123.11727	6.2
125.05976	1.7
127.03889	4.4
128.06180	2.3
129.05469	2.0
129.06978	2.7
130.07814	2.4
131.08580	16.4
133.06549	1.7
133.10130	75.2
135.08063	9.4
135.11703	14.6
136.98169	1.2
137.05962	1.7
137.09579	8.4
139.07561	1.9
142.07744	1.4
143.08569	8.3
144.09337	1.7
145.10130	43.0
147.08037	4.3
147.11690	21.1
149.06001	3.2
149.09627	5.9
149.13275	7.2
151.11195	3.5
153.05409	1.7
155.08556	3.5
156.09340	2.4
157.10143	13.4
158.10902	2.2
159.08104	2.1
159.11699	19.8
161.09641	6.8
161.13263	20.6
163.11180	7.8
163.14804	18.8
165.07002	1.5
167.08543	1.3
168.09412	1.1
169.10103	4.9
170.10945	3.0
171.11696	10.2
172.12469	9.7
173.09619	3.4
173.13237	6.0
175.11169	4.8
175.14871	3.3
176.98877	1.5
177.12779	3.2
177.16376	19.5
178.13489	1.2
179.10692	2.2
181.10091	2.6
183.11659	5.9
184.08858	1.2
184.12410	1.6
185.09669	2.5
185.13251	8.4
187.11205	5.0
187.14821	100.0
188.15154	2.0
189.09087	1.7
189.12782	3.4
189.16396	25.3
191.10710	1.6
193.05052	2.8
195.11685	3.3
197.09630	1.8
197.13286	4.5
199.11221	4.3
199.14784	2.6
201.12813	2.2
201.16426	1.3
203.10666	3.6
203.14261	5.9
203.18027	3.6
205.15872	87.4
206.16243	1.8
207.10129	1.5
207.17459	5.9
209.13252	3.6
211.14812	4.5
213.12756	2.3
213.16368	2.6
215.10703	1.5
215.14372	1.7
217.12158	2.7
217.15855	2.6
221.19069	2.1
224.65771	1.3
225.16241	1.4
227.10703	2.1
227.14253	1.5
227.17911	2.6
229.12251	1.7
229.15857	1.6
231.13791	2.2
237.16351	3.4
241.12309	2.0
241.19518	1.8
243.13745	1.8
245.11769	2.0
251.18034	3.2
255.13762	2.8
255.17470	5.3
269.16284	1.5
269.18954	9.3
273.18552	5.5
279.17496	1.5
287.17157	1.2
287.19958	5.2
297.18503	17.4
298.18954	1.3
315.19568	24.4
315.23035	1.3
333.20605	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	333.206
Annotation	Ptilodene
Peak:m/z	Relative Intensity
51.40612	1.9
51.41870	1.8
55.05505	3.1
67.05502	23.1
69.03410	5.3
69.07053	3.4
70.50362	6.8
78.24877	1.6
78.99127	1.7
79.05497	7.6
81.07060	16.4
85.06528	1.8
91.05472	10.2
93.07050	10.8
95.04946	2.4
95.08604	29.1
97.02896	11.2
97.06548	3.1
98.21333	2.5
105.07032	17.2
107.08599	18.9
109.06517	6.0
109.10158	100.0
111.04435	5.8
111.08054	2.3
113.06020	3.2
117.06990	4.5
119.08590	37.6
121.06508	2.6
121.10148	7.0
123.08087	4.6
123.11722	4.4
125.05986	2.0
131.08568	3.5
133.06522	6.5
133.10139	20.9
135.08072	5.3
135.11713	3.1
137.05896	1.9
137.09598	3.5
137.13235	9.3
142.07780	2.8
143.08540	6.4
144.69110	1.7
145.10123	6.5
147.08061	17.0
149.09601	2.6
151.11160	1.9
157.10132	3.3
158.10553	1.9
159.08061	2.5
159.11714	7.6
161.09610	11.1
161.13264	2.2
163.07452	1.9
165.09129	18.9
171.11659	2.8
173.09686	1.9
173.13280	2.4
179.10626	10.9
185.09772	2.2
187.11214	8.5
189.09169	11.2
202.43959	1.7
205.12144	2.3
207.10173	17.9
219.13823	2.7
225.11269	17.7
255.17558	3.1
256.70044	1.8
269.19028	3.5
273.18420	3.3
279.17221	2.9
287.20059	4.8
297.18475	7.2
315.19507	13.0
333.20560	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	333.2058
Annotation	Ptilodene
Peak:m/z	Relative Intensity
52.16944	3.4
55.05516	9.3
67.05505	50.4
69.03436	10.7
69.07066	14.4
70.90316	6.5
70.90677	8.6
73.06576	7.0
79.05502	15.6
81.07067	30.8
83.04980	5.2
83.08575	4.3
91.05483	18.5
93.07062	22.4
95.04952	6.3
95.08612	60.2
97.02907	14.2
97.06541	22.4
99.08120	3.8
105.07037	42.3
107.04977	5.2
107.08602	39.4
109.06496	6.8
109.10162	100.0
109.10908	5.1
111.04459	32.4
111.08068	4.8
113.06018	6.0
115.07584	3.7
117.07030	7.4
119.08592	67.4
121.06497	6.9
121.10151	22.3
123.08108	10.5
123.11720	5.0
129.06996	5.7
131.08585	18.6
133.06508	32.6
133.10129	30.4
135.08060	8.8
135.11772	6.8
137.09561	4.7
137.13303	6.3
137.91801	3.8
143.08578	13.6
145.10143	23.5
147.08054	19.2
147.11717	11.3
149.09618	11.4
152.89574	3.7
155.08502	5.5
157.10123	19.7
159.08101	4.0
159.11700	21.7
161.09676	11.6
163.07469	4.1
163.11208	7.9
165.09096	18.9
171.11678	16.1
173.09602	5.8
173.13277	11.7
175.11243	5.9
177.09097	5.4
179.10677	11.5
183.11671	5.5
187.11232	15.5
189.09135	13.5
191.10654	4.7
197.13329	4.8
199.14827	4.1
199.90492	4.0
201.12851	6.4
205.12282	5.6
205.15723	3.9
205.52742	3.4
207.10168	20.8
209.11606	5.0
209.13380	4.7
211.14816	4.3
213.12746	4.1
213.16469	4.3
219.13724	21.4
225.11217	19.8
251.18030	8.0
255.17447	9.0
259.13538	4.4
269.19058	10.7
273.18475	11.9
279.17474	6.7
287.16656	6.2
287.20078	12.0
297.18527	37.9
315.19577	68.3
333.20596	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Ptilodene
Peak:m/z	Relative Intensity
53.03977	3.6
53.93259	3.9
55.05508	8.3
59.05006	4.5
60.18701	3.6
63.57338	3.3
65.03928	5.1
67.05502	29.4
69.03430	8.5
69.07060	14.7
70.64422	12.7
73.06526	3.6
79.05487	13.2
81.07066	29.7
91.05478	17.1
91.42054	3.5
93.07052	25.4
95.04943	4.3
95.08614	56.7
97.02879	11.5
97.06538	22.7
105.07040	41.9
107.08614	41.7
107.88806	3.8
109.06543	7.0
109.09461	7.4
109.10162	100.0
111.04464	29.6
111.08048	7.2
113.06062	5.4
115.07549	4.0
117.07077	6.1
119.08582	60.3
121.10147	24.5
123.08076	14.4
123.11721	11.7
131.08565	16.2
133.06500	26.4
133.10149	37.3
135.08060	8.6
135.11714	8.9
137.09639	6.6
143.08589	11.2
144.09373	4.7
145.06387	4.0
145.10201	17.3
147.08023	24.5
147.11769	8.1
157.10141	16.5
159.08026	5.8
159.11671	22.6
161.09648	17.3
163.11189	7.4
165.09129	19.5
169.10115	7.5
170.37245	3.7
171.11673	12.7
173.09683	7.8
173.13281	12.5
175.11226	3.9
177.09157	5.0
179.10680	15.8
181.10030	6.0
183.11761	6.2
185.09698	5.3
185.13258	5.3
187.11209	16.6
187.14795	5.0
189.09113	14.0
195.11687	4.5
199.14900	7.2
201.12784	10.8
203.10675	5.6
207.10201	13.9
213.16341	3.9
219.13805	16.0
222.71040	4.2
225.11217	14.0
227.17921	4.9
231.10191	5.0
251.18024	6.0
255.17381	10.5
269.18967	9.8
273.18472	16.9
279.17508	10.2
287.16660	3.9
287.20035	13.1
297.18436	34.3
315.19592	48.9
333.20636	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Ptilodene
Peak:m/z	Relative Intensity
52.57259	1.1
53.35630	1.1
55.01883	1.2
55.05499	4.8
59.04997	1.7
66.24151	0.9
67.05508	31.5
69.03423	4.5
69.07052	3.9
69.31655	10.6
70.64252	1.0
71.04992	1.5
72.02468	1.1
73.48213	1.1
79.05500	7.7
81.03432	1.3
81.07059	19.5
83.04984	2.2
85.06548	1.2
91.05482	12.8
93.07048	18.1
94.55302	1.1
95.04966	2.7
95.08617	27.0
97.02894	11.3
97.06531	4.2
98.21561	2.4
99.08090	1.7
105.07033	22.1
107.04947	1.7
107.08605	20.8
109.02877	4.4
109.06529	6.5
109.10162	100.0
110.10450	1.9
111.03830	0.9
111.04459	8.1
111.08101	2.6
113.06047	2.1
117.07033	3.8
119.04977	1.6
119.08589	40.4
121.06512	3.5
121.10162	7.1
123.08088	7.0
123.11701	4.3
129.07022	1.6
131.08572	4.5
133.06506	7.5
133.10136	31.4
135.08058	4.9
135.11676	3.8
137.09589	4.7
137.13220	11.5
143.08517	6.6
145.06435	1.6
145.10135	6.7
146.07333	1.4
147.08052	18.3
147.11658	1.6
149.09631	2.9
151.11198	2.1
155.08585	1.2
157.10138	5.9
159.11693	7.9
161.09645	14.0
161.13249	1.8
163.11174	3.9
165.09151	18.4
169.48369	1.2
171.08037	1.8
171.11647	3.4
173.09653	1.6
173.13278	3.7
179.10672	13.1
185.09698	2.3
185.13274	2.2
185.23985	1.1
187.11165	7.4
187.14775	1.3
189.09111	12.4
203.10753	1.6
205.12286	1.5
207.10176	19.5
213.12785	1.9
219.13896	1.5
225.11249	17.9
227.14224	1.6
227.17952	2.1
238.88029	1.2
241.12131	1.7
251.18050	1.8
255.17458	2.2
269.19019	4.5
273.18442	2.3
279.17181	1.1
287.19989	4.7
297.18518	9.4
315.19562	13.3
333.20569	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	333.2061
Annotation	Ptilodene
Peak:m/z	Relative Intensity
55.05504	14.3
67.05521	41.6
69.03442	12.6
69.07075	21.1
70.90157	5.8
70.90488	11.6
79.05489	22.3
81.07072	33.0
83.04983	8.8
83.08617	9.6
87.08123	5.4
91.05489	29.3
93.07057	30.4
95.04989	9.5
95.08618	69.4
97.02892	14.0
97.06549	28.7
105.07037	43.5
107.08607	44.6
109.02880	23.4
109.06537	7.2
109.10167	100.0
110.62376	5.5
111.04444	26.2
113.06010	6.0
117.07004	8.3
119.08595	70.7
121.06496	7.3
121.10155	33.7
123.08089	13.4
123.11720	18.1
125.83924	6.2
131.08594	17.4
133.06541	29.6
133.10126	37.6
135.08067	10.6
135.11719	11.1
137.05980	10.5
137.09673	10.0
137.13287	12.4
143.08580	20.2
145.10130	23.3
147.08084	22.2
147.11786	6.5
149.09596	10.6
151.07593	6.0
151.11200	7.7
157.10168	23.4
159.08221	9.1
159.11722	33.1
161.09648	19.6
164.60960	5.2
165.09131	20.7
169.10184	11.5
171.11768	11.9
173.09814	7.7
173.13268	11.2
179.10721	17.1
185.09660	8.9
185.13298	11.6
187.11234	13.4
187.14859	6.8
189.09158	15.3
197.13014	5.7
199.11209	10.2
199.14836	7.3
207.10201	20.6
209.13376	5.7
219.13855	19.1
225.11237	22.5
227.18112	6.1
237.16437	9.3
255.17577	15.3
269.18909	11.9
273.18475	9.1
279.17499	10.4
287.19977	14.2
288.09933	7.0
297.18481	30.8
315.19565	57.0
333.20645	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Gibberellin A12
Peak:m/z	Relative Intensity
51.26723	2.3
51.69387	2.1
53.03945	3.2
55.05502	14.3
57.03421	2.4
65.03925	2.5
67.05504	14.6
69.03416	3.8
69.07069	16.1
71.57773	2.2
72.58787	2.4
79.05497	15.9
79.21416	2.7
81.07063	23.4
81.95587	2.2
83.04977	3.2
83.08625	9.0
91.05486	16.6
93.07047	33.7
95.04977	7.5
95.08608	40.3
97.10158	7.1
98.98469	7.6
105.07038	28.4
107.04948	5.7
107.08600	41.4
109.02863	2.2
109.06537	7.3
109.10149	18.6
111.04442	5.4
111.08064	2.9
117.07034	9.3
119.08567	39.4
119.09341	3.3
121.06504	4.9
121.10145	36.4
121.45550	2.3
123.08060	5.4
123.11705	5.7
123.25472	2.6
125.02375	2.5
125.05899	2.5
129.06970	5.8
131.08582	19.8
133.06505	4.0
133.10133	42.6
135.08076	8.3
135.11710	15.0
137.06088	2.3
139.07550	2.6
141.06979	2.5
143.08577	9.9
145.10123	24.0
147.08052	8.7
147.11688	27.8
149.06027	4.9
149.09628	5.5
149.13298	6.2
151.03960	2.5
155.08485	5.2
156.09416	4.1
157.10120	14.2
159.11687	19.9
161.09685	6.4
161.13229	10.7
162.13855	2.7
163.11131	3.1
169.10161	3.2
171.11688	8.6
173.09618	5.0
173.13271	9.9
175.07544	3.1
175.11137	4.5
175.14827	3.2
176.77867	2.2
177.09225	4.4
185.09720	3.7
185.13271	6.6
187.11185	2.6
187.14835	14.9
189.09204	3.9
189.16418	4.5
191.10699	7.5
195.11687	4.9
197.13185	6.1
199.11215	5.4
199.14874	5.6
201.09114	2.9
201.16357	4.5
203.10753	5.3
203.17957	32.0
205.12192	3.2
206.57188	2.8
209.13284	4.0
213.12733	4.5
215.10658	5.0
217.12241	10.4
219.10187	5.8
227.10669	3.3
227.17967	5.3
229.12202	2.8
231.13855	7.6
233.11732	4.6
237.11134	2.7
237.16182	2.9
241.12141	3.2
241.19537	10.0
243.21082	6.6
245.11676	3.2
251.17906	6.8
255.13835	3.0
259.13364	2.9
263.12808	6.3
269.16364	2.3
269.18948	13.0
273.14963	3.9
273.18390	3.9
277.14203	2.5
279.17493	3.8
287.20074	42.5
297.18524	32.4
315.19550	56.4
316.19986	2.5
333.20508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Ptilodene
Peak:m/z	Relative Intensity
52.00615	1.9
53.03942	2.3
55.01880	2.8
55.05508	9.9
57.07069	7.5
59.04993	2.1
65.03951	3.1
67.05502	16.3
69.03429	7.5
69.07070	10.7
69.99104	3.3
69.99505	7.2
79.05495	8.8
81.07065	18.8
83.04970	7.0
83.08614	9.5
85.02929	2.9
85.06539	32.7
91.05473	13.6
93.07039	24.7
95.04952	5.0
95.08604	33.6
97.02917	2.4
97.06543	5.1
98.98471	5.6
105.07027	31.6
107.08598	38.8
109.02885	5.7
109.06512	9.5
109.10162	27.2
111.04443	9.1
111.08101	7.9
117.07021	7.3
119.08585	52.0
119.60898	2.1
121.06571	3.7
121.10139	37.9
123.08080	7.2
123.11707	4.0
127.03938	5.3
128.06194	2.6
129.06998	5.2
130.14734	2.1
131.08562	16.8
133.06519	6.1
133.10135	86.0
135.08073	16.2
135.11737	15.4
137.09601	15.0
138.60866	2.0
141.05479	2.5
142.07794	3.9
143.08525	10.0
145.10126	48.6
147.08072	4.6
147.11702	23.1
149.09648	8.4
149.13264	7.1
151.07616	2.9
151.11201	7.0
153.05417	3.6
155.08585	5.7
156.09375	2.7
157.10135	16.2
159.11699	22.7
161.09630	7.4
161.13261	22.6
163.07602	4.8
163.11169	8.1
163.14816	14.4
163.82648	2.5
165.09206	3.2
169.10167	6.2
170.10945	3.4
171.11665	11.1
172.12453	6.8
173.09660	5.5
173.13263	10.6
175.11208	7.4
175.14836	5.4
177.12740	3.3
177.16399	16.6
179.10670	3.7
181.10126	3.8
183.11716	6.2
185.13261	9.5
187.11345	5.1
187.14828	100.0
189.09114	3.8
189.12791	2.8
189.16409	26.2
195.11716	5.9
197.13130	4.4
199.11250	6.8
199.14832	4.6
201.12654	3.5
203.14313	4.9
203.18025	3.0
205.15872	78.8
207.10184	3.8
207.17502	6.6
209.13289	6.0
211.14865	4.0
213.09222	2.3
213.12746	6.6
213.16283	2.4
217.12216	3.9
219.13776	2.9
225.12891	2.9
227.10661	4.3
227.14403	2.8
227.18045	4.1
233.15338	5.9
237.12695	3.4
237.16389	4.6
241.19359	2.4
243.13799	2.5
255.13785	2.6
255.17516	8.9
267.70102	2.4
269.18964	10.4
273.18451	5.9
279.17450	4.6
287.20169	8.7
297.18472	21.4
315.19525	29.9
333.20590	69.1
335.03159	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2057
Annotation	Ptilodene
Peak:m/z	Relative Intensity
52.64495	1.7
55.05515	3.3
61.34863	1.6
65.03922	2.1
67.05500	28.3
69.03423	7.9
69.07059	4.4
70.46748	1.9
70.96034	3.0
75.70040	1.8
75.90404	1.7
79.05474	8.0
80.41396	1.7
81.07050	17.0
83.04987	1.8
83.08598	2.1
91.05485	13.3
93.07031	15.2
95.04968	2.3
95.08603	29.3
97.02901	8.9
97.06521	3.0
104.06190	2.2
105.07020	21.4
107.04986	2.0
107.08581	17.2
109.02856	2.0
109.06517	6.4
109.10148	100.0
111.04448	5.7
111.08095	4.7
113.06000	2.9
117.07046	2.3
119.08575	40.6
121.06473	4.4
121.10153	9.4
123.08063	8.0
123.11693	3.3
128.06250	2.1
131.08560	4.6
133.06485	6.2
133.10114	27.1
135.08063	6.2
135.11665	4.2
137.09666	3.8
137.13226	7.9
143.08539	6.5
145.10138	5.9
147.08041	17.0
147.11632	1.7
151.11201	2.9
157.10120	5.6
159.11697	6.0
161.09615	11.7
163.11157	2.9
165.09090	19.6
165.43764	1.8
169.10173	2.8
171.11720	1.9
175.11079	1.8
179.10658	10.8
185.09589	1.7
187.11212	4.8
188.68179	1.7
189.09100	9.2
197.13316	2.0
207.10149	18.1
219.13962	2.3
225.11171	18.6
251.17978	3.1
255.17494	2.3
259.61163	1.8
269.19028	4.1
273.18396	2.7
276.30368	2.5
287.20132	3.0
297.18420	8.3
315.19647	12.8
333.20459	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	333.2061
Annotation	Ptilodene
Peak:m/z	Relative Intensity
55.05521	7.4
66.38543	3.1
67.05508	38.4
69.03423	9.9
69.07070	15.3
69.59425	5.1
69.60074	23.5
71.51254	3.8
73.06546	5.1
75.47554	3.1
79.05483	12.4
81.07066	25.3
83.05015	4.0
83.08636	5.7
85.06572	4.0
86.90497	3.4
91.05484	18.5
93.07057	20.7
95.04934	5.1
95.08615	53.3
97.02895	10.5
97.06542	27.0
99.08077	5.7
105.07038	35.1
107.08599	33.6
109.02874	8.4
109.06524	9.2
109.10166	100.0
109.10910	6.3
111.04441	22.9
111.08128	6.7
113.05972	5.8
116.06474	3.5
117.07027	6.9
119.08594	59.7
121.06533	7.7
121.10167	20.9
123.08048	7.0
123.11697	9.3
129.07037	6.6
131.08572	10.2
133.06509	27.1
133.10120	36.8
135.08064	8.2
135.11729	9.4
137.09616	4.4
137.13248	6.8
138.15469	3.7
142.07750	5.6
143.08574	12.9
145.10173	17.1
147.08102	21.3
147.11678	8.8
149.09616	10.4
157.10092	20.7
159.11702	21.4
161.09587	17.6
161.13220	5.4
163.11235	10.2
165.09142	19.6
171.11696	12.2
173.09671	9.1
173.13263	13.5
175.14833	4.2
179.10686	16.3
185.09680	4.0
185.13220	9.3
187.11212	18.6
187.14793	4.1
189.09085	10.5
195.11787	8.1
199.11205	4.9
201.12645	8.3
201.67326	3.5
203.10754	4.7
207.10201	18.5
211.14835	4.3
219.13812	15.5
225.11147	14.0
227.17932	6.7
231.10088	5.5
231.13892	4.8
237.16354	5.8
241.12294	6.8
245.11682	4.4
245.15154	3.4
251.18002	8.0
255.17566	8.9
269.18909	6.8
273.18509	11.6
279.17599	6.9
287.16779	3.9
287.19980	9.6
297.18500	30.8
315.19543	49.9
333.20575	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Ptilodene
Peak:m/z	Relative Intensity
53.03944	3.9
55.05517	7.2
57.07084	4.6
67.05510	27.8
68.34355	3.1
69.03413	5.9
69.07063	11.5
71.04987	4.2
71.06815	7.7
71.07144	3.1
79.05479	18.7
81.03414	12.4
81.07064	28.8
83.04988	8.0
83.08614	6.5
85.06551	3.9
91.05495	18.9
93.07057	30.3
95.04965	11.1
95.08605	41.2
97.02909	7.4
97.06533	13.5
97.10172	3.9
98.92146	3.2
98.98454	3.5
99.08101	3.8
105.07036	38.1
107.04977	4.8
107.08585	38.9
109.02886	40.4
109.06498	6.3
109.10149	43.2
111.04422	25.3
111.08089	5.9
113.06031	4.6
117.07032	6.1
119.08601	51.3
121.06550	6.1
121.10148	32.8
123.08073	7.7
123.11716	9.5
125.05984	13.9
125.09783	3.0
131.08572	16.7
133.06503	11.9
133.10136	39.1
135.08057	15.4
135.11650	8.7
137.09625	6.0
143.08577	14.2
145.10130	23.9
147.07994	15.3
147.11691	12.9
149.09612	5.4
149.13191	4.9
155.08522	6.7
156.09367	3.6
157.10165	21.6
159.08076	5.4
159.11667	22.2
161.09622	11.6
161.13258	10.1
163.11214	4.7
163.14798	4.3
165.09117	9.3
169.10150	6.5
171.11687	17.1
173.09744	5.2
173.13246	14.4
175.14832	6.3
177.09135	4.3
179.10651	8.1
181.10179	5.6
185.09622	7.1
185.13266	10.4
187.11211	9.5
187.14830	6.7
189.09084	4.8
191.10652	5.0
195.11707	7.4
197.13330	6.5
199.11188	8.1
199.14754	7.7
201.12842	5.0
203.14308	6.0
205.12288	3.1
209.13147	4.0
211.14815	6.2
213.16393	5.5
217.12334	7.5
219.13826	3.3
225.11246	7.0
225.16415	4.1
227.10515	3.9
227.17970	9.3
231.13791	8.8
233.15414	5.3
241.12262	6.4
241.19426	11.0
251.17863	7.1
255.17455	10.2
255.75023	3.9
269.18994	15.6
273.18365	7.7
279.17380	7.9
287.20071	33.3
297.18536	31.9
315.19580	51.4
333.20593	100.0
334.29776	4.2
341.41541	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Ptilodene
Peak:m/z	Relative Intensity
53.03923	5.2
55.05507	10.1
65.03932	5.7
67.05500	37.1
69.03436	5.9
69.07066	15.5
70.59979	10.9
70.60372	11.0
70.62500	4.8
73.06534	5.6
79.05492	20.3
81.07066	50.8
83.04987	7.5
83.08643	6.4
91.05499	23.5
93.07052	37.9
95.04989	8.1
95.08617	73.4
97.02901	8.4
97.06553	27.1
103.05505	5.7
105.07014	37.2
107.08596	42.8
109.02872	5.8
109.06493	9.5
109.10168	100.0
109.10912	5.0
111.04446	33.8
111.08056	10.5
113.05999	8.0
117.07014	7.8
119.08585	69.2
121.10166	31.6
123.08086	16.2
123.11683	9.0
125.42766	4.5
129.07021	10.8
131.04938	16.2
131.08577	14.3
133.06505	41.4
133.10133	43.2
135.08058	16.6
135.11707	12.5
136.93121	16.8
137.06029	5.8
137.09637	7.2
137.13200	5.2
139.07466	5.9
143.08604	18.7
145.10139	17.0
147.08064	17.7
147.11699	11.9
149.09666	8.1
151.07593	5.2
154.94180	36.6
157.10150	22.6
159.11745	29.7
161.09656	24.3
161.13272	11.2
163.11238	5.9
165.09161	24.4
169.10193	5.0
171.11684	17.5
172.95248	73.4
173.09599	11.8
173.13239	10.2
179.10667	16.0
183.07898	4.8
183.11784	5.2
185.13187	6.8
187.11223	19.9
187.14839	5.6
189.09166	14.7
190.96265	29.9
195.11713	6.0
199.11180	7.9
199.14781	9.3
201.12703	5.1
203.10654	5.1
205.12047	4.8
207.10199	17.8
213.12852	6.4
219.13806	15.9
225.11266	17.8
227.17976	8.1
241.12189	7.4
255.17412	12.1
269.18948	14.8
273.05783	9.9
273.18552	13.0
279.17429	11.4
287.16879	5.9
287.20044	20.5
291.06723	69.4
297.18451	28.9
309.07889	22.3
315.19553	57.2
333.20566	69.0
341.00937	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	333.2061
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
53.03936	3.4
55.05502	9.8
61.61406	2.6
65.03941	3.2
66.31256	2.5
66.44207	2.4
67.05235	2.0
67.05517	24.4
69.03416	9.6
69.07050	9.5
70.51100	11.6
70.51443	2.7
71.04983	5.1
79.05513	23.9
81.07058	29.7
83.04974	7.9
83.08625	3.6
85.43832	2.5
91.05485	27.1
93.07054	34.9
95.04985	15.1
95.08608	36.7
97.02881	6.5
97.06545	8.4
105.06381	4.6
105.07038	50.4
107.04945	5.7
107.08603	40.1
109.06508	11.3
109.10161	50.8
111.04465	22.5
111.08076	5.7
117.07053	12.6
119.08587	52.8
121.06515	10.9
121.10146	23.3
123.08087	9.8
123.11676	6.4
125.05936	3.0
128.06198	3.6
129.06953	7.6
131.08592	18.9
133.06500	9.8
133.10141	37.7
135.08069	18.2
135.11678	9.0
137.05977	3.2
137.09596	3.0
137.13239	2.8
138.48032	2.4
139.07556	5.8
141.06990	4.7
142.07747	4.8
143.08595	14.7
145.06519	3.4
145.10123	30.6
147.08047	11.3
147.11664	14.6
149.09583	9.4
151.07515	3.5
155.08537	8.1
156.09309	4.9
157.10114	25.8
158.10954	2.7
159.11705	31.1
161.09610	9.6
161.13258	6.5
163.11159	11.8
165.09114	8.5
167.08562	3.5
169.10133	11.2
171.08078	3.5
171.11714	17.3
173.09642	4.3
173.13266	12.1
175.11270	5.0
175.14824	4.9
176.11929	2.6
177.12697	3.9
179.08632	2.9
179.10684	5.2
181.10115	7.1
183.11714	9.6
184.12253	3.1
185.09676	7.6
185.13254	10.6
187.11177	9.9
187.14882	4.1
189.09145	10.2
189.16518	2.8
191.10709	3.2
195.11758	7.9
197.13219	6.7
199.11166	7.6
199.14836	9.5
201.12737	7.1
203.10580	3.4
205.12257	3.7
205.15903	4.1
207.10162	6.4
207.11821	3.4
209.13289	4.4
211.11183	3.3
211.14696	5.6
213.12863	6.4
215.14218	3.6
217.12341	7.4
219.13840	5.4
225.11243	5.3
225.16443	5.3
227.14253	4.5
227.18008	3.7
229.12154	3.2
237.16478	5.1
241.19600	3.2
251.17896	6.8
255.13718	3.5
255.17427	4.5
262.53851	2.7
269.19000	10.9
271.16812	4.5
273.18463	6.8
279.17419	7.8
285.18500	4.2
287.19992	6.5
297.18503	34.6
303.19739	3.9
315.19574	69.7
328.60309	2.9
333.20621	100.0
334.20792	3.0
358.29889	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2059
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
55.05506	5.7
55.44379	2.8
65.03904	3.9
66.62308	2.7
67.05499	17.9
69.03426	3.8
69.07079	12.0
71.04985	3.2
71.05636	8.5
74.85960	2.3
79.05500	17.1
81.07057	25.5
83.04962	7.1
83.08615	2.8
83.32121	2.6
86.76441	3.0
91.05479	22.6
93.07046	35.3
95.04971	18.3
95.08609	28.8
97.02854	3.6
97.06537	4.0
105.07027	34.1
107.04906	3.2
107.08598	35.9
109.06525	7.6
109.10178	18.0
111.04435	13.5
117.07041	12.3
117.60033	2.5
119.08588	38.4
121.06487	8.9
121.10161	17.2
123.08043	5.8
125.06025	4.5
128.06210	3.1
129.07007	4.8
131.08543	17.6
133.06447	4.1
133.10121	25.1
135.08072	18.6
135.11694	10.5
137.09596	2.8
139.07565	3.9
141.06998	4.0
142.07767	6.3
143.08539	14.5
145.10129	29.0
147.08040	4.7
147.11748	12.0
149.09636	8.2
149.13258	4.8
151.07516	3.0
153.09053	5.4
153.29993	2.4
155.08502	5.1
156.09265	5.4
157.10136	16.9
159.11670	24.1
161.09612	7.0
161.13229	7.0
163.11191	16.8
165.07095	2.8
165.09100	3.7
169.10165	7.4
171.11700	14.5
173.09613	4.7
173.13174	11.7
175.11298	4.4
175.14867	4.0
177.12788	2.9
177.16225	3.2
181.10175	5.4
183.11711	9.3
185.09698	5.2
185.13310	9.9
187.11133	13.4
187.14815	2.9
193.83328	2.6
195.11731	8.3
197.13223	5.9
199.11166	4.7
199.14821	9.1
203.10667	4.6
205.12267	4.2
207.11897	3.3
207.97728	2.9
209.13272	5.5
211.14772	3.8
213.12741	4.5
217.12227	6.2
223.11098	3.4
225.16342	3.7
229.12250	3.8
231.13852	5.5
237.16359	3.7
241.19394	2.8
245.15504	3.2
251.18086	6.4
255.13763	2.8
255.17305	3.8
269.18954	8.8
270.75385	3.1
271.16922	7.5
273.15256	3.0
273.18524	5.0
273.32343	2.4
279.17438	7.9
285.18481	7.8
287.20050	7.4
297.18536	32.1
315.19537	57.4
315.23016	4.4
333.20609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2061
Annotation	Ptilodene
Peak:m/z	Relative Intensity
52.62698	3.1
55.05508	4.3
67.05508	46.3
69.03431	10.9
69.07064	12.4
70.13972	7.2
70.14386	10.7
73.06577	8.7
79.05499	16.1
81.07064	31.9
83.05009	7.0
83.08620	8.7
91.05476	21.6
93.07030	24.6
93.69173	3.3
95.04953	4.1
95.08607	51.0
96.60101	3.4
97.02905	13.6
97.06504	18.5
97.47425	3.8
99.08092	5.3
105.07024	46.0
107.08603	36.0
109.02892	11.3
109.06522	7.2
109.10161	100.0
109.75437	3.5
110.30901	3.8
111.04446	29.1
111.08065	6.7
113.06004	10.5
117.07047	10.0
119.08583	60.2
121.06503	5.7
121.10143	29.8
123.08083	10.5
123.11741	9.2
129.07034	5.3
131.08562	19.6
133.06499	40.6
133.10139	35.1
135.08061	7.7
135.11679	8.7
137.09622	8.7
137.13249	7.3
142.07845	5.1
143.08601	16.6
145.06519	3.9
145.10121	22.4
147.08006	20.8
147.11690	8.6
149.09660	8.3
151.11154	4.8
157.10146	25.6
159.11668	22.2
161.09656	15.5
163.11186	7.8
165.09116	19.7
169.10208	6.6
171.11687	12.7
173.09648	7.6
173.13293	12.8
175.14815	4.5
177.12767	4.0
179.10725	14.2
185.09662	8.3
185.13240	6.2
187.11206	19.7
189.09155	13.5
191.10747	7.2
195.11688	4.1
199.11163	8.2
203.10751	5.3
205.12274	5.6
207.10167	17.1
209.13336	5.0
213.12711	5.8
219.13841	11.6
225.11172	17.1
227.18005	6.0
237.12907	4.7
245.70613	3.8
255.17564	7.5
269.18997	10.9
272.99390	3.7
273.18600	13.5
279.17490	6.1
287.20132	11.1
297.18567	25.6
315.19559	48.1
333.20563	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2059
Annotation	Ptilodene
Peak:m/z	Relative Intensity
53.03974	2.5
55.01860	2.7
55.05511	9.7
57.07077	3.5
59.04985	2.6
62.31017	1.8
65.03904	3.0
66.56044	2.3
67.05505	37.4
69.03422	6.9
69.07075	16.8
70.57536	3.9
73.06561	3.8
79.05479	16.2
81.03426	4.4
81.07059	30.1
83.04980	6.8
83.08628	6.2
88.91612	2.1
90.28817	1.9
91.05470	16.2
93.07050	26.9
95.04974	4.3
95.08049	4.2
95.08605	53.5
95.09168	4.3
97.02879	12.1
97.06537	23.2
99.08095	3.7
105.07024	35.0
107.04969	4.3
107.08591	38.0
109.02863	10.4
109.06519	5.7
109.10158	100.0
111.04433	27.0
111.08086	6.8
113.06017	7.4
115.07545	2.5
117.07015	8.2
119.07789	4.4
119.08585	58.1
121.06477	6.5
121.10151	28.2
123.08069	9.9
123.11732	12.5
125.06028	4.0
128.06244	3.8
129.06993	6.4
131.08589	13.9
132.68518	2.2
133.06464	20.2
133.10127	36.1
133.19841	2.2
135.08026	10.4
135.11685	9.3
137.05968	4.6
137.09619	4.9
137.13248	8.6
141.09135	2.5
142.07837	4.0
143.08563	12.2
145.10126	20.9
147.08041	16.8
147.11661	8.3
149.05965	2.1
149.09627	7.9
155.08447	2.9
156.09309	4.7
157.10136	16.7
159.08101	2.7
159.11656	21.4
161.09598	17.6
161.13223	3.5
163.07562	5.5
163.11176	5.5
165.09073	14.6
169.10193	6.6
171.10385	2.2
171.11705	12.3
172.08835	2.7
173.09663	10.1
173.13243	13.7
175.14911	5.5
177.09166	3.3
179.10681	14.5
181.10149	4.0
183.11646	2.8
185.09673	8.6
185.13214	5.6
187.11221	18.4
187.14886	2.6
189.09111	10.7
189.16504	3.2
190.38049	2.4
191.10733	4.1
195.11723	6.5
197.13416	3.3
199.11203	7.5
199.14799	6.6
201.12704	6.5
203.10612	5.0
205.12291	3.5
205.15953	2.1
207.10196	20.1
210.62564	2.6
213.12654	3.9
213.16394	3.3
215.14333	3.2
217.12312	4.5
217.16084	2.7
219.13832	20.6
225.11250	10.1
227.17938	6.1
231.10074	3.0
231.13826	4.8
237.16414	4.2
241.12297	3.4
251.18059	4.5
255.13789	4.7
255.17421	10.2
259.13251	3.3
269.18991	14.1
273.18539	9.5
279.17447	7.6
287.16861	3.1
287.20068	15.1
297.18488	31.9
315.19553	55.5
333.20578	56.2
355.09589	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	333.206
Annotation	Ptilodene
Peak:m/z	Relative Intensity
55.05517	11.9
64.94555	3.2
67.05510	21.1
69.03451	5.3
69.07072	13.0
70.64671	6.4
70.65060	6.6
79.05489	13.6
81.03400	4.6
81.07065	33.2
83.04985	4.5
83.08621	4.1
91.05481	13.5
93.07063	30.1
95.04984	7.6
95.08607	38.0
96.78193	3.1
97.02899	5.0
97.06522	9.3
98.98466	5.8
105.07034	36.3
107.08600	39.0
109.02885	5.0
109.06509	11.6
109.10159	39.0
111.04446	12.3
111.08095	7.3
117.07006	10.5
119.08589	53.3
121.06515	10.0
121.10157	24.5
121.71292	3.3
123.08067	11.3
123.11749	3.9
129.07013	5.1
131.08582	12.7
133.06511	9.9
133.10144	34.2
135.08064	71.4
135.11734	9.7
137.09612	39.8
137.13258	4.1
143.08563	15.9
145.10118	21.5
147.08072	10.4
147.11705	13.4
149.09650	10.4
149.13263	6.9
151.07588	5.4
151.11203	6.1
156.09300	4.9
157.10146	24.1
159.08163	5.1
159.11714	23.3
161.09654	15.1
161.13239	7.2
163.07509	4.3
163.11200	11.4
163.14848	5.9
165.09167	5.6
169.10118	11.1
171.08104	4.2
171.11714	16.6
173.09625	8.5
173.13274	11.7
175.11194	25.5
175.14868	7.9
177.12698	7.6
179.10718	6.6
181.10135	8.7
183.11664	7.1
185.09647	6.9
185.13315	11.4
187.11215	9.2
187.14784	9.2
189.09207	5.4
191.10707	4.6
191.14340	3.7
195.11699	6.0
197.13249	8.9
199.11240	10.8
199.14893	5.5
201.12770	6.8
203.10779	5.6
205.12276	5.3
205.15883	6.4
209.13319	8.4
211.11266	4.1
211.14813	6.5
213.12764	7.6
213.16428	5.3
217.12268	4.6
223.14919	3.5
225.11115	4.6
225.16487	4.1
227.10664	3.8
227.14290	5.8
227.17860	7.0
231.13828	5.6
241.19334	3.4
245.11763	4.1
251.18005	7.2
253.15807	5.0
255.13858	5.8
255.17494	13.1
269.18988	22.7
271.20438	4.0
273.18433	9.2
279.17554	8.1
287.20044	23.7
297.18509	53.8
315.19568	67.9
333.17188	3.6
333.20605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2059
Annotation	Ptilodene
Peak:m/z	Relative Intensity
52.10275	2.5
53.03929	4.1
54.69593	2.3
55.01856	3.9
55.05501	17.2
56.68374	2.1
57.03414	3.3
57.07046	3.8
59.04985	3.3
60.55744	2.5
67.05493	25.6
69.03423	5.8
69.07079	12.7
69.96145	16.3
70.31116	2.7
71.04978	4.9
79.05489	19.7
81.03404	9.4
81.07051	24.8
83.04957	12.5
83.08592	7.3
85.06520	11.2
91.05492	20.9
93.07038	37.7
95.04964	7.5
95.08601	34.3
97.02888	3.8
97.06526	9.3
97.10135	3.2
98.98452	14.4
99.08076	5.1
105.07024	39.2
107.04974	3.0
107.08588	42.4
109.02873	19.5
109.06504	62.9
109.10143	26.5
111.04433	28.0
111.08051	7.7
117.06989	8.4
119.08571	52.7
121.06501	6.9
121.10141	35.8
123.08051	12.5
123.11685	5.4
124.58177	2.8
125.06031	3.5
127.03917	3.4
127.07573	4.7
129.07025	7.3
131.08575	20.0
133.06458	6.5
133.10118	38.4
135.08052	23.1
135.11696	15.6
137.05933	4.6
137.09579	4.0
137.13271	3.6
138.41571	2.6
139.07527	4.5
142.07738	3.6
142.29556	2.4
143.08565	17.2
144.09335	6.1
145.10124	29.9
147.08029	7.2
147.11678	18.8
149.09610	11.3
149.13237	7.0
151.07599	3.6
153.09138	5.6
155.08548	7.8
156.09325	11.7
157.10101	29.2
159.08023	6.2
159.11678	33.8
161.09583	8.8
161.13277	15.6
163.07541	6.0
163.11156	4.9
163.14812	3.1
165.09099	6.7
169.10104	12.1
170.10905	4.6
171.11662	31.5
173.09586	4.3
173.13283	17.0
175.11185	8.3
175.14810	10.1
177.16342	4.5
179.10625	6.6
181.10185	3.6
183.11670	7.2
184.12396	3.2
185.09608	7.1
185.13295	15.7
187.11172	11.9
187.14799	14.6
189.16284	7.7
191.10585	6.6
194.03775	2.9
195.11731	6.3
197.13295	10.3
199.11168	11.8
199.14799	15.2
201.09416	2.5
201.12723	7.8
201.16461	2.9
203.10663	9.2
203.14284	3.9
205.12271	8.8
205.15883	9.5
207.10080	4.0
209.13205	8.0
211.14825	9.1
213.12692	14.8
213.16431	8.2
215.10651	3.6
215.14299	3.9
216.81572	2.8
217.12265	13.5
217.15762	4.7
226.13451	3.2
227.14357	5.5
227.17931	8.5
229.12222	4.8
231.13818	9.8
237.16415	4.9
241.15785	3.4
241.19456	6.1
243.13757	6.0
243.17448	3.5
245.15355	8.4
251.17902	7.2
253.15788	3.8
255.13882	5.5
255.17384	16.4
257.15332	6.2
259.16943	9.8
269.19019	21.6
271.16821	7.5
273.18521	29.3
279.17471	12.1
287.19983	19.4
289.17899	26.3
297.18466	41.2
298.18906	3.1
315.19516	54.9
333.16867	4.6
333.20547	100.0
333.24826	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	333.206
Annotation	Ptilodene
Peak:m/z	Relative Intensity
53.03948	1.8
54.58259	0.9
55.01841	0.9
55.05518	5.3
57.07077	1.2
59.04983	1.0
65.03942	1.0
65.08015	0.8
67.05504	9.2
69.03431	10.6
69.07078	6.6
71.04651	2.1
71.04992	1.1
79.05486	12.1
81.03405	1.9
81.07055	14.3
83.04983	16.3
83.08624	2.3
85.06528	1.8
91.05472	13.4
93.07043	13.3
95.04980	3.4
95.08604	14.4
97.02907	7.3
97.06545	4.8
99.08096	22.3
105.07024	17.4
107.04958	6.8
107.08595	27.8
109.02861	3.4
109.03603	0.9
109.06529	8.6
109.10168	10.5
111.04408	6.1
111.08073	4.4
115.05454	2.0
117.07018	3.8
117.26260	1.1
119.04957	2.1
119.05909	1.1
119.08585	19.1
121.06511	10.8
121.10146	10.8
123.08080	10.1
123.11724	2.5
125.05981	2.1
125.09625	3.7
129.07019	3.0
131.08546	5.4
133.06485	4.6
133.10120	9.8
135.08054	87.9
135.11679	2.9
136.08356	1.4
137.05975	3.5
137.09619	14.0
139.07503	1.8
142.07767	3.0
143.08571	5.3
145.06488	1.5
145.10149	8.4
147.04478	2.0
147.08073	6.7
147.11696	9.0
149.05910	1.5
149.09641	8.6
151.07549	2.9
151.11240	1.4
153.09076	1.5
155.08517	1.2
156.09306	1.5
157.10110	7.4
159.08055	2.0
159.11688	6.9
161.05959	1.4
161.09645	5.9
161.10767	0.9
161.13213	4.1
163.11205	5.8
163.14958	1.2
165.09096	2.2
165.12689	1.1
167.07005	2.0
169.10130	1.2
171.11684	8.3
173.09605	5.9
173.13266	2.9
175.11189	9.1
175.14851	2.6
177.12753	4.2
179.07117	1.3
179.10683	1.8
181.10107	1.2
181.12296	2.1
183.11703	1.2
185.09650	1.9
185.13290	3.4
187.11195	2.9
187.14876	2.7
189.09203	1.2
189.12755	7.6
191.10693	1.9
193.12225	1.9
197.13231	2.5
199.11160	6.5
199.14851	1.1
201.12741	1.8
203.10562	2.2
203.14333	3.4
205.12248	1.7
205.15887	1.8
209.13322	1.2
211.14803	1.7
213.12770	4.2
217.12265	10.9
219.13579	1.3
225.16508	1.3
227.14378	1.2
227.17937	2.0
231.13765	5.9
235.11246	1.0
235.13161	5.4
237.16385	1.5
245.11856	1.6
249.14644	1.3
251.18008	2.1
255.17426	3.5
257.15384	1.9
259.13385	1.4
269.19009	3.5
273.18481	3.1
277.14246	1.3
279.17566	2.4
287.20074	3.3
297.18512	8.9
315.19543	12.5
333.20599	100.0
334.20813	4.2
351.21573	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	333.206
Annotation	Ptilodene
Peak:m/z	Relative Intensity
51.02386	1.3
53.03931	8.6
55.01856	2.9
55.05506	8.1
56.96557	1.7
57.03432	1.6
57.07066	2.7
59.04982	1.6
65.03932	1.5
65.66879	1.3
67.05503	19.0
69.03412	5.8
69.07079	12.2
70.73243	3.5
71.04983	3.6
74.29447	1.3
75.67665	1.1
77.03925	1.6
79.05490	11.9
81.03418	29.7
81.06581	1.6
81.07059	26.4
83.04958	4.6
83.08607	4.7
85.02890	4.8
85.06532	3.4
86.09699	3.4
86.27170	1.2
87.04465	1.5
91.05477	12.1
93.07049	16.3
95.04956	6.0
95.08604	27.6
97.02894	4.4
97.06525	7.7
97.10164	1.5
98.97552	2.3
98.98457	13.7
99.08096	2.5
103.05473	1.6
105.07037	18.3
107.04926	2.3
107.08601	22.5
109.02883	100.0
109.06538	6.1
109.09454	2.4
109.10157	30.1
110.03191	1.4
111.04446	6.9
111.08076	4.0
113.06004	1.4
114.28981	1.2
117.07005	3.7
119.04952	2.6
119.08575	21.2
121.06506	3.6
121.10136	17.3
122.03642	2.3
123.04411	5.1
123.08060	5.7
123.11702	9.5
125.06022	1.7
125.09610	2.6
127.03919	15.5
127.11224	1.2
129.06955	2.0
131.04910	1.6
131.08562	5.3
133.06497	7.0
133.10121	17.0
134.99670	1.7
135.08044	10.7
135.11684	10.9
137.02368	1.4
137.05971	36.4
137.09615	4.9
137.13263	4.0
139.07578	2.9
142.07773	1.7
143.08549	4.8
145.10100	9.8
147.04398	7.9
147.08052	5.5
147.11646	6.3
149.05937	1.7
149.09590	4.9
151.03889	2.6
151.07539	38.4
151.11147	1.7
153.05565	1.3
153.06876	2.0
156.09349	1.7
157.10184	8.7
159.08066	4.0
159.11705	11.3
161.05946	2.0
161.09608	5.1
161.13257	4.3
163.03867	7.5
163.11185	5.7
163.14801	1.4
165.06989	2.4
165.09108	4.6
167.07059	35.8
167.08438	1.8
169.10094	3.1
171.08078	1.4
171.11696	7.5
173.09615	2.1
173.13260	5.9
175.11157	4.6
177.05446	2.2
177.09113	1.9
177.12776	1.7
179.10681	3.6
181.08603	1.6
181.10074	2.0
183.08003	2.2
183.11639	2.4
185.09612	2.8
185.13269	3.8
187.11148	6.0
187.14732	3.6
189.09108	4.1
191.10663	7.9
197.13255	3.2
199.11205	4.1
199.14862	3.4
201.12796	2.6
203.10655	1.5
203.14211	1.6
205.12227	2.3
205.15919	3.3
205.78174	1.6
207.10208	4.6
211.14789	2.5
213.09055	1.4
213.12715	3.9
215.14313	1.6
217.12157	2.0
219.13771	3.2
225.11183	3.0
227.07063	2.3
227.18044	1.5
229.12328	1.3
231.13768	2.3
237.16362	1.5
241.12112	1.7
241.19583	1.5
244.03688	1.8
244.09608	4.1
245.11462	1.5
253.16010	1.7
255.13777	1.7
255.17427	5.5
261.22125	3.1
269.19031	6.2
271.09650	1.9
271.16876	1.3
273.03928	15.9
273.18396	5.7
279.17325	2.6
279.23151	9.4
287.05484	5.4
287.19946	6.7
288.10019	18.9
297.18503	13.1
297.24152	1.6
303.12250	4.6
315.19565	27.1
333.13232	4.4
333.17474	2.0
333.20587	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.191
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03940	2.8
55.01868	3.6
55.05503	1.9
56.96560	5.3
57.03421	4.2
59.05000	2.4
59.79406	1.6
61.02913	7.2
67.05499	3.3
69.03432	13.0
69.07059	5.0
69.38123	1.6
70.87533	4.0
71.04993	26.3
72.08159	1.6
73.06535	3.0
79.05497	4.6
81.03411	5.1
81.07063	33.9
85.02912	43.3
85.06535	4.4
86.09707	8.0
87.04456	1.7
87.10033	3.6
91.03930	1.8
91.05493	3.2
93.07053	21.6
95.08595	6.1
97.02900	14.1
97.06535	3.4
98.97574	4.4
98.98472	28.1
99.04446	2.9
100.98882	1.9
105.07077	2.5
107.08597	15.7
107.94011	1.5
109.02839	4.8
109.10169	7.2
111.47191	1.5
116.98599	3.1
119.04984	2.8
121.06511	1.8
123.11697	11.0
127.03938	11.7
127.11205	3.5
130.44678	1.8
134.99680	1.8
135.11697	33.5
137.05965	9.8
141.12746	51.4
145.04959	7.7
147.04398	2.2
150.96861	1.9
153.12753	100.0
155.07098	2.1
155.14307	2.7
158.99631	1.7
160.46198	1.4
171.13805	70.5
176.98920	3.4
177.00702	1.4
189.04398	1.6
195.01836	2.4
207.05383	2.2
234.99048	3.0
237.02783	1.9
333.15121	2.9
333.19104	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03934	6.4
55.01853	4.8
55.05500	8.5
56.96558	2.1
57.03432	14.2
57.07077	25.5
59.04996	11.0
60.04525	3.2
61.02923	13.9
65.03938	1.9
67.05496	17.1
68.82082	2.1
69.03068	3.1
69.03425	31.0
69.06717	2.4
69.07069	21.3
69.50111	15.0
71.04993	16.8
72.08141	2.4
73.02904	6.6
79.05486	10.7
81.03412	14.8
81.07056	16.9
83.04956	3.9
83.08609	7.4
84.04444	2.6
84.08124	2.8
85.02899	100.0
85.06539	20.6
86.03224	2.1
86.09710	12.3
87.04462	4.3
87.10029	3.3
91.03963	6.6
91.05486	11.0
93.07029	20.5
95.04964	6.6
95.08605	73.5
97.02891	40.7
97.06516	8.4
98.97571	3.0
98.98456	17.8
99.04463	5.4
99.08091	16.4
103.03957	2.7
103.05480	2.6
103.87222	2.0
104.64835	1.9
105.07031	17.3
107.08599	28.4
109.02876	13.4
109.06503	14.1
109.10150	31.8
111.04421	6.1
111.08057	11.6
113.09639	88.3
115.03949	2.1
115.60904	1.8
116.98647	1.8
117.07006	4.2
119.08572	17.8
120.08096	2.9
121.06537	3.1
121.10112	6.2
123.04465	2.1
123.11653	2.4
127.03918	25.2
127.11198	40.8
128.06172	2.0
131.08514	6.4
133.06483	6.3
133.10117	11.7
135.08023	5.3
135.11679	21.1
137.05969	8.5
137.09602	4.3
137.13248	6.5
143.08554	3.7
145.04939	25.3
145.10092	5.2
146.06087	4.5
147.08011	3.1
147.11650	4.6
149.09575	3.3
151.11156	5.0
153.11499	4.8
153.12738	85.6
155.08566	2.5
155.14304	14.4
157.10097	6.0
159.11662	6.1
161.09598	4.8
163.03833	3.1
163.11143	2.0
167.07037	5.8
169.10110	2.4
169.12219	6.0
171.11635	3.4
171.13818	61.7
173.13031	3.3
174.13113	2.5
175.11201	2.8
175.14761	2.8
177.12758	3.2
185.13196	3.5
188.07059	8.3
195.11742	2.4
207.10074	2.6
213.14781	5.4
226.11032	2.9
237.02760	2.2
241.19476	3.6
269.19086	3.4
270.09952	2.6
287.05893	2.2
287.20074	2.5
288.09763	2.0
297.18381	3.5
301.11740	12.3
303.04953	5.5
309.97849	2.0
315.19543	13.6
332.16678	1.9
333.14203	5.5
333.20865	19.3
334.20950	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	Rosiridin
Peak:m/z	Relative Intensity
53.03949	1.7
55.05511	3.9
56.96576	1.2
57.07076	2.2
59.04996	2.7
67.05502	10.9
69.03440	5.6
69.07069	12.7
71.04992	10.2
71.58887	1.3
71.59293	1.5
73.06561	3.2
79.05501	12.2
81.03416	2.8
81.07060	51.3
83.04980	2.6
83.08625	3.0
85.02906	3.0
85.06554	2.5
91.05489	7.1
93.07053	17.8
95.04967	2.3
95.08610	24.8
96.08939	2.0
97.02906	4.6
97.06527	4.3
98.98495	6.5
99.05581	4.0
99.08093	2.9
103.05486	1.5
105.07040	11.8
107.04974	2.1
107.08598	17.9
109.02868	5.7
109.06531	4.3
109.10165	13.9
111.04458	4.6
111.08089	2.0
117.07047	2.2
118.92141	1.3
119.08593	14.5
121.06539	3.3
121.10156	8.1
123.04433	1.3
123.08078	4.6
123.11720	2.2
125.05939	1.4
125.09571	1.3
127.03912	1.6
128.06178	1.2
129.07060	1.5
131.08572	4.8
133.06520	4.6
133.10130	8.2
135.08066	9.4
135.11696	15.6
136.93117	11.5
137.05988	17.9
137.09602	2.7
137.13269	8.5
139.07501	2.0
142.07788	1.4
143.08569	4.1
145.02823	1.7
145.10120	7.4
147.04417	2.1
147.08102	3.2
147.11739	4.5
149.06067	1.6
149.09666	3.6
149.13277	1.5
151.07486	5.6
153.12753	58.3
154.13133	1.5
154.94171	37.6
155.08438	1.2
156.09364	1.6
156.84442	1.1
157.10080	6.0
159.08020	1.3
159.11714	4.9
161.09621	2.3
161.13301	3.3
163.11200	2.6
165.09111	2.1
165.12761	1.1
167.07048	19.4
168.07465	1.4
169.10176	3.1
171.11691	5.3
172.95242	99.6
173.09651	2.6
173.13301	3.5
175.11177	2.9
175.14822	1.3
176.98944	1.2
177.05463	2.7
179.10757	1.6
183.02899	5.3
183.08124	1.2
183.11661	1.5
185.09570	2.4
185.13306	3.0
187.11159	3.6
187.14876	2.7
189.12776	1.5
190.96291	59.8
191.10815	1.7
193.12219	1.7
195.11754	1.4
195.96817	6.9
197.13248	1.2
199.11180	2.6
201.12776	1.7
203.14391	2.2
205.12234	2.6
207.10138	2.0
207.11839	1.3
208.97311	2.0
213.12675	2.3
213.97908	4.2
214.96356	4.1
217.12320	1.7
219.13808	3.4
223.00491	1.4
225.16226	1.1
227.06975	1.6
231.13783	6.0
232.97386	3.8
241.01646	1.5
241.12340	1.7
247.16937	1.2
249.14830	2.5
251.17966	1.7
255.17371	2.6
261.05658	2.1
269.19104	3.2
273.05795	8.5
273.18558	2.4
279.06784	3.0
279.17526	1.5
287.05475	4.1
287.20114	2.3
288.09824	9.6
291.06696	100.0
292.07135	6.6
297.18536	7.3
303.12357	1.4
309.07748	33.8
310.07980	2.4
314.08356	10.7
315.19513	10.8
315.22754	1.7
332.09207	1.5
333.09705	3.8
333.16531	1.4
333.20413	16.7
333.87836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
51.53195	6.3
53.50552	6.2
55.01868	8.6
55.05501	17.8
55.24950	5.7
56.19950	6.8
57.03424	16.7
57.07068	15.3
59.04981	8.5
61.02931	11.3
62.14857	7.6
67.05497	10.8
69.03407	28.1
69.07069	15.3
70.73117	18.2
70.73440	7.8
71.04996	41.6
73.02916	14.1
76.88387	6.5
79.05491	13.8
80.74707	6.6
81.07047	44.5
85.02911	86.4
85.06514	10.5
91.05457	21.4
93.07034	46.2
95.04939	11.4
95.08593	30.7
97.02894	21.9
97.06514	15.4
98.98477	9.9
105.07036	31.0
107.08575	48.8
109.06500	14.9
109.10168	10.2
111.08082	10.3
115.03880	16.4
117.07010	10.1
119.08575	32.2
119.33190	6.6
121.10157	7.5
123.08073	7.6
127.03901	12.8
131.08484	7.8
133.04945	22.6
135.11668	30.2
137.13217	12.9
141.12732	9.7
145.04953	10.2
145.10094	12.9
147.08041	9.9
153.12750	100.0
159.11714	10.2
165.12752	67.8
166.62920	7.3
171.13806	20.3
173.09647	12.8
173.13181	9.1
175.07567	6.8
177.12833	12.0
207.13858	7.7
219.13762	16.1
261.14816	17.4
279.15707	14.1
309.64499	7.6
315.18030	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1907
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03957	5.7
54.74026	3.3
55.01864	9.6
55.05512	15.3
56.96557	4.9
57.03424	8.2
57.07065	9.4
59.04977	6.1
61.02915	8.0
62.90487	3.4
67.05499	17.1
69.03429	22.4
69.07064	16.2
70.06586	8.2
71.04989	39.1
71.57632	3.7
72.08150	6.9
73.02917	7.3
73.06548	3.6
79.05492	17.9
81.03403	11.3
81.07058	44.7
83.04961	5.8
83.08622	7.1
84.08104	3.9
85.02905	80.5
85.06545	13.9
86.09699	11.3
87.10023	3.7
87.10549	3.1
91.05471	25.5
93.07043	41.6
95.04977	8.0
95.08600	24.2
97.02888	23.4
97.06509	12.3
98.98466	36.2
99.04427	4.7
103.03909	4.8
105.07027	43.6
107.04955	6.9
107.08591	43.1
109.02868	9.4
109.06503	9.9
109.10160	39.3
111.04464	4.4
111.08057	4.9
115.03892	6.0
116.07095	7.0
117.03430	3.1
117.07027	9.4
119.04932	4.2
119.08562	29.3
120.08108	6.7
121.06469	7.2
121.10122	12.2
123.08047	8.1
123.11729	17.6
124.72341	3.3
127.03896	17.4
128.06232	3.6
129.06998	7.5
129.10265	3.5
130.07840	2.9
131.08565	17.8
133.05000	4.1
133.06490	10.4
133.10109	17.2
135.08047	9.5
135.11691	37.1
137.05994	15.0
137.09590	5.9
137.13228	6.2
141.12750	31.9
142.07829	3.2
143.08551	10.3
145.04948	10.7
145.06430	3.3
145.10147	13.9
147.04408	4.6
147.08061	17.9
147.11676	6.8
149.05951	3.0
149.09633	6.6
151.11130	10.0
153.12738	100.0
155.14282	4.9
157.10106	6.5
159.08032	8.0
159.11662	7.1
161.09633	6.6
163.11209	4.6
165.09067	4.8
165.12720	14.8
167.07091	20.8
167.08377	3.4
169.10214	5.1
171.08040	3.4
171.11591	5.6
171.13817	48.4
173.09616	12.6
173.13251	9.2
175.07552	7.0
176.98944	7.3
177.05507	4.9
177.12683	9.1
183.08194	3.6
183.11673	5.7
185.13205	4.9
187.11130	5.0
189.09047	4.4
189.12769	5.4
191.10582	5.0
201.12633	4.3
203.37968	3.5
207.10162	3.6
207.13861	3.6
219.13768	5.6
225.11057	4.1
225.16284	3.5
231.13756	8.6
241.19527	6.5
243.13771	5.8
243.17421	6.6
261.14874	9.3
269.19003	9.2
271.16882	5.9
273.03738	7.1
279.15979	8.9
287.05447	6.8
287.20108	10.2
297.17123	9.7
315.19250	18.1
333.20691	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03445	0.5
55.01830	0.6
55.05479	0.9
56.05038	4.6
57.05788	1.4
59.06113	0.6
60.05603	2.9
65.03927	0.5
66.59867	0.5
67.05453	2.1
69.03405	1.4
69.04500	1.5
69.07022	1.8
69.33598	4.6
70.06544	2.1
71.04976	0.9
77.77129	0.4
79.05440	1.9
81.03366	0.7
81.06999	2.0
83.06110	2.8
83.08595	0.8
84.04456	0.6
85.02864	1.0
91.05435	2.2
93.07037	2.3
95.04910	1.4
95.06049	2.1
95.08607	3.0
97.02885	1.1
97.03989	0.5
97.07618	0.6
98.21469	0.8
98.97549	0.4
98.98460	2.9
99.08027	1.8
105.03354	1.4
105.05781	0.7
105.07025	3.4
106.06570	0.5
107.04926	0.6
107.08592	2.3
109.02860	1.3
109.06441	0.8
109.10171	3.6
111.04408	0.9
111.05566	8.5
112.05062	0.8
112.08727	1.2
113.07135	4.0
113.09480	0.5
117.07003	0.5
119.08602	3.5
120.04482	4.2
121.06480	0.7
121.10117	1.7
123.05514	1.4
123.08027	1.2
124.04998	0.6
125.05920	0.7
126.05876	0.5
126.06645	4.2
127.03858	1.4
127.07392	1.1
130.06474	1.1
131.04904	0.6
131.08496	0.6
132.03484	1.0
132.04462	14.6
133.04822	0.5
133.06439	0.8
133.10139	2.5
134.06018	4.9
135.07994	1.9
135.11636	1.4
137.02309	0.8
137.04697	0.9
137.05913	2.0
138.06306	0.7
140.08212	2.7
143.08574	0.8
145.10075	1.8
147.11664	1.5
149.06004	0.6
149.07141	0.5
149.09575	1.0
151.06175	6.1
151.07335	0.9
151.62662	0.5
153.12761	0.6
157.10077	1.1
158.06056	0.6
159.11652	1.4
162.05461	2.7
164.07071	8.1
165.07010	0.6
167.07005	2.3
168.08977	0.5
171.11623	0.8
173.09514	0.7
176.07076	0.8
179.08167	0.9
185.13214	0.8
187.11127	0.7
187.14839	1.1
188.07187	0.6
190.08675	1.0
193.12242	0.7
202.09741	7.1
203.08133	1.5
216.11220	0.7
217.09740	5.4
230.09230	6.1
232.10876	3.6
242.09158	2.9
245.09242	27.1
246.09558	0.9
247.10759	1.1
248.13879	0.9
252.09415	1.2
253.15707	0.5
257.10336	5.7
259.11923	48.3
260.10095	0.9
260.12567	0.9
269.19049	0.9
273.03934	1.8
274.11926	2.2
284.11365	4.1
288.09998	1.2
291.14529	83.0
292.14865	2.9
297.18561	1.0
301.14160	1.7
302.12491	49.3
303.12830	2.7
315.19586	1.7
316.13986	3.9
333.16727	100.0
333.20291	4.9
334.16962	5.6
341.50421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.05520	2.1
56.05033	5.5
57.07099	0.8
59.05602	0.8
60.05648	3.9
67.05495	4.2
69.03423	3.7
69.04561	1.8
70.06586	3.2
71.04996	1.6
71.60217	0.9
71.60620	1.7
79.05504	3.5
81.03423	2.9
81.07079	4.8
83.04979	1.4
83.06099	3.5
83.08599	1.4
85.02908	4.0
85.06558	1.3
91.05495	5.3
91.06042	0.8
93.07050	5.9
95.04980	1.8
95.06091	1.5
95.08603	4.7
97.02904	4.1
97.06508	1.1
98.98480	8.4
103.05476	1.1
105.07039	5.6
107.04963	1.8
107.08583	6.8
109.02883	3.3
109.06535	1.7
109.10159	5.6
111.04448	2.4
111.05582	7.7
111.63953	0.9
113.07143	4.8
115.05454	1.1
117.07043	3.1
119.08592	3.9
120.04491	3.5
121.06512	1.8
121.10180	2.3
123.04419	1.3
123.08067	1.7
126.06673	3.9
127.03906	2.5
127.07458	2.2
129.07040	1.1
131.04912	2.5
131.07466	1.1
131.08551	2.2
132.04472	14.5
132.05435	1.8
133.06503	2.5
133.10127	4.1
134.06044	4.9
135.08096	1.8
135.11670	2.0
137.05057	1.3
137.05965	6.4
137.09624	1.5
140.08205	1.6
145.10150	2.6
147.08075	1.4
147.11700	2.3
149.09618	1.4
151.06187	6.0
151.07420	1.8
151.11177	1.2
153.05492	1.8
153.12762	2.6
157.10083	1.7
158.10361	1.0
159.11687	2.6
161.09674	1.1
162.05537	2.6
163.11229	1.0
164.07066	8.3
167.07098	5.8
167.08383	1.2
171.11739	1.6
171.13750	1.8
173.13242	1.7
179.08296	1.9
183.11815	1.2
187.03844	1.0
190.08556	1.7
202.09830	7.6
203.08200	1.3
215.08176	1.1
216.11392	1.5
217.09796	5.6
217.11632	0.9
229.04959	2.5
230.09267	5.3
232.10837	2.4
242.09320	2.6
245.09245	24.0
246.09404	1.1
251.59193	1.3
257.10287	5.6
259.11932	43.7
260.10165	1.6
274.11975	1.8
284.11530	3.1
287.05533	1.7
287.20114	2.2
288.09955	2.3
291.14532	74.1
292.14853	3.9
297.18573	2.6
301.14291	1.4
302.12497	47.0
303.12683	3.1
315.19608	3.8
316.14014	2.0
333.16760	100.0
333.20560	8.1
334.17178	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	333.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
55.05507	0.7
55.13699	0.3
56.96568	0.6
59.04971	0.5
67.05495	0.9
69.03419	0.8
69.07055	0.6
70.06579	0.3
71.05001	0.5
71.16717	0.9
74.06065	0.3
79.05487	1.0
81.03387	0.3
81.07065	0.9
83.04986	0.4
83.06099	0.9
83.08609	0.4
84.04520	0.3
85.02898	1.3
86.09719	2.0
87.10046	0.5
91.05505	1.6
93.07052	1.7
95.04989	0.6
95.08607	1.4
96.04503	0.6
97.02908	0.6
97.06522	0.3
98.97568	0.4
98.97799	0.4
98.98479	5.1
99.04517	0.3
100.98877	0.4
101.04399	0.3
103.00684	0.3
105.07038	1.5
107.04951	0.4
107.08610	2.1
109.10152	2.3
116.98551	0.3
116.99506	0.3
117.06921	0.3
119.04967	0.6
119.08595	2.1
120.08181	0.3
121.06552	0.3
121.10125	0.6
123.08080	0.5
124.07557	0.4
125.07927	0.4
125.09694	0.3
127.03894	0.7
131.04861	0.3
133.06505	0.5
133.10133	1.1
133.14554	0.3
135.04440	0.7
135.08055	0.5
135.11746	0.5
136.04773	0.8
137.05933	0.7
145.06529	0.4
145.10135	0.8
146.05978	0.5
147.04424	1.3
147.08051	0.6
147.11697	0.4
154.05902	0.3
155.08543	0.4
156.97478	0.5
157.13332	0.5
158.13699	0.6
159.07973	0.4
161.09633	0.3
162.05518	0.4
167.06985	0.4
171.08073	0.3
171.08627	0.3
171.09964	2.8
173.05988	0.4
173.13246	0.4
174.98503	0.7
176.98944	0.7
177.00623	0.4
179.10658	0.3
188.07030	0.8
213.09222	0.3
225.11214	0.3
229.08664	0.6
237.02863	0.4
287.10056	0.4
291.08389	2.5
297.18448	0.5
309.09357	0.8
315.19574	0.9
332.54065	0.3
333.15222	100.0
334.11679	0.6
334.15561	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	333.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94226	0.5
53.03945	3.6
55.05508	12.1
57.07072	1.3
61.93931	0.4
62.68038	0.4
65.03942	0.7
67.05492	2.1
69.07076	1.5
70.91514	1.3
71.04977	2.1
77.03927	0.7
78.19815	0.5
79.05493	7.3
81.03419	6.2
81.07055	4.2
83.04979	11.3
85.02939	0.4
91.05481	14.0
93.07040	100.0
94.07355	1.2
95.04969	3.1
95.08616	1.4
97.06515	0.8
98.98467	1.6
105.07034	5.0
107.08591	51.9
108.08864	0.6
109.02877	26.5
109.06510	2.0
109.10128	1.7
119.06111	0.8
119.08579	3.4
121.10134	0.9
123.11670	0.8
127.03920	1.9
133.06488	0.6
133.10144	1.3
135.11687	91.0
136.11995	1.3
137.09586	0.6
145.10103	0.6
153.12737	10.7
157.10152	1.1
161.09558	0.7
176.98938	0.6
180.30170	0.5
182.39915	0.5
233.09315	4.1
239.33244	0.5
251.10487	3.2
269.19186	0.7
273.18378	0.5
287.20123	0.9
315.19470	1.0
325.49976	0.5
333.14407	1.9
333.20486	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	333.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87862	0.2
51.02386	0.5
53.03944	2.1
55.05507	12.3
57.07065	1.3
60.04523	0.4
65.03953	0.3
67.05499	2.0
69.07070	2.0
69.54291	2.3
70.07722	0.3
71.04982	1.5
77.03910	0.6
79.05488	8.0
81.03413	3.7
81.07054	3.9
83.04978	12.2
90.70851	0.3
91.05473	14.8
91.91915	0.2
92.05790	0.4
93.07038	100.0
94.07374	1.1
95.04958	3.3
95.08598	1.7
97.06533	0.7
98.98479	1.1
101.00630	0.3
105.04517	0.8
105.07023	5.8
107.08589	52.5
107.39742	0.2
108.08885	0.5
109.02876	11.3
109.06532	2.5
109.10138	1.8
111.04440	0.5
111.08076	0.4
117.06997	0.6
119.06062	0.6
119.08578	4.0
120.09377	0.7
121.10159	0.8
123.08045	0.3
123.11691	0.9
127.03910	0.6
131.08585	0.4
133.06516	0.7
133.10147	1.7
135.11684	89.3
136.11995	1.4
137.06055	0.3
137.09624	0.4
143.08499	0.3
145.10121	0.6
146.66267	0.3
149.09636	0.4
151.07597	0.3
153.11493	0.6
153.12743	9.1
157.10144	0.5
159.11705	0.5
163.11145	0.3
168.62512	0.3
171.11711	0.5
173.13335	0.5
187.11215	0.5
189.09085	0.3
233.09366	4.1
251.10442	3.9
269.18912	0.3
273.18478	0.4
287.19910	0.6
287.90359	0.3
297.18518	0.9
315.19608	1.7
333.14590	1.8
333.20575	3.8
333.24225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.3
53.03944	5.0
55.05517	0.5
59.04982	0.1
67.05508	1.4
69.03426	0.6
69.07076	0.7
69.07408	0.1
70.81785	0.1
70.82114	0.3
71.04990	0.3
79.05489	0.8
81.03419	29.8
81.07052	1.6
82.03747	0.4
83.04964	0.5
83.08606	0.2
88.68977	0.1
91.05490	1.0
93.07061	1.7
95.04967	0.3
95.08607	2.7
97.02879	0.5
97.06544	1.1
98.98479	0.4
99.08092	0.3
105.07040	2.2
107.04946	0.2
107.08607	1.9
109.02882	100.0
109.06492	0.7
109.10159	2.9
110.03187	0.8
111.04424	1.1
111.08089	0.3
113.06043	0.2
117.07022	0.4
119.08590	2.5
121.06512	0.5
121.10143	1.1
123.08099	0.4
123.11718	0.6
127.03920	6.9
128.06229	0.2
129.07002	0.3
131.08548	1.0
133.06500	1.0
133.10127	1.8
133.39372	0.1
135.08054	0.5
135.11682	0.7
137.09596	0.3
141.06958	0.2
142.07813	0.2
143.08574	0.7
144.09343	0.2
145.06474	0.2
145.10118	1.1
147.08044	0.9
147.11717	0.5
149.09621	0.4
151.07568	0.3
155.08585	0.2
157.10127	1.0
159.08041	0.3
159.11713	1.0
161.09578	1.0
161.13269	0.2
163.07538	0.3
163.11139	0.3
165.09129	0.7
167.08508	0.2
169.10172	0.3
171.11729	0.4
173.09637	0.4
173.13254	0.6
175.11177	0.3
175.14841	0.2
177.09102	0.2
179.10751	0.7
181.10089	0.3
185.09679	0.3
185.13287	0.4
187.11150	0.7
189.09081	0.6
191.10606	0.3
195.11732	0.3
197.13202	0.2
199.11142	0.2
199.14815	0.3
201.12712	0.4
203.10640	0.2
207.10147	0.7
209.13222	0.2
211.14966	0.2
213.12752	0.2
215.10768	0.2
215.14149	0.2
217.12190	0.3
219.13799	0.8
225.11125	0.3
227.10663	0.2
231.10159	0.2
231.13902	0.2
237.12686	0.2
237.16376	0.2
241.12289	0.2
245.11618	0.2
251.17986	0.3
255.13799	0.2
255.17331	0.4
269.19061	0.8
273.18484	0.5
279.17365	0.3
287.20065	0.7
297.18582	1.3
315.19525	2.9
333.13809	1.1
333.20538	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	333.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02384	0.3
52.03150	0.2
53.03700	0.2
53.03945	3.5
55.01855	0.2
55.05510	0.7
59.04988	0.1
64.25581	0.1
65.03925	0.1
66.69695	0.1
67.05502	1.5
67.24620	0.1
69.03432	0.5
69.07077	0.8
71.05003	0.2
79.05502	0.8
81.03417	27.8
81.07059	1.5
82.03742	0.2
83.04960	0.5
83.08636	0.3
85.06536	0.2
85.28560	0.1
91.05470	1.0
93.07051	1.7
95.04965	0.3
95.08040	0.2
95.08613	2.3
97.02907	0.5
97.06540	1.2
98.98470	0.5
99.08090	0.2
105.07029	1.9
107.04942	0.3
107.08593	1.9
109.02880	100.0
109.06507	0.8
109.10149	2.7
110.03206	1.1
111.04430	1.1
111.08098	0.3
113.05982	0.2
115.05449	0.1
115.07488	0.1
117.07027	0.4
119.04930	0.1
119.07785	0.2
119.08585	2.9
121.06486	0.2
121.10149	1.0
123.04474	0.1
123.08086	0.6
123.11753	0.5
125.06034	0.2
127.03920	6.8
128.04308	0.2
128.06229	0.1
131.08571	0.8
133.06488	1.0
133.10133	1.8
135.08041	0.6
135.11719	0.6
137.05971	0.3
137.09613	0.2
137.13258	0.2
139.07509	0.1
141.09079	0.1
142.07790	0.2
143.08569	0.7
145.06473	0.2
145.10153	1.0
147.08070	0.8
147.11679	0.3
149.06084	0.1
149.09630	0.3
151.07527	0.4
151.11194	0.2
153.09076	0.1
155.08665	0.1
156.09343	0.2
157.10146	0.9
158.10960	0.2
159.08041	0.3
159.11691	1.1
161.09581	1.0
161.13293	0.4
163.07535	0.3
163.11217	0.5
165.07028	0.1
165.09084	0.8
167.08554	0.2
169.10114	0.3
171.08083	0.1
171.11687	0.6
173.09674	0.5
173.13290	0.6
175.11183	0.3
175.14803	0.3
177.09103	0.2
177.12733	0.2
178.18932	0.1
179.10689	0.7
181.10204	0.2
183.11703	0.2
185.09673	0.5
185.13263	0.4
187.11212	0.7
187.14839	0.2
189.09102	0.6
189.12796	0.2
191.10645	0.2
195.11710	0.3
197.13213	0.2
199.11211	0.4
199.14821	0.5
201.12747	0.5
203.10760	0.2
205.12331	0.2
207.10066	0.6
211.14842	0.2
213.12852	0.3
213.16360	0.2
215.10616	0.2
215.14374	0.2
217.12280	0.2
219.13766	0.7
223.11206	0.2
225.11148	0.5
227.10666	0.2
227.17972	0.2
229.16078	0.1
231.10124	0.2
237.12837	0.3
237.16351	0.3
241.12166	0.3
241.19664	0.1
245.11830	0.1
245.15437	0.1
251.17998	0.3
255.13878	0.1
255.17410	0.4
259.13376	0.2
269.11716	0.1
269.18997	0.6
273.15604	0.1
273.18362	0.6
279.17419	0.4
287.13019	0.1
287.16629	0.2
287.20071	0.6
289.18027	0.1
297.11313	0.2
297.18481	1.5
303.12811	0.1
315.12241	0.2
315.19577	2.8
333.13654	1.2
333.20508	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60926	0.4
55.01842	0.6
55.05475	1.6
56.05021	1.2
57.05783	0.6
57.07032	0.7
59.04969	0.8
60.05619	1.1
64.21120	0.5
67.05499	2.4
68.99749	2.0
69.03415	1.2
69.04556	0.5
69.07044	1.4
69.68818	1.6
69.69255	2.1
70.06551	2.0
70.94647	0.5
71.04951	0.8
75.63996	0.4
79.05484	2.5
81.03396	2.6
81.07047	2.7
83.06020	0.6
83.08585	1.0
85.02870	1.1
85.03366	0.4
85.06509	0.5
91.05464	2.6
93.07040	4.2
95.04952	0.7
95.06065	0.9
95.08588	2.9
97.02843	1.3
97.06477	2.0
97.10115	0.8
98.20834	0.9
98.98459	2.4
99.08096	7.7
105.07033	5.6
105.47931	0.5
107.04891	0.5
107.08588	5.7
109.02834	2.0
109.06484	1.2
109.10129	3.1
111.00739	0.6
111.04377	0.5
111.05567	2.8
111.08042	1.0
112.08629	0.5
113.07117	1.2
115.05421	0.7
119.08579	3.6
120.04448	1.6
121.06448	0.9
121.10117	3.7
123.05500	0.6
123.08035	1.9
123.11638	0.6
125.09606	0.9
126.06591	1.3
127.03868	2.0
127.07405	0.5
131.08507	2.1
132.04453	4.1
132.08841	0.6
133.06479	0.9
133.10103	2.3
134.06000	1.5
135.08046	3.1
135.11649	1.7
137.02341	59.5
137.03387	3.8
137.05922	1.4
137.09590	0.6
138.02667	0.6
139.03838	1.6
140.08170	0.7
143.08633	0.8
145.10074	1.3
147.04311	0.7
147.08034	0.9
147.11653	2.3
149.09569	2.1
151.06137	2.0
151.11111	0.7
153.01808	1.7
153.12689	1.1
157.10045	0.9
159.11667	1.0
161.09576	0.6
163.11122	0.7
164.07048	2.6
165.01793	0.8
165.12785	1.3
167.03352	0.7
168.10136	1.1
171.04449	1.1
173.09549	0.5
173.13159	0.9
175.11116	1.7
177.05470	0.9
178.81018	0.6
181.01381	0.8
181.12207	0.6
187.11203	0.8
189.05414	1.9
189.11156	1.0
193.12263	4.3
199.03938	1.0
201.09073	0.7
202.09723	2.3
203.03357	1.4
209.00801	0.8
211.13275	0.9
213.12497	0.5
217.04919	1.2
217.09709	1.9
223.02371	2.5
227.03378	5.1
230.09280	2.2
232.10858	0.7
242.09134	1.0
245.04587	5.1
245.09218	8.4
255.02820	4.7
257.10336	1.4
259.11896	16.3
269.19064	0.7
273.03931	100.0
274.04367	3.7
274.11920	0.7
277.06897	0.6
284.11520	1.2
287.05368	0.7
288.09940	0.7
291.14511	27.7
301.03409	3.3
301.14029	1.2
302.12473	15.1
303.05029	0.7
315.19522	1.1
316.13882	0.8
318.03629	1.3
332.22272	1.3
333.06039	15.1
333.16687	34.8
333.22842	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	333.0606
Annotation	Vaccaxanthone
Peak:m/z	Relative Intensity
55.05508	0.4
66.03088	0.2
67.05492	0.6
68.99796	2.1
69.07041	0.3
70.84947	0.6
71.01353	0.2
79.05488	0.4
80.88795	0.2
81.03404	0.8
81.07034	0.8
83.04945	0.3
85.82817	0.2
91.05472	0.9
93.07039	0.6
95.04947	0.4
95.08595	0.9
97.02873	0.3
97.06538	0.4
98.98454	0.8
99.08087	0.2
103.05475	0.2
105.07057	1.0
107.04952	0.3
107.08607	0.9
109.02868	0.8
109.10151	0.8
111.04446	0.3
111.08062	0.2
115.05465	0.6
117.06998	0.4
119.04911	0.3
119.08544	1.0
121.06483	0.4
121.10161	0.9
123.04391	0.2
127.03905	0.9
130.06511	0.2
131.04903	0.8
131.08549	0.4
131.74664	0.2
133.06468	0.4
133.10141	0.6
135.08043	1.1
135.11697	0.5
137.02351	20.0
137.03398	1.2
137.05946	1.2
138.02698	0.4
143.04884	0.3
143.08539	0.5
145.02861	0.3
145.10112	0.4
147.04387	0.9
147.11720	0.4
147.13506	0.2
149.09634	0.5
151.03885	0.2
151.07593	0.4
154.94092	0.2
156.09286	0.2
157.10086	0.3
159.11708	0.4
161.02322	0.3
161.06003	0.5
161.09500	0.2
161.13281	0.3
163.00232	0.4
163.11150	0.3
167.07069	0.9
168.78725	0.2
171.04436	1.5
171.11725	0.4
172.95282	0.5
173.13264	0.4
175.03893	0.5
175.14796	0.2
176.98903	0.2
177.05482	1.3
181.01292	0.5
187.11203	0.3
189.05450	1.5
190.96402	0.3
199.03903	1.2
203.03389	1.1
209.00856	1.2
213.12897	0.2
217.05016	1.4
217.12296	0.2
223.02380	2.7
227.03410	5.6
228.04173	0.3
231.02936	0.4
231.13638	0.2
245.04477	5.3
245.92567	0.2
255.02892	4.7
256.03619	0.8
258.11026	0.4
266.14307	0.2
269.19101	0.4
273.03940	100.0
274.04330	4.2
283.02484	0.3
287.05551	0.6
287.19962	0.4
288.10052	0.4
291.06754	0.7
297.18588	0.4
301.03421	1.6
315.19571	1.0
333.06082	5.5
333.09656	0.3
333.20599	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0603
Annotation	Quercetagetin 4'-methyl ether
Peak:m/z	Relative Intensity
50.69123	0.4
51.47964	0.5
53.03905	0.7
55.01835	0.7
55.05455	1.8
56.04984	2.0
57.05790	0.6
57.07026	1.2
60.05602	1.0
65.03908	0.5
67.05508	3.0
68.99731	1.6
69.03390	1.1
69.07066	3.0
69.37452	0.4
70.06534	2.0
70.18801	1.5
71.01306	0.6
71.04945	0.5
79.05489	2.8
81.03416	3.4
81.07043	4.1
83.04949	0.8
83.06064	0.9
83.08575	1.0
85.02832	1.8
91.05474	3.8
93.07032	4.4
95.04942	0.8
95.06029	1.0
95.08603	3.3
97.02827	1.3
97.06468	2.0
97.10145	1.1
98.98470	2.9
99.08089	10.2
105.03345	0.8
105.07036	6.3
105.12394	0.5
107.04903	1.1
107.08590	5.5
109.02811	1.7
109.06453	2.0
109.10151	4.4
111.04375	1.8
111.05560	2.4
111.08054	1.0
112.08641	0.5
113.07072	1.8
115.05364	0.5
117.06984	0.7
119.08575	7.5
120.04399	1.3
121.06465	1.2
121.10152	4.7
123.07995	1.7
123.11654	0.8
125.05946	0.8
125.09545	0.6
126.06579	1.6
127.03915	3.3
127.07402	0.6
129.06963	0.5
131.08507	1.3
132.04445	5.2
132.07986	0.6
133.06477	2.7
133.10114	4.2
134.05948	1.5
135.08064	3.9
135.11649	1.3
137.02341	55.9
137.03383	4.2
137.05902	1.2
137.09540	0.8
137.13179	0.7
138.02599	0.7
139.03839	1.5
139.07494	0.9
143.08546	0.7
145.10060	2.0
147.04298	1.1
147.07976	1.2
147.11688	3.4
149.09610	3.0
149.13145	0.6
151.06160	3.6
151.07336	0.8
151.11031	0.6
153.01765	2.0
153.12672	1.4
157.10094	1.3
159.11656	1.8
161.05972	0.9
161.09637	0.7
162.05347	0.8
163.11139	0.6
164.07108	3.1
165.09079	0.9
165.12759	1.3
167.03290	0.5
167.06999	0.7
168.10159	1.4
169.10278	0.6
171.04355	1.0
171.11636	0.9
173.09546	1.7
173.13231	1.2
175.03787	0.6
175.11153	1.3
177.05414	0.7
179.10722	0.5
181.12260	0.7
183.11757	0.6
185.13112	0.6
187.11130	0.9
189.05489	1.3
189.11200	1.0
190.08540	0.5
193.12222	3.9
199.03893	0.8
199.11235	0.5
201.09033	0.9
202.09720	2.5
203.03389	1.3
207.10089	0.5
209.00943	0.9
210.01338	0.6
211.13208	1.1
217.04909	1.2
217.09703	2.1
223.02390	2.8
227.03386	5.7
230.09267	2.2
231.02847	0.6
232.10789	0.7
242.09155	1.1
245.04453	4.8
245.09218	7.7
255.02876	4.3
256.03519	0.8
257.10242	1.6
259.11884	17.4
273.03931	100.0
274.04337	3.3
274.11761	0.6
283.02319	0.7
284.11450	1.6
287.05341	0.7
291.14502	28.4
297.18494	1.1
301.03351	2.3
301.13885	0.6
302.12460	17.9
303.05066	0.8
315.19666	2.7
316.14008	1.3
318.03687	1.2
332.22235	2.0
333.06064	13.9
333.16711	37.0
333.22430	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	332.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01363	0.3
55.05520	2.1
58.99570	0.6
59.04996	0.4
60.04522	3.6
67.05512	2.1
68.05012	0.5
69.03420	0.9
69.07072	3.1
70.06583	3.3
70.71242	1.2
71.04983	2.3
74.00674	0.5
76.02229	0.7
79.05496	5.1
81.03427	0.4
81.07061	5.7
82.07389	0.5
83.04976	2.1
84.04500	1.2
85.02916	3.4
86.03230	0.5
86.09704	16.0
87.05601	1.7
88.04012	1.0
91.05480	11.8
93.07048	4.3
94.06573	1.8
95.04971	5.0
95.08615	1.1
96.08132	0.7
97.02876	0.8
97.06524	0.8
98.06026	0.4
98.98469	4.5
100.07628	1.6
105.07034	17.4
106.06547	2.3
106.07302	0.7
107.04955	0.6
107.07350	0.9
107.08587	4.7
108.08122	1.0
108.08923	0.6
109.02811	0.4
109.06513	2.9
109.10145	1.7
110.10470	0.7
111.08071	0.4
114.05498	1.1
116.07084	0.4
117.07001	0.5
119.04985	0.4
119.07805	0.4
119.08584	4.9
120.08109	2.2
120.08825	0.4
121.06542	0.6
121.08853	0.6
121.10139	1.6
122.02728	3.5
122.09663	1.6
123.08114	0.7
123.11726	0.9
124.12010	0.6
125.05991	1.3
127.03911	0.8
128.07071	2.3
128.10719	1.4
129.01822	0.3
129.07007	0.6
130.05002	1.1
131.08565	5.7
132.10199	1.0
133.06526	0.8
133.08960	1.7
133.10129	39.0
134.09598	1.9
134.10501	1.4
137.05969	2.2
139.03922	0.6
143.08536	0.7
145.10110	0.9
146.09604	0.7
147.07742	0.5
147.11679	8.4
148.11208	16.1
149.09563	0.6
149.12003	2.8
151.07549	2.0
151.11198	6.3
152.07060	1.0
152.11526	1.6
153.01813	0.5
154.55685	0.4
155.07033	1.6
157.10129	0.9
161.09679	0.8
163.03862	0.4
164.07076	0.4
165.12799	0.8
166.08566	0.4
166.12265	1.0
168.10210	0.7
173.12865	17.7
175.11183	4.5
178.08640	2.0
179.07056	0.4
179.09294	0.7
180.36958	0.3
192.10190	5.0
193.12253	15.7
194.11768	100.0
195.12074	1.4
201.12349	6.5
210.11259	0.7
211.13289	5.5
231.02942	0.3
245.18542	0.4
250.12587	1.0
297.11261	0.4
303.04907	0.4
314.14191	1.7
314.21140	1.7
315.12466	2.8
318.03918	0.4
332.15329	1.8
332.22153	21.5
333.06030	1.7
334.98425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2218
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
53.03928	0.7
55.05499	1.4
56.05027	1.3
57.07058	1.5
59.04984	1.0
62.29692	0.5
67.05489	2.2
68.05025	1.4
68.99786	1.0
69.03408	1.3
69.07057	1.5
69.98956	1.3
69.99366	1.7
70.06247	0.7
70.06592	9.6
71.04981	1.0
72.08112	0.5
77.74075	0.5
79.05487	2.0
81.03403	1.6
81.07058	4.1
82.03790	0.5
82.07388	0.6
83.08594	1.0
84.04497	0.7
85.02905	1.7
85.06537	0.9
86.09696	2.1
86.90205	0.4
91.05489	3.3
93.07035	5.5
95.04958	1.1
95.06063	0.6
95.08589	2.1
96.08128	1.5
97.02870	0.9
97.06532	0.8
98.97575	0.5
98.97808	0.6
98.98463	7.7
99.08071	0.8
100.07607	3.8
105.07032	7.0
107.08593	6.1
108.08108	1.7
108.08850	0.9
109.02877	1.4
109.06517	1.2
109.10178	2.8
110.06941	0.6
110.10491	1.2
111.04466	0.6
111.05570	1.4
111.08077	0.7
114.05521	2.1
115.05473	0.8
116.07069	1.3
116.98651	0.6
117.07015	2.9
119.08595	5.1
120.04446	0.8
120.08879	0.6
121.10151	2.3
122.09664	2.0
123.08038	1.2
123.11684	0.9
124.12045	1.1
127.03909	2.1
128.07079	4.6
129.06973	1.0
130.06456	0.7
131.08568	9.2
132.04449	2.5
133.10124	7.4
134.05992	0.9
134.10501	0.6
135.08026	3.3
135.11693	2.0
137.02345	29.3
137.03394	1.8
137.05951	1.7
139.03824	0.8
142.07712	0.9
142.08643	3.8
143.08595	3.1
144.09369	0.5
145.10107	3.6
147.04344	0.5
147.08054	0.6
147.11653	2.1
149.13243	0.8
151.06178	1.4
151.11131	1.9
152.06958	0.6
152.11488	1.5
153.01805	1.3
154.08630	3.3
156.09335	0.6
157.10112	2.8
158.10912	1.7
159.11679	2.9
161.09529	0.8
161.13240	0.6
163.11156	0.6
164.07094	1.5
167.03436	0.7
167.07027	1.2
168.10201	14.6
169.10168	0.8
170.10922	0.6
171.04391	0.9
171.11703	1.6
173.13242	11.1
176.99072	0.5
177.05412	0.8
178.08633	5.2
182.11758	0.7
184.12497	1.2
186.12796	0.6
189.05460	1.1
191.14400	0.6
192.55974	0.6
194.11745	1.3
199.14828	2.8
201.12431	1.0
201.16391	1.1
202.09805	0.6
203.03462	0.7
203.11537	0.5
209.00917	0.8
217.05029	0.7
217.15881	2.3
223.02403	1.2
227.03371	2.6
230.09294	1.0
232.13342	1.8
233.14124	0.9
245.04427	3.2
245.09288	3.6
248.16455	0.7
255.02856	2.3
258.14899	0.9
259.11877	6.9
272.20023	0.6
273.03925	53.8
273.17218	0.9
274.04645	0.8
276.16028	1.6
284.16483	1.0
289.03601	0.7
291.14505	11.6
301.03473	1.6
302.12445	7.3
302.17462	5.1
314.21100	2.1
317.19785	2.9
318.03711	1.2
332.22192	100.0
333.05997	9.1
333.16690	16.6
333.22647	2.5
343.42224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
55.05502	1.5
56.96561	0.9
57.03434	1.1
57.07071	1.1
58.21714	0.4
59.04998	1.0
60.04525	21.3
60.94414	0.4
61.02908	0.5
65.03948	0.5
66.93658	0.4
67.05500	1.5
68.05831	0.4
68.68960	0.4
69.03445	2.2
69.07066	6.7
70.02946	0.6
70.06586	1.1
71.04993	1.4
71.57933	0.7
72.08156	1.4
72.10624	0.4
72.35625	0.4
73.02910	0.5
79.05486	1.5
81.03409	2.0
81.07053	3.5
82.06565	0.4
82.07367	0.9
83.04977	1.2
83.08642	0.5
84.04513	1.4
84.08144	0.7
85.02910	3.7
85.06536	0.9
86.06078	0.5
86.09703	83.4
87.04475	0.8
87.05592	11.7
87.10063	0.4
91.03955	0.6
91.05499	2.6
93.07056	2.8
95.04970	1.1
95.08601	3.6
97.02884	3.1
97.06497	0.4
98.97570	0.5
98.97701	0.5
98.98464	8.0
99.04474	0.8
100.07592	0.5
100.11260	1.0
100.98927	0.6
102.05537	0.9
105.06508	2.6
107.08581	2.2
109.02891	1.1
109.06532	0.8
109.10149	2.4
110.09688	1.1
110.10468	0.8
111.08064	0.7
113.09642	2.4
118.99021	0.5
119.08575	1.5
120.08087	0.4
121.06491	0.4
121.10125	0.9
123.08086	0.4
123.11678	0.6
124.12027	1.0
126.09231	0.4
127.03907	3.8
127.11204	1.0
128.04214	2.0
128.09781	0.9
128.10710	13.1
131.08540	0.6
132.10188	5.1
133.06477	0.7
133.10123	2.4
134.10516	0.8
135.08066	0.9
135.11674	0.8
136.06184	1.6
137.05957	1.9
143.08548	0.5
145.04936	1.0
145.10107	0.8
147.04417	0.6
147.11694	0.6
149.09669	0.9
151.07507	0.6
151.11206	1.9
152.07968	0.5
152.11493	1.9
153.01820	0.5
153.12743	2.0
157.10123	0.5
159.11711	0.6
163.03923	1.4
164.04279	1.4
165.08971	0.5
167.07062	1.7
169.12178	0.7
170.12575	0.4
171.13818	1.6
173.12852	100.0
174.13092	0.7
176.98912	1.2
187.11134	0.5
193.12230	0.7
194.11746	1.4
201.12341	35.0
219.13388	2.7
228.11029	0.4
229.06041	0.6
245.18625	0.9
251.08757	0.4
271.04907	0.8
273.03726	0.6
287.05698	0.4
301.11850	2.5
314.20154	0.8
315.19568	0.7
332.24396	1.1
333.14404	0.5
333.20364	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.8
56.05034	7.8
56.96564	1.0
57.03412	1.2
58.06592	4.8
58.29779	0.5
59.04973	0.8
60.04545	0.8
61.02922	0.7
62.33028	0.6
62.94955	0.6
67.05490	0.7
69.03407	2.4
69.07068	3.9
70.06573	2.6
71.04984	3.3
71.56976	0.9
72.04586	0.7
72.08157	46.3
73.04031	1.5
74.06082	28.7
77.10961	0.6
79.05482	1.6
81.03418	1.6
81.07062	5.1
83.04970	2.8
83.06100	1.0
83.08597	0.9
84.04505	13.1
84.08125	2.4
85.02897	4.0
85.06503	0.7
85.07662	1.4
86.06106	0.8
86.09705	32.9
88.03996	1.2
91.05486	4.4
93.07040	4.7
95.05023	1.4
95.08606	2.1
96.04470	0.7
96.08132	1.6
97.02895	2.0
97.06518	1.0
98.98468	14.6
99.04483	0.8
101.07146	23.5
102.05534	2.5
105.07035	1.6
107.08585	2.7
108.08106	1.2
109.02847	1.2
109.06519	1.6
109.07697	0.7
109.10147	2.4
110.09698	4.5
111.04436	1.2
112.07616	1.6
112.11243	1.9
116.07089	1.2
118.08627	1.1
119.04945	1.0
119.08606	1.1
120.08099	0.9
121.06499	5.3
121.10137	0.8
123.07957	0.8
123.11689	0.9
125.05975	1.1
127.03918	4.9
128.04227	2.2
128.10721	16.2
129.10237	7.3
130.04990	0.7
131.08578	0.8
132.10178	2.7
133.10100	1.0
135.11682	3.3
137.05983	1.6
138.09125	1.9
141.10239	0.8
141.12741	3.3
142.12277	2.3
143.11787	5.7
144.06532	2.5
145.04904	0.8
147.04362	3.2
147.11671	0.7
151.11191	1.4
153.05479	3.3
153.12746	5.8
155.11804	2.4
156.10184	1.3
162.07631	7.4
167.06950	0.9
170.09668	3.7
170.11774	0.9
171.10039	1.1
171.11389	1.3
171.13815	4.3
173.12863	100.0
174.13225	1.5
176.98929	1.4
183.11314	1.0
185.16432	1.0
187.14432	10.5
195.06461	1.8
200.12892	0.8
201.12354	50.5
202.12761	0.8
205.86917	0.7
213.16037	0.7
215.13881	5.7
219.13518	3.5
229.11836	1.2
231.17046	2.8
246.96605	0.8
291.08441	0.8
314.20425	0.7
332.21637	1.7
333.14807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2179
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.01882	0.6
55.05502	1.5
56.96561	0.9
57.03434	1.1
57.07071	1.1
58.21714	0.4
59.04998	1.0
60.04525	21.3
60.94414	0.4
61.02908	0.5
65.03948	0.5
66.93658	0.4
67.05500	1.5
68.05831	0.4
68.68960	0.4
69.03445	2.2
69.07066	6.7
70.02946	0.6
70.06586	1.1
71.04993	1.4
71.57933	0.7
72.08156	1.4
72.10624	0.4
72.35625	0.4
73.02910	0.5
79.05486	1.5
81.03409	2.0
81.07053	3.5
82.06565	0.4
82.07367	0.9
83.04977	1.2
83.08642	0.5
84.04513	1.4
84.08144	0.7
85.02910	3.7
85.06536	0.9
86.06078	0.5
86.09703	83.4
87.04475	0.8
87.05592	11.7
87.10063	0.4
91.03955	0.6
91.05499	2.6
93.07056	2.8
95.04970	1.1
95.08601	3.6
97.02884	3.1
97.06497	0.4
98.97570	0.5
98.97701	0.5
98.98464	8.0
99.04474	0.8
100.07592	0.5
100.11260	1.0
100.98927	0.6
102.05537	0.9
105.06508	2.6
107.08581	2.2
109.02891	1.1
109.06532	0.8
109.10149	2.4
110.09688	1.1
110.10468	0.8
111.08064	0.7
113.09642	2.4
118.99021	0.5
119.08575	1.5
120.08087	0.4
121.06491	0.4
121.10125	0.9
123.08086	0.4
123.11678	0.6
124.12027	1.0
126.09231	0.4
127.03907	3.8
127.11204	1.0
128.04214	2.0
128.09781	0.9
128.10710	13.1
131.08540	0.6
132.10188	5.1
133.06477	0.7
133.10123	2.4
134.10516	0.8
135.08066	0.9
135.11674	0.8
136.06184	1.6
137.05957	1.9
143.08548	0.5
145.04936	1.0
145.10107	0.8
147.04417	0.6
147.11694	0.6
149.09669	0.9
151.07507	0.6
151.11206	1.9
152.07968	0.5
152.11493	1.9
153.01820	0.5
153.12743	2.0
157.10123	0.5
159.11711	0.6
163.03923	1.4
164.04279	1.4
165.08971	0.5
167.07062	1.7
169.12178	0.7
170.12575	0.4
171.13818	1.6
173.12852	100.0
174.13092	0.7
176.98912	1.2
187.11134	0.5
193.12230	0.7
194.11746	1.4
201.12341	35.0
219.13388	2.7
228.11029	0.4
229.06041	0.6
245.18625	0.9
251.08757	0.4
271.04907	0.8
273.03726	0.6
287.05698	0.4
301.11850	2.5
314.20154	0.8
315.19568	0.7
332.24396	1.1
333.14404	0.5
333.20364	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01875	1.2
55.05505	4.0
56.05022	1.7
56.86917	0.6
56.96561	4.2
57.03417	1.8
57.07066	0.9
59.04992	1.6
60.04528	3.9
60.08140	0.7
61.01154	3.1
61.02913	2.6
65.03928	0.7
66.99061	0.7
67.04239	1.0
67.05489	1.9
68.05036	0.8
69.03419	3.0
69.07051	2.1
70.06584	4.3
71.04983	3.6
71.22310	1.3
72.08153	34.3
73.02908	1.3
74.00655	1.0
74.06064	1.6
80.05008	2.1
81.03411	2.4
81.07053	0.9
82.06585	6.6
82.59653	0.8
84.04494	7.3
84.08141	4.9
85.02913	6.2
86.06073	1.1
86.09701	40.6
87.02689	5.2
87.04459	8.1
87.05566	3.8
87.09998	1.3
88.03982	1.4
95.04921	0.7
95.06084	0.8
95.08559	0.8
96.08070	0.7
97.02875	3.5
98.06037	1.3
98.97578	2.9
98.98463	15.4
99.04438	1.2
101.04224	5.2
102.05530	4.0
105.04523	0.6
106.06576	1.6
107.04919	0.6
107.06091	3.3
108.08112	28.7
109.02864	2.7
109.08403	1.1
110.06001	0.6
113.02361	0.6
114.03753	7.5
114.89814	0.6
116.07078	4.1
116.98607	4.4
116.99406	1.2
119.01881	1.1
123.06774	1.2
124.07588	5.3
126.02476	5.1
126.03738	3.7
127.03924	19.0
128.04131	4.2
129.10228	2.7
130.04996	3.8
130.08585	0.8
130.15958	0.6
131.00156	1.0
131.01897	0.7
131.05290	1.0
131.08138	1.0
132.10190	2.2
133.06087	5.5
134.06003	2.0
134.99660	3.2
135.00552	0.7
135.04457	0.9
136.06154	0.8
136.07573	4.4
137.05948	0.7
138.02444	0.7
141.04807	11.8
141.06477	1.1
141.10207	0.8
142.03218	15.6
143.00104	0.8
143.06371	2.9
145.05064	0.6
146.99593	1.1
147.04378	1.4
147.07643	2.7
148.06049	6.4
148.08006	1.3
152.05806	1.2
152.07054	22.1
153.04778	3.4
153.07375	0.9
154.05585	10.1
155.04532	1.8
155.06364	36.3
155.11844	0.7
156.06648	0.9
157.13336	5.3
158.99625	1.5
159.11263	1.2
161.01222	1.3
163.03899	2.0
170.08131	2.4
171.05920	2.4
171.14909	6.6
173.02940	0.8
173.09245	2.0
173.12842	6.3
175.10779	3.5
176.98964	1.8
177.00717	2.5
179.06471	0.8
181.09686	1.0
183.03972	1.8
183.11221	1.5
185.12857	6.6
185.16539	0.7
187.10735	1.6
189.00633	0.9
189.04185	1.3
197.07428	61.5
198.07741	2.9
199.14433	4.9
200.13899	4.4
201.00690	3.1
201.08691	2.3
201.12361	2.1
203.03911	1.0
209.05618	1.0
211.09003	1.5
213.07063	1.5
214.07690	0.9
215.10283	1.2
215.13988	0.6
216.09760	0.6
219.01738	1.8
219.09792	4.5
221.05034	0.9
223.05327	2.2
224.68066	0.7
228.13385	1.0
229.10045	100.0
230.10242	3.6
233.11345	1.4
237.02800	1.6
242.07370	1.8
245.09375	1.5
255.07666	1.0
256.14764	9.0
263.06122	1.9
270.16339	0.8
273.08432	1.1
288.17389	52.6
289.17773	2.0
300.13568	4.4
307.07083	0.7
309.05145	1.5
309.08517	3.1
314.12354	11.5
327.06015	0.6
332.13351	21.0
332.16998	1.0
332.19244	1.0
333.11441	13.8
333.17572	1.5
351.09528	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58439	0.5
55.01869	0.8
55.05510	3.3
57.07074	1.4
58.95979	0.6
58.99576	1.1
59.05001	0.8
60.04510	1.5
66.90666	0.6
66.92520	0.6
67.05505	3.8
69.03427	1.7
69.07068	7.5
70.19791	3.0
71.04994	4.5
74.00655	1.6
76.02230	1.5
76.41888	0.6
79.05493	10.3
81.07061	9.1
82.07353	0.7
83.04975	3.4
85.02892	3.4
85.06533	2.5
86.09710	7.7
86.99075	1.0
87.05597	0.7
88.03974	1.4
91.05478	26.3
93.07046	10.9
94.07352	0.8
95.04966	6.3
95.08596	2.0
97.02894	1.0
98.98476	0.7
105.00012	1.1
105.07029	35.2
105.24064	0.6
106.06516	0.7
107.04948	1.3
107.08607	6.1
109.06515	6.7
109.10159	1.6
110.10501	0.8
113.30118	0.7
117.06908	0.7
119.08572	10.9
120.01163	1.2
121.10145	1.8
122.02737	9.6
123.08095	0.9
123.11728	1.2
125.05996	4.1
127.03914	1.4
128.00162	0.7
129.06961	0.9
131.08554	8.6
132.10194	1.0
133.10127	100.0
134.10472	2.0
135.11670	1.6
137.05980	5.7
139.02144	0.9
144.54196	0.7
145.04996	1.1
145.10132	1.7
147.11685	21.5
148.11192	1.4
149.09587	0.7
151.07574	3.6
151.11182	16.9
152.11519	2.8
155.07028	6.1
157.10080	0.8
163.05908	0.7
165.07307	0.7
165.12781	1.9
173.12859	11.1
175.11192	13.2
180.04866	0.6
185.77664	0.6
193.12239	49.0
194.11734	9.7
201.12267	3.3
211.13297	16.8
229.51875	0.6
250.12654	1.9
254.12076	0.9
257.52771	0.7
286.14767	1.3
296.13040	2.0
297.11557	2.4
314.14282	3.7
315.12576	10.1
332.15250	6.9
332.22055	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
54.47046	0.6
55.01854	0.9
56.60577	0.6
56.96574	1.0
57.03432	2.1
61.02916	1.8
67.05492	2.1
69.03428	6.2
69.05643	0.7
70.06583	1.0
70.12586	2.7
71.04964	0.8
72.08136	1.9
73.02912	1.8
73.12267	0.6
75.76913	0.6
76.88475	0.6
79.05480	1.1
81.03428	2.2
81.07053	1.2
84.08145	1.0
84.85645	0.6
85.02901	7.5
86.09725	1.6
87.04455	1.9
87.10056	0.6
89.81237	0.6
92.63514	0.6
93.05804	0.8
96.08132	0.9
97.02901	3.3
98.21449	0.7
98.97604	1.0
98.98462	1.0
99.04479	1.0
106.06548	5.0
108.08113	100.0
109.08453	1.2
116.07016	0.8
123.06813	4.3
124.07583	16.6
127.03913	2.2
129.10213	0.8
134.06015	10.0
136.07567	12.8
137.08432	0.7
143.00102	0.7
152.07063	67.5
154.08638	2.1
170.08081	7.2
314.12308	32.2
315.12698	0.9
332.13385	56.5
333.13742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01871	0.7
56.96572	2.6
57.03421	2.0
58.06586	1.1
61.02926	3.1
62.61346	0.5
65.03933	0.8
67.05508	2.5
69.03429	10.2
70.22399	2.4
70.22697	0.8
71.04993	1.3
72.08141	1.1
73.02921	2.4
74.09715	2.7
79.05467	0.9
81.03417	2.4
81.07060	1.1
84.04495	0.7
84.08163	0.7
85.02905	13.9
86.03232	0.7
86.09706	6.2
87.04455	1.8
91.03959	0.5
92.05000	0.7
96.08113	0.9
97.02894	6.2
98.97574	2.9
98.98464	1.7
99.04439	1.2
104.10739	0.7
106.06570	3.8
108.08117	100.0
109.02869	1.2
109.08437	1.1
113.34109	0.5
116.98610	1.6
118.08656	1.4
119.01921	0.7
123.06840	2.9
124.07592	15.9
127.03920	7.9
128.04248	2.7
128.98605	0.5
129.10312	0.5
130.08498	0.5
130.39960	0.5
134.06017	11.3
134.06985	0.8
134.99739	0.7
136.07584	13.8
136.94028	2.9
137.08171	0.5
143.00186	1.1
145.04965	1.9
152.07065	67.8
153.07364	1.1
154.08669	2.1
156.04187	0.7
161.01212	1.6
161.05524	2.0
170.06190	0.9
170.08130	7.1
170.99638	0.8
173.03015	0.6
176.07657	0.8
185.01157	1.1
185.12918	1.0
185.16522	1.1
189.00726	1.9
192.05392	0.8
207.01791	0.7
216.05383	2.9
219.07124	1.2
221.05055	0.7
231.01678	1.2
234.06477	2.3
242.07858	1.0
244.10316	0.5
245.05148	0.7
251.08499	1.0
291.03979	2.4
309.04929	2.8
314.12326	37.5
321.10312	3.0
322.10208	0.6
332.13400	71.0
333.09552	1.3
333.13477	3.9
338.10120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.4
55.93063	1.4
56.37096	1.3
57.03429	7.3
57.07077	88.1
58.07400	2.0
59.27129	1.1
59.68859	1.4
60.23359	1.4
61.98955	1.2
67.05503	22.5
69.03413	2.3
69.07069	15.6
69.89939	4.5
69.90350	3.3
70.06597	7.8
71.06929	2.4
71.08633	60.4
74.47212	1.1
75.04489	3.2
79.05492	2.5
81.03419	2.7
81.06582	2.1
81.07058	33.2
83.08619	22.0
85.02905	2.1
85.06538	1.6
85.10183	30.8
86.10484	1.4
88.07639	11.5
89.06007	1.7
89.07946	4.7
91.05486	2.3
93.07059	3.1
95.07980	1.7
95.08607	52.1
97.10181	10.5
98.98466	78.7
99.08118	1.3
99.11734	3.6
100.47999	1.4
100.98890	2.8
102.09155	3.1
103.09531	1.2
105.07015	2.4
106.08671	8.2
107.08540	1.9
109.02892	2.2
109.10155	23.2
111.11680	3.3
116.99482	3.1
119.08559	3.7
121.10146	2.7
123.11720	12.2
125.13249	4.0
127.03918	65.2
133.10132	1.6
135.11743	1.5
137.09608	2.5
137.13249	6.1
140.01035	1.6
145.10143	2.3
151.14848	2.2
159.11653	2.2
166.63931	1.4
174.99226	3.1
175.32845	1.2
176.98949	8.1
177.16653	1.5
203.14313	1.4
214.46896	1.4
221.22720	3.1
228.66087	1.2
237.22818	1.5
239.23694	23.6
252.99850	1.7
257.24744	6.6
309.50430	1.4
313.18118	3.1
313.27359	71.8
313.33054	5.4
314.27850	2.6
331.18951	14.6
331.33994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.9
57.03427	7.9
57.07077	93.0
58.69010	1.8
67.05502	28.4
69.03427	2.8
69.07070	21.2
69.63132	4.6
69.63546	10.8
70.06588	4.5
71.08632	77.5
75.04478	5.1
79.05495	4.7
81.03399	5.8
81.07059	42.9
83.04967	1.8
83.08616	24.5
85.02885	2.0
85.10184	39.3
88.07621	7.4
89.05997	3.2
91.05452	4.9
93.07052	7.3
95.08608	62.6
97.02893	3.6
97.10176	13.8
98.93647	1.8
98.98466	100.0
100.98783	1.9
105.07034	6.4
106.08649	4.3
107.08585	9.3
109.02866	2.7
109.06552	3.2
109.10151	30.3
111.08075	2.5
111.11711	5.7
116.99489	3.4
119.08607	9.9
121.10107	5.7
123.08095	2.6
123.11704	14.7
125.13276	4.3
127.03920	94.1
128.04250	4.0
133.06462	3.0
133.10143	4.9
137.06035	1.8
137.09602	5.1
137.13217	7.6
145.10120	4.1
147.11694	3.1
151.11131	2.4
157.10060	2.9
159.11728	3.4
161.09607	2.2
161.13239	2.8
174.99272	4.4
176.98857	12.3
187.14758	2.0
197.13115	2.7
205.96646	1.8
221.22635	2.5
239.23718	32.7
257.24838	5.8
285.18448	2.6
299.02008	2.4
313.17975	8.6
313.27371	74.9
313.32797	3.8
314.27679	3.1
331.04437	2.5
331.19025	17.0
331.26279	2.7
331.34003	66.4
332.19406	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	331.2475
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.03938	5.7
55.01884	9.2
55.05257	2.8
55.05505	31.9
57.03419	3.7
57.07064	3.9
65.03925	3.0
67.05502	98.1
67.12070	1.9
69.03421	6.3
69.07062	44.0
69.99281	10.5
71.04992	34.0
76.27331	1.7
79.05064	3.7
79.05489	58.3
80.20863	2.0
81.03429	2.2
81.07053	100.0
83.04983	11.1
83.08616	18.2
85.02876	3.3
85.06533	20.0
91.05478	30.9
92.14749	1.9
93.07039	75.4
94.07310	2.4
95.04953	6.5
95.08602	80.0
96.08935	2.3
97.06522	14.9
97.10155	18.7
98.97872	2.3
98.98461	37.7
99.08088	20.0
105.07028	27.0
107.08588	49.9
109.06483	7.2
109.10144	36.8
111.04421	2.7
111.08060	6.2
113.09637	4.4
117.06989	6.0
119.08570	26.0
121.06512	2.3
121.10139	89.6
123.08045	6.0
123.11684	9.9
125.09628	24.0
127.03887	7.9
129.07037	4.0
129.86571	2.2
131.08578	14.5
131.10655	2.8
133.06470	8.3
133.10117	23.3
135.08031	3.6
135.11682	56.1
137.09602	3.1
137.13222	3.8
139.11163	17.4
143.08540	6.1
145.10054	9.8
147.08029	3.3
147.11696	14.4
149.09631	3.2
149.13231	17.9
151.07567	3.3
151.11208	4.0
153.09111	2.0
155.10611	2.2
157.10100	3.3
157.12209	2.8
159.11684	8.1
161.09639	4.3
161.13225	5.4
163.11163	5.8
163.14830	4.2
165.09132	2.8
165.12770	4.0
167.10721	2.4
171.11678	7.1
173.11714	10.2
173.13272	6.6
175.14795	5.2
176.98898	3.0
177.12665	4.2
179.10570	2.1
181.12234	6.8
185.11714	8.5
185.13283	5.6
187.13275	3.8
187.14807	2.4
189.11252	4.8
195.13776	6.7
201.14821	2.7
203.12720	13.2
203.14304	2.2
209.15485	2.8
221.15433	3.2
241.19498	7.0
259.20578	29.9
277.21603	92.6
278.21930	6.2
295.17093	1.9
295.22690	36.1
313.17880	2.9
313.23624	9.0
331.11798	4.1
331.19125	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
57.07074	2.8
67.05485	5.4
69.03419	1.8
69.07048	3.0
71.08621	1.6
71.58707	1.9
71.59075	1.6
71.83250	1.3
79.05489	3.0
81.07053	5.3
83.08596	1.7
91.05473	3.1
93.07021	4.5
95.08601	8.9
97.06487	2.0
98.98460	74.6
100.98874	2.1
105.07006	5.5
107.08580	8.0
109.06518	2.0
109.10122	6.2
115.04778	1.3
116.99506	2.9
119.08569	11.8
121.10118	5.3
123.08042	1.9
123.11705	2.1
127.03903	14.6
131.08569	3.4
133.10106	4.9
135.08020	2.0
135.11653	2.4
137.09613	5.1
140.01074	3.1
142.07712	1.3
145.10092	4.1
147.11708	3.3
149.13257	1.9
151.11205	2.1
157.10040	1.6
159.11732	3.3
161.09596	2.4
161.13268	3.1
163.03943	1.7
163.14771	1.5
171.11719	2.5
173.13318	2.9
174.99228	3.9
176.98894	6.0
183.11626	1.9
201.16263	2.3
203.14380	1.8
216.01994	1.4
225.16420	1.7
243.10028	1.5
252.99657	1.7
261.11340	1.4
271.17123	1.8
285.18570	3.3
289.33029	1.4
295.16803	2.8
313.17966	6.0
314.17902	1.7
331.04306	2.5
331.18948	13.8
331.22433	100.0
332.22705	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	331.1901
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
53.03935	2.5
55.01868	1.7
55.05503	3.5
57.07065	1.4
59.04996	4.4
59.18607	0.6
65.03928	2.7
67.05167	1.0
67.05502	12.2
69.03432	7.1
69.07050	5.0
71.04993	1.1
71.59306	0.6
71.59671	1.1
77.43752	0.8
79.05489	28.7
81.03415	2.1
81.07053	19.8
83.04973	7.3
83.08612	2.0
85.02901	0.8
85.06550	1.3
91.05459	6.5
93.03403	1.6
93.07028	6.0
95.04954	4.1
95.08591	6.2
97.02917	1.1
97.06516	12.6
97.10177	0.8
98.98459	53.9
99.04462	1.1
100.98871	1.4
102.97352	0.7
105.07024	15.1
107.04941	3.0
107.08575	8.7
109.02868	1.1
109.06496	2.9
109.10157	5.6
111.04433	54.3
111.08060	0.9
112.97097	0.7
116.99501	2.8
117.07029	2.0
119.08570	10.8
121.06499	1.6
121.10144	4.9
123.08055	2.3
123.11649	0.7
124.61777	0.6
125.05983	95.8
126.06326	1.7
127.03905	26.0
128.04166	0.7
129.06995	1.8
130.07726	1.0
131.08522	5.1
133.06525	3.5
133.07317	0.7
133.10104	6.6
135.08055	5.2
135.11681	1.9
137.05959	1.3
137.09595	2.1
140.01053	1.6
141.06966	0.7
142.07759	1.4
143.08508	3.9
144.51860	0.6
145.06508	0.8
145.10124	15.4
147.08038	1.4
147.11685	4.1
149.09641	3.7
151.07573	1.0
151.11183	1.3
154.66821	0.7
155.08553	2.0
156.09328	1.7
157.10075	4.3
159.08095	1.0
159.11685	8.6
160.12299	0.9
161.09610	2.5
161.13261	5.5
163.07472	0.7
163.11131	1.8
168.09413	0.8
169.10130	3.2
169.12294	0.8
170.10863	1.6
171.11697	7.2
173.09599	1.1
173.13252	1.8
174.99219	3.0
175.07498	0.7
175.11177	1.1
175.14821	1.0
176.98903	5.6
177.09064	1.4
181.10106	1.4
183.11696	2.4
185.09615	1.2
185.13278	3.6
187.14760	1.8
189.09090	0.9
189.12761	7.1
191.10623	0.7
195.11737	1.3
197.13252	2.1
201.09151	0.9
203.14311	4.7
205.15884	0.7
209.13261	1.9
211.11371	1.0
211.14775	1.3
215.10587	0.8
215.14281	0.8
223.14845	1.2
225.12889	0.8
225.16383	1.6
229.12253	0.8
235.14850	0.9
239.17880	1.2
242.15379	0.7
249.16365	1.2
252.99506	1.0
253.15834	0.9
267.17368	2.1
269.15338	0.8
271.16849	1.2
275.13052	1.0
277.16031	1.1
285.18527	1.5
295.16977	2.6
313.17944	7.3
331.19009	100.0
331.26379	2.9
332.19315	4.2
345.78613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1904
Annotation	Gibberellin A15
Peak:m/z	Relative Intensity
55.01870	3.8
55.05524	17.0
57.03413	3.0
67.05507	45.5
69.03431	7.3
69.07070	17.2
70.08646	12.8
71.04982	8.3
79.05495	24.8
81.07059	50.8
83.04977	6.6
83.08604	9.0
85.06536	6.9
91.05480	25.5
93.07044	46.1
95.04965	5.8
95.08616	36.6
97.02885	9.6
97.06538	5.7
97.10144	5.4
98.98466	35.1
99.08105	4.6
105.07037	34.7
107.04939	5.6
107.08599	33.0
109.06532	14.2
109.10164	21.3
111.04426	9.7
111.08070	4.8
117.07004	9.4
119.08585	63.1
121.06475	4.9
121.10138	43.2
123.04391	5.6
123.08086	5.3
123.11715	4.3
125.05996	6.7
125.09608	6.1
127.03922	21.1
129.07059	5.3
131.08534	17.5
133.06509	13.1
133.10138	50.0
135.08044	5.2
135.11751	21.5
137.05942	5.5
137.09628	5.7
139.07509	6.3
139.11197	3.3
143.08563	9.5
145.10121	24.3
147.08037	5.0
147.11679	20.8
149.09624	4.7
149.13242	11.9
151.03906	11.6
153.07053	4.1
155.08525	5.4
156.09296	6.7
157.10136	19.0
158.10965	3.1
159.11679	22.4
161.09647	7.2
161.13216	3.4
165.09126	10.3
168.09248	3.3
169.10094	13.9
170.10846	5.4
171.11723	22.4
172.12518	5.7
173.09538	3.4
173.13223	25.2
175.11172	12.3
175.14841	9.5
178.28169	3.1
179.10660	6.8
181.10236	3.8
181.12270	4.0
183.08101	2.6
183.11740	17.8
184.12401	3.7
185.09648	2.8
185.13318	20.3
187.14809	42.2
193.12218	8.0
195.11668	6.1
197.09616	3.9
197.13272	10.5
199.11252	5.6
199.14810	5.6
201.09167	5.4
203.10687	5.2
211.11223	7.2
211.14810	3.5
215.10670	8.0
217.12201	4.9
219.13820	3.7
221.15331	4.1
223.14847	3.9
225.12851	2.8
225.16374	18.6
229.12238	6.9
231.13803	3.8
233.15326	16.9
239.17958	14.6
241.19511	5.5
243.13812	4.5
249.16455	5.3
259.20529	7.3
267.17474	29.1
271.16968	8.5
277.21658	23.4
285.18500	100.0
286.18857	5.5
295.16913	6.6
295.22626	10.6
313.17929	30.3
331.11557	8.7
331.19009	40.1
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	Tricalysiolide E
Peak:m/z	Relative Intensity
50.91580	1.8
53.03937	4.3
55.05515	11.6
57.03429	8.8
57.07061	2.3
65.03940	2.0
67.05215	2.4
67.05509	23.7
69.03412	7.5
69.07066	12.8
71.04988	4.1
75.04476	16.9
79.05493	28.7
81.03399	3.1
81.07064	35.0
83.04978	4.6
83.08614	5.9
85.02911	2.0
85.06569	4.9
91.05483	87.7
93.07054	30.3
95.04965	9.7
95.08610	36.5
97.02895	7.7
97.06535	3.6
98.98471	71.9
98.99126	3.9
99.04486	3.4
103.05460	5.1
104.06216	2.7
105.07038	100.0
105.32576	2.1
107.04958	7.2
107.08601	28.6
109.02953	2.8
109.06555	11.3
109.10151	20.3
111.04441	14.8
111.08078	3.0
115.05443	4.5
116.99487	3.0
117.07028	30.2
119.08590	69.5
121.06511	8.3
121.10152	14.0
123.08062	6.4
123.11708	3.9
125.05992	6.1
127.03919	49.1
128.06210	11.7
129.07007	22.1
130.07848	3.8
131.08575	43.3
133.06502	21.5
133.10133	33.1
135.08055	7.1
135.11638	4.2
137.05998	3.8
139.07483	3.2
141.06996	13.4
142.07729	10.6
143.08582	33.4
144.09331	5.8
145.06456	4.9
145.10123	45.5
146.48578	2.0
147.08038	16.4
147.11714	13.0
148.11986	2.0
149.05981	3.6
149.09601	3.9
151.07532	16.9
153.06952	5.1
154.07712	5.4
155.08571	37.2
156.09337	14.1
157.06516	3.0
157.10121	34.2
158.10905	3.8
159.08073	4.9
159.11696	38.8
160.85028	2.1
161.09642	17.2
161.13239	6.5
163.07529	4.3
165.07053	5.6
165.09088	3.3
167.08601	7.8
168.09348	3.9
169.10139	37.7
170.10838	3.6
171.08051	4.3
171.11703	37.4
173.09616	11.1
173.13268	39.5
174.13853	4.5
174.99181	3.3
175.11180	9.4
175.14815	2.8
176.98927	6.1
177.09058	2.4
177.12761	5.5
179.08580	8.2
179.10678	2.7
180.09181	4.0
181.06506	2.9
181.10114	11.2
182.07243	2.3
182.10956	4.1
183.08003	13.3
183.11697	25.7
185.09610	9.0
185.13219	13.3
187.11179	8.0
187.14771	5.1
189.09148	5.5
189.12723	3.2
191.08681	2.3
191.10658	5.1
193.10178	8.0
194.10899	5.8
195.08134	2.6
195.11761	12.6
196.12482	5.0
197.09647	14.4
197.11659	2.1
197.13191	13.9
199.11189	4.0
199.14793	4.0
201.09108	15.2
201.10745	2.0
201.12755	9.2
203.10666	4.9
205.10155	4.0
205.12148	4.0
207.11771	7.2
208.12492	2.8
209.09999	1.9
209.13249	18.9
210.10463	2.2
211.07747	5.1
211.11310	10.8
211.14841	29.3
212.08124	2.2
213.12732	3.9
215.10664	15.7
215.14403	3.6
217.12202	2.3
217.85834	2.4
219.11745	4.7
219.13657	2.8
220.12494	5.2
221.13301	4.0
223.11211	3.0
223.14745	3.7
225.12784	8.5
225.16356	28.1
227.07130	2.3
227.17960	3.1
229.12242	6.5
229.16168	3.8
235.14861	15.2
239.14401	3.2
239.17928	4.8
243.17427	3.8
249.16452	11.6
251.14423	2.7
253.15891	34.5
254.16252	2.6
257.15338	4.4
267.17505	16.0
271.16953	51.1
272.17493	2.2
277.15982	9.9
285.18555	6.3
289.18027	3.7
295.16946	29.9
313.18002	40.7
314.18069	2.5
331.12122	25.9
331.19037	99.2
332.12134	2.8
332.19376	5.8
349.20209	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	331.1905
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
52.36829	0.6
53.03944	3.0
55.01867	2.0
55.05508	3.1
57.03420	0.6
57.07082	0.8
59.04993	3.2
65.03938	2.6
67.05511	11.9
69.03441	7.3
69.07066	3.1
69.66654	0.5
71.08656	0.6
73.68005	0.6
75.62361	0.6
78.09996	0.7
79.05500	31.3
79.05966	1.6
81.03425	3.8
81.07064	19.9
83.04989	8.0
83.08624	0.8
85.02914	1.6
91.05478	5.4
93.03413	1.8
93.07064	4.6
95.04957	3.3
95.08605	3.8
97.02886	2.2
97.06544	12.4
97.10134	0.6
98.98473	53.2
100.98911	1.2
105.07028	13.7
106.56867	0.7
107.04945	4.2
107.08591	8.5
109.02877	2.3
109.06508	2.1
109.10167	3.9
111.04450	53.9
112.04773	0.7
115.05394	1.0
116.99505	2.3
117.07021	2.9
119.04992	0.7
119.08600	12.1
121.06527	1.2
121.10143	3.1
123.08092	1.6
125.06000	100.0
126.06340	1.2
127.03924	71.1
128.04228	2.3
129.06981	2.0
130.07741	0.9
131.08560	4.9
133.06509	2.4
133.10153	5.8
135.08087	3.5
135.11734	0.9
137.06059	0.8
140.00990	1.1
141.07011	1.2
143.08534	3.7
144.09323	1.0
145.10136	15.2
147.08051	2.5
147.11696	2.8
149.09669	2.5
151.07593	1.0
151.11168	1.2
155.08586	2.2
156.09352	2.9
157.10138	4.6
159.08073	1.4
159.11696	8.5
160.12352	1.3
161.09758	1.5
161.13274	6.4
163.07568	1.3
163.11276	1.3
165.09126	1.4
167.08510	0.9
169.10126	2.4
170.10899	1.2
171.11751	5.1
173.09660	1.0
173.13255	1.2
174.99248	2.7
175.11195	0.7
175.14925	0.7
176.98933	5.7
177.09196	0.8
179.10649	0.7
180.09361	0.9
181.10045	1.3
183.11673	3.1
185.13242	2.8
187.06036	1.8
187.11113	0.8
187.14772	1.0
187.35782	0.8
189.09091	0.9
189.12787	7.7
193.10101	0.9
195.11703	2.1
197.13188	1.3
203.14317	4.2
207.10031	1.1
209.13298	2.0
211.14854	1.9
215.10771	0.8
215.14432	1.1
225.16376	1.6
249.16425	0.9
252.99733	1.0
267.17383	2.0
271.16962	1.0
275.12833	0.9
285.18561	1.6
295.16940	1.7
313.17999	5.4
331.19058	97.2
332.19403	4.7
350.73563	0.6
352.82474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1897
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
51.48125	0.8
53.03944	1.0
53.77557	0.8
55.01857	1.5
55.05502	3.3
57.03428	0.9
57.07053	1.6
59.04985	2.4
61.47719	0.8
65.03928	1.1
67.05502	7.3
69.03422	7.5
69.07054	3.1
70.64584	2.6
71.04984	1.7
75.35292	0.9
79.05495	7.8
81.07062	10.5
83.04951	2.5
83.08607	1.3
85.06525	2.4
87.11685	0.8
91.05477	14.1
93.07045	14.4
93.20099	0.8
95.04961	2.8
95.08609	9.7
97.02888	14.8
97.06507	1.7
98.98468	47.5
99.08107	1.8
103.05454	1.3
105.07032	35.2
107.04947	2.2
107.08607	14.9
109.06514	6.8
109.10155	7.0
111.04452	2.6
111.08082	3.4
116.99531	2.0
117.06997	3.5
119.04971	1.0
119.08580	54.2
121.06511	3.3
121.10149	10.0
123.04429	1.2
123.08067	9.7
123.11664	4.4
125.09620	1.1
127.03922	12.0
128.06210	2.9
129.06989	1.1
131.08577	4.2
133.06493	100.0
133.10126	31.9
134.06750	1.4
135.04395	1.0
135.08070	2.9
135.11674	3.2
137.06003	1.4
137.09625	7.9
139.07581	1.2
141.09105	1.3
142.07805	3.1
143.08540	5.5
145.06512	1.7
145.10107	6.3
147.08054	19.4
147.11684	2.7
147.58090	0.8
149.05992	1.2
149.09604	1.9
149.13243	2.1
151.07538	1.1
151.11192	4.1
155.08543	1.9
157.10126	5.8
159.08093	1.1
159.11652	3.2
161.09621	16.1
161.13223	2.1
163.11182	2.7
165.05470	1.0
165.09116	25.8
169.10132	2.6
171.08063	1.1
171.11678	3.3
173.09654	3.4
173.13277	1.9
174.99249	3.3
175.11188	1.6
176.98929	3.7
177.09174	1.0
179.10677	16.2
183.08115	2.4
183.11681	3.6
185.09628	24.3
185.13257	2.2
187.14778	1.4
189.09120	13.3
197.13266	2.6
201.09224	1.1
201.16394	1.9
203.10712	1.0
203.14342	2.1
205.15851	1.0
207.10152	21.7
207.12000	1.2
209.13229	1.5
211.11189	1.0
211.14774	1.6
212.29785	1.0
215.10675	1.3
225.11136	15.4
225.13025	1.4
225.16403	2.8
235.14859	1.2
239.17972	1.5
243.10297	1.1
249.16510	1.0
252.99745	0.9
253.12343	1.0
253.15871	2.5
258.50592	1.0
267.17514	2.9
271.09680	1.1
271.16949	2.0
277.15891	2.0
285.18457	3.4
293.65466	1.0
295.16943	4.7
313.17996	21.2
331.18848	96.1
332.19345	4.2
345.57770	1.0
349.16336	1.1
354.63129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.19
Annotation	Carnosol
Peak:m/z	Relative Intensity
53.03941	1.5
55.01857	1.3
55.05507	2.4
55.94874	0.8
57.07075	1.0
59.04977	1.4
61.39009	0.8
67.05499	5.6
69.03426	7.7
69.07056	2.0
70.65909	3.1
71.04973	0.8
77.90032	0.8
79.05494	7.8
81.03391	1.6
81.07053	8.8
83.04963	1.1
83.08634	1.2
85.02927	1.2
88.48339	0.9
91.05466	10.8
93.07035	14.5
95.04972	3.4
95.08598	8.4
97.02887	13.9
98.98460	31.3
99.08125	1.0
103.05461	1.4
105.07027	35.1
107.04949	2.0
107.08587	11.8
109.06506	5.2
109.10157	6.0
111.04431	2.7
111.08057	3.2
113.05995	1.1
116.99461	2.1
117.07014	2.9
119.08573	49.4
121.06520	3.4
121.10126	5.8
123.08054	12.0
123.11705	2.4
125.09583	1.2
125.81363	0.8
127.03912	10.2
128.06203	1.7
129.06972	1.6
131.08560	2.8
131.09486	0.9
133.06485	100.0
133.10117	26.9
133.11081	1.8
134.06828	2.4
134.10509	0.8
135.08035	1.2
135.11688	3.7
137.05981	2.1
137.09628	6.2
142.07817	4.0
143.08582	6.1
145.06496	0.8
145.10103	3.6
146.07361	1.1
147.04517	0.8
147.08032	21.4
147.11720	1.4
148.08888	0.8
149.09601	1.1
151.07512	1.0
151.11203	4.8
157.10155	6.9
159.07988	1.4
159.11697	2.7
161.09602	17.2
163.11238	2.4
165.09108	23.2
169.10101	2.1
171.11710	2.9
173.09601	1.6
173.13257	1.6
174.99199	1.7
176.98938	3.8
179.10641	18.0
183.08054	1.6
183.11711	2.2
185.09610	25.4
185.13232	1.9
186.10045	1.0
189.09119	13.2
207.10147	23.9
207.12038	1.4
211.14853	1.0
211.90022	0.8
225.11139	15.7
225.12991	1.4
225.16324	1.3
249.16289	1.6
253.15964	1.3
267.17441	2.0
277.15829	1.3
285.18530	2.4
295.16962	3.6
313.17981	13.2
331.11935	6.7
331.15363	1.2
331.18915	12.6
331.22610	1.2
332.12564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1901
Annotation	Spiramilactone B
Peak:m/z	Relative Intensity
51.38931	1.0
51.91496	1.3
53.03936	2.1
55.01857	2.4
55.05508	7.7
56.96543	1.2
57.03421	1.5
57.07041	2.2
59.04974	2.2
60.04510	2.0
65.03925	1.2
67.05501	12.9
68.61214	0.9
69.03402	4.1
69.07047	8.0
70.62005	2.3
70.62402	2.3
71.04980	2.1
71.08614	1.0
79.05051	1.4
79.05486	16.0
81.03399	3.0
81.07050	22.1
82.34004	1.0
83.04960	3.9
83.08604	3.4
85.02891	3.8
85.06550	2.1
91.05476	14.8
93.07033	17.0
95.04976	5.9
95.08604	17.1
97.02885	2.5
97.06504	3.4
98.98460	100.0
100.98865	1.4
103.05424	1.3
105.07022	40.2
107.04939	3.9
107.08585	18.0
109.02859	1.9
109.06495	7.4
109.10139	9.1
109.28686	1.1
111.04422	12.2
111.08076	3.8
115.05487	1.2
116.99483	3.3
117.06990	7.4
119.04860	1.7
119.08576	31.7
121.06528	5.6
121.10126	10.7
123.08035	6.1
123.11699	4.7
125.05993	6.6
125.09583	1.5
127.03907	37.1
128.06215	1.7
129.06947	3.6
131.08560	11.3
133.06509	9.5
133.10110	17.4
135.08003	4.2
135.11679	3.9
137.05948	3.5
137.09631	3.3
140.01025	1.8
141.07037	1.4
142.07753	2.6
143.08553	7.6
145.06528	2.7
145.10112	15.8
147.08049	7.2
147.11708	9.8
149.05971	5.7
149.09575	2.6
149.13171	1.7
151.07523	8.0
151.11180	3.1
153.06952	3.3
155.08517	6.8
156.09337	1.7
157.10117	8.1
159.08054	2.7
159.11673	15.6
161.09624	4.6
161.13240	4.6
163.11099	2.6
165.06927	1.5
165.09094	3.5
169.10155	7.3
170.10892	1.9
171.08107	2.0
171.11630	9.9
173.09590	3.5
173.13252	7.1
174.99236	6.4
175.11154	4.2
175.14774	5.9
176.98914	10.7
177.09109	1.5
179.08517	1.5
179.10608	1.2
181.06470	5.9
181.10004	1.3
182.07085	1.3
183.08038	1.5
183.11694	9.4
185.09639	3.7
185.13208	5.2
187.07510	2.3
187.11198	5.4
187.14804	7.3
189.09068	1.8
189.12782	1.3
191.10683	3.4
195.11693	2.8
197.09625	2.5
197.13263	4.9
199.07535	3.6
199.11206	3.1
199.14842	2.3
201.09102	2.1
201.12794	3.6
201.16364	3.7
203.10655	3.5
203.14365	1.2
205.12221	1.6
205.15878	1.2
207.11850	1.5
209.13254	2.0
210.06773	1.7
210.13991	1.4
211.11145	5.6
211.14873	2.4
213.12735	2.0
215.10698	3.1
219.13692	1.6
223.14781	2.0
225.09120	2.2
225.12808	1.9
225.16367	5.2
227.07037	9.7
228.07404	1.5
229.12187	8.2
231.13843	1.2
238.06200	1.9
239.14264	2.0
239.17926	8.8
241.19455	1.5
243.10078	1.2
243.13770	2.2
249.16306	1.6
252.99698	2.5
253.16010	2.5
257.15311	1.4
267.17459	10.6
271.16882	2.7
275.12778	4.2
277.15964	2.1
285.18466	30.6
285.21591	1.8
286.18515	1.9
295.16989	10.2
303.19180	1.5
313.17935	50.8
314.18390	1.3
331.04242	1.4
331.12207	10.0
331.18994	92.5
332.19400	2.7
349.19913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1905
Annotation	Heteroplexisolide A
Peak:m/z	Relative Intensity
53.03927	2.3
55.01856	3.7
55.05512	10.1
56.96555	1.6
57.03431	3.6
57.07074	1.5
62.28975	1.3
65.03927	1.8
67.05511	22.0
69.03432	11.3
69.07071	9.5
71.04980	5.5
79.05071	1.5
79.05498	17.4
81.03422	4.0
81.07056	31.6
83.04987	7.0
83.08588	5.4
84.04470	1.4
85.02903	7.3
85.06523	2.3
91.05471	22.1
93.06477	1.9
93.07044	35.5
95.04953	11.5
95.08607	58.7
95.81519	1.2
96.40569	1.3
97.02895	7.5
97.06510	5.4
98.21527	3.1
98.98469	100.0
99.04430	2.7
99.08076	2.9
100.98892	2.9
105.07034	37.4
107.04932	5.7
107.08598	34.3
109.02869	3.3
109.06516	19.0
109.10149	13.6
110.04575	1.4
110.10513	1.2
111.04444	9.4
111.08096	10.3
112.25423	1.3
113.06014	3.1
113.79795	1.2
115.05450	1.6
116.31346	1.2
116.99475	4.3
117.07016	4.9
119.01907	4.2
119.04921	3.0
119.07796	2.5
119.08585	36.3
119.58939	1.2
120.44465	1.1
121.06514	8.8
121.09326	2.6
121.10152	46.2
122.10505	1.4
123.04444	3.2
123.08075	28.6
123.11687	7.6
124.08894	10.7
125.05987	2.6
125.09633	99.5
126.10007	2.3
127.03921	10.8
128.06177	2.0
129.06982	3.7
131.01877	1.4
131.08568	8.5
133.06508	9.4
133.10138	35.7
135.08044	6.4
135.11688	12.4
137.05946	4.8
137.09615	4.7
139.07510	2.9
140.01039	1.4
141.07076	1.4
142.07762	2.1
143.08582	10.7
145.03555	1.6
145.06464	3.5
145.10112	10.1
146.07323	1.5
147.04376	2.0
147.08069	14.0
147.11650	6.4
149.01237	2.2
149.05975	2.7
149.09586	5.1
149.13242	1.5
151.07547	19.8
151.11169	3.9
153.06969	2.7
155.08536	4.2
156.09319	2.4
157.03517	2.0
157.10158	13.4
158.10655	1.2
159.08034	4.5
159.11676	9.1
161.03018	2.8
161.05942	1.2
161.09625	19.4
161.13303	2.9
163.03838	2.9
163.07494	1.9
163.11143	8.3
165.06989	1.7
165.09117	13.8
167.08479	1.3
167.10649	2.0
169.10075	4.5
170.10895	3.4
171.08026	4.8
171.11652	7.8
173.02852	1.3
173.09613	5.5
173.13200	7.1
174.99254	5.4
175.07536	1.7
175.11166	6.7
175.14774	2.9
176.98933	7.9
177.09164	1.9
179.09167	1.8
179.10649	13.1
181.06367	2.8
181.10143	1.9
181.12289	2.9
183.07962	3.0
183.11664	6.3
185.02950	2.4
185.06044	2.0
185.09608	3.7
185.13266	5.3
186.03113	2.0
187.11166	6.5
187.14798	3.3
189.09113	9.4
189.12766	2.4
191.10631	3.7
193.10150	1.5
195.11772	2.1
197.09602	2.8
197.13258	4.6
199.11148	2.6
199.14790	2.5
201.12737	4.9
201.16399	1.5
203.03986	3.7
203.06882	1.4
203.10623	4.6
203.14275	1.6
207.10133	13.4
209.13293	3.5
210.06848	1.4
211.07474	1.6
211.11223	3.8
211.14848	2.9
213.12704	2.9
215.10631	3.6
215.14319	1.6
217.12192	2.9
219.13724	2.9
221.15233	1.4
224.07695	1.8
225.11124	10.3
225.12869	1.1
225.16348	5.7
226.07642	1.7
227.07268	2.8
227.14310	4.9
229.12056	3.1
229.15901	3.5
231.13821	2.2
233.72902	1.4
235.14738	1.7
239.17827	1.7
241.16000	1.6
243.09926	1.7
243.17485	3.5
245.15498	1.6
249.16464	2.2
250.09616	6.1
252.99542	1.9
253.15869	5.7
257.19006	1.7
259.20392	1.4
267.17419	5.1
271.09479	2.4
271.16873	13.5
277.15771	1.7
277.21616	3.7
283.10257	6.8
284.10535	2.5
285.18484	14.6
287.19940	2.2
289.17957	6.1
295.16962	9.3
303.19452	3.5
313.17960	18.7
316.09018	2.2
331.11975	25.0
331.18985	76.7
332.11957	2.2
332.19492	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.05500	2.6
57.07075	87.6
58.07393	1.4
59.85009	0.9
67.05500	8.3
69.03429	7.9
69.07076	4.9
70.17896	5.0
71.04979	1.0
71.08608	4.0
79.05479	3.2
81.03413	10.2
81.07059	8.3
83.08631	1.2
85.02889	2.1
85.06542	84.8
85.10178	2.1
86.06814	1.8
88.07598	2.5
91.05472	2.9
93.07043	5.3
95.04958	9.5
95.08608	7.8
97.02891	100.0
97.06525	2.2
97.10179	1.7
98.03197	0.9
98.98465	60.7
99.04441	3.1
100.98880	1.7
103.07567	3.3
105.07036	4.4
107.04934	1.5
107.08585	7.8
109.02882	45.6
109.06504	2.5
109.10155	11.5
111.08012	1.3
116.99488	2.6
117.07025	1.7
119.08568	5.1
119.99490	0.9
121.06505	2.5
121.10184	5.0
123.04405	4.3
123.08080	1.9
123.11690	3.3
127.03915	85.8
128.04231	1.6
131.08578	2.6
133.06459	1.8
133.10088	5.0
135.08072	2.6
135.11681	2.6
137.05948	1.3
137.09590	2.9
137.13171	1.0
140.01062	2.1
141.05447	2.9
143.08565	1.8
145.10123	4.1
147.08072	1.7
147.11678	2.3
149.13271	2.0
151.11182	2.4
155.08513	1.2
157.10127	1.7
159.06564	1.1
159.11665	2.0
161.09593	1.7
161.13220	2.1
163.11130	2.2
169.10114	1.6
171.11758	1.7
173.09628	1.4
173.13272	1.2
174.99219	3.9
176.98940	5.9
181.08578	9.3
185.09615	1.9
185.13216	1.3
187.06073	1.5
187.14847	1.3
189.16347	2.7
191.14278	1.0
191.17876	3.4
203.10559	1.3
205.15886	1.1
211.09637	12.8
213.12759	1.2
221.11658	1.1
225.16298	1.4
239.23636	1.8
275.12775	2.5
285.18481	1.1
295.20462	2.3
313.17990	4.1
313.21603	4.5
313.27319	3.7
313.32770	1.5
331.04620	1.2
331.18973	21.1
331.22681	5.0
331.25842	1.7
331.33945	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	331.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88219	2.0
53.03946	3.2
55.01871	5.6
55.05503	6.5
56.60302	2.1
56.96576	3.3
57.03428	4.4
57.07069	3.8
58.19765	2.2
59.05001	21.0
59.79882	1.9
60.62413	1.9
61.02914	5.2
63.05311	2.1
67.05503	14.2
69.03428	20.1
69.07058	5.4
70.06582	5.5
71.04986	15.3
71.21916	3.6
79.05486	17.0
81.03426	8.3
81.07057	44.6
82.07372	1.9
83.04964	5.9
84.04488	4.2
84.08128	1.9
85.02907	44.2
85.03420	2.2
85.06564	3.0
86.09713	9.4
87.04452	2.9
87.05613	2.2
89.60040	2.1
91.03978	2.1
91.05477	19.0
93.07047	34.1
95.04976	12.1
95.05515	1.8
95.08588	13.6
97.02890	18.3
98.97598	4.8
98.98464	100.0
99.04469	3.5
100.98891	3.9
105.07021	20.5
107.08590	39.7
107.48009	2.1
109.02889	5.8
109.06505	13.7
109.10159	37.0
110.97594	2.4
111.04433	2.7
111.08083	14.1
116.98658	2.9
116.99459	4.0
117.07051	2.1
119.08569	5.1
120.08105	3.2
121.06509	2.9
121.10136	3.1
121.24744	2.1
121.58327	2.0
123.08039	4.5
123.11716	39.3
127.03921	48.5
128.07057	2.3
129.07004	2.3
131.08589	5.6
133.02849	2.8
133.06537	3.5
133.10136	42.3
134.99683	4.1
135.11699	4.3
137.05951	6.2
145.04988	8.3
145.06335	1.8
145.10048	3.1
147.04378	3.7
148.11217	9.1
151.07539	4.6
151.09947	4.6
151.11180	91.5
153.01912	2.1
157.10149	3.3
161.06030	2.7
169.12210	13.2
171.11667	2.0
173.13066	2.6
174.99213	7.1
175.11179	3.7
176.98923	13.2
177.00392	1.9
179.07104	3.6
187.05939	3.3
192.10196	3.1
193.12302	2.9
194.11760	75.5
201.12535	2.3
237.02736	2.2
259.77237	2.4
285.18350	2.4
310.50369	2.0
313.03412	6.9
313.18021	2.3
331.11746	8.9
331.18939	7.3
332.22214	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	331.1749
Annotation	1,1,5-Trimethyl-2-hydroxymethyl-(5)-cyclohexene-(4)-one-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	5.8
54.61478	1.7
55.01870	5.1
55.05510	5.3
57.03437	3.4
57.07064	5.2
59.04998	31.8
61.02933	4.1
62.42481	1.8
67.05499	11.2
69.03428	13.8
69.07055	4.2
70.06582	2.5
71.04997	11.3
71.24100	4.1
73.02921	3.1
79.05498	16.1
81.03413	5.3
81.07056	47.9
83.04972	3.4
83.08641	3.2
83.29137	1.7
85.02905	39.4
86.09733	3.1
91.05477	16.5
93.07037	33.8
95.04996	9.5
95.08602	5.4
97.02869	12.3
97.06474	2.2
98.98466	44.9
99.04453	3.4
100.07652	2.0
103.05482	1.8
105.07031	17.3
107.08601	32.0
109.02879	3.5
109.06505	15.1
109.10155	50.1
111.08074	12.4
116.99522	2.5
119.08589	6.2
121.10156	5.6
121.83813	1.7
122.02695	3.5
123.08073	4.5
123.11714	51.0
127.03920	14.8
131.08546	5.6
133.10123	59.5
135.08044	3.4
137.05963	2.7
145.04976	8.4
145.10167	2.2
147.11708	7.4
148.11145	4.2
151.11182	100.0
152.11530	3.0
156.74416	1.8
169.12213	13.7
173.12936	2.5
175.11186	4.4
176.98947	3.9
193.12236	10.4
194.11757	31.1
197.15517	2.5
211.13353	3.2
279.60452	2.1
288.25644	1.8
315.12372	3.0
331.04550	2.0
332.15155	4.1
332.22192	5.3
346.71796	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1749
Annotation	1,1,5-Trimethyl-2-hydroxymethyl-(5)-cyclohexene-(4)-one-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.87649	2.0
53.03939	4.5
55.01862	3.8
55.05506	5.9
57.03434	4.8
57.07073	4.6
59.05004	38.9
61.02927	4.7
65.03932	2.4
66.39427	2.0
67.05505	15.5
67.14597	2.0
69.03419	15.5
69.07067	7.8
69.44873	4.5
69.45290	17.2
71.04984	13.3
79.05490	14.6
81.03414	6.5
81.07056	59.4
83.05001	10.5
83.08640	4.8
85.02905	41.1
87.04459	2.3
91.03970	3.0
91.05479	17.4
93.07042	39.1
95.04971	8.6
95.08620	10.8
97.02884	14.4
97.06537	2.3
97.07643	3.1
98.98463	82.5
99.04497	3.1
105.07025	17.9
107.08591	33.8
109.02870	2.1
109.06526	22.2
109.10151	57.2
111.08081	17.2
116.99481	2.4
119.01945	2.4
119.08587	11.1
121.06483	2.2
121.10150	6.4
123.08071	6.7
123.11700	52.8
127.03919	35.2
131.08603	6.6
133.06499	12.3
133.10132	41.6
135.07977	3.3
135.11732	2.7
137.05975	6.0
143.08559	4.4
145.04959	8.0
145.10115	5.0
147.08112	2.8
149.09653	3.0
151.07578	6.5
151.11180	100.0
153.12654	2.7
157.10130	4.6
159.11679	2.8
167.08617	2.6
169.12256	11.4
171.11723	3.6
172.95303	3.3
173.13368	2.4
174.99219	5.2
176.98923	10.8
183.11703	3.1
185.13213	2.3
189.09105	3.2
211.11076	2.5
211.25201	2.2
227.04076	2.3
232.74452	2.2
267.17508	3.7
287.12933	2.7
313.18060	5.3
331.04538	2.7
331.11594	10.0
331.19141	8.3
332.22342	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	331.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01883	6.3
55.05502	7.1
57.03432	5.6
57.07070	2.8
59.04998	36.1
61.02908	7.3
67.05495	14.5
69.03434	19.0
69.07045	4.0
69.77377	16.7
71.04981	18.1
73.02924	2.6
79.05482	18.0
81.03401	10.2
81.07058	59.8
83.04939	4.7
83.08646	2.7
85.02905	45.5
91.05490	16.1
93.07039	40.3
95.04955	11.1
95.08593	7.6
97.02901	12.8
97.06498	4.4
98.21481	5.4
98.88958	2.6
98.98463	60.2
98.99110	3.3
99.04434	3.8
100.98901	2.6
105.07030	26.6
107.08587	39.6
109.02891	4.6
109.06507	17.0
109.09459	4.7
109.10155	62.8
111.08079	18.6
116.99477	2.6
119.08578	7.5
121.10181	5.0
122.02729	2.5
123.08038	5.2
123.11712	49.1
124.12057	2.3
127.03911	45.9
131.08594	6.3
133.10123	58.8
135.11691	2.7
137.05998	5.4
139.07460	4.0
140.29391	2.5
145.04953	6.3
147.11664	8.1
149.09523	3.0
151.07556	4.4
151.11182	100.0
152.11563	4.0
157.10135	3.6
169.12256	14.6
173.58864	2.7
175.11304	4.8
176.98923	6.8
193.12228	20.1
211.13246	4.6
331.11862	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	331.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57404	1.2
52.61681	1.1
55.01863	5.2
55.05499	4.4
56.96573	1.5
57.03455	2.8
57.07072	3.3
59.05000	12.6
61.02925	2.6
61.92950	1.1
67.05506	7.6
68.99804	1.2
69.03430	10.1
69.07059	3.6
70.06575	1.4
70.72339	1.6
70.72662	3.3
71.05000	6.6
73.02911	1.4
79.05487	9.2
79.26421	1.4
81.03410	5.6
81.07059	24.6
83.04980	12.7
83.08620	2.1
84.04501	2.7
85.02908	19.0
86.09706	5.6
87.39352	1.1
91.05484	12.0
93.07044	20.4
95.04962	7.9
95.08606	8.1
97.02906	8.2
97.06525	1.1
98.98466	100.0
99.04430	2.0
100.98909	1.6
105.07036	11.5
107.04962	1.9
107.08582	16.9
109.02861	3.4
109.06502	9.2
109.09460	2.0
109.10165	27.9
109.10913	1.8
111.04449	1.3
111.08076	7.8
116.99484	4.5
117.07053	1.5
119.04954	3.5
119.08565	5.2
121.06525	5.2
121.10155	2.9
123.08074	2.9
123.11697	23.8
125.07004	1.1
125.09582	1.7
127.03918	47.1
128.06194	1.5
129.07010	4.0
129.56325	1.1
130.02225	1.3
131.08565	3.6
133.06496	3.0
133.10143	19.4
135.00778	1.8
135.04420	2.0
135.08058	2.8
135.11710	2.2
137.05988	15.6
137.09651	1.5
143.08533	1.8
143.81934	1.2
145.04971	3.2
145.10117	2.4
147.08031	2.5
147.11714	1.8
149.06000	3.7
151.03912	5.0
151.07562	19.2
151.11189	44.9
156.09358	1.3
157.10164	1.7
159.11693	3.4
161.05986	4.8
161.09624	1.7
163.07498	4.0
165.07002	3.0
165.09196	1.7
167.08575	3.4
169.10062	2.0
169.12247	9.1
171.11707	1.7
174.99232	4.5
176.98924	8.9
178.07687	1.8
179.07011	3.0
181.06468	3.1
182.07295	2.3
183.11642	1.4
185.13290	1.7
188.32071	1.3
189.09122	4.8
193.06487	1.7
193.10332	1.2
193.12300	1.5
195.08028	4.7
205.06473	1.2
207.06522	4.8
210.06604	1.4
211.07507	1.3
215.11960	1.9
221.09630	1.7
223.07542	2.0
225.09053	3.0
227.10590	6.2
238.06265	1.7
243.11372	10.5
252.99731	2.0
253.08612	3.9
253.12177	2.5
255.10065	6.3
267.17325	1.5
271.10757	4.4
272.10880	1.6
281.11859	1.5
285.11578	5.4
285.18442	3.2
287.12830	6.7
295.16904	1.5
303.13354	5.7
313.11639	5.5
313.14825	2.0
313.17969	3.9
319.74838	1.2
331.04416	2.0
331.11972	7.2
331.15738	1.4
331.19009	6.3
331.22406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01863	1.8
55.05499	2.5
57.03432	0.9
57.07067	1.4
60.35338	0.8
62.07998	0.9
65.03941	2.2
67.05506	2.8
69.03426	5.5
69.07059	1.6
70.06588	3.6
71.05000	2.2
71.58603	0.9
71.59010	0.9
72.08159	2.6
79.05490	4.8
81.03426	4.5
81.07057	3.9
83.04988	2.2
83.08608	1.5
84.08183	1.0
85.02910	3.1
86.06052	1.2
86.09689	4.9
91.05486	27.1
93.07027	3.1
94.04171	2.2
95.04962	6.3
95.08613	3.6
97.02918	4.3
98.98470	100.0
99.04448	1.1
100.98897	2.3
103.05458	3.9
105.07053	5.9
106.06574	0.9
107.04952	9.2
107.08610	1.2
109.02885	2.6
109.06504	4.4
109.10128	1.4
111.04445	2.2
111.08096	1.1
114.05518	1.6
115.05451	2.6
116.07057	1.4
116.98743	1.0
116.99501	4.9
117.03368	1.2
117.07022	2.2
119.04949	18.5
119.08580	2.6
121.02898	1.9
121.06501	7.5
122.03632	7.9
123.08114	1.8
123.11696	0.9
124.07572	6.8
127.03924	86.0
127.07521	1.4
128.04274	1.7
128.06215	2.7
129.07022	13.8
131.04932	5.8
131.08623	1.3
133.02888	1.2
133.06503	3.5
133.10138	1.6
135.04411	1.7
135.08035	6.1
136.05208	3.0
137.05980	70.0
139.07581	1.1
139.78250	1.0
141.07109	1.0
142.03221	1.3
143.04915	1.4
143.08557	0.9
144.29738	1.0
145.05070	1.0
145.06540	3.4
145.10208	1.1
146.03552	1.5
147.04411	2.2
147.08086	1.6
148.05122	1.1
149.05986	13.2
150.06743	1.0
151.03967	3.3
151.07552	95.5
152.06197	2.9
153.07021	1.7
155.08546	1.7
157.06509	10.3
159.08067	1.9
161.05991	14.2
161.09612	5.4
162.05530	21.8
162.06750	1.3
163.03922	2.8
163.07541	20.8
165.07022	11.3
165.09146	5.4
165.10439	1.2
166.07788	2.5
167.08569	17.9
169.06540	1.6
169.12221	1.8
172.15260	1.0
174.06815	6.0
174.99295	4.7
175.07556	4.4
176.98923	9.0
177.05582	1.6
177.09143	1.6
178.07820	5.6
179.08594	1.2
181.05066	2.0
181.06505	4.4
181.10051	1.1
182.07286	3.8
183.08086	2.1
184.08772	1.6
185.13257	1.0
187.06044	1.8
187.07642	1.5
189.07387	2.0
189.09105	32.5
191.08549	1.8
192.09390	1.5
193.06497	6.8
193.08632	1.2
193.10144	7.2
194.07283	2.2
195.08057	22.2
195.09799	1.8
196.08763	1.9
197.05991	4.8
197.09653	1.4
198.11304	1.0
199.07610	1.3
202.07695	1.0
203.08554	1.9
205.06581	1.3
206.07300	1.7
207.08186	1.7
207.10121	8.1
209.06007	3.0
209.09631	3.7
210.06764	8.4
211.07433	4.4
212.08366	5.6
214.16383	1.0
216.12181	1.5
217.12682	2.1
219.08051	1.1
220.08913	1.5
221.06068	7.7
221.09593	9.5
222.06781	1.4
223.07555	10.2
224.08362	4.0
225.05363	2.0
225.09081	9.2
226.06367	1.1
227.07042	3.3
227.10675	27.7
234.06630	1.0
237.05524	1.2
237.09146	2.5
238.06248	6.9
238.09995	1.4
239.07089	3.0
239.10945	1.1
240.07765	2.6
240.09943	1.0
241.08562	1.7
241.12291	1.7
243.10045	1.0
249.09145	5.2
251.06895	1.4
252.07837	2.9
252.99831	1.8
253.08629	13.4
253.12265	14.5
254.09471	1.2
255.06438	2.0
255.10181	28.5
256.10754	1.9
259.13312	2.1
267.10266	5.6
269.08115	5.0
269.11639	2.8
270.08835	1.9
272.10495	3.6
280.10696	1.5
281.11691	7.2
285.11191	15.3
287.12790	54.0
299.12717	1.1
301.14285	2.2
313.11633	4.2
313.14825	12.7
313.18076	1.9
331.12195	4.2
331.15472	5.0
331.19128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03986	1.6
53.16791	1.5
55.01885	1.7
61.02916	1.7
65.03934	2.4
67.05506	4.0
69.03416	4.7
69.07049	2.4
69.26303	9.4
69.26730	9.6
71.04984	2.4
79.05502	6.5
81.03409	4.5
81.07043	4.4
85.02903	5.7
86.09692	5.2
91.05480	35.2
93.07056	3.8
94.04200	4.4
95.04979	8.4
95.08627	3.0
97.02914	2.6
98.20697	3.7
98.98470	93.8
100.98872	1.9
103.05463	10.3
105.06996	8.4
107.04958	19.9
107.08631	2.4
109.02898	2.3
109.06522	4.7
109.10161	5.1
111.08088	2.2
112.91106	1.7
115.05454	4.5
116.99519	3.3
117.07016	3.6
119.04958	18.7
119.08579	2.3
119.37822	1.9
121.06506	11.2
122.03679	5.7
123.08043	2.4
123.11742	2.0
127.03915	32.9
128.06229	6.3
129.07014	17.3
131.04933	7.2
131.08594	2.3
133.06511	4.0
135.08083	6.7
136.05208	3.3
137.05983	82.3
143.04962	2.3
145.06514	3.0
146.07346	2.3
147.07988	2.2
148.05200	2.9
149.05983	15.8
150.09167	2.0
151.03920	4.0
151.07549	100.0
151.09506	4.1
151.11188	4.5
152.06149	4.5
156.05772	1.8
157.06560	10.3
159.08124	2.1
161.05983	42.8
161.09608	8.1
163.03940	2.8
163.07550	30.8
165.05794	2.0
165.06987	10.6
165.09123	3.9
165.62129	1.9
166.07765	3.4
167.08534	17.7
169.12265	2.2
174.06775	7.9
174.99248	4.1
175.07590	4.4
176.06912	2.0
176.98956	10.0
177.06900	2.5
177.09106	2.9
178.07813	5.2
179.08575	2.8
181.06514	4.0
181.08658	4.9
182.07257	3.6
189.07420	3.1
189.09120	48.4
189.10750	3.7
191.08681	1.9
192.09460	2.5
193.06490	6.5
193.10161	7.5
194.07307	3.0
195.08046	28.6
197.05952	6.2
197.15443	3.2
199.11366	1.9
203.08701	2.3
207.10170	26.7
209.05977	2.6
209.09749	2.8
210.06804	7.2
211.07617	5.2
212.08377	4.9
221.06076	9.0
221.09575	9.9
223.07550	14.3
224.08292	3.0
225.09062	11.1
227.07132	2.4
227.10654	27.6
237.09045	3.9
238.06204	6.0
239.07031	2.0
239.10780	1.9
240.07967	3.1
241.08536	2.7
241.12329	2.6
249.09053	8.7
252.99869	2.2
253.08656	14.7
253.12238	18.7
255.06302	1.8
255.10161	33.2
267.10333	4.0
269.08057	5.1
269.11737	5.0
272.10480	3.6
281.11676	7.8
285.11212	22.4
287.09604	3.2
287.12790	54.4
299.12659	2.5
301.14337	3.0
313.03500	8.5
313.14386	20.8
331.04611	3.7
331.11810	5.4
331.15445	11.1
331.19046	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01857	2.9
55.05507	8.0
56.96541	2.9
57.03423	1.1
57.07076	1.4
59.04996	1.6
65.03925	1.9
67.05173	1.3
67.05503	17.2
69.03424	9.2
69.07061	8.1
71.04970	2.5
71.08620	1.1
71.59269	1.7
73.02921	1.4
77.03915	1.1
79.05487	17.9
81.03405	4.8
81.07053	29.8
83.04983	21.4
83.08620	2.4
85.02894	3.9
85.06516	1.8
86.19039	1.0
91.05477	34.2
92.05749	1.1
93.07037	34.6
93.07626	1.8
95.04973	11.6
95.08604	56.4
97.02882	6.7
97.06538	5.5
98.03648	1.9
98.97573	6.5
98.98461	44.5
99.04443	1.9
103.05456	5.0
105.03416	1.4
105.07027	39.9
107.04960	7.8
107.07858	2.0
107.08590	39.6
108.05716	1.4
109.02867	2.6
109.06514	24.7
109.10156	15.3
110.07273	1.0
111.04427	11.8
111.08070	8.5
113.05988	3.2
115.05461	2.6
116.98602	5.7
116.99402	1.9
117.07030	5.6
119.04939	7.9
119.08577	42.9
121.06496	13.8
121.10135	49.1
122.03603	1.5
123.04391	1.7
123.08060	34.3
123.11694	8.8
125.05970	3.3
125.09621	100.0
127.03915	30.5
127.07564	1.1
128.06190	5.1
129.06992	10.7
130.07768	1.2
131.00131	3.2
131.04924	2.4
131.08562	8.1
133.06490	13.8
133.07460	1.7
133.10132	38.6
134.99632	1.6
135.04413	2.0
135.08038	11.7
135.11682	7.9
136.05190	1.6
137.05965	33.8
137.09596	4.4
139.07527	2.9
141.07022	1.7
142.07719	3.2
143.04942	1.3
143.08575	12.2
145.06487	3.9
145.10110	12.9
146.07220	2.6
147.04346	1.5
147.08032	15.3
147.11664	7.3
149.01205	2.6
149.05980	5.3
149.09622	3.8
149.13232	2.1
151.03979	2.1
151.07535	63.0
151.11131	7.7
152.06190	1.9
153.07022	1.9
153.09062	1.3
155.08574	5.1
156.09338	2.6
157.06491	5.7
157.10115	13.9
158.07153	1.0
158.99615	2.8
159.08066	2.9
159.11670	10.4
161.06026	4.8
161.09610	22.7
161.13225	2.9
163.03909	3.9
163.07541	9.0
163.11182	5.0
165.06982	6.7
165.09113	17.4
166.07816	2.0
167.07159	2.0
167.08543	8.0
167.10596	2.1
168.05748	1.2
168.09317	1.3
169.06532	1.7
169.10104	6.2
170.10889	2.2
171.08034	2.1
171.11678	8.0
173.01251	2.5
173.09650	5.7
173.13301	6.1
174.06766	3.4
174.99187	2.1
175.07555	3.0
175.11203	6.8
175.14809	1.8
176.98933	3.7
177.00697	3.7
177.06830	1.0
177.09108	3.8
178.07748	2.5
179.08458	1.7
179.10663	15.2
181.06435	1.8
181.10066	3.0
181.12250	2.2
182.07220	1.3
182.10902	1.1
183.08029	2.6
183.11638	6.7
185.09592	4.2
185.13234	6.4
187.06000	1.2
187.11191	5.1
187.14798	4.1
189.09100	26.1
189.12682	2.7
191.02219	3.6
191.10669	3.0
191.14284	1.3
192.09341	2.2
193.06505	2.3
193.08560	1.0
193.10225	4.5
194.07187	1.7
195.08047	10.5
195.11636	2.0
197.05971	2.9
197.09573	3.4
197.13246	6.2
199.11090	3.4
199.14861	2.8
201.12686	3.6
203.10655	3.4
203.14287	1.5
207.10115	14.6
207.11794	1.5
209.05907	1.3
209.09634	2.8
209.13171	2.5
210.06717	4.8
211.07562	2.6
211.11159	3.5
211.14806	5.2
212.08266	3.0
213.09048	1.1
213.12758	2.8
215.10692	2.4
215.14305	3.1
215.17876	0.9
217.12144	1.8
219.01729	2.5
219.13728	3.4
221.05972	4.0
221.09715	4.6
222.06760	1.7
223.07520	4.7
223.14845	1.5
224.08340	2.8
225.09055	5.7
225.11191	13.3
225.16341	4.4
227.07156	2.2
227.10635	12.0
227.14301	3.4
227.17870	1.1
229.12215	3.4
229.15863	5.8
231.13837	1.7
233.15344	6.6
234.14212	1.2
235.14813	2.6
238.06311	2.6
238.09764	1.5
239.06958	2.0
239.17990	4.4
240.07808	2.1
241.08574	1.2
241.12122	1.1
241.15857	1.3
241.19513	1.3
243.13866	1.9
243.17494	3.0
244.99643	6.0
249.09079	1.9
249.16339	2.5
251.17860	1.4
252.99750	1.3
253.08604	6.7
253.12277	5.7
253.15839	7.2
255.06415	1.3
255.10143	12.7
257.07993	1.2
257.18958	3.4
263.00705	2.3
266.04727	1.0
267.10281	2.0
267.17380	8.7
269.07968	1.5
269.10931	1.2
271.16891	14.0
272.10477	1.3
277.15778	1.6
281.11612	1.7
285.11230	8.9
285.18420	13.3
287.12750	21.6
287.20010	1.3
289.17941	10.6
295.16922	8.7
297.18402	1.4
303.19501	2.9
310.10693	1.6
313.14294	7.1
313.17953	20.6
315.19339	2.2
323.02744	1.3
331.12027	14.3
331.15649	3.8
331.18994	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03946	2.0
55.01862	1.7
55.51828	1.0
56.96574	1.5
61.45677	1.0
65.03925	1.9
67.05496	2.6
69.03439	5.0
69.07066	1.6
69.99990	4.6
79.05482	4.3
81.03404	4.0
81.07075	5.2
85.02896	4.4
91.05486	28.2
91.93582	0.9
93.07054	4.6
94.04153	3.1
95.04971	6.4
95.08616	2.2
97.02896	7.3
97.07658	3.9
98.21445	1.1
98.98470	60.2
99.04415	1.7
103.05496	5.9
105.07034	7.9
107.04954	8.1
107.08584	3.2
109.02869	3.2
109.06510	8.4
109.10110	1.3
110.97533	1.5
111.04470	1.5
115.05444	2.9
116.98652	1.6
116.99461	1.8
117.07004	2.5
119.04952	17.4
119.08558	5.4
121.06526	6.9
122.03667	8.1
123.04403	1.2
123.08031	3.0
125.05990	2.1
127.03925	64.9
128.04295	1.4
128.06206	4.8
128.98611	2.0
129.06125	1.6
129.07016	15.1
131.04916	4.4
131.08591	2.9
133.06464	5.0
133.10106	2.6
135.08061	7.6
135.11751	2.1
136.05174	2.9
137.05986	79.5
139.07579	1.5
141.06978	1.6
143.08545	1.5
145.04964	1.2
145.06487	3.7
146.07274	1.7
146.99698	1.1
147.04408	1.7
147.08034	1.8
148.05206	2.0
149.05992	15.9
151.03905	3.9
151.07552	100.0
152.06204	3.7
153.06889	3.1
156.05797	1.2
157.06490	13.6
157.10083	1.6
159.04355	1.1
161.05992	17.0
161.09572	5.7
163.07555	25.3
165.05704	1.6
165.07024	12.4
165.09113	4.4
165.92096	1.0
166.07753	2.6
167.07060	3.4
167.08574	13.9
169.06470	2.8
172.95259	2.9
173.13289	1.8
174.06721	6.4
174.99240	3.0
175.07568	5.5
176.98912	6.0
177.06836	1.2
177.09126	2.5
178.07784	5.1
179.08536	3.2
181.06465	4.1
181.08655	1.6
181.10129	1.9
182.07256	6.3
183.08014	1.5
184.08725	1.4
185.09543	1.2
187.06021	1.9
189.09126	38.2
190.96251	1.6
191.07050	1.3
191.08734	1.4
191.10512	1.3
192.09271	1.7
193.06516	8.4
193.10126	9.1
194.07280	4.1
195.08058	19.1
196.08789	2.1
197.05956	4.5
197.09596	2.3
199.11250	1.4
202.07774	1.7
203.08537	2.8
205.06480	1.6
206.07312	2.4
207.08188	2.3
207.10158	8.8
208.05142	2.0
209.05670	9.6
209.09598	2.9
210.06773	11.5
211.07472	4.7
212.08307	5.3
213.05408	1.4
213.09013	1.3
215.06732	1.2
219.05911	1.2
219.08041	1.7
220.08836	2.3
221.06007	9.7
221.09578	12.0
222.06834	2.0
222.10387	1.5
223.07512	13.1
224.08342	4.9
225.05566	1.8
225.09122	12.3
225.16370	1.2
227.07063	2.7
227.10670	27.5
233.16228	1.2
237.05202	3.7
237.09103	4.0
238.06248	6.0
238.09959	2.0
239.06964	3.3
240.07849	4.7
241.08525	1.7
241.12321	2.1
247.07394	1.2
249.09174	6.6
252.07765	2.1
252.99931	1.4
253.08594	16.5
253.12242	16.2
255.06169	3.2
255.10184	32.8
257.08139	1.4
263.10794	1.5
267.10068	4.9
269.04120	1.4
269.08173	5.7
269.11761	3.5
270.08505	9.9
271.09637	5.1
272.10635	5.5
281.11713	8.3
283.05444	1.2
284.10446	2.0
285.11252	21.2
287.12796	54.5
288.09686	1.3
288.12930	1.7
298.11688	2.1
299.09164	2.8
299.12674	1.2
301.06744	1.4
301.14297	1.4
309.07263	1.3
310.08957	6.2
310.58978	2.0
311.08868	1.2
313.08139	1.1
313.14426	19.6
313.17908	2.8
315.08606	1.6
316.08981	16.0
330.59973	1.1
331.11426	30.1
331.15390	12.5
331.19080	6.4
332.11981	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01856	5.2
55.05513	18.6
57.03437	6.8
61.02895	1.9
67.05505	11.2
68.99786	1.7
69.03430	22.7
69.07069	10.0
70.01933	3.7
70.02347	3.1
70.96930	1.2
71.04996	13.6
73.02899	2.4
79.05498	11.7
79.44286	1.4
81.03423	16.1
81.07063	18.6
82.04180	1.4
83.04975	9.8
83.08620	11.8
85.02908	13.2
87.00816	5.7
87.04485	1.8
91.05482	14.4
93.07050	16.0
95.04957	5.4
95.08616	17.9
97.02892	17.5
97.06500	4.9
97.07632	4.7
98.20788	1.5
98.98467	100.0
99.04443	6.4
99.08076	3.1
100.98853	1.8
103.03876	1.4
103.05476	2.0
105.01870	1.7
105.07027	5.7
107.04959	3.6
107.08580	7.6
109.02872	6.9
109.06506	6.0
109.10148	4.3
109.19861	1.5
110.10544	1.3
111.04421	3.4
111.08072	19.9
113.09633	9.3
115.03939	7.5
116.99490	2.9
117.07022	3.2
119.04901	2.2
119.08572	6.7
121.06500	5.2
121.10147	3.2
122.03580	1.4
123.08036	9.4
125.09618	2.8
127.03918	52.4
129.07005	4.8
131.04970	1.9
131.08559	3.1
133.06509	3.1
133.10129	3.4
135.08051	11.2
135.11656	3.3
137.05978	11.7
137.09601	2.8
139.07503	13.1
139.11128	2.0
141.09113	18.3
145.10135	4.0
147.08023	2.5
149.06062	3.1
149.09619	3.8
151.07547	18.7
151.11150	1.4
153.09123	4.6
154.94206	2.8
155.10701	2.6
157.06456	2.1
161.05977	2.5
161.09628	2.7
163.07512	3.6
163.11142	2.1
165.06987	2.6
165.09138	3.2
167.07079	2.3
167.08522	2.8
167.10649	2.7
169.06473	1.5
171.11739	2.4
172.95215	5.1
173.09608	1.5
174.99231	5.8
176.98891	8.9
178.07655	1.3
179.10667	3.0
181.06499	2.3
183.08078	1.3
189.09111	5.9
190.96283	2.9
191.10733	6.3
193.10291	1.4
194.07124	1.4
201.04036	1.5
203.40706	1.3
207.10164	1.9
209.05649	2.6
209.11734	21.3
211.07510	3.0
221.09676	1.6
227.10635	4.1
227.12724	2.2
231.04938	2.0
252.99625	2.2
253.08650	2.7
253.12422	2.2
254.99385	1.5
255.06398	1.8
255.10188	2.4
277.21552	3.1
285.11194	2.0
287.12909	6.5
291.06552	3.4
295.11765	16.1
309.07828	2.8
313.13168	1.4
316.08994	2.2
327.08826	3.0
331.05042	1.4
331.11755	21.0
331.15152	1.9
331.19012	2.8
331.22568	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
56.96571	1.2
57.07071	2.6
61.02903	0.7
63.02849	0.6
67.05495	1.5
69.03429	3.8
69.07073	1.2
70.72240	1.2
70.72600	1.3
71.08633	2.4
72.08171	3.9
73.53088	0.6
80.62803	0.7
81.03429	3.0
81.07057	2.0
83.04977	0.6
83.08636	0.6
84.08127	1.1
85.02911	2.8
85.10194	1.0
86.09720	2.6
91.05511	1.2
93.07053	1.0
95.08618	1.6
96.67457	0.6
97.02898	3.5
98.98475	100.0
99.04437	0.8
100.98895	2.6
105.07009	1.3
107.04915	0.9
107.08583	1.8
109.02886	2.7
109.10159	1.9
111.04488	0.7
116.98707	0.9
116.99493	5.8
119.08595	0.9
123.11687	0.8
124.07581	0.9
127.03926	72.2
128.04280	2.0
133.06477	1.2
133.10172	0.8
135.04440	0.7
137.09689	0.9
140.01112	0.7
145.04988	0.8
147.04437	1.5
151.03943	0.8
151.11168	1.2
152.07092	1.4
164.85863	0.6
169.04965	5.9
170.08118	1.4
174.99239	5.3
176.98969	10.6
177.00546	1.0
177.05533	1.1
183.04376	0.6
186.12427	1.9
187.06064	2.1
200.10342	0.7
207.10181	0.6
214.11914	0.8
218.01746	0.7
252.99776	2.5
254.99544	1.0
313.18073	1.2
313.27371	1.2
327.53030	0.7
331.13666	83.4
332.13995	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	331.1289
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
53.03944	0.5
55.01877	2.0
55.05507	0.6
57.07081	0.6
61.11964	0.3
67.05502	1.4
67.10992	0.3
67.67706	0.3
69.03432	1.3
69.07047	1.1
71.04984	0.8
71.59587	0.5
72.46720	0.3
79.05489	2.1
80.05003	0.5
81.03410	1.0
81.07068	1.6
83.04964	0.6
84.04525	0.3
85.02908	1.0
85.06531	0.4
91.05489	2.2
92.23673	0.3
93.07040	2.2
94.06572	1.5
95.04974	0.6
95.08597	1.5
97.02901	2.1
98.98467	26.0
99.04455	0.6
100.98866	0.6
105.07050	2.7
106.06573	1.6
107.04957	0.6
107.08583	1.6
108.04489	3.8
109.02909	0.5
109.06543	0.9
109.10142	1.0
110.06052	1.0
111.04412	0.5
113.05999	0.5
115.05470	0.5
116.99494	1.1
117.06990	0.4
119.04951	0.6
119.08571	2.4
120.08101	0.4
121.06511	0.5
121.10157	0.6
122.06024	2.6
123.08065	1.1
123.11726	0.5
127.03915	9.6
127.70113	0.3
129.07048	0.7
131.08563	1.0
133.06512	2.8
133.07510	0.5
133.10132	1.3
134.06003	1.9
135.08018	0.5
135.11707	0.7
136.03951	2.3
137.05986	2.7
137.09639	0.5
140.06995	0.4
143.08510	0.7
144.08072	0.6
145.10187	0.8
146.06029	0.6
147.04486	0.5
147.08089	0.8
147.11697	0.4
148.03917	0.3
148.07588	1.2
149.05983	0.6
150.05464	0.8
151.03934	0.5
151.07559	2.7
151.11169	0.6
152.07092	0.5
155.07343	0.3
155.08542	0.5
156.08055	0.4
157.06497	0.9
157.10161	0.5
158.09680	0.5
159.08020	0.5
159.09204	0.5
159.11748	0.6
160.07622	0.6
161.05939	0.6
161.07158	0.9
161.09644	1.1
161.13350	0.5
162.05508	5.5
162.06776	0.6
163.06250	0.7
163.07542	0.9
163.11292	0.4
164.07071	1.6
165.06982	1.0
165.09137	0.6
166.05020	0.5
167.07033	0.4
167.08527	0.6
168.06621	1.1
168.08008	0.4
169.10118	0.6
170.08223	0.9
170.09673	1.1
171.11700	0.4
172.07642	0.4
172.11240	0.8
173.07144	0.4
173.10747	1.0
173.13205	0.6
174.09158	0.5
174.99228	1.7
176.07092	1.5
176.98930	3.1
179.10623	0.5
181.05028	0.6
183.07913	0.5
183.09296	0.8
184.07555	0.6
184.11353	0.4
185.09631	0.7
186.07811	0.8
186.09233	0.5
187.08652	1.9
187.12321	1.1
188.07083	0.5
189.06601	6.5
189.09122	1.2
191.08330	0.4
193.06599	0.4
194.08080	0.6
195.08022	0.3
197.08365	0.5
197.10797	0.5
197.29814	0.3
198.09172	1.3
199.08620	0.6
200.09386	0.9
201.06813	0.5
201.10252	4.5
203.08159	2.5
206.48122	0.3
207.10094	0.7
211.08876	0.7
211.12370	0.5
212.07097	0.8
212.10805	0.6
213.10266	2.2
214.07275	0.7
214.10783	0.5
215.08203	9.1
215.11765	5.2
221.06107	0.4
225.10277	1.2
226.08661	0.8
226.10985	0.6
227.08247	0.9
227.10515	0.5
228.08934	0.8
229.06152	0.9
229.09744	10.6
229.13397	1.5
230.10226	0.5
231.11337	0.7
239.08154	0.8
239.11787	2.4
240.10283	1.0
241.09795	2.5
242.10339	0.6
243.07747	1.9
243.11327	6.8
247.14415	0.7
251.08360	1.0
252.99673	0.7
253.09627	1.4
253.12215	0.5
254.10486	0.9
255.11047	0.7
257.09235	8.2
257.12863	5.6
258.09500	0.5
259.10800	1.0
267.11288	3.5
267.17618	0.4
268.09677	0.6
271.10834	6.4
273.12152	0.4
275.13992	3.5
280.08395	0.7
285.12347	9.9
287.12805	1.0
289.11679	0.5
295.10736	3.9
295.16940	0.6
299.09085	0.7
303.13388	3.4
313.11804	15.8
313.17862	0.9
314.12048	0.6
316.09113	0.4
331.12875	100.0
332.13446	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71793	0.8
52.46085	0.9
55.01875	1.2
55.05511	6.2
56.96556	1.5
57.03429	5.4
57.07073	4.9
59.05006	1.1
67.05505	12.6
69.03419	2.7
69.07072	4.9
69.87994	5.2
70.06587	6.6
71.04961	1.7
71.08629	3.9
79.05486	4.3
81.03404	2.2
81.07050	10.4
83.04974	1.8
83.08616	3.4
85.02884	1.1
87.04462	13.6
88.07639	11.7
91.05475	5.7
93.06548	0.8
93.07046	5.9
95.04977	1.5
95.08613	9.2
97.02898	2.1
97.06516	2.8
97.10164	3.7
98.98465	100.0
99.08099	1.6
99.98921	1.0
100.98888	1.0
101.06014	39.8
102.09166	5.4
105.07059	4.4
107.08588	4.7
109.06549	1.3
109.10158	6.1
111.08071	1.5
116.99496	4.3
117.07013	1.2
119.08572	5.2
121.10155	2.7
123.11717	3.2
125.09647	3.5
127.03917	34.1
129.07005	1.5
131.08566	1.9
133.10106	2.9
135.11603	1.5
137.09602	1.2
140.01091	1.5
145.10185	1.8
147.11668	1.8
149.13243	2.1
151.11131	0.9
155.10663	2.1
159.11761	1.7
161.13261	2.0
173.11749	6.0
173.13171	1.5
174.99188	4.8
175.14909	1.5
175.99625	1.4
176.98933	7.6
179.14413	1.5
189.11211	4.1
203.14262	0.9
216.63463	1.0
240.38554	0.9
247.82797	0.9
252.99820	1.9
256.26389	16.3
270.27908	3.0
277.21661	7.5
285.07190	1.1
285.18393	1.0
295.22736	6.0
313.17798	1.1
330.13336	1.7
330.30026	54.7
331.19006	5.1
331.30469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01863	1.3
55.05518	8.2
57.03426	3.7
57.07068	4.3
59.05006	1.3
60.04526	2.7
67.05507	19.7
69.03432	3.0
69.07075	9.9
69.96143	5.8
70.04072	1.6
70.06602	1.5
70.16781	1.0
71.04977	2.4
71.08624	2.1
79.05499	8.2
81.03403	3.9
81.07063	19.0
83.04987	5.3
83.08620	6.7
84.04513	6.0
85.06557	1.3
87.04476	6.8
88.07635	2.2
91.05486	6.0
93.07043	12.4
95.04975	3.1
95.08612	13.2
97.06540	2.8
97.10172	4.1
98.20784	1.2
98.98470	100.0
99.08127	1.7
100.98894	1.5
101.06016	3.4
102.05534	2.5
105.07022	6.4
107.08599	6.6
109.02905	1.2
109.06508	1.7
109.10159	11.4
111.08087	1.2
111.32035	1.0
116.99495	4.5
117.07008	1.1
119.08569	6.6
121.10143	5.6
123.08057	1.7
123.11761	5.5
125.09613	3.3
127.03923	39.5
130.05006	4.3
131.08578	2.0
133.06482	1.3
133.10120	3.3
135.08057	1.2
135.11676	1.8
137.09650	1.7
139.11194	4.3
140.01100	2.5
145.10121	2.1
147.11676	4.6
148.06064	4.2
149.09636	1.5
151.11208	1.6
155.10687	4.1
157.10147	1.2
159.11679	2.3
161.09622	1.6
161.13239	2.5
163.14818	1.3
165.12793	2.0
173.11746	14.1
174.99239	5.4
175.11197	1.6
175.14896	1.3
175.99550	1.2
176.98895	7.3
185.13240	2.2
189.11255	2.9
193.12302	3.0
203.14366	1.9
211.13257	2.8
241.06903	0.9
249.22131	1.1
252.99789	1.8
256.26346	1.7
259.20584	1.2
268.30011	3.0
270.27905	1.9
277.21655	12.8
278.21939	1.1
289.19128	1.2
295.22644	8.2
315.09167	1.2
330.29959	11.5
330.33713	9.5
331.18933	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83247	1.8
53.03942	2.8
55.01863	4.5
55.05513	28.0
57.03433	5.7
57.07079	13.3
59.04998	2.1
60.04524	8.1
66.04287	2.1
67.05508	49.7
68.69843	1.7
69.03439	2.4
69.07070	36.9
69.49979	15.4
70.06599	2.2
71.01392	1.7
71.04993	8.6
71.08637	16.0
72.02266	1.9
74.06088	3.4
78.19038	1.9
79.05495	38.3
80.59454	2.1
81.03429	4.2
81.07060	52.4
83.04971	9.7
83.08624	14.9
85.06555	5.1
85.10184	18.4
87.04456	3.1
88.07648	4.2
91.05476	24.8
93.07043	41.9
95.04974	8.0
95.08611	68.6
97.06532	12.0
97.10177	11.7
98.98471	100.0
99.08097	17.9
105.07021	24.1
107.04974	4.1
107.08598	23.6
109.06533	4.6
109.10153	14.8
111.08092	3.3
111.11703	5.1
113.09641	34.9
116.99542	5.4
117.07028	3.5
119.08555	17.6
121.06531	3.2
121.10150	39.8
123.08089	5.1
123.11726	6.3
125.09637	6.7
127.03944	7.2
129.07019	4.4
131.08543	10.8
133.06435	1.8
133.10126	17.1
135.08060	4.5
135.11708	9.3
137.09613	3.0
137.13165	3.1
138.35597	2.1
139.11200	18.0
141.12730	4.1
143.08571	2.7
145.10135	8.5
147.04440	2.5
147.08070	2.5
147.11713	16.6
149.09624	12.9
149.13280	5.3
151.11192	8.6
155.10681	4.4
157.10139	6.6
157.12256	4.6
159.11745	5.5
161.13280	6.7
163.11232	7.5
163.14935	2.3
165.12764	10.7
167.10680	10.2
169.12286	3.2
171.11691	6.7
173.11856	2.5
173.13260	4.4
174.99287	10.0
175.11156	2.4
175.14841	2.9
176.98953	12.3
177.12653	2.4
178.35127	2.0
179.14333	4.8
183.13841	4.3
185.11749	6.9
185.13333	4.9
187.14857	3.5
189.11252	8.8
189.16310	2.4
191.14323	2.1
193.12305	6.1
203.12822	8.1
211.13229	9.3
217.92836	1.7
218.40120	2.0
225.14763	2.1
241.19542	3.4
249.33252	2.0
252.99838	2.9
259.20532	6.6
270.27734	2.0
277.21616	34.1
285.18701	4.1
295.22675	32.9
313.18021	5.8
330.13629	3.6
330.17279	2.0
330.29956	7.2
330.33173	12.3
331.18927	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.9
55.01870	7.1
55.05262	3.4
55.05513	38.6
56.05048	2.2
57.03434	12.8
57.07074	9.4
59.05004	3.5
60.04524	17.8
65.03927	2.2
67.05503	91.9
69.03439	6.4
69.07072	32.3
69.87769	10.9
71.04989	7.2
71.08639	5.3
79.05499	38.6
81.03419	8.4
81.07056	77.8
82.07378	2.7
83.04975	18.1
83.08629	23.2
85.06541	7.6
86.63535	1.8
87.04472	9.7
88.07645	3.6
91.05484	26.0
93.07043	47.3
95.04970	14.0
95.08603	38.5
96.08942	2.4
96.18337	2.3
97.02899	2.7
97.06567	11.1
97.10145	15.9
98.77339	2.1
98.98464	100.0
99.08111	3.8
101.06054	2.7
105.07035	24.6
107.08604	27.3
109.06516	6.8
109.10152	52.2
111.08051	10.4
115.05453	2.6
116.99508	3.1
117.07054	4.5
119.08585	27.1
121.06532	4.3
121.10169	20.0
123.08078	6.5
123.11723	17.7
123.18576	2.1
125.09623	11.0
127.03933	6.6
129.06984	4.7
129.46410	2.0
131.08569	9.1
133.06497	2.4
133.10115	15.5
133.63818	2.0
135.08066	9.6
135.11696	9.5
137.09612	6.9
137.13269	3.6
139.11179	18.5
140.14294	4.7
141.12746	4.8
143.08620	3.9
145.10141	7.4
147.07997	2.8
147.11671	12.1
148.08484	2.4
149.09602	2.8
149.13274	8.6
151.07581	2.3
151.11208	5.6
153.09158	3.0
153.12688	2.7
155.10680	15.4
157.10155	8.8
159.11783	5.1
161.09636	6.0
161.13293	8.6
163.14796	3.1
165.12733	7.0
171.11708	6.1
172.13379	2.5
173.11772	49.8
173.13254	6.6
174.99226	6.7
175.11191	7.0
175.14853	6.2
176.98990	8.0
179.14291	2.0
182.14952	2.7
183.11748	4.0
185.13281	4.4
187.14789	2.2
189.11229	12.1
189.12723	4.2
193.12273	6.8
193.15913	3.6
199.14725	4.2
203.14258	4.1
211.13239	13.4
225.12859	2.4
225.16556	2.4
231.21156	4.5
241.19501	5.2
259.20706	5.1
267.17468	2.7
268.30008	2.4
270.27753	3.4
271.16928	5.7
277.21619	49.1
294.24228	3.1
295.17154	3.0
295.22672	34.7
313.18039	8.5
330.13574	3.4
330.17542	3.5
330.30029	23.3
330.33789	10.3
331.19016	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.3
55.05509	36.9
67.05504	11.0
69.03428	5.6
69.07066	6.7
70.11360	2.7
70.11772	3.1
71.08607	1.7
79.05490	9.2
81.03403	2.7
81.07047	9.9
82.24480	1.3
83.04949	3.4
83.08614	26.2
85.30638	1.0
88.29829	1.1
91.05459	1.7
93.07026	5.0
95.04934	2.0
95.08598	3.1
97.10167	51.5
98.21396	1.7
98.97964	0.9
98.98472	9.6
99.08092	1.7
101.09628	1.4
107.08595	14.3
109.10136	2.9
110.58676	1.0
111.08039	2.2
119.08589	1.8
121.10125	1.1
125.09625	46.1
126.12789	1.6
127.03914	1.6
133.10156	1.4
135.08040	4.6
135.11649	2.3
143.10658	2.3
149.13316	1.4
151.11203	2.3
153.09090	2.5
161.13243	1.3
170.11693	1.8
171.10181	6.1
171.11554	1.1
172.44443	1.1
189.11214	100.0
190.11514	2.4
211.16940	2.0
231.21021	1.1
259.20480	2.4
277.21625	45.0
278.21936	2.8
295.22653	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	330.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
55.05510	15.2
56.05025	2.9
56.96559	2.4
57.03416	1.3
60.04522	6.0
67.05482	2.7
68.05030	5.4
69.03442	7.2
69.07069	13.8
69.14169	1.0
70.20798	4.4
79.05485	3.0
81.03400	1.7
81.07068	3.0
81.14124	1.0
82.06580	1.7
82.11151	1.2
83.08622	45.8
84.04507	99.9
85.02898	2.5
85.30492	1.1
86.06101	2.1
86.09708	19.4
87.08114	1.4
91.05476	2.9
93.07050	4.5
95.04981	2.0
95.08617	3.6
96.04486	7.7
97.02895	59.5
97.06560	1.8
98.21443	1.4
98.98468	100.0
100.98875	2.3
102.74962	1.2
105.07027	2.4
107.08591	1.6
109.02885	1.5
109.10173	1.5
110.06050	1.2
111.04426	1.3
111.08083	16.4
114.05547	10.0
116.99499	4.8
119.01881	1.3
119.08598	2.1
121.06490	3.2
121.10225	1.2
123.08072	1.2
126.05550	1.5
127.03922	30.9
129.09108	2.8
131.08632	1.3
133.06508	3.7
133.10178	2.1
137.05948	1.9
138.05504	84.4
139.05812	1.8
139.07553	2.8
140.01103	2.0
143.01897	1.2
145.06474	1.4
145.10155	1.4
146.11766	7.2
147.04440	2.4
151.07448	1.4
156.06564	5.5
157.08601	4.9
157.13295	5.3
165.09138	2.1
174.07629	20.5
174.99263	6.4
175.09668	42.0
175.11215	2.0
175.99414	1.4
176.98940	8.0
177.00316	1.3
178.05792	2.0
185.12862	3.8
208.05215	5.2
229.10718	29.5
236.04642	1.8
253.10840	4.2
254.05885	1.6
269.08115	4.2
294.13303	2.1
312.14258	6.9
315.08594	10.1
330.11026	13.6
330.15463	31.7
331.12045	6.6
331.15475	2.0
350.51877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2685
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.03938	1.0
55.01856	1.7
55.05510	42.7
57.03440	19.7
57.07076	25.3
59.05002	1.5
62.77468	0.8
63.48579	0.9
67.05504	15.4
69.07067	54.5
70.63471	1.1
70.63814	2.4
71.04971	1.7
71.08276	1.3
71.08631	15.9
73.06544	1.6
75.04476	1.4
79.05486	9.1
81.07055	25.0
83.04975	2.9
83.08616	36.2
85.10179	7.7
91.05481	1.7
93.07052	11.9
95.04878	0.8
95.08047	1.5
95.08608	21.7
97.06529	10.2
97.10170	23.0
98.98465	93.2
99.08092	1.8
101.06010	3.2
107.08598	8.8
109.10155	9.1
111.08073	4.7
111.11712	4.8
115.07569	1.9
116.99513	4.4
121.10139	11.3
123.11693	5.0
125.09651	7.0
125.13245	1.3
129.09103	2.2
135.11676	11.4
137.13234	3.4
139.11194	7.6
140.01068	2.5
143.10678	2.1
145.10146	1.0
146.63162	0.9
149.13257	8.2
153.12750	4.6
155.18393	0.9
163.14842	6.2
167.14297	4.3
171.13828	1.7
174.99246	8.2
176.98889	4.4
177.16350	1.9
181.15800	2.7
183.11610	1.0
194.03296	0.8
219.21083	9.8
220.42467	0.8
225.06052	0.8
237.22115	12.7
238.22516	1.5
243.96516	0.9
251.00055	1.6
255.23312	1.1
311.25873	13.7
329.26843	100.0
330.27127	5.6
330.33618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2323
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.48687	0.6
55.01865	1.2
55.05504	3.3
57.03432	0.9
57.07050	1.1
59.61030	0.5
67.05505	16.9
69.03420	0.8
69.07066	2.9
69.54391	2.5
69.54829	2.3
71.05000	1.1
73.09225	0.6
79.05500	5.7
81.07063	11.0
83.05011	1.2
83.08610	3.9
85.06552	1.4
91.05479	4.7
93.07041	6.1
95.04980	2.2
95.08609	9.3
97.06532	2.9
97.10170	0.6
98.21475	1.2
98.98471	100.0
100.98907	0.9
105.07021	6.2
107.04943	0.9
107.08588	6.3
109.02922	0.6
109.06522	1.7
109.10165	8.2
111.08090	1.4
116.99557	4.0
117.00249	0.8
117.07028	2.4
119.08588	3.9
121.06481	1.2
121.10130	3.6
123.08076	11.5
123.11767	1.1
125.09623	1.2
131.08592	2.6
133.06526	1.1
133.10095	3.3
133.69269	0.6
135.08058	1.4
135.11707	1.9
137.05963	1.1
139.11263	0.7
140.01111	2.0
141.09143	1.5
142.07709	0.6
143.08543	1.5
145.10101	2.9
147.04431	0.9
147.08076	0.6
147.11707	2.5
149.05984	1.0
149.09622	2.1
149.13301	2.2
150.47357	0.8
151.07561	5.5
151.11191	0.8
159.11732	2.4
161.09647	1.0
161.13251	1.4
163.14922	0.9
167.10675	0.9
169.08676	1.2
169.10091	1.4
171.11630	1.4
173.13298	2.5
174.99245	11.6
175.14853	1.2
176.98917	5.9
179.10687	1.3
181.17505	0.7
183.11714	1.0
185.13254	1.1
187.09714	1.7
187.14854	1.7
189.16341	0.9
191.14288	1.1
205.15910	0.7
207.13907	0.7
215.17996	0.9
219.13643	0.7
224.62297	0.7
229.19453	0.8
233.27663	0.6
239.18034	1.9
250.99889	1.3
251.20123	0.9
252.99785	2.6
257.19083	2.0
260.06888	0.7
275.20117	5.8
283.17029	1.0
283.24234	2.9
293.21100	5.6
311.16534	1.1
311.22168	3.8
329.10318	0.8
329.17508	2.8
329.24719	2.3
329.28189	0.6
330.10828	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2323
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.02378	1.4
55.01862	2.4
55.05515	14.1
57.03417	1.1
59.04990	1.3
65.03944	1.6
67.05175	1.6
67.05507	25.5
68.96862	0.9
69.03416	2.0
69.07069	13.2
70.00248	2.8
70.00667	2.7
70.99464	1.0
71.04992	21.8
79.05061	1.7
79.05497	22.4
81.03398	1.3
81.07058	25.5
83.04967	6.8
83.08620	5.3
85.06541	4.8
91.05479	23.7
92.63179	0.9
93.07047	31.1
95.04935	3.8
95.08031	1.7
95.08607	16.3
97.06529	13.9
97.10159	8.7
98.21453	1.2
98.98469	100.0
99.08100	1.1
105.07038	14.4
107.04959	2.0
107.08613	15.9
109.06511	3.3
109.10178	8.4
111.04476	1.2
111.08073	4.6
116.99499	2.8
117.07037	5.2
119.08594	11.2
121.10154	13.0
123.08068	4.4
123.11730	2.4
125.09621	4.4
127.03939	2.8
129.06987	1.7
129.09117	5.5
131.08588	8.2
133.10112	11.8
135.08025	2.2
135.11665	2.5
137.05896	1.4
137.09589	2.5
139.11200	10.3
140.01106	1.3
141.06897	1.2
143.08583	2.4
145.10121	4.2
147.11679	5.1
149.09599	2.3
149.13232	1.7
151.11145	1.1
155.08542	1.9
157.10101	2.0
159.11702	3.2
161.09573	1.4
161.13211	1.3
163.11169	1.2
167.10583	1.4
171.11678	3.1
173.11720	2.5
173.13182	2.0
174.99261	8.0
176.98926	4.5
185.11713	2.8
185.13220	2.1
189.11174	3.0
201.00719	2.3
203.12759	10.5
211.11288	1.1
211.13232	1.8
225.14861	2.6
239.17949	1.9
250.99896	1.1
252.99768	1.8
257.18970	4.2
263.20010	2.3
265.15930	2.3
269.08142	1.0
275.20074	23.8
278.38962	1.1
293.21106	11.4
311.16397	1.5
315.08890	1.8
315.20499	1.1
321.11752	3.0
329.17496	2.6
329.23483	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01297	0.8
50.10006	0.9
55.01859	2.5
55.05505	8.0
56.03818	0.9
57.03431	1.1
67.05167	1.4
67.05502	17.2
69.03418	1.6
69.07071	7.8
70.88727	2.5
71.04994	14.1
75.93891	0.8
79.05119	1.2
79.05496	11.3
81.03389	1.5
81.07060	16.3
83.04976	5.4
83.08614	3.9
85.02873	1.2
85.06535	2.4
91.05476	15.1
93.07040	20.9
95.04948	2.8
95.08048	1.1
95.08601	11.3
97.06539	7.2
97.10159	4.5
98.98463	100.0
105.04533	0.8
105.07024	8.0
107.08598	12.1
109.06492	3.2
109.10149	4.0
111.08058	2.6
116.99484	3.5
117.07007	3.3
119.08611	7.6
121.10128	8.0
123.08040	1.5
125.09647	4.2
129.06993	1.5
129.09158	4.2
131.08583	7.0
133.06416	1.0
133.10133	5.7
135.08051	1.9
135.11697	1.7
137.06009	1.0
137.09622	1.5
139.11134	4.6
140.01106	1.2
143.08563	1.6
145.10100	4.5
147.11684	3.2
149.09583	1.3
149.13286	2.1
157.10051	1.6
159.11659	1.6
161.13200	1.2
167.14188	0.8
169.10097	1.1
171.07974	1.8
171.11749	1.7
173.11810	1.7
173.13216	1.8
174.99210	10.3
176.98897	4.5
185.11748	1.9
187.11188	1.0
189.11247	2.4
201.14763	0.9
202.17442	0.9
203.12776	4.9
209.15288	1.3
225.14819	1.8
239.17831	1.8
252.99730	2.3
257.18967	2.4
263.20084	1.6
269.08209	1.2
275.20081	16.6
293.20953	5.9
315.08755	0.8
329.17291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
67.05502	1.2
69.07060	0.7
70.99052	0.9
70.99400	0.6
72.79040	0.5
77.11582	0.5
80.97028	0.5
91.05497	0.7
93.07037	1.2
95.08627	1.4
98.98469	100.0
100.98869	0.8
105.07043	1.0
107.08615	1.4
116.99519	5.1
119.08581	0.8
121.10141	0.8
133.06480	0.6
140.01114	2.9
145.10143	0.8
147.11719	0.9
157.10155	0.8
159.11768	0.8
161.09593	0.7
171.11710	1.1
173.13269	0.7
174.99234	10.3
176.98955	5.7
199.14891	0.6
209.13383	0.6
216.01921	0.6
241.19424	0.6
251.00064	1.1
252.99825	1.8
262.08502	0.6
269.18848	0.7
279.17514	0.8
297.18564	1.9
301.21701	1.1
311.20151	2.2
311.31525	1.5
329.20895	84.1
330.21249	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	329.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29453	1.3
53.03941	2.8
54.65379	1.1
55.01859	3.7
55.05512	18.4
57.03421	5.1
65.03949	1.6
67.05504	34.3
68.37288	1.2
69.03080	2.1
69.03428	26.7
69.07066	17.7
69.51121	2.8
69.51529	7.2
71.04997	7.6
79.05054	1.9
79.05489	20.5
79.56016	1.2
81.03412	2.5
81.07056	48.3
83.04979	11.4
83.08614	11.3
85.02914	7.5
85.06527	4.4
87.04451	3.2
91.05486	19.7
93.07041	22.4
95.04963	5.5
95.08608	46.3
97.02889	45.2
97.06540	17.3
97.10147	5.7
98.98466	100.0
99.04456	2.3
99.08095	3.5
103.05437	1.4
105.07028	19.6
107.04975	1.9
107.08615	9.0
109.06532	8.5
109.10152	11.5
111.08061	5.4
111.82653	1.1
113.05987	1.6
115.03922	21.7
116.99496	4.6
117.07015	5.2
119.05038	1.2
119.08575	19.0
121.06491	4.3
121.10139	5.4
123.08055	6.8
123.11709	1.5
125.09622	3.0
129.06990	3.1
131.04878	1.7
131.08540	9.3
133.06482	4.0
133.10121	10.2
135.08063	4.3
135.11684	6.7
137.03770	1.2
137.05971	2.9
137.09567	2.9
137.13272	2.4
139.07538	3.8
140.01035	1.6
141.07033	1.2
141.09106	3.8
141.86760	1.3
143.08571	4.5
145.06479	3.0
145.10118	5.1
147.08022	6.0
147.11623	2.1
149.05981	3.1
149.09656	2.2
151.07559	2.0
154.07718	1.1
155.08569	2.0
157.10136	3.5
159.08067	2.7
159.11629	3.8
161.09605	1.6
161.13281	16.1
163.07547	3.0
164.60837	1.4
169.10014	1.8
171.11784	1.9
173.09653	2.5
173.11697	3.3
173.13167	1.4
174.99257	10.2
175.11163	1.7
176.98956	5.1
177.05476	2.2
177.09099	2.4
177.12729	3.1
179.14310	7.4
183.11746	2.4
185.13313	1.4
187.11079	1.4
189.11145	2.2
195.13840	3.0
199.10849	1.5
199.14799	2.8
203.14497	1.2
207.13858	1.7
211.14789	2.0
213.14729	1.6
215.10535	1.7
219.13811	2.2
221.15479	1.3
223.13292	1.9
225.14803	3.1
235.17061	1.9
237.14865	7.9
239.14172	1.9
245.15315	6.1
247.16893	2.9
249.14853	2.1
252.99716	3.0
255.15909	1.3
257.15378	5.1
263.16382	13.2
275.16382	15.0
281.17535	7.9
293.17523	12.5
311.18521	18.5
315.08487	1.7
329.19571	18.8
330.11102	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	329.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01868	2.8
55.05514	10.0
57.03429	3.1
59.04991	1.1
65.03933	1.1
67.05173	1.3
67.05509	17.7
69.03434	13.5
69.07070	7.9
71.05004	3.8
71.59882	0.8
72.21853	0.6
77.01602	0.7
79.05494	10.3
81.03427	1.3
81.06580	1.2
81.07058	22.5
82.07404	1.0
83.04980	5.6
83.08617	7.4
85.02911	4.8
85.06548	2.5
91.05487	11.0
93.07044	11.4
95.04973	4.2
95.08611	22.8
97.02898	22.6
97.06537	12.6
97.10171	3.0
98.28118	0.8
98.98469	100.0
99.04463	0.8
99.08022	0.7
103.05407	0.7
105.07030	9.9
107.08611	6.4
109.06527	4.6
109.10173	7.2
111.04453	1.3
111.08113	1.6
113.05944	0.8
113.09686	0.8
115.03934	10.9
115.05428	0.9
116.99535	3.2
117.07029	2.9
119.08585	9.6
121.06508	2.9
121.10142	3.7
123.08065	3.6
125.05947	0.9
125.09634	2.3
127.07566	0.8
128.06238	1.1
129.07007	2.3
131.08563	4.6
133.06476	1.6
133.10155	5.4
135.08066	3.2
135.11719	2.5
137.05991	2.9
137.09654	1.6
137.13263	2.3
139.07597	0.9
140.01036	0.8
140.73608	0.7
141.06906	0.6
141.09117	1.3
143.08569	2.9
145.06543	1.7
145.10115	3.2
147.04417	1.7
147.08031	3.3
147.11684	1.3
149.09615	1.3
149.13313	1.3
151.07547	1.4
155.08580	1.1
157.06454	0.7
157.10167	2.5
159.08112	2.1
159.11711	2.0
161.03017	1.4
161.09618	1.9
161.13281	6.7
163.07539	1.9
169.10191	1.1
171.08113	0.9
171.11676	1.1
173.06018	0.8
173.09627	1.5
173.11778	1.5
173.13261	1.6
174.99225	9.0
175.07582	1.9
175.11218	1.5
176.98933	4.3
177.05478	1.1
177.09067	1.0
179.14334	4.2
183.11752	1.4
185.09621	1.1
185.13318	1.2
191.07027	3.8
191.14427	1.0
195.13824	1.2
197.08049	0.9
199.14694	1.5
201.12872	0.8
203.07016	1.1
207.13599	0.8
209.08072	4.2
209.15387	0.9
211.14896	1.6
215.10785	1.5
217.15906	0.9
221.08145	4.1
223.13263	0.7
225.14833	1.9
227.14352	1.4
229.08763	0.8
229.15857	1.3
237.14865	2.7
239.09140	2.1
243.06575	1.7
245.15376	3.3
247.09677	0.7
247.16890	1.2
252.99763	1.7
255.15846	0.8
257.15427	2.4
263.09183	2.1
263.16464	7.0
275.09177	1.5
275.16409	4.3
281.17590	2.9
293.10355	3.2
293.17389	5.5
311.11545	0.9
311.18457	8.1
312.18924	0.7
329.19836	8.7
329.24445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
53.89507	0.6
55.01865	2.2
55.05510	10.2
57.03429	3.4
67.05504	19.5
69.03431	15.9
69.07072	8.5
69.43310	2.7
69.43742	2.9
71.05000	4.6
79.05496	10.1
81.03405	1.6
81.07056	28.8
83.04977	6.7
83.08612	7.0
85.02927	4.5
85.06539	4.0
87.04456	2.0
89.85881	0.6
91.05484	11.3
93.07041	11.7
94.77811	0.6
95.04969	4.1
95.08611	25.8
95.61899	0.6
96.08923	0.8
97.02892	27.7
97.06538	13.2
97.10165	2.9
98.98464	100.0
99.04448	1.0
99.08096	2.4
100.98921	1.1
105.07034	10.7
107.04950	2.4
107.08585	6.5
109.06507	4.5
109.10153	6.0
111.04416	1.5
111.08090	2.6
113.09638	0.6
115.03929	13.0
116.99522	3.9
117.07007	4.6
119.08578	9.8
119.23105	0.6
121.06496	2.1
121.10139	3.6
123.04456	0.7
123.08060	3.5
123.85732	0.6
125.05994	1.4
125.09621	1.9
129.07005	1.9
129.09061	0.6
130.30200	0.5
131.08591	4.8
133.04968	1.0
133.06483	1.9
133.10124	6.2
135.08046	2.5
135.11688	4.0
137.05983	1.9
137.09644	2.1
137.13264	1.9
138.94165	0.6
139.07535	2.8
140.01085	1.0
141.07022	1.0
141.09137	2.0
143.08556	1.7
145.06413	1.1
145.10132	1.7
147.08040	2.1
147.11703	1.7
149.05952	1.7
149.09639	1.1
149.13312	1.1
155.08490	1.0
157.10112	2.1
159.08032	1.7
159.11700	2.4
161.09665	1.5
161.13258	9.8
163.07516	2.3
163.11142	0.7
165.09091	0.7
165.47685	0.8
167.07071	0.8
169.10143	1.6
171.11717	0.9
173.09586	1.0
173.11847	1.2
173.13231	1.6
174.99245	9.9
176.98912	5.9
177.05469	2.2
177.09119	1.9
177.12811	0.9
179.14330	4.8
183.11763	1.4
185.09605	0.8
185.13258	1.0
189.11221	1.1
191.14294	0.8
195.13809	1.5
197.13126	0.7
197.15291	0.7
199.14830	1.1
207.13745	1.0
208.05229	0.8
209.13368	1.0
209.15312	1.3
211.14868	1.2
213.14761	1.1
215.10570	1.1
216.48940	0.6
217.15913	1.0
219.13797	1.2
221.15396	1.4
223.13373	1.2
225.14903	2.6
227.14279	1.1
229.15874	1.2
235.16936	0.9
237.14824	4.3
239.14253	1.2
243.06537	1.2
245.15385	3.0
247.16978	1.0
250.99895	0.8
252.99774	2.5
255.15997	0.9
257.15356	3.9
263.16458	7.5
275.16391	7.3
281.17371	4.1
285.11102	0.7
293.17499	8.3
301.10681	1.1
311.18555	9.7
312.18970	0.7
315.08597	1.4
329.10251	0.8
329.13828	1.4
329.19656	11.3
330.11081	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29453	1.3
53.03941	2.8
54.65379	1.1
55.01859	3.7
55.05512	18.4
57.03421	5.1
65.03949	1.6
67.05504	34.3
68.37288	1.2
69.03080	2.1
69.03428	26.7
69.07066	17.7
69.51121	2.8
69.51529	7.2
71.04997	7.6
79.05054	1.9
79.05489	20.5
79.56016	1.2
81.03412	2.5
81.07056	48.3
83.04979	11.4
83.08614	11.3
85.02914	7.5
85.06527	4.4
87.04451	3.2
91.05486	19.7
93.07041	22.4
95.04963	5.5
95.08608	46.3
97.02889	45.2
97.06540	17.3
97.10147	5.7
98.98466	100.0
99.04456	2.3
99.08095	3.5
103.05437	1.4
105.07028	19.6
107.04975	1.9
107.08615	9.0
109.06532	8.5
109.10152	11.5
111.08061	5.4
111.82653	1.1
113.05987	1.6
115.03922	21.7
116.99496	4.6
117.07015	5.2
119.05038	1.2
119.08575	19.0
121.06491	4.3
121.10139	5.4
123.08055	6.8
123.11709	1.5
125.09622	3.0
129.06990	3.1
131.04878	1.7
131.08540	9.3
133.06482	4.0
133.10121	10.2
135.08063	4.3
135.11684	6.7
137.03770	1.2
137.05971	2.9
137.09567	2.9
137.13272	2.4
139.07538	3.8
140.01035	1.6
141.07033	1.2
141.09106	3.8
141.86760	1.3
143.08571	4.5
145.06479	3.0
145.10118	5.1
147.08022	6.0
147.11623	2.1
149.05981	3.1
149.09656	2.2
151.07559	2.0
154.07718	1.1
155.08569	2.0
157.10136	3.5
159.08067	2.7
159.11629	3.8
161.09605	1.6
161.13281	16.1
163.07547	3.0
164.60837	1.4
169.10014	1.8
171.11784	1.9
173.09653	2.5
173.11697	3.3
173.13167	1.4
174.99257	10.2
175.11163	1.7
176.98956	5.1
177.05476	2.2
177.09099	2.4
177.12729	3.1
179.14310	7.4
183.11746	2.4
185.13313	1.4
187.11079	1.4
189.11145	2.2
195.13840	3.0
199.10849	1.5
199.14799	2.8
203.14497	1.2
207.13858	1.7
211.14789	2.0
213.14729	1.6
215.10535	1.7
219.13811	2.2
221.15479	1.3
223.13292	1.9
225.14803	3.1
235.17061	1.9
237.14865	7.9
239.14172	1.9
245.15315	6.1
247.16893	2.9
249.14853	2.1
252.99716	3.0
255.15909	1.3
257.15378	5.1
263.16382	13.2
275.16382	15.0
281.17535	7.9
293.17523	12.5
311.18521	18.5
315.08487	1.7
329.19571	18.8
330.11102	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	329.1595
Annotation	Epirhododendrin
Peak:m/z	Relative Intensity
53.03940	2.5
53.90756	0.4
55.01868	2.9
55.05511	5.3
56.96543	0.6
57.03424	1.8
59.04979	0.7
61.02917	2.4
61.76575	0.5
62.19201	0.5
65.03928	0.5
67.05495	3.1
68.99788	1.6
69.03427	14.5
69.07056	1.9
69.78600	3.3
70.06574	1.9
71.04980	1.4
72.08147	1.6
73.02909	1.0
77.03966	0.4
79.05491	8.9
81.03414	10.2
81.07052	16.4
83.04977	18.1
84.04500	0.6
84.08110	0.7
85.02901	16.9
85.06558	1.1
86.09705	1.4
87.00834	1.6
87.04472	0.6
89.03904	0.7
91.03961	1.2
91.05484	7.3
93.07043	8.8
95.01334	0.8
95.04965	6.9
95.08597	3.8
97.02891	8.5
97.06532	1.9
98.21465	1.0
98.98463	100.0
99.04444	2.8
99.08098	0.6
103.03976	2.3
103.05480	0.9
105.03413	0.7
105.07019	6.4
107.04952	18.6
107.08587	5.9
109.02882	5.2
109.06510	13.7
109.10155	1.1
111.04434	2.1
111.08092	3.5
114.60813	0.5
115.05453	1.0
116.99503	4.1
117.03384	1.6
117.07019	1.8
117.65661	0.5
119.04922	1.6
119.08586	3.5
121.06505	9.5
121.10160	4.2
123.04414	2.7
123.08073	5.2
125.02335	0.5
125.06020	0.6
127.03912	4.6
127.07579	0.9
128.06250	1.0
129.01871	1.3
129.06999	1.2
131.04910	1.4
131.08530	2.7
133.06497	4.9
133.10126	2.1
135.04381	0.5
135.08096	2.3
136.07651	0.6
137.05981	1.6
137.09570	2.3
139.07542	2.1
140.01096	0.6
143.08571	1.8
145.02824	3.5
145.04968	3.9
145.06447	4.0
145.10127	0.7
147.02888	1.0
147.08073	3.4
149.05989	3.3
149.09625	14.2
149.70313	0.5
151.07515	0.8
157.06462	0.6
157.10175	0.5
159.08057	1.0
161.09631	4.3
163.07579	1.5
165.09100	3.3
167.07004	0.6
167.10709	2.9
171.08112	1.2
173.09708	0.8
174.99214	10.9
175.07568	1.3
176.98935	4.7
177.05475	10.1
177.09119	1.4
179.10635	1.0
187.07541	0.6
187.11208	0.5
189.03981	1.1
189.09106	6.0
191.10693	1.1
195.10164	0.8
207.10133	4.6
217.08528	0.8
225.11247	3.1
233.11829	1.0
235.09676	1.3
236.62090	0.6
251.00102	1.0
252.99834	1.6
253.10753	0.9
275.12817	0.8
293.13959	0.8
311.11267	1.4
311.14920	2.6
329.12332	5.4
329.16058	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	329.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36522	0.7
68.02431	0.7
69.03424	1.2
70.20803	2.5
70.21213	1.2
80.27892	0.6
89.03924	5.4
91.05473	1.2
95.04996	0.8
98.98470	91.8
100.98878	0.9
103.05518	0.7
107.54098	0.7
116.99493	3.0
117.03385	19.4
118.03768	0.7
119.04922	0.8
134.03596	1.2
135.04436	1.5
145.02849	48.7
145.25510	0.7
146.03174	1.7
147.04436	0.8
149.05968	6.1
174.99245	9.2
176.98929	3.9
177.05476	100.0
178.05830	2.5
186.05571	1.5
251.00044	0.9
252.99855	1.9
284.12930	1.0
308.95724	0.7
329.12057	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
59.04994	1.4
60.05324	0.6
65.26079	0.3
69.03434	0.7
69.07062	0.4
69.42729	0.5
69.43137	2.4
70.06590	0.6
72.08151	0.5
73.06550	1.5
74.06889	0.6
77.01598	0.6
79.05475	0.5
80.97380	0.3
81.03397	0.3
81.07047	0.4
82.07388	0.3
84.08142	0.3
85.02908	1.0
86.09717	0.5
89.03911	2.0
89.08899	0.3
91.05486	1.0
93.07020	0.7
95.04980	0.5
97.02888	0.5
98.98466	100.0
99.04414	0.4
100.98872	0.5
103.20756	0.3
105.07066	0.5
107.08596	0.9
116.07083	0.6
116.99500	4.7
117.03378	5.5
119.04966	0.6
120.08105	4.7
124.64812	0.3
134.03636	0.4
135.04443	0.6
136.07544	0.4
136.93170	0.5
137.05988	1.0
140.01082	1.1
145.02841	12.0
146.03145	0.4
147.04419	1.2
149.05969	2.4
149.11784	1.0
150.12115	0.8
154.94197	1.0
168.06799	0.3
172.95222	3.5
174.99239	11.1
176.98935	5.0
177.05467	23.6
178.05850	1.0
182.57594	0.3
190.96281	2.2
251.00101	1.4
252.99796	2.4
289.05167	1.0
307.06235	4.1
325.07156	2.6
329.11908	1.9
329.15726	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57989	0.3
55.01876	0.8
55.05508	1.6
56.98039	0.3
58.48277	0.4
60.03574	0.3
61.35318	0.3
67.05498	2.5
69.03429	2.0
69.07070	2.0
69.88755	0.3
71.04982	1.0
71.61309	0.4
71.61713	0.6
76.43102	0.4
79.05492	1.8
81.03415	0.8
81.07056	4.5
82.50060	0.3
83.04967	1.0
83.08619	1.1
85.02889	0.7
85.06567	0.5
89.03917	4.4
91.05483	2.8
93.07040	2.8
95.04978	1.9
95.08617	3.4
97.02906	2.2
97.06546	2.2
98.98466	100.0
100.98885	0.8
103.05509	0.4
105.07037	2.6
107.08625	1.7
109.06531	1.1
109.10165	1.1
111.04438	0.6
113.06073	0.4
115.03928	1.0
116.99516	4.2
117.03381	15.0
117.07056	0.6
119.04977	0.5
119.08604	2.3
121.06489	1.3
121.10138	2.2
123.04451	0.4
123.08039	0.8
129.06963	0.4
131.08588	1.4
133.06444	0.6
133.10118	1.3
134.03590	0.8
135.04413	1.2
135.08087	0.6
135.11691	0.5
137.06012	0.6
137.09605	0.4
139.07512	0.4
140.01077	1.5
143.08551	1.1
145.02846	33.3
145.10120	1.3
146.03149	0.7
147.08069	0.7
147.11665	0.7
149.05989	7.0
149.09636	0.7
155.08566	0.6
157.10068	0.8
159.08086	0.7
159.11723	1.0
161.09610	0.8
161.13283	1.1
163.03867	0.6
167.08472	0.4
167.10693	2.3
169.10121	0.7
171.08006	0.6
171.11746	0.9
173.09631	0.8
173.13263	0.6
174.99222	11.8
175.07541	0.4
175.11134	0.8
175.99628	0.4
176.98940	4.8
177.05470	65.2
178.05858	1.8
179.08588	0.4
179.14391	0.6
185.09613	0.7
185.13307	0.5
186.05525	2.0
187.07642	0.5
187.11234	0.7
189.09125	0.6
189.12737	0.5
197.13309	0.5
209.13324	0.4
215.10745	0.5
215.14238	0.5
225.12842	0.6
225.14790	0.5
233.15347	1.0
239.14330	0.4
243.13828	0.6
251.00060	1.2
252.99709	1.7
275.16531	0.6
293.17560	0.5
301.10590	0.8
311.19763	0.8
315.08685	0.4
329.17584	0.8
329.20978	4.7
330.11063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01875	2.3
55.05508	6.2
56.96579	0.4
57.03428	1.5
61.02919	1.2
65.03941	0.5
67.05502	4.1
68.99793	1.6
69.03432	7.0
69.07066	1.8
70.06598	0.9
70.19924	1.7
71.01351	0.5
71.04993	0.9
72.08154	1.4
79.05490	7.2
81.02973	0.7
81.03419	8.7
81.07058	20.3
83.04984	20.4
83.08623	0.8
84.08102	0.5
85.02905	5.8
85.06548	1.3
86.09707	1.3
87.00838	2.5
88.03984	0.5
88.11153	0.4
91.05474	5.2
93.07042	7.3
95.04972	5.0
95.08610	5.2
97.02894	3.2
97.06547	2.4
98.98467	100.0
99.04449	1.6
99.08099	1.0
100.98888	0.7
103.03954	2.9
105.01867	1.1
105.07022	5.2
107.04966	2.0
107.08591	3.8
109.02890	5.7
109.06525	4.4
109.10172	1.3
111.04447	2.6
111.08106	3.9
115.03941	0.5
115.05464	0.6
116.99501	4.4
117.07030	1.4
119.04955	0.8
119.08574	3.3
121.06507	3.9
121.10130	2.3
123.04468	1.9
123.08067	6.6
125.05996	1.1
125.09592	0.7
127.03918	2.1
127.07555	1.1
128.06238	1.1
129.01813	1.9
129.06937	0.6
130.05058	0.4
131.04912	0.5
131.08583	1.2
133.02782	0.5
133.06537	1.0
133.10133	2.6
134.03200	0.4
135.08035	2.2
136.07579	0.4
137.05954	2.2
137.09627	1.3
139.07506	2.0
140.01094	0.9
141.05502	0.6
143.08574	1.9
145.02885	0.7
145.04936	0.5
145.06471	1.3
146.07251	0.4
147.02925	0.9
147.04422	0.9
147.08041	2.8
149.05998	0.6
149.09639	1.6
151.07597	0.6
151.11249	0.5
153.09062	0.7
159.02824	0.5
159.08124	0.7
161.09615	3.9
163.07629	0.8
165.09125	4.9
167.07053	1.0
167.10707	1.3
171.07983	0.7
171.72194	0.4
174.99237	10.3
175.02470	0.4
175.99614	0.5
176.98935	4.7
177.05496	1.5
177.09145	1.3
179.10739	1.1
187.07538	0.5
187.53012	0.5
189.03986	1.1
189.09106	4.5
207.10185	5.0
213.03969	0.5
225.11192	3.0
251.00092	1.1
252.99800	1.9
293.10266	1.0
311.11551	1.0
329.12415	6.4
329.15845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.01880	10.2
55.05511	23.0
57.03425	6.8
61.02924	3.7
67.05503	15.2
68.99773	5.5
69.03423	23.2
69.07056	6.8
71.01349	1.8
71.03679	4.8
71.04038	4.3
71.05011	2.9
73.02922	4.1
79.05495	21.7
81.03416	32.4
81.07056	75.1
83.04982	100.0
84.05290	2.2
85.02901	25.0
85.06532	6.2
87.00832	13.8
87.52617	1.8
91.05494	16.0
93.07039	18.7
95.04968	25.0
95.08603	18.8
97.02888	8.1
97.06520	13.1
98.97850	3.5
98.98469	52.8
99.04465	4.8
99.08128	2.7
103.03947	12.2
103.05420	2.7
105.01862	3.1
105.07035	16.2
107.04962	8.7
107.08600	13.2
109.02890	21.8
109.06525	17.6
109.10168	6.0
111.04440	10.4
111.08101	16.1
113.02388	2.0
117.06998	5.9
119.04933	2.8
119.08606	12.8
121.06510	11.8
121.10155	2.5
123.04408	11.4
123.08074	26.6
125.06009	4.5
127.03934	7.1
127.07531	4.3
128.06215	5.9
129.01857	8.0
129.07010	4.5
131.08597	5.8
133.06516	3.9
133.10172	5.7
135.08064	14.7
137.05934	2.9
137.09636	4.7
139.07523	10.7
143.08595	6.2
145.02802	2.5
145.06470	2.4
147.02882	3.1
147.08112	11.3
147.09105	1.8
149.05956	4.0
149.09612	6.0
159.08075	3.7
161.09601	14.7
163.07538	4.6
165.09123	15.2
167.07043	2.0
167.10750	2.6
171.08037	4.6
174.99165	6.4
176.98955	2.5
177.05438	3.6
177.09084	5.2
179.10655	4.2
183.04266	2.1
189.03951	4.2
189.09103	21.1
207.10153	20.5
225.11200	14.8
293.10226	4.2
311.11389	4.9
329.12405	23.6
330.12439	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39532	0.3
55.05516	0.4
56.96558	0.6
69.03412	0.4
69.07049	0.5
70.06585	1.3
70.16163	0.4
71.60250	0.5
71.89882	0.3
72.08166	0.6
72.29501	0.3
73.35706	0.4
77.01566	0.4
79.05487	0.5
80.97434	0.4
83.04969	0.6
86.09703	0.9
89.03918	4.1
91.05491	2.4
93.07055	0.6
97.02896	0.8
97.06536	0.4
98.98467	100.0
100.98889	1.0
105.07043	0.7
107.04967	0.6
109.06508	0.4
116.99515	4.8
117.03378	12.3
119.04939	1.4
120.08130	0.5
121.10190	0.4
132.95866	0.7
133.10062	0.4
134.03632	1.2
135.04417	0.7
136.07588	6.9
136.76782	0.4
137.05986	0.7
140.01074	0.9
145.02849	29.4
145.06537	0.5
146.03175	0.9
149.05981	5.1
149.09648	0.6
150.96910	0.6
163.03844	0.3
167.10643	0.5
174.99232	11.5
176.98914	5.5
177.05473	61.2
178.05827	1.4
182.97275	0.3
184.99010	0.6
186.05553	0.4
187.36702	0.3
188.56624	0.4
198.11208	0.5
200.98596	0.6
216.12332	0.4
228.97981	1.4
246.99033	0.9
250.99976	1.1
252.99684	2.6
269.08096	0.6
270.00574	0.8
283.10098	0.4
283.21292	0.4
288.01718	0.6
301.10727	0.6
329.10205	0.5
329.15976	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01875	0.6
55.05511	5.3
55.98860	0.5
56.96558	0.7
57.03440	1.1
67.05168	0.7
67.05507	10.3
69.03420	1.0
69.07067	3.9
69.86445	2.1
69.86851	1.1
71.04979	1.4
79.05495	9.9
81.03407	1.5
81.07056	7.3
83.04982	1.4
83.08623	3.3
85.06550	0.6
91.05488	6.2
92.42129	0.5
93.07050	9.4
95.04965	3.0
95.08607	6.6
97.06538	1.8
97.10188	3.4
98.98468	100.0
99.08072	0.7
105.07027	5.6
107.08617	6.2
109.06549	0.9
109.10151	5.6
111.08087	1.1
116.99513	5.0
117.07028	1.9
119.08573	4.9
121.10143	7.8
123.08089	0.6
123.11702	0.8
125.09608	2.6
131.08585	2.1
133.10117	3.8
135.08008	1.0
135.11682	1.2
137.09625	2.3
139.11154	0.6
140.01083	2.9
145.10112	1.5
147.11703	2.0
149.09674	0.9
155.10658	1.2
157.10095	0.7
159.11685	1.6
161.13300	1.2
165.04745	0.5
173.11807	4.2
173.13179	0.9
174.99211	10.8
175.99606	0.7
176.98947	5.3
177.12891	0.6
187.11244	0.6
189.11205	2.6
190.95395	2.1
193.12231	0.7
208.96492	1.4
209.15451	0.7
211.13261	0.6
232.96468	2.0
250.97598	1.2
250.99899	1.0
252.99750	1.8
257.19061	0.8
275.20117	5.6
280.94861	0.6
293.21121	1.2
329.17569	0.6
329.21167	0.6
337.76663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05511	21.5
56.91750	0.6
59.04984	0.9
67.05178	0.6
67.05510	7.9
69.03424	2.7
69.07072	15.3
70.43466	1.2
70.43834	1.4
71.05003	0.8
71.42535	0.7
79.05497	11.8
81.07059	9.3
83.04971	2.3
83.08625	15.9
85.06519	1.0
91.05476	6.2
93.07048	5.6
95.04950	1.4
95.08595	5.4
95.21028	0.6
96.65509	0.7
97.06535	2.4
97.10174	35.1
98.98467	100.0
101.09647	0.8
105.07032	8.4
107.04974	1.0
107.08598	37.1
109.06546	0.7
109.10173	2.8
111.08080	0.6
116.98730	0.9
116.99506	4.4
117.06995	1.5
119.08587	4.0
121.09407	0.6
121.10141	3.1
123.08207	0.8
123.11651	0.8
125.09634	29.8
131.08586	2.2
133.10161	4.2
135.08083	2.7
135.11696	1.6
140.01094	2.3
143.10683	1.8
145.10158	4.3
147.11688	3.4
149.09607	3.5
153.09140	1.8
157.10059	0.9
159.11774	1.7
161.13295	2.1
163.11176	1.2
169.10228	0.7
171.10181	2.4
171.11642	1.0
173.13251	1.6
174.99231	12.0
175.99510	0.8
176.98926	4.2
179.14366	1.0
181.12233	1.9
189.11224	46.1
190.95428	1.8
208.96574	0.9
219.14104	0.6
232.96434	1.7
239.17912	1.1
250.97560	1.5
251.00029	1.1
252.99878	1.7
255.98228	0.8
257.19067	3.9
275.20068	40.0
276.20422	1.4
293.21094	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
54.15203	0.4
55.01857	0.4
55.05305	0.4
55.05515	5.1
56.96570	0.8
57.03433	1.2
57.07058	0.5
59.04983	0.5
65.03938	0.7
66.99918	0.4
67.05505	14.6
69.03423	0.7
69.07062	4.2
69.41351	1.7
69.41784	2.0
71.04987	1.2
72.68254	0.5
79.05067	0.8
79.05499	11.0
81.03422	1.8
81.07058	9.1
83.04970	1.4
83.08614	3.1
85.06532	0.5
91.05492	7.3
93.07047	9.8
95.04967	3.9
95.08607	7.6
97.06531	1.3
97.10174	2.8
98.20689	0.7
98.98467	100.0
100.98910	0.6
105.07033	6.6
107.04963	0.8
107.08595	7.3
109.06522	0.7
109.10159	8.6
111.08047	0.6
116.99500	4.7
117.07017	2.2
119.08582	5.5
121.06561	0.4
121.10138	5.8
123.08092	0.6
123.11686	0.9
125.09636	2.4
129.06984	0.5
131.08588	2.3
133.10138	4.3
135.08061	0.8
135.11670	0.8
137.09636	3.4
139.11192	0.8
140.01091	1.5
141.06966	0.5
145.10132	2.4
147.11682	1.9
149.05971	0.7
149.09625	1.4
149.13237	0.5
155.10658	0.8
157.10158	1.0
159.11688	1.3
161.13255	0.6
163.11229	1.0
169.10059	0.5
171.11638	0.7
172.13361	0.8
173.11771	6.1
173.13205	0.7
174.99232	11.0
175.11208	0.5
175.99594	1.1
176.98952	4.3
183.11783	0.8
189.11240	1.5
190.95406	0.9
193.12312	0.7
199.23627	0.4
201.16376	0.4
211.13342	1.1
223.13297	0.7
232.96503	1.2
239.17981	0.7
250.97534	1.0
251.00009	0.9
252.00562	0.5
252.99669	1.3
275.20157	4.6
281.64600	0.5
286.14093	0.5
287.04095	0.5
293.21191	1.2
328.15265	0.8
328.28665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.8
57.03439	1.0
59.04990	1.8
61.02925	4.8
64.42846	0.4
68.05021	5.4
69.07065	3.3
70.06583	2.4
71.04995	6.7
71.29163	0.7
72.08150	8.1
79.05499	1.6
81.07058	14.9
82.05331	0.5
82.06591	0.5
84.50776	0.5
87.08097	2.0
95.06091	100.0
96.06424	0.9
97.07647	8.1
98.98466	65.1
99.08076	0.8
100.98875	0.8
107.06028	0.5
108.05643	0.5
109.05155	0.7
111.05578	1.4
113.09653	1.8
116.98774	0.6
116.99521	2.1
121.07629	0.8
126.07777	0.7
127.06144	0.5
130.11871	0.5
133.07556	0.5
136.06177	2.9
149.10738	0.7
151.12308	18.1
154.07256	0.6
163.92294	0.5
165.07118	0.5
167.11839	3.0
174.99219	6.4
175.12328	0.8
176.98920	1.8
178.07254	1.1
180.08899	0.6
193.13371	23.6
196.08241	1.0
207.14963	1.4
219.11397	0.5
223.80865	0.5
225.15977	84.4
226.16312	2.8
241.15500	1.3
247.54146	0.6
250.99928	0.7
252.20718	12.0
252.99738	1.5
266.22318	3.0
269.14941	0.7
274.72137	0.6
284.23328	71.1
285.23578	2.7
296.19730	6.0
328.22336	2.2
353.72180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87875	0.3
55.01891	0.5
55.05506	1.0
56.96565	0.5
57.03439	0.9
59.05001	18.7
61.02929	0.9
69.03436	1.5
69.07066	0.6
70.06601	2.3
71.04996	0.6
72.08150	3.0
73.06555	55.8
74.06882	0.6
77.01601	0.4
81.03416	0.8
81.07083	0.4
83.08624	0.3
84.08137	0.4
85.02906	6.0
86.09703	4.1
87.04447	0.4
89.03931	0.5
91.03969	0.4
91.05484	0.4
93.07037	0.9
95.04945	0.4
95.29350	0.3
97.02887	2.1
98.98467	100.0
99.04462	0.6
100.98912	0.8
105.07062	0.6
107.08609	0.7
109.02889	0.6
113.37409	0.3
114.17267	0.3
116.07092	3.4
116.98656	0.5
116.99501	5.3
117.03386	0.9
117.09134	4.4
120.08073	2.4
127.03934	1.0
131.10661	5.6
135.04361	0.4
136.06247	0.5
136.07515	0.6
137.05971	0.8
139.07484	0.5
140.01070	1.0
145.02843	2.7
145.05025	0.8
147.04385	0.8
148.07559	3.5
149.06017	0.6
149.11732	32.9
150.12167	0.5
160.05229	0.3
164.06975	0.3
166.08640	1.7
167.10681	0.4
172.95253	0.6
174.97704	0.5
174.99226	10.9
175.99524	1.3
176.98909	4.2
177.05461	5.1
182.08176	0.5
185.16467	1.7
187.10814	0.4
213.15945	0.8
224.36469	0.3
236.29225	0.4
250.99852	0.8
252.99654	1.9
305.04803	0.4
328.12247	1.0
328.15826	0.5
329.11526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.1
57.03433	0.5
57.07083	2.7
65.03931	0.5
67.05508	5.9
69.03437	0.8
69.07076	5.6
69.46456	4.1
71.05001	0.6
71.08625	1.6
79.05499	3.6
81.03410	0.6
81.06583	0.7
81.07062	13.8
83.04980	0.6
83.08612	3.5
84.04530	0.5
85.06536	1.2
85.10212	0.5
91.05476	2.2
93.07053	7.4
94.22272	0.5
95.04984	1.3
95.08613	12.6
97.02866	1.1
97.06561	2.6
97.10182	2.1
98.98474	100.0
105.07039	3.9
107.08612	5.3
109.06530	0.7
109.10158	7.7
111.08089	0.7
111.11726	1.1
115.05473	0.6
116.99516	3.3
119.08588	2.0
121.06500	0.7
121.10144	5.7
123.08082	0.9
123.11723	5.1
125.13308	0.6
129.06966	0.5
131.08594	1.1
133.02852	0.7
133.10159	1.3
135.11685	5.0
137.05977	3.6
137.09669	0.9
137.13269	3.4
139.11217	0.7
140.01102	1.3
143.08577	0.7
145.10149	0.8
147.11703	2.7
149.13260	3.0
151.14795	0.6
161.13231	0.8
163.06201	0.5
163.14870	0.9
165.12775	0.7
168.55504	0.5
174.99243	17.0
177.16383	1.0
178.36429	0.6
191.18027	0.9
199.09517	0.5
203.17903	0.8
207.08141	0.7
216.01895	0.5
217.19386	0.6
219.01833	0.6
235.07593	1.2
247.24179	0.6
249.09027	0.8
251.00032	2.5
263.07016	0.6
267.10153	1.6
273.25873	1.4
277.08774	1.0
281.22510	0.6
291.19550	1.7
291.26773	0.8
295.09732	1.0
327.08578	0.8
327.12408	2.9
327.15958	0.9
327.23260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05514	6.2
57.03436	0.7
57.07078	4.2
59.05007	0.9
66.52656	0.7
66.75374	0.7
67.05506	6.8
69.03446	1.5
69.07073	19.5
69.88361	3.6
71.04990	2.0
71.08636	2.3
71.39079	0.7
79.05495	5.1
80.64435	0.7
81.07063	33.3
83.04979	0.9
83.08612	6.7
85.06552	7.6
85.10178	0.9
91.05488	3.1
93.07049	10.6
95.04967	1.1
95.08617	21.1
96.08981	0.7
97.02905	2.3
97.06514	3.2
97.10169	2.6
98.20780	0.8
98.98473	100.0
99.08102	2.8
105.07044	5.0
107.08599	11.1
109.06542	1.6
109.10165	10.0
111.08093	8.8
111.11724	2.9
116.99503	3.1
119.08596	3.7
121.10147	7.6
123.11715	10.8
125.09611	1.2
125.13268	0.7
131.08556	0.8
131.66982	0.7
133.06444	0.6
133.10130	2.0
135.11707	5.5
135.31664	0.6
137.05989	2.3
137.09608	0.8
137.13251	6.2
139.11232	1.6
140.01021	0.9
147.11739	4.0
148.88034	0.6
149.13298	5.1
151.14909	1.2
153.12759	3.9
155.14301	2.5
159.11685	1.1
161.13298	1.8
163.04089	0.7
163.14818	2.3
165.12781	2.2
167.14238	0.8
171.13802	0.9
174.99249	15.2
177.12845	0.8
177.16327	1.5
191.10338	0.6
207.08144	0.9
221.92365	0.7
235.07498	1.5
251.00098	2.7
255.88368	0.6
267.10175	2.3
273.25717	1.5
277.08615	1.7
291.19489	0.8
291.26874	4.0
295.09796	2.4
309.27869	4.0
327.12259	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
55.01865	2.3
55.05511	7.6
57.03439	0.8
57.07071	5.2
57.49128	0.6
59.04996	1.2
65.03931	0.7
67.05506	13.4
69.03422	1.9
69.07067	23.0
70.02953	8.4
71.04987	2.8
71.08630	2.8
71.59348	0.9
71.59710	0.7
74.02453	0.9
74.62431	0.6
79.05494	7.9
81.03419	1.2
81.07055	43.8
83.04965	2.0
83.08617	8.4
84.64980	0.5
85.02878	1.1
85.06542	6.3
85.10189	0.9
87.05594	4.2
87.95638	0.5
88.03989	5.4
91.05499	5.2
93.06464	1.2
93.07039	15.5
95.04965	2.3
95.08606	27.6
96.08917	0.6
97.02872	0.8
97.06532	3.7
97.10172	2.7
98.98464	100.0
99.08084	5.0
100.11257	1.1
101.06002	0.7
102.55878	0.7
105.07024	7.7
107.04962	1.5
107.08589	11.4
109.02895	0.9
109.06502	1.6
109.10151	13.5
111.04457	1.2
111.08089	10.3
111.11702	3.9
113.09588	0.8
115.05441	0.9
116.98708	0.9
116.99484	4.7
117.07047	1.4
119.08585	5.3
121.10143	7.7
123.08058	0.8
123.11696	13.0
125.09625	2.8
129.06993	0.6
131.08586	1.4
133.02870	3.1
133.06076	7.3
133.10133	3.2
133.42876	0.6
135.04419	0.7
135.08041	0.7
135.11679	6.6
137.05984	3.9
137.09596	2.0
137.13261	9.5
139.11209	1.4
140.01077	1.7
143.08513	0.7
145.10086	0.7
147.04414	0.8
147.08144	0.7
147.11664	4.5
149.05997	1.1
149.13263	7.0
151.03923	1.1
151.11247	1.0
151.14850	1.0
153.05486	0.6
153.12772	4.2
155.14297	3.5
161.13271	1.9
163.03856	3.2
163.14841	3.1
164.04222	1.5
165.04436	1.1
165.09052	1.2
165.12744	4.0
167.14320	0.6
171.13805	0.7
173.13373	0.7
174.99228	16.1
175.00676	1.2
175.07556	1.1
177.05455	0.8
177.16371	2.4
183.13826	0.9
189.16312	1.0
191.17978	1.3
195.13757	0.9
203.18036	0.7
205.19495	1.2
206.07265	0.8
207.08063	0.9
210.14952	0.7
217.19576	1.3
223.07542	0.6
234.06752	1.0
237.08984	0.7
249.09219	0.8
250.99983	3.2
261.25803	1.3
263.06958	0.7
264.15897	2.7
267.10242	1.1
273.25781	2.3
277.08670	1.5
279.26929	1.7
283.09558	0.8
291.19522	2.6
291.26825	6.1
295.09503	1.2
309.07986	0.8
309.11282	1.5
309.20480	1.2
309.27643	2.9
310.16470	2.5
327.08777	0.8
327.12253	5.5
327.15637	1.1
328.28687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01868	3.0
55.05505	9.0
57.03435	1.9
57.07070	4.1
65.03927	2.3
67.05508	16.6
69.03423	2.3
69.07066	9.6
69.63579	12.7
71.04997	2.7
71.08629	1.8
79.05486	14.3
81.03432	2.5
81.07065	18.5
83.08632	4.1
85.06557	3.4
85.92566	1.5
91.05488	20.9
93.07046	41.3
93.64646	1.6
95.04974	52.3
95.08606	35.1
97.06532	12.9
98.98467	100.0
105.04523	1.7
105.07028	31.8
105.07748	1.9
107.04988	1.8
107.08601	23.5
109.06531	7.9
109.10163	13.9
111.08096	1.9
115.05483	1.9
116.99503	2.1
117.07020	12.4
119.08582	37.0
121.06490	10.4
121.10149	20.7
123.08076	10.3
123.11687	4.3
125.09602	1.9
128.06244	3.8
129.07013	5.1
130.07779	3.8
131.08557	18.4
133.06462	2.4
133.10135	27.4
135.08018	7.8
135.11693	8.2
137.09645	2.9
140.01135	1.8
141.06995	2.8
142.07794	6.0
143.08543	13.1
144.09334	5.1
145.10121	25.4
147.08052	2.1
147.11678	5.9
149.09660	2.1
149.13297	3.0
152.06213	6.4
153.06972	6.4
155.08582	4.3
156.09325	3.9
157.10146	21.3
158.10828	3.0
159.08051	2.7
159.11687	23.5
161.09602	10.6
161.13239	3.3
167.08586	2.0
168.05637	2.0
169.10100	8.8
170.10840	3.0
171.11711	10.5
172.12529	2.2
173.09595	3.3
173.13264	9.7
174.99246	13.4
175.11180	2.5
175.14842	16.2
179.08626	1.5
181.10190	4.0
183.11752	5.8
184.12521	2.0
185.13274	6.0
187.11154	5.6
187.14810	9.3
189.16330	2.3
194.10976	1.6
195.11726	3.5
196.12502	2.2
197.13298	5.8
199.11201	2.1
199.14828	5.8
201.16437	2.3
207.11716	2.2
209.13268	6.2
211.14848	4.2
213.16478	2.5
214.60825	1.5
215.02654	1.7
217.15872	2.8
221.13332	2.1
222.27731	2.0
223.14830	2.7
225.16435	3.7
227.14363	1.6
233.03615	6.7
235.14775	3.8
237.16473	2.2
251.04745	3.0
253.15700	1.7
281.22455	2.0
291.21240	3.1
298.49509	1.7
309.22205	5.3
327.07809	27.8
327.23224	11.6
328.08200	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01868	1.8
55.05514	4.0
57.07068	1.6
58.19785	0.7
65.03972	1.2
67.05502	7.3
69.03419	1.2
69.07062	3.6
71.59439	1.1
79.05489	5.7
81.03423	1.6
81.07052	8.0
83.04961	1.2
83.08588	1.6
91.05476	8.9
93.07048	19.3
95.04976	17.0
95.08605	11.3
97.06513	4.6
98.98470	100.0
101.78094	0.8
105.07028	13.2
105.15648	0.8
107.08594	10.8
109.06527	3.5
109.10155	5.0
115.05408	1.3
116.99503	4.1
117.07014	4.2
119.08587	13.0
121.06494	3.7
121.10143	6.9
123.08073	3.3
123.11708	2.8
125.09646	0.9
128.06245	1.1
129.07018	2.8
130.07732	1.0
131.08565	7.0
133.06454	1.0
133.10130	11.1
135.08051	2.4
135.11681	4.2
140.01073	2.0
142.07787	2.4
143.08554	5.2
144.09344	1.5
145.10120	9.6
147.08102	1.2
147.11688	3.5
149.09627	1.5
155.08534	1.3
156.09337	1.5
156.71614	0.8
157.10155	6.8
158.10887	1.0
159.08057	1.6
159.11687	10.1
161.09633	3.8
161.13286	1.1
169.08852	0.8
169.10083	4.3
171.11673	5.6
173.09563	1.0
173.13251	2.9
174.14122	0.9
174.99211	15.9
175.14778	5.8
179.08618	1.5
181.10028	1.3
183.11674	3.2
185.13286	1.4
187.11264	1.7
187.14798	3.3
193.10045	1.0
195.11696	1.7
196.12492	1.1
197.13248	2.7
199.14781	2.1
201.16383	1.1
209.13217	1.4
211.14900	1.4
213.16451	1.7
215.14360	1.4
217.15880	1.0
225.16417	2.4
229.15880	1.3
235.14966	1.4
239.17859	1.2
251.00044	3.5
251.04654	1.0
253.15871	1.0
291.21045	1.1
304.07269	0.8
309.22211	2.2
327.07819	2.4
327.23270	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	327.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01865	3.1
55.05508	10.2
55.05758	1.3
57.03441	6.0
59.66850	0.7
65.03955	0.9
67.05167	1.0
67.05507	14.8
69.03421	3.2
69.07068	8.5
69.86681	4.9
71.04989	6.1
73.50995	0.7
76.41449	0.7
77.68050	0.8
79.05493	22.0
80.05856	0.8
81.03424	3.5
81.07058	44.5
82.07406	0.9
83.04977	3.3
83.08617	4.3
85.02882	1.4
85.06544	1.6
91.05490	10.5
93.07042	13.1
95.04975	7.3
95.08606	20.8
95.94048	0.7
97.06521	4.3
97.10159	5.3
98.98465	100.0
99.04432	0.8
99.07479	1.3
99.08097	17.1
103.21921	0.8
105.07030	14.2
107.04948	8.0
107.08602	12.0
109.06532	4.3
109.10160	4.1
111.04433	1.5
111.08077	1.5
115.05442	1.2
115.07568	3.2
116.99537	3.7
117.07037	5.2
119.08585	8.7
121.06493	2.4
121.10160	6.2
123.08069	25.9
123.11726	2.4
125.05971	1.1
125.09641	6.5
129.06999	2.0
131.08551	6.7
132.08960	1.0
133.02858	2.5
133.06506	2.9
133.10149	5.6
135.08064	2.8
135.11652	1.7
137.06000	4.1
137.09605	2.0
139.11220	3.9
140.01131	1.5
141.07024	1.2
141.09087	4.4
143.08560	2.7
145.10106	5.6
147.08047	2.6
147.11687	1.5
149.09605	7.1
149.13254	1.0
151.03885	0.9
151.07544	15.4
152.07916	1.1
153.09082	1.6
154.62318	0.9
157.10152	3.0
159.11688	3.8
161.09641	2.9
161.13298	1.1
163.11215	2.0
165.04373	0.8
165.09154	1.3
167.10725	1.3
169.08585	2.1
169.10042	1.0
171.10223	1.1
171.11691	2.5
173.11845	1.1
173.13332	2.2
174.99231	16.9
175.11130	1.2
175.14787	1.2
177.09164	2.8
177.12744	1.2
179.08475	1.0
179.10692	2.1
185.09628	0.9
185.13205	1.6
187.09631	2.3
187.11191	1.4
187.14725	0.9
189.09355	1.2
189.11241	5.2
189.12740	1.1
203.10788	1.0
203.14250	1.0
205.12395	0.9
206.07423	0.8
213.16440	0.8
217.15938	0.8
219.13815	1.7
221.15379	5.1
227.17870	1.7
231.17561	1.0
235.07500	1.7
237.16473	1.1
247.20612	1.6
249.09052	1.0
249.18510	2.6
250.99979	3.5
251.07097	1.0
255.17511	2.5
267.10059	1.0
273.18524	10.0
274.18729	1.0
277.08536	1.7
281.22729	3.0
291.19498	13.2
292.19919	0.9
295.09555	1.8
298.01517	0.9
299.13031	1.0
309.11206	1.2
309.20602	7.0
321.59048	0.9
327.08582	1.1
327.12286	4.4
327.15805	1.2
327.19501	1.5
327.23203	3.5
328.12683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08609	0.9
53.03945	2.0
53.97626	0.8
55.01865	4.4
55.05505	10.9
57.03434	7.3
57.07063	1.0
65.03944	1.1
67.05173	1.5
67.05505	17.0
69.03421	4.4
69.07068	7.4
70.94584	1.8
71.04974	2.5
77.32249	0.8
79.05061	1.6
79.05494	26.6
81.03405	2.9
81.07054	77.0
82.07358	1.5
83.04970	3.3
83.08611	3.4
85.02888	1.5
85.06506	2.1
86.09703	1.0
91.05482	10.4
93.07037	14.2
95.04967	6.7
95.08609	27.6
97.06509	3.5
97.10158	2.1
98.98464	100.0
99.08092	30.5
103.05469	1.5
105.06387	1.4
105.07031	20.4
107.04960	9.8
107.08590	16.4
109.06510	4.7
109.10138	3.6
111.08070	3.2
115.05451	1.1
116.06225	1.1
116.99476	4.0
117.07037	5.8
119.08580	9.3
121.06490	3.6
121.10155	7.1
123.08070	39.7
123.11701	2.5
125.09641	5.4
128.06203	1.1
129.06982	2.0
131.04884	0.9
131.08588	8.1
133.02829	3.4
133.06523	4.1
133.10126	6.1
135.08028	2.0
135.11658	1.7
137.05981	4.9
137.09644	1.5
139.11182	6.8
140.01099	1.4
140.71509	0.9
141.09067	3.1
143.08554	2.9
145.06445	1.3
145.10139	6.7
147.08026	2.8
147.11647	3.6
149.09624	10.0
149.13261	1.2
151.07541	22.8
151.11217	1.3
153.09094	2.9
157.10101	3.0
157.79565	0.9
159.08073	1.1
159.11713	3.2
161.09705	2.2
161.13237	1.7
163.11136	1.7
165.09070	1.0
167.10704	2.1
169.08591	3.3
169.10060	1.1
169.65938	0.8
171.10202	1.8
171.11670	4.6
173.13228	3.1
174.99220	14.5
175.11121	1.5
175.14818	1.9
177.09096	2.0
178.07739	1.0
179.08693	0.8
179.10701	2.3
181.10075	1.0
183.11688	1.4
185.09630	2.1
185.13181	2.1
187.09666	4.9
187.11136	1.2
187.14833	1.2
189.09096	1.5
189.11121	1.0
189.12794	1.2
189.16306	1.1
199.14818	2.5
201.12726	1.8
203.06837	1.1
207.08029	1.2
213.16438	2.6
217.15939	1.9
219.13794	1.4
221.15234	0.9
227.18018	1.9
231.17476	1.4
233.15295	1.4
245.19048	1.6
247.20555	1.9
249.09225	1.2
249.18506	3.3
251.00012	2.2
255.17410	3.9
267.10446	1.6
267.19495	0.8
273.18472	11.4
281.22598	3.3
291.19562	11.6
309.20694	11.7
313.16089	0.9
327.12363	4.4
327.19446	1.7
327.22989	6.1
327.26465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01880	4.5
55.05516	2.4
57.03441	3.7
57.07074	0.9
65.03946	1.7
67.05510	4.8
69.03439	2.2
69.07073	3.3
69.38458	1.8
69.38887	2.4
71.05000	2.5
73.02912	0.7
79.05502	6.6
81.03413	1.6
81.07065	11.7
83.04976	1.9
83.08630	2.3
85.02927	0.8
85.06533	2.3
90.23586	0.4
91.05482	6.2
93.07047	14.9
94.04192	0.6
95.04946	2.6
95.08612	6.3
97.02901	4.8
97.06540	3.5
98.98471	100.0
99.04452	2.2
103.03928	0.6
105.07037	8.8
107.04950	1.9
107.08597	9.5
109.06516	3.6
109.10176	3.4
111.04459	2.5
111.08096	1.8
113.05994	0.6
115.05472	2.4
116.99505	4.0
117.03452	0.5
117.07021	1.3
119.04963	1.2
119.08611	5.9
121.06490	2.9
121.10114	2.9
122.03648	1.8
123.04403	0.5
123.08087	1.4
123.11709	2.5
125.06013	3.5
125.09676	0.5
127.07528	1.0
128.06235	0.6
129.05492	5.1
129.06990	0.9
131.04942	0.8
131.08586	1.6
133.02844	0.6
133.06528	1.0
133.10123	4.1
135.08087	2.4
135.11667	1.5
137.04991	0.9
137.05988	11.3
137.07047	0.6
139.07571	1.4
140.01074	0.8
142.07806	0.5
143.00124	0.5
143.04953	2.1
143.07036	1.1
143.08583	1.1
145.06508	0.9
145.10126	1.8
147.08037	1.5
147.11702	8.6
148.00644	0.5
149.06021	1.1
149.09662	0.6
149.13257	1.4
151.03958	1.3
151.07555	0.9
153.05499	2.5
153.18736	0.5
155.08669	0.4
156.07758	0.6
157.08673	1.0
157.10127	1.9
159.07997	0.6
159.11719	0.7
160.05183	1.0
161.06020	1.1
161.09628	0.7
161.13263	1.9
163.07544	0.6
163.11166	0.6
163.14874	0.6
165.04391	0.6
165.09181	0.6
165.12843	2.8
167.08690	0.5
171.04469	1.2
171.08081	0.6
171.11711	1.3
173.09637	0.7
174.99234	17.3
175.07550	2.2
175.11203	2.8
175.99451	0.5
177.05498	1.7
177.12775	1.5
178.07791	0.8
179.08606	0.9
187.11243	0.7
189.07036	0.7
189.12758	3.1
193.10716	0.5
193.12244	3.5
195.08113	0.7
195.13832	0.6
199.11215	1.3
203.07002	3.1
206.07268	1.2
207.08093	2.2
207.13817	2.0
217.06450	1.4
217.12233	2.8
219.07895	0.5
221.09740	0.5
223.07420	0.7
223.13385	0.7
224.08214	0.5
234.06795	2.9
235.07599	2.2
235.13341	1.5
237.09094	0.7
240.07848	0.5
241.08580	0.4
245.06018	0.5
249.09099	3.9
251.00012	3.4
251.07098	0.9
252.07747	0.5
253.14372	0.7
261.14828	0.7
262.06274	0.9
263.07086	0.9
265.08670	0.9
266.09442	1.0
267.10071	2.4
267.16135	0.5
268.07315	0.7
273.14993	1.1
273.17828	0.5
277.08600	5.8
278.09213	0.8
283.09601	0.4
291.15939	1.5
291.19495	0.5
294.08871	2.0
295.09692	1.9
309.11316	4.4
309.16791	2.1
327.12323	7.3
327.18100	12.9
328.12708	0.7
328.18454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01878	10.2
55.05517	9.9
57.03188	1.4
57.03439	19.0
57.07072	1.4
66.76504	0.9
67.05505	11.2
69.03420	4.1
69.07066	8.6
70.63976	3.4
71.04997	6.8
73.02911	3.1
77.03917	1.1
79.05056	1.7
79.05495	23.7
81.03436	1.4
81.07059	32.6
83.04980	7.6
83.08613	3.6
85.02934	1.0
85.06544	7.2
91.05485	20.3
93.07045	63.4
95.04985	11.5
95.08608	15.1
97.02898	2.3
97.06535	11.6
97.10191	1.1
98.98468	100.0
99.04476	5.7
101.06017	2.3
103.03935	3.1
105.07030	40.5
107.04938	2.5
107.08598	39.2
109.02851	0.8
109.06517	14.2
109.10154	8.0
111.08091	8.0
113.05976	2.1
116.99499	3.7
117.05514	5.2
117.07031	2.5
119.04891	1.3
119.08579	22.6
121.06503	10.1
121.10114	6.2
122.72207	1.0
123.04478	1.2
123.08085	5.7
123.11737	5.1
125.05999	7.5
127.07543	5.1
128.78772	0.9
129.05482	25.9
129.06995	2.4
131.08582	3.7
131.72153	1.0
133.02779	1.3
133.06490	2.5
133.10132	15.9
135.08058	11.3
135.11632	1.2
137.05962	4.5
137.09587	2.1
137.13284	2.2
139.07538	6.8
142.07794	1.5
143.07050	8.3
143.08560	3.6
145.10136	7.7
147.04326	1.1
147.08057	3.2
147.10498	2.2
147.11687	45.7
149.09578	1.6
149.13249	3.8
151.07539	2.2
151.11147	1.2
153.09102	1.7
156.07869	1.8
156.09355	2.6
157.08626	4.6
157.10127	6.9
158.59338	0.9
161.09642	1.2
161.13258	7.3
163.11180	1.3
165.09033	1.2
165.12749	14.5
171.11682	9.6
174.99231	15.0
175.11177	16.4
177.05510	1.6
185.11690	1.5
187.47365	1.0
189.12721	15.1
191.14290	2.2
193.12238	17.8
196.79372	0.9
197.60846	0.9
199.11194	5.1
207.08070	1.1
207.13788	10.1
211.13240	1.6
217.12238	16.6
229.14418	1.6
235.13322	11.3
251.00075	3.0
253.14337	3.8
267.15863	1.0
277.08475	1.2
291.15897	2.2
295.09534	1.1
309.16986	5.7
320.98752	0.9
327.12170	4.0
327.18033	69.2
328.18265	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
56.96564	7.4
57.03442	5.8
61.02938	1.4
64.18929	1.0
69.03431	4.2
70.02962	7.2
70.55328	2.7
70.55716	2.4
73.02924	3.3
84.96053	1.5
85.02911	7.1
86.09715	1.5
97.02898	4.5
98.97602	7.8
98.98472	100.0
101.00905	4.7
102.96898	1.8
113.00903	2.3
113.03517	2.0
115.03993	1.9
115.82404	1.0
116.98636	7.5
116.99513	3.9
119.01921	25.5
127.03928	8.6
128.98613	1.6
131.01924	24.0
131.02850	2.1
134.99677	3.9
137.00972	1.2
137.02979	7.0
143.01933	2.5
145.03514	1.2
147.04390	1.6
149.03001	3.1
150.05576	2.6
155.01930	9.0
156.97681	1.4
157.03444	7.9
161.01349	1.3
161.01584	1.6
161.02968	12.3
165.66086	1.4
167.01843	1.3
170.03069	1.8
171.02538	14.5
172.02722	1.2
173.02962	17.5
174.03043	1.2
174.97824	2.1
174.99243	15.9
175.03073	1.4
175.04510	6.1
176.99254	2.0
177.00681	1.4
182.03044	1.8
182.99681	6.4
185.02977	12.3
189.03583	85.9
190.03748	6.1
190.95461	3.0
191.04036	3.5
192.98775	4.6
195.02643	3.7
201.00717	18.1
203.04056	2.6
205.05388	6.4
207.00349	3.4
207.02570	5.1
208.96512	1.9
212.05167	4.0
213.03578	51.1
214.03828	3.2
214.95453	1.5
215.03865	1.7
216.53258	1.2
219.01810	5.9
221.95882	1.1
225.03596	17.7
226.03819	1.9
227.05208	4.0
231.04646	43.1
231.06880	2.3
232.04921	2.2
232.96510	11.1
233.05081	19.7
234.05411	1.6
234.99664	2.2
236.05229	2.2
237.03464	2.5
243.04587	10.1
244.04805	1.5
250.97621	8.6
250.99925	1.9
254.06180	1.5
255.04663	11.1
267.04605	2.8
281.01953	1.2
285.05658	1.3
302.98688	1.9
303.06662	3.2
320.99756	1.5
327.06839	59.0
327.12524	2.3
328.07068	5.5
344.88196	1.3
345.08060	8.0
346.04846	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	327.0477
Annotation	SCHEMBL12018743
Peak:m/z	Relative Intensity
56.41975	2.0
70.25159	6.9
70.25587	3.5
72.77624	1.9
85.02921	2.4
96.71062	2.1
98.20792	2.4
98.97611	2.1
98.98462	11.4
120.43723	1.9
127.03924	4.3
156.04231	7.4
174.99210	2.1
182.99496	3.4
185.03033	2.3
189.28178	2.4
201.00755	6.1
213.03781	2.2
219.01779	3.7
282.91833	2.3
311.05905	2.4
327.04758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05176	0.8
53.03947	1.8
54.39184	0.7
55.01871	2.7
55.05514	5.0
56.56449	0.7
56.96554	2.0
57.03438	4.2
61.02927	7.8
67.05485	1.2
69.03426	14.3
69.07076	0.8
69.67246	1.6
69.67657	4.5
70.06602	1.4
71.04986	2.8
72.08140	1.3
73.02903	2.3
79.05493	2.3
81.03425	6.4
81.07048	2.1
82.65551	0.7
83.04978	1.1
83.08620	19.7
84.04512	1.3
84.08153	1.2
85.02906	81.8
86.03264	1.1
86.09722	1.5
87.04465	2.0
91.03956	5.2
91.05474	4.3
95.04983	1.5
97.02891	20.7
98.20742	1.3
98.98467	100.0
99.04446	5.0
101.02411	0.9
101.09035	1.0
101.09660	13.5
103.05448	1.1
107.08578	0.8
109.02884	6.3
111.04469	1.7
115.05508	1.2
116.07096	1.4
116.98752	0.8
116.99511	5.2
117.07073	1.0
118.39284	0.7
119.04932	0.7
119.08564	0.9
119.10669	1.6
121.06505	1.6
121.10165	1.2
123.04437	0.7
127.03926	19.0
127.09480	0.7
133.02861	5.7
133.06395	0.8
135.04456	0.9
137.05991	7.7
140.01096	1.5
145.04961	35.4
146.05252	0.8
147.04440	0.9
147.10182	4.0
149.06010	2.3
150.06767	0.9
153.04167	1.0
153.05411	1.5
161.06009	1.1
163.03908	2.8
163.06020	8.2
164.04294	2.2
164.05627	10.9
165.08946	0.7
172.44479	0.8
174.99228	15.9
175.07509	1.7
176.08122	0.8
177.05504	2.0
177.06870	0.8
178.07777	0.9
182.16911	0.9
189.07051	0.9
203.07071	2.6
206.07251	1.5
207.08052	1.6
210.06203	4.2
217.06534	0.9
218.99609	0.8
223.07512	1.1
234.06744	1.9
238.08676	0.7
249.09093	2.2
251.00096	4.3
251.07030	1.5
267.10159	1.8
277.08527	4.9
284.09012	1.0
291.10281	0.7
293.57288	0.7
294.08719	2.0
295.09595	1.1
308.18524	1.0
309.11179	2.4
326.11157	1.5
326.14667	4.9
326.19580	4.6
327.08954	0.8
327.12158	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03927	2.5
55.01858	4.0
55.05511	28.5
57.03428	5.8
57.07074	11.5
59.04992	3.5
64.86273	1.8
67.05506	26.9
69.03414	8.3
69.07071	73.1
69.64273	14.5
71.05014	9.8
71.08618	5.0
79.05498	18.3
81.07056	100.0
83.04971	6.5
83.08614	21.8
85.02902	3.8
85.06532	8.0
87.04511	2.1
91.05489	15.0
93.07050	54.0
95.04958	8.0
95.08605	81.6
97.02883	4.9
97.06522	13.2
97.10148	7.7
99.08091	4.1
100.33860	1.8
105.07044	15.9
107.08598	36.2
109.06533	13.9
109.10157	39.8
111.07362	3.6
111.08081	55.5
111.11735	9.5
113.05978	3.0
115.05449	1.9
117.07033	2.3
119.08581	12.2
121.10148	32.9
123.08095	3.2
123.11699	37.5
125.09637	11.6
131.08572	4.1
133.10126	19.0
135.04372	2.3
135.11705	14.2
137.05960	3.5
137.09604	5.1
137.13277	20.8
139.11186	14.5
145.10120	7.9
147.11664	8.6
149.09622	2.1
149.13266	16.3
151.07564	11.6
151.11189	25.6
151.14720	2.2
153.12708	9.2
155.10683	3.1
159.08095	3.9
159.11664	5.6
161.05905	3.7
161.13254	5.2
163.03915	9.0
163.11203	5.8
163.14822	5.1
165.12791	5.2
167.10681	2.9
169.12177	5.3
173.13326	3.2
175.14828	2.6
177.05487	3.6
177.16380	3.9
181.12250	7.4
187.07590	6.5
191.17926	2.1
201.16258	2.4
203.17836	3.1
209.19043	5.3
215.17812	2.0
218.07135	1.9
219.07947	2.8
234.10382	2.5
235.20354	4.5
262.09946	3.2
265.12250	8.5
266.12878	2.4
271.24289	6.0
277.25201	5.9
289.25311	15.8
293.11679	7.3
294.12430	3.4
295.26099	3.5
307.26318	41.6
310.11963	2.3
325.10635	3.7
325.14050	13.0
325.27371	38.8
326.19733	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2739
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.18875	2.7
55.01871	7.0
55.05500	16.8
57.07080	5.4
67.05511	23.2
69.03439	6.1
69.07074	90.5
71.04987	7.2
71.08636	4.1
71.37660	6.0
79.05487	9.4
81.07061	100.0
83.08622	11.8
85.02897	5.7
85.06557	10.6
91.05467	8.0
93.07050	44.4
95.04945	6.2
95.08614	56.2
97.06535	10.5
97.10175	5.9
99.08084	8.4
105.07046	22.3
107.04969	4.7
107.08589	31.6
109.06540	3.9
109.10155	46.2
111.08092	45.1
111.11723	20.9
119.08564	11.0
121.10151	24.0
123.11708	36.6
129.07019	6.8
131.04967	4.6
131.08595	5.7
133.06436	5.3
133.10133	14.5
135.11696	19.0
136.05197	5.7
137.05995	6.0
137.09596	3.4
137.13292	15.1
139.11200	30.3
145.10139	3.5
147.11656	7.5
149.13245	9.9
151.07556	54.8
151.11235	16.1
151.14867	4.1
153.12759	26.3
155.04962	3.4
159.08049	6.5
159.11731	3.4
161.05890	8.2
161.13248	5.5
163.03920	4.8
163.14867	7.7
165.12779	9.8
169.12216	6.5
175.07436	4.1
175.14819	4.6
177.16512	3.9
181.12241	23.3
187.07533	23.7
191.08569	4.5
203.08621	6.0
215.18048	4.0
218.07214	3.4
219.08060	10.9
221.09708	7.3
233.09615	7.2
234.10321	12.2
235.07550	7.8
245.22684	8.3
247.07707	4.5
249.09085	3.7
250.09962	9.0
251.10582	4.8
261.09271	7.3
262.09894	10.5
265.12265	35.4
271.24274	7.0
277.25195	6.5
279.10126	4.5
289.25281	32.6
293.11758	34.2
294.12540	17.7
295.09665	8.7
298.93506	3.3
307.26273	47.9
310.12109	4.0
325.14297	52.1
325.27408	6.4
326.14691	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2739
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.40802	1.7
55.01867	1.9
55.05513	18.9
57.03435	4.6
57.07069	6.9
59.04988	2.2
67.05508	21.5
68.93433	1.8
69.03422	6.6
69.07073	100.0
70.05652	9.3
71.04992	9.5
71.08651	2.2
73.02894	1.6
74.00793	1.6
79.05498	15.1
81.06580	3.2
81.07064	62.9
83.04974	4.0
83.08626	11.7
85.06538	6.7
91.05483	9.4
92.22247	1.5
93.07053	24.6
95.04973	4.9
95.08617	54.3
97.02921	3.4
97.06538	7.9
97.10168	4.0
99.04446	4.9
99.08080	6.3
101.06004	2.2
105.07037	11.3
107.08599	22.8
109.06534	4.6
109.10162	36.8
111.08089	11.5
111.11724	24.9
117.06977	2.0
119.08582	9.3
121.10155	23.6
123.11724	24.6
125.09621	3.0
127.11184	3.1
129.12773	1.7
131.08612	2.7
133.10126	9.9
135.04414	4.5
135.08038	2.1
135.11707	16.5
137.05956	3.4
137.09642	1.9
137.13264	10.7
139.10219	2.6
139.11192	24.2
145.02861	2.8
145.10118	10.6
147.11667	9.0
148.94963	1.7
149.13255	18.0
151.11166	4.8
151.14861	5.4
153.12741	9.1
155.10721	1.8
157.10254	1.8
157.12212	4.5
158.91113	1.9
159.11722	8.3
161.13272	6.4
163.03937	27.8
163.11177	1.9
163.14854	5.0
165.12776	6.6
169.12219	1.6
170.45427	1.7
173.09644	6.9
173.13225	2.6
175.14850	3.4
177.05501	1.7
177.12773	1.9
177.16379	3.8
179.14276	3.0
181.12228	2.4
187.11172	10.9
187.14752	2.4
189.16447	2.9
189.69614	1.5
191.17973	2.0
203.17947	4.2
205.12250	5.0
215.10622	3.9
215.18025	3.4
233.05983	1.8
233.11758	2.1
245.22600	2.8
259.24280	1.7
265.25223	2.2
271.24271	3.8
277.25330	7.5
289.25217	12.2
295.26187	5.2
307.26349	59.0
325.10690	3.8
325.14014	2.5
325.27280	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95619	0.7
53.01244	0.7
55.01868	1.6
55.05509	8.7
57.03428	1.8
57.07069	0.9
67.05500	6.7
67.70144	0.7
69.03407	0.9
69.07073	8.7
71.04995	0.8
71.08630	11.8
71.57967	1.3
74.21870	0.7
79.05480	5.2
81.07059	7.8
83.04955	2.2
83.08629	5.4
91.05467	3.0
93.07046	5.3
93.41951	0.8
95.04971	2.8
95.08585	4.3
97.06553	1.3
97.10168	8.2
99.08080	5.7
101.64796	0.8
105.07011	2.8
107.04935	1.5
107.08598	4.0
108.05776	1.3
109.06503	1.6
109.10147	2.3
117.06982	1.5
119.08594	1.8
121.06498	5.1
121.10155	2.3
123.08040	0.9
123.11731	1.6
123.82460	0.8
125.09610	5.6
131.08521	1.0
133.10052	1.1
135.08076	1.6
135.11700	0.8
138.04387	0.9
145.10063	1.1
151.11176	1.7
163.03847	1.4
165.12695	1.9
175.11195	0.8
177.12744	1.9
186.84273	0.8
194.02951	0.9
203.12810	2.4
229.98763	0.9
275.20108	3.9
293.21100	100.0
294.21411	3.6
307.22665	11.3
325.14240	2.0
325.21182	1.1
325.27222	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	325.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01873	38.4
55.05511	39.5
57.03436	36.8
57.07063	4.3
58.12155	4.1
67.05502	90.3
69.03420	6.8
69.07072	28.1
69.82319	27.2
70.70917	4.0
71.05010	6.5
79.05492	79.3
81.03410	12.8
81.07052	93.6
83.04995	36.8
83.08598	10.9
85.02917	4.2
85.06527	9.6
91.05481	81.9
93.07039	68.6
94.17343	3.7
95.04969	80.9
95.08607	50.8
97.02888	12.0
97.06535	13.5
97.10126	4.5
98.07275	5.4
98.20745	6.7
99.08049	3.9
105.07028	57.8
107.04288	7.6
107.04955	99.7
107.08572	41.3
108.05757	6.5
109.06523	50.2
109.10171	22.0
111.04429	14.2
111.08090	8.5
112.05236	10.0
112.11502	3.9
113.05991	6.6
115.05376	4.6
117.07015	44.5
119.04955	5.4
119.08575	38.0
121.06500	24.1
121.10134	20.4
122.07281	47.1
123.04430	11.2
123.08042	8.7
123.11707	8.1
125.06001	5.3
125.09627	6.8
128.06169	6.6
129.06985	19.6
131.04933	4.5
131.08562	28.2
133.06514	24.5
133.10156	23.9
135.04416	6.8
135.08078	30.1
135.11681	9.6
137.09622	24.8
140.51772	4.2
141.07005	5.8
143.08542	13.3
145.06485	20.3
145.10185	20.8
147.08070	43.9
147.11678	9.5
149.05913	4.6
149.09625	10.8
151.07579	7.9
155.08536	8.6
159.07971	4.8
159.11679	13.0
161.09621	37.0
161.13280	4.4
162.10358	5.7
163.03943	32.9
163.11197	16.0
165.09131	14.6
169.10147	8.1
171.11717	10.8
173.13255	16.9
175.11246	5.2
177.12758	7.9
183.70491	3.7
187.14838	9.4
189.12735	9.7
194.34375	3.5
197.13264	7.8
203.14291	4.3
205.12402	4.9
205.15872	13.2
215.14349	16.1
233.15359	100.0
234.15739	3.9
251.16389	40.1
262.19165	5.6
273.18512	13.1
290.18878	30.0
291.19608	9.8
294.45139	3.9
307.78259	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	325.1435
Annotation	Glabridin
Peak:m/z	Relative Intensity
50.15118	0.9
55.01863	1.6
55.05497	3.3
55.25646	0.9
57.03420	0.9
57.07080	1.5
59.15153	0.9
61.52667	0.8
67.05503	4.5
69.03413	3.2
69.07078	7.1
70.90723	1.6
71.04985	1.1
79.05493	3.6
81.03404	1.7
81.07063	14.8
83.04978	2.7
83.08620	2.3
85.02902	2.8
85.26676	1.0
89.03905	1.3
91.05491	11.9
92.81445	0.9
93.07043	9.7
94.04190	2.1
95.04972	2.6
95.08610	7.2
97.02888	5.0
97.06514	1.3
103.05495	5.3
104.06228	2.1
105.07048	5.5
107.04974	4.5
107.08615	6.3
109.06485	1.8
109.10157	5.8
111.08059	1.4
115.05474	6.2
117.03376	2.4
117.05527	1.2
117.06367	0.8
117.07043	7.9
119.08588	10.6
121.10201	4.4
122.03647	4.7
123.11687	7.8
124.12029	1.1
128.06229	3.7
129.07004	6.2
131.04939	13.8
131.08537	1.6
132.05728	6.4
133.02806	1.7
133.06494	1.3
133.10100	1.8
135.04424	5.6
135.08067	1.3
135.11658	2.9
137.05986	79.1
137.13249	1.8
138.06329	1.2
138.13478	1.0
139.11110	1.0
139.77046	1.0
141.06985	9.6
143.08528	1.5
145.02856	3.9
145.06476	2.9
145.10104	2.1
147.06923	2.0
147.08049	27.0
147.11732	1.4
151.07564	1.0
157.06432	2.0
159.07996	1.2
160.05179	6.3
161.06003	6.1
161.13301	1.0
163.03929	31.0
163.06305	1.2
163.07558	13.3
163.11217	1.2
169.06496	22.7
173.09644	1.3
175.07562	100.0
176.07942	1.3
177.05482	1.9
181.05014	1.3
186.06815	1.2
187.07491	2.9
187.11177	1.5
189.07468	1.2
189.09093	9.9
190.07768	2.0
191.08488	2.0
194.07291	1.2
201.09138	7.4
205.06427	1.5
205.10136	1.3
209.09628	1.4
215.06874	1.3
215.10612	1.1
218.07091	1.5
219.08054	3.6
222.06812	1.8
233.06006	1.3
233.09558	3.3
237.09077	3.4
247.07495	2.0
250.06200	1.4
250.09874	1.0
253.77449	1.0
261.09061	3.8
265.08542	2.8
265.12146	2.8
267.06525	1.4
279.10052	2.5
289.17923	1.3
289.25278	1.4
293.08066	4.0
293.11514	3.9
297.11264	5.4
307.25958	1.3
325.10587	12.6
325.14282	65.8
326.14490	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.56825	0.3
52.20761	0.3
53.03939	0.7
55.01873	0.5
56.96563	3.4
57.03421	1.3
61.02917	1.1
65.03953	0.3
69.03426	3.5
70.36832	1.0
70.98115	0.6
71.01337	0.4
71.04975	0.5
73.02903	1.3
81.03410	2.3
81.67329	0.3
84.96033	0.9
85.02905	5.5
87.00833	0.4
87.04447	0.5
88.99181	0.6
91.05469	1.1
93.36486	0.3
97.02891	1.9
98.97581	2.7
99.04436	0.5
99.45262	0.3
101.02373	0.4
109.02892	1.8
110.97567	0.7
113.20356	0.3
115.03870	0.5
115.85988	0.4
116.98601	1.9
117.01854	1.3
117.05714	0.3
118.06562	3.7
119.01807	0.4
119.04941	1.0
127.03918	38.5
128.04257	2.1
128.98613	1.1
133.07610	3.7
134.99632	1.3
137.05962	0.4
143.00189	0.3
143.24199	0.3
145.07607	100.0
146.06071	0.4
146.08395	1.7
146.99663	2.5
147.04390	2.6
147.09172	0.5
152.05675	0.4
158.99643	0.6
159.02893	0.9
161.01230	0.7
162.05334	0.4
163.08669	65.3
164.09015	0.8
164.98601	0.5
165.00722	2.2
170.99678	0.6
172.97574	0.5
173.01289	0.6
177.00690	1.1
182.99693	3.2
183.01736	0.4
185.02965	1.6
187.06010	0.8
189.00749	0.8
189.02362	0.5
190.98651	1.6
191.02301	0.4
193.08299	0.8
201.00705	8.9
202.00999	0.4
203.03976	0.6
205.00186	1.3
205.05443	0.4
205.55580	0.7
207.01888	0.4
207.05119	0.7
208.99701	0.4
209.02991	1.1
210.02969	0.4
216.02769	1.7
217.03761	0.4
219.01767	4.0
223.01253	1.9
224.02176	0.4
227.03954	1.1
228.04129	0.3
232.99646	0.7
237.02876	2.1
247.01259	0.9
251.00821	0.6
261.02692	0.6
265.02310	0.4
271.01114	0.5
275.00644	0.7
289.02518	0.5
293.01743	0.6
313.02188	1.3
325.13943	83.7
326.14285	2.1
331.03357	0.7
341.01685	0.5
345.04916	0.4
349.04492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61460	0.2
53.03947	1.8
55.01878	1.9
55.05502	0.6
57.03195	0.3
57.03436	3.0
59.04999	0.6
61.02920	0.9
67.05490	0.8
69.03429	16.9
69.07057	0.6
71.01335	1.1
71.04994	5.8
73.02919	0.8
75.04478	0.4
75.46313	0.2
79.05500	0.8
81.03417	18.0
81.07078	1.3
83.04971	0.8
84.08118	0.3
85.02900	1.6
85.06577	0.3
86.09645	0.2
87.04460	0.7
89.03912	0.4
91.05490	1.5
93.07039	1.0
95.04968	1.4
95.08595	1.0
97.02885	1.1
97.06541	0.4
99.03838	0.4
99.04456	6.8
105.03381	1.7
105.07014	0.9
107.04965	0.4
107.08600	0.8
109.06531	0.7
109.10157	0.4
115.05516	0.3
116.04983	0.3
117.03389	0.7
117.05475	1.9
118.06535	4.1
119.08565	0.8
120.08115	0.5
121.02871	0.5
121.10143	0.7
123.08098	0.5
125.06022	0.3
127.03902	0.4
131.04926	0.3
131.08553	0.4
133.10115	0.8
135.04456	0.7
135.08055	0.7
135.11674	0.4
137.06018	0.7
137.09613	0.5
139.07510	0.3
145.02802	0.6
145.06554	0.4
145.07605	6.8
145.08629	0.3
147.04427	0.3
147.08165	0.3
147.09171	8.2
147.11711	0.4
151.07507	0.3
159.09196	0.3
159.11684	0.3
162.07925	1.2
163.03899	5.3
163.06091	0.3
163.07452	0.6
163.08716	1.4
163.11163	0.3
172.06290	0.4
173.07115	12.0
173.13245	0.2
175.08691	5.8
175.11064	0.3
175.14853	0.9
176.09444	0.2
177.05522	0.4
177.09085	0.3
179.10692	0.5
190.07454	0.4
191.08157	100.0
192.08531	1.2
205.09720	0.7
213.10304	0.4
225.06538	0.7
231.11256	0.3
233.09251	1.2
243.11278	0.4
245.09160	0.5
253.06026	0.4
259.10849	0.3
271.10696	0.9
289.11923	1.6
301.20218	0.2
307.12891	33.0
325.08344	1.7
325.13925	32.1
326.14075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.8
56.96552	2.2
57.03435	8.2
69.03423	8.3
70.04072	1.9
71.01355	1.9
71.58098	2.8
73.02911	5.3
81.03401	1.5
84.05628	3.4
85.02905	13.4
96.05608	6.4
97.02887	5.3
98.03529	5.0
103.03978	1.4
106.04056	1.8
109.05125	2.3
112.04994	1.4
115.03924	3.4
121.05123	14.0
123.06671	5.5
124.05110	2.2
125.04602	2.2
125.06973	12.3
126.05415	10.9
127.03929	8.0
127.06136	4.0
133.05023	9.9
136.06184	26.5
137.04514	1.6
138.07736	3.2
145.04994	2.2
145.07620	38.6
147.04430	4.7
148.06177	27.4
149.04636	7.6
150.07776	3.2
151.06183	8.7
152.05710	2.5
153.05603	1.4
153.06493	16.1
154.07240	4.5
160.06145	2.9
161.11412	1.5
163.08664	22.1
165.08839	13.4
166.07254	11.0
172.95277	2.0
175.07256	4.1
176.05688	17.9
177.08871	2.3
178.07280	1.6
185.02917	1.6
193.08347	100.0
194.06711	1.8
201.00687	1.8
235.09277	2.1
266.08792	2.6
268.10501	1.9
297.13080	3.6
307.11551	2.5
321.97656	1.5
325.07504	2.8
325.13916	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.86207	0.3
53.03938	0.8
55.05507	0.7
56.96555	0.5
57.03432	0.6
61.02919	0.6
63.02374	0.3
67.05496	0.8
69.03431	4.9
69.07059	0.7
70.06600	1.7
70.46062	0.4
71.04992	0.9
71.58382	0.5
71.87634	0.3
72.08112	0.5
73.02900	0.3
74.06076	0.7
74.09715	0.6
75.05610	2.2
76.33641	0.3
79.05489	2.2
81.03418	6.7
81.07052	2.8
83.04977	0.7
83.08572	0.4
84.04504	2.3
84.08147	0.8
85.02905	5.2
86.09715	0.5
89.03917	4.8
91.05479	1.5
93.07050	1.2
95.04983	1.2
95.08613	0.5
97.02913	2.3
98.97576	0.4
99.04450	1.6
105.03362	1.0
105.07024	0.4
107.04945	1.5
107.08606	1.3
109.02894	2.7
109.06498	0.8
109.10145	1.3
110.07179	2.6
117.03380	7.1
117.04144	0.7
119.04971	2.0
121.02875	0.5
121.06480	0.5
122.06097	0.4
123.04414	0.4
123.08055	0.3
123.11682	1.0
126.05528	3.6
127.03924	2.7
129.10158	0.4
131.28204	0.3
134.99626	0.5
135.04416	17.9
135.11623	0.5
136.06194	0.4
137.09616	0.7
145.02847	10.9
145.04860	0.7
146.03177	0.5
147.04393	5.8
149.09705	0.4
151.11205	3.4
156.07713	0.6
158.99612	0.4
163.03905	100.0
164.04265	3.0
169.12213	0.8
171.07655	0.4
181.04965	1.9
186.05525	0.4
203.07500	0.4
204.08655	0.7
282.08783	0.4
289.11163	0.9
307.08173	6.7
307.12085	1.1
308.08524	0.5
325.09210	3.1
325.13290	1.3
325.17465	0.5
326.12073	2.0
326.16913	0.5
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	Skimmin
Peak:m/z	Relative Intensity
50.26987	0.2
53.03932	0.8
55.01855	0.3
55.05498	0.7
57.03422	1.0
57.07079	0.4
63.02378	0.3
67.05495	1.2
69.03080	0.3
69.03432	5.2
69.07056	1.1
70.47244	1.2
71.01315	0.3
71.04988	0.6
79.05498	1.7
81.02988	0.3
81.03418	3.1
81.07060	2.1
85.02907	3.6
89.03396	0.4
89.03914	5.5
91.05483	1.4
93.07058	1.4
95.04948	0.7
95.08612	1.6
95.78754	0.3
97.02889	9.3
97.06513	0.4
99.04436	0.8
101.02376	0.5
103.03941	0.4
105.07008	0.9
107.04971	2.6
107.08579	0.8
109.02862	1.1
109.06486	0.4
109.10152	0.5
111.08044	0.3
117.03381	7.4
117.06905	0.3
119.08593	0.6
121.10132	0.7
123.08064	0.5
123.11716	0.6
127.03923	1.5
133.02782	0.3
133.10155	0.4
135.04413	18.2
135.11728	0.4
136.04753	0.4
137.05930	0.5
141.09140	0.3
145.02846	12.1
145.03989	0.7
145.10030	0.3
146.03253	0.5
151.11206	0.5
163.03902	100.0
163.50789	0.3
164.04236	3.0
178.07938	0.3
181.04970	1.9
186.05499	0.5
201.05511	0.3
205.06514	0.4
233.05948	0.5
237.09145	0.3
247.14668	0.3
289.18225	0.4
293.08200	0.5
297.11121	0.4
307.08026	3.1
307.26233	0.6
325.09064	6.4
325.14413	0.3
326.09171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
54.63950	0.3
55.05500	0.8
57.03434	1.4
61.02901	0.3
61.74799	0.3
65.78543	0.3
67.05486	1.0
69.03431	5.1
69.07047	0.8
71.01352	0.4
71.04979	0.9
78.44752	0.3
79.05488	1.3
81.03424	2.2
81.07048	1.0
83.04942	0.4
83.08624	0.4
85.02903	3.8
89.03400	0.5
89.03911	5.0
91.05484	0.6
93.07044	1.0
93.85509	0.3
95.04980	0.5
95.08596	0.7
97.02890	11.2
97.03516	0.6
99.04449	0.7
101.02370	0.6
105.07014	0.9
107.04948	1.9
107.08546	0.8
109.02876	1.0
109.06512	0.5
109.10151	0.6
117.03382	7.6
119.04920	0.4
119.08559	0.6
121.06524	0.5
121.10109	0.4
123.08038	0.6
127.03917	1.5
130.41455	0.3
133.10149	0.4
135.04417	17.4
135.11609	0.4
136.04762	0.5
137.05916	0.4
139.07582	0.5
145.02834	11.4
145.04898	0.8
152.89175	0.3
157.10150	0.4
157.43497	0.3
159.08006	0.4
163.03903	100.0
164.04245	2.9
176.11711	0.3
181.04964	2.4
186.05495	0.5
263.16476	0.4
289.17960	0.6
307.08029	2.0
307.18851	0.3
325.09177	6.2
325.13321	0.5
325.21582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19225	0.3
53.03933	1.2
55.01857	0.5
55.05493	0.3
56.96555	0.3
57.03420	0.9
67.05484	0.3
69.03432	4.4
70.99728	0.8
71.04980	1.2
79.05499	1.5
81.02620	0.3
81.02980	0.5
81.03414	7.0
81.07059	0.8
83.04977	0.3
83.66245	0.3
85.02899	3.6
89.03917	6.0
89.92068	0.3
91.05479	1.2
93.07025	0.8
95.04987	0.5
95.08588	0.5
95.98178	0.3
97.02895	4.1
99.04482	1.4
103.05444	0.9
105.07037	0.4
107.04961	3.3
107.08562	0.3
109.02894	3.4
109.10145	0.3
115.05483	0.5
116.98653	0.3
117.03374	7.5
117.07001	0.4
119.08547	0.7
127.03939	1.4
129.06996	0.6
131.04878	1.3
133.02850	1.0
135.04417	18.4
136.04651	0.3
137.05978	5.8
138.06343	0.3
141.06984	0.7
145.02847	10.8
146.03218	0.4
147.08014	1.7
151.07520	0.7
160.05177	0.5
163.03903	100.0
164.04257	1.9
169.06421	1.3
175.07558	5.4
181.04924	2.1
187.07518	0.5
189.09167	0.6
190.05020	0.3
201.05563	0.3
201.09010	0.4
222.06876	0.4
293.08221	0.7
293.11655	0.4
297.11301	0.4
307.08060	8.4
308.08554	0.5
325.09357	3.9
325.14383	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01862	0.3
55.05497	0.2
57.03418	0.4
61.02912	0.3
61.75161	0.1
63.02384	0.3
67.05470	0.1
69.03432	7.4
69.07053	0.2
69.58425	0.9
71.04984	0.6
73.02907	0.3
73.53992	0.1
75.63519	0.2
78.48895	0.1
79.05489	1.0
81.03419	6.9
81.07045	0.4
83.29212	0.1
85.02907	2.8
89.03915	4.3
90.50303	0.1
91.05473	0.4
93.07014	0.2
95.04960	0.3
95.08577	0.2
97.02898	2.3
99.04477	0.8
105.06979	0.1
107.04955	1.7
109.02889	2.4
111.48951	0.1
117.03384	7.0
118.03756	0.2
119.04963	0.2
119.08614	0.2
123.04473	0.2
123.11687	0.2
127.03918	3.6
129.07021	0.3
135.04416	16.3
136.04739	0.4
137.05939	0.2
145.02847	11.4
146.03203	0.2
149.09546	0.1
163.03905	100.0
164.04234	2.7
175.07570	0.2
179.64600	0.1
181.04984	1.6
186.05489	0.3
247.06050	0.2
265.07144	0.3
289.18158	0.1
307.08136	9.1
308.08490	0.5
325.09207	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03937	0.7
54.80391	0.2
55.01855	0.6
55.05302	0.2
55.05511	2.2
56.96539	0.3
57.03438	1.3
57.07050	0.2
59.04988	0.3
67.05506	2.2
69.03070	0.3
69.03423	4.6
69.07062	1.6
69.27090	2.0
69.27522	0.8
71.01337	0.6
71.04984	1.1
79.05054	0.3
79.05492	2.8
81.03410	2.3
81.07051	3.2
83.04955	0.5
83.08630	1.2
85.02898	3.0
85.06543	0.4
86.09692	0.8
89.03907	5.1
91.05438	1.2
93.07017	1.7
95.04967	1.2
95.08595	1.5
97.02888	10.4
97.06514	1.3
97.10159	2.1
99.04445	0.8
99.08096	0.2
101.02374	0.5
105.07017	1.2
107.04944	2.7
107.08582	1.8
109.02853	0.9
109.06494	0.7
109.10142	1.1
109.81644	0.2
111.08081	0.5
115.07568	0.3
117.03371	6.6
117.07014	0.8
119.08598	1.1
121.06478	1.1
121.10100	0.7
123.08039	0.5
123.11713	0.4
125.09650	1.4
127.03910	1.4
131.08586	0.6
132.10161	0.5
133.10117	0.8
135.04407	17.6
135.08051	1.2
137.05933	0.4
137.09637	0.5
143.08456	0.2
145.02835	11.0
145.06555	0.4
145.10112	0.7
146.03152	0.4
147.07976	0.3
147.11670	0.7
151.11124	0.4
152.11551	0.2
155.08553	0.3
157.10156	0.5
159.08051	1.6
159.11691	0.4
161.09688	0.4
161.13348	0.3
163.03893	100.0
164.04216	2.6
167.63480	0.2
171.11642	0.5
173.09492	0.3
181.04984	2.3
186.05502	0.7
189.11208	0.9
233.15611	0.3
243.17540	0.3
253.15962	0.6
261.18314	0.4
271.16888	0.8
275.20007	0.5
279.21613	0.4
289.17953	4.3
307.08176	2.5
307.15982	0.4
307.18985	1.6
325.09128	7.3
325.16949	0.4
325.20795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69158	0.2
53.03948	0.5
55.01868	0.4
55.05524	0.2
56.96571	0.3
57.03436	1.3
67.05492	0.5
67.56197	0.2
69.03074	0.3
69.03429	5.2
69.07069	0.5
70.44701	0.7
71.01347	0.5
71.04999	0.6
73.02918	0.3
74.33533	0.2
79.05506	1.2
81.03415	2.3
81.07056	0.9
83.03048	0.2
85.02905	3.1
87.04491	0.3
88.75790	0.2
89.03913	5.6
91.05469	0.6
93.07051	0.5
95.04977	0.3
95.08607	0.7
97.02892	11.0
97.06538	0.4
98.03236	0.3
99.04456	0.7
101.02392	0.6
105.07030	0.5
107.04946	2.1
107.05531	0.2
107.08615	0.2
109.02863	0.8
109.06483	0.2
109.10137	0.4
110.01241	0.2
110.97602	0.3
113.73769	0.2
114.68816	0.2
117.03379	7.3
118.03664	0.2
119.08639	0.2
123.08046	0.4
127.03924	1.5
128.98528	0.3
129.05417	0.3
131.08534	0.2
133.06421	0.2
133.10159	0.4
135.04417	18.2
136.04868	0.3
137.05992	0.9
143.41457	0.2
145.02844	13.4
146.03281	0.3
146.99619	0.2
151.07564	0.3
158.26076	0.2
161.05963	0.4
163.03903	100.0
164.04239	2.8
169.07025	0.3
171.83035	0.2
181.04939	2.4
183.11642	0.2
186.05498	0.5
201.09000	0.3
235.09111	1.3
235.59274	0.3
251.50461	0.2
265.06934	0.2
279.21017	0.3
283.09564	0.2
289.17996	0.4
293.11612	0.2
295.68134	0.2
307.08096	2.0
307.11780	0.3
325.09171	6.3
325.13495	0.4
325.21072	0.4
326.09506	0.3
329.58908	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03930	0.8
56.33850	0.2
56.83655	0.2
57.03439	0.3
57.36036	0.3
61.02924	0.4
67.05466	0.3
69.03428	4.4
69.29311	0.4
69.29721	2.7
78.34225	0.2
79.05472	1.2
81.03419	3.3
85.02894	3.1
89.03402	0.4
89.03914	4.7
91.05492	0.3
95.04939	0.3
97.02876	2.1
99.04480	0.5
103.53660	0.2
107.04961	1.8
109.02872	1.3
117.03378	7.5
119.81306	0.2
126.19680	0.2
127.03902	1.4
130.39218	0.3
131.04967	0.3
133.10059	0.3
135.04408	16.8
137.06001	1.7
145.02846	11.4
145.03848	0.2
147.07988	0.3
163.03896	100.0
164.04239	2.9
169.06479	0.6
175.07527	1.9
181.04944	2.4
186.05399	0.4
201.09189	0.3
230.39374	0.3
246.75021	0.3
307.08105	5.2
325.09122	4.3
325.14114	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
56.96537	0.4
57.03419	1.2
58.00174	0.3
58.06469	0.3
68.28212	0.4
69.03429	4.5
69.07081	0.4
69.42628	1.5
69.43050	1.8
71.01334	0.4
71.04993	0.4
79.05495	1.1
81.03411	2.1
81.07062	0.8
85.02900	2.6
89.03912	4.8
97.02280	0.6
97.02893	10.1
98.97528	0.4
99.04451	0.6
100.69071	0.4
101.02357	0.4
107.04964	1.7
107.36671	0.4
109.02843	0.7
117.03379	7.7
127.03859	0.7
128.98656	0.8
135.04424	17.1
136.04816	0.4
145.02849	12.1
145.03990	0.6
146.03117	0.5
146.99634	0.5
163.03908	100.0
163.36368	0.4
164.04250	2.3
167.02774	0.5
181.04939	2.4
184.68628	0.3
186.05577	0.3
202.53896	0.4
205.27695	0.3
235.08997	1.7
307.08136	2.2
307.11807	0.5
325.09161	7.4
325.12790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.19933	0.2
53.03939	0.7
56.11060	0.2
57.03426	0.8
67.97000	0.3
69.03429	3.7
69.07059	0.3
70.00700	0.5
70.01108	0.9
71.01355	0.5
71.04991	0.5
79.05486	1.0
81.03423	3.1
81.07049	0.5
81.19796	0.2
85.02899	2.7
89.03922	5.0
91.05505	0.3
93.07032	0.3
95.04968	0.5
95.08631	0.4
97.02894	7.5
99.04442	0.7
101.02364	0.4
105.07011	0.3
106.37658	0.2
107.04948	1.8
109.02922	1.4
109.10176	0.3
114.62830	0.3
117.03379	7.1
118.03754	0.3
123.08080	0.3
127.03890	1.2
130.66693	0.3
135.04419	16.8
136.04694	0.4
145.02849	10.8
146.03178	0.6
161.24051	0.2
163.03903	100.0
164.04245	3.3
181.04984	2.2
186.05479	0.4
264.13080	0.3
265.06946	0.3
307.08087	3.7
325.09152	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	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03935	0.7
56.96574	0.3
57.03420	1.2
67.05481	0.5
69.03426	4.0
70.86063	1.1
71.01368	0.4
79.05478	1.2
81.03405	1.3
81.07044	1.7
85.02908	3.0
89.03922	5.0
95.08599	0.7
97.02888	9.4
98.97578	0.4
99.04470	0.9
101.02364	0.5
102.23009	0.4
107.04963	1.6
109.02936	0.4
116.98630	0.4
117.03369	6.0
127.03899	1.2
133.10059	0.3
135.04411	15.3
135.99980	0.3
136.04848	0.4
145.02841	11.2
145.03983	0.7
146.99628	0.3
151.65050	0.4
163.03899	100.0
164.04253	2.4
175.40063	0.3
181.04955	2.1
186.05453	0.6
201.00713	0.3
210.08452	0.4
235.09010	0.7
307.08194	2.6
325.09158	6.8
325.12753	0.6
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
50.85044	0.3
51.69890	0.3
53.03932	0.4
55.05501	0.7
57.03436	1.3
61.02899	0.3
61.27438	0.2
65.77626	0.2
67.05495	0.3
69.03426	4.5
69.07049	0.7
69.43667	2.5
71.01353	0.6
71.04965	0.7
73.02896	0.6
75.91541	0.3
79.05502	1.4
81.03413	1.8
81.07043	1.0
83.04993	1.5
85.02901	4.7
89.03909	5.0
91.05463	0.8
93.07023	0.8
95.04950	0.6
95.08582	0.9
97.02892	10.9
97.03515	0.7
98.03185	0.4
99.04441	0.8
101.02333	0.5
105.07042	0.7
107.04929	1.8
107.08589	0.5
109.02864	0.7
109.06496	0.5
109.10116	0.3
117.03366	6.8
119.08574	0.7
121.10106	0.4
123.08017	0.3
123.11556	0.4
127.03914	1.0
131.08540	0.3
135.04410	17.1
135.11716	0.4
136.04761	0.4
136.67203	0.3
137.05923	0.4
145.02841	11.4
145.10098	0.4
147.31302	0.3
155.08415	0.3
157.10138	0.4
161.13269	0.3
163.03900	100.0
164.04182	2.2
173.13255	0.4
181.04935	2.4
183.11659	0.4
186.05441	0.5
263.16629	0.3
265.06912	0.5
289.17978	0.5
292.21234	0.3
293.11487	0.5
307.08002	2.2
323.53375	0.3
325.09210	6.4
325.14236	1.0
325.21988	1.7
325.28854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.22767	0.1
53.03949	0.6
55.01871	0.2
55.03386	0.2
57.03239	0.1
57.03436	1.4
69.03426	7.7
69.52831	1.3
71.01344	0.8
71.04986	0.6
73.02914	0.4
75.44144	0.2
76.61233	0.1
79.05484	0.9
81.03411	2.8
83.01328	0.2
85.02901	4.8
89.03911	4.9
90.04284	0.2
93.61588	0.1
95.05016	0.2
97.02887	18.3
98.03211	0.2
98.97557	0.3
99.04453	1.4
101.02369	1.1
107.04942	2.3
109.02876	1.0
115.71785	0.1
117.03372	7.8
118.03695	0.2
119.04885	0.2
122.27576	0.2
127.03907	1.6
135.04408	16.0
136.04741	0.3
145.02841	11.7
146.03223	0.3
163.03896	100.0
164.04233	3.1
181.04950	3.7
186.05472	0.3
192.24826	0.1
200.31387	0.2
265.07010	0.4
297.11252	0.3
307.08112	3.8
308.08606	0.3
325.09155	10.7
326.09476	0.4
333.75095	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	324.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.0
57.07075	0.8
67.05505	4.5
69.07065	5.6
69.28283	5.5
69.28693	1.2
70.06594	1.3
79.05498	3.2
81.07064	7.1
83.08614	2.6
87.78385	0.6
91.05478	1.7
93.07041	5.2
95.08616	6.7
97.03004	0.6
97.10167	1.0
98.09691	1.5
103.05461	1.6
105.07040	2.4
107.08606	4.8
109.10145	5.5
117.07000	2.9
119.08604	0.7
121.10154	4.9
121.72841	0.6
123.11710	1.4
128.06213	0.6
129.07004	2.1
130.06520	2.7
131.04926	3.3
131.08582	3.8
132.04449	0.7
133.10089	0.7
135.11700	1.0
143.08586	1.3
144.08099	5.8
145.06497	2.8
145.10120	1.2
146.06023	9.3
147.06689	0.6
148.07596	4.2
149.13277	1.2
155.08531	1.5
157.06529	1.4
157.10143	1.1
158.06024	2.9
159.06850	0.8
159.08038	0.8
160.07588	2.6
165.07002	0.6
167.08572	1.1
171.08084	1.6
172.07582	50.5
173.08138	2.4
174.09108	2.6
177.16396	9.6
181.10144	0.9
183.08083	1.4
186.09117	2.5
193.10114	1.0
195.08113	1.3
197.08229	1.1
197.09798	0.8
198.09215	1.9
200.10802	0.6
205.10138	1.3
207.11699	1.4
208.08824	0.6
209.09520	1.4
211.11198	1.1
212.10725	5.2
214.12300	1.3
216.13916	1.2
218.10941	0.9
219.11676	1.8
223.11070	1.4
226.12311	1.9
228.13757	0.7
233.13272	2.5
240.13878	3.5
247.14883	1.1
251.14333	1.3
289.19479	1.0
307.20602	1.5
324.23227	100.0
325.23569	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	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.45317	0.4
55.01873	0.6
55.05510	2.4
57.07057	0.6
67.05502	3.7
69.03417	0.6
69.06714	0.8
69.07069	10.1
71.59924	0.8
75.52587	0.5
78.46658	0.5
79.05498	3.6
81.07062	7.8
83.04977	4.0
83.08643	0.5
85.06543	0.5
86.09704	100.0
91.05479	9.3
93.07048	12.1
95.04989	1.9
95.08585	2.8
97.06512	1.2
105.07024	15.0
107.04953	0.7
107.08588	3.4
109.06515	9.6
109.10153	1.8
111.08065	3.9
112.53773	0.6
119.08587	4.9
121.06548	0.7
121.10120	1.0
123.08104	1.0
123.11769	0.7
128.10727	4.7
129.06996	0.6
131.08572	4.2
132.10204	30.8
133.06506	1.3
133.10124	19.3
135.08102	0.7
147.08087	0.9
147.11690	14.2
149.09674	1.3
149.13284	0.8
151.07558	3.3
151.11183	47.2
156.10214	1.9
157.10168	1.0
163.03925	3.5
165.12772	2.1
175.11189	5.3
193.12248	4.6
211.32744	0.5
218.69250	0.5
220.55489	0.5
222.14882	1.5
260.20071	7.1
273.18396	0.7
278.21143	32.0
306.20670	8.0
312.91953	0.5
324.21692	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2943
Annotation	propyl linoleate
Peak:m/z	Relative Intensity
55.05510	15.9
57.07077	68.2
61.05330	2.0
65.03934	2.5
67.05170	3.2
67.05506	42.8
69.07069	23.0
71.08633	51.1
71.11697	3.2
71.12051	3.6
73.02908	3.5
76.20905	1.9
79.05494	12.8
81.07056	33.6
83.08644	12.6
85.06549	4.6
85.10180	21.5
85.39028	1.6
91.05477	5.0
93.07055	9.6
95.04971	4.6
95.08609	100.0
97.06528	7.3
97.10178	13.7
105.06982	2.7
109.10151	18.5
111.11705	5.8
119.08598	4.5
121.10126	3.6
123.11703	10.4
125.13256	1.7
127.46288	2.1
135.11726	2.6
137.09666	3.5
137.13251	4.5
138.31682	1.7
143.86464	1.8
147.11682	3.8
161.06001	3.8
161.13283	2.2
211.20564	29.8
220.35548	1.8
237.22203	2.1
259.07568	3.1
287.27411	5.2
291.10233	3.4
305.28409	13.6
323.12836	8.2
323.29382	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	323.2581
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
52.77947	2.2
53.03941	5.9
53.87093	2.4
55.01881	3.5
55.05511	24.4
57.03428	9.5
57.07058	6.8
59.04994	5.6
60.28130	2.1
63.36023	2.0
67.05511	39.7
69.03433	14.2
69.07069	68.5
70.33779	8.0
71.05012	11.5
71.05349	2.3
71.08633	2.3
73.06550	3.1
79.05494	33.7
81.07059	92.3
83.04975	9.9
83.08620	12.6
85.06528	7.8
91.05486	20.1
93.07051	92.3
95.04969	21.8
95.08611	100.0
97.02859	4.3
97.06522	11.8
97.10184	7.2
99.08080	3.7
103.05477	3.2
105.07027	28.5
107.08604	39.6
109.02889	4.2
109.06516	19.0
109.10155	36.5
111.08099	16.3
111.11705	8.6
117.07005	2.8
119.08581	21.6
121.06532	3.1
121.10149	87.0
122.10422	2.9
123.08068	10.5
123.11720	24.6
125.09622	12.1
127.07574	3.1
129.06908	2.6
131.08565	10.5
133.06488	2.4
133.10129	12.7
135.08061	2.5
135.11681	10.6
137.05981	6.7
137.09605	7.9
137.13249	19.7
139.11171	22.0
145.10095	5.3
147.11668	13.5
149.09598	9.3
149.13269	8.1
151.11186	3.6
153.12730	3.6
155.10649	5.3
157.10106	3.5
159.11693	7.4
161.05978	5.5
161.13261	3.5
163.11176	2.5
163.14771	2.3
165.12753	8.5
167.10699	33.5
173.13200	3.2
175.14760	4.2
177.12788	2.5
177.16373	3.5
181.12318	2.9
185.11711	2.8
187.14851	2.9
195.13673	3.1
199.14867	3.4
201.16437	3.1
203.08617	3.4
207.17426	2.9
213.16443	4.1
215.17905	2.9
217.19426	2.4
231.08008	6.2
231.21248	3.6
232.08827	2.3
255.14037	2.6
259.07471	3.4
269.22598	4.9
276.07666	2.8
287.23611	10.9
291.10254	11.7
292.10907	2.6
293.24817	3.4
305.24789	28.4
323.12515	5.5
323.18570	6.6
323.25854	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03921	1.3
55.01878	1.7
55.05512	12.2
57.03450	1.8
57.07070	5.4
59.04997	1.9
61.74681	1.4
67.05511	18.9
68.64819	1.2
69.03427	11.2
69.07070	21.5
69.42488	12.6
71.04992	13.7
74.80042	1.2
79.05496	11.4
81.07061	100.0
82.07388	1.6
82.29936	1.4
83.05013	2.5
83.08628	5.9
85.02907	1.4
85.06562	2.9
87.04468	4.1
91.05485	8.9
93.07048	32.2
95.04974	74.4
95.08609	68.6
97.02890	5.0
97.06535	4.9
97.10167	2.8
99.08112	2.3
105.07038	24.7
107.08605	24.6
109.02872	1.6
109.06525	6.4
109.10165	19.8
111.08082	15.1
111.11700	1.9
117.07009	2.1
119.08574	17.7
121.06561	1.5
121.10150	19.6
123.08063	3.9
123.11710	36.0
125.09642	3.2
127.07555	1.5
127.11213	4.9
131.08588	6.0
133.10156	8.5
135.11685	9.4
137.09601	2.0
137.13258	60.7
139.11169	3.9
141.09059	1.9
141.12735	4.3
143.08563	1.9
145.10104	8.3
147.04411	1.5
147.11702	29.6
149.09673	2.2
149.13257	4.9
151.07568	1.3
151.11160	2.1
153.12721	4.2
157.10155	10.0
159.11690	17.8
161.09624	1.7
161.13246	8.9
163.11127	2.4
165.12761	10.6
167.10690	3.5
171.11725	5.1
173.13248	7.7
175.14821	4.2
177.16440	2.6
183.13753	1.6
185.13277	2.1
187.14844	2.5
189.16371	2.0
199.14838	4.6
201.14833	1.8
201.16440	9.7
203.17973	1.6
213.16385	6.8
215.18004	2.5
265.62759	1.2
269.22668	5.6
277.25143	2.1
287.23712	22.8
288.24091	1.4
291.10287	1.7
305.24744	18.8
321.60471	1.4
323.12613	1.9
323.18469	6.7
323.25836	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	323.2583
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03957	3.8
55.01872	5.5
55.05519	22.8
56.62003	1.9
57.03439	5.5
57.07076	7.9
59.04992	5.3
65.03934	2.8
65.38408	1.7
67.05506	30.2
67.60856	1.6
69.03435	12.7
69.07072	66.9
69.89580	7.5
69.89986	3.2
70.07407	2.7
71.04995	12.6
79.05493	23.6
81.03422	4.1
81.07062	100.0
83.04989	16.5
83.08624	16.8
85.02911	2.6
85.06558	8.0
91.05469	18.8
92.23309	1.9
93.07048	69.4
95.04971	23.9
95.08614	79.9
96.08954	2.1
97.02882	10.5
97.06541	15.3
97.10183	6.1
98.20780	2.0
99.04453	3.9
99.08092	2.8
101.06033	2.0
105.07040	31.8
107.04974	3.3
107.08601	46.8
108.08934	2.5
109.02869	3.1
109.06530	13.0
109.10155	40.6
111.04453	2.3
111.08090	26.6
111.11753	4.3
113.06024	1.9
115.05489	2.0
116.06554	1.7
117.07041	3.3
119.08588	25.1
121.06554	2.1
121.10152	55.5
123.08099	6.5
123.11713	49.8
125.06002	2.6
125.09636	7.2
127.04028	2.0
127.11172	2.2
129.07034	3.3
131.08595	8.2
133.10136	17.6
135.08058	2.6
135.11705	22.4
136.17320	1.9
137.06012	5.8
137.09644	7.0
137.13275	13.0
138.06285	1.8
139.11203	14.9
140.11613	2.6
143.08540	4.1
143.61168	1.7
145.10141	8.8
147.04457	3.9
147.11697	16.1
149.09674	6.4
149.13263	15.9
151.07562	2.1
151.11209	8.2
153.12778	8.5
157.10149	5.9
159.11716	8.0
161.06010	4.8
161.09602	2.4
161.13301	7.4
162.13684	1.8
163.11220	6.4
163.14871	4.5
165.12773	5.3
167.10692	12.6
171.11728	2.7
173.13268	5.5
175.14845	7.7
177.12663	2.2
177.16438	3.8
181.12242	8.3
185.13301	2.6
187.14729	3.5
189.16409	4.4
195.13901	2.1
199.14828	2.3
201.16394	3.4
202.07796	2.7
203.08640	3.3
203.18121	2.7
207.17525	2.2
225.04279	2.3
231.08044	5.7
234.06767	2.8
235.07613	3.6
248.08215	2.4
249.18608	2.7
259.07419	2.4
263.07016	4.1
263.10733	5.0
269.22717	6.6
276.07715	2.2
280.07489	3.2
287.23712	7.1
291.07104	1.7
291.10196	11.0
293.24765	2.5
305.24759	29.4
306.25296	2.6
323.05334	3.8
323.09073	9.3
323.12802	12.3
323.18756	2.3
323.25827	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03934	2.7
55.01865	3.5
55.05513	22.2
57.03437	5.6
57.07072	9.7
59.04985	2.8
65.03945	1.8
67.05505	38.1
69.03443	14.3
69.07069	65.9
69.48224	18.3
71.01353	2.0
71.04988	18.5
73.06570	2.0
79.05495	22.2
81.03426	3.9
81.07058	100.0
83.04978	13.6
83.08620	17.1
85.06551	11.5
87.04496	2.9
91.05490	18.7
93.07049	79.2
95.04968	23.3
95.08611	85.5
96.75848	1.8
97.02879	3.1
97.06549	16.7
97.10184	9.8
99.04445	3.7
99.08083	2.7
105.07035	29.6
107.08601	41.3
109.02933	2.2
109.06516	14.3
109.10155	47.4
111.04435	2.8
111.08105	18.8
111.11707	4.3
117.07011	3.7
119.08589	27.2
121.06514	3.6
121.10150	75.8
123.08087	7.3
123.11710	38.4
125.09638	7.8
127.07561	3.1
127.11098	2.3
131.08554	7.9
133.10150	16.3
135.11684	21.4
137.09630	7.4
137.13243	11.1
139.07495	3.4
139.11205	12.9
143.08594	2.6
145.10136	11.9
147.11700	19.2
149.09622	8.3
149.13261	15.7
151.11243	6.8
153.12770	7.7
155.10631	3.7
159.11757	9.9
161.13261	7.8
163.11180	8.6
163.14903	3.2
165.12784	8.8
167.10695	20.6
171.11647	2.7
173.13235	2.9
175.14850	4.1
177.12770	2.1
177.16377	3.9
181.12274	7.1
187.14783	4.5
189.16249	4.8
201.16402	3.2
203.17897	2.4
207.17413	2.5
213.16394	3.6
217.19579	2.4
235.20596	3.1
257.22638	2.5
259.24365	3.1
259.59540	2.1
261.22278	3.1
269.22638	6.8
275.23590	3.1
287.23755	12.4
291.10223	2.2
293.24646	3.3
305.24744	32.5
323.12607	6.0
323.18536	6.0
323.25839	46.8
324.26385	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	323.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01870	1.7
55.05510	9.2
56.05090	1.1
56.11358	1.2
57.03432	3.1
57.07088	6.6
59.04991	2.2
65.03947	1.2
67.05511	19.0
69.03435	9.4
69.07066	20.5
70.33027	6.2
71.05001	15.6
71.05378	1.9
71.08622	1.5
79.05499	13.6
81.03410	2.6
81.07058	100.0
82.07405	1.5
83.04977	3.7
83.08605	6.3
85.06542	4.9
86.88710	1.3
87.04467	1.6
89.61730	1.2
91.05475	9.8
93.07041	32.4
95.04972	66.0
95.08607	69.5
97.06536	4.2
97.10168	3.3
103.05480	1.5
105.07034	23.9
105.09934	1.4
107.08594	21.3
109.06518	9.3
109.10161	19.4
111.08079	13.6
112.81387	1.2
117.07041	1.9
119.08582	17.0
121.10139	21.6
123.08064	3.4
123.11700	33.1
125.09659	4.0
127.11216	4.2
129.06992	1.4
131.07681	1.3
131.08588	5.1
132.05602	1.2
133.06511	2.0
133.10110	10.9
135.08070	1.7
135.11696	9.2
137.05983	8.8
137.09590	2.2
137.13258	58.5
139.11174	6.3
141.09084	2.3
141.12743	4.8
141.26176	1.4
143.08618	2.2
145.10120	6.5
146.03632	2.6
147.11696	27.2
149.09712	1.9
149.13242	5.6
149.52278	1.3
151.11226	2.8
153.12761	3.6
157.10141	6.8
159.11681	16.6
161.05991	25.9
161.13246	8.3
162.06374	1.4
163.14828	2.0
165.12767	11.2
167.10672	4.1
171.11711	3.7
173.13228	7.2
175.11403	1.4
175.14809	2.0
177.16417	2.1
183.13904	1.9
185.13300	2.3
187.14886	1.7
189.16357	2.1
191.08578	1.7
199.07536	4.2
199.14847	4.8
201.14767	2.5
201.16437	8.7
202.07800	4.7
203.08539	10.5
209.15309	1.5
213.16411	6.3
215.17941	1.8
217.19572	1.9
218.52423	1.4
219.08092	4.6
219.17316	1.6
220.08830	4.3
221.18932	1.2
227.17986	1.4
230.07178	1.7
231.08061	16.2
232.08656	4.1
247.07539	4.0
248.08304	7.3
249.08850	1.8
258.06723	1.4
259.07602	15.8
260.08240	8.7
263.10760	7.4
269.22690	4.7
275.06924	1.8
276.07840	6.4
277.08389	1.6
277.25406	1.8
287.23709	21.6
291.10159	32.3
292.10504	6.8
293.08139	3.0
305.24777	15.5
308.10617	1.7
323.12790	22.6
323.18625	5.2
323.25839	11.7
324.13223	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2583
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.62429	1.6
55.05516	10.7
57.07090	7.4
59.05004	2.2
59.52529	1.5
60.84560	1.8
67.05507	15.7
69.03421	5.7
69.07077	23.4
70.58526	3.5
71.04990	14.8
79.05498	12.3
81.03428	2.3
81.07063	100.0
82.07408	1.9
83.04983	3.1
83.08611	5.8
85.06544	4.1
87.04478	2.1
91.05486	7.4
93.07051	33.1
95.04971	57.8
95.08611	62.5
97.06532	6.1
97.10198	2.3
98.11871	1.7
99.08118	2.3
105.07043	21.1
107.08595	20.5
109.06529	8.2
109.10163	19.8
111.08079	11.5
115.61950	1.5
117.06991	2.2
119.08614	11.5
121.06476	1.6
121.10165	21.6
123.08058	3.7
123.11712	34.5
125.09617	2.8
127.11178	4.3
131.08557	7.0
133.10120	6.1
135.11708	8.3
137.09660	2.0
137.13264	55.3
138.13548	1.8
139.11139	5.2
141.12724	3.3
143.08539	2.4
145.10146	8.1
147.11702	24.5
149.09593	2.3
149.13245	6.0
151.11185	3.1
153.12772	4.5
157.10123	7.0
157.72763	1.5
159.11722	16.1
161.13272	9.4
163.14819	2.2
165.12737	12.9
167.10678	3.8
171.11749	3.2
173.13249	5.8
175.14810	2.9
177.16449	2.2
183.13834	2.7
189.16396	2.0
199.14833	2.8
201.14836	2.0
201.16429	7.1
213.16370	5.7
215.17995	2.4
217.19455	2.0
253.43933	1.8
255.87968	1.7
259.36105	1.7
269.22684	3.9
287.23709	18.3
305.24789	17.4
323.18472	4.2
323.25830	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	323.2582
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03945	4.5
55.01867	3.1
55.05518	25.8
57.03432	8.2
57.07071	7.1
59.04992	5.7
67.05510	32.5
69.03435	13.7
69.06725	4.0
69.07073	68.7
69.38998	8.1
69.39427	14.3
71.04991	26.5
71.08637	3.2
76.36617	2.4
79.05504	39.0
79.05950	4.0
79.35945	2.1
81.03417	4.7
81.07063	99.9
83.04974	10.9
83.08620	12.7
85.02893	3.0
85.06550	7.4
91.05481	21.2
93.07050	100.0
95.04990	25.5
95.08612	95.8
97.02893	14.0
97.06546	14.3
97.10186	7.7
99.08094	7.9
105.07031	32.2
107.04973	2.9
107.08592	47.7
109.02846	2.3
109.06540	15.1
109.10158	45.9
111.08110	11.0
111.11732	11.8
117.07016	7.9
119.08590	17.5
121.06493	6.9
121.10153	97.6
122.10470	3.3
123.08057	10.5
123.11718	28.1
125.05959	6.5
125.09634	9.6
129.06937	2.8
131.08580	11.8
133.10117	13.2
135.08041	4.2
135.11707	30.4
137.05966	5.7
137.09608	10.0
137.13263	14.7
139.07556	2.5
139.11194	17.3
145.10133	18.1
147.11710	12.6
149.09607	13.0
149.13303	12.3
151.11154	7.6
153.12730	7.5
155.10583	4.0
157.10194	4.2
159.11676	7.3
161.06006	12.8
161.09637	4.3
161.13255	5.1
163.11226	15.3
165.12744	3.8
167.10704	20.7
171.11687	2.4
173.13284	4.7
181.12193	12.5
189.16385	6.0
197.53938	2.3
199.14822	3.5
201.16389	2.9
202.07909	2.6
203.08597	6.1
213.16463	3.0
227.10822	2.6
231.08046	8.0
248.08302	2.7
259.07541	6.5
260.08298	2.7
263.10641	4.9
269.22665	4.9
276.07935	3.6
287.23679	9.1
291.10263	13.1
292.10730	4.0
305.24762	25.5
323.09335	3.7
323.12717	12.9
323.18491	5.5
323.25827	58.9
324.26379	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	323.2581
Annotation	19-hydroxy-ETA
Peak:m/z	Relative Intensity
55.05503	17.2
57.07059	8.3
67.05505	24.7
69.03407	10.2
69.07069	62.2
71.04996	11.6
71.61515	5.1
79.05490	18.0
81.07063	73.0
83.04987	13.6
83.08604	22.5
91.05491	7.0
93.07043	32.1
95.04951	8.8
95.08607	93.4
96.08969	6.0
97.06539	12.0
97.10181	6.2
98.97588	8.1
99.08104	5.8
105.07042	37.0
107.08591	37.9
109.06527	8.0
109.10159	67.6
110.40261	5.4
116.98583	8.6
117.07065	8.1
119.08595	33.8
121.10179	40.5
123.11713	21.6
124.12090	5.7
126.75025	5.6
131.08575	11.0
133.10141	30.4
134.99672	13.0
135.08073	7.1
135.11707	29.7
137.05994	8.7
137.09599	15.3
137.13223	15.2
142.04283	5.8
143.08582	6.7
145.10141	13.3
147.11670	20.1
149.13266	15.0
151.11192	6.0
151.14816	6.1
157.10117	7.0
157.76747	5.4
159.08011	7.9
159.11711	12.0
161.05948	16.2
161.09669	11.6
161.13266	13.0
161.58650	6.1
163.14868	7.6
173.13246	19.8
175.14789	14.2
177.05406	6.2
177.16394	12.9
179.10667	6.2
187.14882	15.7
189.16330	15.3
191.14236	6.7
191.17955	7.8
199.07611	6.1
201.16393	5.5
203.08510	6.2
203.18054	8.3
213.16409	10.5
227.17915	8.0
231.08096	10.3
243.21043	55.2
244.21577	5.7
248.08342	7.1
259.07697	12.5
259.24274	13.4
260.08017	10.6
261.22031	7.2
263.10565	8.5
269.22672	15.5
277.00858	11.2
287.23648	27.6
291.10181	21.5
305.19077	8.9
305.24713	100.0
323.12646	18.8
323.19809	12.9
323.24493	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94922	5.9
53.03942	8.9
55.01867	11.8
55.05511	34.8
57.03436	7.3
57.07071	9.6
64.40638	6.0
67.05506	68.3
69.03424	14.7
69.07063	25.3
70.13896	28.9
79.05504	46.4
79.64916	5.8
81.07059	96.9
83.04990	30.9
83.08604	11.5
85.06541	10.5
91.05484	67.8
93.07046	69.2
95.04939	16.5
95.08604	49.3
97.06519	7.3
97.10189	9.5
105.07022	58.1
107.04935	11.8
107.08590	61.8
109.06509	18.0
109.10145	46.2
111.04436	7.6
111.08090	11.1
117.07014	11.2
119.08594	25.5
121.06481	17.6
121.10139	21.7
123.04465	10.8
123.08070	14.6
123.11757	16.6
125.09676	6.8
128.06194	7.4
131.08554	18.9
133.06462	9.7
133.10121	100.0
135.08051	8.1
135.11697	19.6
137.05986	9.6
137.09578	8.0
143.08575	12.9
145.10193	16.0
147.08035	15.6
147.11679	14.2
149.09586	17.0
151.11176	66.1
157.10104	11.5
159.11661	7.6
161.06000	8.0
161.09575	29.7
171.11725	5.9
173.13289	9.1
177.09167	9.5
179.10663	95.0
183.13814	22.5
189.12717	6.1
203.17621	6.8
227.76541	6.6
245.18990	12.5
263.20007	11.8
273.18423	49.2
277.21597	8.0
291.19565	74.5
305.21167	12.6
323.12823	14.6
323.18771	10.8
323.22064	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01877	4.4
55.05506	6.6
57.03433	25.7
57.07074	1.9
61.99153	1.3
62.06100	2.4
64.08604	1.3
65.03934	2.4
67.05501	24.7
69.03416	3.6
69.07062	7.5
71.04984	3.6
71.60747	2.3
78.78544	1.5
79.05492	11.2
81.07055	16.4
83.04971	3.1
83.08611	2.5
85.02943	2.1
85.06538	28.7
91.05473	10.2
93.07034	12.1
95.04961	36.7
95.08599	11.5
97.06495	2.2
97.10201	2.4
99.08101	2.0
105.07027	10.3
107.04975	2.8
107.08581	9.1
109.06512	27.6
109.10151	3.2
111.04435	3.2
111.08090	3.8
113.05999	100.0
116.98626	2.4
117.07019	5.0
119.08577	6.9
121.06525	2.6
121.10144	5.5
123.08041	2.4
129.07036	2.3
131.08586	6.0
132.49881	1.5
133.06552	2.0
133.10123	4.2
134.99660	2.4
135.08051	21.5
135.11678	3.9
143.08563	1.9
145.10129	5.3
147.08090	2.9
147.11731	1.8
149.09602	2.5
149.13249	1.6
150.02724	1.4
157.10188	3.7
159.11717	2.7
161.09656	5.3
163.11153	2.4
171.11679	1.8
177.12810	2.2
181.12216	2.0
189.16420	2.0
199.14900	2.1
217.15817	7.4
227.17883	1.8
233.15295	1.6
255.17398	2.1
273.18500	12.8
277.01053	2.8
285.01636	1.5
291.19531	47.7
293.87195	1.5
305.21237	5.5
308.72751	1.6
323.04779	3.0
323.12708	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.01869	16.7
55.05516	35.7
57.03419	8.3
57.07067	3.7
67.05180	4.9
67.05505	75.6
69.03411	12.3
69.07071	30.4
69.15823	3.6
69.37246	34.5
71.04974	7.1
71.08603	3.9
79.05497	53.6
81.03405	4.1
81.07058	100.0
83.04972	54.2
83.08623	17.5
85.06534	8.7
91.05479	66.6
93.07040	64.4
94.06704	3.6
95.04975	17.2
95.08604	36.5
97.06519	12.9
97.10150	9.8
99.08090	3.5
105.07026	53.2
107.04944	14.5
107.08585	69.6
109.02852	6.0
109.06514	15.7
109.10158	63.7
111.04443	13.9
111.08087	17.2
117.07002	10.0
119.08559	29.1
121.06499	14.1
121.10138	26.5
123.08044	4.9
123.11680	18.6
125.09594	4.4
129.06969	9.4
131.08580	20.6
133.06488	20.2
133.10127	86.3
135.08034	11.3
135.11662	13.0
137.05949	5.6
137.09592	12.1
139.07509	8.9
143.08531	9.1
145.10062	15.5
147.08049	9.7
147.11661	10.5
149.09615	18.5
151.11171	86.4
153.08990	4.8
153.12749	5.1
155.08578	4.2
159.08041	9.3
159.11676	11.3
161.05984	3.7
161.09628	16.1
163.11145	7.4
171.11696	11.0
175.11194	7.1
177.07626	3.2
177.09024	18.7
179.10681	9.6
183.13809	38.7
189.12804	4.3
193.12242	7.0
207.13742	6.1
217.12418	4.2
227.18010	6.5
229.14372	9.2
237.16516	3.9
245.19054	19.5
255.17500	7.8
263.20016	16.1
273.18463	53.9
291.10007	7.0
291.19531	64.1
305.21127	28.3
307.95197	3.5
323.12503	4.7
323.22183	46.2
323.25681	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	323.2005
Annotation	12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
Peak:m/z	Relative Intensity
53.03957	0.9
55.01839	0.9
55.05519	4.1
57.07061	2.6
58.17181	0.8
67.05515	4.5
69.03429	1.8
69.06722	1.3
69.07069	20.2
71.08627	1.6
71.57742	1.5
79.05476	2.5
81.07061	8.4
83.04939	1.5
83.08604	3.7
91.05466	2.6
93.07050	4.3
94.78461	1.0
95.04951	2.0
95.08598	5.3
97.10189	1.1
102.04652	1.1
105.07027	2.9
107.08598	4.2
109.06448	1.0
109.10149	2.7
110.64725	0.8
111.11736	1.7
117.07005	1.0
119.08569	2.3
121.10168	1.8
123.04420	1.1
123.11682	1.8
125.13248	1.1
131.08502	1.0
133.10109	1.3
133.46004	0.8
135.11687	1.9
137.05916	1.4
137.13226	2.0
141.06955	1.2
145.06418	1.7
145.10124	1.4
147.11670	2.0
149.13269	1.5
151.11194	1.2
152.06158	0.9
153.06979	6.4
157.06491	0.8
157.10156	1.0
159.08144	1.2
159.11696	1.6
161.09673	1.0
163.11162	1.1
165.07014	6.6
166.07678	1.4
167.08559	3.0
171.08096	0.9
173.05968	15.3
174.06458	0.7
178.07774	12.8
179.08589	9.7
181.06477	8.9
181.10191	1.6
182.07278	1.0
187.07538	8.0
191.08606	2.2
192.09308	4.3
193.06487	3.7
193.10133	9.6
194.07269	3.2
195.08069	4.9
199.07544	6.9
201.09138	1.0
205.10147	2.0
206.07281	17.2
206.10939	1.0
207.08061	16.6
208.08789	1.3
209.09589	3.1
211.07512	11.9
213.09038	2.8
219.11732	3.4
220.08879	1.9
221.09616	14.1
221.13223	3.0
221.15207	0.9
223.07494	2.2
223.11119	3.0
225.09099	10.4
226.09770	0.9
227.10632	1.2
232.08853	1.0
233.09596	4.9
234.10435	1.5
234.13985	6.8
235.11211	4.0
235.14769	1.5
238.09694	0.9
239.10666	7.1
241.12233	1.1
247.11206	10.2
249.12775	11.0
253.12244	2.3
261.12729	1.0
262.13528	30.1
263.14221	8.1
265.08612	1.1
265.12173	1.1
267.13831	9.6
277.00677	1.0
277.19427	8.1
277.21713	0.9
280.14545	2.8
305.18988	55.9
306.19336	3.0
323.05252	1.6
323.20016	100.0
324.20355	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	323.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01870	2.1
55.05512	7.7
56.01917	0.7
57.07074	10.4
59.04993	2.9
63.77679	0.7
65.03940	1.0
67.05503	17.4
69.03428	87.3
69.07066	11.6
71.04994	3.7
71.59364	1.0
79.05494	11.9
81.03422	4.2
81.07056	100.0
82.07400	1.6
83.04972	4.6
83.08616	3.7
85.02905	6.2
85.06555	2.1
91.05472	6.9
93.07043	19.2
95.01347	0.8
95.04970	6.7
95.08605	71.2
96.08948	1.2
97.02892	2.3
97.06528	5.2
97.10157	1.9
98.37149	0.7
99.04463	1.5
99.08090	2.2
101.06004	1.7
105.06374	1.1
105.07035	7.9
107.04972	2.4
107.08588	17.7
109.02896	1.6
109.06533	5.9
109.10155	22.0
111.04420	5.6
111.08087	3.9
113.05970	0.9
113.09661	0.7
115.05502	1.0
117.03391	0.8
117.07020	2.9
119.08590	8.6
121.06532	2.9
121.10143	16.5
123.04445	1.9
123.08080	3.4
123.11724	7.9
125.05988	2.1
125.09637	2.8
127.03977	1.5
127.07571	2.6
127.11224	1.0
129.07068	1.0
131.04887	1.1
131.08586	3.0
133.06502	2.1
133.10126	8.8
135.08060	6.8
135.11702	7.8
137.06006	2.7
137.08530	1.8
137.08817	1.1
137.09621	60.0
137.13252	79.3
138.09969	1.7
138.13580	2.4
139.07545	7.3
139.11151	3.9
143.08543	2.0
145.02811	0.9
145.05026	1.0
145.06549	1.2
145.10141	2.1
147.08092	1.6
147.11684	5.5
149.09586	3.5
149.13245	4.4
151.07564	1.0
151.11188	3.9
151.14786	2.2
153.09152	0.8
153.12747	2.9
157.10153	2.0
159.08063	1.7
159.11707	2.8
161.06039	2.3
161.09683	1.7
161.13326	2.0
163.03882	2.4
163.11197	1.8
163.14832	1.4
165.12755	18.5
166.13094	0.9
167.10756	1.0
167.14314	2.6
171.11722	1.8
173.13235	1.0
175.11191	1.1
175.14731	1.2
177.00851	1.1
177.05513	2.2
177.12773	7.4
178.13278	0.7
181.04961	1.3
185.09718	0.9
189.09198	0.9
189.12825	1.0
189.16481	1.1
195.13811	88.5
196.14127	4.1
199.14883	1.1
201.12808	1.2
203.14378	1.2
205.12212	0.9
215.14346	0.9
219.13890	0.9
227.14410	1.4
233.15331	1.3
245.15352	4.8
248.08243	0.9
249.08875	0.9
263.10742	1.2
263.16440	30.0
264.11249	1.2
264.16656	1.5
273.18552	0.9
287.16443	1.3
287.23636	0.8
291.10178	2.4
305.17383	4.1
305.24722	1.9
308.07068	1.0
308.10596	0.8
323.05582	1.6
323.09207	1.6
323.12558	3.3
323.18539	63.4
323.25952	5.8
324.18994	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	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01853	1.8
55.05493	3.4
56.96566	1.0
57.07063	1.2
63.99274	0.7
65.03919	1.1
67.05506	4.7
69.03420	1.7
69.07068	9.1
69.93079	4.3
71.04977	1.6
78.86749	0.7
79.05505	5.2
80.91435	0.8
81.07060	13.2
83.04975	2.7
83.08607	1.8
88.45792	0.9
90.01813	0.9
91.05486	5.8
93.07037	9.3
95.04956	3.6
95.08602	11.4
97.02895	1.0
97.06541	2.3
99.08090	1.4
103.05445	1.8
105.06384	1.4
105.07037	14.5
107.04993	1.2
107.08605	5.7
109.06509	2.9
109.10152	7.9
111.08063	2.7
115.05442	3.8
119.08570	3.5
121.06493	1.5
121.10149	7.2
122.03634	1.4
123.08078	1.3
123.11708	5.8
127.11173	1.0
131.04909	1.3
131.08560	1.2
133.06483	7.6
133.10126	4.0
135.08096	0.9
135.11667	3.4
137.05977	13.0
137.09627	1.8
137.13277	2.8
138.65198	0.9
139.05400	0.8
139.11191	1.6
141.06905	0.9
145.10123	1.5
146.03616	4.4
147.04431	1.1
147.11671	2.7
149.13211	2.0
151.11250	1.3
157.10114	1.4
159.11646	1.0
161.05984	81.0
161.13243	1.1
162.06329	1.6
165.12775	1.3
167.04890	1.4
167.10693	0.8
171.11720	0.9
175.07469	1.6
178.07671	0.8
186.41241	0.8
189.06987	1.9
191.08543	3.0
192.09299	3.1
199.07614	5.7
202.07773	17.5
203.06670	1.5
203.08569	28.6
204.09225	1.6
205.06508	2.6
205.10046	1.4
207.08139	0.9
213.07149	1.0
218.07387	1.2
219.08044	8.8
220.08842	10.4
230.07268	3.8
231.08057	51.5
232.08736	8.3
233.05960	1.8
233.09538	1.7
235.11108	1.8
237.09090	2.6
241.06496	1.6
243.07811	1.1
247.07552	7.3
248.08342	22.2
249.09045	2.1
258.06747	4.9
259.07547	40.0
260.08310	26.8
260.11053	1.4
261.09036	2.0
262.09940	1.7
263.10703	21.7
265.08661	2.1
273.09055	1.1
275.07031	5.2
276.07788	21.3
277.08481	4.3
279.10397	0.9
280.10944	1.0
287.23761	2.1
290.09418	1.4
291.10159	100.0
292.10678	5.7
292.16055	1.0
293.08078	3.7
295.13290	2.3
305.24612	4.5
307.09567	1.0
308.10464	4.8
323.12778	95.6
323.25720	4.5
324.13104	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.128
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
52.27115	0.6
55.01856	1.8
55.05510	0.6
57.03444	0.6
57.92091	0.5
67.05499	1.8
68.79859	0.5
69.03433	5.0
69.07059	1.1
71.04983	1.2
71.48177	0.7
76.03577	0.5
79.05510	2.8
81.03424	1.1
81.07059	4.1
83.04976	1.5
85.02900	3.5
91.05469	2.4
93.07029	2.2
94.04162	0.6
95.01311	0.9
95.04984	1.0
95.08580	2.2
97.02882	0.6
100.13329	0.6
103.05455	2.4
105.07037	12.9
107.04937	1.2
107.08591	1.3
109.06519	2.4
109.10161	1.3
111.04459	1.4
111.08063	2.1
115.05473	3.5
117.03342	0.7
117.07005	1.6
118.04210	0.9
119.08573	1.8
121.06518	0.6
121.10146	1.3
122.03629	2.7
123.04457	0.9
123.07999	0.9
123.11693	0.9
128.06171	1.1
129.05595	0.7
129.06952	0.6
131.04889	1.7
133.06502	7.0
133.10132	1.1
135.11697	0.6
137.05991	25.4
137.13246	1.1
139.05429	1.2
141.01846	1.9
145.06503	0.6
145.10106	0.9
146.03619	4.3
147.11664	0.6
149.05956	1.7
151.07523	1.0
159.08096	0.9
161.05988	69.3
162.06479	1.7
165.07054	0.9
165.12761	1.5
167.04897	1.3
168.05658	0.9
171.08128	1.0
175.07495	1.6
184.05148	1.7
189.07108	0.7
190.07651	0.7
191.08545	2.9
192.09340	3.3
195.13733	0.9
199.07561	10.7
202.07785	16.0
203.08556	26.3
204.09177	2.2
205.06505	2.9
205.10162	0.7
207.08122	0.9
213.06972	1.6
215.08557	0.8
217.10168	0.9
218.07219	0.8
219.08052	8.8
219.13972	0.8
220.08830	9.6
221.09546	1.5
222.06754	0.7
230.07269	4.7
231.08060	47.2
232.08743	8.4
233.06029	1.3
233.09521	0.9
234.06676	0.8
235.07506	1.0
235.11250	2.1
237.09143	1.2
241.06461	0.8
242.07164	0.8
243.08160	1.0
245.09636	1.7
247.07553	8.2
248.08348	22.8
249.09073	3.4
257.06003	0.8
258.06686	3.8
259.07556	35.1
260.08322	25.0
261.08978	2.2
262.06506	0.7
262.09879	2.3
263.07645	1.2
263.10706	20.1
263.16489	1.1
264.11176	0.9
265.08661	2.0
273.09152	1.6
274.09787	0.9
275.07022	3.8
276.07806	22.3
277.08582	5.7
280.10828	0.7
290.09354	1.4
291.10159	100.0
292.10703	9.5
293.08081	4.7
293.11102	0.9
295.13281	1.9
305.17401	1.0
308.10489	4.6
318.97519	0.6
323.09818	2.6
323.12781	72.4
323.18192	4.2
324.13181	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	323.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
53.63717	0.7
55.01863	2.2
55.05512	3.7
56.96520	0.8
57.03430	1.2
65.03923	1.2
67.05504	8.5
69.03429	28.8
69.07072	4.4
69.68909	5.4
71.01342	1.4
71.04984	3.3
79.05491	7.8
81.03419	12.3
81.07051	13.6
83.04984	8.0
83.08621	2.6
85.02901	2.6
85.06487	1.0
88.18140	0.7
89.29657	0.7
91.05473	7.9
93.07052	8.3
93.23272	0.7
94.04189	0.8
95.04969	5.5
95.08611	8.3
97.02892	6.6
97.06519	4.1
97.10182	1.5
98.20749	1.4
99.04444	2.3
103.05462	2.0
105.06384	1.4
105.07034	17.6
107.04949	2.2
107.08579	4.9
109.02876	5.4
109.06522	5.7
109.10142	4.6
110.03558	1.0
111.04453	3.4
111.08093	2.0
115.05461	4.0
117.07017	3.3
119.08589	5.5
121.02967	0.7
121.06499	1.8
121.10117	2.9
122.03660	2.2
123.04388	1.4
123.08023	2.0
123.11686	1.6
125.09614	1.6
127.03904	3.2
128.06174	0.9
129.06981	1.0
131.04936	1.8
131.08569	3.8
133.06494	7.9
133.10110	3.3
135.08081	2.8
135.11742	2.1
137.05975	17.8
137.09628	1.1
139.05455	0.9
141.01776	0.8
143.08606	1.6
145.02863	0.8
145.06433	1.4
145.10129	2.9
146.03603	4.5
147.04367	0.8
147.08029	1.2
147.11743	2.2
149.05959	1.4
149.09615	1.5
149.13249	1.1
151.07547	7.0
155.08549	1.6
157.10181	1.9
159.08096	2.2
159.11682	2.2
161.05986	63.4
161.13300	1.5
162.06429	2.1
163.11259	1.0
165.07008	1.7
171.08022	1.3
173.09789	0.8
173.11763	1.5
173.13197	1.3
175.07625	1.3
175.11224	1.3
175.14828	1.5
176.75432	0.8
177.05490	1.3
177.12828	0.9
179.14307	0.9
181.06541	1.1
185.13187	1.0
187.14740	1.0
189.12729	0.9
191.08585	2.6
192.09404	1.9
195.11732	0.9
195.13777	1.1
199.07529	8.0
199.14853	1.0
202.07782	15.8
203.08556	26.4
204.09238	1.3
205.06441	2.8
207.08122	0.8
209.15390	1.9
213.07051	0.9
215.08687	1.2
219.08067	7.9
219.13754	1.6
220.08818	10.3
221.06029	0.9
221.09534	1.2
225.14925	1.7
230.07243	4.1
231.08049	43.4
231.74345	0.8
232.08810	8.1
233.09604	1.3
234.06737	0.9
235.11165	1.2
235.16890	1.0
237.09091	1.1
237.14850	8.9
242.07213	0.8
243.08060	1.0
245.09579	2.3
247.07520	8.1
248.08334	20.6
249.09091	2.5
258.06763	4.8
259.07550	36.7
259.17157	1.2
260.08304	26.7
261.08975	0.9
261.35361	0.8
262.09933	1.9
263.10675	18.8
263.16461	1.5
264.11227	1.0
265.08514	2.3
273.09201	1.7
274.09665	1.0
275.06976	3.6
276.07813	18.5
277.08527	4.6
277.17993	1.9
280.10934	1.2
283.06229	1.0
287.12875	1.5
287.16373	2.4
290.09583	1.1
291.10147	100.0
292.10657	7.2
293.08005	3.8
295.13333	1.9
305.17310	4.2
305.24722	0.9
308.10519	4.0
323.04694	3.6
323.12753	70.8
323.18512	40.2
324.13065	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	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01850	0.9
55.05504	1.4
67.05499	1.0
69.03407	0.7
69.07050	2.4
69.07408	0.5
70.12344	2.1
70.12753	1.0
79.05469	1.9
81.07074	3.0
83.04987	1.0
91.05447	2.2
93.07028	1.9
94.04218	0.9
95.04945	0.7
95.08580	2.5
99.04422	0.7
103.05458	2.0
105.07032	10.4
107.04956	0.9
107.08557	1.5
109.06482	2.4
109.10134	1.0
112.35644	0.5
115.05434	2.8
117.03352	0.7
117.06982	0.6
118.04175	1.1
119.04906	0.7
119.08557	1.2
121.06538	0.8
121.10120	1.0
122.03653	1.4
123.04416	0.7
123.08104	0.8
123.11684	1.0
128.06250	1.1
129.06981	0.8
131.04855	1.5
133.06485	7.5
133.10159	1.2
137.05974	23.8
139.05415	1.1
141.06924	0.8
143.04895	0.7
145.12637	0.6
146.03627	5.0
147.04408	1.2
149.05992	1.0
159.11678	1.0
161.05977	68.4
162.06714	3.0
162.57648	0.6
165.06982	1.0
167.04922	1.0
171.08041	1.1
175.07541	1.1
177.05392	0.9
178.07774	1.3
179.08527	0.9
181.06520	0.7
184.05186	1.6
185.05936	0.8
189.06949	1.2
191.08583	2.9
192.09288	2.6
193.10040	0.8
199.07535	11.3
202.07756	14.1
203.08559	29.3
204.09178	2.4
205.06491	3.3
206.07146	1.0
207.08075	1.3
213.07047	1.1
215.08580	1.8
217.06293	0.9
217.09947	0.8
219.06207	0.9
219.08092	10.1
220.08833	11.2
221.05963	0.8
221.09543	0.9
223.10973	0.7
230.07317	4.8
230.52422	0.6
231.08044	43.9
232.08746	7.9
233.05977	1.5
233.09560	1.4
234.06793	1.7
235.07504	1.2
235.11087	1.0
237.09149	1.0
243.08145	1.1
244.08571	0.7
245.09628	1.4
247.07527	7.6
248.05745	1.1
248.08324	21.8
249.05476	0.9
249.09018	2.5
258.06757	3.0
259.07553	33.3
260.08319	24.5
261.08951	2.7
262.09900	2.6
262.13446	0.8
263.10684	19.7
263.13565	0.9
264.11212	0.7
265.08578	2.8
267.13742	1.0
273.05798	0.7
273.09103	1.5
274.09808	0.6
275.07108	5.0
275.10007	1.1
276.07813	18.6
277.00714	0.7
277.08490	4.8
280.10794	0.7
290.09314	1.5
291.10150	100.0
292.10767	8.2
293.08224	2.9
295.09863	0.7
295.13232	2.6
305.18820	1.8
305.24689	1.4
308.10416	3.8
317.65555	0.6
323.05478	1.8
323.12781	70.8
323.19269	2.6
324.09723	0.7
324.12964	3.4
328.47293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98174	1.3
55.01880	3.3
56.96567	1.5
62.88256	1.4
67.05496	1.5
69.03429	4.4
70.06593	2.2
71.60371	1.9
79.05487	2.9
81.03430	2.0
81.07079	2.5
84.08116	2.2
85.02918	7.5
91.05481	10.0
93.07059	1.4
95.04985	2.9
95.08646	1.7
97.02905	3.1
98.97565	1.4
105.03404	4.8
105.07043	5.6
107.04963	25.7
107.08604	2.2
119.04953	26.3
121.02900	2.9
121.06518	1.5
123.04457	3.9
127.03922	1.7
131.04915	10.4
133.02875	14.0
133.06508	15.1
135.04416	3.5
136.07532	2.6
137.05969	2.2
145.02859	2.2
145.06525	3.2
147.04419	100.0
148.04689	2.3
149.06000	8.6
159.04440	4.6
161.02234	17.4
161.05975	21.5
162.05467	2.0
171.04420	6.6
171.05666	2.2
177.05452	7.1
179.03413	6.0
185.04210	17.1
185.05754	2.0
187.03934	9.6
187.90041	1.5
189.05486	32.1
189.07166	1.1
199.03906	12.0
203.05266	4.6
217.04984	49.2
217.07030	2.9
224.50482	1.6
235.06017	2.0
249.05345	2.2
263.05527	44.0
264.05771	1.9
323.07559	28.0
323.11319	3.3
323.15958	2.1
324.10623	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
57.03420	0.2
65.03938	0.4
67.05508	0.2
69.07044	0.3
70.06590	0.2
71.01350	0.3
71.60752	0.2
79.05486	0.4
79.62274	0.2
81.07051	0.4
81.20512	0.2
83.05024	0.2
84.08177	0.2
84.78665	0.2
85.02900	0.6
86.09698	0.3
91.05479	6.5
93.07050	0.3
95.01342	0.5
95.04962	0.3
97.02878	0.5
103.05447	0.2
105.07039	0.7
107.04942	0.6
107.08558	0.2
115.05421	0.5
117.07010	0.7
119.04945	19.3
120.05291	0.3
120.08123	0.3
123.04424	0.6
128.06256	0.4
129.06978	0.3
131.04939	0.5
131.08534	0.2
133.06490	1.3
137.05968	0.8
140.50865	0.2
141.01839	0.5
143.04970	0.2
144.05698	0.2
145.02902	0.2
145.06476	1.4
145.10094	0.3
147.04410	100.0
148.04752	1.7
157.06522	0.5
158.07301	0.2
159.08067	0.3
161.02353	0.3
161.05992	1.4
161.09624	0.2
164.98476	0.5
165.05458	0.4
171.08066	0.8
173.09608	1.2
177.05476	0.6
183.08054	0.4
186.06888	0.2
187.03955	0.2
189.05527	0.8
199.07649	0.2
201.09074	0.8
202.07870	0.2
203.08682	0.3
215.06990	0.2
217.05002	0.4
219.10239	0.4
221.05931	0.2
225.01590	0.2
229.05115	0.2
230.05711	1.2
231.08076	0.7
235.07587	0.3
241.04967	0.2
243.06712	0.2
248.08307	0.5
259.07678	0.3
263.05341	0.4
263.10724	0.5
269.04474	0.2
276.07721	0.3
277.08713	0.3
287.09424	0.2
291.10080	1.6
305.11029	0.2
323.02066	0.2
323.07785	4.3
323.12845	1.3
342.44196	0.2
348.15283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.3
65.03941	0.6
65.26485	0.3
67.17352	0.2
67.56532	0.2
69.03433	0.4
71.00359	0.3
71.00690	0.6
71.05014	0.3
76.59706	0.2
81.07048	0.4
85.02898	0.7
91.05479	6.3
93.07069	0.3
95.01320	0.6
95.04895	0.3
97.02884	0.8
105.07055	0.4
107.05030	0.4
119.04946	17.9
120.05247	0.3
121.33516	0.2
122.06042	0.3
129.52014	0.3
131.04951	0.6
131.08566	0.4
133.06482	0.5
136.07613	0.5
137.05983	0.4
141.01817	1.2
145.06483	0.5
147.04413	100.0
148.04741	2.1
149.09541	0.3
157.06592	0.4
161.05978	0.7
165.05408	0.5
173.09502	0.4
177.05582	0.5
183.08018	0.4
189.03894	0.3
189.05428	0.3
189.83017	0.3
197.95996	0.3
201.09126	0.6
202.06277	0.4
230.05817	1.2
231.08147	0.4
248.08395	0.6
263.10605	0.3
277.07236	0.3
291.10181	0.9
293.08154	0.3
323.07831	4.9
323.12878	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98174	1.3
55.01880	3.3
56.96567	1.5
62.88256	1.4
67.05496	1.5
69.03429	4.4
70.06593	2.2
71.60371	1.9
79.05487	2.9
81.03430	2.0
81.07079	2.5
84.08116	2.2
85.02918	7.5
91.05481	10.0
93.07059	1.4
95.04985	2.9
95.08646	1.7
97.02905	3.1
98.97565	1.4
105.03404	4.8
105.07043	5.6
107.04963	25.7
107.08604	2.2
119.04953	26.3
121.02900	2.9
121.06518	1.5
123.04457	3.9
127.03922	1.7
131.04915	10.4
133.02875	14.0
133.06508	15.1
135.04416	3.5
136.07532	2.6
137.05969	2.2
145.02859	2.2
145.06525	3.2
147.04419	100.0
148.04689	2.3
149.06000	8.6
159.04440	4.6
161.02234	17.4
161.05975	21.5
162.05467	2.0
171.04420	6.6
171.05666	2.2
177.05452	7.1
179.03413	6.0
185.04210	17.1
185.05754	2.0
187.03934	9.6
187.90041	1.5
189.05486	32.1
189.07166	1.1
199.03906	12.0
203.05266	4.6
217.04984	49.2
217.07030	2.9
224.50482	1.6
235.06017	2.0
249.05345	2.2
263.05527	44.0
264.05771	1.9
323.07559	28.0
323.11319	3.3
323.15958	2.1
324.10623	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	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.05513	7.5
57.07069	2.1
59.04983	1.9
60.04507	1.6
62.06088	100.0
67.05499	16.7
69.03431	2.5
69.07073	8.1
70.08524	6.8
70.08924	2.4
72.88321	1.2
79.04791	1.3
79.05493	13.2
81.07056	21.6
83.08607	3.8
85.06551	1.7
91.05493	7.9
93.07037	17.0
94.07365	1.4
95.04960	1.2
95.08614	18.3
96.08931	1.6
97.10169	1.7
99.08099	2.8
105.07018	9.8
107.08593	12.5
109.06513	4.2
109.10145	8.1
111.08070	2.2
117.07005	3.1
118.08653	3.5
119.08586	5.9
121.10139	11.4
123.08051	1.6
123.11707	3.0
131.08563	4.4
133.10129	3.7
135.08054	2.1
135.11644	6.6
136.74899	1.2
137.09538	1.6
137.13226	2.0
145.10141	4.1
147.11702	3.6
149.09645	2.9
149.13295	2.2
159.11702	2.8
161.06036	1.6
161.13272	2.3
163.14874	2.5
171.11549	1.5
173.06041	1.7
173.13231	2.0
174.13626	1.3
177.16420	3.6
178.07584	1.5
181.06586	2.0
193.10057	1.5
197.33710	1.4
206.07236	2.2
207.08032	1.9
208.08662	1.6
221.09653	2.1
231.07637	1.5
243.21133	4.1
250.09537	1.4
252.61525	1.4
261.22083	6.7
262.09482	2.4
262.13538	3.4
277.00809	1.4
290.08881	2.8
291.10080	1.7
291.19565	2.3
304.23062	1.6
304.26486	2.0
305.18768	7.0
305.24594	2.5
322.11566	9.7
322.19000	2.9
322.24371	7.7
322.27567	30.1
323.12506	2.6
323.16321	2.5
323.19907	17.0
323.27997	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11369	0.6
51.31672	0.6
55.05507	3.8
57.07074	2.7
57.45227	0.6
58.06611	0.8
60.04525	1.8
62.06089	100.0
65.95473	0.7
67.05505	14.5
69.07063	5.4
70.70385	2.5
71.04985	0.7
71.08659	0.6
79.05501	10.8
81.07054	18.0
81.07516	1.1
83.08627	2.1
85.06552	1.1
91.05461	4.0
93.07037	13.1
94.64400	0.6
95.04953	2.0
95.08608	13.7
96.08969	0.7
97.06557	1.0
99.08121	0.8
105.07035	3.7
106.07396	0.7
107.08608	8.7
107.78288	0.7
109.10149	6.1
113.09702	1.0
117.07056	1.6
119.08587	3.3
119.81417	0.7
121.10139	7.0
123.11719	2.6
130.08623	0.8
131.08537	3.2
133.10136	3.6
135.11685	5.0
137.06041	0.9
137.13251	0.8
144.10176	1.7
145.10176	2.6
147.11685	2.1
149.09669	0.9
149.13275	2.7
151.14809	0.9
158.11797	0.8
159.11690	2.6
161.06013	0.8
161.13289	2.3
163.14835	2.5
172.13367	1.2
173.06001	1.5
173.13318	2.3
177.16397	3.7
181.06583	1.2
186.14902	1.0
187.14745	0.8
193.06303	0.7
193.10162	1.0
199.07655	0.9
200.16600	0.7
203.08554	1.1
206.07387	1.1
226.17981	0.8
231.08217	0.7
238.18040	0.7
240.19540	1.4
243.20992	5.4
249.12833	0.8
261.22153	6.6
262.13599	2.4
291.10132	2.8
304.26401	3.1
305.18936	3.6
305.24847	2.6
322.19122	0.8
322.27448	25.5
323.12671	3.4
323.19928	5.4
323.27774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01862	2.3
55.05513	5.2
56.05020	2.7
57.03435	8.5
58.69352	0.9
58.82604	0.8
59.05001	1.4
60.04509	0.8
61.02924	5.2
67.05487	4.0
68.05813	1.4
69.03432	16.5
69.07070	7.4
70.06589	6.0
71.04981	4.3
71.59454	1.5
73.02911	3.6
79.05479	3.3
81.03416	8.1
81.07058	11.7
82.07362	1.1
83.04965	2.4
83.08617	2.1
84.07689	1.3
84.08143	15.1
85.02909	41.9
85.06075	1.3
85.06545	19.2
86.09705	21.5
87.04459	2.7
91.03968	2.0
91.05477	6.9
93.07014	3.6
94.07378	1.4
95.04958	3.2
95.08585	3.1
96.05298	1.2
96.08107	2.2
97.02895	16.2
97.06522	4.1
98.09696	12.0
98.97568	1.9
99.04435	3.1
99.07482	1.7
99.08093	25.1
102.09177	25.3
105.07069	4.5
107.04974	1.6
107.08566	3.7
109.02878	5.0
109.06484	2.1
109.10146	3.0
111.04454	0.9
116.10730	38.1
117.06963	1.7
117.11083	1.0
118.06542	1.0
119.04921	1.4
119.08593	4.9
122.06016	1.2
123.08079	1.3
123.11677	1.6
124.07578	7.9
124.11214	1.3
124.12007	1.4
125.09605	1.7
126.12802	1.4
127.03909	10.6
129.05426	1.1
133.06375	1.1
133.10139	1.7
136.07581	13.0
137.05991	1.9
137.07932	1.7
137.28412	0.9
141.90074	0.9
142.12263	12.4
143.10678	1.7
144.13797	3.0
145.02866	0.9
145.04976	7.0
147.04393	7.1
147.08063	7.0
148.04765	3.8
149.09616	1.2
160.07539	1.6
160.13332	100.0
161.05957	1.3
161.13574	2.0
163.06042	1.4
163.11125	1.6
164.07069	20.8
165.07404	4.7
175.11226	1.5
177.05397	1.2
182.08139	18.6
183.08470	2.0
188.15282	1.1
219.08664	1.7
224.14702	1.0
235.07666	1.0
264.14462	10.3
291.10132	1.8
304.23465	1.3
322.10199	2.0
322.18570	48.6
323.05405	2.1
323.09164	4.9
323.12448	2.1
323.15677	1.7
323.18893	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72635	2.8
57.03426	5.6
57.70878	2.6
59.04986	4.2
60.04531	50.9
64.55606	3.2
67.05505	3.7
69.03442	15.2
69.06717	5.9
69.07073	78.0
69.47971	12.0
69.48404	14.8
70.06602	4.3
71.08639	13.6
72.08134	3.1
73.06546	3.5
73.56219	2.7
74.06077	4.1
81.03403	6.6
83.04958	3.0
84.04504	14.0
85.02909	52.1
86.02435	5.4
86.06150	3.0
91.05483	5.0
95.04977	3.6
96.04507	12.6
97.02905	53.6
97.06525	13.6
98.06078	5.9
98.21512	3.7
98.97585	4.0
109.02868	7.3
114.09178	25.1
115.03916	6.9
115.07570	47.3
116.98624	4.2
119.04917	8.6
124.88999	3.1
126.05508	9.7
127.03926	12.5
138.09203	3.8
142.08647	93.7
143.07048	64.4
144.06567	31.1
145.04974	8.9
147.04434	34.0
148.04771	4.0
160.07567	9.6
160.09703	100.0
162.07610	26.8
164.53963	2.8
166.08652	4.3
167.09132	3.4
177.00735	4.2
180.08743	5.4
180.11775	3.1
184.09686	41.5
202.10747	24.0
268.11646	4.4
277.12482	3.7
279.28592	3.1
286.12805	11.0
299.06061	3.8
301.46472	2.8
304.13947	10.0
322.10080	4.0
322.14523	11.7
323.10251	4.5
335.19653	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	322.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31464	1.2
58.41106	1.3
59.70243	1.0
67.27467	1.3
67.76785	1.2
70.06580	1.3
70.69786	1.0
70.93907	1.2
70.94225	2.9
76.82471	1.2
84.83990	1.1
89.69643	1.1
90.23331	1.3
93.63575	1.1
94.93046	1.9
97.87560	1.1
98.97581	1.5
100.70103	1.2
112.12429	1.0
118.08667	4.6
119.01871	1.9
125.66389	1.2
132.02069	1.3
143.01917	1.4
173.02950	2.3
174.03172	2.6
190.01250	14.5
200.04401	1.8
202.02582	3.8
204.04295	1.6
219.03488	3.9
219.69281	1.5
220.03705	9.0
232.03644	2.8
248.89656	3.9
250.04817	2.1
273.13687	1.4
322.05493	100.0
322.97034	1.4
323.05475	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60716	0.6
77.25543	0.4
81.06973	0.4
82.11678	0.4
88.07536	0.5
95.04803	0.4
95.05502	0.3
105.03271	1.5
107.04889	0.3
109.10064	0.4
114.05360	0.4
117.03218	0.4
123.36002	0.5
130.04128	0.4
131.04855	0.9
137.05853	0.6
145.06415	0.4
147.04309	0.7
149.05994	2.7
161.06001	2.2
162.06667	1.3
165.06880	0.5
175.07455	0.4
185.05838	0.4
185.32127	0.4
189.06955	0.8
190.07765	1.9
191.08569	5.3
199.07446	0.7
200.19984	1.1
201.06938	0.8
201.48657	0.4
202.07610	1.5
203.08414	1.6
204.09164	0.6
205.06439	1.1
205.10048	0.6
207.08054	0.6
208.08719	1.2
215.08574	1.2
218.07292	3.9
219.08055	11.2
220.08588	1.2
221.05910	0.5
222.06671	0.8
229.06479	7.1
230.07104	1.5
231.08095	1.8
233.09589	2.6
235.07446	1.6
236.08325	4.4
237.08871	0.6
244.08850	0.6
245.09680	0.6
246.06737	3.3
247.07547	14.5
248.08250	2.6
250.06035	0.5
251.10651	2.4
257.06006	5.5
258.06714	1.8
259.07501	2.8
260.08224	0.6
261.09100	7.4
262.09717	1.8
263.06989	2.1
263.10532	1.0
264.07831	7.3
265.08258	0.7
272.08301	0.9
273.09061	1.7
274.06204	3.5
275.07037	12.2
276.07773	3.7
277.08386	0.8
278.09280	0.8
279.10156	9.8
280.10501	0.5
289.08536	6.3
290.09354	4.8
291.06732	1.0
291.10135	11.3
291.13422	0.7
292.07300	7.9
292.10416	0.6
304.11072	0.5
305.11627	3.0
306.08908	0.5
307.09644	49.7
308.10083	2.3
321.11298	2.1
321.72861	0.7
322.12000	100.0
322.23740	2.0
323.12418	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	321.993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96584	1.2
57.03440	0.3
60.04534	0.4
61.02945	0.7
63.58744	0.3
69.03452	0.3
71.57037	0.4
85.02928	0.4
96.68816	0.3
97.02908	0.3
97.22570	0.3
98.97599	2.3
116.98631	1.9
119.01928	1.6
134.99666	1.7
137.02986	0.3
158.99835	0.4
177.00948	10.4
178.01033	0.8
182.99843	1.6
201.00909	4.7
201.02586	0.4
214.92102	0.3
214.94582	0.4
214.96555	6.6
215.96594	0.5
219.02011	100.0
220.02130	7.0
221.02492	0.5
224.02547	0.4
234.94949	0.6
234.99820	0.6
235.94812	0.5
235.99919	0.3
236.99559	1.1
237.03146	0.5
238.96301	1.1
242.03612	5.6
243.03836	0.6
243.95099	0.4
256.97607	26.3
257.91370	0.3
257.97641	1.8
262.95972	0.5
272.94214	0.3
274.94373	1.6
274.97675	3.1
277.00885	0.5
279.98557	1.5
280.96716	2.1
292.95206	1.2
294.92303	0.4
296.93610	0.5
297.99432	0.4
298.97974	46.2
299.18958	0.3
299.98019	2.4
316.95282	1.2
316.99017	0.8
317.94092	0.6
321.99399	7.4
322.99481	0.5
328.44479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65356	1.7
55.05505	6.4
55.89727	1.7
56.25958	1.6
59.06102	1.9
59.60820	1.7
60.04530	36.3
67.05505	8.3
69.07072	9.1
70.06596	31.1
70.92941	4.9
71.25178	1.5
79.05493	6.9
81.07062	17.9
82.26215	1.5
83.08649	3.2
85.15097	1.8
91.05486	14.6
93.07049	15.7
95.04971	2.6
95.08612	21.7
105.07037	47.4
107.08600	17.2
109.10159	22.1
112.07618	8.9
117.07066	2.1
119.08588	58.6
121.10149	15.3
123.11713	7.3
124.12016	1.9
131.08591	4.6
133.10126	20.1
135.11685	4.3
145.10136	6.9
147.11697	63.2
148.12062	4.1
160.12457	2.9
161.13242	10.4
175.14795	2.8
190.22925	1.9
203.17970	100.0
204.18317	7.2
220.20645	4.6
244.20641	3.8
262.21677	41.5
263.22052	3.5
305.40878	2.1
315.78860	1.8
321.22073	2.6
321.25381	63.2
322.25806	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	321.2423
Annotation	9(R)-HETE
Peak:m/z	Relative Intensity
53.03942	0.3
54.01654	0.2
55.01872	0.8
55.05259	0.4
55.05509	5.1
55.93220	0.3
57.03424	1.2
57.07078	2.2
59.04996	0.5
67.05504	4.8
67.37869	0.2
69.03414	0.8
69.06715	0.4
69.07064	4.8
71.04982	1.3
71.08614	1.2
71.59448	0.4
71.60152	0.3
72.35497	0.3
73.06554	0.4
79.05489	3.2
81.07052	7.3
82.07367	0.3
83.04986	1.7
83.08614	2.4
85.06542	1.8
86.03319	0.3
91.05473	2.1
93.07035	5.3
93.07616	0.3
94.07384	0.3
95.04966	0.8
95.08604	9.0
97.06548	1.5
97.10184	1.8
99.04430	0.5
99.08084	1.0
101.06036	0.4
105.07025	2.6
107.04942	0.9
107.08593	4.8
109.06514	12.9
109.10151	2.9
111.04437	0.3
111.08071	1.5
113.00009	1.5
113.05972	0.3
117.06992	0.8
119.08575	4.1
121.06527	0.7
121.10134	4.2
122.07279	1.0
123.08060	44.0
123.11702	1.1
124.08392	1.3
125.09579	0.5
131.08565	1.3
133.10114	2.1
135.08051	5.0
135.11723	1.7
136.08792	0.5
137.09607	2.5
137.13268	0.6
139.11171	1.0
145.10138	1.4
147.04385	0.5
147.07925	0.3
147.11700	1.2
149.09589	1.3
149.13264	0.8
151.11150	0.5
151.14915	0.4
153.09070	0.3
159.11658	1.6
160.12079	0.3
161.09663	0.4
161.13232	1.2
163.11201	0.7
163.14851	0.5
165.12714	0.7
167.14211	0.4
169.02638	1.4
173.13167	0.3
175.11121	0.5
175.14825	0.3
177.12756	0.9
177.16408	0.4
179.14302	39.9
180.14630	2.0
187.14775	0.8
192.14999	0.4
193.15837	1.2
201.16376	0.6
203.12779	0.5
203.17918	0.6
205.15706	0.6
213.76045	0.3
219.17458	0.5
233.15370	0.6
247.16939	0.8
253.18140	0.3
261.18411	0.6
261.22040	0.5
265.17975	12.0
266.18225	0.6
271.16824	0.3
279.19598	0.6
282.62149	0.3
289.17926	0.8
303.19901	0.5
303.23141	4.1
304.23370	0.3
321.24219	100.0
322.24591	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	321.2426
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.05512	15.3
56.96575	1.8
57.07080	4.8
63.37793	1.7
65.03948	1.6
67.05499	13.1
67.75092	1.7
69.03423	3.0
69.07069	15.9
69.43975	8.6
69.44403	6.2
71.04990	14.1
79.05495	8.1
81.03449	1.8
81.07062	29.5
83.04971	4.1
83.08620	6.9
85.06552	7.6
91.05470	9.1
93.07055	20.2
95.04964	5.0
95.08607	46.4
97.06535	3.6
97.10192	12.7
99.08094	28.0
105.07036	25.7
107.08605	37.1
109.02885	1.8
109.06535	3.4
109.10152	27.0
111.08092	3.3
113.06042	4.6
113.09670	2.4
117.07017	3.9
119.08583	40.4
121.10141	35.9
122.10470	1.8
123.08093	4.1
123.11696	11.1
127.07550	2.4
131.08536	8.1
133.10135	41.5
135.08046	2.6
135.11697	16.6
137.09563	3.8
137.13254	3.4
141.09045	3.3
145.10152	12.0
147.08054	3.2
147.11699	32.0
149.13213	9.0
151.07643	2.2
159.11707	12.5
161.13269	29.9
163.03888	1.8
163.14824	28.3
165.09085	2.3
165.12695	2.2
169.10175	2.3
171.11665	3.3
173.13295	18.2
175.11179	3.5
175.14815	17.4
177.16400	3.9
178.09708	2.0
179.10652	2.5
183.10301	2.1
187.14856	10.0
189.12761	2.7
189.16403	24.9
190.17119	9.4
191.17941	2.3
193.12259	4.7
195.13744	1.8
201.16359	3.6
203.17964	49.9
204.18333	2.3
207.13786	13.4
215.14185	2.5
219.13908	2.9
221.15407	12.8
233.15375	15.6
241.19589	1.8
243.17441	3.1
243.21063	13.6
247.07425	2.5
247.16951	3.8
257.22623	3.1
261.18387	2.6
285.18884	2.4
285.21967	9.0
303.23190	100.0
304.23526	5.9
321.11063	4.6
321.20856	2.0
321.24197	34.7
322.24460	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2427
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
50.62461	1.8
52.37708	2.0
53.03942	4.9
55.01861	2.2
55.05511	27.6
55.71160	2.2
57.03435	3.0
57.07072	6.9
58.83714	1.9
58.89697	1.8
59.05001	4.1
65.03947	4.2
67.05506	36.7
69.03425	15.7
69.07067	37.5
69.64876	4.0
69.65285	11.3
71.04993	7.4
79.05495	29.2
81.03426	9.3
81.07057	100.0
82.07399	2.7
83.04984	14.2
83.08617	9.6
85.02905	2.5
85.06548	11.1
86.09705	2.3
87.05589	6.8
87.09227	4.9
91.05483	24.5
93.07050	65.9
95.04976	29.3
95.08611	58.6
97.02895	21.8
97.06522	9.4
97.10161	5.5
99.04449	2.4
99.08096	4.0
101.05969	2.1
105.07034	33.1
107.04973	11.1
107.08603	44.8
108.08971	2.4
109.02881	3.0
109.06516	20.1
109.09451	4.0
109.10159	52.4
111.04454	3.6
111.08114	10.0
111.11778	2.7
112.07617	14.8
113.06034	2.5
113.09622	3.0
115.05511	2.9
117.03365	2.9
117.07025	5.0
119.04935	12.2
119.08581	30.3
121.06509	6.2
121.09308	3.3
121.10148	43.6
123.08073	7.4
123.11713	34.5
125.05936	4.6
125.09612	5.5
127.11155	3.9
129.06978	3.1
131.04948	2.7
131.08585	11.6
133.10138	19.3
135.08052	8.4
135.11693	19.6
137.02577	2.1
137.09630	18.0
137.13254	9.1
138.05434	2.5
139.03886	2.2
139.11189	13.9
141.09140	2.1
141.12669	2.4
143.08582	4.6
145.02841	7.3
145.10114	15.6
147.04407	40.6
147.08075	3.7
147.11687	17.2
149.09683	11.9
149.13251	15.9
151.11186	8.5
153.09070	2.8
153.12865	4.6
155.10634	2.0
157.10144	6.1
159.10315	2.4
159.11693	14.8
161.09564	3.4
161.13261	8.8
163.11237	6.8
163.14838	6.2
165.05377	2.7
165.09151	3.6
165.12775	7.0
167.10687	8.0
169.10144	2.8
171.11703	4.2
173.13269	6.2
175.11180	3.1
175.14844	6.4
175.29112	2.1
177.05505	11.0
177.12831	3.2
177.16422	4.2
179.10744	2.5
181.12251	3.2
183.11592	2.3
185.13286	5.3
187.14804	5.9
189.16370	3.0
191.14337	4.3
197.13264	3.7
199.14856	3.7
201.16318	3.1
205.15974	2.7
211.14809	4.8
215.17915	2.0
217.15967	3.4
218.07286	3.2
225.16469	2.5
229.15912	2.9
246.06778	3.5
250.84296	2.4
251.02832	1.9
257.22726	2.3
267.20844	4.2
273.22171	2.5
277.21674	2.2
278.09302	3.0
285.22128	12.8
289.08566	4.5
303.23154	33.4
306.08615	2.6
321.09668	21.4
321.20654	4.4
321.24255	53.7
322.12744	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	321.2424
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
55.05507	20.2
56.31532	2.1
57.03431	3.4
57.07057	5.9
67.05502	32.8
69.03434	11.9
69.03759	2.4
69.07073	30.0
69.89731	2.0
69.92016	10.8
71.04977	9.3
78.24361	1.9
79.05494	24.0
79.55283	2.0
81.07058	100.0
82.07401	2.4
83.04982	9.5
83.08607	9.1
85.06562	10.1
87.05595	3.1
87.09217	2.9
91.05484	16.7
93.07049	52.4
95.04968	12.1
95.08607	61.3
97.06526	9.4
97.10164	6.3
97.71319	1.8
99.08078	5.1
105.07030	26.7
107.08588	33.5
109.06522	12.9
109.09452	4.3
109.10151	48.0
111.04466	2.7
111.08092	8.3
117.07011	4.1
119.08589	22.1
119.44959	2.2
121.06478	8.0
121.09312	4.1
121.10146	57.7
123.08073	6.2
123.10824	2.7
123.11713	46.1
125.05955	2.1
125.09633	5.8
127.11129	2.2
129.06987	3.4
131.08562	7.4
133.10132	16.4
135.08043	2.7
135.11688	16.1
137.09590	9.9
137.13254	8.8
139.11220	14.5
139.84697	2.2
141.12743	2.6
143.08557	3.1
145.10141	15.4
147.04414	9.0
147.11661	18.5
149.09627	4.8
149.13261	4.1
151.11192	2.9
153.12738	8.0
155.10699	3.6
157.10094	3.8
159.11667	11.2
161.09647	3.3
161.13246	8.0
163.11169	8.4
163.14783	3.7
165.12746	6.9
167.10651	18.7
169.12314	3.7
173.13252	6.6
175.11101	3.8
175.14830	4.3
177.12694	4.7
181.12196	5.0
185.13245	4.9
187.14789	6.3
189.12808	2.7
191.14301	3.4
201.16432	3.1
211.14771	5.7
257.22549	3.6
267.21130	5.4
277.21399	3.6
285.22171	10.0
303.23233	32.2
304.23669	4.7
306.19000	1.9
321.09552	2.0
321.24237	58.9
322.24570	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	321.2423
Annotation	16R-HETE
Peak:m/z	Relative Intensity
55.05508	26.3
57.07055	7.5
58.49192	6.1
62.52021	5.7
65.38449	4.9
66.67924	5.2
66.94711	5.0
67.05208	5.7
67.05511	51.8
69.03429	6.4
69.07066	55.5
70.72443	4.9
70.99288	13.9
71.04983	13.9
73.68305	4.9
79.05495	27.1
81.07056	83.3
83.04945	7.7
83.08603	16.4
85.06534	21.9
86.50224	6.0
91.05486	33.2
93.07037	55.0
95.04960	12.2
95.08612	90.5
97.06528	65.0
97.10126	8.7
99.08068	11.0
105.07031	60.4
107.08587	100.0
109.06512	15.6
109.10149	72.0
111.08073	13.1
117.06969	11.8
119.08569	72.6
121.06484	7.6
121.10146	75.3
123.08042	18.6
123.11694	28.2
125.09624	12.7
131.08557	23.4
133.10139	65.2
135.08061	48.4
135.11702	50.0
137.09596	12.6
137.13245	7.1
143.08560	8.7
145.10132	35.6
147.11682	42.2
149.09599	10.6
149.13245	17.2
151.11192	14.6
157.10107	17.1
159.11697	44.8
161.13277	41.6
163.11211	15.0
163.14919	7.4
171.11671	22.0
173.13258	32.0
175.11188	16.3
175.14836	16.0
177.12737	18.8
177.16339	15.1
183.11641	7.3
185.13261	9.8
187.14781	33.4
189.12715	9.5
189.16396	21.6
197.13193	13.5
199.14751	6.8
201.16377	26.3
203.14229	7.4
205.15891	18.2
205.72865	6.0
207.17482	8.5
211.14763	10.2
213.16507	6.5
215.17908	12.8
219.17484	6.7
227.17883	6.2
229.15945	6.2
237.09088	13.6
241.19557	10.7
257.22641	24.8
267.21063	16.5
275.23694	18.0
285.22220	37.5
303.23111	41.3
321.18353	21.0
321.24185	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	20-HETE
Peak:m/z	Relative Intensity
50.59244	3.5
53.03947	3.8
55.05517	22.0
57.03432	10.6
57.07066	7.6
67.05507	62.7
69.03439	6.5
69.07075	36.1
70.64130	13.2
71.04994	9.2
79.05498	34.5
81.07061	100.0
83.04979	7.1
83.08616	12.6
85.06596	4.2
91.05489	27.8
93.07049	59.1
95.04976	16.5
95.08611	68.3
97.10152	7.5
99.08071	6.6
105.07030	30.8
107.08585	48.5
109.02867	4.2
109.06529	9.3
109.10159	51.7
111.08082	5.4
117.07029	8.5
118.08680	4.9
119.08588	32.8
121.06484	6.6
121.10137	36.7
122.50936	5.0
123.08065	6.1
123.11727	32.1
125.09583	5.5
131.08574	12.3
133.10150	26.2
135.11684	27.6
137.09595	9.3
139.11124	5.4
140.03770	13.5
145.10130	21.4
147.04413	12.2
147.11694	23.1
149.09622	5.7
149.13257	9.1
151.11221	5.1
159.11658	10.0
161.09648	21.7
161.13318	6.3
163.11153	5.9
163.14838	5.4
165.09065	4.8
173.13298	7.6
175.14870	7.0
185.13333	5.5
189.16406	4.4
191.10687	5.7
201.16362	6.0
203.18004	6.0
215.17957	5.1
217.15887	4.2
229.19463	6.0
285.22119	7.6
290.08987	5.5
290.69897	4.4
303.23236	27.0
321.11191	17.6
321.24277	87.0
322.24442	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	321.2425
Annotation	20-HETE
Peak:m/z	Relative Intensity
55.05515	4.1
57.03417	0.5
57.07061	1.7
59.04987	0.8
60.41371	0.5
61.17489	0.4
67.05508	6.2
69.03423	0.9
69.07066	4.0
70.31286	1.4
71.05004	2.9
79.05494	3.5
81.03382	0.4
81.07062	10.8
83.04974	1.1
83.08640	3.0
85.06528	1.9
91.05479	1.8
93.07043	10.2
94.07365	0.6
95.04965	3.5
95.08611	17.1
97.02902	0.7
97.06514	1.6
97.10170	1.6
97.92130	0.5
99.04401	0.6
99.08074	0.6
105.07034	4.1
107.04961	0.6
107.08601	13.1
109.06503	1.1
109.10162	12.1
110.10490	0.8
111.08096	0.8
113.09644	0.7
117.07020	0.7
119.08584	4.1
121.06537	0.8
121.09310	0.9
121.10139	11.2
122.10498	0.6
123.08047	1.1
123.11698	4.8
125.05980	1.3
125.09631	0.8
131.08609	0.9
133.10139	3.2
135.08043	0.7
135.11705	7.9
137.09607	0.9
137.13251	1.3
139.11092	0.8
143.08595	0.8
145.10106	2.0
147.04430	1.0
147.11713	4.1
149.13264	4.8
151.11208	0.7
159.11717	1.9
161.13254	2.1
163.14807	2.1
165.12801	0.7
171.11739	0.5
173.13300	1.0
175.14822	1.0
177.16411	0.6
185.13138	0.5
187.14836	0.7
189.16408	1.3
203.08617	0.7
203.18060	1.1
217.19582	0.5
231.07991	1.4
257.22559	0.7
259.07526	1.0
289.08444	1.5
303.22830	1.6
310.58795	0.6
321.11176	2.2
321.24237	100.0
321.30737	4.1
322.24551	7.6
339.25320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2423
Annotation	5-HETE
Peak:m/z	Relative Intensity
52.72041	1.9
55.05511	16.8
57.02118	2.0
57.07071	4.1
58.00270	2.1
64.86102	2.2
67.05499	15.6
67.77651	1.9
69.07066	15.0
70.84418	4.8
70.84767	2.6
71.04993	13.0
79.05494	7.9
81.07055	22.5
81.72493	1.9
83.08633	9.9
85.06548	8.2
91.05480	9.1
93.07036	18.7
93.58002	1.8
94.07346	2.7
95.04939	3.3
95.08601	41.2
96.08911	3.5
97.10178	13.9
99.08099	20.1
105.07024	21.6
107.08598	31.3
109.10148	29.0
113.05981	4.6
117.07017	1.9
119.08588	40.1
120.08910	2.7
121.10143	35.2
123.08080	3.9
123.11715	9.9
127.07520	2.8
128.04933	1.8
131.08577	6.6
133.10121	40.8
134.24261	2.4
135.11691	11.0
136.12073	2.2
137.09650	3.1
137.13245	2.4
141.09189	2.3
143.08585	2.0
145.10098	9.3
147.11696	39.7
149.13286	8.0
159.11702	8.5
161.13254	32.3
162.13620	2.5
163.14815	22.3
164.69501	2.2
171.11763	2.6
173.13312	17.2
174.13734	2.7
175.11221	2.9
175.14850	12.6
176.15450	2.1
177.16522	3.4
187.14859	6.9
189.12755	3.9
189.16396	18.1
190.17117	11.4
191.17885	6.5
193.12219	4.2
201.16408	3.1
203.17943	46.8
204.18382	3.4
207.13805	15.2
215.14355	2.8
219.13847	2.5
221.15396	14.5
233.15466	15.0
243.17334	2.6
243.21092	10.7
247.16985	2.2
285.22055	6.8
303.23190	100.0
304.23694	6.3
321.24088	42.3
322.24570	3.9
327.83539	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	20-HETE
Peak:m/z	Relative Intensity
55.01876	2.8
55.05512	11.1
57.03442	3.8
57.07059	4.5
67.05502	11.8
69.07057	10.8
69.92823	5.5
69.93253	7.7
71.04985	3.8
71.08601	2.3
79.05515	6.2
81.07069	19.2
83.04987	7.3
83.08600	7.6
85.06541	5.3
91.05470	10.6
93.07059	14.6
95.04978	4.2
95.08624	27.0
97.10164	3.4
99.08060	2.9
105.07034	11.6
107.04940	6.5
107.08622	13.9
109.06548	16.8
109.10143	14.0
111.04426	5.2
111.08067	2.5
117.07024	2.5
119.08610	12.6
121.10141	9.0
123.08076	40.3
123.11696	8.6
131.08586	4.4
133.06438	3.2
133.10156	13.7
135.08086	6.1
135.11728	4.8
137.09631	7.0
145.10149	6.6
147.11676	9.1
149.09605	2.4
149.13266	4.3
157.10083	2.6
159.02840	2.3
159.11679	4.1
159.28532	2.4
161.13269	11.0
163.14845	5.9
170.05844	2.3
173.13289	3.5
175.14738	3.1
177.16496	2.7
177.47928	2.6
179.14322	59.3
187.14824	4.9
189.16438	3.0
193.12326	2.3
201.16376	2.4
203.18037	8.3
205.15921	2.4
207.13803	2.8
233.15404	6.3
243.21138	3.4
257.22699	2.7
261.18515	5.6
265.18011	8.2
271.16788	2.9
275.23666	2.9
289.18045	7.1
303.23260	24.0
321.24265	100.0
322.24585	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	321.2425
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
52.99339	1.4
55.05517	11.5
57.07087	2.2
67.05513	8.6
69.07064	10.1
69.26209	18.0
71.04984	2.5
72.41617	1.5
79.05504	6.1
81.07065	17.6
83.04975	8.1
83.08617	3.6
86.01775	1.3
91.05473	8.0
93.07049	15.3
95.04994	2.3
95.08615	32.0
97.06523	3.8
97.10129	1.9
105.07034	40.9
107.02677	1.6
107.08601	19.4
108.08886	1.7
109.10165	25.3
110.10480	1.6
111.08072	3.3
117.06932	1.6
119.08589	44.9
120.08923	3.1
121.10151	22.6
123.08117	2.7
123.11731	11.1
131.08578	2.5
133.10126	18.1
135.11678	5.5
145.10107	5.0
147.11694	91.1
148.11993	3.8
149.13242	5.8
159.11717	2.8
161.13293	11.1
163.14835	4.2
165.12746	7.0
175.14815	2.9
203.17966	100.0
204.18246	3.8
221.19031	17.3
222.91878	1.7
239.75356	1.5
257.22549	1.8
303.23203	11.6
321.24265	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	321.2422
Annotation	17-HETE
Peak:m/z	Relative Intensity
50.09414	1.8
53.03941	1.9
53.83783	1.6
55.05510	20.6
57.07066	2.9
58.31932	1.7
58.53241	1.9
62.06093	28.0
67.05505	16.2
68.65920	1.8
69.03446	1.9
69.07077	16.6
69.38129	11.1
69.38544	6.2
69.54470	2.0
71.04989	15.8
73.06578	2.1
79.05488	11.6
81.07056	28.2
83.04970	2.3
83.08596	10.2
85.06525	11.0
91.05463	9.0
93.07040	19.8
95.04940	5.5
95.08607	51.9
97.06545	3.3
97.10184	14.0
99.08086	20.5
105.07037	22.9
107.08598	35.7
109.10154	25.1
113.06030	5.0
119.08582	40.6
120.07312	1.9
121.10144	40.7
123.08081	6.6
123.11731	11.5
127.07521	2.8
131.08540	8.0
133.10130	51.9
134.10774	2.0
135.11690	12.8
141.09067	2.9
143.08607	1.8
145.10120	10.3
147.11685	42.9
149.13254	9.2
159.11742	10.8
161.13260	33.0
163.14830	25.4
173.13271	24.1
175.14827	19.4
177.16446	2.7
179.60928	1.8
181.12343	1.9
185.13197	2.8
187.14815	9.7
189.16406	23.4
190.17140	12.3
191.17833	3.7
193.12277	4.6
201.12793	3.8
201.16411	3.3
203.17963	52.0
204.18288	2.6
205.19467	2.1
207.13776	11.3
219.13831	4.1
221.15314	12.3
233.15430	17.9
243.17433	2.4
243.21066	14.2
246.97870	1.8
247.16960	3.8
251.86455	2.0
285.22205	5.3
303.23181	100.0
304.23538	8.6
321.24228	32.1
322.27557	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	321.2424
Annotation	9(R)-HETE
Peak:m/z	Relative Intensity
52.37221	0.8
53.03936	1.1
55.05508	10.9
57.07074	2.3
63.21735	0.8
66.00613	0.7
66.04718	0.8
67.05503	8.9
69.07070	8.6
71.05017	1.3
77.69503	0.8
79.05490	4.9
81.07061	15.3
83.04977	7.5
83.08620	3.0
85.06555	1.0
91.05486	11.5
93.07050	14.0
95.04951	2.3
95.08612	27.1
96.08932	1.3
97.06541	3.4
97.10200	1.9
98.21526	2.1
101.06059	1.5
105.07034	42.2
106.07364	2.3
107.07883	1.1
107.08600	19.8
107.09299	1.6
109.06510	1.0
109.10167	24.4
110.10500	1.5
111.08073	2.4
113.06008	1.1
115.54225	0.9
116.29980	0.9
119.08585	41.2
120.08865	1.7
121.10147	16.5
123.11710	12.9
131.08571	1.3
133.10143	19.1
133.11089	1.5
135.11761	4.0
145.10156	2.6
147.04465	1.0
147.11693	96.2
148.12029	3.7
149.13261	4.8
151.11235	1.5
156.89362	0.8
157.10016	0.8
159.11707	1.1
159.87135	1.0
160.12526	0.8
161.13271	11.1
163.14822	1.2
165.12721	5.9
175.14865	4.4
177.16347	1.1
203.17963	100.0
204.18323	5.6
221.19002	16.8
222.19374	1.1
232.52521	0.8
303.23099	2.3
321.24292	21.2
322.24527	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
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
51.41667	1.1
55.05508	7.3
57.07069	3.1
57.56533	1.1
67.05508	9.7
69.07076	8.1
69.92204	7.5
79.05473	5.5
81.07050	18.6
82.67420	1.2
83.04961	2.6
83.08620	4.4
91.05479	11.0
93.07051	10.9
95.04974	1.4
95.08049	2.2
95.08612	28.4
96.08959	1.8
97.06524	2.9
97.10173	1.7
99.08081	1.5
101.06019	11.3
105.07034	32.0
107.08604	22.7
108.08957	1.6
109.10155	23.7
109.91927	1.2
119.08586	57.6
120.08919	2.4
121.10160	20.4
123.08060	1.3
123.11698	7.1
133.10129	16.1
135.11661	5.5
145.10132	4.1
147.11693	60.8
148.12029	3.5
149.13269	2.8
159.11697	2.6
161.13264	11.2
163.14816	7.2
165.12730	2.1
175.14795	2.1
177.16365	7.2
191.17917	1.9
201.16368	1.9
203.17961	100.0
204.18283	4.5
208.66222	1.3
221.18999	18.0
243.10220	2.1
267.47275	1.2
303.22894	3.0
321.24225	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	321.2423
Annotation	16R-HETE
Peak:m/z	Relative Intensity
55.05510	27.7
56.96562	4.7
57.07075	7.7
59.05003	5.3
62.06086	5.2
67.05505	35.1
69.03457	8.8
69.07072	40.0
70.77413	15.2
71.04987	16.5
79.05505	28.7
80.17329	4.9
81.07058	80.7
83.04990	10.5
83.08620	20.1
85.06548	15.1
91.05473	26.3
93.07056	55.1
95.05021	9.3
95.08610	88.9
95.09171	8.1
97.06531	75.0
97.10181	5.9
99.08083	10.8
105.07036	56.2
107.08599	100.0
109.06516	12.1
109.10155	58.2
111.08072	18.6
113.09668	5.4
117.07022	4.7
119.08575	78.4
120.26577	5.3
121.06474	8.3
121.10136	66.6
123.08073	13.3
123.11708	26.0
125.09645	9.7
131.08583	21.9
133.10129	57.6
135.08037	47.8
135.11684	41.9
137.09621	9.6
137.13283	11.3
143.08574	7.9
145.10129	36.2
147.11658	36.0
149.09663	13.3
149.13252	24.2
151.11192	17.9
156.09351	6.3
157.10210	12.6
159.11678	38.7
161.09695	7.2
161.13313	35.2
163.11143	11.2
163.14870	14.9
169.10112	5.2
171.11661	13.4
171.82143	5.2
173.13281	23.2
175.11235	7.6
175.14847	12.8
177.12683	10.3
177.16434	8.4
183.11780	6.5
185.13300	14.0
187.14854	32.3
189.12724	12.5
189.16415	20.4
197.13303	8.2
199.14850	6.2
201.16403	18.4
203.14304	11.7
205.15916	14.4
207.17461	8.6
211.14735	6.1
215.17982	6.2
219.17470	7.4
223.07425	7.2
225.16270	6.2
237.09219	14.2
241.19492	8.1
243.21242	6.8
257.22745	20.5
266.26959	5.4
267.21204	11.5
275.23773	6.7
285.22150	40.3
303.23212	40.3
321.18338	25.5
321.24164	81.7
322.24634	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	321.2423
Annotation	9(R)-HETE
Peak:m/z	Relative Intensity
52.09422	0.4
55.05518	2.7
57.03426	0.5
57.07073	1.3
59.05000	0.6
67.05505	5.3
69.03431	1.0
69.07070	5.7
70.43942	1.7
71.04980	0.7
79.05491	3.4
81.07061	9.1
83.04984	1.3
83.08633	3.3
85.06544	0.5
91.05482	1.8
93.07050	7.8
95.04975	1.9
95.08614	16.1
97.06506	1.0
97.10168	1.8
99.04508	0.5
105.07035	3.4
107.08601	8.7
108.68333	0.5
109.06535	1.3
109.09458	0.7
109.10159	9.5
111.04444	1.1
111.08089	3.0
113.09647	0.4
119.08609	3.6
121.10142	7.0
123.08084	1.1
123.11715	3.2
125.06000	0.5
125.09658	1.1
127.07645	0.5
131.08585	1.1
133.10133	3.1
135.08029	0.9
135.11678	4.5
137.09613	0.9
137.13257	1.2
139.07544	1.2
139.11162	0.7
140.54271	0.5
145.10135	1.8
147.11694	3.7
149.13249	3.8
151.11232	0.5
152.36237	0.5
157.10236	0.5
159.11650	1.0
161.09619	0.6
161.13248	2.7
163.11160	0.7
163.14813	1.2
167.65515	0.4
173.13261	0.9
175.14792	0.9
179.14299	0.5
187.14841	1.1
191.17955	1.4
201.16414	0.5
203.17981	1.7
215.14436	0.6
233.15384	0.7
271.16708	0.6
289.18018	0.8
303.23001	1.2
321.24243	100.0
322.24591	7.8
339.25229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2419
Annotation	20-HETE
Peak:m/z	Relative Intensity
51.86520	1.5
52.45026	1.6
53.03950	1.7
55.05518	12.7
57.07065	7.7
59.05000	1.9
64.79352	1.8
67.05504	21.4
69.03416	7.0
69.07066	29.4
70.07413	2.7
71.59910	2.5
73.06554	2.2
79.05497	6.9
81.07058	31.4
83.04952	2.6
83.08637	11.2
85.06514	3.8
87.04475	3.2
91.05476	7.1
93.07041	17.6
95.04959	3.6
95.08608	53.1
96.08944	2.9
97.06528	8.1
97.10162	8.2
99.08082	3.0
105.07027	14.0
107.08599	29.1
109.06550	4.0
109.10149	42.3
110.10480	2.3
111.08125	1.8
111.11714	2.3
111.28561	1.8
112.42098	1.9
113.06042	2.5
113.09644	1.9
117.06971	2.2
119.08580	29.8
120.08890	2.1
121.06503	5.1
121.10140	27.1
123.08060	8.2
123.11699	17.4
125.09622	5.1
131.08540	5.3
131.25652	1.8
133.10120	22.6
135.08081	7.6
135.11716	13.1
137.09628	14.4
137.13254	16.6
139.11186	2.6
145.10101	10.0
147.08064	2.1
147.11688	20.1
149.09673	3.5
149.13248	13.3
151.11172	6.8
159.11703	12.2
161.09653	3.7
161.13269	15.2
163.11243	6.4
163.14790	10.1
165.09158	3.8
165.12869	2.3
173.13292	7.2
175.11212	6.7
175.14838	6.8
177.09064	2.7
177.12785	7.6
177.16388	4.0
179.10664	3.4
179.14346	4.5
185.13229	2.1
187.11218	2.5
187.14847	11.3
189.12761	2.3
189.16399	7.4
191.14282	3.3
193.12282	7.4
193.15869	2.0
201.10614	2.3
201.16411	4.5
203.14409	3.3
203.17923	4.4
205.12347	2.1
205.15880	4.7
207.13879	2.6
207.17400	4.0
215.17961	2.6
219.17441	2.4
221.15442	5.4
229.15854	3.2
233.15332	3.8
235.17082	2.0
243.21056	3.8
247.16949	16.2
257.22647	15.0
267.20898	2.1
275.19888	1.9
275.23712	6.3
276.23633	1.8
285.22116	12.3
286.22382	1.9
303.23215	100.0
304.23608	6.1
321.24274	72.5
322.24680	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	321.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.6
57.25912	0.6
59.05029	0.7
60.04523	0.6
67.05503	3.3
69.03439	1.8
69.07081	3.0
69.43497	5.9
71.04996	1.8
72.04536	0.8
77.11191	0.6
79.05490	2.7
81.03422	0.7
81.07055	6.7
83.04987	1.0
83.08617	1.0
85.06512	0.7
86.09705	100.0
87.10042	1.5
91.05467	3.5
93.07030	7.7
95.04978	4.8
95.08611	6.4
97.02898	1.3
97.06526	1.5
103.05450	4.1
105.07040	3.7
107.04963	2.2
107.08581	6.5
109.02885	0.8
109.06522	2.6
109.10150	4.1
111.08033	1.3
119.08575	3.6
120.08105	98.0
121.08445	2.3
121.10139	5.2
123.08071	1.1
123.11699	3.7
125.09637	2.3
127.11074	0.7
128.10718	56.9
129.11082	1.2
131.04898	3.1
131.08563	1.2
133.10144	2.4
135.11685	2.4
137.09637	2.5
137.13153	0.7
139.11201	1.8
143.08582	0.7
145.10155	1.9
147.04405	3.4
147.11687	2.1
149.06009	2.1
149.09613	0.9
149.13252	1.2
151.11148	1.1
156.10208	17.1
157.10202	0.7
159.11705	1.6
161.13274	1.3
163.11215	0.9
164.58362	0.6
165.12759	1.0
166.08643	73.6
167.09006	1.4
167.10663	0.9
173.13223	0.8
175.14801	0.8
177.05525	1.2
177.12659	0.9
187.14828	0.9
199.14796	1.1
201.16461	0.8
205.15993	1.1
211.14857	0.7
235.07753	0.7
285.21994	0.8
289.08490	1.3
303.23160	4.1
321.10983	1.5
321.24213	4.3
322.25854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1447
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
52.98218	1.1
56.96540	1.5
65.03915	1.2
67.05505	9.4
69.03418	1.7
71.04987	1.2
72.08137	1.0
76.33979	1.1
79.05486	2.9
81.07065	2.0
85.02881	3.4
91.05467	2.2
92.16763	1.2
93.07072	2.0
94.06566	8.1
94.78404	1.0
95.04967	4.5
95.07374	1.2
95.08570	1.4
97.02900	1.2
97.06518	1.0
101.01542	1.3
103.05534	1.0
107.07313	1.3
108.08131	8.0
110.06041	2.1
110.09670	2.8
119.04943	2.8
120.08084	3.7
122.06021	8.0
123.06764	1.7
127.03932	1.2
131.08499	1.1
134.05930	1.6
136.07547	6.0
137.08372	2.1
138.05504	22.5
138.09114	7.7
139.03848	1.0
141.06866	1.1
143.08627	1.1
144.08041	1.8
145.02789	1.3
145.08707	1.1
146.05963	1.1
146.08408	1.8
146.09567	1.1
147.04411	11.6
148.07538	5.8
156.06551	11.2
156.07722	1.6
158.09619	2.5
159.10307	1.3
166.08643	11.2
168.08012	1.0
169.08919	2.0
172.07684	1.2
173.07083	2.1
174.07878	1.9
174.09201	2.1
177.05455	2.9
181.08870	1.9
182.09680	1.3
183.09140	1.7
184.11203	3.3
186.09148	3.3
189.10237	4.0
194.09662	2.0
195.09154	2.9
196.09908	10.2
196.11198	1.0
197.08417	2.2
197.10649	3.0
198.09239	1.9
198.11073	1.1
200.07039	1.5
201.10150	1.7
202.08649	5.4
202.10872	2.9
202.12506	2.3
203.03505	1.6
203.11833	2.9
205.07782	1.2
206.08409	22.7
209.07086	2.9
209.10832	2.6
210.11490	2.0
211.12314	13.6
212.10719	4.0
212.12534	1.2
214.08614	5.2
215.09491	6.1
217.05212	1.1
220.09979	4.1
221.10741	10.9
223.08623	7.7
224.09413	10.1
225.10156	2.5
226.11072	1.2
227.08171	5.2
227.11906	1.9
229.13312	1.9
230.11798	4.4
232.09694	4.8
237.02600	1.3
237.10268	4.7
238.10986	8.3
239.08038	2.9
239.11783	29.9
240.10190	2.2
240.12260	1.4
241.09819	2.3
243.08774	1.7
244.12097	5.4
252.08951	2.0
254.10544	2.4
255.11272	1.6
257.12875	10.8
258.11264	9.8
262.13214	2.6
267.11288	63.4
268.11572	4.0
272.11649	3.2
275.13879	7.5
276.12305	11.6
285.12338	100.0
286.12613	3.6
290.12604	3.0
303.13379	89.5
304.11252	6.7
321.10327	2.5
321.14426	39.9
322.14838	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0968
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.03938	0.9
54.39302	0.3
55.05505	0.5
56.45213	0.4
60.04508	0.4
65.03932	1.8
67.05500	3.7
69.03429	1.9
70.06586	1.2
71.05006	0.4
71.58862	0.7
72.08152	0.6
73.44136	0.4
79.05492	0.4
81.03392	0.6
81.07045	1.1
83.04990	2.6
84.04506	0.6
85.02881	1.4
86.09724	0.5
91.05479	8.2
93.03412	0.5
93.07050	0.4
95.04971	8.5
95.08577	0.8
97.02896	0.8
98.97585	0.4
105.07025	0.5
109.06517	0.4
111.04454	3.4
117.03393	0.7
119.04943	23.4
119.08593	0.7
120.05274	0.5
120.08096	0.4
121.02899	0.5
122.06003	0.8
123.08037	1.0
124.07587	0.4
133.10156	0.5
136.07603	0.8
139.03897	1.7
140.07130	0.4
141.09102	0.6
145.02820	2.0
147.04410	100.0
148.04752	1.5
150.05547	0.4
165.05486	4.3
177.05467	3.0
182.08119	0.4
183.10202	0.5
257.12860	0.7
275.13602	0.4
285.12299	0.8
301.11707	0.4
303.12778	4.7
321.09711	42.9
321.13800	3.2
322.10071	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01873	0.5
55.05507	1.1
57.07079	0.5
64.11582	0.3
65.03942	1.3
66.80651	0.3
67.05508	3.2
69.03429	1.0
69.07066	1.2
71.04997	1.5
71.43333	0.5
71.43692	0.4
77.19370	0.3
79.05493	1.1
81.03397	0.6
81.07066	4.5
83.04980	1.2
83.08607	0.7
85.02904	1.5
85.06557	0.4
91.05484	13.4
93.07048	2.8
94.06576	0.8
95.04971	5.5
95.08616	2.2
97.02907	0.6
97.06511	1.0
99.04479	0.3
99.08096	0.5
105.07017	1.7
106.53422	0.3
107.04968	0.4
107.08575	1.7
109.02883	0.3
109.06532	2.0
109.10166	2.4
111.04441	1.9
111.08075	1.0
117.07023	0.5
118.97971	0.3
119.04954	26.2
119.08595	1.1
120.05322	0.3
121.02885	0.5
121.06516	0.7
121.10127	1.6
122.06022	2.2
123.11737	1.2
125.09665	0.4
127.11207	0.6
131.08583	1.0
133.10133	0.9
135.08096	0.6
135.11703	0.7
136.07593	5.4
137.09633	0.6
139.03900	1.0
139.11255	0.4
141.12737	0.6
142.07884	0.3
143.08617	0.3
145.06593	0.4
145.10101	1.0
146.06082	0.4
147.04419	100.0
147.11711	1.0
148.04803	1.6
149.09627	0.4
149.13303	0.6
150.05560	0.6
151.11180	0.7
153.09106	0.4
153.12671	0.4
157.10144	0.4
159.11699	0.4
161.09659	0.5
164.07086	8.5
165.05486	2.8
167.07030	0.3
171.11703	0.5
175.11172	0.4
175.14856	0.4
178.96509	0.4
181.08624	0.5
182.08148	6.4
188.07008	0.5
199.14888	0.5
217.07278	0.3
219.06480	0.3
243.11357	0.4
257.12891	0.4
259.14215	0.4
285.12363	0.7
303.09665	0.3
303.13345	1.6
303.23166	1.4
321.09750	3.1
321.14044	1.1
321.17490	0.8
321.24280	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0971
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.03928	0.8
55.01870	0.9
55.05507	1.8
56.96574	0.5
57.03441	0.5
57.07086	0.4
65.03933	1.6
67.05506	5.0
69.03432	2.3
69.07070	2.1
70.06599	0.5
71.04981	1.7
71.58793	0.5
74.82668	0.3
79.05499	2.8
81.03413	1.3
81.07061	6.3
82.33685	0.4
83.04984	1.9
83.08632	0.9
84.08187	0.3
85.02917	2.1
85.06554	0.7
86.09743	0.5
87.00832	0.8
89.71824	0.4
91.05487	38.2
93.07050	3.4
94.06564	1.0
95.04973	6.0
95.08617	4.1
97.02925	1.9
97.06531	1.1
97.10151	0.5
98.92075	0.4
99.04438	0.5
105.04556	0.4
105.07035	3.2
107.04986	0.5
107.08601	3.3
108.08133	0.4
108.97544	0.4
109.02869	1.0
109.06531	1.4
109.10170	4.0
111.04447	1.5
111.08093	1.4
113.05982	0.4
116.98605	0.4
117.07004	2.8
119.04949	25.5
119.08571	2.2
120.05227	0.6
121.02870	0.6
121.06520	0.4
121.10153	3.4
122.06031	14.0
123.04446	0.4
123.08096	0.6
123.11681	1.5
127.03922	0.7
128.06212	1.0
129.07036	2.2
131.08588	1.7
132.63913	0.4
133.06467	0.7
133.10152	1.8
135.08076	0.8
135.11684	1.6
136.07582	14.0
137.09596	0.7
139.03899	1.1
139.11235	0.4
143.08536	1.5
145.06487	1.6
145.10159	1.1
147.04417	100.0
147.11717	1.1
148.04774	1.4
149.09613	0.7
149.13263	0.7
150.05505	8.4
151.11215	0.8
153.06982	0.5
155.04958	0.9
155.10645	0.4
157.10155	0.9
159.11734	1.0
161.13266	0.5
163.11230	0.7
164.07065	0.7
165.05502	2.7
165.12810	0.4
167.10747	0.4
168.06606	3.0
171.08122	1.0
173.06015	1.5
173.13284	0.5
175.07539	0.6
177.05391	0.5
181.06494	0.6
187.14877	0.5
199.07550	1.7
213.16324	0.4
217.08618	1.3
239.20100	0.4
243.11356	1.3
249.18591	0.7
261.12350	0.5
267.19229	0.7
283.91486	0.4
285.12326	1.0
285.22018	0.6
289.08643	0.6
303.09070	0.6
303.12885	1.6
303.23181	1.6
304.11526	0.6
321.09802	6.9
321.14230	1.7
321.17593	0.9
321.24289	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0947
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
56.96553	11.3
66.00188	4.2
84.08142	8.8
85.02913	8.1
94.92991	5.4
98.97577	12.3
101.00873	12.4
115.02387	4.5
116.98623	6.8
119.01935	43.8
119.92530	7.0
125.21760	3.5
131.01889	13.8
133.03467	13.8
137.02980	13.0
143.01933	5.5
145.03528	4.1
149.02946	5.0
155.01927	9.2
157.03493	6.9
158.99637	4.8
161.02962	9.2
168.99773	5.8
173.02971	25.0
175.04515	4.3
177.00745	4.6
185.02950	6.6
187.00890	9.8
189.02534	6.3
191.03996	7.4
201.00703	8.1
201.02441	32.9
204.12256	5.9
213.02428	6.4
215.00357	12.7
219.03510	60.7
221.05078	8.2
229.01897	6.3
231.03496	8.8
233.05090	6.4
247.03070	24.9
249.04570	7.4
265.04022	6.5
289.03915	6.0
321.06241	12.2
321.09485	100.0
322.05450	13.5
322.09195	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	321.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79134	2.2
53.71551	2.1
54.65044	1.9
56.96557	6.6
69.03440	2.3
70.01116	10.7
72.08165	2.3
77.00879	2.1
84.08131	6.8
85.02909	3.8
97.02879	3.8
98.97577	11.8
101.00883	21.1
113.00867	4.4
115.02451	8.7
116.98592	6.0
117.04030	3.0
119.01929	95.7
120.02048	2.5
124.37409	1.8
130.70229	2.1
131.00198	2.6
131.01930	20.7
133.03479	30.2
135.05090	2.7
137.02966	23.3
143.01935	12.4
144.99841	4.1
145.03481	9.3
147.01370	2.1
147.03264	3.6
147.05005	3.4
149.01263	2.6
149.02985	5.3
151.04536	8.0
155.01912	9.0
157.03476	2.8
158.99655	2.7
159.05049	10.5
160.09738	2.9
161.02969	28.6
163.04507	4.6
168.99846	10.3
171.01405	4.1
171.05058	10.0
173.02931	18.8
173.06667	3.6
175.04494	6.2
177.02409	3.9
177.04593	2.8
177.06148	5.4
183.04976	2.8
187.00903	30.1
189.02492	15.1
189.03975	3.0
189.06070	5.2
191.04018	16.0
191.07689	2.7
196.99402	7.4
201.02458	5.8
201.04268	3.6
201.06000	3.5
203.04042	4.7
205.01962	13.5
213.06169	2.8
215.00378	44.6
219.01695	3.0
219.03497	5.7
219.05299	2.3
219.07202	3.9
221.05083	14.2
229.01945	18.6
231.03546	2.5
231.07181	2.5
233.01477	4.1
233.05070	24.9
237.02914	5.9
243.07246	2.1
245.05142	2.5
247.03017	100.0
248.03290	3.9
249.04616	5.7
251.06017	3.0
261.08228	15.6
265.04074	16.2
270.04694	3.5
279.06165	3.8
279.09262	35.3
289.04028	20.4
321.06567	10.8
321.10147	62.5
339.09903	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	10.1
58.99861	2.1
69.03426	4.0
70.06573	2.5
71.58400	2.3
73.64484	1.5
79.41635	1.6
82.99868	2.4
84.08149	8.3
84.96012	1.6
85.02902	5.2
85.07664	3.0
91.02440	3.1
97.02892	3.0
98.97584	9.8
99.33762	1.5
101.00893	23.4
102.09243	2.4
103.74250	1.7
109.03484	2.7
110.97473	1.5
113.00870	3.8
115.02434	8.4
116.98629	3.9
117.04008	1.6
119.01925	100.0
120.02032	3.5
121.01656	3.4
125.49680	1.6
127.03892	3.3
128.98615	3.4
129.03978	3.6
131.01906	17.8
133.03468	33.4
134.99677	2.1
135.03232	2.3
135.05060	2.2
137.02963	26.3
142.03503	4.3
143.01897	7.4
144.99825	4.1
145.03416	8.0
146.99666	2.5
147.01396	1.9
147.05101	2.5
149.01176	2.3
149.02982	5.9
151.04507	7.6
155.01915	2.9
157.03474	3.7
158.99712	2.0
159.05017	3.9
161.02965	20.3
163.02768	1.8
163.04549	2.7
167.61127	1.7
168.99841	12.6
171.01408	4.8
171.05034	3.9
173.02934	13.7
174.13243	1.8
175.04485	4.8
177.00679	6.1
177.02434	5.2
177.04256	2.8
177.05927	1.8
185.02931	1.6
187.00887	41.8
189.02467	19.2
189.04153	2.8
189.06012	3.3
191.02422	2.0
191.04031	19.0
196.99289	7.5
199.00851	1.7
201.00705	2.0
201.02461	5.2
201.06065	2.5
203.04036	2.2
205.01955	14.3
215.00386	42.0
217.01991	4.0
219.01700	9.3
219.03551	7.3
219.07162	2.1
221.05067	5.3
229.01958	16.8
229.11705	1.6
231.03572	3.7
233.01384	5.2
233.05045	22.7
237.02721	7.5
247.03017	74.7
248.03204	3.7
249.04489	4.0
251.06313	2.1
257.14975	2.3
261.02704	3.1
261.08221	5.2
265.04053	12.5
270.04553	4.5
279.03583	3.1
279.06067	2.5
279.09103	9.7
289.04022	14.6
297.06787	2.2
307.05179	3.1
321.06564	18.6
321.10031	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	321.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.3
64.90678	0.5
69.03442	0.6
70.06586	0.9
82.99870	0.6
84.04491	0.7
85.02885	1.1
89.48657	0.6
93.16949	0.5
93.35618	0.6
94.99849	0.6
97.02921	0.9
97.36358	0.5
98.97574	1.9
101.00855	3.9
103.02462	0.6
105.00373	0.6
113.00876	2.4
115.02452	0.8
116.07084	0.6
116.98615	1.1
119.01923	14.4
119.92496	1.5
120.76131	0.5
128.98596	1.1
131.01910	18.8
133.03461	8.1
134.99675	0.7
137.02992	2.6
143.01872	3.3
145.03458	1.7
146.99606	0.8
147.04967	0.9
149.02969	5.3
151.04498	1.2
154.03523	0.8
155.01877	10.7
157.03499	2.5
158.99623	1.9
159.01219	0.6
161.01147	0.8
161.01569	0.8
161.02972	5.6
163.04546	0.7
168.99696	0.6
173.02963	35.0
174.03146	1.4
175.04524	7.6
177.00684	4.2
177.02434	2.5
177.06146	0.7
183.01303	0.7
185.02925	5.8
187.00830	0.8
187.04457	1.0
189.00653	0.6
190.01137	0.8
191.04047	1.9
193.05569	0.9
196.04631	0.9
200.07652	1.0
201.00809	1.2
201.02434	31.1
201.07582	3.0
201.56558	0.5
201.62126	0.6
202.02589	1.3
203.04012	4.4
213.02438	14.3
214.02719	0.7
218.08765	0.6
219.03508	100.0
220.03705	4.8
221.05156	2.7
222.98828	0.8
224.03983	1.3
225.02257	0.7
231.03496	21.4
231.07054	1.2
232.03799	0.9
233.05148	1.1
237.02925	0.5
237.04613	5.7
239.06163	2.5
242.05101	6.3
247.02972	2.0
249.04576	17.2
250.04893	0.9
254.05107	0.7
255.03656	0.6
257.23218	0.6
261.04697	3.4
263.06030	0.8
272.06116	1.6
273.04501	0.6
277.07507	0.7
279.05850	0.6
289.03888	0.8
290.89017	0.6
291.05801	0.9
303.05695	0.8
321.06592	13.2
321.11172	8.1
322.05594	2.6
339.07581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	CAY10410
Peak:m/z	Relative Intensity
55.05518	20.1
56.38504	3.3
57.07077	4.8
62.92978	3.3
62.93362	3.3
67.05506	24.4
69.07065	15.8
69.84958	24.1
79.05492	20.0
81.07064	35.1
83.08628	11.9
91.05488	21.8
93.07049	47.4
95.04964	8.7
95.08617	100.0
96.08972	5.1
97.10190	6.7
97.95845	3.8
105.07034	34.3
107.07901	3.4
107.08591	53.1
108.08936	3.9
109.10164	38.5
110.27177	3.4
111.04462	10.4
111.08083	8.2
112.08454	4.8
113.09676	3.4
117.06995	6.4
119.08582	51.6
121.06528	5.5
121.10149	51.0
123.08079	5.5
123.11706	16.2
125.05962	6.9
129.31085	3.5
131.08563	11.9
133.10159	31.5
135.08067	7.5
135.11708	30.1
143.08521	10.3
145.10121	20.0
147.11703	24.9
149.13289	12.6
151.07513	6.9
157.10135	13.4
159.11713	18.6
161.09647	5.4
161.13281	14.0
163.14835	8.9
171.11707	10.2
173.09509	4.3
173.13280	9.9
175.14830	4.2
179.10664	4.9
185.13243	11.6
187.11206	15.6
187.14787	9.3
189.09000	4.7
189.16487	4.3
193.12285	7.2
199.14983	8.1
201.12761	4.9
201.16443	11.6
203.10562	4.9
203.17946	9.7
205.12286	14.1
213.12672	5.6
213.16521	4.7
217.12207	7.0
219.13821	8.7
227.14328	5.9
231.13818	18.4
241.19412	6.6
245.15384	13.9
255.21010	10.7
259.16818	6.9
265.19446	4.6
283.20541	15.6
301.21631	45.9
319.22519	44.1
322.68399	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	319.2265
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
55.05516	19.3
57.07071	3.5
67.05496	24.2
69.07067	21.9
69.44263	8.1
69.44683	20.3
73.82610	2.7
79.05478	12.2
81.07054	41.5
83.04970	3.1
83.08620	11.0
91.05472	21.7
93.07045	44.6
95.04957	6.2
95.08604	100.0
96.08967	2.6
97.02873	3.2
97.06492	3.4
97.10156	11.9
99.08077	7.1
102.58097	2.9
105.07027	36.4
107.04937	3.3
107.08594	54.4
109.06517	7.0
109.10156	46.6
111.04431	9.8
111.08098	4.2
112.27232	2.9
117.07002	8.2
119.08565	41.6
121.10138	52.4
123.08108	4.9
123.11691	10.7
125.05948	5.5
128.06123	3.4
129.07051	5.0
131.08553	16.5
133.10112	37.4
135.08012	5.7
135.11708	28.6
137.09573	6.2
137.13216	3.4
143.08554	11.5
145.10120	20.2
147.08092	3.2
147.11699	21.5
149.13260	13.7
151.07581	4.3
151.14864	3.2
157.10110	10.7
159.11685	24.5
161.09567	4.3
161.13234	18.9
163.07571	4.1
163.11143	5.2
163.14867	7.5
165.09172	4.9
165.14627	3.2
169.10155	4.6
169.23495	2.7
171.11673	12.2
173.09724	3.4
173.13249	11.3
175.14865	5.2
177.09056	4.0
179.10667	3.1
185.09599	4.9
185.13252	11.1
187.11211	16.6
187.14839	9.6
189.12834	3.7
189.16493	3.2
191.10617	5.7
191.14381	3.2
191.17926	6.6
199.11264	6.6
199.14857	8.8
201.12752	6.7
201.16405	6.2
203.17896	8.5
205.12238	17.2
213.12767	9.7
213.16461	3.2
217.12311	4.7
219.13821	8.1
227.14287	6.7
227.98639	2.8
231.13802	16.0
233.15388	3.4
241.19550	4.2
242.44432	2.7
245.15430	11.7
255.21013	10.3
273.03928	6.1
273.22061	5.2
283.20477	15.6
301.21576	51.4
319.22522	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	319.2268
Annotation	CAY10410
Peak:m/z	Relative Intensity
54.91461	3.0
55.05518	21.2
57.07071	5.4
62.22734	3.1
63.70112	2.7
66.94119	3.1
67.05504	23.5
69.03457	4.5
69.07073	23.2
69.61684	2.6
71.04981	5.9
71.40752	3.4
71.41099	6.3
79.05493	15.8
81.07061	35.6
83.05002	14.6
83.08618	10.4
85.06573	3.2
91.05487	12.9
93.07056	37.8
95.04991	7.7
95.08604	79.8
97.06533	7.7
97.10175	5.8
99.08105	11.0
102.34482	3.1
105.07040	31.4
107.08597	47.5
108.24673	3.0
109.10152	42.2
111.04436	9.7
111.11671	3.7
117.07004	6.3
119.08569	34.3
121.10143	42.7
122.10542	3.6
123.08050	5.8
123.11724	10.7
125.05981	5.5
125.09618	9.1
129.07011	3.6
131.08598	8.8
133.10147	27.5
135.08041	6.4
135.11684	24.7
137.09618	5.9
137.13269	5.5
139.07497	4.9
143.08580	8.6
145.10112	22.8
147.11703	23.3
149.13283	11.3
151.07549	100.0
151.10115	3.0
157.10175	14.7
159.11684	24.5
161.09575	3.4
161.13254	14.8
163.14853	6.6
165.09207	4.3
171.11684	11.8
173.09616	4.4
173.13344	14.5
175.14839	8.4
177.12851	5.0
185.13254	8.6
187.11229	18.4
187.14806	11.1
191.10707	6.3
191.17972	5.4
199.11194	5.4
199.14828	3.5
201.12830	7.0
201.16400	9.8
203.17914	6.3
205.12271	12.9
213.12741	4.5
217.12204	6.1
219.13817	9.2
219.17517	5.4
231.13820	17.0
245.15385	9.7
255.21176	9.4
256.85080	4.0
258.31934	3.3
283.20721	5.9
301.21591	48.5
319.22592	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2267
Annotation	CAY10410
Peak:m/z	Relative Intensity
50.71645	2.5
52.49649	2.2
53.03935	2.6
55.05509	18.4
57.03434	5.5
57.07059	6.7
67.05503	30.5
69.03415	2.6
69.07070	23.0
69.47522	19.4
71.04996	14.2
76.50877	2.2
79.05489	18.2
81.07055	35.0
83.04987	4.7
83.08625	13.3
85.06530	6.1
91.05479	18.8
93.07048	57.0
95.04959	9.6
95.08607	81.7
95.45356	2.2
96.33301	2.1
97.02905	3.0
97.06514	3.9
97.10156	6.2
99.08066	6.7
105.07029	38.8
107.04938	4.7
107.08593	50.9
109.06497	3.0
109.10151	47.1
111.04459	14.2
111.08083	2.7
113.09615	3.1
115.51617	2.0
117.07011	3.9
119.07787	3.5
119.08582	45.1
121.06481	4.7
121.10139	61.7
123.08051	5.0
123.11710	16.5
125.05953	5.4
129.07051	3.1
130.07782	2.2
131.08566	13.6
133.06503	4.2
133.10143	34.5
135.08037	6.1
135.11699	55.1
137.05960	3.3
137.09616	5.3
137.13254	3.4
139.07518	5.2
139.11151	2.4
143.08574	9.6
144.09386	2.4
145.10133	20.7
147.08066	7.6
147.11694	20.3
149.13245	19.4
151.07558	22.2
151.11218	3.9
153.09102	3.3
157.10146	10.7
159.08089	4.2
159.11719	23.3
161.09644	6.5
161.13245	19.4
163.11182	3.0
163.14803	7.1
165.09109	7.1
167.10657	4.2
169.10092	7.7
171.11678	10.4
173.09604	3.4
173.13245	13.3
175.11240	3.8
175.14816	7.0
177.09198	3.9
179.10674	8.0
183.11661	4.1
185.13264	8.0
187.11186	12.0
187.14796	11.5
189.12807	4.5
189.16374	6.1
191.10741	5.2
191.17912	7.9
193.12190	6.0
199.11218	3.4
199.14836	8.4
201.12759	5.6
201.16429	7.1
203.10565	3.6
203.14235	2.8
203.17949	10.1
205.12267	18.9
207.13707	4.0
213.12697	5.9
213.16309	4.5
215.14343	3.4
217.12286	11.5
217.15921	3.6
219.13824	9.6
227.14229	5.0
231.13672	11.0
233.15384	4.1
239.17986	3.8
241.19501	6.3
245.15518	11.1
255.21046	18.7
259.16949	7.6
265.19467	3.0
273.22107	5.1
283.20612	15.5
301.21609	100.0
302.21881	3.8
319.22662	81.1
320.23187	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	319.2268
Annotation	CAY10410
Peak:m/z	Relative Intensity
52.53011	2.6
54.46289	2.5
55.05503	15.4
57.07064	4.4
60.04524	3.0
67.05507	26.5
69.07073	22.9
71.00659	6.9
79.05505	19.1
81.07063	25.7
83.04980	4.4
83.08620	8.1
91.05484	18.6
93.07050	34.3
95.04954	3.5
95.08606	100.0
97.06518	4.1
97.10183	7.8
98.82327	2.8
99.08088	14.1
105.07026	39.2
107.04962	4.2
107.08594	53.1
109.06506	5.0
109.10156	55.9
111.04443	13.6
117.06987	5.8
119.08582	39.8
121.06474	4.6
121.10145	47.6
123.11712	11.8
125.06001	5.0
131.08566	15.7
133.10130	31.1
135.11682	21.3
137.06039	2.7
143.08595	11.0
144.09225	5.1
145.10091	19.1
145.70680	2.9
147.11699	26.8
149.13266	12.1
151.07507	4.8
156.09399	5.1
157.10139	11.6
159.11694	17.3
161.09630	3.2
161.13255	10.6
163.11189	2.9
163.14812	9.1
165.09132	3.7
169.10208	3.3
171.11694	8.1
173.09625	5.9
173.13272	10.7
175.11249	3.4
175.14806	6.9
177.09177	4.6
179.10709	4.1
185.09563	3.3
185.13306	12.8
187.11195	12.9
187.14859	7.7
191.10762	4.7
191.17947	4.7
193.12323	3.5
197.13184	3.9
199.11205	3.5
199.14885	5.5
201.12819	5.7
201.16373	8.1
203.10669	4.6
203.17915	9.0
205.12250	16.2
213.12799	7.7
213.16446	3.5
217.12286	5.6
219.13783	6.0
227.14357	3.1
231.13773	20.3
239.18127	2.9
241.15714	3.4
241.19518	6.8
245.15353	10.0
255.21086	10.1
283.20587	13.4
297.52298	2.6
301.21619	47.2
319.22678	24.3
322.47644	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	319.2269
Annotation	Geranyllinalol-19,9-olide
Peak:m/z	Relative Intensity
55.05511	11.8
65.68248	3.6
67.05519	32.0
69.03456	4.2
69.07076	13.5
70.80827	11.3
70.81194	3.6
71.05014	4.0
79.05500	12.0
81.07063	20.5
83.04996	5.2
83.08606	5.1
85.06565	3.8
91.05490	16.8
93.07054	23.3
95.08619	31.7
97.06632	3.3
99.08102	88.9
101.81976	3.0
103.34389	3.1
105.07043	30.5
107.08595	33.6
109.10173	100.0
110.06998	4.1
111.04455	13.9
111.08083	5.4
113.49828	3.9
117.07060	4.6
119.08624	23.9
121.06549	6.4
121.10158	21.6
123.11728	9.9
125.06017	4.3
125.09723	3.9
125.39164	3.5
128.06178	3.4
129.07098	3.9
131.08589	7.7
133.10158	10.3
135.11676	9.5
139.07532	4.2
144.01434	3.3
145.10155	12.5
147.11697	15.4
149.09692	4.2
149.13342	4.0
157.10118	8.1
159.11722	13.3
161.13293	6.6
165.12733	5.1
171.11786	6.2
173.09584	3.6
173.13307	4.8
175.11295	5.4
185.13284	6.0
187.11275	5.2
193.12323	8.9
195.10262	8.2
201.12766	4.3
207.13895	3.5
211.13405	4.9
211.36940	4.2
211.56393	3.3
219.13756	7.3
227.14320	4.1
273.21942	3.8
283.20676	4.6
293.82980	3.5
301.21637	10.0
306.20609	3.3
319.22757	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	319.2266
Annotation	CAY10410
Peak:m/z	Relative Intensity
53.01543	3.5
55.05510	31.5
57.07069	8.4
59.08091	3.0
62.49351	3.2
64.12727	3.7
65.03934	3.3
67.05500	37.5
69.07054	29.6
69.83814	21.1
71.04978	4.8
79.05489	18.5
81.07055	45.5
82.86758	4.1
83.04947	4.6
83.08615	10.8
91.05469	22.4
91.98786	3.7
93.07037	53.4
95.04964	8.4
95.08602	100.0
97.06498	4.9
97.10165	8.1
98.21482	4.5
105.07022	35.4
107.08591	60.5
109.06479	5.5
109.10136	48.5
111.04402	11.7
111.08047	4.5
117.07021	9.7
119.08569	61.1
121.06514	5.6
121.10121	54.9
123.08029	7.7
123.11691	22.7
131.08554	11.9
133.10115	39.9
135.08031	7.7
135.11684	36.2
137.13245	5.0
139.07521	6.9
142.07767	6.2
143.08559	9.0
145.10136	28.4
147.11673	25.2
149.13226	13.6
151.07475	5.2
151.11137	3.5
157.10100	15.8
159.11652	23.8
161.09525	4.9
161.13275	14.0
163.07387	4.3
163.14822	7.6
165.09055	5.9
169.10031	5.8
171.11678	15.0
173.13240	10.4
175.11197	6.3
175.14726	6.0
177.09050	6.5
179.10612	4.2
185.13239	15.8
187.11171	14.7
187.14845	8.4
191.10683	8.5
193.12355	4.6
199.11043	4.1
199.14835	11.2
201.12726	5.1
201.16327	4.4
203.17903	11.2
205.12228	15.2
207.13841	6.3
213.12881	4.4
213.16331	5.6
217.12254	8.7
219.13782	9.3
227.14313	4.9
231.13748	15.2
241.19476	8.0
245.15373	14.4
255.21019	12.2
283.20532	16.3
292.05695	4.0
301.21606	53.6
319.22693	52.6
319.30453	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	319.2266
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
53.03950	3.8
55.01836	2.6
55.05514	21.0
57.03418	2.2
57.07071	4.5
59.04993	3.9
65.03931	2.3
66.66898	1.7
67.05170	2.6
67.05506	38.2
68.93295	1.6
69.03415	3.2
69.07066	31.0
71.04973	6.5
71.08640	2.0
71.59775	3.6
79.05489	20.0
80.49923	1.6
81.03390	1.6
81.07057	35.7
81.73497	1.7
83.04970	6.8
83.08601	11.7
85.02883	4.5
85.06536	3.0
91.05466	22.5
93.06476	3.1
93.07044	49.5
95.04965	5.5
95.08605	100.0
97.02892	5.3
97.06514	4.8
97.10134	8.2
99.08054	3.9
105.06384	2.9
105.07034	37.8
106.87618	1.9
107.04914	3.5
107.08590	52.8
109.02866	3.9
109.06516	4.4
109.10146	42.9
111.04437	18.0
111.08096	3.7
111.11713	4.0
115.62527	1.8
117.07011	7.9
119.08574	46.8
121.06495	6.0
121.10132	48.3
123.08085	8.3
123.11694	13.9
125.06016	3.3
128.06198	3.0
129.06992	5.1
131.08574	19.5
133.06476	3.2
133.10126	28.3
135.04366	2.4
135.07994	4.1
135.11699	27.2
137.05962	4.0
137.09622	4.9
137.13251	3.4
139.07529	4.4
139.11179	2.8
142.07808	4.3
143.08557	12.3
145.10121	26.2
147.08038	2.6
147.11687	23.7
149.05984	2.4
149.09596	2.7
149.13246	15.0
151.07492	2.4
156.09354	2.5
157.10133	14.2
159.08034	3.0
159.11703	23.6
161.09592	4.7
161.13274	16.4
161.88245	1.6
163.11140	4.5
163.14772	6.7
165.05307	1.8
165.09070	4.5
165.12611	1.9
169.10098	4.6
170.10876	3.0
171.08098	2.6
171.11723	13.6
173.09587	7.3
173.13287	10.5
174.07587	3.5
175.11172	3.0
175.14812	5.3
176.60059	1.6
179.10651	5.7
183.11719	3.7
185.09560	2.5
185.13274	13.6
187.11166	11.8
187.14734	8.8
189.12764	2.1
189.16377	2.6
191.10632	7.9
191.17935	12.5
193.12244	4.3
197.13312	2.7
199.11186	7.0
199.14806	9.2
201.12709	5.8
201.16368	6.4
203.10750	5.2
203.17902	9.9
205.12238	16.4
209.13271	2.5
213.03911	1.9
213.12775	9.2
213.16225	2.6
217.12274	8.0
219.13779	7.5
227.14293	5.9
231.13818	17.7
233.15425	2.7
239.17883	3.4
241.19463	7.3
245.15314	11.0
255.21036	13.3
259.16898	4.2
265.19525	2.4
273.03894	5.1
273.21988	2.8
283.17548	3.1
283.20505	14.8
301.21606	55.1
302.21906	3.7
319.07025	7.9
319.19116	3.0
319.22592	43.7
320.13516	4.1
320.22809	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2267
Annotation	5-Hepe
Peak:m/z	Relative Intensity
55.05520	13.0
59.04987	3.1
67.05510	47.0
69.03432	7.7
69.07072	19.0
69.68820	11.7
69.69251	13.9
71.04997	4.6
79.05500	11.8
81.07062	30.3
83.08615	9.0
85.06558	6.1
91.05472	15.8
93.07047	31.2
95.04981	42.6
95.08607	52.1
95.28928	3.9
97.06531	17.4
97.10197	5.3
105.07035	30.0
107.08599	41.2
109.06552	10.6
109.10165	52.5
111.08109	9.1
113.09581	4.0
113.36273	3.1
117.07027	7.2
119.08587	67.3
119.09361	5.8
121.06532	6.5
121.10146	38.4
123.08083	15.2
123.11701	21.5
125.06060	3.6
131.08589	11.2
133.06471	7.1
133.10144	47.5
135.08046	28.2
135.11682	30.1
137.09612	54.8
137.13292	9.3
143.08560	8.5
145.10123	23.7
145.58549	3.8
147.08020	4.0
147.11729	26.4
149.09618	9.2
149.13284	14.6
151.11191	7.2
157.10126	14.1
158.10857	4.2
159.11714	33.2
160.08821	4.2
161.09621	8.7
161.13252	19.7
162.13609	3.5
163.11176	7.3
163.14854	7.6
165.12683	3.9
171.11754	16.4
173.13268	21.4
175.11240	17.2
175.14841	15.1
177.12773	18.8
185.13306	16.8
187.11310	4.7
187.14839	8.2
189.12772	7.7
189.16393	4.6
189.67923	3.5
191.14410	7.5
199.11130	4.4
199.14854	7.4
201.16408	13.0
203.14368	14.7
203.17842	3.9
205.15915	10.0
211.14743	7.1
213.12781	3.1
213.16432	5.6
215.18071	3.7
217.12193	4.1
223.14830	4.1
227.17854	5.1
229.19629	5.3
231.13855	9.5
241.19559	9.7
245.15443	3.8
245.19112	4.9
245.22803	3.6
255.21141	21.8
259.20691	5.8
265.19574	6.7
273.19022	5.0
273.22086	29.7
283.20569	37.7
301.21622	100.0
319.22650	65.3
320.93350	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	319.2266
Annotation	CAY10410
Peak:m/z	Relative Intensity
55.05498	18.5
67.05519	28.1
69.07061	16.9
69.62115	30.6
72.02111	3.5
73.09111	3.5
74.58968	5.1
78.40608	3.8
79.05463	17.2
81.07068	28.7
83.08619	7.5
91.05476	15.2
93.07037	34.3
95.08049	7.3
95.08608	100.0
97.10163	8.6
105.07014	31.9
107.08598	50.8
109.06561	6.4
109.10150	35.0
111.04450	4.7
117.06974	6.8
119.08586	41.7
121.10111	33.9
123.11719	11.2
125.05988	5.1
129.07062	5.3
131.08583	9.7
133.10136	29.3
135.08008	4.4
135.11693	28.2
143.08508	11.5
145.10162	22.4
147.11656	12.4
149.13272	13.7
149.18562	4.5
157.10117	11.8
159.11694	24.7
161.13248	14.7
169.10252	7.8
170.10962	4.4
171.11668	10.2
173.09581	4.4
173.13277	16.3
175.14786	4.4
177.09004	5.0
183.11827	6.1
185.13220	9.7
187.11177	15.3
187.14854	10.2
191.10561	5.8
191.17969	5.9
199.11098	6.0
199.14868	5.2
201.12750	9.2
201.16383	8.4
203.10670	6.2
203.17892	9.7
205.12187	20.6
213.12750	9.0
217.12173	6.9
227.14291	4.7
231.13838	22.6
241.19519	9.8
245.15347	11.8
254.54036	4.4
255.21124	11.0
259.16989	6.1
283.20526	15.2
301.21671	40.4
319.22693	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	319.2267
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
55.05507	22.2
57.03424	8.2
57.07061	7.5
66.43783	2.0
67.05502	33.9
69.03422	5.9
69.07066	22.4
69.86542	7.2
69.86961	7.2
71.04990	17.4
72.04890	2.5
74.80855	2.3
79.05492	24.7
80.73370	2.5
81.03387	2.3
81.07050	49.7
82.07352	3.0
83.04979	5.9
83.08608	11.6
85.02901	3.8
85.06548	7.8
91.05473	26.7
93.07045	62.4
95.04971	8.5
95.08603	78.5
96.08943	2.4
97.02902	5.1
97.06521	8.6
97.10155	9.9
99.08073	9.4
103.05444	2.9
105.07024	41.1
107.04949	3.8
107.08592	62.0
109.06512	5.8
109.10153	59.6
111.04440	20.9
111.08083	4.8
113.09683	2.9
117.07004	9.2
119.07780	4.4
119.08578	55.5
120.33540	2.6
121.06522	5.0
121.09306	4.2
121.10138	55.7
123.08075	5.5
123.11703	24.5
125.05978	4.3
125.09623	4.1
127.11246	3.2
129.06911	4.5
131.08572	17.9
133.06488	6.8
133.10115	32.2
135.08069	5.6
135.11688	58.3
136.11934	2.8
137.05959	3.0
137.09593	7.4
137.13269	3.5
139.07521	6.3
139.11188	4.6
142.07738	4.1
143.08566	6.1
145.06294	2.5
145.10112	19.7
147.08049	10.0
147.11703	23.1
149.09602	3.8
149.13254	20.5
151.07529	6.7
151.11224	3.0
153.09067	5.1
153.12775	3.9
157.10110	8.8
159.08055	3.1
159.11717	20.2
161.09596	8.8
161.13254	14.0
163.11174	2.9
163.14803	9.6
164.14964	2.6
165.09105	3.8
167.10622	3.8
169.10127	7.3
171.07988	3.4
171.11702	7.3
173.09570	6.9
173.13269	10.0
175.11153	3.9
175.14828	7.9
177.12700	3.1
179.10712	7.1
183.11664	2.8
185.09619	2.5
185.13280	11.0
187.11195	8.5
187.14830	12.5
189.09030	2.6
189.16412	5.4
191.10643	4.4
191.17978	4.5
193.12233	5.8
193.39186	2.6
197.13194	2.9
199.14824	8.3
201.12709	5.9
201.16385	7.7
203.10620	3.7
203.17950	7.7
205.12123	11.0
207.13759	4.0
213.12743	3.5
213.16496	3.5
217.12303	6.7
217.15839	4.1
218.20604	2.5
219.13759	5.8
223.13240	2.9
229.15894	4.0
231.13805	10.9
235.17043	4.1
237.14850	2.9
239.17918	5.7
241.19511	7.2
245.15347	10.6
247.16879	2.8
255.21045	10.9
258.34305	2.5
259.16959	5.8
259.20670	2.9
265.19730	3.3
273.22083	6.0
276.07758	3.7
283.20557	18.4
291.10114	3.9
301.21582	83.2
304.07364	3.3
319.09695	11.6
319.22672	100.0
320.22983	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2267
Annotation	(+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Peak:m/z	Relative Intensity
52.70186	3.3
55.05502	12.3
57.07046	6.1
67.05213	3.7
67.05506	37.2
69.03419	5.9
69.07065	20.5
71.60715	3.8
79.05468	11.1
79.27680	3.6
80.26247	3.5
81.07056	33.6
83.08607	10.0
85.06533	4.3
91.05481	10.4
93.07037	28.9
95.04957	44.9
95.08605	47.7
97.06526	9.7
98.20748	6.0
98.28655	3.7
105.07041	24.5
107.08596	44.1
109.06480	9.0
109.10164	49.0
109.34766	3.2
111.08083	14.6
117.07030	4.2
119.08585	68.4
121.06485	5.1
121.10118	35.1
123.08039	11.4
123.11700	16.8
131.08531	12.2
133.06485	5.4
133.10135	48.9
133.41321	3.3
135.08035	28.7
135.11688	30.5
135.89517	3.6
137.09625	60.0
137.13258	8.0
139.07535	3.7
145.10118	20.5
147.11676	28.6
149.09610	6.6
149.13252	9.9
151.07561	5.3
151.11113	5.9
157.10124	8.7
159.11690	37.0
161.09619	7.6
161.13249	20.6
162.65439	3.8
163.11172	10.9
163.14740	7.0
170.10909	3.7
171.11696	16.7
172.12286	4.5
173.13249	15.5
175.11206	19.0
175.14827	14.6
177.12770	20.3
179.14267	4.1
185.13217	18.6
187.11201	5.0
187.14864	11.0
199.14799	12.2
201.16400	14.7
203.14290	14.8
205.15945	8.7
213.12859	3.7
213.16386	5.7
223.14857	5.0
227.17972	4.8
229.15834	4.5
229.19487	4.7
231.13812	7.4
241.19531	10.0
255.21069	29.9
259.20575	10.4
273.19397	4.8
273.22089	31.1
283.20569	35.9
301.21609	100.0
302.21988	4.6
319.22665	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2266
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
55.05505	12.1
57.07077	4.3
67.05499	34.8
69.07059	16.0
70.65961	2.5
71.08622	3.2
71.57088	2.7
71.85509	2.6
74.73777	2.6
79.05495	19.1
81.07061	30.4
83.04997	5.5
83.08631	9.0
85.06537	4.0
90.42594	2.7
91.05473	16.9
93.07040	25.8
95.04980	8.8
95.08607	34.6
97.06519	4.5
97.10213	4.4
99.08093	58.5
100.40183	2.8
105.07028	35.0
107.08597	51.4
109.06545	4.7
109.10152	100.0
110.10515	3.3
111.04449	7.9
111.08089	5.0
113.09679	5.4
117.07007	6.6
119.04931	2.6
119.08584	34.9
121.06502	6.2
121.10152	18.7
123.08096	4.2
123.11718	12.0
124.07626	3.1
125.09596	4.9
131.08569	10.1
133.06516	3.5
133.10106	21.8
135.08066	4.5
135.11729	14.5
137.13263	6.3
139.07541	4.4
142.07741	3.4
143.08604	4.2
145.10123	17.4
147.08061	6.0
147.11696	19.2
149.09578	3.5
149.13263	5.8
151.07564	5.9
153.09097	2.6
157.10167	11.5
159.08072	2.9
159.11720	22.5
161.09644	2.7
161.13246	7.4
163.11165	3.9
165.12694	4.8
169.10133	2.6
171.11731	8.0
173.13298	9.4
175.11203	3.2
175.78604	3.2
177.09201	3.0
177.63557	2.5
179.10693	2.9
185.13350	3.9
187.14854	6.3
191.10629	3.1
193.12245	9.1
195.10181	3.5
199.14848	3.2
203.14357	3.4
205.12251	3.2
209.11755	5.8
213.16595	2.9
219.13797	4.8
231.13983	3.1
241.19563	3.9
250.24126	2.6
255.21046	4.5
273.22025	5.3
283.20511	5.1
301.21643	16.7
319.22534	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	319.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43021	2.7
53.03942	2.9
55.05508	19.7
56.96563	3.4
57.03425	4.2
57.07070	7.3
59.04989	3.2
62.95311	2.9
67.05500	34.1
69.03414	12.5
69.07073	22.8
69.69056	3.9
69.69466	18.4
71.04969	9.5
79.05489	18.4
81.03433	3.7
81.07054	43.4
83.04970	5.8
83.08613	13.1
85.02898	12.6
85.06535	19.4
85.07623	3.3
91.05479	18.9
93.07050	45.5
95.04966	24.3
95.08613	64.3
96.50741	2.7
97.02906	8.2
97.06519	12.9
97.10165	7.2
98.97563	4.7
99.08091	7.6
103.03933	3.3
103.18259	2.9
105.07029	40.2
107.04965	3.9
107.08596	64.8
108.08960	3.5
109.06516	14.4
109.10151	41.7
109.10838	5.1
110.10471	4.1
111.08108	15.2
111.11778	3.3
117.07037	4.7
119.08589	55.6
121.06480	4.6
121.10152	48.0
123.08077	11.0
123.11696	23.0
125.09621	4.4
127.03922	7.9
131.08582	16.1
133.10135	50.4
135.08051	14.8
135.11671	32.6
137.05949	3.7
137.09618	24.0
137.13254	8.1
143.08569	11.1
145.10147	36.1
147.08018	4.1
147.11668	20.2
149.09590	10.5
149.13243	17.4
151.07561	11.2
151.11191	5.9
153.12762	3.4
155.08653	3.6
156.09340	4.0
157.10103	19.3
159.11696	37.2
161.09636	5.3
161.13232	26.4
163.03911	8.0
163.11191	9.5
163.14804	8.3
165.09010	4.4
165.12781	5.5
171.11693	19.1
173.09657	3.6
173.13295	25.7
175.11198	8.6
175.14792	20.2
177.00726	3.2
177.05453	4.6
177.12799	8.3
177.16382	8.1
179.10806	2.9
179.14279	3.3
183.10185	4.6
183.11693	5.7
185.13284	19.5
187.14835	25.8
188.56392	2.7
189.09102	3.1
189.12642	4.8
189.16367	6.5
191.14230	6.1
197.13385	4.8
199.14821	11.9
200.39345	3.1
201.16441	8.0
203.14302	15.2
205.15843	20.7
209.13258	4.6
211.14928	4.2
213.16420	5.9
215.18091	4.6
217.15819	4.9
223.16899	6.0
227.14502	4.5
227.17938	7.0
229.07248	5.4
229.19659	4.3
231.13747	4.3
239.17990	3.8
241.19499	10.3
245.15414	3.6
245.19142	6.8
245.22629	5.5
255.21138	16.3
259.20599	10.4
261.18805	3.4
265.19550	4.3
268.58731	3.4
273.04004	19.6
273.22134	17.5
280.13055	3.2
283.20602	20.1
291.23151	3.2
298.94290	3.2
301.11954	4.8
301.21637	71.4
302.21878	3.7
319.22662	100.0
320.22906	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	319.2268
Annotation	Geranyllinalol-19,9-olide
Peak:m/z	Relative Intensity
53.03961	3.0
55.05508	17.0
57.07071	4.9
65.03928	2.4
67.05512	32.4
67.73766	2.1
69.03431	2.5
69.07063	20.7
72.90179	2.6
79.05496	18.4
81.07066	26.0
83.04988	3.3
83.08618	8.0
85.06528	4.5
87.66146	1.8
91.05481	19.8
93.07045	27.4
94.95058	1.9
95.04968	6.2
95.08612	34.6
97.02872	3.6
97.06553	4.7
97.10181	2.5
98.06904	2.2
98.21538	4.0
99.08095	68.7
105.07037	31.1
107.08601	44.8
109.06528	4.4
109.10162	100.0
111.04438	8.9
111.08070	3.2
117.07019	7.0
119.08588	31.2
121.06508	6.4
121.10158	23.1
123.04440	1.9
123.08089	4.0
123.11725	12.1
125.06027	3.6
129.06960	2.0
131.08551	10.4
133.06488	3.5
133.10138	19.8
135.08105	3.6
135.11681	10.8
137.06017	2.2
137.09628	3.9
137.13240	6.6
139.07565	5.5
142.07793	2.8
143.08569	9.2
145.10098	16.7
147.08041	2.7
147.11690	17.0
149.09679	5.1
149.13297	5.4
151.07574	6.1
156.10466	2.3
157.10139	11.4
159.11691	16.0
161.13246	5.9
163.14871	2.4
165.09106	2.4
165.12798	1.9
169.10207	3.5
171.11716	7.1
173.13298	12.3
175.11191	4.6
177.09167	2.1
185.13228	4.7
187.11205	4.7
187.14873	3.9
191.10672	2.4
193.12282	8.4
199.14874	2.9
201.12656	3.4
203.17993	3.1
205.12260	5.1
209.11778	6.0
219.13843	6.8
229.19609	2.1
241.19531	2.6
245.15511	2.2
255.21143	2.5
273.22287	3.6
283.20383	2.5
301.21582	10.9
319.22675	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2268
Annotation	CAY10410
Peak:m/z	Relative Intensity
54.77426	2.9
54.81236	2.8
55.05514	17.1
57.07072	4.8
62.41006	2.6
65.08210	2.8
67.05516	28.1
69.07076	16.6
71.30960	6.9
79.05492	12.4
81.07059	27.2
83.04996	3.8
83.08624	5.7
84.84163	2.4
88.07648	4.7
91.05466	14.2
93.07046	39.3
95.04958	6.4
95.08608	100.0
97.06521	4.0
97.10183	7.7
103.47549	3.1
105.07037	36.9
107.08588	40.1
109.06497	4.8
109.10155	37.3
111.04445	7.4
117.07019	5.5
119.08584	35.0
121.10149	44.6
123.11703	12.0
125.06017	6.1
129.07007	5.1
131.08572	9.8
133.10146	21.8
135.08028	5.2
135.11688	20.9
137.09618	5.2
137.13283	5.3
139.07611	3.0
143.08572	7.3
145.10106	18.0
147.08000	3.5
147.11684	17.5
149.13275	13.1
151.07579	3.7
153.09087	3.1
157.10149	11.3
159.11694	17.3
161.09669	4.6
161.13283	16.2
163.11208	5.1
163.14850	6.9
165.09158	2.6
169.10204	5.3
171.11688	10.6
173.09636	5.2
173.13272	10.1
175.14902	6.0
179.10698	4.0
185.09689	3.8
185.13251	9.4
187.11186	12.5
187.14832	4.1
189.12869	3.9
191.10712	7.8
191.17932	4.6
199.11252	4.1
201.12813	7.0
201.16402	7.9
203.17941	10.1
205.12265	20.4
213.12875	5.0
217.12325	6.7
219.13820	7.6
227.14291	4.8
231.13777	10.8
239.17982	4.5
244.55150	3.0
245.15439	9.3
255.21091	9.0
271.28271	3.9
273.22299	4.0
282.31589	2.8
283.20584	12.6
301.21591	44.7
302.22031	2.9
302.92096	3.2
319.22693	21.5
319.30319	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	319.2266
Annotation	CAY10410
Peak:m/z	Relative Intensity
52.00894	4.5
55.05513	17.8
57.03424	3.8
60.04538	4.6
60.41252	4.0
67.05502	23.1
69.07076	21.4
69.88014	24.8
79.05490	15.3
81.07044	37.4
83.04977	29.5
83.08607	8.6
91.05483	18.7
93.07049	32.4
95.04948	13.4
95.08601	69.2
95.09158	5.3
96.75217	4.5
97.10159	6.5
98.20737	5.1
105.07005	23.9
107.08597	50.2
109.06509	11.1
109.10156	34.2
111.04445	7.2
111.08076	5.8
117.07048	7.8
119.08580	40.2
121.06496	6.2
121.10152	39.4
123.08064	21.1
123.11724	17.1
125.09655	4.5
131.08556	13.9
133.10114	33.9
135.08044	52.7
135.11708	27.0
137.05853	3.9
137.09642	8.6
143.08569	9.6
145.10127	20.9
147.11714	25.2
149.13243	10.2
151.11194	4.4
157.10130	12.0
159.11713	18.3
161.09608	7.4
161.13260	14.8
163.11189	13.8
163.14839	8.2
171.11739	11.7
173.13251	17.9
175.11122	4.6
175.14876	10.4
185.13292	10.4
187.11180	8.0
187.14751	10.5
189.12718	14.8
189.16382	5.7
191.10670	4.9
199.14828	7.7
201.12767	6.5
201.16322	8.4
203.14388	10.4
203.18002	8.8
205.12227	9.3
205.15858	22.5
217.12238	6.2
217.15862	3.9
219.13896	6.8
231.13785	8.3
241.19455	10.0
245.15147	4.5
255.21071	10.0
259.20563	78.5
260.20844	4.8
273.22037	21.7
283.20505	14.2
290.58206	4.3
301.21561	98.2
302.22018	6.2
319.22647	100.0
319.30240	19.9
320.22989	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	319.2268
Annotation	CAY10410
Peak:m/z	Relative Intensity
50.18811	3.6
53.03933	4.2
53.99747	4.0
55.05503	29.7
57.03426	3.9
57.07072	9.6
57.87606	4.2
67.05505	40.6
69.07079	24.4
70.87440	13.4
71.04997	21.7
79.05492	24.0
81.07059	46.3
83.04953	5.2
83.08605	13.3
85.06535	10.7
91.05476	24.5
93.07050	74.0
95.05001	4.7
95.08611	100.0
96.79552	4.5
97.02917	7.5
97.10172	8.0
99.08092	8.7
103.05500	4.6
105.07024	45.2
107.04922	6.3
107.08602	77.3
109.06528	6.4
109.10162	56.5
111.04458	25.3
111.08105	7.5
113.09612	4.9
117.07012	6.1
117.49898	3.5
119.08593	57.5
121.06531	7.5
121.10145	68.4
123.08062	4.8
123.11726	25.7
125.06044	6.0
129.07039	6.4
131.08572	15.6
133.06499	5.6
133.10129	40.7
135.08047	8.1
135.11708	65.1
137.06030	4.9
139.07530	8.9
143.08556	13.7
145.10114	27.9
147.08037	13.0
147.11679	26.5
149.13275	24.1
151.07529	22.5
153.09082	6.8
157.10138	11.8
159.11740	25.0
161.09627	6.5
161.13260	21.3
163.14816	9.8
167.32835	4.2
169.10098	7.6
171.11650	13.7
173.09659	7.4
173.13249	15.2
175.14853	9.5
177.09230	4.8
179.10661	13.0
185.13264	12.0
187.11143	19.2
187.14803	9.3
189.12770	5.2
189.16383	5.5
191.10686	6.8
191.17909	8.8
193.12268	5.7
199.11290	9.2
199.14809	12.2
201.12814	5.1
201.16302	7.9
203.10645	4.2
203.17987	12.7
205.12300	19.6
213.12769	4.8
213.16266	4.1
217.12248	10.0
219.13751	12.8
231.13766	16.6
239.18034	7.0
241.19409	8.5
245.15349	18.3
255.20982	11.6
259.17072	4.4
283.20630	21.1
297.68362	3.9
301.21649	98.0
302.21716	5.2
319.22659	99.2
320.23141	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.227
Annotation	Geranyllinalol-19,9-olide
Peak:m/z	Relative Intensity
55.05516	16.1
57.07082	2.3
58.34045	1.6
65.03934	2.6
67.05505	37.7
69.03416	3.2
69.07066	15.0
70.74020	6.6
71.04991	4.0
79.05492	17.7
81.07064	30.0
83.04980	8.5
83.08618	7.5
85.06546	2.3
91.05488	23.4
93.07059	29.5
95.04980	8.6
95.08044	3.1
95.08610	41.0
97.02889	3.5
97.06515	6.8
97.10159	4.7
99.08095	57.1
105.06379	3.2
105.07037	36.5
107.04946	3.2
107.08598	45.5
109.06501	7.1
109.10164	100.0
110.10483	2.2
111.04440	8.1
111.08077	5.3
117.07013	6.0
119.08580	30.1
121.06498	5.0
121.10150	25.2
123.08064	6.2
123.11710	9.3
125.05992	3.3
125.09624	3.1
129.07010	3.6
131.08565	7.3
133.06480	2.6
133.10129	19.5
135.08063	3.3
135.11722	10.2
137.06013	1.8
137.09608	4.7
137.13283	5.3
139.07520	4.4
143.08562	6.2
144.09410	1.8
145.10133	14.9
147.08025	4.0
147.11694	18.2
149.09612	5.4
149.13248	6.8
151.07576	6.0
151.11162	2.6
155.08557	2.0
156.09361	3.2
157.10130	8.9
157.89326	1.7
159.11684	14.1
161.09615	2.9
161.13251	7.1
163.11151	3.4
165.09036	2.9
165.12782	3.9
167.10674	1.7
169.10121	2.3
171.11688	6.4
173.09650	4.4
173.13268	7.5
175.07613	2.4
175.11215	4.9
175.14818	3.5
177.09120	3.6
177.12735	3.1
185.13271	5.4
187.11150	4.3
187.14819	7.3
189.12686	2.5
193.12325	9.9
197.13246	2.4
199.11278	2.6
199.14842	4.4
201.12729	2.3
201.16512	3.9
203.14308	2.1
205.12199	4.3
209.11668	4.7
213.12862	3.1
219.13823	5.3
231.13834	4.0
233.15253	2.5
245.15332	2.0
255.21133	3.9
259.20267	1.8
273.04077	3.6
273.18936	2.6
273.22122	5.7
283.20444	4.9
301.21570	16.3
319.04468	2.4
319.19043	2.9
319.22510	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	319.2267
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
50.43021	2.7
53.03942	2.9
55.05508	19.7
56.96563	3.4
57.03425	4.2
57.07070	7.3
59.04989	3.2
62.95311	2.9
67.05500	34.1
69.03414	12.5
69.07073	22.8
69.69056	3.9
69.69466	18.4
71.04969	9.5
79.05489	18.4
81.03433	3.7
81.07054	43.4
83.04970	5.8
83.08613	13.1
85.02898	12.6
85.06535	19.4
85.07623	3.3
91.05479	18.9
93.07050	45.5
95.04966	24.3
95.08613	64.3
96.50741	2.7
97.02906	8.2
97.06519	12.9
97.10165	7.2
98.97563	4.7
99.08091	7.6
103.03933	3.3
103.18259	2.9
105.07029	40.2
107.04965	3.9
107.08596	64.8
108.08960	3.5
109.06516	14.4
109.10151	41.7
109.10838	5.1
110.10471	4.1
111.08108	15.2
111.11778	3.3
117.07037	4.7
119.08589	55.6
121.06480	4.6
121.10152	48.0
123.08077	11.0
123.11696	23.0
125.09621	4.4
127.03922	7.9
131.08582	16.1
133.10135	50.4
135.08051	14.8
135.11671	32.6
137.05949	3.7
137.09618	24.0
137.13254	8.1
143.08569	11.1
145.10147	36.1
147.08018	4.1
147.11668	20.2
149.09590	10.5
149.13243	17.4
151.07561	11.2
151.11191	5.9
153.12762	3.4
155.08653	3.6
156.09340	4.0
157.10103	19.3
159.11696	37.2
161.09636	5.3
161.13232	26.4
163.03911	8.0
163.11191	9.5
163.14804	8.3
165.09010	4.4
165.12781	5.5
171.11693	19.1
173.09657	3.6
173.13295	25.7
175.11198	8.6
175.14792	20.2
177.00726	3.2
177.05453	4.6
177.12799	8.3
177.16382	8.1
179.10806	2.9
179.14279	3.3
183.10185	4.6
183.11693	5.7
185.13284	19.5
187.14835	25.8
188.56392	2.7
189.09102	3.1
189.12642	4.8
189.16367	6.5
191.14230	6.1
197.13385	4.8
199.14821	11.9
200.39345	3.1
201.16441	8.0
203.14302	15.2
205.15843	20.7
209.13258	4.6
211.14928	4.2
213.16420	5.9
215.18091	4.6
217.15819	4.9
223.16899	6.0
227.14502	4.5
227.17938	7.0
229.07248	5.4
229.19659	4.3
231.13747	4.3
239.17990	3.8
241.19499	10.3
245.15414	3.6
245.19142	6.8
245.22629	5.5
255.21138	16.3
259.20599	10.4
261.18805	3.4
265.19550	4.3
268.58731	3.4
273.04004	19.6
273.22134	17.5
280.13055	3.2
283.20602	20.1
291.23151	3.2
298.94290	3.2
301.11954	4.8
301.21637	71.4
302.21878	3.7
319.22662	100.0
320.22906	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	319.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01874	4.8
55.05510	10.5
56.96555	4.7
57.03439	3.1
61.02920	4.1
67.05511	3.3
69.03432	18.6
69.07073	9.8
69.66792	12.6
70.06593	6.6
71.04991	9.2
72.08136	3.6
79.05475	6.5
81.03395	5.7
81.07056	15.3
82.67898	1.5
83.04972	2.4
83.08601	5.3
84.08146	3.2
85.02910	29.9
85.06527	3.5
86.09711	11.1
87.04457	6.3
87.05585	1.7
87.10069	1.9
91.05474	4.0
93.07047	16.2
95.04955	3.5
95.08598	6.5
97.02899	14.6
97.06538	33.7
98.97594	2.6
99.04472	4.2
99.08064	2.8
102.54632	1.7
105.06989	2.9
107.08562	4.5
109.02870	7.7
111.05568	1.9
111.08094	2.1
112.60195	1.7
116.07044	3.8
116.98636	2.3
119.08538	1.9
120.08082	5.1
121.10135	13.4
126.09116	2.1
127.03914	6.8
130.06561	3.2
132.08122	2.3
135.11705	4.0
136.07578	2.0
139.07524	2.0
139.11188	35.2
139.31747	1.7
145.04950	6.0
157.12247	100.0
157.47656	1.8
159.09245	1.9
163.03905	1.8
175.09621	2.0
177.05440	2.2
181.12242	3.2
187.08554	2.0
188.07048	2.3
243.08966	2.5
259.06271	2.4
260.10355	2.4
273.03986	2.6
277.12918	3.4
301.11691	4.4
302.12711	4.8
319.12949	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	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95584	0.3
53.77185	0.3
55.05523	0.7
67.05534	0.3
68.60031	0.3
69.03430	0.3
69.07092	0.5
70.20790	0.7
70.21202	0.9
71.04987	0.3
72.08161	0.6
81.03432	0.4
81.07062	0.5
81.78593	0.3
83.04988	0.4
85.02921	0.5
85.06509	0.4
86.09704	1.0
88.16252	0.3
91.05523	0.5
93.07049	0.6
95.08606	0.8
99.04482	0.4
107.08591	0.5
109.10172	0.5
119.04948	0.5
119.08630	0.5
121.10156	0.7
145.06470	0.4
145.09990	0.3
147.04431	0.8
147.11722	0.4
157.07596	1.1
157.08742	0.4
159.11490	0.6
160.11755	0.4
160.27170	0.4
160.68559	0.3
170.08357	0.3
171.09213	1.7
174.09186	0.7
182.09779	0.7
183.09198	0.8
184.09949	1.9
185.10841	0.4
193.07620	0.5
194.08426	0.5
197.07076	0.5
198.07906	0.9
199.08603	1.6
199.12325	1.9
200.10716	0.8
203.08180	0.5
209.10721	1.5
210.09314	0.5
210.11470	0.6
211.08740	1.7
211.12286	0.5
212.09450	4.7
213.10269	3.6
225.10173	2.6
226.11023	9.5
227.11783	12.3
228.10260	5.0
228.12271	0.9
229.09837	0.7
240.08708	0.8
241.09778	0.7
245.12903	0.4
255.11316	7.7
256.11694	0.6
257.09387	0.4
258.09973	0.3
270.10001	18.7
271.10733	3.2
272.11569	15.1
273.12323	10.8
283.10791	7.7
284.11200	0.3
301.11841	100.0
302.12173	6.0
305.61136	0.3
307.78973	0.4
319.12891	42.1
320.13208	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	32.8
61.02912	25.3
61.95868	8.0
63.48667	8.0
69.03415	12.9
70.94462	25.9
75.60276	10.1
84.08139	15.8
85.02889	25.9
98.97574	12.2
100.09989	8.6
119.01925	28.9
127.03923	76.8
128.04262	11.5
128.98473	10.9
129.10280	9.0
129.72313	9.2
131.01920	10.9
133.03493	11.6
134.02255	9.6
134.99666	16.8
143.01880	17.7
146.99626	14.7
149.02968	13.0
161.02951	28.5
172.99425	8.5
173.02989	15.3
177.00760	11.8
187.00946	8.8
190.98680	19.1
201.00734	22.5
208.99716	18.2
213.03439	10.0
219.01683	9.4
222.04042	10.8
241.01518	8.4
254.17903	9.3
319.07660	99.5
319.10190	100.0
319.15637	13.7
319.19360	10.2
319.74667	9.3
324.76074	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	319.079
Annotation	Pibocin A
Peak:m/z	Relative Intensity
50.14672	4.4
53.72752	4.9
56.96568	26.2
57.20012	4.9
61.02933	7.4
69.03433	5.9
69.69874	31.3
70.06580	9.9
72.08147	13.4
73.02909	5.0
74.06075	6.5
84.04495	6.4
84.08144	16.3
85.02908	12.0
86.09718	14.9
87.10033	5.9
97.02899	7.1
98.97610	21.5
101.00858	4.8
106.44438	4.4
114.13625	4.8
116.98653	23.4
119.01836	8.6
121.01717	5.4
127.03911	37.1
128.98607	8.9
134.99721	9.7
145.03525	7.8
146.99716	6.2
147.03149	5.4
155.01912	5.5
158.99666	9.5
160.02933	7.0
161.02997	10.8
171.05150	4.5
173.01221	6.6
173.02916	7.7
175.04449	4.7
177.00800	10.5
182.65106	4.8
189.00702	9.2
189.02429	5.4
195.01787	4.7
201.00739	11.8
213.03453	13.0
218.01068	4.8
219.01764	7.0
221.04874	9.8
237.02888	6.2
277.02347	10.3
279.03793	7.9
295.03409	8.9
297.04898	6.4
319.04514	11.4
319.07553	100.0
319.15701	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	319.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37440	1.2
55.01848	1.8
56.96568	9.2
57.03432	1.7
58.99854	3.9
61.02921	1.9
67.05495	2.2
67.30125	1.2
69.03422	5.7
69.07080	2.4
70.02936	7.6
70.99875	1.5
71.19682	1.4
73.02908	1.5
77.00892	4.0
78.12348	1.4
81.03408	2.4
83.06111	1.6
84.08142	2.3
85.02908	6.6
86.09697	3.2
87.04469	1.6
87.10044	2.0
91.05525	1.7
93.07041	2.7
95.08584	2.6
96.06384	1.5
97.02870	2.8
98.06069	1.5
98.97593	5.5
101.00862	10.2
105.07041	3.4
109.10133	1.7
111.04480	1.5
115.02411	3.6
116.98614	4.3
119.01922	54.4
119.08574	1.8
119.37955	1.6
120.02017	1.8
121.01681	1.4
127.03912	17.0
128.04269	1.5
128.98634	1.6
129.10219	1.6
131.00209	1.5
131.01955	4.0
133.01768	1.5
133.03479	33.0
133.10147	1.7
134.99605	2.4
137.02971	18.3
138.02446	1.4
138.05489	4.1
138.98814	1.7
139.05879	3.6
142.03485	2.5
143.01904	2.7
145.03456	3.8
146.99663	2.1
147.04242	2.6
147.58121	1.5
149.02950	4.3
151.04535	18.4
152.05695	1.9
155.01918	1.7
156.06599	1.9
156.88533	1.4
156.99867	2.6
157.04738	4.0
157.06906	2.1
158.78482	1.3
158.99677	2.9
161.02982	9.0
163.04568	2.9
171.01422	7.7
173.01451	1.6
173.02972	6.6
175.00888	50.7
176.01237	1.6
177.00684	3.7
179.04045	1.7
187.02820	1.9
187.04498	2.5
189.02437	31.1
189.04057	2.7
191.03976	1.6
193.01964	20.9
193.03732	2.6
199.00877	7.5
201.00728	2.9
201.02461	1.6
203.03975	3.5
207.03511	4.2
208.99739	1.4
217.01938	100.0
218.02159	3.3
219.03488	2.0
221.05077	11.9
223.01303	1.8
227.00327	1.9
229.05574	2.5
231.03543	6.4
235.02986	83.9
236.03215	3.8
237.02899	3.1
238.05989	2.1
240.03607	7.1
243.82460	1.3
245.01395	3.0
247.06657	10.3
249.04633	6.9
257.05206	1.8
258.04630	1.8
259.03070	14.1
259.06766	2.0
273.08102	2.1
275.06195	7.1
277.04117	60.5
278.04318	4.0
286.10895	2.1
291.09225	2.0
293.07181	5.9
295.05255	8.1
297.04745	1.3
300.05701	2.8
301.21808	2.2
314.09454	1.4
316.08966	1.6
319.04996	3.3
319.13480	4.4
319.22247	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0448
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
50.99997	0.2
55.01849	0.3
55.05496	0.3
56.96543	0.3
58.38793	0.2
63.54398	0.2
65.03930	0.4
67.01848	0.3
67.05491	0.5
68.99789	4.0
70.06551	0.3
70.34389	0.4
70.34776	0.5
71.05002	0.2
79.05481	0.3
81.03382	0.8
81.07037	0.4
85.02847	0.2
86.09654	0.2
89.03855	0.3
89.51321	0.2
91.05446	0.3
93.03381	0.3
93.07018	0.3
95.08598	0.4
100.38544	0.2
105.07021	0.4
105.42392	0.2
107.08559	0.4
109.02869	1.2
109.10099	0.2
111.00807	1.2
114.31014	0.2
115.05410	0.6
117.03339	0.3
117.06977	0.4
119.01278	0.3
121.02831	0.4
121.10140	0.4
123.04398	0.3
127.03915	0.3
131.04909	0.4
135.00836	0.2
135.04382	0.9
137.02342	10.2
137.03381	0.7
143.04967	0.3
145.02823	0.4
145.06485	0.3
147.04359	0.7
149.02287	0.6
149.05945	0.3
153.01778	1.1
155.04866	0.4
159.04431	0.4
160.31406	0.2
161.02338	0.3
161.05937	1.0
163.03891	3.3
164.04210	0.2
165.01836	6.6
169.01364	1.1
171.03105	0.3
171.04391	1.5
173.05966	0.7
175.03877	0.8
177.05496	1.5
181.01274	0.5
183.02954	1.0
183.04335	0.3
187.03903	0.7
189.05490	1.4
199.03926	1.3
201.05528	1.2
203.03345	1.3
209.00780	0.5
211.03770	0.2
215.03293	0.3
217.04930	1.7
227.01135	0.3
227.03400	5.8
228.03966	0.4
229.04939	3.1
229.14214	0.2
231.02945	0.2
237.00754	0.4
245.04449	5.3
247.05969	1.7
255.02930	4.7
256.03610	0.9
257.04456	4.8
273.03934	100.0
274.04300	3.3
275.05557	2.4
301.03351	1.6
319.04486	16.0
319.22491	0.3
320.04791	0.6
333.23456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	2.3
55.05495	6.3
56.05836	2.9
57.03417	1.4
59.04987	4.1
67.05508	12.2
68.05823	4.5
68.77412	1.2
69.03419	2.6
69.07061	7.3
70.07387	2.8
70.19928	3.2
70.20335	5.5
71.04989	2.3
76.50943	1.6
79.05492	6.8
80.05811	2.2
81.07062	15.8
82.07377	5.4
83.04935	1.9
83.08611	4.1
85.06530	5.5
86.06870	1.4
91.05476	8.8
92.05801	3.4
93.07040	15.5
94.07365	5.9
95.04961	5.1
95.08600	24.3
96.08936	12.7
97.06498	5.7
97.10156	4.1
98.06852	1.9
105.07021	17.7
106.07359	10.2
107.04926	1.5
107.08594	23.2
108.08919	11.4
109.06506	4.5
109.10164	18.1
110.10480	11.1
111.04424	9.9
111.08065	5.2
112.04764	4.4
112.08410	2.3
119.08575	25.8
120.08902	20.0
121.06499	1.5
121.10148	13.0
122.10457	5.2
123.08056	5.4
123.11679	4.8
124.08301	2.2
124.12063	1.9
131.08536	6.0
132.08871	6.0
133.06598	1.4
133.10133	13.1
134.10469	16.1
135.08031	6.0
135.11667	5.7
136.08372	3.3
136.12004	3.7
137.09619	13.3
138.09952	6.7
140.07904	1.6
143.08499	2.3
144.08928	3.4
145.10156	8.1
146.10429	7.5
147.07994	2.4
147.11722	10.4
148.08368	1.8
148.11993	8.3
149.13168	1.9
150.13544	1.5
151.11130	5.4
152.11472	6.8
154.09500	1.6
155.08440	1.9
156.08882	3.0
157.10114	7.3
158.10490	7.2
159.11726	7.0
160.08406	1.9
160.12045	9.6
161.09576	2.8
161.13214	4.5
162.13603	4.2
163.11096	1.9
163.14798	4.1
164.15146	5.4
169.09933	2.0
170.10521	4.3
171.11655	3.1
172.12021	4.9
173.09502	2.6
173.13229	3.3
174.13588	5.5
175.14792	2.1
180.10942	1.9
182.10561	1.8
183.11647	2.9
184.12057	4.0
185.13098	4.5
186.13596	3.6
186.16566	1.7
187.11197	2.7
187.14795	3.5
188.11522	3.9
188.15175	3.5
189.16359	1.8
190.16701	3.7
194.12476	1.8
196.12112	1.7
197.13203	1.9
198.13588	4.3
199.14862	2.0
200.11490	2.0
200.15115	1.8
201.16371	1.8
202.13129	3.0
202.16722	4.3
205.12166	1.8
205.15799	3.0
206.12598	3.0
206.16263	2.7
212.11591	1.7
212.15121	3.1
214.16687	3.8
216.14557	1.7
216.18210	2.4
217.12357	2.2
218.12544	2.3
219.13797	1.6
220.17860	1.5
222.13672	1.7
226.13158	2.2
226.16792	1.8
228.18222	1.8
230.12573	4.5
230.19885	1.8
232.14017	2.5
238.16699	3.5
240.14612	3.4
240.18289	5.2
244.14034	3.1
254.19788	4.9
256.17856	1.4
257.18713	1.9
258.15811	3.1
258.19278	7.8
272.20856	6.2
273.03882	2.7
273.21957	2.3
274.19028	2.4
276.20361	8.8
282.19257	9.0
300.20389	43.2
301.21686	6.9
318.07013	9.3
318.21432	100.0
319.22510	6.9
319.25986	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.2
56.05021	3.4
56.53792	3.3
56.96557	8.6
57.03430	6.2
60.15469	3.1
61.02909	10.7
69.03435	17.2
69.07065	5.7
70.06597	19.1
70.38952	7.3
70.39343	6.5
71.04977	6.2
72.08153	48.8
73.02900	3.2
74.06071	14.8
75.05585	5.2
81.03413	9.6
81.07060	4.7
84.04507	5.6
84.08134	7.7
84.90991	3.4
85.02905	100.0
86.09232	3.7
86.09714	56.1
87.10019	3.8
88.03981	5.3
91.03970	3.7
91.05463	10.6
93.07072	4.4
97.02899	27.6
98.21371	4.3
99.04443	4.0
102.05538	7.9
109.02874	9.7
110.07195	13.7
116.07087	8.3
116.98657	4.4
118.08691	4.7
120.08115	3.6
121.06506	81.7
121.10087	4.3
122.06805	5.4
127.03923	27.6
128.02083	3.4
128.10670	7.5
129.07068	3.7
130.06526	5.0
137.05948	3.8
138.05534	4.8
138.09178	3.6
143.11786	14.4
145.04953	38.5
147.04402	12.4
148.06068	7.2
156.08057	5.1
156.10172	5.0
157.13344	9.5
163.03947	7.9
163.05911	4.0
171.11258	7.1
173.12935	16.5
183.03024	3.7
187.07523	16.4
188.07071	7.3
196.55180	3.4
201.12311	16.3
205.08626	15.2
219.13341	11.1
229.08609	5.6
256.26468	3.6
265.10632	4.7
302.11624	4.2
318.06924	6.2
318.12494	33.2
318.20349	6.7
319.12814	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
53.92936	0.2
55.01862	0.6
55.05502	0.6
55.40019	0.3
56.72227	0.2
57.03433	1.5
57.43745	0.2
60.04519	1.0
61.02934	1.5
62.57978	0.2
64.49978	0.3
67.05498	0.8
68.07384	0.3
69.03093	0.3
69.03435	3.6
69.07066	1.3
69.78265	1.9
70.06580	0.6
71.04985	0.4
72.08148	0.9
73.02909	0.7
79.05495	0.6
81.03402	1.6
81.07060	0.8
82.06581	0.9
83.04974	0.6
83.08619	0.3
84.08138	0.4
85.02438	0.4
85.02909	7.3
86.09708	4.3
87.04455	0.6
87.05607	0.7
87.10041	0.3
91.03944	0.8
91.05461	0.6
93.07040	1.8
95.04969	0.3
95.07321	0.5
95.08065	0.3
95.08592	1.9
96.04476	2.5
96.08126	1.8
97.02895	4.1
97.05269	1.4
97.06544	1.5
98.06068	0.3
99.04439	0.5
100.07603	1.2
103.05477	0.3
108.17785	0.3
109.02870	0.8
110.06046	5.7
110.09671	3.3
111.08077	0.8
115.36299	0.3
118.08682	0.3
120.08089	0.9
121.06502	3.5
125.08374	0.8
126.09154	7.3
127.03918	1.8
127.09476	0.3
128.10751	0.5
130.06529	0.4
138.05527	0.3
138.09140	19.7
139.07539	1.2
145.04991	1.1
150.09114	0.3
152.10686	0.6
156.10202	100.0
157.10658	1.6
161.05992	0.3
167.13377	0.3
168.10167	1.2
173.12868	3.9
174.09192	0.4
180.10199	0.7
184.09831	0.4
193.94838	0.2
198.11201	0.7
199.08722	0.6
199.12332	0.4
201.12328	1.1
211.08730	0.4
212.09476	0.9
213.10156	0.6
225.10168	0.6
226.10997	1.6
227.11786	2.1
228.10161	1.1
251.99669	0.3
255.11314	1.0
270.10007	3.5
271.10898	0.3
272.11578	2.9
273.12320	1.2
277.12976	0.7
283.10654	1.3
288.10464	0.7
301.11838	17.3
302.12323	0.6
318.11969	0.4
318.15472	4.1
318.21506	0.5
319.12805	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	318.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70287	0.8
51.54616	0.7
55.01872	2.5
55.05506	2.2
56.05030	1.4
56.96563	1.0
57.03431	5.0
60.04516	0.9
61.02896	0.8
67.05493	1.9
69.03420	3.8
69.07074	5.0
70.01730	1.9
70.02144	3.3
70.04059	3.9
70.06579	1.8
71.01354	1.1
71.02486	5.8
71.04886	1.7
72.01526	0.7
72.04475	1.1
72.05631	1.3
72.08157	38.4
73.02910	3.1
74.06103	0.9
76.93578	0.8
79.05499	1.6
81.07046	2.2
82.07352	1.0
83.04969	1.1
83.08614	1.3
84.04510	6.0
84.08133	2.8
85.02901	5.9
86.09709	100.0
88.03995	1.5
88.05113	1.2
88.07659	1.0
89.03498	3.0
91.05500	1.5
92.05780	1.0
93.07049	1.7
95.08634	4.3
96.04421	1.1
96.08891	1.9
97.02879	2.6
97.05157	4.2
97.06540	1.5
98.03535	12.4
98.05930	1.6
98.97581	1.9
99.04367	2.2
100.05117	2.0
101.11640	0.9
102.05554	4.7
105.07030	2.5
106.07346	1.5
107.08590	2.1
108.04411	1.5
108.08908	2.0
109.05135	1.6
109.10166	3.7
110.10519	1.6
111.04420	1.7
113.04604	2.3
114.05531	1.3
115.03909	1.9
115.06181	7.3
116.98590	1.1
117.06927	0.8
118.08669	2.0
119.08559	3.6
119.12120	1.0
120.08909	3.3
121.10125	1.7
122.10413	1.3
123.11687	1.6
124.03833	1.8
125.04617	5.0
125.06979	23.3
126.05400	10.5
126.06268	1.4
126.07791	6.1
127.03883	2.8
127.06220	1.5
129.10225	1.4
130.04953	2.0
132.06538	2.1
132.10196	2.8
133.04933	2.8
133.10103	1.9
134.10452	1.9
136.06189	9.8
136.12009	0.9
137.04608	1.5
138.05515	1.7
138.10002	1.4
140.04544	1.1
141.04059	3.4
141.06519	6.8
142.04832	1.4
142.07256	1.9
143.05618	12.0
143.08612	0.9
143.11795	3.8
145.10081	1.2
146.10458	1.3
147.11697	1.4
148.06026	3.6
148.12025	0.9
151.11206	1.0
152.05684	3.7
153.06468	17.9
154.07225	13.5
155.08258	1.1
156.08823	1.3
157.13374	18.2
158.06767	1.0
159.07651	2.5
159.11786	1.2
160.12091	1.4
164.05672	2.0
164.15236	1.2
169.05980	1.8
170.06740	2.5
170.10489	1.0
171.11313	2.9
171.14941	5.0
172.12009	1.5
174.13672	1.1
177.08746	2.4
182.06728	2.0
183.07611	0.9
185.12854	10.1
185.16478	20.3
186.06258	11.1
187.07133	3.1
188.11494	0.9
196.08267	1.4
197.07391	2.4
197.12967	1.2
198.06265	1.5
199.14395	2.7
200.15132	1.2
201.08759	1.5
201.12326	1.2
203.14041	0.9
205.08186	2.9
205.11879	1.9
211.07011	2.4
213.16013	13.5
215.08432	3.1
240.18321	1.0
247.12790	1.1
257.11218	4.0
258.19312	2.4
272.21033	1.8
274.15762	2.2
275.09894	3.1
276.20383	2.9
285.10660	6.5
300.20438	6.9
318.10425	3.2
318.14038	1.2
318.21484	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	317.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60857	1.5
54.20787	1.2
55.05515	11.9
57.03428	1.7
57.07072	2.5
59.39338	1.7
65.03941	3.2
67.05503	28.2
69.03414	2.5
69.07068	13.4
71.04994	4.2
79.05479	12.9
81.07060	27.7
83.04971	4.1
83.08642	7.6
85.06538	9.3
91.05469	14.9
93.07047	33.9
95.04965	5.9
95.08607	62.0
95.27939	1.5
96.08872	1.9
97.02897	5.4
97.06544	9.7
97.10159	6.5
105.07027	32.4
105.07680	2.8
107.04941	2.9
107.07860	2.8
107.08590	50.1
107.09293	3.0
109.06509	6.2
109.10155	46.3
111.04430	20.7
111.08094	5.8
113.09669	1.7
117.07018	6.5
119.08582	50.0
121.06501	3.2
121.10144	35.7
123.08067	10.0
123.11678	10.8
125.05996	2.6
129.06998	3.7
131.08546	15.0
133.06505	3.0
133.10132	40.9
135.08041	13.1
135.11676	21.5
136.12131	1.6
136.18866	1.5
137.06036	2.6
137.09608	20.4
137.13297	3.1
139.07562	3.6
142.07750	1.6
143.08569	8.6
145.10112	24.4
147.08046	5.2
147.11673	23.9
149.09642	3.2
149.13263	10.3
151.07568	1.6
151.11162	18.2
153.09058	1.8
155.08562	3.4
156.09346	2.2
157.10139	13.1
159.08067	5.2
159.11676	22.0
161.09688	4.4
161.13260	18.9
163.07637	2.3
163.11206	4.8
163.14806	15.8
165.09102	2.5
165.12726	3.1
167.10680	1.6
169.10121	5.8
170.10962	2.2
171.11668	10.4
173.09627	3.6
173.13264	17.9
174.14030	1.8
175.11195	4.3
175.14859	7.4
177.09151	1.6
177.12807	1.9
177.16367	2.2
179.10680	3.2
181.12190	2.1
183.11618	8.8
185.13269	7.2
187.11157	8.8
187.14853	10.9
189.12695	3.7
189.16429	5.4
191.10634	2.0
193.12190	2.6
195.11813	2.5
197.13272	6.8
199.11099	2.1
199.14825	7.0
201.09204	2.1
201.12794	5.3
201.16370	7.7
203.14391	2.0
203.17952	7.5
205.12297	5.5
205.15953	5.9
207.13782	1.7
209.13289	2.9
211.14873	6.2
213.12874	1.6
213.16446	5.3
215.10704	2.6
215.14360	4.3
215.18025	4.9
217.12125	2.4
219.13904	3.6
221.15411	2.3
225.12727	2.5
227.14424	2.5
229.12267	6.6
229.15894	2.4
229.19505	3.0
239.14366	2.9
239.17879	7.2
241.15936	1.8
243.13818	6.4
243.20953	3.2
245.15434	4.0
247.13135	1.8
247.17125	2.0
253.19568	6.3
255.17482	3.4
257.15341	3.7
257.19019	11.3
257.22592	12.1
259.16931	2.7
271.20508	7.3
273.18665	2.1
275.20044	13.2
281.18909	9.1
285.22137	5.9
289.21558	1.7
299.20065	46.5
300.20358	3.4
317.06656	4.9
317.21161	100.0
317.24771	14.6
318.21432	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.05509	10.7
57.03420	1.8
57.07067	2.2
59.04976	2.5
65.03905	2.6
67.05502	23.4
69.03426	5.0
69.07067	35.5
69.90850	2.9
69.91264	6.9
79.05489	12.9
81.07055	34.7
83.04965	5.0
83.08620	7.0
85.06540	2.7
87.75853	1.9
91.04924	2.5
91.05463	16.8
93.07037	22.8
95.04967	5.0
95.08606	47.7
97.02864	2.4
97.06538	10.0
97.10194	2.5
99.08141	1.9
103.52874	2.0
104.88028	1.7
105.07037	25.2
107.04935	3.3
107.08588	29.1
109.06531	5.5
109.10155	51.4
111.04424	15.1
111.08076	4.7
117.07017	6.1
119.08581	57.4
119.14223	1.8
121.06493	4.1
121.10130	17.9
123.08064	8.4
123.11704	17.8
124.08797	1.8
125.05974	8.4
127.06644	2.1
128.30832	1.7
129.07040	3.2
131.08563	11.6
133.06490	3.7
133.10149	28.9
135.08035	5.6
135.11685	11.0
137.09610	22.6
137.13255	11.0
139.11171	2.0
142.07750	2.7
143.08563	10.5
145.06496	3.6
145.10121	18.8
147.08052	6.0
147.11690	21.5
149.09625	4.0
149.13242	5.7
151.07536	2.9
151.11198	8.6
153.06927	2.8
153.09085	3.8
155.08534	5.1
157.10138	14.3
159.08029	3.6
159.11717	18.6
161.09613	5.2
161.13235	9.4
163.11188	1.8
163.14835	3.5
165.09148	4.0
169.10146	5.7
170.10875	2.8
171.11656	10.1
173.09644	5.3
173.13226	10.6
175.11221	4.0
175.14861	4.0
179.10663	3.1
182.10918	2.6
183.11716	10.4
185.09644	3.5
185.13258	6.4
187.11157	4.5
187.14815	6.6
189.09076	2.3
189.12675	4.1
189.16452	1.7
191.10748	2.9
196.12466	2.3
197.13237	11.6
199.11349	3.7
199.14854	6.5
201.12778	8.0
201.16382	7.6
203.14340	2.3
205.12260	3.1
205.15895	3.9
211.11110	2.8
211.14816	6.7
213.16359	4.9
215.10704	4.0
215.14397	2.5
215.17882	4.9
216.61989	1.9
217.12221	7.1
219.13918	2.6
225.12697	3.6
229.12216	4.5
229.19652	2.9
231.13860	5.2
233.15500	2.0
235.13397	4.1
239.14226	4.7
239.17935	4.4
243.13780	11.0
253.19540	12.5
255.20869	3.4
257.19022	8.9
259.16776	2.2
261.14883	9.5
271.20624	12.9
275.20020	13.1
281.18982	12.7
299.20065	56.3
300.20410	3.3
317.21127	100.0
317.32635	5.0
318.21448	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	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.45555	1.2
55.01877	3.1
55.05510	10.9
57.07069	3.4
59.04986	2.1
63.13206	1.3
65.03955	2.7
67.05511	22.8
69.03413	4.2
69.07075	12.8
70.74628	5.0
71.04987	4.9
79.05496	11.4
81.03400	2.0
81.07061	27.7
82.07367	1.7
83.04966	3.4
83.08627	6.7
85.06548	6.7
91.05489	17.5
93.03386	1.7
93.07049	24.9
95.04971	3.9
95.08614	39.8
97.02872	4.1
97.06544	8.6
97.10167	4.5
98.97582	2.6
105.07036	25.2
107.04927	3.3
107.08604	34.7
109.02882	2.4
109.06540	8.3
109.09453	2.6
109.10167	36.7
111.04456	14.3
111.08077	6.5
116.67735	1.4
116.98635	1.4
117.07001	8.0
119.08582	47.9
121.06488	7.1
121.10150	20.1
123.08092	6.9
123.11700	10.8
125.06007	3.3
125.09612	2.9
128.06210	1.7
129.07025	4.0
131.04977	1.6
131.08580	10.6
133.06509	2.8
133.10141	32.2
135.08064	12.5
135.11705	9.6
137.06013	4.2
137.09613	15.5
137.13231	2.9
139.07550	3.0
141.06979	2.2
142.07736	1.7
143.08598	8.4
145.06471	1.7
145.10136	17.5
146.10519	1.5
147.04422	2.9
147.08041	5.1
147.11687	18.3
149.09637	5.7
149.13289	3.2
151.07574	3.2
151.11188	12.7
155.08571	4.5
156.09407	2.8
157.10110	10.4
159.08083	2.9
159.11716	17.4
161.09637	6.0
161.13261	11.2
163.07532	1.9
163.11201	4.4
163.14803	7.6
165.09224	2.6
165.12755	2.9
169.10139	6.7
171.08138	2.4
171.11697	10.2
173.09566	4.3
173.13272	11.6
175.11195	4.4
175.14798	3.7
177.09096	1.8
177.12811	2.5
179.10709	2.3
181.04999	5.2
181.10094	1.8
181.12286	2.3
183.11662	8.5
185.09666	3.9
185.13286	6.0
186.14204	1.8
187.11232	8.4
187.14864	7.1
189.12802	2.2
189.16351	3.1
191.10719	3.5
193.12352	2.1
197.13304	6.2
199.11189	2.4
199.14822	7.1
201.09084	2.0
201.12811	4.5
201.16415	5.2
203.10629	1.6
203.14294	1.6
205.12279	6.1
205.15936	4.3
207.17522	2.0
209.13219	2.5
211.11235	2.3
211.14883	4.8
213.12816	2.5
213.16428	2.8
215.10573	2.0
215.14140	2.6
215.17961	4.4
217.12206	4.3
219.13794	4.3
219.19446	1.4
224.15515	1.9
225.12726	2.1
229.12245	5.1
229.15826	2.8
229.19469	2.4
231.13766	1.8
237.16414	2.6
239.14278	2.0
239.17957	4.9
243.13847	3.8
247.13234	1.6
253.19495	5.7
255.17587	2.2
255.20988	1.6
257.15475	1.6
257.18991	10.7
259.16754	1.5
271.10925	1.8
271.20651	5.7
275.20050	13.4
281.19098	7.2
289.21805	2.5
299.10416	2.1
299.20071	43.2
300.20633	2.1
317.07217	1.5
317.11209	10.0
317.21133	100.0
318.11774	2.0
318.21402	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	317.2109
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.02364	1.8
53.03948	2.4
53.95948	1.1
55.01860	3.6
55.05509	15.7
57.03430	2.6
57.07064	4.2
57.31861	1.1
59.04983	2.1
65.03934	4.2
66.21854	1.1
67.05504	42.8
69.03428	7.8
69.07066	66.6
69.58940	8.5
71.04967	2.4
72.93317	1.0
73.02916	1.5
75.60741	0.9
79.05490	18.7
81.03389	3.1
81.07054	54.3
83.04977	5.8
83.08615	8.5
85.06529	4.2
90.64884	1.0
91.05476	24.2
93.03409	1.9
93.07044	35.8
95.04963	9.3
95.08602	76.5
97.02880	5.4
97.06523	22.3
97.10200	2.1
99.08106	1.5
103.05463	2.0
105.07025	44.4
107.04916	3.9
107.07861	1.8
107.08595	41.6
109.06512	9.8
109.10153	78.4
111.04444	25.6
111.08080	6.7
113.09631	3.5
115.05486	2.1
117.07015	11.3
119.04913	1.8
119.08582	94.5
121.06509	10.8
121.10147	26.0
123.08069	15.6
123.11704	28.8
125.05949	3.9
125.09620	1.2
128.06210	3.0
129.06995	5.0
130.07776	1.7
131.08559	18.7
133.06499	6.1
133.10126	43.3
135.04411	1.8
135.08061	9.7
135.11678	12.5
137.05975	3.7
137.09616	37.2
137.13246	27.0
139.07552	4.4
141.06978	3.5
142.07738	3.6
143.08556	12.6
144.09335	1.9
145.06529	4.0
145.10127	26.2
146.10889	1.4
147.04355	2.8
147.08031	17.3
147.11678	24.9
149.05998	3.3
149.09596	4.3
149.13272	5.3
151.07536	4.4
151.11169	14.3
153.09073	7.9
155.08566	7.5
156.09341	4.2
157.06488	3.4
157.10109	18.1
158.10890	1.6
159.08080	6.5
159.11697	24.2
160.12415	1.3
161.06062	1.4
161.09651	7.0
161.13254	14.0
163.07556	3.8
163.11185	4.3
163.14790	3.5
165.09114	7.8
165.12735	3.1
167.08636	1.3
167.10709	2.4
168.09360	2.1
169.10143	8.5
170.10933	1.6
171.08046	1.4
171.11693	14.0
172.08867	1.2
173.09631	9.5
173.13249	15.5
175.07518	4.8
175.11188	6.4
175.14798	4.3
177.09154	2.4
177.12801	2.1
177.16374	2.0
177.68509	1.3
179.06985	2.0
179.10638	5.8
181.10114	3.0
181.12219	3.8
182.10899	1.8
183.11682	12.4
185.09645	2.7
185.13246	10.6
187.07629	1.6
187.11217	7.2
187.14835	10.0
189.09120	2.9
189.12758	9.8
189.16365	6.3
191.10652	3.7
193.08527	1.4
193.10278	1.4
193.12262	2.7
195.11731	2.8
197.09647	1.6
197.13222	14.2
199.11139	6.3
199.14790	8.3
201.09143	3.2
201.12721	11.5
201.16330	7.8
203.10677	5.8
203.14287	4.5
205.12270	5.8
205.15907	4.0
207.13748	2.4
207.17569	1.8
211.11270	2.2
211.14766	6.2
213.12778	5.3
213.16396	5.0
215.10690	3.8
215.14330	10.1
215.17967	7.1
217.12256	13.5
219.13779	7.2
221.15424	2.9
223.14961	1.5
225.12665	5.5
225.16261	1.7
227.14235	3.6
227.17833	1.3
229.12241	7.3
229.15828	1.4
229.19534	4.5
231.13837	11.9
233.11703	1.8
233.15326	5.8
235.13257	3.8
239.14391	5.5
239.17967	7.2
241.15848	2.7
243.13783	22.8
245.15413	1.5
247.13422	1.3
247.16899	1.9
249.14824	2.3
253.19533	8.6
255.17474	1.5
257.15347	4.7
257.18967	13.4
259.16849	4.0
261.14859	20.1
263.17911	2.6
271.17416	1.3
271.20544	6.7
273.18506	1.6
275.20020	22.2
279.15900	3.9
281.19003	11.1
289.21771	2.6
299.16629	1.9
299.20053	47.5
317.21097	100.0
323.86841	1.2
335.22098	1.8
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	Didemnilactone A
Peak:m/z	Relative Intensity
55.01880	1.3
55.05507	4.8
66.41336	1.0
67.05511	9.6
69.03428	1.9
69.07064	5.7
69.51434	5.2
69.51859	3.2
79.05492	8.6
81.07053	15.0
83.04987	1.9
83.08600	2.4
85.02893	1.8
91.05484	12.5
93.07043	17.5
95.04954	4.4
95.08607	20.5
97.06515	2.2
97.10127	1.9
103.05460	1.2
105.07040	19.6
107.08603	24.8
109.06516	8.8
109.10167	12.4
111.04439	4.3
111.08106	2.1
117.07024	5.2
119.08581	32.7
120.08878	1.3
121.06521	2.0
121.10137	11.4
122.10388	1.1
123.08075	3.8
123.11706	3.6
125.05978	1.7
129.07002	2.5
131.08557	8.5
133.10129	18.3
135.08070	6.3
135.11684	4.5
137.09612	3.4
137.13330	1.0
141.06956	1.2
142.07805	1.3
143.08566	5.3
145.10129	13.7
147.08051	1.6
147.11679	9.6
149.09619	2.3
149.13280	1.2
151.11188	2.6
155.08606	1.4
156.09308	1.0
157.10130	7.8
158.10699	1.1
159.11703	14.3
161.09619	1.8
161.13271	5.0
163.11229	2.0
169.10173	2.2
171.11673	5.2
173.09567	1.1
173.13225	5.3
175.11194	1.4
175.14896	2.3
177.09100	1.3
179.08537	1.1
183.11667	4.1
185.13254	3.5
187.11179	2.5
187.14877	3.2
189.16284	1.8
191.10706	1.6
197.13268	2.9
199.11156	1.2
199.14798	3.5
201.12758	1.7
201.16393	3.3
205.12256	1.9
211.11153	1.2
211.14835	2.3
213.16443	1.2
215.10663	2.0
217.12161	1.7
225.12833	2.0
229.12267	3.0
239.18033	2.0
243.13835	2.3
253.19528	2.4
257.15256	1.6
257.19064	1.8
271.20413	2.0
275.20007	1.8
281.19012	2.8
299.20029	15.9
317.06454	1.8
317.21115	100.0
318.21555	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	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
51.26386	1.1
53.03926	1.2
55.05515	6.1
59.04980	1.7
65.03954	1.2
67.05507	10.8
69.03434	1.7
69.07083	5.8
70.51858	2.1
70.52245	2.3
71.04993	1.3
79.05495	10.2
81.07058	16.0
83.04962	2.0
83.08630	2.7
85.02927	2.3
85.06547	3.3
91.05477	10.9
93.07048	16.1
95.04960	5.0
95.08052	1.8
95.08613	22.7
97.02864	1.8
97.06520	4.7
99.08082	1.2
105.07032	21.6
107.08602	22.2
109.06556	6.7
109.10164	14.0
111.04447	7.0
111.08079	3.9
117.07030	2.8
119.08589	32.6
119.89236	1.1
121.02883	1.3
121.06451	2.3
121.10152	12.5
123.08080	3.8
123.11707	2.8
125.06010	1.7
129.07039	1.5
131.08582	8.7
133.10146	17.5
134.94759	1.2
135.08073	6.5
135.11674	5.1
137.09625	8.1
137.13173	1.6
139.07520	1.7
143.08551	2.9
144.09293	1.3
145.10127	16.1
146.10518	1.2
147.08098	1.4
147.11694	13.4
149.09622	2.8
149.13205	1.5
151.07530	1.5
151.11201	3.0
157.10158	7.3
159.11668	11.5
161.09604	1.7
161.13243	4.4
163.11203	2.2
163.14870	3.3
165.09102	1.3
169.10117	4.1
171.11765	6.1
173.09726	1.5
173.13333	6.3
175.11246	1.8
175.14859	2.0
177.09109	1.6
179.10677	1.6
183.07664	1.0
183.11732	2.6
185.09695	1.5
185.13303	5.3
187.11174	4.4
187.14772	3.6
189.16409	2.3
191.10643	1.3
193.12239	1.9
197.13263	4.2
199.14824	4.3
201.12730	1.7
201.16444	3.1
205.12320	3.3
207.11884	1.3
211.11244	1.4
211.14856	1.3
213.12798	2.7
213.16533	2.1
215.10739	1.3
217.12305	1.9
229.12213	2.9
239.18027	2.7
243.13734	2.7
253.19516	3.8
257.04474	5.1
257.15619	1.2
257.18985	3.9
271.20459	2.1
275.20114	3.6
281.19012	4.4
299.20038	14.7
300.10663	1.4
317.06595	1.6
317.21118	100.0
318.21466	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03936	1.9
54.30870	1.2
55.01869	2.8
55.05520	6.9
55.32432	1.1
57.03429	1.3
57.07069	3.6
64.52168	1.2
64.81920	1.0
67.05511	15.8
69.03416	3.9
69.07062	11.9
71.03322	3.5
71.04979	2.7
76.67921	1.1
79.05493	10.6
81.07055	32.5
82.48510	1.3
83.04981	3.5
83.06080	4.1
83.08604	5.6
85.02893	4.8
85.06544	10.0
91.05473	13.8
92.02591	2.3
93.03407	2.6
93.07037	22.5
95.04951	5.5
95.08604	28.2
97.02874	3.4
97.06519	4.9
97.10149	2.5
99.08087	5.6
105.07034	21.0
107.04917	1.5
107.08591	31.6
109.06496	9.2
109.10151	19.9
111.04436	9.4
111.08056	3.6
117.07005	5.7
119.08576	36.3
121.02819	1.7
121.06500	3.1
121.10146	16.2
123.08070	6.4
123.11711	7.7
125.06018	1.4
125.09637	1.9
129.07021	2.7
131.08574	9.5
133.10135	23.9
135.08041	9.3
135.11664	8.5
137.05956	4.7
137.09596	12.2
137.13242	4.5
139.03838	1.5
139.07532	2.8
143.08559	5.6
145.10115	15.9
147.04344	1.4
147.08060	1.5
147.11673	12.8
149.09587	3.7
149.13242	2.7
151.03973	1.5
151.07497	2.3
151.11240	6.5
152.37141	1.3
153.01842	14.4
155.08516	3.2
157.10182	9.1
159.08008	2.0
159.09169	2.9
159.11703	14.0
161.09630	3.0
161.13278	7.2
163.11195	2.3
163.14818	7.0
165.09134	2.7
165.12793	2.0
167.10602	1.4
169.10097	2.8
170.10927	1.4
171.11682	7.9
173.09674	2.3
173.13242	7.7
175.03821	1.3
175.11192	3.1
175.14839	2.7
176.94472	1.8
179.10701	1.6
181.10115	1.3
183.11693	3.9
185.09627	2.3
185.13245	4.1
187.11180	5.3
187.14845	3.7
189.12788	1.7
189.16394	2.6
191.10661	2.7
193.12210	3.9
197.13286	6.6
199.14874	3.5
201.12726	2.1
201.16394	2.9
205.12280	3.6
205.15834	3.2
211.11279	1.5
211.14874	3.1
213.12773	2.6
213.16342	1.6
215.17940	3.1
217.04890	2.1
217.12340	2.0
219.13824	1.3
223.14807	1.5
225.12700	1.5
228.04202	3.5
229.05014	5.0
229.12210	3.4
229.19238	1.2
231.02968	1.3
233.15385	2.1
239.07217	1.4
239.18109	3.3
241.15874	1.7
243.13733	2.3
245.04375	1.8
246.05290	4.1
253.19566	4.4
257.04428	4.5
257.19046	4.7
271.20511	6.7
273.03818	3.1
273.18494	2.1
274.04807	7.7
275.20111	8.0
281.18942	4.7
285.04053	6.5
299.20053	27.5
300.20398	1.5
302.04187	15.8
317.06570	89.9
317.21118	100.0
318.06866	9.6
318.21436	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	317.2111
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.01880	1.9
55.05519	7.1
57.07056	2.0
67.05505	14.4
69.03426	2.1
69.07072	7.4
69.99774	7.9
71.04990	3.3
73.06503	1.3
79.05480	6.9
81.07076	14.3
83.04947	1.5
83.08607	4.4
85.06535	6.4
91.05490	9.6
93.07053	17.1
93.51162	1.4
95.04973	2.6
95.08054	2.3
95.08606	26.9
97.02885	1.9
97.06527	5.6
97.10170	2.5
105.07024	20.0
107.08597	22.9
109.06487	4.4
109.10159	25.3
111.04470	12.0
111.08070	4.3
117.07031	4.4
119.08585	35.1
121.06453	1.9
121.10123	16.2
123.08075	5.8
123.11700	5.3
125.09634	1.8
131.08554	6.9
133.10139	22.5
135.08060	6.0
135.11679	6.9
137.09616	18.2
139.07567	2.3
142.07755	2.3
143.08568	5.6
145.10129	11.7
147.08058	2.2
147.11700	12.9
149.09668	2.1
149.13239	3.6
151.11189	8.5
155.08554	2.4
157.10178	9.1
159.08098	2.7
159.11740	14.2
161.09644	3.4
161.13266	7.4
163.07613	1.7
163.11183	4.2
163.14738	10.1
165.12708	2.4
169.10124	4.9
171.08119	1.6
171.11690	6.3
173.09702	3.1
173.13283	5.0
175.14804	3.6
177.09186	1.8
179.10741	3.6
179.14430	1.7
183.11696	5.8
185.09639	2.1
185.13293	5.5
187.11090	6.8
187.14838	5.5
189.16399	4.0
191.10701	2.1
197.13248	3.9
199.14804	3.9
201.12654	3.6
201.16446	4.7
205.12215	5.3
205.15948	3.7
207.17412	1.5
211.14847	4.0
213.16353	3.4
215.10655	1.7
215.14186	1.9
215.17940	3.4
217.12270	2.5
225.12816	1.9
229.12225	3.8
229.19589	3.2
237.16469	1.9
239.14392	2.9
239.17967	7.3
243.13828	3.6
245.15535	1.5
247.13184	1.7
253.19565	4.9
255.17422	2.0
257.15256	2.5
257.19049	10.4
259.17117	1.5
263.18051	2.0
271.20609	6.5
273.18448	3.6
275.20126	13.2
281.19064	6.7
299.16629	2.3
299.20065	41.4
300.20212	2.3
317.21124	100.0
318.21439	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	317.2113
Annotation	Bacillariolide II
Peak:m/z	Relative Intensity
53.03940	2.1
55.05514	8.1
57.07066	1.9
59.89988	2.0
60.04512	6.9
65.03951	3.1
67.05508	26.2
69.03424	3.8
69.07074	9.5
70.37647	3.3
70.38042	3.4
71.05014	1.9
79.05486	8.1
81.07058	25.9
83.04989	2.4
83.08614	4.2
84.77425	1.6
85.06527	4.6
88.19685	1.6
91.05483	11.3
93.07041	14.7
95.04984	4.3
95.08606	39.2
97.02863	3.4
97.06532	4.0
97.10131	2.0
98.98174	1.8
99.90850	1.6
105.07037	26.0
107.04917	2.4
107.08591	26.3
109.06535	3.0
109.10161	100.0
110.10469	3.9
111.04425	8.8
111.08083	7.3
112.08929	1.6
117.06999	5.6
119.08579	36.8
121.06491	3.1
121.10140	19.0
123.08065	6.1
123.11710	12.7
125.02343	4.8
125.06013	2.5
129.07036	3.1
130.07802	3.3
131.08578	12.8
133.06538	2.7
133.10139	21.2
135.08060	6.9
135.11694	10.5
137.09615	7.3
137.13177	2.7
139.03934	10.9
141.06989	2.3
143.08560	10.1
144.09398	1.9
145.10112	24.1
147.08073	3.6
147.11708	15.0
149.05966	2.3
149.09621	4.2
149.13239	3.0
151.07509	3.3
155.08554	5.2
156.09277	4.7
157.10126	10.8
159.11696	14.2
161.06000	1.9
161.09604	10.0
161.13283	9.1
163.07620	2.2
163.11182	5.9
163.14812	6.4
165.09117	5.4
165.12692	2.3
169.10158	10.3
170.10959	2.3
171.08112	1.7
171.11681	12.5
173.09636	9.4
173.13242	8.4
175.11220	4.8
175.14880	3.8
177.09073	3.1
177.12823	2.8
177.16373	12.0
183.11699	8.4
185.09685	2.6
185.13200	8.5
187.11287	2.2
187.14803	5.7
189.09108	8.2
189.12715	2.8
189.16399	4.9
191.10667	15.9
192.67174	1.7
192.76338	2.0
193.08658	3.5
195.11893	2.1
197.13260	9.6
198.65326	1.7
199.14830	6.1
201.09071	3.1
201.12714	5.2
201.16304	2.7
203.10724	3.3
205.12180	3.1
205.15886	6.0
206.03198	1.9
209.11752	5.7
211.11201	2.6
211.14903	7.2
213.16388	2.2
215.10590	2.0
215.14267	2.2
217.12254	8.0
219.13745	3.1
225.12646	3.4
229.12186	6.3
239.14252	2.2
239.18063	5.0
243.13821	5.8
253.16026	2.2
253.19519	9.8
255.21422	2.2
257.15280	10.3
257.19150	3.2
261.78571	1.8
271.20566	8.6
281.19043	10.4
299.20056	93.1
300.20325	8.4
317.21130	78.9
317.24969	2.1
317.28824	3.1
318.21448	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03936	1.2
53.87894	1.0
55.05510	8.9
59.04984	1.9
65.58527	1.3
67.05172	1.6
67.05508	20.3
69.03419	1.8
69.07073	8.9
69.83897	4.7
69.84312	2.4
71.04985	2.1
76.03905	1.1
79.05498	6.8
81.07060	20.2
82.07430	1.3
83.04971	3.5
83.08638	5.6
85.02909	1.2
85.06532	4.9
91.05486	12.6
93.07047	17.8
95.04972	6.1
95.08609	32.2
97.02881	3.1
97.06516	4.8
97.10168	2.2
105.07025	21.5
107.04910	3.1
107.08587	28.6
109.06494	6.7
109.10161	21.4
111.04434	11.7
111.08082	3.6
113.09647	1.1
115.82991	1.1
117.07021	4.8
119.08583	42.8
121.06492	4.0
121.10147	16.0
123.08061	5.9
123.11718	7.2
124.06434	1.3
125.06053	1.5
128.06259	1.8
129.07047	3.6
131.08594	9.6
133.06491	2.1
133.10127	23.2
135.08049	8.9
135.11674	5.9
137.09630	11.8
137.13261	2.2
141.06929	1.4
142.07773	1.4
143.08578	6.1
144.09335	2.2
145.10120	18.4
146.10648	1.8
147.08052	4.0
147.11696	13.1
149.05957	1.4
149.09622	2.5
149.13269	2.8
151.11205	8.0
153.01897	2.5
153.09186	1.5
155.08531	3.8
156.09360	1.5
157.10101	7.8
159.08055	1.6
159.11711	17.5
160.12422	1.8
161.09558	2.7
161.13280	7.3
162.73201	1.3
163.07593	1.5
163.11171	3.2
163.14859	6.8
165.09103	1.3
165.12689	2.4
169.10153	4.3
170.10924	1.8
171.11656	9.4
173.09525	1.9
173.13274	7.9
175.11189	4.1
175.14810	2.1
177.12697	1.7
179.10695	2.3
181.10083	2.1
182.10867	1.6
183.11682	5.8
185.09747	1.9
185.13254	5.2
187.11195	5.0
187.14838	4.8
189.16411	2.7
191.10605	2.2
193.12288	1.9
196.12517	1.5
197.13341	7.2
199.11160	2.1
199.14807	5.7
201.12762	3.6
201.16408	4.5
203.10742	1.3
203.14516	1.3
205.12234	4.3
205.15924	2.6
209.84766	1.3
211.11346	1.6
211.14806	4.3
213.12788	1.2
213.16330	2.7
215.10587	1.5
215.14418	1.6
215.17918	2.6
217.12259	2.2
217.37137	1.3
219.13852	2.3
225.12834	1.5
229.04915	2.3
229.12199	3.5
229.15942	1.3
231.13867	2.0
237.16417	2.2
239.14244	1.8
239.17947	4.7
243.13908	3.2
253.19580	4.9
255.17618	1.3
257.04434	1.6
257.15314	3.6
257.18912	6.1
259.17032	1.6
263.17807	1.7
271.20526	7.1
274.04691	2.4
275.20038	6.8
281.18973	5.0
285.04013	2.2
289.21597	1.6
299.20117	29.4
300.20377	1.8
302.04190	3.7
317.06445	20.2
317.21124	100.0
318.07101	2.3
318.21460	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
51.02383	0.9
53.03939	1.6
55.01848	1.5
55.05265	0.7
55.05511	8.4
57.03430	1.0
57.07070	1.7
59.04993	1.1
65.03930	1.4
67.05505	20.1
69.03425	2.2
69.07063	8.8
69.57122	4.6
71.04986	3.3
77.67316	0.6
79.05492	9.3
81.07056	20.9
83.04972	3.5
83.08611	5.0
85.06541	7.5
91.05483	13.1
93.03452	0.6
93.06465	1.2
93.07041	20.2
95.04996	3.3
95.08606	33.5
97.02891	2.5
97.06535	6.2
97.10165	3.1
98.20759	1.3
103.05465	0.9
105.07028	20.3
107.04960	1.5
107.08598	30.3
107.78052	0.5
109.06500	4.4
109.10159	27.9
111.03699	1.2
111.04442	18.0
111.08082	4.3
113.09624	1.0
113.32069	0.7
115.05434	1.4
117.07011	4.9
119.08579	47.4
121.06495	4.1
121.09308	1.3
121.10140	18.1
123.08055	7.3
123.11694	8.0
124.08882	1.0
125.05984	2.0
127.83112	0.6
128.06226	1.0
129.07008	2.9
130.07758	1.3
131.08580	8.1
133.06505	2.3
133.10129	25.4
135.08044	7.5
135.11690	8.2
137.05962	1.7
137.09607	14.1
137.13248	1.3
139.07549	2.5
139.11134	0.9
141.07019	1.7
142.07767	1.5
143.08557	6.7
144.09302	1.1
145.06487	0.9
145.09026	1.2
145.10114	14.0
147.08049	3.6
147.11693	14.0
149.05978	1.1
149.09630	2.5
149.13269	4.4
151.07555	2.2
151.11169	11.7
153.09074	1.0
155.07190	0.8
155.08546	3.8
156.09363	1.7
157.06526	0.7
157.10118	9.9
158.10797	0.9
159.08047	3.0
159.11705	14.1
160.12462	1.1
161.09627	3.2
161.13268	9.3
163.07568	1.4
163.11180	2.8
163.14815	16.4
163.16100	1.3
165.09126	2.9
165.12749	2.0
167.10661	1.4
168.09335	1.4
169.10138	6.3
170.10912	1.3
171.08005	0.8
171.11697	8.3
173.09724	3.0
173.13261	7.9
175.11206	3.1
175.14769	3.1
177.09094	1.7
177.12781	1.3
177.16397	1.3
178.02649	0.6
178.13464	0.9
179.10680	2.9
181.10211	1.1
181.12253	1.2
182.10925	0.8
183.11687	6.5
185.09654	2.9
185.13234	4.2
186.13696	0.6
187.11194	7.9
187.14847	5.0
189.09081	1.2
189.12782	2.1
189.16350	4.1
191.10677	2.7
191.14264	1.0
193.10129	0.8
193.12228	2.7
195.11705	1.2
197.09650	0.7
197.13274	6.6
199.11232	2.2
199.14816	4.4
201.09114	0.9
201.12799	4.1
201.16414	4.8
203.10672	2.4
203.14317	1.3
205.12236	6.3
205.15916	4.3
207.13844	0.8
207.17471	2.1
209.13216	1.3
211.11183	1.9
211.14830	4.0
213.12727	1.4
213.16367	4.3
215.10725	1.8
215.14328	2.5
215.17953	4.1
217.12305	3.7
217.15807	0.7
219.13818	2.4
221.13406	1.1
224.15567	1.0
225.12759	1.8
225.16406	1.7
227.14368	1.1
227.17953	1.9
229.12294	7.1
229.15918	1.4
229.19501	3.1
231.13747	1.1
233.11436	0.7
233.15492	1.5
235.13206	0.8
237.16377	1.3
239.14294	2.6
239.17952	6.9
241.15849	1.2
243.13812	3.8
245.15404	1.8
247.13290	2.1
253.19559	5.7
255.17500	1.8
257.15399	3.0
257.19022	10.2
259.16928	2.0
263.18024	1.1
271.17596	1.2
271.20575	7.6
273.18518	2.2
275.20068	14.4
281.18982	9.3
289.21606	1.3
299.20059	44.4
317.21112	100.0
318.21744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01857	1.3
55.05518	4.6
55.23687	0.8
57.07082	1.2
67.05508	10.0
68.49107	0.9
69.03432	1.7
69.07082	5.9
70.88378	1.4
70.88687	1.6
71.05006	1.1
79.05492	5.8
81.07059	16.8
83.04956	1.1
83.08634	4.8
84.83096	0.9
85.02937	2.4
85.06539	1.3
91.05475	9.7
93.07043	10.7
93.45312	0.9
95.04955	3.1
95.08611	18.9
97.06509	2.4
98.03688	2.0
99.08098	1.7
105.07035	15.0
107.04954	1.2
107.08599	24.5
107.09293	2.1
108.08920	1.2
109.06530	5.5
109.10162	10.0
111.04447	6.1
111.08077	1.2
115.48691	0.9
117.07018	2.5
119.08582	48.5
120.08906	1.7
121.06538	2.0
121.10123	9.0
123.08070	3.1
123.11709	4.1
129.07002	1.8
131.08571	4.9
133.04900	1.0
133.10132	13.5
135.08075	5.6
135.11678	2.2
137.09624	2.0
137.13268	1.9
142.07784	1.3
143.08574	3.6
144.09270	1.1
145.10136	10.6
147.08067	1.5
147.11696	6.5
149.09659	2.6
149.13277	1.0
151.11104	0.9
153.12709	1.3
155.08618	1.6
156.06329	0.9
156.09360	1.6
157.10149	5.3
159.11720	11.2
159.45674	0.9
161.09625	1.2
161.13255	3.9
165.09100	1.9
165.12871	1.1
169.10144	3.9
170.10957	1.6
171.11713	5.0
173.09662	2.0
173.13315	5.9
175.11246	1.6
179.10812	1.3
183.11650	3.8
185.13290	3.6
187.11232	2.2
187.14841	3.0
189.12781	1.4
189.16370	2.0
191.10585	1.1
193.12440	1.0
195.11615	1.4
197.13255	4.0
199.14861	3.1
201.12827	1.7
201.16438	1.9
205.12183	2.2
205.15955	1.2
211.11081	1.7
211.14876	1.7
213.16425	1.3
215.10825	1.4
215.14360	1.5
217.12236	3.0
219.13678	1.6
229.12312	1.3
231.13852	1.1
235.13162	1.1
239.14355	1.4
239.17908	2.5
243.13705	1.7
253.19533	3.5
257.19138	1.5
271.20566	1.5
281.18887	2.3
299.20132	12.6
300.20328	1.8
317.21127	100.0
318.21558	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	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.05496	4.0
57.03421	1.4
60.90181	0.9
67.05505	10.3
69.03430	2.3
69.07059	7.0
71.04983	1.1
71.12933	1.1
71.20701	2.7
74.50739	1.0
79.05491	9.4
81.07057	16.0
83.04983	2.2
83.08617	4.0
85.06512	1.8
91.05479	13.8
93.07047	19.2
95.04411	1.2
95.04967	3.6
95.08051	1.9
95.08607	23.7
96.08954	1.2
97.02853	1.1
97.06530	3.4
97.10209	1.3
99.08080	4.4
105.06387	1.7
105.07037	24.5
107.04929	2.1
107.08595	37.6
109.06525	7.0
109.10159	13.4
111.04443	4.7
111.08057	4.0
117.07028	4.4
117.49780	1.0
119.08582	36.3
120.08909	1.6
121.06542	1.8
121.10153	13.6
123.08067	3.4
123.11705	5.4
125.06046	1.2
125.09591	2.6
129.07010	1.6
131.08585	6.4
133.06517	2.0
133.10110	18.5
135.08060	5.6
135.11678	3.8
137.05991	3.7
137.09641	3.2
137.13234	1.4
140.50563	1.2
141.06999	1.1
142.07767	2.1
143.08540	4.5
144.09354	1.5
145.06567	1.1
145.10095	12.2
147.07990	2.3
147.11676	15.6
149.09607	4.9
149.13249	1.6
151.07504	2.2
151.11174	3.3
155.08549	2.8
157.10133	7.4
159.07980	1.3
159.11668	10.4
161.13257	4.0
163.11206	2.2
163.14803	2.9
165.09142	1.2
165.12766	2.4
169.10114	3.9
170.10823	1.2
171.11717	5.5
173.09761	1.2
173.13295	5.6
175.11176	4.9
177.09097	1.1
177.12770	1.5
181.12267	1.6
183.11766	3.5
185.09605	1.5
185.13220	3.0
187.11101	2.1
187.14888	2.5
189.12727	1.8
189.16304	2.0
191.10660	1.4
191.22221	1.2
193.12173	6.0
197.13260	4.3
199.11201	1.9
199.14809	3.5
201.12997	1.8
201.16423	2.3
205.12111	1.4
211.11221	1.5
211.14836	2.6
213.16315	1.7
215.18202	1.1
217.12230	1.4
219.13786	2.0
225.16472	1.4
229.12169	2.8
231.13837	1.2
239.17992	2.3
243.13791	2.6
245.15237	1.3
253.15898	1.4
253.19452	2.3
257.04431	2.6
257.18875	2.5
271.20663	1.5
273.53741	1.2
275.20038	1.9
281.18851	1.8
299.20047	14.4
317.06375	1.8
317.21115	100.0
318.21487	6.6
335.22052	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03937	1.8
53.95372	1.6
55.05516	9.8
57.03437	2.1
57.07076	2.3
67.05178	1.7
67.05506	23.0
69.03415	2.1
69.07076	10.0
70.10278	7.2
71.04981	3.4
79.05487	9.7
80.91037	1.7
81.07060	20.1
83.04961	3.6
83.08606	6.6
85.06532	6.0
91.05482	9.9
93.07046	21.9
95.04962	3.2
95.08606	38.6
97.02896	4.4
97.06503	8.1
97.10152	4.4
98.21497	1.9
99.08095	1.5
105.07029	24.5
107.04972	1.8
107.08596	36.8
109.06506	4.5
109.10150	32.7
109.80024	1.5
111.04450	19.2
111.08070	7.4
117.07014	4.0
119.08576	36.5
121.06487	3.9
121.10141	20.5
123.08083	8.0
123.11706	7.1
125.05927	1.9
125.09588	1.7
129.06978	3.4
131.08571	8.3
133.06479	2.3
133.09225	2.4
133.10123	26.0
135.08020	10.7
135.11713	10.2
137.05977	2.3
137.09613	19.9
137.13199	1.8
139.07523	3.6
142.07780	1.8
143.08574	6.8
144.09435	1.4
145.10104	16.2
147.08031	3.5
147.11693	16.8
149.09630	2.6
149.13254	7.4
151.07559	2.3
151.11197	16.3
155.08533	3.9
156.09369	2.4
157.10112	11.3
159.08023	3.1
159.11702	19.1
161.09607	5.3
161.13264	10.5
163.11125	3.1
163.14818	17.1
165.09096	2.1
165.12752	2.3
168.09419	1.5
169.10141	4.6
171.11726	6.9
173.09644	3.9
173.13223	7.6
175.11234	3.0
175.14819	3.9
177.09102	3.3
178.13647	2.5
179.10654	2.7
183.11676	9.6
185.09601	3.2
185.13269	4.7
187.11119	7.8
187.14844	5.0
189.16397	5.1
191.10703	3.1
193.12245	2.7
197.13248	5.9
199.14854	6.7
201.12712	2.5
201.16464	3.9
203.10657	3.5
203.14301	1.7
205.12259	7.6
205.15831	3.3
207.13878	1.5
211.11113	2.2
211.14819	4.5
213.12740	2.5
213.16399	3.5
215.10707	2.0
215.14424	3.1
215.17847	3.9
217.12341	1.8
219.13748	1.8
225.12801	2.9
227.17854	2.1
229.12282	5.3
229.19426	2.6
231.13869	2.6
233.15382	2.0
237.16364	2.1
239.14224	2.8
239.17934	7.4
243.13846	4.6
245.15416	2.3
253.19510	7.0
255.17525	3.8
257.15311	1.9
257.18997	11.2
271.17111	1.7
271.20599	6.9
273.18472	2.6
275.20068	15.1
281.18964	5.8
289.21573	2.1
299.20047	43.8
300.20398	4.0
317.21103	100.0
318.21588	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	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03945	0.7
55.01860	1.3
55.05296	0.7
55.05512	7.0
56.73800	0.6
57.03430	1.3
57.07061	2.1
59.04985	1.9
65.03929	2.1
67.05504	21.0
68.59480	0.5
69.03416	2.2
69.07073	10.5
69.83168	0.6
70.21561	2.0
70.21951	1.1
71.04982	2.7
79.05490	7.2
81.07056	20.3
83.04970	2.4
83.08620	5.0
83.36187	0.7
85.06529	5.4
91.05482	12.7
93.03440	0.7
93.06466	1.1
93.07043	18.4
95.04964	3.6
95.08611	33.1
97.02897	3.4
97.06531	6.9
97.10169	3.5
99.08052	0.7
100.90898	0.6
103.05424	1.2
105.07027	21.9
107.04931	2.2
107.08589	32.0
109.06535	5.7
109.10157	24.6
111.04436	15.2
111.08082	6.6
113.09624	1.1
115.05498	0.8
117.07028	4.9
119.04919	0.7
119.08581	52.3
121.06525	3.7
121.10140	17.2
121.11021	0.9
123.08064	6.2
123.11711	7.1
125.05979	3.2
125.09643	1.5
128.06181	0.8
128.60356	0.6
129.06996	1.9
130.07802	0.8
131.08572	9.6
133.06448	2.3
133.10133	27.7
135.08057	6.8
135.11682	10.3
137.06001	1.7
137.09615	17.2
137.13243	1.9
139.07542	1.9
139.11145	0.7
141.06976	1.8
142.07706	1.5
143.08554	7.4
144.09340	1.4
145.10127	14.1
145.52849	0.6
147.08026	2.9
147.11694	15.6
149.05956	1.4
149.09642	2.1
149.13248	3.4
151.07492	1.8
151.11188	11.9
153.09073	0.9
154.07867	0.7
155.08551	4.0
156.09326	2.3
157.10123	10.8
158.10875	0.8
159.08083	2.8
159.11690	16.7
161.09665	4.9
161.13242	9.2
163.07578	1.1
163.11186	2.4
163.14824	13.0
165.09132	2.6
165.12785	2.2
167.10689	1.8
168.09315	1.2
169.10127	5.6
170.10927	1.7
171.08051	0.9
171.11694	8.1
173.09677	3.0
173.13258	8.7
175.07713	0.7
175.11214	4.0
175.14822	3.7
177.09113	1.8
177.12744	2.2
177.16348	1.0
178.13475	0.7
179.10646	3.1
181.10098	1.5
181.12312	1.2
183.08078	0.8
183.11687	6.6
185.09673	2.0
185.13290	4.9
187.11172	7.2
187.14825	5.0
189.12752	2.7
189.14847	0.7
189.16408	4.3
191.10645	2.8
191.14304	1.0
193.12259	2.0
195.11668	1.8
196.12514	1.5
197.09552	0.9
197.13264	6.4
199.11159	2.3
199.14806	4.1
201.09085	0.8
201.12750	3.5
201.16383	6.5
202.17102	0.7
203.10686	2.2
203.14328	2.0
205.12219	5.8
205.15833	4.6
207.17436	1.8
211.11168	1.7
211.14708	4.5
213.12749	1.7
213.16383	5.3
215.10738	2.1
215.14299	2.8
215.17926	3.3
217.12260	4.1
219.13803	2.1
219.17308	0.8
221.13371	1.1
223.14978	0.9
225.12727	2.7
225.16321	0.9
227.14285	2.2
227.17889	1.6
229.12207	5.6
229.15866	1.5
229.19499	2.8
231.13748	1.1
235.13216	0.9
237.16344	1.5
239.14386	3.2
239.17949	5.9
241.15984	1.3
243.13773	3.9
243.20940	1.2
245.15411	1.5
247.13249	1.0
247.17068	0.8
253.19557	5.9
255.17415	2.1
257.15378	1.7
257.19019	9.7
259.16891	1.7
263.17880	1.5
271.20566	6.7
273.18503	2.7
275.20053	11.2
281.18924	7.6
289.21600	1.8
299.20062	43.2
300.20337	0.8
317.21115	100.0
318.21539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Bacillariolide I
Peak:m/z	Relative Intensity
55.05517	11.2
57.03429	3.4
59.04981	2.3
64.36999	2.1
65.03941	1.7
67.05508	26.7
69.03423	2.0
69.07077	15.6
69.35786	20.8
71.04992	3.2
75.51421	1.8
79.05489	8.3
81.07058	29.4
83.04975	3.3
83.08627	10.3
85.06554	7.3
91.05479	17.4
93.07049	27.0
95.04974	5.1
95.08047	3.2
95.08611	41.1
97.02913	5.0
97.06515	8.8
97.10159	2.6
98.20781	3.5
99.08116	2.0
105.07040	27.8
107.04937	3.5
107.08595	47.3
109.06522	5.7
109.10155	39.7
111.04452	21.6
111.08063	8.0
117.07030	7.1
119.08582	48.5
121.06484	3.8
121.10147	27.2
123.08058	9.0
123.11688	10.1
129.07059	3.0
130.07796	2.1
131.08585	9.3
133.06529	3.3
133.10143	33.9
135.08107	9.7
135.11699	11.4
137.05991	2.8
137.09612	20.1
137.13239	3.3
139.07544	2.6
142.07735	2.6
143.08551	6.0
145.10133	18.5
147.08052	8.1
147.11699	17.8
149.09688	2.3
149.13248	6.0
151.07597	2.5
151.11171	17.5
153.09079	2.4
155.08583	4.9
156.09364	3.1
157.10173	13.2
159.07974	2.0
159.11702	23.5
161.09592	4.9
161.13246	14.4
163.11188	3.0
163.14839	22.1
165.12808	2.2
167.10683	2.8
169.10126	6.7
170.10928	1.9
171.11679	8.8
173.09610	4.1
173.13226	10.2
175.11188	4.8
175.14848	4.9
177.12695	2.7
179.10654	4.3
181.10123	3.1
182.10931	2.8
183.11700	8.5
185.09872	1.9
185.13191	5.6
187.11234	11.0
187.14850	5.8
189.12621	3.4
189.16412	6.2
191.10718	4.0
193.12299	4.1
195.11708	2.7
197.09714	2.2
197.13310	6.8
199.11133	3.8
199.14867	4.0
201.12759	4.6
201.16376	6.4
203.10713	2.2
205.12210	5.3
205.15886	4.5
207.17404	2.7
211.14847	5.8
213.16414	4.5
215.10626	2.7
215.14397	2.0
215.17943	5.2
217.12323	4.0
219.13811	2.4
227.14406	2.5
227.17805	2.6
229.12276	6.4
229.15851	2.5
229.19502	4.2
231.13785	3.2
239.14217	2.0
239.17961	6.8
243.13861	6.0
245.15501	2.4
253.19533	6.5
257.15445	1.9
257.19003	11.9
259.17059	2.2
261.14828	3.2
263.17883	2.3
271.17114	2.6
271.20535	6.5
273.18524	4.8
275.20078	17.9
281.18985	13.4
289.21637	2.4
299.20050	52.2
300.20441	2.6
317.21121	100.0
318.21503	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	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01861	2.4
55.05513	9.1
57.03437	2.0
57.07061	3.7
58.01346	1.4
64.69569	1.5
65.03955	1.8
67.05508	24.6
69.03419	3.5
69.07077	11.6
70.72625	5.0
79.05493	10.5
80.78793	1.5
81.07061	28.2
83.04961	5.0
83.08611	4.3
85.06548	6.0
87.00211	1.5
91.05479	15.2
93.07049	22.8
94.07396	2.2
95.04971	7.1
95.08054	2.7
95.08614	37.0
97.02886	4.6
97.06543	8.4
97.10180	4.0
99.08081	2.7
105.07043	24.8
107.04932	2.8
107.08603	28.7
109.06509	7.7
109.10152	30.7
111.04449	13.5
111.08077	5.3
117.07008	7.8
119.08583	49.4
121.02888	2.6
121.06503	5.9
121.10155	22.9
123.08078	8.5
123.11706	7.1
125.06026	2.7
129.07034	2.2
131.08572	9.2
133.06447	2.4
133.09236	2.3
133.10150	26.2
135.08060	9.2
135.11699	8.3
137.09628	19.4
137.13223	1.9
137.55614	1.4
139.07561	3.3
142.07805	2.1
143.08546	7.0
145.06474	2.1
145.10124	16.0
147.08018	3.8
147.11713	20.0
149.09625	3.1
149.13286	4.5
151.07547	1.9
151.11188	11.2
155.08606	3.7
156.09314	2.3
157.10144	10.6
159.08051	3.2
159.11703	16.6
161.09663	4.2
161.13269	12.2
163.11185	2.8
163.14854	10.0
165.09195	2.8
165.12727	2.9
167.10611	2.0
169.10141	5.4
170.10818	2.8
171.11731	6.7
173.09634	2.8
173.13297	9.5
175.11180	4.7
175.14813	3.5
175.81758	1.5
177.12808	1.9
179.10641	1.6
181.12294	1.8
183.11771	7.8
185.09631	2.8
185.13248	5.4
187.11151	8.4
187.14801	7.4
189.12738	2.8
189.16383	5.2
191.10757	2.0
193.12193	4.5
197.13237	8.1
199.11082	2.6
199.14809	4.9
201.12839	3.2
201.16399	6.4
203.10625	2.8
205.12236	6.6
205.15872	4.5
211.11203	2.9
211.14841	3.0
213.12759	1.5
213.16364	4.4
215.10800	1.8
215.14240	2.7
215.17952	2.6
217.12288	3.8
219.13837	2.1
227.18198	1.6
229.04982	3.6
229.12263	4.4
229.19572	2.6
231.13551	1.6
239.17950	6.2
241.15701	1.6
243.13852	4.3
245.15126	1.6
253.19592	4.4
255.17235	2.6
257.04428	18.4
257.15442	1.9
257.19019	9.2
258.04846	2.4
259.17050	1.8
261.14804	1.8
271.20581	5.6
275.20090	9.3
281.19089	8.0
289.21634	3.7
299.20074	36.4
300.20602	3.4
317.06604	4.9
317.21124	100.0
318.21408	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	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01873	1.5
55.05508	7.3
57.03420	2.6
57.07056	2.0
65.03939	2.1
67.05231	1.1
67.05507	15.0
69.03416	5.4
69.07059	11.9
70.65702	3.6
71.04961	2.2
79.05492	8.4
81.03415	1.6
81.07055	29.1
83.04959	3.2
83.08612	6.5
85.02914	7.8
85.03349	1.4
85.06536	3.9
91.05468	15.2
93.07038	24.2
95.04940	6.8
95.08601	33.0
97.02876	4.2
97.06525	5.7
97.10174	2.1
98.03668	2.0
98.58022	1.2
99.04434	2.0
105.07023	25.0
107.04952	1.6
107.08588	35.4
108.08933	1.9
109.02868	1.7
109.06519	9.1
109.10150	22.1
111.04436	12.1
111.08089	3.8
111.11710	2.1
113.09660	1.3
115.03915	2.2
117.05439	1.5
117.06994	6.5
119.08582	40.4
121.06488	3.4
121.10130	20.1
123.08047	5.0
123.11701	7.0
125.05964	1.4
127.03909	1.9
129.07034	1.7
131.08562	12.0
133.06491	2.6
133.10124	23.4
135.08066	9.7
135.11679	9.3
137.09630	8.9
137.13243	7.3
139.07510	2.6
141.06973	1.6
142.07785	1.4
143.08557	8.1
145.04936	2.0
145.10121	13.2
147.08041	2.8
147.11673	13.6
149.09676	3.6
149.13268	5.0
151.07571	1.6
151.11179	7.8
151.12254	1.3
153.01828	2.2
155.08589	4.2
157.10098	11.4
159.08025	2.1
159.11673	16.0
161.09584	4.3
161.13295	8.4
163.06056	1.4
163.07483	1.9
163.11186	3.0
163.14783	6.5
165.09085	2.0
165.12766	3.5
167.10623	1.5
169.10155	5.0
171.11673	8.3
173.09627	2.8
173.13257	7.6
175.11200	3.7
175.14781	3.8
177.12811	2.2
183.11673	5.9
185.09552	3.1
185.13327	7.4
187.11253	6.2
187.14824	5.5
189.12749	2.2
189.16411	4.3
191.10651	1.9
191.14279	2.0
193.12349	2.3
195.11717	1.5
197.13287	5.3
199.14844	3.5
201.12801	3.3
201.16321	3.6
203.10710	1.7
203.14314	2.8
205.12216	4.9
211.11069	2.5
211.14819	3.4
213.16371	3.8
215.10573	2.1
215.17953	3.3
217.12299	2.5
219.13901	2.3
225.12833	1.7
225.16359	1.9
227.14240	1.7
227.18019	2.3
229.12288	2.7
229.15897	1.5
237.16516	1.5
239.14310	1.9
239.17984	4.3
243.13754	2.9
245.15524	2.1
253.19536	4.9
257.04544	3.6
257.15402	1.6
257.19049	5.1
271.20633	5.9
275.20041	8.7
281.19312	2.3
285.03848	2.3
289.21588	2.6
299.20065	27.6
300.20169	2.3
302.04224	4.3
317.06549	18.3
317.21124	100.0
318.06940	2.2
318.21509	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	317.2109
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
51.59740	1.2
53.03937	1.9
55.01873	1.5
55.05514	9.2
56.96565	8.2
57.03429	1.1
57.07064	2.9
59.04986	3.2
60.95845	3.6
65.03939	1.4
67.05181	1.5
67.05508	24.7
69.03430	3.6
69.07072	13.9
69.48374	2.6
69.48771	9.1
71.04976	3.8
79.05499	11.2
81.07065	21.4
82.04530	1.0
83.04973	4.5
83.08620	6.5
85.05829	0.9
85.06533	8.5
91.05479	15.2
93.07050	26.6
95.04961	5.1
95.08607	43.5
97.02879	3.7
97.06526	9.5
97.10169	4.6
98.97598	16.2
99.04439	1.1
99.08128	1.5
101.97218	1.6
102.96874	11.9
105.06381	1.9
105.07039	26.5
107.04952	3.5
107.07869	2.1
107.08596	36.5
109.06531	6.4
109.10160	34.3
111.04446	18.0
111.08081	6.3
116.98622	18.7
117.07050	6.2
117.98959	2.0
119.01904	2.4
119.08585	44.0
120.97907	15.7
121.06505	3.0
121.10147	21.9
123.08080	7.5
123.11711	8.9
125.05979	2.5
125.09615	3.4
129.07011	2.2
131.08572	10.9
133.06497	2.5
133.10135	29.7
133.11092	2.5
134.99654	23.3
135.08075	10.0
135.11705	9.9
135.99944	1.7
136.99249	1.4
137.02979	2.2
137.09619	20.5
137.13243	2.4
138.98946	24.3
139.07550	2.1
140.00171	3.2
141.06985	1.7
142.07762	2.5
143.08583	9.1
143.99461	3.3
144.09369	1.4
145.06479	1.2
145.10126	20.0
147.08012	3.6
147.11697	20.0
149.05978	1.4
149.09625	4.1
149.13260	3.7
150.96967	1.6
151.07471	2.6
151.11169	12.8
153.00691	4.4
153.09177	2.2
155.08554	4.5
156.09384	1.8
157.00009	5.2
157.10141	10.7
158.01289	6.0
159.08023	3.8
159.11696	17.8
161.09662	4.0
161.13243	11.3
162.00514	4.4
163.07578	2.3
163.11154	3.0
163.14803	13.1
165.09132	3.6
165.12834	1.9
167.10681	1.3
168.09384	2.0
169.10152	8.2
170.10829	1.5
171.08072	1.5
171.11725	9.4
173.09634	4.1
173.13245	10.4
175.11171	3.6
175.14830	5.9
177.09062	2.0
177.12669	2.0
179.10660	2.5
179.14360	1.8
181.10071	1.3
183.11626	7.3
184.12282	2.2
185.09622	2.4
185.13219	6.8
187.11168	9.2
187.14859	5.9
189.09018	1.6
189.16402	4.3
191.10645	4.2
191.14276	1.9
193.12209	1.9
195.11655	1.7
197.09650	1.4
197.13225	8.4
199.11156	3.7
199.14761	5.3
201.12715	4.0
201.16347	6.3
203.10660	1.9
203.14349	2.5
205.12233	6.5
205.15865	5.8
207.13747	1.7
207.17479	3.0
208.95993	1.6
209.13213	1.7
211.11200	3.0
211.14856	3.2
213.12752	2.2
213.16373	5.3
215.10754	2.4
215.14377	2.1
215.17990	4.1
217.12245	2.2
219.13780	2.5
219.17467	1.5
225.12799	2.0
227.14262	3.2
229.12158	5.4
229.15759	2.3
229.19501	3.4
231.13898	1.6
233.15379	2.3
237.16267	1.7
239.14261	2.7
239.17987	8.0
243.13768	5.5
243.21117	1.6
245.15410	2.3
250.89328	3.3
252.92712	2.4
253.19582	4.7
255.17406	3.0
257.15283	2.1
257.18979	13.1
259.16965	2.7
263.17743	1.3
270.93359	13.4
271.17419	1.5
271.20428	7.4
273.03705	1.3
273.18457	1.6
275.20111	14.9
275.90265	1.7
275.93832	1.6
276.93170	2.6
281.19019	9.2
288.91931	3.3
289.21472	1.7
292.94867	2.2
292.98099	1.6
293.94919	14.1
294.94089	21.9
299.20053	40.1
300.20422	4.3
302.04349	1.8
306.93121	2.8
311.96310	2.6
312.95245	12.2
316.96368	2.0
317.06406	6.3
317.21121	100.0
317.95648	6.7
318.21506	7.2
335.96890	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
54.84440	2.6
55.01875	3.0
55.05503	12.7
57.07084	4.6
67.05494	25.3
69.07072	14.9
70.05187	11.1
70.05600	5.6
79.05483	9.4
80.05791	3.0
81.07059	23.9
83.05004	5.3
83.08611	4.5
85.06531	10.4
86.00275	2.9
91.05480	14.4
93.07043	25.5
95.04957	5.1
95.08604	49.2
97.06544	6.6
98.21412	3.6
105.07034	28.1
107.02061	2.5
107.04932	2.9
107.08595	44.6
109.06514	6.2
109.10162	29.2
111.04430	17.4
111.08085	8.3
117.06994	9.2
118.81211	2.7
119.08578	58.1
121.06454	3.7
121.10128	23.9
123.08107	6.6
123.11688	12.3
129.06985	4.9
131.08595	16.8
133.10124	35.7
135.04472	3.2
135.08075	9.2
135.11700	13.8
137.05994	4.3
137.09579	17.6
142.07751	3.8
143.08548	9.0
145.10124	21.5
147.08014	5.6
147.11664	19.6
149.09615	4.4
149.13243	5.4
151.07518	3.6
151.11165	11.4
155.08528	6.5
157.10104	15.5
159.08023	5.0
159.11679	19.2
161.09691	4.1
161.13243	12.2
163.11162	4.1
163.14790	19.3
169.10143	11.0
171.11685	12.9
173.09624	8.2
173.13251	12.0
175.11198	5.1
175.14830	5.3
177.09120	10.6
183.11725	12.1
185.09584	5.1
185.13242	6.6
187.11179	7.3
187.14806	8.1
189.06979	3.6
189.09006	3.2
189.16351	8.6
191.10631	3.9
197.09622	3.4
197.13261	13.0
199.11281	4.2
199.14781	7.3
201.09186	3.4
201.12741	6.0
203.10643	7.0
205.12247	6.4
205.15817	4.1
207.17542	3.9
211.11185	5.4
211.14798	5.8
213.16420	5.3
215.10674	3.2
215.14203	3.9
217.12280	9.2
225.12674	6.8
229.12160	15.9
239.14334	6.5
239.17966	10.4
243.13905	8.4
245.15302	3.2
253.15837	6.4
253.19463	16.0
257.19006	9.7
263.17923	3.4
271.20590	6.9
275.20062	12.4
281.19064	22.3
288.48343	3.2
299.20050	91.3
300.20200	5.9
317.21109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Bacillariolide I
Peak:m/z	Relative Intensity
52.77628	1.5
55.01865	2.4
55.05515	9.0
57.03416	2.0
57.07068	3.4
57.58865	1.7
65.03938	1.7
67.05504	23.6
69.03413	2.2
69.07053	13.8
69.91267	3.5
69.91684	6.7
71.04993	2.1
79.05498	10.2
81.07052	24.7
83.04979	5.1
83.08614	5.8
85.06535	7.9
91.05480	13.4
93.07043	24.5
95.04961	4.0
95.08125	1.6
95.08603	41.1
97.02885	3.0
97.06530	10.8
97.10188	3.0
105.07027	25.2
107.04919	2.3
107.08592	31.3
109.06530	5.6
109.09468	2.2
109.10157	35.9
111.04429	19.4
111.08079	7.2
115.05514	2.1
117.07024	6.7
119.07728	1.4
119.08569	40.6
121.06508	5.5
121.10141	22.8
123.08059	7.3
123.11683	9.2
125.09625	3.7
126.68351	1.5
129.07013	4.5
131.08539	9.5
133.06514	2.6
133.10126	32.1
135.08054	9.6
135.11682	11.6
137.05934	1.7
137.09618	23.7
137.13249	2.3
139.07515	3.3
142.07782	2.8
143.08546	8.5
145.10110	16.1
147.08026	5.5
147.11690	20.9
149.09654	2.5
149.13260	3.4
151.07480	2.9
151.11180	11.7
155.08562	5.5
156.09271	1.9
157.10095	8.5
159.08075	4.1
159.11679	17.9
161.09608	6.2
161.13268	12.9
163.11160	3.4
163.14807	18.1
165.09094	1.7
165.12715	2.0
169.10162	4.9
171.11670	9.4
173.09612	3.3
173.13240	10.4
175.11185	4.3
175.14818	2.6
177.12758	1.9
179.10689	4.4
183.11655	7.5
185.09662	2.4
185.13255	5.8
187.11203	8.8
187.14844	5.2
189.09254	2.6
189.16422	4.8
191.14136	1.8
193.12199	4.0
197.13255	7.2
199.11217	2.9
199.14798	6.0
201.12753	4.3
201.16435	5.9
202.82826	1.8
203.10611	2.1
205.12260	6.4
205.15895	5.6
207.17412	2.1
211.11035	2.3
211.14799	3.8
213.16428	5.6
215.10768	2.0
215.14238	3.8
215.17941	4.3
217.12143	3.5
219.13770	4.9
225.12727	2.5
225.16447	1.7
227.14050	1.9
227.17905	1.7
229.12279	4.6
229.19516	3.1
231.13762	2.3
235.13071	1.9
239.17912	6.2
243.13737	4.9
245.15317	3.0
247.13399	1.9
253.19537	5.9
255.17455	2.3
257.15445	2.7
257.18951	11.9
259.16818	2.5
261.14871	2.1
271.17282	1.9
271.20496	9.5
273.18530	2.6
275.20065	15.9
281.18906	7.3
289.21561	3.8
297.62564	1.9
299.20032	47.1
299.23297	3.4
300.20532	2.4
317.21097	100.0
318.21448	5.1
326.76785	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03927	0.8
55.01856	0.5
55.05508	4.5
57.03421	1.0
57.07058	1.2
59.04994	0.5
65.03931	1.0
65.76054	0.5
67.05180	0.8
67.05506	10.8
69.03415	1.7
69.07069	5.2
70.09087	1.2
70.09505	1.5
71.04991	1.7
77.03909	0.6
79.05490	11.7
81.07059	15.6
83.04974	1.6
83.08599	2.1
85.02888	2.0
85.06543	1.3
91.05482	12.3
93.07047	20.4
95.04974	4.3
95.08607	21.8
96.08949	0.7
97.02878	0.9
97.06531	1.9
97.10149	1.2
103.05476	0.7
105.07030	19.2
106.07364	0.6
107.04942	1.3
107.08593	25.0
109.06516	9.9
109.10158	9.3
110.10506	0.6
111.04440	3.7
111.08079	1.6
115.05479	0.9
117.07005	4.8
119.08582	37.7
120.08977	0.7
121.02823	0.5
121.06509	1.7
121.09322	0.8
121.10153	10.8
121.14886	0.5
123.08080	3.3
123.11742	2.8
125.05981	2.0
128.06255	1.4
129.06990	2.5
130.07758	0.7
131.07605	0.7
131.08565	9.3
133.06523	0.6
133.10135	17.8
134.10468	0.7
135.04448	0.6
135.08055	7.4
135.11682	4.9
137.05986	1.2
137.09602	3.3
137.13278	1.1
139.07526	1.3
139.11182	0.7
141.06999	1.0
142.07780	1.6
143.08575	5.5
144.09341	1.1
144.23567	0.5
145.10120	15.8
146.10594	0.8
147.08041	1.0
147.11673	9.4
149.09618	2.9
149.13252	1.9
151.07571	1.3
151.11201	0.7
153.09090	0.7
155.08540	2.4
156.09360	1.3
157.10135	7.4
158.10944	1.0
159.08052	0.6
159.11691	13.1
160.12192	0.6
161.09644	2.2
161.13261	4.0
163.11177	2.1
169.10138	3.3
170.10904	1.0
171.11691	5.9
172.12524	1.2
173.09595	1.2
173.13231	5.7
175.11221	0.7
175.14857	1.8
177.09163	1.1
177.12790	0.5
179.10614	1.2
181.10132	0.9
182.10899	0.8
183.08038	0.6
183.11696	3.2
184.12314	0.7
185.09596	1.3
185.13271	2.8
186.13899	0.6
187.11151	3.0
187.14835	3.2
188.15398	0.8
189.09218	0.7
189.12804	1.0
189.16338	2.0
191.10645	1.9
193.12245	0.9
195.11661	1.0
197.09604	0.8
197.13248	4.1
199.11145	1.2
199.14832	4.1
201.12833	0.8
201.16414	3.6
203.10706	1.1
205.12154	2.4
207.11703	0.8
211.11215	1.2
211.14832	2.5
213.12834	0.9
213.16394	1.4
215.10629	1.2
215.14287	0.7
217.12277	1.2
217.15912	0.6
219.13928	1.2
225.12762	1.4
225.16367	0.7
227.18007	0.6
229.12131	2.4
231.13921	0.6
233.15384	0.7
239.14268	1.5
239.18024	2.3
241.16087	0.5
243.13850	2.7
253.19542	3.9
257.04465	2.7
257.15466	1.2
257.18961	0.7
263.17899	0.8
271.20544	1.4
281.19055	2.9
299.20059	14.1
300.20261	1.2
317.21112	100.0
318.21475	7.5
335.22070	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03947	2.0
53.69578	1.3
55.05515	10.5
57.07071	4.3
65.03933	2.2
67.05499	25.3
69.03414	2.3
69.07059	11.0
69.81911	10.7
70.06579	2.1
71.04971	7.1
79.05493	11.2
80.70601	1.5
80.84049	1.3
81.07058	26.4
83.04958	4.1
83.08617	5.0
84.89362	1.5
85.06541	9.2
88.07633	4.1
91.05470	17.1
93.07037	28.1
95.04945	6.3
95.08606	43.9
97.02882	2.5
97.06526	4.8
97.10150	5.3
98.20748	2.8
102.09164	1.8
105.07031	26.0
107.04951	2.1
107.08590	48.4
109.06502	6.4
109.10154	40.7
109.67769	1.6
111.04440	21.6
111.08099	4.4
117.07019	7.4
119.08581	43.5
121.06483	3.2
121.10144	25.4
123.08051	5.4
123.11670	8.6
125.06053	1.6
131.08566	12.4
133.06456	1.8
133.10139	32.3
135.08052	11.0
135.11707	9.7
137.05965	2.2
137.09612	16.5
141.06935	1.7
143.08530	6.4
145.06480	2.2
145.10135	17.7
147.08025	3.6
147.11711	16.6
149.09590	1.5
149.13246	4.4
151.07541	5.3
151.11169	17.8
155.08548	2.8
157.10135	11.0
159.08043	2.2
159.11684	17.2
161.09576	2.5
161.13281	8.8
163.11107	3.0
163.14818	33.5
165.12770	2.8
167.10735	2.3
169.10155	5.5
171.10379	1.5
171.11662	9.4
173.09598	5.5
173.13274	8.6
175.11298	4.2
175.14821	5.1
177.12782	3.6
178.13568	3.2
181.12271	2.0
182.10950	1.7
183.11746	7.8
185.13272	4.8
187.11172	11.1
187.14813	5.1
189.12840	2.6
189.16386	6.1
190.38658	1.4
191.10655	4.0
191.14265	2.9
193.12212	3.5
197.13275	6.0
199.11127	3.0
199.14804	4.6
201.09050	1.5
201.12650	4.2
201.16331	4.5
203.10640	2.5
205.12215	10.0
205.15898	6.4
207.17398	3.0
210.13930	1.7
211.11139	2.3
211.14720	4.4
213.16389	6.3
215.10724	3.0
215.14153	2.2
215.17926	5.9
217.12190	3.8
219.13832	2.4
225.12788	2.7
229.12242	6.6
229.15782	2.1
229.19460	3.6
231.13879	2.7
237.16330	2.2
239.17909	5.9
241.15686	1.9
243.13782	5.8
247.13232	3.2
253.19518	6.2
255.17426	1.8
256.26285	7.8
257.15323	1.8
257.16379	1.9
257.19009	18.4
271.05014	1.6
271.20508	8.0
273.18555	3.2
275.17194	2.4
275.20059	19.7
281.19067	9.0
289.21609	3.1
299.20059	48.6
300.20398	1.8
317.21100	100.0
318.21411	2.5
318.30017	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	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
51.22200	1.4
52.38354	1.4
55.05519	9.3
57.03432	1.9
57.07072	4.4
60.24547	1.3
65.03934	2.7
67.05172	2.0
67.05508	31.0
69.03416	3.4
69.07068	15.5
69.55708	5.9
69.56135	5.8
70.06587	3.6
70.99422	1.2
71.04991	3.9
71.08660	1.7
73.77922	1.3
79.05496	6.9
81.07061	26.1
83.04981	5.0
83.08616	6.6
85.06536	8.1
88.07626	4.0
90.84217	1.5
91.05492	14.8
93.03322	1.4
93.07050	27.1
95.04982	12.6
95.08614	46.8
97.02882	4.1
97.06537	8.9
97.10171	3.8
98.97559	1.8
105.07047	25.0
107.04953	3.0
107.08607	40.8
108.55917	1.6
109.06521	5.0
109.10162	41.3
111.04453	15.4
111.08099	4.7
112.69849	1.3
113.05995	3.7
113.29990	1.3
115.05505	1.7
117.07024	4.6
119.08592	43.2
121.06502	6.1
121.10152	22.7
123.08070	10.8
123.11707	10.6
125.09628	1.8
127.41875	1.4
129.07025	3.0
130.07860	1.9
131.08540	10.2
132.09178	1.3
132.10217	6.3
133.06578	3.3
133.10136	32.6
135.08046	10.1
135.11687	12.2
137.06052	1.8
137.09625	21.0
137.13235	2.5
139.07483	2.4
141.06989	2.7
142.07777	2.8
143.08577	8.1
145.10144	19.5
147.08055	6.0
147.11702	15.5
149.09647	4.9
149.13283	5.8
150.11237	3.0
151.07578	2.0
151.11186	9.2
153.09157	1.7
155.08519	4.0
156.09319	2.9
157.10165	12.8
159.08060	3.8
159.11720	16.9
160.12502	1.7
161.09624	7.3
161.13284	12.5
163.11230	3.8
163.14854	12.5
165.09103	1.5
165.12813	2.8
169.10135	5.9
170.10735	1.5
171.11729	8.2
173.09663	4.5
173.13286	11.1
175.11214	4.3
175.14867	4.5
177.00841	1.6
177.12761	3.6
178.13544	2.1
179.10741	1.9
181.12299	1.7
183.11693	7.8
185.09595	2.4
185.13245	3.6
187.11223	8.4
187.14864	3.9
188.11626	1.7
189.12746	3.5
189.16403	3.4
191.10715	2.5
193.12271	2.6
195.11713	2.6
197.13232	8.4
199.11232	3.4
199.14822	6.4
201.12784	4.6
201.16388	5.2
203.10753	2.2
203.14355	2.1
205.12195	7.9
205.15910	3.2
207.13780	1.8
207.17465	1.7
209.13304	2.2
211.11113	2.5
211.14900	3.8
213.12787	2.1
213.16348	5.0
215.10649	1.9
215.14352	3.3
215.17957	1.9
217.12355	4.4
225.16330	2.3
227.14313	2.2
229.12238	4.5
229.16034	1.9
229.19527	3.4
231.02893	1.7
231.13799	3.4
233.04523	1.8
233.15234	1.6
237.16422	1.9
239.14340	1.9
239.18034	7.0
241.15854	2.9
243.13885	3.6
253.19545	6.9
257.15448	2.5
257.19016	11.7
259.17078	2.2
261.14844	2.0
271.20569	8.3
273.18515	3.1
275.20148	13.5
281.18985	9.0
289.21768	2.8
293.15033	3.3
299.20062	40.6
300.20242	3.6
302.15573	1.8
317.21133	100.0
318.21423	8.1
318.30054	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	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03930	2.3
55.05502	7.0
57.03398	1.5
57.07069	3.0
59.05001	2.0
67.05510	14.2
69.03410	2.2
69.07079	8.8
71.01957	2.7
71.02296	1.7
71.04974	2.2
79.05479	7.5
81.07060	17.8
83.04950	2.7
83.08613	5.6
85.02901	2.4
85.06518	4.0
91.05480	10.3
93.07040	19.3
95.04968	8.2
95.08041	2.7
95.08604	26.7
97.02889	1.9
97.06510	4.6
98.03667	3.0
99.08049	1.7
105.07033	19.1
107.08592	35.8
109.06482	6.8
109.10149	21.8
111.04443	10.4
111.08058	2.9
113.05950	2.0
117.07016	4.5
119.08576	40.5
120.08887	2.9
121.02773	1.6
121.10146	15.7
123.08045	5.3
123.11709	7.2
125.05959	2.1
129.06979	3.0
130.07741	1.8
131.04858	1.5
131.08534	8.1
133.06490	2.8
133.10124	19.8
135.08051	7.9
135.11702	7.7
137.06021	1.5
137.09610	8.0
137.13216	2.0
142.07765	3.2
143.08549	5.1
145.10112	15.8
147.07990	3.9
147.11700	14.2
149.09634	3.0
149.13208	3.2
151.11185	5.0
153.01729	2.3
155.08553	1.9
156.09337	2.7
157.10152	8.8
159.08038	2.8
159.11711	18.7
161.09598	3.3
161.13197	7.7
163.11165	3.5
163.14815	3.5
165.09094	2.5
169.10123	6.0
170.10849	1.6
171.11690	5.8
173.09682	2.2
173.13234	5.7
175.11127	1.7
175.14819	1.8
177.09200	1.7
177.12933	1.8
183.11678	5.4
185.09718	1.9
185.13193	4.3
187.11150	4.6
187.14827	3.0
189.12700	1.9
189.16417	2.6
191.10651	1.7
191.14261	1.6
193.12231	2.5
197.13239	5.7
199.11176	1.9
199.14839	5.3
201.12758	2.3
201.16400	4.5
205.12213	3.1
205.15866	3.6
211.11282	1.6
211.14928	3.1
215.14272	1.9
217.12233	3.1
219.13766	2.1
225.12668	2.8
229.05078	1.6
229.12213	3.1
229.15880	1.9
229.19516	2.0
231.13689	1.5
239.17975	4.6
243.13805	3.0
253.19537	6.2
257.04520	4.8
257.18884	6.5
259.17102	1.6
271.20581	5.4
275.20187	2.8
281.19031	4.1
299.20020	23.4
300.20377	3.5
302.04175	3.5
317.06488	14.8
317.21103	100.0
318.21375	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	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03935	2.2
55.05509	7.9
57.03416	1.3
65.03954	1.9
67.05506	14.3
69.03412	2.2
69.07072	9.4
69.90227	3.3
69.90636	2.4
71.04961	1.2
79.05492	10.4
81.03387	1.4
81.07064	21.0
83.04976	2.6
83.08620	3.3
85.02898	1.8
85.06539	4.2
91.05482	15.0
93.07055	18.1
94.06094	1.1
95.04974	5.3
95.08608	26.6
97.02911	2.9
97.06537	4.8
97.10164	2.1
98.03679	2.0
105.07043	22.6
107.04959	2.2
107.08599	33.2
109.06509	6.8
109.10165	19.1
111.04451	11.0
111.08104	3.0
113.09648	1.5
117.07047	3.8
119.08590	40.4
120.08876	1.4
121.02846	1.4
121.06490	2.2
121.10150	13.8
123.08081	3.9
123.11738	6.1
125.09639	1.6
129.06972	2.2
130.07722	1.6
131.08571	9.8
133.06502	1.7
133.10141	22.0
135.08073	8.9
135.11736	4.6
137.05949	2.4
137.09665	7.9
137.13293	1.5
139.07605	1.5
142.07782	2.0
143.08601	5.4
144.09377	1.8
145.10135	14.1
147.08052	1.7
147.11690	11.8
149.09605	4.1
149.13268	2.1
151.11252	5.9
155.08618	3.5
155.21400	1.1
156.09413	1.4
157.10155	10.1
158.10843	1.3
159.08058	2.8
159.11707	14.8
161.09631	3.2
161.13246	9.0
161.43985	1.2
163.11209	1.3
163.14828	6.3
165.09163	1.5
167.10716	1.6
169.10127	4.3
171.11765	6.7
173.09653	2.2
173.13275	6.8
175.11159	2.7
175.14847	2.1
177.09059	1.5
177.12756	1.5
179.10635	1.3
181.12190	1.2
183.11696	6.5
185.09653	2.0
185.13280	4.6
187.11203	5.4
187.14822	4.9
189.12778	3.0
191.10704	1.6
191.85924	1.3
193.12373	1.5
195.11674	1.5
197.13306	5.4
199.11171	1.9
199.14764	3.6
201.12770	3.1
201.16403	4.3
203.10561	1.5
205.12248	3.7
205.15875	2.2
206.48911	1.1
207.11711	1.5
209.13274	1.7
211.11346	1.8
211.14815	3.8
213.12828	1.4
213.16367	3.8
215.14319	2.2
215.17906	1.9
217.12277	2.9
219.13750	2.6
229.12321	3.2
229.15874	1.3
239.14331	2.6
239.18002	3.8
241.15935	1.5
243.13858	3.2
245.15219	1.2
253.19476	4.0
255.17619	1.4
257.04483	18.4
257.19067	5.2
259.16940	1.7
271.20493	5.2
275.20084	5.5
281.18973	4.2
289.21561	1.4
299.17120	1.2
299.20050	23.9
300.20374	1.7
317.06650	2.7
317.21130	100.0
318.21500	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03939	3.7
54.07959	2.0
55.05513	16.3
57.07071	3.7
60.04822	2.0
63.89911	2.3
65.03951	2.6
67.05508	31.7
68.53511	1.9
69.07076	19.5
69.62674	12.4
71.04998	5.4
79.05511	13.2
81.03445	2.1
81.07063	34.0
83.04964	4.8
83.08607	7.3
85.06542	12.0
88.72463	2.0
91.05482	22.9
93.07052	37.3
95.04970	8.4
95.08057	4.2
95.08615	58.4
96.08932	2.7
97.02878	3.8
97.06549	12.3
97.10179	6.5
98.21465	4.8
105.07038	33.1
107.04976	3.1
107.08598	56.1
109.06530	8.9
109.10158	49.2
111.04455	26.1
111.08087	10.0
111.46824	2.2
113.09631	2.4
117.07011	9.6
119.08585	53.5
121.06483	4.8
121.10139	29.7
123.08106	11.7
123.11713	14.2
125.09672	2.5
129.06982	4.6
131.08588	11.4
133.06503	4.4
133.09248	3.2
133.10153	43.5
135.08067	13.0
135.11693	17.5
137.09625	31.3
137.13246	3.7
139.07578	3.0
142.07814	3.4
143.08589	11.2
145.10118	23.1
147.08080	4.6
147.11722	23.5
149.09621	3.9
149.13297	7.5
151.07503	2.5
151.11163	16.0
153.09149	2.2
155.08582	5.4
156.09402	3.8
157.10136	11.9
159.08078	6.6
159.11707	23.0
161.09651	4.9
161.13269	15.5
163.11229	3.4
163.14842	21.3
165.09082	2.9
165.12804	2.6
167.10680	2.4
169.10106	8.3
171.11708	9.2
173.09607	6.3
173.13310	12.1
175.11206	3.8
175.14900	5.9
179.10698	3.4
181.10071	2.4
183.11731	9.8
185.09624	3.2
185.13295	8.2
187.11177	10.0
187.14798	8.8
189.12750	3.7
189.16368	5.9
191.10661	4.0
195.11746	2.9
197.13257	8.6
199.11224	4.7
199.14819	6.5
201.12761	5.2
201.16359	6.0
203.10651	4.0
205.12263	9.4
205.15894	4.8
209.13266	3.1
211.14873	3.6
213.16365	6.3
215.10739	3.0
215.14349	3.9
215.17973	4.6
217.12276	2.6
219.13878	3.8
225.12701	2.9
227.14293	2.4
229.12334	7.2
233.15285	3.1
239.14349	4.1
239.17986	9.9
243.13791	7.0
245.15244	2.6
253.19514	9.1
257.18997	15.2
261.14944	2.5
271.20581	11.1
275.20038	15.6
281.18939	6.7
299.20041	47.3
300.20322	3.7
317.06647	5.0
317.21130	100.0
318.21439	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	317.2111
Annotation	Bacillariolide II
Peak:m/z	Relative Intensity
55.01863	2.4
55.05515	9.6
57.03428	2.4
57.07061	3.7
65.03932	2.8
67.05495	21.1
69.03426	1.8
69.07071	16.0
70.64948	6.0
71.04987	3.5
79.05499	10.9
81.07059	27.1
81.86807	1.6
83.04974	4.0
83.08608	5.4
85.06548	7.4
91.05481	13.2
93.07044	28.2
95.04960	3.5
95.08608	38.9
97.02879	2.6
97.06535	9.3
97.10178	4.5
105.07026	25.1
107.04876	1.5
107.08588	36.9
109.06518	5.7
109.10154	37.7
110.10422	2.3
111.04435	19.8
111.08092	5.1
117.06998	6.0
119.08582	47.3
121.06507	2.6
121.10142	22.4
123.08050	7.5
123.11711	11.8
129.07053	2.2
130.07716	2.0
131.08562	9.9
133.06470	3.6
133.10123	28.4
135.08073	10.7
135.11702	11.6
137.05981	3.2
137.09624	24.9
137.13210	3.8
139.07545	1.5
139.11172	2.0
142.07835	1.5
143.08643	7.3
144.09254	1.6
145.10117	16.0
146.10471	1.4
147.08040	5.2
147.11691	19.8
149.09608	2.9
149.13243	4.3
151.07639	1.8
151.11177	14.2
153.09154	2.0
153.53033	1.5
155.08589	2.7
156.09331	1.8
157.10139	9.2
159.08067	3.4
159.11676	19.1
161.09644	3.7
161.13268	11.1
163.11159	2.8
163.14799	18.4
165.09186	2.8
165.12688	2.0
169.10155	6.1
171.08121	2.3
171.11687	10.1
173.09673	1.6
173.13283	10.4
174.13634	1.7
175.11150	2.6
175.14851	4.5
177.12735	2.5
178.13553	1.6
179.10641	4.1
181.12314	1.7
183.11649	7.8
185.09660	1.5
185.13263	4.4
187.11212	9.4
187.14749	7.3
189.12689	1.9
189.16417	5.3
190.16727	1.5
191.10713	3.7
193.12315	3.4
195.11705	2.6
196.12404	1.6
197.13275	6.9
199.11177	3.6
199.14821	5.4
201.12703	5.2
201.16389	4.4
203.10660	2.0
203.14209	1.8
205.12247	6.0
205.16002	7.2
207.13655	1.8
207.17451	3.4
211.14818	4.0
212.11972	1.9
213.16440	5.6
215.10629	3.6
215.14383	2.2
215.17929	5.1
217.12309	3.1
219.13811	2.0
225.12691	3.3
227.14351	2.1
227.17651	1.6
229.12280	6.4
229.19551	3.2
231.13609	2.1
233.15202	2.7
237.16389	1.9
239.14328	2.4
239.17964	6.9
241.15944	2.4
243.13847	8.2
245.15350	2.2
253.19510	5.6
257.15308	2.2
257.19000	11.6
261.14792	2.3
263.17862	2.0
271.20477	7.2
275.20065	18.9
276.20456	1.9
281.18890	9.7
289.21509	3.5
299.20056	48.7
300.20395	4.1
317.21115	100.0
318.21384	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	317.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01876	2.7
55.05512	7.8
57.03438	4.6
57.07078	3.9
61.02924	2.7
65.03948	1.8
67.05507	17.0
68.99796	3.3
69.03426	9.0
69.07069	12.3
69.58117	11.1
71.04994	3.9
72.25594	1.5
73.02925	1.8
79.05493	14.5
81.03426	3.3
81.07059	98.0
83.04990	4.7
83.08618	3.6
85.02911	51.7
85.03432	2.4
85.06541	4.8
87.04447	1.6
91.05476	13.2
93.07039	21.2
95.04970	6.3
95.08611	32.5
97.02893	13.2
97.06533	5.4
97.10187	2.9
99.04471	1.8
99.08146	1.7
103.03981	1.5
105.07032	21.3
107.08608	28.6
109.02902	5.3
109.06533	6.8
109.10151	20.2
110.96234	1.3
111.04439	11.9
111.08066	4.7
115.03955	2.5
117.07057	3.9
119.07788	2.9
119.08591	32.5
121.02874	20.9
121.06548	4.5
121.10143	16.2
123.08083	5.3
123.11728	6.2
125.05994	2.3
125.09602	2.0
127.03929	13.7
129.05504	2.8
129.07045	2.4
131.08575	8.7
133.06483	2.6
133.10127	24.3
133.36792	1.4
135.08035	7.0
135.11688	12.7
137.06007	1.7
137.09636	12.1
137.13258	31.6
139.07549	1.9
141.06969	2.4
142.07816	3.1
143.08549	6.9
145.04984	12.8
145.06482	2.8
145.10117	15.0
146.10838	1.7
147.08054	4.6
147.11681	14.0
149.09639	2.0
149.13261	6.5
151.11163	9.1
153.01825	2.7
155.08522	3.2
157.10159	8.0
159.11700	15.7
161.05986	3.2
161.09653	3.5
161.13297	11.0
163.03951	1.4
163.06029	10.2
163.07329	1.7
163.11215	2.5
163.14786	7.2
165.09166	2.4
165.12804	2.1
167.10806	1.7
169.10170	5.1
171.08037	1.7
171.11690	4.7
173.09659	3.8
173.13268	10.6
175.11195	3.9
175.14859	2.8
177.09111	1.7
177.12839	2.5
183.11728	6.4
185.09694	2.3
185.13281	5.4
187.03908	2.7
187.11198	6.7
187.14873	4.0
189.12776	4.5
189.16408	5.0
191.10674	2.3
191.14325	2.4
195.11821	1.8
197.13307	5.0
199.11200	1.8
199.14720	3.8
201.05336	1.4
201.12749	3.3
201.16464	2.7
203.10625	1.9
205.12268	4.9
205.15884	4.1
211.14857	3.3
213.16408	1.8
215.10777	1.5
215.14406	1.8
215.18063	1.9
217.12407	1.7
219.13885	1.6
221.15340	2.8
223.02487	2.3
225.12753	1.8
227.14374	2.3
229.04942	10.1
229.12317	3.3
229.15947	1.8
239.14346	1.9
239.17967	4.0
243.13609	1.8
245.15506	3.3
253.19606	3.9
257.04449	100.0
257.19086	7.8
258.04816	9.0
263.16290	2.0
271.20590	4.3
275.20065	7.7
281.19104	5.0
289.21716	1.6
299.20139	29.3
302.04163	6.7
317.06558	29.5
317.10080	2.3
317.21164	60.5
318.06964	3.1
318.21591	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01876	2.7
55.05512	7.8
57.03438	4.6
57.07078	3.9
61.02924	2.7
65.03948	1.8
67.05507	17.0
68.99796	3.3
69.03426	9.0
69.07069	12.3
69.58117	11.1
71.04994	3.9
72.25594	1.5
73.02925	1.8
79.05493	14.5
81.03426	3.3
81.07059	98.0
83.04990	4.7
83.08618	3.6
85.02911	51.7
85.03432	2.4
85.06541	4.8
87.04447	1.6
91.05476	13.2
93.07039	21.2
95.04970	6.3
95.08611	32.5
97.02893	13.2
97.06533	5.4
97.10187	2.9
99.04471	1.8
99.08146	1.7
103.03981	1.5
105.07032	21.3
107.08608	28.6
109.02902	5.3
109.06533	6.8
109.10151	20.2
110.96234	1.3
111.04439	11.9
111.08066	4.7
115.03955	2.5
117.07057	3.9
119.07788	2.9
119.08591	32.5
121.02874	20.9
121.06548	4.5
121.10143	16.2
123.08083	5.3
123.11728	6.2
125.05994	2.3
125.09602	2.0
127.03929	13.7
129.05504	2.8
129.07045	2.4
131.08575	8.7
133.06483	2.6
133.10127	24.3
133.36792	1.4
135.08035	7.0
135.11688	12.7
137.06007	1.7
137.09636	12.1
137.13258	31.6
139.07549	1.9
141.06969	2.4
142.07816	3.1
143.08549	6.9
145.04984	12.8
145.06482	2.8
145.10117	15.0
146.10838	1.7
147.08054	4.6
147.11681	14.0
149.09639	2.0
149.13261	6.5
151.11163	9.1
153.01825	2.7
155.08522	3.2
157.10159	8.0
159.11700	15.7
161.05986	3.2
161.09653	3.5
161.13297	11.0
163.03951	1.4
163.06029	10.2
163.07329	1.7
163.11215	2.5
163.14786	7.2
165.09166	2.4
165.12804	2.1
167.10806	1.7
169.10170	5.1
171.08037	1.7
171.11690	4.7
173.09659	3.8
173.13268	10.6
175.11195	3.9
175.14859	2.8
177.09111	1.7
177.12839	2.5
183.11728	6.4
185.09694	2.3
185.13281	5.4
187.03908	2.7
187.11198	6.7
187.14873	4.0
189.12776	4.5
189.16408	5.0
191.10674	2.3
191.14325	2.4
195.11821	1.8
197.13307	5.0
199.11200	1.8
199.14720	3.8
201.05336	1.4
201.12749	3.3
201.16464	2.7
203.10625	1.9
205.12268	4.9
205.15884	4.1
211.14857	3.3
213.16408	1.8
215.10777	1.5
215.14406	1.8
215.18063	1.9
217.12407	1.7
219.13885	1.6
221.15340	2.8
223.02487	2.3
225.12753	1.8
227.14374	2.3
229.04942	10.1
229.12317	3.3
229.15947	1.8
239.14346	1.9
239.17967	4.0
243.13609	1.8
245.15506	3.3
253.19606	3.9
257.04449	100.0
257.19086	7.8
258.04816	9.0
263.16290	2.0
271.20590	4.3
275.20065	7.7
281.19104	5.0
289.21716	1.6
299.20139	29.3
302.04163	6.7
317.06558	29.5
317.10080	2.3
317.21164	60.5
318.06964	3.1
318.21591	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01871	4.4
55.05508	12.5
57.03434	7.4
57.07067	4.8
59.04998	3.7
61.02923	3.7
62.30742	2.2
65.29530	2.1
67.05514	20.1
69.03407	11.3
69.07068	26.3
71.01364	3.5
71.04981	5.5
71.59289	2.4
77.14618	1.9
79.05499	16.8
81.03395	6.0
81.07059	100.0
83.04971	8.6
83.06106	7.1
83.08617	8.8
84.01488	2.1
85.02906	31.8
85.03381	3.5
85.06537	14.7
91.05481	16.4
93.07036	38.8
95.04966	8.3
95.08607	55.1
95.09165	4.0
97.02890	10.1
97.06536	12.4
97.10153	2.9
99.04430	2.9
99.08088	21.0
103.03947	5.1
105.07033	32.5
107.08591	45.6
108.08901	2.4
109.02886	4.0
109.06519	9.7
109.10163	33.9
111.04445	14.1
111.08105	15.7
111.11720	5.8
115.03922	4.3
117.07037	9.5
119.08577	36.4
121.06511	5.9
121.10168	22.1
123.08083	8.1
123.11713	12.3
125.09612	3.7
127.03938	9.4
128.06247	2.9
129.07011	4.8
131.08582	13.4
133.04938	4.0
133.06441	2.1
133.10141	25.2
135.08029	10.4
135.11687	16.5
137.05992	3.7
137.09634	14.8
137.13257	22.8
139.07521	3.2
139.11176	2.7
141.31200	2.1
142.07776	3.7
143.08559	8.4
145.04971	5.0
145.10109	16.2
147.08008	5.9
147.11707	21.1
149.09682	3.8
149.13248	8.9
151.11180	8.0
151.86887	2.1
153.12723	11.7
155.08575	5.3
155.14296	8.4
156.09346	2.4
157.10155	9.4
159.08046	3.7
159.11671	15.8
161.09592	4.0
161.13274	18.3
163.06059	3.0
163.14859	12.3
165.09155	3.4
165.12796	15.7
167.14334	5.8
169.10173	4.5
171.11681	7.9
173.09563	2.4
173.13338	8.7
175.11264	4.3
175.14859	4.3
177.12726	6.6
179.10779	3.0
179.14345	6.2
183.11722	6.8
185.13289	5.2
187.11195	7.5
189.12746	4.8
191.14285	4.6
195.10199	3.8
197.13290	3.8
199.11102	2.8
199.14842	4.1
201.12750	5.0
203.14333	5.1
205.12302	5.4
205.15930	3.0
207.17209	2.2
209.13461	2.6
209.15262	4.4
211.14780	3.8
213.11092	2.3
217.12262	2.7
221.15372	6.6
227.14392	3.7
229.12244	2.6
233.15495	2.9
239.18004	4.6
245.15407	6.6
253.19673	2.3
257.04483	4.4
257.18979	5.7
260.61804	2.2
263.16425	12.4
271.20578	8.4
275.19992	10.0
281.17575	9.7
286.11801	2.1
299.20288	25.1
302.04449	3.5
317.06650	6.1
317.21231	59.4
328.04510	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01879	1.0
55.05507	2.3
56.05038	0.7
56.96561	6.8
57.03434	2.2
60.04496	0.7
61.01146	1.8
61.02922	1.3
67.05494	1.1
69.03430	6.7
69.07075	1.8
70.06586	2.5
70.44427	2.6
71.04994	0.9
72.08155	5.8
73.02917	1.9
73.06558	1.5
74.02446	4.4
75.05595	0.7
79.05508	0.9
81.03426	2.1
81.07073	0.9
83.06064	0.8
84.04533	4.1
84.08145	8.0
84.96024	0.8
85.02910	10.1
86.03259	1.1
86.09708	100.0
87.04453	1.3
87.05592	13.0
87.10049	1.0
88.03986	1.9
91.05497	1.7
93.07033	1.5
95.08617	1.4
96.04543	0.8
97.02885	6.1
98.06036	0.7
98.21500	0.8
98.97582	5.9
99.04432	1.1
101.07137	1.1
105.07042	1.4
107.01672	0.8
107.04905	0.7
107.08600	1.9
109.02885	1.2
109.10194	1.5
110.06061	0.7
110.07230	0.5
111.04437	1.1
115.03921	0.8
116.03463	2.1
116.07053	0.7
116.98610	5.8
118.08706	1.2
119.01920	1.6
119.08588	2.6
121.06541	1.0
125.06941	0.9
127.03925	6.1
128.98621	2.4
129.10239	4.3
130.05020	4.2
131.00128	0.7
133.06091	52.6
133.10104	1.7
134.06470	0.8
134.99689	3.5
135.08012	0.7
137.06009	0.9
137.09639	1.2
137.13518	0.7
138.05508	6.5
143.11804	2.3
145.05025	1.5
146.04100	1.0
146.99651	2.1
147.03313	1.0
147.04433	2.2
147.07622	5.3
147.11458	0.6
149.01234	0.7
155.04669	9.1
155.08165	0.9
155.54918	0.7
156.06548	4.8
157.13365	49.7
158.13748	1.4
158.99651	3.0
161.01236	1.2
161.13312	0.6
163.02733	0.8
164.05225	4.0
164.55455	1.1
165.00650	0.8
165.04271	1.0
166.55441	1.3
170.99709	0.7
171.11317	0.7
172.95255	2.2
173.02739	0.8
175.10815	0.7
177.00755	4.6
185.12854	21.8
186.13348	0.8
189.04369	1.0
190.96317	1.5
201.00752	2.0
214.96326	0.9
215.07674	0.8
218.06227	1.3
219.01872	3.2
227.06746	16.2
227.56963	2.2
228.13380	0.8
229.11928	1.1
231.05637	0.7
236.07291	10.3
236.57498	1.8
237.02838	4.1
243.13832	0.8
246.14577	2.7
291.07590	1.5
299.16895	0.7
299.20108	0.9
299.67224	0.7
300.15640	0.8
309.08572	6.8
310.08939	1.0
317.06479	1.4
317.12177	6.0
317.18161	1.3
317.21579	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	317.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33061	0.9
55.05510	1.0
58.06596	7.5
59.07373	1.2
67.05515	1.0
69.07092	0.6
70.10458	2.7
74.09724	32.0
79.05506	0.6
81.07063	1.2
85.02891	0.8
91.05485	1.4
93.07051	1.3
95.08588	2.3
97.06508	1.2
105.07045	1.5
107.08593	2.4
109.10161	2.5
111.04444	1.4
118.08644	1.0
119.08583	2.9
133.10135	1.5
136.94070	0.9
145.10132	1.7
147.11690	1.7
156.08737	0.9
158.06648	3.0
159.11702	1.9
165.23027	0.6
174.09781	6.3
176.07703	16.9
176.31403	0.7
191.88826	0.8
194.08862	1.0
200.07700	55.3
201.07739	3.3
209.39207	0.8
218.08765	88.7
219.08932	4.5
241.10268	3.4
243.11963	0.9
257.19025	0.9
261.12985	4.0
273.16568	6.3
274.10074	1.5
299.20154	1.8
307.22858	0.8
317.15601	100.0
317.20828	3.9
318.09595	1.2
318.15775	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05519	3.4
57.03459	0.7
57.07079	1.1
59.04972	0.7
65.03938	0.6
67.05506	7.9
69.03429	1.7
69.07063	6.9
69.43105	5.0
69.43525	1.7
70.06589	1.0
71.04996	1.5
72.08151	1.9
73.08459	0.7
79.05470	4.0
81.03416	1.2
81.07066	8.1
83.04982	1.4
83.08614	2.0
85.02908	2.3
85.06534	2.7
86.09730	4.7
87.10033	1.8
90.04289	0.6
91.05485	5.0
93.07050	9.5
95.04969	2.0
95.08608	12.9
97.02883	2.2
97.06534	3.0
97.10228	0.7
98.20788	1.5
99.04478	0.9
105.07043	8.4
106.86420	0.7
107.04967	1.4
107.08600	12.3
109.06502	3.2
109.10159	12.7
109.10839	1.2
111.04446	6.0
111.08080	3.0
113.09624	0.9
116.07135	1.7
117.06975	1.3
119.08591	15.2
121.06493	2.4
121.10143	6.3
123.08060	2.0
123.11724	3.9
125.05948	1.4
125.42133	0.7
127.03902	0.8
129.07010	1.1
131.08589	4.5
133.06493	1.0
133.10118	10.3
135.08069	2.8
135.11685	2.7
137.05966	1.6
137.09647	6.2
137.13261	1.9
139.07585	1.0
141.06943	0.7
143.08565	2.8
145.10123	5.9
147.04375	0.7
147.07870	0.8
147.11719	6.0
149.09673	1.0
149.13293	1.5
151.07545	1.5
151.11185	5.5
153.09178	0.7
154.08633	0.8
155.06789	10.1
155.08600	1.8
157.10173	3.5
159.08080	1.3
159.11687	6.5
161.09607	1.1
161.13261	4.4
163.07550	1.0
163.11188	1.5
163.14830	5.0
169.10101	1.5
171.11740	3.1
172.95290	0.7
173.09660	1.8
173.13194	3.3
175.11215	1.1
175.14783	1.2
179.10667	0.8
183.11742	1.9
185.04219	7.9
185.09604	0.9
185.13286	2.0
187.09732	0.7
187.11145	3.8
187.14853	1.8
189.12761	1.2
189.16400	1.1
191.10684	1.2
193.12399	0.8
195.11749	1.2
197.13281	2.2
199.14789	2.5
201.12804	0.8
201.16452	1.1
203.05313	3.8
205.12236	2.5
205.15871	1.4
211.14838	1.4
213.16335	1.5
214.96255	1.1
215.10791	1.0
215.17958	1.8
217.12323	1.0
227.14578	0.8
229.12248	1.6
233.15443	0.9
237.16496	1.1
239.14253	1.0
239.17982	2.0
241.16141	0.7
243.13799	2.2
253.15828	0.9
253.19574	2.0
255.21222	0.8
257.15335	0.7
257.19095	3.8
261.14960	1.0
271.20743	1.8
273.18423	1.0
275.19992	6.1
281.18967	3.1
287.10312	3.1
299.10388	1.9
299.20047	14.9
317.12085	100.0
317.15009	4.1
317.21082	34.0
318.12662	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.6
57.03453	0.5
59.32020	0.4
60.13111	0.4
67.05470	0.6
69.03420	1.9
69.07043	1.3
70.06567	1.1
70.90210	1.4
72.08138	1.3
76.50501	0.5
77.15768	0.4
79.05511	0.6
81.03383	0.6
81.07043	0.7
83.04955	0.5
84.08113	0.8
85.02904	2.8
86.09691	2.5
87.10033	1.1
91.05479	0.6
93.07043	0.9
95.08595	1.5
97.02876	1.3
97.06502	0.7
98.97564	0.7
105.07013	1.0
107.04958	0.7
107.08559	1.0
109.02872	0.6
109.06542	1.1
109.10152	1.5
111.04398	0.6
116.07095	1.6
117.07445	0.9
119.08572	1.4
121.06519	0.7
123.08091	0.5
127.03915	1.7
133.10121	0.8
135.11722	0.6
137.05914	1.0
137.09581	1.0
145.10197	0.7
147.11700	0.5
155.06813	11.1
160.72049	0.4
172.95198	0.5
174.13226	0.6
177.05432	0.6
185.04219	9.3
203.05251	4.4
268.10306	0.5
287.10126	2.2
289.11682	0.5
299.10144	2.1
299.19922	0.8
300.10004	0.5
317.12064	100.0
317.21228	1.9
318.12430	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89899	0.4
55.05513	0.5
61.02932	0.5
67.05493	1.0
67.06432	0.4
69.03424	1.2
69.07062	1.3
70.06581	2.0
71.41196	0.9
72.08160	0.8
72.18609	0.4
79.05482	0.6
81.03421	0.9
81.07039	1.8
83.04968	0.6
84.04498	0.7
84.08153	0.8
85.02919	2.4
86.09708	2.2
86.58423	0.4
87.10051	0.6
91.05463	1.1
93.07043	1.6
95.08604	1.4
97.02906	1.4
97.06524	0.5
97.73318	0.5
105.07034	1.4
107.04943	0.6
107.08601	1.3
109.02917	1.0
109.06522	0.5
109.10144	1.1
111.08153	0.5
116.07086	1.6
119.08586	1.4
121.06544	0.5
121.10197	0.5
127.03936	1.1
133.10106	1.0
137.06003	1.2
137.09604	0.8
147.04388	0.8
155.06801	10.9
159.11685	0.7
185.04234	7.8
203.05302	4.3
253.19563	0.5
257.34592	0.4
287.10233	1.2
299.10272	2.5
299.20001	1.1
317.12082	100.0
317.21207	2.6
318.12476	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Oryzafuran
Peak:m/z	Relative Intensity
55.01857	0.3
55.05502	0.3
57.03416	0.2
57.07068	0.3
58.70443	0.1
65.03932	0.3
67.05517	0.7
68.99794	2.3
69.03411	0.6
69.07046	0.6
70.67808	0.3
70.68176	0.3
71.04975	0.2
74.37407	0.1
79.05473	0.6
81.03413	0.2
81.07056	3.1
83.04961	0.3
83.08619	0.2
85.02898	1.3
85.06533	0.3
91.05463	0.5
93.07043	1.1
94.70528	0.1
95.04960	0.4
95.08620	1.6
97.02903	0.4
97.06518	0.5
99.04445	0.2
102.12438	0.1
103.05375	0.2
105.07024	1.4
107.04966	0.2
107.08602	1.2
109.02859	0.4
109.06509	0.4
109.10157	0.9
110.83395	0.2
111.04438	1.0
115.05439	0.2
117.06992	0.9
119.08607	1.2
121.02866	18.3
121.10130	0.7
123.08039	0.5
123.11714	0.3
124.44362	0.1
125.09660	0.1
127.03887	0.4
127.33136	0.1
128.06200	0.2
128.34970	0.2
129.06967	0.3
131.04900	0.7
131.08583	0.7
133.06485	0.5
133.10164	0.9
135.08043	0.4
135.11681	0.5
137.02303	0.2
137.05975	0.3
137.09621	0.4
137.13266	0.5
143.08539	0.4
145.04889	0.2
145.06482	1.0
145.10123	0.7
147.04436	0.3
147.08054	0.3
147.11668	0.6
149.09552	0.2
149.13297	0.2
151.11147	0.2
153.01857	0.6
155.04915	0.4
156.09370	0.2
157.06493	0.4
157.10135	0.5
159.04430	0.5
159.11671	0.7
161.05975	2.5
161.09544	0.2
161.13264	0.4
163.00259	0.3
163.03911	0.2
163.06017	0.3
163.11211	0.2
169.10205	0.2
171.03040	0.2
171.11716	0.5
173.06001	1.8
173.09593	0.3
173.13266	0.3
177.12733	0.1
181.01295	0.5
183.04402	0.2
183.11707	0.4
185.13257	0.3
187.03928	2.0
187.11188	0.2
187.14787	0.2
193.12471	0.2
195.02869	0.2
197.13280	0.2
201.05457	0.7
201.12708	0.2
201.16389	0.2
209.00948	0.9
211.14815	0.2
213.05458	0.3
213.16406	0.1
215.03416	0.3
217.05002	0.2
223.02370	2.5
225.13014	0.2
229.04967	8.1
239.17867	0.3
240.04131	0.3
253.19485	0.2
257.04443	100.0
258.04941	2.7
271.09811	0.2
271.20538	0.3
275.20123	0.2
281.18976	0.3
285.03946	0.6
289.07040	0.2
299.20007	1.2
302.04196	0.6
317.06552	8.2
317.21149	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.74113	0.3
55.05508	0.5
55.08540	0.3
55.41027	0.3
58.20417	0.3
61.61774	0.3
63.27177	0.3
63.91179	0.3
65.03934	0.7
67.05495	0.8
69.07059	0.7
69.49463	2.7
79.05489	0.4
81.07045	1.1
83.08583	0.4
85.06525	0.4
91.05459	0.8
92.02630	2.5
93.03414	2.3
93.07036	1.1
95.04956	0.5
95.08591	1.3
97.06532	0.5
98.20766	0.6
104.84770	0.3
105.07040	1.2
107.08603	1.8
109.02843	0.3
109.06470	0.4
109.10165	1.2
111.04427	0.6
119.08563	0.9
121.02877	1.7
121.06454	0.4
121.10149	0.3
123.07968	0.4
123.11662	0.4
126.03147	0.6
131.08562	0.6
133.10121	1.1
135.08011	0.4
135.11710	0.5
137.02357	0.7
137.09618	0.7
139.03873	1.8
145.10112	0.9
147.11687	0.8
151.03928	1.2
153.01834	12.8
157.10158	0.4
159.11691	0.8
161.13202	0.5
163.14862	0.5
165.01845	1.1
169.10069	0.4
173.05995	0.6
190.06238	0.4
197.13287	0.3
199.14737	0.3
200.04779	0.4
201.05438	1.1
201.12709	0.4
201.16406	0.3
203.03366	1.7
217.04921	1.9
218.05724	1.0
228.04192	2.8
229.02847	0.6
229.04977	6.4
231.02811	0.9
245.04449	3.0
246.05209	3.1
253.15758	0.3
256.03720	0.7
257.04495	5.4
260.03146	0.6
261.07681	0.6
273.03979	3.2
274.04654	5.0
275.20172	0.3
284.03073	1.1
285.03949	7.5
287.02051	0.3
297.05386	0.4
299.20001	1.3
302.04224	18.7
303.04443	0.6
317.06555	100.0
317.20969	3.7
318.06927	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.77148	0.3
55.01844	0.2
59.59848	0.3
65.03930	0.5
66.62711	0.3
67.05502	0.5
69.03421	0.5
70.15406	1.2
70.15824	0.5
70.63242	0.2
73.65076	0.3
79.05435	0.3
81.07036	1.1
85.02934	0.4
85.06562	0.6
91.05480	0.4
92.02620	2.7
93.03410	2.1
93.07037	0.7
95.04970	0.4
95.08591	1.0
97.02888	0.4
99.08050	0.4
101.71735	0.3
105.06996	0.6
107.08568	1.0
111.00778	0.3
111.04463	0.3
119.08584	1.4
121.02834	2.0
121.10176	0.3
123.63233	0.3
126.03136	1.1
133.10097	0.7
137.02382	0.4
137.05954	0.4
137.13353	0.3
139.03915	1.4
145.06439	0.4
145.10065	0.4
147.04375	0.3
149.02281	0.3
151.03923	0.8
153.01831	15.2
159.11768	0.6
163.03920	0.3
165.01784	1.3
173.06038	0.4
177.05446	0.5
179.03331	0.3
200.04558	0.4
201.05519	1.7
203.03404	1.1
217.05019	2.0
218.05826	0.7
219.02759	0.4
228.04156	2.8
229.04956	5.1
230.05453	0.3
231.02910	0.9
243.06590	0.4
245.04524	3.4
246.05272	2.7
256.03583	0.5
257.04449	3.6
260.03250	0.4
273.03940	2.5
274.04736	5.9
284.03189	0.7
285.03943	7.0
299.20175	0.4
302.04230	20.1
317.06573	100.0
317.20996	2.9
318.06885	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.2
53.03942	0.2
55.01863	0.3
55.05507	0.4
56.57704	0.2
56.96554	0.3
65.03931	0.6
67.05493	0.5
68.99770	0.4
69.03426	0.4
69.07067	0.4
71.04986	0.2
71.59526	0.4
71.86597	0.2
75.73013	0.2
79.05477	0.6
81.07049	1.0
83.04971	0.2
83.08616	0.2
85.02888	0.6
85.06562	0.2
91.05474	1.0
92.02627	2.5
93.03407	2.2
93.07058	0.9
95.04967	0.7
95.08608	1.0
97.02895	1.2
97.06580	0.3
98.97574	0.4
103.05503	0.3
105.03381	1.9
105.06999	1.1
107.08595	1.2
109.02883	0.3
109.06520	0.6
109.10146	0.7
111.00754	0.2
111.04433	0.4
115.05441	0.3
116.98679	0.2
117.07016	0.3
119.08570	1.0
121.02863	2.0
121.06547	0.3
121.10141	0.5
122.03676	0.4
123.08106	0.2
126.03122	1.2
127.03891	0.3
128.98587	0.2
129.07024	0.2
131.08569	0.4
133.10118	0.7
134.99640	0.2
135.08049	0.5
135.11696	0.2
137.02322	0.8
137.05988	0.5
137.09644	0.4
139.03915	1.4
141.07066	0.2
143.08563	0.4
145.06502	0.3
145.10114	0.6
147.11685	0.4
149.13211	0.2
151.03922	1.3
151.11255	0.2
153.01833	14.7
155.08626	0.2
157.10100	0.5
159.11713	0.2
161.06041	0.3
161.09657	0.2
161.13243	0.3
163.03897	0.4
165.01822	1.1
165.06972	0.2
166.02594	0.2
167.08754	0.2
169.10176	0.2
170.02049	0.2
171.11726	0.5
173.06006	0.4
173.13203	0.2
177.00664	0.2
177.05441	0.3
181.04916	0.4
183.02898	0.2
183.04408	0.3
183.11642	0.6
185.13231	0.3
197.13295	0.2
197.18721	0.2
200.04662	0.6
201.05467	1.4
201.12860	0.2
203.03381	1.8
207.09192	0.5
208.10019	0.3
209.10698	0.5
213.09105	0.4
217.05000	2.2
218.05728	1.2
225.10287	0.3
225.12698	0.2
228.04161	3.2
229.00119	0.2
229.04965	6.4
231.02936	0.9
235.08682	0.3
237.02847	0.3
237.10185	0.2
239.03352	0.2
245.04478	2.9
246.05260	2.8
253.09758	0.6
256.03619	0.4
257.04431	4.3
260.03241	0.6
261.07422	0.3
271.05945	0.5
273.03946	3.3
274.04721	6.7
281.09167	0.8
284.03159	1.0
285.03970	6.8
286.04556	0.3
287.05518	0.3
288.06326	0.4
299.10248	0.5
299.13654	0.3
299.20071	0.7
301.03510	0.5
302.04221	19.4
303.04642	0.6
317.06567	100.0
317.11044	6.2
317.20963	2.6
318.06894	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27124	0.2
54.69132	0.1
55.01837	0.1
55.05494	0.5
57.03414	0.2
59.04982	0.1
63.02332	0.2
65.03923	0.8
67.05501	0.9
68.99779	0.3
69.07050	0.7
75.71628	0.2
79.05469	0.4
81.07055	2.3
83.05009	0.2
83.06102	1.0
83.08575	0.2
88.98431	0.1
91.05461	0.5
92.02620	2.8
93.03396	2.5
93.07052	1.1
94.04221	0.2
95.04967	0.3
95.08610	2.3
97.06503	0.3
97.50596	0.1
98.21576	0.4
98.98443	0.2
105.07034	1.2
107.04932	0.3
107.08578	1.6
109.02824	0.3
109.06481	0.4
109.10155	1.3
111.00773	0.3
111.04417	0.6
111.08038	0.3
117.06994	0.3
119.08584	2.0
121.02859	2.2
121.10149	0.6
122.03603	0.2
123.08052	0.4
123.11716	0.4
124.05190	0.2
125.09659	0.2
126.03166	1.1
128.06183	0.1
129.06876	0.2
131.08557	0.6
131.11249	0.1
133.02887	0.2
133.06416	0.2
133.10114	1.3
135.08032	0.5
135.11699	0.4
137.02327	0.5
137.05971	0.3
137.09596	0.6
137.13232	0.6
139.03882	1.3
143.08577	0.4
145.06473	0.3
145.10109	0.5
147.04451	0.2
147.11716	0.9
149.02350	0.3
149.09605	0.2
151.03920	1.2
151.11189	0.4
153.01820	15.7
154.02257	0.2
157.10143	0.4
159.08127	0.2
159.11684	0.7
161.05943	0.2
161.13284	0.5
163.03941	0.3
163.14795	0.5
165.01802	1.0
166.02600	0.2
169.10245	0.2
170.02065	0.1
171.11641	0.3
172.95236	0.2
173.05952	0.4
173.09624	0.2
173.13251	0.3
175.14769	0.1
177.05493	0.5
183.02910	0.2
183.04387	0.3
183.11618	0.4
185.13228	0.2
187.03940	0.2
187.11148	0.2
187.14838	0.3
189.05524	0.3
189.16455	0.2
190.06284	0.3
191.03343	0.2
192.04079	0.2
197.13313	0.4
199.14810	0.4
200.04576	0.9
201.05472	1.7
201.16353	0.4
203.03397	1.5
204.04242	0.2
205.04898	0.2
205.15599	0.2
208.79353	0.1
211.14908	0.2
215.17961	0.2
217.04945	2.3
218.05710	1.3
219.02963	0.7
228.04161	3.4
229.04961	6.7
229.12134	0.2
229.19597	0.2
229.74039	0.3
230.05423	0.2
231.02872	0.8
232.03709	0.3
239.03477	0.2
239.18025	0.2
243.02785	0.2
243.06583	0.2
243.13721	0.2
245.04449	3.2
246.05214	2.8
247.02481	0.2
256.03604	0.4
257.04434	4.2
257.19009	0.4
258.05215	0.3
260.03171	0.8
261.07632	0.4
271.05478	0.2
271.20471	0.2
273.03922	3.1
274.04709	6.7
275.08917	0.2
275.20010	0.3
281.18869	0.3
284.03195	0.8
285.03918	7.6
286.04681	0.2
287.01846	0.4
288.06131	0.4
299.05493	0.2
299.20096	1.4
301.03287	0.5
302.04199	21.4
303.04565	0.5
317.06543	100.0
317.21008	3.5
318.06888	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	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
55.05513	0.3
65.03939	0.5
67.01894	0.1
67.05506	0.7
68.99792	0.3
69.03460	0.1
69.07078	0.4
72.08144	0.4
75.52593	0.1
79.05495	0.3
81.07056	1.4
82.04276	0.1
83.04968	0.2
83.06091	0.8
83.08576	0.2
85.01374	0.1
85.06558	0.2
86.09687	0.3
91.05487	0.5
92.02625	1.9
93.03400	2.3
93.07045	0.9
95.04998	0.3
95.08595	1.4
97.02885	0.3
97.06547	0.2
97.10168	0.2
99.08105	0.1
102.69047	0.1
105.07036	1.1
107.05009	0.2
107.08586	1.3
109.02886	0.2
109.06526	0.2
109.10143	1.0
111.00816	0.4
111.04456	0.6
111.08083	0.2
117.07057	0.2
119.08591	1.4
121.02868	1.6
121.06445	0.2
121.10144	0.7
122.03670	0.2
123.08047	0.3
123.11720	0.2
124.05286	0.1
125.09583	0.2
126.03107	0.7
128.06206	0.2
131.08572	0.3
133.02841	0.2
133.10115	0.9
135.04446	0.1
135.08047	0.4
135.11720	0.3
137.02342	0.5
137.09653	0.6
137.13202	0.2
139.03899	1.3
143.08543	0.2
143.11795	0.2
145.06413	0.1
145.10130	0.4
146.11789	0.3
147.11728	0.5
149.02399	0.2
150.03079	0.1
151.03908	1.4
151.11165	0.3
152.00975	0.2
153.01825	14.1
155.04948	0.2
157.10101	0.3
159.11739	0.6
161.13312	0.3
163.03856	0.2
163.14798	0.3
165.01804	0.9
166.02612	0.3
169.10080	0.2
170.02191	0.2
171.11516	0.2
173.06007	0.4
173.13298	0.3
175.11128	0.2
175.14853	0.2
177.05484	0.4
183.02921	0.4
183.04387	0.3
183.11641	0.2
185.13235	0.1
187.03885	0.3
187.11189	0.3
187.14822	0.2
189.16443	0.1
192.04338	0.2
197.13359	0.2
200.04726	0.4
201.05469	1.4
203.03371	1.2
204.04192	0.2
205.12263	0.2
215.03423	0.2
217.04967	2.5
218.05708	1.1
219.02902	0.5
228.04179	2.7
229.04955	6.0
230.05492	0.2
231.02820	1.2
239.03418	0.2
239.17993	0.2
243.06607	0.2
243.13817	0.2
245.04453	3.2
246.05255	3.0
256.03720	0.4
257.04453	3.5
257.19125	0.3
258.05194	0.1
260.03125	0.5
261.07657	0.5
271.05939	0.2
271.20523	0.2
273.03925	2.6
274.04718	6.0
275.20062	0.4
281.19067	0.2
284.03204	0.7
285.03943	6.6
286.04642	0.2
287.01901	0.2
288.06366	0.4
299.20093	1.3
301.03311	0.2
302.04211	19.9
303.04529	0.5
317.06552	100.0
317.20984	3.3
318.06882	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85242	0.6
53.03953	0.7
54.84184	0.5
55.01870	0.7
55.05515	5.8
56.05035	3.3
57.03444	0.7
57.07081	2.4
60.04527	100.0
65.03956	0.8
67.05508	9.7
69.07076	5.9
70.06604	1.0
70.11931	1.3
70.12354	1.3
71.04996	0.6
71.08640	0.8
72.04522	2.1
73.02931	0.6
74.06093	1.9
79.05502	5.3
80.05022	0.9
81.07057	12.0
81.37360	0.5
82.06582	1.4
83.04991	1.1
83.08616	3.5
86.06071	0.6
87.04469	2.2
88.07647	0.6
90.05566	1.5
91.05491	4.5
93.07042	6.0
94.06571	0.7
95.04981	1.7
95.08614	11.0
95.09160	0.5
96.08111	0.7
96.08925	0.8
97.06554	1.5
97.10186	1.2
102.09193	0.5
102.49780	0.6
105.07038	3.4
107.08615	8.0
108.08162	0.4
108.08914	0.8
109.06543	1.9
109.10154	5.9
111.04432	1.2
111.08118	0.5
111.11738	0.7
117.07034	0.7
119.08595	6.3
120.08893	0.6
121.10146	3.8
123.08089	1.8
123.11720	2.3
131.08586	1.1
133.06490	0.6
133.10118	4.3
135.08067	1.2
135.11749	2.5
137.09627	2.0
137.13263	0.9
142.07739	0.6
142.58540	0.5
143.08557	0.9
145.10129	2.1
147.11687	2.2
149.09665	0.9
149.13268	0.8
151.07527	0.9
151.11168	0.6
151.14790	0.7
157.10069	0.8
159.11708	1.6
161.13264	1.3
167.95718	0.6
169.10152	0.5
171.11731	1.2
172.12013	0.6
173.09525	0.6
173.13237	1.3
175.14865	0.7
176.15266	0.8
183.11652	0.7
185.13351	0.7
201.20311	0.5
244.76994	0.6
250.25322	1.3
250.56438	0.6
256.26398	1.2
262.25345	1.3
275.20148	0.7
280.26346	9.3
298.18857	1.2
298.27390	12.1
299.20120	1.8
299.27612	0.6
316.19904	1.9
316.28464	50.9
317.21127	13.6
317.28769	3.6
334.20972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.88008	0.4
53.03944	0.6
55.05511	5.1
56.05038	3.7
57.07065	2.6
60.04525	100.0
61.04869	1.2
67.05500	7.9
67.99731	0.6
68.05032	0.7
69.07065	5.9
69.93552	2.0
70.06596	0.8
70.20928	0.5
71.08613	0.6
72.04517	2.3
72.51751	0.5
74.06081	2.6
78.79045	0.5
79.05495	3.8
80.04987	0.9
81.07053	8.0
82.06574	1.7
83.04986	2.0
83.08620	3.6
86.06071	1.0
90.05562	1.3
91.05492	3.7
93.07049	4.2
94.06587	0.5
95.04985	1.3
95.08608	9.0
96.08142	1.0
97.06533	0.8
97.10175	1.7
100.07621	0.8
105.07053	2.7
107.08593	2.8
109.10137	2.9
111.04440	0.5
117.67467	0.5
119.08594	3.0
121.10141	2.9
123.08071	0.8
123.11708	1.5
131.08632	0.6
133.10129	3.0
135.08063	1.3
135.11729	1.6
137.09625	0.9
137.13197	0.6
145.10103	1.1
147.11653	1.2
157.10139	0.8
157.12460	0.5
159.11742	0.6
161.13223	0.6
173.13211	0.6
250.25299	1.7
257.19135	0.6
262.25269	2.2
268.26453	1.0
280.26364	11.4
298.27414	13.4
299.20074	1.4
299.27753	0.8
316.28461	55.4
317.21072	8.7
317.28662	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01869	0.9
55.05512	6.2
56.05033	3.9
57.03439	1.1
57.07076	2.1
59.55950	0.6
60.04527	100.0
61.04864	0.8
61.54612	0.6
65.03944	1.3
67.05505	13.2
68.05019	1.1
69.03435	0.6
69.07071	7.6
70.06587	1.0
71.04985	0.9
71.08628	0.6
71.47522	0.5
72.04510	1.9
73.02908	0.6
74.06079	2.9
79.05498	6.4
80.05031	1.0
81.07057	11.9
82.06571	1.5
83.04977	1.0
83.08618	4.6
85.06545	0.8
87.04476	1.5
90.05572	1.6
91.05478	5.8
93.07052	8.0
94.06585	1.7
95.04984	2.4
95.08607	14.3
96.08120	0.8
97.02911	0.7
97.06548	1.8
97.10178	2.1
99.08087	0.7
105.07030	8.1
106.37267	0.5
107.04972	0.8
107.08592	11.1
108.08887	0.5
109.06516	1.7
109.10157	8.2
111.04446	2.7
111.08094	1.4
112.07656	0.6
116.07156	0.8
116.95883	0.5
117.07020	0.9
119.08586	12.1
121.06526	0.7
121.10150	5.7
123.08089	1.8
123.11724	1.8
125.05997	0.7
125.09682	0.6
129.07024	0.8
131.08575	3.0
133.06479	0.8
133.10110	5.9
134.29651	0.6
135.08047	2.8
135.11708	2.5
137.06015	1.3
137.09628	2.7
137.13281	1.3
142.07701	0.6
143.08539	1.5
145.10107	2.9
147.08076	1.2
147.11694	5.2
149.09634	0.6
149.13252	2.3
151.07590	1.3
151.11186	0.7
155.08548	0.7
157.10156	3.0
159.08070	0.9
159.11714	2.9
161.09694	0.6
161.13278	2.1
163.11156	0.8
163.14807	1.7
165.12714	0.9
169.10110	1.2
171.11681	2.6
173.09796	0.8
173.13287	1.8
175.11220	1.8
175.14915	0.7
183.11694	2.1
185.09581	0.6
185.13269	1.0
187.11131	1.4
187.14793	1.1
189.12708	0.7
189.16359	0.8
193.12299	1.1
197.13219	1.6
199.11105	0.6
199.14806	0.9
201.12801	0.7
201.16490	0.9
203.14055	0.5
205.15875	0.8
211.11232	1.0
211.14851	0.8
213.16304	1.1
225.12706	0.6
225.16299	0.7
229.12363	1.8
233.22675	0.6
239.14424	0.8
239.18004	0.9
239.23877	0.6
241.15865	1.1
243.13777	0.8
250.25258	1.3
253.19536	1.0
256.26425	0.7
257.19058	1.7
262.25360	1.8
268.26355	1.2
271.20612	1.5
275.20218	1.3
280.26331	13.5
281.19019	1.1
298.27444	13.7
299.20074	8.4
299.27628	0.9
316.20529	2.4
316.28476	57.1
317.06598	1.4
317.21097	18.5
317.28757	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	316.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05510	0.8
56.05031	0.5
56.96560	0.4
57.03426	0.6
57.07071	0.7
67.05496	1.6
69.03442	0.5
69.07075	5.6
70.06590	1.3
71.04983	0.9
71.59271	0.7
72.08161	0.9
79.05495	1.4
81.03416	0.7
81.07039	1.8
82.07380	0.4
83.04953	0.6
83.08630	0.5
84.04495	1.8
84.08153	0.6
85.02912	1.1
85.06540	0.6
86.09708	100.0
87.10020	0.9
88.03983	0.9
89.03831	0.5
91.05488	2.7
92.05796	0.4
93.07050	2.2
94.07385	0.4
95.04977	0.6
95.08605	1.7
97.02893	1.3
97.06538	0.5
97.92973	0.3
98.97581	0.8
100.07640	0.4
105.07047	1.7
106.07364	0.9
107.08574	2.1
108.08943	1.0
109.06485	0.7
109.10184	0.9
111.04402	0.7
114.09172	0.9
116.98611	0.4
117.07047	0.4
119.08593	1.1
120.08932	0.5
121.06484	0.6
121.10187	0.7
127.03881	0.5
130.05025	0.8
130.06494	0.5
132.08992	0.7
132.10205	5.5
133.10143	0.9
134.04485	0.4
135.08055	1.4
135.11752	0.7
136.08369	0.5
137.06023	0.6
138.05476	1.0
145.10106	0.9
146.05954	0.8
146.10324	0.5
147.04407	1.0
147.07988	0.5
148.04718	0.6
155.08365	0.5
157.13365	61.6
158.10521	0.4
158.13737	0.8
159.11678	0.8
163.03903	0.4
185.12868	28.7
185.28723	0.4
186.13309	0.9
188.07060	1.0
199.18083	0.5
203.13959	2.6
212.12784	1.2
245.18562	1.1
298.18832	0.7
316.12692	0.9
316.19833	3.7
317.06485	1.5
317.15726	17.9
317.21320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2232
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.01863	0.5
55.05510	0.8
56.05031	0.5
56.96560	0.4
57.03426	0.6
57.07071	0.7
67.05496	1.6
69.03442	0.5
69.07075	5.6
70.06590	1.3
71.04983	0.9
71.59271	0.7
72.08161	0.9
79.05495	1.4
81.03416	0.7
81.07039	1.8
82.07380	0.4
83.04953	0.6
83.08630	0.5
84.04495	1.8
84.08153	0.6
85.02912	1.1
85.06540	0.6
86.09708	100.0
87.10020	0.9
88.03983	0.9
89.03831	0.5
91.05488	2.7
92.05796	0.4
93.07050	2.2
94.07385	0.4
95.04977	0.6
95.08605	1.7
97.02893	1.3
97.06538	0.5
97.92973	0.3
98.97581	0.8
100.07640	0.4
105.07047	1.7
106.07364	0.9
107.08574	2.1
108.08943	1.0
109.06485	0.7
109.10184	0.9
111.04402	0.7
114.09172	0.9
116.98611	0.4
117.07047	0.4
119.08593	1.1
120.08932	0.5
121.06484	0.6
121.10187	0.7
127.03881	0.5
130.05025	0.8
130.06494	0.5
132.08992	0.7
132.10205	5.5
133.10143	0.9
134.04485	0.4
135.08055	1.4
135.11752	0.7
136.08369	0.5
137.06023	0.6
138.05476	1.0
145.10106	0.9
146.05954	0.8
146.10324	0.5
147.04407	1.0
147.07988	0.5
148.04718	0.6
155.08365	0.5
157.13365	61.6
158.10521	0.4
158.13737	0.8
159.11678	0.8
163.03903	0.4
185.12868	28.7
185.28723	0.4
186.13309	0.9
188.07060	1.0
199.18083	0.5
203.13959	2.6
212.12784	1.2
245.18562	1.1
298.18832	0.7
316.12692	0.9
316.19833	3.7
317.06485	1.5
317.15726	17.9
317.21320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
55.05508	1.4
56.05038	0.9
57.03432	1.5
59.04984	1.0
60.04254	1.1
60.04526	12.0
69.03429	2.2
69.07073	4.1
70.02967	1.8
70.06592	46.4
71.04996	0.9
71.58804	1.0
72.08154	14.2
74.06080	1.1
79.05472	2.1
81.07064	3.8
82.06601	1.2
82.72847	0.6
83.04986	1.0
84.04517	8.3
84.08149	4.0
85.02911	1.4
86.06055	1.0
86.09706	67.2
87.05595	7.6
87.10043	1.3
88.04002	0.9
91.05482	1.7
93.07067	1.4
94.07420	1.0
95.08624	0.9
97.02904	1.8
97.06530	0.8
100.11236	0.7
102.05551	1.7
107.08610	1.2
108.08885	0.9
116.07091	100.0
116.98627	1.7
117.07412	1.0
126.02467	6.3
127.03912	1.4
128.10728	5.9
129.10258	1.7
130.05000	1.0
132.10201	1.4
135.04434	1.8
136.06259	0.7
137.06000	1.0
138.05530	1.1
141.04822	30.1
142.08627	1.0
143.06300	1.2
147.04416	3.3
148.04755	1.4
155.06781	4.2
160.08073	1.6
163.03915	1.9
164.04276	1.3
171.14923	2.7
172.09834	0.9
173.12859	40.6
177.05559	0.8
185.04236	2.1
197.11157	2.1
199.14479	2.6
199.18039	3.6
201.12341	12.0
203.05322	2.1
203.07372	1.1
204.78058	0.9
224.08069	0.8
227.17586	2.1
235.13223	1.2
237.02724	1.2
253.11829	1.3
257.13181	13.3
301.14258	0.9
316.20731	17.7
317.06747	1.4
317.12061	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	315.1957
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03953	4.1
55.01870	5.7
55.05514	15.8
57.03423	3.5
59.05005	34.1
63.79143	2.8
65.03938	7.3
67.05502	25.5
69.03434	9.5
69.07062	18.0
69.64030	24.0
77.23835	3.9
79.05508	31.1
81.03433	6.5
81.07057	26.0
82.98287	3.3
83.04987	9.8
83.08623	9.9
86.09708	7.0
90.94501	2.7
91.05492	36.8
93.07037	42.7
94.90053	3.0
95.04987	8.9
95.08620	31.3
97.02885	9.6
97.06534	12.4
98.20779	6.3
98.97543	5.1
105.07035	70.1
107.04978	4.7
107.08598	87.4
109.02877	3.5
109.06537	13.1
109.10155	32.0
111.04480	19.2
111.08088	7.2
116.98625	5.5
117.07024	11.7
119.08585	95.2
119.09460	4.6
121.06480	15.3
121.10145	44.6
122.07326	6.2
123.08086	12.0
123.11716	8.6
125.05953	8.2
128.06290	5.5
129.07024	5.0
131.04910	5.0
131.08557	32.6
133.06514	18.8
133.10124	43.4
135.08063	55.3
135.11703	14.0
137.05992	10.6
137.09642	6.9
139.07559	3.9
141.07031	7.1
142.07773	11.9
143.08563	26.6
144.09375	5.6
145.10123	35.2
147.04492	3.5
147.08070	15.2
147.11703	12.5
149.06067	5.2
149.09628	52.5
151.11194	3.5
153.06935	3.4
155.08575	19.8
156.09384	13.8
157.10130	49.2
158.10968	7.4
159.04396	3.6
159.11719	47.3
161.05998	14.8
161.09671	13.7
161.13316	8.7
163.11101	5.6
165.07048	8.6
165.09209	8.2
166.07770	3.3
167.08597	8.9
169.10129	29.7
170.10878	7.1
171.08153	4.3
171.11684	50.8
173.09637	13.7
173.13257	50.6
175.11241	7.9
175.14841	4.3
177.09181	3.7
179.08559	4.3
179.10684	9.5
181.10168	14.0
183.11726	16.0
184.12506	7.8
185.09654	8.0
185.13271	38.4
187.11227	9.5
187.14815	16.1
189.09119	4.5
191.10706	11.6
192.28232	3.6
193.10132	5.1
194.07463	3.7
194.10867	4.0
195.08083	4.5
195.11723	19.4
196.12425	4.6
197.09573	3.7
197.13179	15.1
199.11272	14.2
199.14812	25.5
201.12804	9.8
203.10617	4.7
203.14249	7.0
205.12163	6.7
208.05370	3.9
208.12360	4.1
209.13261	15.7
211.14847	13.5
213.12808	9.1
213.16447	17.5
215.10704	3.2
217.12270	8.6
219.11752	4.3
221.13304	6.0
222.06665	5.2
223.07530	6.7
223.11229	6.1
223.14888	4.9
225.16484	16.7
227.10674	3.7
227.17957	25.8
233.15184	3.1
235.14767	7.5
237.12743	5.6
237.16449	13.0
239.14369	7.4
240.08119	3.8
241.12263	7.0
241.19557	13.2
249.16402	3.1
251.07234	4.7
251.17953	22.8
253.15955	8.1
255.10234	9.5
255.17456	23.7
265.08746	3.3
267.17511	3.6
269.08386	6.5
269.18961	28.8
273.18518	8.1
273.72495	3.5
279.17413	17.8
283.09711	25.5
287.20087	9.6
297.18484	60.6
297.21652	5.4
315.09076	5.8
315.12384	25.1
315.19580	100.0
315.22916	4.7
316.19720	4.5
333.20596	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	315.1955
Annotation	Hanagokenol A
Peak:m/z	Relative Intensity
53.03937	0.9
55.01859	1.1
55.05501	3.3
57.07057	1.0
67.05495	4.8
67.54008	0.8
69.03407	1.5
69.07064	2.7
79.05495	7.8
81.03403	0.8
81.07062	6.5
83.04983	1.9
83.08599	2.3
86.49852	0.7
91.05466	7.3
93.07044	9.8
95.04969	2.2
95.08612	8.3
97.02857	1.2
97.06519	3.5
98.20764	1.7
99.04458	0.9
99.08094	1.0
103.05480	2.1
105.07027	27.2
107.04922	1.3
107.08601	13.9
109.06506	3.0
109.10159	4.0
111.04452	4.0
111.08101	1.1
113.05974	0.8
117.07015	3.1
119.08590	10.9
121.02825	0.9
121.06482	3.3
121.10143	8.1
123.08078	6.9
123.11661	1.8
125.05991	1.4
129.06975	2.5
131.04924	1.5
131.08603	5.6
133.06494	100.0
133.10126	6.7
134.06796	1.8
135.08035	10.0
135.11703	2.4
136.93124	0.9
137.05994	1.0
137.09618	1.3
139.07536	1.0
142.07776	0.8
143.08553	4.7
145.10152	8.2
147.08058	2.8
147.11699	3.1
148.29427	0.7
149.09625	4.2
154.94196	1.9
155.08543	2.1
156.09375	1.6
157.10133	10.1
158.10966	1.3
159.08076	1.7
159.11687	7.6
161.09637	4.2
161.13287	1.0
163.07565	1.3
163.11147	1.9
165.05440	0.8
165.07085	1.2
165.09114	1.4
166.78050	0.8
167.08543	1.4
167.10727	1.2
169.10103	3.2
171.08020	1.1
171.11653	6.4
172.95219	6.0
173.09622	2.6
173.13266	5.1
175.11195	3.0
175.14806	1.0
177.09148	0.9
181.10181	2.5
182.10881	0.9
183.11673	1.6
185.09660	4.4
185.13258	2.3
186.14069	1.0
187.11198	3.6
187.14832	1.9
189.09131	1.2
189.12752	1.2
190.96298	2.5
191.10677	1.5
195.11743	3.5
197.13287	2.4
199.11137	3.1
199.14841	4.1
201.12827	1.8
203.10605	1.5
203.14305	0.9
205.12280	1.0
205.15999	0.8
207.11719	1.1
209.13275	2.7
211.14812	1.7
213.12755	1.9
213.16560	1.1
217.12239	0.9
217.15852	1.5
219.13741	1.1
222.13918	1.0
223.11174	1.3
225.16351	0.7
227.10695	1.3
227.17873	1.2
231.13748	1.3
235.14761	1.2
237.16344	3.9
245.11649	1.7
251.17946	3.5
255.13715	1.0
255.17474	4.3
261.16553	0.9
269.18896	4.6
273.18359	1.2
279.17398	4.2
283.02396	0.8
283.09674	1.8
287.05533	1.8
287.16449	1.7
287.20200	1.6
292.07080	2.6
297.18512	12.9
310.07916	1.6
315.08615	2.0
315.19543	53.6
316.19943	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	Mitrekaurenone
Peak:m/z	Relative Intensity
53.03947	1.8
53.57382	0.8
55.01869	1.8
55.05496	3.5
57.07058	0.7
60.04512	1.4
65.03936	2.4
67.05500	16.4
69.03419	9.4
69.07060	4.9
69.99410	4.1
71.04966	0.8
77.03905	0.8
79.05490	24.8
81.03414	2.8
81.07052	19.7
83.04982	5.7
83.08599	1.3
85.06523	1.3
91.05482	11.2
93.03390	1.3
93.07036	10.6
95.04964	2.5
95.08595	10.9
97.06535	10.1
98.20827	1.0
103.05457	0.7
105.07021	16.4
107.04942	3.0
107.08598	11.5
109.02886	1.7
109.06509	3.7
109.10149	43.9
111.04438	27.4
111.08092	1.7
117.06974	3.7
119.04911	1.8
119.08575	26.1
121.06477	2.9
121.10133	10.0
123.08035	3.0
123.11734	1.1
125.02367	0.8
125.05988	52.6
125.09650	1.4
129.07051	1.0
131.08571	6.0
133.06444	2.2
133.10123	12.4
135.08051	5.4
135.11681	4.7
137.02324	2.1
137.05959	0.9
137.09610	13.5
137.13220	3.1
143.08545	4.3
145.06458	2.2
145.10103	7.5
147.08043	4.9
147.11644	4.1
149.05919	1.4
149.09604	3.0
149.13284	1.2
151.07533	1.0
151.11211	1.4
153.05383	1.4
155.08521	1.5
156.09352	1.9
157.10103	5.0
159.08054	3.0
159.11711	5.6
161.09621	7.3
161.13200	2.7
163.07477	4.6
163.11198	1.3
163.14824	2.9
165.09135	6.1
169.10135	2.1
170.10953	1.0
171.11690	5.4
173.09593	2.4
173.13252	4.3
175.11174	1.1
175.14806	0.9
177.09126	8.4
177.12685	1.0
179.07050	1.2
179.08580	0.7
179.10651	2.9
181.10127	1.6
183.11746	1.6
185.09648	1.1
185.13208	2.7
185.94688	0.7
187.11212	1.4
187.14825	1.8
189.09145	2.1
195.11667	2.7
197.13280	2.2
199.11163	1.7
199.14833	1.6
201.12724	0.9
203.10648	1.7
205.08617	7.9
205.12074	0.9
205.15868	1.0
207.10173	5.8
209.13202	1.1
211.14774	1.1
213.16341	1.1
215.10603	1.2
217.12144	1.4
219.13725	1.7
225.16376	1.0
227.10661	1.4
227.14436	1.0
227.17993	1.6
237.16306	0.9
241.12230	1.9
245.15219	1.2
251.17865	1.4
255.13936	0.9
255.17360	1.4
269.19070	3.8
279.17365	1.2
295.38486	0.9
297.18481	6.2
315.19534	100.0
316.19864	5.0
316.28415	0.9
319.14285	0.9
339.33063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1956
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
50.77382	0.7
53.03944	1.2
55.01869	1.3
55.05521	6.2
55.20203	0.8
57.07038	1.2
59.04992	1.6
65.03946	1.8
67.05180	0.7
67.05512	9.7
68.82846	0.9
69.03422	3.8
69.07069	7.6
69.11862	0.7
70.01677	3.3
71.05000	0.9
71.08599	0.8
79.05494	9.4
81.03392	0.8
81.07056	11.8
82.22197	0.7
83.04974	2.5
83.08604	3.4
85.06532	1.6
91.05474	8.9
91.18563	0.7
93.07044	13.6
95.04969	3.4
95.08041	1.4
95.08611	16.9
97.02896	2.4
97.06535	11.1
97.10143	1.3
99.08077	2.2
103.05453	1.4
105.07035	27.1
107.04973	1.9
107.08597	19.0
109.06496	4.6
109.10177	5.9
111.04461	5.1
111.05080	0.9
111.08079	2.3
117.07036	3.2
119.07785	1.5
119.08585	20.9
121.06534	5.0
121.10145	12.1
123.08080	6.8
123.11688	2.9
125.06017	1.8
128.06268	0.9
129.07002	3.5
131.08559	8.8
133.06497	76.0
133.10132	10.6
134.06854	1.1
135.08054	15.3
135.11665	5.1
137.05984	1.9
137.09589	2.0
139.07570	1.6
141.06929	0.9
142.07785	4.3
143.08562	8.5
144.09360	1.2
145.06453	1.0
145.10121	11.5
147.08057	3.6
147.11674	7.0
148.08820	2.3
149.06047	0.9
149.09615	11.6
149.13315	1.2
151.07555	1.0
153.09138	0.8
155.08566	5.4
156.09386	3.7
157.10132	13.6
158.10890	1.0
159.08047	2.2
159.11688	12.6
161.06062	1.0
161.09625	5.6
161.13274	2.9
163.07544	2.1
163.11166	4.2
165.06999	1.2
165.09163	2.3
165.12730	1.2
166.07793	1.4
167.08560	1.2
167.10681	1.1
168.09392	1.3
169.10138	6.0
170.10883	1.7
171.08049	2.4
171.11702	11.4
173.09671	4.6
173.13268	9.4
174.10442	1.2
175.11224	4.6
175.14755	4.2
176.11908	0.9
177.09149	1.0
177.12732	2.2
179.10684	1.0
180.09291	1.2
181.08649	1.6
181.10109	4.1
183.11710	5.1
185.09602	5.6
185.13252	5.9
187.11188	4.5
187.14825	4.4
189.09105	1.5
189.12752	3.3
189.16336	1.3
191.10635	1.3
193.10181	1.1
194.10925	1.0
195.11725	7.1
196.12462	1.3
197.09544	1.1
197.13239	4.5
199.11194	7.1
199.14857	5.0
201.09163	0.9
201.12709	4.6
203.10663	3.1
203.14357	2.7
205.12157	1.2
205.15865	1.4
207.11714	1.9
209.13243	4.6
211.11189	1.7
211.14809	4.5
213.09152	0.9
213.12726	3.8
213.16356	2.9
215.10724	1.7
215.14284	1.2
217.12297	2.0
217.15860	2.4
219.13789	1.8
222.14084	1.0
223.11238	2.7
223.14798	0.9
225.16470	1.6
227.10684	2.4
227.14383	2.1
227.17996	3.2
229.15909	0.9
229.28027	0.8
231.10168	3.5
231.13821	2.0
235.14749	1.2
236.15607	1.4
237.12741	1.8
237.16367	5.8
239.14313	1.2
241.12201	2.9
241.19453	1.7
243.13840	1.2
245.11705	7.1
251.18002	5.2
253.15825	3.2
253.19618	1.1
255.13870	3.4
255.17447	7.5
257.15341	1.2
259.13260	1.2
261.16412	1.5
269.19019	10.6
271.16937	1.4
273.14859	1.2
273.18552	3.1
279.17346	5.8
279.23172	2.0
287.16483	2.3
287.20062	3.7
297.18506	27.3
298.18753	1.3
315.19559	100.0
316.20010	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	315.1955
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03947	4.0
53.08677	2.7
55.05514	15.4
57.07058	5.4
65.03945	4.3
67.05502	23.5
69.03419	4.2
69.07068	9.1
70.85048	3.0
70.85378	6.0
71.02154	2.6
71.04977	5.3
79.05473	23.3
81.07051	16.7
83.04972	5.8
83.08619	6.6
91.05483	36.4
93.07045	36.1
95.04971	6.5
95.08606	31.0
97.02875	5.4
97.06507	4.9
103.05473	3.4
105.07034	45.3
107.07862	5.4
107.08595	97.2
109.06514	8.1
109.10158	28.6
111.04435	27.2
111.08051	2.8
115.05460	4.9
117.07034	8.7
119.08583	100.0
121.06512	24.0
121.10137	37.6
122.07315	5.7
123.08051	15.1
123.11711	6.0
125.05991	3.9
129.07019	7.3
131.08557	22.5
133.06494	7.1
133.10130	35.2
135.08051	96.3
135.11711	10.9
137.09641	4.1
139.07538	5.6
141.07095	3.6
142.07800	7.7
143.08527	13.7
144.09370	8.7
145.10130	26.6
147.08075	9.0
147.11684	10.2
149.09618	60.0
149.10735	4.7
155.08551	6.8
156.09348	13.2
157.10133	35.2
158.10960	8.8
159.11687	42.8
161.09641	10.1
165.09132	6.2
167.08565	3.9
169.10103	23.9
170.10945	14.2
171.11713	41.7
173.09685	6.1
173.13266	35.8
175.11185	5.8
175.14809	3.7
179.08670	3.4
179.10655	4.9
180.97786	2.7
181.10138	6.9
181.12244	4.3
183.11722	8.1
184.12485	9.3
185.09576	4.5
185.13234	28.4
186.13911	3.5
187.11237	7.1
187.14781	14.3
191.10690	6.5
193.10104	4.7
195.11725	14.6
197.13257	20.0
199.11209	10.8
199.14836	28.5
201.12746	11.3
205.12218	4.4
207.11726	4.2
208.12498	3.2
209.13222	11.8
210.14125	2.9
211.14798	6.5
213.12775	10.7
213.16328	2.9
215.10785	5.5
217.12277	6.1
217.15935	3.7
223.11293	6.3
225.16394	20.0
227.10648	4.9
227.14352	4.0
227.17966	21.7
228.74892	2.6
235.14830	6.2
237.16420	8.6
241.19577	11.4
245.43228	2.9
251.14296	3.6
251.17857	18.4
255.17506	7.9
257.15384	3.2
267.17587	4.7
269.18994	19.0
273.14981	3.2
273.18259	3.8
279.17435	9.6
285.18460	4.8
287.20157	9.7
297.18497	49.2
315.19543	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1956
Annotation	DACP analog of retinoic acid
Peak:m/z	Relative Intensity
53.10440	2.9
55.05510	3.7
59.05006	100.0
67.05505	7.6
69.07043	8.0
70.79540	11.7
81.07056	4.1
83.08699	3.2
91.05492	19.9
93.07021	5.5
99.77781	3.4
101.18478	3.2
105.07039	57.6
107.08594	4.5
111.04450	14.7
117.07024	5.8
119.08586	13.0
121.10107	4.0
128.06210	5.7
129.06998	8.0
131.08583	31.8
133.10136	5.4
135.08012	10.1
141.07027	6.6
142.07779	7.8
143.08611	16.6
144.79910	3.0
145.10143	18.0
155.08549	35.5
156.09361	4.1
157.10141	37.1
159.11716	48.0
165.07042	6.2
167.08548	5.6
169.10126	13.4
171.11710	30.1
173.13274	14.3
175.14827	4.5
181.10139	16.3
183.08012	4.9
183.11801	7.0
185.13284	7.6
190.85570	3.4
193.10104	5.8
194.10966	5.6
195.11653	15.5
197.09660	5.9
197.13203	6.5
199.14862	4.4
203.14366	3.1
207.11673	4.8
209.13223	12.5
211.14832	37.9
213.16423	34.5
221.13248	9.2
223.11133	4.3
227.17918	15.6
235.14876	8.5
237.16440	25.6
239.14334	11.0
251.17894	6.4
253.15787	9.0
255.17450	28.3
257.15372	6.2
261.16486	9.4
273.18533	9.4
279.17429	22.6
297.18527	22.2
315.19467	11.8
315.34512	5.4
317.50989	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	315.1958
Annotation	DACP analog of retinoic acid
Peak:m/z	Relative Intensity
50.64296	1.3
51.69712	1.5
55.01858	4.7
55.05514	11.2
56.75338	1.5
56.96545	5.9
57.03429	3.3
57.07049	2.2
59.05003	100.0
65.03944	4.3
67.05233	1.7
67.05506	19.1
69.03426	8.6
69.07077	17.2
70.85938	4.2
71.05008	2.2
73.02905	3.3
79.05496	14.7
81.03416	4.6
81.07060	18.5
83.04963	4.8
83.08614	7.2
85.02893	7.4
85.06506	4.1
87.04438	1.8
88.61459	1.5
91.05486	51.3
93.03398	2.4
93.07048	28.0
95.04960	4.0
95.08614	21.6
97.02885	9.5
97.06524	6.9
97.10142	2.1
98.97563	9.2
103.05439	5.3
105.07034	89.2
107.04932	3.2
107.08596	49.1
109.06512	11.2
109.10171	16.0
111.04443	28.7
111.08054	3.9
115.05421	1.8
116.98612	6.8
117.07027	14.6
119.08583	51.2
121.06508	9.3
121.10159	23.5
123.08098	13.7
123.11694	4.4
124.08814	4.8
125.05986	4.2
125.09600	5.0
128.06201	3.2
129.07022	10.9
130.07753	2.3
130.38361	1.6
131.08577	42.1
133.06496	37.3
133.10133	24.2
135.08061	63.0
135.11662	7.3
137.05954	2.6
139.07542	2.5
141.06981	6.8
142.07785	10.0
143.08565	25.2
144.09322	4.8
144.43262	1.7
145.04950	2.4
145.10115	29.7
146.99640	1.9
147.08031	7.9
147.11696	11.8
149.09630	36.1
151.07530	2.3
153.06914	2.6
155.07388	3.0
155.08563	42.2
156.09341	11.2
157.10133	54.2
158.99617	1.9
159.08078	4.0
159.11702	59.9
161.09552	5.3
161.13266	5.1
163.03899	1.7
163.07571	2.1
163.11177	6.4
163.14816	3.2
165.06990	3.9
165.09109	6.0
166.07823	2.1
167.08578	9.0
167.10643	2.2
169.10147	23.6
170.10809	4.8
171.08008	4.8
171.10257	2.6
171.11699	44.1
173.09613	5.1
173.13264	21.0
174.03738	2.1
175.11166	4.6
175.14816	3.2
177.00642	2.7
179.08595	5.8
179.10756	3.0
180.09375	2.2
181.10133	18.9
181.11720	2.4
182.10869	3.3
183.08076	3.8
183.11693	14.2
184.12465	2.5
185.09598	6.3
185.13264	22.1
186.13986	3.3
187.11145	4.1
187.14870	10.3
189.09085	2.7
191.10675	5.8
193.10161	6.8
194.10921	3.8
195.07983	2.0
195.11691	25.3
196.12315	5.0
197.09621	3.8
197.13298	15.1
199.11198	7.1
199.14809	13.1
201.09233	2.1
201.12753	3.9
203.05907	5.4
203.10623	4.3
203.14325	3.4
205.10149	2.2
205.15919	4.0
206.10913	2.5
207.11800	4.0
209.07684	1.9
209.09695	3.4
209.13243	17.2
211.11200	5.5
211.14818	35.5
213.05991	1.7
213.12827	3.9
213.16370	32.3
215.14307	2.1
217.12302	4.2
217.15895	4.5
219.01768	2.1
219.11717	1.8
220.06686	3.2
220.12492	4.7
221.07027	3.6
221.13289	9.0
222.06532	5.4
222.13971	4.4
223.11160	4.6
223.14813	5.3
225.12775	3.7
225.16422	8.6
227.10648	2.7
227.14246	2.1
227.17949	21.5
229.12268	2.1
231.31845	1.9
233.57240	2.1
235.14864	13.7
236.15602	2.8
237.02890	2.0
237.12697	4.4
237.16382	32.6
239.14397	8.2
241.12344	2.4
241.19403	3.9
251.17905	13.9
253.15871	8.8
254.09793	2.2
255.13713	2.1
255.14642	2.3
255.17461	32.2
256.17767	3.0
257.15387	9.5
259.13284	2.3
261.16412	8.8
269.19070	12.7
273.15524	1.4
273.18567	12.1
275.10416	11.0
279.17395	23.0
283.09497	6.8
284.10944	7.8
285.18451	1.8
287.19995	4.8
293.11407	2.0
295.61755	4.3
297.18469	40.2
298.18732	2.5
315.08875	1.9
315.11987	4.0
315.19507	59.1
316.19965	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	315.1954
Annotation	7-Oxodehydroabietic acid
Peak:m/z	Relative Intensity
55.01854	1.7
55.05503	7.7
57.07058	2.2
59.05005	4.1
67.05505	11.2
69.03419	3.4
69.07071	10.0
70.75977	5.3
71.82673	1.5
79.05489	8.3
81.03394	2.2
81.07063	16.1
83.04960	2.2
83.08619	5.1
85.06527	4.8
91.05482	16.1
93.07036	15.8
95.04965	4.2
95.08601	19.6
97.02911	2.2
97.06534	3.5
105.07035	24.0
107.04961	3.5
107.08583	21.0
109.06490	4.7
109.10149	10.6
111.04451	13.8
111.08136	2.4
115.05460	2.0
117.07018	7.5
119.08579	32.9
121.06491	9.6
121.10145	14.0
123.08058	4.7
123.11713	4.1
125.06030	2.0
128.06281	2.2
129.07007	5.2
131.08566	10.9
133.06532	9.6
133.10133	19.5
135.08046	55.3
135.11652	4.7
137.05994	2.2
137.09532	2.3
142.07782	4.3
143.08575	12.8
144.09366	2.4
145.10112	19.4
147.08038	7.4
147.11681	8.5
149.09599	6.4
149.13222	1.9
151.07520	2.4
155.08560	6.1
156.09369	2.7
157.10133	15.4
158.39323	1.6
159.08076	4.7
159.11688	21.2
161.09592	10.9
161.13277	6.3
163.07527	2.1
163.11151	2.3
165.07043	1.9
165.09068	2.3
167.08549	5.2
168.09259	1.6
169.10123	10.2
170.10886	2.6
171.08070	6.7
171.11696	22.2
173.09581	9.0
173.13257	8.9
175.07582	1.8
175.11157	10.9
175.14847	3.3
177.09073	2.5
177.12711	1.9
181.10094	6.8
182.10904	2.3
183.11673	10.7
185.09656	10.4
185.13283	9.5
186.13887	1.8
187.11192	5.9
187.14833	7.3
189.09090	3.0
189.12715	2.3
191.10747	3.1
193.10172	2.8
194.10902	2.6
195.11699	10.6
197.09509	3.0
197.13260	6.1
199.07451	2.2
199.11172	10.5
199.14804	5.3
201.09077	2.2
201.12875	3.9
203.10652	3.5
205.12343	2.0
205.15953	2.9
209.13268	9.1
211.11230	2.9
211.14812	6.2
213.09016	1.9
213.12727	9.2
213.16394	3.1
215.10765	2.8
217.12231	5.9
222.13928	2.7
223.11102	2.6
223.14795	3.8
225.12749	3.2
225.16414	2.7
227.10690	7.5
227.14258	3.3
227.17932	7.0
236.15581	1.9
237.12811	5.1
237.16365	6.8
239.14281	3.9
241.12239	6.4
241.19589	4.3
243.13835	1.9
245.11858	3.5
251.18011	8.8
253.15875	2.0
253.19414	2.5
255.13759	5.5
255.17429	10.4
259.13379	2.6
269.15530	4.9
269.19025	21.5
271.17081	2.0
271.20535	3.5
273.14996	2.0
273.18506	3.3
279.17426	11.4
287.19980	11.8
297.18491	69.5
298.18875	2.6
315.19547	100.0
316.19809	4.0
333.20630	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1955
Annotation	Mitrekaurenone
Peak:m/z	Relative Intensity
50.49638	1.5
51.22206	1.4
53.03939	2.2
54.32087	1.5
55.01865	2.2
55.05509	10.8
57.07051	2.4
58.24115	1.4
65.03948	3.4
67.05505	38.9
69.03426	1.6
69.07067	15.0
69.68963	1.5
70.66071	5.1
79.05497	44.2
81.07051	34.3
83.08610	3.9
85.06568	1.8
91.05479	26.5
93.07047	59.9
95.04959	9.6
95.08612	60.1
97.02879	5.1
97.06541	2.4
105.07030	38.8
107.04947	3.3
107.08594	100.0
109.06533	28.8
109.09460	2.8
109.10157	41.9
111.04440	9.0
111.08092	1.6
117.07000	6.5
119.06035	1.6
119.08579	27.3
121.06508	7.8
121.10130	28.1
123.08061	7.8
123.11708	6.8
125.05978	5.8
128.06152	1.8
129.06996	4.4
131.08588	8.5
133.06520	11.9
133.10127	32.0
135.08073	13.2
135.11690	64.1
137.09665	1.6
139.07524	4.3
141.06979	2.2
142.07782	2.6
143.08572	6.4
145.06425	2.0
145.10121	12.1
147.08028	3.4
147.11667	14.2
148.12465	3.1
149.09605	6.5
149.13258	13.3
156.09344	1.6
157.10124	9.4
159.08052	2.1
159.11696	11.8
161.09607	5.5
161.13232	4.2
163.11209	2.7
165.09070	4.5
169.10117	3.8
171.08060	2.2
171.11681	8.3
173.09660	4.8
173.13283	4.0
175.11212	3.1
177.09158	2.2
179.10678	4.4
183.11684	4.1
185.09610	2.8
185.13216	6.1
187.11194	5.5
187.14890	2.8
189.16393	4.4
191.10698	3.0
193.12230	3.8
195.11639	3.0
197.13390	2.2
199.11182	2.5
199.14847	2.7
201.12654	3.7
203.14343	2.0
205.12427	2.5
207.88998	1.8
209.13255	2.6
213.12781	4.6
213.16449	1.8
217.12151	2.1
219.13896	2.2
225.16301	2.0
227.14316	3.4
227.17989	4.3
231.13786	2.8
234.72672	1.6
241.19557	6.9
245.15259	1.5
251.17828	3.9
255.17418	2.2
259.17017	1.8
269.19086	9.0
273.18683	1.8
279.17484	3.2
287.20023	15.6
297.18475	10.0
315.19568	60.1
333.20593	58.2
334.21039	2.2
336.76538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	DACP analog of retinoic acid
Peak:m/z	Relative Intensity
55.01854	2.9
55.05492	3.3
55.47470	2.3
59.05001	100.0
59.35941	2.3
59.76297	2.3
67.05490	6.5
67.97336	2.4
69.07059	7.2
69.58981	12.8
69.59394	5.7
76.15082	2.1
79.05477	4.3
81.07034	4.7
83.04972	3.8
85.85551	2.2
91.05489	18.1
93.07029	2.6
95.08585	4.3
98.20779	4.9
105.06383	4.4
105.07028	53.5
107.08569	7.7
111.04436	15.4
117.06995	9.5
119.08584	13.3
121.10143	4.6
129.07021	6.0
131.08574	29.5
133.10156	5.5
135.08032	10.1
141.06958	6.0
142.07758	5.7
143.08551	16.6
144.09332	3.8
145.10120	19.0
149.09616	2.6
153.06799	2.2
155.08546	39.3
156.09346	6.1
157.10126	37.3
159.11688	40.7
161.13246	4.8
165.06960	3.6
167.08556	5.9
168.09276	2.6
169.10129	10.4
171.11694	29.1
173.13307	6.0
175.14871	3.7
179.08588	4.5
181.10078	17.7
182.10872	3.3
183.08087	3.3
183.11736	10.8
185.09622	2.4
185.13208	11.2
193.10158	6.9
195.11684	17.4
196.12393	2.7
197.09483	3.8
197.13258	8.2
197.27005	2.8
203.14284	3.4
205.15883	3.2
207.11769	3.0
209.13181	12.5
211.11261	4.8
211.14827	32.8
213.13094	2.2
213.16377	32.9
221.13208	5.3
222.14096	3.1
223.14792	3.5
225.16336	2.7
227.17918	13.5
235.14810	8.0
237.12744	3.5
237.16344	25.9
239.14253	5.8
251.17926	5.4
253.15797	7.5
255.17392	24.2
257.15335	11.7
261.16403	8.7
273.18445	7.5
279.17426	20.2
297.18533	15.9
315.19437	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	315.1954
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03944	0.7
55.05508	2.2
57.07075	1.2
59.04989	0.7
65.03933	0.7
67.05500	3.5
69.03418	1.9
69.07071	2.5
69.63165	4.4
71.04988	0.7
78.14925	0.6
79.05499	6.2
81.03423	0.9
81.07064	4.1
83.04982	1.1
83.08648	0.8
85.06531	1.4
91.05470	3.6
93.07033	6.5
95.04980	1.9
95.08601	8.5
97.02874	0.9
97.06525	4.8
99.08116	1.6
103.05479	1.5
105.07030	23.6
107.04979	1.0
107.08593	12.4
109.06542	2.2
109.10150	3.4
111.04462	2.4
111.08104	0.8
117.07001	2.6
119.08582	9.0
121.06515	2.4
121.10128	5.4
123.08065	7.5
123.11670	0.6
125.06044	0.7
129.06995	2.2
131.08577	4.6
133.06493	100.0
133.10124	4.5
134.06839	2.5
135.08055	8.3
135.11691	1.5
137.05925	0.7
137.09624	1.2
141.06873	0.7
142.07787	1.6
143.08612	3.8
144.09256	0.9
145.10133	5.2
147.08054	1.5
147.11716	1.6
147.22632	0.6
148.08807	0.8
149.09589	3.6
151.11143	0.8
155.08559	2.0
156.09273	0.7
157.10136	7.5
159.08043	0.9
159.11691	6.6
161.06009	0.9
161.09622	3.6
161.13298	0.8
163.07672	0.7
163.11205	1.2
165.09163	1.1
166.07793	0.6
167.10660	1.0
168.09344	0.7
169.10095	3.4
170.11006	0.9
171.08046	1.0
171.11716	5.5
173.09636	2.7
173.13269	6.0
175.11176	1.8
175.14844	1.5
177.12758	1.1
181.08717	0.7
181.10133	1.9
183.11662	2.0
185.09653	3.6
185.13216	3.6
187.11258	3.0
187.14903	0.9
189.09030	0.6
189.12782	2.3
191.14220	0.9
193.10126	1.1
195.11717	2.7
197.09792	0.6
197.13277	2.0
199.11163	2.8
199.14824	2.7
200.11943	0.7
201.12717	1.6
203.10692	1.5
203.14252	0.7
205.12332	0.8
205.16034	1.1
207.11769	0.9
209.13286	1.8
211.11325	1.1
211.14809	1.9
213.12782	2.5
213.16379	1.4
215.10736	1.1
217.12216	0.7
217.15955	0.7
219.13789	0.8
222.13957	1.1
223.11246	0.9
223.14803	1.0
225.12755	0.7
225.16443	1.1
227.10716	0.8
227.14293	0.6
227.17998	1.7
231.10147	1.2
231.13861	1.3
237.12729	1.3
237.16391	3.5
241.12167	1.1
245.11748	2.4
245.15422	0.8
251.17931	2.1
253.15778	1.5
255.13597	1.1
255.17531	5.9
259.13263	1.0
261.16418	1.0
269.19037	5.4
271.17017	0.9
273.18469	2.2
279.17398	3.8
283.09708	1.4
287.16422	3.6
287.19409	1.1
297.18536	13.1
315.19565	62.3
316.19876	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	315.1954
Annotation	DACP analog of retinoic acid
Peak:m/z	Relative Intensity
50.50621	1.8
50.84555	1.7
53.03942	3.6
55.01871	3.5
55.05510	12.7
57.07077	2.3
59.04999	61.9
61.20883	1.8
65.03918	2.3
66.98537	1.8
67.05507	21.1
69.03408	3.9
69.07061	15.0
69.32857	16.3
69.33260	3.5
70.30908	2.2
71.04982	3.1
79.05487	22.6
81.07045	32.1
83.04984	9.1
83.08592	5.1
85.02910	2.4
85.06537	5.0
88.32665	1.6
91.05475	44.4
93.03397	2.0
93.07046	30.9
95.04962	7.9
95.08603	26.9
97.02863	5.1
97.06507	6.6
97.10149	2.1
101.49813	1.6
103.05459	2.2
105.07025	100.0
107.04942	5.2
107.08588	40.7
109.06500	7.4
109.10138	13.1
111.04444	34.8
111.08054	5.5
115.05418	2.9
117.07002	19.2
119.07774	3.6
119.08572	40.6
121.06519	9.5
121.10137	23.3
123.08051	8.1
123.11725	4.3
125.05974	3.9
128.06224	3.6
129.07004	11.1
130.07797	1.9
131.08559	84.1
133.06483	19.9
133.10132	21.5
135.08055	38.2
135.11641	5.4
137.05972	2.3
137.09602	2.9
139.07458	3.1
141.06966	7.3
142.07756	8.6
143.08569	26.6
144.09354	2.9
145.09041	3.0
145.10117	43.9
146.10698	2.5
147.04330	3.7
147.08018	4.1
147.11703	10.0
148.08694	2.3
149.09618	13.2
149.13237	2.7
151.11122	2.5
152.06197	2.0
155.08553	34.4
156.09337	8.9
157.10104	40.0
158.10890	3.3
159.10445	3.6
159.11685	47.1
161.09633	7.2
161.13235	7.0
163.07419	2.5
163.11150	5.9
165.06975	3.6
165.09122	3.0
166.07806	2.9
167.08507	6.8
167.10681	2.4
169.10101	20.8
170.10881	2.1
171.08066	3.5
171.11668	24.4
173.09665	4.2
173.13255	15.4
175.11140	3.0
175.14830	4.8
177.16411	2.4
179.08609	7.9
181.10065	16.7
181.12292	2.9
182.10889	2.9
183.08066	2.1
183.11690	12.6
185.09624	7.9
185.13254	14.2
187.11177	4.9
187.14819	7.2
187.71518	2.1
189.12813	2.6
193.10156	7.1
194.10834	3.6
195.11681	16.5
196.12387	5.8
197.09627	4.6
197.13249	13.2
199.11147	5.8
199.14848	8.6
199.16757	2.8
201.12698	3.1
201.16260	3.1
203.10670	3.3
203.14275	6.6
205.10258	2.6
205.12195	3.7
205.15903	10.1
207.11845	3.3
209.09612	3.1
209.13275	13.1
211.11223	4.6
211.14766	22.1
213.12740	3.3
213.16360	21.7
217.12256	4.5
217.15845	2.8
221.13170	5.7
222.13966	2.4
223.11226	4.2
223.14848	3.8
225.12732	2.7
225.16254	3.4
227.10638	3.9
227.14413	3.2
227.17894	11.7
231.13927	3.3
235.14751	7.8
237.12782	3.7
237.16364	21.1
239.14272	5.2
241.12231	4.1
241.19418	2.6
245.15446	2.8
246.14058	3.1
251.17889	11.8
253.15901	5.3
255.13763	3.0
255.17387	15.2
257.15302	7.4
261.16440	4.5
269.18948	7.3
271.16968	4.9
273.18454	8.7
279.17471	18.8
283.09641	6.3
287.19955	3.2
297.18457	46.3
315.19501	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1955
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03944	1.5
55.01865	3.2
55.05515	6.8
56.61146	1.0
57.03417	1.1
57.07076	1.8
58.92830	1.0
59.04992	2.1
65.03935	1.8
67.05185	0.8
67.05508	12.3
69.03421	8.1
69.07065	5.0
69.28397	7.0
69.28819	3.2
69.66380	0.8
79.05064	1.3
79.05494	20.8
81.03423	1.1
81.07056	15.4
83.05009	4.3
83.08614	2.8
85.02862	0.9
85.06529	1.4
91.05480	20.3
93.07047	33.5
95.04973	5.4
95.08044	1.7
95.08608	19.8
97.02891	3.6
97.06519	6.0
98.21590	1.0
99.08076	1.6
103.05478	1.7
105.07034	35.1
107.04949	3.4
107.08602	43.9
108.39034	0.9
109.02879	1.0
109.06520	9.6
109.10158	8.4
111.04442	5.5
111.08085	3.1
113.96691	0.9
115.05416	1.8
117.07024	11.4
119.08586	31.7
121.06522	13.3
121.10152	14.4
123.04397	1.4
123.08054	12.3
123.11683	3.3
125.09666	1.8
128.06200	2.7
129.07005	4.2
130.07823	1.5
131.08556	13.8
133.06499	51.3
133.10132	20.6
134.06801	1.3
135.08060	56.4
135.11665	5.6
137.06020	1.2
137.09621	4.9
139.07513	2.0
141.07025	1.6
142.07762	2.3
143.08600	9.0
144.09370	1.5
145.06506	2.1
145.10138	12.8
147.08076	8.1
147.11684	6.0
148.08844	1.2
149.06068	1.7
149.09627	22.9
149.13326	1.1
151.11159	2.8
155.08551	4.2
156.09338	3.8
157.10135	13.3
158.10886	1.7
159.08052	3.3
159.11699	13.3
161.09628	16.0
161.13249	3.8
163.07582	2.1
163.11171	3.9
165.09111	8.3
167.08553	2.2
168.09520	0.9
169.10149	6.3
170.07275	1.1
170.10945	1.6
171.07968	1.8
171.11696	10.6
172.08821	1.7
173.09610	4.2
173.13271	6.0
175.07512	0.9
175.11211	5.9
175.14830	3.7
176.11969	2.1
177.09082	1.1
177.12711	3.2
179.08688	1.0
179.10689	5.6
181.08670	1.4
181.10120	3.8
181.12265	2.0
182.10921	1.9
183.11702	4.8
185.09666	4.7
185.13216	5.0
187.11194	8.0
187.14810	2.1
189.09079	3.6
189.12759	2.7
191.10760	1.2
193.10187	1.8
194.10898	1.8
195.11694	5.7
197.09613	1.0
197.13272	3.8
199.11166	5.5
199.14877	6.3
201.09151	1.0
201.12752	4.2
201.16429	0.9
203.10632	2.0
203.14265	2.0
205.12271	2.0
207.10181	1.6
209.13243	3.8
210.13899	1.0
211.11324	1.1
211.14890	4.3
213.12817	4.6
213.16431	2.3
215.10667	2.6
217.12299	2.0
217.15886	1.8
218.16682	0.9
219.13789	1.2
222.14113	1.1
223.11160	1.5
225.16406	2.4
227.10742	2.5
227.14299	1.7
227.17928	4.0
228.15324	1.1
231.13748	1.5
235.14952	1.5
237.12804	1.5
237.16367	5.4
241.12193	1.7
241.15706	1.0
241.19421	1.8
245.11746	2.8
251.17979	5.6
253.15878	1.8
253.19664	1.2
255.13736	1.4
255.14961	1.1
255.17422	8.4
259.13235	0.9
261.16379	1.8
269.19034	17.3
273.18472	3.7
279.17487	5.7
287.16431	3.7
287.19946	2.8
297.18497	27.9
298.18802	1.2
315.19559	100.0
316.19836	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1955
Annotation	Mitrekaurenone
Peak:m/z	Relative Intensity
50.65877	1.4
53.03944	2.5
54.40232	1.3
55.01868	2.4
55.05510	10.0
57.03427	3.3
57.07067	1.4
60.51717	1.5
61.23666	1.3
65.03951	3.0
67.05512	18.6
69.03423	6.4
69.07067	12.6
70.06596	2.7
70.72889	1.9
70.73231	3.0
71.04974	3.3
72.04958	1.3
72.08141	2.0
79.05493	21.3
81.03400	3.8
81.07055	27.4
83.04957	7.0
83.08598	3.9
84.04498	2.1
85.02895	5.0
85.06555	1.9
86.09706	14.1
91.05474	30.1
93.03400	1.4
93.07042	40.6
95.04951	10.6
95.08608	21.2
97.02878	8.8
97.06529	3.9
97.10250	1.3
103.05488	2.7
105.07030	45.7
107.04942	5.6
107.08588	35.2
109.06512	10.8
109.10173	14.9
111.04453	12.5
111.08089	5.3
115.05489	1.9
116.07053	3.2
117.07007	15.2
119.04979	4.1
119.08578	32.1
121.06490	11.8
121.10134	12.1
123.08048	4.9
123.11679	3.8
125.06002	5.2
125.09611	1.9
127.03906	1.8
128.06233	3.1
128.14310	1.2
129.07033	8.0
131.08563	20.5
133.06508	14.5
133.10120	18.8
135.08058	18.9
135.11685	9.4
137.05969	4.2
137.09598	3.4
139.07507	2.0
141.06979	5.1
142.07788	5.7
143.08562	15.2
145.06418	1.7
145.10109	26.5
147.04405	5.5
147.08014	5.3
147.11728	7.8
149.05969	2.3
149.09615	8.4
149.13216	2.3
151.07523	2.3
151.11147	3.4
153.09085	1.5
155.08580	8.5
156.09341	3.3
157.10107	16.5
157.13368	4.2
158.10904	2.3
159.08116	1.8
159.11716	15.9
161.09641	5.5
161.13254	4.2
163.03885	2.5
163.07545	2.3
163.11206	5.3
165.07016	2.4
165.09076	3.7
165.12666	2.3
167.08597	3.6
169.10139	7.6
171.08009	2.5
171.11690	12.5
173.09576	4.2
173.13263	5.9
175.11237	3.3
175.14861	2.5
179.10602	2.8
180.09409	1.4
181.10130	8.3
182.10876	2.7
183.08005	1.7
183.11676	8.4
185.09627	4.4
185.13181	9.3
187.11171	5.2
187.14822	4.6
189.09187	2.1
189.12779	2.3
189.16394	1.9
193.10060	1.7
194.10930	1.6
195.08115	1.9
195.11740	9.4
197.09596	1.6
197.13292	6.8
198.78532	1.4
199.11122	7.3
199.14790	7.4
201.00650	1.6
201.09062	1.8
201.12723	3.7
203.10689	2.3
203.14371	3.1
205.12268	2.7
207.11804	1.4
209.13257	6.0
211.14859	5.6
213.09111	1.5
213.12729	4.2
213.16296	1.6
215.10704	1.9
217.12228	3.5
217.15889	2.8
219.13794	1.9
223.11171	2.8
225.12766	1.8
225.16434	3.2
227.10733	2.7
227.14197	1.9
227.17770	2.7
229.12193	2.7
231.13939	3.4
235.14798	2.5
237.12799	2.5
237.16362	5.4
241.12236	5.3
241.19319	3.1
245.15500	2.2
251.14168	1.9
251.18011	7.5
253.19667	1.8
255.13794	2.2
255.17444	3.1
269.15582	1.9
269.19012	6.6
271.16910	1.7
279.17612	6.7
287.20087	5.5
297.07742	1.7
297.18530	33.3
314.05365	1.7
315.05008	1.6
315.13773	5.4
315.19540	100.0
316.19794	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1956
Annotation	DACP analog of retinoic acid
Peak:m/z	Relative Intensity
53.03941	2.8
55.01874	5.5
55.05508	9.0
56.96575	2.3
57.03423	2.1
59.05002	100.0
65.02841	1.8
65.03927	2.6
67.05506	15.4
69.03432	5.4
69.07069	13.3
69.17978	2.1
69.28836	5.9
69.29263	19.1
71.04996	2.4
77.00632	2.0
79.05502	12.1
81.07064	15.9
83.04974	5.3
83.08630	4.7
85.02927	1.9
85.06548	2.4
91.05480	27.5
93.03383	2.1
93.07043	18.2
95.04980	6.6
95.08601	14.0
97.02906	4.3
97.06542	7.8
98.97599	5.1
105.07030	73.5
107.04948	2.6
107.08598	22.2
109.06556	10.0
109.10158	5.6
111.04449	17.5
111.08096	3.0
117.07020	11.9
119.08575	27.1
121.06496	5.8
121.10123	13.1
123.08071	7.4
123.11717	4.4
125.05997	5.8
128.06213	3.0
129.07005	9.0
130.52785	2.1
131.08578	38.3
133.06500	41.1
133.10106	10.6
135.08061	25.0
135.11707	4.6
137.05980	3.1
137.09590	2.4
141.06989	6.5
142.07773	6.2
143.08575	27.6
144.09358	4.3
145.10120	24.2
147.08035	4.0
147.11755	7.3
149.09654	12.9
151.07582	3.7
155.08562	38.5
156.09358	4.5
157.10139	43.0
159.11700	51.8
161.05991	3.8
161.09659	5.3
161.13329	6.5
163.14798	4.1
165.07089	3.0
165.09126	3.2
167.08594	6.9
168.09265	2.6
169.10132	14.0
170.10854	2.6
171.08054	2.5
171.11687	32.3
172.12331	2.0
172.77216	2.2
173.13185	13.7
175.11176	2.7
175.14862	3.8
179.08551	5.7
180.09386	4.3
181.06511	3.4
181.10129	17.1
182.10832	3.1
183.08054	3.8
183.11737	16.7
185.09563	4.8
185.13237	13.6
187.11182	2.4
187.14824	3.2
191.10646	4.9
193.10144	7.9
195.08076	3.5
195.11702	17.9
197.09637	4.2
197.13191	12.0
199.11186	4.0
199.14847	4.5
203.10638	2.3
203.14362	2.9
205.10091	2.4
205.15869	4.1
207.11761	3.6
209.09581	4.9
209.13293	14.4
211.11302	4.2
211.14824	35.7
213.12785	1.8
213.16389	32.8
217.15820	2.5
219.11871	2.8
221.13234	7.9
223.07622	2.3
223.11244	4.7
223.14769	3.2
224.62860	2.3
225.16389	5.3
227.10611	2.5
227.17880	18.3
235.14836	8.8
237.16374	35.2
239.14395	7.7
246.14169	2.1
251.17993	10.4
253.15872	10.0
255.10225	4.3
255.17445	38.3
257.15366	8.0
261.16333	10.4
269.19110	4.2
271.17065	4.1
273.18546	11.1
275.10263	2.5
279.17377	25.6
283.09659	8.6
287.20175	2.5
287.34814	2.3
297.18533	33.7
304.62198	2.4
315.12204	4.0
315.19601	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
50.59064	1.8
53.99785	2.0
55.01869	4.0
55.05518	11.3
57.03432	3.5
65.03938	1.8
67.05507	18.0
67.28843	1.9
69.03426	6.6
69.07074	15.3
70.20509	5.8
70.20924	3.6
70.55264	2.0
71.04994	4.4
79.05492	21.0
81.03401	2.5
81.07051	23.3
83.04985	6.9
83.08599	4.3
85.02910	5.1
85.06580	2.2
91.05486	31.6
93.07048	34.2
95.04989	11.2
95.08607	23.5
97.02892	5.5
97.06522	6.9
97.10143	3.0
98.21466	2.8
103.05476	3.1
105.07037	74.4
107.04922	2.2
107.08601	38.2
109.06513	9.4
109.10177	17.2
111.04449	18.5
116.01672	3.0
116.06247	2.6
117.07024	13.6
119.07784	3.5
119.08582	39.7
121.06489	11.1
121.10148	19.4
123.04391	2.1
123.08058	5.5
123.11728	2.5
125.05984	6.1
125.09636	2.5
128.06239	3.7
129.07030	10.9
131.08572	44.0
133.06480	11.2
133.10123	22.4
135.08070	12.7
135.11708	10.2
137.09654	1.9
139.07484	2.7
141.06985	2.9
142.07759	5.6
142.12355	2.7
143.08559	14.6
143.12625	2.7
144.09389	2.6
145.06523	2.3
145.10126	28.8
147.04420	5.3
147.08057	5.9
147.11726	11.0
149.05983	2.3
149.09624	9.6
151.07556	3.0
151.11169	2.1
153.09149	2.2
154.94208	6.9
155.08578	8.2
156.09332	5.3
157.10156	22.0
158.10878	2.9
159.08073	5.0
159.11705	22.9
161.05957	2.2
161.09654	7.4
161.13271	5.7
163.11174	4.8
164.04471	1.9
165.09137	3.7
165.12811	4.2
167.08546	4.1
168.09413	2.2
169.10139	9.8
170.10962	3.3
171.08134	3.0
171.11723	19.9
172.95309	14.1
173.09615	5.6
173.13246	13.9
175.11206	5.9
175.14809	2.9
179.08691	2.3
179.10643	3.3
180.09341	2.4
181.10135	6.1
181.12163	1.7
181.66048	1.8
183.11710	9.8
184.12440	3.1
185.09641	4.1
185.13269	9.2
187.11168	5.8
187.14787	6.0
189.09131	2.3
189.16415	2.4
190.96294	6.0
191.10617	3.1
193.10172	3.1
193.12218	2.8
194.10918	2.7
195.11690	9.4
197.13239	7.8
199.11232	7.0
199.14832	11.1
201.12756	3.1
203.10678	5.4
203.14377	8.1
209.13298	6.3
211.11171	3.9
211.14856	2.4
213.12732	4.7
215.10759	4.9
215.14262	3.0
217.12271	3.3
217.15770	3.8
217.73605	1.7
219.13812	2.1
223.11320	3.1
225.16396	2.8
227.17879	2.5
231.13741	3.4
237.12672	2.8
237.16492	3.5
241.12321	4.6
251.17998	8.5
253.15958	4.5
255.13809	3.6
255.17395	3.5
269.18979	8.8
271.16928	13.4
273.18369	2.5
275.39774	2.0
279.17462	10.2
283.09634	4.1
285.18494	4.2
287.05579	2.1
287.20105	5.0
291.07019	2.4
292.07056	7.6
297.18542	33.1
310.08099	5.4
315.19568	100.0
315.28415	6.0
316.19965	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	315.1954
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03951	0.8
55.01864	1.4
55.05513	4.3
57.03439	0.5
57.07074	0.8
59.04985	0.5
65.03933	1.3
67.05502	7.1
69.03425	5.9
69.07066	5.0
70.09042	1.8
71.04961	0.8
78.04688	0.5
79.05059	0.6
79.05491	9.1
81.06580	0.6
81.07056	9.7
81.54479	0.4
81.65929	0.4
83.04990	3.9
83.08625	1.9
85.06527	1.1
87.90925	0.5
88.72500	0.4
91.05472	10.3
93.07039	15.8
93.07624	0.8
94.07820	1.0
95.04974	3.1
95.08598	10.0
97.02892	3.3
97.06528	8.2
97.10276	0.4
103.05430	0.6
105.07026	16.3
107.04949	2.7
107.08591	17.7
108.09387	0.4
109.06516	7.3
109.10153	4.5
111.04445	9.3
111.08064	4.1
111.13438	0.4
115.05485	1.3
116.34348	0.5
117.06995	3.7
119.05043	0.4
119.08581	18.9
121.06507	12.0
121.10130	11.5
122.07318	2.8
123.04389	0.5
123.08055	7.6
123.11705	1.5
125.05974	1.9
125.09637	0.5
126.29821	0.4
128.06192	1.1
129.06993	2.5
130.07707	0.5
131.08565	7.7
133.06474	2.2
133.07434	0.6
133.10126	13.7
135.08049	35.8
135.11655	3.5
137.05975	0.9
137.09605	1.7
139.07513	2.0
141.06964	1.2
142.07791	2.4
143.08543	5.1
144.09320	1.6
145.06464	1.2
145.10114	11.2
146.07327	0.7
147.08044	3.9
147.11682	6.3
148.12344	0.4
149.05913	0.7
149.09608	11.6
149.13249	0.5
151.07564	1.3
153.09071	0.5
155.08551	2.6
156.09354	3.7
157.06487	0.5
157.09030	0.4
157.10121	11.6
158.10881	1.2
159.08069	2.5
159.11687	12.6
160.08786	0.6
160.12430	0.5
161.09605	7.1
161.13257	5.0
163.07547	0.7
163.11182	2.4
165.07069	0.5
165.09117	1.3
167.08595	1.1
169.10114	3.3
170.10924	2.9
171.08012	1.0
171.11685	11.8
172.08833	0.9
172.12450	1.2
173.09676	3.4
173.13261	6.9
174.10239	0.8
175.07489	0.7
175.11168	6.7
175.14786	4.8
176.11920	0.5
177.12701	2.0
179.08568	0.8
179.10602	1.0
180.09392	0.7
181.10146	2.0
182.10831	1.2
183.08052	0.9
183.11679	3.7
184.12437	1.1
185.09659	4.4
185.13245	7.9
186.10318	0.4
186.13977	1.1
187.11168	11.9
187.14740	2.9
188.11877	1.2
189.09004	0.6
189.12758	3.3
191.10675	0.6
193.10153	1.3
193.12074	0.4
194.10907	1.3
195.11679	4.7
196.12437	0.9
197.09679	0.7
197.13243	3.5
199.11162	4.7
199.14798	6.3
200.15659	0.7
201.12761	4.4
201.16295	0.6
202.13573	1.5
203.10678	2.1
203.14294	15.2
204.14906	0.8
205.12242	1.0
205.15883	1.1
207.11682	1.6
208.12492	0.7
209.09608	0.8
209.13252	3.8
211.11179	1.3
211.14789	2.8
213.09119	1.0
213.12733	5.2
213.16360	2.6
215.10796	0.7
215.14273	1.7
216.73747	0.4
217.12251	1.9
217.15927	0.7
219.11865	0.7
219.13791	1.6
220.12515	0.7
221.13295	0.9
222.14050	1.1
223.11201	1.2
223.14685	2.0
225.12778	1.1
225.16365	1.1
227.10741	2.4
227.14215	2.1
227.17906	4.2
229.12210	0.6
231.13847	1.6
235.14664	0.9
236.15671	0.8
237.12706	1.8
237.16376	4.4
239.14313	0.9
240.15091	0.6
241.12279	1.9
241.19519	2.2
245.11755	0.9
245.15495	0.5
249.12886	0.5
251.17973	3.6
253.15900	1.5
253.19727	0.6
255.13898	2.2
255.17410	7.5
257.15338	1.0
259.13251	0.8
269.18994	8.2
271.16953	0.6
273.14990	1.1
273.18488	2.7
279.17493	4.4
287.20029	1.9
297.18469	20.3
298.18878	0.6
315.19537	100.0
316.19888	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1956
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
52.99180	2.0
53.03951	1.8
55.01859	2.2
55.05501	6.2
57.07069	2.8
58.46121	1.9
59.05004	36.2
67.05506	18.0
69.03432	4.2
69.07077	13.4
70.07692	3.0
70.08092	8.3
71.04972	2.9
74.11496	2.0
77.03984	2.3
79.05492	20.2
81.07064	25.3
83.08611	4.4
84.20494	2.1
85.06501	2.7
91.05479	23.8
93.07045	20.9
95.04968	10.5
95.08615	25.6
95.76067	2.2
97.06535	8.0
97.10207	2.7
97.34872	1.8
103.05470	2.9
105.07035	51.0
107.04968	6.0
107.08601	37.8
109.06532	8.4
109.10139	11.6
111.04453	9.3
111.08083	3.7
113.06005	2.0
115.05449	2.1
117.07021	9.0
119.07784	3.4
119.08579	34.8
121.06510	9.4
121.10135	14.5
123.08090	8.3
123.11679	4.8
125.05998	11.8
126.76923	2.4
129.07014	4.1
130.07805	2.4
131.04913	2.3
131.08575	27.7
131.64357	2.0
133.06506	43.1
133.10132	20.0
135.08058	25.9
135.11659	9.4
137.05984	3.8
137.09619	4.8
139.07584	2.3
142.07794	5.5
143.08568	17.6
144.09358	3.5
145.10126	23.8
147.08029	5.5
147.11699	5.8
149.06018	2.8
149.09651	10.7
149.13281	4.2
151.07532	3.5
155.08557	13.9
156.09355	5.9
157.10129	27.5
158.10844	2.8
159.08064	2.9
159.11696	36.4
161.09630	9.0
161.13251	6.3
163.11253	3.2
165.09140	2.4
167.08571	3.0
169.10120	14.2
171.11671	22.4
173.09636	6.9
173.13271	14.4
175.11195	9.3
175.14821	5.2
177.09105	2.6
177.12773	4.5
179.08568	3.1
181.10110	8.5
183.11748	9.2
185.09622	6.0
185.13277	12.3
187.07533	1.9
187.11200	7.2
187.14836	11.6
189.09108	2.2
189.12726	3.3
191.10645	3.8
193.10167	3.0
195.11713	8.7
196.12456	3.6
197.09535	2.3
197.13234	9.5
199.11215	6.5
199.14809	7.6
201.09077	3.2
201.12755	3.7
203.10710	3.3
203.14369	4.5
205.11964	2.0
205.15816	3.5
207.11784	2.0
209.13245	8.6
210.13898	1.8
211.11180	4.6
211.14847	13.5
213.13017	3.8
213.16373	14.7
215.14386	4.4
217.12299	2.2
221.13263	3.2
222.14149	2.6
223.11186	3.9
223.14917	3.0
225.16365	3.8
227.10786	2.9
227.14262	4.1
227.17947	9.4
228.15057	2.0
229.12294	2.7
231.13914	2.1
233.51030	1.9
235.14767	3.7
237.16301	13.3
239.14299	3.2
241.12212	3.9
241.19568	6.8
251.17986	11.1
253.15822	3.8
255.17403	13.0
257.15442	3.8
259.13300	2.1
261.16385	2.8
269.19083	21.6
273.18390	5.9
279.17429	12.6
287.17081	3.1
287.19968	13.0
297.18518	45.3
298.18671	2.2
315.19571	100.0
316.19778	4.3
333.20560	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	315.1955
Annotation	DACP analog of retinoic acid
Peak:m/z	Relative Intensity
50.12146	3.5
55.01872	4.0
55.05502	7.6
59.05006	100.0
67.05521	17.5
69.03425	4.1
69.07066	16.0
71.04685	7.1
73.77908	3.3
79.05498	12.8
81.07056	18.0
83.08622	5.4
91.05472	26.3
93.07047	21.8
95.08611	17.2
97.02916	4.7
97.06541	7.8
103.05494	4.9
105.07043	64.9
107.08608	23.6
109.06550	7.5
109.10164	11.4
111.04477	20.3
117.07030	12.6
119.08597	23.6
121.06496	5.5
121.10152	16.6
125.06030	4.0
129.07027	7.9
131.08583	42.5
133.06497	41.6
133.10130	15.5
135.08046	22.5
135.11731	6.9
141.07010	10.8
142.07773	5.1
143.08604	22.5
145.10164	26.7
147.08098	6.1
147.11719	5.5
149.09622	7.9
149.91891	3.8
153.06952	3.7
155.08572	34.7
156.09341	9.2
157.10123	39.4
159.11703	45.6
161.09634	6.4
161.13266	7.8
163.14783	3.9
165.07028	6.0
167.08611	10.9
169.10146	11.5
171.11691	41.7
173.13313	9.5
179.08568	5.7
180.09410	6.2
180.75195	4.1
181.10088	18.1
182.10898	4.4
183.11716	15.5
185.09630	6.0
185.13255	16.8
187.14926	4.3
194.10904	5.2
195.11699	15.8
197.09596	3.8
197.13304	7.9
199.11201	5.9
199.14894	4.9
203.10803	4.8
207.11874	4.6
209.13289	10.7
211.14799	32.0
213.16331	33.7
217.12315	4.6
217.15935	5.0
221.13298	5.5
222.13776	3.9
223.11195	5.2
227.17981	18.6
235.14851	9.7
237.16385	26.4
239.14334	9.1
251.17986	15.8
253.15886	9.6
255.17491	33.0
257.15417	11.2
261.16397	9.9
269.19156	6.9
269.22293	4.0
273.18564	10.2
279.17444	20.4
279.23041	8.6
283.09708	6.9
287.13998	4.2
297.12711	4.0
297.18546	34.2
315.13089	5.6
315.19571	63.9
315.23029	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	315.1955
Annotation	Mitrekaurenone
Peak:m/z	Relative Intensity
53.03943	1.7
55.01870	3.0
55.05504	6.1
59.04986	1.6
65.03907	2.4
65.15956	1.5
67.05509	16.2
69.03442	3.1
69.07052	7.5
79.05502	16.6
81.07059	26.2
83.04977	5.9
83.08619	5.4
85.15717	1.6
91.05477	21.2
93.03396	2.2
93.07055	29.9
95.04956	6.9
95.08618	21.1
97.02859	2.7
97.06521	2.1
105.07043	37.1
107.04950	5.2
107.08604	27.7
109.06497	11.0
109.10163	10.0
111.04443	24.3
111.08070	3.5
117.07032	13.3
119.04917	1.8
119.08593	31.4
121.06516	10.8
121.10147	15.2
123.08061	5.3
123.11674	4.4
125.05956	4.0
128.06276	2.2
129.07004	8.8
130.07782	2.2
131.08582	23.6
133.06509	10.6
133.10135	22.7
135.08064	34.8
135.11702	5.7
137.09586	2.6
139.07530	3.5
141.07080	2.8
142.07805	4.7
143.08577	13.3
144.09393	3.3
145.10120	21.4
147.08037	5.7
147.11697	11.3
149.09650	11.5
151.07484	1.8
155.08533	6.9
156.09322	3.1
157.10147	18.8
158.10899	3.4
159.08080	3.6
159.11705	15.6
161.09584	7.8
161.13234	5.6
163.07524	2.2
163.11200	10.9
165.07042	3.1
165.09076	3.2
167.08546	3.7
169.10150	8.9
171.08102	2.3
171.11699	10.9
173.09644	4.7
173.13268	7.1
175.11139	5.5
175.14847	4.2
177.16347	2.9
179.08466	2.5
179.10709	3.4
181.10092	5.7
182.10802	1.9
183.11752	7.8
185.09567	4.6
185.13226	9.0
186.13754	2.1
187.11172	4.8
187.14809	6.0
189.09087	3.0
189.12796	4.4
191.10748	2.3
193.10211	2.6
195.11707	9.1
197.09717	3.6
197.13251	8.0
199.11212	5.2
199.14871	9.1
201.09154	1.9
201.12793	2.7
203.14333	2.3
205.15866	5.7
209.13222	7.1
211.11139	2.9
211.14810	4.7
213.12752	3.8
215.10565	2.1
215.76646	1.5
217.12248	5.0
217.15881	1.8
223.11176	1.9
223.14653	2.0
223.68410	1.6
225.12749	1.9
225.16385	3.0
227.10687	2.5
227.18004	3.1
235.14912	1.9
237.12837	4.1
237.16331	5.1
241.12375	3.8
241.19592	3.0
243.13962	1.8
243.31525	2.0
251.17926	7.6
255.13837	4.2
255.17522	5.1
269.19028	12.3
271.16968	3.3
279.14822	1.8
279.17389	8.9
285.18445	1.9
287.20026	6.8
297.18515	39.1
315.19562	100.0
316.19980	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1956
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
50.92364	2.0
52.75771	2.2
52.92076	2.0
53.03942	4.0
55.01870	4.3
55.05523	10.3
57.03432	2.6
57.07076	14.7
57.82243	2.0
59.05007	5.4
65.03930	4.1
67.05511	19.3
67.51736	1.9
69.03426	7.0
69.07073	16.3
69.69498	9.0
69.69911	4.0
71.01349	2.5
71.05003	2.8
71.31909	2.2
72.08147	2.7
73.06548	2.9
79.05504	17.3
81.03419	6.4
81.07054	28.2
83.05004	10.5
83.08613	5.1
84.04520	2.1
85.02913	11.1
85.06547	12.4
86.06848	2.3
86.09702	11.8
91.05489	29.0
93.07055	41.8
95.04960	14.8
95.08620	23.8
97.02908	12.1
97.06541	9.9
98.21486	4.4
99.04461	2.4
102.54042	1.9
103.03963	2.1
103.05442	3.9
105.07038	72.8
107.04948	6.4
107.08599	50.9
109.06525	8.1
109.10159	16.7
111.04453	25.6
111.08094	4.2
113.05962	2.7
115.03923	2.5
115.05439	3.8
117.07022	16.7
118.07373	2.3
119.08585	47.0
120.08105	5.6
121.02864	2.4
121.06505	8.6
121.08446	2.9
121.10133	27.6
123.04449	5.2
123.08075	6.0
123.11713	6.1
125.06030	6.5
125.09642	2.9
129.07004	10.8
131.04948	8.1
131.08577	52.8
133.06496	16.9
133.10139	29.3
135.08075	21.8
135.09007	3.2
135.11668	20.8
137.05965	3.5
137.09630	4.6
137.13277	4.4
141.06964	4.8
142.07794	6.1
142.12286	53.7
143.08585	16.0
143.12621	45.5
144.09369	2.8
145.10112	29.7
147.08081	8.5
147.11636	10.8
149.09625	8.5
149.13303	5.2
151.07547	6.1
151.11156	2.2
152.91768	2.2
153.12753	7.1
155.08543	11.9
156.09346	8.1
157.10127	28.9
157.14246	3.2
159.08032	3.7
159.11697	26.2
161.06067	2.4
161.09656	6.2
161.13261	5.3
163.07542	3.6
163.11189	8.1
165.09163	5.4
165.12801	8.8
167.08582	3.6
168.09349	3.2
169.10120	15.5
170.10951	3.7
171.08151	3.6
171.11682	21.9
173.09683	5.5
173.13268	14.7
175.07500	2.0
175.11131	4.0
177.09151	2.2
177.12698	2.3
179.08592	2.9
179.10672	5.8
181.10190	8.0
181.12202	3.0
182.10869	3.1
183.07994	2.4
183.11725	10.7
184.12491	2.7
185.09644	5.0
185.13258	13.3
187.11237	6.9
187.14789	6.6
189.12772	3.2
189.16432	3.0
193.10255	4.0
193.12256	4.5
195.08023	2.6
195.11743	11.8
195.13411	2.5
196.12595	3.6
197.09671	3.1
197.13292	9.7
199.11224	6.9
199.14803	10.7
201.09189	2.5
201.12685	3.9
203.10675	2.6
203.14337	9.4
205.12288	8.2
207.13867	3.3
208.12604	2.4
209.13303	9.4
211.14743	10.1
213.09012	2.2
213.12779	5.8
215.10748	5.9
215.14236	2.8
217.12346	2.7
217.15919	6.5
219.13849	3.1
223.11246	3.9
223.14841	3.0
225.12814	2.2
225.16354	4.5
227.17879	5.1
231.13867	4.0
235.14841	5.0
237.16409	6.9
241.12241	3.5
241.19572	3.8
243.13777	2.9
251.18124	10.4
253.15926	4.9
255.13908	3.0
255.17557	8.1
269.19046	11.0
271.16934	13.7
279.17429	9.6
283.09503	3.8
285.18420	3.8
287.20032	6.4
297.18689	36.2
307.13391	2.3
315.12613	3.5
315.19592	100.0
315.28345	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1955
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03930	2.9
55.05511	13.6
59.05003	3.4
64.69492	2.1
65.03926	4.2
67.05502	19.3
69.03403	2.7
69.07067	13.0
70.86034	5.4
75.90829	1.8
79.05485	20.9
81.07052	18.9
83.04952	2.9
83.08607	5.5
85.41122	1.8
91.05480	34.7
91.14606	2.1
91.67625	1.6
93.07038	40.7
94.72501	1.8
95.04952	6.8
95.08606	27.0
97.02899	6.8
97.06509	3.5
97.10172	1.9
103.05489	2.4
105.06380	3.3
105.07035	45.8
107.04948	4.9
107.08593	92.6
109.06504	13.0
109.09454	2.6
109.10152	26.6
111.04427	19.4
111.08107	4.7
115.05442	2.9
117.07028	10.6
119.08578	100.0
121.06480	9.4
121.10140	38.8
122.07254	3.2
123.08069	10.9
123.11685	6.0
125.05974	6.4
128.06204	4.4
129.07005	6.8
131.08572	25.2
133.06482	10.7
133.09128	2.0
133.10124	43.6
135.08051	72.0
135.11679	9.0
137.05960	3.7
137.09598	5.5
139.07538	2.7
142.07780	9.8
143.08559	16.3
144.09315	6.3
145.10126	32.9
147.08041	9.8
147.11667	14.1
149.05942	1.9
149.09618	61.4
149.13208	1.9
150.10420	2.1
151.07520	3.7
155.08563	6.8
156.09328	11.1
157.10107	38.8
158.10892	7.5
159.08067	2.7
159.11700	35.0
161.09627	8.5
161.13240	3.7
163.07587	2.5
163.11227	3.8
165.07082	2.7
165.09146	4.7
167.08624	5.4
169.10127	30.0
170.10883	10.6
171.08052	3.2
171.11685	49.6
172.12369	4.0
173.09669	9.6
173.13269	58.6
175.11169	5.4
175.14845	3.3
179.08508	2.9
179.10710	6.8
180.09259	3.7
181.10112	9.7
181.12070	2.6
182.10846	2.7
183.11682	14.4
184.12466	5.6
185.09644	4.9
185.13249	33.7
186.13988	4.6
187.11209	10.1
187.14796	16.6
189.09175	2.9
189.12775	2.9
189.16299	3.3
191.10681	15.3
193.10208	4.0
194.10896	3.1
195.11624	15.4
196.12410	3.2
197.09631	2.2
197.13225	16.2
198.14026	2.6
199.11221	14.9
199.14819	24.5
200.15477	2.6
201.12721	13.4
203.10695	4.1
203.14272	2.7
205.12227	4.5
205.15892	3.0
207.11703	5.6
209.13280	13.6
210.13934	2.5
211.11105	3.0
211.14845	10.5
213.12732	7.2
213.16331	3.0
215.10733	2.4
217.10426	2.1
217.12209	9.8
217.15900	4.4
221.13274	2.8
222.13992	3.0
223.11192	3.2
223.14787	6.4
225.16376	25.3
227.10709	3.4
227.14420	3.8
227.17955	35.3
228.18219	2.4
231.13852	3.3
235.75890	2.6
237.12714	4.8
237.16339	8.9
239.14310	3.1
241.12317	4.5
241.19472	15.6
243.13969	2.2
245.11617	3.0
246.14058	2.5
249.16454	2.9
251.17937	24.3
253.15790	3.3
253.19495	2.6
255.13931	3.5
255.17450	16.8
267.17477	6.2
269.18997	25.7
273.18335	2.2
279.17426	15.1
285.18539	5.3
287.20081	7.9
297.18521	53.4
315.19543	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1956
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
50.19737	2.0
50.61152	1.6
53.03926	2.1
54.00331	1.5
55.01883	1.7
55.05517	12.2
56.06866	1.9
56.18290	1.5
57.07068	3.5
59.04987	2.4
60.04503	2.2
65.03941	2.1
67.05507	15.8
69.03400	1.9
69.07067	12.7
70.63580	6.6
71.04983	3.2
79.05492	19.9
81.07053	17.5
83.04982	4.7
83.08627	9.1
85.06522	2.7
91.05476	23.9
93.07047	28.9
95.04978	5.2
95.08614	24.5
97.02866	3.1
97.06535	3.2
103.05494	2.0
105.07040	46.2
107.04961	6.2
107.08600	62.8
109.06500	8.3
109.10158	39.2
111.04431	12.5
111.08066	4.5
115.97299	1.8
117.07030	7.5
119.08579	71.1
121.06515	5.6
121.10149	36.5
122.07268	6.9
123.04433	1.9
123.08088	14.2
123.11686	6.3
125.05980	7.7
125.09641	1.8
128.06210	3.8
129.07014	6.9
131.08556	14.5
133.05461	3.2
133.06490	65.4
133.10123	38.6
133.11084	3.0
135.07068	3.7
135.08046	29.3
135.11731	9.9
136.08836	2.2
137.05980	3.7
137.09587	2.6
139.07541	3.0
141.07005	1.9
142.07767	6.9
143.08556	17.8
144.09329	2.7
145.06538	3.2
145.10129	27.4
147.08064	8.3
147.11723	12.0
149.09622	55.4
151.07526	5.0
152.62878	1.7
154.40739	1.8
155.08566	5.8
156.09355	9.7
157.10135	29.5
158.10886	2.2
159.08028	2.7
159.11700	29.6
161.09598	7.8
161.13274	6.2
163.11215	3.5
163.19872	2.5
164.46350	1.7
165.09128	2.4
167.08577	4.3
169.10139	21.4
170.10921	9.6
171.08009	2.1
171.11690	43.8
172.12343	3.3
173.09641	7.2
173.13277	41.3
175.11177	4.8
175.14825	3.6
177.09128	2.6
179.08554	2.9
179.10690	5.9
181.10107	6.1
183.11725	10.4
184.12515	5.8
185.09624	4.8
185.13243	29.9
186.14050	2.9
187.11160	8.0
187.14830	18.7
189.09128	5.1
189.12761	3.7
189.16391	8.9
191.10669	9.7
193.10109	4.6
195.11673	11.8
196.12378	4.6
197.13287	14.1
199.11154	16.3
199.14813	26.1
200.15469	3.2
201.12744	8.2
203.10622	4.5
203.14221	2.3
205.12248	5.6
205.15833	2.8
207.11761	2.5
208.12549	2.5
209.13280	8.3
211.14777	10.6
213.12759	7.1
213.16443	2.5
215.10695	3.3
217.12245	8.4
217.15900	8.1
219.13799	2.0
222.14043	2.2
223.11208	4.9
223.14835	5.3
225.16406	21.8
227.10774	2.5
227.14415	3.4
227.17918	26.5
229.12196	5.0
231.13757	3.4
235.14810	2.6
237.16423	9.0
239.14206	2.0
239.17917	2.9
241.12279	5.4
241.19527	10.9
243.13741	4.2
249.16379	4.7
251.14192	2.0
251.17912	21.8
253.16013	3.9
255.13966	3.4
255.17439	14.1
257.15274	3.4
266.63712	2.0
267.17526	5.4
269.18976	24.6
273.18439	4.1
279.17435	14.2
285.18509	6.0
287.20010	10.0
288.66302	2.1
297.18460	67.1
298.18912	2.7
315.14148	4.2
315.19550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1956
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03946	1.7
53.98345	0.9
55.01855	2.8
55.05508	3.7
56.16648	0.8
57.07064	1.5
59.04985	1.3
65.03929	2.0
67.05235	0.9
67.05511	9.3
69.03439	6.4
69.07063	4.9
70.51057	3.6
71.04991	1.5
77.03938	1.0
78.44240	0.9
79.05492	21.6
81.06644	1.4
81.07060	14.7
83.04972	2.8
83.08618	2.4
88.53009	1.0
91.05488	20.7
92.23911	0.8
93.06475	1.9
93.07047	30.5
95.04941	4.3
95.08052	1.5
95.08607	15.7
97.02892	3.5
97.06532	7.8
98.20930	1.2
99.08096	1.1
103.05489	1.2
105.07034	25.0
107.04950	3.7
107.07860	2.1
107.08601	43.7
109.02882	1.5
109.06529	8.5
109.10166	10.1
111.04439	8.0
111.08083	2.9
115.05463	1.3
116.00179	1.0
117.07026	9.6
119.04983	1.0
119.08586	31.4
121.06509	15.9
121.10137	17.1
122.07335	1.1
123.04420	1.3
123.08076	9.5
123.11746	2.8
125.06026	1.8
129.06972	3.9
130.07785	1.2
131.08585	14.2
133.06499	22.5
133.07507	1.3
133.10126	19.7
135.08057	57.8
135.11670	5.9
137.05991	1.5
137.09592	3.8
139.07515	1.5
141.06989	1.8
142.07738	2.7
143.08565	8.4
144.09346	2.0
145.10133	11.3
147.08063	9.6
147.11636	4.9
148.08823	2.7
149.05939	1.1
149.09628	28.9
151.11278	1.9
155.08572	2.3
156.09326	2.3
157.10126	11.9
159.08081	1.9
159.11728	11.7
161.09615	13.2
161.13269	3.6
163.07504	1.4
163.11217	4.6
165.07033	1.5
165.09102	6.6
167.08499	1.7
168.09430	1.0
169.10106	6.0
170.10945	1.9
171.11688	9.6
172.12460	1.5
173.09630	3.5
173.13269	7.1
175.07628	1.2
175.11125	5.2
175.14874	2.1
176.11969	1.7
177.09097	1.3
177.12733	2.3
179.10747	4.8
180.09258	1.3
181.10153	2.8
181.12231	2.3
182.10896	1.7
183.11743	4.5
184.12430	1.5
185.09628	4.2
185.13243	7.0
187.11176	3.7
187.14871	2.5
189.09105	2.0
189.12790	2.2
189.16393	1.1
191.10686	1.2
193.10216	1.1
194.10924	1.1
195.08037	1.1
195.11745	5.2
196.12476	1.0
197.13263	3.3
199.11247	5.0
199.14772	5.8
201.12785	2.8
203.10680	3.2
203.14337	1.9
204.15132	1.2
205.12212	3.0
207.10045	2.0
208.12489	1.1
209.13237	4.2
211.11255	1.5
211.14818	2.8
213.09009	1.0
213.12784	2.5
213.16380	1.7
215.10655	2.1
217.12222	2.9
217.15813	2.5
219.13724	1.4
222.14185	1.3
223.11218	2.3
223.14862	1.1
225.16470	1.6
227.14322	2.2
227.17976	3.3
231.13840	1.1
237.16394	4.5
241.12265	1.4
241.19414	1.3
243.13846	1.7
245.11728	3.7
251.17973	5.3
255.13756	2.1
255.17398	7.1
269.16293	1.3
269.19012	7.5
273.18542	1.6
279.17487	6.1
287.16403	3.2
287.20123	2.7
297.18488	23.5
298.18939	1.1
315.19559	100.0
316.19821	2.5
319.67661	1.0
321.24924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1955
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
50.42974	0.5
53.03940	1.3
55.01865	2.0
55.05508	4.4
57.07064	1.0
59.04995	1.3
60.04521	0.7
65.03931	1.2
65.53204	0.6
67.05505	9.6
69.03424	5.6
69.07078	4.9
69.79205	3.3
69.79613	1.5
71.04991	1.2
73.06533	0.7
79.05058	1.2
79.05496	15.3
81.07063	13.2
83.04979	2.7
83.08607	2.6
85.06564	3.7
91.05484	15.5
93.06466	1.4
93.07048	26.0
95.04978	4.5
95.08610	17.4
97.02893	3.7
97.06528	6.9
99.08093	2.6
103.05462	1.4
105.07035	28.7
107.04964	3.5
107.08598	34.9
109.06522	9.3
109.10149	7.4
111.04440	4.4
111.08092	2.1
112.30786	0.6
113.06013	1.8
115.05447	1.3
117.07022	7.8
119.08585	26.2
121.06505	9.5
121.09309	0.9
121.10149	12.8
123.08067	11.2
123.11714	2.5
125.05993	2.3
125.09598	1.9
128.06248	1.7
129.06990	3.3
130.07759	1.4
131.08568	9.6
133.06497	57.5
133.10123	16.2
133.11082	1.2
135.08057	36.8
135.11670	7.0
135.18803	0.6
137.09613	3.6
139.03914	0.8
139.07565	1.3
141.05489	0.6
141.06921	0.8
141.09129	1.9
142.07780	2.6
143.08554	8.6
144.09326	1.7
145.06458	1.7
145.10129	12.6
147.08057	7.2
147.11719	4.8
148.08842	0.9
149.09616	13.9
151.07538	0.8
151.11185	2.6
153.06914	0.7
155.08589	3.6
156.09357	2.9
157.10132	12.9
158.10847	1.8
159.08093	4.1
159.11690	12.4
161.09624	12.6
161.13243	4.5
163.07555	2.6
163.11186	3.9
165.06979	1.2
165.09094	5.1
165.12744	0.6
166.07800	1.0
167.08592	2.0
167.10645	1.4
169.10110	4.9
170.10933	1.5
171.08032	2.3
171.11691	8.3
172.08887	0.8
173.09630	4.7
173.13281	7.4
175.07545	0.6
175.11194	6.0
175.14822	1.9
176.11990	1.2
177.09171	1.0
177.12729	1.9
179.10617	3.1
180.09425	1.1
181.08679	1.2
181.10115	3.1
181.12234	1.1
182.10959	1.0
183.11722	4.8
184.12444	0.9
185.09619	4.8
185.13266	5.1
187.11205	8.1
187.14771	3.0
189.09134	3.7
189.12752	2.2
189.16399	0.7
191.10687	1.3
193.10164	1.4
194.10950	0.7
195.11736	5.6
196.12465	1.4
197.09584	1.8
197.13217	4.4
198.10434	0.6
199.11186	6.3
199.14819	5.4
200.12125	0.8
201.09195	1.2
201.12759	4.5
201.16399	1.5
203.10664	2.6
203.14352	1.4
205.12282	1.8
205.15912	1.4
207.10121	1.5
207.11847	1.0
208.12520	1.1
208.67812	0.6
209.09721	1.0
209.13281	4.9
211.14799	3.9
213.09213	0.7
213.12772	5.5
213.16397	2.8
215.10666	1.5
215.14319	1.4
217.12241	1.9
217.15912	2.0
219.13768	1.3
221.13266	1.0
222.14012	1.0
223.11189	1.6
223.14891	1.7
225.12686	1.4
225.16447	1.7
227.10626	2.5
227.14336	2.1
227.17960	3.8
229.12373	1.0
231.13853	1.4
235.14899	1.3
237.12727	1.8
237.16389	4.9
239.14287	1.0
241.12210	3.1
241.19473	0.8
245.11780	2.9
245.15446	1.3
251.17978	7.1
253.15915	2.3
253.19563	1.1
255.13849	2.0
255.17448	11.2
257.15463	1.3
259.13370	1.3
261.16470	1.7
269.15799	0.9
269.19000	15.3
271.16937	2.3
271.20639	0.8
273.15125	0.5
273.18478	3.8
276.17786	0.7
279.17447	8.2
287.16443	4.4
287.20074	3.6
297.18497	27.7
298.19125	0.8
315.19559	100.0
316.19916	2.2
333.20609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.01869	14.9
55.05510	27.9
56.96567	4.7
57.03440	21.7
57.07082	7.4
59.04995	15.4
61.02926	26.9
67.05511	23.4
69.03434	28.6
69.07068	44.6
69.27035	36.4
69.76922	3.1
69.95287	3.1
71.01356	11.6
71.04987	6.7
71.13813	3.5
73.02921	25.5
79.05492	32.6
81.03417	9.5
81.07054	64.9
81.82664	3.1
83.04988	59.5
83.08605	8.1
85.02924	32.3
85.06559	14.3
86.09712	12.1
87.04460	4.6
91.05482	35.2
93.07045	67.2
95.04974	17.5
95.08614	51.6
97.02890	26.0
97.06529	19.0
98.97570	4.0
99.04397	4.0
99.08090	7.3
103.03964	26.7
105.07036	51.9
107.04960	10.1
107.08602	65.3
109.02866	8.2
109.06499	20.3
109.10165	22.5
111.08072	12.2
115.03931	20.6
115.07551	3.7
117.07037	9.1
119.08575	38.7
120.03600	3.2
121.06522	32.6
121.10148	67.5
122.06849	4.9
123.04449	4.5
123.08051	20.9
123.11707	13.7
125.05989	3.7
125.09623	6.1
128.06255	4.1
129.07082	3.5
131.04916	6.0
131.08562	19.2
133.04982	12.0
133.10136	24.0
135.04445	4.7
135.08061	38.9
135.11685	30.1
137.06001	17.0
137.09613	25.9
137.13281	11.6
138.05440	4.8
139.07565	8.8
141.09108	7.0
143.08582	5.4
145.02863	10.0
145.06514	7.0
145.10146	13.4
146.03212	12.1
147.04399	3.8
147.08043	11.6
147.11716	24.7
149.06065	4.5
149.09636	25.3
149.13254	9.7
151.07562	15.1
151.11179	23.9
153.09128	7.2
153.12761	8.2
157.10188	3.6
159.08044	6.1
159.11726	19.7
161.06015	6.9
161.09631	14.4
161.13211	9.4
162.05472	3.8
163.07599	3.9
163.11185	27.7
165.09164	11.1
165.12762	98.1
167.10727	4.7
175.11182	11.7
177.05516	15.8
177.09131	11.4
177.12740	37.3
178.05766	21.9
179.10669	7.5
179.14291	18.9
181.08687	4.0
181.12271	4.0
187.11189	6.1
189.12747	9.0
191.10701	4.6
191.14346	6.6
193.12299	6.5
195.02907	4.5
195.08054	3.7
195.10210	6.4
195.13866	14.9
201.12758	4.6
203.10631	4.3
205.08574	4.1
205.12303	6.3
207.13803	53.5
213.08025	3.9
213.11174	9.5
215.10677	4.1
219.13782	21.0
237.14861	18.5
239.12781	6.6
241.10593	5.4
243.13809	4.6
249.14774	4.9
251.16403	4.0
259.10922	4.4
261.14883	12.1
263.81592	3.8
265.08609	7.7
279.15955	30.6
283.09769	9.1
284.10184	3.8
297.11572	8.6
297.16980	100.0
315.09506	3.6
315.13599	27.3
315.18222	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63579	5.0
52.42229	4.7
53.03938	11.8
55.01862	15.5
55.05507	22.7
57.03434	16.4
57.07071	5.2
59.04992	17.8
61.02929	16.8
67.05511	28.4
69.03433	26.2
69.07070	44.9
69.78323	30.7
70.06569	6.0
71.04986	7.8
73.02911	17.9
79.05508	25.6
81.03408	11.3
81.07056	54.4
83.04985	58.4
83.08636	6.0
84.04507	10.8
85.02914	36.5
85.06525	19.7
86.09691	27.4
86.42545	4.5
89.03879	4.6
90.83355	5.3
91.05477	51.9
93.07046	100.0
94.07362	7.8
95.04958	21.4
95.08616	46.5
97.02905	30.8
97.06539	16.2
99.04452	6.9
99.08059	8.6
103.03923	29.4
103.05444	7.6
105.07030	58.5
107.04961	14.0
107.08599	85.9
109.06545	23.0
109.10143	33.2
111.04471	7.7
111.08061	10.5
115.03935	17.4
117.03365	13.2
117.07018	9.8
119.08587	41.7
121.06522	43.5
121.10142	59.0
122.06841	28.1
123.08051	17.7
123.11724	12.5
123.41684	5.1
125.05965	5.3
125.09596	9.9
127.03918	10.8
128.06313	4.8
131.04886	6.9
131.08582	25.1
133.04976	11.1
133.06503	29.1
133.10106	25.1
134.30127	5.3
135.08080	32.2
135.11691	45.2
137.05978	11.1
137.09607	22.9
137.13274	15.2
138.05556	9.8
141.09030	7.9
143.08546	14.4
145.02834	26.4
145.10103	11.3
146.03186	25.4
147.08073	12.1
147.11644	18.9
149.05997	8.7
149.09653	27.9
149.13336	5.8
149.20229	4.9
151.07576	15.8
151.11256	25.7
153.09132	8.0
153.12793	9.5
155.08594	5.1
157.07594	4.9
157.10181	10.1
157.13412	13.6
159.11681	24.0
161.06029	11.1
161.09647	17.4
161.13263	10.1
163.11218	21.6
165.12767	60.1
167.08629	6.2
171.11751	10.4
175.11304	10.1
175.53745	4.9
177.05502	53.9
177.09015	8.2
177.12773	27.8
178.05817	58.1
179.10678	11.0
179.14342	13.3
185.12991	12.8
189.12737	8.1
191.10603	7.4
193.12143	6.1
195.10068	5.1
195.13835	15.7
197.13345	5.9
201.12787	8.6
205.12241	5.5
207.13806	43.0
213.22548	4.7
219.13773	10.5
221.11771	5.3
233.04369	4.9
237.14810	17.5
261.14880	6.7
279.15921	16.4
283.09692	9.2
297.16904	81.9
298.54938	5.4
315.08365	5.8
315.13843	48.4
315.19678	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	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52810	4.0
53.03949	5.6
54.41433	2.9
55.01871	15.8
55.05516	18.1
57.03436	18.1
57.07077	18.0
59.04997	14.4
61.02930	25.2
67.05511	29.8
69.03429	30.9
69.07071	49.9
69.58064	9.7
69.58486	16.7
71.01366	6.9
71.04987	6.5
72.08147	4.3
73.02921	18.5
75.09084	3.4
79.05489	32.5
81.03420	9.4
81.07057	71.8
83.04984	48.4
83.08617	8.7
85.02914	30.5
85.06541	39.4
86.06884	5.7
87.04464	3.9
91.05486	41.2
93.07047	71.1
93.07626	4.3
95.04964	21.1
95.08606	52.5
97.02879	24.0
97.06540	18.3
97.10168	5.2
98.97588	10.6
99.08098	6.4
101.06010	5.4
103.03944	29.1
105.07027	67.2
107.04958	12.4
107.08595	81.8
109.02888	5.5
109.06532	22.9
109.10168	29.4
111.04430	8.8
111.08094	8.6
113.06045	5.3
114.09158	5.0
115.03921	21.2
115.05415	5.1
115.07552	3.8
117.07021	14.2
119.04919	4.5
119.07796	4.5
119.08593	51.2
120.08081	4.4
121.06541	26.1
121.10144	73.8
123.04440	3.4
123.08065	28.3
123.11704	20.0
125.05997	4.2
125.09647	5.4
127.07661	3.5
128.06247	4.3
129.07025	9.4
131.08548	23.5
133.04977	16.0
133.06534	10.0
133.10120	30.2
134.99750	3.8
135.08051	38.3
135.11723	22.4
137.05968	14.2
137.09639	28.0
137.13255	15.8
138.09087	3.7
139.07541	9.0
141.09093	6.0
142.07790	3.8
142.12268	62.4
143.08559	7.6
143.12625	54.6
144.09276	5.3
145.06569	3.5
145.10156	17.9
147.08083	8.6
147.11668	23.3
149.09624	35.3
149.13234	11.7
151.07533	18.8
151.11165	22.8
153.09119	8.4
153.12717	7.2
155.08549	5.7
157.10179	11.7
158.10913	3.8
159.08061	8.8
159.11658	25.2
161.05971	6.7
161.09641	12.1
161.13171	5.2
163.07565	7.3
163.11162	24.1
165.09120	14.9
165.12762	98.6
167.10620	5.9
169.10152	8.5
171.10359	3.6
171.11717	10.7
173.09685	5.6
173.13264	7.6
175.11218	13.6
177.09119	10.2
177.12790	31.4
178.05696	3.8
179.10667	10.6
179.14301	20.9
181.08594	7.5
181.10081	4.7
181.12219	7.1
182.92578	3.0
183.11754	3.7
185.13246	8.4
186.47488	3.2
189.12769	10.2
191.10677	9.4
193.12277	8.4
195.10139	4.7
195.12216	3.6
195.13812	21.5
197.13254	5.6
199.15085	4.2
201.00829	3.9
201.12744	9.1
203.10645	5.9
203.14420	6.2
205.08652	5.4
205.12285	7.3
207.13817	48.1
213.11205	12.6
219.01892	5.4
219.13823	21.0
223.09601	5.0
233.15369	5.9
237.02899	4.0
237.12808	3.6
237.14844	16.5
241.10718	5.2
243.13776	4.0
255.11293	4.1
261.14896	13.3
269.08206	3.7
269.19022	7.0
279.15887	28.3
283.09790	7.1
291.03732	4.2
293.14325	3.4
297.16858	91.1
303.05020	19.1
304.05441	5.6
315.13391	26.0
315.19513	30.8
315.28329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43190	5.7
52.73716	6.4
53.00288	7.0
53.03939	8.4
53.74659	6.3
53.86698	6.3
55.01862	17.0
55.05511	51.5
55.45485	7.0
57.03444	32.2
59.04983	7.4
61.02922	13.5
65.74542	6.0
67.05481	14.8
69.03442	39.8
69.07049	23.0
70.06580	12.1
71.01369	9.9
71.05001	61.1
71.58472	12.9
72.08164	8.1
73.02912	20.6
79.05489	34.7
81.03414	13.5
81.07059	43.4
81.07446	7.4
84.04442	7.6
85.02896	72.3
86.09702	19.2
87.49508	5.5
91.05481	100.0
93.07040	83.3
95.04963	24.7
95.08607	31.7
96.04309	6.2
96.35277	5.8
97.02904	34.7
97.06512	13.3
98.97570	8.7
103.03922	10.1
105.07020	59.1
107.04939	18.0
107.08587	71.3
109.06518	45.3
109.10171	38.2
111.04400	8.4
114.67519	6.4
115.03944	21.8
117.07021	14.9
119.04934	6.0
119.08569	59.2
121.06464	12.8
121.10114	20.8
123.08049	24.2
127.03877	9.7
127.11139	10.8
129.05469	8.3
129.06993	9.4
131.08568	22.9
133.04958	26.4
133.06516	9.1
133.10141	16.5
135.08023	19.2
135.11705	42.1
137.05963	19.5
137.09625	12.8
139.11186	8.8
141.04854	10.7
143.08536	15.1
145.10115	29.9
147.04417	32.5
147.08044	21.2
147.11684	12.4
149.09619	14.4
150.77049	6.3
151.11189	17.6
153.12701	15.9
155.08586	7.1
159.11679	15.1
161.09702	10.2
163.03891	13.6
163.11221	17.5
165.12755	99.3
173.09601	29.7
173.13242	9.0
177.12750	28.6
189.12718	14.4
195.13879	11.9
207.13765	14.1
215.14325	7.0
219.13908	12.3
223.07385	9.9
231.13779	14.8
243.13744	12.8
261.14850	20.6
269.12744	6.6
274.09048	8.3
279.15927	25.0
297.16995	19.6
315.13046	7.6
315.18024	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	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
55.01869	23.5
55.05507	40.5
57.03437	30.5
57.07067	7.4
59.05009	6.8
61.02914	15.0
67.05511	20.9
69.03426	45.9
69.07064	25.2
70.06586	7.4
71.01360	8.4
71.04992	85.8
71.08625	5.2
71.50142	6.8
71.50495	4.9
72.08128	4.6
73.02931	22.1
73.03246	4.4
79.05495	30.5
81.03412	21.2
81.07058	64.2
82.05310	4.8
83.04980	8.7
83.06100	8.4
83.07413	3.9
84.08127	4.6
84.27304	4.0
84.55926	4.2
85.02907	87.5
85.06526	7.1
86.09713	7.7
87.04500	7.7
91.05482	81.7
91.06018	8.0
92.05804	5.5
93.07040	77.3
95.04966	27.7
95.08604	32.8
97.02891	28.5
97.06529	14.8
99.04485	4.9
103.03952	17.6
103.05441	5.2
105.06514	3.8
105.07033	100.0
107.04967	48.3
107.08592	79.4
109.02892	7.8
109.06528	44.7
109.10165	29.6
111.04431	7.9
111.04754	5.3
111.05560	97.4
111.08090	10.1
115.03899	22.0
115.05417	7.9
117.07018	24.6
119.04951	6.7
119.08587	86.5
121.06479	20.0
121.10149	20.6
123.08085	32.1
123.11694	7.1
125.09622	4.4
127.03905	13.7
128.06224	7.1
129.07004	13.2
131.04939	4.6
131.08548	48.1
133.04964	14.4
133.06487	23.8
133.10115	15.8
135.08090	20.7
135.11674	34.3
137.05937	11.5
137.09616	19.4
137.13190	4.3
139.11186	7.2
143.08545	34.1
145.04936	7.4
145.06488	12.0
145.10114	41.6
147.04465	9.8
147.08044	63.5
147.11691	17.5
149.09624	15.9
151.07506	6.7
151.11220	22.5
153.12758	30.1
154.08646	11.2
155.07230	4.3
155.08540	10.2
157.06071	39.4
157.10146	10.4
158.07237	6.6
159.08029	20.0
159.11707	20.5
161.05957	5.2
161.09627	17.6
161.13309	6.8
163.03799	4.9
163.07582	6.6
163.11214	26.1
165.09111	6.1
165.12766	80.5
169.10115	5.8
171.08015	8.0
171.11661	11.6
173.09628	42.4
173.13269	18.2
175.07538	18.4
175.11194	7.9
177.12766	33.0
179.14308	4.4
183.08000	5.2
183.11708	11.7
189.12759	28.0
191.10696	17.9
191.14273	5.3
193.08614	14.6
193.12218	5.3
195.13768	6.5
201.12854	9.4
207.13759	10.4
209.11667	4.7
211.09721	6.7
211.50317	4.2
215.14314	4.7
219.13783	15.1
223.07663	5.5
225.86325	3.9
231.13840	12.7
237.09019	4.2
243.13852	10.2
249.14906	7.6
261.14734	27.7
269.18835	5.4
279.15973	18.5
297.17044	19.1
302.02213	4.2
315.05203	5.0
315.14148	22.0
315.19019	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01859	0.4
55.05510	0.7
59.04998	0.4
61.19257	0.3
67.05489	0.9
69.03430	0.5
69.07054	1.4
69.87138	2.5
70.06584	1.0
71.04989	0.4
73.96841	0.4
76.29810	0.5
76.44879	0.4
78.73901	0.4
79.05497	1.3
81.07049	2.2
83.04985	0.8
84.04499	0.7
84.08170	0.4
85.02889	1.0
85.06556	0.4
86.09697	1.5
87.05586	1.2
88.03978	0.5
91.05482	2.6
93.07054	2.4
93.54387	0.4
95.04967	0.4
95.08596	1.4
97.02892	1.5
97.06520	0.7
99.04505	0.5
102.19212	0.4
105.07018	3.2
107.04977	0.6
107.08614	2.3
109.06534	0.5
109.10098	1.0
111.04449	0.8
114.01927	0.4
117.72406	0.4
119.08572	2.6
121.06508	0.9
121.10154	1.3
123.08096	0.6
129.07014	0.5
131.08551	1.6
133.06490	1.7
133.10144	1.8
135.08061	2.0
135.11716	1.0
137.05971	0.7
137.09616	0.6
138.05557	0.5
141.06944	0.4
143.08560	0.7
145.10118	1.2
147.04338	0.4
147.08125	0.5
147.11664	0.4
149.09628	1.0
153.09058	0.4
155.08534	0.4
157.10109	1.0
159.11693	1.5
165.09137	0.8
165.12721	0.7
169.10120	0.6
171.11693	1.2
173.13197	0.6
175.11172	0.4
179.08640	0.4
183.11639	0.4
195.11743	0.7
201.12814	0.6
207.13802	0.5
211.14876	0.8
219.13841	0.4
251.18002	0.7
279.17569	0.4
297.11493	0.4
297.18326	1.5
315.14139	100.0
315.19315	3.7
316.14432	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80925	0.5
53.03949	0.5
53.49229	0.4
55.01868	0.6
55.05504	1.6
57.03431	0.9
57.07075	16.1
58.06591	1.4
59.04979	0.5
61.02908	0.8
67.05505	2.4
69.03420	1.1
69.07064	2.7
70.06583	1.1
70.85248	1.4
71.04986	0.5
72.08158	3.1
73.02928	0.6
77.50455	0.3
79.05508	2.1
80.17453	0.4
80.82110	0.4
81.06636	0.5
81.07063	4.7
83.04971	1.8
83.08606	0.6
84.04497	1.2
84.08130	1.1
85.02894	0.9
85.06541	14.1
86.09216	0.6
86.09709	9.3
87.21958	0.4
91.05493	3.1
92.04470	0.4
93.07040	4.9
95.04974	1.9
95.08601	3.4
96.97503	0.4
97.02879	1.9
97.06522	1.3
98.97608	0.5
99.08088	0.5
103.05419	0.7
104.05807	0.5
105.06372	0.7
105.07023	7.1
105.16282	0.4
107.04883	0.4
107.08599	4.3
109.06527	0.7
109.10142	1.4
111.04444	2.0
111.08061	0.5
112.11228	1.8
114.09161	3.7
117.07010	1.3
119.04900	0.5
119.08585	4.1
120.08109	14.8
121.06566	1.9
121.08444	9.2
121.10153	3.4
123.08076	1.1
123.11679	1.4
125.06001	0.6
128.06262	0.7
129.06996	1.0
131.04907	0.7
131.08588	5.1
133.06471	1.3
133.10130	3.2
135.08041	2.0
135.11685	2.5
137.05920	0.4
137.09604	0.6
137.13268	0.4
138.05513	0.7
139.07556	0.4
141.13921	0.6
142.12273	97.7
143.08562	1.8
143.12579	1.3
145.10112	3.0
147.07985	0.8
147.11691	1.3
149.09598	1.5
151.07487	0.5
151.11188	0.7
155.08498	0.7
156.13841	7.5
157.10139	2.9
158.10878	0.6
159.11670	2.6
161.09599	0.5
161.13266	0.9
163.11238	0.7
165.09026	0.5
165.12802	2.3
166.08694	0.8
167.08958	0.5
167.10707	0.5
169.10069	0.8
171.11682	1.7
173.09619	0.7
173.13261	1.8
177.12706	1.0
181.10126	0.7
183.11681	0.9
185.09674	0.4
185.13251	0.8
185.66374	0.4
187.11203	1.0
187.14847	0.7
189.12689	0.4
193.12297	0.7
195.11696	0.9
199.11282	0.6
199.14845	1.2
201.12779	0.5
203.14270	1.0
205.12259	0.5
207.13843	1.2
209.13344	0.7
211.14857	0.7
212.21315	0.4
213.12877	0.7
213.19630	2.3
218.92998	0.4
219.13779	0.8
230.22314	1.0
231.13756	0.5
235.14616	0.4
251.17824	0.5
255.17366	0.6
256.63092	0.4
269.18927	1.0
271.16934	1.4
279.17474	0.9
287.19962	0.5
296.26965	1.4
297.18253	2.0
297.25272	1.4
314.13879	1.2
314.28009	100.0
315.19571	8.0
315.28314	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80911	0.3
55.05510	0.6
57.07078	8.2
58.06597	2.1
67.05491	0.9
69.03428	1.2
69.07070	0.5
69.58424	2.6
70.06595	0.7
71.72591	0.3
72.08162	3.9
79.05485	0.7
81.03385	0.5
81.07048	1.8
82.07386	0.5
83.04960	0.8
84.08144	0.9
85.02906	1.2
85.06544	18.1
86.09711	1.0
87.57879	0.3
91.05460	1.2
93.07046	1.3
95.04926	0.4
95.08583	1.0
97.02879	0.9
99.08125	0.3
105.07018	0.8
107.08606	0.8
109.06498	1.0
109.10153	0.9
111.04403	0.6
112.11236	1.8
114.09176	5.8
119.08584	0.6
120.04462	0.9
121.10153	0.8
123.08021	0.7
123.11667	0.6
124.12110	0.6
128.48810	0.4
129.13849	0.6
131.08617	0.4
133.06471	0.7
133.10120	0.9
134.06912	0.4
135.08055	0.5
137.09665	0.4
141.13905	0.9
142.12274	100.0
143.12590	0.9
145.10161	0.3
146.17728	0.4
151.11191	0.5
152.07053	0.6
152.11507	0.6
156.13846	8.1
159.11664	0.4
163.03891	0.5
163.11253	0.4
165.12811	0.5
167.08646	0.4
171.11668	0.4
181.42703	0.4
185.09662	0.6
213.19592	1.6
230.22307	1.4
282.41653	0.4
287.05692	0.4
294.85910	0.3
296.26974	1.2
297.16998	0.8
297.25204	0.9
298.10788	0.8
299.11426	0.4
314.14035	1.6
314.17834	1.3
314.28012	90.1
315.05072	0.5
315.13434	0.6
315.19278	0.6
315.28442	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80927	0.3
55.05528	0.3
57.07077	8.6
58.06598	1.9
58.72775	0.3
59.04993	0.3
67.33910	0.3
69.03424	0.5
69.07056	0.5
69.41069	0.3
69.41469	2.5
70.06577	0.6
72.08157	4.1
73.02893	0.3
79.05494	0.5
81.07061	1.0
83.08627	0.3
84.08143	1.2
85.02913	0.4
85.06546	18.0
86.09708	0.6
86.47417	0.3
91.05466	0.6
93.07057	1.5
95.04953	0.4
95.08621	0.4
97.02902	1.1
102.09178	0.5
103.05482	0.4
105.07034	1.0
107.08608	1.0
109.06516	0.4
109.10088	0.3
111.53587	0.3
112.11260	2.2
114.09169	5.5
117.07008	0.3
119.08587	0.4
120.08109	3.6
121.06531	0.7
121.08461	2.7
121.10168	0.4
123.11743	0.3
127.04015	0.3
129.13870	0.6
133.06506	0.7
133.10159	0.4
134.06833	0.4
135.08022	0.3
135.11726	0.7
137.09593	0.5
141.13828	0.8
142.12277	100.0
143.12621	1.0
145.10034	0.3
153.12741	0.7
156.13841	7.8
161.06104	0.4
165.12790	1.1
173.16519	0.5
177.05551	0.8
185.09586	0.3
201.12820	0.3
213.19662	2.7
225.12755	0.3
230.22310	1.0
236.46190	0.3
255.11310	0.6
279.16049	0.5
293.94400	0.3
296.26987	1.4
297.25336	1.6
298.10733	0.5
314.28024	81.7
315.13461	2.2
315.28268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24152	0.4
55.05521	1.9
55.24548	0.4
56.96580	0.7
57.03432	1.0
58.62365	0.4
68.05025	4.2
69.03432	0.6
69.07076	0.8
70.06586	3.3
71.04996	0.8
71.08619	0.5
71.40134	0.5
71.57123	0.5
71.57495	0.6
72.08150	1.6
73.02912	0.6
76.03137	0.4
78.54965	0.4
79.05495	1.2
81.07056	11.0
82.20207	0.4
82.49337	0.4
84.04503	0.6
84.05627	0.5
84.08170	0.8
85.02897	1.3
86.09701	0.9
89.06026	2.5
91.45691	0.5
95.06091	100.0
96.06440	0.8
97.02888	7.0
97.07653	4.1
98.97581	0.9
100.22092	0.5
109.59212	0.4
110.07155	0.7
111.05566	1.7
116.07107	0.9
116.98670	1.0
120.08208	0.4
130.96429	0.4
133.06450	0.7
134.99625	0.4
135.06516	1.1
136.05139	1.1
136.06186	19.9
147.04390	0.7
149.10744	0.6
151.12314	8.7
164.05664	1.4
164.09386	0.6
165.07768	0.7
166.07259	0.7
167.11800	0.6
179.03711	0.5
182.06836	1.1
193.13368	13.4
211.14415	76.4
212.14722	1.5
219.07310	0.5
227.13928	1.4
252.20700	6.8
255.13457	1.2
270.21762	66.5
271.22205	2.4
296.19644	2.9
299.11429	0.7
314.09158	1.8
314.13889	0.9
314.17242	0.8
314.20685	5.1
315.07401	1.0
315.10800	0.6
315.19672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61560	1.3
55.01873	1.4
55.05515	1.9
56.96569	2.7
57.07067	1.8
67.05499	4.0
68.04986	1.3
69.03417	2.4
69.07070	4.3
70.06586	9.4
70.39806	4.6
71.04636	2.2
71.04994	19.8
72.08151	3.3
79.05529	2.5
81.03410	2.3
81.07060	15.3
84.04495	3.3
85.02911	5.3
86.09707	3.7
91.05495	2.6
93.07053	10.7
95.06097	5.6
95.08608	6.0
97.02884	2.4
97.06517	5.0
105.07033	2.0
107.08591	9.9
109.02917	1.9
109.10175	3.0
110.07161	2.4
111.08077	2.0
115.06084	1.3
116.07103	3.1
119.04931	1.9
119.08590	1.7
123.11727	7.3
127.03925	2.8
127.34764	1.4
130.73164	1.3
132.64478	1.3
133.06506	2.0
135.08028	1.5
135.11690	17.0
136.06178	1.9
137.05930	2.0
137.53516	1.4
147.04454	3.0
152.07060	2.3
153.12743	100.0
154.13071	1.6
163.03889	3.6
171.11331	2.1
199.10928	1.6
201.00743	5.6
203.05246	1.4
211.14455	3.9
219.01880	1.8
223.07339	1.3
251.10455	47.6
269.11493	18.8
270.21838	3.4
291.08426	5.0
295.43756	1.4
298.10556	2.2
299.11588	2.0
314.07892	3.0
314.13760	3.5
314.17142	2.4
314.27649	1.9
327.03760	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01861	2.3
55.05483	1.0
56.96568	5.3
57.03430	2.6
61.02916	3.4
61.80816	0.9
69.03432	7.5
70.06592	2.6
70.20795	1.0
71.04996	12.2
71.57944	2.0
72.08124	1.2
73.02914	1.8
81.03409	2.0
81.07057	3.1
83.04951	1.3
85.02434	1.7
85.02915	23.4
87.04497	1.9
89.06039	100.0
91.05465	2.2
93.61201	1.0
95.06094	11.5
97.02898	15.0
98.97580	3.8
99.04469	2.8
101.91705	1.1
103.03905	1.0
112.07612	1.3
116.98618	4.1
117.05479	2.1
119.04928	5.1
127.03927	4.4
128.98567	1.2
130.08685	1.3
134.09627	1.2
134.99687	1.8
135.06541	45.5
136.06200	17.6
139.07550	1.7
143.00043	1.0
145.04929	4.2
146.99617	1.5
147.04425	9.7
151.12311	1.1
152.07098	2.5
152.09186	3.2
152.10728	2.4
157.11885	1.0
161.01291	2.2
174.01024	1.0
177.00745	1.4
177.65417	1.3
186.04372	1.5
193.13455	1.7
201.00674	1.5
211.14404	10.5
219.01817	1.9
237.02820	3.2
270.21780	9.1
274.90845	1.2
309.08594	1.6
314.08908	2.3
314.11996	1.9
314.14493	1.5
314.18024	1.5
314.27600	1.2
315.07611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1387
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
51.02382	0.2
53.00294	0.2
53.03954	1.5
55.01859	0.9
55.05516	0.6
60.04521	0.4
62.06082	2.4
63.10209	0.3
67.05468	0.4
69.03381	0.3
70.02939	0.5
71.08632	6.0
71.61196	0.5
73.02917	0.8
79.05482	0.8
79.90825	0.3
81.07056	2.6
83.08598	0.4
84.04488	0.4
86.06066	9.8
89.03922	4.3
91.05482	7.2
93.07049	11.7
95.04969	3.6
95.08595	1.1
96.08149	0.8
97.02913	0.5
97.06531	0.3
98.09709	1.7
99.08093	1.9
100.07613	0.4
101.02383	1.4
103.04785	0.5
103.05470	8.1
105.04533	0.5
105.07024	0.5
107.08627	0.5
108.08112	0.9
109.06510	5.3
110.09666	0.3
111.08083	3.0
114.09163	0.4
116.10742	5.6
117.03379	18.7
119.04942	0.7
119.08589	0.4
121.06505	52.0
122.06855	0.9
124.11222	0.7
133.06482	0.4
134.03641	1.1
134.09674	1.1
134.76892	0.2
135.04430	1.6
135.08037	0.4
136.05182	0.5
137.05992	2.9
138.09111	1.0
140.37263	0.3
142.08595	0.7
142.12282	1.2
143.10678	6.7
145.02846	50.1
146.03249	0.6
147.04408	0.6
149.05986	5.8
152.10713	1.5
154.94160	0.5
160.13339	0.5
162.03154	0.5
163.03917	1.2
164.07094	0.3
170.11784	3.9
172.95245	1.1
177.05472	100.0
178.05855	1.5
180.10204	1.9
184.13300	0.3
184.72708	0.3
186.05501	1.9
194.08095	0.8
198.11263	38.4
200.09000	0.4
214.18019	1.1
216.12314	32.8
291.06668	0.4
296.18646	2.4
314.13889	39.4
314.19446	9.4
314.34604	0.3
315.14142	1.6
315.19717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1387
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
53.03932	1.6
55.05490	0.5
69.03403	0.6
71.59148	0.7
72.86188	0.4
75.38678	0.4
78.65555	0.4
81.07055	0.8
85.55607	0.5
86.09748	0.5
89.03911	3.8
91.05495	7.7
93.06474	0.6
93.07053	10.5
95.04992	3.4
95.08614	0.9
97.02873	0.8
103.05478	8.4
105.07037	0.8
107.08615	0.8
109.10142	0.6
117.03384	15.5
119.04931	1.1
119.08569	0.9
121.06511	52.5
121.10087	0.9
124.07578	0.4
133.06520	0.8
133.10156	0.6
134.03633	1.3
134.99643	0.5
135.04413	1.0
142.07704	0.5
143.08578	0.4
145.02850	47.5
146.03165	0.5
147.04434	0.7
149.05991	5.4
151.07538	0.6
163.03918	0.9
169.09740	0.8
172.95241	0.6
177.05478	100.0
178.05869	1.3
186.05544	1.7
190.96324	0.7
194.08119	0.8
194.69594	0.4
195.08041	0.4
223.07581	0.5
278.21960	0.5
283.09628	0.9
287.05585	1.6
291.07080	0.5
298.10757	2.6
299.11383	0.8
314.13885	44.3
315.19382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47667	0.3
53.03943	0.7
55.01871	1.4
55.05473	0.3
57.03436	3.1
57.06821	0.4
57.07076	5.6
58.06582	0.6
60.04503	0.3
61.02928	3.2
63.13120	0.3
65.03925	0.6
67.05502	0.6
69.03429	9.6
69.07052	0.4
70.03764	0.4
70.06593	6.7
71.01353	0.6
71.04981	0.9
71.56872	0.6
72.08168	1.5
73.02905	1.2
79.05492	1.0
81.03422	3.0
81.07063	1.9
82.07363	0.4
83.04977	0.6
84.04497	0.4
84.08135	0.6
84.87779	0.3
85.02904	32.1
85.06065	0.4
85.06545	6.0
86.03238	0.6
86.09702	6.1
87.04454	0.8
91.03941	0.3
91.05487	1.7
92.05000	2.9
93.07047	1.2
95.04974	0.5
95.08612	0.9
96.93853	0.3
97.02892	7.7
99.04440	1.2
103.03936	1.2
103.05463	0.7
103.10534	0.3
104.04980	1.4
105.07035	1.0
106.06561	1.4
107.08599	0.5
109.02882	3.6
109.06513	0.5
109.10159	0.3
112.11245	1.2
114.09176	1.9
115.03925	1.0
115.05466	0.3
117.03371	0.8
118.06504	0.5
119.08664	0.5
120.04465	100.0
120.08105	1.4
121.04809	1.6
121.06502	1.6
121.08444	1.1
123.11678	0.6
124.12025	0.6
127.03914	5.2
130.06512	0.7
130.08640	6.8
131.08517	0.5
132.04459	10.8
133.05269	0.7
133.06311	0.4
133.10059	0.4
134.06017	12.3
135.11661	0.4
137.02345	0.5
138.05437	0.6
142.12271	38.3
143.08539	0.4
144.04408	1.8
144.08070	0.4
145.02879	1.9
145.04955	2.4
145.06097	0.3
146.05989	1.2
148.03963	0.6
149.05962	0.4
150.05518	1.8
151.07526	0.5
152.07063	49.9
153.07367	0.8
154.06516	0.4
156.13870	3.3
157.13356	0.9
158.06000	0.8
161.05948	0.4
162.05499	8.2
163.03894	0.4
163.05952	0.4
164.07063	0.7
169.09674	0.4
170.05977	2.1
172.07538	1.1
174.05498	1.5
176.07071	0.6
177.05469	3.8
178.05840	0.9
180.06599	1.0
182.05952	0.6
184.07495	0.6
186.05482	1.2
188.07106	0.5
194.08134	4.0
198.05508	15.8
199.05840	0.6
200.05472	0.4
200.07072	2.1
210.05524	0.5
210.13609	0.4
213.19553	0.9
216.06592	1.9
218.08096	0.4
228.06561	2.8
230.08099	3.7
230.22272	0.5
233.72263	0.3
236.04448	0.3
246.07657	2.5
260.09146	0.9
264.08624	0.8
278.10248	9.4
279.10410	0.4
282.09799	0.6
296.11377	0.7
296.26956	0.5
297.25403	0.4
298.10730	1.3
299.11618	0.7
314.04050	0.4
314.07294	1.4
314.14133	3.8
314.28009	31.9
315.04968	3.2
315.12665	0.5
315.19330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89727	0.2
53.08386	0.2
54.68969	0.3
56.96565	1.7
57.03426	0.7
57.07053	0.2
61.01144	0.7
63.75407	0.2
67.05502	0.3
68.05045	0.7
69.03431	2.3
69.94007	0.5
69.94421	0.9
70.06592	2.3
71.04996	0.6
72.08161	0.5
73.02914	0.2
74.06064	0.3
79.05526	0.4
81.07055	1.7
84.04507	0.5
84.08144	0.7
85.02905	1.1
86.09708	0.3
86.99049	0.2
87.90720	0.2
89.03929	0.2
89.06033	2.8
91.05462	0.3
93.07079	0.3
94.04070	0.4
95.06094	12.2
95.08577	0.4
97.02893	44.8
97.07654	0.5
98.03246	0.3
98.97594	1.0
99.04450	0.2
110.07187	0.8
112.08705	0.2
116.07107	0.5
116.98629	1.0
117.03415	0.4
118.08724	0.2
119.03603	0.5
127.03933	0.6
127.05132	0.2
130.93193	0.2
134.09669	0.3
134.99675	0.9
135.04419	0.7
135.05551	0.3
135.06526	1.4
136.06187	100.0
137.04617	0.6
137.05756	0.3
143.00584	0.3
143.01616	2.4
145.01711	0.2
148.06219	0.3
151.12315	1.1
152.10652	0.4
156.39357	0.3
161.01329	0.5
161.02702	1.9
162.07855	0.4
163.03902	3.4
164.04327	0.4
164.05672	4.8
166.07324	0.3
171.11270	0.4
177.00749	0.4
178.07262	2.2
179.03749	2.5
189.00626	0.3
193.13394	1.6
201.00735	0.3
208.96371	0.3
211.14412	9.2
220.08313	0.3
227.13918	0.3
248.07782	0.9
250.09332	0.6
250.97505	0.4
252.20721	1.0
270.21759	7.6
278.07126	0.8
296.08099	3.9
298.10825	0.3
299.11514	0.3
314.09143	11.7
314.12747	0.6
314.17242	0.9
314.20850	0.6
315.07755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06023	0.3
53.03923	0.4
55.05510	4.2
56.13115	0.4
57.03439	10.3
57.07075	36.0
58.06606	0.5
58.27534	0.3
60.88752	0.4
64.02240	0.3
67.05179	0.4
67.05509	6.7
69.07068	6.2
71.04980	0.4
71.08633	23.8
75.04448	0.3
79.05452	0.7
80.04504	0.4
81.07061	9.9
83.04958	0.4
83.08617	7.1
85.06546	0.4
85.10180	12.3
89.06016	1.8
93.07040	0.8
95.08608	13.6
97.06526	0.5
97.10172	3.5
99.11729	0.7
101.06028	0.4
103.07565	1.3
107.04977	0.4
107.08599	0.4
109.10150	5.8
111.11716	0.9
123.11674	2.3
125.13295	0.5
137.13240	1.1
149.13377	0.4
151.14801	0.6
171.07925	0.3
230.02339	0.4
239.23695	2.8
257.24747	3.4
275.25909	0.3
295.23529	0.4
298.10828	0.8
298.27530	0.6
299.11407	0.5
313.27362	100.0
314.13818	2.1
314.17538	1.2
314.27747	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.3
56.55603	0.5
57.03441	14.7
57.07079	44.3
67.05179	0.5
67.05508	8.5
68.23540	0.4
69.07072	7.7
70.85117	1.5
71.04981	0.7
71.08634	27.0
72.08929	0.6
79.05479	1.0
81.07058	9.9
83.08620	10.1
85.06522	0.8
85.10186	15.9
89.06025	2.9
91.05505	0.7
93.07023	1.1
95.08611	16.6
97.06515	0.9
97.10165	4.7
99.08098	0.5
99.11731	1.1
101.85806	0.5
103.07558	2.0
105.39877	0.5
107.08584	0.8
109.10157	7.5
111.11707	0.8
117.09209	0.6
119.08588	0.5
121.10143	0.6
123.11735	2.8
125.13237	0.7
137.13268	1.2
146.26875	0.5
209.13440	0.5
226.12978	0.5
239.23659	4.8
246.68810	0.5
257.24612	4.2
263.23410	0.5
298.27487	0.6
313.27380	100.0
314.13809	1.2
314.27698	5.1
326.29089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.1
55.01877	2.9
55.05512	62.3
57.03444	3.7
57.07080	24.7
67.05506	61.4
68.12546	2.0
69.03429	2.9
69.07071	100.0
70.07422	3.7
71.04987	7.7
71.08636	15.4
71.58875	2.3
71.59310	2.6
79.05498	27.4
81.07062	85.3
83.04970	8.1
83.08624	67.0
85.06544	7.1
85.10194	11.5
86.06065	3.7
91.05479	25.7
93.07047	42.2
95.04972	6.1
95.08611	86.1
96.08984	2.4
97.06531	19.2
97.10169	63.7
99.08092	7.3
101.06008	2.1
105.07044	25.4
107.08593	29.2
109.06521	5.1
109.10159	46.4
111.08105	12.2
111.11730	21.3
113.09647	10.8
115.07577	2.5
117.07021	3.4
119.08583	30.8
121.10145	37.8
123.08073	4.4
123.11714	17.5
125.09637	8.5
125.13292	6.5
127.11167	3.1
129.09152	2.1
131.08582	6.9
133.10138	25.2
135.11687	25.8
137.09621	6.6
137.13280	5.2
139.11185	10.2
139.14766	3.0
141.12749	8.4
143.08549	5.7
145.10117	8.3
147.11681	16.6
149.09663	3.5
149.13277	23.1
151.07578	2.4
151.11174	6.2
153.12708	4.3
155.10629	3.2
157.10164	5.7
157.12193	2.4
159.11691	7.0
161.13261	15.1
163.14850	15.4
165.12709	12.3
165.16425	3.0
167.14308	5.4
169.12238	4.7
170.22920	1.8
171.11661	4.3
173.13240	5.6
175.14828	14.3
179.14345	5.7
179.18106	2.1
181.16002	4.6
183.13795	3.5
185.11728	2.5
185.13275	4.8
187.14833	2.9
189.11322	2.2
189.16335	4.1
193.15921	5.0
195.11655	2.0
199.14795	2.3
207.17468	2.9
209.13336	2.3
221.22679	3.3
239.17987	2.4
245.22656	27.1
253.12401	1.9
259.20544	2.7
263.23709	32.7
267.17380	3.2
277.21609	16.8
281.24808	8.7
282.72696	2.1
293.64020	2.4
295.17151	4.1
295.22668	34.8
295.28305	7.6
298.10776	12.8
299.11481	9.8
313.18030	15.3
313.21527	4.1
313.27289	8.1
314.13895	26.7
314.17850	4.4
333.57184	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.0
57.03152	0.4
57.03440	12.6
57.07079	43.4
65.80627	0.5
67.05508	7.2
69.07066	7.9
69.34238	1.2
69.34666	3.3
71.04963	0.6
71.08633	26.2
79.05505	1.5
81.06580	0.6
81.07063	12.0
83.08622	8.5
85.06553	0.7
85.10184	14.4
89.06018	1.8
91.05477	1.8
93.07029	1.1
94.71056	0.4
95.08611	15.1
97.06528	1.2
97.10187	3.9
98.03027	0.5
99.11736	0.8
101.05999	0.5
102.14504	0.4
103.07585	1.6
105.07027	1.1
107.08597	1.3
109.10155	8.5
111.11736	1.1
112.01295	0.4
115.64819	0.5
117.09190	0.6
119.08626	1.2
121.10125	0.7
123.11727	3.5
126.09354	0.4
133.10120	0.9
134.99602	0.5
135.11736	0.6
137.13304	1.5
145.10085	0.8
147.08038	0.7
151.14789	0.8
157.10201	0.6
159.11728	0.6
161.09630	0.7
169.10168	0.5
173.09811	0.5
175.11163	0.7
183.11745	0.8
190.43140	0.5
211.11319	0.6
221.22572	0.6
239.23634	3.3
243.10104	0.6
257.24741	3.7
267.17435	1.2
287.57901	0.5
295.16934	1.3
298.10800	1.4
298.27646	1.1
299.11377	0.7
311.20798	0.5
313.18005	4.4
313.27380	100.0
314.14008	2.9
314.17526	0.6
314.27701	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43082	0.6
55.05510	4.7
57.03157	0.5
57.03437	17.2
57.07076	47.5
61.58617	0.5
66.61729	0.5
67.05506	8.7
69.07069	7.6
70.79723	0.9
71.08634	28.7
74.09892	0.6
75.04465	0.5
79.05472	0.9
81.07053	11.0
81.82403	0.4
83.08620	10.2
85.06561	0.8
85.10184	14.9
89.06039	2.7
95.08607	15.6
97.06510	0.6
97.10178	5.4
99.11740	1.5
103.07584	1.0
109.10160	7.6
111.11677	0.7
113.13258	0.5
117.52310	0.5
120.87653	0.5
121.10136	0.7
123.11679	3.8
137.13255	1.4
151.14761	0.7
152.93159	0.5
169.10008	0.5
213.61168	0.5
221.22617	0.8
239.23695	3.6
257.24753	5.4
313.27368	100.0
314.13797	1.4
314.17303	0.5
314.27560	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.0
57.03155	0.6
57.03438	14.9
57.07077	45.1
58.06602	0.6
59.75895	0.4
67.05504	8.9
69.07068	8.3
69.62173	3.4
71.05002	0.7
71.08633	29.9
72.69749	0.4
74.16707	0.4
79.05497	0.7
81.06577	0.8
81.07053	11.7
83.08618	8.8
85.06527	0.8
85.10184	14.6
89.06033	2.4
90.14837	0.4
91.05473	0.9
93.07043	1.5
95.08611	17.1
97.06548	0.6
97.10177	5.1
98.20785	0.8
98.36114	0.4
99.11719	0.6
103.07587	1.6
105.06995	0.6
107.08622	0.9
109.10154	8.3
111.11713	1.4
119.08588	1.2
121.10159	0.7
123.11711	3.8
125.13296	0.9
131.08537	0.7
133.10126	0.8
137.13246	1.8
145.10086	0.7
151.14812	0.8
159.11708	0.7
161.09605	0.6
165.16388	0.7
171.16383	0.4
185.09692	0.5
196.96106	0.5
221.22620	0.5
239.23721	3.7
257.24713	3.5
267.17590	0.8
275.25806	0.9
278.98999	0.5
295.16901	1.3
298.10904	2.8
298.27551	1.1
299.11444	1.1
313.18060	3.5
313.27368	100.0
314.13867	4.8
314.17825	1.7
314.27707	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.4
55.05508	6.5
55.12123	0.4
57.03156	0.6
57.03439	15.5
57.07077	45.1
67.05507	10.1
69.07069	8.3
71.05001	1.1
71.08633	29.8
71.60130	0.6
75.04457	0.5
79.05485	1.1
81.06577	0.8
81.07059	13.0
82.07446	0.5
83.08137	0.7
83.08620	10.4
85.06524	1.1
85.10184	16.4
88.94548	0.4
89.01565	0.5
89.06049	2.5
89.06490	0.4
91.05463	0.9
93.07041	2.0
95.08612	16.1
95.50880	0.4
96.08966	0.5
97.06521	1.1
97.10174	4.6
99.11744	1.3
101.06046	0.4
103.07571	1.5
105.07035	1.4
107.08580	1.1
109.10155	9.4
109.54724	0.4
111.11723	1.1
117.09147	0.7
119.08578	1.7
120.40537	0.5
120.72339	0.4
121.10123	1.4
123.11700	3.9
125.13269	0.8
131.08533	0.5
133.10146	0.7
135.11731	0.5
137.13242	1.8
143.08546	0.5
145.10117	0.7
147.11691	0.7
151.14857	0.8
159.11742	0.5
161.13246	0.6
171.11722	0.6
193.10306	0.4
197.13260	0.5
206.10954	0.5
239.23653	3.4
257.24722	4.5
267.17508	1.1
278.10867	0.5
281.23834	0.5
295.16995	1.3
298.10797	1.7
298.27438	1.1
299.11472	1.2
313.18109	3.8
313.27368	100.0
314.13950	3.2
314.27728	5.6
314.34271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
53.03934	4.1
55.01862	8.0
55.05512	28.3
56.02941	2.6
56.96548	3.8
57.07074	7.7
58.06553	2.4
65.03949	3.1
67.05505	63.0
69.03433	5.5
69.07069	100.0
71.04981	9.5
71.08620	3.8
71.59222	3.8
73.06554	8.3
79.05495	40.5
81.03430	2.4
81.07064	60.2
83.04983	7.5
83.08615	19.2
85.06525	8.2
89.93683	1.9
91.05483	21.8
93.07049	39.1
95.04974	7.9
95.08051	3.7
95.08610	44.1
97.06527	23.3
97.10174	17.0
99.08097	8.1
105.07018	30.8
107.08602	38.7
109.06532	6.3
109.10162	25.4
111.04426	3.5
111.08080	7.4
113.09621	3.7
115.07580	18.9
117.07008	6.4
119.08577	20.9
121.06470	4.4
121.10139	31.5
123.08065	6.1
123.11710	10.3
125.09636	22.7
128.06165	2.3
129.07014	5.8
131.08569	10.5
133.06500	14.4
133.10123	16.9
135.07990	4.1
135.11696	37.8
137.09639	3.7
139.11200	4.3
143.08569	6.4
145.10091	14.9
147.08096	3.3
147.11707	16.5
149.13222	11.0
151.07567	4.7
151.11121	2.9
155.08569	2.7
157.10124	8.5
159.11699	7.7
161.09612	4.0
161.13275	10.6
163.14841	5.5
165.12796	4.9
169.10033	3.2
171.11664	10.6
173.09619	5.0
173.13290	4.6
175.11171	3.7
175.14827	3.9
179.14322	2.7
181.12199	3.8
183.11742	5.5
185.13237	8.8
187.14838	3.2
189.11218	7.6
189.12721	3.0
193.15868	2.5
195.11662	2.7
195.13832	3.7
197.13145	2.7
211.11150	2.7
211.14934	4.3
221.15384	3.3
223.38510	2.3
239.17877	3.3
241.19536	6.0
249.16576	3.1
250.09537	2.6
259.20602	17.1
267.17603	3.6
277.21634	62.4
295.16901	8.1
295.22699	39.5
298.10788	9.6
299.11563	7.3
313.07211	3.1
313.10712	6.8
313.14465	3.5
313.18256	27.0
313.21484	8.3
313.24072	6.9
313.27844	4.0
314.14005	23.6
314.17514	4.3
314.26721	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	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.79160	7.1
55.01867	14.8
55.05516	46.1
57.03421	9.1
57.07092	7.4
67.05511	78.4
69.03407	8.4
69.07071	34.9
70.06593	39.2
71.08620	28.8
79.05481	40.5
81.03428	9.3
81.07056	89.1
83.04959	16.7
83.08607	28.4
85.02906	9.0
91.05488	42.3
93.07038	61.8
95.04955	21.8
95.08606	58.8
97.06516	19.1
97.10172	15.0
98.20848	9.4
99.08086	18.6
105.07047	40.7
107.08591	39.4
109.10159	32.0
111.08058	22.3
113.09651	9.9
117.07059	7.1
119.08614	49.0
121.06488	22.1
121.10128	29.3
123.08051	13.5
123.11696	6.2
125.09634	15.5
129.06972	6.0
130.36136	6.2
131.08569	21.8
133.06485	24.4
133.10109	31.9
135.08040	7.3
135.11684	25.9
137.09663	11.3
139.11180	13.3
143.08563	16.0
145.10143	27.9
147.11676	23.1
149.05977	9.3
149.13239	20.7
151.11159	19.4
151.44301	5.8
155.08484	8.2
157.10068	13.4
159.11693	19.5
161.13225	19.9
163.11162	8.6
165.12743	18.8
166.07738	7.6
171.11736	14.2
173.11766	8.5
173.13234	9.7
175.11159	14.5
179.14267	12.0
183.11740	9.3
185.09698	6.9
185.13210	14.4
191.10637	9.0
192.07957	6.4
195.13864	13.5
211.11217	6.7
213.14938	8.9
217.19452	7.2
239.18004	8.2
241.19626	13.4
245.55920	7.2
249.05330	6.6
249.22241	8.0
257.18866	6.7
259.20547	8.6
267.17569	12.0
277.21631	91.3
278.22165	9.4
295.17157	13.8
295.22617	44.2
313.10675	23.3
313.17981	100.0
313.21536	6.2
314.14145	9.2
314.18301	9.2
331.19186	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	313.2372
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01864	6.0
55.05510	16.6
57.03436	3.2
57.07072	7.4
60.72863	1.1
65.03934	1.3
67.05177	2.0
67.05507	30.9
68.34117	1.4
69.07072	13.5
70.92996	4.1
71.04995	12.1
71.08633	30.0
79.05499	16.0
81.03415	1.9
81.07066	27.1
81.25006	1.3
83.04983	11.4
83.08604	13.0
85.06512	3.1
85.10159	1.8
89.07034	1.5
89.98777	1.3
91.05477	13.4
93.07052	24.0
95.04970	4.6
95.08604	19.1
97.02928	1.4
97.06523	7.1
97.10168	10.1
99.08099	26.5
105.07022	11.6
107.04950	2.5
107.08588	19.7
109.06501	4.9
109.10156	16.4
111.08086	3.0
113.09660	2.0
117.07048	1.9
119.08572	11.1
121.06488	2.3
121.10149	9.7
123.08054	2.5
123.11722	3.2
125.06004	1.5
125.09621	5.5
127.11179	8.1
128.06201	2.0
130.57884	1.2
131.08568	4.0
133.06482	4.5
133.10129	9.9
135.08040	2.2
135.11707	10.7
137.05969	2.1
137.09615	2.2
139.07497	1.6
139.11185	2.5
141.12740	41.0
143.08559	2.5
145.10112	8.4
147.08060	2.7
147.11674	5.2
149.09650	2.6
149.13281	3.0
151.07513	2.5
151.11182	7.2
153.09077	1.4
153.12756	5.8
155.08578	1.9
157.10153	3.7
159.11621	3.1
161.09587	1.3
161.13281	5.9
163.11166	10.3
165.12782	4.1
165.16408	1.3
169.10159	1.6
169.12239	17.8
171.11665	3.6
173.13258	3.3
175.11259	1.4
175.14868	2.6
177.12834	1.6
179.14288	5.1
181.12206	2.8
183.11613	2.0
185.13251	3.1
189.11246	3.5
189.12860	1.7
193.15819	2.2
197.13272	1.4
211.14763	1.4
231.21268	3.0
241.19524	2.7
249.22127	2.2
259.20566	6.8
267.17426	1.6
272.10385	1.9
277.21658	46.7
278.22028	2.9
295.17081	4.2
295.22699	100.0
296.23019	4.8
298.10706	5.2
299.11490	2.6
313.10678	3.4
313.17914	16.3
313.21289	2.1
314.13858	9.7
314.17450	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1798
Annotation	Rubifolide
Peak:m/z	Relative Intensity
53.03938	0.5
55.05508	1.6
55.98034	0.3
56.44519	0.3
56.96566	0.9
62.72078	0.3
65.03933	0.6
67.05486	1.6
69.03420	1.3
69.07061	1.5
71.04980	0.4
71.59254	0.4
79.05485	2.0
81.03408	0.9
81.07066	3.8
83.04977	0.9
83.08634	0.5
85.02883	0.9
85.06550	0.6
87.04474	0.4
87.27290	0.3
89.03474	0.4
91.05484	2.6
93.07052	2.6
95.04989	0.8
95.08606	1.6
97.02885	2.3
97.06513	0.4
98.97594	0.9
100.11254	0.6
103.05456	0.6
105.07037	2.7
107.04949	0.5
107.08600	1.5
109.06516	1.1
109.10169	1.2
111.04456	0.9
116.98605	0.7
117.03364	0.8
117.07018	0.8
119.08589	6.4
120.08118	4.3
121.06549	0.5
121.10147	1.0
123.08041	0.8
123.11728	1.0
129.07013	0.6
131.08578	1.3
133.06496	4.6
133.10114	1.4
135.08066	0.5
137.05984	0.8
137.09612	0.8
141.07013	0.6
142.07747	1.1
142.12250	1.1
143.04832	0.4
143.08566	1.0
144.09282	0.4
145.02876	1.0
145.06493	9.6
145.10106	2.1
147.04420	0.4
147.08058	1.7
149.09615	0.6
151.07536	0.5
151.11218	0.5
153.06955	0.4
155.08588	1.4
156.09325	2.5
157.10138	5.6
158.10815	0.4
159.08078	1.2
159.11678	1.0
161.09637	0.7
167.08533	0.4
168.09373	0.9
168.13863	0.4
169.10126	3.8
170.10857	1.1
171.11699	3.0
172.12459	2.4
173.13281	2.2
175.11217	1.2
177.05435	2.4
179.08626	0.4
181.04959	3.9
181.08691	0.4
181.10124	1.5
182.10938	0.7
183.08025	1.0
183.11714	3.8
184.08778	0.5
184.12364	0.4
185.09621	36.3
186.10030	1.6
187.11206	3.4
187.14838	0.5
189.09041	0.6
189.12785	0.7
192.09302	0.4
193.10144	1.0
195.11737	1.9
196.12549	0.9
197.09627	1.3
197.13263	2.6
199.11182	3.6
200.11978	15.2
201.12563	2.1
203.10670	0.5
209.09818	0.5
209.13196	1.4
210.14041	0.8
211.11197	1.3
211.14795	1.1
212.09477	0.6
213.12720	0.9
215.10641	1.0
215.14359	0.6
216.06506	1.5
219.11734	0.4
220.12491	0.7
221.13268	0.4
223.14798	1.5
225.10271	1.6
225.12656	0.6
225.16417	2.0
229.12256	0.9
234.14006	0.5
235.14795	1.1
237.16432	0.9
239.14247	0.5
239.17941	1.3
243.17468	1.2
249.16447	1.3
251.14252	0.5
253.09645	0.4
253.15854	1.6
264.11215	0.6
267.17407	2.3
270.16034	0.7
271.10791	0.6
277.15967	0.8
283.13318	5.5
283.16479	0.7
284.13647	0.5
285.12265	1.0
285.18393	0.7
295.16998	3.7
295.20071	0.6
298.15778	2.9
313.17981	100.0
314.14383	0.7
314.18314	7.5
314.27939	1.6
331.18954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1794
Annotation	Hypolide
Peak:m/z	Relative Intensity
53.03952	1.2
55.01862	1.6
55.05510	3.8
57.03429	0.7
57.07065	1.1
59.04985	0.5
60.91354	0.5
62.97020	0.5
65.03939	0.9
67.05176	0.6
67.05505	8.0
69.03432	4.8
69.07063	5.6
71.04970	1.6
79.05486	6.4
81.03397	0.6
81.07056	6.2
82.82899	0.5
83.04971	2.3
83.08622	2.2
85.06532	1.5
91.05477	9.3
93.07038	7.9
95.04976	4.4
95.08607	17.8
97.02875	2.4
97.06519	3.2
99.08074	1.3
103.05458	1.3
105.07027	17.8
107.04948	1.6
107.08584	10.7
108.08913	0.7
109.06513	4.2
109.10159	5.2
111.04433	2.2
111.08084	1.9
112.95419	0.6
113.06006	7.7
117.07025	4.5
118.89425	0.6
119.08577	24.9
121.06492	4.7
121.10128	4.2
123.08067	7.3
123.11689	1.4
125.09622	0.6
127.07524	0.7
128.06221	2.4
129.06995	4.5
130.07813	1.5
131.04893	0.8
131.08575	9.7
133.06494	21.3
133.10126	13.5
135.08063	3.7
135.11726	1.2
137.05978	1.7
137.09592	1.5
139.07520	1.2
141.06958	2.9
141.09073	0.7
141.73015	0.6
142.07776	6.3
143.08551	11.0
144.09340	1.3
145.06480	1.9
145.10123	12.2
147.08041	16.8
147.11716	3.8
149.09631	3.1
151.07501	2.0
153.07045	0.8
154.07790	0.9
155.08537	7.0
156.09322	5.6
156.54607	0.6
157.06465	0.9
157.10126	17.5
158.07214	0.9
158.10719	1.2
159.08098	6.0
159.11700	7.6
160.08730	0.9
161.09618	7.0
161.13232	1.0
163.07521	1.2
163.11183	1.2
165.06989	1.8
165.09094	1.4
165.40099	0.7
166.07811	0.7
167.08556	2.2
168.09315	2.2
169.10138	9.6
170.10866	3.3
171.08075	3.5
171.11687	10.7
172.08722	1.3
172.12277	1.1
173.09613	10.3
173.13245	5.7
175.07573	1.7
175.11172	6.4
177.05446	1.8
177.09094	1.8
179.08609	2.8
179.10678	1.3
180.09338	1.0
181.10121	5.2
182.10863	2.5
183.08145	2.7
183.11711	11.2
184.08780	1.4
184.12296	1.0
185.09602	20.8
185.13213	5.6
186.10242	1.3
187.11171	7.8
187.14798	1.4
188.11559	0.6
189.09102	5.4
189.12708	1.6
191.08713	0.6
191.10693	1.4
192.09418	1.0
193.10162	3.2
194.10846	1.5
195.08031	1.0
195.11638	5.9
196.08989	0.8
196.12468	3.0
197.09605	5.8
197.11244	0.7
197.11580	0.8
197.13269	7.5
198.11284	0.6
198.13977	1.1
199.11153	7.9
199.14845	3.0
200.11710	0.8
201.09122	3.3
201.12718	3.6
202.13536	0.9
203.10725	2.5
203.14261	1.0
205.10216	1.2
206.10913	1.0
207.11713	3.2
208.12485	1.4
209.09619	1.0
209.13248	5.8
210.10388	1.5
210.14000	2.4
211.11206	8.3
211.14754	6.4
212.11812	1.7
213.09128	1.3
213.12694	5.1
213.16304	1.5
215.10773	4.2
215.14294	3.0
217.12279	1.2
219.11684	2.0
220.12469	2.8
221.09647	0.7
221.13228	1.5
223.11153	2.2
223.14781	3.5
224.12000	0.8
225.09225	1.3
225.12778	6.6
225.16324	7.9
226.13448	1.1
227.10719	0.9
227.14313	2.8
229.12332	2.6
229.15877	1.0
231.10233	0.7
234.14005	1.9
235.11119	1.1
235.14740	4.6
236.15485	0.8
237.12796	1.9
238.13466	1.6
239.10771	1.5
239.14328	2.3
239.17975	4.5
241.12271	1.6
241.15787	0.8
241.19501	2.5
243.10204	1.3
243.13766	2.1
243.17537	1.1
245.11649	0.8
249.16327	6.3
250.16756	0.8
251.14264	3.3
251.18022	1.4
252.07655	0.6
252.14963	1.5
253.12070	1.4
253.15866	13.7
254.16290	1.4
255.13734	0.9
255.17567	0.7
257.11700	1.1
257.15509	0.7
257.19006	1.7
259.14923	0.7
262.13382	1.2
267.17429	21.8
268.17935	0.8
269.15521	1.8
269.19019	5.4
270.19391	0.7
271.13779	1.0
271.16916	6.2
277.15851	4.3
285.15335	1.3
285.18478	13.5
286.18912	0.9
295.16928	30.1
296.17227	2.6
313.17966	100.0
314.14084	1.5
314.18301	6.6
331.19040	19.3
331.23074	1.0
332.19302	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1647
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
50.86701	1.5
53.03946	6.1
55.01870	11.4
55.05511	24.6
55.74686	2.0
56.96553	3.6
57.03446	8.6
57.07074	3.2
59.05000	2.7
59.58347	1.7
61.02929	10.5
65.03936	2.1
67.05507	21.6
69.03075	2.6
69.03433	40.1
69.07070	8.1
70.06590	3.3
70.14401	3.3
70.14820	5.5
71.01350	2.3
71.05000	11.9
72.08144	3.9
73.02917	5.3
73.08495	2.3
75.96426	1.7
79.05492	16.4
81.03417	24.4
81.07057	53.9
83.04984	19.9
85.02904	30.0
85.06523	4.5
86.09710	5.7
87.04482	3.9
91.03935	2.5
91.05484	24.1
93.07042	81.0
95.04971	28.6
95.06089	1.6
95.08598	17.9
97.02893	30.8
97.06540	7.9
99.04462	10.6
103.03947	5.8
103.05451	2.8
105.07026	23.2
107.04942	6.3
107.08596	30.3
109.02864	5.3
109.06520	17.2
109.10158	23.4
110.07137	4.8
111.04440	5.2
111.08137	2.9
113.02491	1.8
113.06013	6.6
115.03927	3.4
117.07010	6.5
119.04926	3.8
119.08572	12.9
120.08120	2.9
121.06519	13.1
121.10159	9.8
123.04404	9.5
123.08071	5.9
123.11710	39.0
125.06000	5.1
127.03902	11.1
127.07528	3.2
129.05510	3.1
129.07028	2.5
131.08559	9.9
133.04956	2.2
133.06508	2.7
133.10115	18.9
135.08055	100.0
135.11703	5.7
137.06007	5.6
137.09618	15.5
139.11205	2.5
141.05510	4.4
143.00285	1.9
143.08574	4.6
145.04938	5.0
145.06514	2.5
145.10158	8.4
147.04449	7.9
147.08076	4.5
147.11685	6.3
149.05980	3.1
149.09616	24.9
151.07542	4.7
151.11179	37.9
153.12697	1.7
157.10129	5.0
159.07993	1.9
159.11734	4.9
161.01118	3.7
161.04033	1.8
161.05975	2.7
161.09612	11.4
163.07635	2.6
163.11215	14.5
165.09157	2.3
167.07088	2.3
167.10722	2.8
169.12201	9.1
171.08034	2.4
171.11667	3.5
173.09627	6.1
175.07542	2.0
175.11159	16.2
177.09174	1.9
177.12752	2.0
179.07059	3.7
179.10669	3.3
181.04953	6.1
181.06422	2.2
187.11198	4.2
189.09142	1.9
189.12762	1.9
191.10664	5.8
193.12262	7.6
194.07022	2.5
197.08107	2.4
199.11211	3.0
203.10632	2.0
205.12265	2.1
209.02728	3.4
213.12836	2.0
217.12271	5.4
223.07472	2.0
223.11145	1.8
227.09372	2.2
229.12234	4.0
235.13322	3.5
241.12321	2.2
247.13252	4.5
257.10352	3.0
259.13281	5.1
267.03928	2.2
267.18900	2.6
277.14380	6.8
295.15372	9.4
299.11478	2.7
313.12585	11.9
313.16418	39.9
313.19580	7.6
313.27109	1.9
314.13702	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.05512	0.2
56.96544	0.2
67.05509	0.2
69.03439	0.2
70.06606	0.1
71.16191	0.1
71.60956	0.2
77.03926	0.2
79.05486	0.3
81.07050	0.3
84.04458	0.2
85.06530	0.1
91.05457	0.9
93.07050	1.8
95.04977	0.4
95.08603	0.3
96.02891	0.1
97.02888	0.5
97.06517	0.2
103.05469	4.5
105.07050	0.4
107.04949	0.3
107.08547	0.2
109.10143	0.3
119.04926	0.1
119.07371	0.2
119.08591	0.2
120.08110	100.0
121.06525	0.4
121.08450	1.7
129.06978	0.1
131.04936	0.2
137.05946	0.3
137.69748	0.1
143.08574	0.2
145.02832	0.3
146.05997	0.2
147.04382	0.1
149.06012	0.2
151.07585	0.3
165.01894	0.2
166.08646	5.7
166.25781	0.1
177.00833	0.1
177.05504	0.7
181.05003	0.7
181.08638	0.2
189.09160	0.2
267.14963	0.7
267.17487	0.2
298.04828	0.3
313.07318	0.9
313.11569	0.6
313.15289	3.6
313.27609	0.1
314.13846	0.2
323.38419	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	313.1549
Annotation	Phe Phe
Peak:m/z	Relative Intensity
53.03933	0.2
55.01867	0.3
55.05510	0.2
67.05494	0.5
69.03440	0.3
69.07082	0.4
70.06612	0.2
71.43671	0.3
77.03912	0.2
79.05491	0.6
81.03432	0.2
81.07043	0.6
83.04974	0.3
83.08613	0.2
85.02921	0.2
85.10171	0.2
91.05476	2.0
93.07046	2.0
95.04961	0.5
95.08627	0.5
97.02893	0.9
97.03445	0.1
97.06517	0.2
98.97593	0.3
103.05472	5.0
105.07024	1.2
107.04945	0.4
107.08595	0.4
109.06458	0.2
109.10129	0.2
111.04434	0.3
111.08069	0.2
112.34285	0.1
115.05437	0.3
115.52677	0.1
116.98611	0.3
117.03387	0.2
117.07040	0.4
118.06536	0.2
119.04942	0.5
119.08581	0.6
120.08109	100.0
121.06502	0.4
121.08453	1.2
121.10132	0.2
123.08076	0.2
125.06007	0.2
129.07033	0.4
131.04909	0.3
131.08585	0.4
133.06491	1.7
133.10132	0.5
135.07043	0.2
135.08060	0.5
137.05968	1.2
142.12262	0.4
143.08585	0.2
143.68823	0.2
145.02888	0.3
145.10120	0.3
147.04414	0.5
148.04764	0.2
149.05986	0.3
151.07521	1.4
155.08516	0.2
157.06444	0.4
157.10132	0.5
159.11760	0.3
161.06062	0.2
166.08652	4.5
169.10136	0.4
171.11687	0.3
173.13263	0.2
173.43976	0.2
177.00648	0.2
177.05519	1.0
179.08533	0.3
181.04985	0.8
183.11740	0.3
185.09669	0.7
185.13332	0.2
189.07190	0.2
189.09122	0.9
193.10115	0.2
195.07980	0.2
200.02415	0.2
200.12003	0.3
206.07280	0.2
207.08058	0.3
221.06007	0.2
221.09644	0.3
223.14842	0.2
234.06757	0.2
235.07530	0.5
249.09221	0.2
252.07788	0.2
253.08885	0.2
253.12158	0.2
267.10220	0.5
267.14972	0.6
267.17493	0.2
271.60968	0.1
279.03394	0.1
279.06784	0.2
295.09781	0.3
295.17010	0.3
310.22961	0.2
313.07199	0.4
313.10873	0.8
313.15216	2.9
313.18118	2.2
313.27127	0.4
314.14178	0.2
314.27960	0.2
331.12634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
57.03424	1.2
57.07070	0.9
60.32706	0.8
62.95662	0.8
65.03947	1.0
67.05511	2.9
69.03431	2.0
69.07056	2.6
70.06613	1.2
71.04987	1.1
71.34357	1.7
72.08151	2.0
79.05483	2.1
81.03402	1.6
81.07061	4.5
83.04998	1.2
83.08617	1.1
84.04499	1.7
85.02930	4.2
86.09759	1.6
89.03909	7.4
91.05494	5.1
93.07046	3.3
95.04964	2.6
95.08615	5.1
97.02888	8.1
97.06529	1.6
105.07020	7.3
107.04951	1.2
107.08579	2.9
109.02901	1.1
109.06487	1.2
109.10152	3.2
111.04426	0.9
112.44125	0.8
117.03387	17.9
117.07021	1.0
119.04959	2.6
119.08586	3.1
120.04446	2.4
121.02856	6.5
121.06503	2.5
121.10191	1.6
123.04442	0.8
123.08067	2.2
129.07065	1.3
131.08572	2.6
133.06502	8.5
133.10100	1.1
134.03630	2.3
135.04436	2.1
135.08090	1.6
137.05992	3.4
141.06993	1.4
141.09143	1.0
142.07848	1.0
143.08525	2.4
145.02853	47.2
145.10188	1.4
146.03215	1.7
147.04398	1.8
147.08093	1.3
147.11682	1.0
149.05972	8.5
151.03920	1.0
151.07547	3.6
155.08575	1.4
157.10123	2.0
159.08110	1.0
161.05969	1.4
163.03860	1.1
163.07600	1.1
167.03447	2.9
177.05479	100.0
178.05806	2.0
181.05003	5.9
183.11729	1.2
185.09509	1.1
186.05479	3.3
189.09148	2.0
195.02895	2.2
195.11708	1.0
211.11183	1.0
213.05495	1.4
221.08023	0.9
225.16347	0.9
239.06984	1.4
249.16463	1.6
251.07072	1.2
252.07986	0.9
253.12338	0.9
253.15837	1.0
255.06543	3.7
256.07321	5.0
267.06509	5.6
267.17505	3.3
270.05231	2.2
277.15973	1.2
283.05942	5.0
284.06775	20.6
285.07413	2.5
295.06064	3.6
295.09476	0.9
295.16833	3.5
313.07074	97.2
313.10461	4.4
313.14597	2.7
313.17865	13.5
313.27304	2.2
314.07458	10.0
314.13724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80162	0.7
55.05503	1.4
57.03412	1.1
57.07067	1.1
57.15034	0.8
67.05516	1.7
69.03423	1.1
69.07070	1.4
69.42874	1.6
69.43285	6.1
71.04988	2.9
79.05486	2.6
81.07059	3.5
81.75953	0.7
83.04964	1.3
83.08666	0.8
85.02909	2.2
85.06536	1.0
89.03918	7.1
91.05477	10.6
93.07021	3.2
95.04961	3.9
95.08602	2.2
97.02888	7.7
97.06511	1.7
98.20808	1.7
99.04442	0.8
103.05482	1.5
105.06997	1.8
107.04956	3.6
107.08592	2.5
109.02874	0.9
109.06519	1.7
109.10149	2.7
111.04447	0.8
116.80894	0.7
117.03378	20.6
117.07008	1.2
119.04955	7.0
119.08568	1.4
121.06513	1.5
121.10081	0.9
122.03653	1.5
123.04462	1.5
123.11678	1.7
127.03922	0.9
128.06238	2.4
129.07025	6.0
131.04959	1.1
131.08592	1.1
133.10178	2.2
134.03639	2.5
135.04401	2.3
135.08037	1.1
135.11739	1.3
136.05209	1.2
137.05981	22.5
138.06366	0.9
145.02852	53.3
147.08109	0.8
149.05995	7.6
151.03981	0.9
151.07545	31.9
157.06480	5.2
161.05975	1.4
163.03905	1.2
163.07544	1.6
174.06792	3.2
175.07503	2.0
177.05473	100.0
178.05791	3.3
178.07690	1.6
181.04950	2.9
186.05486	1.6
189.09097	16.5
193.10147	1.6
197.08096	1.0
197.15398	4.4
221.06122	0.8
221.09642	4.5
249.09142	2.1
253.12262	2.8
255.06982	0.9
269.08081	1.6
281.11676	2.3
313.03372	2.5
313.10934	1.9
313.14285	15.6
313.20035	1.2
313.27185	1.0
335.22534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.9
60.61644	0.5
61.35408	0.6
65.03933	0.8
67.78765	0.5
70.89848	1.7
75.71372	0.6
76.77520	0.7
76.90907	0.6
78.04676	0.7
79.05456	0.6
79.40272	0.6
83.04969	1.1
85.02908	1.3
89.03910	4.1
91.05489	3.4
93.07034	2.2
95.04973	1.0
97.02893	4.0
97.06493	1.0
98.97623	0.8
105.07045	0.6
107.04924	1.2
107.08575	1.4
115.23416	0.6
117.03382	18.5
119.04941	4.1
120.05294	0.7
123.11729	0.9
133.10107	0.7
134.03677	0.9
135.04468	0.9
135.11717	0.8
136.06195	1.8
145.02843	48.1
146.03156	1.4
146.99597	0.9
147.04431	5.1
149.05994	6.7
154.94196	0.6
161.01231	1.5
163.03859	0.7
172.95122	0.7
177.05473	100.0
178.05824	3.2
181.04915	4.1
185.01230	0.6
186.05560	1.6
187.02812	0.7
189.00792	1.1
195.06451	1.0
213.09129	1.4
214.09435	1.0
249.02872	1.3
267.03821	1.3
285.04611	1.1
313.27274	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
56.96552	0.9
57.07086	0.9
67.05501	2.8
68.16596	0.6
69.03437	1.4
69.07057	1.6
69.48376	1.2
69.48771	5.7
71.08630	0.8
79.05505	1.4
81.03418	0.9
81.07057	3.7
83.05004	1.1
83.08646	0.8
89.03915	5.8
91.05476	2.4
93.07043	2.6
95.08594	3.2
97.02895	1.3
97.06527	2.5
105.07049	3.9
107.08593	2.2
109.10152	2.2
117.03388	21.2
118.03658	0.9
119.08575	2.5
121.06470	0.9
121.10159	1.3
123.08090	1.8
127.03926	2.7
129.06981	1.7
131.08572	1.2
133.06490	5.7
133.10146	2.0
134.03610	1.8
135.04420	2.1
137.09576	1.0
142.79697	0.8
145.02855	48.7
145.10118	2.0
146.03162	1.4
149.05983	7.1
151.07571	1.0
155.08580	0.8
157.10083	1.2
159.11734	1.4
161.01239	1.6
161.09654	0.8
161.13229	0.9
165.06938	0.8
177.05489	100.0
178.05803	2.3
183.11769	0.9
185.02919	1.2
185.09669	0.8
186.05571	2.0
195.06438	0.8
197.13264	0.9
199.07410	0.9
199.11215	1.0
209.13367	0.9
211.11275	1.0
249.02896	0.9
267.04007	1.3
267.17395	1.2
295.16922	1.3
298.10712	0.9
309.20154	0.8
313.10703	2.2
313.14404	1.4
313.17981	8.1
313.21603	1.7
313.25055	0.8
314.13925	1.7
331.19226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03737	1.9
53.03944	6.1
55.01870	7.2
55.05513	27.9
55.82958	1.7
57.03442	20.4
57.07072	4.2
67.05499	18.8
69.03431	44.4
69.07079	19.7
71.04996	12.2
71.08639	2.5
71.59439	2.3
79.05495	14.9
81.03419	40.4
81.07054	30.4
82.04205	14.5
83.04988	32.8
83.08601	14.3
85.02914	23.6
85.06538	4.0
87.00806	2.6
91.05473	18.3
93.07040	24.1
95.04958	11.2
95.08610	31.5
97.02891	18.1
97.06541	9.3
99.04433	2.5
99.08099	5.2
100.11273	3.1
103.05435	2.5
105.07038	12.6
107.04939	4.6
107.08587	7.4
107.16174	2.1
109.02886	3.2
109.06516	5.6
109.10162	4.3
111.04430	12.1
111.08087	71.5
113.09647	8.7
117.03409	2.3
117.07030	7.1
119.04929	3.1
119.08581	6.9
120.08086	3.6
121.06516	5.7
121.10168	4.3
123.04422	2.9
123.08048	10.9
127.03932	2.4
127.07576	8.7
129.06996	3.7
131.08556	5.1
133.06473	5.0
133.10121	3.1
135.08084	18.6
135.11584	2.1
136.93140	9.8
137.06003	9.2
137.09589	3.0
139.07556	56.5
140.07996	2.7
141.09096	37.0
141.11490	2.1
145.02841	4.9
145.10118	5.2
147.08023	5.3
149.09618	4.0
151.07562	30.6
153.09091	2.4
154.92935	3.4
154.94176	40.6
155.08514	2.1
163.11169	4.1
165.06911	3.2
165.09111	3.3
169.09874	2.5
172.95238	100.0
173.09621	2.4
177.05493	11.6
179.08337	2.0
179.10658	3.0
181.04941	2.5
189.09149	5.1
190.96292	74.0
191.10696	9.6
195.96840	9.9
207.10178	4.2
209.11739	47.0
213.97870	4.1
215.15500	2.6
225.09070	5.3
232.06776	2.6
249.16278	2.4
261.05234	1.9
269.13733	5.6
273.05756	6.9
277.21725	3.5
279.06659	7.6
291.06693	93.6
295.08655	4.0
295.11795	64.2
309.07712	46.3
313.07220	2.8
313.13098	9.7
313.18100	7.8
314.08212	15.3
314.11258	3.3
327.08768	15.0
332.09500	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	312.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
53.61002	0.7
55.01871	0.9
55.05508	25.1
56.05031	11.1
56.05847	0.8
57.03426	1.6
57.07071	11.5
58.02958	1.4
60.04515	3.2
65.03957	1.2
67.05499	21.6
68.05025	10.0
68.05866	1.2
69.03417	1.2
69.07067	33.0
70.06577	2.8
71.04996	1.0
71.08625	6.1
71.59047	0.9
72.04514	1.7
74.06064	1.5
76.39088	0.8
79.05486	17.1
80.05009	2.0
81.03438	0.9
81.07049	24.0
82.06580	6.0
82.07362	1.4
83.04987	1.2
83.08614	16.5
85.10182	2.5
86.06063	51.8
91.05467	12.5
93.07039	12.4
94.06565	3.9
95.04971	2.5
95.08601	25.3
96.08127	2.1
97.06511	3.7
97.10162	11.0
98.06053	1.4
99.08085	1.6
100.07608	3.4
105.07028	12.2
106.07378	0.8
107.08595	7.9
108.08102	3.2
108.08887	1.6
109.06512	2.7
109.10146	13.6
110.10454	1.1
111.11703	2.5
112.07624	1.1
114.09170	1.8
117.07015	1.4
119.08575	7.5
121.06557	1.0
121.10143	6.0
122.09713	1.1
123.08081	0.9
123.11687	3.3
125.13269	1.0
126.09151	1.1
129.07112	0.8
131.08531	1.3
133.06487	1.4
133.10144	5.9
135.11681	5.8
137.13281	1.5
141.12804	0.8
143.08562	1.4
145.10144	1.7
147.11714	5.9
149.13239	2.5
157.10112	1.4
159.11694	1.1
161.13234	2.2
165.12794	1.0
165.16367	0.8
171.11684	1.2
175.14790	1.2
183.11638	0.8
185.09605	0.8
200.88809	0.8
205.19424	1.2
211.14871	1.0
233.22604	0.8
238.11678	1.0
244.32173	0.9
259.24161	5.3
264.26883	7.4
271.55112	0.8
276.20206	1.4
276.26935	8.0
277.15649	0.9
277.21805	0.8
294.21466	11.7
294.27902	100.0
295.16846	1.2
295.22470	1.3
295.28253	4.0
312.11926	1.5
312.16577	1.0
312.28909	2.4
312.32465	1.2
313.17902	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	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01875	1.3
55.05517	2.1
56.96561	4.7
57.03440	4.9
57.03662	1.0
59.05000	1.0
61.02925	10.2
68.05015	1.0
69.03426	18.8
69.07067	21.6
70.06577	3.2
70.51192	3.2
71.04971	3.8
73.02914	4.1
79.05508	0.9
81.03413	7.1
81.07017	1.2
84.08146	1.6
85.02904	100.0
85.07652	3.2
86.08457	1.0
86.09731	2.1
87.04449	3.5
87.07599	1.8
87.08102	18.7
91.03950	5.1
91.05479	2.8
95.04976	1.2
95.06064	1.5
97.02887	24.2
97.06515	4.3
97.82594	0.9
99.04433	4.0
104.10744	1.3
105.06995	1.1
105.09158	1.6
109.02873	7.9
110.07145	7.1
115.03934	1.6
115.07561	12.3
119.04935	2.3
120.50567	1.1
127.03921	27.8
133.08595	12.6
143.00168	1.0
145.04955	56.8
146.99527	1.6
147.04398	2.3
156.07747	1.3
163.06009	13.9
181.05020	1.3
189.00696	2.5
203.02234	1.2
213.08997	1.0
249.02751	1.8
255.14758	1.1
266.18683	2.6
295.13644	1.5
312.19214	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	312.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01864	3.2
55.05495	1.3
55.58514	0.6
56.96567	1.0
57.03436	5.5
59.04980	0.9
60.94964	0.7
61.02932	8.7
69.03429	16.8
69.07067	10.2
70.06555	0.7
70.21783	1.8
70.22179	1.4
71.04990	3.0
73.02907	4.5
73.06561	1.1
81.03421	9.7
81.07050	1.4
82.47294	0.7
83.04991	1.2
85.02905	100.0
87.04462	3.3
87.08109	18.9
91.03961	7.6
91.05455	1.1
93.07039	1.9
94.52261	0.8
95.06097	1.2
95.08627	0.9
97.02892	27.0
97.06522	1.2
98.20871	0.9
98.97574	0.7
99.04450	4.0
101.02368	0.8
105.09156	1.9
107.08614	1.0
109.02882	10.9
110.07162	8.5
115.03926	1.2
119.04964	1.5
125.02363	0.7
127.03921	27.5
131.21735	0.8
133.08606	6.0
135.11729	1.0
145.04961	53.7
147.04408	0.8
151.03964	0.8
154.94167	0.9
156.07761	1.2
163.06032	16.8
172.95276	2.2
177.00800	0.8
180.08746	1.2
190.23691	0.7
190.57701	0.8
190.96323	1.5
214.18042	0.8
266.18613	3.7
289.04993	0.8
289.49869	0.7
295.13925	1.1
307.06116	1.2
312.19168	9.9
312.32306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.01879	0.3
56.96562	2.3
57.03424	0.8
61.02921	1.1
67.05513	0.3
69.03130	0.2
69.03435	2.4
69.07083	0.4
70.06583	0.3
70.83314	0.7
70.83686	0.3
73.02921	0.9
81.03422	0.8
83.20421	0.2
85.02903	3.5
86.09715	0.8
87.04463	0.4
91.03951	0.4
91.05472	0.3
95.06094	1.0
97.02889	1.8
98.25394	0.3
98.97556	1.6
99.04454	0.4
108.05622	0.3
109.02882	0.8
109.05095	0.6
110.50958	0.3
116.98615	1.7
119.01936	0.5
123.05602	0.3
127.03938	1.2
131.01860	0.3
131.77083	0.3
132.08102	0.3
133.05101	7.4
134.99684	0.5
145.04999	0.3
146.99614	0.4
147.04413	0.4
150.07755	100.0
151.08189	1.4
152.07091	0.3
158.99664	0.3
161.01195	0.8
161.02853	0.3
163.04121	0.2
180.08817	0.4
186.03159	0.6
192.98680	0.6
201.00710	0.4
209.12790	0.5
216.98773	0.7
219.01880	0.5
232.96460	0.3
234.99692	1.4
237.02699	0.3
249.02855	0.3
250.66223	0.3
268.20212	0.8
312.13025	29.6
313.13293	1.1
330.07001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.01867	2.2
55.05262	3.2
55.05510	42.8
57.03437	16.9
57.07080	23.7
64.68164	1.9
67.05512	11.1
69.07066	46.8
71.08628	12.0
71.60596	2.9
71.61002	2.3
74.49219	1.7
79.05503	6.2
81.07057	13.7
83.04984	2.3
83.08622	44.7
85.10179	5.6
91.05497	2.6
93.07048	7.2
95.08607	7.2
97.06551	6.0
97.10173	26.5
105.07030	2.5
107.04956	2.2
107.08607	7.2
109.10157	4.6
111.04443	3.0
111.08046	2.0
111.11740	9.1
119.08566	2.4
121.10136	8.9
123.11674	3.4
125.06004	1.9
125.09619	2.8
125.13316	3.1
131.08556	2.5
134.01395	1.8
135.04453	4.1
135.11685	5.0
139.11179	2.2
145.10127	2.2
149.13246	2.5
153.05527	2.4
161.09695	2.6
188.58516	1.7
209.11664	17.1
237.11234	14.5
255.12262	3.8
258.56235	2.0
293.17670	2.1
311.16312	5.8
311.25848	100.0
312.26199	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.25674	0.5
53.03936	1.2
55.01870	1.1
55.05514	40.2
57.03442	16.0
57.07077	19.1
59.05001	0.5
65.32555	0.5
67.05505	5.4
69.07071	39.9
69.34762	5.2
70.07398	1.0
71.08635	10.5
71.41296	0.4
73.02915	0.7
73.06546	0.6
75.19820	0.5
78.75881	0.5
79.05494	3.8
81.07056	7.9
83.04998	0.7
83.08620	39.2
84.08956	0.8
85.10181	4.6
86.59474	0.4
93.07037	4.8
95.08612	6.4
97.06532	3.4
97.10175	27.3
97.55946	0.5
107.08598	3.4
109.10159	2.3
111.08075	1.6
111.11721	7.9
121.10152	5.8
123.11717	1.4
125.09629	1.4
125.13304	2.3
129.05435	0.4
135.11716	3.4
137.13274	0.9
139.11172	1.1
145.73730	0.5
149.13275	2.0
153.12752	0.6
163.14813	0.9
177.16322	0.5
209.11711	0.7
219.21130	1.8
237.22150	0.7
308.76828	0.5
311.25812	100.0
312.26184	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	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50654	0.4
52.60581	0.5
53.03933	1.0
54.78542	0.4
55.01860	1.7
55.05511	44.0
57.03148	0.6
57.03436	18.7
57.07075	19.3
67.05501	5.7
69.07066	47.7
69.97426	1.1
69.97837	1.6
71.08633	12.5
73.02902	1.4
73.06536	0.6
79.05491	3.9
81.07057	9.9
83.04985	0.8
83.08617	41.7
84.08944	0.7
85.10180	5.3
91.05451	0.5
93.07044	5.5
95.08040	0.7
95.08604	7.1
97.06519	3.5
97.10168	28.8
107.08589	4.0
109.10163	2.8
111.08072	2.1
111.11027	0.6
111.11719	7.8
121.10142	5.2
123.11712	1.2
125.09608	1.3
125.13277	2.3
129.05496	0.6
135.11699	4.3
137.13222	0.9
139.11171	1.6
139.14845	0.8
149.13263	2.8
153.12749	1.1
163.14838	0.9
170.06253	0.5
209.11818	0.9
219.21130	1.4
237.11086	0.7
237.22130	1.0
311.25800	100.0
312.26157	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	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.18290	2.4
54.37318	2.9
55.01856	6.6
55.05509	51.1
57.03429	4.8
57.07059	9.7
59.04985	2.4
67.05505	69.3
69.03413	9.0
69.06724	3.4
69.07069	49.3
70.71974	8.4
71.04996	4.2
71.08607	7.9
79.05494	29.1
81.06573	4.5
81.07053	70.3
83.04961	5.7
83.08614	30.7
85.06518	7.4
85.10198	4.3
91.05473	8.5
93.07049	29.9
95.04929	3.6
95.08605	57.4
97.06516	8.5
97.10167	45.7
99.08085	7.8
105.07014	8.3
107.08591	33.3
108.13274	2.3
109.06537	4.0
109.10161	42.5
111.08077	7.5
111.11700	2.9
117.07014	3.9
119.08563	5.9
121.10127	12.3
123.11674	12.1
125.09614	32.2
131.08572	4.4
133.10094	6.2
135.04413	13.9
135.08028	9.2
135.11668	27.7
137.13220	13.3
142.72603	2.2
145.10123	5.1
147.11684	5.1
149.13269	9.9
151.14787	6.0
153.09103	6.9
153.12749	11.3
157.12207	3.7
159.11690	5.4
161.09613	14.9
161.13213	4.3
163.14833	4.2
165.12708	3.4
173.11699	8.7
173.13248	8.5
187.14854	4.7
193.15993	2.5
203.12779	23.7
209.11690	14.1
209.15364	5.5
223.17020	3.2
226.21417	3.0
237.11221	9.9
243.21086	11.0
261.22147	30.6
279.23181	100.0
280.23453	6.6
293.24768	4.1
311.16254	18.4
311.25879	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	311.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.8
55.05520	23.0
67.05505	37.8
69.07069	30.3
69.67284	27.2
71.08633	97.9
79.05483	24.0
81.07058	62.4
83.04974	6.0
83.08617	22.1
85.06554	4.4
91.05466	17.9
93.07039	28.8
95.08610	54.2
97.06543	13.1
97.10089	8.1
99.08091	97.5
101.68285	3.4
105.07018	16.2
107.08623	18.3
109.06519	4.3
109.10165	21.4
111.08088	3.8
119.08559	10.4
121.10136	15.0
123.11665	6.8
125.09570	4.1
127.11154	5.0
131.08617	5.6
133.10124	4.6
135.04399	5.9
135.11667	15.1
137.13254	7.8
145.10083	7.2
147.11681	44.5
149.09557	7.0
149.13164	4.8
153.12703	21.2
159.11606	4.5
161.09619	11.4
163.11252	8.4
163.14816	10.6
165.12772	13.5
167.14273	4.5
173.13196	5.0
173.91696	3.6
177.16518	4.7
181.15892	6.4
209.11731	7.0
233.22644	4.3
237.11224	7.3
243.21077	17.3
249.19781	3.8
255.12384	3.8
261.22070	26.3
279.23196	100.0
280.23483	8.0
293.24652	6.2
311.16376	5.7
311.25702	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	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.01877	1.2
55.05513	39.4
56.96565	1.4
57.03439	15.1
57.07078	20.8
67.05507	6.6
69.07072	42.6
70.07417	0.6
71.08637	12.8
71.12297	1.4
73.06534	0.9
74.52970	0.5
79.05482	3.7
81.07063	8.8
83.04971	1.3
83.08624	38.9
84.08943	0.6
85.10188	4.2
91.05438	0.7
93.07047	6.1
94.94166	0.6
95.08611	7.8
97.06535	4.2
97.10176	27.6
107.08586	3.3
108.32054	0.5
109.10150	2.6
111.08081	2.4
111.11725	9.0
121.10136	5.4
121.10941	0.7
123.11691	0.7
125.09622	1.3
125.13289	1.3
131.57364	0.6
135.04437	0.6
135.11687	4.4
137.13211	1.3
139.11182	1.0
149.13246	2.1
158.50082	0.6
159.11766	0.6
163.14825	1.2
165.38972	0.5
167.26900	0.6
168.21060	0.6
209.11749	1.7
219.21048	1.1
221.82663	0.6
237.11186	1.9
240.16338	1.2
311.25818	100.0
312.26212	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
53.72377	3.5
55.01860	6.7
55.05507	25.1
57.03435	6.8
57.07063	8.2
67.05500	39.1
69.07069	59.1
70.32315	15.4
70.32696	6.8
79.05492	27.6
81.03386	4.1
81.07054	51.0
83.08613	16.1
86.40567	3.9
91.05482	43.7
93.07043	100.0
94.38133	4.5
95.04969	72.2
95.08610	99.0
97.06529	29.4
105.07027	74.0
107.08594	52.7
109.06516	17.8
109.10148	40.9
113.26514	4.2
117.07013	14.7
117.28833	4.0
119.08577	70.8
121.06503	15.9
121.10136	45.9
123.08061	15.5
123.11717	18.3
129.06993	4.6
130.07758	4.6
131.08557	24.5
133.10153	33.0
135.08055	8.8
135.11684	20.1
137.09608	7.9
142.07739	7.9
143.08533	15.1
145.10135	39.8
147.11687	28.5
149.09627	8.2
149.13225	5.9
155.08566	4.8
156.09398	5.5
157.10107	25.2
159.11697	42.2
161.09650	8.9
161.13260	12.5
163.11162	5.6
169.10095	5.9
171.11655	14.5
173.13252	9.7
175.14828	10.9
177.16350	21.9
182.10846	4.9
183.11667	8.7
185.13150	7.2
187.11230	6.3
187.14803	5.0
189.16391	12.4
197.13258	8.9
199.14844	9.2
201.16362	11.2
203.18044	5.7
209.13396	5.4
211.14885	7.8
213.16402	4.5
215.17917	8.3
219.17487	7.9
223.14806	6.6
225.13000	4.6
237.11288	7.6
293.22705	5.6
311.23456	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01850	2.1
55.05510	11.6
57.03416	0.9
57.07077	4.9
60.30894	0.7
67.05500	12.2
69.03404	1.7
69.07066	5.6
71.08629	12.4
71.24303	1.3
79.05492	6.9
81.03375	1.6
81.07057	11.3
83.04958	3.1
83.05407	0.8
83.08614	5.0
86.06069	1.9
91.05482	5.2
93.07044	5.9
95.04958	3.5
95.08611	9.0
97.06535	1.8
97.10169	6.4
99.08092	6.2
105.07027	5.9
107.04954	2.2
107.08588	5.8
109.06533	1.8
109.10149	4.5
111.04430	1.5
117.06980	2.1
119.08560	2.4
121.06511	4.1
121.10124	3.1
123.08077	1.2
123.11721	1.4
125.06002	1.3
125.09619	4.9
131.08574	2.0
133.10115	2.8
135.08034	1.1
135.11664	2.2
139.11180	1.6
141.09090	0.9
145.10095	2.1
147.11708	1.2
149.09529	1.1
149.13283	1.7
151.11179	3.2
153.05428	1.8
153.09181	1.2
157.10129	1.0
159.11635	1.4
163.11169	1.8
165.12801	3.7
171.11737	0.8
173.11870	0.9
173.13205	1.3
175.07576	0.9
177.12793	1.6
181.12254	1.0
183.11627	0.9
184.80812	0.8
189.11212	2.0
191.10678	1.2
195.11946	0.8
195.13809	3.1
207.11496	0.8
209.11700	8.2
211.13153	1.0
237.11200	7.2
247.20624	0.8
255.12335	2.7
275.20068	8.5
293.21097	100.0
294.21436	3.9
294.27780	3.7
311.13019	1.5
311.16464	3.2
311.24167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.05505	23.6
57.03424	8.6
57.07072	41.6
67.05504	38.1
68.55219	2.9
69.03427	8.3
69.07063	12.0
69.61378	21.9
70.06579	5.6
71.04993	7.7
71.08635	6.5
74.83563	2.8
77.18762	3.3
79.05495	29.6
81.03412	4.8
81.07060	40.9
83.04987	11.2
83.08614	18.8
85.02885	5.1
85.06546	9.1
88.07610	6.7
91.05478	33.6
93.07043	27.7
95.04980	9.3
95.08601	28.2
97.06535	7.4
97.10162	17.9
98.20831	5.0
99.08096	6.7
100.99111	3.0
105.07024	27.6
107.04954	9.8
107.08600	26.7
109.02904	5.7
109.10159	24.9
111.04449	21.1
111.08092	8.5
115.06673	3.0
117.07024	10.8
119.08572	18.4
121.06536	5.0
121.10157	18.2
123.08057	5.3
123.11733	5.5
125.06004	10.9
125.09640	14.1
127.89807	3.2
129.07022	5.3
131.08597	14.6
133.10120	25.7
135.11693	4.9
137.05986	11.2
137.09631	5.2
139.11195	11.8
141.85854	2.9
145.06493	4.6
145.10132	13.2
147.11707	9.2
149.02330	12.9
149.05974	8.2
149.09622	13.6
149.13283	5.3
153.05511	19.8
155.08685	4.3
157.10167	3.3
159.11731	9.7
163.03885	3.3
163.11168	9.4
171.11653	6.7
173.11754	9.4
173.13217	7.2
181.04993	4.4
181.12204	7.2
183.11731	3.6
189.11156	14.3
191.08667	7.0
191.10675	13.9
193.04944	23.1
193.12354	3.5
193.27853	3.3
196.62550	12.8
197.13306	4.4
200.20108	4.3
203.12695	4.1
209.11723	100.0
209.13617	5.7
219.08081	8.0
224.65599	8.2
225.15958	3.6
237.11211	92.8
238.11525	3.3
239.17961	8.2
251.10680	11.7
255.12221	21.4
256.26468	3.6
257.19031	4.8
275.20074	51.4
279.10089	11.1
293.17603	7.3
293.20969	16.6
294.21466	10.2
311.12982	14.6
311.15976	6.2
311.19168	5.8
311.24548	97.8
311.74704	25.4
312.12097	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03946	2.2
55.01869	5.0
55.05512	19.9
56.96569	3.0
57.03435	4.4
57.07063	3.5
67.05167	3.2
67.05502	34.9
67.05830	1.3
69.03418	4.5
69.07069	20.5
69.85387	6.9
71.04994	4.2
72.30984	1.8
79.05494	26.6
81.03426	2.9
81.07055	51.3
82.02585	1.7
83.04983	5.0
83.08630	10.5
85.06544	3.8
91.05473	29.0
93.07047	39.8
95.04970	8.1
95.08605	36.6
97.06532	8.2
97.10165	8.1
105.07030	32.9
107.04953	3.0
107.08594	27.3
108.08932	3.0
109.06506	6.4
109.10155	20.5
111.08073	4.8
117.07015	9.3
119.08580	27.8
121.06502	4.0
121.10161	19.1
123.08053	6.6
123.11710	5.3
125.09644	10.1
129.06979	4.6
131.08568	13.5
133.02898	2.8
133.06526	2.3
133.10138	26.5
135.08069	4.9
135.11697	5.6
137.05943	5.7
137.09613	4.8
139.11166	2.7
145.10130	15.6
147.07956	1.9
147.11674	13.9
148.12018	1.7
149.09637	9.8
149.13260	2.9
151.11183	3.5
157.10112	4.7
159.11691	10.9
161.09636	2.3
161.13274	5.9
163.03903	2.2
163.11160	6.5
165.12791	4.0
169.10106	3.2
171.11688	6.3
173.11853	3.4
173.13281	6.0
175.11098	2.2
177.12794	3.5
183.11732	2.1
189.11192	4.7
195.13783	4.0
219.08047	3.6
220.56911	2.9
229.19507	4.1
231.17459	2.5
235.16998	6.3
239.17973	6.2
247.20671	2.8
251.10544	3.7
257.18970	10.3
265.21671	2.8
275.20059	100.0
276.20346	5.1
279.10049	2.3
293.21158	24.0
311.12814	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	311.2217
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
53.03902	0.6
55.01855	0.9
55.05517	7.2
55.36454	0.5
57.03426	1.2
57.07081	4.4
65.03936	0.7
67.05500	6.2
69.03408	1.1
69.07071	3.2
70.12595	1.3
70.13007	1.5
71.04977	0.6
71.08634	9.7
74.15943	0.6
79.05495	5.9
81.03387	1.1
81.07059	7.3
83.04977	1.7
83.08614	3.6
91.05488	3.4
93.07038	3.7
95.04957	3.8
95.08599	4.3
97.06511	1.5
97.10168	4.9
99.08083	4.8
105.07035	4.6
107.04945	2.7
107.08598	4.7
108.05676	0.6
109.06505	2.2
109.10153	2.0
111.04424	1.9
117.07020	1.7
119.08572	2.3
121.06506	3.8
121.10139	1.8
123.08126	0.7
123.11708	0.7
125.05991	1.3
125.09610	2.7
131.08559	1.9
133.10118	2.1
135.08040	1.3
135.11685	0.8
137.09552	0.8
139.11104	0.6
145.10120	1.7
147.11688	1.1
149.13255	1.2
151.11177	0.7
153.05482	2.5
157.10165	1.0
161.09650	0.6
163.11169	1.0
165.12750	3.2
171.11688	0.7
177.12773	1.3
181.12175	0.8
183.11554	0.7
189.11171	1.7
191.10637	1.3
195.83968	0.5
209.11714	9.6
223.13062	0.6
237.11215	8.8
247.20595	1.0
255.12160	3.2
275.20078	5.9
293.21103	100.0
294.21414	3.1
311.16229	1.4
311.25809	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03949	8.4
54.81110	3.6
55.01864	10.8
55.05509	69.7
55.93204	3.6
56.15250	3.1
56.96562	5.6
57.03429	8.1
57.07072	9.5
57.19655	3.4
61.21390	3.3
64.88347	3.2
67.05159	6.9
67.05501	63.9
69.03430	8.9
69.07069	32.8
69.63462	7.4
69.63876	15.8
71.05002	9.4
71.08653	5.4
74.61072	3.0
77.18607	2.8
79.05491	79.7
81.03416	15.2
81.07056	94.0
81.07524	6.6
83.04984	15.4
83.08616	37.4
83.98856	3.3
85.06532	7.7
87.62970	3.5
91.05479	41.1
93.07041	59.8
95.04958	25.7
95.08614	45.5
97.06540	6.9
97.10160	50.2
98.97610	3.9
99.08095	11.4
103.05425	4.1
105.07025	36.2
107.04949	17.2
107.08591	100.0
109.06509	7.9
109.10184	22.1
111.08071	7.5
117.07022	14.0
119.08580	30.5
121.06530	7.2
121.10145	35.0
123.08070	4.2
123.11733	10.6
125.09620	47.7
129.07002	5.3
131.08556	27.7
133.10107	26.6
135.08060	8.7
135.11708	11.8
143.08539	9.9
143.10669	4.0
145.10118	22.8
147.11714	22.9
149.09587	18.7
149.13300	4.9
151.11192	4.6
153.09077	5.0
157.10123	7.5
159.11719	10.8
161.13287	10.4
163.11134	7.1
169.10147	4.2
171.11664	4.7
173.11818	6.4
173.13322	10.8
175.14783	3.5
181.12263	6.7
183.11801	3.7
189.11237	49.4
195.13898	3.7
197.13354	5.3
209.11717	5.2
229.19464	8.3
239.17996	4.6
247.20645	4.6
257.19000	21.0
275.17258	7.3
275.20074	90.4
286.95386	4.6
293.21115	34.3
311.12762	8.1
311.16110	4.5
311.29257	4.6
312.12595	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03921	0.6
55.01856	1.8
55.05508	10.8
57.03426	0.6
57.07076	2.7
57.49398	0.4
59.04989	0.6
60.12802	0.5
67.05505	5.5
69.03416	1.0
69.07063	4.3
70.75766	1.3
70.76112	0.6
71.08631	10.0
79.05489	4.7
81.03429	0.6
81.07054	5.7
83.04961	1.7
83.08622	5.3
85.06529	0.7
89.52092	0.5
91.05460	2.1
93.07069	3.0
95.04962	2.9
95.08604	3.7
97.06529	1.0
97.10163	7.1
98.21354	0.5
99.08083	4.9
105.07005	1.9
107.04945	2.0
107.08598	5.6
108.05677	0.7
109.06497	1.1
109.10159	1.4
111.04385	0.8
111.08081	0.8
113.06008	0.5
119.08566	1.4
121.06490	4.0
121.10110	2.0
123.08038	0.8
125.09615	5.4
131.08568	1.0
133.10123	0.7
135.08037	1.1
135.11655	1.3
139.11203	0.6
145.10110	1.0
147.11681	0.6
149.13278	0.6
151.11171	1.4
153.05403	0.9
153.23195	0.5
157.10100	0.8
163.11162	0.8
164.12083	0.6
165.12752	0.7
167.10660	0.6
177.12721	1.9
189.11240	2.4
191.10680	0.7
200.12593	0.5
209.11728	5.3
211.13361	0.9
237.11261	4.0
237.14546	0.5
247.20479	0.7
255.12213	0.8
257.18988	1.0
265.21555	0.9
275.20029	5.1
293.21097	100.0
294.21408	4.7
311.16190	1.0
311.24750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03910	1.0
55.01844	1.4
55.05509	15.8
55.05767	0.5
55.61496	0.3
57.03434	4.3
57.07068	3.7
59.04983	0.4
67.05503	10.0
69.03423	1.5
69.07066	11.4
70.91885	0.3
70.92216	0.7
71.04971	0.7
71.08629	10.7
74.64901	0.3
79.05491	6.5
81.03416	2.5
81.07057	9.8
83.04955	2.0
83.08158	0.6
83.08616	9.5
85.06512	0.7
85.10139	0.9
91.05064	0.3
91.05476	2.8
93.07043	5.8
95.04974	3.3
95.08072	0.4
95.08606	7.1
97.06496	1.2
97.10168	11.0
99.08089	5.9
105.07037	2.6
107.04903	1.4
107.07967	0.4
107.08593	5.5
108.05712	0.7
109.06528	1.6
109.10149	3.5
111.04395	0.7
111.08041	1.5
111.11691	0.6
117.06983	1.0
119.08536	1.5
121.06498	4.9
121.09430	0.4
121.10146	3.7
123.08065	1.7
123.11657	1.0
125.08779	0.4
125.09631	6.6
131.08557	1.6
133.10109	2.0
135.08040	0.9
135.11705	2.9
137.09547	1.1
137.13225	0.6
139.11134	0.7
145.10077	0.9
147.08179	0.5
147.11674	0.8
149.09612	0.9
149.13199	1.3
151.07510	1.2
151.11185	2.2
153.05455	0.7
153.09071	0.5
153.12753	0.5
159.11638	0.9
160.12456	0.4
161.13196	0.9
163.11168	0.7
163.14700	0.7
164.11925	0.7
165.12782	0.9
167.10612	0.5
171.11745	0.3
173.09525	0.4
177.12685	1.6
187.11215	0.3
189.11197	3.1
189.16454	0.4
191.10635	0.4
204.18745	0.7
209.11702	3.2
221.02612	0.3
237.11205	2.0
237.22166	0.3
247.20555	0.6
255.12355	0.6
257.18921	1.4
265.21475	0.5
275.20084	6.7
293.21097	100.0
294.21478	4.4
303.04425	0.3
311.16187	0.8
311.22473	0.7
311.25797	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	311.2217
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.03936	1.5
55.01879	3.3
55.05513	7.9
56.02542	1.1
57.03447	1.4
57.07075	33.5
66.28780	1.2
67.05503	15.1
68.99788	1.8
69.03428	1.7
69.07070	6.5
70.04069	3.5
70.06606	2.0
71.01365	1.7
71.04996	2.6
71.08620	2.9
79.05498	8.1
81.03419	1.7
81.07061	17.3
83.04999	9.6
83.08641	2.5
85.06538	1.6
86.26697	1.2
88.07651	2.4
91.05485	11.0
93.07054	10.1
95.04987	3.0
95.08602	13.2
97.06521	5.1
97.10182	2.0
98.20615	2.2
99.08106	1.3
102.17849	1.2
105.07028	10.6
107.04939	3.6
107.08585	6.2
109.02882	5.5
109.06509	3.7
109.10152	8.9
111.04443	19.1
117.07014	4.5
119.08594	5.3
121.06499	2.5
121.10128	6.9
123.08085	2.2
125.06004	6.8
125.09680	1.6
131.08589	5.9
133.10141	12.2
135.04428	4.5
135.11703	3.6
137.09633	3.3
139.07542	1.4
139.11227	3.2
145.10130	5.1
147.11678	2.2
149.02328	7.7
149.09607	5.0
153.05479	17.2
157.10121	2.7
159.11710	2.7
163.03885	1.6
163.11194	6.3
171.11774	1.8
173.11749	7.9
173.13188	2.9
181.04926	4.2
181.12195	9.1
191.10649	13.0
193.04964	18.5
194.05409	2.2
196.62538	5.4
200.20078	1.6
203.51645	1.4
209.11732	100.0
210.12083	3.0
210.64215	1.2
218.57600	1.4
219.10272	1.9
224.65714	5.0
229.25642	1.6
234.09979	1.1
237.11209	82.6
238.11491	2.9
239.17961	2.3
255.12273	24.1
256.26282	3.6
257.18994	1.4
275.20084	12.4
276.20547	1.3
280.12015	1.6
293.17474	8.2
293.21082	4.3
311.13016	2.8
311.18826	9.4
311.24509	30.8
311.74640	11.4
312.12643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03933	2.6
55.01877	6.9
55.02291	0.8
55.05514	10.5
57.03434	4.6
57.07070	5.8
60.46309	0.7
65.03921	1.0
67.05505	38.0
69.03436	1.9
69.07068	11.9
69.91639	2.6
69.92038	1.2
71.04990	3.0
71.08646	1.1
79.05056	1.3
79.05493	16.8
81.03409	8.9
81.07057	27.5
82.07409	0.9
83.04979	7.5
83.08603	3.6
85.06548	2.9
85.10199	4.0
91.05481	10.8
92.35452	0.7
93.06468	1.2
93.07043	17.0
93.90712	0.7
95.04996	4.9
95.08607	100.0
96.08923	1.9
97.06527	8.3
97.10170	1.7
99.08093	1.9
105.07038	6.9
107.04960	1.7
107.08592	6.5
109.06528	2.0
109.10165	9.6
110.56766	0.7
111.04410	0.9
111.08076	1.0
113.09628	4.1
117.07031	2.4
119.08578	3.8
121.06519	1.0
121.10136	5.6
123.08083	5.4
123.11696	1.8
125.09637	3.2
131.08597	2.2
133.10120	3.8
135.11711	4.0
137.09584	1.5
137.13257	0.9
139.11266	0.7
141.09093	8.7
145.10147	3.0
147.11713	1.4
149.09637	1.3
149.13252	2.4
151.11208	3.7
153.05449	1.1
153.12776	1.6
159.10170	51.0
160.10536	1.1
161.13229	1.9
163.11229	1.3
163.14857	1.1
165.12810	4.7
167.14397	1.1
173.13222	1.0
177.12865	0.9
181.12248	1.0
183.23126	0.7
195.13866	2.0
201.69769	0.7
209.11699	3.9
211.13345	0.7
229.19592	1.3
237.11276	2.5
247.20593	2.1
265.21631	86.3
266.21942	3.1
275.20135	1.5
289.46503	0.7
293.21021	5.0
311.16525	1.3
311.22141	18.1
311.24905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.63113	0.9
52.29647	0.8
53.03945	1.4
53.44036	0.8
55.01878	7.8
55.05512	44.3
55.57138	0.8
57.03186	1.1
57.03442	16.4
57.06824	1.2
57.07078	17.7
59.04983	1.1
65.03889	0.8
67.05505	23.5
69.03410	1.3
69.07069	52.2
70.99465	1.9
71.04983	2.0
71.08633	10.8
73.02927	1.4
79.05497	13.5
81.03415	2.9
81.07059	25.7
82.07439	0.7
83.04985	6.0
83.08620	36.2
83.09118	2.0
85.02879	0.8
85.06532	2.8
85.10182	6.1
91.05479	9.6
93.07040	16.0
95.04961	6.1
95.08608	16.6
97.02880	1.1
97.06544	5.2
97.10172	25.7
99.04451	1.2
99.08089	2.8
105.07030	9.9
107.04966	2.4
107.08603	13.4
109.06497	2.8
109.10156	16.9
111.04443	4.9
111.08068	3.5
111.11725	8.2
113.09634	1.8
116.45054	0.9
117.07048	2.1
119.08585	4.4
121.06516	1.8
121.10139	11.5
123.04437	0.9
123.08085	3.0
123.11728	5.0
125.05984	1.6
125.09627	5.6
125.13248	2.2
127.07512	0.9
127.40735	0.7
131.08585	3.9
133.10147	8.9
134.10535	1.1
135.04419	33.6
135.08044	1.9
135.11708	7.0
136.04732	1.0
137.09619	2.4
137.13235	1.7
139.11142	0.8
143.08524	1.3
143.77621	0.8
145.10098	3.9
147.11723	1.3
149.09604	3.1
149.13289	3.9
151.11180	9.9
153.12767	1.7
153.64244	0.8
155.08571	0.9
157.10150	2.1
159.11758	1.8
161.09625	14.6
162.09978	1.1
163.11221	2.3
163.14771	1.4
165.12679	1.1
169.10075	1.0
169.12239	2.9
173.13216	1.7
173.24619	0.9
177.12758	2.2
178.24088	0.9
179.10602	1.0
187.11076	1.2
191.10674	2.5
193.12154	0.9
195.13832	1.2
209.11665	7.2
219.21098	2.7
237.11235	5.6
237.21994	1.1
247.20576	3.8
255.12373	1.8
257.19034	3.5
265.21637	1.9
275.20078	15.1
293.17871	1.2
293.21091	26.5
294.21414	1.0
311.16498	5.5
311.25809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.97659	4.1
55.01864	14.9
55.05510	40.6
57.03428	17.4
57.06862	3.3
57.07073	35.6
59.05006	4.8
65.03940	3.4
67.05499	65.4
69.03419	10.9
69.07066	52.1
69.74367	3.5
70.06579	5.2
70.37778	9.2
70.38194	9.8
71.04979	26.8
71.08624	5.5
78.79818	4.3
79.05065	4.5
79.05490	57.9
81.03410	5.2
81.07056	72.2
83.04960	19.1
83.08604	15.6
85.06528	14.4
91.05483	35.2
93.07040	65.4
95.04955	15.9
95.08611	49.5
97.06521	23.6
97.10173	26.6
98.21419	4.8
99.08080	5.8
105.07039	42.8
107.04959	7.2
107.08595	54.9
109.06512	14.3
109.10145	26.1
111.04441	14.6
111.08041	23.7
111.11700	5.4
113.05988	3.8
115.07586	4.0
117.07001	15.1
119.08564	31.5
121.06496	3.8
121.10133	49.5
123.08054	13.8
123.11681	10.2
123.46626	3.5
125.05988	5.3
125.09609	17.2
129.06990	5.4
131.08585	24.5
133.10124	28.1
135.08044	8.0
135.11688	9.1
137.06026	4.4
139.11151	24.4
141.09131	4.8
143.08548	7.9
145.10091	23.5
147.08041	5.4
147.11708	18.2
149.02370	18.5
149.09595	22.9
151.11136	4.8
151.78435	3.6
153.05461	20.1
157.10152	6.6
159.11655	11.8
161.09570	4.6
161.13220	7.1
163.11182	14.8
167.10724	5.8
169.10052	6.4
171.11696	13.8
173.13239	15.0
180.75201	3.7
181.12184	7.0
183.11690	4.0
185.13185	9.6
186.49457	4.0
187.14841	9.9
189.11198	10.4
189.12753	4.7
191.10661	12.7
193.04970	39.6
196.62540	8.5
197.13063	4.8
200.20070	5.7
201.16431	4.0
203.12767	33.6
203.14337	6.8
205.15741	5.4
207.13885	9.2
209.11710	75.3
210.12041	6.0
219.17514	7.8
221.15401	10.1
223.16953	4.3
224.65652	10.7
237.11201	76.3
237.18472	5.0
238.11563	4.8
239.17972	6.5
246.50423	3.8
247.20599	4.0
255.12267	14.2
257.19028	15.2
275.16913	4.8
275.20044	100.0
276.20404	4.7
293.17786	9.4
293.21008	40.8
311.24591	87.3
311.74664	32.7
331.33707	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03932	7.1
55.01870	14.0
55.05510	57.2
57.03418	5.4
57.07081	9.5
65.03908	5.9
67.05508	93.1
69.07069	41.2
71.04993	100.0
79.05492	74.4
81.03416	14.6
81.07050	90.0
83.04976	21.4
83.08618	41.2
85.06539	23.8
91.04955	8.2
91.05477	74.9
92.31445	6.7
93.07042	55.5
95.04952	24.3
95.08604	60.5
97.06523	23.5
97.10174	33.9
98.21502	12.1
99.08093	6.4
105.07027	57.3
107.04971	8.6
107.08598	63.0
109.06492	13.4
109.10144	23.3
109.37494	5.3
111.08041	5.9
115.07564	5.2
117.07022	18.4
119.08542	35.5
121.10130	37.8
123.08029	8.0
123.11726	6.1
123.43523	5.5
125.09609	46.6
129.06978	7.0
131.08583	23.9
133.10114	41.5
135.11681	15.9
137.05952	13.0
139.11160	4.8
143.08528	9.3
145.10101	26.1
147.08116	4.9
147.11668	18.1
149.06052	5.7
149.09579	7.0
155.08580	6.8
156.29715	4.9
157.10147	14.0
159.11667	21.3
161.06126	5.5
161.13351	8.8
163.11189	8.1
167.10747	5.6
171.11661	12.2
173.13251	12.6
174.02966	5.0
183.11673	6.4
187.07500	7.5
189.11172	27.6
191.08479	7.4
191.14230	6.3
201.16350	5.6
209.11794	6.3
219.07965	6.0
239.18024	5.3
251.10634	10.1
275.20050	62.0
279.10300	6.9
293.21118	57.8
311.12949	8.8
311.16373	12.7
311.22275	10.7
317.28387	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03936	2.9
53.38787	1.9
55.01872	5.6
55.05267	1.9
55.05512	26.0
57.03434	5.6
57.07077	5.0
59.05009	2.6
63.66398	1.5
67.05505	51.5
68.05832	1.7
69.03444	8.7
69.07066	20.7
71.04993	11.8
71.08630	46.8
71.57738	2.4
71.58093	1.9
79.05495	25.0
81.03418	7.8
81.07052	32.3
82.06606	2.0
83.04982	20.2
83.08631	17.4
85.02898	6.8
85.06526	4.5
87.81239	1.8
90.08012	1.7
91.05478	22.2
93.07037	29.6
95.04967	11.7
95.08605	44.7
97.02850	2.5
97.06534	10.6
97.10174	8.7
99.04491	2.7
99.08099	38.1
100.11248	8.0
105.07022	15.4
107.04964	2.3
107.08603	15.3
109.06531	5.4
109.10154	44.2
111.04431	4.4
111.08076	5.3
113.06049	2.0
117.07011	7.0
119.08587	16.3
121.06466	3.8
121.10135	17.4
123.08058	7.0
123.11658	2.8
125.09633	7.1
127.11199	3.0
129.06978	3.3
131.08563	7.6
133.10133	12.7
135.08066	3.4
135.11687	3.8
137.05975	6.6
137.09644	11.7
139.11186	43.3
141.09085	2.4
141.12729	2.5
143.08537	5.2
145.10100	5.4
147.11720	2.4
149.09630	20.4
149.13257	5.7
151.11179	30.2
155.08658	2.2
155.10687	22.6
157.10149	3.1
159.08112	1.9
159.11658	8.7
161.09662	9.7
163.11237	2.2
163.14853	2.3
165.12729	5.1
167.14394	1.7
171.11662	1.9
173.11780	17.5
173.13165	3.3
177.12770	14.8
179.10641	6.3
181.12332	2.4
187.07486	1.8
189.11273	2.6
191.14365	2.8
195.13756	5.0
197.66122	1.8
209.11723	2.7
219.08061	1.8
229.19441	2.1
236.08211	1.7
237.11150	2.3
238.20816	2.1
247.20811	3.3
251.10692	5.5
257.19052	9.2
265.21735	2.0
275.20035	30.1
276.20074	1.9
283.09564	2.0
293.21124	100.0
294.21417	3.7
296.74731	7.2
297.25003	1.9
310.74503	4.3
311.09253	2.2
311.12668	8.5
311.16174	4.1
311.22177	23.7
311.29321	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.44356	1.2
53.00291	1.2
53.03933	2.1
55.01867	15.5
55.05508	42.0
55.05783	2.3
57.03434	3.0
57.07071	3.4
61.87585	1.2
67.05501	33.3
69.03420	7.3
69.07065	15.4
70.53327	2.3
70.53690	2.9
71.04985	5.5
71.08627	13.3
79.05492	25.2
81.03418	14.1
81.07053	39.7
83.04973	12.2
83.08615	36.5
85.02904	3.0
85.06531	5.0
87.04486	1.5
91.05484	14.6
93.07038	24.0
95.04966	28.3
95.08602	22.5
97.02895	5.0
97.06512	6.5
97.10164	25.2
99.04428	2.5
99.08084	13.6
103.05436	1.5
105.07019	13.8
107.04942	6.3
107.08595	26.5
109.06499	4.8
109.10177	15.2
111.04426	11.2
111.08071	17.1
115.05480	1.6
117.06993	4.3
119.08584	11.6
121.06489	4.3
121.10148	12.6
123.08060	3.6
125.09624	19.9
129.06967	3.8
131.08546	9.7
133.10130	7.8
135.08026	3.7
135.11679	8.1
137.05959	6.0
137.09592	3.4
139.11177	3.8
142.07736	1.6
145.06491	2.0
145.10109	9.4
147.08070	1.8
147.11665	5.6
149.09576	9.0
149.13274	3.8
151.11188	3.4
153.09076	6.4
153.12750	3.4
155.08482	1.6
157.10100	4.6
159.11693	4.4
161.09561	1.4
161.13240	1.9
163.03880	2.0
163.11177	31.8
165.12784	3.4
167.10675	3.1
169.10155	3.0
171.10216	2.5
171.11658	2.5
173.13196	2.8
177.12747	5.0
179.14322	1.4
181.12285	3.8
183.11603	2.0
187.11197	1.8
189.11226	15.5
191.10582	3.0
193.12201	8.0
195.13834	10.2
203.17924	1.4
209.11795	1.6
211.13269	6.9
219.08096	2.9
223.13219	8.7
227.10654	2.0
227.12703	2.1
229.19543	1.9
235.07367	1.4
239.17952	1.6
247.20610	4.2
249.22078	2.9
251.10602	1.8
257.19012	4.5
259.85751	1.2
265.21637	1.9
275.20010	23.7
279.10110	2.2
293.21091	100.0
294.21481	3.7
311.09433	2.0
311.12756	5.4
311.16196	3.1
311.19342	1.9
311.22189	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	311.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
55.05497	5.9
56.96562	2.2
57.03437	4.1
57.07070	1.9
67.05517	10.7
69.03430	1.8
69.07076	8.2
69.31542	8.7
69.31968	9.4
71.04982	7.8
79.05499	14.8
81.07063	25.2
83.04969	6.1
83.08626	4.0
85.06549	17.4
86.06083	1.9
91.05470	16.9
93.07043	22.1
95.04945	5.1
95.08604	12.8
97.02880	7.2
97.06535	11.1
99.04435	2.9
99.22509	1.6
103.03915	2.8
103.05458	1.8
105.07029	36.9
106.77974	1.6
107.04944	2.1
107.08599	23.5
109.06514	5.5
109.10150	6.1
111.08094	3.5
114.05480	1.7
115.05451	4.0
116.24014	1.7
117.07028	13.0
119.08601	13.2
121.06476	5.9
121.10149	4.9
122.03629	4.6
123.04464	1.7
123.08109	4.4
123.11701	5.4
127.03835	1.9
128.06163	2.3
129.07002	7.5
131.08571	36.7
133.06477	6.6
133.10173	11.6
135.08037	4.3
135.11710	4.2
137.05983	57.4
137.09581	2.3
138.05455	3.4
138.06390	1.9
139.07529	2.4
143.08545	5.0
144.05695	2.7
144.09401	2.3
145.06459	3.1
145.10112	18.1
147.11690	10.9
149.05943	4.1
151.07542	2.7
155.04895	2.6
155.08551	5.2
157.10130	8.2
159.08066	7.0
159.11705	31.1
161.05971	7.7
161.13252	2.4
172.05225	1.8
173.09642	5.1
173.13268	43.9
175.07573	3.9
175.11185	3.9
177.09116	1.7
177.12759	20.6
179.08585	2.3
179.56999	1.8
183.11705	5.3
187.07550	18.7
189.12785	3.1
190.07744	11.3
191.08527	24.1
191.14320	52.3
192.08968	2.7
201.12775	32.5
202.08034	2.0
202.13040	2.0
205.06580	3.3
207.08055	4.8
208.08800	4.7
218.07237	7.5
219.08078	42.5
219.13792	40.5
220.08739	3.4
220.14091	2.3
221.06075	3.1
233.09401	2.2
235.07498	5.6
236.08310	9.9
237.09129	3.6
237.14886	4.8
247.07550	16.5
248.07982	2.8
251.10690	49.9
253.08646	2.3
261.09158	2.1
264.07858	5.9
265.08502	3.0
268.07156	2.0
279.07056	2.8
279.10178	43.8
280.10825	6.4
281.07971	5.0
283.13303	2.6
293.17468	100.0
294.17789	4.2
296.10373	6.2
311.02209	2.3
311.09222	5.7
311.12778	47.1
311.18484	12.7
312.08255	1.9
312.13062	4.7
312.18115	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	311.1853
Annotation	(+)-Farformolide B
Peak:m/z	Relative Intensity
55.01860	1.7
55.05510	5.3
57.03446	4.1
65.03928	1.0
67.05235	0.6
67.05512	6.8
69.03417	1.8
69.07080	4.0
71.04997	9.6
71.11610	1.6
75.04473	0.8
77.67381	0.9
79.05071	0.9
79.05493	13.1
80.12116	0.7
81.03442	1.0
81.06592	0.8
81.07058	13.4
82.20364	0.6
83.04977	5.1
83.08614	1.0
85.06082	1.0
85.06552	12.7
91.05482	16.4
93.06476	1.3
93.07051	20.6
95.04977	4.7
95.08611	9.4
97.02892	1.5
97.06532	9.9
99.04452	2.5
101.05994	1.6
103.03934	3.1
103.05449	2.1
105.07037	35.7
107.04945	2.7
107.08595	24.1
109.06467	1.7
109.10146	2.3
111.08077	2.5
113.05984	1.2
115.05495	1.6
117.07025	12.8
119.04962	0.8
119.08592	12.8
121.06531	6.1
121.10137	2.8
123.08076	5.8
127.07530	1.3
128.06303	0.9
129.05481	0.9
129.06993	4.9
131.04951	0.7
131.08572	39.9
133.06456	2.3
133.10136	9.7
135.04451	0.9
135.08066	6.1
135.11646	1.5
135.75966	0.7
137.05948	2.0
137.09651	0.8
139.07542	3.5
141.07005	2.7
142.07773	1.5
143.08566	3.6
144.05637	0.8
144.09416	3.4
145.06451	2.8
145.10130	19.8
146.10452	1.1
147.08009	1.1
147.11682	11.3
149.05994	1.0
149.09618	2.4
149.13231	0.9
151.07538	1.4
153.06976	1.0
153.09160	1.0
155.08556	3.6
157.10130	6.7
158.10873	3.0
159.08072	3.5
159.11697	33.5
160.12073	1.0
161.05972	1.0
161.09645	1.1
163.03935	2.1
163.07536	1.2
163.11221	0.7
163.14885	0.9
168.09329	2.0
169.08720	0.9
171.11716	2.0
173.08215	1.1
173.09653	4.0
173.13269	44.6
174.13629	1.0
175.11154	3.8
177.05525	1.1
177.09204	1.3
177.12758	20.4
183.11656	5.2
187.07574	1.2
189.12721	2.0
191.14317	46.1
192.14653	1.6
201.12753	35.7
202.13049	2.0
207.10239	1.7
219.08110	1.5
219.13811	46.9
220.14198	1.3
237.14777	3.5
247.07570	1.0
251.10721	1.7
279.10141	1.4
293.17471	100.0
294.17834	4.1
311.09125	0.7
311.12714	2.2
311.18552	13.9
321.21548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01862	5.3
55.05514	21.7
55.87152	1.7
57.03436	12.1
57.07061	7.3
59.05001	2.3
59.85602	2.1
63.66575	1.7
65.03954	2.4
67.05509	38.5
69.03425	7.8
69.07072	29.0
71.05005	9.5
71.08624	4.5
71.60329	2.9
71.72399	1.8
76.25937	2.0
79.05494	35.1
81.03422	3.9
81.07059	100.0
82.07376	2.7
83.04969	8.5
83.08617	15.6
84.50152	2.0
85.02901	3.8
85.06546	38.4
91.05483	24.4
93.07046	57.6
95.04977	11.4
95.08611	77.3
97.02905	10.6
97.06527	25.0
97.10161	5.3
99.04453	9.5
99.08091	7.5
101.06017	3.1
105.07039	36.8
107.04978	6.1
107.08603	26.4
109.06529	15.3
109.10159	22.3
111.04440	2.1
111.08091	12.8
111.11708	4.5
115.03925	2.1
115.05523	3.0
117.07010	10.9
119.04954	2.1
119.08584	22.8
121.06519	38.9
121.10165	17.0
122.03751	1.9
123.08105	9.5
123.11708	8.0
125.09618	5.0
125.13285	3.7
127.07533	10.1
129.05466	7.0
129.06966	4.8
130.07741	2.6
131.08585	32.7
133.02870	2.8
133.06514	3.7
133.10158	15.0
135.08038	8.9
135.11667	8.0
137.05988	15.6
137.09633	3.4
137.13255	10.4
139.07587	8.3
141.07005	5.8
142.07698	2.1
143.08571	4.9
144.09337	3.6
145.02823	2.5
145.06503	7.7
145.10172	14.3
147.08084	2.8
147.11734	9.6
149.05983	3.1
149.09662	5.0
149.13287	12.1
155.08589	7.1
157.10141	12.2
158.10959	2.9
159.08029	11.0
159.11693	42.3
161.06018	3.7
161.09604	2.6
161.13249	5.1
163.07486	1.9
163.11212	2.3
163.14870	5.9
165.06921	1.9
168.09366	4.4
169.06459	2.3
169.10135	2.0
171.07953	2.2
171.11658	2.3
173.09653	5.9
173.13266	46.4
175.11241	6.2
177.05484	5.0
177.09117	3.1
177.12744	17.1
179.37547	2.0
183.11696	16.6
187.07570	6.2
191.08557	5.1
191.14275	18.9
201.12764	41.4
209.09647	2.6
215.07164	3.3
215.10655	2.4
219.08101	7.3
219.13797	53.4
225.09276	1.8
227.14703	1.9
235.07588	2.5
236.08221	2.1
237.14842	16.0
247.07645	2.4
251.10773	9.5
257.15375	2.9
264.07635	2.4
265.08627	2.0
275.16437	4.3
279.06857	2.3
279.10031	8.9
283.09659	2.2
293.17441	21.6
293.20596	3.9
293.28482	4.7
311.09229	6.1
311.12787	29.0
311.18619	64.7
311.29337	3.5
312.13144	4.2
312.19241	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	311.1853
Annotation	Cytosporin C
Peak:m/z	Relative Intensity
53.03939	3.5
55.01854	9.0
55.05513	29.9
57.03436	18.8
57.07064	6.4
58.61394	2.4
65.03925	4.9
67.05170	4.4
67.05506	68.0
69.03420	13.0
69.07064	31.1
70.32423	12.4
70.32764	3.1
71.04981	9.9
75.86574	2.7
79.05488	42.3
81.03401	7.7
81.07056	100.0
83.04975	24.6
83.08625	16.8
85.02898	8.6
85.06541	8.4
91.05478	56.1
93.07053	43.9
95.04990	16.5
95.08607	88.0
96.57208	2.6
97.02894	67.5
97.06536	28.3
97.10146	8.0
99.08083	11.5
103.05463	3.1
105.07034	43.5
106.17440	2.9
107.04951	5.8
107.08602	21.6
109.06510	17.2
109.10151	26.7
111.04436	11.1
111.08049	8.3
113.06004	4.5
115.03918	4.8
115.05455	4.4
117.07018	10.3
119.08595	33.6
121.06465	6.8
121.10159	13.7
123.04446	5.2
123.08069	8.9
123.11749	4.2
125.05992	4.8
125.09604	11.4
127.07529	4.8
129.07001	5.8
131.08557	16.8
133.06499	4.7
133.10130	23.3
135.08015	5.9
135.11696	9.6
137.05963	9.6
137.09602	6.5
137.13268	5.9
138.34328	3.2
139.07545	5.1
141.07008	4.7
143.08563	7.9
145.06465	5.4
145.10129	10.9
147.08060	7.7
147.11700	7.7
149.02396	4.4
149.05957	3.3
149.09576	5.5
150.02655	5.1
151.07556	5.8
155.08617	4.7
157.10207	6.8
159.08043	8.3
159.11705	7.8
161.09584	3.2
161.13255	34.2
163.07561	8.3
163.11221	3.6
169.10139	7.2
171.11682	6.5
173.09607	5.7
173.11784	4.4
173.13185	6.7
175.11156	3.9
177.05399	6.5
177.09085	6.3
177.12761	3.0
179.14345	12.6
187.07614	4.0
187.11107	2.8
189.12776	4.6
191.14226	3.6
201.12868	2.6
207.13774	3.7
209.11719	4.2
209.15327	3.7
211.14775	3.1
213.14847	4.5
215.06999	5.3
216.07428	3.0
220.55685	2.6
221.15311	4.1
223.13263	5.9
225.14809	8.2
237.11221	3.4
239.14264	4.9
241.14450	3.3
247.16936	5.4
251.10612	4.1
255.14369	4.4
257.15399	8.9
263.16351	8.9
275.16449	22.6
275.20099	12.4
293.17493	31.2
293.21057	14.1
311.09451	5.8
311.13156	19.0
311.18573	93.8
312.18832	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	311.1853
Annotation	7-O-Demethyl-18-hydroxy-albocycline
Peak:m/z	Relative Intensity
53.03943	2.4
55.01863	6.5
55.05510	27.7
57.03436	15.7
57.07074	2.4
59.04988	2.0
65.03936	2.6
67.05503	61.3
69.03429	16.1
69.07067	27.2
71.04992	14.5
71.59905	1.8
79.05491	37.9
81.03423	5.0
81.07058	96.8
82.07391	2.5
83.04977	17.5
83.08147	1.3
83.08620	19.9
85.02911	8.8
85.06553	8.1
87.04457	2.6
91.05480	39.1
92.05801	1.5
93.07042	39.6
95.04964	14.1
95.08607	93.5
95.73432	0.9
96.08928	2.1
97.02894	68.7
97.05904	1.7
97.06532	25.4
97.10155	6.3
99.04427	2.6
99.08099	5.9
103.05491	1.4
105.07028	36.5
107.04950	3.4
107.08590	18.2
109.06512	14.6
109.10153	22.2
111.04437	6.2
111.08079	6.6
111.11707	1.1
113.06004	1.4
113.09640	3.2
115.03956	7.3
115.05421	2.3
115.61549	1.1
116.98609	1.4
117.07013	10.4
119.04917	2.0
119.08584	36.9
119.67584	1.2
120.08936	1.7
121.06495	7.7
121.10132	12.5
122.33346	1.1
123.04427	3.4
123.08080	12.2
123.11722	2.2
125.05985	3.0
125.09600	2.9
127.07540	2.3
128.06229	1.7
129.06949	5.5
131.04852	1.1
131.08575	14.0
133.02840	1.0
133.06509	6.1
133.09131	1.4
133.10127	19.7
134.10483	1.5
135.08023	6.4
135.11697	12.0
137.05977	10.2
137.09615	7.5
137.13242	6.3
139.07544	7.4
139.11151	1.4
141.07011	2.9
143.08525	7.1
145.06458	3.9
145.10114	7.9
147.04373	2.8
147.08043	5.0
147.11710	6.7
149.05962	2.9
149.09593	4.5
149.13293	5.0
151.07565	3.9
153.06949	1.2
153.09076	2.4
155.08540	4.2
155.10638	1.8
157.10146	4.2
159.08057	5.9
159.11687	9.6
161.06033	1.5
161.09593	3.8
161.13258	30.5
163.07515	5.8
163.11195	2.3
163.14906	1.2
165.09094	2.8
165.12794	1.7
167.07051	2.1
169.10130	3.5
171.08006	1.7
171.11691	4.1
173.06027	1.2
173.09605	3.4
173.11734	5.3
173.13260	4.0
175.07568	1.4
175.11234	2.5
177.05528	2.2
177.09120	4.1
177.12704	5.0
179.08463	1.4
179.14308	16.9
183.11699	2.9
185.13220	2.8
187.07538	2.3
187.11124	1.6
187.14828	2.4
189.09113	1.5
189.12785	2.7
189.16150	1.0
191.08565	2.0
191.10663	2.2
193.95097	1.3
195.13766	2.5
197.09657	1.8
199.14836	2.0
201.12804	2.8
205.12292	1.3
207.13857	2.6
209.15356	4.3
211.11195	1.3
211.14786	3.8
213.13042	1.3
213.14832	5.4
215.10732	1.8
219.08055	2.4
219.13666	1.2
221.15230	2.1
223.13263	3.6
225.14883	7.4
227.14236	2.5
229.15868	1.9
239.14307	4.2
241.14348	1.4
245.15369	1.8
247.07394	1.4
247.16975	6.2
257.15369	10.5
263.16412	8.2
265.17981	1.6
275.16434	24.4
275.19479	1.0
279.10162	3.7
293.12329	1.5
293.17484	33.7
293.20804	2.4
294.17676	1.5
311.09045	3.3
311.12735	11.4
311.18536	100.0
312.13007	1.3
312.18909	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.2
54.13578	0.8
55.01875	3.2
55.05515	4.7
57.03433	6.3
57.07073	0.9
59.05018	1.1
61.02922	1.8
61.26704	0.8
66.38338	0.9
67.05497	7.0
67.08072	0.9
69.03431	29.1
69.07066	3.3
69.35110	9.9
71.03893	0.7
71.04991	3.6
71.34765	0.9
73.02921	2.0
75.04477	2.9
77.03910	1.4
79.05495	23.6
81.03416	23.9
81.07052	8.7
82.07366	0.9
83.04983	2.5
83.08605	1.4
85.02907	17.6
85.06591	1.2
87.04481	2.2
91.05482	20.3
93.07044	100.0
94.07375	0.8
95.04972	6.8
95.08591	4.7
97.02891	8.2
97.06551	1.7
98.20708	1.6
99.04462	3.3
103.03983	1.0
103.05493	2.2
105.04562	1.0
105.07030	13.2
107.04932	6.3
107.08597	18.2
109.02895	9.8
109.06516	2.5
109.10182	1.4
111.04478	1.5
111.08089	3.2
115.03891	1.0
116.06264	2.2
117.07043	2.4
119.04950	0.9
119.08584	32.1
121.06509	3.8
121.10145	91.8
122.03671	1.0
122.10481	1.3
123.08072	2.9
123.11697	1.7
125.06031	1.2
125.09670	1.0
127.03951	6.7
129.07008	1.5
130.67189	1.0
131.08580	12.6
133.06540	1.1
133.10112	5.7
135.08061	1.1
135.11711	1.5
137.05972	6.0
139.11182	1.8
143.08546	1.4
145.04977	2.8
145.06541	0.9
145.10133	2.7
147.08058	1.3
147.11650	1.1
149.09624	31.2
157.10167	1.9
161.06006	2.0
161.09596	1.7
163.11232	1.2
165.12860	1.1
167.10704	10.8
173.13223	1.1
175.07590	2.3
187.07535	1.2
191.08612	2.2
193.10092	0.9
207.11749	1.1
219.08109	3.5
219.13786	1.1
221.09702	1.2
221.39198	0.9
222.06593	1.0
227.06952	1.0
229.12292	1.1
232.88927	1.0
234.06688	0.9
251.10660	3.4
279.10138	3.0
283.15515	1.8
293.13773	9.9
293.20947	1.5
311.09021	1.7
311.12595	5.3
311.15369	3.1
311.27890	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
52.52379	0.7
53.03951	1.0
55.01871	1.2
58.92327	0.6
69.93410	2.9
69.93826	1.9
76.78760	0.6
79.05471	3.3
81.07060	2.2
91.05478	4.9
94.04201	3.5
95.04967	1.0
98.20743	0.8
100.51400	0.7
103.05475	1.4
105.07038	7.1
107.04975	1.9
109.06537	5.6
115.05484	3.2
116.06260	1.1
118.04192	0.7
119.08570	1.0
121.06483	1.8
122.03640	9.3
128.06218	1.9
129.07027	4.0
131.04938	2.1
131.08598	1.6
133.02902	0.8
133.06473	6.4
135.04425	1.2
137.05981	100.0
138.06326	2.8
144.05724	3.4
145.06497	2.4
146.03676	1.3
149.05997	5.9
151.07564	1.3
153.06931	0.8
155.04922	7.2
156.05696	1.5
159.08037	9.7
161.05968	14.2
163.03928	0.8
163.07564	1.5
165.07005	3.0
167.07056	0.9
171.04417	1.0
172.05208	3.0
175.07599	4.1
178.07767	1.1
179.08589	1.2
180.09380	1.5
181.06477	0.8
186.06711	0.8
187.07553	33.8
188.07964	1.7
189.07008	3.8
189.08998	1.2
190.07793	22.1
191.08554	53.3
192.09091	2.1
193.06487	1.3
202.07739	2.3
203.08536	1.8
205.06519	2.8
207.08058	5.1
208.08897	4.6
210.06827	0.9
217.06450	0.7
218.07307	13.7
219.08058	66.8
220.08678	8.0
221.06012	2.2
221.09497	0.8
223.11101	1.7
225.09097	0.9
229.07657	1.1
231.08049	0.9
233.09583	2.7
235.07513	6.7
236.08313	13.5
237.09029	2.2
241.78032	0.7
246.06894	2.0
247.07539	26.3
248.08159	4.3
249.09076	1.4
250.09834	0.9
251.10678	92.4
252.11049	5.7
253.08585	5.9
261.09244	3.9
263.06906	1.6
264.07809	10.1
265.08456	2.6
267.10187	1.2
268.10867	1.4
279.10165	83.8
280.10736	8.7
281.08127	9.4
282.08292	0.9
283.13290	2.7
293.11600	0.7
295.09756	2.3
296.10413	10.8
309.11127	1.4
311.12778	85.7
312.13077	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	311.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.0
54.52314	2.9
55.01874	29.0
55.05513	16.5
57.03421	11.3
61.02906	9.0
65.03933	4.0
67.05500	26.4
68.99796	22.5
69.03429	55.8
69.07056	6.8
71.01341	8.8
71.05009	3.8
71.23609	5.6
71.23954	5.6
73.02903	3.1
76.69912	3.1
79.05061	4.8
79.05490	61.8
81.03415	29.1
81.07055	70.3
83.04980	40.9
83.08597	4.6
84.08134	3.3
85.02911	64.3
87.00839	36.2
87.04471	3.9
91.05482	66.2
93.07042	100.0
95.04967	65.1
95.08613	32.1
97.02882	42.5
97.06519	9.9
99.04449	4.4
103.03954	3.5
103.05443	8.5
105.01851	5.0
105.07020	73.1
107.04951	24.8
107.08591	31.0
109.02875	5.0
109.06516	27.7
109.10136	7.6
111.04427	13.1
111.08075	9.7
113.02335	3.5
115.03924	3.8
115.05439	11.2
117.01876	4.4
117.07030	30.8
119.04889	7.8
119.08582	35.6
119.51768	3.4
121.06506	82.4
121.10138	6.8
123.04440	15.4
123.08057	39.0
125.05966	5.0
127.03922	7.4
128.06213	21.3
129.01851	13.4
129.06985	11.3
131.04912	4.1
131.08568	21.7
133.06485	20.6
133.10115	25.3
135.08049	63.0
135.27948	3.1
137.05974	20.9
137.09596	10.4
139.07559	8.0
143.08545	29.4
145.06430	21.6
146.07227	8.9
147.04417	11.9
147.08070	32.9
148.31668	3.1
149.05960	7.6
149.09557	8.2
151.07524	10.3
159.02899	5.5
159.08047	10.8
161.05986	4.2
161.09596	54.4
163.07535	35.5
165.09099	12.4
165.10385	3.5
171.02928	6.5
171.08031	30.1
177.09100	8.5
179.10710	9.1
189.03926	8.3
189.09111	74.8
207.10156	75.3
225.11211	17.2
275.09091	6.8
293.10248	22.2
294.18835	3.2
296.67801	3.0
311.11237	58.3
311.14655	18.3
311.18088	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	311.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56272	0.5
55.05515	0.6
56.96574	0.5
59.02975	0.4
63.29993	0.4
70.06604	0.7
71.33370	1.1
74.65158	0.4
81.07040	0.5
84.08146	0.7
85.02911	1.2
95.08617	0.5
123.41007	0.5
129.35262	0.5
149.02098	19.5
163.03935	0.6
185.02766	2.4
185.04317	5.9
251.03967	0.6
263.04071	0.7
271.10861	0.5
311.07376	100.0
312.07791	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.8
55.01873	27.6
55.05513	23.3
56.96555	10.9
57.03429	16.4
57.07087	4.0
58.70926	3.4
61.02903	6.6
65.03935	4.5
67.05501	36.7
68.99788	16.5
69.03429	68.2
69.07054	9.4
69.87932	20.0
70.06595	6.6
71.01365	6.4
71.04982	13.8
73.02921	6.9
73.87081	4.0
79.05492	62.6
81.03416	31.2
81.07060	82.8
83.04982	50.6
83.08624	11.4
85.02908	74.2
85.06530	4.0
87.00839	35.1
88.97572	3.7
91.05486	95.1
93.07049	100.0
95.04975	72.2
95.08607	40.5
97.02895	50.2
97.06520	13.9
99.04448	10.8
103.03984	5.5
103.05465	11.6
105.01836	6.0
105.03386	23.4
105.07035	85.9
107.04960	46.5
107.08597	39.5
109.02851	9.5
109.06515	41.3
109.10142	7.8
111.04446	15.7
111.08082	10.8
113.02400	5.9
115.03951	6.4
115.05452	17.3
117.07021	41.9
119.04912	18.2
119.08593	41.4
119.09378	5.7
121.06511	98.4
121.10145	13.6
123.04433	14.3
123.08092	32.7
125.05997	10.3
125.18304	4.2
127.03923	5.8
128.06223	36.4
129.01808	4.0
129.06992	15.0
131.04938	6.0
131.08562	33.0
133.06523	30.1
133.10127	32.4
135.08060	62.8
137.05995	38.4
137.09592	12.8
139.07559	9.0
141.01781	4.9
141.06999	5.7
143.08572	39.3
145.02806	7.0
145.06477	25.3
145.10115	5.5
146.07205	6.2
147.04375	13.5
147.08052	32.5
147.11649	3.9
149.05994	8.8
149.09627	12.8
149.13324	4.2
151.07518	8.8
159.02884	8.7
159.08054	15.2
159.11739	6.7
160.08716	4.0
161.05975	10.1
161.09610	66.7
163.07547	39.4
165.09122	12.7
171.02875	8.6
171.08078	30.0
177.05511	8.5
177.09189	11.5
179.10681	15.0
187.07562	5.4
189.03908	6.4
189.09116	88.7
195.13754	5.5
203.06897	3.8
207.08186	8.0
207.10159	75.7
208.08655	5.0
213.09152	7.2
219.08144	7.2
225.11241	14.0
227.46489	3.5
237.09113	5.7
237.11308	4.2
251.10747	6.6
275.09506	4.0
279.10184	5.6
293.10483	22.0
304.33762	4.2
311.11386	43.1
311.14777	24.1
311.18488	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	310.1497
Annotation	4-O-beta-D-Glucopyranosylfagomine
Peak:m/z	Relative Intensity
55.01855	1.9
57.03424	2.7
57.07075	5.8
59.06114	1.8
60.04516	2.6
60.05655	0.8
60.08154	1.5
61.02917	3.9
62.48463	0.7
67.05505	1.2
69.03431	7.7
69.07071	5.1
70.02948	3.7
70.06581	3.1
71.01340	0.8
71.04987	1.5
71.10530	1.3
72.08141	0.8
73.02910	2.1
73.06543	1.0
74.02438	8.3
74.06066	0.7
81.03400	2.6
81.07073	1.5
81.26484	0.7
84.04527	1.0
84.08144	2.9
85.02904	30.9
86.09692	2.0
88.03988	1.7
91.03941	1.2
91.05503	0.8
93.07045	1.8
95.06087	1.0
97.02882	7.7
97.06554	1.2
98.02370	1.3
98.97587	0.8
99.04445	1.5
100.02191	0.8
101.20391	0.6
102.09177	100.0
103.09488	1.2
107.08585	1.2
109.02873	3.0
110.07192	1.1
121.90591	0.8
127.03906	4.6
129.10202	1.1
133.20865	0.8
136.06212	1.6
142.33395	0.7
145.04968	3.2
146.02705	1.4
148.09682	72.5
163.12538	0.7
165.22903	0.7
178.08691	1.4
189.09038	0.9
202.10764	2.4
246.13512	1.0
274.12769	0.9
292.10779	0.7
292.13770	3.9
292.90588	0.7
301.01929	0.8
310.14127	3.5
310.24985	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01873	1.1
56.96562	1.7
57.03436	11.1
57.07068	1.4
61.02921	1.7
61.62295	0.7
65.03928	1.0
67.05502	2.4
69.03425	4.3
69.07043	1.6
70.06609	0.9
71.05000	4.7
71.08604	0.8
71.59011	1.3
73.02913	1.4
75.04465	0.8
79.03065	0.7
79.05508	1.8
81.03409	1.8
81.07028	1.2
83.04988	1.0
85.02902	12.0
85.06555	0.8
85.10167	3.1
85.61509	0.7
91.03974	1.0
91.05476	4.1
93.07037	3.0
95.04963	0.7
95.08604	36.3
97.02892	4.5
97.06548	1.0
98.97582	3.1
101.29967	0.8
103.05447	4.4
105.03428	0.8
105.07040	1.8
106.07334	0.9
107.08606	0.8
109.02888	1.5
113.09639	18.1
116.98634	3.0
117.58467	0.9
119.04919	1.0
120.08128	1.3
121.06560	1.2
122.03693	0.9
127.03938	2.7
131.04935	10.4
131.10677	100.0
132.05249	1.5
133.06487	1.8
134.99655	1.1
137.05971	11.3
142.77649	0.7
144.05750	0.8
145.04950	3.4
147.04440	1.4
149.01294	0.8
153.12907	0.8
161.05965	5.6
163.03885	3.2
163.07579	3.2
164.19171	0.7
175.07611	1.5
177.00708	2.9
187.07585	2.1
190.07771	1.0
191.08589	3.3
198.20709	0.9
218.07193	1.4
218.15439	0.8
219.08098	3.9
224.09315	0.8
235.07365	0.9
236.08365	1.2
238.08925	0.8
247.07481	0.9
250.09567	1.1
251.10625	4.4
266.08005	1.9
268.11078	1.3
278.09103	1.6
279.10168	4.4
281.08151	1.0
289.12943	1.1
310.11609	4.2
310.20822	1.2
311.05518	1.0
311.12604	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	309.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	43.9
57.07077	37.9
67.05508	42.1
69.07072	80.1
70.14507	14.5
71.08632	26.2
79.05503	9.0
81.06578	5.0
81.07062	89.0
83.08620	55.4
84.08132	2.9
85.06552	11.5
85.10187	9.5
93.07059	4.1
95.08613	100.0
96.08957	3.2
97.10175	36.6
99.71624	2.8
107.08558	5.8
109.10157	48.0
111.11742	24.2
113.09634	5.5
121.10184	3.5
123.11706	23.6
125.13273	11.3
137.13252	7.5
149.13232	3.3
151.14784	7.2
152.07079	2.4
165.16409	6.1
243.79366	3.5
292.30087	9.3
309.25809	3.5
310.30972	16.6
312.99890	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	310.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77495	2.0
56.96563	3.3
57.03446	4.0
57.07068	4.6
60.04520	5.1
61.02911	4.7
64.36926	2.0
67.05503	19.7
69.03432	11.4
69.04556	3.0
69.49557	8.4
69.49984	9.4
70.04074	3.2
70.06592	3.7
71.04997	26.4
73.02925	3.4
76.02238	5.9
78.01804	12.5
81.03454	2.4
81.80771	2.3
83.99204	2.0
84.04519	5.9
84.08129	2.8
85.02901	39.3
85.06545	11.1
87.04478	3.0
91.03957	2.7
95.04971	14.4
97.02901	11.0
98.97616	4.0
99.05617	2.5
107.04962	2.4
109.02882	3.3
113.06006	93.2
116.98645	4.6
117.06607	2.6
118.01229	2.4
120.08105	19.1
127.03902	12.5
131.07045	100.0
145.04939	9.7
145.05959	2.7
147.04408	3.0
163.06015	3.0
164.01741	4.1
166.08635	8.2
177.05482	2.5
181.04405	9.9
182.08667	1.9
185.02956	3.1
201.00760	4.7
203.04028	2.6
219.01778	2.3
226.54366	2.1
237.02806	2.1
294.06790	2.3
311.06149	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
55.01869	2.2
55.05515	30.7
56.34687	1.8
57.03432	8.7
57.07080	29.2
59.05001	2.6
67.05177	2.7
67.05509	44.6
69.03419	4.1
69.07070	55.8
71.04997	17.7
71.08282	2.3
71.08636	21.0
71.61518	2.8
71.61892	2.4
73.02914	2.4
75.04484	7.6
79.05067	2.1
79.05494	27.8
81.03410	4.8
81.07062	98.0
81.35009	1.7
83.04984	11.1
83.08618	34.9
85.02910	59.7
85.06545	5.2
85.10175	9.5
85.67554	2.0
91.05488	17.3
93.07051	45.2
95.04956	7.6
95.08614	100.0
96.08936	3.8
97.02885	5.5
97.06548	5.0
97.10177	20.4
99.04463	2.4
101.06001	2.9
103.05441	1.9
105.07040	30.1
107.08601	28.8
109.06529	7.0
109.09468	2.7
109.10165	49.9
111.04446	4.4
111.08113	10.2
111.11732	11.9
113.06024	2.2
114.24356	1.9
119.08588	20.3
121.10158	27.9
123.08058	7.1
123.11735	36.2
125.09593	3.9
125.13260	6.0
127.03925	3.0
127.07552	4.6
129.05467	15.1
131.08577	5.1
131.74139	1.8
133.10146	18.6
135.11711	20.1
137.09616	7.1
137.13252	14.6
139.11203	3.6
145.04848	1.8
147.04425	12.0
147.06551	7.1
147.11708	24.8
149.13277	17.0
151.11162	3.7
151.14787	7.1
153.12769	4.2
155.10622	3.1
159.11671	2.7
161.13278	16.6
163.14822	10.7
165.12756	7.1
165.16309	2.6
171.11736	2.2
175.14810	6.0
177.05414	4.1
177.16402	6.2
179.14304	3.1
179.17958	5.3
189.16397	5.8
191.17999	4.6
203.17960	5.7
213.23810	2.2
217.19537	6.0
219.82915	2.3
247.24118	2.2
249.25725	2.0
273.25784	27.3
274.25986	3.4
277.08667	2.6
291.19641	2.8
291.26871	25.3
309.11206	6.0
309.27975	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
50.61736	0.9
53.03942	3.1
55.01865	4.1
55.05512	30.6
57.03445	5.1
57.06827	1.3
57.07078	15.8
57.26402	0.9
59.04996	3.6
62.16357	0.9
65.03946	1.4
67.05506	31.9
68.05834	0.9
69.03436	7.1
69.07070	100.0
69.50673	1.4
69.51075	7.3
70.07388	2.9
71.04981	6.6
71.08642	5.8
71.09811	0.9
73.06542	3.9
74.58494	1.1
79.05492	9.6
81.03426	1.9
81.07059	89.0
82.07390	3.3
83.04976	2.7
83.08624	27.4
85.02895	2.9
85.06551	14.1
85.10197	2.1
86.20018	0.9
89.03902	1.3
89.72683	1.0
91.05482	8.9
93.06467	1.8
93.07050	31.6
94.07393	1.5
95.04965	3.9
95.08610	74.6
96.08926	2.1
97.02898	10.0
97.06541	11.1
97.10165	9.4
99.08115	10.3
105.07030	14.0
106.07398	1.3
106.85103	1.0
107.04944	1.6
107.07873	1.6
107.08598	31.4
109.06506	4.3
109.10160	33.9
110.10474	2.1
111.08082	26.1
111.11716	21.7
112.08376	1.2
113.09649	1.9
115.07578	2.0
116.58640	1.0
117.03390	2.9
117.06974	1.6
119.04955	4.6
119.08589	9.0
121.06483	1.1
121.10144	18.2
123.08104	2.8
123.11710	37.7
124.12097	1.2
125.09639	4.9
125.13266	4.7
127.07565	3.3
127.11205	1.7
129.07011	1.5
131.08557	3.6
133.10133	7.3
135.04425	3.8
135.07993	1.1
135.11697	17.6
137.05974	1.4
137.09671	1.6
137.13243	12.4
139.11185	10.9
141.12740	1.1
145.02846	12.0
145.10159	2.2
147.04425	20.4
147.11700	7.8
149.12154	2.0
149.13258	17.7
151.14821	3.4
153.12752	13.1
157.12192	1.4
158.99757	1.0
159.11699	1.6
161.06061	1.1
161.13213	4.8
163.14807	6.5
165.05548	1.0
165.12766	4.1
165.16461	1.3
167.14325	4.6
173.13188	1.0
175.14813	3.1
177.00699	1.6
177.05489	17.4
177.06903	1.8
177.16389	4.1
179.14301	2.3
179.17955	1.2
181.15881	1.3
189.16373	1.7
191.08542	1.0
191.18007	2.2
193.19553	1.3
199.14951	1.2
203.08479	1.0
203.18002	2.5
217.15997	1.1
217.19617	2.2
219.08066	2.6
232.19569	1.0
235.20607	1.4
247.07643	1.1
247.24246	1.2
249.09134	2.8
262.06458	1.1
273.18701	2.4
273.25757	6.7
277.08578	3.6
279.06827	1.1
291.16345	1.3
291.19608	5.4
291.26819	19.3
309.11469	6.2
309.20465	2.1
309.27899	37.9
310.28250	3.0
319.74130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03936	2.8
55.01865	3.5
55.05508	32.6
55.59321	1.1
57.03427	2.8
57.07073	22.0
59.04998	6.4
61.08656	0.9
63.56255	0.8
65.03922	1.7
67.05508	27.4
69.03430	9.3
69.07066	82.0
69.49617	8.6
70.07391	1.2
71.04990	7.9
71.08630	7.6
73.06548	3.6
79.05489	13.3
81.03419	4.0
81.07057	92.9
82.07382	1.4
83.04984	2.5
83.08618	35.5
84.08942	1.7
85.02908	3.6
85.06545	10.9
85.10175	4.0
89.06042	1.4
91.05476	16.9
93.07046	31.8
94.07378	1.0
95.04987	5.3
95.08607	78.2
96.08943	2.3
97.02889	10.4
97.06539	10.5
97.10181	12.0
99.08100	4.9
105.07036	11.7
107.08593	36.8
108.08930	1.2
109.06512	4.5
109.10158	40.4
111.08082	31.1
111.11713	8.1
113.09637	1.8
119.04942	18.6
119.08578	8.9
121.06509	0.9
121.10143	21.4
123.08055	1.4
123.11707	44.9
125.09622	4.2
125.13255	4.3
127.07558	1.2
131.08580	1.1
131.28185	1.1
133.10123	5.4
135.11699	18.2
137.09650	1.3
137.13248	15.7
139.11179	4.4
147.04407	100.0
147.11690	11.2
148.04762	3.9
149.13254	13.9
151.11171	2.0
151.14836	4.2
153.12756	11.2
155.14293	1.8
161.13252	6.9
163.14812	8.2
165.05452	3.6
165.12775	9.0
165.16383	2.0
167.14313	2.5
171.13835	1.5
175.14822	4.7
177.16400	7.0
179.14319	3.1
179.17947	1.7
181.15869	2.3
183.13773	1.6
189.16368	3.0
191.17944	3.9
193.15866	1.6
203.17972	1.4
205.19446	1.1
207.17422	1.5
209.18979	1.4
217.19521	4.5
223.20555	1.0
235.20717	1.2
247.24179	1.4
263.43356	0.9
269.89011	1.0
273.25790	8.8
277.11859	1.1
279.20306	0.9
279.26773	2.7
288.62695	1.0
291.08847	1.7
291.26822	25.9
292.27069	2.6
309.09729	5.0
309.27875	36.3
310.28085	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	Icosadienoic acid
Peak:m/z	Relative Intensity
55.05511	7.4
57.03436	1.9
57.07078	71.7
58.07415	1.0
59.04987	0.8
63.63881	0.8
67.05506	8.7
69.03433	1.1
69.06718	1.2
69.07069	13.8
71.04974	0.7
71.08634	100.0
71.30820	1.3
72.08958	1.7
73.06566	1.3
79.05492	3.2
81.07061	30.2
81.38496	0.7
83.04984	2.1
83.08627	7.5
85.06536	2.2
85.10171	1.1
91.05462	1.7
93.07050	7.6
94.69217	0.8
95.04978	1.9
95.08611	41.5
96.08927	1.5
97.06548	1.4
97.10175	3.7
99.08083	1.3
101.06037	1.4
105.07040	4.7
107.08591	5.4
109.06519	1.4
109.10162	13.0
111.11675	0.8
113.09647	0.7
113.13288	11.2
117.07021	1.2
119.08592	3.8
121.10114	3.7
123.08057	1.9
123.11712	17.3
125.09647	2.1
133.10109	2.4
135.11678	2.5
137.13245	3.6
139.11200	1.2
141.12746	11.3
147.11688	1.7
149.13249	2.3
151.14827	15.9
156.02119	1.2
159.11707	0.8
161.13255	3.5
163.11256	1.1
163.14861	1.9
165.12737	1.4
167.14355	6.3
179.14348	6.6
189.11354	1.5
197.18974	0.9
247.24155	1.0
249.80316	0.7
273.18823	0.8
273.25742	2.1
291.19528	10.8
291.26788	25.7
292.19922	1.0
292.27164	1.8
309.14978	1.4
309.27887	39.9
310.28207	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	309.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49699	5.0
55.05516	28.2
57.07083	8.1
57.28790	5.1
58.45002	4.7
67.05516	26.8
69.07076	36.6
69.40732	49.0
71.08628	12.9
72.04510	12.1
79.05489	16.2
81.07066	64.0
83.08611	14.0
85.06531	6.4
91.05473	11.6
93.07037	34.5
95.04991	5.4
95.08620	47.0
95.98098	4.4
97.06516	8.0
97.10163	7.8
99.08095	21.4
105.07050	12.5
107.08566	33.0
109.06503	5.7
109.10165	47.6
111.08092	6.3
112.44603	4.8
119.08575	13.6
119.11746	4.7
121.10157	20.5
123.11732	25.6
133.10141	7.9
135.11673	11.5
137.13309	10.8
149.13289	28.7
163.14851	49.0
165.12766	14.6
191.18011	9.7
193.15854	6.7
205.19571	19.6
225.28253	5.4
247.24214	6.7
291.23187	16.1
291.26813	40.4
309.24286	100.0
309.29822	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14206	1.8
53.03942	5.4
55.01878	13.3
55.05510	42.1
56.96566	2.6
57.03430	6.6
57.07079	15.0
57.07324	2.2
59.05008	2.3
65.03947	4.1
67.05504	66.7
69.03429	7.3
69.07067	30.1
70.04089	2.3
71.04980	6.2
71.08632	46.5
71.60045	3.8
76.79211	1.9
79.05496	45.0
81.03416	15.9
81.07059	59.3
83.04983	19.3
83.08617	20.2
85.02904	6.3
85.06548	6.3
85.10192	17.5
91.05484	35.8
93.07047	48.8
95.04979	22.9
95.08608	39.0
97.02928	2.6
97.06538	13.2
97.10173	23.2
98.98451	3.6
99.07480	3.1
99.08099	47.7
100.81815	2.0
105.07043	26.3
107.04964	8.9
107.08602	30.9
109.06512	8.9
109.10151	27.0
111.08086	13.0
113.05998	4.1
113.09641	29.5
117.07056	10.5
119.08582	18.6
121.06506	4.8
121.10135	17.9
123.08101	9.6
123.11715	6.0
125.06010	4.2
125.09648	21.7
129.06992	7.3
131.08565	12.0
133.10133	17.0
135.08060	8.9
135.11685	18.8
137.06023	2.0
137.09602	5.7
137.13264	3.3
139.07520	2.8
139.11201	2.8
143.08574	6.7
145.10170	13.5
147.04405	4.2
147.08063	3.9
147.11699	17.1
149.09634	6.4
149.13237	10.0
151.11168	27.4
153.09108	7.8
153.12706	2.3
155.01009	2.8
157.10153	4.8
159.11691	6.5
161.09601	3.2
161.13278	15.7
163.03905	8.8
163.11156	15.9
163.14801	5.5
165.12753	22.2
171.10298	2.5
171.11693	6.4
173.11833	2.4
173.13289	5.4
175.11125	4.1
175.14813	8.1
177.12688	3.1
179.14339	13.0
181.12306	2.7
185.13263	4.3
189.11182	3.5
189.12749	3.4
193.12263	3.1
193.15845	3.7
199.14838	2.4
203.12778	15.2
207.13754	5.6
217.16034	3.4
217.19579	3.0
221.15385	3.4
231.21101	3.9
241.19531	11.5
249.22142	5.8
254.99864	2.2
259.20605	15.4
273.18527	9.5
274.24680	2.1
277.21622	100.0
278.21976	2.3
281.21341	2.6
291.19571	14.8
291.22882	3.9
309.11127	3.7
309.20706	6.8
309.24240	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.33918	2.3
50.47930	2.3
52.54890	2.7
53.03936	4.9
55.01870	10.7
55.05511	23.3
55.54318	2.9
56.44391	2.4
57.03429	5.1
57.07075	3.5
65.03943	3.5
67.05502	52.1
69.03435	4.3
69.07066	72.8
69.47403	19.8
69.47814	5.2
70.04066	2.6
71.04990	7.4
71.08656	5.4
72.85941	2.3
73.29613	2.4
75.05392	2.3
79.05495	37.1
81.03424	5.4
81.07056	100.0
83.04977	9.6
83.08620	12.4
85.06542	6.6
91.05486	27.2
93.07048	43.6
95.04973	6.7
95.08602	53.2
97.06540	15.3
97.10163	7.0
99.08105	11.9
105.07036	22.1
107.08587	32.1
109.06517	10.6
109.10137	16.6
111.04411	6.0
111.08068	6.2
117.07028	5.0
119.08576	25.7
121.10143	32.6
123.08074	9.3
123.11710	9.5
125.05987	3.2
125.09629	27.0
129.06987	5.1
131.08572	10.7
133.10124	14.9
135.11674	28.4
137.05981	22.0
137.09641	3.2
137.13243	3.0
143.08528	4.0
145.10150	8.5
147.11719	21.6
149.09605	3.5
149.13289	11.1
151.11243	4.1
157.10112	3.2
159.11694	6.9
161.09682	3.1
161.13251	15.3
163.11151	6.6
163.14801	4.0
165.09119	3.1
165.12775	8.5
169.29927	2.4
171.11748	5.9
173.13292	4.0
175.11212	4.0
177.12747	4.3
179.14377	5.0
185.13242	5.5
189.12714	7.4
193.12212	17.1
207.13834	3.7
220.43204	2.7
221.15479	3.4
224.04556	2.2
231.17589	4.0
231.21021	2.6
241.19473	4.2
259.20569	7.9
277.18103	12.9
277.21643	52.7
278.21982	3.0
291.19589	5.5
291.23151	10.0
295.19107	4.0
309.14905	4.5
309.20862	4.4
309.24225	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	3.7
55.01870	12.5
55.05510	35.9
56.96555	2.7
57.03431	6.9
57.07068	8.2
59.04980	2.4
66.56272	2.0
67.05501	58.9
69.03446	5.3
69.07070	35.5
69.88516	13.3
70.40395	1.9
71.04991	6.3
71.08633	45.3
75.61057	2.0
79.05497	45.6
81.03419	6.4
81.06579	3.6
81.07056	64.1
83.04971	17.2
83.08624	20.8
85.06555	8.9
85.10210	2.3
86.09718	4.7
91.05483	36.4
93.07042	61.7
95.04948	22.0
95.08611	49.6
97.06538	13.9
97.09625	2.2
97.10151	12.8
98.06059	3.1
99.08097	39.7
104.10753	4.2
105.07028	30.3
106.42538	2.1
107.04955	4.3
107.08598	29.2
109.06530	8.9
109.10167	22.1
111.08067	10.5
112.99095	2.3
113.09650	3.9
117.07019	8.2
117.17265	2.2
119.08570	26.2
121.06503	3.7
121.10143	23.4
123.08041	5.9
123.11717	8.0
125.09644	10.0
128.06248	2.8
129.07024	7.9
131.00150	3.1
131.08591	11.2
133.10112	18.9
135.08032	2.4
135.11670	17.2
137.09599	4.0
137.13257	3.9
138.52968	9.8
139.07573	6.4
139.11180	13.0
142.15399	2.1
143.08577	5.8
145.10130	13.3
147.11728	14.5
147.53506	2.6
149.09596	2.7
149.13287	12.0
151.11182	19.8
153.09039	2.9
153.12741	3.6
157.08887	2.0
157.10118	10.7
157.53764	7.9
159.11710	8.9
161.09656	2.8
161.13263	17.7
162.05424	2.0
163.11198	15.5
163.14841	3.5
165.12700	10.9
169.04504	3.4
171.11694	7.0
173.13295	2.8
175.11183	4.6
175.14865	11.7
177.12761	2.7
179.14301	8.6
184.07315	5.6
185.13210	5.6
189.12691	2.8
191.14285	2.9
193.12234	4.8
193.15959	4.0
198.96957	2.7
199.14812	3.7
203.12811	4.0
207.13762	2.6
215.18063	3.5
217.19443	3.2
221.15392	4.1
231.21111	6.1
241.19485	11.4
249.22203	4.7
259.20615	18.0
267.64709	7.0
276.65314	8.1
277.21613	100.0
278.21994	2.8
291.13986	2.9
291.23264	12.3
295.22534	2.7
297.16595	5.3
309.14911	6.3
309.24252	32.7
309.29745	42.8
309.33295	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	1.9
55.05508	24.1
57.03431	3.6
67.05502	53.8
69.07066	19.9
69.94599	4.9
69.95008	3.9
71.04971	2.8
71.08633	1.8
79.05490	42.1
81.07050	57.0
83.04959	4.9
83.08612	60.8
85.02904	2.7
85.06533	5.9
91.05472	18.7
93.07036	51.4
95.04949	3.8
95.08595	34.8
97.06515	7.1
97.10168	5.9
99.08091	4.9
105.07029	14.3
107.08592	25.7
109.06481	2.6
109.10143	13.2
111.08074	14.3
111.08782	1.9
117.07028	4.8
119.08577	13.9
121.10136	87.4
123.08042	4.7
123.11696	3.9
125.09626	5.1
131.08556	9.9
133.10118	14.9
135.11682	54.5
137.09610	6.9
139.11172	3.8
141.18375	1.6
145.10120	11.7
147.11688	16.9
149.09615	4.8
149.13261	13.6
151.11182	5.6
155.10638	2.0
157.10143	2.1
159.10510	2.0
159.11682	10.3
161.13243	11.4
163.11160	9.3
164.40724	2.0
165.12782	3.3
171.11694	1.7
172.27777	1.5
175.14864	3.4
177.12750	4.2
179.14325	2.9
181.12193	3.2
185.13249	3.8
186.05797	1.7
195.13879	4.4
207.13893	1.8
241.19522	16.8
259.20645	15.1
277.21619	100.0
278.22012	2.4
290.80310	1.6
291.19785	2.6
291.23166	25.1
309.24155	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	12.1
55.01658	4.0
55.01875	41.1
55.05514	36.5
57.03437	6.1
57.07073	8.9
59.04992	5.3
67.05167	5.7
67.05504	71.8
69.03423	5.3
69.07066	25.6
71.04984	3.6
71.08623	4.8
79.05495	39.6
81.03418	35.7
81.07060	79.1
83.04974	25.6
83.08619	28.7
85.02916	4.0
85.06548	3.7
90.33054	3.4
91.05473	23.0
93.07038	59.0
95.04966	24.4
95.08604	62.0
96.27400	3.1
97.06523	5.7
97.10162	10.4
97.28619	3.4
99.08073	4.3
105.07024	26.5
107.08597	39.7
109.06540	8.1
109.10160	41.6
111.08076	7.9
117.07039	4.8
119.08578	21.5
121.06494	2.9
121.10140	31.7
123.08095	8.2
123.11710	22.7
125.09616	7.6
129.07080	4.6
131.08583	5.7
133.10124	13.1
135.08032	9.7
135.11697	25.9
137.06029	6.9
137.09599	4.5
137.13266	4.9
139.11180	3.8
143.08536	3.8
145.10178	6.4
147.04396	5.3
147.11678	20.2
149.13266	8.6
153.09105	8.0
153.12759	9.4
157.10040	3.9
159.11681	4.5
161.09587	5.4
161.13272	14.3
163.11172	8.0
163.14836	7.2
165.12802	28.5
171.11708	3.8
175.14838	8.1
177.12730	3.5
179.14339	7.8
181.12241	10.6
185.13281	7.2
203.14284	5.3
207.13832	6.7
221.15331	23.2
255.21028	5.7
263.23694	7.5
273.19205	3.4
273.22214	13.6
285.67059	3.9
291.19873	7.4
291.23181	100.0
309.14804	17.3
309.32654	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01870	12.5
55.05510	35.9
56.96555	2.7
57.03431	6.9
57.07068	8.2
59.04980	2.4
66.56272	2.0
67.05501	58.9
69.03446	5.3
69.07070	35.5
69.88516	13.3
70.40395	1.9
71.04991	6.3
71.08633	45.3
75.61057	2.0
79.05497	45.6
81.03419	6.4
81.06579	3.6
81.07056	64.1
83.04971	17.2
83.08624	20.8
85.06555	8.9
85.10210	2.3
86.09718	4.7
91.05483	36.4
93.07042	61.7
95.04948	22.0
95.08611	49.6
97.06538	13.9
97.09625	2.2
97.10151	12.8
98.06059	3.1
99.08097	39.7
104.10753	4.2
105.07028	30.3
106.42538	2.1
107.04955	4.3
107.08598	29.2
109.06530	8.9
109.10167	22.1
111.08067	10.5
112.99095	2.3
113.09650	3.9
117.07019	8.2
117.17265	2.2
119.08570	26.2
121.06503	3.7
121.10143	23.4
123.08041	5.9
123.11717	8.0
125.09644	10.0
128.06248	2.8
129.07024	7.9
131.00150	3.1
131.08591	11.2
133.10112	18.9
135.08032	2.4
135.11670	17.2
137.09599	4.0
137.13257	3.9
138.52968	9.8
139.07573	6.4
139.11180	13.0
142.15399	2.1
143.08577	5.8
145.10130	13.3
147.11728	14.5
147.53506	2.6
149.09596	2.7
149.13287	12.0
151.11182	19.8
153.09039	2.9
153.12741	3.6
157.08887	2.0
157.10118	10.7
157.53764	7.9
159.11710	8.9
161.09656	2.8
161.13263	17.7
162.05424	2.0
163.11198	15.5
163.14841	3.5
165.12700	10.9
169.04504	3.4
171.11694	7.0
173.13295	2.8
175.11183	4.6
175.14865	11.7
177.12761	2.7
179.14301	8.6
184.07315	5.6
185.13210	5.6
189.12691	2.8
191.14285	2.9
193.12234	4.8
193.15959	4.0
198.96957	2.7
199.14812	3.7
203.12811	4.0
207.13762	2.6
215.18063	3.5
217.19443	3.2
221.15392	4.1
231.21111	6.1
241.19485	11.4
249.22203	4.7
259.20615	18.0
267.64709	7.0
276.65314	8.1
277.21613	100.0
278.21994	2.8
291.13986	2.9
291.23264	12.3
295.22534	2.7
297.16595	5.3
309.14911	6.3
309.24252	32.7
309.29745	42.8
309.33295	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	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01866	9.6
55.05264	4.3
55.05510	52.8
57.03431	3.8
57.07068	11.7
67.05505	90.2
69.03415	3.5
69.07067	38.6
70.14968	4.1
70.15383	8.1
71.04988	5.0
71.08636	33.2
79.05497	46.6
81.03423	6.8
81.07056	72.1
83.04981	13.0
83.08615	23.5
85.06543	5.9
91.05480	30.2
93.07043	64.7
95.04960	18.4
95.08601	52.8
97.06523	11.0
97.10165	25.6
98.06039	9.3
99.08085	24.0
105.07040	29.3
107.04957	3.6
107.08602	34.3
109.06494	7.2
109.10165	21.1
111.08068	11.5
111.55132	2.7
113.09660	3.3
117.07000	6.3
119.08591	22.4
120.24947	2.4
121.06471	3.3
121.10145	27.5
123.08096	5.8
123.11684	8.0
125.09622	21.0
129.06972	6.2
131.08577	9.2
133.10136	20.2
135.08052	7.1
135.11707	23.3
137.09560	6.3
137.13246	3.1
139.07518	3.0
139.11174	11.5
141.12659	2.8
143.08566	4.2
145.10135	8.4
147.11707	18.3
149.09583	3.7
149.13322	13.7
151.11208	20.0
157.10115	7.6
159.11707	6.7
161.13312	14.0
163.11221	8.4
163.14777	3.8
165.12758	8.6
171.11688	8.5
173.13254	4.8
175.11302	2.9
175.14818	9.0
179.14317	9.5
185.13235	6.2
189.12823	3.5
191.55717	3.0
193.12204	3.0
193.15845	5.4
203.12767	12.0
207.13635	3.1
221.15300	4.3
231.21133	5.0
241.19519	10.0
247.58005	2.5
249.22128	5.0
259.20602	16.1
277.21625	97.8
278.21976	4.0
291.19922	4.1
291.23184	9.4
295.22644	4.4
309.14816	6.4
309.18329	2.6
309.24438	27.7
309.29816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.51898	2.4
53.03951	4.9
55.05518	17.5
57.03442	10.6
57.07085	20.9
65.03927	3.0
67.05508	44.8
69.07076	19.4
71.04977	3.1
71.08632	41.0
71.60687	4.0
79.05498	35.9
81.03377	2.9
81.07064	52.5
83.04986	10.4
83.08633	9.2
85.06553	9.8
91.05473	21.2
93.07052	57.0
95.04977	10.5
95.08614	38.3
97.06559	8.5
97.10165	8.1
99.08098	37.2
105.07051	18.8
107.04975	6.9
107.08588	32.3
109.06534	2.8
109.10195	18.7
111.08141	3.6
113.09637	3.5
113.79896	2.3
117.07042	3.9
119.08591	21.1
121.10150	30.8
123.08054	4.4
123.11674	5.4
125.09653	3.4
131.08588	6.7
133.10156	12.5
135.08061	3.2
135.11716	29.9
137.09613	4.3
143.08578	2.9
145.10167	8.2
147.04413	4.8
147.11679	6.8
149.13251	10.2
151.11220	14.7
157.10162	5.0
159.11816	5.3
161.13263	12.7
163.11157	6.4
163.14874	3.0
165.12773	2.8
171.11740	5.4
173.13348	3.9
175.15004	3.2
179.14319	100.0
181.04994	2.9
181.12314	2.7
187.14841	4.1
193.86307	2.7
196.76768	2.5
207.06436	6.7
207.13725	3.5
221.15314	4.1
221.18974	4.2
235.16991	3.2
241.19640	4.8
259.20618	8.7
277.10687	5.8
277.21643	65.8
278.21976	3.0
291.23251	5.7
309.14920	4.8
309.24377	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	3.0
55.01874	14.3
55.05509	39.5
57.03437	10.4
57.07064	3.2
59.05000	1.3
65.03934	2.1
67.05502	62.9
68.05819	1.4
69.03436	3.6
69.07067	56.6
69.32742	9.0
69.33165	4.3
71.04991	18.2
73.06548	1.8
79.05489	55.4
81.03418	3.5
81.07053	100.0
83.04980	7.6
83.08618	17.3
85.02909	1.7
85.06533	17.2
91.04902	1.4
91.05473	35.9
93.07037	54.7
93.07631	2.9
95.04977	8.3
95.08600	56.8
97.02872	1.5
97.06527	18.0
97.10161	15.7
99.08086	18.9
103.05486	1.6
105.07022	26.8
107.04961	6.9
107.08588	38.0
107.09293	2.5
109.06496	11.3
109.10156	18.2
110.67255	1.2
111.08076	8.7
113.09665	1.4
114.45544	1.3
115.07568	1.9
116.83499	1.4
117.03385	1.8
117.07018	14.3
119.08578	28.2
121.06507	3.9
121.10138	50.8
123.08048	10.1
123.11710	5.3
125.05979	1.4
125.09623	30.5
128.06219	1.6
129.07010	5.9
131.08549	13.8
133.10127	16.2
135.08025	4.8
135.11693	42.3
137.09631	4.9
137.13182	1.8
139.11189	3.7
143.08522	7.3
145.02829	1.8
145.10126	13.2
146.05966	2.2
147.08083	7.4
147.11687	22.0
149.09641	5.8
149.13234	12.6
151.11198	2.7
153.12712	1.4
157.10139	3.6
159.11661	12.2
161.09592	3.0
161.13232	10.8
163.11208	6.2
163.14812	5.0
165.09135	1.3
165.12781	4.8
171.11665	8.9
173.09746	1.4
173.11908	1.8
173.13225	7.3
175.11179	1.7
175.14844	4.3
177.05467	1.7
177.12753	4.5
179.14334	2.5
181.12259	2.0
185.13304	4.2
189.11171	4.1
189.12796	5.1
189.16458	2.2
191.14368	2.5
195.13821	3.2
199.14845	3.3
201.12836	1.7
207.13863	2.2
209.15298	1.9
217.15996	2.6
219.13832	1.6
221.15465	3.2
223.13335	1.7
231.21127	3.0
235.16948	2.3
241.19543	6.2
249.14864	1.5
259.20596	13.7
273.18527	14.7
277.21609	46.9
291.16473	2.5
291.19571	30.3
291.23178	14.6
309.20523	4.6
309.24200	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01857	3.7
55.05515	15.9
57.03419	5.3
57.07072	2.8
65.03938	2.8
67.05508	26.8
69.07066	17.5
71.04993	2.4
71.60349	2.0
79.05492	25.9
81.03409	3.6
81.07056	43.1
83.04980	3.2
83.08620	6.9
85.02909	2.1
91.05486	38.8
93.07045	75.1
95.04971	53.6
95.08605	34.6
97.06532	21.0
102.40374	1.3
103.05438	3.2
105.04520	2.1
105.07034	74.9
107.02641	1.5
107.04955	2.7
107.08597	34.1
109.06534	12.1
109.10155	16.6
115.05462	4.5
116.06212	1.3
117.07024	17.9
119.08585	58.1
121.06531	9.0
121.10146	100.0
122.10427	1.8
123.08083	11.0
123.11707	5.9
126.49165	1.4
128.06224	7.1
129.07018	12.8
129.19739	1.3
130.07774	6.2
131.08575	33.8
133.06497	3.0
133.10129	40.8
135.08061	3.9
135.11691	10.7
136.50726	1.7
137.09587	2.1
141.06976	4.2
142.07767	12.0
143.08577	26.7
144.09344	6.6
145.06496	3.9
145.10123	48.1
145.11284	2.4
147.08012	5.0
147.11690	11.0
149.09622	3.2
149.13260	2.3
151.11177	1.5
153.07019	2.4
154.07727	2.1
155.08565	7.8
156.09322	9.9
157.10132	32.0
158.10904	2.1
159.08032	3.0
159.11685	36.8
161.09618	7.9
161.13274	5.7
163.11160	2.2
166.07777	2.2
167.08542	2.2
168.09270	2.3
169.10150	15.6
170.10844	4.7
171.11714	18.2
173.09621	5.0
173.13269	17.3
175.11145	2.5
175.14751	7.2
178.07712	1.6
179.08611	3.1
181.10118	4.8
182.10901	3.8
183.11694	11.6
184.12563	2.4
185.13226	11.3
186.10515	1.5
187.11195	13.5
187.14847	18.6
188.11891	1.8
189.12737	3.3
192.09401	2.3
193.10129	4.0
194.10896	2.7
195.11659	7.2
196.08670	1.3
196.12415	2.8
197.13297	10.1
199.11200	2.9
199.14821	11.2
200.15508	2.0
201.12680	2.2
201.16370	2.8
207.11664	3.6
209.13318	5.3
211.14792	7.4
213.16394	3.6
215.14336	3.4
220.12444	2.0
221.13295	4.8
223.14822	4.3
225.12738	1.9
225.16441	4.7
227.14326	1.8
229.16101	1.9
235.14861	4.7
239.18054	3.3
240.18692	2.2
247.14764	1.5
249.16466	3.5
253.15927	4.9
253.19452	2.7
263.97751	1.4
265.19473	2.1
281.22723	5.8
291.21152	8.8
309.14905	3.8
309.22131	63.4
310.22665	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03935	3.9
55.05506	13.7
57.03419	8.0
57.07068	4.5
65.03925	3.2
67.05502	24.3
69.07077	18.6
70.09458	5.8
70.09885	9.8
71.08596	3.4
79.05489	21.3
81.03398	2.8
81.07058	36.1
81.82986	2.6
83.04962	4.0
83.08635	4.0
91.05483	34.8
91.10171	2.5
92.29803	2.3
93.07043	52.6
95.04974	41.4
95.08607	41.0
97.06539	22.1
97.15221	2.6
103.05474	3.0
105.06390	4.6
105.07037	62.4
107.08598	30.0
109.06496	11.7
109.10181	21.5
115.05515	3.6
117.07030	14.3
119.08579	48.1
121.06497	6.3
121.09315	5.1
121.10151	77.7
123.08031	8.0
123.11716	7.0
128.06238	5.7
129.07010	16.0
130.07796	6.8
131.08575	26.3
133.07591	3.5
133.10139	33.4
135.08009	5.3
135.11710	15.1
138.94885	2.8
141.07022	5.4
142.07764	8.3
143.08539	21.3
144.09390	5.0
145.10124	43.7
147.08109	4.1
147.11694	10.5
149.09601	4.2
149.13245	3.0
155.08556	6.2
156.09372	7.3
157.10132	25.8
158.10907	4.2
159.08051	5.4
159.11716	35.2
161.09637	6.6
161.13251	6.9
167.08603	3.0
169.10107	19.0
170.10904	4.8
171.11684	17.2
173.09714	2.8
173.13246	20.4
175.11113	4.4
175.14810	7.7
178.75043	2.6
181.10153	4.8
182.10884	3.5
183.11729	12.5
184.12482	3.5
185.13261	9.7
187.11191	11.1
187.14835	22.9
189.12656	4.5
194.10878	3.4
195.11653	9.1
197.13254	15.8
199.14853	8.2
200.15634	2.7
201.12744	4.7
207.11588	6.0
209.13242	11.0
211.11092	4.0
211.14838	10.4
213.16353	4.8
215.14197	2.9
221.13219	3.8
223.14771	7.2
225.16365	7.4
227.14301	3.1
235.14772	8.5
236.40562	2.9
239.17889	7.0
249.16339	5.1
253.15851	6.7
253.19649	3.9
259.67831	2.7
265.19482	3.2
281.22754	6.9
291.21011	15.9
309.22110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	3.1
55.01859	2.1
55.05265	2.9
55.05512	47.9
57.03426	3.5
57.07067	4.4
57.32358	1.8
59.05020	1.9
60.81627	1.6
67.05518	10.9
69.03410	3.0
69.07060	12.1
69.37085	1.8
70.10670	10.5
71.04986	5.9
71.08608	2.5
73.99489	2.0
76.78440	1.8
79.05495	10.5
81.07053	22.3
83.04982	100.0
83.08611	6.7
85.06541	3.3
91.05469	12.7
93.07042	19.8
95.04974	36.5
95.08596	15.2
97.06522	8.2
99.04448	6.2
101.06014	2.4
105.07030	33.0
106.06525	1.8
107.08596	36.5
109.06535	14.0
109.10159	12.9
111.08067	3.2
117.07037	3.5
119.08575	20.8
121.06528	2.8
121.10139	30.8
123.08077	16.1
123.11733	16.7
129.07011	3.6
130.07831	2.2
131.08565	19.5
133.10132	93.7
134.10425	2.4
135.08057	11.6
135.11665	7.9
136.08456	2.0
138.44765	1.8
143.08527	3.8
145.10129	12.6
147.04370	2.3
147.11678	16.3
149.13275	18.4
151.11234	2.3
153.09067	8.6
158.10912	8.7
159.11551	2.1
163.11095	3.8
163.14835	6.2
165.00526	1.9
165.12775	8.0
173.13264	61.9
174.13602	3.0
175.14920	2.1
191.14310	51.3
192.14783	2.8
209.15443	4.6
283.79416	2.1
291.19595	4.2
309.20770	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03956	1.4
55.01869	5.1
55.05513	24.0
57.03443	1.2
57.07078	16.5
67.05510	12.5
69.03431	3.8
69.07071	15.3
69.82364	3.3
69.82804	2.5
71.04997	1.1
71.08640	17.3
79.05504	10.0
81.07059	20.8
83.04981	5.8
83.08633	11.2
85.02866	1.1
85.06586	1.7
87.41825	0.8
91.05483	8.6
92.05289	0.8
93.07053	12.1
95.01322	1.4
95.04991	5.4
95.08611	17.7
97.02904	1.3
97.06530	1.4
97.10176	15.5
98.21469	1.6
99.08085	1.5
100.49942	0.9
105.07023	9.2
106.01943	1.1
107.04990	1.5
107.08609	8.0
109.06520	1.7
109.10162	6.6
111.04481	1.3
111.08105	1.3
113.13284	1.3
117.07046	3.5
119.04972	1.1
119.08581	7.8
121.06528	1.9
121.10142	4.3
123.08101	6.2
123.11684	4.6
125.09636	10.8
125.52768	1.0
129.07031	2.6
131.08568	3.5
133.06522	2.4
133.10144	3.7
135.08078	1.9
135.11713	2.1
137.09630	1.8
137.13242	2.4
139.11177	1.1
141.12770	2.0
143.08575	2.6
144.61052	0.8
145.10121	2.3
145.62523	0.8
147.08089	2.0
147.11694	4.5
149.09615	1.4
149.13284	1.8
151.11212	1.1
151.14853	4.4
153.09143	1.7
157.10130	1.5
161.09595	1.8
161.13249	0.8
161.57402	0.8
162.10562	1.1
163.11241	1.7
165.09093	2.6
167.14357	1.5
169.12392	1.1
173.13327	1.4
175.11211	1.3
179.14380	1.2
185.09711	0.9
189.11279	9.0
189.12785	1.4
191.14343	1.3
221.11768	1.0
223.13269	5.0
249.15024	2.1
255.17569	1.4
265.18100	1.1
273.18451	8.7
291.19562	100.0
291.26456	7.4
292.19974	4.5
309.20612	4.2
309.27814	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	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03938	10.8
53.86398	1.3
55.01880	10.0
55.05511	15.8
57.03434	20.2
57.07074	2.0
61.02913	1.6
61.91157	1.3
65.03920	2.1
67.05168	3.1
67.05502	38.1
69.03428	7.7
69.07071	12.3
69.64015	4.3
69.64439	7.1
71.04992	28.3
72.05321	1.9
73.02891	2.3
75.04498	8.5
79.05063	2.5
79.05492	38.6
80.05827	1.6
81.03419	27.4
81.07054	100.0
82.00674	1.3
82.03719	2.2
82.07408	1.8
83.04984	15.4
83.08615	8.1
85.02901	63.7
85.06535	3.9
87.04486	1.6
88.38022	1.4
89.03902	1.9
91.05477	24.0
93.07039	29.4
95.04976	18.4
95.08601	31.8
97.02885	10.6
97.06528	17.0
97.10139	4.0
99.04439	5.8
99.08070	5.8
101.05983	2.1
105.07026	19.8
106.07340	1.6
107.04957	13.7
107.08592	25.0
109.02831	2.2
109.06513	71.3
109.10138	11.9
110.06870	1.8
111.04445	27.3
111.08071	3.8
113.06005	2.8
117.07004	9.8
119.04930	5.1
119.08569	17.9
121.06481	6.9
121.10118	11.8
123.04439	2.2
123.08049	15.1
123.11713	3.7
125.05964	2.5
125.09610	3.3
127.03955	4.4
129.05481	13.2
129.07005	4.6
130.06554	4.0
131.08565	14.4
133.06476	4.0
133.10155	11.6
135.04430	4.5
135.08047	16.9
135.11694	11.8
137.09645	5.1
139.11227	2.1
141.06940	1.8
143.08546	5.1
145.02853	6.9
145.04948	3.0
145.06480	4.3
145.10066	11.1
147.04430	12.3
147.06483	9.5
147.08046	4.1
147.11661	4.7
149.02347	3.6
149.09628	6.2
149.13295	5.4
151.11192	4.7
153.09097	6.4
155.08537	2.0
157.10120	7.6
159.08009	2.3
159.11682	11.1
161.09615	3.8
163.03912	15.4
163.11124	3.3
167.10631	2.3
169.10095	4.1
171.11682	3.9
173.13232	2.1
175.11208	3.5
177.05502	9.0
177.12738	6.3
187.11214	6.7
187.14807	3.1
188.11594	1.5
192.06560	4.0
195.13794	4.3
199.14851	3.8
201.12791	2.5
203.14398	2.6
205.12268	3.9
208.37625	1.5
217.15840	11.4
219.13808	3.6
221.15381	2.3
223.13284	3.0
227.17940	3.1
233.15305	2.6
235.16953	2.8
239.06917	1.5
241.14380	5.0
245.19003	3.9
251.16344	1.7
255.17450	3.4
263.20047	4.4
265.62283	1.8
273.18500	22.2
277.08823	2.2
286.49582	1.6
291.19528	79.0
292.19788	4.9
304.45459	1.6
309.11996	6.3
309.20560	35.2
309.24289	2.2
309.25748	2.9
316.30640	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.37752	3.9
53.03940	10.5
55.01860	15.4
55.05516	38.0
57.03407	7.5
57.07081	30.8
67.05165	6.8
67.05506	77.3
69.03439	7.3
69.07072	29.2
70.76004	13.7
71.04981	11.2
71.08642	23.5
72.04501	4.5
73.02917	3.7
79.05492	46.9
81.03410	18.6
81.07058	90.1
83.04983	24.0
83.08624	15.1
85.02914	6.3
85.06537	8.8
91.05485	62.0
93.07047	62.2
94.55675	3.5
95.04977	22.0
95.08611	100.0
97.02903	3.7
97.06535	13.9
97.10168	11.2
105.07037	51.1
107.04942	18.4
107.08600	45.5
108.05376	3.6
109.06509	17.8
109.10164	59.7
110.10503	3.8
111.04471	5.3
111.08064	7.8
113.06057	5.9
117.07016	16.0
119.04944	4.4
119.08569	32.8
121.06520	10.1
121.10149	24.5
123.04430	4.5
123.08072	36.4
123.11733	14.8
125.09630	7.2
129.07004	8.2
131.08577	20.2
133.02824	7.5
133.06502	8.5
133.10135	73.3
135.04422	15.5
135.08060	13.9
135.11690	9.3
137.06024	4.9
137.09587	11.7
139.07536	5.2
141.06937	4.1
143.08554	7.3
145.10133	17.4
147.04420	14.7
147.08051	6.9
147.11697	11.3
149.09627	11.9
151.11217	45.1
153.66563	4.1
157.10132	9.3
159.08069	5.1
159.11685	9.2
161.09610	18.0
161.79033	4.8
163.11104	6.6
163.14841	5.2
165.09160	7.8
169.10091	4.5
169.12277	7.6
171.11684	8.0
173.09593	4.7
173.13217	5.3
175.11299	9.7
177.09035	4.8
179.10687	4.6
185.13264	4.6
189.12701	5.8
191.08498	7.5
199.11240	5.4
199.14888	5.4
208.86476	4.2
219.08026	15.8
245.19037	13.4
249.09171	11.1
255.17351	10.0
263.20135	9.8
273.18433	43.7
275.96066	4.8
277.08554	9.2
281.14923	4.1
291.19519	63.9
291.22586	7.4
309.11093	11.7
309.14719	11.6
309.20538	22.5
309.28085	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03923	3.7
55.01865	6.2
55.05305	2.7
55.05518	31.5
56.96557	4.3
57.03424	4.8
57.07071	5.1
59.05003	2.8
60.67356	2.6
67.05218	3.4
67.05507	29.0
69.03428	5.8
69.07078	17.7
70.04072	6.6
70.10461	8.6
70.10880	4.9
70.31104	2.4
71.04973	6.4
71.08600	3.0
79.05499	21.2
81.03413	7.1
81.07052	40.5
83.04962	12.1
83.08614	22.2
85.02886	3.4
85.06533	4.0
91.05484	16.5
93.07042	29.2
95.04952	7.1
95.08612	27.7
97.02890	4.8
97.06524	7.3
97.10168	18.6
98.98477	2.9
99.08107	2.7
105.07030	15.2
107.04929	9.0
107.08578	15.5
109.06512	6.4
109.10155	17.5
111.04412	3.9
111.08042	3.7
117.06992	5.1
119.08624	15.3
121.10140	11.7
123.08067	11.7
123.11614	3.1
125.09628	15.1
129.06999	3.7
131.08575	9.1
133.06490	3.8
133.10144	15.3
135.08057	6.9
135.11671	3.1
137.09637	6.6
139.11169	3.5
143.08524	4.2
145.10101	5.8
147.07999	4.4
147.11711	6.6
149.09612	3.2
151.11130	5.0
153.09071	3.5
155.01085	3.1
157.10168	4.7
159.11595	4.4
165.09111	2.8
171.11729	4.7
173.13292	3.1
175.11166	5.4
189.11211	14.1
210.43115	2.9
223.13351	5.9
245.19247	3.7
249.14801	3.9
263.19971	3.5
273.18436	17.7
291.19565	100.0
292.19937	6.2
309.20734	9.4
309.24234	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03940	3.2
55.01873	10.3
55.05510	33.4
57.03436	27.2
58.03985	1.3
59.04981	3.3
65.03962	1.9
67.05506	22.6
69.03434	4.7
69.07065	11.0
70.66314	4.6
70.66667	1.9
71.04992	3.3
79.05494	32.6
79.41837	1.5
81.03424	3.4
81.07058	53.8
83.04965	6.2
83.08610	11.8
85.02917	2.8
85.06540	5.1
91.05476	22.7
93.07043	19.7
95.04984	8.5
95.08609	14.9
97.02885	5.0
97.06533	4.6
97.10170	19.1
99.08076	5.4
103.05485	1.9
105.07031	17.0
107.04961	19.0
107.08591	18.4
109.06519	17.5
109.10152	10.8
111.04435	2.0
111.08079	2.5
114.76154	1.3
115.05450	2.3
117.03371	2.4
117.07019	16.9
119.04944	2.4
119.08583	32.9
121.06496	10.5
121.10171	8.2
123.08092	9.8
125.09634	14.6
127.05803	1.3
128.06268	1.7
129.05518	1.9
129.06984	6.8
131.08568	17.3
133.06487	3.4
133.10146	5.7
133.90489	1.5
135.08086	8.2
135.11707	3.1
137.09593	3.0
142.07756	2.5
143.08559	6.2
145.02859	10.4
145.10120	13.4
147.04430	3.0
147.08055	17.5
147.11734	2.7
149.06052	1.8
149.09608	4.2
149.13286	2.7
153.09149	2.5
155.08601	1.7
157.10115	10.3
159.08064	3.2
159.11691	7.5
161.09644	5.4
161.13193	1.7
163.03912	1.9
163.11179	3.7
165.09094	2.9
171.11696	3.5
173.09612	1.6
173.13214	3.6
177.05466	24.9
182.15448	4.8
183.11742	2.2
185.09676	1.6
185.13184	1.6
189.11247	13.4
191.14386	2.3
199.11090	1.6
209.13217	1.8
210.14923	6.6
217.15891	5.5
219.13820	8.5
223.13342	3.5
227.18037	3.3
235.16890	1.9
237.14612	3.0
245.19078	3.0
249.14864	5.4
255.17476	6.0
273.18500	49.2
274.18750	2.5
291.19534	100.0
292.19806	5.6
309.11136	2.1
309.20596	2.0
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	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03947	14.2
54.80619	2.0
55.01868	9.8
55.05269	3.0
55.05515	53.8
57.03438	27.8
57.07079	3.3
59.04983	2.5
65.03939	3.0
67.05170	3.4
67.05507	51.8
69.03436	12.9
69.07073	20.6
71.04991	30.7
73.02917	5.6
75.04470	8.4
79.05496	86.7
79.05962	4.1
80.05819	2.4
81.03426	20.9
81.07059	68.8
83.04992	17.8
83.08619	23.5
85.02907	70.1
85.06539	9.5
91.05481	38.5
92.56248	2.1
93.07044	100.0
94.07359	2.1
95.04969	38.4
95.08604	42.8
97.02892	8.8
97.06519	16.9
97.10172	39.6
99.08109	4.0
101.06001	3.9
105.07032	25.1
107.04978	11.7
107.08590	35.5
109.06535	20.4
109.10149	14.0
111.04433	8.5
111.08072	7.0
113.06004	18.2
117.07056	13.3
119.04942	8.5
119.08587	27.6
121.06507	10.0
121.09319	2.9
121.10149	33.4
123.04430	2.3
123.08080	53.7
123.11717	5.8
125.09633	34.2
127.03920	4.2
127.07545	2.8
129.05498	16.8
129.07030	6.1
131.08598	16.5
133.10114	13.9
135.04395	2.1
135.08049	14.9
135.11668	11.9
137.06050	2.1
137.09604	6.8
139.11110	2.4
143.08566	7.3
143.10669	2.8
145.02824	2.6
145.06508	4.4
145.10132	13.2
147.04413	21.8
147.06503	9.7
147.08023	10.3
147.11665	5.3
148.07008	2.0
149.09612	8.8
149.13235	2.9
151.11174	7.3
153.09058	5.3
157.10120	6.3
159.08087	2.8
159.11708	8.3
161.09604	6.5
163.03960	4.9
163.11156	6.6
165.09087	5.0
168.35756	2.4
169.10193	3.3
169.12254	3.7
171.10289	3.5
171.11693	7.4
173.13297	3.7
175.11191	4.5
177.05487	3.1
177.12711	5.2
181.12260	2.8
183.11716	2.9
185.13333	3.1
187.11206	6.7
187.13258	3.9
189.11223	35.2
189.12756	2.5
193.12230	2.6
193.43221	2.2
195.13838	5.2
199.14914	2.5
205.12149	3.0
207.13722	2.4
211.13254	2.9
213.16434	2.4
217.15892	7.3
219.13864	5.9
221.15240	3.1
223.13324	10.7
227.17946	4.1
229.15106	3.0
237.16440	3.3
241.14401	2.3
245.19281	3.3
249.18532	3.1
255.17447	8.0
263.19946	3.8
273.18509	40.1
274.18918	4.2
277.08475	2.9
281.11920	3.7
291.19553	76.3
292.19925	3.0
307.38913	2.3
309.11020	6.1
309.20624	37.0
310.20764	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.86966	0.8
53.03937	0.9
55.01865	5.4
55.05512	5.4
57.03434	32.9
57.07069	2.3
65.03936	2.0
67.05503	27.1
69.03418	1.4
69.07063	4.9
69.14826	0.8
71.04986	4.0
79.05495	12.2
81.07057	12.6
83.04971	2.6
83.08614	2.0
85.06541	33.0
91.05466	11.4
93.07046	12.4
95.04964	39.5
95.08593	8.9
96.05295	0.9
97.06530	2.0
97.10208	1.1
98.20909	3.5
100.95730	0.8
105.07015	8.9
107.04951	2.9
107.08595	9.3
109.06516	38.6
109.10149	2.6
111.08085	1.4
113.06002	100.0
114.06335	2.7
115.05482	0.9
117.07012	5.2
119.04919	1.4
119.08568	5.3
121.06527	2.0
121.10124	3.1
123.08072	3.0
123.11717	0.9
129.07018	2.9
131.08566	6.6
133.10155	4.2
135.08051	31.5
135.11658	2.7
136.08383	1.5
137.06010	1.4
139.07455	1.2
143.08560	3.4
145.10123	4.8
147.04410	2.8
147.08012	1.8
147.11601	1.7
149.09647	5.2
149.13211	1.1
157.10129	3.4
159.08167	1.3
159.11708	3.7
159.64238	0.8
159.93672	0.8
161.09604	3.9
163.03812	1.1
163.11214	1.4
165.09067	1.3
171.11702	1.9
173.13258	1.5
175.11162	1.8
177.05334	0.8
177.12801	1.9
183.11639	1.1
185.13219	0.8
187.11154	0.9
189.16359	1.6
195.12013	0.9
195.13800	1.6
199.11240	0.9
199.14827	3.0
201.12849	1.4
217.15842	11.6
219.13777	1.6
227.17847	1.4
245.19077	1.8
247.13382	1.0
252.64017	1.0
255.17351	1.8
273.15790	1.6
273.18518	17.4
275.12759	2.0
288.71613	1.0
291.19537	49.4
292.19891	3.0
309.20557	3.4
309.23795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	14.8
55.01857	7.6
55.05510	15.0
57.03431	10.2
57.07066	4.4
65.03935	2.4
67.05166	3.4
67.05502	41.1
69.03420	7.4
69.07059	14.8
70.04057	2.0
71.04993	15.8
71.08615	4.9
71.59209	3.0
71.59871	2.2
73.24176	2.0
75.99687	1.9
79.05485	34.1
81.03414	35.3
81.07050	72.9
81.07520	4.6
81.70988	2.4
82.07380	2.2
83.04972	10.4
83.08598	8.2
85.02888	4.7
85.06531	11.0
85.06956	1.9
91.05479	19.5
93.07035	34.3
95.04971	18.8
95.08598	30.5
97.02847	2.8
97.06513	7.6
97.10192	3.8
98.98434	3.5
99.08075	4.5
101.06003	2.3
105.07033	17.2
107.04963	15.7
107.08576	20.6
109.06511	49.3
109.10128	8.5
111.08074	3.5
113.06011	17.4
115.05470	3.1
117.07005	16.0
119.08575	12.6
121.06489	6.3
121.10124	13.4
123.04414	2.7
123.08064	19.7
123.11703	2.1
125.09631	2.6
129.06995	2.7
131.08556	18.1
131.90211	2.1
133.06482	3.5
133.10083	9.8
135.08049	18.7
135.11682	19.9
137.05980	5.7
137.09619	3.9
141.06989	3.3
143.08559	4.8
145.06467	8.5
145.10143	10.7
147.04446	4.2
147.08066	3.1
147.11685	3.8
149.09587	7.2
149.13274	8.4
155.01059	3.0
157.10106	2.7
159.08122	3.3
159.11694	12.8
161.09654	5.8
161.13281	2.9
163.03894	4.0
163.11214	4.5
165.09093	3.4
169.10085	5.0
171.11719	3.0
175.11185	2.6
177.12694	5.2
185.13254	2.7
187.11166	9.3
193.12207	4.8
195.13789	8.6
199.14787	3.0
205.12283	4.6
217.15868	8.4
241.14346	8.6
245.18918	2.3
263.20258	3.0
273.18454	21.4
277.21667	4.3
291.19525	100.0
291.22803	3.6
291.80038	2.3
292.19769	4.4
292.22702	4.5
293.20953	3.7
309.14749	2.5
309.20456	22.9
309.23724	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03936	6.0
55.01863	11.6
55.05512	52.0
57.03437	49.3
67.05505	45.7
67.44462	3.9
69.03427	9.9
69.07056	16.5
70.10433	16.7
72.65453	3.9
75.80679	3.8
79.05491	54.5
81.03409	8.2
81.07054	53.9
83.04973	11.6
83.08614	27.8
85.02898	6.7
85.06525	9.0
91.05486	45.1
92.05814	4.3
93.07040	41.8
95.04951	20.3
95.08596	24.6
97.06536	13.2
97.10178	48.5
99.08071	10.3
105.07047	34.6
107.04958	37.0
107.08599	38.4
109.06517	34.2
109.10159	13.7
111.08118	7.7
113.05978	10.1
117.07031	20.0
119.08588	33.9
121.06483	13.6
121.10154	16.6
123.08052	23.2
125.09641	41.6
129.06992	9.7
131.08578	24.2
133.10100	11.7
135.08069	19.0
135.11745	5.6
137.09589	7.3
141.07043	4.2
143.08530	7.2
145.10112	22.2
147.08054	14.9
147.11734	8.0
153.09102	9.6
157.10107	7.2
159.11673	11.3
161.09572	9.3
163.03893	6.2
163.11168	5.0
165.09064	9.9
169.12238	5.1
171.11736	3.6
173.13179	9.3
175.14861	4.6
183.11703	5.0
185.13316	4.8
187.14827	4.0
189.11215	41.6
189.12718	6.6
201.12791	9.1
217.15840	13.2
219.13855	27.2
227.18117	4.7
235.16930	5.2
245.22493	3.6
255.17397	17.0
273.18475	73.2
291.16272	4.0
291.19528	100.0
292.19977	5.2
309.17236	6.5
309.20447	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	309.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37752	3.9
53.03940	10.5
55.01860	15.4
55.05516	38.0
57.03407	7.5
57.07081	30.8
67.05165	6.8
67.05506	77.3
69.03439	7.3
69.07072	29.2
70.76004	13.7
71.04981	11.2
71.08642	23.5
72.04501	4.5
73.02917	3.7
79.05492	46.9
81.03410	18.6
81.07058	90.1
83.04983	24.0
83.08624	15.1
85.02914	6.3
85.06537	8.8
91.05485	62.0
93.07047	62.2
94.55675	3.5
95.04977	22.0
95.08611	100.0
97.02903	3.7
97.06535	13.9
97.10168	11.2
105.07037	51.1
107.04942	18.4
107.08600	45.5
108.05376	3.6
109.06509	17.8
109.10164	59.7
110.10503	3.8
111.04471	5.3
111.08064	7.8
113.06057	5.9
117.07016	16.0
119.04944	4.4
119.08569	32.8
121.06520	10.1
121.10149	24.5
123.04430	4.5
123.08072	36.4
123.11733	14.8
125.09630	7.2
129.07004	8.2
131.08577	20.2
133.02824	7.5
133.06502	8.5
133.10135	73.3
135.04422	15.5
135.08060	13.9
135.11690	9.3
137.06024	4.9
137.09587	11.7
139.07536	5.2
141.06937	4.1
143.08554	7.3
145.10133	17.4
147.04420	14.7
147.08051	6.9
147.11697	11.3
149.09627	11.9
151.11217	45.1
153.66563	4.1
157.10132	9.3
159.08069	5.1
159.11685	9.2
161.09610	18.0
161.79033	4.8
163.11104	6.6
163.14841	5.2
165.09160	7.8
169.10091	4.5
169.12277	7.6
171.11684	8.0
173.09593	4.7
173.13217	5.3
175.11299	9.7
177.09035	4.8
179.10687	4.6
185.13264	4.6
189.12701	5.8
191.08498	7.5
199.11240	5.4
199.14888	5.4
208.86476	4.2
219.08026	15.8
245.19037	13.4
249.09171	11.1
255.17351	10.0
263.20135	9.8
273.18433	43.7
275.96066	4.8
277.08554	9.2
281.14923	4.1
291.19519	63.9
291.22586	7.4
309.11093	11.7
309.14719	11.6
309.20538	22.5
309.28085	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	309.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03947	3.2
55.01874	9.8
55.05513	23.7
56.46770	1.4
57.03441	18.3
57.07072	4.5
59.05008	2.0
65.03963	1.6
67.05507	24.2
69.03424	7.9
69.07067	23.1
70.66131	4.3
71.04993	16.9
71.08617	3.3
71.27756	1.4
72.15470	1.2
73.02931	2.8
75.04469	3.9
79.05489	25.2
81.03409	6.0
81.07059	64.4
82.04194	1.3
83.04980	9.8
83.08628	11.0
85.02913	18.0
85.06544	25.0
85.10167	1.9
87.04482	1.7
89.03903	3.9
89.27404	1.2
91.05481	34.8
93.07046	100.0
95.04968	14.4
95.08602	30.4
97.02892	50.7
97.06522	19.1
97.10178	3.3
98.97578	4.3
99.04451	20.3
101.06001	3.7
105.04498	1.7
105.07031	71.0
107.04942	5.0
107.08599	28.6
109.02893	1.5
109.06519	21.5
109.10165	18.4
111.04420	3.0
111.08089	7.1
111.11717	2.1
113.06040	2.9
115.03944	10.6
115.05488	1.3
116.98594	3.5
117.03382	14.4
117.07017	4.9
119.04944	5.3
119.08588	50.5
120.08843	1.3
121.06506	26.3
121.10134	14.9
123.08061	7.6
123.11696	9.8
125.09647	2.0
127.07574	10.3
128.06174	1.8
129.05495	9.9
129.07010	7.5
131.08597	8.7
133.06493	2.3
133.10126	30.6
134.03690	1.9
135.04446	3.0
135.08061	7.6
135.11693	6.0
137.06009	4.5
137.09599	2.9
137.13266	3.2
139.07516	11.2
139.11208	1.5
142.07800	3.8
143.08600	12.0
145.02849	40.2
145.10114	15.3
147.04433	14.9
147.06509	2.5
147.08057	6.8
147.11684	64.2
148.11952	1.6
149.05983	8.5
149.09636	4.7
149.13208	7.6
151.07539	3.4
151.14883	1.5
153.06917	1.6
153.12738	1.6
155.08586	1.5
156.07979	1.3
156.09358	5.4
157.10123	17.8
159.08017	2.1
159.11690	3.8
161.05928	2.5
161.09619	5.8
161.13263	23.4
163.03906	2.7
163.11191	3.9
163.14804	3.2
165.09108	3.1
165.12802	3.3
167.10715	1.5
169.08714	2.0
171.11681	18.3
173.09610	2.1
173.13255	2.5
175.11168	15.5
175.14703	1.5
177.00632	1.7
177.05473	80.9
177.12759	1.7
177.16400	2.0
178.05757	1.7
179.10651	1.3
181.10153	2.1
185.13271	1.7
186.05542	1.9
189.09062	1.9
189.12758	36.7
193.12312	3.3
195.06619	3.3
195.10196	4.0
199.11191	12.4
207.13814	14.3
217.12248	31.3
217.19574	1.8
219.13957	1.7
227.14424	1.5
234.06723	1.8
235.13260	8.2
245.08275	1.8
249.09010	1.4
255.13820	2.0
273.15012	2.8
273.18469	3.7
273.25717	4.2
277.08585	3.0
281.11786	2.8
291.08688	2.5
291.15988	6.1
291.19614	11.0
291.26801	5.0
294.08862	1.7
309.10788	7.5
309.17020	68.4
309.20758	5.2
309.27710	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	309.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03937	5.2
55.01866	6.1
55.05514	12.6
57.03440	16.4
59.04998	2.9
67.05502	10.0
68.70564	1.4
69.03416	3.0
69.07066	10.7
70.76049	3.6
70.76413	3.4
71.04985	10.1
73.09185	1.6
79.05492	23.5
81.03410	3.1
81.07059	43.4
83.04968	6.2
85.02884	5.4
85.06531	14.2
91.05478	23.4
93.07044	100.0
94.38441	1.5
95.04974	14.8
95.08614	11.1
97.02832	3.6
97.06527	17.6
98.97607	3.0
99.04456	31.8
101.06022	4.6
105.07032	69.8
107.04967	4.2
107.08592	23.9
109.06523	16.4
109.10162	4.4
111.08099	1.9
111.11719	1.9
113.05991	2.8
116.98660	3.5
117.07009	2.1
119.04927	5.7
119.08577	40.5
121.06514	32.1
121.10142	4.4
123.08061	4.5
123.11731	2.3
125.09522	1.5
127.07551	10.7
128.06253	2.4
129.05475	7.6
129.06985	4.4
131.08554	6.7
133.06497	3.1
133.10130	25.9
135.08069	6.0
137.05890	4.1
139.07552	13.9
142.07738	4.6
143.08556	10.7
145.10121	10.9
147.04428	14.4
147.08032	5.7
147.11685	66.8
148.12050	1.9
151.07562	3.9
155.08678	1.9
156.09389	5.0
157.10146	15.5
161.09698	3.5
161.13237	19.3
165.09023	1.9
169.08580	3.6
171.11678	24.7
173.09569	2.2
175.07654	1.9
175.11189	22.0
177.00731	2.7
177.05347	2.7
178.82472	1.5
181.10138	3.1
184.08833	1.6
189.12723	38.4
193.12225	3.6
195.10229	5.2
195.81113	1.6
199.11157	15.1
207.13815	19.1
214.67459	1.5
217.12260	41.9
217.35530	1.6
235.13255	12.9
243.69887	1.6
263.16177	1.7
273.69412	1.8
277.08774	2.7
291.15906	5.9
309.07498	3.0
309.11240	3.9
309.16980	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1305
Annotation	NECA
Peak:m/z	Relative Intensity
53.33553	0.9
55.01865	1.8
55.17235	0.9
57.03428	4.1
57.42723	1.0
60.04509	1.2
61.02927	1.2
69.03412	2.9
70.04076	1.3
70.06580	3.0
70.29999	3.7
71.01348	1.8
71.04984	1.0
72.08150	2.8
73.02909	2.6
75.55704	0.9
81.07027	1.1
84.04506	2.0
84.08134	4.2
85.02909	7.1
85.79815	0.9
86.06034	1.1
86.09716	1.2
95.08640	1.3
97.02889	2.9
98.97578	1.6
98.98474	1.1
100.61260	1.0
107.08603	1.4
108.05585	1.4
109.05126	2.7
116.98588	1.4
119.71324	0.9
121.05111	3.9
123.04455	0.9
123.98969	0.9
127.03934	1.4
128.07008	1.3
129.10260	2.2
133.05038	4.2
134.99655	1.3
135.05461	2.1
135.06657	9.4
135.07672	1.4
136.06186	62.6
137.04626	2.2
137.06070	0.9
137.06978	7.4
138.07750	6.7
147.04414	2.7
148.06134	2.2
150.05518	3.4
150.07764	9.4
151.06206	2.3
156.26729	0.9
160.06194	50.9
162.07770	4.1
166.07285	1.3
174.07652	2.6
177.08844	100.0
178.07188	2.0
201.00771	1.6
219.09952	1.2
229.07498	1.2
237.02881	1.1
268.10507	4.6
269.11252	2.0
309.13062	35.1
310.13284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.4
53.03947	1.1
53.70815	0.4
55.01868	0.8
55.05508	1.5
56.96557	0.6
57.03436	2.0
59.05012	0.5
64.68823	0.4
65.03941	1.0
67.05500	2.3
67.68483	0.4
69.03426	5.7
69.07059	1.4
69.34750	2.3
69.35174	1.8
71.04991	1.4
73.02908	0.9
74.06136	0.4
77.34521	0.4
79.05503	2.7
81.03430	2.9
81.06724	0.4
81.07066	4.1
83.04990	0.7
83.08629	0.8
85.02908	4.4
85.06532	0.7
87.04464	0.5
88.40930	0.4
89.03938	2.1
90.37222	0.4
91.05482	8.8
93.07076	3.4
93.32973	0.4
95.04977	1.7
95.08618	2.5
97.02898	39.3
97.06537	1.3
98.03168	0.6
98.20696	0.7
98.97590	1.5
99.04449	0.8
103.05392	0.6
105.03400	0.7
105.07039	4.9
107.05003	0.4
107.08588	2.6
109.02882	1.2
109.06505	0.8
109.10162	2.8
111.04482	0.8
111.08085	1.1
115.03936	0.6
116.98608	1.7
117.03381	8.8
117.06993	0.7
119.04951	22.3
119.08575	2.3
121.06526	1.1
121.10153	2.3
123.04417	0.7
123.08063	0.9
123.11718	1.3
127.03912	1.7
128.06216	0.5
129.07005	2.2
131.04865	0.5
131.08563	1.4
133.06465	0.5
133.10152	2.0
134.99669	0.5
135.04446	1.4
135.11713	1.3
136.04771	1.3
137.06000	1.8
142.07761	0.5
143.08571	1.7
145.02853	18.1
145.10147	1.7
146.03227	0.8
147.04416	100.0
147.11694	1.3
148.04767	1.9
149.06009	2.5
149.09605	0.7
149.13290	1.1
151.07582	0.5
151.11203	0.6
157.06488	0.7
157.10181	0.7
159.11697	1.0
161.06007	0.8
161.13281	0.8
163.03914	0.5
163.11203	0.7
165.05534	3.0
165.06822	0.7
167.03413	0.9
171.08110	1.0
171.11659	2.0
173.13210	0.5
175.07710	0.7
175.11201	1.0
175.14806	1.0
177.00716	0.8
177.05481	35.0
177.12851	0.5
178.05852	0.6
178.07820	0.5
181.04977	1.8
186.05460	0.6
187.11197	0.7
189.09033	0.5
189.12752	1.6
206.07327	0.6
217.12309	1.9
218.98029	0.6
221.06091	0.9
234.06667	0.5
235.07474	0.7
245.08009	1.0
248.04961	0.4
249.09190	0.9
251.07008	0.6
255.17461	0.8
263.07108	0.6
266.05756	0.5
273.18359	0.6
277.08670	1.8
281.11771	2.4
291.08746	2.8
291.16077	1.0
291.19577	1.0
294.05386	0.9
309.07095	1.0
309.10294	4.9
309.16998	1.7
309.20657	1.8
309.23914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01869	1.1
55.05512	2.9
57.03423	1.3
57.07069	1.4
57.45599	0.4
65.03934	0.7
67.05501	3.4
67.17448	0.4
69.03429	5.5
69.07072	5.4
69.35307	2.3
69.35744	2.2
69.77967	0.4
71.04987	1.5
73.02908	0.6
73.95963	0.4
77.33280	0.4
79.05491	2.4
81.03417	14.9
81.07053	8.5
83.04970	1.1
83.08613	1.7
85.02899	4.5
85.06547	1.3
91.05483	9.6
93.07046	3.5
93.86023	0.4
95.04968	1.5
95.08609	6.1
96.08952	0.5
97.02888	3.9
97.06527	1.4
97.10172	3.0
99.04472	1.9
101.73882	0.4
105.07021	1.8
107.08588	3.5
109.02892	5.3
109.06543	1.3
109.10170	3.4
110.10465	0.5
111.08066	1.2
111.11697	1.3
115.03941	1.2
117.03366	1.4
119.04944	21.7
119.08584	2.0
121.10142	2.3
123.08080	0.8
123.11697	2.5
124.08887	0.4
125.09623	2.3
127.03929	2.0
133.10130	1.1
135.04410	0.4
135.11719	1.3
137.13239	0.8
139.11166	0.5
140.11540	0.5
143.10722	1.0
145.02847	3.5
147.04411	100.0
147.11713	0.7
148.04767	1.9
149.05956	0.4
149.09584	0.4
149.13272	1.1
153.12743	1.3
157.10110	0.6
159.11699	0.6
161.09723	0.7
163.11185	0.5
163.14883	0.5
165.05475	3.8
167.14258	0.6
177.05492	5.9
182.94168	0.4
187.11115	0.6
189.09109	0.5
195.06540	0.7
205.14557	0.4
233.96808	0.4
277.08731	0.6
281.11749	0.6
291.08624	14.5
291.15982	0.5
291.19550	1.3
291.26712	0.6
292.09000	0.7
308.26929	0.5
309.09766	3.3
309.16907	1.0
309.20734	1.3
309.27777	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
53.82306	0.6
54.95437	0.6
55.01865	1.9
55.05513	8.5
56.96523	0.7
57.03445	6.5
57.07084	4.0
59.05004	1.5
62.86993	0.6
64.57825	0.6
65.03933	1.4
67.05168	0.9
67.05506	12.2
69.03439	7.0
69.07072	26.6
71.05006	5.9
71.08627	2.2
71.60320	1.0
73.02912	0.8
79.05498	6.9
81.03431	3.9
81.07064	30.6
83.04974	3.5
83.08624	6.2
85.02426	0.8
85.02912	9.2
85.06557	4.1
89.03916	2.1
91.05487	15.4
93.07053	22.5
94.82672	0.6
95.04980	10.0
95.08612	21.8
97.02901	30.4
97.06521	4.6
97.10167	3.4
99.04467	4.6
99.08097	2.3
101.02388	0.6
101.06041	0.8
103.05431	0.7
104.36079	0.7
105.07036	10.8
107.08597	10.9
109.02901	4.3
109.06554	4.1
109.09451	1.3
109.10162	12.7
111.04434	1.1
111.08076	3.9
111.11722	4.3
113.06017	2.0
115.03950	0.8
117.02589	0.9
117.03382	7.3
117.07007	1.7
117.42791	0.6
119.04951	23.6
119.08590	7.1
121.06522	7.9
121.10155	7.8
123.08085	2.0
123.11730	7.6
125.09608	1.1
125.13282	0.9
127.03983	1.4
127.07572	1.8
129.05484	1.8
129.07001	1.4
131.08566	2.4
133.10141	6.7
135.04475	0.9
135.08081	0.8
135.11703	5.0
137.05965	1.7
137.09663	1.3
137.13240	4.6
139.07539	2.0
139.11183	3.7
142.07825	1.2
143.08569	1.5
145.02855	19.7
145.10129	3.0
147.04420	100.0
147.11703	7.7
148.04736	1.5
149.05997	2.5
149.09598	0.7
149.13261	3.5
151.11240	0.8
151.14833	0.9
153.09232	0.8
153.12730	2.5
157.10143	2.9
157.12312	0.7
159.11693	1.5
161.09607	0.9
161.13252	4.2
163.03989	1.0
163.14838	1.8
165.05537	3.4
165.06772	0.6
165.12744	2.1
169.08623	10.6
171.11758	3.5
173.13260	1.0
175.11197	4.4
175.14749	1.0
177.05486	39.2
177.16451	2.1
179.14415	0.8
186.05560	0.9
189.12766	5.6
191.17862	0.7
193.12230	1.8
195.06497	1.2
195.10149	3.0
199.11156	1.8
203.17993	1.2
207.13841	2.2
217.12244	7.5
217.19522	1.5
219.13884	0.7
234.06871	1.2
235.13309	2.2
249.09215	1.2
273.07559	0.9
273.18533	0.7
273.25739	3.0
277.08627	1.6
281.11594	1.6
290.99872	0.6
291.08612	2.6
291.15845	1.1
291.19803	1.0
291.23718	1.2
291.26807	5.2
294.05264	0.8
294.08737	0.8
309.09622	7.1
309.17001	10.6
309.24545	1.0
309.27917	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	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01857	0.8
55.05303	0.3
55.05510	3.4
57.03440	2.8
57.07066	1.5
59.05001	3.1
63.14460	0.3
64.87312	0.3
65.03938	0.6
67.05499	3.9
69.03432	4.3
69.06721	0.6
69.07069	8.9
69.38437	3.2
70.07390	0.4
71.04987	1.6
71.08627	0.7
73.06524	0.5
79.05479	2.3
81.03413	5.6
81.07059	10.0
82.07436	0.3
83.04974	1.1
83.08631	3.3
85.02911	4.3
85.06522	1.7
85.10207	0.4
91.05477	9.9
92.18197	0.3
93.07050	5.1
94.07333	0.4
95.04971	1.6
95.08607	8.2
97.02892	9.9
97.06529	1.6
97.10180	0.9
98.97575	1.1
99.04433	1.0
99.08089	3.8
105.07052	2.3
107.04940	0.8
107.08593	5.1
109.02880	2.8
109.06509	1.2
109.10164	3.9
111.04414	0.4
111.08092	2.2
111.11716	0.9
116.98616	0.6
117.03358	0.5
117.06996	0.8
117.09117	0.6
119.04941	21.7
119.08566	2.3
121.06493	0.7
121.10140	1.6
123.04431	0.4
123.08084	1.4
123.11705	2.9
125.09649	0.7
125.13229	0.5
127.03923	1.2
127.07572	1.6
129.07011	0.6
131.08565	0.7
133.10130	2.0
135.04453	0.4
135.08043	0.8
135.11678	1.6
137.05963	0.4
137.09554	0.6
137.13222	0.9
139.11195	0.7
142.05949	0.3
145.02814	1.7
147.04407	100.0
147.11676	1.3
148.04736	2.0
149.09624	0.6
149.13290	1.4
151.11195	0.4
151.14862	0.5
153.12791	0.6
157.10178	0.4
158.99631	0.4
159.08052	0.4
161.13275	0.8
162.04425	0.3
163.03922	1.7
163.11153	0.5
163.14856	0.5
165.05482	3.6
165.09129	0.4
165.12738	0.8
172.25432	0.4
177.00694	0.6
177.05479	5.2
177.06882	0.5
177.16391	0.4
189.12773	0.7
206.07292	0.8
221.09729	0.7
234.06802	0.5
235.20645	0.4
249.09096	1.2
255.17415	0.4
271.72266	0.4
273.18423	1.5
276.61420	0.4
277.08591	1.4
281.11783	1.3
291.08588	4.7
291.19519	3.2
291.26727	1.2
309.09717	4.2
309.17239	0.5
309.20657	2.1
309.27869	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50909	0.6
54.93796	0.7
55.01873	0.9
55.05505	1.4
56.96559	5.3
57.07086	0.7
59.01963	0.7
60.04532	0.8
61.02916	0.8
66.14095	0.6
66.37136	0.8
67.05516	3.2
68.17936	0.7
69.03422	2.0
70.06612	3.7
71.04999	1.2
71.58788	0.8
72.08150	1.9
73.02912	1.1
79.05482	1.0
81.03424	1.1
81.07039	2.2
83.04961	0.7
84.04517	1.1
84.08147	3.7
85.02906	5.6
85.06545	0.7
86.09702	0.9
87.04430	1.1
89.03910	1.0
90.41203	0.6
91.05463	0.9
93.07043	3.1
95.08611	3.1
97.02885	2.1
98.97569	3.3
98.98488	0.6
107.08611	1.1
109.02848	0.9
110.07156	0.9
111.04470	0.9
111.08061	1.0
112.07617	0.9
112.20718	0.8
115.89978	0.6
116.98617	4.3
118.92146	1.0
121.10081	0.6
122.07114	1.5
127.03879	2.8
128.98607	1.4
129.10188	0.6
130.08714	1.3
133.10158	0.8
134.99635	2.1
135.04413	2.0
136.06178	0.9
136.07581	0.7
136.93103	7.9
143.00182	1.0
145.02856	1.3
146.99626	1.1
149.01212	0.7
150.05519	2.2
154.94170	30.4
156.97450	0.8
158.99582	0.9
161.01198	1.2
163.03925	8.5
164.04269	0.9
165.00708	0.8
168.01810	0.9
170.06364	2.0
172.95241	100.0
174.95729	1.6
174.98607	2.4
177.00696	2.0
177.02213	1.0
182.99657	0.7
188.07368	1.5
189.00723	1.2
190.96289	66.0
191.96797	0.7
195.96806	5.2
198.02840	0.7
201.00761	1.9
203.02292	0.8
205.00040	0.7
208.97304	2.0
213.97850	2.7
219.01633	2.5
227.54344	0.8
231.01564	0.7
232.99660	0.8
237.02034	5.3
245.06984	0.9
249.01840	9.9
255.03069	20.1
267.03043	79.3
268.03378	1.9
273.04138	2.8
285.04135	63.2
286.04440	1.4
290.04706	5.9
291.04749	1.2
291.10693	0.9
303.05289	3.5
308.05792	3.8
309.05484	3.4
327.04996	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	308.222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.48974	0.2
57.07064	0.5
67.05490	0.4
69.07063	0.8
69.45203	1.7
70.04078	0.6
71.08620	0.6
79.05505	0.5
81.07045	1.7
83.04987	0.2
88.07659	0.2
90.38161	0.2
91.05489	0.5
93.07026	0.2
94.04174	1.9
95.08591	0.7
98.94708	0.2
99.08102	0.2
107.04981	0.2
107.08613	0.2
109.06505	0.4
109.10143	0.4
121.10204	0.2
122.03651	5.0
123.02507	0.2
128.10706	0.3
135.11708	0.2
137.05975	100.0
137.13298	0.4
138.06291	1.7
142.03185	0.2
153.12788	0.2
155.14301	0.2
165.12730	0.2
172.16974	1.5
184.16948	2.7
291.23279	0.4
308.22543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.05494	10.9
56.16014	3.0
56.96539	4.7
57.03433	6.1
57.07071	8.0
58.06601	21.3
59.04985	6.7
59.06123	35.7
60.04509	10.1
61.02909	6.3
65.03925	4.3
67.05502	21.0
68.99775	3.4
69.03423	21.2
69.07057	10.8
70.04075	7.6
70.06584	19.8
70.47759	9.3
71.05001	20.2
72.08148	6.3
73.02924	4.1
76.02222	7.9
79.05473	16.3
81.03416	16.0
81.07054	100.0
82.03723	4.8
83.04977	5.3
83.08616	6.1
84.04501	10.7
84.08128	9.9
85.02906	51.6
85.06530	6.5
86.03215	9.2
86.09692	12.0
87.00822	6.0
91.05476	21.2
93.07039	37.5
94.07349	3.6
95.04967	14.9
95.08616	29.0
97.02882	10.4
99.04445	16.7
100.04801	4.6
100.07584	3.5
102.05584	3.0
103.03952	22.0
103.05415	4.0
104.04265	11.1
105.03398	3.3
105.07020	32.2
107.04974	4.2
107.08594	40.1
109.02834	17.6
109.06527	25.9
109.10156	47.1
110.03197	3.9
111.08063	6.9
114.05511	4.2
116.07085	4.8
117.03425	5.0
119.04929	7.2
120.08115	13.9
121.06508	3.5
121.10136	6.3
123.08083	5.7
123.11726	30.0
124.07648	3.0
125.23382	3.1
127.03922	23.6
128.04250	11.7
128.07028	3.1
129.01830	4.0
129.10242	3.5
130.06485	5.4
131.04941	3.5
131.08568	5.1
132.04453	5.3
133.10121	62.5
135.11667	3.8
136.06168	4.5
136.07561	4.9
137.06017	5.5
144.06583	3.4
145.02847	7.3
145.04904	6.1
146.05309	6.1
147.04398	45.6
151.11177	89.6
153.04063	4.3
158.91154	3.1
163.03912	13.1
164.05627	27.0
165.05487	3.8
169.12218	29.1
172.95268	4.9
173.04451	6.9
175.07426	3.3
176.07118	4.9
177.00690	4.7
177.05484	23.5
180.13875	3.1
182.04927	4.5
188.06358	4.0
203.07361	3.2
207.06432	4.4
208.02823	16.9
210.06180	14.2
210.14929	4.2
255.12315	20.7
261.10214	3.7
265.04944	3.3
271.13556	3.0
273.13351	7.3
278.11670	6.0
290.11523	3.2
291.08743	4.1
308.12576	29.2
309.07553	12.7
309.13437	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	308.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.05493	6.7
56.96557	4.5
57.03440	3.4
57.07068	3.6
58.06597	16.7
59.04994	5.5
59.06120	20.6
60.04525	4.7
60.08125	2.8
61.02906	3.2
63.71215	2.3
65.72566	2.2
67.05510	17.8
67.40866	2.4
69.03436	22.5
69.07053	7.7
69.79571	13.9
70.04076	10.0
70.06593	12.8
71.04992	17.7
72.08148	4.9
76.02209	4.2
79.05499	18.4
81.03397	12.8
81.06577	5.1
81.07053	92.5
82.03724	7.8
83.04974	4.7
83.08638	2.8
84.04504	7.2
84.08132	11.2
85.02903	37.6
85.06533	4.7
86.03222	9.8
86.09697	10.6
87.00800	4.3
87.04480	3.6
88.61158	2.2
89.03960	2.8
91.05476	21.1
93.07036	28.5
95.04969	12.0
95.08601	33.8
97.02881	12.0
98.03210	3.8
98.97581	5.0
99.04440	13.3
100.04781	5.0
100.07637	3.8
102.05545	3.3
103.03946	23.7
104.04292	9.7
105.07026	37.3
107.04947	4.3
107.08591	39.7
109.02854	15.0
109.06513	27.8
109.10153	41.8
109.12885	2.5
110.03207	3.5
110.05986	3.1
111.08060	4.6
113.05989	3.2
114.05511	6.1
116.07104	3.0
119.04939	7.5
120.08088	13.9
121.10120	6.7
123.08067	5.0
123.11697	36.3
127.03902	23.3
128.04237	18.2
129.06935	3.4
129.10222	3.1
130.06595	3.4
131.08630	3.4
133.10138	66.4
135.11703	2.4
136.06128	5.7
139.11133	3.0
145.02811	5.2
145.04944	9.1
146.05223	4.8
147.04410	40.4
147.06375	3.1
149.05980	4.2
151.11185	100.0
152.11546	2.5
163.03903	8.1
163.05992	5.1
164.05641	22.3
165.05449	5.3
169.12238	22.9
173.04501	4.2
175.07578	3.7
176.07042	4.9
177.05406	17.2
179.04845	3.8
187.06117	2.9
206.07353	3.2
207.06483	2.9
208.02846	14.8
210.06242	10.9
221.06203	3.8
228.06374	2.9
255.12270	23.6
261.10059	3.8
273.07660	2.8
273.13110	2.7
277.04630	2.8
291.08646	3.2
308.12537	15.2
309.07535	6.2
309.13373	4.7
332.47794	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.7
55.05502	6.3
56.05038	12.9
57.03425	4.1
57.07057	1.9
57.42014	1.5
58.06593	4.1
59.06106	1.9
67.05497	5.5
69.03421	3.2
69.07063	7.1
69.71618	12.4
70.04086	4.4
71.04995	15.2
74.06079	100.0
74.09715	41.7
75.05598	9.3
79.05473	2.9
81.03417	3.6
81.07056	35.8
83.08606	3.0
85.02885	5.1
85.06546	2.7
91.05474	5.4
93.07041	5.0
95.08609	14.0
97.02889	4.7
97.06521	2.0
98.98490	2.8
99.04490	2.3
100.07600	1.6
100.11250	9.2
103.03909	1.8
105.07014	4.7
107.08604	3.5
109.02865	3.1
109.06504	1.8
119.04951	4.7
119.08602	2.3
123.11692	4.5
127.03926	2.4
128.04335	2.0
131.04880	1.8
133.10106	4.0
135.04420	2.5
136.06174	7.1
137.13245	15.0
141.11511	2.4
147.04402	23.2
151.11127	3.5
152.05664	27.3
153.04012	4.3
164.04230	2.2
177.05493	7.2
201.15289	1.6
210.14848	3.4
219.07909	2.1
219.63245	1.9
227.17575	3.8
238.01747	2.3
249.09154	2.4
260.21231	2.0
277.08456	3.4
308.05905	16.1
308.17111	15.2
309.07275	3.6
309.10956	3.7
309.16971	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	308.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.8
54.88216	4.3
55.05502	21.4
56.96557	8.3
59.05001	7.3
67.05495	30.1
69.03423	18.3
69.07057	13.8
69.63171	34.6
70.04071	17.6
70.06582	15.1
71.04988	9.8
72.08121	5.1
74.06059	6.3
76.02218	10.8
79.05495	28.6
80.70514	5.3
81.07059	88.5
83.04995	11.8
84.04483	9.4
84.08147	11.7
85.02898	11.5
85.06547	6.3
86.00642	5.9
86.09721	6.6
87.33011	4.5
88.02232	33.3
88.03994	39.4
89.03902	6.5
91.05475	30.8
93.07038	70.5
95.05013	24.8
95.08592	29.9
97.01074	5.9
97.02882	7.1
97.06567	6.9
99.02671	13.2
99.08084	8.5
100.02184	10.1
101.00563	5.2
105.07028	41.1
107.08599	46.5
107.16499	4.9
109.06518	57.3
109.10150	62.9
111.02640	7.7
112.07600	4.6
113.04205	8.0
116.01552	5.0
119.01608	8.8
119.08608	8.0
120.08110	47.1
121.10124	25.0
122.02727	11.3
123.08098	8.7
123.11674	29.5
125.04205	8.2
127.03908	7.8
127.05751	10.2
129.76645	4.6
130.06520	5.1
131.08563	11.9
132.01164	13.4
133.10130	60.5
134.02689	8.8
135.04419	10.8
137.05861	5.4
141.03661	7.4
145.02902	5.3
147.04437	9.7
149.09618	9.2
151.11165	100.0
152.11554	5.1
155.08754	5.7
163.03889	36.8
165.07324	17.1
169.12271	5.8
172.04259	12.9
174.05690	7.4
175.76250	4.7
183.08388	36.8
186.05779	6.8
191.11807	15.6
198.05939	8.7
199.04466	7.6
201.00783	7.6
201.09459	45.1
201.98918	4.4
205.07059	4.3
209.09969	5.1
219.11224	5.5
226.12607	6.8
234.15398	4.7
254.12105	46.6
267.19946	4.8
272.13162	76.3
273.11566	12.8
290.14276	33.1
308.15356	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	307.2634
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.01871	1.4
55.05514	16.8
57.03431	2.6
57.07078	6.9
59.04998	1.3
67.05505	14.9
69.03417	3.5
69.07072	60.3
70.06606	5.0
70.65714	2.0
71.04991	4.8
71.06919	1.7
71.08628	4.2
79.05507	9.1
80.62780	0.9
81.03410	1.2
81.07062	57.8
83.04971	4.0
83.08622	12.1
85.06550	6.0
88.07601	3.7
91.05488	5.6
93.06474	1.6
93.07053	27.7
95.04959	3.6
95.08614	40.7
97.06535	6.5
97.10143	4.2
99.04429	1.3
99.08090	1.6
102.09170	2.6
103.09492	1.3
105.07028	17.4
107.08601	21.6
109.06508	4.0
109.09464	1.8
109.10167	30.7
111.08085	5.6
111.11720	11.6
119.07726	1.5
119.08566	12.1
121.06503	1.4
121.10149	25.6
123.08057	1.9
123.11723	22.6
125.09601	1.3
127.11185	2.3
130.50389	0.9
131.08600	1.7
132.10143	1.4
133.10107	6.3
135.11700	11.5
137.09598	1.2
137.13252	9.5
139.11212	13.7
145.10129	4.4
146.11697	1.1
147.11688	11.7
149.13281	11.9
151.11183	4.7
151.14828	2.3
153.12778	6.6
155.10628	1.4
156.17509	1.2
159.11691	4.2
161.13339	5.2
163.14778	5.0
165.12781	15.8
167.14290	1.5
173.13315	3.1
175.14790	2.5
177.16386	2.1
178.96198	1.2
179.14288	3.7
183.13835	1.7
187.11119	1.4
187.14763	1.6
189.16481	2.0
193.01688	1.0
193.15909	1.5
200.20139	1.7
201.16437	2.3
201.20488	8.6
203.17946	1.7
215.18053	1.7
244.22804	1.8
245.23047	12.1
259.09708	1.5
271.24161	4.2
277.25259	2.2
289.25250	16.7
307.15442	3.0
307.26486	100.0
308.26776	2.3
309.08575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03940	4.7
53.92477	0.8
55.01859	4.0
55.05509	17.3
56.96557	1.2
57.03440	6.3
57.07080	5.1
59.05000	2.5
61.02916	2.1
67.05170	1.4
67.05506	19.7
67.05854	0.7
69.03082	1.4
69.03430	27.4
69.07068	100.0
69.82501	1.0
70.03726	1.0
70.07409	1.5
71.04993	9.9
71.08625	2.7
71.59058	1.6
73.02904	3.0
79.05487	12.1
81.03417	28.2
81.07057	64.6
82.07382	1.1
83.04970	4.9
83.08611	9.8
85.02903	46.7
85.06533	4.4
87.04486	1.4
89.03935	1.5
91.05477	8.8
93.07040	35.7
94.07334	1.4
95.04966	6.5
95.08604	52.5
97.02885	19.5
97.06517	9.7
97.10177	4.6
98.97571	1.7
99.04453	27.4
99.08074	2.7
101.02392	1.2
103.03944	47.9
105.07026	18.8
107.04950	2.1
107.07862	1.7
107.08590	31.6
108.08877	1.0
109.02878	21.3
109.06512	9.5
109.09460	1.6
109.10160	24.2
110.73450	0.9
111.08073	9.6
111.11721	22.3
116.98595	1.5
117.03352	1.7
117.06985	1.9
119.08588	12.7
121.06503	3.3
121.10137	22.6
123.04423	1.4
123.08073	4.5
123.11705	22.0
125.09638	2.8
127.03915	69.2
127.11230	1.4
128.04221	1.7
129.06993	1.9
131.08575	4.2
133.06474	1.2
133.10143	10.0
134.99684	1.3
135.04384	3.5
135.08072	2.7
135.11693	11.0
137.09608	2.6
137.13246	12.0
139.11176	27.4
142.84370	1.1
143.08531	1.9
145.02824	3.8
145.04951	13.8
145.06070	1.5
145.06479	0.9
145.10120	4.5
147.08052	1.7
147.11690	10.4
149.09601	2.5
149.13248	11.3
151.11185	12.6
151.14737	2.5
153.12729	4.3
155.08530	1.2
159.08113	1.4
159.11708	4.4
161.09659	1.5
161.13290	5.2
163.03897	22.4
163.06033	3.2
163.07443	1.4
163.14772	2.9
165.12770	10.3
169.12234	1.7
173.09619	1.7
173.13277	1.8
175.14798	4.1
177.12778	1.5
177.16383	2.7
187.06017	14.0
187.14778	2.7
189.16362	3.6
198.96953	1.3
203.17867	3.0
205.07060	9.9
207.13832	2.7
215.10661	1.2
215.17937	2.2
219.08162	2.2
219.17389	1.3
231.21016	1.1
245.22755	1.5
247.07646	1.9
247.13177	1.2
259.09601	1.0
264.07697	3.3
271.08151	2.0
271.16989	2.9
271.24167	5.2
275.06824	1.1
276.07742	1.3
277.25262	3.5
279.10098	1.1
289.15112	1.1
289.18018	6.5
289.25247	15.3
292.07214	1.4
307.09784	7.4
307.15472	1.7
307.19055	6.5
307.26291	31.2
308.26611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.01876	2.2
55.05511	16.5
57.03428	3.1
57.07073	7.2
59.04989	1.8
67.05505	25.4
69.03428	10.8
69.07069	65.9
69.85275	3.5
69.85682	6.0
70.04077	1.5
70.21746	1.6
71.04987	5.1
71.08636	1.8
73.06572	1.6
79.05482	16.1
81.03424	8.4
81.07054	100.0
83.04986	5.0
83.08624	14.1
85.02908	8.0
85.06533	8.7
90.91808	1.7
91.05484	14.1
93.07038	40.8
95.04964	4.2
95.08605	45.6
97.02911	3.8
97.06529	10.9
97.10167	5.6
98.21422	2.0
98.97576	3.0
99.04470	4.6
99.08076	3.3
101.06011	2.1
103.03927	7.9
105.06385	2.8
105.07033	38.2
107.04965	2.8
107.08591	33.1
107.12666	1.5
109.02856	3.2
109.06537	8.6
109.10148	36.5
111.08077	18.2
111.11714	11.2
115.23161	1.4
116.98654	2.4
117.07043	3.1
119.08572	18.2
121.06540	4.4
121.10143	32.1
123.08044	4.3
123.11712	33.6
125.09642	2.5
127.03952	9.4
131.08597	3.0
133.10141	12.1
134.44609	1.6
135.11691	11.7
137.09630	3.5
137.13264	11.4
139.11174	17.2
145.05074	1.9
145.10155	5.6
147.08099	1.5
147.11670	18.6
149.13223	9.8
151.11172	18.2
151.14801	2.0
153.12743	14.1
159.11682	4.3
161.09549	2.0
161.13271	4.5
163.03934	2.7
163.11232	2.1
163.14813	4.5
165.12750	27.3
167.14368	2.6
169.12207	4.1
173.13261	2.6
175.14874	3.1
177.12727	1.8
177.16389	2.0
179.14250	2.1
183.13800	2.0
187.05994	3.4
187.14848	2.1
189.16365	2.8
191.17973	2.4
193.15891	1.9
201.16431	2.0
215.17813	1.7
245.22697	2.4
271.24258	5.7
276.11090	2.6
277.25092	2.9
289.18066	5.0
289.25198	22.2
307.09692	2.3
307.26303	46.0
308.18851	2.0
308.26569	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	307.263
Annotation	Trixagodiol A
Peak:m/z	Relative Intensity
55.05507	13.1
57.07058	4.4
65.03939	2.8
65.78485	2.1
67.05502	95.5
68.17338	2.3
69.07055	9.9
71.04980	3.2
71.58030	3.8
79.05496	15.9
81.03409	3.0
81.07053	100.0
82.07389	3.5
83.08612	10.4
85.06523	3.1
88.67094	2.4
91.05487	8.0
93.07030	15.8
95.04942	3.2
95.08602	89.7
97.06548	3.7
97.10132	5.7
97.85336	2.3
99.08049	2.7
105.07024	9.4
107.08606	12.9
109.06520	3.2
109.10156	37.7
110.10525	2.3
117.07025	4.2
119.08591	8.7
120.84703	2.4
121.06501	4.2
121.10132	9.0
123.11674	16.1
125.09653	3.0
130.83937	2.2
131.08595	5.5
133.10168	3.9
135.11714	4.8
137.05949	3.8
137.09598	5.1
137.13255	9.5
145.10094	4.6
147.11682	4.5
149.13284	3.0
151.11189	5.3
151.14861	4.6
156.71783	2.4
159.11729	3.6
160.17618	2.7
161.13263	4.7
172.21552	2.3
180.24402	2.5
205.86713	2.5
223.16971	3.3
275.20071	4.9
289.25110	5.5
307.13116	6.4
307.22656	22.6
307.26294	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	307.2632
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
55.01881	4.2
55.05512	22.7
57.07061	17.2
67.05507	34.5
69.07066	52.3
69.57613	3.5
69.99722	21.7
71.04985	6.1
73.06557	29.3
75.28427	3.8
79.05495	24.7
81.07057	77.1
83.04964	8.8
83.08591	12.3
85.06538	12.1
91.05461	20.2
93.07034	37.0
94.51581	3.8
95.04962	10.0
95.08610	77.7
97.06534	35.4
97.10175	8.0
99.08081	9.3
105.07034	31.1
107.04949	8.6
107.08589	73.7
109.06540	8.3
109.10144	58.6
111.08115	7.9
111.11699	5.3
113.06013	26.4
113.09626	7.9
115.06792	6.5
115.07571	100.0
117.07047	7.6
119.08577	43.9
121.02854	6.6
121.06519	5.6
121.10143	38.8
123.08051	7.3
123.11706	28.0
125.09637	7.4
127.11099	4.3
131.08542	9.8
133.10127	31.6
135.11708	28.1
137.05986	22.5
137.09602	5.4
137.13242	16.4
138.06308	18.2
139.11179	5.5
145.10132	12.9
147.11700	28.4
148.46025	4.6
149.09683	5.7
149.13260	20.7
151.11162	6.2
159.07968	4.5
159.11682	9.2
161.13264	30.0
163.14787	16.8
165.12741	7.0
169.28267	4.4
173.13232	8.1
175.14758	12.5
177.16345	7.4
179.14192	7.6
187.14806	11.3
189.16399	6.0
191.17941	12.1
194.11763	5.5
195.12083	11.1
201.16347	22.1
203.17999	6.0
215.17897	9.6
217.19556	21.7
219.17397	5.8
233.98351	4.3
247.88689	3.8
251.18285	13.1
261.03201	4.4
271.24225	28.3
275.20047	15.9
289.18314	4.9
289.25275	41.6
307.09726	5.7
307.13138	8.0
307.22919	8.5
307.26215	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03946	4.6
55.01871	6.3
55.05300	2.9
55.05512	33.9
56.96569	3.6
57.03423	8.0
57.07081	15.1
59.04998	63.7
64.42020	2.2
65.03946	6.1
67.05502	63.8
69.03445	5.9
69.07068	23.6
69.37803	19.7
69.38223	6.6
70.04061	3.2
70.06601	3.1
71.04994	22.1
71.08628	2.7
79.05491	68.6
81.03416	7.0
81.07057	61.0
83.04971	11.7
83.08607	12.4
85.06512	6.3
91.05476	100.0
93.07040	73.2
93.07626	3.7
95.04945	16.0
95.08607	54.6
97.06533	20.2
97.10143	14.7
98.20707	3.2
98.98477	2.9
99.08081	4.0
101.06049	3.9
102.46415	2.7
105.07026	74.1
107.04942	2.9
107.08589	54.4
109.06527	11.9
109.10140	20.4
111.08051	3.3
115.11197	10.5
117.07021	17.9
117.09149	4.1
119.08578	77.2
121.02860	5.8
121.06535	7.7
121.10133	48.7
123.08044	16.1
123.11723	7.7
125.09605	6.3
129.06998	9.0
131.08569	57.5
133.10130	68.5
135.08054	6.5
135.11716	18.8
137.05963	3.9
137.09621	14.0
139.11148	3.6
141.07051	2.7
141.08972	2.8
143.08554	9.8
145.10103	38.0
147.08018	3.9
147.11681	28.7
149.09679	13.3
149.13257	7.1
151.11189	6.2
155.08569	4.0
157.10123	21.3
159.08015	5.3
159.10487	2.9
159.11636	16.5
161.09633	3.1
161.13277	14.6
163.03816	3.3
163.11182	7.3
169.10176	7.7
171.11719	17.2
173.11917	2.7
173.13268	12.0
173.15364	5.0
175.11140	5.7
175.15022	2.6
175.47108	2.7
177.12701	5.3
183.11673	3.1
183.90492	2.7
185.13263	4.0
187.11053	3.3
187.14758	4.9
189.16475	5.0
191.14211	4.9
193.12053	3.4
197.13275	5.0
201.12827	3.9
207.13782	2.9
213.05544	3.2
213.16362	2.9
215.18027	3.1
223.73087	3.0
229.19350	3.6
231.17555	3.4
239.18027	15.4
243.08894	3.6
257.18973	22.7
261.03360	3.0
261.18414	3.2
263.20111	8.8
271.16864	4.3
275.20035	36.9
277.21637	9.5
289.18024	17.3
289.21613	58.9
290.21887	2.8
307.09741	4.9
307.19009	11.9
307.22717	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.17768	1.6
53.03941	6.1
55.01870	16.7
55.05266	2.2
55.05512	27.6
55.58710	1.5
56.96550	4.5
57.03420	6.1
57.07056	2.6
57.88324	1.6
59.04977	2.5
65.03948	2.6
67.05170	2.5
67.05505	35.1
69.03413	4.6
69.07063	20.3
69.61728	10.4
70.04056	3.1
70.06594	17.5
71.04970	5.3
71.06908	4.4
75.44031	1.4
79.05059	2.9
79.05489	44.2
81.03424	8.4
81.07055	55.9
83.04985	8.3
83.08610	21.3
85.02924	1.9
85.06519	4.0
91.05477	35.3
92.05784	2.3
93.07042	37.3
94.44363	1.6
95.04959	14.8
95.08605	31.9
97.02857	2.4
97.06526	22.0
97.10165	11.0
98.59176	1.7
99.08089	2.0
103.05430	2.1
105.07022	33.4
106.07374	1.6
107.04956	20.5
107.08591	44.5
107.28912	1.6
108.08790	1.8
109.06506	20.2
109.10144	12.5
111.04430	1.9
111.08085	6.6
117.07014	12.0
118.02364	1.5
119.08571	32.7
121.02876	4.9
121.06522	8.8
121.10126	18.5
123.08086	8.8
123.11684	5.1
125.09637	12.6
128.06187	2.1
129.07045	3.5
131.08565	17.1
133.06502	2.2
133.10143	18.4
135.08038	8.7
135.11639	9.9
137.09625	7.5
137.13251	2.9
139.11151	2.9
141.06947	1.9
143.08569	3.6
145.10123	17.4
147.08101	2.8
147.11700	13.5
148.12120	1.9
149.09601	14.2
149.13243	4.5
151.11185	5.2
153.09088	4.9
155.08546	4.0
157.10121	5.2
159.08032	3.3
159.11684	12.9
161.13217	5.6
163.03941	3.4
163.07607	1.8
163.11206	16.4
163.14754	2.2
165.09116	2.3
165.12732	3.9
169.10104	6.1
171.11765	3.7
173.09544	2.5
173.13231	5.2
175.11229	4.4
177.12724	5.6
179.14250	2.5
183.11736	2.5
185.13278	2.4
186.55663	1.7
187.11156	2.8
187.14815	3.8
191.14268	2.6
197.13263	4.9
201.12737	2.2
203.12747	9.4
215.17841	1.7
219.17467	2.2
221.41454	1.7
229.19453	5.1
233.15334	4.5
239.17911	8.1
247.20598	5.8
257.18997	16.6
271.16867	3.9
275.20059	100.0
276.20404	6.3
289.17999	11.2
289.21503	7.2
289.24829	2.6
307.09528	4.5
307.19049	10.2
307.22681	30.7
307.26346	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01871	2.4
55.05262	1.2
55.05507	12.8
57.03421	1.2
57.07066	2.0
59.04997	3.2
63.48265	1.0
65.03944	1.1
67.05506	16.3
69.03407	1.7
69.07069	12.8
70.06590	74.5
71.04990	9.2
71.06297	2.1
71.06922	19.4
73.06544	2.3
79.05489	17.7
81.07056	23.3
83.04984	1.7
83.08606	4.9
85.06522	2.6
86.09706	2.1
87.08091	1.8
91.05475	24.3
93.07040	25.1
95.04953	5.8
95.08608	15.7
97.06532	8.4
97.10171	2.3
98.21448	2.5
98.98464	1.6
99.08092	1.4
103.05450	1.2
105.07024	30.8
107.04966	1.5
107.08589	15.1
109.06508	12.1
109.10145	9.0
110.07330	1.6
111.08075	2.6
116.41291	1.0
117.07024	7.2
119.08574	24.7
121.02879	3.2
121.06487	6.7
121.10126	12.1
123.08063	10.6
123.11726	3.9
125.09634	2.6
131.08566	11.2
133.10129	16.9
135.08049	6.9
135.11650	5.7
137.09604	7.9
139.11150	1.9
141.06961	1.4
143.08534	2.1
145.10120	9.9
147.08005	2.0
147.11673	13.9
149.09601	6.7
149.13338	2.5
151.11189	15.5
157.10115	2.1
159.08107	1.9
159.11707	5.7
161.13275	3.5
163.07497	1.2
163.11185	6.9
163.38281	1.0
165.12744	8.5
169.10008	1.5
171.11679	3.0
173.13293	4.4
177.12762	2.6
179.14275	2.1
183.11650	1.3
187.11322	1.4
187.14743	1.5
189.12662	1.5
191.14293	1.8
191.32884	1.2
197.13226	4.2
213.05515	1.8
213.16295	1.5
229.19531	4.7
233.15419	1.9
237.14923	1.3
239.17995	7.3
247.20535	3.2
249.18852	1.7
257.19058	8.5
275.20050	38.7
289.17996	3.3
289.21552	2.9
289.25323	3.0
307.09613	3.6
307.19513	4.1
307.22687	100.0
307.27951	11.7
308.22974	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.0
55.01881	22.9
55.05514	69.6
55.09637	3.6
57.03440	6.2
62.27043	3.9
63.81449	3.4
65.03934	4.3
67.05506	67.3
69.03425	6.3
69.07071	30.3
71.03862	4.4
71.04196	7.7
71.04996	8.2
79.05499	100.0
79.05965	5.8
81.03421	15.7
81.07058	63.5
83.04990	30.0
83.08619	28.6
91.05482	46.7
93.07046	64.8
95.01334	4.0
95.04965	13.5
95.08591	26.9
97.06546	17.2
97.10172	47.0
105.07052	51.7
107.04962	40.3
107.08591	94.1
109.06511	9.5
109.10157	21.0
111.08078	6.7
116.66752	4.7
117.07052	14.9
119.08601	37.7
121.06509	4.1
121.10123	26.5
123.08099	6.5
123.11714	10.6
125.09630	72.3
127.22205	4.1
131.08578	19.9
133.10115	34.9
135.08067	21.3
135.11703	10.2
137.09517	4.4
141.07085	4.8
145.10136	16.1
147.11694	19.4
149.09615	81.8
151.11087	4.6
153.09116	15.6
157.10112	5.8
159.11729	14.5
161.13318	5.3
169.12305	4.9
169.39539	4.1
171.11655	7.6
173.11821	6.6
173.13344	10.3
177.12714	10.3
183.34877	3.3
191.14351	4.0
203.12787	54.3
209.15387	16.9
211.20250	3.9
219.17523	6.6
220.70923	3.4
225.91467	3.4
247.20723	5.1
257.18909	20.0
275.20068	93.5
276.20877	3.7
294.71478	4.0
307.22757	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	307.2267
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03941	8.0
55.01857	11.1
55.05302	2.2
55.05515	25.9
57.03421	5.3
57.07069	3.6
59.04995	3.0
59.66444	2.7
65.03924	4.5
67.05507	81.5
69.03410	3.7
69.06789	2.5
69.07076	30.7
69.68714	17.8
71.04997	18.7
73.06587	2.5
79.05064	5.0
79.05495	66.8
81.03417	6.7
81.07058	100.0
83.04983	23.5
83.08618	17.5
85.06525	10.9
91.05481	63.1
93.07037	65.2
95.04977	29.1
95.08608	58.5
97.06523	35.0
97.10166	7.7
98.98479	2.9
99.08077	5.6
105.07027	55.3
107.04941	6.0
107.08604	41.0
107.98254	2.5
109.06532	33.5
109.10136	15.1
111.04435	3.6
111.08087	9.0
117.07037	13.2
119.08585	43.1
120.03710	2.2
121.02833	4.3
121.06470	5.4
121.10146	32.2
123.08067	44.3
123.11706	12.8
125.09608	7.8
128.06140	2.6
129.06929	5.2
131.08562	22.3
133.10139	30.2
135.08057	8.1
135.11659	18.1
137.05992	25.9
137.09602	19.1
138.06320	19.4
143.08545	5.0
145.10118	19.3
147.11681	28.4
149.09581	4.7
149.13266	5.3
151.11156	14.2
157.10106	5.4
159.07996	2.4
159.11699	9.4
161.13237	10.9
163.11145	5.6
165.12761	6.2
169.10132	3.1
171.11682	12.8
173.13257	9.1
175.11252	3.3
175.14865	3.1
177.12802	4.5
179.14342	5.0
183.11716	4.2
189.12714	5.9
197.13271	3.2
211.14882	3.2
213.16458	2.7
219.17560	2.8
239.17870	3.8
257.18991	10.5
263.20059	3.4
271.16837	3.2
275.20038	21.3
289.18390	3.8
289.21588	22.4
307.09494	4.0
307.19086	8.9
307.22665	85.5
307.26404	4.4
307.27872	3.4
308.23016	5.0
324.72769	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03939	2.2
55.01872	14.9
55.05259	1.8
55.05510	24.5
57.03431	3.6
57.07072	1.3
59.04998	1.3
65.03935	1.5
67.05505	26.5
68.05836	1.2
69.03425	3.5
69.07063	15.2
70.07387	2.1
71.04989	2.5
71.59132	1.2
73.06564	1.5
79.05492	47.0
80.05845	0.9
81.03423	1.1
81.07056	30.4
82.07384	1.6
83.04980	5.5
83.08611	13.7
85.06551	3.4
91.05476	28.9
92.05784	1.1
93.07041	31.9
95.04971	7.0
95.08607	21.6
97.06529	20.1
97.10166	24.5
98.06052	2.9
98.98486	1.1
99.06391	1.2
104.48477	1.0
105.07032	31.8
106.07326	1.3
107.04950	10.5
107.08591	100.0
108.08923	3.1
109.06524	6.7
109.10149	12.5
111.08079	3.4
115.07565	3.5
117.07018	6.7
119.08579	17.9
121.02795	1.9
121.06505	3.4
121.10139	13.8
123.08049	3.2
123.11716	3.7
124.03679	1.2
125.09636	24.4
129.06999	2.1
131.08568	9.0
133.06441	1.1
133.10124	19.7
135.08060	9.2
135.11667	10.3
137.05957	4.8
137.09628	3.6
137.13257	1.9
138.06291	3.2
141.07082	1.4
143.08565	2.5
143.10703	1.1
145.10117	16.5
147.08035	1.1
147.11670	12.0
149.09610	16.6
149.13266	3.1
151.11188	3.5
153.09120	7.5
153.12718	1.3
155.08496	1.4
157.10139	3.0
157.12260	2.4
159.11705	9.5
161.09637	1.0
161.13261	5.3
163.11212	4.5
163.16524	1.0
165.09204	1.5
165.12744	1.5
169.10120	2.7
171.11723	3.6
173.13252	4.6
175.11159	1.3
175.14862	1.9
177.12746	3.0
179.14319	1.1
181.12231	2.7
183.11711	2.2
187.11150	1.8
187.14754	1.5
189.12776	0.9
193.12195	1.5
197.13307	1.4
199.14940	1.0
201.12784	1.2
201.16399	2.0
203.12767	24.0
205.12288	1.3
209.15450	1.3
215.17947	1.6
219.17456	3.8
229.19553	2.8
239.17947	6.5
247.20595	2.7
257.18997	14.3
275.20047	68.3
276.20370	4.1
289.18393	1.5
289.21600	14.8
289.24884	1.0
307.16177	2.0
307.19473	1.3
307.22809	17.5
307.28293	29.0
308.22989	1.3
325.16977	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03951	1.8
54.91473	1.2
55.01865	3.8
55.05503	11.9
57.03437	2.3
57.07062	1.8
67.05501	32.6
69.03404	2.3
69.06719	1.8
69.07065	23.7
70.53880	5.3
71.04977	2.1
71.08603	1.3
77.03954	1.4
79.05494	15.5
81.03406	2.2
81.07049	32.8
83.04964	7.0
83.08617	7.3
85.06508	2.0
91.05468	15.7
93.07037	21.2
95.04958	7.8
95.08604	23.4
97.06516	4.3
97.10152	3.2
99.08127	1.3
105.07028	23.2
107.04952	3.7
107.08595	16.8
109.06501	10.1
109.10143	12.8
111.08075	2.7
113.00002	1.7
114.26843	1.3
117.06995	6.5
119.08576	14.6
121.06519	8.3
121.10139	12.0
123.08057	5.9
123.11719	3.2
125.09576	2.3
129.06927	1.7
131.08563	13.6
133.06483	2.0
133.10129	18.8
135.08047	4.1
135.11653	8.3
137.05980	2.5
137.09607	3.6
137.13280	1.8
143.08546	3.7
145.10118	14.4
147.08023	1.8
147.11665	12.2
149.09601	5.0
149.13242	3.8
151.11194	6.4
153.09091	1.3
157.10107	2.7
159.08028	1.8
159.11699	7.4
161.09621	3.8
161.13206	2.5
163.11176	5.6
163.14694	1.4
169.02663	1.9
169.10077	1.6
171.11662	2.8
173.09550	1.8
173.13257	5.3
175.11169	2.8
177.12752	1.8
179.14342	2.0
183.11707	2.2
187.14928	1.8
189.12852	1.5
191.14264	3.3
197.13115	2.2
201.12758	3.8
205.15900	1.7
207.13834	3.7
214.88303	1.2
215.14410	1.7
215.17780	2.0
219.13808	5.5
229.19392	2.2
236.04829	1.1
239.17918	3.1
247.20566	4.6
257.19046	12.5
265.07037	1.7
275.20044	100.0
276.20468	5.1
289.21564	4.1
307.13147	2.1
307.19022	2.7
307.22650	57.8
307.25754	2.4
308.14679	1.3
308.22913	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2056
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03945	2.6
55.01866	3.3
55.05512	10.1
57.03432	4.5
57.07056	1.9
65.03957	2.6
67.05508	15.2
69.03423	3.7
69.07074	12.1
69.59740	1.5
69.88684	9.4
71.04989	3.0
76.62514	1.4
79.05489	19.2
80.16928	1.5
81.03410	2.0
81.07054	30.8
81.07516	2.1
83.04983	5.6
83.08629	5.7
85.06544	2.1
91.05484	29.7
93.07041	25.3
95.04967	36.2
95.08601	10.3
97.06528	16.2
103.05511	3.5
105.07029	49.2
107.04983	5.3
107.08593	13.2
109.06529	9.3
109.10160	5.1
115.05456	7.5
116.06277	3.5
117.06992	12.8
119.08575	42.6
121.02887	2.3
121.06528	7.3
121.10155	12.9
123.08096	2.3
123.11723	2.8
128.06233	13.1
129.06993	18.3
130.07802	7.5
131.08569	27.5
133.06458	3.9
133.10132	65.3
135.08096	2.6
135.11722	3.8
141.06927	9.7
142.07782	19.9
143.08563	44.2
144.09344	8.8
145.06490	12.1
145.10132	26.6
146.07253	2.2
147.08061	7.2
147.11717	7.1
149.09619	4.9
153.07005	3.7
154.07785	8.4
155.08531	11.0
156.09332	12.7
157.10139	30.9
157.11319	2.9
158.10919	8.3
159.08070	4.7
159.11694	24.3
161.09608	11.4
164.73367	1.6
165.06999	4.6
166.07825	3.9
167.08577	20.2
168.09361	5.7
169.10117	28.4
170.10966	5.4
171.11678	20.5
173.09740	2.3
173.13249	16.3
175.11176	2.1
177.09143	1.9
179.08534	9.9
180.09335	4.6
181.10123	14.7
182.10928	25.3
183.11708	13.6
184.12532	3.4
185.09746	2.7
185.13264	4.7
187.11189	6.2
192.09361	5.4
193.10127	12.5
194.10909	11.9
195.11699	14.4
196.12442	7.6
197.13264	29.0
198.13989	3.8
199.11217	1.9
199.14798	7.9
203.08627	3.2
204.09477	3.3
205.10187	4.3
206.10910	11.3
207.11696	19.3
208.12396	9.3
209.13248	21.1
210.13933	2.4
211.14769	13.6
213.12793	2.4
215.08556	2.6
215.14224	1.9
217.10178	4.6
218.10934	7.5
219.11673	9.3
220.12520	7.2
221.13278	26.2
222.14052	5.3
223.14851	15.9
225.16463	4.0
227.14392	2.3
229.10179	3.9
231.11787	5.0
232.08908	2.3
232.12286	3.6
233.13280	14.5
234.14056	10.1
235.14848	6.9
236.12015	2.9
236.15691	2.4
237.12892	3.6
237.16422	6.8
244.12541	5.7
245.13249	5.1
246.14081	3.3
247.11066	2.1
247.14871	7.3
248.15596	9.5
249.12637	1.8
249.16460	7.4
251.14404	7.3
251.18103	4.6
259.14801	13.4
260.15494	2.4
261.16495	3.9
263.17944	19.7
265.15973	2.3
274.17130	11.5
275.10742	3.4
277.16010	2.0
279.21094	6.5
289.19711	19.2
292.18246	2.8
307.10147	3.6
307.13425	6.5
307.20612	100.0
308.20859	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	307.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01878	3.6
55.05510	5.8
57.03459	5.5
62.81694	2.0
65.03954	3.6
67.05508	17.7
67.38226	2.1
69.03444	3.3
69.07063	14.1
70.61469	8.1
76.99856	1.9
79.05490	19.9
81.07062	30.2
83.04983	6.2
83.08631	3.9
85.06534	3.7
87.63406	2.2
91.05481	28.8
93.07033	21.1
95.04968	33.3
95.08622	14.5
97.06548	14.5
98.98474	2.9
103.05421	3.0
105.07032	52.0
107.04955	3.4
107.08593	14.2
109.06513	7.1
109.10133	6.2
111.08092	2.4
115.05448	2.9
117.07027	16.1
119.08589	53.2
121.02906	3.3
121.06519	5.3
121.10143	11.2
123.08071	3.2
123.59606	2.1
128.06209	16.6
129.07019	14.7
130.07823	5.1
131.08563	21.9
132.21593	2.3
133.10126	66.2
133.11081	4.3
141.06984	11.4
141.92792	2.2
142.07790	22.5
143.08568	47.6
144.09377	7.9
145.06497	3.8
145.10149	27.9
147.08058	8.9
147.11726	7.3
149.09576	5.0
151.07700	2.8
154.07826	5.1
155.08531	14.5
156.09354	17.0
157.10127	33.6
158.10910	7.5
159.08054	7.2
159.11691	28.9
161.09650	10.1
165.06972	3.4
167.08588	20.9
168.09326	7.1
169.10133	28.1
170.10939	6.6
171.11681	24.9
173.09618	3.7
173.13304	19.3
178.07744	3.1
179.08554	12.3
180.09323	5.2
181.10107	18.5
182.10890	20.5
183.11700	16.1
184.12529	5.5
185.09583	3.4
185.13199	3.0
187.11221	6.0
191.08447	3.3
192.09430	7.7
193.10121	14.7
194.10953	12.2
195.11711	17.3
196.12482	6.8
197.13260	31.5
198.14076	3.4
199.11230	2.8
199.14857	5.9
203.08461	3.4
205.10112	5.6
206.10870	12.4
207.11739	20.9
208.12544	8.8
209.13269	28.2
210.68886	2.9
211.14847	15.6
215.14290	2.4
217.10158	5.3
218.10820	3.8
219.11734	9.5
220.12531	7.7
221.13208	26.1
222.14076	6.9
223.14848	13.7
225.12462	2.2
225.16414	2.8
227.14439	4.1
229.10153	3.1
230.10870	3.1
231.11710	6.3
232.12502	6.8
233.13242	18.6
234.14040	9.0
235.14880	8.5
236.12129	2.7
236.15523	2.9
237.16336	9.2
239.18042	2.4
244.12660	3.2
245.13347	9.0
246.13954	6.0
247.14897	9.4
248.15614	8.9
249.16412	10.3
250.17276	2.9
251.14423	6.7
251.18033	3.3
259.14789	13.5
260.15509	2.7
261.16293	3.8
263.17960	18.9
265.15939	3.4
268.79364	2.5
274.17233	10.5
279.21213	6.8
289.19666	17.4
292.18335	3.8
307.09705	5.1
307.20593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
55.01874	8.3
55.05510	27.1
57.03442	10.3
59.05004	1.6
65.03954	2.7
65.33389	1.6
67.05508	18.1
69.03430	7.5
69.07081	13.8
69.41965	13.8
71.04972	4.3
79.05120	2.1
79.05500	21.9
81.03407	9.2
81.07055	19.3
83.05000	9.0
83.08617	14.3
85.02901	4.9
85.06542	3.1
91.05479	23.4
93.07041	13.0
95.04965	11.8
95.08621	12.1
97.02903	4.1
97.06537	58.8
97.10175	19.9
99.04453	3.2
103.03948	2.8
105.07034	9.5
107.04960	6.6
107.08602	11.6
109.02899	2.5
109.06526	16.9
109.10136	7.7
111.08103	3.6
117.07033	5.9
119.08553	11.5
121.06508	100.0
121.10158	5.2
123.04425	2.2
123.08078	3.8
123.11765	2.1
125.09627	11.3
127.03899	5.3
129.06996	3.6
131.08562	6.4
133.06482	3.1
133.10136	4.3
135.08058	11.7
135.11688	1.7
137.09612	5.1
141.06891	1.6
145.02882	2.9
145.06535	2.8
145.10155	2.9
147.08075	8.3
147.11674	4.9
149.09616	4.1
149.13216	1.6
151.07555	1.9
155.08507	2.2
157.10077	2.9
159.08060	50.8
159.11673	2.1
161.09598	4.0
163.03905	5.7
163.07523	2.5
165.12727	1.7
169.10106	2.5
171.11690	2.1
173.09631	2.3
175.11176	2.5
177.09181	1.6
185.09659	7.6
186.10083	1.8
187.11153	1.9
189.11240	5.9
191.53752	1.6
193.12210	6.5
197.09740	1.8
199.11148	3.4
211.11232	2.0
211.13297	3.3
215.14313	3.4
233.15414	3.9
243.17465	3.1
247.07803	1.8
253.15857	12.0
261.18414	4.1
264.07803	1.8
266.06619	1.8
271.16959	15.0
289.17987	41.2
307.09567	5.4
307.15930	2.1
307.19061	10.4
307.26337	3.2
327.23798	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.48924	2.2
55.01859	9.3
55.02108	2.3
55.05511	32.7
56.05838	2.5
57.03188	2.6
57.03440	31.2
60.60675	1.9
67.05509	31.5
69.03424	4.7
69.07066	13.9
69.97701	11.4
79.05067	2.4
79.05491	32.6
81.03407	5.9
81.07062	23.7
83.04941	6.8
83.08618	14.5
85.06514	3.2
91.04974	2.2
91.05486	22.8
92.86171	2.5
93.07040	18.7
93.47965	2.1
95.04984	12.2
95.08590	9.5
95.59245	2.2
97.06519	4.4
97.10173	25.8
105.07036	17.5
107.04952	15.4
107.08582	23.6
109.06506	9.5
109.10160	12.8
111.04399	2.7
111.08079	3.6
117.07024	11.6
119.08583	18.1
121.02814	3.3
121.06496	11.8
121.10135	9.9
121.10966	2.0
123.08116	4.9
125.09644	18.3
128.06250	3.0
129.07010	3.9
131.04903	3.9
131.08568	9.0
133.10149	8.2
135.08052	16.6
135.11679	3.2
137.09637	4.5
141.06961	3.9
142.07800	4.9
143.08549	10.1
145.06465	6.3
145.10152	8.1
147.08073	11.3
147.11734	3.1
153.09126	7.1
155.08525	5.0
156.09364	2.2
157.10141	8.2
159.08054	46.8
159.11684	4.8
160.08795	3.7
161.09613	6.8
163.07535	5.5
165.06888	2.6
167.39441	2.1
169.10117	7.2
171.11633	3.6
173.09589	7.2
173.13295	4.8
177.12694	2.4
179.08507	3.6
181.10112	4.7
183.11674	5.2
185.09651	5.3
185.13290	2.4
187.11255	3.9
187.14857	4.1
189.09167	2.4
189.11195	12.7
189.12660	2.8
191.08577	2.3
193.10182	3.5
195.11661	6.6
197.13202	5.1
199.11075	2.7
199.14749	2.3
207.11647	2.6
208.29041	2.2
209.13211	4.5
211.14720	2.5
215.14366	10.4
221.13263	2.9
222.80438	2.3
223.14751	4.5
225.16435	3.1
233.13191	3.8
233.15317	23.8
243.17465	6.6
253.15935	10.2
261.18460	3.0
271.16907	31.5
279.21179	3.7
289.17953	100.0
290.18134	3.6
292.07428	2.6
307.09723	7.3
307.13364	3.7
307.20734	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	307.1289
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.03955	0.4
54.44545	0.5
55.01871	1.3
69.03455	0.6
69.07089	0.8
70.01105	2.5
85.02872	0.6
98.06052	0.9
98.21463	0.5
105.07005	0.6
107.08594	1.1
122.06036	1.6
124.07552	0.7
127.03927	0.7
135.02737	0.5
135.08046	0.9
136.07585	0.8
140.07051	1.9
146.09705	0.7
148.07547	0.7
150.05501	0.7
160.07549	1.3
163.08636	1.0
168.06555	2.4
174.09181	1.9
176.10716	0.6
177.10294	0.9
178.08650	11.5
182.08209	0.9
183.59662	0.4
184.07588	1.2
187.08780	1.1
188.07077	3.1
198.09134	1.2
200.10780	0.5
201.10239	2.8
202.08621	5.1
204.10229	0.5
205.09686	3.2
206.08192	2.0
215.11850	0.7
216.10252	2.0
219.07701	0.9
219.11278	4.1
220.09718	2.1
223.06569	0.6
226.08582	1.5
229.09785	3.6
230.08032	2.3
243.11281	2.0
244.09763	3.7
247.10805	11.0
248.09224	0.9
254.07953	0.7
261.12354	1.1
262.10776	1.8
265.11829	12.7
271.10858	2.2
272.09201	1.0
289.11835	14.3
307.12891	100.0
308.13116	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	307.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09423	0.7
53.03945	2.6
55.01863	2.1
55.05502	1.8
57.03431	1.9
61.02913	0.7
62.25247	0.7
65.03936	1.6
67.05499	3.1
69.03425	5.9
69.07071	3.7
70.29921	2.3
71.04987	2.0
71.79784	0.7
73.02905	1.5
79.05481	3.3
81.03427	6.2
81.07067	5.7
83.04986	5.9
85.02902	12.9
89.03880	0.7
91.05479	100.0
92.05810	1.4
93.07042	2.5
95.04967	2.3
95.07589	0.7
95.08611	3.3
97.02888	7.5
97.06533	1.6
99.04457	6.7
101.02366	0.8
102.22119	0.9
103.03937	10.2
103.05437	1.0
105.03390	13.7
105.07024	2.9
107.04988	2.2
107.08600	2.5
109.02876	4.9
109.03529	0.7
109.06523	1.8
109.10174	2.2
111.04440	11.3
111.08107	1.1
115.03954	0.7
117.03405	1.2
117.07017	4.1
119.04903	0.9
119.08613	1.3
120.08115	3.1
121.10146	1.8
123.04430	2.8
123.11720	1.3
125.05994	2.4
127.03911	9.9
128.06264	2.8
129.06982	12.5
131.04967	1.1
131.08588	5.5
133.06454	1.1
133.10175	1.0
133.36650	0.8
135.04417	5.1
135.08157	0.9
135.11697	1.1
139.11096	0.8
141.05417	3.9
141.07011	2.0
143.08586	1.3
145.02852	1.3
145.04985	3.0
145.06487	4.8
145.10159	0.9
147.04456	0.8
147.08051	3.6
149.05991	0.9
149.13268	0.9
153.05489	5.7
153.06688	0.8
155.01106	0.8
155.08556	1.9
157.06506	3.5
159.08067	2.0
160.05217	1.9
161.13341	0.9
163.03908	7.5
165.07005	1.2
169.06558	1.3
171.06541	17.7
171.08009	1.9
175.07555	8.2
177.05394	0.9
183.08028	1.2
185.05965	1.0
187.06021	6.6
187.07588	11.9
197.09627	1.4
203.07095	1.3
205.07010	1.2
211.07556	1.3
213.09311	0.8
225.09055	1.2
229.08582	4.0
241.08490	1.2
243.10136	0.9
244.13097	0.9
247.09697	2.6
258.96179	0.7
271.09680	2.4
289.10721	10.4
289.17914	1.2
307.08496	2.9
307.11829	13.1
307.19434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01873	4.9
55.05507	2.8
57.03435	2.4
57.07078	1.2
58.14991	0.8
61.02930	1.3
67.05507	2.8
67.92274	0.7
69.03426	12.5
69.07084	2.8
70.06582	1.2
71.04996	2.7
71.59480	1.3
73.02926	1.6
76.47756	0.8
79.05486	2.8
80.35057	0.7
80.75242	0.8
81.03415	14.8
81.07057	6.2
83.04990	1.1
83.08600	1.2
85.02901	22.6
85.06507	1.2
87.04446	0.7
89.03890	0.9
91.05480	3.5
93.07039	4.8
95.04986	1.9
95.08607	3.5
97.02892	8.1
97.06541	1.0
99.04453	13.1
100.84457	0.9
103.03938	21.8
103.05428	1.4
105.03385	1.9
105.07050	2.9
107.04942	1.9
107.08594	3.0
109.02874	9.9
109.06531	2.8
109.10155	2.3
111.04428	0.9
111.08066	2.0
114.01774	0.8
117.03390	1.8
117.07012	0.8
119.08626	2.4
121.06470	2.1
121.10149	1.8
123.04365	1.1
123.11718	1.6
125.06000	1.0
127.03915	30.6
127.20130	0.9
129.07004	1.1
131.04926	3.1
131.08623	1.4
132.10257	1.7
133.10300	1.0
135.04433	3.9
135.08073	1.4
141.88902	0.8
145.02896	1.7
145.04985	7.6
145.06427	1.2
145.10216	1.0
147.08000	1.4
151.11157	1.4
155.04930	0.9
157.06517	1.2
157.10147	1.2
159.11719	1.0
163.03905	17.9
163.06084	1.3
163.07561	1.3
165.06937	4.2
173.13319	1.0
177.06985	0.9
178.07768	1.4
179.08618	2.6
180.09389	1.0
181.06607	1.1
187.06003	5.8
189.07042	6.7
190.07762	10.5
191.08557	12.1
192.09229	0.8
193.06514	2.2
194.07317	1.5
201.07047	1.7
202.07838	3.0
203.08578	2.9
205.06915	5.6
207.08049	7.5
208.08804	5.0
215.08653	0.9
215.10619	1.0
217.08563	0.9
218.07268	12.8
219.08051	22.5
220.08797	3.8
221.06020	6.8
222.06772	0.9
229.06349	1.9
231.08081	2.7
233.09666	1.7
234.06767	1.7
235.07536	7.7
236.08282	9.5
237.09029	1.6
237.14886	1.1
245.05997	1.2
246.06778	7.8
247.07526	27.0
248.08296	6.5
249.05496	2.9
249.09193	1.4
250.06256	1.3
251.07021	1.1
251.10782	2.7
257.05966	1.3
258.06812	0.9
259.07510	4.3
261.09055	7.4
263.06970	7.3
264.07776	17.4
265.08578	2.6
271.08060	1.4
274.06180	9.0
275.07065	13.4
276.07773	2.8
277.04987	1.3
277.08582	1.3
278.09305	1.7
279.06958	1.5
279.10150	12.2
289.08566	9.4
289.17877	1.9
291.06647	1.0
292.07291	7.1
292.10132	1.2
306.26251	1.0
307.09683	100.0
307.19214	2.9
307.26633	12.7
308.10025	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	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12625	1.2
52.41040	1.3
53.03951	8.2
55.01864	3.2
55.05503	5.1
56.96564	1.8
57.03427	4.8
57.07079	2.6
61.02915	5.0
67.05502	6.0
69.03431	26.5
69.07069	8.9
69.86888	6.8
70.06584	6.9
71.05003	8.0
71.06919	1.6
71.08613	1.3
73.02912	4.9
79.05490	4.9
81.03417	32.8
81.07063	11.3
83.04990	2.4
83.08604	4.3
85.02904	76.9
85.06513	3.8
87.04405	1.3
88.07655	2.2
89.07948	1.6
91.03974	1.4
91.05473	5.6
93.07037	9.1
95.04976	4.1
95.08620	9.9
97.02892	23.8
97.06523	3.0
99.04453	42.2
99.05109	2.6
99.08099	1.4
101.05984	1.5
103.03943	68.6
103.05408	2.1
105.07020	6.5
107.04905	2.7
107.08587	5.0
109.02878	26.9
109.06527	2.8
109.10146	4.8
111.08063	2.7
117.06997	2.3
119.08567	4.0
119.76707	1.2
121.06493	3.2
121.10160	3.8
123.08069	1.9
123.11716	2.7
125.09634	2.0
127.03917	100.0
131.08578	3.7
132.10242	1.8
133.10173	2.7
135.04410	4.6
135.11717	2.6
137.05989	1.5
137.13293	2.5
139.11130	1.8
144.65927	1.5
145.02855	2.6
145.04976	23.7
145.10185	3.0
146.11855	1.5
147.11653	2.5
149.13234	1.8
150.44652	1.4
151.07552	1.6
159.11705	3.3
163.03914	21.3
163.06035	5.2
173.09621	1.7
175.14845	1.8
176.32765	1.6
187.06015	19.0
200.20103	2.6
201.20404	4.0
205.07048	12.0
244.22733	2.7
245.23062	13.6
253.07210	1.8
259.09705	3.4
263.14273	1.7
264.07858	3.3
271.08160	3.0
271.17029	2.1
289.17966	5.2
292.07281	1.5
306.26498	2.6
307.09488	9.7
307.15323	3.0
307.18823	7.6
307.26657	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01873	4.9
55.05507	2.8
57.03435	2.4
57.07078	1.2
58.14991	0.8
61.02930	1.3
67.05507	2.8
67.92274	0.7
69.03426	12.5
69.07084	2.8
70.06582	1.2
71.04996	2.7
71.59480	1.3
73.02926	1.6
76.47756	0.8
79.05486	2.8
80.35057	0.7
80.75242	0.8
81.03415	14.8
81.07057	6.2
83.04990	1.1
83.08600	1.2
85.02901	22.6
85.06507	1.2
87.04446	0.7
89.03890	0.9
91.05480	3.5
93.07039	4.8
95.04986	1.9
95.08607	3.5
97.02892	8.1
97.06541	1.0
99.04453	13.1
100.84457	0.9
103.03938	21.8
103.05428	1.4
105.03385	1.9
105.07050	2.9
107.04942	1.9
107.08594	3.0
109.02874	9.9
109.06531	2.8
109.10155	2.3
111.04428	0.9
111.08066	2.0
114.01774	0.8
117.03390	1.8
117.07012	0.8
119.08626	2.4
121.06470	2.1
121.10149	1.8
123.04365	1.1
123.11718	1.6
125.06000	1.0
127.03915	30.6
127.20130	0.9
129.07004	1.1
131.04926	3.1
131.08623	1.4
132.10257	1.7
133.10300	1.0
135.04433	3.9
135.08073	1.4
141.88902	0.8
145.02896	1.7
145.04985	7.6
145.06427	1.2
145.10216	1.0
147.08000	1.4
151.11157	1.4
155.04930	0.9
157.06517	1.2
157.10147	1.2
159.11719	1.0
163.03905	17.9
163.06084	1.3
163.07561	1.3
165.06937	4.2
173.13319	1.0
177.06985	0.9
178.07768	1.4
179.08618	2.6
180.09389	1.0
181.06607	1.1
187.06003	5.8
189.07042	6.7
190.07762	10.5
191.08557	12.1
192.09229	0.8
193.06514	2.2
194.07317	1.5
201.07047	1.7
202.07838	3.0
203.08578	2.9
205.06915	5.6
207.08049	7.5
208.08804	5.0
215.08653	0.9
215.10619	1.0
217.08563	0.9
218.07268	12.8
219.08051	22.5
220.08797	3.8
221.06020	6.8
222.06772	0.9
229.06349	1.9
231.08081	2.7
233.09666	1.7
234.06767	1.7
235.07536	7.7
236.08282	9.5
237.09029	1.6
237.14886	1.1
245.05997	1.2
246.06778	7.8
247.07526	27.0
248.08296	6.5
249.05496	2.9
249.09193	1.4
250.06256	1.3
251.07021	1.1
251.10782	2.7
257.05966	1.3
258.06812	0.9
259.07510	4.3
261.09055	7.4
263.06970	7.3
264.07776	17.4
265.08578	2.6
271.08060	1.4
274.06180	9.0
275.07065	13.4
276.07773	2.8
277.04987	1.3
277.08582	1.3
278.09305	1.7
279.06958	1.5
279.10150	12.2
289.08566	9.4
289.17877	1.9
291.06647	1.0
292.07291	7.1
292.10132	1.2
306.26251	1.0
307.09683	100.0
307.19214	2.9
307.26633	12.7
308.10025	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	307.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05007	1.5
53.03940	8.0
55.01857	4.7
55.05499	4.9
56.96558	2.3
57.03421	7.0
57.07063	4.1
61.02909	3.3
62.55756	1.7
63.59585	1.8
67.05490	6.8
69.03427	28.9
69.07064	9.9
70.06608	8.2
70.82845	1.7
71.05003	9.0
71.06924	2.5
73.02911	6.8
79.05486	7.1
81.03417	37.6
81.03862	1.5
81.07047	14.9
83.04987	3.0
83.08635	4.1
85.02903	80.6
85.06545	3.3
86.03223	1.7
88.07632	2.7
89.07914	1.7
91.05466	9.0
93.07052	7.4
95.04967	4.1
95.08617	11.5
97.02900	26.9
97.06514	4.7
97.10152	1.9
99.04457	41.6
99.08028	1.7
103.03944	74.5
105.07018	6.4
107.08613	8.8
109.02886	29.2
109.06500	3.1
109.10162	7.1
111.08076	2.8
117.06995	2.4
119.08584	5.7
121.06525	2.7
121.10136	4.6
123.08046	2.6
123.11693	4.6
127.03918	100.0
127.07530	2.0
128.04279	1.8
131.08546	3.6
132.10207	2.7
133.10129	2.4
135.04419	6.5
135.11658	2.1
137.09642	2.3
137.13275	2.6
139.11116	2.6
145.02870	3.5
145.04944	24.3
145.10097	2.7
146.11708	1.9
147.11768	3.3
149.09531	2.9
149.13258	2.6
159.11702	2.1
163.03912	29.3
163.06026	6.9
174.49254	1.6
187.06015	17.9
187.11224	3.6
200.20065	4.1
201.20393	6.8
205.07069	10.4
219.08060	2.5
244.22667	3.2
245.23067	14.5
247.07463	2.4
248.08133	2.2
259.09653	1.8
264.07813	4.4
271.08157	3.7
271.16864	3.3
279.10043	2.4
289.17963	5.3
289.25287	1.9
301.27191	1.7
306.26422	3.0
307.09830	9.5
307.19150	11.2
307.26645	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.01868	1.4
55.05494	0.8
57.03431	4.3
58.44059	0.4
59.14039	0.4
61.02932	2.2
65.10850	0.4
65.11210	0.4
65.43867	0.4
69.03429	24.0
71.01350	0.6
71.04995	6.4
71.58286	0.8
73.02912	3.4
81.03417	23.8
81.07055	0.5
83.01310	0.6
83.04984	0.8
85.02905	75.5
86.03233	1.0
87.04458	0.6
91.03946	0.7
91.05457	0.6
97.02896	19.9
98.97584	0.6
99.04456	41.0
100.04823	0.7
101.02394	0.8
103.03942	82.1
104.04291	1.2
109.02882	20.4
115.03931	1.0
127.03916	100.0
128.04234	1.7
139.03841	0.6
145.04962	31.5
163.06021	9.0
164.95667	0.5
167.17047	0.4
169.05049	0.5
184.69522	0.5
186.54483	0.4
187.06012	15.3
196.09953	0.5
205.07083	9.8
253.07108	1.0
271.08185	2.3
284.08710	0.6
289.09106	0.5
307.09683	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	307.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01866	1.9
55.05489	0.7
57.03440	4.1
57.60709	0.7
60.06849	0.8
61.02921	3.4
63.01560	0.8
67.80958	0.9
69.03428	27.5
70.06019	3.6
71.05001	6.2
72.15179	0.9
73.02903	3.5
74.26912	0.8
80.12049	0.8
81.03419	31.8
81.07065	1.6
82.03787	0.8
85.02905	75.4
87.04453	1.5
89.03919	1.2
91.05457	0.9
95.08604	1.3
97.02895	20.7
99.04456	42.5
100.40586	0.8
103.03942	79.4
105.06992	0.9
106.61058	0.8
107.04971	0.9
109.02875	22.3
115.03945	0.8
117.03355	1.6
119.08550	0.9
123.11658	1.1
124.07570	1.3
127.03915	100.0
128.04265	1.3
135.04396	3.2
145.02861	1.6
145.04955	29.3
145.64525	0.8
163.03914	20.0
163.05963	7.8
187.06009	14.8
188.06244	0.9
205.07089	9.9
271.08084	1.5
289.09006	1.4
304.93118	0.9
307.07959	5.3
307.20172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01861	1.2
56.96558	1.1
57.03434	4.3
59.06123	1.4
60.04520	1.2
61.02916	3.5
67.05508	1.4
69.03426	28.7
69.84884	5.0
70.06575	2.5
71.04992	7.6
73.02916	4.3
81.03415	26.7
81.07066	1.9
82.03767	0.8
84.04498	1.5
84.08143	1.3
85.02905	78.4
85.06551	0.9
86.09698	2.4
87.04458	0.8
90.60287	0.8
91.03922	1.1
91.05463	2.4
93.07089	1.2
95.04945	1.2
95.08530	0.9
97.02886	22.0
98.98460	1.3
99.04455	41.3
101.02400	1.7
103.03938	85.5
104.04254	1.8
105.03365	2.7
107.08604	1.1
109.02876	23.7
109.10152	1.0
115.03922	1.5
116.07096	0.9
116.98669	1.1
119.04929	1.2
120.08075	0.7
127.03912	100.0
128.04224	2.1
145.04958	29.9
147.04411	2.5
151.11165	1.0
163.05997	10.2
164.05623	0.9
172.95145	1.4
187.06000	17.1
205.07074	12.3
210.06197	0.9
212.82413	0.9
220.09697	1.1
253.07059	1.1
263.13940	1.6
271.08145	3.5
289.17917	0.9
307.06393	1.2
307.10089	1.2
307.17737	3.0
325.07373	1.3
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
53.03932	5.6
55.01871	1.9
55.05511	2.2
56.96571	2.0
57.03442	5.9
60.04530	1.4
61.02910	4.4
66.03698	1.2
67.05494	2.2
67.24934	1.2
69.03075	1.9
69.03431	25.9
69.07071	2.0
69.99193	1.2
70.06594	4.8
71.04990	8.6
71.58323	1.6
73.02917	6.3
74.06046	1.4
74.26648	1.2
79.05475	2.8
81.03413	28.8
81.07057	3.3
83.04951	1.7
83.57401	1.2
84.04485	1.3
84.08109	2.0
85.02901	79.2
85.06531	2.8
86.03204	1.2
86.09700	9.0
87.04457	1.5
91.03954	1.2
91.05475	3.5
92.56609	1.2
93.07020	2.4
95.04977	2.4
95.08572	1.9
97.02888	22.8
98.98463	2.3
99.04450	44.3
103.03935	78.3
105.07024	1.9
107.04961	1.4
109.02869	25.7
111.04403	1.6
116.07128	1.4
117.03404	2.2
119.08602	1.6
121.06485	1.4
123.04419	1.2
125.06044	1.3
125.09544	1.7
127.03910	100.0
128.04234	2.0
130.04955	1.2
134.99654	1.9
136.06177	1.3
145.02864	2.4
145.04947	30.2
145.06166	1.5
147.04384	2.3
154.94165	1.6
161.05893	1.2
163.03911	3.0
163.06013	8.3
172.95226	3.7
177.05426	3.7
181.27788	1.4
187.06029	11.2
190.96298	3.3
205.07042	10.3
228.78546	1.3
235.13278	1.5
237.03105	1.3
245.12823	2.5
246.11237	3.6
253.14363	1.7
263.13937	8.6
271.08081	3.4
307.05716	1.6
307.13333	3.5
325.07291	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	307.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76696	3.3
69.65554	19.8
69.65973	7.5
84.08138	9.9
91.22951	3.0
94.93002	3.5
98.20808	4.4
111.25317	3.2
119.01929	9.2
129.04056	3.2
132.08406	16.6
164.74039	3.8
193.00276	4.6
202.89119	43.4
232.90140	11.3
247.02936	8.8
307.04138	7.7
307.07678	100.0
307.16879	4.3
308.08072	7.7
313.58206	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	307.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	55.4
69.03440	11.9
70.98138	9.3
71.57867	7.1
79.05457	4.8
79.45850	4.6
81.03409	5.9
85.02908	20.8
86.09698	6.3
88.99155	5.8
92.81812	5.4
94.05072	5.1
97.02892	16.6
98.97604	43.9
101.00895	11.8
103.00581	4.7
110.97581	12.0
115.02408	4.9
116.98638	39.3
119.01930	44.0
124.95533	5.9
128.98634	14.5
133.03494	11.8
134.99681	17.1
137.03011	13.3
146.99664	13.3
157.03438	6.8
161.02995	26.8
163.02835	9.7
165.00748	13.1
172.97629	8.3
173.02972	7.2
175.04620	4.6
177.00749	11.5
181.03844	6.0
187.00914	15.0
187.02701	4.9
188.97148	28.8
189.00706	7.3
190.98650	21.0
202.98669	11.4
205.00179	11.3
205.01984	8.1
205.05493	6.4
206.98137	17.5
208.99915	6.3
215.00351	12.7
218.08458	4.8
219.01788	10.3
220.99765	12.1
221.05081	7.0
223.01205	9.1
229.02007	7.0
230.98193	10.9
232.99767	13.6
237.02843	17.1
247.02968	26.7
247.06793	6.1
248.99182	7.9
251.00772	30.0
261.03067	6.5
263.00769	20.0
281.01910	7.5
289.04102	10.9
293.01852	5.2
307.07889	100.0
307.11081	8.7
308.62933	4.9
325.08014	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	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74311	0.2
55.01859	0.3
55.05512	0.5
56.96567	0.2
57.07068	0.2
59.04981	0.2
65.03921	0.2
67.05504	0.4
68.05022	0.4
69.03429	0.3
69.07072	0.5
70.06592	100.0
71.06927	0.7
71.57037	0.2
71.59692	0.1
73.02913	0.2
75.29929	0.2
76.70107	0.2
79.05486	0.6
80.37909	0.2
81.07056	0.7
83.08585	0.2
84.04523	0.3
85.02907	0.3
85.06538	0.3
88.07656	0.4
88.54919	0.1
90.11172	0.2
91.05495	0.8
93.07067	0.5
94.07373	0.2
95.04954	0.3
95.08623	0.8
97.06553	0.2
103.05485	0.3
105.07018	0.8
107.04943	0.4
107.08598	0.6
108.08940	0.2
109.06522	0.6
109.10175	0.5
111.04508	0.3
115.05489	0.2
119.08593	0.6
119.09397	0.2
121.02901	1.3
121.06527	0.2
121.10152	0.4
121.68540	0.1
123.08083	0.2
129.07002	0.4
131.04922	1.2
131.08568	0.4
132.05800	0.2
133.06522	0.3
133.10138	0.4
135.08028	0.2
137.05981	0.4
137.09654	0.3
143.08623	0.2
145.06461	1.0
145.10101	0.3
146.07268	0.3
147.11682	0.2
149.09662	0.2
151.07597	0.2
151.49533	0.2
157.06467	0.2
159.11739	0.3
161.05977	0.7
161.13202	0.2
162.06288	0.2
163.03845	0.3
163.07390	0.2
169.06506	0.3
171.08037	0.3
173.13367	0.2
174.07640	0.3
185.05940	0.2
189.06975	0.2
190.07741	0.3
191.08475	0.3
192.09256	0.3
193.11879	0.1
202.07748	1.3
203.08560	1.9
204.09195	0.7
213.05542	0.3
215.08571	0.9
216.09207	0.3
217.10110	0.4
218.07127	0.2
219.08034	0.8
220.08797	1.4
221.09584	0.2
226.07825	0.2
228.09137	0.2
230.07190	0.5
231.08066	2.6
232.08687	1.4
233.09520	0.6
234.10136	0.3
235.07538	0.3
235.11195	0.9
236.08272	0.2
242.07240	0.2
243.08026	1.3
244.08679	0.3
245.09599	2.4
246.06526	0.2
246.10165	1.0
247.07602	0.7
247.10841	0.7
248.08289	2.3
249.08888	0.5
257.09625	0.3
258.06818	0.4
259.07513	2.2
260.08188	2.0
261.09009	0.7
262.09708	1.1
263.10681	3.5
264.07806	0.3
264.10999	0.4
272.08072	0.2
273.09073	2.1
274.09692	2.1
274.25452	0.3
275.07294	0.3
275.10544	4.8
275.20139	0.2
276.07715	1.3
276.11139	0.5
277.08524	0.2
277.12064	0.2
278.12622	0.6
287.10687	0.3
288.11395	0.4
289.08649	0.3
289.12152	0.3
289.17923	0.4
290.09183	0.7
291.10120	9.0
292.10559	1.1
305.11765	1.1
306.12430	27.2
306.27924	10.7
307.09583	2.0
307.12924	3.3
307.19122	0.4
307.22714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01887	0.9
55.05267	0.3
55.05517	5.9
57.07071	0.8
65.03931	0.3
67.05512	8.2
68.53065	0.2
69.07073	6.6
71.04988	0.2
71.08631	0.6
71.58896	0.2
71.59305	0.3
72.04524	0.3
74.06069	0.2
79.05500	2.2
80.04964	0.2
81.06577	0.3
81.07063	6.3
83.08629	2.6
85.05283	2.0
85.10167	0.2
86.06072	0.7
91.05508	0.9
93.07043	2.1
95.04984	0.3
95.08609	4.8
96.08131	0.3
97.06530	0.2
97.10162	0.8
98.06062	11.9
98.09692	0.2
100.07606	0.2
105.07077	0.9
107.08588	1.7
109.06514	0.5
109.10165	2.0
110.09678	0.5
111.08107	0.2
112.07617	1.4
119.08595	0.7
121.10136	0.7
123.11683	0.7
124.07627	0.3
124.11208	0.4
124.23356	0.2
126.09148	0.6
131.08588	0.2
133.10156	0.5
134.09676	0.2
135.11705	0.4
137.05989	2.4
140.10750	0.5
145.10210	0.4
147.11717	0.3
152.10696	0.3
154.12260	0.7
157.10170	0.2
158.10431	0.2
161.13310	0.3
163.12943	0.2
165.12823	0.4
166.12292	0.4
168.13843	0.4
182.15448	0.4
194.15448	0.2
196.16956	0.7
208.16959	1.1
222.18590	0.6
236.20140	0.5
275.20160	0.9
299.43460	0.2
306.27927	100.0
307.22662	0.7
307.28195	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85009	0.1
53.03941	0.2
53.17940	0.1
54.19007	0.1
55.01851	0.6
55.05509	6.8
56.05013	0.2
57.03426	0.1
57.07072	0.8
59.61791	0.2
63.17701	0.2
65.03922	0.4
67.05505	8.3
69.03421	0.4
69.07066	7.1
70.06591	0.2
70.84985	0.3
71.08601	0.4
72.04510	0.2
79.05145	0.2
79.05505	1.8
80.05011	0.1
81.03410	0.1
81.07054	7.0
82.06565	0.3
83.04948	0.4
83.08617	2.1
84.08128	0.3
85.05283	2.1
86.06062	0.8
91.05472	0.9
93.07039	1.8
95.04964	0.3
95.08601	4.9
96.08126	0.4
96.39777	0.1
97.06538	0.2
97.10162	0.9
98.06053	13.7
98.09679	0.2
99.06824	0.3
105.07004	0.5
107.08580	0.7
108.08116	0.2
109.10158	1.9
110.09644	0.5
112.07595	2.2
119.08561	0.3
121.10108	0.4
122.03681	0.3
123.11693	0.5
123.12672	0.1
124.07575	0.3
124.11201	0.3
125.08324	0.3
126.09133	0.5
133.10100	0.4
135.11681	0.3
137.05977	2.9
138.09122	0.3
140.10683	0.6
147.11688	0.2
149.13210	0.2
152.10719	0.5
154.12273	0.5
161.13167	0.2
164.14207	0.1
166.12292	0.3
168.13843	0.6
180.13898	0.3
182.15375	0.6
191.64647	0.1
194.15370	0.4
194.53322	0.1
196.16956	0.6
208.16980	1.0
210.18529	0.3
222.18542	0.5
224.20146	0.2
228.81517	0.2
236.20074	0.6
250.21658	0.3
264.23077	0.2
280.84262	0.1
306.27896	100.0
307.28174	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01856	0.6
55.05511	5.3
57.07076	0.8
58.07449	0.1
61.75106	0.1
65.03938	0.3
67.05503	7.6
69.07067	6.7
69.98829	0.2
69.99224	0.5
70.06584	0.3
71.08638	0.3
72.04517	0.4
72.67998	0.1
73.84635	0.2
79.05488	1.5
81.07054	6.8
82.06579	0.2
82.07398	0.2
83.04966	0.2
83.08619	2.3
85.05289	1.5
86.06075	0.7
87.01359	0.2
91.05458	1.0
93.07037	1.8
94.06602	0.2
94.07328	0.2
95.04948	0.2
95.08605	4.4
96.08125	0.3
96.08932	0.3
97.06524	0.3
97.10182	0.8
98.06054	12.3
99.06841	0.3
105.07050	0.7
107.08588	1.1
108.08100	0.2
109.06501	0.2
109.10153	2.2
110.09663	0.5
110.10447	0.3
112.07610	1.5
119.08586	0.6
121.10117	0.5
122.03559	0.2
122.10493	0.2
123.08073	0.2
123.11687	0.6
124.07629	0.3
124.11196	0.2
124.12015	0.2
126.09123	0.6
133.10141	0.4
135.11702	0.5
137.05980	3.7
137.13255	0.3
138.09108	0.4
140.10680	0.7
147.11732	0.4
149.13313	0.2
152.10698	0.3
154.12254	0.5
161.13239	0.3
165.12749	0.3
166.12311	0.3
168.13800	0.5
170.15396	0.2
180.13799	0.3
182.15401	0.5
188.53448	0.2
194.15411	0.2
196.16972	0.5
208.16983	0.7
222.18504	0.5
222.21989	0.2
223.18629	0.1
224.20039	0.2
236.20074	0.5
238.21660	0.2
246.22926	0.3
250.21768	0.3
260.24484	0.7
264.23309	0.2
275.20029	0.2
286.37561	0.1
288.24017	0.5
306.27902	100.0
307.22647	0.5
307.28238	1.7
323.12350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05511	2.9
56.05038	4.1
57.03430	1.2
57.07072	2.9
58.06602	6.8
59.04991	0.5
60.04525	1.7
67.05503	1.7
68.05008	0.4
69.03414	1.1
69.07080	1.6
70.06582	0.7
70.95831	0.3
71.04980	0.3
71.08631	1.1
71.57591	0.3
72.08172	2.0
72.41905	0.4
73.02881	0.5
74.06079	3.8
79.05482	2.2
81.03413	0.7
81.07063	2.5
83.04977	0.8
83.08629	1.8
85.02883	1.8
85.06522	0.4
85.10185	0.5
86.06073	4.1
87.04463	0.7
88.07632	25.1
89.06031	0.6
91.04982	0.4
91.05457	2.0
93.07060	2.0
95.04971	2.1
95.08617	1.6
95.17616	0.3
97.06500	0.9
97.10191	2.2
100.07619	0.9
102.09167	0.6
104.07108	3.1
105.07037	1.3
107.04955	1.7
107.08605	2.0
109.06493	0.8
109.10139	0.8
117.07017	0.8
118.08678	1.2
119.08591	3.0
120.09005	0.3
121.06500	2.2
121.10160	0.8
123.04420	0.4
123.08044	0.6
125.09615	1.8
127.03892	0.8
131.08577	0.6
132.10201	7.1
133.10098	0.9
135.08037	1.3
135.11713	0.4
137.05986	1.0
143.08545	0.6
145.06468	0.6
145.10138	1.0
147.08086	0.7
147.11699	0.3
152.42578	0.4
159.08087	1.7
159.11609	0.4
161.09550	0.5
162.11278	2.3
163.03909	1.5
163.07512	1.0
166.10799	2.8
173.09471	0.5
173.13278	0.4
174.07649	0.6
177.09048	0.5
182.19003	0.7
183.11742	0.5
189.11229	1.1
198.22191	0.4
200.20041	0.4
214.21663	29.7
215.22005	0.8
219.13908	0.8
226.21640	0.8
231.13762	0.7
253.15706	0.8
258.24301	10.7
261.18240	0.7
271.16943	1.5
288.25467	1.6
289.17990	5.2
306.26385	100.0
307.09210	0.4
307.19125	2.0
307.26752	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	0.4
59.19522	0.3
68.80613	0.3
69.07059	1.5
69.99745	1.0
70.00140	0.7
70.32455	0.3
75.16387	0.3
79.05486	0.7
81.07069	0.6
90.01540	0.3
91.05510	0.4
93.07013	0.5
94.04199	1.7
94.68675	0.3
97.06544	0.4
100.07699	0.3
107.08601	0.6
109.10162	0.5
114.09232	0.4
120.48213	0.3
122.03659	5.4
126.09181	0.4
133.10138	0.6
135.11737	0.9
137.05986	100.0
138.06343	0.5
151.11223	0.4
153.12740	1.1
170.15453	2.2
182.15425	3.1
189.27068	0.3
221.01732	0.3
304.43024	0.3
306.20773	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78286	1.3
54.22753	1.2
55.01889	1.3
55.05515	4.4
56.05040	3.8
56.96571	20.8
57.03432	7.5
58.06607	2.4
60.04527	34.8
61.02927	2.1
67.05505	2.7
67.07051	1.2
69.03432	5.9
69.07085	3.2
70.06596	10.4
70.12598	5.6
70.13025	2.2
71.04996	21.2
71.93005	1.8
72.07798	1.5
72.08161	15.2
72.93796	1.4
73.02924	8.7
74.06084	10.9
74.24595	1.4
74.97629	1.2
79.05495	3.0
81.03418	1.9
81.04533	1.6
81.07054	2.9
83.04977	7.1
84.04502	4.3
84.08152	8.0
84.96025	2.1
85.02911	24.6
85.06530	1.5
86.06100	1.8
86.09708	74.7
87.04462	2.5
87.05587	13.9
88.03960	1.8
88.93674	1.3
89.03912	3.2
91.05484	4.4
93.07066	5.2
95.04980	1.9
95.06090	1.3
95.08614	3.2
97.02897	9.8
98.06078	2.3
98.97589	13.3
100.07594	2.2
102.05544	3.2
106.05066	2.7
107.08598	1.8
109.10171	2.0
110.07164	2.2
110.97585	3.5
111.04456	3.6
112.99097	1.9
116.07112	8.6
116.98615	11.1
117.03381	2.6
118.08632	1.5
118.92128	1.4
119.01674	4.7
120.06589	3.5
121.10131	2.5
122.02756	3.0
122.07153	11.7
123.07999	2.3
126.24452	1.5
127.03914	4.5
128.10733	10.9
128.98610	6.6
129.05482	4.1
129.10245	2.8
130.08643	1.3
131.00169	5.8
131.01851	1.2
131.08524	1.9
134.08122	6.4
134.99646	8.2
135.04408	4.5
136.06204	13.7
136.93152	8.1
137.05986	4.3
141.06648	1.6
142.06998	2.5
143.00189	2.4
144.04796	7.5
145.01755	1.9
145.02789	2.9
145.09821	3.5
146.99635	6.8
147.04425	2.2
149.01210	6.1
149.09593	4.0
150.07777	12.6
154.94164	23.0
158.99739	2.5
159.03081	1.9
161.01254	5.6
161.09209	3.4
162.99171	1.6
163.03896	22.6
164.02275	2.1
164.08231	8.1
165.00816	2.5
170.99681	1.8
171.07680	2.2
172.95238	79.5
173.01237	3.7
173.09512	2.9
173.12866	100.0
174.03951	4.1
174.13245	3.1
177.00731	5.6
187.10849	4.0
189.00757	12.9
189.08739	4.0
190.96297	62.1
191.02272	3.6
193.00305	2.4
195.96889	5.3
199.10849	3.8
201.00772	3.1
201.12346	34.0
203.02274	2.6
205.03802	2.1
207.01779	3.5
207.09789	1.9
208.06429	2.9
208.99681	1.4
212.02338	1.9
213.97928	1.7
219.01768	3.3
219.13397	3.0
223.01381	1.6
231.01749	4.5
235.01210	2.2
245.03267	1.9
247.00514	5.3
249.03008	2.5
250.07063	1.8
265.01489	35.3
270.14594	5.4
271.04721	1.4
274.11087	2.7
276.07446	2.7
283.02567	88.6
288.03354	3.8
288.15546	11.5
301.03568	8.1
306.04208	5.4
306.16623	4.0
306.24731	1.7
307.08984	3.3
316.09201	9.7
325.03601	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	306.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18266	1.5
55.05503	2.9
56.25930	1.9
57.07074	100.0
58.13564	1.8
59.99117	11.3
67.05502	4.4
69.07044	3.4
69.47044	13.5
70.74799	1.6
78.33763	2.1
79.05497	3.2
79.14629	2.0
81.07038	5.2
85.07695	1.7
85.40529	1.6
85.86887	1.6
86.06059	18.2
91.05495	2.5
93.07037	2.4
95.04960	4.1
95.08599	3.4
96.08918	2.9
98.21616	1.8
102.03747	3.2
105.07008	2.5
106.05840	3.1
106.06557	61.8
116.05317	45.3
117.05552	1.7
119.08559	2.6
121.10135	3.0
122.03654	2.0
137.05968	19.2
145.04277	11.8
201.10564	86.7
202.10861	3.4
250.10011	5.2
306.07712	2.1
306.16348	12.1
306.24826	3.1
306.27948	9.4
322.26047	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1183
Annotation	Passiguatemalin
Peak:m/z	Relative Intensity
50.11270	0.3
53.03941	0.5
54.29599	0.3
55.01866	0.8
55.05484	0.4
56.05035	8.8
57.03434	2.3
58.06597	0.4
68.51055	0.3
69.03431	4.7
69.07072	0.5
70.06601	2.1
71.05000	1.1
71.58771	0.3
73.02934	0.6
74.06081	100.0
75.04483	0.4
75.06423	0.5
75.66814	0.3
76.03974	0.6
79.05486	0.5
81.03423	2.9
81.07041	0.5
84.04504	5.2
85.02907	6.3
85.04011	0.5
86.06063	0.9
86.09735	0.4
88.62065	0.4
89.78014	0.3
91.05489	0.5
93.08062	0.3
93.24373	0.4
97.02893	3.5
98.06059	9.6
99.04459	1.9
101.02417	0.5
102.05544	9.5
103.03954	0.9
105.07043	0.5
107.04957	0.4
108.05470	0.4
109.02882	2.9
114.05547	0.7
116.07094	38.2
120.06580	27.0
127.03917	5.0
130.05031	0.9
131.31912	0.4
133.10127	0.5
137.06023	0.7
144.06558	37.3
145.02901	0.5
145.04985	1.2
161.06042	0.6
162.07617	18.3
164.07103	1.1
174.07669	0.9
177.03346	1.5
177.05466	0.4
182.08023	0.5
187.06020	0.7
192.08783	0.6
204.08809	0.6
210.07707	0.6
216.08728	1.5
218.10327	0.6
224.09404	0.4
228.08661	0.9
234.09760	1.7
246.09744	2.2
258.09650	0.5
264.10797	7.6
270.09775	1.9
288.10785	10.1
306.11874	6.0
306.17029	0.6
307.12750	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	305.2477
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03939	2.4
54.62878	1.0
55.01865	1.2
55.05277	1.2
55.05511	9.5
56.96565	1.3
57.03434	1.4
57.07068	3.4
58.12109	1.0
59.04988	1.9
65.03937	1.6
67.05507	19.1
69.03427	4.0
69.07069	14.6
69.83764	1.1
71.04997	8.7
71.08646	1.1
71.60397	1.7
73.06553	1.6
79.05486	12.8
80.66792	0.9
80.76494	1.1
81.03423	1.5
81.06577	2.2
81.07059	43.8
81.53987	1.0
82.07385	1.4
83.04977	3.2
83.08629	6.0
85.02904	4.0
85.06554	3.9
90.94782	1.1
91.05479	15.5
93.07048	82.5
94.07394	1.4
94.20615	1.0
95.04974	100.0
95.08611	32.1
95.09125	0.6
95.09229	1.0
96.05326	1.0
96.08952	1.0
97.02908	1.9
97.06514	4.3
97.10177	2.7
98.97555	2.5
99.08091	2.7
100.07597	0.9
100.11227	1.4
102.34316	1.0
105.06317	1.0
105.07036	23.4
107.08599	27.6
109.06523	8.1
109.10160	29.0
110.10506	1.1
111.04462	2.0
111.08090	3.8
111.11719	2.1
116.98583	2.1
117.07029	2.9
119.08585	21.6
121.06470	2.0
121.10144	16.9
123.08070	3.7
123.11710	21.6
125.09618	3.1
127.11205	3.8
129.06998	2.5
131.08592	6.4
133.10138	14.4
135.08047	2.4
135.11696	14.1
136.27858	0.9
137.09628	2.6
137.13257	9.6
139.11195	2.9
141.12741	2.3
143.08562	3.8
145.10121	10.4
147.08051	1.4
147.11694	21.3
149.09624	2.7
149.13243	7.9
151.11162	4.5
153.12740	2.8
155.10657	1.4
157.10138	7.3
158.99753	1.1
159.11696	16.7
160.12149	1.0
161.09637	1.5
161.13266	10.5
163.11168	3.6
163.14848	2.5
165.12753	4.6
167.10574	1.4
171.08029	1.2
171.11687	5.6
173.13281	7.2
174.96942	1.7
175.14839	4.2
176.96939	3.0
177.12747	2.4
177.16379	1.5
179.14307	2.5
181.12151	1.3
185.13297	3.2
187.14842	3.0
189.16399	2.8
191.02386	1.1
199.14801	5.5
199.26320	1.2
201.16364	11.5
202.16507	1.3
203.14348	1.5
203.17928	1.1
207.17574	1.1
213.16336	6.3
215.17943	2.3
217.19656	1.4
219.17366	2.0
227.17900	1.9
229.19478	2.3
231.17360	2.0
232.78993	1.3
247.20219	1.3
257.22708	3.3
259.24182	1.3
269.22650	7.9
275.23721	2.8
287.20383	1.0
287.23700	24.5
297.04095	2.4
305.14612	1.3
305.17630	2.1
305.24765	47.6
306.25006	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	305.2477
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
52.11024	2.3
55.01875	2.8
55.05513	15.3
55.05749	2.7
56.96575	3.2
57.03451	3.0
57.07078	4.8
67.05506	16.8
69.07072	17.3
70.37297	10.0
71.04960	3.0
76.19680	2.7
79.05489	12.3
81.07063	31.4
83.04977	4.1
83.08617	11.4
85.02870	2.7
85.06554	6.1
91.05500	9.1
93.07046	16.8
95.04962	4.7
95.08616	37.0
97.06512	4.7
97.10163	5.1
99.08129	3.4
100.37666	2.4
105.07052	16.8
107.05024	2.8
107.08599	37.3
108.08971	2.7
108.63882	2.4
109.06537	7.7
109.10162	29.6
111.08090	4.4
117.07052	4.0
119.08601	18.5
121.10156	32.3
122.03688	3.8
123.08067	6.3
123.11755	12.8
125.09669	13.5
131.08548	5.9
133.10136	13.7
135.08044	13.9
135.11687	16.5
137.05983	100.0
137.09583	8.6
137.13248	7.2
139.11201	2.7
143.08585	3.7
144.70103	2.6
145.10129	8.9
147.11690	10.2
149.09647	4.2
149.13293	7.0
151.11237	4.1
157.10194	5.9
159.11713	9.5
161.09633	3.5
161.13319	8.2
163.11211	5.1
163.14790	5.8
173.13269	8.6
175.14861	5.8
175.59984	2.5
177.12779	13.1
177.16435	2.7
179.14372	3.1
182.15520	4.8
185.13271	4.5
185.50981	2.7
187.14845	4.6
189.12683	2.9
189.16420	6.8
191.18016	4.5
196.35248	2.4
199.14894	3.7
201.16423	3.2
203.14413	3.8
203.17998	5.1
205.15897	2.9
213.16457	3.9
215.17969	6.5
217.15894	2.5
219.13559	2.4
229.19379	3.2
231.17543	4.2
235.16895	3.8
259.24152	12.1
267.29440	2.3
269.22687	8.1
286.64447	2.8
287.23663	23.1
305.21136	14.6
305.24765	52.6
305.28293	5.1
306.21106	2.9
306.25195	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03935	2.7
55.05302	1.2
55.05513	12.3
57.03440	2.0
57.07059	5.1
59.04981	1.3
65.03930	3.6
67.05509	16.3
69.03416	5.7
69.07069	20.9
69.29772	11.3
69.30178	3.1
70.06580	4.6
71.04998	14.5
71.08626	1.9
73.06566	1.4
77.03955	1.9
79.05505	13.3
81.03432	1.8
81.07061	52.2
83.02813	1.1
83.04971	4.3
83.08606	5.1
85.02892	3.4
85.06544	4.8
88.07637	2.6
91.05482	18.0
93.07051	87.6
94.07378	1.6
95.04974	100.0
95.08608	38.6
97.02888	4.4
97.06529	5.6
97.10167	2.6
98.97599	3.1
99.08084	1.6
105.07031	25.9
107.07864	2.2
107.08601	38.2
109.06528	8.6
109.10162	19.6
111.08054	4.2
111.11724	2.3
115.05483	1.4
116.98642	2.4
119.08588	21.2
119.84768	1.3
121.06558	2.1
121.10158	24.2
123.08086	3.5
123.11717	23.0
125.09654	8.3
127.07561	1.4
127.11188	4.3
131.00134	1.8
131.08560	7.6
132.10161	2.9
133.10146	15.0
135.11702	14.4
137.05942	1.9
137.09587	5.0
137.13269	10.1
139.11195	4.0
141.12737	2.2
143.08580	4.7
143.10684	6.4
145.10132	11.9
146.11751	1.9
147.11693	22.1
149.09627	1.9
149.13252	11.8
151.11166	3.0
153.12781	3.1
157.10162	7.0
158.99606	1.7
159.11720	18.9
161.13290	7.1
163.11163	2.9
163.14824	3.6
165.12750	5.2
167.10657	4.3
171.11690	4.0
172.97272	1.2
173.13309	6.5
175.14891	3.6
177.12752	2.2
177.16336	2.5
185.09605	1.4
185.13365	1.5
187.14787	3.7
189.16374	2.8
199.14809	4.5
200.20068	3.9
201.16394	11.5
203.18005	3.7
209.11716	1.6
213.16454	6.5
215.18022	4.4
219.17328	1.7
227.17909	1.4
244.17819	1.4
244.22736	8.9
259.24384	1.5
260.11993	1.3
261.22104	1.4
269.22751	8.3
287.23694	24.6
305.05481	4.4
305.17667	1.6
305.21350	2.6
305.24738	46.2
305.46576	1.3
306.17276	1.5
306.26419	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	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03943	4.2
53.59063	1.8
55.01855	2.1
55.05515	25.8
57.03428	6.6
57.07075	11.4
59.04997	4.1
67.05503	31.5
69.03426	7.1
69.07069	58.7
69.42484	9.7
69.42910	8.3
71.04985	7.5
71.08607	2.5
79.05498	26.8
81.03364	3.2
81.07057	89.9
83.04965	9.3
83.08631	13.2
85.06545	4.7
91.05475	25.6
93.07040	86.6
95.04964	19.9
95.08608	83.8
96.08936	3.1
97.02886	5.3
97.06533	11.9
97.10162	7.9
99.08096	5.8
105.07030	34.0
107.08595	54.1
109.06507	13.9
109.10165	33.0
111.08082	8.1
111.11708	5.7
117.06983	4.7
119.08580	28.7
120.08964	1.9
121.06433	3.2
121.10139	67.0
123.08070	7.3
123.11702	26.4
125.09608	10.7
127.11162	2.5
131.08601	11.0
133.10141	26.0
135.11691	17.9
137.09613	7.3
137.13289	10.1
139.11189	21.1
143.08549	4.6
143.10648	7.2
145.10130	13.1
147.08160	2.5
147.11678	20.3
149.09639	11.1
149.13266	21.0
151.11179	9.2
153.12784	4.0
157.10089	7.5
159.11710	13.2
161.09663	5.7
161.13251	6.7
163.11186	5.5
163.14827	2.5
165.12791	9.0
167.10667	44.4
167.14330	2.5
173.13300	6.9
175.11183	3.9
175.14825	7.8
177.12779	4.7
177.16444	3.9
178.05151	1.9
181.12254	3.3
185.13187	2.6
185.71597	1.8
187.14775	3.6
189.16396	6.2
191.17995	3.1
193.15733	4.7
194.45421	1.8
195.13824	2.7
199.14867	3.2
201.16385	4.2
203.17953	4.4
205.15906	3.3
213.16377	7.8
215.17946	4.5
217.15913	2.7
227.18109	2.9
229.19604	3.7
259.24203	2.8
261.22363	3.7
269.22589	9.6
287.23727	26.2
305.24744	100.0
306.25156	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	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03931	3.3
53.32660	1.9
55.01865	4.5
55.05516	29.1
56.96553	2.3
57.03441	1.9
57.07057	8.1
59.04987	4.2
67.05502	35.9
68.15700	1.9
69.03413	6.1
69.07072	47.1
69.58770	16.0
71.04999	11.9
74.36810	2.0
77.96152	2.0
78.12165	1.9
79.05491	20.7
81.03410	2.7
81.07059	95.0
82.07381	2.4
83.04980	15.9
83.08598	12.7
84.36498	1.8
85.01723	2.2
85.06532	6.7
91.05490	24.0
93.07043	100.0
94.07394	2.7
95.04971	32.9
95.08607	69.7
96.08965	1.8
96.64680	1.7
97.02885	4.6
97.06503	11.9
97.10162	8.2
97.57710	2.1
99.08102	2.8
105.07039	35.6
106.07809	2.1
107.08595	57.1
109.06524	15.4
109.10159	48.5
111.08094	11.4
111.11697	4.4
115.82401	2.1
117.07002	6.9
119.08582	32.3
121.10148	53.8
123.08067	5.1
123.11707	35.3
125.09617	6.4
127.07484	2.5
127.11224	3.3
131.08543	9.4
133.10149	19.4
135.08070	3.7
135.11694	36.3
137.05954	2.5
137.09619	6.2
137.13240	8.1
138.09097	3.1
139.11154	11.3
142.07745	5.3
143.08641	2.5
143.10684	4.1
145.10114	10.2
147.11693	24.7
149.09644	6.2
149.13255	32.5
149.27367	2.1
151.11162	6.5
153.12750	5.7
157.10106	7.1
159.11703	12.2
161.09631	2.4
161.13258	6.4
163.11154	6.2
163.14848	5.9
165.12764	11.3
167.10672	6.7
167.14261	2.2
171.11662	4.7
173.13283	10.9
175.14815	6.5
177.05513	2.4
177.12772	3.6
177.16412	6.9
179.10669	2.3
179.14313	3.5
181.12270	4.2
185.09569	3.7
185.13281	3.6
187.14746	5.7
189.16377	5.0
191.14389	2.9
191.17946	3.4
201.16353	4.9
203.17943	4.3
205.15877	2.9
207.43739	2.2
213.16379	8.8
215.17902	4.0
227.17981	2.7
229.19655	2.5
233.19104	2.6
245.12878	4.1
259.14423	2.0
259.24277	2.5
269.22635	7.7
277.25275	3.4
287.13931	10.7
287.23734	24.0
305.08029	4.8
305.17712	2.6
305.24738	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
51.45084	1.8
52.94910	1.8
53.03934	2.5
54.11815	2.0
55.05296	2.0
55.05514	20.5
57.03437	3.8
57.07065	9.0
59.05004	3.6
65.03910	2.2
67.05503	29.3
69.03422	6.4
69.06722	3.8
69.07071	54.1
69.45506	2.0
70.34193	1.8
70.67483	2.3
70.67807	5.1
71.05000	14.7
71.08626	2.3
73.06551	2.1
77.31213	2.0
79.05124	2.3
79.05501	29.0
81.06580	3.7
81.07062	87.5
83.04984	7.9
83.08632	13.2
85.06537	8.6
91.05486	26.7
93.07050	100.0
93.99060	2.1
95.04977	28.2
95.08609	75.6
96.08923	3.6
97.06533	11.2
97.10180	7.6
98.97585	3.3
99.08067	5.7
105.07034	41.8
107.08605	63.4
109.06526	10.8
109.10160	46.4
111.08076	11.3
111.11681	3.5
114.18106	2.0
116.98595	2.2
117.06998	4.9
119.08586	35.4
121.06490	4.4
121.09320	4.0
121.10147	66.8
122.10483	2.1
123.08058	7.8
123.11712	34.5
125.09612	8.1
125.27730	2.0
127.11230	2.2
131.08557	11.7
133.10147	25.5
135.08089	5.8
135.11705	40.5
137.06049	2.1
137.09595	6.5
137.13246	9.2
139.11186	10.7
143.08553	3.9
143.10640	3.4
145.10135	15.5
147.11697	27.8
149.09636	4.8
149.13260	29.5
151.11185	11.0
153.12796	3.5
156.09322	2.0
157.10141	7.8
159.11716	14.0
160.90425	2.2
161.09547	2.3
161.13292	13.2
163.11194	7.2
163.14828	4.8
165.12746	9.1
167.10692	10.6
171.11691	3.6
173.13246	9.2
175.14815	8.0
177.02567	2.4
177.12808	5.1
177.16368	4.9
181.12282	3.2
185.13318	3.8
187.14838	4.4
189.16400	6.0
193.15889	3.3
199.14836	5.5
200.13483	1.9
200.20146	3.3
201.16377	10.9
203.17964	6.7
213.16396	6.4
215.17908	3.9
217.15759	2.7
227.17908	2.4
243.21169	3.5
244.22777	4.5
245.45663	2.4
259.24191	4.1
261.22406	2.9
263.23648	3.0
269.22665	11.6
287.23685	28.7
305.17621	3.9
305.21494	4.3
305.24734	89.6
306.21036	2.0
306.26154	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	305.2477
Annotation	6,8,11,14-icosatetraenoic acid
Peak:m/z	Relative Intensity
55.01875	1.2
55.05516	9.7
57.07076	2.7
59.05002	1.4
65.03934	0.9
67.05502	7.9
68.04959	0.9
69.03439	1.9
69.07069	14.3
70.72930	0.9
70.73312	2.4
71.05004	1.6
71.08638	1.2
79.05486	4.8
81.06580	1.2
81.07061	25.5
82.01663	0.7
83.04979	2.0
83.08623	5.6
85.06541	2.1
91.05482	3.8
93.07057	10.2
94.04224	1.0
95.04966	3.7
95.08611	24.8
96.08939	1.3
97.06545	2.8
97.10179	2.4
98.20771	0.8
99.08173	1.1
105.07045	7.3
107.08603	13.1
109.06505	5.6
109.10166	12.2
110.03722	1.0
110.10448	0.9
111.04424	1.1
111.08103	2.9
111.11723	1.7
113.05991	0.8
114.09171	1.1
117.07029	1.0
119.08600	6.5
121.06496	1.9
121.10152	8.6
122.03651	5.6
123.08080	2.9
123.11713	15.1
125.06012	1.9
125.09618	3.7
131.08569	2.5
133.10153	5.8
135.08086	2.4
135.11716	6.0
137.05983	100.0
137.09621	1.8
137.13257	14.3
139.11206	3.4
143.08667	0.9
145.10150	3.0
147.08067	1.6
147.11687	3.7
149.09633	1.4
149.13290	4.2
151.11211	1.4
152.07079	8.8
153.07408	8.0
153.12764	1.4
157.10156	2.3
159.11731	1.4
161.09657	1.9
161.13304	2.0
163.11212	1.7
163.14807	2.1
165.12726	1.7
167.10741	2.4
170.15410	1.9
171.11714	1.4
173.13272	1.8
175.11128	1.6
175.14832	1.8
177.12744	1.3
177.16412	1.5
179.10719	1.8
181.12175	1.2
182.15443	3.1
187.14883	1.3
189.12755	0.8
189.16418	3.3
191.14278	4.2
193.12323	1.3
193.15935	1.0
203.18005	1.3
207.17409	1.0
213.16428	1.2
235.16942	0.9
245.22617	1.1
259.24219	2.6
269.22525	1.6
287.16510	0.9
287.20325	1.5
287.23740	5.2
305.15552	1.2
305.21115	8.7
305.24780	17.5
305.28470	1.4
306.21045	1.8
306.25296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
54.50352	3.3
55.05513	21.3
57.07069	9.0
64.93770	3.3
67.05513	24.9
69.03410	4.2
69.06723	3.6
69.07072	46.6
69.85378	15.8
70.44984	2.8
71.04999	4.8
72.74865	3.8
73.02728	3.2
75.59624	3.0
79.05495	12.1
81.07060	66.2
82.76261	3.0
83.04988	8.1
83.08622	15.8
85.06549	4.4
91.05470	14.0
93.07045	37.7
95.04990	5.0
95.08606	74.2
97.06531	18.1
97.10181	10.2
99.08095	82.4
105.07032	29.1
107.08595	76.8
109.06506	7.2
109.10162	52.4
111.08095	7.1
111.11721	5.5
113.09653	8.3
117.07008	5.5
119.08587	48.2
121.06509	4.2
121.10140	52.8
123.08120	4.0
123.11697	29.5
125.09618	9.6
131.08531	11.0
133.10141	50.8
135.11702	35.5
137.09619	7.9
137.13261	13.9
143.08612	7.2
145.10132	21.8
147.11684	37.2
149.13243	21.0
151.11227	6.5
157.10126	8.6
159.11694	24.3
161.13263	29.7
163.11163	6.6
163.14827	67.3
167.10670	4.5
171.11668	7.4
173.13252	30.8
175.14822	21.1
177.12759	5.8
177.16373	6.2
179.14296	3.5
181.12230	6.4
185.13313	4.9
187.14804	19.3
189.16385	40.5
190.17149	7.2
191.14316	9.0
191.17961	32.1
195.13788	3.9
199.14825	10.7
201.16364	13.2
203.14244	3.9
203.17990	19.8
205.15791	6.7
213.16364	15.1
217.15826	5.0
227.17992	8.2
229.19504	5.7
231.17531	3.8
242.67752	3.3
243.21101	58.8
244.21355	7.5
245.22667	5.7
259.24088	4.3
261.22125	6.5
269.22629	37.8
269.76144	3.7
287.23669	62.3
305.21368	5.5
305.24698	100.0
305.28210	7.5
306.25027	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	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03947	6.1
55.01854	5.1
55.05507	26.9
57.03427	9.1
57.07071	9.6
59.04990	13.9
61.02954	3.5
63.43391	3.2
67.05509	27.9
69.03445	18.0
69.07078	30.3
71.01346	6.6
71.04992	48.1
71.58002	3.2
71.58426	3.5
73.02926	4.5
73.06544	5.3
75.04478	5.5
78.34779	3.4
79.05495	36.1
81.03410	11.1
81.07054	95.8
83.04984	27.1
83.08603	13.8
85.02905	59.8
85.06527	10.9
87.04473	5.4
88.53635	3.4
91.05481	23.5
93.07038	61.6
95.04991	18.8
95.08603	49.5
97.02862	10.9
97.06509	12.8
97.10171	16.8
98.97575	12.5
99.08083	8.0
103.03931	5.2
104.64211	3.4
105.07030	81.0
107.04944	3.8
107.08585	88.0
109.02891	6.5
109.06527	8.5
109.10148	38.5
111.04424	17.5
111.08064	9.2
113.05978	5.5
115.07587	4.7
116.98604	10.4
117.07012	6.7
119.07786	5.9
119.08579	70.4
121.10157	48.5
123.08109	3.7
123.11693	21.1
125.09631	39.6
127.03912	7.0
127.11203	18.6
129.05463	11.4
129.06993	5.8
131.00200	5.1
131.08542	15.2
133.10124	34.2
135.11693	36.1
136.12006	3.0
137.09630	7.8
137.13219	5.1
143.08620	8.5
143.10677	50.0
145.10123	34.9
147.06543	3.5
147.10504	5.4
147.11684	100.0
148.11980	4.3
149.13266	33.2
153.12706	8.2
155.10597	3.6
157.04985	7.1
157.10112	14.1
159.02850	5.0
159.08028	6.6
159.11707	33.1
161.13286	19.0
163.14841	9.6
167.10553	6.9
171.11687	11.2
173.13243	15.6
175.07826	3.5
175.14790	7.9
177.00735	4.3
177.16403	6.4
179.10692	3.5
179.14351	4.3
185.13258	10.0
187.11163	3.0
187.14804	7.8
189.16409	6.6
191.02191	3.9
191.18010	4.6
199.14865	6.4
201.03888	4.7
201.16396	40.8
203.17947	30.7
207.34163	3.1
213.16316	13.2
215.17995	12.6
217.19524	4.8
227.17903	3.3
240.56506	3.3
259.08069	3.5
262.05621	3.2
269.22617	17.9
287.23697	41.8
305.08273	13.8
305.17526	10.3
305.21313	5.8
305.24716	58.7
306.08688	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	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
51.98585	1.9
53.67267	2.2
55.05515	18.8
57.03437	4.0
57.07076	6.0
59.05008	3.8
66.61058	2.2
67.05511	28.2
69.03426	3.1
69.07077	24.9
69.41340	9.4
69.41763	10.0
71.04984	9.8
71.08630	8.1
79.05507	16.8
81.07064	73.9
83.04998	2.7
83.08620	14.3
85.06550	5.5
91.05473	16.8
93.07050	44.1
95.04960	5.9
95.08613	100.0
96.08955	9.6
97.06534	27.9
97.10162	8.1
99.08088	4.2
104.54574	2.1
105.07040	36.5
106.07498	2.3
107.08598	57.1
108.88636	2.2
109.06529	5.2
109.10156	57.8
110.10485	4.0
111.08075	5.9
111.11702	3.9
113.09674	2.7
117.06994	3.9
119.08582	53.2
120.08919	2.7
121.06526	4.0
121.10150	63.4
122.10498	2.7
123.08089	5.9
123.10891	4.0
123.11713	23.8
125.09614	11.1
131.08575	9.0
133.10132	38.5
135.08049	3.4
135.11693	36.3
136.12044	2.8
137.06003	9.5
137.09660	7.0
137.13248	15.4
139.07561	2.7
139.11200	2.4
142.70808	2.5
143.08562	3.2
144.09389	3.4
145.10124	13.9
147.11705	24.2
149.09639	3.0
149.13264	21.8
151.11209	5.6
157.10103	8.0
159.11696	26.0
161.13258	22.1
163.11154	4.0
163.14850	22.9
164.15169	3.8
165.12766	2.4
167.10674	2.3
171.11713	10.7
173.13260	19.6
175.14856	16.5
176.15173	3.9
177.12761	4.7
177.16414	7.3
179.14288	4.3
185.13248	7.1
187.14819	13.2
189.16402	15.0
191.14281	5.4
191.17964	14.9
192.45834	2.7
199.14857	9.1
201.16440	7.8
203.18008	11.0
207.17455	5.1
213.16431	9.7
215.17960	4.5
217.19460	4.4
227.17981	5.8
243.21158	7.4
245.22621	5.5
255.74045	2.2
259.24136	9.3
263.02353	2.0
269.22653	27.9
287.23709	30.6
305.21057	5.6
305.24680	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.85758	0.9
55.05510	5.4
56.54888	0.9
57.07071	1.9
67.05514	13.7
69.03412	2.7
69.07072	13.6
70.13087	5.1
71.04979	1.4
75.78315	0.9
79.05489	4.2
81.06579	1.8
81.07058	35.6
83.04980	1.8
83.08616	5.6
85.06554	1.0
91.05469	3.3
93.07056	7.8
95.04951	2.6
95.08612	26.3
97.06541	2.2
97.10207	1.7
98.21434	1.3
99.08076	2.5
105.07024	5.1
107.08588	14.2
109.06520	3.7
109.10161	33.2
111.08058	1.8
117.07040	0.9
119.08585	12.0
121.06507	3.2
121.10137	10.3
122.54772	0.9
123.08058	7.2
123.11713	14.9
125.09649	2.4
133.10112	7.4
135.08054	4.0
135.11723	7.0
137.09619	20.8
137.13243	16.8
145.10097	3.3
147.11707	5.2
149.09605	1.3
149.13237	4.3
151.11166	5.9
157.84314	1.1
159.11676	3.9
161.13275	10.8
163.11205	5.6
163.14873	5.5
165.12744	1.6
173.13248	3.1
175.14807	2.8
177.12759	2.4
178.13512	2.2
179.14325	6.6
187.14809	2.0
189.16408	3.8
191.14326	3.2
191.17860	1.6
199.14857	1.7
201.16376	1.6
203.17871	1.3
206.16692	1.8
207.17358	1.4
213.16446	1.3
217.15706	1.3
223.16885	1.4
229.19547	1.3
231.17453	1.6
235.16914	3.0
243.21185	1.1
245.19119	1.1
249.18488	5.0
266.99615	1.0
269.22641	3.6
287.23773	8.3
305.24768	100.0
306.25131	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2472
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
55.01859	1.2
55.05506	10.3
57.07075	3.6
61.17293	0.9
66.21155	0.7
67.05501	12.1
69.06718	1.1
69.07066	15.0
70.86015	0.9
70.86372	2.1
71.08624	1.3
79.05488	5.0
81.06581	1.3
81.07053	20.7
83.08620	6.2
84.80892	0.7
85.05288	1.3
85.06515	1.2
91.05494	2.7
93.07038	8.3
95.08607	25.9
97.06533	1.2
97.10181	4.0
97.95248	0.8
98.06049	11.3
102.44221	0.7
105.07028	6.5
105.47262	0.8
107.08587	13.9
109.06514	1.6
109.10148	17.2
110.10462	0.9
111.08067	0.9
111.11718	1.8
112.07631	1.7
119.08583	6.0
121.10147	9.4
123.08074	0.8
123.11708	8.2
125.06036	1.2
125.09572	1.4
131.08559	1.0
133.10118	4.5
135.08096	0.8
135.11671	8.0
137.05928	2.7
137.09685	0.8
137.13229	5.2
139.07509	1.1
141.09129	1.0
145.10155	1.7
147.11674	6.0
149.13263	8.4
151.14835	1.5
153.09109	0.8
157.10143	0.8
159.11694	2.0
161.13231	4.8
163.14824	11.2
165.12801	0.8
171.11726	1.1
173.13214	2.2
175.14888	5.5
177.12758	0.8
177.16397	2.4
181.12271	1.0
187.14850	0.9
189.16400	4.0
191.14410	1.1
193.12277	1.1
195.13802	0.9
196.16980	1.3
199.14919	1.1
201.16359	1.0
203.17966	3.3
205.19475	1.4
209.15326	1.1
213.16356	1.0
221.15387	1.8
231.17432	0.9
245.22638	5.5
249.18579	0.9
252.03111	0.8
259.24207	17.8
260.24536	1.3
262.85815	0.8
269.22647	2.9
287.23666	13.6
288.24103	1.3
305.24701	29.4
306.27908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
55.05514	19.8
57.07068	13.1
57.98996	3.3
59.62860	2.8
67.05495	22.3
69.07072	29.8
70.22874	6.0
70.23269	6.2
70.85934	3.0
79.05495	10.2
81.07056	52.6
83.08622	14.6
91.05475	6.7
93.07047	24.3
95.08605	86.0
96.08932	10.3
97.06555	3.8
97.10175	10.4
105.07011	14.7
107.08591	45.5
109.06512	5.6
109.10152	58.3
111.11710	8.9
119.08587	20.1
121.10146	40.0
123.11728	29.6
133.10120	17.7
135.11670	27.3
136.12080	5.2
137.09618	3.8
137.13260	12.6
145.10094	5.3
147.11653	17.5
149.13277	33.0
150.13640	3.7
151.14832	5.5
157.10109	4.7
159.11652	7.5
161.13277	10.9
163.14798	35.9
173.13240	4.4
175.14809	14.8
177.16415	14.2
189.16412	13.8
191.17955	4.9
193.12204	4.1
195.13940	4.9
201.16357	3.4
203.17934	12.5
205.19562	8.5
207.13751	3.3
209.15399	6.8
217.15962	3.4
221.15532	4.4
223.16907	6.5
235.16907	9.3
245.22667	18.5
249.18423	6.1
259.24231	61.8
260.24615	3.5
269.22690	11.9
273.90771	3.1
287.23663	49.5
305.24698	100.0
306.24985	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	305.2473
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
55.05506	15.2
57.07072	5.4
67.05504	16.2
69.03452	2.1
69.07067	27.2
70.18011	8.3
70.18423	3.5
71.08610	5.2
79.05489	6.8
81.07056	43.1
83.08613	13.9
83.41547	2.3
84.73170	2.5
91.05478	5.7
93.07033	23.9
95.04942	2.5
95.08603	60.9
96.08934	5.7
97.10153	10.5
103.92598	2.3
105.07030	13.1
107.08576	33.7
109.06526	2.5
109.10158	51.7
111.08108	2.5
111.11709	6.8
113.06036	2.4
119.08586	15.4
121.09314	3.4
121.10137	34.6
122.10497	3.5
123.08063	3.5
123.11710	27.1
125.05983	2.7
133.10124	10.4
135.11703	22.6
137.09653	3.2
137.12404	2.4
137.13286	15.0
139.07536	4.4
145.10109	3.8
147.11687	7.4
149.13266	26.1
151.14824	2.6
159.11644	3.0
161.13248	11.1
163.11226	2.8
163.14835	33.1
164.23535	2.2
167.50659	2.6
173.13261	4.8
175.14815	12.2
177.12775	2.7
177.16351	6.9
181.12245	2.8
183.03107	2.3
189.16356	8.1
191.17975	4.0
193.12253	3.9
195.13831	3.0
201.16399	2.4
203.17903	6.9
205.19545	4.6
209.15417	3.8
217.19540	3.9
223.16985	3.2
235.16954	5.7
245.22630	10.7
249.18369	3.4
259.24231	38.7
269.22580	7.7
287.23663	28.0
305.24738	100.0
306.25168	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	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
55.05516	11.3
57.07071	7.4
57.57006	1.8
63.29021	1.7
67.05505	19.3
69.03444	2.6
69.06717	2.5
69.07069	25.1
70.78448	2.5
70.78829	3.9
71.08619	3.5
79.05496	6.4
81.07063	44.1
81.07520	3.0
83.08630	11.3
85.06548	2.0
85.81391	1.5
91.05508	6.9
93.07050	19.3
95.04978	2.3
95.08611	57.1
96.08924	2.2
97.06547	1.9
97.10175	9.8
98.20733	1.6
99.08105	1.7
104.23438	1.6
105.07063	12.5
106.99538	1.7
107.08603	32.3
109.06527	3.4
109.10162	45.7
111.11731	3.4
118.12946	2.0
119.08604	17.4
121.06490	2.4
121.10158	25.8
123.08089	3.2
123.11726	20.8
125.09595	2.1
131.08585	3.4
133.10150	18.1
135.11705	17.7
137.05977	3.9
137.09615	7.2
137.13251	18.0
137.21262	1.7
139.11111	2.4
143.08559	2.7
145.10153	4.5
147.11731	15.1
149.13255	18.0
151.11150	4.3
151.14825	3.8
153.09082	2.1
159.11734	6.9
161.09682	2.7
161.13277	13.6
163.11224	3.0
163.14830	28.0
173.13278	4.3
175.14821	12.9
177.12746	3.4
177.16370	4.8
179.14294	4.4
187.14861	3.2
189.16422	15.1
191.14220	2.7
193.12151	3.1
195.13870	4.9
201.16360	4.5
203.17953	8.6
213.16325	2.0
221.15384	4.8
231.17448	3.2
231.74258	2.0
235.16985	6.2
245.22668	12.6
249.18434	3.4
259.24240	39.6
269.22662	10.0
287.23685	33.8
305.24762	100.0
306.25055	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	305.2473
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
55.05288	2.2
55.05512	18.3
57.07079	12.6
59.53908	1.5
67.05505	23.4
68.05844	1.8
69.06728	2.6
69.07070	35.2
70.62526	4.0
71.05020	2.2
71.08619	5.1
79.05489	9.6
80.06284	1.9
81.07056	57.8
82.07377	3.5
83.08608	17.7
85.06541	3.0
91.05465	6.3
93.07039	29.6
94.07339	2.1
95.08605	100.0
96.08936	14.5
97.06530	4.0
97.09312	1.8
97.09573	1.7
97.10164	12.0
98.10496	1.8
105.07030	17.5
107.08596	43.1
108.08921	5.5
109.06499	2.5
109.10153	68.5
110.10497	4.0
111.08112	1.6
111.10890	1.8
111.11705	5.9
112.10492	1.7
113.05999	1.6
114.70156	2.0
119.08580	27.1
120.08945	3.4
121.10144	38.7
122.10461	2.8
123.08045	2.0
123.11716	31.6
124.12033	2.5
125.05994	3.0
125.09641	2.1
131.08554	3.0
132.33969	1.7
133.10130	19.7
134.10490	3.9
135.11702	29.9
136.12030	5.6
137.09694	2.4
137.12337	3.2
137.13255	17.2
139.07582	3.6
139.11157	1.9
145.10141	5.2
147.10675	1.8
147.11719	20.4
147.12817	2.8
148.12042	3.8
149.12173	3.3
149.13261	30.3
150.13689	2.5
151.11218	1.8
151.14810	4.6
153.07823	1.6
153.09097	1.7
155.10609	2.1
157.10150	4.2
159.11728	5.4
161.13269	15.6
162.13635	2.8
163.11215	1.7
163.14856	38.3
165.16534	2.0
167.10675	4.1
171.11772	1.8
173.13277	8.4
175.11212	2.5
175.14842	13.7
177.12769	4.3
177.16460	8.9
179.10675	2.3
181.12299	3.4
187.14848	3.2
189.12859	3.2
189.16437	18.4
190.16808	2.3
191.14371	4.1
191.18013	2.1
193.12250	5.1
195.13776	5.0
196.45694	1.7
199.14790	2.6
201.16464	2.9
203.14400	2.3
203.17964	11.7
205.19510	6.5
207.13779	2.4
209.15297	4.5
213.16399	3.1
217.15843	1.8
217.19693	3.6
221.15398	4.5
223.16905	2.1
235.16945	6.0
245.22655	14.6
249.18567	5.0
259.24237	55.9
269.22705	13.0
278.07816	1.7
287.23703	36.5
305.24747	83.4
306.25128	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	305.2471
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
55.00717	1.0
55.05510	12.4
57.07062	4.1
58.10787	1.0
59.04968	1.4
65.61964	1.1
67.05505	13.0
67.66334	0.9
68.78773	0.9
69.03409	2.6
69.07064	34.1
71.04986	2.4
71.18248	1.4
71.18584	1.3
73.06549	1.3
79.05477	7.2
81.07057	32.3
83.08610	11.1
85.06541	3.2
85.10150	1.3
91.05473	4.3
93.07043	25.5
95.08602	48.3
96.08935	2.1
97.06500	3.0
97.09325	1.0
97.09573	1.3
97.10164	12.3
97.33313	1.4
98.82992	1.2
105.07033	10.0
107.07858	2.4
107.08593	50.7
109.06494	2.0
109.10154	34.8
110.10480	1.4
111.08073	2.0
111.11726	5.7
115.07515	1.3
119.08566	14.6
121.10145	46.2
121.11029	2.6
123.08033	1.6
123.11703	25.5
125.09609	1.4
131.08566	1.3
133.10117	13.5
135.11681	27.7
136.12061	1.0
137.05963	1.3
137.09695	1.4
137.13246	8.0
139.11179	5.3
141.09163	1.5
145.10089	3.1
147.11685	7.9
149.09698	1.4
149.13246	43.6
153.09013	1.8
155.10683	1.2
157.10123	2.2
157.12262	7.6
159.11693	3.1
161.13300	7.2
163.11180	2.5
163.14819	93.5
164.15085	2.2
167.10672	4.3
171.11682	2.2
173.13281	3.9
175.11130	1.7
175.14838	8.2
177.12718	2.4
177.16354	7.3
180.06059	1.0
180.07780	1.2
181.12210	8.1
185.13295	1.3
187.14815	3.0
188.15106	1.2
189.16365	8.3
190.17018	1.1
191.17938	3.2
195.13795	8.8
199.14793	1.8
203.18037	1.9
205.19446	1.3
209.15335	6.2
213.16403	2.9
217.15907	2.4
221.15355	3.9
223.16891	4.0
227.18002	1.4
231.17567	2.5
235.16940	8.2
243.20998	3.3
245.22656	28.8
249.18465	10.4
264.78079	1.2
269.22653	14.4
287.23697	26.1
305.24731	100.0
306.24969	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	305.2473
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
55.05506	14.4
57.07053	5.3
58.96983	1.8
59.04966	2.1
63.47530	1.8
67.05503	15.7
69.03433	3.3
69.06721	2.6
69.07069	37.3
69.41533	14.3
71.08619	2.3
79.05506	9.7
81.07056	45.1
83.04955	3.2
83.08604	16.0
85.06543	2.1
91.05467	9.0
93.07040	32.6
95.04992	2.1
95.08602	63.9
96.08932	5.8
97.06531	4.3
97.10180	10.0
98.20701	3.6
105.07009	13.2
107.07851	3.7
107.08588	60.3
108.08913	3.5
109.10156	50.7
110.10468	3.9
111.08089	2.9
111.11703	5.6
115.94704	1.9
119.08575	16.5
119.31110	1.6
121.10136	51.6
122.10469	3.1
123.08033	4.6
123.11697	28.0
131.08557	3.4
133.10146	15.9
135.10686	2.7
135.11693	36.1
136.12019	3.0
137.05966	2.1
137.09715	1.7
137.13245	8.9
139.11194	5.8
145.10089	3.5
147.11671	10.7
149.12186	3.3
149.13261	43.2
150.13533	2.0
151.14832	2.8
153.09135	2.3
157.12260	6.4
159.11681	3.6
161.13268	10.8
163.11160	4.5
163.14824	80.4
164.15155	4.6
167.10701	2.2
173.13245	6.2
175.14838	12.2
177.12680	3.6
177.16388	10.1
181.12201	7.7
187.14859	4.1
188.09186	2.0
189.16422	12.3
191.17944	3.1
195.13792	7.0
199.14757	1.9
203.18036	2.4
209.15384	6.4
213.16403	3.0
217.15820	1.9
221.15349	3.1
223.16954	4.2
227.18069	2.5
229.19548	2.2
235.16974	9.2
243.21069	5.1
245.22670	32.5
249.18469	7.8
259.24091	4.1
269.22653	15.2
287.23697	30.6
288.23895	2.2
305.24704	100.0
306.24875	6.0
306.28027	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	monacolin L lactone
Peak:m/z	Relative Intensity
55.01875	5.4
55.05524	20.7
56.96552	4.4
57.03428	6.9
57.07077	10.2
67.05509	22.1
69.03417	10.2
69.07081	32.5
70.06583	3.9
71.05000	3.9
71.59739	5.0
79.05480	22.2
81.03426	4.6
81.07059	30.2
83.04992	23.7
83.05426	5.3
83.08642	9.4
85.06544	9.3
88.38818	3.1
91.05481	24.9
93.07049	69.1
93.70294	3.1
95.04997	17.4
95.08609	69.0
96.08956	6.3
97.06527	9.7
97.10162	6.5
99.08098	5.1
105.07047	39.5
107.08604	44.4
109.06554	9.7
109.10147	28.9
111.08105	7.2
116.06242	4.1
117.07006	9.8
119.08595	51.6
121.06529	9.1
121.09285	6.2
121.10146	53.5
123.08070	12.6
123.11710	21.0
125.09646	6.1
128.06224	10.4
129.07004	9.4
131.08582	39.9
133.06461	3.8
133.10143	36.4
135.08084	7.9
135.11703	16.3
137.05977	5.3
137.09607	8.0
137.13287	4.5
139.07544	4.7
139.11169	3.8
142.07741	7.8
143.08528	24.8
144.09319	6.6
145.10143	40.8
147.08041	9.7
147.11713	20.8
149.09616	33.1
149.13220	7.4
151.11269	4.6
155.08505	5.2
156.09358	8.1
157.10135	39.8
158.10909	6.8
159.08044	4.3
159.11702	50.3
161.09656	11.7
161.13235	11.2
163.11197	4.4
163.14795	3.9
165.09138	14.0
167.10716	12.4
169.10162	13.8
170.10892	6.5
171.11713	24.6
171.57916	4.1
173.13271	53.7
174.13979	5.7
175.11194	7.8
175.14877	5.7
177.12788	8.2
177.16324	4.1
183.11685	8.6
184.50270	3.9
185.13307	14.9
187.11119	12.9
187.14807	14.4
188.11049	3.3
189.12813	8.7
191.14351	8.3
195.11722	8.2
197.13171	5.1
199.14839	16.4
201.16298	7.3
207.13785	4.2
211.14873	12.2
213.12767	13.9
213.16466	15.1
215.17934	8.6
217.15820	3.6
225.16327	8.7
226.17213	5.1
229.15891	4.9
231.13736	7.0
241.19521	9.8
243.17532	6.2
243.25117	6.9
245.09619	5.0
247.07440	8.6
259.20697	5.0
259.23923	4.2
261.09311	6.5
262.09735	6.2
269.19058	18.6
274.09628	4.7
287.20050	32.1
287.23343	8.3
290.09286	30.3
291.09958	6.2
305.07968	16.1
305.11618	100.0
305.17554	4.6
305.21109	63.3
305.24637	25.4
305.28720	18.6
306.08850	6.2
306.12238	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	305.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	100.0
57.02735	1.8
61.02922	2.1
66.37106	1.7
69.03423	2.2
69.78061	9.7
70.98127	21.7
71.95260	6.0
72.08144	4.7
72.96033	2.6
74.97602	3.0
81.04531	4.3
82.42380	1.8
84.08148	2.8
84.96040	4.1
85.02906	6.8
87.05598	1.8
88.99162	15.1
97.02898	5.5
98.21617	2.2
98.97584	72.5
107.00191	4.3
110.97550	4.8
112.99151	2.4
113.03490	1.9
115.00726	3.0
116.98621	64.1
119.01923	3.7
119.04935	2.0
124.95482	8.2
125.02330	4.1
125.07112	2.7
127.03932	3.9
128.98642	9.5
131.00186	8.7
131.01906	2.7
131.05576	1.8
133.01746	4.8
134.99666	42.1
140.65208	1.8
140.98587	3.5
142.96509	14.1
143.00143	6.4
143.03395	4.1
143.08156	19.4
144.98061	4.1
145.01732	5.8
146.99669	12.8
147.04408	5.7
149.01259	4.1
153.00722	6.4
154.96519	2.6
158.99692	12.7
160.97552	11.2
161.01230	14.0
161.02975	4.2
161.06638	3.3
162.99152	5.2
163.02739	2.2
165.00710	11.5
170.96017	3.3
172.97580	14.4
173.01323	4.3
173.02924	3.2
173.06670	2.7
174.99136	10.8
177.00694	14.5
179.02316	2.7
184.97548	5.5
185.01277	2.1
185.02863	2.4
186.99219	3.2
188.97066	31.4
189.00745	8.2
190.98651	44.9
191.02289	7.7
193.00162	16.9
196.54628	2.9
201.00696	7.2
202.98640	20.6
203.02290	3.6
203.04002	4.4
203.07756	2.8
205.00227	10.9
206.98125	25.0
207.01753	10.5
208.96411	2.5
208.99701	13.7
214.98643	8.3
215.07639	3.3
217.09288	2.3
219.01823	8.5
220.99718	20.3
221.05125	2.6
223.01242	8.1
224.99062	2.4
230.03424	2.2
230.98126	25.4
232.96422	3.8
232.97496	2.4
232.99728	21.4
235.01279	8.5
237.02776	3.9
239.00752	4.3
244.99748	6.7
245.05151	5.3
248.99188	19.2
251.00781	4.4
263.00699	28.0
281.01840	42.0
286.02548	2.9
299.02719	9.3
305.01727	5.6
305.05231	3.6
305.11267	16.9
323.02847	4.4
323.06485	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	304.2633
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.03941	0.4
53.13013	0.2
55.01861	0.7
55.05508	6.2
56.05018	0.3
57.07076	1.6
58.06597	0.3
58.07411	0.4
60.04507	0.2
65.03931	0.7
67.05501	17.9
68.05853	0.2
69.03437	0.2
69.07063	6.3
70.06591	2.0
70.07397	0.2
71.06914	0.7
71.08619	0.6
71.59367	0.4
72.04504	0.5
74.70529	0.2
79.05489	6.3
81.07052	13.9
82.06581	0.4
82.07361	0.5
83.04975	0.4
83.08617	1.6
85.05284	3.0
86.06066	1.3
88.07623	1.7
89.07942	0.9
90.08030	0.2
91.05467	2.7
93.07038	5.9
94.07348	0.4
95.04974	1.4
95.08602	11.7
96.08913	1.6
97.06521	0.7
97.10162	0.5
98.06049	17.5
98.09696	0.4
99.06846	0.4
100.07678	0.2
102.09150	0.4
103.09534	0.3
105.07020	1.8
106.07359	0.3
106.08654	0.6
107.08566	3.3
108.08162	0.3
108.08976	1.0
109.06493	0.4
109.10159	4.0
110.09699	0.4
110.10495	0.5
111.06789	0.2
111.08086	0.3
111.09028	0.2
112.07610	2.1
114.12989	0.2
117.07017	0.5
119.08576	2.1
120.08116	0.2
120.08907	0.5
121.10139	2.4
122.10497	0.6
123.11674	1.1
124.07566	0.6
124.11237	0.4
124.12040	0.4
125.08341	0.3
126.09147	0.6
129.82642	0.2
131.08530	0.7
133.10101	1.3
134.10489	0.5
135.08095	0.3
135.11710	1.7
136.12004	0.5
137.13252	0.4
138.09143	0.6
140.10692	1.0
145.10121	0.8
147.11665	1.1
148.12091	0.2
149.13248	0.7
150.13600	0.3
152.10687	0.7
154.12267	1.2
157.10081	0.2
159.11662	0.6
160.12047	0.5
161.13235	0.8
163.14870	0.4
164.15221	0.3
166.12280	0.5
168.13823	0.8
171.11635	0.3
173.13254	0.4
174.13557	0.3
175.14740	0.4
177.16411	0.3
180.11081	0.2
180.13884	0.3
181.12173	0.2
182.15324	0.5
187.14789	0.3
188.15222	0.2
189.16347	0.2
194.15427	0.3
196.16983	1.0
202.16747	0.4
203.17981	0.4
204.18352	0.6
208.14067	0.2
208.16890	0.9
210.18584	0.2
220.17064	0.2
222.18442	1.1
234.18463	0.4
236.20068	0.6
238.21700	0.2
244.21378	0.3
248.17401	0.2
248.19887	0.3
258.23019	0.7
260.20651	0.3
262.21500	0.2
286.22522	0.6
286.30191	1.1
287.20157	0.2
287.23676	0.2
304.05334	1.5
304.26331	100.0
304.31116	19.4
305.05319	0.2
305.21216	0.4
305.26721	5.5
305.30402	0.4
305.31589	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.05515	17.7
55.90599	1.6
56.05836	2.5
57.07069	7.8
57.68633	1.6
58.07404	2.7
58.29233	1.6
67.05501	39.1
67.05865	2.1
68.05843	7.2
69.03424	2.1
69.07066	25.3
70.06582	5.1
70.07382	6.2
70.12490	7.7
70.56541	1.7
71.04978	2.2
71.08631	2.0
73.06548	1.5
79.05484	16.0
80.05810	5.9
80.28378	1.6
81.06581	2.2
81.07051	41.0
82.07388	10.3
83.04967	2.8
83.08594	10.3
84.08946	4.1
85.05274	2.5
85.06557	2.1
88.07626	4.9
89.07950	3.4
91.05474	11.0
92.05795	5.2
93.07037	31.9
94.07357	14.0
95.04928	3.0
95.08602	94.2
96.08929	50.5
97.06506	3.5
97.10165	4.9
97.25674	1.4
98.06049	16.5
98.06719	1.8
98.06855	1.5
98.10487	3.1
105.07029	18.5
106.07373	11.6
107.08585	38.2
108.08910	28.3
109.06502	1.8
109.10144	35.5
110.10480	21.6
112.07608	2.7
117.06966	2.3
118.07312	2.2
119.08575	28.5
120.08896	23.4
121.10129	32.4
122.10465	20.5
123.08022	3.4
123.11699	11.1
124.08335	2.3
124.12061	7.1
125.06020	2.4
126.06285	2.8
131.08543	5.0
132.08891	5.1
133.10124	19.6
134.10460	18.7
135.11690	26.5
136.12019	29.7
137.09601	1.9
137.13278	3.6
138.10002	3.6
138.13628	3.0
139.07529	2.3
141.09096	3.6
142.09482	3.6
144.08966	1.5
145.10129	12.1
146.10408	11.5
147.11684	13.7
148.12045	15.1
149.13266	11.6
150.13599	11.1
155.10664	2.0
156.11002	3.3
157.10094	2.7
159.11702	9.0
160.08452	1.6
160.12006	13.2
161.13264	13.2
162.13579	18.8
163.11118	2.6
163.14816	9.2
164.11624	1.6
164.15175	12.2
172.12061	1.8
173.13232	8.7
174.13612	14.0
175.14781	4.1
176.11501	1.9
176.15169	7.4
181.12225	2.8
182.12601	1.9
185.13181	1.6
187.14787	4.6
188.15173	13.3
189.16270	3.2
190.13078	1.9
190.16742	5.7
194.12553	2.0
200.15247	2.2
201.16455	4.4
202.16685	13.2
203.18036	8.5
204.14594	1.6
204.18266	23.3
207.13776	4.3
208.14078	5.7
212.15147	1.7
215.17839	3.0
216.14450	1.8
216.18288	8.2
219.13777	2.8
220.14149	3.8
222.15636	4.9
226.16682	1.9
233.15398	1.8
234.15712	11.5
238.41498	1.6
244.17760	2.2
244.21327	10.2
248.17302	6.7
257.22577	2.7
258.22968	42.4
262.18701	5.6
268.21304	2.7
286.22458	23.9
286.30103	4.1
304.05356	15.2
304.23410	100.0
304.26398	85.3
304.31100	54.3
305.23840	4.3
305.26801	3.5
320.88727	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
55.05514	2.2
56.05039	11.8
56.96549	3.2
57.03438	3.8
58.06600	5.5
61.02928	11.4
67.05504	2.2
68.05044	2.7
68.05835	2.0
69.03444	2.2
69.07063	2.2
69.59179	9.0
69.59599	2.2
70.06596	18.6
72.08146	5.9
73.02908	4.8
73.35023	1.7
74.06086	4.4
81.03427	2.7
81.07067	2.4
84.04512	5.6
84.08143	3.9
84.66033	1.5
85.02908	11.5
85.07677	4.4
85.08479	1.7
85.35284	1.4
86.06066	15.8
86.09691	9.7
88.03996	3.9
95.08639	8.8
96.08955	3.2
97.02905	5.0
98.20797	3.1
98.97601	4.4
99.04530	2.1
100.04006	3.9
101.00835	1.5
102.05546	8.9
107.08566	3.6
108.08875	1.6
109.02940	1.6
109.10180	1.8
110.10480	3.1
111.04475	2.4
114.05534	47.7
116.07104	2.7
116.98671	2.7
119.01895	8.2
119.04971	1.7
119.08609	2.3
120.02027	2.5
122.10439	2.6
124.07584	7.8
127.03994	3.5
127.05016	3.2
128.02356	1.8
128.07106	3.5
129.06586	4.0
129.10213	2.2
130.05034	2.5
131.01898	3.0
136.12016	3.0
137.03001	3.1
141.10205	12.1
142.08617	7.4
143.11800	2.6
145.03474	2.7
145.04955	2.1
145.09746	2.6
147.03120	2.3
157.03491	1.7
157.09755	5.9
160.04550	2.1
161.02968	7.9
168.11365	4.0
169.09819	2.0
173.02931	3.6
173.09261	2.2
175.11943	3.3
185.02982	4.7
185.09221	100.0
186.07664	5.0
187.04555	3.4
191.43727	1.6
192.05481	2.0
196.10748	3.2
203.03955	3.0
203.10300	3.9
205.04495	4.8
205.54655	2.1
208.06053	2.4
213.03378	1.6
214.05132	2.1
214.11922	2.1
225.55801	2.8
240.13383	3.0
245.05139	2.2
247.03012	2.2
258.14517	2.7
263.06024	1.9
268.12854	3.9
281.07224	7.2
286.13989	67.0
304.14996	16.4
304.23676	4.4
328.10391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42250	0.6
53.03944	1.3
55.01857	1.6
55.05498	1.0
57.03423	2.5
57.67689	0.7
58.06578	1.1
60.04526	7.4
60.79497	0.6
61.02930	4.1
67.05492	1.0
69.03431	12.0
69.07070	31.3
70.06581	1.5
71.04972	1.3
71.08633	19.1
71.50611	1.0
72.08163	1.1
73.02912	2.4
79.05489	0.8
81.03415	7.0
83.01318	0.7
83.08595	0.7
84.04493	2.9
85.02905	53.7
86.02441	4.5
86.09721	1.7
91.03957	1.0
96.08141	3.5
97.02894	33.6
97.06528	4.5
99.04448	2.4
103.03941	6.0
109.02874	9.6
110.02483	0.8
110.09722	0.9
114.09165	16.9
124.07573	1.3
127.03906	12.1
138.09151	2.0
139.31375	0.7
142.08632	100.0
143.08946	1.0
145.04951	7.5
147.04417	0.9
155.32840	0.7
156.10185	2.9
172.09674	1.0
180.10164	1.1
184.09694	69.1
185.09984	1.0
208.09695	14.8
220.09720	2.2
238.10724	2.3
250.10767	7.9
251.10919	0.9
253.19591	0.7
286.12961	1.3
304.05356	1.9
304.13907	3.2
304.17102	1.0
305.15826	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	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
54.23176	0.9
55.01867	1.8
55.05506	3.3
56.05027	2.6
56.96552	2.7
57.03428	4.2
58.06606	1.4
60.04527	8.6
61.02925	3.3
67.05494	3.0
68.05006	1.7
69.03430	13.0
69.07068	41.4
70.06577	3.0
70.07360	1.3
70.10361	4.8
71.04993	3.1
71.08633	17.9
72.08138	4.4
73.02902	1.6
74.06061	2.6
79.05491	2.8
81.03430	8.1
81.07052	3.0
82.07362	1.6
82.94224	1.2
83.04984	1.5
83.08611	1.1
84.04503	8.6
85.02906	59.1
86.02455	7.0
86.09704	10.2
91.05489	1.6
93.07061	2.9
95.06107	1.7
95.08612	7.0
96.04469	1.7
96.08127	1.9
96.08930	3.2
97.02889	39.4
97.03518	2.2
97.06514	5.2
98.97578	2.8
99.04452	2.5
100.07697	1.1
103.03928	5.0
104.07104	1.8
105.07009	2.9
107.08588	4.4
108.08973	1.7
109.02882	10.2
109.10145	3.9
110.10523	1.2
114.05524	6.7
114.09167	18.6
115.03950	1.2
116.07091	1.5
116.19825	1.0
116.98669	2.3
118.08669	2.8
119.08585	2.4
121.10136	1.7
122.10465	2.1
123.04470	1.1
123.08121	1.7
127.03934	16.2
130.06519	5.9
132.10226	3.6
133.10115	2.1
134.08133	2.5
135.11748	1.9
136.12022	1.3
138.09137	2.2
142.05003	8.0
142.08636	100.0
143.08958	1.5
143.11803	1.9
145.04962	7.6
145.09775	2.0
146.99593	1.3
148.12024	1.3
153.01741	2.7
156.10170	1.7
163.03987	1.3
169.06195	1.4
170.04556	2.4
173.09288	2.6
173.12999	1.6
184.09697	69.0
185.09148	2.3
190.08588	1.3
202.06712	1.5
203.07527	3.8
204.18289	1.5
208.09714	16.1
219.09027	2.0
220.09644	2.4
238.10841	2.0
250.10715	8.8
258.23044	2.2
286.12216	2.1
286.22333	2.1
287.10138	2.4
304.05322	2.3
304.13818	3.6
304.23615	5.9
305.15768	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	303.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98542	3.1
51.95028	3.7
55.05515	30.6
57.07071	8.0
59.04955	3.5
67.05505	33.2
69.07066	40.1
70.85847	5.8
71.04978	5.0
79.05489	15.5
81.07054	41.6
83.04950	5.0
83.08613	23.2
85.06535	4.7
91.05458	15.2
93.07046	33.3
95.04971	7.3
95.08604	100.0
96.08929	4.1
97.06519	7.0
97.10149	15.6
101.74674	3.3
105.07030	21.0
107.08599	41.0
109.10155	39.6
111.08035	5.0
111.11709	5.3
119.08566	33.7
121.10136	38.8
123.11687	12.7
125.13273	4.1
131.08611	4.8
133.10132	28.0
135.11678	48.3
137.13216	5.0
143.08600	4.6
145.10114	6.7
147.11690	24.1
149.13245	15.8
151.14767	4.1
153.01799	5.2
153.12691	6.5
159.11674	8.1
161.13251	22.0
163.14848	11.7
171.11702	3.5
173.13257	10.7
175.14836	14.1
187.14760	9.2
189.16440	5.4
201.16377	8.9
203.17952	28.5
203.87334	3.9
207.13661	3.7
210.45113	3.1
213.16345	3.2
217.19432	18.0
233.15300	9.3
235.20497	17.9
243.21033	4.8
253.21663	6.7
257.22629	16.2
267.20801	4.3
275.00784	3.3
278.67215	3.5
285.21967	8.2
289.66187	3.6
299.27072	3.9
303.04968	44.7
303.23166	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03940	2.2
55.05507	16.4
57.07074	4.3
67.05504	22.5
69.03462	2.8
69.07063	18.2
69.95913	7.0
71.04956	2.2
73.14524	2.1
79.05473	9.2
81.07055	33.0
83.04966	6.0
83.08604	9.0
85.06542	4.8
91.05465	11.1
91.36185	1.9
93.07056	27.0
93.45130	1.9
95.05007	2.8
95.08608	100.0
97.06534	15.7
97.10168	7.8
99.08099	2.9
105.07027	22.1
107.08597	45.8
109.06509	3.4
109.09463	3.4
109.10155	40.1
111.03865	2.5
111.08082	4.6
119.08582	35.6
121.10143	34.8
123.08060	4.7
123.11688	12.8
125.05997	3.6
126.05345	2.0
131.08580	8.0
133.10139	31.0
135.08052	19.2
135.11690	33.2
137.09639	7.2
137.13257	4.5
139.07542	2.6
141.09134	2.5
145.10136	11.8
146.36636	2.2
147.11673	25.8
149.09666	2.4
149.13263	14.4
157.10150	3.8
159.11690	18.2
161.09561	3.4
161.13239	21.4
163.11172	9.1
163.14812	9.2
171.11725	6.3
173.13275	16.6
175.11179	7.0
175.14778	9.7
175.50165	2.1
177.12782	7.4
185.13329	4.1
187.11234	2.9
187.14883	12.7
189.12834	3.8
189.16400	8.2
191.17886	4.0
197.13330	2.8
199.14766	3.4
201.12791	3.5
201.16414	8.0
203.14299	3.8
203.17982	25.0
205.15910	2.2
207.13751	4.9
211.14786	3.0
213.16383	2.6
215.14439	3.0
219.13757	2.6
221.15544	3.7
225.16348	2.2
227.18019	2.8
229.15739	3.2
229.19540	2.3
233.15405	6.5
241.19487	2.9
243.21136	4.9
247.16991	2.4
257.22617	19.0
267.21045	6.5
285.22079	25.5
303.04895	9.8
303.19553	3.9
303.23172	78.8
304.23605	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05513	14.0
57.07064	6.7
59.04987	1.6
67.05168	2.1
67.05503	24.1
69.07064	14.6
70.06580	4.7
70.06779	4.6
70.82376	1.2
71.04988	1.5
71.06916	2.1
71.08627	2.2
77.03944	1.8
79.05498	10.5
79.92886	1.4
81.07059	20.6
83.08614	7.6
88.07636	7.9
89.07963	2.3
91.03030	1.4
91.05484	11.0
93.07043	26.7
95.04951	1.9
95.08605	100.0
96.08957	2.2
97.06518	1.5
97.10146	4.7
97.67651	1.4
98.97592	1.7
102.09158	1.7
104.99277	2.2
105.07033	17.9
107.08585	44.8
108.50185	1.4
109.06499	2.1
109.09460	2.6
109.10154	29.9
111.08094	2.5
116.91389	1.6
116.98600	2.1
119.08588	29.5
121.06519	1.7
121.10143	32.2
121.11001	1.7
122.10481	2.0
123.08057	3.2
123.11702	11.2
125.05984	4.1
127.41234	1.8
130.07712	1.8
131.08566	5.4
133.10138	25.0
135.07999	1.3
135.11694	35.1
137.09604	2.1
137.13263	4.3
139.07513	2.6
141.09067	2.4
145.10106	11.2
147.11687	19.6
149.13248	11.8
153.09183	1.7
153.12828	1.7
155.10652	2.0
155.97864	1.4
156.49501	1.6
159.11723	10.1
161.09581	1.4
161.13248	17.9
163.11209	2.9
163.14803	11.6
171.11627	2.9
173.13272	11.3
175.11124	1.7
175.14806	6.7
177.16470	1.8
181.12160	2.0
185.13222	1.7
187.14809	10.3
189.16386	4.6
193.12209	1.9
201.16399	8.2
203.14656	1.5
203.17944	25.8
207.13805	7.0
209.15636	1.5
215.14278	2.6
215.18025	1.9
219.13791	2.4
221.15424	3.2
226.97383	1.5
229.01443	1.3
231.90688	1.5
233.15413	6.2
243.17462	1.8
243.21045	6.1
247.16916	4.1
257.22629	25.9
261.18225	1.5
267.21030	2.4
279.97348	1.6
285.22110	11.0
297.98035	1.8
303.05109	8.4
303.23172	56.5
303.30743	2.7
304.23560	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	303.2317
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05304	1.2
55.05516	13.8
57.07064	4.9
60.41399	1.3
67.05504	19.7
68.85262	1.3
69.03433	1.5
69.07068	16.4
70.06590	1.8
70.86926	1.5
70.87254	2.7
71.04991	2.1
71.90472	1.5
79.05505	6.9
81.07054	25.5
83.08612	6.4
88.07630	2.8
91.05478	8.5
93.07037	22.6
95.04969	3.0
95.08608	73.6
97.06519	3.4
97.10155	4.7
105.07030	19.5
107.08591	37.3
109.06467	1.8
109.10154	34.1
111.08108	2.0
117.07003	1.4
119.08582	28.8
121.10143	29.5
122.60561	1.2
123.08060	4.8
123.11687	10.8
125.05983	2.3
131.08580	6.4
133.06444	1.6
133.10135	23.7
135.08063	1.8
135.11696	24.6
137.09605	5.8
137.13239	4.3
139.07559	3.1
141.09113	4.7
143.08623	1.5
145.10117	11.7
147.11684	20.1
149.02385	1.5
149.13257	14.3
151.07588	1.3
151.14851	2.1
155.10690	2.7
157.10103	1.4
158.10941	1.3
159.11707	14.5
161.09662	1.8
161.13264	20.2
163.11197	2.4
163.14841	19.3
169.10071	1.9
171.11734	2.4
173.13249	14.4
175.11208	5.1
175.14819	9.4
177.12761	1.7
177.16287	2.8
179.10690	1.5
181.12256	1.8
185.13358	2.1
187.14806	11.9
189.12848	2.7
189.16389	4.5
191.17952	2.2
193.12271	5.4
199.14821	2.2
201.12701	1.5
201.16425	10.0
203.17996	18.2
207.13794	7.6
211.14844	1.9
215.14449	1.7
215.17909	4.0
216.25679	1.2
219.13785	2.4
221.15373	4.3
225.16374	1.6
229.15849	1.7
233.15392	9.2
241.19453	3.5
243.17403	1.7
243.21034	4.4
247.16936	5.2
255.21111	1.8
257.22650	33.7
261.18683	2.3
267.21097	4.1
273.22250	1.8
285.22162	19.2
287.23859	1.9
303.23187	100.0
303.30777	25.3
304.23468	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
50.09835	1.5
50.99820	1.4
53.03947	2.7
55.05512	14.3
57.03439	1.8
57.07074	4.4
58.93443	1.4
67.05506	22.4
68.32848	1.4
69.01266	1.4
69.03436	1.7
69.07069	13.0
69.77569	2.7
69.77977	7.9
71.04983	2.4
73.06528	1.8
78.84618	1.5
79.05497	11.2
81.07059	26.8
83.04956	1.8
83.05489	1.4
83.08606	7.3
85.06520	2.9
91.05479	9.7
93.07041	34.5
93.07620	2.0
95.04961	12.9
95.08607	100.0
96.08957	1.9
97.06509	3.4
97.10187	3.5
101.40311	1.5
103.05427	2.1
105.07030	21.7
107.04971	2.9
107.07865	2.4
107.08591	43.5
109.06500	2.4
109.10157	38.7
111.04437	4.1
111.08057	4.2
113.06043	2.2
117.07043	2.2
119.08578	31.3
121.10143	33.6
123.08067	5.9
123.11697	13.5
125.05983	6.1
129.06970	3.3
131.08586	9.8
133.10132	26.7
135.08040	2.7
135.11687	37.3
137.05968	5.0
137.09560	2.9
137.13264	5.1
139.07552	1.8
141.06979	2.6
141.09105	2.3
143.08534	3.1
145.10133	12.5
147.11690	20.8
149.13245	13.1
153.06935	1.8
153.12759	2.9
155.08524	2.5
155.10684	1.9
157.10152	3.7
159.08147	1.7
159.11725	10.8
160.12343	1.9
161.13258	18.8
163.11160	3.5
163.14815	16.6
165.06999	5.0
167.08531	3.1
171.11653	3.3
173.13257	13.2
175.14836	9.5
179.08510	2.6
181.12233	3.4
182.07207	4.1
183.08061	2.2
183.11792	2.0
184.08897	1.7
187.14813	11.0
189.12697	2.5
189.16467	8.8
194.09300	2.2
197.09691	3.6
197.13492	1.8
201.16396	7.0
203.14384	2.0
203.17955	27.6
207.13806	8.2
209.15485	1.8
210.06808	3.2
211.14954	2.2
219.13779	1.9
225.09166	5.6
229.15851	3.5
233.15468	7.5
243.10295	1.8
243.21103	7.0
247.16931	3.6
257.04483	2.0
257.11728	3.8
257.22620	21.1
259.13281	2.1
267.21225	2.1
271.09579	1.8
285.11356	1.9
285.22141	11.3
303.04993	2.0
303.12430	3.9
303.15805	1.8
303.19626	3.7
303.23172	56.9
304.23422	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03933	1.3
55.05505	7.3
57.07056	2.3
59.05001	0.8
65.03947	1.0
67.05502	14.3
68.99781	2.1
69.03416	1.9
69.07064	8.2
69.69054	5.7
71.04980	1.5
78.22240	0.9
79.05493	6.0
81.03429	1.4
81.07050	17.8
82.55544	0.8
83.04974	2.8
83.08600	3.9
84.96906	0.8
85.06536	1.3
91.05486	7.7
93.07039	16.3
95.04969	6.3
95.08606	50.0
97.02903	1.2
97.06523	3.9
97.10155	3.2
97.64770	1.0
98.73989	0.9
99.08096	1.0
103.05462	0.9
105.07031	13.0
107.04939	1.6
107.07865	1.4
107.08593	27.9
109.02869	1.1
109.06503	2.5
109.09465	1.3
109.10155	18.8
111.00760	1.0
111.08114	1.4
113.05991	1.3
115.05470	1.4
117.06991	2.7
119.08575	21.8
121.02856	2.7
121.06491	2.8
121.10146	19.0
123.08059	2.8
123.11693	6.6
125.05966	2.6
125.09611	1.1
131.04942	1.1
131.08546	4.7
133.10123	16.0
135.08034	1.1
135.11694	21.1
137.02341	6.2
137.05954	7.7
137.09561	2.1
137.13245	2.9
138.09151	3.9
141.09094	1.8
143.08554	1.8
145.10104	8.6
147.08022	1.1
147.11670	13.0
149.09666	1.5
149.13280	8.1
151.11241	1.3
153.01833	8.7
153.07004	1.0
155.08566	1.3
157.10132	2.3
159.11687	8.3
161.09674	1.1
161.13254	11.2
163.03926	1.1
163.11177	2.5
163.14850	5.9
164.07076	1.6
165.01851	3.8
165.06952	1.0
166.08626	2.0
167.10715	1.0
167.76729	0.9
169.10094	1.6
171.11682	2.1
173.05959	2.2
173.13240	7.1
175.14862	5.4
177.09181	0.8
177.12761	1.1
179.10582	1.5
181.12238	2.0
183.08083	2.6
183.11734	1.7
185.13313	1.8
187.14806	6.5
189.12810	1.4
189.16400	5.2
193.12234	1.5
199.14870	1.8
201.05492	5.3
201.16347	4.1
203.14375	1.0
203.17958	12.3
207.13826	3.6
209.15541	1.2
211.07527	1.3
211.14865	1.3
215.14310	1.0
215.17899	2.1
219.06606	0.9
219.13936	1.0
221.15436	2.0
225.09323	1.1
225.16425	1.2
227.18033	1.4
229.04968	9.1
229.15930	1.1
233.15343	4.0
241.19562	1.3
243.10019	1.1
243.17436	1.1
243.21127	2.1
247.05986	1.1
247.17024	2.4
257.04471	12.1
257.22635	10.8
261.18625	1.3
267.21185	2.0
271.09647	2.0
285.03882	2.5
285.22070	9.0
294.09833	0.9
303.04999	100.0
303.19632	2.8
303.23138	40.6
304.05371	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	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03922	1.9
55.05518	10.3
57.07071	3.4
67.05509	20.1
69.07070	13.1
71.04994	1.7
71.46880	2.2
79.05495	8.4
81.07065	19.7
83.08602	7.9
90.04037	1.5
91.05470	8.3
93.07044	28.5
95.04987	4.0
95.08609	100.0
96.08911	1.6
97.06528	4.4
97.10169	4.3
105.07035	18.1
105.09658	1.6
107.08598	53.0
109.06512	1.8
109.10155	37.1
111.08018	1.6
115.07589	1.5
119.07794	2.7
119.08584	26.2
121.06538	1.6
121.10145	29.3
123.08069	5.4
123.11725	10.2
124.74316	1.4
125.05988	4.8
131.08583	4.8
133.10141	26.0
135.08070	2.2
135.11696	39.6
137.09624	3.5
137.13275	2.9
141.09103	3.6
145.10107	8.9
147.11676	18.5
149.09523	1.6
149.13266	15.7
153.12784	2.0
157.10149	2.1
159.11703	9.3
161.09639	2.0
161.13252	18.9
163.11177	2.5
163.14832	18.7
173.13278	10.6
175.14832	8.5
177.49203	1.5
181.12233	3.3
187.14883	9.2
189.12703	2.2
189.16391	6.7
199.17426	1.6
201.16408	5.1
203.17958	25.9
207.13864	4.4
219.13811	2.0
221.15286	3.0
229.15912	2.3
233.15263	7.0
243.17297	1.8
243.21068	6.7
247.16864	3.9
257.22702	20.7
261.18604	2.7
267.21179	3.1
285.18973	2.7
285.22165	13.3
303.19763	3.4
303.23193	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	303.2315
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
51.54623	1.2
53.03932	2.1
55.05508	11.4
56.96566	1.3
57.07056	4.8
57.17979	1.3
59.12175	1.5
59.74706	1.4
65.03928	2.8
67.05505	27.1
69.03429	1.9
69.07062	17.1
70.99436	1.8
70.99779	2.4
71.04991	2.9
79.05482	11.5
81.07058	29.7
83.04977	2.2
83.08617	7.6
85.06534	2.4
91.05477	10.3
93.07043	29.5
95.04975	6.7
95.08604	100.0
96.08924	2.7
97.06549	3.2
97.10153	6.0
105.07027	23.0
107.08599	41.2
109.06533	2.4
109.10151	31.8
111.00793	1.5
111.08052	3.0
113.05988	2.3
117.07027	3.7
119.08566	31.3
121.02851	2.0
121.06480	2.9
121.10138	31.2
123.08088	5.0
123.11710	13.6
125.06003	6.1
128.06224	1.5
131.08559	9.9
133.10133	27.6
135.11687	32.6
137.02306	5.0
137.05980	2.1
137.09601	4.0
137.13261	6.1
139.07585	2.4
141.09073	2.6
145.10143	14.8
147.11691	19.9
149.02464	1.4
149.05933	1.7
149.09641	1.9
149.13252	13.2
151.11116	1.4
153.01808	8.8
153.12790	1.6
155.10701	1.8
157.10065	3.1
159.11699	14.4
161.09576	2.0
161.13257	21.5
163.03963	2.3
163.07491	1.9
163.11157	4.1
163.14839	15.0
171.11717	2.0
173.06042	1.8
173.13287	13.1
175.11188	2.9
175.14848	5.5
177.16463	2.1
181.12270	2.4
185.13264	2.2
187.14830	12.2
189.12753	2.2
189.16400	6.4
193.12206	4.8
199.14867	2.5
201.05569	3.4
201.12555	1.8
201.16409	10.1
203.17949	23.4
205.12329	2.1
205.15904	1.7
207.13863	7.1
211.14833	2.2
215.14384	2.4
215.17883	3.1
219.13742	3.4
221.15315	4.1
229.04977	6.1
229.15820	3.6
233.15352	7.3
241.09737	4.9
243.17482	2.1
243.21147	6.6
247.16946	3.5
257.04428	3.7
257.22662	22.7
261.18491	1.9
267.21179	3.7
271.14417	5.8
285.18805	2.4
285.22055	14.0
303.04987	93.5
303.19650	4.5
303.23135	68.3
304.05276	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	303.2317
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05505	16.7
57.07066	4.2
65.03940	1.8
67.05499	20.7
69.07066	20.5
70.12839	6.7
71.04983	2.6
73.06535	2.4
79.05489	8.0
81.07052	30.1
83.04975	3.9
83.08613	13.1
86.74880	1.9
91.05460	11.3
93.07037	34.3
95.04939	5.1
95.08603	73.5
96.08959	2.0
97.06502	3.1
97.10142	7.1
105.07020	28.0
107.08594	39.2
109.06516	4.0
109.10155	43.9
111.04438	1.9
111.08068	4.0
111.11688	3.3
117.07019	4.1
119.07790	3.4
119.08573	34.1
121.06496	1.9
121.10141	38.1
123.08039	4.9
123.11690	14.5
125.05985	3.5
129.06975	2.7
131.08578	11.4
131.33884	2.1
133.10127	26.4
134.10423	2.4
135.08020	3.4
135.11673	28.7
137.02335	5.3
137.09616	3.0
137.13249	6.6
141.09071	4.1
143.08560	3.8
145.10112	20.3
145.11192	2.9
147.11674	22.5
149.13258	21.4
151.14877	2.5
153.01822	6.5
155.10667	4.5
157.10194	4.5
159.11693	22.6
161.09544	2.4
161.13277	20.6
163.11118	2.2
163.14841	16.6
165.01833	2.9
171.11719	3.2
173.13245	18.3
175.11186	2.7
175.14830	10.5
181.12198	2.9
183.11661	3.1
185.13228	3.5
187.14842	22.7
189.12695	3.1
189.16382	6.0
191.10803	2.1
193.12236	5.6
197.13158	2.1
199.14786	2.2
201.16367	17.1
203.17950	17.9
205.12257	4.6
207.13861	10.0
211.14696	1.9
215.14423	3.3
215.17964	6.5
219.13762	5.6
221.15373	5.7
229.04935	5.4
229.15836	3.0
233.15468	9.0
243.17488	3.8
243.21185	9.1
247.16898	9.0
257.04404	4.8
257.22620	51.2
261.18619	3.9
267.21143	2.4
285.22070	21.4
303.04996	68.0
303.19693	4.6
303.23135	100.0
304.05328	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
51.50953	1.9
53.28111	1.9
55.05515	13.1
56.91321	2.1
57.07067	3.2
67.05510	18.2
69.03413	2.1
69.07068	30.2
70.03970	10.5
78.74469	2.1
79.05489	8.6
81.07063	24.8
83.04966	2.0
83.08620	10.9
91.05478	9.4
93.07040	27.3
95.04974	4.0
95.08612	52.1
97.06541	3.2
97.10175	4.9
98.20777	2.4
105.07030	25.9
107.07877	2.5
107.08602	45.7
109.06499	2.0
109.09450	3.8
109.10160	43.4
111.11701	2.6
117.07018	3.4
119.08582	38.3
121.09318	3.7
121.10149	41.4
123.08112	5.3
123.11707	12.3
125.05949	2.5
131.08621	12.3
133.10150	27.5
135.11707	22.0
137.09633	8.3
137.13222	3.4
141.09113	3.2
145.10126	29.2
146.10425	3.2
147.11688	23.6
149.13251	22.8
155.10674	4.8
157.10124	4.3
157.99521	2.3
159.11691	25.9
161.13266	26.0
163.07591	2.9
163.14836	20.6
173.13266	25.7
175.14825	11.7
179.10626	1.9
185.13245	2.5
187.11211	3.2
187.14821	31.0
189.12761	2.6
189.16396	5.9
191.10788	2.8
191.17906	6.0
192.37723	2.0
193.12259	7.8
199.14832	4.8
201.16394	19.8
203.05423	2.2
203.17967	13.8
205.12262	4.6
207.13841	12.2
211.62247	2.0
215.14310	3.8
215.17946	6.8
219.13747	3.3
221.15404	7.4
225.16531	2.6
229.15834	3.9
233.15419	9.5
243.17442	5.9
243.21155	6.8
247.16975	13.3
257.22638	67.2
261.18604	5.5
267.21088	4.4
285.22168	29.9
303.23196	100.0
304.23453	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	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05502	13.0
57.07069	8.8
67.05511	26.0
69.03426	5.4
69.07069	27.2
69.99874	16.8
71.04991	3.0
71.74471	3.7
79.05492	13.3
81.07063	53.4
83.04960	3.3
83.08619	10.6
85.06558	5.3
87.47899	2.9
91.05483	18.5
93.07034	37.1
95.04939	6.1
95.08606	100.0
97.06525	6.4
105.07017	35.8
107.08592	69.3
109.09469	4.9
109.10162	74.9
111.08097	6.3
117.07037	3.8
119.08588	44.9
119.25751	3.1
121.10146	60.3
123.08031	6.7
123.11707	29.1
131.08572	10.7
133.10127	34.6
135.11690	33.4
137.09650	7.4
137.13249	16.9
140.00841	3.4
145.10179	18.5
147.11691	33.0
149.13264	26.0
151.11198	5.8
159.11722	19.2
161.13264	41.1
163.14818	32.5
169.10149	2.8
171.11655	4.2
173.13289	18.1
175.14862	8.6
177.16422	6.3
187.14754	18.1
189.16371	4.8
191.18008	4.0
197.13162	3.2
201.12941	3.8
201.16383	12.3
203.17972	27.2
205.15973	3.6
207.13824	8.6
215.18015	7.1
229.15816	3.8
229.19609	4.3
233.15421	6.2
243.21078	19.2
247.16917	6.5
257.22617	24.7
261.18497	3.3
285.22089	16.9
303.23209	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
50.15417	1.5
53.03966	1.5
53.40261	1.5
55.01863	1.6
55.05507	12.8
57.03421	1.6
57.07066	4.1
65.03934	1.7
67.05503	28.5
69.03437	1.8
69.07063	22.6
69.92619	10.1
71.04985	4.5
71.08600	1.8
75.23783	1.6
79.05500	15.8
81.07056	34.0
83.04965	2.8
83.08626	11.3
85.06543	4.4
85.12000	1.6
91.05478	12.7
93.07034	30.8
95.04939	4.3
95.08607	97.8
96.08946	4.5
97.06520	14.6
97.10159	3.8
98.20831	3.1
99.08131	3.0
105.06377	3.0
105.07038	26.5
107.08597	50.0
108.08919	2.2
109.06515	4.3
109.10159	41.4
111.08092	8.9
111.11713	2.5
117.07001	3.4
119.08586	42.0
120.08932	2.2
121.06515	4.7
121.10144	40.7
123.08074	8.0
123.11698	15.6
125.06003	4.1
125.09658	4.1
131.08566	9.9
133.10139	34.2
135.08035	19.5
135.11694	37.2
137.02353	2.5
137.09616	15.2
137.13292	4.5
139.07582	2.3
141.09099	1.5
143.08536	5.7
144.09378	2.6
145.10124	18.3
147.08051	2.1
147.11685	27.1
149.09584	5.2
149.13254	15.6
151.11206	3.8
153.01830	4.0
155.08534	2.1
157.10144	7.0
158.10866	2.0
159.11676	21.6
161.09644	4.4
161.13258	22.7
163.11208	5.2
163.14836	10.9
167.08626	1.7
169.10094	2.8
170.10860	1.5
171.11726	6.1
173.09642	2.7
173.13232	19.0
175.11247	7.8
175.14792	8.1
177.12744	11.4
177.16315	2.0
179.14270	2.3
181.12292	2.2
183.11729	4.7
185.13242	5.4
187.14819	15.4
189.12793	5.8
189.16458	9.2
191.14310	2.4
191.18065	1.9
197.13199	2.7
199.14833	4.4
201.05490	2.4
201.12755	2.6
201.16429	10.4
203.14304	4.0
203.17973	15.6
205.12418	1.9
205.15855	4.7
207.13797	4.9
211.14859	4.2
213.16420	4.1
215.14311	3.6
215.17967	4.0
217.15869	1.8
221.15440	3.3
229.05005	2.5
229.15918	5.8
229.19559	2.3
233.15289	6.0
241.19507	5.1
243.17470	4.0
243.21042	4.6
247.16940	4.0
257.04364	1.6
257.19543	2.3
257.22644	27.7
259.20700	2.3
267.21036	12.2
275.23407	2.5
285.03867	2.2
285.22116	36.9
303.04984	47.4
303.19687	4.6
303.23157	100.0
304.05359	3.9
304.23575	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
51.90713	0.8
54.94644	1.0
55.05513	13.6
57.07074	4.4
58.61779	0.9
63.09901	1.1
67.05167	1.6
67.05504	20.5
68.05768	0.8
69.07071	11.1
69.59747	3.6
69.60174	4.0
71.04992	1.5
73.06544	1.2
74.55444	0.9
79.05495	9.3
81.07060	20.3
83.04980	2.9
83.08604	6.6
84.51273	0.8
85.06535	1.2
85.10218	0.9
91.05474	6.8
93.07043	21.3
95.04974	2.2
95.08607	100.0
97.06516	2.6
97.10149	4.2
98.21573	1.5
103.09444	0.9
105.07044	17.2
107.04939	1.1
107.08598	36.6
109.06519	1.5
109.10155	32.2
110.10534	1.0
111.08085	2.2
111.11768	1.1
113.05998	1.5
117.07012	1.8
119.08583	27.9
121.06473	1.8
121.10139	26.9
123.08090	1.9
123.11693	8.8
125.05971	4.3
127.07540	1.4
131.08560	4.7
133.10141	21.2
135.11688	37.0
137.09564	2.1
137.13226	4.7
139.07547	1.5
143.08571	1.3
145.10132	8.6
147.11694	16.7
149.13257	10.5
153.09117	1.3
153.12749	0.9
157.10153	1.6
158.10844	1.1
159.11676	10.2
161.09721	1.5
161.13274	16.2
163.11256	1.9
163.14824	8.3
171.01419	2.1
171.11673	2.3
173.13258	11.2
175.14870	5.6
179.10664	1.3
181.12282	3.1
183.11794	1.3
187.14789	8.7
189.12784	1.9
189.16399	5.3
191.18021	1.6
193.12302	1.3
195.13718	0.9
197.13203	1.6
199.14758	1.2
201.16386	6.7
203.14354	1.3
203.17955	27.7
207.13855	7.1
211.14915	1.6
215.17941	2.9
219.13852	2.5
221.15376	3.4
232.07901	0.9
233.15381	6.1
241.19669	1.0
243.21127	5.3
247.16980	4.1
250.96220	1.0
257.22638	21.0
267.21127	2.4
285.22107	12.0
303.23172	52.2
304.23441	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05515	13.3
56.51289	2.1
57.07065	8.2
67.05497	21.6
69.07063	15.3
70.06573	3.1
70.79427	6.7
71.08620	2.3
75.54466	2.1
79.05485	10.3
81.07057	26.9
83.08638	11.7
85.06536	2.8
88.07632	5.3
91.05485	10.2
93.07047	29.5
95.08604	100.0
97.06536	3.1
97.10149	6.0
105.07027	16.7
107.08586	39.9
109.09466	3.2
109.10159	44.1
117.07010	4.5
119.08585	29.6
121.10146	32.8
123.08042	5.3
123.11692	11.9
125.05994	3.1
131.08560	8.4
133.10130	24.9
135.11679	37.1
137.09619	6.2
137.13246	2.9
139.07530	2.6
141.09097	8.8
145.10133	15.8
147.08035	3.0
147.11691	24.4
149.13248	20.5
155.10683	6.2
159.11674	17.6
161.13240	22.3
163.11134	3.4
163.14832	25.6
171.11708	2.6
172.49457	2.0
173.09560	2.9
173.13269	17.6
175.11183	2.4
175.14867	11.2
175.96365	2.4
177.16370	2.5
181.12178	2.5
187.14763	14.6
189.16374	6.5
193.12228	5.8
201.16374	9.4
203.17947	21.8
205.16000	2.4
207.13881	8.6
211.14771	2.7
215.17943	4.8
219.13770	4.6
221.15381	4.6
233.15373	10.3
243.21082	6.4
247.17070	5.9
257.22638	42.1
261.18533	2.7
267.20911	2.5
285.22110	23.4
285.29865	3.1
303.05130	2.6
303.19705	3.7
303.23181	97.4
303.30823	55.9
304.23395	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	303.2316
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03945	1.4
55.05510	6.4
57.07079	6.4
65.24876	1.2
67.05235	1.2
67.05505	15.2
69.07056	10.4
70.06594	6.6
70.79389	1.6
70.79722	3.2
71.08619	3.2
73.00764	1.3
79.05476	5.9
80.55793	1.2
81.07049	15.5
83.08595	4.2
88.07623	8.8
89.07946	2.6
89.90228	1.2
91.05477	6.9
93.07043	14.2
95.04954	2.3
95.08604	62.2
97.06515	1.5
97.10139	3.7
102.09157	2.6
105.07030	10.9
106.08640	5.9
107.08575	27.3
109.10152	22.5
117.07028	2.1
119.08574	19.4
121.10141	18.1
123.08002	2.0
123.11673	6.0
125.05989	2.3
131.08533	4.5
133.10130	16.2
135.11681	22.2
137.13211	1.4
139.07547	2.4
141.09074	3.2
145.10106	5.8
147.11684	12.6
149.13258	8.0
153.12654	1.5
159.11665	7.8
161.13252	13.2
163.14778	9.7
169.85559	1.5
173.13211	7.5
174.26193	1.6
175.14806	4.6
177.90741	1.3
181.12248	2.5
187.14743	6.3
189.12679	2.1
189.16368	2.3
199.14827	2.5
201.16368	5.0
203.14221	1.5
203.17957	15.3
207.13776	3.8
219.13860	3.2
221.15396	2.9
233.15297	5.6
243.21046	3.2
247.16937	2.2
257.22653	13.3
261.18433	1.8
267.21051	2.6
285.22144	8.4
285.29776	5.8
303.05023	9.0
303.23230	40.4
303.30853	100.0
304.26334	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	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03961	1.1
55.05510	10.1
57.07058	2.9
59.43688	1.0
63.01062	0.9
64.42546	1.0
67.05172	1.5
67.05508	17.0
69.03431	1.2
69.07068	9.2
69.64355	7.3
71.04997	1.7
79.05500	9.1
81.07063	20.1
83.08628	6.0
88.21433	1.0
91.05481	7.7
93.07057	22.7
95.04941	1.5
95.08612	100.0
96.07670	1.2
96.08941	1.8
97.06520	2.0
97.10162	5.0
105.07039	15.1
107.08604	34.8
109.06507	2.2
109.10156	24.6
119.07795	2.1
119.08588	23.6
121.09309	2.1
121.10148	23.8
123.08041	2.0
123.11710	8.7
125.05990	4.5
125.73348	0.9
131.08554	4.8
132.09605	1.0
133.10136	23.8
135.11694	33.0
137.09662	2.0
137.13235	3.3
139.07545	3.1
141.09010	2.1
141.48875	1.1
145.10136	8.4
147.11694	16.4
149.13252	12.0
153.12677	1.3
155.10704	1.6
159.11722	10.6
161.13254	14.1
163.11261	3.1
163.14841	7.7
165.09142	1.0
169.10149	1.0
170.96219	1.0
171.11736	2.5
173.13248	12.2
175.14815	5.4
177.12801	1.2
177.16342	1.4
181.12219	3.1
185.13260	1.9
187.14839	8.7
189.12743	1.8
189.16484	5.3
190.17046	1.2
193.12283	1.8
201.16331	6.0
203.17973	24.8
207.13844	6.8
209.15419	1.5
211.14778	1.2
215.17978	2.1
219.13747	1.2
221.15341	4.3
233.15358	7.9
243.21144	4.7
247.17012	2.5
257.22623	19.6
267.21060	2.0
272.93091	0.9
285.22165	9.4
303.23199	48.4
304.23602	2.2
319.71545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05510	10.4
57.07069	2.5
67.05516	14.3
69.07069	7.5
69.20249	1.6
69.76776	11.4
79.05491	7.3
80.64394	1.8
81.07063	16.8
83.05013	2.8
83.08620	6.2
91.05474	6.3
93.07050	22.6
95.08612	100.0
97.06506	2.8
97.10184	3.9
105.07039	11.3
107.07890	1.8
107.08601	29.3
109.10165	33.2
111.08089	2.0
119.08585	25.5
121.10145	28.5
123.11742	9.3
125.05990	5.7
131.08594	4.5
131.67979	1.7
133.10136	18.5
135.11710	33.2
137.13261	3.8
139.07527	3.0
145.10112	6.9
147.11717	15.0
149.13289	8.9
153.12706	2.6
159.11699	7.7
161.13287	18.0
161.82588	1.4
163.11232	3.4
163.14810	8.8
169.10101	2.2
170.08377	1.5
173.13281	12.2
175.14818	3.8
181.12303	1.9
184.23000	1.9
187.14842	9.0
189.12787	1.7
189.16454	4.6
193.12254	2.7
201.16437	5.8
203.17973	26.6
207.13821	6.0
215.17905	2.3
219.13776	2.4
221.15356	2.6
233.15453	7.6
243.21127	4.0
247.16812	2.7
257.22607	18.5
267.21225	2.1
277.52386	1.7
285.22092	10.4
285.24939	1.6
303.23206	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	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
52.58876	1.3
52.68349	1.1
52.92318	1.1
55.05510	11.9
57.07067	2.5
67.05177	1.5
67.05502	22.8
69.07073	11.9
70.83395	4.2
71.04967	1.2
79.05482	10.9
81.07055	22.6
83.04972	1.1
83.08620	5.8
91.05458	10.6
93.07039	25.3
95.04934	1.5
95.08604	100.0
97.06495	1.8
97.10156	3.5
105.07028	17.8
107.08591	39.2
109.06506	2.0
109.10155	30.3
110.62214	1.2
111.08057	2.2
116.22060	1.2
117.07017	2.3
119.08576	24.8
121.06512	2.1
121.09320	2.0
121.10141	26.8
123.08038	2.5
123.11692	7.5
125.05965	3.9
125.09655	1.5
131.08551	7.9
133.09134	1.7
133.10118	24.6
135.08086	1.3
135.11681	36.1
135.12708	2.0
137.13228	4.5
139.07576	2.2
141.09099	2.9
145.10138	12.3
147.11665	15.6
149.13260	14.6
150.67403	1.1
153.12724	1.1
157.10088	1.3
159.11681	12.0
161.13243	15.0
163.07629	1.1
163.11157	2.2
163.14827	9.8
171.11743	1.5
173.13254	11.1
175.14793	7.7
177.16238	1.7
179.10699	1.4
181.12213	3.0
187.11089	1.5
187.14857	10.9
189.12796	1.7
189.16412	4.2
193.12180	2.2
201.16469	5.9
203.17961	23.8
207.13747	7.4
211.14674	1.4
215.18022	2.1
219.13823	2.4
221.15338	3.0
233.15350	7.3
243.17332	1.2
243.21007	5.9
247.16948	4.1
257.22638	21.0
267.21237	2.3
285.22125	11.6
303.05005	4.8
303.23175	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	303.2317
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
51.69994	1.2
53.03918	1.5
55.05507	10.8
57.07072	2.2
59.27571	1.4
67.05506	17.7
69.07064	9.2
70.33154	5.0
73.06490	1.5
79.05512	7.6
81.07062	14.0
83.08614	5.4
91.05467	7.2
93.07036	19.7
95.04948	1.1
95.08607	100.0
95.46335	1.3
97.06519	2.0
97.10145	3.2
102.46207	1.2
105.07036	14.6
107.08593	39.3
109.10152	27.3
117.06959	2.1
119.08580	22.8
121.10140	25.2
123.11708	9.5
125.05982	4.6
131.08542	4.0
133.10126	23.0
135.10677	2.2
135.11697	34.3
137.13234	3.8
139.07561	3.5
145.10104	7.9
147.11693	15.3
149.13240	8.9
153.12668	2.6
155.10612	1.3
159.11710	6.8
161.13257	14.9
163.11168	2.4
163.14806	7.5
173.13280	8.8
175.14819	6.3
177.16437	1.6
181.12236	3.5
185.13297	2.1
187.14841	9.8
189.16386	5.4
193.12257	1.6
195.13895	1.5
201.16447	6.6
203.17970	24.0
207.13766	6.9
215.14301	1.5
215.17789	1.7
219.13789	2.0
221.15321	3.2
233.15398	9.6
243.21162	5.0
247.17001	2.8
257.22690	19.7
261.18491	1.7
285.22095	10.5
303.23184	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
55.05509	7.5
57.07068	2.0
59.18596	1.9
67.05508	15.9
68.80119	1.5
69.03472	1.9
69.07072	9.1
70.84531	4.8
71.76851	1.7
79.05488	8.0
81.07053	16.0
83.08614	4.9
91.05482	4.8
93.07042	24.9
95.08605	100.0
96.83542	2.0
97.10149	2.9
100.72630	2.0
105.07020	14.1
105.34113	1.6
107.08593	33.9
109.10152	29.0
111.08102	1.9
117.07024	2.4
119.08591	24.7
121.10149	22.3
123.08066	3.5
123.11734	4.8
125.05965	4.0
131.08559	4.2
133.10132	19.5
135.11691	35.2
136.66473	2.2
141.50549	1.7
145.10106	8.9
147.11678	16.2
149.13243	9.8
159.11703	6.3
161.13287	13.9
163.11232	3.1
163.14853	5.6
173.13254	11.6
175.14778	5.9
181.12140	4.3
187.14751	8.1
187.98087	2.2
189.12749	3.0
189.16441	4.3
201.16386	5.8
203.17946	27.4
207.13846	7.1
213.66490	2.0
217.87016	1.8
221.15302	3.3
228.79054	2.1
233.15369	7.3
243.21115	4.9
247.17004	2.2
257.22647	20.0
267.21179	2.9
285.22101	11.2
303.23206	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
50.31917	1.0
55.05518	9.5
57.07068	2.7
59.92478	1.2
60.31481	0.9
67.05507	15.4
69.07066	8.2
70.78197	1.1
70.81219	3.5
73.06559	1.6
73.91534	1.0
79.05489	8.8
81.07053	18.2
83.08620	7.4
85.06532	1.5
91.05468	7.4
93.07061	19.1
94.66163	1.2
95.04987	1.2
95.08609	100.0
97.06544	1.9
97.10181	6.0
105.07034	12.8
107.04993	1.6
107.08597	34.9
109.06521	1.8
109.10157	33.7
111.08028	2.4
117.06994	1.9
119.08578	23.9
121.06573	1.4
121.10148	26.8
123.08051	3.1
123.11720	11.6
125.05991	4.9
131.08553	4.5
133.10127	22.0
135.07863	1.1
135.11702	39.8
137.09595	1.8
137.13249	4.3
139.07512	2.0
141.09090	4.5
143.08635	1.7
145.10133	7.0
147.11693	16.9
149.13258	12.6
153.12756	2.7
155.10559	1.5
157.10091	1.5
159.11678	10.3
161.13254	17.0
163.11201	1.9
163.14815	12.1
167.10670	1.9
173.09616	1.4
173.13268	12.0
175.14832	7.9
177.12849	1.4
177.16380	1.8
181.12227	3.8
185.13246	1.5
187.14836	10.3
189.12747	2.7
189.16461	5.5
193.12241	2.4
201.16374	6.7
203.14185	1.5
203.17967	28.7
207.13870	7.2
215.14412	1.9
215.18007	2.2
219.13747	2.3
221.15356	3.9
222.57376	1.1
229.15839	1.7
233.15337	8.3
243.21069	5.5
243.75816	1.2
247.16948	2.6
255.15527	1.0
257.22635	24.0
267.21124	2.5
285.22137	14.8
303.23193	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05515	13.8
57.07068	5.0
67.05169	1.6
67.05504	19.7
68.68432	1.1
69.03420	1.7
69.07062	15.6
70.90613	2.2
70.90966	1.7
79.05494	11.7
81.07056	28.5
83.08614	11.3
83.43991	1.1
85.06538	2.8
91.05476	8.7
93.07047	29.4
95.04949	4.3
95.08607	100.0
96.08941	2.1
97.06525	3.6
97.10168	3.9
105.07024	21.8
107.08596	41.7
109.06523	3.3
109.10154	37.5
109.10909	1.3
111.04435	1.8
111.08064	2.4
117.07015	2.1
119.08581	33.1
121.06526	1.3
121.10146	31.0
123.08047	7.6
123.11706	9.5
125.05983	4.4
125.09618	2.3
131.08574	9.7
133.09116	1.8
133.10136	26.6
135.08076	2.9
135.11696	31.3
137.06007	2.7
137.09612	4.1
137.13226	4.6
139.07556	2.7
141.09099	5.6
145.10124	16.9
147.11682	23.0
149.09596	2.3
149.13255	16.5
151.07486	2.1
153.01849	1.9
153.09143	1.3
155.10658	1.5
157.10107	4.2
159.08131	1.6
159.11728	16.0
161.09607	2.1
161.13264	18.3
163.11180	3.1
163.14822	16.6
165.12741	1.6
171.11639	4.0
173.13280	13.9
175.11159	2.0
175.14809	9.3
177.16429	1.8
179.10591	2.1
181.12216	3.7
185.13258	1.7
187.14786	11.7
188.15526	1.5
189.12773	3.6
189.16365	5.9
191.18010	1.9
193.12263	3.1
199.14804	2.2
201.12741	2.4
201.16431	10.9
203.14313	1.4
203.17979	16.6
205.12216	1.6
207.13809	9.5
211.14789	1.6
215.14296	2.3
215.17976	5.3
219.13754	2.4
221.15305	4.3
233.15421	8.4
243.17473	2.0
243.21057	5.4
247.16980	4.2
257.04492	1.4
257.22632	32.0
260.08090	1.3
261.18469	3.1
267.21304	2.4
285.18600	3.3
285.22086	14.4
303.05057	11.1
303.12466	1.9
303.15939	3.0
303.19614	7.1
303.23148	82.9
304.23447	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
52.54814	1.6
55.05510	7.8
57.07073	2.7
60.29469	1.5
67.05517	15.0
69.07071	6.3
70.16320	3.6
70.16741	5.1
73.77590	1.8
79.05492	7.7
81.07069	17.3
83.08616	6.7
85.06557	1.6
91.05475	5.2
93.07058	23.2
94.50170	1.7
95.08609	100.0
97.06557	1.9
97.10169	5.1
105.07026	15.9
107.08600	30.1
109.10157	30.6
114.67393	1.6
119.08586	24.7
121.10147	24.3
123.08099	3.1
123.11720	10.4
125.05979	7.4
131.08595	4.4
133.10118	17.7
135.11694	38.4
137.09546	1.7
137.13246	4.4
139.07582	2.7
141.09081	3.4
145.10074	7.8
147.11708	14.3
149.13234	11.5
153.12750	1.8
155.10660	2.3
159.11673	5.9
161.13260	12.9
163.11195	3.4
163.14816	12.9
173.13281	10.9
175.14864	7.1
181.12247	5.0
187.14876	7.8
189.12735	2.9
189.16362	4.2
201.16406	3.9
203.17973	27.8
207.13828	5.5
215.17882	3.1
219.13510	1.8
221.15424	4.8
233.15465	9.4
243.17427	2.3
243.21141	5.0
247.16943	4.7
257.22672	21.9
267.21033	3.2
271.30096	1.7
285.22131	13.4
303.23218	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	303.2317
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
50.20359	1.2
55.05510	7.1
57.07064	2.8
59.04984	1.4
67.05501	9.9
68.12383	1.2
69.07069	17.7
69.51241	11.7
71.62799	1.2
72.61175	1.3
79.05483	6.5
81.07051	20.7
83.08606	5.9
91.05476	5.8
93.07055	14.9
95.04974	2.1
95.08606	40.1
97.10163	3.5
101.47979	1.3
105.07040	13.8
107.08597	29.4
109.06498	5.6
109.10155	28.6
111.08102	2.1
111.11691	1.6
112.27406	1.2
112.65524	1.3
113.06032	1.2
115.07562	2.6
115.28575	1.2
118.43332	1.2
119.08579	20.1
121.10143	25.6
123.08073	3.5
123.11715	8.0
125.05975	3.8
131.08540	4.6
133.10126	19.0
135.11679	17.7
137.09610	4.7
137.13263	4.2
139.07523	7.2
140.26483	1.5
143.08499	1.6
145.10123	10.2
147.11694	19.6
149.13249	15.7
151.07545	4.0
153.09074	1.8
155.10683	4.4
157.10051	2.2
159.11676	11.7
161.09598	1.6
161.13257	15.9
163.14842	13.8
165.09137	4.3
167.10623	1.6
171.11697	2.1
173.13268	12.6
175.14854	10.0
177.16396	2.5
187.14822	13.2
189.16418	3.7
191.14539	1.3
191.17996	1.7
193.12178	3.2
201.16380	8.8
203.14317	1.9
203.17891	11.9
207.13908	7.2
215.14342	1.5
215.17914	3.2
219.13817	2.9
221.15355	6.1
224.44229	1.5
229.15829	3.4
233.15364	8.3
241.19687	1.6
243.21109	6.2
244.44974	1.5
247.16930	9.8
257.22626	36.8
258.22922	1.9
267.21014	2.8
285.22128	29.7
303.04956	3.4
303.23172	100.0
304.23288	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03937	0.8
55.05509	10.1
56.88171	0.7
56.96552	1.0
57.03428	1.1
57.07074	3.8
60.04517	4.3
67.05501	18.2
67.34192	0.6
67.60174	0.6
68.05833	0.9
68.99797	1.0
69.03432	1.5
69.07066	12.7
69.50285	5.7
71.05003	1.3
71.08602	0.8
73.06560	1.1
74.24408	0.7
77.03896	1.0
79.05492	10.1
79.68995	0.7
81.07058	23.7
83.04967	2.2
83.08624	6.7
85.06540	1.6
87.04472	1.0
91.05467	8.1
93.07042	24.9
94.07354	0.9
95.04989	4.0
95.08604	100.0
96.08940	2.9
97.06525	3.9
97.09234	0.6
97.10139	3.7
105.07029	17.7
107.04958	1.6
107.08593	39.6
108.08924	0.9
109.06532	2.3
109.10151	31.5
111.00815	1.0
111.04444	1.3
111.08076	2.3
111.11708	0.9
113.06043	1.1
117.07021	2.9
119.08577	26.2
120.08907	1.5
121.02840	0.8
121.06493	1.6
121.10140	25.8
122.10468	1.5
123.04474	0.8
123.08060	3.8
123.11697	10.6
125.05991	5.3
127.07577	1.1
129.07011	1.4
131.08530	6.2
133.10121	23.3
135.08063	1.6
135.11687	37.0
137.02365	2.1
137.05949	1.5
137.09627	1.2
137.13264	4.2
139.07550	2.0
141.09105	2.1
143.08545	1.7
145.10127	11.3
147.11690	15.6
149.13264	10.7
151.07504	1.2
153.01831	3.4
153.09077	1.0
153.12779	1.8
157.10114	1.6
158.10915	0.8
159.08105	0.7
159.11693	9.4
160.12251	0.7
161.09596	1.0
161.13254	17.9
162.13805	0.8
163.11179	3.1
163.14815	9.7
165.01825	1.1
167.10583	0.9
169.10194	1.0
171.11678	2.3
173.09593	0.8
173.13274	10.8
175.11230	0.8
175.14821	7.3
175.65228	0.7
177.12692	1.0
177.16362	1.5
179.10663	1.0
181.12199	2.8
185.13235	1.6
187.14810	9.4
189.12753	2.1
189.16389	5.5
191.10638	0.8
191.17993	1.4
193.12282	2.0
195.13835	1.0
197.13272	0.8
199.14851	1.6
201.05499	1.3
201.12650	1.1
201.16415	6.1
203.14232	1.5
203.17958	22.9
205.12341	0.8
207.13795	5.2
211.14787	0.7
215.14339	1.6
215.17937	2.1
219.13799	1.9
221.15369	2.5
227.17821	0.9
229.04961	2.8
229.15891	0.9
233.15390	6.7
241.19534	1.3
243.17410	1.3
243.21111	5.7
247.16928	2.2
257.04495	1.8
257.18692	1.4
257.22653	16.5
261.18552	1.3
267.20984	2.1
267.25226	0.7
285.03818	0.8
285.18762	1.1
285.22076	9.7
285.25491	0.9
297.34714	0.7
303.04974	36.4
303.19647	3.2
303.23163	53.4
303.27008	3.1
304.05344	3.3
304.23465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0863
Annotation	Homoeriodictyol chalcone
Peak:m/z	Relative Intensity
55.05507	2.1
62.62019	0.5
65.03950	0.8
67.01856	4.3
67.05503	3.5
68.99778	3.3
69.03422	2.0
69.07070	3.4
70.77527	1.1
70.77927	1.4
72.48062	0.6
79.05480	1.8
81.03423	0.9
81.07047	5.9
82.60075	0.6
83.04977	1.2
83.08600	1.1
89.03912	3.2
91.05465	2.8
93.07060	5.9
95.04959	2.1
95.08046	1.2
95.08607	14.3
97.02859	1.4
97.06505	0.7
97.10162	1.4
105.07012	4.0
107.08604	7.8
108.56112	0.6
109.02897	0.7
109.06512	0.7
109.10160	5.7
111.00760	0.9
111.04416	1.5
117.03378	13.9
119.08588	5.5
121.06493	1.4
121.10138	5.5
122.03650	0.9
123.04432	2.5
123.08040	1.2
123.11671	1.6
125.05996	2.3
131.08571	1.3
133.10118	3.9
134.03601	1.5
135.04390	2.0
135.11729	4.7
137.02325	2.1
137.05977	11.0
143.08551	1.2
145.02849	33.1
145.10129	2.3
147.11696	3.7
149.05972	5.6
149.13249	2.1
151.03871	1.7
151.07550	3.5
153.01828	100.0
154.02188	1.3
157.10117	0.8
159.11719	2.5
161.13242	3.6
162.03113	1.2
163.03891	1.8
163.07500	0.8
163.11134	0.7
163.14801	1.4
165.07063	1.7
166.02589	0.8
168.05731	0.7
171.02893	13.7
171.11687	0.7
173.13258	2.3
175.14838	1.3
177.05472	45.5
178.05870	0.9
179.03409	9.3
181.06544	0.6
183.08047	2.0
186.05550	1.4
187.14772	1.5
189.12737	0.7
201.05473	1.6
201.16360	1.7
203.17967	2.4
207.13815	1.5
211.07594	1.2
211.10683	0.6
215.14107	0.9
229.04974	2.6
233.15302	1.1
239.06834	0.7
243.10236	1.3
247.17007	0.8
257.04434	1.4
257.22568	3.1
271.09662	2.7
285.07620	1.0
285.18787	1.0
285.22049	2.0
303.05023	22.6
303.08633	80.9
303.23111	10.5
304.05585	0.9
304.08972	1.5
312.22849	0.7
321.52298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	29.4
61.79350	4.3
69.03428	8.6
69.07078	5.1
70.06582	15.7
71.58310	7.2
71.58684	6.0
72.08149	14.7
73.02914	6.2
81.03423	9.2
83.06104	14.8
84.04504	18.6
84.08138	25.9
85.02895	18.0
86.09689	27.8
90.89991	5.1
91.60395	4.7
93.04514	7.6
95.04974	4.9
95.08595	5.4
97.02893	8.0
98.97590	100.0
104.07084	9.0
110.06031	5.0
110.07183	76.8
116.98634	75.8
119.01901	7.5
121.02822	5.7
125.04621	5.1
127.03909	15.4
128.98605	7.8
129.10225	24.4
130.05038	5.7
133.06136	11.2
134.99644	60.4
137.02286	6.0
141.05339	7.1
143.11769	6.9
146.99698	11.5
153.00673	5.5
153.13971	4.6
156.07701	6.5
158.01244	6.1
158.99644	48.3
171.01398	7.9
173.01205	5.9
177.00731	78.7
195.01746	7.5
200.02325	7.7
201.00729	5.2
201.05844	6.4
217.23476	4.6
219.01636	25.3
230.75731	5.6
237.02913	14.3
250.33707	5.2
257.13779	6.6
270.11493	7.7
303.05524	43.6
303.07886	18.4
303.11084	53.0
303.14264	10.6
303.17752	13.0
303.20557	6.6
321.08435	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	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	17.3
56.96569	42.7
57.03418	15.4
61.02929	57.4
68.86789	9.1
69.03429	51.7
70.50469	33.2
71.04996	10.7
72.08143	11.9
73.02913	29.9
75.96087	8.4
81.03426	13.9
81.34336	7.5
85.02910	87.6
97.02879	32.7
98.97594	68.3
99.04461	11.1
116.98608	29.7
117.01978	8.3
118.08672	10.9
119.01833	30.7
124.00934	10.9
127.03922	45.6
127.77652	8.3
128.02336	17.7
128.98590	15.2
129.51697	8.2
134.99628	8.0
137.02786	16.8
140.08223	11.7
141.05452	10.2
141.06537	10.0
141.08467	8.8
142.96483	9.8
145.04996	9.7
146.99643	24.1
158.99699	11.1
161.02928	14.7
162.01866	10.1
173.01241	12.9
173.02881	10.3
174.04382	10.7
174.99146	18.8
177.00746	18.8
177.02313	10.3
178.03088	10.7
180.88815	9.3
183.02382	19.2
188.97050	16.4
190.03160	9.7
191.03821	14.8
191.05524	9.5
192.02834	15.5
193.00162	31.6
200.04420	15.4
201.00787	16.2
202.98615	9.2
204.02797	22.8
204.52838	9.4
205.00246	10.1
207.01752	11.0
213.03436	100.0
213.05551	14.8
213.53375	9.8
222.03978	59.9
222.05804	12.6
230.98241	11.0
237.02911	11.6
285.11667	9.8
303.05392	16.8
303.08395	81.5
303.13586	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01872	8.5
56.96566	25.0
57.03442	21.0
61.02927	52.2
63.81606	2.8
65.46581	2.5
69.03429	51.4
69.07069	3.9
69.84573	15.3
70.06561	3.0
71.05012	4.4
72.21333	2.7
73.02918	24.8
81.03410	14.9
81.07075	3.3
84.08130	6.1
85.02903	98.5
86.03231	4.2
87.04462	7.9
89.18224	2.8
91.03954	4.1
93.07005	3.8
95.08627	17.7
97.02892	39.5
97.92242	2.7
98.97579	59.2
99.04443	8.6
101.00800	4.4
107.08618	5.6
109.02872	10.0
109.10146	6.8
110.01271	9.6
110.97564	7.5
116.98611	36.4
119.01825	32.5
119.08527	2.9
121.10122	5.4
127.03925	47.0
128.02322	34.9
128.98639	16.8
130.52625	3.2
131.01810	4.2
133.10136	3.1
134.99661	9.0
135.11690	5.2
137.02795	19.6
140.02274	5.7
141.06575	4.8
142.96553	5.9
143.01863	7.6
145.03842	2.5
145.04953	17.0
146.02397	4.3
146.99614	15.7
147.01363	2.9
149.02995	3.8
152.02267	5.4
153.01303	5.5
154.02136	4.0
155.00183	3.9
155.01805	4.1
155.02895	4.3
158.99692	16.3
161.01329	4.4
161.02933	16.9
161.13316	3.9
162.01805	11.3
165.00760	4.1
168.01801	3.2
169.02631	8.7
170.03397	4.8
170.96165	3.4
170.99667	9.5
173.01259	7.8
173.02988	14.2
173.13223	3.5
174.01854	4.8
174.04465	3.7
174.99144	8.4
177.00714	17.9
177.02269	6.5
178.03195	3.8
182.03450	9.4
182.99593	3.8
183.02283	18.3
184.97652	5.5
185.03053	3.7
186.99146	5.0
188.97124	7.7
189.00743	21.0
190.98639	4.7
191.02454	4.2
191.03822	16.2
192.02887	17.7
192.05417	7.7
193.00294	15.0
198.99023	3.8
200.04387	13.6
201.00728	8.2
202.98683	9.4
203.04010	4.6
203.17970	5.4
204.02852	31.5
204.53024	6.0
205.00203	8.9
206.98119	7.5
207.01836	12.3
209.04979	7.7
212.55350	3.2
213.03386	100.0
213.05946	12.1
213.50435	3.4
213.53549	13.3
213.56383	3.6
217.00198	8.4
219.01752	10.1
220.99693	5.1
222.03917	47.4
222.06161	6.0
222.54132	4.7
223.01248	3.1
224.54274	2.9
225.04445	3.1
230.98164	14.3
231.04379	4.2
232.99722	6.2
233.54755	8.9
235.01282	9.4
237.02835	9.6
245.05090	3.8
247.01265	6.7
248.99179	9.1
249.02959	4.2
257.22705	6.1
261.02548	5.1
263.00742	16.3
264.05008	11.8
275.00732	8.6
281.01801	7.4
294.06036	10.3
303.05566	5.2
303.23236	10.7
305.01709	7.8
323.02661	6.5
323.08450	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
53.03937	0.2
55.01865	0.5
55.05497	0.6
65.03938	0.4
67.01868	0.3
67.05491	0.6
68.99789	1.7
69.03415	0.4
69.07056	0.3
70.15230	0.4
70.15584	0.9
71.04947	0.2
77.03959	0.2
78.20052	0.2
79.05492	0.4
81.03425	0.9
81.07053	1.2
83.05007	0.3
83.08614	0.4
91.05467	0.5
92.00695	0.2
93.03394	0.5
93.07027	0.7
95.04971	1.0
95.08608	2.0
97.02868	0.3
97.06536	0.3
101.89591	0.2
105.07023	0.7
107.04931	0.3
107.08607	1.2
109.02877	1.1
109.10159	0.9
110.03671	0.2
111.00793	2.0
111.04458	0.2
117.07022	0.4
119.04948	0.4
119.08563	0.7
121.02858	2.2
121.06480	0.3
121.10174	0.9
122.03640	0.2
123.04430	0.8
123.08012	0.4
127.03918	0.4
129.07065	0.2
131.04929	0.5
133.06499	0.2
133.10115	0.7
135.04358	0.4
135.11707	0.4
137.02335	7.1
137.03351	0.3
137.05971	2.3
137.55499	0.2
145.06479	0.7
145.10149	0.5
147.04382	0.7
147.11667	0.5
149.02344	0.8
153.01830	9.3
155.04916	0.8
159.04361	0.3
159.11795	0.3
161.05992	0.6
161.13226	0.3
163.03931	0.9
163.14795	0.2
165.01834	3.9
166.02588	0.4
167.03357	0.2
173.05977	1.4
177.05518	0.3
179.03392	0.3
183.02882	1.5
183.04460	0.7
187.03894	0.7
189.16409	0.2
191.03394	0.3
191.06952	0.3
195.02950	0.3
201.05470	4.4
201.16406	0.2
203.17834	0.4
205.04968	0.3
211.04005	0.2
215.03448	0.3
219.03165	0.2
219.06537	0.7
228.04160	0.5
229.04962	8.8
230.05435	0.5
239.03383	0.5
240.04678	0.2
246.05374	0.2
247.06027	1.2
257.04446	5.2
257.22623	0.5
258.04956	0.2
271.09735	0.3
274.04761	1.6
275.05402	0.4
285.03931	2.3
285.12173	0.2
303.04993	100.0
303.23099	1.6
304.05341	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	303.0499
Annotation	Tan 931
Peak:m/z	Relative Intensity
53.03944	0.6
54.92310	0.4
55.01877	0.5
55.05508	3.1
67.05506	5.6
68.99791	3.3
69.03437	0.9
69.07072	3.8
71.04990	2.3
71.60662	0.7
76.83980	0.4
79.05484	3.7
81.03429	1.2
81.07057	9.6
81.07520	0.8
83.04983	1.4
83.08627	1.0
85.06555	0.7
87.12460	0.5
91.05489	3.4
92.62579	0.5
93.07046	9.1
95.04977	4.1
95.08613	14.4
97.02879	1.0
97.06564	0.7
97.10201	0.9
100.70289	0.4
105.07043	6.8
107.04977	0.9
107.08598	7.8
107.09283	0.7
109.02888	1.4
109.06509	1.5
109.10159	7.9
111.04444	0.7
111.08049	0.6
111.11732	0.5
115.05454	0.5
117.07021	1.5
119.08581	8.3
121.02863	8.6
121.06496	2.3
121.10146	7.8
123.08082	1.4
123.11708	4.3
125.05964	0.7
125.09663	0.6
127.11243	0.6
129.07043	0.9
130.07799	0.4
131.04951	1.1
131.08514	3.2
133.06517	0.7
133.10129	5.5
135.08051	1.8
135.11671	5.1
137.02351	0.9
137.05986	5.5
137.06956	0.6
137.09634	1.4
137.13278	0.8
139.07545	0.4
139.11238	0.9
142.07779	0.6
143.08583	1.9
145.02721	0.4
145.06512	1.4
145.10117	5.5
147.04395	1.1
147.08086	0.9
147.11702	3.4
149.09662	1.3
149.13293	2.3
151.07596	0.5
151.11230	1.3
153.12761	0.6
155.08562	0.9
155.10718	0.7
157.10094	2.7
159.11711	3.6
161.05975	2.7
161.09668	1.3
161.13269	2.6
163.11226	2.8
163.14868	1.4
165.01846	5.5
165.06963	1.1
165.09097	0.6
165.12733	1.0
169.10133	0.7
171.11726	2.1
173.05916	2.3
173.13274	2.3
175.11234	1.0
175.14853	1.4
177.12807	0.6
177.16444	0.5
181.12262	0.8
183.02863	1.3
183.04352	0.4
183.08038	1.1
183.11673	0.7
185.06029	0.5
185.13203	0.5
187.03911	1.8
187.14862	2.0
189.12804	0.5
189.16393	1.1
191.14278	0.6
197.13301	1.1
199.14804	2.7
201.05495	1.0
201.16391	1.4
203.14262	0.5
203.17949	2.3
205.15846	0.5
211.07552	1.9
212.10612	0.9
213.05331	0.6
213.16420	1.1
215.14304	0.9
215.17975	1.0
217.15907	1.2
217.17928	0.5
225.16510	0.6
227.34889	0.5
229.04959	7.7
229.13376	1.8
229.15646	0.4
231.06612	0.9
239.06912	0.6
241.04933	0.9
243.10316	0.9
243.20996	0.7
257.04456	100.0
257.12848	6.1
257.22568	2.2
258.04865	4.9
259.06094	2.0
267.21097	1.2
271.09467	0.8
285.03949	0.9
285.12396	2.4
285.22150	4.9
303.05072	5.0
303.12961	2.4
303.19653	1.2
303.23172	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	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.52018	0.2
51.39707	0.2
53.03947	0.3
55.01870	0.3
65.03936	0.4
67.01856	0.6
67.05495	0.7
68.99788	1.6
69.03430	0.2
69.07053	0.4
69.21981	0.2
69.98449	0.4
69.98863	0.8
71.19574	0.2
79.05471	0.3
81.03424	0.5
81.07056	0.8
91.05496	0.3
93.03396	0.6
93.07018	0.9
95.04952	0.8
95.08605	0.7
98.21506	0.3
99.12243	0.2
104.45158	0.2
105.07016	0.6
107.08574	0.6
109.02877	1.2
109.10131	0.6
111.00794	1.5
117.06990	0.3
119.08538	0.4
120.08125	0.7
121.02878	1.7
121.06499	0.2
121.10146	0.6
123.04416	0.7
123.44180	0.2
127.03912	0.3
131.04922	0.5
131.08548	0.2
133.02806	0.3
133.06473	0.2
133.10100	0.3
135.04419	0.5
137.02345	6.9
137.03398	0.5
137.05963	1.0
137.09592	0.5
145.02806	0.3
145.06441	0.7
145.10146	0.4
147.11687	0.5
149.02354	0.6
149.06059	0.3
153.01828	8.2
155.04921	0.9
157.06528	0.3
157.10126	0.3
159.04359	0.2
159.11644	0.2
161.05946	0.6
163.03906	1.0
165.01842	3.2
165.06958	0.2
166.02638	0.4
166.04997	0.9
168.05954	0.2
173.05957	0.9
179.03351	0.3
183.02881	1.1
183.04439	0.9
183.07959	0.3
187.03838	0.6
188.16672	0.2
191.03424	0.3
195.02992	0.4
198.15219	0.2
201.05450	3.2
205.05008	0.3
211.04082	0.2
211.07581	0.3
213.05508	0.3
219.06522	0.6
228.04181	0.5
229.04965	8.1
229.13391	0.3
230.05365	0.3
233.04385	0.2
239.03539	0.4
247.06129	0.9
257.04440	5.0
258.04761	0.3
274.04782	1.2
275.05417	0.4
285.04025	1.7
285.12314	0.4
285.18646	0.3
285.22275	0.3
289.68997	0.2
303.04996	100.0
303.22955	1.2
304.05347	5.0
304.08701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01868	0.3
65.03934	0.3
67.01842	0.4
67.05497	0.4
68.99785	1.6
69.07059	0.1
69.12612	0.1
70.90565	0.2
81.03398	0.5
81.07043	0.1
91.05482	0.2
93.03393	0.6
93.07059	0.3
95.04977	1.0
95.08601	0.6
97.69184	0.1
97.73717	0.1
105.07028	0.3
107.04961	0.2
107.05745	0.1
107.08582	0.1
109.02872	0.9
109.10144	0.4
110.03606	0.2
111.00797	1.7
111.04399	0.2
115.05448	0.2
117.07001	0.3
119.08566	0.2
121.02869	2.1
121.10140	0.2
123.04433	0.5
127.03933	0.4
129.06987	0.2
131.04900	0.3
133.06459	0.2
133.10095	0.1
135.04381	0.4
135.08054	0.2
135.11693	0.3
137.02336	6.8
137.03308	0.2
137.05966	0.4
145.02835	0.2
145.06476	0.7
147.04399	0.3
147.11662	0.1
149.02339	0.7
151.03979	0.1
153.01825	9.3
155.04927	0.9
155.06107	0.2
157.06512	0.2
159.04453	0.2
159.11636	0.1
161.05991	0.7
163.03902	1.2
165.01843	3.7
165.03238	0.2
166.02603	0.4
171.02724	0.1
173.05978	1.1
177.01756	0.2
177.05476	0.2
179.03349	0.4
183.01511	0.2
183.02892	1.6
183.04448	0.7
184.05180	0.1
187.03867	0.7
191.03426	0.2
191.06982	0.2
195.02936	0.3
201.05470	4.2
202.05748	0.2
203.17899	0.1
205.05058	0.3
207.02879	0.3
211.03912	0.3
213.05573	0.2
215.03371	0.2
219.02924	0.3
219.06601	0.6
228.04202	0.5
229.04961	8.6
230.05237	0.2
233.04405	0.1
239.03423	0.3
245.04420	0.2
247.06064	1.2
257.04471	5.5
257.22665	0.2
258.04956	0.3
267.03027	0.2
274.04758	1.4
275.05417	0.3
285.03946	2.4
303.04990	100.0
304.05325	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
65.03934	0.5
67.01865	0.3
67.05491	0.2
68.99790	1.6
69.03442	0.3
70.75248	0.3
71.59594	0.1
81.03418	0.5
91.05457	0.1
93.03403	0.7
95.04977	0.7
97.02907	0.1
103.05466	0.2
105.03371	0.2
105.07050	0.2
107.04940	0.3
109.02900	0.9
111.00790	1.6
111.04469	0.2
115.05517	0.1
117.06998	0.3
121.02867	1.9
123.04441	0.6
127.03925	0.4
131.04912	0.2
133.02789	0.2
135.04416	0.4
137.02341	6.8
137.03334	0.3
137.05963	0.2
138.02742	0.1
145.02763	0.1
145.06421	0.6
149.02382	0.7
153.01826	9.6
153.36801	0.1
154.02197	0.2
155.04912	0.9
155.06012	0.2
157.06432	0.2
159.04411	0.2
160.80594	0.1
161.05956	0.7
163.03915	1.3
165.01843	3.5
166.02585	0.5
173.02417	0.2
173.05988	1.5
177.01791	0.1
177.05560	0.2
179.03397	0.4
183.02884	1.7
183.04430	0.9
187.03894	0.8
191.03294	0.1
191.07101	0.1
195.02844	0.4
201.05473	4.6
202.05865	0.2
205.05023	0.6
207.02913	0.3
211.03804	0.2
213.05499	0.3
219.02916	0.2
219.06544	0.4
228.04143	0.5
229.04968	8.5
230.05302	0.3
232.03766	0.2
239.03436	0.4
245.04381	0.2
246.05208	0.2
247.05986	1.0
257.04449	4.8
258.04620	0.1
261.90277	0.1
270.51212	0.1
274.04758	0.9
275.05441	0.3
285.03995	1.9
286.04489	0.1
303.04990	100.0
304.05316	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62199	0.1
53.03948	0.1
54.40992	0.1
55.01859	0.3
55.05505	0.3
65.03930	0.4
67.01852	0.2
67.05492	0.4
68.99781	1.5
69.03420	0.2
69.07057	0.2
70.41013	0.3
71.01349	0.1
79.05452	0.1
81.03404	0.6
81.07040	0.4
83.04962	0.3
83.08598	0.1
86.96227	0.1
91.05458	0.2
92.16597	0.1
93.03403	0.5
93.07030	0.5
95.04962	0.8
95.08601	1.0
97.02895	0.1
97.06497	0.1
103.05441	0.1
105.03384	0.2
105.07032	0.4
107.04915	0.2
107.08579	0.5
109.02880	1.0
109.10137	0.3
111.00802	1.6
111.04429	0.2
113.06025	0.1
114.53709	0.1
115.05435	0.1
117.06996	0.2
119.08550	0.3
121.02856	1.8
121.06470	0.2
121.10114	0.2
123.04413	0.7
123.11736	0.2
125.05980	0.1
127.03925	0.5
131.04906	0.4
131.07048	0.2
133.02831	0.1
133.06494	0.1
133.10129	0.2
135.04431	0.5
135.08029	0.1
135.11665	0.3
137.02338	6.1
137.03357	0.3
137.05952	0.4
138.02728	0.1
143.04895	0.1
143.08565	0.1
145.02887	0.2
145.06482	0.5
145.10138	0.1
147.11685	0.2
149.02345	0.7
149.05975	0.1
149.13242	0.1
153.01822	8.5
154.02185	0.2
155.04913	0.9
155.06035	0.2
157.06511	0.2
159.04417	0.2
159.11690	0.2
161.05977	0.6
161.13251	0.2
163.03905	1.3
163.07576	0.1
163.14848	0.2
165.01840	3.1
166.02663	0.5
171.02913	0.1
171.04344	0.1
173.05997	1.2
173.13200	0.1
177.01927	0.2
177.05463	0.3
179.03398	0.3
183.02872	1.6
183.04433	0.8
187.03934	0.6
191.03409	0.2
191.06918	0.1
195.02901	0.4
201.05463	3.9
202.05836	0.2
203.03557	0.1
203.17958	0.2
204.04306	0.1
205.04926	0.5
207.02888	0.2
211.03964	0.2
213.05522	0.2
215.03391	0.1
217.05045	0.1
219.02940	0.2
219.06499	0.5
220.25359	0.1
228.04158	0.5
229.04951	8.5
230.05319	0.3
232.03706	0.1
239.03407	0.4
245.04428	0.2
247.05983	1.2
257.04425	4.6
257.22629	0.1
258.04758	0.2
267.02942	0.1
274.04684	1.3
275.05371	0.3
285.03922	2.1
285.22055	0.1
286.04620	0.3
303.04974	100.0
303.22754	0.7
304.05328	4.8
304.08081	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67870	0.2
53.03953	0.3
55.01867	0.5
55.05501	0.5
65.03923	0.7
67.01847	0.3
67.05475	0.8
68.99482	0.2
68.99787	2.0
69.00128	0.3
69.03428	0.3
69.07053	0.5
70.88806	0.3
79.05485	0.5
81.03412	1.6
81.07047	0.9
83.04956	0.2
83.08640	0.3
85.01296	0.2
85.02882	0.2
91.05479	0.9
93.03396	0.7
93.07050	1.4
95.04961	1.0
95.08620	1.7
99.04404	0.2
99.08039	0.2
103.05489	0.3
105.07043	1.0
107.04936	0.3
107.08563	0.8
109.02869	1.0
109.06532	0.2
109.10141	0.6
111.00806	1.8
111.04419	0.4
115.05459	0.3
117.07011	0.5
119.04936	0.4
119.08585	0.9
121.02876	2.4
121.06473	0.4
121.10141	0.9
122.03655	0.3
123.04403	0.9
123.08073	0.2
123.11694	0.2
127.03945	0.4
129.07027	0.2
131.04880	0.3
131.08546	0.4
133.02812	0.2
133.06493	0.3
133.10133	0.7
135.04396	0.4
135.11685	0.5
137.02341	7.1
137.03336	0.3
137.05956	2.9
138.02690	0.2
143.04910	0.2
144.05679	0.2
145.02843	0.3
145.06441	0.8
145.10138	0.5
147.04376	0.9
147.11679	0.6
149.02333	0.7
153.01823	8.9
153.06947	0.3
155.04921	0.9
155.08638	0.2
157.06422	0.2
157.10152	0.3
159.11656	0.4
161.05986	0.8
161.13269	0.5
162.34831	0.2
163.03918	1.1
163.14839	0.3
165.01822	3.6
165.06985	0.4
166.02577	0.5
167.07054	0.2
173.05962	1.6
177.05490	0.2
179.03380	0.4
181.06494	0.3
182.07268	0.3
183.02864	1.4
183.04413	0.9
183.08035	0.4
185.05969	0.2
187.03926	0.8
187.14859	0.3
191.03416	0.4
191.06961	0.3
195.02855	0.3
197.34454	0.2
199.07518	0.2
199.14725	0.3
201.05457	4.4
201.16368	0.2
203.18001	0.3
205.04959	0.5
205.08609	0.2
207.02795	0.2
207.06432	0.2
211.07510	0.5
213.05431	0.4
215.03381	0.3
219.06522	0.5
228.04152	0.7
229.04956	9.4
230.05429	0.4
239.03458	0.3
243.10054	0.3
247.06113	1.5
257.04459	5.3
257.11697	0.3
257.22675	0.3
258.04974	0.5
271.09702	0.3
274.04727	1.3
275.05246	0.5
285.03983	2.4
285.11292	0.2
285.22253	0.5
303.04984	100.0
303.23053	1.3
304.01825	0.3
304.05298	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64070	0.1
55.01867	0.4
55.05500	0.4
65.03923	0.5
67.01872	0.3
67.05507	0.8
68.99778	1.8
69.03418	0.3
69.04550	0.2
69.07056	0.6
69.51366	1.3
70.51131	0.2
79.05503	0.3
81.03403	0.4
81.07056	1.3
83.04968	0.2
83.08598	0.2
85.06513	0.2
91.05470	0.5
93.03397	0.6
93.07037	1.1
95.04951	0.6
95.08043	0.2
95.08604	2.6
96.08955	0.2
97.02866	0.3
103.05488	0.2
105.07024	0.5
107.04930	0.3
107.08600	1.1
109.02890	1.0
109.10143	0.8
110.03671	0.3
111.00794	1.8
115.05444	0.2
117.07005	0.4
119.08589	0.9
121.02858	1.4
121.06499	0.2
121.10138	0.6
123.04400	0.6
123.08083	0.2
123.11697	0.2
125.05971	0.2
127.03931	0.3
131.04919	0.6
131.08595	0.2
133.02872	0.2
133.06514	0.2
133.10107	0.6
135.04388	0.5
135.08014	0.2
135.11676	0.8
137.02339	6.0
137.03401	0.5
137.05959	1.0
138.02768	0.1
143.08456	0.1
145.06430	0.8
145.10100	0.6
147.11688	0.5
149.02327	0.9
149.05988	0.2
149.13223	0.3
151.03934	0.2
151.07512	0.3
153.01826	8.5
154.02167	0.3
155.04909	0.6
155.08504	0.3
157.06540	0.2
159.04402	0.3
159.11679	0.3
161.05998	0.5
161.13251	0.3
163.03908	1.2
163.07471	0.2
165.01825	3.3
165.06992	0.5
166.02556	0.5
167.03523	0.2
168.05725	0.2
173.05959	1.3
173.13228	0.2
175.14844	0.3
177.01971	0.2
177.05521	0.1
179.03383	0.3
181.06552	0.1
183.02888	1.6
183.04428	0.7
183.08040	0.7
185.06012	0.2
187.03912	0.7
187.14792	0.3
189.16446	0.2
191.07089	0.1
195.02950	0.4
201.05472	3.8
203.17937	0.5
205.04968	0.4
207.02785	0.2
211.03905	0.2
211.07570	0.6
213.05510	0.2
215.03487	0.2
219.06548	0.4
227.07196	0.2
228.04190	0.6
229.04958	8.8
230.05345	0.4
239.03442	0.2
239.07108	0.2
243.10245	0.4
245.04510	0.3
247.05980	1.0
257.04443	4.4
257.22675	0.5
258.04788	0.3
271.09689	0.8
274.04721	1.2
275.05338	0.4
285.03995	2.0
285.22214	0.5
286.04318	0.2
303.04984	100.0
303.22943	1.4
304.05334	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
55.01876	0.2
59.21553	0.1
65.03929	0.4
67.01874	0.2
67.05498	0.1
68.99435	0.1
68.99791	1.6
69.85476	0.5
72.84706	0.1
81.03410	0.4
91.05482	0.1
93.03416	0.5
95.04974	0.6
105.03391	0.1
107.04978	0.2
109.02871	0.8
110.03703	0.1
111.00803	1.6
111.04426	0.1
115.05470	0.2
117.07008	0.3
120.97063	0.1
121.02873	1.8
123.04477	0.5
127.03892	0.4
131.04924	0.2
133.06490	0.2
135.04436	0.4
137.02341	6.4
137.03313	0.2
145.02840	0.2
145.06512	0.6
149.02361	0.7
151.03885	0.1
153.01830	7.8
154.02158	0.1
155.04906	0.7
157.06570	0.2
159.04337	0.2
161.05971	0.6
163.03928	1.0
165.01837	3.1
166.02643	0.4
171.02950	0.1
173.05972	1.0
177.01765	0.1
177.05511	0.2
179.03397	0.3
183.02884	1.2
183.04448	0.6
184.05188	0.1
187.03857	0.7
191.03398	0.3
195.02902	0.5
201.05466	3.3
202.05823	0.2
205.04976	0.4
207.02898	0.2
211.03923	0.2
213.05487	0.2
215.03336	0.2
219.02988	0.1
219.06503	0.3
228.04124	0.5
229.04965	8.2
230.05339	0.3
231.02805	0.1
232.03726	0.1
239.01523	0.1
239.03568	0.2
246.05196	0.1
246.14848	0.1
247.06021	1.1
257.04459	4.2
258.04990	0.2
274.04755	1.3
275.05405	0.4
285.03940	1.9
286.04608	0.1
303.04990	100.0
304.01797	0.2
304.05319	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28766	0.2
57.73194	0.3
67.05494	0.4
69.07017	0.3
69.40038	2.2
71.06384	0.3
81.07059	0.7
82.99874	0.4
91.05463	0.4
93.07040	0.9
95.08617	2.6
96.08900	0.3
98.20785	0.5
98.97578	1.2
101.00882	0.4
105.07004	0.5
107.08576	1.1
109.10162	1.0
116.98611	1.4
119.01139	0.4
119.01929	5.4
119.08599	0.8
120.02023	0.3
121.10110	0.5
123.11668	0.4
127.28239	0.3
133.10146	0.9
134.99687	0.9
135.11697	0.9
135.99986	0.3
137.02960	2.4
140.98811	0.3
147.11644	0.7
149.13240	0.4
153.00746	0.3
155.01993	0.3
158.99913	0.4
159.11726	0.3
161.13214	0.3
163.14786	0.3
173.13130	0.3
175.02887	0.2
177.00958	11.5
178.01036	1.9
179.00760	1.0
182.99896	0.5
187.14836	0.4
195.01984	0.3
200.02539	0.3
201.00902	0.9
201.16354	0.3
203.17931	0.7
217.04019	2.4
218.03786	0.5
219.02010	22.5
220.02107	3.7
221.01781	1.7
222.01953	0.8
223.01566	0.2
225.00874	2.3
226.01079	0.4
236.99684	0.3
242.03545	0.8
242.99471	0.4
243.01971	6.3
243.04250	0.5
244.02094	1.1
256.96677	2.2
257.22696	0.7
260.04596	0.4
261.03064	100.0
262.03204	20.5
263.02930	2.9
274.97629	0.8
279.00534	1.8
279.98141	0.9
280.01248	0.8
281.00232	0.3
284.04617	4.8
284.99826	1.6
285.04755	1.4
285.21878	0.4
301.00912	0.5
303.00888	2.9
303.05283	4.7
303.23236	1.5
304.05270	0.5
320.98099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3054
Annotation	Sphinganine
Peak:m/z	Relative Intensity
52.32221	0.3
52.81019	0.2
55.05512	0.3
56.01586	0.2
57.07077	6.4
58.06600	0.5
62.06084	0.3
62.49732	0.2
65.42015	0.2
69.06711	0.2
69.07063	0.6
70.06597	9.4
70.84901	0.7
71.08639	2.6
73.80578	0.2
74.06120	0.3
81.07064	0.3
84.22855	0.2
84.62257	0.2
85.10172	1.1
88.07635	13.6
93.07047	0.4
95.08591	0.8
96.08947	0.4
102.09185	4.0
106.08669	8.1
107.08546	0.3
109.10181	0.5
109.84830	0.2
119.08578	0.3
120.08852	0.3
131.08459	0.3
135.08557	0.3
145.10254	0.3
186.13684	0.3
200.15118	0.3
217.85201	0.2
240.26875	0.7
256.21414	0.3
258.27927	0.7
270.13123	0.4
284.29477	6.3
302.30542	100.0
303.23251	0.3
303.30865	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	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
67.05508	1.0
69.03455	0.9
69.07069	5.3
69.36994	2.5
69.37421	2.8
70.06582	1.3
75.05605	13.9
79.05522	0.6
80.40118	0.5
81.03435	0.9
81.07079	1.1
81.52785	0.5
83.04999	0.8
85.02946	1.0
86.09709	100.0
87.10030	0.6
91.04995	0.7
91.05469	4.0
93.03362	0.6
95.04971	0.8
97.02912	1.1
98.21513	1.1
103.05495	0.8
105.07034	0.7
109.02916	0.9
111.00904	0.5
114.85667	0.6
115.05476	0.5
116.28452	0.6
116.98654	0.7
117.07034	1.0
121.02866	0.7
121.06542	0.5
123.04449	0.5
127.03985	1.1
128.06253	3.1
129.07030	2.7
131.04948	0.6
132.10207	11.6
134.99715	0.7
137.02353	1.6
137.05992	2.3
141.06912	1.3
143.08653	3.7
143.11801	76.2
144.12196	0.7
145.06453	0.8
147.04497	0.8
151.07707	0.7
153.01820	2.5
153.07024	1.7
155.08488	0.7
165.01866	0.7
169.06490	1.4
171.08144	2.9
171.11299	29.7
181.06508	2.8
183.08009	0.9
189.12389	4.5
197.05983	1.4
199.07547	5.3
201.05513	1.0
211.07449	0.6
212.99147	0.7
217.08531	0.7
229.04939	2.2
237.02739	1.2
245.18741	0.8
246.04805	0.8
246.40462	0.7
257.04391	1.6
271.09552	0.9
274.04623	0.7
285.04044	0.9
302.11392	1.0
302.20752	1.3
303.05023	25.3
303.08255	1.1
303.12204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
55.05513	5.2
56.05011	0.6
56.96571	1.0
59.85770	0.4
60.58428	0.4
62.55008	0.4
65.03931	0.5
67.05499	0.9
69.03455	0.7
69.07074	1.3
69.48493	3.1
69.48914	0.9
70.06600	2.9
72.08157	100.0
73.08527	0.8
79.05508	0.7
81.03427	0.7
81.07052	1.3
84.04500	0.8
84.08143	1.3
85.02911	0.9
86.09707	27.4
87.05602	0.5
91.05485	8.2
92.05805	0.6
93.07046	0.9
95.04967	1.4
97.02926	0.5
98.20840	1.0
98.97589	1.2
100.07607	1.2
107.05015	0.6
107.08562	0.8
109.06544	0.6
110.07159	0.6
111.04426	0.6
116.98602	0.9
118.08659	1.4
120.08105	0.9
129.10347	0.7
130.06514	0.6
132.10214	7.2
137.05992	1.5
140.07028	0.9
143.11798	70.1
144.12154	0.7
157.13345	6.2
159.09161	0.7
161.01300	0.6
167.07042	0.7
171.11293	40.0
185.12889	4.5
185.16370	1.0
189.12372	1.0
194.06985	1.1
201.00778	0.5
203.13924	0.9
231.17067	2.7
234.98950	1.6
237.02814	1.5
261.09933	0.6
271.09729	0.5
279.03964	0.5
302.11279	0.9
302.15332	0.8
302.30585	0.6
303.05011	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
56.26839	0.6
61.02173	0.7
67.05502	2.3
69.03410	0.9
69.07059	1.6
69.80132	5.0
70.06586	2.7
72.08153	1.6
74.02493	0.6
79.05489	1.2
81.07048	2.5
83.08607	1.1
84.04474	0.9
84.08153	1.7
86.06068	30.4
86.09703	100.0
86.25352	0.7
88.03999	0.7
91.05487	6.6
92.05823	1.0
93.07047	2.5
94.07402	1.2
95.08614	7.8
96.08931	4.3
97.10155	0.8
105.07034	1.7
106.07372	1.0
107.08605	2.9
108.08904	1.3
109.10159	2.3
110.10506	0.8
112.07605	1.0
114.05527	33.9
116.07115	1.0
119.08565	1.6
120.08923	1.5
121.10136	1.6
122.10484	1.0
125.06000	1.1
132.10202	53.6
133.10159	2.1
134.10448	1.6
135.11678	1.6
137.06004	2.5
143.11792	42.4
144.08038	1.0
147.04214	0.8
148.12025	1.1
153.06648	1.0
159.09135	3.4
159.11763	0.9
160.12062	1.4
162.13626	0.9
170.06036	1.0
171.07623	7.0
171.11281	6.1
172.11975	0.9
174.13620	0.7
183.56114	0.7
186.13567	1.2
189.12343	71.2
190.12630	1.2
200.11482	0.9
200.15129	1.0
204.18256	0.9
232.14230	0.8
256.16556	1.7
256.21332	0.8
268.11749	0.8
284.16150	7.1
284.20978	1.0
285.12378	3.2
302.07672	0.8
302.11734	1.6
302.21982	10.5
302.26865	0.9
303.04965	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	302.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
62.78259	0.5
63.39730	0.7
67.05505	2.1
69.03430	1.6
69.07074	1.9
70.02951	2.3
70.06595	3.9
71.04977	0.7
71.56980	1.5
72.08151	9.6
74.29961	0.7
79.05492	1.9
81.03419	0.8
81.07055	2.3
83.05032	0.8
83.08626	1.4
84.04507	1.2
84.08147	1.2
85.02904	1.8
86.05668	0.7
86.06070	30.1
86.09707	100.0
87.05589	3.1
87.10031	1.1
88.03990	4.4
91.05484	10.9
92.05804	0.8
93.07041	2.8
95.04990	1.1
95.08585	5.6
96.08945	2.6
97.02906	1.3
97.06544	0.8
97.10163	1.2
98.10491	0.7
98.82804	0.7
98.97605	0.9
102.05556	0.8
105.07046	1.8
106.07392	0.9
107.04989	0.7
107.08599	1.9
109.10152	1.2
110.10534	1.1
114.05534	31.4
114.19134	0.7
116.03378	0.8
116.07078	1.1
119.08588	2.1
120.08881	1.3
121.06441	0.8
121.10146	2.0
121.22135	0.7
122.10508	0.9
123.04422	0.8
125.09644	2.1
129.10286	0.7
132.10207	55.2
133.06032	4.1
133.10175	1.2
134.10487	1.2
136.12088	0.8
137.05981	2.0
140.07127	1.0
140.08372	0.7
140.65707	0.8
143.11797	49.1
147.04472	1.0
147.11731	1.0
153.06778	0.7
158.10541	0.8
159.11795	0.8
160.12044	1.0
165.75774	0.7
167.11867	0.9
171.07655	7.3
171.11279	7.9
183.08049	1.0
189.12355	75.7
190.12665	1.4
201.00771	0.8
225.09111	1.0
240.12317	1.7
256.16724	0.9
256.21487	1.1
259.13284	0.7
267.13443	3.5
268.11743	4.1
270.97113	0.7
284.16016	6.3
284.21054	1.2
286.13013	0.8
291.03992	1.2
302.11252	1.3
302.22021	6.9
303.05176	3.6
303.08411	0.8
303.12662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43957	0.3
54.03459	1.3
55.01862	0.6
55.05505	0.3
56.05024	0.4
56.96556	1.0
57.03424	0.9
61.02895	0.9
67.05508	0.3
69.03439	3.2
69.07047	0.6
70.06583	1.4
70.30833	1.2
71.01337	0.4
71.04970	0.6
72.08141	1.0
73.02913	1.0
79.05494	0.4
81.03464	0.7
81.04540	33.6
83.06111	0.5
84.08128	1.1
85.02904	3.7
86.06055	0.4
86.09681	1.0
87.04454	0.7
94.17592	0.3
95.06089	0.8
95.08595	0.7
96.08918	0.5
97.02900	1.7
98.97576	0.6
99.04458	0.4
107.08587	0.3
109.02885	0.5
110.07190	2.1
116.07069	0.7
116.98589	0.5
119.01953	0.4
121.10100	0.3
122.07150	27.5
123.05492	0.3
124.08694	1.0
127.03891	0.7
129.10243	0.6
131.00189	0.3
133.10143	0.3
137.06050	0.3
140.08185	100.0
141.06610	0.3
141.08627	1.6
156.07686	0.4
177.00789	0.4
179.11833	1.7
182.09285	0.4
186.12378	0.6
194.54701	0.3
212.10222	0.3
224.13907	0.9
252.13554	0.7
270.14444	0.6
302.13486	97.9
303.13806	4.3
314.39828	0.3
320.15939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03458	1.0
55.05510	1.1
56.05834	0.6
57.03433	1.1
60.36639	0.4
61.02921	1.4
61.38092	0.5
67.05491	1.0
69.03424	4.0
69.07053	0.9
70.06596	0.9
70.39839	2.0
71.04979	0.5
72.08141	1.2
73.02908	1.8
79.05477	0.7
81.04541	35.7
81.07029	0.9
85.02900	5.0
86.09699	1.7
87.04460	1.0
91.05465	0.5
93.07037	1.8
93.67443	0.5
95.08595	5.3
96.08912	2.4
97.02881	2.3
99.04446	0.5
105.07034	0.7
107.08599	1.5
108.08916	1.3
109.10134	1.4
110.10516	0.7
116.07083	0.8
119.01940	0.6
119.08614	0.7
120.08884	0.8
121.10104	0.6
122.07156	30.2
122.10466	0.6
124.08681	1.0
125.05975	0.6
127.03909	1.1
133.10172	1.1
135.11713	1.2
136.12022	0.9
137.03024	0.5
140.08185	100.0
141.08549	1.7
145.03438	0.8
145.04941	0.6
145.10162	1.2
146.10439	0.6
160.12053	0.8
162.13548	0.7
199.98570	1.1
213.03407	0.5
217.99825	0.9
236.53214	0.6
256.21341	0.7
284.20862	1.0
302.13464	86.9
302.21725	5.2
303.10638	0.9
303.13745	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05510	2.7
56.96557	4.6
57.03431	3.3
60.04514	1.2
61.02913	3.9
65.03926	2.7
67.05502	33.9
69.03423	17.4
69.07069	18.2
69.56899	9.3
70.06584	4.7
72.08146	10.3
76.71812	1.1
79.05486	1.8
81.03419	7.9
81.07051	3.8
82.06568	1.9
84.04506	3.2
84.08156	4.7
85.02904	37.5
86.09705	32.9
87.04482	1.6
88.03983	1.8
91.05479	2.9
93.07040	4.8
94.06586	1.2
94.07359	1.5
95.04964	48.4
95.08604	11.9
96.08936	5.3
97.02885	33.2
97.95860	1.4
98.20809	2.9
98.97589	3.6
99.04452	3.5
103.03946	4.9
105.07053	2.3
106.07341	1.3
107.08595	4.7
108.08942	2.4
109.02884	8.6
109.10137	2.3
109.22605	1.4
112.07603	37.2
113.05996	4.3
116.98616	1.6
119.08575	3.3
120.08891	1.8
120.27316	1.1
121.10171	2.9
122.10438	1.7
123.04451	2.6
124.07631	1.8
125.06085	1.3
127.03918	10.5
129.10191	2.4
130.08691	1.4
133.06113	1.6
133.10109	2.0
134.10460	2.1
134.99690	1.4
135.11716	1.7
136.07585	3.5
137.06017	1.7
138.06303	1.4
140.07060	100.0
145.04994	2.8
145.10138	2.0
146.10478	1.3
147.11719	1.6
150.09111	1.3
154.08632	5.9
159.11673	2.3
160.12112	1.2
162.13684	2.3
172.11919	1.4
173.13223	1.2
174.13460	1.3
178.08641	2.6
182.08124	61.9
183.08411	2.4
185.16469	3.3
189.12332	2.6
199.18025	6.9
206.08122	13.7
213.16026	1.3
216.19322	1.3
218.08109	1.5
227.17468	2.3
232.14229	1.3
236.09172	2.5
243.08971	3.7
248.09198	10.1
284.11237	1.3
284.20923	2.8
302.12241	3.8
302.21939	16.4
303.05035	3.4
303.11246	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01862	3.1
55.05505	5.7
56.96558	3.3
57.03432	5.6
57.11691	1.4
61.02916	6.6
65.03943	2.4
67.05498	7.4
69.03429	14.2
69.07059	1.6
70.06615	7.8
70.06906	1.4
71.04971	2.2
71.43174	3.0
72.08159	84.0
73.02914	2.3
79.05486	7.2
81.03425	9.0
81.07063	8.9
82.02990	1.6
83.04974	2.2
83.08613	1.7
84.08146	3.0
85.02911	85.8
86.09715	31.5
91.05487	44.3
93.07049	3.6
94.06572	4.0
95.04958	7.2
95.08579	3.3
96.04504	2.1
97.02900	43.2
97.06496	3.3
98.31941	1.9
98.97568	4.1
99.04447	2.6
100.07614	1.9
103.03946	5.4
108.08137	12.6
109.02875	12.7
112.07610	6.2
116.98611	5.3
121.06495	4.0
122.06038	8.3
123.08044	1.9
125.06001	8.6
126.05527	5.3
126.09138	5.0
127.03927	20.3
129.10242	2.6
132.10197	6.7
136.07588	19.4
140.07074	46.0
141.09167	1.7
143.11807	66.3
145.04950	14.9
147.04402	2.3
150.09128	4.3
152.07065	17.9
154.08675	8.6
157.13370	10.7
163.06010	2.1
164.07072	22.1
171.11295	34.1
177.00671	1.6
178.08630	20.6
182.08142	100.0
183.08492	4.1
185.12862	8.3
201.00648	2.4
206.08124	42.8
212.04443	2.3
218.08054	4.6
219.01738	3.9
231.17143	4.0
236.09241	3.4
237.02673	2.3
248.09148	12.3
249.02824	2.3
257.04477	3.4
284.11533	2.5
285.12094	2.0
301.02283	3.7
302.11664	3.5
303.05130	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.3
51.09866	1.5
53.03942	1.5
55.05506	3.3
56.96554	2.2
57.03436	1.6
58.20751	1.2
61.02921	2.2
65.03953	1.4
65.10673	1.3
67.05170	2.3
67.05506	32.8
69.03435	14.8
69.07072	12.7
70.06580	1.7
71.06916	1.3
71.18060	1.4
71.18399	3.3
72.08153	3.4
73.02907	2.9
79.05482	2.2
81.03417	6.5
81.07043	3.3
84.04507	3.2
84.08121	3.2
85.02908	41.7
86.09707	64.3
91.05482	5.6
91.16917	1.4
93.07028	4.2
94.07397	2.0
95.04967	58.1
95.08614	9.8
96.08936	4.6
97.02287	2.1
97.02894	37.1
99.04449	2.4
100.11249	3.6
103.03920	4.3
105.07044	2.8
107.05087	1.3
107.08572	5.4
109.02863	8.6
109.10165	3.9
111.04398	1.8
112.07607	35.7
113.06019	4.0
119.04971	7.1
119.08566	1.7
120.08952	1.4
121.10128	2.7
122.06020	2.5
122.10450	1.8
123.04448	1.4
124.07603	2.6
127.03931	7.9
129.10210	1.9
132.08897	1.7
133.06476	1.3
133.10132	2.4
134.10423	1.4
135.11679	2.9
136.07584	2.8
136.12085	1.5
139.07562	1.4
140.07071	100.0
141.07352	1.8
145.04918	2.7
147.04425	22.6
147.11650	1.5
148.04730	1.5
154.08612	5.5
160.12103	1.4
168.28140	1.5
178.08577	3.3
182.08131	71.4
183.08383	2.0
189.12364	4.8
199.18044	14.3
206.08173	14.9
206.12553	2.1
218.08084	2.8
227.17525	10.8
236.09196	2.8
248.09166	10.2
256.21426	2.5
283.13171	1.9
284.20923	1.8
301.14291	6.6
302.21970	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34586	1.1
54.31130	0.9
55.01858	1.2
56.62196	0.8
57.03443	2.3
57.75325	0.8
60.07667	1.0
61.02919	2.4
65.03928	1.4
67.05506	28.3
69.03425	13.2
69.07070	9.7
69.83069	2.1
69.83494	3.9
79.05507	1.2
81.03406	4.1
81.07075	1.4
84.08173	1.3
85.02907	32.2
86.09695	3.1
86.49274	0.9
90.42026	0.9
91.05466	1.4
93.07061	1.4
94.07360	0.9
95.04973	45.2
95.08614	5.2
96.08929	2.5
97.02895	29.8
98.21420	1.0
99.04439	1.5
103.03947	3.3
105.07067	0.9
107.08633	1.5
109.02865	5.8
110.06033	1.1
112.07610	29.3
113.05984	3.5
119.08564	1.4
120.08868	1.5
121.10149	1.9
122.06003	2.0
123.04446	1.4
124.07617	2.9
127.03938	6.1
128.58696	0.8
133.68811	1.0
134.10506	1.4
136.07594	1.6
140.07069	100.0
141.07445	2.2
143.10536	0.8
145.04956	3.3
154.08617	6.0
174.13614	1.0
178.08604	1.8
182.08134	52.7
183.08444	2.6
192.91992	0.9
204.18181	1.0
206.08127	12.1
206.12581	1.1
218.08064	2.3
218.12727	0.9
230.08325	0.9
231.23628	0.8
236.09119	2.0
248.09172	6.7
273.89899	0.9
302.12540	1.5
302.22098	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	301.216
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.98328	1.6
52.34087	1.5
54.95655	1.3
55.05515	14.5
56.96553	2.7
57.07064	2.8
65.03935	1.4
67.05506	22.4
69.03425	1.8
69.07072	12.7
69.93287	7.9
70.06590	1.8
72.93800	2.6
79.05487	10.6
81.07066	22.6
83.08620	7.1
88.07616	1.3
91.05492	15.0
93.07041	31.2
95.04945	2.8
95.08607	100.0
96.08923	2.8
97.06545	1.6
97.10148	2.3
97.13670	1.3
98.20706	1.6
98.97582	6.5
102.96886	2.4
105.07031	24.1
107.01051	1.5
107.04945	5.0
107.08598	36.9
109.06502	3.7
109.10154	21.6
111.04436	4.6
116.98663	6.4
117.07003	6.4
119.04934	5.0
119.08582	34.5
120.97906	2.8
121.06522	2.4
121.10146	28.3
123.11715	10.0
125.05989	10.0
125.09615	1.6
128.06252	2.2
129.06998	2.4
131.08572	10.0
133.10135	24.5
133.32381	1.4
134.99658	3.3
135.08076	1.6
135.11693	18.0
137.05983	5.6
137.13249	2.5
138.98921	2.5
142.07774	2.2
143.08534	7.3
144.09332	2.3
145.10132	15.0
147.08018	2.1
147.11720	14.8
149.13251	5.8
151.07524	1.7
155.08664	1.4
156.09337	2.4
157.10143	13.0
159.08122	1.4
159.11697	18.1
161.09647	5.7
161.13268	10.9
162.87932	1.5
163.07555	1.7
163.14784	2.9
165.09122	2.7
168.05392	1.3
169.10114	4.9
171.08060	1.4
171.11685	8.8
173.09627	2.8
173.13257	10.3
175.07758	1.3
175.11183	1.6
175.14819	4.8
179.10663	6.9
183.11597	3.0
185.09680	1.8
185.13275	10.2
187.11238	7.8
187.14792	8.2
191.10706	3.8
193.12363	1.4
195.11716	1.8
197.13202	2.0
199.14836	7.4
201.12659	3.2
201.16396	5.3
203.17976	6.1
205.12296	9.2
207.13863	1.8
212.95699	1.5
213.12727	5.1
213.16335	2.6
215.17776	1.7
216.01227	1.6
217.12248	5.6
219.13797	3.6
227.14278	3.5
231.13890	10.1
233.15332	1.8
239.17912	2.6
241.19545	6.6
245.15359	6.9
253.97000	2.2
254.96495	1.7
255.21123	14.2
259.99976	3.2
260.95627	1.9
265.19638	1.8
277.97290	3.1
278.01141	3.9
278.96796	9.3
283.20587	12.8
295.98395	2.4
296.97992	8.3
301.21634	92.3
301.98218	1.4
302.22037	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05521	9.8
57.07077	1.6
67.05511	11.5
69.07074	7.5
70.00150	3.7
70.00570	2.2
79.05480	6.0
81.07056	14.2
83.04971	1.3
83.08623	6.1
91.05466	8.6
93.07042	16.0
95.04971	7.1
95.08613	58.5
96.08939	2.1
97.06534	2.2
97.10194	2.4
98.20866	1.8
105.07033	17.5
107.08603	21.9
109.10162	18.6
111.04462	3.9
117.07040	2.6
119.08598	31.9
121.10149	18.3
123.11709	6.3
125.06001	3.5
125.09663	1.9
129.06975	2.6
131.08633	6.4
132.02106	1.3
133.10138	22.3
135.11711	10.2
137.05960	2.0
139.07581	1.3
143.08565	4.8
145.10139	16.7
145.87633	1.4
147.11693	13.4
149.13264	4.6
151.07504	1.8
152.64641	1.2
153.09070	1.8
156.09346	2.6
157.10162	10.4
159.11710	19.7
160.12282	1.2
161.09636	2.0
161.13277	16.6
163.07570	1.8
163.14883	1.7
167.83978	1.3
169.10146	2.5
170.10892	3.5
171.08081	1.1
171.11703	11.1
173.13293	17.3
175.14838	5.4
179.10727	2.4
183.11636	1.7
184.12502	1.6
185.13284	13.6
187.11159	2.7
187.14806	6.8
188.15125	1.4
189.12766	1.8
189.16277	2.0
197.13356	1.9
199.11253	1.6
199.14880	12.2
201.12766	1.4
201.16400	10.8
203.17963	2.0
205.12247	2.7
207.13884	1.3
213.12888	1.3
213.16397	6.2
217.12300	2.5
219.13829	5.7
227.14381	1.8
227.17953	2.4
231.13741	7.4
241.19516	3.6
245.15424	7.8
255.21083	27.4
255.23596	2.2
259.16995	2.2
265.19547	3.7
283.20526	11.4
295.93369	1.1
301.21643	100.0
302.21954	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03949	2.1
55.05521	16.6
57.03421	1.6
57.07069	3.0
61.66966	1.4
65.03938	2.2
67.05502	23.2
69.03413	2.1
69.07078	13.5
69.77310	10.7
70.06629	1.8
76.71935	1.5
79.05500	18.8
80.21494	1.5
81.07067	27.6
83.04985	4.5
83.08615	7.6
85.02906	2.5
91.05482	20.2
93.07044	37.9
95.04959	6.6
95.08612	81.8
97.02905	3.3
97.06531	3.6
97.10180	4.6
99.04432	1.9
105.07036	32.4
107.04949	7.3
107.08603	35.6
109.06548	3.0
109.10162	25.0
111.04446	12.3
111.08057	2.4
117.07014	7.1
119.08592	63.6
121.06493	4.4
121.10153	33.9
123.04461	1.8
123.08051	5.5
123.11723	12.5
125.06010	6.2
128.06279	2.7
129.07018	2.7
131.08556	13.7
133.06499	2.7
133.09236	2.6
133.10144	32.8
135.11690	24.3
137.05969	4.9
137.13268	1.9
139.07535	2.3
143.08606	15.1
145.10123	16.5
146.10414	2.5
147.07985	2.9
147.11696	19.9
149.13303	10.1
151.07503	2.8
153.09119	2.5
155.08585	4.0
156.09351	4.0
157.10144	13.8
159.11739	19.9
161.09627	4.0
161.13283	21.2
163.11230	2.8
163.14839	4.5
165.07066	2.4
165.09155	1.7
169.10139	6.8
171.07996	1.9
171.11703	13.6
173.09592	3.0
173.13280	15.4
175.11179	2.7
175.14836	3.9
177.09099	2.3
179.10730	7.2
181.06508	3.1
181.10144	2.0
181.12273	4.1
183.11690	2.3
185.09616	2.3
185.13286	10.8
187.11209	6.8
187.14851	7.8
191.10698	2.9
193.12222	1.9
197.13245	3.0
199.11189	5.4
199.14842	5.1
201.12755	3.5
201.16441	3.6
202.38087	1.6
203.10666	4.6
203.17923	4.6
205.12296	7.9
213.12782	6.6
213.16385	4.0
217.12277	6.8
219.13812	8.0
222.91862	1.7
227.14357	4.2
231.13838	11.0
233.15269	1.9
239.17996	4.5
241.15871	2.9
241.19533	6.4
245.04500	3.5
245.15434	11.0
255.21069	8.2
257.22684	1.9
259.17001	3.4
265.19617	3.0
273.03799	1.9
283.20648	12.3
301.03381	3.6
301.10715	4.2
301.21631	100.0
302.22031	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.32309	1.5
55.01860	2.5
55.05509	14.3
57.07064	4.5
66.96583	1.5
67.05505	22.8
69.03417	3.0
69.07069	14.7
69.44102	4.8
69.44517	7.3
71.04984	1.4
76.77081	1.5
79.05495	12.1
81.03406	1.8
81.07063	24.7
83.04978	3.0
83.08609	9.7
85.06504	1.4
88.65680	1.4
91.05482	16.7
93.07043	22.4
95.04990	8.9
95.08609	71.7
97.02888	2.5
97.06536	4.1
97.10167	4.2
98.21488	1.7
105.07032	23.9
107.04931	4.6
107.07870	1.8
107.08597	29.3
109.06501	3.1
109.10156	22.9
111.04432	4.3
111.08083	1.9
113.06044	1.9
115.05424	1.9
117.07013	6.5
119.08585	48.6
121.06548	1.8
121.10153	26.7
123.08090	3.4
123.11720	11.8
125.05984	3.5
129.06975	2.7
131.08575	13.7
133.06508	2.8
133.10135	34.3
135.08076	4.3
135.11693	12.6
137.05939	3.4
137.09570	2.8
139.11145	1.8
142.07806	2.1
143.08609	8.8
144.09319	2.0
145.10124	25.7
147.08038	1.9
147.11702	19.0
149.09560	2.5
149.13322	3.4
151.07471	2.3
151.11172	2.0
153.06946	2.0
155.08577	2.9
156.09389	2.8
157.10141	13.5
158.10915	2.7
159.11702	25.9
161.09666	3.1
161.13277	14.2
163.11153	2.4
163.14803	2.7
169.10123	3.1
170.10957	2.7
171.11731	14.7
173.13264	23.7
174.13857	1.8
175.11153	2.5
175.14857	3.3
179.10645	4.4
181.06464	2.7
181.10161	1.6
181.12076	1.9
183.11688	3.6
185.09518	2.9
185.13290	14.8
186.13968	1.7
187.11218	3.6
187.14854	15.2
188.15569	2.5
189.12750	3.4
189.16415	4.6
191.10660	2.9
197.06029	2.6
197.13222	2.1
198.06764	1.6
199.11150	2.4
199.14836	14.5
201.12651	1.9
201.16383	18.4
203.17981	3.0
205.12282	3.5
213.12872	2.5
213.16394	8.3
217.12222	2.9
219.13780	4.4
223.14885	1.9
226.06242	2.0
227.14163	2.1
231.13765	7.7
233.15372	1.9
239.18019	2.9
241.05092	1.6
241.08583	2.8
241.15919	2.5
241.19508	7.7
245.15346	5.7
255.21107	23.8
259.16852	3.2
265.19641	2.2
273.03983	1.8
283.20609	14.2
301.03668	7.3
301.07114	3.4
301.10803	13.8
301.18356	3.3
301.21609	100.0
302.11227	2.8
302.22018	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.80597	2.9
55.05503	14.7
57.07101	3.1
59.06126	4.1
65.31853	3.5
66.35558	3.6
67.05508	22.1
69.07054	11.1
70.32953	8.2
70.33344	6.4
79.05515	17.2
80.26270	3.4
81.07050	20.4
83.08626	5.0
84.17120	2.9
91.05467	14.8
93.07049	29.6
95.08609	100.0
95.26437	3.0
97.10144	4.9
105.07040	26.5
107.08612	33.3
108.79984	3.1
109.07624	3.6
109.10172	22.7
110.07166	5.4
111.04417	5.1
117.06981	6.3
119.04945	3.1
119.08582	28.2
121.06496	3.1
121.10145	21.0
123.08041	3.5
123.11666	7.4
124.08733	3.4
125.06014	8.2
129.07062	4.3
131.08589	13.1
133.10110	18.4
135.11690	11.3
136.08669	3.7
137.05910	5.0
142.07872	3.1
143.08545	6.7
145.10121	12.0
147.11681	12.2
149.13245	9.2
156.09343	3.3
157.10158	11.0
159.11688	18.0
161.13264	11.7
165.09174	4.3
165.81990	3.5
169.10103	3.8
171.11691	17.1
173.09595	3.7
173.13268	8.1
175.14857	4.7
177.09119	4.0
179.10666	9.8
185.13277	7.1
187.11226	6.3
196.53702	3.7
199.14856	8.1
201.16360	9.0
203.10773	3.5
203.17949	6.6
205.12233	8.7
207.13704	5.1
213.12834	5.0
217.12354	3.9
219.13817	6.2
227.14297	5.4
231.13864	7.5
237.27159	4.0
241.19499	6.0
245.15417	7.4
255.21030	9.2
259.16727	3.9
283.20731	16.5
283.23187	3.2
290.81000	3.6
301.18347	5.1
301.21646	82.3
302.21591	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.216
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05513	12.2
57.07066	2.9
67.05502	15.2
69.03416	2.0
69.07068	9.5
70.83660	2.7
70.84032	2.1
71.08610	1.2
79.05495	6.2
81.07054	15.3
83.04990	1.2
83.08615	7.9
87.57954	1.1
91.05476	8.3
93.07045	14.2
94.07370	1.2
95.04961	2.6
95.08605	59.6
96.08907	1.8
97.06538	2.6
97.10163	3.7
105.07027	22.0
107.04920	1.1
107.08591	20.0
108.08909	1.0
109.06534	1.6
109.09433	2.0
109.10147	18.3
111.04436	1.4
111.08072	2.5
117.07014	3.3
118.44451	1.0
119.04948	0.9
119.08574	43.2
120.08904	2.6
120.54900	1.0
121.06546	1.4
121.10143	15.2
123.08062	1.9
123.11694	5.2
125.05965	2.6
129.06955	1.9
129.21576	1.1
131.08582	10.8
133.06563	1.6
133.10135	30.8
135.11690	10.7
139.07518	1.3
142.07718	1.6
143.08554	7.7
144.09288	2.7
145.10117	19.1
147.11674	17.4
149.09627	1.5
149.13251	3.4
153.09132	1.9
156.09305	2.5
157.10129	12.3
157.60910	1.1
158.10915	2.7
159.11700	26.6
160.12381	2.2
161.09648	2.1
161.13249	11.5
163.07605	1.3
163.11205	1.5
163.14804	2.7
169.10219	1.3
170.10872	3.5
171.11707	14.5
172.12381	1.2
173.13268	26.0
174.13844	1.4
175.11301	1.3
175.14816	1.9
179.10738	1.5
183.11745	1.4
185.13234	12.9
187.11134	1.9
187.14790	18.1
188.15634	3.3
189.12691	1.7
189.16389	5.0
189.68587	1.2
191.10696	1.7
193.12273	1.6
199.14832	12.3
201.12811	1.2
201.16368	20.8
203.10713	1.7
205.12169	1.9
207.13843	3.0
211.14883	1.6
213.12790	1.4
213.16376	6.5
217.12143	2.1
219.13847	2.4
227.14339	2.5
227.18053	2.3
231.13795	5.1
241.15929	1.7
241.19493	7.7
245.15387	4.7
255.21059	30.4
255.23598	2.1
256.21317	1.4
259.17044	1.4
265.19510	1.4
273.22226	1.6
283.20566	11.3
301.10712	2.6
301.21609	100.0
302.21854	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	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05505	16.3
57.07074	2.4
59.74889	1.4
65.02097	1.4
67.05501	18.0
69.07068	15.1
70.13612	9.2
71.20968	1.4
79.05498	11.8
81.07059	22.1
82.37865	1.6
83.08617	9.7
91.05484	16.4
91.90131	1.6
93.07049	28.8
95.04957	3.7
95.08607	100.0
96.08926	2.0
97.10159	3.9
105.07037	23.6
107.04961	3.6
107.08598	37.5
109.06485	3.5
109.10162	22.5
111.04422	4.6
117.07008	3.0
119.07791	3.2
119.08580	36.4
121.10152	30.2
123.08092	1.8
123.11720	9.8
125.05962	6.4
129.07005	2.9
131.08540	6.9
133.10133	25.7
135.11679	18.8
137.05991	3.3
137.13261	2.5
142.07820	1.7
143.08560	8.9
144.09344	1.9
145.10141	15.6
147.08034	2.2
147.11705	16.4
149.13234	9.0
155.08578	2.0
156.09338	4.3
157.10135	11.2
159.11705	19.2
159.34128	1.7
161.09589	4.2
161.13237	10.0
163.07463	2.2
163.11163	1.8
163.14844	4.2
165.09181	2.9
169.10188	4.0
171.08055	1.9
171.11674	14.4
173.09662	3.0
173.13257	10.8
175.14801	3.8
177.09102	2.3
179.10692	5.8
183.11664	2.5
185.09608	1.9
185.13246	11.3
187.11165	8.5
187.14810	5.6
189.09081	1.7
189.16302	2.6
191.10678	3.9
195.11678	2.1
197.13315	2.0
199.11203	4.8
199.14870	8.0
201.12820	3.1
201.16409	6.1
203.10594	2.0
203.17975	9.4
205.12196	9.1
207.13823	2.0
213.12700	2.8
213.16301	2.2
217.12233	6.2
219.13840	5.0
227.14381	5.2
231.13792	13.9
233.15352	2.6
239.17906	3.9
241.19452	7.9
245.15456	7.4
255.21143	8.5
258.05249	21.5
259.16977	4.5
265.19354	3.2
283.20544	15.6
286.04706	31.5
301.07114	55.9
301.10559	5.2
301.21616	89.8
302.07483	2.8
302.21936	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	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03944	1.7
55.01874	1.1
55.05513	20.9
57.03446	0.8
57.07073	4.1
59.60921	0.5
61.73770	0.5
65.03947	1.0
67.05508	22.6
69.03445	0.7
69.07071	16.7
70.57784	2.1
71.04992	0.9
71.08633	0.7
77.03883	0.6
79.05495	13.8
81.07064	21.9
83.04991	1.7
83.08624	11.1
91.05483	18.2
93.07052	37.8
95.04990	4.5
95.08611	85.8
96.31522	0.5
97.02897	0.7
97.06594	1.2
97.10178	8.2
98.20766	0.6
105.07036	31.6
107.04972	2.3
107.08599	43.1
109.06522	3.0
109.10161	23.2
111.04444	7.9
111.08018	0.7
111.11710	1.5
115.05453	1.2
117.07029	6.6
119.04924	0.5
119.08585	37.4
120.09341	0.6
121.06528	1.7
121.10147	33.0
123.08082	2.4
123.11726	9.5
125.05981	4.8
128.06248	2.4
129.07008	5.2
130.07793	1.5
131.05020	0.7
131.08578	13.8
132.09453	0.5
133.06500	1.7
133.10136	25.7
134.10921	1.2
135.04492	0.9
135.08055	1.8
135.11707	24.1
137.06018	2.5
137.09676	0.9
137.13264	2.0
139.07538	2.1
141.07011	1.3
142.07764	2.5
143.08568	12.1
144.09344	2.0
145.06419	1.0
145.10124	22.0
146.10910	0.8
147.08066	3.2
147.11697	17.9
149.06017	1.3
149.09648	0.9
149.13258	9.8
151.07538	3.1
151.14868	0.6
153.09081	1.0
155.08568	2.2
156.09361	4.1
157.06517	0.9
157.10144	17.0
158.10948	1.9
159.08063	1.7
159.11693	20.7
161.09619	3.8
161.13263	12.6
163.07518	1.9
163.11232	0.8
163.14822	4.5
165.09117	5.1
169.10130	5.6
170.10944	2.3
171.08073	2.5
171.11694	14.7
172.08827	0.7
172.12474	0.8
173.09671	3.9
173.13274	11.8
174.14029	0.6
175.07610	0.9
175.11180	1.5
175.14821	5.0
177.09114	2.1
177.12773	0.8
177.16397	1.4
179.10684	4.8
181.10185	1.2
181.12279	0.8
183.11687	3.1
184.12473	1.1
185.09708	3.0
185.13268	12.4
187.11200	10.1
187.14822	9.3
188.15512	0.6
189.09169	2.4
189.12840	1.3
189.16397	1.6
191.10663	4.8
191.17912	1.6
193.12271	2.3
195.11751	1.6
197.13252	2.2
199.11200	5.3
199.14828	9.9
201.12735	4.2
201.16386	8.5
203.10715	5.1
203.14339	0.7
203.17990	6.9
205.12250	12.9
207.13826	2.5
209.13266	1.2
211.14775	1.0
213.12758	6.1
213.16362	3.2
215.14296	1.3
215.17924	1.2
217.12244	8.3
217.15808	0.8
219.13802	6.3
223.14803	1.2
227.14290	5.3
227.17987	0.9
231.13826	18.0
233.15427	3.2
239.17964	4.6
241.15846	2.4
241.19519	7.7
245.15378	12.4
255.18317	0.7
255.21095	13.5
257.22690	2.2
259.16843	2.8
265.19504	1.8
273.22089	0.9
283.17419	0.7
283.20587	18.1
301.21631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
52.69737	1.0
53.43774	1.0
55.05509	8.1
55.61531	1.1
57.07077	2.7
65.03925	2.0
67.05233	1.2
67.05508	14.7
69.07077	8.7
70.63264	1.5
70.63597	2.5
79.05494	6.5
81.07056	16.1
83.04953	1.3
83.08627	6.1
85.06508	1.1
91.05471	6.9
93.07039	16.0
95.04980	8.1
95.08605	29.8
97.06521	3.1
98.20663	1.1
105.07041	11.9
107.08587	22.2
109.06485	2.3
109.10159	19.7
110.81184	1.0
111.04445	9.3
111.08084	3.0
117.07007	3.0
119.08579	29.7
121.06458	1.5
121.10136	21.2
121.13753	1.3
123.08060	2.2
123.11717	7.1
123.12464	1.0
129.07005	2.2
131.08577	7.5
131.97960	1.1
133.06412	1.2
133.10133	17.8
135.08047	3.4
135.11699	14.2
136.12059	1.1
137.09560	1.7
137.13239	1.4
142.07811	1.4
143.08557	5.1
145.10115	15.7
147.08054	1.2
147.11681	11.6
149.09579	1.5
149.13277	6.3
151.07475	1.2
151.11145	1.5
153.09138	1.9
157.10149	9.4
159.11707	15.6
161.09631	3.4
161.13271	8.5
163.11172	2.3
163.14809	2.7
169.10097	4.9
170.10912	2.9
171.11713	10.9
171.82802	1.1
173.09705	5.8
173.13260	10.1
175.11246	2.7
175.14847	3.3
177.12775	2.2
177.16460	1.4
179.10713	2.6
183.11716	2.5
185.09630	1.9
185.13257	10.1
187.11186	4.6
187.14807	9.9
189.12753	3.7
189.16374	3.7
191.17906	2.0
193.12244	1.4
194.10901	1.6
197.13309	1.8
199.11172	3.0
199.14844	8.1
201.12685	1.6
201.16341	6.7
203.10658	2.2
203.14392	2.2
203.18042	1.5
205.12263	3.9
205.15892	1.1
207.13828	1.1
209.13094	1.3
211.14830	1.4
213.12682	3.4
215.17932	1.3
217.12163	3.3
219.13795	3.0
222.65215	1.3
223.14694	2.0
227.14258	3.6
227.18024	1.8
231.13853	6.2
239.17960	3.7
241.19586	12.7
243.17535	2.3
245.15271	4.2
255.21065	14.5
257.19009	2.0
259.16873	1.4
259.20572	3.1
265.19516	2.8
271.77176	1.1
273.22092	3.3
283.20544	21.0
301.21622	100.0
302.21973	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	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05503	11.4
55.46272	2.0
57.07061	4.2
60.42155	2.0
65.03943	2.0
67.05514	18.9
68.59803	1.9
69.07064	10.1
71.19951	4.0
79.05509	11.7
81.07074	17.9
83.04968	3.1
83.08613	8.5
89.81084	2.0
91.05476	16.4
93.07046	27.8
95.04963	2.9
95.08607	45.8
97.10172	5.3
105.07036	17.7
107.08598	31.7
108.60252	2.2
109.10166	24.4
111.04446	29.1
117.06995	5.3
119.08585	54.5
121.06499	2.0
121.10155	30.9
123.08136	2.9
123.11694	10.8
125.05991	3.2
129.06992	2.3
131.08583	10.2
133.10150	17.7
135.11699	22.1
142.07678	2.8
143.08604	11.1
145.10114	16.1
147.11678	13.9
149.13266	7.2
153.09132	2.1
157.10115	11.4
159.11679	20.1
161.09550	2.5
161.13205	12.1
163.14806	3.3
169.10129	8.2
171.10446	2.4
171.11678	12.8
173.13240	8.9
175.14847	3.5
177.09195	2.6
177.12892	2.2
179.10623	2.8
183.11714	2.9
185.09633	2.8
185.13266	10.9
187.11186	3.6
187.14815	6.6
191.10704	4.9
191.17981	6.8
195.11615	2.5
197.13269	4.3
199.11172	3.3
199.14864	10.2
201.16331	5.9
203.10712	6.1
203.17816	3.0
205.12267	4.0
213.12767	2.5
217.12299	5.1
219.13803	6.0
223.14893	2.6
227.14290	4.7
231.13763	11.8
235.56131	2.2
239.17990	2.5
241.19597	10.6
245.15433	10.3
255.21111	12.0
259.16971	3.8
260.05115	2.0
265.19662	4.1
283.20468	13.5
301.21625	100.0
302.22000	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	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03946	1.7
55.03252	1.4
55.05305	1.2
55.05516	12.6
57.07076	1.7
59.06963	1.3
62.44953	1.1
67.05508	21.2
69.07082	12.1
71.36691	3.1
71.37063	2.8
72.81897	1.4
79.05483	11.0
80.02390	1.2
81.07066	17.7
83.08606	5.0
87.83267	1.3
88.49623	1.3
91.05486	13.3
93.07047	26.1
95.04970	2.8
95.08610	100.0
97.10156	2.8
105.07027	23.3
106.07808	1.8
107.04951	4.5
107.08600	35.0
109.06512	3.0
109.10168	15.5
111.04440	4.9
117.07025	3.3
119.08589	25.4
121.06525	2.1
121.09311	1.9
121.10148	23.3
123.08118	2.2
123.11710	11.5
125.05995	8.3
129.07039	3.5
131.08534	7.0
133.10133	19.5
135.11690	15.4
137.05971	4.6
141.07014	1.5
142.07822	2.6
143.08536	7.0
145.10164	9.1
147.08047	1.6
147.11671	10.1
149.13246	5.3
156.09343	2.0
157.10146	8.2
159.11700	14.0
159.88963	1.5
161.09651	6.7
161.13257	8.7
163.14832	2.9
165.09097	2.2
169.10159	4.2
171.11679	8.0
173.09662	3.1
173.13268	4.9
175.14856	4.0
179.10663	8.6
181.10014	1.6
183.11726	2.2
185.09753	1.6
185.13254	5.9
187.11226	7.2
187.14850	4.1
191.10669	1.6
193.12283	1.6
195.01398	1.5
199.11200	2.9
199.14824	4.3
201.12726	3.7
201.16391	4.7
203.10669	1.4
203.17932	7.4
205.12283	4.5
207.13847	2.1
213.12766	5.8
213.16525	1.5
217.12296	3.7
219.13866	3.1
227.14389	2.8
231.13870	8.9
231.91747	1.4
239.17976	1.7
241.19540	5.1
245.15405	7.6
255.21138	6.8
283.20557	11.2
301.21613	64.7
302.21979	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.216
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.46616	1.2
55.05512	8.5
57.07066	2.4
57.13634	1.2
67.05504	15.2
69.07062	10.7
70.17850	6.2
79.05478	7.1
81.07055	13.7
83.08614	6.7
84.71708	1.2
90.23514	1.3
91.05482	10.3
93.07039	15.4
95.04971	2.6
95.08604	65.6
96.08932	2.5
97.06502	1.6
97.10150	3.5
105.07030	27.2
107.08591	21.9
109.06493	1.9
109.10149	17.2
117.06999	5.0
119.08575	72.6
121.10132	18.4
123.08084	1.8
123.11683	2.8
125.05965	2.5
131.08566	8.4
133.10124	42.8
135.11679	7.6
139.07510	1.8
142.07755	1.4
143.08556	5.4
144.09344	2.4
145.10117	20.6
147.11684	19.5
149.13251	4.5
153.09097	1.2
156.09325	3.3
157.10104	11.8
158.10846	3.5
159.11685	30.1
160.12303	1.5
161.09610	2.1
161.13254	20.1
163.07492	1.8
163.14841	2.6
170.10925	2.2
171.11673	13.9
172.12433	1.4
173.13264	20.7
175.11096	1.5
175.14818	3.3
179.10634	2.5
185.13245	14.1
186.13979	1.3
187.11287	1.6
187.14828	18.4
188.15546	3.9
189.12761	1.3
189.16341	7.5
190.16560	1.4
193.12291	2.6
199.14833	11.3
200.64516	1.3
201.16370	22.9
202.16837	2.0
203.10429	1.6
204.94751	1.2
207.13853	2.1
213.12747	2.2
213.16367	5.4
217.12331	1.6
219.13829	2.4
225.46423	1.3
227.14177	2.2
227.17802	1.7
231.13812	3.6
239.17905	1.7
241.19502	10.4
245.15308	2.4
255.21101	31.4
256.21494	2.3
259.16797	1.9
265.19464	2.7
273.22101	1.4
283.20676	9.1
301.21603	100.0
302.21948	5.1
302.34488	1.3
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	SCHEMBL18714031
Peak:m/z	Relative Intensity
52.07526	1.4
53.50442	1.5
55.05492	6.3
57.07074	1.9
67.05501	12.7
69.07056	5.4
71.47064	2.7
79.05485	5.6
81.07055	9.7
83.08611	5.5
91.05469	6.1
93.07045	12.2
95.08607	55.9
97.10144	3.1
99.02435	1.5
105.06377	2.5
105.07028	23.5
107.08597	20.9
109.10159	15.7
111.08054	1.7
114.25044	1.5
116.75130	1.7
117.07018	4.3
117.52797	1.5
119.08581	63.9
121.10145	14.9
123.11716	3.9
129.07021	2.0
131.08551	7.9
133.10127	39.4
135.11700	8.2
143.08534	5.0
144.09363	2.9
145.10118	21.6
147.11681	15.9
149.13272	3.9
156.09329	2.9
157.10132	9.0
159.11690	30.1
160.12373	3.8
161.09694	1.7
161.13264	20.6
163.14838	1.8
169.09981	1.7
170.10909	2.0
171.11684	11.6
172.12456	2.0
173.13232	18.0
175.11276	1.5
175.14816	1.9
183.11655	2.5
185.13249	11.2
187.14833	17.8
188.15550	4.5
189.16443	9.4
193.12286	2.3
199.14799	12.8
201.16389	25.9
202.17166	2.1
211.14882	2.2
213.12529	2.1
213.16357	7.0
227.14302	2.1
231.13802	6.2
241.19519	12.1
245.15367	3.8
255.21086	28.6
255.35701	1.6
259.16919	2.8
265.19473	2.4
283.20532	9.5
297.94257	1.7
301.21606	100.0
302.21762	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	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05512	11.8
57.07059	3.3
60.04522	2.5
67.05497	13.3
69.03406	1.9
69.07057	10.6
71.04676	3.7
79.05484	5.4
81.07048	11.9
83.08623	7.6
89.52341	1.2
90.97530	1.2
91.05487	7.9
93.07036	15.9
95.04971	2.2
95.08601	58.6
97.06513	2.6
97.10168	4.1
105.07021	24.4
107.08587	23.7
109.06517	1.6
109.10153	19.9
111.04414	1.5
111.11784	1.2
117.07005	4.7
119.08573	39.8
120.08915	1.5
121.10152	15.3
123.11676	7.6
125.05978	2.1
129.06918	1.8
131.08549	9.4
133.06453	1.6
133.10129	31.6
135.11690	8.3
139.07516	1.3
143.08501	6.6
145.10094	19.7
147.08084	1.2
147.11668	20.6
149.13243	2.0
151.07558	1.9
155.08411	1.5
157.10130	13.6
158.10931	2.3
159.11688	28.9
159.13011	1.7
160.12318	1.9
161.09605	2.8
161.13217	10.2
163.07536	1.5
163.14835	2.2
167.16638	1.2
170.10901	1.8
171.11671	16.2
173.13260	29.3
175.11272	1.6
175.14793	4.4
177.09090	1.7
179.10677	2.2
183.11597	1.8
185.13228	16.9
186.13892	1.5
187.11287	2.3
187.14812	15.4
188.15552	3.7
189.16402	4.7
191.10641	2.2
197.13184	2.6
199.14839	12.1
201.16347	21.1
202.17053	2.7
205.12207	2.5
207.13857	3.3
209.13158	1.4
213.12775	1.5
213.16374	8.6
217.12267	2.6
219.13815	3.9
227.14261	1.5
227.17935	2.2
231.13815	5.5
232.14284	1.5
239.17970	3.5
241.19444	7.6
245.15352	5.4
255.21060	29.9
256.21234	2.0
265.19403	2.4
283.20514	10.5
301.21594	100.0
302.21906	4.9
302.30374	3.6
302.33362	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.216
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.94547	1.4
53.03938	1.6
55.05507	9.8
57.07052	1.6
57.07312	1.3
67.05212	1.4
67.05505	14.6
69.07064	9.2
70.62006	3.1
70.62414	2.6
79.05491	8.2
81.07061	14.6
83.08607	5.2
91.05463	10.5
93.07043	18.7
95.04980	1.9
95.08608	73.2
96.08907	2.7
97.10168	3.9
99.54556	1.5
105.07034	23.9
106.74512	1.2
107.08595	23.3
108.59360	1.6
109.10157	16.4
111.04429	4.2
111.59724	1.2
115.41397	1.2
117.07013	4.7
119.08577	44.8
119.11630	1.2
120.08902	4.2
121.06538	1.4
121.10142	20.9
123.08112	2.1
123.11716	5.7
125.05972	4.2
131.08575	10.1
133.10133	29.7
133.14572	1.4
134.10487	2.8
135.11685	11.7
143.08577	5.8
144.09328	2.8
145.10133	19.9
147.11690	16.8
149.13245	5.5
151.07460	1.5
156.09340	2.7
157.10123	13.4
158.10881	2.5
159.08244	1.6
159.11693	19.5
160.12328	2.0
161.09578	2.8
161.13278	14.4
163.07494	2.2
163.14801	2.0
165.09042	1.8
169.10040	1.9
170.10881	2.1
171.11659	11.9
173.13258	20.7
175.14836	1.7
179.10664	4.0
183.11708	2.0
185.13301	10.6
187.11153	3.3
187.14813	12.5
188.15573	1.8
189.12650	2.1
189.16365	4.2
191.10681	1.9
197.13295	1.8
199.11079	1.6
199.14810	10.5
201.12816	1.8
201.16425	17.4
203.10616	2.4
203.17955	5.1
205.12222	5.6
207.13837	2.8
209.13155	1.5
213.12721	2.6
213.16367	5.8
215.52055	1.4
217.12166	4.5
219.13866	3.8
227.14255	1.4
227.23431	1.4
231.13853	6.3
241.19505	8.7
245.15370	5.4
255.21135	21.5
259.16956	2.4
265.19476	3.1
273.22110	1.6
283.20560	9.6
301.21609	100.0
302.21906	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03947	0.9
55.01857	0.6
55.05508	12.1
57.03437	0.5
57.07076	2.0
59.45394	0.3
65.03945	1.2
67.05502	18.1
69.03432	0.4
69.07068	9.5
69.58150	1.8
70.05225	0.3
71.05005	0.4
71.08631	0.4
77.03905	0.6
79.05486	9.6
81.03429	0.3
81.07054	15.9
83.04977	1.4
83.08620	5.1
91.05473	12.2
93.07040	23.1
95.04964	2.2
95.08603	100.0
97.02875	0.6
97.06519	1.0
97.10172	3.0
99.04456	1.0
103.05420	0.4
104.88822	0.3
105.04469	0.4
105.07030	18.4
106.07840	0.4
107.04965	3.2
107.08591	29.6
109.06533	2.0
109.10156	18.5
109.10919	0.8
111.04436	5.4
111.11692	0.5
115.05441	0.6
117.07019	3.3
119.04956	0.8
119.08578	19.5
121.06502	1.1
121.10142	22.6
123.04453	0.6
123.08076	1.5
123.11713	11.4
125.05216	0.3
125.05991	10.1
128.06250	0.9
129.07021	2.7
131.08571	5.6
133.06526	1.3
133.10127	19.6
134.04289	0.3
134.10851	0.5
135.08040	1.2
135.11688	15.0
137.05968	5.3
137.09627	0.6
137.13231	1.8
139.07547	1.2
141.07021	0.7
142.07799	1.1
143.08563	5.5
144.09369	1.0
145.06436	0.4
145.10124	9.5
147.08029	1.0
147.11685	10.6
149.09610	0.5
149.12045	0.4
149.13254	8.0
151.07605	1.8
151.11215	1.3
153.09100	0.9
155.08591	0.9
156.09319	1.2
157.10127	6.6
157.11302	0.6
158.10841	0.5
159.08054	0.5
159.11691	11.6
161.09631	5.1
161.13245	9.1
162.14052	0.6
163.07549	0.9
163.11188	0.6
163.14803	3.3
165.09108	1.6
167.10663	0.5
169.10158	3.2
170.10902	0.8
171.08031	0.9
171.11699	6.0
173.09668	1.7
173.13264	6.0
175.07486	0.5
175.11195	1.2
175.14804	2.5
177.09106	1.2
177.12744	0.6
177.16386	0.7
179.10669	8.5
181.09973	0.6
183.11693	1.3
185.09590	1.2
185.13255	6.2
187.11203	5.7
187.12906	0.5
187.13219	0.4
187.14799	3.8
188.15607	0.4
189.09122	1.3
189.12721	1.0
189.16362	1.0
191.10716	1.7
191.17937	1.1
192.76738	0.4
193.12262	1.2
195.11729	0.7
197.13254	1.6
199.11224	1.7
199.14833	5.4
201.12732	2.1
201.16359	4.0
203.10649	1.5
203.14233	0.4
203.17931	7.1
205.12224	6.8
207.13802	1.9
209.13248	0.5
211.14825	0.4
213.12755	3.4
213.16296	1.7
215.14352	0.5
215.17868	0.4
217.12242	3.8
219.13812	3.1
223.14804	0.8
227.14267	2.6
227.17850	0.7
231.13782	9.2
233.15349	1.0
239.17912	2.1
241.15883	1.3
241.19518	4.2
245.15375	5.5
255.21046	6.5
257.22601	0.7
259.16910	1.5
265.19724	1.7
273.22244	0.4
283.20557	8.7
283.23505	0.6
301.21603	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05508	16.4
67.05503	20.3
69.07050	8.1
69.35706	11.9
69.36130	7.5
79.05494	10.6
81.07056	16.4
83.08595	5.4
83.42050	1.8
91.05466	12.5
93.07046	23.4
95.08611	100.0
97.06509	2.4
97.10177	5.2
105.07043	19.0
107.04935	4.2
107.08598	29.1
109.06525	2.4
109.10165	21.3
111.04437	5.8
117.07010	4.8
119.08592	21.4
121.10146	20.6
123.11713	8.4
125.06001	10.6
129.07002	2.0
131.08568	7.3
133.10141	19.2
135.11699	15.9
137.05998	4.4
142.07817	3.0
143.08534	6.6
145.10110	10.7
147.08066	1.8
147.11705	12.3
147.12743	2.1
149.13260	8.7
156.09254	2.1
157.10106	10.2
159.11691	13.3
161.09590	6.5
161.13274	6.7
163.07593	2.7
163.14755	2.1
165.09169	2.5
169.10170	4.6
171.11729	10.8
173.09708	2.5
173.13242	6.9
175.14830	5.1
177.09039	2.9
179.10687	9.0
185.09569	1.9
185.13271	6.9
187.11166	8.2
187.14833	5.5
191.10680	3.7
198.76190	1.7
199.14854	8.3
201.16380	4.5
203.10770	2.8
203.17944	5.2
205.12277	8.7
209.13454	2.0
213.12730	5.1
215.18082	2.3
217.12274	7.1
219.13849	4.8
227.14278	2.8
231.13811	12.0
233.15335	2.7
239.17923	4.3
241.19501	5.0
245.15363	6.2
255.21054	8.7
283.20670	13.8
287.19577	2.0
301.21634	85.1
302.21890	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	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
54.93848	1.8
55.05511	6.8
57.07059	4.6
62.01148	2.0
64.28963	2.1
65.03928	2.3
67.05509	16.5
69.07063	14.9
69.90868	8.8
69.91273	2.9
79.05479	5.1
81.07057	12.1
81.70978	2.1
83.08604	3.6
90.12647	1.9
91.05478	5.4
93.07033	7.9
95.04964	12.6
95.08614	25.0
97.06514	3.4
98.21437	3.8
105.07056	9.7
107.08596	14.9
109.06490	2.6
109.10171	11.4
110.31240	1.9
111.08092	4.3
117.07076	2.5
119.08575	27.1
121.06480	3.1
121.10153	13.7
123.11710	10.3
128.06226	2.2
129.07072	2.3
131.08534	7.0
133.06476	2.9
133.09264	2.4
133.10117	14.7
135.08041	5.9
135.11693	6.9
137.09531	2.2
143.08569	2.8
145.10104	10.0
147.08029	2.6
147.11685	12.6
149.09660	3.1
149.13226	3.7
150.67554	2.6
157.10141	9.0
159.11720	17.2
161.09605	2.8
161.13257	11.0
163.11185	5.3
171.11699	9.9
173.13271	15.5
175.11171	7.4
177.09186	2.6
177.12790	6.3
183.11639	3.2
185.13260	12.3
187.14790	8.0
189.12733	3.3
189.16391	3.6
191.10664	8.8
199.14819	8.2
201.12840	2.5
201.16403	11.2
203.14406	3.8
205.12286	2.4
205.15930	2.6
213.12560	2.9
213.16302	3.3
215.14430	3.1
227.14264	3.7
227.17885	2.2
231.13753	3.4
241.15967	2.9
241.19499	7.5
245.15298	5.3
255.20988	13.0
259.17017	3.0
265.19556	5.7
273.18173	2.2
273.22113	4.3
283.20609	16.7
301.21603	100.0
302.21954	6.1
313.45023	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03930	1.9
55.05509	11.8
57.07076	1.6
65.03944	1.0
67.05505	17.2
68.10394	1.1
69.07069	9.5
70.89129	1.8
70.89462	2.3
79.05494	9.4
81.07063	17.6
83.04994	1.1
83.08612	5.5
91.05473	11.8
93.07044	26.8
95.04976	2.7
95.08604	100.0
97.10146	3.3
105.07030	19.6
107.04959	3.9
107.07871	2.3
107.08590	29.4
109.06557	1.9
109.10161	16.4
111.04440	4.4
117.06989	2.3
119.08578	25.2
121.10142	24.5
123.08105	2.1
123.11699	10.2
125.06004	9.1
129.06990	2.6
131.08511	5.5
133.06436	1.3
133.10126	19.3
135.11664	12.4
137.05956	4.2
143.08565	6.4
145.10127	11.0
147.11700	11.9
149.13281	6.2
151.07535	2.7
155.08562	1.5
157.10123	6.6
159.11684	11.7
160.12001	1.5
161.09636	5.1
161.13266	8.5
163.07587	1.6
163.14850	3.5
165.09135	2.1
169.10075	1.7
171.11696	7.3
173.09697	1.1
173.13248	7.0
175.11201	1.6
175.14807	2.6
179.10709	7.1
181.10040	1.4
185.09596	2.0
185.13283	5.8
187.11189	4.1
187.14822	4.6
189.09167	1.4
191.10724	2.4
193.12276	1.5
195.11633	1.2
197.13200	1.3
199.11162	1.7
199.14833	5.4
201.12691	2.2
201.16356	4.6
203.10661	2.6
203.17931	6.5
205.12183	6.0
207.13779	1.2
213.12769	2.8
213.16173	1.9
217.12221	2.4
219.13800	3.6
227.14351	2.4
231.13751	8.0
239.17676	1.4
241.15814	1.2
241.19539	4.8
245.15346	4.5
255.21103	8.1
259.17133	2.8
283.20590	10.1
301.21609	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03946	1.1
55.05261	0.9
55.05515	12.1
57.07079	1.4
61.56522	0.6
61.60310	0.6
65.03959	1.2
67.05507	20.4
69.07071	8.4
69.36203	5.8
73.70959	0.5
79.05495	9.2
81.03436	0.7
81.07059	18.0
83.05005	1.1
83.08605	3.3
87.61332	0.5
91.05480	12.2
93.07048	22.7
95.04976	2.6
95.08611	100.0
97.06516	0.6
97.10168	3.1
98.21570	0.9
103.05445	0.6
105.07037	19.5
107.04951	3.5
107.08600	28.7
109.06526	2.3
109.09457	1.2
109.10163	15.9
109.10916	0.8
111.04441	5.3
111.08052	0.8
111.11731	1.0
114.13715	0.5
117.07005	2.6
119.08591	20.6
119.09443	1.2
121.06519	1.8
121.10147	22.0
123.08083	1.6
123.11713	11.6
125.06000	10.4
128.06204	0.7
129.06996	2.3
130.07832	0.7
131.08585	5.4
133.06499	1.4
133.10141	18.8
134.10933	0.6
135.08072	1.0
135.11700	13.0
137.05983	4.7
137.13263	1.3
139.07605	0.5
141.06996	0.8
142.07813	1.7
143.08569	4.7
144.09338	1.3
145.10124	9.7
147.08089	1.0
147.11684	9.8
147.17903	0.5
149.05998	1.3
149.09552	0.5
149.13260	6.5
151.07578	1.2
151.11232	1.0
155.08594	1.0
156.09343	1.5
157.10123	7.2
157.11302	0.7
158.10902	1.1
159.08057	1.0
159.11697	12.0
161.09619	6.2
161.13268	7.5
163.07578	1.2
163.14857	2.7
165.09164	1.9
169.10176	2.8
171.08054	0.7
171.11687	6.9
173.09683	1.9
173.13281	4.6
175.07591	0.6
175.11157	1.1
175.14850	2.1
177.09195	1.0
177.12865	0.6
177.16402	0.7
179.10686	7.3
181.10210	0.6
183.11763	1.5
185.09650	1.4
185.13274	6.3
187.11185	5.3
187.14757	3.0
189.09155	1.4
189.12816	0.9
189.16362	0.7
191.10704	1.8
191.18011	1.2
193.12277	1.4
195.11682	1.0
197.13271	1.4
199.11241	2.4
199.14790	4.0
201.12769	1.4
201.16409	3.0
203.10680	1.9
203.18007	5.0
205.12230	5.2
207.13823	1.5
209.13155	0.7
213.12773	3.7
213.16425	2.1
215.14432	0.6
215.17982	0.7
217.12245	3.2
219.13756	3.2
223.14894	0.7
227.14322	2.4
231.13815	8.4
233.15460	1.0
239.17981	1.4
241.15961	1.0
241.19521	3.9
245.15433	4.8
255.21094	6.2
257.22702	0.7
259.16980	1.6
265.19440	1.0
283.20624	6.2
290.60742	0.6
301.21625	50.8
304.62589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05512	13.5
57.07071	3.1
61.40279	1.6
67.05515	19.7
69.07071	11.1
69.64293	13.6
79.05492	9.1
81.07056	14.6
83.08610	5.8
91.05478	13.5
93.07044	27.8
95.04963	3.3
95.08612	100.0
97.06521	1.7
97.10149	3.3
105.07031	20.6
107.04958	3.4
107.08591	32.4
109.06499	4.1
109.10165	22.3
111.04435	6.3
117.07008	4.0
119.07789	2.8
119.08575	26.3
121.10139	24.7
123.08055	2.1
123.11717	12.1
125.05994	10.5
129.06993	2.3
130.45348	1.7
131.08566	7.2
133.10130	25.2
135.11700	17.3
137.05968	4.6
143.08527	5.3
145.10121	12.4
147.10707	2.2
147.11659	11.1
149.13231	9.2
151.07457	2.5
157.10110	8.1
159.11714	13.5
161.09607	5.2
161.13277	8.5
163.14810	3.7
165.09052	2.2
169.10144	4.2
171.11714	8.6
173.13263	6.8
175.11311	2.0
175.14784	2.2
179.10619	10.1
183.11615	2.0
185.09631	1.9
185.13274	7.8
187.11203	6.6
187.14816	3.6
189.09288	2.4
189.16493	2.3
191.10771	2.8
191.17876	2.1
199.11206	2.6
199.14833	5.3
201.12701	3.2
201.16396	6.9
203.10661	3.1
203.17896	9.6
205.12270	7.1
207.13832	1.9
213.12708	5.4
213.16367	3.8
217.12238	4.9
219.13831	4.7
227.14314	2.5
230.68466	2.0
231.13786	11.0
239.18005	2.6
241.19588	6.5
245.15311	8.5
255.21176	9.7
283.20532	13.2
301.21637	96.9
302.21948	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.01859	1.9
55.05522	6.8
57.07064	3.0
67.05508	16.7
69.07072	14.7
70.19624	2.7
70.20009	2.7
79.05480	4.0
81.07069	13.7
83.08642	6.0
91.05487	7.2
92.98816	1.2
93.07028	8.5
95.04968	13.5
95.08611	21.5
96.35125	1.1
97.06514	3.7
97.10147	4.3
98.21507	1.7
105.07043	10.8
107.08595	14.2
109.06502	2.0
109.10168	12.5
111.08060	3.0
117.07032	1.9
119.07796	2.3
119.08585	26.2
121.06490	1.4
121.10137	12.9
123.08042	2.6
123.11723	10.2
125.03074	1.2
125.09634	1.8
130.07893	1.4
131.08569	6.7
133.10141	22.3
135.08040	4.7
135.11685	5.7
137.09650	1.8
142.07744	2.2
143.08548	4.9
145.10155	12.9
147.08058	2.1
147.11719	12.7
149.09633	4.5
149.13210	2.8
156.09399	3.2
157.10094	10.2
159.11684	16.6
161.09627	3.7
161.13235	7.9
163.11172	5.7
163.14819	1.6
165.12712	1.4
169.10136	1.5
171.11687	11.8
173.09625	2.9
173.13292	13.5
175.11177	6.6
175.14806	3.4
177.09097	2.0
177.12714	6.3
179.10683	1.8
185.13281	10.8
187.11337	1.5
187.14842	9.9
189.12737	4.0
189.16479	5.9
191.10674	5.7
193.12221	2.0
197.13287	2.1
199.11171	1.9
199.14816	9.4
201.12727	2.9
201.16374	7.0
203.14290	3.9
205.12257	4.5
211.14825	3.6
213.12741	1.6
213.16402	4.6
215.14301	2.1
219.13731	2.0
225.16356	1.5
227.14330	3.2
227.17857	2.7
231.13821	3.4
239.17960	2.3
241.15855	3.4
241.19475	8.5
243.17570	1.5
245.15424	4.3
255.21133	11.4
259.16888	1.7
259.20572	2.6
265.19678	2.9
273.22141	4.2
283.20593	15.6
301.21619	100.0
302.21915	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05502	8.6
57.07076	2.4
67.05504	12.9
69.03376	1.4
69.07065	8.0
70.17931	3.3
70.18327	2.6
71.14885	1.4
73.84492	1.5
74.97545	1.4
79.05498	7.7
81.03364	1.3
81.07056	14.5
83.08602	6.4
91.05486	8.7
93.07035	18.6
95.04951	2.5
95.08606	82.1
97.10171	3.1
105.07030	24.6
107.08593	28.8
109.06499	1.5
109.10159	19.7
111.04465	3.1
113.06029	1.7
117.06977	4.7
119.08582	67.7
121.10125	19.6
123.11688	6.7
125.06012	2.3
131.08575	11.5
133.10132	44.2
135.08011	1.9
135.11678	14.5
137.05995	2.3
139.07510	2.4
143.08548	5.4
144.09344	2.0
145.10118	24.8
147.11688	17.9
147.33992	1.4
149.13248	6.2
151.07483	2.3
157.10132	10.8
158.10805	1.7
159.10460	2.1
159.11707	35.9
160.12389	2.1
161.09599	3.1
161.13252	20.2
163.14801	2.9
165.95868	1.5
170.10948	2.0
171.11703	17.5
173.13258	25.2
173.81494	1.4
175.14735	1.9
177.09190	2.2
179.10660	6.3
183.11612	2.4
185.13239	12.7
187.11171	2.2
187.14835	21.5
188.15587	4.0
189.16435	8.9
191.10596	2.1
193.12241	1.8
197.13229	1.9
199.11293	1.8
199.14833	13.0
201.16393	22.6
203.17937	2.0
205.12201	6.7
207.13866	3.5
213.12726	2.3
213.16383	5.6
215.17868	1.4
217.12248	3.4
219.13832	5.3
227.14304	1.9
227.17928	2.0
231.13770	7.5
241.19490	12.2
245.15320	5.9
255.21075	19.5
257.22516	2.1
259.16739	3.0
273.22183	2.1
283.20520	12.5
284.20764	2.2
301.21613	100.0
302.21909	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	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05508	7.9
56.07409	1.7
61.62062	1.3
67.05513	16.0
69.07075	8.1
70.53309	4.3
79.05499	10.7
81.07061	15.7
83.08614	4.7
91.05486	11.1
93.07060	20.3
94.07290	1.3
95.04956	2.4
95.08614	100.0
97.10175	2.9
105.07022	14.5
107.04951	4.5
107.08601	25.2
109.10171	16.2
111.04419	6.6
117.07001	1.9
117.94361	1.5
119.08587	18.2
121.10141	21.0
123.11727	8.3
125.05981	11.6
129.07008	2.2
131.08577	3.3
133.10143	15.9
135.11699	16.5
137.05980	4.7
143.08563	4.3
145.10164	10.0
147.11703	11.4
149.05920	1.5
149.13312	6.4
151.11098	1.9
156.09384	1.8
157.10135	5.9
159.11720	10.7
161.09605	5.4
161.13268	7.1
163.14832	4.4
169.10114	3.9
171.11685	4.8
173.13258	5.2
175.14883	3.2
177.09036	1.8
179.10698	8.6
185.09651	1.7
185.13268	5.4
187.11209	5.4
187.14822	2.6
191.10614	2.0
193.12222	1.6
197.13301	1.6
199.11160	1.8
199.14865	5.3
201.12862	1.8
201.16383	4.1
203.17976	4.6
205.12273	3.9
207.13751	1.5
213.12752	3.5
213.16428	1.9
217.12489	3.1
219.13789	3.2
227.14267	3.5
231.13794	9.2
241.19595	4.5
245.15392	5.2
255.21246	8.2
259.16962	2.0
283.20520	10.8
295.96100	1.5
301.21646	59.8
302.21933	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	301.216
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.76207	1.5
55.05515	12.4
57.07059	2.6
67.05505	17.7
69.07053	11.3
69.91566	8.7
75.25143	1.6
79.05495	9.9
81.07048	17.1
83.08611	7.5
87.08167	1.7
91.05472	13.0
93.07028	21.4
95.04953	1.8
95.08600	100.0
96.08945	2.4
97.10140	5.2
97.12593	1.4
105.07022	23.4
107.04941	3.6
107.08577	30.4
109.06504	2.2
109.10152	20.0
111.04446	4.4
111.11711	1.6
117.06998	3.7
119.07787	2.6
119.08572	27.9
119.09364	3.0
121.10146	26.1
123.11729	12.0
125.05951	9.4
129.07027	2.5
131.08537	4.4
133.10123	20.5
135.11693	16.3
137.05949	3.1
137.13351	1.8
142.07733	1.8
143.08536	7.4
144.09340	2.0
145.10133	13.9
147.11673	14.6
149.13254	6.9
151.07579	1.8
154.96570	1.5
156.09258	2.2
157.10155	8.3
159.11673	17.0
161.09628	7.1
161.13304	8.7
163.14783	3.5
165.09082	3.2
169.10141	4.1
171.11642	11.3
173.09703	3.0
173.13284	10.2
175.14781	2.7
179.10651	9.3
185.09558	1.8
185.13266	8.6
187.11182	4.8
187.14819	4.7
191.10634	1.9
193.12213	2.0
195.11726	1.8
197.13210	2.5
199.11153	3.1
199.14819	7.4
201.12695	3.0
201.16425	6.5
202.64268	2.0
203.10634	2.2
203.17949	6.7
205.12254	6.7
207.13846	1.7
213.12599	4.1
213.16339	3.7
215.14595	1.5
217.12250	5.0
219.13745	2.3
227.14394	3.2
231.13853	8.4
231.41466	2.0
233.15283	1.8
239.18018	2.5
241.19557	5.6
244.44017	1.6
245.15340	9.2
255.21086	9.4
256.21509	1.6
259.06137	1.5
259.16876	2.0
265.19421	2.6
283.20532	13.2
301.21609	91.1
302.21832	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	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
52.57420	1.5
53.03944	2.2
53.72404	1.8
55.05514	11.6
56.20956	1.6
57.07062	1.5
65.03933	1.8
67.05503	20.4
69.07076	9.8
69.76625	6.6
69.77030	3.2
79.05485	12.0
81.07051	17.6
81.56043	1.9
82.94016	1.6
83.08610	4.6
91.05479	13.2
93.07046	26.2
94.38425	1.6
95.04971	1.9
95.08606	100.0
96.08860	1.6
97.10181	3.0
98.21497	2.2
105.07024	21.0
105.11961	1.7
107.04980	2.3
107.08595	30.0
109.06522	2.1
109.10155	18.6
111.04416	3.4
117.07021	3.9
119.08579	35.9
121.06506	2.9
121.10143	25.1
123.11707	13.0
125.05989	10.6
131.08583	5.8
133.06421	1.8
133.10130	23.4
135.08064	2.1
135.11703	14.6
137.05980	4.9
143.08569	6.5
144.09300	1.9
145.10115	11.7
147.11646	12.7
149.05832	2.7
149.13231	10.1
151.07584	1.8
151.24861	1.7
157.10135	10.7
159.11699	14.5
161.09633	4.9
161.13258	11.8
163.14746	3.9
163.43768	1.9
165.08946	1.9
169.10005	3.2
171.11684	9.5
173.09770	1.8
173.13252	9.9
175.14816	2.8
179.10593	8.6
183.11647	2.6
185.13278	7.6
187.11136	5.3
187.14821	7.7
193.12230	2.2
199.11095	1.8
199.14810	5.4
201.16425	8.6
203.17976	7.7
205.12285	5.4
207.13809	2.3
213.12856	1.8
213.16443	3.7
215.93033	1.9
217.12212	5.9
219.13857	3.5
223.14622	1.9
227.14304	3.3
228.03905	1.7
231.13799	10.2
239.18010	3.3
241.19527	7.7
245.15353	6.2
255.21054	12.9
265.19452	2.9
283.20670	12.5
301.21613	95.3
302.21811	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.48648	1.3
53.03939	3.4
55.05513	14.3
57.07063	2.4
67.05506	21.2
67.70024	1.5
69.07066	11.1
69.91068	8.1
74.89317	1.4
79.05499	10.2
81.07053	20.8
83.08611	7.5
87.76720	1.5
91.05475	15.9
93.07045	32.1
93.42312	1.5
95.04942	2.7
95.08606	100.0
97.10172	4.1
105.07042	19.8
107.04929	3.8
107.08590	36.4
109.06531	3.0
109.10160	21.0
110.11642	1.8
111.04417	4.3
117.06999	5.0
119.08583	29.4
121.06551	1.9
121.10139	30.6
123.08027	2.3
123.11705	10.1
125.05989	7.7
129.07013	2.5
131.08559	7.5
133.06586	1.7
133.10132	24.2
135.11693	20.2
137.05971	2.3
139.07524	2.5
143.08554	6.8
144.09380	1.9
145.10126	10.9
147.08139	1.7
147.11693	13.9
149.13254	6.8
151.07527	3.2
155.08586	2.2
157.10123	10.7
158.11034	1.7
159.11676	16.2
161.09644	5.0
161.13211	12.3
163.14883	4.0
165.09111	3.8
169.10141	4.6
171.11708	11.7
173.09633	2.8
173.13210	10.0
175.14781	3.7
177.09143	3.1
179.10626	8.3
185.13277	9.2
187.11209	5.7
187.14856	4.8
189.16405	1.9
191.10715	4.0
191.17842	3.3
193.12221	2.4
197.13202	2.2
199.11185	4.1
199.14798	7.1
201.12730	2.9
201.16383	6.6
203.10677	2.5
203.17938	4.8
205.12196	8.5
207.13751	3.4
213.12772	6.0
213.16364	2.6
217.12213	7.1
219.13818	5.0
227.14284	3.3
231.13747	12.5
239.17850	2.7
241.19481	5.5
245.15387	9.3
255.21078	10.0
257.22476	2.1
259.16956	2.3
259.20981	1.8
265.19595	3.1
273.22134	2.2
283.20477	13.0
301.21609	98.3
302.21912	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
54.79548	1.7
55.05512	11.4
57.07074	2.1
58.44278	1.6
64.58214	1.6
65.03930	1.6
67.05185	1.4
67.05512	19.0
69.07074	9.6
70.28529	5.6
76.00878	1.8
79.05485	8.6
81.07057	18.0
83.08611	5.4
91.05495	11.2
93.07047	22.9
95.04974	1.8
95.08611	83.3
97.10166	5.4
105.07035	24.0
107.04944	2.2
107.08598	32.8
109.06502	2.3
109.10152	16.0
111.04429	5.9
113.05973	1.9
115.05431	1.8
115.94809	1.5
117.07006	4.5
119.08585	52.7
121.09406	2.3
121.10159	20.2
123.08048	2.6
123.11686	7.0
125.06000	3.1
127.80191	2.1
129.06935	1.5
131.08566	10.8
133.06465	2.0
133.10126	32.4
135.11697	15.6
137.05940	3.6
137.13208	1.5
139.07533	2.0
143.08585	4.9
144.09337	2.5
145.10112	15.3
147.11708	13.3
149.13260	6.7
151.07422	1.8
157.10158	8.7
159.11705	25.4
161.09659	3.8
161.13254	18.2
163.14819	3.7
163.72365	1.4
165.09122	2.3
169.10060	2.0
171.11722	15.2
172.12407	2.1
173.13249	14.7
175.14828	3.1
179.10706	6.1
183.11737	2.6
185.09839	2.4
185.13258	11.3
187.11159	3.1
187.14832	14.2
188.15616	1.7
189.09111	2.1
189.16348	5.7
191.10614	2.7
197.13365	2.1
199.11218	1.8
199.14836	9.7
201.12872	1.9
201.16434	17.3
203.17897	4.0
205.12250	5.9
213.12741	4.0
213.16359	5.9
217.12225	3.6
219.13808	3.0
227.14342	4.0
231.13768	9.9
239.18059	2.2
241.19498	7.7
245.15379	4.9
255.21063	18.2
259.16953	2.4
265.19370	2.3
283.20590	10.7
301.21616	100.0
302.21982	3.3
322.88333	1.7
323.85846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05509	11.8
57.07076	1.6
65.03944	1.0
67.05505	17.2
68.10394	1.1
69.07069	9.5
70.89129	1.8
70.89462	2.3
79.05494	9.4
81.07063	17.6
83.04994	1.1
83.08612	5.5
91.05473	11.8
93.07044	26.8
95.04976	2.7
95.08604	100.0
97.10146	3.3
105.07030	19.6
107.04959	3.9
107.07871	2.3
107.08590	29.4
109.06557	1.9
109.10161	16.4
111.04440	4.4
117.06989	2.3
119.08578	25.2
121.10142	24.5
123.08105	2.1
123.11699	10.2
125.06004	9.1
129.06990	2.6
131.08511	5.5
133.06436	1.3
133.10126	19.3
135.11664	12.4
137.05956	4.2
143.08565	6.4
145.10127	11.0
147.11700	11.9
149.13281	6.2
151.07535	2.7
155.08562	1.5
157.10123	6.6
159.11684	11.7
160.12001	1.5
161.09636	5.1
161.13266	8.5
163.07587	1.6
163.14850	3.5
165.09135	2.1
169.10075	1.7
171.11696	7.3
173.09697	1.1
173.13248	7.0
175.11201	1.6
175.14807	2.6
179.10709	7.1
181.10040	1.4
185.09596	2.0
185.13283	5.8
187.11189	4.1
187.14822	4.6
189.09167	1.4
191.10724	2.4
193.12276	1.5
195.11633	1.2
197.13200	1.3
199.11162	1.7
199.14833	5.4
201.12691	2.2
201.16356	4.6
203.10661	2.6
203.17931	6.5
205.12183	6.0
207.13779	1.2
213.12769	2.8
213.16173	1.9
217.12221	2.4
219.13800	3.6
227.14351	2.4
231.13751	8.0
239.17676	1.4
241.15814	1.2
241.19539	4.8
245.15346	4.5
255.21103	8.1
259.17133	2.8
283.20590	10.1
301.21609	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03922	1.3
55.05513	11.9
57.07056	3.4
65.27580	1.2
67.05499	16.2
69.07058	8.9
69.66318	10.9
79.05484	7.0
81.07061	16.1
83.08593	5.0
91.05463	11.7
93.07043	21.4
95.04967	2.0
95.08605	81.0
97.10159	4.7
98.20765	2.9
103.45634	1.4
105.07022	24.1
107.08591	32.0
109.06473	3.6
109.10152	18.0
111.04472	2.5
117.07010	4.0
119.08571	37.4
121.10150	15.5
123.08058	1.5
123.11699	9.0
125.05988	6.1
129.06935	3.5
130.07774	1.8
131.08597	11.3
133.06468	2.0
133.10124	27.0
135.11688	15.8
137.06067	2.3
139.07538	1.5
141.06859	1.7
142.07805	2.1
143.08542	8.5
145.10124	18.9
147.11691	15.9
149.13226	6.0
151.07553	2.3
156.09409	1.9
157.10101	11.4
158.10916	2.3
159.11668	20.1
159.53450	1.6
161.09627	5.1
161.13251	12.3
163.14804	2.8
163.54364	1.5
165.09117	2.7
169.10127	1.7
170.10864	2.5
171.11705	11.0
173.09686	2.7
173.13263	22.1
175.14815	3.0
177.09007	1.8
177.16342	1.5
179.10670	4.5
183.11656	2.8
184.12471	1.9
185.13283	11.9
187.11151	3.9
187.14841	10.6
188.15582	3.2
189.12708	1.5
189.16325	3.3
191.10637	2.7
193.12221	1.9
197.13365	2.3
199.11168	2.6
199.14798	10.8
201.12883	2.6
201.16377	15.9
203.10683	1.6
203.17941	2.3
204.78407	1.4
205.12260	5.3
207.13829	2.0
213.12749	2.5
213.16402	4.7
217.12218	3.8
219.13716	3.6
227.14305	2.5
227.17874	1.5
231.13739	10.2
239.17912	3.8
241.15755	1.6
241.19511	5.7
245.15416	7.3
252.47528	1.3
255.21060	22.6
265.19528	2.5
283.20581	10.9
301.21594	100.0
302.21902	2.3
302.30502	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	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
51.15341	1.1
52.07847	1.1
52.74628	1.0
54.45213	1.1
54.45513	1.0
55.05518	11.9
57.07066	2.5
67.05509	15.0
68.27319	1.1
69.07073	11.5
70.88366	3.9
79.05509	6.6
81.06624	1.8
81.07060	14.1
83.04974	1.9
83.08640	8.5
88.79751	1.2
91.05479	9.9
93.07044	19.1
94.05373	1.2
95.04935	2.3
95.08611	61.9
97.02940	1.2
97.10172	5.4
101.12514	1.6
105.07037	18.0
107.08596	26.3
109.06478	1.7
109.10165	17.2
111.04427	4.4
111.11716	2.6
112.15115	1.1
115.05441	1.3
117.07033	3.5
119.08586	40.3
120.64387	1.3
121.10152	19.2
123.08080	2.2
123.11707	6.4
125.05986	3.7
129.06976	2.3
131.08577	9.2
131.56303	1.3
133.10143	23.9
135.11711	14.0
137.05942	2.1
137.09592	1.9
137.13193	2.2
139.07521	2.1
142.07730	1.3
142.98232	1.1
143.08572	8.4
145.10123	14.9
147.08017	1.8
147.11705	15.9
149.13271	7.2
156.09251	2.3
157.10153	11.1
159.11707	23.6
160.12347	1.1
161.09665	1.5
161.13255	10.7
163.07605	2.3
163.11234	1.4
163.14796	3.0
165.09117	2.2
169.10107	3.4
170.10884	1.7
171.11729	14.6
173.09616	3.1
173.11951	1.7
173.13289	21.3
175.11191	2.9
175.14796	4.7
177.09065	2.4
179.10664	3.7
183.11690	2.0
185.09595	2.9
185.13271	13.2
187.11162	3.8
187.14799	9.4
188.15616	1.9
189.09084	2.2
189.16344	2.0
191.10631	1.7
193.12231	1.8
197.13298	1.7
199.11111	3.7
199.14819	11.0
201.12849	1.2
201.16412	13.8
203.10689	2.4
203.18011	3.9
205.12279	5.1
207.13847	1.9
213.12770	4.3
213.16364	7.7
215.18098	1.3
217.12253	4.0
219.13762	5.7
227.14305	3.5
231.13835	12.6
239.17825	1.4
241.15829	1.7
241.19514	7.3
245.15392	7.5
255.21120	22.7
259.16806	1.7
265.19452	2.0
283.20535	13.2
301.21631	100.0
302.21841	1.5
302.30588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03922	1.4
55.05268	1.2
55.05516	17.9
57.07064	3.9
65.03898	1.3
67.05503	19.0
69.07070	15.8
69.84112	7.1
69.84511	1.8
70.30124	1.4
79.05500	12.9
81.07057	20.0
83.04975	1.4
83.08616	10.1
91.05491	15.6
93.07052	30.7
95.04968	1.8
95.08610	84.3
96.08907	1.5
97.10168	5.4
103.05519	1.8
105.07035	23.6
107.08597	35.4
109.06526	1.9
109.10165	23.9
111.04469	7.9
111.11723	1.6
117.07021	4.4
119.08591	35.9
121.06507	1.6
121.10146	30.0
123.08046	2.0
123.11722	6.7
125.06010	5.2
127.13950	1.2
128.06317	1.2
129.06993	4.7
131.08566	9.8
133.06514	1.9
133.10130	24.1
135.08029	1.7
135.11700	21.4
137.06013	2.4
137.13219	1.9
139.07513	1.9
142.07750	2.9
143.08571	8.9
145.10130	17.2
147.11714	16.1
149.13257	10.9
151.07559	1.9
156.09378	2.8
157.10152	11.6
159.08066	1.4
159.11693	22.0
161.09605	4.3
161.13258	12.9
163.07532	2.4
163.14857	5.4
163.64857	1.2
165.09126	3.9
169.10129	4.5
170.10928	1.5
171.08064	1.4
171.11662	13.0
172.12312	1.3
173.09689	3.8
173.13274	11.7
175.14842	3.0
177.09117	1.6
177.16464	1.9
179.10696	6.0
183.11723	1.9
185.09657	3.5
185.13257	12.1
187.11180	10.7
187.14841	8.0
189.09132	1.7
189.16403	2.1
191.10698	3.9
193.12320	2.0
196.91124	1.2
197.13336	2.2
199.11205	4.1
199.14809	9.2
201.12703	3.9
201.16422	7.4
203.10692	3.8
203.17978	9.0
205.12222	9.8
209.13223	1.6
213.12814	6.4
213.16270	2.1
217.12265	8.2
219.13828	5.3
227.14273	4.4
231.13808	15.1
233.15346	3.2
239.17886	3.4
241.15878	1.8
241.19542	7.9
245.15417	9.0
255.21107	13.8
257.22650	2.2
259.16861	2.5
265.19388	3.0
283.20593	19.3
301.21631	100.0
302.21921	2.7
302.30701	1.9
303.83575	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00765	0.9
53.03927	1.0
55.05511	7.1
55.05737	1.2
57.03443	1.8
57.07068	1.1
58.06050	0.9
60.04526	59.3
63.77092	0.9
64.39034	0.8
65.03935	1.2
67.05171	1.4
67.05508	18.2
68.05856	1.3
68.29247	0.9
69.03455	1.2
69.07072	8.9
69.47994	0.8
70.06574	0.8
71.04992	2.9
71.11692	3.0
79.05489	12.3
81.07058	31.6
82.07394	1.0
83.04992	1.9
83.08617	8.9
85.06557	3.4
88.03988	21.3
91.05473	10.0
93.07046	20.4
95.04981	1.9
95.08608	12.1
97.02896	1.5
97.05534	0.9
97.06535	4.3
97.10166	1.3
99.08083	1.0
101.02625	0.9
105.07026	4.1
106.05028	100.0
107.08595	11.0
108.08897	1.4
109.10169	3.6
111.04420	1.0
111.08086	3.2
117.07021	4.2
119.08591	5.7
120.08926	3.1
121.06483	1.1
121.10138	4.6
122.10506	0.9
123.11741	2.7
131.08583	4.9
133.10135	7.0
134.10463	2.0
135.11678	7.1
137.05942	1.0
138.05563	1.4
145.10104	2.2
145.84909	0.8
146.10480	0.9
147.04382	1.1
147.11740	1.8
148.04805	1.2
148.12080	1.2
149.13263	9.5
153.06920	1.1
157.10080	0.8
159.11705	4.8
177.12744	2.5
195.13799	7.5
198.06786	1.3
198.13545	2.4
212.15126	1.6
213.14684	1.8
217.05016	1.1
236.16512	4.4
245.04567	1.6
254.17567	4.9
254.19818	1.6
259.10217	1.4
273.04016	3.4
282.16971	37.5
300.14639	1.5
300.17902	3.2
300.20746	10.7
301.03580	6.6
301.06775	1.3
301.10651	5.0
301.21609	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	300.094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01862	1.6
55.02962	0.6
55.05515	1.1
56.05024	0.7
56.96565	6.1
57.03430	3.3
57.07067	0.8
57.82661	0.5
58.06594	0.8
59.04974	0.6
60.75564	0.5
61.02932	2.6
67.05489	1.3
69.03432	7.5
70.06602	3.6
71.01337	0.7
71.05010	3.2
72.08138	0.8
73.02927	3.4
75.39919	0.5
77.00893	0.9
79.05487	0.8
81.03413	1.1
81.07036	0.7
83.04976	1.2
84.04490	1.1
84.08137	3.7
85.02905	14.4
85.06530	1.5
85.36211	0.5
86.09696	1.5
87.04459	1.2
88.03991	1.5
91.04017	0.7
91.05477	2.4
93.07035	0.8
97.02892	7.3
98.06053	0.7
98.97565	3.9
99.04470	0.9
101.00881	1.6
103.03970	1.0
103.07590	0.7
106.17708	0.6
107.08585	0.6
109.07634	1.0
110.06053	0.9
110.97526	0.7
111.04391	0.7
112.06199	5.1
113.04610	2.1
115.03909	1.8
116.07082	0.8
116.98631	4.4
117.01839	0.7
118.06533	1.0
118.08637	0.9
119.01929	7.6
119.04939	2.3
120.02016	0.7
120.04448	0.6
120.08096	3.7
121.01069	1.0
121.06508	2.1
121.08610	1.0
123.03011	2.5
125.04585	1.6
126.04443	0.6
127.03918	3.2
128.10745	0.9
128.98610	1.1
129.05478	0.9
131.00113	0.6
131.01875	1.4
133.01025	0.9
133.03487	4.7
133.04971	1.1
134.99667	3.2
136.06160	2.7
137.02962	2.8
137.05960	3.9
138.05484	1.8
138.09140	27.7
140.05675	19.2
143.00183	0.8
143.01871	0.7
144.00705	0.6
144.04321	0.7
145.05074	0.9
146.06004	1.5
146.99635	2.2
147.04399	5.6
149.00525	4.4
149.02951	1.3
150.01343	1.4
150.05443	1.0
151.02382	0.9
151.04669	2.9
152.05673	2.4
152.06851	0.6
153.00751	0.9
158.99718	1.2
161.00525	1.0
161.01508	0.6
161.02895	1.7
161.05946	0.7
162.05489	1.2
163.02142	0.5
163.04529	0.6
165.00732	1.0
168.05176	100.0
169.03580	1.5
169.05605	0.9
171.01422	0.9
173.02985	1.4
174.05766	0.6
175.00912	4.7
175.02348	1.0
177.00693	2.1
177.05498	1.9
177.07841	2.5
178.00832	5.9
180.06558	0.6
181.03299	1.7
181.06053	0.7
187.02718	0.6
187.04439	0.8
189.00844	1.1
189.02396	4.8
189.06087	0.7
191.03989	1.3
191.05769	1.1
193.03224	42.7
194.03448	1.0
197.06606	1.9
199.00902	0.8
201.00781	1.1
204.06613	0.7
205.00128	0.7
205.05450	1.5
210.06238	1.3
211.04469	1.0
217.01944	9.4
217.03813	0.9
219.01846	2.4
221.05060	0.8
231.03555	1.5
234.06281	1.7
235.00986	0.8
235.03020	6.5
237.02791	2.2
240.03716	1.8
241.06454	1.4
249.04645	0.9
250.97450	0.6
255.03693	0.7
258.04767	0.7
258.33044	0.6
259.03162	1.2
268.16653	1.0
270.07993	1.3
277.00858	1.4
277.04050	1.9
279.09308	0.6
282.07761	2.7
300.10147	5.3
300.14563	5.1
300.19226	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
56.96562	0.5
57.03423	0.7
57.07050	0.3
60.04528	0.4
61.02900	0.3
65.08116	0.3
67.28020	0.3
68.02626	0.3
69.03431	0.4
70.00921	1.7
70.06583	0.7
71.01360	1.6
73.02924	0.5
81.07038	0.3
82.04080	0.4
84.08144	0.4
85.02910	1.3
91.05489	0.4
91.46380	0.3
94.04024	0.3
94.07911	0.3
95.08604	0.9
96.05634	0.4
97.02895	0.7
97.96803	0.3
98.03580	0.3
98.97589	0.6
106.04026	0.3
109.05136	1.0
116.98547	0.3
118.08629	0.4
119.03545	0.9
119.08591	0.9
120.08108	1.5
120.08881	0.5
123.06673	1.0
124.05077	0.3
126.05396	0.7
127.06165	0.4
128.04584	0.3
131.08557	0.3
133.05092	1.3
135.03046	0.5
136.06189	100.0
137.04565	1.4
137.06541	1.3
138.07800	0.9
138.09154	1.0
145.10014	0.3
147.04439	0.5
148.06076	0.6
148.11934	0.4
150.07715	1.5
151.04964	0.3
151.06157	5.7
152.05664	2.2
153.04132	0.4
154.07233	0.5
164.05687	5.6
166.07236	0.4
168.05165	1.2
168.06549	0.4
168.08815	9.4
170.06700	0.4
172.75426	0.3
178.07245	17.1
180.05223	1.2
190.07292	1.7
191.71602	0.3
194.06816	0.3
198.13739	0.4
210.06224	0.5
245.70676	0.3
252.07275	3.2
254.08830	0.8
255.06049	0.5
266.08899	0.5
266.69461	0.3
282.08282	1.9
300.06311	0.5
300.09399	7.8
300.13043	5.7
300.20279	1.5
314.68011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22521	1.2
53.73110	1.3
55.01876	2.2
55.05507	2.7
56.96565	11.4
57.03449	6.3
57.07074	1.8
61.02920	4.9
67.05507	3.1
69.03437	11.5
70.06600	6.5
71.04993	3.8
71.57302	3.1
72.08163	2.2
73.02921	4.7
79.05482	4.8
81.03424	4.3
81.07079	2.3
83.04977	1.9
84.04491	2.0
84.08150	4.1
85.02908	26.1
85.06544	2.5
86.03238	1.6
86.09711	4.9
87.04479	2.6
88.03999	1.9
91.03970	1.5
91.05435	2.7
95.04941	1.3
97.02884	9.1
98.97589	17.8
99.04479	1.4
105.07058	2.7
107.08576	3.2
109.02879	2.5
110.07197	1.4
110.97521	1.7
111.58202	1.7
112.07600	1.7
115.03992	1.9
116.07082	2.3
116.98641	12.1
118.08659	3.0
119.01863	3.5
119.04914	4.2
121.01077	1.3
121.08565	1.9
127.03915	6.3
128.98618	2.7
131.04909	1.6
132.04312	1.3
134.99667	7.7
136.06204	13.0
137.02792	1.6
137.05954	7.5
138.09158	16.1
145.04968	4.0
145.56049	1.3
146.06042	1.7
146.99651	3.1
147.04396	12.5
149.00500	7.4
150.01321	3.0
158.99683	7.1
161.00623	5.1
161.04788	1.4
161.06007	3.4
162.05479	1.8
165.00693	1.7
168.05284	13.0
175.02710	1.4
176.05215	1.7
177.00682	10.6
177.05963	10.4
177.07668	2.5
178.00885	11.4
181.03235	4.6
181.06262	2.6
189.02303	1.9
190.06703	2.3
191.06010	2.6
193.03198	100.0
194.03488	3.2
201.00792	2.1
205.03732	1.4
208.96416	1.6
213.98122	1.6
217.01871	1.8
217.03769	1.4
217.37733	1.3
219.01741	3.2
219.07144	1.6
237.02863	5.5
249.08171	1.8
270.08157	2.0
270.39252	1.4
277.00693	1.9
282.07944	8.2
300.06113	3.3
300.09064	3.0
300.11795	2.7
300.14603	2.5
301.13638	1.6
309.05124	1.8
309.08734	1.8
321.08853	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01871	2.7
55.05500	2.6
56.95195	1.8
56.96566	14.3
57.03441	9.0
57.07079	2.1
59.05010	3.2
61.02930	6.1
67.05510	2.0
69.03432	22.8
69.42656	2.4
69.43060	13.1
69.60375	1.5
70.04095	2.0
70.06579	4.0
71.04996	7.1
73.02921	6.4
75.03114	1.4
77.00909	4.1
79.05494	3.2
81.03411	5.8
81.07069	2.3
83.04990	2.3
83.08649	1.9
84.08153	9.1
85.02907	37.4
85.06553	3.2
86.03226	1.8
86.09711	4.4
87.04472	8.4
88.03997	6.0
89.00928	1.6
91.05492	14.3
92.05813	2.7
93.07047	4.1
95.08591	2.5
96.06869	3.1
97.02890	19.8
97.10189	1.9
98.03565	2.8
98.21532	2.9
98.97603	5.1
99.04434	3.9
101.00896	6.3
107.04978	5.1
109.02894	2.0
109.07671	3.2
112.06243	5.5
113.04627	6.6
115.02454	3.2
115.03947	5.7
116.04598	2.6
116.07111	1.9
116.98660	9.0
118.06560	2.7
118.72260	1.7
119.01929	36.4
119.04955	19.6
119.08600	3.6
120.02010	2.4
120.05280	3.1
120.08133	10.1
120.08898	2.5
123.03038	5.3
125.04629	8.3
126.10262	2.1
127.03940	5.8
128.10696	1.8
131.01900	8.9
133.03487	28.4
133.05013	2.9
134.03510	1.8
134.99687	5.8
135.05026	2.7
137.02968	15.9
137.06017	6.3
138.05542	4.7
138.09143	77.5
138.44934	1.7
140.05730	13.8
141.04120	2.7
142.03528	1.8
145.03560	4.4
145.04982	4.4
146.03716	2.2
146.06023	2.1
146.99678	3.2
147.01456	1.9
147.03255	4.0
147.04405	57.0
148.04730	11.2
149.00552	13.6
149.02956	3.7
150.01326	3.4
150.05457	3.1
151.04639	13.7
152.05708	8.3
152.06866	1.7
153.00749	2.6
155.01949	2.0
156.99828	2.2
159.05069	3.3
161.00539	3.3
161.02921	8.6
162.05539	4.3
163.02678	2.0
165.00764	2.5
168.05183	85.0
169.03508	2.1
170.09265	3.8
171.01447	4.4
173.02975	5.7
174.03122	2.4
174.06062	1.7
175.00897	34.8
177.00775	5.2
177.07922	3.5
178.00862	14.6
179.04115	3.7
180.06564	2.7
181.03194	4.3
187.04509	3.2
188.04572	2.2
189.00859	2.1
189.02434	25.0
189.06142	2.4
190.98625	2.4
191.03996	4.6
191.05788	3.4
193.02028	10.4
193.03282	100.0
197.06573	13.1
197.56650	3.7
198.02478	1.9
199.00865	5.3
203.04013	2.3
205.05449	5.4
213.09235	1.8
214.06003	2.6
217.01941	59.0
217.03937	3.2
219.01961	3.2
221.05110	4.4
231.03644	4.3
234.06522	4.0
235.00746	3.5
235.03012	56.1
237.02846	3.5
240.03596	8.6
245.01526	2.0
249.04541	5.2
256.16641	2.2
258.04602	3.7
259.03067	6.0
261.08304	2.9
268.16602	4.6
277.00897	5.8
277.04102	16.3
279.09314	6.9
282.05154	2.4
282.07993	9.9
288.05124	2.5
300.06393	3.4
300.10187	16.2
300.14569	16.4
300.19199	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	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05511	6.9
65.03929	1.8
67.05499	12.4
69.07068	5.2
69.38990	10.6
71.04962	1.3
79.05473	5.6
81.07054	16.0
83.08615	2.4
84.41502	1.0
85.06521	1.6
91.05474	10.4
93.07043	10.4
95.04962	2.0
95.08050	1.9
95.08608	24.5
98.20809	2.7
105.07042	17.0
107.08590	12.8
109.06506	1.9
109.10159	12.2
111.04437	5.7
117.07014	4.5
119.08585	55.2
121.06484	1.3
121.10163	7.2
123.08025	2.9
123.11683	1.6
125.06005	1.5
128.06203	2.2
129.07005	2.6
130.07802	1.1
131.08551	7.6
133.10133	22.8
135.08063	1.6
135.11681	3.8
137.05965	1.6
139.07491	1.4
141.07027	2.1
142.07796	2.3
143.08528	6.5
145.10132	15.4
147.04425	2.6
147.08041	1.3
147.11678	12.4
155.08557	5.6
156.09315	3.2
157.10106	11.1
158.10802	1.4
159.08038	1.9
159.11679	18.8
160.12415	1.3
161.09560	2.6
161.13266	4.7
167.07080	2.1
167.08554	2.5
168.09322	2.4
169.10089	8.1
170.10876	4.1
171.11693	14.1
173.09598	3.2
173.13266	11.2
175.11145	2.2
175.14699	1.2
179.10654	2.3
181.10126	2.1
181.12230	2.0
182.10919	1.8
183.08043	1.2
183.11694	18.6
184.12384	1.7
185.09668	2.0
185.13240	9.8
186.13983	1.8
187.11153	4.9
187.14848	8.4
188.15439	1.2
189.12773	2.5
189.16394	2.1
191.07045	1.7
191.10670	3.3
195.11713	3.3
196.12566	1.6
197.09605	2.0
197.13264	20.2
199.11189	2.2
199.14825	10.1
200.15596	1.1
201.12781	1.9
201.16385	4.8
203.10638	1.5
205.12248	2.3
207.11803	1.1
209.13266	2.2
211.11185	4.7
211.14792	6.3
213.16319	1.5
215.10724	3.4
217.12238	3.0
223.14795	3.0
224.15570	2.1
225.12785	2.4
225.16376	4.5
229.12221	7.9
231.13760	1.9
234.14146	1.2
237.16367	3.2
238.17148	3.5
239.14243	2.6
239.17923	5.6
243.13834	5.6
253.15817	2.3
253.19540	25.4
255.21028	1.6
257.15347	3.9
263.17963	2.0
271.20590	3.9
271.32608	1.0
281.18964	14.3
299.16635	6.4
299.20038	100.0
300.20538	2.7
322.03207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03940	1.6
55.01858	1.0
55.05511	7.3
57.03433	1.8
57.07064	1.9
65.03941	1.4
67.05502	11.9
69.03435	1.5
69.07069	6.1
70.66592	0.9
71.04989	1.3
75.98473	0.8
79.05489	7.8
81.07056	14.8
83.04980	3.1
83.08614	3.3
85.06548	1.4
91.05476	14.7
91.34013	0.8
93.07050	13.9
95.04962	3.5
95.08608	25.5
97.02856	1.1
97.10153	1.0
99.00815	1.1
99.04414	0.9
103.05430	1.1
105.01465	0.8
105.07030	24.7
107.04950	1.7
107.08602	15.4
109.06512	2.9
109.10162	12.0
111.04453	8.0
115.05473	0.9
117.07038	6.4
119.08583	62.9
121.06496	1.9
121.10142	9.7
123.08090	1.6
123.11688	1.9
125.05984	1.8
128.06198	1.4
129.06993	3.5
130.07764	1.9
131.08592	9.9
132.46382	1.0
133.06532	1.1
133.09134	1.6
133.10132	29.8
135.08076	1.5
135.11681	5.0
137.06004	3.0
139.07495	1.4
141.06967	2.0
142.07758	3.4
143.08562	7.5
144.09375	1.5
145.10129	17.7
145.11270	1.0
147.08044	2.3
147.11691	14.4
149.13229	1.7
151.07542	1.8
151.11171	1.3
154.07802	1.5
155.08569	4.5
156.09326	2.9
157.10126	14.7
158.10962	1.7
159.08089	1.2
159.11700	22.7
160.12450	1.4
161.05977	3.7
161.09633	2.9
161.13274	8.5
163.07581	0.9
163.11208	0.9
165.06978	1.2
165.09108	0.9
166.10553	0.9
167.08546	1.7
168.09315	2.5
169.10155	10.4
170.10889	2.9
171.11693	11.8
172.12498	1.2
173.09662	2.4
173.13286	10.9
175.07544	1.4
175.14836	1.9
177.09059	1.0
179.08569	3.5
179.10721	1.7
181.10158	2.8
182.10950	2.1
183.08086	1.6
183.11719	15.0
185.09656	1.7
185.13264	7.8
187.11214	4.4
187.14812	5.2
188.15608	1.5
189.09036	1.5
189.12816	1.2
189.16403	2.5
191.10675	3.1
193.10197	1.3
195.11720	3.8
196.12500	1.7
197.09612	2.9
197.13246	14.1
199.11194	2.3
199.14827	7.0
201.09058	1.6
201.12827	1.9
201.16356	6.8
203.10703	1.7
205.12296	3.2
207.08064	2.7
209.13264	2.4
211.11165	4.4
211.14819	7.2
213.12837	2.1
213.16301	1.9
215.10728	3.1
215.14218	1.5
217.12282	3.5
221.13257	2.1
223.14757	1.9
224.08359	1.4
225.12825	4.0
225.16400	2.8
229.12189	6.6
231.13797	1.1
235.07616	1.5
237.16386	2.2
238.17229	1.3
239.10648	2.4
239.14369	5.3
239.17932	7.9
243.13858	6.8
253.15727	1.4
253.16780	1.2
253.19510	17.5
255.21152	1.6
257.15381	5.0
263.17886	3.5
267.10190	4.9
271.20654	1.9
281.19061	16.2
294.55838	0.9
299.09366	1.8
299.12701	8.8
299.20065	100.0
300.20416	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03946	2.1
55.01861	1.3
55.05507	8.9
56.96550	2.7
57.03414	1.2
57.07062	2.0
65.03922	1.5
67.05505	17.4
69.03413	2.3
69.07072	9.1
70.06590	1.2
71.04994	2.5
71.57017	2.1
72.08163	1.9
77.48969	1.0
79.05490	10.0
81.03403	2.6
81.07053	19.0
81.82552	1.2
83.04974	3.8
83.08595	4.0
85.02937	1.5
85.06547	2.3
89.03888	1.6
91.05483	15.8
93.07046	17.8
95.04954	4.7
95.08607	23.9
97.02872	5.0
97.06498	1.7
97.10172	2.6
99.00823	1.4
101.71673	1.1
103.05434	1.5
105.07031	25.8
107.04916	2.6
107.08596	18.4
108.34714	1.3
109.06480	2.6
109.10160	17.5
111.04430	5.9
111.08076	1.2
112.44219	1.2
115.05427	1.9
117.03371	2.1
117.06985	7.3
117.07713	1.2
119.08578	71.3
121.06517	2.8
121.10132	11.7
123.08035	1.9
123.11688	4.4
125.05993	1.4
125.09676	1.1
126.76781	1.3
127.03870	1.2
128.06238	2.1
129.06987	3.3
131.08560	10.9
133.06554	1.6
133.09120	1.4
133.10129	28.5
135.04414	2.5
135.08092	1.2
135.11688	10.2
137.02336	2.3
137.06006	3.1
137.09583	1.8
141.07030	2.6
142.07777	2.8
143.08553	8.0
144.09326	2.0
145.02826	2.4
145.10120	26.3
147.04419	6.7
147.08044	1.7
147.11685	16.6
149.09558	2.4
149.13210	1.9
151.11200	1.6
154.07820	1.1
155.08537	7.9
156.09325	4.3
157.10124	13.6
158.10980	1.2
159.10416	2.4
159.11681	24.8
160.12373	2.2
161.09619	4.1
161.13263	6.8
163.03906	12.1
163.11145	2.8
165.09116	1.3
168.09384	2.2
169.10121	11.6
170.10869	3.6
171.08081	1.7
171.11673	13.1
173.09628	3.8
173.13257	9.3
175.11111	1.7
175.14827	2.0
177.00824	1.6
177.09090	1.4
179.10687	2.1
182.10985	2.4
183.08090	1.5
183.11711	15.9
184.12399	1.6
185.09610	2.1
185.13303	11.3
187.11157	4.2
187.14862	7.0
189.09322	1.2
189.12820	1.9
189.16345	3.0
191.10692	1.5
195.11703	2.9
196.12451	2.5
197.09558	1.7
197.13255	16.2
199.11226	2.4
199.14786	8.8
201.09077	2.6
201.12686	2.0
201.16377	4.9
203.10648	2.7
205.12202	4.1
209.13309	2.3
211.11224	4.4
211.14790	7.8
213.12772	2.8
213.16415	2.3
215.10664	3.9
217.12267	3.3
221.13266	1.3
222.11324	1.3
223.14720	1.5
224.15634	1.4
225.10855	1.4
225.12973	5.4
225.16432	3.4
227.14209	1.7
229.12231	7.1
237.00650	3.2
237.16382	3.3
238.17131	1.7
239.14296	4.0
239.17899	9.4
243.13736	6.1
253.19533	16.1
255.01868	1.3
255.17479	1.4
256.02203	1.3
257.15338	4.5
263.18054	2.5
271.20639	2.2
281.19049	15.8
299.05783	2.8
299.09079	2.9
299.14694	2.8
299.20050	100.0
300.20380	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05513	4.6
56.02922	0.8
57.03432	0.9
57.07071	2.0
57.36238	0.7
65.08524	0.8
67.05506	9.3
69.07075	6.3
70.80312	1.3
70.80661	1.7
71.04998	1.1
79.05484	4.4
81.07050	13.6
83.08624	2.7
85.06521	1.0
91.05486	8.8
93.07036	8.8
95.04972	0.9
95.08604	21.9
97.06540	0.8
97.10160	1.6
103.05463	0.7
105.07031	16.7
107.04919	1.1
107.07878	1.2
107.08596	12.2
109.06509	1.6
109.10154	9.0
111.04445	8.6
117.07016	5.0
119.08582	100.0
121.06504	1.6
121.10163	7.6
123.08064	1.9
123.11660	1.7
125.05928	0.8
128.06259	1.3
129.06998	2.7
130.07874	0.9
131.08557	9.5
133.10135	26.7
135.08073	1.2
135.11678	3.1
137.05980	1.0
137.09621	1.0
139.07516	1.8
141.06964	2.8
142.07800	2.0
143.08580	8.2
144.09364	1.5
145.10112	16.4
145.98447	0.7
147.04539	0.8
147.08046	1.4
147.11670	11.5
149.05975	1.1
149.13277	0.9
151.07538	1.1
155.08536	8.0
156.09352	2.9
157.10136	18.0
158.10977	1.5
159.07996	0.7
159.11708	15.3
160.12410	1.1
161.09622	1.8
161.13266	6.2
163.07594	1.1
165.09113	0.9
168.09335	2.0
169.10120	11.6
170.10928	3.1
171.08058	1.4
171.11674	10.6
173.09634	2.6
173.13268	10.9
174.13792	1.0
175.07483	0.8
175.11192	1.0
177.09123	2.1
177.12927	0.9
179.10648	1.0
181.10156	2.5
181.12210	4.4
182.10905	1.6
183.08020	2.5
183.11705	14.8
184.12430	1.2
185.09650	2.2
185.13272	7.9
186.14023	1.4
187.07561	1.3
187.11191	3.9
187.14806	5.4
189.12805	1.2
189.16418	2.3
191.10670	1.7
193.10242	0.9
195.11659	4.3
196.12476	1.4
197.09665	2.4
197.13268	13.9
199.11145	3.2
199.13097	1.2
199.14816	7.0
200.15573	0.9
201.09111	3.3
201.12726	2.1
201.16374	4.5
203.10704	3.1
205.12279	2.2
207.11734	1.3
209.13260	1.6
210.14078	1.3
211.11238	4.5
211.14793	8.2
213.12721	1.2
213.16376	2.7
215.10709	4.0
215.14246	1.3
217.12256	3.2
221.13405	1.3
223.14748	1.4
224.15639	1.3
225.12750	4.0
225.16385	3.3
227.14362	1.0
229.12294	6.7
231.13904	1.5
237.16403	2.8
238.17274	1.0
239.14317	4.4
239.17946	10.0
241.15897	1.1
243.13802	6.5
243.20926	1.0
253.15938	2.9
253.19525	16.6
255.21005	2.0
257.15341	4.3
257.18823	1.2
263.17938	3.2
271.16891	1.3
271.20575	3.0
281.19003	16.4
299.20062	94.7
300.20361	2.2
315.69305	0.8
315.73175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.47219	0.9
51.65729	0.9
55.05516	6.5
57.03440	1.2
57.07072	2.2
59.04989	1.1
65.03931	1.4
67.05508	12.9
69.03433	1.1
69.07064	8.8
71.04988	1.9
71.08630	1.2
71.58571	1.8
78.80515	0.9
79.05498	9.5
81.07051	16.2
81.75049	1.2
83.04977	4.7
83.08604	5.1
91.05488	13.4
93.07047	17.1
95.04980	3.9
95.08040	2.0
95.08614	25.0
97.10157	1.1
103.05442	1.1
105.07034	21.0
107.04923	1.3
107.08600	24.3
109.06509	2.5
109.10152	12.3
111.04443	5.8
113.09653	1.2
117.07025	5.6
119.04943	3.3
119.08587	58.1
121.06487	2.8
121.10137	8.6
123.08068	2.6
123.11723	3.1
125.05986	1.4
129.07010	2.8
131.08556	10.1
132.09344	1.3
133.10150	27.6
135.11713	16.2
139.07568	2.2
141.07004	2.9
142.07773	2.1
143.08563	7.5
144.09367	2.1
145.10132	19.8
147.04404	15.6
147.08134	1.6
147.11702	13.0
149.09648	1.7
149.13258	1.9
153.09109	1.1
155.08565	6.9
156.09358	3.8
157.06512	1.5
157.10133	14.1
158.10876	2.0
159.08127	1.6
159.11710	20.3
161.09619	2.5
161.13266	7.5
163.11169	1.4
163.14748	1.3
167.08603	2.1
168.09344	2.4
169.10136	8.6
170.10881	3.5
171.11685	14.1
172.12569	1.4
173.09619	4.0
173.13298	10.4
175.11217	2.7
175.14827	1.6
181.10175	2.8
181.12271	1.9
182.10907	2.1
183.07993	2.0
183.11710	14.6
184.12440	2.6
185.13242	8.9
187.11185	4.0
187.14828	6.6
189.09123	1.7
189.12708	2.2
189.16373	2.6
191.10701	2.6
193.10132	1.3
195.11665	3.5
197.09573	1.4
197.13268	16.1
199.11206	1.8
199.14883	8.3
201.09068	1.9
201.12878	2.7
201.16380	4.6
203.10707	1.2
205.12183	2.2
209.13258	1.9
210.14076	2.0
211.11211	3.9
211.14792	7.5
213.16429	1.4
215.10703	3.2
215.14445	1.4
217.12271	2.3
221.13269	1.3
223.14838	1.2
224.15660	1.3
225.12852	3.3
225.16389	4.4
227.17857	1.6
229.12196	6.1
237.16418	2.2
238.17114	1.4
239.14256	2.8
239.17915	7.5
241.15781	1.4
242.05444	1.1
243.13902	4.6
248.15704	1.3
253.15791	1.2
253.19513	17.7
255.21140	1.8
257.15414	2.6
257.19138	1.3
263.17932	2.9
271.17697	1.1
271.20563	4.5
281.18988	15.6
281.22272	1.9
299.05869	1.5
299.20074	100.0
300.20377	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.71289	1.4
55.05513	7.8
57.03424	1.5
57.07064	3.0
60.95726	1.5
65.03903	1.4
67.05500	14.6
69.07060	10.3
70.23361	4.7
76.43528	1.3
79.05492	8.7
81.07057	18.0
83.04980	1.9
83.08604	3.8
90.41937	1.6
91.04953	2.0
91.05470	17.5
93.07041	15.1
95.04959	3.0
95.08606	36.0
97.10173	1.6
98.20786	2.2
103.05447	1.6
103.63007	1.5
105.07027	35.9
105.07746	1.7
107.08594	19.8
109.06473	2.6
109.10140	11.2
111.04460	9.8
115.05439	1.8
117.06991	10.2
119.08575	95.9
121.06445	2.8
121.10153	10.8
123.11716	3.2
125.06004	2.0
128.56882	1.4
129.06984	4.2
131.08543	12.0
133.10123	42.9
135.07964	1.9
135.11713	6.9
139.07596	1.6
141.06932	2.6
142.07759	4.1
143.08543	9.5
145.09048	2.0
145.10121	28.5
147.04405	2.2
147.08052	1.7
147.11667	16.9
149.13176	1.4
151.07497	1.8
155.08591	7.5
156.09290	2.7
157.10109	14.4
159.11681	25.8
160.12444	4.2
161.09624	2.2
161.13232	17.4
165.09193	1.9
168.09230	2.1
169.10164	11.2
170.10896	3.9
171.11684	14.5
173.09639	4.0
173.13260	12.7
175.11024	1.4
175.14841	2.0
179.10701	2.1
181.10120	3.2
181.12289	1.8
183.08017	2.0
183.11676	13.9
185.09625	2.0
185.13257	10.0
187.11139	3.7
187.14793	6.1
189.16364	4.9
191.10680	1.8
193.10089	1.8
195.11723	3.4
197.09628	2.5
197.13240	17.0
199.11171	2.5
199.14755	8.5
201.09077	2.4
201.12772	1.9
201.16399	6.4
203.10687	1.6
205.12233	2.2
209.13248	1.9
210.10150	1.5
211.11238	3.5
211.14774	6.7
213.12711	2.1
213.16316	2.0
215.10626	4.3
217.12143	3.2
221.13240	2.6
223.14909	1.8
225.12724	4.4
225.16333	4.1
229.12254	7.9
239.14212	3.8
239.17914	8.5
243.13831	6.1
253.19504	18.5
255.21114	2.8
257.15384	4.1
263.17981	4.6
281.18961	18.5
281.23770	1.7
299.20041	100.0
300.20428	3.4
319.55646	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
52.13123	1.3
53.03948	1.6
55.01864	2.6
55.05509	7.8
57.07068	2.6
67.05511	17.2
69.07069	10.5
70.50293	4.8
70.50640	1.6
79.05492	10.8
81.07061	23.1
83.04966	4.9
83.08598	3.8
91.05486	18.9
93.07052	17.3
95.04948	3.5
95.08054	2.8
95.08613	43.6
97.10137	1.8
105.07033	40.2
107.08590	20.4
109.06491	4.1
109.10191	14.0
111.04465	11.7
115.05444	1.6
117.07024	10.3
119.08586	97.2
121.06492	4.4
121.10153	11.9
123.11728	2.3
125.05971	2.6
128.06256	2.2
129.07013	4.8
129.78009	1.5
130.07809	1.8
131.08575	19.9
132.09337	1.3
133.10143	40.2
135.08058	2.5
135.11665	4.3
137.05916	2.1
139.07509	2.0
141.06995	3.3
142.07777	5.7
143.08559	9.9
143.13806	1.7
144.09354	2.7
145.10127	32.0
147.08032	1.6
147.11702	23.9
154.07848	1.4
155.08595	5.9
156.09325	4.9
157.10121	15.8
158.10869	2.7
159.08087	2.7
159.11696	31.4
160.12444	5.1
161.09663	2.6
161.13257	23.1
165.09053	2.0
167.08583	2.5
168.09270	1.4
169.10143	12.1
170.10875	4.1
171.11687	14.5
173.09645	3.5
173.13290	13.6
175.11220	2.5
175.14865	3.3
179.10677	3.1
181.10071	2.4
182.10893	1.9
183.11725	15.9
184.12541	2.1
185.09528	1.8
185.13272	10.3
187.11195	4.9
187.14818	5.7
189.16380	3.0
191.10687	2.7
195.11694	4.9
197.09630	2.7
197.13300	18.5
199.11197	5.3
199.14825	10.1
201.09183	1.7
201.12839	2.4
201.16403	11.4
203.10645	3.1
205.12268	4.3
209.13185	2.4
211.11195	3.4
211.14825	7.0
213.12744	3.2
213.16411	2.3
215.10619	2.7
217.12279	3.4
219.13812	2.4
221.13177	1.7
223.14806	2.5
225.12852	8.1
225.16348	2.2
229.12212	6.8
231.13821	1.8
231.19958	1.5
237.16435	2.4
239.14334	8.4
239.17896	9.9
243.13794	9.9
253.19493	14.3
257.15332	4.8
263.18097	3.5
281.18988	14.8
299.20074	100.0
300.20700	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	299.2006
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03943	1.3
55.05510	6.5
57.07066	1.4
65.03934	1.6
67.05513	14.6
69.03416	1.4
69.07072	10.2
70.86455	2.3
71.04966	1.5
79.05493	7.0
81.07065	18.9
83.04939	1.5
83.08612	3.0
91.05479	16.8
93.07048	15.0
95.08614	38.0
97.02871	2.3
103.05456	1.2
105.07036	37.5
107.04919	1.3
107.08599	18.1
109.06504	1.5
109.10159	9.1
111.04447	10.3
115.05501	1.3
117.07017	9.7
119.08583	100.0
121.06484	1.4
121.10154	10.5
123.08019	1.4
123.11707	2.3
125.05991	2.8
129.07018	3.6
130.07756	1.8
131.08577	14.6
133.06494	1.8
133.10132	55.1
135.08008	2.1
135.11688	3.7
137.47195	1.0
139.07607	1.6
141.07027	2.3
142.07797	3.0
143.08548	8.6
144.09296	2.9
145.06538	1.3
145.10126	28.4
146.10826	1.4
147.11696	19.5
151.07620	1.4
153.09200	1.2
155.08583	5.9
156.09317	4.4
157.10126	15.3
159.11707	28.0
160.12503	7.6
161.09581	2.7
161.13268	24.7
167.08536	1.3
168.09372	1.5
169.10130	9.7
170.10944	2.6
171.11684	14.1
173.09590	3.5
173.13286	10.4
175.14864	1.7
177.09119	1.4
179.10684	2.4
181.10138	2.9
181.12254	1.4
182.10931	2.7
182.33871	1.0
183.08134	1.0
183.11700	11.2
184.12480	1.3
185.09688	2.3
185.13263	9.7
186.13908	1.3
187.11217	3.6
187.14822	5.0
189.16399	4.6
191.10722	2.3
195.11676	3.6
196.12465	2.1
197.09581	1.7
197.13240	13.3
199.11226	2.5
199.14818	8.7
201.09093	1.3
201.12679	2.3
201.16420	6.4
203.10707	1.4
205.12251	2.0
209.13300	2.1
211.11183	4.4
211.14812	7.5
213.12708	2.3
213.16360	2.6
215.10764	2.0
217.12199	2.6
221.13243	1.4
224.15475	1.1
225.12784	3.4
225.16373	2.8
229.12262	4.7
237.16393	2.0
239.14316	4.5
239.17874	5.5
243.13837	5.4
253.19505	17.0
255.21155	3.6
257.15317	3.3
263.18051	2.6
281.18991	13.3
299.20062	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05503	8.6
57.07068	4.4
67.05508	17.4
69.07070	9.4
71.04989	4.0
79.05485	8.0
81.07056	19.4
83.08636	4.7
85.00851	1.7
91.05482	11.4
92.72588	1.9
93.07056	13.3
95.04934	4.1
95.08601	32.9
97.10168	2.5
98.97567	1.8
103.05433	2.1
105.07032	30.2
107.08591	20.0
109.06490	2.3
109.10144	15.0
111.04439	7.9
116.98538	2.2
117.07024	4.4
119.08586	67.2
121.06490	4.0
121.10122	11.6
121.64156	2.2
123.11713	3.7
129.07024	3.2
131.08553	12.5
133.10133	30.2
134.55887	2.1
135.08041	4.0
135.11696	5.7
142.07767	4.8
143.08560	5.6
144.09352	2.4
145.10127	19.6
147.04413	4.5
147.08040	2.3
147.11673	21.6
155.08546	8.1
156.09343	2.3
157.10147	14.7
159.11685	24.4
160.90025	1.9
161.09656	2.6
161.13275	10.3
163.40086	1.8
169.10136	7.7
170.10866	2.4
171.11673	13.2
173.09570	2.1
173.13275	11.1
175.11224	3.9
175.14854	2.1
181.10141	3.4
183.11659	13.8
184.12440	2.5
185.13301	7.5
187.11224	2.9
187.14822	5.6
189.08965	2.6
189.16333	2.5
195.11726	3.7
197.13274	9.5
199.14836	7.1
201.16414	7.4
205.12238	4.7
209.13263	2.8
211.11188	5.2
211.14891	9.6
213.16536	3.9
215.10847	2.5
217.12325	2.4
219.01723	2.2
225.12854	4.8
225.16437	3.6
229.12323	5.4
239.14299	3.1
239.17909	9.3
243.13866	6.2
252.15187	2.0
253.15900	5.3
253.19499	16.5
255.21404	2.5
258.07437	1.9
263.18042	2.4
271.20581	2.6
281.19006	14.7
299.05557	2.8
299.09253	2.7
299.20068	100.0
299.23334	5.2
299.30487	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05516	9.7
57.07080	3.1
59.26517	1.6
61.25831	1.9
62.03964	1.9
65.03951	2.4
67.05502	12.3
69.07066	10.7
69.33183	1.7
69.63003	1.6
70.11906	9.1
79.05490	7.1
81.07069	20.1
83.08611	4.0
91.05482	18.5
93.07048	17.2
95.04977	4.8
95.08614	37.5
95.92455	1.8
105.07043	37.6
107.08595	16.8
109.06495	2.0
109.10149	10.0
111.04453	11.2
117.07005	9.8
119.08587	100.0
121.06483	4.7
121.10148	9.4
123.08109	1.9
129.07056	2.7
131.08589	14.5
133.10143	44.9
135.11679	3.3
139.07574	2.7
142.07785	3.4
143.08517	9.9
144.09294	4.9
145.10124	28.9
146.30609	1.9
147.11707	19.4
151.07487	1.9
155.08571	6.1
156.09360	4.6
157.10147	15.6
159.11713	25.6
160.12483	6.1
161.09599	3.6
161.13286	19.4
165.09148	2.1
169.10121	12.0
170.10875	2.7
171.11633	12.9
173.13292	11.8
175.11223	1.8
175.14818	3.5
179.10617	3.4
182.10864	3.2
183.11702	13.9
183.30385	1.7
185.13280	7.4
186.50661	2.3
187.11292	2.2
187.14877	3.6
188.15559	2.2
189.16441	4.5
191.10768	3.0
195.11681	2.1
197.13254	14.7
199.11179	2.4
199.14825	7.5
201.12686	1.8
201.16364	7.4
205.12183	3.7
209.13368	2.6
211.14859	6.1
213.16187	2.6
217.12331	3.0
225.12831	4.4
229.12245	2.6
239.14317	2.7
239.17931	5.6
243.13803	7.8
243.21352	1.9
248.05756	1.9
253.19580	18.8
255.21164	2.7
257.15485	4.0
263.18130	3.2
271.17166	2.1
271.20459	2.6
281.19040	14.1
299.20078	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03930	1.5
55.05505	7.3
57.07075	1.7
61.72396	1.4
67.05504	12.1
69.07060	8.1
70.84267	2.4
70.84613	2.0
71.59818	1.5
74.70877	1.6
79.05492	8.6
81.07050	14.0
83.04982	1.7
83.08602	3.1
91.05480	12.1
93.07043	15.1
95.04958	2.0
95.08047	2.4
95.08605	31.7
105.07028	37.1
107.04936	2.4
107.08580	13.4
109.06467	2.4
109.10149	9.2
111.04443	11.0
117.06994	6.2
119.08577	94.8
121.06476	1.7
121.10131	10.6
123.08108	2.9
123.11663	1.9
125.05987	2.0
128.06250	2.2
129.07008	4.4
131.08595	12.4
133.10126	52.0
135.11691	4.0
139.07458	2.0
141.06952	2.5
142.07741	5.3
143.08568	7.8
144.09364	1.6
145.10115	28.9
147.07976	1.8
147.11665	23.2
151.07555	2.1
155.08516	6.9
156.09354	3.9
157.10123	12.6
159.08075	2.0
159.11679	26.3
160.12491	4.1
161.09602	2.4
161.13266	17.6
167.58368	1.5
169.10121	8.9
170.10857	2.9
171.11665	12.9
173.09628	4.4
173.13228	12.1
175.14842	2.6
179.10735	2.7
181.10065	1.6
182.10881	2.8
183.11688	16.0
185.13240	7.8
187.11153	5.5
187.14850	5.3
188.15645	1.7
189.16370	4.2
191.10654	1.8
195.11694	4.5
197.09615	2.8
197.13239	15.6
199.11105	2.6
199.14799	9.4
201.09048	2.4
201.12793	2.1
201.16391	9.2
203.10474	1.6
207.11765	2.2
209.13310	3.5
211.11169	4.1
211.14752	7.6
213.12843	3.3
213.16412	3.2
215.10605	3.7
217.12071	1.9
225.12807	3.8
225.16441	2.8
227.18097	2.0
229.12215	7.0
237.16359	2.2
239.14282	6.1
239.17923	9.3
243.13811	8.0
243.21165	2.5
253.19510	19.2
255.20941	1.8
257.15439	4.4
263.17828	2.3
281.19019	16.5
282.42813	1.8
299.20050	100.0
306.05280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03938	1.9
55.01868	1.6
55.05512	5.1
57.07064	2.0
60.25162	1.1
65.03931	2.0
67.05504	14.0
69.07066	9.0
71.05312	2.0
77.03940	1.4
79.05504	7.0
81.07061	17.9
83.04977	1.5
83.08611	4.1
91.05479	16.9
93.07045	16.5
95.04953	1.8
95.08607	41.3
95.68231	1.1
103.05419	1.7
105.07030	35.1
107.08598	19.2
109.06519	1.6
109.10155	9.7
111.04436	12.4
117.07029	8.4
119.08583	99.3
121.10133	11.4
123.08056	2.3
123.11697	2.6
125.06003	3.0
128.06198	2.7
129.07025	2.0
130.07788	2.0
131.08566	12.1
133.10133	55.0
135.08063	1.7
135.11691	6.0
137.13101	1.4
139.07559	2.5
142.07791	2.8
143.08565	8.4
144.09364	2.1
145.10127	29.1
146.10936	1.3
146.59071	1.3
147.08009	2.5
147.11681	19.2
149.13223	1.5
151.07509	2.3
153.06888	1.6
154.07874	1.1
155.08580	6.7
156.09346	3.2
157.10168	14.3
158.10942	2.2
159.11703	25.6
160.12550	8.7
161.09644	2.4
161.13263	26.6
163.11011	1.1
164.93442	1.1
165.09164	2.2
168.09340	3.2
169.10155	11.3
170.10904	2.9
171.11707	13.5
172.81485	1.1
173.09615	2.4
173.13287	13.2
175.14857	1.9
177.09065	1.6
177.69618	1.1
179.10657	4.0
181.10100	2.5
181.12236	2.1
182.10915	3.0
183.11685	13.3
184.12482	1.9
185.09598	2.7
185.13264	10.8
186.13907	1.5
187.11217	4.5
187.14824	5.3
188.15604	1.8
189.09201	1.3
189.16380	5.0
191.10657	1.8
195.11668	3.1
197.09596	2.7
197.13258	14.6
199.11159	3.7
199.14810	7.0
200.15662	1.3
201.09171	1.2
201.12698	2.7
201.16402	9.4
203.10661	2.2
205.12222	4.2
207.11719	1.8
209.13295	2.5
211.11180	2.5
211.14799	6.1
213.12776	3.2
213.16316	2.8
215.10721	1.4
215.14220	2.2
217.12289	2.2
221.13239	1.1
225.12727	5.7
225.16260	2.3
229.12306	6.5
231.13933	1.1
237.16357	3.3
238.17354	1.1
239.14388	5.5
239.17990	8.4
243.13850	5.9
243.21069	1.4
253.19499	21.0
255.21024	4.9
257.15353	4.6
263.17932	4.7
271.20660	2.3
281.18997	16.3
299.20059	100.0
300.20416	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	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.46567	1.4
53.03939	1.3
55.05509	7.3
57.07096	1.2
59.89529	1.2
65.03934	1.9
67.05507	9.7
69.07072	8.5
69.91478	5.9
79.05498	7.8
81.07072	12.6
83.04953	1.6
83.08631	2.0
91.05480	15.8
92.30749	1.1
93.07047	12.3
93.25796	1.2
95.04982	3.0
95.08043	2.4
95.08607	26.0
105.07034	32.9
107.04951	1.8
107.08598	12.8
109.10158	10.6
111.04451	9.4
115.05453	2.3
117.07051	7.9
119.08584	72.0
120.08912	1.4
121.06505	1.7
121.10145	8.1
123.11671	2.2
125.05978	2.1
128.06253	1.8
129.07030	3.5
129.29530	1.3
130.07826	1.5
131.08571	11.0
133.06505	1.6
133.10126	35.4
135.11684	3.5
137.05988	1.5
139.07544	1.4
141.06953	2.2
142.07771	3.9
143.08600	9.3
144.09302	1.8
145.10121	25.8
146.10786	1.4
147.08069	1.8
147.11687	18.9
153.07060	1.5
155.08554	7.7
156.09346	4.9
157.10132	14.7
158.10918	1.6
159.08072	1.9
159.11696	21.2
160.12509	3.0
161.09641	1.3
161.13298	12.1
162.13684	1.1
167.08545	2.6
168.09285	1.9
169.10158	10.1
170.10968	2.6
171.11682	12.2
173.09645	3.5
173.13281	9.5
175.11180	1.4
177.08974	1.5
181.10101	3.4
182.10956	4.1
183.08130	1.3
183.11699	12.3
185.09599	3.2
185.13249	7.3
187.11151	2.3
187.14807	4.2
187.59975	1.2
189.09233	1.6
189.16357	2.3
191.10677	1.6
195.11711	4.0
196.12480	3.2
197.09540	2.1
197.13260	15.1
199.11162	3.5
199.14850	9.1
201.09026	2.4
201.16362	7.5
203.10684	1.7
205.12180	3.8
207.11604	1.3
209.13286	2.3
211.11150	4.3
211.14847	6.8
213.12750	1.9
213.16470	2.2
215.10663	4.6
217.12189	2.0
221.13211	2.3
222.78555	1.2
223.14900	2.0
225.12733	4.2
225.16402	2.4
227.17857	1.9
229.12260	7.1
237.12563	1.6
237.16585	1.7
239.14348	6.4
239.17935	10.7
243.13847	7.4
253.15862	1.6
253.17102	1.3
253.19510	11.4
255.21086	2.6
257.15390	4.6
263.17969	2.8
271.16754	1.3
271.20541	1.9
281.18979	17.6
299.20059	100.0
300.20447	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	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.01856	1.4
55.05496	8.2
57.07070	2.2
59.42919	1.7
65.03902	1.6
65.66706	1.4
67.05503	15.5
68.16993	1.6
68.27454	1.5
69.07060	7.6
70.04614	8.7
74.54472	1.2
79.05486	5.6
81.07064	17.5
83.04993	2.4
83.08599	2.1
87.33376	1.4
91.05482	12.2
93.07040	16.9
95.04942	1.8
95.07984	1.7
95.08605	34.1
99.51861	1.4
99.75214	1.6
105.06388	2.4
105.07035	32.2
107.04906	1.5
107.08591	16.7
109.06520	2.0
109.10150	7.4
111.04435	9.6
115.05466	2.5
117.07008	10.6
119.08584	95.1
121.06495	1.9
121.10143	9.1
123.08088	1.9
123.11732	2.5
125.06025	1.9
128.06247	2.0
129.06996	3.4
130.07768	1.6
131.08592	15.4
133.10129	52.9
135.11659	4.5
139.07481	2.4
142.07768	2.1
143.08542	7.6
145.10124	24.9
147.07962	1.9
147.11697	20.0
151.02528	1.4
155.08548	6.8
156.09360	3.7
157.10141	14.9
159.11691	26.8
160.12474	4.8
161.09624	2.6
161.13272	18.8
163.77394	1.4
165.09146	2.0
168.09354	2.5
169.10153	10.9
170.10962	1.7
171.11687	14.6
173.09625	3.4
173.13281	11.0
175.14833	2.7
179.10658	2.4
181.10179	2.1
182.10849	2.8
183.08142	1.6
183.11732	14.9
184.12462	2.6
185.09634	2.3
185.13234	9.8
186.13916	1.5
187.11110	3.2
187.14839	5.1
189.09131	2.0
189.16422	5.3
191.10638	2.0
195.11713	3.5
197.13280	18.1
199.14774	7.4
201.12773	2.2
201.16307	7.8
203.10687	2.0
205.12260	3.4
207.11555	1.4
209.13217	1.6
211.11208	5.5
211.14838	7.1
213.12773	2.2
213.16365	2.5
215.10725	2.9
217.12343	2.1
225.12767	5.1
225.16330	2.5
229.12256	6.4
237.16449	2.2
239.14366	5.1
239.17888	9.6
243.13893	7.7
248.15588	1.8
253.15913	2.0
253.19533	19.3
255.21114	4.1
257.15338	3.9
271.20587	3.2
281.18997	16.2
299.20068	100.0
300.20554	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05522	6.6
57.07055	1.7
60.56923	1.1
65.03928	1.5
67.05504	10.7
69.07070	8.2
70.77302	2.9
70.77651	1.3
71.04990	1.3
73.18025	0.9
75.76349	0.9
77.03932	1.0
79.05495	8.2
81.07052	13.9
83.08634	1.5
87.57044	1.1
91.05486	15.5
93.07054	13.0
95.04956	2.7
95.08051	1.9
95.08618	26.2
97.06478	1.3
103.05440	1.3
105.07040	31.5
107.08609	13.3
109.06479	2.4
109.10168	9.3
111.04437	5.8
115.05445	1.8
117.07033	6.8
119.08587	70.5
121.06482	1.6
121.10166	9.0
123.08024	1.6
125.06005	1.3
127.07496	1.1
128.06239	1.7
129.07008	4.3
130.07797	1.4
131.05006	0.9
131.08577	12.9
133.06480	1.2
133.10139	37.8
135.08032	2.0
135.11707	3.1
139.07552	1.9
141.07002	2.1
142.07765	3.7
143.08575	10.3
144.09282	2.5
145.06465	1.6
145.10133	24.3
146.10916	1.5
147.08047	2.6
147.11690	17.0
149.13318	1.7
150.90033	1.0
151.07600	1.3
154.07736	1.4
155.08577	8.2
156.09380	2.7
157.10136	13.2
158.10918	2.0
159.11694	20.8
160.12440	3.7
161.09691	1.9
161.13298	13.7
163.11270	1.3
167.08601	2.3
169.10133	10.3
170.10896	3.8
171.11725	9.8
173.09621	3.1
173.13264	9.5
175.11224	1.5
177.09178	1.8
179.10666	1.7
181.10075	1.9
182.10910	3.5
183.11731	12.6
185.09702	1.9
185.13254	7.8
187.11185	4.4
187.14784	5.1
189.16402	3.9
191.10692	1.9
195.11705	4.5
197.09654	1.9
197.13257	13.7
198.13892	1.1
199.11192	2.0
199.14832	6.7
201.12727	1.8
201.16418	6.7
202.17197	1.3
203.10620	2.1
205.12215	1.7
207.11749	1.7
209.13264	3.0
211.11227	2.3
211.14835	7.6
213.12758	2.6
213.16403	1.4
215.10660	3.1
217.12250	2.6
221.13330	1.4
223.14799	1.4
224.15732	1.2
225.12646	6.1
225.16235	2.1
229.12274	4.9
231.13747	1.5
233.13091	1.2
237.16428	3.0
239.14304	4.8
239.17966	7.0
243.13971	5.4
253.19554	11.6
255.21046	3.1
257.15338	4.6
263.17871	2.8
271.17056	1.1
271.20511	2.0
273.54126	1.3
281.19006	16.1
299.20071	100.0
300.20316	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05492	4.6
56.70403	1.0
57.07059	1.5
58.96093	0.9
60.04504	2.6
67.05502	10.2
69.07059	4.5
69.63516	1.0
69.92484	4.4
79.05488	5.1
81.07053	13.5
82.31889	1.1
83.08611	2.5
91.05481	7.8
93.07032	8.3
95.04949	1.3
95.08605	24.4
103.05390	1.1
105.07030	15.0
107.08604	11.5
109.06496	1.3
109.10148	11.3
111.04428	4.6
117.07017	3.1
119.08577	46.4
121.10163	7.7
123.08057	1.7
123.11694	1.0
129.06995	2.1
131.08565	6.9
132.09346	1.3
133.10120	20.6
135.11684	3.1
137.09584	1.2
142.07767	2.5
143.08598	5.6
144.09317	1.8
145.10117	14.3
147.11662	11.7
151.07469	1.5
155.08551	2.8
156.09370	2.0
157.10135	9.1
158.10860	1.9
159.11678	15.4
160.12531	1.3
161.13225	6.0
169.10121	6.2
170.10907	4.2
171.11691	11.6
173.09621	2.7
173.13275	13.4
175.11156	1.9
175.14821	1.9
181.10130	2.0
182.10892	1.6
183.08084	1.2
183.11688	12.5
184.12439	2.0
185.13281	7.9
187.11194	4.3
187.14825	6.9
189.12756	1.3
189.16258	2.4
191.10674	3.4
195.11693	3.0
196.12413	2.1
197.13251	14.8
199.11244	1.7
199.14780	6.2
201.12698	2.4
201.16408	4.2
203.10698	1.4
205.12257	3.4
208.12526	1.5
209.13239	2.7
211.11205	3.9
211.14771	6.2
215.10670	3.2
217.12248	3.1
223.14764	1.7
224.15619	1.6
225.12770	2.9
225.16333	3.0
229.12303	7.2
229.15903	1.3
237.16347	3.3
238.17154	2.1
239.14389	3.4
239.17986	5.8
243.13832	4.5
253.15892	3.4
253.19485	17.8
255.17497	1.2
255.21004	1.8
257.15369	3.6
257.19012	2.6
263.17935	1.8
271.17038	1.4
271.20544	5.0
281.18985	12.2
299.20053	100.0
300.20392	2.4
322.42081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.45105	1.4
55.05503	5.7
67.05506	10.5
67.56246	1.5
69.07072	3.4
71.21176	1.9
71.21499	1.8
76.74831	1.5
79.05488	3.1
81.07061	13.8
83.08638	2.8
91.05477	10.4
93.07034	10.7
95.04953	1.9
95.08613	20.9
105.07038	19.7
107.08586	12.9
109.06500	1.9
109.10178	13.6
111.04458	6.4
117.07001	4.5
118.42979	1.4
119.08588	94.9
121.06526	1.6
121.10162	5.4
123.08088	1.6
123.11716	2.0
128.06268	2.2
129.06973	2.2
130.07811	1.3
131.08562	10.0
133.10144	24.9
135.11748	2.8
141.07005	2.4
142.07776	1.9
143.08553	8.1
144.09317	2.8
145.10135	18.2
147.11679	12.9
148.66794	1.4
154.10452	1.8
155.08562	6.8
156.09358	4.6
157.10147	12.0
158.10849	2.5
159.11691	26.9
161.13245	4.4
169.10138	13.1
170.10860	3.4
171.11711	11.7
172.12520	2.9
173.09648	4.4
173.13255	11.0
179.10716	1.8
181.10124	4.0
182.10886	3.9
183.11684	19.7
184.12462	2.9
185.13257	13.2
186.14053	2.2
187.11217	4.6
187.14815	7.2
189.12727	1.9
189.16425	2.9
191.10724	3.9
195.11687	3.2
197.13286	21.4
199.14847	6.2
201.12787	1.8
201.16386	4.2
205.12161	3.0
209.13310	4.8
211.11205	3.0
211.14851	6.8
213.16437	1.6
215.10614	2.0
223.14772	2.0
224.15578	3.6
225.12753	2.3
225.16385	3.9
229.12273	5.0
237.16444	2.4
238.17114	2.1
239.14342	2.3
239.17912	9.5
240.14789	1.5
243.13800	5.4
253.19543	26.7
255.20888	1.9
257.15472	3.7
263.17944	2.8
271.20590	2.3
281.19061	17.7
299.20078	100.0
321.46243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03925	2.4
55.05504	8.2
57.07071	1.6
67.05497	12.5
69.07066	7.4
70.77149	1.9
70.77531	2.7
79.05497	7.9
81.07050	16.2
83.08598	3.4
91.04889	1.6
91.05477	27.4
93.07033	19.5
95.04950	4.8
95.08604	34.5
97.10148	1.6
100.27680	1.1
101.13552	1.1
105.07027	38.7
107.08585	19.5
109.06500	2.1
109.10150	10.6
111.04440	7.7
115.05448	1.3
117.07021	9.4
119.08576	100.0
121.10130	7.3
123.08095	2.5
123.11702	2.0
125.05927	1.8
128.06245	1.8
129.06995	3.5
131.08560	14.1
133.06485	1.7
133.10126	36.2
135.11708	3.7
137.06017	1.7
139.07524	1.7
141.07021	3.8
142.07764	2.2
143.08554	6.4
144.09354	1.7
145.10112	24.9
147.11665	14.8
149.13237	2.6
153.06996	1.3
155.08553	9.9
156.09325	4.7
157.10138	14.7
159.08058	2.0
159.11682	22.7
160.12401	1.6
161.09509	1.8
161.13240	6.5
168.09232	1.2
169.10109	9.9
170.10979	2.2
171.11668	11.3
173.09625	2.9
173.13257	12.9
175.11176	1.6
177.09122	1.8
179.10541	1.5
181.10051	2.9
181.12288	2.3
182.10780	2.9
183.11693	16.3
185.09698	2.3
185.13216	6.6
187.11174	3.8
187.14795	6.9
189.16434	2.5
191.10657	3.2
195.11667	3.0
196.12410	1.6
197.09615	1.5
197.13260	14.6
198.13791	1.4
199.11124	2.9
199.14810	6.9
201.09074	2.6
201.12839	1.9
201.16318	8.2
203.10670	1.9
205.12247	4.2
207.11664	1.5
209.13182	1.7
211.11171	5.8
211.14865	7.4
213.16389	2.3
215.10600	3.3
217.12228	2.3
221.13359	2.3
223.14809	1.7
225.12679	2.7
225.16327	2.3
229.12201	5.7
231.13826	2.4
237.16414	3.6
239.14265	3.5
239.17888	7.8
243.13786	6.3
253.19498	18.0
255.20996	2.3
257.15326	2.2
263.17966	3.1
281.19022	15.3
299.20038	92.1
300.20425	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03934	1.6
55.05507	7.8
57.07085	1.9
66.60002	1.3
67.05504	15.1
69.07073	8.3
70.65040	2.8
70.65369	2.0
79.05486	8.0
81.07059	18.5
83.04967	1.6
83.08607	1.8
91.05482	15.3
93.07045	12.8
95.04979	2.1
95.08608	34.3
105.07034	38.3
107.08573	16.4
109.06498	1.9
109.10167	8.3
111.04447	10.2
117.06315	1.3
117.06985	8.0
119.08582	100.0
121.06523	2.4
121.10135	9.8
123.08049	1.9
123.11722	2.8
125.05977	2.5
128.06227	2.2
129.07008	3.3
131.08575	12.5
133.10130	54.3
135.11714	4.0
136.20137	1.3
139.91118	1.3
141.06993	2.3
142.07755	3.1
143.08568	8.0
144.09343	3.1
145.09038	2.5
145.10123	32.6
147.08051	1.3
147.11687	19.6
151.07581	2.3
155.08546	7.1
156.09349	4.2
157.10130	13.8
159.11705	25.6
160.12465	6.1
161.09637	2.0
161.13242	23.5
167.06032	1.3
169.00168	1.2
169.10168	8.6
170.10849	2.4
171.11674	11.2
173.09569	3.3
173.13268	11.4
175.14833	2.0
179.10698	3.6
182.10934	2.2
183.11732	12.3
185.13214	9.5
187.11115	3.7
187.14769	6.6
188.15652	1.9
189.16411	5.3
191.10687	2.9
193.12212	2.0
195.11679	3.7
196.12439	1.6
197.13275	14.5
199.11185	2.5
199.14767	7.0
201.12769	2.2
201.16370	7.5
203.10786	1.6
205.12193	2.8
207.11575	1.4
209.13287	2.2
210.13853	1.3
211.11189	3.1
211.14809	7.3
213.12671	2.6
213.16307	1.7
215.10725	2.1
217.12276	2.4
223.14836	1.4
225.12695	4.0
225.16341	2.3
229.12210	5.2
237.16394	2.1
239.14394	3.4
239.17966	5.2
243.13808	5.8
243.21059	2.4
253.19514	18.1
255.21130	2.1
257.15384	4.3
263.17853	3.4
281.19022	16.8
299.20065	80.4
300.20313	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05505	5.5
55.46867	1.0
57.07064	0.9
67.05501	9.3
69.07049	4.4
69.87738	4.9
79.05491	5.3
81.07050	15.9
83.08607	2.5
91.05486	8.8
93.07056	8.6
95.08607	24.5
97.10166	1.4
105.07022	17.4
107.08579	10.9
109.06533	1.7
109.10149	13.3
111.04443	4.7
114.37559	0.9
117.07014	4.1
119.08580	44.8
121.06469	1.1
121.10132	6.6
123.08070	2.7
123.11666	1.0
125.06036	1.4
128.06209	1.1
129.06992	2.4
129.24492	0.9
131.08542	6.9
132.09352	2.4
133.10133	27.6
133.11086	2.2
135.11720	2.8
137.05930	1.1
141.06961	1.5
142.07802	2.1
143.08499	4.9
144.09319	2.2
145.10112	15.5
147.08066	1.4
147.11681	12.9
155.08562	3.9
156.09312	3.0
157.10161	9.3
158.10895	2.3
159.11681	17.5
161.13237	5.3
165.09009	1.8
168.09274	1.5
169.10130	7.8
170.10927	3.2
171.11684	14.4
173.09636	3.7
173.13257	15.7
175.11235	1.0
181.10190	1.5
182.10962	3.0
183.11671	18.9
184.12450	2.0
185.09596	1.8
185.13264	9.9
186.14032	1.4
187.11206	3.6
187.14764	6.8
188.15739	1.1
189.09094	1.5
189.12755	1.9
189.16479	1.8
191.10635	3.2
195.11722	3.9
196.12444	1.9
197.09592	1.6
197.13260	15.6
199.11198	2.6
199.14821	6.9
201.09213	1.9
201.12732	1.9
201.16385	5.4
203.10696	1.0
205.12224	2.6
209.13274	2.4
210.14047	1.8
211.11215	5.4
211.14777	7.3
213.16362	1.6
215.10728	1.7
217.12241	4.0
221.13217	1.1
222.13945	1.3
223.14769	1.7
224.15547	2.8
225.12726	2.1
225.16382	5.8
229.12231	10.0
229.65720	1.0
231.13818	1.5
237.13722	1.1
237.16376	3.9
238.17058	1.4
239.14284	2.8
239.17941	6.6
239.20056	1.1
243.13940	5.1
252.79819	1.2
253.15887	8.6
253.19498	22.5
257.15369	2.6
263.18005	2.9
271.17026	2.6
271.20551	1.6
281.19003	13.1
299.20056	100.0
300.20184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05507	4.1
55.79415	1.7
59.02763	1.7
67.05501	11.7
69.07056	6.8
71.03344	4.5
79.05499	7.6
81.07057	19.0
83.04981	1.7
91.05468	12.5
92.89794	1.3
93.07038	10.6
95.04948	2.2
95.08605	26.5
105.07018	16.5
107.08601	13.4
109.10138	16.2
111.04427	3.6
111.99350	1.6
117.06992	4.5
119.08582	53.1
121.10130	7.8
121.38409	1.6
123.08103	3.4
123.11668	2.6
129.06989	2.0
131.08604	8.4
133.06612	1.4
133.10150	23.8
135.11687	7.1
141.07089	2.0
142.07751	2.0
143.08553	6.8
145.10107	17.3
147.04469	4.4
147.07985	2.0
147.11670	14.5
149.09604	1.9
155.08537	5.5
156.09320	4.1
157.10153	9.4
158.10809	1.9
159.07962	2.0
159.11705	20.2
160.12521	1.7
161.13235	6.2
165.09171	2.1
168.09354	3.3
169.10159	8.1
170.10872	4.4
171.11717	15.1
173.09644	5.5
173.13287	12.8
175.11227	1.7
181.10089	1.9
182.10982	3.3
183.11674	17.7
184.12488	2.4
185.13234	13.7
186.13832	2.2
187.11162	4.7
187.14838	7.7
189.12709	2.9
189.16277	2.3
191.10611	4.5
195.11676	3.7
196.12369	3.0
197.09631	2.0
197.13245	19.3
199.11201	3.7
199.14824	11.1
201.09198	2.2
201.12784	1.8
201.16406	4.6
205.12160	3.1
209.13266	3.6
211.11153	4.4
211.14818	10.2
213.16443	3.3
215.10666	2.2
217.12294	3.7
221.13254	1.9
223.14870	3.0
224.15482	2.8
225.12782	4.5
225.16386	6.2
229.12277	6.6
231.13768	2.9
237.16425	4.0
238.17184	2.6
239.14285	3.2
239.17943	7.8
243.13815	3.6
253.15887	6.2
253.19502	24.2
255.21068	2.1
257.15466	4.1
263.18008	1.9
281.19034	13.9
299.20044	100.0
300.20410	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	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05511	9.0
56.39191	1.2
66.21505	1.1
67.05506	14.8
67.61465	1.3
69.07056	7.6
70.23671	2.5
70.24072	2.6
79.05500	6.2
81.07046	16.9
81.64247	1.2
83.04971	2.5
83.08613	3.5
91.05473	23.7
93.07034	17.2
95.04938	1.9
95.08601	37.2
96.97091	1.2
103.05473	2.5
105.07028	37.8
107.04958	1.7
107.08586	19.6
109.06496	2.3
109.10149	9.4
111.04432	13.9
117.07005	11.7
119.04955	1.7
119.08574	100.0
120.08905	1.7
121.06464	2.2
121.10117	7.0
123.08000	1.7
123.11702	2.4
125.05996	2.2
129.07005	4.2
131.08549	14.4
133.10126	53.2
134.10641	1.4
135.11681	4.4
137.05959	2.6
141.06938	2.9
142.07803	3.7
143.08559	9.2
144.09332	1.8
145.09038	2.2
145.10114	27.4
147.11676	21.2
149.13206	1.9
151.07480	2.5
155.08504	6.5
156.09331	4.2
157.10139	12.2
158.10901	2.3
159.11684	31.7
159.75838	1.5
160.12463	7.6
161.09637	2.6
161.13266	22.2
168.09399	2.1
169.10095	10.2
170.10872	2.3
171.11674	14.8
173.09595	2.2
173.13257	13.4
175.14766	1.9
179.10669	4.6
181.10088	2.7
181.12248	2.2
182.10895	2.0
183.08078	1.5
183.11673	14.3
185.13252	8.4
187.11188	3.1
187.14845	3.8
189.16336	3.7
191.10535	2.7
195.11678	3.7
197.09502	1.4
197.13260	15.7
199.11240	3.1
199.14789	6.4
201.12790	2.3
201.16364	5.8
203.10722	1.7
205.12227	3.2
208.52289	1.5
209.13310	2.0
210.13971	1.8
211.11180	3.3
211.14716	6.5
213.12772	1.9
215.10619	2.4
217.12309	3.2
225.12679	4.0
225.16382	3.9
227.17856	1.5
229.12169	5.6
233.12956	1.4
237.07236	1.4
237.16411	2.5
239.14288	3.4
239.17938	6.0
243.13782	4.7
243.21106	1.7
253.19508	16.7
255.21059	2.8
256.32288	1.4
257.15396	4.1
263.17984	3.0
281.19064	12.6
299.20038	80.2
300.20395	3.0
301.54605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
50.71389	0.5
53.03950	1.0
55.01868	1.0
55.05502	5.0
56.40283	0.5
57.07077	1.5
65.03930	0.9
67.05506	11.0
69.03429	0.7
69.07069	5.5
70.64481	1.3
71.04986	0.8
71.08623	1.3
77.14302	0.5
79.05492	6.6
81.07060	12.8
83.04991	1.5
83.08616	2.2
85.02954	0.9
85.06535	0.8
86.06068	1.0
91.05481	17.6
93.07045	16.6
95.04993	2.7
95.08608	22.3
95.55309	0.6
97.02884	1.3
97.10166	1.1
98.13860	0.5
98.97572	0.6
99.04398	0.7
103.05472	1.6
105.07032	26.5
107.04926	1.0
107.08594	13.8
109.06509	1.7
109.10153	10.3
111.04443	7.6
111.08123	0.6
115.05401	1.3
116.98666	0.6
117.07015	9.0
119.08580	100.0
120.08920	1.6
121.06530	1.6
121.10133	6.9
123.08096	1.2
123.11684	2.0
125.05991	2.2
129.06996	2.9
131.08560	13.0
132.09349	0.7
133.06468	1.1
133.10127	26.1
135.08069	1.4
135.11681	3.5
137.05984	1.5
137.09563	0.8
139.07568	0.9
141.07005	2.1
141.09106	0.9
142.07756	2.4
143.08554	7.6
144.09315	1.8
145.10124	18.3
146.10860	1.2
147.04402	1.2
147.08018	1.2
147.11697	10.9
149.06000	0.9
149.13326	0.8
151.07530	1.0
153.07018	1.2
154.07785	0.8
155.08540	8.2
156.09329	2.5
157.10129	12.5
158.10822	1.1
159.08060	1.4
159.11690	18.6
160.12439	1.3
161.09607	1.5
161.13249	7.5
163.07480	0.9
165.09137	1.4
167.08612	0.9
168.09344	1.8
169.10139	9.6
170.10890	1.8
171.11690	8.7
172.12460	0.7
173.09630	2.3
173.13266	7.3
174.92844	0.6
175.14810	1.6
177.09087	1.2
179.10704	1.2
181.06508	4.2
181.10136	1.9
181.12271	4.7
182.10837	2.4
183.08061	2.5
183.11678	12.0
184.12383	0.6
185.09616	1.5
185.13263	7.0
186.14038	0.9
187.07576	0.7
187.11185	3.9
187.14845	3.7
189.09093	0.9
189.12715	0.6
189.16348	2.5
191.10623	1.2
193.10228	1.0
195.11661	3.0
196.12471	1.2
197.09639	1.6
197.13245	10.9
199.11172	1.8
199.14806	5.5
201.00684	0.6
201.09048	3.1
201.12718	1.5
201.16403	7.2
202.17336	0.7
203.10638	1.8
205.12238	3.4
207.11745	1.1
208.07574	1.6
209.13245	1.7
210.14107	1.0
211.11163	4.7
211.14810	5.2
213.12793	1.5
213.16396	1.6
215.10686	3.5
217.12248	2.2
219.13763	1.0
221.13223	2.2
223.14850	1.1
224.15619	1.0
225.12741	2.5
225.16389	1.8
229.12265	5.8
230.24188	0.6
231.13908	0.8
237.16466	2.1
239.14275	2.0
239.17934	6.4
243.13826	4.6
243.21292	0.6
249.02702	0.7
253.15707	0.9
253.19525	15.7
255.20985	1.6
257.15390	2.5
263.17944	2.4
271.20575	0.7
281.19025	12.7
291.03693	0.8
299.20059	72.6
300.20490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.23802	0.8
53.03944	1.9
55.05515	7.1
57.07064	2.8
65.03926	1.0
67.05505	11.6
69.03438	1.3
69.07070	8.3
71.04978	1.1
71.59784	1.8
79.05486	7.4
81.03396	1.0
81.07054	19.8
81.71804	0.8
83.04980	3.1
83.08620	4.1
85.06528	1.4
91.05479	14.0
93.07047	13.1
95.04971	2.9
95.08608	28.3
97.06521	1.8
97.10138	1.8
99.08099	1.2
101.99649	0.9
103.05482	1.5
105.07030	25.8
107.04961	2.5
107.08595	13.3
109.06522	2.7
109.10155	15.9
110.24000	0.8
111.04445	7.1
111.08101	1.0
115.05466	1.5
117.07033	6.1
119.08582	66.8
121.06524	3.5
121.10148	9.0
123.08074	2.3
123.11702	3.2
125.05997	1.5
128.06224	1.7
129.06982	2.4
130.31027	0.9
131.08560	9.9
133.09113	1.4
133.10127	28.8
135.08025	1.7
135.11743	4.3
137.06052	2.4
141.06979	1.9
141.09111	1.4
142.07780	3.8
143.08548	6.6
144.09322	2.1
145.06505	1.3
145.10123	20.2
147.08134	1.8
147.11674	13.3
149.09633	1.4
149.13309	2.0
153.09071	1.0
154.07805	1.1
155.08582	6.8
156.09360	6.1
157.10118	13.1
158.10933	2.9
159.07999	1.5
159.11688	18.9
161.09648	1.9
161.13248	8.4
163.11198	1.7
165.09100	1.5
167.08594	1.7
168.09393	2.4
169.10139	11.7
170.10883	3.9
171.08086	0.9
171.11684	13.5
172.12515	1.1
173.09619	3.9
173.13272	11.5
175.07544	2.0
175.11134	2.0
175.14841	1.7
176.73444	0.9
177.09190	1.2
179.10648	1.1
181.10101	3.5
181.12221	1.0
182.10944	3.1
183.11684	16.5
184.12532	1.5
185.09688	1.8
185.13251	10.8
187.11205	5.4
187.14783	8.5
188.15518	1.0
189.12735	2.2
189.16382	2.2
191.10661	3.8
195.11742	4.7
196.12474	2.5
197.13263	17.7
199.11127	3.2
199.14807	7.4
201.09120	2.0
201.12767	2.7
201.16515	6.4
203.10704	1.8
205.12279	3.2
207.13750	1.0
209.13268	2.6
210.14059	1.5
211.11227	4.1
211.14771	8.7
213.12741	1.6
213.16365	2.6
215.10732	2.2
215.14262	1.9
217.12190	2.2
219.11732	1.1
219.13704	1.4
221.13263	1.9
223.14844	2.4
224.15712	2.4
225.12794	3.2
225.16330	3.1
227.14296	1.3
227.17862	1.2
229.12189	6.2
229.15799	2.0
237.16321	2.3
238.17130	2.2
239.14287	3.9
239.17950	10.1
243.13763	4.6
253.16052	1.9
253.19510	23.1
255.21220	1.6
257.15375	3.9
263.18018	2.0
271.10779	2.1
271.20557	3.6
281.19064	16.1
288.12582	1.0
299.06226	1.5
299.09259	3.2
299.20068	100.0
300.20383	1.5
317.02591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05500	5.1
57.07095	1.3
67.05503	11.2
69.07066	8.0
69.43012	3.2
69.43439	7.7
79.05488	7.0
79.98864	1.1
81.07059	18.3
83.04985	1.2
83.08618	2.6
91.05482	12.3
93.07048	11.6
95.04946	2.3
95.08607	34.5
98.20688	1.0
103.05478	1.1
105.07027	29.0
107.08607	16.7
109.06526	1.5
109.10153	14.3
111.04440	9.5
117.07006	7.4
119.08582	91.0
121.06496	1.9
121.10157	7.8
123.08076	2.7
123.11724	2.0
125.06001	1.7
128.06267	1.4
129.07016	3.6
130.07652	1.5
131.08603	10.1
132.09221	1.3
133.10127	40.5
135.08078	1.3
135.11668	5.2
137.05971	1.3
139.07565	1.2
141.06950	1.8
142.07793	2.8
143.08597	6.0
144.09369	2.4
145.10124	27.3
146.10785	1.3
147.08046	1.9
147.11682	16.6
155.08537	5.1
156.09346	3.8
157.10121	15.7
158.10876	1.4
159.11684	24.1
160.12466	5.3
161.09657	2.2
161.13280	18.2
163.07544	1.6
165.09097	1.8
168.09348	1.9
169.10118	9.3
170.10915	4.7
171.11717	15.5
173.09651	3.1
173.13252	13.5
175.07555	1.1
175.11108	1.8
175.14815	2.3
179.08427	1.3
179.10669	2.3
181.10080	3.1
181.12170	2.0
183.11687	16.1
184.12425	1.6
185.09671	1.6
185.13255	8.7
186.13980	1.4
187.11224	6.1
187.14769	6.3
189.12666	1.4
189.16382	5.1
191.10692	2.3
193.09970	1.4
195.11632	2.0
196.12390	1.7
197.09633	1.7
197.13269	15.6
199.11221	3.6
199.14833	8.7
201.09169	1.3
201.12842	2.4
201.14674	1.3
201.16374	6.3
203.10699	1.7
205.12198	3.1
209.13263	3.4
210.14223	1.3
211.11166	4.7
211.14772	7.0
213.12671	1.9
213.16408	1.5
215.10626	2.5
215.14168	1.8
217.12184	1.9
219.13776	1.4
221.13242	1.3
223.14798	1.5
225.12726	3.8
225.16417	3.1
229.12192	6.4
231.13867	1.5
237.16306	1.8
239.14307	2.9
239.17981	7.0
243.13742	5.6
243.20966	1.5
253.15849	2.4
253.19485	19.8
255.21143	3.3
257.15353	4.3
257.19083	2.0
263.18015	3.2
271.16962	1.4
271.20563	2.0
281.19040	14.5
299.20065	100.0
300.20465	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	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.86349	1.0
53.03941	1.2
55.05507	6.1
57.07064	1.1
60.82882	1.0
65.03956	1.3
66.31390	1.1
67.05502	10.4
69.03427	1.3
69.07063	6.5
71.37900	1.8
79.05489	7.9
81.07056	16.4
83.04977	1.7
83.08611	1.9
85.06532	1.4
91.05473	13.3
93.07039	11.9
95.04945	1.6
95.08602	25.5
97.02977	1.0
97.86654	1.0
103.05460	1.3
103.72733	1.0
105.07029	30.8
106.14452	1.0
107.04902	1.4
107.08585	13.3
109.06501	2.9
109.10146	8.8
111.04418	7.0
115.05476	1.1
117.07025	7.9
117.07705	1.2
119.08578	74.7
121.06509	1.9
121.10152	8.4
123.08071	1.8
123.11665	2.0
125.06030	1.4
129.07004	3.5
130.07841	1.5
131.08572	10.4
133.06567	1.4
133.10129	33.6
135.11717	3.2
139.07498	1.4
141.06935	1.6
142.07779	3.5
143.08545	7.2
144.09329	1.4
145.10112	21.3
147.07999	1.4
147.11676	22.0
149.13239	1.4
151.07571	1.4
155.08559	5.7
156.09325	3.9
157.10133	14.0
158.10791	1.5
159.08064	1.3
159.11694	22.4
160.12453	2.0
161.09622	2.8
161.13289	12.0
165.09120	1.4
167.08499	1.9
168.09335	2.5
169.10107	9.3
170.10941	1.8
171.11682	11.1
173.09653	3.3
173.13258	10.6
175.14841	1.8
179.10689	2.1
181.10023	1.3
181.12161	1.3
182.10887	1.8
183.08141	2.1
183.11656	13.8
184.12445	1.6
185.09589	2.6
185.13269	7.7
187.11211	3.9
187.14871	5.6
189.16393	3.4
191.10661	2.1
195.11743	3.0
197.13248	16.0
199.11172	4.1
199.14757	7.5
201.09085	1.2
201.12784	3.2
201.16420	7.3
203.10704	1.5
205.12248	3.2
209.09152	1.7
209.13287	2.4
211.11179	3.9
211.14795	8.0
213.16316	2.0
215.10719	3.5
217.12247	3.4
221.13327	1.8
225.12839	4.0
225.16388	3.2
227.14362	1.2
227.18053	1.7
229.12254	8.1
231.13649	1.8
237.16425	4.8
239.14310	4.9
239.17921	9.4
243.13808	5.1
253.15811	1.6
253.19505	14.7
257.15381	6.4
263.17908	2.4
271.20676	2.5
281.19009	16.5
299.20047	100.0
300.20474	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	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03949	1.9
55.05519	9.2
56.96565	2.6
57.07064	1.4
65.03959	1.7
67.05505	12.0
69.07071	8.8
70.20203	6.4
76.15097	1.2
76.43268	1.3
79.05501	7.7
81.07063	18.3
83.04972	3.9
83.08609	2.6
91.05487	18.7
93.07054	14.7
95.04971	2.5
95.08044	2.6
95.08607	32.8
98.20786	1.8
105.07035	34.7
107.08595	18.9
109.06491	2.5
109.10172	11.1
111.04440	12.0
117.07012	9.1
119.08586	89.0
121.06499	1.8
121.10129	9.6
123.08060	3.3
123.11691	3.7
125.05990	2.6
129.07004	4.2
131.08577	13.9
133.06435	1.6
133.10139	46.0
135.08025	2.5
135.11671	4.6
137.05978	2.1
137.13225	1.5
139.07605	1.9
141.06929	1.7
142.07776	3.5
143.08586	8.0
144.09348	1.8
145.10132	30.6
145.11272	1.6
146.88280	1.4
147.04384	1.7
147.11707	16.1
149.13263	2.1
151.07553	2.2
155.08559	9.3
156.09317	7.2
157.10114	14.6
159.11694	27.3
160.12489	4.4
161.09586	2.4
161.13271	19.3
168.09311	1.7
169.10153	9.3
170.10878	2.1
171.11670	11.9
173.09612	2.6
173.13263	10.2
175.02798	3.3
179.10756	2.6
181.12186	2.0
182.10910	3.3
183.08191	1.7
183.11720	14.2
184.12517	2.6
185.09637	2.1
185.13245	9.3
187.11218	3.8
187.14861	5.6
189.16359	3.8
191.10670	3.7
195.11746	3.0
196.12431	1.9
197.09625	1.7
197.13290	14.4
199.11171	2.7
199.14807	7.4
201.16411	7.2
203.10677	1.6
205.12193	2.7
207.11766	2.5
209.13251	2.7
211.11209	5.0
211.14857	5.7
213.12743	1.6
213.16408	2.5
215.10666	3.4
217.12326	3.2
219.13873	1.8
221.13327	2.1
223.14755	1.8
225.12851	3.6
225.16388	3.2
229.12265	7.2
237.16319	2.6
239.14418	1.9
239.17953	7.4
243.13876	4.6
253.19484	20.1
255.21046	2.4
257.15445	4.4
263.17908	3.0
271.20685	3.2
281.19034	15.1
299.20068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
52.44198	1.2
53.80941	1.1
54.20275	1.1
55.01857	1.5
55.05500	6.7
57.07066	3.6
65.03934	1.4
67.05508	13.0
69.03409	1.9
69.07068	8.0
69.77715	3.6
69.78120	3.0
71.04984	3.5
79.05488	10.2
81.03417	1.6
81.07059	23.9
83.04985	2.5
83.08628	5.8
85.06528	1.4
91.05486	14.5
93.07050	16.0
93.31005	1.1
95.04945	2.8
95.08612	29.7
97.02883	3.0
97.06509	1.7
97.10191	1.5
98.20752	2.2
98.97550	1.1
103.05450	1.3
105.07041	22.0
107.04966	1.4
107.08602	17.0
109.06507	3.9
109.10165	16.5
111.04440	5.7
111.08061	1.4
115.05428	1.3
117.07017	4.6
119.08588	82.5
121.06488	2.2
121.10159	10.9
123.08095	2.3
123.11724	3.1
125.06001	1.4
127.07515	1.2
128.06261	1.4
129.07034	4.2
130.07776	1.9
131.08588	9.9
133.10141	29.9
135.08080	2.0
135.11690	7.0
137.05994	2.8
141.06963	1.7
142.07771	2.8
143.08549	7.8
144.09315	3.3
145.10135	22.4
147.04411	1.8
147.08031	1.6
147.11697	13.2
149.09703	1.6
149.13249	2.7
151.07571	2.1
151.11220	1.4
153.06918	1.3
154.07813	1.3
155.08543	6.2
156.09355	3.6
157.10144	14.7
158.10768	1.2
159.11697	21.7
161.05927	1.8
161.09618	3.0
161.13326	7.2
163.11220	1.3
165.09122	1.3
167.08585	2.2
168.09341	1.4
169.10120	12.0
170.10924	3.7
171.11711	16.3
173.09634	3.9
173.13266	12.2
175.11174	1.9
175.14764	1.5
177.05428	1.4
177.09129	1.6
179.08606	1.9
179.10756	2.2
181.10127	1.7
181.12268	1.2
182.10907	1.9
183.11725	15.7
184.12444	1.7
185.13248	11.3
186.14127	2.7
187.07616	1.5
187.11269	3.8
187.14803	8.3
189.09108	1.8
189.12694	2.1
189.16411	2.7
191.10713	2.4
195.11732	3.0
196.12469	1.9
197.09589	2.0
197.13286	18.2
199.11180	2.2
199.14868	8.5
201.09186	1.4
201.12811	2.2
201.16422	4.9
202.42374	1.3
203.10654	1.8
203.17957	2.1
205.12291	2.9
207.11789	1.7
209.13239	2.9
210.14087	1.6
211.11269	3.1
211.14894	7.4
213.16385	2.7
215.10640	2.1
215.18094	1.3
217.12323	2.2
221.13246	1.8
223.14900	2.1
224.15610	2.2
225.12801	4.5
225.16426	3.4
227.18018	2.0
229.12253	5.0
231.13799	2.0
237.16347	4.4
239.14404	2.8
239.17970	11.8
243.13799	5.4
253.08388	1.2
253.19516	21.1
255.21086	1.9
257.15344	3.4
263.17883	2.1
267.10199	2.4
271.09784	1.4
271.17160	1.3
271.20517	2.7
281.18970	13.1
281.21646	1.3
284.06839	1.2
285.07605	2.1
299.05902	1.8
299.09271	3.7
299.12866	5.5
299.20081	100.0
300.09781	3.1
300.20349	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.63020	1.2
55.05525	7.7
57.07067	1.7
65.03932	2.2
67.05508	13.9
69.07077	8.9
69.67017	10.0
69.84724	1.2
77.94060	1.1
77.95950	1.2
79.05499	10.8
81.06627	2.1
81.07057	17.9
83.04978	2.8
83.08614	5.4
91.05489	17.2
93.07057	16.0
95.02999	1.3
95.04980	3.1
95.08610	33.0
105.07034	33.9
107.08587	13.0
109.10164	9.9
111.04431	10.4
117.07021	7.9
119.08591	91.1
121.06533	3.1
121.10146	11.7
123.08094	2.3
123.11720	2.1
125.05992	1.9
128.29843	1.4
129.07018	3.2
131.08571	11.1
133.09113	2.7
133.10132	46.8
135.08023	2.2
135.11673	4.8
139.07526	1.5
142.07796	4.2
143.08594	6.6
144.09323	4.2
145.10127	27.2
147.07957	1.5
147.11705	19.9
151.07639	1.4
155.08574	6.0
156.09320	4.0
157.10135	14.5
158.10927	2.0
159.11693	27.3
160.12442	5.7
161.09630	2.8
161.13260	18.1
163.07547	1.7
168.09311	2.3
169.10117	10.5
170.10934	3.3
171.11668	14.5
173.09641	2.5
173.13278	12.1
175.11246	1.6
175.14766	3.4
179.10652	4.0
181.10091	2.4
182.10849	1.7
183.11728	12.0
185.09627	2.6
185.13249	9.6
187.11235	4.3
187.14812	4.1
188.15497	2.0
189.16405	2.8
191.10667	2.1
195.11743	2.8
196.12619	1.7
197.09497	1.8
197.13298	15.5
199.11261	5.5
199.14850	7.2
201.09094	2.0
201.12811	3.7
201.16466	7.7
205.12172	1.8
211.11189	2.1
211.14836	6.2
213.12808	2.0
213.16293	2.1
215.10579	4.4
217.12263	3.2
221.13266	1.7
225.12813	2.9
225.16438	4.1
227.17671	1.7
229.12238	5.8
237.16418	2.4
239.14275	5.1
239.18015	7.6
243.13814	4.8
253.19537	15.8
255.21146	3.0
257.15436	2.7
263.17993	4.5
271.20694	2.3
281.18961	17.4
299.20071	100.0
300.20352	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05502	7.8
57.03426	1.4
57.07079	1.6
62.54233	0.8
65.03926	1.1
67.05508	10.6
69.07064	7.2
71.20853	2.4
76.85281	0.8
79.05489	7.1
81.07051	13.2
83.04965	2.0
83.08604	2.8
85.18195	0.8
91.05479	11.9
93.07038	12.7
95.04959	2.0
95.08601	27.8
97.10149	1.3
103.05470	1.2
105.07028	24.1
107.04942	1.8
107.08590	14.5
109.06568	1.6
109.10150	10.3
111.04453	8.3
117.07021	6.5
119.08577	67.0
121.06485	2.0
121.10127	7.1
123.08110	1.9
123.11716	2.4
125.05984	1.3
128.06235	2.5
129.07007	3.3
131.08563	10.8
133.06439	1.1
133.10121	28.8
135.08060	2.2
135.11684	5.1
137.06006	1.5
137.09631	1.2
139.07513	1.2
139.18784	0.9
141.07002	3.3
142.07768	3.5
143.08563	7.6
144.09355	1.3
145.06432	1.5
145.10109	19.1
147.04430	1.3
147.08057	2.5
147.11688	16.8
149.09700	0.9
149.13232	1.7
151.07518	1.3
153.09166	1.6
154.07784	1.3
155.08528	6.5
156.09319	4.1
157.10098	13.4
158.10942	1.6
159.08057	2.2
159.11681	18.6
160.12445	3.4
161.09567	2.5
161.13258	10.9
163.11275	1.1
165.09079	1.3
167.08522	1.4
168.09329	2.5
169.10110	11.6
170.10895	2.7
171.08047	1.4
171.11678	11.2
172.12399	1.3
173.09619	3.1
173.13260	9.3
175.14795	1.2
177.09148	2.0
179.08527	1.8
179.10669	1.4
181.10091	2.9
182.10922	2.2
183.08066	2.0
183.11652	13.5
185.09694	2.4
185.13275	7.1
187.07558	1.4
187.11143	4.5
187.14815	6.0
189.09134	1.4
189.16371	2.6
191.10657	3.0
193.10098	1.7
195.11671	4.9
196.12451	2.3
197.09618	3.3
197.13254	15.5
199.11229	3.2
199.14774	7.5
201.09102	2.3
201.12788	1.8
201.16344	3.7
203.10661	2.2
205.12195	4.8
209.13373	2.1
211.11154	5.8
211.14807	8.6
213.12769	2.6
213.16373	1.9
215.10674	3.5
217.12283	3.8
221.13271	3.1
223.14772	1.5
225.12775	5.2
225.16455	3.4
227.17775	1.4
229.12196	6.9
229.15955	0.9
237.16447	2.0
239.14333	5.7
239.17935	7.5
243.13762	6.0
243.21303	1.3
253.15828	7.0
253.19519	14.7
255.20984	1.6
257.15399	4.0
257.18860	1.0
263.17987	2.8
271.20554	2.7
281.18979	21.1
299.20047	100.0
300.20465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01874	6.9
55.05510	16.8
55.24793	1.9
57.03434	7.6
57.07067	6.2
61.02917	6.5
65.03915	2.1
67.05503	26.5
69.03442	13.4
69.07070	30.8
70.06570	1.8
71.01350	3.7
71.04986	6.4
73.02914	7.9
79.05486	17.0
81.03422	11.2
81.06578	4.1
81.07059	77.3
83.04957	10.1
83.08616	11.3
85.02905	21.8
85.06538	8.5
91.05481	23.8
93.07048	48.1
95.04950	11.4
95.08607	60.3
95.09053	1.4
97.02908	10.4
97.06530	10.8
97.10170	5.2
99.04454	5.1
99.08090	5.2
101.02390	2.0
103.03930	12.4
105.07032	47.3
107.04971	4.4
107.08591	47.8
109.02872	3.0
109.06514	12.1
109.10162	32.5
111.04450	14.1
111.08076	11.0
111.11716	3.5
113.05976	2.0
115.03927	7.8
117.07014	10.6
119.04957	2.5
119.08580	100.0
121.06497	8.4
121.10144	28.6
123.08074	10.7
123.11719	19.5
125.06013	3.5
125.09627	3.4
125.77474	1.8
127.03909	5.2
128.06232	3.6
129.05478	5.1
129.06996	6.6
130.07793	2.7
131.08566	22.2
133.04988	3.7
133.06502	2.2
133.10141	38.3
135.08067	8.4
135.11699	27.7
137.05972	4.0
137.09618	5.9
137.13257	18.9
139.07573	3.9
139.11159	2.3
141.09099	1.7
142.07808	4.5
143.08560	16.0
144.09286	2.3
145.04985	4.7
145.06468	2.2
145.10112	27.7
147.04391	3.7
147.08060	7.5
147.11678	32.1
149.09596	6.1
149.13255	14.7
151.07547	4.2
151.11191	3.6
151.14700	1.9
153.05441	2.1
153.09103	3.7
153.12733	33.1
153.19868	1.9
155.08578	6.9
156.09325	7.1
157.10130	18.1
159.08070	5.0
159.11688	33.0
161.09616	8.1
161.13229	16.7
163.07549	2.5
163.11244	4.5
163.14769	5.4
165.09096	5.4
165.12746	14.3
167.08537	3.1
167.14322	9.4
169.10114	9.1
170.10939	5.1
171.08092	2.2
171.11705	16.6
173.09584	6.3
173.13255	16.2
175.11151	3.6
175.14825	5.0
177.09129	3.9
177.12720	11.0
179.10698	2.1
179.14285	11.7
181.12250	4.2
182.10901	4.5
183.11702	19.0
185.09651	4.6
185.13266	17.1
187.11240	4.3
187.14835	7.9
189.09099	3.2
189.12764	6.3
191.10704	3.9
191.14308	13.6
193.15976	2.8
195.11819	2.9
195.13818	3.1
197.09618	2.6
197.13286	16.0
199.14818	8.3
201.12787	6.1
201.16289	5.2
203.10782	2.6
203.14354	9.7
207.10172	3.8
207.13853	5.8
209.13287	4.7
209.15399	9.6
211.11198	3.5
211.14864	6.7
215.10692	3.5
215.14311	5.5
217.12280	2.8
217.15915	2.8
219.13818	5.4
221.15358	11.2
225.16449	3.6
227.14308	4.6
229.12262	2.8
233.15230	4.3
235.17035	2.1
239.14325	2.7
239.17928	5.9
243.13844	5.6
245.15393	15.8
251.16321	3.7
253.19547	20.6
257.15366	1.8
263.16342	31.8
281.17200	47.0
299.05640	2.8
299.20367	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01874	6.9
55.05510	16.8
55.24793	1.9
57.03434	7.6
57.07067	6.2
61.02917	6.5
65.03915	2.1
67.05503	26.5
69.03442	13.4
69.07070	30.8
70.06570	1.8
71.01350	3.7
71.04986	6.4
73.02914	7.9
79.05486	17.0
81.03422	11.2
81.06578	4.1
81.07059	77.3
83.04957	10.1
83.08616	11.3
85.02905	21.8
85.06538	8.5
91.05481	23.8
93.07048	48.1
95.04950	11.4
95.08607	60.3
95.09053	1.4
97.02908	10.4
97.06530	10.8
97.10170	5.2
99.04454	5.1
99.08090	5.2
101.02390	2.0
103.03930	12.4
105.07032	47.3
107.04971	4.4
107.08591	47.8
109.02872	3.0
109.06514	12.1
109.10162	32.5
111.04450	14.1
111.08076	11.0
111.11716	3.5
113.05976	2.0
115.03927	7.8
117.07014	10.6
119.04957	2.5
119.08580	100.0
121.06497	8.4
121.10144	28.6
123.08074	10.7
123.11719	19.5
125.06013	3.5
125.09627	3.4
125.77474	1.8
127.03909	5.2
128.06232	3.6
129.05478	5.1
129.06996	6.6
130.07793	2.7
131.08566	22.2
133.04988	3.7
133.06502	2.2
133.10141	38.3
135.08067	8.4
135.11699	27.7
137.05972	4.0
137.09618	5.9
137.13257	18.9
139.07573	3.9
139.11159	2.3
141.09099	1.7
142.07808	4.5
143.08560	16.0
144.09286	2.3
145.04985	4.7
145.06468	2.2
145.10112	27.7
147.04391	3.7
147.08060	7.5
147.11678	32.1
149.09596	6.1
149.13255	14.7
151.07547	4.2
151.11191	3.6
151.14700	1.9
153.05441	2.1
153.09103	3.7
153.12733	33.1
153.19868	1.9
155.08578	6.9
156.09325	7.1
157.10130	18.1
159.08070	5.0
159.11688	33.0
161.09616	8.1
161.13229	16.7
163.07549	2.5
163.11244	4.5
163.14769	5.4
165.09096	5.4
165.12746	14.3
167.08537	3.1
167.14322	9.4
169.10114	9.1
170.10939	5.1
171.08092	2.2
171.11705	16.6
173.09584	6.3
173.13255	16.2
175.11151	3.6
175.14825	5.0
177.09129	3.9
177.12720	11.0
179.10698	2.1
179.14285	11.7
181.12250	4.2
182.10901	4.5
183.11702	19.0
185.09651	4.6
185.13266	17.1
187.11240	4.3
187.14835	7.9
189.09099	3.2
189.12764	6.3
191.10704	3.9
191.14308	13.6
193.15976	2.8
195.11819	2.9
195.13818	3.1
197.09618	2.6
197.13286	16.0
199.14818	8.3
201.12787	6.1
201.16289	5.2
203.10782	2.6
203.14354	9.7
207.10172	3.8
207.13853	5.8
209.13287	4.7
209.15399	9.6
211.11198	3.5
211.14864	6.7
215.10692	3.5
215.14311	5.5
217.12280	2.8
217.15915	2.8
219.13818	5.4
221.15358	11.2
225.16449	3.6
227.14308	4.6
229.12262	2.8
233.15230	4.3
235.17035	2.1
239.14325	2.7
239.17928	5.9
243.13844	5.6
245.15393	15.8
251.16321	3.7
253.19547	20.6
257.15366	1.8
263.16342	31.8
281.17200	47.0
299.05640	2.8
299.20367	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01870	2.1
55.05512	5.9
55.71975	0.7
56.96561	1.7
57.03428	2.4
57.07070	1.0
59.04976	0.8
63.02383	0.6
67.05507	6.2
69.03431	2.1
69.07079	4.9
71.04984	1.4
71.60877	1.1
79.05496	5.1
81.03416	1.3
81.07056	8.4
83.04974	1.1
83.08633	4.5
84.04504	1.1
85.02901	2.8
85.06544	1.6
86.09728	1.7
87.04471	1.1
91.05476	9.0
93.07033	7.4
95.04971	2.1
95.08617	8.5
97.02899	6.0
97.06533	1.3
97.10154	0.9
98.97572	1.8
99.00825	1.8
99.04427	1.1
100.11253	3.2
101.46114	0.7
103.05478	1.7
105.07037	8.6
107.04943	1.9
107.08578	5.5
107.09183	0.7
109.02863	1.2
109.06504	2.5
109.10182	4.7
109.10820	1.1
111.04427	2.6
111.08105	1.2
115.03962	0.9
115.05430	1.1
116.98640	1.7
117.07011	2.2
119.04965	1.6
119.08583	22.6
121.06520	2.8
121.10144	3.1
123.07971	1.0
123.11710	1.0
125.06036	0.8
127.03925	1.7
128.06223	1.0
129.06990	1.7
131.08560	3.4
133.06456	1.0
133.10133	11.9
135.08037	1.4
135.11714	2.3
136.07597	1.4
137.05765	9.9
137.07921	1.8
137.09613	1.3
139.07590	0.7
142.07790	1.8
143.08568	3.1
144.09276	0.7
145.10115	7.4
145.13464	0.9
147.04410	2.5
147.07973	1.2
147.11696	5.3
149.13321	0.9
151.11278	1.0
154.12303	1.6
155.08571	1.9
156.09352	1.4
157.10133	4.6
159.11679	5.4
161.09634	3.2
161.13257	4.3
165.00633	0.8
166.08714	0.9
168.09305	1.0
169.10161	2.5
171.08119	1.0
171.11717	3.8
173.09668	1.3
173.13243	2.7
175.07568	1.5
175.14844	0.8
177.00743	1.6
177.05612	0.8
177.09142	0.9
178.08366	0.7
179.10664	1.7
183.11652	4.4
185.04225	45.0
185.13289	2.1
187.11218	1.4
187.14867	1.1
189.09109	1.7
189.12778	0.9
191.10666	1.6
197.13309	2.4
199.11171	0.8
199.14845	3.2
201.09174	1.0
201.16341	2.0
205.12328	0.7
207.10023	0.9
209.02834	1.3
209.13512	0.9
209.80902	0.7
211.11272	1.5
211.14896	2.8
213.12833	0.8
215.10724	1.0
217.12251	1.0
225.11151	1.8
227.14461	0.9
229.12282	2.0
237.16328	1.2
239.14249	1.4
239.17996	2.1
243.13953	1.2
253.15816	0.9
253.19514	5.1
257.15396	1.0
262.69989	0.8
263.18082	0.8
271.09628	0.8
272.56830	0.7
279.10013	1.1
281.18994	6.2
299.05664	2.4
299.11047	100.0
299.14801	4.5
299.20023	28.1
300.11395	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	298.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	20.1
56.29858	1.2
56.96565	3.1
57.03438	7.5
57.07059	1.2
59.04988	3.8
61.02933	1.9
61.10181	1.1
63.69733	1.3
68.74994	1.3
69.03416	3.7
69.07059	1.8
70.06615	2.7
71.57345	1.3
71.68077	1.2
73.06547	10.5
78.12312	1.5
79.05473	1.5
81.07058	2.4
83.04950	6.5
84.08124	2.1
85.02906	11.8
87.04434	2.3
87.32941	1.3
91.05478	3.4
93.07019	1.5
94.58757	1.2
95.08595	2.7
97.02876	3.5
98.97642	1.5
101.06016	100.0
102.06325	1.2
105.07076	2.1
105.26083	1.3
107.08582	3.3
109.06557	1.6
109.10091	1.8
116.98605	2.6
119.07062	44.5
119.08443	6.6
121.10110	1.5
127.03939	3.9
131.08598	2.1
133.10129	1.8
134.99678	1.7
135.11664	1.8
136.06181	18.0
136.07259	1.7
136.07600	1.1
145.04973	1.5
145.10181	1.7
146.19374	1.3
147.04407	4.3
147.11606	1.2
152.05688	1.6
160.36978	1.3
173.13171	1.3
183.11723	1.5
274.97418	1.5
281.18912	1.7
298.18530	1.3
299.06128	3.1
299.20056	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	298.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
53.92936	0.5
55.01857	1.0
55.05506	0.6
56.96549	0.8
57.03418	2.3
58.02702	0.6
58.02964	7.6
59.42333	0.5
61.02919	3.2
67.05509	0.6
69.03133	0.6
69.03433	7.4
69.85293	2.9
71.04992	1.5
73.02906	1.2
79.05476	1.1
81.03396	2.8
85.02902	41.6
86.09694	1.0
87.04477	0.7
91.03945	1.2
91.05466	5.2
93.07047	0.6
95.08569	0.8
97.02895	9.0
99.04475	1.6
105.07022	1.0
109.02861	4.8
117.03449	0.8
118.06535	3.7
119.07325	14.3
119.08602	0.8
127.03912	7.2
135.04408	1.6
136.07574	100.0
137.07860	1.2
145.04915	4.4
163.03918	6.6
170.27484	0.5
237.00777	1.2
255.01817	1.2
273.02847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
58.48939	0.1
61.01153	4.8
66.20413	0.1
67.80819	0.1
69.03436	0.5
71.15334	0.3
75.02705	2.6
94.04061	0.3
97.02891	1.2
103.02161	0.4
118.54516	0.1
119.03535	0.6
136.06189	100.0
137.04611	0.3
137.06638	1.3
145.03206	1.4
163.04231	1.3
281.19458	0.1
298.09689	5.8
299.09995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	16.6
71.58051	13.3
74.04073	7.9
77.57112	8.5
98.97586	64.6
108.21513	9.6
108.32482	8.1
116.98628	86.0
134.99657	59.4
209.40942	8.4
219.01979	47.4
256.96671	13.8
274.88806	18.1
274.97473	90.4
292.98517	100.0
297.98941	11.1
298.97751	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	298.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.05499	5.0
56.96557	2.8
57.03425	2.8
57.07076	1.7
57.64315	1.1
59.04973	2.6
61.02916	3.0
67.05500	3.7
69.03423	9.1
69.07069	6.0
70.06575	1.6
71.05000	8.4
71.58787	2.1
72.08160	1.3
73.02936	1.4
73.06534	3.1
79.05507	2.7
81.03401	3.9
81.07063	13.1
83.04980	2.6
85.02908	20.8
87.04453	3.6
91.03950	2.5
91.05470	1.9
93.07049	8.1
95.04970	1.2
95.08611	3.2
97.02901	8.5
97.06516	2.0
99.04447	1.9
101.06013	20.6
107.08604	7.3
108.41192	1.2
109.02860	3.4
109.10152	3.7
116.98604	2.1
119.07063	8.5
123.11684	2.2
124.04028	1.5
127.03922	100.0
128.04262	4.4
132.08128	1.3
134.99622	1.4
135.11700	10.3
136.06207	10.9
136.93127	2.7
145.04947	6.2
147.04454	1.8
152.05658	3.6
153.12730	7.0
154.94139	11.0
158.57756	1.2
163.72563	1.2
164.98625	2.4
166.07254	2.0
172.95229	39.8
182.99657	11.0
187.99063	1.0
190.96281	29.8
193.07985	1.2
194.09178	1.1
200.95819	1.2
201.00716	42.8
202.01019	2.4
211.54900	1.1
213.01173	2.6
214.96257	2.5
219.01773	15.2
224.02281	2.4
226.05788	1.3
232.97342	1.5
249.08783	1.8
250.96155	1.4
255.96472	1.0
271.49847	1.2
280.97284	7.1
289.07529	6.1
298.14145	1.8
298.98398	9.4
300.06226	2.0
307.06158	26.7
308.06467	2.3
316.99576	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	297.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49855	1.7
53.03947	2.0
55.05515	22.2
56.81634	1.6
57.03440	3.7
57.07078	51.6
59.04985	6.5
61.35624	1.6
67.05505	27.3
69.03431	5.1
69.07072	80.1
71.04978	4.4
71.08635	58.4
71.10372	1.3
71.59592	3.0
74.71967	1.7
79.05493	14.0
81.03435	3.5
81.07060	96.9
83.04978	2.7
83.08627	29.5
85.02907	3.5
85.06536	3.6
85.10173	4.6
86.01415	1.6
91.05476	7.5
93.07050	34.0
95.04951	5.0
95.08610	100.0
96.08911	2.2
97.02894	5.4
97.06522	6.5
97.10152	8.1
98.97620	3.5
105.07024	6.6
107.04984	2.8
107.08595	35.7
109.06515	3.2
109.09459	3.0
109.10156	41.4
111.04435	2.4
111.08100	2.9
111.11749	10.8
113.13284	4.3
116.98618	2.9
119.04969	1.7
119.08578	5.1
121.06495	2.9
121.10139	19.4
123.08077	2.3
123.11709	54.0
125.13263	4.5
129.06993	2.0
131.08534	4.4
133.10056	2.9
135.11697	26.6
137.05992	1.7
137.13255	22.8
141.12770	2.2
143.08562	2.1
145.10103	4.0
147.04402	5.5
147.11676	1.9
149.13264	19.9
151.14890	4.6
153.12769	13.8
155.14310	4.7
157.10178	1.7
159.11664	2.4
163.14832	6.5
165.16341	2.1
167.08658	1.6
167.14474	1.8
169.15904	4.2
171.11765	3.0
171.13814	3.9
177.16383	4.8
181.10165	2.7
183.11667	3.0
183.17401	4.8
191.17999	3.9
205.19566	6.0
225.16409	1.8
237.09073	3.0
241.56305	1.8
261.25784	20.5
265.08569	3.1
276.11072	3.0
279.23642	2.7
279.26840	19.4
285.11768	1.8
297.07898	2.1
297.11169	5.6
297.18658	9.2
297.27838	3.2
299.06171	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.19868	1.2
53.03938	2.5
54.28065	1.2
55.05515	100.0
56.05838	1.3
57.07043	1.4
60.18803	1.4
64.84534	1.3
67.05507	9.1
69.07076	7.3
70.91776	2.8
71.04997	2.2
73.32216	1.2
79.05505	4.0
81.07070	23.9
83.08624	79.3
85.06555	4.3
87.67059	1.2
91.05479	4.6
93.07048	6.3
95.08611	32.1
97.06548	5.4
97.10143	2.3
99.08097	3.7
105.07056	5.6
107.08618	5.3
109.06525	1.3
109.10155	2.6
119.08577	14.2
121.10156	4.1
123.11736	2.0
131.08589	1.6
133.10158	8.4
135.11707	5.6
135.40530	1.6
137.13278	4.5
150.54100	1.4
157.10234	1.4
159.11804	1.5
161.13268	30.8
179.14322	26.8
197.13519	1.7
197.15364	15.6
202.60063	1.2
215.16382	3.2
279.23248	1.7
297.18488	3.8
310.34869	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.69464	1.8
53.03950	2.2
55.01856	6.3
55.05510	57.7
57.03415	7.1
57.07075	12.5
67.05503	67.1
69.03415	5.2
69.06722	3.4
69.07067	47.1
70.54293	3.0
70.54697	5.6
71.01357	2.6
71.04989	5.7
71.08648	10.0
71.08957	1.8
77.53925	2.3
79.05495	31.8
81.07055	75.1
83.04960	7.3
83.08614	34.3
85.06533	6.2
91.05463	8.2
93.07029	28.0
95.08607	62.4
97.06516	9.2
97.10160	46.1
99.08074	4.3
105.07017	7.9
107.08588	28.0
109.06482	2.7
109.10155	46.8
111.08080	4.7
111.11714	5.2
113.05984	2.4
113.09659	2.7
113.96516	2.2
117.06992	5.2
119.08558	6.8
121.10159	13.2
123.11705	15.2
125.09621	28.6
131.08531	4.5
133.10109	5.3
135.08028	6.0
135.11685	29.6
137.13242	11.4
139.11163	2.1
145.10121	4.8
147.11674	5.0
149.13254	8.0
151.14842	4.9
153.09077	3.2
153.12724	9.3
155.10657	2.2
159.11711	7.2
161.13245	5.4
162.94589	2.0
163.11159	3.9
163.14775	5.0
165.12747	5.5
169.15932	6.6
173.11748	5.0
173.13252	6.7
175.14830	2.5
181.12236	3.1
183.13795	53.1
184.14058	2.3
187.13333	2.1
187.14894	4.0
189.11212	23.0
195.13773	3.4
219.21059	3.1
223.16843	3.8
233.22722	2.9
243.21088	10.2
251.23668	12.8
261.22162	32.6
262.22559	2.5
279.23178	100.0
280.23502	6.3
286.19751	1.9
297.18494	3.7
297.24136	17.0
314.77954	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	9-Hode
Peak:m/z	Relative Intensity
53.03933	2.1
55.01863	3.1
55.05507	25.0
57.03422	4.0
57.07069	3.3
58.05125	0.8
59.04989	1.6
65.03929	1.4
67.05500	63.8
69.03416	2.2
69.07062	31.9
70.20164	3.6
71.04980	6.4
73.06557	1.3
79.05486	27.6
81.07053	86.3
83.04971	8.1
83.08614	14.5
84.17500	0.9
85.02899	1.1
85.06531	6.4
91.05476	10.8
93.07038	31.9
95.04958	2.6
95.08598	74.4
96.08936	1.6
97.06519	8.9
97.10166	12.3
98.21424	1.0
99.08080	2.6
105.07015	8.2
107.08584	19.1
109.06534	2.0
109.10150	38.0
110.10501	1.2
111.04412	1.6
111.08091	3.7
111.11727	2.3
113.09641	1.0
116.52264	1.0
117.07027	3.6
119.08575	9.5
121.06468	1.6
121.10130	19.9
123.08057	1.9
123.11690	19.0
123.42411	1.0
125.09634	3.4
126.05553	1.3
128.06160	1.1
129.06972	2.2
131.08565	16.4
133.10114	8.2
135.08041	2.5
135.11678	14.9
137.09596	2.8
137.13219	7.4
139.11157	2.9
142.07747	2.4
143.08569	3.6
144.09395	1.0
145.10120	6.9
147.11690	9.3
149.09622	1.4
149.13266	6.0
151.11143	1.7
151.14825	3.8
153.09074	1.4
153.12756	2.0
155.08516	1.0
155.10692	1.2
157.10095	3.2
159.11696	6.0
161.13275	6.7
163.14803	2.9
165.12738	2.7
165.16338	1.3
167.08499	1.4
169.10091	2.3
171.11676	3.4
173.11937	1.2
173.13278	4.7
175.14810	2.6
177.12788	1.8
177.16322	2.2
179.08582	1.8
179.14284	3.5
181.10086	4.7
181.12219	1.5
183.11676	1.1
185.13263	3.5
186.14003	1.0
187.14841	3.4
191.14270	2.1
193.16006	1.3
195.11697	3.7
195.13823	1.6
197.13268	1.7
201.16345	2.1
203.12598	1.0
205.15887	1.2
207.11671	1.1
209.09676	1.0
209.13272	2.7
209.15334	1.6
211.14705	1.1
223.11247	1.1
223.14894	2.1
223.16968	3.5
233.22760	1.2
237.12733	1.6
237.16394	1.2
237.18570	1.4
243.21022	10.0
251.17963	3.0
251.23767	1.2
253.19353	1.2
261.16370	4.6
261.22110	26.8
274.55026	1.0
279.17877	9.8
279.23163	100.0
280.23514	3.5
297.18530	16.2
297.24130	14.9
298.18988	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1849
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.03954	0.7
55.01859	1.0
55.05510	3.8
56.96530	0.5
57.07073	2.8
59.04998	0.5
62.23142	0.4
64.87259	0.4
65.03938	0.5
67.05507	7.1
69.03443	2.6
69.06759	0.5
69.07066	4.4
69.86971	2.8
76.41759	0.4
79.05491	3.8
81.03412	0.8
81.07056	6.2
83.04982	5.8
83.08611	1.6
84.04503	0.8
85.02920	0.4
85.06515	0.5
91.05473	6.3
93.07045	6.5
95.04962	2.1
95.08607	15.9
97.02890	0.9
97.06509	1.5
97.10162	1.1
99.04481	0.7
99.08079	1.7
103.05531	0.5
105.04543	0.5
105.07037	8.8
107.04935	1.9
107.08594	9.7
107.81422	0.4
109.06501	2.0
109.10151	3.2
111.04459	2.3
111.08070	1.1
115.05412	1.1
117.07010	3.1
119.08582	14.9
121.06501	2.8
121.10136	2.1
123.08057	3.1
123.11687	0.5
125.09615	0.7
128.06215	1.7
129.07018	3.0
130.07791	0.5
131.08560	6.4
133.06500	2.4
133.10132	6.9
135.08058	1.5
135.11746	1.2
137.09558	0.9
139.07552	1.4
141.06970	1.6
142.07773	4.5
143.08553	10.3
144.09392	2.3
145.06477	1.4
145.10123	10.9
147.08005	2.4
147.11674	1.8
149.09650	1.3
151.07561	0.6
153.07007	1.1
154.07774	1.2
155.08531	4.2
156.09337	3.1
157.06516	0.8
157.10127	17.8
158.07210	0.5
158.10892	2.2
159.08078	2.3
159.11693	13.0
161.09647	2.6
161.13330	0.5
163.11174	1.0
165.06956	2.8
165.09180	0.5
166.07793	0.9
167.08551	3.9
168.09351	1.3
169.10120	7.7
170.10933	2.9
171.08072	2.4
171.11681	11.0
173.09631	3.0
173.13208	2.5
175.07564	0.5
175.11192	0.9
177.09215	0.6
179.08522	2.9
180.07964	0.7
180.09344	3.4
181.10120	8.2
182.10870	1.7
183.08060	1.4
183.11703	6.2
184.12451	2.3
185.09619	9.6
185.13226	5.4
186.13985	1.3
187.07474	0.5
187.11214	2.9
187.14859	1.1
189.09131	1.3
189.12807	1.1
191.10623	0.8
192.09317	0.7
193.10135	4.1
194.10887	3.2
195.08136	0.8
195.11702	14.5
196.08762	0.6
196.12523	2.4
197.09650	3.1
197.13251	5.4
198.10378	0.7
199.07541	0.9
199.11182	4.3
199.14832	11.7
199.16609	0.9
200.15549	1.0
201.09132	1.4
201.12743	1.5
203.10674	1.8
204.09276	0.5
205.10167	1.0
206.10861	0.7
207.11707	4.3
208.08775	1.2
208.12509	3.0
209.09785	3.2
209.13240	11.8
210.10312	0.6
210.13925	1.3
211.11226	1.8
211.14812	4.7
212.12039	0.5
213.09135	2.0
213.12711	3.4
213.16362	0.9
215.10727	2.8
215.14279	0.5
219.11703	2.1
220.12480	1.5
221.09650	0.8
221.13293	2.6
222.10439	1.2
222.13969	3.3
223.07861	0.5
223.11191	8.3
223.14685	3.5
224.11880	0.7
225.12744	1.4
225.16278	2.4
227.10716	3.8
227.14268	2.4
227.18007	1.5
229.12228	1.1
231.11688	1.2
232.12218	0.6
233.13519	0.5
235.11230	1.6
235.14882	3.5
236.11952	1.6
236.15518	1.4
237.09067	0.6
237.12766	7.9
237.16386	12.3
238.16876	0.9
239.14325	0.9
241.12233	7.7
241.15907	1.0
241.19434	1.0
246.14026	2.4
249.12701	1.0
250.13609	1.1
251.10342	0.5
251.14308	1.1
251.17975	13.1
252.18454	0.6
253.15878	2.9
253.19504	1.9
255.13770	7.3
255.17441	4.7
256.14044	0.5
261.16440	4.5
264.15198	1.1
269.15881	0.6
269.18991	12.2
279.17450	23.1
279.23138	0.9
280.17816	1.0
297.18503	100.0
298.12869	1.0
298.18765	5.3
315.19522	0.7
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	MF-EA 705beta
Peak:m/z	Relative Intensity
53.80114	0.4
55.01858	0.8
55.05509	2.8
56.55731	0.3
57.07067	1.3
59.04987	0.4
65.03947	0.8
67.05499	4.8
69.03426	0.5
69.07064	6.5
70.96077	0.6
70.96396	0.5
71.04989	0.4
73.02881	0.5
79.05487	3.4
81.07059	5.5
83.04964	1.2
83.08626	2.1
85.06540	0.7
91.05479	14.8
93.07051	5.4
95.04952	0.8
95.08596	4.7
97.02867	0.8
97.06508	0.6
103.05476	0.6
105.07015	5.4
106.19328	0.4
107.04941	0.7
107.08588	3.2
109.06477	0.5
109.10149	1.9
111.04460	2.4
111.08107	0.5
115.05447	1.7
116.06212	2.3
117.07019	5.0
119.08595	4.4
120.00494	0.5
121.06503	0.8
121.10172	2.3
123.08026	0.5
123.11696	0.5
125.05998	0.7
128.06219	4.1
129.07008	9.1
130.07809	0.6
131.08563	60.5
132.08923	1.4
133.10161	2.7
135.08040	0.9
135.11716	0.6
139.07555	0.8
141.06976	4.3
142.07774	5.3
143.08557	20.0
144.09393	0.6
145.06482	0.9
145.10120	13.8
147.11655	0.8
152.06293	0.5
153.06982	3.2
154.07777	1.5
155.08562	7.4
156.03651	0.7
156.09319	4.0
157.10127	18.8
158.10788	0.9
159.07996	0.8
159.11685	6.3
161.09613	0.7
163.07513	0.4
165.06996	4.1
166.07771	3.4
167.07468	0.3
167.08568	8.8
168.09375	2.6
169.06761	0.4
169.10123	11.6
170.10910	2.6
171.08061	1.1
171.11678	17.2
172.12181	0.6
173.09634	1.0
173.13275	1.2
173.95985	0.4
177.09151	0.5
178.07799	1.0
179.08543	5.7
180.09328	4.0
181.06609	0.9
181.10117	20.8
182.10892	3.7
183.08130	0.7
183.11684	9.6
184.12463	1.1
185.09645	1.3
185.13257	16.8
186.14037	4.1
187.11223	0.5
187.14793	1.3
189.06947	0.5
190.07751	0.8
191.08546	1.1
191.14288	0.6
192.09404	1.0
193.10121	6.0
194.07202	0.4
194.10928	4.0
195.08061	2.3
195.11690	22.1
196.12448	2.7
197.09662	1.8
197.13252	8.6
198.14059	0.6
199.11157	1.1
199.14832	5.8
200.15588	1.0
203.08517	1.2
203.10393	0.4
204.09341	1.3
205.10114	3.8
206.10934	1.4
207.11690	5.8
208.08871	1.2
208.12524	2.8
209.09688	5.3
209.13242	15.0
210.10481	0.7
210.13922	1.1
211.11156	2.2
211.14734	3.1
213.09070	0.6
213.12723	0.9
215.10719	0.5
217.10114	2.4
218.10823	1.1
219.11702	6.5
220.12450	2.3
221.09627	1.4
221.13235	4.7
222.10365	1.3
222.14021	3.4
223.11235	7.1
223.14763	8.4
224.12070	0.5
225.16382	1.2
227.10663	1.5
227.17979	1.2
231.11687	5.9
232.12509	2.5
233.13203	1.9
233.15431	1.3
235.11169	1.6
235.14803	7.6
236.11897	1.1
236.15567	2.6
237.12816	5.6
237.16359	14.7
238.13177	0.4
238.16789	0.7
239.14233	0.7
241.12213	1.7
246.14066	4.8
249.12717	2.1
249.16483	0.8
250.13553	1.3
251.14336	4.3
251.17949	20.5
252.18269	0.8
253.15746	0.7
253.19490	2.5
255.13904	1.7
255.17383	2.6
261.16379	24.4
262.16782	1.2
264.15063	2.0
265.18030	0.4
267.13831	1.8
269.19040	2.8
277.13754	2.0
279.17426	61.4
280.17868	1.8
282.16092	1.0
297.18481	100.0
298.18817	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	297.185
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.03934	1.0
55.01862	0.6
55.05517	2.9
57.07078	3.0
67.05510	7.3
69.03423	2.1
69.07069	3.3
69.84151	2.4
71.04991	0.8
79.05502	4.7
80.45808	0.5
80.86205	0.5
81.07059	5.8
83.04993	1.7
83.08615	1.3
91.05481	5.6
93.07056	6.0
95.04971	2.4
95.08608	19.4
96.39134	0.5
97.02878	0.9
97.06535	0.9
97.10173	1.0
98.21516	0.5
99.08075	0.7
99.88199	0.5
100.74815	0.5
103.05484	0.9
105.07026	8.9
107.04939	1.4
107.08598	9.8
109.06526	2.6
109.10161	4.1
111.04482	1.4
111.08087	1.3
113.09644	0.6
115.05444	0.8
117.07024	2.7
119.08584	11.8
121.06524	3.2
121.10144	2.4
123.08038	2.9
123.11692	1.1
125.09611	1.2
128.06227	2.1
129.07039	3.1
130.07793	0.7
131.04890	0.7
131.08589	5.5
133.06461	2.3
133.10152	5.7
135.08092	2.1
135.11674	1.1
137.09602	0.8
139.07544	0.9
141.06985	1.9
142.07780	5.5
143.08562	9.8
144.09303	2.2
145.06439	0.8
145.10124	9.5
147.08018	2.2
147.11681	1.8
149.09537	0.9
149.13184	0.5
153.06996	1.5
154.07727	1.0
155.08562	3.6
156.09343	3.7
157.10130	16.3
158.10861	2.4
159.08076	2.1
159.11713	11.5
161.09587	2.6
165.06967	2.2
166.07790	0.9
167.08626	3.7
168.09401	1.3
169.10139	8.2
170.10974	2.5
171.08063	2.2
171.11702	9.5
173.09601	2.8
173.13200	3.3
175.11194	1.5
179.08488	2.7
180.09325	3.7
181.10106	8.0
182.10849	2.0
183.08084	1.2
183.11700	5.4
184.08836	0.8
184.12511	2.3
185.09668	7.8
185.11374	0.7
185.11694	0.6
185.13245	5.2
186.13988	1.0
187.11200	2.3
187.14856	1.5
189.09161	1.3
191.10660	0.7
193.10167	3.8
193.11737	0.5
194.10898	3.2
195.08038	0.9
195.11694	14.1
196.12370	2.4
197.09583	4.0
197.13295	5.4
199.07550	0.9
199.11255	3.4
199.14828	11.9
200.15533	1.2
201.09081	0.7
201.12759	1.4
203.10686	0.8
204.09386	0.6
205.10202	1.2
206.10759	0.6
207.11752	3.5
208.08867	0.6
208.12416	2.5
209.07834	0.8
209.09671	3.5
209.13263	10.7
210.13954	1.4
211.11282	2.6
211.14816	4.8
212.11960	0.6
213.09088	1.7
213.12737	2.9
213.16321	0.8
215.10628	3.1
215.14156	0.6
219.11681	2.0
220.12457	0.8
221.13261	1.7
222.10419	1.1
222.14049	2.9
223.11176	8.0
223.14697	3.7
224.11874	0.7
225.12782	1.2
225.16370	1.8
226.13475	0.7
227.10666	3.9
227.14188	2.8
227.18065	1.4
229.12286	1.7
231.11658	1.1
235.11247	1.2
235.14830	3.4
236.11916	1.4
236.15610	1.9
237.12746	8.2
237.16362	10.0
239.14328	0.9
241.12238	8.3
241.19487	0.9
246.14050	2.0
249.12752	1.3
250.13583	0.9
251.14223	1.2
251.17966	12.3
252.18495	0.9
253.15897	2.6
253.19466	1.3
255.13811	6.8
255.17418	4.6
261.16376	3.5
264.15161	1.6
265.08722	0.8
269.15674	0.7
269.19022	13.6
279.17456	21.7
280.17661	1.0
297.11346	2.0
297.18509	100.0
298.12268	0.7
298.18820	4.7
315.19467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1847
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.03927	0.7
55.01853	1.6
55.05307	0.4
55.05510	4.8
56.96556	0.5
57.03419	1.0
57.07069	1.4
65.03927	0.9
67.05503	7.0
69.03410	1.4
69.07066	7.4
71.04980	0.9
71.08622	0.6
71.59626	1.1
73.02917	0.5
78.60267	0.5
79.05483	4.3
81.03406	0.7
81.07054	8.2
83.04955	1.2
83.08601	1.8
85.02881	1.2
85.06535	1.0
87.04467	0.7
91.05476	17.1
92.35277	0.5
93.07040	7.3
95.04949	1.5
95.08598	8.5
97.02879	1.9
97.06516	0.8
97.26768	0.5
98.97556	2.1
99.04434	0.7
103.05453	0.8
105.07016	9.0
107.04929	0.8
107.08595	5.6
109.06513	1.7
109.10159	4.0
111.04430	4.0
111.08081	1.1
113.05975	0.5
115.05437	2.0
116.05508	0.5
116.06210	3.0
116.98606	1.6
117.07024	7.8
119.08587	7.1
121.06484	1.7
121.10132	2.5
123.08022	0.7
123.11659	0.9
125.05997	0.9
125.09605	0.7
128.06212	4.6
129.07005	10.2
130.07813	1.3
131.08562	64.7
132.08907	1.1
133.06502	0.9
133.10117	3.9
134.99666	1.0
135.04362	0.6
135.08052	0.7
135.11716	1.1
139.07542	1.0
141.06966	5.0
142.07773	6.9
143.08563	20.6
143.09692	1.1
144.09299	1.8
145.06485	1.1
145.10107	16.1
147.11674	1.3
149.05923	0.5
149.09637	0.7
153.07011	2.7
154.07742	1.5
155.08542	8.0
156.09328	5.2
157.10115	20.2
158.10820	0.5
158.99738	0.6
159.11690	9.7
160.12178	0.7
161.09641	0.6
161.13264	0.8
165.06972	5.4
166.07808	2.9
167.08549	9.7
167.10635	0.7
168.09279	2.5
169.06485	0.8
169.10106	12.8
170.10881	2.6
171.08022	1.3
171.11681	17.4
172.12213	0.7
173.09666	0.9
173.13239	1.8
176.96910	0.8
177.00716	1.5
178.07672	1.2
179.08543	7.1
180.09328	4.4
181.06473	1.2
181.10112	21.7
182.10918	4.2
183.08096	1.0
183.11687	11.0
184.12422	1.3
185.09668	1.4
185.13260	16.3
186.13998	3.8
187.11154	0.7
187.14844	2.1
190.07701	0.8
191.08609	1.4
191.10588	0.6
192.09372	1.1
193.10129	6.8
194.07211	0.9
194.10876	4.3
195.08064	1.6
195.11684	22.3
196.12415	2.2
197.09555	2.6
197.13249	8.9
198.13817	0.9
199.11212	1.5
199.14796	6.8
200.15620	0.8
203.08572	0.9
203.10512	0.6
204.09280	1.5
205.10197	3.8
205.12088	0.9
206.10886	1.1
207.08147	0.6
207.11725	4.5
208.08899	1.1
208.12413	3.3
209.09680	5.8
209.13240	14.7
210.13869	1.6
211.11221	2.4
211.14754	3.7
213.09105	0.9
213.16440	0.6
215.10614	0.9
217.10121	3.8
217.12141	1.1
218.10826	0.7
219.11681	5.6
220.12463	2.6
221.09619	1.9
221.13226	5.1
222.10408	1.2
222.13954	3.2
223.11226	8.9
223.14767	9.4
224.15298	0.6
225.12810	0.7
225.16338	1.6
227.10635	2.2
227.14330	0.9
227.17932	1.2
229.12389	0.6
231.11710	5.2
232.12413	2.1
233.13205	1.8
235.11153	1.9
235.14822	9.6
236.11913	1.6
236.15445	2.4
237.09248	0.8
237.12801	5.4
237.16371	15.4
238.16772	0.9
239.14372	1.1
241.12245	1.7
246.14070	4.6
249.12773	2.2
249.16486	0.9
250.13528	1.6
251.14302	4.2
251.17960	22.0
253.15680	0.6
253.19560	2.3
255.13838	1.7
255.17409	2.4
261.16400	24.0
264.15054	1.7
265.08774	0.9
267.13770	1.1
269.19022	1.9
276.11194	1.7
276.61377	0.9
279.17435	61.0
280.17767	2.9
285.11636	0.9
296.62640	0.6
297.18484	100.0
298.18924	5.0
315.19522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1846
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
51.02782	0.5
53.03930	0.8
55.01855	1.4
55.05309	0.4
55.05508	5.0
57.03430	1.3
57.07064	1.7
58.27634	0.5
67.05505	4.9
69.03399	1.5
69.07063	7.2
71.04987	1.0
71.59498	0.6
73.02902	0.9
79.05489	3.9
81.03407	1.1
81.07050	6.8
83.04958	2.2
83.08614	1.5
85.02894	0.7
85.06536	0.8
91.05470	15.8
93.07024	5.9
95.04954	1.2
95.08605	5.8
97.02875	1.7
97.06536	0.8
103.05437	0.7
105.07027	6.4
107.04966	0.7
107.08563	4.6
109.06479	1.2
109.10130	4.0
111.04433	3.6
115.05444	2.1
116.06257	2.5
116.25058	0.5
116.53084	0.6
117.07009	6.3
119.08568	6.0
121.06522	1.0
121.10137	3.4
123.08107	0.8
123.11681	1.0
123.61452	0.4
128.06223	4.8
129.07004	10.2
130.07866	0.6
131.08559	60.2
132.08875	0.6
133.06517	0.7
133.10110	3.7
135.08049	1.1
135.11644	0.8
137.09525	0.6
139.07520	1.1
141.06982	5.0
142.07773	6.3
143.08553	20.9
144.09300	0.9
145.06537	0.6
145.10115	12.4
147.11684	1.5
149.13301	0.6
153.07027	2.4
154.07788	2.3
155.08540	8.0
156.09319	4.4
157.10112	18.3
158.10812	1.1
159.08167	0.7
159.11662	8.2
161.09525	0.7
165.06989	5.2
165.09161	0.7
166.07790	3.0
167.08563	9.7
168.09343	2.6
169.10123	12.7
170.07178	0.6
170.10837	2.3
170.12181	0.6
171.08101	0.8
171.11673	15.0
172.12202	0.6
173.09566	1.4
173.13249	1.8
175.11095	0.8
178.07755	1.2
179.08528	5.8
180.09328	2.8
181.10109	22.1
182.10909	3.8
183.08089	1.2
183.11667	11.5
184.12440	1.1
185.09634	1.5
185.13246	15.7
186.13995	2.9
187.11200	0.8
187.14790	1.3
191.08562	1.1
192.09261	0.9
193.10144	5.7
194.07271	1.1
194.10889	4.0
195.08047	2.0
195.11673	22.5
196.12399	2.2
197.09576	2.1
197.13254	8.0
199.11160	1.2
199.14825	6.9
200.15625	0.7
201.09055	0.9
203.08554	1.1
203.10643	0.6
204.09331	1.2
205.10088	4.2
206.10934	1.2
207.11700	6.1
208.08817	1.1
208.12466	2.5
209.09665	5.8
209.13229	14.1
210.13959	1.0
211.11217	2.0
211.14803	3.9
213.08887	0.6
213.12743	0.7
215.10663	0.8
216.09425	0.6
217.10141	2.8
217.12119	0.8
218.10849	1.6
219.11665	5.4
220.12451	2.2
221.09602	1.5
221.13263	4.0
222.10365	1.4
222.14014	3.7
223.11227	7.3
223.14774	7.8
225.16408	1.5
227.10669	1.8
227.17917	1.4
231.11705	4.7
232.12408	2.2
233.13263	2.0
235.11121	2.2
235.14799	7.6
236.11807	1.1
236.15565	1.9
237.12784	5.1
237.16351	14.1
239.14334	0.6
239.17758	0.7
241.12228	2.1
241.19586	0.5
246.14027	4.7
249.12573	2.7
250.13565	0.8
251.14311	2.9
251.17961	20.3
253.15900	0.9
253.19577	3.7
255.13831	1.9
255.17459	2.7
261.16373	23.3
264.15051	1.9
267.13843	1.0
269.15591	0.9
269.18939	3.5
279.17432	62.7
280.17697	2.6
282.16132	0.6
297.18488	100.0
298.18814	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01859	1.0
55.05510	3.8
56.96530	0.5
57.07073	2.8
59.04998	0.5
62.23142	0.4
64.87259	0.4
65.03938	0.5
67.05507	7.1
69.03443	2.6
69.06759	0.5
69.07066	4.4
69.86971	2.8
76.41759	0.4
79.05491	3.8
81.03412	0.8
81.07056	6.2
83.04982	5.8
83.08611	1.6
84.04503	0.8
85.02920	0.4
85.06515	0.5
91.05473	6.3
93.07045	6.5
95.04962	2.1
95.08607	15.9
97.02890	0.9
97.06509	1.5
97.10162	1.1
99.04481	0.7
99.08079	1.7
103.05531	0.5
105.04543	0.5
105.07037	8.8
107.04935	1.9
107.08594	9.7
107.81422	0.4
109.06501	2.0
109.10151	3.2
111.04459	2.3
111.08070	1.1
115.05412	1.1
117.07010	3.1
119.08582	14.9
121.06501	2.8
121.10136	2.1
123.08057	3.1
123.11687	0.5
125.09615	0.7
128.06215	1.7
129.07018	3.0
130.07791	0.5
131.08560	6.4
133.06500	2.4
133.10132	6.9
135.08058	1.5
135.11746	1.2
137.09558	0.9
139.07552	1.4
141.06970	1.6
142.07773	4.5
143.08553	10.3
144.09392	2.3
145.06477	1.4
145.10123	10.9
147.08005	2.4
147.11674	1.8
149.09650	1.3
151.07561	0.6
153.07007	1.1
154.07774	1.2
155.08531	4.2
156.09337	3.1
157.06516	0.8
157.10127	17.8
158.07210	0.5
158.10892	2.2
159.08078	2.3
159.11693	13.0
161.09647	2.6
161.13330	0.5
163.11174	1.0
165.06956	2.8
165.09180	0.5
166.07793	0.9
167.08551	3.9
168.09351	1.3
169.10120	7.7
170.10933	2.9
171.08072	2.4
171.11681	11.0
173.09631	3.0
173.13208	2.5
175.07564	0.5
175.11192	0.9
177.09215	0.6
179.08522	2.9
180.07964	0.7
180.09344	3.4
181.10120	8.2
182.10870	1.7
183.08060	1.4
183.11703	6.2
184.12451	2.3
185.09619	9.6
185.13226	5.4
186.13985	1.3
187.07474	0.5
187.11214	2.9
187.14859	1.1
189.09131	1.3
189.12807	1.1
191.10623	0.8
192.09317	0.7
193.10135	4.1
194.10887	3.2
195.08136	0.8
195.11702	14.5
196.08762	0.6
196.12523	2.4
197.09650	3.1
197.13251	5.4
198.10378	0.7
199.07541	0.9
199.11182	4.3
199.14832	11.7
199.16609	0.9
200.15549	1.0
201.09132	1.4
201.12743	1.5
203.10674	1.8
204.09276	0.5
205.10167	1.0
206.10861	0.7
207.11707	4.3
208.08775	1.2
208.12509	3.0
209.09785	3.2
209.13240	11.8
210.10312	0.6
210.13925	1.3
211.11226	1.8
211.14812	4.7
212.12039	0.5
213.09135	2.0
213.12711	3.4
213.16362	0.9
215.10727	2.8
215.14279	0.5
219.11703	2.1
220.12480	1.5
221.09650	0.8
221.13293	2.6
222.10439	1.2
222.13969	3.3
223.07861	0.5
223.11191	8.3
223.14685	3.5
224.11880	0.7
225.12744	1.4
225.16278	2.4
227.10716	3.8
227.14268	2.4
227.18007	1.5
229.12228	1.1
231.11688	1.2
232.12218	0.6
233.13519	0.5
235.11230	1.6
235.14882	3.5
236.11952	1.6
236.15518	1.4
237.09067	0.6
237.12766	7.9
237.16386	12.3
238.16876	0.9
239.14325	0.9
241.12233	7.7
241.15907	1.0
241.19434	1.0
246.14026	2.4
249.12701	1.0
250.13609	1.1
251.10342	0.5
251.14308	1.1
251.17975	13.1
252.18454	0.6
253.15878	2.9
253.19504	1.9
255.13770	7.3
255.17441	4.7
256.14044	0.5
261.16440	4.5
264.15198	1.1
269.15881	0.6
269.18991	12.2
279.17450	23.1
279.23138	0.9
280.17816	1.0
297.18503	100.0
298.12869	1.0
298.18765	5.3
315.19522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1699
Annotation	4-O-Methylhymenoxon
Peak:m/z	Relative Intensity
50.26920	1.4
53.03936	2.1
55.01854	4.3
55.05515	13.5
56.96559	1.5
57.03443	15.9
57.07060	3.8
67.05509	17.9
67.49008	1.3
69.03437	15.4
69.07072	19.4
70.09621	8.2
71.04970	5.1
79.05488	14.4
79.28165	1.4
81.07061	83.6
82.07372	1.8
83.04994	8.1
83.08624	10.9
85.02877	5.0
85.06551	13.1
91.05487	17.3
93.06490	2.3
93.07053	38.5
94.07326	1.7
94.48544	1.4
95.04971	8.7
95.08066	2.4
95.08610	35.6
97.02901	18.6
97.06530	7.3
97.10166	2.8
98.97552	3.1
99.04447	1.7
99.08031	1.5
103.05406	2.0
105.07033	66.3
107.04957	1.8
107.07988	1.8
107.08601	25.0
109.06516	17.7
109.10149	12.5
111.04417	4.2
111.08048	2.8
113.05968	2.0
113.09563	1.4
115.03910	8.4
116.98600	2.3
117.06966	5.6
119.04911	2.1
119.08579	27.2
121.06470	5.9
121.10143	39.1
123.08026	5.9
123.10841	1.9
123.11711	32.0
125.05980	3.0
125.09607	3.7
129.06999	1.9
131.08533	5.7
133.10149	7.4
135.08012	4.5
135.11743	7.6
137.05919	2.8
137.09590	3.6
137.13258	7.2
139.11159	3.7
141.06987	1.8
143.08495	5.7
145.06458	1.9
145.10135	8.0
147.04375	6.0
147.07996	3.5
147.11693	39.4
149.09572	2.4
149.13293	8.3
151.07480	4.8
151.11172	4.5
153.12701	3.6
155.08458	2.0
157.10089	4.6
159.07994	2.3
159.11710	7.1
161.09592	3.9
161.13223	6.0
163.07474	4.1
163.11214	7.5
165.09058	2.4
165.12758	73.4
166.13095	2.6
171.11696	4.6
173.09570	2.2
173.13274	3.8
175.11128	2.4
177.12691	6.7
181.09991	1.8
181.12317	1.9
183.11688	2.1
183.13707	3.7
184.74300	1.3
185.09621	1.5
185.13150	1.9
187.11157	1.4
189.12679	5.0
191.10599	1.4
193.12204	1.7
195.11743	1.8
195.13805	1.8
197.13219	4.1
198.14651	1.5
199.14803	2.4
201.12654	2.2
203.14343	1.6
205.12129	2.9
207.13760	5.6
209.13156	1.8
211.13333	1.6
213.12692	3.0
215.14372	3.2
219.13745	2.8
229.69693	1.6
231.13718	4.1
233.15346	1.8
241.12227	1.8
243.13785	11.1
249.14865	3.8
251.18141	1.8
261.14832	13.4
279.15714	11.3
297.11218	4.4
297.16888	100.0
298.17133	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	297.1697
Annotation	[4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Peak:m/z	Relative Intensity
53.03936	7.1
55.01865	12.2
55.05508	31.9
56.05029	8.8
56.96578	4.2
57.03445	24.1
57.07062	3.7
59.04977	6.8
61.02917	24.1
67.05504	23.6
69.03147	3.6
69.03432	43.3
69.07064	28.0
69.84762	16.0
69.85180	5.6
71.01345	7.3
71.04991	68.4
73.02919	18.6
73.06532	3.8
79.05494	34.6
81.03412	20.6
81.06647	5.2
81.07064	68.0
83.04967	16.5
83.08624	5.3
85.02904	45.8
87.04443	7.1
88.46221	3.1
89.18635	3.3
91.05476	56.7
93.07043	62.8
95.04967	22.2
95.08598	35.2
97.02906	28.3
97.06508	9.9
98.21423	5.6
98.97588	3.9
99.04421	6.2
101.02357	6.4
103.03947	10.5
103.05505	4.3
104.05294	10.4
105.07028	87.0
107.04942	8.4
107.07869	5.0
107.08591	74.2
109.02878	5.8
109.06528	22.8
109.10139	32.2
111.04425	8.3
111.08060	6.5
113.05965	5.1
115.03909	12.5
115.05452	6.9
116.98586	5.4
117.07016	28.2
119.03357	3.6
119.04907	4.9
119.08579	95.4
120.08121	8.3
120.08935	4.6
121.06516	18.4
121.10140	48.6
123.04390	9.1
123.08050	35.6
123.11684	13.3
125.09621	3.8
127.03934	8.1
128.06201	8.4
129.05455	6.1
129.06973	12.1
130.07748	7.6
131.04956	6.0
131.08565	42.6
132.99541	7.8
133.04988	5.6
133.06477	14.6
133.10123	24.9
135.08067	21.8
135.11687	42.3
136.06111	4.5
136.12021	6.5
137.05977	11.9
137.09586	11.6
137.13226	12.4
142.07813	3.9
143.08546	19.7
145.04974	5.3
145.06487	10.6
145.10129	46.3
147.08063	41.2
147.11697	29.9
149.05969	3.9
149.09630	10.9
149.13217	10.3
151.07520	10.3
151.11176	19.6
153.12726	8.5
154.13068	5.0
155.07059	3.9
155.08575	7.1
156.09354	4.8
157.10147	8.0
159.08023	15.5
159.11685	27.5
161.09587	10.1
161.13243	14.6
163.07520	5.9
163.11194	45.6
165.09125	5.6
165.12746	31.2
169.10098	5.6
171.11682	11.2
173.09615	44.6
173.13240	14.2
175.07555	9.5
175.11183	11.3
177.09116	3.7
177.12741	59.9
179.14169	7.6
181.12129	3.8
182.10977	4.2
183.11694	6.2
187.11104	20.5
189.12727	37.4
191.10640	15.2
191.14322	6.4
193.08594	6.0
197.13300	6.9
200.11900	4.1
201.09164	6.3
201.12737	23.9
203.07460	6.2
203.14383	5.3
205.12219	7.8
207.13789	16.7
209.11740	5.0
213.12680	6.0
215.14331	11.8
217.12355	5.6
219.13818	19.6
231.13802	14.3
233.15331	4.8
238.82350	3.6
243.13812	20.3
253.08202	4.1
261.14859	45.9
279.15872	41.9
280.11893	5.8
280.16205	4.2
285.07730	4.9
297.11298	7.5
297.14008	7.3
297.16968	100.0
298.17371	6.5
299.05930	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	296.9774
Annotation	Dithianon
Peak:m/z	Relative Intensity
51.20438	0.5
54.44630	0.6
59.09306	0.7
71.44608	1.5
85.39404	0.6
87.10043	1.0
89.66341	0.7
94.93005	2.4
104.10734	4.5
105.11067	5.0
112.89616	5.6
113.21282	0.6
145.04358	0.6
164.93532	1.8
199.79233	0.6
204.40379	0.5
222.98824	21.0
223.99319	0.7
232.74998	0.7
236.99184	0.8
237.99663	1.4
261.92651	1.1
296.97729	100.0
297.06915	4.8
297.97928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.1
57.07075	11.0
60.04535	100.0
67.05487	14.3
69.07067	11.5
71.60242	12.9
72.62885	6.4
81.07061	19.7
93.07047	21.4
95.08610	17.8
97.82876	7.7
105.07035	16.3
107.08586	46.7
109.06419	7.0
109.10168	15.8
113.16045	7.3
119.08569	14.0
121.10157	8.8
131.08589	13.1
133.10152	10.6
135.08141	7.6
135.11719	18.5
145.10129	22.6
147.11655	14.8
153.09135	8.5
159.11691	21.6
161.13281	12.2
163.11218	6.6
175.68071	6.9
200.90224	7.0
201.16408	23.0
203.17973	11.2
219.17424	20.8
234.10414	8.8
250.09897	11.5
265.09375	10.0
265.12216	76.8
269.41269	7.2
278.21210	8.0
296.09558	10.0
296.12900	18.1
296.16629	58.9
296.22247	76.9
297.08423	7.3
297.18454	27.4
305.78305	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	296.2222
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
50.03514	0.3
55.05505	1.1
56.05030	0.4
56.05826	0.4
57.07077	6.9
60.46721	0.3
67.05504	2.6
68.05025	0.4
69.03419	0.4
69.07077	1.6
70.06590	10.3
70.35875	0.9
71.04979	0.2
71.08628	8.1
74.35899	0.3
79.05482	1.1
80.05029	0.8
81.07058	5.6
82.07358	0.3
83.04951	0.3
83.08624	0.5
85.10176	4.7
91.05482	0.5
93.07034	1.1
94.06590	0.6
94.07372	0.4
95.08601	4.8
96.04463	0.4
96.08128	7.8
96.08809	0.6
97.10185	0.4
98.06040	0.5
105.06988	0.3
106.06547	4.0
106.33599	0.3
107.08598	0.5
109.10136	0.3
114.05512	0.6
114.09161	3.0
120.08099	1.2
121.10130	0.4
124.07575	3.2
126.05504	0.3
131.08565	0.5
134.09657	0.3
137.13223	0.3
138.09169	0.7
140.07050	0.5
142.08630	36.4
143.08725	0.3
145.10135	0.3
146.57880	0.3
155.14282	0.8
180.10143	0.5
199.68896	0.3
209.13397	0.5
232.20514	1.7
234.10483	0.3
235.07547	0.5
250.10057	0.7
250.21661	25.8
265.12216	1.2
278.21698	1.0
279.17548	0.3
288.55869	0.3
296.22189	100.0
297.18500	1.1
297.22479	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1354
Annotation	N6,N6-Dimethyladenosine
Peak:m/z	Relative Intensity
53.73867	0.2
55.01865	1.1
55.05504	0.3
56.38303	0.1
56.96557	0.2
57.03433	1.5
59.05000	0.3
61.02925	0.3
67.05517	0.3
68.07954	0.2
68.25941	0.1
69.03424	1.0
69.07058	0.4
70.04063	0.3
70.06572	0.3
71.01354	0.4
71.04987	0.2
71.06128	0.2
71.57554	0.2
71.57922	0.2
72.08150	0.2
73.02912	0.4
75.04462	0.7
81.07065	0.3
84.04489	0.2
84.08128	0.2
85.02912	1.0
86.09692	0.4
87.04474	0.3
91.05479	0.6
93.07042	1.8
94.04061	0.2
95.06088	0.3
95.08582	0.3
97.02889	0.6
98.97573	0.3
103.03904	0.3
106.05092	0.2
107.08603	0.9
109.10130	0.2
115.03934	0.5
119.04968	0.3
120.08102	2.9
121.05099	0.6
121.08462	0.3
123.00796	0.2
123.06660	0.3
131.08586	0.2
133.05008	0.3
135.11690	1.7
136.07573	0.3
137.07916	0.3
147.04424	0.8
149.06999	0.5
150.07736	0.4
151.08043	0.2
162.07722	0.4
164.09320	100.0
165.09734	0.9
175.12326	0.2
193.13382	0.6
195.08104	0.2
197.03070	0.2
206.10345	0.3
215.09375	0.2
222.06342	0.2
233.09404	0.3
234.10423	0.2
235.07564	0.5
250.09976	0.3
251.10272	0.3
252.20775	0.5
265.12219	1.0
296.06467	0.5
296.13528	24.2
297.13715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46667	0.5
57.47923	0.4
60.08163	1.3
70.48383	1.6
70.48792	0.9
71.07370	2.1
86.09697	15.1
104.10738	100.0
105.11115	0.6
115.96613	0.4
222.02950	0.7
222.98814	2.2
236.99234	51.1
256.19708	0.6
257.78366	0.5
257.82428	0.4
296.06589	70.5
296.97739	18.8
297.01163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46667	0.5
57.47923	0.4
60.08163	1.3
70.48383	1.6
70.48792	0.9
71.07370	2.1
86.09697	15.1
104.10738	100.0
105.11115	0.6
115.96613	0.4
222.02950	0.7
222.98814	2.2
236.99234	51.1
256.19708	0.6
257.78366	0.5
257.82428	0.4
296.06589	70.5
296.97739	18.8
297.01163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23528	9.0
55.05498	39.2
57.07069	38.5
67.05493	36.5
67.60281	9.0
69.07078	65.0
71.03694	15.4
71.04041	20.9
71.05000	11.0
71.08659	20.7
81.07067	87.7
83.08602	39.5
85.10177	11.6
95.08602	100.0
97.10169	35.8
109.10162	68.8
111.11724	34.8
123.11707	33.2
137.13252	11.8
141.66513	9.0
150.21487	10.3
224.70683	10.6
230.51772	9.9
234.10464	20.0
235.07475	14.1
250.10014	25.4
259.51996	9.2
264.24625	12.0
265.12173	65.1
273.05536	9.6
277.28934	13.8
295.13916	11.5
295.17017	26.2
296.16428	47.1
296.29565	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	295.2634
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
53.03964	0.8
55.01878	1.4
55.05513	13.0
55.55406	0.5
56.96564	2.7
57.03433	2.2
57.07079	6.6
59.04996	2.1
65.03955	0.9
67.05508	13.9
69.03418	3.5
69.07070	100.0
70.07401	0.8
70.20222	1.3
70.20620	1.4
71.05002	2.7
71.08630	2.6
78.69494	0.6
79.05498	5.7
80.32815	0.6
81.03425	1.3
81.07058	31.9
83.05000	1.8
83.08622	8.9
85.02917	2.2
85.06557	2.5
85.10185	1.6
89.03945	1.1
91.05475	5.9
93.07053	9.4
95.04967	2.8
95.08610	23.8
97.02905	6.7
97.06538	6.8
97.10141	3.9
98.97597	1.6
99.04481	0.7
99.08096	2.7
101.06010	0.7
105.07033	3.6
107.04975	2.6
107.08601	8.2
109.02861	1.5
109.06526	2.3
109.10155	24.9
110.10547	0.8
111.04482	0.8
111.08080	1.3
111.11721	22.9
115.03946	1.1
116.98646	2.0
117.03416	0.9
119.04977	1.2
119.08584	4.4
119.25749	0.7
121.10148	8.1
121.20269	0.6
123.08111	1.7
123.11712	12.2
125.09664	1.9
125.13261	0.9
125.36639	0.6
127.03923	0.9
127.11224	2.0
129.06967	0.7
129.12782	2.7
131.08578	1.2
133.04973	1.4
133.10112	3.1
134.99608	0.8
135.04433	2.1
135.08058	1.5
135.11668	5.2
135.12398	0.5
137.09581	1.1
137.13237	5.5
139.11185	23.8
142.34419	0.6
143.00101	1.0
145.02844	3.0
145.10161	0.8
147.04405	3.5
147.11710	3.4
149.13258	4.0
151.11223	1.4
153.12775	1.5
157.10170	1.0
157.12245	3.7
159.11787	0.7
161.01274	2.1
161.13290	0.7
163.03920	13.6
163.14810	2.0
164.04276	0.7
165.12721	1.4
167.14330	0.9
169.12184	0.7
171.11613	0.8
175.07919	0.7
175.11165	0.8
175.14832	1.9
177.05508	1.9
177.16420	1.6
189.16394	0.8
191.17984	1.1
193.15924	1.6
203.14287	0.6
203.17957	1.0
209.18991	0.8
215.07080	1.2
221.19025	0.8
223.63676	0.7
235.07573	1.6
249.02795	1.1
250.09828	1.0
259.09616	3.1
259.24149	3.4
263.07092	0.9
265.12369	1.7
267.03833	1.3
267.10074	0.7
268.74292	0.7
277.14328	0.6
277.25290	10.7
278.25861	0.8
295.05945	1.5
295.09576	2.8
295.12805	0.6
295.17059	1.5
295.26321	38.8
296.16373	0.9
296.26746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.03934	4.1
55.01866	3.7
55.05511	100.0
57.07067	3.3
67.05502	7.1
69.03416	1.9
69.07064	6.8
70.66579	1.3
71.04992	12.5
71.60683	1.7
79.05492	8.8
81.03420	1.3
81.07056	13.3
83.04989	1.6
83.08620	69.0
85.06539	2.6
87.04459	1.1
91.05486	6.7
93.07047	10.3
95.04976	5.3
95.08614	12.3
95.51497	1.2
97.06531	18.5
97.10162	6.2
105.07028	9.4
107.04999	1.3
107.08596	9.3
109.06509	1.6
109.10164	8.5
111.08073	2.1
117.07038	2.4
119.08587	10.5
121.06487	3.1
121.10141	6.2
123.08092	1.7
123.11684	2.4
123.23526	1.1
125.09636	3.3
129.06990	3.5
131.08551	4.6
133.10132	13.9
135.08081	1.5
135.11719	3.2
137.06009	1.2
137.09575	1.5
142.07829	2.6
143.08549	4.6
143.57198	1.2
145.10120	5.1
147.11674	4.9
149.13252	2.2
155.08556	1.9
155.37462	1.3
156.09329	1.9
157.10146	7.1
158.10854	3.4
159.11710	4.8
165.01814	2.3
169.10130	3.7
170.10849	2.1
171.11720	6.5
173.13269	10.2
175.11194	2.1
175.14790	1.9
181.10126	1.8
181.58464	1.2
182.10928	1.4
183.11679	1.7
184.07338	1.2
185.13240	1.9
193.12209	1.5
195.13808	8.8
197.13248	4.1
199.14850	2.7
207.11617	1.5
209.13322	1.9
211.13210	2.2
211.15007	2.1
212.15570	1.6
213.14842	35.9
213.16864	1.7
219.11615	1.6
221.09688	1.6
221.13243	2.5
225.14719	1.6
235.07489	1.3
235.11182	1.1
235.14835	2.0
249.16458	3.1
250.09995	1.8
265.12299	4.9
277.15851	1.9
277.21613	4.6
295.13950	1.5
295.16946	6.2
295.22949	28.3
296.16602	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
52.02489	3.2
53.03936	6.1
55.01867	8.2
55.05513	38.8
57.03426	3.6
57.07066	7.3
67.05503	84.3
68.20448	3.0
69.07075	21.4
69.63632	8.5
69.64056	16.3
71.04982	7.1
71.08633	40.1
79.05486	30.9
81.03411	18.9
81.07055	62.4
83.04974	14.9
83.08622	24.3
85.02913	3.4
91.05480	25.5
93.07046	48.6
95.04960	16.7
95.08604	30.3
95.43447	3.4
97.06542	6.9
97.10172	27.5
99.08094	47.0
104.10743	7.4
105.07038	18.0
107.04928	6.4
107.08587	28.3
109.06518	4.6
109.10146	19.3
111.08095	4.6
117.06989	7.8
119.08575	17.8
121.10139	23.7
123.08055	8.0
123.11690	6.1
125.09634	22.5
128.06233	3.3
129.06989	5.4
131.08565	6.4
133.10110	14.8
135.08134	3.0
135.11697	18.3
137.09570	4.4
139.11194	3.3
143.08507	5.6
145.10104	7.7
147.11711	15.3
149.13269	8.9
151.11185	39.6
159.11665	7.3
161.13235	15.8
163.11169	19.3
163.14758	7.4
165.12772	7.7
171.11653	6.8
173.13191	4.0
175.14818	3.4
179.14368	19.0
181.12209	3.2
184.07407	3.9
185.13304	4.8
189.11259	21.4
192.34229	3.3
199.14848	4.2
203.05327	3.7
241.19415	6.9
259.20654	13.8
277.21613	100.0
278.21890	4.0
295.19589	5.1
295.22665	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	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01866	10.3
55.05264	3.1
55.05508	38.1
56.96561	5.1
57.03419	3.9
57.07069	10.8
60.04508	4.7
65.03945	2.9
67.05505	76.3
69.03419	5.3
69.07073	20.9
69.46925	23.7
71.05019	5.3
71.08633	41.2
75.76366	2.7
79.05486	37.9
81.03419	10.4
81.07051	49.2
83.04969	10.1
83.08624	21.0
85.06543	6.5
85.10165	4.9
91.05479	23.4
93.07048	42.1
95.04951	13.2
95.08605	33.8
97.06527	11.3
97.10171	24.2
98.97594	2.8
99.08097	37.6
105.07032	19.7
105.37975	2.7
107.08582	33.9
108.74644	2.6
109.06501	6.7
109.10159	23.5
111.08080	10.4
111.27942	2.4
113.09624	4.9
117.06991	6.0
119.08570	18.6
121.06488	3.2
121.10151	17.7
123.08088	3.8
123.11700	7.7
125.09621	19.1
129.06955	2.5
131.08592	11.4
133.10110	17.7
135.08090	3.5
135.11693	16.3
137.09608	6.8
141.12804	3.6
143.08591	4.7
145.10124	9.4
147.11652	12.3
149.09535	2.6
149.13216	7.9
149.86850	2.3
151.11157	36.5
157.10168	3.2
158.99588	2.5
159.11671	3.9
161.13280	16.9
163.11176	14.5
163.14865	5.4
165.12738	5.8
171.11659	3.9
173.13293	3.7
175.14844	5.8
177.12677	3.9
179.14352	11.8
185.13184	3.8
189.11232	14.4
189.12733	2.8
199.14716	2.4
221.71066	2.8
231.21161	4.0
237.02872	6.4
241.19505	9.3
249.22264	3.8
259.20627	14.9
265.12329	4.7
277.21606	100.0
295.17105	3.5
295.22662	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	295.227
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03933	4.6
55.01868	7.7
55.05271	3.6
55.05511	50.8
57.03442	4.6
57.07088	9.0
67.05504	82.1
69.03457	6.1
69.07079	28.1
70.07835	16.1
70.08247	8.3
71.04993	5.2
71.08624	19.2
73.32984	3.7
79.05484	34.4
81.03401	6.4
81.07059	65.5
83.04978	17.1
83.08631	25.0
85.02917	4.2
85.06533	6.0
91.05492	26.0
93.07049	49.8
95.04966	16.7
95.08615	41.1
97.06543	9.7
97.10168	29.9
99.08061	11.9
105.07020	17.1
107.08603	39.4
109.06506	9.2
109.10155	36.7
111.08062	6.2
119.08575	21.8
121.10156	22.8
123.08064	5.8
123.11651	8.9
125.09631	24.7
131.08545	7.7
133.10118	14.8
135.11693	16.3
137.09625	6.2
139.11172	9.8
143.08521	6.4
145.10101	5.5
147.11697	15.9
149.13283	10.3
151.11188	14.2
157.10129	6.7
159.11646	7.8
161.13258	10.8
165.12701	7.3
169.10120	3.9
171.11757	10.3
173.13150	5.3
175.14778	6.4
179.14264	6.8
189.11177	19.1
193.15942	6.0
207.11906	4.9
207.13765	4.5
231.21175	6.5
241.19498	11.1
249.22139	7.4
250.10225	5.2
259.20511	17.5
265.12180	11.8
277.21643	100.0
291.63950	5.1
295.16882	10.5
295.22681	38.6
296.16364	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.96684	2.2
53.03940	11.8
55.01869	5.3
55.05503	21.4
56.32129	2.2
57.07066	4.4
67.05501	46.5
69.07063	30.9
70.20392	11.4
71.08616	2.6
79.05493	27.5
81.03419	51.2
81.07053	39.5
83.04988	15.0
83.08604	6.9
85.06542	3.0
91.05466	16.8
93.07040	35.3
95.04972	31.9
95.08608	21.1
97.10157	4.0
98.21407	3.0
99.08076	7.1
105.07024	17.9
107.08592	26.0
107.97569	2.9
109.06491	7.8
109.10128	17.3
111.08094	2.9
119.08595	13.0
121.10110	9.1
123.11680	7.7
125.09669	5.3
131.08484	3.6
133.10126	17.2
135.08057	3.8
135.11665	5.7
147.11623	17.2
149.13277	7.4
151.11169	43.2
153.09044	3.2
161.13277	9.0
163.14818	3.1
165.12785	8.4
171.11662	4.3
175.11201	3.1
179.14345	8.4
185.13234	2.6
189.12849	3.7
193.12180	3.0
207.13658	3.4
217.19603	5.3
231.21060	5.8
249.22150	3.9
259.20590	9.3
277.21622	100.0
295.22812	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.28114	2.0
53.03938	5.7
55.01867	4.2
55.05515	26.3
57.03426	5.5
57.07062	7.5
60.08140	6.5
65.03926	3.8
67.05171	3.4
67.05506	58.6
69.03426	5.3
69.06719	2.8
69.07066	26.7
71.04957	4.3
71.07339	2.6
71.08283	3.2
71.08629	39.2
78.05204	2.5
79.05057	2.9
79.05491	28.6
81.03404	16.1
81.07053	43.0
83.04954	7.8
83.08614	13.4
85.06532	5.9
85.29915	2.1
86.09702	27.4
87.09995	2.2
91.05476	21.9
93.07042	36.2
95.04968	21.0
95.08604	33.9
97.06506	5.8
97.10159	13.5
98.20689	4.1
98.98450	4.8
99.04461	2.2
99.08084	33.0
104.10736	3.7
105.07035	18.6
106.93275	2.2
107.04935	4.7
107.08592	20.8
109.06515	8.6
109.10168	20.7
111.08082	3.9
117.07001	4.2
119.08570	14.0
120.12569	2.1
121.10141	17.2
123.08111	11.1
123.11684	3.6
125.00004	19.5
125.09623	7.6
127.11182	2.3
130.26678	2.1
131.08568	3.4
131.72870	2.2
133.10146	11.4
135.08058	2.5
135.11690	14.0
137.09621	6.7
139.11179	3.6
143.08578	3.4
144.63925	2.2
145.10106	5.6
147.11676	7.3
149.13225	7.9
151.11171	33.2
153.12715	3.0
157.10153	4.6
159.11635	2.7
161.13275	9.1
163.11166	7.8
165.12794	4.8
171.11749	3.0
175.14783	5.2
179.14291	20.5
180.14610	3.2
182.50626	2.2
184.07343	70.5
185.07649	4.0
185.13277	2.7
189.11197	5.6
193.03795	2.3
221.15410	3.6
231.20970	5.2
241.19536	7.1
259.20612	8.5
267.17316	2.3
277.21628	84.4
295.16934	7.2
295.22684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03911	4.0
55.05512	20.1
67.05502	43.2
69.07069	13.2
69.61974	26.6
71.08627	42.7
79.05493	38.4
81.03404	6.7
81.07055	51.4
82.71143	3.9
83.04968	20.5
83.08625	8.7
88.53541	3.4
91.05483	22.5
93.07053	56.6
95.04951	12.3
95.08607	32.2
97.06512	9.7
99.08094	30.7
105.07021	13.5
107.04967	4.9
107.08589	32.8
109.06540	5.3
109.10148	19.6
117.07001	4.6
119.08553	12.5
120.40954	3.3
121.10104	23.3
123.47739	3.6
127.01961	3.5
131.08562	3.5
133.10112	12.5
135.11703	35.3
137.09625	6.7
141.09114	4.8
145.10155	6.2
149.13254	11.3
151.11172	12.9
159.11717	3.6
161.13252	8.6
163.11142	5.7
179.14310	100.0
221.15356	4.7
246.06721	3.2
259.20575	5.8
277.21710	56.8
295.22562	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	7.7
55.01875	24.4
55.05510	45.4
57.03431	4.2
57.07066	7.7
59.16982	2.3
67.05174	4.9
67.05505	75.1
69.03425	3.9
69.07071	29.3
70.31057	6.5
70.31458	4.5
71.04977	4.0
71.08630	36.1
79.05495	42.3
81.03420	9.7
81.07061	64.2
83.04964	14.7
83.08627	28.6
84.25478	2.6
85.06536	3.2
85.10180	4.4
85.13188	2.8
87.04441	3.0
87.40128	2.8
91.05482	29.8
93.07043	53.6
94.45977	2.8
95.04974	15.6
95.08607	40.7
96.89601	2.7
97.06537	12.2
97.10170	14.1
99.08096	27.3
105.07034	25.2
107.08601	31.0
109.06515	6.6
109.10172	23.0
111.08088	30.1
113.09639	6.8
117.07072	3.6
119.08593	17.4
121.10162	19.2
123.08040	5.3
123.11737	7.7
125.09608	13.4
129.06984	3.9
131.08586	6.7
133.10152	24.8
134.34561	2.9
135.08023	6.4
135.11716	15.1
137.13248	5.1
139.11183	8.2
143.08609	3.8
145.10103	6.1
147.11671	11.1
149.09621	5.2
149.13264	20.2
151.11165	25.4
153.12779	4.3
157.10088	4.0
159.11703	11.6
161.13240	14.9
163.11157	10.2
163.14752	2.9
165.12752	9.2
171.11647	6.6
173.13148	3.5
175.11156	4.1
175.14851	4.8
177.12752	5.8
178.26320	3.2
179.14252	10.1
185.13252	3.3
189.11282	12.9
195.13820	9.2
231.21135	3.6
241.19490	8.5
249.22084	3.8
259.20596	11.3
277.21631	100.0
289.44870	2.9
295.17090	5.5
295.22668	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03941	4.9
55.01873	24.7
55.05513	37.0
57.03440	4.4
57.07067	7.2
61.52617	1.9
65.03932	2.2
67.05505	71.6
67.53790	1.7
69.03422	5.7
69.06734	1.9
69.07075	26.5
69.87142	7.8
69.87566	3.9
71.04986	4.5
71.08632	32.4
79.05495	32.4
81.03423	12.1
81.07057	53.3
83.04979	15.0
83.08623	28.6
85.02891	4.4
85.06552	4.7
85.10171	6.7
91.05482	28.0
93.07040	43.4
95.04985	15.9
95.07993	2.0
95.08604	41.8
97.06528	15.5
97.10170	21.9
99.08100	31.9
100.61578	1.7
105.07032	25.6
107.04942	5.4
107.08596	25.7
109.06500	6.9
109.10163	17.6
111.08079	23.5
113.09674	8.4
117.07024	6.1
119.08569	16.9
121.06504	2.7
121.10152	20.0
123.08071	6.1
123.11703	6.5
125.09629	11.7
129.07011	4.0
131.08589	4.8
133.10109	14.4
135.08086	2.8
135.11684	15.0
137.09599	7.1
137.13235	2.7
139.07530	2.4
139.11197	4.5
141.12721	2.2
143.08546	4.3
145.10162	8.6
147.08080	1.7
147.11655	18.3
149.09613	5.8
149.13292	11.9
151.11186	33.0
153.12756	4.1
157.10095	3.3
157.67448	1.9
159.11708	3.5
161.13237	15.6
163.03889	5.1
163.11208	13.0
163.12321	2.0
163.14856	3.3
165.12758	17.7
167.14304	2.9
171.02162	1.7
171.11653	3.8
173.13359	3.5
175.11191	2.6
175.14876	5.0
177.12691	2.0
179.14343	11.7
185.13286	3.3
189.11223	10.6
193.15919	2.3
199.14807	3.0
231.21078	5.5
241.19496	7.8
249.22133	6.5
259.20584	13.5
277.21637	100.0
278.22141	2.4
295.22687	48.8
296.22949	2.2
314.57550	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.02383	1.6
51.53802	1.1
53.03941	2.9
55.01649	1.1
55.01871	11.0
55.05513	30.6
57.03421	3.6
57.07063	3.9
59.04996	1.6
62.52668	1.0
65.03931	2.3
67.05506	88.6
69.03410	4.6
69.07069	62.3
70.64439	2.4
70.64836	2.6
71.04993	15.7
73.06528	1.5
79.05492	57.7
80.47893	1.0
81.03407	3.5
81.07057	98.8
82.07385	1.4
83.04981	13.2
83.08620	18.3
85.02892	2.1
85.06549	14.0
91.04901	1.2
91.05479	31.3
93.07043	85.9
95.04973	7.7
95.08608	77.7
97.06533	13.1
97.10183	13.6
99.08092	13.6
101.05932	1.0
105.07029	21.2
107.08599	46.0
108.09920	1.1
109.06497	5.3
109.09467	1.7
109.10162	28.0
111.08099	5.5
111.11729	1.5
112.67803	1.4
113.09566	1.6
115.05447	1.2
117.07003	6.9
119.08580	19.4
121.06533	1.9
121.10144	80.8
123.08031	4.6
123.11724	8.0
125.09634	16.8
129.06989	3.1
131.08562	13.6
133.10139	20.9
135.11694	51.4
137.09663	6.2
137.13240	2.4
139.11174	12.0
141.09105	1.1
143.08553	4.1
145.10126	11.6
147.11699	19.2
149.09616	5.0
149.13260	16.4
151.11136	4.8
155.10687	1.4
157.10126	3.7
159.11676	9.0
161.13249	8.6
163.03923	3.8
163.11162	5.1
163.14880	5.4
165.12750	4.2
167.14378	1.9
171.11671	8.4
173.13277	7.1
175.14795	3.4
177.12750	4.7
179.14307	2.0
181.12202	5.4
183.13995	1.1
185.13239	4.2
187.13245	3.4
189.11182	3.7
189.12787	3.0
189.16385	1.5
191.14320	1.5
193.15804	1.5
195.13792	6.9
199.14870	2.8
203.12785	10.2
207.13799	1.3
207.17368	1.6
209.15401	2.4
213.16393	1.6
221.15340	2.0
235.16884	3.4
241.19528	8.0
249.22032	1.5
259.17981	2.3
259.20578	28.6
277.21625	100.0
278.17032	1.1
278.21893	1.5
295.09637	1.3
295.22665	60.5
296.22876	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03944	11.0
54.74739	1.8
55.01854	7.6
55.05272	2.5
55.05511	27.9
57.03428	2.7
57.07067	8.6
67.05502	55.0
68.05286	1.8
69.03426	3.0
69.07064	36.2
71.04984	3.1
71.08623	5.6
71.24774	4.2
71.25112	2.2
79.05494	37.3
81.03413	54.9
81.07056	53.8
83.04984	15.8
83.08617	18.6
85.02937	2.5
85.06515	2.6
85.10191	2.5
91.05474	24.5
93.06468	3.4
93.07037	49.6
95.04965	36.0
95.08604	31.4
97.06504	3.7
97.10166	10.1
99.08060	6.5
105.07021	25.5
107.04968	3.0
107.08599	28.7
107.80483	1.7
109.06520	10.1
109.10159	21.0
111.08050	5.8
113.09589	2.7
113.64494	1.8
117.07001	5.6
119.08587	14.0
121.06517	3.0
121.10146	13.8
123.08083	2.5
123.11703	11.6
125.09643	14.0
129.06966	2.4
131.08568	5.7
133.06435	2.2
133.10123	17.5
135.08026	3.5
135.11699	13.6
137.09602	3.3
139.11208	2.6
143.08568	3.8
145.10147	5.4
147.11708	15.3
149.13245	10.8
151.11188	31.8
153.09184	2.3
157.10104	4.2
159.11720	2.4
160.70537	2.2
161.13271	18.1
163.11182	2.0
163.14783	5.1
165.12750	8.0
171.11641	6.5
173.13268	3.2
175.09602	2.8
175.11128	3.2
175.14819	5.0
179.14279	6.2
185.13182	3.9
187.14772	2.8
189.11226	4.4
193.12234	4.6
199.46320	2.1
207.13849	4.5
217.19450	3.0
221.15367	3.5
231.21117	10.3
234.10504	2.8
235.16966	2.1
241.19501	7.2
249.22105	5.1
259.20709	11.3
265.12271	3.4
277.21628	100.0
295.13681	2.4
295.16949	6.6
295.22751	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03959	12.1
55.01862	3.4
55.05513	19.4
57.07079	3.2
67.05507	40.2
67.63374	2.4
69.03461	2.5
69.06727	2.7
69.07069	40.6
69.63637	15.1
70.85423	2.0
71.04971	3.4
71.08623	3.6
75.35031	2.3
79.05123	3.0
79.05497	33.3
81.03416	55.0
81.07058	42.5
83.04978	15.1
83.08627	13.1
88.81134	2.5
91.05499	19.2
93.07038	39.4
95.04967	32.4
95.08616	21.4
97.10149	8.1
105.07040	17.9
107.08603	23.4
109.06508	9.5
109.10154	10.5
117.07029	4.8
119.08593	10.3
121.10133	11.0
123.08041	2.7
123.11727	3.8
125.09631	5.0
131.08577	4.0
133.10133	13.6
133.10968	2.3
135.08060	5.4
135.11649	10.9
143.08499	3.7
145.10118	3.6
147.11697	15.3
149.09573	4.1
149.13231	6.3
151.11188	27.5
157.10152	3.5
161.13281	12.7
163.14775	4.8
165.12769	7.0
167.10696	2.1
171.11674	4.6
175.14836	3.7
177.12839	2.8
185.13284	5.4
185.17062	2.5
189.12741	3.6
207.13831	4.4
217.55728	2.3
221.15324	5.9
231.21117	6.3
241.19542	7.9
259.20596	6.1
277.21625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03932	4.1
53.12930	1.5
55.01870	7.0
55.05509	35.5
55.27397	1.2
57.03440	2.5
57.07064	5.0
65.03931	1.3
65.66318	1.2
67.05502	69.3
69.03412	2.7
69.07065	21.6
70.20863	3.7
70.21270	3.3
71.04970	3.0
71.08623	18.4
79.05054	2.8
79.05490	30.8
79.05951	1.5
81.03416	16.2
81.07055	40.5
83.04981	10.3
83.08617	24.7
85.06537	5.2
85.10191	2.1
91.05473	16.8
93.07037	34.1
95.04977	13.4
95.08606	22.7
97.06521	5.4
97.10165	28.7
99.08080	18.4
102.32815	1.3
103.43452	1.5
105.07011	13.0
107.04996	1.3
107.08582	27.4
109.06514	4.5
109.10152	22.7
111.08084	5.9
113.09639	2.5
115.22318	1.3
117.07019	5.2
119.08582	9.3
121.06464	1.4
121.10135	15.5
123.08079	2.5
123.11676	4.6
125.09635	23.9
126.15932	1.3
129.06935	2.2
131.08559	4.5
133.10104	11.8
135.08052	4.9
135.11679	15.5
137.05972	12.8
137.09601	2.6
138.06329	7.2
139.07596	1.8
145.10120	6.0
147.11690	9.6
149.09610	1.6
149.13266	10.5
151.11166	22.9
153.09140	2.2
159.11679	3.6
161.13229	11.9
163.11182	8.0
163.14795	3.3
165.12743	4.3
171.11655	4.9
173.13257	4.5
175.11134	2.7
175.14828	3.4
177.00406	1.7
179.14287	5.6
181.12254	2.7
185.13240	4.0
189.11208	26.6
189.12714	2.3
193.15880	2.2
195.13828	1.7
207.13805	1.7
221.15234	2.3
231.21005	3.1
235.16846	2.0
241.19550	7.4
249.22087	2.8
259.20615	17.4
276.83453	1.6
277.21609	100.0
278.21982	1.9
288.76776	1.4
295.17130	1.7
295.22650	18.4
295.27646	2.2
296.16437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.99483	2.6
53.03962	4.2
53.07404	2.5
55.01874	9.6
55.05511	30.4
57.03429	3.3
67.05505	61.5
69.03429	3.7
69.07068	83.6
70.07546	14.6
71.04988	7.5
71.08610	6.3
73.26043	2.7
74.55463	2.6
76.29726	2.9
78.21715	3.2
79.05500	42.2
81.03414	5.7
81.07056	100.0
83.04980	8.9
83.08620	16.7
85.06548	10.2
91.05488	25.6
93.07038	50.0
95.04978	7.2
95.08604	52.9
97.06519	20.0
97.10166	10.9
99.08086	19.5
105.07018	25.4
107.08589	36.4
109.06538	8.8
109.10143	16.6
111.08057	5.4
115.07587	6.5
117.07005	4.6
119.08592	21.5
121.10155	33.7
123.08085	10.1
123.11684	7.4
125.09644	23.7
129.07010	5.9
131.08598	6.8
133.10124	12.1
135.11696	37.2
137.13281	3.6
143.08571	4.3
145.10162	6.8
147.11699	31.2
149.09589	3.6
149.13261	10.5
151.11253	6.3
152.99931	3.0
159.11751	4.6
161.13222	14.0
163.03903	5.0
163.11183	6.3
163.14796	5.9
165.12784	6.9
165.45926	3.1
171.11736	7.9
173.13223	5.4
175.14854	7.7
179.14360	4.7
189.11113	4.4
189.12711	6.7
235.16850	4.4
241.19490	7.4
258.44928	2.6
259.20630	15.6
277.21646	84.8
295.22696	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03942	2.3
53.18276	1.0
55.01869	5.1
55.05263	2.1
55.05513	30.0
56.96553	3.5
57.03423	3.8
57.07084	9.7
65.03943	2.0
67.05506	53.6
69.03425	4.1
69.07066	17.7
71.04982	3.3
71.08636	42.4
71.58288	2.0
79.05497	26.5
81.03430	6.6
81.07059	38.8
83.04986	9.1
83.08615	21.4
85.02897	1.9
85.06540	11.6
85.10184	3.4
91.05485	15.7
92.05831	1.2
93.06465	1.9
93.07045	29.0
95.04969	7.6
95.08604	29.1
97.06544	6.3
97.10172	20.8
98.97585	1.2
99.08092	26.7
105.07030	14.2
107.04961	2.2
107.08600	24.0
109.06526	3.8
109.10159	22.0
111.08067	6.4
113.09652	4.2
117.07017	3.5
119.08574	12.0
121.06514	3.9
121.10153	16.0
123.08063	3.4
123.11700	4.4
125.09635	11.0
127.11202	2.4
129.06990	3.0
131.08565	4.5
133.10130	11.4
135.08075	3.4
135.11678	13.6
137.09601	3.1
137.13249	1.9
139.07590	1.7
139.11150	1.5
141.12733	5.8
143.08582	3.3
145.10118	8.1
147.08014	2.3
147.11736	6.4
149.09590	2.6
149.13272	7.9
151.11205	10.4
153.09087	1.7
153.12733	2.8
157.10121	2.7
159.11702	4.7
161.09587	1.6
161.13266	7.7
163.03909	5.0
163.11208	11.6
163.14857	2.6
165.12767	6.2
169.12250	7.3
171.11705	3.9
173.11862	1.3
173.13309	2.7
175.09717	2.6
175.14845	2.3
177.12657	2.6
179.14279	5.3
181.12228	2.5
185.13284	2.8
189.11194	5.0
189.12762	1.3
193.12230	1.3
193.15982	2.2
199.14812	2.1
203.12723	1.6
207.13791	1.4
221.15376	3.3
231.21082	2.6
235.17079	1.6
237.02776	1.4
241.19516	4.6
249.22188	1.6
250.09889	2.6
252.10199	1.8
259.20618	8.7
265.12296	2.7
265.15244	1.2
277.21631	62.1
280.07520	1.2
295.05902	2.0
295.17047	7.2
295.22699	100.0
296.23074	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03947	4.8
54.17012	1.7
55.01874	2.5
55.05511	20.2
57.03437	4.1
57.07075	2.3
60.35031	1.9
65.03914	1.9
67.05506	63.8
68.30021	1.6
69.03435	3.5
69.07071	21.7
69.16246	1.6
69.87746	7.4
69.88161	3.2
71.04999	9.5
71.08600	1.7
71.61581	1.5
79.05498	43.6
81.06583	3.2
81.07059	62.2
83.04987	10.1
83.08621	32.6
85.02904	6.7
85.06553	8.7
91.05486	24.2
93.07048	53.6
95.04977	7.7
95.08607	45.2
96.16677	1.8
97.02881	11.0
97.06537	10.2
97.10170	5.0
99.08094	7.2
105.04502	2.0
105.07042	20.5
107.05000	3.1
107.08601	30.1
109.06494	3.0
109.10155	17.8
111.04481	3.4
111.08067	9.3
117.07034	6.3
119.08584	21.0
121.10146	74.9
123.08044	5.4
123.11702	5.0
125.09613	5.5
129.07021	3.2
131.08586	8.1
133.06454	1.7
133.10135	17.5
135.04395	5.0
135.08060	2.8
135.11694	46.9
137.09624	6.9
137.13293	2.0
139.11150	3.0
139.30318	1.6
145.02861	1.9
145.10143	7.9
147.11688	13.3
149.09633	6.5
149.13277	12.2
151.11174	3.5
157.10101	2.8
159.11693	8.7
161.09579	2.4
161.13254	12.8
163.03903	26.7
163.11192	10.5
163.14812	3.8
165.12769	3.6
167.14467	2.1
171.11710	2.9
173.13297	3.7
175.14746	4.5
177.12712	4.6
179.14330	9.9
181.12254	5.3
185.13286	4.7
195.13806	5.8
197.13269	1.8
221.15359	6.5
231.21127	2.2
241.19492	10.9
249.22070	3.7
259.20590	19.0
261.63910	1.9
277.21643	100.0
277.26840	14.5
278.22040	3.0
295.19278	4.5
295.22592	23.8
295.28149	3.7
296.29715	2.2
308.17087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01863	3.6
55.05514	100.0
57.07063	4.1
65.03931	1.4
67.05165	2.1
67.05505	17.5
69.07068	10.5
71.04992	12.1
71.08636	1.5
71.34216	3.1
79.05499	19.5
81.03413	2.3
81.07061	28.9
83.04984	4.3
83.08619	58.6
85.06538	1.3
91.05487	18.5
91.06024	2.0
93.06473	2.1
93.07046	35.1
95.04972	15.9
95.08605	21.5
97.06525	27.4
97.10156	6.0
99.08086	1.9
103.05478	1.6
105.06384	2.3
105.07037	32.0
106.60522	1.2
107.08603	14.9
109.06509	4.5
109.10173	10.7
111.08093	2.4
115.05452	2.6
117.06990	6.4
119.08583	30.1
121.06524	9.4
121.10137	14.2
123.08050	4.5
123.11712	2.0
125.09644	4.3
128.06216	2.4
129.07007	7.4
131.08582	15.3
133.10135	42.6
135.11697	5.1
137.09650	1.4
138.45357	1.4
141.07011	3.0
142.07738	6.4
143.08575	14.0
144.09349	3.9
145.10126	23.2
147.08083	1.7
147.11684	5.6
149.09586	3.9
153.06915	1.7
155.08588	6.8
156.09373	7.1
157.10138	14.7
158.10916	9.8
159.11725	12.0
161.09634	2.6
161.13232	3.0
165.01897	1.8
165.06990	2.2
166.07741	1.3
167.08487	3.4
168.09363	1.4
169.10133	9.7
170.10875	4.0
171.11668	14.6
173.09781	2.8
173.13258	37.3
173.14690	2.6
173.48930	1.4
175.11160	3.1
175.14841	4.6
177.12854	1.9
179.08638	1.5
181.10130	4.7
182.10944	2.8
183.11742	7.0
185.13245	6.7
186.14018	3.8
187.14807	5.1
189.11172	2.9
191.08493	1.6
192.09341	1.6
193.10184	2.7
195.11757	3.6
195.13811	10.3
196.12445	3.1
197.13274	9.0
199.14796	10.2
206.10864	2.3
207.11674	4.2
209.13245	5.2
211.14876	7.6
212.15428	1.5
213.14844	28.9
215.14323	1.5
219.11749	1.6
221.13235	6.1
223.14720	1.9
234.10233	1.5
234.14043	1.5
235.14861	2.6
237.16347	1.6
239.14397	2.2
247.14941	3.1
249.16418	2.9
251.17770	1.6
252.18245	1.2
265.12253	3.4
267.20975	2.1
277.15854	2.9
277.18973	1.9
277.21680	5.6
292.77850	1.6
295.13641	2.2
295.16830	7.4
295.20453	18.3
295.22821	20.1
296.16611	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1904
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03938	1.0
55.01860	5.3
55.05513	5.0
56.96558	0.9
57.07049	1.1
58.33963	0.6
64.57975	0.6
67.05506	7.5
68.33170	0.6
69.07069	5.1
71.08624	1.5
71.58902	0.9
71.59268	0.9
79.05482	5.6
81.07058	31.2
82.94120	0.6
83.04968	1.6
83.08606	2.8
91.05476	2.9
93.07037	4.9
95.04954	1.1
95.08611	7.1
97.02885	0.7
97.06516	1.9
97.10178	0.9
97.30980	0.6
99.08080	0.8
101.09651	1.1
105.07047	3.7
107.08609	4.1
109.06512	14.1
109.10140	3.5
111.04446	11.0
111.08094	1.1
119.08621	4.3
121.10139	4.0
123.07984	1.3
123.11685	1.4
125.05993	5.5
131.08569	2.2
133.10138	5.0
135.08057	2.6
135.11702	4.0
136.98032	0.6
137.05977	100.0
137.13223	1.9
138.06335	2.0
139.07553	0.6
145.10126	1.1
147.08023	1.2
147.11713	4.4
149.09656	3.1
149.13232	1.2
151.07568	3.2
151.11186	1.1
157.10153	1.7
159.11708	1.1
161.09592	3.8
161.13271	2.8
161.32187	0.6
162.43855	0.6
163.03912	2.4
163.11165	2.9
165.09178	1.7
167.10721	1.0
171.11726	1.5
173.13164	1.0
175.11197	3.4
175.14841	1.1
177.12621	0.8
179.10719	1.8
189.12822	1.6
193.12257	1.3
203.17963	6.9
205.19550	0.7
213.16423	2.6
221.18993	2.0
231.17441	9.3
241.15837	1.2
249.16141	1.0
249.18527	11.0
259.20523	1.1
277.18002	48.5
277.21240	2.8
278.18420	0.8
295.19128	10.3
319.06985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
56.05006	0.3
56.96545	1.0
57.03455	0.5
57.07074	0.5
57.95950	0.2
61.02916	0.3
61.05725	0.3
65.03926	0.3
67.05496	0.5
69.03437	2.0
69.07058	0.9
70.06577	0.3
71.04990	0.8
71.57484	0.3
71.57871	0.4
72.08154	0.4
74.02429	0.8
79.05470	0.8
81.03409	0.6
81.07054	1.3
83.04977	0.5
83.91618	0.2
84.04487	0.6
84.08143	0.6
85.02892	1.3
86.09203	0.5
86.09706	6.2
87.04457	0.9
88.03980	0.4
91.05481	19.6
91.54434	0.2
93.07034	1.3
95.04927	0.5
95.08590	0.8
97.02894	2.1
98.11444	0.2
98.97588	0.5
99.04465	0.3
102.05544	0.5
103.03968	0.3
103.05447	1.0
105.07024	0.6
107.04946	1.1
107.08591	1.0
109.06512	0.5
109.10119	0.4
111.04420	0.3
115.03967	0.9
118.03796	0.3
118.06572	1.2
119.04943	14.9
119.08555	0.4
120.05241	0.3
120.08105	12.1
121.06507	2.4
121.10184	0.3
124.93753	0.5
127.03923	0.6
129.10217	0.6
130.08624	0.8
131.04939	0.3
132.10181	2.2
133.04970	0.9
133.10159	0.7
134.08104	0.4
135.11710	0.6
136.07576	100.0
137.07907	1.0
137.93056	0.3
143.00114	0.3
143.08556	0.3
145.02852	0.3
145.05023	0.6
147.04318	1.3
148.06082	0.6
150.07739	0.4
150.96935	0.3
153.12741	0.4
157.10065	0.3
161.01160	0.3
161.06007	0.7
161.09692	0.3
162.04112	0.7
163.03914	0.8
171.11737	0.3
177.05486	0.4
182.40169	0.3
202.58232	0.3
204.04303	0.3
204.06535	0.2
211.05917	1.4
214.06758	0.4
221.05978	0.9
249.05428	0.3
249.07593	2.2
249.15961	1.7
250.14482	0.7
277.06955	1.5
277.21457	0.2
278.13879	1.4
286.09006	0.6
295.06503	1.4
295.09396	0.3
295.16510	8.0
296.08276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1653
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
50.58321	0.3
53.03944	0.4
55.01866	0.4
55.05501	0.9
56.05021	0.4
56.96561	1.0
57.03427	2.8
57.07066	0.4
61.02913	1.0
65.03940	0.4
67.05494	0.8
69.03422	3.4
69.07069	1.9
70.06588	1.5
71.04983	1.4
71.08620	0.4
71.58087	0.4
71.58497	0.4
72.08156	0.5
73.02917	3.4
74.02430	0.6
79.05484	1.5
81.03409	1.0
81.07067	1.9
83.04977	1.1
84.04493	0.9
84.08147	1.7
85.02905	5.6
86.09708	5.1
87.04457	0.8
91.05482	21.2
93.07035	2.5
95.04965	1.0
95.08592	1.2
97.02891	7.4
97.06526	0.5
98.97596	0.8
99.04462	1.0
102.09206	0.3
103.03953	0.4
103.05474	0.5
105.07024	3.0
107.04964	1.2
107.08592	1.2
109.02863	0.8
109.06517	0.8
109.10101	0.8
111.04408	0.4
112.64480	0.3
115.03933	2.5
116.98618	0.5
117.03380	0.5
118.06577	0.7
119.04947	15.6
119.08578	1.1
120.08140	0.6
121.06519	3.2
121.10146	0.9
123.04443	0.5
123.11674	0.4
124.93762	0.4
127.03923	1.3
128.07083	1.0
128.98685	0.3
129.07147	0.3
129.10213	0.7
130.08664	0.5
131.04944	0.5
131.08575	1.4
132.10214	2.0
133.04973	1.2
133.06532	0.7
133.10138	2.2
135.04431	1.4
135.11674	0.9
136.07578	100.0
137.07956	0.8
139.05188	0.4
143.01764	0.3
143.08568	0.5
144.06483	0.3
145.02847	0.9
145.04947	1.4
145.10086	0.8
147.04436	0.8
147.08037	0.5
147.11711	0.8
150.07706	0.8
151.03932	0.3
151.11182	0.9
153.12744	0.5
157.10106	0.8
160.03894	1.0
161.01190	0.5
161.06027	0.8
161.09694	0.5
163.03922	7.1
163.06174	0.5
163.11165	1.1
165.05571	0.3
165.06981	0.9
169.04440	0.5
171.11644	0.4
173.09557	0.4
175.11105	0.6
177.00725	0.5
181.04930	0.4
187.11127	0.4
202.06834	0.3
211.06035	1.1
214.35474	0.3
221.05911	2.5
221.07770	0.4
241.07263	0.4
249.05475	1.4
249.07701	1.6
249.16060	2.0
250.14375	0.7
252.09361	1.1
259.08469	0.4
277.06982	0.8
277.14468	1.3
278.13870	1.7
286.09128	0.3
295.06100	3.9
295.09485	0.6
295.16568	9.2
296.08249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14408	0.2
52.95649	0.2
53.03966	0.3
55.05502	0.4
57.07072	60.0
58.07418	0.3
59.35534	0.2
67.01865	5.9
67.05509	0.4
68.99779	0.2
69.17564	0.2
71.04988	1.3
71.08656	0.2
71.59969	0.4
76.33537	0.2
78.67990	0.2
79.05515	0.3
79.86913	0.2
81.03412	1.3
81.07041	0.5
85.02910	0.6
85.06539	53.5
93.07049	0.3
95.04959	0.2
95.08591	0.4
98.21307	0.2
99.04457	2.4
107.08574	0.3
109.02872	1.0
109.10159	0.4
116.66934	0.2
119.08557	0.3
121.10097	0.3
127.03912	26.6
138.00955	0.2
141.09128	0.3
143.08594	0.2
145.30751	0.2
157.10088	0.3
159.11618	0.3
165.09184	0.2
176.81064	0.2
207.11703	0.3
211.09644	100.0
212.09962	0.9
277.21597	0.6
295.15979	0.7
295.16507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.04773	1.9
53.03940	3.3
55.01873	3.3
55.05496	8.0
56.96559	4.9
57.03442	17.6
59.04991	3.5
61.02922	2.9
63.59415	2.0
63.92339	1.9
67.05499	9.9
67.38798	2.1
68.29857	1.9
69.03436	100.0
69.07056	7.5
69.93897	8.2
69.94302	3.6
71.01368	2.4
71.04986	7.2
73.02917	6.6
75.04469	2.6
79.05509	5.4
81.03416	19.9
81.07066	14.3
83.04980	4.7
83.08615	2.1
85.02910	53.7
85.06538	3.7
87.04477	27.8
91.05495	6.7
93.07043	7.5
94.01944	2.0
95.04974	8.4
95.08621	12.4
97.02898	64.1
97.06509	2.4
97.10166	2.6
98.97581	13.0
99.04446	18.5
101.02374	2.4
103.03952	9.2
105.07048	4.7
107.04973	5.2
107.08608	8.6
108.08145	2.7
109.02882	9.3
109.06568	2.7
109.10149	8.5
111.04418	3.5
113.02332	2.1
115.03934	46.8
116.98627	8.5
117.05482	2.4
119.08587	9.7
121.06533	4.7
121.10133	5.7
123.04414	5.7
123.08084	3.0
125.09654	2.2
127.03889	17.9
129.06982	2.8
131.08611	4.3
133.04967	46.4
133.06499	2.7
133.10135	2.5
134.99638	4.7
135.04422	6.7
135.11708	3.8
137.06013	2.3
139.11140	3.0
145.02841	6.1
145.04977	31.7
145.10205	3.3
147.04413	4.6
147.07990	2.4
149.05992	11.5
151.03931	4.8
157.04994	2.5
157.10155	2.4
158.99617	4.0
159.11710	5.0
161.04495	4.7
163.03914	25.1
163.11121	2.7
169.04985	8.1
177.00751	4.3
177.05432	5.4
177.12810	2.5
181.05032	3.1
188.07283	2.6
189.00716	2.5
205.07098	4.6
207.09895	2.3
208.09792	2.4
211.06017	5.5
229.07137	3.4
241.07100	9.2
249.07648	6.2
259.08130	7.2
274.09436	17.5
274.12021	7.0
274.59738	5.6
274.62280	3.2
275.10837	2.2
277.09348	15.2
277.14383	2.3
283.10104	7.1
294.60922	4.1
295.06082	2.1
295.10107	8.1
295.17062	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	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03946	2.9
55.01862	3.5
55.05498	3.7
56.96546	1.6
57.03434	22.3
57.31704	1.0
57.61616	0.9
59.04991	3.6
60.65599	0.8
61.02922	3.7
67.05506	5.0
69.03430	100.0
69.07052	3.0
71.01353	2.1
71.04975	2.7
71.58567	1.8
72.08135	1.0
73.02918	9.9
74.02422	1.5
75.04471	3.4
79.05476	4.1
81.03412	17.6
81.07050	5.8
83.01325	1.6
83.04972	4.5
83.08607	1.1
84.08177	1.6
85.02904	59.0
86.03204	1.3
86.09718	7.4
87.04469	51.4
91.03959	1.8
91.05484	25.1
93.07049	4.8
95.04983	4.7
95.08588	4.1
97.02889	63.3
97.06554	1.3
97.10154	2.5
98.97539	2.4
99.04453	13.3
101.02343	1.5
103.03950	10.2
103.05462	1.9
103.96407	1.1
105.07044	7.0
107.04954	4.1
107.08596	3.0
109.02876	6.1
109.06513	2.8
109.10144	2.7
111.04440	3.4
113.02378	1.9
115.03929	65.7
116.98619	1.9
117.03378	1.1
117.05479	3.2
117.07009	2.1
119.04935	15.6
119.08598	2.9
120.08087	10.8
121.06478	4.8
121.10166	2.0
123.04438	4.9
123.11671	1.6
125.02332	1.1
125.06033	1.1
127.03928	14.1
129.05537	1.0
129.06985	1.5
131.04904	1.9
131.08548	2.5
132.10191	2.2
133.04961	68.1
133.06551	2.3
133.10074	4.6
134.99611	1.6
135.04376	4.2
135.08034	1.1
135.11710	1.6
136.06276	3.1
136.07576	96.7
137.05956	1.5
137.07896	1.0
139.03880	2.8
141.05452	1.6
143.03355	1.3
145.02872	3.8
145.04953	26.7
145.10103	2.5
147.04436	4.6
147.06540	0.9
149.05963	1.9
150.07755	1.0
151.03894	3.7
151.05989	1.3
157.04938	1.7
158.99626	1.2
159.04369	1.4
159.08113	1.1
159.11673	2.1
161.04506	2.8
161.05980	2.4
162.04123	1.4
163.03937	6.0
163.06021	1.2
165.05487	2.9
166.08675	3.2
167.07068	1.5
169.04997	8.1
175.11218	1.3
177.00693	1.7
177.05487	10.8
181.04926	1.6
187.05978	2.2
193.04976	2.4
195.06442	1.9
205.07149	1.6
211.06009	8.0
213.57208	1.1
223.06032	1.1
229.06934	2.5
241.07037	6.6
249.05254	1.6
249.07507	8.1
249.12201	1.6
249.16026	2.5
250.14450	1.1
259.08096	3.5
259.13382	1.4
277.06989	5.0
277.09625	8.0
277.15222	1.4
278.13809	1.7
294.66129	1.0
295.12781	1.5
295.16330	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	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03944	2.4
55.01862	2.5
55.05492	2.7
57.03439	24.6
57.07073	1.0
59.04990	3.5
61.02913	3.6
63.37683	0.8
65.03934	0.9
67.05495	2.7
69.03432	100.0
69.07054	1.7
70.98922	2.6
71.01348	3.3
71.04985	3.5
73.02917	8.4
75.04478	3.2
79.05494	2.4
81.03427	13.9
81.07045	3.3
83.01357	1.4
83.04969	3.9
85.02907	56.8
86.09718	0.8
87.04472	43.8
91.03976	1.4
91.05486	5.9
93.07028	2.4
95.04956	2.6
95.08593	2.8
97.02896	60.6
97.10162	1.7
99.04465	14.6
101.02375	1.3
103.03946	9.7
105.07066	0.9
107.04965	1.1
107.08578	1.2
109.02866	4.4
111.04438	3.0
113.02329	1.3
113.14052	1.0
115.03935	62.3
117.05505	2.7
117.06995	1.0
119.08568	1.0
120.08057	1.4
121.06520	0.8
123.04452	4.4
125.02422	1.1
125.05927	0.8
127.03915	13.3
131.04910	1.3
133.04968	59.8
134.05307	1.2
134.74237	0.8
135.04390	1.1
135.11722	1.3
136.07593	1.0
136.12094	1.3
137.05962	1.2
139.03899	2.0
143.03342	1.5
145.04959	25.6
147.04370	2.0
151.03847	2.4
154.13130	1.0
157.04964	1.5
161.04482	2.5
163.03940	1.3
163.06030	1.0
165.05399	1.5
169.04909	7.0
174.07816	0.8
175.06033	0.9
175.07642	1.1
177.05476	2.2
181.04913	1.8
187.06100	1.5
193.04984	1.1
199.06004	0.9
205.06961	1.5
211.05998	2.7
217.07021	1.2
223.05948	1.7
227.69693	1.0
229.07111	2.3
241.07072	4.3
244.89191	0.9
249.07593	1.3
259.08167	3.9
277.09311	9.1
295.06381	2.1
295.09952	4.0
295.13055	1.4
295.16342	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0812
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
53.86432	1.4
55.01862	4.6
55.05489	2.1
56.96555	4.9
57.03425	5.3
67.05494	3.3
69.03429	15.1
69.07058	3.6
70.06594	1.4
71.04971	1.6
71.58015	1.8
73.02919	8.6
79.05495	11.5
81.03412	2.2
81.07042	6.7
83.04986	1.3
83.08575	1.2
85.02898	12.2
86.09693	4.8
87.04446	4.5
91.05491	6.4
93.07018	4.9
95.04950	5.3
95.08636	3.1
97.02888	13.4
97.10155	2.3
103.05461	5.1
105.07034	9.0
107.04960	14.7
107.08585	4.8
109.06523	2.3
109.10123	1.9
111.04434	2.3
115.03937	9.2
117.07045	1.5
119.04918	3.1
119.08586	2.3
120.08103	3.8
121.02848	2.1
123.04433	2.0
123.11710	2.0
124.05212	1.6
125.05992	1.6
127.03850	2.3
131.04922	10.9
131.08568	2.9
133.05002	6.3
133.06471	4.2
133.10130	3.0
135.04393	2.0
135.08130	1.4
135.11595	2.1
136.07558	2.6
137.05989	3.9
140.16827	1.5
143.00188	4.0
145.04988	2.8
145.10124	2.0
146.03662	2.3
147.04437	3.3
149.09608	1.3
151.07622	1.6
153.95114	1.4
157.10010	1.6
159.11679	2.6
160.05231	2.2
161.01250	6.4
161.05994	18.1
163.03899	3.1
163.07420	1.6
165.05486	8.0
165.06831	2.4
167.07071	1.5
168.04123	2.2
176.04680	1.8
177.05530	2.4
181.04921	1.2
184.61597	1.4
187.03938	1.9
188.04747	2.7
191.07043	3.6
191.10779	1.7
193.05038	6.5
193.08612	1.4
193.10229	1.6
193.12189	1.4
204.04205	3.7
205.04892	2.5
207.06493	2.3
207.08148	1.4
211.06004	53.0
216.04236	1.5
219.02867	5.4
219.06554	8.4
221.03819	1.6
221.05957	10.1
221.08112	6.3
233.04462	2.2
233.08165	2.5
234.05206	3.9
235.07544	3.0
249.02814	7.5
249.07584	100.0
267.03915	5.9
267.10159	3.7
272.04260	2.7
277.07056	73.7
277.14243	2.6
277.21710	2.0
290.05542	1.6
295.05975	13.2
295.09424	8.3
295.15594	4.0
295.22571	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01872	0.6
55.05511	0.8
55.05764	0.2
56.96581	0.3
57.03437	0.7
57.07069	0.3
65.03941	0.4
67.05508	3.0
69.03434	4.7
69.07070	0.6
69.37367	2.3
71.05000	0.7
71.08646	0.6
73.02929	0.3
79.05495	2.2
81.03404	0.7
81.07055	2.2
83.04967	0.6
83.08636	0.5
85.02908	1.9
85.06544	2.5
87.04460	0.7
89.03918	5.7
90.41665	0.2
91.05482	1.6
93.07053	2.6
95.04977	1.6
95.08610	2.1
97.02895	55.6
97.06529	0.4
98.20744	0.4
99.04469	0.4
104.46278	0.3
105.07036	1.8
107.04962	2.8
107.08611	1.5
109.02894	0.4
109.06534	0.4
109.10168	1.1
111.08073	0.3
115.03949	1.6
115.04622	0.3
117.03391	7.2
117.07077	0.4
119.08590	1.4
121.06493	0.7
121.10151	1.0
123.04424	0.4
123.11710	0.4
125.09593	0.5
127.03933	0.5
129.06984	0.6
131.08591	0.3
133.04945	1.1
133.06512	0.3
133.10129	1.0
135.04424	18.3
135.07993	0.3
135.11650	0.5
136.04698	0.3
137.02338	0.3
137.09642	0.3
137.13268	0.3
141.06966	0.3
143.08545	0.5
145.02846	13.3
145.10130	0.5
147.04387	0.3
147.08058	0.5
147.11713	0.6
149.02370	0.4
149.09573	0.5
149.13293	0.4
151.11133	0.4
157.06531	0.3
157.10146	0.6
158.99768	0.3
159.11702	0.5
161.13271	0.8
163.03909	100.0
164.04250	1.2
167.03424	0.6
169.08589	0.5
171.11674	0.2
173.13210	0.2
175.07550	1.2
175.14873	0.4
177.05547	0.2
177.12701	0.3
179.14244	0.4
181.04987	1.0
185.05975	0.7
185.13242	0.3
186.05455	0.7
203.07053	0.6
203.14363	0.6
213.05481	0.4
221.05965	0.6
221.07962	0.3
221.15431	0.3
231.06523	1.3
240.89531	0.3
259.05954	0.9
259.08411	0.3
263.06964	0.6
277.06989	1.7
277.21606	1.0
280.07037	0.3
282.27856	0.3
284.10562	0.2
295.05313	0.4
295.08066	2.9
295.15417	0.2
295.19037	1.7
295.22540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0812
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
55.01880	0.8
55.05513	1.0
56.08879	0.5
56.96564	0.4
57.03430	0.7
65.03924	0.6
67.05506	5.1
67.11629	0.4
67.60114	0.4
67.60489	0.4
69.03434	3.1
69.07053	0.9
71.04999	0.8
71.08620	0.6
71.59487	0.6
71.59864	0.6
73.02882	0.6
79.05492	2.2
81.03410	1.0
81.07058	3.3
83.04974	0.4
83.08627	0.6
85.02906	1.3
85.06545	1.1
89.03912	5.8
91.05482	2.3
93.07053	2.7
95.04973	8.0
95.08619	2.1
97.02892	73.5
97.06508	0.9
97.10196	0.6
98.03239	0.5
99.04409	0.5
99.08086	0.6
105.07024	1.7
107.04932	1.7
107.08589	2.0
109.02892	0.7
109.06564	0.8
109.10159	1.2
111.04461	0.6
115.03934	1.1
117.03381	8.2
117.07050	0.9
119.08600	2.2
121.06470	0.6
121.10144	1.0
123.04478	0.6
123.11683	0.7
125.02342	0.7
129.07001	1.8
131.08562	1.0
133.10162	0.9
135.04416	18.7
135.11729	0.8
137.02350	0.5
137.09595	0.8
145.02846	11.7
145.03976	0.7
147.04382	0.5
147.08003	0.7
147.11699	0.7
149.02379	0.6
149.09604	0.5
157.06444	0.8
161.09564	0.6
163.03905	100.0
164.04282	0.8
165.01865	1.9
167.03418	0.8
175.04178	0.5
175.07573	2.7
177.12698	0.5
181.04980	0.6
185.05986	1.5
203.06978	1.5
221.06033	0.6
221.08113	1.4
231.06458	2.5
259.05927	1.2
277.07080	3.5
277.14291	0.7
277.21558	1.9
295.08414	2.2
295.15448	0.9
295.22711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02396	0.4
53.03942	0.5
55.01855	0.6
55.05511	1.3
56.96571	0.5
57.03436	1.1
59.04986	0.4
65.03952	0.5
65.51810	0.3
67.05500	3.2
69.03427	4.0
69.07062	2.2
69.59193	1.3
69.59615	1.8
71.05000	0.9
73.02908	0.4
79.05483	2.7
81.03408	1.1
81.07058	3.8
83.04964	0.4
83.08612	0.6
85.02905	1.7
85.06544	4.7
87.04469	0.6
89.03911	4.6
91.05474	1.8
93.07040	4.0
95.05001	1.8
95.08596	3.5
97.02888	57.3
97.06567	0.7
98.20747	0.8
103.03944	0.5
105.07018	2.5
107.04972	2.1
107.08587	2.7
109.06511	0.9
109.10152	1.2
111.04433	0.9
111.08073	0.5
115.03931	1.5
117.03382	7.6
117.07037	0.7
119.08556	2.3
121.06497	0.9
121.10151	1.7
123.04382	0.5
123.08044	0.9
123.11737	0.9
125.09592	0.7
128.06313	0.4
129.06992	0.9
131.08578	0.9
133.04964	0.9
133.10165	1.2
135.04414	17.0
135.08008	0.4
135.11685	0.9
136.04610	0.6
137.13313	0.5
139.03932	0.5
143.08580	0.7
145.02840	13.1
145.10129	0.6
147.11638	0.7
149.09619	0.5
151.11234	0.4
151.25060	0.4
157.10112	0.6
161.09583	0.4
161.13260	1.0
163.03897	100.0
164.04248	1.1
167.03351	0.6
169.08598	1.1
172.61133	0.5
175.07545	1.3
175.11166	0.5
175.14832	1.1
181.04935	0.9
185.06024	0.4
185.13304	0.9
195.10170	0.6
203.07115	0.7
203.14291	0.9
205.62648	0.4
213.05458	0.6
221.06116	0.9
231.06535	1.6
242.94376	0.4
249.05469	0.4
259.05960	1.1
263.06955	0.5
264.30258	0.4
277.07056	2.1
277.14816	0.4
277.21649	1.1
277.25275	0.5
295.05484	1.0
295.08374	2.0
295.15262	1.3
295.19077	2.9
295.22452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05496	0.8
57.07060	0.8
67.05507	1.3
69.07051	0.8
70.65520	0.7
71.08624	0.5
79.05476	1.3
81.07056	2.6
82.07377	0.3
83.04954	0.4
83.08627	0.5
85.06535	0.3
91.05470	1.1
93.07041	1.0
94.04172	1.5
95.04964	0.4
95.08601	0.8
97.06503	0.3
100.07586	0.3
105.07030	0.5
106.07324	0.4
107.04948	0.3
107.08572	0.7
108.08921	0.5
109.10172	0.3
119.08613	0.3
120.08899	0.3
120.13165	0.2
121.10189	0.4
122.03640	6.1
123.08054	0.3
123.11716	1.7
131.08557	0.4
133.10165	0.3
137.05968	100.0
138.06299	1.9
139.11122	0.3
139.15511	0.2
145.10086	0.4
151.11165	0.3
158.15373	1.2
163.03914	0.4
170.15408	2.3
254.10858	0.3
258.19235	0.3
276.20325	1.3
277.21585	0.4
294.21341	1.3
294.27997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.02384	0.2
53.03925	0.3
55.01869	0.5
55.05501	0.6
57.07064	1.0
67.05506	1.4
69.07059	0.7
71.04984	0.2
71.08632	1.6
78.01626	0.3
79.05494	1.1
81.07066	1.6
83.04977	0.3
83.08606	0.6
91.05468	1.0
93.07028	0.8
94.04203	1.8
95.04930	0.4
95.08585	0.8
97.10163	0.8
98.20761	0.4
105.07024	0.6
107.08578	0.9
108.08937	0.3
109.10174	0.6
111.08067	0.5
119.08604	0.5
122.02842	0.5
122.03648	5.3
125.09615	0.4
133.30933	0.3
137.05974	100.0
138.06300	1.3
141.12750	2.5
149.09615	0.3
158.15410	1.2
170.15462	0.8
189.18372	0.2
196.08672	0.3
258.19275	0.3
276.20413	0.8
277.21603	0.8
285.59143	0.3
294.20801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05502	3.0
57.07078	1.5
58.06600	1.1
59.06104	1.4
60.04527	5.2
60.08170	9.1
63.37685	0.8
67.05511	6.2
69.03419	2.2
69.07072	14.1
69.84959	5.2
70.06587	3.6
71.04998	6.8
75.70350	0.9
79.05486	5.6
81.07059	34.1
82.06593	1.8
84.08155	2.1
86.09711	10.6
91.05476	2.9
93.07046	24.3
95.08615	12.1
96.08121	2.4
97.02901	6.3
97.06506	2.0
98.09703	4.4
98.20868	1.1
98.98493	1.9
105.07026	3.1
107.08596	12.8
108.08138	1.2
109.10136	4.9
110.09702	1.9
111.08099	5.5
121.10143	1.9
123.11706	5.1
124.11244	7.4
133.10074	1.4
135.10660	1.3
135.11693	12.6
136.11221	1.8
137.13245	5.9
138.05464	1.2
138.12773	3.2
150.12781	1.5
152.14365	12.5
153.12756	16.8
154.94119	1.1
161.13304	1.0
172.67081	0.8
172.95255	2.3
174.07634	17.1
174.13617	1.1
178.15884	9.0
190.96249	1.7
196.17021	2.7
197.11067	0.9
209.05751	3.8
214.17989	1.2
235.00987	0.9
236.10490	4.0
250.12032	12.9
251.10481	1.1
252.91925	2.1
267.99146	1.1
270.92883	2.7
276.13632	10.2
294.09988	4.8
294.14667	100.0
295.14984	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.82170	1.0
53.03930	1.6
55.01866	2.8
55.05270	1.6
55.05514	24.2
57.03432	1.8
57.07079	20.4
57.90082	1.2
59.04983	2.8
63.80916	1.0
67.05178	2.1
67.05509	33.1
68.05818	1.2
68.12919	1.2
69.03412	3.3
69.07071	55.8
70.81853	3.1
71.04980	3.8
71.08637	10.0
75.04454	1.2
79.05495	12.6
81.07061	94.3
83.04983	2.5
83.08146	1.9
83.08622	32.7
85.02897	4.5
85.06554	13.7
85.10165	3.7
90.01449	1.1
91.05487	10.1
93.07053	26.2
95.04979	4.1
95.08611	100.0
96.08951	1.9
97.02903	6.1
97.06538	5.4
97.09548	1.4
97.10175	19.8
99.08085	9.8
105.07000	6.5
107.08601	29.4
109.06521	2.9
109.10162	57.9
110.10437	1.4
111.04408	1.9
111.08086	10.7
111.11711	13.1
113.09647	1.4
117.06999	1.4
119.08581	5.3
121.06514	1.7
121.10162	15.6
123.11710	42.8
125.09590	4.0
125.13261	6.8
129.07002	2.4
131.08557	4.1
133.10117	3.0
135.11723	10.8
137.13258	34.7
138.13626	1.8
139.11203	2.1
139.14830	1.6
145.10184	1.3
147.04340	1.5
149.13271	25.8
151.07524	1.4
151.14836	8.0
153.12744	2.4
155.14301	1.2
163.07538	1.5
163.11224	1.3
163.14825	8.3
165.16370	4.8
167.14340	15.7
169.15791	1.3
177.09149	1.4
177.16319	3.1
179.17952	3.7
191.18005	1.5
193.08809	1.1
193.19540	3.9
205.19615	2.0
219.21046	2.9
223.20441	1.5
229.15852	1.4
249.25772	1.8
257.15408	1.8
265.12149	4.7
275.16391	4.2
275.19455	1.1
275.27383	9.9
293.11630	5.1
293.17514	8.9
293.21106	2.6
293.28381	59.0
294.28632	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	293.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18306	46.3
56.24246	44.5
67.05487	100.0
67.57378	41.1
70.07729	38.2
70.88631	84.2
81.07069	92.0
99.67016	59.9
117.16402	55.7
127.03085	45.9
133.01320	53.6
156.69464	50.3
221.64525	43.6
293.10071	77.0
302.92017	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01871	4.5
55.05511	43.9
57.07081	9.2
57.49026	2.1
59.05000	3.9
65.03944	3.0
67.05508	40.1
69.03423	5.0
69.07071	31.8
71.04978	6.4
71.08632	2.3
71.10587	1.6
71.60339	3.5
79.05497	47.0
81.03412	3.5
81.07056	49.7
83.04983	15.2
83.08625	22.6
85.06544	6.0
89.51112	2.0
91.05488	23.8
93.07043	46.8
95.04990	7.3
95.08611	48.2
95.09227	2.5
97.06525	10.1
97.10178	14.4
99.08097	4.0
105.07035	38.4
107.04964	16.8
107.08598	66.8
109.06526	6.6
109.10157	47.3
111.08089	5.1
111.11744	3.2
117.07069	9.4
119.07789	2.7
119.08592	33.8
121.06500	18.8
121.10143	43.5
123.08077	10.7
123.11707	18.4
125.09618	11.7
131.08582	14.9
133.10135	33.8
135.08067	20.8
135.11694	33.8
136.76884	1.6
137.09608	14.4
137.13297	9.0
143.08641	2.5
145.06496	1.9
145.10098	19.7
147.11694	26.5
149.09616	40.6
149.13275	20.1
151.11185	6.1
151.14804	2.9
152.31920	2.2
153.09122	2.0
157.10136	4.7
159.11703	16.1
161.13268	29.7
163.11186	29.2
163.13437	2.6
163.14825	46.2
165.12802	2.8
169.10103	2.1
173.13269	14.9
175.14882	7.2
177.12741	12.9
177.16360	14.3
179.14301	6.9
183.11694	2.7
187.14838	25.5
189.11247	6.7
189.16376	6.1
191.10640	4.3
191.14316	19.8
191.17949	5.3
193.15884	4.9
197.13220	2.6
201.16452	6.6
203.17902	8.8
205.15889	50.1
206.16676	14.0
209.11713	5.1
215.56834	2.2
219.17493	6.4
219.21126	2.2
233.22612	4.7
237.11153	10.1
239.17941	2.3
243.21104	33.2
247.20622	2.3
257.19141	8.7
258.19299	1.9
261.22156	100.0
275.20068	64.0
293.15326	2.4
293.21201	11.0
293.24777	50.2
293.27859	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.03077	1.6
53.03943	1.6
54.03139	1.6
55.05500	8.7
57.07066	3.1
60.04523	1.4
65.03929	2.0
67.05505	95.6
69.07082	7.7
69.85333	7.3
79.05499	12.4
81.07059	100.0
83.04977	2.3
83.08613	6.6
85.06531	3.0
91.05469	5.4
93.07046	12.9
95.08610	75.8
97.06516	2.0
105.07021	6.5
107.08571	10.4
108.76490	1.5
109.09459	2.4
109.10161	37.9
113.41760	1.6
119.08607	4.3
121.10137	7.4
123.08041	2.0
123.11707	25.3
131.08563	7.0
133.10136	4.3
135.11687	5.8
137.13280	9.4
139.11142	1.5
143.08585	1.6
145.10114	4.0
147.11690	1.8
149.09598	2.8
149.13336	3.5
151.11131	2.7
159.11676	4.6
161.13239	2.1
163.11220	3.3
163.14845	3.6
173.13257	5.8
177.12740	2.7
177.16388	3.1
187.14761	4.5
191.14342	2.0
205.16040	1.8
237.11218	2.0
243.21117	5.8
261.22162	8.5
291.21591	1.8
293.21564	3.4
293.24774	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	293.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57950	1.1
55.01868	2.1
55.05306	1.1
55.05511	13.8
55.36266	1.2
57.07091	6.2
57.36351	1.3
65.03921	2.1
65.77989	1.3
67.05504	90.1
69.07072	12.6
71.57793	1.1
71.58157	1.2
79.05495	15.4
81.03439	1.4
81.07054	100.0
83.04965	5.1
83.08617	7.3
84.91653	1.2
85.02885	1.5
85.06509	3.1
91.05474	9.6
93.07049	17.6
95.04971	3.9
95.08604	79.8
97.06538	2.5
97.10158	3.3
99.08089	2.6
105.07022	8.6
107.04964	2.3
107.08589	12.5
109.06516	2.2
109.10152	32.1
115.07568	1.3
117.06995	3.7
119.08583	6.2
121.10151	12.4
123.08098	3.4
123.11707	15.4
125.09621	1.4
129.07071	1.5
129.15308	1.2
131.08551	10.5
133.10127	4.6
135.08014	1.3
135.11691	8.2
137.09570	2.8
137.13251	11.6
141.09041	1.8
143.08597	2.1
145.10149	5.9
145.11148	1.3
147.11676	5.8
149.09636	3.3
149.13246	5.3
151.11176	3.8
151.14822	6.3
153.09064	1.3
155.08505	1.5
157.10191	1.6
159.11699	4.0
161.13251	3.7
163.11180	3.7
163.14824	2.3
165.07079	1.5
165.16382	2.2
167.08624	1.4
169.10118	3.8
169.12199	1.5
173.13277	8.1
175.11163	1.7
177.12753	4.3
177.16386	3.1
179.14267	1.4
181.10091	2.1
183.11751	6.0
186.13484	1.3
187.14804	2.7
190.91870	1.3
191.14313	4.5
193.10071	3.0
195.11684	2.5
197.13268	2.0
201.16400	1.6
203.08501	1.3
204.09422	1.7
205.10158	2.8
205.15961	1.9
207.11673	2.5
217.10172	5.8
218.10966	1.9
219.11736	3.4
231.11752	2.1
232.12500	3.8
233.13208	6.2
233.22762	1.6
237.11160	1.9
237.18521	2.1
243.21133	8.0
244.40569	1.5
247.14838	7.1
251.10605	2.4
260.11902	3.6
261.22202	9.3
263.10645	3.7
265.12247	1.8
275.14297	5.7
275.20093	6.3
278.13092	3.8
279.13602	1.4
281.06958	1.3
293.12085	1.7
293.15366	40.4
293.21085	7.0
293.24747	23.3
294.15866	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2477
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03931	1.4
55.05516	11.4
57.07082	2.3
65.03940	3.0
67.05511	86.5
69.07065	9.5
69.85864	1.4
71.04980	1.3
71.08624	1.2
71.59625	1.6
72.90259	1.1
79.05495	14.6
81.07064	100.0
83.04977	4.7
83.08633	6.7
85.06555	1.5
91.05492	6.9
93.07047	15.6
95.04957	2.9
95.08614	78.6
95.34274	1.1
97.06548	2.7
97.10188	3.2
99.08009	1.3
105.07038	6.7
107.08596	12.4
109.06504	2.1
109.10167	29.0
111.08105	1.1
117.07027	2.2
119.08580	5.2
121.10157	9.0
122.76670	1.3
123.08100	1.5
123.11720	15.6
125.09605	2.5
131.08583	8.7
131.47186	1.1
133.10124	3.8
135.11694	5.0
137.09628	3.0
137.13289	8.5
145.10106	4.3
147.11673	4.4
149.09648	3.2
149.13286	4.2
151.11145	1.7
151.14801	3.6
159.11668	2.9
161.13271	4.1
163.11177	3.2
163.14839	3.2
165.16499	1.6
172.51788	1.2
173.13274	5.4
175.14778	1.5
177.12801	4.0
177.16415	1.8
185.05861	1.2
187.14799	3.3
187.39644	1.3
191.14268	1.9
237.11296	3.5
243.21129	7.2
261.22198	5.5
275.20087	2.8
293.24792	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	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03935	2.5
55.01876	2.6
55.05516	23.5
57.03416	1.8
57.07069	6.1
59.05002	2.5
59.47647	1.4
64.93805	1.2
65.57445	1.4
67.05502	18.8
69.03439	4.4
69.07074	24.3
69.44687	14.8
75.51777	1.2
78.26348	1.5
79.05496	15.2
81.07054	25.9
83.04982	7.1
83.08613	12.0
85.06551	6.0
91.05484	9.6
93.05862	1.5
93.07044	21.2
95.04971	2.9
95.08614	33.9
97.06541	5.9
97.10181	8.3
98.20677	3.2
105.07034	17.9
107.04964	5.6
107.08604	41.8
109.06512	2.5
109.09450	2.9
109.10168	38.2
111.08102	2.8
111.11705	1.5
117.07022	3.3
119.08584	25.0
121.06491	15.9
121.10151	30.4
123.08054	7.1
123.11728	14.9
125.09628	3.2
131.08577	7.0
133.10136	18.1
135.08066	12.4
135.11696	28.1
137.09616	12.9
137.13252	9.1
144.37192	1.6
145.10136	15.1
147.11676	18.1
149.09619	23.1
149.13277	20.1
151.11230	6.7
151.14902	2.4
159.11681	13.8
161.13277	26.9
163.11174	23.7
163.14832	35.6
165.12802	4.0
172.12471	1.9
172.95287	1.6
173.13260	11.8
175.14880	5.9
177.12769	14.1
177.16370	17.3
179.14383	5.7
187.14821	24.8
189.11156	3.3
189.16408	6.5
191.14304	22.6
191.17987	4.4
193.15900	2.9
201.16402	4.9
203.17938	8.7
205.15884	45.1
206.16656	14.4
209.11816	2.3
217.19443	1.9
219.17580	4.9
233.22697	7.1
237.11263	4.9
243.21129	28.8
257.18970	3.1
261.22153	100.0
262.22684	1.8
275.20084	16.3
293.15433	2.6
293.21167	6.4
293.24692	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.05503	12.9
57.07073	6.7
65.03941	2.9
67.05503	84.2
69.07066	17.0
71.59771	3.8
79.05501	16.3
81.07059	100.0
83.04982	4.6
83.08621	8.8
85.02915	3.4
91.05471	11.4
93.07063	18.4
93.75951	3.0
95.05016	3.5
95.08604	85.5
97.06548	5.0
97.10190	4.6
99.08107	2.9
105.07074	8.7
107.08601	19.2
109.06554	3.1
109.10151	36.1
117.07005	3.1
117.34932	2.1
119.08595	8.0
121.10168	10.7
121.33990	2.2
123.08063	4.1
123.11692	18.3
131.08603	8.7
133.10129	7.4
135.11708	7.9
137.09628	3.6
137.13248	9.6
145.10124	7.3
147.11661	5.5
149.09648	4.9
149.13289	6.7
151.11150	4.8
151.14841	4.7
159.11707	7.3
161.13202	3.7
163.11185	6.1
163.14833	3.6
165.12779	3.9
173.13293	7.8
177.12827	5.2
179.14287	3.3
183.11729	3.5
187.11212	2.8
187.14934	4.3
191.14343	3.8
233.22670	2.6
237.11205	3.5
243.21069	12.7
261.22131	7.7
271.38492	2.4
275.20224	5.9
293.12183	2.7
293.15387	10.6
293.21118	10.2
293.24768	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	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.86851	2.0
53.03933	3.1
55.01855	5.7
55.05262	2.4
55.05507	30.7
56.18729	2.0
57.03434	11.0
57.07071	5.4
59.71430	2.1
65.03925	2.9
67.05502	48.0
69.03428	4.9
69.07066	19.8
70.73861	6.2
70.74245	1.7
71.04990	3.4
71.08605	3.7
79.05490	31.1
81.03398	7.1
81.07056	71.4
83.04977	13.7
83.08625	19.3
85.02864	3.2
85.06539	6.7
85.47039	1.7
86.09673	2.1
91.05476	31.7
93.07045	36.6
95.04949	23.3
95.08607	44.9
97.02850	2.0
97.06535	9.7
97.10172	5.8
99.04440	4.0
99.08073	3.1
101.06039	2.0
104.10720	5.6
105.06393	2.5
105.07035	26.2
107.04933	7.1
107.05627	2.6
107.08601	30.2
109.06521	25.1
109.10143	18.4
111.04437	7.2
111.08072	4.1
117.07019	8.3
119.08572	24.7
121.06490	8.2
121.10133	22.4
123.08064	8.9
123.11680	6.1
124.99949	2.4
125.06051	2.7
125.09600	5.2
129.06995	2.2
131.08565	12.1
133.10124	22.6
135.08078	4.6
135.11667	11.3
137.09630	14.9
139.11197	2.9
145.10121	12.3
147.11664	12.8
149.09628	9.2
149.13226	5.3
151.11186	7.8
155.10687	2.3
157.10118	2.8
158.55235	2.0
159.05457	2.2
159.11688	7.5
161.13228	5.9
163.11166	8.5
163.14793	4.8
165.12723	5.8
173.13274	5.7
175.11185	2.6
175.14813	2.6
177.12811	4.5
181.04990	2.3
183.11656	2.7
185.13254	3.5
187.14729	2.3
191.10551	2.3
193.12253	4.0
193.15857	2.9
201.16443	2.8
203.14357	3.1
205.15901	2.9
209.11571	2.9
219.17442	66.5
221.15155	2.0
223.13371	2.8
229.19489	3.2
237.11385	4.7
240.09859	3.2
243.21199	2.2
247.20602	6.1
257.18939	5.9
261.22147	6.7
262.96976	2.4
275.20056	66.4
276.20508	2.5
288.59558	2.2
293.21109	100.0
294.21442	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	6.7
55.01866	12.4
55.05514	27.3
57.03424	12.0
57.07071	7.2
59.04995	5.8
67.05172	3.8
67.05506	53.2
69.03427	12.9
69.07072	29.3
69.86861	17.4
70.06249	4.1
70.06599	58.7
71.01339	3.1
71.04999	32.6
71.06918	14.8
71.08611	3.0
73.02898	5.6
75.04464	5.5
79.05499	40.2
81.03406	9.9
81.07058	70.1
83.04987	39.5
83.08619	11.6
85.02423	5.2
85.02911	65.4
85.06539	7.8
85.07025	2.6
89.08181	2.6
91.05482	38.1
93.07055	46.6
95.04976	27.0
95.08044	4.8
95.08607	64.2
97.02884	8.3
97.06534	30.3
97.10154	5.8
99.04440	7.9
99.08089	7.4
101.06023	36.4
105.07034	39.5
107.04960	11.8
107.08596	57.0
109.02911	4.1
109.06526	17.5
109.10158	30.8
111.04440	17.3
111.08084	7.0
113.05989	6.6
113.09668	4.7
115.05484	4.5
117.07019	11.6
119.04971	5.9
119.08585	38.2
121.06509	14.7
121.10133	30.7
123.08080	11.5
123.11699	12.2
125.09648	5.6
129.05486	17.9
129.07013	4.8
131.08565	19.1
133.10129	35.0
135.08057	96.1
135.11690	24.4
137.06000	4.9
137.09621	20.7
139.11238	5.0
143.08560	5.7
145.06575	3.3
145.10117	22.6
147.04417	11.4
147.06580	8.3
147.08022	4.3
147.11703	21.4
149.09604	18.8
149.13290	9.8
151.11163	15.6
153.05463	7.5
155.08636	4.2
157.10153	7.3
159.08195	3.9
159.11694	21.6
159.78781	2.8
161.09650	6.4
161.13275	12.3
163.11218	14.5
163.14844	5.4
165.09024	3.2
165.12718	3.3
169.10129	5.2
171.06491	5.0
171.11684	7.6
171.49774	2.8
172.70711	2.5
173.09596	3.7
173.13235	17.0
175.11212	8.6
175.14844	6.7
177.12749	12.3
179.10776	2.9
183.11755	5.1
185.13246	4.5
187.11211	3.2
187.14851	5.9
191.14336	5.3
197.13260	7.5
199.14821	9.6
201.12767	7.1
205.16043	3.2
215.14227	4.3
215.17940	4.6
217.15800	6.2
219.13776	6.5
222.65758	2.9
229.15877	3.1
229.19524	11.2
233.19051	3.3
239.09210	5.1
239.17915	6.2
247.20598	3.2
250.06516	3.6
257.19022	27.7
266.26779	4.2
275.20102	94.4
293.08133	5.2
293.13635	11.1
293.17776	9.4
293.21161	100.0
293.26773	4.4
300.88947	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03925	3.9
55.01856	9.8
55.05258	5.1
55.05511	63.3
57.07066	3.7
66.66027	2.6
67.05504	39.6
69.07067	12.0
69.67236	13.9
69.67665	8.6
71.04984	5.4
79.05064	6.2
79.05499	97.0
81.03426	5.8
81.07059	35.5
82.60027	3.1
83.04983	21.8
83.08607	21.9
89.43578	3.0
91.05482	40.5
93.07045	51.9
95.04965	11.4
95.08605	14.0
97.06544	6.9
97.10153	26.0
98.20699	3.5
105.07034	30.1
107.04949	42.1
107.08596	82.1
109.06536	6.4
109.10136	18.8
111.08078	5.8
117.06988	7.9
119.08577	31.9
121.10145	23.6
123.08037	3.7
123.11705	6.1
125.09652	28.8
131.08574	12.2
133.10126	25.3
135.08037	11.3
135.11613	4.4
135.36209	3.7
145.10133	10.2
147.11697	20.6
147.70404	3.3
149.09621	95.0
153.09100	5.2
157.10162	4.3
159.11703	8.5
161.13246	5.0
163.11243	6.1
163.14847	4.5
173.11778	4.4
173.13239	4.5
174.98068	3.2
187.13300	4.9
189.11218	24.1
203.39609	3.1
207.05319	2.8
209.15269	5.9
213.74287	3.1
215.18027	4.5
229.19524	7.6
239.18040	4.5
247.20566	4.8
257.18991	22.8
275.20071	100.0
276.20462	5.0
293.21155	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	2.1
55.01879	17.8
55.05511	15.7
57.03429	1.5
57.07071	3.2
57.36059	1.7
63.81352	1.5
65.25743	1.6
67.05510	20.5
69.03412	2.2
69.07072	12.8
71.04585	3.7
71.04999	3.1
79.05495	29.3
81.03416	3.6
81.07056	21.2
83.04966	6.4
83.08625	7.6
85.02907	1.8
89.52567	1.5
91.05476	16.4
93.07052	17.2
95.04948	6.6
95.08610	11.2
97.06533	26.8
97.10181	11.5
98.72969	1.9
100.34102	1.7
105.07044	22.7
107.04923	4.8
107.08598	56.2
109.06502	5.6
109.10145	7.1
110.75889	1.6
117.07020	4.6
119.08593	11.4
121.06473	1.8
121.10133	7.0
122.03643	6.9
123.08089	1.7
123.11707	3.1
125.09627	9.4
127.17886	1.5
129.07045	3.4
131.08565	6.0
133.10143	15.8
135.08028	2.7
135.11690	5.3
137.05984	100.0
137.09596	2.3
137.13289	1.8
145.10123	12.0
147.11691	9.9
149.09612	11.3
151.11177	2.5
157.10146	2.6
159.11685	5.7
161.13261	2.6
163.11183	4.6
165.09129	2.7
170.15369	2.7
171.11716	3.3
173.11771	1.7
173.13249	3.8
177.12770	2.7
181.12256	1.9
183.11829	1.5
187.11237	2.0
189.11295	11.7
209.11682	2.3
217.51993	1.6
229.19601	3.2
237.11203	2.3
239.17932	3.6
247.20624	3.5
257.19107	7.9
275.20081	77.8
275.23129	3.8
276.20401	4.5
280.35657	1.7
293.21054	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	3.6
55.01882	10.6
55.05265	2.7
55.05516	42.7
57.03429	3.5
57.07072	2.6
58.54500	1.6
64.21507	1.8
67.05505	42.7
69.03425	7.3
69.06718	2.6
69.07066	28.7
70.20821	5.6
70.67641	1.9
71.04994	7.6
79.05499	48.3
81.03428	3.8
81.07062	42.1
83.04977	8.2
83.08625	21.2
84.67654	1.6
84.78439	1.5
85.02899	3.5
85.06577	2.2
91.05482	42.1
93.07047	35.2
95.04969	13.8
95.08616	28.1
97.06550	8.6
97.10183	26.0
105.07036	40.5
107.04939	8.4
107.08599	98.2
109.06528	8.7
109.10157	22.2
111.08051	2.8
115.07574	4.4
117.06264	2.5
117.07005	10.9
119.08591	25.5
121.06474	2.2
121.10155	22.3
123.08047	4.7
123.11682	4.4
125.09641	18.3
128.06209	1.8
129.07024	2.8
131.08565	15.9
133.10146	34.3
135.08084	5.5
135.11674	8.8
137.09648	7.0
139.11166	1.9
140.49564	1.8
141.07014	3.1
143.08560	3.1
145.10133	18.0
147.11685	17.0
149.09612	14.7
149.13271	3.1
151.07565	2.2
151.11209	3.1
153.09114	2.2
155.08542	2.4
157.10191	3.2
159.11703	13.3
161.13287	5.9
163.11224	7.4
171.11691	6.0
173.11807	2.7
173.13266	5.4
175.09779	2.2
175.11230	2.0
177.12762	3.1
183.11703	2.9
185.13283	2.1
189.11201	19.0
197.07312	7.0
197.13307	3.1
199.14844	2.5
203.12798	4.1
211.96443	1.7
215.14343	2.1
223.13283	3.2
229.19524	3.1
233.15277	1.9
239.18011	10.6
247.20595	3.7
257.18970	13.6
264.59180	1.8
275.20065	100.0
276.20444	1.9
293.21176	25.9
294.10095	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01871	5.6
55.05515	39.4
57.03442	3.4
57.07076	2.0
59.05001	2.1
62.95964	1.8
65.03928	2.7
67.05511	34.8
69.03436	3.3
69.07069	16.7
71.04665	4.6
71.05019	4.0
79.05497	47.1
81.03423	2.1
81.07061	32.3
83.04973	11.2
83.08617	21.8
85.02902	3.1
85.06543	2.0
91.05488	33.1
93.07043	29.6
95.04974	11.4
95.08607	26.2
97.06539	8.8
97.10168	21.1
105.04527	1.9
105.07036	41.5
107.04975	4.1
107.08600	100.0
109.06535	5.3
109.10171	14.6
111.08115	2.8
115.77878	1.8
117.07016	10.4
119.08593	24.2
121.06484	5.1
121.10142	18.0
123.08092	2.0
123.11717	4.8
125.09647	16.3
129.06918	2.2
131.08546	11.3
132.25845	2.0
133.10135	22.4
135.08002	4.2
135.11708	5.2
137.06001	1.9
137.09625	7.5
139.11206	4.5
145.10127	13.8
147.11702	13.4
149.09645	15.0
151.11191	2.8
153.09160	2.2
153.12680	2.2
157.10078	3.1
159.11719	9.1
161.13353	2.5
163.11227	5.3
167.10588	2.5
169.10081	2.2
171.11696	4.2
173.11855	2.3
173.13318	5.6
181.12190	2.9
183.11699	3.7
189.11180	17.9
191.10828	1.9
197.13324	2.2
203.12785	2.4
217.26865	2.1
223.13329	3.0
225.15041	1.8
239.17969	6.3
247.20715	2.0
257.19052	10.7
275.20081	99.1
276.20419	3.1
293.21063	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.23640	1.2
52.40933	1.1
53.03936	2.6
55.01875	9.4
55.05510	28.6
57.03441	1.6
57.07068	1.3
65.03922	2.9
67.05502	18.4
67.19862	1.2
69.03426	3.2
69.07068	15.4
71.04983	2.9
77.03931	1.7
77.05444	1.1
79.05497	44.4
81.03408	3.9
81.07059	23.1
81.33811	1.4
83.04981	5.1
83.08626	14.0
85.02908	5.0
91.05479	24.4
93.07052	16.6
95.04967	5.0
95.08611	13.9
95.92459	1.3
97.06528	11.4
97.10168	20.2
97.59982	1.2
101.06039	1.4
105.07035	29.9
107.04951	6.7
107.08596	100.0
108.08920	1.9
109.06506	6.8
109.10159	7.7
111.08075	2.3
117.07020	5.2
119.08582	15.6
120.08951	1.1
121.06498	1.8
121.10123	7.4
123.08038	1.9
123.11712	4.8
125.09641	20.2
129.05438	1.7
129.07004	2.9
131.08565	7.1
133.10126	18.3
135.08070	3.9
135.11713	4.9
137.09668	1.9
137.90413	1.1
142.38107	1.2
143.08513	1.4
145.10132	11.2
147.11688	10.4
148.77626	1.2
149.09651	11.3
149.13306	1.5
151.11191	3.3
153.09085	1.5
157.10175	1.4
159.11673	7.8
161.09645	1.5
161.13295	4.8
163.11221	3.0
165.09126	2.2
169.10146	1.2
171.11624	2.3
171.31892	1.3
173.13254	3.4
175.11163	1.9
177.12675	1.8
181.12218	2.8
187.11211	2.8
189.11252	20.4
191.14348	1.5
197.13278	1.9
229.19540	2.5
239.17955	3.9
247.20584	1.7
257.18967	10.9
275.20062	82.5
276.20383	3.5
278.09106	1.6
293.11581	4.1
293.21143	13.9
293.27896	4.0
294.08966	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03935	0.4
55.01879	0.8
55.05269	0.3
55.05512	3.5
57.03435	0.3
57.06829	0.2
57.07076	3.1
65.03922	0.3
65.16229	0.1
67.05173	0.2
67.05505	3.0
68.99773	0.2
69.03423	0.3
69.07069	1.7
71.01339	0.2
71.04984	0.6
71.08630	1.6
71.27136	0.4
79.05065	0.3
79.05493	2.9
81.03420	1.1
81.07054	3.7
83.04980	3.9
83.08615	1.1
85.02888	0.4
85.06523	0.5
91.05480	1.9
92.84794	0.2
93.07037	2.6
95.04967	4.5
95.08612	2.3
97.06545	1.0
97.10155	1.0
99.08108	1.3
105.07037	2.3
107.04953	2.8
107.08595	2.5
108.05760	1.2
109.02868	0.3
109.06522	1.9
109.10122	0.9
111.04441	1.5
111.08076	0.4
117.06989	0.6
119.08589	1.5
121.06509	6.0
121.10148	1.3
123.08038	0.3
123.11683	0.2
125.05989	0.6
125.09616	0.5
129.05435	0.2
131.08598	1.0
133.10126	0.6
135.04387	0.5
135.08051	1.0
135.11671	0.4
137.05966	0.2
137.09621	0.2
137.13214	0.2
139.07590	0.2
143.08543	0.2
145.10155	0.8
147.08070	0.2
147.11722	1.1
149.09608	0.9
149.13258	0.4
151.11176	2.4
153.05495	1.4
153.09187	0.2
157.10146	0.2
159.11665	0.3
161.09547	0.2
161.13252	0.2
163.03905	0.3
163.11221	0.8
164.11977	0.6
165.12759	3.4
173.09555	0.2
173.13304	0.2
175.11092	0.2
177.09103	0.3
177.12737	1.4
181.04918	1.8
181.12248	0.4
189.11230	0.3
191.10666	2.0
191.14383	0.4
193.12270	0.4
195.10175	0.7
195.13779	0.2
209.11720	3.8
213.32242	0.2
219.10144	0.5
219.17505	0.2
223.13312	0.6
236.14119	0.4
237.11217	7.8
237.14694	0.8
238.11516	0.2
247.20490	0.2
265.18164	0.2
275.20102	2.4
293.21103	100.0
294.21460	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.61880	1.2
52.08532	1.5
53.03941	6.5
55.01872	10.2
55.05263	2.0
55.05514	29.6
57.03426	6.4
57.07071	6.1
59.04993	1.8
65.03952	1.9
67.05507	42.6
69.03419	5.9
69.07071	24.5
70.37890	1.3
71.04989	5.6
71.08621	3.0
71.60680	2.4
77.19196	1.4
79.05498	48.2
81.03412	4.7
81.07060	100.0
82.07415	1.6
83.04984	15.3
83.08620	14.4
85.02911	5.5
85.06567	2.5
91.05485	36.8
91.47372	1.3
93.07049	39.8
95.04977	17.1
95.08613	42.2
95.37124	1.3
96.62046	1.5
97.06531	12.2
97.10183	7.7
99.08080	3.1
105.07034	40.1
105.94598	1.6
107.04945	8.9
107.07860	2.2
107.08596	37.7
109.06520	27.3
109.10154	22.9
111.04447	2.1
111.08070	5.5
115.05418	1.7
117.07013	11.8
119.08582	37.9
121.06464	6.6
121.10146	19.7
122.03665	2.1
123.04427	2.3
123.08075	13.4
123.11723	8.4
124.04750	2.0
125.09608	5.0
127.11174	1.6
129.06996	5.5
131.08575	17.1
133.10132	29.9
135.08076	7.4
135.11691	10.0
137.05002	3.0
137.05989	39.5
137.09607	9.8
139.11177	2.7
143.08569	4.8
145.06514	1.4
145.10126	17.3
147.11707	18.4
149.09645	12.2
149.13271	5.9
151.11185	3.5
155.08603	3.2
157.10136	5.5
159.08080	1.7
159.11710	11.2
161.09659	2.9
161.13295	5.3
163.11227	7.5
165.09224	1.4
165.12730	3.0
169.10118	1.9
171.11681	3.0
171.15701	1.5
173.13234	6.9
175.11253	3.5
177.12785	3.2
181.12332	1.5
185.13309	2.1
187.11267	2.0
187.14830	2.0
189.11179	3.8
189.12782	2.3
191.14412	2.1
193.12248	3.1
197.13257	3.0
199.14777	1.9
201.12715	2.4
203.14371	2.0
205.15880	3.1
205.19669	1.7
215.14311	2.9
217.15913	1.7
219.13928	1.9
219.17496	5.0
221.15338	1.9
224.09354	1.3
229.19499	3.8
237.11078	1.7
239.17978	5.6
247.20639	6.1
249.18445	1.8
251.16370	1.5
257.18988	10.9
275.20068	84.1
276.20435	4.4
285.00766	1.4
293.17850	2.3
293.21176	39.9
293.24545	1.9
293.28174	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03947	3.2
55.01874	23.3
55.05508	24.6
56.96575	3.1
57.03419	5.2
57.07078	3.9
57.08739	1.8
59.04975	2.8
61.74197	1.8
64.62183	1.9
67.05504	35.9
69.03428	3.5
69.07067	21.7
70.52479	5.9
71.04984	5.5
79.05494	41.4
81.03405	6.0
81.07056	36.1
83.04985	9.7
83.08624	10.7
85.02887	4.6
85.06540	3.8
91.05476	28.7
93.07043	25.8
95.04971	10.1
95.08601	28.6
97.06532	37.8
97.10166	14.9
102.63605	2.2
103.05495	2.7
105.07027	37.7
105.07690	3.5
107.04952	7.2
107.08593	64.2
109.06506	9.0
109.10151	11.0
111.04435	2.9
111.08067	4.9
113.06011	1.8
117.07021	9.9
119.08585	25.0
121.06501	6.2
121.10151	13.4
122.65588	1.8
123.04391	2.2
123.08063	5.8
123.11742	4.8
125.09603	10.8
129.07002	4.1
131.04910	8.7
131.08540	10.9
133.10130	21.7
135.08040	6.3
135.11688	10.0
137.09621	3.6
141.07022	2.0
143.08522	3.8
145.10130	15.5
147.11684	12.7
149.05988	2.2
149.09642	15.1
149.13284	2.4
151.11180	5.7
157.10120	4.0
159.11711	12.7
161.09576	2.3
161.13263	6.0
163.11169	8.0
165.09061	5.3
165.12762	2.1
169.10095	2.9
173.13287	6.2
177.05484	11.8
177.12773	2.9
178.06279	12.3
179.14220	2.3
185.13264	5.5
187.11197	5.4
187.14804	2.2
189.11227	9.9
191.07051	4.1
197.13333	2.6
205.12271	3.4
215.17934	1.9
219.17462	5.3
221.15315	3.7
229.19450	4.0
233.11652	22.5
239.18007	6.1
247.20546	4.2
257.19016	12.0
275.20081	100.0
276.20370	3.4
293.21014	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	2.8
54.90647	1.1
55.01862	4.4
55.05513	10.1
57.03412	1.5
57.05476	1.3
57.07064	2.7
60.49724	1.1
67.05168	2.3
67.05507	27.6
68.67643	1.1
69.03432	1.9
69.06727	1.6
69.07073	22.4
70.61936	4.4
71.04978	3.0
78.26740	1.2
79.05502	17.1
81.03397	1.2
81.07058	28.7
83.04983	6.3
83.08627	4.8
85.06543	1.8
91.05480	17.0
93.07039	20.2
95.04993	9.9
95.08609	18.3
97.06516	3.3
97.10174	3.0
98.20884	1.7
103.51151	1.2
105.07034	19.6
107.04961	6.2
107.08591	14.4
109.06538	7.4
109.10139	10.6
111.08118	1.9
117.07005	5.9
119.08575	12.2
121.06521	9.3
121.10136	7.2
123.08080	4.7
123.11690	2.6
131.08565	12.4
132.02141	1.4
133.06540	2.5
133.10136	15.0
135.08089	3.9
135.11694	4.2
137.09641	1.7
143.08572	2.1
145.06485	1.7
145.10117	10.1
147.08057	3.1
147.11700	10.2
149.09619	4.3
149.13268	2.5
151.11182	8.0
157.10162	1.5
159.08026	2.0
159.11670	7.4
161.09639	3.4
161.13281	1.9
163.11197	5.0
171.11774	2.6
173.13297	4.7
175.11220	2.3
177.12746	2.2
183.11665	2.0
187.11177	1.3
187.14784	1.3
189.12770	1.3
191.14282	2.9
197.13181	1.5
201.12833	3.1
207.13777	1.9
207.68176	1.1
215.14386	1.8
215.17990	1.4
219.13857	2.4
239.17937	2.4
247.09314	1.3
247.20596	3.8
257.19012	14.7
275.20081	100.0
276.20483	2.9
281.11996	1.3
293.21136	47.1
293.58630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03944	5.0
55.01857	7.9
55.05263	2.7
55.05512	39.1
57.03442	3.0
57.07062	2.0
64.51386	1.8
65.03944	4.1
67.05503	85.4
69.03418	4.2
69.07070	31.2
70.20258	3.0
70.20673	7.3
71.04991	29.2
79.05060	4.1
79.05495	64.9
81.03425	3.5
81.07056	93.6
83.04985	25.1
83.08610	15.8
85.02896	4.4
85.06530	8.7
91.05474	58.9
93.07045	51.7
95.04966	31.4
95.08603	53.8
97.06533	33.4
97.10172	7.1
105.07030	52.4
107.04941	4.2
107.08597	28.8
109.06522	31.6
109.10162	12.8
111.08063	11.6
113.06010	3.4
117.07009	8.2
119.08585	35.6
121.06480	2.6
121.10145	26.9
123.08081	45.7
123.11716	10.3
125.09650	2.3
127.07555	3.3
129.06984	2.7
129.32455	2.2
131.08565	19.6
133.10130	28.9
133.60953	2.6
135.11684	8.7
137.09671	10.0
143.08656	3.4
145.10123	17.7
147.11681	29.3
149.09566	3.5
149.13249	3.3
151.11209	6.2
157.10112	4.3
159.11761	10.2
161.13210	10.0
163.11160	4.9
165.12755	4.6
171.11731	5.9
173.13266	5.2
179.14391	3.0
183.11697	3.1
189.11224	3.2
189.12766	5.1
197.13188	4.1
207.13821	4.3
209.15450	3.6
229.19621	2.8
239.18056	4.0
249.18510	6.9
257.19012	8.3
275.20078	46.7
275.22797	4.1
280.62238	2.3
293.21121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03941	4.4
53.98041	2.3
55.01871	11.5
55.05511	39.0
57.03426	4.9
57.07074	4.4
59.41081	1.9
65.03935	2.3
67.05505	42.4
69.03423	4.0
69.07066	16.5
70.01563	4.6
70.01968	7.9
70.10515	2.0
71.04988	7.4
77.24067	1.7
79.05492	44.1
79.65292	1.8
81.03417	2.9
81.07057	37.2
83.04988	11.8
83.08214	2.0
83.08617	14.2
83.49151	1.9
85.02901	7.3
85.06545	2.9
91.05485	33.3
93.07042	30.5
95.04968	37.1
95.08601	25.5
97.06536	12.7
97.10161	11.7
97.41839	2.0
98.21438	3.1
98.98380	2.0
105.07032	32.5
107.04961	23.2
107.08587	60.7
109.06512	5.8
109.10159	14.4
111.04453	3.3
111.08070	6.2
117.07022	9.2
119.08570	22.1
121.06493	4.7
121.10158	17.5
123.08041	4.8
123.11707	5.8
125.09633	14.1
131.08566	12.7
133.10120	26.6
135.08040	5.5
135.11668	10.5
137.09599	5.0
143.08553	2.2
145.10141	14.1
145.99942	2.0
147.11659	14.6
149.09618	25.0
149.13239	3.7
151.11160	5.6
153.09119	2.9
157.10185	2.6
159.11668	9.8
161.09590	2.4
161.13260	7.5
163.11171	11.5
163.14748	1.9
164.47026	2.2
165.12755	4.0
173.11864	2.2
173.13257	8.4
175.11182	2.3
175.14839	3.2
177.12769	3.8
179.14250	3.6
183.11728	3.8
187.11096	3.4
187.14781	3.8
189.11235	15.7
209.15366	2.4
213.40363	2.1
215.17917	2.6
223.13260	12.0
229.19431	2.5
239.17960	4.8
246.18230	2.1
247.59666	2.2
257.18961	11.4
264.84796	2.3
275.20071	100.0
276.20422	4.1
293.17639	2.9
293.21066	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.8
54.61481	1.6
55.01861	9.0
55.05273	2.7
55.05513	33.3
57.03434	12.3
57.07075	9.1
57.07301	1.8
59.04992	3.6
61.02914	2.6
65.03939	3.5
67.05504	58.6
69.03432	17.5
69.07069	35.4
69.63809	12.9
70.06599	2.7
71.01362	3.6
71.04995	33.1
71.08643	3.1
75.04459	5.6
79.05064	2.5
79.05495	34.5
81.03420	9.9
81.07059	88.7
83.04983	33.6
83.08628	20.4
85.02907	80.0
85.03436	3.0
85.06533	7.5
87.04475	2.3
91.05484	45.4
93.07045	43.4
95.04966	30.1
95.08606	72.7
96.08887	2.1
97.02283	4.0
97.02892	69.3
97.06517	15.4
97.10179	11.9
98.20743	2.7
99.04419	6.5
99.08076	3.3
99.73633	1.9
101.06020	3.7
103.05474	3.6
105.07037	37.0
105.07687	1.4
107.04965	8.9
107.08596	36.1
109.02874	5.1
109.06519	13.7
109.10156	41.3
109.71305	1.9
111.04436	33.9
111.08060	6.7
111.11720	3.2
113.02345	1.9
113.06009	4.4
113.09718	2.2
115.03922	2.9
115.05472	3.5
117.07015	20.8
119.04920	2.2
119.08576	29.2
121.06521	16.0
121.10137	20.8
123.04430	11.3
123.08066	11.6
123.11707	16.3
125.05966	7.8
125.09644	6.5
127.03966	2.0
127.11143	2.3
129.05487	20.3
129.06982	10.9
130.07823	2.1
131.04919	5.6
131.08585	22.5
133.06519	14.9
133.10129	20.3
135.08057	14.2
135.10829	1.8
135.11699	12.3
137.06001	10.1
137.09619	5.7
137.13237	5.7
139.07553	11.2
139.11252	2.2
139.49203	1.7
141.06950	2.4
143.08565	10.4
145.06491	11.2
145.10115	20.0
147.04404	5.4
147.06531	7.6
147.08025	13.6
147.11678	10.9
149.05972	9.8
149.09581	9.0
149.13289	11.1
151.07544	9.5
151.11137	2.4
151.14816	4.0
153.05446	11.8
153.09131	2.3
155.08589	5.6
155.10632	2.4
156.09373	2.1
157.04967	2.3
157.10106	9.1
159.06856	1.9
159.08026	11.2
159.11691	12.9
161.05943	2.8
161.09613	9.6
161.13263	5.4
163.07552	18.5
163.11192	6.8
163.14861	6.0
165.05551	2.4
165.09097	5.1
167.07091	4.5
167.08530	2.4
167.14337	2.1
169.10092	6.7
171.06555	6.5
171.08002	2.2
171.11688	6.1
173.09612	9.4
173.13258	8.0
175.07562	6.8
175.11195	3.1
177.05559	3.2
177.09119	10.7
177.12750	2.7
179.07077	2.4
179.08539	1.9
179.10651	2.5
179.17877	2.1
181.08633	2.7
181.10130	2.5
183.11772	4.4
185.09676	1.8
185.13217	3.0
187.07471	2.3
187.11203	3.2
187.14771	3.4
189.09152	4.3
191.10698	7.9
191.14362	2.1
191.17836	2.1
195.11647	2.1
195.13806	2.2
197.13379	3.6
199.14833	6.5
201.07535	3.2
201.09183	3.2
201.12730	3.3
203.14296	1.9
207.13831	2.2
209.15375	2.0
211.14818	7.0
213.12729	3.1
215.14336	3.0
221.13193	2.9
229.12151	2.9
229.15865	9.2
233.15346	2.8
239.09149	8.4
239.14307	8.5
247.16867	9.4
250.06584	2.0
257.10092	4.4
257.15363	26.1
265.18011	2.5
275.11417	5.1
275.16440	51.2
275.20074	16.0
275.27051	3.9
293.08099	5.6
293.11996	7.5
293.17508	100.0
293.20862	7.4
293.25067	3.8
293.28400	14.4
302.31879	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1747
Annotation	Salinipyrone B
Peak:m/z	Relative Intensity
53.03932	4.8
54.61481	1.6
55.01861	9.0
55.05273	2.7
55.05513	33.3
57.03434	12.3
57.07075	9.1
57.07301	1.8
59.04992	3.6
61.02914	2.6
65.03939	3.5
67.05504	58.6
69.03432	17.5
69.07069	35.4
69.63809	12.9
70.06599	2.7
71.01362	3.6
71.04995	33.1
71.08643	3.1
75.04459	5.6
79.05064	2.5
79.05495	34.5
81.03420	9.9
81.07059	88.7
83.04983	33.6
83.08628	20.4
85.02907	80.0
85.03436	3.0
85.06533	7.5
87.04475	2.3
91.05484	45.4
93.07045	43.4
95.04966	30.1
95.08606	72.7
96.08887	2.1
97.02283	4.0
97.02892	69.3
97.06517	15.4
97.10179	11.9
98.20743	2.7
99.04419	6.5
99.08076	3.3
99.73633	1.9
101.06020	3.7
103.05474	3.6
105.07037	37.0
105.07687	1.4
107.04965	8.9
107.08596	36.1
109.02874	5.1
109.06519	13.7
109.10156	41.3
109.71305	1.9
111.04436	33.9
111.08060	6.7
111.11720	3.2
113.02345	1.9
113.06009	4.4
113.09718	2.2
115.03922	2.9
115.05472	3.5
117.07015	20.8
119.04920	2.2
119.08576	29.2
121.06521	16.0
121.10137	20.8
123.04430	11.3
123.08066	11.6
123.11707	16.3
125.05966	7.8
125.09644	6.5
127.03966	2.0
127.11143	2.3
129.05487	20.3
129.06982	10.9
130.07823	2.1
131.04919	5.6
131.08585	22.5
133.06519	14.9
133.10129	20.3
135.08057	14.2
135.10829	1.8
135.11699	12.3
137.06001	10.1
137.09619	5.7
137.13237	5.7
139.07553	11.2
139.11252	2.2
139.49203	1.7
141.06950	2.4
143.08565	10.4
145.06491	11.2
145.10115	20.0
147.04404	5.4
147.06531	7.6
147.08025	13.6
147.11678	10.9
149.05972	9.8
149.09581	9.0
149.13289	11.1
151.07544	9.5
151.11137	2.4
151.14816	4.0
153.05446	11.8
153.09131	2.3
155.08589	5.6
155.10632	2.4
156.09373	2.1
157.04967	2.3
157.10106	9.1
159.06856	1.9
159.08026	11.2
159.11691	12.9
161.05943	2.8
161.09613	9.6
161.13263	5.4
163.07552	18.5
163.11192	6.8
163.14861	6.0
165.05551	2.4
165.09097	5.1
167.07091	4.5
167.08530	2.4
167.14337	2.1
169.10092	6.7
171.06555	6.5
171.08002	2.2
171.11688	6.1
173.09612	9.4
173.13258	8.0
175.07562	6.8
175.11195	3.1
177.05559	3.2
177.09119	10.7
177.12750	2.7
179.07077	2.4
179.08539	1.9
179.10651	2.5
179.17877	2.1
181.08633	2.7
181.10130	2.5
183.11772	4.4
185.09676	1.8
185.13217	3.0
187.07471	2.3
187.11203	3.2
187.14771	3.4
189.09152	4.3
191.10698	7.9
191.14362	2.1
191.17836	2.1
195.11647	2.1
195.13806	2.2
197.13379	3.6
199.14833	6.5
201.07535	3.2
201.09183	3.2
201.12730	3.3
203.14296	1.9
207.13831	2.2
209.15375	2.0
211.14818	7.0
213.12729	3.1
215.14336	3.0
221.13193	2.9
229.12151	2.9
229.15865	9.2
233.15346	2.8
239.09149	8.4
239.14307	8.5
247.16867	9.4
250.06584	2.0
257.10092	4.4
257.15363	26.1
265.18011	2.5
275.11417	5.1
275.16440	51.2
275.20074	16.0
275.27051	3.9
293.08099	5.6
293.11996	7.5
293.17508	100.0
293.20862	7.4
293.25067	3.8
293.28400	14.4
302.31879	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.05512	31.6
57.19551	0.9
67.05494	3.9
69.03403	1.2
69.07072	2.9
69.83233	2.8
69.83647	3.0
79.05479	5.1
81.07057	7.8
83.04984	100.0
91.05477	8.6
91.64574	0.9
93.07043	13.2
95.04942	1.2
95.08624	6.1
99.08094	1.0
101.06014	2.3
102.19102	0.9
105.07038	20.4
107.08606	14.5
109.06509	2.3
109.10133	1.9
111.04460	0.9
117.05638	1.0
119.04903	1.1
119.08582	9.7
121.06610	1.0
121.10137	8.4
123.08058	1.2
131.08514	1.0
133.06508	1.2
133.10139	7.3
137.05969	2.2
139.28172	1.0
142.07835	1.2
145.10107	2.7
147.11694	22.5
147.32263	1.0
149.13268	3.4
151.07581	1.7
157.10106	2.4
157.20818	1.1
163.11157	1.2
165.12787	2.6
175.11209	15.9
193.12265	9.6
211.13219	1.7
283.69168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.05513	54.2
55.69535	0.6
57.03458	1.1
57.07073	1.3
57.12285	0.7
63.12447	0.7
67.05499	4.4
69.03440	1.3
69.07087	4.7
71.40239	1.6
78.24458	0.7
78.68048	0.6
79.05490	5.9
81.07055	9.0
83.04982	100.0
83.08613	1.0
84.05367	0.7
84.63380	0.7
91.05486	9.7
93.07048	13.4
95.04987	1.9
95.08604	8.6
99.08108	0.7
101.06030	1.8
105.07034	19.7
107.08595	16.9
109.06538	2.8
109.10177	2.5
111.04464	1.0
119.04962	1.1
119.08591	13.1
121.10136	9.0
123.08083	1.7
123.11710	0.8
123.14834	0.7
125.06020	1.1
131.08554	0.8
133.06509	1.1
133.10124	5.3
134.70815	0.8
137.06018	3.1
137.13263	0.9
142.07805	1.3
145.10129	2.1
147.08040	0.8
147.10506	1.2
147.11685	22.9
147.12784	1.4
149.09639	1.1
149.13289	2.8
151.07585	1.8
151.11145	1.0
157.10164	3.0
159.11668	1.0
163.11171	0.6
165.12766	2.5
175.11182	15.8
193.12247	7.0
193.13857	1.0
199.35010	0.7
209.11778	0.9
223.30322	0.8
237.11269	1.4
275.19894	1.6
293.17792	1.0
293.21130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60102	1.2
55.01872	1.4
55.05510	6.7
57.03440	12.0
62.02107	1.3
63.61401	1.4
67.05497	4.7
69.03426	8.5
71.01357	5.0
71.04995	35.4
71.34332	2.6
73.02912	3.9
75.04481	10.4
79.05489	3.2
81.03425	2.1
81.07067	3.8
83.04984	29.9
85.02908	100.0
87.04453	4.0
93.07047	3.0
95.04997	7.2
95.08624	3.2
97.02880	1.9
97.06533	3.3
99.04465	4.7
101.06030	3.6
105.07030	2.7
107.04942	1.5
107.08612	2.1
109.02882	3.3
111.04443	31.5
113.06022	3.5
119.08575	1.8
119.26159	1.2
125.06007	3.1
127.03894	2.6
129.05492	30.5
133.10083	2.6
135.11722	1.6
145.71204	1.4
147.06537	12.8
149.05980	1.6
153.05476	13.8
157.04971	3.9
159.06575	2.0
171.06537	10.5
171.07799	1.4
183.06567	2.7
195.06519	1.3
201.07628	3.7
213.07610	2.5
213.55704	1.5
239.09154	9.1
243.66707	1.4
257.10190	4.7
275.11331	4.8
275.20065	1.6
293.12201	5.2
293.21042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01866	4.5
55.05510	20.9
57.03435	13.0
57.07075	8.6
59.05006	1.8
61.02916	1.7
65.03922	1.6
67.01872	1.5
67.05501	15.0
67.36210	1.4
69.03420	12.3
69.07069	33.5
69.26571	1.7
69.26887	17.1
70.65415	1.5
71.01340	6.1
71.04992	39.6
71.08624	4.7
73.02928	6.5
73.06551	4.5
75.04475	8.3
79.05489	11.3
81.03397	2.6
81.07052	31.5
83.04980	33.3
83.08619	18.0
85.02905	100.0
85.06546	3.2
85.81468	1.2
87.04456	4.0
91.05470	7.0
93.07041	15.6
95.04973	10.5
95.08601	28.7
97.02901	3.6
97.06528	11.0
97.10156	9.3
98.20638	2.6
99.04457	5.7
101.06011	4.4
105.07046	9.5
107.04982	3.0
107.08591	21.9
109.02870	2.5
109.06506	4.2
109.10149	16.0
111.04436	34.8
111.08079	3.0
111.11693	2.8
113.06007	4.4
117.07057	1.9
119.08567	5.4
121.06499	2.9
121.10129	10.6
123.04395	1.7
123.08080	3.1
123.11709	9.4
125.06000	3.3
125.09656	4.8
125.13298	1.9
127.03908	2.9
129.05476	31.2
131.08551	2.8
133.10115	5.1
135.11690	5.9
137.05997	2.7
137.13254	3.6
139.03899	2.2
145.10112	2.7
147.06477	9.0
147.11678	3.4
149.06006	2.6
149.09509	3.2
149.13263	8.2
153.05479	11.2
153.12656	2.4
157.04939	2.9
159.11699	1.8
161.13211	1.8
163.14816	4.1
165.05557	1.4
171.06526	9.6
173.13312	2.3
175.07538	1.4
177.16418	2.6
183.06557	2.3
201.07513	3.7
205.19554	1.5
213.07634	4.4
219.17381	1.8
233.22678	1.5
239.09158	9.1
239.18182	1.4
257.10233	4.8
257.19125	2.3
275.11227	4.7
275.20007	15.2
275.27283	5.4
280.15927	1.5
293.08438	2.6
293.12073	6.9
293.17618	4.1
293.21161	4.6
293.28381	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	293.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.05520	7.6
57.03437	11.1
60.24237	1.0
65.03960	1.1
67.05497	4.3
69.03430	6.8
69.07067	1.5
69.52766	6.3
69.53187	3.2
71.01353	4.1
71.04993	36.1
73.02917	3.0
75.04481	8.7
79.05489	3.7
79.94437	1.1
80.33360	1.1
81.03415	2.0
81.07042	4.6
83.04975	28.8
83.08611	2.3
85.02901	100.0
85.06518	1.3
87.04451	2.2
91.05474	1.9
93.07026	2.2
95.04976	9.2
95.08605	2.1
97.02883	1.8
97.06541	3.2
97.10178	1.8
99.04482	2.4
101.06027	3.3
105.07044	2.1
107.04965	1.6
107.08593	4.2
109.02863	3.9
109.06525	2.9
111.04440	32.8
113.06022	2.4
117.05462	1.9
119.08566	1.5
121.06524	1.9
121.10149	1.4
123.04437	2.3
125.06007	2.5
125.09614	2.3
127.03906	2.7
129.05478	33.4
133.10097	2.0
137.05981	2.0
139.03903	1.6
141.05539	1.6
147.06491	14.4
148.18491	1.0
151.07545	1.7
153.05450	14.1
157.04964	2.6
159.06525	1.3
161.29771	1.0
171.06514	8.5
183.06599	2.6
189.11252	1.7
193.08595	2.0
195.06511	1.4
201.07564	6.5
213.07635	2.9
239.09166	10.6
257.10245	6.0
275.11252	6.8
275.20023	3.2
293.12189	7.1
293.21106	5.4
303.98569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1164
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
53.03954	0.9
55.01874	3.8
55.05496	1.6
60.04514	1.7
61.01147	10.7
62.02247	0.7
66.43850	0.6
67.05502	2.1
69.03413	1.1
69.07060	1.0
70.06612	1.2
70.74358	2.0
71.04986	1.8
72.04520	12.6
73.02923	2.2
77.00618	0.7
78.03790	23.3
79.43987	0.7
81.03391	1.7
81.07055	2.9
83.04980	2.4
85.02901	17.4
86.06071	4.0
91.05486	3.2
93.06999	1.2
95.08597	2.2
97.06540	1.4
99.04449	12.0
102.03764	37.8
103.02164	3.6
103.03939	30.6
104.01687	1.8
105.07040	0.9
107.08552	0.8
109.02885	5.4
109.10152	1.2
112.07545	1.4
114.03758	3.4
114.05522	3.1
115.05037	0.9
115.08521	0.8
118.03252	1.1
120.04807	9.0
120.08111	1.1
126.05517	31.9
127.03921	11.8
129.81148	0.7
131.05441	1.3
131.06389	20.2
132.04794	15.5
135.11630	0.9
141.06606	1.5
145.04948	1.0
147.05885	2.5
149.07436	92.5
152.07054	4.2
154.08591	4.2
156.06598	1.7
158.02708	1.8
161.13269	0.7
175.05380	3.9
177.05521	0.8
180.06551	22.5
198.07617	7.2
216.08737	5.8
222.07907	1.6
231.11661	7.3
233.09528	1.5
257.09543	3.9
275.10611	5.8
293.11652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51628	0.2
55.05518	0.5
60.37579	0.2
63.70885	0.2
65.03937	0.5
66.11774	0.2
67.05503	1.1
67.71342	0.2
69.03449	0.3
69.07063	0.6
76.01620	0.2
79.05482	0.6
81.07063	2.0
83.05003	1.2
83.08629	0.5
85.06533	0.4
91.05486	5.8
93.07027	0.6
95.08624	1.9
97.06515	0.3
98.21596	0.4
105.07037	0.5
105.95900	0.2
107.04964	1.6
107.08577	0.6
109.10167	1.1
110.61729	0.2
111.04482	1.3
111.08096	0.3
111.20242	0.2
119.04951	16.5
119.08604	0.4
121.10146	0.5
123.11702	0.5
131.08577	0.2
133.10149	0.3
136.96858	0.2
137.13268	0.6
147.04417	100.0
148.04781	0.8
149.76558	0.2
183.81879	0.2
187.07487	0.5
201.05475	1.8
215.06926	0.3
217.05025	0.3
275.09125	4.5
275.20096	0.6
293.10147	1.2
293.17770	0.2
293.24722	0.7
293.28232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93685	2.3
56.96535	3.5
57.03424	11.1
58.06596	3.9
60.04530	3.6
60.05632	7.7
62.50938	2.2
66.92455	2.7
68.28413	2.3
69.03419	6.8
69.79472	13.8
70.06574	10.3
71.04980	2.9
71.06919	8.1
73.02914	4.1
79.85442	2.5
79.96279	2.6
84.04488	5.3
84.96020	2.4
85.02897	12.6
94.93002	3.9
97.02873	8.9
98.97589	15.5
99.04436	3.5
99.88737	2.3
101.00865	7.1
110.97597	3.8
116.07030	3.5
116.98576	7.1
118.08652	87.5
119.01917	25.2
119.08997	47.3
127.03947	5.2
128.98602	4.9
131.01942	19.1
133.03438	3.3
134.99603	3.2
137.01877	6.7
137.02953	6.2
137.52008	3.8
140.02277	5.0
143.01913	33.5
145.03419	4.7
149.02863	3.4
152.02377	4.9
155.01941	11.9
157.03514	3.4
158.99652	4.4
161.02956	81.8
162.03139	3.3
170.99629	2.6
173.02974	40.8
173.04474	4.0
175.04552	4.6
175.11923	14.4
176.01030	3.6
176.12154	14.2
176.13756	5.0
176.16426	9.5
177.00691	5.0
182.03340	10.1
184.04489	3.4
185.02924	8.4
187.04623	3.4
189.00667	5.1
191.03932	30.4
191.54045	3.8
200.04317	5.3
201.00665	5.4
203.04013	27.6
211.55234	3.2
212.04781	3.0
215.04115	2.4
219.01659	6.1
221.05075	4.9
233.04994	8.6
237.02888	6.2
245.05042	3.2
261.02817	3.2
263.06000	8.4
272.06494	9.4
275.06085	4.5
293.06308	100.0
312.83508	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60137	0.2
56.96551	0.4
57.03436	0.4
58.06590	1.8
59.07374	1.7
60.05650	6.0
70.06592	10.3
70.88181	0.5
70.88524	0.4
71.05001	0.5
72.08158	0.8
82.96208	0.3
85.02910	0.4
98.97586	0.7
104.71870	0.3
112.08739	0.5
116.07096	5.1
118.08655	100.0
119.01872	0.4
119.08992	1.4
128.98587	0.5
130.09767	2.2
146.99658	0.3
156.04321	0.3
157.10847	0.6
158.09238	1.7
159.72827	0.3
161.02966	1.0
170.99785	0.3
175.11908	34.2
176.01118	0.4
176.12096	0.4
179.27444	0.3
191.03903	1.0
201.00710	0.4
203.04062	0.3
214.09204	0.3
256.92389	0.3
261.02972	0.3
263.05994	0.6
272.06589	0.5
292.12476	0.5
292.19733	1.4
293.06317	1.1
305.14569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2682
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
55.05514	7.5
57.07058	4.7
57.51885	1.2
63.40611	1.2
67.05500	8.2
69.07065	30.4
70.45045	1.2
71.37863	2.2
79.05472	4.7
81.07054	22.7
83.08630	8.4
83.87260	1.3
85.06553	5.9
87.45832	1.5
91.05474	2.1
93.07036	20.1
95.08596	24.6
97.10136	3.6
99.08092	6.5
99.72301	1.2
102.83174	1.3
105.06987	4.3
107.08589	34.8
109.10162	17.7
111.08110	1.2
111.11685	1.6
113.09621	1.3
118.31833	1.3
119.08559	5.2
121.10143	20.9
123.11702	9.3
124.49237	1.2
125.13232	1.4
125.60578	1.5
127.11213	2.4
133.10088	3.1
135.11684	10.2
137.13234	5.5
138.00760	1.3
143.14276	1.6
147.11659	2.5
149.13254	32.8
161.13193	1.8
163.14824	100.0
164.15123	1.9
177.16362	3.9
191.17932	5.5
191.42781	1.3
205.19452	2.0
209.19034	1.4
217.19423	1.3
235.20674	1.5
247.24191	4.1
251.88724	1.5
273.25708	3.2
280.36099	1.2
291.13715	1.4
291.19586	4.1
291.23462	2.5
291.26788	41.8
292.27203	1.9
304.64755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03927	1.5
55.05510	18.3
57.03431	2.6
57.07077	8.7
59.05004	2.3
63.07664	1.3
65.03957	2.2
67.05507	22.2
69.03432	3.1
69.07072	100.0
69.96062	2.9
69.96468	4.2
70.07397	1.8
71.04984	5.0
71.08630	2.6
79.05499	13.7
81.03443	1.5
81.07063	72.6
82.07388	5.1
83.05002	2.3
83.08624	20.3
85.06547	6.0
91.05493	9.6
93.07044	29.3
95.04968	4.3
95.08611	66.9
96.08955	3.8
97.06514	10.7
97.10155	8.0
98.20844	1.7
98.97611	1.7
99.08085	3.0
105.07027	13.8
105.75542	1.3
107.08603	35.0
109.06529	3.9
109.10164	43.2
110.10480	2.3
111.08092	5.8
111.11717	20.4
117.07019	3.5
119.08612	10.5
121.10151	25.2
122.10490	3.3
123.08077	1.6
123.11716	24.6
124.12026	3.3
125.09631	2.0
125.13263	1.8
127.11207	1.5
129.07027	3.1
131.08571	6.1
133.10110	12.0
135.11708	17.5
137.13271	11.8
139.11195	16.7
141.07077	1.4
145.10129	6.4
147.04385	1.4
147.11736	8.1
149.13266	17.8
151.14864	3.7
153.12781	7.3
159.11693	5.3
161.13264	6.7
163.03934	3.4
163.14816	8.6
165.12848	2.4
167.14351	2.2
171.11693	2.1
173.02434	1.4
173.13303	2.2
175.14809	3.1
177.16406	6.3
189.16370	3.5
191.17987	2.9
192.09143	1.5
202.07793	5.0
203.08549	4.4
203.18004	2.3
205.19496	2.0
212.30646	1.5
213.16324	1.7
215.07088	4.7
217.19557	2.2
219.08104	2.4
220.08838	2.9
231.08060	9.8
232.08823	1.9
235.20514	2.4
245.05711	1.7
245.08144	1.7
248.08307	4.2
259.07516	7.9
260.08286	9.8
263.10916	1.8
273.18549	2.6
273.25644	8.9
276.07843	5.3
291.10205	31.8
291.19598	6.4
291.23160	2.9
291.26804	53.6
292.10541	4.5
292.27219	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2684
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
55.05515	6.3
57.07078	3.4
63.89742	0.6
67.05508	6.1
69.07070	29.3
69.46741	0.6
69.47053	5.6
74.10391	0.6
79.05487	4.4
81.07062	20.4
83.08617	8.7
85.06542	5.3
91.05479	2.9
93.07045	17.0
95.04949	0.9
95.08609	22.5
97.10172	2.9
99.08086	5.5
105.07018	2.4
107.08597	29.3
108.08921	0.6
109.06524	0.6
109.10161	15.6
111.08102	1.2
111.11760	0.9
113.09631	1.1
119.08585	2.7
121.10142	15.5
122.83198	0.6
123.08047	0.9
123.11722	8.3
125.09653	0.9
125.13252	1.4
127.11208	2.3
133.10112	1.8
135.11711	9.4
137.13263	3.6
143.14334	1.4
147.11678	1.9
149.13264	30.2
150.13570	1.0
151.14827	0.9
153.12791	0.8
161.13264	1.0
162.61082	0.5
163.14827	100.0
164.15189	1.9
165.12791	0.7
165.16455	0.9
175.14809	0.7
177.16360	4.9
191.17953	4.8
203.17880	1.0
205.19499	1.4
217.19456	0.8
221.18910	1.4
235.20593	1.4
247.24254	3.2
258.78342	0.6
264.45935	0.6
264.75143	0.6
273.25790	2.1
291.26831	36.1
292.27213	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.62492	0.8
53.03949	1.5
55.01870	1.9
55.05264	1.2
55.05511	16.3
57.03421	1.3
57.07080	10.1
59.04996	1.2
65.03918	1.3
67.05507	31.4
69.03449	1.2
69.06725	2.0
69.07069	28.3
69.49678	1.0
71.05009	7.2
71.08617	4.1
73.06530	1.0
79.05497	11.8
81.03435	2.1
81.07061	75.2
82.07396	2.2
83.04979	2.6
83.08222	1.0
83.08636	13.6
85.06528	2.8
91.05457	5.7
93.07050	19.7
95.04946	3.9
95.08610	100.0
96.08947	3.3
97.02907	1.6
97.06520	3.7
97.10178	6.9
99.08055	2.2
105.07036	10.0
107.04953	2.0
107.08601	20.2
109.02893	1.1
109.06530	2.2
109.10162	70.5
110.10444	1.4
111.08064	3.1
111.11736	5.3
113.09661	2.2
117.07037	2.3
119.08595	9.2
121.10145	16.9
123.08081	1.4
123.11713	33.4
124.05267	0.9
125.09573	1.8
127.11193	7.0
129.06973	4.3
131.08574	3.8
133.10107	6.9
134.49521	1.0
135.08051	3.0
135.11696	14.4
137.09615	1.1
137.13251	18.2
139.11198	2.0
141.06972	1.6
141.12744	1.4
143.08517	1.2
145.10112	3.3
147.07964	1.4
147.11693	6.0
149.13263	17.0
151.07573	1.2
151.14824	24.0
152.15161	1.6
153.12741	7.0
157.06520	3.2
157.10155	1.9
159.11723	1.5
161.09653	2.3
161.13234	6.1
163.14871	9.3
165.16399	1.4
167.14282	1.7
175.14799	2.7
177.16396	3.8
181.15958	1.2
185.05913	1.6
189.09152	2.6
189.16470	2.6
191.17921	3.2
195.17439	1.2
203.17941	4.9
205.19478	5.8
213.05621	1.4
217.08640	1.3
217.15839	1.1
217.19571	5.3
221.19025	2.0
221.41776	0.9
227.07033	1.9
240.04234	1.0
245.08098	5.9
255.17351	1.3
263.27286	1.3
273.07690	1.8
273.18466	5.1
273.25781	11.7
282.99213	1.0
291.08554	4.6
291.19489	8.6
291.26816	53.3
292.19751	1.1
292.27170	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03929	1.5
55.01880	0.6
55.05512	6.8
56.29884	0.5
57.07082	0.6
65.03931	1.6
67.05503	45.5
69.03438	0.5
69.07069	6.1
70.22237	2.6
77.03888	0.8
79.05491	47.0
80.05830	0.9
81.07054	28.4
82.07403	0.6
83.04984	1.2
83.08601	3.8
85.06548	1.5
88.07626	0.7
91.05475	10.9
93.07041	59.8
95.04965	3.3
95.08601	19.5
97.06507	1.2
97.10158	1.3
105.07014	5.1
107.05007	0.5
107.08589	27.2
108.08901	0.6
109.06525	1.6
109.10154	5.2
111.08074	0.9
117.07021	2.3
119.08562	4.3
121.10139	90.1
122.10487	1.4
123.04429	0.8
123.08086	1.2
123.11669	1.0
125.09611	0.7
128.67401	0.5
131.08536	4.1
133.10138	4.9
135.08076	1.2
135.11687	56.2
136.12033	0.6
137.09625	1.6
143.08539	0.9
145.10114	3.6
147.11644	3.1
149.09595	1.2
149.13261	11.7
151.11169	0.9
155.10666	0.7
159.11691	6.1
161.13206	2.1
163.11195	5.3
163.14864	2.0
169.03931	0.5
171.11652	1.1
173.13297	1.7
175.14845	1.5
177.12752	6.1
185.13348	0.9
191.14330	0.9
195.13800	1.7
199.14813	0.7
209.15411	2.9
241.19498	3.6
243.25316	0.9
259.20609	6.8
263.65988	0.6
273.18423	1.0
291.23175	100.0
291.26776	4.1
292.23434	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02354	1.2
53.03934	2.7
55.05512	17.5
57.03427	1.1
57.07062	4.2
59.05012	1.0
67.05507	32.7
69.03416	1.2
69.07076	16.9
71.04996	1.8
71.09061	1.7
71.09417	2.2
73.06566	1.1
79.05492	56.8
79.25301	1.0
81.07056	44.9
82.70268	1.0
83.04945	1.7
83.08597	6.8
85.06516	3.5
91.04907	1.3
91.05476	21.2
93.07043	75.9
95.04976	7.1
95.08607	33.0
95.09523	1.1
96.26772	0.9
97.06522	3.7
97.10175	4.1
99.08115	1.5
105.07021	16.4
107.08598	47.5
109.06517	15.4
109.10158	15.7
113.22924	1.1
114.57153	1.0
117.06999	2.7
119.08579	14.7
121.06515	1.5
121.10141	44.5
123.08033	1.8
123.11725	3.2
125.09650	1.1
129.06950	1.1
131.08566	5.2
133.09207	1.9
133.10118	13.7
135.08109	2.9
135.11688	35.8
137.13295	1.4
139.03946	1.4
143.08621	2.0
145.10104	5.9
147.11678	10.2
149.09608	2.8
149.13254	30.7
157.10110	2.0
159.11694	4.4
161.09644	1.9
161.13229	6.9
163.11191	3.4
163.14822	11.7
165.12747	8.1
171.11711	2.4
173.13286	4.0
174.35240	1.2
175.11272	1.1
175.14841	5.4
177.12788	2.6
177.16351	1.1
178.78160	1.0
179.91376	0.9
185.13243	3.2
189.12726	1.6
193.62856	1.0
195.13783	1.8
199.14925	1.9
203.14368	1.2
207.13812	1.5
209.15332	2.2
213.16269	1.3
217.15973	1.4
217.19521	2.9
233.15260	1.0
235.16969	4.7
241.19339	5.1
249.18451	2.5
259.20621	8.9
291.23178	100.0
292.23413	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
55.01873	1.2
55.05513	7.0
57.03435	1.5
57.07066	3.6
67.05511	14.0
69.03426	3.2
69.07075	16.6
69.36861	7.8
71.04984	2.1
76.95057	0.8
79.05492	3.8
81.07067	20.1
83.04963	1.8
83.08617	4.6
85.06532	3.7
91.05489	4.4
93.07047	9.6
95.04970	3.2
95.08614	27.6
97.06508	2.4
97.10173	2.5
99.08070	1.5
102.24303	0.9
105.07033	9.1
106.07359	0.9
107.08602	15.5
109.06538	2.2
109.09456	1.9
109.10167	26.8
111.08082	3.4
113.09631	1.5
119.08597	13.0
121.06516	6.1
121.10157	13.4
122.10466	1.1
123.08070	8.1
123.11710	12.6
125.09714	1.5
131.08578	3.6
133.10114	8.6
135.08061	3.3
135.10947	0.8
135.11732	8.2
136.08844	1.0
137.09627	20.0
137.13252	8.7
143.08556	1.7
145.10107	3.0
147.08032	1.4
147.11694	3.9
149.09619	2.6
149.13295	5.1
151.07515	1.8
151.11185	5.5
152.61263	0.9
157.10149	2.3
159.11685	5.2
161.09676	1.6
161.13307	7.4
163.11201	7.5
163.14842	3.8
165.12698	1.1
171.11674	2.5
173.13295	3.5
175.11169	1.1
175.14827	5.8
177.12772	3.1
177.16347	5.0
178.13504	3.1
179.14339	3.3
187.14836	1.3
189.12796	1.2
189.16403	3.7
191.14282	5.0
193.15880	1.2
199.14873	2.0
201.16357	1.9
203.14343	1.5
203.18024	1.3
205.15819	1.5
206.16760	1.5
207.17445	0.9
208.47678	1.1
215.17926	2.6
217.15897	1.4
221.15436	1.1
231.20940	1.2
233.19106	1.1
235.16905	6.9
245.22665	1.9
247.26118	0.9
249.18518	2.6
255.21086	2.5
273.18555	2.7
273.22119	8.2
282.88339	0.9
291.19788	7.2
291.23190	100.0
292.23483	3.0
297.48218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03938	5.0
55.05516	19.2
57.07081	2.9
67.05506	34.4
69.07074	15.9
70.87231	3.5
70.87585	4.1
71.81870	1.9
77.03932	2.5
79.05492	73.0
81.03461	1.8
81.07055	43.4
83.04955	2.3
83.08617	6.0
85.06512	2.4
91.05479	31.9
93.07045	100.0
95.04951	5.9
95.08609	37.4
96.04265	2.0
97.06504	2.5
97.10174	3.7
103.71159	2.0
105.07031	21.0
107.08598	56.9
109.06487	4.2
109.10149	15.4
110.17601	2.0
117.06998	3.9
119.08572	15.8
120.90495	1.9
121.09319	3.2
121.10143	46.5
123.08091	2.6
123.11698	3.2
131.08569	6.8
131.38449	2.2
133.10136	12.7
135.11681	49.8
136.12054	2.0
137.09657	2.5
140.54037	2.1
143.08559	2.2
145.10081	3.1
147.11696	11.6
149.09644	2.6
149.13271	36.2
157.10117	3.4
159.11699	6.5
161.13249	6.4
163.11127	4.1
163.14832	9.0
171.11711	3.0
173.13211	3.8
175.14838	5.2
177.12718	4.0
189.12805	3.3
199.14813	2.9
209.15366	2.3
213.16420	3.0
231.20912	2.7
241.19562	7.0
249.18362	2.5
259.20609	7.6
291.19952	2.9
291.23178	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75158	1.8
53.03933	5.5
55.05274	2.1
55.05510	15.5
57.07072	4.4
66.03165	1.7
67.05509	33.7
69.07069	14.7
70.65142	5.5
73.29137	1.6
78.28888	1.6
79.05497	72.5
81.07059	45.0
83.08613	7.8
85.06541	2.0
91.05475	26.6
93.07048	100.0
95.04993	8.4
95.08609	28.7
97.10173	4.1
99.08024	1.7
104.84638	1.7
105.07021	13.5
107.08601	58.5
109.06509	3.0
109.10159	17.4
117.07006	4.8
119.08586	13.6
121.10147	44.9
123.11724	2.4
129.07048	2.2
131.08560	7.3
133.10152	12.1
135.11708	50.5
137.09613	3.1
139.11032	1.7
143.08647	2.8
145.10159	4.2
147.11691	12.2
149.09589	4.2
149.13257	32.5
157.10130	2.9
159.11681	5.5
161.09631	2.4
161.13269	8.0
163.11168	3.4
163.14813	9.1
171.11694	4.1
173.13261	2.4
175.14845	4.9
185.13249	4.4
199.14923	2.9
209.15297	2.4
213.16508	3.0
231.17471	3.1
231.21216	1.8
241.19505	6.1
259.20605	9.4
291.19916	4.3
291.23199	83.9
292.23523	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	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03940	2.0
55.01866	1.6
55.05509	10.1
56.96565	2.0
57.03425	1.0
57.07074	2.2
59.04984	1.3
60.65250	0.8
65.03918	1.7
66.37103	0.7
67.05502	49.0
69.03427	1.1
69.07065	8.9
71.05002	1.8
71.59049	0.7
77.03893	0.8
79.05489	47.0
81.03404	2.1
81.07053	34.7
83.04984	2.6
83.08617	5.3
85.06544	3.2
91.05478	15.4
93.07037	62.9
95.04957	6.3
95.08603	20.6
97.06512	1.7
97.10167	4.4
99.08133	0.8
103.05516	0.8
105.07027	9.8
107.04952	6.6
107.08586	25.1
109.06530	2.5
109.10149	7.1
111.04452	0.7
113.61936	0.6
117.07015	5.3
119.08575	10.4
121.06505	2.3
121.10137	84.9
122.10473	1.6
123.04420	0.7
123.08047	2.4
123.11706	2.0
125.09621	2.7
129.06993	1.8
129.09088	0.9
130.07832	1.1
131.08542	7.2
133.06476	1.4
133.10127	7.2
134.07269	0.8
135.08087	3.0
135.11685	54.8
136.12064	0.8
137.09624	2.0
139.03894	1.3
143.08580	2.0
145.10121	6.7
147.08072	2.4
147.11711	3.9
149.09645	4.5
149.13248	9.8
151.11179	1.1
157.10159	2.5
159.11679	7.1
161.09628	1.5
161.13217	3.3
163.11165	6.2
163.14825	2.6
165.09065	0.8
165.12727	1.1
171.11676	3.0
173.13278	2.9
175.02734	0.9
175.11177	1.3
175.14819	1.9
177.12756	4.6
185.13257	1.3
186.99173	0.8
189.11206	1.0
189.12776	1.5
191.14299	0.8
195.13800	2.9
199.14847	0.9
207.13751	1.2
209.15427	2.6
223.01273	1.3
235.17146	0.9
241.19440	3.3
245.18941	1.3
249.18446	0.8
255.17284	1.2
259.20544	6.9
273.18439	5.8
291.19589	44.2
291.23181	100.0
292.19833	2.8
292.23578	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03925	2.1
55.01858	1.0
55.05510	8.6
56.64978	0.8
57.07075	1.3
65.03915	2.2
66.65810	0.7
67.05503	54.4
69.07062	8.7
69.98807	3.3
69.99230	1.5
71.04981	1.4
79.05489	43.4
81.03410	1.1
81.07053	41.1
83.04952	3.0
83.08621	4.7
85.06532	3.0
88.48701	0.8
90.58174	0.7
91.04967	1.0
91.05486	14.4
93.07040	62.7
94.07384	0.9
95.04950	5.4
95.08605	21.4
97.06493	1.4
97.10165	2.0
98.20847	1.0
99.08066	1.0
105.07024	8.9
107.04968	1.2
107.08595	31.0
109.02874	1.6
109.06481	3.2
109.10143	6.7
111.08086	1.2
117.06985	3.7
119.08585	6.9
121.06495	1.7
121.10138	70.3
122.10445	1.3
123.04396	1.6
123.08043	2.8
123.11691	1.9
125.09665	1.1
129.06978	1.8
131.08574	6.2
133.10123	6.0
135.08052	3.5
135.11687	75.1
137.09592	2.2
139.03877	2.9
143.08513	2.4
145.10126	5.9
147.07997	1.1
147.11737	4.7
149.05922	0.7
149.09596	3.1
149.12193	1.0
149.13269	12.5
151.07533	1.0
151.11157	1.1
157.10094	1.4
159.11684	8.7
161.09526	1.0
161.13232	2.8
163.11195	5.8
163.14819	3.2
171.11612	2.6
173.13225	2.6
175.14807	1.8
177.12762	7.4
179.02017	1.0
185.13275	1.5
188.79556	0.9
189.12704	1.2
191.14275	1.4
193.12161	1.3
195.13768	2.2
199.14772	1.5
209.15340	3.1
241.19441	4.2
255.17517	0.9
259.20554	7.8
273.18521	4.5
291.19574	15.0
291.23129	100.0
292.19998	1.4
292.23523	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.97955	0.6
53.03931	1.7
55.05508	5.2
57.07057	0.6
65.03926	2.1
67.05503	39.0
69.03411	0.7
69.07053	4.4
70.06348	1.5
70.06736	1.4
79.05490	34.5
81.07055	26.9
83.04962	0.6
83.08604	2.4
85.06528	1.8
89.22424	0.6
91.05473	9.3
93.07039	50.1
93.38016	0.6
95.04961	2.5
95.08601	14.2
97.06517	1.5
97.10146	1.3
105.07028	4.8
107.08589	21.5
109.06517	1.1
109.10159	3.8
111.08090	1.1
117.07001	1.5
119.08572	4.1
121.10139	72.8
122.10488	0.9
123.08046	1.3
123.11665	1.1
129.07010	0.9
131.08542	3.1
133.10133	3.6
135.11687	52.2
136.12039	0.9
137.09596	1.3
145.10092	3.8
147.11673	2.1
149.09544	1.1
149.13260	8.9
155.10710	0.7
157.10123	0.8
159.03017	0.6
159.11667	4.8
161.13243	1.0
163.11177	3.8
163.14825	1.2
173.13232	2.1
175.14795	1.9
177.12753	4.3
195.13820	1.5
199.14737	0.8
209.15364	2.2
241.19502	2.4
243.25146	0.8
249.18457	0.7
259.20590	6.6
273.18497	1.2
291.23160	100.0
292.23480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.62121	0.5
55.01860	0.9
55.05521	3.9
57.03436	0.7
57.07077	3.4
59.05010	2.7
67.05516	4.2
69.03430	2.7
69.07064	2.2
70.02272	3.2
71.05003	3.5
75.41850	0.6
79.05495	6.1
81.07060	5.6
83.04982	1.8
83.08617	4.0
85.02892	1.0
85.06541	2.2
91.05486	5.8
93.07045	9.4
95.04966	4.7
95.08609	13.9
97.06527	2.8
97.58477	0.6
99.08152	0.7
105.07032	10.3
107.04955	6.1
107.08601	7.6
108.05746	0.8
109.06529	7.4
109.10151	4.0
111.08085	23.9
111.10789	0.5
113.05992	0.8
113.09666	1.1
115.05465	0.5
117.07010	2.1
119.08584	8.1
119.81505	0.6
119.87402	0.4
121.06518	2.1
121.10165	7.1
122.07290	1.6
123.08079	36.2
123.11703	1.2
125.09622	1.7
128.06210	0.8
129.07010	1.4
130.07759	0.8
131.08586	6.1
133.06493	3.8
133.10139	7.1
135.08078	5.4
135.11700	3.1
137.06004	0.5
137.09637	4.4
139.07527	0.7
141.05493	0.7
142.07805	1.3
143.08556	2.2
144.09427	0.6
145.10132	13.4
147.08084	3.0
147.11700	6.8
149.09639	4.5
149.13332	0.7
150.10432	0.6
151.07552	100.0
152.07875	1.3
153.09105	0.8
155.08545	0.9
155.10670	2.1
156.09338	2.4
157.10138	5.1
158.10936	1.0
159.08025	2.2
159.11696	4.2
161.09601	4.6
161.13277	2.2
163.11176	3.8
165.09111	1.1
165.12738	0.7
169.10071	0.9
171.11673	4.3
172.12468	0.6
173.09715	1.2
173.13260	5.8
174.10417	2.3
174.75449	0.5
175.11205	3.5
177.09195	0.9
177.12761	2.3
179.10713	4.7
181.12209	0.6
182.10913	0.7
183.11603	0.7
185.13242	1.5
187.11205	2.8
187.14775	1.6
189.12758	28.6
190.13197	0.9
191.10707	1.3
191.14297	6.5
192.11449	4.8
195.11682	0.6
197.11746	16.7
197.13313	2.1
203.14366	2.3
205.12309	1.0
207.13817	65.4
208.14194	1.1
211.14894	1.0
213.16370	2.8
215.14317	5.5
217.12279	4.0
229.23576	1.9
231.17424	2.0
233.15367	18.7
235.13271	2.0
237.16434	0.8
255.17380	3.7
273.18497	9.4
291.19565	55.8
291.26865	3.3
292.19876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03933	2.9
55.01866	5.9
55.05507	16.4
57.03417	4.1
57.07064	4.8
57.74197	1.1
59.04989	2.1
65.03922	4.2
67.05172	1.7
67.05503	25.0
68.99792	1.5
69.03427	6.9
69.06716	1.6
69.07064	21.8
70.06571	3.9
71.04980	5.5
71.08633	1.5
71.59575	2.0
79.05058	1.9
79.05489	26.1
81.03407	4.7
81.06585	2.0
81.07055	38.8
83.04987	6.6
83.08611	10.4
84.04498	9.3
85.02883	5.6
85.04824	4.5
85.06528	4.6
91.05476	23.5
93.03397	3.0
93.06473	2.4
93.07041	39.5
95.04972	9.5
95.08604	32.7
97.02880	5.7
97.06514	7.2
97.10201	5.7
97.10692	1.3
99.04455	1.7
103.03953	1.4
105.06376	2.1
105.07031	26.8
107.04977	9.0
107.08595	27.5
109.02870	2.7
109.06511	24.2
109.10146	15.2
111.04407	2.7
111.08077	9.4
111.11712	3.8
115.05473	2.6
117.07021	10.4
119.08581	19.2
121.02845	1.7
121.06528	6.9
121.10139	39.8
123.07296	1.7
123.08081	16.9
123.11697	8.2
124.05209	2.6
125.05922	1.3
125.09653	6.5
127.03907	1.6
127.05842	1.5
128.06200	4.4
129.07002	15.4
131.08543	14.9
133.06474	3.9
133.10139	13.8
135.04404	1.9
135.08060	17.1
135.11700	9.4
137.05954	3.4
137.09605	5.7
137.13217	4.1
139.03896	2.7
139.11150	3.1
141.07001	3.7
142.07797	2.0
143.08577	6.1
145.02815	1.5
145.06439	2.9
145.10124	13.8
147.04395	4.7
147.08022	8.9
147.11681	9.1
148.08826	3.7
148.16565	1.3
149.02321	1.4
149.09618	18.4
149.13234	5.4
151.03902	3.9
151.07545	19.6
151.11166	2.3
151.14668	1.2
153.09029	2.2
155.04921	1.8
155.08505	2.7
156.09395	2.2
157.06499	13.2
157.10117	8.4
158.10895	1.5
159.08044	3.4
159.11653	6.2
161.05916	2.0
161.09636	9.4
161.13245	3.7
163.03931	6.8
163.11169	4.8
163.14818	3.7
167.03516	1.3
167.04904	3.5
167.10674	76.6
169.06509	3.6
169.10075	2.8
169.53175	1.2
171.08099	1.4
171.11708	5.7
173.09613	3.0
173.13231	5.9
174.06773	1.8
175.07536	1.3
175.11198	5.5
175.14905	1.9
177.05544	1.7
177.16315	2.2
179.10669	2.2
181.10069	1.4
182.10974	1.2
184.05215	1.4
185.06000	5.3
185.13252	4.0
187.11151	2.2
187.14774	2.3
188.08305	3.3
189.05466	2.2
189.09148	9.3
189.11156	2.0
189.12737	8.1
189.16377	2.0
191.10678	3.8
191.14278	4.1
191.17847	1.4
195.11679	2.9
197.11665	2.4
197.13315	2.6
199.07495	6.5
199.14786	2.5
203.08607	1.4
203.14375	1.4
207.13831	12.1
213.05505	3.1
213.12790	1.6
213.16376	2.4
215.07028	2.6
215.14299	3.7
217.08627	8.7
217.12297	1.4
217.15866	3.1
227.07039	6.0
227.17937	2.8
231.17453	1.7
233.15382	15.3
235.20538	1.9
237.16321	1.4
245.08063	23.9
245.19025	2.9
248.08360	1.5
255.17467	5.9
273.07666	5.0
273.18500	35.8
273.25751	4.6
274.18860	1.3
285.06201	1.2
291.08624	28.5
291.16037	5.9
291.19531	100.0
291.26651	15.5
292.19711	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
52.71252	2.0
53.03943	8.7
54.90336	2.3
55.01872	14.4
55.05511	22.2
56.02269	1.9
56.24132	2.0
56.36774	2.0
57.03435	5.8
57.07069	2.2
61.38919	2.0
65.03941	3.4
67.05506	53.4
69.03426	4.8
69.07071	17.2
70.31889	8.1
71.04981	6.3
79.05493	46.0
81.03432	16.3
81.07057	61.6
83.04983	12.4
83.08622	11.6
85.06551	2.5
85.58162	2.3
91.05482	41.1
93.07047	46.2
95.04961	21.1
95.08605	83.9
97.06544	8.5
97.10161	2.5
98.21403	2.9
104.10731	7.2
105.07042	28.4
107.04950	20.5
107.08594	29.2
109.06518	19.7
109.10157	14.6
111.08080	8.2
115.05489	3.4
117.07005	16.7
119.05002	2.7
119.08580	29.3
121.06495	11.0
121.10130	18.5
123.04478	2.3
123.08066	29.5
123.11719	4.8
125.06004	3.5
128.06226	3.3
129.07014	8.6
129.72786	2.3
131.08566	21.5
133.06548	11.0
133.10135	21.6
135.08055	34.3
135.11705	8.5
137.05971	3.3
137.09625	9.8
139.07535	2.4
143.08604	11.3
145.06503	2.5
145.10152	17.3
147.08052	11.5
147.11693	6.8
149.09621	13.2
149.13345	3.1
149.54849	2.7
151.07570	9.5
151.11209	5.9
153.09178	2.2
157.08656	2.0
157.10208	9.4
158.55443	2.9
159.08099	3.0
159.11711	7.1
161.09607	19.0
161.13281	6.5
163.11171	3.8
165.09160	2.3
167.10680	3.5
169.10161	2.1
171.11714	8.4
173.09720	2.5
173.13263	4.2
175.09868	2.6
175.11223	10.1
175.14946	2.4
177.09157	3.1
179.10741	3.2
185.13257	4.0
187.11200	4.7
187.14886	3.4
189.12764	6.6
191.14388	4.5
199.11110	2.5
199.14836	2.3
203.14354	3.1
207.13899	5.2
213.12851	2.2
217.15857	6.1
227.17978	4.6
233.15509	5.4
237.16316	2.9
237.71056	2.1
240.09851	2.3
245.06041	6.2
245.19066	6.3
249.18698	3.0
255.17442	8.5
263.19980	3.8
273.18500	50.2
273.25110	2.3
290.36945	2.3
291.06476	5.5
291.09821	3.5
291.19553	100.0
291.22800	4.7
291.26263	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	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03937	0.7
55.01879	1.5
55.05269	0.6
55.05514	8.5
56.96544	0.9
57.03423	0.5
57.07080	2.0
59.05000	0.4
65.03929	0.3
67.05509	5.0
69.03418	1.2
69.07071	4.0
69.59872	2.4
70.06557	0.3
71.04990	1.0
71.08631	2.0
72.72705	0.3
79.05495	7.4
81.03408	0.5
81.07063	9.1
83.04996	1.5
83.08150	0.3
83.08624	4.8
85.06570	0.3
86.09679	0.5
86.40116	0.3
90.84439	0.3
91.05482	6.4
93.07047	7.4
94.04178	0.3
95.04977	3.5
95.08608	6.2
97.06541	0.6
97.10178	3.1
98.21492	0.4
101.23285	0.3
103.05424	0.4
104.10734	0.5
105.03397	0.3
105.07033	6.6
107.04967	2.1
107.08594	5.1
108.05753	0.4
109.06516	1.2
109.10152	3.2
111.08077	0.7
115.05501	0.5
116.06252	0.6
117.07014	2.8
119.04942	1.4
119.08585	6.6
120.05738	0.3
121.06507	2.1
121.10146	2.2
123.08091	1.8
123.11716	1.5
125.00013	0.5
125.09628	2.2
128.06201	0.4
129.07031	1.6
130.07767	0.7
131.08563	3.5
133.06490	3.0
133.10124	2.4
134.07262	0.7
135.08057	1.8
135.11685	1.2
137.09619	0.7
137.13269	0.5
140.65083	0.3
142.07832	0.4
143.08589	1.6
145.06462	0.5
145.10118	3.0
147.08049	4.7
147.11671	0.5
149.09605	1.3
149.13225	0.7
149.54839	0.4
151.07553	0.5
153.09151	0.3
157.10136	1.3
158.55435	0.4
159.08000	0.4
159.11668	0.8
161.09602	1.5
161.13242	0.8
162.10437	1.2
163.11201	0.5
163.14790	0.7
165.09164	0.5
171.11644	0.7
175.11269	0.9
179.14313	0.5
185.13210	0.4
187.11157	0.3
189.11238	1.2
207.13777	0.4
207.84416	0.3
219.13922	0.3
223.13374	1.5
228.76852	0.3
233.15373	0.5
240.09964	0.8
245.19049	0.5
249.14835	1.9
249.18478	0.9
255.17540	0.7
273.18527	5.1
273.25729	0.4
291.19550	100.0
292.19855	1.2
301.20276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05499	5.7
57.07082	2.9
59.04988	3.1
65.47365	2.2
67.05502	4.1
69.02293	1.9
69.03432	2.3
69.07064	6.0
70.93092	6.5
72.76057	2.2
79.05513	5.1
81.07062	8.7
81.58674	2.1
83.04962	3.3
83.08597	4.6
85.06519	3.8
91.05491	4.5
93.07076	10.3
93.07569	2.0
95.05013	3.2
95.08603	13.4
97.06534	2.4
105.07058	10.5
107.04980	4.4
107.08617	6.5
109.06522	5.6
109.10184	4.2
111.08087	21.4
113.06042	2.3
119.08578	8.8
121.06525	2.0
121.10153	6.1
123.08080	35.0
129.07127	2.3
131.08594	4.2
133.10136	7.1
135.08066	6.5
135.11716	5.9
135.99660	2.2
137.09631	2.8
140.46239	2.1
145.10126	12.8
147.08052	4.6
147.11703	6.8
148.97977	1.9
149.09634	5.5
151.07552	100.0
157.10150	4.6
158.86389	2.3
159.11742	5.8
161.09567	4.4
163.11240	4.3
171.11670	3.4
173.09698	2.8
173.13239	7.4
174.10403	3.4
175.11223	4.3
179.10681	4.7
187.11142	2.2
189.12752	29.2
191.14354	6.9
192.11440	6.1
197.11694	13.8
197.13330	3.4
207.13823	65.2
215.14403	4.8
226.07915	2.6
233.15369	15.8
233.89851	2.5
235.13373	2.5
273.18567	9.2
291.19580	58.8
291.27133	5.8
311.27609	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01859	2.0
55.05505	7.2
57.07071	2.7
57.66718	1.0
59.04987	2.4
67.05492	3.7
69.03410	2.2
69.07057	1.9
69.57220	6.1
69.57648	3.0
71.04974	3.7
79.05497	9.5
79.18176	1.0
81.07079	6.2
83.04971	2.5
83.08614	9.4
85.02892	1.9
85.06548	1.7
85.59110	1.1
91.05482	4.1
93.07043	11.3
95.04955	6.1
95.08608	15.6
97.06528	6.3
105.07030	7.8
107.04974	12.8
107.08591	8.5
109.06517	7.3
109.10145	2.4
111.08084	43.7
113.09641	2.2
117.07033	1.9
119.08572	7.9
121.10153	8.0
122.07290	1.5
123.08077	34.9
123.11646	1.5
125.09660	2.1
129.07057	1.3
131.08566	5.4
133.06503	2.9
133.10141	11.7
135.08061	6.1
135.11668	3.3
136.22119	1.2
137.09612	2.4
143.08514	1.4
145.10088	4.5
147.08031	2.7
147.11726	7.0
149.09637	6.7
151.07545	100.0
153.09174	1.2
155.10658	3.5
156.09351	1.6
157.10112	4.3
159.08096	1.7
159.67398	1.2
161.09590	3.8
163.11203	3.7
165.09000	1.7
169.12170	1.3
171.11649	3.2
173.09668	2.2
173.13287	9.2
174.10417	1.2
175.11185	4.3
177.09149	1.4
179.10693	5.2
181.12262	2.6
184.78860	1.1
189.12750	28.8
191.14313	16.5
192.11456	4.2
197.11707	17.4
197.13278	1.8
207.13803	60.3
211.13281	3.8
213.16393	2.8
215.14316	4.4
217.12186	3.3
227.17946	1.3
231.17378	1.6
233.15372	56.7
235.13306	2.6
255.17372	2.2
273.18469	7.0
291.19547	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.78432	1.4
53.03920	1.6
55.01870	3.3
55.05514	19.4
55.07392	1.4
56.96559	1.9
67.05508	12.1
69.03425	2.6
69.07063	8.8
71.04992	1.7
71.60339	1.6
71.60704	1.9
79.05503	14.8
81.03397	3.4
81.07060	19.2
83.04988	10.9
83.08624	6.9
85.06538	2.3
91.05492	13.5
93.07056	18.6
95.04967	8.6
95.08612	21.0
97.10164	5.5
98.98448	2.5
99.27706	1.5
105.07032	12.2
106.70010	1.4
107.04958	5.3
107.08604	13.5
109.06532	4.3
109.10183	6.8
111.08067	2.0
117.07011	5.6
119.08589	10.8
121.06530	4.3
121.10140	5.1
123.04478	1.3
123.08114	6.8
123.11723	2.5
125.09654	3.6
129.07025	4.6
131.08572	8.0
133.06464	4.5
133.10149	7.9
135.08096	3.3
135.11667	3.4
137.09657	1.8
141.07002	1.4
143.08562	2.8
145.10123	4.1
147.08076	4.6
147.11729	2.8
149.09717	3.5
149.13263	2.2
151.07562	4.6
151.11160	1.7
157.10121	3.0
159.11694	1.7
161.09631	4.1
163.11133	2.0
163.14795	2.6
171.11678	2.0
173.13293	2.2
175.11194	2.3
185.13275	2.4
187.11128	1.6
189.12698	2.1
191.08426	1.6
207.13829	2.5
223.13422	1.7
233.15417	1.9
249.14726	2.0
255.17519	2.0
273.18445	13.0
291.06699	2.8
291.14059	4.0
291.19565	100.0
291.22910	5.1
291.26462	2.7
291.49356	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03940	1.0
55.01876	1.5
55.05510	8.1
56.96560	0.3
57.03414	0.4
57.07072	0.7
67.05168	0.4
67.05505	6.0
69.03426	1.1
69.07068	4.1
69.82433	0.4
69.82841	1.3
71.04987	0.8
71.08629	0.3
73.06552	0.3
79.05486	7.0
79.38953	0.2
81.03403	0.8
81.07057	7.4
83.04974	0.9
83.08620	3.4
85.06531	1.0
91.04910	0.4
91.05478	7.0
92.06276	0.3
93.06467	0.5
93.07044	9.2
93.07635	0.5
94.04172	0.3
95.04966	3.2
95.08607	4.7
97.06519	0.7
97.10157	3.0
98.21425	0.4
100.56224	0.2
103.05456	0.3
105.03459	0.4
105.07021	5.9
105.07679	0.4
107.04946	2.3
107.08601	5.1
108.05721	0.4
109.06520	1.1
109.10158	2.0
111.08075	0.7
115.05400	0.4
116.06240	0.3
116.27222	0.2
117.07011	1.8
119.04955	1.5
119.08582	5.9
120.05730	0.5
121.06484	1.6
121.10136	2.8
123.08092	1.3
123.11699	0.8
125.09650	1.9
128.06259	0.4
129.07007	1.6
130.07784	0.4
131.08568	3.3
133.06500	2.7
133.10124	2.5
134.07263	0.6
135.08069	1.3
135.11673	1.8
137.09589	0.7
139.03900	0.4
139.46741	0.3
143.08571	1.4
145.10110	2.3
147.08046	3.0
147.11697	1.9
149.09622	0.8
149.13235	1.2
151.07562	0.3
151.11201	0.3
153.09106	0.2
157.10146	0.9
159.11716	0.7
161.09627	1.4
161.13226	1.2
162.10416	1.0
163.11200	0.9
163.14845	0.9
165.09084	0.5
171.11729	0.9
175.11209	1.2
175.14848	0.9
185.13361	0.4
187.14771	0.3
189.12730	0.4
199.14835	0.4
203.14258	0.4
207.13780	0.4
217.19542	0.8
217.95961	0.3
223.13300	1.0
231.17386	0.4
241.19464	0.3
245.19064	0.4
249.14890	1.7
259.20581	0.8
261.14877	0.4
263.16699	0.3
273.18509	3.0
291.19556	100.0
291.22861	5.3
292.19974	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03943	3.5
55.01872	11.3
55.05509	44.5
57.03397	4.1
61.28000	2.7
62.99646	2.2
65.03930	2.8
67.05505	31.2
68.17070	2.2
69.03409	8.7
69.07072	13.4
70.09285	4.8
70.09682	6.8
71.04958	4.8
79.05072	3.2
79.05496	47.4
81.07057	62.3
83.04974	16.4
83.08621	20.6
84.57251	2.4
91.05479	56.9
93.03415	2.7
93.07051	28.9
95.04958	15.2
95.08611	15.2
95.92215	2.3
97.10172	20.2
98.21618	3.2
105.03387	4.4
105.07015	28.0
107.04961	13.5
107.08595	27.7
109.06516	5.5
109.10190	12.8
111.08056	8.4
115.05441	4.2
117.07024	25.0
119.08584	66.2
121.06496	13.7
121.10096	11.9
123.08038	9.8
125.09631	21.4
128.06223	3.5
129.07002	13.0
131.08572	26.4
132.05717	2.7
133.06474	5.4
133.10130	10.4
135.08069	22.0
135.11673	5.2
137.09630	6.4
141.07080	3.9
143.08571	11.9
145.10121	29.1
147.08052	47.7
147.11719	3.4
149.09604	9.4
151.07521	16.6
153.09106	3.9
157.06505	5.6
157.10114	7.7
159.08040	4.0
159.11678	8.0
161.09622	8.1
163.11156	3.5
171.11627	4.7
173.13251	3.3
175.11104	4.4
185.13274	3.9
189.09686	3.1
189.11209	19.2
189.12619	3.7
195.11705	3.5
197.11719	4.1
207.13797	9.8
213.12875	2.9
223.13353	5.0
227.17961	4.1
233.15363	3.5
245.08119	5.9
245.19087	4.8
249.14848	8.7
255.17427	9.5
273.18497	100.0
291.10123	4.8
291.19537	96.0
291.26752	6.4
314.25351	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	291.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01852	1.2
55.05516	10.4
56.05026	3.4
58.06602	5.6
59.00570	1.1
64.68269	1.1
65.03934	1.5
67.05506	48.8
68.99799	2.9
69.03422	3.1
69.07057	5.3
70.06581	2.6
71.04996	6.0
71.59222	1.2
72.08154	1.3
73.02907	1.2
79.05489	9.8
81.03417	1.9
81.07059	100.0
82.07384	1.4
83.04952	1.4
83.08619	2.8
84.04494	6.4
84.08134	1.3
85.02893	2.4
85.04839	2.1
85.06541	8.1
87.00829	20.7
91.05488	8.7
93.07047	14.5
95.04964	3.2
95.08603	7.8
96.08138	1.2
97.06507	1.5
97.10155	2.5
98.98473	2.3
105.01865	4.4
105.07040	9.9
106.06245	1.1
107.08591	15.9
109.06514	6.7
109.10146	8.5
111.08049	1.7
112.07606	1.3
119.08573	2.2
121.10146	2.2
123.04387	1.7
123.11707	61.6
124.11221	1.6
124.12048	1.5
127.05811	2.2
131.08575	1.5
133.10136	18.0
135.11685	16.5
136.93118	1.6
139.03833	1.2
141.12740	25.6
151.11186	37.6
152.14362	3.0
153.12825	1.4
154.02646	1.3
154.94160	4.3
157.10017	1.2
159.11751	2.0
159.13829	3.9
163.03841	2.0
169.12262	9.8
172.95227	13.3
177.12762	1.2
187.13277	12.6
190.96292	8.4
194.15373	4.4
227.12794	3.4
245.08095	1.6
250.11974	1.7
255.12233	3.2
268.89078	1.7
273.13330	2.6
282.75281	1.2
291.06671	5.8
291.09525	3.4
291.14783	2.1
291.19495	3.5
292.13043	13.2
309.07779	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	Altenusin
Peak:m/z	Relative Intensity
53.03932	4.1
55.01862	4.8
55.05267	2.6
55.05511	33.6
56.91361	1.5
56.96562	10.0
57.03422	4.9
57.07079	12.8
59.04969	2.1
60.35201	1.5
65.03946	8.3
65.31641	1.5
66.25845	1.6
67.05182	2.8
67.05507	41.3
69.03402	6.0
69.07070	64.2
71.04970	5.6
71.08617	5.6
71.60231	1.6
71.60612	2.3
76.47012	1.6
79.05488	23.6
81.03411	3.4
81.07059	100.0
83.04990	8.9
83.08620	24.5
84.04501	3.9
85.02843	2.3
85.04849	1.6
85.06519	7.4
85.10160	1.6
87.78686	1.5
91.05482	17.3
93.03414	9.2
93.06479	2.3
93.07049	45.0
95.04981	12.5
95.08611	85.1
97.02890	13.0
97.06558	11.2
97.10170	13.3
98.03204	1.8
98.97583	26.6
99.04398	1.9
99.08073	4.7
103.05418	1.8
105.07034	25.8
107.04945	2.5
107.08596	40.5
109.02856	5.6
109.06498	7.3
109.10157	51.4
110.03644	2.1
110.97562	6.6
111.04411	6.9
111.08079	9.9
111.11704	10.6
115.05437	4.5
116.98611	24.9
117.06979	6.0
119.08575	16.7
121.02902	3.6
121.06464	1.9
121.09324	2.0
121.10146	28.5
123.08042	6.6
123.11718	38.9
124.05180	5.3
125.05964	5.6
125.09571	4.7
125.13271	3.5
127.03888	3.5
127.11229	1.8
128.06165	8.1
128.98621	17.4
129.04269	2.1
129.07010	40.0
131.04936	2.1
131.08604	8.2
133.06454	2.2
133.10143	15.5
134.99658	15.9
135.08069	2.7
135.11696	24.4
137.05978	2.1
137.09546	4.2
137.13245	16.1
139.03865	5.7
139.05418	8.1
139.11157	7.0
141.06978	11.0
143.00104	3.2
143.08530	3.2
145.02803	3.3
145.06480	4.0
145.10132	8.9
146.99640	19.2
147.04367	7.1
147.08060	2.4
147.11700	12.3
149.02298	4.4
149.09602	3.7
149.13275	22.8
151.03915	15.3
151.07521	4.0
151.11122	2.1
151.14807	3.6
152.00095	2.2
153.00632	1.6
153.06927	2.0
153.12747	10.1
155.00104	2.3
156.05678	2.5
157.06493	37.7
157.10056	4.8
158.99625	4.5
159.07973	2.6
159.11674	6.3
161.01231	8.2
161.05949	6.8
161.09567	2.4
161.13283	11.1
163.07549	2.9
163.14847	16.6
165.00716	2.4
165.12758	3.8
167.03526	3.6
167.04892	8.1
169.06451	8.5
170.01190	2.1
170.99651	8.5
171.04321	1.9
171.08043	2.5
171.11612	2.9
173.01224	3.2
173.05971	2.8
173.13286	2.6
174.06731	4.5
175.07521	5.4
175.14796	5.5
177.00708	4.4
177.05502	8.4
177.16443	8.3
179.02257	2.6
184.05161	3.9
185.05971	16.3
187.07498	7.4
187.14798	2.1
188.08282	7.4
189.00728	13.7
189.05486	12.6
189.09119	31.7
189.12723	2.3
189.16339	7.9
191.02158	2.1
191.17934	3.8
195.04318	2.7
195.17351	1.9
199.04051	1.6
199.07542	20.7
200.04688	2.1
201.00668	6.1
202.06203	2.1
203.06993	5.6
203.17932	6.3
205.19370	2.2
207.06532	2.8
207.13745	2.7
212.02434	2.5
213.00447	1.8
213.05383	6.0
213.16289	2.0
214.06291	2.8
215.07088	10.0
217.08621	25.8
217.15784	1.7
217.19499	8.0
219.01755	4.3
219.08075	1.7
227.07002	15.9
229.08554	2.5
231.01779	5.7
231.06296	1.6
231.20970	1.8
233.15268	1.8
235.20506	3.1
245.08107	89.4
246.08279	4.1
249.02817	31.6
255.06369	2.2
255.17543	3.3
267.03915	8.0
272.04440	6.1
273.07599	15.8
273.14941	1.8
273.18436	5.9
273.22903	2.6
273.25757	18.7
291.08609	87.0
291.15915	4.2
291.19531	21.2
291.23160	8.1
291.26776	69.3
292.08969	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	291.0863
Annotation	Gerfelin
Peak:m/z	Relative Intensity
53.03943	2.6
55.01867	6.2
55.05509	13.0
56.96547	7.1
57.07057	5.2
65.03941	11.9
67.05227	1.8
67.05509	18.1
69.03427	5.6
69.07072	25.8
69.41250	13.9
71.04988	1.8
71.08598	1.9
79.05479	11.1
81.03428	4.9
81.07056	39.2
82.07406	2.2
83.04999	2.7
83.08625	9.4
85.02885	2.0
85.06555	2.4
86.94979	1.6
91.05478	13.3
93.03407	10.6
93.07042	19.5
95.04986	11.1
95.08611	41.4
97.02899	16.1
97.06535	4.6
97.10159	5.9
98.21493	3.7
98.97595	20.9
99.08112	2.2
103.05407	2.7
105.07038	10.7
107.08590	18.5
109.02876	8.8
109.06547	3.2
109.10160	22.3
110.03657	2.2
111.04447	5.4
111.08042	3.0
111.11698	2.2
115.05460	6.7
116.98623	16.5
117.06966	3.4
119.08603	9.6
121.02856	7.6
121.10152	10.7
123.04437	4.0
123.08017	3.0
123.11713	15.7
124.05198	6.6
125.05984	7.3
127.03909	2.4
127.11125	1.9
128.06209	7.7
129.06142	3.0
129.07007	34.2
131.04976	2.6
131.08549	3.8
133.10123	7.3
134.99677	8.0
135.11708	12.7
137.05989	4.3
137.13252	9.1
139.03893	6.9
139.05400	5.0
139.11188	4.2
141.07004	10.7
143.00136	2.7
143.04926	2.2
143.08530	2.2
145.02824	5.3
145.06523	4.2
145.10092	4.1
147.04398	6.5
147.08035	2.0
147.11676	7.5
149.02333	2.9
149.09572	2.3
149.13268	9.5
151.03903	18.5
151.14880	2.9
153.12785	3.3
155.04961	2.3
157.06480	39.8
157.10239	2.1
158.99715	2.8
159.11664	4.3
161.01239	8.6
161.05978	7.1
161.13255	6.6
163.07541	2.1
163.14825	4.5
167.03522	3.7
167.04922	10.8
169.06505	12.3
171.04340	2.2
172.05209	1.9
173.06047	2.4
174.06709	4.4
174.99153	2.3
175.07570	5.1
175.11055	1.7
177.00763	3.9
177.05476	9.3
177.16380	2.8
179.02368	2.4
184.05196	4.2
185.05998	19.8
186.06871	2.5
187.07542	8.3
187.14732	2.1
188.08330	8.2
189.00706	5.7
189.05457	15.3
189.09085	29.8
199.07542	24.4
201.00766	6.1
201.09090	4.0
202.06277	2.5
203.07057	6.2
203.18018	2.5
207.01764	3.0
207.06516	5.3
212.04567	4.2
213.05498	8.5
214.06230	2.5
215.07053	9.1
217.06519	3.5
217.08594	32.9
217.19525	2.5
219.01791	6.7
220.08806	1.9
227.07057	19.6
229.19279	1.7
245.06215	3.8
245.08104	91.7
246.08322	4.2
249.02771	7.2
267.03888	2.2
273.07718	17.2
273.18549	3.8
273.25742	6.4
287.05606	2.9
291.08661	100.0
291.19608	7.1
291.26797	27.4
292.08887	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	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.8
55.05505	6.4
56.96564	98.7
57.03427	9.0
57.07080	5.9
60.04522	5.8
61.02912	8.4
67.05482	11.3
68.99477	4.0
69.03424	22.2
69.07072	11.6
69.74839	18.5
69.75253	10.8
70.06590	21.9
71.04996	10.6
71.95251	6.4
72.08161	9.2
73.02921	9.2
79.05496	9.3
79.33931	4.2
81.03419	11.3
81.07043	12.7
84.04556	5.1
84.96019	15.5
85.02900	41.9
86.09710	10.1
91.05474	14.7
93.07071	12.3
95.04973	11.3
95.08609	8.5
97.02906	38.7
98.21521	6.2
98.97594	87.8
98.98497	8.0
99.04488	7.1
105.07023	6.0
107.08607	8.0
109.10164	9.2
110.97571	6.8
112.07630	9.8
116.98618	100.0
118.06863	11.2
119.01911	7.7
119.04969	14.5
119.08607	5.3
121.10186	5.8
123.04432	48.1
125.02509	4.6
126.36671	4.6
126.82323	4.9
127.03948	22.8
128.04248	8.6
128.98624	19.5
129.05481	23.9
129.06548	8.5
130.06514	49.9
130.08641	43.4
131.00273	5.0
131.01907	5.5
134.99657	76.9
135.00638	6.8
135.11688	6.3
136.06184	6.8
139.01546	5.0
143.00172	29.0
145.01672	9.1
145.04961	6.2
146.99693	29.3
147.04372	25.7
153.00734	16.2
158.01350	5.4
158.13698	6.2
158.99687	29.4
161.01248	58.8
164.98480	4.6
165.00713	13.3
165.04291	7.3
165.05495	12.0
170.99664	14.6
173.02853	7.3
177.00731	58.8
179.02299	15.3
185.01213	9.8
186.13286	5.5
189.00690	27.5
189.04318	10.3
190.98683	12.2
195.01711	10.1
200.02393	9.7
201.00763	18.3
203.02315	8.2
205.00266	7.5
205.03902	6.6
207.01729	6.6
219.01846	28.1
223.01193	7.8
227.06810	7.5
231.01657	9.1
231.05342	5.6
237.02795	46.9
245.05984	8.6
249.02785	20.2
249.05167	8.2
255.04030	5.5
267.00290	6.1
267.03912	10.9
271.04709	27.4
291.03885	9.7
291.08353	71.5
291.13242	6.9
291.16251	6.1
291.19513	17.6
291.22980	8.8
291.60507	6.7
309.04898	18.5
309.08594	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.3
55.05510	4.3
56.96569	84.0
57.03442	3.3
59.70688	2.4
61.02922	7.6
61.32670	2.3
62.05970	2.5
63.47730	2.6
63.91678	2.6
64.02389	2.4
66.89359	2.8
67.05495	5.6
69.03432	23.9
69.07061	3.4
70.06586	9.5
70.94241	2.6
71.04991	4.0
71.59769	3.6
72.08132	4.6
72.93787	4.5
73.02893	4.9
74.97585	4.0
79.05508	5.7
81.03423	5.9
81.07032	3.6
83.04974	6.4
84.04513	3.3
84.08146	4.5
84.96028	9.3
85.02897	27.0
86.05470	2.4
86.09690	4.7
87.04477	3.9
87.10049	4.7
90.94865	4.4
91.05494	17.1
93.07045	5.7
95.04974	7.4
95.08584	2.7
97.02896	65.6
98.97594	54.3
98.98322	4.0
99.04434	3.7
102.05525	3.2
104.96387	5.1
107.04932	7.8
107.08581	4.5
108.95872	5.1
109.02840	3.2
110.97572	3.8
111.04453	9.1
111.08121	2.3
116.98618	44.9
117.01896	2.6
117.07011	2.8
119.01886	6.0
119.04972	15.4
119.08536	3.1
121.01622	4.6
122.97433	4.2
123.04426	10.2
123.11765	3.0
124.99133	7.5
127.03929	15.8
128.04250	4.1
128.98611	11.8
129.04517	6.2
129.05492	100.0
130.06526	17.8
130.08643	11.4
132.95818	2.9
133.01775	2.6
133.03563	2.7
134.99661	45.6
139.03960	2.6
143.00175	21.7
144.13821	4.0
145.01759	5.6
146.99661	17.9
147.04359	22.6
149.01193	6.9
149.13348	2.6
150.96883	5.7
153.00743	6.5
158.01414	3.6
158.99695	12.8
161.01222	44.3
162.99164	6.8
163.49196	2.5
164.98509	3.6
165.00725	7.9
166.30064	3.3
170.99652	8.6
173.03061	3.6
174.99120	4.3
177.00720	21.8
177.04178	2.8
177.45805	3.0
179.02258	10.3
184.02754	3.3
185.01233	8.3
187.02818	5.9
189.00725	29.6
189.02359	6.3
189.04321	7.9
190.98662	7.4
191.02296	4.8
193.00230	11.6
195.01787	5.2
201.00562	5.4
203.02301	10.3
205.00243	6.2
205.03773	3.7
206.95898	8.7
207.01744	10.6
207.03581	2.9
208.99469	5.0
210.06572	3.1
213.00801	8.5
213.09154	8.3
219.01750	9.1
221.03304	3.7
223.01324	10.7
230.95932	5.4
231.01808	12.3
237.02811	20.3
247.01337	3.9
248.96838	8.7
248.99197	4.4
249.02707	16.1
267.00314	7.3
267.03998	12.1
268.04617	2.6
271.04657	7.7
273.02832	3.0
273.18411	3.5
285.04935	7.4
291.04074	16.0
291.08496	34.7
291.19400	8.5
291.23001	6.4
309.04926	21.7
309.08517	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	290.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48880	0.3
56.05042	0.6
57.06831	0.4
57.07079	5.8
58.06589	1.2
69.53055	3.3
70.06592	13.2
71.08621	1.5
85.10171	1.0
88.07633	20.7
102.09182	11.8
121.59520	0.4
132.10190	0.4
146.11758	0.6
166.81841	0.4
184.20619	1.3
192.35757	0.4
199.21437	0.4
228.23233	42.4
229.23521	1.0
272.25851	2.9
290.26895	100.0
291.27258	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.5
55.05507	5.7
56.96565	25.6
57.03456	1.8
57.07065	1.1
61.56467	1.0
65.03953	3.4
67.05498	5.6
68.20560	1.3
69.03439	2.6
69.07076	9.0
71.04996	4.5
71.59135	2.1
79.05488	5.6
81.03397	2.7
81.07058	11.9
83.04987	2.3
83.08622	3.5
84.04502	2.5
84.96047	5.4
85.02898	1.7
85.06563	1.5
91.05492	6.0
93.03403	3.4
93.07037	8.4
94.73129	1.2
95.04973	6.4
95.08608	11.6
97.02908	3.0
97.06538	3.5
97.10179	1.3
98.97586	88.8
99.04475	7.2
105.07023	7.0
107.04953	2.1
107.08608	7.3
109.02873	3.7
109.06517	5.5
109.10159	7.5
110.03714	1.4
110.97575	31.0
111.04437	1.5
111.08079	1.9
112.99146	1.9
114.94286	1.3
115.05492	1.5
116.98621	66.4
117.07024	3.4
119.08586	6.9
121.02854	1.4
121.06502	2.1
121.10146	7.0
123.08131	2.1
123.11710	3.9
124.05230	1.9
125.05983	1.8
125.09645	2.1
127.03933	1.9
128.06235	2.5
128.98613	69.5
129.06985	9.3
131.00192	2.6
131.08571	3.4
133.10150	4.8
134.99658	39.0
135.08038	3.5
135.11697	3.3
137.05956	2.0
137.09628	3.6
139.03828	2.1
140.00214	4.8
140.98582	2.9
141.06995	3.0
143.00131	10.4
143.08566	2.3
144.10742	1.3
145.10143	4.7
146.99654	62.6
147.04405	2.0
147.08063	2.1
147.11649	2.1
149.01247	2.4
149.09668	3.4
149.13277	1.7
151.03943	4.3
152.00212	4.7
153.00725	4.3
155.00168	4.8
157.06517	11.5
157.10110	1.9
158.01274	3.5
158.99698	6.7
159.08063	3.5
159.11755	1.7
161.01241	20.9
161.05988	2.0
162.99207	2.2
163.03934	3.0
163.11209	4.6
163.14886	1.5
165.00705	7.2
167.03484	1.4
167.04901	1.6
169.06496	2.9
170.01280	5.4
170.99655	31.5
171.11751	2.3
173.01228	10.5
173.13255	2.5
175.11230	2.4
177.00728	8.7
177.05499	2.4
179.02242	7.1
182.99644	3.0
184.02867	2.2
185.06023	4.1
187.07626	2.4
188.08347	1.7
189.00722	44.7
189.05434	3.0
189.09111	8.2
189.12740	1.7
191.02280	4.4
191.14342	1.6
195.04410	1.3
199.07510	6.4
199.14874	1.9
201.00731	15.9
207.01762	6.4
212.02348	5.3
213.00737	2.8
213.05412	1.7
215.06979	2.1
217.08635	7.9
219.01842	3.3
227.07040	4.1
231.01744	21.3
245.08107	27.5
249.02835	100.0
263.19748	1.6
267.03891	19.9
272.04337	14.6
273.07535	4.6
273.18515	7.4
273.21939	1.6
273.25909	2.1
276.07846	1.6
291.03818	1.6
291.08600	26.9
291.16031	3.1
291.19574	12.7
291.26816	5.4
295.69580	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.04788	0.6
56.05038	10.1
56.96579	0.5
57.07078	6.3
58.06600	5.8
60.04514	1.8
60.18515	0.4
61.08338	0.4
63.83574	0.4
66.15675	0.5
68.05014	0.8
69.07072	0.7
70.50697	1.6
71.08637	2.8
72.18474	0.4
74.06081	8.6
85.10165	0.8
86.06071	0.9
88.07634	33.6
89.63718	0.5
104.07085	1.0
118.08652	6.2
118.45493	0.4
122.07309	0.5
122.08150	4.6
169.13281	0.4
210.22160	0.5
242.24800	40.0
269.91489	0.5
272.25839	2.0
290.26901	100.0
291.27167	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1751
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05510	1.1
56.05035	2.7
56.96569	2.6
57.07070	1.8
58.06595	1.1
59.48467	0.4
65.03938	1.8
67.05505	9.3
69.07077	3.4
69.67858	1.1
69.68265	2.3
71.08606	0.5
74.06079	2.3
79.05493	2.3
81.07076	2.5
81.07477	0.5
82.06592	3.0
83.04980	1.2
83.08624	0.9
85.10220	0.4
86.06100	0.5
88.07633	8.1
91.05461	0.7
93.03412	1.5
93.07046	3.9
95.08606	1.1
97.06528	1.7
98.20822	0.6
105.07071	0.6
107.08600	3.5
109.10153	1.1
110.06045	34.5
111.04447	10.4
118.08641	1.4
119.08562	1.0
121.10129	0.5
122.08138	1.3
123.04435	1.7
127.03962	0.5
133.10120	0.6
134.94037	0.4
135.11699	3.4
137.05943	1.2
138.05504	100.0
139.05850	1.1
145.06522	0.5
163.07576	0.8
168.13872	0.6
175.02803	2.2
175.07419	0.5
193.03831	1.5
197.13054	0.6
198.04456	0.9
226.11150	4.6
228.23236	0.7
230.16190	0.7
242.24788	9.0
244.12206	3.6
267.09229	0.5
267.13879	0.6
290.08887	1.4
290.17648	5.2
290.26892	26.0
290.29391	1.2
303.78995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.7
56.96559	4.5
57.07090	1.7
58.99573	5.7
59.04996	6.4
60.04522	2.3
62.39759	1.2
67.05493	5.9
69.03426	2.0
69.07060	5.4
69.33250	1.6
69.93247	8.5
70.06570	2.0
71.05007	7.8
72.08138	2.4
73.01150	7.7
76.02253	7.8
79.05492	4.9
81.07050	9.7
83.04970	3.7
83.08605	6.4
84.04505	6.0
84.08146	2.4
85.02899	2.7
86.06051	1.9
86.09723	3.7
86.99059	3.8
87.04469	17.7
88.02230	2.4
88.04004	3.0
91.02181	10.4
91.03992	1.5
91.05476	7.4
93.07061	10.0
95.04971	11.1
95.08603	5.9
97.02902	2.8
98.06028	1.9
99.02654	2.0
100.02180	2.2
101.00594	5.6
102.05544	3.7
105.00087	7.2
105.07041	7.3
107.04948	3.3
107.08591	5.5
109.06520	45.3
109.10150	11.1
111.04443	2.2
111.08080	9.6
114.05584	1.3
119.01645	100.0
119.08559	1.6
120.01151	2.0
120.06552	1.4
121.10123	2.0
122.01825	2.9
122.02729	50.8
123.08023	2.2
123.11696	5.1
126.03702	1.7
127.03923	11.4
128.04243	8.3
130.06522	1.6
131.08504	2.5
133.10152	9.8
139.17096	1.5
143.00220	2.7
145.03159	5.1
147.04419	4.0
151.11186	53.1
161.01231	6.8
163.03941	2.6
165.07430	3.4
167.08057	1.5
169.12270	6.4
172.04327	4.3
173.02681	2.6
173.12979	1.4
183.08389	6.9
190.05301	8.2
191.03755	14.6
198.05940	1.9
201.00644	2.1
202.98630	1.4
208.06392	50.3
213.05176	1.5
232.49828	1.6
249.02911	3.1
254.12146	11.1
267.03906	5.0
272.13232	8.6
285.04752	2.9
290.08600	2.0
290.14233	9.0
291.14581	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03458	3.0
55.01865	2.0
56.05017	1.9
56.96566	8.1
57.60411	0.8
58.02957	5.8
58.06604	11.1
59.07381	5.7
60.04514	1.0
60.07877	1.6
60.08162	26.0
68.05032	7.1
69.00899	2.2
70.06583	3.3
70.67985	2.2
72.08149	14.0
72.28895	0.8
73.02911	2.3
74.00662	33.5
74.06087	2.7
82.02945	4.4
84.04502	3.3
84.08135	3.3
84.28175	0.8
84.96008	1.4
85.02885	4.6
86.04138	0.9
86.06072	9.6
86.09212	1.3
86.09702	16.2
87.04458	4.0
88.02213	3.7
91.03310	12.7
96.86684	0.9
97.02895	1.0
98.02422	6.3
98.97581	13.3
101.07124	1.9
102.05535	2.9
104.96757	1.0
105.00014	0.9
111.05524	1.5
112.03957	2.5
113.02367	20.4
114.05554	7.6
116.98613	10.5
117.01206	16.6
119.01868	1.7
120.01954	1.0
120.06493	1.3
126.01881	2.5
129.10231	1.9
130.05005	7.6
130.08640	3.6
134.99670	6.2
139.05017	7.1
141.07822	2.1
143.00153	1.5
143.02690	1.6
143.11816	7.4
144.06599	1.1
144.10260	1.5
145.00650	6.8
148.05986	1.0
153.00723	1.1
155.02748	7.2
156.10229	2.3
156.97534	1.0
157.13321	1.8
158.04494	7.4
159.02216	9.2
159.05878	15.0
159.78592	1.1
161.01128	1.6
171.02164	1.4
171.11296	4.2
173.12842	6.5
175.05455	1.6
177.08774	1.2
184.05376	1.7
185.12840	2.2
187.05385	13.4
189.04390	1.3
191.10429	1.0
199.01752	1.9
201.12346	2.3
203.04877	4.1
206.07004	1.1
213.03320	2.6
214.12070	1.1
224.07938	2.2
230.07001	4.2
231.04346	24.7
246.12700	10.5
248.08067	14.0
249.03636	1.1
258.09100	10.8
267.00455	1.3
272.16031	2.5
290.11676	100.0
300.36072	0.9
309.08542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
53.29552	0.6
55.05511	0.7
56.05035	2.1
57.03436	3.5
61.02917	3.7
68.99780	3.6
69.03419	1.5
69.44508	4.6
69.44914	1.3
70.06571	0.8
73.02910	2.4
80.05042	0.9
81.03423	2.6
84.04501	100.0
85.02904	16.6
85.04839	0.9
87.00826	5.7
96.04492	2.2
97.02893	3.2
98.06050	3.3
99.04442	1.0
99.26846	0.6
103.03941	17.4
105.01855	2.7
108.04488	2.1
109.02884	3.2
110.06055	0.9
126.05513	26.5
127.03930	4.0
128.04260	0.8
129.01813	7.0
144.06624	0.7
147.02901	4.1
156.06519	1.2
168.06543	8.3
171.02901	1.4
186.07619	2.9
189.03918	6.5
204.08698	3.5
204.10501	0.7
212.05547	1.0
213.04025	0.9
228.08635	0.9
272.07651	4.6
290.08698	26.5
291.08969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05499	2.1
56.05035	35.3
57.03426	3.1
60.04514	1.6
61.02924	3.2
65.05286	0.6
67.05508	1.7
67.12714	0.5
68.99783	3.5
69.03404	1.8
69.07056	1.7
70.06561	1.1
71.04993	1.0
71.57146	1.1
73.02903	2.0
74.06081	3.4
79.05483	1.9
80.05009	0.9
81.03432	3.9
81.07064	7.7
84.04504	100.0
85.02903	15.0
85.04821	0.8
87.00838	7.1
87.04495	0.6
91.05492	0.8
93.07050	1.5
95.08608	3.8
96.04515	1.7
97.02892	4.7
97.05302	0.8
97.06577	0.7
98.06039	4.9
98.98474	0.7
99.04476	1.6
100.04023	0.6
102.05572	0.6
103.03944	16.3
103.04639	0.9
105.01840	3.2
105.07020	1.7
107.08601	1.6
108.04489	3.5
109.02898	3.6
109.10136	0.7
110.06058	1.2
113.68862	0.6
119.08568	0.7
123.11741	1.7
125.07170	0.7
126.05515	27.1
127.03931	5.3
128.04271	2.4
129.01848	6.4
131.08588	0.8
133.10159	1.5
135.11668	1.3
137.13271	1.4
141.12723	0.7
144.06569	2.0
145.05084	0.7
147.02884	3.5
150.05513	0.7
150.12759	0.8
151.11218	1.2
154.02637	26.5
154.94167	1.4
156.06573	1.7
163.03896	1.0
168.06544	11.0
169.05009	0.8
171.02950	1.0
172.95261	3.8
186.07567	3.4
189.03938	7.1
190.12750	0.6
190.96234	3.4
192.13889	1.0
204.08725	1.7
213.04080	0.7
228.08719	1.2
245.00851	0.8
266.14755	0.7
272.02048	0.6
272.07587	5.1
290.03232	1.4
290.06250	2.9
290.08844	25.1
290.12030	1.5
290.14981	2.8
291.03632	0.8
291.06735	2.6
291.09521	0.9
309.08014	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15987	0.4
53.03942	0.9
53.48215	0.5
55.05516	0.7
56.05040	2.5
57.03433	3.4
60.04519	0.8
61.02924	3.5
67.05495	0.7
68.99792	3.7
69.03426	1.7
70.06596	1.1
70.20821	1.5
71.04987	0.6
72.04505	0.6
73.02919	2.4
75.04446	0.6
76.08846	0.5
79.05495	0.7
81.03404	2.5
81.07061	1.6
84.04504	100.0
85.02901	14.5
85.04833	1.0
87.00829	6.1
88.07630	1.5
91.05482	0.6
93.07056	1.2
95.08608	1.5
96.04501	2.0
97.02925	1.2
98.06049	1.5
99.04463	1.0
102.09200	0.8
103.03944	17.8
105.01852	2.2
105.06996	0.7
106.05404	0.5
107.08621	0.6
109.02874	1.9
109.06535	0.8
109.10139	1.0
110.06048	1.5
110.10482	0.6
118.69189	0.4
119.08553	0.7
121.10169	0.6
122.10485	0.7
126.05518	15.8
127.03911	2.6
128.04266	1.0
129.01842	6.4
133.10124	0.6
135.11653	0.8
146.62021	0.5
147.02870	3.8
150.05482	1.0
150.07098	0.5
156.06514	1.0
156.08916	0.7
168.05313	0.5
168.06522	2.5
171.02931	1.3
181.47531	0.5
186.07623	2.3
189.03928	6.4
192.18227	0.7
201.04008	0.5
203.27696	0.5
204.08656	2.5
212.15161	1.0
228.08569	0.7
228.23256	2.2
230.16129	0.7
231.13698	0.6
272.07611	4.9
272.17133	0.5
290.08698	20.6
290.18228	0.9
290.22119	0.5
290.27081	5.5
291.08835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05511	1.3
56.05027	2.7
57.03434	2.9
60.04518	1.4
61.02930	3.0
62.90999	0.6
65.03946	0.5
67.05499	0.8
68.99781	3.7
69.03421	2.1
70.15315	0.5
70.76552	1.2
70.76887	0.6
71.04993	0.7
72.04498	1.2
73.02911	2.7
76.88471	0.5
80.05016	0.9
81.03415	3.1
81.07070	1.3
83.04980	1.0
84.04503	100.0
85.02902	16.9
85.04848	1.4
87.00823	6.8
91.05504	0.7
93.07050	1.0
96.04488	1.9
97.02897	3.7
98.06052	3.4
99.04465	1.5
103.03940	17.1
105.01869	3.2
105.07034	0.8
107.05009	0.7
107.08553	0.8
108.04491	2.2
109.02890	3.3
110.06074	1.1
110.10517	0.7
111.04424	0.7
120.01092	0.5
126.05512	25.6
127.03927	4.0
128.04243	1.0
129.01848	6.1
140.04280	0.7
144.06599	1.4
147.02870	3.9
147.08109	0.6
150.05609	0.8
156.06538	1.7
157.06435	0.6
163.03897	0.7
166.51645	0.5
168.06555	9.2
171.02953	1.5
176.14325	1.9
185.04584	0.6
186.04825	1.0
186.07654	2.8
189.03944	7.0
189.09027	0.9
201.29468	0.6
204.08684	3.2
212.05496	1.0
228.08598	1.2
230.06628	0.6
234.50017	0.6
245.08194	1.6
246.09520	0.7
272.04834	1.1
272.07565	4.5
290.05850	1.0
290.08667	26.4
290.18130	1.2
290.21341	4.2
290.24774	0.5
291.08820	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	290.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	1.0
55.01875	0.7
55.05507	1.2
56.05030	2.5
56.96572	0.7
57.03434	2.3
60.04530	1.3
61.02927	3.8
68.99789	3.0
69.03427	1.9
69.72362	3.9
70.06590	2.2
72.04496	1.0
73.02908	3.1
79.05510	1.0
81.03416	3.0
84.04507	100.0
85.02907	14.1
85.04827	1.2
87.00826	6.2
96.04499	1.9
97.02925	3.3
98.06048	3.8
98.97536	1.0
99.04456	1.7
103.03948	15.6
103.04630	0.9
105.01869	2.5
108.04451	2.3
108.08996	0.7
109.02903	4.1
110.06017	1.3
116.23249	0.7
117.03400	0.7
126.05512	27.8
127.03889	4.6
128.04272	3.3
129.01828	6.6
140.07040	1.2
144.06563	1.2
146.64018	0.7
147.02835	3.5
150.05502	0.7
156.06543	0.9
163.03903	3.2
168.06584	9.5
171.02957	1.4
172.21950	0.7
186.07640	2.3
189.03911	5.5
204.08681	3.1
212.05591	1.1
228.08669	1.0
253.18759	0.7
272.07657	4.1
290.05643	1.5
290.08713	26.1
291.09146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.05496	0.7
56.05033	2.3
57.03438	2.9
57.07074	0.7
60.04534	1.0
61.02926	3.1
61.36984	0.6
68.99792	3.1
69.03413	1.7
70.06581	2.3
71.04975	0.7
71.59676	0.8
72.04534	0.6
73.02916	2.5
75.04478	0.6
80.05048	0.5
81.03413	3.3
81.07024	0.6
83.04990	0.8
84.04503	100.0
85.02907	16.1
85.04837	0.7
87.00831	5.9
88.07621	1.3
96.04493	2.1
97.02901	2.6
98.06063	2.9
99.04463	1.0
103.03944	14.4
105.01889	2.6
105.03413	0.8
108.04487	2.3
109.02882	3.6
110.06039	0.9
114.09241	0.7
123.00768	1.5
126.05517	23.9
127.03897	3.0
127.05859	0.6
129.01860	5.8
132.10211	1.6
144.06551	1.0
147.02832	3.0
150.05478	0.6
150.11244	1.6
156.06606	1.3
168.06564	10.3
169.01300	1.2
171.02846	1.3
186.07672	3.0
189.03947	5.0
204.08662	3.0
212.05476	0.8
228.08679	1.2
272.07635	4.7
290.05710	1.4
290.08682	23.4
290.21780	1.1
290.26868	8.9
291.09073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01855	0.5
55.05504	1.1
56.05041	2.9
57.03439	3.1
60.04518	2.1
60.69672	0.4
61.02927	3.8
67.05500	0.9
68.05006	0.5
68.99795	3.0
69.03432	1.8
69.58516	1.3
69.58937	2.5
70.06589	1.5
71.04988	0.8
72.04523	0.8
73.02921	2.6
74.06079	0.7
75.52472	0.5
77.02928	0.4
80.05016	1.4
81.03412	3.5
81.07027	0.5
84.04507	100.0
85.02906	16.1
85.04797	0.8
86.09705	1.0
87.00837	6.4
91.05477	1.2
96.04494	1.9
96.63945	0.5
97.02886	4.4
98.06059	4.5
99.04456	1.5
102.05585	0.5
103.03946	18.8
105.01875	2.4
105.07030	0.7
108.04500	2.7
109.02883	4.0
110.06049	1.8
112.72095	0.4
114.05588	0.6
120.06478	0.5
122.06034	0.5
126.05519	29.6
127.03924	10.1
128.04250	5.7
129.01840	5.1
130.06535	0.7
144.06557	1.0
145.04942	0.8
147.02924	4.6
150.05492	0.8
153.71613	0.5
156.06589	1.9
168.06573	12.3
169.04953	1.0
171.02899	1.6
186.07629	2.8
189.03963	6.4
204.08717	2.7
212.05548	1.3
213.03957	0.5
228.08638	1.5
246.09654	0.7
257.17752	0.5
272.07632	4.5
272.14862	0.6
290.08691	26.9
291.09085	0.7
297.34982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01868	0.8
55.05505	1.2
56.05037	2.7
57.03439	3.3
59.32153	0.4
60.04523	1.3
61.02927	3.4
68.99785	3.6
69.03428	2.5
70.06593	0.9
72.04518	1.0
73.02914	2.1
75.66913	0.4
79.09249	0.5
80.05013	0.5
81.03411	3.1
84.04504	100.0
85.02907	16.4
85.03418	0.8
85.04836	1.4
87.00819	5.3
95.04944	0.7
95.08613	0.6
96.04511	1.6
97.02886	3.8
98.06054	4.4
99.04423	1.1
100.03986	0.8
103.03942	17.5
105.01884	2.8
105.07030	0.7
107.08600	0.8
108.04496	1.4
109.02896	3.3
110.06047	1.0
126.05514	26.9
127.03913	4.4
128.04224	0.9
129.01833	5.1
144.06532	1.5
145.05009	1.0
147.02893	3.7
150.05478	0.6
155.79921	0.5
156.06569	1.4
168.03665	0.5
168.06580	9.3
171.02917	1.5
176.14395	1.3
182.78334	0.5
186.04854	0.9
186.07590	3.0
186.79439	0.5
189.03940	6.5
204.08649	3.0
212.05591	0.6
228.08673	0.8
230.06543	0.8
245.08081	0.7
246.09743	0.6
272.07617	3.8
290.05817	1.4
290.08707	24.4
290.21216	2.2
290.26642	0.4
291.08792	1.2
306.55133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03936	7.3
55.05510	12.3
67.05491	22.6
69.07054	24.8
69.46348	50.0
79.05489	15.6
81.07059	82.2
83.08647	9.1
85.02952	5.7
87.49209	4.8
88.40105	5.7
91.05459	9.6
93.07027	31.2
95.08611	100.0
96.04604	4.8
97.06534	13.0
97.10154	9.3
98.21526	11.9
105.07025	32.7
107.08606	46.8
109.10159	48.0
119.08582	38.0
121.10135	33.3
123.11685	28.4
127.03913	45.2
131.08527	7.3
133.10124	20.7
135.11699	17.1
137.13271	16.4
142.46748	5.3
145.10150	16.5
147.11668	19.7
149.13255	20.6
159.11702	14.3
161.13261	10.0
163.14822	30.2
173.13258	9.3
175.14796	21.1
187.14857	9.2
189.16370	12.0
191.17921	7.2
201.16325	15.6
215.17975	15.7
245.22646	44.4
247.21680	16.1
271.24228	81.8
289.18137	6.4
289.22461	33.8
289.25317	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05517	13.4
56.96532	1.1
57.03435	1.5
57.06229	1.4
57.07080	5.7
59.05003	1.2
59.46041	1.1
63.50791	1.3
67.05511	19.0
68.42766	1.0
69.03421	2.0
69.07067	19.0
70.05153	1.3
71.04968	1.2
71.08606	1.8
71.60717	2.0
75.96811	1.4
79.05511	7.3
79.41304	1.5
81.07059	30.8
83.04961	4.0
83.08620	10.0
85.02912	2.2
85.06546	2.3
91.05480	6.2
93.07039	17.0
95.04955	2.2
95.08612	57.4
96.08942	1.5
97.06532	2.4
97.10184	6.5
99.08090	1.9
105.07040	15.3
107.08596	24.8
109.06516	2.3
109.10158	49.0
111.04390	1.6
111.08044	4.1
111.11710	2.8
113.09629	1.6
117.07006	3.2
119.08589	31.0
121.06498	1.2
121.10155	28.3
123.08054	3.3
123.11711	14.0
125.09679	1.6
127.03921	37.2
129.06973	1.4
131.08549	4.5
133.10135	31.0
135.08022	3.2
135.11713	15.1
137.09618	17.3
137.13283	7.1
143.08612	1.9
145.10135	12.4
147.11687	15.1
149.09601	3.6
149.13264	10.2
151.11116	1.5
151.14793	2.2
157.10185	2.0
159.11707	16.9
161.13269	12.5
163.11127	2.8
163.14833	10.3
173.13280	13.2
175.02824	2.1
175.14801	13.5
177.16432	7.2
179.14198	2.4
180.87358	1.3
187.14871	12.2
189.16423	6.8
191.17899	5.8
193.03732	1.2
193.15887	1.3
197.13315	1.3
201.16370	15.0
203.17949	3.8
205.15845	3.0
205.19638	1.3
207.17412	2.5
215.17976	9.1
217.19524	2.8
219.17395	4.4
229.19507	3.6
231.21039	2.1
233.18785	2.2
243.08023	2.0
243.21103	2.3
245.22681	1.9
261.25769	3.9
271.16803	1.6
271.24234	37.2
272.24100	1.3
289.08746	9.0
289.18121	3.8
289.21658	13.3
289.25232	100.0
290.25626	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05503	12.3
57.07071	5.1
58.02723	3.4
67.05495	18.2
69.07075	18.5
70.85422	3.4
70.86833	7.5
70.87227	9.0
79.05496	8.5
81.07063	48.5
83.08614	13.7
85.02892	5.2
85.06546	5.4
91.05463	5.9
93.07043	24.8
95.08603	81.9
97.06542	7.7
97.10190	6.6
105.07023	24.6
107.08590	40.8
109.10157	54.4
119.08585	22.4
121.10146	35.2
123.11726	23.3
127.03922	100.0
131.08553	7.3
132.38629	4.2
133.10110	19.7
135.11659	19.1
137.13237	14.0
145.10110	5.2
147.11687	16.0
149.09628	4.6
149.13301	20.2
159.11679	10.4
161.13257	17.2
163.14780	20.3
173.13174	8.4
175.14864	24.2
175.16254	3.7
177.16370	4.5
179.14304	5.7
187.14822	12.7
189.16373	8.0
191.17940	11.6
193.15800	4.8
201.16338	6.7
205.15852	5.7
215.17877	9.1
219.17564	4.7
229.19307	5.5
243.21095	9.1
245.22639	18.6
271.21313	4.8
271.24222	73.2
272.24551	4.8
289.05896	4.6
289.08621	15.0
289.22388	10.5
289.25293	67.7
290.25165	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05514	9.4
57.07059	2.3
59.04992	6.2
67.05504	11.0
69.03429	2.8
69.07070	18.7
71.04994	2.0
71.59514	1.9
79.05499	7.6
81.07059	31.6
83.08609	7.2
85.02894	4.1
85.06548	11.9
88.07607	1.7
91.05482	4.4
93.07034	14.8
95.04956	1.4
95.08610	32.9
97.06513	5.8
97.10159	2.6
99.08098	4.9
105.07027	10.3
107.07963	2.2
107.08605	25.9
109.10158	26.6
111.08082	3.1
117.07024	2.6
119.08578	18.8
121.10136	20.3
123.11707	15.1
125.09624	5.2
127.03929	62.0
127.77654	1.6
128.04219	2.2
131.08539	5.6
133.10091	9.0
135.11678	11.3
137.13234	4.6
143.08644	1.7
145.10124	9.4
147.11702	10.6
149.09561	1.6
149.13275	14.0
151.11134	3.4
157.10132	5.8
159.11714	12.9
161.13222	10.3
163.14824	32.5
169.10104	2.5
173.13245	10.6
175.14836	13.4
177.12686	1.7
177.16409	4.4
183.11653	4.3
187.14830	5.1
189.16426	9.2
191.17957	12.0
197.13300	2.2
201.16374	6.2
215.17932	8.3
217.19464	2.8
219.17458	2.1
229.19476	4.3
233.19005	2.0
239.18114	1.8
243.21048	3.3
245.22694	10.4
257.19009	2.8
265.26862	1.7
271.21039	3.0
271.24210	21.7
289.08575	5.4
289.18463	2.3
289.21701	13.9
289.25238	100.0
290.25516	2.0
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	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05512	12.0
57.07073	4.7
59.05006	1.8
67.05507	17.3
69.07072	17.4
71.20476	2.7
71.20803	2.0
79.05485	8.9
81.07059	35.9
83.08622	10.6
85.02866	1.7
85.06527	2.6
91.05466	7.2
93.07044	18.7
95.04966	2.6
95.08615	42.1
97.06522	9.8
97.10153	7.2
105.07033	18.4
107.08598	33.5
109.09451	3.1
109.10157	38.5
111.08092	1.6
117.07013	2.5
119.08579	22.6
121.10155	26.3
123.08084	1.6
123.11706	20.1
125.09685	1.8
127.03922	29.9
131.08559	7.1
133.10144	18.5
135.11697	19.1
137.09665	1.9
137.13235	6.8
143.08527	2.2
145.10135	11.6
147.11690	12.9
149.13268	17.8
151.11119	1.6
151.14783	1.9
155.08484	1.6
157.10139	2.5
159.11746	14.1
161.13269	10.9
163.14821	24.3
165.98453	1.6
167.10614	1.9
171.11731	2.3
173.13277	13.8
175.14825	20.3
177.09184	2.0
177.16418	4.7
185.13281	2.1
187.11194	1.9
187.14871	9.1
189.16393	11.0
191.17937	5.3
201.16374	12.8
203.17934	4.9
205.12175	2.4
207.13823	1.6
215.17941	14.3
219.13808	4.1
229.19550	8.1
233.15442	3.1
243.21037	4.5
245.22662	39.1
264.80411	1.7
271.20874	5.0
271.24207	100.0
272.24521	4.7
289.18219	3.2
289.21625	26.2
289.25232	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.01881	1.9
55.05514	17.7
56.96563	1.6
57.07076	5.0
58.99706	1.4
67.05505	19.3
69.03437	2.5
69.07072	26.1
70.96709	3.7
71.04980	2.4
75.51357	1.6
76.88750	1.6
79.05492	13.7
79.64373	1.4
81.07059	57.8
81.55242	1.7
83.05007	1.6
83.08622	14.5
85.02915	1.6
85.06554	1.9
91.05484	11.0
93.07049	24.1
95.04989	1.8
95.08609	57.6
96.09003	1.7
97.06532	10.9
97.10175	5.3
97.54127	1.3
99.08088	2.1
101.04763	1.5
105.07035	24.7
105.07684	2.6
107.08597	48.4
109.06514	5.5
109.10161	53.8
111.04422	2.8
111.08080	3.3
111.11720	2.9
117.07027	4.4
119.08584	32.1
119.15662	1.4
121.10149	41.8
123.08049	2.0
123.11712	33.8
125.06040	2.1
125.09641	4.9
127.03922	30.0
131.08595	10.5
133.10130	26.8
133.21875	1.5
135.11713	25.4
137.09569	2.6
137.13242	9.4
142.07796	1.6
143.08620	3.8
145.10104	21.2
145.11124	1.9
147.11670	17.1
149.13260	20.1
151.11185	5.9
157.10184	4.7
159.11707	19.2
161.13231	15.5
163.14809	35.9
163.16093	2.7
165.09174	1.7
167.10789	2.6
171.11743	3.2
173.13283	18.6
175.02921	1.7
175.14810	23.1
177.16417	6.7
181.15991	1.6
187.14885	13.1
189.16360	16.2
191.17943	9.3
193.12317	1.7
201.12729	3.2
201.16379	11.6
202.84970	1.4
203.17975	4.9
205.12358	1.8
205.15895	1.7
215.14337	1.8
215.17964	13.1
219.13861	6.0
219.17487	2.0
229.19473	11.2
233.15379	2.6
233.19044	2.2
243.21158	6.2
245.22668	42.7
271.20847	6.1
271.24203	100.0
272.24496	3.6
287.78180	1.5
289.08710	2.5
289.18298	3.4
289.21661	30.2
289.25278	81.6
290.22162	2.2
290.25610	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.01089	2.9
53.03951	4.4
54.52037	3.4
55.05519	21.6
56.96555	11.3
57.07071	4.3
59.04996	5.1
60.07163	2.7
67.05515	22.8
69.03424	3.4
69.07072	60.0
70.86446	5.9
70.86809	6.0
71.04993	5.4
79.05499	26.3
81.03416	3.3
81.07063	85.9
83.04984	14.0
83.08618	11.2
85.02859	7.5
85.06542	7.4
88.07613	2.9
91.05492	23.4
93.07040	39.8
95.04940	5.8
95.08624	39.5
97.02891	4.4
97.06551	4.9
97.10166	7.4
105.07031	28.9
107.08601	51.2
109.06541	7.2
109.10157	40.4
111.08113	3.6
111.11736	14.9
117.07127	3.8
119.08607	34.1
121.10139	28.8
123.08118	3.3
123.11730	15.0
126.53334	3.3
127.02967	4.8
127.03925	100.0
131.08583	7.6
133.10147	27.0
135.08138	7.7
135.11697	51.8
137.09612	4.4
137.13226	5.5
139.11229	5.9
145.10107	10.4
147.11725	18.4
149.13251	19.4
151.11108	3.4
157.10135	6.6
159.11713	13.6
161.13283	13.9
163.14818	13.9
167.14384	3.7
171.11743	4.8
173.13243	10.7
175.02910	7.3
175.14833	10.6
177.16365	5.3
187.14819	7.4
189.16357	11.2
191.17957	4.0
201.16325	5.3
215.08607	7.0
215.17935	5.6
229.19487	3.7
233.09698	4.8
243.08049	18.4
243.21107	6.6
247.61627	3.6
256.61987	3.6
271.07605	8.4
271.17041	4.3
271.20813	4.1
271.24203	17.7
289.08627	75.4
289.17996	11.5
289.21631	25.2
289.25272	65.8
289.29257	13.2
290.09033	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	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
51.21490	1.1
54.25181	1.0
55.05509	5.5
67.05489	4.0
69.07070	11.0
69.80081	3.8
69.80492	3.1
79.05470	4.2
81.07062	18.0
83.08609	3.9
85.06522	1.8
91.05470	2.0
93.07053	6.2
95.08062	1.1
95.08611	15.3
97.10167	2.0
98.21439	2.2
99.08061	1.7
105.07009	5.2
107.08600	15.2
109.10165	13.4
109.10857	2.1
111.08124	1.2
119.08580	9.8
121.10143	13.0
123.11723	11.5
125.09628	2.1
127.03892	5.6
131.08563	2.5
133.10158	5.2
135.11722	7.3
137.13237	1.8
141.12733	1.2
145.10143	4.8
147.11684	5.9
149.13272	11.6
159.11703	6.8
161.13188	5.5
163.14827	37.7
170.62184	1.3
173.13263	5.0
175.14838	6.5
177.16368	3.6
187.14824	3.5
189.16318	5.0
191.17938	10.8
201.16443	5.0
203.18073	2.1
215.18018	5.5
217.19543	2.2
219.17499	1.7
229.19463	2.0
229.81158	1.2
233.18967	1.6
233.61412	1.2
243.21153	2.0
245.22609	3.2
271.21402	1.5
271.24213	11.8
289.22046	3.4
289.25247	100.0
290.25626	3.1
314.28345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05520	20.5
57.07058	9.9
59.04987	3.6
65.03891	2.8
65.19042	2.9
67.05505	27.6
69.07067	36.4
71.05009	3.9
71.08613	3.5
71.60992	3.3
71.61403	4.9
79.05492	15.7
81.07059	48.7
83.08627	17.2
85.02901	4.1
85.06541	5.8
91.05466	9.6
93.07040	29.4
95.04955	5.2
95.08609	68.1
97.06550	3.7
97.10152	9.8
97.26584	2.7
105.07036	24.8
107.08605	49.3
109.06505	5.7
109.09460	5.5
109.10157	72.3
111.08079	6.7
111.11712	4.8
113.09630	3.4
117.07018	5.2
119.08577	31.1
121.06493	6.9
121.10162	42.5
123.08072	13.9
123.11711	30.7
125.09637	3.0
127.03918	100.0
131.08554	10.5
133.10135	29.4
135.08037	7.3
135.11719	26.9
137.09618	28.0
137.13243	15.3
143.08551	4.5
145.10110	15.0
147.08025	3.5
147.11678	18.8
149.09592	4.3
149.13295	18.0
151.11186	10.7
157.10168	5.3
158.63338	3.0
159.11693	21.4
161.13264	12.5
163.14828	11.3
168.80807	3.0
171.11801	5.4
173.13277	13.9
175.14842	11.5
177.12709	3.1
177.16383	8.2
179.14322	5.1
183.11794	4.4
187.14835	9.5
189.16432	11.6
191.14291	8.3
191.17993	5.4
201.16359	9.8
203.17841	3.3
205.15727	4.6
215.17967	4.0
219.13783	5.4
229.19565	7.4
233.15352	8.9
233.18971	6.6
243.07999	5.3
243.21036	6.6
245.22794	3.6
271.07504	4.8
271.21042	5.8
271.24194	20.3
289.08685	20.0
289.18250	6.0
289.21594	48.5
289.25238	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03950	3.5
55.01867	3.2
55.05270	1.6
55.05518	25.1
57.03441	2.9
57.07082	10.3
67.05173	1.9
67.05509	29.5
69.03419	6.4
69.07073	70.7
69.39700	13.9
71.04996	3.5
71.08628	2.0
77.57912	1.3
78.92809	1.4
79.05500	19.1
81.03410	4.0
81.07063	100.0
83.04971	3.9
83.08614	15.7
84.04523	6.8
84.04946	1.7
85.02897	5.6
85.06583	3.7
91.05480	15.9
93.07053	65.0
95.04984	10.8
95.08614	66.2
96.08949	2.0
97.02890	2.7
97.06557	7.0
97.10181	6.6
98.21512	3.1
98.97598	5.9
99.08087	2.4
105.07036	32.0
107.08605	47.9
109.06514	5.3
109.10162	41.3
109.10921	2.0
111.08090	9.6
111.11710	11.0
112.44945	1.5
116.98647	4.0
117.07017	2.3
119.08590	25.3
121.06526	1.7
121.10152	43.8
123.08063	4.4
123.10826	2.1
123.11713	36.5
125.09612	3.8
126.05556	2.6
127.03920	32.1
127.11160	2.7
128.06212	1.4
131.08577	6.7
133.10144	22.4
135.08052	1.9
135.11694	26.0
137.09657	3.3
137.13264	12.6
139.11186	7.3
145.10136	10.6
147.11703	20.6
149.13269	25.6
151.11192	14.1
151.14891	2.4
153.12698	1.9
158.99661	1.9
159.11720	14.6
161.02864	1.4
161.13297	17.2
163.11171	3.0
163.14815	9.1
165.12820	7.4
165.14003	1.7
173.13329	7.0
175.14789	12.1
177.00612	2.6
177.12756	3.3
177.16389	6.5
179.14337	3.8
187.14838	5.5
189.16422	7.3
191.14227	2.3
191.17987	3.0
195.17418	1.8
201.16377	5.2
203.17979	3.8
208.08612	5.8
208.58736	2.1
215.17964	8.2
217.19563	2.0
229.19540	2.8
231.21104	3.0
233.19092	3.1
245.22603	8.7
271.24243	19.1
280.67108	1.8
289.05792	2.7
289.08459	2.9
289.11115	3.3
289.14667	1.8
289.18295	3.3
289.25266	94.4
290.25644	2.9
313.13138	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03938	1.9
54.42811	1.0
55.01866	1.7
55.05264	1.3
55.05512	16.2
57.07085	7.2
65.03941	1.0
67.05507	24.2
69.03416	3.6
69.07069	52.2
69.45483	3.3
69.45911	6.4
71.04994	1.2
71.08633	2.1
77.51882	0.9
79.05490	14.0
81.07059	78.3
83.04986	2.3
83.08617	14.9
85.02914	1.6
85.06551	6.2
91.05478	10.7
93.06468	2.1
93.07045	34.5
95.04967	6.6
95.08609	57.2
96.08939	1.3
97.02849	2.4
97.06529	4.8
97.10175	7.3
98.97535	1.3
99.08110	3.2
103.05424	1.3
105.07030	30.4
107.08603	44.6
109.06531	4.9
109.10156	40.7
111.08102	8.8
111.11720	10.2
113.09633	1.4
116.98653	1.3
117.07011	2.3
119.01972	1.0
119.08584	27.1
121.10149	38.3
123.08083	2.2
123.11716	47.9
125.09647	2.8
126.18906	1.0
127.02965	1.6
127.03915	26.4
131.08563	5.8
133.10129	18.7
135.08080	1.2
135.11697	23.6
137.09624	5.5
137.13258	9.9
139.11183	7.9
143.01883	1.2
145.10117	8.7
147.11694	19.7
149.09586	1.6
149.13266	21.0
151.11174	8.5
151.14803	1.9
153.12788	2.4
157.04166	1.4
159.11707	12.4
161.02992	2.5
161.13278	20.7
163.11163	1.8
163.14816	13.6
165.12738	11.7
167.14328	1.5
171.11722	1.2
173.13303	9.1
175.14841	14.2
177.12759	3.6
177.16383	9.4
179.14313	3.4
187.14821	5.7
189.16365	9.7
190.65318	1.0
191.14378	1.7
191.18002	2.4
193.15895	2.0
201.16451	6.8
203.18018	6.2
207.17421	2.5
215.17897	7.5
217.19498	4.0
219.17444	2.5
229.19507	3.5
231.21127	1.4
233.18993	3.4
243.21042	2.2
245.22681	20.7
261.09134	1.2
271.24222	18.3
289.08597	4.3
289.21716	5.5
289.25253	100.0
290.25629	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03937	3.7
55.05524	17.0
56.96555	3.7
57.03446	2.6
57.07064	7.5
62.56325	2.2
65.03956	3.7
67.05505	22.2
69.03416	6.0
69.07069	24.4
70.06588	3.5
71.04986	5.3
71.61674	3.7
71.71844	2.0
79.05501	21.1
81.03423	5.2
81.06580	3.2
81.07055	49.4
83.04990	12.1
83.08591	12.5
85.02917	5.9
85.06532	7.7
88.07630	6.1
91.05483	13.2
93.07043	35.0
95.04948	7.5
95.08613	52.6
97.02895	2.6
97.06525	4.2
97.10159	3.9
105.07034	28.6
106.08649	2.9
107.08590	41.3
109.06527	57.7
109.10157	40.6
111.04429	6.0
111.08074	3.2
117.07026	3.2
119.08577	26.3
121.06509	2.6
121.10146	35.3
121.90192	2.1
123.08039	9.2
123.11711	21.3
125.09579	4.1
127.03921	100.0
131.08556	10.3
133.10143	19.3
135.08105	2.8
135.11714	24.3
137.09608	6.6
137.13232	9.4
143.08563	6.6
145.10150	13.0
147.11696	16.3
149.13264	13.8
151.11176	4.8
157.10106	3.9
159.08089	3.0
159.11711	17.4
161.13261	11.1
163.14813	10.3
165.09125	2.5
165.12740	2.3
170.10983	2.7
171.11636	3.8
173.09604	3.2
173.13254	9.8
175.02765	3.1
175.14812	10.7
177.16397	3.4
185.13290	2.7
187.14818	7.6
189.16371	6.5
191.17928	7.9
192.92387	2.7
193.03780	3.0
193.12173	3.0
196.12546	2.4
198.04375	3.2
201.12764	3.5
201.16321	5.0
202.30240	2.1
205.12305	3.4
211.14819	2.9
215.08618	2.2
215.14296	2.3
215.17982	4.5
219.13716	5.6
229.15909	5.5
229.19446	3.8
231.13773	2.9
243.21085	6.6
247.16930	3.7
271.16910	5.9
271.20474	8.5
271.24231	13.1
289.08533	9.7
289.17987	37.1
289.21579	22.6
289.25253	51.3
289.29282	30.4
290.18286	2.6
290.26822	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03938	4.3
55.01868	2.8
55.05508	17.0
56.96544	3.1
57.03437	2.4
57.07079	8.5
59.04990	5.5
61.02906	3.0
65.03923	2.1
67.05214	1.9
67.05505	18.4
68.99783	3.1
69.03425	4.8
69.07066	97.5
70.73987	3.0
70.74311	1.7
71.04998	2.6
71.08621	2.1
72.97606	2.0
73.02931	3.5
76.99392	1.6
79.05070	1.8
79.05495	25.6
81.03374	2.8
81.07054	100.0
83.04984	4.1
83.08603	10.7
84.04501	85.6
85.02890	13.8
85.06509	4.5
87.00818	7.1
89.46637	1.7
91.05467	11.9
93.07036	46.1
95.04954	2.6
95.08606	46.8
97.06542	5.2
97.10146	3.7
98.06048	1.9
99.04450	2.0
99.08074	3.0
103.03937	12.1
105.01862	2.1
105.07018	25.6
107.08595	53.4
109.02922	2.8
109.10159	35.4
111.08076	2.5
111.11723	18.9
117.06982	3.4
119.08576	45.2
121.10144	33.7
123.08009	2.0
123.11716	20.2
125.09577	2.1
126.05504	11.5
127.03908	19.5
127.11169	2.0
129.01820	5.7
131.08554	7.4
133.10123	20.1
135.08073	2.0
135.10681	3.7
135.11685	57.5
137.13283	6.6
139.11151	14.3
141.07027	2.4
145.10124	14.2
147.02829	3.0
147.11707	17.4
149.13252	24.1
151.11270	2.1
157.10077	3.0
159.11708	18.5
161.13249	11.3
163.14774	10.6
165.12816	4.0
167.14346	2.4
168.06491	2.0
171.11665	2.2
173.13318	9.1
175.14774	7.4
177.16380	9.6
179.14337	2.1
184.53372	1.8
186.07605	2.0
187.14854	5.4
189.03929	4.0
189.16362	7.6
191.17935	5.8
201.16354	8.0
203.17839	3.2
215.17924	6.6
219.17442	2.7
229.19414	3.2
231.13727	2.0
233.65260	1.7
243.21083	3.3
271.17148	2.2
271.20480	1.6
271.21399	1.9
271.24237	14.1
272.07639	4.8
285.10037	2.2
289.18002	8.7
289.21573	13.6
289.25235	44.8
290.08655	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	289.2526
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
52.91626	1.7
53.03946	3.7
55.05512	22.8
56.96571	3.4
57.03456	1.9
57.07068	8.0
67.05506	31.4
69.03463	2.0
69.07071	35.7
71.05000	3.3
72.66296	1.9
79.05499	20.7
81.07058	78.0
83.04983	4.9
83.08622	21.2
85.02905	4.3
85.06535	10.8
91.05470	16.8
93.07044	43.5
94.07320	2.0
95.04989	3.4
95.08610	97.6
97.02913	1.7
97.06523	10.5
97.10190	10.6
98.21525	4.8
99.08103	4.4
105.03372	1.9
105.07027	36.1
107.07876	4.2
107.08594	67.8
109.06536	4.3
109.10155	64.6
110.10536	2.1
111.04475	5.8
111.08082	5.6
111.11729	2.3
112.80066	1.8
117.07019	8.1
119.08578	54.8
121.06520	1.9
121.10144	63.9
123.08070	2.6
123.11715	45.8
123.12582	3.1
125.05939	2.4
125.09638	5.8
127.03914	42.3
131.08580	15.0
133.10135	40.4
135.08047	3.1
135.11705	40.9
137.09621	2.9
137.13237	14.8
139.11241	2.3
143.08592	5.5
145.10130	23.7
147.11678	31.5
149.09688	2.5
149.13266	24.0
151.07530	2.5
151.11142	3.3
153.09116	2.1
154.19131	1.9
157.10175	8.5
159.11711	33.2
161.09718	3.4
161.13275	25.7
163.07631	1.6
163.11237	2.3
163.14822	25.8
165.12758	3.8
171.11720	5.3
173.13252	21.4
175.02797	6.0
175.14822	29.9
177.12857	1.9
177.16351	11.9
179.10767	3.6
179.14352	2.5
180.40617	1.9
181.12253	3.0
181.16008	1.8
183.11772	2.9
185.13315	3.1
187.11174	6.7
187.14796	18.6
189.16403	28.2
191.10747	2.3
191.14330	2.1
191.17924	29.7
191.19334	2.4
193.03813	2.8
193.12294	2.5
193.15831	3.9
198.04428	3.8
201.12813	5.2
201.16426	13.8
203.17973	7.0
205.12263	7.9
205.16023	2.4
207.13776	5.5
215.08580	2.7
215.14374	3.8
215.17996	13.4
216.90739	1.8
217.19644	2.9
219.13805	12.1
219.17456	3.7
221.05846	1.8
227.17944	2.8
229.19463	13.6
233.09595	4.5
233.15379	10.5
233.19017	3.3
243.08083	10.3
243.21112	6.4
245.22659	17.5
253.19705	2.6
271.07535	5.3
271.17569	3.1
271.20612	14.3
271.24216	42.8
281.07089	1.9
289.08597	38.7
289.11911	2.9
289.18185	7.4
289.21655	68.9
289.25275	100.0
290.09036	2.6
290.22037	4.6
299.19855	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	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03946	3.9
55.05511	29.7
56.96549	4.3
57.03442	6.4
57.07071	9.5
57.17987	3.3
65.03951	4.0
67.05498	30.2
68.99796	4.1
69.03436	4.2
69.07066	38.2
69.35684	39.6
69.73208	3.6
71.04987	27.9
74.56618	3.2
79.05495	31.3
81.07056	100.0
81.07519	6.5
82.11044	3.2
83.04988	5.7
83.08617	18.7
84.04522	20.0
85.02938	6.7
89.72537	3.5
91.05482	25.8
93.07044	76.4
95.04940	3.9
95.08602	73.2
97.10182	5.4
99.08108	10.7
105.07021	47.7
107.04908	4.1
107.08594	80.0
109.06545	5.8
109.10165	70.9
111.11683	5.9
117.07017	3.6
119.08584	57.7
121.06514	7.1
121.10155	72.6
123.08045	3.9
123.11710	24.6
125.09602	5.8
126.05443	4.2
127.03920	46.9
127.11214	36.6
128.06236	4.7
129.01843	4.6
131.08556	12.6
133.10144	34.3
135.08060	5.1
135.11694	37.9
137.09598	4.9
137.13286	7.9
141.06966	5.7
142.08012	3.6
143.08630	5.1
145.10123	23.3
147.11688	34.7
148.78583	3.8
149.13242	63.7
153.01851	5.3
157.10229	5.2
159.08070	6.4
159.11713	26.6
161.13261	27.9
163.07623	3.7
163.14839	17.8
171.11670	4.1
173.13269	27.3
175.14886	12.5
177.16373	7.1
187.14816	28.9
189.16386	11.0
191.17935	12.5
201.16402	13.7
203.17952	70.2
203.19753	5.6
215.18036	13.5
229.15814	4.2
229.19551	4.1
243.17708	3.8
243.20937	3.9
253.16013	5.3
271.16946	8.7
271.24203	41.6
289.07080	7.3
289.18390	33.5
289.21579	26.7
289.25253	77.4
300.37997	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
51.95113	1.7
55.05505	10.0
56.71770	1.8
57.07064	3.6
67.05502	17.2
69.07065	21.2
70.06644	7.5
70.07051	3.2
79.05488	6.9
81.07056	34.4
83.08622	9.0
85.06549	1.7
87.26965	1.7
91.05466	5.4
93.07050	16.5
95.08607	46.2
96.05909	1.7
97.06531	2.6
97.10146	6.3
99.08102	2.8
105.07027	11.6
107.08601	27.1
109.06489	1.8
109.10151	47.4
111.08063	2.3
119.08583	19.1
121.10150	20.9
123.08060	6.8
123.11691	13.0
125.09621	3.9
131.08586	3.1
131.74590	1.8
133.10120	14.0
135.08023	2.4
135.11690	13.1
137.09616	26.0
137.13249	12.2
139.11137	1.6
143.38481	1.6
145.10081	6.1
147.11696	13.9
147.94594	1.7
149.09637	2.4
149.13283	10.1
151.11182	5.8
159.11757	8.8
161.13275	14.8
163.11180	1.6
163.14806	13.3
165.12804	2.0
167.14238	2.3
173.13264	5.6
175.14857	8.2
177.12823	2.6
177.16382	5.5
179.14297	3.1
179.16512	2.1
187.14825	7.1
189.16344	8.2
191.14308	1.8
191.17960	6.0
193.15855	2.3
201.16408	10.7
203.17928	2.7
215.18050	8.9
217.19456	4.7
219.17459	6.1
229.19427	3.8
231.21049	2.6
233.19005	4.4
243.20999	2.3
245.22618	2.5
271.24207	28.3
289.25247	100.0
290.25684	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05525	18.2
56.96556	7.8
57.07055	8.1
63.55427	2.2
67.05512	26.7
69.03452	4.4
69.07072	28.6
69.58552	2.2
70.86948	5.4
79.05493	13.1
80.55245	2.2
81.07066	52.8
83.04983	4.6
83.08619	14.7
85.02896	6.9
85.06541	9.2
91.05474	8.4
93.07054	23.8
95.04977	6.2
95.08607	68.7
96.08944	3.8
97.10160	6.1
99.08108	3.7
101.72523	2.1
105.07040	26.1
107.08599	39.8
109.06501	7.3
109.10156	54.9
111.04483	3.7
111.08074	6.1
111.11725	3.2
117.06996	3.7
119.08580	34.0
121.06561	4.8
121.10166	31.2
123.08038	6.7
123.11733	18.5
125.09646	8.3
127.03926	85.6
128.04234	2.7
131.08585	4.3
133.10133	25.8
135.08061	5.9
135.11696	17.7
137.09615	20.1
137.13249	10.8
143.08635	2.8
145.10118	12.3
147.11705	18.9
149.09708	3.0
149.13246	14.8
151.07640	2.8
151.11179	8.8
159.08066	3.7
159.11678	17.1
161.13321	17.7
163.14824	14.9
165.12834	2.6
167.44176	2.4
173.13303	12.9
175.02786	9.8
175.14894	12.8
177.12685	5.3
177.16431	8.5
179.14450	3.4
179.19524	2.3
187.14842	9.0
189.16483	13.3
191.17937	13.1
193.03787	5.8
197.13271	2.3
201.12732	3.1
201.16423	12.6
203.17900	2.5
205.15858	3.5
215.08490	4.7
215.17938	8.4
217.19443	4.4
219.17465	4.2
229.19402	4.9
233.19041	6.2
243.08061	7.5
243.21118	6.0
245.22728	5.4
261.09338	2.5
271.07462	4.9
271.17041	6.2
271.20813	4.0
271.24164	24.4
289.08694	28.3
289.18381	5.0
289.21582	23.7
289.25223	100.0
289.28799	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	289.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.05511	29.7
56.96549	4.3
57.03442	6.4
57.07071	9.5
57.17987	3.3
65.03951	4.0
67.05498	30.2
68.99796	4.1
69.03436	4.2
69.07066	38.2
69.35684	39.6
69.73208	3.6
71.04987	27.9
74.56618	3.2
79.05495	31.3
81.07056	100.0
81.07519	6.5
82.11044	3.2
83.04988	5.7
83.08617	18.7
84.04522	20.0
85.02938	6.7
89.72537	3.5
91.05482	25.8
93.07044	76.4
95.04940	3.9
95.08602	73.2
97.10182	5.4
99.08108	10.7
105.07021	47.7
107.04908	4.1
107.08594	80.0
109.06545	5.8
109.10165	70.9
111.11683	5.9
117.07017	3.6
119.08584	57.7
121.06514	7.1
121.10155	72.6
123.08045	3.9
123.11710	24.6
125.09602	5.8
126.05443	4.2
127.03920	46.9
127.11214	36.6
128.06236	4.7
129.01843	4.6
131.08556	12.6
133.10144	34.3
135.08060	5.1
135.11694	37.9
137.09598	4.9
137.13286	7.9
141.06966	5.7
142.08012	3.6
143.08630	5.1
145.10123	23.3
147.11688	34.7
148.78583	3.8
149.13242	63.7
153.01851	5.3
157.10229	5.2
159.08070	6.4
159.11713	26.6
161.13261	27.9
163.07623	3.7
163.14839	17.8
171.11670	4.1
173.13269	27.3
175.14886	12.5
177.16373	7.1
187.14816	28.9
189.16386	11.0
191.17935	12.5
201.16402	13.7
203.17952	70.2
203.19753	5.6
215.18036	13.5
229.15814	4.2
229.19551	4.1
243.17708	3.8
243.20937	3.9
253.16013	5.3
271.16946	8.7
271.24203	41.6
289.07080	7.3
289.18390	33.5
289.21579	26.7
289.25253	77.4
300.37997	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2374
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.03954	4.3
55.05509	23.8
55.39688	3.1
57.03440	5.3
57.07069	12.6
57.25012	3.3
67.05502	14.1
69.03415	13.9
69.07074	28.7
70.06590	16.3
70.07944	20.1
76.79159	3.7
79.05481	15.1
79.75093	3.5
81.03417	4.3
81.07069	28.8
83.04987	5.7
83.08605	25.4
84.04511	4.4
84.63230	3.6
85.02905	13.1
85.06541	4.8
88.07658	20.8
91.05465	11.8
93.07047	17.0
95.04982	6.1
95.08577	18.3
95.99870	3.4
97.06550	5.5
97.10179	17.1
98.21432	4.9
99.04463	7.2
102.09177	12.3
105.07024	16.8
107.04916	3.9
107.08579	16.9
109.06488	4.5
109.10168	12.8
111.11724	5.6
119.08590	15.7
121.06534	5.9
121.10137	15.1
123.08046	4.5
123.11709	7.3
125.09629	6.5
127.03934	34.9
131.08586	8.3
133.10133	12.9
135.08038	6.2
135.11690	12.9
137.13287	4.0
145.05000	6.9
145.10114	6.5
147.11754	7.0
149.13298	7.1
151.11165	4.8
157.10054	3.9
159.08052	4.6
159.11621	4.7
161.13356	5.7
163.07602	4.0
173.13269	6.0
175.14870	4.2
187.14850	4.3
217.19545	12.9
228.23209	28.4
231.13840	7.3
235.20586	9.4
243.21072	5.1
247.16855	8.5
253.21695	7.1
271.16934	4.1
272.25696	4.5
283.70700	3.8
289.17981	41.6
289.21463	11.6
289.25189	8.2
290.26910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2159
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
53.03931	2.1
55.05509	12.7
56.96564	1.1
57.07059	3.6
59.09083	1.0
67.05176	1.4
67.05502	22.4
69.03399	1.7
69.06728	1.5
69.07067	17.3
71.04971	1.7
71.08624	1.6
71.59119	1.3
76.45182	1.2
79.05486	15.0
81.06577	2.1
81.07051	35.2
83.04957	4.5
83.08618	15.5
85.02880	1.9
85.06554	1.7
91.05478	17.9
93.07045	27.8
95.04958	1.2
95.08604	42.6
97.02843	1.3
97.06501	2.8
97.10152	4.5
105.07024	32.4
106.07345	1.2
107.04955	1.6
107.08592	38.5
108.08013	1.1
108.08862	1.2
109.06503	3.3
109.10152	40.1
110.10463	1.4
111.04446	5.7
117.07008	7.9
119.08575	33.5
121.06496	1.8
121.10140	37.9
123.08073	3.0
123.11703	24.8
125.05978	3.7
125.09632	1.2
127.03924	14.4
129.06998	1.4
131.08580	12.2
133.10127	24.2
134.10545	1.2
135.08035	3.1
135.11693	24.1
137.05960	1.2
137.09589	1.9
137.13226	8.6
139.07547	3.1
143.08533	3.9
145.06406	1.5
145.10123	16.3
147.08052	2.1
147.11679	20.0
149.09578	2.3
149.13237	6.9
151.07515	2.4
151.14786	1.4
151.37451	1.1
153.09068	2.2
155.08537	1.9
157.10127	8.6
159.08017	1.8
159.11685	25.7
161.09567	2.7
161.13228	10.0
163.07520	2.6
163.11174	2.0
163.14774	3.1
165.09099	3.1
167.10680	4.2
169.10020	1.4
171.11653	5.5
173.09613	1.8
173.13257	17.9
175.02806	1.9
175.11192	1.5
175.14787	7.9
177.09105	1.6
177.12872	1.6
179.10600	5.6
181.12225	1.9
183.11642	2.7
185.13223	2.5
187.11157	3.9
187.14809	6.3
188.11530	1.1
189.12747	1.5
189.16389	6.4
191.10648	4.0
191.17929	4.0
193.12219	4.1
197.13300	2.0
201.12730	5.3
205.12202	6.8
207.13795	5.4
211.14850	2.2
213.16306	1.5
215.14290	4.5
215.17976	2.0
219.13834	14.2
221.15370	2.9
225.16298	1.3
229.19482	12.4
233.15358	11.2
239.17964	2.6
243.21074	6.7
247.16896	3.0
253.19522	1.5
257.18903	6.4
271.20590	14.5
289.21603	100.0
289.24725	5.1
290.22018	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	289.216
Annotation	Normethandrolone
Peak:m/z	Relative Intensity
53.03942	1.4
55.05264	1.1
55.05510	15.0
56.96559	1.5
57.07078	5.5
60.56611	0.7
61.02920	0.8
65.03933	1.2
67.05181	1.6
67.05505	24.5
69.03409	1.4
69.07066	20.9
69.45038	7.6
71.04996	1.7
71.08626	1.2
79.05066	1.2
79.05494	17.0
81.07054	41.9
83.04987	4.8
83.08144	1.3
83.08616	17.9
85.06560	1.2
90.31755	0.8
91.05483	15.0
93.07043	38.8
95.04951	2.5
95.08607	51.0
97.06503	2.1
97.10153	4.5
105.07029	26.9
105.07545	0.4
107.04955	1.5
107.08594	49.5
109.06503	3.1
109.10154	47.6
109.10922	1.4
111.04436	7.2
111.08079	1.4
111.11697	1.3
113.06047	1.1
115.05431	0.9
117.07008	6.3
119.08585	30.0
121.06503	2.3
121.10143	48.3
123.08038	3.7
123.11705	30.3
125.05994	4.2
127.03938	1.6
129.07008	2.6
130.07787	1.1
131.08562	13.3
133.06491	1.6
133.10132	25.2
135.08055	2.8
135.11691	33.3
136.12074	1.0
137.06003	1.5
137.09628	1.5
137.13264	10.6
139.07509	3.1
141.17062	0.9
143.08577	5.0
145.10118	18.6
147.08067	1.9
147.11688	17.3
149.09595	2.3
149.13254	11.2
151.07607	3.7
151.11217	1.1
153.09082	3.6
155.08540	1.2
156.09315	0.9
157.10114	11.2
158.10712	1.0
159.08061	1.9
159.11684	28.5
161.09592	3.0
161.13249	9.6
163.07477	1.1
163.11142	2.2
163.14799	2.5
165.09132	3.4
167.10631	5.3
171.11661	6.9
173.09608	2.8
173.13263	18.8
174.13736	1.1
175.02776	2.7
175.11092	0.9
175.14806	6.4
177.09088	3.3
178.73689	0.8
179.10625	4.5
181.12207	2.6
183.11671	1.5
185.13263	2.8
187.11212	5.5
187.14835	9.6
189.12729	1.9
189.16389	6.0
191.10649	3.9
191.17848	4.3
193.03856	1.8
193.12180	4.9
195.13824	1.3
197.13332	1.8
199.14801	1.0
201.12762	6.4
201.16400	2.4
205.12201	9.3
207.13750	5.4
211.14864	1.5
215.14293	4.5
215.17880	1.2
219.13805	22.4
220.13969	1.0
221.15352	4.4
227.17963	2.1
229.16013	1.9
229.19502	19.1
233.15388	14.1
243.21112	7.8
245.22621	1.4
247.16893	1.5
253.19601	3.2
261.18793	0.9
271.20569	19.0
289.08539	1.4
289.21603	100.0
290.22015	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
53.03944	1.2
55.05510	15.2
57.07079	6.8
58.55060	0.9
59.58518	1.1
63.70536	1.0
63.76140	1.0
65.03929	1.6
67.05170	1.7
67.05510	22.6
69.07070	21.3
69.46353	3.3
69.46776	5.9
71.04990	1.5
76.34837	1.0
79.05495	20.7
81.07060	37.9
82.07362	1.0
83.04964	3.4
83.08624	16.7
91.05480	15.1
93.06472	1.7
93.07051	35.9
95.04982	2.8
95.08611	55.2
97.06536	2.1
97.10170	7.3
98.20792	2.2
105.06313	1.1
105.06441	0.6
105.07027	26.2
107.04951	2.7
107.08598	52.2
108.08871	1.1
109.06504	3.2
109.10162	51.5
110.10471	1.1
111.04436	9.2
111.08094	1.4
117.06997	6.3
119.08582	34.7
121.06518	2.2
121.10144	49.0
122.10438	1.3
123.08065	4.0
123.11716	35.7
125.05990	6.8
127.03888	1.9
127.07523	1.0
128.06218	1.4
129.07019	2.6
131.08560	11.2
133.10132	26.3
135.08058	2.3
135.11690	33.3
136.11995	1.2
137.06021	2.1
137.09589	1.9
137.13261	10.7
139.07549	2.7
142.07790	1.5
143.08565	4.6
144.09291	1.8
145.06476	1.6
145.10132	18.8
145.11269	1.4
147.08058	2.4
147.11703	19.9
149.09607	2.4
149.13266	12.9
151.07512	2.4
151.14771	1.8
153.09129	3.1
157.10159	9.8
158.10924	1.5
159.08025	1.8
159.11694	29.5
161.09622	4.4
161.13298	10.4
163.07562	2.1
163.11119	2.0
163.14822	3.2
165.09090	3.8
167.10696	4.9
171.11696	6.8
173.09650	3.6
173.13280	20.6
175.02808	1.8
175.14777	8.4
177.09103	2.3
177.12758	1.7
177.16386	1.3
178.01505	1.0
179.10686	5.3
181.12248	4.8
183.11707	2.0
185.13304	2.5
187.11197	4.9
187.14812	7.9
189.12689	1.5
189.16373	10.2
191.10699	5.7
191.14278	1.9
191.17946	5.1
193.12209	4.8
197.13284	2.2
199.14778	1.0
201.12747	8.4
201.16338	2.3
203.14240	1.4
205.12273	10.9
207.13795	6.0
211.14926	1.3
213.16263	1.4
215.14372	4.8
219.13803	22.7
221.15417	3.6
227.17873	2.3
229.15973	2.3
229.19521	19.5
233.15387	16.2
234.15829	1.4
243.21080	7.6
245.22725	2.0
247.16884	1.8
253.19499	3.7
259.09238	1.0
261.22098	1.6
271.20563	18.5
289.21622	100.0
289.24918	3.4
290.21939	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	289.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01876	1.4
55.05512	12.5
57.03441	4.9
57.07061	2.8
61.02906	1.0
61.05201	0.9
65.03939	1.2
67.05172	1.3
67.05507	21.6
69.03422	4.3
69.06718	1.5
69.07066	21.2
71.04996	5.9
71.61542	1.2
73.06557	1.7
79.05490	14.4
81.03413	3.3
81.07058	48.1
83.04971	2.9
83.08614	11.3
84.04503	8.0
85.02907	7.4
85.06538	5.4
91.04961	1.3
91.05482	14.1
93.07043	28.6
95.04979	4.9
95.08608	55.8
97.02882	2.9
97.06528	8.2
97.10165	3.2
98.97582	1.5
99.04446	2.7
99.08082	2.7
103.03918	3.0
105.07020	18.6
107.04907	0.9
107.08591	24.4
109.02881	2.6
109.06509	3.0
109.10159	22.6
109.10871	0.8
110.98865	1.0
111.04373	1.1
111.08060	2.6
111.11697	1.1
113.06003	2.3
113.09604	1.9
115.72452	0.9
116.98595	1.1
117.07048	2.7
119.08577	31.0
121.10152	21.7
123.08091	2.5
123.11713	10.0
125.09620	1.3
126.05531	2.6
127.03918	100.0
128.04245	1.7
129.07036	1.6
131.08572	4.6
133.10127	23.6
135.08054	1.6
135.11703	11.8
137.09595	1.8
137.13234	7.2
139.11197	2.7
145.04924	1.7
145.10121	8.0
147.11673	12.6
149.09581	1.5
149.13264	6.5
151.11192	1.8
157.10143	1.8
159.08104	1.1
159.11700	10.2
161.13254	36.9
163.11168	1.8
163.14822	6.1
165.12750	1.4
167.10631	1.3
171.11703	2.4
173.13255	9.4
174.14032	2.0
175.14867	5.7
177.12784	1.5
177.16405	1.7
179.10753	1.5
179.14308	14.0
181.12186	1.5
183.11772	1.1
185.13261	2.0
187.11172	1.9
187.14825	6.4
189.16432	2.7
191.17805	1.1
197.13451	1.6
197.15392	3.8
199.14772	1.5
201.12698	2.0
201.16451	2.8
202.17119	5.7
204.66400	1.1
205.12129	1.3
215.14391	1.4
215.17989	3.0
219.13863	1.7
228.08978	1.5
229.15889	2.6
229.19530	6.5
233.15302	2.6
243.04460	1.3
243.17448	2.1
243.21011	1.5
245.22743	1.2
253.17986	1.8
268.88589	1.1
271.10559	1.2
271.18930	18.1
271.23840	5.1
289.05792	1.9
289.08606	1.7
289.11533	2.1
289.14688	2.1
289.18094	4.3
289.21585	38.3
289.25180	16.7
290.08731	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16771	1.9
53.03938	6.5
55.01868	8.6
55.05501	15.5
57.03436	4.2
57.07069	3.9
59.10113	1.8
61.51433	2.2
67.05225	2.1
67.05505	24.8
68.99809	2.7
69.03425	5.7
69.07070	11.2
69.61481	11.3
69.61887	5.2
71.04989	48.8
73.02934	2.9
73.28650	2.0
79.05489	63.8
81.03402	8.2
81.07051	28.4
83.04980	15.4
84.04508	24.1
85.02901	10.7
85.06541	17.0
87.00819	5.6
87.04465	7.5
91.05478	21.5
93.07040	77.8
95.04955	7.3
95.08599	26.9
97.02914	5.3
97.06523	14.2
98.20746	3.8
98.97614	3.1
99.04458	4.3
101.06031	4.4
103.03939	8.2
105.01865	2.6
105.07045	16.9
107.04949	9.9
107.08596	29.8
109.02875	3.3
109.06496	2.8
109.10162	2.8
111.04434	7.3
113.05988	2.0
115.03930	8.4
119.08589	8.0
121.06510	4.4
121.10137	100.0
123.04326	2.3
123.08047	7.3
125.05990	6.7
126.05497	6.5
127.03912	91.3
129.05528	2.2
129.07060	2.6
131.08563	18.0
137.09506	2.2
139.11171	31.9
149.09615	41.0
157.12242	30.5
167.10674	52.2
168.06602	2.6
180.26680	2.3
185.11754	14.2
268.11243	2.6
289.06058	27.7
289.18228	2.4
289.21368	2.3
290.08676	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	289.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01224	3.5
54.61297	3.9
55.05512	20.7
56.96550	8.7
57.03419	3.9
57.07076	10.5
63.92255	3.8
65.03935	3.8
67.05504	26.4
67.11459	3.6
69.03399	4.9
69.07070	28.3
71.05000	5.3
71.59146	4.5
71.59593	6.8
73.23222	4.2
73.26925	3.3
79.05478	23.1
81.03409	6.1
81.07041	49.8
83.04982	10.8
83.08617	20.9
83.43465	4.2
84.04479	20.3
85.02893	12.0
85.06522	8.7
85.91885	3.6
91.05480	42.4
93.07033	50.3
95.04964	10.1
95.08598	54.0
97.02885	8.6
97.06562	6.1
105.07018	41.4
107.08581	47.4
109.02835	5.4
109.06501	15.9
109.10153	44.7
111.04359	4.0
111.08071	6.7
115.05502	5.4
117.06998	8.0
119.08562	46.0
121.06478	9.4
121.10146	35.9
123.11673	15.8
125.09614	7.0
126.05531	5.0
127.03914	100.0
129.06984	5.0
131.08539	22.3
133.10129	40.3
135.04408	6.3
135.08047	14.3
135.11687	20.7
137.09592	4.9
139.11153	4.7
141.06956	4.6
142.63577	4.1
143.00099	4.5
143.08498	6.8
145.06456	5.2
145.10117	21.5
147.08032	11.8
147.11646	14.7
149.09579	6.9
149.13249	12.1
151.61317	3.8
153.01811	5.7
155.08440	3.8
157.10098	10.3
159.08058	9.3
159.11665	24.7
161.09633	7.5
161.13231	13.8
163.11200	6.5
163.14752	6.0
169.10103	4.3
171.11632	11.3
173.05986	5.0
173.09669	9.3
173.13255	18.9
175.14783	9.7
177.05376	7.2
185.13319	5.1
187.11206	10.2
187.14835	10.0
188.12012	4.7
189.12759	4.4
189.16373	8.9
189.60442	4.8
191.17870	5.8
201.16385	6.8
205.12274	4.7
215.07004	9.3
215.14404	4.9
215.17818	6.8
219.13724	8.3
229.15698	4.8
229.19540	8.2
231.13817	19.8
233.15295	6.5
243.06480	11.3
243.20972	9.4
247.16885	5.7
271.16946	10.1
271.20581	9.3
271.24167	12.9
289.06714	12.6
289.11975	60.0
289.17978	78.3
289.21591	57.9
289.25235	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24986	0.2
53.03934	0.5
55.01876	0.4
55.81773	0.2
57.03437	0.4
61.02914	0.9
66.07981	0.2
69.03423	1.3
70.38629	0.8
71.12827	0.2
73.02908	0.5
77.27409	0.2
81.03422	0.9
85.02420	0.4
85.02905	5.2
91.03964	0.2
97.02888	1.4
99.04466	0.4
109.02869	0.8
127.03917	100.0
128.04272	1.7
142.90253	0.2
145.04961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01862	0.6
55.05513	0.9
56.96556	0.8
57.03426	0.7
57.07071	0.3
61.02929	0.9
62.93752	0.1
65.03937	0.2
67.05511	1.2
68.99750	0.2
69.03429	2.1
69.07063	1.1
69.30662	1.8
71.04993	1.5
73.02908	0.6
79.05489	1.9
81.03419	1.2
81.07053	1.6
83.04974	0.6
83.08629	0.4
84.04510	0.9
85.02909	5.5
85.06538	0.7
86.09683	0.3
87.00802	0.2
87.04477	0.4
91.03955	0.4
91.05499	1.0
93.07050	3.3
95.04968	0.3
95.08597	1.8
97.02893	2.2
97.06528	0.5
97.10165	0.4
98.97584	1.9
99.04453	0.6
105.07008	1.3
107.04950	0.4
107.08615	1.6
109.02876	1.1
109.06528	0.3
109.10156	1.1
110.97549	0.3
111.04468	0.4
115.03941	0.3
116.98618	2.1
117.07050	0.2
119.01930	0.4
119.08586	1.4
120.08112	0.2
121.02939	0.4
121.06497	0.6
121.10153	3.6
123.08088	0.4
123.11705	0.5
125.05991	0.5
125.09592	0.2
126.05505	0.2
127.03918	100.0
128.04254	1.2
128.98622	0.2
129.06996	0.2
131.08603	1.0
133.10149	0.6
134.99651	1.4
135.08067	0.3
135.11687	0.4
136.08821	0.2
137.05994	0.2
137.09615	0.3
139.11179	0.8
145.04987	0.5
145.10138	0.5
146.99620	0.2
147.11708	0.5
149.06015	0.3
149.09589	1.2
149.13220	0.4
151.11218	0.4
153.00772	0.2
157.10202	0.3
157.12233	0.6
158.01205	0.2
158.99634	0.7
159.11691	0.6
161.09705	0.2
161.13239	0.4
164.07042	0.9
167.10655	1.2
169.10106	0.3
171.11676	0.3
172.08876	0.2
173.09601	0.3
173.13251	0.4
175.11092	0.2
177.00710	1.2
179.10648	0.2
185.11749	0.4
186.02072	0.2
187.11217	0.4
187.14865	0.4
190.06625	0.2
200.02284	0.2
201.12685	0.2
201.16402	0.2
211.15001	0.2
231.13928	0.2
238.10364	0.3
244.49579	0.2
247.10896	0.4
268.11594	0.6
268.61856	0.2
271.16983	0.2
277.12070	0.4
289.06046	3.2
289.08759	0.3
289.11856	0.3
289.15134	1.0
289.18033	0.9
289.21548	0.8
289.25186	0.6
299.20319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03939	0.7
55.01865	0.7
55.05501	1.1
57.03423	0.9
57.07055	0.3
58.63874	0.3
59.02623	0.2
61.02920	1.2
62.40178	0.2
63.53656	0.3
67.05505	1.7
69.03427	2.1
69.07063	1.4
70.06612	0.3
71.04980	0.9
71.24781	0.7
73.02915	0.5
76.06665	0.2
77.69290	0.3
79.05477	1.0
81.03407	1.2
81.07050	2.7
83.01315	0.3
83.04974	0.5
83.08612	0.8
84.04500	0.9
85.02430	0.4
85.02905	6.2
91.03968	0.4
91.05472	1.2
93.07046	1.9
95.04966	0.8
95.08611	2.4
97.02894	1.8
97.06493	0.5
99.04465	0.6
105.07040	1.7
106.07348	0.3
107.04942	0.4
107.08583	2.1
109.02856	1.1
109.06522	0.5
109.10168	1.7
110.60853	0.3
111.04440	0.4
111.11700	0.3
117.06994	0.5
119.01869	0.5
119.08582	1.7
121.06487	0.5
121.10120	1.3
123.08131	0.3
123.11707	1.2
125.09698	0.4
126.05570	0.3
127.03911	100.0
128.04250	1.0
129.06967	0.2
131.08551	0.7
133.06544	0.3
133.10141	1.3
135.08131	0.3
135.11688	1.0
143.08559	0.5
145.04950	0.5
145.06419	0.3
145.10158	0.8
147.04411	0.3
147.08015	0.5
147.11700	1.0
149.13264	0.6
153.01781	0.4
155.08562	0.3
157.10059	0.3
159.08052	1.2
159.11713	1.0
161.02985	0.4
161.09602	0.3
161.13278	0.6
163.03867	0.7
169.01430	0.3
169.10104	0.4
173.09615	0.4
173.13219	0.4
175.14941	0.3
177.16484	0.3
187.11136	0.3
187.14839	0.4
189.16393	0.6
211.11148	0.3
243.21060	0.5
246.06721	0.3
271.16937	0.9
271.20364	0.3
271.24225	0.8
289.05942	0.4
289.11075	0.5
289.14725	0.4
289.17981	3.4
289.21548	1.8
289.25183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.85797	0.2
53.03943	0.4
55.01874	0.2
57.03430	0.5
59.43956	0.2
61.02942	0.9
63.49862	0.2
69.03429	1.6
71.03663	0.4
71.04008	0.2
71.05002	0.3
73.02902	0.5
81.03409	0.8
85.02422	0.4
85.02910	4.6
86.46426	0.2
87.04461	0.3
91.03956	0.3
97.02897	1.4
105.75414	0.2
106.55397	0.2
109.02896	0.9
125.39700	0.2
127.03923	100.0
128.04251	1.9
145.04964	0.7
272.75955	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
52.61352	0.3
53.03941	0.5
55.01863	0.4
55.05505	1.1
56.05024	1.0
56.96556	0.8
57.03447	0.5
57.07067	0.4
61.02922	1.0
67.05497	2.0
69.03441	2.5
69.07062	2.0
71.04994	1.1
71.09763	0.8
72.23428	0.3
72.93752	0.4
73.02914	0.5
79.05494	1.6
81.03413	1.4
81.07056	5.3
83.08642	0.7
84.04507	0.7
85.02908	5.0
85.06507	0.4
91.05489	1.9
93.07046	6.1
95.04983	1.0
95.08607	3.3
97.02892	2.5
97.06525	0.4
97.10181	0.4
98.97579	1.3
99.04445	0.8
105.07039	1.9
107.08604	4.2
109.02871	1.2
109.06511	0.3
109.10146	2.7
110.09667	0.4
110.81171	0.4
111.08080	0.4
116.98636	1.5
117.07019	0.6
119.08575	2.4
120.96642	0.9
121.10156	2.6
123.08094	0.5
123.10008	0.4
123.11731	0.9
124.07572	0.4
125.39727	0.4
127.03922	100.0
128.04254	1.8
129.06982	0.5
131.08595	0.5
133.10114	2.0
134.99635	1.2
135.11714	2.4
135.45581	0.4
137.05983	0.5
137.13245	0.4
145.05019	0.6
145.10152	0.8
146.07130	0.4
147.11691	1.1
149.13281	2.1
154.02696	1.8
157.10231	0.4
158.99634	0.8
159.11708	0.8
161.13268	0.8
163.76506	0.4
164.14447	0.8
169.10191	0.4
172.95267	0.5
175.14862	0.5
177.00714	1.4
187.14844	0.4
188.92464	3.6
190.11243	0.4
191.04987	0.4
191.15479	1.2
203.17838	0.5
205.79245	0.4
208.12195	0.6
243.08167	0.5
245.22835	0.4
262.12054	1.8
265.13889	1.3
271.24286	0.6
284.99771	0.4
289.03177	3.8
289.05966	1.1
289.08759	3.2
289.14865	1.5
289.18213	1.0
289.21844	0.7
289.25201	3.8
299.20370	0.4
307.03824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01875	0.4
57.03441	0.4
61.02927	1.1
68.99796	0.1
69.03431	1.7
70.19109	0.1
71.23527	0.3
72.75699	0.1
73.02905	0.3
81.03418	0.8
85.02907	4.8
87.04474	0.3
91.03955	0.3
97.02888	1.2
99.04450	0.4
109.02877	0.8
112.99985	0.2
113.24873	0.2
127.03916	100.0
128.04248	1.7
145.04959	0.9
171.53288	0.2
193.92220	0.2
201.99741	0.1
255.87206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03939	0.5
54.84048	0.2
55.01865	0.4
57.03420	0.5
61.02924	1.0
69.03437	1.4
69.07088	0.3
69.80746	1.7
70.91018	0.2
71.04966	0.4
73.02905	0.5
81.03410	0.7
81.07032	0.3
84.04505	3.3
85.02906	5.5
86.09725	0.4
91.03938	0.3
93.95719	0.3
97.02890	1.8
99.04443	0.6
103.03922	0.5
105.07017	0.3
109.02867	1.0
119.01926	0.4
126.05513	0.8
127.03917	100.0
128.04259	1.2
131.44940	0.3
145.04971	1.0
149.06067	0.3
168.06647	0.5
189.03896	0.3
189.90877	0.3
192.10733	0.3
219.13802	0.3
289.17969	0.4
289.25354	0.4
290.08743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
54.08152	1.3
55.01878	10.2
55.05515	6.5
56.96571	4.1
57.03434	2.7
57.07080	1.9
58.58531	1.1
61.02929	2.2
63.64443	1.2
65.03952	9.6
67.05508	23.4
68.99792	4.6
69.03432	23.6
69.07085	7.9
70.70229	3.9
71.01366	3.2
71.04990	4.9
73.02922	4.0
79.05500	4.5
79.44258	1.0
81.03425	13.7
81.07061	13.0
83.04987	10.8
83.08637	3.3
84.04498	1.5
85.02908	12.8
85.06556	1.3
87.00842	9.8
89.72585	1.3
91.05486	6.0
93.03409	8.8
93.07031	8.2
95.01340	4.2
95.04971	32.3
95.08604	10.7
97.02898	41.1
97.06549	1.9
97.10178	1.8
98.97582	5.4
99.04488	3.3
101.02386	4.9
105.01886	2.3
105.07032	6.0
107.04969	1.4
107.08604	10.1
109.02876	9.0
109.06477	2.4
109.10149	6.9
111.04449	19.0
111.08055	1.4
113.02393	6.3
115.03922	2.6
116.98637	4.2
119.08587	6.0
121.02877	39.5
121.10167	7.4
123.00748	1.3
123.04501	1.5
123.11745	6.4
125.02359	47.6
125.03270	2.4
125.34373	1.1
125.88187	1.2
127.03924	100.0
129.07100	1.0
131.04929	1.6
131.08575	1.6
133.10141	3.1
134.99719	1.6
135.08133	1.1
135.11734	4.7
137.13266	1.8
139.03908	22.2
141.01862	5.0
143.03426	4.4
143.08603	1.6
145.05003	1.4
145.10115	2.2
147.11716	3.5
149.02315	2.7
149.13261	3.4
153.01813	1.6
155.03421	2.8
157.04997	5.5
158.99644	1.4
159.02928	2.8
159.11734	2.7
164.07014	1.3
167.03430	23.0
173.09662	1.3
173.13269	2.5
175.06088	2.2
175.11198	1.4
177.00793	4.5
184.08354	1.1
185.04469	67.8
186.02223	1.5
188.92424	1.5
199.11617	1.8
203.05524	8.6
207.11450	1.7
207.61688	1.5
213.12708	1.8
229.15652	1.2
243.04610	2.3
253.03593	2.1
265.13770	1.3
268.10928	1.3
271.04489	28.5
271.17059	2.5
271.20599	1.4
273.63702	2.6
279.63669	2.2
280.14389	1.8
288.64307	4.1
289.05841	7.8
289.08670	1.1
289.14771	8.0
289.18054	5.7
289.21643	5.0
289.25055	10.3
289.64755	1.2
311.65353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01871	16.9
55.05515	12.7
56.96564	8.5
57.03431	9.2
65.03934	19.5
67.05506	35.9
68.99777	10.8
69.03431	39.4
69.07067	18.3
71.01357	4.2
71.04989	6.8
71.18472	5.9
73.02906	6.1
79.05485	9.0
81.03417	23.4
81.07059	34.6
81.69138	2.4
83.04979	21.8
83.08607	3.9
84.04488	9.0
85.02905	19.6
85.06519	3.2
87.00830	17.3
91.05470	17.2
93.03416	13.0
93.07034	22.6
95.01337	6.0
95.04962	40.7
95.08608	28.5
97.02898	60.3
97.06497	5.9
98.47511	2.6
98.97581	30.6
99.04453	4.8
101.02379	10.3
102.65368	2.8
105.01865	2.7
105.07027	19.0
107.08594	20.5
109.02857	15.6
109.06519	7.4
109.10155	17.6
111.04429	36.1
113.02397	17.0
115.03929	5.3
116.98623	25.4
117.06992	6.0
119.04934	3.8
119.08575	34.8
121.02869	64.3
121.06519	6.2
121.10126	14.7
123.04435	4.4
123.08095	2.6
123.11682	7.2
124.07624	2.7
125.02355	65.4
127.03915	84.6
129.01869	4.8
129.07045	3.5
131.08540	9.1
133.10094	12.2
134.99641	16.0
135.04393	7.7
135.08066	7.3
135.11681	9.9
137.02252	2.4
137.05928	3.4
137.09619	3.7
137.13240	9.0
139.03908	38.3
141.01819	7.7
143.03403	6.4
143.08586	6.1
145.02744	3.1
145.10123	13.6
147.08080	5.5
147.11676	8.6
149.02353	3.8
149.09660	6.0
149.13232	6.3
155.03380	3.5
157.04982	11.5
157.10115	6.7
158.99646	13.0
159.02861	4.0
159.08066	11.7
159.11717	12.4
161.09578	4.4
161.13235	6.9
161.86029	2.7
163.03899	22.3
163.11198	3.7
163.14781	4.4
164.07036	8.8
167.02124	4.0
167.03415	33.9
169.10085	4.4
171.11646	5.6
173.09607	7.5
173.13260	8.1
175.06065	4.3
175.14769	2.9
177.00665	25.7
183.11734	3.2
185.04465	100.0
187.11209	5.3
187.14771	4.1
189.16403	2.7
195.01836	2.7
200.02310	6.1
201.12662	2.8
201.16397	5.2
203.05479	15.4
203.35971	2.8
211.14772	5.3
215.10489	4.0
215.17917	4.6
218.07265	4.1
218.84010	2.6
219.01698	4.8
227.07506	2.6
229.15880	3.3
233.11766	4.0
243.21060	4.0
246.06747	6.3
253.03220	5.9
253.15866	4.6
261.09149	3.8
271.04492	57.6
271.14093	2.5
271.16943	13.1
271.24185	5.1
273.94479	2.9
274.06430	3.6
289.05862	13.0
289.08667	10.7
289.14960	6.1
289.17981	36.6
289.21573	13.1
289.25168	16.2
299.19873	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	289.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05511	1.4
56.96567	13.1
57.03440	1.7
58.99888	1.4
61.02918	3.4
61.83072	1.0
69.03435	4.3
69.05852	1.1
70.06590	4.5
71.04991	1.5
71.06910	1.9
72.08152	3.3
73.02918	1.9
77.00915	1.6
81.03439	1.5
82.99867	1.5
83.06273	1.1
84.08127	2.8
85.02897	6.6
86.09711	3.6
96.01607	1.3
97.02892	4.8
98.21502	2.7
98.97594	9.4
101.00880	18.6
102.05595	1.3
105.00331	1.5
109.07651	1.7
110.03676	1.3
113.00890	1.1
113.03511	1.9
115.02433	11.5
116.98643	10.3
117.04017	2.1
118.18941	1.1
119.01929	100.0
120.02075	3.5
127.03939	28.7
127.04912	2.1
127.08689	7.2
129.03995	3.1
129.10294	2.4
131.01920	11.8
132.10295	1.5
133.02592	0.9
133.03473	30.9
134.99644	6.0
137.02969	35.2
142.03539	3.3
143.01898	10.3
144.99858	4.0
145.03459	5.8
146.99649	2.0
147.01402	1.8
147.05011	6.0
149.02980	4.5
151.04491	6.7
157.03456	2.7
161.02968	47.3
161.06627	1.6
161.75424	1.3
163.04613	2.3
168.99820	6.8
171.01416	6.3
173.02988	7.1
175.00896	2.7
175.04521	2.9
177.00740	2.4
177.02509	2.1
178.04906	2.0
179.02335	2.0
179.04028	4.6
184.04530	2.1
185.02994	2.7
187.00899	21.1
187.04553	2.8
189.02504	11.9
190.95459	2.0
191.03999	9.1
193.00331	1.5
196.99257	2.3
199.00824	8.2
199.04518	4.4
201.02484	2.8
203.00427	2.0
203.04053	2.9
205.01968	15.8
205.05586	2.3
207.03552	3.2
214.98457	1.0
215.00385	23.2
215.02258	2.4
217.01949	21.1
217.05463	2.5
219.03554	10.2
222.02347	1.4
223.02945	2.3
224.08139	1.6
229.02003	6.7
230.06972	1.7
231.03604	2.9
233.01515	3.6
235.03030	3.2
247.03001	19.3
248.03085	1.5
248.08136	3.3
259.03079	2.2
265.04034	8.0
275.97925	1.2
276.11066	1.3
277.04108	5.6
289.04050	8.2
289.07394	11.9
289.10892	1.1
289.14230	3.1
289.20657	2.9
307.05136	9.3
307.08844	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	288.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25822	0.7
53.03940	0.9
53.32239	0.7
54.93021	0.8
55.05513	9.1
56.96541	0.8
57.05836	0.7
60.04539	0.8
66.52108	0.6
67.05519	1.2
69.03431	2.5
69.07072	2.2
69.81741	1.8
69.82153	2.2
70.06591	4.3
71.04985	2.5
71.29221	0.7
72.08154	100.0
79.05468	1.3
81.03436	1.8
81.07068	1.8
83.05009	0.8
83.87978	0.7
84.08173	1.4
85.02920	2.7
86.06059	1.1
86.09705	64.0
87.10068	0.9
91.05486	1.3
93.07081	1.5
95.04941	0.9
97.02891	2.7
98.21437	0.7
99.04444	1.2
103.03954	1.9
104.07120	1.3
105.07061	1.1
109.02870	1.6
110.07177	0.9
111.05536	0.8
116.98597	1.5
118.08656	3.8
120.96642	2.7
127.03923	14.9
127.04810	1.3
129.10239	61.1
131.06978	0.7
132.10204	15.6
143.11798	19.2
145.04987	0.9
146.05930	0.8
147.04434	1.1
154.94186	0.8
157.09735	26.0
157.13350	12.8
158.97397	1.2
171.11290	6.8
172.95229	1.8
176.98468	1.1
177.05583	0.8
185.12888	5.7
189.12328	8.8
189.13713	0.8
190.96309	1.7
200.00137	0.9
200.98434	1.5
215.11806	1.4
217.10132	0.8
217.15465	0.8
228.14426	1.1
270.08749	1.0
270.17111	1.0
271.10690	0.8
288.05893	3.7
288.09015	0.9
288.10266	1.0
288.13873	1.6
288.17630	2.6
288.20465	1.1
289.05682	3.8
289.11575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.6
55.05506	3.4
56.96301	4.4
56.96568	85.6
57.03424	9.6
60.05643	10.6
61.02911	8.5
69.03427	26.2
70.06595	67.4
70.98153	3.0
71.04987	4.1
71.58099	4.6
72.08158	8.2
73.02911	10.6
74.97604	3.3
81.03419	9.1
81.07069	5.1
84.04488	3.6
84.08132	16.1
84.96027	4.6
85.02913	43.8
86.09721	25.8
87.04465	7.5
88.99166	3.8
97.02888	27.7
98.97563	19.8
99.04452	3.1
101.00856	3.7
108.04456	3.8
109.02872	6.8
110.97572	7.7
112.08726	7.1
115.03957	6.6
116.07085	11.7
116.98608	14.8
118.08669	3.8
119.01897	27.3
126.05527	16.9
127.03923	62.1
128.04324	3.4
128.98598	17.2
129.10248	5.9
131.00200	4.2
131.01910	7.4
133.03445	8.5
133.04956	4.4
134.99641	16.7
137.02946	10.9
145.04961	4.0
146.99646	24.2
147.04347	8.5
149.01256	5.2
149.02969	7.2
152.05716	3.4
154.94141	4.3
156.05138	8.0
156.97467	6.9
160.06467	5.9
161.03020	7.3
165.00685	18.4
168.05194	11.3
172.95241	10.3
173.02834	5.2
174.00751	10.8
174.99005	31.6
175.11917	17.8
177.00693	11.5
177.02219	5.2
177.05817	3.1
177.56261	3.9
182.03358	3.5
185.02939	3.2
187.00978	4.5
187.02634	3.4
188.05992	7.0
189.00676	5.8
189.02356	4.1
190.96263	10.0
190.98668	8.0
193.00211	100.0
197.56763	11.9
198.06451	8.3
201.00673	11.3
201.04364	3.6
205.00272	5.7
205.05522	9.3
206.07083	7.5
211.01228	11.6
217.02013	4.6
219.01730	6.9
219.03510	6.1
222.05408	5.8
223.01311	6.8
224.08084	17.9
228.17177	3.6
229.15462	9.1
236.53462	3.7
237.02779	5.4
247.09512	3.4
270.06528	5.2
283.02240	6.7
288.07614	43.1
288.10382	8.1
288.20325	69.4
289.04105	4.1
289.08459	4.6
306.08698	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	287.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95283	2.0
55.01851	2.5
55.05511	61.0
57.03432	2.7
57.07077	59.8
59.04971	2.6
63.73719	2.1
65.88107	2.2
67.05170	2.8
67.05504	36.6
69.03422	2.5
69.07068	100.0
70.26485	9.2
71.04980	4.7
71.08628	37.3
72.91729	2.1
73.06529	4.3
79.05494	25.5
81.07055	71.5
83.04970	12.7
83.08146	4.0
83.08620	73.4
84.08969	2.5
85.06551	4.5
85.10187	21.6
91.05470	5.5
93.06477	2.7
93.07045	45.1
95.04977	3.1
95.08611	74.9
97.06535	34.2
97.10172	52.7
99.08070	3.7
99.11706	3.3
101.06017	4.7
105.07009	10.3
107.08598	43.3
109.06488	3.1
109.10153	35.4
111.08072	18.7
111.11724	14.2
113.09583	2.6
113.13315	2.9
115.07563	7.6
116.48140	2.0
117.07015	2.3
119.08587	13.8
121.02802	3.1
121.10143	56.1
123.11720	23.1
125.09630	19.3
125.13251	4.2
127.11250	2.8
129.09126	11.0
131.08551	7.5
133.10123	8.9
135.11693	51.9
137.13248	11.5
139.11177	26.9
143.08498	3.1
143.10637	5.2
145.10136	7.0
147.11682	8.5
149.13252	36.1
151.14772	3.0
153.01857	5.5
153.12776	19.9
157.10103	6.7
157.12245	7.0
159.11693	9.0
161.13274	7.4
163.14799	23.4
165.01825	2.8
167.14290	12.9
171.11641	6.6
171.13795	4.9
173.13246	9.6
175.14796	4.9
176.12828	3.7
177.16377	8.8
181.15851	9.6
185.05890	2.5
185.13232	4.6
185.15392	6.0
187.14827	4.6
188.18098	2.3
191.17824	2.6
195.17496	3.5
195.21069	4.2
199.14897	5.3
199.16780	2.9
203.12772	22.5
213.16412	4.8
217.15935	3.0
219.21072	68.0
227.18048	5.5
229.19391	3.2
237.22122	60.4
241.19374	3.3
255.23196	12.0
256.26349	3.0
269.19205	5.0
269.22650	16.9
280.33914	2.6
287.05493	77.5
287.20026	19.0
287.23657	30.4
287.28262	3.5
288.05826	4.7
288.23950	3.0
290.48648	2.2
291.13910	3.2
297.59610	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
52.63195	1.1
53.03945	2.4
55.05511	10.7
56.30727	1.1
57.07066	2.9
58.84523	1.1
65.03903	1.3
67.05499	15.8
68.91506	1.1
68.99783	2.5
69.03420	2.6
69.07066	14.9
69.48648	4.5
69.49079	5.6
71.04987	4.9
79.05495	14.2
79.80618	1.1
81.03386	1.3
81.07058	42.5
83.04987	5.2
83.08611	5.3
85.06542	2.2
91.05468	11.4
93.07044	32.5
95.04961	4.5
95.08609	30.4
95.09145	0.8
96.08952	1.4
97.06539	3.9
97.10187	2.2
98.21537	2.1
99.04453	1.2
105.07034	25.9
107.04967	1.7
107.08597	35.1
109.06502	3.7
109.10155	21.0
110.10554	1.3
111.08089	3.8
115.05421	1.5
117.07014	5.8
119.08580	31.2
119.09446	1.6
120.08878	1.7
121.02869	3.3
121.06548	1.8
121.10141	26.8
122.10477	1.2
123.08092	2.7
123.11719	9.1
125.05986	4.1
125.09651	2.6
127.11182	3.4
128.06258	1.7
129.07028	3.0
130.07802	1.7
131.08574	9.3
133.10135	21.1
134.10487	2.0
135.08041	3.4
135.11694	13.9
137.06000	1.5
137.09639	3.4
137.13283	2.7
139.11208	2.0
142.07771	1.9
143.08566	6.8
144.09259	1.5
145.06516	1.3
145.10103	22.3
147.08066	1.7
147.11690	20.0
149.09647	2.8
149.13240	15.2
151.11189	2.8
153.01820	5.6
156.09354	2.3
157.10103	10.0
159.11681	20.1
161.09583	3.5
161.13239	8.9
163.07404	1.4
163.11214	1.8
163.14813	4.8
165.12759	2.0
169.10138	1.6
170.10928	1.7
171.11673	9.7
173.09612	1.7
173.13274	14.2
174.13651	2.1
175.07674	1.3
175.14848	6.2
177.12814	2.1
177.16312	3.1
185.13283	9.3
187.11145	1.5
187.14836	9.2
189.16414	6.6
199.11092	2.0
199.14784	8.5
201.16396	18.7
203.14287	1.2
203.17953	1.5
213.05482	1.9
213.16386	9.4
215.17943	3.9
216.04164	1.9
217.12259	3.3
217.15872	3.0
227.03593	1.4
227.17950	7.0
229.19492	4.8
231.17468	3.4
234.15744	4.9
241.19579	3.0
243.02861	4.6
243.21054	2.3
244.03755	8.5
255.02957	3.7
259.23981	1.6
269.15308	1.5
269.18976	3.6
269.22653	24.9
272.03140	5.8
287.05518	100.0
287.16473	10.7
287.20090	20.1
287.23691	57.8
288.05692	6.0
288.10312	1.5
288.20746	1.6
288.23972	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	287.2371
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03938	2.1
55.01884	1.8
55.05511	15.9
56.96567	2.4
57.07061	4.0
65.03928	2.7
67.05511	21.8
69.03431	6.1
69.06724	1.7
69.07074	23.0
69.36137	7.1
69.36571	9.8
71.05008	3.1
73.64285	1.6
79.05493	16.8
80.97156	1.6
81.07062	41.7
81.62335	1.7
83.04974	3.1
83.08617	12.4
85.06534	2.8
85.39271	1.7
91.04962	2.4
91.05482	21.6
92.15351	1.5
93.07045	29.8
95.04967	6.6
95.08611	48.7
97.02870	3.1
97.06521	6.6
97.10169	5.7
99.08070	2.4
103.05471	1.6
105.07030	42.5
107.08601	44.9
109.02824	2.8
109.06504	10.5
109.10155	34.1
111.04436	2.1
111.08080	6.6
113.05981	4.7
113.09537	1.7
117.07003	9.1
119.08584	51.7
121.02841	6.1
121.06474	4.7
121.10147	39.1
123.08086	5.5
123.11697	11.1
125.09642	5.5
128.06206	2.7
129.07013	6.3
130.07765	2.2
131.08565	25.6
133.06442	1.5
133.10138	37.3
135.08083	15.5
135.11696	18.1
137.09616	3.3
137.13280	5.0
141.06985	2.4
142.07793	3.5
143.08572	15.0
144.09334	5.9
145.10115	35.7
147.08034	2.5
147.11696	22.7
149.09622	8.1
149.13235	8.2
151.11171	2.1
153.01807	6.3
155.08571	4.0
156.09338	5.7
157.06500	3.3
157.10126	26.8
158.10835	2.4
159.11691	47.8
161.09618	5.2
161.13261	14.1
163.11197	4.4
163.14827	5.4
165.01906	3.2
169.10106	4.4
170.10954	3.4
171.08047	2.0
171.11708	23.4
173.13283	28.6
175.11177	11.3
175.14787	13.2
177.12755	4.8
177.16380	3.7
179.14221	1.8
181.10187	2.3
183.11734	2.4
185.13252	17.7
187.14809	15.8
189.12822	4.0
189.16417	8.9
190.13525	4.3
197.13342	3.3
199.11160	2.3
199.14835	16.5
201.16428	11.1
203.10738	1.8
203.14372	3.6
203.18019	3.2
213.05481	4.1
213.12755	4.8
213.16382	15.8
215.18028	4.2
217.12263	3.6
217.15868	5.2
225.16362	3.7
227.14215	2.5
227.17947	16.6
228.18365	2.5
229.19461	4.2
231.13843	4.7
231.17419	5.8
241.15689	2.3
241.19438	10.4
243.21101	6.9
251.18054	2.3
259.24246	1.8
269.19016	11.4
269.22662	36.0
270.22897	2.6
287.05511	78.1
287.08807	3.7
287.12952	5.9
287.16504	19.8
287.20093	64.0
287.23700	100.0
288.05878	8.2
288.20419	5.6
288.24100	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
51.71708	1.5
53.03936	2.3
55.05513	18.0
55.60568	1.9
56.96574	3.5
57.07070	7.2
65.03941	2.6
65.32990	1.6
67.05505	23.5
69.03431	2.6
69.07066	26.6
70.89722	4.2
71.04993	12.3
71.08603	3.1
73.06558	3.0
79.05489	20.9
81.07060	61.1
82.07364	1.7
83.04986	3.2
83.08627	13.8
85.06552	3.3
91.05475	22.9
93.07048	37.4
95.04970	5.0
95.08052	2.9
95.08615	45.3
96.08959	1.6
97.02882	2.7
97.06522	4.7
97.10184	4.5
98.97575	3.2
99.08115	4.1
103.05423	2.8
105.07037	62.5
107.04980	2.9
107.07874	2.7
107.08597	53.9
109.06531	6.5
109.10155	32.6
111.04444	3.5
111.08076	2.4
113.06001	9.6
117.07037	14.3
119.08585	87.8
121.02809	2.9
121.06515	5.0
121.09309	3.3
121.10148	42.4
123.08047	3.6
123.11684	13.8
125.09641	4.8
127.11193	11.8
128.06203	1.8
129.06981	8.9
130.07820	2.4
131.08574	29.2
133.06508	4.0
133.10139	42.4
134.99638	1.8
135.08092	2.6
135.11696	18.5
137.09610	3.9
137.13240	5.2
141.07019	2.2
142.07794	7.9
143.08563	16.1
144.09341	4.0
145.10135	50.9
147.08090	2.3
147.10645	3.1
147.11700	34.0
149.09634	3.5
149.13243	13.7
151.11282	2.3
153.01839	2.7
153.12735	1.8
156.09344	5.2
157.10136	37.7
158.10782	3.7
159.08093	3.0
159.11700	73.1
160.12172	3.0
161.09573	8.6
161.13269	16.6
162.10396	3.1
163.11172	3.7
163.14857	4.9
165.01836	2.6
169.10141	3.3
170.10866	2.7
171.11702	28.7
172.12398	2.6
173.13277	32.9
174.13692	1.9
175.11183	27.4
175.14804	10.3
177.00829	1.6
177.12782	1.9
177.16347	3.5
179.10680	2.4
182.14037	1.7
183.11708	3.1
185.09692	2.1
185.13283	25.4
186.13849	2.0
187.11235	4.2
187.14832	16.3
189.09129	2.1
189.12727	7.3
189.16393	10.7
190.13550	12.9
191.10721	2.5
191.14099	2.5
193.15919	2.8
195.11728	2.3
197.13339	2.1
199.11186	2.8
199.14850	15.1
200.15546	4.8
201.12549	2.5
201.16379	34.3
203.10785	2.5
203.14383	4.2
203.18008	2.3
205.12225	4.1
213.12778	3.4
213.16393	14.5
215.17963	5.3
217.12285	6.0
217.15829	2.4
223.15042	1.8
225.16417	4.6
227.14372	2.5
227.17961	22.7
229.19539	2.1
231.13797	5.4
231.17441	2.9
241.05141	2.1
241.19534	9.2
243.21092	3.7
244.03618	3.6
245.15318	4.4
251.17966	3.9
259.24362	1.8
269.16296	2.4
269.19040	15.9
269.22626	28.5
287.05496	43.3
287.13284	2.6
287.16443	69.0
287.20050	100.0
287.23672	70.8
288.05798	2.8
288.09613	2.0
288.16855	4.3
288.20355	7.9
288.23944	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	287.2368
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03936	2.0
55.01867	2.9
55.05512	23.6
57.03438	2.8
57.07073	12.3
65.03926	1.7
67.05174	2.0
67.05505	28.3
68.05837	1.7
69.03411	4.3
69.07069	30.8
69.96471	6.1
69.96893	4.1
70.06582	4.6
71.04988	4.5
71.08611	4.9
79.05489	18.1
81.07056	55.6
82.07360	1.8
82.92342	1.6
83.04960	4.4
83.08611	21.9
85.06538	2.7
88.07632	8.9
88.08092	1.5
91.05470	18.2
93.07040	39.4
93.67355	1.4
95.04955	7.1
95.08601	60.0
96.70661	2.0
97.06512	6.2
97.10162	7.4
98.32153	2.0
99.08112	8.9
102.09203	2.5
105.07027	45.3
106.08680	5.4
107.04958	3.1
107.08595	59.5
108.08907	1.5
109.06511	7.0
109.10154	46.1
111.04442	10.2
111.08062	8.0
111.11748	3.5
113.05976	1.8
113.09573	2.0
117.07027	9.7
119.08574	69.2
121.06487	5.4
121.10138	63.0
122.10471	2.8
123.08059	9.2
123.11696	21.6
125.05990	3.5
125.09608	3.9
127.82471	1.7
128.06223	3.4
129.07010	7.5
131.08556	16.9
133.06502	2.8
133.10133	47.9
135.08037	7.1
135.11682	29.4
137.05991	2.3
137.09593	4.0
137.13257	6.5
142.07748	4.4
143.08553	15.3
144.09253	2.0
145.10109	23.8
147.08011	4.3
147.11678	27.0
149.09625	4.6
149.13248	16.3
151.07458	2.3
151.11145	3.1
153.01828	2.9
155.08638	3.1
156.09315	6.1
157.10114	25.0
158.10873	3.7
159.11685	33.6
161.09624	6.1
161.13242	20.6
163.11153	5.6
163.14822	12.5
165.09145	3.3
165.12752	1.7
167.10764	2.4
169.10139	6.3
170.10883	3.0
171.11687	26.9
172.12381	2.5
173.09586	3.8
173.11784	2.8
173.13248	32.1
174.14017	1.9
175.11150	7.7
175.14822	16.6
177.12750	7.4
177.16371	8.4
179.10664	3.7
179.14276	2.4
183.11674	4.5
185.09647	4.9
185.13257	21.4
187.11179	5.3
187.14813	25.0
189.12689	4.7
189.16364	23.7
191.10693	3.3
191.14383	4.1
195.11749	2.0
197.13354	2.5
199.11139	15.2
199.14795	13.9
201.12718	2.7
201.16382	10.0
203.10716	5.9
203.14265	2.9
203.17912	7.0
205.12257	4.9
205.15826	2.9
213.12714	9.9
213.16257	10.9
214.70047	1.7
215.18008	10.4
217.12228	13.3
217.15906	6.9
219.13786	3.2
225.16327	4.7
227.14372	3.2
227.17917	18.8
229.19548	5.1
231.13785	8.1
231.17473	3.0
241.19467	17.1
243.21013	9.0
251.18028	3.4
259.20599	3.1
259.24188	13.8
269.19025	21.9
269.22632	39.2
270.27722	2.5
287.05508	37.9
287.16565	8.0
287.20044	88.8
287.23676	100.0
288.05765	2.9
288.20291	7.5
288.23898	4.6
288.28958	48.4
306.07599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
51.97634	1.3
55.05505	7.1
55.43172	1.3
57.07058	2.9
67.05510	8.3
69.07066	15.0
69.49044	4.7
69.49466	7.7
70.48912	1.5
71.08619	1.4
75.97535	1.3
79.05476	5.0
81.07056	24.0
83.04969	1.8
83.08611	9.9
85.06518	2.8
88.07650	1.8
91.05469	5.8
93.07047	16.1
95.04974	9.0
95.08060	2.3
95.08611	31.3
97.06503	5.4
97.10144	3.9
98.20747	2.8
99.08063	3.4
105.07029	17.2
107.08593	24.6
107.49137	1.4
109.06483	2.0
109.10156	21.9
111.08089	3.4
117.07008	3.5
119.08582	31.5
119.55746	1.3
121.06483	2.6
121.10160	22.5
123.08059	1.9
123.11713	10.5
125.09552	2.7
129.07024	2.8
131.08607	9.0
133.10126	21.5
135.11708	12.6
137.13254	2.7
143.08504	3.0
144.09425	1.7
145.10120	15.5
147.11684	13.5
149.13257	7.9
151.11162	1.5
157.10103	9.4
159.11700	18.0
161.09558	2.2
161.13220	15.0
163.11214	1.5
163.14803	14.3
165.01730	1.6
171.11719	11.3
173.13258	16.4
175.14807	16.1
177.12646	2.7
177.16364	4.0
185.13304	9.4
187.14842	15.2
189.16370	13.3
190.17131	5.9
191.14328	2.3
191.17920	7.1
199.14847	9.1
200.15187	2.2
201.16428	9.8
203.14252	3.2
203.17926	2.1
205.15900	1.5
211.14809	1.6
213.16425	12.5
215.17900	3.2
217.12439	2.4
217.15887	2.2
222.53049	1.3
227.17912	8.9
229.19481	5.0
231.13782	2.0
231.17401	2.3
241.19398	3.3
243.21089	38.8
245.22543	3.9
259.24249	3.5
269.19421	2.9
269.22620	34.6
270.23013	2.0
287.05511	15.5
287.16714	2.4
287.20068	16.7
287.23636	100.0
288.23904	3.8
288.28882	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	287.2371
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
52.47641	1.1
55.05512	5.0
57.07079	1.6
67.05508	9.0
69.07070	10.9
71.04967	1.1
71.10751	1.8
71.11093	1.9
77.34315	0.8
79.05495	3.6
81.07064	14.7
81.82661	1.0
81.87476	1.0
83.08612	2.8
85.68451	0.9
91.05489	3.5
93.07045	12.1
95.04966	2.3
95.08617	22.0
97.06546	5.8
97.07069	1.0
97.10158	3.1
105.07039	10.2
107.08604	15.9
109.06502	2.0
109.10154	16.8
111.08038	1.1
111.11687	1.9
119.08593	16.8
121.10145	15.2
123.08057	1.7
123.11710	7.6
131.08549	6.2
133.10139	12.9
135.08096	1.3
135.11702	7.8
137.09558	0.9
137.13287	1.8
143.08562	3.9
145.10132	10.7
147.11685	10.3
149.13304	7.9
156.09360	2.1
157.10149	6.7
159.11697	10.5
161.09695	1.3
161.13280	7.4
163.14819	7.0
170.10985	1.4
171.11682	5.5
173.13275	12.1
175.11223	1.6
175.14799	7.6
177.12708	1.8
177.16368	3.5
185.13252	4.6
187.14812	6.8
189.16400	11.6
191.14313	6.1
191.17993	5.7
199.14842	7.2
201.16405	4.2
203.14301	3.2
203.17961	3.3
213.16394	7.5
215.17819	1.2
217.15858	2.5
227.17970	3.5
229.19507	2.3
231.17429	2.9
241.19518	1.8
243.21132	2.0
245.18951	1.5
245.22652	1.6
259.24185	7.8
269.22650	38.8
270.22955	1.9
287.20267	3.5
287.23694	100.0
288.24026	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	287.2368
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
55.05505	7.2
57.07054	3.6
67.05502	10.2
69.07062	12.2
70.20713	6.9
79.05472	5.8
81.07059	18.4
83.08607	5.8
91.05481	5.4
93.04494	1.2
93.07056	9.0
95.04939	2.4
95.08607	35.1
97.06526	13.7
97.10138	3.7
99.08096	1.7
105.07030	15.6
107.08599	21.5
109.06539	2.1
109.10152	24.5
111.11719	2.0
117.07048	3.1
119.08587	27.3
121.10145	17.7
123.08060	2.2
123.11703	10.5
125.09605	2.1
129.06943	1.5
131.08559	7.4
133.10143	17.6
135.11726	9.5
137.13298	2.5
143.08534	7.0
144.09363	1.8
145.10132	11.6
147.11690	13.3
149.13275	7.4
156.09319	1.3
157.10126	12.7
159.11696	24.3
161.09679	1.5
161.13239	14.2
163.11162	2.2
163.14798	7.2
165.52721	1.3
170.10789	1.9
171.11684	11.7
173.13235	16.1
175.14803	9.7
177.16364	2.0
183.11775	1.6
184.12480	1.7
185.13246	9.3
187.14848	8.3
189.12769	1.5
189.16371	5.1
191.14259	2.6
191.17960	8.8
199.14798	16.1
201.16402	3.6
203.14221	2.9
203.17970	7.0
213.16359	19.3
215.17909	4.4
217.15855	2.9
217.19521	1.7
227.16006	1.5
227.17900	8.6
229.19528	5.4
229.90804	1.6
241.19525	3.0
243.21034	2.7
245.18878	2.1
259.24265	4.4
267.28262	1.3
269.22638	66.2
270.23300	1.6
287.23682	100.0
288.23911	2.4
295.92288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03947	2.6
55.05503	12.1
57.03430	3.3
57.07065	4.1
67.05503	18.2
69.07062	23.7
69.49490	16.7
71.05005	4.5
71.83778	2.0
79.05478	11.2
81.07058	42.0
83.04954	2.8
83.08634	11.9
85.06523	4.3
91.05485	14.4
93.07032	27.7
95.04955	3.6
95.08598	43.3
97.06517	6.6
97.10176	2.9
99.08084	2.7
103.05454	2.5
105.07031	32.0
107.04971	3.1
107.08593	38.6
109.06496	5.2
109.10146	33.3
111.04460	4.6
111.08067	5.3
112.55118	1.9
117.06999	3.2
118.67300	2.3
119.08583	44.9
121.06491	5.2
121.10145	39.1
123.08047	4.7
123.11684	14.4
125.09602	3.8
127.11182	2.2
129.07005	3.3
130.07817	2.1
131.08560	20.8
131.10104	1.9
133.10126	34.5
135.08005	4.1
135.11702	13.5
137.09607	2.9
137.13261	4.4
142.07776	5.9
143.08534	8.1
145.10132	27.1
146.10651	1.9
147.07915	2.1
147.11684	23.8
149.09596	4.1
149.13272	10.8
150.97292	2.2
151.11160	2.4
156.09256	2.9
157.10104	18.7
159.11667	33.6
161.09605	6.0
161.13231	18.6
163.11102	3.8
163.14761	9.7
169.10069	3.3
170.10866	3.8
171.11688	20.9
172.12376	2.5
173.13271	25.1
175.11198	8.8
175.14737	9.2
177.12790	9.0
177.16399	3.8
183.11716	2.6
185.13277	14.3
186.13913	2.1
187.14809	15.4
189.12747	3.7
189.16336	7.7
191.14351	4.5
191.17909	2.8
197.13257	2.0
199.14867	11.3
201.16362	25.1
202.16521	3.0
203.17949	3.7
205.15962	2.7
213.12772	3.2
213.16347	14.2
215.17952	4.8
217.12325	2.7
217.15811	2.8
217.19374	2.4
227.14406	2.5
227.17877	12.1
229.19540	6.3
231.13762	2.9
231.17444	5.1
236.05527	2.0
241.19499	10.2
243.21063	10.7
245.19048	2.8
259.24188	6.5
269.19019	8.3
269.22617	37.2
287.05496	50.7
287.16730	2.6
287.20050	37.9
287.23651	100.0
288.05933	2.8
288.23987	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	287.2371
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
53.03946	1.4
55.01867	1.9
55.05512	12.5
57.07066	4.1
67.05503	14.7
69.03415	2.1
69.07068	20.9
69.91241	7.3
71.05013	1.7
71.08617	1.3
79.05495	10.9
81.07054	25.1
83.04984	2.5
83.08629	8.6
85.06538	2.4
91.05492	10.6
93.07048	19.8
95.04973	7.2
95.08609	39.7
97.06530	8.9
97.10152	4.7
99.08053	1.7
105.07034	23.7
107.08595	36.2
109.06509	3.3
109.10153	29.0
111.04443	3.9
111.08101	2.2
116.93128	1.3
117.07014	3.6
119.08577	34.4
121.10143	30.2
122.10511	1.6
123.08050	4.7
123.11721	9.2
125.09611	4.2
129.07013	5.7
129.22153	1.3
131.08578	11.0
133.10141	28.3
135.08076	5.3
135.11696	14.3
137.09631	3.8
137.13245	4.9
143.08539	7.6
145.10126	18.9
147.07994	2.1
147.11678	15.8
148.92101	1.5
149.09618	3.8
149.13254	9.1
151.11208	2.2
155.08525	2.0
156.09355	2.9
157.10132	12.0
158.10884	1.8
159.11697	23.5
161.09644	5.2
161.13268	14.9
163.11220	3.1
163.14830	9.1
165.12700	2.3
169.10172	2.6
170.10902	1.3
171.11662	15.7
172.12244	1.6
173.09604	1.8
173.13268	20.9
175.11206	5.1
175.14789	11.2
177.12753	5.3
177.16443	4.2
183.11638	2.1
185.13248	11.7
187.14822	12.0
188.15248	1.5
189.12752	2.6
189.16389	11.4
191.14320	2.0
191.17976	4.4
199.11162	3.0
199.14809	13.2
201.16452	4.9
203.14343	4.0
203.17975	4.6
205.15851	2.1
213.12769	1.3
213.16327	10.2
215.17970	5.0
217.12268	2.7
217.15840	4.6
217.19472	2.0
225.16405	1.8
227.17952	10.1
229.19501	2.0
231.13911	3.2
231.17505	3.0
236.68500	1.4
241.19576	7.0
243.21124	13.1
245.18861	2.4
251.77278	1.3
259.24283	8.3
269.19067	7.6
269.22653	37.8
270.22809	3.0
287.05533	15.1
287.16876	2.6
287.20102	36.7
287.23685	100.0
288.20642	2.7
288.24011	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	287.2368
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
53.03946	2.9
53.22346	1.1
55.01852	1.5
55.05519	11.9
55.48820	1.1
57.07063	6.3
58.07393	1.8
59.04977	1.2
62.06062	4.0
65.03912	1.5
65.16462	1.3
67.05499	12.0
69.03412	4.9
69.06711	1.4
69.07065	14.1
69.67515	4.6
69.67940	4.0
71.08603	2.0
79.05491	26.2
81.07053	100.0
83.04968	11.5
83.08628	8.1
85.06531	2.3
85.10219	1.3
91.05482	9.0
93.07043	15.5
95.04948	3.6
95.08601	60.1
97.06510	4.6
97.10167	3.8
98.20771	1.7
105.07033	18.1
107.04948	2.6
107.08592	26.1
107.89911	1.3
109.06513	15.8
109.10149	31.5
111.08052	6.1
117.06999	2.6
119.08568	20.8
121.06480	5.1
121.10134	32.5
123.08066	13.6
123.11696	11.4
125.09650	1.7
130.63966	1.2
131.08540	7.6
133.10121	15.4
135.08044	38.4
135.11671	13.0
137.09599	6.3
137.13223	2.4
143.08560	3.0
145.10132	12.6
147.07925	1.8
147.11674	17.8
149.09628	8.3
149.13260	5.6
151.11200	1.9
153.01842	1.5
157.10101	5.7
159.11691	9.3
161.09596	3.3
161.13255	12.6
163.11127	5.6
163.14822	10.3
165.12724	1.8
171.11717	5.7
173.13283	7.3
174.18591	1.4
175.11180	4.5
175.14822	4.0
177.12749	5.1
177.16356	13.6
185.13245	3.5
187.14828	17.4
189.12738	2.2
189.16338	4.3
191.14352	1.7
191.17892	1.6
199.11226	1.8
199.14845	3.5
201.16434	2.7
203.14424	1.8
203.18033	1.6
205.15884	37.3
206.16351	1.2
213.12794	1.9
213.16452	2.3
213.24065	2.6
215.17969	2.1
217.12202	1.4
217.15852	3.6
227.17905	3.8
230.24745	3.5
231.17567	1.3
231.25111	17.4
241.19534	3.1
243.21109	1.5
259.20660	1.4
259.24023	1.3
269.19043	4.5
269.22623	7.0
287.05478	23.5
287.16864	1.7
287.20053	19.5
287.23676	30.6
287.31360	65.8
288.20563	2.0
288.23907	2.1
288.28931	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
53.43217	1.2
55.05506	11.4
57.07073	3.6
67.05511	13.1
69.03429	1.8
69.07072	14.8
69.31143	11.1
69.31563	4.6
79.05489	8.3
80.31740	1.7
81.07053	27.9
83.04966	2.2
83.08611	9.1
91.05473	9.0
93.07047	17.7
95.04953	3.4
95.08601	41.0
97.06535	2.8
97.10164	2.7
98.21529	3.1
105.07014	17.2
107.08596	30.6
109.06512	4.3
109.10154	30.7
111.08083	3.1
117.07024	3.5
119.08578	23.7
121.06528	3.9
121.10136	31.9
123.08048	6.4
123.11711	16.5
125.09602	2.1
129.07057	1.5
131.08577	8.2
133.10135	19.5
135.08076	4.4
135.11676	9.6
137.09639	2.2
137.13258	7.4
143.08560	6.0
144.09297	1.9
145.10146	12.8
147.08052	1.5
147.11688	12.8
149.09595	5.5
149.13249	13.3
151.11194	1.6
153.01852	1.9
157.10132	8.4
159.11697	14.3
159.56369	1.4
161.09639	3.2
161.13216	11.1
163.11211	2.3
163.14821	5.1
165.09091	2.0
165.12729	3.6
169.10100	1.7
171.11684	9.8
173.13225	10.7
175.11157	3.9
175.14798	8.6
177.12660	3.0
177.16341	3.7
179.14377	2.3
185.13254	4.7
187.14825	7.0
189.12750	1.8
189.16406	6.6
190.13557	1.8
197.13255	1.5
199.14806	6.1
201.16385	3.6
203.14285	2.9
203.17941	2.1
205.15863	3.6
205.88847	1.4
206.83839	1.5
213.16373	4.4
215.17914	4.5
217.15961	4.2
227.17908	4.7
229.19557	4.2
231.17438	3.2
241.19479	3.1
243.21004	2.5
259.05734	1.5
269.19046	4.9
269.22626	17.4
287.05493	27.4
287.16498	7.8
287.20129	18.7
287.23676	100.0
288.05850	2.6
288.20779	1.8
288.24081	6.3
288.29080	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
52.55612	0.9
55.05304	0.9
55.05515	9.7
57.07058	3.3
66.50328	1.0
67.05502	10.6
69.03413	1.2
69.07062	11.0
70.81628	0.8
71.04972	0.9
71.08607	1.1
75.67985	0.8
79.05497	4.9
81.07056	25.2
83.04951	2.5
83.08614	6.1
85.06536	1.4
86.79690	0.8
89.27567	1.0
91.05502	7.1
93.07041	12.8
95.04949	2.6
95.08606	39.5
97.06527	4.5
97.10137	2.9
99.08128	1.3
105.07022	14.4
107.07861	1.5
107.08591	24.2
109.06467	2.9
109.10159	23.1
111.08065	2.9
117.07017	2.2
119.07796	1.7
119.08578	23.2
121.02852	1.9
121.06496	3.9
121.10133	24.6
123.08050	7.4
123.11700	15.2
125.09643	5.0
127.11213	0.9
129.06972	0.9
131.08559	6.4
133.10132	14.8
135.08032	3.8
135.11681	10.0
137.09576	3.3
137.13246	6.9
139.11093	1.2
140.52861	0.9
143.08528	3.7
145.10130	8.4
147.08034	1.3
147.11664	8.7
149.09633	7.8
149.13245	7.3
151.11137	2.7
151.14795	1.1
153.01755	3.1
157.10117	5.5
159.11685	11.0
161.09610	3.1
161.13255	9.5
163.11182	3.1
163.14825	7.6
165.12732	2.5
171.11685	5.9
172.12424	1.3
173.13272	9.2
175.11134	2.9
175.14822	10.1
177.12729	3.8
177.16336	4.9
179.14243	2.5
185.13261	4.5
187.14828	7.7
189.12711	2.0
189.16362	9.2
191.14317	1.9
193.15846	1.4
199.14877	6.6
201.16371	3.3
203.14284	4.1
203.17949	2.9
205.15842	1.5
213.05424	1.8
213.12846	1.0
213.16391	4.2
215.17908	3.6
217.15759	4.6
227.17955	3.1
229.19482	3.3
231.17401	3.1
241.19449	3.0
243.21126	5.5
245.22792	1.1
258.05258	1.1
259.24200	3.2
269.18958	3.1
269.22607	23.8
287.05481	38.2
287.20126	12.6
287.23651	100.0
287.31104	7.9
288.05838	2.5
288.23993	4.2
299.29352	1.0
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	ent-Trachyloban-3-one
Peak:m/z	Relative Intensity
53.03945	1.2
54.35507	1.0
55.05497	3.7
57.07059	1.7
58.95114	1.1
61.98678	1.2
67.05514	7.0
69.07060	9.5
69.11942	1.2
69.33288	9.8
79.05468	3.3
81.07062	15.5
83.08607	3.5
91.05496	3.4
93.07053	10.4
95.04968	2.7
95.08610	21.9
95.09176	2.4
97.06538	6.8
97.10136	2.8
98.21495	3.0
103.67455	1.0
105.07042	12.3
107.08598	17.2
109.06520	1.6
109.10149	19.3
111.08076	2.2
119.08575	16.8
121.06649	1.1
121.10138	12.9
123.08051	1.5
123.11693	7.4
128.71298	1.1
131.08582	6.3
133.10130	12.5
135.11662	7.6
137.13208	1.9
143.08534	3.1
144.11812	1.4
145.10104	6.7
147.11696	8.3
149.13269	6.3
157.10153	5.8
159.11711	8.4
161.09627	1.7
161.13268	9.8
163.14844	9.9
171.11688	4.6
173.13281	11.1
175.14932	7.2
177.12822	1.9
177.16428	3.7
185.13260	3.5
187.14818	4.7
189.16423	11.3
191.14317	4.2
191.18021	5.6
199.14821	5.5
201.16382	3.5
203.18002	3.0
213.16376	7.8
217.15993	2.8
227.17953	3.0
229.19510	2.6
231.17300	1.6
243.21066	5.2
245.22748	2.1
259.24222	11.4
269.19864	2.4
269.22647	31.1
270.23026	1.3
287.05585	1.9
287.23685	100.0
288.24002	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	287.2215
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
55.01861	6.0
55.05510	31.2
55.66779	2.4
57.03428	3.0
57.54451	2.1
67.05175	3.3
67.05505	44.3
68.30053	2.5
69.03422	8.9
69.07070	39.9
71.04988	8.0
71.57976	4.4
79.05490	31.0
81.03435	3.4
81.07055	71.6
81.80160	2.4
83.04983	24.6
83.08620	24.0
85.02901	8.0
85.06550	5.6
86.09715	2.5
88.01212	3.3
91.05473	17.8
93.07046	50.9
95.04961	10.7
95.08602	76.1
97.06529	11.3
97.10173	8.6
99.08121	3.4
105.07038	26.1
107.04988	2.9
107.08588	33.7
109.06545	4.4
109.10152	44.3
111.04445	16.1
111.08088	4.2
113.02383	2.9
113.05956	2.9
117.06982	6.2
119.08592	34.5
121.06509	2.8
121.10139	52.2
123.08079	6.3
123.11673	14.4
125.05995	5.7
129.07002	4.2
131.08592	17.2
133.10103	27.4
135.08109	4.0
135.11691	22.8
137.09612	5.4
137.13220	4.3
139.11168	7.1
141.01810	7.3
142.07700	3.0
143.08591	10.4
145.10115	18.0
147.11676	17.8
149.09628	6.6
149.13269	11.8
151.11212	5.2
153.01814	5.4
156.09233	3.9
157.10107	11.8
159.11694	20.2
159.77409	2.5
161.09598	12.8
161.13263	10.1
161.86990	2.5
163.14867	4.1
170.10788	3.2
171.01418	5.9
171.11743	12.6
173.13264	14.8
175.11201	7.8
175.14850	3.7
185.13269	10.4
187.11180	4.7
187.13324	3.4
187.14833	10.5
189.16422	7.7
190.13490	2.7
195.13802	2.6
199.11217	7.0
199.14906	3.2
201.16388	8.5
203.10727	3.6
203.12686	4.6
213.12816	4.6
213.16451	6.5
215.17976	10.1
217.12299	8.9
227.18011	7.4
231.13908	4.0
233.18982	23.0
241.19565	8.7
244.03322	3.1
251.20071	100.0
261.13495	3.3
269.18820	6.8
269.20889	21.9
287.05478	56.8
287.08429	5.2
287.16479	23.5
287.20050	55.2
287.23657	28.1
288.05804	4.0
288.24973	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2007
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
55.05290	1.5
55.05513	14.0
57.07070	5.2
63.32233	1.0
65.03941	1.2
67.05507	16.7
69.03418	1.5
69.07076	19.5
70.63277	2.0
70.63627	3.3
71.04986	1.8
71.08624	1.5
72.08150	2.8
76.18443	1.0
79.05492	16.4
81.07059	37.6
83.04981	2.5
83.08624	8.7
85.06538	1.7
87.59686	1.1
90.09187	2.9
91.05482	16.8
93.07047	34.5
95.05008	6.5
95.08607	41.7
97.02920	1.6
97.06514	7.3
97.10165	3.3
105.07037	38.2
107.04979	1.7
107.08595	38.5
107.09298	2.6
108.48342	1.2
109.06538	3.6
109.10160	26.3
111.04443	8.4
111.08096	2.4
111.11771	1.2
115.05470	1.8
117.07023	6.4
119.08582	40.7
120.08961	1.2
121.06521	5.1
121.09317	2.4
121.10153	31.3
123.08086	4.4
123.11712	11.1
125.06019	4.1
125.09564	1.5
128.06245	1.9
129.06990	5.1
131.08575	19.0
133.06499	2.0
133.10135	32.0
135.08069	2.3
135.11697	18.6
137.09604	2.0
137.13248	4.0
139.11272	1.1
141.06958	1.5
142.07761	2.7
143.08537	12.1
144.09340	2.4
145.10120	26.5
147.08101	2.8
147.11696	21.6
147.90172	1.4
149.09631	2.7
149.13249	10.6
151.07533	2.1
151.11284	1.5
153.09042	1.5
155.08589	4.2
156.09325	3.6
157.10138	18.1
158.10971	1.4
159.08087	2.9
159.11685	31.9
161.09637	4.8
161.13263	13.9
162.08377	1.2
163.11168	2.3
163.14885	6.0
165.09145	1.2
167.45360	1.1
169.10149	3.3
170.10971	2.4
171.08057	2.3
171.11703	18.9
172.12387	3.1
173.09651	2.7
173.13274	19.2
175.11189	4.7
175.14851	9.0
177.09120	2.9
177.16362	3.8
179.10628	3.7
183.11708	3.7
184.12566	1.5
185.09619	4.4
185.13237	18.3
187.11163	2.8
187.14807	16.4
189.09084	1.2
189.12727	2.2
189.16367	11.4
191.10719	3.1
191.17950	3.8
193.12190	1.6
195.11739	1.7
195.34393	1.2
197.13199	2.8
199.11189	4.7
199.14832	13.4
201.12811	1.5
201.16412	5.0
203.10725	3.2
203.14348	1.6
203.54196	1.2
205.12259	4.7
209.13234	1.5
213.12817	4.7
213.16397	11.6
215.17986	1.8
217.12277	7.7
217.15858	2.8
219.13777	1.5
225.16368	6.2
227.14334	3.1
227.17976	16.2
229.19603	2.7
231.13763	9.3
241.19531	19.4
243.21103	14.4
245.15417	3.1
251.17952	2.2
259.24222	1.5
269.19046	16.8
269.22650	33.2
287.05521	19.5
287.16556	6.0
287.20068	100.0
287.23666	51.4
287.31314	19.9
288.20349	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	287.2006
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
55.05502	7.8
57.07073	5.3
65.03928	2.4
67.05505	12.6
68.72451	1.8
68.99774	2.4
69.03415	4.2
69.07076	13.3
71.04969	3.5
76.54074	1.7
79.05507	11.1
79.31338	2.0
80.21440	1.9
81.03411	2.7
81.07063	20.8
83.04948	6.2
83.08617	4.1
91.05475	13.0
93.07036	15.5
95.04969	18.0
95.08615	21.2
97.06516	8.3
104.57520	2.0
105.07025	19.8
107.08601	23.5
109.06519	7.7
109.10167	11.8
111.04468	3.4
111.08028	1.9
117.06994	8.8
119.08588	26.8
121.02852	5.6
121.06485	7.7
121.10150	19.9
123.08080	4.4
123.11733	2.2
125.09560	1.8
128.06203	1.9
129.07002	5.4
131.08565	18.9
133.10144	18.0
134.10832	2.1
135.08052	2.4
135.11671	7.9
137.09564	3.8
142.07765	7.0
143.08571	15.0
143.09499	2.4
144.09305	3.5
145.10115	22.3
147.11670	7.1
149.09636	10.2
149.13237	4.0
151.11113	2.4
153.01852	6.8
155.08546	5.4
156.09380	10.2
157.10132	19.0
158.10904	7.0
159.08046	2.8
159.11703	19.8
161.09583	4.8
161.13261	6.2
165.01700	3.3
169.10118	6.4
170.10884	8.1
171.08092	1.9
171.11682	19.6
172.12502	4.7
173.13284	25.8
175.11124	3.3
175.14832	4.6
181.10121	3.5
183.11719	3.1
185.13246	19.2
186.14063	2.8
187.11176	6.8
187.14818	11.4
189.12703	8.9
189.16356	2.3
191.06958	3.7
191.14276	5.3
195.11684	7.4
197.13335	2.6
198.10422	2.6
199.11122	3.6
199.14790	6.0
201.12877	2.7
201.16397	3.3
202.51193	2.2
203.14339	6.6
209.13171	2.5
211.14865	5.7
213.05602	3.1
213.12701	15.5
213.16383	6.4
217.12251	2.3
225.16397	2.7
227.14278	5.1
227.17821	2.6
229.16084	4.8
229.50536	2.1
231.13776	10.3
241.19551	6.6
251.18074	2.5
267.43564	2.0
269.18997	35.3
269.22372	4.4
287.05487	100.0
287.13382	3.2
287.16501	8.4
287.20074	91.4
287.23578	11.3
288.05814	5.4
307.67593	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35894	1.0
55.01870	2.8
55.05516	6.0
55.54113	1.0
55.69456	0.9
56.36386	0.9
56.96329	1.2
56.96571	16.6
57.03448	1.4
57.07072	2.7
61.02905	1.4
67.05221	1.0
67.05510	12.4
69.03448	5.1
69.07072	7.2
70.73598	2.4
71.04995	1.8
71.95277	2.2
73.02882	1.2
73.16763	1.0
74.92999	1.0
79.05498	15.3
81.03420	1.6
81.07065	20.0
83.04972	2.5
83.08614	3.9
84.96010	1.2
85.02908	6.6
85.06529	2.9
91.05486	17.9
93.06471	1.6
93.07051	29.0
95.04982	6.7
95.08624	17.1
97.02901	7.0
97.06523	3.5
97.10134	1.6
98.97591	100.0
99.04433	1.3
103.05425	1.4
105.06367	0.9
105.07028	21.3
107.04959	2.5
107.08602	35.7
109.02896	1.8
109.06542	9.3
109.10165	21.5
110.97584	1.8
111.04443	8.5
111.08076	2.8
115.05494	1.6
116.98631	80.3
117.07024	8.4
119.07792	2.0
119.08596	28.6
121.02888	2.1
121.06544	7.9
121.10159	20.6
123.08079	5.9
123.11703	4.5
125.05981	1.5
127.03883	1.2
128.06223	1.3
128.98633	3.2
129.06999	4.8
130.07758	1.6
131.08560	12.4
133.06546	1.2
133.10135	19.7
134.10863	0.8
134.99670	44.1
135.08070	34.3
135.11687	6.2
137.02298	1.3
137.09598	3.6
137.13217	1.5
139.07518	2.7
140.00200	8.9
141.07005	1.4
142.07805	2.6
142.53281	1.2
143.08549	9.3
144.09335	3.3
145.10146	14.4
146.99667	4.1
147.08069	11.1
147.11707	7.0
149.09624	11.1
149.13275	2.4
151.11182	3.1
153.00684	4.6
153.01848	3.4
153.09427	1.2
155.08553	3.6
156.09415	2.2
157.10147	12.2
158.01286	5.2
158.10889	1.9
158.99670	37.3
159.08061	1.6
159.11699	17.0
161.09645	10.7
161.13292	5.1
163.11203	9.0
165.03134	1.3
165.09166	7.1
169.10144	2.8
170.10913	1.9
171.11681	10.5
173.09615	3.6
173.13257	11.6
174.03674	5.1
175.11206	5.2
175.14825	2.9
177.00725	71.7
178.01080	1.7
179.10680	3.7
181.12216	1.5
183.11763	1.8
184.12526	1.4
185.09598	3.0
185.13277	8.5
187.11157	3.7
187.14832	4.6
189.00706	2.0
189.12779	2.7
189.16389	1.5
191.14325	2.1
192.64801	1.3
195.01735	7.1
195.11658	3.5
197.13394	1.5
199.11209	2.5
199.14799	3.1
200.02333	14.8
200.07089	1.9
201.12611	1.1
201.16466	1.9
203.05908	3.8
203.14285	2.1
205.12303	1.6
209.07533	4.9
209.13242	1.6
211.14926	1.7
213.05873	1.9
213.12782	5.9
213.16344	2.2
216.09132	9.2
217.12184	2.2
217.15747	1.6
219.01779	5.8
221.06938	2.7
225.09627	4.0
225.16440	2.4
227.14275	3.1
227.17912	7.9
227.59944	2.4
229.15900	1.3
229.19609	1.1
231.09926	1.3
231.13794	4.2
236.60477	1.6
237.02869	2.8
237.09554	2.0
241.19521	4.4
246.10188	7.2
251.17982	3.1
257.60849	5.3
267.10617	15.0
267.60825	2.6
267.83328	1.4
269.19019	14.7
269.22522	3.7
276.11218	21.5
276.61325	2.7
281.06937	2.7
282.07684	2.2
287.05511	42.5
287.16492	11.5
287.20065	46.2
287.23630	7.2
287.62006	10.2
288.05762	2.8
288.12314	2.1
288.20203	1.6
297.18469	3.2
299.08005	1.7
308.13397	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2007
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
52.26252	1.1
52.69839	1.3
55.05511	9.0
56.57896	1.4
56.96557	2.0
57.07068	3.4
57.25058	1.2
63.84020	1.1
67.05508	14.6
69.03432	3.3
69.07074	12.0
71.50897	3.2
73.06551	1.5
79.05498	12.3
81.07057	18.4
83.04985	8.4
83.08613	6.9
85.06532	3.0
91.05478	12.6
93.07047	23.5
95.04968	4.0
95.08607	25.6
97.06535	2.8
97.10129	1.8
99.08090	2.0
105.07032	23.7
107.04977	2.2
107.07865	1.7
107.08599	29.6
109.06508	3.3
109.10158	27.8
110.16731	1.3
111.04449	3.4
111.08105	1.7
113.06003	5.1
113.54402	1.1
117.07008	7.0
119.08578	30.5
121.06516	3.9
121.10152	28.5
123.08083	3.1
123.11705	5.5
125.05999	2.8
128.06248	1.7
129.06998	5.6
130.07764	2.3
131.08571	16.9
133.06462	1.6
133.10135	20.4
135.07954	1.6
135.11705	12.7
137.02206	1.3
141.06940	1.5
142.07785	3.4
143.08562	11.3
144.09329	2.8
145.10123	23.7
147.08047	4.2
147.11687	13.1
149.09648	3.3
149.13245	4.9
151.07529	2.0
153.01790	2.4
154.72098	1.3
155.08601	1.9
156.09331	5.5
157.10132	20.7
158.10934	2.6
159.08049	1.9
159.11693	35.1
161.09647	5.6
161.13251	5.5
163.07503	1.6
163.11168	2.3
169.10107	2.3
171.08099	1.5
171.11716	18.6
172.12338	1.4
173.09628	2.5
173.13277	16.1
174.14030	1.4
175.04564	2.1
175.11195	11.0
175.14900	2.7
177.09174	1.6
179.10686	5.4
183.11804	2.7
185.09666	1.6
185.13257	17.2
187.11153	2.4
187.14807	10.0
187.73462	1.2
189.09180	2.2
189.12701	3.2
189.16399	5.5
190.13513	4.8
191.10692	2.8
197.13199	1.5
199.11194	5.3
199.14828	8.3
200.15552	5.0
201.12823	1.5
201.16409	3.8
203.10614	3.0
203.14307	1.3
205.12265	2.7
209.13332	1.6
213.12819	4.4
213.16356	4.2
215.17955	1.5
217.12268	6.3
219.13762	1.6
225.16441	3.4
227.14409	3.0
227.17892	22.2
227.79463	1.4
231.13852	8.3
241.19519	10.7
243.21132	3.4
245.15332	1.7
251.17932	1.9
259.20642	1.3
265.09201	3.9
269.15918	1.9
269.19022	14.8
269.22641	5.5
283.10266	10.9
287.05527	21.8
287.16455	33.4
287.20062	100.0
287.23611	14.2
288.10864	3.1
288.16748	1.7
288.20428	2.9
288.28940	2.5
306.11761	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2004
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
50.90076	1.5
51.19882	1.4
53.03938	2.1
55.05513	20.5
56.96574	3.0
57.07072	3.6
63.66690	1.2
65.03934	1.5
67.05506	16.0
69.03432	3.2
69.07070	28.9
70.41946	2.8
70.42338	5.0
70.87757	1.5
71.04984	2.2
79.05497	17.2
81.07063	28.3
83.04980	5.3
83.08618	20.2
91.05489	18.8
93.07047	29.2
95.04975	5.6
95.08604	34.5
97.06546	2.5
97.10174	4.2
105.07022	37.1
107.04964	3.4
107.08602	39.1
109.06544	5.3
109.10155	22.0
111.04456	8.6
111.08066	2.2
113.90960	1.4
115.05441	2.0
117.07034	7.8
119.08578	60.2
120.09376	4.5
121.06502	6.9
121.10141	46.5
123.08060	4.5
123.11736	10.0
125.06001	3.5
125.09656	2.2
128.06262	3.4
129.07016	8.7
130.07700	2.7
131.08588	18.6
133.06610	1.6
133.10135	42.2
135.08092	3.2
135.11691	15.9
137.05978	4.2
137.13261	2.4
138.99780	1.5
141.06996	2.4
142.07813	5.2
143.08560	17.9
144.09341	4.8
145.10106	25.2
147.08072	6.1
147.11684	12.7
149.09639	3.3
149.13278	7.5
151.07538	2.9
153.01851	2.9
155.08559	2.0
156.09357	7.8
157.10129	24.2
158.10922	3.9
159.11702	25.4
161.09624	5.0
161.13255	11.5
163.07581	2.8
163.11215	2.5
163.14915	2.7
165.01860	1.9
165.09129	6.8
167.08597	2.3
169.10173	6.5
170.10947	3.5
171.08157	2.4
171.11679	29.1
172.12434	2.0
173.09641	6.2
173.13261	23.2
175.07629	2.0
175.11209	5.3
175.14854	5.6
177.09142	3.0
177.16399	3.5
179.10675	5.6
181.10168	2.3
183.02901	1.9
183.11720	3.9
184.08894	2.7
185.09648	6.1
185.13258	17.5
187.11221	11.3
187.14833	20.7
189.12749	4.9
189.16403	20.4
191.10669	5.4
195.11707	2.4
197.13229	2.6
199.11188	24.1
199.14816	4.5
201.12773	5.7
201.16397	3.7
203.10632	7.6
203.14290	2.5
205.12259	11.6
209.13179	1.9
213.12729	10.2
213.16444	5.4
217.12251	28.0
219.13818	5.0
225.16386	8.0
227.14215	2.6
227.17906	17.6
231.13782	14.0
241.19528	14.1
243.21107	6.7
245.15533	2.7
251.18033	2.0
269.19055	31.4
269.22672	7.3
287.05560	35.8
287.16974	3.5
287.20093	100.0
287.23621	14.7
287.27173	3.1
288.05841	2.0
288.20551	4.1
288.28888	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2006
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
55.01863	1.3
55.05511	10.9
56.77542	1.2
56.96556	1.4
57.07072	4.1
67.05510	10.9
69.07073	12.8
70.24596	6.3
71.08633	1.6
79.05499	9.7
81.07064	15.5
83.04977	1.2
83.08617	7.9
86.09697	3.2
91.05473	10.4
93.07043	23.1
95.04943	3.5
95.08609	22.0
97.06504	1.7
97.10178	2.5
103.05461	1.8
104.10760	2.0
105.07029	18.4
107.04980	1.7
107.08604	25.7
109.06537	2.8
109.10164	22.4
111.04415	2.3
111.08079	2.5
111.45982	1.3
117.07016	3.9
119.08585	27.8
120.61272	1.4
120.89222	1.1
121.06483	2.5
121.10147	24.3
123.08054	4.7
123.11713	7.9
124.99995	1.8
125.05935	2.7
125.09700	1.4
128.06206	1.4
129.07004	3.8
131.08575	13.0
133.06488	1.7
133.10143	18.7
135.08047	3.9
135.11682	11.9
137.05971	1.5
137.09608	2.9
137.13235	1.8
138.52979	3.0
142.07771	3.3
143.08569	10.0
145.10120	14.4
147.08038	5.6
147.11664	7.9
149.05923	1.9
149.09668	2.6
149.13264	7.1
151.07544	3.0
155.08519	1.9
156.09314	2.9
157.10121	13.4
158.10854	2.3
159.08067	4.1
159.11732	12.3
161.09644	5.5
161.13252	5.8
163.07553	2.9
165.09120	2.7
167.08510	1.4
167.10681	2.1
169.10155	3.9
170.10820	2.3
171.08058	4.0
171.11682	16.5
173.09624	5.2
173.13234	12.5
175.07625	1.6
175.11176	3.0
175.14835	6.7
177.09180	3.6
177.16426	2.1
179.10677	3.9
183.11668	2.6
184.07408	2.5
184.08902	1.6
185.09608	5.5
185.13260	13.2
187.11189	3.9
187.14767	9.9
189.09167	2.0
189.16428	3.0
191.10675	3.7
193.12253	1.8
195.11694	2.1
197.09869	1.4
199.11215	10.1
199.14825	6.1
201.12767	1.7
201.16385	4.0
203.10683	5.2
205.12256	5.0
209.13260	1.7
213.12718	9.2
213.16377	3.1
217.12292	9.6
219.13885	1.5
225.16312	2.0
227.14301	3.8
227.17932	13.0
228.18533	1.4
231.13841	6.9
231.25064	2.3
240.09952	2.5
241.19501	20.4
243.21078	5.2
245.15266	2.0
251.18033	4.2
254.16353	1.7
256.00363	1.5
259.20496	1.8
269.19049	43.4
269.22522	5.1
286.62756	2.8
287.05533	21.7
287.20078	100.0
287.23575	10.5
287.31311	14.8
288.20413	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	287.2005
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
50.57836	1.6
51.65192	1.7
53.03936	2.6
54.35815	1.4
55.05508	18.5
56.96552	3.6
57.07064	7.2
65.03899	2.6
67.05505	17.6
69.03413	2.0
69.06722	2.2
69.07066	27.4
70.06567	2.8
70.32827	5.9
71.04996	2.1
71.08622	2.8
76.67208	1.6
79.05484	13.7
81.07050	25.6
83.04965	5.1
83.08621	15.2
85.06505	1.8
88.07619	4.0
91.05466	21.4
93.07040	28.2
95.04945	6.1
95.08051	2.9
95.08608	33.4
97.02888	2.1
97.06545	4.2
97.10172	4.0
99.08050	2.1
105.07026	32.2
106.08621	3.5
107.04993	3.9
107.08586	41.8
109.06510	4.2
109.10146	27.8
111.04439	9.7
111.08056	2.1
117.07005	8.2
119.08578	62.7
120.09419	1.7
121.02805	2.0
121.06466	4.0
121.09326	2.4
121.10143	43.3
123.08017	2.7
123.11682	8.4
125.05978	4.2
128.06241	2.8
129.06985	7.2
131.08577	18.3
133.10130	41.2
135.08026	2.5
135.11674	20.4
137.06039	2.9
137.09628	2.7
139.07460	2.2
141.06995	2.3
142.07764	4.6
143.08563	15.1
144.09352	2.0
145.10117	27.5
147.08032	4.4
147.11681	18.3
148.22690	1.7
149.09590	3.4
149.13274	7.7
151.07469	1.9
153.01837	2.4
155.08533	2.7
156.09312	7.3
157.10114	23.2
158.10779	2.4
159.11684	24.6
161.09642	6.9
161.13258	12.0
163.07451	2.7
163.14836	3.8
164.47308	2.0
165.09111	7.2
169.10139	11.9
170.10861	3.4
171.07951	3.1
171.11691	27.7
172.12355	2.5
173.09583	4.6
173.13251	26.7
175.11122	2.8
175.14830	7.5
177.08997	2.1
177.12689	1.7
177.16389	5.0
179.10657	5.9
183.11702	2.6
184.12526	1.7
185.09587	3.6
185.13281	17.2
187.11206	10.3
187.14803	23.9
189.16368	18.6
191.10616	2.1
195.11665	3.3
197.13278	2.3
199.11179	18.9
199.14777	7.8
201.12701	4.7
201.16354	6.9
203.10701	7.6
204.31786	1.5
205.12219	10.4
213.05492	2.4
213.12706	6.7
213.16328	5.6
215.17903	2.1
217.12254	24.9
217.15558	1.6
219.13805	6.2
225.16284	9.1
227.14273	4.6
227.17943	20.1
229.19569	2.0
231.13791	7.5
231.17343	2.1
241.19511	15.6
243.21062	11.7
245.15355	2.5
247.88200	1.6
251.17877	3.8
259.24149	2.2
269.18967	26.4
269.22559	16.9
287.05490	47.3
287.16522	8.6
287.20020	100.0
287.23642	33.3
287.27036	2.3
288.05930	2.5
288.20322	2.5
288.28918	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	287.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
55.01870	5.7
55.05532	17.0
56.96567	3.2
57.03432	12.2
57.07078	6.9
59.05003	7.3
61.02927	14.5
67.05165	4.2
67.05507	42.6
69.03440	36.6
69.07076	37.8
71.04984	8.0
71.11867	5.2
74.05700	3.2
77.88918	3.4
79.05488	40.6
81.03426	10.6
81.06576	6.4
81.07058	90.6
83.04981	14.7
83.08617	10.0
85.02927	16.3
85.06536	20.2
87.04469	19.5
91.03946	7.6
91.05485	34.3
93.07045	70.3
95.04965	16.0
95.08611	71.2
97.02898	26.8
97.06538	11.3
97.10193	6.0
98.97599	9.3
99.04475	5.2
105.07041	62.2
107.04949	5.6
107.08590	63.5
109.02851	3.4
109.06509	13.0
109.10165	41.5
111.04424	10.3
111.08073	11.0
111.11742	4.7
115.03933	11.7
116.98618	7.5
117.07027	17.2
117.07765	3.4
119.08578	59.8
119.57060	3.3
121.02863	5.2
121.06490	9.9
121.10156	45.9
123.04406	4.1
123.08073	11.4
123.11717	37.2
125.05974	5.3
125.09644	6.2
128.06271	3.5
129.05490	4.4
129.07027	9.9
131.08580	30.0
133.04976	17.4
133.06461	4.4
133.10143	33.9
134.99608	4.7
135.08054	9.9
135.11693	44.1
137.06004	5.6
137.09595	6.1
137.13281	9.3
139.11171	8.9
142.07785	7.1
143.08589	12.2
144.09322	3.7
145.10132	32.2
147.08076	8.2
147.11703	26.5
149.09644	13.0
149.13263	24.9
151.07527	6.0
153.01836	10.8
153.11659	3.4
153.12712	19.3
156.09358	6.5
157.10133	14.9
159.06544	3.4
159.11690	29.5
161.09648	13.1
161.13284	26.1
163.11185	7.7
163.14911	5.5
165.09221	4.4
165.12773	14.7
167.14308	5.6
169.10097	7.4
171.11737	18.3
173.09630	5.3
173.13297	21.4
175.11220	7.3
175.14896	10.2
177.12804	10.7
177.16347	4.7
179.14314	10.8
181.08557	4.2
185.13269	14.4
187.14836	14.1
189.12732	5.8
189.16411	6.5
191.07042	6.3
191.10509	3.9
191.14378	5.2
193.15938	4.8
195.13835	7.2
197.13345	4.3
197.15451	5.1
199.11179	5.8
199.14821	4.7
201.16479	7.3
203.14317	18.2
213.16446	4.5
214.86153	3.2
215.14389	11.9
217.12317	4.9
221.15384	19.9
231.06578	3.5
233.15347	28.8
239.16467	13.3
243.20906	4.4
251.16405	47.4
252.65248	3.8
267.91299	3.5
269.17587	15.8
269.22849	9.9
287.05539	100.0
287.12958	6.0
287.16330	16.2
287.18744	16.4
287.19943	18.2
287.23706	41.8
288.05850	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	287.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.7
55.05508	21.0
56.96545	3.7
57.03421	5.5
57.07061	9.4
59.04973	3.3
59.22283	2.2
60.49143	2.1
61.02914	12.3
65.03924	4.3
67.05497	29.2
69.03426	16.7
69.07063	44.8
71.04985	18.4
71.59696	4.6
72.08132	6.6
79.05495	23.3
81.03401	4.4
81.07056	100.0
83.04980	38.0
83.08607	10.3
85.02893	7.7
85.06548	6.0
87.04449	7.5
91.03973	15.4
91.05469	24.5
93.07036	56.8
95.04964	19.1
95.08604	67.1
96.44324	2.5
97.02863	10.9
97.06496	9.7
97.10110	3.4
98.97559	6.8
99.04425	4.6
99.08083	14.9
103.05482	2.4
105.07019	68.1
107.08589	60.8
109.02866	2.8
109.06525	15.6
109.10150	40.3
111.04414	6.9
111.08074	12.2
111.11716	8.2
115.03889	6.7
115.05459	2.6
117.06979	9.2
119.08578	86.5
121.06489	8.2
121.09312	4.3
121.10139	61.0
123.08075	9.0
123.11704	48.9
125.05975	5.6
125.09598	5.7
127.03911	2.9
127.07565	3.2
127.11176	9.4
128.06241	3.1
129.05469	5.3
129.06960	8.2
131.08571	22.5
133.04910	3.3
133.10121	32.4
134.99622	2.9
135.08032	9.4
135.11668	34.3
137.05946	9.5
137.09625	4.0
137.13240	8.8
139.07486	5.4
139.11107	4.8
142.07761	7.5
143.08519	9.6
145.06470	3.4
145.10101	50.4
147.06511	11.1
147.08025	7.0
147.11682	44.9
149.09631	5.8
149.13232	28.5
151.11111	4.9
151.14790	3.4
153.01802	9.4
155.07079	4.0
155.08513	3.7
157.10114	23.0
159.11685	33.5
160.12283	2.7
161.09639	6.3
161.13229	26.7
163.03952	3.3
163.11134	8.0
163.14793	8.1
165.01740	4.3
165.09009	3.3
165.12749	8.8
168.08083	2.9
170.10915	2.7
171.07875	2.7
171.11687	15.7
173.08099	87.5
173.13246	22.7
175.09775	2.6
175.11180	9.0
175.14815	13.5
177.00685	2.6
177.09090	5.3
177.12695	6.6
179.14268	19.4
184.13281	7.3
185.13234	21.8
187.14781	19.6
189.12694	3.1
189.16385	8.1
191.14297	4.3
193.12265	5.4
193.15829	4.3
195.10063	2.8
195.13708	3.6
197.13266	5.1
199.11148	3.4
199.14766	9.1
201.16379	54.6
203.14259	5.9
205.15865	6.7
213.16400	14.9
215.14288	12.7
215.17886	4.5
221.15353	9.3
227.17865	7.1
228.13829	4.4
231.17450	5.8
233.15359	29.8
239.16324	4.2
243.21033	3.8
244.03551	7.9
251.16342	33.6
254.56046	2.7
257.17569	3.2
269.17563	10.5
269.22562	27.2
270.14847	19.8
287.05453	91.7
287.13376	4.7
287.18372	60.0
287.23468	73.6
288.05728	5.0
288.09637	3.8
288.23737	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
54.62348	1.2
55.01860	2.1
55.05513	6.8
55.05722	1.2
56.96557	1.6
57.03423	4.3
57.07072	2.5
59.04975	2.2
61.02916	3.4
67.05509	9.1
68.99787	2.2
69.03143	1.1
69.03443	13.2
69.07070	12.7
71.04993	2.1
71.61078	2.9
74.85619	1.3
79.05493	11.4
81.03413	1.7
81.07062	44.8
83.04964	5.1
83.08618	3.1
85.02917	7.7
85.06068	2.0
85.06543	23.7
87.04480	8.6
89.03862	2.4
91.05482	9.8
93.07047	21.3
95.04946	4.9
95.08613	21.4
97.02905	8.9
97.06514	6.1
98.97621	1.5
99.04457	1.4
99.08105	2.4
102.79308	1.4
105.03400	1.6
105.07023	14.3
107.04933	2.3
107.08592	18.2
109.02880	1.5
109.06521	5.1
109.10152	10.3
111.04365	1.4
111.08106	7.0
111.11794	1.5
111.17313	1.3
111.63578	1.3
113.06019	1.3
114.77577	1.3
115.03911	5.2
117.03358	1.5
117.07009	4.0
119.08588	13.9
121.02846	5.3
121.06500	5.0
121.10149	11.0
123.08053	4.7
123.11713	7.4
125.09628	3.1
127.03912	3.1
128.06204	1.8
129.06970	3.4
131.08539	7.8
133.02847	3.7
133.04970	5.3
133.10103	7.6
134.03639	2.8
135.04367	2.0
135.08054	3.0
135.11011	1.1
135.11725	12.2
136.93094	3.4
137.05960	1.8
137.09592	3.0
137.13252	3.9
139.11131	1.7
141.06935	1.7
141.09094	1.4
142.40031	1.3
143.08586	2.1
145.02777	2.0
145.10095	4.6
147.04420	1.8
147.08067	3.2
147.11707	6.7
149.09605	2.8
149.13239	5.6
151.11183	2.1
153.01782	7.0
153.09113	2.6
153.12735	10.0
154.94165	6.6
155.08533	1.4
155.14331	7.0
157.06491	1.3
157.10153	3.0
159.08073	1.5
159.11699	6.0
161.09651	2.0
161.13240	7.0
163.03911	4.8
163.11177	1.6
165.01820	4.7
165.09192	1.5
165.12740	5.7
171.04382	1.9
171.11719	3.3
172.95222	15.5
173.13254	4.5
175.11243	2.4
175.14861	2.0
177.12721	4.6
179.14297	4.9
183.02904	1.6
185.13274	3.3
187.03918	4.2
187.14822	3.8
189.11169	1.9
189.12767	1.6
190.96260	9.4
193.12311	1.8
195.13737	3.3
197.13261	1.7
201.16354	2.0
203.14287	4.1
205.15677	1.6
206.10631	1.7
213.05482	3.5
215.14330	3.8
221.15457	6.6
223.00380	6.5
233.15390	9.4
239.16461	3.6
241.01488	25.8
241.04189	2.1
241.04965	2.6
244.03621	1.9
245.04492	3.3
251.16371	14.3
258.05310	2.3
259.02658	4.1
259.05862	1.8
264.03091	3.1
269.17462	6.4
269.22809	1.5
287.05499	100.0
287.18246	6.6
287.23706	5.7
288.05881	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	287.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
54.81768	2.1
55.01859	7.4
55.05502	17.7
57.03422	5.8
57.07054	9.0
61.02921	13.5
67.05499	29.8
69.03436	18.0
69.07063	49.1
70.03954	9.9
71.04967	9.7
71.49186	2.1
73.02875	2.9
73.06517	2.1
76.44302	2.1
79.05488	18.3
81.03399	4.0
81.06580	4.9
81.07052	94.8
83.04980	48.3
83.08600	13.2
85.02890	10.8
85.06523	6.4
87.04447	10.2
91.03941	20.6
91.05473	28.1
93.07035	55.8
95.04954	21.8
95.08598	63.6
97.02856	11.9
97.06512	7.6
97.10131	5.0
98.20809	2.6
99.04443	6.8
99.08073	10.1
103.05455	3.4
105.03339	2.5
105.07027	58.3
107.04966	3.6
107.08589	55.4
109.06525	15.3
109.10149	38.8
111.04427	8.3
111.08074	13.3
111.11705	7.7
115.03904	9.7
117.07003	9.3
119.08573	59.7
121.02817	6.5
121.06493	7.5
121.09308	4.7
121.10132	63.5
123.08051	10.0
123.11695	42.2
125.05930	3.7
125.09612	4.2
127.07592	3.1
129.05502	4.6
129.06998	6.9
131.08539	22.8
133.10135	34.6
135.08031	5.2
135.11679	41.0
137.05983	14.9
137.09634	5.2
137.13246	8.2
139.07512	3.8
139.11174	5.1
141.07082	2.3
142.07780	3.9
143.08525	12.5
144.09352	3.2
145.10109	36.8
147.06496	10.3
147.08038	8.0
147.11694	27.6
149.09627	5.2
149.13249	24.9
151.11205	5.5
153.01807	5.5
155.07034	6.1
155.08504	4.1
156.09366	2.8
157.10123	18.7
159.08084	3.6
159.11678	36.2
161.09622	8.1
161.13275	23.6
163.03940	3.0
163.11139	6.8
163.14771	4.9
165.01797	3.8
165.09134	6.6
165.12720	7.0
170.10973	3.1
171.11719	12.6
173.08098	73.7
173.09557	5.7
173.13220	19.5
175.01547	6.5
175.09642	2.9
175.11142	5.7
175.14819	14.2
177.09045	7.0
177.12614	3.7
177.16350	5.7
179.14290	18.9
181.10187	2.4
185.13283	17.4
187.11172	3.4
187.14827	18.5
189.12733	4.0
189.16357	10.7
191.10474	3.6
191.14247	6.6
193.15871	2.6
197.13271	6.8
197.15359	2.5
199.11154	3.5
199.14819	9.8
201.16376	23.1
203.14264	9.5
205.15865	5.7
213.05447	4.0
213.12758	4.4
213.16348	11.3
215.14359	15.6
217.12204	3.1
221.15379	14.7
223.14648	2.6
227.17966	9.0
229.19479	4.7
231.07928	2.6
231.13628	4.2
233.15392	30.2
239.16420	4.5
241.19469	8.7
243.21065	3.5
244.03728	3.7
251.16351	33.7
252.16774	2.6
257.17545	4.1
269.17572	9.3
269.22552	23.4
287.05484	100.0
287.08835	5.2
287.12357	6.8
287.18710	58.8
287.23682	57.5
288.05856	6.5
288.10059	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	287.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.3
53.03945	2.0
53.98917	1.2
55.01873	6.8
55.05505	7.2
56.96556	3.3
57.03444	1.7
65.03931	1.6
67.05503	33.6
68.99798	1.8
69.03423	9.6
69.07051	5.9
70.06591	2.0
70.78738	1.3
71.04993	77.1
71.58023	2.5
72.08156	3.0
73.02909	3.4
79.05054	2.5
79.05495	30.9
81.03417	6.1
81.07052	11.4
83.04994	13.0
83.08650	1.6
85.02898	2.5
85.06532	1.4
86.09703	5.6
87.04465	8.6
91.05480	100.0
92.05787	1.3
93.07042	30.3
94.07402	1.4
95.04959	8.7
95.08606	14.1
97.02892	4.9
97.06553	7.0
98.69730	1.4
98.97586	2.4
99.04465	5.2
103.05476	2.7
105.07020	16.3
107.04965	6.8
107.08603	12.9
109.06516	3.8
109.10172	14.1
111.04443	5.3
111.08125	2.1
115.03931	3.7
115.05463	1.8
116.98617	3.2
117.07025	9.4
119.04925	1.8
119.08579	92.4
119.36773	1.2
121.02879	2.7
121.06487	6.2
121.10136	8.1
123.04456	2.6
123.08069	7.9
125.09553	2.0
127.03926	2.2
128.06197	1.2
128.07079	2.1
129.07040	6.1
131.08534	3.2
132.05754	3.2
133.02866	1.6
133.10115	3.6
134.19421	1.5
134.99744	1.9
135.08051	3.9
135.11679	2.0
137.09605	21.7
145.06419	1.5
145.10098	2.3
147.08038	34.8
147.11668	1.3
149.09627	1.9
153.01837	3.5
153.09131	3.4
155.10677	7.5
157.10173	3.2
159.11702	2.1
163.07515	2.7
165.09113	42.3
167.07071	2.1
171.11671	1.7
173.11456	1.2
173.13286	1.9
183.10176	6.1
187.14841	2.4
187.64456	1.5
199.14847	1.5
213.05530	2.0
217.15959	2.2
219.01695	1.6
227.10574	2.2
227.17993	1.4
255.10263	2.3
269.22681	3.0
287.05533	48.1
287.10193	3.8
287.20023	5.4
287.23740	7.3
288.05872	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.1
56.96564	4.6
57.03437	0.7
57.07095	0.6
59.12540	0.7
61.02925	1.1
63.00056	0.6
66.73049	0.5
67.05514	1.3
69.03426	2.4
69.07069	1.1
70.06596	7.4
70.83743	1.9
71.06925	2.9
72.08153	1.0
79.05500	0.9
81.03394	0.7
81.07016	1.0
83.04971	1.0
84.08154	1.5
85.02901	4.9
86.09703	0.9
87.04485	0.9
91.05463	1.6
93.07008	1.3
95.08610	2.2
97.02876	2.1
97.06523	1.4
98.97572	2.3
101.02395	0.7
105.07036	1.0
107.04973	1.0
107.08583	1.3
109.02908	1.0
109.10149	1.3
111.04432	1.1
112.07608	4.5
113.07952	3.0
116.07101	0.8
116.98615	1.9
116.99479	0.7
119.01913	1.7
119.04920	1.8
119.08576	0.8
121.06506	1.2
122.70728	0.6
125.07077	0.8
127.03928	4.2
128.98553	0.7
133.10086	1.4
133.61311	0.6
134.99689	1.0
140.07040	1.9
141.07397	2.5
143.00174	0.9
143.01900	1.8
143.03421	0.6
145.10063	0.8
147.04425	4.8
147.11626	0.8
150.36192	0.6
157.10127	1.1
158.01207	0.6
159.11702	1.0
161.01274	1.5
161.02959	7.0
162.45787	0.7
165.00748	0.7
173.13350	0.8
175.14935	0.7
177.00639	1.7
186.04341	0.6
189.00629	1.1
193.11034	0.7
197.04012	0.8
201.00771	1.5
203.03986	1.3
204.05450	1.8
219.01834	0.7
221.05066	0.9
223.01320	0.8
227.43945	0.7
237.02858	1.6
237.82716	0.7
246.06505	0.7
269.22464	1.3
287.05634	3.6
287.11029	100.0
287.19888	1.8
287.23688	4.1
288.11313	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Cyanidin
Peak:m/z	Relative Intensity
52.96025	0.3
55.05510	0.9
59.65469	0.3
67.05494	1.1
68.99780	0.7
69.03409	0.5
69.07066	1.0
71.58842	0.5
74.73113	0.2
78.81373	0.3
79.05495	1.5
79.10537	0.3
81.07056	3.3
82.51402	0.3
83.04988	0.7
83.08601	0.4
91.05464	0.7
93.07042	2.1
95.04942	0.4
95.08608	1.8
103.05443	0.5
105.03377	0.8
105.07037	2.5
107.04958	0.9
107.08590	2.6
109.02889	0.5
109.06510	0.3
109.10181	2.3
111.00786	1.4
111.04433	0.5
117.06994	0.3
119.08587	2.2
121.02869	4.6
121.10146	2.1
123.11706	0.7
131.08592	0.6
133.02853	1.0
133.10150	1.7
135.04376	0.4
135.11696	0.8
137.02353	1.5
143.08534	0.4
145.06464	0.6
145.10132	1.6
147.04390	1.1
147.11676	1.2
149.13219	0.8
153.01831	7.6
157.06508	1.0
157.10107	1.0
159.11708	1.3
161.05995	0.3
161.13278	0.9
163.07440	0.3
165.01840	2.2
171.04451	0.5
171.11685	0.7
173.13322	0.8
175.14845	0.5
183.02876	1.3
185.05960	0.5
185.13268	0.6
187.14877	0.6
189.05469	0.4
189.16350	0.5
189.65881	0.3
196.66908	0.3
197.05917	0.4
201.16318	1.3
203.07092	0.3
213.05525	2.1
213.16377	0.6
215.17961	0.3
217.11961	0.4
227.17995	0.6
231.06564	1.2
231.13739	0.5
241.05017	1.2
241.19485	0.6
243.02754	0.4
244.03670	0.4
245.04428	0.4
258.05173	1.6
259.05991	1.0
269.04410	0.4
269.19003	0.4
269.22583	1.3
287.05502	100.0
287.20001	2.4
287.23639	2.9
288.05814	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.40787	0.1
51.52511	0.1
53.03946	0.2
54.83815	0.1
55.01867	0.2
55.05495	0.3
57.07082	0.1
63.33112	0.1
63.93922	0.1
65.03928	0.4
67.01844	0.3
67.05500	0.4
68.99440	0.1
68.99791	1.8
69.03424	0.2
69.07049	0.4
69.41539	0.3
69.41964	0.7
70.71055	0.1
71.01348	0.1
71.04987	0.4
71.87966	0.1
77.07887	0.1
79.05497	0.9
81.03404	0.3
81.07051	1.0
83.08623	0.1
91.05486	0.6
91.19452	0.1
93.07037	0.8
95.04970	0.6
95.08616	0.9
97.02908	0.2
97.06509	0.2
98.21529	0.2
98.97583	0.1
103.05481	0.2
105.03374	0.9
105.07034	1.6
107.04956	0.9
107.08596	1.0
109.02882	0.6
109.10168	0.6
111.00804	1.3
111.04461	0.5
115.05441	0.2
117.07022	0.3
119.08578	1.4
121.02867	6.0
121.06481	0.1
121.10149	0.8
122.03226	0.1
123.11704	0.4
127.03938	0.2
127.11178	0.2
128.06242	0.1
129.07011	0.6
131.08603	0.5
133.02859	0.7
133.10118	0.9
135.04425	0.3
135.11667	0.4
137.02336	1.9
141.06976	0.2
141.12764	0.2
143.08563	0.3
145.06529	0.6
145.10104	1.0
147.04404	1.2
147.11707	1.3
149.13203	0.2
153.01830	9.4
154.02090	0.1
157.06476	1.2
157.10141	0.8
159.11694	1.1
161.05984	0.3
161.13301	0.7
163.11180	0.1
163.14806	0.1
164.58900	0.1
165.01836	3.5
169.06555	0.2
171.02968	0.2
171.04388	0.7
171.11713	0.4
173.13219	0.6
175.03870	0.1
175.11311	0.1
175.14891	0.2
179.03424	0.1
183.02895	1.6
185.05981	1.1
185.13272	0.3
187.14796	0.2
189.05490	0.3
189.16364	0.3
191.14322	0.1
197.06087	0.2
199.03978	0.3
199.14783	0.2
201.16362	0.7
203.07066	0.2
213.05461	3.1
213.07440	0.2
213.16402	0.4
214.05832	0.1
215.17899	0.1
216.04271	0.1
227.17967	0.2
229.04958	0.4
229.19405	0.1
231.06502	1.3
241.04965	1.8
241.19473	0.1
243.06323	0.1
245.04445	0.1
258.05243	2.5
259.06046	0.8
269.04422	0.5
269.22672	0.8
286.04538	0.1
287.05493	100.0
287.20020	1.0
287.23669	2.8
288.05814	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	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01859	0.3
55.05509	0.9
56.16585	0.2
56.96560	0.3
65.03938	0.5
66.75681	0.2
67.05480	0.8
68.99791	1.5
69.03425	0.4
69.07074	1.0
70.06565	0.2
71.04971	0.3
71.23965	0.3
71.24305	0.4
72.08146	0.6
79.05489	1.2
81.03407	0.4
81.07061	1.8
83.04980	0.2
83.08616	0.5
85.02908	0.2
86.09711	0.3
91.05484	1.0
93.07036	1.6
95.04955	0.6
95.08608	1.2
97.06502	0.2
98.97558	0.2
99.04506	0.2
105.03391	0.7
105.07063	1.3
107.04951	1.0
107.08587	2.0
109.02854	0.7
109.06511	0.3
109.10149	1.1
111.00820	1.4
111.04427	0.8
115.05405	0.3
117.07029	0.5
119.08596	2.1
121.02868	5.3
121.06498	0.6
121.10147	1.4
123.08080	0.3
123.11710	0.6
127.03913	0.4
129.06987	0.6
131.04893	0.3
131.08560	0.7
133.02884	0.9
133.06483	0.2
133.10130	1.3
135.04410	0.6
135.08067	0.4
135.11681	1.5
136.07576	0.4
137.02328	1.9
141.06964	0.4
143.08525	0.6
145.06494	0.6
145.10153	1.0
147.04434	1.0
147.08051	0.4
147.11673	0.6
149.05960	0.2
149.13297	0.3
151.07486	0.2
153.01830	8.1
156.09357	0.3
157.06490	1.4
157.10149	0.8
159.11684	0.8
161.05951	0.4
161.09677	0.4
161.13219	0.4
163.03931	0.4
164.07050	0.4
165.01859	2.8
165.09120	0.2
171.04391	0.5
171.11642	1.0
173.09520	0.2
173.11925	0.2
173.13283	0.9
175.07529	0.2
179.10747	0.3
183.02901	1.4
185.06012	0.8
185.09633	0.3
185.13231	0.5
187.11246	0.4
187.14821	0.7
189.05516	0.3
189.16383	0.6
191.10670	0.2
199.11214	0.6
199.14774	0.3
203.07127	0.2
203.10658	0.2
205.12257	0.3
213.05498	2.3
213.12721	0.4
217.04930	0.3
217.12198	0.7
227.17943	0.6
229.04837	0.3
229.19492	0.2
231.06525	1.3
231.13878	0.3
241.04926	1.5
241.19539	0.3
243.20963	0.2
258.05307	1.9
259.05975	0.7
269.04443	0.4
269.15192	0.2
269.19006	0.9
269.22610	0.3
287.05496	100.0
287.20029	4.4
287.23663	1.2
288.05811	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
52.90499	0.1
53.03954	0.1
53.14850	0.1
55.01860	0.3
55.05494	0.1
56.96555	0.1
57.07094	0.1
59.55870	0.1
62.86791	0.1
63.03330	0.1
64.66267	0.1
65.03927	0.3
67.01860	0.2
67.05492	0.3
68.71515	0.1
68.99435	0.1
68.99789	1.6
69.00164	0.1
69.03416	0.3
69.07053	0.3
69.74965	0.3
69.75395	0.2
71.01331	0.1
71.04995	0.2
72.08164	0.1
74.09708	0.1
79.05492	0.8
81.03431	0.3
81.07076	0.4
83.04984	0.1
83.08582	0.1
85.02917	0.1
85.06518	0.1
86.09696	0.1
91.05460	0.4
91.35532	0.1
93.07057	0.4
94.04185	0.1
95.04988	0.5
95.08598	0.4
97.02877	0.3
97.06524	0.2
99.04472	0.1
103.05451	0.2
105.03378	0.8
105.07052	0.4
107.04949	1.2
107.08572	0.4
109.02879	0.6
109.06506	0.1
109.10160	0.1
111.00813	1.4
111.04451	0.5
115.05451	0.2
117.07016	0.2
119.04948	0.2
119.08575	0.3
121.02871	6.5
121.03899	0.2
121.06467	0.4
121.10140	0.3
123.04417	0.1
123.11654	0.1
125.02378	0.1
125.09605	0.1
127.03932	0.5
128.06239	0.2
129.07033	0.4
131.04897	0.1
131.08597	0.2
133.02847	1.0
133.06433	0.1
133.10118	0.2
134.99686	0.1
135.04393	0.4
137.02342	1.9
137.06050	0.1
141.06985	0.2
143.08553	0.1
145.06520	0.5
145.10052	0.2
147.04422	1.3
149.02296	0.1
151.03822	0.2
153.01831	9.2
157.06485	1.3
159.08078	0.1
159.11678	0.2
160.05302	0.1
161.06006	0.4
162.05495	0.2
163.03885	0.1
163.11246	0.1
165.01837	3.2
166.02647	0.1
169.06406	0.2
171.02905	0.2
171.04410	0.6
173.05989	0.1
173.13335	0.1
175.03883	0.1
175.07587	0.2
183.02895	1.6
185.05971	1.1
189.05481	0.3
194.02071	0.1
197.06015	0.3
199.03871	0.2
201.05511	0.1
203.03424	0.1
203.06987	0.4
204.37654	0.1
212.04674	0.1
213.05479	2.9
213.16360	0.1
216.04242	0.1
217.05023	0.1
223.03883	0.1
226.07426	0.1
229.04863	0.4
230.05516	0.1
231.06506	1.2
241.04936	1.4
241.09785	0.2
242.05573	0.1
243.06444	0.2
245.04413	0.1
250.32487	0.1
257.04483	0.1
258.05258	2.2
259.06042	0.9
269.04440	0.5
269.12756	0.1
269.18924	0.1
269.22632	0.1
286.04501	0.2
287.05502	100.0
288.05835	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.1
53.03931	0.1
54.39943	0.1
63.11345	0.1
65.03930	0.3
67.01857	0.4
67.05474	0.1
68.99786	1.8
69.03414	0.2
71.32813	0.1
71.33131	0.1
79.05483	0.5
81.03410	0.2
91.05494	0.1
95.04957	0.3
97.02843	0.1
100.41314	0.1
103.05473	0.2
105.03387	0.8
107.04945	0.9
107.08623	0.1
109.02885	0.6
111.00800	1.3
111.04439	0.4
115.05434	0.2
117.07001	0.1
119.04932	0.2
121.02866	5.2
121.03831	0.2
121.06514	0.1
123.34730	0.1
124.68056	0.1
127.03905	0.2
129.07005	0.3
133.02853	0.8
135.04396	0.4
135.07994	0.1
136.93073	0.2
137.01332	0.2
137.02338	1.8
141.06987	0.3
145.06477	0.4
147.04391	1.3
147.05501	0.1
153.01826	8.8
154.02121	0.1
154.94173	0.3
157.06483	1.1
161.05986	0.4
165.01839	3.0
166.02417	0.1
169.06531	0.1
171.02953	0.2
171.04399	0.6
172.95221	0.7
175.03975	0.2
175.07602	0.1
183.02896	1.7
185.05974	1.1
189.05406	0.2
190.96265	0.3
191.03410	0.1
194.02161	0.1
195.04294	0.1
197.05934	0.3
199.03880	0.1
201.05554	0.1
202.63260	0.1
203.03432	0.2
203.07059	0.3
213.05461	2.8
213.07440	0.2
214.05946	0.1
217.04947	0.1
223.00462	0.2
229.04919	0.3
231.06509	1.2
241.01474	1.3
241.04951	1.3
243.06506	0.2
245.04361	0.1
258.05237	2.1
259.03116	0.1
259.05966	0.8
269.04443	0.4
286.04745	0.1
287.05484	100.0
288.05820	3.7
300.65552	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01866	0.1
65.03926	0.2
67.01853	0.3
67.05505	0.2
68.99786	1.5
69.03426	0.2
69.07063	0.3
69.73013	0.6
69.73425	0.3
77.74832	0.1
79.05492	0.7
81.03403	0.4
81.07056	0.6
83.08622	0.1
91.05441	0.3
93.03400	0.1
93.07038	0.2
95.04966	0.4
95.08596	0.4
97.02909	0.2
103.05460	0.2
105.03379	0.8
105.07027	0.2
107.04954	0.9
107.08563	0.1
109.02888	0.5
109.10160	0.2
111.00817	1.2
111.04440	0.5
117.06999	0.3
119.04961	0.2
119.08636	0.2
121.02864	5.9
121.03950	0.3
121.06466	0.1
121.10136	0.2
122.03109	0.1
127.03941	0.3
129.07001	0.2
133.02838	0.6
133.06499	0.2
135.04402	0.4
135.08083	0.1
135.11636	0.1
136.93106	0.4
137.02339	2.2
141.06970	0.3
145.06529	0.6
147.04408	1.1
149.02280	0.1
153.01825	9.6
154.94164	1.4
157.06494	1.1
159.11655	0.1
161.05957	0.3
165.01830	3.4
166.02478	0.1
169.06522	0.1
171.03035	0.2
171.04344	0.7
172.95238	3.0
175.03987	0.1
175.07552	0.1
180.33354	0.1
183.02895	1.4
185.05931	1.1
189.05440	0.2
190.96262	1.8
195.96829	0.3
197.06015	0.3
203.07043	0.3
204.99527	0.2
213.05458	3.1
216.04121	0.1
217.04971	0.2
221.35771	0.1
223.00418	1.1
229.04927	0.6
231.06522	1.4
241.01492	5.0
241.04953	1.5
243.06441	0.2
246.02025	0.3
258.05255	2.0
259.02798	0.6
259.05966	0.7
264.03128	0.5
269.04422	0.2
287.05484	100.0
287.23672	0.4
288.05798	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Cyanidin
Peak:m/z	Relative Intensity
59.00924	0.1
64.60713	0.2
65.03915	0.3
67.01859	0.2
67.05481	0.3
68.99474	0.2
68.99796	1.6
69.07054	0.2
71.43879	0.3
79.05490	0.6
81.03403	0.3
81.07047	0.3
93.07046	0.4
95.04945	0.3
95.08569	0.2
103.05447	0.3
105.03392	0.9
105.07011	0.2
107.04961	1.0
107.08570	0.2
109.02863	0.7
109.10169	0.3
111.00810	1.4
111.04414	0.3
119.08582	0.3
121.01993	0.3
121.02865	5.3
121.10104	0.2
127.03942	0.3
129.06972	0.3
133.02852	0.8
135.04430	0.3
135.11726	0.2
137.02344	1.8
141.06966	0.2
145.06458	0.4
147.04373	1.1
153.01822	9.4
154.02129	0.2
157.06490	1.2
161.05965	0.3
163.03902	0.1
165.01830	3.1
169.06490	0.2
171.03024	0.2
171.04385	0.5
175.03830	0.1
183.02875	1.2
184.05197	0.1
185.05998	1.1
189.05489	0.2
197.05997	0.4
201.05693	0.1
203.03389	0.2
203.07066	0.3
213.05481	2.6
216.04259	0.2
229.04956	0.4
231.06467	1.1
241.04964	1.4
243.06537	0.3
258.05225	2.0
259.06082	0.8
269.04517	0.3
269.22501	0.2
270.05136	0.1
287.05484	100.0
287.23492	0.6
288.05832	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	286.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
55.05503	2.7
57.07080	10.0
58.06591	2.2
62.06094	5.9
67.05492	2.9
69.07062	2.8
70.71729	1.1
70.72122	1.0
71.04956	0.9
71.08625	5.4
73.29486	0.6
79.05489	2.4
81.07048	4.3
83.08603	2.0
85.10172	1.3
86.85232	0.7
87.04461	2.1
91.05484	1.7
93.07050	4.6
94.07416	0.7
95.04958	1.2
95.08606	5.2
96.08898	1.2
97.06503	1.8
105.07047	4.2
107.04958	0.9
107.08598	4.6
108.08943	0.9
109.06625	0.7
109.10151	4.6
110.10553	1.2
117.07045	0.7
119.08588	8.3
120.08900	2.3
121.10133	3.6
123.11708	1.6
131.08585	2.0
133.10133	4.1
135.08017	0.9
135.11681	2.0
143.08524	1.5
145.10107	3.1
146.10464	1.6
147.11713	2.2
148.12039	1.0
149.13315	0.7
153.01830	1.2
156.17441	1.4
157.10091	2.2
158.10541	0.8
159.11690	4.3
160.11975	1.6
161.09628	1.5
161.13293	0.9
169.10126	1.2
170.10593	1.1
171.11679	2.8
172.12042	0.9
173.09528	0.9
173.13307	2.4
174.13589	1.2
174.18541	4.4
175.11168	2.2
175.14899	0.9
176.11545	1.6
179.10693	0.8
183.11661	0.7
184.12006	1.1
185.13168	0.9
186.13506	0.7
187.14816	1.5
189.12828	0.7
189.16411	1.5
198.13560	1.0
199.11140	1.0
199.14796	1.4
200.15140	0.8
212.15179	1.1
212.23715	5.6
213.12892	1.0
213.16286	1.0
217.12393	0.9
226.25291	1.5
227.17873	0.7
230.24796	30.8
231.25175	1.1
241.19493	1.0
242.19852	1.1
243.21106	1.1
268.21399	1.8
269.19034	1.6
269.22543	1.9
286.19043	1.0
286.22485	11.6
286.31036	100.0
287.05426	7.3
287.16702	1.5
287.20071	8.3
287.23645	4.2
287.31329	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	286.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.8
55.78737	0.7
56.05028	0.7
57.03434	1.6
58.88419	0.6
59.04995	3.0
61.02924	5.1
69.03445	0.8
70.06589	8.5
71.04991	5.8
71.48344	0.6
71.57678	0.9
72.08161	1.3
72.34267	0.6
79.05485	1.7
80.05010	0.6
81.04568	0.7
81.07059	13.0
82.05317	1.4
83.06100	8.7
85.02914	0.7
86.43075	0.6
87.08111	1.3
93.04538	5.4
95.06087	16.2
99.08121	0.6
107.06110	1.8
110.07162	100.0
111.05584	1.8
111.07490	1.2
112.07617	6.6
112.08719	2.1
113.09595	0.8
116.07114	0.7
119.05997	0.7
121.07627	2.0
124.03956	4.8
126.07768	2.4
127.06179	0.7
135.04539	0.6
137.04611	2.0
138.07838	0.7
139.05043	0.7
140.07068	4.6
151.12268	0.6
154.07240	8.5
155.05684	0.8
156.07690	13.0
157.65497	0.6
163.03893	1.6
163.12302	52.8
164.12712	1.3
166.06122	2.4
190.13380	8.6
193.13324	0.7
208.14449	12.7
210.15981	0.8
212.15158	1.1
219.11299	2.7
236.13934	8.6
240.17076	7.1
241.15468	1.0
254.15012	20.6
268.16440	0.8
275.14087	0.8
286.11365	2.6
286.17606	83.4
287.05621	1.2
287.11081	6.3
287.17953	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	286.0923
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03940	0.6
55.01866	0.5
56.96553	0.5
57.03438	1.6
61.02930	2.8
62.06077	0.3
69.03430	3.9
69.84011	0.2
70.06588	1.0
71.04987	0.9
71.58366	0.4
71.58710	0.2
72.08154	1.0
73.02917	1.4
80.05016	1.4
81.03426	2.0
83.01312	0.3
83.06129	0.3
84.04504	0.2
85.02908	12.5
86.09708	0.4
87.04456	0.6
91.03951	1.0
95.06084	0.8
96.04467	1.0
97.02902	4.2
99.04456	0.8
109.02919	1.0
109.07634	0.5
110.07169	0.7
114.05518	0.3
116.07101	1.6
116.98634	0.3
119.01917	1.3
124.03956	100.0
125.04299	0.8
127.03921	2.7
129.04045	0.2
131.01915	0.4
134.99689	0.3
136.99429	0.3
137.02916	0.5
143.01897	0.4
143.11775	0.5
145.04944	2.3
149.02985	0.3
151.08659	2.5
161.02965	0.7
171.11313	0.2
173.02997	0.5
176.07915	0.2
183.05013	0.3
183.11275	2.4
185.02948	0.3
185.09239	3.0
187.00917	0.3
191.03906	0.3
192.05707	0.2
196.04031	0.4
199.04617	0.2
200.04459	0.3
203.04071	0.5
210.16133	0.3
215.00415	0.3
218.08777	0.2
242.18640	1.8
247.03140	0.5
284.57840	0.2
286.09256	0.8
286.14084	1.1
286.17673	0.6
287.05618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69974	1.7
51.95958	1.6
55.05510	34.0
57.07075	25.2
65.03912	2.8
67.05503	41.0
69.07067	52.1
70.98970	4.6
70.99313	2.0
71.04989	9.9
71.08624	16.3
79.05492	6.4
81.07055	87.2
83.08142	3.1
83.08617	49.5
85.10178	4.6
91.05476	3.6
93.07037	5.7
95.04965	3.6
95.08606	100.0
97.06533	2.9
97.10166	41.6
102.60688	1.6
105.07030	9.0
107.08588	7.9
109.10153	72.9
111.11723	22.2
113.09660	1.6
114.62997	1.5
117.07024	1.7
119.08572	11.4
121.05265	1.5
121.06445	2.0
121.10155	7.4
123.08100	2.7
123.11707	47.9
125.13242	2.3
129.60808	1.4
131.08586	5.0
133.10133	6.7
135.11713	4.0
137.13258	12.8
137.92554	1.7
145.10120	7.6
147.11679	6.2
149.13263	2.0
151.14740	8.2
156.09364	2.4
157.10121	5.1
158.61836	1.9
159.11687	12.8
161.13249	4.4
165.16415	5.3
169.10057	2.6
171.11690	5.5
173.09644	2.6
173.13268	7.8
175.14864	2.5
179.17975	4.1
183.11688	4.9
185.13269	6.0
186.96748	2.6
187.14822	3.1
189.12625	2.1
189.16452	1.8
193.19434	3.4
197.13281	3.0
199.14873	2.3
201.16354	3.4
204.97903	2.0
211.14810	3.3
225.16400	2.8
225.18498	1.7
227.17825	1.9
229.12054	1.8
239.17981	2.4
241.19556	4.4
242.99515	2.1
249.25740	11.2
257.22580	4.8
264.69540	1.7
267.21027	6.9
267.26917	3.2
285.07700	3.0
285.11307	2.8
285.15302	1.7
285.18527	8.8
285.22104	39.1
285.30029	2.9
285.33350	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62370	3.8
55.05504	17.1
56.96559	6.7
57.03456	4.0
57.07076	35.4
67.05511	22.8
69.07070	53.4
71.08640	22.3
71.59442	5.1
79.05489	9.1
81.07063	56.1
83.04949	3.8
83.08621	20.8
85.06555	4.9
85.10178	8.0
86.09734	3.8
88.02229	4.1
91.05472	7.3
93.07021	17.7
95.04938	5.7
95.08605	100.0
97.10162	13.0
105.07046	14.8
107.08611	11.0
109.10149	35.9
111.11715	4.3
117.07050	6.2
119.08585	21.7
121.10127	11.3
123.11707	18.2
131.08589	9.2
133.10139	13.8
135.11740	10.3
137.13260	5.9
143.08556	5.9
143.65736	3.5
145.10129	13.8
147.11702	8.2
149.09775	4.3
149.13333	4.1
151.14810	7.4
157.10114	12.0
159.11717	15.0
161.13298	5.4
163.14796	5.1
169.10178	7.7
171.11649	10.2
173.13283	11.6
175.11246	4.7
175.14861	7.0
183.11731	6.7
185.13417	8.0
187.14815	9.0
189.12772	4.0
196.21149	3.7
197.13263	8.5
201.16301	5.6
211.14865	4.4
241.19391	4.1
257.03256	5.2
257.22641	9.8
267.17487	9.6
267.21158	9.9
267.26807	69.2
267.29672	3.8
268.10907	6.3
268.27097	4.6
285.18457	20.3
285.22073	48.6
285.24829	5.8
285.29660	9.9
286.22305	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	34.7
57.03449	5.1
57.07081	23.9
57.64012	3.0
67.05502	40.7
69.03454	4.7
69.06721	4.5
69.07067	63.9
69.91412	5.9
69.91799	9.5
71.04975	7.8
71.08630	18.6
77.99339	2.9
79.05474	9.2
79.47459	3.1
81.03447	14.9
81.07053	92.3
83.04963	10.3
83.08616	59.4
85.02905	5.0
85.06538	5.8
85.10212	7.9
91.05476	12.2
93.07038	15.3
93.53716	2.8
95.04963	14.9
95.08603	100.0
97.02903	3.5
97.06505	3.9
97.10161	36.2
105.07034	22.2
107.04958	4.7
107.07963	2.8
107.08551	18.4
109.06516	3.0
109.09450	5.6
109.10146	64.8
109.10830	5.4
111.04402	4.6
111.11712	23.9
117.07006	5.2
119.08578	23.3
121.10135	14.2
123.08078	4.1
123.11709	47.5
125.09588	4.8
125.13261	6.7
131.08540	10.3
133.10141	11.1
135.11723	4.8
137.13219	22.1
139.14836	3.5
143.08553	10.8
145.10117	19.4
147.11678	10.8
151.14777	10.1
155.08557	4.5
157.10072	9.1
159.11688	13.7
161.06021	8.0
161.13268	6.9
165.07002	9.8
165.16356	5.8
169.10121	20.1
171.11736	8.2
172.12332	3.0
173.13254	19.4
175.11159	6.7
175.14769	5.1
179.17975	5.2
181.10167	4.1
183.11668	9.0
185.13249	4.4
187.14853	11.5
193.06451	10.6
193.12270	7.7
193.19368	5.9
197.13272	9.7
201.16400	7.6
210.06665	5.6
211.11095	4.1
211.14795	4.8
221.05968	7.7
225.09091	14.6
239.17949	28.6
241.19458	5.9
249.25790	15.3
253.08569	37.0
254.08893	4.7
257.22589	9.6
267.21094	14.4
267.26791	15.5
285.03979	3.1
285.08020	4.7
285.11212	23.6
285.18475	43.5
285.22113	58.3
286.18741	4.6
308.09396	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	285.2212
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
53.03940	1.0
55.01864	1.2
55.05512	5.6
56.05178	1.0
56.34449	0.9
57.03416	1.6
57.07056	2.9
67.05508	7.1
69.07071	6.2
71.08628	1.4
71.18358	2.6
75.65755	1.0
79.05476	2.9
81.03426	13.8
81.07059	16.3
83.08601	3.3
84.83127	1.0
91.05484	5.2
93.07043	9.0
95.04962	9.6
95.08048	1.7
95.08607	22.6
97.06517	2.5
97.10162	6.3
102.50742	1.0
105.07021	7.7
107.04915	1.1
107.08612	10.0
109.06522	6.0
109.10152	11.7
112.04297	1.0
117.07003	2.6
119.08571	10.6
121.06507	2.7
121.10157	12.5
123.08085	2.0
123.11718	5.4
131.08577	7.2
131.91486	1.1
133.06421	1.1
133.10130	6.5
134.03206	1.1
135.08043	3.3
135.11676	5.6
137.13272	2.1
142.07813	1.3
143.08565	3.5
145.06480	1.6
145.10106	7.6
147.08060	3.0
147.11644	6.0
149.09612	1.8
149.13269	3.4
151.14783	1.4
155.08588	1.5
157.10104	4.5
159.08035	2.5
159.11725	8.4
161.09619	5.4
161.13254	3.7
161.16174	1.0
163.11217	2.1
163.14807	3.4
169.10114	3.3
171.11659	4.4
173.09596	1.5
173.13278	5.3
175.11180	2.8
175.14886	2.6
177.12872	1.5
183.11670	4.0
185.13254	4.1
187.11111	1.7
187.14783	3.1
189.12761	8.6
191.17979	8.3
197.13249	6.0
199.14801	1.9
201.12718	3.2
201.16394	2.2
203.14340	4.9
203.18018	2.2
209.13057	1.1
211.14816	3.6
215.14331	4.0
225.16444	2.6
227.18098	1.4
229.15874	1.5
229.19543	1.0
239.18152	1.5
241.19461	3.1
243.17490	1.6
257.22604	6.1
263.58575	1.1
267.21082	16.4
276.62280	1.2
285.22101	100.0
286.22400	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
55.05510	6.1
57.07071	2.3
65.97139	0.9
67.05510	10.2
69.03427	1.2
69.07067	6.8
71.04975	1.0
71.06097	2.1
71.06469	1.3
79.05489	5.1
81.07054	14.6
83.04980	1.9
83.08607	4.3
91.05474	4.1
93.07052	8.5
93.32748	0.9
95.04955	3.8
95.08054	1.8
95.08618	24.3
97.06527	2.8
97.10159	1.8
99.08069	1.7
105.07040	12.9
105.27924	1.2
107.08594	12.8
109.06522	4.9
109.10165	12.2
111.08076	1.5
117.07020	1.5
119.08601	23.9
121.06490	2.7
121.10143	13.0
123.08066	6.4
123.11738	5.8
125.09618	1.1
129.07027	1.3
131.08592	6.5
133.06543	1.1
133.10130	13.1
135.08046	2.8
135.11702	6.7
137.13234	1.6
142.07762	1.4
143.08577	4.6
144.09343	1.8
145.10143	13.8
147.08084	1.2
147.11690	9.2
149.09628	1.6
149.13258	3.3
155.08531	2.4
156.09340	1.8
157.10144	7.5
158.10880	2.9
159.08063	1.9
159.11708	21.1
161.09608	5.1
161.13266	8.8
163.11249	2.5
163.14807	2.9
169.10098	5.8
170.10956	2.4
171.11703	9.7
173.09657	2.1
173.13287	19.2
174.13687	1.4
175.11230	5.6
175.14856	5.2
177.12775	2.7
177.16263	1.3
183.11682	6.3
185.13301	10.0
187.11185	2.6
187.14822	13.0
189.12772	5.2
189.16371	4.6
191.14378	1.1
196.12489	1.1
197.13278	8.8
199.14810	6.1
201.12766	3.9
201.16389	9.0
203.14420	2.0
211.14880	6.8
213.16386	3.4
215.14322	6.4
215.17926	3.0
225.16385	3.7
227.17986	2.3
229.15877	4.9
229.19519	3.1
239.18010	2.0
241.19540	10.7
243.17473	2.5
243.21143	1.8
257.18777	2.1
257.22699	24.4
267.21088	18.9
285.22137	100.0
286.22409	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05515	7.5
57.03432	1.3
57.07069	3.1
63.00062	1.1
67.05511	12.5
67.55374	1.1
69.03413	1.9
69.07072	11.2
71.05011	2.3
79.05488	6.6
81.03430	1.9
81.07066	21.2
83.08611	7.0
85.02885	1.5
85.06528	2.5
91.05492	5.7
93.07053	9.9
95.04964	5.1
95.08614	24.8
97.06519	3.3
97.10181	3.2
99.08120	1.6
100.72328	1.2
103.05439	2.0
105.06487	1.5
105.07043	15.9
107.08604	16.3
109.06509	4.0
109.10165	20.4
111.08091	1.5
117.07010	2.8
119.08587	29.9
121.06515	2.4
121.10154	12.7
123.08049	3.7
123.11701	8.4
125.09664	1.7
129.07018	3.4
131.04990	1.8
131.08577	9.5
133.10143	17.5
135.08075	2.0
135.11700	5.8
137.09613	1.8
142.07825	2.0
143.08539	6.2
144.09286	1.3
145.10124	23.5
145.40704	1.2
147.08052	1.4
147.11690	12.3
149.09604	1.4
149.13266	4.4
155.08562	2.4
156.09332	3.1
157.10153	15.4
158.10873	2.4
159.08031	3.1
159.11702	42.7
161.09660	3.3
161.13277	12.2
163.11215	2.2
163.14813	5.3
169.10103	7.3
170.10924	2.8
171.11713	12.8
173.09628	2.4
173.13263	17.8
175.11185	3.2
175.14806	4.9
177.12781	3.3
180.77762	1.2
181.04968	26.7
182.05389	1.9
182.10945	2.0
183.11714	5.1
184.03839	1.3
185.09691	1.4
185.13268	11.7
187.11201	2.6
187.14835	22.2
189.12782	3.0
189.16406	5.1
193.12228	1.5
197.13283	10.0
199.14848	8.9
201.12732	5.2
201.16438	14.5
203.17934	1.3
209.13261	1.7
211.14876	9.5
213.16338	3.3
215.14334	5.6
215.17938	3.2
225.16422	6.5
227.17937	4.5
229.15883	6.8
239.18030	1.7
241.19530	10.1
243.17480	3.4
257.19040	1.8
257.19501	1.9
257.22629	21.8
267.21136	21.8
285.08179	1.8
285.11182	7.9
285.18637	6.3
285.22125	100.0
286.22421	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
50.66015	1.1
55.05513	6.9
57.03417	1.2
57.07073	2.1
57.34685	1.1
67.05505	9.6
67.70187	1.2
69.07059	7.6
71.12102	4.0
78.83028	1.1
79.05486	4.7
81.07059	14.1
83.04994	1.5
83.08604	3.6
91.04964	1.3
91.05484	4.5
93.07054	8.2
95.04963	5.5
95.08608	25.3
97.06515	1.5
97.10162	2.4
105.07037	9.9
107.08594	15.4
109.06507	4.7
109.10160	13.3
117.06992	1.9
119.08584	22.2
121.06468	2.3
121.10143	14.3
123.08057	7.8
123.11687	5.1
131.08585	6.1
133.10132	13.6
135.08104	1.8
135.11644	6.0
137.09644	1.4
137.17816	1.3
142.07768	1.5
143.08551	5.5
144.09348	1.5
145.10141	15.9
146.69925	1.5
147.11671	8.4
149.13245	2.5
155.08574	2.2
156.09309	2.3
157.10150	6.2
158.10916	1.6
159.08061	3.1
159.11693	18.8
161.09601	4.5
161.13257	10.1
163.11189	3.3
163.14803	4.5
165.12682	1.7
169.10120	5.4
170.10909	2.7
171.11716	9.3
173.09610	2.6
173.13255	20.8
175.11185	5.0
175.14816	4.5
177.16428	1.6
183.11725	6.9
185.13274	6.8
187.11122	1.9
187.14847	12.3
189.12761	5.5
189.16403	4.3
196.12421	2.4
197.13260	5.7
199.14827	5.3
201.12741	3.2
201.16432	6.9
203.14388	1.4
211.14824	7.5
213.16371	3.4
215.14317	7.0
215.17963	1.6
217.15858	1.3
223.14920	1.2
225.16405	3.8
227.18033	2.5
229.15904	5.4
229.19566	1.4
241.19498	10.5
243.17508	1.6
243.21205	1.3
257.18933	2.6
257.22662	23.0
267.21045	17.7
285.22134	100.0
286.22458	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
50.39809	3.7
55.05508	15.1
57.07066	6.7
65.13800	3.9
67.05498	18.7
69.07062	31.6
71.29926	8.9
79.05478	8.6
80.41572	3.7
81.07052	36.0
83.08602	13.8
89.37359	4.5
91.05491	12.4
93.07046	21.3
95.04974	6.6
95.08614	63.4
97.10187	6.2
105.07031	33.2
107.08600	36.4
109.06511	15.3
109.10159	41.4
119.08585	69.4
121.06503	9.0
121.10148	34.0
123.08095	9.7
123.11703	14.7
131.08553	13.8
133.10167	35.7
135.11728	16.2
141.55542	4.9
143.08624	4.7
145.10120	31.7
147.11696	22.9
149.13306	9.0
152.16151	4.5
155.08597	4.7
157.10107	13.7
157.48933	5.6
159.08084	4.9
159.11699	47.6
161.09633	39.1
161.13301	19.0
163.11209	6.1
163.14867	6.3
169.10037	7.0
171.11700	20.8
173.09666	10.6
173.13274	46.0
175.11180	10.7
175.14835	19.6
183.11690	15.0
185.13225	18.6
187.14822	26.5
189.12718	9.7
189.16405	9.8
197.13246	16.2
199.14920	10.6
201.16370	21.5
203.17984	5.7
211.14792	24.6
213.16258	4.8
215.14383	11.4
215.17996	7.8
217.15788	5.4
225.16356	10.4
229.15875	11.5
229.19594	5.7
241.19531	14.9
243.17404	8.2
257.22620	35.5
267.21085	33.2
271.47476	4.6
285.22128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
51.79484	0.7
51.83139	0.7
53.15990	0.8
55.05516	5.0
57.07064	2.2
58.22315	0.7
65.03931	0.9
67.05508	9.1
69.03424	1.2
69.07074	9.3
69.66970	5.8
69.67358	1.9
71.04993	1.6
79.05480	4.0
81.07063	15.7
83.04990	1.0
83.08635	4.5
85.06510	1.1
91.05473	4.7
93.07054	8.5
95.04952	2.7
95.08611	27.9
97.06551	2.2
97.10156	2.6
99.08098	1.4
105.07035	13.1
107.08593	15.8
109.06496	3.9
109.10157	16.7
111.08078	1.3
117.06998	2.1
119.08585	26.3
121.06519	2.4
121.10144	13.9
123.08081	7.9
123.11730	6.4
129.07024	1.7
131.08588	6.5
133.10143	17.1
135.08061	3.1
135.11694	7.6
137.09656	2.4
137.13235	2.1
143.08588	3.9
144.09341	1.4
145.10121	16.1
147.08032	1.5
147.11697	12.7
149.13252	5.2
155.08516	2.5
156.09360	1.8
157.10117	10.4
158.10884	1.9
158.32661	0.8
159.08070	1.6
159.11688	24.6
160.08922	1.1
161.09663	5.1
161.13258	12.9
163.11180	2.7
163.14806	5.4
164.66284	0.9
165.12764	3.1
169.10175	5.3
170.10919	2.9
171.11688	14.2
172.12430	1.1
173.09641	3.2
173.13272	29.0
175.11191	3.6
175.14848	6.7
177.12758	2.6
177.16356	2.0
178.21126	0.8
182.10933	1.6
183.11740	6.4
185.13260	11.9
187.11208	2.6
187.14830	15.3
188.15614	1.3
189.12732	6.4
189.16377	4.3
191.14302	1.2
196.12505	2.0
197.13252	8.0
199.14825	6.3
201.12746	3.0
201.16391	11.4
203.14340	3.2
209.13113	1.0
211.14816	8.2
213.16335	4.0
215.14352	7.8
215.17976	3.4
217.15886	2.6
223.14749	1.1
225.16469	5.2
227.17966	2.6
229.15901	6.5
229.19524	5.6
237.16518	0.9
239.18031	1.2
241.19516	17.2
243.17477	2.9
243.21124	2.1
257.19000	3.2
257.22653	33.0
267.21075	23.9
285.22131	100.0
286.22498	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	285.2213
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
52.57455	1.4
55.05492	5.7
56.96557	1.4
57.07058	4.0
63.00024	1.6
65.03949	2.0
67.05502	37.6
69.03410	4.3
69.07069	12.8
71.04969	3.9
71.60320	2.7
77.77647	1.6
79.05464	6.5
81.06660	1.5
81.07056	19.0
83.04947	3.2
83.08602	3.7
85.06569	1.7
91.05479	6.9
93.07055	7.7
95.04972	31.1
95.08057	2.6
95.08607	29.5
97.06541	3.9
97.10183	2.1
104.74890	1.5
105.07034	15.1
107.08590	19.2
109.06485	5.0
109.10158	100.0
117.07001	2.2
119.08585	26.9
121.06486	3.1
121.10154	11.8
123.08087	3.4
123.11665	5.3
131.08565	7.7
133.06494	1.8
133.10121	16.4
135.08020	5.0
135.11662	5.5
142.07732	3.1
143.08516	3.1
144.09337	3.3
145.10120	13.0
147.08054	2.6
147.11684	11.3
149.13176	2.5
154.07808	1.6
155.08548	2.2
157.10141	8.5
159.08067	3.1
159.11687	16.1
161.09573	4.0
161.13254	6.1
163.11130	4.0
169.10066	4.5
171.11656	5.3
173.09688	3.0
173.13226	10.5
175.11179	17.6
175.14868	7.7
177.12746	15.4
177.16388	1.8
183.11642	5.5
185.13240	5.3
187.11186	2.8
187.14746	6.2
189.00627	1.4
189.12740	2.3
189.16443	2.3
191.01825	1.4
196.12466	2.4
197.13251	4.5
199.14694	2.6
201.12878	1.4
201.16385	4.6
203.14352	2.9
203.17946	2.9
209.13312	1.8
211.14774	5.5
215.17924	6.4
225.16409	3.9
227.17897	2.3
229.15872	4.0
241.19527	3.8
243.17413	2.1
253.08502	1.8
257.19330	1.8
257.22571	7.1
261.72287	1.6
267.17770	1.5
267.21042	11.9
268.10825	2.2
285.07483	2.2
285.18497	12.8
285.22055	94.6
285.29758	4.4
286.18839	1.8
286.22238	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	285.2214
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
55.05510	8.1
57.07066	2.0
65.03909	1.5
67.05508	9.4
67.05811	1.7
69.07067	7.7
70.50573	1.8
70.50927	4.9
71.04993	1.5
79.05486	5.9
81.07061	20.0
83.04967	1.7
83.08614	6.2
91.05463	4.2
93.07043	10.3
95.08614	33.2
97.06509	3.5
97.10157	2.5
99.08106	2.2
105.07025	14.0
107.08592	14.0
109.06498	5.0
109.10170	17.9
117.06986	1.7
119.08592	31.1
121.06504	2.1
121.10143	15.3
123.08092	10.5
123.11741	6.7
131.08557	6.4
133.10127	18.3
135.08058	2.4
135.11705	9.9
137.09663	1.6
142.07803	2.6
143.08546	5.7
145.10129	19.9
147.08046	1.7
147.11708	12.9
149.09665	1.6
149.13255	5.4
155.08484	2.4
156.09352	2.6
157.10104	9.3
158.10889	2.3
159.11693	25.9
161.09641	5.2
161.13251	15.1
163.11198	4.4
163.14827	5.7
165.12845	2.0
169.10135	4.1
171.11693	13.4
173.09660	3.0
173.13261	32.2
175.11165	5.0
175.14813	6.1
177.12891	1.9
177.16438	1.6
183.11751	6.7
185.13248	11.5
187.11206	2.9
187.14854	14.9
189.12785	8.0
189.16374	5.8
196.12492	2.1
197.13245	10.1
198.14142	1.4
199.14825	4.8
200.07562	1.6
201.12758	4.8
201.16383	12.7
203.14246	3.5
211.14818	9.2
213.16353	2.7
215.14281	7.1
215.17836	3.6
225.16402	5.0
227.17935	4.2
229.15880	6.4
229.19510	4.0
239.18019	1.9
241.19499	17.0
243.17531	1.9
257.18869	2.9
257.22668	27.6
267.21106	24.0
285.22131	100.0
286.22516	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
54.67376	0.7
55.01859	1.2
55.05507	6.3
57.07058	1.4
64.62150	0.7
64.97486	0.7
67.05499	8.8
69.07063	5.9
71.08602	1.0
71.45404	1.4
79.05484	3.4
81.03407	1.1
81.07052	19.3
83.08615	4.8
85.06532	2.0
91.05480	5.0
93.07035	9.7
95.04948	2.0
95.08604	40.5
96.08979	0.7
97.06523	12.9
97.10165	2.3
100.21302	0.7
105.07028	11.3
107.04942	0.9
107.08594	11.7
109.06534	2.0
109.10140	10.6
111.08077	3.0
117.07009	2.2
119.08573	18.8
121.06472	1.1
121.10127	11.2
123.08044	1.7
123.11685	3.3
124.35018	0.8
128.06213	1.4
129.07016	3.6
129.12970	0.7
131.08574	5.9
133.10130	8.0
135.08043	1.3
135.11687	4.8
141.06949	1.4
142.07762	2.5
143.08562	11.6
145.10129	13.1
147.11676	5.9
149.09598	0.8
149.13211	1.7
154.07773	0.9
155.08531	8.6
156.09314	3.1
156.72865	0.8
157.10120	12.0
159.11690	12.9
161.13286	4.4
163.11172	0.9
163.14798	1.3
168.09369	1.1
169.10132	12.6
170.10876	1.8
171.11684	21.8
173.09583	1.5
173.13283	10.2
175.11203	1.1
175.14795	1.2
177.12665	0.9
181.10132	0.9
182.10912	2.3
183.11685	10.0
185.13246	19.2
187.14870	6.4
189.12701	1.8
189.16379	2.8
191.14291	2.0
195.11745	1.0
196.12431	1.7
197.13245	12.5
199.14795	3.3
200.14975	0.8
201.12740	2.1
201.16347	2.4
203.14284	1.2
205.15852	1.3
209.13171	1.4
211.13126	0.8
211.14865	10.3
213.16426	1.6
215.14319	10.8
224.15633	0.9
225.16374	9.0
227.17926	3.0
229.15875	4.6
231.67342	0.7
239.17921	6.5
241.19522	23.1
243.17520	1.8
243.21043	1.5
257.22552	3.3
257.25085	0.8
267.21075	46.3
285.07684	1.1
285.22101	100.0
286.22519	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.221
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
51.34880	2.5
53.03924	2.1
55.05521	12.1
56.05843	3.8
57.07071	5.3
67.05507	11.7
69.03427	3.1
69.07069	14.2
71.34620	4.0
71.34955	3.1
79.05486	7.6
81.07058	20.4
82.07429	2.8
83.08616	11.7
84.08953	5.2
91.05469	8.3
93.07065	11.3
95.04960	5.3
95.08614	27.9
96.08908	3.4
97.06540	2.9
97.10172	5.8
103.99057	1.9
105.07022	18.4
107.08589	17.7
109.06533	4.7
109.10148	14.0
116.23573	2.4
119.08584	29.0
121.10144	14.9
123.08057	7.5
123.11698	8.5
131.08539	8.9
131.09444	2.4
133.10139	15.8
135.07994	2.3
135.11687	8.3
143.08517	3.8
144.09328	2.8
145.10129	19.8
147.11670	11.3
149.13240	5.7
155.08554	3.8
157.10123	9.2
158.10974	2.3
159.11707	22.6
161.09654	4.1
161.13251	10.0
163.14816	4.4
169.10106	6.0
171.11659	15.2
172.12315	2.7
173.13295	30.5
175.11192	4.1
175.14818	6.3
177.12776	2.6
183.11670	7.9
185.13280	11.5
187.14815	11.5
189.12723	3.5
189.16426	2.3
197.13235	7.2
199.14830	6.0
201.12762	3.1
201.16342	8.2
203.14307	2.8
211.14844	6.8
213.16368	3.5
215.14320	5.4
215.17995	3.3
225.16400	7.8
229.15855	6.7
241.19553	9.7
250.25351	2.5
257.18918	4.5
257.22662	24.9
267.21094	24.4
268.25922	2.7
285.19049	3.4
285.22110	100.0
285.28824	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	285.1849
Annotation	Methyltrienolone
Peak:m/z	Relative Intensity
53.03942	1.0
55.05515	6.6
56.96562	0.9
57.03434	1.0
57.07061	1.7
64.99950	0.7
65.03926	0.8
67.05502	9.1
67.40842	0.7
69.03415	0.9
69.07069	9.8
69.56720	5.4
71.04993	4.3
76.03954	0.6
79.05490	6.0
81.03436	0.8
81.07059	12.5
83.04973	2.7
83.08627	4.3
85.06544	4.4
87.10375	0.6
91.05478	10.4
93.07052	10.6
94.37108	0.7
95.04968	4.3
95.08606	14.6
95.74329	0.6
97.02863	1.7
97.06507	0.7
97.10178	0.9
98.97610	1.0
99.04383	0.7
99.08098	0.7
103.05463	1.0
105.07026	17.6
107.04935	0.9
107.08596	15.7
109.06548	4.5
109.10137	5.3
111.04458	3.6
113.06017	1.7
115.05447	1.2
117.07018	4.8
119.08577	65.0
120.08880	1.2
120.93911	0.7
121.06520	0.8
121.10143	11.1
121.81548	0.8
123.08065	2.2
123.11684	1.3
125.06017	1.6
125.09647	1.0
127.07514	1.9
128.06235	2.0
129.07010	4.1
130.07808	1.4
131.08568	13.4
133.06499	1.5
133.10129	29.4
135.08047	1.7
135.11725	8.1
137.06036	1.3
137.09593	1.2
141.06960	3.4
142.07770	4.6
143.08549	10.6
144.09305	2.4
145.10117	27.8
146.10869	1.1
147.08055	2.2
147.11703	10.5
149.09630	1.1
149.13274	0.9
151.07538	2.1
153.06984	1.8
154.07771	1.7
155.08533	7.4
156.09341	11.8
157.10132	22.8
158.10941	4.2
159.08067	1.3
159.11697	20.5
159.13022	1.0
160.05112	0.8
161.06021	2.0
161.09625	2.2
161.13287	2.4
163.07561	1.8
165.07011	3.4
165.09158	2.5
167.08607	2.7
168.09326	3.5
169.10118	23.7
170.10919	14.6
171.11688	34.7
172.12468	6.5
173.09624	2.5
173.13266	30.4
174.13910	2.7
175.11194	1.2
175.14836	2.6
177.09148	1.7
179.08614	1.2
179.10654	1.7
181.10114	5.8
182.07286	1.1
182.10889	3.4
183.11693	27.4
184.12286	2.2
185.09679	2.5
185.11592	1.7
185.13251	31.0
186.13947	2.1
187.07550	1.3
187.11226	2.7
187.14825	26.5
188.15616	5.5
189.09090	1.5
189.12733	1.0
191.10655	1.3
193.06497	1.6
193.10188	3.4
193.11792	0.8
194.10878	1.3
195.07938	0.9
195.11690	7.2
196.08801	1.0
196.12440	4.0
197.09671	4.0
197.11401	1.6
197.13243	19.8
197.15039	1.4
198.13728	1.0
199.11174	2.2
199.14850	5.1
200.33649	0.7
201.09180	2.3
201.12772	1.8
201.16446	1.1
203.10606	2.2
205.10350	0.8
206.10930	0.8
207.11700	3.0
208.12511	2.2
209.13220	4.1
210.06796	2.2
210.10533	0.8
210.14024	5.8
211.11243	6.4
211.14809	11.8
213.12723	1.2
215.10698	6.8
217.12286	1.5
219.11679	4.3
221.06023	2.6
221.13312	1.7
223.14803	11.4
224.15660	3.2
225.09113	5.2
225.12750	3.1
225.16374	31.5
226.16881	2.5
227.17958	1.0
228.38467	0.7
229.12239	6.4
229.15889	0.8
234.14034	3.2
237.12737	2.3
238.06345	1.0
239.07268	0.8
239.17935	25.4
240.18327	1.5
241.19545	2.7
243.13875	2.6
243.17444	1.3
249.16405	12.0
252.15141	2.1
253.08604	9.1
254.08949	0.8
257.04532	1.9
257.19031	1.3
257.22607	1.0
267.17468	36.1
267.20969	3.8
268.18011	1.7
285.11578	7.0
285.18527	100.0
285.22055	10.8
286.04953	0.9
286.11447	0.9
286.18903	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	285.1851
Annotation	Methyltrienolone
Peak:m/z	Relative Intensity
55.01863	3.1
55.05508	9.0
55.65203	2.5
56.96564	4.5
57.03437	3.5
57.07069	8.3
57.99104	2.9
60.42367	2.5
63.00053	2.8
67.05508	19.5
69.03405	3.7
69.07076	8.6
69.30549	2.8
70.06591	4.2
71.04976	4.0
71.08638	3.4
71.59830	3.3
71.75184	2.8
79.05504	10.8
81.03429	10.4
81.07066	20.1
83.04974	4.6
83.08634	7.2
85.02908	8.0
87.04507	3.0
88.07632	5.8
91.05475	16.0
93.07056	20.9
94.56358	2.8
95.04971	8.3
95.08602	27.0
95.09100	3.0
97.06546	6.0
98.98483	4.0
105.07037	26.9
107.08593	27.3
109.06522	6.4
109.10120	18.8
111.08087	3.7
117.07043	3.7
119.08585	31.2
121.06547	3.9
121.10144	42.0
123.08085	5.2
123.11794	3.4
128.06270	6.2
129.07060	7.6
130.07869	3.5
131.08556	18.5
133.10144	12.8
135.08058	8.1
135.11719	5.3
137.09613	4.8
141.07010	4.7
142.07809	8.6
143.08562	22.0
144.09383	3.1
145.10139	25.6
147.08057	5.1
147.11726	11.3
149.09651	8.1
155.08592	9.0
156.09419	7.9
157.10173	22.1
158.10983	3.4
159.08092	7.1
159.11697	23.4
160.91255	3.1
161.09682	8.8
163.07533	3.4
163.11227	11.4
165.09282	3.1
168.09387	3.6
169.10178	11.6
171.11694	23.4
173.09680	6.1
173.13272	19.9
175.11258	6.7
177.09242	4.6
177.12781	3.3
181.10110	5.5
183.11684	15.1
185.09566	11.6
185.13271	10.6
187.11249	9.2
187.14816	8.7
191.10866	3.1
193.12300	8.7
196.12621	2.7
197.13287	10.6
199.14845	24.5
201.12846	6.6
205.12367	2.9
209.13383	5.7
211.11482	5.4
211.14868	7.8
213.16412	4.5
215.10744	5.6
215.14561	3.2
215.17966	4.1
217.12305	4.4
223.14955	5.1
224.15634	3.7
225.12816	3.9
225.16487	7.8
227.14336	6.0
229.12302	8.0
239.18065	9.3
240.18289	2.7
242.16710	4.3
243.17519	5.0
249.16487	5.5
253.08655	3.7
257.19016	13.2
267.17523	20.6
285.07651	2.7
285.14758	4.6
285.18588	100.0
285.22052	9.4
285.29807	37.2
286.18906	5.4
286.31079	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.20838	1.3
53.03928	4.1
55.01858	5.5
55.05512	21.0
55.62318	1.3
57.03437	38.1
58.30410	1.3
59.04989	1.6
65.03941	1.7
67.05505	33.2
69.03415	4.0
69.07075	10.7
69.61046	10.6
71.04972	8.5
79.05494	29.9
81.03419	94.2
81.07058	47.3
83.04991	17.5
83.08618	29.9
83.69521	1.4
85.02905	74.1
85.06535	3.5
86.02335	1.5
90.78339	1.3
91.05483	42.1
93.07046	26.0
95.04967	38.6
95.08610	19.3
97.02875	4.7
97.06525	7.2
97.10164	3.4
99.08034	1.4
99.53187	1.4
100.29601	1.3
105.06384	2.5
105.07032	32.2
107.04933	8.3
107.08599	13.6
109.06509	7.8
109.10145	4.9
111.04440	3.8
111.08083	19.5
113.06007	6.6
115.05468	2.3
117.07024	2.2
119.07792	2.5
119.08581	27.2
121.06497	2.7
121.10155	15.5
123.08046	5.4
123.11678	3.9
125.09666	2.0
129.06996	15.6
131.08566	17.3
133.06477	3.7
133.10135	14.7
137.09602	3.0
142.07788	5.8
145.10103	3.1
147.08043	3.2
147.10620	2.6
147.11688	22.6
147.40126	1.4
148.02533	1.5
149.09605	9.6
157.10130	22.6
157.93098	1.3
163.11189	1.8
165.12747	6.3
175.11198	23.9
175.12694	1.8
192.37915	1.7
193.12245	91.0
194.12529	1.8
211.13303	61.2
233.98706	1.6
257.04358	3.1
267.15906	11.8
285.16956	100.0
286.17242	1.9
301.49051	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03940	3.9
53.47338	1.7
55.01862	3.4
55.05516	14.0
57.03436	21.4
59.04992	3.9
67.05507	25.3
68.05762	1.6
69.03417	5.8
69.07068	9.0
70.20419	3.6
70.20789	6.3
71.04987	7.3
79.05492	21.8
81.03421	100.0
81.07058	33.1
83.04993	9.8
83.08627	26.5
85.02427	2.8
85.02904	30.3
91.05486	26.1
93.07037	19.8
95.04968	37.7
95.08608	12.2
97.02901	3.6
97.06521	4.6
97.10169	3.4
101.05991	2.0
105.07032	23.9
107.04945	7.8
107.08575	7.9
109.06503	5.9
109.10127	4.9
111.04446	2.8
111.08075	18.5
113.05952	3.4
115.05481	1.7
119.08584	20.2
121.10142	11.3
123.08043	3.1
123.11707	5.7
129.07004	13.4
131.08588	12.3
133.06509	2.4
133.10161	9.3
135.11674	3.1
137.09628	2.6
145.10129	3.3
147.08040	5.1
147.11687	17.9
149.09624	5.4
149.13223	1.7
153.12720	7.0
157.10149	17.1
159.11693	3.2
165.12730	5.7
170.51146	1.6
171.11729	2.9
175.11208	20.6
193.12245	85.6
199.14952	1.7
211.13275	41.2
229.14307	4.5
249.24098	3.6
253.08557	3.8
257.04547	2.8
267.15948	17.6
267.25162	5.9
285.11484	2.6
285.16943	51.8
285.22098	9.4
285.26108	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03939	3.3
54.14833	1.4
54.61856	1.2
55.01878	4.6
55.05511	12.0
57.03437	15.3
57.09628	1.3
65.03928	1.4
67.05505	19.0
69.03429	6.2
69.07071	8.5
70.06563	1.7
71.04987	4.6
71.51080	3.5
73.82734	1.3
75.04459	1.3
79.05487	19.4
81.03421	100.0
81.07055	23.6
83.04990	9.4
83.08618	22.8
85.02901	17.5
85.06560	2.0
87.10452	1.3
91.05489	19.8
93.07051	15.3
95.04976	32.5
95.08587	9.4
97.02897	4.8
97.06532	4.6
99.04449	1.4
104.18195	1.3
105.07034	18.9
107.04963	8.0
107.08604	11.9
109.06525	6.9
109.10145	3.9
111.04443	5.0
111.08092	15.1
113.06036	1.5
116.07108	2.7
117.07047	2.5
119.04881	1.8
119.08582	16.1
121.06526	2.4
121.10162	9.7
123.04427	1.7
123.08111	2.7
125.09595	1.7
128.06232	1.8
129.07008	10.5
131.08574	9.9
133.06517	3.3
133.10159	7.7
135.08028	2.1
135.11740	3.2
135.60802	1.4
137.09630	2.9
142.07794	4.3
143.08556	2.3
145.10146	3.9
147.08047	3.5
147.11711	17.4
149.09653	4.8
151.07516	1.6
157.10120	13.8
159.06563	1.4
159.07913	1.8
159.11649	1.9
161.09647	1.5
165.12753	6.1
171.11768	1.6
173.09575	2.0
175.11197	14.8
181.04924	1.8
181.08635	2.1
193.12247	66.0
211.13309	21.6
219.13815	3.4
225.09155	2.4
225.95280	1.4
229.14320	6.6
231.13857	4.0
249.14886	6.0
249.23967	1.4
253.08725	2.5
267.15891	20.3
267.25211	8.7
283.18753	1.6
285.03943	2.6
285.11261	3.1
285.16898	29.6
285.21878	1.8
285.26254	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20562	1.6
51.27470	1.6
53.03941	3.3
55.01862	5.1
55.05507	10.7
56.96561	4.8
57.03451	10.5
57.03688	2.2
57.07049	2.8
63.00030	2.5
65.03954	2.5
67.05505	19.5
67.34578	1.7
69.03419	8.3
69.07052	8.0
70.06593	9.6
71.04985	4.8
71.08633	2.3
71.41275	4.0
72.08157	3.8
79.05495	20.0
81.03419	100.0
81.07062	26.9
83.04987	13.3
83.08616	24.0
85.02898	20.5
85.06534	4.3
86.09703	3.3
91.05482	46.8
92.05835	2.0
93.07040	18.0
95.04971	34.8
95.08607	11.2
97.02886	6.0
97.06546	6.6
97.10162	3.6
98.97596	6.1
99.04454	3.0
100.11275	2.2
105.07034	24.8
107.04974	11.1
107.08589	10.4
108.72934	1.8
108.91756	1.8
109.06494	8.8
109.10139	5.5
111.04459	4.2
111.05573	14.2
111.08073	11.3
115.05486	1.9
116.07079	8.9
116.98625	4.3
117.07002	3.9
119.08586	19.5
121.06503	5.2
121.10131	10.3
123.04433	2.2
123.11681	2.6
124.03927	3.9
126.05504	2.0
127.03889	2.7
128.06117	2.7
129.06975	11.4
131.04901	3.4
131.08565	11.6
133.06468	4.3
133.10115	8.0
134.99652	3.3
135.08067	2.9
135.11652	3.8
137.06009	3.2
137.09572	2.7
139.07533	2.8
142.07724	2.6
143.08612	3.1
145.10104	6.4
147.04408	3.2
147.08104	2.9
147.11685	14.4
149.09608	5.5
150.05507	19.2
151.11169	1.9
155.08565	2.1
157.06432	2.7
157.10101	14.7
159.11708	2.5
161.05981	7.1
162.06659	2.0
163.03894	4.2
165.07025	6.9
165.12764	4.5
167.07056	7.4
169.10080	3.2
171.11717	2.0
173.13261	3.1
175.11208	18.8
181.06482	2.6
182.07343	3.5
183.11745	2.5
185.13234	3.2
187.07593	3.1
193.06421	4.1
193.12242	61.2
195.07974	2.2
201.00722	5.4
201.05440	3.8
210.06767	6.9
211.13214	13.4
214.15285	2.1
219.01778	3.6
221.05986	7.0
225.09094	18.1
229.05032	11.4
238.06157	2.1
249.18539	2.1
253.08571	23.5
257.04666	8.7
267.16760	15.8
268.10950	8.6
268.61096	3.9
276.62180	2.7
285.03995	32.8
285.07782	3.4
285.11133	24.7
285.17236	13.7
285.21820	3.3
285.29840	3.0
291.03806	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01865	4.0
55.05511	10.8
57.03437	7.5
57.07062	2.5
63.00050	0.9
65.03948	1.2
67.05501	25.1
68.87965	0.8
69.03442	4.2
69.07066	15.2
70.08936	4.2
71.04991	6.6
71.08629	1.4
72.08137	1.2
76.89610	0.9
79.05489	19.6
81.03416	100.0
81.07056	22.1
83.04974	9.2
83.08618	26.5
85.02902	5.1
85.06543	1.9
91.04962	1.5
91.05480	20.2
93.07049	17.1
95.04967	29.3
95.08597	12.4
97.02889	3.7
97.06536	5.9
97.10188	1.9
99.08125	1.8
105.07027	17.6
107.04942	7.8
107.08588	12.5
109.06503	5.6
109.10166	8.0
111.04491	1.6
111.08074	13.3
111.11710	1.0
113.06018	1.5
115.05437	2.0
117.07021	1.3
119.04987	1.3
119.08584	16.5
121.06511	2.6
121.10136	10.5
123.04408	2.6
123.08090	2.3
123.11706	3.4
125.05997	2.1
125.09679	1.5
129.07005	8.8
131.08568	11.0
133.06496	3.1
133.10117	9.5
135.08043	1.6
135.11684	8.8
137.05952	1.5
137.09627	2.0
141.75740	0.9
142.07788	2.6
143.08525	2.3
145.10114	3.3
147.08032	3.6
147.11674	10.4
149.09633	5.8
149.13243	1.8
153.12805	1.2
157.10118	13.1
159.11693	1.9
161.05980	2.7
165.07004	2.6
165.12766	2.6
169.10149	1.4
171.11702	2.3
173.13261	1.2
175.11195	12.8
183.11734	2.1
185.13213	1.2
187.14734	2.3
189.12756	1.2
189.16400	4.3
193.06543	2.3
193.12234	55.8
197.13245	2.1
199.14815	1.6
203.17955	2.5
207.17424	1.0
210.06709	1.5
211.13252	8.6
213.16383	2.8
221.05959	2.5
225.09099	5.4
225.18584	1.3
231.17424	2.4
239.18051	2.0
249.18539	4.0
250.21634	1.1
253.08597	9.6
267.15909	16.2
267.19611	4.7
285.04074	2.0
285.07840	1.8
285.11343	7.6
285.16800	8.4
285.20886	7.4
285.25098	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70768	0.9
52.57095	1.0
53.03936	2.4
55.01854	1.5
55.05514	11.0
55.55238	1.1
56.96560	1.8
57.03439	7.6
57.07059	2.5
65.03927	1.3
67.05176	1.6
67.05506	22.7
69.03432	7.0
69.07063	8.3
69.35789	11.5
70.74858	1.1
71.04975	4.7
72.59532	1.0
79.05493	16.8
81.03417	100.0
81.07055	24.7
83.04971	8.5
83.08617	23.5
85.02905	11.0
85.06537	2.9
86.09715	1.5
91.05473	22.0
92.96017	1.0
93.07050	17.9
95.04968	28.7
95.08607	15.0
97.02882	5.3
97.06518	5.2
97.10162	2.6
99.04450	2.0
100.11241	2.0
104.49084	1.1
105.06389	2.1
105.07033	27.1
107.04961	8.9
107.08598	12.5
109.06522	6.7
109.10162	10.1
111.04457	5.1
111.08082	12.5
115.05446	2.1
116.98656	1.7
117.07007	4.5
117.17008	1.0
119.08582	27.8
121.06479	4.3
121.10140	14.2
123.08048	3.1
123.11713	2.5
125.05987	1.4
125.09635	3.0
127.03885	1.3
127.07527	1.3
128.06270	1.6
129.06993	11.4
131.08569	16.0
133.06473	4.7
133.10139	16.7
134.99605	1.8
135.08031	1.7
135.11670	3.9
137.05989	2.1
137.09598	3.3
142.07765	5.3
143.08574	5.7
145.10118	11.0
145.41014	1.1
147.08040	4.0
147.10649	1.3
147.11693	13.9
149.09572	5.6
151.11255	2.4
155.08545	2.9
157.10129	19.3
159.11658	8.3
161.05992	7.6
161.09550	2.6
161.13257	3.0
163.11153	2.0
165.06985	6.2
165.12741	3.1
169.10104	5.6
171.11708	7.6
173.13234	5.7
175.11174	15.3
175.14778	1.4
177.12759	2.3
181.10170	1.7
181.12233	1.7
182.07254	2.8
183.11775	5.5
183.13240	1.1
185.13287	5.6
187.07498	1.4
187.11139	1.3
187.14766	5.2
193.06490	6.6
193.12242	63.7
197.13219	3.0
199.14764	3.8
201.12891	1.3
203.14265	1.7
210.06705	4.3
211.11246	2.0
211.13197	13.6
211.14870	1.6
213.12617	1.8
213.16354	3.0
215.10638	2.4
219.13632	1.4
221.06047	7.2
223.14842	1.6
224.03612	2.7
225.09145	18.4
225.16341	4.8
227.18011	1.3
229.12256	1.6
229.15797	2.1
239.02408	1.7
239.06734	1.3
239.17921	4.0
241.19307	1.1
243.08942	1.3
249.14732	2.1
253.08594	27.1
254.09128	2.0
257.03741	1.7
257.06949	2.2
257.22702	1.9
267.15640	16.3
267.21082	4.7
268.10931	2.6
270.08823	1.3
275.05780	1.2
285.03897	3.3
285.07614	3.3
285.11191	23.6
285.18353	19.2
285.22092	17.8
286.11508	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03938	3.4
55.01860	5.0
55.05511	20.9
57.03436	52.0
57.07066	2.1
64.60643	1.4
67.05176	2.6
67.05506	38.2
67.91066	1.8
69.03409	4.6
69.07065	12.2
70.65363	2.6
70.65716	4.9
71.04992	11.6
71.48386	1.5
79.05074	2.1
79.05492	34.0
81.03419	75.5
81.07059	45.4
82.03651	1.6
83.04980	17.5
83.08142	2.9
83.08615	32.6
85.02904	75.9
85.06550	2.4
87.04424	2.3
91.05481	42.5
93.07041	27.8
95.04974	37.9
95.08046	2.5
95.08599	18.3
97.02865	5.2
97.06496	7.2
97.10168	4.5
99.08102	2.2
105.07031	27.6
107.04939	6.6
107.08583	16.2
109.06512	6.9
109.10149	6.3
111.04431	4.1
111.08092	16.4
113.05973	5.7
115.05503	2.1
117.06993	4.0
119.08579	30.7
121.06495	2.0
121.10128	15.5
123.08048	4.0
123.11703	4.1
129.07025	12.1
131.08569	19.4
133.06454	2.0
133.10139	17.8
135.11729	2.5
137.09596	3.3
142.07764	3.8
145.10109	5.4
147.08035	4.5
147.11681	24.4
149.09639	10.0
149.13214	2.2
155.08585	2.3
157.10146	23.0
158.42831	1.9
158.58026	1.9
159.11636	5.8
165.12720	5.6
171.11610	2.2
173.13235	2.4
175.09755	2.5
175.11192	27.3
185.13235	2.1
189.16310	2.1
193.12251	87.4
194.12450	2.0
201.16393	2.0
211.13277	78.3
211.15250	4.0
219.58513	2.0
223.37737	1.8
225.16475	2.9
252.49094	1.8
257.22409	2.1
257.90280	1.7
267.15799	2.2
267.20990	2.5
285.16919	100.0
285.21613	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.2
55.01857	6.2
55.05517	27.0
57.03191	3.6
57.03436	48.1
57.07074	4.3
60.73397	2.9
61.52565	2.6
67.05504	35.6
69.03417	5.3
69.07041	12.2
69.40566	28.9
71.04978	11.4
71.26952	2.5
76.03457	2.7
79.05141	2.6
79.05493	33.3
81.03413	91.1
81.07056	55.1
83.04976	19.8
83.08619	45.0
85.02902	86.6
85.06538	6.3
91.05472	45.2
93.07037	33.7
95.04377	3.1
95.04964	46.7
95.08599	27.8
97.06509	8.2
97.10137	6.8
105.07038	35.0
105.97414	2.7
107.04915	8.8
107.08595	19.5
109.06476	6.2
109.10133	10.7
111.04432	5.2
111.08086	21.8
113.05997	8.6
119.08588	46.9
121.10149	19.8
123.08024	7.3
123.11665	7.8
129.06993	17.1
131.08588	21.3
133.06468	4.1
133.10150	19.8
142.07735	3.8
143.08545	4.8
145.10112	13.1
147.08014	6.0
147.10635	4.7
147.11684	41.5
149.09581	11.6
157.10126	26.3
159.11647	11.5
165.12743	10.2
171.01239	3.8
171.11649	5.4
173.13168	5.4
175.11169	28.8
175.14877	4.4
183.11691	4.3
185.13153	3.3
187.14819	7.6
193.12231	97.9
199.14844	5.9
211.13287	84.8
211.15219	5.0
225.16238	4.5
257.22626	6.4
267.21075	7.9
285.07721	5.3
285.14041	5.9
285.16937	100.0
285.21875	39.6
285.29779	6.1
285.33060	3.6
286.17380	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01866	2.1
55.05515	7.9
57.03440	7.2
57.07085	1.2
66.54325	0.7
67.05507	14.7
69.03425	2.6
69.07061	5.2
70.31094	0.7
70.74804	0.7
70.97857	1.0
70.98191	1.8
71.04988	2.5
72.08150	0.7
75.46127	0.7
77.32424	0.7
79.05062	1.0
79.05499	14.6
81.03420	100.0
81.07059	14.8
82.03783	0.8
83.04988	7.9
83.08625	22.5
85.02911	5.2
85.06552	1.5
91.05477	16.6
93.07054	11.8
95.04972	28.2
95.08610	7.4
97.02905	3.0
97.06552	3.7
97.10190	1.1
98.03271	0.7
98.20837	0.8
99.08133	1.6
103.05492	1.0
105.07038	14.1
107.04984	6.8
107.08598	6.3
109.06525	3.2
109.10134	4.2
111.04426	2.1
111.08084	9.8
112.72919	0.8
113.05991	1.0
113.77715	0.7
115.05449	0.9
117.07018	1.5
119.08588	13.8
121.06482	2.3
121.10133	6.9
123.04418	1.3
123.08090	1.8
123.11720	1.6
125.09628	1.5
129.07016	7.4
131.08569	8.0
133.06494	3.2
133.10139	5.9
134.99658	0.7
135.11688	2.3
137.09660	1.7
142.07791	2.6
143.08589	1.5
144.05782	0.8
145.06435	1.0
145.10147	4.9
147.08052	3.1
147.11676	9.3
149.09630	5.1
155.08521	1.2
157.10133	9.8
159.11655	1.3
161.05962	2.4
161.13199	1.1
165.07002	3.3
165.12685	1.2
169.10103	1.5
171.11681	1.8
173.13272	1.1
175.11194	12.4
183.11667	1.7
185.13269	2.1
187.14853	1.9
193.06487	2.6
193.12248	56.7
197.13318	1.0
199.14859	2.9
210.06755	2.2
211.07712	0.8
211.13225	6.8
211.14941	0.9
213.16440	1.5
221.06009	3.1
225.09160	4.9
225.16371	1.0
227.17929	1.1
238.06123	1.3
239.17911	1.3
249.18588	0.9
253.08557	9.5
267.15845	16.8
267.20731	1.6
267.24136	1.2
285.03839	2.2
285.07822	1.3
285.11230	8.2
285.17111	5.4
285.21988	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03935	2.6
55.01844	3.2
55.05507	23.2
56.96542	1.5
57.03434	24.9
57.07048	2.7
67.05499	27.0
69.03412	6.4
69.07063	10.6
71.04987	6.7
71.05289	1.3
71.08600	1.1
71.59274	1.7
79.05485	22.0
81.03413	100.0
81.07050	32.5
83.04977	21.6
83.08160	1.8
83.08613	28.8
85.02901	46.4
85.06506	3.3
87.04431	1.1
91.05474	26.8
93.07046	17.5
95.04373	2.1
95.04961	34.3
95.08608	15.7
97.02849	4.2
97.06535	5.7
97.10113	3.6
98.98410	1.1
99.05290	1.2
99.08061	2.0
105.06411	1.5
105.07030	23.9
107.04977	6.0
107.08596	12.5
109.06557	5.5
109.10152	9.7
111.04395	4.1
111.08092	16.6
113.05958	4.6
115.05444	1.9
117.06982	1.5
119.07821	1.6
119.08576	26.0
121.06458	2.2
121.10128	16.2
123.07991	4.1
123.11655	3.6
125.09561	2.3
129.05437	1.2
129.06987	12.6
131.07736	1.1
131.08566	15.0
133.06422	4.0
133.10126	11.4
135.08005	1.4
135.11649	2.4
137.09566	2.6
142.07713	3.3
143.08485	2.2
145.10106	5.5
147.07999	4.9
147.11676	19.2
149.09605	7.4
151.11142	1.2
155.08481	1.5
157.10115	18.0
159.11627	4.9
161.09560	3.9
161.13171	1.9
163.11139	2.4
165.12686	5.0
166.68669	1.2
169.10133	1.3
171.11588	1.8
173.09665	1.3
173.13240	2.8
175.11174	20.2
183.11632	1.6
185.09319	3.3
185.13164	2.5
187.11223	1.3
193.12234	94.9
197.13232	2.2
199.14772	2.8
201.16219	1.6
203.14287	8.8
211.13266	62.1
221.05843	1.3
225.16246	2.1
227.59880	1.3
229.14217	3.0
253.08600	2.4
257.03168	3.1
257.22549	2.3
267.15839	16.0
267.20883	2.0
285.16849	92.6
285.21951	8.9
285.29605	8.0
286.17218	1.8
297.39658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94738	2.2
67.59740	2.1
70.60024	8.4
80.71941	2.1
94.93011	54.2
109.91694	15.8
112.89604	72.2
114.89315	6.1
133.16472	2.4
133.94345	2.3
136.94017	16.4
150.91939	7.8
150.95573	27.9
174.54463	2.5
176.93484	2.1
179.06975	2.6
190.95073	83.6
194.94572	100.0
194.98303	3.7
208.97289	20.5
210.97127	6.6
238.97215	6.5
248.89595	17.3
266.96692	10.0
284.97705	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	NSC19994
Peak:m/z	Relative Intensity
55.01881	0.3
56.61384	0.3
63.32575	0.3
69.49212	0.3
70.83737	1.2
85.02905	0.5
86.87637	0.4
87.88210	0.3
97.02896	0.4
109.05122	0.8
110.03525	2.5
128.04567	1.3
130.74216	0.3
134.04597	0.4
135.03023	4.0
152.05681	100.0
153.04086	8.9
153.05965	0.5
250.31595	0.3
257.03329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02325	0.4
53.03891	0.7
55.01816	0.9
55.02043	0.4
55.05434	4.8
55.05722	0.8
56.04968	0.8
56.96503	0.4
57.03357	1.3
57.03609	0.6
57.07013	0.8
58.06516	4.9
58.06832	1.0
67.05414	10.7
67.05814	1.4
69.03352	1.2
69.06976	3.5
70.06500	2.7
70.21057	2.1
71.04904	1.3
71.05252	0.5
72.08089	0.9
79.05396	8.7
81.03317	5.5
81.06963	11.9
81.07476	0.9
82.06500	0.7
83.04895	1.2
83.08527	2.9
83.57094	0.4
84.08064	1.4
85.02814	1.3
85.06448	1.2
90.05446	1.5
91.05383	6.2
93.07043	11.6
93.07913	0.5
94.07287	0.6
95.04971	3.2
95.08607	12.3
95.09161	0.7
96.08089	0.7
96.08828	0.8
97.02814	1.2
97.06487	0.7
98.09679	2.9
99.04400	0.6
105.07033	4.9
107.04908	1.0
107.08607	4.9
108.08825	0.6
109.06452	0.8
109.10142	2.8
111.04360	0.6
111.07989	1.4
112.07491	1.2
116.07028	1.0
116.98604	0.5
117.06949	0.8
119.04831	0.5
119.08578	5.6
121.02799	0.9
121.06435	0.6
121.10153	4.0
123.08018	0.5
123.11616	1.2
124.11247	3.2
127.03861	0.7
129.06870	0.7
130.46414	0.4
131.08441	1.4
132.04327	0.8
133.10136	3.4
135.11714	2.3
137.05925	0.5
138.12744	0.9
140.07007	0.5
140.14232	0.4
143.08490	0.8
145.09984	1.2
146.10402	0.9
147.11737	2.8
149.09583	0.5
149.13184	1.1
150.09894	0.8
150.12624	0.7
151.06105	0.7
152.14256	0.8
157.10016	1.5
159.11636	1.0
161.05907	0.7
161.13173	1.8
164.11469	0.7
164.14218	0.5
165.06937	0.9
173.13226	0.4
175.11118	1.5
175.14763	1.0
177.05501	0.5
177.12888	0.6
181.06377	0.5
182.07271	0.4
182.12410	0.5
183.11630	0.5
192.10890	0.5
193.12260	3.2
206.19115	1.5
210.06743	0.7
211.13136	0.5
220.44533	0.4
221.06107	1.0
222.22252	0.4
225.09097	1.1
229.05026	0.8
248.23758	12.7
249.15007	0.7
253.08687	2.4
257.04413	1.9
266.24802	100.0
267.15927	1.2
267.25143	4.9
269.07813	0.5
284.10495	1.0
284.15750	1.8
284.20999	0.8
284.25870	27.6
284.29340	2.8
285.03992	1.3
285.11008	2.7
285.16547	2.3
285.21893	0.8
285.26117	1.2
302.12488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0988
Annotation	NSC19994
Peak:m/z	Relative Intensity
51.35363	0.5
51.92976	0.4
52.36842	0.5
55.05505	2.0
56.96558	1.8
57.03434	1.2
57.07072	1.0
59.04993	2.0
60.08126	0.5
61.02922	4.7
68.05029	3.4
69.03419	0.9
69.07049	2.5
70.06590	8.5
71.01346	0.9
71.04992	6.4
71.08630	0.6
71.58215	1.1
72.08152	6.6
73.02912	0.8
79.05486	1.2
81.03431	1.0
81.07055	10.6
82.04045	0.6
82.06568	0.8
84.08134	0.8
85.02903	2.1
86.09681	1.1
87.08082	1.5
87.09199	0.6
93.07027	0.6
95.06087	74.0
97.02858	1.2
97.07639	7.0
98.97581	0.7
109.05138	0.9
109.07612	0.8
110.03524	1.1
110.07153	1.4
113.09631	0.9
116.07106	1.2
116.98649	1.0
118.08633	0.7
122.09643	1.7
125.04594	1.0
126.07787	1.0
127.05328	0.6
127.06145	3.0
128.04579	0.7
135.03090	0.7
136.06184	36.5
137.04572	2.0
137.08002	0.6
141.10214	2.2
149.10753	0.7
151.06174	1.0
151.12302	16.2
152.05666	46.6
153.04074	2.2
154.07242	2.3
163.03934	0.7
167.11768	2.5
169.09726	2.4
174.46362	0.5
177.00775	0.7
178.07272	0.6
179.58224	0.6
193.08501	0.6
193.13368	14.4
201.00702	0.7
208.10774	1.2
213.12383	1.6
225.15970	67.7
226.06015	0.6
252.09891	0.7
252.20697	5.2
255.04005	0.6
266.08765	1.0
284.09769	8.7
284.12512	2.4
284.16357	1.9
284.23322	100.0
284.29379	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	284.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42752	2.9
53.03942	7.9
55.01868	4.1
55.05505	4.1
57.03426	6.5
57.07060	2.5
61.02922	6.8
67.05506	3.5
69.03429	30.8
69.92583	2.5
71.04993	5.5
73.02911	10.1
73.88142	3.0
76.76271	2.9
81.03417	25.8
81.07066	4.0
83.04984	20.2
84.04522	14.6
84.78748	3.2
85.02910	82.1
87.00837	33.4
88.79311	2.5
92.73280	2.8
93.07077	2.7
95.08593	4.1
97.02894	67.1
99.04455	15.1
105.01871	62.9
105.07041	3.4
105.19655	2.6
108.04517	6.6
109.02881	20.9
111.04433	4.4
115.03931	4.1
117.01874	3.5
124.42702	2.4
126.05482	7.7
127.03918	100.0
127.51557	2.7
129.01836	6.5
145.04965	86.0
159.02895	23.0
213.03944	3.8
225.09155	3.2
231.05013	36.5
248.07611	6.2
249.06087	15.4
253.08688	8.0
269.62064	3.1
284.10245	8.5
284.20865	3.6
284.29449	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	284.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01874	7.5
55.05497	3.4
57.03436	6.6
60.04507	1.6
61.02936	6.4
67.05510	1.3
68.99775	2.3
69.03079	2.1
69.03429	34.0
69.07051	3.0
71.04998	8.0
71.11871	2.1
71.12180	1.3
72.18836	1.2
73.02919	10.6
74.14531	1.1
76.03990	1.4
81.02982	2.1
81.03415	27.7
81.07044	3.7
83.04971	4.6
83.08588	1.8
84.04499	1.9
85.02902	91.2
87.00826	40.9
87.04461	1.6
91.03938	2.2
93.07009	2.4
95.08604	3.8
96.08948	1.9
97.02891	54.8
99.04446	16.6
101.28108	1.3
105.01862	60.7
105.02571	2.9
105.07061	1.3
107.08567	2.1
108.04487	8.7
109.02881	29.8
109.10143	3.3
111.04420	1.7
115.03931	2.5
117.01836	3.7
119.08550	1.5
123.11661	1.2
126.05512	7.2
127.03912	100.0
127.69599	1.2
129.01825	3.4
145.04958	77.4
147.02895	3.6
158.00963	1.2
159.02898	27.0
177.03915	1.8
189.03929	2.3
213.03926	3.9
230.06497	2.6
231.04984	33.4
235.95511	1.5
236.15094	1.4
248.07640	7.0
249.06084	13.2
253.08609	1.8
266.08612	2.4
270.45746	1.3
284.09775	7.0
284.20914	3.4
284.26294	1.9
284.29495	4.4
285.11072	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2631
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
51.82065	0.8
53.03930	2.7
55.01871	7.1
55.05508	100.0
56.05837	1.0
56.96559	1.2
57.03437	5.1
57.07072	19.5
57.48817	0.9
59.05001	1.5
60.14191	0.8
67.05502	24.9
69.03433	4.8
69.07066	95.0
70.07389	1.1
71.04993	8.8
71.08630	7.1
71.59336	0.9
73.06543	0.9
79.05488	18.6
81.03428	1.1
81.07054	66.0
83.01291	1.5
83.04990	7.1
83.08615	60.2
84.08944	1.1
85.02878	1.3
85.06540	6.9
85.10154	2.9
91.05473	9.6
93.07040	41.8
94.07349	1.7
95.04945	4.1
95.08604	71.3
96.08923	2.4
97.02885	3.0
97.06518	13.6
97.10166	70.4
98.10477	1.3
98.97555	2.2
99.04463	2.0
99.08079	3.9
101.05993	1.1
105.07007	6.7
107.04953	4.1
107.07862	2.0
107.08589	39.2
109.06499	3.0
109.10149	40.4
111.04412	2.1
111.08069	7.7
111.11707	8.8
113.09657	4.9
116.98607	1.8
117.06996	3.8
119.04959	1.1
119.08566	6.7
120.22074	1.0
121.02840	2.8
121.06478	3.3
121.10136	34.3
121.58736	0.8
122.10450	1.5
123.08052	2.2
123.11703	22.8
125.09621	13.2
125.13270	2.9
127.11156	3.1
129.12753	1.2
130.07780	0.9
131.08537	1.7
133.06451	0.9
133.10094	2.2
135.08086	1.5
135.11685	33.4
136.11963	1.1
137.13251	9.5
139.11157	10.8
145.10129	9.9
147.04416	1.2
147.11633	1.9
149.13264	19.3
151.07622	0.9
151.14813	6.5
153.12749	17.1
155.14302	0.8
157.10258	1.2
159.11607	1.5
161.13271	1.3
163.11172	21.1
163.14810	10.4
164.11551	1.1
165.09142	0.9
165.16373	5.2
167.14301	2.7
169.10097	1.9
171.11696	2.0
173.09579	1.4
173.13181	1.3
177.00723	1.2
177.16351	10.3
179.17918	3.5
181.12247	6.1
183.11786	1.2
183.17448	1.7
185.13301	1.9
191.17943	15.5
193.19438	1.5
207.21033	1.4
209.11649	1.0
209.18997	17.8
210.19363	1.0
219.17261	1.1
227.12770	30.6
228.13171	1.3
239.17976	1.2
247.17009	1.1
247.24190	33.2
265.25262	73.8
266.25415	4.2
283.09845	2.2
283.12350	1.8
283.15271	28.7
283.20184	6.9
283.26273	35.3
284.15549	1.2
284.26538	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
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
55.05503	6.3
56.96558	1.1
57.03429	1.0
57.07058	1.9
67.05502	9.2
69.03430	1.9
69.07056	7.4
71.04971	1.9
71.49874	1.6
76.03373	1.0
79.05483	5.1
81.07065	10.4
83.04974	1.8
83.08588	3.5
85.06487	1.5
89.06031	1.4
91.05481	5.0
93.07045	7.2
95.04965	6.3
95.08606	13.5
97.06501	3.3
97.10165	1.8
105.07027	9.7
107.04960	2.0
107.08594	11.1
109.06505	2.0
109.10135	8.0
111.08064	1.3
117.06987	3.0
119.08573	13.6
121.06495	2.4
121.10154	11.9
123.08051	3.9
123.11693	3.9
125.09608	1.6
128.06230	1.2
129.07008	2.1
131.08554	8.1
133.10138	7.8
135.08025	3.1
135.11676	3.3
137.09529	1.3
141.07004	1.4
142.07759	2.9
143.08580	6.1
144.09319	2.2
145.06468	2.0
145.10106	14.5
147.08112	1.5
147.11674	3.9
149.09628	2.0
155.08540	2.8
156.09377	5.5
157.10139	12.3
158.10809	1.2
159.08087	2.5
159.11676	13.6
161.09605	2.2
161.13251	3.9
163.11172	2.1
165.07014	1.4
167.08574	3.0
169.10089	8.3
170.10884	4.5
171.08035	4.0
171.11696	17.8
172.08720	1.1
173.09653	5.2
173.13245	8.0
175.11084	3.4
175.14807	2.0
181.10118	3.5
183.11693	7.9
184.12395	1.7
185.09630	3.8
185.13255	15.4
187.11140	4.0
187.14809	9.1
189.12738	2.5
193.10051	1.8
194.10817	1.3
195.11691	6.7
197.13225	7.9
198.10481	1.1
199.11145	6.2
199.14806	10.3
201.12758	2.0
201.16389	5.8
208.12418	1.9
209.13272	9.1
211.11198	1.2
211.14796	4.1
213.12746	6.1
213.16339	5.2
215.14346	1.2
221.13136	1.5
223.14793	6.7
224.15375	1.4
225.16470	2.9
226.13425	1.1
227.14310	4.5
237.16389	2.8
239.17911	9.4
241.15804	3.2
241.19563	6.6
250.17238	1.5
255.17653	1.0
255.18480	1.4
255.21065	12.4
265.19476	13.0
266.04099	1.4
276.97638	1.0
283.20538	100.0
284.20801	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	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
50.86932	1.1
54.15959	1.2
55.05255	1.0
55.05502	5.8
57.07053	3.4
65.03948	1.8
67.05505	9.1
69.03437	2.9
69.07063	8.4
70.64072	2.5
70.64456	4.5
71.04984	4.2
71.66756	1.2
76.40862	1.1
76.46310	1.2
79.05506	6.8
81.07074	15.0
83.05019	1.5
83.08615	3.5
91.05483	9.4
93.07049	13.2
95.04959	6.3
95.08604	14.0
97.06509	3.1
97.10156	1.5
105.07025	19.6
107.08591	13.6
109.06494	2.0
109.10179	8.0
117.07020	5.1
119.08576	21.1
121.06507	4.1
121.10143	18.1
123.08028	3.3
123.11697	3.2
128.06212	1.9
129.07014	4.9
130.07747	1.4
131.08569	14.7
133.10127	12.3
135.08037	3.7
135.11697	3.5
142.07741	2.9
143.08556	10.7
145.10124	22.7
147.08043	2.9
147.11690	6.2
155.08594	3.8
156.09329	3.8
157.10115	14.0
158.10847	3.5
159.08058	2.9
159.11679	16.1
161.09625	7.7
161.13219	3.0
163.11256	2.7
165.07016	1.6
169.10117	7.6
170.10889	6.3
171.08099	2.0
171.11696	20.1
173.09677	3.5
173.13254	27.4
175.11189	3.0
175.14790	2.8
179.08606	3.4
181.10135	4.3
183.11732	10.0
185.09621	3.6
185.13278	16.9
187.11194	2.7
187.14822	8.0
189.12794	2.2
193.10123	1.6
194.10898	3.8
195.11649	7.7
197.13356	8.0
199.11159	2.1
199.14853	8.6
201.12753	2.7
201.16376	3.4
208.12469	3.9
209.13278	14.0
210.14001	3.6
211.14713	2.0
213.12761	4.8
213.16418	4.3
222.14096	1.4
223.14815	8.8
224.15608	1.8
225.16447	6.7
227.14354	5.9
235.14842	1.5
237.16380	1.7
239.17949	6.0
241.15900	2.1
241.19562	4.9
252.11571	3.7
255.21120	11.8
265.19559	19.0
283.20578	100.0
284.20871	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
50.08041	0.9
50.20026	0.9
55.01855	1.2
55.05511	7.0
57.07060	2.6
66.02852	0.9
67.05517	6.0
69.03411	1.2
69.07069	6.3
70.23472	4.7
79.05486	3.5
81.07059	9.1
81.72591	1.0
82.97001	1.0
83.04960	1.4
83.08610	3.2
86.28391	0.9
91.05453	4.5
93.07059	5.5
95.04974	4.9
95.08611	9.6
97.06528	2.6
97.10155	4.2
98.20864	1.0
99.08059	1.8
105.07036	9.1
107.08584	7.6
109.06499	1.4
109.10152	6.9
115.05405	1.3
117.07010	2.6
119.08569	19.9
120.08891	1.1
121.06536	1.2
121.10141	4.0
121.29531	0.9
123.08088	1.4
123.11704	4.9
128.06223	2.1
129.06972	3.0
131.08568	4.2
133.06543	1.2
133.10129	7.9
135.08005	1.4
135.11670	2.6
139.24519	0.9
141.06953	1.4
142.07774	3.6
143.08586	8.5
144.09363	1.4
145.10124	14.7
147.11676	3.6
149.13168	1.4
153.07065	1.2
154.07813	1.3
155.08522	5.6
156.09375	6.4
157.10132	15.9
158.10855	1.5
159.07983	1.0
159.11702	18.6
161.09633	1.8
161.13231	2.5
165.07030	1.4
167.08571	2.0
168.09335	1.3
169.10118	16.5
170.10948	5.5
171.08054	1.3
171.11688	23.6
173.09648	2.7
173.13243	9.0
175.11179	2.7
179.08531	2.0
180.09470	1.0
181.10124	4.5
182.10800	1.1
183.11691	12.1
184.12489	1.4
185.09702	4.5
185.13261	18.4
187.11174	3.7
187.14825	5.4
189.12755	1.8
193.10066	2.6
194.10904	2.1
195.11708	9.1
196.12480	1.7
197.13223	7.5
199.11168	3.5
199.14803	10.9
201.12764	1.8
201.16296	4.8
205.59177	0.9
207.11760	1.8
208.12509	2.2
209.13257	12.9
210.13849	2.9
211.14832	3.7
213.12749	5.1
213.16383	3.6
221.03279	1.0
221.13280	2.0
222.14023	1.3
223.14774	6.9
224.15526	1.5
225.16351	3.1
227.14384	5.9
227.17854	1.1
235.14838	1.7
237.16473	2.1
239.17917	10.6
241.15831	2.6
241.19531	5.2
248.69569	1.1
250.17017	1.5
255.17361	1.2
255.18495	1.2
255.21066	11.4
265.19501	18.3
265.22122	1.5
283.20560	100.0
284.20908	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	283.2058
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03943	0.7
55.05525	5.8
56.96571	4.2
57.07053	3.0
59.04985	1.9
67.05515	5.9
69.03416	2.5
69.07068	6.3
69.38182	7.0
71.04990	0.7
71.08635	0.8
79.05502	3.4
81.07064	8.1
83.04975	1.4
83.08615	2.2
91.05473	4.8
93.07044	6.4
93.24944	0.8
95.04988	3.2
95.08611	9.9
97.06514	2.7
97.10190	2.0
98.21478	1.2
99.08077	2.1
103.69858	0.8
105.07030	7.6
107.08599	8.3
109.06526	1.0
109.10159	5.7
111.08061	0.8
115.05491	0.8
117.07006	2.5
119.08582	19.2
121.06487	1.7
121.10134	5.9
121.28242	0.7
123.08045	1.7
123.11667	3.5
125.09636	0.9
128.06229	1.9
129.07008	1.8
130.07791	1.0
131.08595	6.1
133.06522	1.2
133.10126	7.0
135.08116	0.7
135.11682	2.1
141.06975	1.4
142.07722	3.5
143.08589	6.6
144.09312	1.9
145.10121	12.2
147.08052	1.4
147.11681	3.3
149.13266	1.7
151.11166	1.4
155.08554	3.0
156.09343	4.7
157.10130	12.4
159.08064	1.7
159.11705	17.2
161.01244	10.2
161.09601	2.4
161.13271	2.8
163.11121	0.8
165.07031	0.8
167.08553	1.3
169.10129	6.2
170.10886	4.4
171.08200	1.0
171.11700	19.5
172.12360	0.8
173.09639	2.9
173.13280	8.9
174.23306	0.7
175.11192	2.2
177.12750	0.7
179.02249	6.1
179.08615	1.5
181.10117	3.0
182.10939	1.6
183.08130	0.8
183.11693	7.3
184.02840	3.2
184.12381	1.0
185.09628	3.0
185.13272	14.5
186.13892	1.4
187.11185	2.5
187.14824	10.6
193.10138	2.5
194.10931	1.3
195.11699	5.9
196.12448	1.2
197.13266	7.9
199.11229	2.7
199.14847	10.8
201.12718	2.1
201.16298	3.2
202.03864	1.8
207.11801	1.2
208.12489	1.6
209.13272	9.6
210.14034	2.4
211.14890	2.5
213.12816	5.1
213.16412	4.5
215.14244	1.2
221.13179	1.2
223.14842	8.6
224.15497	0.9
225.16405	2.7
227.14316	4.8
227.18114	0.8
235.14864	1.0
236.15636	0.8
237.16391	1.9
239.17937	8.6
241.15871	3.0
241.19482	6.2
250.17244	1.2
255.21133	10.6
256.21539	1.0
265.19534	13.1
265.22147	1.1
283.20569	100.0
284.20938	6.4
287.03894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
50.11707	0.5
55.05516	3.7
55.81993	0.7
57.07082	1.0
65.03975	0.6
67.05504	3.5
69.07073	3.4
71.61316	0.6
71.61748	1.1
71.89433	0.6
72.26231	0.6
75.73562	0.6
79.05469	2.6
81.07067	5.6
83.08624	1.4
89.68213	0.8
89.99003	0.6
91.05465	2.6
93.07025	2.9
95.08615	5.5
95.25220	0.6
97.06541	0.8
105.07039	3.3
107.04984	0.8
107.08591	4.7
109.10145	1.8
117.07014	1.1
119.08586	9.1
121.06551	0.9
121.10139	2.2
123.11697	1.5
128.06200	1.1
129.07002	2.0
131.08572	2.2
133.10129	4.9
135.08000	0.8
135.11684	1.5
142.07770	2.4
143.08563	6.2
144.09297	0.9
145.10110	6.0
147.11662	2.4
155.08545	3.7
156.09361	5.2
157.10126	13.1
158.10788	1.5
159.11697	12.5
161.09612	1.3
161.13266	0.9
165.06958	1.1
167.08617	1.7
168.09363	1.4
169.10130	14.9
170.10919	6.7
171.08116	1.5
171.11688	17.6
173.09628	2.1
173.13266	8.4
175.11180	0.7
179.08533	1.0
181.10091	4.2
182.10875	1.1
183.11690	9.4
184.12444	2.6
185.09714	3.6
185.13264	22.0
186.10361	0.8
187.11154	1.8
187.14848	8.2
189.12680	0.9
193.10115	1.2
194.10915	1.7
195.11705	6.4
197.13280	8.6
199.11226	3.7
199.14822	16.6
201.12642	0.9
201.16376	8.1
207.11755	1.5
208.12459	1.3
209.13271	10.0
210.13979	1.5
211.11304	0.7
211.14801	3.4
212.15584	1.0
213.12778	4.6
213.16333	4.3
221.13268	2.0
222.14099	1.2
223.14806	6.6
225.16409	1.6
227.14304	5.0
227.17894	0.9
235.14818	1.5
236.15686	1.5
237.16438	4.4
239.17972	11.7
241.15862	2.2
241.19518	9.4
250.17169	1.7
255.17484	1.2
255.18079	0.8
255.21080	18.3
256.21460	0.9
265.19525	16.9
283.20575	100.0
284.20911	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	283.2055
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
52.25591	0.8
55.01873	1.0
55.05513	6.4
55.24833	0.8
57.03423	1.3
57.07056	2.8
67.05498	6.1
69.03415	2.4
69.07072	6.2
69.44026	7.3
71.04996	1.2
71.08623	1.0
75.87833	0.8
79.05487	3.5
81.03416	1.5
81.07059	8.9
83.04974	3.4
83.08604	3.8
84.04491	2.1
85.02902	2.4
85.06525	0.9
91.05463	2.7
93.07019	4.7
95.08604	8.7
97.02875	3.0
97.06516	1.9
97.10159	2.2
99.04471	1.3
105.07028	5.7
107.04963	1.1
107.08580	4.3
109.06477	1.4
109.10146	4.4
111.04456	1.6
117.07011	2.1
119.08573	7.5
121.02835	1.4
121.06538	0.9
121.10152	4.3
123.08065	1.5
123.11701	1.1
126.05532	1.3
127.03908	2.1
129.07039	1.3
130.07809	0.9
131.08568	3.7
133.06462	0.9
133.10143	4.3
135.11682	2.0
137.09540	0.9
137.13196	0.9
141.06976	1.9
142.07809	2.4
143.08548	4.5
145.10121	7.6
147.11681	3.0
149.13281	1.4
151.07559	1.3
154.07777	2.2
155.08577	6.3
156.09329	3.7
157.10118	11.9
159.11708	9.5
161.09590	1.4
161.13200	2.7
163.11218	1.0
165.07010	1.7
167.08604	2.0
168.09323	2.4
169.10114	23.3
170.10861	3.2
171.08044	2.2
171.11702	12.8
173.09625	3.5
173.13243	4.9
175.11191	1.1
178.08081	0.8
179.08427	0.9
180.09326	1.9
181.10112	5.7
182.10818	1.0
183.11702	11.9
184.12450	1.7
185.09663	5.2
185.13254	13.9
186.13731	1.1
187.11142	1.1
187.14798	5.8
189.12875	1.0
193.10109	2.0
194.10918	1.8
195.11720	8.5
197.13239	8.9
199.11153	5.1
199.14816	11.2
201.12672	1.2
201.16406	8.0
207.11772	1.3
208.12505	1.7
209.13249	11.5
210.13728	1.0
211.14801	3.6
213.12766	4.0
213.16371	3.3
214.64058	0.9
221.13239	1.6
223.14833	8.3
224.15355	1.2
225.16348	4.0
227.14368	2.8
227.17891	1.0
231.04990	1.1
237.16394	3.3
239.17920	14.3
240.18410	1.1
241.15904	3.2
241.19499	7.0
247.16721	1.0
255.10048	0.8
255.21069	14.2
265.19550	14.6
265.25482	1.1
283.09668	3.5
283.20560	100.0
284.20953	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	283.2058
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
50.29666	0.8
52.66051	0.7
55.05510	4.6
57.03416	0.8
57.07063	2.0
60.12814	0.7
65.96534	0.7
67.05492	3.5
68.41871	0.8
69.07060	3.4
69.28971	8.7
79.05492	2.9
81.07048	6.8
83.04988	0.8
83.08609	2.4
84.35955	0.8
91.05486	3.0
93.07056	4.4
95.08624	6.6
95.45319	0.8
97.06537	1.5
97.10152	1.9
99.08052	0.9
105.07031	4.3
107.08591	2.9
109.10145	2.8
117.07059	1.0
117.51376	0.8
119.08582	6.9
121.10136	3.5
123.11687	1.7
128.06216	0.8
129.07042	2.6
131.08575	3.6
131.34930	0.7
133.06375	1.0
133.09264	0.8
133.10149	5.8
135.08122	0.8
135.11685	1.9
141.06975	1.6
142.02054	0.8
142.07756	2.3
143.08574	7.5
144.09323	1.1
145.10143	6.7
147.08064	0.9
147.11684	2.9
154.07761	1.4
155.08557	5.4
156.09349	4.5
157.10138	12.8
158.10918	0.9
159.11694	11.5
161.09560	1.6
161.13237	1.9
165.06978	1.4
167.08575	1.7
168.09409	1.7
169.10133	22.5
170.10887	5.3
171.08067	1.7
171.11707	19.0
172.12109	1.1
173.09616	2.2
173.13277	7.1
175.11180	1.8
179.08530	1.9
180.09265	1.2
181.10075	5.3
182.10875	1.6
183.11696	14.2
184.12468	3.2
185.09669	4.1
185.13271	19.0
186.13983	1.2
187.11211	2.2
187.14839	6.7
193.10211	1.1
194.10887	2.1
195.11662	9.8
197.13274	11.9
199.11220	2.7
199.14827	15.6
201.12773	1.5
201.16380	12.2
207.11725	2.0
208.12436	1.4
209.13263	11.3
210.13933	2.4
211.14850	3.5
213.12740	5.5
213.16382	5.3
221.13232	2.4
223.14806	7.7
224.15607	2.3
225.16418	2.3
227.14381	4.5
227.17810	0.9
235.14835	2.0
237.16422	3.6
239.17970	13.9
241.15866	2.9
241.19557	8.5
250.17308	1.0
255.17448	1.1
255.18085	1.3
255.21085	18.5
255.23581	1.4
256.21439	1.5
265.19534	14.8
283.20584	100.0
284.20880	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	283.2057
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.05515	2.9
56.06166	0.5
57.07062	2.2
64.91525	0.5
67.05502	2.9
69.07068	4.1
69.26903	0.6
69.99693	3.0
79.05482	1.8
81.07053	4.5
83.04961	0.9
83.08612	1.7
91.05474	2.6
93.07043	3.3
95.04949	0.9
95.08601	6.4
97.10115	1.0
105.07012	3.7
107.08579	4.2
109.06531	0.9
109.10158	2.2
117.06995	0.7
119.08570	6.6
121.06487	1.1
121.10133	2.7
123.08047	1.0
123.11726	0.8
129.07013	1.6
131.08543	2.6
133.06512	0.9
133.10161	3.5
135.08090	0.7
135.11723	1.6
139.08817	0.6
141.06979	1.3
142.07780	2.0
143.08565	6.1
145.10149	5.8
147.07945	1.0
147.11668	2.3
147.15582	0.7
153.06967	1.2
154.07794	1.3
155.08548	6.2
156.09401	2.9
157.10124	12.3
159.11685	10.7
161.09575	1.0
161.13242	1.4
165.06932	0.7
166.46555	0.6
167.08559	2.4
168.09337	1.5
169.10133	25.5
170.10934	4.1
171.08028	1.6
171.11691	16.3
173.09634	3.6
173.13257	7.0
175.11174	0.8
179.08504	1.2
180.09326	1.5
181.10109	5.5
182.10918	1.3
183.11685	11.6
184.12463	2.2
185.09680	5.5
185.13251	17.5
186.13850	1.1
187.11211	1.5
187.14813	6.2
189.12814	0.8
193.10081	1.8
194.10895	2.2
195.11670	8.5
196.12363	1.2
197.13284	11.1
198.10371	1.1
198.13779	0.7
199.11198	2.6
199.14815	14.4
200.11646	0.7
201.12805	1.2
201.16367	10.9
207.11667	1.7
208.12410	1.2
209.13243	10.7
210.13936	1.6
211.14796	3.8
212.15544	1.2
213.12752	4.2
213.16377	4.5
215.14439	1.0
221.13255	1.8
223.14807	8.1
224.15594	1.2
225.16347	2.7
226.13240	0.7
227.14294	5.8
227.17941	1.6
235.14696	1.4
237.16397	4.6
239.17928	16.7
241.15857	2.1
241.19499	6.4
250.17188	1.6
251.17923	0.6
255.17340	0.7
255.18156	1.0
255.21075	16.3
256.21463	0.9
265.19522	17.5
268.02444	0.6
283.20560	100.0
284.20856	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.05508	6.8
57.07055	2.7
65.39828	1.4
67.05508	8.6
69.07066	9.1
69.11397	1.4
69.98141	6.3
71.08605	1.3
79.05497	2.0
81.07056	10.2
83.08630	3.5
91.05467	4.2
93.07027	6.5
93.10799	1.3
93.17187	1.4
95.04967	5.6
95.08603	11.1
97.06530	3.0
97.10138	4.8
98.20785	1.9
99.08083	1.7
105.07006	8.3
107.08604	7.0
109.06509	1.5
109.10165	7.4
111.08055	2.1
117.07032	3.2
119.08591	17.9
121.06517	1.7
121.10143	5.0
123.11714	5.3
123.38539	1.3
128.06233	1.9
129.07004	2.5
131.08557	6.4
133.10121	8.7
135.11678	3.8
141.06993	1.9
142.07727	3.0
143.08533	9.8
145.10153	15.0
147.11702	4.0
155.08533	2.4
156.09311	3.7
157.10130	16.9
159.08122	1.4
159.11687	19.2
161.09662	2.2
161.13251	2.9
167.08549	2.8
168.09334	1.9
169.10132	4.8
170.10870	4.0
171.08115	2.2
171.11679	24.4
173.13254	9.8
175.11195	2.6
181.10146	4.5
183.11679	8.6
185.09599	4.3
185.13264	15.7
187.11220	1.8
187.14886	8.2
195.11713	7.6
197.13269	7.0
199.11169	2.4
199.14857	10.7
201.16426	2.1
209.13255	12.4
210.14096	1.7
211.14992	3.2
213.12750	6.0
213.16432	4.2
221.13283	2.0
223.14792	12.6
225.16278	3.4
227.14342	4.2
237.16521	1.9
239.17914	4.1
241.15929	2.8
241.19531	4.5
253.15700	1.5
255.21085	15.1
265.19525	17.8
283.20566	100.0
284.20911	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	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.05513	6.6
57.03421	1.0
57.07072	2.5
67.05495	6.5
69.07067	6.7
70.35409	2.1
70.35806	1.7
73.98643	0.8
74.93982	0.9
79.05489	2.9
81.07063	8.0
83.08625	3.7
91.05495	3.7
93.07065	4.7
95.04984	3.8
95.08602	7.1
97.06544	3.1
97.10180	3.3
98.20817	1.1
99.08076	2.3
105.07037	7.0
107.08598	5.8
109.10140	6.2
111.75463	0.9
113.09672	1.5
117.07030	2.0
119.08591	12.6
121.10168	5.2
123.11705	3.1
129.07086	2.3
130.07826	1.5
131.08607	4.6
131.79848	0.8
133.10161	5.2
135.11713	2.2
135.12645	1.1
141.06976	1.1
142.07802	2.9
143.08565	6.6
144.09308	1.0
145.10118	14.8
147.08029	1.4
147.11696	5.2
149.13338	1.0
155.08582	3.3
156.09355	4.5
157.10144	14.7
158.10666	1.0
159.08189	2.1
159.11679	15.8
161.01163	1.1
161.09680	2.3
161.13231	2.6
161.44994	0.9
163.11185	1.1
169.10101	7.3
170.10941	4.2
171.08080	1.7
171.11696	20.6
172.12067	1.0
173.09630	2.1
173.13275	8.5
175.11229	1.9
175.14766	0.9
179.02376	1.1
179.08614	1.9
180.09193	1.0
181.10049	4.5
182.10899	1.6
183.11697	9.5
183.91125	1.0
185.09677	2.6
185.13280	15.9
187.11307	1.3
187.14859	8.4
189.12816	1.6
193.10191	1.9
194.10963	1.7
195.11678	5.7
197.13251	6.0
199.11162	2.6
199.14821	10.0
201.12714	1.2
201.16370	2.8
208.12561	1.5
209.13280	7.9
211.14796	3.5
213.12749	5.2
213.16426	2.3
223.14828	8.7
224.15521	1.9
225.16371	3.9
227.14328	4.1
227.17949	1.9
235.14767	1.5
237.16263	2.1
239.17957	6.6
241.15846	3.4
241.19519	4.4
250.17039	2.0
255.17474	1.0
255.18507	1.3
255.21082	12.2
265.19501	14.8
283.20569	100.0
284.20886	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	283.2056
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
50.58762	1.0
53.03922	1.5
53.71341	1.2
55.01842	2.3
55.05511	8.7
57.07085	7.1
59.04969	1.3
65.55533	1.0
67.05502	11.5
69.03395	1.5
69.07065	12.6
69.29143	4.5
69.29566	9.2
71.04948	1.8
71.08599	3.8
72.08130	2.4
79.05436	4.6
81.07060	9.9
83.08609	7.5
87.80261	1.1
87.81519	1.3
91.05421	4.7
93.07038	8.1
95.04922	4.8
95.08607	11.9
96.08918	1.3
97.06464	4.2
97.10115	5.5
99.08065	2.8
105.07029	9.9
107.04928	1.4
107.08596	10.7
109.06462	1.8
109.10162	10.5
110.10419	1.3
111.08018	3.3
117.07017	1.6
119.08589	18.0
121.06454	2.0
121.10066	5.6
123.08039	1.8
123.11611	5.6
123.30034	1.4
125.09570	1.6
128.06163	1.9
129.06906	1.7
130.07655	1.3
131.08556	7.1
133.10115	7.9
134.09572	3.1
135.09932	2.9
135.11604	4.5
139.11107	1.3
141.06894	1.8
142.07727	2.8
143.08533	8.7
144.09262	1.4
145.10107	14.2
147.11589	4.5
155.08458	3.3
156.09270	4.5
157.10132	13.8
159.10489	1.2
159.11688	19.2
161.09573	1.9
161.13156	3.4
167.08504	1.7
169.10155	8.1
170.10921	5.7
171.07996	1.7
171.11678	18.9
173.09537	1.6
173.13246	8.4
175.11057	1.8
175.14699	1.4
179.08594	1.7
181.09947	5.0
183.11702	8.5
184.12350	1.6
185.09534	2.5
185.13237	15.6
187.11064	3.4
187.14799	7.5
189.12584	2.2
193.10007	2.6
194.10747	1.8
195.11705	6.6
197.13281	6.0
198.13905	1.3
199.11009	3.7
199.14859	10.2
201.12535	1.9
201.16232	3.3
208.12306	2.6
209.13289	10.6
210.13681	1.6
211.14648	4.9
213.12601	2.4
213.16170	3.9
223.14807	11.4
225.16287	3.0
227.14136	3.7
237.16226	2.0
239.18039	5.9
241.15846	2.8
241.19487	7.2
248.24402	2.4
250.17065	1.3
255.17241	1.3
255.18536	1.3
255.21071	14.3
257.62354	1.2
265.19522	19.9
266.25436	1.4
283.20309	100.0
283.28214	20.9
284.20636	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	283.2056
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03930	1.0
54.25860	1.2
55.05508	6.4
57.02645	1.0
57.07059	2.2
64.17029	1.1
67.05503	6.5
68.67955	1.1
69.07071	6.1
70.88583	3.1
71.08600	1.0
77.91180	1.0
79.05467	3.7
81.07047	9.5
83.08605	3.9
83.42408	1.2
91.05470	2.9
93.07044	6.6
95.04955	4.4
95.08601	9.1
97.06519	4.6
97.10152	3.2
99.08038	2.4
105.07013	6.0
107.08596	8.5
109.10151	6.8
111.08030	1.1
117.07053	2.4
119.08566	15.6
121.10129	6.3
123.08076	1.4
123.11734	5.3
125.09619	1.3
129.06981	1.9
131.08592	6.1
133.08635	1.2
133.10138	6.5
135.11659	2.8
141.06978	1.4
142.07764	3.2
142.08823	1.0
143.08586	5.6
144.09296	1.9
145.10129	10.7
147.11676	4.3
155.08546	4.2
156.09331	4.7
157.10124	17.1
159.08034	2.0
159.11681	17.9
161.09624	1.7
161.13271	3.5
169.10150	8.7
170.10889	3.7
171.07959	1.6
171.11674	16.7
172.12201	1.3
173.09644	1.9
173.13242	8.3
173.72392	1.1
175.11240	1.3
179.08623	1.4
181.10123	3.1
183.11652	8.1
184.12375	1.2
185.09665	2.8
185.13271	13.4
186.13918	1.2
187.11140	2.6
187.14832	6.5
193.10059	1.8
194.10941	1.3
195.11685	4.8
197.13252	4.8
199.11174	3.6
199.14799	11.4
201.12689	1.2
201.16368	2.8
207.11636	1.3
208.12357	1.2
209.13263	9.6
210.13896	1.6
211.14854	3.5
213.12735	3.9
213.16312	5.5
215.14302	1.2
221.13235	1.6
223.14737	7.7
225.16327	2.7
227.14386	6.2
227.17928	1.1
237.16243	1.7
239.17987	6.8
241.15794	2.0
241.19489	5.7
250.17159	1.4
255.21083	14.1
265.19528	19.0
278.77716	1.1
283.20557	100.0
284.20923	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
55.05515	9.5
57.03422	1.0
57.07066	2.9
65.03936	1.3
67.05508	8.3
69.03425	2.8
69.07069	8.6
71.04989	4.0
71.19957	2.4
77.63624	1.0
79.05493	8.9
81.07060	18.4
83.04986	1.7
83.08621	3.9
91.05478	10.5
93.07050	15.6
95.04993	6.3
95.08610	11.2
95.17371	0.9
97.06541	4.7
97.10179	2.7
99.08087	2.2
102.42076	0.9
105.07034	18.5
107.08594	14.1
109.06535	2.6
109.10165	11.1
111.08110	1.3
111.11757	1.0
117.07034	3.8
119.08585	25.4
121.06498	3.6
121.10142	26.6
122.10526	1.1
123.08050	3.1
123.11683	5.5
128.06271	1.2
129.07011	3.8
130.07780	3.0
131.08585	13.6
133.06532	1.4
133.10136	14.1
135.08058	4.0
135.11664	4.5
138.97472	1.1
141.07019	1.2
142.07761	3.5
143.08583	10.2
144.09225	1.7
145.06436	1.3
145.10133	20.7
147.08023	1.8
147.11671	5.6
149.13278	2.1
151.11162	1.2
155.08557	3.3
156.09341	5.3
157.10149	17.3
158.10880	3.1
159.08107	1.9
159.11702	16.9
161.09613	8.1
161.13271	3.9
163.11165	2.1
165.07069	1.3
165.29391	1.0
167.08496	1.5
168.09436	1.3
169.10153	9.1
170.10944	5.3
171.08064	1.4
171.10287	1.7
171.11681	18.1
172.12331	1.1
173.09630	2.6
173.13269	22.7
174.13696	1.2
175.11194	3.7
179.08594	2.4
181.10153	4.5
182.10924	1.6
183.11705	9.6
183.46465	1.0
185.09663	1.9
185.13269	17.0
187.11171	2.2
187.14861	10.3
189.12717	1.9
191.14410	1.6
193.10178	2.5
194.10948	1.7
195.11748	7.5
197.09676	1.4
197.13274	7.0
199.11201	1.9
199.14838	13.0
201.12701	1.8
201.16335	3.2
203.14278	1.2
207.11639	1.1
208.12491	3.1
209.13266	10.9
210.13956	2.5
211.14813	2.9
212.12010	1.6
213.12749	4.7
213.16367	5.9
221.13208	1.4
222.14087	1.1
223.14822	8.0
223.20578	0.9
224.15562	1.9
225.16371	2.8
227.14420	5.0
227.18071	1.6
235.14816	2.1
236.15421	1.4
237.16408	1.7
239.17958	8.2
240.18314	1.3
241.15854	2.3
241.19530	5.2
250.17297	1.5
255.17412	1.5
255.18460	1.4
255.21077	13.2
265.19516	16.9
283.20572	100.0
284.21002	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	283.1903
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.03946	6.1
53.17334	3.1
55.01877	11.5
55.05515	22.2
57.03432	10.8
57.07070	10.9
59.05005	3.4
65.03960	3.7
67.05506	47.8
69.03426	14.5
69.07076	23.9
70.68790	5.1
70.69147	6.6
71.01337	3.8
71.04990	13.0
71.08634	100.0
79.05496	56.4
81.03419	14.5
81.07058	61.2
83.01360	3.7
83.04984	24.2
83.08617	13.1
85.02903	10.0
85.06544	5.3
85.10184	3.3
91.05470	35.8
93.03403	3.8
93.07047	49.3
95.04967	19.6
95.08598	30.8
97.02911	8.5
97.06515	18.4
97.10181	5.6
99.04469	8.1
99.05810	3.4
99.08092	94.7
105.01900	4.1
105.06377	5.8
105.07035	68.0
107.04936	20.3
107.08594	53.7
109.02785	4.5
109.06506	20.3
109.10170	12.0
111.04445	13.0
111.08088	7.4
117.07026	12.5
119.08562	19.5
121.02872	10.6
121.06493	6.5
121.10159	33.0
123.04449	4.5
123.08084	11.4
123.11700	14.7
125.05997	14.9
125.09627	9.2
127.03917	7.0
128.06245	3.8
128.35759	3.3
129.05489	11.9
129.06975	3.2
131.08574	32.7
133.06491	14.8
133.10144	13.6
135.04370	3.7
135.08023	7.0
135.11694	16.9
137.05989	5.3
137.09590	3.0
137.13223	4.2
139.11237	4.3
141.12727	7.4
143.07001	3.7
143.08597	4.9
145.04950	6.4
145.06557	3.3
145.10132	13.8
147.08063	3.9
147.11697	4.9
148.92693	3.1
149.09621	23.8
149.13162	3.0
151.07529	18.1
151.11180	34.0
153.12769	18.2
157.10182	6.5
159.08025	4.6
159.11664	5.5
159.88736	2.9
161.09639	4.5
163.11211	13.5
163.14844	3.7
165.12750	7.1
167.07024	5.6
167.10677	10.4
169.08698	3.4
171.11588	3.5
173.09593	6.3
173.13261	4.4
177.16402	7.0
181.12213	7.6
187.14844	11.9
191.10555	4.5
195.17499	13.3
201.16342	11.5
203.18008	5.8
205.15863	17.1
209.11577	4.3
219.17465	13.8
223.07559	4.0
223.16846	16.9
227.12759	6.4
229.15923	9.4
247.13335	3.1
247.16924	32.1
251.09370	4.0
265.17947	43.9
273.27682	3.1
283.02368	8.3
283.09729	11.9
283.15186	20.8
283.20471	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	283.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.3
56.96558	1.3
57.07067	3.0
67.05505	1.7
69.03425	2.8
69.07061	3.8
69.37405	0.9
70.06589	1.0
71.05000	4.1
71.08628	1.5
71.60168	1.8
71.60548	1.1
79.05514	2.5
81.03428	1.7
81.07066	5.3
82.23888	1.0
82.80356	1.0
83.04981	1.5
83.08621	1.9
85.02903	2.1
85.06580	1.3
87.04453	2.8
89.06037	100.0
91.05484	4.4
93.07047	7.6
95.04990	2.2
95.08609	3.8
97.02907	2.4
97.06560	2.4
98.97558	1.0
105.07053	3.6
107.04961	1.5
107.07108	5.9
107.08602	4.2
109.06548	2.1
111.04453	1.1
111.08109	1.6
116.98640	1.6
119.08566	2.0
121.02885	1.7
121.06460	1.9
121.10157	3.1
123.08062	1.7
123.96847	1.0
130.08623	1.6
131.08623	1.2
133.08612	42.5
135.11676	2.9
137.05907	1.1
138.09146	21.9
141.47186	1.1
147.04420	1.4
149.09630	1.4
151.09706	1.1
153.12790	7.5
154.49283	1.0
159.11688	1.4
163.14886	1.0
163.49252	1.0
169.10161	1.6
171.11716	1.2
177.05426	1.2
177.11267	9.3
181.04964	2.2
185.13409	1.2
189.12796	1.1
221.12909	2.9
239.14891	3.2
247.13261	1.1
253.10406	1.0
265.11826	1.8
283.10699	2.1
283.17450	6.8
283.20654	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.03933	2.7
55.01851	3.6
55.05513	11.8
57.03435	10.6
57.07061	4.1
58.94551	0.8
67.05505	17.8
69.03421	1.9
69.07069	9.3
71.04993	2.6
71.59253	0.9
71.59628	1.2
73.02921	1.0
76.64739	0.8
79.05490	22.6
81.03400	2.9
81.07060	21.9
83.04958	4.4
83.08619	10.0
89.06049	1.2
91.05465	10.7
93.06477	2.0
93.07047	36.9
95.04968	8.6
95.08609	33.2
96.08884	1.2
97.02904	4.5
97.06509	4.0
97.10148	1.4
99.04442	4.1
105.07039	9.3
107.04961	9.9
107.08596	27.9
109.06486	2.8
109.10135	5.8
111.04434	1.2
111.08092	1.4
117.07045	10.8
119.08573	13.0
120.20595	1.1
121.06516	5.2
121.10149	14.8
123.08064	1.1
125.05961	3.4
129.06964	2.3
130.07761	3.1
131.08540	3.6
133.10130	5.3
135.08028	2.2
135.11696	48.6
137.09570	1.2
143.08537	1.9
144.55647	1.0
145.06441	1.7
145.09045	1.9
145.10126	31.9
147.07956	1.1
147.11647	2.4
149.09676	1.3
153.12701	1.9
155.08514	2.0
157.10104	4.7
159.11679	3.0
161.09657	1.1
163.11185	59.5
164.11598	1.7
169.10098	2.9
170.10866	1.7
171.11676	4.0
173.09593	2.9
173.13173	2.4
179.08459	1.3
181.10104	1.1
181.10385	1.2
181.12234	15.3
183.11734	2.1
185.13255	3.8
187.14830	1.8
191.10687	2.2
195.11708	3.3
197.13229	2.8
199.14818	3.3
201.16287	1.5
209.11725	3.9
211.14812	1.3
223.14731	1.4
227.12776	100.0
228.13081	4.5
239.17944	1.7
241.15913	2.1
241.19466	2.6
255.20979	2.3
265.19424	1.9
283.15390	39.2
283.20401	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98341	0.6
53.03946	1.7
55.01871	3.8
55.05508	8.9
56.96572	2.4
57.03438	8.2
57.07064	1.7
65.03944	1.3
67.05501	14.4
67.05828	1.0
69.03458	1.6
69.07063	5.7
70.88467	1.3
71.05000	2.7
76.78373	0.6
79.05493	19.1
81.03434	2.6
81.07059	17.3
81.07516	1.2
83.04997	3.7
83.08617	7.1
85.02911	0.9
91.05476	10.8
93.07043	31.1
95.04964	6.4
95.08607	34.5
97.02876	3.6
97.06541	3.6
99.04459	4.4
103.05476	1.1
105.07033	8.1
107.04951	8.6
107.08597	23.2
107.09290	1.5
109.06533	3.7
109.10175	2.6
111.04446	1.7
111.08064	1.6
113.06018	0.7
117.07013	8.5
119.04965	2.7
119.08582	10.6
121.02889	1.8
121.06498	5.2
121.10136	11.1
125.06023	2.9
130.07791	2.7
131.08571	1.9
133.10139	2.9
135.08076	2.6
135.11688	40.7
136.12088	0.8
139.07591	1.4
143.08577	2.1
145.10130	26.3
147.04413	9.0
153.12741	1.1
155.08557	0.8
159.11658	1.1
161.01199	1.0
163.11177	54.8
164.11629	1.1
171.11707	1.0
173.09557	1.7
181.12239	14.8
206.92593	0.8
227.12779	100.0
228.13091	1.9
239.02394	0.8
241.07826	0.8
257.03226	1.4
283.09787	2.0
283.15369	33.2
283.20538	2.4
284.15735	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01870	6.7
55.05511	12.2
55.33710	0.9
56.96532	1.1
57.03179	1.2
57.03437	9.6
57.07075	2.0
66.41805	1.0
67.05166	1.3
67.05500	15.5
69.03432	4.7
69.07073	11.2
71.05003	5.2
71.60698	1.4
73.02902	1.6
79.05064	1.8
79.05493	25.5
81.03423	5.2
81.07056	26.2
83.01333	1.7
83.04987	8.3
83.08621	9.5
84.08097	1.3
85.02881	1.7
85.06529	2.7
91.05480	12.6
93.07046	39.4
95.04977	8.5
95.08610	38.9
96.95469	1.0
97.02910	6.1
97.06541	6.0
97.10167	1.9
99.04437	5.3
103.05473	1.8
105.07027	11.1
106.22919	1.1
107.04964	10.7
107.08594	29.6
109.06571	4.7
109.10175	5.2
110.09763	1.0
111.04416	3.5
111.08073	3.5
115.05455	1.1
117.07011	9.8
119.04949	1.0
119.08591	12.7
121.02842	1.8
121.06525	6.6
121.10144	18.7
123.08075	1.8
123.11670	2.1
125.05045	1.1
125.05981	1.5
125.09657	2.3
128.06181	0.9
129.06995	2.0
130.07774	1.6
131.04837	1.1
131.08560	4.1
133.06540	1.5
133.10107	5.3
135.08035	3.0
135.11697	42.9
136.12117	1.0
137.05978	1.7
137.09637	1.1
137.13329	1.0
139.07535	1.8
143.08533	3.4
145.06529	1.8
145.09041	1.8
145.10124	27.4
145.21460	1.0
147.08067	1.2
149.13239	1.2
153.12721	3.7
155.08528	2.4
157.10107	3.2
159.11687	2.6
161.05986	2.5
161.09579	1.5
163.11188	60.9
165.07074	1.6
167.08553	1.6
169.10127	2.0
171.11719	2.5
173.09619	3.7
173.13379	1.1
181.12236	15.0
181.79135	1.1
183.11670	1.3
185.13309	2.1
185.15443	2.2
191.10619	1.6
195.11705	1.3
197.13316	2.5
199.14746	1.4
201.16318	1.3
209.11719	4.3
209.13393	1.1
210.08971	1.0
211.14978	1.8
223.07574	1.9
223.14946	1.9
225.16368	1.4
227.12784	100.0
228.13129	3.9
236.94093	1.1
240.07831	1.5
251.06897	1.1
251.09244	1.1
259.95618	1.3
265.19550	1.6
266.24695	2.1
283.09747	7.3
283.15393	41.2
283.20358	14.9
284.12869	1.9
284.15866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	1alpha-Hydroxyalliacolide
Peak:m/z	Relative Intensity
53.03946	1.4
55.01872	3.6
55.05505	5.5
56.96571	4.4
57.03438	15.4
57.07077	1.7
65.03926	1.0
67.05506	6.1
69.03431	5.1
69.07077	5.5
70.07394	0.6
71.04991	4.2
71.59386	1.2
79.05498	28.5
81.03411	1.3
81.07065	11.9
82.16905	0.7
83.04989	2.2
83.08614	1.1
85.06561	1.4
91.05481	14.7
93.07048	66.8
94.07376	1.2
95.04968	6.8
95.08600	5.1
97.02341	1.1
97.02930	1.0
97.06567	4.2
97.10157	0.9
98.89897	0.7
98.97586	2.4
99.04467	4.5
101.06049	0.9
105.07034	28.7
106.07463	0.6
107.04965	2.1
107.08598	100.0
108.08910	1.9
109.06526	5.0
109.10162	2.8
111.04482	1.2
111.08091	2.2
111.64751	0.7
113.05997	1.8
116.98663	2.1
117.05460	0.8
117.07030	4.9
119.04947	1.7
119.08582	13.1
119.09452	0.7
121.02905	1.1
121.06500	13.4
121.10151	32.0
121.11031	1.6
123.08052	1.1
123.11728	1.1
127.07590	0.8
128.06161	0.7
129.05511	3.2
129.06979	1.4
130.07806	2.2
131.08566	2.2
132.06203	1.1
132.56380	0.8
133.10150	1.3
134.99643	1.0
135.08066	12.2
135.08998	1.2
135.11694	20.8
138.06209	1.1
139.07520	1.5
143.08537	1.3
145.10124	24.5
146.10423	0.9
146.99612	0.7
147.04413	5.1
147.06822	0.9
147.08012	1.1
147.11746	4.1
149.05977	1.1
149.09615	12.3
153.12749	0.7
155.08603	1.1
156.07855	0.8
161.01230	1.1
161.80133	0.8
163.11189	57.0
164.11502	1.2
169.08595	0.8
169.10048	0.8
173.09637	4.7
177.00684	0.8
177.62399	1.1
178.67303	0.7
181.12215	6.3
185.13269	1.0
186.62914	1.0
191.08897	1.4
191.10672	27.0
192.62918	3.0
195.07974	0.9
197.13142	0.8
201.63503	0.8
209.11661	5.4
209.13156	0.6
210.63884	0.9
213.14241	1.3
227.12686	1.0
239.17810	0.9
247.13286	1.9
251.09439	1.0
258.64999	4.7
265.14334	4.5
273.65500	1.2
282.66064	6.9
283.10019	1.6
283.15405	62.4
283.20535	4.1
284.15720	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03925	6.1
55.01871	26.2
55.05263	3.1
55.05512	50.1
57.03153	3.0
57.03439	46.7
57.07067	5.3
58.40426	2.0
59.04988	8.9
67.05508	34.6
69.03407	4.0
69.07061	15.1
69.58939	2.0
71.01350	2.0
71.02513	4.8
71.02841	2.7
71.04989	11.9
71.08622	2.6
79.05495	44.1
81.02974	2.9
81.03417	29.9
81.07058	45.3
83.01346	26.2
83.04989	33.6
83.08614	28.2
85.02890	7.6
85.06532	3.2
90.80759	1.9
91.05478	35.8
93.06471	4.1
93.07044	64.2
93.07629	4.6
95.04972	18.3
95.08615	22.8
97.02870	7.8
97.06543	15.3
97.10144	7.2
98.15317	2.2
99.04446	8.5
99.08121	2.8
103.05392	2.8
105.07023	23.6
106.63293	2.5
107.04944	20.4
107.08579	29.6
109.06524	16.0
109.10130	8.1
111.04424	9.2
111.08058	6.6
111.95376	2.7
117.07013	19.6
119.04935	5.2
119.08572	22.2
121.06504	9.8
121.10127	19.3
123.08059	21.1
123.11690	2.2
125.05974	4.7
125.09614	4.3
129.06992	5.7
130.07838	2.5
131.08572	9.8
133.10126	7.3
135.08034	5.3
135.11702	33.8
137.09593	3.5
143.08563	4.3
145.06454	3.0
145.10114	42.1
147.08075	3.4
153.12756	13.5
155.08502	4.3
157.10133	5.1
159.11661	3.8
163.11179	69.0
171.11769	3.0
173.09587	10.0
181.12221	13.1
185.13268	4.2
191.10658	7.9
195.11719	2.6
199.14774	2.1
209.11717	25.1
227.12723	16.1
255.21048	2.3
265.29892	2.1
267.06473	3.9
283.09976	12.4
283.15390	100.0
283.20172	19.2
284.15744	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.9
53.91628	1.8
55.01878	29.4
55.05515	49.2
56.61813	2.1
57.03442	46.6
57.07058	6.3
59.04981	8.2
67.05176	1.8
67.05507	33.3
69.03439	2.3
69.07074	13.7
70.02898	7.9
71.01332	2.9
71.05016	9.3
71.08631	3.1
71.25570	1.7
73.06547	1.9
79.05498	49.7
81.03420	24.6
81.07060	50.4
83.01342	25.6
83.04984	34.3
83.08627	38.3
85.02875	8.3
85.06550	3.3
91.05485	36.4
93.07050	62.8
95.04967	19.1
95.08057	2.2
95.08607	31.3
97.02865	4.9
97.06541	10.3
97.10145	5.2
98.21456	2.2
99.04426	7.0
103.05469	2.4
105.07032	30.5
107.04958	21.6
107.07879	2.0
107.08595	38.0
109.05894	1.7
109.06530	17.6
109.10163	10.1
111.04433	9.3
111.08035	5.7
115.05444	4.1
117.07020	20.6
119.08590	32.2
121.06511	12.2
121.10155	27.5
123.08076	17.3
123.11676	4.2
125.06011	3.2
125.09624	3.8
128.06140	2.4
129.06934	6.5
130.07733	4.5
131.08586	12.6
133.10127	13.4
135.08011	6.7
135.11699	40.5
137.09586	4.4
139.07553	2.0
139.69237	2.1
141.06946	2.2
142.07758	2.6
143.08525	5.9
145.06467	2.5
145.10133	45.4
147.07985	4.9
147.11687	9.4
149.05933	2.8
149.09625	4.6
151.11099	2.1
153.12733	9.7
155.08507	7.8
156.09319	3.2
157.10193	9.9
159.08067	2.6
159.11649	11.6
161.09639	2.8
163.11194	84.3
169.10106	5.8
170.10925	3.4
171.11711	10.2
173.09615	11.7
173.13232	5.5
181.10028	2.9
181.12268	15.0
183.11630	6.3
183.82968	2.0
185.09554	3.6
185.13268	10.2
187.14740	5.3
191.10583	8.4
195.11723	3.8
197.13193	5.2
199.11244	3.9
199.14713	6.7
201.12737	2.2
201.16248	3.7
208.12421	2.6
209.11656	24.9
209.13336	4.2
211.14706	2.6
223.14708	2.9
227.12714	40.0
227.14609	3.2
239.17926	5.0
241.15813	5.4
241.19406	3.3
255.20909	7.0
265.19446	8.6
283.15317	100.0
283.20377	62.2
283.25793	2.2
284.15982	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01860	3.8
55.05309	0.9
55.05515	9.3
56.96551	2.3
57.03430	8.0
57.07069	1.7
63.76891	0.9
65.03951	0.8
67.05506	14.3
69.03400	1.1
69.07074	6.7
69.91759	1.7
69.92171	3.6
71.04974	2.9
73.02895	0.8
79.05492	20.6
81.03416	3.2
81.07056	18.7
83.04973	3.6
83.08627	8.2
85.02924	1.1
85.06530	0.8
91.05481	9.9
93.07040	31.3
95.04987	6.8
95.08605	30.8
96.08874	0.8
97.02877	3.8
97.06515	3.0
97.48902	0.8
98.20853	1.2
99.04457	3.9
103.05474	0.8
105.07021	7.2
107.04964	8.4
107.08595	20.7
109.06522	2.1
109.10131	3.0
111.04462	1.7
111.08097	1.5
113.05973	0.9
117.07044	9.0
119.04929	4.5
119.08577	8.2
120.05174	0.9
120.50613	0.8
121.02852	1.8
121.06490	6.1
121.10144	10.3
123.11747	1.1
125.05967	3.2
127.03922	0.9
130.07776	1.3
131.08548	1.9
133.10114	3.1
135.08069	1.8
135.11688	40.7
139.07509	1.7
143.08556	1.0
145.10130	23.7
145.11278	1.3
146.10426	1.0
147.04411	12.9
148.04749	1.5
153.12752	1.7
157.10104	0.9
163.11176	55.0
164.11472	2.1
171.11607	1.0
173.09680	1.4
181.12238	15.1
191.10681	1.0
209.05499	0.9
209.11816	2.0
227.12779	100.0
228.13107	2.4
239.02242	1.7
257.03439	1.3
283.09833	1.5
283.15402	34.4
283.20547	3.6
284.15839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01870	6.7
55.05511	12.2
55.33710	0.9
56.96532	1.1
57.03179	1.2
57.03437	9.6
57.07075	2.0
66.41805	1.0
67.05166	1.3
67.05500	15.5
69.03432	4.7
69.07073	11.2
71.05003	5.2
71.60698	1.4
73.02902	1.6
79.05064	1.8
79.05493	25.5
81.03423	5.2
81.07056	26.2
83.01333	1.7
83.04987	8.3
83.08621	9.5
84.08097	1.3
85.02881	1.7
85.06529	2.7
91.05480	12.6
93.07046	39.4
95.04977	8.5
95.08610	38.9
96.95469	1.0
97.02910	6.1
97.06541	6.0
97.10167	1.9
99.04437	5.3
103.05473	1.8
105.07027	11.1
106.22919	1.1
107.04964	10.7
107.08594	29.6
109.06571	4.7
109.10175	5.2
110.09763	1.0
111.04416	3.5
111.08073	3.5
115.05455	1.1
117.07011	9.8
119.04949	1.0
119.08591	12.7
121.02842	1.8
121.06525	6.6
121.10144	18.7
123.08075	1.8
123.11670	2.1
125.05045	1.1
125.05981	1.5
125.09657	2.3
128.06181	0.9
129.06995	2.0
130.07774	1.6
131.04837	1.1
131.08560	4.1
133.06540	1.5
133.10107	5.3
135.08035	3.0
135.11697	42.9
136.12117	1.0
137.05978	1.7
137.09637	1.1
137.13329	1.0
139.07535	1.8
143.08533	3.4
145.06529	1.8
145.09041	1.8
145.10124	27.4
145.21460	1.0
147.08067	1.2
149.13239	1.2
153.12721	3.7
155.08528	2.4
157.10107	3.2
159.11687	2.6
161.05986	2.5
161.09579	1.5
163.11188	60.9
165.07074	1.6
167.08553	1.6
169.10127	2.0
171.11719	2.5
173.09619	3.7
173.13379	1.1
181.12236	15.0
181.79135	1.1
183.11670	1.3
185.13309	2.1
185.15443	2.2
191.10619	1.6
195.11705	1.3
197.13316	2.5
199.14746	1.4
201.16318	1.3
209.11719	4.3
209.13393	1.1
210.08971	1.0
211.14978	1.8
223.07574	1.9
223.14946	1.9
225.16368	1.4
227.12784	100.0
228.13129	3.9
236.94093	1.1
240.07831	1.5
251.06897	1.1
251.09244	1.1
259.95618	1.3
265.19550	1.6
266.24695	2.1
283.09747	7.3
283.15393	41.2
283.20358	14.9
284.12869	1.9
284.15866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.9
55.01794	3.6
55.05433	7.3
55.05722	1.1
57.03352	8.2
57.03661	1.2
57.07015	1.6
57.87087	0.6
58.38168	0.6
65.03894	0.9
65.19326	0.6
67.05416	12.2
67.05806	1.3
69.03368	1.6
69.06976	5.3
69.31567	1.9
69.31987	5.9
71.04904	2.2
71.05252	0.8
73.02840	1.1
79.05400	19.0
79.05905	1.7
81.03329	2.2
81.06964	17.9
81.07485	1.1
83.01248	0.7
83.04881	3.8
83.08527	7.6
85.06480	1.1
89.87066	0.6
91.05470	7.7
93.07046	28.1
93.07576	1.5
95.04959	7.5
95.08606	30.1
95.09163	1.7
95.12354	0.6
97.02807	2.6
97.06528	3.1
97.10068	1.2
99.04444	3.5
105.07023	8.1
107.04964	8.8
107.08591	22.1
109.06452	1.8
109.10057	2.5
111.04388	1.4
111.08008	1.8
112.47294	0.6
113.05912	0.8
113.09635	0.6
115.05325	0.9
115.54784	0.6
117.07009	8.4
119.08586	10.3
121.06535	5.2
121.10141	9.9
123.08019	0.8
123.11627	1.1
125.05906	2.0
128.06158	1.3
129.06949	1.3
130.07695	2.7
131.08493	2.6
133.10123	4.8
135.07970	1.9
135.11690	37.6
136.11890	0.8
139.07466	1.0
142.07574	0.7
143.08553	3.9
144.09296	0.7
145.10121	25.0
147.11560	2.3
155.08478	2.5
156.09296	1.5
157.10147	6.6
159.11661	4.7
161.09550	1.0
163.11185	48.8
164.11487	1.3
167.08548	0.8
169.10110	8.3
170.10814	1.9
171.11644	7.1
173.09537	2.4
173.13188	3.0
179.08522	1.3
181.10124	1.8
181.12239	12.7
182.10927	1.0
183.11705	6.3
184.12427	0.8
185.09583	1.4
185.13278	6.6
187.11111	1.4
187.14821	4.0
191.10684	0.9
193.10039	1.2
194.10712	1.0
195.11700	4.0
197.13242	3.3
199.11143	1.9
199.14807	7.5
201.16383	5.5
209.11639	1.7
209.13354	5.0
211.14693	1.0
213.12788	2.2
213.16357	2.7
221.13286	0.8
223.14861	3.6
225.16357	2.4
227.12770	100.0
228.13072	2.2
236.15631	0.8
237.16295	1.3
239.17949	7.1
241.15875	1.1
241.19524	3.7
255.21136	7.6
265.19507	7.3
283.15463	32.1
283.20514	47.2
284.15811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1195
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01850	0.6
56.05027	0.5
56.96542	0.6
57.03427	0.8
59.05002	0.8
59.09818	0.3
62.31912	0.3
69.03423	2.8
69.07054	0.4
70.06567	0.3
71.60112	0.5
84.08105	0.5
85.02908	1.3
85.06548	0.4
87.04462	1.0
97.02895	1.2
101.06017	1.3
103.07568	0.5
115.03940	0.6
115.56687	0.3
119.03565	0.7
127.03906	1.1
136.06184	100.0
137.04614	0.7
145.04889	0.3
147.04410	0.6
150.07726	0.4
182.99608	0.7
201.00739	2.1
218.32532	0.3
219.01773	0.7
228.38168	0.3
282.12006	5.5
282.22208	0.8
300.06332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63353	1.2
53.03941	2.3
55.01883	2.8
55.05496	1.3
56.96564	2.1
57.03438	5.5
57.07071	1.5
60.08172	1.5
61.02929	10.4
61.47076	1.0
63.02291	1.0
67.05508	1.7
67.39067	1.1
67.83474	1.1
69.03430	17.5
69.07055	1.2
71.04996	4.3
71.40647	2.8
73.02914	6.1
81.03427	6.1
84.08163	2.0
84.81139	1.2
85.02906	100.0
85.06544	27.2
85.07020	2.4
87.04456	3.7
91.03960	9.1
92.95744	1.2
97.02894	22.2
98.97580	2.7
99.04447	4.4
101.02377	1.3
102.09189	1.8
103.07580	1.9
107.05000	1.4
109.02866	6.4
109.06544	1.2
112.07602	1.3
116.98615	1.4
120.08121	3.4
121.08451	1.3
124.54526	1.2
127.02973	1.5
127.03923	27.2
130.08649	2.7
135.06372	1.6
136.06181	17.6
145.04962	51.6
147.04414	2.0
150.07730	2.9
152.05701	2.4
163.06033	15.5
177.00778	1.4
180.08604	1.5
193.03183	7.6
196.19632	1.2
204.05402	1.8
204.27264	1.3
211.09627	1.7
229.10822	5.8
236.14885	2.0
282.08350	6.1
282.12192	1.8
282.15253	10.6
282.22150	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19099	6.8
70.19505	2.8
73.02903	2.4
77.87368	1.9
78.11453	1.6
85.02892	4.1
93.04911	1.9
97.02921	2.2
143.01973	1.7
150.07722	7.9
155.01874	2.3
173.02924	4.3
174.04498	2.0
179.00410	6.4
183.05014	5.4
185.02998	1.9
192.05618	10.2
192.07089	2.0
194.99902	100.0
208.03053	18.6
222.04610	20.5
222.99403	5.9
223.05411	4.3
238.07779	4.1
282.07053	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	2.5
61.02915	2.9
69.03416	4.1
69.63004	9.8
70.06609	2.0
73.02912	3.2
85.02911	8.9
87.04066	1.5
94.93031	4.0
97.02879	4.4
98.97591	5.0
102.05514	2.1
104.10759	1.9
116.98634	3.4
118.08659	2.8
127.03902	4.7
128.04384	1.7
136.06238	2.8
141.33737	1.7
144.32076	1.5
150.07776	17.7
176.93515	2.7
177.00684	2.0
179.00397	5.7
183.05020	3.7
191.03813	1.8
191.54041	2.4
192.05626	3.8
194.99895	100.0
200.04475	2.3
200.54655	3.9
201.04965	2.0
208.03052	18.2
222.04620	21.5
222.99448	4.3
223.05389	2.9
238.07721	3.5
239.04381	1.6
282.06967	61.5
282.11786	3.8
282.15051	2.1
283.07053	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	281.2475
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
55.01870	5.2
55.05509	75.4
56.96554	5.4
57.03425	5.0
57.07074	16.0
59.04985	5.5
65.03922	2.2
67.05502	32.6
69.03426	13.8
69.07067	90.2
70.77818	5.1
70.78182	2.0
71.04993	10.2
71.05324	1.8
71.08625	5.5
79.05493	17.4
81.03360	2.1
81.06577	4.2
81.07054	71.5
83.05000	11.5
83.08622	27.5
85.02911	4.6
85.06533	10.3
91.05479	32.7
93.07036	28.1
95.04948	5.8
95.08607	80.3
97.06522	13.4
97.10171	100.0
98.97580	6.9
99.04485	2.7
99.08080	5.3
105.07034	18.2
107.04962	3.2
107.08588	33.6
109.06505	5.1
109.10152	56.2
111.08077	5.6
111.11734	17.1
112.87283	2.1
113.05965	2.2
113.09637	30.6
115.07593	2.6
115.11179	2.8
116.98611	6.2
117.07014	3.9
119.08572	17.4
120.75610	1.8
121.10137	28.9
123.08077	7.0
123.11708	25.3
125.09605	18.0
127.11160	5.3
131.08508	3.0
133.06496	2.7
133.10144	12.1
134.99707	2.6
135.08061	14.2
135.11670	12.1
137.09633	11.4
137.13235	15.4
139.11185	36.8
143.08549	2.8
143.10678	13.0
145.10135	2.4
147.08034	3.9
147.11671	10.1
149.09662	3.7
149.13257	16.4
150.02708	2.4
151.02834	2.6
151.11201	10.2
151.14832	3.5
157.12231	5.9
159.11771	2.8
161.06010	3.6
161.09628	2.8
161.13237	7.6
163.11177	4.2
163.14818	7.6
165.06960	2.5
165.12621	3.3
165.16437	3.2
167.14302	3.4
171.11758	2.1
175.07472	2.6
175.14777	8.0
177.00690	2.9
181.10208	2.2
183.11671	2.5
189.05519	2.4
189.09389	2.5
189.16399	9.8
193.10048	3.7
193.15891	2.1
197.09627	2.2
203.18001	2.9
205.19502	3.1
207.17354	2.7
209.19035	3.6
219.01842	2.9
219.08122	2.4
219.21040	2.0
227.05577	2.6
235.09653	5.6
245.15298	2.7
245.22676	21.8
263.16406	4.2
263.20663	2.7
263.23721	32.1
268.91379	2.1
275.85278	2.0
277.10730	2.5
281.07843	3.4
281.11478	4.1
281.14722	3.0
281.18893	10.0
281.24765	69.4
281.27893	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	281.2474
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.05497	38.8
57.07071	45.1
65.29580	8.0
67.05492	39.3
69.07063	100.0
69.26035	8.8
70.29132	40.8
71.08598	16.0
79.05502	10.5
81.07068	55.5
83.08625	69.4
85.10169	9.2
88.14616	9.3
91.05479	21.4
93.07044	26.2
95.08598	65.6
97.10169	52.7
105.07019	16.3
107.08565	20.4
109.10152	41.3
111.08071	10.3
111.11700	34.4
119.08549	29.5
121.10140	20.1
123.11694	21.7
133.10117	26.9
135.11705	15.2
137.09575	10.5
137.13271	10.7
147.11662	20.9
149.13261	17.4
150.02669	12.7
161.13260	21.8
162.17795	8.9
165.16432	10.0
176.43005	10.0
178.18953	8.4
179.14296	11.1
183.11707	10.2
245.22604	31.5
263.17987	17.3
263.23785	42.3
281.15582	14.5
281.18994	81.3
282.27832	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	281.2475
Annotation	10Z,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03949	2.9
54.11222	1.4
55.01868	2.4
55.05512	67.1
55.08892	1.4
56.01303	1.5
56.96574	1.7
57.03428	2.8
57.07076	19.1
67.05502	43.6
69.03424	2.1
69.07069	100.0
70.85208	5.9
71.04985	4.9
71.08639	11.0
76.62569	1.4
79.05492	16.3
81.07057	69.6
82.07371	2.3
83.04961	4.4
83.08620	70.0
85.06528	4.4
85.10165	3.8
85.31789	1.4
91.05481	20.0
93.07045	24.9
95.04971	2.0
95.08605	61.6
97.06538	10.1
97.09534	2.7
97.10167	53.4
99.08080	5.4
105.07030	17.9
107.08604	22.8
109.06512	3.6
109.10154	31.1
111.08071	8.3
111.11713	21.9
115.07562	1.9
119.08573	24.9
121.10144	20.6
123.08073	4.3
123.11699	13.0
125.09618	5.6
125.13270	6.8
129.09105	2.7
131.08549	3.8
133.10135	26.5
135.11682	13.8
137.09634	4.9
137.13235	6.8
139.11179	5.6
140.56033	1.5
141.06958	2.1
141.08995	1.7
142.07794	2.5
143.08588	3.0
145.10147	3.8
147.11703	18.1
149.13263	17.4
150.02614	2.7
151.02791	2.1
151.11185	6.4
151.14824	1.6
153.12723	3.5
154.40569	1.5
155.08578	3.3
155.10635	1.8
157.10074	4.3
159.11699	2.1
161.09604	1.8
161.13258	13.4
163.14828	9.9
165.12732	6.6
165.16357	2.5
167.08566	3.1
167.14378	3.8
168.09186	1.7
169.10126	8.6
171.11649	2.6
175.11166	2.3
175.14838	9.5
179.08623	2.6
179.14311	6.0
179.17998	2.1
181.10080	4.2
181.15894	3.3
182.10927	2.6
183.08046	2.3
183.11673	8.6
185.13245	5.3
185.75365	1.8
189.16379	6.0
193.10152	2.8
193.15901	4.1
195.11658	4.6
197.09631	3.1
197.13286	10.9
199.11203	2.1
203.17822	1.9
207.11710	6.2
207.17429	3.2
209.13385	3.1
211.11215	8.1
211.14870	5.4
219.11702	3.4
219.21028	2.9
221.13266	4.5
221.22708	4.9
223.14778	4.2
225.12715	5.7
225.16212	2.1
233.13309	5.3
233.72350	1.5
235.15054	1.7
237.16377	4.2
238.17238	1.9
239.14220	4.7
239.17993	4.2
245.22629	26.6
248.15524	2.1
251.17584	1.6
253.19533	9.3
263.17969	11.5
263.23697	22.0
281.19003	59.5
281.24710	22.5
282.19308	3.1
282.28030	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.19
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
55.01863	1.0
55.05509	4.8
56.96559	1.5
57.03434	1.2
57.07070	4.2
61.30572	0.6
67.05509	4.7
69.03417	1.3
69.07076	5.5
71.47062	1.1
79.05495	3.5
80.83437	0.6
81.03411	0.7
81.07057	5.9
83.04984	1.7
83.08620	1.9
85.06506	0.6
86.09705	1.8
91.05479	3.7
93.07043	4.0
95.04973	1.3
95.08598	6.2
97.06524	1.7
97.10171	0.9
104.10717	1.4
105.07022	6.1
107.04956	1.2
107.08592	3.1
109.06535	1.1
109.10130	3.2
117.06985	1.2
119.08585	6.9
121.06516	1.4
121.10160	2.7
123.08076	1.0
123.11759	0.8
125.00027	1.3
128.06230	1.2
129.07004	1.2
131.08562	2.9
133.06488	0.6
133.10124	3.9
135.08063	1.3
135.11702	0.7
137.09592	0.9
138.42026	0.6
138.52963	1.3
140.52679	0.8
141.06985	2.1
142.07776	1.4
143.08569	4.6
145.10132	3.9
147.08073	0.7
147.11674	2.9
149.02338	0.8
150.02682	1.3
151.02824	0.6
153.06998	0.8
154.07832	0.7
155.08549	6.6
156.09386	2.7
157.10136	6.4
159.08069	1.0
159.11674	4.5
161.09584	1.5
161.13214	0.8
167.08556	2.9
168.09375	3.1
169.10129	9.0
169.11545	0.7
170.10921	1.5
171.08026	1.5
171.11664	6.1
173.09636	1.8
173.13278	1.9
179.08565	2.8
179.10612	1.7
179.14282	0.9
180.09363	1.3
181.10103	5.3
182.10902	4.4
183.08128	1.5
183.11681	12.0
184.07309	1.5
184.08868	0.8
184.12469	1.3
185.09613	1.6
185.13243	4.5
187.11200	1.5
187.14902	0.9
191.08585	1.2
192.09259	1.1
193.10123	6.2
194.10854	0.9
194.95599	0.6
195.07990	1.2
195.11665	6.9
196.08861	2.5
196.12473	3.3
197.09576	4.0
197.13258	14.3
199.11189	2.7
199.14864	1.5
201.12721	1.1
204.09427	0.7
205.10139	1.4
206.10884	2.8
207.11690	6.5
208.12485	2.5
209.09610	1.3
209.13243	7.0
210.10362	1.6
210.14017	2.5
211.11179	10.6
211.14778	7.9
212.12004	0.8
213.12790	1.7
218.10941	1.9
219.11600	5.3
220.12506	1.8
221.13234	7.6
222.14018	2.1
223.11203	1.3
223.14758	4.7
224.11974	1.1
224.15619	1.7
225.12743	9.5
225.16254	4.0
226.13440	1.4
233.13245	14.6
234.13957	3.8
235.14801	2.1
237.12852	2.6
237.16367	7.5
238.17149	1.6
239.14284	7.7
239.17984	3.7
240.09946	1.8
241.10342	1.2
248.15633	9.6
251.14265	3.0
251.17900	0.6
252.15062	1.8
252.30780	0.6
253.15866	1.2
253.19513	15.0
263.17932	20.5
266.16769	3.1
280.64828	1.1
281.18997	100.0
281.64160	0.6
282.19366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1898
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
55.01857	0.8
55.05514	1.7
57.03433	0.7
57.07060	0.6
67.05499	1.7
69.03421	0.7
69.07065	2.8
71.04967	0.5
79.05498	1.4
81.07043	2.9
83.08611	0.8
85.06538	0.4
85.33138	0.3
86.04209	0.3
91.05472	2.5
93.07050	2.3
95.08589	3.8
97.06505	0.3
105.07024	2.7
107.04941	0.4
107.08588	2.0
109.06493	0.6
109.10146	1.5
111.08089	0.5
113.24165	0.3
115.05419	0.3
117.06997	1.0
119.08579	4.5
121.06484	0.8
121.10121	1.0
123.08059	0.7
128.06180	0.6
129.06995	1.3
131.08589	2.0
133.06419	0.6
133.10121	2.7
135.08014	0.5
136.64842	0.3
137.09567	0.4
141.06973	1.2
142.07751	0.7
143.08572	2.9
145.06468	0.6
145.10121	3.4
147.08057	0.7
147.11707	2.2
153.06978	1.3
154.07762	0.9
155.08553	4.9
156.09335	2.0
157.10126	4.3
159.08037	1.0
159.11682	3.8
161.09625	0.8
161.13216	0.4
165.06976	1.4
166.07777	0.5
167.08582	2.5
168.09352	2.4
169.06432	0.6
169.10123	9.4
169.11559	0.5
170.10847	1.0
171.08043	1.5
171.11681	3.8
173.09608	1.5
173.13239	1.5
175.11110	0.4
178.07744	0.6
179.08530	2.4
180.09300	1.2
181.06480	1.0
181.10110	5.1
182.07278	0.8
182.10889	3.8
183.08054	2.2
183.11691	11.3
184.12442	0.9
185.09682	2.1
185.13261	2.8
187.11169	1.3
187.14804	0.8
191.08566	0.8
192.09300	1.7
193.10107	4.1
194.10855	1.5
195.08023	1.1
195.11697	7.0
196.08855	2.1
196.12485	2.9
197.09625	5.4
197.13251	13.0
198.10345	0.5
198.13979	0.7
199.11197	2.8
199.14804	1.2
201.12799	0.7
205.10092	1.4
206.10863	1.9
207.11687	6.0
208.12494	2.2
209.09683	1.1
209.13239	5.4
210.10394	1.9
210.13951	1.9
211.11189	10.4
211.14758	6.9
212.11864	0.9
213.12726	1.5
213.16295	0.3
219.11707	3.8
220.12471	0.9
221.11188	0.6
221.13252	8.5
222.10388	0.5
222.13971	1.8
223.11252	1.7
223.14780	4.1
224.11981	1.2
224.15565	1.7
225.12755	9.0
225.16261	2.6
226.13467	1.0
233.13245	6.1
234.13988	3.2
235.14830	1.8
237.12790	1.8
237.16385	7.9
238.13530	0.9
238.17119	1.5
239.14311	7.3
239.17897	3.9
243.14017	0.3
248.15656	3.9
251.14334	3.1
251.17906	0.6
252.15076	1.2
253.15901	1.6
253.19511	10.9
253.22148	0.6
260.33365	0.4
263.17957	13.9
266.16687	2.7
281.18991	100.0
282.19324	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1903
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
55.01855	0.6
55.05507	1.9
57.03431	0.6
57.07068	0.5
61.01227	0.2
67.05504	1.9
69.03429	0.5
69.07067	2.7
70.31499	0.8
77.03976	0.2
79.05495	1.4
81.07063	2.4
83.04958	0.4
83.08627	1.1
85.06522	0.4
91.05479	1.7
93.07038	2.0
95.04960	0.6
95.08612	3.8
97.06535	0.5
105.07037	3.3
107.04958	0.6
107.08590	2.5
109.06499	0.7
109.10150	1.5
115.05435	0.5
117.07005	0.9
119.08573	5.1
121.06498	0.8
121.10141	1.3
123.08046	0.6
123.11694	0.3
128.06212	0.8
129.06976	0.9
130.07828	0.6
131.08580	1.8
133.06496	0.6
133.10107	3.4
135.08031	0.6
135.11668	0.3
141.06961	1.5
142.07785	1.2
143.08565	2.5
144.09279	0.3
145.10123	3.1
147.08066	0.6
147.11681	3.8
148.92181	0.2
149.09602	0.2
150.02750	0.3
151.02853	0.2
152.06093	0.3
153.06979	1.1
154.07759	0.8
155.08551	4.4
156.09364	1.9
157.06438	0.2
157.10121	3.5
158.10858	0.3
159.08067	0.7
159.11703	3.8
161.09604	1.0
161.13272	0.4
165.07016	1.6
166.07672	0.4
167.08563	2.6
168.09323	2.3
169.06447	0.6
169.10133	8.2
170.10855	1.2
171.08061	1.6
171.11682	4.6
173.09645	2.2
173.13266	1.4
175.11163	0.6
178.07776	0.6
179.08536	2.6
180.09343	1.2
181.06479	0.7
181.10124	5.2
181.11618	0.2
182.07272	0.9
182.10910	3.3
183.08171	2.3
183.11690	11.6
184.08806	0.4
184.12437	0.7
185.09637	2.2
185.13234	2.6
187.11160	1.6
187.14825	0.5
191.08557	0.6
192.09296	1.3
193.10123	4.3
194.10869	1.6
195.08086	1.1
195.11684	6.5
196.08823	1.8
196.12474	2.3
197.09616	5.1
197.13255	10.8
198.10335	0.5
198.14020	0.8
199.11209	3.2
199.14792	1.2
201.12793	0.7
204.09239	0.3
205.10074	1.6
206.10912	2.0
207.11687	6.0
208.12445	1.9
209.09731	1.2
209.13255	5.9
210.10359	1.9
210.13957	1.4
211.11185	8.9
211.14787	6.3
211.16586	0.2
212.11960	0.6
213.12672	1.6
213.16386	0.4
218.10887	0.5
219.11678	3.4
220.12471	1.5
221.13261	7.1
221.15393	0.4
222.14024	1.8
223.11354	1.2
223.14813	4.3
224.11923	0.9
224.15579	1.4
225.12758	8.3
225.16261	2.3
226.13486	1.0
227.14240	0.5
233.13263	4.3
234.13980	2.7
235.14789	1.8
237.12825	2.5
237.16373	8.5
238.13522	1.0
238.17165	1.7
239.14301	7.9
239.17957	4.4
248.15637	3.7
251.14357	2.9
251.17989	0.6
252.15138	1.3
253.15944	1.8
253.19513	11.9
263.17960	14.6
266.16641	2.7
271.38947	0.2
281.18997	100.0
282.19345	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1897
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
54.83809	0.2
55.01866	0.5
55.05510	2.7
57.02813	0.2
57.03423	0.4
57.07061	0.9
67.05212	0.2
67.05502	2.2
69.03416	0.4
69.06715	0.3
69.07064	3.1
70.39369	0.9
71.04963	0.2
79.05488	1.9
81.03424	0.3
81.07050	2.9
82.63571	0.3
83.04965	0.7
83.08618	1.3
91.05470	2.2
93.07037	2.2
95.04949	0.7
95.08612	3.5
97.06499	0.6
97.10145	0.9
102.05587	0.2
104.10734	0.3
105.07030	2.8
107.04945	0.6
107.08588	3.0
109.06504	0.8
109.10151	1.2
111.08068	0.5
115.05441	0.4
117.07001	0.8
119.04932	0.3
119.08582	3.3
121.06487	0.8
121.10135	1.4
123.08026	0.6
123.11707	0.5
125.09595	0.4
128.06212	0.9
129.07008	1.4
130.07800	0.2
131.04938	0.3
131.08530	2.1
133.06398	0.4
133.10126	3.5
135.08002	0.6
135.11665	0.2
137.09610	0.4
141.06978	1.6
142.07733	1.4
143.08551	3.1
145.06500	0.3
145.10100	2.9
147.08047	1.0
147.11690	1.4
149.09569	0.3
152.06210	0.3
153.06940	1.1
154.07767	1.0
155.08549	5.5
156.09335	1.6
157.06512	0.6
157.10124	3.7
159.08035	0.9
159.11696	3.2
161.09587	1.0
161.13257	0.5
165.06979	1.7
166.07729	0.7
167.08572	2.2
168.09335	2.7
169.06427	0.7
169.10118	9.2
170.10876	0.8
171.08070	1.5
171.11674	3.4
173.09625	1.8
173.13298	1.3
175.11205	0.4
178.07735	0.5
179.08522	2.5
180.09308	1.1
181.06485	0.9
181.10114	4.6
182.07286	0.8
182.10860	2.5
183.08090	3.1
183.11687	11.5
184.08813	0.6
184.12428	0.6
185.09644	2.0
185.13248	2.4
187.11203	1.3
187.14748	0.6
191.08533	0.7
192.09306	1.4
193.10110	5.3
194.10902	0.8
195.08049	1.3
195.11679	5.4
196.08891	1.6
196.12433	2.4
197.09615	6.0
197.13254	10.9
198.10275	0.3
198.14024	0.5
199.11189	2.4
199.14848	1.1
201.12718	0.6
205.10146	0.6
206.10878	1.7
207.11678	5.9
208.12466	1.2
209.09644	0.8
209.13237	4.1
210.10422	1.2
210.13942	1.2
211.11177	14.1
211.14752	6.1
212.11894	0.8
213.12775	1.5
213.16277	0.4
219.11681	3.1
220.12395	1.0
221.13223	6.1
222.13995	1.2
223.11284	2.1
223.14799	3.2
224.11993	1.4
224.15622	1.0
225.12735	9.2
225.16199	2.3
226.13420	0.8
233.13208	3.5
234.14024	2.2
235.14796	1.7
237.12807	2.6
237.16348	7.4
238.13629	1.1
238.17099	1.2
239.14288	7.6
239.17940	3.8
240.15106	0.3
248.15628	3.1
251.14293	2.0
251.17964	0.6
252.15138	1.3
253.15857	2.1
253.19498	13.0
263.17944	12.4
266.16687	1.8
274.31534	0.2
280.35828	0.2
281.18982	100.0
282.19333	1.7
282.27942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01863	5.8
55.05510	9.9
56.96568	1.5
57.03431	7.1
57.07088	3.1
59.04993	1.5
61.02914	5.3
67.05509	12.7
69.03425	8.3
69.07073	14.2
69.54775	13.1
71.01331	1.7
71.04989	7.8
71.35638	1.4
73.02885	1.5
78.50086	1.4
79.05489	20.8
81.03413	5.8
81.07063	33.5
83.04972	5.6
83.08624	4.2
85.02901	4.3
85.06548	3.7
85.63133	1.5
91.05484	27.7
93.07047	27.0
95.04969	7.3
95.08615	22.9
97.02880	5.1
97.06514	4.0
98.21539	3.0
99.04443	6.0
103.03951	4.1
105.07028	44.1
107.04935	4.8
107.08601	29.5
109.06516	9.4
109.10162	10.6
111.04429	5.0
111.08083	4.8
115.03918	4.0
117.07025	7.4
119.08585	41.3
119.09439	1.7
121.06530	7.6
121.10159	12.8
123.04438	2.7
123.08077	10.4
123.11698	6.2
128.06232	4.1
129.07028	7.0
131.08563	14.1
133.06480	5.1
133.10138	40.6
135.08051	6.0
135.11684	10.6
137.05966	2.0
137.09624	3.2
137.13249	3.5
139.07535	1.6
141.06976	2.9
142.07782	3.7
143.08546	14.7
144.09328	3.5
145.06490	1.7
145.10143	12.8
146.07280	3.8
147.08041	15.9
147.11678	9.8
149.09616	5.3
149.13268	6.4
151.02786	2.6
151.07538	2.4
151.11212	3.2
152.03453	1.7
153.12717	4.4
155.08551	4.6
156.07796	1.7
156.09306	3.3
157.10156	13.0
159.08046	3.6
159.11667	17.1
161.02933	3.4
161.08279	3.1
161.09615	40.8
161.13255	7.9
163.05045	3.6
163.11223	4.9
165.09085	4.8
165.12828	2.8
167.08611	3.4
168.09370	1.9
169.10106	15.1
170.10953	2.0
171.08067	3.6
171.11682	13.3
173.09645	8.0
173.13293	7.2
175.11179	4.0
175.14835	2.3
177.12724	10.6
179.08626	2.4
179.10681	5.0
179.14240	1.9
180.09349	3.1
181.10146	5.9
182.07272	5.7
182.10886	3.9
183.08080	1.5
183.10214	2.5
183.11710	16.8
185.09694	4.7
185.13283	8.6
187.11211	3.6
187.14772	2.2
189.09126	5.7
189.12764	6.0
191.14308	7.4
193.10144	6.9
194.10866	2.1
195.11649	10.2
196.08824	5.6
196.12480	3.4
197.09654	10.5
197.11588	2.0
197.13275	17.4
199.11234	4.7
199.14850	5.0
199.39870	1.7
201.12717	4.3
203.14319	6.5
205.12178	2.5
206.10846	4.1
207.10121	1.9
207.11745	9.8
207.13600	2.7
208.12479	4.7
209.13277	9.7
210.10440	2.3
210.14040	2.1
211.11205	13.1
211.14847	12.9
212.11909	2.1
213.12581	1.9
215.14282	2.4
217.15851	2.8
219.11517	5.7
219.13654	2.6
220.12404	1.9
221.13274	9.7
221.15379	4.0
222.14015	6.0
223.14789	4.5
224.11865	1.7
225.12883	8.3
225.16324	3.4
227.14293	3.0
233.13228	10.1
233.15474	3.9
234.14101	3.3
235.14870	2.9
237.12616	2.7
237.16519	13.2
239.14279	5.1
239.17982	6.0
245.15323	10.5
248.15630	4.9
251.14229	3.9
251.16493	2.8
253.19507	15.9
263.16281	11.4
263.18112	13.3
266.16864	3.0
281.13870	20.2
281.18927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03948	8.3
55.01856	4.4
55.05514	40.6
57.03437	30.7
57.07047	5.1
65.03921	3.9
67.05505	90.4
69.03403	6.3
69.07066	22.8
70.36551	1.8
70.36887	6.9
71.04958	5.6
71.08602	2.2
73.06536	3.2
77.03918	2.3
79.05496	100.0
80.70764	1.5
81.03420	16.4
81.07061	86.5
83.04983	34.4
83.08624	12.1
85.02870	2.9
85.06527	4.4
91.05480	69.5
92.05779	2.0
92.12088	1.6
93.07046	79.2
95.04977	31.0
95.08609	58.5
95.91567	1.9
97.02856	4.1
97.06536	12.7
97.10188	9.8
98.21474	2.0
99.08128	1.8
99.34384	2.0
103.05392	2.5
105.07034	54.3
107.04964	8.7
107.08598	34.2
109.02888	2.9
109.06512	12.0
109.10160	16.5
111.08041	4.2
113.09636	4.0
117.07022	10.6
119.08589	38.2
121.06508	4.3
121.10156	10.6
123.08080	10.1
123.11658	6.3
125.09629	2.2
127.07558	3.0
128.06195	4.3
129.07011	21.7
131.08551	5.3
133.06436	2.6
133.10136	16.2
135.08000	2.9
135.11661	7.4
137.13184	4.5
142.07782	2.6
143.08540	13.6
145.10141	17.1
147.07977	7.3
147.11693	50.3
149.02327	2.0
150.02638	2.6
151.02795	3.8
151.11290	1.9
155.08604	2.3
156.09256	3.4
159.11629	3.0
161.09537	7.4
161.13235	20.1
163.11156	3.1
165.08994	2.6
169.10071	3.9
171.11690	33.9
177.05530	2.3
177.12770	2.4
183.11607	2.5
189.12766	17.9
199.14774	2.3
207.11899	2.8
207.13774	20.1
211.14944	2.1
243.39137	2.0
263.16269	2.3
281.07813	4.8
281.10623	2.2
281.17358	68.4
281.24826	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.0
53.03928	6.1
55.01852	5.1
55.05270	2.7
55.05506	39.7
56.86507	2.3
57.03438	29.3
57.07061	3.5
65.03919	5.8
67.05503	100.0
69.03436	12.4
69.07064	23.3
71.04964	6.0
71.59592	4.4
79.05490	98.8
81.03414	11.5
81.06597	4.3
81.07055	75.7
83.04981	42.4
83.08606	10.6
85.02878	4.3
85.06535	5.0
87.04462	2.9
91.05476	70.5
93.07038	78.1
95.04468	2.6
95.04975	34.3
95.08604	55.2
97.02850	5.3
97.06503	9.3
97.10140	8.1
97.10712	2.1
97.66206	2.1
98.97593	2.8
103.05451	2.5
103.82584	2.1
105.07032	59.3
107.04906	9.1
107.08595	38.6
109.06516	12.7
109.10168	22.2
111.04386	2.7
111.08035	2.3
115.05402	2.5
117.07027	13.0
119.04922	2.4
119.07785	3.6
119.08561	37.9
121.06431	7.6
121.10149	14.9
123.08092	11.6
123.11631	3.8
128.06136	3.9
129.07005	22.7
131.08507	9.8
133.06502	5.0
133.10126	19.9
135.08064	16.0
135.11649	9.6
137.09557	3.2
137.13208	5.1
139.11143	3.8
143.08571	11.9
145.10078	18.0
147.06734	2.5
147.07982	6.3
147.11679	47.7
150.02623	3.9
151.11139	2.3
155.08501	2.3
156.09328	4.0
158.70715	2.1
159.11581	6.6
161.09576	5.5
161.13222	23.0
163.14775	2.8
165.09070	3.6
165.12712	4.5
171.10289	2.5
171.11681	38.9
173.13239	3.2
177.12688	3.0
180.52402	2.1
181.04915	2.4
185.13187	2.5
189.12744	19.7
203.14252	3.4
207.13785	19.9
221.07910	2.8
235.16724	2.6
245.15276	4.0
263.16293	12.1
263.23560	3.2
281.10358	2.5
281.17380	79.2
281.24551	5.2
296.27655	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Pestalotheol C
Peak:m/z	Relative Intensity
53.03933	5.5
55.01883	7.9
55.05272	2.0
55.05507	26.7
57.03439	21.8
57.07085	9.1
61.55019	1.6
65.03905	2.9
67.05501	63.6
69.03397	4.4
69.07065	20.2
70.07400	1.5
70.13191	3.7
70.13580	4.5
71.04979	4.1
71.66774	1.5
79.05489	68.2
81.03388	6.4
81.06593	2.5
81.07050	49.3
83.04972	25.6
83.08618	10.4
85.02896	2.7
85.06529	8.4
91.05473	55.8
93.07043	55.1
95.04955	20.8
95.08596	33.7
96.14453	1.8
97.02834	2.2
97.06512	8.9
97.10144	4.9
99.04433	3.1
99.08067	2.3
103.05432	2.6
105.07021	37.6
107.04918	4.8
107.08586	21.6
109.06519	14.4
109.10159	14.3
111.04383	4.3
111.08028	1.9
115.05496	1.6
117.06995	9.9
119.08572	55.5
121.06471	3.6
121.10130	11.5
123.08022	10.0
123.11678	3.3
125.05968	2.0
125.09535	1.5
127.07533	2.1
128.06200	3.7
129.05457	1.7
129.06995	14.3
130.27913	1.5
131.08546	8.7
133.06419	3.5
133.10120	20.4
135.08005	6.4
135.11656	5.9
137.05174	1.5
137.05971	15.1
137.09570	6.0
143.08548	11.3
145.10130	13.2
147.08038	62.6
147.11682	34.1
149.09610	12.2
149.13206	2.4
150.02649	2.9
151.02907	1.7
151.07494	2.9
151.11150	9.5
156.09286	1.9
157.10065	4.8
159.11638	4.0
161.09572	13.7
161.13251	14.7
162.10234	1.8
163.11145	5.9
165.07793	2.1
165.09116	42.0
169.10071	1.9
171.11661	24.4
173.13257	1.9
175.11105	7.4
175.14827	4.4
177.12689	2.4
179.10600	2.3
185.13239	2.7
189.12767	12.7
189.16354	3.5
191.14297	4.9
193.08441	2.4
199.14709	3.3
203.14281	2.8
207.10054	2.6
207.13792	11.4
217.15903	12.3
225.11044	4.1
235.16956	15.6
245.15440	4.0
253.17918	29.9
263.16385	41.1
281.17380	100.0
282.17694	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03944	7.5
55.01878	2.7
55.05510	35.6
56.96571	3.3
57.03438	28.2
57.07072	4.5
59.96487	2.0
62.63368	2.1
65.03926	3.8
67.05505	85.5
68.46391	2.3
69.03430	6.8
69.07066	25.5
71.04987	6.9
71.42538	2.8
71.42863	2.8
79.05495	100.0
80.48113	2.1
81.03419	18.8
81.07056	70.0
83.04986	37.1
83.08619	10.9
85.02898	4.3
85.06535	6.8
91.05480	85.8
93.07047	73.6
95.04961	31.0
95.08043	4.3
95.08608	46.2
97.02917	3.3
97.06521	6.7
97.10164	9.2
99.04475	2.2
99.08100	3.4
105.04452	2.4
105.07030	49.8
105.07683	3.8
107.04958	8.5
107.08603	28.8
109.02902	2.7
109.06500	9.4
109.10162	14.6
111.08102	3.5
113.09615	3.4
116.98512	2.9
117.07028	13.0
119.08588	32.5
119.96249	2.3
121.06509	5.2
121.10146	9.8
123.08075	8.7
128.06213	3.3
129.06992	19.0
131.08617	3.2
133.10121	19.5
135.11641	4.3
137.13222	3.2
143.08563	9.8
145.10127	14.8
147.08044	3.8
147.11684	39.5
149.02316	2.8
149.13286	2.5
150.02686	2.9
151.02855	4.8
151.11198	2.3
151.74287	2.4
157.10074	2.5
159.11685	3.6
161.09641	6.1
161.13249	16.6
163.11185	2.2
169.10165	3.9
171.11691	32.4
189.12762	15.9
190.96764	2.5
193.12218	2.4
207.13770	16.7
211.28540	2.3
225.12791	2.0
272.42712	2.0
281.17340	67.3
281.22610	5.1
299.08105	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03930	5.3
55.01855	4.3
55.05510	28.9
57.03190	2.2
57.03433	25.3
57.07044	2.9
65.03913	3.0
67.05503	84.1
69.03431	2.1
69.07068	21.9
69.53162	17.3
71.04965	2.8
79.05488	100.0
81.03420	14.2
81.07055	70.5
83.04980	40.9
83.08617	10.9
85.06508	4.1
86.45210	1.9
91.05478	61.4
92.07823	2.2
93.07039	73.5
95.04475	2.7
95.04976	32.8
95.08598	35.4
97.06495	5.2
97.10142	8.3
103.45744	2.1
105.04492	3.8
105.07031	56.1
107.04939	8.7
107.08596	28.2
109.06498	8.7
109.10149	10.5
111.08077	2.2
111.11688	2.3
117.07011	10.9
119.08575	27.9
121.06461	6.0
121.10100	5.5
123.08030	9.1
128.06183	2.2
129.07004	15.8
131.08510	5.7
133.10126	17.2
135.11664	5.5
143.08594	10.3
145.10103	13.4
147.07986	4.4
147.11688	42.8
161.09583	6.3
161.13271	18.4
171.11671	35.6
189.12738	16.2
207.13779	20.5
216.06981	2.4
243.99983	2.4
247.99767	2.1
263.16202	3.4
281.17374	69.1
281.24521	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03936	7.8
55.01862	5.2
55.05514	35.7
57.03187	3.0
57.03438	34.4
57.07058	4.4
58.06581	7.7
65.03933	3.7
67.05505	100.0
69.03414	5.1
69.07074	20.4
71.04987	5.4
71.57932	2.2
72.96847	2.0
73.06550	4.4
75.43951	1.7
79.05492	95.8
79.65221	1.8
81.03422	11.2
81.07058	65.7
82.20790	1.6
83.04982	40.0
83.08617	13.1
85.02890	5.0
85.06542	6.7
91.05478	67.8
93.07047	84.6
95.04970	30.0
95.08607	49.8
97.02864	3.0
97.06544	9.8
97.10160	6.6
99.04479	1.7
99.08083	1.9
105.07029	57.8
107.04949	6.7
107.08590	19.4
109.06538	10.1
109.10168	12.3
111.04462	1.8
111.08075	2.4
115.05390	2.6
117.07019	13.9
119.08584	33.1
121.06490	4.5
121.10136	7.1
123.08058	9.8
123.11703	4.1
128.06201	4.4
129.06999	22.4
131.08577	5.8
133.10132	17.1
135.08028	2.9
135.11649	5.5
141.06929	2.0
143.08557	12.2
145.10098	14.8
146.10443	2.1
147.08052	5.8
147.11694	50.1
149.02322	3.7
150.02731	3.0
151.07573	3.8
161.09650	6.4
161.13249	17.5
163.11153	1.8
169.10127	2.3
171.11696	36.1
179.08727	1.9
183.11699	2.4
187.14798	2.1
189.12718	13.3
197.13210	2.9
206.16159	2.3
207.13800	14.5
221.13098	2.7
223.16866	2.8
224.17236	9.8
253.19487	2.8
263.17944	2.5
264.20270	2.2
281.17209	52.1
281.22827	27.2
286.68332	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01873	9.0
55.05511	15.3
56.96573	6.2
57.03435	18.0
57.07074	5.0
59.04989	1.6
61.02927	3.0
67.05511	24.3
69.03437	16.0
69.07072	28.4
70.01777	7.0
70.07385	1.8
71.05003	8.7
73.02928	2.8
79.05502	22.2
81.03425	8.8
81.07060	46.5
83.04981	8.4
83.08621	5.4
85.02920	7.0
85.06539	4.1
87.04466	3.5
88.18249	2.1
91.05486	41.4
93.07056	45.2
95.04981	10.4
95.08617	33.0
97.02893	8.3
97.06541	7.2
97.10175	6.9
98.97598	8.4
99.04459	16.2
99.08087	2.3
103.03943	2.6
105.07041	84.9
107.05014	4.9
107.08602	36.8
109.02885	7.4
109.06519	15.2
109.10179	15.7
111.04458	6.8
111.08088	6.0
113.06028	4.7
115.03926	3.0
115.05382	4.2
116.98619	4.8
117.07017	11.6
119.01898	2.7
119.08589	69.5
121.06524	7.6
121.10143	17.3
123.04453	2.0
123.08071	15.3
123.11708	7.7
124.46783	2.0
125.05995	3.5
125.09644	3.7
127.03925	2.2
127.07574	2.5
128.06244	9.5
129.05499	4.1
129.07016	10.0
131.04997	1.8
131.08572	16.2
133.06506	7.6
133.10139	81.2
134.99744	3.5
135.08070	10.8
135.11693	15.1
137.05989	2.9
137.09645	4.3
137.13254	5.4
139.07486	2.2
139.11215	4.3
141.07068	2.9
142.07776	3.7
143.01891	2.9
143.08548	21.0
145.06465	4.4
145.10132	15.7
146.07295	8.6
146.51439	2.0
147.08063	35.5
147.11676	13.5
149.02344	2.4
149.09625	4.1
149.13312	6.3
150.02664	4.4
151.02826	4.0
151.07573	3.0
151.11227	4.3
153.12779	3.3
155.08606	5.1
156.07921	3.5
156.09340	4.1
157.10188	9.6
158.99672	2.7
159.11688	14.1
161.02962	3.7
161.09636	100.0
161.13269	6.9
163.02750	4.1
163.11148	3.8
165.09122	8.2
165.12784	3.5
167.08603	3.4
168.09482	1.8
169.10188	13.9
170.10963	3.1
171.08092	3.1
171.11732	10.5
173.08218	4.1
173.09715	6.0
173.13261	7.1
174.06874	3.4
175.11174	4.3
175.14940	3.1
177.00740	6.5
177.12794	9.3
179.08621	5.6
179.10660	11.7
181.04984	2.4
181.10178	8.3
181.60857	2.5
182.07324	4.4
182.11041	4.4
183.08301	2.6
183.10344	2.8
183.11699	15.5
184.12419	2.0
185.09654	3.6
185.11862	2.4
185.13315	6.7
187.11238	4.6
187.14821	3.2
189.09129	17.8
189.12697	3.2
190.11096	2.8
190.61324	4.9
191.11964	4.2
191.14346	6.9
193.10185	3.6
195.08095	2.4
195.10135	2.9
195.11748	8.5
196.08891	7.1
196.12549	2.7
197.09612	7.8
197.13293	16.4
199.11266	5.1
199.14778	4.0
199.61810	2.1
203.14285	4.5
206.10919	2.7
207.10080	4.5
207.11754	9.8
208.12561	3.3
209.13257	8.0
210.13951	2.0
211.11118	9.0
211.14853	8.9
213.12788	2.4
219.11536	6.6
219.13712	2.6
221.13272	9.0
221.15395	4.1
222.14105	3.3
223.14977	3.2
224.15508	2.7
225.12842	5.3
225.16411	3.2
227.14406	3.5
233.13211	6.6
233.15372	3.3
234.14220	2.7
235.14909	4.0
235.17061	2.1
237.16423	15.3
239.14394	4.0
239.17984	4.6
241.62886	3.6
242.13376	2.0
245.15475	10.4
248.15605	5.1
251.14304	3.1
253.19496	16.5
263.09158	2.4
263.16431	11.4
263.18161	7.9
271.64050	8.3
272.14221	6.6
280.64594	2.7
281.07645	2.7
281.10678	5.1
281.13919	66.4
281.18939	80.7
281.24173	2.9
303.71500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1383
Annotation	Linderagalactone B
Peak:m/z	Relative Intensity
50.05553	0.9
52.82590	0.9
55.01887	1.1
55.05503	3.6
57.03427	1.9
66.41525	0.9
67.05488	4.1
69.03429	9.1
69.07056	1.3
71.59101	1.3
71.59531	1.8
76.74760	0.9
79.05499	11.2
81.07054	5.9
82.07391	1.1
85.02894	2.7
87.04489	1.1
91.05479	15.0
93.07046	34.5
95.04967	4.6
95.08606	3.6
97.02894	100.0
97.06538	1.3
99.04459	2.5
105.07023	6.1
107.08582	9.0
107.65109	1.0
109.06509	1.3
109.10142	1.3
110.82381	0.9
111.04444	1.0
115.03927	2.4
117.05489	2.3
117.07000	6.9
119.08584	81.7
121.06506	1.6
121.10148	25.1
123.08126	1.3
129.07001	2.0
131.08563	3.9
132.62169	0.9
133.06485	1.2
133.10136	2.3
135.08086	2.0
135.11682	1.5
137.06062	1.1
138.13629	1.9
143.08563	2.1
145.06465	1.7
145.10117	2.7
147.08119	1.8
149.06006	1.3
149.09618	7.4
150.77228	1.0
157.10118	1.2
159.08086	1.6
161.09584	1.4
163.07611	1.3
163.11217	1.7
171.08066	1.2
171.11732	1.4
175.26433	1.0
189.09093	1.4
191.10735	2.5
199.11143	1.2
217.12186	2.7
245.11839	2.8
263.12830	1.7
281.13882	6.3
281.19092	1.5
281.24567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01873	9.0
55.05511	15.3
56.96573	6.2
57.03435	18.0
57.07074	5.0
59.04989	1.6
61.02927	3.0
67.05511	24.3
69.03437	16.0
69.07072	28.4
70.01777	7.0
70.07385	1.8
71.05003	8.7
73.02928	2.8
79.05502	22.2
81.03425	8.8
81.07060	46.5
83.04981	8.4
83.08621	5.4
85.02920	7.0
85.06539	4.1
87.04466	3.5
88.18249	2.1
91.05486	41.4
93.07056	45.2
95.04981	10.4
95.08617	33.0
97.02893	8.3
97.06541	7.2
97.10175	6.9
98.97598	8.4
99.04459	16.2
99.08087	2.3
103.03943	2.6
105.07041	84.9
107.05014	4.9
107.08602	36.8
109.02885	7.4
109.06519	15.2
109.10179	15.7
111.04458	6.8
111.08088	6.0
113.06028	4.7
115.03926	3.0
115.05382	4.2
116.98619	4.8
117.07017	11.6
119.01898	2.7
119.08589	69.5
121.06524	7.6
121.10143	17.3
123.04453	2.0
123.08071	15.3
123.11708	7.7
124.46783	2.0
125.05995	3.5
125.09644	3.7
127.03925	2.2
127.07574	2.5
128.06244	9.5
129.05499	4.1
129.07016	10.0
131.04997	1.8
131.08572	16.2
133.06506	7.6
133.10139	81.2
134.99744	3.5
135.08070	10.8
135.11693	15.1
137.05989	2.9
137.09645	4.3
137.13254	5.4
139.07486	2.2
139.11215	4.3
141.07068	2.9
142.07776	3.7
143.01891	2.9
143.08548	21.0
145.06465	4.4
145.10132	15.7
146.07295	8.6
146.51439	2.0
147.08063	35.5
147.11676	13.5
149.02344	2.4
149.09625	4.1
149.13312	6.3
150.02664	4.4
151.02826	4.0
151.07573	3.0
151.11227	4.3
153.12779	3.3
155.08606	5.1
156.07921	3.5
156.09340	4.1
157.10188	9.6
158.99672	2.7
159.11688	14.1
161.02962	3.7
161.09636	100.0
161.13269	6.9
163.02750	4.1
163.11148	3.8
165.09122	8.2
165.12784	3.5
167.08603	3.4
168.09482	1.8
169.10188	13.9
170.10963	3.1
171.08092	3.1
171.11732	10.5
173.08218	4.1
173.09715	6.0
173.13261	7.1
174.06874	3.4
175.11174	4.3
175.14940	3.1
177.00740	6.5
177.12794	9.3
179.08621	5.6
179.10660	11.7
181.04984	2.4
181.10178	8.3
181.60857	2.5
182.07324	4.4
182.11041	4.4
183.08301	2.6
183.10344	2.8
183.11699	15.5
184.12419	2.0
185.09654	3.6
185.11862	2.4
185.13315	6.7
187.11238	4.6
187.14821	3.2
189.09129	17.8
189.12697	3.2
190.11096	2.8
190.61324	4.9
191.11964	4.2
191.14346	6.9
193.10185	3.6
195.08095	2.4
195.10135	2.9
195.11748	8.5
196.08891	7.1
196.12549	2.7
197.09612	7.8
197.13293	16.4
199.11266	5.1
199.14778	4.0
199.61810	2.1
203.14285	4.5
206.10919	2.7
207.10080	4.5
207.11754	9.8
208.12561	3.3
209.13257	8.0
210.13951	2.0
211.11118	9.0
211.14853	8.9
213.12788	2.4
219.11536	6.6
219.13712	2.6
221.13272	9.0
221.15395	4.1
222.14105	3.3
223.14977	3.2
224.15508	2.7
225.12842	5.3
225.16411	3.2
227.14406	3.5
233.13211	6.6
233.15372	3.3
234.14220	2.7
235.14909	4.0
235.17061	2.1
237.16423	15.3
239.14394	4.0
239.17984	4.6
241.62886	3.6
242.13376	2.0
245.15475	10.4
248.15605	5.1
251.14304	3.1
253.19496	16.5
263.09158	2.4
263.16431	11.4
263.18161	7.9
271.64050	8.3
272.14221	6.6
280.64594	2.7
281.07645	2.7
281.10678	5.1
281.13919	66.4
281.18939	80.7
281.24173	2.9
303.71500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1021
Annotation	Zhepiresinol
Peak:m/z	Relative Intensity
55.01862	3.3
55.05505	2.9
57.07073	1.4
61.02922	2.3
69.58143	8.4
69.58551	2.6
71.01349	1.0
79.05494	1.5
81.07070	1.8
85.02902	1.4
86.09684	2.2
91.05476	10.1
93.07042	5.6
95.04967	3.6
95.08588	1.3
98.93623	1.2
103.03943	1.6
105.07045	5.4
107.04971	5.7
107.08565	1.2
109.02837	1.5
115.05472	2.5
117.07057	1.4
119.04964	16.4
119.08562	1.6
120.08108	3.7
121.06490	11.0
121.08427	1.9
129.06993	1.5
130.15843	1.1
131.04909	2.5
131.08485	1.4
133.06494	7.5
134.03648	1.3
137.05986	1.5
143.04887	2.0
145.02837	1.9
145.06505	2.6
149.02345	1.1
149.05984	50.8
150.02727	1.8
151.02759	1.4
158.03633	1.5
159.04393	2.1
161.05992	70.3
163.07524	5.0
171.04420	2.1
173.05992	10.5
175.07541	2.5
177.05511	3.2
184.05086	1.4
185.05991	13.5
191.07008	5.8
201.05486	6.9
203.05276	2.3
203.07040	29.7
209.33649	1.3
213.05486	2.9
217.08722	1.4
221.08099	100.0
222.08501	1.5
233.08136	6.5
263.09204	1.2
281.10211	90.6
282.10532	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20478	0.4
53.03939	0.5
55.05512	15.0
57.07070	2.1
58.06601	10.4
67.05178	0.3
67.05506	5.0
69.07069	14.4
70.22617	0.3
71.08625	0.4
72.08161	0.7
79.05493	1.2
81.07063	4.7
83.08145	0.5
83.08624	8.6
86.82298	0.3
91.05453	0.4
93.07053	0.9
95.08604	5.0
96.08922	0.4
97.10170	4.2
105.07026	0.5
107.08585	0.9
109.10180	2.2
110.06818	0.4
111.11726	1.2
119.08583	0.8
121.10130	0.3
121.70930	0.3
123.11738	0.8
133.10110	0.6
143.08539	0.4
145.10135	0.5
147.11702	0.5
149.02348	3.5
150.02684	3.5
155.08566	0.7
157.10153	1.1
159.11699	1.0
165.06940	0.3
167.08543	0.4
169.10167	1.2
171.11697	0.6
181.10109	0.5
182.10901	0.6
183.11685	1.8
185.13258	0.5
193.10100	0.8
195.11667	0.8
197.09634	0.5
197.13231	1.6
207.11729	0.8
209.13206	0.9
209.45534	0.3
210.14192	0.3
210.22182	1.3
211.11156	1.3
211.14806	0.9
219.11646	0.9
221.13261	1.0
223.14854	0.7
224.23631	0.4
225.12784	1.4
225.16400	0.6
233.13203	1.8
234.13879	0.5
235.14580	0.4
237.16417	0.9
239.14284	1.2
248.15594	1.2
251.14287	0.5
251.31819	0.3
253.19545	1.8
253.21815	0.3
263.18042	2.0
280.29987	100.0
281.19006	13.6
281.30338	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	280.2271
Annotation	Micropine
Peak:m/z	Relative Intensity
55.05501	3.7
55.74202	1.7
57.07073	2.3
58.06592	1.4
60.04523	37.7
67.05507	8.8
69.07069	8.2
70.06578	7.3
70.63607	5.4
72.08161	2.0
79.05481	5.3
81.07054	24.0
83.08607	2.3
91.05469	9.4
93.07056	11.8
95.08608	30.1
105.06380	2.7
105.07029	34.7
107.08589	14.7
109.10160	26.1
112.07611	3.6
119.08582	38.9
121.10163	10.0
123.11671	7.9
133.10121	20.3
135.11626	2.6
137.13277	3.1
145.10117	2.5
147.11682	57.4
149.13181	1.3
150.02705	1.6
151.11093	1.7
161.13252	12.9
163.14824	3.1
165.12724	2.0
175.14786	2.7
189.51685	1.6
191.17595	1.4
203.17946	100.0
204.18265	5.1
220.20612	4.3
221.19009	2.7
238.13516	3.3
238.21690	2.1
262.21658	18.0
278.82074	1.9
280.18457	3.3
280.22696	78.6
281.23166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.6
53.03946	0.6
55.01872	0.6
55.05511	11.7
56.96558	1.3
57.03421	0.8
57.07077	30.7
57.52336	0.5
58.07414	0.7
59.05004	5.6
61.87223	0.5
65.03940	1.4
67.05506	9.0
69.03435	2.1
69.07069	50.4
70.10156	2.3
71.04996	1.7
71.08630	15.0
77.55971	0.5
79.05494	4.8
81.07058	27.0
83.04989	1.1
83.08621	20.9
85.02881	0.8
85.06550	2.0
85.10184	1.1
91.05489	2.4
93.07051	11.7
95.04948	1.8
95.08607	27.5
97.02894	2.5
97.06532	3.2
97.10179	4.6
98.97591	1.5
99.08110	1.5
105.07030	2.0
107.08600	11.2
109.10158	17.3
111.08071	2.1
111.11718	7.2
113.13288	1.4
116.98628	1.3
117.07064	0.8
119.04950	1.9
119.08566	1.1
121.02885	3.9
121.10138	8.4
123.11705	13.5
125.09611	1.0
125.13289	2.5
131.08554	0.8
133.10178	1.1
135.11688	7.8
137.13246	5.8
139.11192	1.4
141.12764	1.5
145.10123	0.6
147.04410	7.6
147.11781	0.8
149.02344	100.0
149.13248	8.9
150.02673	3.3
151.14822	2.0
153.12749	3.6
153.80901	0.5
155.14366	0.8
159.11708	0.9
163.14827	2.3
167.03404	3.0
167.14299	1.5
177.16408	2.6
179.17888	0.8
181.05025	0.7
183.17516	0.6
191.08630	0.6
191.17966	2.3
205.08643	1.0
205.19456	2.8
209.19081	1.3
215.14455	0.8
219.08112	1.9
221.08348	0.5
223.09746	0.6
223.20631	1.0
237.02753	0.6
247.07570	0.8
251.10672	0.6
261.14899	1.0
261.22153	0.6
261.22772	0.7
261.25809	8.9
279.10291	3.0
279.15817	0.8
279.26831	41.0
280.27234	0.8
290.88321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
55.05513	7.0
55.35002	1.3
57.07070	7.7
65.03939	2.4
67.05508	100.0
69.07074	9.2
69.69713	9.7
71.04979	2.0
79.05502	9.4
80.73009	1.5
81.07062	96.3
81.09815	1.2
82.07409	1.7
83.04988	1.8
83.08630	4.2
87.37117	1.3
91.05496	3.7
93.07033	9.1
95.08613	79.7
97.06559	2.5
97.10178	3.1
98.21426	1.6
100.60770	1.4
105.07043	3.4
107.08588	7.7
109.10161	27.4
117.07026	1.7
119.08578	3.4
121.02821	1.7
121.10143	6.6
123.08102	1.7
123.11716	16.9
131.08588	6.5
133.10155	2.7
135.11716	5.6
136.11894	1.4
137.09633	1.8
137.13232	10.4
145.10132	1.5
146.06822	1.4
147.11710	2.7
149.02356	35.5
149.09624	1.8
149.13254	4.6
151.14868	4.0
159.11688	3.5
163.11214	1.6
163.14833	2.1
173.13258	8.5
177.12846	1.7
181.12282	2.3
187.14806	2.5
191.14278	2.7
195.13831	3.5
201.73940	1.3
209.15428	5.2
223.16890	4.1
243.21051	2.9
261.22256	3.2
279.23227	30.7
280.23517	2.0
282.06906	1.3
293.53912	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03937	0.8
53.97136	0.5
55.05511	8.3
57.07076	5.1
65.03947	1.8
67.05504	96.3
68.05845	0.8
69.07067	8.2
69.93133	1.5
69.93550	1.5
71.04985	1.3
71.08604	1.0
79.05489	12.2
80.05813	0.6
81.07056	100.0
82.07388	0.9
83.04978	1.6
83.08623	5.0
85.06513	1.1
91.05494	3.6
93.07041	10.9
95.05016	0.6
95.08607	79.9
95.34141	0.6
96.08945	1.0
97.06520	1.5
97.10136	2.4
103.45475	0.5
105.07007	3.0
107.08598	7.3
109.06559	0.8
109.10155	24.3
111.08093	0.8
111.11702	0.7
114.81747	0.5
117.07021	1.6
119.08584	2.3
121.02926	0.9
121.06475	0.6
121.10152	6.3
123.08085	1.5
123.10819	0.9
123.11705	14.6
123.12573	0.9
127.07506	1.0
131.08574	4.5
133.10168	2.4
135.08061	0.8
135.11682	5.3
137.09641	1.1
137.13251	9.9
141.09087	0.7
145.10146	2.3
147.11716	2.6
148.11453	0.5
149.02342	24.4
149.09607	1.8
149.13231	4.1
150.02707	0.6
151.11256	0.6
151.14851	3.9
159.11681	2.6
161.13240	1.5
163.11198	1.6
163.14893	2.2
165.12796	0.8
165.16400	0.5
167.10649	0.7
173.13252	4.4
173.96674	0.5
177.12753	1.9
177.16411	0.6
179.14299	1.0
181.12285	1.8
187.14828	1.8
191.14313	2.0
195.13872	2.8
209.15349	3.7
223.16939	3.5
237.18454	0.8
243.20981	2.4
261.22150	3.0
279.23190	27.6
280.23428	0.7
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
55.05507	7.4
57.07080	5.2
57.12351	0.8
65.03930	1.4
67.05502	85.9
68.05813	1.1
69.07073	9.0
70.16857	3.5
71.04990	1.3
79.05482	8.9
79.59673	0.8
81.07053	100.0
81.34895	0.8
82.07386	1.7
83.04983	0.9
83.08595	4.6
91.05482	2.3
93.07051	6.5
95.00809	0.8
95.08604	80.7
96.08881	1.0
97.06532	1.4
97.10182	4.0
105.07022	2.6
107.08597	6.0
109.10152	55.7
111.11697	2.2
117.06994	1.4
119.08585	2.9
121.02842	0.7
121.10119	6.5
123.08063	1.1
123.11701	36.9
131.08569	3.5
131.50529	0.8
133.10110	3.1
135.11699	5.2
137.09627	1.3
137.13252	13.8
145.10170	2.1
147.11691	3.2
148.16730	0.8
149.02338	32.2
149.09602	1.0
149.13257	2.3
150.02708	1.0
151.11072	1.1
151.14798	4.5
159.11729	2.9
161.13229	2.0
163.11143	2.2
163.14787	1.8
165.12778	1.4
166.89626	0.8
167.10768	1.1
173.13264	3.8
177.12793	1.6
177.16423	0.9
179.14351	1.8
181.12177	1.7
187.14830	3.6
191.14250	1.5
195.13786	3.7
205.15840	0.9
209.15388	2.7
219.21030	0.9
223.16948	3.0
237.18494	2.2
243.21146	3.3
261.22186	5.6
279.23184	70.1
280.23547	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
56.44572	0.4
56.96558	0.8
57.03429	0.6
57.07074	13.0
58.55219	0.5
65.03929	1.2
66.50396	0.5
67.05499	1.0
69.03412	0.6
69.07070	1.8
69.62102	2.4
69.62512	0.9
71.05002	0.8
78.58392	0.4
79.05486	0.9
81.07059	1.4
83.04976	0.6
85.02892	0.9
86.09704	72.7
91.05468	1.7
93.03397	0.4
93.07045	1.7
95.08615	1.4
97.02885	0.9
97.06484	0.5
98.97596	2.9
103.05486	3.2
105.07015	1.2
106.03755	0.5
107.08597	1.2
109.02901	0.6
109.06512	0.5
109.10178	0.9
114.05491	0.4
116.98639	2.6
119.08573	1.2
120.08104	56.8
121.02846	4.3
121.08456	0.9
121.10113	0.6
131.08540	1.0
132.10176	1.0
133.10139	1.4
134.99663	1.0
135.11693	0.8
145.06557	0.5
146.99690	0.5
147.04396	1.1
147.07964	0.5
149.02339	100.0
150.02644	1.9
153.00722	0.5
158.99644	0.6
166.08653	6.4
167.03423	2.5
173.09508	0.5
174.79362	0.5
175.11252	0.4
175.14825	1.1
177.00688	2.3
181.04898	0.7
189.00769	0.6
190.05023	0.7
190.07692	0.6
191.02357	0.5
205.08543	1.6
219.05814	0.6
233.16640	0.9
244.99716	0.7
251.10709	0.6
279.10159	1.4
279.17059	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	279.1706
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
51.93025	0.4
55.01858	0.4
56.96579	0.4
57.07078	7.6
65.03951	0.7
67.05521	0.4
69.07088	0.5
69.27998	4.2
79.05483	0.5
81.03409	0.5
81.07075	0.7
83.21088	0.3
86.09710	74.4
87.10039	1.0
91.05493	1.5
93.03364	0.5
93.07047	2.4
95.08564	0.7
97.02914	0.7
98.20692	0.7
103.05485	4.9
105.07035	0.7
107.08616	0.7
109.06541	0.4
109.10136	0.5
116.98629	0.4
119.08584	0.8
120.08110	100.0
121.02880	1.8
121.08430	1.5
121.10068	0.4
132.10182	1.7
132.95984	0.4
137.09717	0.4
144.91423	0.4
147.04391	0.8
149.02351	45.4
150.02592	0.7
166.08633	7.2
167.03374	1.4
200.04578	0.3
205.08572	0.6
220.04292	1.5
233.16603	1.8
261.14691	0.5
279.17126	8.3
302.62485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
56.96577	0.6
57.07077	10.3
65.03944	1.1
65.26986	0.3
67.05505	0.9
69.07063	12.0
69.73048	1.7
69.73475	1.0
71.04990	0.4
79.05499	0.8
81.07069	0.5
83.04982	0.9
84.04552	0.4
85.02873	0.6
86.09705	100.0
87.10040	1.2
91.05447	2.0
93.03407	0.6
93.07043	0.9
95.08557	0.5
97.02852	0.7
98.97553	0.4
103.05492	1.1
105.03423	0.5
105.07030	0.6
107.04957	0.7
111.04474	0.8
116.98621	0.8
119.04944	1.3
120.08105	25.9
121.02874	3.5
121.08454	0.7
131.04948	0.7
132.10216	0.5
136.07578	1.6
143.00179	0.5
147.04401	4.1
149.02342	72.7
150.02672	1.7
161.01149	0.5
166.08644	5.6
167.03462	2.1
177.00760	1.1
205.08540	1.0
225.33514	0.5
233.16544	1.2
251.10295	1.0
279.17099	5.7
280.17325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
55.05507	0.6
57.05802	0.4
57.07076	5.7
58.06597	0.4
65.03951	0.5
67.05510	0.8
69.03431	0.2
69.07069	11.8
70.06586	0.3
71.56802	0.3
79.05487	0.4
81.07064	0.4
83.04977	0.6
85.02895	0.4
86.09707	100.0
87.10041	1.4
89.23988	0.2
89.55083	0.2
90.55805	0.2
91.05469	1.7
92.05856	0.3
93.07047	0.3
95.04989	0.4
95.08622	0.8
97.02886	0.4
98.97564	0.6
99.04490	0.3
102.19749	0.3
103.05461	0.4
105.07013	0.5
107.08610	0.3
109.10148	0.3
116.98598	0.4
117.06994	0.4
119.04962	0.9
119.08514	0.5
120.08105	10.1
121.02888	1.9
127.62225	0.3
131.08620	0.4
133.10104	0.3
135.08081	0.3
137.06003	0.7
138.06261	0.6
139.03850	0.3
143.08537	0.3
145.10104	0.5
147.04420	2.4
149.02347	38.2
150.02690	0.9
151.30418	0.2
158.99658	0.3
166.08641	4.9
167.03410	1.2
177.05470	0.6
205.08577	0.7
217.35139	0.3
219.07965	0.4
233.16525	0.6
236.08339	0.3
247.89143	0.3
261.14786	0.4
267.03998	0.3
279.03775	0.3
279.10016	0.9
279.17111	4.4
289.77914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1706
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
51.79685	0.4
55.05526	0.3
57.07080	8.0
61.14500	0.3
65.03951	0.6
67.05493	0.5
69.03441	0.6
70.77447	0.9
71.27456	0.4
76.48849	0.4
79.05504	0.8
81.07071	0.9
83.04995	0.8
86.09709	53.9
87.10047	0.9
91.05496	2.2
91.34995	0.4
93.07039	2.1
95.04988	0.7
95.08639	0.6
97.02916	1.4
98.97571	1.1
101.18554	0.4
103.05473	6.1
105.07040	1.4
107.04955	0.5
107.08605	0.8
109.06557	0.4
109.10155	0.4
116.98649	0.8
119.04949	1.0
120.08112	100.0
121.02895	2.5
121.03668	0.4
121.03938	0.3
121.08481	2.2
121.10164	0.6
131.04926	0.4
131.08681	0.4
132.05305	0.6
132.10217	1.5
134.99620	0.4
145.10080	0.4
147.04428	5.7
149.02350	60.2
150.02730	1.0
159.11699	0.4
161.05969	0.4
162.02222	0.5
166.08662	4.8
167.03397	1.4
177.00700	0.4
177.05507	0.5
181.04915	0.7
185.37198	0.4
189.00702	0.4
205.08569	0.9
213.08003	0.5
219.14020	0.5
230.99345	0.4
233.16501	1.4
249.07593	0.6
261.14822	0.5
279.08685	1.7
279.17108	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	279.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
56.96561	0.8
57.07080	11.5
64.62259	0.4
64.90693	0.5
65.03946	1.0
66.05196	0.4
67.05497	1.1
69.03416	0.6
69.07071	11.5
69.49030	4.2
70.06588	0.7
71.36010	0.5
79.05504	0.6
81.03414	0.6
81.07043	1.2
83.05004	1.1
85.02904	0.6
86.09706	100.0
87.10058	0.6
91.05493	1.7
93.07036	1.1
94.24020	0.4
95.04960	0.8
95.08598	1.1
95.71539	0.4
97.02889	0.7
98.97580	0.6
99.04491	0.6
103.05457	2.1
105.03371	0.7
105.07012	1.1
109.10163	0.7
116.98626	1.1
119.08585	0.7
120.08106	43.6
121.02885	2.8
121.08418	0.7
121.10143	0.6
121.13678	0.5
123.08060	0.5
132.10159	1.0
133.10091	0.6
134.99687	0.6
136.07579	0.6
147.04395	2.4
149.02344	80.8
149.09557	0.6
150.02692	2.1
166.08650	6.3
167.03455	2.8
174.51001	0.4
177.00784	0.5
177.05557	0.4
177.14932	0.4
190.05005	0.5
191.06985	0.7
205.08545	1.1
221.08099	0.7
223.09572	0.6
233.16412	1.6
261.14862	0.5
279.10095	0.5
279.17093	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	279.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
53.11563	0.5
55.05514	30.0
57.07077	13.1
57.75997	0.5
64.32079	0.5
65.03953	1.3
65.53077	0.6
66.24140	0.6
67.05499	1.7
69.07043	0.6
71.33536	0.9
81.07077	1.1
83.04985	74.6
85.48309	0.5
88.03506	0.6
91.05482	0.6
93.03374	0.6
95.08604	1.3
107.08556	0.8
109.10168	0.7
119.04920	0.7
121.02872	5.3
121.03797	0.8
147.04408	6.5
149.02348	100.0
150.02690	0.9
167.03412	2.2
179.07021	1.5
181.22008	0.5
190.04991	2.3
205.08600	0.8
219.05666	0.8
279.09457	1.0
279.23340	0.6
286.16034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10208	1.3
53.03961	2.0
54.15193	1.4
54.92195	1.4
55.05514	46.3
57.07081	11.9
61.42919	1.3
69.36887	15.2
76.37080	1.4
83.04984	100.0
121.02954	3.1
140.16948	1.3
147.04396	7.5
149.02348	83.6
167.03363	2.7
179.07062	2.2
219.05814	2.5
246.46667	1.4
279.09415	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05512	25.4
56.96568	0.8
57.07078	14.7
65.03924	1.2
69.07047	0.7
71.20784	0.6
71.21114	0.8
79.05488	0.5
83.04984	57.4
84.05305	1.1
91.05479	2.5
93.07045	0.6
95.08620	0.6
105.07013	1.0
119.04949	6.0
121.02882	4.2
121.03669	0.6
121.03948	0.6
121.10167	0.8
133.06503	1.9
133.10112	0.5
147.04416	16.4
149.02347	100.0
150.02721	0.6
161.05952	2.9
167.03404	3.0
179.07050	6.6
190.04936	1.1
205.08649	1.7
219.05681	0.8
267.87119	0.5
279.09637	1.1
279.23343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	10.3
61.43290	2.9
71.49085	4.7
77.41318	3.1
93.22063	3.6
94.93004	2.7
98.97584	19.2
105.79128	3.2
106.36239	3.0
116.98616	14.9
118.08654	10.3
121.02901	5.5
128.98647	6.8
134.99646	10.2
146.99609	3.2
149.02350	100.0
158.99673	8.8
162.11261	8.4
177.00734	18.6
189.00639	6.4
195.01825	3.1
207.01796	5.5
219.01755	4.0
236.88965	3.3
237.02762	3.7
278.96646	5.0
279.04773	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08463	0.7
55.01861	1.0
55.05511	0.8
56.05038	1.9
56.96563	16.2
57.06822	1.1
57.07076	14.4
60.08151	2.0
61.02896	0.7
65.03926	1.2
65.74904	0.6
67.05489	2.2
69.03409	2.9
70.06581	3.2
70.27904	3.1
71.04995	1.0
71.95262	1.2
72.08155	1.2
73.02920	1.0
74.02431	0.8
81.03407	1.0
81.07042	2.3
84.04493	3.1
84.08128	2.0
84.96024	1.4
85.02911	4.9
86.09694	2.6
87.04430	0.7
95.08599	1.6
97.02892	3.1
98.97585	74.3
99.97961	0.9
102.05475	0.9
107.08549	0.8
109.02868	1.2
110.02400	0.6
110.97576	14.7
116.07094	1.2
116.98622	74.4
119.01890	3.3
119.04948	0.8
121.01673	1.5
121.02846	4.3
123.11730	1.1
127.03891	1.2
128.98605	31.6
128.99568	1.6
129.05528	0.8
131.00165	1.1
131.01828	1.2
131.07396	0.7
133.03470	1.2
133.10091	0.6
134.99661	51.7
140.00188	2.8
140.02286	0.7
143.00139	2.5
143.85361	0.7
145.01620	0.8
145.03555	0.9
146.99663	35.6
147.04338	1.5
149.02339	100.0
152.05635	1.2
153.00728	9.8
158.01286	2.5
158.99655	25.0
161.01234	3.2
161.02936	2.0
163.02744	1.8
165.00732	6.3
166.05391	1.0
167.03389	2.1
170.01273	1.4
170.99660	11.7
171.05025	2.7
172.95345	0.8
173.01180	0.9
173.02995	1.1
175.02803	0.9
175.04419	0.9
177.00717	77.6
179.02176	0.8
184.04939	2.4
185.05672	1.0
188.09181	1.7
189.00722	41.0
189.06125	2.0
194.97922	1.1
195.01772	12.5
200.02327	5.3
201.00705	2.9
205.05392	0.8
205.08490	0.8
207.01776	27.9
212.02296	2.2
219.01764	9.1
219.05170	0.9
220.02608	1.3
221.04947	1.2
225.02855	2.9
230.03331	1.1
237.02834	14.8
249.02814	2.2
255.03917	8.3
261.02762	1.7
261.08377	1.7
279.03854	13.3
279.09732	8.3
279.12946	1.1
279.23199	1.3
297.04956	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	278.2842
Annotation	PERHEXILINE
Peak:m/z	Relative Intensity
53.83480	0.3
54.43504	0.3
55.05264	0.5
55.05513	6.5
57.07073	0.6
57.63140	0.3
58.06602	8.8
67.05505	14.6
69.06730	0.5
69.07071	4.6
70.85719	0.7
72.08111	0.5
79.05486	2.3
81.06580	0.7
81.07056	13.4
83.04976	0.6
83.08620	3.3
93.07066	1.8
95.08610	12.9
97.10170	1.0
98.09700	0.6
106.90730	0.3
107.08588	0.8
109.10156	4.7
120.33837	0.3
121.10131	0.8
123.11665	0.6
140.74405	0.3
149.02357	4.7
158.00279	0.4
208.20592	0.6
231.61726	0.3
255.79961	0.4
278.28421	100.0
279.28787	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28333	1.3
53.03951	1.3
54.87296	1.4
55.05501	2.5
57.07074	5.6
61.44250	1.3
61.92179	1.4
67.05499	6.4
68.73573	1.3
69.07063	8.7
69.87654	8.7
77.46202	1.3
79.05506	5.2
81.07061	100.0
93.07066	3.2
93.33650	1.4
94.74310	1.7
95.08609	40.6
98.98475	3.9
100.07728	1.3
105.52189	1.4
107.08618	1.9
109.10145	2.3
121.10160	3.8
124.18964	1.3
135.11740	2.7
137.13261	53.8
147.04451	2.2
149.02380	7.1
163.11205	1.4
175.67030	1.4
216.07472	1.8
235.11032	2.9
278.15186	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	278.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
57.07068	4.7
67.05511	7.4
69.07073	9.6
70.27538	1.4
71.08649	1.9
71.40725	2.8
79.05495	4.6
81.07066	100.0
88.58619	1.2
93.07064	4.2
95.08614	42.8
98.98466	4.9
100.11910	1.2
104.10729	1.2
105.03445	1.6
109.10154	3.2
121.10156	6.3
135.11710	3.8
137.13266	64.6
149.02350	5.1
163.11232	3.8
180.13780	2.4
235.10954	4.2
250.07918	3.6
255.16472	1.5
278.15021	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	278.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78845	1.6
57.07078	6.3
65.92571	1.5
67.05516	8.9
68.19580	1.4
69.07068	10.9
69.45387	11.2
69.45792	3.0
79.05503	4.2
81.07063	100.0
93.07050	4.1
95.08051	3.3
95.08617	48.4
97.02898	2.7
98.98506	4.4
105.03411	2.0
109.10210	2.7
121.10148	5.2
135.11719	4.0
137.13263	71.7
138.05540	2.3
147.04427	1.9
149.02342	10.2
163.11243	1.8
180.13823	1.7
235.10959	5.0
240.40689	1.9
278.10379	3.7
278.14996	3.3
280.37848	1.5
289.91019	1.6
290.41260	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.0
56.05029	3.0
57.07066	2.8
60.04517	3.2
67.05505	1.0
68.05027	7.3
69.03420	5.4
69.07034	1.0
69.25963	9.2
69.26292	1.7
71.05000	0.9
79.05497	0.9
81.07056	1.7
81.36053	0.8
84.04513	5.1
85.02905	2.6
86.06068	1.9
91.05497	0.9
93.07055	2.0
94.07410	0.9
95.04947	7.6
96.04500	14.3
96.75051	0.7
97.02896	77.4
98.20792	2.0
104.35510	1.0
105.03393	100.0
107.08617	1.5
110.06020	2.3
114.05534	18.0
115.03910	1.6
119.08627	1.0
138.05510	56.4
149.02350	16.6
156.06567	3.8
219.06549	1.3
278.10251	86.0
278.21219	4.4
279.10626	4.0
279.17508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1024
Annotation	N-Hydroxyannomontine
Peak:m/z	Relative Intensity
51.02375	0.7
53.03954	3.7
53.88853	0.5
56.05034	2.6
56.96571	0.6
60.04534	3.6
64.37795	0.5
68.05030	7.9
69.03429	7.2
69.58347	4.0
69.58668	0.9
77.03928	0.8
79.05502	1.0
80.75297	0.5
82.06583	1.0
82.07378	0.5
84.04495	5.7
86.06063	2.7
93.07045	0.6
95.04970	7.3
96.04492	13.1
97.02894	76.0
98.03214	0.8
105.03393	100.0
106.03733	1.3
107.04978	0.5
110.06049	1.7
114.05528	20.3
115.03896	1.1
118.06651	0.5
122.06035	0.6
123.04455	0.8
132.05193	0.6
135.48575	0.5
138.05505	57.0
139.05811	1.3
149.02388	4.3
156.06548	5.5
219.06564	1.4
236.09200	0.5
250.07944	1.9
278.10248	98.9
279.10629	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	277.2526
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
50.47285	1.0
52.81277	0.9
54.43641	0.8
55.05504	11.2
56.96558	1.8
57.03427	0.9
57.07071	7.1
59.04984	1.6
65.03934	1.0
67.05504	14.1
69.03424	4.3
69.07069	100.0
71.04990	2.9
71.08625	2.5
71.59325	1.8
79.05496	7.2
81.07059	46.5
83.04940	1.1
83.08618	11.8
89.03883	1.3
91.05464	2.7
93.07046	16.3
95.04951	1.7
95.08609	23.4
97.02906	1.5
97.06535	30.1
97.10155	4.5
98.97565	2.7
105.07061	5.1
107.08595	15.6
109.10160	38.0
109.10909	1.9
111.04475	1.5
111.08078	2.1
111.11729	20.5
116.98635	1.6
117.03371	2.1
118.15163	1.1
119.08560	4.3
121.10143	9.8
123.11703	17.3
125.13288	1.9
131.08565	1.3
133.10118	4.3
134.99673	1.7
135.04428	3.1
135.11707	10.0
137.09644	1.2
137.13246	4.2
139.11180	21.7
145.02838	1.4
147.11656	3.3
149.02281	1.0
149.13284	4.6
151.11200	2.3
153.12752	13.8
157.10010	1.3
159.04459	1.5
161.02333	4.1
161.13261	1.2
163.03928	14.1
163.14778	2.3
165.12691	2.4
171.11703	1.4
173.02383	10.6
175.07639	1.2
175.14774	1.5
177.00705	1.5
177.16367	1.7
185.06009	1.2
189.16399	1.4
190.91541	1.1
191.03474	5.1
191.17833	1.0
193.15900	1.8
199.11220	1.1
203.17947	2.0
207.17372	1.2
215.07045	13.9
216.07440	1.4
217.12224	0.9
217.19534	0.9
217.51138	1.0
231.06410	1.7
233.08153	4.0
235.16951	1.9
259.09677	14.0
259.12546	1.5
259.20685	1.2
259.24210	6.8
264.24255	1.1
277.08652	2.5
277.11340	1.7
277.18414	2.2
277.25253	57.5
278.09375	1.1
278.25751	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03929	2.4
54.33676	1.9
55.01852	1.7
55.05522	13.3
57.07070	3.2
67.05176	1.9
67.05502	25.6
69.07075	12.3
69.67653	7.2
69.68063	5.5
79.05491	59.3
81.07054	31.3
81.79727	1.6
82.89769	1.6
83.04955	2.7
83.08615	7.0
84.42017	1.8
85.06535	2.1
91.05474	23.4
93.07044	88.8
95.04942	5.9
95.08613	19.9
97.10152	3.8
97.42268	1.6
98.20794	2.5
105.07054	10.3
107.08588	44.0
109.06517	1.9
109.10146	18.1
117.06987	2.3
119.08547	7.6
119.51504	1.6
121.09328	2.7
121.10143	38.8
123.11739	4.0
123.73841	1.9
131.08539	2.5
133.10103	11.0
135.11681	61.2
147.11670	5.4
149.13258	27.9
159.11676	5.0
161.13200	4.3
163.11172	2.3
163.14818	5.2
171.11667	3.1
173.13271	3.0
175.14815	2.2
185.13237	3.8
195.13814	2.3
207.13684	2.4
221.15312	3.3
235.16977	2.6
241.19432	2.6
259.20630	4.9
264.15991	1.8
277.21619	100.0
278.22021	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.39917	1.3
51.02372	1.9
53.03939	2.6
55.05505	17.2
57.07055	2.1
66.49849	1.4
67.05502	32.2
68.65099	1.4
69.07069	15.9
69.97933	5.6
69.98351	3.3
71.04998	1.5
79.05489	74.1
81.07056	30.2
83.04958	2.1
83.08627	7.7
85.06551	1.9
91.05479	24.3
93.07042	100.0
94.07373	1.5
95.04977	7.5
95.08602	23.9
97.06516	3.0
97.10168	4.7
105.07021	16.2
107.08598	49.3
109.06476	2.7
109.10162	14.0
117.07037	3.6
119.08581	10.7
121.09310	3.0
121.10140	42.4
123.11681	2.1
129.06990	2.6
131.08556	4.1
133.10120	13.1
135.11691	51.4
145.10162	2.3
146.97473	1.4
147.11630	7.7
149.09581	2.3
149.13264	20.2
157.10161	2.4
157.44432	1.6
159.11690	2.6
161.13268	4.5
163.11179	2.1
163.14784	5.6
167.10687	1.5
171.11684	2.7
173.13208	2.8
185.13210	2.2
203.14304	1.9
207.13719	2.0
209.81485	1.7
221.15347	3.3
235.16946	5.5
241.19478	2.3
259.20676	3.6
277.21631	78.1
278.21860	2.4
287.95230	1.6
292.46457	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03936	3.1
53.80438	0.9
55.01857	1.0
55.05269	0.9
55.05512	12.6
57.03435	1.2
57.07071	7.7
58.07417	2.0
59.04980	1.1
60.43764	0.9
65.03921	1.6
67.05179	1.6
67.05509	23.3
69.03407	1.9
69.07072	12.1
70.06594	4.6
71.04993	1.1
71.06928	4.4
71.08622	2.4
71.33345	1.9
71.48071	1.1
72.07253	1.2
72.08942	1.4
79.05494	45.0
81.07059	26.5
83.04959	2.0
83.08623	5.2
85.02914	1.0
85.06537	1.7
88.07642	6.4
88.53956	0.8
89.07947	2.9
90.08025	2.4
91.04953	1.5
91.05484	17.1
93.07047	63.1
95.04990	5.4
95.08604	18.5
97.02872	1.0
97.06528	12.0
97.10163	4.2
104.09643	1.3
105.07049	9.6
106.08680	1.4
107.05021	1.3
107.08587	34.8
108.09099	3.2
108.92706	0.9
109.06497	0.9
109.09450	1.6
109.10148	8.4
111.08083	1.4
111.11707	1.0
111.53672	0.9
117.07001	2.7
118.56767	0.9
119.06078	1.0
119.08573	8.3
121.09320	1.6
121.10147	28.5
121.11020	1.7
123.08057	2.2
123.11696	3.2
129.06993	2.1
131.08540	2.5
133.10136	8.9
135.04449	1.5
135.10680	1.8
135.11693	31.0
137.13222	1.2
139.11174	1.0
142.48880	1.0
143.08527	1.4
145.10144	2.7
147.11670	4.2
149.02354	2.0
149.09596	1.4
149.13245	15.6
157.10165	2.2
159.11688	3.6
161.09642	1.4
161.13235	2.6
163.03908	4.8
163.11232	1.6
163.14801	3.9
171.11664	2.1
173.02391	2.3
173.13226	1.8
175.14851	2.1
185.13281	2.0
189.12823	1.1
191.03391	2.9
195.13780	1.5
199.14850	2.1
207.13806	1.4
213.16338	1.4
215.07053	5.8
221.15442	2.2
224.20111	1.0
231.17487	1.5
233.08000	2.2
235.16902	4.7
241.19530	1.7
257.26782	1.0
259.09656	10.5
259.20642	4.7
259.27219	4.2
277.06863	1.4
277.18173	5.2
277.21664	59.6
277.28287	100.0
278.21832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.18547	0.8
52.16480	0.7
53.03925	2.6
55.01866	4.7
55.05267	0.8
55.05509	12.9
56.96548	3.0
57.03418	1.9
57.07080	5.2
59.04986	1.8
67.05499	29.6
69.07067	11.8
69.30614	7.8
71.04980	2.8
71.08603	3.1
73.06586	0.8
79.05489	34.5
81.03407	1.7
81.06571	1.6
81.07051	28.9
83.04959	3.4
83.08616	8.2
85.06516	2.6
90.80370	0.7
91.05473	16.8
93.07038	55.1
95.04970	6.9
95.08598	20.5
97.06520	3.9
97.10161	3.6
99.08082	3.1
105.07019	12.6
107.04955	2.0
107.07864	1.7
107.08591	31.5
109.06493	3.1
109.10148	11.9
111.08060	2.7
117.07014	2.5
119.08563	9.8
121.06501	1.8
121.09310	1.5
121.10138	21.8
123.08045	3.3
123.11699	3.8
125.09613	0.9
129.06989	1.5
131.08566	5.0
133.10112	10.3
135.08057	2.1
135.11688	24.5
137.09619	1.9
137.13223	1.0
139.11160	1.2
143.08565	2.8
145.10130	4.0
147.03262	2.3
147.11696	9.7
149.02371	1.4
149.09625	1.6
149.13251	14.5
151.11176	4.3
157.10101	1.6
159.11699	3.7
161.09633	1.6
161.13268	7.5
163.11162	2.3
163.14828	4.2
165.12778	3.3
167.10730	1.4
171.11620	3.8
173.13269	2.4
175.11189	2.0
175.14798	3.6
177.12686	2.0
177.16470	1.0
179.10611	1.0
179.14366	1.4
181.12273	1.6
182.57901	0.8
185.13234	3.4
187.14703	1.1
189.12740	1.8
193.12231	1.7
195.13802	1.6
199.14818	1.9
205.09767	0.9
207.13835	2.1
213.16403	1.1
217.15941	1.7
217.19487	1.1
221.15343	2.3
223.37842	0.9
231.21078	1.7
235.16934	3.4
241.19434	3.6
245.11223	2.8
249.22032	1.9
259.20621	7.7
277.18475	3.3
277.21609	100.0
278.21957	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03936	3.4
55.01867	2.1
55.05261	1.2
55.05509	15.6
57.03429	3.6
57.07071	5.4
58.71680	0.8
64.54504	0.7
65.03938	1.7
67.05503	39.3
69.03419	1.0
69.07063	16.5
69.65195	5.2
71.04984	2.4
71.08629	26.2
73.06549	0.9
79.05491	54.3
80.73303	0.8
81.03411	6.4
81.07055	50.9
83.04989	6.0
83.08614	9.9
83.39108	0.7
85.06522	1.9
91.05479	30.0
93.07040	87.0
95.04972	9.8
95.08604	34.3
95.09049	0.4
97.06539	5.9
97.10159	4.1
99.08090	16.2
105.04545	0.8
105.07027	18.7
107.04944	4.6
107.08591	50.2
108.08930	0.9
108.27796	0.8
109.06517	3.6
109.10146	11.9
111.08058	2.4
111.62670	0.8
113.09628	1.5
116.05384	0.8
117.07002	3.3
119.08584	12.4
121.06483	1.4
121.10137	39.1
123.08064	2.9
123.11689	3.3
125.09595	1.4
127.11213	1.0
129.06978	2.2
131.08565	6.2
133.10124	11.9
135.08066	1.3
135.11685	52.2
136.11926	0.8
137.09618	4.8
137.10535	0.8
137.13246	1.4
139.11147	1.3
141.09071	3.1
143.08559	2.6
145.10121	5.4
147.11681	8.7
149.09644	1.7
149.12132	0.6
149.13255	15.2
151.11177	8.8
153.09160	0.9
157.10127	1.2
159.11690	3.1
161.09630	0.9
161.13257	7.3
163.11186	6.2
163.14822	5.2
165.12718	1.3
167.10672	2.4
171.11688	2.9
173.13295	2.2
175.14828	2.3
177.12741	3.4
179.10811	1.7
179.14301	34.2
181.12187	1.2
185.13263	2.5
186.49191	0.7
187.14853	1.5
189.12747	1.8
195.13750	1.8
199.14809	2.1
203.14334	1.5
205.15919	0.7
207.13721	1.5
213.16394	1.0
217.15906	0.8
221.15363	4.6
231.17427	1.0
235.16953	7.6
241.19449	2.9
259.20544	7.1
277.18344	5.0
277.21606	100.0
278.21915	2.2
280.79691	0.8
297.71832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.63238	1.3
53.03707	1.6
53.03946	26.0
55.01872	9.6
55.05265	2.2
55.05510	34.5
57.03425	2.5
57.07071	10.5
63.31386	1.2
65.03934	2.3
67.05505	83.2
69.03426	3.4
69.07068	51.6
71.02911	3.8
71.04981	2.7
71.08636	10.0
77.03914	1.7
79.05492	58.7
81.03417	89.2
81.07057	78.4
83.04985	19.0
83.08618	13.5
85.06523	3.8
85.10184	2.9
88.15703	1.3
91.05480	43.9
93.07043	70.7
95.04970	57.2
95.08050	2.4
95.08607	32.1
97.06517	6.0
97.10160	6.7
99.08130	6.9
99.10927	1.5
105.07031	34.2
107.04958	3.5
107.08594	37.4
108.59056	1.3
109.06535	12.8
109.10149	23.0
111.08089	7.0
113.09572	1.8
117.07022	5.5
119.08583	21.2
121.06500	6.1
121.10133	14.3
123.08035	5.1
123.11719	7.5
125.09659	10.0
126.24913	1.3
129.07021	3.2
131.02594	1.4
131.08543	5.6
133.06483	1.5
133.10129	28.3
135.08037	6.4
135.11697	15.7
137.09596	2.5
137.13239	3.2
143.08572	3.9
145.10130	5.4
147.08099	3.2
147.10616	2.4
147.11688	21.3
149.09581	2.4
149.13211	7.2
151.11185	53.7
153.09108	4.8
157.10097	4.7
159.11777	2.5
161.09627	3.6
161.13248	17.5
161.43939	1.4
163.11227	1.9
163.14793	5.9
165.12750	15.4
171.11684	5.5
173.11740	1.6
173.13277	1.6
175.11162	2.7
175.14883	8.4
177.12738	3.6
177.16322	1.4
179.10681	2.3
179.14314	9.4
185.13315	2.9
189.12727	5.0
189.16347	1.8
193.12242	1.9
203.69806	1.6
207.13821	4.7
213.90076	1.3
217.19466	3.8
221.15387	3.0
231.21138	11.7
235.16988	3.5
241.19516	5.6
249.22041	6.4
259.20642	8.6
277.21616	100.0
278.21906	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03937	3.6
55.01876	10.3
55.05513	19.5
57.03432	2.8
57.07078	7.0
65.03934	1.2
67.05506	36.5
69.03414	3.8
69.06719	1.7
69.07069	16.4
71.04990	3.1
71.08638	15.3
71.59982	2.5
79.05496	40.2
81.03400	4.8
81.07058	38.6
83.04989	7.2
83.08628	10.8
84.58795	1.2
85.06527	2.0
85.10184	1.7
89.05832	1.4
91.05478	26.8
93.07048	56.8
93.49532	1.3
95.04971	10.7
95.08612	24.5
97.02890	1.5
97.06528	16.9
97.10156	2.4
99.08104	12.9
103.05492	1.4
105.06509	1.3
105.07049	16.8
107.04955	3.3
107.08603	26.2
109.06508	4.1
109.10157	12.0
111.04478	1.9
111.08068	8.6
113.09631	2.3
117.07018	4.8
119.08598	15.0
120.71547	1.5
121.06475	2.5
121.10150	20.0
123.08073	4.6
123.11703	3.0
125.09629	3.4
129.07013	4.5
131.08553	5.6
133.10139	11.0
135.04424	2.1
135.08095	1.7
135.11720	18.5
137.09589	2.4
137.13245	1.5
139.11086	2.2
141.12752	2.5
143.08557	3.9
145.02895	2.3
145.10098	6.1
147.08041	1.8
147.11684	11.0
149.02341	17.3
149.09636	2.5
149.13252	12.3
151.11182	9.8
153.12759	2.4
157.10150	3.3
159.11736	3.7
161.02298	1.5
161.09608	2.7
161.13260	10.6
163.03894	8.4
163.11189	11.9
163.14832	5.3
165.12759	4.3
169.12195	1.5
171.11700	3.5
173.02353	2.9
173.13239	2.1
175.07678	1.8
175.11247	3.0
175.14818	3.6
177.05605	1.4
177.12744	1.5
179.14316	5.1
181.12196	2.0
185.13269	5.0
189.12715	2.5
191.03394	2.9
193.12288	1.9
199.14915	2.5
203.06963	2.7
203.14336	1.4
207.13853	2.8
213.16386	1.4
215.07117	4.3
216.45885	1.4
217.19388	2.1
221.15373	2.6
231.06508	1.7
231.21161	2.3
235.16975	5.2
241.19591	7.1
249.22205	2.6
259.09686	11.7
259.20593	13.1
260.72998	1.3
268.36215	1.3
277.08801	2.2
277.21649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03938	4.6
53.45502	1.3
54.08772	1.3
55.01875	2.2
55.05512	20.3
57.03429	1.7
57.07068	5.5
67.05508	47.3
69.07069	19.5
70.75907	2.7
70.76264	2.6
71.04987	1.6
71.08638	18.6
73.67483	1.3
79.05493	54.7
81.03408	4.8
81.07058	50.9
81.15204	1.3
83.04973	5.7
83.08633	8.4
85.06543	1.7
91.04972	2.3
91.05489	29.1
93.07046	89.9
94.07375	1.8
95.04985	9.5
95.08607	38.1
97.06541	6.6
97.10169	3.2
99.08087	13.6
105.07034	21.2
107.04971	3.6
107.08598	50.9
107.78062	1.5
109.06507	4.4
109.10167	20.8
117.07034	4.3
119.08582	14.5
121.00434	1.3
121.06481	1.7
121.09322	2.7
121.10149	40.8
123.08099	2.7
123.11682	4.6
128.03984	1.3
129.06998	2.2
131.08560	4.9
133.10143	13.6
135.08006	2.1
135.11697	50.9
137.09608	2.3
141.09134	2.3
143.08542	3.0
145.10126	5.1
147.11659	8.3
149.02332	7.8
149.13275	19.0
151.11218	11.2
157.10117	2.2
159.11682	4.7
161.13240	8.9
163.11195	4.9
163.14824	6.6
165.73705	1.2
167.10672	3.1
171.11676	4.1
173.13278	2.8
175.14795	3.2
177.12784	1.9
179.14323	32.0
185.13307	2.9
189.12776	3.1
195.13858	2.7
213.16302	1.9
217.19542	1.3
221.15376	3.8
235.17046	6.1
241.19489	3.7
259.20584	6.8
277.18384	4.4
277.21640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.24032	0.6
53.03945	2.5
55.01859	2.1
55.05508	9.4
57.03441	1.1
57.07074	1.2
58.74174	0.6
63.76619	0.6
65.03938	1.0
67.05502	37.7
69.03433	1.2
69.07068	10.1
69.83384	1.3
69.83775	1.6
71.04990	2.6
77.03855	0.8
77.18475	0.6
79.05492	36.0
81.03426	1.7
81.07057	33.9
83.04988	1.6
83.08614	4.8
85.06542	2.5
91.05479	14.0
91.06013	1.1
92.05795	0.6
93.07044	52.7
94.07330	0.7
95.04966	5.0
95.08604	29.2
97.06544	5.3
97.10168	2.7
98.20775	0.8
99.08080	1.4
105.04520	0.7
105.07012	9.2
105.07671	0.8
107.04942	0.9
107.08595	27.4
109.06528	1.9
109.10145	9.2
111.08070	1.2
117.07030	3.0
119.08584	9.5
121.10142	57.7
123.08084	1.1
123.11713	2.1
125.09664	1.0
129.01872	1.4
129.07053	1.0
131.08598	6.0
133.02806	0.7
133.04982	1.4
133.10129	8.3
135.08023	2.1
135.11693	44.3
137.09645	2.1
137.13257	0.8
143.08554	1.9
145.10133	3.9
147.11687	5.5
149.09607	1.9
149.13252	13.9
151.11122	1.6
157.04982	6.8
157.10098	1.9
159.11711	4.3
161.13275	3.7
163.03906	2.3
163.11169	2.5
163.14822	1.9
171.11691	2.3
173.02267	0.6
173.13258	2.4
175.14835	2.3
177.00923	0.6
177.12775	3.4
179.14391	1.0
181.12250	2.6
185.13269	2.6
189.16304	0.7
191.03448	0.7
193.15915	0.8
195.13797	4.6
199.14857	1.5
201.16483	0.9
207.13789	1.5
209.15332	0.7
215.07031	1.7
221.15395	2.4
231.17413	0.7
231.21040	0.8
234.06702	0.8
235.17075	3.1
241.19472	3.0
259.09631	3.2
259.20569	10.6
277.21625	100.0
278.21933	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03943	1.0
54.54362	0.4
55.05510	5.2
65.03947	1.2
65.85918	0.4
67.05501	37.7
69.03423	0.6
69.07062	4.6
69.57475	2.3
69.57875	1.1
71.04969	1.0
79.05487	39.5
79.53125	0.4
81.07052	26.8
81.50751	0.4
83.04995	0.7
83.08612	3.6
85.06534	1.3
85.72417	0.4
91.05473	8.3
93.07036	50.4
95.04961	2.7
95.08598	14.1
97.06540	1.8
97.10172	1.1
99.08105	0.8
105.07026	3.5
107.08588	20.8
109.06514	0.5
109.10149	3.2
111.08040	0.9
117.07003	1.3
119.08566	3.1
121.10135	78.6
122.10466	1.0
123.08051	1.0
123.11678	1.1
125.09608	0.5
129.06998	0.6
131.08574	2.2
133.10123	3.4
135.11681	46.6
136.12047	0.7
137.09557	1.0
145.10110	3.2
147.07919	0.4
147.11665	1.6
149.09563	1.1
149.13248	6.3
151.63248	0.4
153.09114	0.5
157.10106	0.5
159.11702	2.5
161.13264	1.3
163.11200	1.7
163.14751	0.5
171.11623	0.5
173.13277	1.0
175.07497	0.4
175.14824	1.4
177.12787	2.4
181.12234	1.8
185.13153	0.6
185.47200	0.4
191.14314	0.6
195.13832	3.1
199.14862	0.8
221.15366	0.8
235.16985	0.6
241.19432	1.2
254.00710	0.4
259.09668	0.4
259.20538	3.7
260.37033	0.4
277.21606	100.0
277.91122	0.4
278.21957	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1796
Annotation	Spirodysin
Peak:m/z	Relative Intensity
53.03940	3.3
55.01851	3.5
55.05511	16.5
56.96560	3.4
57.07074	2.0
67.05502	17.9
69.07056	5.5
70.93527	4.1
71.08622	1.7
79.05495	27.3
81.03384	1.5
81.07057	34.0
83.04984	34.4
83.08609	2.9
91.05486	23.1
93.06464	3.3
93.07043	58.9
95.04973	5.9
95.08602	16.9
97.06532	6.6
105.07027	24.8
107.04956	15.1
107.08591	31.4
109.06514	9.1
109.10156	4.0
111.08082	4.3
117.07026	18.8
119.08588	12.6
121.06503	8.0
121.10133	10.9
126.33202	1.7
131.08565	22.6
133.10136	33.5
134.10530	1.7
135.08038	7.3
135.11688	29.6
143.08478	1.6
144.09325	2.1
147.08028	1.8
147.11581	1.7
149.09593	5.3
149.13252	18.4
153.09102	1.7
157.10065	1.9
159.11694	50.6
159.13020	2.9
161.13251	2.7
171.11658	1.6
175.02800	6.6
177.12749	100.0
178.13083	2.2
185.13284	1.8
193.03851	2.0
259.20459	1.8
277.18253	3.3
277.21576	26.9
277.24368	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03943	12.6
55.01871	6.1
55.05270	1.6
55.05510	25.4
57.03395	1.2
57.07069	8.7
59.70816	1.0
62.13948	1.1
65.03924	1.8
67.05504	58.5
67.43391	1.1
69.03419	1.4
69.06728	2.2
69.07066	32.0
70.18363	3.6
71.04964	3.2
71.08625	8.1
71.78216	1.1
77.88647	1.0
79.05490	44.4
81.03416	55.0
81.07054	53.4
83.04983	15.0
83.08616	9.0
85.06532	3.2
85.10176	1.9
91.04911	1.0
91.05478	25.3
93.07039	51.0
95.04961	37.3
95.08051	2.0
95.08607	25.4
97.06510	4.3
97.10175	6.2
98.20834	1.3
99.08092	6.8
105.07034	27.2
107.04940	1.9
107.08591	31.2
109.06518	10.8
109.10154	20.6
111.08084	4.4
111.75546	1.3
112.37042	1.2
113.09628	2.7
117.07002	4.3
119.08579	17.2
121.06502	3.7
121.10130	15.1
123.08054	2.3
123.11727	6.2
123.54928	1.1
125.09621	5.9
129.07007	3.8
131.08557	5.0
133.10118	21.3
135.08020	6.2
135.11667	7.8
137.09615	1.4
143.08528	3.6
145.10071	3.6
147.08058	2.5
147.11694	17.2
149.09625	2.4
149.13266	9.7
150.82312	1.0
151.11179	39.8
153.09154	2.8
157.10120	2.3
159.11667	2.6
161.09569	3.2
161.13232	11.0
163.11145	1.7
163.14796	3.9
165.12753	14.0
171.10306	1.6
171.11627	6.9
173.13264	1.9
175.11151	3.3
175.14771	4.2
177.12781	2.0
177.16447	1.2
179.10643	3.6
179.14333	5.7
181.12254	1.4
185.13268	3.1
189.12773	2.4
193.12236	1.2
203.14217	1.5
207.13803	5.1
213.25221	1.2
217.19455	2.9
221.15402	2.6
231.21030	8.4
235.16908	4.4
235.64404	1.4
241.19397	5.6
249.22099	3.5
259.20541	10.1
277.18323	4.6
277.21613	100.0
278.22037	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01862	2.2
55.05509	24.1
57.07077	5.1
67.05171	1.9
67.05503	27.2
69.07064	13.4
69.58595	8.3
71.04988	2.1
73.06538	1.1
77.59791	1.0
77.88254	1.0
79.05490	56.4
81.03417	2.5
81.07054	40.9
83.04977	22.9
83.08620	7.6
85.06541	1.5
91.05477	28.7
93.07040	100.0
94.64813	1.2
95.04968	8.2
95.08601	26.0
97.06535	5.1
97.10153	3.8
98.06213	0.9
98.21480	1.4
105.06377	1.8
105.07027	23.6
107.04970	8.2
107.08590	51.2
109.06518	8.7
109.10136	8.1
111.08087	2.4
117.07011	15.2
119.08575	14.3
121.06531	6.0
121.10136	37.5
123.11690	1.4
129.06998	1.6
131.08563	17.3
133.10129	31.4
135.08035	4.3
135.11685	47.7
143.08548	2.3
145.10118	3.2
147.11667	7.5
149.09633	5.5
149.13258	23.3
153.09123	1.5
157.10118	1.9
159.11688	45.6
161.09644	1.1
161.13252	3.0
163.11157	2.0
163.14819	4.4
167.10660	1.1
171.11615	1.2
173.13223	2.6
175.11185	2.3
175.14902	1.6
177.12747	71.1
178.13138	1.7
185.13174	1.7
189.12755	1.0
195.13779	2.8
199.14844	1.1
207.13892	1.3
221.15405	1.4
235.16928	4.2
241.19547	1.6
259.20615	5.2
277.18192	3.8
277.21613	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11013	0.4
53.30825	0.4
55.01878	0.5
56.05038	0.6
56.96555	1.4
57.03438	1.3
57.07057	0.5
58.06588	1.0
58.99852	0.6
59.07378	1.0
60.04528	0.5
60.08162	0.8
61.02918	0.8
61.08497	0.4
66.76517	0.4
69.03427	3.1
69.38485	3.6
70.06588	2.1
71.04996	0.5
72.08143	2.0
73.02911	0.8
73.08488	0.6
74.06077	0.7
77.00907	1.3
80.05024	1.8
81.03418	1.5
82.08682	0.4
82.99805	2.1
83.05040	0.3
84.04491	2.1
84.08137	4.2
85.02888	2.6
86.09711	0.5
86.99321	0.6
87.04478	0.6
95.01939	0.5
95.06045	0.5
95.08634	0.5
97.02885	6.8
98.06089	0.5
98.97585	1.0
99.04447	0.7
100.07587	0.4
101.00864	12.2
102.05536	2.4
102.08023	0.4
103.02464	0.6
103.05878	1.3
105.00367	1.7
109.02892	2.2
110.07127	0.6
111.04346	0.4
113.00885	1.5
113.07111	1.0
114.05522	0.5
115.02424	1.3
115.03908	0.5
116.07072	0.7
116.98648	0.5
117.07903	0.7
119.01917	66.2
120.02000	1.2
121.01650	3.3
121.03524	0.5
124.02457	0.4
127.02448	1.1
127.03896	1.0
128.07118	0.4
129.04002	0.4
129.10219	0.5
130.04976	0.9
130.08636	0.9
130.10640	0.5
131.01909	13.6
132.46843	0.4
133.03447	2.8
136.07542	0.6
137.02948	19.3
138.02998	0.4
139.02629	1.7
142.03470	1.7
143.01891	19.1
145.03458	13.5
145.06055	0.8
145.08044	0.5
147.01358	1.5
147.03134	0.9
147.05008	0.6
149.02972	3.1
151.04451	0.8
152.06975	0.6
154.03470	0.9
154.08606	1.1
155.01866	6.5
155.03090	0.5
157.03468	12.3
158.97464	0.4
159.01355	0.7
160.02312	0.9
160.04549	0.9
161.02953	100.0
162.03033	2.4
162.62904	0.4
163.04593	3.8
163.07259	0.4
165.04219	0.6
167.01868	1.8
168.04933	0.5
169.03426	2.2
171.05000	1.0
173.02953	16.4
175.02951	0.9
175.04517	12.3
176.04594	0.5
176.08084	0.5
177.08727	0.4
179.02383	0.6
179.04015	5.3
179.05643	0.6
184.04533	4.9
185.02948	15.0
185.04593	0.9
186.11644	0.4
187.02908	0.4
187.04504	7.2
187.10861	0.4
189.04283	0.8
189.06071	1.5
191.02321	0.8
191.03979	4.8
196.04544	0.8
197.02945	8.2
198.06009	0.5
199.04518	1.3
201.06123	0.6
203.03979	7.4
205.03903	0.6
205.05551	2.6
207.05255	0.5
208.04688	0.7
213.12241	0.5
214.05608	0.5
215.03969	3.3
217.01912	0.6
217.03839	0.5
217.05525	2.4
220.04443	0.5
221.05061	2.2
226.05519	0.5
227.03914	1.8
229.05521	0.5
231.00885	0.9
233.05127	0.6
233.12944	0.8
235.03021	0.4
235.06607	0.6
235.16899	1.0
245.05072	38.8
246.05310	0.6
247.06609	0.5
259.09335	0.4
259.12833	0.7
260.10162	0.6
263.06119	5.2
277.03162	18.3
277.07599	83.5
277.17737	1.7
278.03342	0.6
278.07986	2.5
286.07718	1.2
295.03119	0.5
295.08658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0706
Annotation	Annulatophenone
Peak:m/z	Relative Intensity
55.01841	6.6
55.05492	3.4
56.96553	2.1
57.07066	1.7
65.03946	8.7
67.05512	10.1
69.03398	3.4
69.07029	4.8
71.04961	1.9
71.59281	1.8
79.05452	5.1
81.03373	3.9
81.07006	6.7
83.04952	2.6
83.08599	2.5
85.02872	2.9
85.86584	1.5
91.05433	4.8
93.03416	11.0
93.07003	4.9
95.04964	7.7
95.08554	5.7
97.02892	11.9
97.06548	8.3
100.11160	1.5
103.05480	2.5
105.06956	5.4
107.08556	3.4
109.02823	4.2
109.10115	2.6
111.04381	6.6
115.05387	5.8
117.06946	2.9
119.08507	4.4
121.02821	4.4
121.10072	5.0
123.04409	7.0
123.11617	2.4
127.03833	2.1
128.06134	5.1
129.07002	36.8
131.04886	2.3
131.08516	3.0
133.06459	2.8
133.10100	2.7
135.04344	2.9
135.07930	1.5
135.11652	1.6
137.02332	16.9
137.09496	1.9
139.03902	8.0
139.05338	6.0
141.06982	12.8
143.04808	2.2
143.08569	1.6
145.02759	2.3
145.06403	4.7
145.10065	3.5
147.03419	1.3
147.04404	11.0
147.07973	4.0
147.11623	1.4
149.02267	5.2
155.04866	2.4
157.06503	33.8
157.10004	2.2
159.07977	2.1
159.11696	2.1
160.05177	2.0
161.02322	2.5
161.05984	10.1
161.13152	1.4
163.03909	16.6
167.03281	5.7
167.04819	4.9
169.06381	6.2
171.11650	1.7
173.02307	4.3
173.05980	14.9
174.06622	6.3
175.03922	16.2
175.07550	38.3
175.14862	1.8
185.05971	43.9
187.07405	4.4
188.04616	1.8
189.05389	5.6
189.06905	2.0
191.03308	2.9
191.06851	2.4
201.05435	8.1
203.05356	2.0
203.07031	31.3
206.07246	3.1
213.05486	25.5
215.06964	6.9
217.06445	2.6
219.06357	1.9
231.06516	100.0
232.06627	2.0
233.07925	2.4
234.06718	8.9
235.16768	3.4
249.07416	12.3
259.05902	15.5
259.09515	4.5
259.16885	2.3
262.06049	5.4
277.06894	97.6
277.17801	5.3
277.21414	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87449	17.7
55.80512	16.1
71.31489	29.8
81.50046	19.1
111.56586	14.7
116.67355	15.9
277.03143	100.0
277.08987	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	selenoneine
Peak:m/z	Relative Intensity
51.81823	20.7
70.19199	51.9
70.19594	62.6
71.06918	27.7
98.21362	33.7
98.97546	30.0
119.01906	27.4
128.55479	21.9
198.30141	23.8
210.02104	22.3
277.03278	100.0
277.07129	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0707
Annotation	Annulatophenone
Peak:m/z	Relative Intensity
50.27697	1.1
52.03848	0.9
53.03947	2.2
55.01879	5.6
55.05515	7.3
57.03411	1.3
57.07050	2.9
59.05007	1.8
63.55376	0.9
65.03941	9.6
65.55869	1.1
67.05504	32.6
69.03413	3.0
69.07067	8.9
70.10622	3.7
70.11024	2.2
71.04994	2.3
71.08610	1.4
77.03922	1.3
79.05066	2.0
79.05494	28.6
81.03401	2.8
81.07058	31.9
83.04967	3.3
83.08602	4.6
85.02876	1.1
85.06536	2.1
91.04967	1.3
91.05486	12.6
91.78269	1.1
93.03412	13.2
93.07044	45.2
95.01363	1.2
95.04967	11.7
95.08054	1.9
95.08610	22.7
97.02900	12.3
97.06514	4.8
97.10152	1.1
103.05460	1.6
105.07047	8.9
105.19553	0.9
107.04926	1.2
107.08598	21.7
107.92191	1.0
109.02859	3.4
109.06490	2.4
109.10158	8.3
110.03655	2.8
111.04440	5.6
111.08094	1.8
115.03926	1.4
115.05435	4.2
117.03356	1.7
117.07033	4.7
119.08578	9.8
121.02847	4.5
121.10144	41.0
123.04418	7.5
123.08043	2.9
123.11687	2.5
128.06226	7.8
129.07007	39.1
131.04939	1.6
131.08551	4.4
133.04927	1.2
133.06482	1.6
133.10132	7.4
135.04410	3.4
135.08009	1.5
135.11691	33.1
137.01341	1.5
137.02339	17.5
137.09622	2.1
137.13255	1.6
139.03897	7.0
139.05421	7.8
139.10991	0.9
141.06998	12.7
141.19461	1.1
143.04893	2.3
145.02841	1.2
145.06471	4.5
145.10133	5.0
147.04385	9.5
147.08022	4.8
147.11674	5.6
149.02339	3.0
149.05978	2.0
149.09541	1.2
149.13246	9.8
151.11195	1.7
155.04868	1.3
155.06033	1.3
157.05026	2.9
157.06487	35.2
157.10135	1.8
159.11658	4.5
160.05183	1.7
161.05992	4.3
161.13257	3.1
163.03893	14.7
163.11212	2.2
163.14812	2.6
167.03395	4.6
167.04922	6.1
169.06512	7.1
171.11763	1.5
173.05991	14.3
173.13261	2.5
174.06783	7.6
175.03961	10.9
175.07553	43.3
175.11201	1.8
175.14757	1.6
177.12764	2.7
179.10590	1.5
181.12251	1.6
183.04347	1.0
185.05980	42.4
185.13184	1.7
187.04068	1.2
187.07462	5.8
189.05492	4.9
195.04362	1.8
195.13832	3.7
197.05959	1.4
199.14796	1.8
200.04744	1.4
201.05484	5.7
203.07027	32.8
213.05473	26.7
215.07066	2.4
221.15175	1.2
231.06528	96.6
232.06805	2.3
233.08189	1.2
235.16888	3.6
241.04953	3.2
241.19495	3.1
259.06009	16.3
259.09573	3.2
259.16864	1.2
259.20584	8.8
262.05933	1.0
277.07059	100.0
277.14658	1.6
277.18036	7.1
277.21619	71.1
278.07361	2.8
289.07947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	8.0
71.45233	1.6
71.95237	1.5
73.89964	0.9
96.85156	0.9
98.97580	51.6
101.00861	3.4
107.13317	0.9
109.02856	1.1
116.98618	60.2
119.01913	28.2
120.01980	6.2
121.01660	8.1
122.02022	1.0
127.54413	0.9
134.99655	46.9
137.02963	16.3
138.02994	1.5
139.02676	4.1
140.00208	2.0
142.03491	10.6
143.03613	2.5
144.03214	4.0
145.03569	1.5
147.03226	1.7
147.04967	1.1
153.00699	12.5
157.03479	2.8
158.01233	2.4
160.04561	6.1
161.02945	8.5
161.04771	1.5
162.04373	1.9
162.08566	1.2
163.03891	2.0
171.03232	1.4
175.04506	4.1
177.00920	9.5
178.00983	2.9
179.00702	6.2
184.70087	1.0
185.02907	2.0
187.04501	1.2
189.04225	1.7
192.94792	0.9
203.04022	2.0
212.92218	1.8
214.95558	1.3
215.47322	1.1
219.01993	14.6
220.02072	3.1
221.01767	4.5
230.93317	4.9
230.98418	1.4
231.05525	1.7
232.48628	1.1
234.99757	2.2
235.16875	2.6
236.99802	1.5
240.98738	2.8
241.99017	2.9
242.49419	3.3
248.94371	3.3
250.49438	1.1
250.99258	43.2
251.49289	18.5
251.99150	8.2
253.94844	1.5
254.93283	1.2
256.96729	10.9
257.96646	6.5
258.96411	15.9
258.99725	46.5
259.96368	2.6
259.99814	1.6
261.00073	1.8
261.03030	15.0
262.00220	1.6
262.03104	7.4
262.46649	2.9
262.49985	18.0
262.99997	7.4
263.02875	14.5
263.49808	3.3
264.02902	2.5
272.94382	10.7
274.00717	1.4
274.50818	2.3
274.97656	6.8
275.97678	3.6
276.97461	11.5
277.00769	100.0
277.07663	8.2
277.17896	2.3
278.01123	2.5
279.00977	2.8
280.00955	1.0
280.93515	1.2
280.98257	1.4
281.98077	2.0
282.01126	2.1
282.99927	1.6
283.99979	1.3
284.99820	3.3
288.92508	1.1
290.95447	7.1
294.98499	2.6
295.01718	1.6
295.08875	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	276.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50024	2.7
53.03934	4.0
55.01859	2.9
55.05503	4.3
56.05032	11.7
56.96564	34.9
57.03446	4.3
57.07079	4.2
57.37209	3.1
58.06594	23.7
59.07380	18.3
60.04525	27.4
60.08162	24.9
67.05488	3.5
69.03426	10.7
69.07056	11.4
70.06591	26.8
71.05001	5.7
71.58943	4.2
72.08150	28.4
73.02928	3.2
74.00655	6.7
74.06073	12.5
75.05614	15.8
80.60814	2.3
81.03423	7.4
81.07060	7.2
82.02950	3.6
83.04980	4.2
83.06110	5.3
84.04501	23.9
84.07686	4.8
84.08147	56.6
85.02911	11.4
86.06072	5.7
86.09705	100.0
86.10232	6.2
87.03189	3.9
87.05595	4.7
88.03995	9.4
89.03896	6.2
93.07030	6.6
95.04977	3.7
95.08587	5.1
97.02884	12.1
98.97572	20.3
100.07607	5.9
102.05547	75.9
103.05458	3.1
105.07061	4.1
106.04987	3.9
107.08621	3.3
109.02871	3.6
111.09197	3.6
112.08730	3.6
113.07158	5.9
114.05531	4.2
115.08633	3.6
116.07107	8.9
116.98606	17.8
117.01219	9.8
117.07877	35.4
118.08693	15.5
119.01880	6.7
120.02056	3.8
120.08077	8.3
125.07065	3.2
127.03894	10.7
128.07080	6.8
128.10695	2.7
128.98613	3.0
129.10236	22.3
130.05005	9.1
130.08617	7.6
131.00186	3.9
131.07224	4.3
131.08130	28.4
131.75281	2.9
132.10164	5.4
134.08115	5.9
134.99707	14.9
135.04427	6.0
138.03134	3.5
140.04063	3.7
141.01149	4.7
143.00136	3.9
143.11807	77.8
146.01271	3.5
146.99651	5.2
147.07692	3.9
149.01192	7.0
150.96866	3.8
153.02925	3.9
153.08914	3.0
155.02724	3.7
156.03487	5.7
157.09764	8.2
158.09290	4.1
158.99680	4.3
159.07668	20.2
159.11362	7.1
161.01250	8.1
161.02930	4.7
163.02692	5.2
163.03905	36.4
164.04231	5.0
165.00711	3.7
168.95815	2.6
171.11295	27.3
172.95271	8.0
173.09084	3.2
174.99242	4.0
175.11978	7.0
177.00652	8.1
184.08978	3.2
186.96823	2.7
187.02832	5.4
189.00827	3.7
189.12297	5.0
190.96292	6.5
193.00233	5.1
194.06822	3.1
205.11871	3.7
212.10301	8.2
213.12553	3.4
217.02859	5.3
230.13809	5.9
237.02798	3.3
258.14444	11.4
259.09885	22.3
267.04083	3.6
276.07675	4.0
276.10379	24.6
276.14322	8.0
276.16574	18.3
276.23688	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	276.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	2.5
55.01855	1.1
55.05508	1.9
56.05020	4.2
56.96565	9.1
57.03429	2.3
58.06603	29.3
59.07385	29.4
60.04523	12.1
60.08167	41.1
69.00923	1.6
69.03436	2.3
69.07057	2.5
70.06594	7.7
70.83787	2.2
72.08158	39.6
72.48795	1.1
73.02890	1.1
74.00678	8.6
74.06058	4.5
80.05013	1.1
81.04567	1.4
82.02924	3.6
82.06582	1.3
82.95002	0.9
83.06088	2.9
84.04485	4.0
84.08141	14.3
85.02872	3.6
85.08428	1.3
85.45560	1.0
86.09706	32.5
87.04450	2.3
87.05573	3.2
88.03960	2.1
88.10498	1.1
91.03310	2.5
95.06077	1.8
96.04499	1.3
97.02856	2.1
98.02398	2.6
98.06071	1.9
98.09703	1.2
98.97600	6.6
99.00785	1.8
100.07631	3.0
101.07150	1.5
102.05545	100.0
107.06086	2.8
107.62476	1.1
109.02869	2.0
109.03989	1.2
109.49869	1.1
110.04757	2.0
112.05097	9.3
113.07107	4.2
114.05531	2.3
114.07474	2.8
114.09179	6.1
116.98626	6.5
117.01202	14.4
117.07877	59.1
117.98963	1.0
119.01891	4.6
120.02016	3.4
120.06588	2.2
121.01617	1.8
123.05559	4.1
125.03461	3.0
125.07046	1.7
126.02503	1.4
126.07419	1.3
127.03977	1.3
128.04578	1.3
128.07054	4.0
129.10251	13.3
130.08604	5.3
131.00180	1.3
131.08177	2.5
132.10153	1.4
134.99632	3.7
135.01860	1.9
137.02917	1.4
138.03033	1.4
140.04070	5.8
141.01154	8.3
141.04773	2.8
143.11772	2.0
144.06572	1.6
144.07674	4.8
145.03490	1.6
145.06099	1.8
146.03564	1.5
146.99715	1.2
149.01176	1.7
149.03474	1.4
149.06877	1.6
153.02916	4.2
153.08928	1.3
154.04933	1.8
155.02733	5.2
156.03517	8.6
157.09738	7.8
158.08122	4.5
159.07617	2.1
159.11304	30.1
161.02957	2.2
164.02258	1.3
170.07341	1.1
171.11304	2.5
172.02994	4.4
173.03864	3.1
173.12885	5.4
177.00670	1.8
177.08618	1.8
182.01471	3.3
182.03354	1.2
184.09039	8.3
184.10556	1.9
185.05481	1.4
185.09845	5.0
187.10791	12.5
188.04684	2.7
200.02510	2.3
200.08536	2.5
201.12318	3.8
203.10161	1.5
212.10298	11.1
213.10966	2.5
215.11082	1.5
216.09070	1.4
217.02815	5.3
224.07997	2.1
230.10187	2.5
232.11011	1.8
234.06458	1.3
234.10051	4.9
243.10390	3.5
244.07526	7.5
258.08990	2.5
258.14658	6.2
259.09875	45.7
259.12662	2.3
275.97766	2.3
276.07434	2.3
276.10123	49.0
276.15939	7.8
277.00684	1.9
277.03409	1.5
277.07465	1.4
284.56506	1.3
293.98965	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.05509	14.8
57.03449	1.1
57.07077	5.8
65.03960	1.2
67.05504	28.3
69.07067	32.6
69.83237	1.0
70.02599	3.9
70.03011	1.4
71.08637	4.8
79.05494	15.0
81.07058	100.0
82.07397	1.5
83.04996	1.2
83.08621	14.0
85.10169	1.3
85.35439	0.8
91.05476	7.5
93.07047	22.0
95.04920	1.2
95.08606	83.7
96.08929	1.2
97.06514	1.4
97.10169	8.3
98.88152	0.9
99.08099	0.9
105.07020	11.1
107.04961	0.9
107.08593	33.9
109.06490	1.1
109.10157	53.2
111.04439	3.1
111.11707	6.9
113.09698	0.9
114.39053	0.9
117.07004	2.0
117.72148	0.9
119.08578	14.3
121.10139	24.3
123.08109	1.6
123.11707	28.3
123.12585	1.9
125.05991	1.0
125.13278	1.7
126.27393	0.8
131.08562	4.1
133.10144	10.2
135.08064	1.1
135.11693	14.5
137.13268	11.1
143.08557	2.8
145.10109	8.3
147.11658	6.0
149.09613	1.4
149.13272	10.8
151.14815	5.0
157.10135	2.1
159.11699	9.0
161.09676	1.4
161.13252	5.1
163.14815	6.7
165.16443	2.0
171.11716	1.2
173.13239	6.0
175.11195	1.4
175.14838	5.2
177.16377	4.1
179.17989	1.5
185.13234	1.1
187.11279	1.7
187.14883	3.1
189.16403	1.3
191.10519	1.1
191.17867	1.4
193.12308	1.4
201.16403	1.8
205.10600	0.9
205.12309	3.8
205.19499	1.3
207.13850	1.7
213.16428	1.4
215.14497	1.0
215.18004	8.7
219.13829	3.7
219.21106	2.8
229.19530	3.4
257.18982	5.3
257.22714	6.7
275.16837	1.9
275.20090	32.2
275.23730	12.6
275.27383	44.4
276.20554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2374
Annotation	Androstenol
Peak:m/z	Relative Intensity
51.89788	2.0
55.05511	16.0
57.03449	2.4
57.07075	8.2
67.05513	15.5
69.07072	21.4
71.04993	6.1
79.05502	7.8
81.07057	33.0
83.08620	7.7
85.06530	7.2
85.65750	2.2
88.18114	2.2
91.05470	9.8
93.07056	21.1
95.04978	2.6
95.08051	3.7
95.08611	41.4
97.10167	8.8
99.08080	3.2
105.07027	23.9
107.08601	36.5
109.06532	3.7
109.10157	31.3
111.08070	3.2
111.11749	2.8
113.09637	4.1
117.07047	4.5
119.08585	32.8
121.10141	39.4
123.08074	4.4
123.11707	19.3
123.51008	2.2
131.08606	9.9
133.10153	30.0
135.11707	33.8
137.09624	2.9
137.13261	6.2
139.11122	2.3
143.08638	3.1
145.10115	17.2
147.11676	25.6
149.13249	20.4
157.10156	2.6
158.04039	6.6
159.11707	22.7
161.13245	23.1
163.11240	2.5
163.14819	10.2
165.12749	5.4
171.11732	2.8
173.13263	25.3
175.14844	21.6
177.16400	4.0
179.14441	2.7
187.14789	25.0
189.16396	6.8
191.14343	4.7
191.18068	2.5
201.16415	16.0
203.18013	7.3
205.15941	4.5
213.16368	2.5
215.17931	5.8
217.19511	30.2
219.13788	3.3
219.17439	3.3
229.19456	10.1
231.21140	4.0
257.18933	3.9
257.19528	4.1
257.22650	69.0
258.23053	3.6
275.20129	37.7
275.23737	100.0
275.27686	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	275.2371
Annotation	5alpha-Androstan-2-en-17beta-ol
Peak:m/z	Relative Intensity
53.03931	1.1
55.01864	1.1
55.05513	12.1
56.96555	1.2
57.03419	0.6
57.07076	5.1
57.36131	0.7
59.04994	0.7
62.80433	0.6
65.03952	1.8
67.05505	25.8
67.98954	0.7
69.03431	0.9
69.06714	0.7
69.07065	17.0
70.95446	0.7
71.04988	2.1
71.08627	1.4
71.60337	1.0
79.05498	11.6
81.07056	40.5
83.04973	1.4
83.08614	10.6
84.92156	0.7
85.06548	1.8
88.07635	0.9
91.05476	11.9
93.07046	31.0
95.04958	2.5
95.08607	83.3
97.06526	3.7
97.10157	5.0
99.08092	2.0
103.05482	0.9
105.07028	20.0
107.04977	0.9
107.08595	47.0
109.06525	3.6
109.10157	60.5
111.04436	1.4
111.08076	19.5
111.11725	1.3
113.09647	1.3
115.05451	0.9
117.07046	4.0
119.08581	24.8
121.06494	0.7
121.10147	46.2
121.35117	0.7
123.08090	3.1
123.11710	22.2
125.06031	0.9
125.09625	3.0
129.07005	1.0
131.08559	8.1
133.10129	21.0
133.11095	1.5
135.08101	1.7
135.11703	18.2
137.06033	0.7
137.09674	3.9
137.13254	12.2
139.07513	0.9
139.11208	1.9
143.08553	2.5
144.09303	1.1
145.10126	15.2
147.11690	16.7
149.09605	2.6
149.13257	15.9
151.07524	1.0
151.11174	6.4
151.14807	3.1
153.09013	1.2
153.12753	2.0
157.10150	3.6
158.10947	0.8
159.08125	1.0
159.10440	1.5
159.11684	17.3
161.13272	14.5
162.13881	0.7
163.11182	1.9
163.14825	12.3
165.09097	1.4
165.12749	2.9
167.10652	1.5
169.10217	1.0
171.11685	2.8
173.13274	12.6
175.11142	0.9
175.14851	8.5
177.12762	1.4
177.16354	7.4
179.10680	1.2
179.14317	2.9
181.12059	0.8
183.11623	0.7
185.13304	1.0
187.11205	1.4
187.14807	10.8
189.16374	2.6
191.14368	1.8
191.17961	1.6
193.12270	2.4
193.15923	1.5
197.13232	0.9
199.14824	1.1
201.16399	8.8
203.17986	3.4
205.12218	2.6
205.15915	2.0
207.13858	1.1
213.16345	2.5
215.14464	1.1
215.17940	17.1
217.19434	4.5
219.13742	3.7
219.17302	0.8
229.19519	3.8
231.21150	1.6
239.17767	1.0
247.24266	2.6
248.70854	0.9
257.19009	6.9
257.22650	36.3
275.20102	46.0
275.23691	100.0
275.27542	4.2
276.20578	1.3
276.23935	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2371
Annotation	5alpha-Androstan-2-en-17beta-ol
Peak:m/z	Relative Intensity
52.08694	0.7
53.03931	0.8
55.05506	9.6
57.07075	3.3
59.05027	0.7
67.05507	7.7
69.03435	0.8
69.07065	18.1
69.50929	6.3
71.05002	1.4
79.05491	6.4
81.06581	1.2
81.07059	24.6
83.08629	7.5
85.06549	3.3
85.76497	0.6
91.05490	5.0
93.07051	15.4
95.04987	1.0
95.08611	30.2
95.25904	0.7
97.06546	1.6
97.10179	5.5
99.08106	4.3
105.07033	13.4
107.08598	25.8
109.06541	2.4
109.10156	21.8
111.08065	1.6
111.11722	1.3
113.09667	5.7
117.07027	1.7
119.08590	15.4
119.09371	0.6
121.06573	1.2
121.10151	22.4
123.08061	2.5
123.11719	15.0
125.09628	2.3
129.07001	1.2
131.08577	4.3
133.10136	14.8
135.08089	1.3
135.11700	13.8
137.09618	4.2
137.13248	3.9
139.11194	1.4
143.08551	0.9
145.10112	10.1
147.11688	12.7
149.09641	2.9
149.13283	9.9
151.11226	3.6
151.14838	0.9
157.10147	1.1
159.11691	8.9
161.13254	13.0
163.14813	7.5
165.12776	3.1
167.14328	0.9
171.11746	0.9
173.13281	11.6
175.14828	9.5
177.09167	1.3
177.12700	1.4
177.16399	11.6
179.10706	0.9
179.14314	2.8
187.14822	11.2
189.16431	2.8
191.10667	0.8
191.14384	2.7
191.18065	1.3
193.15894	2.3
199.14835	0.9
201.12781	1.0
201.16396	9.1
203.17969	2.5
205.12207	1.0
205.15913	3.3
207.17393	0.9
215.17992	6.5
217.19513	6.4
219.13837	2.1
219.17464	3.0
229.19516	2.3
231.21039	4.1
233.15211	1.0
239.18050	0.7
247.24098	1.1
257.19080	3.0
257.22650	34.7
258.22992	1.4
275.20154	21.9
275.23730	100.0
275.27496	2.9
276.23950	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.62141	0.7
53.03925	1.0
55.01876	0.9
55.05505	8.5
57.07051	2.2
59.20441	0.6
61.02913	0.8
65.03918	1.9
65.10893	0.7
67.05501	23.7
69.03403	0.9
69.07064	15.3
69.79178	4.8
71.04966	1.2
71.08614	0.8
77.03961	0.6
79.05489	20.5
81.07051	38.1
83.04961	2.5
83.08608	7.2
85.06518	0.8
91.05469	17.2
93.07041	39.0
95.04952	2.9
95.08602	53.0
96.08934	0.9
97.02846	0.9
97.06516	2.5
97.09228	0.7
97.10148	2.2
103.05439	1.1
105.07025	27.5
107.04929	2.6
107.08588	47.0
109.06489	3.2
109.10149	39.6
109.10930	1.1
110.10521	0.9
111.04434	7.9
111.08078	1.1
115.05428	1.2
117.06996	6.7
119.08579	28.6
121.06498	2.1
121.10135	38.1
123.08079	1.8
123.11700	17.1
125.05973	3.4
125.09638	1.1
129.06979	3.0
131.08571	12.4
133.06476	1.6
133.10129	21.4
135.08023	3.0
135.11678	17.3
137.05957	1.2
137.09610	1.3
137.13235	2.3
139.07524	2.2
142.07773	1.9
143.08530	6.0
144.09314	1.3
145.01881	0.7
145.06453	1.0
145.09050	1.1
145.10121	19.7
147.08029	1.2
147.11679	14.4
149.09605	2.2
149.13225	3.9
151.07516	2.4
153.09122	2.4
155.08577	1.0
157.06485	0.9
157.10120	7.0
159.07983	1.2
159.11691	23.4
160.12378	0.9
161.09630	2.1
161.13264	8.7
163.11180	1.7
163.14879	1.3
165.09090	3.4
165.12735	0.7
167.10657	3.7
169.10112	1.5
171.11696	2.6
173.09644	2.6
173.13266	10.8
175.11209	1.5
175.14815	11.9
177.09073	2.2
177.12817	0.8
177.16389	5.2
179.10709	3.9
181.12221	2.1
183.11601	1.6
185.13251	1.9
187.11140	4.7
187.14801	2.8
189.12648	0.9
189.16362	1.5
191.10625	4.5
192.66679	0.7
193.12262	5.7
197.13277	1.4
199.14803	0.8
201.12817	4.8
201.16472	1.3
205.12216	10.2
207.13881	3.5
213.16373	3.2
215.14578	1.2
215.17938	25.9
219.13788	11.5
229.15874	1.0
229.19470	9.7
233.15326	0.9
234.65349	0.7
239.17921	2.6
257.15262	1.5
257.18994	16.3
275.20047	100.0
275.27762	3.0
276.16138	1.5
276.20486	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05524	3.8
57.07091	7.5
58.07403	1.8
60.36996	1.7
61.82286	1.8
67.05492	7.4
69.07065	3.8
70.06589	6.6
70.09720	5.5
70.10137	3.8
70.31324	1.4
71.05000	9.1
71.06930	2.6
71.08637	2.4
77.20224	1.4
79.05490	4.6
81.07056	6.3
83.04984	5.5
83.08643	2.6
85.06548	6.0
87.96283	1.7
88.07635	7.7
89.07967	3.7
91.05502	9.2
93.07056	16.3
95.05013	2.3
95.08617	17.3
97.06506	3.0
103.09513	2.1
105.07045	14.9
106.08658	5.1
107.08582	15.0
109.06528	10.9
109.10160	7.8
111.08097	11.1
115.05462	1.8
117.07014	4.3
118.85237	1.6
119.08591	18.4
120.89482	1.5
121.10143	21.2
123.11671	4.5
129.06992	3.9
131.08586	18.4
133.10136	20.1
135.08049	19.6
135.11705	3.3
137.09653	11.0
142.07808	5.6
143.08553	10.3
144.09389	3.3
145.10115	17.7
147.11693	4.5
151.11168	2.2
155.08481	2.4
156.09305	3.2
157.10138	14.6
158.10919	7.3
159.07967	1.7
159.11702	27.8
161.09691	2.7
163.11192	2.0
166.24620	1.6
168.09389	2.6
168.42168	1.7
169.10167	3.3
171.11690	10.5
173.09604	1.8
173.13275	39.1
174.14050	4.8
175.11205	5.6
175.14836	4.4
177.12767	8.3
183.11676	7.7
184.12476	4.3
187.11252	3.0
187.14861	7.2
189.12688	2.1
191.14304	4.7
197.13313	5.4
199.14809	13.7
201.12788	8.1
213.16447	5.5
214.17146	2.6
215.17899	3.8
217.15950	3.5
239.18025	4.9
257.19037	15.2
257.26718	5.0
275.20108	24.5
275.27777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.33473	0.4
53.03932	1.0
55.01867	0.6
55.05506	8.4
57.07072	2.0
61.02905	0.7
62.65724	0.4
65.03925	1.4
67.03045	0.4
67.05502	21.0
69.03413	0.7
69.07061	14.8
71.04578	1.0
71.04983	1.4
71.08624	0.6
73.06539	0.5
77.03912	0.9
79.05488	19.1
81.07052	34.6
83.04955	1.5
83.08613	8.4
85.02899	0.7
85.06537	0.7
85.10166	0.5
85.68030	0.4
91.04890	0.5
91.05473	15.2
93.07040	38.7
94.07349	0.7
95.04972	2.5
95.08601	50.1
97.02861	1.0
97.06508	1.6
97.10195	2.1
99.04363	0.4
103.05418	0.6
105.07024	25.9
106.07791	0.5
107.04938	1.6
107.08588	47.2
108.08860	0.5
108.82070	0.4
109.06530	2.9
109.10149	38.8
110.10468	0.6
111.04439	8.7
111.08064	1.4
113.57594	0.4
115.05435	0.5
117.07013	6.6
119.04885	0.4
119.06087	0.5
119.08575	25.3
121.06468	1.7
121.10136	42.8
123.08066	2.6
123.11698	14.8
125.05999	3.0
125.09615	1.0
128.06232	0.5
129.06970	2.3
131.08565	9.7
133.06465	1.4
133.10126	21.8
134.10390	0.4
135.08090	2.2
135.11684	21.2
137.05968	1.2
137.09581	0.6
137.13219	3.3
139.07524	2.3
141.06950	0.8
142.07727	0.7
143.08540	6.1
144.09303	1.0
145.06448	0.7
145.10115	20.4
147.08063	2.0
147.11676	13.0
149.05934	0.7
149.09590	2.4
149.13264	4.1
151.07529	3.3
151.11150	0.7
151.14862	0.5
153.09087	2.8
155.08487	0.9
157.06491	1.0
157.10123	7.7
159.08069	1.9
159.11687	20.7
160.12277	0.5
161.09613	2.6
161.13251	8.4
163.07455	0.7
163.11148	1.1
163.14760	1.4
165.09070	3.9
167.10663	4.2
169.10126	1.0
171.11722	3.2
172.12479	0.5
173.09598	2.2
173.13248	11.3
175.11180	1.5
175.14822	11.6
177.09085	1.4
177.12717	1.0
177.16409	2.5
179.10664	4.2
181.12294	2.1
183.11650	1.5
185.13255	1.6
186.14043	0.5
187.11186	3.5
187.12680	0.5
187.13431	0.4
187.14806	3.1
189.12717	0.8
189.16327	1.2
191.10645	3.9
191.14262	1.1
193.12227	7.5
197.13232	1.8
201.12733	3.9
201.16344	1.0
205.12239	11.5
205.14163	0.6
207.13799	4.0
211.14825	0.7
213.12752	1.0
213.16391	3.0
215.14413	2.4
215.17934	29.4
216.18513	0.5
219.13785	13.4
227.18010	0.5
229.15872	1.4
229.19496	9.8
231.21027	0.7
233.15372	1.6
239.17877	2.5
243.70851	0.4
247.20670	0.6
257.15408	2.0
257.18994	16.8
275.16623	6.7
275.20038	100.0
276.17209	0.5
276.20380	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.02376	0.7
53.03938	1.2
53.41451	0.6
55.01874	0.7
55.05510	10.3
57.07062	1.5
57.51876	0.5
61.02911	0.9
64.19518	0.6
65.03949	1.1
67.05506	24.9
69.03441	0.6
69.07072	15.7
69.27652	0.8
69.28056	5.1
71.04985	1.1
77.03906	0.9
79.05494	20.6
80.32267	0.5
81.07059	38.2
83.04988	2.9
83.08620	8.8
85.06533	1.0
91.05482	20.4
93.07045	43.6
94.07381	0.9
95.04965	2.0
95.08609	53.3
96.08920	0.6
97.06520	1.8
97.10155	2.0
98.20778	1.1
98.96539	0.5
99.08031	0.6
103.05502	0.7
105.07034	28.2
107.04924	2.0
107.08596	54.4
108.08926	0.8
109.06515	4.0
109.10158	43.1
111.03692	0.8
111.04446	11.9
111.08064	1.4
113.24858	0.5
115.05439	0.9
117.07024	6.2
119.08586	30.4
121.06544	2.4
121.10147	50.3
123.08068	2.2
123.11710	18.2
125.05962	2.5
125.09622	0.8
129.06995	2.5
130.07782	0.5
131.07597	0.8
131.08574	13.0
133.06490	0.9
133.09109	1.0
133.10133	22.5
135.08057	2.3
135.11696	24.8
136.11958	0.7
137.06006	1.2
137.09561	0.6
137.13249	2.8
139.07495	2.4
142.07710	1.3
143.08553	7.1
144.09328	1.0
145.06448	0.7
145.10123	23.7
145.11305	1.1
145.43472	0.5
147.08063	2.3
147.11693	15.0
149.05939	0.5
149.09631	2.5
149.13281	4.8
151.07518	3.3
153.09125	3.3
155.08574	1.6
157.06497	0.7
157.10139	7.9
159.08051	1.9
159.11703	25.6
160.12262	1.0
161.09619	2.8
161.13254	9.9
163.07555	0.9
163.11200	1.9
163.14816	2.0
165.09108	3.6
167.10663	5.1
169.10127	0.9
171.11774	3.4
173.09671	2.5
173.13268	12.9
174.82962	0.5
175.11151	1.8
175.14825	14.3
177.09126	1.7
177.12790	0.8
177.16367	2.5
179.10640	4.2
181.12202	2.2
183.11700	1.6
185.13283	1.9
187.11201	5.0
187.14828	3.8
189.12863	0.7
189.16437	0.9
191.10664	4.3
191.14322	0.5
192.30464	0.5
193.12248	6.1
197.13298	1.2
199.14795	1.0
201.12720	4.7
201.16371	1.1
205.12233	11.0
207.13829	3.9
211.14810	1.0
213.12730	0.9
213.16438	3.3
215.14369	1.9
215.17966	34.2
216.18312	1.1
219.13803	13.1
227.17860	0.7
229.15993	0.9
229.19521	9.9
231.21107	0.7
233.15334	1.6
239.14351	0.6
239.17950	2.3
247.20615	0.6
257.15433	1.5
257.19025	17.5
275.16739	4.8
275.20065	100.0
276.20493	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03944	1.7
55.01864	4.0
55.05273	1.5
55.05512	23.9
57.03418	2.0
60.65856	0.9
63.64230	1.0
67.05505	25.9
67.24988	0.9
69.03415	1.7
69.07064	8.2
69.58396	4.2
69.58817	3.7
71.04989	2.1
72.28953	0.9
79.05492	40.7
79.05958	2.1
81.07053	20.0
83.04967	2.8
83.08618	4.7
91.05482	27.7
93.07042	23.2
95.04942	3.1
95.08599	9.6
97.06516	2.4
97.10160	3.7
99.44531	1.0
104.90056	1.0
105.07030	36.6
107.04951	22.0
107.08591	27.7
109.06503	1.7
109.10152	15.2
111.68439	1.2
117.07022	8.9
119.08584	24.7
121.06496	2.2
121.10135	11.0
123.11684	3.6
125.09641	5.7
129.06972	2.6
130.42772	1.0
131.08583	12.1
133.10129	23.6
135.08044	6.1
135.11673	2.7
141.06979	1.4
143.08580	2.4
145.10094	12.4
147.11691	18.3
149.09622	50.0
153.09128	2.4
155.08556	1.8
157.10150	2.0
159.11681	8.3
161.13217	5.9
162.09756	0.9
163.11136	1.3
163.95210	1.1
165.24901	1.1
167.10667	1.5
169.10127	2.1
169.12178	2.1
171.11688	1.5
173.11742	4.2
173.13277	4.1
175.11130	1.4
177.12714	1.1
183.11662	1.7
187.11162	1.9
187.13309	2.3
187.14957	1.4
197.13193	1.6
215.17969	2.6
229.19553	8.5
233.15326	1.6
239.17928	3.1
247.20651	1.9
257.18991	17.0
275.20062	100.0
276.20407	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03941	1.1
55.01869	2.1
55.05511	12.2
56.62222	0.5
57.03431	0.9
57.07076	2.7
59.04990	0.6
65.03934	0.8
67.05502	16.9
69.03420	1.2
69.07068	18.8
69.83934	3.2
71.05000	2.5
77.03925	0.7
79.05493	16.6
81.07057	30.9
83.04986	5.2
83.08617	8.5
85.06551	2.1
88.07665	0.6
91.05481	17.2
93.07046	27.7
94.07352	0.6
95.04977	4.5
95.08604	32.0
96.08915	0.6
97.06522	2.9
97.10178	4.3
99.08081	2.6
105.07030	24.1
106.08694	0.5
107.04975	3.0
107.08592	31.3
109.06533	5.5
109.10157	26.1
109.10923	1.0
111.04436	1.4
111.08084	2.4
113.09635	2.8
113.18092	0.5
115.04675	0.5
115.05495	0.6
116.66171	0.4
117.07016	5.6
119.08582	23.7
121.06506	5.0
121.10143	28.3
121.78675	0.5
123.08079	3.6
123.11701	11.3
125.05956	1.0
125.09624	1.5
127.07539	0.8
129.07002	2.5
130.07826	0.5
131.08569	10.4
133.06479	1.4
133.10132	22.6
135.08067	3.4
135.11685	14.1
137.05994	0.7
137.09631	3.0
137.13229	2.7
139.07549	0.7
139.11226	0.7
141.07007	1.0
141.81134	0.5
142.07693	0.5
143.08534	3.8
144.09410	0.7
145.06453	1.0
145.10126	17.3
146.10802	0.6
146.27098	0.6
147.08070	1.9
147.11687	16.0
149.09641	4.0
149.13243	8.5
151.07501	0.5
151.11197	3.5
151.14722	0.6
153.09131	1.3
155.08553	1.3
157.10130	5.7
158.10811	0.7
159.08028	1.2
159.11693	19.1
161.09648	1.6
161.13248	9.9
163.11171	2.4
163.14813	5.0
165.09096	2.1
165.12831	2.4
165.14000	0.5
165.27676	0.4
167.10730	2.1
169.10175	1.9
171.11679	2.1
173.09639	1.4
173.13269	13.6
173.14682	1.0
174.14018	0.6
175.11261	2.3
175.14821	9.9
177.09126	1.4
177.12761	2.1
177.16385	5.9
179.10692	2.2
179.14339	1.3
181.12199	0.7
183.11690	1.5
185.13268	1.5
186.53522	0.5
187.11142	1.9
187.14819	9.1
189.12743	0.6
189.16379	2.0
191.10701	1.7
191.14201	2.3
191.17958	1.0
193.12251	3.1
193.16000	0.7
197.13301	1.8
198.25026	0.5
199.14862	1.1
201.12721	2.5
201.16415	5.3
202.82985	0.5
203.17992	1.3
205.12259	4.5
205.13814	0.6
205.15854	2.3
207.13795	1.7
211.14906	1.1
213.16396	1.7
215.14410	1.7
215.17955	20.3
216.18327	0.7
217.19524	3.5
219.13785	7.6
219.17426	1.3
229.15858	1.1
229.19492	5.9
231.21043	3.0
233.15398	1.7
233.22641	0.5
239.17929	4.0
247.20573	1.3
247.24252	0.8
257.15335	1.0
257.19019	16.8
257.22675	14.0
257.26672	0.7
275.20093	100.0
275.23676	41.3
275.27740	6.4
276.20584	3.0
276.23410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
54.02798	2.1
54.66151	2.0
55.01889	2.3
55.05515	14.5
56.05932	1.8
57.03430	5.8
57.07061	3.5
67.05503	19.5
69.03423	3.3
69.07053	11.6
70.99689	5.3
71.00064	4.3
71.04983	9.4
79.05497	15.5
81.07066	23.7
83.04977	3.8
83.08604	5.1
83.47625	2.0
85.06567	5.6
88.07627	2.3
91.05476	32.1
93.07027	21.7
95.04964	5.0
95.08611	18.4
97.06506	3.5
105.07030	41.8
107.08586	18.7
109.06557	11.5
109.10149	9.1
111.08097	11.4
117.07048	11.7
119.08589	39.1
121.06553	2.8
121.10146	18.5
123.08060	6.4
123.11705	4.2
127.48508	2.2
129.06992	6.0
131.08565	22.9
133.10124	31.2
135.08038	16.2
135.11687	5.2
137.09607	2.8
142.07729	6.2
143.08548	8.7
145.10129	22.1
147.11652	16.5
149.09592	8.8
155.08554	3.7
157.10114	19.8
158.10939	5.2
159.11690	26.9
161.09639	2.5
161.13168	4.3
163.11211	3.5
168.09464	2.3
169.10104	4.2
171.11737	9.5
173.13277	38.4
174.14027	4.8
175.11209	6.3
175.14864	2.8
177.12747	6.1
183.11711	10.0
185.13269	4.8
187.11143	2.9
187.14833	5.8
189.12767	3.4
191.14343	7.7
197.13255	7.9
199.14853	10.0
201.12769	7.0
209.98293	2.1
213.16380	4.5
215.18016	5.2
239.17873	7.3
247.20610	2.7
250.89589	2.2
256.23300	2.4
257.19061	22.7
275.20068	100.0
275.27750	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	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.18719	0.9
53.03936	1.4
55.01860	3.6
55.05274	1.1
55.05515	12.0
56.25327	0.8
57.03422	2.7
57.07063	1.1
65.03956	1.1
67.05506	18.2
69.03435	9.0
69.07072	8.9
71.04390	1.1
71.04992	4.0
73.02894	2.9
73.03325	0.9
79.05488	15.2
80.57211	1.3
81.07061	24.1
83.04979	8.2
83.08610	4.1
85.02912	6.2
85.06557	1.2
91.05487	27.3
93.07044	18.2
95.04976	6.7
95.08604	14.5
96.23521	1.0
97.02892	4.5
97.06519	4.6
97.10133	1.0
98.20731	2.5
99.04432	1.6
103.05453	1.0
105.07031	40.5
107.04932	3.4
107.08590	13.3
109.06506	4.5
109.10157	5.8
111.04424	4.2
111.08056	1.6
113.06007	6.2
115.05483	0.9
117.05492	2.2
117.07009	7.0
119.08579	27.8
121.06519	1.3
121.10155	7.5
123.08078	2.4
123.11678	1.8
125.09606	1.9
129.05493	1.3
129.06999	1.8
131.08578	12.0
133.10138	28.3
135.08047	3.7
135.11707	4.2
137.09602	2.5
140.38860	1.0
141.06931	1.6
143.08589	2.3
145.10112	12.0
147.11699	13.9
149.09631	4.6
149.13301	2.0
151.11134	1.9
153.05472	1.2
155.08521	1.4
157.04933	1.0
157.10133	2.7
159.08022	1.5
159.11711	9.0
161.09663	1.6
161.13229	4.3
161.39268	1.0
163.11179	3.6
165.12704	1.7
169.10109	1.1
171.11697	2.2
173.13281	7.2
175.11191	1.2
175.14830	1.1
177.12825	1.6
183.11710	3.2
187.11137	2.0
187.14847	1.6
197.13319	2.7
199.14972	1.0
215.14394	1.1
215.17934	2.2
229.19533	5.7
239.17958	5.3
247.20544	1.4
257.19040	11.4
275.11212	2.6
275.16895	3.4
275.20062	100.0
276.20428	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.4
55.01866	1.4
55.05511	14.1
56.96557	1.1
57.03419	0.9
57.07076	2.2
65.82679	1.0
67.05166	1.2
67.05502	12.2
69.07062	6.2
70.06574	4.2
70.24052	1.3
70.24470	3.1
71.04976	1.0
71.06895	1.4
79.05495	11.7
80.83011	1.0
81.07059	14.5
83.04946	1.7
83.08598	3.7
87.17690	0.9
88.07647	1.7
91.05479	34.2
91.95573	0.9
93.07045	14.2
95.04942	3.0
95.08607	10.5
97.06548	1.1
97.10140	3.1
102.09119	1.1
102.42554	1.0
105.07026	53.2
107.04942	1.7
107.08571	10.0
109.06499	1.5
109.10150	5.7
111.08046	1.0
117.07024	8.4
118.12210	0.8
119.08578	26.1
121.00508	6.0
121.06490	1.7
121.10142	5.1
125.09686	1.3
129.06999	2.1
131.01137	0.9
131.08554	11.9
133.10132	35.5
135.08011	1.4
135.11667	2.9
136.84624	0.9
143.01804	2.3
143.08514	1.8
145.10104	16.2
147.11676	22.6
149.09633	4.7
149.13196	0.9
155.08553	1.6
157.10133	2.7
159.11696	8.3
161.13242	4.0
167.99689	1.7
169.10191	1.3
171.11659	2.8
172.00943	1.9
173.13228	3.2
177.00214	2.9
177.12790	1.1
183.11679	2.7
189.12788	1.1
197.13277	1.8
211.14685	1.1
215.18010	1.5
217.02591	4.3
229.19421	1.5
239.17995	4.2
246.19348	1.0
252.04672	3.5
257.19073	10.7
261.05234	4.2
263.55432	2.0
275.20059	100.0
275.27771	18.5
276.20587	2.7
279.19366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03953	1.3
53.55755	0.6
55.01866	2.9
55.05269	0.9
55.05511	12.5
57.07066	3.0
58.07413	1.1
61.31314	0.7
64.74146	0.7
65.03935	1.0
67.05173	0.9
67.05504	13.2
69.03413	0.9
69.07069	8.1
69.46509	6.4
70.06594	5.3
71.04986	2.3
71.06911	2.4
71.08620	0.8
79.05067	1.0
79.05494	14.5
81.07059	15.4
83.04955	2.2
83.08606	4.2
84.83402	0.9
85.06552	1.4
88.07633	4.4
89.05772	0.7
89.07941	0.9
91.05477	31.7
93.07043	16.0
95.04985	3.5
95.08607	11.1
97.06504	2.1
97.10148	1.9
99.08042	0.7
102.09127	0.8
103.05450	1.0
105.07028	49.2
106.08665	1.5
107.04942	2.2
107.08572	13.1
109.06500	2.7
109.10168	4.6
111.08089	0.8
117.06202	1.1
117.07015	9.4
119.08578	28.0
121.06479	1.8
121.10131	5.1
123.08096	1.6
123.11707	0.8
125.09584	1.4
129.06987	2.5
131.08551	11.8
133.10127	34.3
133.77927	0.7
135.08022	2.7
135.11649	2.9
137.09618	1.1
141.06929	1.3
143.08542	2.7
145.10114	16.6
147.08102	1.2
147.11687	22.0
149.09628	5.2
149.13252	0.9
153.09163	0.8
155.08527	1.2
157.10114	2.1
159.11693	9.3
161.09599	2.5
161.13269	4.3
163.11200	3.0
169.10207	1.1
171.11673	2.7
173.13322	4.2
175.11195	1.1
175.14845	1.4
177.12747	0.8
179.14401	0.8
181.88344	0.7
183.11668	2.7
185.13326	1.5
187.14813	1.5
197.13298	2.3
213.16481	0.8
215.14284	1.0
217.15863	0.8
219.13805	1.1
229.19562	1.8
233.15186	0.7
239.17857	4.4
247.20535	1.2
257.18997	10.5
257.26639	2.7
275.20056	100.0
275.27750	41.4
276.20407	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03922	2.0
55.01853	4.3
55.05512	12.6
57.07055	2.7
61.14320	1.4
65.03927	1.7
67.05503	24.1
68.32085	1.4
69.07059	13.0
70.67992	1.3
71.04991	2.6
71.51072	1.9
74.14611	1.5
79.05063	1.7
79.05487	21.6
81.07058	26.3
83.04968	2.8
83.08606	5.3
84.68181	1.3
85.06533	1.8
91.05476	25.7
93.07046	27.5
95.04947	3.4
95.08605	26.9
97.06516	4.8
97.10099	2.0
105.07028	41.0
107.04953	9.1
107.08602	27.3
109.06458	3.1
109.10160	19.0
110.53158	1.5
111.04442	3.8
111.08107	2.2
112.13271	1.6
116.64337	1.4
117.07007	6.9
119.08574	28.4
121.06532	3.1
121.10146	19.2
123.08042	2.3
123.11701	6.6
125.05955	1.5
125.09607	2.8
129.07019	3.1
131.08563	13.4
133.10138	28.9
135.08049	4.1
135.11711	10.1
137.09608	1.6
137.13275	2.3
143.08580	4.4
145.10149	15.4
147.11684	16.5
149.09618	16.5
149.13206	2.4
157.10120	4.9
159.11676	14.1
161.01285	2.5
161.09651	1.8
161.13235	4.9
163.11174	1.7
165.09097	1.8
167.10687	1.9
171.11763	3.1
173.11884	1.7
173.13248	7.5
175.11308	1.7
175.14828	4.2
179.02220	1.8
179.10718	1.8
181.12094	1.6
183.11761	1.6
187.11246	1.9
187.14851	4.4
189.12570	1.5
191.10771	1.8
197.13191	1.4
201.12701	2.5
205.12187	2.5
215.17967	11.3
219.13895	3.5
229.19553	6.9
238.47069	1.6
239.17943	4.7
247.20518	2.0
257.18948	12.4
275.20074	100.0
275.23090	3.4
275.27728	8.0
276.20496	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03924	1.3
55.01848	1.2
55.05508	11.2
56.96550	1.0
57.03446	1.2
57.07046	1.1
65.03941	0.9
67.05502	19.1
69.03416	2.6
69.07066	10.0
71.04986	1.6
71.59247	0.7
71.59647	1.1
79.05060	1.0
79.05489	15.3
81.06573	1.4
81.07052	25.9
83.04961	2.9
83.08617	6.2
85.02859	0.8
85.06530	1.4
88.07615	0.7
91.05476	23.6
93.00770	0.7
93.07037	27.5
95.04961	3.6
95.08599	27.0
97.06530	2.1
97.10163	2.8
103.05470	1.4
105.07026	35.1
107.04940	3.0
107.08586	29.1
109.06500	3.1
109.10148	18.9
111.04447	4.8
111.08085	1.4
113.05991	1.3
115.05495	0.7
117.06992	7.2
119.08578	25.5
121.06472	2.6
121.10133	21.7
123.08060	1.8
123.11695	8.2
125.05995	1.6
125.09593	1.3
127.03878	0.8
129.06979	2.4
130.07741	0.8
131.08562	12.0
132.09288	0.7
133.10118	23.6
135.08046	2.9
135.11694	11.1
136.08856	0.7
137.05925	0.7
137.09644	2.0
137.13235	1.5
139.07491	1.2
142.07666	0.7
143.08580	3.5
144.09354	1.1
145.06465	0.8
145.10109	16.0
146.05983	0.8
147.07991	2.1
147.11687	17.0
149.09634	4.8
149.13200	3.2
151.07530	1.0
151.11185	0.9
153.09119	1.6
155.08614	0.7
155.90025	0.7
157.10098	5.1
159.08049	1.0
159.11688	13.5
161.09630	2.1
161.13254	7.2
163.03857	0.7
163.11185	2.9
163.14809	1.4
165.09077	1.0
165.12845	1.0
167.10660	2.2
169.10062	1.7
171.11690	2.8
173.09608	1.2
173.13232	8.1
175.11172	2.2
175.14842	5.9
177.09090	1.1
177.12717	1.7
177.16391	1.9
179.10674	2.1
181.12186	1.3
183.11710	2.5
185.13246	0.7
187.11147	2.6
187.14798	3.1
188.15495	0.7
189.16397	0.8
191.10728	2.0
191.14288	1.2
193.12216	2.7
197.13278	1.2
199.14780	1.3
201.12726	2.5
201.16344	0.8
205.12248	5.0
207.13873	1.3
213.16406	1.5
215.14505	1.5
215.17937	11.6
217.15964	0.9
219.13762	5.6
229.15833	1.3
229.19530	8.0
233.15320	1.6
239.17960	3.3
247.20479	0.9
255.59326	0.7
257.19009	13.6
275.20047	100.0
275.27710	1.9
276.20358	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	1.5
53.69054	0.6
55.01860	1.7
55.05514	9.8
57.03416	1.1
57.07066	0.9
63.91301	0.7
65.03934	1.4
67.05505	12.1
69.07070	8.4
70.12398	2.3
70.12810	1.1
71.04965	2.6
79.05494	14.4
81.07059	14.4
83.04960	1.8
83.08622	2.6
85.06521	1.1
91.05480	33.5
93.07044	12.3
93.18955	0.6
95.04954	3.2
95.08607	10.5
97.06506	1.6
97.10144	1.8
103.05447	0.9
105.07029	44.9
107.04912	1.5
107.08596	10.0
109.06527	1.4
109.10145	4.3
111.08064	1.0
117.07021	8.6
119.08583	26.8
121.06493	1.8
121.10146	4.9
123.08082	0.9
123.11696	1.5
128.06215	0.7
129.07002	1.5
131.08560	11.6
133.06488	1.0
133.09114	1.3
133.10130	26.2
135.08040	2.2
135.11684	2.5
137.09583	0.9
141.23897	0.6
143.08571	0.9
145.10106	10.1
147.08037	1.1
147.11681	20.3
149.09596	2.8
149.13194	0.9
151.11198	0.8
155.08508	1.4
156.63680	0.6
157.10129	2.3
159.11687	6.5
160.12294	0.7
161.09636	1.5
161.13226	5.9
163.11169	2.4
169.10150	1.2
171.11729	2.7
173.13293	4.5
175.14764	1.0
177.12688	1.0
183.11719	2.5
185.13260	1.3
187.11179	1.0
187.14810	1.1
197.13219	1.8
201.12737	0.8
205.12360	0.9
211.14835	1.4
215.18063	1.0
223.62941	0.6
229.19528	1.9
229.37724	0.7
233.15309	0.9
238.36555	0.6
239.18059	3.1
247.20543	1.3
257.19055	7.3
265.34018	0.7
275.20059	100.0
276.20352	2.9
288.01715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0484
Annotation	Phenylbenzimidazolesulfonic acid
Peak:m/z	Relative Intensity
55.05503	0.5
56.96553	0.4
67.05485	0.3
68.23147	0.2
69.03389	0.3
69.07072	0.4
70.06591	0.6
71.04977	0.4
71.58797	0.3
71.59163	0.3
77.46245	0.2
79.05495	0.3
80.05009	0.2
81.03415	0.3
81.07047	0.6
83.04982	0.4
84.04499	0.3
84.08150	0.4
85.02900	0.3
86.09691	0.7
91.05473	0.3
91.58073	0.2
92.04990	0.7
93.07043	0.3
97.02882	0.4
98.97586	0.3
105.07018	0.4
107.08591	0.4
108.04478	1.1
109.06503	0.3
116.98619	0.6
119.01910	0.3
128.98595	0.3
133.10117	0.3
134.99670	0.5
161.01205	0.2
161.30209	0.2
162.07622	0.6
174.97012	0.2
177.00656	0.2
177.27815	0.2
177.43108	0.2
182.08421	0.6
183.09198	0.2
193.07599	1.9
194.08394	13.9
195.09172	5.3
203.07507	0.3
209.07074	0.5
210.07858	0.8
211.08656	2.9
219.01787	0.2
226.07375	14.0
232.05992	0.3
237.02808	0.7
247.06204	0.2
257.08948	0.2
261.02728	0.2
264.67096	0.2
266.09302	0.3
274.27380	0.5
275.04846	100.0
276.05048	0.9
279.03806	0.3
289.65723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
55.05511	15.9
57.03434	1.3
67.05501	4.3
69.03429	9.2
69.07070	3.4
69.46130	4.5
79.05495	8.3
81.07055	5.9
83.04985	1.2
83.08617	5.1
85.02912	4.9
87.04470	0.7
91.05482	1.7
93.07052	1.8
94.38779	0.4
95.05006	0.9
95.08611	5.7
97.02892	100.0
97.06528	0.7
97.10176	12.0
98.03219	1.1
98.20708	1.0
99.04463	1.4
105.07043	2.0
107.04945	0.8
107.08576	6.0
109.06467	0.6
109.10160	1.2
111.04417	0.6
112.09037	0.5
115.03918	5.9
119.08595	1.7
121.10159	1.0
123.11718	0.6
125.09628	10.7
133.10144	1.0
135.11722	0.9
140.87355	0.5
143.10646	2.6
145.10144	1.3
147.04410	1.4
147.11739	0.9
149.41360	0.5
159.10301	0.6
159.11655	1.2
161.13326	0.5
173.13322	0.6
174.96959	0.6
203.10687	0.5
215.18004	0.7
218.54544	0.5
221.11755	1.5
257.13818	3.2
257.18927	0.6
263.07620	0.4
275.14932	5.3
275.20093	3.1
275.23318	1.0
285.47629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63316	16.6
56.96546	40.8
57.07071	22.4
64.01615	17.0
67.05495	22.4
69.03414	28.3
69.07072	21.1
69.96170	68.3
79.05504	25.7
89.73185	16.7
90.94922	17.5
91.05467	27.4
95.08585	21.4
95.80354	17.1
97.02885	30.2
97.06514	28.9
98.20849	19.1
98.97610	100.0
99.47908	18.4
116.98602	77.2
118.08670	26.9
119.01875	41.1
119.08596	21.8
121.06467	20.6
127.03873	19.7
134.99684	36.8
145.10126	22.7
147.04433	51.9
154.23795	17.1
177.00706	71.3
195.01791	40.1
258.89200	19.2
274.27466	22.1
275.06531	51.2
275.19949	59.6
275.23605	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	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.4
56.96564	100.0
58.06593	6.3
67.05508	4.4
68.31905	4.4
69.03413	4.4
69.84223	12.2
69.84618	8.2
70.06591	8.9
70.98129	23.4
71.05000	4.5
72.08167	27.1
73.02888	8.0
73.08488	10.8
77.00877	4.9
81.03423	5.0
81.07027	6.4
84.04502	8.2
84.08144	29.5
85.02909	13.2
85.06555	4.8
86.09717	8.0
87.04450	4.9
88.99149	15.6
95.04972	5.2
95.08617	7.5
96.57491	4.7
97.02862	4.6
98.97574	46.8
101.00881	17.3
102.05532	10.9
107.08558	3.7
108.04491	4.5
110.97541	6.8
111.05597	4.4
112.05118	3.6
113.05981	12.5
113.07142	10.2
116.98611	44.9
117.03991	8.0
119.01917	99.4
120.02101	3.7
121.03499	4.7
121.10062	4.9
123.11636	5.1
125.07137	29.8
127.03889	5.5
128.98599	14.2
129.10249	7.8
131.01924	12.0
134.99658	30.7
137.02965	34.8
143.01875	4.7
145.03453	44.7
146.99612	22.3
147.01375	4.8
152.05638	5.1
157.03444	7.8
159.05084	22.9
161.01230	5.1
161.02971	11.7
163.02745	4.9
163.04517	16.2
165.00688	15.2
169.03517	11.2
172.15268	5.2
172.97571	17.2
173.02959	7.2
174.99118	33.8
175.04518	5.1
177.06094	14.7
183.01738	4.4
185.02994	13.4
187.04462	28.5
189.02451	13.7
189.04320	9.4
190.98621	73.4
193.00209	61.2
203.03999	21.2
205.05675	9.3
207.03554	7.7
208.99673	19.9
211.01250	6.9
213.02414	9.6
215.04089	7.1
216.01939	4.0
218.98160	18.4
221.05138	7.2
223.01228	5.7
229.05710	5.2
231.03471	18.1
232.96275	4.5
232.99625	35.9
236.99294	7.6
247.06546	5.5
251.00710	25.9
257.11301	5.3
257.14877	4.9
274.27426	6.3
274.97528	39.8
275.02512	6.8
275.06027	21.4
275.11029	32.6
275.16223	5.8
275.19568	7.6
275.23685	5.7
292.98474	28.1
293.10574	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	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.26319	1.7
55.05514	15.7
57.07063	5.7
57.41212	2.2
67.05504	22.2
69.06721	2.7
69.07067	33.8
69.98861	8.4
71.08617	2.2
79.05486	14.6
81.07055	66.4
83.08617	15.3
91.05482	6.8
93.06480	2.5
93.07043	31.5
95.08607	68.4
97.10147	10.1
104.26374	1.9
105.07035	24.2
107.08592	47.1
109.10156	52.9
109.10919	2.6
110.08441	1.6
111.11688	4.2
119.08556	15.8
121.10130	34.5
123.11703	39.1
131.08525	1.9
131.77328	1.9
133.10110	12.7
135.11691	24.5
137.13274	9.8
147.04419	2.6
147.11700	16.7
149.13257	43.7
151.14827	5.4
153.01823	7.2
154.32547	1.8
161.13248	21.8
163.14812	29.6
165.16403	2.6
175.14911	11.4
177.16350	15.2
186.12535	1.8
189.16370	15.0
191.17964	9.3
203.17958	13.3
217.19502	23.5
231.21027	2.7
273.07571	3.0
273.25766	100.0
274.26022	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03932	3.4
54.93036	1.9
55.05505	18.5
57.03435	3.1
57.07057	9.0
67.05502	22.6
69.03413	6.2
69.07066	41.8
70.33974	9.0
71.04982	3.6
79.05488	14.1
81.03402	7.6
81.07056	69.1
83.04976	23.5
83.08640	11.1
85.02904	16.2
91.05463	17.1
93.07046	24.6
95.04945	9.2
95.08607	60.1
97.02866	7.6
97.10142	8.0
99.04456	4.3
101.02351	2.2
105.07024	30.2
107.04945	3.1
107.08591	40.4
108.83092	2.1
109.02868	4.4
109.06509	4.0
109.10147	40.5
111.04412	10.7
111.11693	2.6
117.06974	10.0
119.04948	4.3
119.08577	37.1
121.06520	3.1
121.09322	2.7
121.10142	33.2
123.04401	4.3
123.11708	32.5
126.90646	2.5
127.03887	6.0
128.06187	2.6
129.06960	4.7
131.08540	13.7
133.06464	6.1
133.10123	26.5
135.08064	2.6
135.11678	29.1
137.05907	2.0
137.13249	27.0
143.08548	8.8
145.10098	12.3
147.04382	12.3
147.08034	2.6
147.11682	19.3
149.05971	3.0
149.09552	2.6
149.13229	20.4
151.07532	2.4
151.14818	5.0
152.06114	2.5
153.01855	20.5
153.07025	4.4
154.07738	2.7
155.08563	4.4
156.09384	3.1
157.04922	5.6
157.10107	10.6
159.07970	2.3
159.11693	8.0
161.13232	19.5
163.14862	15.0
167.08578	2.9
169.04886	2.4
169.10115	5.7
170.10947	2.8
171.11726	6.9
173.09641	6.0
173.13248	3.6
175.11285	3.4
175.14850	10.9
177.16367	11.9
181.06459	2.6
181.10071	2.2
185.13293	3.3
187.14870	2.8
189.05400	19.1
189.12729	3.3
189.16362	19.0
191.17923	15.1
195.11633	2.4
197.13245	7.3
199.11107	5.2
203.18004	13.8
211.14760	7.7
213.16333	10.4
217.19542	19.0
227.03291	2.8
227.14255	3.3
227.17938	2.4
228.83150	2.0
231.17451	2.8
231.21057	4.4
241.08522	3.2
255.17415	14.9
273.03925	26.6
273.07520	25.2
273.10883	5.7
273.15439	2.7
273.18533	47.3
273.22781	3.5
273.25748	100.0
274.04318	3.0
274.18945	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05512	15.0
57.07073	7.1
65.03913	2.6
67.05497	14.4
69.07069	50.9
70.89336	3.2
79.05493	8.3
81.06579	2.7
81.07056	52.8
83.08616	14.7
91.05499	9.9
93.07042	24.6
93.69149	1.6
95.04985	1.7
95.08603	54.8
97.10153	9.3
105.07010	14.5
107.07871	2.0
107.08591	41.7
109.10143	38.3
111.11703	13.0
119.04932	5.7
119.08572	15.3
121.10133	41.2
123.11713	22.2
125.13286	1.5
133.10120	11.5
135.11687	24.4
137.13269	7.8
137.49654	1.4
145.10098	2.0
147.04398	7.0
147.11687	10.8
149.13254	37.8
151.14806	1.9
153.01823	28.1
159.11661	2.3
161.13260	16.0
163.14819	58.7
163.55144	1.5
171.11746	2.1
173.13295	2.5
174.14134	1.4
175.14803	9.6
177.16374	26.0
189.16354	11.1
191.17931	18.1
203.17947	18.3
217.19476	16.6
233.17642	1.5
253.53221	1.5
255.21034	2.1
273.07553	4.2
273.25757	100.0
274.25888	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05516	16.2
55.55278	1.6
56.82830	1.6
57.07076	8.3
61.26932	1.5
65.03933	1.8
67.05505	20.3
67.50263	1.4
69.07072	40.0
71.05019	1.6
71.08635	1.7
71.58940	1.4
71.59387	2.4
79.05489	11.1
81.07060	46.9
83.08626	12.7
86.76488	1.6
91.05500	9.9
93.07037	24.5
95.08607	66.3
97.10171	8.3
105.07024	18.4
107.08601	48.1
107.09164	0.9
109.10161	43.8
111.11738	9.9
117.07020	3.8
119.04948	2.4
119.08577	22.1
121.10143	33.7
121.11015	2.2
123.11708	25.7
125.13286	2.2
129.06996	2.3
131.08577	5.8
133.10136	16.0
135.11693	21.2
137.13263	10.4
143.08607	5.5
145.10146	6.5
147.04425	6.1
147.11726	10.9
149.13264	46.5
151.14830	2.3
153.01831	13.8
156.04237	6.6
157.10158	8.5
159.11671	8.2
161.13286	10.3
163.14832	59.6
163.57266	1.7
165.16411	2.1
171.11711	7.3
173.13277	3.9
175.14828	14.2
177.16396	19.2
185.13313	4.4
187.14890	2.5
189.16379	7.5
191.17999	10.7
197.13435	1.8
199.14825	3.0
201.16467	2.0
203.17966	14.0
211.14813	2.9
213.16298	8.2
215.18027	2.3
217.12260	2.4
217.19621	11.8
227.18001	4.4
229.19482	1.8
231.21045	2.3
245.22699	7.5
255.17400	6.2
255.21060	10.7
273.07565	12.6
273.18530	27.7
273.22211	31.0
273.25793	100.0
274.27469	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	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05312	1.2
55.05510	14.4
57.07052	5.9
67.05505	11.2
69.06715	2.1
69.07063	26.3
70.02174	2.7
70.02571	5.2
71.08605	1.3
72.78294	1.5
79.05489	6.9
79.65723	1.2
81.07053	36.7
83.08614	13.3
91.05460	5.1
93.07042	20.3
95.08605	58.6
97.10162	12.4
105.07023	10.2
107.08593	40.2
109.10154	47.3
111.11732	9.3
119.04940	1.7
119.08582	11.8
121.10143	48.8
123.11693	25.2
133.10139	12.2
135.11687	26.5
137.13257	9.8
147.11670	6.8
149.13255	23.3
151.14809	5.0
153.01828	4.2
153.50322	1.4
158.04141	1.3
161.13266	7.5
163.14816	37.4
165.16376	3.8
165.43150	1.6
175.14838	8.7
177.16399	30.9
189.16371	13.1
191.17917	10.6
203.17961	17.2
217.19461	12.0
231.21045	2.2
255.20863	1.7
273.25760	100.0
274.25980	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03955	1.2
55.05508	14.5
57.03449	1.4
57.07077	9.5
60.70351	1.1
67.05179	1.3
67.05507	18.9
69.03413	3.2
69.07067	42.2
70.25151	4.7
71.01351	1.2
71.08625	2.7
79.05495	7.7
81.03397	3.9
81.07056	68.9
83.04981	7.5
83.08624	14.9
85.02902	4.7
91.05473	10.3
93.06483	1.4
93.07049	23.9
95.04973	2.7
95.08606	59.4
97.02867	4.3
97.10169	7.6
101.06052	1.2
105.07028	21.1
107.04942	1.8
107.08591	36.9
109.02872	1.1
109.06511	1.9
109.10159	45.1
111.04434	4.1
111.11736	3.3
115.05494	1.1
117.07008	2.2
117.78025	1.3
119.07792	2.1
119.08580	28.5
121.06499	1.0
121.10141	36.7
123.04407	1.5
123.11707	35.3
125.13408	1.0
127.03896	3.2
129.06941	1.2
129.18803	1.1
131.08546	3.8
133.10136	22.8
135.11685	29.7
137.13248	21.0
143.08574	1.4
145.10120	5.1
147.04427	3.2
147.11682	15.8
149.06081	1.3
149.12189	1.6
149.13277	20.9
151.14783	6.1
153.01843	5.6
156.04262	1.6
157.10118	2.2
159.11679	3.2
161.13246	20.5
163.14833	15.4
165.16408	3.2
169.04915	1.2
169.10187	1.2
171.11638	1.7
175.14844	11.5
177.16359	9.5
181.06438	1.6
183.06366	1.2
187.05992	3.4
189.05432	5.3
189.16367	18.3
191.17963	14.1
203.17955	13.7
205.19551	1.4
213.16394	1.9
217.19492	19.9
231.21101	4.8
241.08574	1.6
245.22867	1.2
255.17447	2.6
273.03992	4.5
273.07562	5.6
273.10858	1.9
273.18655	6.9
273.25757	100.0
274.11008	1.1
276.96396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.05508	14.5
57.03449	1.4
57.07077	9.5
60.70351	1.1
67.05179	1.3
67.05507	18.9
69.03413	3.2
69.07067	42.2
70.25151	4.7
71.01351	1.2
71.08625	2.7
79.05495	7.7
81.03397	3.9
81.07056	68.9
83.04981	7.5
83.08624	14.9
85.02902	4.7
91.05473	10.3
93.06483	1.4
93.07049	23.9
95.04973	2.7
95.08606	59.4
97.02867	4.3
97.10169	7.6
101.06052	1.2
105.07028	21.1
107.04942	1.8
107.08591	36.9
109.02872	1.1
109.06511	1.9
109.10159	45.1
111.04434	4.1
111.11736	3.3
115.05494	1.1
117.07008	2.2
117.78025	1.3
119.07792	2.1
119.08580	28.5
121.06499	1.0
121.10141	36.7
123.04407	1.5
123.11707	35.3
125.13408	1.0
127.03896	3.2
129.06941	1.2
129.18803	1.1
131.08546	3.8
133.10136	22.8
135.11685	29.7
137.13248	21.0
143.08574	1.4
145.10120	5.1
147.04427	3.2
147.11682	15.8
149.06081	1.3
149.12189	1.6
149.13277	20.9
151.14783	6.1
153.01843	5.6
156.04262	1.6
157.10118	2.2
159.11679	3.2
161.13246	20.5
163.14833	15.4
165.16408	3.2
169.04915	1.2
169.10187	1.2
171.11638	1.7
175.14844	11.5
177.16359	9.5
181.06438	1.6
183.06366	1.2
187.05992	3.4
189.05432	5.3
189.16367	18.3
191.17963	14.1
203.17955	13.7
205.19551	1.4
213.16394	1.9
217.19492	19.9
231.21101	4.8
241.08574	1.6
245.22867	1.2
255.17447	2.6
273.03992	4.5
273.07562	5.6
273.10858	1.9
273.18655	6.9
273.25757	100.0
274.11008	1.1
276.96396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
54.93036	1.9
55.05505	18.5
57.03435	3.1
57.07057	9.0
67.05502	22.6
69.03413	6.2
69.07066	41.8
70.33974	9.0
71.04982	3.6
79.05488	14.1
81.03402	7.6
81.07056	69.1
83.04976	23.5
83.08640	11.1
85.02904	16.2
91.05463	17.1
93.07046	24.6
95.04945	9.2
95.08607	60.1
97.02866	7.6
97.10142	8.0
99.04456	4.3
101.02351	2.2
105.07024	30.2
107.04945	3.1
107.08591	40.4
108.83092	2.1
109.02868	4.4
109.06509	4.0
109.10147	40.5
111.04412	10.7
111.11693	2.6
117.06974	10.0
119.04948	4.3
119.08577	37.1
121.06520	3.1
121.09322	2.7
121.10142	33.2
123.04401	4.3
123.11708	32.5
126.90646	2.5
127.03887	6.0
128.06187	2.6
129.06960	4.7
131.08540	13.7
133.06464	6.1
133.10123	26.5
135.08064	2.6
135.11678	29.1
137.05907	2.0
137.13249	27.0
143.08548	8.8
145.10098	12.3
147.04382	12.3
147.08034	2.6
147.11682	19.3
149.05971	3.0
149.09552	2.6
149.13229	20.4
151.07532	2.4
151.14818	5.0
152.06114	2.5
153.01855	20.5
153.07025	4.4
154.07738	2.7
155.08563	4.4
156.09384	3.1
157.04922	5.6
157.10107	10.6
159.07970	2.3
159.11693	8.0
161.13232	19.5
163.14862	15.0
167.08578	2.9
169.04886	2.4
169.10115	5.7
170.10947	2.8
171.11726	6.9
173.09641	6.0
173.13248	3.6
175.11285	3.4
175.14850	10.9
177.16367	11.9
181.06459	2.6
181.10071	2.2
185.13293	3.3
187.14870	2.8
189.05400	19.1
189.12729	3.3
189.16362	19.0
191.17923	15.1
195.11633	2.4
197.13245	7.3
199.11107	5.2
203.18004	13.8
211.14760	7.7
213.16333	10.4
217.19542	19.0
227.03291	2.8
227.14255	3.3
227.17938	2.4
228.83150	2.0
231.17451	2.8
231.21057	4.4
241.08522	3.2
255.17415	14.9
273.03925	26.6
273.07520	25.2
273.10883	5.7
273.15439	2.7
273.18533	47.3
273.22781	3.5
273.25748	100.0
274.04318	3.0
274.18945	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05270	1.5
55.05510	16.9
57.07056	3.6
67.05514	16.3
67.10166	1.6
69.07068	36.1
70.92039	3.7
71.08623	2.5
79.05494	9.4
81.06585	2.6
81.07056	45.5
83.08623	16.6
91.05485	6.8
93.07046	28.9
95.08607	64.8
97.10187	10.7
105.07027	14.0
106.22801	1.3
107.08598	49.0
109.10156	57.0
111.11712	10.2
119.08584	17.8
121.10149	51.5
123.11706	23.3
133.10112	14.7
135.11696	32.8
137.13280	9.9
147.11707	8.4
149.13258	45.3
151.14806	3.9
153.01854	3.2
161.13283	9.9
163.14830	54.7
164.15144	1.5
165.16298	3.4
175.14845	7.7
177.16388	27.9
179.17860	1.4
189.16371	12.9
191.17937	15.9
203.17967	17.0
217.19495	11.5
231.21034	3.3
273.22742	3.2
273.25763	100.0
279.40494	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2213
Annotation	3-Oxo-delta5-steroid
Peak:m/z	Relative Intensity
50.66623	0.6
53.03933	1.4
55.05512	9.6
55.50313	0.7
57.03431	1.1
57.07084	4.8
62.19178	1.0
67.05510	10.8
67.25401	0.7
69.03416	1.4
69.06722	1.1
69.07070	15.2
69.84560	4.5
79.05489	6.5
79.54737	0.7
81.07057	20.4
83.04952	1.5
83.08618	8.8
85.06526	2.9
91.05485	6.1
93.07047	15.3
95.04975	4.8
95.07989	1.6
95.08609	32.2
97.06532	12.6
97.10167	4.6
98.21471	1.5
99.08083	2.1
102.77456	0.7
105.07029	16.9
107.04917	0.7
107.08597	36.3
108.08910	0.7
109.06535	2.7
109.10161	22.0
110.46201	0.7
111.08108	5.0
111.11694	0.9
113.09616	0.8
115.05497	1.2
117.07005	2.7
119.08585	30.1
121.06521	2.7
121.10150	23.2
123.08068	4.9
123.11716	14.1
123.34039	0.7
125.09625	1.4
128.06186	0.8
129.07021	2.5
131.08563	8.0
133.10136	24.5
135.08061	6.4
135.11696	13.9
137.09639	6.7
137.13249	5.0
142.07814	1.6
143.08572	6.7
144.09349	1.2
145.10110	12.6
147.04408	1.0
147.08008	1.2
147.10536	0.7
147.11697	14.2
149.09610	3.2
149.13234	8.5
151.11171	1.9
151.14835	0.7
153.01845	2.4
156.04230	1.2
156.09326	2.3
157.10146	11.9
158.10899	1.4
159.11696	20.9
161.09631	2.3
161.13266	17.9
162.30452	0.7
163.11208	4.6
163.14804	4.5
164.75444	0.7
165.12762	2.7
169.10143	1.0
170.10912	1.7
171.11714	13.2
172.12508	0.9
173.13280	14.2
175.11177	5.2
175.14827	14.9
176.15579	3.0
177.12740	5.7
177.16368	8.0
178.57375	0.7
184.12460	1.0
185.13271	10.0
186.14012	0.8
187.14839	9.7
189.12720	6.5
189.16370	8.6
191.14334	2.9
197.13243	0.9
199.14815	11.6
200.15695	0.9
201.16402	13.6
203.14313	5.9
205.15845	1.6
213.16374	7.9
215.17979	5.3
216.22075	0.7
217.15895	5.7
217.19524	0.7
227.17870	3.2
229.19513	11.6
231.17503	2.1
231.21049	3.1
245.19080	3.7
245.22630	6.9
248.32291	0.7
251.69412	0.7
255.21089	42.2
256.21622	1.4
258.14182	0.7
273.07574	1.6
273.18762	5.2
273.22128	100.0
274.22488	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2213
Annotation	3-Oxo-delta4-steroid
Peak:m/z	Relative Intensity
55.04483	1.3
55.05513	11.2
55.05736	2.3
57.03418	2.4
57.07062	3.8
58.48861	1.4
61.98768	1.5
67.05505	11.2
69.07064	17.6
69.62569	3.4
69.62972	8.6
78.54744	1.5
78.84608	1.6
79.05473	8.1
81.07057	22.0
83.08624	8.3
85.06569	2.0
91.05473	8.6
93.07046	17.7
93.59604	1.7
95.04939	4.9
95.08052	2.4
95.08612	33.2
97.06528	10.5
97.10136	4.6
105.07024	16.1
107.08595	41.3
109.06524	1.7
109.09476	2.0
109.10162	26.0
111.08055	4.8
117.07014	2.9
119.08588	27.2
121.09323	1.9
121.10149	27.6
123.08039	5.1
123.11719	11.9
125.09507	1.7
129.06940	2.9
129.80557	1.5
131.08562	9.5
133.10136	26.4
135.08026	5.2
135.11681	15.5
137.09578	5.2
137.13174	3.9
142.07820	2.0
143.08549	5.2
144.09352	2.3
145.10143	13.3
147.04449	7.5
147.11687	16.2
149.02698	1.6
149.09599	3.0
149.13226	12.8
153.01848	16.9
156.09258	2.0
157.10121	11.1
159.11691	17.5
161.09621	2.0
161.13274	15.0
163.11166	6.2
163.14825	7.9
165.12808	2.7
170.10918	1.6
171.11682	13.3
172.12231	2.0
173.13258	15.9
175.11172	3.9
175.14786	15.2
176.15576	1.6
177.12663	4.2
177.16364	9.0
179.14288	1.4
180.71962	1.6
185.13280	9.7
187.14854	10.4
189.12714	4.5
189.16365	8.6
191.14240	2.8
196.63516	1.7
199.14833	11.3
201.16417	11.3
203.14311	4.8
203.17952	2.7
205.15833	2.2
213.16434	7.9
215.17924	6.6
215.93555	1.6
217.15892	3.7
217.19359	2.3
227.17955	5.1
229.19563	8.3
231.17397	2.2
231.21118	3.2
245.22527	5.3
255.17381	2.5
255.18054	2.6
255.21075	33.2
273.07629	13.3
273.18555	15.6
273.22095	100.0
273.25443	4.1
274.22412	3.1
293.16254	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2212
Annotation	3-Oxo-delta5-steroid
Peak:m/z	Relative Intensity
52.61548	0.9
55.05510	10.1
56.96561	1.6
57.03416	1.4
57.07069	4.0
65.03929	0.9
67.05505	9.6
69.07069	14.4
71.04990	1.2
71.49026	1.3
77.79599	0.8
79.05494	7.3
81.07057	21.4
83.04974	2.2
83.08614	8.2
85.06548	1.1
88.07635	1.0
91.05485	9.7
93.07044	19.2
95.04996	1.9
95.08607	35.7
97.06550	1.2
97.10168	3.8
105.07034	20.1
107.08594	28.4
109.06497	2.6
109.10161	28.1
111.08101	1.1
111.11703	1.9
117.07001	4.0
119.04932	1.4
119.08582	27.5
121.06507	1.2
121.10148	20.0
123.08051	1.5
123.11716	11.9
128.06213	1.4
129.06998	4.0
130.07741	1.0
131.08577	9.8
133.10133	16.8
135.08044	2.5
135.11688	18.6
137.09595	1.3
137.13254	4.8
141.06950	1.5
142.07777	3.4
143.08565	13.2
144.09364	1.7
145.10132	16.2
147.04398	2.4
147.11693	17.0
149.13277	15.8
149.14400	1.8
151.14790	1.4
151.78296	0.8
153.01819	9.7
155.08543	1.8
156.04225	2.9
156.09413	4.9
157.10121	20.3
158.10902	1.4
159.11682	16.9
161.09595	2.0
161.13274	15.6
163.11171	3.3
163.14877	7.4
165.12724	1.7
170.10915	1.9
171.11707	19.0
173.13260	10.5
175.11209	3.3
175.14807	10.4
177.12811	2.1
177.16420	2.5
179.14293	1.2
181.10187	0.9
183.11726	2.2
183.58731	0.9
185.09801	1.1
185.13243	17.6
187.14813	3.7
187.27911	0.8
189.12721	2.2
189.16380	8.1
191.14279	1.0
191.17975	1.2
197.10146	1.4
197.13301	1.3
199.11215	2.4
199.14853	13.8
201.16400	3.0
203.14320	5.3
203.17955	3.2
205.11864	1.0
208.61006	1.7
211.14914	1.4
212.15680	1.1
213.16383	10.3
215.17969	4.4
217.12238	1.7
217.15916	5.0
217.19450	1.1
227.17949	13.2
229.19524	3.2
231.17459	2.1
237.02458	0.8
245.18892	1.3
245.22643	37.0
255.17491	2.8
255.21091	44.1
256.21475	1.1
273.07425	7.1
273.18646	9.4
273.22128	100.0
273.25540	5.5
274.22537	1.8
274.27338	5.0
274.75363	1.0
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	androstenone
Peak:m/z	Relative Intensity
53.03954	1.4
55.05512	7.8
57.03445	1.7
57.07074	2.9
67.05513	10.3
69.03431	1.1
69.07072	9.8
71.04989	2.4
71.61773	1.1
74.54193	1.2
79.05510	6.6
81.07065	16.1
81.07793	1.0
83.04994	2.1
83.08636	5.7
85.06541	2.8
89.79251	0.9
91.05471	8.3
93.07055	11.9
93.34164	1.0
95.04971	3.2
95.08609	26.9
97.06551	2.9
97.10175	3.3
103.05450	1.8
105.07028	19.5
107.08593	26.9
109.06532	2.6
109.10162	18.5
111.08081	1.8
111.11741	1.1
116.14271	1.0
117.07021	4.0
119.04953	1.0
119.08587	26.9
121.06530	1.2
121.10138	16.8
123.08045	3.1
123.11688	10.2
125.09647	1.5
129.07024	2.3
131.08577	11.1
133.10144	18.6
134.10492	1.1
135.08052	10.0
135.11694	9.2
137.09599	1.8
137.13257	3.2
142.05954	1.0
142.07758	2.9
143.08571	8.4
144.09338	2.1
145.10129	18.5
147.04437	3.6
147.08083	1.3
147.11696	14.1
149.09628	2.9
149.13289	5.5
153.01851	6.9
155.08595	1.0
156.04195	2.7
156.09331	3.8
157.10138	14.9
158.10893	2.9
159.11696	26.1
161.09575	1.4
161.13263	13.4
163.11177	3.6
163.14870	3.5
165.12799	3.2
170.10941	2.8
171.11702	18.8
173.11751	1.6
173.13263	28.0
174.14047	3.2
175.11201	1.9
175.14833	8.4
177.12740	5.1
177.16422	1.4
179.14285	1.1
183.11664	1.5
185.13269	11.6
186.13939	1.2
187.14842	5.2
189.12755	2.6
189.16371	3.4
191.14308	2.1
199.14845	14.3
201.16386	3.5
203.10786	1.9
203.14383	4.3
203.17963	3.2
211.14883	2.3
213.12883	1.0
213.16412	9.8
215.17969	9.5
217.12270	1.3
217.15950	2.6
218.96933	1.1
227.17938	14.6
228.18411	1.2
229.19560	4.2
231.17471	2.5
231.21088	1.6
245.19054	2.0
245.22685	5.5
255.17599	5.9
255.21094	39.6
256.21219	1.6
273.07693	6.0
273.18570	42.2
273.22153	100.0
274.18912	2.0
274.22534	2.2
274.27426	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2211
Annotation	3-Oxo-delta5-steroid
Peak:m/z	Relative Intensity
53.03942	1.3
55.05506	9.7
57.07071	4.9
67.05502	11.5
69.03455	1.3
69.07069	15.4
69.28129	4.5
69.28548	7.0
71.08608	1.0
76.65943	1.1
79.05502	9.0
81.07057	18.2
83.04976	1.7
83.08623	8.3
89.60453	1.0
91.05486	10.2
91.57268	1.1
93.07041	18.4
93.11494	0.9
95.04991	1.9
95.08607	35.2
97.06538	1.3
97.10193	4.9
103.05541	1.1
105.07030	20.8
105.07687	1.8
107.07865	2.0
107.08594	32.7
109.06544	2.3
109.10153	26.5
109.37697	0.9
111.08084	1.2
111.11737	1.8
114.24145	1.0
115.05448	1.1
117.07032	4.8
119.08592	24.6
121.10147	26.1
123.08083	2.3
123.11720	10.4
125.09661	1.0
128.06233	1.6
129.06998	5.1
131.08554	11.7
133.10135	18.9
135.08015	1.9
135.11691	18.9
137.09622	1.7
137.13275	3.6
142.07774	3.1
143.08572	14.7
144.09270	1.1
145.10114	19.0
147.04425	2.4
147.11679	17.9
149.09637	1.3
149.13266	13.3
151.11139	1.1
151.14816	2.0
153.01855	3.4
155.08493	1.4
156.04259	1.3
156.09355	5.9
157.10130	21.2
158.10883	1.4
159.11694	26.6
160.12500	1.2
161.09528	1.3
161.13258	16.0
163.11212	3.0
163.14796	6.2
169.10136	1.8
170.10948	4.1
171.11688	26.3
173.13245	14.2
175.07558	1.8
175.11240	2.6
175.14806	12.5
177.12767	2.6
177.16434	2.2
185.09671	1.9
185.13254	22.1
187.14806	10.8
188.93665	1.3
189.12770	3.1
189.16409	7.5
191.14369	1.4
197.13271	2.1
199.11201	2.2
199.14812	19.6
201.16449	4.1
203.10762	1.4
203.14319	4.1
203.18089	1.8
212.15572	1.8
213.12802	0.9
213.16412	14.0
215.18005	4.5
217.12201	1.7
217.15901	4.6
227.14404	1.2
227.17961	23.5
229.19504	4.4
231.13841	2.3
231.17514	2.4
245.22664	44.5
246.22893	1.2
255.17487	4.3
255.21088	49.5
273.07544	4.0
273.18542	44.7
273.22141	100.0
274.18982	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27958	1.0
55.05516	10.1
56.69746	1.0
57.03432	1.3
57.07069	4.2
67.05515	13.3
69.03432	1.5
69.07072	16.4
71.05000	1.5
71.08633	1.7
71.60947	1.7
76.17133	1.0
77.03825	0.9
78.54416	1.0
79.05489	9.1
81.07064	21.0
83.08615	9.8
86.74351	1.1
91.05495	10.9
93.07056	20.9
95.05005	2.5
95.08612	39.5
97.06544	2.0
97.10177	4.1
102.80326	1.0
105.07035	22.7
107.08598	29.6
108.05370	1.1
109.06527	2.4
109.10165	25.3
109.10914	1.5
111.08109	1.9
112.04679	1.2
117.06994	7.0
119.04909	1.6
119.08594	30.8
121.09315	1.8
121.10159	22.8
123.08129	1.5
123.11726	11.7
123.12582	1.8
128.06293	1.7
129.07056	5.1
131.08586	12.9
133.10138	18.7
135.11703	17.1
137.09631	1.7
137.13252	3.3
142.07779	5.5
143.08568	12.5
144.09381	2.9
145.10136	20.3
147.04451	3.3
147.11699	16.4
149.13274	13.8
150.07767	1.0
151.14864	1.4
153.01820	7.1
156.04245	12.2
156.09357	5.3
157.10138	22.8
159.11703	23.6
160.12483	1.3
161.09637	1.1
161.13292	16.0
163.11241	3.1
163.14828	8.6
169.10152	1.9
170.11009	2.0
171.11708	25.2
173.13280	16.6
175.11295	1.5
175.14810	11.5
177.12686	1.7
177.16357	2.3
181.10245	1.2
183.11757	1.7
184.12515	2.4
185.09575	1.3
185.13266	19.7
186.13945	1.8
187.14847	10.2
189.12791	3.6
189.16393	6.0
191.14316	1.3
197.13359	2.1
199.11211	3.1
199.14822	15.4
201.16423	4.4
203.10750	1.5
203.14346	4.6
203.18027	3.6
211.14861	3.0
212.15634	1.5
213.12750	3.0
213.16389	14.3
215.18039	4.9
217.12279	3.3
217.15894	3.7
227.17953	22.6
229.19521	3.9
231.13855	2.6
237.16449	1.7
245.22658	41.2
255.17451	4.4
255.21100	47.8
273.07443	5.7
273.18564	47.8
273.22177	100.0
274.22525	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.19934	1.3
53.03938	2.0
53.54968	1.4
53.86736	1.6
55.01871	1.8
55.05507	9.2
57.03456	2.1
57.07071	2.9
57.71135	1.5
65.03947	1.5
67.05514	9.6
69.03430	7.2
69.07066	12.8
69.86155	10.7
71.04992	3.5
71.08632	1.7
79.05492	10.8
81.03429	2.8
81.07061	19.3
83.04986	31.9
83.08611	4.9
85.02911	7.3
91.05490	13.4
93.07051	15.4
95.04960	4.3
95.08613	20.1
97.02879	4.4
97.10126	1.6
98.21512	1.7
99.04446	3.2
99.08070	1.7
105.07036	29.2
107.08603	17.6
109.06528	12.1
109.10176	9.9
111.04446	12.4
115.05492	2.4
116.98592	2.0
117.07025	6.3
119.04952	4.2
119.08585	25.5
121.06529	3.3
121.10145	21.5
123.04411	4.4
123.08057	1.8
123.11684	5.2
127.03920	6.0
128.06218	4.3
129.05499	2.6
129.06990	9.0
131.08588	11.4
133.06505	10.9
133.10141	12.5
135.08064	6.8
135.11691	6.8
137.06084	1.7
137.09680	1.9
137.13251	4.1
141.06966	4.7
142.07742	4.9
143.08580	20.0
144.09300	3.6
145.10127	20.7
147.04410	9.4
147.08064	2.9
147.11710	8.9
149.06026	2.7
149.09639	2.3
149.13278	6.4
153.01830	20.1
153.06992	7.0
155.08511	8.7
156.09343	9.1
157.06433	1.9
157.10138	20.2
158.10909	1.8
159.11690	9.6
161.09645	6.6
161.13283	3.0
163.14848	5.5
165.16330	1.6
167.08592	7.0
167.10666	2.0
168.09367	3.3
169.10121	15.0
170.10866	4.4
171.08089	3.7
171.11708	18.7
172.12486	2.6
173.09625	12.7
173.13240	7.1
175.11221	7.3
175.14854	3.8
181.06508	5.7
181.10106	4.8
182.10956	5.8
183.11725	8.5
185.09636	4.3
185.13295	5.4
187.11180	2.9
187.14859	2.1
189.05455	5.1
189.12753	8.5
189.16417	3.5
194.10892	2.1
195.07991	1.7
195.11806	7.2
196.12511	4.9
197.13268	22.5
198.14041	2.5
199.11153	16.2
199.14857	2.8
207.11707	3.6
209.13295	3.4
211.14816	18.4
212.15617	7.0
213.09190	5.3
213.12782	10.6
213.16357	21.1
215.14310	5.5
217.12274	3.9
217.19531	2.6
222.14125	3.3
227.14301	6.6
227.18002	4.4
229.15900	7.1
230.16815	1.8
231.17497	2.3
237.16389	6.7
240.15167	4.9
241.08655	1.8
255.08643	5.0
255.17467	53.6
270.81503	1.7
273.07416	14.2
273.11206	5.2
273.15421	3.7
273.18512	100.0
273.21832	5.6
273.25745	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03937	2.2
55.01864	2.1
55.05299	1.1
55.05512	12.5
56.96548	3.2
57.07079	8.3
58.43811	1.0
59.04965	1.3
65.03928	1.5
65.98416	0.9
67.05173	1.2
67.05506	17.4
68.05715	0.9
69.03423	4.0
69.07072	26.3
70.39777	1.0
71.04988	1.8
71.08624	2.8
71.59454	1.5
78.66335	0.9
79.05132	1.4
79.05502	13.5
81.03402	1.8
81.07063	38.5
83.04993	9.8
83.08624	10.9
85.02911	1.7
85.06547	2.9
91.05486	19.7
93.07048	29.8
94.86079	1.1
95.04971	6.6
95.08609	41.5
97.02888	3.1
97.06530	1.6
97.10158	5.8
98.97599	11.6
102.67265	1.1
103.05486	1.2
105.07036	33.4
107.04928	1.3
107.08601	31.3
109.06526	15.7
109.10161	25.6
111.04443	3.6
111.08079	2.4
111.11729	2.1
115.25163	0.9
116.98627	7.5
117.07008	5.4
119.04954	5.2
119.07795	2.0
119.08586	28.9
121.06507	1.8
121.10155	31.8
123.04396	1.8
123.08070	4.6
123.11711	10.9
125.09633	1.0
128.06218	3.4
129.07010	6.8
130.07809	2.6
131.08568	12.4
133.06509	11.1
133.10133	18.5
133.55800	1.0
134.99635	3.3
135.08040	6.6
135.11693	18.8
137.09627	1.7
137.13260	6.5
139.11232	1.1
140.00220	1.2
141.06984	5.0
142.07805	5.8
143.08568	13.7
144.09344	2.3
145.06447	1.4
145.10126	14.7
147.04425	13.0
147.08051	2.9
147.11693	18.2
149.09621	6.7
149.13252	16.2
151.14796	1.5
153.01836	32.4
154.02020	1.2
154.07747	1.3
155.08548	10.5
156.09344	9.1
157.10146	24.8
158.10992	1.4
158.99686	4.3
159.08075	4.3
159.11687	9.9
161.09651	5.0
161.13266	7.0
163.11179	1.2
163.14816	10.4
165.06979	2.9
165.16391	1.4
166.07764	1.4
167.08565	5.3
167.10632	2.7
168.09361	1.8
169.10143	14.9
170.07280	1.1
170.10878	4.2
171.02946	1.3
171.11705	24.1
173.09630	12.9
173.13214	6.8
174.10393	1.0
175.11266	6.2
175.14833	5.6
177.00717	6.6
177.16412	7.7
179.08604	1.0
180.09346	1.9
181.06451	1.5
181.10092	6.2
182.10941	7.1
183.11707	9.8
184.08734	1.5
184.12393	1.7
185.09653	4.4
185.13234	8.6
186.14078	1.4
187.11188	3.5
187.14827	3.9
189.05513	3.6
189.12750	13.9
189.16408	4.6
191.17929	3.5
192.12738	1.4
193.10146	2.5
194.10873	1.5
195.11670	8.3
196.12462	4.4
197.13277	31.9
198.14066	4.1
199.11212	14.2
199.14818	2.5
200.02299	1.2
203.17934	6.3
204.12691	1.2
207.11665	2.8
208.12492	1.6
209.13289	3.7
211.14871	12.0
212.15581	9.8
213.12929	4.8
213.16386	22.6
214.13611	1.9
215.14394	7.5
217.12201	4.9
217.19572	6.9
219.01682	1.6
222.14032	2.7
225.12698	2.9
226.13481	1.7
227.14383	8.4
227.17920	2.5
229.15871	6.7
230.16628	2.5
231.17516	6.0
231.21083	2.0
237.16386	5.8
240.15135	3.9
255.17461	50.8
264.14844	2.7
273.07571	26.7
273.15497	3.9
273.18503	100.0
273.25772	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03938	1.8
55.05511	5.6
56.96568	0.7
57.07068	2.4
61.10726	0.7
64.77946	0.7
65.03947	1.2
65.35199	0.6
67.05507	9.1
68.88934	0.6
68.92749	0.7
69.03432	0.9
69.07069	11.0
70.77332	1.7
70.83107	0.6
71.04997	0.9
71.08636	0.9
73.06554	1.6
79.05067	1.1
79.05495	8.0
81.07059	12.2
83.04983	1.0
83.08617	4.5
85.06555	1.8
91.05477	10.4
93.07053	16.1
95.04961	2.8
95.08044	1.2
95.08608	16.2
97.06506	1.0
97.10159	0.7
103.05471	0.8
103.24453	0.7
105.07038	23.1
105.07764	1.1
107.04967	2.0
107.08597	22.2
109.06532	2.1
109.10152	10.2
111.04439	2.5
113.06012	1.2
115.05400	0.9
117.07004	5.9
119.04952	1.6
119.08585	23.9
121.06498	1.9
121.10149	24.5
123.08041	2.2
123.11710	4.2
125.05966	1.2
128.06209	2.8
129.07005	6.4
130.07785	2.0
131.08577	12.6
133.06483	2.0
133.10133	16.7
135.08031	1.5
135.11705	9.9
137.13237	0.7
139.07561	1.7
141.06949	2.3
142.07765	4.5
143.08566	13.6
144.09290	2.2
145.06505	1.6
145.10124	25.3
147.04379	1.2
147.08049	3.8
147.11700	8.5
149.05934	1.5
149.09628	1.3
149.13242	3.2
151.07509	4.0
153.01834	1.9
155.08571	3.8
156.04311	0.8
156.09341	5.0
157.06494	0.8
157.10135	24.3
158.10895	2.0
159.08057	1.0
159.11707	17.4
161.09637	3.5
161.13258	5.5
163.07574	3.9
163.11217	1.5
163.14853	1.1
165.07086	1.0
165.09100	3.8
167.08595	1.3
169.10120	3.6
170.10918	2.1
171.08022	2.8
171.11702	24.2
172.12456	1.0
173.09631	1.6
173.13260	18.6
175.07622	1.4
175.11183	3.1
175.14856	8.4
176.11945	1.2
177.09140	1.6
177.16376	0.7
179.10703	2.2
181.06602	0.9
181.10135	1.5
183.11728	1.5
184.12444	1.9
185.09689	5.1
185.13252	11.5
186.10353	1.4
186.14017	2.1
187.11200	3.2
187.14813	4.3
189.09169	2.1
189.12898	0.8
189.16464	1.6
191.10686	2.6
193.12225	0.8
195.11688	1.5
199.11200	8.6
199.14835	4.6
200.12000	1.0
201.12515	0.8
201.16414	1.1
203.10692	6.1
205.12183	1.9
209.13206	1.0
211.11337	0.9
211.14824	4.4
212.15565	1.0
213.09235	1.2
213.12924	5.8
213.16380	23.0
217.12274	9.2
217.19521	0.9
227.14279	2.5
227.17947	15.4
229.19524	3.2
231.13931	3.5
237.16406	2.9
240.14999	1.0
245.15337	1.2
245.18861	1.7
246.98058	0.8
255.17447	32.7
273.07803	1.6
273.08270	1.2
273.14963	12.5
273.18488	100.0
273.25790	4.2
274.18835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05501	5.0
57.07063	2.1
57.71849	1.7
65.03926	1.2
67.05513	6.1
69.03442	2.2
69.07056	3.9
69.99368	6.1
71.04984	5.7
78.51192	1.1
79.05480	5.7
81.07035	8.3
83.04982	6.2
83.08612	2.3
85.02915	2.4
85.06532	4.3
88.03407	1.2
90.07171	1.5
91.05485	7.7
93.07041	9.5
95.04965	22.1
95.08592	6.9
97.06505	2.1
98.21463	1.4
99.08081	1.7
105.07027	17.9
107.08611	11.8
109.06511	28.0
109.10165	6.1
111.04425	2.4
111.08105	3.1
117.07013	5.4
119.08584	21.4
121.06492	1.8
121.10159	8.6
123.08075	18.1
123.11716	3.0
125.09624	1.6
128.06247	2.0
129.06975	4.1
130.07764	2.1
131.08568	13.3
133.10146	10.6
135.08066	7.0
135.11642	2.4
137.09618	9.7
141.07039	1.5
142.07729	6.8
143.08571	13.2
144.09389	2.1
145.10123	32.4
145.11292	1.9
147.04393	2.6
147.08044	5.6
147.11678	15.8
149.09586	1.8
151.07462	1.4
151.11203	4.6
153.01811	4.3
155.08569	4.1
156.09337	8.9
157.10139	23.9
158.10880	4.1
159.08029	3.4
159.11690	15.4
161.09610	4.9
161.13272	3.8
163.11217	2.9
164.36948	1.2
165.07033	1.8
165.09108	1.4
167.08551	2.0
169.10083	6.1
170.10889	4.0
171.11703	21.0
172.12468	3.0
173.09624	10.2
173.13261	22.0
174.10422	3.1
175.11171	9.5
181.10080	2.7
182.10919	4.8
183.11665	2.1
185.09680	2.0
185.13269	9.1
187.11147	14.6
187.14790	6.3
189.12723	15.8
189.16412	1.9
193.09840	1.4
195.11679	2.6
196.12462	2.6
197.13231	11.8
199.11151	13.2
199.14883	1.5
200.11900	2.5
201.12750	1.7
203.14285	3.7
207.11646	1.9
211.14928	6.1
212.15535	2.1
213.12766	5.8
213.16357	14.5
214.13446	2.1
215.14314	33.5
217.12225	9.3
224.68169	1.6
225.12787	2.5
227.17935	3.5
229.15871	3.5
231.17381	13.8
237.16373	4.3
240.15051	2.5
243.13908	1.6
255.17476	30.8
273.07504	1.9
273.18494	100.0
274.18719	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01863	1.1
55.05514	6.9
57.07065	1.4
67.05219	0.7
67.05515	7.7
69.07070	11.2
69.69590	4.3
71.04984	0.8
79.05494	6.9
81.07059	10.4
83.04981	1.5
83.08617	5.0
89.15290	0.7
91.05477	8.7
93.06467	1.0
93.07050	14.9
95.04977	1.9
95.08614	12.4
97.06521	0.8
97.10169	1.7
98.15276	0.8
103.05462	1.4
105.07037	31.1
107.04962	1.3
107.08600	15.8
109.06514	2.6
109.10167	8.2
111.04459	7.6
115.05454	1.1
115.93298	0.7
117.07022	5.0
119.04964	1.0
119.08587	26.1
121.06484	0.8
121.10149	11.3
123.08096	1.0
123.11695	2.8
125.06010	1.8
128.06227	1.9
129.07005	6.3
130.07776	1.0
131.08574	15.2
133.06503	2.6
133.10136	12.1
135.11699	9.4
137.05968	1.1
141.07008	1.2
142.06813	0.9
142.07784	5.7
143.08574	20.8
144.09280	2.4
145.10132	22.5
147.04338	0.8
147.08055	7.5
147.11714	7.8
149.13242	1.4
151.07524	3.5
153.01917	1.3
153.07022	0.8
155.08559	43.2
156.09393	5.0
157.10139	40.1
158.10898	2.3
158.31166	0.6
159.08049	1.1
159.11700	38.8
160.12257	1.0
161.09605	3.5
161.13269	9.0
162.10402	1.8
163.07616	1.7
163.14830	2.8
165.09081	4.2
166.07729	0.7
167.08531	1.4
169.10159	6.1
170.10854	1.5
171.08073	1.2
171.11694	27.6
173.09602	3.0
173.13261	20.6
174.14017	2.1
175.07697	1.2
175.11227	1.2
175.14854	11.0
177.09154	1.8
179.10674	3.0
181.10149	6.8
182.10783	0.8
183.11751	6.3
184.12512	1.7
185.09602	4.2
185.13274	9.6
187.11255	1.4
187.14853	2.6
189.09105	2.8
191.10635	5.2
193.10193	1.0
195.11678	5.4
196.12485	1.7
197.13177	1.2
198.14032	1.1
199.11183	6.2
199.14857	2.2
201.16451	1.9
203.10652	8.1
205.12263	2.7
209.13329	4.1
211.12770	1.3
211.14839	35.7
213.12775	3.4
213.16396	45.2
215.17744	0.8
217.12276	9.7
218.12729	0.9
222.14113	1.7
224.29662	0.8
227.17950	22.2
229.19514	8.0
231.13818	2.3
237.16409	22.1
245.15396	3.0
245.19046	1.5
248.45650	0.8
249.16663	1.0
255.17461	48.5
256.17911	0.8
273.07687	1.6
273.15005	8.2
273.18503	100.0
274.18958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01875	0.9
55.05515	8.7
57.07066	1.6
59.05017	1.2
67.05506	8.9
69.03420	1.5
69.07070	14.5
69.95402	4.5
71.04973	2.1
73.06502	0.9
77.03934	1.3
79.05492	8.2
81.07060	14.7
83.04963	2.4
83.08616	7.6
85.06542	1.1
91.05473	10.4
93.07047	19.1
94.38615	0.8
95.04962	2.3
95.08060	1.3
95.08611	19.0
97.06511	2.6
97.10175	1.7
103.05469	1.4
105.07027	32.8
107.04949	1.3
107.08599	24.9
109.06506	3.0
109.10150	14.0
111.04462	5.9
111.08040	2.3
115.05450	1.6
117.07044	5.2
119.04905	1.2
119.08579	30.6
121.06519	1.9
121.09322	1.2
121.10141	16.5
123.08102	1.7
123.11721	5.4
125.05967	1.4
128.06207	1.9
129.07007	6.5
129.09067	0.9
130.07805	1.2
131.08565	19.6
133.06470	1.9
133.10135	17.0
135.08063	5.3
135.11688	9.4
137.13254	1.2
141.06996	1.7
142.07750	4.2
143.08569	22.4
144.09326	4.0
145.09048	1.6
145.10132	25.1
145.93478	1.0
147.04378	1.8
147.08043	8.4
147.11682	10.2
149.13219	2.7
151.07565	2.7
153.01869	5.4
153.06897	1.0
155.07260	1.1
155.08554	38.4
156.04147	2.2
156.09364	6.5
157.10136	40.3
158.10890	2.4
159.11690	40.7
160.12437	1.1
161.09610	3.1
161.13268	13.1
162.10405	1.9
163.07468	1.3
163.11116	1.1
163.14801	3.3
165.09079	3.6
165.12744	1.0
166.07808	1.0
167.08574	1.2
169.10121	9.5
170.10927	2.7
171.11697	33.7
173.09628	2.5
173.11755	1.5
173.13266	31.1
174.13950	2.3
175.11264	1.5
175.14841	11.1
177.09071	2.2
177.12827	1.2
179.10748	2.1
181.10144	7.4
183.11708	5.5
185.09615	3.2
185.13254	12.9
187.14828	4.4
189.09070	2.2
189.12631	1.6
189.16397	2.2
191.10661	3.8
195.11722	4.4
196.12411	2.6
197.13268	1.7
198.14067	1.8
199.11243	6.5
199.14877	6.2
201.16415	4.6
203.10689	8.0
203.14243	2.2
203.18036	1.8
205.12236	1.1
209.13246	3.1
211.14812	33.2
213.12770	3.2
213.16377	46.8
215.17937	4.2
217.12282	7.9
217.15816	1.3
227.14548	1.4
227.17953	26.7
229.19574	7.2
231.13828	2.6
231.17442	1.9
237.16394	20.8
245.15289	1.3
245.19046	2.2
255.17432	43.0
255.21054	15.8
273.07458	5.0
273.14987	8.6
273.18469	100.0
273.22079	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	273.1849
Annotation	12-Hydroxy-13-methylpodocarpa-8,11,13-trien-3-one
Peak:m/z	Relative Intensity
53.03936	1.7
55.01863	2.4
55.05498	4.8
57.07071	1.3
67.05500	6.4
69.03429	4.8
69.07056	3.4
70.06590	1.4
70.08787	5.2
71.04977	1.8
71.08602	1.2
75.80048	1.0
79.05485	11.9
81.07066	7.7
83.04981	21.9
83.09361	1.5
91.05479	15.2
93.07047	19.9
95.04963	3.8
95.08606	10.3
96.40408	1.0
97.06534	2.2
102.31739	1.2
105.07024	15.8
107.04946	2.4
107.07891	1.4
107.08598	22.5
109.06516	22.5
109.10166	6.8
111.04377	1.2
111.08079	4.5
115.05449	3.3
117.07015	8.5
119.04948	1.2
119.08582	9.8
121.06486	11.2
121.10159	6.3
122.07248	2.8
123.08080	4.5
125.09589	1.6
129.07028	1.8
131.08571	8.9
133.06488	2.6
133.10117	7.4
135.08051	100.0
135.11624	2.2
136.08847	5.3
137.09601	23.3
139.11150	3.4
142.07771	1.5
143.08563	4.0
143.66016	1.1
144.09293	1.3
145.10132	8.8
147.04393	3.1
147.08034	3.5
147.11726	7.3
149.09592	3.9
149.13225	1.9
151.11137	1.7
153.01828	6.1
156.09317	3.8
157.10149	5.5
159.08066	10.9
159.11710	2.5
161.09608	2.3
161.13263	3.1
171.11682	8.0
173.09645	2.2
173.13252	8.5
175.11136	6.2
187.14835	2.8
189.12729	9.9
197.13264	4.7
199.11197	3.1
203.14275	1.3
211.14767	1.4
213.16289	7.7
215.14261	12.6
217.04994	2.6
217.12206	1.2
231.17365	10.5
245.04553	1.8
255.17415	5.2
255.25192	2.2
273.04144	2.6
273.07532	5.0
273.18500	37.2
273.21613	2.1
273.26233	1.5
274.27420	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	273.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01861	15.1
55.05511	27.3
57.03426	5.5
57.07068	3.7
59.04979	6.3
65.03928	5.8
67.05174	5.3
67.05508	82.4
69.03426	20.3
69.07055	14.0
70.06599	4.7
71.04642	6.3
71.04993	76.0
71.08598	3.9
71.58863	5.6
74.92078	3.5
79.05492	55.2
81.03417	22.4
81.07058	51.5
83.04984	32.4
83.08602	9.8
85.02909	25.3
85.06525	14.1
86.09695	6.2
87.00790	4.4
87.04452	8.7
91.05482	75.1
93.07043	75.2
95.04967	23.4
95.08612	37.2
97.02894	12.1
97.06529	23.9
98.97547	5.0
99.04441	7.3
99.08069	8.5
101.01767	3.9
101.06010	22.7
103.05467	4.2
105.07014	38.7
107.04951	14.6
107.08594	38.4
109.06491	16.8
109.10159	40.5
111.04457	24.6
111.08074	16.9
113.05936	5.5
115.03947	7.9
116.98669	4.0
117.07023	30.1
119.04919	22.5
119.08563	25.7
120.09285	4.2
121.06483	17.8
121.10152	14.9
123.04413	12.1
123.08086	5.4
123.11721	4.7
125.09635	6.5
127.03898	10.8
129.05487	26.9
129.07005	5.1
131.08572	44.2
133.10136	27.0
135.08041	16.8
135.11703	17.3
137.05981	7.3
137.09628	5.3
141.05443	6.2
141.06982	8.6
145.10124	16.6
147.04417	35.9
147.06500	11.2
147.07892	4.6
147.11682	10.9
149.05977	8.2
149.09523	5.6
149.13242	12.1
151.07552	10.8
151.11177	12.6
153.01828	100.0
153.06972	9.4
153.09073	7.2
155.07030	22.1
155.08342	5.4
156.04184	10.5
157.10101	15.6
159.08109	3.8
159.11703	32.3
169.08623	6.7
171.02927	5.6
171.11668	8.5
173.09677	5.0
173.13138	19.9
177.12744	16.3
181.06544	6.4
181.08620	4.0
183.11731	11.0
187.14722	3.6
189.04030	4.9
189.05501	7.3
191.14314	4.2
191.18056	4.1
195.13829	29.7
201.12712	24.7
213.08981	4.7
219.13809	26.2
237.14804	35.8
241.08725	6.1
241.69513	4.2
255.15817	25.2
273.03973	16.1
273.07553	92.2
273.11237	8.3
273.18411	18.5
273.21985	7.2
274.07764	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	273.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19543	1.9
55.05506	5.2
56.05038	2.3
57.07078	2.0
59.05000	4.2
63.88091	2.0
65.03950	1.7
67.05495	11.8
67.47489	1.6
69.03468	2.4
69.07071	6.6
70.06590	2.5
71.04990	31.0
71.58759	1.9
79.05492	15.3
81.07056	100.0
83.04990	4.1
83.08646	2.2
84.04493	2.3
85.02889	2.1
86.09706	4.4
91.05501	11.7
93.07047	16.8
95.04959	9.4
95.08605	9.0
97.06543	5.8
98.97573	2.1
99.00841	2.5
105.07056	7.4
107.08590	39.8
108.63240	1.6
109.06523	11.6
109.10153	50.7
111.08099	5.5
119.04967	2.3
119.08613	2.5
120.96635	45.6
121.10149	3.8
123.11707	31.2
125.09659	3.1
131.08473	2.1
133.10138	9.9
135.11673	4.2
139.11220	3.0
147.04480	5.7
151.11182	89.5
152.11559	2.8
153.01814	13.0
153.07048	2.3
169.12265	22.0
175.11108	2.6
193.12083	3.1
210.14963	1.8
255.07687	2.9
255.12430	6.4
255.17348	2.7
273.04059	4.1
273.08664	87.8
273.13333	3.5
273.18066	20.3
274.09048	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50453	1.0
53.11731	0.9
55.01873	2.0
55.05514	4.7
57.00158	0.9
57.07070	2.0
57.96986	0.9
60.68189	0.8
65.03939	1.1
67.05170	1.2
67.05510	13.1
68.99811	0.8
69.03420	3.9
69.07065	8.0
69.35395	2.3
69.35811	7.8
71.01348	1.1
71.04986	1.4
72.30715	1.0
78.62703	1.0
79.05499	6.7
81.03417	3.9
81.07066	10.8
82.70344	1.0
83.04980	3.8
83.08616	3.7
85.02904	6.3
85.06541	1.4
87.00835	2.6
91.05477	9.5
93.07051	8.3
95.04958	4.4
95.08615	11.6
97.02896	4.2
97.06516	1.1
97.10188	1.5
99.04441	1.3
99.08088	2.1
105.07041	14.0
107.04977	2.7
107.08612	13.7
109.02917	1.7
109.06508	2.2
109.10157	8.6
110.01958	1.0
111.04437	2.6
111.08057	1.7
115.05487	1.2
117.07027	7.8
119.04953	3.0
119.08578	14.4
121.06514	1.0
121.10154	11.8
123.04417	2.8
123.08058	1.8
123.11724	3.1
127.03915	4.3
128.06233	1.7
129.07002	4.9
130.07838	1.6
131.08583	13.9
133.06404	1.5
133.10135	8.7
135.08084	1.3
135.11722	6.6
137.05904	0.9
139.07625	1.1
141.06969	1.5
142.07805	1.8
143.01889	1.2
143.08588	8.0
145.06490	1.3
145.10126	19.7
147.04454	8.0
147.08060	4.1
147.11702	6.4
149.06058	1.1
149.09537	2.0
149.13223	2.4
151.03960	1.7
153.01839	15.6
155.08606	2.0
156.04184	1.7
156.09303	2.1
157.10135	12.5
159.08070	1.8
159.11691	10.4
161.02979	1.5
161.09605	0.9
161.13252	2.6
165.09216	1.2
169.04984	3.4
169.10098	1.8
171.02890	1.6
171.11694	12.0
173.13287	7.3
175.11235	2.3
175.14848	3.6
177.09035	1.3
181.06548	1.1
183.11668	1.5
185.09639	2.2
185.13292	4.4
186.14093	1.6
187.06030	3.2
187.11247	1.2
187.14897	3.4
189.03961	2.2
189.05479	12.3
189.09070	2.1
191.10522	1.1
197.13289	1.1
199.11195	3.7
199.14883	2.2
203.10748	2.1
211.14830	2.2
213.12839	2.3
213.16385	11.3
215.14421	1.8
217.12239	4.2
227.14207	1.6
227.17955	7.1
229.19487	2.6
231.13826	1.3
237.16364	1.6
245.19051	1.5
255.13722	4.3
255.17459	10.5
255.20874	1.9
273.03909	5.9
273.07602	17.1
273.14633	100.0
273.18484	48.6
273.22058	9.1
273.25922	2.8
274.14948	1.9
274.18765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27945	0.8
51.82159	0.8
53.00298	0.8
53.03948	2.0
55.01858	1.1
55.05504	5.9
56.96592	1.0
57.03437	1.0
57.07069	2.8
59.04994	3.7
59.99915	0.8
65.03937	2.0
66.50881	0.7
67.05510	12.8
68.99776	1.2
69.03436	4.6
69.07069	8.1
70.06593	1.3
71.04997	30.3
71.58783	1.1
71.59180	0.9
72.08163	4.5
79.05494	15.8
81.03404	2.7
81.07059	100.0
83.04978	5.5
83.08605	1.2
84.08173	1.9
85.02907	3.0
85.06538	2.9
86.09708	2.7
87.00816	1.4
91.05489	6.3
93.07052	16.5
95.04980	7.4
95.08623	7.0
97.02873	1.0
97.06525	3.3
98.97585	1.6
99.00809	4.1
99.04466	2.2
99.08085	2.2
101.06024	1.5
105.07030	6.2
107.05000	1.1
107.08600	39.1
109.06531	12.0
109.10158	48.9
111.04443	3.1
111.08096	6.3
113.06016	1.2
115.07555	1.9
116.07115	1.3
116.98622	1.2
117.01825	0.9
117.07095	1.0
119.04934	4.3
119.08533	1.1
120.08097	1.3
120.96645	10.7
121.06526	2.0
121.10134	2.4
123.04396	1.2
123.08070	3.8
123.11707	27.0
125.03471	1.5
127.03925	24.6
129.05566	1.4
129.09180	2.0
129.10181	1.0
131.08560	1.6
133.10146	12.6
135.08031	1.0
135.11687	1.8
139.07544	1.2
139.11221	2.0
141.12752	0.9
147.04416	9.6
151.11188	91.9
153.01836	20.1
153.05484	1.7
153.07068	1.3
153.12772	1.7
160.03835	0.9
169.04533	0.9
169.12245	22.3
173.13261	2.1
181.06517	1.9
181.08525	1.8
187.05998	1.0
193.11993	1.5
213.09070	1.2
219.13890	1.3
227.37930	0.9
237.14883	2.3
241.08597	1.3
255.12280	4.8
273.03925	3.8
273.08316	33.1
273.13309	3.9
274.08731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.3
67.31538	0.3
69.03439	0.5
70.05540	0.8
70.05954	0.6
73.02909	0.5
74.09717	2.8
78.13363	0.2
80.97234	0.2
85.02911	1.1
96.96906	0.4
97.02887	0.4
112.05284	0.4
127.03915	0.4
128.14444	0.2
130.06308	2.5
143.01936	0.6
155.01895	0.3
156.04214	100.0
157.04585	0.3
161.02954	0.7
173.02931	0.8
183.04958	0.7
192.05528	0.4
203.04070	0.3
245.05066	0.4
263.06198	0.4
273.12109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43077	0.2
61.62690	0.2
63.56522	0.2
70.62938	0.7
74.09715	3.2
76.27763	0.2
76.63207	0.3
96.96917	0.6
112.05267	0.7
115.33624	0.2
130.06302	3.7
156.04219	100.0
178.57982	0.2
270.13739	0.3
273.12042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.5
55.05505	12.8
67.05507	51.6
69.03443	2.9
69.07068	8.7
70.85770	9.8
71.04995	11.0
75.15627	2.9
79.05495	11.1
81.07058	100.0
83.04958	4.3
85.06547	7.1
87.00836	16.2
91.05475	12.7
93.07033	13.3
95.04946	3.9
95.08597	8.3
97.02911	4.6
97.10162	4.1
105.07013	12.3
107.08581	13.9
109.06542	5.8
109.10140	18.0
119.04919	4.2
120.96629	11.2
121.10152	6.0
123.11711	62.8
133.10165	23.9
136.93117	14.3
141.12764	27.2
147.04413	5.9
149.05968	3.7
151.11205	36.6
153.01816	13.8
153.07008	5.6
154.94174	44.8
169.12291	7.2
172.95244	78.4
181.06522	5.7
187.13312	12.1
189.05489	7.6
190.96297	49.4
195.96799	6.4
207.14029	3.4
231.13562	3.0
241.08571	5.4
252.09479	5.4
273.03888	5.3
273.06467	10.7
273.08377	13.0
273.11343	7.0
273.18542	4.3
273.22070	4.2
291.06723	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	Microminutin
Peak:m/z	Relative Intensity
51.02392	0.4
55.01863	0.7
55.05497	1.3
56.96543	0.4
67.05495	1.3
68.99777	0.5
69.03421	1.8
69.07082	2.4
71.01338	0.4
71.04990	0.5
71.59109	0.8
79.05496	2.4
81.03461	0.5
81.07067	2.3
83.04977	0.9
83.08615	0.7
85.02892	0.9
85.06542	0.5
91.05494	2.1
93.07030	1.4
95.04964	0.6
95.08611	2.6
97.02897	22.7
97.06508	0.9
97.10187	0.5
98.97572	0.7
103.05466	1.3
105.07025	3.1
107.04961	0.8
107.08607	4.4
109.10160	1.3
111.04453	0.7
111.08057	0.7
115.05482	2.1
116.98647	0.5
117.07017	0.9
119.04957	1.9
119.08583	1.9
121.06490	0.8
121.10132	1.8
123.04399	0.7
123.11710	0.8
125.01460	0.4
125.09650	0.7
128.06224	1.1
129.06992	1.1
131.08545	1.1
133.06509	1.9
133.10149	1.9
135.08040	0.8
135.11661	1.1
137.02362	0.9
141.06926	0.7
143.04950	2.2
143.08604	0.4
145.10156	1.0
146.03647	2.3
147.04422	4.0
147.07997	0.6
147.11690	0.8
149.05966	0.6
149.13179	0.5
151.03951	0.4
153.01839	10.2
153.05521	0.4
153.07005	1.2
155.04951	0.6
157.06447	0.8
157.10162	1.2
159.04471	0.8
159.11684	1.3
160.05209	0.9
161.05959	5.6
161.09601	0.7
161.13307	0.6
164.09610	0.4
167.04973	0.7
169.06474	0.5
170.07314	0.5
171.04391	0.9
171.07999	0.6
171.11736	0.8
173.13316	0.9
174.03139	11.5
174.06709	0.5
175.07555	2.6
175.14801	0.6
181.06476	1.2
183.04451	0.9
184.05269	0.6
185.05931	0.6
185.13286	0.7
187.07631	0.6
189.05472	100.0
190.05797	2.0
195.04376	0.4
195.08086	0.5
197.05956	1.1
199.07581	1.5
199.14865	0.5
200.04720	1.6
203.06941	0.6
207.06552	3.5
212.04671	1.0
213.05486	0.9
213.09097	0.7
213.16287	0.7
215.07066	5.5
215.55605	0.4
217.08615	1.0
227.07018	1.8
227.18114	0.4
229.08797	0.6
231.06415	0.5
241.08595	0.6
245.08130	1.6
255.06602	1.2
255.17413	1.1
273.04007	7.2
273.07584	30.6
273.11078	1.9
273.14990	1.2
273.18521	5.8
273.22098	1.2
273.25729	0.8
274.07758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	4.8
55.01888	1.5
55.05516	7.4
57.03440	1.9
65.03942	10.4
65.67157	1.4
67.05177	1.8
67.05512	28.8
68.99803	1.5
69.03086	1.7
69.03436	18.8
69.07063	2.5
69.42002	5.4
69.42442	6.4
71.01349	9.4
71.04973	2.0
79.05489	2.6
81.07060	3.9
83.04985	44.9
83.08614	1.6
84.08097	1.2
85.02909	14.7
87.00848	1.4
88.45731	1.3
91.05482	2.8
93.03410	24.5
93.07037	2.5
95.04969	17.6
95.08604	3.3
97.02905	3.1
99.00822	100.0
105.07019	3.9
107.08608	3.7
109.10136	3.6
111.04453	57.2
112.73360	1.2
117.01854	23.4
119.08583	2.9
121.02863	6.4
121.10144	2.8
125.09653	1.9
127.03904	2.0
129.05489	31.2
131.08554	1.8
133.10124	2.8
135.11729	1.7
137.06015	1.6
139.03905	23.8
140.74599	1.5
145.10149	2.4
147.04500	2.9
147.06558	2.7
149.06033	1.7
153.01857	6.6
153.06987	1.8
157.04947	9.4
157.06075	1.3
157.10187	1.4
159.11745	1.4
161.13326	1.4
175.07413	1.6
189.05533	2.6
201.20421	1.4
209.04446	2.5
213.09134	2.2
227.05515	5.6
273.05838	4.6
273.08090	4.2
273.12085	4.5
273.15411	1.4
273.18268	8.5
273.22156	3.4
273.25613	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.2
57.07070	5.3
57.78121	2.4
63.99974	3.1
65.13993	2.6
67.05503	20.5
69.07069	18.4
71.60986	5.1
79.05486	7.3
81.07066	35.3
83.08616	8.7
91.05482	9.7
93.07059	17.7
94.77530	2.7
95.08612	62.4
105.07040	23.6
107.08611	25.3
109.10149	31.4
119.04919	3.0
119.08588	36.2
121.10159	25.8
121.15257	3.0
123.11703	11.9
131.08565	8.9
133.10129	34.6
135.11685	9.9
141.06938	3.0
143.08600	4.1
145.10135	23.3
147.11725	28.7
149.13237	7.6
153.01831	9.3
157.10181	4.0
159.11688	21.3
161.13278	36.8
163.14815	8.9
169.10023	2.9
171.11578	3.9
173.13283	17.3
175.14828	12.2
177.16330	6.7
185.13411	3.4
187.14902	13.4
189.16380	6.1
191.17879	2.7
197.13068	3.9
199.14754	4.3
201.16449	22.5
211.14656	3.2
215.17947	21.9
229.19363	3.6
243.21065	6.2
253.19705	3.7
270.85721	3.2
271.06018	91.1
271.16974	3.8
271.20590	16.8
271.24200	100.0
272.06326	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	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05514	6.6
57.03427	1.1
57.07055	4.8
62.39178	1.0
65.03931	1.1
67.05231	1.0
67.05508	11.0
67.15632	1.0
69.07062	14.1
70.10919	1.0
71.04988	1.1
71.08622	1.5
71.61707	1.7
75.57125	1.0
79.05511	5.4
79.05889	1.1
81.07058	21.0
83.04958	1.3
83.08617	8.2
85.06522	1.6
91.05485	8.7
93.07048	14.0
95.04929	1.4
95.08607	30.9
97.10163	2.8
105.07032	21.2
107.08591	21.4
109.10157	20.4
111.11708	1.3
115.82529	1.2
117.07005	3.5
119.08580	26.6
121.10143	17.9
123.11700	8.8
129.06995	1.6
131.08572	10.6
133.10147	16.3
135.11703	9.1
137.13272	2.6
143.08578	2.5
145.10129	16.7
147.11682	12.4
149.13261	6.9
151.14841	1.7
153.01907	1.6
155.08566	3.4
156.09340	1.3
157.10130	3.1
159.11681	19.2
161.13260	19.5
163.14832	11.2
167.03394	1.2
169.10136	2.6
171.11690	2.6
172.12544	1.1
173.13251	18.4
174.13820	1.2
175.14827	10.2
177.16426	4.1
181.03275	1.1
183.11664	3.7
185.13181	3.1
185.14812	1.1
187.14818	9.2
189.16444	6.0
191.17899	1.4
196.12442	1.4
197.13281	3.1
201.16399	13.4
211.11156	2.8
211.14850	4.1
213.16310	1.8
215.17964	17.9
225.16403	1.5
229.12271	3.3
229.19475	4.6
243.21088	3.2
253.15862	7.0
253.19449	2.5
254.16171	1.1
271.06015	30.1
271.09604	3.2
271.16977	6.4
271.20654	8.9
271.24213	100.0
272.06235	1.9
272.24625	4.3
272.29453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
52.02689	1.5
52.87326	1.5
55.05512	10.5
57.07071	4.2
62.96983	1.5
67.05500	19.0
69.07068	21.7
71.49796	2.6
79.05493	7.3
79.32317	1.6
81.07056	35.2
83.08640	9.5
91.05476	6.5
93.07036	20.6
95.08608	75.7
97.10159	4.1
105.07033	23.7
107.08592	29.5
109.10159	32.2
111.11743	2.2
117.07014	3.8
119.04919	2.0
119.08587	34.8
121.10159	30.3
123.11700	11.3
131.08549	10.9
133.10130	55.6
135.11694	14.0
137.13277	4.2
143.08568	2.9
144.09244	2.2
145.10124	21.9
147.11691	27.4
149.13280	9.8
153.01830	2.7
157.10106	4.0
159.11696	31.5
161.13264	29.8
163.14803	11.5
166.01064	1.7
169.10184	2.3
171.11707	6.4
172.12468	2.9
173.13275	22.8
175.14833	17.0
177.16431	5.5
177.88301	1.6
183.11633	4.2
184.22067	1.5
185.13356	2.3
186.14125	2.8
187.14828	18.7
188.15660	2.6
189.16393	12.2
197.13266	3.5
201.16388	39.0
201.18214	2.9
203.17906	2.7
211.11287	1.6
211.14857	4.0
213.16342	1.9
215.17953	29.5
225.16440	2.2
229.15857	1.7
229.19507	5.7
243.21056	3.6
244.99580	1.7
253.15979	3.6
253.19516	5.2
271.03104	2.4
271.06000	32.3
271.17554	2.3
271.20648	18.7
271.24203	100.0
276.97787	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.84090	1.2
55.05514	6.7
57.07074	3.2
65.14255	1.0
67.05521	10.1
67.48537	1.0
69.06770	1.1
69.07071	11.9
69.61030	3.5
69.61443	5.2
79.05491	3.7
81.07059	19.6
83.08630	7.3
91.05465	5.9
93.07048	14.0
95.08611	37.2
97.10178	2.3
100.84692	1.1
105.07035	16.7
107.08607	21.1
109.10160	26.6
111.11697	1.7
117.06985	1.7
119.08588	34.6
121.10148	24.6
121.39681	1.1
123.11725	12.0
131.08551	8.3
133.10141	29.1
135.11694	11.3
137.13263	3.2
143.08524	2.6
145.10121	19.9
147.11691	14.9
149.13260	10.7
157.10139	2.9
158.10858	1.5
159.11696	18.7
160.12473	1.5
161.13255	17.5
162.32211	1.3
163.14838	10.3
169.10104	2.5
171.11691	3.6
173.13269	12.3
175.14839	11.2
177.16370	5.2
185.13264	2.0
187.14845	15.1
189.16429	8.6
197.13161	1.7
199.14835	2.2
201.16368	18.7
202.89569	1.2
203.18076	1.2
211.14847	2.0
213.16327	1.6
215.17986	15.4
216.18692	1.3
225.16415	2.6
229.12253	1.4
229.19519	5.0
243.21098	2.1
253.15887	4.0
253.19501	2.3
271.06015	11.4
271.16974	3.2
271.20694	9.6
271.24219	100.0
272.24573	2.7
277.88821	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83369	1.6
55.05512	12.2
56.96561	1.9
57.03439	2.6
57.07065	6.7
58.75341	1.8
67.05497	11.4
68.34888	1.7
69.07075	18.2
71.04994	1.8
71.59446	2.2
71.59834	2.3
71.61123	1.5
72.73701	1.5
79.05505	6.3
81.07066	23.4
83.08627	9.9
85.06554	2.0
91.05475	7.8
93.07042	16.1
95.08611	27.8
95.35081	1.5
97.06541	1.9
97.10179	6.9
105.07047	14.8
107.08590	22.2
109.10167	16.4
111.11754	2.1
117.07027	4.2
119.04993	3.4
119.08591	22.7
121.10141	18.9
123.11720	12.2
129.07014	3.1
131.08583	12.6
133.10136	16.2
135.11684	9.1
137.04213	1.6
137.13246	3.9
142.07791	2.0
143.08539	3.6
144.09294	2.0
145.10132	20.9
147.11652	15.5
149.13287	7.6
151.14867	2.0
153.01883	2.3
155.08543	2.1
157.10117	4.2
158.10921	2.2
159.11699	19.8
161.13284	10.1
163.14839	5.7
171.11671	4.3
173.13249	18.2
175.14787	11.9
177.16327	2.7
183.11644	3.0
185.13342	2.7
187.14839	21.3
189.16335	9.4
190.17033	2.5
199.14774	3.0
201.16383	18.6
215.17899	13.3
227.17886	2.2
229.19489	4.8
240.23232	2.0
246.30948	1.9
253.15878	2.3
253.19560	2.5
271.06036	52.9
271.09296	3.9
271.16953	5.8
271.20654	12.4
271.24240	100.0
272.06284	3.4
272.20782	2.3
272.26138	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	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.5
57.07064	2.8
67.05504	18.5
67.36139	2.0
69.07061	13.1
71.58649	3.6
79.05483	9.9
81.07056	31.4
81.72208	2.4
83.08615	9.9
91.05479	4.8
93.07040	17.1
95.08605	59.3
97.10146	4.1
103.05565	2.2
105.07015	20.1
107.08589	32.1
109.06523	2.1
109.10149	40.9
114.92031	2.7
117.06998	2.7
119.08585	29.6
121.10132	31.5
123.11684	11.1
131.08559	12.7
133.10130	42.2
135.11671	11.6
137.13274	4.0
142.53267	2.5
143.08655	2.3
145.10143	26.8
147.11702	27.2
149.13278	12.4
153.01823	5.1
157.10092	4.2
159.11697	27.5
161.13293	13.5
163.14867	11.2
173.13257	16.5
175.14845	16.8
177.16418	4.8
183.11667	2.7
185.13310	4.5
187.14851	18.2
189.16391	6.1
201.12437	2.4
201.16405	21.0
203.17992	2.6
215.17989	23.3
229.19504	5.9
243.21091	5.1
253.19612	4.7
263.29895	2.6
271.05975	42.3
271.17270	4.7
271.20627	18.5
271.24203	100.0
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	Axerophthene
Peak:m/z	Relative Intensity
55.05304	0.9
55.05510	10.4
57.07063	3.5
65.03944	0.9
66.04033	1.0
67.05507	16.4
68.16658	1.0
69.06786	1.1
69.07064	12.3
69.62173	4.7
69.62601	2.9
71.08627	1.9
79.05484	7.3
79.14581	0.9
81.06580	1.4
81.07053	26.6
83.08622	8.3
83.56222	1.1
91.05473	5.7
93.07037	14.9
95.08601	60.3
97.10139	2.4
100.58612	1.0
101.85319	1.1
105.07035	16.7
107.08590	31.6
109.10152	38.8
110.10384	1.0
117.06981	2.2
119.08575	31.8
121.10133	30.5
123.11713	11.4
131.08536	7.8
133.10123	39.2
134.10439	1.4
135.11696	12.9
137.13251	2.9
144.09311	1.2
145.10110	24.2
147.11693	20.1
149.13225	11.3
157.10124	2.3
158.10884	1.4
159.11684	26.4
160.12250	1.7
161.13251	16.6
161.75328	1.0
163.14825	12.9
173.13266	17.4
175.14816	17.0
177.16364	5.5
187.14830	13.8
189.16356	7.2
196.99794	1.1
201.16376	28.4
203.17944	1.3
211.14696	1.5
215.17931	23.8
229.19568	4.9
243.21123	3.7
271.06042	5.5
271.20688	6.5
271.24185	100.0
272.24582	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	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03950	0.8
55.05516	7.8
55.79351	0.8
57.07059	3.2
67.05508	9.6
68.99796	0.9
69.07066	9.1
69.26797	11.1
71.04983	1.1
71.08614	2.0
79.05489	4.4
81.06577	1.4
81.07056	20.0
83.08612	5.0
91.05448	5.8
93.07039	11.4
95.08607	26.4
97.10144	2.3
103.84385	0.7
105.07035	15.3
107.08601	21.2
109.06495	1.2
109.09457	1.6
109.10159	21.3
111.11648	0.9
117.07033	2.1
119.04926	1.7
119.08578	26.1
121.10145	16.4
123.11703	7.8
131.08592	6.9
133.10136	17.1
135.11694	9.5
137.13260	1.9
142.71510	0.8
143.08536	1.8
144.09288	1.0
145.10127	14.7
147.11676	12.5
149.13257	8.2
151.14738	1.1
153.01807	3.1
157.10081	3.0
158.10783	0.9
159.11699	15.7
159.59505	0.9
161.13254	10.9
163.14845	8.3
169.10135	1.8
171.11673	1.3
173.13266	11.9
175.14835	7.4
177.16356	4.1
183.11710	1.3
185.13217	1.1
187.14816	12.4
189.16385	5.1
191.66820	1.0
196.28706	0.9
199.14859	0.9
201.16371	16.3
203.17949	1.1
211.14780	1.0
213.16273	1.6
215.17949	14.6
219.28600	1.0
229.19524	3.5
243.21092	3.2
253.15746	1.2
253.19499	2.0
271.06027	33.7
271.16956	2.2
271.20673	9.3
271.24197	100.0
272.06439	2.8
272.24509	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05513	5.3
57.03428	0.9
57.07057	2.6
59.23233	0.8
67.05509	10.3
69.07069	11.2
69.36968	7.7
71.08629	1.3
75.30228	0.9
79.05489	5.0
81.06583	1.4
81.07061	22.9
83.04990	1.1
83.08611	4.2
91.05467	6.5
93.07047	15.7
94.90223	0.8
95.04948	1.1
95.08614	30.1
97.10152	3.0
98.20756	1.3
101.72061	0.8
105.07033	14.9
107.08600	18.6
109.10166	25.9
111.11743	1.0
117.07001	3.1
119.07791	1.7
119.08586	19.4
120.08881	0.9
121.10152	19.3
123.11713	9.2
131.08586	6.7
133.09224	1.4
133.10132	13.7
135.11705	9.3
137.13280	1.2
143.08540	1.8
145.10118	10.6
147.11699	12.3
149.13269	12.5
153.01836	1.5
155.08560	1.3
157.10161	3.1
159.11707	12.6
161.13274	12.5
163.14862	10.6
163.16133	1.4
169.10074	1.8
171.11714	1.9
173.09529	0.9
173.13287	10.1
175.14838	13.0
177.16396	3.5
183.11694	2.4
185.13258	2.3
187.14857	10.1
189.16396	5.9
191.18037	1.0
197.13286	1.3
201.16385	12.8
211.14850	2.1
213.16333	1.2
215.17966	13.7
225.16254	0.9
229.19533	3.0
243.21185	2.4
253.15869	1.1
253.19510	2.1
271.06027	20.7
271.16946	3.7
271.20673	10.7
271.24213	100.0
272.06332	1.3
272.20813	1.0
272.24493	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
52.76955	1.0
55.05521	7.0
57.07064	4.3
67.05502	12.9
69.07066	19.5
70.17796	2.4
70.18172	4.9
71.08627	1.3
79.05483	9.8
80.84267	1.2
81.07059	41.5
83.08612	5.7
85.10165	1.4
89.42629	1.2
91.05482	9.0
93.07050	21.8
95.04986	1.5
95.08608	34.5
97.06542	1.4
97.10196	2.7
105.06384	2.2
105.07034	25.8
107.08589	27.5
109.10163	22.0
111.11657	1.5
117.07010	2.9
119.08577	30.5
121.10150	22.0
123.11712	13.7
131.08574	7.9
133.10127	19.6
135.11703	10.4
137.13240	3.3
145.10107	17.3
147.11691	20.7
149.09625	1.3
149.13274	11.9
151.14783	1.3
153.01842	2.2
155.08508	1.2
157.10139	4.2
158.10915	1.5
159.11697	23.1
160.12480	1.3
161.13290	18.1
163.14809	10.6
164.39914	1.3
169.10083	2.5
171.11679	2.3
173.09624	1.4
173.13228	13.8
175.14792	11.4
177.16402	4.8
183.11693	2.8
185.13194	2.4
187.11069	1.4
187.14830	8.2
189.16405	5.3
199.14867	1.3
201.16391	12.1
206.50935	1.3
211.11148	2.3
211.14842	3.0
213.16394	1.9
215.14705	1.6
215.17967	17.9
225.16298	1.7
229.19514	4.8
243.21140	3.5
253.15862	4.4
253.19583	2.6
271.06015	25.9
271.16922	3.7
271.20630	14.2
271.24200	100.0
272.06323	2.3
272.24542	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05509	5.8
56.96548	0.8
57.03431	1.1
57.07084	3.5
59.53035	0.7
62.70811	0.7
65.70346	0.6
67.05513	8.6
69.03430	1.2
69.07066	8.2
70.81015	1.7
71.05002	0.9
71.08623	1.3
72.42980	0.7
79.05505	4.4
81.07056	17.6
83.08614	6.4
85.02875	0.7
91.05466	5.8
93.07042	10.2
95.04942	0.7
95.08607	23.0
97.06535	1.1
97.10169	3.0
105.07028	12.4
107.08593	16.5
109.06533	0.8
109.10158	16.9
111.11687	0.7
117.07024	2.9
119.08586	20.7
120.17830	0.6
121.10159	13.1
123.11716	6.3
129.07001	2.1
131.08557	7.7
133.10133	14.9
135.08087	1.0
135.11668	7.4
137.13263	1.6
142.07817	0.8
143.08540	2.5
145.10127	14.7
147.11678	10.1
149.09622	1.1
149.13240	8.0
151.14645	0.7
153.01854	1.8
155.08624	1.6
156.09326	0.8
157.10112	3.4
158.10860	1.0
159.08000	3.9
159.11693	16.5
160.12347	0.7
161.13252	9.7
163.14838	6.8
167.08575	0.7
169.10101	2.9
171.11665	3.5
173.09572	1.0
173.13274	16.3
175.11250	1.2
175.14836	6.9
177.16368	3.2
183.11711	2.1
185.13289	2.9
187.11174	1.0
187.14818	12.7
189.16400	5.8
190.17160	0.8
191.17960	1.4
197.13298	2.8
199.14801	1.9
201.12798	0.7
201.16385	13.5
202.17076	0.9
208.11668	0.8
211.11230	0.8
211.14824	2.5
213.12712	0.9
213.16368	2.2
215.14441	1.1
215.17949	11.5
216.18573	0.8
217.19533	0.8
225.05493	0.7
225.16397	2.0
227.17906	1.7
229.15962	1.0
229.19473	4.1
243.21057	4.9
253.15996	2.0
253.19498	3.1
255.70526	0.7
271.06006	18.1
271.09229	1.8
271.17041	4.9
271.20636	20.6
271.24216	100.0
272.06195	2.0
272.20798	0.8
272.24359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07333	1.2
55.05516	8.4
57.07070	4.8
58.06589	1.5
64.18309	1.2
66.06873	1.5
66.30460	1.1
67.05505	17.5
69.07069	20.9
71.04973	1.2
71.08615	1.7
71.59912	2.1
79.05494	10.0
81.07059	36.3
83.08620	7.1
90.40934	1.3
91.05473	7.9
93.07043	15.7
95.04974	1.7
95.08603	30.0
96.08133	3.8
97.06528	1.6
97.10155	4.7
99.08086	2.6
105.07029	18.9
106.06533	1.8
107.08601	23.8
108.08124	8.6
108.08797	1.4
109.06517	1.3
109.10153	26.9
115.05473	1.7
116.49220	1.2
117.07017	3.4
119.08578	28.1
121.10143	19.0
123.08096	1.6
123.11700	14.8
129.07021	2.3
130.23943	1.4
131.08562	12.0
133.10139	18.1
134.05992	2.8
134.93303	1.4
135.08066	1.6
135.11661	11.3
135.75359	1.3
136.07559	1.9
137.13255	3.1
141.06992	1.9
143.08546	3.1
144.09251	1.5
145.10120	18.3
147.11685	32.9
149.13252	9.8
153.01738	2.7
154.06445	1.9
155.08537	2.2
156.09268	1.8
157.10130	4.6
159.08020	2.4
159.11697	20.9
161.13257	17.7
163.14822	9.6
165.06937	1.1
168.08067	2.6
169.08836	2.7
169.10161	3.1
171.11745	3.8
173.09644	2.8
173.13283	10.9
175.11075	1.7
175.14845	10.7
177.16342	3.3
181.10176	2.6
183.10403	3.6
183.11777	3.5
185.13232	1.6
186.09073	1.4
187.14789	12.8
189.16385	10.4
196.07614	3.3
197.08339	9.1
197.13199	2.0
198.12706	6.2
199.08635	6.4
201.16394	12.4
203.17935	2.6
208.11324	1.4
210.09184	1.5
211.09843	13.1
211.14844	2.7
213.10216	12.0
213.16389	2.1
215.15710	2.7
215.17972	14.1
217.19485	1.3
225.16304	1.8
226.12277	28.5
227.11821	10.6
228.12569	19.0
229.19545	4.1
235.16891	1.6
243.14948	17.9
243.20906	2.3
253.13300	2.6
253.15828	3.2
253.19543	1.6
254.24794	3.7
255.11339	4.7
256.12070	11.4
271.06024	29.1
271.14420	71.5
271.16977	7.8
271.20627	12.5
271.24194	100.0
272.14700	3.8
272.21390	1.5
272.25726	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	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.07333	1.2
55.05516	8.4
57.07070	4.8
58.06589	1.5
64.18309	1.2
66.06873	1.5
66.30460	1.1
67.05505	17.5
69.07069	20.9
71.04973	1.2
71.08615	1.7
71.59912	2.1
79.05494	10.0
81.07059	36.3
83.08620	7.1
90.40934	1.3
91.05473	7.9
93.07043	15.7
95.04974	1.7
95.08603	30.0
96.08133	3.8
97.06528	1.6
97.10155	4.7
99.08086	2.6
105.07029	18.9
106.06533	1.8
107.08601	23.8
108.08124	8.6
108.08797	1.4
109.06517	1.3
109.10153	26.9
115.05473	1.7
116.49220	1.2
117.07017	3.4
119.08578	28.1
121.10143	19.0
123.08096	1.6
123.11700	14.8
129.07021	2.3
130.23943	1.4
131.08562	12.0
133.10139	18.1
134.05992	2.8
134.93303	1.4
135.08066	1.6
135.11661	11.3
135.75359	1.3
136.07559	1.9
137.13255	3.1
141.06992	1.9
143.08546	3.1
144.09251	1.5
145.10120	18.3
147.11685	32.9
149.13252	9.8
153.01738	2.7
154.06445	1.9
155.08537	2.2
156.09268	1.8
157.10130	4.6
159.08020	2.4
159.11697	20.9
161.13257	17.7
163.14822	9.6
165.06937	1.1
168.08067	2.6
169.08836	2.7
169.10161	3.1
171.11745	3.8
173.09644	2.8
173.13283	10.9
175.11075	1.7
175.14845	10.7
177.16342	3.3
181.10176	2.6
183.10403	3.6
183.11777	3.5
185.13232	1.6
186.09073	1.4
187.14789	12.8
189.16385	10.4
196.07614	3.3
197.08339	9.1
197.13199	2.0
198.12706	6.2
199.08635	6.4
201.16394	12.4
203.17935	2.6
208.11324	1.4
210.09184	1.5
211.09843	13.1
211.14844	2.7
213.10216	12.0
213.16389	2.1
215.15710	2.7
215.17972	14.1
217.19485	1.3
225.16304	1.8
226.12277	28.5
227.11821	10.6
228.12569	19.0
229.19545	4.1
235.16891	1.6
243.14948	17.9
243.20906	2.3
253.13300	2.6
253.15828	3.2
253.19543	1.6
254.24794	3.7
255.11339	4.7
256.12070	11.4
271.06024	29.1
271.14420	71.5
271.16977	7.8
271.20627	12.5
271.24194	100.0
272.14700	3.8
272.21390	1.5
272.25726	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
52.61643	0.8
53.03930	1.0
55.05511	8.8
57.07075	3.7
67.05505	13.3
69.07069	18.4
69.68451	7.5
71.04989	2.6
71.08627	1.3
73.29358	0.8
75.82751	0.9
79.05496	5.9
81.07053	32.5
83.04959	1.2
83.08622	8.7
85.06532	1.2
86.19442	1.1
91.05459	7.5
93.07046	15.9
95.04953	1.4
95.08604	29.3
97.10172	5.5
105.07030	21.2
107.08581	23.7
109.06490	1.1
109.10155	26.2
111.11710	1.4
117.07009	4.1
119.08575	28.7
121.10135	19.5
123.11704	13.7
129.07004	1.4
131.08562	8.5
133.10138	15.9
135.11678	12.7
137.13237	2.2
143.08574	2.4
145.10115	16.6
147.11676	25.6
149.13266	13.2
155.08531	2.0
156.09360	1.6
157.10135	5.2
158.10909	1.3
159.11697	17.3
160.12497	1.0
161.13242	18.3
163.14819	10.4
169.10106	3.5
171.11722	4.2
173.13283	11.5
175.14801	14.7
177.16385	2.7
183.11703	2.8
185.13283	1.4
187.14806	10.9
189.16393	10.5
197.13264	3.4
199.14783	2.3
201.12730	2.5
201.16386	18.5
202.16830	1.3
203.17955	1.4
209.13298	1.4
211.11168	1.0
211.14815	3.9
213.16364	2.5
215.14384	1.8
215.17949	18.0
215.19911	1.4
217.19623	1.0
225.16417	1.9
227.17940	2.5
228.18631	1.1
229.15852	1.2
229.19516	3.9
243.21100	2.7
246.91116	1.1
253.15849	1.8
253.19547	4.0
271.06027	16.7
271.17026	4.0
271.20621	26.5
271.24213	100.0
272.06262	1.7
272.24597	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	271.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.05263	4.3
55.05510	63.2
57.03419	7.0
57.07069	17.3
62.25705	2.2
67.05500	60.3
67.91997	2.4
69.03413	7.4
69.07064	87.6
71.04978	8.8
71.08638	5.7
72.08137	2.3
79.05490	22.4
81.03413	7.1
81.06576	4.8
81.07053	84.1
83.04971	8.7
83.08614	53.4
85.02933	6.4
85.06538	8.7
91.05483	19.1
93.07053	32.8
95.08603	100.0
97.02865	5.8
97.06535	12.4
97.10165	58.7
99.04459	7.0
99.08077	5.3
105.07024	23.8
107.08590	29.2
109.02889	3.0
109.10152	37.8
111.04462	3.9
111.08057	6.4
111.11720	25.0
112.07611	7.9
113.09636	4.3
119.08588	27.1
121.10148	37.4
123.08081	6.1
123.11730	13.0
125.09626	5.5
125.13286	6.5
127.03893	12.4
131.08553	3.7
133.10143	31.2
135.11688	32.7
137.09583	5.2
137.13223	16.7
139.11156	11.2
145.10112	9.7
147.11693	21.4
149.13298	8.3
151.11166	7.6
151.14787	10.2
153.12733	8.2
155.08595	3.5
155.10693	3.6
155.14282	8.1
157.10129	3.6
159.08011	9.6
159.11671	5.6
161.13258	19.5
163.14864	7.1
165.06934	6.0
165.12793	8.0
169.12267	2.7
171.11739	3.2
173.13237	10.4
175.14809	10.8
177.16440	4.3
179.14294	3.7
183.11700	3.4
187.14790	4.4
189.16344	5.0
191.17932	2.9
193.19572	4.5
199.14735	2.5
201.16374	5.8
205.04929	3.4
211.07436	3.4
215.17911	6.7
217.19493	41.7
221.03943	2.6
229.13747	3.1
229.19568	3.9
235.20544	28.7
242.99406	2.8
253.19598	2.3
253.21660	20.1
254.15642	5.7
271.05865	31.3
271.08398	5.0
271.09924	4.8
271.16986	7.8
271.20560	16.6
271.24185	30.4
272.16986	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	271.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29469	4.4
55.05512	68.8
57.07072	18.1
67.05506	47.7
67.38180	5.1
69.03413	6.3
69.07072	100.0
69.20635	5.2
69.97834	26.7
71.04978	9.4
71.08630	7.7
71.22562	4.5
79.05500	21.5
81.07059	93.6
83.04986	12.5
83.08612	52.0
85.02903	5.0
85.06592	4.9
88.43463	4.2
91.05495	20.0
93.07044	41.8
95.04958	5.3
95.08608	97.2
97.02890	6.2
97.06534	15.0
97.10167	70.6
99.04469	5.0
99.08081	5.5
105.07041	30.1
107.08622	30.7
109.10161	50.5
111.08047	5.9
111.11725	33.0
115.07599	4.4
119.08594	30.1
121.10145	47.1
123.08096	4.8
123.11671	12.9
125.09668	9.6
125.13277	9.3
127.03904	11.6
127.53741	4.3
133.10143	31.1
135.11694	42.8
137.09616	6.1
137.13287	12.5
139.11179	11.9
145.10150	9.8
147.11705	21.9
149.13246	7.1
151.11147	8.0
151.14810	11.4
153.12799	14.7
159.11697	8.6
161.13248	26.5
163.14774	7.2
165.07013	6.2
165.12865	8.6
171.11646	6.1
173.13263	10.6
175.14897	14.5
179.14293	11.3
183.11646	10.3
190.67336	5.0
193.19604	8.6
197.13148	5.6
205.04932	6.4
211.07617	6.3
211.11179	7.4
215.17957	6.1
217.19484	58.0
218.03838	5.1
225.16367	5.1
229.11334	4.9
235.05940	7.6
235.20584	38.4
235.62990	4.8
246.66275	4.6
253.15968	6.2
253.21625	27.2
271.05853	37.9
271.08136	5.2
271.09750	9.9
271.17239	9.6
271.20547	29.7
271.24182	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	271.2058
Annotation	17-Methyl-18-norandrosta-4,13(17)-dien-3-one
Peak:m/z	Relative Intensity
53.03954	0.5
55.01872	0.3
55.05302	0.4
55.05513	4.0
57.03428	1.0
57.07080	2.2
59.04993	0.4
65.03953	0.4
67.05215	0.4
67.05507	3.9
69.03406	1.3
69.07073	6.8
70.41279	0.3
70.41628	1.1
70.93821	0.3
71.04989	1.1
71.08645	0.5
71.84708	0.3
77.78358	0.3
79.05499	3.3
79.10822	0.3
81.07057	7.8
83.04955	0.8
83.08620	2.5
83.54002	0.3
85.06532	1.9
91.05477	5.0
93.07040	6.6
95.04946	1.1
95.08607	11.5
97.06535	1.6
97.10147	0.6
99.08097	1.5
105.07031	11.3
106.71650	0.3
107.04938	0.6
107.08588	9.8
109.06505	1.6
109.09469	0.4
109.10167	5.9
111.08086	2.1
113.09635	3.3
115.05418	0.9
117.07024	3.9
119.08585	13.4
121.06474	1.3
121.10143	6.4
123.08056	1.5
123.11715	2.3
125.09634	1.1
128.06210	1.2
129.06978	3.1
130.07767	1.1
131.08568	9.5
133.06523	0.7
133.10127	9.0
135.08040	2.1
135.11687	3.7
137.09602	0.9
137.13246	0.8
141.06976	1.7
142.07768	3.0
143.08565	9.6
144.09332	1.3
145.06493	1.5
145.10126	14.5
147.08041	1.7
147.11687	5.3
149.09579	1.7
149.13277	2.0
151.11194	0.6
153.06989	0.6
154.07758	0.8
155.08539	6.2
156.09355	4.3
157.10130	13.9
158.10915	2.1
159.08076	2.8
159.11691	15.4
160.12521	0.4
161.09651	1.7
161.13260	3.7
163.11157	2.1
163.14803	0.9
165.12749	0.6
167.08578	1.1
168.09355	2.1
169.10136	9.5
170.10883	1.4
171.07956	0.4
171.11694	14.2
172.08856	0.5
172.12477	0.7
173.09647	3.1
173.13258	14.2
174.13976	0.5
175.11217	2.0
175.14777	1.6
177.12767	1.3
179.08531	0.5
181.10144	1.6
182.10912	2.5
183.11691	11.9
184.12427	0.8
185.09685	0.7
185.13277	7.4
186.14009	2.0
187.11198	3.3
187.14821	6.6
189.12755	2.6
191.14296	0.4
193.54013	0.4
195.11644	1.6
196.12480	1.6
197.09596	0.5
197.13257	11.1
198.14055	0.5
199.11058	0.5
199.14856	6.8
201.12732	6.4
201.16389	3.1
202.13416	0.5
203.14317	1.3
209.13208	2.0
210.14076	1.6
211.11360	0.7
211.14821	9.5
212.15463	0.4
213.12782	0.7
213.16380	9.9
215.10706	1.3
215.14317	7.7
215.17818	0.8
223.14838	0.8
224.15598	0.7
225.16389	5.3
227.14503	0.4
227.17953	5.7
228.15137	0.6
228.18773	1.1
229.12312	0.8
229.15868	3.6
229.19460	3.4
235.14818	0.6
238.17181	0.8
241.19691	0.4
243.17400	1.4
243.21101	5.9
253.15898	4.8
253.19504	18.7
271.06064	4.3
271.17062	9.4
271.20551	100.0
272.20905	1.0
293.78625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2059
Annotation	17-Methyl-18-norandrosta-4,13(17)-dien-3-one
Peak:m/z	Relative Intensity
54.16622	1.1
55.01868	2.3
55.05515	5.9
57.03437	2.0
57.07067	2.7
67.05512	9.6
69.07075	10.3
69.91049	7.2
70.71022	1.1
71.04962	1.5
71.08623	1.5
79.05487	5.3
79.58443	1.1
81.07056	15.9
83.04983	2.5
83.08615	5.0
91.05478	6.7
93.07063	9.6
95.04973	2.0
95.08610	22.0
97.06521	1.5
97.10155	1.2
98.20802	1.2
105.07033	12.1
107.08595	15.7
109.06505	2.8
109.10181	14.5
111.08100	1.6
115.05472	2.0
117.07008	5.0
119.04970	1.6
119.08587	25.0
121.06522	2.0
121.10164	11.8
123.08064	3.3
123.11706	4.1
128.06172	1.6
129.07057	2.1
131.08580	9.9
133.10126	18.3
135.08047	4.0
135.11682	6.9
137.09604	3.2
137.13274	2.2
141.06993	3.4
142.07755	3.2
143.08582	8.3
144.09309	1.5
145.10139	19.3
147.08051	1.5
147.11713	9.4
149.09653	2.8
149.13249	4.7
151.11177	2.4
153.01836	3.9
153.07024	1.3
155.08566	5.8
156.09361	5.5
157.10135	11.5
158.10921	3.7
159.08061	2.7
159.11703	19.3
161.09647	2.4
161.13313	8.2
163.11218	2.5
163.14780	1.5
167.08488	1.5
168.09334	5.3
169.10143	15.6
170.10918	2.8
171.11685	12.9
172.12473	2.2
173.09625	2.0
173.13271	26.2
175.11200	4.3
175.14812	4.7
177.12773	3.0
181.10078	2.9
182.07288	1.3
182.10852	2.6
183.10254	1.0
183.11691	24.0
185.13304	7.8
187.11145	5.2
187.14816	8.6
189.12724	4.8
193.10207	2.2
195.11710	3.2
196.08873	1.4
196.12440	5.2
197.13275	13.2
199.14827	5.3
201.12775	4.0
201.16374	3.9
209.13275	2.1
210.14029	4.0
211.11217	15.4
211.14809	15.3
213.16365	6.5
215.10718	2.0
215.14349	5.3
215.17958	3.6
223.14859	1.8
225.16386	10.8
227.17937	4.5
229.12254	13.5
229.15924	3.8
229.19531	2.9
235.14789	2.9
243.17297	1.5
243.21086	11.3
253.13264	1.2
253.15892	31.9
253.19530	17.6
271.06018	49.6
271.17026	15.5
271.20575	100.0
271.24020	9.0
272.06387	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	271.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01875	1.1
55.05510	6.3
57.03440	0.8
57.07074	2.3
57.88847	0.7
67.05499	9.0
69.07063	6.7
70.65884	1.6
70.66285	2.0
71.04981	1.1
79.05489	4.4
81.07053	14.3
83.04968	0.9
83.08612	3.5
91.05475	8.0
93.07035	12.4
95.04966	1.4
95.08601	19.7
97.10178	2.1
99.08089	0.7
105.07023	19.3
107.04910	1.2
107.08591	14.7
109.06524	3.7
109.10155	14.0
111.04481	0.9
111.08070	0.8
117.07007	3.1
119.08571	22.0
121.06535	1.5
121.10139	10.4
123.08063	1.8
123.11710	4.4
128.06213	1.3
129.07008	4.0
130.07748	0.8
131.08557	14.3
133.10130	15.0
135.08028	1.0
135.11688	7.6
137.09598	1.9
141.06967	1.6
142.07716	3.3
143.08554	8.9
144.09299	3.1
145.10120	20.6
147.11674	12.0
149.09633	1.7
149.13251	4.7
150.54071	0.8
153.01790	1.0
154.07822	0.8
155.08549	7.5
156.09346	4.2
157.10129	15.4
158.10912	2.8
159.11684	29.3
161.09642	1.8
161.13237	7.6
163.11176	1.9
163.14810	3.2
167.08554	2.0
168.09317	2.8
169.10124	13.4
170.10899	2.1
171.11696	14.0
172.12477	0.8
173.09604	1.7
173.13260	22.1
174.14015	3.1
175.11148	2.1
175.14792	3.4
177.12802	1.6
179.02029	1.5
181.10133	2.1
182.10913	2.5
183.11684	16.8
183.13210	1.3
184.12320	1.1
185.13242	9.1
187.11150	2.5
187.14813	7.6
189.12689	1.4
189.16374	1.4
195.11610	3.6
196.12465	3.7
197.09602	1.2
197.13246	15.8
199.14798	4.0
201.12688	3.9
201.16344	6.0
202.13510	1.0
209.13239	2.8
210.14032	3.0
211.11256	5.5
211.14807	12.8
213.16374	8.0
215.10793	2.1
215.14236	4.7
215.17923	5.1
223.14854	1.3
225.16370	12.2
227.17905	4.2
229.12289	3.6
229.15900	2.7
229.19551	2.0
235.14777	2.3
238.17123	1.1
241.19429	1.0
243.17513	1.2
243.21062	13.8
253.15892	17.3
253.19524	35.0
254.19853	0.7
271.06003	11.6
271.17001	27.7
271.20572	100.0
271.24097	13.4
272.06320	1.2
272.20920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01860	0.4
55.05267	0.4
55.05509	4.5
57.03424	1.2
57.07057	1.0
65.03922	0.6
67.05502	5.1
69.03418	0.7
69.06722	0.4
69.07069	5.5
70.48222	0.6
71.04983	2.1
79.05490	4.2
81.07054	9.2
81.44642	0.3
83.04989	0.7
83.08615	2.4
85.06541	3.3
91.05476	4.7
93.07043	7.8
95.04955	1.1
95.08606	11.9
97.06521	1.5
97.10170	1.3
99.08075	0.9
100.36071	0.3
103.05457	0.5
105.07026	12.1
107.04954	0.5
107.08595	10.6
109.06517	2.0
109.09446	0.6
109.10150	7.5
111.08053	1.2
113.09635	1.1
115.05421	0.6
117.07023	3.3
119.08578	17.8
121.06489	1.5
121.10136	9.1
123.08090	1.7
123.11706	2.7
125.09600	0.8
128.06174	1.6
129.07022	2.6
130.07806	0.8
131.08565	8.8
132.09323	0.6
133.06464	0.5
133.10130	13.4
135.08086	1.7
135.11688	4.7
137.09570	1.1
137.13217	0.5
141.07011	1.7
142.07796	2.8
143.08554	9.1
144.09334	1.6
145.06499	0.6
145.10123	14.6
147.08038	1.1
147.11687	5.7
149.09621	2.3
149.13255	1.9
151.11165	0.9
152.06125	0.3
153.06990	0.9
154.07664	0.8
155.08557	5.9
156.09346	4.6
157.10127	14.3
158.10915	1.8
159.08090	1.7
159.11684	18.4
160.12151	0.3
161.09615	2.2
161.13252	4.0
163.11136	2.2
163.14796	1.0
165.12741	0.5
167.08595	1.1
168.09329	2.3
169.10115	11.1
170.10883	2.4
171.11684	14.9
172.12396	1.4
173.09666	2.2
173.13255	12.6
174.14003	1.2
175.11151	2.4
175.14822	1.8
177.12733	1.2
181.10107	2.2
182.10895	2.8
183.11690	12.8
184.12460	1.7
185.09677	0.6
185.13263	8.1
186.13882	0.4
187.11197	3.4
187.14819	6.7
189.12680	1.8
189.16429	0.5
193.10098	0.5
194.10994	0.3
195.11685	2.1
196.12491	2.3
197.09674	1.8
197.13255	11.2
198.14037	0.9
199.11150	0.6
199.14822	8.3
201.09120	0.4
201.12743	6.3
201.16362	3.0
202.13472	0.5
203.14328	1.2
205.10091	0.5
209.13268	2.3
210.13995	1.5
211.11229	2.8
211.14806	12.2
212.15445	0.5
213.12985	0.6
213.16385	8.3
215.10777	2.1
215.14301	5.8
215.17937	1.2
223.14841	0.9
225.14165	0.4
225.16377	8.4
227.17940	7.2
228.18669	0.6
229.12292	5.0
229.15871	4.6
229.19411	3.8
235.14789	1.3
238.13626	0.5
238.17076	0.8
241.19438	0.6
243.17497	2.0
243.21106	8.3
247.82611	0.3
248.14050	0.3
253.15869	8.3
253.19498	18.2
256.18207	0.3
271.06015	2.8
271.17017	13.4
271.20538	100.0
272.17548	0.3
272.20895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99847	0.4
53.03948	0.4
55.05293	0.4
55.05511	3.7
57.03418	1.3
57.07082	1.9
62.78262	0.3
65.03932	0.4
67.05505	5.1
69.03410	0.6
69.07065	6.7
71.04976	2.1
71.08623	0.7
71.39214	0.5
71.39539	0.6
76.58638	0.4
79.05507	3.6
81.07057	8.5
81.98194	0.3
83.04964	0.6
83.08623	2.6
84.27535	0.4
84.77026	0.3
85.06545	3.4
91.05478	5.6
93.07045	8.0
95.04946	1.2
95.08602	13.2
97.06506	1.0
97.10152	1.0
99.08065	1.2
105.07024	13.3
106.14401	0.4
107.04955	0.5
107.08594	11.2
109.06496	1.7
109.10155	7.6
111.04408	0.8
111.08057	1.3
113.09634	1.8
115.05463	0.5
117.07017	3.6
119.08575	16.5
121.06483	1.0
121.10146	9.1
123.08046	1.8
123.11722	2.1
125.09612	0.7
128.06215	1.3
129.07011	3.7
130.07695	0.5
131.08563	9.2
133.06395	0.6
133.10127	12.5
135.08022	2.2
135.11678	4.8
137.09596	1.7
141.06978	1.9
142.07756	3.1
143.08553	9.7
144.09340	1.5
145.06435	0.6
145.10123	14.7
147.08035	1.4
147.11685	6.7
149.09648	1.8
149.13242	2.1
151.11134	1.1
153.06981	0.5
154.07840	0.8
155.08536	6.5
156.09344	4.3
157.10124	14.3
158.10866	1.8
159.08034	1.3
159.11691	18.6
160.12509	0.4
161.09579	1.9
161.13261	4.8
163.11192	2.4
163.14816	1.1
165.12712	0.7
167.08540	1.5
168.09380	2.1
169.10121	12.5
170.10902	2.3
171.11684	15.7
172.12415	1.1
173.09601	2.6
173.13249	15.5
174.14041	1.2
175.11198	1.9
175.14818	2.0
177.12775	1.8
177.16551	0.4
180.32129	0.4
181.10097	1.9
182.10902	2.3
183.11693	12.7
184.12532	2.4
185.13252	7.4
186.10313	0.6
187.11191	4.0
187.14824	7.9
189.12703	1.9
189.16438	0.8
191.14224	0.8
193.10039	0.5
195.11668	1.5
196.12492	2.6
197.09607	0.6
197.13255	10.5
198.14020	0.7
199.11087	0.6
199.14821	10.0
200.15576	0.5
201.12723	4.3
201.14330	0.5
201.14670	0.4
201.16365	3.4
202.13504	0.6
203.14322	1.2
209.13252	3.0
210.14008	1.8
211.11325	2.7
211.14812	12.1
212.15446	0.9
213.12846	0.5
213.16364	8.8
214.13298	0.4
214.17004	0.5
215.10678	2.3
215.14334	5.6
215.17935	1.5
220.12427	0.7
223.14830	1.5
224.15587	1.1
225.16338	7.9
227.17935	7.1
228.15027	0.5
228.18587	0.8
229.12270	5.1
229.15822	4.0
229.19392	3.7
235.14789	1.6
238.13495	0.6
238.17157	1.2
241.19336	0.5
243.17412	1.6
243.21072	7.2
253.15863	7.6
253.19496	19.2
271.06171	2.6
271.17007	13.4
271.20538	100.0
272.20905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2055
Annotation	17-Methyl-18-norandrosta-4,13(17)-dien-3-one
Peak:m/z	Relative Intensity
51.03279	0.8
53.03932	1.6
55.05510	9.9
57.07061	2.9
67.05501	15.2
69.03417	1.6
69.07065	14.1
71.04977	2.1
71.08616	0.9
71.59242	0.8
71.59618	1.8
73.16893	0.8
77.03905	0.9
79.05484	11.6
79.65395	0.8
81.07054	40.4
83.08608	6.4
85.06536	2.2
91.05473	12.0
93.07042	19.4
94.44621	1.0
95.04965	2.9
95.08604	35.2
97.06517	2.5
97.10175	4.1
105.07032	20.9
105.07679	0.5
107.08592	25.3
109.06522	9.1
109.10149	23.2
111.08051	2.7
111.11703	1.4
117.07027	6.1
119.04908	2.2
119.08585	22.9
121.06497	1.5
121.10143	20.1
123.08090	2.3
123.11706	10.5
125.09634	1.7
129.06995	4.3
130.07777	1.0
131.08571	13.6
133.10130	20.4
135.08031	3.1
135.11681	12.9
137.09581	1.3
137.13232	1.6
141.06960	2.1
142.07774	2.7
143.08562	8.7
144.09305	1.4
145.06500	0.9
145.10118	25.3
147.08012	3.1
147.11697	15.4
149.09604	2.4
149.13271	9.9
153.01903	1.9
153.07048	1.0
155.08548	7.2
156.09288	3.4
157.10112	11.8
159.08043	3.3
159.11685	24.5
161.09610	5.0
161.13251	13.7
163.11163	2.5
163.14821	7.5
163.84891	0.9
165.12738	1.1
167.08592	1.5
169.10150	9.6
170.10956	1.5
171.11668	10.9
173.09612	2.6
173.13252	15.3
173.88145	0.8
175.11238	5.5
175.14810	9.1
177.12672	2.3
177.16389	2.5
181.10110	2.2
182.10873	3.5
183.11685	15.6
184.12433	1.7
185.13261	5.8
187.11235	4.5
187.14841	7.7
189.12759	3.9
189.16367	3.3
195.11639	2.1
196.12473	2.5
197.09586	0.9
197.13255	14.7
198.14099	1.2
199.14743	4.8
201.12779	4.9
201.16418	7.8
202.13672	1.0
203.14258	1.7
209.13190	1.7
210.14023	1.8
211.11185	1.0
211.14841	10.3
213.16397	10.1
215.14409	5.7
215.17911	6.7
223.14833	2.0
225.16383	6.3
227.17940	3.4
229.15845	2.5
229.19513	3.2
238.17281	1.2
243.17377	2.3
243.21107	8.7
253.15865	3.0
253.19505	37.1
255.75070	0.9
271.05997	24.8
271.17117	5.4
271.20554	100.0
271.24158	43.0
272.06390	1.4
272.20837	1.5
276.28323	0.9
277.29700	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09789	1.0
53.03925	3.0
55.01867	3.0
55.05514	37.2
56.96529	1.4
57.03191	1.6
57.03440	21.9
57.07060	3.2
65.03929	2.2
67.05508	52.8
69.03407	4.1
69.07072	36.5
69.36397	13.7
69.44475	1.1
71.04998	9.5
71.08640	1.6
75.22829	1.2
79.05074	1.7
79.05492	23.6
81.07059	86.9
83.04958	5.7
83.08624	19.8
85.02876	2.2
85.06538	9.2
91.05477	22.9
93.06490	2.0
93.07049	32.7
95.04935	3.8
95.08610	100.0
97.02860	3.5
97.06520	16.1
97.10176	8.0
98.97563	4.9
99.04444	2.1
99.08078	4.3
101.06044	1.4
105.06393	2.5
105.07033	32.0
107.04910	1.4
107.08587	19.5
109.02840	2.2
109.06480	3.9
109.09450	2.3
109.10154	27.2
111.08067	5.2
111.11707	2.4
113.05995	2.1
113.09647	2.6
116.98598	3.4
117.07015	1.8
119.04914	2.4
119.07806	2.5
119.08579	33.7
121.10139	21.9
123.08087	8.0
123.11703	7.4
125.09601	1.8
127.03919	1.8
127.07525	1.7
129.07037	1.7
130.07788	1.5
131.08563	8.1
133.10129	26.8
134.99605	1.7
135.08032	1.3
135.11705	16.3
137.05968	2.3
137.09575	3.6
137.13263	7.8
141.06998	1.5
143.08559	2.6
144.09337	1.4
145.09204	1.3
145.10144	13.3
147.11705	11.8
149.13258	6.1
151.11133	1.5
151.14807	2.1
153.06943	4.6
155.08566	3.8
157.10115	4.4
157.77864	1.2
159.11725	9.8
161.11983	2.1
161.13272	33.7
163.14755	5.6
165.06999	9.7
169.06558	1.7
171.11673	3.3
173.13263	8.9
175.14815	7.5
179.14291	14.6
181.06421	3.6
183.08084	7.0
185.13289	2.2
187.14778	5.9
189.16357	5.5
197.13280	2.5
197.15295	1.3
199.14717	1.9
201.16396	8.4
209.69440	1.2
211.07562	6.6
211.11011	1.2
211.14832	2.5
213.16415	1.8
215.17931	9.0
217.19420	2.1
221.05875	1.9
225.16446	2.3
229.19519	1.7
234.00761	1.3
235.16763	1.5
235.20569	2.0
239.03481	2.3
239.07057	3.0
253.17946	2.7
256.07123	2.0
271.05957	21.9
271.09595	21.5
271.12808	1.5
271.14035	2.8
271.19006	77.6
271.24152	61.3
272.10098	2.1
290.40894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00333	1.9
53.03942	5.0
55.01872	5.0
55.05514	33.7
56.96569	4.4
57.03443	26.2
57.07072	5.2
65.03948	3.4
67.05170	3.9
67.05508	55.4
69.03434	5.8
69.07072	39.1
69.86372	9.5
71.05013	15.0
71.08643	2.7
79.05498	28.6
81.03432	2.4
81.07063	93.2
82.07423	2.2
83.04988	7.2
83.08617	22.5
84.96049	2.1
85.02918	2.1
85.06548	12.2
91.05487	27.9
91.06012	2.5
93.07057	33.8
95.04996	8.3
95.08612	100.0
97.02868	3.1
97.06537	16.0
97.10178	8.2
97.10783	1.4
98.97595	7.0
99.04481	2.5
99.08083	8.0
103.05444	1.8
105.07034	39.2
105.07723	1.4
107.08602	24.4
109.02917	2.6
109.06493	9.1
109.10161	28.4
111.04474	2.4
111.08078	4.9
112.99081	2.1
113.09668	1.8
114.50412	1.7
116.98649	6.5
117.07025	5.5
119.04947	6.2
119.08587	40.5
121.06525	3.5
121.10141	16.1
123.08067	4.8
123.11713	11.2
125.09665	2.3
127.07566	3.6
129.07045	2.9
130.17955	1.9
131.00258	2.0
131.07730	2.0
131.08553	11.6
133.10136	27.6
134.99672	6.4
135.08006	2.1
135.11691	15.6
137.09634	3.5
137.13266	7.2
141.06955	3.7
142.07764	2.3
143.08563	4.0
145.06451	2.2
145.10107	13.1
147.08026	2.1
147.11722	11.1
149.01260	2.6
149.05818	1.9
149.13268	8.3
151.11172	2.7
152.06227	2.9
153.01852	2.1
153.06996	11.7
155.08557	8.6
157.06500	2.3
157.10149	9.4
158.99631	3.4
159.08005	3.4
159.11708	18.8
161.01215	3.3
161.13260	39.9
163.14816	3.3
165.07002	23.3
165.09155	2.1
167.08495	1.9
168.05721	3.8
169.06517	3.4
169.10127	6.0
171.08014	3.2
171.11714	5.8
173.09656	4.2
173.13324	13.2
175.11151	3.7
175.14862	8.3
177.00758	3.5
177.16457	2.2
179.14317	15.0
181.06532	5.7
182.11111	2.8
183.08075	15.5
183.11792	4.9
185.13304	2.1
187.11183	3.2
187.14874	9.3
189.16426	3.2
191.02284	3.8
193.06519	5.6
195.11922	2.0
197.05908	2.5
197.09625	2.9
197.13339	3.7
197.15344	3.0
200.08354	2.2
201.16438	5.8
210.06813	2.7
211.07593	13.1
211.11157	2.2
211.14868	6.1
213.16356	3.3
215.10698	2.7
215.18089	8.9
217.19626	2.0
221.06032	2.6
225.12738	2.4
225.16443	4.0
227.14375	2.9
229.11957	1.9
229.15921	4.4
229.57387	4.3
239.07124	4.1
243.10175	3.4
244.99628	2.6
253.15837	6.5
253.17972	3.3
271.06064	36.2
271.09677	40.7
271.16760	17.5
271.19128	58.0
271.24112	52.0
272.10345	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	271.1905
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03936	3.2
55.01870	3.1
55.05515	37.9
56.96555	1.9
57.03443	27.4
57.07069	2.9
65.03957	2.0
67.05509	60.1
69.03428	1.4
69.07074	35.6
70.71680	2.3
70.72046	2.5
71.04996	12.7
71.08652	1.2
76.76257	1.3
79.05502	28.2
81.03424	1.4
81.07063	92.1
83.04987	3.7
83.08624	23.8
85.02897	2.0
85.06541	9.5
87.04473	1.6
91.05486	21.8
93.06468	2.0
93.07054	27.5
95.04965	2.6
95.08614	100.0
97.02882	3.2
97.06544	13.9
97.10174	6.4
98.97594	2.8
99.08088	6.9
101.05980	1.5
105.07048	21.5
107.08598	13.8
109.06519	3.8
109.10165	20.1
109.95917	1.3
111.08086	4.7
113.09726	1.4
116.98634	2.9
117.07011	1.9
119.04966	2.5
119.08587	28.5
121.10144	9.2
123.08080	3.4
123.11718	6.2
125.09646	1.7
127.07578	2.1
131.08565	4.3
133.10147	21.5
135.11694	10.8
137.09644	3.7
137.13278	6.7
143.08652	1.4
145.10121	5.7
147.11729	3.9
149.13304	3.2
153.01781	1.5
153.07025	2.1
155.08586	1.3
157.10118	2.1
159.11714	10.1
161.11964	2.6
161.13266	36.4
163.14961	1.2
164.36160	1.2
165.07001	6.4
168.05725	1.6
169.10136	1.4
173.13283	5.2
175.14841	3.1
179.14340	15.2
181.06487	1.3
182.07317	1.2
183.08057	4.3
187.14809	3.1
197.06097	1.1
197.13289	1.3
197.15382	1.6
201.16396	3.8
204.06639	1.2
211.07588	4.5
211.14809	1.4
215.17934	4.3
253.18124	3.9
271.06046	14.9
271.09653	12.3
271.19064	96.3
271.23941	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	271.1904
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03938	2.8
55.01866	3.2
55.05514	34.2
56.53680	0.9
56.96545	1.0
57.03439	25.5
57.07065	1.5
65.03927	1.8
67.05508	53.6
69.03416	1.9
69.07072	28.7
69.90782	6.0
71.04995	13.4
73.02909	1.4
73.06535	0.9
79.05073	1.1
79.05499	19.6
81.03409	2.3
81.07060	83.9
83.04517	0.9
83.04986	5.6
83.08621	20.6
84.09387	1.1
85.02871	0.9
85.06545	10.0
91.04967	1.7
91.05482	21.7
93.07055	22.0
95.04955	3.5
95.08611	100.0
97.02889	1.1
97.06533	14.3
97.10169	5.3
98.97599	2.2
99.04446	2.6
99.08096	5.5
101.06026	1.3
102.80544	0.9
105.06384	1.6
105.07028	17.1
107.08600	10.8
109.02866	5.7
109.06520	4.3
109.10162	14.4
111.08056	4.4
113.09672	1.0
117.07018	1.0
119.08585	24.4
121.10132	7.3
123.08097	6.0
123.11699	3.0
127.03902	2.9
127.07623	1.2
128.28224	1.1
131.08615	1.4
133.10121	18.2
135.11716	10.1
137.09584	2.9
137.13266	7.5
145.10150	1.6
147.11650	1.2
149.13251	2.5
153.01822	1.0
153.07028	1.6
159.11710	2.1
161.13269	39.0
161.14615	2.1
165.06995	3.1
168.08987	1.0
173.13268	2.1
179.14316	20.8
183.08047	1.2
197.15402	2.6
211.07568	1.7
215.18065	1.1
225.12508	0.9
253.17943	3.9
271.06039	7.3
271.09677	5.4
271.19040	91.3
271.24112	5.5
272.10446	1.1
272.19409	1.1
272.35281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08462	1.3
53.03936	1.9
53.61606	1.5
55.01865	5.8
55.05514	34.2
57.03441	24.1
57.07057	2.9
59.70185	1.7
65.03931	3.2
67.05508	50.9
68.99786	3.6
69.03419	4.0
69.07069	33.2
71.04998	14.1
71.08644	2.0
71.59569	1.9
73.06522	1.6
73.36977	1.9
79.05499	21.6
81.03410	1.9
81.07062	91.4
82.07351	1.5
83.04961	6.1
83.08627	24.6
85.02909	2.0
85.06547	9.7
89.76753	1.5
91.05486	30.3
93.07053	27.8
95.04958	4.6
95.08610	100.0
97.02864	4.7
97.06534	17.0
97.10149	6.8
99.08064	5.6
105.07040	21.9
107.08589	13.7
108.81005	1.7
109.02826	1.7
109.06507	4.4
109.10157	19.9
111.08061	2.4
115.07583	1.6
119.04961	2.0
119.07790	2.5
119.08588	31.3
121.02841	6.6
121.10168	10.7
123.08041	4.4
123.11726	3.3
125.02334	2.9
127.07527	1.9
129.06955	1.6
131.08568	6.4
133.10135	20.1
135.11674	12.0
137.09576	4.2
137.13272	8.8
139.03891	5.9
143.08571	2.7
145.10097	5.0
147.11693	4.6
149.13217	4.3
153.06973	3.6
155.08511	3.1
157.10185	2.2
159.11699	5.6
161.11958	2.9
161.13264	39.7
165.07011	9.0
167.03392	4.4
168.05615	1.8
169.06422	1.6
169.10112	1.8
171.11667	2.6
173.13234	7.0
175.14835	3.2
179.14316	17.2
181.06436	2.2
183.08031	6.3
185.04393	6.4
185.13298	2.2
187.14774	4.9
188.62029	1.5
193.06445	2.7
196.05190	1.9
197.15298	2.9
201.16327	3.2
211.07538	4.7
211.14790	1.7
215.10670	1.7
215.17935	2.4
229.19551	2.1
239.06850	1.7
253.03239	1.8
253.15694	2.1
253.18024	5.5
271.03940	1.9
271.05930	18.4
271.09601	18.2
271.19022	76.5
271.23911	22.5
272.10196	2.6
272.19510	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01862	4.4
55.05511	36.6
55.35038	1.0
57.03440	22.1
57.07058	4.5
65.03924	2.8
67.05506	49.8
68.99798	1.1
69.03426	2.3
69.07070	36.0
69.65709	2.4
69.66118	6.2
71.04996	13.0
73.02913	1.0
73.06551	1.6
79.05492	22.1
81.03388	1.6
81.07058	85.4
83.04968	4.5
83.08620	20.5
85.06548	9.5
91.05482	23.1
93.07046	27.3
95.04961	4.4
95.08608	100.0
97.02909	2.0
97.06541	17.3
97.10182	5.7
99.04457	1.1
99.08091	4.2
105.07027	22.5
107.08603	10.6
109.02869	1.3
109.06535	3.3
109.10149	15.7
111.08109	7.1
117.07007	2.8
119.04890	2.0
119.08578	28.8
120.44682	1.2
121.02838	2.2
121.10152	10.5
123.08064	5.8
123.11721	5.2
124.05061	1.3
125.09603	1.3
131.08548	3.6
133.10138	19.6
135.11705	9.0
137.09615	4.0
137.13260	8.8
139.03918	1.6
140.88628	1.0
141.07004	1.2
143.08562	1.3
145.10104	5.5
147.11685	3.9
149.13268	3.5
151.05504	0.9
153.01891	2.5
153.06987	3.4
155.08537	3.1
157.10133	3.3
159.11658	6.8
161.13258	37.7
161.14586	2.1
163.14824	1.9
165.06976	9.3
168.05672	1.2
171.11690	1.2
173.13225	3.3
175.14839	3.3
178.35010	1.0
179.14325	21.4
181.06488	2.2
182.07207	1.8
183.08087	5.0
183.11732	1.3
185.04460	2.0
187.14832	3.4
189.16432	1.0
193.06496	1.5
196.05254	1.5
197.05852	1.3
201.16396	3.0
211.07626	5.9
215.17950	4.4
217.19685	1.4
221.06033	1.6
225.16275	1.4
243.10126	1.6
243.17471	1.5
253.18056	4.0
270.39554	1.1
271.06015	17.3
271.09616	16.3
271.19055	77.9
271.23868	18.4
272.19296	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
50.01570	0.6
51.54377	0.5
55.05505	1.9
55.58039	0.5
57.07074	1.1
57.48575	0.6
64.86665	0.6
67.05493	2.4
69.07067	3.7
70.62229	1.2
70.62598	1.5
79.05498	2.8
79.39105	0.6
81.05807	1.1
81.07053	4.3
83.08616	1.4
85.06548	0.7
91.05459	2.6
93.05757	0.7
93.07056	2.3
94.06583	1.6
95.08624	3.7
96.08118	4.4
96.08688	0.6
97.02888	0.9
97.06516	0.8
97.10167	1.4
105.07037	3.7
106.06547	2.5
107.08596	3.0
108.08118	14.0
109.10110	3.4
119.08547	3.7
120.08080	1.3
121.10134	1.9
122.09664	1.8
123.11745	1.4
129.06998	1.3
131.08560	2.2
133.10121	2.4
134.06049	1.9
135.11642	1.3
136.07562	1.7
142.07791	0.8
143.08562	1.2
144.08080	1.0
145.10110	2.5
146.09660	1.1
147.11662	2.1
148.07532	0.9
149.13309	1.2
153.01819	1.3
153.07040	0.8
154.06506	1.2
156.08098	0.8
156.09335	0.8
157.10106	2.6
158.09621	1.1
159.08102	1.0
159.11714	2.4
161.13252	1.3
163.14830	1.1
166.07809	1.3
168.08101	4.7
168.09328	1.0
169.08881	5.3
169.10147	0.9
170.09698	1.0
171.09140	1.4
171.11702	1.0
172.07573	2.7
173.13321	2.0
174.09151	2.4
175.14844	1.1
181.10089	1.9
182.06004	0.8
182.09654	2.2
183.10419	5.5
183.11739	1.8
185.07074	0.8
185.10750	2.2
186.09175	0.9
186.11520	2.0
187.14854	1.4
196.07578	5.1
197.08359	12.1
197.13451	0.7
198.09251	3.3
198.12776	7.3
199.08643	10.8
199.12283	2.3
200.13077	1.5
201.16362	1.0
204.08864	0.7
208.11139	1.3
210.09160	2.6
210.11325	1.0
211.09911	19.6
211.14799	0.6
213.10219	14.9
214.10973	5.2
215.15430	5.7
215.17680	1.3
225.13867	1.2
226.12280	41.8
227.08263	1.2
227.11790	15.1
228.12567	29.5
229.12576	0.9
238.10976	1.2
239.11862	1.0
241.09680	2.2
242.10533	1.7
243.14932	26.4
253.13318	6.4
253.15715	1.2
253.19443	0.8
254.11823	2.3
255.11281	9.5
256.12088	15.4
271.06097	17.8
271.14417	100.0
271.20599	3.8
271.24088	9.4
272.14749	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.5
56.96289	2.6
56.96563	41.6
57.03446	2.1
60.08155	4.8
69.03423	3.6
70.06570	3.8
71.58195	1.8
72.96048	2.3
73.02937	1.4
74.97630	1.4
79.05516	1.5
81.07047	2.9
83.06102	2.0
84.08137	2.5
84.96030	1.9
85.02890	4.2
86.09720	9.2
95.06084	5.6
96.06396	2.2
97.02881	4.4
98.97582	68.0
103.34286	1.6
108.08144	2.5
109.02869	2.2
109.08427	2.1
110.06021	2.5
110.07154	11.4
111.07478	3.2
113.10735	1.9
116.98622	69.2
119.01877	3.5
125.01634	1.8
126.02316	1.9
127.03905	2.6
134.01219	3.3
134.99661	56.8
139.05013	1.6
139.06039	2.0
140.00139	1.9
141.04062	1.7
142.26471	1.5
143.00163	3.6
144.03313	1.8
148.00874	1.4
153.00665	7.5
158.01231	3.4
158.04887	4.6
158.99690	2.3
160.06432	7.7
161.01201	3.5
168.05855	1.7
170.04819	1.6
173.02957	2.0
176.05928	3.0
176.31155	1.5
177.00809	4.3
178.07549	2.8
180.12245	2.2
182.03320	2.1
184.04955	3.0
184.08998	14.6
185.09833	1.6
188.05954	6.6
189.04343	16.2
191.03870	6.7
201.00668	2.1
206.07033	7.1
207.05405	14.5
212.06181	1.6
212.14694	2.9
224.08073	19.3
225.14200	8.5
228.08005	2.8
230.06993	27.3
231.05371	2.6
248.08060	100.0
263.14896	1.9
266.09100	12.6
271.06097	8.6
271.09613	5.5
271.14902	17.8
272.16101	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	271.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.8
55.01867	1.3
55.05502	2.0
57.03437	1.8
57.07075	1.3
67.05480	1.2
67.69231	0.6
69.03429	19.2
69.07092	0.9
69.77345	4.6
71.04989	4.8
73.02919	11.2
79.05461	1.2
81.03417	32.7
81.07052	3.0
83.04980	1.3
83.08616	1.7
85.02908	10.1
85.06549	0.8
87.04472	2.1
90.10406	0.8
91.05478	1.9
93.07035	0.7
95.04971	0.6
95.08605	0.9
97.02892	13.3
97.10167	1.0
98.20818	0.8
98.97607	0.9
99.04454	29.1
99.05109	1.5
103.03949	4.7
105.07026	2.1
107.08595	1.6
107.27165	0.7
109.02878	100.0
109.10152	2.0
111.11752	0.7
116.98663	1.6
117.06996	0.8
119.04925	1.2
119.08562	1.4
121.06535	0.7
121.10096	1.0
123.08073	1.1
125.09646	1.4
127.03914	50.6
133.10098	1.7
135.08090	0.9
135.66806	0.7
137.15198	0.7
143.10625	0.8
145.04977	3.2
145.06538	0.8
145.10110	1.1
147.11713	1.2
153.06955	1.5
159.11639	1.2
165.07059	0.9
169.05023	1.8
170.09673	0.8
183.08124	1.0
191.07002	1.1
209.08134	1.7
223.68422	0.8
235.06131	1.1
250.14418	0.7
253.07118	2.3
253.15793	0.9
259.98462	0.7
271.05704	9.3
271.08395	4.0
271.10367	1.0
271.17212	0.9
271.20352	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03740	0.9
53.03945	11.3
55.01871	1.7
55.05497	3.6
55.45763	0.8
56.96559	1.7
57.03430	3.4
57.07065	3.0
59.04988	1.0
60.28363	0.9
67.05507	7.8
69.03428	31.1
69.07063	4.8
70.06574	2.0
71.01335	1.4
71.04986	14.1
71.57498	1.3
71.57980	1.7
73.02915	9.7
79.05494	6.7
81.03418	35.9
81.07058	9.0
81.92313	0.8
83.04987	5.3
83.08625	2.2
85.02433	1.3
85.02904	20.0
85.06528	1.8
86.09697	1.3
86.46964	0.8
87.04458	2.4
91.05476	6.8
93.07037	8.3
95.04945	3.2
95.08614	7.7
97.02901	14.7
97.06517	1.8
97.10158	1.1
98.97591	1.3
99.04450	35.0
99.08082	1.6
103.03941	6.6
103.05472	1.2
105.07018	5.8
105.68339	1.0
107.04916	2.1
107.08598	7.8
109.02877	100.0
109.06504	6.2
109.10152	3.7
111.04408	1.7
111.08065	1.4
113.02309	1.9
115.05473	1.2
116.98595	1.7
117.07020	2.2
119.04955	1.8
119.08575	5.0
121.02914	1.2
121.06544	2.1
121.10165	4.4
123.08051	3.2
123.11710	1.9
127.03913	66.1
129.05470	1.0
129.06992	2.1
131.08562	4.4
133.06482	1.7
133.10115	4.0
135.08064	2.0
135.11685	1.9
137.05983	1.7
141.06998	1.2
143.08549	1.6
145.04944	5.3
145.06378	1.5
145.10086	2.5
147.08063	2.0
147.11653	2.9
149.09590	1.4
153.01793	1.5
153.06984	1.5
153.12743	1.1
155.08553	1.6
157.10126	2.8
157.91193	1.0
159.11655	2.4
161.13251	1.5
163.07507	1.1
165.06973	4.0
169.04980	2.6
171.11649	2.4
173.13220	1.0
175.11180	1.9
175.14767	1.2
177.00659	1.2
181.06490	1.4
182.08374	1.4
183.08023	3.1
183.11690	1.2
189.12828	1.3
197.01131	1.0
207.13699	1.4
209.08060	2.3
211.07555	3.0
211.11069	1.0
217.12296	2.9
227.02242	1.6
235.06018	1.7
235.13318	3.3
250.06133	1.1
253.07112	2.5
253.19345	1.0
271.05725	10.6
271.09613	6.5
271.17126	1.9
271.20407	3.2
271.24155	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.3
56.96330	7.0
56.96568	76.4
57.03418	21.7
57.07060	25.1
59.05004	6.5
61.02914	15.1
67.05492	22.1
69.03412	35.6
69.07085	14.3
70.06575	15.7
71.04967	8.3
71.08627	6.1
71.58359	10.3
71.95238	6.3
73.02923	14.4
73.06537	12.5
75.60612	5.7
79.05485	24.8
81.03442	13.9
81.07034	20.4
83.04983	6.0
83.08652	7.1
84.04523	6.1
84.96023	9.8
85.02897	43.5
85.06561	6.3
86.03276	11.2
87.04475	9.0
89.03938	6.3
91.03986	5.4
91.05476	19.9
92.36876	6.0
93.07024	17.4
95.04947	20.9
95.08600	22.6
97.02921	35.4
97.06536	6.6
97.10191	11.6
98.97585	55.3
99.04465	7.2
99.08037	5.8
105.07032	15.3
107.08560	11.7
109.02894	14.3
109.10159	15.4
115.03962	7.1
116.98627	49.7
119.01889	10.5
119.04935	16.3
119.08590	13.5
121.10124	6.6
123.04435	100.0
127.03912	24.6
128.02321	17.1
128.98595	17.2
133.10147	9.6
134.99648	41.1
135.04427	7.5
136.06201	7.6
137.05867	7.5
139.05049	51.8
140.03427	32.6
143.00165	10.7
144.73460	6.3
145.04962	9.5
145.10101	8.7
146.99637	28.6
147.04378	34.3
148.04773	6.6
149.01222	7.3
153.00748	6.9
158.99721	14.0
161.01210	36.9
161.04710	9.6
162.99152	12.0
163.03900	38.6
165.00697	11.1
165.05467	32.9
170.10989	7.8
170.99649	10.5
172.95334	7.6
177.00702	30.1
177.05850	7.9
184.02998	11.0
185.01265	6.2
187.02731	6.6
189.00705	20.0
190.96326	9.0
190.98648	20.6
191.02026	8.5
191.03804	8.1
199.05417	18.2
201.00696	9.2
202.54593	6.7
205.00174	22.4
206.06204	13.5
208.99600	8.5
217.19540	6.8
219.01837	18.5
223.01222	30.9
232.99602	9.0
237.02852	21.6
247.01268	15.1
249.02898	10.4
249.05304	7.0
267.03830	12.9
271.06073	96.1
271.13284	6.7
271.16696	12.0
271.20187	10.4
271.26501	10.7
285.04883	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	270.279
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
53.03954	0.3
55.05269	0.5
55.05511	6.8
56.05029	0.6
57.07061	1.0
58.06599	8.3
67.05504	10.6
68.05811	0.4
69.03384	0.4
69.07066	8.0
70.06580	0.3
70.22460	0.6
70.22873	0.8
71.08611	0.5
72.08154	0.6
73.82252	0.3
77.50544	0.3
79.05491	0.9
81.07057	11.4
82.07390	0.6
83.08616	3.1
85.06558	0.4
91.05434	0.3
93.07029	1.2
95.08607	10.6
96.08938	0.5
97.10204	1.5
98.09688	9.3
98.20832	0.4
105.07016	1.0
107.08578	0.5
109.02866	0.3
109.06478	0.7
109.10159	4.7
111.08045	0.3
112.11249	0.4
114.28504	0.3
119.08574	0.6
121.10120	0.5
123.11710	1.3
131.08537	0.5
133.10129	0.8
145.10103	0.6
147.11714	0.4
148.11967	0.4
153.07037	0.4
159.11713	0.6
164.50975	0.2
172.12088	0.3
182.19072	0.8
187.14821	1.2
199.14771	0.6
205.15973	2.0
211.07385	0.3
214.16628	0.4
217.15918	0.4
235.16890	2.0
252.26865	23.8
253.17972	0.4
253.27292	0.5
270.27911	100.0
271.06018	1.3
271.09814	0.4
271.20755	0.3
271.28238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
53.46592	1.5
55.01852	1.9
55.05506	16.6
55.81021	1.5
57.03423	4.2
57.07053	1.9
58.55602	1.7
63.24986	1.5
67.05502	60.4
69.07065	20.1
70.52039	6.2
71.04983	5.2
71.12759	1.5
76.03998	100.0
79.05490	30.7
81.03407	2.3
81.07050	86.1
82.07383	3.3
83.04958	5.5
83.08618	16.6
85.06528	5.2
91.05469	23.9
93.07038	54.5
94.07384	2.3
95.04966	5.8
95.08610	19.9
97.06535	7.6
97.10181	2.9
98.97578	2.6
99.08075	2.8
105.07024	8.8
107.08591	25.8
109.06518	3.7
109.10155	5.6
111.08083	6.5
116.98559	2.2
117.06984	9.7
119.08578	3.5
121.10130	9.0
123.11699	7.7
131.08589	10.8
133.10118	21.2
134.99612	1.8
135.08000	2.5
135.11685	17.1
140.97194	1.6
147.11768	2.2
149.13240	39.0
151.11227	3.5
159.11702	25.8
160.12004	2.1
177.12730	17.6
193.02206	1.8
195.13795	45.0
196.17070	2.6
211.07562	2.5
213.14905	12.1
224.16476	17.4
227.06873	2.3
233.55376	1.6
252.15976	15.7
255.06271	2.2
259.19293	2.0
270.08783	3.6
270.16980	19.2
270.23044	2.3
271.05963	6.1
271.09616	3.0
271.12259	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2837
Annotation	6,10,14-Trimethyl-2-pentadecanone
Peak:m/z	Relative Intensity
55.05510	49.8
56.23634	1.1
56.96560	1.5
57.03438	1.4
57.06785	1.9
57.07075	58.2
67.05507	7.3
69.07066	100.0
71.04995	1.2
71.08632	39.1
79.05482	3.7
81.07059	13.0
83.04997	1.4
83.08617	73.2
84.08924	1.0
85.10184	20.9
85.19025	1.1
91.05467	3.3
93.07044	6.5
95.08609	12.7
97.06533	1.7
97.10168	54.4
105.07023	4.8
107.08594	6.3
109.10141	7.6
111.11716	29.5
113.13256	1.1
117.06989	1.2
119.08578	7.9
121.10136	6.2
123.11698	2.0
125.13251	11.3
131.08562	2.7
133.10127	4.2
135.11632	3.3
136.06171	1.3
137.13216	1.8
139.14830	2.6
142.07802	1.6
143.08537	3.4
145.10144	4.4
147.11674	2.6
149.13225	2.9
157.10133	5.6
159.11690	7.6
161.13187	2.6
169.10129	2.1
171.11665	4.9
173.13243	6.5
175.02818	3.0
175.14806	1.9
185.13245	4.2
187.14796	2.0
191.17847	1.3
193.03848	1.5
195.11839	1.3
199.14774	7.0
202.06784	1.1
209.19092	1.2
212.15712	1.1
213.16449	6.2
227.17897	1.7
229.76588	1.2
241.19536	1.3
251.17952	1.2
269.15265	1.4
269.18973	4.1
269.22641	31.6
269.24924	1.2
269.28424	1.2
270.22861	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.05513	55.1
57.03429	4.5
57.07077	58.6
67.05506	25.1
69.07068	100.0
71.08629	39.2
71.58665	1.9
71.59145	2.4
79.05494	11.0
81.07059	39.6
83.04986	7.5
83.08620	74.3
85.06542	2.7
85.10188	19.4
91.05491	7.0
93.07043	25.8
95.08598	26.5
97.06538	12.0
97.10170	55.9
99.08083	3.0
105.07042	5.7
107.08590	20.6
109.10162	11.4
111.08106	6.0
111.11728	29.9
115.07623	3.5
117.07030	4.7
119.08596	3.2
121.10140	19.7
123.11736	10.8
125.09657	3.9
125.13278	13.1
127.11180	3.0
131.08572	2.3
133.10202	4.3
135.11702	22.8
137.13278	5.9
139.11189	4.5
145.10138	3.9
149.13246	15.5
157.10161	3.4
159.11700	8.1
160.69537	2.1
163.14848	7.2
167.14331	4.0
171.11690	4.1
173.13179	3.1
178.74300	2.0
184.89383	1.9
185.13245	4.4
199.14833	4.2
213.16589	2.4
219.21083	31.1
227.18044	2.7
235.95847	1.8
237.22131	21.2
241.19513	3.0
251.20091	4.6
269.11456	2.2
269.19138	7.7
269.22617	18.5
269.24472	3.1
269.25089	4.8
289.88684	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05513	10.4
55.08498	1.0
56.96553	2.2
57.03394	1.1
57.07075	6.3
67.05508	8.3
69.07071	16.0
71.04974	1.0
71.08625	2.4
71.59460	0.8
71.59856	1.5
72.40911	1.1
76.34798	0.9
79.05489	6.5
81.07052	18.6
83.04958	2.3
83.08622	6.9
85.06499	0.9
85.10187	1.6
91.05478	6.9
93.07047	11.7
95.04939	1.3
95.08604	18.8
97.06554	1.1
97.10165	6.0
105.07023	10.5
107.08594	13.6
109.10152	12.1
111.11698	3.3
117.07025	3.3
119.08575	19.1
121.10136	8.8
123.08135	1.2
123.11661	5.1
125.13285	1.3
129.06995	3.3
131.08566	16.5
133.10132	14.3
135.11641	4.8
137.09550	1.1
137.13177	1.0
142.07750	3.0
143.08549	10.0
144.09315	1.4
145.10118	15.9
147.11665	10.2
149.13246	3.3
155.08539	1.5
156.09334	4.0
157.10124	19.2
158.10864	1.6
159.11688	17.6
161.13264	9.0
163.14871	2.0
169.10103	2.5
170.10898	3.2
171.11697	20.1
171.13127	1.7
173.13263	15.6
175.02795	2.2
175.14801	5.9
177.12852	1.3
183.11763	2.4
184.12485	1.5
185.13257	15.3
186.14027	1.9
187.14822	8.4
189.16391	1.2
193.03784	1.9
197.13292	1.4
199.14822	18.7
200.15416	1.4
201.16342	2.7
211.14787	1.5
213.16376	15.4
227.17865	7.7
241.19478	4.3
251.17931	1.1
251.20157	1.5
254.20290	1.2
269.22632	100.0
270.22775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2263
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
50.92972	0.5
54.54517	0.5
55.05509	3.2
57.07059	1.6
60.15864	0.5
67.05505	4.0
69.07067	7.2
70.57302	0.5
70.98437	1.2
79.05472	2.1
81.07059	7.7
83.08630	2.8
91.05487	2.9
93.07053	5.8
95.08051	0.9
95.08610	11.4
97.10169	0.9
105.07035	8.0
107.08599	8.4
109.10159	10.2
111.11710	2.8
117.07008	1.9
119.08578	12.9
121.10152	6.6
123.11715	4.3
128.06183	0.5
129.06998	2.2
130.07841	0.7
131.08591	4.6
133.10127	9.1
135.11652	3.2
137.13249	0.9
142.07796	1.4
143.08554	6.9
144.09363	0.7
145.10124	8.1
147.11697	6.5
149.13248	1.8
153.51280	0.5
155.08580	0.7
155.89481	0.5
156.09334	2.5
156.36346	0.5
157.10129	12.5
158.10847	1.0
159.10432	1.0
159.11693	13.3
161.13269	8.8
163.14812	1.7
169.10155	0.9
170.10921	1.5
171.11696	12.7
173.13261	12.5
175.14818	4.6
183.11668	0.8
184.12518	0.7
185.13258	10.5
187.14836	5.8
189.16432	1.2
197.13261	1.0
198.13942	0.7
199.14835	15.8
200.15495	1.0
201.16389	1.2
211.14679	0.7
212.15598	0.6
213.16374	16.7
214.16930	1.0
223.17358	0.6
226.17142	0.8
227.17938	6.8
241.19485	3.4
262.32608	0.5
269.22635	100.0
270.22940	1.1
278.31900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2265
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
55.05514	6.0
55.74297	0.9
56.96553	2.6
57.07064	3.9
57.17128	1.1
67.05503	7.3
69.07072	9.5
70.85209	1.0
71.08644	1.3
71.60680	2.5
79.05479	3.6
81.07059	10.4
83.04980	2.3
83.08604	3.4
84.44569	1.0
91.05471	4.7
93.07041	7.8
95.08040	1.9
95.08604	15.9
97.10179	2.5
105.07027	10.5
107.08602	9.2
107.65886	0.9
109.10148	9.4
110.44606	1.1
111.11668	1.1
117.07008	1.4
119.07806	1.4
119.08593	20.1
121.10152	9.2
123.11695	4.6
124.15744	1.0
129.06985	1.7
131.08595	5.2
133.10121	9.5
135.11710	2.9
135.14392	0.9
137.13258	1.6
142.07773	2.0
143.08577	7.6
144.09352	2.4
145.10118	10.8
147.11708	6.2
149.13268	3.4
156.09354	3.8
157.10141	13.8
158.10905	2.6
159.11690	19.6
161.13229	6.7
163.14821	2.0
170.10892	2.0
171.11699	13.9
172.12457	1.6
173.13300	15.1
175.02791	2.9
175.14763	3.3
183.11678	1.8
184.12444	1.4
185.13251	13.8
187.14812	7.5
199.14812	16.0
201.16444	1.3
211.14658	1.3
213.16394	17.5
216.18202	1.0
227.17944	6.2
239.17931	2.2
241.19508	4.2
246.59180	1.0
247.45747	1.0
251.20151	1.7
267.94339	1.2
268.12433	1.0
269.15616	2.1
269.19284	3.6
269.22647	100.0
270.22928	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2262
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
55.05510	7.3
57.03454	1.9
57.07057	3.3
67.05502	14.3
69.03410	1.0
69.07064	10.5
70.15907	3.1
71.04994	1.4
79.05483	9.0
81.07052	24.3
83.04954	1.6
83.08622	6.0
83.13734	0.8
85.06520	1.0
91.05480	8.1
93.07040	17.5
95.04980	1.7
95.08600	18.2
97.06512	1.8
97.10146	2.1
101.06038	1.1
105.07025	15.9
107.04919	0.8
107.08590	16.3
109.06548	1.5
109.10152	11.5
111.08057	1.8
112.23248	0.9
117.07008	4.4
119.08575	18.2
121.06503	1.0
121.10147	13.0
123.11677	7.9
128.06226	1.5
129.05466	1.2
129.06979	2.9
130.07770	1.1
131.08565	13.9
133.10109	12.4
135.11690	5.1
142.07777	1.9
143.08545	8.8
144.09312	1.4
145.10110	18.3
147.11688	10.8
149.05928	1.3
149.13242	7.0
151.11142	1.2
156.09329	3.4
157.10114	14.8
158.10878	1.7
159.10445	1.5
159.11691	22.2
161.13245	11.6
163.14832	1.1
167.06992	3.2
169.10107	0.9
170.10925	1.7
171.11697	15.2
172.12494	1.0
173.13257	13.9
175.14827	7.0
177.05443	6.6
177.12694	2.0
183.11678	1.3
184.12430	1.0
185.13284	12.4
187.14827	7.4
188.15440	0.9
189.16331	1.8
195.13745	1.6
198.14182	0.8
199.14813	13.4
201.16377	3.7
209.07919	0.9
213.16357	15.0
214.17041	0.8
227.17921	5.9
233.15353	1.2
241.19479	3.2
269.04703	1.1
269.17798	3.2
269.22626	100.0
270.22882	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01854	3.2
55.05262	2.1
55.05506	27.8
57.03435	14.4
57.07071	8.8
58.06590	2.7
65.03929	2.6
67.05502	75.0
67.98382	1.8
69.03422	4.1
69.07063	28.5
71.04993	12.9
71.08650	2.1
71.59657	3.4
79.05060	2.8
79.05489	38.7
81.07053	100.0
83.04984	14.1
83.08615	19.3
84.62459	1.9
85.06521	11.9
91.05480	24.8
93.06465	3.2
93.07041	55.3
95.04951	7.8
95.08605	75.1
97.02874	3.5
97.06534	12.3
97.10161	5.6
99.08084	7.6
105.07024	24.8
107.08580	36.0
109.06527	4.3
109.09451	3.5
109.10148	36.8
111.04429	8.5
111.08054	7.8
113.09689	3.0
117.07019	9.7
119.08570	26.0
121.06518	2.9
121.10139	28.1
123.04401	3.1
123.08049	3.8
123.11710	14.9
129.06966	5.2
131.08553	12.7
133.10126	28.7
135.08044	2.7
135.11682	23.9
137.09552	2.7
137.13235	5.1
142.07762	3.2
143.08553	7.7
144.09238	2.1
145.10110	19.7
147.11656	14.7
149.05981	4.5
149.09653	3.7
149.12173	2.9
149.13255	32.9
151.11160	7.4
155.08549	2.4
156.09315	2.4
157.10115	10.6
159.11671	25.3
161.13255	10.2
166.70235	2.2
167.07021	2.4
169.10109	1.8
171.11679	8.0
173.05864	1.7
173.13235	10.6
175.14957	4.1
177.05463	6.0
177.12744	3.7
179.08649	1.9
181.10097	2.6
185.13213	8.8
187.14812	5.1
191.14333	2.7
195.11678	2.1
195.13805	8.2
199.07532	1.8
199.14832	10.2
211.14845	2.2
213.16383	12.7
215.17903	13.4
226.42400	1.9
227.17903	5.8
233.19003	11.1
251.20068	24.1
251.25583	16.6
269.14825	15.6
269.17667	20.0
269.22607	68.7
269.26666	32.3
270.09561	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	269.1901
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
52.40645	3.1
53.03946	3.1
55.05511	16.9
56.96567	19.3
57.07067	9.7
67.05509	36.3
69.03429	7.7
69.07073	22.6
70.17357	14.4
71.04984	6.0
77.04679	2.9
79.05497	21.6
81.07059	29.7
83.04995	15.8
83.08611	8.1
91.05464	34.3
92.56120	3.4
93.07061	31.5
95.04963	25.6
95.08611	50.4
97.06536	12.8
97.10201	4.1
105.07040	41.7
107.04926	3.5
107.08583	36.0
109.06514	9.0
109.10178	17.5
111.08094	6.4
111.09224	2.9
115.05496	3.9
115.65368	2.9
117.07024	10.3
119.06069	2.8
119.08581	53.0
121.06503	5.3
121.10143	23.9
123.08086	12.2
123.11704	6.5
125.09638	2.9
128.06216	6.9
129.07018	17.4
130.07817	4.8
131.08572	42.3
133.10130	44.8
135.07991	6.8
135.11771	5.0
136.06200	3.8
137.09627	4.9
141.06961	6.0
142.07813	10.6
143.08582	30.1
144.09409	6.9
145.10144	46.4
147.08070	7.0
147.11682	14.4
149.09535	3.0
155.08531	10.8
156.09369	17.0
157.01691	3.2
157.10147	37.5
158.10902	13.1
159.11679	28.2
160.12492	4.2
161.09613	6.2
161.13268	6.7
166.07738	2.8
167.08542	3.2
168.09395	6.3
169.10115	15.6
170.10944	14.2
171.11713	48.3
172.12418	5.8
173.09712	3.9
173.13266	41.3
175.02783	44.3
175.11195	9.0
179.08533	3.6
181.10181	6.2
182.10890	3.5
183.11757	13.3
185.09669	3.9
185.13266	47.3
186.14075	9.1
187.11246	4.9
187.14873	16.0
189.12729	5.3
193.03844	23.7
193.10211	4.3
194.10944	6.4
195.11708	7.3
196.12503	3.6
197.13300	9.3
198.04372	9.2
199.11226	10.3
199.14844	18.3
209.13309	10.3
211.11292	4.8
211.14838	18.3
213.12714	17.9
213.16306	6.5
216.05452	5.7
221.13370	3.2
227.14346	7.7
236.15471	3.1
241.19522	11.1
251.17982	10.4
269.12823	10.8
269.15680	5.9
269.19034	100.0
269.22595	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	269.1901
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
53.03934	0.9
55.01871	0.9
55.05516	3.8
55.56390	0.4
56.96555	0.6
57.03442	0.7
57.07061	1.2
65.03944	0.5
67.05174	0.7
67.05507	12.5
69.03427	2.0
69.07072	3.8
71.04987	0.5
79.05487	4.4
81.07058	12.3
83.04980	1.2
83.08618	1.5
85.06546	0.5
91.05469	4.7
93.06550	0.8
93.07053	9.3
95.04969	1.6
95.08607	29.3
97.06559	1.4
97.10149	0.9
105.07029	9.4
107.08594	6.5
109.06514	1.2
109.10158	3.4
111.08056	0.9
117.06994	1.8
119.08579	8.3
121.10157	4.9
123.08072	21.4
123.11707	0.7
125.09626	1.7
128.06216	0.9
129.07014	2.2
130.07814	0.6
131.08572	4.5
133.06485	0.8
133.10146	7.1
135.08049	1.3
135.11673	1.4
137.09656	0.9
141.09108	7.6
142.07784	2.3
143.08563	5.1
145.09039	0.9
145.10138	11.0
146.10909	0.7
147.11707	3.9
149.09642	1.4
149.13263	0.8
155.08551	2.4
156.09348	3.0
157.06476	0.7
157.10141	11.4
157.11429	0.6
158.10881	0.9
159.08070	1.0
159.11687	9.3
161.09587	1.7
161.13164	1.0
163.11140	0.6
163.14961	0.5
167.08539	0.8
168.09393	0.7
169.10143	3.7
170.10977	1.4
171.08003	1.5
171.11691	10.1
173.09648	2.1
173.13274	3.0
175.11197	1.8
175.14778	0.7
179.08533	1.0
180.09367	0.6
181.06543	0.6
181.10107	3.1
182.11031	0.6
183.11728	4.3
185.09627	2.5
185.13235	4.9
187.11197	2.3
187.14877	1.1
189.12769	0.7
193.10112	0.6
194.10878	1.0
195.11699	8.4
196.12431	1.1
197.13167	2.5
199.11182	3.5
199.14838	6.4
201.12750	1.0
203.90817	0.5
207.11700	0.7
208.12343	0.6
209.13300	5.7
210.14053	1.0
211.14838	2.7
213.12737	5.3
213.16406	1.4
215.17938	0.6
217.17436	0.5
221.13187	0.8
222.13976	0.6
223.14774	2.5
225.16409	5.1
226.17273	0.5
227.14351	2.7
227.17944	5.1
229.20186	0.6
236.15602	1.8
239.14262	0.8
241.15930	1.5
241.19469	3.3
251.17990	10.9
251.20190	0.9
254.16730	0.7
269.19028	100.0
269.22403	5.0
270.19336	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	(-)-Pereniporin A
Peak:m/z	Relative Intensity
53.03945	4.1
55.01872	9.1
55.05508	17.8
57.03448	16.5
57.07067	6.9
57.74536	2.6
59.05002	4.4
61.02927	12.9
67.05511	37.3
69.03439	34.7
69.07071	24.3
69.78888	20.7
71.04994	6.2
73.02918	4.1
79.05492	35.4
81.03413	8.7
81.07057	100.0
81.07525	6.7
83.04982	17.6
83.08616	7.4
85.02891	16.6
85.06548	3.9
87.04465	15.7
91.03967	7.4
91.05478	29.6
93.07050	61.9
95.04970	13.0
95.08606	50.3
97.02888	16.7
97.06538	8.7
97.10168	4.7
99.04474	6.0
99.08139	4.6
105.07036	52.8
107.04974	3.7
107.08598	51.1
109.06511	12.4
109.10159	20.1
111.04458	7.5
111.08099	8.5
115.03932	18.2
117.06986	15.0
119.08588	47.9
121.06518	6.5
121.10155	35.0
123.08074	14.4
123.10936	3.7
123.11745	33.9
123.81786	3.2
125.06024	3.7
128.06216	5.6
129.05458	3.9
129.07043	9.8
131.08574	23.9
133.04979	16.2
133.06508	4.2
133.10144	32.1
135.08044	6.3
135.11702	56.4
137.09639	7.1
137.13266	7.7
137.50424	2.8
139.11182	3.8
142.07784	4.9
143.08540	17.2
145.06558	3.9
145.10129	30.1
147.08018	7.4
147.11707	25.2
149.09669	5.8
149.13249	31.0
151.07515	4.1
151.14836	3.1
155.08495	6.7
156.09291	3.6
157.10118	20.8
159.06590	3.8
159.08034	6.9
159.11716	27.4
161.09604	6.5
161.13281	32.5
163.07602	2.8
163.11182	6.0
163.14832	4.3
165.09155	5.8
165.12746	6.2
167.08615	3.6
169.10150	8.6
171.10335	4.7
171.11656	18.0
173.09564	6.9
173.13274	11.2
175.14867	12.3
177.09193	5.6
177.12753	18.4
179.14342	14.4
183.11736	3.7
185.09589	3.7
185.11842	3.1
185.13258	19.2
187.14836	14.1
191.10616	3.4
193.15950	6.0
195.13849	5.8
197.13310	10.0
199.14861	9.7
203.14320	17.4
205.15884	8.4
207.13794	5.7
213.16417	5.1
215.12569	3.4
215.14310	21.0
221.15369	45.1
223.14822	3.3
227.18011	5.8
233.15356	47.5
239.16522	8.6
251.16350	41.9
269.11691	4.2
269.17465	53.2
269.19308	28.5
269.22696	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1751
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03942	3.8
55.01866	3.6
55.05310	1.3
55.05515	14.3
56.96555	1.5
57.03440	17.0
57.07065	3.5
58.20798	1.2
59.05007	1.7
65.03931	1.5
67.05506	21.5
68.69702	1.3
69.03440	13.3
69.07069	23.5
71.03172	1.2
71.04999	7.4
71.60413	2.2
79.05496	29.1
81.03409	5.2
81.07059	50.7
82.04213	1.8
82.07396	1.5
83.04980	7.6
83.08620	10.4
85.02895	3.4
85.06546	76.8
86.09703	4.3
87.04475	2.5
91.05489	16.2
93.07048	65.9
95.04987	9.6
95.08614	43.1
97.02883	3.2
97.06538	19.1
97.10147	4.0
98.97555	1.7
99.04453	2.2
99.08099	5.9
101.06072	1.6
103.03920	2.6
105.07039	17.3
107.04935	1.6
107.08600	31.1
109.06510	5.7
109.10160	9.2
111.04421	1.9
111.08083	17.5
112.08411	1.3
113.05992	2.1
115.03893	1.5
116.98605	2.2
117.07014	4.5
118.10062	1.2
119.08595	17.4
121.06458	3.3
121.10147	52.1
123.08063	7.2
123.11694	6.5
125.09660	2.3
127.07572	3.3
131.07010	4.9
131.08582	7.8
133.10126	8.4
135.08054	4.2
135.11711	7.0
137.09616	6.0
137.13243	1.9
139.07510	8.8
139.11159	3.3
141.09114	7.2
142.07695	1.5
143.07025	21.2
143.08498	3.7
144.09322	2.5
145.10117	6.5
147.11661	5.6
149.09602	4.7
149.13263	27.6
151.07547	2.0
153.12857	1.3
157.10109	7.2
159.11685	19.2
161.13272	3.8
165.12703	2.6
167.08434	1.4
167.14340	3.9
169.08592	6.7
171.11681	4.2
173.13289	2.7
175.14833	1.9
177.00824	1.9
177.12756	24.9
183.11639	1.3
185.13268	3.1
187.14754	3.5
195.12253	1.6
195.13765	8.9
199.14789	3.9
209.11722	5.2
211.14816	1.7
213.16498	3.1
215.17957	1.9
227.06967	1.5
227.17854	2.6
233.15353	3.1
236.01350	1.5
251.16281	2.6
251.20061	4.5
269.13885	4.0
269.17453	100.0
269.22296	20.4
270.17819	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Elongatol D
Peak:m/z	Relative Intensity
53.03938	6.7
55.01876	15.5
55.05511	21.3
56.96569	4.3
57.03436	18.1
57.07073	13.6
59.05026	5.2
61.02925	27.2
67.05505	37.0
69.03439	44.7
69.07088	31.5
69.79023	32.9
71.04990	11.8
73.02940	5.4
79.05488	40.7
81.03430	6.5
81.07063	100.0
83.04987	18.9
83.08627	12.5
85.02914	26.6
85.06565	8.4
87.04475	26.7
91.03984	9.3
91.05499	29.8
93.07053	77.9
95.04963	17.1
95.08615	71.8
97.02907	42.1
97.06548	23.0
97.10175	5.0
98.20695	4.7
99.04453	9.1
99.08099	5.3
105.07040	43.7
107.04948	7.1
107.08595	60.9
109.06526	17.5
109.10159	33.4
110.45774	4.0
111.04462	6.8
111.08091	14.5
113.06036	5.4
115.03950	20.5
117.07037	13.4
119.08586	49.1
121.06525	11.2
121.10154	42.3
123.04494	6.0
123.08090	20.3
123.11723	38.8
125.06008	5.3
125.09605	9.1
129.06984	10.4
131.08569	26.3
133.04973	17.7
133.10161	29.7
135.08083	9.9
135.11696	65.6
137.05992	7.7
137.09636	13.1
137.13263	12.0
139.11232	6.2
143.08578	16.2
145.10133	28.8
147.08032	6.1
147.11739	27.6
149.09619	12.5
149.13293	26.8
151.07495	7.5
151.14795	7.8
153.09085	6.8
153.12730	7.9
157.10132	15.9
159.06638	7.4
159.08055	6.2
159.11699	27.9
161.09641	7.2
161.13261	36.2
163.11192	9.6
165.09201	7.5
171.11674	9.7
173.08144	9.1
173.09601	9.9
173.13358	13.4
175.11198	7.3
175.14781	7.8
177.05511	5.3
177.09039	6.4
177.12804	23.4
179.14331	28.7
185.13350	8.1
187.09610	5.8
187.14827	14.1
191.10680	5.1
191.14214	5.4
193.15997	7.1
197.13275	8.4
203.14360	19.7
205.15894	10.6
215.14288	32.2
221.15436	37.1
233.15363	48.1
239.16313	7.5
251.16470	49.6
251.18796	5.4
251.20200	6.4
269.17413	84.0
269.22446	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	269.1744
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03927	1.9
55.01853	3.2
55.05507	22.3
56.19126	1.3
57.03436	28.4
57.07054	4.2
65.03906	2.5
66.05242	1.5
67.05499	75.3
69.03405	2.3
69.06725	2.4
69.07061	31.6
70.15752	6.7
71.04994	6.8
71.08623	1.8
79.05062	2.5
79.05486	38.5
81.07049	100.0
83.04961	9.7
83.08611	16.8
85.02873	1.5
85.06514	6.2
91.05471	27.4
93.07034	63.3
95.04962	9.6
95.08601	31.7
97.02868	2.4
97.06511	13.7
97.10167	2.4
99.08078	14.3
105.07018	17.1
107.04995	1.5
107.08582	37.6
109.06499	5.4
109.10157	11.4
111.08080	8.7
113.05965	1.9
117.07012	13.4
119.08596	8.3
121.06470	1.9
121.10133	23.6
123.11713	6.8
127.07550	8.4
129.06914	2.0
131.08548	15.5
131.12665	1.4
133.10109	21.6
135.08060	3.3
135.11682	13.9
139.11142	3.7
143.08517	3.5
145.10143	6.8
147.11639	5.9
149.09624	2.8
149.13243	45.3
151.11174	2.3
152.28101	1.4
157.10039	7.3
159.10429	2.8
159.11671	30.3
161.13228	5.6
163.11035	1.6
163.14799	1.6
171.11649	5.9
172.27322	1.5
172.57390	1.3
173.09543	1.4
173.13185	7.0
175.14859	2.5
177.05435	2.0
177.12737	13.5
185.13182	2.7
187.14857	2.5
195.13812	14.7
199.14827	3.8
213.14603	2.6
213.16365	5.3
215.18234	1.4
227.17915	3.0
233.18958	1.5
241.19476	1.9
251.16368	3.6
251.20009	1.9
269.17438	79.6
269.22440	32.0
270.17776	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22850	1.4
53.03919	3.5
55.01861	3.2
55.05511	21.1
56.96572	2.4
57.03436	28.5
57.07076	7.3
59.04973	1.6
59.44775	1.1
63.36543	1.3
65.03945	3.4
67.05503	83.4
69.03419	3.4
69.07066	39.4
71.04999	7.9
71.08624	1.7
71.57126	1.9
73.02895	1.4
74.03477	1.4
79.05492	44.3
81.03428	3.1
81.07056	100.0
83.04989	9.7
83.08614	21.0
85.06530	6.1
91.05475	26.8
93.07041	79.9
95.04974	10.5
95.08604	45.5
95.09052	1.0
97.06525	13.9
97.10165	4.2
99.08086	5.1
99.90538	1.5
101.40903	1.4
103.05489	2.0
105.07034	19.7
107.04968	1.8
107.08593	48.1
109.06520	5.2
109.10152	14.3
111.08095	10.4
113.09657	2.0
117.07001	13.8
119.08578	20.9
121.06525	2.1
121.10139	31.6
123.04421	1.6
123.08053	6.6
123.11709	7.4
125.05946	1.3
125.09609	2.5
127.07652	1.3
128.06203	1.9
129.07001	3.9
131.08545	16.2
133.10139	24.1
134.61815	1.3
135.08083	2.9
135.11699	16.8
139.11087	2.3
141.06921	1.4
141.09094	2.2
142.07741	3.3
143.08582	7.4
145.10129	19.8
147.11681	10.8
149.05988	2.0
149.09589	3.0
149.13255	50.3
151.11157	3.3
156.09367	3.1
157.06297	1.5
157.10130	14.0
158.10834	1.7
159.04469	1.6
159.11699	40.7
161.13264	6.8
163.11107	1.9
167.07059	3.2
169.10147	3.7
169.50270	1.3
171.11646	12.8
173.13280	8.8
175.14821	3.2
177.05464	8.6
177.12761	14.5
183.11685	2.5
185.09576	2.5
185.13243	9.8
187.14822	8.3
189.16566	1.9
195.11884	2.8
195.13773	14.7
197.13179	1.5
199.11034	1.7
199.14828	8.9
205.15900	5.1
208.71248	1.7
209.08063	2.9
209.13315	2.3
211.10841	2.0
213.12852	1.4
213.16431	8.3
223.16937	2.1
227.14348	1.9
227.17969	5.9
233.15364	2.7
241.19617	2.4
251.18001	2.7
251.20128	5.4
269.17157	56.1
269.22467	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	269.1747
Annotation	Kobusimin B
Peak:m/z	Relative Intensity
53.03957	4.2
55.05511	61.5
57.03432	28.0
57.07078	4.9
59.04998	5.3
59.14776	2.9
67.05164	6.2
67.05499	71.1
69.06712	5.5
69.07066	52.2
70.08197	6.9
70.08605	10.5
71.05000	17.9
79.05493	44.4
81.06580	5.6
81.07059	100.0
83.04979	88.8
83.08623	14.9
85.06541	4.5
91.05478	33.6
93.07042	78.2
95.04969	13.4
95.08607	32.8
97.06532	26.0
97.10196	4.7
99.08078	7.1
101.06052	3.5
105.06419	4.2
105.07008	20.9
107.08614	36.7
109.06503	6.3
109.10188	18.3
111.08044	10.1
117.07017	11.1
119.08566	8.3
121.10146	40.2
123.08054	5.7
123.11729	14.8
131.08554	17.4
133.10114	24.4
135.11685	11.9
142.07745	4.0
143.08585	3.1
145.10133	7.1
147.11668	4.4
149.02136	3.4
149.09579	18.6
149.13261	42.4
151.11186	10.3
155.10616	6.0
157.10155	8.6
159.11699	31.1
161.13255	5.1
169.10156	4.8
170.10847	3.5
171.11691	16.9
171.26952	3.3
173.13217	5.7
177.09119	7.6
177.12735	14.2
185.13283	10.5
195.13739	15.6
199.14848	16.0
209.11745	4.6
211.14905	4.0
213.39291	3.5
229.14101	3.6
241.19507	13.5
251.18008	4.1
258.18524	3.2
269.17230	71.2
269.22644	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75937	1.3
53.03953	3.9
55.01862	5.4
55.05259	2.2
55.05513	29.8
56.53397	1.4
57.03432	20.6
57.07069	4.8
65.03928	2.0
66.51148	1.5
67.05502	76.1
68.69455	1.6
69.03428	3.4
69.06728	2.3
69.07068	37.0
70.22604	3.3
70.23026	4.8
71.04993	9.0
71.08624	2.0
79.05489	43.5
81.03426	2.0
81.07054	100.0
83.04981	10.4
83.08627	19.4
85.06544	5.2
91.05471	24.8
93.07041	71.3
95.04965	10.8
95.08600	53.6
97.02905	2.1
97.06541	16.8
97.10175	8.2
97.92410	1.5
99.08086	4.5
103.05446	1.9
105.07024	18.4
107.04939	1.6
107.08591	44.1
109.06490	5.9
109.10143	23.3
111.04427	2.2
111.08092	12.1
111.11709	3.0
113.09670	2.3
116.06259	1.7
117.07014	10.1
119.08570	19.6
121.06501	3.4
121.10131	32.4
123.08090	3.4
123.11691	9.6
125.09613	2.3
129.07019	3.3
131.08578	17.5
133.10141	24.1
135.08087	3.4
135.11674	13.4
137.05898	2.1
137.09644	2.8
137.13152	1.7
139.11165	5.2
142.07764	2.3
143.08557	7.1
145.10136	9.8
147.08035	4.1
147.11662	7.5
149.09605	2.5
149.13261	36.7
151.11165	3.2
153.09085	2.0
155.08559	2.9
157.10114	10.7
159.11681	30.7
161.09520	1.7
161.13239	4.8
169.10143	3.1
170.10930	1.7
171.10446	1.5
171.11700	8.5
173.09680	2.4
173.13252	11.8
175.14737	2.7
177.05496	4.3
177.12733	11.0
183.11734	2.4
185.09573	1.7
185.13251	6.5
187.14821	4.3
195.11755	2.2
195.13788	11.2
199.14796	5.6
209.13342	2.5
211.10899	2.5
211.14835	2.4
213.12688	3.6
213.14555	1.9
213.16376	5.4
215.17892	4.3
225.16222	2.7
227.14371	2.4
227.18002	2.0
233.18974	8.7
241.19518	5.3
251.17871	3.4
251.20078	35.0
269.07980	2.2
269.17050	41.4
269.22681	17.2
270.17819	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04520	3.3
53.03934	6.0
55.01867	5.7
55.05511	29.7
56.96575	3.6
57.03447	35.1
57.07058	11.9
67.05168	6.5
67.05505	80.0
69.07075	37.2
70.74039	9.6
70.75085	3.3
71.04988	6.1
79.05494	50.4
81.03416	6.2
81.07059	100.0
83.05010	17.2
83.08623	29.6
85.06543	7.8
91.05483	35.5
93.07047	74.7
95.04986	8.5
95.08608	35.7
97.06526	15.4
105.07025	27.6
107.08598	46.6
109.06503	7.1
109.10172	15.6
111.08089	10.1
117.07037	8.8
119.08586	12.9
121.10139	44.2
123.11721	10.4
131.08551	22.2
133.10132	19.9
135.07983	4.3
135.11656	19.1
143.08607	5.4
145.10124	9.2
147.11758	4.0
149.09596	20.4
149.13258	43.0
154.43680	3.7
157.10103	7.5
159.11682	34.8
161.13266	8.1
164.49541	3.7
171.11693	8.8
173.13252	4.1
177.09166	6.4
177.12779	14.2
185.13266	9.6
187.14780	4.0
195.13779	17.7
199.14827	7.4
201.42169	3.4
205.19568	3.4
209.11687	7.3
213.16418	6.5
227.18027	4.3
228.61690	4.1
251.20166	7.2
269.17368	68.1
269.22470	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Kobusimin B
Peak:m/z	Relative Intensity
53.03938	2.6
55.05511	45.8
56.96544	1.6
57.07072	1.8
59.04986	4.4
67.05494	6.6
69.03423	2.0
69.06722	1.9
69.07069	29.9
69.79531	3.5
69.79942	3.9
71.04995	19.7
73.06509	1.0
75.69741	1.1
79.05492	6.0
81.07061	19.4
83.04982	100.0
83.08656	1.3
91.05479	7.5
93.07051	16.2
95.04954	3.4
95.08614	4.5
97.06532	17.9
98.06883	1.2
101.06018	9.8
105.07040	6.7
107.08582	10.8
109.06523	5.5
109.10155	12.1
111.08075	1.9
119.08627	2.9
121.10149	3.3
123.11716	11.6
131.08574	2.0
133.10135	10.5
143.08571	1.8
145.10153	1.8
149.13249	1.4
151.11182	10.1
155.10670	14.2
157.10149	2.2
159.11707	2.4
171.11681	2.0
175.02803	4.7
176.84193	1.3
183.10173	2.6
185.13251	1.2
193.03798	1.2
213.16159	1.4
224.59799	1.2
227.17709	1.2
251.16441	3.7
269.17441	13.9
269.22552	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03920	2.8
55.01848	3.6
55.05512	18.4
56.96548	1.8
57.03441	32.8
57.07036	5.3
63.22124	1.3
65.03921	2.4
67.05508	71.3
69.07067	31.8
69.55591	6.8
69.56008	2.6
71.04980	6.4
79.05493	45.0
81.03391	2.1
81.07059	100.0
83.04981	12.2
83.08620	18.3
85.06524	6.6
91.05487	27.0
93.07047	68.4
95.04978	8.9
95.08611	30.5
96.33915	1.5
97.06517	13.9
97.10126	1.4
99.04425	1.7
99.08030	4.4
105.07033	13.6
107.04920	2.3
107.08596	39.7
107.15421	1.1
109.06461	5.3
109.10155	7.5
111.08092	8.4
113.05985	1.6
117.07046	11.4
117.53974	1.4
119.08570	8.9
121.06477	2.3
121.09354	1.6
121.10143	21.0
123.08029	2.1
123.11659	4.7
125.09579	1.6
128.06125	1.4
131.08577	14.2
133.10130	14.3
135.07954	3.5
135.11708	13.1
139.11101	2.3
143.08469	3.5
145.10016	4.5
147.11653	5.8
149.09520	1.8
149.13261	42.1
150.13480	1.4
151.11072	3.8
153.09036	1.4
155.08467	1.5
156.09131	1.2
157.10078	3.3
159.10493	1.6
159.11687	25.0
161.13190	3.5
167.06967	1.6
169.10077	1.8
171.11584	3.2
173.13156	2.7
175.14835	1.4
177.05386	2.8
177.11453	1.3
177.12755	12.2
181.10019	1.8
185.13147	3.8
187.14777	1.8
187.90950	1.3
195.12209	1.6
195.13834	16.6
197.13103	1.8
199.14691	3.9
209.13187	1.5
211.14696	1.5
213.12743	1.5
213.16257	4.3
223.14880	1.4
227.17842	1.9
228.16505	1.5
241.19260	2.6
251.20023	2.1
269.17325	61.5
269.22202	17.4
269.26822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73229	0.8
55.05516	1.8
57.07075	1.1
59.05013	1.0
66.16855	0.8
67.05499	2.4
69.07065	4.0
70.75453	1.4
70.75809	2.0
71.04996	21.4
73.06565	1.9
74.16045	0.7
79.05498	2.5
81.07057	14.0
91.05479	1.4
93.07043	12.8
95.08614	2.7
97.06557	4.5
107.08585	8.8
109.10151	4.4
111.08090	1.3
123.11719	7.5
135.11702	17.5
152.73088	0.7
153.12752	100.0
154.13057	1.1
251.10443	13.4
269.11572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1149
Annotation	Loxoprofen sodium
Peak:m/z	Relative Intensity
53.25562	0.7
55.05513	1.4
57.07053	1.2
58.55098	0.6
59.05000	1.2
59.45770	0.7
67.05501	2.7
69.07056	2.6
70.37176	2.8
71.04991	20.5
73.06539	2.7
79.05507	1.8
81.07052	14.3
91.05459	1.1
93.07047	8.8
95.08601	3.1
97.06538	4.1
98.20921	1.0
107.08575	5.8
109.10154	2.9
110.07101	0.7
111.08059	2.1
123.11701	7.2
127.03912	1.0
135.11691	17.2
136.06183	0.9
153.12740	100.0
154.12964	1.7
156.36447	0.9
171.07610	1.5
231.15680	0.8
242.71808	0.7
251.10419	13.1
266.23083	0.9
266.26031	0.8
269.11221	0.8
269.15070	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66003	2.3
55.05504	3.6
67.05527	4.3
69.07074	4.3
70.64383	2.0
71.60494	2.7
71.73851	1.9
75.58617	2.4
79.05490	3.0
81.07046	6.4
83.08567	2.5
91.05464	6.4
93.07027	3.1
95.04964	2.9
95.08607	5.7
97.10146	2.0
103.05476	7.1
105.07023	4.6
107.04958	4.3
107.08602	5.4
117.87173	2.1
119.08595	4.9
121.06519	15.3
121.10076	2.4
123.11693	2.1
126.18233	1.9
131.04953	12.3
133.10184	2.9
135.11620	2.7
137.05997	2.8
145.02924	2.9
145.10126	2.6
147.11732	2.5
149.05989	23.2
149.13264	3.1
157.10143	3.0
159.04453	7.9
167.07039	38.7
167.08406	2.6
171.11801	2.9
177.05478	100.0
185.13268	2.9
191.07018	5.0
199.14874	2.8
208.07272	3.6
209.08089	24.4
223.09648	5.3
227.09167	12.7
241.19550	2.6
251.09102	2.8
269.19089	8.5
269.22665	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	269.0884
Annotation	Inosine
Peak:m/z	Relative Intensity
51.89252	0.4
56.96560	2.2
57.33271	0.4
58.24504	0.4
59.04992	0.6
60.04548	1.0
69.03429	1.3
70.06599	0.6
70.35016	1.8
70.98103	0.4
71.01376	0.5
73.02903	0.7
83.04987	0.4
84.96027	0.5
85.02901	1.6
85.12079	0.5
91.05432	0.5
94.04070	0.5
95.08569	0.4
97.02895	1.0
98.97604	1.2
99.07121	0.5
100.52508	0.4
109.10121	0.5
110.03508	0.8
110.07170	2.6
114.96622	0.6
115.03955	0.4
116.98631	0.9
119.01875	0.6
119.03551	1.2
119.04975	0.8
127.03916	0.7
128.98563	0.7
130.54388	0.4
133.04990	0.6
134.99683	0.5
136.06190	1.5
136.07559	0.6
137.04593	100.0
147.04396	1.4
150.05511	0.5
152.07098	1.0
158.99716	0.5
161.01335	0.6
162.99171	0.5
182.08156	0.6
184.93633	0.5
190.04906	0.5
201.00763	1.4
219.01848	0.5
228.94455	0.5
269.07846	0.6
269.15991	0.8
270.95877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1175
Annotation	silthiofam
Peak:m/z	Relative Intensity
51.56206	0.8
55.05494	3.2
57.03433	0.9
59.04980	1.0
67.05476	1.5
69.03425	1.0
69.07063	24.0
69.49494	0.9
70.06588	0.8
71.57954	1.0
71.58327	1.4
73.02901	1.0
73.06537	2.0
76.41888	0.8
79.05492	1.0
81.03400	3.4
81.07032	1.9
85.02873	1.0
91.05453	1.5
93.07059	1.4
95.04961	1.4
95.08588	1.5
96.04500	0.8
97.02869	1.4
97.10172	1.5
104.97832	0.8
105.07043	1.7
107.04944	2.0
108.04450	2.1
111.03231	4.4
111.04453	1.0
119.01897	1.5
121.06502	1.3
122.07263	2.6
123.08047	1.6
126.05512	19.6
136.03908	1.4
136.06166	17.1
138.05472	3.0
139.03873	1.4
139.07576	0.9
151.02669	0.9
154.03722	1.9
154.04976	34.0
155.03427	0.9
161.03030	1.3
162.09119	1.0
166.04988	7.5
169.06088	1.6
173.02969	0.9
194.08119	1.8
194.11761	4.3
211.07135	1.5
222.11241	46.0
222.71141	0.9
239.05673	1.0
240.12280	2.2
268.11804	100.0
268.16370	2.6
269.12097	1.7
274.90347	0.8
280.71112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76011	0.3
53.03897	0.5
55.05457	4.1
55.05748	0.7
56.05000	0.5
57.07069	1.9
57.47529	0.4
58.06545	4.5
67.04066	0.3
67.05502	11.0
67.05824	0.6
69.07071	3.1
69.52563	1.2
69.52985	1.6
71.40493	0.3
72.08116	0.4
79.05489	3.9
81.07051	9.8
82.06539	0.4
82.42860	0.4
83.08566	1.2
84.08094	0.7
85.06516	0.3
89.71814	0.3
91.05422	0.6
93.07037	4.2
95.08604	6.1
97.10141	0.8
98.09683	2.2
98.20748	0.7
107.08581	2.9
109.10146	2.3
121.10134	3.1
123.11652	1.1
124.11216	1.7
135.11684	2.3
149.13182	1.2
152.14360	0.5
163.14752	1.0
176.20439	0.4
177.16316	0.4
184.92767	0.4
225.38773	0.3
250.25291	100.0
251.25664	2.3
268.26346	15.9
269.26849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97773	1.7
62.18284	1.7
70.97359	4.9
80.45624	2.0
132.29430	1.8
136.94048	3.5
162.95592	3.4
201.06862	2.0
268.95212	3.2
268.98267	100.0
269.11038	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9827
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62154	2.0
66.65631	2.0
71.29279	4.3
110.08571	1.9
112.89610	10.3
134.96080	5.0
136.93997	3.8
162.95612	3.9
164.93510	8.5
178.95125	3.4
268.94678	23.5
268.98233	100.0
283.97678	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.81386	0.2
55.01868	0.3
57.03434	0.5
60.90494	0.2
69.03426	0.2
70.91024	0.7
73.02934	0.3
85.02895	0.6
87.04425	0.2
92.35367	0.2
94.04011	0.2
106.06567	0.8
110.90077	0.2
119.03552	0.5
136.06187	100.0
137.04605	0.5
137.06526	1.0
166.44859	0.3
202.83606	0.2
242.87425	0.2
245.05238	0.2
247.85593	0.2
268.10431	7.3
268.98224	0.9
269.10870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
57.03420	0.3
69.03413	0.3
71.30676	0.3
72.79354	0.2
79.99612	0.2
85.02910	0.2
88.46067	0.1
92.02563	0.2
94.04069	0.4
97.55516	0.2
112.21295	0.2
119.03548	0.6
136.06187	100.0
137.04605	0.5
144.86508	0.2
155.91475	0.2
181.09056	0.2
210.47211	0.2
268.10419	7.6
268.21835	0.2
271.39420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39205	0.2
51.04276	0.2
55.01846	0.2
56.16759	0.2
57.03429	0.3
69.03410	0.2
70.88654	0.3
70.89005	0.5
72.36398	0.2
74.15457	0.2
90.09179	0.2
136.06195	100.0
137.04663	0.4
137.06519	0.8
140.25604	0.2
189.76802	0.2
268.10434	9.8
269.10809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2683
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
53.03915	2.9
55.05508	33.0
56.26557	1.7
57.03428	5.5
57.07076	28.8
59.04999	2.8
67.05503	37.7
69.07066	51.6
70.91144	5.9
71.04999	11.8
71.08636	18.2
79.05474	6.7
81.03408	11.8
81.07054	83.8
83.08619	55.6
85.06525	2.5
85.10180	9.3
91.05473	3.9
93.07021	4.6
95.04959	2.2
95.08606	100.0
97.10171	45.5
105.07014	5.5
107.08598	3.1
109.10152	71.0
111.11723	23.6
113.09647	2.3
119.08567	5.3
121.10119	3.5
123.10811	3.5
123.11709	51.9
125.13274	4.7
133.10149	2.7
135.11749	2.8
136.06181	3.2
137.13248	15.5
139.14804	2.6
145.10135	4.9
147.11757	2.2
151.14812	6.2
155.08594	3.4
157.10115	5.4
159.11678	5.3
165.16396	4.2
169.10110	8.5
171.11713	8.4
173.13219	3.2
179.17952	5.7
182.10898	2.3
183.11711	11.0
185.13274	5.0
185.18874	2.2
193.19467	6.1
197.13231	13.4
211.14861	12.8
225.16273	5.6
249.25813	12.5
267.16003	7.7
267.21063	48.4
267.26822	13.1
268.21268	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2681
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
53.03959	0.6
55.05508	11.3
56.96560	0.9
57.03430	1.5
57.06784	0.9
57.07076	30.8
59.04985	2.8
67.05500	16.9
69.07066	52.9
70.22630	2.2
71.04976	2.5
71.08632	19.1
79.05490	4.2
81.03417	1.0
81.07056	49.9
82.07392	0.8
83.04995	4.5
83.08136	1.3
83.08615	20.0
83.80190	0.6
85.06540	3.0
85.10178	10.2
91.05470	1.7
93.07036	3.1
95.08604	100.0
96.08922	1.1
97.10167	11.7
99.08099	2.4
99.11736	0.8
103.45338	0.7
105.07043	1.7
107.08609	2.1
109.06564	1.0
109.10153	26.0
111.11718	5.5
113.09670	1.7
119.08571	1.7
121.10158	2.8
123.11702	21.6
123.12577	1.3
125.13297	1.8
127.11141	0.8
133.10112	0.7
135.11778	0.8
136.06233	1.0
137.13249	4.4
151.14818	7.8
157.10098	0.9
165.16389	1.2
167.10728	0.9
169.15958	2.1
175.02829	1.9
175.11156	1.0
179.18040	2.2
193.19574	2.0
229.28047	0.7
249.25914	3.6
267.26917	68.6
268.27106	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64363	0.6
50.64607	0.6
55.05511	4.2
57.03413	1.0
57.07051	1.2
58.48406	0.7
64.25849	0.7
65.06939	0.6
67.05509	4.7
69.07071	5.4
69.41600	6.0
71.08601	0.8
79.05486	2.2
81.03408	1.9
81.07065	7.3
83.08622	2.5
85.07319	0.6
91.05483	2.3
93.07067	3.8
95.04929	0.9
95.08616	10.4
105.07041	6.2
107.08611	5.1
108.80013	0.6
109.10162	8.8
117.07033	1.1
119.08598	9.6
121.10138	3.1
123.08070	0.8
123.11674	1.8
123.16164	0.7
129.07005	1.5
131.08551	4.5
133.10161	5.4
136.06146	2.1
141.06955	1.3
142.07782	2.0
143.08563	3.3
144.09308	1.0
145.10150	5.9
147.11650	3.7
154.07809	0.9
155.08553	7.7
156.09341	4.9
157.10141	8.9
159.11719	10.4
161.13271	1.5
165.07013	0.7
167.08553	1.8
168.09340	2.4
169.10150	14.7
170.10941	3.6
171.11711	16.4
173.13286	8.8
181.10178	3.6
182.10880	4.8
183.11717	20.2
184.12642	0.8
185.13271	10.6
187.14844	2.0
194.10977	1.1
195.11728	2.9
196.12506	6.4
197.13264	23.9
198.14021	1.3
199.14827	2.3
209.13298	3.0
210.14008	2.6
211.14839	26.4
212.15584	1.2
223.14825	2.5
224.15446	1.5
225.16406	12.3
226.17043	0.8
237.16362	2.2
238.17134	2.0
239.17911	3.3
252.18739	1.9
267.21097	100.0
268.21320	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2681
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
51.93516	1.3
55.05265	2.0
55.05508	30.2
57.03427	2.9
57.07073	40.9
59.04987	2.9
67.05502	42.7
69.03425	2.3
69.07065	53.2
69.45498	9.5
69.45911	3.0
71.04989	8.7
71.08630	28.0
79.05488	7.1
81.03424	10.2
81.07053	85.3
83.04977	2.4
83.08615	54.4
85.06524	4.3
85.10181	12.7
91.05460	6.3
93.07038	6.9
95.04951	3.9
95.08603	100.0
97.02893	1.7
97.10165	42.8
99.08067	3.0
105.07020	4.4
107.08543	3.8
109.06511	1.8
109.10152	77.1
111.08051	2.3
111.11723	21.5
113.09633	1.7
116.94090	1.5
119.08560	8.4
121.10101	3.8
123.08028	1.8
123.10814	2.4
123.11703	46.3
125.09599	2.2
125.13253	4.0
133.10112	6.6
137.13255	20.4
145.10071	2.0
147.08028	4.2
147.11667	2.5
149.09622	1.7
151.14803	7.6
161.09575	4.0
165.09088	3.2
165.16397	5.3
176.32098	1.8
179.08377	1.3
179.10690	2.0
179.17908	4.9
183.11673	2.1
193.12344	1.7
193.19496	5.6
211.14813	1.6
249.18625	1.5
249.25797	9.6
259.36920	1.3
267.15970	5.0
267.21109	8.2
267.26804	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03942	2.6
55.01858	2.6
55.05506	8.3
57.03190	1.6
57.03439	21.7
57.07069	1.3
67.05509	12.3
69.03429	2.3
69.07058	3.6
75.90650	1.1
79.05482	10.2
81.03419	100.0
81.07051	14.1
83.04966	5.2
83.08623	18.1
85.06556	1.6
91.05482	15.3
93.07034	7.3
95.04969	23.3
95.08607	7.0
97.02868	2.3
97.06515	1.7
97.10125	1.4
98.98471	3.0
105.07016	15.1
107.04921	4.6
107.08580	4.2
109.06506	4.5
109.10115	4.0
111.08099	8.5
117.07028	1.2
119.08579	11.7
120.34208	1.1
121.06484	1.8
121.10134	4.7
123.08056	1.9
123.11661	3.3
128.70750	1.3
129.07019	7.6
131.08586	6.1
133.06442	2.2
133.10124	6.0
136.06126	3.5
137.77042	1.2
142.07808	2.2
145.10114	2.6
147.08029	3.0
147.11674	8.1
149.09624	3.4
157.10107	8.6
163.11101	1.9
165.12752	2.6
165.28384	1.2
169.10126	2.1
173.13173	1.5
175.11205	9.7
183.11693	1.4
185.13254	1.4
193.12241	22.9
195.11635	1.4
197.13284	1.4
211.13165	2.7
211.14906	3.2
212.58554	1.4
214.26260	1.3
229.65431	1.3
249.14731	2.3
267.15881	69.3
267.20541	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	267.1593
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03950	6.3
54.90460	2.5
55.01866	11.9
55.05515	17.1
56.96561	7.1
57.03219	2.1
57.03437	21.2
57.07053	5.5
58.11863	2.5
59.04987	7.4
61.02914	5.4
61.43100	2.4
67.05511	28.9
69.03433	34.5
69.07056	11.2
69.34676	19.4
69.35090	6.4
71.04985	9.1
73.02914	6.9
79.05491	35.2
81.03419	93.6
81.07061	53.0
83.04984	14.8
83.08626	17.0
85.02900	19.3
85.06540	9.0
87.04436	9.0
90.18751	2.5
91.03939	2.9
91.05482	36.1
91.18640	2.4
93.07047	40.5
95.04974	34.8
95.08609	24.3
97.02895	33.5
97.06518	10.7
98.02270	2.3
98.09702	2.9
98.97597	17.1
99.04454	11.6
99.08068	4.5
103.05442	2.9
105.07034	49.8
107.04945	11.7
107.08604	26.5
109.02896	29.6
109.06503	14.9
109.10150	13.8
109.68571	2.3
111.04441	16.6
111.08079	11.7
113.05949	3.6
115.03909	9.8
115.05447	3.4
116.98643	12.2
117.07012	11.6
119.04906	2.9
119.08586	34.5
120.08069	3.3
121.02850	3.0
121.06496	12.1
121.10139	35.3
123.04424	5.9
123.08096	8.2
123.11711	18.6
125.06005	4.5
125.09576	4.8
127.03925	3.5
128.06232	4.0
129.07007	13.1
131.08600	20.2
131.97534	2.6
133.04930	5.5
133.06461	10.2
133.10120	29.5
134.99686	5.0
135.04420	29.1
135.08017	11.2
135.11722	13.1
136.06186	12.0
137.05980	5.4
137.09618	4.7
137.32243	2.5
139.07491	3.4
141.05418	6.1
142.07803	3.6
143.08557	11.1
145.06503	5.0
145.10127	15.6
147.08055	10.6
147.11708	28.4
149.09616	9.0
149.13203	4.5
151.07582	3.6
151.11127	4.7
153.05365	3.6
153.09116	3.8
157.10110	14.9
158.99692	4.5
159.08156	3.7
159.11679	14.0
161.05998	5.4
161.09631	9.1
161.13293	4.3
163.07582	2.9
163.11145	5.0
165.06918	2.8
165.09097	3.5
165.12805	3.5
167.07040	5.6
169.10130	4.5
170.59381	2.7
171.08058	6.4
171.11647	6.2
173.09653	3.9
173.13251	3.0
175.07550	3.1
175.11208	35.6
177.00725	8.0
177.12794	17.1
178.07730	4.5
179.08543	3.1
181.04909	2.9
183.06343	3.2
183.11633	5.5
185.03899	13.8
185.13290	6.1
189.09128	3.0
189.12708	6.4
193.08627	4.4
193.12213	19.7
196.54674	6.4
201.00713	5.8
201.12747	6.4
203.14310	6.7
207.08109	27.2
213.12790	7.5
219.13850	7.3
231.13794	24.5
233.08199	4.3
235.05449	5.0
235.07550	12.3
237.02837	4.4
238.09645	3.9
239.10635	3.1
246.09337	8.8
247.10100	10.0
249.11336	4.6
249.14859	21.8
249.18617	4.1
250.45532	2.9
252.07790	3.2
255.09879	4.2
267.06232	3.7
267.10236	14.7
267.15909	100.0
267.20435	4.2
267.25192	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	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20092	0.4
54.12209	0.3
55.05526	0.6
56.96559	0.9
59.05005	0.7
61.02914	1.4
67.05489	0.3
69.03409	0.5
69.98530	1.2
69.98936	0.8
71.05000	2.1
78.88342	0.3
79.05480	0.9
81.03410	1.0
81.07057	3.6
85.02945	0.4
91.05471	1.2
94.04050	1.4
95.08569	0.3
97.02884	0.5
98.20907	0.4
98.97585	0.5
105.03384	0.8
105.07025	0.5
113.09621	0.6
119.03514	2.1
119.04916	0.9
127.03933	0.4
136.06180	100.0
137.04532	2.4
137.06598	0.6
145.02835	0.6
147.04385	1.8
150.07745	0.4
161.05959	0.5
177.05516	1.9
216.40903	0.4
231.13751	0.5
234.13492	18.7
259.74570	0.4
266.16110	65.3
267.09833	0.4
267.16324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1341
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
51.67768	0.9
55.05518	1.5
56.04785	1.9
56.05040	17.1
56.96561	2.0
57.03429	2.9
57.07072	1.3
58.06598	2.9
58.27248	1.0
67.05495	2.3
69.03429	1.9
69.07064	3.1
70.36844	5.3
71.04990	1.1
71.62911	1.0
74.06083	100.0
79.05515	1.3
81.03428	1.5
81.07047	3.6
83.05015	1.0
83.08607	1.6
84.04491	3.3
85.02888	3.7
87.08093	3.8
87.75468	0.9
91.05475	3.2
93.07051	1.9
95.04967	1.5
95.08613	3.5
97.02878	1.1
97.06518	2.3
98.97596	2.1
98.98457	2.0
103.05452	2.2
105.07032	2.4
107.08590	2.0
109.06567	1.7
110.35354	1.0
111.28707	1.1
116.98625	1.2
119.04952	2.3
119.08553	1.5
120.07236	2.5
120.08111	52.2
121.06499	3.6
122.06958	1.0
131.04951	1.5
134.99611	1.2
139.34035	1.0
147.04454	6.3
147.69353	1.1
158.09639	1.3
161.01321	1.1
166.08653	41.9
201.00635	1.2
203.11775	2.1
221.12895	9.1
237.39047	1.3
245.90346	1.1
249.12378	4.3
249.14679	1.6
267.13486	19.3
267.16098	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82206	1.0
58.55238	1.0
59.05005	1.0
60.04527	11.8
61.45499	0.9
64.18312	1.1
66.18230	0.9
69.19486	1.1
70.02940	1.8
71.20906	2.2
88.03992	56.2
91.05482	82.6
102.05542	100.0
130.04999	2.8
146.06024	2.6
148.06047	67.6
196.31801	1.1
206.08214	3.9
220.09683	12.9
227.03268	0.9
234.07689	3.0
236.84773	1.0
242.97154	1.0
248.09099	3.3
266.10184	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	266.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.9
57.07098	0.8
67.05508	0.8
70.83512	1.5
71.08646	1.0
74.06087	1.3
85.02913	1.1
91.05487	3.8
91.82371	0.7
93.07052	10.7
95.04969	1.8
96.27034	0.7
103.05473	7.0
120.98315	0.7
121.06513	100.0
122.07111	0.7
137.61166	0.8
146.05986	1.2
147.04460	2.1
201.00710	1.4
202.08653	25.2
212.73836	0.8
218.05344	0.9
231.13821	0.9
248.09174	14.5
266.10294	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2526
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
51.52018	1.4
53.03933	3.3
55.01854	5.6
55.05510	76.6
56.96511	1.6
57.03428	2.7
57.07077	19.4
58.22252	1.4
67.05508	19.0
68.16914	1.2
69.03418	5.6
69.07066	100.0
69.44979	13.1
71.04981	4.7
71.08614	6.0
79.05489	12.2
81.03415	2.2
81.07055	66.6
83.04959	3.8
83.08617	54.1
85.06532	8.6
85.10171	3.8
91.05470	6.4
93.06474	2.0
93.07044	31.0
95.04967	1.9
95.08606	65.8
97.06534	9.5
97.10171	51.5
99.08083	7.0
105.07026	4.7
107.08589	32.3
109.09457	2.6
109.10155	37.7
111.08086	6.7
111.11736	8.3
113.09629	13.6
117.06998	2.8
119.08547	2.9
121.06548	1.6
121.10139	24.0
122.07114	7.8
123.11701	18.8
125.09616	11.2
127.11186	3.3
129.06963	1.5
131.08539	2.0
133.10150	1.6
135.08043	2.8
135.11694	13.5
137.13252	13.4
139.11177	13.6
145.06512	2.8
145.10104	2.1
149.13257	18.3
151.14813	5.5
153.12733	8.8
163.07562	1.7
163.14842	9.4
165.16364	2.7
173.05975	3.5
177.16353	12.4
179.17883	1.8
187.07585	1.9
187.11124	1.5
191.17943	13.0
201.16493	1.6
205.08646	3.9
205.19386	1.9
209.19034	13.2
217.08662	1.9
224.89600	1.6
247.13301	2.9
247.24187	17.9
250.06120	1.5
265.08322	1.9
265.14444	2.0
265.25262	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.036
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76935	0.4
70.83678	1.3
84.51756	0.6
90.87936	0.4
101.00880	2.0
103.45042	0.5
110.31786	0.5
119.01138	0.7
119.01932	9.6
137.02972	3.1
158.99849	1.0
159.23915	0.4
167.06657	0.5
177.00967	21.8
178.01085	0.7
193.04150	0.5
195.01982	0.7
201.00920	1.2
209.02858	0.4
217.04182	2.5
219.02014	26.6
220.02144	1.3
225.00993	2.0
243.01994	7.5
243.04243	0.7
261.03073	100.0
262.03232	2.8
263.03378	0.6
284.04703	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	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03938	2.0
55.01872	5.1
55.05261	0.9
55.05513	10.6
57.03439	3.3
57.07074	4.3
60.04518	0.7
65.03944	1.5
65.59995	0.6
67.05505	38.2
69.03422	1.0
69.06716	1.1
69.07068	13.3
69.59157	0.6
71.04985	3.6
71.08630	0.9
71.59365	1.2
73.25841	0.7
74.48978	0.6
78.06643	0.6
79.05495	13.6
80.18285	0.6
81.03420	8.3
81.07054	23.4
83.04988	6.3
83.08629	3.9
85.06527	2.6
85.10182	4.7
90.82752	0.6
91.05482	9.0
93.07040	15.1
93.72032	0.6
95.04968	5.1
95.08604	100.0
96.08958	1.0
97.06534	6.1
97.10179	1.0
99.08126	0.6
105.07028	4.9
107.08604	8.0
109.06503	2.4
109.10149	9.3
111.08098	1.1
111.11735	0.8
113.09647	4.7
117.07022	2.0
119.08593	2.7
121.06500	1.3
121.10143	3.9
121.24570	0.6
123.08103	3.8
123.11722	2.0
131.08559	2.9
133.10106	3.5
135.11670	4.5
137.13260	0.8
141.09100	2.6
145.10136	1.8
147.11662	0.9
149.13245	1.9
151.11194	2.0
153.12766	1.9
154.94109	1.1
159.10173	25.9
159.11516	1.2
161.13225	1.6
163.14861	1.0
165.12788	3.8
172.95241	1.3
173.13272	1.6
186.96742	4.6
190.96400	0.8
195.11650	0.7
195.13841	1.3
196.55093	0.6
197.13339	0.7
204.97789	4.8
209.13281	1.1
209.98364	0.9
225.69151	0.7
229.19452	1.3
237.28819	0.7
242.99315	1.5
247.20612	3.3
250.09816	0.9
261.94052	0.8
265.19522	2.5
265.21661	45.8
266.22055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2526
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03940	2.7
54.23069	1.1
54.87554	1.0
55.01862	2.2
55.05510	41.2
56.96562	1.9
57.03413	3.3
57.07074	14.9
59.04996	1.3
60.12276	1.1
64.19225	1.0
65.03922	1.4
67.05503	29.0
67.14076	1.1
69.03414	3.3
69.07068	57.4
69.48649	1.2
71.04996	7.2
71.08635	6.3
71.59668	1.8
79.05493	16.3
81.03408	3.7
81.07056	77.2
83.04974	3.0
83.08614	39.1
85.02887	1.4
85.06527	5.7
85.10185	2.2
91.05470	4.7
92.30530	1.4
93.07041	26.7
95.04956	3.3
95.08603	100.0
97.02882	1.9
97.06520	3.4
97.10169	28.6
99.04411	2.0
99.08083	5.4
105.07018	6.5
107.04936	2.7
107.08591	22.4
109.02858	2.2
109.06532	1.8
109.10155	52.5
111.03667	1.2
111.04405	1.4
111.08080	3.6
111.11721	9.2
113.09606	3.4
115.03943	1.5
117.07008	3.2
119.08562	4.4
120.08099	1.7
121.02737	1.1
121.10139	35.1
122.07158	4.9
123.04454	2.2
123.11703	23.8
125.09628	4.1
125.13245	2.8
127.11175	2.5
131.04993	1.2
131.08572	2.9
133.10144	2.8
135.08057	1.8
135.11688	20.9
137.13266	16.4
139.11208	1.9
143.08630	1.4
145.06485	1.9
145.10130	2.7
147.08072	1.1
149.13271	14.0
151.14795	6.1
153.12743	3.6
157.10129	1.7
159.08055	1.7
159.11752	1.7
161.09642	1.6
163.03922	1.5
163.14806	12.1
165.16432	7.3
167.07100	1.7
167.08635	1.2
171.11661	1.3
173.05986	4.0
177.09258	1.6
177.16402	9.9
179.17952	1.2
191.17946	10.2
195.11732	2.3
205.08640	4.5
207.21053	2.9
209.13304	1.8
209.19008	3.4
211.51010	1.5
216.86658	1.3
217.08591	1.4
219.13731	1.7
229.12402	1.6
237.80887	1.3
247.13310	3.0
247.16974	1.7
247.24205	25.2
265.10757	1.2
265.14462	3.9
265.17581	1.8
265.19641	2.4
265.25281	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	265.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
57.07062	0.9
57.74206	0.2
58.53726	0.3
59.51413	0.3
62.22782	0.3
67.05506	1.7
69.07068	2.1
69.46320	2.6
73.38342	0.3
76.69387	0.3
79.05488	1.3
81.07050	4.5
83.08592	0.7
91.05473	0.9
93.07057	1.7
95.04962	0.3
95.08614	3.5
105.07029	0.9
107.08600	1.8
109.10149	0.9
115.05440	0.3
117.06988	0.4
119.08581	2.0
121.10136	1.1
123.11672	0.4
128.06245	0.5
129.06982	0.4
131.08560	0.8
133.10121	1.0
141.06955	0.7
142.07788	0.8
143.08563	1.7
144.09242	0.3
145.10098	1.6
153.06975	1.3
155.08578	1.2
156.09341	1.1
157.10129	3.7
159.11688	1.4
165.06995	3.2
166.07835	1.5
167.08556	4.5
168.09378	0.9
169.10139	3.6
170.10941	1.6
171.11691	4.6
173.13240	0.8
179.08549	5.2
180.09340	3.1
181.10120	10.0
182.10864	1.0
183.11719	6.2
184.12421	1.1
185.13254	4.8
193.10135	7.1
194.10899	5.6
195.11707	22.8
196.12375	1.3
197.13257	13.6
199.14799	3.9
200.12108	0.3
206.10893	0.8
207.11682	5.8
208.12463	4.7
209.13258	31.6
210.13950	2.2
211.14792	0.7
220.12654	0.4
221.13246	6.4
222.14038	2.5
223.14819	20.4
224.15508	1.9
235.14824	6.1
236.15585	4.2
237.16399	7.0
250.17186	7.1
265.19516	100.0
266.19812	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52999	0.5
54.25331	0.4
55.05503	2.3
57.07077	3.6
57.90014	0.5
60.04522	2.9
60.04777	0.5
67.05501	3.9
69.07057	3.8
69.90756	1.4
69.91171	1.7
71.05013	0.6
72.39456	0.5
79.05488	3.3
79.86317	0.5
81.03422	0.8
81.07046	7.7
83.08611	2.1
85.06528	1.0
91.05474	4.2
93.07028	5.9
95.08044	0.9
95.08607	9.8
97.06532	0.9
97.10163	0.9
105.07030	4.4
107.08585	6.6
109.10149	6.0
109.42586	0.5
115.05433	1.0
117.07019	1.8
119.08578	5.8
121.10145	6.3
122.07158	2.8
122.10435	0.8
123.11721	1.5
128.06236	0.9
129.07024	2.8
131.08562	3.7
133.10112	3.0
135.11732	1.5
135.49777	0.5
141.07008	2.0
142.07758	3.2
143.08542	6.9
144.09322	0.7
145.10117	5.7
147.11676	1.4
150.13676	0.6
153.07018	1.9
154.07758	0.7
155.08543	3.0
156.09367	1.9
157.10130	12.6
159.11708	4.1
163.04085	0.6
165.06973	4.6
166.07784	2.2
167.08545	6.4
168.09358	1.4
169.10118	8.1
171.11684	8.7
173.13242	2.6
179.08539	7.1
180.09332	4.6
181.10118	16.2
182.10934	1.2
183.11679	9.1
185.13298	2.4
191.59541	0.5
192.09262	1.0
193.10118	8.0
194.10921	10.2
195.09900	1.3
195.11685	23.9
196.12447	1.2
197.13249	4.8
205.15849	0.6
206.10965	0.9
206.19894	1.2
207.11687	5.7
208.12477	9.7
209.13251	35.2
210.13977	3.3
220.12459	1.0
221.13252	4.5
222.14027	2.9
223.14809	25.1
224.15292	0.8
235.14828	6.1
236.15509	3.4
237.16397	4.7
247.13408	0.6
250.17169	8.4
258.76791	0.5
265.19547	100.0
266.19986	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	265.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99226	0.3
52.27465	0.3
55.05505	0.8
57.07065	0.6
59.42486	0.3
63.64124	0.3
67.05494	1.7
69.07066	1.9
73.57235	0.3
79.05484	1.8
81.06637	0.4
81.07063	4.6
82.06528	0.3
83.08570	0.5
91.05472	0.7
93.07056	1.8
95.08607	2.5
105.07028	1.5
107.08593	2.0
109.10160	1.0
114.53580	0.3
117.06995	0.9
119.08588	1.9
121.10165	0.8
129.07004	0.8
131.08588	1.0
133.10100	1.2
141.06976	0.7
142.07767	1.2
143.08545	1.8
145.10132	2.0
153.06972	1.8
155.08563	2.2
156.09357	2.1
157.10126	4.3
159.11682	2.3
165.07019	4.4
166.07806	1.8
167.07256	0.5
167.08577	6.8
168.09311	1.3
169.10133	4.5
170.10941	2.0
171.11682	5.5
173.13300	0.7
179.08568	7.1
180.09361	4.6
181.10133	13.7
182.10855	1.5
183.11693	8.6
184.12422	1.2
185.13260	5.1
191.08694	0.4
192.09366	0.5
193.10132	11.1
194.10907	7.1
195.11694	27.6
196.12379	1.6
197.13269	15.5
198.13632	0.4
199.14818	4.8
205.10172	0.4
206.10898	0.6
207.11707	7.3
208.12465	7.3
209.13257	37.6
210.14006	2.2
211.14828	0.8
220.12514	0.4
221.13261	8.7
222.14049	2.8
223.14830	22.3
224.15480	1.9
235.14818	6.6
236.15598	3.8
237.16394	6.4
250.17175	6.8
265.19522	100.0
266.19885	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	265.1799
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
53.03944	4.9
55.01871	3.4
55.05509	20.1
55.70626	2.7
56.66725	2.7
57.07071	5.1
60.56610	2.6
61.45165	2.6
65.03939	2.7
67.05505	46.4
69.03452	2.6
69.07066	39.1
69.55285	22.3
71.05015	3.8
73.06551	7.1
75.79799	2.5
79.05494	77.0
81.07063	44.8
83.08617	5.9
85.06540	3.2
91.05489	38.6
93.07046	59.1
95.04956	6.0
95.08611	41.7
97.06539	17.0
97.10185	5.6
99.08121	3.2
105.07027	24.2
107.04951	25.8
107.08592	51.6
109.10152	20.0
111.08097	7.8
116.10227	2.5
117.07037	21.2
119.08591	30.2
121.10128	21.0
122.07157	11.9
122.07960	3.0
123.08123	5.2
123.11732	7.8
125.06023	5.3
125.09706	3.1
129.07008	5.6
130.07721	3.0
131.08583	50.7
133.10132	27.6
135.11699	13.4
137.09593	3.7
139.07536	2.8
141.09108	4.5
143.07039	30.4
143.08592	7.4
144.04738	3.8
145.10121	29.3
147.11714	5.1
149.09625	100.0
157.10144	6.0
159.11676	23.5
161.08148	9.7
163.11172	6.6
173.13281	14.1
177.16463	3.4
183.11659	3.2
185.13286	7.8
187.11290	4.2
195.11638	5.2
201.16391	75.2
209.13234	4.0
223.14845	3.5
229.15897	23.2
233.15344	4.1
247.16988	19.7
265.18076	12.4
265.19812	3.9
265.21747	5.6
265.25522	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	265.1547
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
55.05508	0.4
56.96566	0.2
65.69145	0.2
67.05486	0.6
69.03421	0.8
69.07066	0.5
69.44324	2.1
72.08157	4.8
79.05486	0.7
81.03412	0.3
81.07052	1.0
83.04980	0.3
83.99722	0.2
86.09695	0.4
91.05476	1.1
93.07063	2.4
95.04963	1.0
95.08578	0.3
97.02861	0.3
97.06544	0.5
103.05463	4.2
105.07043	1.2
107.08587	0.8
109.02953	0.3
109.06507	0.3
111.04466	0.4
112.49475	0.3
115.05441	0.4
117.06986	0.4
118.08675	1.5
119.08566	1.0
120.08112	100.0
121.06508	0.6
121.08431	0.7
121.10139	0.8
122.07175	2.1
123.08078	0.3
127.03914	0.4
129.06989	0.4
131.08559	0.7
133.10165	0.5
135.08061	0.9
137.09694	0.3
143.08563	0.4
144.04781	0.4
145.06511	0.8
145.10112	0.5
147.08046	0.5
149.05952	0.4
149.09760	0.5
153.06729	0.3
159.08099	0.7
159.11740	0.8
161.09631	0.5
163.07582	0.4
165.09180	0.3
173.06000	0.5
173.13248	0.3
175.07573	0.9
175.11131	0.4
182.99631	0.3
187.11217	0.7
200.96971	0.3
201.00760	1.1
201.12839	0.8
203.10600	0.5
205.08551	0.5
205.12271	0.3
211.11356	0.3
217.08557	0.3
218.97997	0.9
219.01677	0.4
219.15022	2.7
229.12294	0.5
245.37315	0.3
247.13454	0.9
265.15588	7.7
265.18390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05511	10.6
56.05029	0.8
56.96568	0.3
57.03428	0.4
57.05813	0.9
67.05521	0.5
69.03426	0.4
69.07075	0.4
71.04987	0.5
71.60168	0.3
71.60568	0.3
72.08155	100.0
73.08491	0.3
76.12818	0.2
77.08690	0.3
79.05482	0.5
81.07064	0.7
82.30901	0.2
83.05013	0.4
83.08635	0.2
85.02907	1.0
86.09735	0.3
91.05484	0.8
93.07057	0.8
95.08617	0.4
97.02900	0.2
98.97581	0.4
103.05484	0.6
105.07031	0.9
106.04922	0.4
107.04974	0.7
107.08601	0.5
109.06538	0.5
109.10187	0.2
111.04459	0.4
113.84576	0.2
117.03470	0.3
117.06940	0.3
119.08598	0.6
120.08106	12.7
121.06551	0.4
121.10141	0.5
122.07181	1.7
131.04887	0.3
131.08629	0.8
133.10147	0.3
135.08134	0.5
136.06213	0.3
137.05983	0.3
144.04756	0.3
145.02823	0.4
145.10178	0.3
147.04434	0.6
147.08104	0.3
149.06033	0.3
149.09633	0.4
159.11769	0.5
161.01198	0.3
161.09648	0.2
166.08636	11.7
177.05504	1.3
219.15031	0.5
237.09271	0.3
247.13437	0.4
249.03038	0.2
265.08646	0.7
265.12204	0.4
265.15549	4.3
265.18124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1547
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03943	0.7
55.05514	11.9
56.05040	0.5
56.96576	0.4
57.05812	0.9
67.05507	0.4
69.03436	1.0
71.04962	0.4
71.44836	0.5
72.08157	100.0
79.05511	0.4
81.03447	0.4
81.07058	0.6
84.35498	0.4
85.02926	0.9
91.05487	0.7
93.07069	0.8
94.49985	0.3
94.87056	0.3
97.02881	0.4
101.16734	0.3
103.05446	0.6
105.07056	0.5
107.08645	0.3
109.06465	0.4
111.08002	0.3
120.08112	18.6
122.07150	1.0
131.04933	0.5
131.08530	0.4
136.06206	0.4
143.08578	0.4
145.02872	0.4
145.10147	0.5
149.06032	0.4
158.33025	0.3
166.08641	10.5
173.09679	0.5
177.05504	1.2
219.15164	0.5
224.70557	0.3
247.07620	0.5
247.13385	0.4
265.08716	0.3
265.15503	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	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.41859	2.3
55.01857	2.4
55.05517	12.2
56.96567	3.0
65.03944	5.9
67.05502	18.8
69.03445	25.0
69.07072	3.2
71.04990	6.9
71.16429	6.2
72.08150	7.7
78.06064	2.6
79.05505	12.1
81.03448	4.1
81.07051	18.6
83.04987	6.8
85.02939	4.0
85.06526	2.7
86.09721	5.8
91.05486	32.0
93.03416	4.4
93.07058	39.7
95.04971	24.9
95.08615	13.8
97.02919	5.2
97.06540	7.4
98.83643	2.7
98.97561	4.8
99.04448	4.5
103.05465	10.1
105.07034	42.3
107.04967	4.7
107.08597	16.5
109.06522	17.8
109.10177	4.7
111.04452	21.1
111.08072	6.6
113.06008	11.4
115.05431	3.5
117.07038	16.0
119.08585	52.4
120.08120	100.0
121.02868	8.8
121.06513	25.0
121.10137	23.0
122.07193	12.0
123.04398	2.7
123.08090	17.4
125.05964	2.5
128.06239	3.2
129.06981	9.9
130.07773	4.2
131.08575	29.9
132.05692	2.7
133.06485	6.8
133.10149	14.4
135.07089	4.8
135.08066	53.4
135.11671	2.5
137.09612	9.6
139.03914	9.4
139.07500	7.1
141.07022	4.2
142.07767	5.2
143.08542	12.0
144.09354	5.5
145.06487	10.5
145.10118	20.1
147.08064	28.0
147.11655	11.9
149.05995	4.0
149.09633	20.9
151.07477	3.1
153.07031	3.1
153.09178	3.4
155.08553	7.0
156.09366	6.9
157.10161	17.3
158.07292	10.8
159.08037	24.0
159.11700	28.3
160.08867	5.0
161.09645	21.9
163.07567	4.6
165.09135	18.5
168.09480	4.3
169.10089	3.3
171.08038	3.6
171.11755	5.9
172.08850	14.9
173.06018	3.6
173.09673	10.4
173.13234	12.4
174.10522	3.0
175.07570	43.1
175.11139	19.6
177.00700	2.7
177.05457	11.6
177.09113	3.1
183.11697	6.8
185.09544	3.8
187.07521	2.9
187.11194	29.3
189.09097	11.1
189.12782	8.2
191.07027	3.0
193.08640	11.6
196.08888	5.6
199.11256	6.2
201.12759	24.1
203.10680	32.1
205.08620	3.8
205.12221	6.4
207.10265	3.5
211.11258	16.6
217.12212	16.6
219.13783	8.7
229.12242	21.5
235.13345	5.9
247.13319	41.1
265.06201	3.5
265.14563	55.7
265.17874	5.7
265.25214	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	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03944	4.0
55.01877	3.5
55.05504	7.6
56.05040	4.1
57.07068	22.0
60.79604	3.7
65.03947	5.6
67.05499	22.4
69.03442	24.6
69.07050	4.7
71.04998	6.5
71.22775	9.3
72.08157	15.7
78.51886	3.8
79.05495	14.9
81.03419	15.9
81.07063	16.1
83.04984	10.2
83.08620	3.5
83.13080	3.2
85.02889	6.5
85.06557	18.2
91.05470	33.4
93.03459	4.3
93.07048	31.3
95.04976	34.3
95.08612	13.8
97.02892	6.3
97.06504	5.6
99.04439	5.2
103.05441	6.1
105.07030	42.2
107.08593	13.4
109.02876	19.3
109.06499	19.2
109.10149	6.6
109.43660	3.6
111.04447	17.4
111.08099	6.2
113.06000	7.5
116.06269	3.6
117.03368	8.3
117.07030	14.3
119.08571	65.2
120.08109	100.0
121.02872	9.6
121.06511	26.8
121.10138	11.5
122.07168	14.4
123.08089	18.7
129.07001	12.3
130.07747	4.1
131.08565	28.4
133.10127	19.6
135.08072	54.2
137.09639	12.7
139.03891	8.4
142.07809	7.0
143.08560	14.3
144.09358	5.4
145.02864	28.7
145.06482	4.3
145.10139	28.6
147.08023	32.1
147.11606	9.2
149.05983	7.3
149.09631	7.7
149.13292	4.1
153.09178	4.4
155.08534	8.0
156.09386	5.7
157.10178	16.1
158.07281	10.2
159.08067	26.6
159.11705	22.6
161.09633	28.7
161.13330	4.4
162.17424	4.9
165.09077	20.0
168.09354	4.0
169.10120	4.0
171.08025	7.8
171.11743	6.6
172.08812	18.1
173.09653	11.5
173.13278	9.6
175.07538	50.9
175.11150	20.7
177.05473	45.7
178.89523	4.5
183.11745	7.5
185.09607	4.0
187.11174	26.1
189.09155	8.3
189.12788	10.1
193.08597	14.0
196.08867	6.2
199.11186	6.5
201.12782	28.4
203.10680	35.4
207.10246	5.0
211.11237	13.0
217.12276	22.4
229.12219	20.6
235.13344	5.5
247.13382	36.1
265.10535	6.0
265.14548	58.2
265.17953	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	265.1436
Annotation	Phomenone
Peak:m/z	Relative Intensity
52.41110	4.4
55.01883	9.3
55.05519	27.4
56.96566	19.0
57.03434	6.8
59.05004	6.0
62.49499	5.0
65.03955	5.3
67.05502	29.6
69.03420	25.3
69.07080	26.0
69.40804	4.4
69.67757	4.3
71.04989	8.5
71.59653	7.7
79.05479	29.8
81.03411	13.0
81.07065	78.5
83.04969	47.2
83.08636	13.4
85.02905	10.5
85.06556	9.4
87.16251	5.3
91.05476	32.6
91.19903	4.7
93.07047	37.5
95.04977	16.7
95.08607	55.8
97.02897	12.0
97.06544	16.6
97.10181	11.3
98.05981	6.0
98.97588	14.3
99.04473	4.7
99.08092	5.5
103.05573	5.6
105.07059	33.9
107.04964	19.5
107.08588	46.4
109.02885	18.8
109.06525	17.1
109.10178	21.5
111.04428	22.8
111.08087	7.4
111.11745	5.8
113.06022	10.3
115.05464	19.1
116.98661	10.8
117.07048	25.2
119.08568	28.2
121.06491	31.9
121.10161	18.3
122.07169	32.6
123.08108	12.0
123.11739	7.5
125.06068	5.1
125.09635	6.2
127.03920	6.4
129.07004	13.4
131.08530	23.8
133.06528	8.7
133.10121	14.1
135.08052	84.3
135.11687	15.5
137.09636	6.3
137.13278	5.4
143.08568	11.3
144.04761	8.4
144.05750	8.3
145.06462	45.8
145.10159	21.0
147.08067	13.3
149.09637	20.2
149.13185	5.3
153.09085	11.7
156.05710	9.7
158.10880	6.0
159.08092	19.3
159.11726	26.7
160.08765	5.7
161.05942	10.9
161.09612	10.0
163.07562	55.0
163.11211	15.8
165.09178	7.6
167.06979	32.0
168.09373	5.8
170.10985	7.4
172.08777	6.6
173.05997	59.1
173.09634	14.1
173.13278	25.6
175.07532	6.9
183.11720	8.7
186.10426	8.9
187.07591	21.5
187.11191	52.4
190.06218	22.9
191.06978	25.0
191.10576	7.2
201.12769	52.7
203.07002	9.5
205.08585	56.3
205.12291	21.2
207.10126	7.2
209.08180	8.5
211.11177	9.6
215.07137	9.8
217.08580	26.3
219.10149	9.1
219.13834	18.7
229.12234	58.6
229.15869	6.7
241.25748	5.3
244.09628	9.5
247.09779	17.4
247.13307	100.0
247.16972	11.1
249.02704	8.7
265.08463	12.8
265.10822	12.3
265.14297	24.0
265.19223	6.8
265.21942	7.7
265.25177	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03943	4.8
55.05490	12.0
56.96543	9.7
57.03399	3.9
57.07075	4.7
58.99918	3.4
64.26509	3.2
65.03917	9.9
67.05502	26.2
69.03430	37.0
69.52872	26.3
71.04975	14.7
72.08154	3.7
79.05486	21.2
81.03402	9.6
81.04523	4.8
81.07068	30.2
83.04958	8.6
84.04472	5.0
85.02876	4.7
85.06523	8.9
91.05479	50.4
93.03356	4.8
93.07040	43.4
95.04964	41.3
95.08602	23.6
97.02863	4.7
97.06521	13.9
98.21474	7.6
99.04450	8.6
103.05477	6.5
105.07030	68.9
105.07688	2.9
107.08603	25.7
108.34525	3.2
109.02869	9.9
109.06520	37.4
109.10120	10.7
111.04433	28.3
111.08034	10.4
113.05994	17.0
115.05457	6.2
116.06205	4.7
117.03364	5.6
117.07023	20.0
119.04940	4.8
119.07806	3.7
119.08572	79.0
121.02843	14.4
121.06511	42.9
121.10157	17.0
122.07180	16.8
123.04395	4.1
123.08064	23.0
123.11735	3.9
125.05929	4.6
127.07511	4.2
128.06224	7.5
129.07027	19.4
130.04938	6.6
130.07742	5.9
131.08553	47.7
133.06462	13.0
133.10132	27.1
135.06984	4.3
135.08057	78.2
135.11646	5.3
137.05945	7.5
137.09578	17.4
139.03911	9.4
139.07530	8.1
141.07025	7.8
142.07738	14.7
143.08542	17.4
144.04660	4.2
144.09334	7.3
145.02841	10.3
145.06474	17.4
145.10118	30.1
146.07169	6.3
147.08035	46.0
147.11670	17.4
148.08687	3.7
149.06015	9.4
149.09605	14.3
151.07484	5.6
153.06982	6.9
153.09122	4.1
153.12701	12.6
155.08534	7.2
156.09351	5.9
157.06548	5.5
157.10132	26.2
158.07272	22.3
158.10864	5.5
159.08096	43.2
159.11678	44.3
160.08778	5.6
161.01262	5.1
161.09607	40.8
161.13220	6.1
163.07527	5.9
165.09135	31.8
168.09384	7.0
169.10126	5.4
171.08051	7.6
171.11658	12.3
172.08795	21.2
173.05894	3.7
173.09621	25.9
173.13261	21.8
175.07542	63.3
175.11177	35.0
177.05496	30.0
181.10054	4.2
183.11661	16.7
185.09552	7.2
186.10338	5.7
187.02898	4.4
187.07462	6.2
187.11194	45.7
188.08403	3.8
189.09084	13.5
189.12720	16.7
191.07076	6.3
193.08621	22.0
196.08745	7.4
199.11179	15.2
201.12766	39.5
203.10648	53.3
204.03751	4.1
205.12268	9.5
211.11163	26.8
213.04129	5.0
217.12186	26.3
219.13809	15.7
222.04622	10.6
229.12228	33.5
235.13290	9.9
247.13284	61.2
249.02730	6.3
265.08627	6.5
265.14334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.05505	10.5
56.96556	7.2
57.07079	5.9
65.03931	5.6
67.05503	30.2
69.03432	29.6
69.07060	4.1
69.93160	19.4
71.04979	9.8
72.97277	3.0
73.04779	3.4
79.05500	18.6
81.07047	17.2
83.04991	4.0
85.06519	3.9
87.54869	3.5
91.05484	56.2
93.03371	6.2
93.07045	51.6
95.04971	45.9
95.08608	26.3
97.02879	6.0
97.06534	7.7
98.10732	3.3
98.21422	5.6
99.04454	6.0
103.05445	3.9
105.07029	66.7
107.04980	4.9
107.08587	24.5
109.02909	11.4
109.06496	33.8
109.10158	8.9
111.04428	30.2
111.08080	11.3
113.06025	17.8
115.05444	6.9
117.03392	6.3
117.07037	18.2
119.08581	94.3
121.02880	9.9
121.06510	44.6
121.10121	17.2
122.07130	7.1
123.08054	24.1
124.99044	3.9
128.06215	7.9
129.07040	15.0
130.05008	5.0
130.07755	8.3
131.04927	5.2
131.08557	43.5
133.06461	8.6
133.10124	25.1
135.08054	89.3
137.06012	5.2
137.09625	14.1
139.03926	12.9
139.07500	8.0
141.07024	8.3
142.07793	10.0
143.08589	14.0
144.05696	6.8
144.09334	10.7
145.02873	21.1
145.06497	13.6
145.10146	34.8
146.07210	5.0
147.08047	46.0
147.11659	20.3
149.05960	6.4
149.09605	12.8
151.07527	9.9
153.07053	5.1
154.07715	4.7
155.08571	7.1
156.09312	5.1
157.06458	4.7
157.10162	21.7
158.07266	20.9
158.10873	5.6
159.08076	42.0
159.11703	45.5
160.08836	7.6
161.06036	5.1
161.09621	41.2
161.13280	6.3
163.07590	4.1
165.09131	28.5
168.09407	8.0
169.10118	8.0
171.08025	10.6
171.11734	11.2
172.08804	22.1
173.09668	17.4
173.13275	16.7
175.07562	75.7
175.11171	33.8
177.05475	33.8
181.10165	5.5
183.11713	12.5
185.09520	5.6
186.10434	7.6
187.11185	40.8
189.00838	5.3
189.09108	11.8
189.12758	18.9
193.08617	21.9
196.08897	6.4
199.11183	15.4
200.19653	3.8
201.12762	35.1
203.10670	54.6
205.12308	8.5
207.10289	5.1
211.11166	26.4
213.04147	8.5
217.12195	31.4
219.13802	12.2
222.04631	18.2
229.12262	26.0
231.01859	7.9
235.13387	10.2
247.13330	60.0
249.02924	9.6
265.14355	100.0
265.17206	6.0
274.08502	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	265.1282
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
53.03934	2.5
55.05505	2.9
56.96561	3.7
57.03434	4.0
57.07074	100.0
61.57196	1.2
67.05497	3.9
69.03426	11.7
70.06598	2.2
71.04987	2.8
71.57924	1.6
79.05503	2.4
81.03416	60.9
81.04528	4.2
81.07056	3.6
83.04990	3.3
84.04554	1.4
85.02899	10.8
85.06541	73.9
91.05479	1.9
93.07034	3.6
95.05020	2.0
95.08607	1.9
97.02879	2.7
98.97614	1.8
99.04452	6.3
103.07574	4.3
105.07041	3.6
107.04966	1.5
107.08604	2.4
109.02879	53.6
109.06529	2.5
111.04462	1.9
116.98568	1.7
117.07001	2.0
119.01854	1.7
119.08612	2.5
119.97465	1.2
121.06501	1.6
121.10154	2.0
122.07143	40.8
123.92853	1.4
127.03873	9.2
129.06998	1.3
131.08580	2.7
133.10170	2.6
134.99612	1.2
135.08023	2.6
135.11719	1.3
138.00598	1.4
143.08586	1.5
144.04788	11.0
145.02832	1.6
145.04962	3.3
145.10109	2.5
147.08011	1.8
159.08101	2.4
159.11696	1.6
161.09679	1.9
163.03885	2.7
163.06026	2.2
173.13370	1.6
177.00758	1.7
183.11711	1.5
187.11157	1.3
193.08534	1.4
201.00734	2.1
217.38895	1.4
229.10573	1.9
247.11539	8.1
265.18155	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1282
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
53.03941	5.2
55.71459	1.0
57.03412	3.1
57.07075	100.0
57.99324	1.0
66.32556	1.0
69.03416	3.5
70.70377	3.8
71.04979	2.8
77.77789	1.1
81.03415	75.0
85.02912	9.2
85.06543	61.8
99.04451	5.7
101.02377	1.5
102.54441	1.1
103.07597	6.1
109.02878	82.6
110.07884	0.9
122.07119	2.8
122.43159	1.3
127.03917	9.5
145.04948	2.3
163.06001	1.8
221.80646	1.2
229.10622	1.8
247.11682	9.2
265.12726	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	265.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31516	1.0
53.03931	4.5
57.03429	3.2
57.07074	85.1
61.42762	1.2
69.03415	3.8
70.52281	2.2
70.52679	2.8
71.04989	3.5
81.03416	74.5
85.02901	9.0
85.06542	92.6
86.06877	1.5
99.04469	6.2
103.07593	4.9
109.02878	100.0
127.03922	13.9
133.62682	1.2
145.04961	3.1
163.05995	2.3
215.72076	1.1
218.57057	1.0
229.10649	2.1
247.11780	13.3
265.12741	5.0
285.94299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1122
Annotation	Thiamine
Peak:m/z	Relative Intensity
54.03463	0.4
54.99172	0.3
55.01872	0.7
55.05511	0.7
56.05045	0.3
56.96573	4.2
57.03427	1.3
61.02921	1.1
67.05493	0.6
69.03433	2.4
70.06584	0.6
70.59877	1.1
72.08157	0.9
73.02925	1.5
74.06068	0.3
79.05473	0.5
80.05006	1.0
81.03423	0.7
81.04548	12.4
81.07082	0.6
83.08614	0.3
84.04479	0.3
84.08151	0.8
85.02905	3.6
86.09734	0.3
87.04504	0.7
87.64799	0.3
91.05469	0.7
93.07069	0.8
95.04951	0.5
95.08598	0.5
97.02901	3.3
98.97591	2.2
99.04430	0.6
105.07064	0.6
107.04980	0.4
107.08596	0.6
109.02863	0.7
110.07165	0.9
111.04460	0.3
113.02983	0.9
115.00542	0.3
115.03918	0.6
116.98616	1.8
118.08643	1.4
119.01882	1.0
119.04943	0.5
119.08582	0.5
121.01690	0.6
121.10101	0.3
122.07159	100.0
126.03717	0.7
127.03941	1.5
128.98637	0.8
131.01886	0.4
133.01675	1.0
133.03421	0.5
134.99670	1.8
137.04616	0.8
139.02609	0.3
140.02318	0.3
143.01860	0.4
144.04793	27.1
144.98189	0.3
145.01648	1.2
145.04953	0.5
146.99675	0.9
147.03297	0.3
147.04454	0.4
147.08083	0.4
149.01241	0.5
149.02895	0.6
149.09607	0.3
150.05521	0.4
154.94170	0.3
155.01874	0.4
155.04680	0.6
156.07697	0.9
157.01694	0.5
158.99680	0.9
159.03207	0.3
159.08084	0.4
161.01212	0.6
161.02899	0.5
163.02692	2.5
164.55386	0.3
165.00644	0.4
167.02420	0.3
170.05141	0.3
171.01274	0.3
172.95242	0.9
173.02980	0.5
173.09785	0.4
175.02760	0.9
175.04439	1.2
177.00728	0.9
181.03786	0.3
184.03467	0.4
184.04921	2.3
185.02907	0.3
186.04454	0.4
187.01056	0.7
187.02805	0.7
187.10854	1.0
190.96196	0.4
190.98633	0.6
193.00215	0.4
193.03842	0.7
200.04468	0.5
201.00719	1.1
201.02434	0.5
204.54700	0.4
205.00197	0.9
205.03885	0.5
205.05470	2.4
205.55838	0.3
208.99760	0.3
214.05984	0.6
218.98280	0.4
219.01868	1.3
221.04953	0.5
223.01237	0.9
223.04842	0.5
237.02834	0.8
245.04933	0.4
246.05334	0.4
247.04803	0.4
247.10770	0.4
247.13397	0.5
250.07634	0.4
256.07004	0.4
261.08023	0.4
265.02045	0.6
265.05988	1.2
265.08765	0.3
265.11160	1.4
265.15259	0.3
283.02618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05512	0.9
56.96560	4.8
57.03436	1.2
57.07054	0.5
59.04990	0.5
61.02919	1.6
66.05293	0.4
67.05512	0.7
69.03423	2.5
69.07054	0.6
70.06587	0.9
71.01355	0.5
71.57908	0.6
72.08145	0.6
73.02918	0.9
75.05622	0.4
77.01460	0.4
78.15707	0.4
79.05466	0.4
80.05019	0.8
81.03445	0.7
81.04540	11.4
81.07056	1.1
85.02905	3.4
86.03262	0.5
87.04456	1.0
91.03965	0.4
91.05483	0.5
93.07042	0.5
95.04980	0.7
95.08617	0.7
97.02898	2.3
98.97578	3.5
105.07030	0.6
107.04971	0.5
107.08597	0.8
109.02864	0.9
109.06599	0.5
109.10117	0.4
110.07170	0.6
113.02965	0.9
115.03920	0.6
116.98611	3.0
118.08640	0.4
119.01815	0.4
119.08544	0.5
121.01619	0.5
121.06550	0.4
122.07153	100.0
126.03716	0.6
127.03899	1.3
128.02295	0.5
128.98633	0.8
131.08635	0.7
133.10100	0.7
134.99699	1.8
135.08066	0.7
136.06171	1.2
144.04788	25.4
145.04977	0.6
146.99652	1.3
155.04636	3.1
155.54906	0.6
158.99651	1.2
159.11682	0.6
161.01270	0.7
163.02763	0.8
164.05202	1.2
165.00705	0.8
165.06691	0.6
175.02626	0.9
177.00700	1.7
177.05511	1.0
184.03091	0.4
184.04861	0.4
193.03720	0.5
201.00681	1.7
201.12744	0.6
204.04683	1.3
204.54897	0.6
205.00244	0.8
205.05481	0.5
219.01830	1.4
219.13806	0.7
220.06006	1.2
223.01338	1.1
237.02876	1.3
245.31213	0.4
247.01221	0.4
247.04875	0.5
247.13055	0.5
249.06197	0.6
260.04541	0.4
265.02808	0.4
265.05969	1.7
265.11295	2.2
265.14105	0.8
265.25247	0.6
268.29681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01872	2.8
55.05527	1.9
57.03436	24.7
59.05008	4.6
59.05323	1.4
61.02920	4.5
61.59266	1.4
61.74367	1.4
63.68471	1.4
67.05504	2.9
68.77354	1.5
69.03429	100.0
71.01357	1.8
71.04987	4.7
71.37194	2.7
73.02921	6.6
73.13693	1.4
75.04493	2.9
75.98970	1.7
81.03419	16.5
81.07062	4.6
83.01350	2.4
83.04977	5.1
85.02909	51.4
87.04471	43.9
91.03956	2.1
91.05495	3.1
95.04958	2.6
95.08641	3.2
97.02892	58.8
99.04454	16.5
101.02383	4.6
103.03951	5.8
107.04941	1.8
107.08596	1.6
109.02876	2.7
109.06559	2.2
111.04423	3.2
115.03933	57.7
115.04750	2.9
117.05500	10.6
123.04481	1.7
127.03915	14.5
131.03426	3.1
133.04961	55.6
139.03905	6.1
143.03381	4.0
145.04947	7.8
145.06473	3.2
149.04442	7.9
153.05463	1.8
157.04982	15.3
161.04501	4.6
163.03929	1.9
165.05464	1.7
169.04916	1.7
173.05907	3.4
175.06038	5.9
181.04976	1.8
183.06473	1.9
193.05023	2.8
195.11604	2.4
199.06035	4.3
205.08609	3.4
211.06033	4.3
217.07014	1.7
229.07050	19.3
246.58351	1.7
247.08121	4.7
265.09164	5.6
265.19531	3.5
265.21921	1.8
283.75137	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01891	0.9
55.05513	36.7
57.07086	1.1
57.79003	0.9
58.21757	0.8
67.05499	2.8
69.07046	1.8
69.56192	8.2
77.11274	1.0
79.05486	1.9
81.07055	3.6
83.08620	33.8
87.32167	1.1
91.05466	2.1
92.20573	1.2
93.07039	1.9
95.08595	4.5
98.09707	1.4
98.21477	1.9
105.07038	2.9
108.00301	2.2
109.10221	1.1
119.08582	3.3
121.10141	2.0
122.00603	1.3
122.07163	2.5
123.11716	1.0
136.02164	1.1
143.08557	1.2
150.02486	1.2
153.98485	1.0
157.10179	1.5
159.11726	2.3
165.07112	1.3
165.97823	100.0
169.10262	1.4
171.11658	1.6
179.08553	1.1
180.65021	1.0
181.10153	1.7
183.00471	63.6
193.10158	2.0
195.11702	3.2
197.13309	1.2
207.00476	10.2
207.11871	1.2
208.12407	1.9
209.13278	5.3
221.13194	1.4
223.14801	7.3
235.14926	1.7
250.17227	2.1
265.08307	96.5
265.19553	21.9
266.08652	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89212	0.9
55.05505	2.5
58.06590	2.8
60.04531	20.9
60.16656	0.8
67.05506	5.5
69.07061	3.1
70.54158	0.9
70.54498	3.1
71.24053	0.9
77.73334	0.8
79.05487	1.5
81.07058	14.0
83.08608	1.7
84.08152	5.2
85.06081	1.1
85.06552	16.0
85.62090	0.9
87.85836	0.8
89.05431	0.8
91.58508	0.8
93.07052	8.7
95.08604	11.3
97.06437	1.0
97.10176	1.3
105.07020	2.7
107.08611	8.0
109.06548	1.1
109.10171	9.4
119.08561	3.1
121.10147	23.3
122.07162	1.2
122.09656	5.5
123.11720	4.1
124.11182	1.5
131.08513	1.5
133.10130	2.6
135.11723	5.2
136.11305	1.0
145.10037	0.9
147.11775	1.8
149.13278	10.7
163.14819	3.6
180.17473	24.2
181.62656	0.9
189.16406	4.5
195.11761	1.2
205.19539	14.6
206.19046	61.0
209.13225	1.2
223.15012	1.3
229.19499	1.1
246.22235	5.4
247.20651	1.1
264.23242	100.0
265.19537	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	264.2323
Annotation	Victoxinine
Peak:m/z	Relative Intensity
57.07057	0.7
58.06604	12.0
60.04518	3.0
67.05516	1.5
69.07067	1.5
71.60308	0.8
79.05452	1.2
81.07069	3.3
83.17142	0.7
86.61005	0.6
91.05489	1.1
93.07081	3.4
95.08620	3.5
105.07005	2.4
107.08591	2.5
109.10162	2.2
119.08587	1.0
121.10145	3.7
122.83013	0.7
123.11762	0.9
126.18726	0.7
131.08568	0.7
133.10130	3.6
135.11659	1.4
147.11629	2.3
149.13257	1.7
150.57892	0.7
151.11128	0.7
163.14842	1.6
189.16420	3.7
205.19525	1.9
206.19073	1.1
207.17526	1.7
229.19511	1.0
246.22215	4.9
248.27980	0.7
264.23239	100.0
265.23471	0.9
281.68246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01873	1.1
57.03426	3.3
57.07071	3.0
60.04527	5.4
61.02928	4.7
65.03965	0.9
67.05513	1.0
69.03430	13.9
69.07073	5.8
70.06578	2.0
71.04981	2.0
71.32392	1.3
73.02917	2.1
81.03412	4.1
84.04507	5.5
84.08147	0.9
85.02905	78.8
86.03242	1.0
87.04469	1.1
87.81053	0.8
91.03960	1.5
91.05482	34.6
93.07059	1.0
94.55287	1.0
97.02892	11.9
99.04477	1.6
102.09182	100.0
109.02882	7.0
127.03918	15.0
127.04803	1.2
145.04938	7.0
159.48672	0.8
172.53899	1.0
228.15849	1.1
264.12198	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	264.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.5
56.96572	1.0
57.07073	1.5
58.73906	1.3
58.91372	1.0
60.04523	98.6
62.42521	1.2
62.45130	0.9
67.05514	8.2
69.07066	8.6
71.36647	2.4
79.05485	5.1
81.06576	2.6
81.07052	42.5
83.08594	1.4
91.05486	3.6
93.07037	29.0
95.08601	17.2
97.10163	2.3
99.60310	1.2
105.07005	2.4
107.08595	13.1
109.10152	12.0
119.08569	1.9
121.10140	100.0
123.11713	5.3
135.11678	10.8
149.13249	25.0
154.94199	2.1
168.13026	1.2
168.95575	1.2
172.95253	1.3
185.92358	1.1
186.96768	8.1
204.97893	5.0
205.19518	50.4
224.98453	1.5
264.18201	2.0
264.23505	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.02394	1.4
55.05511	15.7
57.03416	1.6
57.07071	11.9
67.05508	82.9
69.07071	17.3
69.24840	5.0
69.25264	9.6
71.04977	1.9
71.08616	6.7
72.61134	1.4
79.05493	21.6
81.07059	100.0
83.04963	3.5
83.08608	12.0
85.06547	4.7
85.10167	4.2
85.11560	1.2
91.05483	17.2
93.07045	27.4
95.04980	2.4
95.08608	82.7
97.06528	6.2
97.10162	6.0
99.08105	6.1
105.07027	16.6
107.08605	19.1
109.10163	40.9
109.10921	1.9
111.08078	3.2
113.09635	2.3
118.70387	1.5
119.08588	18.9
121.10155	18.0
123.08044	2.1
123.11703	17.8
124.47407	1.2
127.11169	2.8
133.10126	18.6
135.11717	13.0
137.09618	3.0
137.13246	7.8
147.11693	11.9
149.13260	10.1
151.14783	3.9
161.13260	15.5
163.14825	7.3
165.16364	8.0
175.14867	9.1
177.16420	2.3
179.18016	2.8
189.16370	5.6
195.48502	1.5
203.17923	4.4
205.19412	1.8
245.22675	37.7
263.23718	89.0
264.23767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23037	0.8
50.76960	0.9
55.01862	1.8
57.03419	4.1
57.07076	1.5
60.04542	4.0
61.02940	4.9
64.39217	0.8
67.05512	1.5
69.03428	13.7
69.07059	5.9
70.06600	6.3
71.04974	2.1
71.06931	1.5
71.58960	1.7
73.02900	2.1
79.79929	0.9
81.03404	5.2
82.85286	0.9
84.08144	1.1
85.02903	72.6
91.03952	1.2
91.05490	4.4
93.07063	1.2
97.02886	11.5
99.04464	3.9
102.09180	100.0
103.09493	1.8
109.02882	7.1
109.64532	0.8
114.05590	0.8
116.07081	9.2
117.07437	4.4
120.08118	7.4
121.08451	9.1
122.07133	1.2
123.04448	3.0
124.07630	1.0
127.03905	13.6
128.07109	1.6
128.75153	0.8
145.04973	7.4
148.67188	0.8
157.70934	0.8
178.04950	0.9
245.26132	0.9
264.08585	2.3
264.11896	1.4
264.14426	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03944	2.6
55.05511	15.2
57.03434	3.2
57.07065	12.0
59.68415	2.0
64.47261	1.8
65.03925	3.6
67.05502	92.1
67.25579	2.0
67.73822	2.0
69.07058	18.3
69.36167	2.3
69.36449	22.1
71.04989	3.4
71.08620	6.9
79.05490	22.1
81.07056	100.0
83.08613	14.5
84.47794	2.0
85.06543	5.6
85.10171	3.1
91.05483	18.9
93.07036	27.6
95.08606	93.9
97.06532	7.3
97.10143	9.2
98.20759	3.3
99.08080	6.6
105.07020	18.3
105.39836	1.9
107.08577	16.7
109.10153	48.1
111.08064	6.5
113.09689	3.2
119.08572	14.2
121.10141	20.0
123.08051	2.6
123.11719	18.6
133.10114	15.4
135.11685	8.2
137.13242	6.4
141.12723	3.3
147.11650	12.6
149.13261	8.5
151.11107	2.3
151.14842	7.1
161.13309	13.2
163.14815	7.1
165.16423	8.1
175.14822	8.0
178.42825	2.1
179.17950	4.3
189.16385	3.8
192.09349	2.8
207.11714	5.6
219.11621	2.4
220.12515	3.5
221.13202	5.6
230.10329	2.1
233.13214	5.0
234.14111	2.6
245.22661	42.2
248.15622	5.9
263.10654	2.5
263.14636	3.4
263.17877	22.0
263.23730	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03926	1.4
54.03651	1.0
55.01848	1.1
55.05508	15.1
57.03407	1.8
57.07074	10.7
65.03929	2.6
67.05504	78.9
69.07066	19.7
71.08617	5.3
71.20946	2.7
79.05075	1.1
79.05499	19.4
81.07056	100.0
82.89693	1.0
83.04948	2.1
83.08614	13.3
85.06527	4.0
85.10178	3.1
91.05475	18.6
92.22816	1.1
93.07042	26.3
93.07621	1.8
95.04973	2.2
95.08607	89.3
97.06548	7.3
97.10165	8.8
99.08082	4.6
103.67948	1.0
104.99255	3.4
105.07027	20.8
107.08601	20.0
109.06522	2.6
109.10155	49.3
111.08064	4.8
113.09626	3.1
119.08590	22.1
121.10155	21.9
123.08082	3.7
123.11706	24.3
125.09625	1.9
127.11162	1.9
131.08630	1.6
133.10141	18.9
135.11679	10.5
137.09627	1.9
137.13252	7.4
141.12727	2.3
143.08574	1.6
145.10115	1.4
147.11685	22.9
149.13254	12.5
151.11166	1.9
151.14832	7.2
155.14334	2.5
155.82309	1.1
157.10120	2.6
161.13248	13.3
163.14810	9.3
165.16396	10.4
175.14842	9.6
177.16478	2.0
179.14343	1.4
179.17932	3.2
181.15967	1.2
189.16428	3.4
203.17981	14.2
206.10931	1.8
207.11722	2.3
217.19438	1.2
220.12263	1.2
221.13242	2.4
238.10365	1.2
245.22638	38.5
248.15576	1.9
263.10645	1.4
263.18253	6.4
263.23715	91.2
264.23288	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03942	2.8
55.05507	17.1
57.03444	3.0
57.07074	12.4
60.04520	2.5
61.89770	1.6
65.03951	3.0
67.05503	76.4
69.07070	21.7
71.04996	1.8
71.08618	5.9
71.11565	4.1
79.05489	23.0
81.07056	100.0
83.04977	3.8
83.08610	15.6
85.06541	4.9
85.10213	2.8
91.05487	22.1
93.07034	27.4
95.04987	4.0
95.08604	79.3
97.06546	11.4
97.10189	5.9
99.08093	6.1
104.99249	1.8
105.07037	12.2
107.08588	14.8
109.06530	2.6
109.10155	46.7
111.08099	7.4
111.11669	1.8
113.09595	3.4
119.08585	13.8
121.10141	18.2
123.08115	3.6
123.11710	19.1
131.04895	2.1
133.10120	16.1
135.11697	9.4
137.09636	5.1
137.13249	9.3
141.12764	4.0
143.08621	2.2
147.11665	11.4
149.13242	9.3
151.14819	8.6
161.13235	9.8
163.07500	2.5
163.14795	8.2
165.16414	7.6
173.99702	1.7
175.14880	7.4
177.16438	2.6
179.08479	3.1
179.17917	2.9
181.15854	2.0
189.16417	4.1
192.09409	2.8
193.10109	5.0
206.10939	2.8
207.11713	8.5
219.11743	5.3
220.12450	3.3
221.13264	9.5
233.13321	4.4
234.14015	2.6
245.22704	28.4
246.22906	2.6
247.11690	2.7
248.12114	2.4
248.15604	5.4
263.05493	2.1
263.14731	24.7
263.17975	28.1
263.23773	93.4
264.23160	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05513	14.5
56.81268	1.5
57.03427	3.8
57.07076	12.0
59.78090	1.6
65.03925	2.1
67.05506	79.5
69.07072	15.6
69.27122	20.0
71.04989	1.9
71.08627	5.3
79.05495	17.3
81.07057	100.0
83.08619	11.7
85.06542	5.1
85.10210	3.8
91.05471	13.8
93.07041	17.8
95.04984	2.7
95.08608	85.7
97.06522	6.9
97.10175	7.6
99.08105	4.9
105.07033	13.1
107.08593	15.5
109.10159	46.0
111.08084	5.3
113.08635	1.5
113.09608	2.9
119.08575	14.1
121.10145	18.8
123.11697	17.5
125.09677	2.5
127.11193	2.2
133.10143	17.6
135.11728	9.0
137.09683	2.6
137.13237	7.1
147.11713	11.1
149.13263	8.5
151.11226	2.9
151.14824	6.3
155.14276	2.6
161.13261	15.1
163.14841	7.2
165.16412	13.8
175.14819	8.2
177.16457	2.3
179.17938	7.4
189.16409	3.8
203.17973	2.8
217.19510	3.0
245.22668	39.5
263.17999	3.9
263.23734	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
51.12524	1.1
53.03947	1.8
55.05509	14.8
57.07076	2.3
65.03928	1.4
67.05507	29.0
68.58018	1.2
69.07071	18.5
70.75690	2.3
79.05495	18.7
81.06581	2.4
81.07058	47.5
83.08614	5.0
87.99371	1.1
91.05479	27.2
93.07045	58.9
95.04975	4.6
95.08608	76.3
97.10162	3.1
103.05457	2.2
105.07034	100.0
107.08598	64.5
109.06532	2.4
109.10159	62.1
109.10922	2.9
111.11664	1.4
117.06982	2.3
119.08585	75.0
121.09324	2.1
121.10151	26.7
123.11712	16.9
131.08540	3.6
133.09108	2.0
133.10135	46.7
135.11691	22.0
145.10164	2.9
147.11693	76.7
149.13263	1.6
159.11687	1.6
161.13266	24.3
163.02751	4.7
175.14890	6.5
181.03806	1.2
186.04222	1.4
203.17953	21.6
259.26010	1.2
263.17828	0.9
263.20084	17.5
263.22580	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2008
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
51.15135	1.0
53.03943	2.0
55.05513	14.0
56.96565	2.4
57.07071	1.9
57.63944	0.9
59.05001	1.3
61.12639	0.8
64.72779	1.0
65.03948	1.5
67.05511	32.5
69.07075	18.1
70.63445	2.4
70.63795	1.0
77.03923	1.1
79.05499	16.7
81.07063	54.0
81.84983	1.0
83.08622	5.1
91.05482	32.8
93.07049	58.1
95.04970	3.7
95.08614	76.7
97.10197	4.8
102.53092	0.8
103.05500	2.5
104.99294	3.4
105.07038	100.0
107.08599	62.2
109.06544	2.9
109.10162	61.6
115.05447	0.9
117.07037	2.6
119.08588	78.0
121.10149	22.9
123.10844	1.0
123.11720	16.1
131.08598	3.5
133.10139	46.1
135.11702	17.7
142.09917	0.9
145.01787	1.7
145.10118	3.9
147.11696	70.3
159.11742	2.9
161.13271	25.5
163.02780	8.6
164.03130	1.1
175.14809	4.9
181.03903	4.6
186.04330	3.1
199.36180	1.0
203.17955	19.9
203.19730	1.3
205.65611	1.0
207.11729	1.2
216.29546	0.9
221.13434	1.2
221.18982	1.1
233.13269	1.1
247.54703	0.9
263.14114	0.9
263.17850	2.2
263.20087	12.9
263.22217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
50.65051	2.0
55.05499	8.5
57.07064	5.4
58.06584	6.5
59.43515	2.5
65.03895	2.5
65.25148	2.5
67.05505	19.6
69.07076	11.5
69.42993	4.3
69.43401	17.7
73.02305	2.2
79.05481	13.9
81.07065	42.9
83.04977	5.6
83.08606	4.4
86.28922	2.2
91.05485	21.5
93.07037	21.1
95.08617	42.7
97.06534	2.2
97.10172	3.0
104.99269	10.9
105.06384	3.9
105.07030	47.0
107.08579	22.8
108.21673	2.6
109.10160	34.9
119.08577	41.2
121.10144	19.6
123.11723	37.0
131.08559	6.6
132.08911	2.6
133.10129	42.2
135.11720	7.8
135.28828	2.1
145.10109	5.5
147.11691	79.7
149.13255	2.9
149.16795	2.5
151.11201	7.4
154.72295	2.7
161.09599	2.4
161.13255	19.3
167.64304	2.3
175.14905	4.3
203.17967	100.0
204.18262	3.6
220.12561	2.5
221.18922	13.2
228.45261	2.8
263.22064	70.1
263.59625	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	263.2008
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03934	2.1
55.05501	6.7
57.07083	2.7
64.96164	1.8
67.05510	18.0
69.07078	18.2
71.60119	1.7
71.60528	3.0
71.60895	1.9
79.05486	10.5
81.07060	31.3
83.08619	4.4
83.31293	1.7
91.05483	25.4
93.07053	20.3
95.08611	40.5
95.12785	1.8
97.10221	1.7
104.99257	4.7
105.07035	45.6
107.08601	23.9
109.10164	41.4
117.07059	2.0
119.08584	29.7
121.10155	21.3
123.11729	10.2
131.08519	2.9
133.10144	29.2
135.11682	6.3
143.08604	3.5
145.10132	3.0
147.11696	79.1
149.13255	2.3
157.10184	2.1
161.13249	11.0
163.14784	1.9
175.14833	7.6
203.17969	100.0
206.10760	2.9
207.11731	3.0
217.19550	3.3
221.18991	5.7
234.13972	2.0
245.22743	2.3
263.14557	7.4
263.17834	6.0
263.20096	6.1
263.24118	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	263.2007
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
51.59687	2.4
55.05511	12.5
56.96558	7.3
57.07069	4.4
67.05506	25.5
69.07069	14.7
70.08607	7.1
79.05494	16.3
81.07056	39.2
83.08627	4.1
85.02921	2.7
91.05482	20.0
93.07044	31.8
95.04979	5.4
95.08609	69.1
98.20818	3.4
104.99290	13.1
105.06381	4.1
105.07033	53.5
107.08599	47.5
109.06508	2.6
109.10167	41.9
117.07010	5.7
119.08595	44.2
121.10147	28.7
123.08092	2.3
123.11685	8.3
131.04942	3.4
131.08574	3.7
133.10130	31.9
135.08063	4.0
135.11702	8.5
137.09627	3.0
140.43375	2.2
142.26656	2.2
143.08600	3.3
147.08012	7.9
147.11693	62.3
149.13242	6.3
151.11179	3.9
159.11685	2.5
161.09550	3.8
161.13264	20.9
165.06886	2.6
175.14804	10.9
179.71474	2.7
203.17967	100.0
204.18320	3.1
207.11731	3.4
217.15727	4.4
219.11891	2.9
221.13307	5.0
221.15289	2.8
221.18970	5.0
225.76715	2.3
225.78850	2.4
233.13287	5.0
245.22545	3.1
248.15671	4.2
263.10562	2.9
263.15906	3.3
263.17801	9.1
263.20221	22.7
263.22794	2.6
263.23898	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
52.40113	3.4
55.05503	12.7
56.96546	4.3
57.07074	4.6
64.82854	2.7
66.26369	3.1
67.05507	33.8
67.73535	3.0
69.07067	20.6
71.08617	4.1
71.58059	3.8
79.05492	29.9
81.07056	45.4
83.05009	3.4
83.08617	7.7
91.05484	39.6
93.07046	39.2
93.31895	3.0
94.07386	5.7
95.04970	5.7
95.08617	51.6
98.52151	3.4
104.99271	7.3
105.06388	4.8
105.07042	71.0
106.07355	3.7
107.08592	30.8
109.06499	7.2
109.10157	35.0
117.06997	7.0
119.08584	93.2
120.08939	3.1
121.06492	3.2
121.10136	35.5
122.10509	3.7
123.11690	15.0
131.08531	7.6
133.10139	33.0
135.11690	11.9
147.11693	100.0
157.10092	3.5
159.08011	4.1
161.09637	3.1
161.13290	11.6
175.14815	5.2
189.66321	3.1
193.10130	3.9
203.17982	77.0
206.10995	7.0
207.11729	7.9
219.11795	5.7
221.13295	9.9
233.13188	10.6
234.13972	3.9
245.21713	6.2
248.15570	14.9
263.13873	3.8
263.18015	48.9
263.20187	13.5
263.23297	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2005
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
50.35821	1.9
53.03932	3.9
55.05504	17.1
55.05737	2.2
55.05827	1.8
56.05865	3.5
57.03428	2.5
57.07061	8.4
57.70387	2.3
60.04512	5.3
67.05505	89.1
67.22800	2.2
68.05826	7.3
69.07069	22.2
70.07393	4.0
70.77876	8.2
71.04982	3.8
71.08592	2.8
75.69353	2.3
79.05054	3.1
79.05494	38.2
80.05833	11.5
81.07055	92.7
82.07376	14.8
83.07715	2.2
83.08604	9.5
84.93656	2.1
85.06543	2.5
91.05477	38.3
92.05812	6.4
93.07039	52.8
94.07367	17.3
95.04948	2.7
95.07694	5.6
95.08605	100.0
95.69756	2.6
96.08919	11.8
96.32081	2.3
97.09301	2.3
97.10137	5.8
98.84675	2.3
99.08092	4.0
103.74812	2.5
104.99271	3.6
105.07030	71.5
106.07362	6.4
107.08587	45.3
108.08920	13.5
108.66769	2.1
109.06517	2.9
109.09379	4.8
109.10152	60.9
110.10482	5.5
111.08048	3.7
117.07011	2.8
118.07357	3.2
119.08577	86.1
120.08887	9.5
121.10149	42.0
122.10455	9.6
122.81030	2.3
123.08044	2.5
123.10854	3.6
123.11719	22.2
131.08546	7.0
132.08919	3.7
133.09140	2.5
133.10124	38.9
134.10481	4.4
135.11682	12.9
136.12021	8.2
137.12335	4.3
137.13271	4.4
145.10083	5.3
147.11697	93.9
148.12013	14.9
149.13226	11.6
150.13591	7.3
156.09375	2.4
159.11696	3.1
161.13339	17.9
162.13683	2.5
163.14882	6.8
164.15138	4.2
165.15511	2.8
173.13304	3.0
174.13594	3.3
175.14838	6.9
177.16394	3.3
186.96791	4.4
189.16423	2.7
203.17972	71.0
204.18283	16.9
204.97914	6.2
221.18918	2.9
245.11853	3.2
245.22447	16.4
263.23145	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1643
Annotation	[1R-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,8a-Hexahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Peak:m/z	Relative Intensity
53.03932	2.9
55.01848	7.3
55.05516	8.8
55.05721	1.9
57.03426	2.9
57.07039	5.6
61.02900	1.7
62.55360	1.8
65.03913	3.2
67.05511	17.6
69.03423	10.2
69.07063	13.5
70.06551	6.5
70.06896	1.8
71.04943	5.5
71.08601	2.7
71.59092	2.1
75.51644	1.6
79.05500	17.1
81.03419	10.4
81.07067	27.9
83.04939	8.4
83.08588	5.2
85.02914	11.8
85.06487	3.9
87.43998	1.8
88.07584	5.7
91.04974	1.7
91.05484	20.4
93.07059	24.7
95.04961	10.2
95.08611	16.7
97.02834	7.8
97.06466	5.2
99.04421	3.1
103.05449	2.5
105.07044	40.8
107.04929	5.7
107.08596	22.7
109.06463	7.9
109.10165	12.6
111.04371	7.5
111.08041	3.3
114.49055	1.8
115.03916	2.0
115.05350	2.7
117.07007	12.6
119.01899	3.4
119.08586	33.8
121.06438	7.7
121.10149	15.0
123.04371	4.8
123.08011	5.3
123.11729	9.1
125.09607	2.3
128.06140	5.8
129.06995	14.2
130.07777	1.8
131.04904	3.1
131.08572	25.9
132.10130	6.8
133.06390	6.2
133.10094	19.5
135.07948	7.8
135.11702	9.7
137.05905	6.4
137.09496	2.8
137.13184	2.4
141.06912	3.4
142.07690	5.2
143.01921	2.5
143.08557	21.2
144.09297	5.0
145.06392	5.5
145.10123	18.4
147.04308	2.0
147.08075	10.1
147.11713	17.0
149.05846	2.3
149.09514	5.9
149.13194	6.3
150.11211	3.7
151.11250	3.3
153.06976	2.0
153.12611	6.3
155.08485	4.6
156.09254	4.5
157.10129	15.9
159.07994	5.9
159.11716	27.1
161.02925	10.8
161.09576	13.9
161.13235	10.6
163.07451	2.7
163.11110	4.1
165.09070	3.2
165.12634	2.4
167.08421	2.1
169.10014	5.0
171.07991	2.5
171.11725	11.8
173.09543	4.3
173.13217	12.7
175.07561	2.8
175.11070	6.4
175.14722	6.7
177.09096	3.3
177.12724	4.5
179.08376	2.1
181.09979	3.0
183.11577	4.4
185.09555	3.2
185.13283	10.2
187.11107	4.6
189.09021	5.5
189.12770	17.7
192.09232	2.1
194.10799	2.4
195.10019	2.2
199.11102	5.3
199.14711	6.5
201.12564	8.3
203.03876	3.6
203.10526	3.4
203.14305	10.2
205.09973	1.8
205.12126	2.5
205.15736	4.2
207.09889	2.5
207.11746	3.4
215.14224	6.0
217.12178	3.7
217.15746	8.1
219.11742	3.4
219.13673	5.6
221.13168	5.8
223.32146	2.3
227.14255	9.5
230.49716	1.8
233.13080	5.8
233.15280	8.1
234.13873	3.2
245.13165	1.9
245.15414	33.9
245.17819	3.6
245.18904	2.3
248.15527	4.4
263.12741	5.1
263.16238	100.0
263.24088	59.4
264.16608	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.164
Annotation	3-Methoxy-14-calamenoic acid
Peak:m/z	Relative Intensity
53.03930	3.2
54.94071	1.3
55.01850	2.9
55.05505	9.6
57.07076	2.0
58.56040	1.2
59.04985	2.1
67.05503	18.3
69.03436	9.9
69.07063	6.6
69.40305	2.6
69.40705	12.6
71.04964	4.1
79.05502	15.1
79.39827	1.2
80.11972	1.3
81.06580	1.8
81.07049	28.1
83.04980	26.1
83.08584	3.7
85.02934	1.9
85.06064	1.6
85.06539	14.9
91.05477	21.0
93.07035	23.5
95.04950	4.4
95.08602	12.5
97.02895	2.1
97.06516	4.4
98.21530	2.2
98.97576	1.5
99.04465	8.3
101.05978	2.0
105.07031	49.3
107.04958	8.3
107.08589	31.6
109.06519	23.1
109.10151	36.3
109.10912	1.5
111.08064	4.1
115.05438	1.5
116.06204	1.3
117.06998	5.1
119.04965	1.9
119.08574	50.5
121.06505	8.6
121.10138	15.8
122.07276	10.2
123.04437	2.2
123.08041	5.7
123.11668	1.6
125.09591	1.8
127.07564	9.6
128.06168	2.6
129.05440	1.4
129.06982	2.7
131.04918	2.3
131.08546	8.1
133.06497	5.6
133.10129	100.0
135.04416	5.4
135.08051	10.7
135.11678	4.6
137.09610	94.5
138.09937	1.5
142.07788	2.2
143.08536	9.2
145.06435	2.0
145.10115	5.5
146.07222	3.5
147.08041	20.9
147.11667	5.6
149.09602	13.6
149.13255	1.5
151.07527	3.0
153.09119	2.6
156.09367	2.2
157.10126	6.1
159.08057	2.1
159.11710	8.4
161.05952	1.9
161.09621	42.5
161.13297	7.2
163.11200	3.5
165.09126	3.2
170.10907	4.5
171.07994	2.6
171.11681	4.8
173.13223	3.1
175.07585	3.0
175.11223	3.0
175.14862	11.3
179.10666	3.7
185.09596	2.4
185.13260	6.2
187.11116	4.9
189.09097	15.2
189.12666	2.4
190.09537	1.3
193.08618	1.9
199.11169	1.7
199.14845	7.0
201.12697	3.3
203.14337	27.6
207.10136	5.5
217.15875	14.9
227.14304	12.2
237.43301	1.2
245.15353	17.2
263.16412	74.8
263.19910	4.5
263.24036	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	263.139
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
51.02131	0.3
55.05508	0.6
56.96555	0.5
57.07057	0.5
64.28552	0.3
67.05511	0.8
68.04993	0.5
70.06591	30.2
71.05010	0.7
71.58451	0.5
79.05475	0.5
81.03432	0.6
81.07044	1.2
83.04967	0.6
85.02892	1.1
85.06554	0.5
86.09691	0.6
91.05472	1.9
92.11838	0.3
93.07050	2.5
95.04970	0.7
95.08593	0.7
97.06509	0.9
98.05991	0.5
98.97588	0.6
102.09174	0.9
102.54753	0.4
103.05459	5.6
105.07047	0.6
107.04954	0.7
107.08591	0.9
107.93572	0.4
109.02892	0.6
112.13445	0.4
114.05547	0.8
116.07092	77.3
116.98641	0.4
117.07027	0.6
120.08105	100.0
121.06560	0.6
121.08466	0.6
123.07980	0.4
131.04938	0.7
131.08569	0.8
136.07600	0.6
143.08566	0.7
147.04382	1.1
147.11722	0.5
161.03027	0.4
203.07164	0.5
209.11705	0.4
217.13422	0.5
223.27580	0.4
241.05405	0.4
245.12868	0.8
245.83768	0.4
246.11298	1.0
262.53946	0.4
263.13928	18.9
263.23514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Trixol
Peak:m/z	Relative Intensity
52.92619	1.0
53.03936	1.4
55.01865	1.9
55.05495	2.6
65.03939	1.7
67.05492	4.6
69.03436	7.3
69.07083	1.0
70.06871	5.3
79.05505	5.9
81.07056	7.9
83.04976	2.4
85.02893	3.6
87.04462	2.0
87.93150	1.0
88.35128	1.0
91.05471	8.2
93.07044	5.2
95.04960	5.5
95.08602	3.1
97.02888	3.7
97.06527	13.4
98.06889	1.1
98.20821	1.6
101.99489	1.2
105.07034	10.2
107.04960	2.5
107.08607	13.1
109.02872	4.9
109.06516	5.0
109.10158	1.5
111.04459	6.6
111.08061	1.8
113.02367	5.9
115.05434	3.0
116.08084	1.0
117.07011	3.4
119.04940	1.3
119.08591	10.4
121.06510	5.5
121.10101	1.5
123.04458	8.4
123.08065	3.5
128.06198	3.6
128.07077	1.3
129.06976	3.9
130.07777	1.7
131.04968	1.1
131.08563	6.2
133.06482	2.0
133.10129	3.7
135.08057	100.0
137.05981	3.7
139.03897	1.5
139.07559	1.5
141.06950	1.5
142.07771	6.2
143.08575	7.0
144.09311	3.5
145.06500	2.9
145.10136	4.5
146.07259	1.2
147.08054	7.2
147.11754	1.3
149.05988	2.3
149.09631	2.1
151.07561	1.5
155.08540	2.0
156.09352	9.3
157.06494	2.5
157.10138	7.7
158.07262	3.0
159.08057	7.4
159.11693	9.3
160.08765	1.3
161.05988	2.2
161.09648	5.6
163.07565	4.4
165.09108	1.8
166.07771	2.0
167.06976	1.3
169.06540	1.7
169.10159	1.7
170.10741	1.2
171.08072	2.9
171.11685	7.7
172.05179	2.5
172.08871	5.8
173.05965	1.3
173.09616	10.3
173.13239	2.2
175.07588	4.4
175.11220	3.9
181.10133	3.4
184.08841	4.8
185.05943	1.4
185.09625	4.6
187.07561	2.1
187.11201	29.5
188.08321	2.6
189.09081	4.0
189.12740	3.6
197.09595	2.2
199.07376	1.5
199.11174	21.3
199.12889	2.1
200.04599	1.4
202.09793	2.3
203.10666	32.4
212.08307	3.8
215.10680	21.9
217.08749	1.3
217.12247	19.4
227.10657	19.1
233.08160	5.1
233.11722	23.5
245.11737	62.1
263.06805	1.3
263.09650	2.2
263.12769	22.6
263.16360	3.1
265.15558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18312	0.5
69.03419	0.7
69.70007	3.7
76.18102	0.6
82.99854	1.4
85.02907	1.3
87.04462	0.7
97.02879	0.8
98.20704	0.5
98.97578	1.3
101.00879	11.1
105.00384	0.7
113.00851	2.6
116.98595	0.6
118.08656	10.8
119.01920	34.4
126.16644	0.7
127.03905	0.7
131.00928	0.6
131.01912	18.3
137.02966	5.1
143.01901	27.3
145.03490	1.1
146.09253	2.8
149.02937	4.5
155.01878	7.9
157.03542	2.3
161.02953	100.0
162.03065	0.9
167.01886	0.8
173.02959	27.7
175.04482	1.6
177.00714	1.1
179.03993	3.5
180.09721	0.6
184.04572	4.0
185.02916	3.8
187.04486	0.8
191.03999	20.2
197.02907	1.0
203.04002	18.9
204.04051	0.8
204.26942	0.7
214.05630	1.4
215.04057	0.7
221.05101	4.0
233.05061	1.6
239.06117	1.5
245.05113	1.5
263.01627	1.3
263.06122	32.3
281.07294	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	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96537	0.5
57.03414	0.4
65.03601	0.4
69.03426	0.8
70.06547	0.5
70.89410	1.0
73.02877	0.7
79.68221	0.5
82.99882	1.3
85.02887	0.9
86.06078	0.7
86.09698	0.7
86.99323	0.5
87.04463	0.8
97.02872	1.1
101.00879	9.8
105.00355	0.7
113.00870	2.8
115.08662	0.6
118.08657	27.2
119.01926	33.7
120.02070	0.5
131.01907	19.6
133.03461	1.1
137.02951	5.7
142.03442	0.8
143.01897	27.4
145.03458	1.8
146.09250	7.8
146.15384	0.7
149.02950	4.9
154.03630	0.6
155.01886	11.1
157.03511	2.4
161.02960	100.0
162.03081	1.1
167.01901	0.7
173.02965	32.8
175.04526	1.4
179.03973	3.0
184.04562	3.5
185.02904	4.2
187.04607	0.6
191.04019	22.4
196.04596	0.6
197.02956	1.4
203.04012	16.2
209.05139	0.5
214.05655	1.1
215.04012	0.8
221.05115	4.1
233.05011	2.1
239.06142	1.9
244.06606	0.5
244.85678	0.4
245.05087	1.0
263.01553	1.3
263.06137	31.5
281.07162	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71448	9.8
52.88177	8.9
56.01154	8.9
69.37129	100.0
69.37466	16.3
87.26110	8.8
119.63657	10.8
125.73887	9.3
126.96659	10.0
169.49327	11.8
223.87767	8.6
263.01541	44.3
279.94775	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	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04980	0.6
55.01869	0.9
55.05512	0.8
56.96566	6.2
57.03435	1.3
60.08147	1.4
69.03416	1.8
70.06572	2.2
71.57294	1.3
73.02909	1.3
74.06056	0.8
77.00893	1.0
81.03403	1.1
81.07053	0.8
82.99850	1.5
84.04490	2.1
84.08125	2.6
85.02892	3.2
86.09702	1.9
91.05460	0.8
93.07038	1.1
95.08566	0.9
97.02878	2.7
98.06062	0.8
98.97585	5.7
101.00887	10.5
101.03799	0.6
109.02858	0.8
110.07144	0.6
111.04420	0.7
113.00860	2.4
115.08679	0.7
116.07136	0.7
116.98629	4.1
119.01923	42.2
127.03893	1.6
128.98593	0.9
131.01904	23.2
133.03476	1.9
134.99677	3.4
137.02977	9.6
140.02286	0.7
143.01897	25.0
143.03033	1.3
145.03438	2.4
146.99632	1.3
149.02940	4.8
152.05862	0.7
153.00693	0.7
155.01915	9.6
157.03461	3.3
158.99677	1.3
159.54372	0.9
161.02959	100.0
162.03056	0.8
167.01967	1.6
172.95227	1.6
173.02969	32.5
173.11435	0.6
174.55580	0.7
175.04503	1.3
176.06050	0.9
177.00681	2.2
179.03993	3.9
184.04674	6.1
185.02939	7.8
185.05611	0.8
189.00980	0.8
189.06081	0.9
191.02303	0.9
191.03999	24.1
196.04454	1.0
197.02953	1.8
203.02328	0.9
203.04008	17.4
214.05623	1.4
215.03987	1.5
219.01768	0.9
221.03319	0.9
221.05122	5.2
231.79691	0.7
233.04956	3.3
239.06218	1.5
245.05112	3.0
245.12326	0.8
263.06143	35.4
263.08392	1.3
281.07159	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	262.2168
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.56202	1.6
55.92942	1.4
65.81475	1.5
68.31148	1.6
69.10112	1.7
70.06594	3.3
71.59390	1.7
81.07079	2.4
93.07045	2.2
95.08595	3.0
105.07035	5.3
107.08598	2.8
108.08110	1.9
112.07583	1.9
119.08582	4.6
121.10143	3.9
122.09671	2.3
132.04005	1.8
133.10123	2.7
147.11652	5.6
161.13235	2.4
203.17999	13.1
203.60768	1.8
262.14392	2.5
262.21667	100.0
263.21713	2.7
273.35825	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2377
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
55.05491	0.7
56.04788	0.6
56.05036	7.6
57.06816	0.5
57.07075	5.3
58.06599	4.7
60.04509	1.3
66.55666	0.4
68.05037	0.6
69.07072	0.4
70.18890	0.9
70.19286	0.8
71.08622	1.7
71.59514	0.4
74.06080	8.6
79.05486	0.6
81.07042	1.0
85.10183	1.2
86.06057	1.2
88.07632	25.1
91.05434	0.7
93.07043	0.8
95.08614	0.7
100.16685	0.4
104.07113	0.9
105.07034	0.9
107.08566	0.8
109.10157	0.7
112.61572	0.3
118.08627	4.6
119.08566	0.7
121.10173	0.9
122.08154	5.6
122.45886	0.3
131.08565	0.9
133.10135	0.7
137.29024	0.4
137.49840	0.4
145.10060	0.9
146.10513	0.4
147.11682	2.0
161.49071	0.4
187.14763	0.5
200.20088	1.0
203.17934	1.8
214.21652	40.1
216.18285	2.1
220.16946	3.6
244.20708	0.7
244.22824	1.4
262.21680	8.5
262.23837	100.0
263.24164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2167
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
52.76548	0.3
55.05506	0.9
56.96563	0.5
57.07068	0.6
58.06604	9.0
67.05492	0.7
69.07069	3.3
70.88300	1.0
74.26965	0.3
79.05492	1.0
81.07047	1.4
83.08613	1.0
84.04503	1.3
91.05491	1.1
93.07027	1.8
94.06562	0.7
94.76193	0.3
95.08034	0.5
95.08610	4.4
105.07038	3.2
107.08588	2.0
108.08114	0.8
109.10135	1.1
112.07590	0.8
117.07060	0.8
117.94068	0.4
119.08583	2.6
121.06546	0.7
121.10144	1.3
122.09678	0.4
131.08568	6.4
133.10144	0.5
135.11691	0.3
136.11221	7.9
143.08614	0.8
145.10117	3.5
147.11688	1.5
149.09639	0.9
150.12622	0.3
157.01622	0.3
157.10124	0.7
159.11629	0.6
160.95096	0.3
161.13301	0.4
163.14839	1.6
165.12735	0.4
168.13835	0.7
171.11670	0.5
174.12798	0.5
175.02783	0.8
176.14316	0.5
177.16472	0.5
185.13300	0.6
187.14864	1.8
193.03868	0.4
201.16493	0.4
203.17961	0.9
205.15927	2.0
206.15408	1.8
226.83939	0.4
227.17981	0.5
244.20670	1.8
262.21680	100.0
263.22021	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	262.1186
Annotation	Glycyltryptophan
Peak:m/z	Relative Intensity
54.68800	1.7
56.96556	3.9
59.17443	1.8
67.05485	2.0
69.03437	1.7
70.06590	2.4
71.57713	2.6
74.02417	2.1
79.05455	1.6
81.07056	2.3
82.77398	1.6
84.08136	3.7
85.02888	3.7
86.09698	6.1
87.10027	2.0
88.03975	2.3
95.05000	2.2
95.08586	2.4
102.02167	2.1
104.13680	1.9
108.11248	1.9
115.05451	2.0
116.07124	2.1
117.05745	3.6
118.08649	6.8
120.08129	4.0
127.45436	1.8
129.07002	2.4
130.06516	51.7
131.07312	5.2
132.06807	2.0
132.08064	2.7
133.07603	7.7
134.06015	3.9
142.06514	2.5
143.07333	5.3
144.08096	12.6
145.07600	4.8
146.06006	20.9
146.52440	1.7
148.07555	4.3
149.07094	2.6
150.24617	2.4
154.06519	6.5
155.06046	2.1
156.06866	3.1
156.08081	11.1
157.07603	79.7
158.05998	14.2
158.08395	9.5
159.09184	9.4
160.07617	3.2
161.07089	5.2
162.05431	2.8
163.03889	5.5
169.05261	3.5
171.09195	22.3
172.07582	8.5
173.07144	11.6
175.08656	10.6
181.07608	11.0
182.05980	5.1
183.09209	6.7
185.07097	35.5
187.08661	2.6
188.09364	1.9
189.10252	9.1
198.10236	12.2
199.08672	16.3
200.07051	5.3
201.10257	5.7
203.08144	100.0
204.06696	3.5
209.07135	7.0
216.11349	22.6
217.09721	5.9
219.07645	2.1
227.08150	38.5
231.04044	3.9
244.10904	6.3
244.15611	2.6
245.09238	40.4
245.11737	2.1
246.07602	3.1
262.11880	56.1
262.14478	6.0
262.21857	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03937	2.1
55.05517	19.3
56.96566	4.0
57.07075	2.8
58.45689	1.8
61.77677	1.7
67.05511	10.8
69.07067	14.1
70.26129	7.2
71.04996	13.1
79.05489	8.7
81.07056	18.8
83.04983	5.2
83.08639	11.0
85.06553	1.9
91.05482	12.1
93.07047	27.4
95.08605	49.3
97.06555	2.9
97.10165	9.7
99.08095	27.2
100.23496	2.1
105.07030	29.1
107.08601	49.1
109.06564	2.1
109.10166	28.8
113.09634	4.7
117.07008	3.2
119.07800	2.7
119.08595	39.1
121.06480	2.4
121.10153	45.0
123.11736	11.5
131.08549	17.0
133.10135	47.4
135.11700	23.7
137.13264	2.6
139.11235	2.7
143.08542	2.5
145.10123	27.6
147.04408	2.2
147.11691	33.1
149.09608	2.2
149.13225	14.3
151.11230	3.0
159.11699	24.8
161.13257	23.1
163.14764	13.4
165.12721	10.0
173.13260	36.8
175.02917	1.8
175.14847	6.1
187.14819	38.7
189.16365	2.7
191.14328	6.9
191.17978	13.4
201.16393	16.4
203.17960	73.9
205.15881	2.3
214.93423	2.3
215.17989	7.6
217.19518	2.3
243.14023	2.3
243.21098	100.0
261.15027	2.9
261.18768	3.8
261.22162	62.8
261.24850	4.1
262.14423	3.2
262.21768	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	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.6
54.60625	0.7
55.05259	0.8
55.05511	11.3
56.96553	2.8
57.00028	0.7
57.07079	4.0
65.03928	1.3
67.05502	30.5
69.03427	1.5
69.07072	12.4
71.04978	2.2
71.08617	1.0
71.59857	1.1
77.03931	0.9
79.05491	38.1
81.07053	36.4
82.11809	0.8
83.04974	2.0
83.08610	5.0
85.06541	3.3
91.05478	22.3
93.07043	54.4
95.04987	4.1
95.08606	29.9
97.06519	3.2
97.10155	2.1
97.99166	0.8
99.08080	3.3
103.05486	0.8
105.07027	21.8
107.04955	0.9
107.08590	41.6
109.06496	2.5
109.09464	1.0
109.10160	13.3
111.08075	2.3
112.35670	0.6
113.09648	0.8
117.06996	7.5
119.08576	16.3
119.43714	0.6
121.06467	1.1
121.10139	33.9
123.04432	0.8
123.08028	1.3
123.11727	4.7
125.09639	1.6
131.08559	16.9
133.10127	15.0
135.08047	1.6
135.11687	26.5
137.09610	1.4
137.13254	1.8
143.08600	1.3
145.09039	1.4
145.10129	20.9
145.11279	1.1
147.11688	14.4
149.05989	0.9
149.09615	0.9
149.13249	23.3
151.11137	1.5
153.12698	0.9
157.10104	2.1
159.08087	0.8
159.10439	1.4
159.11685	21.3
161.09665	1.0
161.13248	16.8
163.11153	1.5
163.14824	14.4
165.12784	1.5
169.10062	0.9
171.11652	1.0
173.09601	1.1
173.13257	11.1
175.02762	1.1
175.14819	3.7
177.12747	0.9
177.16431	3.8
179.10712	1.2
179.14307	1.3
183.11606	1.1
187.11200	1.1
187.14838	6.8
189.16451	1.0
191.10591	1.3
199.14835	1.4
201.08914	1.0
201.12787	1.5
201.16422	4.5
203.17908	1.3
205.12259	2.8
215.14566	1.1
215.17943	25.9
219.17474	0.9
225.16394	1.3
233.04369	0.8
233.19012	0.8
233.22569	0.8
243.13791	1.6
243.17485	7.1
243.21075	27.6
261.03867	1.6
261.12787	1.9
261.18533	43.2
261.22131	100.0
262.21851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01871	1.0
55.05513	8.4
56.09832	0.4
57.03428	1.6
57.07087	2.4
65.03928	1.2
67.05505	28.5
69.03429	0.7
69.07069	9.9
70.19398	2.0
71.04976	1.5
71.08614	0.8
77.03918	0.9
79.05494	36.6
81.07059	30.4
83.04977	1.2
83.08613	6.1
85.06537	2.5
91.05481	19.8
93.07046	53.7
94.07378	0.6
95.04966	4.4
95.08609	24.7
97.06519	2.1
97.10159	1.9
99.08062	2.4
105.07035	14.8
107.08597	37.0
109.06495	2.4
109.10162	13.6
111.04430	0.5
111.08080	2.5
113.09653	0.7
117.07018	5.5
119.08581	13.2
121.06546	0.6
121.10147	34.0
123.08085	1.2
123.11716	4.2
129.07014	1.5
131.08580	11.3
133.10133	11.0
135.08052	1.4
135.11694	25.9
137.09612	0.9
137.13277	1.6
139.11238	0.9
141.07031	0.6
142.07706	0.5
143.08565	1.9
145.06541	0.5
145.10115	12.6
147.08112	0.7
147.11694	8.3
149.09656	1.0
149.13257	19.5
151.11166	0.9
151.14807	0.7
153.12700	0.9
155.08531	0.9
157.10115	2.0
159.08054	0.7
159.11723	10.2
161.09642	0.7
161.13266	10.2
163.11186	1.0
163.14822	14.4
165.12726	1.4
171.11676	1.0
173.09645	1.1
173.13290	8.4
175.14803	2.8
177.09201	0.5
177.12723	0.6
177.16370	3.3
179.14339	1.3
183.11705	1.0
187.11182	1.4
187.14810	6.3
189.16434	0.6
191.14368	0.5
195.08075	0.6
197.13300	0.6
201.09200	0.6
201.12697	2.1
201.16423	3.6
203.17973	1.5
205.12271	1.4
215.14336	1.5
215.17924	1.9
217.19443	0.7
219.13901	0.5
225.12679	0.8
233.22725	1.5
243.13899	3.6
243.17320	1.2
243.21078	22.8
261.14853	7.7
261.22147	100.0
262.22293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02381	0.5
53.03936	1.8
55.05264	0.5
55.05510	8.6
57.03433	1.4
57.07088	2.6
59.61900	0.4
60.04505	0.9
65.03927	1.2
67.05505	30.3
69.07068	9.2
69.97747	2.6
71.04978	1.9
71.08639	0.9
76.00774	0.5
76.06716	0.4
79.05493	41.3
81.07058	37.2
83.04952	1.0
83.08620	5.6
85.06519	2.2
91.04900	0.6
91.05482	18.0
93.07047	55.1
94.07359	0.6
95.04959	3.1
95.08607	29.9
97.06516	2.2
97.10153	2.2
99.08105	3.2
105.04507	0.7
105.06295	0.8
105.07026	15.3
107.08596	41.0
109.06504	1.6
109.10158	12.0
109.10736	0.3
111.08083	2.0
112.41537	0.4
117.07033	4.4
119.07796	1.0
119.08586	11.7
121.10142	34.3
122.10515	0.7
123.08005	0.9
123.11708	3.1
125.09608	0.9
127.11167	0.6
129.07027	0.7
131.08568	11.8
133.10143	10.7
135.11693	27.6
137.09619	1.2
137.13243	1.3
139.11182	0.9
145.10135	13.4
145.11255	1.1
147.11687	10.5
148.91240	0.5
149.09689	0.8
149.13260	23.0
151.11183	0.8
151.14783	0.8
153.12813	0.9
158.15500	0.5
159.11688	8.7
161.13261	9.8
163.14816	17.6
165.12720	1.4
173.13264	9.0
175.14783	3.8
177.16379	4.4
179.14310	1.9
183.38528	0.5
187.14748	4.8
191.14326	0.9
191.18001	0.7
198.27965	0.5
201.16382	2.6
203.17986	2.1
205.15865	1.1
207.90926	0.6
215.17970	1.3
219.17520	0.6
233.22672	1.1
243.21092	27.1
244.21463	0.7
261.22150	100.0
262.22440	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.03110	3.3
55.05508	10.2
56.96551	5.0
57.32001	3.6
64.28794	3.8
67.05492	11.1
69.07059	13.8
71.04977	15.3
71.58364	6.5
79.05486	13.0
81.07079	19.0
83.08614	11.6
91.05470	10.6
93.07035	23.3
95.08595	48.7
95.32954	3.6
95.60994	5.1
99.08092	22.2
105.07015	37.1
107.08602	50.1
109.10142	25.1
117.07009	9.9
119.08576	46.6
121.10150	44.0
123.11704	10.1
131.08563	14.1
133.10133	51.0
135.11629	19.1
143.08536	5.0
145.10086	24.4
147.11694	39.4
149.13185	7.3
157.10152	6.4
159.11699	40.4
161.13249	40.7
163.14842	7.6
165.12773	10.1
173.13264	39.6
175.14783	5.0
187.14777	30.7
191.17969	16.7
201.16388	18.7
203.17960	75.6
215.17940	35.1
243.17397	13.6
243.21086	100.0
255.37968	3.8
261.18524	47.7
261.22150	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	1.6
55.01871	0.7
55.05507	8.6
56.96559	2.5
57.03427	1.2
57.07062	2.5
65.03934	0.8
67.05504	26.8
69.06719	0.7
69.07063	8.1
69.69242	4.4
71.04974	1.4
71.08637	1.2
71.40775	0.5
79.05492	35.0
81.07053	33.2
83.08614	5.2
85.06538	2.5
85.88715	0.6
91.05476	16.3
93.07040	51.4
95.04961	2.9
95.08604	25.9
97.06509	1.9
97.10150	2.5
98.21404	0.8
99.08089	3.4
105.06380	0.9
105.07029	11.7
107.08593	34.7
109.06522	1.4
109.10154	11.8
111.08065	2.2
113.09621	0.9
116.00208	0.8
117.07034	4.2
119.08581	11.2
119.09333	0.4
121.10141	31.4
123.08065	1.4
123.11686	4.2
131.08554	10.1
133.10120	10.0
135.11688	27.3
137.09583	0.9
137.13254	1.2
145.09013	1.1
145.10120	11.9
147.11681	8.9
149.09633	0.7
149.13248	18.7
151.11130	0.9
153.12761	0.9
159.11690	7.9
161.13261	10.1
163.14818	16.1
165.12689	0.7
173.13263	8.4
175.14822	4.2
177.12665	0.6
177.16382	5.9
179.14359	1.0
187.14832	7.4
189.16365	0.9
201.16394	2.7
203.17937	1.4
203.40016	0.7
215.17966	1.6
219.17400	1.1
233.22578	1.7
243.21074	26.6
261.22134	100.0
262.22598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01872	0.8
55.05264	0.7
55.05508	10.1
57.03427	1.0
57.07070	3.7
59.12861	0.4
63.75270	0.5
65.03932	1.3
67.05503	28.4
69.07063	7.7
70.45808	0.8
70.46137	0.8
71.04977	1.4
71.08621	1.3
77.03902	1.1
79.05490	39.5
81.03408	0.8
81.07052	32.1
83.04961	0.8
83.08607	4.1
85.06528	2.3
85.10132	0.6
91.05476	19.4
93.07039	54.0
95.04961	4.7
95.08602	24.6
97.06532	2.8
97.10167	2.2
99.08091	2.2
102.54869	0.5
105.07026	14.1
107.08588	35.0
109.06509	1.7
109.09464	0.7
109.10154	10.4
111.08078	2.4
112.97794	0.5
113.09634	0.9
117.07014	4.9
119.06062	0.7
119.08568	11.1
121.10140	29.3
123.08048	1.4
123.11698	3.6
125.09634	0.7
130.07765	0.5
131.08563	10.8
133.10130	8.9
135.11685	22.4
137.09604	0.6
137.13234	1.4
139.11163	1.1
145.09050	0.7
145.10126	10.8
147.11679	6.8
149.13251	17.4
151.11159	1.1
151.14777	0.6
153.12766	0.7
159.11699	9.0
161.13254	7.3
163.11148	0.7
163.14815	14.2
165.12743	1.1
173.13266	8.1
175.14790	3.1
177.12688	0.8
177.16386	3.9
179.14319	1.4
187.14819	5.5
189.16325	1.0
201.16394	3.0
203.17921	1.0
205.15839	0.7
215.17903	1.3
219.17427	0.8
233.22556	1.3
243.21085	24.9
261.03879	0.9
261.22131	100.0
262.14349	0.6
262.22443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.39904	1.3
53.03944	1.9
55.05511	11.7
57.03435	1.4
57.07063	3.5
65.03923	1.8
66.11999	1.4
67.05507	35.6
69.07067	11.3
71.04971	2.8
71.60633	1.4
72.64333	1.3
79.05496	43.2
81.06580	2.6
81.07057	44.2
83.04974	1.9
83.08606	6.0
85.06546	3.3
91.05486	22.6
93.07049	61.7
95.04962	4.8
95.08608	26.0
95.09222	1.7
96.51109	1.3
97.10204	2.3
98.98473	1.7
99.08090	3.5
105.07034	16.8
107.08591	36.2
109.02914	2.2
109.06530	3.1
109.10152	12.4
111.08095	2.4
117.07016	6.9
119.08579	15.0
121.10149	37.7
123.08067	2.0
123.11691	5.4
131.08569	12.8
133.10132	10.2
135.11694	28.9
137.09575	3.1
137.13193	1.6
145.10156	13.6
147.11720	11.1
149.13274	21.1
158.26642	1.3
159.11685	10.0
161.13260	9.5
163.14832	14.8
173.13255	12.0
175.14810	3.5
177.16364	4.0
186.87862	1.2
187.14856	8.1
201.16420	5.3
203.17924	3.2
215.17900	2.9
243.21089	30.6
261.22156	100.0
262.14404	2.8
262.21945	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03938	2.2
53.62595	0.5
55.01866	1.0
55.05262	0.7
55.05509	10.1
56.96560	1.2
57.03424	1.3
57.07071	4.8
62.38025	0.4
65.03942	1.2
67.05499	34.5
69.07063	10.2
71.04969	2.0
71.08629	3.0
71.59557	0.6
71.59908	0.6
79.05488	49.1
81.07053	39.0
81.57806	0.6
83.04957	1.6
83.08621	6.0
85.06541	3.7
85.10147	1.8
91.05471	24.5
93.07036	67.9
95.04965	5.9
95.08601	31.6
97.06536	2.9
97.10146	2.2
99.08078	3.2
103.05455	0.6
105.04488	0.7
105.07020	17.3
107.05013	0.5
107.08587	42.2
109.06496	2.4
109.10151	11.6
111.08066	2.2
113.09621	2.0
117.07008	6.9
119.07784	1.0
119.08569	11.5
121.06497	0.6
121.10133	31.6
123.08067	1.3
123.11707	2.8
125.09625	0.9
131.08557	15.0
132.69522	0.6
133.10126	9.6
135.08005	1.9
135.11682	25.3
137.09575	1.2
137.13199	2.0
139.11119	1.1
143.08412	0.5
145.09036	0.9
145.10120	14.9
145.11272	0.7
147.11684	8.5
149.09605	1.2
149.13249	20.4
151.14825	1.0
153.12704	1.1
157.10138	0.8
159.11685	9.7
161.13249	9.7
163.14813	14.2
165.12767	1.0
167.14375	0.5
171.11699	1.0
173.13269	10.3
175.14807	2.9
177.12862	1.0
177.16373	6.0
179.14326	1.0
185.13182	0.7
187.11220	0.7
187.14816	7.1
191.14337	0.7
201.16316	3.8
203.17932	0.8
215.17908	2.0
217.19557	1.0
219.17374	1.0
233.19026	0.8
233.22641	2.5
243.21072	29.1
261.22119	100.0
262.22214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.185
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
50.23579	0.4
55.05496	1.8
56.44457	0.4
57.03438	3.1
57.07068	0.7
59.05004	0.6
65.03916	0.6
67.05496	2.3
69.03433	23.1
69.07069	2.6
71.01350	0.7
71.04993	3.5
73.02903	2.2
75.04478	0.6
75.61121	0.5
79.05510	2.3
81.03424	5.7
81.07063	2.9
83.01326	0.6
83.04951	1.9
83.08592	0.7
85.02916	4.8
88.07624	1.7
91.05467	1.5
93.07041	3.3
95.04946	1.6
95.08622	3.7
97.02910	4.5
97.06519	0.8
98.20726	1.3
99.04460	5.7
99.08090	0.7
105.07029	4.3
107.08591	6.0
109.02882	0.7
109.10136	1.8
111.04453	2.4
113.06001	1.2
115.03921	1.7
117.05498	2.9
117.07014	2.2
119.08601	7.0
121.10134	3.5
123.04440	0.9
123.11707	0.8
129.05489	0.9
129.32457	0.5
131.08562	4.4
133.10109	2.8
135.11674	0.9
145.04974	1.0
145.10123	9.3
147.11667	1.9
149.13156	0.6
157.10088	0.7
159.08049	1.1
159.11696	7.8
161.13249	0.7
169.05025	0.6
171.01389	1.7
171.11671	0.8
172.12448	1.0
173.13271	7.2
179.10703	0.8
183.77335	0.5
186.13983	0.7
187.07649	0.6
187.14812	1.4
193.12218	1.4
197.13242	0.5
199.06090	1.1
200.15666	0.6
203.17937	1.1
213.07550	0.6
214.21635	1.2
215.17963	100.0
216.18280	2.2
225.07570	1.2
233.19061	1.2
243.08574	0.6
243.21068	1.4
261.07019	0.6
261.09692	11.6
261.18515	36.7
261.21878	1.5
261.26062	1.1
262.10349	0.6
262.19031	0.7
262.23785	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	261.1849
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
54.40478	0.9
55.05514	5.0
57.07073	1.1
67.05508	8.9
69.03409	1.9
69.07068	11.9
71.04996	2.8
71.58742	1.9
73.06527	1.7
74.02150	1.1
79.05503	7.8
81.07061	17.1
83.08609	3.3
85.06520	1.4
91.05476	10.8
93.07047	19.7
95.04963	2.4
95.08607	23.2
95.65516	0.9
96.08938	3.5
97.06503	1.5
97.51843	1.0
105.07031	32.8
105.13068	1.1
106.07361	1.0
107.08599	25.6
109.06496	1.5
109.10153	11.2
110.10498	1.7
113.05975	1.1
117.07011	6.4
119.08586	34.5
121.06521	1.4
121.10130	17.6
122.10470	1.1
123.11722	4.7
123.12474	1.0
129.07007	1.1
130.07822	1.8
131.08569	16.3
133.10135	19.2
135.11682	4.6
139.07523	1.6
143.08647	1.6
144.09343	2.3
145.10115	30.3
147.11691	18.8
149.13277	2.5
151.07495	1.4
155.08707	1.3
157.10143	5.9
158.10892	1.9
159.11700	55.3
161.13257	53.8
163.07526	1.6
165.12766	1.6
169.10150	4.0
171.11745	2.6
171.68239	1.2
173.09694	1.3
173.13266	21.9
175.14882	1.5
183.11665	2.0
187.11198	2.6
187.14803	3.6
191.10704	2.5
199.14723	6.6
201.12761	2.4
201.16383	25.0
201.18256	1.5
203.17966	2.2
205.12248	6.1
215.17958	95.6
219.23158	1.1
225.16364	7.0
228.85661	0.9
233.18973	1.0
243.17458	29.0
243.21129	3.2
261.18515	100.0
261.21866	4.4
261.24826	6.6
262.18988	1.8
262.21637	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	261.1851
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
50.01598	0.5
51.02376	0.4
53.03952	1.4
55.01873	0.7
55.05513	12.5
55.05783	0.8
56.96563	1.1
57.03418	1.2
57.07075	3.6
59.05003	0.4
61.96419	0.4
62.00251	0.3
65.03934	1.3
67.05504	37.8
69.03453	0.7
69.07066	22.1
69.89471	0.8
69.89887	1.5
71.05001	2.4
71.08630	1.1
73.06564	0.7
75.23176	0.4
77.03923	0.9
79.05493	47.0
81.03403	0.4
81.07056	43.2
83.04984	1.5
83.08622	6.8
83.16395	0.3
85.06541	2.9
85.10164	0.5
87.04488	0.6
91.05479	26.7
93.07043	67.1
95.04970	5.4
95.08605	36.5
96.08940	0.4
97.02876	0.6
97.06528	2.9
97.10164	3.5
99.08078	3.1
101.19703	0.4
103.05485	1.1
105.04531	0.9
105.07030	28.8
107.04955	0.6
107.08592	52.0
108.08923	0.5
109.06519	2.7
109.10155	18.7
111.08073	2.6
111.11717	0.7
113.06016	0.9
113.09635	1.4
115.05403	0.6
117.07014	9.6
118.79478	0.3
119.08582	27.0
121.06504	1.4
121.10140	44.3
122.10445	0.5
123.08054	1.9
123.11697	6.7
125.06004	0.8
125.09602	1.4
128.06186	0.6
129.06993	1.8
130.07779	1.4
131.04939	0.7
131.08569	22.5
133.06473	0.7
133.10133	20.9
135.08032	1.1
135.11694	30.1
137.05988	0.6
137.09657	1.9
137.13235	1.0
139.07521	0.7
139.11186	1.3
142.07806	0.7
143.08554	2.6
144.09364	1.6
145.06471	1.2
145.10121	35.8
147.08034	1.5
147.11685	17.5
149.05969	1.2
149.09592	1.1
149.13254	25.9
151.07541	0.8
151.11145	1.5
151.14827	0.9
153.09157	0.8
153.12701	0.5
155.08540	1.1
157.10136	3.6
158.10892	0.6
159.08080	1.3
159.11693	37.9
161.09651	0.7
161.13258	26.7
162.13699	0.4
163.07515	1.3
163.11205	2.8
163.14822	17.4
164.04416	0.4
165.09120	0.8
165.12761	2.1
167.10675	1.0
169.10081	1.8
171.11678	1.5
173.09625	1.4
173.13263	18.5
175.11201	0.6
175.14842	5.0
177.12718	1.2
177.16428	3.8
179.10641	1.4
179.14302	1.6
183.11691	1.3
185.13255	1.1
187.11226	2.7
187.14830	8.9
189.16383	1.3
190.69327	0.4
191.10660	4.3
191.14244	0.6
193.12210	0.9
197.13240	1.0
199.14844	2.6
201.12720	2.7
201.16389	7.5
203.17909	1.5
205.12251	5.7
205.15775	0.6
213.16374	0.6
215.17949	57.5
216.18292	1.1
217.19438	1.1
219.13803	1.0
219.17421	1.0
225.16382	3.2
233.18851	0.8
233.22609	1.5
243.13849	0.9
243.17415	15.3
243.21069	26.4
253.42154	0.5
261.18491	87.7
261.22101	100.0
262.18835	1.5
262.21997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1486
Annotation	Parahigginic acid
Peak:m/z	Relative Intensity
51.02374	0.8
53.03954	4.5
55.01863	3.7
55.05260	1.2
55.05511	15.2
56.22411	0.7
56.69758	0.7
56.96550	1.3
57.03439	1.4
57.07078	4.9
65.03945	3.8
67.05505	49.7
69.03431	8.9
69.07066	23.2
69.75393	0.9
69.99307	4.4
71.04980	2.5
77.03925	1.1
79.05495	55.9
80.54498	0.8
80.73915	0.8
81.03424	6.2
81.07059	52.9
83.04992	4.5
83.08619	7.9
85.06538	2.9
91.05482	45.7
93.03430	1.1
93.07047	82.7
94.07808	1.1
95.04976	16.7
95.08608	40.0
97.02879	6.8
97.06528	9.3
97.10172	3.1
99.08083	3.3
103.05480	2.2
105.04556	1.0
105.07032	43.4
107.04953	4.9
107.08597	51.4
108.05772	0.9
109.06525	13.2
109.10155	18.4
111.04462	6.9
111.08073	9.4
115.05451	3.4
116.06272	1.0
117.07014	24.2
119.04961	2.7
119.08585	41.2
121.06519	13.0
121.10146	39.6
122.07295	1.2
123.04460	1.4
123.08062	11.2
123.11710	5.4
125.09637	1.9
128.06213	2.6
129.07004	7.1
130.07773	2.4
131.04930	3.3
131.08571	35.8
133.06490	10.3
133.10130	16.3
135.04448	1.6
135.08070	14.0
135.11694	27.9
137.06009	1.5
137.09619	4.9
139.07553	1.4
141.06996	5.7
142.07806	4.5
143.08551	9.9
144.05675	1.4
144.09346	1.5
145.06477	11.0
145.10124	36.1
147.04419	7.8
147.08047	32.4
147.11679	13.6
149.05998	4.5
149.09647	3.9
149.13263	23.0
150.10350	2.0
151.07541	2.9
151.11197	4.7
151.14838	0.8
153.06969	1.7
154.07796	1.6
155.08554	12.2
156.09364	3.1
157.06511	1.4
157.10133	11.7
158.07260	1.5
158.10936	2.3
159.08067	18.4
159.11702	22.8
160.08832	1.1
161.05988	1.3
161.09641	3.4
161.13251	13.9
163.07558	7.9
163.11201	2.3
163.14830	15.6
165.05481	2.8
165.09137	2.7
165.12627	1.4
165.26450	0.8
167.08583	2.4
168.09363	2.3
169.10107	10.8
171.08022	1.3
171.11702	6.8
172.08879	0.8
172.12346	0.8
173.06010	3.4
173.09628	22.2
173.11002	1.5
173.13254	27.8
175.07541	4.1
175.11169	2.3
175.14807	5.1
177.09128	2.4
177.16382	4.3
179.14290	1.7
182.10953	5.6
183.08014	1.7
183.11697	8.4
185.09584	2.5
185.13287	1.0
186.10400	1.3
187.07465	4.7
187.11147	4.3
187.14825	13.2
189.16362	1.6
191.07065	5.6
191.10670	3.4
192.09315	1.1
192.72693	0.8
195.08101	1.7
197.08057	1.9
197.09636	2.7
197.13264	18.4
199.11241	4.3
199.14841	3.1
201.09155	3.5
201.12750	26.3
201.16438	5.9
203.10783	1.3
205.08522	1.7
205.12251	1.5
207.11597	1.6
210.10393	2.2
215.10922	4.0
215.14337	24.5
215.17850	12.8
217.19450	0.9
219.10150	0.8
219.13770	3.8
225.12750	11.5
233.15321	2.0
233.22551	0.9
243.13820	39.4
243.17499	3.7
243.21086	25.4
243.23642	1.2
261.14880	66.9
261.18542	22.4
261.22156	100.0
279.15799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
56.05031	8.0
56.96545	2.1
57.07067	1.8
60.08143	1.2
63.21414	0.7
67.05508	1.7
69.83054	4.8
69.83485	1.7
71.04991	1.2
71.26321	0.8
72.08160	2.5
81.03400	1.2
81.07069	1.1
84.04504	100.0
85.02891	3.0
86.09706	93.5
87.10078	1.0
98.20805	1.5
98.97566	2.6
102.04926	1.6
102.05543	16.4
107.04973	1.3
113.07129	1.6
116.98582	1.4
118.08670	2.0
129.06633	3.7
132.10208	51.5
141.06558	2.4
155.69246	0.9
159.73389	0.9
162.07640	1.6
169.08472	0.9
178.37689	0.9
197.12854	60.1
202.03711	1.2
219.01736	1.1
225.12326	7.5
237.02852	2.3
243.13416	77.4
256.04132	1.3
261.14554	2.6
261.22260	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1486
Annotation	Heterogorgiolide
Peak:m/z	Relative Intensity
52.37077	1.1
53.03941	1.2
55.01874	7.7
55.05497	2.9
57.03429	1.3
57.07074	6.0
65.03931	1.7
67.05501	3.7
69.03431	10.0
69.07057	2.4
71.58970	1.5
73.02884	1.1
79.05495	6.6
81.03403	5.2
81.07055	4.0
83.04978	2.1
83.08630	1.1
85.02895	4.1
87.36647	1.0
91.05462	8.9
93.07052	10.4
95.04966	5.0
95.08598	3.3
96.97009	1.1
97.02867	6.5
99.04453	2.0
100.32040	1.1
105.07037	11.1
107.04961	1.8
107.08597	17.4
109.02888	1.7
109.06509	2.5
109.10160	6.1
111.04473	3.7
115.05463	1.2
117.07014	4.9
119.08595	10.0
121.06494	3.3
121.10152	9.8
123.04416	3.0
123.08054	1.7
123.11704	3.6
127.03938	2.2
128.06221	1.2
129.06999	3.6
130.07809	1.3
131.08539	8.0
133.06453	1.9
133.10153	14.5
135.08089	2.0
135.11705	23.8
137.05913	1.8
137.09612	2.5
141.07002	1.9
142.07715	2.0
143.08562	4.0
144.05632	1.2
145.06447	3.2
145.10112	12.0
147.04395	1.3
147.08069	4.1
147.11682	5.6
149.05980	1.2
149.09625	9.5
151.11176	4.8
153.06958	1.5
155.08626	2.8
156.09355	6.4
157.06464	1.5
157.10127	4.1
158.07202	1.2
159.08069	5.0
159.11710	6.1
161.09619	4.2
161.13187	2.0
163.11183	14.9
164.11975	5.9
167.08556	1.9
169.10179	1.5
171.08128	2.4
171.11725	8.6
172.08826	3.8
173.09639	7.1
173.13271	3.9
175.07507	1.6
175.11191	4.6
177.09108	1.2
177.12672	1.7
179.10675	1.6
182.10928	1.9
183.11810	1.6
184.08755	1.9
185.09637	2.9
187.07576	3.1
187.11136	6.8
188.92438	2.9
189.09332	1.2
189.12761	4.6
191.14342	1.9
197.13268	2.3
199.11154	14.2
201.09215	1.6
201.12730	6.3
210.10332	1.7
213.12717	2.4
215.10715	2.7
215.14317	9.9
217.12250	20.2
218.07359	2.0
219.13783	3.4
225.12733	2.4
228.11559	1.5
231.13850	3.9
233.15340	6.8
243.13820	27.5
246.06825	1.9
261.03967	1.5
261.09024	4.8
261.14877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1445
Annotation	Glu Leu
Peak:m/z	Relative Intensity
55.61037	0.8
56.05030	6.3
56.96561	0.9
69.07057	2.7
70.94514	1.4
70.94854	1.3
83.06100	1.8
84.04501	100.0
84.08134	1.9
85.02880	1.3
85.04859	1.0
85.08485	1.3
86.09702	92.2
87.10037	2.4
95.04954	0.9
95.08595	1.1
98.98461	1.8
102.05539	14.4
116.40248	0.7
118.08627	2.4
127.03911	1.0
129.06595	6.7
132.10199	45.9
135.06815	1.4
141.06619	3.3
152.10698	1.1
191.45752	0.8
197.12846	56.2
198.13257	1.1
201.00816	1.2
215.98520	1.0
217.05338	0.9
219.01799	1.1
225.12347	6.6
243.13390	63.9
244.13701	1.9
261.14639	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01868	4.7
55.05514	80.0
56.96558	4.9
57.03426	8.0
59.63999	2.0
61.02917	2.1
67.05489	3.6
69.03437	11.3
70.64614	2.2
70.91579	4.2
71.04981	6.2
73.02909	10.3
79.05486	5.2
81.07066	13.4
83.04987	9.8
83.08624	42.8
84.04478	2.6
84.08144	3.8
85.02493	2.5
85.02910	25.7
86.09706	13.4
87.04436	3.3
91.05476	8.4
93.07035	3.7
95.01326	2.8
95.04982	3.6
95.08607	7.7
97.02895	9.0
97.06516	3.1
98.97569	3.2
99.04462	2.4
99.08069	3.5
105.07020	4.4
107.04969	4.0
107.08594	5.4
109.06525	2.5
111.04453	2.4
115.03933	8.8
115.05467	2.4
116.58186	1.8
116.98647	3.4
117.07041	2.5
118.08662	12.1
118.92358	2.0
119.04933	6.4
119.08595	3.5
120.96633	6.6
121.10146	6.1
127.03886	2.8
131.04881	2.8
131.08582	3.2
132.10243	2.8
133.04971	22.4
133.06494	6.8
133.10094	5.7
134.98589	2.2
134.99661	3.9
135.11682	2.2
141.01830	2.6
142.06523	5.7
145.06490	7.8
145.07536	4.7
145.10158	3.4
147.04401	9.6
147.11620	3.1
149.13316	2.6
155.53748	2.1
159.11736	4.5
169.06506	3.0
170.06033	24.8
173.06018	5.9
173.13217	5.1
177.00818	2.2
178.73837	2.4
179.05556	3.6
187.14874	3.3
188.07065	29.2
194.87408	2.0
197.06018	9.8
201.05515	7.0
203.17966	4.1
215.07077	6.4
219.01848	3.0
243.06517	5.3
243.13824	2.5
243.21144	8.4
261.08493	8.8
261.13089	100.0
261.22131	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0308
Annotation	Ifosfamide
Peak:m/z	Relative Intensity
55.05506	0.2
56.96563	1.0
60.95831	0.2
70.07069	0.6
71.91351	0.1
82.99863	0.2
83.04984	0.3
84.96025	0.2
98.20815	0.2
98.97585	3.5
101.00890	0.9
102.96872	0.3
105.06974	0.1
107.08586	0.2
116.98626	3.2
118.02648	0.2
119.01930	6.5
120.02008	0.3
120.97878	0.2
122.97881	0.2
128.98582	0.2
133.10150	0.2
134.99666	3.5
137.02956	2.1
140.00250	0.2
140.98804	0.2
142.03546	0.2
143.00160	0.2
146.99730	0.2
149.01155	0.2
153.00784	0.7
158.99843	0.8
161.01198	0.2
165.99634	0.3
170.99582	0.1
175.02994	0.3
177.00954	11.9
178.01105	0.6
179.00603	0.2
182.99942	0.5
189.00769	0.2
193.04114	0.3
195.02051	0.3
200.02560	0.3
201.00850	1.0
217.04031	1.9
218.03799	0.4
219.02005	19.0
220.02167	0.9
221.01720	0.8
225.00862	2.1
227.99585	0.2
237.02905	0.4
237.98726	0.5
238.98279	0.2
242.03656	0.4
243.01964	7.0
244.02150	0.4
260.04642	0.2
261.03061	100.0
262.03171	4.8
263.03571	0.3
266.03635	0.4
275.04617	0.2
279.00586	3.6
279.03650	0.2
284.01578	0.3
284.04666	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	260.1968
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
55.01860	0.2
55.05514	0.5
56.03595	0.2
56.05034	3.6
56.05288	0.3
56.96563	0.6
57.03445	0.4
58.06597	0.7
59.07380	0.3
60.04529	0.3
60.08164	10.1
60.45903	0.2
61.56924	0.2
67.05503	0.8
68.05016	0.3
68.62122	0.2
69.03429	0.2
69.07063	1.0
70.06595	1.5
71.57497	0.2
71.57906	0.2
72.08150	1.4
73.02927	0.3
74.00668	1.3
74.06080	0.2
81.04538	1.2
82.02946	2.3
83.06107	1.1
84.04505	6.4
84.08142	100.0
85.02908	0.7
85.06555	0.4
85.08485	0.5
86.09705	15.1
87.02680	0.3
87.06886	0.2
88.03979	0.2
91.28728	0.2
95.04980	0.3
95.06129	0.3
96.04478	0.4
97.02888	0.6
98.97603	0.4
99.04477	0.2
99.05595	0.9
100.03983	0.2
100.07610	1.0
101.07134	0.7
101.10777	2.6
102.05567	0.5
102.09171	1.2
102.41969	0.2
102.74435	0.2
103.02442	0.2
103.06348	0.4
108.12531	0.2
109.04010	1.1
110.04797	0.8
110.31243	0.2
111.05565	1.7
112.07597	0.5
113.01705	0.8
114.05566	0.2
115.02493	0.3
115.03277	0.7
116.07081	0.9
116.98637	0.2
118.08651	3.5
119.01916	0.8
120.01996	0.3
121.01654	0.3
124.00876	0.4
125.98680	0.2
127.03257	0.3
128.04015	1.4
129.01231	0.4
129.04829	6.7
129.06589	0.4
129.10239	12.0
130.05002	6.9
130.08636	4.9
131.01952	0.2
131.11732	0.2
132.10175	1.1
133.03426	0.3
134.99692	0.3
137.01721	0.4
137.02951	0.4
139.03307	1.0
141.10217	0.2
142.01958	5.0
143.02751	0.6
143.11800	0.6
145.03481	0.2
146.99641	0.2
147.06425	0.3
147.07640	7.5
147.11279	7.6
149.01187	0.2
151.04471	0.3
152.14342	0.2
155.02740	0.7
157.04317	9.8
157.09698	0.3
161.02919	0.6
162.04303	0.2
165.04373	0.2
168.05899	2.0
173.03825	0.4
173.09250	0.5
176.04787	0.3
176.32088	0.2
183.02209	1.1
183.08252	4.4
192.92296	0.2
197.06725	0.3
197.12923	1.2
197.16435	0.8
198.10588	6.2
199.11067	0.3
201.00706	0.3
201.03375	1.4
201.09303	15.0
202.09525	0.5
206.60454	0.2
208.99632	0.2
214.10822	0.2
216.11656	12.2
217.11984	0.5
218.08759	0.2
219.01808	0.2
225.16013	0.3
226.14401	0.4
229.03236	0.5
237.02580	0.3
242.14931	1.2
242.18608	0.9
243.13391	1.3
243.17035	6.9
245.08273	0.5
245.49452	0.2
260.10629	6.4
260.16251	1.8
260.19684	21.1
261.03198	0.5
261.05811	2.3
261.09076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1605
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
50.18031	0.6
52.54671	0.6
55.01874	0.7
56.05034	8.0
56.96561	2.6
58.06591	0.7
60.08168	8.6
67.05515	0.8
68.99903	0.5
69.07067	3.9
70.06577	1.6
71.04992	0.7
71.39693	0.8
71.40010	1.0
72.08156	3.6
74.00672	3.6
74.02427	0.9
81.04494	0.6
81.07076	0.6
82.02946	11.4
83.06104	51.8
84.04504	68.7
84.08143	26.0
84.96043	1.6
85.02946	1.3
86.09705	100.0
88.55100	0.6
90.05562	0.6
95.04993	0.6
97.02907	0.6
98.97601	2.0
100.03994	0.7
101.07143	7.2
102.05531	0.9
110.02364	0.7
110.06042	0.6
113.07117	0.7
114.03741	0.7
116.98605	1.2
120.08112	0.6
127.03886	0.9
129.01215	1.3
129.04865	0.8
129.06618	5.1
129.10234	4.7
130.05016	0.9
130.08644	2.4
132.09207	1.4
132.10201	25.3
134.99689	1.1
135.06761	0.6
136.20558	0.7
141.06606	2.6
142.01956	0.8
143.11795	1.7
144.06546	1.4
146.99675	1.0
147.07687	1.1
147.11182	1.2
151.07494	0.7
152.10666	0.8
154.95854	0.6
155.02736	3.4
157.02414	0.7
157.04355	2.8
157.13361	10.8
161.01224	1.4
161.09195	1.2
171.11278	3.6
183.02246	5.3
185.12820	3.5
189.12398	1.3
196.14465	7.5
197.12862	25.1
198.11292	1.7
201.03253	11.7
201.04944	0.8
213.98611	1.1
214.15659	0.8
216.11655	4.1
219.01791	1.3
225.12344	3.6
237.02850	1.2
242.14999	64.7
243.13405	40.2
243.17207	1.1
255.03825	3.2
260.10843	5.2
260.13425	1.3
260.16156	5.3
260.19562	6.0
273.05017	1.5
280.58667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03457	1.9
55.01867	1.6
55.05509	1.8
56.05033	12.6
56.96567	7.9
57.03442	0.7
57.07093	0.6
58.06590	3.1
59.07384	2.3
60.04520	0.9
60.08165	50.0
66.71281	0.6
67.05504	0.9
68.05018	0.5
68.86612	0.5
69.03437	0.9
69.07063	2.4
70.06602	3.2
71.27502	0.7
71.27829	1.2
72.04508	1.2
72.08154	33.3
73.02917	1.4
74.00665	21.0
74.06071	0.8
76.00265	0.6
81.04532	5.1
82.02942	54.7
83.06117	1.8
84.04507	11.3
84.08142	100.0
84.96033	1.1
85.02908	1.7
86.09705	35.1
87.02712	1.1
97.02859	0.8
98.97578	8.0
100.03980	5.7
100.04592	0.8
100.07615	1.3
101.07114	0.9
101.10795	2.4
102.05553	2.7
102.09201	0.9
103.05873	0.7
109.04033	3.4
110.02415	1.5
110.04827	0.8
110.97550	1.2
111.05569	1.7
111.09179	0.7
112.05098	1.9
112.07640	1.0
113.03484	1.2
114.03763	4.3
116.98616	8.4
117.07862	0.6
118.08667	4.6
119.01923	1.7
120.02013	1.3
127.03225	1.4
128.03461	0.7
128.04582	4.5
128.98599	1.1
129.01198	7.1
129.04832	6.4
129.10242	16.7
130.04993	12.8
130.05931	0.9
130.08644	9.5
132.10191	1.4
133.03539	0.6
134.99634	5.3
135.94289	0.6
137.02948	0.7
139.03291	0.9
140.98552	0.7
142.01953	8.2
143.00204	0.8
143.02776	1.4
143.11795	18.7
146.99664	1.6
147.07643	13.5
147.11287	10.9
153.00806	0.7
155.02737	19.6
157.04312	22.2
158.01260	0.8
158.04703	0.9
158.99684	1.8
159.54358	2.4
161.01271	1.2
161.03001	0.8
161.09244	1.0
162.63260	0.6
170.08205	0.8
171.11307	10.9
173.01334	1.0
173.03839	1.9
176.00964	0.8
177.00722	3.7
183.02245	29.0
183.08218	1.4
186.06931	1.0
189.00760	1.5
191.02252	0.8
195.01907	1.1
197.12971	0.6
198.10658	3.0
200.02333	0.9
201.03287	46.1
201.09299	26.5
206.06937	1.2
213.00740	0.9
216.11674	19.2
218.07019	0.9
219.01865	2.1
221.05164	0.7
224.08055	0.6
236.03236	0.8
236.08076	1.1
237.02750	2.9
242.15033	2.0
242.18716	1.1
243.13385	0.9
243.17072	6.2
245.08322	1.3
260.10672	34.6
260.16348	3.4
260.19687	23.1
260.22571	0.8
261.02960	3.0
261.05652	1.4
278.01001	2.1
279.03857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38403	1.2
55.05515	11.6
57.07062	4.4
61.44720	1.3
67.05508	12.3
69.07069	22.6
69.85297	7.4
79.05499	7.3
81.07063	29.6
83.08624	10.0
91.05486	4.8
93.07042	23.0
95.08609	46.9
97.10183	8.8
98.21407	1.9
105.07030	10.7
107.08599	34.2
109.10161	39.0
111.11718	5.5
119.08586	15.7
121.09326	2.1
121.10152	35.6
123.10912	1.9
123.11720	15.6
131.08574	1.3
133.10132	10.3
135.11693	25.1
137.13235	7.4
145.10139	1.9
147.11671	8.6
149.13260	25.3
151.14783	3.8
161.13297	10.4
163.14832	40.6
171.99944	1.4
175.14819	13.1
177.16382	8.4
189.16382	18.9
191.17961	12.6
203.17960	13.9
217.19475	4.4
259.24225	100.0
260.24673	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52044	0.4
54.03464	1.5
55.01868	1.7
55.05502	1.4
56.04778	0.9
56.05032	10.9
56.96564	8.4
57.03431	0.6
58.06591	3.4
59.07370	1.7
60.04541	1.1
60.08162	44.6
61.08502	0.7
67.05518	0.9
68.04990	0.9
69.03412	1.0
69.07053	2.0
70.06580	2.7
70.12463	1.2
70.12878	1.6
70.68158	0.5
71.04980	0.9
71.95274	0.5
72.04509	1.0
72.08149	19.2
73.02911	1.1
74.00661	19.5
74.06078	1.1
74.99074	0.8
76.00218	1.3
80.12877	0.5
81.03419	0.8
81.04520	3.3
82.02937	46.5
83.04967	0.5
83.06097	2.2
84.04498	13.0
84.04962	1.0
84.08138	100.0
84.96037	2.4
85.02897	2.1
86.09701	36.9
87.02713	1.2
88.04002	0.6
91.03279	0.7
92.01701	0.6
97.02869	1.0
98.21446	0.8
98.97570	6.7
100.03986	4.1
100.07653	1.0
101.00824	0.6
101.07139	0.9
101.10776	3.1
102.05537	3.4
102.97102	0.5
109.02882	0.7
109.04001	2.9
110.02399	1.5
110.04761	1.0
110.97531	0.8
111.05547	1.4
112.05104	0.6
112.07559	0.8
114.03777	3.2
116.07063	0.7
116.98625	6.5
118.08688	3.0
119.01891	1.2
120.01189	1.7
120.02032	0.8
121.01655	0.6
127.03177	0.6
127.03973	0.6
128.03453	0.7
128.07138	0.6
128.98608	1.7
129.01175	6.2
129.04829	3.5
129.06622	0.8
129.10236	16.8
129.83353	0.5
130.04967	3.2
130.08640	8.7
131.00240	0.6
132.10210	2.1
134.99646	3.5
140.01706	0.8
140.03413	3.5
140.98543	0.9
142.01956	8.0
143.00137	3.0
143.08096	0.7
143.11786	12.2
143.12898	0.6
146.99678	2.0
147.07643	2.6
147.11272	9.9
148.06032	1.0
149.01193	0.9
152.55768	0.5
152.99974	0.5
154.03648	0.7
155.02718	16.7
157.02332	0.7
157.04314	17.5
157.13393	3.1
158.01448	0.7
158.04465	4.3
158.99643	3.6
159.00829	0.6
159.54312	1.1
161.01210	3.5
161.02742	0.8
163.03957	0.8
165.00708	0.7
171.11273	6.0
172.95337	0.7
173.01428	0.6
173.03848	1.8
174.99158	0.8
175.02754	0.7
177.00677	4.4
179.02240	0.7
183.02235	27.4
185.12894	1.9
186.03961	1.7
186.06989	0.7
189.00682	1.1
189.12328	0.7
191.02263	0.7
193.03810	0.7
195.01772	1.1
197.12907	2.2
197.16502	0.7
198.10641	1.0
199.53876	0.7
200.05569	2.0
201.00520	1.3
201.03291	47.8
201.09297	27.0
203.02092	0.6
213.00780	0.6
214.10777	0.5
216.11652	17.5
218.05136	0.7
219.01689	3.3
219.03571	0.8
227.98561	0.6
237.00488	0.9
237.02800	14.2
242.15027	2.0
242.18719	1.0
243.13409	1.7
243.17050	7.7
245.08305	0.9
254.95212	0.9
255.01303	1.1
255.03870	16.2
260.04599	2.4
260.10678	28.1
260.16840	1.1
260.19669	23.8
261.02863	1.2
261.05612	0.9
261.08206	0.6
261.14453	0.7
273.04987	1.1
278.05453	0.7
279.03848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.05513	17.7
57.07059	9.4
67.05504	23.4
68.99784	7.4
69.07064	30.5
71.58845	3.1
79.05502	16.7
81.07062	42.5
83.04981	2.6
83.08605	10.4
91.05479	17.8
93.07053	34.9
95.04961	4.7
95.08608	67.8
97.06509	4.4
97.10166	11.9
105.03401	32.3
105.07023	35.4
107.08598	48.1
109.10161	52.9
111.04427	2.2
111.11700	7.4
117.07007	6.0
119.08581	36.5
121.10151	55.6
123.08030	3.3
123.11687	19.3
128.06216	2.1
129.01845	47.5
129.06975	7.3
129.37885	1.8
131.08572	10.0
133.10136	24.4
135.08078	2.4
135.11694	33.1
137.13274	14.3
141.07014	2.3
142.07759	2.7
143.08556	14.6
144.09341	3.0
145.10146	19.0
147.06564	2.2
147.08066	2.2
147.11676	14.0
149.13260	28.8
151.07587	2.2
151.14796	3.1
153.06973	3.7
156.09334	3.4
157.10155	17.9
159.11684	19.8
160.95088	1.9
161.13295	18.4
163.07536	2.3
163.14824	49.1
169.10178	3.3
171.11697	14.7
173.09579	2.2
173.13223	6.4
175.14871	15.9
177.16418	7.7
181.06543	5.1
185.08116	7.7
185.09604	2.6
185.13258	7.6
187.14859	3.5
189.09113	2.7
189.16386	17.8
191.17940	9.5
197.13243	4.4
199.11333	2.8
199.14857	13.5
201.16373	7.5
203.10640	2.7
203.14235	3.4
203.17946	14.5
213.16441	13.2
215.17926	4.1
217.12173	2.9
217.19514	5.3
231.21104	2.8
241.15886	15.8
241.19536	9.4
242.16289	2.5
255.16936	2.1
259.11282	5.5
259.16940	45.3
259.20560	36.6
259.24191	100.0
260.17380	2.9
260.20166	3.2
260.24567	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	259.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.4
56.96549	1.2
57.07071	5.9
67.05505	13.4
69.07070	15.0
71.08620	1.3
71.15558	2.5
71.19002	1.1
79.05501	5.5
81.07059	31.2
83.08629	9.8
84.21080	1.0
91.05482	7.0
93.07043	17.0
95.08606	46.6
96.08983	1.2
97.06562	1.2
97.10168	6.6
105.07029	14.6
107.08593	31.1
109.10157	36.2
111.11705	2.8
119.07776	1.7
119.08578	17.4
121.10144	30.2
123.11712	23.9
131.08597	2.0
133.10129	13.5
135.11678	17.2
137.12425	1.0
137.13263	9.4
141.34856	1.1
145.10110	1.4
147.08067	1.7
147.11682	9.9
149.13260	23.4
151.14845	2.6
154.94061	1.4
159.11697	2.9
161.09586	2.9
161.13225	11.6
163.14825	24.7
165.16318	1.5
170.66972	1.0
171.11693	1.1
172.95322	1.4
173.13261	1.4
175.14851	12.2
177.16403	8.2
180.64091	1.3
189.12794	2.1
189.16383	20.0
190.96317	1.4
191.17947	2.4
199.14745	1.3
201.09947	1.0
201.16385	1.2
203.14230	2.6
203.17943	13.6
204.13857	2.5
217.19476	3.8
218.85461	1.3
231.21088	1.9
259.16846	3.0
259.20663	10.4
259.24207	100.0
260.24603	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.05513	17.7
57.07059	9.4
67.05504	23.4
68.99784	7.4
69.07064	30.5
71.58845	3.1
79.05502	16.7
81.07062	42.5
83.04981	2.6
83.08605	10.4
91.05479	17.8
93.07053	34.9
95.04961	4.7
95.08608	67.8
97.06509	4.4
97.10166	11.9
105.03401	32.3
105.07023	35.4
107.08598	48.1
109.10161	52.9
111.04427	2.2
111.11700	7.4
117.07007	6.0
119.08581	36.5
121.10151	55.6
123.08030	3.3
123.11687	19.3
128.06216	2.1
129.01845	47.5
129.06975	7.3
129.37885	1.8
131.08572	10.0
133.10136	24.4
135.08078	2.4
135.11694	33.1
137.13274	14.3
141.07014	2.3
142.07759	2.7
143.08556	14.6
144.09341	3.0
145.10146	19.0
147.06564	2.2
147.08066	2.2
147.11676	14.0
149.13260	28.8
151.07587	2.2
151.14796	3.1
153.06973	3.7
156.09334	3.4
157.10155	17.9
159.11684	19.8
160.95088	1.9
161.13295	18.4
163.07536	2.3
163.14824	49.1
169.10178	3.3
171.11697	14.7
173.09579	2.2
173.13223	6.4
175.14871	15.9
177.16418	7.7
181.06543	5.1
185.08116	7.7
185.09604	2.6
185.13258	7.6
187.14859	3.5
189.09113	2.7
189.16386	17.8
191.17940	9.5
197.13243	4.4
199.11333	2.8
199.14857	13.5
201.16373	7.5
203.10640	2.7
203.14235	3.4
203.17946	14.5
213.16441	13.2
215.17926	4.1
217.12173	2.9
217.19514	5.3
231.21104	2.8
241.15886	15.8
241.19536	9.4
242.16289	2.5
255.16936	2.1
259.11282	5.5
259.16940	45.3
259.20560	36.6
259.24191	100.0
260.17380	2.9
260.20166	3.2
260.24567	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	259.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.9
57.07067	2.8
65.83545	0.8
67.05505	8.0
69.07072	22.2
70.06977	2.8
70.07393	2.1
79.05505	4.6
81.07060	21.8
81.14229	0.9
83.08630	9.3
91.05501	4.3
93.07053	16.5
95.08611	31.9
97.10175	9.2
100.46864	0.7
102.58641	0.8
105.07029	14.0
107.08597	25.1
109.10155	19.2
111.11715	3.6
119.08584	15.8
121.10153	23.4
123.11721	11.7
133.10132	13.5
135.11713	15.7
137.13248	6.1
145.10120	1.3
147.11684	9.6
149.13264	28.0
151.14789	2.0
157.10191	1.0
158.04520	1.1
159.11676	1.4
161.13292	7.8
163.14822	28.9
175.14839	12.6
177.16400	12.6
178.86559	0.8
187.32520	1.0
189.16397	22.6
191.17932	3.7
201.16522	1.1
203.17969	16.9
204.18300	0.9
217.19463	5.0
256.33456	0.9
259.24228	100.0
260.24564	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05510	10.2
56.96558	1.0
57.07061	4.3
60.34684	1.0
67.05500	13.5
69.07065	20.6
71.04991	1.1
71.08638	1.3
71.57764	2.2
79.05493	6.9
81.07056	31.4
83.08621	8.7
87.79072	1.1
91.05470	7.4
93.07044	21.1
95.08607	45.8
96.08942	1.2
97.06535	2.0
97.10164	11.4
103.93121	0.8
105.07026	17.7
107.08595	30.6
109.06534	1.6
109.10152	38.4
111.04427	1.5
111.11726	6.4
117.07017	2.9
119.08575	20.5
121.10139	37.4
123.11705	15.7
128.06215	1.1
129.07018	1.6
131.08600	6.5
133.10133	13.7
135.11676	22.5
137.13254	9.8
140.50473	1.0
142.07803	1.5
143.08551	4.2
144.62578	1.0
145.10124	7.9
147.10820	0.9
147.11710	10.3
149.13258	28.2
151.14821	3.4
151.66281	0.9
157.10170	4.9
159.11696	8.5
161.13293	9.2
163.14818	40.5
165.16493	1.4
171.11667	5.8
173.13263	3.2
173.77538	1.1
175.14853	14.6
177.16380	6.5
183.11894	1.0
183.34641	0.9
185.13237	2.7
187.14920	1.8
189.16365	15.0
191.17926	8.8
197.13252	2.0
197.56561	1.0
199.11208	1.2
199.14766	5.2
201.16382	2.1
203.10535	1.2
203.17923	10.7
207.38724	1.0
213.16405	4.3
215.17731	1.6
217.12253	1.8
217.19519	3.4
231.21138	1.8
241.15840	3.5
241.19563	3.3
259.17023	13.5
259.20621	11.4
259.24213	100.0
260.24570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95312	1.1
53.03952	1.9
55.05291	1.3
55.05512	12.0
56.96552	4.0
57.07066	4.0
58.06586	1.0
62.54413	1.0
67.05503	11.1
69.06736	1.6
69.07074	22.9
70.55444	1.1
70.55787	5.1
71.08640	1.4
79.05503	6.8
81.07060	30.3
83.04958	1.0
83.08611	6.7
91.05478	11.8
93.06471	1.7
93.07044	21.9
94.26061	1.2
95.04979	2.0
95.08612	35.5
97.06530	3.5
97.10178	10.9
105.07037	17.9
107.08598	31.3
109.10159	27.0
111.04383	1.9
111.11730	3.1
117.07029	2.9
119.07797	1.7
119.08588	22.0
121.09312	2.1
121.10152	27.7
123.11718	12.6
128.06241	1.3
129.06998	3.4
131.08559	6.4
131.51762	1.1
133.06488	1.8
133.10126	15.2
135.11705	18.3
137.13286	7.0
139.07571	1.1
141.07030	2.4
142.07764	2.1
143.08566	6.3
145.10107	9.8
147.08009	1.9
147.11716	10.6
149.13263	21.8
151.07353	1.6
151.14815	2.9
154.94194	3.7
155.08598	2.1
156.09299	1.2
157.10141	9.1
159.11713	11.3
160.12320	1.9
161.09641	1.7
161.13280	14.8
163.03960	1.6
163.14825	27.7
165.09221	1.3
171.11671	7.8
172.12122	1.1
172.95238	9.4
173.09541	1.2
173.13324	3.7
175.14835	10.5
177.16428	8.8
184.12213	1.8
185.09734	2.6
185.13258	4.0
187.14848	2.4
189.09233	1.9
189.16405	16.6
190.96294	4.3
191.17921	5.1
197.13322	3.5
199.11150	2.8
199.14899	6.8
201.16377	2.3
203.10648	3.6
203.17978	12.1
210.96834	2.0
211.14815	1.5
213.16411	7.1
215.06993	1.4
215.17950	3.9
217.19554	3.0
228.97879	3.5
241.15945	10.6
241.19519	2.7
246.99030	1.3
259.05991	2.2
259.16919	31.3
259.20648	10.0
259.24225	100.0
260.17273	2.7
260.20044	2.2
260.24469	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.5
57.07058	2.9
65.03938	1.1
67.05507	7.9
69.06728	1.5
69.07066	17.2
69.98805	6.5
76.21420	1.2
79.05493	5.1
81.07053	26.8
83.08615	7.5
86.15132	1.1
91.05472	4.1
93.07043	13.8
95.08601	34.1
97.10154	8.2
105.07030	11.2
107.08591	23.6
109.10155	20.1
111.11721	1.5
119.08575	12.8
121.10142	19.4
123.11698	10.4
128.13100	1.2
131.08444	1.3
133.10133	11.4
135.11687	15.8
137.13252	5.7
145.10144	2.0
147.11674	7.6
149.13252	25.6
151.14798	3.1
161.13249	6.6
163.14806	28.8
175.14818	10.2
177.16373	8.9
184.77101	1.3
189.16371	19.0
191.17950	9.8
201.16235	1.2
203.17953	14.2
217.19472	3.5
259.24203	100.0
282.35611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05501	22.5
57.07079	7.4
67.05504	24.0
69.07062	47.4
69.29185	36.4
71.04983	26.4
79.05483	14.1
81.07050	52.8
83.08611	11.7
85.06548	17.0
87.44598	3.2
91.05478	16.7
93.07040	30.8
94.35044	2.9
95.04935	5.5
95.08045	5.7
95.08608	74.6
97.06503	7.0
97.10179	7.0
98.20718	6.2
104.27139	3.3
105.07024	51.0
107.08588	53.6
109.06514	13.0
109.10155	50.6
111.08093	18.1
114.43117	3.4
117.07005	14.4
119.08572	76.7
119.09357	5.9
121.10146	34.6
122.10448	4.5
123.08131	5.5
123.11716	39.6
124.12032	3.4
129.06979	5.0
130.07823	3.3
131.08551	24.0
133.10126	51.1
135.08023	18.4
135.10796	4.3
135.11693	23.8
137.13208	8.3
139.26227	3.2
143.08580	11.4
145.10110	42.6
146.10576	4.6
147.11687	26.6
149.09581	3.2
149.13251	12.9
151.14806	6.4
155.08449	3.1
156.09315	4.9
157.10062	19.4
159.11700	36.3
160.12363	6.0
161.13261	57.4
162.13522	4.6
163.11128	3.8
163.14798	12.7
171.11688	20.6
173.13264	11.7
175.11378	3.6
175.14847	100.0
176.15508	6.4
177.12749	3.3
177.16386	8.6
185.13193	19.0
187.88333	3.2
188.15193	3.4
189.12791	8.0
189.16603	18.1
189.17880	3.4
199.14830	16.0
201.16385	24.1
202.16876	4.0
203.10593	4.8
203.14330	7.9
203.18008	6.1
213.16376	6.7
215.17961	6.6
217.19518	3.6
233.67268	3.5
241.15915	11.6
241.19489	17.6
251.22073	3.2
259.16974	37.3
259.20572	96.6
259.23822	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51720	2.0
53.03949	3.3
55.05504	10.1
56.96564	6.8
57.07075	18.2
65.03921	2.4
67.05504	16.7
69.03434	1.8
69.07072	14.9
71.04993	4.3
71.08622	2.5
71.59007	2.3
71.59411	1.8
79.05519	11.7
81.07048	13.6
83.08619	6.8
85.06551	7.4
91.05478	18.3
93.00401	1.7
93.07040	38.9
95.04991	2.4
95.08601	31.6
97.02930	2.3
97.06531	13.7
99.08102	3.3
105.07031	35.1
105.07684	3.1
107.08589	34.8
109.06533	2.3
109.10148	25.0
111.04455	4.0
113.09664	2.5
113.83452	1.6
115.05447	2.3
117.07024	12.3
119.08575	39.3
121.06482	2.6
121.10142	19.3
123.08060	3.5
123.11724	5.5
128.06230	5.4
129.06973	9.5
131.08582	19.9
133.06464	2.4
133.10124	50.4
135.08051	3.7
135.11681	15.1
141.06995	5.2
142.07770	4.4
143.08553	20.0
144.09328	3.0
145.10117	36.8
146.10609	2.4
147.08058	3.1
147.11676	19.8
149.13263	4.2
151.07559	3.4
151.11185	9.2
155.08536	4.1
156.09358	5.1
157.10123	21.4
158.10880	3.0
159.08069	2.6
159.11688	45.2
161.02428	2.6
161.09647	4.0
161.13258	11.3
163.03903	7.0
165.12798	5.7
169.03500	2.8
169.10103	2.4
170.10901	3.9
170.79414	1.9
171.11702	24.4
173.02429	3.6
173.13310	14.6
175.11201	8.1
175.14839	4.4
185.09641	3.4
185.13246	23.7
186.14070	2.3
187.14778	2.0
188.08253	9.8
189.09013	2.5
189.12712	4.4
189.16428	8.1
190.95384	4.1
197.13292	5.8
199.11351	2.8
199.14835	23.3
201.16380	66.8
203.10635	17.2
203.14398	5.2
213.16359	10.4
213.96860	3.1
215.07066	4.6
215.18010	3.3
217.15868	2.9
223.14919	2.1
231.17593	2.6
241.12401	2.5
241.13474	2.0
241.15823	16.2
241.19487	33.6
259.05753	2.2
259.09622	3.8
259.14105	3.5
259.16977	75.8
259.20593	100.0
259.28137	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	259.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
53.77299	0.4
55.01861	0.6
55.05502	3.5
56.96547	1.1
57.07077	2.1
58.07424	0.4
59.04972	0.5
60.95813	0.4
62.06057	0.5
67.05497	4.0
69.03419	1.3
69.07062	5.5
71.04979	1.6
71.08630	0.6
71.57980	0.4
71.58402	0.7
72.45297	0.4
73.19196	0.4
78.82304	0.4
79.05504	3.1
81.07060	7.0
83.04972	3.2
83.08602	2.5
85.06522	1.0
86.72229	0.4
91.05470	6.7
93.07043	5.7
95.04964	1.1
95.08604	14.3
97.06538	2.4
97.10175	1.4
99.08083	1.1
105.07028	12.4
107.08588	11.2
109.06500	2.2
109.10152	5.9
111.04467	0.5
113.09615	0.5
117.06992	2.6
119.08578	23.6
121.06510	2.5
121.10141	6.4
123.08077	5.9
123.11676	3.0
125.09653	0.4
128.06281	0.7
129.07004	1.7
130.07742	0.8
131.08568	4.8
133.06491	0.6
133.10129	14.3
135.08044	1.3
135.11693	3.0
137.09613	0.8
137.13280	0.9
141.06990	1.2
142.07817	2.0
143.08549	4.9
144.09331	1.4
145.10123	10.0
146.10730	0.5
147.08034	1.9
147.11688	8.2
149.09604	1.4
149.13263	1.5
151.07547	0.5
151.11118	1.0
155.08560	1.2
156.09370	4.2
157.10129	9.4
158.10881	0.8
159.11697	13.1
160.12317	0.4
161.09631	1.7
161.13252	6.5
163.03851	1.0
163.11211	3.2
165.12747	0.8
169.10078	1.1
170.10907	3.7
171.11694	21.1
172.12334	0.4
173.13293	7.7
175.11243	2.4
175.14815	5.1
177.12717	2.5
180.51930	0.4
181.10191	0.5
183.11693	0.9
184.12534	1.1
185.09698	0.8
185.13240	11.3
186.14061	3.0
187.14789	1.5
189.09117	1.2
189.12737	13.1
189.16341	3.1
191.14365	1.6
197.13266	1.4
199.11224	0.8
199.14812	9.1
201.16374	14.2
202.16678	0.5
203.10687	1.6
203.14314	4.9
203.17926	1.6
213.12785	0.4
213.16414	5.5
215.07022	0.8
215.17920	1.7
217.12172	0.6
217.15915	1.5
223.14719	0.6
231.17538	0.7
231.21117	3.1
241.15910	4.9
241.19518	14.9
255.88101	0.5
259.06161	1.0
259.16986	13.7
259.20569	100.0
259.28146	6.5
260.20963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.12764	0.6
51.36769	0.6
53.03944	1.0
55.01867	0.9
55.05511	6.5
55.14297	0.7
56.96553	2.5
57.03443	1.2
57.07071	2.6
58.79257	0.6
59.04980	0.7
63.30770	0.7
65.03944	1.0
67.05502	12.7
69.03444	0.6
69.07074	7.1
69.37514	0.6
69.72120	4.5
70.25258	0.7
71.04978	3.1
71.08626	1.0
79.05494	9.4
81.07052	13.3
83.04982	0.8
83.08623	3.3
85.06527	1.4
91.05479	26.5
93.07038	14.1
94.54964	0.6
95.04987	2.4
95.07672	0.7
95.08606	19.2
97.06531	5.6
97.10138	1.2
99.08104	1.6
105.03413	0.9
105.07030	31.8
107.05006	0.6
107.08585	14.6
109.06535	1.0
109.10155	7.6
115.05517	1.0
117.07010	8.0
119.08579	33.0
121.10148	9.2
123.11705	1.6
128.06203	2.0
129.07030	5.9
130.07797	1.0
131.08574	12.0
133.09111	1.3
133.10130	27.4
135.08044	1.2
135.11664	5.2
137.09575	1.5
141.06995	0.7
142.07758	2.7
143.08562	10.7
144.09344	1.4
145.10123	17.1
146.10957	1.3
147.11684	18.0
149.09630	1.2
149.13289	2.3
149.84045	0.6
150.91927	0.7
151.03897	0.7
155.08586	1.7
156.09290	3.3
157.10130	13.4
159.11687	19.5
160.12263	0.9
161.09669	1.6
161.13255	12.4
163.03876	7.0
163.11263	0.9
163.14761	1.1
167.08640	0.9
169.10159	1.6
170.10875	3.1
171.11688	23.8
172.94223	0.8
173.02432	1.7
173.13283	8.4
175.11197	1.9
175.14836	5.3
177.12749	0.9
181.04948	6.1
181.10101	0.8
183.11595	1.2
185.09607	2.2
185.13249	12.3
186.14021	3.4
187.14847	2.8
189.09174	1.8
189.12776	2.1
189.16455	4.1
190.95303	1.6
191.10672	0.8
197.13295	2.7
199.11203	1.5
199.14824	11.4
201.16365	11.7
203.10628	3.7
203.14328	2.3
203.18103	0.8
213.12886	0.7
213.16379	9.0
215.07027	2.1
215.17970	2.8
217.12213	1.0
223.14789	0.8
231.17412	1.0
231.21049	2.6
241.08673	3.7
241.15941	6.4
241.19513	17.5
259.09720	2.5
259.16965	23.8
259.20590	100.0
260.17273	0.8
260.20895	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.4
57.07082	4.5
58.54203	2.3
62.85619	2.4
67.05511	16.1
69.07073	37.3
69.29229	8.5
69.29650	20.2
71.04996	27.2
79.05495	9.9
81.07060	33.3
82.07372	3.1
83.04982	4.2
83.08609	9.8
85.06548	25.0
91.05486	14.6
93.07040	23.6
95.04942	2.4
95.08607	41.9
96.08929	2.7
96.45209	2.4
97.06527	4.2
97.10168	4.9
105.07039	30.3
107.08596	34.6
109.06503	11.1
109.10165	30.7
111.08068	18.0
114.27351	2.1
117.07017	8.6
119.08577	68.6
121.10162	29.9
123.08106	4.4
123.11711	31.6
124.12053	2.3
131.08585	12.9
133.10147	36.0
135.08040	18.8
135.11710	11.4
137.09622	5.3
137.13283	6.0
142.07779	3.4
143.08525	5.6
144.09363	3.0
145.10115	35.5
147.11693	30.6
149.13304	5.6
151.11229	2.7
151.14842	3.8
156.09346	4.1
157.10121	13.2
159.11691	30.2
160.12360	4.5
161.13255	38.2
163.11208	3.2
163.14822	7.7
165.16551	2.4
170.10869	3.3
171.11736	20.4
173.13249	9.8
175.11310	5.0
175.14847	100.0
176.15506	5.3
177.12708	5.6
177.16380	6.0
185.13252	14.2
187.14818	2.5
189.12724	5.9
189.16420	14.3
190.13626	2.6
197.13187	2.7
199.14810	5.4
201.16359	24.9
203.14322	11.2
203.18010	4.0
213.16339	3.0
215.17952	2.6
216.43234	2.3
241.15891	3.5
241.19528	17.3
259.17081	6.3
259.20575	94.1
259.23859	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1692
Annotation	Laurenol acetate
Peak:m/z	Relative Intensity
53.03949	1.2
54.28245	0.9
55.01863	0.9
55.05497	3.7
57.07063	1.0
63.92385	0.7
64.58829	0.9
65.03932	2.2
67.05500	10.4
68.16704	0.8
69.07066	7.8
70.24936	3.7
79.05485	12.4
81.07056	9.1
83.04964	1.6
83.08607	3.5
85.02873	0.9
91.05476	19.6
93.07039	19.2
93.35737	0.7
95.04960	2.8
95.08603	15.0
97.02888	0.9
105.07024	28.2
107.04926	1.4
107.08585	31.3
109.06487	2.3
109.10148	11.5
111.04441	7.5
115.05470	1.4
117.07027	8.0
119.08578	26.9
119.46290	0.7
121.06488	2.5
121.09296	1.6
121.10132	16.8
123.08067	2.4
123.11667	1.7
125.05977	1.1
128.06216	2.7
128.78633	0.7
129.07007	5.9
130.07721	1.3
131.08551	14.0
133.06476	3.2
133.10126	13.5
135.07979	2.1
135.11716	4.0
137.05983	2.2
139.07503	1.8
141.07030	2.8
142.07768	5.6
143.08556	17.3
144.09320	3.5
145.10123	15.5
146.10754	1.0
147.08076	4.8
147.11674	7.1
149.05962	1.8
149.09671	1.0
149.13245	2.0
151.07520	6.9
155.08530	3.6
156.09348	4.8
157.10117	23.3
158.10890	1.5
159.08113	1.3
159.11693	21.5
160.12419	1.2
161.09627	1.8
161.13257	14.3
163.07526	1.9
165.09084	4.9
169.10159	2.6
170.10939	2.3
171.08093	3.0
171.11688	16.8
173.09636	1.7
173.13257	9.6
175.07545	1.6
175.11311	1.5
177.09108	2.0
179.10655	1.1
181.10130	1.1
183.11717	1.3
184.12384	1.4
185.09627	8.9
185.13268	4.1
187.11191	1.1
187.14893	2.1
189.09106	6.4
191.10645	4.1
192.38060	1.0
195.11707	1.5
197.09619	1.2
197.13298	5.8
198.13985	1.1
199.11182	8.8
199.14841	19.8
203.10674	11.0
205.94637	0.9
213.12852	2.0
213.16389	22.0
215.18007	5.7
217.12225	4.5
223.14877	2.0
231.17453	2.3
241.15872	30.6
241.19600	1.2
252.05559	0.9
259.16946	100.0
259.19827	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	259.1695
Annotation	Phomallenic acid B
Peak:m/z	Relative Intensity
51.02387	0.8
51.33837	0.5
53.03942	1.0
55.01866	1.4
55.05515	4.9
57.07076	2.6
65.03936	1.5
67.05506	9.5
67.79281	0.6
69.07068	7.9
71.04991	1.0
71.08621	0.8
71.49531	1.0
72.13456	0.7
79.05493	11.8
81.07057	9.5
83.04967	1.9
83.08610	2.5
91.05489	16.7
93.07052	16.8
95.04971	2.0
95.08614	15.5
95.14751	0.7
97.06560	1.0
97.10110	0.8
103.05473	1.2
105.07034	26.7
107.04945	1.7
107.08604	27.5
109.06539	1.9
109.10161	11.8
111.04446	8.3
111.31924	0.6
115.05461	0.8
115.50801	0.6
117.07030	7.8
119.04906	1.2
119.08584	21.1
121.06512	2.1
121.10148	18.9
123.04510	0.7
123.08066	1.9
123.11691	2.0
124.38804	0.7
125.05997	2.1
128.06224	2.4
129.06999	6.5
130.07777	1.9
131.08586	13.7
133.06494	2.5
133.10130	11.6
135.08034	1.8
135.11678	2.9
137.05949	1.1
139.07542	2.3
141.07010	3.9
142.07768	5.6
143.08568	15.7
144.09319	2.8
145.10126	15.7
146.10974	0.7
147.08061	4.0
147.11697	6.6
149.05948	1.1
149.09612	1.2
149.13284	2.1
151.07532	5.3
153.09143	0.9
155.08569	1.8
156.09355	4.0
157.10132	23.0
158.10709	0.8
159.08134	1.0
159.11705	23.1
160.12500	1.2
161.09631	2.3
161.13281	15.2
163.07559	2.9
165.09105	4.0
167.08636	0.8
169.10143	2.1
170.10918	1.5
171.08105	2.6
171.11688	14.6
173.09676	2.2
173.13295	5.2
175.07565	1.8
175.11197	1.9
177.09116	2.1
179.10611	0.8
181.10138	2.3
183.11780	1.2
184.12476	1.1
185.09656	8.2
185.13281	5.2
187.11069	0.8
187.14847	1.6
189.09166	5.2
191.10669	2.9
195.11716	1.2
197.13257	7.5
199.11188	8.1
199.14830	19.3
201.16458	1.4
203.10678	10.9
211.11206	0.7
211.14893	1.2
213.12775	2.4
213.16406	23.3
215.18018	6.6
217.12273	4.6
223.14828	2.4
231.13831	1.8
231.17464	1.8
231.25183	2.0
235.11003	0.7
241.15884	33.2
241.19659	1.6
241.23421	1.2
259.16965	100.0
259.24347	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	259.1693
Annotation	Laurenol acetate
Peak:m/z	Relative Intensity
50.23351	0.8
53.03936	1.3
55.05502	3.3
57.07069	2.3
67.05513	5.9
69.07069	9.8
71.04980	0.8
71.08607	0.9
79.05486	7.3
81.07058	14.1
83.08617	2.1
91.05495	9.5
93.07048	10.9
95.08615	16.6
97.06515	0.9
105.03412	1.3
105.07033	18.3
107.04967	1.5
107.08599	17.5
109.06540	1.8
109.10170	8.1
111.04430	1.1
116.06182	0.8
117.07011	5.2
119.08588	19.7
119.09451	0.9
121.09320	1.0
121.10147	14.1
123.08073	1.2
123.11722	1.8
123.92367	0.8
125.06017	1.4
128.06265	1.3
129.07014	5.7
130.07788	1.2
131.08572	8.9
133.06493	3.1
133.10156	8.3
135.11691	3.3
137.13237	4.1
141.07005	3.0
142.07819	5.4
142.08768	0.8
143.08572	15.0
144.09288	1.9
145.10139	15.7
147.08011	1.9
147.11720	5.4
149.05957	1.2
149.09572	0.9
149.13272	1.8
151.07541	5.3
155.08528	3.7
156.09387	2.7
157.06529	0.9
157.10144	23.4
158.11003	1.7
159.11711	27.3
160.12482	1.6
161.09663	1.4
161.13281	11.4
163.07555	1.3
165.09100	1.2
167.08635	1.3
169.10187	2.2
170.10898	1.3
171.08081	3.0
171.11693	12.2
173.09705	1.0
173.13289	6.9
175.11307	0.9
177.09140	1.9
181.10141	1.3
182.10966	1.6
183.11710	1.2
185.09637	5.6
185.13199	5.0
187.11230	1.0
189.09146	3.8
189.16475	1.0
191.10718	1.6
195.11731	0.9
197.13284	11.2
199.11238	4.3
199.12935	1.2
199.14841	21.6
201.16364	1.0
203.10637	8.7
213.13025	1.0
213.16391	20.8
215.17897	4.8
217.12279	3.4
218.43939	0.9
223.14790	4.0
229.12331	0.8
231.13890	0.9
231.17534	2.1
241.15881	35.7
259.16962	100.0
259.20401	5.7
259.23547	4.1
260.17239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28537	0.5
55.05502	2.1
56.96548	1.1
57.03410	0.8
57.07043	0.7
67.05495	3.4
69.07059	2.8
71.59919	1.0
79.05491	2.6
81.07058	4.3
83.04984	2.5
83.08618	2.0
91.05468	4.7
93.07049	3.8
95.04945	0.8
95.08598	5.7
97.06520	3.3
103.66367	0.6
105.07037	7.6
107.08583	4.8
109.06506	1.1
109.10145	2.9
111.04446	0.7
111.75003	0.6
112.05023	0.6
117.07023	1.2
119.08577	8.0
121.10130	3.8
123.08038	0.9
123.11691	1.3
128.06158	0.6
129.07019	1.4
131.08588	3.6
133.10123	5.9
135.08047	2.0
135.11694	1.8
142.07747	1.3
143.08557	3.7
145.10124	5.1
147.08034	0.8
147.11703	3.6
149.13286	1.2
155.08580	0.8
156.09334	1.3
157.10127	4.0
159.11719	4.0
161.09633	1.8
161.13295	2.7
163.03854	1.1
163.11154	0.8
170.10828	0.8
171.11711	5.7
173.02402	1.3
173.13266	1.7
175.11139	3.1
175.14841	1.3
185.09596	0.9
185.13274	1.8
187.14914	0.8
189.12747	2.6
190.95345	0.8
196.08801	0.7
197.13181	1.0
199.11195	1.5
199.14893	4.0
201.16463	0.7
203.10664	1.0
203.14377	1.9
213.16422	2.4
215.06964	1.1
217.12099	0.7
231.13811	0.6
231.21172	1.6
241.12201	0.6
241.15836	2.8
241.19446	3.6
259.09561	2.3
259.16721	100.0
259.20563	24.0
260.17001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01263	1.2
54.81829	1.3
55.05504	3.9
56.05031	3.7
56.96568	10.9
57.03428	5.5
57.07069	4.4
58.06579	1.3
58.12633	1.3
59.04984	2.8
60.08141	1.7
61.02911	5.6
66.59576	1.2
67.05489	6.0
68.05009	1.5
69.03423	1.6
69.07059	4.3
70.06583	3.0
71.04995	7.6
71.50139	2.8
72.08144	2.7
73.06550	1.5
74.00658	2.8
74.97575	1.4
79.05478	6.2
81.04514	1.5
81.07057	19.4
82.05313	5.8
83.04974	3.5
83.06099	18.4
84.04034	2.5
84.04505	35.1
84.08150	7.1
85.02908	8.7
86.06070	4.1
86.09698	4.6
87.08080	1.9
89.03896	1.7
91.05465	4.2
93.07030	4.2
95.04948	2.3
95.08607	15.3
95.77013	1.3
97.02868	4.4
97.06498	1.3
98.97575	1.6
99.08088	3.0
102.05524	5.1
103.72244	1.5
105.07018	2.0
107.04935	2.8
107.08589	3.8
109.10168	1.9
110.04779	15.4
111.05562	100.0
112.07610	3.4
113.09628	8.7
114.09113	1.7
115.23544	1.3
117.03408	2.2
119.08581	3.7
121.10131	2.1
125.03439	1.8
125.07111	67.0
127.03945	3.0
128.01259	1.5
129.10223	2.5
130.05005	51.8
130.08650	1.3
130.12263	5.7
135.04420	7.7
136.71883	1.5
137.07050	1.5
140.07053	1.9
143.00168	3.3
145.02823	4.7
147.04416	4.8
147.07628	2.1
157.10219	1.6
161.01248	4.6
163.03906	41.6
163.12314	4.1
164.04240	3.2
164.60747	1.3
168.13821	6.2
170.99596	1.8
185.01256	1.5
187.02850	2.6
189.00751	2.4
191.11790	4.6
196.13344	37.2
197.02933	2.2
206.03349	3.8
209.12860	31.9
213.00720	3.9
213.16019	6.8
215.03911	7.7
223.14365	13.6
224.04449	4.4
226.54739	3.7
227.04948	1.6
227.13870	10.1
231.01787	10.4
232.23982	1.3
235.55214	3.2
237.00685	2.1
241.15477	76.7
242.13857	29.4
242.16147	2.4
249.02817	11.9
259.06052	2.1
259.09558	2.6
259.16547	71.0
259.20584	2.8
259.24219	2.4
260.14713	1.4
267.03885	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
50.29455	0.5
53.03933	0.8
54.19656	0.5
55.01868	3.9
55.05512	1.6
57.03427	1.4
63.02396	0.8
63.16553	0.5
67.05510	3.6
69.03441	1.7
69.07069	14.1
70.77187	0.5
79.05496	14.5
80.74893	0.5
81.07062	1.7
82.92751	0.6
85.06556	0.7
89.03920	5.0
91.05460	1.8
93.07059	1.1
95.04960	1.4
95.08621	1.4
97.02906	0.6
97.06534	100.0
99.08084	1.0
105.03390	0.8
105.07017	0.7
107.04958	1.0
107.08591	0.8
115.05408	0.8
116.98684	0.8
117.03384	5.1
119.08581	1.4
121.10139	0.9
131.04883	0.7
131.08551	1.1
133.02863	3.6
133.10167	0.7
135.04413	8.7
141.06953	0.8
145.02855	6.5
147.04367	1.6
149.13275	0.9
157.06482	0.5
159.04433	4.2
159.11707	1.0
161.02342	15.5
161.05922	0.8
163.03912	42.9
169.06458	0.6
173.02348	40.1
175.03908	1.9
185.05972	1.4
186.03148	1.2
187.03928	1.8
187.07587	1.1
197.05954	1.5
215.07036	48.3
229.17661	0.6
241.08586	1.5
259.09668	31.9
259.20706	1.4
259.24084	1.0
260.57355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0966
Annotation	Peucedanin
Peak:m/z	Relative Intensity
50.13560	0.4
51.02372	0.5
53.03950	0.9
55.01871	4.8
55.05501	1.4
56.84241	0.5
57.03436	2.1
62.89647	0.4
63.57503	0.4
65.03915	0.5
66.28246	0.4
67.05509	4.9
69.03430	1.5
69.07070	16.9
71.04998	0.5
71.59669	0.8
77.03915	0.6
79.05495	16.4
81.03425	0.6
81.07056	1.8
81.98576	0.4
83.04981	0.5
83.08595	0.6
84.20552	0.4
85.84244	0.4
89.03918	6.3
91.05499	3.5
93.07078	0.6
95.04984	1.4
95.08611	1.5
97.02906	1.0
97.06532	100.0
105.03401	0.8
105.07017	1.1
107.04952	1.4
107.08604	1.2
109.10184	0.9
115.05433	0.7
117.03374	5.7
119.04961	0.8
119.08577	1.1
121.10166	0.9
123.11732	0.7
128.38405	0.4
129.07065	0.7
131.04958	0.7
131.08527	0.7
132.02101	0.5
133.02863	3.6
133.10139	1.3
134.03625	1.1
135.04420	9.3
135.11717	1.0
141.07004	0.9
143.08473	0.6
145.02859	7.2
145.06517	0.4
145.10120	0.6
147.04416	1.3
147.11685	0.9
149.13309	0.6
157.04004	0.5
157.10020	0.5
159.04448	3.7
159.07983	0.6
159.11671	0.6
161.02345	15.9
161.05965	1.5
161.09637	0.5
161.13329	0.5
161.27260	0.4
162.03137	0.6
163.03908	50.7
163.14886	0.5
169.06502	0.6
173.02350	38.0
175.03918	1.8
175.11266	0.6
181.04939	2.1
184.05226	0.7
185.06007	1.6
186.03134	1.2
187.03932	0.9
187.07549	1.4
189.09088	1.2
195.08043	0.8
197.06018	1.1
199.14774	0.5
200.04625	0.8
207.02806	0.5
213.09059	0.7
215.07034	45.7
241.08589	2.8
241.19643	0.6
259.09677	30.9
259.17010	1.3
259.20596	2.0
259.24222	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	1.8
71.12622	3.4
80.04607	1.3
84.08143	1.5
85.02902	1.6
91.05453	1.8
97.02878	2.7
127.03925	2.8
195.23587	1.2
220.83801	1.3
259.04266	100.0
259.16736	1.8
259.20456	2.4
265.46310	1.1
273.02353	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.6
57.13203	0.9
60.06449	0.9
61.02942	1.0
69.03448	1.1
70.90555	1.1
70.90894	2.3
72.08150	1.0
81.40585	1.0
84.04516	2.4
84.08134	2.8
86.09740	2.2
97.02898	2.1
98.97586	2.9
101.00889	3.5
116.98618	1.5
119.01936	13.3
129.10223	1.1
131.01859	0.9
133.03477	6.9
134.99689	1.6
137.02048	1.6
137.02982	3.2
139.00046	2.2
140.03407	2.2
143.56824	1.3
146.99715	1.2
147.04393	2.2
149.02936	2.2
151.04510	4.1
158.04506	1.4
158.99597	1.0
163.03941	1.4
171.01485	1.5
174.99159	1.8
175.00798	9.5
187.03375	0.9
189.02423	10.3
190.48402	1.0
193.01967	4.3
199.00671	1.6
199.02180	16.5
201.00719	1.2
207.03432	1.3
217.00113	1.6
217.01962	13.9
235.01050	1.4
235.03046	12.9
240.03653	1.3
241.03175	7.5
259.04276	100.0
259.20560	1.3
277.00958	1.8
277.04141	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.3
57.06822	1.8
57.07075	25.7
58.03395	1.2
58.06587	3.6
62.06093	13.2
67.05494	1.9
69.07043	2.8
71.08621	8.8
79.05489	1.5
85.10188	3.3
93.07077	1.4
95.08618	2.3
97.06544	1.6
105.07019	1.5
107.08582	1.8
109.10172	1.5
119.08569	3.5
121.10155	1.7
131.08609	1.5
133.10172	2.1
139.93974	1.1
149.13269	1.7
157.10135	2.1
171.11635	1.4
173.02373	1.2
182.49771	1.2
240.26866	5.5
258.19446	2.1
258.23047	3.9
258.27930	100.0
259.16940	3.5
259.20688	1.5
259.27975	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	12.5
57.03422	10.0
57.52131	6.3
60.74030	6.6
69.03411	24.4
70.06593	35.2
71.22327	8.6
71.58029	10.7
71.58448	7.8
81.03414	11.5
81.07072	12.4
83.04948	7.0
84.04489	19.5
84.08138	27.8
85.02902	31.9
86.06062	18.0
86.09704	8.7
91.76447	8.6
95.08609	11.8
97.02895	69.5
100.07518	8.2
105.07015	12.2
107.08591	12.8
114.05526	75.2
119.01913	52.5
119.08556	13.2
121.35114	7.0
127.03893	11.7
128.07079	33.4
131.01938	11.2
133.03441	9.9
133.53015	6.3
137.02937	15.7
138.66571	6.9
143.01840	10.4
145.03429	12.3
161.02930	20.7
171.11722	10.8
173.02864	6.9
175.04488	9.9
178.05846	15.9
199.14825	9.5
203.04211	7.8
203.10303	8.4
215.10243	8.6
217.01900	7.6
217.05719	8.8
235.02998	7.7
235.06644	17.9
259.02182	100.0
259.12988	40.2
259.16968	27.3
259.20419	10.8
259.24191	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	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.6
57.07069	2.4
67.05511	7.6
68.51108	0.7
69.07077	6.4
69.61240	4.4
72.38577	0.7
74.09708	2.8
79.05486	3.2
81.07064	13.1
83.08621	2.7
85.10226	0.7
88.34444	0.9
91.05470	4.2
92.95318	0.7
93.07050	11.3
95.08612	26.7
97.10169	1.8
98.20823	1.2
105.07042	10.7
107.08604	20.0
109.10174	10.8
117.07007	2.2
119.08595	18.8
121.10153	16.5
123.11718	8.8
131.08583	7.8
133.10143	16.9
135.11702	13.6
137.13261	2.3
140.06839	5.6
143.08534	2.4
144.09344	1.2
145.10132	17.4
147.11690	8.6
149.13274	9.9
157.10225	1.7
158.10927	1.8
159.11702	18.7
161.13264	12.0
163.14856	6.7
171.11728	1.3
173.13275	15.0
175.14810	7.3
185.13284	2.2
187.14848	16.1
188.15617	0.9
189.16551	0.9
196.34688	1.0
197.17200	0.8
199.14836	1.6
200.15550	1.5
201.16403	15.1
213.16379	1.6
215.17999	6.9
228.18663	0.7
229.19563	2.2
257.22659	100.0
258.22992	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88827	0.3
52.57539	0.3
53.03930	0.4
55.05262	0.4
55.05513	5.2
57.07080	2.5
57.55648	0.2
61.43156	0.2
65.03915	0.3
67.05173	0.5
67.05509	6.8
69.07068	6.9
70.30627	1.3
74.09718	0.3
77.04018	0.3
79.05496	4.6
81.07060	13.7
83.08623	3.3
91.05481	4.7
93.07050	11.4
95.04982	0.6
95.08610	26.9
97.10173	1.6
104.75464	0.3
105.07034	12.4
107.08598	18.3
109.06508	0.6
109.10159	14.5
111.11748	0.3
117.07017	2.6
119.08582	18.1
121.10148	16.6
123.08088	0.3
123.11715	8.1
125.47987	0.3
128.06252	0.5
129.06984	0.9
130.07758	0.8
131.07584	0.4
131.08574	8.6
133.10135	16.2
135.11702	12.7
137.13245	2.0
140.06810	1.1
141.06949	0.3
142.07681	0.5
143.08560	2.2
144.09323	1.2
145.10130	17.3
146.10771	0.3
147.11690	10.1
149.13269	10.0
149.14198	0.2
149.14491	0.3
151.14842	0.7
155.08583	0.7
157.10139	2.2
158.10880	1.2
159.11697	17.4
160.12321	0.5
161.11969	0.6
161.13269	10.4
163.14825	5.7
169.10127	1.0
171.11679	1.4
172.12469	0.6
173.13275	15.9
175.14844	6.6
177.16389	1.2
181.10042	0.3
183.11749	0.8
185.13289	1.9
186.13974	0.3
187.14827	15.2
188.15504	1.1
189.16418	1.5
195.11574	0.4
196.12582	0.3
197.13297	1.5
199.14781	1.3
200.15596	0.8
201.16408	14.2
202.17097	0.6
211.14830	0.5
213.16411	1.6
214.17104	0.5
215.10651	0.3
215.17975	6.1
227.17993	0.4
228.18707	0.6
229.19516	2.2
239.14333	0.6
239.17970	1.1
242.03229	0.3
257.15579	1.9
257.19217	3.8
257.22647	100.0
258.22937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.05511	4.9
57.07062	1.9
61.03822	0.7
66.75586	0.6
67.05516	5.3
69.07066	5.5
69.97371	3.4
79.05484	3.4
79.93879	0.6
81.07056	11.8
83.08609	2.8
91.05492	3.2
93.07035	9.1
95.08603	21.9
97.10138	1.4
102.43467	0.6
105.07028	10.2
107.08598	18.0
109.10157	11.6
117.07005	0.7
119.07785	1.2
119.08572	14.8
121.09310	1.1
121.10141	14.4
123.11707	7.2
131.08557	7.1
133.10135	12.9
135.11681	12.2
137.13263	1.6
143.08597	1.0
144.09328	1.1
145.10115	13.4
147.11685	8.9
149.13258	8.6
157.10097	1.2
158.10905	0.7
159.10443	1.1
159.11679	14.9
161.13243	9.8
163.14813	5.2
169.10197	0.7
171.11700	1.2
173.13248	14.4
175.14836	5.9
185.13245	1.1
187.14822	14.3
189.16335	1.1
199.14835	1.2
200.15602	0.8
201.14563	1.1
201.16397	14.4
213.16467	1.5
215.17967	5.0
229.19504	1.5
239.17868	0.8
257.22635	100.0
257.44992	0.6
258.22940	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	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.1
56.75692	1.2
57.07069	4.4
60.08147	1.2
63.29179	0.9
67.05506	10.4
67.06938	1.1
69.07065	9.8
71.04984	1.3
71.08610	1.7
71.58632	1.5
79.05480	6.9
81.07054	19.0
83.04993	2.7
83.08622	5.2
85.06560	1.1
85.79335	1.0
91.05469	7.1
93.07045	15.2
94.05221	1.0
95.04960	2.3
95.08609	35.6
97.06511	1.0
97.10147	2.8
102.53491	1.5
105.07039	18.1
107.08592	27.6
107.09298	2.1
109.06541	1.6
109.10158	15.9
111.04432	1.5
113.09652	1.3
117.06979	5.4
119.08588	24.7
121.10144	19.1
123.11713	8.7
128.06244	1.6
129.06976	2.5
131.08574	14.4
133.10124	17.2
135.08095	1.8
135.11702	10.9
137.09566	1.8
137.13252	3.1
141.06976	2.8
142.07727	1.6
143.08548	8.8
144.09335	1.4
145.09032	2.0
145.10121	21.1
147.11690	14.2
149.09653	2.7
149.13258	10.2
155.08551	5.4
157.10118	9.2
157.18802	1.1
158.10892	1.3
159.11699	24.5
160.12402	1.3
161.09583	1.3
161.13243	14.3
162.13622	1.1
163.14815	5.6
167.08575	1.2
169.10091	6.6
170.10870	1.4
171.11681	7.5
173.09656	2.5
173.13274	22.7
175.11188	1.2
175.14821	8.8
177.16579	1.6
181.10150	1.6
183.08127	1.3
183.11694	8.7
185.13300	5.0
187.11203	3.8
187.14825	17.0
188.15547	1.4
189.16582	1.4
195.11739	2.1
196.12497	1.7
197.13257	10.4
199.14807	6.9
201.12756	3.2
201.16400	14.1
211.14786	7.2
213.12910	1.2
213.16417	6.5
214.17088	1.4
215.10825	1.7
215.14371	1.2
215.17932	8.8
224.15649	1.3
229.19505	6.6
230.24849	3.0
239.14345	4.7
239.18010	8.1
257.15399	12.1
257.19040	53.2
257.22662	100.0
257.30249	13.3
258.19482	1.3
258.24265	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	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.2
57.07067	1.6
67.05502	3.2
69.07070	3.7
70.16782	1.7
70.17201	0.8
74.09715	0.6
76.74277	0.5
79.05475	1.9
81.06647	0.7
81.07062	7.9
82.52551	0.5
83.08633	2.5
91.05477	2.3
93.03711	0.5
93.07044	7.7
95.08610	18.3
97.10165	1.9
105.07036	6.3
107.08600	13.6
109.10161	10.6
111.11691	0.5
117.07040	1.2
118.06980	0.5
119.07793	0.9
119.08588	11.5
121.10147	13.3
123.11705	8.3
129.07008	0.6
130.07777	0.6
131.08568	5.5
133.10143	11.6
135.11703	9.8
137.13255	2.2
143.08562	0.9
145.10129	10.8
147.11679	6.8
149.13261	7.5
151.14818	0.6
157.10089	1.4
158.10873	0.8
159.10463	0.3
159.11696	12.2
161.13272	8.7
163.14841	4.4
173.13263	12.9
175.14819	5.7
183.11642	0.5
185.13306	1.3
187.14838	13.2
188.15553	0.8
189.16376	1.0
197.13185	0.6
199.14828	1.1
200.15594	0.7
200.30608	0.5
201.14584	0.9
201.16388	11.8
213.16370	0.7
215.17921	4.3
229.19562	2.1
237.43074	0.6
257.15344	1.5
257.22647	100.0
258.22949	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44521	0.6
55.05513	4.3
57.07073	1.7
60.35596	0.5
66.47591	0.6
67.05512	5.9
69.07066	6.9
71.40060	1.0
79.05491	2.7
81.07058	11.6
83.08617	3.7
91.05461	2.9
93.07042	10.3
95.08611	22.7
97.10152	2.4
105.07030	9.1
107.07867	1.0
107.08592	18.2
109.06488	0.8
109.09452	1.0
109.10159	13.7
117.07005	1.6
119.08582	17.4
121.10139	16.7
123.11708	7.8
129.06972	0.7
130.07713	0.7
131.08571	7.1
133.10138	14.7
135.11702	12.1
137.13260	2.2
143.08527	1.4
144.09314	1.4
145.10132	13.1
147.11693	10.1
149.13257	8.2
151.14825	0.7
157.10103	1.4
158.10919	1.3
159.11700	14.8
161.13264	8.8
163.14821	5.9
171.11618	1.1
173.13263	15.9
175.14832	6.8
182.30643	0.6
185.13245	1.6
187.14822	15.9
188.15645	0.8
189.16513	0.8
199.14801	0.9
200.15552	1.0
201.16389	13.8
213.16417	1.0
215.17995	6.4
229.19553	2.1
257.22650	100.0
258.22971	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.8
57.07062	3.1
67.05504	6.0
68.88184	0.8
69.07069	7.1
69.88954	1.4
69.89374	2.8
77.19272	0.8
79.05484	4.1
81.07056	14.9
83.08611	3.5
84.35809	0.8
91.05478	3.7
93.07043	13.6
95.08608	25.3
97.10153	2.7
105.07027	9.6
107.08591	19.1
109.10156	15.7
117.07027	1.9
119.08578	21.8
119.09197	0.4
121.09301	1.5
121.10141	17.7
123.11716	9.9
131.08554	7.9
133.10135	17.4
135.11694	12.9
137.13286	1.9
143.08531	1.6
145.10115	17.4
147.11690	10.6
149.13263	10.4
157.10080	1.7
158.10889	1.0
159.11687	18.0
161.13255	10.9
163.14781	6.0
171.11670	1.0
173.13258	17.8
175.14815	7.9
177.16399	1.1
187.14836	15.8
199.14825	1.1
200.15457	0.9
201.16373	14.7
213.16504	1.6
215.17941	6.0
229.19565	2.9
248.01227	0.8
257.22644	100.0
257.26459	5.4
258.22971	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33689	0.4
55.05512	2.7
55.81762	0.5
57.07069	1.4
65.94545	0.5
67.05505	4.5
69.00925	0.7
69.07078	3.8
70.81680	0.6
70.81998	1.3
79.05500	1.5
81.07061	8.6
83.08604	2.7
88.95090	0.5
91.05474	2.2
93.07053	7.9
95.08610	17.6
97.10183	1.2
105.07040	7.2
107.08604	14.1
109.10163	9.4
111.11756	0.7
111.46153	0.6
117.07016	1.4
119.08585	11.5
119.44972	0.5
121.10149	13.7
123.11712	7.2
129.06952	0.5
131.08577	5.7
133.10130	10.8
135.11700	9.5
137.13239	1.6
143.08556	0.7
144.09406	1.0
145.10124	8.6
147.11693	8.1
149.13264	8.2
151.14774	0.7
157.10194	0.8
158.10941	1.2
159.11707	12.3
161.13269	7.1
163.14850	6.8
172.12383	0.6
173.13264	13.2
175.14828	5.0
177.16397	0.9
185.13280	1.0
187.14842	10.7
200.15576	0.6
201.16383	12.0
213.16370	0.8
214.17058	0.8
215.18007	4.7
228.18642	0.7
229.19557	1.3
257.22656	100.0
258.23010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24949	0.5
55.05511	5.7
57.03449	0.5
57.07080	2.8
58.06583	0.5
66.70173	0.5
67.05505	7.0
69.07069	6.9
71.08627	0.9
71.59595	0.7
79.05494	3.5
81.07055	13.4
83.08609	3.7
91.05479	4.8
93.07037	10.7
95.04950	0.8
95.08602	25.6
97.10159	1.5
105.03399	1.0
105.07030	9.8
107.08589	20.7
108.08876	0.6
109.10151	13.7
109.89980	0.5
117.07032	2.7
119.08578	18.3
121.10143	17.9
123.11718	7.3
123.65376	0.5
129.07022	1.1
130.07770	0.7
131.08563	9.4
133.10130	16.4
135.11679	12.8
137.13246	1.8
141.06955	0.7
142.07803	0.6
143.08563	2.4
145.10118	15.5
146.10857	0.6
147.11688	9.7
149.09639	0.6
149.13252	9.1
151.14807	0.6
155.08591	0.9
157.10086	2.9
158.10869	1.5
159.08061	0.8
159.11688	19.5
160.12529	0.6
161.09627	0.9
161.13242	8.8
163.14838	5.9
169.10117	1.9
171.11668	1.8
172.12369	1.0
173.09671	1.8
173.13268	18.1
175.11127	0.7
175.14833	6.6
177.16505	1.0
183.10245	0.6
183.11650	2.6
185.13234	3.1
187.11176	2.2
187.14822	17.9
188.15628	1.1
189.16402	1.4
197.13261	2.5
199.14891	2.4
200.15564	0.9
201.12767	1.2
201.16393	11.7
211.14806	1.5
213.16393	2.8
214.17052	0.5
215.14523	1.1
215.17986	6.5
227.18001	0.6
229.19484	3.7
239.14302	2.0
239.17905	2.7
257.15393	3.7
257.19046	19.4
257.22653	100.0
258.19315	0.6
258.22961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.9
57.07057	1.7
67.05500	5.7
69.07073	5.7
71.30096	1.3
79.05479	2.9
81.07050	14.4
83.08593	2.6
85.35671	0.6
91.05479	3.5
93.07037	11.4
95.08604	22.4
97.10165	2.2
105.07030	11.3
107.08593	17.2
109.10155	11.3
117.07008	2.5
119.08572	17.0
121.10143	14.9
123.11713	8.4
131.08560	6.9
133.10126	15.8
135.11697	11.8
137.13211	1.6
140.06766	0.9
141.06749	0.6
143.08501	1.5
144.09311	1.7
145.10110	13.8
147.11690	8.8
149.13257	7.7
151.14775	0.8
155.08499	1.4
157.10092	1.9
158.10876	2.0
159.11693	17.8
161.13260	9.9
163.14798	5.4
171.11679	1.9
172.12512	0.7
173.13268	16.2
175.14813	5.9
183.11688	0.9
185.13261	2.2
187.11221	0.9
187.14816	14.3
188.15523	0.9
189.16362	1.1
197.13219	2.3
199.14799	1.9
200.15594	1.1
201.16362	11.7
211.14801	1.5
213.16420	1.5
215.17937	4.9
229.19498	2.2
239.14352	1.0
239.17992	1.1
257.15305	2.9
257.19098	6.4
257.22635	100.0
258.22989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75990	0.6
55.05507	5.2
57.07067	4.2
67.05500	7.2
69.06725	0.7
69.07060	7.6
69.47875	1.4
69.48282	4.0
71.08620	0.6
75.78993	0.5
79.05485	3.3
81.07052	15.3
83.08611	3.4
85.06551	1.0
91.05488	5.7
93.07036	10.9
93.24355	0.5
95.04968	1.0
95.08601	21.4
97.10156	1.9
103.72355	0.5
105.03384	3.7
105.07026	11.7
107.08585	15.8
109.06527	1.3
109.10147	15.6
117.06996	2.5
119.08571	16.3
121.10138	12.3
123.11699	6.0
129.07007	1.2
131.08543	8.5
133.10126	14.8
135.11694	8.4
137.13177	1.5
141.06992	1.1
142.07802	1.0
143.08575	3.7
144.09326	0.9
145.10109	17.0
147.11671	10.3
149.12161	1.0
149.13248	9.1
155.08528	3.0
156.09332	1.4
157.10132	4.1
158.10896	2.0
159.11681	17.3
160.12437	0.9
161.13249	9.0
163.11197	0.8
163.14832	5.5
169.10103	2.9
171.11700	2.9
173.13252	16.4
175.06613	0.6
175.14806	6.7
177.16347	1.8
182.10904	0.9
183.11659	2.3
185.13202	1.6
187.11198	1.3
187.14810	14.1
189.16386	1.4
195.11598	0.7
197.13216	4.3
199.14777	2.5
201.12862	0.7
201.16389	14.4
211.14754	2.3
213.16290	3.5
215.14346	1.1
215.17972	7.1
221.13258	0.7
229.19510	2.9
239.14424	3.0
239.17949	2.9
257.15488	6.2
257.19040	14.8
257.22620	100.0
258.15631	0.7
258.22913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47009	0.5
55.05516	5.4
56.96563	1.3
57.03420	0.8
57.07077	3.0
67.05507	7.4
69.07069	6.6
70.48220	1.8
71.08627	0.9
78.48486	0.6
79.05502	3.4
81.07053	12.1
83.04986	1.7
83.08607	4.0
91.05483	6.9
93.07037	10.5
95.04948	1.3
95.08607	18.6
95.63556	0.6
97.10149	2.3
103.05423	0.8
105.07029	11.7
107.08583	15.7
109.06527	0.7
109.10150	12.4
110.60312	0.5
111.04412	0.8
111.92400	0.5
117.07014	3.9
119.08580	16.8
119.42205	0.5
120.96618	1.0
121.09315	0.9
121.10143	13.3
123.08007	0.8
123.11692	6.4
128.06183	0.9
129.06966	2.5
130.07787	0.8
131.08563	10.1
133.10129	13.3
135.08061	0.9
135.11674	8.8
137.13269	1.3
141.06982	5.8
142.07753	1.8
143.08582	4.2
144.09341	1.1
145.10123	16.6
147.11681	9.2
149.13272	7.1
151.07570	0.8
154.07701	0.6
155.08543	11.8
156.09267	1.4
157.10139	6.1
158.10860	1.2
159.08058	0.9
159.11700	17.0
160.12370	0.9
161.09558	0.7
161.13254	11.2
163.14799	4.6
167.08539	1.4
169.10129	8.7
171.11659	4.1
172.12405	0.7
173.09787	0.6
173.11765	0.9
173.13261	16.7
175.14809	4.4
177.16409	0.7
179.08545	0.7
181.10176	1.0
182.10904	2.2
183.08044	1.3
183.11687	4.9
185.09647	0.5
185.13264	1.7
187.11247	1.1
187.14822	16.6
188.15517	1.0
189.16382	1.2
195.11714	2.1
196.12404	1.9
197.09639	1.3
197.13246	9.3
199.14821	2.6
200.15593	0.6
201.09114	3.5
201.12657	0.5
201.16400	12.8
211.14828	20.0
212.15157	0.7
213.16386	2.4
214.17171	0.7
215.10619	1.0
215.14417	0.7
215.17946	5.1
221.13264	1.5
229.15935	1.0
229.19516	2.3
236.10611	0.8
239.14333	7.2
239.17967	3.4
257.15402	23.9
257.19067	10.0
257.22632	100.0
258.09076	1.0
258.22913	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.4
57.07058	2.1
60.57803	0.6
67.05505	5.1
69.07068	6.7
70.26085	3.0
71.08619	0.5
78.92207	0.6
79.05495	3.0
81.07059	11.5
83.08624	3.1
91.05463	3.4
93.07050	11.3
95.08611	22.1
97.10169	1.8
105.07030	9.9
107.08598	15.5
109.09457	0.9
109.10165	13.2
117.07013	1.6
119.08580	15.8
121.10139	14.5
123.11709	7.9
129.06982	0.9
131.08566	7.8
133.10141	13.3
135.11700	9.8
137.13255	2.0
143.08534	1.4
144.09326	0.8
145.10124	10.5
147.11691	8.2
149.13264	8.4
151.14813	1.3
157.10127	1.6
158.10895	1.3
159.10443	1.1
159.11708	15.7
161.13248	8.8
163.14824	7.0
171.11703	0.6
172.12511	0.8
173.13264	16.5
174.13687	0.7
175.14827	6.6
177.16409	1.0
179.23192	0.6
185.13263	1.7
187.11096	0.6
187.14825	13.4
188.15514	0.5
189.16406	0.7
199.14806	1.7
200.15602	0.6
201.16397	12.2
213.16402	1.0
215.17987	5.8
229.19531	1.9
257.22647	100.0
258.15640	0.6
258.22961	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05498	4.4
59.04997	1.3
63.49049	1.5
65.03933	1.5
67.05518	7.5
69.07050	5.7
70.06886	6.2
71.04979	4.9
79.05503	7.0
81.07041	4.2
83.05001	2.4
83.08626	3.1
85.04774	1.3
85.06525	2.7
91.05475	7.9
93.07043	17.3
95.04969	7.3
95.08621	9.2
99.08078	1.8
105.07025	24.9
107.08599	16.1
109.06502	6.4
109.10156	11.4
111.08095	2.2
113.93957	1.2
115.05425	1.9
117.07014	4.0
119.08583	21.7
121.10147	82.4
123.08098	6.0
123.11682	1.5
128.06226	1.6
129.06995	4.7
131.08563	10.1
133.10133	9.3
135.08057	24.6
135.11662	3.6
137.09628	8.1
142.07751	4.0
143.08549	19.2
144.09314	1.5
145.10115	16.6
147.11679	3.2
149.09612	4.9
151.11182	1.4
155.08539	3.7
156.09319	3.0
157.10161	19.6
158.10905	2.3
159.11681	18.1
160.12204	1.6
161.13312	1.3
163.11208	4.7
168.09355	2.2
169.10103	8.7
170.10889	1.6
171.11678	11.2
173.09613	1.9
173.13269	22.4
175.11087	2.4
175.14796	1.8
177.12747	1.7
183.11696	8.4
184.12442	2.2
185.13231	2.1
187.11134	6.0
187.14859	4.9
189.12753	2.4
197.13220	6.9
199.14825	36.8
201.12773	8.4
209.13237	1.5
211.14729	1.5
213.16400	9.4
214.17116	3.5
215.14355	2.6
215.17984	7.0
229.05792	1.6
239.17963	15.1
257.19006	100.0
258.19345	4.5
258.27844	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03959	0.4
55.01860	0.6
55.05510	3.4
57.03439	0.5
57.07070	1.3
65.03928	0.6
67.05501	4.8
68.16060	0.2
69.03426	1.0
69.06712	0.5
69.07063	5.2
71.04990	1.0
71.08607	0.3
71.48535	0.4
76.06368	0.2
79.05486	4.0
79.45917	0.2
81.03412	0.6
81.07052	12.1
83.04969	1.7
83.08611	2.2
85.06549	1.0
91.05469	7.9
93.06463	0.5
93.07039	7.5
95.04976	1.2
95.08602	11.6
97.06526	1.6
97.10165	0.5
99.08037	0.3
103.05436	0.3
103.95923	0.2
104.88823	0.2
105.07026	12.3
107.04977	0.8
107.08590	9.5
109.06518	1.7
109.10151	4.9
111.04429	0.3
111.08080	1.0
113.09637	2.7
115.05470	1.0
116.06236	0.5
117.07008	5.6
119.04992	0.4
119.08573	10.7
121.06491	2.1
121.10139	6.8
123.08083	1.0
123.11690	1.4
128.06194	1.9
129.07010	4.1
130.07782	0.8
131.04941	0.5
131.08560	11.8
133.06474	1.3
133.10123	7.1
134.10484	0.3
135.08051	1.5
135.11684	4.5
137.09618	0.8
137.13309	0.3
141.06981	4.7
142.07768	3.9
143.08553	10.4
143.73367	0.2
144.09346	1.4
145.06479	1.8
145.10110	16.0
146.10522	0.3
147.08026	2.0
147.11688	5.4
149.05963	0.3
149.09602	1.8
149.13242	1.5
151.11205	0.5
153.06984	0.9
154.07767	1.1
155.08546	10.5
156.09337	2.7
157.06535	0.4
157.10121	17.7
158.07272	0.5
158.10786	1.0
159.08063	3.1
159.11681	22.5
160.08762	0.3
160.12402	1.3
161.09639	2.3
161.13235	3.8
163.07523	0.5
163.11180	1.6
163.14809	0.9
165.07085	0.3
165.12775	0.3
166.07809	0.3
167.08540	2.1
168.09349	2.6
169.10117	13.5
170.10898	1.5
171.08104	0.6
171.11674	7.7
172.08852	0.7
172.12468	0.4
173.05830	0.3
173.09630	3.6
173.13257	9.1
174.13942	0.3
175.07629	0.3
175.11169	2.0
175.14818	4.1
177.12778	0.6
179.08563	0.6
180.09308	0.4
181.10117	2.6
182.10931	3.4
183.08185	1.4
183.11684	13.0
184.12392	1.2
185.09639	0.8
185.13257	4.2
186.10362	0.2
187.07578	0.9
187.11160	6.9
187.14796	5.0
188.11905	0.7
189.12772	1.4
193.10181	0.3
195.11700	4.2
196.08792	0.3
196.12448	4.0
197.09624	1.4
197.13245	19.8
198.13933	1.8
199.11182	1.0
199.14813	5.7
199.16576	0.4
200.11815	0.3
200.15482	0.3
201.09142	2.3
201.12723	6.3
201.16420	2.2
202.13362	0.2
206.10922	0.8
209.13286	1.4
210.14047	0.9
211.11464	0.5
211.14804	14.5
212.15189	0.4
213.12997	0.5
213.16370	14.0
214.17070	0.8
215.10837	1.2
215.14346	4.1
215.17906	5.3
221.13223	3.4
224.11977	0.9
224.15651	1.0
227.18005	1.2
229.16020	3.2
229.19479	10.8
230.19824	0.4
239.14308	17.1
239.17972	14.4
239.20459	0.4
240.14673	0.5
240.18306	0.4
257.15421	23.9
257.19006	100.0
257.22382	3.5
258.15759	1.0
258.19354	2.0
258.27979	0.5
271.35941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01865	1.1
55.05514	4.9
57.07067	1.2
60.89103	1.0
67.05506	9.6
69.07070	4.7
70.03868	5.3
71.04983	4.3
71.67805	0.9
79.05492	8.8
81.07050	7.6
83.08624	2.3
85.06528	2.3
89.86997	1.0
91.05467	11.5
92.20733	1.0
93.07041	18.6
95.04964	5.0
95.08600	10.9
97.06540	1.5
98.20842	1.4
103.05458	2.2
105.07028	27.7
107.08588	17.0
107.33247	1.2
109.06513	8.2
109.10169	10.2
111.08086	4.0
115.05453	2.2
117.07014	8.6
119.08588	22.7
120.61841	1.1
121.06538	1.8
121.10139	98.8
123.07253	0.9
123.08055	6.2
123.11691	1.4
127.12729	0.9
128.06229	1.7
129.07014	5.8
130.07768	1.0
131.08580	17.6
133.10117	9.6
133.30885	1.1
135.08055	32.2
135.11679	4.6
137.09630	6.3
141.06993	3.0
142.07774	5.2
143.08563	16.5
145.10114	21.5
146.10428	1.0
147.11646	3.4
149.09610	4.1
151.11176	1.4
151.65196	1.0
155.08577	3.4
156.09290	1.7
157.10114	18.9
158.10863	1.4
159.08086	1.4
159.11685	15.3
161.09612	2.0
161.13193	2.0
163.11189	3.1
168.09308	1.4
169.10146	9.0
171.11708	9.4
173.09572	1.2
173.13263	15.9
175.14822	1.7
177.12703	1.4
179.46797	1.0
181.10112	1.4
183.11693	10.9
184.12387	1.9
185.13271	3.7
187.11139	3.5
187.14821	3.5
189.12714	1.9
195.11700	1.4
197.13280	7.8
199.14819	36.8
201.12737	4.7
209.13245	1.2
211.14795	2.4
213.16341	11.8
214.17099	1.1
215.14388	2.0
215.17900	5.4
226.27354	1.2
236.53348	0.9
239.17949	15.7
257.19000	100.0
258.19366	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05499	6.8
56.96560	3.5
57.03418	1.5
57.07067	2.9
67.05504	10.3
67.11481	1.2
69.03416	1.3
69.07071	8.4
69.54353	1.5
69.54757	8.6
71.04977	4.4
79.05488	9.8
81.07053	10.3
83.04976	4.5
83.08611	3.5
85.06547	3.5
91.05483	11.6
93.07036	20.1
95.04981	5.7
95.08602	17.0
97.06485	2.2
97.10167	1.2
99.04466	1.1
105.07030	23.2
107.08590	22.5
109.06519	8.2
109.10155	13.2
111.08092	4.3
115.05430	1.4
117.07014	7.4
119.08568	24.4
119.09352	1.8
120.96579	1.2
121.06457	1.4
121.10141	79.5
123.08082	4.3
123.11708	4.1
128.06258	1.9
128.88858	1.2
129.07033	4.3
129.65721	1.3
131.00005	1.1
131.08575	16.3
133.10127	14.8
135.08047	28.9
135.11661	5.5
137.09616	6.6
137.13229	1.4
141.07005	2.2
142.07761	4.5
143.08549	16.9
144.09335	2.7
145.06470	1.3
145.10118	20.4
147.08028	1.5
147.11671	6.2
149.09599	5.0
149.13225	2.9
151.11131	1.3
155.02756	1.1
155.08560	6.5
156.09361	4.8
157.10107	21.9
158.10857	3.8
159.11674	18.7
161.09627	1.6
161.13271	4.5
162.53484	1.1
163.11201	4.6
168.09355	2.9
168.25589	1.1
169.10100	11.4
170.10951	2.8
171.11673	11.1
173.09573	1.3
173.13257	20.4
175.11165	2.1
175.14804	3.2
177.12741	2.0
181.10185	1.7
182.10977	1.2
183.11682	7.4
184.12560	2.6
185.13281	2.5
187.11130	3.7
187.14844	7.2
189.12700	2.6
195.11708	1.5
196.12381	2.3
197.13286	10.1
199.14821	33.2
201.09213	1.5
201.12744	8.3
201.16443	4.6
209.13255	1.2
211.14790	2.7
213.09663	1.2
213.16370	8.3
214.17052	2.0
215.14253	3.7
215.17924	6.4
229.15868	1.2
235.03419	1.1
239.14287	1.9
239.17975	15.2
242.16605	1.2
257.15381	6.9
257.19000	100.0
257.22604	20.2
257.26639	3.3
258.19318	3.0
268.25449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01870	5.6
55.05256	3.7
55.05511	47.7
56.05816	2.8
56.96553	2.7
57.03444	3.3
57.07070	3.7
59.04984	4.2
61.36116	2.3
65.03928	4.5
67.05170	4.2
67.05508	69.9
68.99782	6.9
69.03429	4.2
69.07064	19.3
71.04642	3.8
71.04997	41.0
71.34707	5.1
79.05501	42.4
81.07058	59.8
83.04991	34.1
83.08633	4.3
83.25649	2.4
84.05320	6.6
85.06547	20.0
86.09698	2.6
87.04452	6.5
91.04964	4.3
91.05486	60.6
93.07044	79.6
93.07630	4.8
95.04956	12.2
95.08609	100.0
97.02902	13.3
97.06544	23.1
98.03224	4.8
98.97592	11.4
99.08089	8.1
101.06019	37.0
103.28609	2.1
105.07032	34.5
107.08593	24.7
109.06500	4.2
109.10140	20.0
111.04439	26.1
111.08092	14.3
113.06018	3.4
115.03986	2.8
116.98605	7.2
117.07018	9.4
119.08586	67.6
121.02921	3.8
121.06509	5.0
121.10146	26.4
123.08074	7.7
123.11720	2.8
125.05988	3.5
127.07501	2.5
128.06245	4.0
129.05478	15.3
129.07034	6.3
131.04918	2.9
131.08585	13.7
133.10135	34.7
135.08044	6.3
135.11671	5.0
137.09627	22.1
138.05510	6.4
139.05821	6.4
139.07506	4.3
143.08562	9.8
145.06543	5.9
145.10199	3.8
147.06552	10.1
147.08054	21.9
147.11661	8.4
151.07513	2.6
151.11214	12.0
155.04956	4.4
155.10658	3.9
157.10115	6.3
159.11682	9.5
161.06003	3.7
161.09584	4.0
161.13251	21.0
165.09102	2.3
173.06000	5.8
175.11191	5.4
175.13310	3.4
175.14835	60.2
177.00771	5.3
180.80981	2.4
183.01289	2.5
183.04381	3.3
185.13278	27.5
187.03928	3.7
193.15938	10.2
199.96873	2.5
201.05493	13.4
202.06296	2.3
203.14305	30.0
212.37424	2.1
219.01805	3.2
221.15352	36.5
229.04953	25.4
237.07072	6.4
239.16399	25.0
244.99696	3.0
246.07639	2.9
246.43776	2.4
257.04471	80.7
257.07715	3.6
257.12045	21.8
257.17426	5.7
258.04895	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	257.1535
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
52.84980	0.9
55.01860	1.6
55.05497	3.6
57.07063	2.8
60.08171	5.8
67.05492	4.4
69.03410	0.9
69.07069	5.4
69.88339	4.5
71.04958	1.7
71.08621	1.2
71.94901	0.9
77.03947	0.8
79.05491	4.1
81.07065	6.6
83.04959	1.3
83.08624	1.9
91.05482	14.2
93.07046	6.4
95.04972	2.0
95.08604	7.4
97.06511	1.2
98.21419	1.1
105.07038	19.5
105.88246	0.8
107.08600	7.3
109.06544	1.3
109.10146	2.5
111.04420	1.4
115.05441	2.2
117.07011	7.2
119.08586	23.5
121.06477	0.9
121.10141	4.7
123.08037	1.8
125.05979	0.9
127.37852	0.9
128.06210	3.4
129.07011	6.7
131.08574	13.2
133.06537	1.7
133.10109	9.2
134.36523	0.8
135.08092	1.4
135.11671	2.6
140.06830	0.8
141.06990	10.0
142.07788	7.3
143.08569	14.9
144.09384	3.8
145.06493	1.2
145.10124	42.8
147.08040	1.1
147.11690	3.3
151.07559	3.4
153.06982	1.7
154.07698	2.0
155.08563	25.9
156.09357	6.9
157.10133	28.4
158.10846	1.1
159.08080	2.7
159.11697	43.0
160.12486	21.5
161.13191	3.5
165.06995	1.8
166.07753	1.3
167.08542	5.1
168.09380	3.3
169.10127	27.1
170.10869	3.4
171.08005	1.3
171.11674	11.4
172.12370	1.0
173.09618	2.3
173.13326	3.9
179.08508	2.5
181.10080	7.0
182.10916	9.4
183.08171	4.6
183.11699	17.0
184.12306	0.9
185.13284	3.7
185.43286	0.9
187.11180	2.9
187.14769	2.6
193.10097	2.1
195.11687	12.8
196.12439	9.6
197.09637	6.9
197.13258	50.6
198.13835	1.6
199.14810	2.5
201.09135	7.7
201.12762	2.0
201.16432	2.1
206.10956	1.9
209.13370	1.7
210.08611	0.9
210.10579	1.3
210.14041	1.8
211.11441	1.5
211.14822	41.5
213.16408	8.3
215.10681	4.1
215.14265	2.0
215.17932	1.6
221.13268	9.0
224.11954	2.0
224.15654	1.0
229.12141	1.1
229.15906	3.9
229.19476	1.8
239.14314	52.4
239.17848	7.9
242.12810	1.1
256.29996	0.9
257.15366	100.0
257.18979	29.7
257.22195	7.9
257.27148	1.6
257.30331	34.2
258.04663	0.8
258.15665	1.7
267.97379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1532
Annotation	SCHEMBL13903782
Peak:m/z	Relative Intensity
51.02383	0.4
51.26625	0.2
52.10015	0.2
53.03933	0.6
55.01872	0.7
55.05511	3.1
57.03428	0.5
57.07066	1.1
59.04988	0.4
65.03930	0.4
65.91499	0.2
67.05500	4.5
69.03420	0.6
69.07066	4.6
71.05000	1.4
71.59381	0.4
79.05488	4.5
80.30817	0.2
81.03419	0.5
81.06576	0.5
81.07053	8.8
83.04982	1.7
83.08610	2.0
83.37769	0.2
85.06541	2.5
91.05476	9.6
93.07040	7.0
95.04988	1.4
95.08601	8.8
97.06528	1.2
97.10159	0.6
99.08086	0.8
102.92881	0.3
103.05465	0.3
105.07026	14.0
107.04962	0.8
107.08591	8.9
107.09187	0.2
109.06513	1.3
109.10147	4.7
111.08084	0.8
113.09623	0.7
115.05451	1.1
116.06244	0.3
117.07008	5.8
119.08575	14.4
121.06506	1.5
121.09303	0.5
121.10141	6.2
123.04452	0.3
123.08081	1.3
123.11689	1.2
125.09639	0.3
128.06206	2.5
129.07002	6.9
130.07784	1.1
130.55443	0.3
131.04938	0.4
131.08560	11.3
132.09369	0.4
133.06465	1.7
133.09120	0.5
133.10120	8.6
135.08044	1.9
135.11678	2.9
137.09624	0.9
141.06136	0.2
141.06981	9.5
142.07784	4.7
143.08557	12.9
144.09334	2.1
145.06514	1.8
145.10118	21.7
147.08023	2.8
147.11679	4.4
149.09618	2.2
149.13242	0.9
151.07565	0.5
151.11232	0.8
153.06976	1.5
154.07751	2.0
155.08553	19.9
156.09349	3.7
157.06496	0.8
157.10124	20.6
158.07254	0.5
158.10954	1.4
159.08057	3.4
159.11687	22.1
160.12486	4.0
161.09631	2.1
161.13298	3.1
163.11246	1.3
165.07021	1.4
165.12689	0.4
167.08569	3.2
168.09332	3.0
169.06444	0.6
169.10118	20.2
170.10893	2.5
171.07974	0.4
171.11681	14.1
172.08800	0.6
172.12430	0.9
173.06129	0.4
173.09625	4.8
173.13252	8.6
175.07599	0.4
175.11176	2.5
175.14874	1.6
177.12758	0.5
179.08571	1.2
180.09355	1.0
181.10109	3.9
182.10905	6.2
183.08102	3.7
183.11687	15.2
184.08765	0.3
184.12430	1.5
185.09657	0.9
185.13252	6.6
186.10359	0.4
186.14024	0.3
187.07556	1.1
187.11200	5.4
187.14815	3.7
189.12741	1.4
191.08565	0.5
193.10136	0.4
195.07973	0.3
195.11693	8.0
196.12473	4.3
197.09615	4.1
197.13252	30.9
198.10294	0.3
198.13953	1.6
199.11143	1.1
199.14812	7.8
199.16565	0.5
200.11792	0.3
201.09103	6.1
201.12755	7.0
201.16420	1.2
203.10721	0.3
206.10924	1.2
209.09618	0.5
209.13232	1.3
210.10350	0.4
210.14029	1.7
211.11232	1.3
211.14812	19.9
212.15176	0.4
213.12793	1.9
213.16368	18.8
214.13559	0.5
214.17061	0.6
215.10735	3.3
215.14365	4.7
215.17940	6.5
221.13251	4.4
224.11969	1.0
224.15555	1.2
227.14281	0.3
227.17911	0.3
229.12279	0.5
229.15973	2.4
229.19505	5.8
239.14310	22.7
239.17964	15.4
242.12973	0.3
242.16594	0.4
257.15408	43.8
257.19000	100.0
258.15787	0.4
258.19363	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.05508	2.7
57.07074	1.4
67.05505	3.3
69.07065	3.3
71.59774	0.7
77.03918	0.8
79.05488	9.0
81.03434	0.6
81.07054	37.3
83.08596	0.9
90.99810	0.6
91.05479	6.5
93.07043	17.0
95.04968	8.3
95.08600	5.6
97.10166	0.6
105.03388	100.0
105.07024	6.1
105.55029	0.5
107.08588	17.7
109.06538	0.9
109.10146	4.1
113.48651	0.5
117.07013	1.8
119.08585	6.3
121.10143	3.6
123.11742	0.8
129.07008	1.9
131.08565	3.6
133.10123	4.6
134.81267	0.5
135.08070	0.8
135.11691	13.0
137.09636	1.3
141.06981	1.1
142.07767	1.0
143.08575	2.3
144.09312	0.7
145.10107	5.6
147.07985	0.8
147.11707	2.7
149.13286	1.3
155.08521	2.6
156.09312	0.9
157.10106	4.6
159.11700	6.6
161.09709	0.8
161.13240	1.4
163.14806	0.9
168.09254	0.8
169.10059	3.3
170.10944	0.6
171.08073	0.6
171.11714	1.6
172.95267	0.6
173.09740	0.5
173.13264	3.5
175.14880	1.2
177.09164	0.7
181.10141	0.7
182.10857	0.9
183.11711	2.3
185.13309	1.4
187.11180	1.6
187.14857	3.1
190.96155	0.8
195.11723	1.2
197.13232	4.8
199.14845	1.7
201.09145	0.7
201.12807	1.1
201.16420	1.4
211.14812	2.6
213.16422	3.1
215.14328	0.6
215.17970	2.0
229.15956	0.5
229.19566	1.1
239.14323	3.0
239.17860	2.4
257.15411	8.9
257.19031	17.5
257.22653	12.8
257.26755	1.0
257.30237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1534
Annotation	SCHEMBL13903782
Peak:m/z	Relative Intensity
53.03940	0.8
55.01873	0.9
55.05512	4.1
57.03432	0.9
57.07063	1.2
62.25614	0.4
65.03950	0.5
65.15809	0.4
67.05508	5.2
69.03421	0.7
69.07067	5.3
70.10912	0.4
70.57044	1.4
71.04984	1.6
71.08631	0.4
77.03928	0.4
78.71767	0.3
79.05489	3.9
81.03419	0.4
81.07063	9.1
82.56089	0.3
83.04990	2.1
83.08623	1.8
85.06537	2.8
91.05478	10.3
93.07049	7.6
95.04990	1.8
95.08607	9.9
97.06535	1.5
97.10184	0.7
99.08060	0.9
103.05446	0.7
105.07035	15.5
107.04963	1.1
107.08598	9.6
109.06512	1.7
109.10149	4.7
111.04441	0.6
111.08056	1.1
113.09643	1.0
115.05441	1.7
116.79918	0.5
117.07018	6.1
119.04874	0.5
119.08586	14.7
121.06496	2.0
121.10159	6.7
123.08071	1.8
123.11708	1.6
128.06198	2.9
129.07013	6.3
130.07808	0.9
131.04926	0.6
131.08572	10.6
133.06520	1.9
133.10135	9.6
135.08055	2.0
135.11693	3.2
137.09648	1.1
141.05969	0.7
141.06999	11.0
142.07782	6.2
143.08563	14.4
143.09680	0.7
144.09346	2.2
145.06497	1.9
145.10129	23.1
146.10869	0.5
147.08060	2.8
147.11691	4.8
149.09642	2.9
149.13251	1.1
151.11179	0.5
153.06978	2.1
154.07784	2.3
155.08549	22.1
156.09358	4.6
157.06519	0.9
157.10133	24.6
158.10863	1.6
159.08113	3.2
159.11697	23.2
160.12469	3.2
161.09665	2.5
161.13284	3.2
163.11197	1.7
163.14832	0.5
165.07005	1.6
167.08536	3.9
168.09340	3.4
169.06421	0.7
169.10130	23.8
170.10904	2.3
171.08072	0.8
171.11699	13.9
172.12444	0.8
173.09663	4.4
173.13275	9.5
175.11201	2.1
175.14879	2.1
179.08545	1.2
180.09317	1.1
181.10123	4.0
182.10913	6.8
183.08081	4.5
183.11693	14.7
183.90108	0.4
184.12433	1.6
185.09578	1.0
185.13269	7.2
187.07559	1.5
187.11191	6.8
187.14845	3.7
189.12781	1.1
191.08505	0.5
192.09358	0.4
193.10167	0.9
194.11072	0.4
195.08098	0.4
195.11703	10.3
196.12447	5.3
197.09608	4.8
197.13264	35.3
198.13959	1.5
199.11148	1.5
199.14830	8.1
200.11992	0.5
201.09120	7.7
201.12743	7.1
201.16360	1.3
202.13673	0.4
206.10953	1.1
209.09669	0.8
209.13242	1.2
210.10365	0.4
210.14072	1.4
211.11278	1.3
211.14821	23.9
212.15315	0.5
213.12791	1.6
213.16379	17.5
214.13487	0.6
214.17148	1.2
215.10715	4.6
215.14313	5.2
215.17921	6.3
221.13275	5.3
224.11966	1.3
224.15591	1.1
227.14359	0.6
229.12218	0.7
229.15901	2.8
229.19499	6.9
239.14307	27.9
239.17972	16.2
242.12892	0.4
242.16617	1.1
257.15399	51.6
257.19000	100.0
258.15625	1.1
258.19327	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77044	0.3
71.38718	0.6
72.93495	0.3
74.09726	14.0
76.10745	0.2
89.19657	0.3
111.35699	0.3
114.08926	1.7
123.05602	0.6
140.06833	100.0
141.07231	0.6
195.63132	0.3
231.16875	0.3
257.14731	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	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57257	0.5
55.01867	1.3
55.05519	1.4
56.96555	1.0
57.03236	0.6
57.03439	6.8
57.07060	1.0
67.05499	1.1
69.03410	0.9
69.07057	1.0
69.54552	5.4
71.04993	0.8
73.02888	0.7
75.04477	2.7
78.99184	0.6
79.05489	4.8
81.07042	2.1
83.04977	1.1
85.02895	1.1
85.32857	0.7
86.09676	0.8
87.33141	0.6
91.05473	3.0
93.07062	1.6
95.04945	1.1
95.08616	1.5
97.02897	1.4
98.20802	1.4
98.97601	1.8
103.05476	2.3
105.07034	31.4
107.04941	3.1
107.08591	1.3
109.02879	0.6
109.06516	1.4
111.04436	0.6
115.05411	0.8
116.98604	0.8
117.07024	1.0
119.04916	1.0
119.08595	1.2
121.10191	0.6
121.72633	0.7
122.03661	3.2
123.04465	0.7
123.08058	0.6
124.05193	0.8
127.03923	9.1
128.04272	0.6
129.06935	0.7
131.08551	1.1
133.06493	50.0
134.99664	0.9
135.07997	0.6
137.05980	100.0
138.06310	1.0
141.07008	0.7
142.96542	0.7
147.04387	1.9
147.08054	0.8
151.07602	0.7
158.99808	0.8
159.07957	0.6
159.11688	1.0
161.01239	0.7
163.07541	3.9
165.09120	28.6
175.07552	4.2
175.11180	0.7
177.09109	0.9
181.08638	2.3
182.99712	0.7
183.10178	7.6
193.08656	0.8
201.00720	4.1
201.02312	0.6
203.10669	1.5
209.11726	1.7
219.01796	1.8
221.11774	2.6
236.56035	0.7
239.12837	1.6
245.56509	0.7
257.04507	1.2
257.13467	1.3
257.19080	0.9
257.22604	1.0
257.26605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.3
55.01869	7.4
55.05513	70.2
56.96543	3.3
57.03444	12.3
57.07058	3.9
59.04975	4.1
61.67378	1.3
65.31894	1.6
67.05181	2.2
67.05503	25.6
68.99782	3.0
69.03432	18.9
69.07071	22.7
71.04969	5.1
71.27398	3.6
73.06575	1.6
79.05502	34.0
81.03410	2.9
81.07063	32.4
83.04998	9.5
83.08145	1.9
83.08622	31.4
85.02886	4.6
85.06511	6.0
86.09695	2.0
89.83768	1.7
91.05503	9.7
93.07052	12.3
95.04923	4.9
95.08607	22.6
97.02896	83.5
97.06495	6.7
97.10175	68.6
98.03181	2.1
98.97557	6.7
99.92728	1.6
100.07634	1.6
105.07039	14.5
107.08591	30.6
109.06503	3.0
109.10160	7.6
111.04433	1.8
111.08030	2.2
114.05521	1.7
115.03934	13.9
116.98595	8.3
117.06981	3.6
119.04858	1.8
119.08561	10.9
121.02876	9.1
121.10091	7.2
121.10916	1.8
123.04356	1.9
123.08043	3.3
125.09634	65.8
129.06996	2.8
131.08533	6.2
133.10078	6.7
134.99643	3.8
135.08073	2.6
135.11673	2.4
137.05905	3.1
137.09543	1.7
141.06938	2.9
141.09026	1.9
142.07726	4.0
143.08650	7.6
143.09541	1.9
143.10687	23.5
145.06477	2.0
145.10153	8.6
146.03606	1.7
147.08026	2.3
147.11641	5.4
154.07718	2.6
155.07047	1.8
155.08508	8.4
156.09369	1.8
157.10138	9.5
158.99657	2.9
159.11668	4.7
161.05931	2.7
161.13200	3.3
163.04359	1.7
169.06479	2.0
169.10088	4.9
171.11644	5.5
173.05959	4.7
173.09645	1.9
173.13232	2.9
175.14838	2.3
177.00671	5.3
179.14374	1.8
182.10771	2.5
183.07974	2.5
183.11623	5.1
183.60126	1.5
185.13203	2.5
187.03906	3.4
187.07529	1.6
187.14778	1.8
189.11127	4.8
196.12344	1.9
197.13199	9.1
197.15182	3.7
199.14832	10.2
201.09111	3.3
203.10623	2.9
211.14890	10.0
213.16435	2.1
219.09589	2.2
221.15266	3.0
229.04976	11.4
237.10596	3.1
239.06943	1.9
239.14352	3.7
239.16425	5.3
257.01807	3.3
257.04480	80.1
257.07999	6.0
257.13739	100.0
257.19202	15.8
257.22543	5.6
257.26645	2.4
258.04755	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	257.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.5
55.05494	1.5
57.07066	0.8
67.05492	1.5
69.07073	4.4
69.88956	2.8
71.04971	1.1
79.05488	2.2
81.03414	2.8
81.06582	0.7
81.07056	13.3
82.08782	0.5
85.19083	0.4
91.05485	3.5
93.07037	1.0
95.08601	7.9
96.36633	0.5
97.02895	0.7
98.20798	0.4
98.97559	0.5
99.08102	0.5
105.07034	1.5
107.08606	0.9
109.10159	1.3
119.08572	2.1
120.96632	100.0
121.10115	0.8
124.95841	0.5
129.07007	0.9
131.08543	5.1
137.13287	0.8
138.97639	2.2
152.04227	0.4
159.11697	0.6
161.13269	0.8
161.99261	1.1
175.14803	1.4
221.15274	0.5
239.16283	0.7
257.04724	1.2
257.09137	48.5
257.19229	1.1
257.22772	1.1
258.09549	0.7
275.08893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92204	1.0
53.03940	2.0
55.05508	36.8
56.05027	2.2
60.04504	3.0
60.78032	0.9
68.05029	7.0
69.03432	6.6
69.07034	0.9
69.46955	2.1
69.47357	8.5
79.82808	0.8
82.06561	1.3
83.04977	79.0
84.04505	5.8
84.65801	1.0
86.06080	2.0
96.03987	1.1
96.04500	12.8
97.02885	65.9
98.09689	1.2
98.20756	1.8
100.11214	1.0
110.06086	1.7
114.05527	26.2
138.05498	54.7
139.90533	0.8
156.06561	10.3
159.60350	1.0
197.08163	2.1
229.04939	1.7
246.63139	1.1
247.12830	1.4
255.63620	4.4
256.11749	100.0
256.26291	3.4
256.63571	1.3
257.04373	4.1
257.12177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2999
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
55.05505	0.7
56.96556	0.4
57.06811	0.5
57.07072	4.9
58.06596	1.1
59.86957	0.3
60.08161	18.6
67.05494	0.8
69.07061	1.2
71.04991	0.3
71.08633	2.4
71.46870	0.6
73.69627	0.4
77.32556	0.3
79.05490	0.5
81.07057	1.5
82.74629	0.3
83.08598	0.8
85.06514	0.5
85.10171	1.0
87.63732	0.3
91.05479	0.7
93.07050	1.9
95.04948	0.4
95.08604	2.0
105.07016	1.6
107.08593	2.1
109.10140	1.1
110.43224	0.3
119.08568	1.7
121.10136	2.5
123.11723	0.4
131.08577	0.9
133.10152	1.6
135.11678	1.2
137.09589	0.4
145.10109	1.4
147.11615	0.4
149.09563	0.4
149.13197	0.4
157.10098	0.4
158.10455	0.5
159.11671	1.5
159.12839	0.4
161.13228	0.8
163.11249	0.4
163.14812	0.4
167.08510	0.3
169.10110	0.4
171.11618	0.7
173.13252	0.9
183.11659	0.6
185.13269	0.7
186.13538	0.5
187.14769	1.2
197.13280	0.6
199.14793	0.6
200.15240	0.5
201.16377	0.8
208.59798	0.3
213.16345	0.4
214.16693	0.6
229.15686	0.3
239.14394	0.6
256.21445	2.8
256.26587	3.6
256.29987	100.0
257.15454	0.7
257.19009	4.0
257.22638	6.3
257.30298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.7
58.17285	0.6
59.05227	0.6
67.05498	2.1
69.07071	2.1
69.45752	4.5
79.05470	1.2
81.07060	10.4
88.50565	0.6
92.56255	0.6
95.08604	6.3
112.96662	0.6
120.96634	100.0
128.66261	0.6
137.13261	1.4
138.97659	3.0
154.39096	0.6
161.99249	1.2
165.51915	0.5
169.68658	0.6
257.09143	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	256.1178
Annotation	Rubrobramide
Peak:m/z	Relative Intensity
53.03927	1.6
55.01847	1.0
55.05511	40.4
56.05010	3.7
60.04508	3.0
61.82760	1.0
62.45898	1.2
62.59156	1.2
66.97372	1.1
67.05485	1.5
68.05029	7.5
68.24133	1.0
69.03082	1.3
69.03423	7.7
69.38670	2.0
69.39077	9.8
81.07042	1.5
81.80141	1.0
83.04979	91.8
84.04489	7.5
86.06056	1.8
93.07009	2.0
96.04498	16.7
97.02888	73.1
98.97589	1.6
110.06001	2.4
114.05528	24.4
119.04019	1.2
128.07092	1.5
128.98643	1.2
134.29414	1.0
138.05499	63.3
139.10028	1.0
155.07042	1.5
156.06525	8.6
197.08183	1.8
229.05098	1.5
236.86130	1.0
246.62917	1.0
247.12918	1.3
255.63695	6.8
256.11728	100.0
256.26385	2.7
256.63455	2.4
257.04370	4.4
257.66327	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2318
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
53.03924	3.4
55.01857	5.9
55.05509	62.6
57.03429	6.1
57.07072	75.0
58.06593	3.4
60.08151	4.9
67.05503	36.6
69.07066	100.0
71.04974	6.6
71.08630	51.6
71.59623	4.6
73.02885	2.2
73.06533	3.8
79.05479	22.9
81.07057	60.7
83.04974	9.9
83.08615	77.6
83.09112	3.8
84.09029	2.2
85.06519	7.2
85.10176	28.4
91.05459	8.0
93.07040	38.5
95.04945	2.3
95.08598	55.8
97.06516	27.5
97.10165	45.7
98.98464	17.5
99.08084	3.7
101.05988	3.1
105.07004	6.2
107.08591	35.9
109.10146	29.9
110.69482	2.1
111.04408	3.5
111.07402	3.4
111.08047	17.1
111.11683	10.8
113.09650	2.4
115.07562	7.9
119.08559	9.2
121.10134	39.0
123.11702	12.8
125.09634	17.5
125.13269	3.4
128.06204	2.2
129.09056	5.5
131.08537	4.9
133.10114	7.3
135.11678	40.6
137.13260	10.8
139.11208	17.0
141.12701	3.0
142.07794	4.6
143.08531	9.2
143.10626	4.2
145.10103	10.6
146.84079	2.4
149.13245	35.0
151.14790	3.0
153.12767	17.7
155.08548	4.1
156.09332	5.1
157.10129	12.9
157.12198	5.5
159.11667	11.0
161.13203	3.3
163.14809	25.5
167.08563	4.2
167.14307	9.4
169.10052	3.3
170.10852	2.5
171.11673	14.2
173.13220	7.4
177.16374	8.7
181.15842	8.7
183.11742	4.0
185.13258	11.2
185.15401	3.1
187.14806	2.6
195.17378	3.7
195.21098	4.3
197.13184	2.7
199.11125	2.8
199.14867	13.6
199.16525	3.2
208.99678	2.4
211.14874	5.4
213.12737	3.1
213.16316	7.0
219.21069	56.4
237.12854	3.5
237.18480	3.4
237.22136	34.0
250.17070	2.2
255.06575	3.8
255.13736	7.7
255.17715	17.6
255.21054	45.6
255.23085	2.3
255.28755	60.9
256.27463	3.1
256.29977	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	255.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.7
57.07056	1.9
67.05499	3.2
69.07070	6.4
70.44894	2.5
79.05489	1.6
81.07056	4.7
83.08613	3.2
91.05500	3.4
93.07048	4.8
95.08607	8.1
97.10163	3.3
98.20899	0.6
98.98455	1.3
105.07030	7.4
107.08598	5.7
109.10165	6.2
117.07047	1.7
119.08583	13.7
121.10134	5.1
123.11715	3.6
128.06209	1.0
129.07022	2.3
130.07796	0.9
131.08588	5.2
133.10138	7.5
135.11655	2.8
137.13214	0.6
141.06989	0.7
142.07787	2.5
143.08543	8.3
144.09319	1.1
145.10118	9.7
147.11700	5.8
147.24686	0.5
149.13275	0.8
151.61272	0.6
155.08543	1.5
156.09323	5.3
157.10130	18.1
158.10948	1.5
159.11702	16.1
161.13248	3.9
169.10136	1.4
170.10910	4.8
171.11690	20.8
173.13278	12.1
175.14865	0.9
183.11705	1.7
184.12506	3.5
185.13261	23.5
186.13890	1.0
187.14825	2.7
197.13249	1.9
198.14063	1.6
199.14830	27.4
200.15294	0.6
211.14821	1.9
212.15642	0.8
213.12843	0.6
213.16373	11.3
225.16336	1.0
226.17238	0.6
227.17928	2.0
240.18658	1.5
255.21078	100.0
256.21365	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05304	0.5
55.05516	5.3
55.94851	0.5
57.07079	1.4
60.42782	0.5
66.92738	0.5
67.05503	2.7
69.07082	5.7
70.86478	1.7
71.08646	0.6
79.05495	1.4
81.07072	4.0
83.08630	3.2
91.05480	2.7
93.07041	3.7
95.08611	7.5
97.10179	4.8
105.07034	5.9
107.08600	5.7
109.10171	5.1
111.11702	0.6
117.07027	1.8
119.07803	0.9
119.08591	12.5
121.10162	4.4
123.11729	2.4
128.06218	1.1
129.07053	2.6
131.08566	4.2
133.10127	8.0
135.11708	3.0
141.06982	0.9
142.07773	2.4
143.08554	6.3
144.09352	1.0
145.10126	9.4
147.11702	6.1
149.13277	1.7
155.08568	1.6
156.09355	5.0
157.10138	15.1
158.10855	1.5
159.11710	13.3
161.13297	4.2
163.14729	0.7
169.10130	1.2
170.10928	4.5
171.10254	1.0
171.11707	18.2
173.13266	10.5
175.14793	1.0
183.11693	0.7
184.12460	2.0
185.13275	19.8
186.14030	0.9
187.14864	2.6
197.13254	1.2
199.14842	22.0
200.15454	0.7
211.14804	2.1
212.15643	0.9
213.16400	10.1
225.16402	1.1
226.17059	0.9
227.17941	2.8
255.21089	100.0
256.21475	1.7
273.82236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.0
57.07053	3.0
60.78030	1.0
60.99784	1.1
67.05495	3.2
69.07075	9.3
69.67722	6.2
71.08624	1.5
79.05470	2.3
81.07059	6.3
83.08607	4.5
90.33378	1.0
91.05470	3.8
93.07044	5.6
95.08611	10.0
97.10170	5.0
98.98449	2.3
105.07029	7.6
107.08572	7.1
109.10162	8.5
111.11693	1.3
117.07009	1.2
119.07778	1.9
119.08573	19.0
121.10127	7.0
123.11706	2.9
129.07019	2.1
131.08557	4.7
133.10075	8.1
135.11659	4.1
137.13332	1.3
141.06995	1.4
142.07748	4.3
143.08528	10.2
145.10133	13.4
147.11719	8.1
149.13248	2.3
155.08548	1.7
156.09335	5.2
157.10146	24.5
158.10910	1.7
159.11687	19.7
161.13258	4.6
164.98444	1.1
165.07266	1.0
169.10120	1.7
170.10855	6.2
171.11679	27.6
173.13258	14.2
175.14899	2.0
183.11620	1.6
184.12434	3.8
185.13263	34.4
186.13918	1.2
187.14807	3.0
195.06680	1.2
197.13293	3.5
199.14818	40.0
211.14827	3.2
212.15620	1.8
213.16364	14.8
226.17134	1.4
227.17882	3.9
239.41304	1.0
240.18619	2.0
255.03999	1.5
255.06535	2.7
255.17564	3.0
255.21072	100.0
256.21341	3.2
256.26328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05311	0.5
55.05513	6.3
57.07086	4.0
67.05500	3.7
69.06736	0.5
69.07075	6.2
71.08631	1.6
71.60774	0.9
79.05492	2.1
81.07058	7.5
83.08610	3.3
83.37572	0.5
85.06546	0.7
85.10208	0.8
85.81020	0.4
91.05467	2.2
93.05614	0.5
93.07034	5.0
95.08610	10.2
97.10184	2.8
98.98469	3.7
105.07038	9.2
107.08605	5.6
109.10158	5.8
111.11736	0.6
111.71572	0.5
117.07021	1.9
119.08588	12.4
119.09443	0.8
121.10136	5.9
123.11712	2.0
128.06262	0.6
129.06989	2.0
131.08580	3.6
133.10135	10.8
133.11084	0.9
135.11729	3.3
139.11131	0.5
141.06992	1.4
142.07779	2.6
143.08562	9.9
144.09331	1.9
145.10123	9.7
147.11681	7.2
149.13243	1.4
155.08507	2.5
156.09366	4.7
157.10135	19.6
158.10794	1.7
159.11697	15.9
161.13237	4.7
163.14760	0.5
167.08617	0.8
169.10118	1.5
170.10905	4.3
171.11694	22.2
173.13272	10.2
175.14822	1.6
181.10114	1.1
182.10909	0.7
183.11716	2.4
184.12517	3.0
185.09698	1.7
185.13266	28.3
186.13997	1.2
187.14890	2.9
195.11600	1.0
197.13283	2.7
198.14018	1.1
199.11143	1.2
199.14833	21.9
200.15361	1.2
211.14824	3.4
212.15521	1.2
213.12714	2.3
213.16394	13.8
214.21687	4.3
219.21162	0.6
225.16426	1.1
226.17154	1.3
227.17969	6.1
237.16357	1.6
240.18764	0.9
255.17516	6.3
255.21086	100.0
256.21469	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	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74362	0.6
51.09966	0.6
53.69928	0.7
55.05516	5.4
57.07063	1.3
64.97030	0.7
67.05512	3.3
69.07070	4.4
70.54404	2.4
70.66233	0.5
71.95512	0.6
79.05497	1.5
81.07050	3.7
83.08621	1.9
88.72769	0.6
91.05491	2.4
93.07078	3.3
95.08609	7.3
97.10178	3.9
98.98500	0.9
105.07038	7.0
107.08593	4.8
109.10171	5.4
110.80325	0.6
111.11703	1.3
117.07002	2.1
119.08592	13.1
121.10130	4.4
123.11710	2.6
128.06209	1.0
129.06995	2.1
131.08582	3.9
133.10133	7.1
135.11720	2.8
142.07767	3.4
143.08569	7.4
144.09363	1.2
145.10146	7.3
147.10823	0.6
147.11720	6.6
149.13222	0.9
155.08556	1.1
156.09372	3.9
157.10141	16.0
158.10887	1.8
159.11707	14.4
161.13272	4.4
169.10104	1.1
170.10889	5.1
171.10249	1.2
171.11700	20.6
172.12358	0.7
173.13263	11.4
175.14937	0.9
183.11697	0.9
184.12517	4.0
185.13275	24.4
186.13864	0.8
187.14767	3.5
197.13255	1.8
198.13939	1.1
199.14833	27.0
208.13539	0.7
211.14815	1.8
213.16402	10.1
225.16258	1.3
226.17137	0.7
227.17949	2.2
255.21097	100.0
256.21457	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05261	0.4
55.05507	3.6
57.07071	1.5
57.08128	0.2
62.85091	0.2
67.05499	2.9
69.06718	0.4
69.07065	3.9
69.53502	1.4
69.53918	0.5
71.08604	0.5
78.38965	0.2
79.05500	2.4
81.07053	4.7
83.08613	2.2
91.05474	3.0
93.07044	4.7
95.04962	0.4
95.08604	7.3
97.10175	1.9
98.20434	0.2
98.98421	0.8
105.06305	0.3
105.07029	6.9
107.08591	7.7
109.10148	4.6
111.11717	0.6
115.05405	0.3
117.07011	1.3
119.08573	11.2
121.10134	4.7
123.11715	1.9
128.06204	1.1
129.07001	3.8
130.07828	0.3
131.08582	3.9
133.10130	6.7
135.11682	3.1
141.06987	0.7
142.07787	2.5
143.08560	8.2
144.09344	1.4
145.10112	8.5
147.11676	7.1
149.13298	1.5
153.07082	0.4
155.08539	1.3
156.09348	3.8
157.10121	14.2
158.10817	1.2
159.11685	10.8
161.01230	0.4
161.13242	4.2
163.14841	0.3
169.10115	1.9
170.10886	3.2
171.11682	18.0
172.12268	0.3
173.13255	7.0
175.14796	1.0
178.41481	0.3
183.11664	2.2
184.12474	1.6
185.09651	0.8
185.13258	17.1
186.13947	1.1
187.14807	1.9
195.11668	0.4
196.12421	0.4
197.13240	2.1
198.14011	1.0
199.14812	19.5
200.15486	0.5
201.16376	0.5
211.14836	2.1
212.15601	1.0
213.16377	9.2
214.16913	0.3
225.16386	0.6
226.17152	1.5
227.17931	4.1
240.18739	0.7
255.21066	100.0
256.21463	1.9
263.86432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05516	8.1
56.00679	0.6
57.07076	2.1
67.05509	3.6
69.07072	8.2
69.07417	1.0
70.12817	2.2
71.08637	0.7
73.53037	0.6
79.05491	2.5
79.26742	0.6
81.07055	6.3
83.08624	5.5
91.05470	4.6
93.07047	5.8
95.08604	8.5
97.10194	5.5
98.98466	0.8
105.07024	9.6
105.11189	0.6
107.08585	6.4
109.10148	4.9
111.11712	0.7
115.05418	0.8
117.07030	2.8
119.08589	17.3
121.10174	4.8
123.11708	3.3
128.06233	2.4
129.07013	5.6
130.07751	1.5
131.08580	9.0
133.10139	9.7
135.11679	3.2
135.78214	0.6
140.65468	0.7
141.06998	2.1
142.07793	10.7
143.08563	22.2
144.09314	2.8
145.10132	18.9
147.11699	8.8
149.13281	1.2
152.06175	0.7
153.07030	1.0
154.07782	0.9
155.08563	37.7
155.46046	0.6
156.09355	12.7
157.10138	63.0
158.10811	2.8
159.11697	74.7
160.12079	0.8
161.13252	5.3
165.06995	2.8
166.07813	1.8
167.08575	4.0
168.09290	1.1
169.10139	12.5
170.10934	9.2
171.11696	65.7
172.12196	2.6
173.09697	0.9
173.13277	16.6
179.08553	2.7
180.09277	1.7
181.10130	26.8
182.10864	3.6
183.11687	14.0
184.12500	5.5
185.13271	34.1
186.13907	1.4
187.14807	2.1
193.10143	3.4
194.10901	2.4
195.11714	15.9
196.12500	9.2
197.13255	4.5
198.14023	2.3
199.11147	2.4
199.14839	28.0
207.11714	4.1
208.12442	2.4
209.13260	15.4
210.13593	1.1
211.14828	46.4
212.15385	2.6
213.16394	59.3
214.16769	2.1
222.14056	4.4
225.16376	0.9
226.17130	1.1
227.17944	21.8
237.16391	41.2
238.16666	1.0
240.18915	0.9
255.17484	64.7
255.21095	100.0
256.17792	2.4
256.21460	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.2
57.07063	1.7
60.08158	1.5
67.05488	2.4
69.07076	5.6
69.69499	3.9
71.08620	0.6
77.81348	0.5
79.05476	1.7
79.18378	0.6
81.07063	4.0
83.08625	3.0
91.05476	2.7
93.07044	3.4
95.08606	7.8
97.10178	3.7
98.74625	0.6
98.98452	1.8
105.07035	6.7
107.08609	5.8
109.10165	5.3
111.08166	0.7
111.11715	0.7
117.06985	1.5
119.07790	1.0
119.08581	11.2
121.10145	5.4
123.05562	0.6
123.11717	2.9
128.06247	0.9
129.07010	1.4
130.07805	1.0
130.95366	0.5
131.08553	4.6
133.10144	7.9
135.11687	2.6
142.07771	1.9
143.08554	7.1
144.09361	0.9
145.10126	8.0
147.11694	6.0
149.13213	0.7
155.08565	1.5
156.09344	4.3
157.10136	16.0
158.10930	1.8
159.11697	14.7
161.13268	4.3
169.10115	1.3
170.10916	5.8
171.11690	23.8
172.12410	0.6
173.13272	11.5
175.14821	1.5
183.11720	1.9
184.12460	4.1
185.13257	24.9
186.13890	1.2
187.14824	3.4
197.13258	1.9
198.13872	0.7
199.14832	25.9
200.15373	0.8
211.14827	1.9
212.15506	1.1
213.16406	11.4
225.16377	1.1
226.17186	0.7
227.17976	3.3
240.18709	1.1
255.21088	100.0
256.21478	2.9
256.30023	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	255.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.5
56.05830	0.7
57.07070	3.3
58.06588	2.0
59.06913	0.7
60.29737	0.5
61.43757	0.5
64.72365	0.6
67.05499	2.7
67.84625	0.6
69.07067	9.9
70.07387	1.5
70.32882	2.1
71.08632	0.9
72.27491	0.5
79.05458	0.8
81.07034	4.0
83.08623	5.0
84.08960	0.8
87.21316	0.6
91.05482	2.1
93.07044	2.7
95.08616	6.2
97.10173	7.0
98.10493	0.7
98.98485	1.4
105.07022	6.2
107.08583	5.2
109.10176	4.4
111.11697	1.7
117.07013	1.7
119.08574	9.2
121.10165	3.0
123.11688	2.0
128.06218	1.1
129.06993	1.0
131.08604	2.8
133.10114	7.4
135.11697	1.8
142.07765	2.2
143.08568	7.0
144.09271	1.3
145.10117	10.4
147.11696	5.1
149.13223	1.0
155.08548	1.0
156.09328	4.4
157.10133	16.3
158.10896	1.3
159.11688	13.3
161.13252	3.3
163.14717	0.6
169.10124	2.1
170.10872	6.5
171.11682	22.2
172.12288	0.7
173.13261	8.0
175.14883	0.7
183.11673	1.7
184.12465	5.2
185.13252	28.3
186.13882	1.1
187.14763	3.2
197.13283	1.6
198.14021	1.5
199.14812	23.3
211.14796	2.9
212.15572	1.1
213.16362	10.4
225.16382	2.4
226.17139	2.5
227.17857	1.4
240.18745	1.4
255.21078	100.0
255.28743	30.3
256.21277	2.8
271.21811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.5
57.07073	1.8
59.40304	0.3
61.58534	0.3
63.23320	0.3
67.05238	0.3
67.05511	3.2
69.03381	0.3
69.07073	5.7
70.45149	0.9
70.45483	0.3
79.05487	2.1
81.07057	6.0
83.08618	3.0
91.05478	2.5
93.07047	4.1
94.97240	0.3
95.04974	0.5
95.08607	8.5
95.73083	0.3
97.10172	3.2
98.20830	0.4
98.98471	0.6
102.60601	0.3
105.07037	7.6
107.08597	6.8
108.52999	0.3
109.10155	6.2
111.11715	0.7
113.33102	0.3
117.07036	1.5
119.08586	13.3
121.09317	0.4
121.10148	5.5
123.08086	0.3
123.11711	2.7
128.06226	0.9
129.07027	1.9
130.07828	0.4
131.08574	3.7
133.10133	10.4
135.11703	3.1
137.13258	0.4
141.06964	0.9
142.07779	3.1
143.07484	0.6
143.08560	9.2
144.09302	1.3
145.10129	9.4
147.10532	0.3
147.11687	7.7
149.13278	1.5
155.08539	1.6
156.09337	6.0
157.10133	17.6
158.10933	1.4
159.11700	14.9
161.13269	4.6
163.14818	0.6
169.10129	1.2
170.10912	4.6
171.11691	23.3
172.12250	0.9
173.13260	9.4
174.13875	0.3
175.14824	1.9
181.10043	0.4
183.11693	1.8
184.12483	2.3
185.13266	25.2
186.13966	1.0
187.14838	3.1
196.12419	0.5
197.13277	2.2
198.13943	0.6
199.11086	1.1
199.14825	22.9
200.15550	0.6
211.14809	2.8
212.15636	1.3
213.12959	2.2
213.16385	12.2
214.16782	0.4
225.12756	0.5
225.16385	1.1
226.17171	1.1
227.17928	4.4
229.48769	0.3
237.16281	0.3
240.15100	0.4
240.18697	1.1
255.17523	3.2
255.21085	100.0
256.21472	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05300	0.6
55.05508	6.5
57.03421	0.9
57.07082	3.4
67.05491	2.5
68.93123	0.7
69.07069	8.2
70.95935	1.3
70.96282	1.0
71.04958	0.8
71.08625	1.1
77.72550	0.7
79.05476	3.0
81.07057	5.8
83.08604	4.5
85.10177	0.9
91.05470	3.0
93.07052	4.6
95.04987	0.8
95.08608	7.4
97.10159	5.1
98.98463	6.2
105.07025	7.5
107.08597	5.8
109.10154	5.1
111.11739	1.0
112.78712	0.7
117.07011	0.8
119.08572	9.6
121.10144	5.4
123.11703	2.2
128.06194	1.1
129.06992	2.3
130.07741	1.1
131.08607	4.7
131.62990	0.7
133.10138	8.4
135.11633	3.8
141.06992	0.9
142.07814	3.3
143.08569	9.9
144.09277	1.1
145.09042	1.1
145.10121	14.6
147.11670	7.2
149.13258	1.4
153.12683	0.7
155.08556	3.9
156.09340	5.3
157.10120	19.7
159.08095	0.7
159.11687	16.5
161.13251	3.6
165.06918	0.8
167.08521	1.3
169.10136	3.2
170.10927	5.8
171.11693	22.8
172.12125	0.7
173.13268	8.1
175.14818	0.9
179.08578	0.7
181.10098	2.6
183.11678	2.5
184.12402	3.1
185.09628	0.9
185.13258	27.6
187.14769	3.1
195.11716	1.4
196.12434	1.1
197.13278	2.7
198.14005	1.9
199.11116	1.6
199.14828	20.3
206.47252	0.7
209.11562	1.2
209.13309	2.2
211.14886	6.0
212.15533	1.2
213.12827	0.8
213.16380	14.1
225.16414	1.4
227.17958	5.1
233.72809	0.8
237.12778	0.8
237.16380	2.8
237.18507	1.2
240.18765	1.5
255.13885	3.5
255.17656	11.9
255.21078	100.0
255.28697	2.5
256.21365	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	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.1
57.07065	2.1
61.83814	0.7
67.05501	2.5
69.07075	7.7
71.08633	1.6
71.60906	1.1
78.47578	0.6
79.05495	1.7
81.07056	6.3
83.08631	4.7
88.85249	0.7
91.05478	2.3
93.07042	4.6
95.08608	7.5
97.10175	5.0
98.98454	4.1
105.07043	6.8
107.08597	7.2
109.10149	5.3
111.11699	1.3
112.34190	0.6
115.57499	0.7
117.07001	1.3
117.96806	0.6
119.08575	11.6
121.10160	4.1
123.11729	2.7
128.06221	0.9
129.07011	1.9
130.07742	0.9
131.08569	3.8
133.10130	8.5
135.11693	2.7
137.13211	0.9
141.06999	0.9
142.07773	1.9
143.08565	7.9
144.09323	1.2
145.10126	9.4
147.11682	5.5
149.13248	2.2
155.08530	2.6
156.09370	5.4
157.10130	18.5
158.10869	2.0
159.11707	16.9
161.13261	5.2
163.14818	1.0
169.10144	2.2
170.10922	6.1
171.11688	23.6
173.13266	12.2
175.14815	1.4
183.11671	1.9
184.12462	2.7
185.09691	0.9
185.13258	25.1
186.13989	1.0
187.14819	2.4
195.11711	0.9
197.13289	1.6
198.14088	1.0
199.14833	26.3
211.14848	2.4
212.15527	1.1
213.16376	10.2
225.16409	1.0
226.17070	0.9
227.17952	3.5
237.16458	1.6
240.18898	1.0
255.06323	0.7
255.17673	3.4
255.21086	100.0
256.21390	2.2
256.26337	1.3
276.66287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1743
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
51.36313	1.0
55.01856	1.2
55.05503	1.7
56.96556	1.1
57.07076	2.5
67.05490	2.9
69.03422	3.5
69.07059	3.9
71.04990	2.4
71.26916	2.3
79.05492	3.9
81.03417	3.1
81.07059	4.4
83.04991	6.0
83.08601	1.2
85.02930	1.2
91.05472	5.9
93.07047	14.2
95.04969	1.6
95.08608	4.6
97.06538	4.5
98.98482	6.1
99.04453	1.8
105.07050	8.1
107.04957	2.0
107.08573	5.7
109.02895	1.5
109.06509	7.1
109.10161	2.0
111.04468	5.9
111.08041	1.4
117.07009	2.2
119.08585	11.1
121.06533	1.6
121.10155	4.2
123.08084	1.7
127.03960	1.9
128.06209	1.7
129.06993	2.5
131.08545	3.9
133.06540	4.1
133.10117	7.1
135.08055	9.4
135.11702	1.7
137.09679	1.1
141.07005	3.4
142.07787	4.7
143.08568	11.0
145.10149	4.9
147.11678	1.4
149.09621	2.3
153.06956	1.0
154.07829	1.3
155.08539	9.0
156.09378	5.8
157.10129	13.6
159.08080	1.4
159.11661	4.2
161.09587	2.0
163.11189	1.2
165.07095	2.0
167.07182	1.6
167.08525	6.9
168.09340	1.0
169.10133	16.6
170.10886	2.7
171.11697	14.3
173.13271	1.9
179.08517	1.9
180.09335	1.3
181.10147	6.5
182.10919	11.4
183.11699	6.4
184.12532	1.4
185.09576	2.0
185.13252	8.5
187.11212	1.3
193.10176	2.0
194.10907	1.8
195.11743	9.7
196.12491	6.1
197.13269	46.4
198.14029	2.9
199.11143	8.6
199.14912	3.0
207.11708	3.2
208.12485	1.6
209.13289	5.6
211.14807	23.5
211.16731	1.7
212.15579	5.0
213.12885	5.3
213.16374	23.1
222.14047	5.6
227.06924	1.0
227.14304	1.2
227.17955	2.4
237.02864	1.1
237.12823	1.8
237.16406	13.6
240.15085	2.2
255.06467	1.6
255.08806	1.8
255.17450	100.0
255.21021	6.9
256.17780	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01860	0.9
55.05264	0.7
55.05516	9.7
57.07081	4.0
60.08148	0.7
67.05506	4.1
69.07065	8.3
71.08635	1.1
71.33771	1.5
79.05507	3.4
81.07060	5.7
83.04942	1.5
83.08641	4.8
91.05494	3.1
93.07043	5.5
95.08617	8.0
97.06542	1.4
97.10161	5.0
98.98469	4.4
101.06006	0.7
104.23669	0.7
105.07027	8.1
107.08603	5.7
109.10154	4.2
111.08100	0.6
111.11731	1.0
115.05433	1.2
117.07013	2.5
119.08597	10.6
121.10168	3.8
122.99494	0.6
123.11702	2.3
128.06213	2.4
129.07005	6.8
130.07825	0.8
131.08589	7.9
133.10127	6.8
135.08043	0.7
135.11711	3.4
137.13283	1.0
141.06973	1.9
142.07779	10.1
143.07487	1.2
143.08566	19.8
144.09315	2.4
145.10133	16.6
147.11707	4.7
149.13245	1.2
153.07040	1.9
154.07736	0.8
155.08563	35.0
156.09369	11.9
157.10136	55.0
158.10704	1.8
159.11703	63.6
160.12035	1.4
161.09537	0.9
161.13287	3.3
165.06976	3.1
166.07719	2.0
167.08598	4.4
168.09360	1.3
169.10147	11.9
170.10913	9.5
171.11697	55.6
172.12126	1.7
173.13272	12.7
175.14818	0.8
179.08597	2.8
180.09364	2.0
181.10138	20.3
182.10934	3.9
183.11711	13.2
184.12526	5.0
185.09650	2.7
185.13271	35.8
186.13930	1.0
187.14819	2.4
193.10184	3.3
194.10919	2.1
195.11713	13.6
196.12477	8.4
197.13290	5.1
198.14040	2.6
199.11206	2.0
199.14819	24.9
207.11688	3.3
208.12492	1.6
209.11644	0.9
209.13290	13.0
211.14821	40.4
212.15364	2.6
213.13040	1.3
213.16393	45.2
214.16791	2.6
222.14043	3.3
225.12807	0.6
225.16354	2.2
226.17180	1.2
227.17946	18.6
237.16394	30.9
238.16661	1.5
240.18735	1.2
255.06523	1.1
255.17464	47.9
255.21077	100.0
256.17722	2.7
256.21591	3.1
256.29977	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	255.1745
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
50.80423	1.2
53.18050	1.1
54.76728	1.1
55.05502	5.0
61.94964	1.1
67.05499	2.8
69.07070	8.9
70.85806	2.3
79.05527	1.3
81.07044	3.8
83.08602	2.0
91.05484	1.7
93.07032	3.7
94.04044	1.3
95.08593	3.8
98.98467	2.3
100.45277	1.2
105.07014	4.8
107.08605	1.6
109.10146	1.7
117.07024	2.9
119.08581	4.2
121.10136	1.6
123.11691	1.2
128.06227	3.1
129.07034	6.6
130.07762	2.5
131.08563	10.4
133.10106	2.1
141.06989	3.9
142.07774	15.3
143.08563	27.3
144.09312	3.5
145.10143	14.1
154.07768	1.7
155.08554	68.1
156.09355	14.3
157.10132	84.2
158.10719	1.5
159.11697	100.0
165.07030	3.7
166.07797	3.4
167.08539	8.7
168.09377	2.8
169.10147	16.8
170.10863	4.1
171.11693	76.3
173.13310	8.7
179.08513	5.8
180.09349	4.9
181.10130	43.4
182.10884	4.6
183.11707	23.3
184.12161	1.2
185.09659	2.6
185.13283	19.9
193.10138	5.2
194.10913	4.7
195.11700	30.5
196.12495	16.5
197.13264	4.8
198.14081	2.0
199.11226	2.8
199.14859	4.7
207.11613	6.2
207.60857	1.1
208.12459	2.9
209.11444	2.3
209.13269	25.0
211.14827	72.0
212.15309	1.6
213.16380	78.4
222.14156	6.9
222.58125	1.2
227.17944	29.6
237.16399	74.6
255.17445	96.5
255.21056	18.1
256.17758	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.7
57.07070	2.7
61.48553	0.8
67.05504	4.1
69.07074	9.7
70.46478	2.6
71.08642	0.9
77.47747	0.7
79.05488	2.5
81.07052	4.8
82.94494	0.7
83.08609	3.6
83.85590	0.9
87.25567	0.7
91.04977	0.9
91.05485	3.5
93.07043	4.7
95.08609	8.2
97.10186	5.6
105.07036	10.5
107.08591	6.5
109.10152	6.8
111.11703	1.3
115.05463	1.8
117.07010	3.4
119.08587	17.7
121.10149	5.8
123.11690	3.1
128.06206	4.1
129.07014	7.0
130.07797	1.7
131.08574	9.6
133.10138	9.9
135.11687	1.6
141.06996	3.4
142.07784	11.9
143.08562	26.6
144.09325	3.5
145.10117	20.0
147.11690	7.2
149.13257	2.0
153.06992	1.9
154.07837	1.5
155.08557	55.6
156.09355	14.5
157.10130	83.0
158.10889	2.7
159.11694	100.0
161.13252	3.8
165.07005	3.3
166.07813	3.6
167.08551	5.7
168.09392	2.0
169.10123	16.4
170.10890	8.9
171.11691	81.1
172.12039	1.8
173.13260	17.1
179.08534	5.0
180.09367	3.3
181.10127	30.3
182.10971	3.9
183.11681	17.6
184.12460	4.5
185.09671	1.7
185.13254	34.2
186.13770	0.8
187.14815	2.2
188.75356	0.8
193.10138	3.4
194.10948	2.9
195.11700	25.9
196.12494	14.2
197.13219	5.2
198.14049	2.1
199.11119	1.8
199.14828	29.0
207.11679	6.3
208.12469	1.5
209.13255	20.3
211.14821	61.0
212.15366	1.7
213.16383	78.8
221.13297	0.8
222.14014	4.9
225.16367	1.5
226.17189	1.3
227.17932	28.7
231.36339	0.8
237.16373	56.7
240.18834	0.9
255.17459	80.3
255.21083	95.8
256.17612	1.1
256.21619	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1744
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.43468	0.7
55.05507	4.3
57.07063	2.7
67.05493	2.5
69.07066	6.2
69.32448	8.7
79.05492	3.8
81.07069	3.8
83.04980	0.8
83.08617	2.2
85.06534	1.1
91.05461	2.6
93.07035	3.0
95.08594	2.2
96.14428	0.8
97.06515	1.3
98.20712	1.7
98.98466	2.2
105.07037	6.7
107.04940	0.9
107.08580	1.4
109.10138	1.3
115.05436	1.8
117.07009	2.6
119.08555	3.5
121.06504	1.2
121.10172	1.2
123.08062	0.8
125.09746	0.8
128.06201	2.8
129.07014	7.2
130.07755	1.3
131.08571	6.5
133.10117	1.5
135.08037	1.0
141.06976	2.7
142.07768	13.7
143.08565	26.7
144.09346	3.7
145.10130	11.1
147.11778	0.8
153.07028	1.7
154.07742	1.6
155.08556	62.4
156.09354	15.0
157.10130	76.0
158.10779	1.4
159.11693	100.0
160.12013	1.1
161.09355	0.9
165.07033	5.3
166.07799	2.8
167.08575	6.9
168.09340	1.9
169.10127	16.8
170.10948	4.3
171.11684	71.2
172.12080	0.8
173.13266	8.5
179.08562	4.0
180.09344	4.1
181.10117	39.4
182.10840	4.6
183.11685	20.2
184.12534	1.2
185.09607	1.9
185.13280	14.9
193.10132	3.3
194.10806	3.9
195.09897	1.4
195.11694	26.1
196.12485	15.8
197.13211	3.9
198.13968	1.2
199.11220	2.5
199.14832	2.1
205.30205	0.9
207.11671	6.0
208.12375	1.7
209.13257	24.9
211.14819	73.8
212.15446	1.0
213.13026	1.9
213.16382	73.3
214.16652	1.0
219.13943	0.9
222.14003	5.4
225.12720	0.8
227.17941	28.0
237.16405	67.6
255.17441	99.2
256.17743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1741
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03943	0.8
55.05497	4.8
57.07064	1.9
58.21532	0.8
67.05492	2.5
69.03436	3.9
69.07056	4.9
71.04979	1.4
79.05495	1.3
81.03394	2.9
81.07046	3.6
83.04976	5.4
83.08604	1.6
83.32059	0.7
85.06516	1.0
88.72487	0.8
91.05463	2.4
93.07054	1.9
95.04981	1.2
95.08585	2.3
97.02868	1.6
97.06534	0.9
98.20798	1.8
99.04447	1.3
105.07021	5.8
107.08595	0.9
109.02889	0.9
109.06549	0.8
111.04446	6.2
115.05455	1.6
117.06983	2.6
119.08531	3.7
121.06506	0.7
121.10130	1.1
127.03874	2.4
128.06215	2.9
129.07005	4.8
130.07756	1.7
131.08565	7.2
133.10098	0.7
135.11710	0.9
141.06998	2.2
142.07767	14.1
143.08546	23.3
144.09361	3.8
145.10117	13.9
153.07001	2.0
154.07768	1.5
155.08546	62.7
156.09349	13.1
157.10121	76.8
158.07225	0.9
158.10904	1.1
159.11679	100.0
160.12080	0.9
165.05777	0.8
165.06943	3.9
166.07768	3.0
167.08524	6.8
168.09279	1.3
169.10123	19.4
170.10916	4.5
171.08055	2.0
171.11676	72.9
173.11946	0.9
173.13255	9.0
179.08568	4.6
180.09248	3.6
181.10104	37.8
182.10870	5.9
183.11693	21.6
184.12430	2.0
185.09665	1.6
185.11600	1.2
185.13251	17.2
193.10162	4.4
194.10867	5.0
195.11681	28.1
196.12460	17.6
197.13234	5.1
198.13982	1.9
199.11154	2.1
199.14818	2.3
207.11639	4.8
208.12466	2.4
209.13252	25.3
211.14810	73.4
212.15399	1.1
213.16365	72.9
222.13965	5.9
225.16194	1.0
227.15686	1.5
227.17928	30.6
237.16368	67.8
255.08521	2.0
255.17426	91.5
256.17667	1.5
266.29413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43993	2.5
53.03931	10.2
55.01861	4.6
55.05262	3.7
55.05509	50.3
56.96565	2.7
57.07072	5.1
59.04973	7.0
66.35062	2.2
67.05502	54.3
69.03403	3.3
69.07061	13.2
71.04996	35.5
71.08631	3.7
71.58311	5.1
72.97856	2.4
76.16229	2.6
77.64120	2.4
78.59051	2.4
79.05487	48.9
81.03411	5.2
81.07056	46.8
83.04980	41.1
83.08604	7.3
85.02885	4.5
85.06533	10.4
87.04458	8.7
91.05473	54.5
93.07043	100.0
93.07628	6.1
95.04975	20.0
95.08609	26.3
97.06510	13.4
97.10125	3.9
98.98464	12.2
99.04514	3.5
99.08028	2.8
101.06012	48.3
102.87923	2.3
105.04509	3.2
105.07024	31.6
107.04928	6.2
107.08591	24.4
109.06504	10.4
109.10162	18.5
110.94252	2.4
111.04441	38.8
111.08077	8.2
113.06015	3.7
116.98638	2.8
117.06995	27.1
119.08574	26.5
121.06527	6.4
121.10120	11.3
123.08051	7.8
124.03912	2.7
125.05986	4.0
125.09642	3.7
127.07558	3.9
129.05495	30.7
129.06978	12.3
131.08562	42.8
133.06468	4.4
133.10123	10.7
134.99646	2.8
135.08046	10.9
135.11658	4.5
137.05931	2.6
137.09619	5.0
139.07524	5.2
141.06979	5.5
143.08586	3.9
145.10107	14.6
147.06522	14.0
147.08017	4.2
147.11633	6.5
149.09608	11.3
149.13211	3.2
151.03893	2.6
151.07545	6.3
153.09113	4.1
155.07024	3.5
155.08488	4.6
157.10104	14.0
159.08058	4.6
159.11690	15.9
161.13316	6.5
163.11179	2.8
167.10704	3.1
169.08640	3.1
171.11607	4.7
173.09619	4.2
173.13232	33.1
177.12782	3.6
183.11670	11.0
185.13205	2.7
189.12804	4.1
191.14345	6.6
199.14818	3.0
201.12769	18.8
219.13805	13.2
219.17390	3.8
237.14867	16.9
237.18462	3.0
255.10085	3.6
255.15781	5.8
255.21217	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01870	10.1
55.05497	5.3
57.07069	1.8
65.03941	1.3
66.66594	1.1
66.81784	1.2
67.05500	8.5
69.03418	2.4
69.07063	5.8
70.47488	3.8
71.04984	8.2
73.02905	5.1
79.05495	8.5
81.03415	1.6
81.07056	39.6
83.04980	21.3
83.08619	1.4
85.02880	4.7
85.06551	1.7
91.05471	10.5
93.07040	28.3
95.04953	3.3
95.08606	14.3
97.06509	3.0
98.98463	2.8
99.04459	6.5
101.02378	12.1
103.31907	1.2
105.07024	27.2
107.08627	8.0
109.06514	3.0
109.10147	5.7
110.43034	1.2
111.04440	64.1
113.06009	3.9
115.05418	1.8
117.07003	9.9
119.08575	73.5
121.06496	2.9
121.10143	100.0
123.08083	2.1
125.05955	1.9
127.03898	2.2
128.27380	1.1
129.05457	5.3
129.06982	2.0
131.08568	17.0
133.06479	1.5
133.10133	17.3
135.08080	2.2
135.11700	4.9
137.09749	1.5
137.13260	14.7
141.06931	1.5
142.07768	4.0
143.08563	7.1
144.09340	2.3
145.10199	6.1
147.08040	2.8
147.11659	1.5
149.09552	3.6
155.08553	6.9
157.10120	38.6
159.08109	7.3
159.11690	65.4
161.09625	10.6
163.07518	2.9
167.08563	1.8
168.09343	4.0
169.10190	2.2
171.11646	2.7
173.13242	11.2
177.09117	14.9
177.12772	8.3
179.10655	16.0
183.11693	32.8
184.27696	1.7
191.14310	2.5
192.99701	1.3
197.13249	2.3
199.11168	1.6
201.12759	27.6
211.14905	4.3
213.16289	1.5
219.13799	66.9
220.14186	1.3
237.14723	7.5
255.08508	3.5
255.17574	9.0
255.21136	3.9
279.52695	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01874	3.2
55.05515	13.6
56.96558	2.5
57.03416	2.2
57.07068	6.3
59.04998	5.0
61.80253	1.5
65.03932	2.1
66.77971	1.3
67.05505	22.1
68.99781	1.6
69.03428	23.8
69.07069	14.8
71.04993	9.8
71.08635	1.9
71.29543	1.8
72.01721	1.5
79.05492	25.1
79.64156	1.3
81.03427	1.6
81.07058	100.0
83.04982	6.9
83.08617	5.9
84.08136	1.9
85.02885	1.9
85.06545	8.8
85.10210	1.6
87.00835	5.8
91.05481	16.7
93.07046	36.7
94.78218	1.2
95.04979	16.2
95.08041	2.7
95.08604	31.2
97.02907	2.2
97.06531	5.8
97.10160	1.3
98.98466	11.9
99.04460	1.5
101.06011	6.1
105.07040	40.2
107.04963	1.8
107.07874	2.0
107.08596	34.4
109.06527	28.8
109.10157	26.4
110.07146	1.4
110.10511	1.8
111.04478	7.0
111.08069	4.0
113.06006	2.5
115.05479	1.7
116.98637	1.5
117.07018	4.3
119.08622	3.5
120.08121	1.8
121.06528	3.4
121.10147	7.7
123.05563	2.0
123.08057	6.0
123.11708	28.6
125.09625	3.7
129.05504	4.6
131.08554	11.4
133.10133	47.7
135.08058	3.5
135.11757	1.8
139.07591	1.7
145.10126	2.3
147.06485	2.1
149.09615	3.7
149.13309	1.8
151.11191	30.1
153.09137	2.2
157.10118	2.8
159.11696	2.1
169.12138	1.9
171.13625	1.7
173.13226	11.6
177.09146	1.9
201.12764	3.3
203.07578	12.7
203.57791	2.4
212.08092	2.3
219.13829	6.4
223.58859	2.0
237.11172	1.8
237.14943	2.9
255.12186	1.8
255.21053	3.7
261.10202	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.3
55.01874	2.4
55.05498	0.4
55.70946	0.3
56.96557	0.6
57.03181	0.5
57.03436	5.8
59.04997	0.4
60.08165	0.4
60.48527	0.3
61.02940	0.7
64.77116	0.3
67.05502	0.4
69.03429	2.9
70.06580	0.3
70.77717	0.5
70.78065	0.5
71.01321	0.8
71.59252	0.3
72.08145	0.4
73.02915	2.5
75.67752	0.3
78.03452	1.2
80.05018	2.1
81.03395	0.4
85.02901	3.8
86.09704	3.5
87.04486	0.5
96.04448	0.4
97.02888	2.8
98.97582	0.5
101.00848	0.8
103.03999	0.6
106.02920	6.1
110.07162	1.5
115.03934	2.2
118.03558	0.4
119.01913	4.8
122.15932	0.4
123.05548	100.0
124.05856	0.4
127.03863	0.8
131.01906	0.5
133.04959	3.3
136.23030	0.3
137.02953	1.1
143.01932	0.8
145.04927	0.5
155.01860	0.4
156.07747	0.6
157.03523	0.5
161.03008	0.8
165.03983	0.4
172.04584	0.4
173.03008	0.8
174.04451	2.6
174.54657	0.4
183.05025	1.6
185.02946	1.0
186.09741	1.8
194.55801	0.4
199.04472	0.4
204.10846	0.7
209.03107	0.4
214.09261	1.8
227.04016	0.9
232.10315	7.4
239.03972	0.6
245.05081	1.1
251.04245	0.4
255.03986	0.4
255.09688	0.9
255.12053	0.6
255.14920	0.5
269.05118	0.6
273.13080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45829	0.4
55.01878	2.4
56.96565	3.1
57.03439	3.6
59.05001	0.6
60.08164	0.7
61.02921	0.9
69.03427	2.6
69.07069	1.1
69.87108	2.7
70.98064	0.5
71.01341	0.7
73.02916	2.6
77.03848	0.5
78.03445	0.9
80.05004	1.7
81.07066	0.6
84.08166	0.8
85.02912	2.3
86.09707	11.8
96.04514	0.7
97.02879	1.8
97.06516	1.3
98.20776	0.6
98.97559	1.3
98.98489	1.1
99.75331	0.5
101.00855	1.1
103.03928	0.6
106.02932	5.5
109.59872	0.5
110.07169	2.6
113.08045	0.5
115.03941	0.8
116.98615	0.7
118.03526	0.9
119.01913	7.6
123.05553	100.0
127.03908	0.6
131.01837	0.6
133.04950	2.6
134.99591	0.6
137.02937	3.6
149.02881	0.5
156.07695	1.0
168.08679	0.5
171.05096	0.5
172.04552	0.9
177.67619	0.5
184.04973	0.6
185.02916	0.5
186.09743	7.7
197.06621	0.6
204.10802	4.2
208.99667	1.3
209.11331	0.5
214.03857	0.9
214.09225	8.6
215.07515	0.8
232.04935	0.9
232.10309	26.8
233.50755	0.5
255.09651	0.8
255.12073	1.1
255.15009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03439	3.5
59.04997	0.3
61.02919	0.6
69.03426	1.7
69.62747	1.4
71.01356	0.5
73.02918	2.0
78.03448	0.5
78.10188	0.3
80.05009	1.9
80.05406	0.3
85.02905	1.8
87.04468	0.3
94.06557	0.5
96.04468	0.6
97.02887	1.0
98.20779	0.4
105.49303	0.2
106.02917	5.0
115.03932	1.6
123.05552	100.0
124.05917	0.4
133.04956	2.5
137.29839	0.2
137.57516	0.3
154.80075	0.2
255.06261	0.6
255.09862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47887	10.2
71.57476	11.7
71.57858	12.9
72.38606	11.4
94.93027	10.9
97.66013	10.1
100.05723	10.0
112.89610	48.0
119.66480	10.6
170.99101	29.4
172.95279	10.5
189.00044	25.7
196.51421	10.1
209.18970	11.5
232.01540	11.1
255.00873	15.8
255.06239	100.0
274.82248	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	255.0863
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
53.03933	3.9
55.01869	4.5
55.05511	16.7
57.03427	5.2
57.07055	1.4
65.03928	1.9
67.05507	7.6
69.03426	9.6
69.07040	1.8
71.01345	5.5
71.04993	21.6
73.02894	4.4
79.05495	4.2
81.03426	9.6
81.07043	4.5
83.04980	85.4
83.08624	1.5
84.05266	1.1
85.02901	14.7
87.04451	1.4
91.05467	3.5
93.07042	6.6
95.04966	10.7
95.08576	2.2
97.02883	7.1
97.06516	3.1
97.10140	1.8
98.98447	5.1
99.04453	71.0
107.04953	1.8
107.08536	2.4
107.35327	1.1
109.02867	4.8
109.06524	3.1
109.10126	2.0
111.04440	58.6
112.04797	1.3
113.02302	1.4
117.07040	1.3
119.08546	2.1
121.06516	2.0
123.04451	3.0
125.02339	1.4
125.05981	2.6
126.03078	2.5
127.02969	2.7
127.03915	56.2
129.05453	4.8
135.04410	1.6
135.11676	4.9
137.05969	3.4
140.76898	1.3
145.05011	1.6
145.10139	1.5
149.05988	2.6
151.03920	3.6
153.05431	3.2
157.10103	1.9
159.11681	1.5
165.05544	2.5
167.07021	2.1
169.04941	7.9
171.11603	1.5
181.04932	8.4
190.41119	1.2
191.06961	1.9
193.04955	8.2
195.06558	3.4
197.13484	1.1
209.08084	1.8
219.06607	1.7
237.07561	21.5
237.16356	1.2
255.08636	100.0
255.17410	5.2
255.21088	3.3
256.08893	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52588	0.3
55.01880	2.0
56.96561	2.4
57.03437	4.6
59.04979	0.6
61.02923	0.8
69.03424	2.0
69.74980	1.6
70.06588	2.2
71.01359	0.8
73.02916	1.9
78.03461	0.8
80.05000	2.0
84.62403	0.3
85.02904	3.6
87.04454	0.5
96.04493	0.5
97.02884	1.9
98.21417	0.5
98.97572	1.6
100.99177	0.4
103.39485	0.3
105.34489	0.3
106.02904	5.6
110.07157	2.3
110.97576	0.3
115.03900	1.9
116.98630	1.4
118.08660	0.6
118.30437	0.3
119.00170	0.4
119.01923	0.6
123.05549	100.0
124.03977	0.4
127.03938	0.5
128.98619	0.5
130.06712	0.3
133.04962	2.8
134.99666	0.9
138.05495	3.4
146.99643	0.4
155.01921	0.5
156.07730	0.7
163.04016	0.6
172.02834	0.4
174.04482	1.0
176.07683	1.3
183.04980	0.6
185.02859	0.4
186.04417	0.4
190.03947	0.6
190.98581	0.6
197.03056	0.3
204.05449	0.3
208.99637	2.0
214.03767	1.7
227.00670	0.5
232.01454	0.4
232.04874	2.3
245.05116	0.7
255.06367	1.6
255.14629	0.5
273.12967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.8
55.05500	0.6
56.96552	0.4
57.03438	4.1
57.07065	0.5
59.42816	0.4
61.02917	0.9
67.05535	0.4
67.58382	0.4
69.03423	2.1
69.07064	1.2
70.31626	1.8
71.01348	0.6
71.08639	0.4
73.02919	2.4
75.36497	0.4
78.03455	0.6
80.05013	2.0
81.07059	0.4
83.04993	0.5
83.08591	0.5
85.02902	3.0
87.04454	0.5
87.35871	0.3
96.04492	0.7
97.02880	1.2
98.98469	2.3
103.03905	0.4
106.02917	5.4
110.07140	1.8
115.03933	1.8
119.01925	0.7
121.10143	0.5
123.05550	100.0
125.09621	0.4
127.03927	0.7
133.04955	3.0
145.04865	0.4
156.07753	0.5
157.03499	0.5
173.02966	0.7
174.04468	0.7
183.05013	0.8
226.03154	0.4
245.05122	0.7
255.06361	3.9
255.09068	0.4
255.10004	0.4
255.14267	0.5
255.21075	0.6
267.20053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2842
Annotation	(-)-Solenopsin A
Peak:m/z	Relative Intensity
55.05267	0.7
55.05513	9.8
57.07085	4.1
57.50097	0.3
58.06601	9.2
67.05508	0.4
69.07069	12.9
70.20022	1.2
70.20435	0.8
71.08646	2.0
72.08170	0.8
75.84766	0.4
83.08620	8.8
85.10175	1.0
97.10165	5.9
98.98479	0.7
107.08564	0.4
110.18976	0.4
111.11705	1.4
145.10178	0.5
157.10046	0.4
161.13330	0.4
171.11710	0.4
180.19994	0.4
184.20627	1.6
185.13205	0.4
199.14828	0.6
213.16432	0.6
224.78546	0.4
254.28436	100.0
255.21161	1.9
255.28758	1.9
265.19904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.05514	12.8
56.96559	0.6
57.07079	4.2
58.06602	9.8
67.05495	0.9
69.07070	14.4
71.08623	2.1
71.59855	0.6
72.08132	0.5
73.74202	0.3
79.05486	0.7
81.07043	1.3
83.08623	8.4
85.10172	1.1
90.95316	0.3
91.05470	1.0
93.07033	1.1
95.04938	0.4
95.08582	2.0
97.10170	5.6
97.15147	0.3
98.98478	2.3
105.07039	1.5
107.08585	1.5
109.10162	0.8
111.11749	1.5
119.08601	1.7
120.03204	0.3
121.10172	0.8
123.11732	0.4
125.13302	0.5
129.06987	0.5
131.08597	0.4
133.10124	1.7
135.11703	0.5
142.07797	0.4
143.08536	1.5
145.10161	1.6
147.11685	1.2
156.09370	0.5
157.10158	2.8
159.11679	1.6
170.10835	0.4
171.11748	2.2
173.13260	1.1
184.20592	2.0
185.13200	2.6
186.44577	0.4
187.14839	0.4
197.13301	0.3
198.22185	0.4
199.14789	2.3
209.13330	0.4
211.14764	0.4
213.16377	1.1
227.17931	0.5
247.02455	0.3
254.28439	100.0
255.13625	0.5
255.17574	1.3
255.21083	13.4
255.28754	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	254.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05507	3.1
56.05026	1.6
56.96569	4.9
57.03428	1.7
57.07055	1.2
57.53911	0.6
60.08163	30.4
64.64838	0.6
65.03940	1.8
67.05517	1.5
68.05032	1.9
69.03429	1.7
69.07093	0.6
70.06593	1.9
70.54129	2.0
72.08140	1.0
73.02915	1.0
79.05503	3.2
81.03424	1.1
81.04547	1.3
81.07059	12.8
82.05332	2.1
83.05006	0.7
83.06105	12.3
84.04514	1.4
84.08146	1.0
85.02922	1.8
85.06568	0.6
91.05478	3.6
93.03391	3.5
93.04530	8.6
95.06089	20.6
95.53255	0.7
97.02893	0.8
97.06516	0.6
98.06060	4.1
98.21497	0.7
98.97590	2.1
98.98467	4.0
107.04981	0.6
107.06124	2.0
109.02884	0.6
109.07713	0.7
110.07166	71.5
111.04444	9.8
111.05596	2.2
112.07594	3.0
112.08759	1.8
116.98631	1.7
119.04932	3.4
120.08109	13.6
121.02881	1.2
121.06554	2.1
121.07670	1.8
121.08443	23.6
122.05490	1.0
123.05575	2.7
123.06707	0.7
125.05997	15.9
127.03934	0.9
130.08687	0.9
134.06113	0.7
134.99687	0.9
135.04405	0.8
136.06201	2.4
138.06734	0.6
139.05031	0.8
147.04411	2.9
149.05984	28.7
151.07631	0.6
151.08701	0.6
151.12387	1.0
153.05467	36.7
154.07274	1.3
156.07646	3.6
158.99681	1.1
159.03050	0.6
161.01326	0.8
163.03986	1.7
163.12305	38.3
164.04283	0.6
172.95268	0.8
174.04507	1.6
177.00685	1.1
177.05545	1.9
180.08871	1.1
180.12685	1.7
181.13391	2.0
182.06750	1.3
186.04439	1.0
188.92479	1.6
189.00826	0.9
190.13379	15.1
193.13382	3.7
195.06531	22.1
195.11382	2.3
201.00725	1.0
204.05534	0.8
208.14449	55.2
209.12906	3.7
209.14745	0.9
210.16068	1.7
212.00616	1.3
212.11900	0.7
236.14105	1.6
249.02989	1.1
254.01828	1.3
254.09467	5.6
254.15083	100.0
255.15474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77571	2.1
56.96566	12.3
57.03423	1.9
57.07058	6.4
57.94891	2.3
58.07378	2.2
60.04517	17.3
61.02918	6.2
69.03420	3.2
70.06559	2.2
70.98479	6.0
71.01350	3.7
75.04475	17.2
81.07054	2.3
84.74090	2.0
85.02872	3.2
85.06567	2.7
86.09711	5.0
87.04458	5.7
89.02374	2.9
92.14536	2.2
95.06103	2.2
95.08594	2.4
97.02882	4.1
98.97603	4.1
98.98455	22.1
103.03930	19.0
110.07157	10.2
112.98049	2.2
113.07238	2.1
114.82212	2.1
120.08102	10.3
121.08437	14.0
123.05510	3.2
131.03444	5.7
143.00185	3.2
147.04355	3.1
153.85057	2.2
156.07707	3.6
159.02893	49.7
161.01215	5.3
166.08568	5.0
167.09018	12.5
177.00833	2.5
177.05479	2.5
184.33148	2.3
187.02406	2.4
188.92477	6.7
192.01897	2.1
194.07486	2.4
200.04478	4.0
217.48035	1.9
219.04990	100.0
231.17389	2.3
237.02814	4.3
254.11945	5.9
254.14557	2.6
255.03883	3.8
267.03854	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	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33482	1.3
56.96557	2.7
59.67449	1.3
61.02930	7.5
70.31654	5.1
71.01363	9.1
75.04489	18.5
87.04472	7.1
89.02389	3.2
98.98491	7.7
103.03946	20.9
109.24134	1.7
131.03403	4.7
151.48756	1.7
158.67349	1.5
159.02896	51.3
163.38112	1.4
180.93010	1.6
187.02428	6.1
219.05017	100.0
231.90135	1.4
237.78441	1.6
247.24799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44791	0.6
53.88542	0.6
55.01884	1.2
55.05511	0.8
56.96558	3.4
57.07047	0.8
58.06576	0.7
60.08163	83.1
65.03934	6.3
67.05515	0.8
69.03415	1.7
69.78458	3.7
70.06606	1.4
70.73835	0.6
72.08161	0.6
73.06538	1.4
79.05459	1.6
81.03409	1.4
81.07034	1.1
85.02905	3.2
86.03267	0.9
86.09714	0.8
91.05486	7.9
93.03400	8.0
95.04984	0.7
97.02885	1.4
98.20929	0.9
98.97581	1.2
98.98469	6.1
107.05034	0.8
110.03643	1.4
110.07200	0.7
111.04441	26.2
116.98610	0.9
119.04966	5.4
121.02868	14.8
121.06515	3.2
123.05556	1.8
125.05992	40.8
127.03913	1.1
134.03598	0.9
134.99625	0.9
135.04390	1.0
136.06186	0.9
145.02823	0.8
145.04961	0.9
149.05978	82.9
151.07481	1.6
153.05463	100.0
159.02936	2.4
161.01175	1.2
163.03964	1.1
165.74681	0.7
177.00766	1.0
177.05482	5.7
181.17747	0.8
188.92595	1.0
195.06535	68.1
201.00714	1.0
219.04979	2.7
254.13873	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96584	1.3
60.02711	0.2
60.17770	0.3
65.03944	2.8
65.31432	0.3
67.05534	0.4
69.03432	0.3
70.02957	1.7
70.03280	0.3
71.58698	0.5
72.44376	0.3
74.02434	0.9
81.03430	0.3
82.50745	0.3
83.90689	0.3
87.70032	0.2
87.84073	0.2
88.03978	1.9
91.05484	0.3
93.03403	1.0
97.42794	0.3
98.98477	2.1
100.56852	0.3
111.04445	0.8
116.03456	0.5
116.98629	0.3
121.02874	100.0
122.03224	0.4
126.12331	0.3
134.04477	2.7
134.06052	0.3
134.99655	0.3
136.11913	0.3
139.03902	0.9
143.00175	0.6
147.04407	0.8
159.02975	0.5
161.01210	1.1
164.34158	0.3
198.12277	0.3
208.06004	0.3
219.05116	0.8
236.05603	2.0
249.02809	1.4
254.06622	2.3
267.03870	0.8
272.04495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.3
55.05516	2.0
56.96565	23.0
57.03437	4.8
59.05003	2.4
60.08160	2.4
61.02925	8.7
67.03903	1.9
67.05491	2.4
68.99794	2.5
69.03441	10.2
69.77087	12.3
70.06596	5.6
71.01352	51.5
71.05003	3.9
73.02924	8.0
75.04486	10.7
81.07042	3.5
83.04975	6.1
84.08168	3.1
84.71803	1.8
84.96008	4.3
85.02908	15.5
87.04448	3.8
95.04944	2.5
95.06071	3.2
97.02896	12.2
98.97569	9.4
98.98449	10.3
101.02393	4.7
103.03938	21.4
106.02865	2.3
110.07154	2.1
111.04453	4.9
115.03930	3.8
116.03493	2.5
116.74883	1.7
116.98652	10.0
117.01871	8.7
119.01894	5.8
119.03411	3.0
119.04929	1.8
121.02874	24.5
123.04616	2.7
123.05556	49.8
127.00282	4.0
127.03916	4.9
128.98593	3.0
129.01842	3.7
129.05415	2.2
131.01907	2.5
131.03397	38.1
132.42090	2.0
133.04962	8.9
134.01251	2.6
134.99667	7.2
141.01808	4.5
143.00186	2.2
143.03427	3.8
145.01332	5.9
145.03964	2.3
145.04942	15.6
146.99664	4.6
147.04396	2.4
153.71059	2.0
157.04968	18.5
159.02885	100.0
161.01251	3.2
161.02965	3.2
163.06010	4.1
172.95248	5.2
173.02997	3.4
173.04482	2.2
174.00804	2.4
174.99207	2.1
176.05489	2.5
177.00714	3.7
178.70435	1.9
180.05099	12.7
181.03610	3.2
183.02071	2.1
183.08458	2.9
185.02956	2.8
186.03212	5.4
189.00584	4.0
190.96417	2.1
190.98595	4.7
191.05489	13.4
193.00285	2.8
193.03334	3.1
201.00642	4.3
201.03928	4.1
205.05466	3.1
208.99649	3.7
212.04025	4.2
219.01813	3.5
219.04993	80.5
231.01617	4.2
237.02710	2.3
237.06042	18.0
248.99187	3.6
249.02881	3.8
254.05064	7.3
254.08861	4.6
254.14818	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	254.066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06460	0.2
56.96558	0.3
64.95655	0.2
65.03938	2.6
69.47980	1.9
70.02945	1.1
74.02444	0.8
85.45039	0.2
88.04001	1.5
89.04910	0.2
93.03397	1.0
98.03666	0.3
98.98465	0.5
106.96307	0.2
111.04468	0.8
116.03441	0.7
121.02867	100.0
122.03195	0.8
134.04482	3.1
139.03908	0.9
139.72667	0.2
147.04379	0.2
161.01302	0.3
173.82076	0.2
208.06070	0.6
236.05586	1.9
249.02838	0.3
254.06615	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	253.2162
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
54.11766	1.3
55.05503	4.2
57.07077	15.0
64.13086	1.2
67.05177	1.4
67.05507	17.8
69.07070	85.2
70.05739	7.5
71.04986	1.8
71.08633	4.4
79.05505	6.9
81.07058	90.4
83.08615	1.9
91.05466	1.7
93.07041	2.6
95.08608	100.0
98.21485	2.3
98.97860	2.9
98.98470	42.7
99.04491	1.4
99.08121	3.0
105.07015	3.3
107.08589	2.1
109.10162	9.1
116.99490	1.5
117.09162	1.9
119.08559	2.8
121.10147	2.3
127.26463	1.4
133.10104	3.0
137.13258	64.3
140.01009	2.0
145.10103	2.4
147.11559	1.8
155.08516	1.6
157.10181	1.8
169.10083	2.9
174.99248	1.6
182.11008	1.4
183.11691	3.9
197.11673	3.3
197.13281	3.5
205.25725	1.4
211.14865	2.4
222.43384	1.4
224.52219	1.6
233.66597	1.4
253.12225	2.4
253.15953	2.7
253.19614	14.9
253.21808	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2164
Annotation	11-Methoxyopposit-4(15)-en-1beta-ol
Peak:m/z	Relative Intensity
53.03944	1.5
54.17280	1.3
55.05513	16.4
56.66513	1.3
56.96561	2.6
57.07073	11.2
59.04990	1.5
67.05508	12.8
69.03416	2.0
69.06790	1.5
69.07074	16.1
69.80357	1.6
71.04977	4.6
71.59776	1.7
71.60208	2.4
73.06554	2.0
75.15990	1.5
79.05502	9.6
79.83514	1.7
81.07062	22.8
83.04966	1.9
83.08604	5.0
85.02887	1.9
85.06547	4.1
87.08104	60.9
91.05474	9.9
93.07043	16.8
95.04975	9.1
95.08604	30.2
97.06531	3.5
97.10174	3.7
98.98467	100.0
99.69865	1.4
105.07033	30.9
107.04910	2.1
107.08599	18.8
109.06502	3.6
109.10160	16.5
111.08079	2.8
113.09696	1.8
116.99487	6.0
117.07019	2.1
119.08586	31.7
121.10151	17.3
123.04408	2.1
123.08053	3.3
123.11699	9.2
125.09621	1.6
129.06897	1.9
131.08569	2.8
133.06480	2.0
133.10136	16.6
135.11681	6.8
137.13264	3.1
140.01099	2.3
141.05414	3.4
143.08537	3.6
145.10101	4.7
147.10493	2.8
147.11676	41.7
149.13232	9.3
151.11194	1.9
154.27489	1.6
155.08530	3.8
157.10095	4.7
159.11670	6.0
161.13246	8.4
163.11185	1.7
163.14816	2.5
165.12759	3.9
169.10141	8.3
171.11729	3.0
175.14784	2.4
176.99052	3.5
177.12692	2.7
179.10631	2.3
179.14272	5.2
181.10175	2.6
183.11697	15.6
185.13258	5.1
195.11639	2.1
197.11707	4.8
197.13261	14.7
203.14261	1.5
203.17961	41.3
207.13809	1.7
209.13266	2.5
210.14056	2.2
211.14810	9.8
217.15712	2.4
221.15421	7.5
221.18944	12.1
224.15463	1.7
225.16406	4.2
235.17036	2.0
235.20526	5.2
241.48215	1.8
253.12207	2.6
253.15736	7.9
253.19496	43.9
253.21761	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	253.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78714	1.7
53.03949	4.0
55.01863	3.7
55.05510	71.9
57.03427	4.2
57.07073	16.5
65.03936	2.0
67.05502	60.7
69.03430	1.9
69.07064	100.0
71.04993	10.1
71.08638	3.5
71.35381	1.9
71.59758	3.8
79.05491	27.1
79.05917	3.2
81.03436	2.4
81.07053	93.7
83.04977	7.2
83.08614	68.0
83.09112	2.2
85.06550	9.8
85.10162	3.8
91.05479	25.5
93.07040	39.6
95.04971	4.8
95.08601	83.7
97.06541	14.7
97.10165	54.4
98.98458	29.1
99.04433	2.3
99.08091	7.9
105.07031	23.7
107.08585	28.6
109.02895	2.2
109.06515	5.1
109.10150	37.9
111.08069	11.0
111.11714	22.4
113.09613	5.6
115.07538	2.2
119.08578	30.5
121.10136	42.6
123.08079	6.0
123.11709	16.1
125.09629	6.5
125.13255	4.5
127.03925	2.1
131.08598	2.2
133.10132	30.8
135.11682	35.1
137.09589	10.4
137.13292	7.4
139.11186	13.3
141.05461	1.9
147.11690	23.2
149.13271	10.1
151.11156	13.2
151.14807	8.3
152.67024	2.2
153.12750	7.6
157.12196	2.3
161.05965	1.9
161.13243	21.9
165.12775	7.9
169.10196	2.3
171.13766	1.9
175.14725	8.7
176.98997	2.0
179.14285	8.2
189.12669	2.1
189.16422	4.2
191.17921	4.8
191.93317	2.2
193.15839	2.4
193.19518	8.6
197.11719	2.1
197.13275	2.9
202.47290	2.0
217.12215	1.9
217.19502	45.0
235.16942	2.1
235.20572	39.7
235.22754	3.3
253.15968	3.8
253.19435	5.8
253.21663	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2163
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03928	3.8
55.01872	4.8
55.05270	3.9
55.05515	60.0
57.07072	16.7
62.74258	2.7
62.98499	3.1
67.05507	46.9
69.07069	100.0
70.79272	10.6
71.04976	6.6
71.08641	4.3
79.05477	16.3
81.07057	65.6
83.04947	5.2
83.08616	50.6
85.06527	8.6
85.10205	3.7
91.05495	18.0
93.07056	25.7
95.08041	6.3
95.08607	66.8
97.06522	12.3
97.10175	59.2
97.22921	3.5
98.98456	31.7
99.08105	7.5
105.07036	21.0
107.08592	19.3
109.06548	5.0
109.10160	31.9
111.08088	8.9
111.11728	17.3
119.08575	27.3
121.10145	29.4
123.08065	7.2
123.11728	16.1
125.09634	7.3
125.13257	3.8
133.06529	3.8
133.10139	19.2
135.08006	7.1
135.11726	27.7
136.74730	3.3
137.05925	3.7
137.09639	7.9
137.13274	8.8
139.11214	5.9
139.93813	3.6
147.11673	24.2
149.13220	3.9
151.11140	12.5
151.14864	7.3
153.12756	6.8
161.13251	26.5
165.12752	7.2
169.10165	4.8
175.14899	5.1
176.99100	3.9
179.14313	7.6
193.19582	6.1
197.11760	5.6
217.12320	6.8
217.19531	45.9
235.13271	6.8
235.20607	27.3
243.56876	3.7
253.14304	6.9
253.19427	12.5
253.21667	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32498	0.5
53.03940	1.0
55.01867	2.0
55.05259	0.8
55.05510	9.0
55.11385	0.5
56.96560	2.1
57.03439	0.8
57.07069	2.0
59.04984	1.0
65.03922	0.6
67.05506	8.3
69.03426	1.4
69.07071	11.6
71.04979	1.3
71.57334	0.7
73.06566	0.6
79.05494	6.8
81.03433	0.9
81.07054	18.7
83.04984	1.4
83.08607	3.0
85.06535	1.3
87.08110	9.4
87.08592	1.0
91.05482	12.2
93.07043	17.7
95.04960	2.1
95.08605	27.0
97.02898	0.6
97.06538	1.2
97.10181	1.2
98.98466	14.7
99.04472	0.6
99.08087	4.3
105.07027	28.8
107.04961	0.9
107.08590	22.6
109.06512	2.8
109.10151	10.3
111.04429	1.1
111.08090	1.4
113.09657	1.6
115.05494	0.6
116.99447	0.6
117.07034	1.6
119.04923	1.4
119.08581	22.8
121.06532	0.9
121.10140	14.5
123.08063	2.3
123.11696	6.3
125.05998	1.3
125.09617	0.8
127.07593	0.6
129.06993	0.9
131.08553	3.6
133.06511	1.1
133.10123	15.3
135.08084	1.2
135.11668	4.0
137.05957	3.2
137.09587	1.8
137.13274	1.6
139.07608	0.7
141.06979	1.8
142.07809	2.3
143.08549	2.6
145.10126	6.3
147.11685	37.6
149.09689	0.8
149.13261	4.7
151.07565	1.9
151.11200	1.6
153.06990	1.7
155.08563	6.9
156.09375	2.6
157.10120	6.4
159.11694	5.7
161.13251	6.8
163.11183	1.1
163.14928	2.8
163.16106	0.6
165.07018	1.1
165.12776	2.1
167.08604	3.1
168.09331	5.7
169.10120	16.6
170.10857	2.1
171.11707	9.5
173.13268	2.0
174.99318	0.6
175.11162	11.6
175.12521	0.9
175.14857	0.9
177.16399	3.0
179.08588	0.9
179.14243	0.7
181.10072	4.8
182.10913	7.9
183.11688	50.2
184.12395	1.1
185.13261	3.8
193.08533	0.8
193.10185	3.8
193.12268	6.6
194.10890	1.5
195.11693	8.9
196.08806	0.9
196.12468	6.5
197.13255	35.1
197.60304	0.8
198.13956	1.7
199.14807	0.7
203.17944	18.7
205.10173	1.8
206.60753	0.7
207.11711	0.7
208.12538	0.8
209.11174	2.4
209.13290	9.4
210.14056	6.0
211.11327	14.5
211.13284	2.2
211.14848	22.8
212.15437	0.8
217.15976	0.7
218.11697	1.7
220.12453	2.8
221.18979	8.2
223.11211	1.5
223.14815	7.3
224.15575	6.1
225.16383	13.2
235.14883	6.9
235.16974	1.4
235.20552	1.1
238.13531	1.2
238.17172	7.3
253.15909	39.1
253.19527	100.0
253.21677	9.8
254.16167	0.8
254.19882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23446	0.1
55.01883	0.1
55.05511	2.4
57.03412	0.1
57.07076	1.0
57.84795	0.1
61.30447	0.1
61.47035	0.1
65.03946	0.1
65.86068	0.1
67.05168	0.2
67.05505	2.5
68.76715	0.1
69.03431	0.2
69.07069	8.1
70.96751	0.3
71.08624	0.4
76.63831	0.1
77.15487	0.1
79.05492	1.5
81.07056	3.6
83.04975	0.1
83.08613	1.2
85.02913	0.2
91.05472	2.1
93.07045	2.3
95.04954	0.4
95.08607	6.1
97.02899	0.2
97.06494	0.1
97.10158	0.4
98.98467	5.8
103.05441	0.2
105.07033	3.7
106.00455	0.1
107.08601	2.9
109.06511	0.2
109.10154	2.8
115.05455	0.4
116.99479	0.2
117.07032	1.3
119.08588	4.2
121.10123	1.2
123.04433	0.2
123.11720	0.5
128.06224	0.8
129.06970	1.4
130.07774	0.3
131.08566	2.9
133.10127	2.8
135.11684	0.4
141.05446	0.5
141.06987	2.8
142.07779	2.1
143.07620	0.1
143.08556	4.2
144.09334	0.5
145.10129	5.8
147.11693	1.3
152.06172	0.2
153.06989	1.3
154.07780	1.5
155.08560	10.8
156.09352	2.7
157.10132	6.6
157.11432	0.3
158.10886	0.2
159.11693	8.1
161.13278	0.3
165.06966	0.6
166.07782	0.3
167.08566	3.1
168.09344	4.6
169.10126	22.7
170.10910	1.6
171.07986	0.2
171.11693	7.1
172.12312	0.1
173.13261	2.5
174.99150	0.1
175.14806	0.2
179.08522	0.6
180.09355	0.5
181.10118	4.7
182.07336	0.2
182.09203	0.1
182.10912	7.0
183.11694	26.9
184.12428	1.0
185.09695	0.3
185.13255	5.0
193.10118	0.6
194.10925	0.8
195.07977	0.2
195.11700	6.0
196.08748	0.2
196.12485	4.8
197.09549	1.0
197.13258	31.5
198.14001	1.3
199.14822	0.5
205.10110	0.4
206.10986	0.1
207.11694	0.3
208.12347	0.2
209.09880	0.2
209.13258	5.8
210.10408	0.2
210.14034	3.3
211.11246	1.0
211.14816	17.9
212.15434	0.4
220.12427	0.3
221.13235	0.1
223.11136	0.5
223.14796	3.6
224.15602	3.5
224.17825	0.2
225.12743	0.5
225.16388	5.5
235.14810	0.8
236.15639	0.2
238.13522	0.8
238.17152	3.3
251.17953	0.3
253.15935	9.3
253.19504	100.0
254.16110	0.1
254.17143	0.1
254.19853	1.4
254.22237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32711	0.4
55.01876	0.6
55.05515	3.1
57.07062	1.4
66.70965	0.5
67.05502	3.7
69.03413	0.4
69.07066	5.7
71.04990	0.4
71.08602	0.5
71.60017	0.5
71.60368	0.5
79.05499	2.3
81.07062	4.7
83.08628	2.0
91.05475	2.5
92.49477	0.4
93.07052	4.6
95.04955	0.9
95.08611	8.3
97.06519	1.2
97.10138	0.9
98.98469	18.7
105.07032	5.1
106.74200	0.4
107.08605	5.0
109.02856	0.5
109.06504	0.5
109.10159	4.0
109.75774	0.4
116.99496	0.9
117.07017	1.7
119.08589	5.2
121.10143	2.3
123.11693	1.8
128.06195	0.7
129.06999	1.3
131.08583	3.3
133.10149	4.0
135.11700	2.2
137.09624	0.6
140.01031	0.4
141.05479	0.6
141.06981	1.8
142.07800	1.9
143.08559	3.8
145.10124	8.3
147.11693	2.4
151.11200	0.5
153.06993	1.2
154.07709	0.8
155.08559	7.6
156.09326	2.5
157.10121	6.6
159.11713	8.1
161.13284	1.0
165.06961	0.7
167.08588	2.6
168.09358	4.4
169.10129	15.5
170.10878	1.4
171.11710	7.3
173.13268	2.9
175.14830	1.1
176.98973	0.7
179.08507	0.6
180.09290	0.5
181.10146	3.5
182.10918	6.6
183.11702	25.9
184.12271	0.7
185.13263	3.2
193.10077	0.8
193.15900	1.1
194.11101	0.5
195.11661	5.4
196.12473	4.5
197.09552	0.9
197.13258	29.4
198.13994	1.2
199.14890	0.8
205.10248	0.6
206.99120	0.5
208.12556	0.4
209.13280	5.2
210.14038	3.5
211.09433	0.5
211.11263	1.5
211.14832	17.7
212.15642	0.8
220.12541	0.4
223.11333	0.5
223.14853	3.6
224.15538	2.4
225.16374	5.2
235.14850	1.5
235.17036	0.9
235.20749	0.4
238.13493	0.5
238.17113	3.3
253.00017	0.7
253.15952	8.2
253.19534	100.0
254.19905	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.7
57.07050	1.1
65.03953	0.4
67.05498	3.1
69.07065	5.0
69.46355	2.5
69.46772	0.9
77.17110	0.4
79.05466	1.7
81.07050	4.7
83.08612	1.2
85.14233	0.4
91.05479	2.2
92.49968	0.5
92.85603	0.4
93.07046	3.0
95.08601	7.0
97.06530	0.5
97.10178	0.9
98.21529	0.6
98.98466	6.7
105.07021	5.5
107.08588	3.8
109.06485	0.4
109.10147	3.9
117.06998	1.0
119.08578	5.0
121.10150	1.9
123.11694	0.7
128.06161	0.8
129.06992	0.6
130.07716	0.7
131.08566	2.8
133.10130	3.1
135.11720	0.8
141.06953	1.9
142.07765	1.9
143.08565	3.0
144.09305	0.6
145.10110	6.9
147.11673	3.0
151.14807	0.7
153.06989	0.9
154.07773	1.3
155.07367	0.8
155.08545	7.6
156.09308	2.6
157.10118	6.9
159.11694	9.4
161.13252	0.8
167.08577	2.0
168.09373	3.6
169.10118	15.5
170.10930	2.1
171.11674	8.3
173.13243	2.9
179.08569	0.6
180.09268	0.5
181.10101	3.7
182.10907	6.8
183.11688	26.0
184.12285	0.8
185.13281	3.0
194.10966	0.5
195.11693	5.5
196.12434	4.7
197.13251	30.1
198.13936	1.0
199.14821	0.8
203.17833	0.6
207.11829	0.4
208.12579	0.5
209.13246	4.4
210.14030	2.6
211.11292	0.6
211.12801	0.8
211.14809	16.6
212.15616	0.7
214.69533	0.4
217.19537	0.6
223.11247	0.6
223.14818	3.7
224.15569	3.1
225.16391	5.6
235.14853	0.7
235.16978	0.4
235.20538	0.5
235.89355	0.4
238.13657	0.5
238.17134	3.4
253.15927	7.6
253.19502	100.0
254.19858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05397	1.6
55.05698	0.6
57.06992	0.5
57.07226	0.2
67.05383	2.0
67.05776	0.5
67.12716	0.2
69.06946	4.6
69.07367	1.0
70.77990	0.5
71.08544	0.3
71.70808	0.2
73.31526	0.2
79.05364	1.0
81.06928	2.8
83.08497	0.6
91.05359	1.6
93.06928	1.8
95.04887	0.3
95.08484	5.7
95.09148	0.5
98.98347	2.2
105.06905	3.7
107.08465	2.6
109.10041	2.3
115.05386	0.4
117.06927	0.9
119.08589	5.2
119.09355	0.4
119.64893	0.2
121.10027	1.0
123.11631	0.5
128.06123	0.6
128.42412	0.2
129.07030	1.4
130.07692	0.4
131.08551	2.4
133.10130	3.7
135.11665	0.4
141.06970	2.4
142.07765	1.8
143.08553	3.7
144.09320	0.5
145.10120	6.7
147.11705	1.8
153.06958	1.2
154.07799	1.1
155.08546	8.3
156.09366	2.9
157.10126	6.7
159.11688	8.1
161.13225	0.5
165.06908	0.7
167.08586	2.6
168.09358	3.7
169.10127	17.4
170.10919	1.4
171.10287	0.4
171.11688	7.1
171.62326	0.2
172.17711	0.2
173.13277	2.3
179.08514	0.8
180.09344	0.5
181.10110	4.0
182.10918	7.8
183.11694	26.9
184.12471	1.1
185.13255	5.0
193.10146	0.6
194.10948	0.7
195.11691	5.6
196.12473	5.0
197.09499	0.9
197.13254	30.0
198.14034	1.4
199.14787	0.7
200.72325	0.2
205.10114	0.5
207.11609	0.4
207.21373	0.2
209.09711	0.3
209.13245	5.4
210.14038	3.7
211.11258	1.7
211.14815	18.3
212.15602	0.5
220.12515	0.7
223.11258	0.7
223.14810	3.3
224.15565	3.9
225.12901	0.5
225.16379	6.1
235.14848	1.5
238.13531	0.4
238.17133	3.6
253.15904	11.1
253.19507	100.0
254.19803	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	Rumphellolide B
Peak:m/z	Relative Intensity
51.14069	1.6
55.01871	2.2
55.05516	9.7
56.96549	2.7
57.07076	6.6
58.06606	2.1
67.04353	1.5
67.05502	9.4
67.94442	1.2
69.03418	3.5
69.07071	8.0
71.04990	2.4
71.08644	1.6
71.60188	1.6
77.74406	1.5
79.05492	10.6
81.07056	31.7
82.07394	1.5
83.04983	2.4
83.08614	4.1
85.06560	2.8
91.05466	5.6
93.07040	9.9
94.69022	1.4
95.04948	3.3
95.08617	15.7
96.08976	1.5
97.06548	3.0
97.10166	3.2
98.98465	100.0
99.04507	1.6
105.07021	5.9
107.08592	8.6
109.06516	14.4
109.10174	8.0
111.04435	3.1
111.08134	2.3
115.03939	1.6
116.99515	3.3
117.07077	1.8
119.08585	8.8
121.10143	5.2
123.08087	2.6
123.11687	3.5
125.06049	2.3
125.09605	7.0
127.03867	1.3
131.08589	2.2
133.10112	9.2
135.11697	4.3
137.09584	2.1
137.13252	1.9
139.07527	2.4
140.01054	2.6
141.05484	4.5
141.09163	1.5
142.18655	1.4
143.08562	3.1
145.10115	3.8
147.11679	3.8
151.11211	3.2
153.12805	2.0
155.08565	4.5
157.10136	5.6
159.11707	2.9
161.09589	2.0
161.13263	2.0
168.09425	2.7
169.08751	1.5
169.10149	5.8
171.11644	4.1
174.99173	3.1
175.14799	4.7
176.98868	3.2
182.10965	3.2
183.11694	16.5
185.13242	1.6
189.16394	4.1
194.11050	1.5
195.11726	4.4
195.13823	4.8
196.12517	3.4
197.11696	5.0
197.13295	10.9
199.14807	1.8
206.99054	1.6
209.13290	3.1
211.11224	3.1
211.14774	6.9
217.15939	3.0
223.14804	2.1
224.15599	3.2
225.16409	5.0
235.14867	3.4
235.16949	18.8
238.17163	1.6
253.15994	15.6
253.19858	31.7
253.27174	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
54.06736	1.6
55.05508	49.8
57.07070	3.8
57.72238	2.1
59.04988	5.2
67.05485	11.4
69.07069	15.0
69.94064	6.2
69.94469	3.9
71.04996	20.6
73.06533	4.0
79.05478	17.9
81.07055	58.0
83.04979	100.0
83.08602	7.6
85.06545	3.2
88.56969	1.6
91.05473	11.8
93.07038	40.5
95.04949	3.6
95.08614	19.3
97.06529	4.5
98.98462	69.6
101.06022	2.3
105.07012	6.9
107.08588	43.5
109.06544	2.7
109.10133	14.0
111.08118	1.7
119.08538	8.2
121.10137	4.7
123.11732	2.9
133.10124	6.4
135.11681	48.3
140.01167	2.0
141.05473	3.4
143.08536	2.0
145.10088	5.1
147.11665	4.1
153.12741	37.2
155.08586	5.0
156.09375	2.4
157.10150	3.8
159.11694	4.2
160.01070	1.9
163.49014	1.9
168.09380	2.7
169.10152	11.6
171.11705	3.1
174.99272	2.5
176.99005	2.5
179.06927	2.4
180.95003	2.0
181.10092	2.7
182.10895	4.2
183.11688	16.7
189.16420	2.3
195.11664	4.3
196.12471	2.9
197.11665	3.7
197.13258	14.5
209.13239	2.8
211.14809	9.9
223.14908	2.9
225.16409	2.3
235.16866	10.3
235.20604	2.2
238.17319	2.0
241.40520	2.0
253.04724	2.3
253.12184	2.9
253.15715	3.6
253.19635	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88447	0.6
55.01874	1.9
55.05502	3.1
57.03428	2.1
57.07074	3.8
59.05000	2.0
67.05502	6.1
69.07066	15.9
70.91383	1.6
71.04992	4.9
71.08642	1.1
75.04442	0.7
79.05495	7.8
81.07055	100.0
83.08639	2.9
85.06541	2.6
91.05497	2.9
93.07034	1.1
95.08603	31.1
97.10180	2.2
98.98463	6.5
99.08092	10.9
105.07026	1.5
109.10131	5.0
111.11732	4.6
119.04951	2.6
121.02847	1.2
121.08461	0.7
125.13403	0.6
133.06445	1.0
136.05246	0.6
137.13254	31.7
142.97415	0.5
146.03603	1.8
147.04416	7.1
155.14305	52.8
161.05975	5.6
164.04730	1.1
177.05507	0.7
179.07042	12.7
253.12167	3.9
254.10358	0.8
263.55551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01866	2.2
55.05509	15.0
56.96555	3.8
57.07064	4.1
65.03951	1.3
67.05506	14.9
69.03424	3.5
69.07065	18.6
70.95095	2.9
71.04985	1.9
77.03926	1.6
79.05491	14.4
81.07056	31.0
83.04976	1.4
83.08619	2.6
84.36201	1.2
85.06531	2.1
87.08081	7.2
91.05481	26.4
93.07040	36.5
94.39206	1.2
95.04968	4.9
95.08605	36.1
97.02892	3.9
97.06503	1.7
98.98466	31.5
99.08090	8.7
105.07028	60.7
107.04987	1.9
107.08584	40.5
109.06537	7.2
109.10144	13.9
111.04452	2.1
111.08069	2.8
112.49329	1.1
113.09579	1.9
116.11061	1.2
116.99532	1.6
117.07055	1.5
119.04924	4.1
119.08572	42.6
121.06467	2.2
121.10137	27.6
123.08073	3.1
123.11639	7.4
125.05982	3.4
129.07106	1.6
131.08554	5.6
133.06551	2.2
133.10121	26.5
135.08055	2.1
135.11667	5.3
137.05986	9.1
137.09656	2.2
137.13234	3.8
139.07590	1.5
141.06982	2.7
142.07750	5.1
143.08607	3.2
145.10136	9.3
147.08035	1.9
147.11690	64.8
149.13260	7.2
151.07532	5.4
151.11166	3.6
153.06953	1.4
153.12695	1.3
155.08540	6.6
155.66130	1.3
156.09293	2.8
157.10112	12.1
159.11678	6.3
161.13246	4.0
163.11168	2.9
163.14830	3.1
165.06911	1.8
165.12743	8.0
167.08571	3.7
168.09355	5.3
169.10106	15.7
170.10864	2.7
171.11661	9.6
173.13272	2.8
174.99347	1.5
175.11183	33.0
175.12727	1.6
177.16481	2.6
180.09410	1.2
181.10143	5.4
182.10884	9.2
182.12300	1.4
183.11690	46.4
185.13260	4.0
189.35413	1.3
193.10327	2.8
193.12231	23.0
195.11739	7.2
196.12456	6.5
197.10219	1.7
197.11618	1.4
197.13245	37.3
197.60283	1.6
198.14046	2.0
199.14857	1.6
203.17958	15.2
206.60765	1.5
207.11708	1.5
209.11275	2.0
209.13251	11.0
210.14047	4.5
211.11168	13.8
211.13208	8.2
211.14926	19.7
220.12424	2.4
221.18929	6.7
223.11267	2.1
223.14821	9.7
224.15547	7.7
225.16420	14.7
235.14771	6.8
235.20517	1.6
238.17229	6.4
238.19469	1.2
253.12135	2.5
253.15872	41.2
253.19507	100.0
253.21687	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	253.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17262	0.7
54.77752	0.8
55.05505	3.5
57.07066	3.3
59.05005	1.9
67.05508	6.0
69.07072	18.8
69.90036	3.3
71.04990	6.1
71.08607	0.9
74.26899	0.8
79.05510	7.6
81.07063	100.0
82.30045	0.8
83.08614	2.1
84.85925	0.8
85.02929	0.8
85.06531	3.0
88.95824	0.7
91.05487	1.9
95.08614	32.7
97.10191	2.4
98.98486	8.0
99.08096	8.5
101.68658	0.8
107.04905	0.8
109.10152	6.9
111.11736	6.2
117.26193	0.8
136.06184	1.0
137.04578	1.4
137.13266	26.3
155.14319	60.4
196.06859	0.8
202.16129	0.8
212.40410	0.8
253.12105	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	253.1183
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
55.01873	0.6
55.05499	0.9
56.96576	0.6
57.07074	1.7
60.04526	63.6
67.05498	1.3
69.03418	1.3
69.07058	1.2
70.02953	0.9
71.40873	0.9
79.05493	1.3
81.07053	2.0
83.04987	0.6
83.08620	0.8
84.04523	0.5
84.08133	1.4
85.02914	1.1
86.09734	0.7
87.04491	0.5
87.05585	2.3
91.05480	1.9
93.07056	1.1
95.08629	1.6
97.02895	0.9
98.98465	25.9
103.05468	3.1
105.07031	1.5
106.12008	0.4
107.04940	1.9
107.08583	0.7
109.02887	0.9
109.10162	1.3
110.07156	0.8
115.03896	0.7
116.98684	0.5
116.99473	1.1
117.07039	0.9
119.08578	0.9
120.08105	100.0
121.08453	0.7
123.04452	0.5
125.09771	0.6
127.03934	1.7
131.04909	2.4
132.08098	1.0
133.10136	0.8
141.05423	1.0
144.08060	2.4
147.04419	0.7
147.11694	0.7
149.05992	1.4
159.02826	0.5
162.09180	2.3
166.08638	64.8
189.94418	0.5
197.00157	0.5
197.11732	2.0
205.00104	1.2
207.11285	17.1
219.04938	0.9
229.60110	0.5
235.10849	5.0
243.10162	0.4
253.11850	16.0
253.14418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01861	0.5
55.05505	1.3
56.96577	2.9
57.03444	0.7
57.07079	1.5
60.04520	1.0
60.08167	0.3
61.02925	0.6
67.05502	1.2
69.03450	2.4
69.07072	1.3
70.06595	0.9
70.16828	1.4
71.01347	0.3
71.05001	0.5
72.08155	0.3
72.42199	0.3
73.02922	0.5
73.06570	4.1
74.06052	0.3
75.56413	0.3
76.29982	0.2
79.05476	0.4
81.03429	0.9
81.07092	1.8
83.04993	0.3
83.08607	0.6
84.04513	0.3
84.08143	1.2
85.02423	0.5
85.02917	6.9
85.06559	0.4
86.09710	1.0
87.04453	0.4
88.03969	0.4
91.03944	0.4
91.05484	1.8
93.07056	2.0
95.04974	0.8
95.08585	1.3
97.02906	1.9
97.06525	0.3
98.06065	0.4
98.97613	0.9
98.98479	21.5
99.04488	0.7
103.05479	4.7
105.07041	1.0
106.05058	1.1
107.08629	0.5
109.02880	0.8
109.06528	0.5
109.10187	0.7
112.07644	0.4
115.03944	0.3
116.98665	0.8
116.99512	1.1
119.04949	1.2
119.08613	0.6
120.08119	100.0
121.02878	0.8
121.05138	1.1
121.06497	0.4
121.08495	1.0
121.10136	0.3
122.07187	0.3
123.04469	0.6
127.03935	2.7
128.98570	0.3
129.10222	0.5
130.08676	0.4
133.10155	0.4
134.99670	0.9
136.07574	0.4
137.05948	0.4
137.09503	0.3
140.01105	0.4
141.05446	0.7
144.41661	0.3
145.04930	1.4
146.99678	0.7
147.04430	2.5
147.11609	0.5
150.00795	0.4
150.05527	0.6
151.07547	0.4
158.99538	0.3
159.03026	0.4
159.63438	0.3
161.01242	0.6
165.05551	0.3
166.08649	0.6
169.10149	0.3
172.95279	0.4
174.04436	0.5
174.99222	0.7
176.98967	0.7
177.00755	0.6
179.10707	0.5
180.05226	1.8
182.83926	0.3
183.11722	0.6
185.02946	1.1
186.04439	0.7
188.92581	0.4
190.96259	0.6
194.09328	0.5
195.06487	0.3
197.11731	1.8
197.13268	0.3
201.00740	1.0
201.12541	0.5
203.04053	0.5
204.05408	0.5
219.05104	0.4
235.10933	0.8
237.02960	0.4
253.11946	4.2
253.15950	0.5
253.19563	0.8
254.08870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1188
Annotation	Phenylalanylserine
Peak:m/z	Relative Intensity
55.05505	1.6
56.56753	0.3
56.96566	3.5
57.03432	0.9
57.07076	1.7
60.04541	2.0
61.02929	0.8
65.03942	0.4
66.19983	0.3
67.05497	1.3
69.03429	3.2
69.07063	1.6
70.06583	0.5
71.01352	0.7
71.04985	0.7
71.59496	0.3
71.59990	0.7
72.08154	0.4
73.02914	0.8
73.06558	5.2
79.05477	0.7
81.03420	1.3
81.07065	1.5
83.08592	0.5
84.04492	0.3
84.08150	1.4
84.96014	0.5
85.02911	11.5
85.06546	0.5
86.09698	1.0
87.04493	0.6
87.45078	0.3
88.03989	0.6
91.05486	2.0
93.03383	0.4
93.07057	1.9
95.04973	0.7
95.08617	2.1
97.02892	3.4
97.06525	0.3
98.97630	1.0
98.98472	26.2
99.04456	1.0
103.03937	0.4
103.05469	4.6
105.07022	0.8
106.05033	0.9
107.05019	0.3
107.08598	0.5
109.02885	0.9
109.10159	0.9
110.07160	0.4
111.04391	0.5
116.98640	1.2
116.99502	1.4
119.04964	0.7
119.08552	0.5
120.08112	100.0
121.02882	0.4
121.06513	0.5
121.08463	0.6
121.10168	0.4
123.04433	0.7
125.29482	0.3
127.03910	3.4
129.10252	0.7
133.10138	0.7
134.99680	0.7
136.07591	1.6
141.05518	0.6
143.00244	0.4
145.04945	2.2
146.99651	0.6
147.04422	2.9
149.01248	0.4
149.05957	0.5
150.05527	0.5
153.05498	0.4
158.99667	0.5
159.02893	0.8
161.01218	0.6
165.00668	0.4
165.05495	0.4
166.08739	0.6
172.95270	0.8
174.99210	0.9
176.99100	0.6
177.00662	0.8
179.10681	0.4
180.05164	0.8
182.08163	0.7
183.11713	0.4
185.03015	2.0
188.55034	0.7
188.92552	0.7
190.96373	0.4
197.11667	1.6
201.00815	0.4
203.03999	0.9
207.11363	0.5
219.01910	0.4
219.05040	0.5
230.00111	0.4
235.10826	1.1
235.17029	0.4
249.02969	0.6
253.08824	0.6
253.11867	4.7
254.08859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	16.1
55.05503	6.4
57.03436	17.8
57.07056	3.3
59.04997	1.8
60.53959	1.3
65.03935	2.0
67.05501	9.8
69.03425	3.3
69.07070	11.5
69.60538	1.3
70.83687	4.5
70.84016	1.4
71.04991	5.8
75.04482	8.3
79.05486	12.8
79.64098	1.2
81.06577	3.2
81.07057	64.1
83.04977	2.3
83.08618	2.4
85.02886	2.6
85.06530	7.2
89.03905	2.4
91.05479	24.2
93.07040	7.0
95.04969	6.5
95.08602	20.3
97.02885	7.7
97.06530	1.6
98.98466	33.5
99.08089	6.9
103.05473	3.0
105.07031	13.4
107.04962	2.4
107.08595	3.9
109.06509	2.3
109.10165	4.8
111.04459	1.5
111.08106	1.6
111.11732	2.6
115.05439	2.3
117.03419	3.6
117.06997	2.1
118.04162	5.0
119.04930	27.4
119.08582	4.9
120.08118	2.7
121.02866	18.4
121.06522	3.6
121.08414	3.8
121.10110	2.0
123.04401	2.7
123.11723	1.7
129.06978	2.0
131.08606	2.7
133.06509	12.8
133.10175	3.3
135.08076	2.7
136.05200	5.9
137.05997	2.9
137.13243	17.4
145.02838	5.5
145.10123	1.9
146.03645	8.3
147.04410	46.8
147.11708	2.4
149.05994	2.4
151.07579	2.5
155.07057	3.0
155.14302	24.2
161.04633	2.6
161.05969	41.2
161.09715	2.7
164.04744	7.8
171.11609	2.9
175.11147	2.7
177.05458	13.5
179.07025	100.0
180.51944	1.6
189.09001	1.9
193.12283	4.7
197.11667	3.4
207.08371	2.8
217.08624	2.3
217.12144	3.5
217.16040	2.1
235.09662	3.5
235.13258	4.5
235.16917	2.2
246.99023	4.4
253.10863	8.2
253.14343	3.8
270.00656	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.082
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
55.01871	1.3
55.05506	2.6
56.96547	1.5
57.03441	1.4
57.07076	8.2
57.71917	0.9
59.31167	1.1
60.04528	1.6
60.94954	0.9
65.03938	1.6
67.05493	4.2
69.03429	3.2
69.07074	2.4
70.06594	1.7
71.04985	1.3
71.58727	1.8
72.08173	1.2
74.02443	9.9
79.05494	3.5
81.07069	6.8
83.08598	1.3
84.04514	1.2
84.08156	3.3
85.02900	3.0
85.06543	1.4
86.09696	1.5
91.05474	3.5
92.05013	1.3
93.07053	2.3
95.05003	1.2
95.08611	5.7
97.02900	3.4
98.98473	100.0
105.07019	1.8
106.06567	4.5
107.04967	1.8
108.04521	1.1
109.02892	2.3
109.10155	3.7
110.06044	3.7
111.04469	2.3
111.48138	1.1
113.09618	1.2
116.05020	1.9
116.98686	1.5
116.99524	4.3
118.06547	4.4
120.04476	2.1
120.08125	2.6
121.10130	1.6
123.08006	1.3
126.05551	2.0
127.03922	1.5
133.05171	1.7
133.07660	1.9
133.10207	1.8
134.06023	31.4
134.99675	1.2
135.08188	1.3
136.03938	2.1
136.06194	4.1
136.07581	1.5
138.05579	1.4
141.05476	2.9
144.04471	3.6
145.05281	1.4
145.07646	1.8
146.06024	48.5
147.05489	1.3
147.06795	1.2
147.11774	1.3
148.03993	1.4
149.04762	1.6
152.07106	3.1
158.06044	1.1
161.04718	1.8
161.07098	6.9
162.05518	66.2
163.03876	1.5
164.03438	11.4
172.03963	1.4
172.98119	1.0
173.07143	4.6
174.05499	1.7
174.07892	1.6
174.99248	3.7
175.08682	2.0
176.98935	1.9
179.10663	1.6
180.06581	2.6
185.02946	2.5
188.07158	1.5
189.06613	4.9
190.05022	9.2
190.07275	1.3
191.08281	1.2
197.11757	6.7
203.05797	1.3
207.07680	15.6
208.06020	2.6
217.06194	1.2
218.04459	1.3
219.07565	5.6
220.08475	7.9
235.07327	5.0
235.17058	1.2
236.05583	3.7
236.07986	4.4
242.07372	3.0
246.72905	1.1
253.08258	15.5
253.12112	2.1
253.18134	2.6
253.21764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	12.8
55.05492	2.6
56.17611	0.8
56.96562	1.3
57.03433	21.4
57.07061	2.7
65.03927	1.7
67.05499	4.4
69.03429	1.5
69.07056	2.5
71.04978	2.3
71.58869	1.4
75.04478	14.3
79.05486	3.6
80.69645	0.8
81.03408	2.3
81.07050	5.2
83.04990	1.6
85.02882	1.7
91.05476	26.0
93.07050	4.2
95.04954	4.7
95.08609	4.8
97.02885	4.5
97.06541	1.2
98.98461	40.3
99.04440	1.0
101.36433	0.8
103.05468	3.8
105.07027	14.3
107.04941	2.0
107.08573	3.1
109.02871	2.7
109.06505	1.5
109.10152	2.9
113.05994	0.8
115.05453	1.4
116.98653	1.0
116.99485	1.9
117.07018	1.7
118.04174	5.9
119.04935	27.4
119.08562	3.9
120.08035	1.0
121.02831	2.5
121.06501	2.2
121.10109	1.3
123.04416	1.6
123.08138	1.1
123.11681	1.0
125.09623	1.2
127.03911	0.9
129.06992	1.1
129.54634	0.8
131.04904	1.7
133.06487	10.2
133.10117	2.9
134.99608	1.3
135.04399	1.4
135.11703	0.9
136.05177	6.5
136.72585	0.8
137.05960	1.9
137.09625	1.4
141.05521	1.2
143.08543	1.1
144.33543	0.9
145.06535	0.9
145.10138	1.2
146.03630	11.5
147.04402	55.5
147.08028	1.6
147.11716	1.2
149.05919	1.2
149.09677	1.3
151.07561	2.5
153.09088	0.9
157.04828	0.8
157.10138	1.5
161.05975	35.4
163.03905	4.0
164.04678	12.3
165.05397	1.1
171.11714	1.0
174.99178	1.1
175.07538	0.9
175.11208	1.7
176.04662	1.6
177.05460	5.9
178.06297	1.0
179.07028	100.0
183.11700	1.0
189.12775	1.0
193.12251	1.0
197.11729	2.4
203.06979	1.1
205.08604	1.2
217.08571	2.4
217.12202	1.7
217.15944	1.5
235.09628	2.7
235.13235	1.8
235.16960	2.7
253.10626	6.9
253.14005	1.5
253.17899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05268	0.5
55.05509	7.3
56.96571	2.2
57.07061	1.5
58.06598	8.9
61.04263	0.4
67.05512	9.7
69.06729	0.8
69.07068	10.6
71.60340	0.5
72.08152	0.8
79.05478	1.3
81.07058	11.8
83.08611	3.8
91.05470	1.0
93.07038	1.0
95.08606	12.8
97.10173	2.0
98.09675	0.6
98.98463	16.6
105.06996	1.0
107.08565	0.8
109.10155	4.5
116.99489	0.4
119.08568	0.7
120.98192	0.4
121.10156	0.5
122.65963	0.4
123.08075	0.5
123.11731	1.1
133.10107	0.6
143.08592	0.4
145.10106	0.7
151.11194	0.5
155.08469	0.5
156.97919	0.6
157.10010	0.5
163.97688	1.0
168.09312	0.5
169.10201	0.8
170.16542	0.4
171.11676	0.4
174.99182	0.4
175.99564	0.5
181.98839	0.7
182.10951	0.7
182.79259	0.4
183.11688	3.5
188.09520	0.5
196.12517	0.6
196.38933	0.5
197.11674	0.8
197.13281	1.9
205.98761	1.9
209.13286	0.8
211.05911	0.5
211.11221	1.3
211.14842	1.7
217.61353	0.5
223.14793	0.7
225.14671	3.3
229.00330	1.2
234.15910	0.7
235.14835	0.6
252.26857	100.0
253.14246	2.9
253.16100	1.9
253.19527	6.4
253.27249	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15881	0.3
51.46661	0.3
55.05271	0.5
55.05514	8.2
56.96561	0.4
57.07067	0.6
58.06597	8.4
63.26794	0.4
67.05504	9.9
69.07069	10.0
69.98622	0.3
71.08620	0.3
71.33017	0.6
72.08147	0.7
79.05503	0.8
81.07053	12.3
83.08627	4.1
85.55127	0.3
93.07057	0.8
95.08604	12.2
97.10152	1.9
98.09688	1.0
98.98464	7.7
105.06996	0.5
105.41898	0.3
109.10152	4.6
123.11694	1.2
127.75203	0.3
132.78831	0.4
135.01419	0.3
136.32082	0.3
137.13190	0.5
193.08604	0.5
196.06139	0.7
223.30655	0.4
229.07375	0.5
252.12314	1.3
252.26859	100.0
253.27199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66077	1.3
55.05511	7.7
55.94606	1.5
56.96552	2.8
57.07070	2.0
65.03928	1.7
67.05509	14.6
69.03434	1.8
69.07067	12.2
69.51681	7.1
69.52099	4.7
71.04974	1.3
73.06546	2.4
79.05492	12.6
81.03404	2.3
81.07057	47.1
82.17516	1.4
83.08594	4.6
83.09050	1.6
84.05354	1.5
85.06535	3.3
86.09607	1.8
87.08113	7.3
91.05476	27.9
93.07043	26.1
94.07349	1.8
95.04982	3.2
95.08608	61.6
97.02888	6.0
97.10145	2.7
98.06969	1.4
98.21516	1.5
98.98458	22.8
99.08108	1.4
103.05446	1.8
105.07032	68.1
107.08596	32.0
108.08938	2.1
109.02860	5.4
109.06488	3.4
109.09465	2.2
109.10162	35.3
110.10499	1.7
113.09614	2.1
117.07009	3.0
119.08578	51.2
121.02838	1.7
121.10139	28.1
123.11712	19.1
130.95738	1.5
131.08546	3.1
133.06483	4.6
133.09122	2.3
133.10129	39.4
135.11702	5.7
137.09592	2.1
143.08566	1.8
145.10071	4.3
146.10460	1.6
147.04414	1.9
147.11684	96.4
148.12030	2.1
149.09627	1.8
149.13235	3.6
159.11638	2.2
160.07535	3.5
161.06033	6.7
161.13251	14.0
162.09966	1.6
167.07082	1.9
173.15205	1.4
175.14801	5.3
191.09407	6.6
193.08635	10.1
203.17952	100.0
204.18289	1.7
206.08089	2.1
219.09045	2.0
220.20598	6.7
221.06175	1.7
229.05388	1.9
229.07500	7.9
234.15660	2.1
235.16814	2.0
235.20549	11.0
247.08546	6.4
252.12340	19.7
252.16769	5.9
252.20586	3.3
252.23221	48.3
253.08649	2.8
253.12411	2.2
260.71426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1092
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
55.68937	0.2
56.76114	0.2
61.69541	0.1
69.03424	0.4
71.04993	0.9
71.48721	0.3
72.05323	0.2
73.02912	0.8
81.03410	0.5
81.07063	0.4
82.03730	0.3
84.08138	0.4
85.02983	0.2
87.94157	0.2
91.05482	0.4
94.04046	0.5
95.06092	1.8
98.98470	0.8
99.04453	1.2
109.02890	0.5
110.03241	0.3
117.05484	2.1
119.03548	0.8
136.06186	100.0
137.04561	0.6
137.06511	0.4
154.13139	0.2
171.48495	0.2
193.13335	1.2
234.10326	0.2
252.10777	2.9
252.20729	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.96550	0.4
57.03437	0.6
65.03933	0.4
67.05486	0.4
69.62901	0.3
70.07144	1.5
71.04980	0.3
74.02442	7.4
78.94131	0.3
79.05493	1.7
81.07060	6.0
86.09729	0.3
88.03472	0.8
88.03994	11.6
91.05485	27.0
94.04066	1.1
95.08604	1.0
95.85900	0.4
98.98471	5.8
99.08098	1.4
103.05459	0.5
104.03474	0.7
105.07040	1.1
107.04945	1.1
112.71652	0.4
116.03443	4.4
119.03561	1.8
119.04919	0.7
120.08113	3.5
121.06474	0.4
131.04922	0.4
133.06508	0.7
134.04492	17.3
136.06189	100.0
137.04637	1.9
146.06024	0.7
147.04436	2.1
148.04709	0.7
154.13043	0.4
161.05949	0.6
163.03889	0.4
188.07042	0.6
192.06664	0.6
193.08652	0.9
206.08179	3.4
234.07628	2.1
234.13506	16.7
240.80235	0.4
252.09241	1.8
252.14565	70.0
267.73132	0.4
273.59534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.5
61.78694	0.4
65.03935	1.4
68.46741	0.5
69.66016	3.5
70.02945	1.0
70.06603	0.6
71.05003	0.8
72.05323	0.6
74.02435	23.4
79.05489	1.4
81.07051	1.7
84.72029	0.5
86.09689	0.6
88.03989	44.3
91.05478	100.0
92.05819	0.6
93.07069	1.1
94.04078	0.5
94.07370	1.6
98.21455	1.1
98.98457	5.7
103.05452	0.9
105.07039	4.6
106.06540	0.5
107.04963	1.2
107.08574	0.5
108.08928	1.0
109.02866	1.0
115.05450	1.0
116.02655	0.9
116.03455	15.0
119.03548	0.5
119.04922	0.6
120.08125	3.4
129.10202	0.6
130.05110	0.5
131.04929	0.6
133.06512	3.6
134.04483	70.4
136.06177	28.5
136.07381	1.0
136.12022	1.3
146.05995	1.2
147.04376	1.9
149.94203	0.5
154.13057	1.4
160.07576	2.0
161.05971	5.0
188.07054	0.8
191.09393	2.1
193.08594	6.6
205.98758	0.8
206.08157	5.5
210.11194	1.0
234.07594	7.1
234.11374	0.6
234.13443	3.2
237.02824	0.5
237.09846	0.8
252.08771	3.9
252.12236	9.7
252.14542	17.6
258.60641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
55.99628	0.6
56.96556	0.7
65.03928	0.5
70.02959	1.1
71.05010	0.9
71.33917	0.7
72.05358	0.5
74.02442	19.0
74.02854	1.1
79.05489	1.2
81.07052	3.9
86.09722	0.6
88.03994	37.5
91.05482	81.0
94.04063	1.3
98.98470	4.1
99.00816	0.5
104.03455	0.8
105.07048	0.5
107.04965	1.4
116.03453	13.1
119.03540	1.4
119.04880	0.7
120.08112	1.7
133.06500	0.7
134.04491	57.1
134.30038	0.5
136.06187	100.0
136.11995	0.6
137.04587	1.1
146.05928	1.0
147.04437	1.6
148.49112	0.5
149.04837	0.7
152.74890	0.4
154.13054	3.0
175.24484	0.5
193.08664	1.2
206.08124	3.9
234.07610	5.6
234.13512	16.6
252.09019	2.9
252.14565	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01870	2.6
55.05505	3.9
57.07068	1.9
62.17706	1.4
67.05494	4.6
69.07059	3.3
71.04987	2.4
71.08633	31.2
71.59794	2.4
79.05492	17.4
81.07056	63.6
83.08604	2.4
91.05471	6.1
93.07045	23.3
94.28809	1.4
95.04945	3.6
95.08599	5.4
97.06525	1.4
97.10184	1.7
98.98463	100.0
99.07478	3.1
99.08089	31.6
105.07028	5.2
107.08596	22.8
109.06500	1.7
109.10161	4.3
116.99516	6.0
119.08579	4.3
121.10143	3.3
133.10101	2.3
135.11685	19.5
137.09598	4.7
140.01099	3.7
145.10144	2.7
147.11748	1.6
149.09637	1.8
159.11661	1.9
165.12846	1.7
174.99245	5.8
191.10803	1.8
233.15361	4.0
251.14246	2.5
251.16476	5.3
251.20226	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	251.2007
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
55.01884	1.1
55.05502	4.4
56.40998	1.0
56.96557	2.5
57.07077	2.3
59.05001	5.2
61.09392	1.1
67.05508	7.8
67.22951	0.9
69.03421	1.9
69.07070	20.0
69.45432	8.9
71.04995	4.6
73.06548	7.7
75.04450	1.7
79.05483	6.4
81.07056	22.4
83.04981	5.0
83.08608	2.9
85.06538	3.4
91.05470	7.9
92.44105	0.9
93.07042	13.2
95.04971	3.8
95.08609	10.6
97.06528	2.5
98.20760	2.1
98.98466	100.0
102.42863	1.0
105.07031	17.6
107.08605	17.0
109.06528	2.8
109.09457	1.5
109.10161	12.6
111.08082	2.8
116.99451	4.9
117.07005	2.9
119.08582	13.1
121.06503	2.6
121.10150	8.6
123.08078	3.4
123.11712	3.9
125.09648	1.1
129.06989	1.1
130.07806	1.1
131.08560	7.9
133.10107	6.4
135.08061	3.8
135.11688	7.6
136.39403	1.3
137.09607	2.2
139.11177	4.4
140.01086	2.4
143.08614	1.3
144.09340	2.4
145.10120	12.9
147.11682	5.8
149.09648	5.0
149.13249	2.8
151.11198	2.6
153.12737	4.1
157.10170	1.5
158.10902	1.4
159.11679	15.6
161.13257	2.9
163.07562	1.2
163.11237	4.8
169.12244	2.2
171.11685	1.2
173.13277	3.7
174.99219	5.1
175.11217	1.6
175.14803	1.7
177.12746	4.2
181.10187	1.2
189.16406	5.8
191.10818	1.1
191.14333	4.2
191.17944	2.4
195.11694	1.4
201.16373	6.3
205.98842	1.7
219.17427	8.1
229.00375	1.2
233.15311	3.5
233.19048	2.8
251.14143	2.3
251.16493	5.3
251.20078	29.6
255.39565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03941	2.7
55.01877	1.9
55.05511	13.0
55.09100	1.1
57.03421	0.9
57.07064	2.0
60.29603	0.9
65.03926	2.6
67.05505	100.0
69.07073	13.4
69.43717	4.9
69.44134	3.7
71.04972	4.1
79.05058	1.8
79.05494	24.2
81.07058	91.7
83.04960	2.5
83.08610	12.1
85.06539	3.0
87.48052	0.9
91.05484	14.5
93.07047	28.3
95.04965	3.1
95.08609	82.5
97.06528	10.5
97.10146	3.9
98.97855	2.0
98.98470	29.0
99.08067	1.5
103.05436	1.5
105.07019	11.3
107.04928	1.1
107.08603	16.3
109.06499	2.2
109.10161	39.1
109.89409	0.9
111.08126	6.6
116.99506	1.1
117.07012	3.0
119.08571	10.2
121.06509	2.4
121.10136	22.4
123.08058	3.4
123.11717	15.2
125.09625	2.4
131.08543	6.6
133.06499	1.1
133.10132	18.9
134.52322	1.0
135.08061	3.1
135.11711	16.2
137.09627	4.5
137.13251	4.4
139.11195	2.2
145.10138	6.2
147.11670	6.3
149.06000	2.0
149.09634	2.6
149.13260	7.8
151.11179	7.7
153.12759	2.1
155.10663	2.1
159.11693	6.4
161.06015	1.6
161.13274	1.0
163.11165	3.1
167.07040	0.9
167.10670	1.1
169.12167	1.4
173.09521	1.0
173.13286	2.7
175.14880	1.2
177.05405	1.2
177.12779	1.4
181.08572	1.9
181.12250	2.0
187.14793	2.3
191.14294	2.0
191.17894	1.7
193.08580	2.1
195.12070	1.0
195.13794	4.0
205.19641	1.2
209.08119	2.8
215.17992	15.9
233.15312	3.3
233.19026	13.8
235.76701	1.0
239.39592	1.2
251.16124	2.0
251.20068	32.7
252.12381	4.9
255.53215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1645
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03936	1.3
54.10934	1.0
55.05516	11.0
55.90083	0.9
56.96563	1.9
57.03423	1.1
57.07070	2.8
58.07550	1.0
59.04988	3.3
67.05512	9.1
69.03419	2.3
69.07073	14.7
71.01347	1.4
71.04988	4.1
71.60436	1.8
79.05492	10.9
81.03397	1.1
81.06591	1.4
81.07064	19.4
83.04986	10.0
83.08640	3.1
85.06538	5.0
87.86321	1.1
91.05490	6.1
93.06474	1.9
93.07053	30.3
95.04973	4.3
95.08610	14.8
97.02882	6.0
97.06535	4.1
97.10176	2.0
98.97647	3.1
98.98470	86.8
99.08106	1.4
105.07023	12.4
107.04963	2.2
107.08606	16.4
109.02928	1.2
109.06518	4.1
109.10156	9.9
111.04464	9.0
111.08087	2.7
111.11736	2.4
116.98602	3.1
116.99536	4.3
117.07054	3.0
119.08575	8.9
121.06522	2.1
121.10148	39.2
121.96170	1.1
123.08089	4.2
123.11726	7.7
125.09633	2.1
131.00137	1.3
131.08565	6.4
133.06500	2.5
133.10126	5.0
134.99666	1.4
135.08084	2.4
135.11667	7.4
137.09590	2.2
137.13220	1.3
139.07550	1.3
139.11182	2.5
143.08571	2.0
145.06496	1.7
145.10127	5.5
147.08031	1.9
147.11656	5.3
149.01274	2.5
149.09642	14.1
149.13234	4.0
151.11238	1.9
153.12746	8.7
157.10211	1.1
159.11720	5.4
161.05975	3.0
161.13289	2.1
163.07288	1.8
163.11195	1.5
163.14824	2.7
167.10689	100.0
172.07593	2.5
173.13226	2.7
174.99260	5.8
175.11209	3.3
175.14774	1.2
177.00732	1.4
177.12680	1.7
184.07495	2.1
187.14842	2.8
189.12712	2.6
191.02142	1.3
191.10724	1.4
191.14322	1.7
193.08556	3.2
197.13365	1.6
205.08574	1.8
205.15923	2.5
207.11880	1.2
215.14348	4.4
215.17886	2.1
215.52287	1.3
221.07922	1.4
233.07951	1.5
233.11728	2.1
233.15373	9.0
233.19046	2.3
237.89491	1.0
244.99734	1.5
251.06903	1.5
251.08945	2.3
251.16338	22.9
251.20236	5.3
252.12328	2.7
255.75555	1.2
265.81567	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03942	1.4
55.01872	4.7
55.05509	14.1
56.96560	1.0
57.07068	2.5
59.04987	3.8
67.05499	9.8
69.03431	1.6
69.07069	12.2
70.61591	3.1
71.04991	20.2
73.06551	4.5
79.05481	8.7
81.03403	1.9
81.07054	24.2
83.04977	14.6
83.08609	3.0
85.06516	1.9
87.04453	4.6
91.05477	8.3
93.07053	11.5
95.04961	4.3
95.08608	9.8
97.06512	2.7
97.10159	1.3
98.98463	100.0
99.04459	1.4
102.46321	1.0
103.05453	2.7
105.07030	12.5
107.04963	2.0
107.08599	13.2
109.06535	4.7
109.10153	14.1
111.04389	1.3
111.08049	1.6
115.03923	13.0
115.05461	1.0
116.99499	4.5
117.07006	3.5
119.08588	9.6
121.06528	5.1
121.10158	7.3
123.08044	2.8
123.11691	10.1
125.09623	1.7
131.08551	7.0
133.10130	6.9
135.08035	4.2
135.11668	4.0
137.09584	1.9
139.11188	1.9
140.01079	3.2
143.08577	1.7
145.10095	8.6
147.08075	1.6
147.11717	3.8
149.05971	4.5
149.09593	2.7
149.13242	1.8
151.11183	9.6
155.49057	1.0
156.13618	1.0
159.08110	1.4
159.11685	8.8
161.13258	2.4
163.07538	1.6
163.11182	3.1
173.13248	2.3
174.99226	3.6
175.11169	2.1
175.14827	1.1
177.05493	2.8
177.12762	3.5
181.08566	3.6
181.10083	1.1
187.14792	1.7
189.16406	1.6
191.07091	2.4
191.14301	2.0
191.17946	1.2
193.12222	2.1
197.13277	1.2
201.16336	1.9
205.16003	1.4
209.08028	7.1
215.17957	1.4
219.13828	2.4
219.17415	2.9
233.15395	5.6
233.19147	1.9
251.16232	12.2
251.20088	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	251.1642
Annotation	Heterophyllol
Peak:m/z	Relative Intensity
50.63186	0.8
53.03939	1.6
53.84866	0.8
55.01863	1.4
55.05511	6.3
56.96550	3.0
57.03409	1.0
57.07073	7.4
58.88250	0.7
59.05006	6.8
67.05228	0.9
67.05508	9.6
69.03427	9.0
69.07063	7.1
71.01344	1.6
71.04994	35.6
71.08615	2.8
71.59711	0.9
79.05494	8.0
81.03407	2.3
81.07059	14.3
83.04983	8.6
83.08624	5.6
84.32809	0.7
85.02880	3.0
85.06537	6.5
91.05479	11.0
91.22269	0.8
93.07043	14.2
95.04967	10.9
95.08050	1.2
95.08599	13.5
97.02863	1.2
97.06529	9.3
98.97620	3.0
98.98466	100.0
99.04425	2.4
99.08089	4.1
105.07033	13.6
107.04945	3.2
107.08588	16.0
109.02843	1.3
109.06509	8.0
109.10169	11.3
111.04377	1.3
111.08067	6.6
113.06003	7.3
115.05440	1.0
115.07567	2.1
116.98603	2.8
116.99503	4.5
117.07029	4.2
119.08587	25.3
121.06483	3.2
121.10140	27.4
123.08070	8.8
123.11698	6.0
125.05990	14.8
125.09616	1.6
129.06993	2.3
129.09082	1.0
131.06978	1.5
131.08574	7.9
133.06462	2.2
133.10127	8.3
134.99672	1.7
135.08069	4.8
135.11697	7.1
137.09615	32.5
137.17134	0.9
139.07472	1.2
140.01071	2.6
142.07674	0.9
143.08537	0.9
145.06458	1.6
145.10132	16.3
146.99695	1.1
147.08044	46.5
147.11691	11.5
149.05910	1.1
149.09625	10.0
149.13217	2.5
151.07501	3.6
151.11195	2.4
151.14787	3.0
153.09091	3.1
153.12735	2.3
155.08578	1.2
155.10669	2.1
157.10115	3.2
158.99641	1.1
159.08023	2.0
159.11708	2.6
161.05939	1.5
161.09569	1.9
161.13226	5.0
163.11179	35.4
163.14774	2.6
165.09109	2.7
165.12711	1.5
167.10762	1.1
171.11668	1.3
172.08713	0.9
173.09624	3.3
173.13271	6.1
173.21461	0.8
174.99225	6.6
175.11205	11.9
177.00687	2.3
177.09065	2.1
177.12769	1.0
179.14314	17.0
181.12221	9.3
187.08028	1.3
187.14798	7.1
189.12801	1.5
190.76047	0.8
191.02304	1.7
191.07071	0.9
191.10527	1.2
191.14275	6.7
193.08627	2.2
193.12253	3.1
195.10138	2.1
196.08542	2.7
197.13303	1.8
205.08774	3.2
205.15826	3.9
205.59306	1.1
207.13834	3.4
215.14334	8.6
215.17781	1.3
217.09111	3.1
221.08063	1.6
221.10487	1.1
230.08067	3.7
230.58112	1.3
233.15367	41.5
233.18903	1.7
239.08636	6.1
239.58852	1.4
250.59369	2.2
251.06995	1.8
251.09250	3.7
251.16400	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	[2R-(2alpha,4aalpha,7alpha)]-1,2,3,4,4a,5,6,7-Octahydro-7-hydroxy-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03938	4.6
55.01863	4.5
55.05512	21.1
56.96564	3.1
57.03424	11.1
57.07066	3.4
59.05000	4.9
59.30132	2.2
67.05508	35.7
69.03410	8.2
69.07076	15.8
70.03033	9.4
71.04993	18.4
75.42466	2.2
77.03879	2.3
79.05482	32.6
81.03397	9.5
81.06579	4.1
81.07055	73.9
83.04978	31.9
83.08606	4.5
85.02903	24.5
85.06523	6.0
91.04962	3.5
91.05482	44.4
93.07044	82.6
95.04958	18.4
95.08615	32.2
97.02895	3.0
97.06527	11.5
98.20802	3.3
98.61510	2.4
98.97514	4.5
98.98460	100.0
99.04431	6.8
101.06001	4.5
105.04922	2.2
105.07029	94.3
107.04940	14.7
107.08591	48.1
109.06508	21.6
109.10160	19.6
111.04436	3.6
111.08082	18.7
113.06036	3.2
115.05469	3.3
117.07020	25.3
119.04921	4.6
119.08581	38.1
121.06493	22.0
121.10152	44.9
123.08073	12.5
123.11708	10.2
125.09599	4.5
127.07611	3.0
128.06174	4.0
129.06979	9.2
131.04929	3.1
131.08566	44.8
133.06483	9.7
133.10124	57.2
135.08040	12.8
135.11674	13.9
137.05939	3.5
137.09598	17.6
139.11130	3.7
141.07027	2.5
142.07761	8.2
143.08563	13.6
145.06458	8.6
145.10127	39.4
147.08083	23.0
147.11691	31.2
149.09621	11.0
149.13243	6.7
151.03896	5.0
151.07506	3.6
151.11179	9.1
153.12730	6.4
155.08557	5.7
157.10126	20.4
159.08098	11.7
159.11665	13.0
161.05898	4.5
161.09578	12.7
161.13243	12.9
163.07542	3.1
163.11180	22.4
163.14879	2.8
165.09187	2.5
167.10632	3.8
169.10170	2.7
173.09595	11.1
173.13249	16.8
174.99226	7.0
175.09726	4.2
175.11182	48.2
175.14861	4.6
177.00754	3.0
177.09016	3.2
185.13268	7.1
187.11241	6.3
187.14804	11.6
189.12714	4.8
191.07053	2.7
191.10680	3.1
191.14279	7.4
193.08618	6.1
193.12228	33.0
197.13203	8.1
203.14326	26.1
205.08737	3.1
205.12219	2.7
205.15875	5.9
215.14349	18.7
220.82191	2.5
221.08061	5.7
221.15347	30.9
233.08147	3.6
233.11664	5.6
233.15364	49.6
251.06937	5.6
251.10832	3.4
251.16418	94.5
251.20079	6.4
269.04132	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03934	1.5
55.01865	1.7
55.05263	2.3
55.05516	37.2
57.01430	1.3
59.05001	2.9
67.05508	11.0
69.03423	2.5
69.07073	100.0
71.04993	8.2
71.58823	2.5
73.23226	1.4
79.05502	7.4
81.03436	2.6
81.07063	16.2
82.04749	1.5
83.04986	76.3
85.06544	2.2
91.05490	13.7
93.07041	17.3
95.04987	9.8
95.08624	10.9
97.05910	3.1
97.06541	73.3
98.98473	94.8
99.04456	2.2
103.65732	1.3
105.07027	18.2
107.05008	1.4
107.08606	22.2
109.06509	8.0
109.10166	14.6
111.08119	1.5
116.99528	4.9
117.07034	4.3
119.08577	11.6
121.06541	3.6
121.10144	12.1
121.72836	1.2
123.08092	4.6
123.11706	6.4
125.05988	1.8
129.07001	2.6
131.08562	6.3
133.06575	1.9
133.10135	12.0
135.08107	1.5
135.11696	5.5
137.09572	2.2
140.01106	1.8
145.10129	7.8
147.08087	2.0
147.11691	5.5
149.06030	2.4
149.09631	3.0
149.13307	2.7
151.11183	7.9
153.12733	1.8
155.10628	6.9
157.10150	1.9
159.11719	6.3
161.06017	2.7
161.13274	4.6
163.11215	4.4
163.14961	1.6
165.12785	2.9
173.09622	1.9
173.13277	2.4
174.99214	4.9
177.05540	2.7
181.12306	2.9
182.33669	1.6
187.14873	4.0
189.05423	1.9
191.07120	1.8
191.10748	1.9
191.14354	1.6
193.08617	3.9
193.12198	1.4
195.11729	2.3
197.51781	1.5
201.16364	2.3
205.15840	1.6
207.11694	2.1
207.13831	1.4
209.08099	2.4
215.14290	3.5
215.17989	2.5
221.08067	1.6
233.07961	1.7
233.15358	11.7
251.10034	1.1
251.12596	3.9
251.16319	31.3
251.20143	3.6
252.12247	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	[1R-[1a(Z),6b]]-2-Methyl-3-methyl-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester
Peak:m/z	Relative Intensity
52.24788	0.9
53.03950	1.2
55.01871	1.7
55.05265	1.9
55.05509	24.4
56.96547	1.5
57.07058	2.2
57.97541	0.9
58.83325	0.9
59.04990	1.0
67.05508	8.8
69.03432	2.3
69.07063	5.2
71.04989	39.0
79.05486	8.3
81.07056	23.5
83.04978	27.6
83.08626	1.0
85.06509	0.9
91.05470	6.5
93.07037	8.5
95.04944	3.6
95.08609	9.6
97.06519	2.6
98.98462	100.0
103.05420	1.4
105.07041	7.2
107.08583	9.3
109.06536	6.7
109.10149	8.7
111.08108	0.9
116.53004	1.1
116.99481	4.0
117.06986	1.5
119.08559	3.4
121.06505	3.2
121.10133	4.6
123.08057	2.5
123.11702	17.0
131.08556	2.4
133.10123	5.9
135.07988	1.4
135.11674	2.9
140.01070	2.5
145.10115	3.5
147.11716	2.3
149.05975	3.0
149.09663	1.2
151.11179	20.0
161.13373	1.1
163.07550	1.5
163.11133	1.5
163.97716	1.1
165.07079	1.4
173.13234	1.3
174.99245	5.7
181.08551	1.9
191.14406	1.1
205.15747	1.3
205.98851	1.9
209.08073	3.7
209.20860	1.0
215.14297	1.1
221.13268	1.4
229.00293	1.0
233.15373	3.0
233.18771	1.2
251.10674	2.0
251.16200	9.9
251.20120	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	251.1641
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03932	2.9
55.01857	3.3
55.05512	19.0
56.12003	1.5
56.96571	1.5
57.07063	3.8
58.06592	3.8
63.67315	1.4
65.03893	1.2
67.05500	16.1
69.03429	3.0
69.07066	10.6
71.04993	39.2
71.59023	2.0
71.59412	1.8
79.05487	14.4
81.07052	40.5
83.04982	26.2
83.08604	3.8
91.05484	13.7
93.07051	13.4
95.04971	7.9
95.08610	16.7
97.06506	2.9
97.10181	2.5
98.98463	100.0
101.05943	1.3
105.07027	13.7
107.04962	2.4
107.08624	12.0
109.06514	6.8
109.10144	12.2
116.99502	3.8
117.07023	4.2
119.08584	7.9
121.06526	3.9
121.10143	6.5
123.08085	3.2
123.11713	20.6
125.09677	1.3
131.08563	7.3
133.10124	6.5
135.08063	1.7
135.11665	2.5
143.08559	1.9
145.10107	5.8
147.08008	2.1
147.11693	2.4
149.06007	3.5
149.09644	2.9
149.13235	1.9
151.11177	21.4
157.10106	1.9
159.11673	4.1
163.11176	1.8
169.10214	1.6
173.13309	2.7
174.99217	4.9
177.05576	1.9
181.08638	1.6
181.10115	2.0
187.14847	3.0
191.10680	1.9
191.14235	2.0
195.11726	3.2
205.15910	2.5
205.98802	2.1
209.08092	3.3
209.13327	3.3
221.13309	1.9
223.16910	2.8
233.15340	13.1
233.18939	1.7
251.16429	11.7
251.18291	5.3
251.20197	3.1
251.25743	3.5
252.26869	33.0
274.77841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Elongatol G
Peak:m/z	Relative Intensity
51.61193	0.6
53.03942	1.0
55.01872	1.0
55.05509	5.9
56.96561	2.3
57.03416	1.3
57.07064	1.8
61.07656	0.6
65.03924	0.8
65.76508	0.7
67.05506	9.9
69.03415	1.3
69.07061	5.6
69.47607	5.5
71.04994	5.3
73.93576	0.6
79.05481	6.0
81.03418	1.1
81.06581	1.3
81.07056	26.7
83.04976	5.6
83.08607	2.8
83.84862	0.7
84.96015	0.9
85.06535	2.1
91.05480	6.1
93.07047	12.6
95.04974	1.6
95.08057	1.1
95.08604	12.4
97.02905	1.5
97.06516	2.7
97.10135	1.1
97.99108	0.7
98.21516	1.2
98.97586	7.9
98.98454	33.7
99.04437	0.9
103.05470	0.9
105.07023	15.0
107.04930	0.8
107.08591	10.4
107.56905	0.7
109.02856	1.6
109.06532	4.6
109.10160	11.0
111.04468	1.2
111.08113	1.6
112.99136	1.1
116.98614	5.5
116.99451	1.7
117.07016	2.9
119.08573	9.9
121.06503	3.0
121.10133	10.0
123.08051	2.7
123.11707	8.5
125.06012	1.2
125.09602	1.0
127.07600	3.3
129.06999	1.3
131.00150	1.9
131.04965	0.9
131.08568	7.9
133.06482	1.8
133.10135	9.1
134.99652	2.2
135.08028	3.6
135.11684	4.9
137.09592	1.0
137.13255	2.7
139.07533	1.7
139.11148	2.3
142.07777	1.4
142.58238	0.7
143.08551	2.7
144.09232	0.7
145.06485	1.8
145.09042	1.1
145.10118	12.8
147.08046	2.4
147.11690	8.0
149.01224	2.4
149.09615	3.1
149.13263	2.0
151.07538	1.1
151.11214	1.5
153.12759	4.8
155.08597	1.4
156.09354	2.2
157.10066	2.7
158.07237	0.7
158.99648	2.2
159.08049	2.9
159.11682	5.2
160.97600	0.7
161.05945	1.0
161.09599	5.1
161.13242	2.2
163.03915	0.7
163.11218	1.8
167.08516	0.7
169.10089	2.5
170.49210	0.7
171.07956	0.8
171.11668	1.5
173.01221	2.5
173.09613	5.5
173.13257	2.8
174.10364	1.1
174.99226	1.9
175.11159	8.1
175.14827	1.5
177.00728	4.5
177.09117	1.6
177.12717	1.0
179.10696	3.1
179.17990	1.1
182.10854	1.6
185.09703	0.8
187.11188	3.0
187.14801	5.4
189.12741	1.3
191.02246	3.7
191.07016	0.9
191.10689	1.4
191.14261	0.9
191.17923	0.7
193.08638	0.7
193.12242	2.0
197.13260	1.8
201.00658	1.0
202.98639	1.6
203.14293	8.8
205.12260	0.7
205.15872	2.5
207.13835	2.8
215.14314	9.1
215.17865	1.3
219.01765	1.9
221.15240	1.1
233.11728	0.9
233.15350	9.6
233.18973	2.0
244.99722	2.8
251.06966	1.5
251.16422	100.0
251.20029	4.0
252.12236	1.2
252.16829	0.8
263.00723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Heterophyllol
Peak:m/z	Relative Intensity
53.03939	1.6
55.05503	3.3
57.03422	1.8
57.07071	1.1
59.05003	24.3
67.05512	5.1
67.49758	0.8
69.03422	2.0
69.07082	3.9
70.95633	0.8
70.95971	1.3
71.01339	1.1
71.04993	13.9
71.12077	0.7
73.06554	7.7
79.05482	5.0
81.03383	0.8
81.07057	18.3
83.04977	1.8
83.08647	1.2
85.02876	1.0
85.06525	2.2
91.05479	6.5
93.07040	14.9
94.07362	1.1
95.04963	1.8
95.08618	7.8
97.02868	1.2
97.06535	6.3
98.98465	34.2
105.07021	6.8
107.08595	25.0
109.02915	1.0
109.06494	2.9
109.10146	10.2
111.08070	3.2
116.99447	0.8
117.06958	1.2
119.08582	8.7
121.06479	2.0
121.10147	10.3
123.08077	5.9
123.11702	8.2
127.07513	2.4
127.97823	0.7
129.44475	0.7
131.08560	5.9
133.06514	1.5
133.10124	7.0
135.04390	0.7
135.08063	2.9
135.11699	25.0
136.12065	0.8
137.09618	4.6
137.13211	1.8
139.11172	0.9
142.07780	2.1
143.08569	1.6
144.09305	1.0
145.06496	1.3
145.10114	8.3
147.08020	2.0
147.11699	6.5
149.09625	3.4
149.13148	1.2
151.07451	1.1
151.11183	6.8
153.12744	45.6
154.13152	1.2
156.09334	2.2
157.10144	4.1
158.10875	2.1
159.08051	2.2
159.11690	2.5
160.08804	1.3
161.05977	1.1
161.09619	3.1
161.13257	4.2
162.13997	0.9
163.11067	0.9
163.14816	3.6
169.10173	1.1
171.11723	2.3
173.09662	6.1
173.13272	13.7
174.99171	1.4
175.11197	25.7
177.09102	1.2
179.10657	2.2
179.14325	12.1
181.15880	2.3
187.11182	1.1
187.14818	5.3
189.12750	7.2
190.13495	2.8
191.10799	1.5
191.14320	11.3
193.08595	1.7
197.13316	1.4
205.12244	7.1
205.15965	1.9
207.13867	3.8
215.14340	17.3
233.04498	0.9
233.15358	22.2
233.18954	1.2
251.10518	3.2
251.16422	100.0
252.09734	0.8
252.12267	3.3
252.16534	1.5
274.35077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Hebelophyllene H
Peak:m/z	Relative Intensity
53.00296	1.6
53.03921	1.7
53.88487	1.6
55.01873	1.8
55.05267	1.5
55.05515	21.3
56.96546	3.4
57.07057	5.6
59.05005	3.5
63.46705	1.1
67.05504	35.2
69.07065	9.1
71.04992	36.3
71.57443	1.4
71.57816	1.9
79.05492	15.1
81.03400	1.5
81.07058	53.4
83.04980	23.2
83.08609	5.6
85.06556	3.1
91.05488	10.1
93.07048	15.4
95.04949	3.4
95.08607	33.6
97.06511	5.2
97.10146	1.8
98.98466	100.0
99.08112	1.2
105.07030	8.0
107.04926	1.3
107.08588	17.1
109.06492	3.9
109.10159	23.5
111.08065	2.4
115.13208	1.1
116.99487	4.0
117.07040	2.2
119.08590	7.6
121.06474	1.6
121.10155	11.5
123.08057	3.0
123.11702	25.4
125.09654	1.5
131.08536	4.6
133.10132	12.0
135.08086	2.2
135.11697	8.0
137.09628	3.1
140.01051	3.0
143.08603	1.6
145.10114	4.7
147.11681	3.8
149.02338	16.3
149.09683	1.3
149.13272	3.5
151.07529	1.5
151.11180	24.8
152.35185	1.2
153.12724	1.4
159.11697	3.2
163.11221	1.9
163.97812	1.6
165.68481	1.1
167.08475	1.4
173.13260	1.4
174.99207	5.8
175.11116	1.6
177.05421	3.8
187.14842	1.6
191.07155	1.2
191.14279	1.8
195.11714	1.6
195.13731	1.3
205.98749	2.8
209.13269	2.5
215.17986	6.8
233.15327	5.1
233.19070	6.6
245.95847	1.4
251.10815	1.7
251.14188	1.9
251.16258	17.3
251.20122	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	251.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23486	0.6
53.00312	1.0
55.05497	1.6
56.96576	0.8
59.04980	2.2
65.03944	0.8
67.05498	2.0
69.07052	2.0
70.14574	3.3
71.04994	32.3
73.06532	2.4
74.02431	2.9
79.05482	3.3
81.07056	20.7
83.04964	1.0
84.08143	0.7
88.03996	3.2
91.05476	8.7
93.07044	14.3
95.08604	3.2
97.06510	4.8
98.98463	10.7
105.07091	1.2
107.08598	9.1
109.10159	2.1
111.08056	2.3
113.87740	0.8
116.03451	1.3
123.11702	8.0
134.04471	6.9
135.11684	22.5
147.04411	1.4
153.12744	100.0
154.13104	1.4
158.25136	0.6
251.10619	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	251.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.05506	1.5
57.03430	4.7
57.07071	1.8
59.05002	1.8
60.04518	1.4
62.36163	0.9
66.31517	1.0
66.37273	0.9
67.05498	2.6
69.03426	4.4
69.07055	4.5
71.04996	65.7
71.37221	1.6
71.37547	2.0
72.08161	2.6
73.06548	2.3
79.05495	3.2
79.33266	1.0
81.03421	100.0
81.07050	12.8
84.04504	1.5
85.02898	10.3
89.06037	5.7
91.05491	3.3
91.23683	1.0
93.07053	9.8
95.08603	5.0
97.02875	1.6
97.06535	4.9
98.98470	50.7
99.04465	7.9
105.07085	1.7
107.08598	6.9
109.02884	93.6
109.10152	3.3
111.08124	1.3
116.99475	1.5
123.11720	7.2
127.03938	12.7
135.11678	12.5
136.06189	42.3
145.04953	1.8
153.12750	55.9
163.06111	2.0
174.99220	1.4
205.00642	1.2
215.09167	2.1
233.10239	10.0
251.11021	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	251.1641
Annotation	[1R-[1a(Z),6b]]-2-Methyl-3-methyl-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester
Peak:m/z	Relative Intensity
52.74992	1.5
53.03931	3.2
55.05265	1.9
55.05510	24.8
56.96541	2.1
57.07069	3.4
67.05492	10.5
69.03417	2.0
69.07062	4.0
69.64614	11.4
71.04990	50.7
79.05489	10.1
81.07053	33.7
82.78937	1.6
83.04979	27.6
91.05464	7.4
92.92262	1.5
93.07056	8.0
95.04977	11.2
95.08611	10.3
98.98461	100.0
100.56413	1.7
105.07027	5.5
107.08604	14.7
109.06504	6.6
109.10135	7.6
116.99475	3.5
117.07030	2.0
119.08582	3.6
121.06466	2.2
121.10145	6.3
123.08059	4.1
123.11701	31.8
123.12569	2.4
131.08627	2.1
133.10104	7.3
135.11697	2.7
145.10130	3.0
151.11185	30.6
174.99251	5.0
181.08589	2.6
195.11681	3.5
205.98781	2.0
207.11641	2.1
209.13251	2.8
221.13351	1.8
229.00470	1.9
233.15294	2.0
251.16293	7.5
251.18060	7.0
251.20274	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	251.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.0
55.05516	2.0
57.07061	2.4
59.04983	1.9
67.05487	3.6
69.07065	5.9
71.04591	1.9
71.04990	40.2
71.49518	1.1
73.06531	3.9
78.01719	1.1
79.05485	5.7
81.06583	1.3
81.07054	25.8
83.08592	1.4
91.05453	3.2
93.07043	24.9
95.04932	2.2
95.08609	6.5
97.06513	7.6
98.98466	13.4
105.07043	1.6
107.08587	18.7
109.06519	1.0
109.10166	6.1
111.08055	3.9
116.50507	1.2
117.26381	0.9
123.11683	11.7
135.11685	32.1
136.06184	1.2
136.11957	1.3
147.04448	1.8
153.12741	100.0
154.13042	1.2
163.03894	1.1
249.02991	0.9
249.56975	1.1
251.10469	2.6
251.13013	0.9
271.57959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.7
56.96540	2.2
64.82906	1.6
65.03929	1.5
67.05502	4.9
69.07069	7.5
71.04993	6.7
74.52071	1.5
79.05498	10.8
81.07054	8.7
91.05485	18.9
93.07047	100.0
95.04933	3.5
95.08619	7.0
97.06531	8.6
98.98465	23.3
105.07027	6.6
107.08596	58.0
109.06479	3.3
109.10138	5.2
111.08093	1.7
114.60670	1.4
119.04943	3.6
123.11739	3.4
135.11691	77.4
141.60936	1.4
147.04393	11.8
153.12733	21.9
160.84061	1.4
231.01811	2.0
249.02933	2.0
251.17545	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	251.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63487	1.2
52.81791	1.4
54.15993	1.3
55.05501	3.4
57.03497	1.1
59.05004	2.0
59.39877	1.2
67.05505	4.6
69.07061	3.8
69.53822	2.8
69.54230	7.4
71.04998	43.8
73.06561	3.9
76.31945	1.2
79.05500	5.7
81.06597	1.9
81.07066	27.5
83.08612	1.2
91.05524	6.0
93.07050	39.0
95.08625	5.7
95.52236	1.2
97.06541	21.3
98.98482	15.4
105.07030	2.1
107.08595	23.7
109.10165	5.6
111.08102	3.8
123.11717	13.5
135.11702	39.2
151.98047	1.3
153.12756	100.0
154.13168	1.6
169.91393	1.3
251.06895	1.4
251.10567	2.9
251.28580	1.4
268.25394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
55.05505	5.1
57.03437	1.4
57.07069	1.7
59.05001	2.3
59.53573	1.2
67.05512	5.5
69.03427	1.5
69.07068	7.4
69.29727	1.1
71.04993	34.9
71.11008	3.5
73.06551	2.9
79.05486	7.2
81.07059	26.2
83.08626	1.4
91.05476	13.3
93.07047	33.8
95.04963	1.9
95.08607	6.7
97.02890	1.4
97.06528	9.8
98.98467	40.9
105.07055	3.5
107.04973	1.8
107.08595	20.7
107.54888	1.1
109.06534	3.0
109.10143	4.8
111.08081	5.3
117.06931	1.2
119.08546	2.6
119.75195	1.2
120.08092	3.4
121.06541	1.4
121.10152	1.7
123.11720	9.9
125.06033	1.3
131.08546	1.7
133.06479	1.2
133.10159	1.4
135.11694	40.1
144.06364	1.3
145.10114	2.7
147.11732	1.6
153.12743	100.0
156.31984	1.3
156.98665	1.2
159.11739	1.1
174.99269	1.6
175.11209	1.4
177.12837	1.9
191.08667	1.2
206.08167	3.2
221.78238	1.3
222.75481	1.5
233.15305	1.5
251.10754	5.8
251.16301	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	251.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78708	2.1
51.49994	1.6
52.38644	2.0
55.05500	3.7
57.07069	3.5
67.05489	3.0
67.58294	2.2
69.07047	7.6
71.04649	3.1
71.04993	38.5
71.34177	3.7
73.06544	3.5
75.93890	2.1
79.05486	12.9
81.07052	25.6
91.05475	13.5
93.06477	3.5
93.07037	59.9
95.04966	4.5
95.08591	8.1
97.06524	15.6
98.97863	3.4
98.98465	43.2
105.07038	3.9
107.08596	51.2
109.10188	5.0
111.08060	3.3
119.08532	3.7
123.11689	12.5
135.11691	63.8
135.63947	2.2
153.12740	100.0
233.09474	3.7
251.10501	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	251.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.05513	1.4
57.03417	2.5
59.05000	2.3
65.52670	1.0
67.05490	2.6
69.03431	1.8
69.07051	4.4
69.07385	1.3
70.06574	1.2
70.94786	2.1
71.04993	63.6
72.08141	2.2
73.06542	2.4
73.52660	1.2
79.05495	4.0
81.03415	63.5
81.07056	21.8
83.08603	1.3
85.02898	7.6
89.06026	2.5
91.05470	3.0
93.07038	14.8
95.04940	1.4
95.08604	5.8
97.06555	6.1
98.98470	31.7
99.04459	5.5
107.08582	9.1
109.02880	66.9
109.10139	3.6
111.08052	3.5
115.67312	1.2
116.99489	1.9
123.11707	9.5
127.03902	8.0
135.11691	22.0
136.06189	11.8
137.04684	1.1
145.04959	3.0
153.12744	100.0
154.13080	1.8
163.06020	1.2
174.99248	1.8
191.19603	1.3
233.10176	6.9
251.10707	2.0
251.20007	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.2
57.07074	1.7
59.05000	5.1
67.05511	6.8
69.07072	8.0
70.74516	1.0
71.04993	35.7
71.59208	1.4
71.59563	1.6
73.06556	2.0
76.04654	1.2
79.05503	9.7
81.07062	27.9
81.26878	1.3
83.08620	1.5
90.88564	1.2
91.05473	6.1
93.07043	28.4
94.07368	1.4
95.04993	2.2
95.08607	12.4
97.06536	14.5
98.98470	68.1
100.09980	1.2
105.07034	4.9
105.41039	1.2
107.08598	23.4
109.06545	1.7
109.10167	8.1
111.08086	4.1
116.99522	2.5
119.08604	2.4
121.10149	3.4
123.11723	13.6
128.53432	1.2
131.08554	1.7
133.10147	2.1
135.11694	40.5
145.10135	4.1
147.11676	1.4
149.09645	1.4
153.12747	100.0
163.07640	1.2
170.14420	1.2
174.99281	3.6
175.11319	1.3
180.07217	2.1
209.13361	1.3
233.11819	1.2
233.15469	2.0
238.25848	1.2
251.10518	5.2
251.16438	3.6
251.20178	2.8
252.09322	1.5
252.12267	1.5
272.43387	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05509	4.3
56.96552	1.3
57.03437	4.1
61.02919	4.0
69.03435	12.3
70.06583	2.5
71.04997	1.6
71.41299	1.3
72.12337	0.9
73.02910	1.9
81.03424	4.4
85.02361	1.1
85.02905	71.3
88.07629	100.0
91.03947	1.2
97.02889	11.8
98.97563	0.8
98.98463	20.6
99.04455	2.8
107.55458	0.8
109.02865	6.8
116.99491	1.0
127.03915	13.0
131.34840	1.0
140.51927	0.9
145.04956	8.0
163.06075	1.2
174.99220	1.6
175.50029	0.8
178.54066	1.0
232.14200	1.6
250.12872	1.8
250.15137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
56.96558	2.7
57.03434	1.6
61.02918	2.2
69.03428	4.6
69.70248	1.9
69.70676	2.6
70.06596	3.2
71.05009	1.1
73.02899	1.7
81.03405	1.0
81.07053	1.5
85.02908	17.1
86.09706	1.0
87.04459	1.2
88.07635	100.0
91.05497	1.8
93.07057	1.3
95.08630	0.9
97.02888	3.5
98.98473	38.0
102.04247	0.7
105.07074	0.8
107.08568	0.9
109.02897	2.7
116.98672	1.6
116.99545	1.9
119.04967	1.0
121.06533	2.1
123.08050	0.9
125.07537	0.7
127.03918	6.8
130.04996	0.9
130.72031	0.7
134.99710	1.0
136.06194	11.3
137.02922	0.9
140.01225	0.7
145.04962	1.3
146.99689	1.4
147.04425	4.8
149.01222	0.7
153.12807	1.9
153.45117	0.8
161.01170	1.7
161.02994	0.7
174.99271	1.9
182.99820	0.8
201.00705	3.3
219.01727	1.4
232.14134	1.5
234.99466	0.7
237.02846	0.8
239.05074	0.8
250.09308	1.1
250.12880	1.7
250.21790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	1.0
57.03449	0.8
67.01871	1.6
69.07101	0.5
70.06587	0.5
70.41316	1.6
79.05518	0.4
81.03447	0.5
81.07064	1.0
85.02895	0.9
88.07633	0.7
91.05507	0.4
93.07059	0.5
98.97537	0.7
98.98476	13.6
98.99131	0.7
116.99529	0.8
118.02518	0.4
119.03574	0.4
119.04949	0.6
121.06528	0.4
130.07399	0.4
132.20598	0.4
136.06195	100.0
138.06468	0.4
147.04442	2.3
162.07813	0.5
163.03941	0.6
174.99225	0.8
177.22574	0.4
206.13892	0.4
232.14224	2.0
249.02834	0.8
250.09349	16.1
250.12883	1.3
250.15132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2213
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
51.02372	0.9
51.80269	0.8
53.03944	15.0
55.01859	3.8
55.05509	24.8
55.56854	0.8
56.20407	0.8
57.03454	1.8
57.07070	5.5
59.04999	2.2
65.03933	1.3
67.05502	37.0
68.55502	1.0
69.03417	3.1
69.07064	28.3
69.93773	1.2
69.94093	5.2
71.04978	3.7
71.08624	1.5
79.05486	17.9
81.03414	50.5
81.07054	35.9
83.04977	13.1
83.07468	0.8
83.08619	6.3
83.22727	0.8
83.46401	0.8
85.06533	1.4
85.10185	2.6
91.05474	10.4
93.07046	16.7
95.04966	23.4
95.08052	1.6
95.08604	20.0
97.06525	2.8
97.10156	8.4
99.08109	1.2
101.89486	0.8
105.07032	13.2
105.81404	0.8
107.08589	11.9
109.06528	8.1
109.10152	12.6
111.08046	1.7
113.09595	1.9
117.06986	1.5
119.08586	6.5
121.10143	8.7
123.08080	2.6
123.11689	5.9
125.09624	3.6
129.07079	1.2
131.08530	1.6
133.10130	14.0
135.11697	5.2
137.09589	2.0
137.13264	2.0
143.08527	2.2
145.10104	3.4
147.07956	1.2
147.11679	4.5
149.13246	2.6
151.11179	28.0
153.12863	1.8
157.10088	1.0
161.13272	4.5
163.14859	2.5
165.12729	6.6
165.16507	1.2
171.11656	0.9
173.09639	1.1
175.11263	1.2
175.14818	2.5
177.16350	1.7
179.14348	5.6
185.13199	2.9
187.07275	0.8
189.12735	1.1
189.16339	1.4
191.10573	0.9
191.17984	2.6
193.12221	1.8
193.15823	2.4
203.14362	2.2
207.13750	1.3
213.12672	1.2
222.14359	0.9
231.13808	7.3
231.17497	1.0
231.20972	7.5
237.83286	0.8
249.03922	1.6
249.14970	2.9
249.18558	5.1
249.22131	100.0
250.22461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03932	5.1
55.05516	18.9
56.96550	1.6
57.07080	3.5
59.04996	3.0
67.05172	2.4
67.05505	31.9
69.07069	22.8
71.04985	4.2
71.28539	1.7
71.33297	2.7
73.06550	1.6
79.05494	93.4
81.03421	2.5
81.07056	40.7
83.04971	4.3
83.08631	9.9
85.06530	3.9
87.97214	1.5
91.05479	42.4
93.07047	100.0
95.04980	11.3
95.08601	26.4
97.06518	5.3
97.10151	1.6
105.04494	1.7
105.07036	29.2
107.08601	45.3
109.06514	3.7
109.10150	14.1
117.07013	7.5
119.08579	25.9
121.06533	1.7
121.10137	54.5
123.08060	5.9
123.11693	3.2
124.71023	1.6
128.15640	1.5
129.07021	6.0
131.08545	7.7
133.10141	30.9
135.08041	2.1
135.10683	2.3
135.11696	41.6
143.08566	6.4
145.10126	9.3
147.08023	4.1
147.11690	25.5
149.09608	3.0
149.13257	9.4
157.10133	6.7
159.11688	4.1
161.09596	5.8
161.13214	2.5
163.11166	1.4
165.09145	2.2
167.10625	2.0
171.11714	9.1
175.11185	4.9
179.10663	2.9
185.13263	2.9
187.14803	3.6
189.12776	5.5
189.16399	9.8
193.12193	4.8
195.09842	1.4
203.14328	4.3
203.17946	7.0
207.13803	6.9
208.58928	1.9
213.16348	13.6
231.13799	3.8
231.17453	9.2
249.14734	3.5
249.18506	93.9
256.50574	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
52.02190	1.1
52.07555	1.0
53.03948	5.7
55.01872	6.3
55.05265	1.5
55.05510	22.8
56.55816	1.2
56.96564	9.1
57.03421	1.9
57.07066	4.1
59.04985	3.5
65.03930	2.8
67.05503	54.0
69.03433	7.9
69.07066	19.9
71.04991	2.3
71.08618	2.1
71.57838	1.7
71.63946	1.3
77.03904	1.4
79.05491	70.2
81.03433	6.5
81.07054	52.1
82.86423	1.1
83.04977	5.8
83.08616	16.8
85.02923	6.5
85.06539	3.5
91.00829	1.0
91.05481	40.4
93.07043	76.0
95.04964	20.9
95.08604	51.7
97.02895	3.2
97.06522	6.7
97.10168	14.0
99.04459	1.4
99.08088	2.5
105.01862	1.1
105.03387	5.6
105.07030	21.7
107.04950	5.3
107.07862	2.6
107.08593	48.7
109.02866	2.4
109.06496	5.0
109.10152	22.7
111.08064	5.0
111.11675	1.4
113.09622	1.4
115.05454	2.6
116.06203	1.5
117.07007	9.4
119.04939	3.0
119.08582	29.7
121.06468	5.7
121.10139	68.7
123.04420	4.2
123.08080	6.2
123.11713	10.8
125.09606	4.8
126.24683	1.1
127.03911	4.8
128.06213	3.2
129.06996	11.2
131.04922	1.6
131.08589	15.1
133.06465	4.6
133.10130	23.8
135.04388	1.3
135.08072	6.5
135.11693	22.6
137.05927	1.1
137.09615	13.2
137.13237	3.8
139.07550	1.9
139.11197	1.2
141.06993	2.3
143.08545	4.5
144.05717	2.0
145.06464	2.7
145.10121	9.8
146.07220	1.4
147.04343	1.6
147.08025	8.2
147.11665	14.4
149.05960	2.1
149.09660	8.3
149.13228	4.3
151.11162	4.9
151.14789	1.7
153.09090	4.5
156.09332	1.5
157.06454	3.4
157.10181	6.2
159.08014	5.1
159.10269	1.1
159.11682	5.0
161.05968	2.6
161.09575	5.2
161.13316	6.8
163.11145	1.3
165.09059	1.8
165.12645	1.6
167.10638	5.4
169.10088	1.2
170.07242	1.7
171.08043	2.2
171.11679	5.4
173.09576	2.7
175.07579	2.8
175.11168	2.4
175.14859	2.3
177.12846	1.6
179.10583	1.2
185.13258	9.3
187.07504	3.6
187.14764	2.0
188.63577	1.5
189.05515	1.8
189.09126	2.9
189.12720	3.4
189.16249	2.5
191.10678	3.1
193.08623	1.5
195.11707	2.1
203.07007	2.1
203.10709	1.6
203.14311	5.1
203.17960	29.3
204.07797	2.8
205.09953	2.4
205.12230	2.3
205.19540	1.2
207.60072	1.9
213.12729	7.2
213.16278	7.1
216.60640	4.4
221.11682	1.4
221.15437	1.3
221.18971	3.0
225.61183	3.1
226.11227	1.6
231.10185	2.1
231.13835	19.4
231.17416	13.4
231.21135	1.5
249.09019	1.4
249.11238	22.4
249.14873	23.7
249.18498	100.0
249.22047	6.5
249.25641	7.7
250.15262	1.6
250.18886	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	249.1849
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02357	1.5
53.03933	5.7
55.01857	5.1
55.05510	23.6
56.80240	1.5
56.96550	3.7
57.03416	4.8
57.07055	5.9
59.04988	2.3
61.02895	1.6
67.05173	1.8
67.05502	27.6
68.99791	1.4
69.03427	53.2
69.07063	33.9
70.19991	3.3
70.20387	3.4
70.23609	1.5
71.04985	7.9
72.59602	1.2
73.02904	2.8
79.05483	23.8
81.03412	17.3
81.07057	22.3
83.04981	34.3
83.08616	11.1
85.02900	28.9
85.06538	60.7
87.00827	15.0
91.05473	27.5
93.06472	2.6
93.07040	38.5
95.04961	5.5
95.08604	44.6
97.02880	20.2
97.06536	6.9
98.20863	1.6
99.04461	14.3
99.08068	2.6
101.02370	1.4
103.05464	2.1
105.01859	6.8
105.07024	55.3
106.07748	1.5
107.04958	6.6
107.08584	32.1
109.02872	12.6
109.06493	7.9
109.09454	2.0
109.10139	23.5
111.08068	15.9
115.05489	1.8
117.07024	7.5
119.04918	4.3
119.08574	99.2
121.06516	7.9
121.10136	51.5
121.11018	2.7
122.07261	15.6
122.82486	1.4
123.08088	7.7
123.11699	4.2
125.05898	1.3
125.09632	10.5
127.03908	22.7
127.07526	1.7
128.06241	2.3
129.07004	3.6
130.07745	2.7
131.08577	8.3
132.09354	2.6
133.06497	10.4
133.09119	2.0
133.10129	40.9
133.12140	1.8
135.08029	4.7
135.11694	6.8
137.09608	100.0
138.09991	1.6
139.11125	3.2
142.07768	3.8
143.08557	8.1
145.04968	2.8
145.10117	16.2
147.08035	19.0
147.11681	71.1
149.09630	8.3
149.13237	4.5
151.11172	3.7
156.09346	4.0
157.10114	12.0
159.08110	1.6
159.11670	4.8
160.08820	2.2
161.09599	8.5
161.13229	10.5
163.11139	14.2
163.14709	1.8
165.09045	3.9
165.12721	13.0
170.10892	3.1
171.11649	10.7
173.09615	2.2
173.13240	4.3
175.07500	2.1
175.11176	28.8
175.14804	11.8
179.10680	3.8
185.13231	8.6
187.14780	7.8
189.09175	2.0
189.12781	11.5
189.16380	20.6
190.13464	3.8
193.12225	5.2
203.14282	15.6
203.17934	7.7
205.15913	3.0
207.13573	1.6
207.17366	3.0
213.12738	2.4
213.16393	8.6
229.12674	2.5
231.05045	3.0
231.13849	14.3
231.17409	34.4
249.03865	2.0
249.11183	4.4
249.14688	7.5
249.18486	77.0
250.18718	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1488
Annotation	Hypnophilin
Peak:m/z	Relative Intensity
55.05511	8.0
55.86413	1.7
56.96549	3.2
57.07067	3.6
59.04984	4.7
63.49186	1.3
67.05486	5.8
69.03408	3.2
69.07073	11.9
71.39751	1.5
71.60121	1.9
71.60562	2.5
79.05473	5.0
81.07066	14.8
83.04948	2.3
83.08621	3.5
85.02883	3.4
85.06515	1.9
91.05488	7.1
93.03391	2.1
93.07053	9.6
95.04945	4.1
95.08611	16.0
97.02917	1.7
105.07030	11.9
107.08613	9.4
109.02849	1.8
109.06501	6.5
109.10165	5.2
111.04424	5.7
113.02374	9.0
113.96437	2.2
117.07043	2.2
119.08595	15.1
121.06478	3.4
121.10140	21.6
123.04415	4.3
123.08090	9.0
127.21836	1.5
128.06253	2.8
129.07028	2.0
131.08559	2.9
131.97447	2.0
133.06464	3.4
133.10115	6.2
135.08041	4.4
135.11769	2.0
137.05948	6.9
137.13234	6.8
142.07794	1.5
143.08534	5.4
145.10098	5.8
147.08063	4.9
147.11658	3.3
149.05984	2.6
149.09560	1.8
151.07527	5.0
157.10112	4.5
159.08098	2.9
159.11685	3.8
161.05971	10.2
161.09607	5.8
161.13228	3.6
162.06793	8.6
163.07555	2.4
171.08009	2.2
173.09596	3.1
175.07542	13.5
175.14804	2.0
179.07051	48.1
185.13318	8.4
185.14656	1.6
189.09100	3.7
189.12698	5.5
189.16487	1.5
191.10631	2.6
193.08598	4.8
195.11557	2.4
198.10435	2.3
203.14281	6.7
213.12756	8.6
231.13818	94.2
232.13972	1.9
234.13629	1.9
249.12863	4.1
249.14838	100.0
249.18578	6.9
256.27884	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Lyratol D
Peak:m/z	Relative Intensity
53.03934	1.2
55.01857	2.2
55.05511	4.6
56.96548	1.3
57.03429	1.9
57.07074	1.7
59.04993	2.4
67.05502	4.8
69.03429	7.9
69.07063	2.9
69.48522	1.8
69.48933	5.7
71.04995	6.9
73.02930	1.0
77.13569	0.9
79.05489	7.1
81.03416	4.4
81.07050	8.4
83.04992	5.1
85.02898	5.1
85.06563	2.2
87.00853	1.2
88.84780	0.8
91.05494	11.2
93.07047	8.4
95.04969	8.0
95.08615	5.2
97.02891	3.4
97.06535	2.8
98.20776	2.0
98.97575	2.9
99.04475	4.9
103.05458	1.0
105.07036	13.1
107.04927	1.9
107.08607	11.3
109.02893	2.3
109.06547	4.2
109.10105	2.0
111.04434	1.6
111.08099	1.7
113.05986	1.2
115.05447	3.7
116.98671	1.6
117.07041	4.7
119.08591	10.8
121.02892	1.0
121.06520	5.6
121.10158	5.0
123.04414	2.4
123.08065	3.3
123.80265	1.1
127.03922	3.4
128.06238	1.6
128.44891	0.8
129.06973	4.3
131.04959	1.5
131.08598	4.7
133.06512	3.8
133.10132	7.3
134.99602	1.0
135.08058	100.0
135.11673	1.6
137.05954	1.4
137.09612	1.4
139.07555	2.2
142.07779	1.8
143.08574	6.8
145.06503	2.8
145.10115	10.5
147.04466	1.4
147.08052	6.7
147.11714	4.0
149.06013	1.3
149.09613	7.6
151.03908	2.6
151.07590	2.6
151.11201	1.1
157.06535	1.1
157.10101	4.8
158.07280	2.1
159.08070	3.2
159.11696	4.5
161.06001	2.0
161.09569	4.8
161.13272	3.7
163.07584	4.4
163.11205	2.3
167.21184	1.0
170.10973	1.0
171.08099	1.9
171.11705	3.3
172.08775	1.3
173.05930	1.2
173.09676	4.7
173.13266	1.5
175.07571	3.8
175.11206	3.5
175.14879	1.1
177.00703	2.1
177.05539	1.6
177.09068	1.3
179.06953	1.0
185.09665	1.9
185.13278	7.5
187.04147	0.9
187.07658	1.2
187.11160	2.1
189.09119	4.0
189.12814	4.6
191.10664	2.7
194.09346	7.6
201.12831	2.6
203.06976	2.1
203.10661	2.2
203.14328	4.5
205.12238	17.4
207.02945	2.1
207.13795	1.5
213.09015	1.0
213.12741	3.7
219.06450	1.0
219.09584	0.9
219.13760	4.2
231.06573	1.1
231.10178	2.1
231.13771	21.1
231.17227	1.2
249.07520	6.4
249.11273	4.9
249.14784	26.9
249.18507	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	249.1486
Annotation	CHEBI:67422
Peak:m/z	Relative Intensity
53.03931	1.7
55.01871	1.5
55.05512	7.4
57.07071	4.4
58.10539	0.6
59.04983	1.0
64.90379	0.6
65.03922	1.0
67.01865	6.8
67.05505	20.7
69.03429	13.8
69.07065	4.8
70.58714	1.8
70.59064	0.8
79.05493	10.2
81.03406	2.0
81.07055	17.8
82.98994	0.7
83.04970	6.7
83.08607	4.3
85.02908	1.3
85.06531	1.3
87.00826	0.6
91.05479	20.0
93.07048	13.3
95.04964	19.0
95.08051	1.3
95.08602	16.6
97.02869	1.0
97.06517	1.8
97.10172	3.2
103.05410	0.8
104.06290	0.7
104.19820	0.8
105.03382	1.1
105.07032	10.5
105.95172	0.7
107.04956	2.2
107.08591	8.8
109.02867	4.6
109.06493	4.6
109.10162	11.1
110.07361	0.7
111.04435	5.2
111.08066	3.2
111.11684	1.0
115.05449	0.9
116.06232	2.5
117.07031	3.6
119.04964	2.6
119.08582	31.9
121.06519	5.9
121.10120	6.6
123.04376	1.4
123.08069	2.0
123.11684	3.9
125.05973	1.0
125.09557	1.0
127.03913	1.2
128.06236	1.2
129.06999	4.0
131.08514	3.8
132.05708	1.3
133.06516	3.6
133.10126	8.1
135.08072	5.8
135.11674	2.6
137.05939	1.6
137.09625	5.7
137.13237	1.4
143.08572	2.4
145.10101	4.2
147.08044	100.0
147.11714	4.4
148.08377	1.1
149.09625	3.6
149.13225	0.7
151.07536	1.1
151.11162	0.8
153.09103	1.2
156.09340	1.6
157.10159	2.4
159.08063	1.3
159.11600	0.8
161.06023	2.1
161.09612	4.0
161.13304	5.1
163.03877	1.1
163.07558	1.0
165.05507	1.1
165.09059	1.2
167.10713	0.9
170.10909	1.2
171.08076	0.9
171.11696	4.0
173.09576	0.8
175.07559	12.3
175.14859	2.1
179.07048	0.8
180.09352	1.0
185.13298	5.0
189.09103	2.4
189.12717	7.4
195.11690	1.0
198.10397	0.7
203.14325	6.7
203.17970	12.6
213.12737	6.6
221.19011	1.2
231.13797	25.7
231.17361	1.2
231.21089	1.2
249.11253	2.3
249.14841	20.6
249.18492	6.0
249.22273	5.8
249.25298	4.2
250.15599	0.7
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	CHEBI:67422
Peak:m/z	Relative Intensity
53.03944	2.4
53.79776	0.5
55.01865	0.8
55.05499	2.7
55.46540	0.5
56.28838	0.6
56.96573	0.6
57.03437	0.9
57.07067	2.3
65.03945	1.1
67.01864	7.0
67.05504	14.4
68.99783	0.8
69.03426	15.0
69.07059	2.4
70.91132	1.6
71.04977	0.9
73.02918	0.7
75.29345	0.6
77.03948	0.7
79.05494	5.7
81.03419	3.0
81.07055	7.0
83.04968	7.1
83.08604	2.3
85.02898	2.8
85.06498	1.0
89.99928	0.5
91.05484	18.8
93.07048	10.6
95.04964	16.9
95.08608	6.7
97.02905	1.9
97.06528	0.7
98.97574	2.3
99.04429	1.2
103.05472	1.4
105.03381	2.0
105.07030	8.2
107.04947	2.1
107.08593	7.0
109.02877	4.6
109.06491	4.1
109.10162	4.3
110.07326	0.6
111.04429	4.4
111.08063	1.9
112.42646	0.7
115.05441	1.3
116.06235	2.7
116.98550	0.9
117.07031	4.6
119.04948	1.8
119.08577	30.0
121.06499	4.8
121.10137	4.4
123.04396	0.8
123.08093	1.0
127.03895	2.2
128.06216	1.7
129.07004	4.7
131.08548	5.2
132.05707	0.9
133.06479	2.8
133.10132	5.6
135.08031	5.4
135.11702	1.3
137.05998	2.1
137.09601	4.6
139.07509	0.9
139.11267	0.7
142.07832	1.0
143.08549	2.7
144.09276	0.8
145.06491	1.0
145.10112	3.8
147.08044	100.0
147.11658	2.3
149.09621	3.6
151.11136	1.1
156.09306	1.0
157.06458	0.8
157.10126	2.2
159.07994	2.0
159.11708	1.9
161.05940	1.8
161.09631	4.9
161.13248	4.4
163.07547	1.0
163.11159	0.7
165.06950	0.8
165.09085	2.0
170.10898	1.9
171.08064	1.8
171.11668	3.4
173.09657	1.2
174.10452	0.9
175.07541	14.6
175.11136	1.1
175.14835	2.1
180.09384	0.9
185.13284	4.7
189.09103	2.2
189.12759	7.9
195.11734	0.8
203.14330	6.5
207.13774	0.8
213.12737	9.0
231.13805	31.1
249.07646	0.9
249.11046	3.1
249.14839	14.0
249.18507	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05511	6.5
55.30600	0.4
56.96562	0.5
57.03434	1.0
57.07075	3.9
65.03947	1.3
67.05505	6.2
69.03432	3.5
69.07059	1.0
70.17142	2.0
70.17509	0.9
71.04976	0.6
79.05510	0.9
81.03391	1.2
81.07047	1.3
83.04982	27.0
83.08590	0.6
85.00188	0.4
85.02905	2.3
85.06544	100.0
87.00833	0.8
91.05473	4.7
93.07039	1.6
95.04976	1.4
95.08601	2.9
97.02895	1.9
97.06545	1.2
98.97577	1.2
99.04472	0.6
105.01878	0.6
105.03405	0.5
105.07013	2.5
107.08600	1.7
107.87405	0.4
109.02858	1.5
109.10159	0.7
111.04446	0.5
111.08083	0.7
115.23174	0.4
117.07013	2.0
119.08581	15.1
121.06490	1.3
121.10106	0.8
123.08050	2.2
125.30728	0.5
127.03923	1.4
129.06964	1.2
131.08585	1.1
133.10114	0.9
135.08046	3.5
137.05913	0.5
137.09663	1.1
143.08604	0.8
145.10165	1.6
147.08041	28.7
147.11755	0.7
148.08458	0.5
157.10126	0.6
159.08087	0.5
159.11713	0.8
161.09647	1.1
161.13309	0.8
171.07988	0.7
173.09683	0.6
175.07567	3.0
175.11267	0.5
177.00764	0.6
185.13257	1.7
189.09019	0.5
189.12817	0.6
193.08565	0.8
203.14421	0.9
213.12808	1.0
231.13802	3.7
249.14772	4.6
249.18602	1.6
260.06354	0.5
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	[3aR-(3aalpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.39383	0.7
53.03942	1.3
55.01880	3.3
55.05513	10.7
57.07079	1.7
58.12599	0.7
59.05013	1.6
65.03938	4.3
67.05505	24.3
69.03429	13.0
69.07067	15.8
69.07411	1.3
70.66364	1.7
70.66750	1.4
71.04995	1.9
74.58699	0.7
79.05493	10.5
79.06189	0.7
81.03433	0.9
81.07059	15.0
83.04978	16.5
83.05453	1.0
83.08624	8.1
85.06541	1.6
91.05479	23.0
93.03415	2.8
93.07042	24.5
95.04971	6.0
95.08603	14.0
97.02899	6.5
97.06541	11.5
97.10181	0.9
99.84222	0.7
103.05463	1.4
105.07030	31.6
107.04941	3.6
107.08592	20.1
107.09291	1.3
109.06513	10.9
109.10170	8.6
110.07310	1.5
110.25187	0.7
111.04441	69.2
111.08080	17.6
115.05463	1.3
116.97233	1.4
117.07000	5.8
119.04987	4.6
119.05730	1.0
119.08577	34.2
121.06503	18.2
121.10146	10.7
123.04434	1.6
123.08082	7.0
123.11725	1.2
125.05965	1.6
125.09637	2.9
128.06219	2.8
129.06998	6.0
131.08578	8.5
133.06493	13.3
133.10127	20.4
135.08051	13.2
135.11728	1.2
137.05960	4.7
137.09619	15.8
139.07541	4.4
139.11153	7.1
141.06946	1.2
142.07793	3.0
143.08566	13.5
144.09366	1.0
145.06502	2.7
145.10120	14.4
147.04417	6.2
147.08041	19.0
147.11687	10.9
149.06004	3.5
149.09627	4.1
151.07549	5.1
151.11154	2.2
153.09116	2.1
155.08582	0.8
156.09338	6.6
157.06413	0.8
157.10141	10.0
158.10960	0.7
159.08086	2.7
159.11688	10.0
161.05981	9.2
161.07289	0.9
161.09619	13.8
161.13255	20.3
163.07547	6.9
163.11230	0.9
165.05504	4.1
165.06757	0.7
165.09135	3.6
167.07059	1.4
169.10051	0.9
170.10887	5.1
171.08069	2.9
171.11688	16.0
172.08855	1.3
173.09674	3.4
173.13313	2.3
175.07538	7.9
175.11285	3.3
175.14847	10.3
177.08966	0.8
179.07040	11.5
179.10707	1.8
185.13248	21.9
187.11180	7.0
187.14821	4.7
189.09151	4.8
189.12738	28.9
191.10661	1.6
193.08539	1.9
195.11722	2.8
198.10379	1.1
203.14317	34.1
205.12186	0.9
207.13835	1.2
213.12735	18.0
216.11479	1.0
221.15372	3.1
231.13799	100.0
232.14211	1.3
249.14856	93.6
250.15262	1.5
263.45480	0.7
267.15833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	4'-Methoxycinnamyl isovalerate
Peak:m/z	Relative Intensity
53.03939	0.8
55.01864	0.6
55.05259	0.6
55.05508	6.5
55.94915	0.5
57.03438	1.4
57.07067	4.6
57.83569	0.5
59.66011	0.5
61.77464	0.4
65.03932	1.2
66.47992	0.4
67.05500	5.6
69.03426	2.8
69.07075	0.7
70.85832	0.6
70.86183	1.3
71.04977	0.6
73.02912	0.5
79.05483	1.4
81.03404	2.3
81.07063	1.7
83.04982	24.8
85.02915	3.1
85.06541	100.0
86.06847	0.7
87.00841	1.1
90.68988	0.6
91.05482	3.8
93.07040	1.8
95.04969	1.0
95.08611	2.5
97.02885	1.9
97.06534	1.8
98.97600	0.8
99.04461	0.9
105.07037	2.7
107.08589	1.8
109.02860	1.0
109.06514	1.1
109.10156	0.6
111.08040	0.6
116.06226	0.6
117.07052	2.1
119.08583	14.4
121.06527	1.8
121.10252	0.9
123.08094	2.3
123.58474	0.4
127.03919	2.0
127.21502	0.5
128.06180	0.5
129.07024	1.8
131.08565	1.4
133.06506	1.2
133.10144	1.4
135.08043	2.4
135.11734	0.8
137.09612	1.0
143.08591	1.7
145.10138	1.5
147.08046	29.3
147.11641	0.8
149.09666	0.5
151.11177	0.7
157.10124	0.9
159.08105	0.5
161.09641	1.1
161.13219	0.6
163.11174	0.7
171.08052	0.6
171.11751	0.6
175.07544	3.4
185.13332	1.2
189.12749	0.8
203.14371	1.4
213.12845	0.9
231.04915	0.5
231.13766	4.7
249.11322	1.2
249.14738	5.2
249.18578	1.2
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	4'-Methoxycinnamyl isovalerate
Peak:m/z	Relative Intensity
53.03940	0.9
55.05511	6.5
55.30600	0.4
56.96562	0.5
57.03434	1.0
57.07075	3.9
65.03947	1.3
67.05505	6.2
69.03432	3.5
69.07059	1.0
70.17142	2.0
70.17509	0.9
71.04976	0.6
79.05510	0.9
81.03391	1.2
81.07047	1.3
83.04982	27.0
83.08590	0.6
85.00188	0.4
85.02905	2.3
85.06544	100.0
87.00833	0.8
91.05473	4.7
93.07039	1.6
95.04976	1.4
95.08601	2.9
97.02895	1.9
97.06545	1.2
98.97577	1.2
99.04472	0.6
105.01878	0.6
105.03405	0.5
105.07013	2.5
107.08600	1.7
107.87405	0.4
109.02858	1.5
109.10159	0.7
111.04446	0.5
111.08083	0.7
115.23174	0.4
117.07013	2.0
119.08581	15.1
121.06490	1.3
121.10106	0.8
123.08050	2.2
125.30728	0.5
127.03923	1.4
129.06964	1.2
131.08585	1.1
133.10114	0.9
135.08046	3.5
137.05913	0.5
137.09663	1.1
143.08604	0.8
145.10165	1.6
147.08041	28.7
147.11755	0.7
148.08458	0.5
157.10126	0.6
159.08087	0.5
159.11713	0.8
161.09647	1.1
161.13309	0.8
171.07988	0.7
173.09683	0.6
175.07567	3.0
175.11267	0.5
177.00764	0.6
185.13257	1.7
189.09019	0.5
189.12817	0.6
193.08565	0.8
203.14421	0.9
213.12808	1.0
231.13802	3.7
249.14772	4.6
249.18602	1.6
260.06354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0888
Annotation	Pyrimethamine
Peak:m/z	Relative Intensity
53.03918	1.3
54.65152	0.7
55.01873	0.9
55.05513	3.6
57.03431	1.8
57.07061	1.5
59.04988	1.3
61.32303	0.6
67.05505	8.3
69.03429	56.3
69.07051	2.1
69.75694	3.8
71.02257	0.6
71.04991	7.5
72.05320	1.6
73.02904	0.8
78.91193	0.6
79.05485	5.8
81.03407	2.2
81.07057	26.1
83.04973	1.0
83.08620	0.9
83.17061	0.6
85.02895	4.2
87.00816	1.0
91.05477	10.4
91.06749	0.6
93.07040	19.0
94.04220	0.7
95.04960	7.1
95.08601	5.8
97.02889	2.7
97.06525	2.6
98.21477	1.3
98.97585	0.7
98.98428	1.7
99.04459	1.4
105.07025	12.9
107.04944	0.9
107.08586	13.3
109.02868	1.5
109.06519	29.0
109.10162	11.6
115.05444	0.8
116.98620	0.7
117.07017	1.1
119.08594	2.1
120.08028	0.8
121.06487	1.1
121.10140	7.6
123.08073	10.0
123.11694	13.6
124.76684	0.6
127.03920	2.4
129.07008	1.1
131.08585	2.1
133.10129	15.4
135.08055	1.0
136.08827	1.7
143.08565	1.9
145.10136	2.7
147.04424	1.8
147.08170	1.0
151.11179	100.0
152.05650	0.9
155.08496	0.9
157.10123	1.7
159.11696	0.9
161.09592	0.7
173.09621	1.1
175.07579	2.1
178.05005	1.8
179.05360	4.4
185.13281	2.6
189.12756	1.0
191.10707	0.8
195.11639	0.8
195.13686	0.7
203.07030	2.0
203.14330	1.9
231.13806	7.3
249.09389	5.3
249.14923	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	249.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.05515	5.0
56.96561	1.0
57.03424	1.3
57.07058	2.0
59.05003	2.1
65.03925	1.4
67.05209	1.2
67.05508	12.1
67.12408	1.0
69.03441	5.6
69.07059	4.4
69.83882	6.1
71.04999	17.1
71.81535	1.0
79.05489	13.4
81.03426	3.1
81.07057	64.4
83.04960	2.7
85.02890	4.4
86.09706	1.5
91.05482	26.2
93.07043	40.1
94.86606	1.1
95.04977	12.1
95.08612	10.0
97.02874	5.1
97.06510	1.3
98.21404	1.6
98.97574	1.5
98.97813	1.6
98.98470	18.1
101.71470	0.9
103.05501	1.2
105.07034	46.7
107.08593	22.6
109.02890	1.9
109.06526	8.6
109.10156	6.9
110.07135	1.6
115.05432	2.6
116.98596	1.7
117.07011	1.9
119.08593	1.8
120.08051	1.3
121.06490	1.1
121.10143	4.5
123.08076	7.6
123.11707	27.7
127.03899	3.7
131.08557	6.5
133.06490	1.6
133.10132	100.0
134.10388	1.4
135.08101	1.6
136.06169	1.7
136.07597	1.3
143.04932	4.8
143.08556	3.1
145.10114	5.7
147.04373	2.1
147.08031	3.0
147.11655	1.3
151.07584	1.6
151.11179	36.9
157.10117	1.8
159.08064	1.4
159.11688	2.3
161.05995	3.2
161.09590	1.4
161.13336	1.3
169.02614	1.9
170.10965	1.2
171.04465	1.3
173.09676	1.9
175.07568	3.9
185.13206	5.8
189.09200	1.7
189.12735	1.3
191.10701	1.5
203.07037	7.0
203.14346	2.9
213.09274	1.0
213.12825	1.7
217.05045	1.3
231.13809	16.0
249.07309	6.2
249.11351	2.0
249.14943	3.4
249.18568	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.076
Annotation	Misakimycin
Peak:m/z	Relative Intensity
55.01873	3.1
55.05525	1.5
56.96579	1.0
57.03456	0.8
57.07087	0.8
59.05011	1.3
67.05508	3.3
67.63641	0.5
69.03432	4.5
69.07074	2.5
71.04990	0.7
71.59917	1.1
72.88141	0.5
79.05494	3.2
81.03438	2.2
81.07059	6.0
83.04974	0.6
83.08625	1.0
85.02930	2.4
87.00847	0.8
91.05472	5.0
93.07029	4.6
95.01289	0.5
95.04961	3.2
95.08611	5.9
97.02914	2.2
97.06564	1.0
98.97628	1.8
99.04483	0.7
103.05489	2.1
105.01863	0.6
105.07034	8.1
106.96081	0.5
107.04926	3.7
107.08589	3.7
109.02913	1.7
109.06546	1.8
109.10148	2.5
115.05489	2.0
116.06264	0.7
116.98651	1.9
117.07025	2.7
119.08601	4.1
121.06490	2.5
121.10158	2.4
123.08095	1.4
123.11735	1.0
125.05988	0.6
127.03963	2.0
128.06235	1.3
128.98611	0.5
129.07040	2.3
130.07828	1.0
131.04922	5.3
131.08589	2.2
132.05722	0.5
133.06509	6.0
133.10176	3.4
134.99696	1.5
135.04385	4.4
135.08084	1.0
135.11685	1.3
137.05984	0.8
141.06976	1.3
142.07773	0.9
143.08611	1.5
145.06491	4.2
145.10117	2.8
147.04440	2.3
147.08070	1.6
147.11708	1.7
149.05984	4.7
149.09677	0.9
149.13278	0.8
155.04964	0.8
157.06540	1.1
157.10130	1.6
158.01395	0.5
159.04434	1.2
159.08131	2.4
159.11649	1.4
161.02402	0.8
161.05977	7.5
161.09625	1.7
161.13263	0.7
171.04456	1.0
171.08058	0.6
171.11693	1.0
172.05283	0.6
173.06026	2.7
173.09642	0.8
173.13194	1.0
175.07573	1.5
175.14868	1.0
176.04704	1.0
177.00700	0.7
177.05489	16.7
185.13271	2.2
187.07549	1.9
189.05478	5.6
189.09111	1.6
189.12778	1.1
189.16191	0.6
191.07132	0.8
195.11813	0.6
199.07771	0.6
201.05496	9.0
203.07053	1.9
203.10710	1.1
203.14343	1.5
203.17834	0.9
204.07820	0.8
207.13708	0.9
208.08643	0.8
213.12717	1.1
213.16344	0.7
216.07892	0.6
218.01483	0.5
219.06534	92.3
220.07159	0.7
221.11642	0.9
228.60144	0.5
231.06610	6.7
231.13783	5.8
231.17419	1.6
231.21088	0.6
249.07579	100.0
249.11183	7.4
249.14622	5.2
249.18401	4.3
250.07927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75135	1.1
53.03949	10.3
55.01873	12.3
55.05513	2.4
55.94792	1.3
56.96563	3.5
57.03431	13.5
59.04995	3.0
61.02925	5.8
67.05495	4.5
68.99780	5.2
69.03431	96.4
69.07064	1.7
70.13953	6.0
71.04996	14.5
73.02913	9.4
79.05495	6.6
80.88868	1.2
81.03423	51.4
81.07065	8.2
83.01340	2.6
83.04996	1.4
83.22134	1.2
85.02908	100.0
85.06536	1.8
87.00831	41.4
87.04477	3.2
91.05486	9.3
93.07043	11.0
94.31140	1.1
95.04984	2.2
95.08627	6.0
97.02893	56.2
98.97591	6.5
99.04450	36.8
101.02390	2.7
102.05540	1.7
103.05449	1.6
105.01871	19.2
105.07042	8.6
107.04974	2.9
107.08598	8.4
109.02884	34.3
109.06525	3.0
109.10175	2.0
115.03923	3.6
115.05503	1.3
116.98621	4.8
117.07003	5.1
119.04975	1.4
119.08584	6.7
121.06489	3.5
121.10165	5.2
123.08092	2.2
127.03920	78.2
128.06219	1.6
129.01881	2.4
129.06998	3.9
131.05000	1.8
131.08563	5.0
133.06479	1.5
133.10155	5.6
134.99660	2.0
135.07988	2.7
135.11693	3.4
137.09578	1.6
142.07675	1.4
143.08568	4.8
145.04979	12.7
145.10106	7.6
146.07265	3.4
147.07993	3.2
147.11679	2.5
151.11165	1.5
157.10155	4.2
158.99649	2.7
159.02890	5.6
159.08099	3.7
159.11682	3.1
161.05968	1.4
161.09642	4.9
161.13220	2.7
163.11214	1.3
169.10161	1.4
171.07999	1.7
171.11713	1.9
173.01230	1.9
173.09627	3.0
175.07565	2.4
175.11128	1.9
177.00732	2.7
185.13263	6.9
187.07582	2.5
189.09138	2.8
189.12720	3.1
191.10478	1.5
203.10712	1.7
203.14270	3.2
204.07796	1.7
213.03854	2.3
213.12860	3.6
218.06171	1.7
221.05797	1.3
228.10175	1.8
231.04999	8.4
231.10155	1.9
231.13797	20.1
231.17307	1.8
249.07549	1.7
249.11111	10.1
249.14751	11.3
249.18619	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	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.4
55.01861	4.8
56.84644	2.6
57.03432	9.9
59.05004	3.2
60.91084	2.8
61.02930	6.8
67.05488	4.4
68.99792	7.9
69.03435	100.0
69.03815	5.8
69.07060	3.9
71.04996	17.0
76.84008	3.3
79.05502	3.9
81.03420	65.7
81.07069	8.3
85.02908	67.8
87.00836	33.8
91.05485	4.4
93.07082	5.3
93.43624	3.1
95.04947	3.1
95.08621	6.0
97.02908	28.9
99.04449	31.5
102.68738	3.0
105.01875	8.4
105.07043	8.8
107.08645	4.7
109.02901	51.7
109.10145	4.9
119.08591	8.5
121.20429	3.0
127.03923	99.7
129.01878	5.4
131.08571	5.5
133.10182	7.6
145.05026	4.7
147.02896	3.6
147.08101	3.8
161.13232	4.3
203.14352	3.1
203.18042	13.5
213.04045	6.6
229.17841	3.8
231.04955	16.6
231.13766	4.4
249.11290	5.5
249.14861	6.4
249.18492	6.1
257.29898	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	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.8
55.01857	4.8
57.03427	8.3
61.02925	6.4
68.99773	9.3
69.03432	99.7
70.03743	2.1
70.08127	8.5
71.04993	15.5
81.03421	70.1
81.07042	2.4
85.02905	81.6
87.00831	38.8
97.02897	28.4
99.04456	32.0
105.01884	11.4
107.08589	3.0
109.02884	53.5
119.08595	6.0
121.10155	2.8
122.99378	2.2
127.03926	100.0
129.01842	7.6
139.03918	3.5
145.04900	3.2
147.02826	5.2
147.07954	4.4
189.09058	2.8
202.18890	2.2
203.17952	3.7
213.04019	4.1
214.46223	2.0
215.69688	2.1
231.04996	9.8
249.14822	5.7
249.18526	3.3
254.11145	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.8
55.01873	9.3
55.05515	1.9
55.93360	1.5
57.03444	11.5
59.05002	3.5
61.02927	4.8
67.05521	3.4
68.99792	4.2
69.03430	100.0
69.53136	11.9
69.75878	1.5
71.01345	1.8
71.05005	12.7
73.02920	8.8
79.05499	4.1
81.03422	53.4
81.07065	5.3
81.65723	1.5
82.03764	2.1
83.01339	1.7
83.04996	3.1
85.02905	80.0
87.00829	37.7
87.04479	1.9
91.05484	5.1
93.07055	5.2
95.04987	3.4
95.08610	7.0
97.02895	49.9
99.04454	40.3
101.02371	2.9
105.01855	17.4
105.07045	7.0
107.08611	4.3
108.04517	1.6
109.02882	35.4
109.04824	3.6
109.06509	2.4
109.10156	3.6
115.03961	3.8
117.07092	2.8
119.08582	7.3
121.06500	2.0
121.10130	4.6
123.71394	1.5
127.03920	74.8
129.01828	3.8
129.07007	3.2
131.08553	2.3
133.10141	3.0
135.08051	2.4
135.11652	2.0
137.06027	1.7
143.08585	2.2
145.04964	7.9
145.10124	3.6
147.02795	1.9
147.08060	2.2
156.09346	1.9
157.10229	2.5
159.02892	4.3
159.08099	1.6
161.09656	3.2
163.11208	2.5
165.09177	1.6
170.04164	1.6
175.07481	1.6
185.13295	3.3
189.04362	1.6
189.09164	3.3
203.10396	1.7
203.14319	2.7
213.03870	3.5
228.02914	4.5
231.04993	13.7
231.06946	1.9
231.13747	14.6
231.17415	3.4
237.05159	3.2
243.05121	1.9
246.03871	1.9
248.55849	1.9
249.08864	2.0
249.11307	4.8
249.14890	6.8
249.18568	4.8
261.06265	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0919
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
50.79192	0.5
55.05516	0.6
56.96573	1.4
58.07769	0.5
62.37106	0.5
62.38952	0.4
67.05502	1.2
69.03422	0.6
69.07078	1.5
70.06584	0.5
70.90718	1.5
71.04994	85.6
72.05347	0.5
74.06058	0.6
79.05502	1.2
81.03422	0.7
81.07077	2.9
83.04975	0.6
84.08134	0.7
85.02888	1.2
86.09708	3.7
88.07676	0.6
91.05476	4.6
93.07054	0.8
94.16992	0.4
95.04977	0.6
95.08598	0.9
97.02904	0.7
98.02405	0.6
98.97575	1.8
107.08630	0.7
109.02882	0.6
116.03506	0.7
116.98631	1.2
119.04939	2.6
121.10201	0.5
122.29535	0.6
134.04480	0.7
134.99663	0.7
141.77818	0.5
145.10155	0.5
147.04410	13.0
148.04774	0.9
149.01300	0.8
160.03920	4.1
166.08736	0.6
167.01889	0.6
169.81889	0.5
172.95239	0.6
178.04997	100.0
179.05305	1.0
180.41606	0.5
184.09697	1.1
186.99174	2.1
190.96350	0.5
202.10779	3.2
205.00272	0.9
212.16415	1.2
214.39259	0.6
219.01752	1.0
230.17519	1.4
231.13878	0.5
233.81482	0.4
248.09187	86.8
248.18510	3.5
248.74632	0.5
249.09644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	45.9
57.03417	1.3
58.06606	1.3
59.05005	1.0
61.02932	5.2
69.03426	2.5
70.00838	4.6
70.06591	2.0
70.98116	1.7
71.04989	1.2
71.95255	2.1
72.08136	0.9
72.96058	1.3
73.02914	3.0
74.06078	2.2
74.97610	1.9
81.03407	1.9
83.04981	2.5
84.04517	1.0
84.08157	6.7
84.96043	2.3
85.02920	5.4
86.06060	1.6
86.09704	7.6
87.04452	1.0
87.10034	1.2
88.99155	1.5
97.02884	3.3
98.97591	64.1
112.03883	1.2
116.98632	69.9
117.01868	1.5
118.08654	1.9
119.01920	4.2
119.08978	1.4
120.02018	3.4
121.01618	1.1
125.02654	3.2
127.03918	2.8
128.98616	2.6
129.10222	1.6
131.00128	1.3
132.03371	1.2
133.01677	1.0
133.03429	1.4
134.01276	3.0
134.99670	53.8
140.00183	1.4
142.01656	1.2
143.00133	1.2
144.03255	2.1
145.03510	1.0
146.01326	3.2
146.99625	4.5
149.01057	1.0
150.05505	1.2
153.00720	10.1
153.02008	1.6
154.01871	0.9
154.03893	4.3
158.01263	4.5
158.04861	4.6
158.99701	2.0
159.02203	1.2
160.06490	7.5
161.04811	1.3
162.01881	1.0
163.04401	4.1
165.00676	3.2
171.03290	1.4
174.03004	1.3
175.02731	1.2
176.06079	1.2
177.00705	2.4
178.07541	3.1
180.02640	1.6
188.02478	6.5
188.05962	3.6
188.52612	1.7
189.00719	1.4
189.04390	10.4
190.98717	1.3
191.04022	1.2
197.03072	2.1
201.00812	1.4
206.07037	7.6
207.01855	2.6
207.05415	11.1
212.05934	2.4
216.00615	1.6
218.04369	1.4
219.01698	2.0
224.08069	11.9
230.06999	32.7
231.05464	3.2
248.08081	100.0
266.09116	8.8
269.50394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.5
58.06599	1.6
59.07372	1.6
60.05648	1.5
61.88980	0.3
67.96729	0.3
69.03436	0.7
69.07094	0.4
70.06593	17.9
71.04996	2.1
71.58009	0.4
71.58367	0.3
72.08156	3.7
84.04506	1.5
84.08169	0.4
85.02885	0.6
86.09708	5.7
104.10744	1.3
109.85474	0.3
112.08734	9.2
117.99093	0.3
118.08656	100.0
119.01902	0.9
119.09012	0.5
127.03976	0.3
128.12384	0.3
130.09764	30.6
143.04427	0.6
144.04741	0.4
163.02745	0.5
183.11385	0.5
213.58614	0.3
229.11757	0.7
235.25255	0.3
247.04388	0.7
247.12808	0.6
247.17590	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2058
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
55.05506	5.4
56.96572	17.6
57.07075	11.0
60.80745	2.2
67.05496	10.7
69.07055	6.1
70.66343	7.4
71.08611	6.0
79.05473	7.6
79.12487	2.1
81.07062	13.0
83.08591	3.8
83.18087	2.2
85.10195	3.3
91.05455	6.1
93.07032	12.0
94.50944	2.3
95.08595	13.9
105.07046	11.7
107.08624	12.9
109.10138	10.2
117.06988	3.4
119.08596	15.2
121.10134	13.7
123.11668	2.6
131.08553	13.8
133.10135	10.9
135.11693	11.5
144.09294	3.3
145.06502	2.4
145.10094	13.9
147.11679	6.6
149.01225	16.8
159.11690	33.8
161.13246	8.1
167.02347	10.5
172.02818	3.3
173.13307	18.4
175.14778	13.2
185.13316	2.5
186.14006	8.9
187.11192	2.2
187.14775	7.5
190.03790	4.1
191.14098	2.3
194.12474	7.3
199.14842	5.0
201.16382	10.0
203.12921	4.6
205.12103	2.3
205.63174	4.3
214.17140	3.9
229.15926	5.1
229.19510	100.0
230.19843	3.4
247.13217	5.7
247.16951	17.4
247.20619	25.1
247.24315	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
54.82704	2.2
55.05507	11.1
63.72624	2.2
67.05511	49.7
69.07070	14.0
69.52180	2.4
70.84392	6.5
71.04971	2.7
79.05492	33.6
81.07059	66.2
83.08614	4.9
91.05492	30.0
93.07044	46.2
95.04979	5.5
95.08612	68.5
105.07040	46.4
107.04954	3.5
107.08601	40.8
109.10154	26.2
111.04427	8.4
117.07011	10.0
119.08592	36.8
121.06499	3.1
121.10145	21.5
122.12818	2.6
123.08054	5.7
123.11682	5.9
125.06009	4.3
129.06975	3.8
131.08568	27.7
133.06493	7.5
133.10149	20.1
135.08054	5.6
135.11703	6.9
137.05975	3.1
143.08572	7.8
145.06508	2.5
145.10139	40.3
147.08075	8.4
147.11705	33.0
149.13264	8.9
151.07555	12.1
157.10060	3.2
159.08063	5.7
159.11710	26.4
161.13263	7.4
165.09140	8.6
169.10086	4.1
173.09624	6.2
173.13268	10.7
177.09122	8.0
185.13286	9.7
187.11217	4.6
187.14833	53.8
191.10675	8.5
195.47855	2.3
201.12962	3.0
201.16386	51.1
203.17961	4.5
205.12256	3.3
211.14835	9.4
229.15886	35.5
247.16956	100.0
247.23883	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
54.91406	1.1
55.05516	6.3
57.07080	2.2
62.76470	1.2
67.05513	11.2
69.03428	1.4
69.07069	8.2
70.80238	1.2
71.04995	1.2
71.46979	3.3
79.05504	9.6
80.56008	1.1
81.07061	21.9
83.08646	1.2
91.05482	13.9
93.07053	16.9
95.04943	2.5
95.08607	23.6
105.07030	36.6
107.08596	23.8
109.06490	2.2
109.10156	14.6
117.07053	6.9
119.08595	30.1
121.06544	1.7
121.10134	8.8
123.08031	2.0
123.11723	3.7
125.05972	2.2
125.09583	1.6
130.07800	2.1
131.08571	20.9
133.09195	0.8
133.10141	23.6
135.08061	2.3
135.11707	4.2
139.07559	2.1
143.08574	4.5
144.09320	2.7
145.10139	56.3
145.28920	1.1
147.11694	46.1
148.12479	1.8
149.06012	1.6
149.09639	1.7
149.13145	1.4
155.08598	1.5
157.10144	5.2
158.10934	1.6
159.08095	2.2
159.11693	38.1
160.12450	1.9
161.13298	5.8
169.10139	3.2
172.12383	1.7
173.09634	4.8
173.13249	14.1
175.14841	1.5
177.09120	3.0
177.16451	1.5
183.11726	2.1
185.13316	8.7
187.11180	2.9
187.14816	25.1
191.10701	4.3
201.16386	100.0
205.12239	2.2
211.14896	6.7
219.17642	1.4
229.15889	28.2
247.16951	89.3
248.17311	1.9
253.35933	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.48552	0.6
53.03941	0.8
55.05508	5.8
57.07067	2.3
65.03937	1.0
67.05163	0.9
67.05502	10.2
69.03429	1.2
69.07067	6.8
71.04993	2.0
71.58642	1.2
73.06553	0.9
77.03886	0.6
79.05492	10.4
81.07053	17.1
83.04978	1.0
83.08617	1.5
85.06536	1.3
91.05476	14.9
93.07043	17.3
95.04984	3.1
95.08604	23.1
97.06529	2.0
97.10163	0.8
105.07026	36.0
107.08593	24.4
109.06525	2.1
109.10156	12.5
109.27422	0.6
111.04415	0.8
111.08095	1.0
112.36472	0.6
113.06016	0.7
115.05465	0.9
116.06208	0.7
117.07015	7.4
119.08578	31.3
121.06503	1.5
121.10136	10.4
123.08105	1.1
123.11700	2.2
125.06024	1.8
128.06172	0.9
129.07013	1.7
130.07785	2.5
131.08562	20.2
131.54419	0.9
132.09360	0.8
133.10126	21.3
135.08034	2.4
135.11685	3.3
137.05984	0.9
137.09621	1.1
139.07550	2.6
142.07784	0.8
143.08546	5.1
144.09372	2.9
144.40744	0.7
145.10120	53.4
146.10858	0.9
147.11684	49.1
148.12431	1.8
149.05977	2.3
149.09583	1.1
151.07581	1.9
151.11223	0.8
153.09076	1.4
155.08641	1.5
157.10104	5.1
158.10895	1.3
159.08063	1.9
159.11691	45.1
161.09612	0.9
161.13242	6.3
163.07550	2.6
163.11238	0.9
165.09125	1.0
169.10123	3.2
171.11652	1.3
172.12444	1.1
173.09682	3.7
173.13252	13.4
175.14778	1.5
177.09102	2.9
183.11671	1.2
185.13251	6.7
186.14020	1.9
187.11201	3.1
187.14822	24.7
188.15494	0.8
191.10692	5.8
196.12486	0.9
199.14793	1.3
201.16374	100.0
202.16798	1.3
203.17934	1.8
205.12239	2.9
211.14799	6.5
219.17467	1.4
229.15866	26.8
247.16922	95.4
248.17290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.30457	0.6
53.03925	0.7
55.01867	1.1
55.05263	0.7
55.05509	7.5
57.07084	1.2
62.56659	0.6
64.92329	0.6
65.03924	0.9
67.05505	10.3
69.03412	1.8
69.06735	0.7
69.07070	9.9
71.04987	1.7
71.60133	0.7
71.60552	1.1
79.05487	9.1
81.07056	18.0
83.04973	1.4
83.08604	2.6
85.06544	1.0
87.04424	0.7
91.05479	14.0
93.06476	1.2
93.07043	17.7
95.04964	2.2
95.08606	20.1
97.06519	1.8
97.10168	0.9
105.07031	34.4
107.04966	1.3
107.08594	26.6
109.06510	2.7
109.10156	13.4
111.08092	1.4
113.05976	0.9
115.05430	0.8
116.06258	1.3
117.07010	7.3
117.68313	0.6
119.08584	29.5
121.06520	3.7
121.10137	11.4
123.08045	2.5
123.11709	3.5
125.05974	1.4
125.09574	1.0
128.06192	0.6
129.07008	1.2
130.07813	2.3
131.08574	21.1
133.06493	0.9
133.10136	19.4
135.08052	5.5
135.11696	3.1
137.09644	0.9
139.07503	2.3
143.08568	5.8
144.09366	2.4
145.06427	1.4
145.10123	57.1
146.10841	0.9
147.08105	1.2
147.11687	41.1
148.12393	1.4
149.05977	2.1
149.09612	1.6
149.13269	2.4
151.07535	2.3
153.09135	0.8
155.08516	1.5
157.10117	4.7
158.10872	0.8
159.08052	1.6
159.11697	41.3
161.09625	1.7
161.13248	4.5
163.07532	2.3
163.11211	1.6
165.09119	2.2
169.10124	2.5
171.11710	2.4
172.12473	1.2
173.09657	3.3
173.13263	14.2
177.09163	4.4
177.12807	1.3
179.10547	0.7
183.10199	1.1
183.11700	1.4
185.13254	7.9
186.14101	1.3
187.11212	3.7
187.14816	16.7
191.10628	6.8
194.38802	0.7
196.12585	1.0
199.14780	1.3
201.16385	96.1
202.16684	1.4
203.18040	2.2
205.12250	3.6
205.15758	0.7
211.14877	5.4
217.10101	0.9
219.17451	2.5
229.12381	0.9
229.15881	24.2
229.19380	1.3
232.12488	1.1
245.50975	0.7
247.16942	100.0
248.17264	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05512	5.8
57.07073	2.8
66.13550	2.0
67.05510	11.5
69.07054	5.6
71.00917	6.3
71.05009	2.4
72.13634	2.3
72.79597	2.2
73.06616	2.1
78.72941	2.3
79.05475	6.9
81.07049	12.5
85.06537	2.5
91.05492	13.2
93.07043	17.5
95.04972	3.9
95.08612	25.0
97.06540	2.6
98.10934	2.0
105.07025	32.4
107.08601	26.6
109.10133	10.4
111.08105	2.7
117.07008	9.1
119.08588	33.9
121.06506	2.3
121.10149	13.1
123.11674	2.3
131.08569	23.2
133.10147	19.1
135.11710	5.0
143.08551	4.8
144.09323	3.2
145.10120	52.7
147.11696	41.7
157.10152	3.2
159.08017	3.2
159.10460	3.1
159.11693	41.5
161.13283	4.7
169.10194	3.6
169.54735	2.5
170.10846	2.6
172.12474	3.7
173.09592	2.9
173.13287	11.9
177.09210	3.8
185.13258	5.6
187.11249	2.7
187.14835	32.0
191.10588	2.3
201.16383	86.5
211.14711	5.8
219.13766	2.4
229.15865	23.7
247.16930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03944	5.6
55.05503	3.8
57.07053	1.6
57.09917	0.9
58.67744	0.9
59.04992	0.9
65.03926	3.0
67.05489	4.3
69.03426	17.6
69.07053	3.3
69.36420	2.6
69.36826	7.3
74.49039	1.0
77.39156	0.9
79.05485	7.9
81.07048	9.4
83.04976	18.1
83.08615	1.1
85.02894	1.9
85.06551	1.7
85.24699	1.0
91.05486	12.8
93.03405	3.9
93.07046	13.7
95.04971	5.5
95.08601	4.8
97.02883	8.4
103.05488	1.5
105.07030	13.2
107.08589	16.6
109.02872	18.2
109.06512	12.1
109.10143	4.8
111.04422	5.4
115.05454	1.8
117.07011	7.8
119.08577	16.4
121.02869	4.1
121.06516	16.7
121.10145	7.6
122.10926	1.7
123.08055	3.1
127.03921	1.8
128.06235	4.2
129.07010	5.6
130.07767	1.3
131.08563	18.5
132.05612	0.9
133.06430	1.2
133.10135	12.7
133.49507	0.9
135.07108	1.6
135.08060	23.8
135.11682	0.9
137.05956	7.8
137.09586	3.8
139.03899	2.8
141.07002	1.4
142.07779	3.0
143.08566	11.4
144.05685	1.7
144.09340	11.1
145.06499	7.9
145.10130	11.8
147.08034	2.7
149.05937	1.1
149.09616	21.8
149.13210	1.6
150.10381	4.0
151.11179	4.1
153.06956	1.7
155.08572	5.2
156.09354	1.8
157.06462	1.8
157.10178	4.8
158.07262	1.2
158.10919	11.4
159.08081	10.7
159.11693	28.9
160.08823	3.7
161.09608	3.5
161.13272	1.4
163.07539	20.1
163.11171	3.7
165.06998	1.2
165.09180	2.6
167.08612	1.3
168.09341	3.7
169.10126	2.7
170.10904	4.3
171.08090	7.2
171.11639	1.3
172.08841	13.7
173.06061	1.0
173.09616	25.1
173.13257	42.1
175.07497	1.1
177.09151	1.2
177.16371	1.4
181.06459	2.9
183.11655	8.1
185.09634	1.6
185.13246	2.4
186.10393	21.2
187.07573	3.5
187.11186	100.0
188.11607	1.9
189.09032	2.6
191.07033	22.4
191.17920	1.5
193.09970	1.2
196.08870	4.5
199.07469	2.0
201.12744	63.0
203.14343	1.7
205.12207	9.1
211.11212	9.0
214.09900	2.9
219.13730	5.7
229.12238	65.9
230.12534	1.2
247.13287	65.8
247.20511	1.6
247.24231	3.7
248.13574	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	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46379	1.1
69.37047	0.9
69.37382	11.5
70.06583	1.6
73.53175	1.0
86.09698	1.4
98.21505	2.2
101.00878	2.2
112.08741	1.3
118.08656	17.2
119.01916	5.1
130.09753	4.1
146.56476	1.2
157.20287	1.1
162.45934	1.1
167.03210	1.2
168.99713	1.7
187.00789	2.0
215.00395	3.1
229.03209	20.0
247.04272	100.0
255.13565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
50.26203	1.7
53.03934	4.7
55.01863	2.1
55.05505	2.5
56.96533	1.9
57.03418	2.5
57.07058	1.9
61.79728	1.8
64.15150	2.0
65.03928	4.6
67.05481	5.5
69.03124	2.0
69.03432	20.0
69.67986	5.1
69.68407	8.8
79.05476	8.6
81.03417	2.9
81.07042	8.0
83.04964	12.6
83.39789	1.7
85.02835	2.9
91.05487	31.9
93.03405	5.3
93.07055	12.4
95.04954	6.9
97.02877	9.5
98.21538	3.3
98.97580	3.6
105.07031	13.8
107.08608	14.0
109.02898	18.7
109.06518	14.2
111.04420	7.2
115.05461	3.1
117.07004	6.6
119.08614	16.8
121.02842	5.9
121.06492	12.2
121.10152	6.1
123.20364	1.8
128.06221	4.1
129.07005	7.3
131.08574	19.0
133.10117	14.1
133.75526	1.7
135.08072	23.3
137.05963	6.8
137.09637	3.2
139.03889	2.3
143.08557	7.0
144.09377	12.3
145.06476	9.9
145.10121	12.3
147.08040	4.5
149.05940	1.9
149.09628	21.7
151.11235	3.7
153.06985	3.7
155.08575	2.5
157.10097	3.7
158.10916	12.4
159.08023	11.0
159.11693	27.8
160.08850	3.4
161.09618	5.0
163.07573	19.2
163.11153	3.2
168.09300	2.8
169.10187	3.1
170.10994	3.9
171.08018	5.8
172.08882	15.4
173.09621	28.4
173.13266	43.7
183.11671	8.6
186.10394	21.3
187.07703	4.2
187.11180	100.0
188.11798	1.9
189.12752	1.8
191.07063	25.5
196.08908	2.8
201.12749	64.2
205.12233	10.5
211.11171	10.7
214.09842	2.1
219.01736	2.0
219.13741	5.6
227.05608	4.5
229.12241	60.1
247.13303	64.3
247.17068	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	247.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24515	0.4
53.75499	0.5
55.05489	0.6
55.56506	0.5
56.96566	100.0
57.03431	1.0
61.02934	1.0
67.05510	0.9
69.03429	1.2
69.96531	2.0
69.96952	1.2
70.06587	1.7
70.98122	9.9
71.95265	1.1
72.08161	1.6
74.97602	7.3
81.07040	0.7
81.34392	0.5
84.08156	1.9
84.96044	6.1
85.02906	1.2
85.06552	0.9
86.09711	5.4
86.97597	1.7
88.04001	1.6
88.99162	8.4
91.05492	1.7
92.98643	1.6
93.07019	0.6
95.04963	0.6
97.02914	0.7
97.99185	0.8
98.97588	4.5
100.99140	6.3
102.97062	1.8
107.00190	4.0
110.97585	3.0
112.95464	0.6
115.00699	0.6
115.01508	0.5
116.98609	4.9
116.99853	0.5
118.08643	3.4
119.00187	9.1
119.01900	0.7
119.04978	1.2
120.98090	0.5
126.97086	0.7
127.03928	0.8
128.98616	7.7
130.08624	1.0
130.09877	0.5
130.16545	0.5
130.96542	1.9
131.03600	0.5
132.10213	1.8
133.01741	2.9
134.99680	4.7
137.01221	2.5
141.10231	0.9
142.01736	0.6
144.98088	19.5
146.99657	9.9
147.03378	0.6
147.04385	2.7
148.97581	5.1
151.02805	1.3
161.01208	4.2
161.04660	0.6
162.99150	41.6
165.00716	4.3
166.08623	0.7
166.98639	3.4
170.99591	0.6
171.99307	0.8
173.13237	0.5
177.00706	1.5
179.02292	1.8
181.00200	24.2
183.11406	0.5
186.00735	1.7
186.99095	3.2
187.10884	0.7
191.02295	0.6
195.01828	0.7
199.01212	3.5
201.00696	1.8
201.12370	2.8
204.01833	1.9
205.00200	28.3
212.09206	0.9
219.01779	1.3
223.01256	80.7
224.01503	0.6
228.01735	3.1
229.12068	0.9
237.02776	0.8
241.02332	12.7
242.98114	0.9
246.02859	5.9
247.01276	3.6
247.04124	1.2
247.13222	1.8
265.02304	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32133	0.2
55.05503	0.6
57.07034	0.2
58.06574	0.6
63.84447	0.2
67.05495	0.8
69.07066	1.2
70.06581	1.1
71.31597	0.3
71.31910	0.3
79.05479	0.6
81.07064	2.5
82.06581	2.1
83.08617	0.5
84.08143	0.4
85.48386	0.2
91.05466	1.1
93.07047	2.7
94.06560	0.6
95.08604	2.9
96.08125	0.7
105.07018	2.8
107.08592	2.8
108.08094	1.7
109.06439	0.3
109.10155	4.4
110.09664	1.4
117.07012	0.2
119.08579	2.3
121.10144	1.7
122.09673	0.5
123.11739	1.1
124.11224	0.3
126.90464	0.2
131.08595	1.2
133.10139	2.5
135.11734	1.5
140.81367	0.2
145.10104	1.9
147.11682	2.7
149.13246	2.4
152.14340	1.2
159.11703	1.5
161.13277	0.5
162.12720	0.3
164.14279	0.3
173.13229	1.1
187.14842	0.8
188.14371	0.4
189.16338	2.0
203.16515	0.5
203.18027	0.7
204.17482	3.6
205.19511	1.0
218.19008	0.5
229.19533	1.0
246.22166	100.0
247.22528	1.8
249.75381	0.2
266.70370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56001	0.4
51.10341	0.4
57.07077	6.3
58.06595	0.5
62.06063	0.4
70.01315	2.2
70.06596	10.2
71.08619	1.8
72.64002	0.4
80.06918	0.4
85.10187	1.1
85.28307	0.4
88.07633	14.2
90.36949	0.4
98.20807	0.5
98.79773	0.4
102.09187	3.8
106.08678	8.3
135.76355	0.4
139.56013	0.5
202.21660	0.8
228.23270	6.7
246.24300	100.0
247.24730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.4
67.05513	22.9
67.94984	0.8
69.07082	7.8
69.68254	2.0
69.68657	5.1
70.06589	3.0
79.05494	10.9
81.07065	25.8
83.08623	3.5
84.04501	1.5
84.99651	0.8
91.05472	5.9
93.07049	23.0
94.06566	1.0
95.04974	1.2
95.08614	47.2
96.08102	2.0
98.98442	1.8
105.07051	9.1
107.08599	13.8
108.07411	1.6
108.08122	22.1
109.10163	82.4
110.09688	1.5
110.10404	0.8
119.08607	5.4
121.10158	11.0
122.09679	8.1
123.11712	9.4
126.12784	2.3
130.92604	0.8
131.08598	1.8
133.10139	10.8
135.11722	14.0
137.13254	1.1
145.10066	3.2
147.11699	4.0
149.13274	27.1
159.11723	1.0
161.13277	1.7
163.14870	4.3
174.27180	0.8
186.13701	1.3
186.40955	0.8
187.11337	1.1
187.14836	1.0
189.16399	16.4
190.09523	0.8
205.19534	28.3
222.87703	1.0
229.19485	1.1
246.22191	100.0
247.13181	1.2
247.16939	1.7
247.22464	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.5
55.33042	0.6
57.07066	1.7
67.05511	4.6
69.07058	9.0
70.83935	1.9
71.10192	0.6
74.90495	0.6
79.05466	2.2
81.07059	11.6
81.55224	0.6
83.08624	4.3
91.05466	2.5
93.07031	7.0
95.08605	14.6
96.93111	0.6
97.10121	1.6
105.07023	8.2
107.08587	11.1
109.10154	12.6
119.08575	12.4
121.10140	10.9
123.11698	9.2
131.08511	0.8
133.10130	10.5
133.31505	0.7
135.11685	7.4
137.13243	4.0
143.08546	1.6
144.11543	0.6
145.10132	2.0
147.11697	7.1
149.13245	7.6
159.11496	1.1
161.13254	7.6
163.14830	7.1
175.14821	20.0
177.16368	1.9
185.13248	1.1
189.16386	16.7
190.93343	0.7
192.43710	0.7
199.14912	0.8
200.31731	0.6
203.17949	2.6
212.93001	0.8
227.14400	0.9
245.15706	3.8
245.22646	100.0
246.22786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96915	2.2
55.05498	5.9
59.06115	3.6
67.05499	6.1
67.34149	1.7
68.05025	3.5
69.07054	7.2
70.24598	8.2
79.02180	1.9
79.05477	3.4
81.04530	2.9
81.07069	12.8
83.08636	5.5
91.05466	2.9
91.82717	1.9
93.07035	7.6
95.06099	3.8
95.08610	21.3
105.07021	13.2
107.08594	16.1
109.07632	6.3
109.10143	11.1
110.07159	6.2
112.08728	2.1
119.08594	11.2
120.05634	2.6
121.10181	10.2
122.07148	5.0
123.11710	9.9
133.10107	13.9
134.07170	3.6
135.11691	5.1
136.08708	5.2
137.13228	3.2
147.11653	7.3
148.08691	3.4
149.08249	3.2
149.13268	7.8
151.09737	3.3
161.13239	7.6
162.10263	2.9
162.11623	2.2
163.09854	4.7
163.14838	5.9
175.14841	31.2
176.88647	2.3
177.36644	1.9
189.16371	16.5
203.17960	4.1
205.13216	2.7
245.04388	3.1
245.11630	4.0
245.15292	9.2
245.22672	100.0
246.22336	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	246.1448
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
51.02846	4.1
54.58245	3.5
55.05515	10.4
56.05037	6.9
56.96575	19.7
57.07067	3.6
66.22414	3.7
68.05825	3.1
69.03423	6.1
69.06715	6.0
69.07069	57.4
70.02959	16.4
70.06578	7.2
71.23991	10.2
72.08155	62.7
73.02920	4.4
74.06074	5.9
79.05515	6.1
81.03420	5.6
81.07066	6.2
84.04517	20.9
84.08155	18.3
85.02906	8.9
85.04043	19.6
86.06104	3.4
86.09709	93.5
87.05600	75.8
88.03976	11.7
91.05495	5.5
96.04443	3.9
97.02892	8.2
97.06538	7.2
98.02420	18.6
98.97562	6.3
102.05540	6.3
109.02914	4.0
110.02411	72.0
110.09769	4.1
113.10784	51.6
114.05527	5.1
118.08716	8.3
119.04977	6.4
124.03943	11.6
127.03914	11.9
129.10280	7.9
130.05028	8.5
130.08595	5.6
132.10190	27.0
134.99667	5.4
135.04391	4.1
138.05476	3.8
138.09134	4.9
141.10229	99.9
143.11838	19.2
146.99661	3.6
147.04410	11.5
148.06030	7.2
155.11821	9.9
163.03969	4.7
165.00687	6.1
166.08652	86.2
166.09950	6.7
169.09746	8.5
171.11382	5.1
182.11813	11.2
183.11362	14.6
184.09785	4.0
187.10802	61.2
200.12392	4.0
200.14035	30.4
201.00705	15.8
201.12564	6.3
202.09145	5.1
202.10730	21.5
205.00308	3.6
211.10815	13.5
212.09189	100.0
228.13466	10.4
229.11856	69.6
237.02814	3.8
246.14487	14.3
246.18269	5.0
247.06297	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	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.5
56.58226	0.9
57.07079	4.9
67.05505	8.6
69.07072	13.5
71.59026	1.9
73.02021	0.8
73.56932	0.8
79.05493	5.5
81.07054	19.6
81.81696	0.9
83.08609	7.3
84.04504	1.6
91.05483	7.8
93.06547	1.4
93.07063	14.9
93.46572	1.2
95.04968	1.2
95.08608	27.9
96.14697	1.0
97.10184	4.8
105.07032	17.6
105.81131	1.3
107.08597	23.5
109.10159	22.9
117.07019	1.3
119.08582	19.9
121.10144	19.9
123.11702	12.1
125.09629	1.5
128.06221	1.3
129.06979	1.1
131.08601	2.5
133.10141	14.6
135.11681	13.4
137.13223	6.4
143.08562	3.3
145.10132	4.3
147.11681	12.4
149.13261	15.5
157.10146	3.2
159.11763	1.5
161.09586	1.0
161.13252	11.8
163.14818	15.6
173.13338	1.1
175.14836	21.4
185.13275	4.2
187.14793	2.2
189.16364	17.9
199.14825	2.7
202.17078	1.1
203.17926	6.3
227.14207	2.7
245.04384	1.9
245.11630	2.0
245.15436	9.4
245.22652	100.0
246.09718	1.0
246.22743	1.5
261.30417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
53.07392	0.6
55.01868	0.8
55.05508	8.1
55.56424	0.5
56.18885	0.5
57.07077	3.0
61.82422	0.5
65.03934	0.6
67.05165	1.0
67.05505	11.4
68.35158	0.5
69.03426	1.1
69.06722	0.8
69.07072	12.1
71.08630	0.9
71.59532	0.7
72.48421	0.6
79.05495	8.3
81.07052	24.5
83.04978	0.9
83.08614	9.1
84.84516	0.5
85.10159	0.8
87.04478	0.9
91.05474	11.4
93.07042	18.2
95.04978	1.9
95.08604	32.5
97.02917	0.8
97.06557	0.6
97.10158	3.9
105.07027	20.9
105.59644	0.6
107.04906	0.7
107.08589	25.6
109.06534	1.1
109.10157	23.2
111.04433	1.1
113.03477	0.7
115.03972	0.8
115.05468	0.7
117.06998	3.3
119.08576	26.0
121.06506	1.4
121.10140	27.6
123.11713	17.6
125.09624	0.7
128.06219	1.8
129.07007	2.8
130.07780	1.2
131.08582	8.0
133.06451	0.7
133.10120	19.2
135.08005	3.2
135.11691	16.1
137.05994	0.9
137.13251	8.7
141.06943	1.3
142.07802	4.4
143.08562	10.8
144.09322	0.7
145.06461	0.7
145.10132	11.9
146.10883	1.4
147.08052	1.6
147.11688	16.4
149.09602	0.9
149.13258	12.5
151.07561	1.3
151.14836	1.4
155.08563	2.2
156.09346	4.4
157.10143	16.9
158.10811	1.1
159.08113	1.1
159.11694	5.9
160.08826	1.1
161.09650	4.3
161.13268	14.7
162.63884	0.6
163.11137	4.0
163.14838	5.8
169.10144	1.8
170.10921	7.6
171.08054	1.5
171.11693	10.0
172.12160	0.9
173.09636	1.1
173.13315	4.3
174.10373	2.1
175.07510	0.6
175.11171	6.0
175.14825	26.3
176.15231	0.8
177.16393	1.9
183.11693	3.1
184.12433	4.3
185.09685	3.1
185.13258	30.7
186.10356	1.4
186.13791	1.1
187.11209	1.1
187.14763	0.8
189.09097	2.5
189.12749	24.6
189.16354	15.4
199.11125	1.6
199.14825	20.0
200.15091	0.6
201.12720	4.2
201.16438	2.0
203.10703	4.5
203.14302	2.7
203.17888	3.9
209.13255	1.2
212.11954	2.2
215.14293	2.9
217.15849	2.2
217.19424	0.7
227.14305	15.5
227.17636	2.8
228.14607	0.6
245.08340	0.8
245.11575	0.9
245.15384	72.8
245.19005	34.7
245.22653	100.0
246.15833	3.5
246.19377	1.0
246.22940	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.05511	11.1
57.07059	2.9
67.05500	13.2
67.98978	0.8
69.03402	1.6
69.07069	14.8
71.04974	0.7
71.08625	0.9
71.58900	1.2
79.05492	7.8
81.07053	30.9
83.04969	2.0
83.08619	9.7
84.32352	0.8
87.66290	0.8
91.05479	10.4
93.07046	17.4
95.04968	1.4
95.08604	38.4
96.11366	0.7
97.06520	0.8
97.10155	3.2
105.07030	22.5
107.08591	25.6
109.06535	1.4
109.10153	26.1
111.04469	1.2
111.08044	0.9
115.03902	0.9
115.05495	0.9
117.07035	2.5
119.08583	29.2
121.06526	1.7
121.10143	33.1
121.11025	1.6
123.08083	1.4
123.11707	20.5
123.12572	1.6
128.06238	2.0
129.07022	3.4
131.08556	7.0
133.10129	23.0
135.08096	2.5
135.11696	19.4
137.09641	1.3
137.13239	9.9
141.06924	0.9
142.07819	4.0
143.08571	11.5
145.06491	0.8
145.10127	11.3
146.10902	1.8
147.08076	3.1
147.11676	16.6
149.09613	1.8
149.13252	14.1
151.14848	1.5
155.08546	2.6
156.09338	3.6
157.10118	16.8
158.10707	0.9
159.08060	1.6
159.11665	6.6
161.09610	3.8
161.13252	15.2
163.07578	0.9
163.11153	3.8
163.14795	7.7
169.10123	1.5
170.10898	6.4
171.08052	1.4
171.11702	8.9
172.01375	1.3
172.12331	0.7
173.09648	1.7
173.13283	3.1
174.10378	2.6
175.11171	5.4
175.14822	31.3
177.09081	0.9
177.16406	2.3
183.11713	2.9
184.12474	1.9
185.09622	2.6
185.11592	1.5
185.13248	29.1
185.14848	1.5
186.10387	0.8
186.13692	1.2
187.11188	2.4
187.14839	1.9
189.09108	2.6
189.12737	26.1
189.16356	19.5
190.13153	1.1
199.14851	19.2
200.15257	0.8
201.12749	4.5
201.16380	2.4
202.13434	1.0
203.10670	3.0
203.14244	4.5
203.17964	3.4
209.13315	1.9
212.11980	1.9
215.14291	1.2
217.15991	1.8
227.14320	15.3
227.17889	1.9
228.14653	1.2
245.12712	1.3
245.15382	64.6
245.19012	36.4
245.22662	100.0
246.15697	4.0
246.19165	1.2
246.22952	1.8
252.09908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05502	0.3
56.96576	0.7
57.07055	0.3
67.05489	0.3
69.07059	1.0
69.77160	1.1
69.77570	0.7
70.06627	0.3
71.04993	0.3
81.07043	0.3
86.09708	100.0
87.10051	0.5
98.21462	0.4
98.97585	0.6
116.98606	0.3
117.03419	0.3
119.08546	0.3
132.10202	3.6
140.83871	0.3
142.03246	0.8
145.02858	0.5
177.05515	0.8
199.18118	1.4
211.40669	0.3
215.04048	0.3
245.11809	0.5
245.18617	7.4
246.07487	0.3
264.03241	0.4
265.12973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
52.67777	0.3
53.54339	0.3
55.05513	1.0
56.37057	0.3
56.96573	1.4
67.05494	0.3
67.90742	0.3
69.03414	0.5
69.07040	0.5
69.66067	1.8
70.06589	0.5
71.04985	0.4
71.08618	0.3
79.05492	0.5
81.07064	0.8
83.04987	0.8
83.06110	0.4
83.08619	0.9
84.04513	2.3
85.02921	0.5
86.09708	100.0
87.04488	0.4
87.10026	0.4
91.05463	0.6
93.07053	0.6
95.04986	0.3
97.02892	0.5
98.97589	0.3
99.08087	0.8
101.84297	0.3
105.07046	0.5
107.08612	0.6
109.06514	0.3
111.04462	0.3
115.04014	0.4
116.10779	0.3
116.98649	0.5
117.03369	0.7
118.08636	0.4
119.04946	0.2
119.08625	0.4
120.08078	0.3
121.10153	0.4
129.06621	0.9
130.05014	3.8
131.08580	0.4
132.10211	3.6
133.10117	0.4
135.11699	0.3
142.03233	0.4
143.00130	0.5
145.02869	1.7
145.10132	0.3
147.04446	0.7
147.07668	1.4
147.11710	0.4
148.04774	0.3
149.06059	0.3
161.01187	0.7
173.13219	0.3
177.05487	3.5
187.02922	0.3
199.18024	2.1
206.29301	0.3
209.15469	0.3
213.04132	0.3
227.14258	0.5
227.16348	0.6
228.30243	0.3
231.01814	0.8
245.11807	1.1
245.15903	0.4
245.18634	7.5
245.22537	0.6
249.02901	0.9
267.04041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	Ile Ile
Peak:m/z	Relative Intensity
52.90510	0.3
53.03941	0.3
53.47707	0.2
55.05502	1.3
56.96555	0.7
57.05804	0.4
58.06586	0.3
61.01048	0.2
62.76184	0.2
66.98320	0.3
67.05505	0.5
69.03429	0.8
69.07067	8.9
70.06589	0.9
70.07526	1.4
71.04992	0.4
72.08158	0.6
79.05503	0.8
79.78109	0.3
81.03426	0.4
81.07063	0.7
83.04981	2.4
84.08141	0.8
84.62401	0.2
85.02924	0.7
85.06526	0.3
86.09704	100.0
87.10040	0.4
91.05487	1.9
93.07063	0.6
95.04980	0.4
95.08615	0.7
97.02892	0.6
98.97589	0.9
101.05996	0.3
105.07016	0.4
107.05006	0.3
107.08616	0.5
115.03979	0.4
115.28714	0.2
116.98572	0.4
119.08590	0.6
123.08101	0.3
127.03923	0.3
129.10242	0.7
131.08620	0.3
132.10201	1.9
137.05997	0.3
142.03241	0.4
145.02831	0.4
145.10042	0.3
149.09593	0.5
149.84389	0.3
158.99641	0.4
160.03876	0.3
167.03474	0.7
167.10661	0.7
177.05527	0.7
199.18062	1.2
209.11790	0.6
222.57692	0.3
227.07030	0.3
245.04314	0.3
245.13657	0.4
245.18613	6.9
245.22702	0.7
246.09541	0.5
263.98917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1536
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
51.77547	0.6
53.03924	1.5
55.01848	0.6
55.05509	5.9
57.07068	1.7
57.56605	0.6
65.03922	0.9
67.05507	8.6
69.07067	7.6
70.81285	0.7
70.93030	1.8
77.24058	0.7
79.05489	10.0
81.03400	0.8
81.07053	12.5
83.04985	1.3
83.08601	2.0
83.21057	0.8
91.05477	18.5
93.07040	18.9
95.04953	2.4
95.08605	13.7
97.06553	0.8
97.10187	1.0
99.04494	0.7
103.05466	1.1
105.07026	27.4
107.04951	1.8
107.08588	21.4
109.06507	2.7
109.10165	8.6
111.04442	2.1
113.03463	1.0
115.03937	1.0
115.05454	1.1
117.07008	10.5
118.03511	1.0
119.04993	0.8
119.08572	22.9
121.06506	1.8
121.10142	12.6
123.08041	1.2
123.11706	2.3
125.05936	1.2
127.70440	0.8
128.06213	5.5
129.07002	10.8
130.07761	2.8
131.04901	1.1
131.08569	15.5
133.06444	3.3
133.10141	11.3
135.04245	1.0
135.11699	5.3
137.05983	1.9
137.13258	1.6
141.07005	2.1
142.07806	5.2
143.08556	24.0
144.09320	2.0
145.06464	1.6
145.10117	25.9
146.10901	1.0
147.08034	2.3
147.11685	21.2
148.12437	1.0
149.05968	2.0
149.13269	4.5
151.07541	3.3
155.08557	2.7
156.09367	2.7
157.06499	2.3
157.10123	25.4
159.08026	1.5
159.11678	15.2
160.12543	1.8
161.09639	2.5
161.13271	3.7
163.07529	2.0
163.14816	1.5
165.09166	2.0
168.09300	1.0
169.10103	1.6
170.10883	5.0
171.08043	7.1
171.11685	8.6
172.12445	0.8
173.09517	0.8
173.13322	3.4
175.07562	3.3
175.11095	1.3
175.14792	3.1
177.09111	2.0
179.08601	0.9
181.10149	2.5
183.11691	6.3
184.12466	1.9
185.09624	6.3
185.13240	20.8
186.92772	0.8
187.14851	1.4
189.09109	12.5
189.12738	0.8
189.16379	2.0
190.09322	0.8
194.10924	1.0
197.13390	0.9
199.11203	3.9
199.14815	28.5
200.66444	0.7
201.12239	1.6
201.16382	8.0
201.62144	1.1
203.10655	6.8
203.14357	0.9
209.13240	2.3
210.12663	1.6
212.11916	1.5
212.62892	1.1
217.12257	2.1
217.15883	2.3
224.63950	0.8
227.14301	34.4
227.17978	1.6
245.04341	1.3
245.15373	100.0
245.22589	13.8
245.26717	2.0
246.15721	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1535
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
53.03943	1.6
55.01862	0.7
55.05519	3.2
57.07061	1.5
59.16107	0.5
65.03927	1.3
67.05180	0.7
67.05503	8.5
69.07064	6.5
71.04964	0.6
71.61019	0.9
74.15698	0.5
79.05487	11.6
81.07053	14.0
83.04967	1.7
83.08604	1.1
85.02891	0.7
87.84221	0.5
91.05479	17.9
91.10835	0.5
92.06311	0.7
93.07041	19.4
94.22372	0.5
95.04962	2.4
95.08605	13.2
97.06504	0.7
97.10185	0.6
103.05460	1.1
103.06156	0.6
105.07027	26.6
107.04949	2.0
107.08592	23.6
107.34829	0.6
109.06512	2.0
109.10146	6.9
111.04436	2.7
114.62842	0.6
115.05464	1.6
116.06236	1.0
117.07014	9.9
117.22390	0.7
118.07818	0.6
119.04863	0.7
119.08582	20.1
121.06499	1.8
121.10136	11.2
123.08038	1.4
123.11694	1.9
125.05946	1.1
128.06203	6.0
129.07013	12.4
130.07764	2.4
131.04884	0.8
131.08568	16.0
133.06479	2.9
133.10121	10.8
135.08049	1.2
135.11688	4.6
137.05937	1.9
139.07526	1.4
141.06970	3.5
142.07782	6.7
143.08560	25.9
144.09341	2.7
144.36917	0.6
145.06427	1.2
145.10117	30.5
146.10857	0.5
147.08060	2.8
147.11684	19.4
148.12483	1.4
149.05952	1.6
149.13274	3.1
151.07529	4.8
153.06972	0.7
155.08583	3.3
156.09349	5.0
157.06505	2.4
157.10126	29.7
158.10870	1.0
159.08076	1.7
159.11690	14.3
160.12460	1.0
161.09607	1.5
161.13258	2.3
163.07574	1.1
163.14842	0.8
165.09050	1.3
167.08582	1.3
168.09300	1.7
169.10130	2.1
170.10880	4.6
170.12166	0.6
171.08047	5.9
171.11681	12.1
172.08777	0.7
173.09628	1.0
173.13255	3.7
175.07533	2.5
175.11224	1.0
175.14815	2.1
177.09177	1.8
181.10127	1.0
183.10243	0.8
183.11708	10.0
184.12460	2.2
185.09665	7.6
185.13254	32.4
186.13942	1.2
187.14767	0.6
189.09090	10.0
189.12846	0.7
189.16373	2.3
191.10643	0.7
197.09772	0.8
197.13242	1.1
198.10451	0.8
199.11258	2.6
199.14824	32.6
200.15279	0.9
201.16356	6.7
203.10652	7.3
203.14359	0.5
203.17801	0.8
209.13280	3.0
212.11975	1.3
217.12241	2.3
217.15886	1.7
227.14296	39.7
228.14577	0.9
245.15369	100.0
245.22548	9.7
246.15683	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1538
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
51.14672	0.8
53.03948	1.3
55.05511	5.5
57.07069	2.0
59.61802	0.7
67.05506	9.0
68.95621	0.7
69.03401	0.8
69.07073	5.8
70.93094	1.4
70.93453	2.0
73.77062	0.8
78.32243	0.7
79.05496	11.0
81.07063	11.8
83.08613	2.6
85.02901	0.9
87.04485	1.0
91.05484	18.2
93.07053	17.7
95.04974	2.8
95.08617	16.0
97.06544	1.2
97.10177	2.2
105.07033	23.4
107.04940	1.8
107.08602	20.9
109.06511	2.6
109.10175	5.9
111.04424	2.6
115.05505	2.1
117.07029	9.4
119.04939	0.8
119.08586	19.7
121.06508	1.8
121.10138	9.4
123.08066	1.3
123.11716	2.2
125.05981	1.4
125.09622	1.0
128.06230	4.3
129.06996	10.5
130.07790	2.9
131.08589	16.4
133.06479	2.3
133.10143	10.1
135.11700	4.5
137.05988	2.2
137.13315	1.0
139.07526	0.9
141.06978	2.9
142.07732	6.0
143.08565	23.2
144.09300	1.9
145.06496	0.9
145.10129	25.3
147.08047	2.8
147.11691	19.1
148.12444	1.6
149.05991	1.9
149.13257	3.8
151.07538	2.4
153.06984	0.9
155.08545	2.6
156.09305	4.1
157.06544	1.3
157.10139	27.1
159.08067	1.9
159.11696	13.7
160.12489	1.6
161.09633	1.6
161.13292	2.4
163.07532	1.5
163.14842	1.9
165.09161	1.3
167.08614	1.1
168.09320	1.3
169.10190	1.4
170.10934	2.7
171.08034	5.9
171.11693	11.1
173.13257	3.3
173.62802	0.8
175.07562	3.1
175.14842	3.1
177.09074	1.9
181.10094	1.8
183.11665	7.0
184.12505	2.0
185.09653	5.9
185.13261	27.7
186.10359	0.9
186.13815	1.0
187.14798	2.2
189.09117	10.5
189.11153	2.2
189.16336	2.3
197.09604	0.9
199.11169	2.7
199.12953	1.5
199.14835	28.6
201.16411	6.2
203.10687	7.1
209.13318	3.6
212.11877	1.3
217.12263	2.4
217.15965	1.7
221.70143	0.8
227.14316	34.8
228.14859	1.0
245.15395	100.0
245.22604	16.2
246.15683	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1534
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
50.67126	0.5
51.02370	0.5
53.03934	0.8
55.01862	0.6
55.05510	3.1
57.07054	1.6
67.05499	7.2
69.03444	0.7
69.07060	5.9
70.35612	1.9
72.42243	0.5
79.05485	8.7
81.07053	12.3
83.04942	0.8
83.08601	1.3
84.50468	0.5
91.05477	16.0
93.07039	15.4
95.04950	1.6
95.08600	14.3
95.60652	0.5
97.06503	0.5
97.10139	1.2
103.05446	1.1
105.07026	22.7
107.04960	1.6
107.07854	1.1
107.08589	19.2
109.06519	1.7
109.10147	6.0
111.04449	2.4
115.05452	1.5
117.07005	6.4
119.04950	0.9
119.08582	17.7
121.06515	2.0
121.10143	11.1
123.08058	1.5
123.11708	1.4
125.05981	1.3
127.38407	0.5
128.06218	5.0
129.06137	0.8
129.06998	8.7
130.07774	2.2
131.08571	14.1
133.06474	3.2
133.10120	11.3
135.07956	0.7
135.11661	4.2
137.05984	2.0
137.13245	0.7
139.07590	1.1
141.07021	2.5
142.07782	5.2
143.08557	20.8
144.09294	1.7
145.06473	1.3
145.10124	26.9
146.10855	1.1
147.08081	2.5
147.11685	18.4
148.12434	1.5
149.05966	1.8
149.13255	3.5
151.07549	2.9
155.08531	2.5
156.09329	3.2
157.06532	0.7
157.10123	25.3
158.10806	0.9
159.08005	0.9
159.11690	14.6
160.12410	0.9
161.09644	1.8
161.13231	2.6
163.07539	2.1
163.14825	2.1
165.09132	1.5
167.08556	1.5
168.09312	0.8
169.10114	1.9
170.07239	0.7
170.10907	3.9
171.08067	4.8
171.11685	10.1
172.08942	0.5
173.13271	3.2
175.07545	3.5
175.11208	1.3
175.14804	3.1
177.09079	2.7
181.10106	1.2
183.11711	9.2
184.12466	1.7
185.09665	6.8
185.13239	25.9
186.13889	0.6
187.14873	0.9
189.09108	11.0
189.16406	2.5
194.10904	0.5
197.13245	0.6
198.10480	0.9
199.11102	2.7
199.14824	28.4
201.16367	7.6
203.10707	7.3
209.13277	3.9
209.38680	0.5
212.11877	1.4
217.12262	2.0
217.15874	1.5
218.38052	0.4
227.14297	37.6
228.14656	0.6
245.15367	100.0
245.22606	15.6
246.15675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1536
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
53.03933	2.0
55.05509	8.2
55.84508	1.0
57.03418	0.9
57.07063	2.5
61.11226	1.0
63.11135	0.9
64.59958	1.0
65.03936	1.1
67.05502	11.7
69.03453	0.9
69.07070	9.1
69.97309	5.1
71.08624	1.1
79.05488	14.0
81.07056	18.0
83.04975	3.0
83.08610	3.2
87.04445	0.9
91.05480	24.5
93.07040	20.6
95.04964	3.8
95.08607	20.0
96.45428	1.0
97.02876	1.5
97.06525	1.1
97.10157	2.3
103.05457	1.6
105.07026	29.4
107.04949	1.5
107.08593	24.0
109.06536	1.5
109.10168	9.0
109.67352	1.0
111.04417	2.0
113.03463	1.6
115.03941	1.1
117.07014	9.6
119.08585	22.9
121.06506	2.5
121.10143	13.9
123.08057	2.0
123.11691	3.6
128.06206	5.0
129.07004	9.0
130.07762	3.3
130.84210	1.1
131.08565	14.8
133.06488	2.8
133.10127	18.1
135.08078	1.2
135.11693	7.3
137.05983	2.2
141.07051	2.0
142.07780	6.3
143.08559	21.1
144.09317	1.7
145.06419	1.9
145.10117	26.4
147.08032	2.8
147.11693	23.6
149.06021	2.1
149.13261	4.0
151.07545	2.7
155.08565	2.8
156.09331	3.4
157.10123	27.9
159.08017	1.6
159.11699	12.6
160.12503	1.3
161.09645	2.1
161.13254	7.4
163.07581	2.7
163.14815	3.4
165.09082	1.6
166.07996	1.1
167.08598	1.1
169.10175	2.3
170.10924	4.6
171.08035	4.9
171.11690	10.2
173.13246	2.6
175.07536	2.8
175.11177	1.2
175.14836	8.7
177.09138	2.0
183.11633	6.7
184.12486	3.0
184.46431	1.3
185.09639	6.6
185.13264	27.2
187.14825	1.1
189.09119	10.1
189.16389	2.7
199.11156	3.8
199.14828	30.2
201.16426	5.9
203.10638	6.4
203.17776	1.3
209.13248	3.1
212.11981	1.7
217.12230	2.0
217.15935	2.4
227.14317	32.9
245.04402	1.2
245.15378	100.0
245.22641	38.8
246.15712	1.4
249.79272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1536
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
53.03945	1.0
55.01860	0.8
55.05516	4.4
57.07071	1.2
58.18538	0.7
67.05508	7.5
69.03410	1.1
69.07069	5.8
69.42163	5.3
70.15474	0.8
72.18185	0.7
73.06510	0.7
79.05493	12.7
81.07055	12.9
83.04979	0.9
83.08615	2.7
85.02855	0.7
90.93581	0.8
91.05483	16.9
93.07050	17.6
95.04947	1.4
95.08607	14.9
98.20686	1.4
103.05447	1.0
105.07028	27.4
107.04935	1.3
107.08595	22.4
109.06493	2.7
109.10155	6.5
111.04417	2.6
115.05448	1.8
117.07020	8.0
119.04943	0.9
119.08582	20.9
121.06512	2.8
121.10142	12.0
123.08084	1.0
123.11694	3.1
125.06028	1.1
128.06206	5.7
129.07005	10.4
130.07768	2.1
131.08572	14.9
133.06474	2.7
133.10136	11.4
135.08066	1.5
135.11703	4.1
137.05988	2.7
137.13229	1.4
139.07559	1.5
141.07008	3.5
142.07790	6.6
143.08568	28.0
144.09341	1.5
145.06544	1.2
145.10127	27.0
146.10942	1.5
147.08070	1.9
147.11684	18.9
147.12791	1.4
148.12502	0.8
149.06010	1.3
149.13300	3.5
151.07523	2.7
153.06926	0.7
155.08517	4.0
156.09308	3.5
157.06566	1.1
157.10129	27.3
159.08034	1.7
159.11713	12.1
160.12357	0.8
161.05916	0.7
161.09596	2.6
161.13249	3.2
163.07558	2.1
163.14865	1.6
165.09102	1.6
167.08540	2.5
168.09309	1.7
169.10118	2.2
170.10918	5.6
171.08052	5.9
171.11673	12.0
173.09586	0.9
173.13260	2.1
175.07565	3.1
175.11179	1.0
175.14833	2.8
177.09068	2.2
181.10164	1.6
183.07947	0.8
183.11697	8.7
184.12468	1.9
185.09660	7.5
185.11583	1.6
185.13263	32.2
187.14793	1.4
189.09105	7.7
189.16394	1.5
194.10950	1.2
197.13284	1.1
198.10406	1.5
199.11154	2.8
199.14824	35.6
200.15147	0.7
201.16402	6.9
203.10689	7.6
209.13232	3.3
212.11966	1.7
217.12234	1.6
217.15840	2.6
227.14304	39.0
245.15376	100.0
245.22655	13.3
246.15698	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1537
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
50.06807	0.7
53.03928	1.5
55.01851	0.8
55.05501	4.9
57.07073	1.6
64.93410	0.6
65.03928	1.2
67.05497	10.4
69.03419	0.8
69.07062	8.4
70.03005	3.3
70.91192	0.8
79.05063	1.0
79.05489	12.4
81.07055	14.9
83.04977	1.7
83.08619	2.0
85.02910	1.0
87.04479	1.0
91.05476	19.0
93.06467	1.3
93.07038	20.4
95.04969	2.1
95.08601	17.5
97.02914	0.8
97.06531	0.7
97.10165	1.6
98.21413	0.8
103.05434	1.0
105.07027	32.8
107.04967	1.8
107.08590	22.8
109.06501	2.1
109.10138	8.7
111.04430	1.9
111.11704	0.7
115.05423	2.1
116.06262	0.8
117.07015	11.2
119.04930	1.0
119.08577	23.7
121.06480	1.9
121.10142	11.2
123.08018	1.5
123.11670	3.1
125.05961	2.1
128.06232	6.0
129.06990	12.9
129.79153	0.6
130.07779	3.6
131.04893	1.3
131.07573	1.0
131.08559	17.0
133.06494	3.2
133.10129	12.5
135.08031	1.8
135.11674	5.5
137.05966	2.0
137.13292	1.1
139.07516	1.2
141.06990	2.7
142.07802	6.4
143.08560	26.1
144.09361	2.9
145.06436	1.5
145.10117	28.5
146.10785	0.8
147.08012	2.9
147.11679	23.1
148.12480	1.5
149.05986	2.7
149.13268	5.2
151.07547	3.6
155.08524	3.3
156.09334	4.4
157.06514	1.6
157.10129	26.0
158.10863	0.9
159.08032	1.3
159.11682	15.3
160.12366	1.3
161.09602	2.5
161.13309	4.3
163.07507	2.2
163.14822	2.3
165.09126	1.3
167.08473	1.5
168.09322	0.9
169.10136	1.7
170.10872	4.7
171.08031	5.9
171.11665	12.5
172.08849	1.1
173.09683	1.3
173.13290	3.9
175.07564	3.8
175.11142	0.8
175.14861	3.3
177.09120	2.7
181.10097	1.7
183.11697	8.7
184.12460	1.9
185.09651	6.4
185.13254	27.0
186.13745	1.2
187.14738	1.1
189.09103	10.9
189.16365	2.9
194.10806	0.8
199.11195	3.3
199.14816	30.3
201.16350	6.6
203.10663	7.8
203.14287	0.7
203.18062	0.9
209.13219	3.0
212.12019	1.0
217.12263	3.1
217.15915	2.1
227.14299	37.5
228.14584	0.8
245.15364	100.0
245.22675	20.6
246.15669	2.6
246.22153	2.0
259.38940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1499
Annotation	Leucyl-4-hydroxyproline
Peak:m/z	Relative Intensity
55.01857	4.2
55.05504	12.8
55.65787	3.4
56.05050	20.0
56.96564	27.8
57.03421	8.0
57.07074	28.0
58.06584	6.0
59.06081	4.8
60.04516	8.3
61.02868	3.6
67.05489	15.3
69.03410	8.0
69.07060	11.6
70.02951	3.4
70.06599	22.6
71.04975	11.6
71.58572	3.6
71.58934	5.9
72.08135	17.3
72.08496	3.6
74.02460	7.8
76.04002	13.0
79.05482	11.3
81.03432	6.1
81.07051	29.2
81.33098	4.4
82.05308	7.9
83.04980	11.7
83.06116	21.0
84.04507	81.8
84.08160	22.1
84.08590	5.4
85.02895	9.0
85.06069	3.4
85.06554	20.2
86.06054	15.4
86.09708	18.7
87.04447	7.7
87.05588	8.8
89.03885	5.4
89.38773	4.0
90.94857	4.3
91.05478	8.5
93.07051	5.2
93.73647	3.2
95.04986	6.9
95.08617	25.2
97.02895	11.8
97.06519	4.4
98.97572	12.3
99.04449	4.5
100.03999	5.8
102.05554	26.0
105.07047	7.2
107.08563	7.4
109.02952	4.2
109.06477	6.9
111.05569	91.0
113.03513	6.4
113.09668	9.8
115.03896	8.3
116.98579	9.1
117.03416	9.0
118.08650	24.4
121.02881	4.6
121.06493	5.9
127.03923	4.3
128.06209	3.7
128.10719	4.1
128.11847	4.0
129.10222	7.3
129.11516	4.6
130.05014	10.5
130.12257	4.2
131.08502	4.9
133.06094	38.4
134.99600	8.0
140.10707	66.9
142.03168	6.6
142.05084	6.6
142.08620	6.1
142.12267	8.5
143.00130	6.0
144.08070	11.2
145.02797	23.6
147.04317	5.4
149.05986	6.5
149.09633	5.2
149.96088	5.7
161.01213	12.6
171.11665	4.7
177.00644	4.0
177.05466	47.3
182.11737	15.0
185.02890	5.1
186.11253	100.0
199.14430	29.8
200.12849	4.4
203.02292	6.6
209.12910	10.6
210.05569	8.8
210.07481	9.0
227.10776	4.9
227.11613	5.0
227.13933	74.8
228.08682	8.8
228.12306	8.9
231.01701	8.1
245.04596	11.9
245.11731	8.6
245.15015	96.2
246.09474	6.0
246.13382	9.1
249.02802	12.5
258.04047	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	244.2061
Annotation	Phencyclidine
Peak:m/z	Relative Intensity
50.07495	0.8
55.05495	3.1
55.05734	0.7
56.96569	13.4
57.07070	4.1
58.06598	0.7
62.06072	1.7
65.03939	1.0
67.05506	4.4
69.07048	2.7
71.08630	1.4
71.60300	1.0
79.05479	2.5
81.07059	8.3
83.08633	0.8
84.08133	1.9
85.10172	0.7
91.05477	5.5
91.56181	0.8
93.03384	2.2
93.07051	10.4
95.04964	0.7
95.08611	11.3
96.08104	0.9
98.09739	0.7
100.02470	0.8
102.01534	2.1
105.07033	16.8
107.04996	0.8
107.08593	13.3
108.08110	1.3
109.10158	7.0
110.09676	1.6
111.02054	4.9
113.19762	0.9
113.47853	0.7
117.07003	0.9
119.08584	20.6
121.06494	2.7
121.10146	4.5
122.09660	1.7
123.11696	2.0
124.11240	2.0
131.08553	2.3
133.10144	7.7
135.11719	1.7
143.08565	0.9
145.10143	5.9
147.08018	1.5
147.11694	10.7
148.02809	2.4
148.11205	0.8
156.09161	0.8
157.03323	3.9
157.10139	2.3
159.11705	2.6
159.53622	1.3
161.09627	1.2
161.13248	3.9
163.11186	14.7
164.11510	2.1
168.54175	1.1
171.11685	1.4
175.14824	0.8
176.14316	1.4
179.10789	0.8
181.01790	1.3
183.06691	1.5
185.01224	2.1
185.13269	1.6
187.14853	6.3
188.14301	0.9
192.07196	1.9
194.57489	0.7
199.02841	1.7
202.16066	0.9
203.02232	1.1
203.17955	7.5
203.58028	1.6
213.04280	1.2
217.03777	1.3
218.10600	1.0
218.14249	0.7
226.18022	1.0
226.25391	0.9
227.11197	2.4
227.18076	1.0
227.61411	0.8
231.05470	1.6
238.61974	1.0
239.09309	0.9
240.10123	1.8
244.20624	100.0
244.26292	18.7
245.20905	1.2
255.09090	3.3
256.46313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57150	0.2
53.79692	0.2
56.22659	0.3
56.96550	0.4
58.99845	0.3
63.44864	0.2
69.03416	0.6
70.02429	1.3
71.03013	0.2
77.00905	0.3
77.10520	0.2
81.03406	0.4
93.07072	0.2
97.02907	1.3
98.97556	0.5
101.00868	3.7
102.96851	0.6
103.00618	0.3
103.02440	0.3
105.00374	0.5
113.00833	0.5
115.02391	0.4
116.98636	0.6
117.07037	0.2
119.01919	20.4
120.02000	1.7
120.97895	0.8
121.01666	4.2
121.02454	0.4
121.03519	0.3
127.03937	0.4
131.01918	3.4
133.03448	0.7
134.99689	0.6
136.99611	0.5
137.02957	6.4
138.03081	0.7
138.98915	0.9
139.02692	1.8
142.03461	1.0
142.98586	0.3
143.01897	5.0
145.03464	3.5
147.01366	0.7
147.05028	0.4
149.02945	1.0
149.06567	0.8
151.04424	0.3
154.00999	0.3
155.00780	0.4
155.01884	1.2
156.99921	0.3
157.03470	4.1
159.05045	0.3
160.04553	0.5
160.99634	0.7
161.02959	23.4
162.03036	0.2
163.04495	1.1
165.02495	0.3
167.01968	0.4
169.03423	0.4
171.05040	0.4
173.02950	4.4
175.04538	5.1
177.00916	0.9
177.02528	0.4
177.09744	0.3
178.01047	1.3
179.00703	19.4
179.03970	2.0
180.00746	0.6
180.04137	0.7
184.04576	0.9
184.99556	0.3
185.02945	4.8
187.04495	1.4
189.06035	0.6
191.04033	1.6
195.03835	0.4
197.03108	1.9
199.00850	0.4
199.04427	1.1
201.02814	0.2
202.02364	0.3
203.00705	0.9
203.02408	0.2
203.03979	6.2
206.84126	0.2
207.51909	0.4
208.04463	0.3
215.04007	1.7
217.01865	0.5
217.05630	0.6
219.01935	0.8
219.03864	2.7
220.02118	1.4
221.01772	22.7
221.05144	1.6
222.02031	1.9
222.09651	0.3
222.54106	0.3
226.05577	0.3
227.00677	1.9
227.03917	1.1
233.05083	1.2
244.03439	1.0
244.98155	0.5
245.01889	6.7
245.05064	19.8
245.12315	1.8
245.14977	0.4
245.22655	0.7
246.05334	0.4
261.03128	0.6
263.02875	100.0
263.05972	4.1
264.03036	2.1
265.03366	0.4
268.03326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2061
Annotation	Phencyclidine
Peak:m/z	Relative Intensity
55.05495	1.7
56.05025	0.6
58.06600	3.5
67.05490	2.6
69.07063	4.4
69.38877	6.2
69.39214	0.8
79.05474	2.4
81.07058	7.5
83.04988	1.1
83.08607	1.5
85.98460	0.6
89.90537	0.5
91.05478	8.4
93.07049	3.7
94.06577	5.1
95.08599	4.0
95.13087	0.7
96.08126	1.5
105.07039	11.0
106.07355	0.8
107.08604	4.3
108.07535	0.7
108.08126	8.2
109.10140	3.4
117.06999	3.0
119.08584	7.5
120.08078	0.7
120.08892	0.8
121.10129	2.8
123.11687	1.0
128.06213	1.9
129.06966	3.7
130.07787	1.0
131.08571	22.7
132.08936	1.0
133.10114	2.4
135.11687	1.3
142.07724	0.9
143.08562	7.6
144.09091	0.6
145.10117	10.9
146.09592	1.6
147.11681	6.7
149.13269	1.1
155.08496	0.9
156.09161	1.3
157.10152	3.1
158.10519	0.8
159.11668	2.7
160.11189	2.5
161.13229	1.1
163.14859	1.0
169.10042	0.8
170.10562	0.7
171.11661	4.9
173.13341	0.7
174.13666	0.7
183.11320	1.8
184.12059	1.8
185.13232	3.4
186.12759	1.7
187.14822	5.5
195.08987	0.7
198.13565	2.5
199.14859	1.4
203.17947	2.9
216.11130	0.7
216.17459	0.6
226.13072	3.3
227.17943	6.9
244.14285	5.8
244.20610	100.0
245.15361	1.0
245.21021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	3.5
60.08167	20.2
61.22178	0.4
68.05022	1.8
68.39277	0.4
69.03433	0.5
70.18639	2.0
70.98122	0.4
71.95264	0.5
72.08153	0.9
72.96017	0.5
82.05312	0.5
83.07368	0.5
84.08121	0.5
85.02872	0.6
93.04500	1.1
94.05308	1.5
95.02435	1.4
97.02916	0.5
98.97585	2.5
99.01427	1.2
112.05093	50.8
113.03503	1.1
116.98611	1.6
118.39115	0.5
119.01861	0.5
124.95519	0.5
126.02488	39.8
131.00145	0.4
134.99716	0.9
141.04816	100.0
142.05128	0.8
142.96562	0.6
157.04305	1.7
160.97620	0.7
170.95990	0.7
185.03883	0.7
188.97067	2.9
200.12181	31.8
206.98109	2.3
211.98766	0.5
244.09116	0.4
244.11189	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	244.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
57.07056	2.6
58.06616	1.5
67.05510	3.6
68.84048	0.8
69.07050	3.3
71.08623	0.9
71.60031	1.4
71.60395	0.7
72.27455	0.7
73.30724	0.6
79.05501	3.8
81.07062	9.0
83.08587	1.5
87.04451	1.7
91.05483	5.1
93.07047	6.7
94.06608	0.9
95.08611	10.6
96.08127	2.0
97.10175	1.1
98.09725	0.7
105.07028	10.5
106.41246	0.7
107.07382	1.1
107.08598	8.2
108.08108	2.8
109.10149	6.2
115.03939	0.9
117.07008	1.9
119.08579	10.2
120.08875	1.3
121.10123	3.5
122.09668	1.4
123.11675	1.3
124.11224	0.7
128.06140	1.4
129.07014	1.4
131.08577	9.1
133.10167	4.4
135.11699	1.8
142.07722	0.8
143.08571	4.9
145.10127	10.4
147.11702	10.2
148.11165	2.0
156.09386	1.1
157.10114	6.2
159.11694	3.5
160.11246	2.0
161.13225	3.8
168.08966	1.0
169.10049	1.2
170.10535	1.2
171.11694	11.8
173.13235	1.1
175.14764	1.1
183.11423	2.1
184.12074	2.0
185.13197	2.8
187.14857	11.2
198.13625	3.0
199.14775	1.7
203.17975	13.2
226.13104	3.6
227.14226	1.2
227.17941	8.0
244.14200	7.4
244.20605	100.0
245.15363	2.6
261.24869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0931
Annotation	Cytosine arabinoside
Peak:m/z	Relative Intensity
55.01865	0.4
56.96296	0.5
56.96568	6.4
57.03430	0.9
60.08171	3.5
61.02919	1.1
68.05026	0.3
69.03419	0.6
69.04558	0.7
70.06591	1.1
70.82996	0.7
70.83340	0.4
70.98126	0.3
71.95278	0.5
72.08147	1.9
72.96027	0.4
73.02905	0.4
75.24846	0.3
76.91867	0.3
84.04496	0.4
84.08134	1.3
85.02911	0.8
86.09682	0.4
89.57566	0.3
92.05781	0.3
94.02271	0.3
94.05309	0.3
95.02457	2.1
98.97585	3.4
101.00858	0.5
103.89323	0.3
110.62012	0.3
112.05091	100.0
113.03475	1.5
113.05437	0.3
116.07101	0.4
116.98606	2.6
119.01913	1.3
124.95488	0.5
126.02486	7.9
127.20530	0.4
134.99673	1.6
141.04814	18.2
142.96510	1.1
146.99510	0.3
149.01131	0.3
160.97617	0.8
163.04352	0.8
170.95978	0.5
184.04520	0.3
185.02997	0.5
187.00385	0.4
188.97083	4.8
193.00235	0.4
193.75653	0.3
200.12155	6.8
202.03983	0.4
202.98642	0.9
206.98146	3.2
211.98770	0.5
219.01625	0.3
220.99666	1.1
229.99680	0.4
239.08591	0.3
244.11154	1.4
244.16725	0.6
245.05150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.8
56.96569	7.4
67.05494	2.4
69.03416	3.4
70.06605	4.5
71.60344	2.0
72.08151	3.4
73.02917	3.0
73.53056	2.0
74.02428	4.8
77.60180	2.1
81.07066	3.0
84.04564	2.4
84.08153	4.7
85.02905	6.2
86.09711	5.0
91.05466	4.8
94.06609	2.3
97.02928	4.5
98.97564	3.4
112.03978	2.3
116.65993	2.3
116.98648	4.7
117.05762	13.1
118.08658	3.3
127.03918	2.6
129.07039	4.4
130.06540	36.9
131.07323	5.7
134.99664	4.1
140.77243	1.9
143.07327	9.1
144.08092	12.4
154.06535	11.1
155.06021	4.6
156.08063	12.6
157.07632	16.5
158.06038	7.1
158.08406	5.6
169.05301	6.9
171.09154	23.9
181.07559	18.8
182.06064	4.7
182.08424	2.5
183.09193	9.2
185.07111	52.1
198.10242	20.9
198.11786	2.5
200.07011	2.0
209.07179	8.1
216.67055	2.3
226.11110	2.1
227.08170	100.0
244.10771	17.7
244.21413	4.4
264.41037	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	244.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79927	0.4
56.96563	0.9
60.08162	20.2
67.04214	0.4
68.05034	2.4
69.03426	0.5
70.06583	1.8
70.28989	0.7
70.29401	1.1
73.02881	0.4
83.07346	0.4
84.04507	0.7
84.08137	2.4
93.04522	0.9
94.05299	1.4
95.02417	0.6
97.02876	0.6
98.97565	0.5
99.01420	1.5
101.00877	0.8
104.10726	0.9
105.11060	0.8
107.06070	0.4
112.05090	26.7
116.07082	0.7
118.08625	1.4
119.01920	2.5
126.02480	43.2
131.01915	0.8
139.46437	0.4
141.04808	100.0
142.01744	0.5
142.05147	0.5
143.01820	0.5
145.03438	0.5
147.07581	0.4
155.01898	0.7
157.03264	0.7
157.04340	1.4
161.02989	1.5
166.09763	0.4
173.02945	1.0
175.04507	0.6
185.02788	0.7
200.12166	41.3
201.12408	0.6
203.03754	0.6
212.10320	0.8
221.04948	0.6
221.66714	0.4
239.05956	0.4
244.11086	9.6
244.16589	0.5
245.05208	1.0
259.23856	0.4
261.97128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.1
57.07059	1.2
59.63487	0.4
64.93574	0.4
67.05509	2.3
67.98379	0.3
69.07060	4.3
69.38895	0.8
69.39308	2.7
79.05494	1.8
81.07051	7.9
83.08611	1.8
91.05475	3.5
93.07037	4.8
94.15343	0.4
95.08600	7.6
97.10202	0.6
102.41026	0.4
105.07021	6.6
107.08582	7.0
109.10150	4.3
117.07023	2.9
119.08576	11.4
121.10146	6.1
123.11683	2.4
127.94910	0.4
128.06165	0.4
129.06987	1.4
130.07767	0.6
131.08559	10.4
133.10124	9.3
133.58844	0.4
135.11665	5.3
141.06976	1.0
143.08571	3.3
144.09312	1.7
145.10117	16.0
146.10849	0.6
147.11685	6.6
149.13258	1.5
155.08557	1.8
156.09328	1.2
157.10114	3.7
158.10927	3.0
159.11690	18.8
161.09570	0.5
161.13239	4.4
167.08551	0.6
169.10078	2.5
170.10930	0.4
171.11691	2.8
172.12431	1.1
173.09633	2.9
173.13260	26.9
174.13969	1.5
175.14790	1.3
181.10062	0.4
182.10915	1.7
183.11681	2.6
185.13318	2.3
186.13783	0.5
187.11212	2.6
187.14816	16.0
197.13269	2.1
199.14833	5.2
200.15521	1.4
201.12735	0.8
201.16417	8.6
213.16338	1.5
214.17050	0.6
215.14331	0.7
215.17940	2.0
225.12769	3.0
225.16319	2.5
228.18692	1.8
243.13982	4.3
243.17514	16.0
243.21071	100.0
244.21198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36028	0.9
52.18239	0.9
55.05508	4.9
57.07069	2.1
67.05499	4.0
68.23652	0.9
69.07066	4.2
69.42397	9.1
71.05436	0.9
79.05484	2.9
81.07060	7.3
83.08611	4.0
91.05495	3.0
93.07038	6.9
95.08607	9.9
95.96655	0.9
97.10165	1.5
105.07028	11.1
107.08601	11.9
109.10139	5.8
117.07034	2.6
119.07796	1.4
119.08583	18.1
121.10141	11.2
123.11710	3.8
125.49916	1.0
129.07002	1.1
131.08585	12.8
133.10130	13.8
135.11691	10.3
143.08562	3.4
144.09309	1.5
145.09035	1.7
145.10123	20.2
147.11676	8.9
149.13289	2.8
155.08502	1.6
157.10117	2.9
158.10901	2.9
159.11705	25.5
161.13243	5.3
169.10077	2.2
171.11713	1.9
172.12308	1.7
173.09619	1.0
173.13287	29.5
175.14816	1.9
182.10825	0.9
183.11681	3.3
183.29472	0.8
184.06149	0.9
185.13254	1.5
187.11232	1.8
187.14839	24.3
191.96635	1.0
192.28796	1.1
192.62100	0.8
197.13289	2.1
199.14850	2.8
200.15440	1.1
201.16373	10.1
207.11697	1.0
213.16368	1.3
214.17125	1.1
215.17937	2.7
225.12791	2.8
225.16342	1.8
225.60254	0.9
228.18683	1.3
243.06425	1.7
243.13988	5.8
243.17691	8.2
243.21098	100.0
243.28725	2.2
244.21512	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79381	0.6
54.76208	0.6
55.05513	4.0
56.96572	0.6
57.07064	2.4
67.05510	4.2
69.07073	5.7
70.62130	2.0
73.79424	0.6
79.05502	3.1
81.07056	12.0
83.04989	0.6
83.08619	3.1
91.05482	3.4
93.07048	8.4
95.04965	0.6
95.08605	11.4
97.10165	1.1
105.07034	10.2
107.08585	9.8
109.06530	0.6
109.10149	7.0
111.11745	0.6
115.05449	0.9
117.07008	1.9
119.08576	14.3
121.10152	10.8
123.08065	0.5
123.11691	3.7
128.06276	0.6
129.06964	1.0
131.08578	13.0
133.10133	10.1
135.11710	6.8
137.13243	0.9
143.08539	2.6
144.09340	1.1
145.09038	1.4
145.10138	17.6
145.11285	1.0
147.11699	8.3
149.13242	2.9
153.06905	0.6
155.08530	1.7
156.09337	1.0
157.10123	1.6
158.10901	1.8
159.08080	1.0
159.11711	18.1
161.13268	7.6
163.14812	0.7
169.10101	0.9
171.11671	1.3
173.13272	25.2
174.13969	1.0
175.14827	2.4
183.11700	1.8
185.09679	0.7
185.13254	1.9
186.13939	0.6
187.14838	18.0
197.13245	2.0
199.14806	2.1
200.15617	1.9
201.12805	1.0
201.16406	6.7
213.16335	0.8
214.17174	1.2
215.14285	0.6
215.17947	1.5
225.12784	2.4
230.37427	0.6
243.13992	5.2
243.21095	100.0
243.28734	1.5
244.20689	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	243.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.05508	3.8
57.07074	1.3
58.12415	0.3
60.95839	0.5
65.03922	0.5
67.05502	12.2
69.06715	0.4
69.07066	4.3
71.04984	0.4
71.08602	0.4
79.05054	0.4
79.05493	7.4
81.07053	13.5
83.08612	2.4
85.06505	0.3
91.05476	13.3
93.07041	8.6
95.04951	0.6
95.08604	11.0
97.10155	0.9
103.05432	0.4
105.07027	12.6
107.08596	6.6
109.09454	0.6
109.10152	7.3
115.05441	0.3
117.07010	7.4
119.08579	11.8
121.10143	10.2
123.11716	3.1
129.06985	1.2
130.07788	0.8
131.08562	17.0
133.10129	11.8
135.11684	6.9
137.13203	0.5
143.08525	0.8
144.09438	0.3
145.10114	15.2
146.10826	0.4
147.11687	13.1
148.17735	0.3
149.13258	3.8
151.11168	0.7
155.08533	0.6
156.09317	0.3
157.10086	1.1
158.10857	0.5
159.11685	14.1
161.13252	14.8
163.14830	1.1
169.10181	0.4
171.11678	1.2
172.12477	0.4
173.13257	17.8
175.14809	4.1
183.11682	0.4
185.13216	0.4
186.13989	0.4
187.13429	0.4
187.14815	11.3
197.13206	1.0
199.14799	0.4
201.16371	4.6
215.17952	2.7
225.12794	0.9
243.13811	1.7
243.21072	100.0
244.21085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.138
Annotation	Cordiachrome B
Peak:m/z	Relative Intensity
55.01852	0.7
55.05513	2.4
57.07054	0.8
61.87222	0.4
65.03908	0.7
67.05506	2.6
69.03407	0.7
69.07063	3.0
70.53547	1.2
73.02898	0.4
79.05497	3.4
81.06650	0.4
81.07049	5.1
83.08577	1.3
85.06512	0.4
91.04974	0.5
91.05470	7.4
93.07032	5.1
95.04937	1.0
95.08164	0.4
95.08597	4.2
97.02885	0.5
103.05443	0.7
105.07029	10.4
107.04927	0.4
107.08593	6.8
109.06486	0.8
109.10152	2.8
111.04376	0.5
115.05412	1.6
117.07011	4.2
119.04908	0.4
119.08577	13.1
121.06468	0.8
121.09448	0.4
121.10155	4.4
123.11655	1.2
128.06201	3.8
129.06998	6.2
130.07764	1.7
131.07591	0.9
131.08569	17.7
133.06476	1.2
133.10127	7.4
135.04399	0.4
135.11714	2.6
137.05916	0.6
141.06998	5.6
142.07773	5.6
143.07504	0.7
143.08560	12.3
144.09303	1.3
145.06480	0.9
145.10121	18.7
146.10910	11.7
147.07939	0.9
147.11685	9.3
149.05919	0.9
149.13235	1.8
153.07001	1.9
154.07733	2.2
155.08551	17.3
156.09354	6.2
157.06552	0.6
157.10124	13.4
158.10924	1.9
158.17400	0.4
159.08089	2.0
159.11697	6.9
161.13246	1.9
165.06985	1.4
166.07770	1.0
167.08559	10.0
168.09354	7.1
169.06508	1.1
169.10138	16.2
170.10916	2.5
171.08051	1.5
171.11691	7.0
172.08821	0.6
172.12415	1.1
173.05939	0.5
173.09674	2.3
173.13263	9.0
175.11249	0.5
175.14751	0.4
180.09268	0.4
181.10126	5.5
182.10912	18.3
183.08138	3.2
183.11688	31.0
184.12498	3.0
185.09618	1.4
185.13243	3.4
186.10466	0.6
187.07587	2.8
187.11211	2.3
187.14827	7.6
192.09375	1.3
195.08072	2.1
195.11693	1.7
196.08856	1.5
197.09636	2.2
197.13258	41.4
198.13873	0.6
199.11179	1.3
199.14813	7.0
200.00354	0.4
200.11911	0.5
201.09102	4.8
201.12767	4.7
201.16333	2.4
207.11673	2.2
210.10414	7.0
213.09177	0.8
215.10664	1.3
215.14281	5.4
215.17976	1.5
225.12740	54.8
226.13126	0.4
228.11464	2.6
243.13812	100.0
243.17516	8.8
243.21103	29.4
244.14128	1.3
261.14923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.138
Annotation	Cordiachrome B
Peak:m/z	Relative Intensity
50.68603	0.2
53.03954	0.5
55.01865	0.6
55.05515	2.6
55.24158	0.3
57.07066	1.1
64.24825	0.3
65.03938	0.5
67.05504	3.8
68.95905	0.3
69.03411	0.8
69.07072	3.4
69.63583	1.8
73.02898	0.3
79.05495	5.0
81.03428	0.4
81.07056	7.6
83.04990	0.4
83.08612	1.2
85.06579	0.3
91.05483	8.6
93.07047	7.1
95.04984	1.4
95.08610	6.8
97.02890	0.8
97.10160	0.4
98.21561	0.3
99.87096	0.2
103.05478	0.7
105.03378	0.3
105.07033	13.9
107.04953	0.9
107.08596	8.1
109.06503	0.9
109.10168	4.7
115.05418	1.8
116.06221	0.6
117.07021	6.7
118.07815	0.3
119.04955	0.3
119.08585	18.1
121.06496	0.9
121.10159	6.7
123.04417	0.4
123.08106	0.4
123.11721	1.4
128.06209	3.6
129.07014	6.9
130.07805	1.7
131.04947	0.4
131.08574	23.7
132.09415	0.5
133.06477	0.8
133.10138	9.8
135.04437	0.6
135.08051	0.8
135.11707	4.3
137.05992	0.4
137.13264	0.3
141.06996	7.5
142.07787	6.9
143.08569	13.5
144.09375	1.5
145.06474	1.7
145.10123	22.8
146.10910	15.3
146.12096	0.6
147.08032	0.5
147.11693	11.9
149.05959	1.0
149.13277	2.6
151.07582	0.3
153.06982	3.3
154.07793	2.4
155.08560	20.4
156.09354	7.1
157.06491	0.4
157.10138	15.3
158.07303	0.4
158.10927	2.8
159.08075	2.7
159.11700	11.9
161.09654	0.6
161.13266	4.4
163.07542	0.6
163.14830	0.7
165.07037	1.5
166.07755	1.2
167.08569	10.9
168.09357	8.3
169.06511	1.3
169.10127	16.0
170.07224	0.4
170.10916	3.0
171.08092	1.9
171.11699	7.1
172.12479	1.4
173.06013	0.6
173.09641	2.8
173.13269	12.8
174.14015	0.4
175.07549	0.5
175.11191	0.4
175.14839	1.3
179.08597	0.7
181.06593	0.5
181.10112	5.4
182.10918	20.4
183.08179	3.1
183.11702	32.8
184.08929	0.4
184.12457	3.2
185.09665	1.7
185.13261	3.8
186.10373	0.6
187.07552	2.6
187.11237	2.2
187.14835	9.8
189.09018	0.3
191.08525	0.4
192.09372	1.2
195.08051	2.3
195.11642	2.0
196.08855	1.0
197.09618	2.9
197.13266	41.8
198.13788	1.1
199.11168	1.7
199.14821	6.6
199.16580	0.6
200.11937	0.7
200.15511	0.6
201.09117	5.7
201.12764	5.2
201.16397	3.3
207.11710	2.8
209.09538	0.3
210.10416	6.9
213.09152	0.7
213.12744	0.6
214.09911	0.5
215.10909	1.5
215.14336	5.5
215.17798	1.9
225.12746	52.7
225.16393	1.5
226.13057	0.5
228.11441	1.8
243.13820	100.0
243.17421	8.1
243.21068	41.3
244.14201	0.9
244.20578	1.7
261.14935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.138
Annotation	4,4'-(2-Methylpropylidene)bisphenol
Peak:m/z	Relative Intensity
50.01586	0.3
51.02366	0.5
51.28161	0.2
53.03921	1.0
53.04133	0.2
53.38068	0.2
54.92646	0.2
55.01872	1.6
55.05268	0.2
55.05512	3.5
57.03420	0.5
57.07073	1.3
62.17937	0.2
63.02382	0.3
65.03921	0.7
67.05505	5.1
69.03430	2.7
69.07067	10.8
70.20669	0.2
70.50466	0.2
70.53714	0.4
70.54090	0.8
77.03892	0.3
79.05492	8.1
81.03416	1.3
81.07056	9.9
83.04971	1.3
83.08604	0.8
85.06515	0.4
91.05482	19.9
93.06478	0.5
93.07044	8.4
95.04964	3.0
95.08608	8.3
97.02905	0.3
97.06545	1.5
97.10133	0.3
103.05452	2.0
105.03364	0.8
105.04475	0.3
105.07031	16.6
107.04955	3.6
107.08598	8.3
109.05867	0.2
109.06528	2.5
109.10155	1.6
111.04429	0.8
111.08040	0.7
115.05450	2.8
116.06217	1.0
117.07019	11.9
119.04958	2.4
119.08581	14.3
120.05709	0.5
121.06508	5.3
121.09423	0.3
121.10141	3.2
123.04402	0.5
123.08063	2.5
123.11690	0.6
125.05992	0.3
125.09655	0.3
128.06215	4.6
129.07008	7.7
130.07790	2.1
131.04926	3.5
131.08569	20.2
132.05722	0.3
133.06493	12.1
133.10129	5.6
135.04433	2.5
135.08055	3.2
135.11664	1.7
135.37148	0.2
137.05936	0.8
137.09602	0.3
141.06992	10.5
142.07780	5.2
143.08566	14.2
144.05679	1.0
144.09341	1.8
145.05380	0.4
145.06483	7.4
145.10123	19.1
146.07237	0.5
146.10924	2.3
147.04410	14.8
147.08046	13.2
147.11690	3.5
149.05978	5.3
149.09616	0.8
149.13261	0.6
151.07541	0.5
152.06152	0.4
153.06987	3.2
154.07800	2.2
155.08557	17.5
156.09354	4.6
157.06497	1.4
157.10123	12.2
158.07294	1.4
158.10950	2.1
159.08058	13.7
159.11696	8.2
160.08795	0.7
161.05998	2.0
161.09608	1.2
161.13263	1.6
163.07559	2.5
165.06958	1.7
165.08946	0.2
166.07762	0.8
167.08569	6.5
168.09340	6.5
169.06487	3.1
169.10130	12.2
170.07199	0.4
170.10876	0.8
171.08034	2.0
171.11694	4.7
172.08855	1.9
172.12436	0.9
173.06030	2.5
173.09624	13.7
173.13258	11.0
173.14464	0.2
174.06836	0.3
174.10309	0.3
175.07544	4.4
175.11159	0.5
177.09166	0.3
179.08553	0.7
180.09332	0.4
181.06494	0.7
181.10144	3.8
182.07335	0.6
182.10910	10.0
183.08107	4.2
183.11697	19.7
184.08878	1.1
184.12480	1.5
185.09641	3.1
185.13243	2.1
186.10402	1.1
186.62433	0.2
187.07550	10.8
187.11177	4.2
187.14818	7.3
189.09074	0.7
192.09311	1.4
195.08035	2.4
195.11725	1.0
196.08783	1.3
197.09628	3.0
197.13260	27.6
198.13786	0.7
199.07640	0.4
199.11198	4.3
199.14821	5.2
200.08279	0.3
200.11928	1.2
200.15613	0.5
201.09114	6.3
201.12744	19.1
201.16299	1.4
207.11674	2.5
209.09525	0.3
210.10390	3.6
213.09123	0.8
213.12761	0.4
214.09851	0.8
214.17151	0.3
215.11023	2.7
215.14316	15.4
215.17873	1.0
225.12741	34.1
225.16380	1.3
226.13092	0.4
228.11453	1.1
234.57127	0.3
243.13808	100.0
243.17497	8.2
243.21086	12.4
244.14101	1.3
245.34592	0.2
248.75623	0.2
261.14917	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	243.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.8
55.01876	5.1
55.05521	15.6
56.96555	6.8
57.03439	13.1
57.07076	14.7
58.06078	1.9
61.02928	3.6
62.50883	2.2
65.03939	2.4
66.06409	1.8
67.05516	11.7
67.54626	2.0
69.03431	33.2
69.07064	11.3
70.06602	4.7
71.01355	3.8
71.04990	9.2
71.58671	3.8
72.08143	3.5
73.02909	3.9
79.05493	25.2
81.03423	18.0
81.06575	5.1
81.07057	100.0
83.04975	25.1
83.08608	3.2
84.04518	7.2
84.08147	7.4
85.02912	29.8
85.06550	6.3
86.09696	31.7
91.05479	18.5
93.07059	19.2
95.01323	3.3
95.04959	16.7
95.08611	12.5
97.02908	17.1
97.06532	8.6
98.97638	2.8
98.98473	4.0
99.04463	7.5
99.08105	12.3
102.05540	3.4
103.03957	3.3
105.07034	14.7
105.43046	2.5
107.04967	5.0
107.08601	6.8
109.02894	7.0
109.06503	11.2
111.04447	5.4
111.08067	6.2
115.03926	5.1
117.06982	5.6
119.04969	2.5
119.08588	15.1
121.06505	6.0
121.10223	2.7
123.04446	5.4
123.08089	13.2
125.06004	4.5
126.02525	2.2
127.03919	15.9
128.06252	3.9
129.05516	7.6
131.08565	7.4
133.06516	2.6
133.10129	6.9
135.08081	6.2
137.06001	3.4
137.09624	5.1
139.07602	3.9
141.01845	6.3
143.08614	6.5
145.05019	3.8
145.10139	4.3
147.04411	7.4
147.08032	11.9
149.06059	2.8
151.07541	4.1
155.07051	5.5
159.11684	3.6
161.09644	10.4
165.09142	13.2
173.13220	2.8
179.10654	6.1
181.04924	3.4
189.09145	7.4
195.10085	3.0
197.12971	4.2
207.10153	16.1
209.60539	2.3
215.13737	4.9
225.11107	17.0
243.06657	3.5
243.10081	4.2
243.12054	14.4
243.21136	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	243.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69349	2.1
53.03937	6.8
55.01873	12.1
55.05508	19.0
56.96551	4.5
57.03433	10.5
57.07082	2.4
61.02920	5.7
63.81177	2.0
65.03935	2.2
67.05492	16.8
69.03427	35.4
69.07062	17.7
69.99152	7.5
69.99566	4.7
70.06580	4.1
71.01340	3.8
71.04997	9.3
73.02921	5.1
79.05491	31.0
81.03416	26.2
81.07055	100.0
83.04979	39.6
83.08614	3.8
84.04509	19.0
84.08128	3.4
85.02898	22.0
85.06510	2.9
86.09702	32.8
87.04467	2.5
91.05479	18.4
93.07037	34.3
94.47853	1.8
95.04970	28.6
95.08601	22.1
97.02883	26.9
97.06528	12.4
98.20721	2.2
98.97575	3.1
99.04456	11.3
99.08085	3.9
101.02377	2.3
102.60883	1.8
103.03940	4.1
105.07020	19.9
107.04958	9.8
107.08572	15.9
109.02890	5.0
109.06510	20.7
109.10139	5.4
111.04457	9.7
111.08070	16.5
113.02331	2.0
113.06011	3.1
115.03929	7.1
116.07018	2.0
117.07014	7.2
119.08577	16.7
121.06502	10.2
121.10153	3.1
123.04419	7.1
123.08067	35.6
125.05982	3.6
127.03864	9.3
128.06200	4.7
129.05536	3.5
129.06624	3.8
131.04865	2.2
131.08560	11.9
132.10196	3.4
133.06445	3.4
133.10136	7.1
135.08054	14.6
137.05968	4.0
137.09619	9.2
139.07529	6.2
140.04651	2.6
141.05489	6.3
143.08569	9.1
145.04924	3.1
145.06499	3.8
147.08026	14.3
147.11766	2.1
149.06006	3.5
149.09589	7.9
151.07495	2.4
151.11276	2.8
153.09076	3.8
155.07063	3.5
159.07973	3.9
161.09634	16.7
165.09105	13.7
169.04932	6.7
171.08038	3.5
171.11671	2.4
177.09109	8.2
179.10692	10.3
179.46394	2.1
181.04855	3.1
181.08694	2.4
189.09142	14.3
195.10257	4.4
197.12952	12.2
207.10216	19.4
215.13884	4.0
225.07614	2.0
225.11137	26.8
232.07457	2.7
243.06660	3.2
243.09846	4.8
243.12172	34.8
243.21066	6.7
261.10184	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	243.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56509	1.9
53.03939	7.9
55.01862	6.6
55.05514	11.1
56.96581	2.4
57.03435	13.2
57.07063	2.1
61.02918	5.2
65.03943	1.9
67.05494	8.5
69.03427	27.8
69.07062	11.1
69.85886	4.6
69.86297	7.9
70.06567	4.2
71.01350	3.2
71.04979	7.4
73.02924	3.3
75.75484	1.9
79.05493	22.1
80.15828	1.9
81.03420	17.3
81.07058	100.0
83.04981	22.4
83.08604	5.0
84.04487	8.6
84.08138	2.9
85.02902	19.8
86.09687	5.4
87.04454	3.3
91.05492	14.4
93.07062	20.5
95.04962	12.6
95.08604	13.1
97.02927	10.0
97.06519	7.8
98.97549	3.7
99.04436	5.7
99.08079	7.7
105.07027	13.7
107.04946	4.0
107.08577	7.2
109.02840	3.8
109.06513	11.7
109.10162	2.4
111.04424	6.0
111.08063	6.9
115.03957	3.8
116.98617	2.4
117.07011	3.7
119.08580	10.6
121.06521	5.9
121.10079	2.5
123.04436	2.3
123.08102	12.3
125.05969	4.6
125.09612	2.1
127.03915	13.7
129.05457	5.1
129.06462	3.0
130.04977	8.5
130.06493	2.9
131.08559	4.6
133.10114	8.4
135.08054	4.4
137.05945	4.1
137.09612	4.6
139.07510	2.8
143.08565	4.5
145.04971	3.3
145.10120	4.0
147.07962	6.8
147.11607	1.9
149.09586	2.8
151.07523	3.0
153.09068	2.5
155.07101	4.0
161.09651	6.9
163.56516	1.8
165.05434	2.3
165.09158	9.7
173.13181	3.4
177.00653	2.3
177.09114	4.5
179.10649	4.2
181.47342	2.0
187.14827	2.3
189.09079	5.5
198.14867	4.0
207.10118	9.5
215.13957	2.1
225.07654	2.0
225.11205	13.1
226.14380	7.5
243.12222	20.5
243.20963	7.0
260.25803	2.1
261.10110	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0863
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03949	3.4
55.01891	1.7
55.05502	4.1
56.96556	3.9
57.03450	1.9
57.07073	1.7
60.88636	1.7
61.02928	11.8
65.03933	7.8
67.05513	9.3
69.03420	4.8
69.07070	3.4
70.06590	5.5
71.04989	4.6
71.58926	3.1
72.08160	3.2
79.05502	9.6
79.84067	1.5
81.03435	2.9
81.07040	8.2
83.04976	4.3
83.08616	1.6
84.04507	5.4
84.08144	3.9
85.02895	5.9
85.06547	2.6
86.09689	7.1
87.56258	1.4
91.05479	23.5
93.07034	6.6
94.04176	2.3
95.01313	1.9
95.04970	18.5
95.08616	4.6
97.02889	3.2
97.06535	2.4
97.39675	1.8
98.97608	2.4
102.05541	1.6
105.03402	3.6
105.04535	1.5
105.07027	6.3
107.04939	8.7
107.08602	4.7
109.00889	1.6
109.06514	15.7
109.10145	4.2
110.03649	3.1
110.07176	1.9
111.04453	3.9
116.98637	2.4
118.08659	4.4
119.04982	7.2
119.08589	8.9
121.02852	1.6
121.06488	4.5
121.10136	2.6
122.03683	2.3
123.04431	17.6
123.08118	2.4
123.11691	1.6
125.02375	5.4
125.06049	3.1
125.06910	1.5
127.03919	2.9
129.06996	2.2
129.10233	2.4
131.08563	3.2
132.10242	2.9
133.02853	11.8
133.10129	5.5
135.04428	6.3
135.08038	1.8
135.11720	2.6
137.05983	24.2
137.09637	1.7
138.03119	2.5
140.04686	100.0
142.02678	2.0
145.06482	3.0
145.10136	5.6
147.04427	8.8
147.08054	4.3
147.11674	1.8
150.96941	1.8
152.04742	1.6
153.05518	2.3
155.07036	92.0
159.08040	1.8
159.11728	4.6
161.09639	3.9
163.03853	7.1
165.05504	20.0
165.09094	6.8
167.07039	2.8
169.05031	1.9
169.06433	2.2
171.06517	6.7
173.06049	2.0
173.06631	1.9
173.08060	11.1
173.09464	1.8
173.13292	4.7
179.07028	13.5
180.04189	18.5
181.04967	81.7
183.06508	5.9
184.03714	2.2
184.05255	2.9
187.14815	4.5
189.09102	2.1
192.04213	1.9
193.04973	25.9
195.06541	13.8
197.06241	11.0
197.08099	10.6
197.13145	2.4
201.00784	1.8
207.06548	28.6
207.10146	9.3
215.14082	1.9
225.07567	25.4
225.09351	1.9
225.11272	6.0
243.06465	7.7
243.08691	21.0
243.11909	4.0
243.14012	3.3
243.17476	4.1
243.21094	13.1
246.33701	1.9
261.10153	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.7
69.59714	0.4
69.60141	0.6
71.95259	0.1
79.65269	0.1
82.99890	0.2
88.22619	0.1
95.65759	0.1
98.20835	0.3
98.97580	1.4
99.64004	0.1
101.00867	1.5
116.98630	1.9
119.01921	11.6
120.02032	0.3
133.16655	0.1
134.99689	1.9
137.02957	4.3
140.98817	0.3
142.03479	0.8
143.21405	0.1
153.00912	0.7
156.97496	0.2
157.03238	0.1
158.99889	0.6
160.04572	0.5
161.03079	0.2
165.99646	0.3
177.00955	22.2
178.01070	1.2
178.49503	0.3
179.01366	0.3
180.99797	0.2
182.99876	0.7
184.98753	0.2
189.00722	0.1
190.00392	0.4
191.00244	0.2
193.04065	0.3
195.01953	0.6
195.98058	0.2
196.94456	0.2
197.02652	0.1
197.47023	0.1
197.99106	0.2
199.02757	0.2
200.02573	0.3
201.00909	1.1
201.02449	0.3
205.45779	0.2
208.97693	0.2
214.46295	0.2
214.95570	2.9
215.01839	0.2
215.03891	0.2
215.95692	0.2
216.49326	0.1
216.96707	0.2
217.04092	3.0
218.03806	0.2
219.02003	25.5
220.02133	2.8
221.01929	0.3
225.00833	1.8
229.48929	0.2
232.96632	3.2
233.96556	0.2
237.02838	0.1
237.97174	1.7
238.05539	0.2
240.49416	0.1
242.03557	0.4
243.01927	6.0
243.10352	0.1
244.02049	0.1
255.98260	0.9
256.96481	0.3
261.03058	100.0
262.03207	2.6
263.03436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05255	0.6
55.05508	6.7
56.05033	0.4
56.96544	0.5
57.03438	0.4
57.07065	0.8
58.06597	7.7
59.04994	0.8
59.84717	0.4
67.05501	10.2
67.70573	0.4
68.05843	0.4
69.03419	0.6
69.07066	7.0
70.06583	1.3
70.19867	1.9
71.04975	1.0
71.08605	0.5
72.08131	0.9
75.96907	0.4
79.05470	1.7
80.05800	0.6
81.07049	10.0
82.07353	0.4
83.08616	3.0
84.08147	0.6
85.02886	0.5
85.06519	1.7
86.06878	0.9
86.09691	0.6
91.05471	1.3
93.07029	3.0
94.07377	0.5
95.04957	0.6
95.08602	10.7
97.02903	0.6
97.06506	0.9
97.10149	1.4
98.06036	0.8
98.09686	5.3
98.20748	0.5
98.97579	0.7
105.07037	0.8
107.08593	2.2
109.06494	0.6
109.10143	4.7
112.04739	0.4
116.98623	1.0
119.01909	0.9
119.08554	0.9
121.10161	0.4
121.26141	0.4
122.10415	0.6
123.11681	1.1
131.08510	1.0
132.08864	1.1
132.95869	0.6
134.99619	0.7
135.11713	0.6
137.13255	0.5
145.10100	0.5
146.10455	1.5
150.09943	1.1
151.14769	0.5
154.15868	0.9
155.08481	0.4
161.02968	0.8
164.11517	0.7
164.15187	0.4
177.00714	0.5
182.15419	0.6
185.09698	0.4
197.13142	0.5
203.03925	0.7
210.06609	0.4
219.01645	0.5
221.08340	0.4
224.13594	1.3
224.23726	12.8
225.09222	0.6
240.88754	0.4
242.04337	0.5
242.17570	1.4
242.24773	100.0
243.06473	0.6
243.10216	2.6
243.13861	0.8
243.21046	0.8
243.25053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
56.47115	1.0
56.47396	1.1
57.03443	11.6
58.06596	3.8
59.06919	1.3
61.02924	2.4
69.03433	1.3
70.82461	1.6
71.01358	5.3
71.04981	2.0
72.08138	1.3
73.02922	5.4
80.05024	10.2
80.54305	1.1
82.33739	1.1
85.02905	4.6
87.04478	6.9
89.02390	5.0
100.50273	1.1
101.02378	14.6
103.03940	1.2
111.00755	1.2
115.03935	27.4
118.08684	1.2
119.01889	1.5
127.03834	1.7
129.01852	20.9
131.03378	1.5
133.04958	3.3
141.01804	1.2
143.03412	12.6
143.52992	1.1
157.01340	28.5
159.02887	2.0
161.03075	1.7
161.04469	17.4
166.10612	1.1
169.48776	1.1
171.02907	3.6
175.02428	2.3
187.60530	1.1
189.03955	100.0
195.36211	1.0
196.01125	1.1
197.09901	1.3
207.04997	8.0
217.03680	1.1
224.07639	2.6
242.10767	1.3
242.15813	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	58.5
57.03423	15.2
57.07080	39.6
59.40480	4.0
61.02908	8.9
65.03959	6.3
67.05509	35.4
69.03426	26.8
70.06601	10.0
70.63045	16.6
71.04979	7.8
72.08132	8.4
73.02909	22.2
74.97620	5.0
79.05438	8.1
80.05015	8.5
81.03421	8.5
81.07059	9.3
83.04950	8.8
83.06098	14.2
84.08144	6.6
84.96052	7.1
85.02912	31.2
85.06519	14.3
86.06108	5.2
86.09718	8.6
87.04469	8.4
91.05476	5.2
95.04975	5.7
97.02896	27.9
98.06071	7.8
98.97588	94.3
99.04423	5.7
107.04919	5.9
109.02920	4.9
110.97569	13.7
112.05128	5.0
112.07609	12.6
116.98621	85.9
119.01845	15.1
127.03896	15.2
128.02353	9.2
128.98645	22.1
129.10214	9.7
130.08638	9.2
134.99667	42.7
143.00140	6.5
145.04875	4.9
146.99658	22.0
152.04123	17.0
153.00697	11.5
155.02843	6.5
155.04697	8.1
155.99527	4.3
158.01271	9.2
158.99690	41.7
159.03264	13.2
161.01224	15.2
161.03276	5.3
161.04671	100.0
161.05888	4.3
161.54852	14.4
164.05266	5.2
165.00673	5.2
169.95276	5.5
170.05188	13.5
170.99664	6.5
172.55409	17.6
173.05806	6.9
174.04388	13.2
177.00729	60.9
177.04228	10.7
185.01292	4.7
186.04256	7.3
189.00700	18.2
191.03731	7.3
196.09711	13.4
197.05835	7.1
200.02237	12.5
200.04422	8.7
201.00732	15.9
204.05467	11.3
207.01726	5.7
212.06203	6.6
219.01764	49.1
224.09079	7.0
228.31715	5.0
231.01865	7.2
233.06827	13.0
237.02875	41.9
242.07341	33.1
242.10217	25.2
242.15836	22.9
249.02943	5.6
255.03816	11.1
261.02811	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	241.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.2
57.07082	2.6
63.78133	0.3
67.05502	0.7
69.06785	0.4
69.07076	4.4
70.24297	1.9
71.08640	0.7
79.05486	0.5
81.07072	1.1
83.08611	2.3
86.03741	0.4
91.05481	0.9
93.03709	0.7
93.07059	1.1
95.08591	1.6
97.10152	1.4
105.07030	1.7
106.52370	0.4
107.08597	0.8
117.07054	0.4
119.08598	3.7
119.42881	0.4
121.10141	1.1
128.06224	1.0
129.07007	2.3
131.08545	1.1
133.10126	1.4
133.96233	0.5
135.11703	0.7
141.06943	0.8
142.07764	4.5
143.08562	12.4
145.10118	2.3
155.08545	1.6
156.09344	7.0
157.10132	21.7
158.10577	0.4
159.11688	2.8
169.10146	1.0
170.10928	5.5
171.11694	27.3
172.12268	0.7
173.13272	1.1
181.10139	0.5
182.10829	0.5
183.11696	2.1
184.12413	1.2
185.13264	30.0
186.13875	0.5
195.11717	0.5
196.12389	0.4
197.13274	3.7
199.14832	18.3
200.15015	0.5
211.14827	1.6
212.15565	1.2
213.16368	2.1
223.11374	0.6
226.17151	0.7
241.16054	4.7
241.19516	100.0
242.19855	1.8
255.80193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2162
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
55.05510	13.2
56.96570	7.4
57.03430	4.0
57.07060	5.9
58.02923	1.4
67.05502	20.3
69.07069	23.2
71.04996	6.7
71.08620	1.6
71.58359	1.7
74.28176	1.4
79.05495	5.9
81.03417	2.2
81.07058	34.1
83.04976	4.0
83.08627	11.5
85.06544	100.0
91.05495	3.8
93.03743	6.8
93.07056	11.1
95.04987	1.4
95.08611	45.9
97.06551	3.5
97.10159	9.0
98.97598	1.9
99.04480	1.6
99.08096	17.7
105.07034	3.9
107.08589	13.4
109.10164	34.5
109.10915	2.3
111.11719	2.7
113.09640	3.6
116.98631	3.7
119.08575	4.6
121.06499	1.2
121.10149	13.6
123.08015	2.3
123.11707	34.9
125.09621	1.9
127.11204	2.7
128.06209	1.3
129.06929	1.4
131.08560	2.0
133.10167	1.9
134.99677	3.7
135.11681	8.4
137.13287	2.9
139.11154	2.6
141.12776	1.9
142.07799	1.6
143.08559	7.1
145.10127	3.4
147.11755	1.7
149.13263	11.0
153.00713	1.3
156.09337	5.4
157.10144	15.6
159.11656	2.5
161.09644	1.6
161.13226	1.6
163.14859	2.5
166.42760	1.3
167.14368	1.4
169.10191	1.7
170.10924	2.9
171.11697	18.0
173.13268	2.7
179.17865	1.6
183.11723	1.8
184.12407	2.5
185.09570	1.8
185.13245	17.1
195.11699	2.9
197.13329	1.9
199.14830	11.7
205.19519	11.7
209.05956	3.9
213.16420	2.2
223.17041	2.1
223.20572	9.0
241.08649	3.1
241.12260	3.0
241.16083	6.3
241.19519	57.6
241.21689	20.2
242.19890	1.5
242.28445	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.3
55.05384	1.9
55.05686	1.0
55.62041	0.2
56.66327	0.2
56.96434	1.4
56.96751	0.8
57.06948	0.8
57.07258	0.5
67.05378	0.7
69.03327	0.2
69.06931	3.1
69.07348	0.7
71.59431	0.4
79.05383	0.6
81.06914	0.8
82.29131	0.2
83.04873	0.3
83.08476	1.6
85.06419	0.3
85.39867	0.2
89.44093	0.2
91.05345	0.8
91.05845	0.2
93.03648	0.3
93.06942	0.4
95.04887	0.3
95.08463	1.3
97.10041	1.0
97.10590	0.2
105.06899	1.3
107.08461	1.0
109.10017	0.7
115.05386	0.2
116.00166	0.3
117.06949	0.4
119.08572	2.9
121.10040	0.7
128.06123	0.9
129.07005	2.2
131.08542	1.2
133.10120	2.1
135.11604	0.4
141.06911	0.8
142.07768	3.4
143.08557	10.3
144.09233	0.5
145.10130	2.7
147.11574	0.7
155.08537	1.5
156.06081	0.3
156.09338	6.5
157.10117	19.9
158.10683	0.4
159.11674	3.3
161.13234	0.3
169.10129	1.9
170.10901	6.7
171.11676	23.4
172.12180	0.7
173.13257	1.5
175.02779	0.3
181.10117	0.5
182.10899	0.7
183.11633	2.7
184.12483	1.7
185.09856	1.2
185.13245	35.1
186.13736	1.0
193.10184	0.5
195.11684	0.5
197.10031	0.9
197.13239	5.0
197.60321	0.4
198.14000	1.7
199.11142	0.8
199.14812	22.5
199.60471	0.4
200.15227	0.3
206.10722	0.6
208.12518	0.4
208.60924	0.5
209.11160	0.3
211.11169	0.4
211.14815	1.3
212.12059	0.5
212.15576	1.6
213.16382	1.6
217.61569	0.5
223.14871	1.0
226.13623	0.3
226.17096	1.4
241.15944	13.5
241.19489	100.0
242.16373	0.5
242.19832	1.5
256.19403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49618	0.2
54.04714	0.2
55.05265	0.3
55.05511	3.5
57.07079	2.4
65.03945	0.3
67.05497	0.6
69.07067	4.2
69.46751	1.7
69.47166	0.5
71.08617	0.6
79.05492	0.5
81.07033	0.6
83.08624	2.3
87.42625	0.3
91.05479	0.6
93.03687	0.3
93.07043	0.6
95.08612	1.6
97.06541	0.3
97.10160	1.4
105.06995	1.2
107.08602	0.4
109.10136	0.6
119.08591	4.8
121.10122	0.4
128.06201	1.3
129.07005	1.9
131.08505	0.8
133.10114	1.1
135.25566	0.2
141.06979	1.0
142.07753	3.2
143.08562	10.0
143.09697	0.5
144.09303	0.3
145.10110	2.0
147.11751	0.4
155.08521	1.2
156.09340	6.9
157.10123	21.4
158.10559	0.4
159.11681	2.0
161.13269	0.3
169.10101	1.2
170.10895	4.6
171.11685	25.5
172.12265	0.4
173.13194	1.3
181.10219	0.3
182.10823	0.4
183.11679	1.6
184.12480	1.2
185.09715	0.7
185.13255	29.5
186.13863	0.7
186.56471	0.3
187.14771	0.4
195.11630	0.4
197.13203	3.1
198.14032	0.9
199.14816	16.5
211.14807	1.6
212.15540	1.1
213.16400	1.8
223.14743	0.5
226.17206	0.8
241.16063	2.9
241.19499	100.0
242.19884	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.5
55.05303	0.4
55.05512	5.2
56.96547	1.9
57.03426	0.5
57.07074	2.3
67.05488	2.0
69.03424	0.7
69.07068	5.9
69.27129	0.4
71.08632	1.0
71.59113	0.4
76.70667	0.5
77.34820	0.4
79.05476	1.4
81.07050	2.9
83.05007	2.8
83.08617	3.5
88.42742	0.5
91.05473	1.4
93.03716	1.4
93.07050	2.3
95.08607	3.0
97.02884	0.5
97.10162	1.8
105.07018	2.5
107.08580	1.7
109.10139	1.0
115.05408	0.6
117.07064	0.9
119.08599	4.7
121.10146	1.6
128.06183	1.2
129.06990	2.1
131.08565	1.9
133.10123	1.9
134.99677	0.8
141.07004	1.1
142.07761	4.1
143.08571	10.3
145.10159	3.2
147.11748	0.7
149.13260	0.7
155.08568	1.8
156.09358	6.7
157.10130	24.9
159.11665	2.8
167.08467	0.5
169.10159	1.6
170.10944	4.1
171.11697	27.4
172.12213	0.8
173.13255	1.7
181.10165	0.8
183.11723	2.0
184.12494	0.7
185.09679	1.4
185.13258	27.9
186.13916	0.5
197.13290	3.3
198.14011	1.4
199.11093	0.7
199.14838	17.0
205.12199	0.7
211.14780	1.0
212.15529	0.9
213.16444	2.0
223.14835	0.8
226.17125	0.7
241.16035	7.1
241.19519	100.0
242.19853	1.4
263.42755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.6
56.96562	4.1
57.02553	0.4
57.07071	3.2
67.05483	1.1
68.70006	0.3
69.07059	5.1
70.13519	1.9
71.08623	0.6
75.02695	0.5
79.05481	1.1
81.07040	1.5
83.04971	0.5
83.08623	2.2
91.05456	1.3
93.03708	0.9
93.07033	1.3
95.04913	0.5
95.08606	2.4
97.10127	1.1
105.07050	2.5
107.08598	1.4
109.10162	1.0
116.98572	0.7
117.06983	0.5
119.08578	5.4
121.10116	1.1
123.11734	0.4
128.06207	1.5
129.06984	2.6
131.08546	1.3
133.10110	1.9
134.99606	0.5
135.11671	0.8
141.06992	1.2
142.07777	3.5
143.08559	10.3
144.09326	0.7
145.10117	3.0
147.11754	0.5
155.08553	1.7
156.09334	7.6
157.10121	23.5
159.11740	2.7
167.08475	0.6
169.10129	1.3
170.10913	5.9
171.11684	28.2
172.12193	0.7
173.13297	1.9
175.02797	0.6
181.10155	0.5
183.11713	2.4
184.12444	1.7
185.13249	31.9
186.13756	0.7
188.09558	0.5
195.11679	0.5
197.10182	0.9
197.13257	2.7
198.06721	0.4
198.14009	0.9
199.14816	18.6
199.60411	0.5
206.85809	0.4
208.60907	0.8
211.14838	0.9
212.15588	1.5
213.16364	2.5
217.61435	1.3
220.11736	0.6
223.14729	0.8
226.17081	0.8
229.55713	0.4
241.16074	3.0
241.19502	100.0
242.19774	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04649	0.6
55.05525	3.4
56.61207	0.5
57.07071	2.9
58.12118	0.6
67.05487	0.9
68.33754	0.5
69.07069	5.1
71.08617	0.5
71.57658	0.7
71.58037	0.5
79.05481	1.0
81.07046	2.0
83.04984	0.6
83.08614	1.6
84.41900	0.5
90.44698	0.5
91.05482	0.9
93.07059	1.6
94.47911	0.5
95.08591	2.0
97.10146	0.9
105.07041	2.3
107.08591	1.8
109.10169	1.2
110.98609	0.5
112.27625	0.6
115.05443	0.5
117.07019	0.8
119.08565	3.5
121.10123	1.4
128.06215	1.7
129.07004	4.5
131.08606	1.4
133.10136	2.2
141.07028	3.1
142.07779	3.6
143.08560	12.6
145.10112	5.5
147.11717	1.3
155.08546	3.5
156.09340	8.9
157.10133	24.2
159.11685	3.7
165.06944	0.6
167.08618	1.6
169.10118	2.4
169.11394	0.6
170.10933	7.3
171.08101	1.1
171.11696	24.6
172.12323	0.5
173.13313	1.5
179.08629	0.7
181.10147	1.8
182.10925	1.4
183.11696	3.8
184.12410	1.7
185.09758	2.9
185.13269	34.9
186.10513	0.6
186.13618	0.7
195.11693	1.5
196.12358	0.5
197.13277	6.7
198.10385	0.5
198.13953	2.3
199.11145	2.5
199.14830	27.4
208.12369	0.6
211.14726	1.0
212.11975	0.9
212.15572	2.2
213.16389	4.4
223.11121	0.8
223.14841	3.4
226.13577	1.0
226.17009	1.5
241.15855	30.3
241.19528	100.0
242.16228	1.0
242.19858	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60062	0.8
55.05506	3.7
57.07072	2.0
67.05499	1.7
67.05843	0.8
69.07069	6.4
71.08628	1.2
71.61286	1.3
79.45082	0.8
81.07040	2.2
83.08607	3.0
86.11092	0.9
91.05474	0.8
93.03700	1.5
93.07040	1.5
95.08620	1.8
97.06541	0.9
97.10165	1.0
105.07021	1.5
107.08572	1.5
109.10101	1.0
119.08553	5.5
121.10145	0.9
128.06224	1.6
129.07002	2.4
131.08543	1.4
133.10117	1.5
141.06963	1.4
142.07762	4.0
143.08569	10.2
145.10091	1.9
155.08563	2.0
156.09352	7.3
157.10123	21.4
159.11708	2.9
165.06915	0.7
169.10179	0.9
170.10907	5.7
171.11685	23.4
173.13219	2.1
181.10112	0.9
183.11665	2.6
185.11601	1.5
185.13258	27.5
186.13916	0.8
196.12570	0.7
197.13292	2.7
198.14023	1.3
199.14827	17.1
211.14859	1.1
212.15611	1.6
213.16402	2.0
241.16084	4.9
241.19513	100.0
242.19809	1.6
242.24725	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	241.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41725	0.3
55.05293	0.3
55.05507	3.1
56.96566	0.7
57.07069	2.2
67.05481	0.5
69.06726	0.3
69.07063	4.6
71.08632	0.7
71.59683	0.6
79.05487	0.6
81.07058	0.7
82.07024	0.3
83.08624	2.1
91.05480	0.9
93.03709	0.3
93.07024	0.7
94.58727	0.3
95.08588	1.3
97.10156	1.1
105.07011	1.0
107.08602	0.7
109.10162	0.4
115.28778	0.3
119.08570	4.5
121.10127	0.5
128.06206	1.0
129.06999	2.0
131.08571	0.9
132.99553	0.5
133.10126	1.3
133.30617	0.3
141.06963	1.4
142.07777	3.6
143.08554	11.2
145.10130	2.3
155.08525	1.4
156.09335	7.3
157.10118	21.2
159.11674	2.3
168.09311	0.3
169.10120	1.1
170.10905	5.1
171.11682	27.3
172.12402	0.6
173.13246	1.7
180.09279	0.4
181.10075	0.4
182.10709	0.4
183.11688	2.0
184.12379	1.0
185.13257	30.7
186.13763	0.6
195.11649	0.9
197.13242	3.0
198.13982	1.2
199.14818	19.1
211.14836	1.6
212.15511	0.8
213.16367	1.6
223.11195	0.5
223.14931	0.3
226.17064	0.8
241.12280	1.3
241.16069	2.6
241.19495	100.0
242.19887	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21133	0.4
55.05514	3.3
56.96570	4.5
57.07066	1.9
59.04991	0.5
67.05494	1.5
69.07059	4.0
71.59244	0.5
79.05490	1.0
81.07043	1.6
83.04977	0.6
83.08609	1.6
87.20551	0.4
91.05472	1.2
93.03712	1.8
93.07034	1.5
95.08619	2.2
97.06544	0.6
97.10162	1.2
105.07017	1.8
107.08600	0.9
109.10140	1.7
116.00242	0.6
116.05260	0.5
119.08598	2.7
120.57378	0.4
121.10136	1.3
128.06223	0.8
128.25327	0.5
129.06999	1.8
131.08548	1.2
133.10133	1.6
135.11650	0.9
141.06966	1.1
142.07788	2.8
143.07504	0.5
143.08571	7.6
145.10110	2.6
147.11668	1.0
153.06993	0.6
155.08574	1.5
156.09369	5.6
157.10133	16.8
158.10934	0.4
159.11697	3.5
161.13260	0.5
164.26639	0.5
167.08533	0.6
169.10126	1.4
170.10939	5.3
171.11703	23.1
172.12181	0.5
173.13255	1.4
181.10149	0.8
182.10939	0.7
183.11662	2.9
184.12508	1.2
185.13278	33.9
186.13786	1.0
188.09645	0.9
195.11798	0.5
197.10123	1.1
197.13293	3.7
198.13986	1.1
199.14842	20.3
208.60957	1.3
211.14842	1.7
212.15565	1.8
213.12746	0.6
213.16437	2.4
217.61528	0.8
220.61795	0.4
223.15083	0.5
226.17229	1.3
229.12221	1.0
239.96129	0.5
241.16013	10.0
241.19528	100.0
242.16118	0.7
242.19821	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.7
57.07075	2.6
60.55745	0.4
67.05494	1.6
69.03424	0.6
69.07072	4.8
69.50134	0.5
71.08642	0.6
71.60877	1.0
79.05471	1.1
81.07038	1.5
83.08628	2.4
91.05494	1.4
93.03738	0.9
93.07040	2.0
94.33227	0.5
95.04948	0.5
95.07627	0.5
95.08611	2.5
97.10136	0.7
105.07009	2.7
107.08573	1.5
109.10130	1.5
115.05463	0.6
117.07018	1.3
119.08579	3.6
121.10130	1.4
123.11771	0.6
128.06212	1.6
129.07025	2.5
131.08556	2.1
132.99571	0.9
133.10165	2.5
141.06973	1.8
142.07774	4.8
143.08591	10.1
145.10114	5.4
147.11719	1.0
155.08536	2.4
156.09349	7.4
157.10149	21.8
159.11694	5.1
165.07074	0.6
167.08585	0.7
169.10155	2.5
170.10912	5.2
171.11723	29.0
173.13226	2.0
181.10100	1.5
182.10963	0.7
183.11757	2.4
184.12453	2.3
185.09644	2.0
185.13274	30.3
186.13908	1.0
195.11732	1.7
197.13284	5.2
198.14003	1.5
199.14839	17.9
209.21806	0.5
211.14795	1.4
212.15608	2.1
213.16449	3.9
223.11136	0.9
223.14845	2.3
226.17154	1.2
239.17987	0.6
241.15981	12.1
241.19522	100.0
242.16287	0.7
242.19867	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74167	0.2
53.87500	0.3
55.05260	0.3
55.05513	3.4
56.96560	3.3
57.07076	1.8
57.90321	0.3
58.18346	0.2
67.05497	1.4
69.07069	3.7
69.55677	1.8
71.04993	1.8
71.08633	0.4
72.40070	0.3
79.05490	1.0
81.07053	2.1
83.04973	1.1
83.08613	2.0
85.06538	0.3
91.05474	0.9
93.03711	0.5
93.07048	1.2
95.08614	2.4
97.10158	1.1
97.99160	0.6
98.97586	0.4
100.80629	0.3
105.07035	1.3
107.08601	1.6
109.10126	0.8
115.42435	0.3
116.00217	0.8
116.05373	0.3
117.07008	0.6
119.08590	3.7
121.10154	1.3
123.11694	0.4
128.06206	0.8
129.06970	2.0
131.08603	1.3
131.09505	0.4
133.10136	1.6
134.99657	0.4
135.11673	0.9
141.06941	0.8
142.07788	3.3
143.08569	7.8
144.09396	0.3
145.10107	2.3
147.11722	0.6
149.13235	0.3
155.08562	1.2
156.09349	6.0
157.10135	16.6
158.10629	0.5
159.11711	3.1
169.10156	1.4
170.10921	5.3
171.11693	23.7
172.12361	0.5
173.13210	1.5
180.09348	0.3
181.08643	0.3
181.10075	0.4
182.10966	0.3
183.11652	1.6
184.12413	0.9
185.09718	0.8
185.13258	24.8
186.13748	0.9
187.14880	0.5
191.39145	0.3
195.11676	0.7
197.13228	3.7
198.14027	1.1
199.11159	0.6
199.14819	14.6
208.60909	0.5
211.14807	1.2
212.15578	2.1
213.16402	1.7
223.11156	0.7
223.14857	0.4
226.17154	1.2
239.17973	0.4
241.16077	3.6
241.19510	100.0
242.19916	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.6
56.96564	6.0
57.07055	1.6
67.05486	1.2
69.07061	4.0
69.80832	0.3
71.08643	0.5
71.40366	0.7
79.05488	0.7
81.07047	1.1
83.04978	0.8
83.08616	2.1
91.05466	1.6
93.03697	0.8
93.07035	1.6
95.08612	2.8
97.10163	1.1
97.99168	1.0
98.97566	0.4
105.07015	1.6
107.08573	1.4
109.10146	0.9
116.00182	0.7
119.08585	3.9
121.10143	1.0
128.06212	1.1
129.07008	1.5
131.08524	0.9
133.10107	1.8
134.99612	0.6
135.11679	0.4
137.09566	0.4
142.07791	2.9
143.08568	9.2
143.09677	0.7
145.10103	2.5
147.11684	0.8
154.35960	0.4
155.08566	1.0
156.09346	6.5
157.10133	18.7
158.10556	0.5
159.11694	2.6
161.13260	0.5
169.10118	1.2
170.10913	5.3
171.11694	23.4
172.12384	0.6
173.13278	1.4
181.10249	0.5
182.10846	0.5
183.11710	1.6
184.12411	1.2
185.09679	0.9
185.13261	29.5
186.13794	1.1
197.10133	0.7
197.13243	2.8
198.13983	0.7
199.14821	17.4
199.60391	0.5
200.15318	0.4
206.10568	0.6
208.61009	1.2
211.14825	0.9
212.15569	2.0
213.16400	1.6
217.61435	1.3
220.11884	0.5
223.11284	0.4
223.14697	0.5
226.17152	1.1
241.16095	3.6
241.19510	100.0
242.19818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.05494	0.3
56.96567	0.9
57.03420	0.5
58.06600	14.3
61.02924	0.3
63.94666	0.2
69.03428	0.9
70.06587	1.9
70.34567	0.6
71.04976	0.5
72.08153	0.5
73.02895	0.2
78.53564	0.2
81.03410	0.4
83.04948	0.3
84.08144	7.1
85.02890	0.7
85.06550	0.3
87.04453	0.5
91.05469	0.2
93.03742	0.2
97.02888	1.0
98.06043	0.3
98.09689	1.0
98.97587	2.6
99.97863	0.2
100.11262	0.3
110.97562	0.4
113.80591	0.2
114.05501	0.2
116.07080	0.3
116.98621	1.9
119.01884	0.3
126.05499	0.3
127.03858	0.2
128.02271	0.2
128.10709	3.6
128.98615	0.3
133.01668	0.2
134.99635	0.8
144.10193	1.1
145.01627	0.3
146.99536	0.3
147.04430	0.4
152.07048	0.2
158.99702	0.4
168.10201	1.0
175.02696	0.2
177.00690	0.8
184.04951	0.5
184.55118	0.2
190.01292	0.3
193.05420	0.5
195.01756	0.4
196.09691	4.7
213.15991	0.3
219.01732	0.5
237.02869	0.7
241.06615	1.8
241.15466	100.0
242.15753	0.9
257.02866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.01881	0.4
55.05510	0.5
56.96575	0.5
57.03435	0.9
57.07085	0.4
58.06604	15.6
61.02917	1.0
69.03418	0.7
69.07063	0.6
70.06240	0.3
70.06599	3.7
70.93683	0.3
70.94021	0.4
71.04983	0.8
71.81935	0.2
72.08149	0.5
73.02917	0.4
74.51965	0.2
81.03410	0.8
81.07035	0.4
83.08604	0.4
84.04506	0.4
84.08148	8.9
85.02910	1.3
85.06543	0.3
85.55721	0.3
86.74269	0.2
93.03754	1.1
93.07067	0.3
97.02894	0.7
98.09698	1.3
98.97540	0.3
99.04464	0.4
101.02357	0.4
114.05537	0.3
115.03932	1.0
116.07087	1.6
118.08694	0.5
119.01936	1.5
126.05460	0.3
126.09171	0.3
127.03947	0.3
128.10736	3.3
129.01822	0.6
131.01904	0.5
131.08498	0.3
133.03479	0.3
134.99695	0.4
137.02960	0.5
143.03424	0.2
144.10222	1.2
145.03474	0.4
149.03043	0.2
156.97481	0.3
157.01305	0.6
158.08275	0.2
160.04510	0.3
161.02953	0.5
161.04436	0.5
168.10216	0.7
173.02907	0.3
174.98555	0.6
185.02914	0.4
189.02428	0.3
189.03958	2.5
196.09711	4.8
198.98409	0.4
199.04588	0.2
213.15967	0.3
214.05463	0.2
215.04015	0.3
216.99496	0.5
218.08784	0.3
241.15485	100.0
242.15695	1.1
245.05081	0.5
258.00015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08918	0.6
52.75092	0.6
53.03946	1.7
55.01868	3.4
55.05509	9.4
56.96563	1.9
57.03430	3.6
57.07069	2.7
60.95842	1.0
66.01319	0.7
67.05509	11.6
68.72266	0.8
69.03418	2.0
69.07066	8.8
69.51470	7.0
71.04982	2.7
73.02911	1.3
79.05492	16.2
81.03413	3.0
81.06579	1.2
81.07055	16.8
83.04968	3.4
83.08629	8.2
91.05503	5.6
92.72065	0.7
93.03702	2.1
93.07046	26.6
95.04955	4.0
95.08607	27.2
97.02897	3.2
97.06503	2.3
97.10164	1.9
98.97593	1.3
99.04459	2.6
105.07027	5.3
107.04962	5.9
107.08596	18.0
109.06526	1.9
109.10160	3.0
111.04426	0.9
111.08054	0.9
113.06045	1.1
116.98601	1.7
117.07001	6.4
119.08582	7.9
121.06515	3.7
121.10152	11.9
125.05992	2.7
129.06992	1.8
131.08560	1.9
131.39671	0.7
133.10144	2.4
134.99680	1.9
135.08102	1.5
135.11696	31.0
139.07573	1.2
139.11192	1.3
142.07819	1.3
143.08580	4.4
145.06567	1.0
145.10121	17.9
147.08064	0.9
153.12749	1.0
155.08565	2.0
156.09357	2.5
157.10161	7.8
159.11705	2.2
163.11189	43.6
164.11574	0.8
167.08575	1.2
167.10732	1.1
169.10121	0.9
170.10962	1.5
171.08197	1.1
171.11687	7.5
173.09624	1.7
177.00804	0.8
181.12244	10.3
182.10962	0.8
183.83954	0.8
185.09625	1.2
185.13258	9.7
191.10745	1.3
195.11832	0.9
197.13261	1.7
199.11224	1.0
199.14816	5.1
205.15962	0.8
209.11801	1.6
212.15739	0.8
213.16370	2.0
227.12788	100.0
228.13136	1.1
241.08665	2.3
241.12152	1.6
241.16156	6.3
241.19533	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	241.1435
Annotation	Cucumegastigmane I
Peak:m/z	Relative Intensity
51.60971	1.0
51.77225	1.0
53.35516	1.0
54.88909	1.2
55.01883	1.6
55.05511	5.3
57.03430	2.9
57.07084	5.3
67.05508	21.3
69.03427	2.7
69.07066	6.9
71.04998	15.0
71.08585	1.2
71.59061	1.6
79.05060	2.1
79.05496	29.5
81.07064	9.9
83.04978	2.8
83.08600	1.8
85.06545	100.0
91.02042	1.1
91.05488	14.7
93.03703	3.7
93.07046	24.0
95.04965	5.2
95.08591	6.7
96.72511	1.1
97.06532	3.9
97.10172	1.9
98.97588	1.6
99.04458	1.1
99.08081	3.3
103.05499	1.3
105.07040	13.5
107.04970	9.2
107.08598	20.8
109.06498	3.6
109.10146	4.5
111.04446	3.7
113.09547	1.3
116.06194	1.7
117.07031	7.6
119.01951	1.8
119.08571	10.7
121.06512	9.1
121.10146	20.3
123.08042	1.8
123.11694	1.9
129.06993	4.9
130.07765	1.8
131.08566	49.5
133.10103	3.2
135.04350	2.7
135.08040	3.6
135.11684	7.1
137.09608	5.9
139.07527	8.0
142.11038	1.1
143.08528	2.1
145.06477	2.0
145.10129	44.1
146.52466	1.2
147.08046	4.5
147.11726	2.4
149.06067	1.7
149.09619	54.5
155.06982	1.8
155.08516	1.6
157.08582	1.3
157.10094	3.7
159.11708	1.5
161.03008	1.9
163.11183	22.3
163.14851	2.2
165.09120	3.6
167.07034	3.4
167.08527	1.6
167.10696	15.3
169.08618	1.6
171.11723	2.7
173.09622	5.2
181.08553	1.6
185.13162	2.4
187.14793	2.2
191.08907	1.9
191.10674	34.6
199.14761	1.3
205.12241	10.9
205.15950	1.1
209.11768	8.4
213.05331	1.3
213.09222	1.5
223.13301	40.8
223.16891	3.6
241.08620	3.9
241.11980	1.7
241.14301	24.1
241.19592	8.0
259.41364	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06358	1.0
53.03925	1.2
54.56882	1.0
55.01868	2.5
55.05501	4.4
55.38106	1.1
57.03417	2.4
57.07065	4.9
67.05505	19.3
69.03415	3.2
69.07065	7.5
69.66940	5.9
69.67355	2.0
71.04647	1.3
71.04996	15.4
79.05491	30.3
80.82878	1.1
81.03405	2.8
81.07063	9.6
83.04975	4.3
83.08604	1.6
85.06540	100.0
88.15987	1.1
91.05489	16.0
92.05790	1.3
93.03703	4.7
93.07044	25.8
95.04968	4.8
95.08609	7.8
95.58098	1.2
97.02869	1.3
97.06510	5.9
97.10114	1.5
98.97601	2.7
99.08081	2.8
105.07022	16.3
107.04958	11.4
107.08589	26.0
109.06496	3.3
109.10145	5.3
111.04432	4.0
115.05434	1.5
116.98604	2.6
117.07030	7.7
119.01944	1.4
119.08583	10.6
121.06487	9.4
121.10150	19.2
129.07004	5.4
131.08571	47.4
133.10085	2.7
134.99655	1.2
135.04373	1.4
135.08049	2.9
135.11664	8.4
137.05948	1.8
137.09615	6.0
139.07555	8.5
141.06912	1.2
143.08585	2.8
145.06383	1.2
145.10121	45.9
147.08022	3.3
147.11681	2.4
149.09616	53.5
155.06987	1.2
155.08554	2.0
157.10126	3.0
159.11584	1.4
161.02907	2.2
163.07535	1.9
163.11188	25.4
163.14795	2.7
165.09129	3.4
167.07048	3.0
167.10674	17.4
171.11688	2.9
173.09589	7.6
181.08662	1.5
185.13292	3.8
191.10669	32.0
197.12225	1.2
199.14876	2.2
203.03999	1.4
205.12175	9.8
205.15810	1.6
209.11736	12.6
221.08511	2.0
223.11128	2.4
223.13292	41.3
223.16780	2.5
241.08687	2.7
241.11986	2.2
241.14261	27.7
241.19571	13.0
244.73764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Cucumegastigmane I
Peak:m/z	Relative Intensity
55.01863	4.0
55.05511	12.7
56.96550	1.4
57.03432	3.8
57.07068	6.3
64.84441	1.2
65.03939	1.6
67.05502	27.8
68.11272	1.3
69.03412	4.1
69.07066	10.4
71.04987	18.5
71.59387	2.9
73.02953	1.3
75.02680	2.1
79.02975	1.2
79.05491	32.9
80.05056	1.2
81.03399	2.0
81.07057	18.2
83.04996	6.1
83.08627	5.2
85.02937	2.6
85.06542	100.0
86.69966	1.2
91.05480	17.1
93.03732	2.7
93.07041	32.1
95.04994	7.6
95.08602	18.7
97.02888	3.1
97.06518	7.1
97.10143	2.3
98.97556	3.2
99.04453	6.2
99.08077	3.3
100.11259	17.3
105.03387	8.9
105.07043	19.1
107.04939	10.0
107.08594	29.1
107.09296	2.0
109.06512	4.8
109.10162	9.5
111.04453	5.7
111.08049	1.9
111.11799	1.2
113.06017	2.8
115.05432	1.7
116.06206	1.6
116.98606	3.7
117.07022	8.6
119.04902	1.7
119.08595	12.6
121.06516	16.2
121.10147	32.0
123.08126	3.1
123.11691	1.7
125.06013	2.5
125.09620	11.5
127.03893	3.2
128.06262	2.1
129.06992	3.9
130.07799	3.6
131.08565	54.2
133.10168	6.4
134.99678	2.5
135.04344	1.8
135.08040	2.8
135.11705	11.8
137.09642	7.0
139.07513	13.7
139.11182	2.2
142.12271	4.1
143.08551	3.1
145.06490	1.5
145.10123	46.8
147.04430	2.4
147.08067	4.0
147.11722	3.1
149.05977	4.0
149.09616	52.1
151.11234	1.8
157.10088	1.3
158.01233	1.6
158.99620	1.6
159.14911	11.6
161.02948	2.6
161.13246	1.3
163.07570	3.8
163.11183	24.8
163.14861	2.9
165.09163	2.9
167.07036	10.4
167.08371	2.2
167.10686	16.5
169.06444	1.5
171.04430	1.8
173.09659	5.3
177.00810	1.5
177.16425	8.0
178.88611	1.2
181.06517	1.8
181.08597	2.1
181.12234	3.4
182.15366	1.8
183.10075	2.1
184.05461	2.1
187.14867	6.4
191.10678	31.8
195.08067	2.4
195.17471	2.5
199.18146	1.7
205.12256	17.9
205.15921	4.4
209.11763	8.7
213.08961	2.3
221.07597	4.6
223.13287	45.6
223.16684	10.8
241.04932	2.6
241.08731	11.5
241.11940	2.0
241.12492	1.1
241.14285	28.7
241.19464	11.4
242.11789	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.7
53.03953	1.3
55.01880	3.5
55.05508	6.5
56.96569	2.4
57.03439	2.6
57.07077	6.1
59.34242	0.7
60.79547	0.7
65.03954	1.1
67.05505	19.9
69.03446	3.7
69.07063	5.5
71.04995	17.5
71.58211	1.4
73.02921	1.1
73.70360	0.7
75.02681	1.2
79.05495	29.9
81.03419	2.7
81.07066	6.5
83.04986	4.5
83.08606	2.0
84.13453	0.7
85.02910	2.0
85.06544	100.0
91.05483	15.9
93.03722	2.7
93.07040	21.2
95.04975	6.2
95.08607	3.3
97.02906	2.4
97.06538	3.3
97.10165	3.0
98.97595	2.0
99.04456	2.3
99.08112	1.8
100.11253	2.5
103.05385	0.9
105.07028	15.4
107.04955	11.8
107.08592	23.3
109.02821	0.8
109.06496	4.0
109.10128	1.5
111.04431	5.5
111.08077	1.5
113.06021	1.3
115.05451	0.9
116.98637	1.8
117.07008	8.3
119.08591	12.8
121.02902	1.4
121.06508	9.5
121.10147	21.8
121.11023	1.2
123.04359	0.9
123.08060	1.6
123.11691	1.3
124.04674	0.9
125.05985	1.1
125.09599	1.0
127.03945	1.4
129.06992	5.1
130.07777	1.8
130.68977	0.7
131.08571	53.0
133.06458	1.2
133.10114	3.2
134.99631	1.8
135.04411	2.5
135.08034	2.3
135.11658	5.9
137.09607	5.8
139.07562	6.8
139.11134	0.9
139.45792	0.9
142.07797	0.8
143.08551	2.5
145.06487	1.8
145.10124	50.6
147.04391	1.1
147.08052	5.3
147.11661	1.3
149.05966	2.2
149.09622	52.6
153.05481	1.2
155.07091	1.2
155.08475	0.9
157.10100	1.8
159.11641	1.0
163.07501	2.2
163.09848	1.3
163.11182	26.1
165.09084	2.9
167.06987	3.3
167.08412	1.3
167.10683	14.5
169.08598	1.5
171.11656	2.5
173.09579	5.5
177.12730	1.0
179.10680	2.0
181.08568	1.5
181.12209	1.7
183.01239	1.0
184.05620	2.5
185.13284	1.5
191.10663	31.6
193.06175	2.2
195.08028	1.3
195.13712	0.8
197.01036	2.1
198.06741	0.8
199.11221	1.4
199.14684	1.0
205.12242	11.2
209.11720	9.9
211.13295	0.8
213.09177	1.3
215.19400	0.8
221.07614	3.6
223.06068	1.0
223.13286	44.7
223.20518	0.8
241.04814	1.0
241.08531	3.1
241.12332	1.6
241.14262	28.0
241.19499	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	241.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
55.01865	2.5
55.05510	5.2
56.96562	19.0
57.03441	7.4
57.07069	4.9
58.06600	14.9
61.02915	2.7
64.70957	1.2
65.28166	1.3
67.05508	6.4
69.03432	14.9
69.07072	7.0
70.06579	4.1
71.01356	1.3
71.04987	3.8
71.60573	2.4
73.02894	4.7
73.06541	1.6
75.02682	1.8
79.05500	2.3
81.03401	2.1
81.07045	4.5
83.04994	3.4
83.08618	3.9
84.04499	2.9
84.08143	8.6
84.96011	2.5
85.02910	15.8
85.06529	2.0
87.04466	4.2
89.00777	1.2
91.05463	4.0
93.03729	8.6
93.07030	3.1
95.04977	2.2
95.08608	3.7
97.02895	19.3
97.06503	2.8
98.97585	22.1
99.04433	2.5
105.07053	1.7
107.04939	1.9
107.08595	4.1
109.02888	3.2
109.06527	1.6
109.23076	1.4
110.97578	2.9
111.11705	1.9
112.01046	1.3
114.93095	1.4
115.03925	3.5
115.20338	1.5
116.16017	1.3
116.98619	28.5
119.01862	3.2
119.04942	3.7
121.06548	1.6
121.10158	2.1
126.83036	1.4
127.03947	3.6
128.02336	2.9
128.07063	3.1
128.10719	3.6
128.98604	4.7
129.06955	1.5
131.00156	1.7
131.01857	1.5
131.03595	1.3
133.03406	2.6
133.04977	1.3
134.01283	1.2
134.99663	25.9
135.11642	2.5
137.05907	1.9
140.00154	2.7
140.02258	3.3
143.00078	3.4
144.98068	1.4
145.01671	2.1
146.99631	6.8
147.03210	3.1
147.04416	11.0
148.04742	2.2
149.01195	2.0
149.02831	4.4
152.04198	1.5
153.00676	5.4
153.05530	1.3
154.01906	1.5
154.03825	2.3
155.04678	2.1
158.01259	5.8
158.99664	4.6
159.03191	1.5
161.01160	3.8
161.04698	8.5
162.99158	2.6
163.02730	5.5
163.04034	1.8
163.11172	2.5
164.05208	1.8
165.00681	1.8
168.10135	1.5
170.99780	2.2
172.95226	1.5
175.02773	2.7
175.04434	5.1
176.02287	2.4
176.05215	4.9
177.00720	14.4
177.04170	3.2
177.05943	2.2
181.31622	1.5
184.03265	2.7
184.04958	9.3
187.02760	1.9
189.00769	2.9
189.04352	1.9
195.01736	7.2
195.55786	2.3
196.09686	3.9
197.03966	6.5
200.02345	4.3
201.00699	2.1
205.00159	1.5
206.04436	4.3
207.05432	1.6
210.06607	1.7
217.00188	1.6
217.55508	3.6
218.03294	1.5
219.01718	7.4
223.01309	3.1
223.13329	1.9
227.12662	3.5
232.06021	2.7
232.56088	1.8
237.02818	12.6
241.06610	19.1
241.15477	100.0
241.19553	5.1
241.56763	2.7
260.04398	1.9
261.02945	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
55.05511	0.7
56.96564	5.7
57.03439	1.5
58.06603	15.5
61.00200	0.2
61.02929	2.6
69.03432	1.4
69.07058	0.3
69.69067	0.3
70.06590	2.6
70.29753	0.5
70.30141	0.5
70.98135	0.5
71.04990	0.7
72.08141	0.7
73.02922	1.4
80.05009	1.0
81.03406	1.1
83.04975	0.4
83.08676	0.3
84.08142	8.4
84.96030	0.3
85.02911	3.5
85.06544	0.3
86.09692	0.5
87.04471	0.6
88.07613	0.3
88.99169	0.4
89.00788	0.4
91.05507	0.3
93.03702	0.4
95.04993	0.4
97.02894	2.0
98.06055	0.5
98.09687	1.0
98.97588	7.8
99.04417	0.4
100.11256	0.4
107.08599	0.4
109.02850	0.4
110.09677	0.5
115.03931	0.5
116.07034	0.3
116.98618	7.2
118.01020	0.4
119.01922	1.6
126.05518	0.5
127.01556	0.7
127.03963	1.3
128.10725	3.3
128.98613	0.5
131.01872	1.0
133.03438	0.6
134.06038	1.3
134.99660	5.5
136.06142	0.4
136.07635	0.5
137.02928	0.4
137.06473	0.5
140.00229	0.3
141.01244	0.4
143.00171	0.4
143.01901	0.5
144.10187	1.1
145.04947	0.4
146.55138	0.3
146.99658	1.0
147.05721	0.8
149.01242	0.4
149.02867	0.5
150.01793	0.4
152.07042	2.4
153.00739	1.0
154.03830	0.4
156.01717	0.3
157.02559	0.6
158.01250	1.1
158.99678	0.8
160.53537	0.3
161.01236	0.4
161.02901	0.9
163.02792	0.3
163.04393	0.8
164.07094	3.4
165.00717	0.8
168.10167	0.8
169.00743	0.5
170.99629	0.4
173.02927	0.4
175.00865	0.3
176.02350	0.4
177.00725	1.5
177.02354	0.5
182.08110	0.6
184.04951	0.6
189.00813	0.5
189.91953	0.3
190.01288	1.0
190.98572	1.3
191.02220	0.4
193.00327	0.4
195.01645	0.8
195.03358	0.3
196.09702	4.8
199.01923	0.5
199.03775	0.3
200.02229	1.6
207.01797	0.4
213.16008	0.5
217.00185	0.6
218.03419	0.4
219.01781	0.7
221.04822	0.3
223.05150	0.3
223.10764	0.3
223.17500	0.3
235.01137	0.4
237.02885	0.8
241.06587	1.1
241.15471	100.0
242.03610	0.4
242.15927	0.5
258.99719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.05507	10.8
56.96562	17.4
57.03437	6.3
59.04968	1.0
69.03428	2.5
69.81271	1.3
69.81676	4.7
71.95255	2.4
81.03410	6.4
81.07056	0.9
81.79542	0.9
83.04546	1.3
83.04983	16.9
85.02452	1.4
85.02892	7.6
95.08591	1.2
97.02858	1.3
98.97581	87.8
99.04417	1.1
109.02840	6.4
112.49892	0.8
112.97681	0.9
115.02472	1.0
116.98614	100.0
117.99001	1.2
118.03529	1.3
119.01913	4.0
120.02018	1.7
129.06955	0.8
130.00003	1.7
131.01903	1.1
134.99655	74.0
135.99908	4.1
136.49962	2.3
137.02957	1.0
137.99670	1.3
138.96356	1.1
140.00185	4.8
141.99930	1.1
143.03622	1.2
145.00476	7.7
145.50560	1.7
146.00400	2.1
147.99936	3.3
148.49951	1.2
151.00433	2.1
153.00696	13.8
154.00992	6.4
154.51030	1.3
155.00822	1.2
156.97484	24.0
157.00436	5.8
157.50485	2.1
157.97519	9.1
158.01266	10.1
158.97247	2.0
159.11678	1.5
161.00748	1.4
161.99580	1.9
162.99263	1.2
166.00989	4.4
170.01250	1.4
171.00192	4.4
171.50316	2.0
172.00105	1.6
174.98560	39.2
175.98653	14.7
176.02412	1.3
176.98267	2.6
177.00757	7.1
178.00987	3.1
178.49582	1.1
179.00745	1.7
179.99287	1.0
180.00568	4.3
180.50810	1.4
180.99089	1.4
181.00566	2.3
181.03072	0.9
186.48480	1.4
187.01619	1.1
189.01315	2.9
189.51289	2.5
190.01048	3.2
194.96613	1.0
195.01759	5.4
198.01805	2.8
198.98550	10.1
199.01511	10.7
199.51671	4.7
199.98621	5.7
200.01524	3.1
200.98322	1.4
201.04218	0.9
203.96931	4.2
206.47327	1.3
208.02052	20.4
208.52121	7.5
209.01973	6.5
210.52289	1.8
212.97505	1.3
213.05995	1.2
214.96523	15.6
215.47751	1.9
215.96593	3.8
216.96437	4.5
216.99576	24.4
217.02570	25.0
217.52670	9.5
217.96524	1.1
217.99718	15.0
218.02571	9.1
218.99486	3.0
219.01993	5.1
219.52989	3.0
220.02914	1.9
222.00102	1.7
226.03113	16.3
226.46677	2.5
226.53186	6.7
227.03073	4.3
228.53391	2.2
229.02643	2.7
229.53235	1.3
234.99982	1.6
237.53853	1.6
238.53508	1.2
240.98445	3.1
241.01582	1.5
241.19548	1.1
256.97467	2.6
257.97470	1.6
258.96729	4.8
258.99774	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	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03954	3.1
55.01861	13.2
55.05512	45.2
57.03428	7.0
57.07071	22.4
59.04993	8.2
63.46115	2.8
67.05169	4.4
67.05502	51.8
69.07066	44.4
70.90825	5.9
71.04984	27.7
71.08631	14.2
79.05494	26.1
81.03410	7.9
81.07053	100.0
83.04989	19.1
83.08604	23.7
85.02904	5.4
85.06554	17.3
87.04475	7.1
89.06023	10.1
91.05477	20.5
93.07042	33.2
95.04964	13.0
95.08606	94.2
96.08900	4.0
97.02886	7.9
97.06528	54.1
97.10169	18.2
97.98484	3.2
99.08085	13.2
105.07033	37.8
106.07355	4.0
107.04961	4.2
107.08595	41.3
109.06511	13.6
109.10151	62.4
110.10438	3.8
111.04465	4.7
111.08071	11.2
111.11737	11.0
113.06034	26.2
113.09619	4.1
115.05369	3.2
117.07014	5.2
119.08588	42.3
120.08942	4.5
121.06470	5.8
121.10152	33.5
123.08061	17.5
123.11703	33.0
125.05984	13.6
125.09608	10.4
127.11217	14.8
129.06950	5.3
131.08563	6.0
133.08615	3.4
133.10118	30.9
134.99721	4.1
135.11670	28.8
137.09627	14.2
137.13274	45.6
139.11176	13.8
143.08571	5.6
143.10654	6.5
145.10092	5.4
147.08049	10.2
147.11681	27.0
148.11972	5.6
149.13226	12.2
151.07565	6.8
151.11203	10.5
153.12703	5.5
155.08604	4.8
157.10146	6.2
157.12230	3.3
159.11768	4.9
161.13287	23.5
163.14854	22.3
165.09064	4.2
165.12747	4.4
167.08575	5.2
168.05820	3.8
169.10132	53.5
171.11696	3.0
171.20113	3.4
172.50287	3.0
175.02551	4.5
175.14825	14.3
177.16394	5.8
177.52652	6.2
179.10683	3.5
179.14340	5.2
181.10138	3.8
183.11697	28.5
185.13304	5.7
191.52344	4.4
193.15900	60.4
193.19595	6.3
194.02716	3.2
195.11743	5.1
197.13242	17.2
197.15269	5.5
203.14372	8.2
203.17989	41.5
204.18275	12.4
206.03169	3.4
209.13335	4.7
211.07545	4.7
211.14857	5.3
221.15375	68.0
221.18900	52.2
222.15631	3.8
222.19371	4.9
239.06998	6.3
239.08952	24.5
239.14201	6.6
239.16403	50.1
239.18077	36.7
239.20145	22.3
258.38541	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.67426	2.6
53.03941	3.8
53.82889	2.5
55.01865	6.4
55.05513	34.7
57.03434	10.8
57.07077	21.3
59.04998	8.8
60.30056	2.6
65.03943	3.6
67.05501	37.4
69.03432	7.6
69.07070	47.5
71.04993	26.6
71.08624	4.6
71.48979	5.7
74.10046	2.7
79.05502	23.5
81.03425	4.2
81.07059	100.0
82.17667	2.4
83.04984	45.7
83.08618	23.1
85.02894	15.9
85.06541	55.1
89.06046	5.6
91.05468	17.3
93.07048	47.0
95.04967	14.3
95.08611	84.2
97.02898	4.0
97.06544	18.7
97.10151	15.2
98.97585	2.8
99.04458	9.5
99.08091	13.9
105.07030	36.1
107.04959	5.4
107.08600	54.8
109.06557	6.8
109.10157	47.9
109.10839	4.5
111.04427	13.4
111.08103	10.4
111.11743	26.3
112.31892	3.1
113.06040	4.8
113.09638	3.7
119.08580	38.4
121.06509	7.5
121.10150	22.3
123.08090	9.1
123.11722	30.3
125.09605	17.3
125.13348	3.5
126.28712	2.9
127.03918	4.1
127.11201	6.5
129.06927	3.0
131.00140	2.8
131.08583	6.3
133.06519	3.9
133.08600	3.0
133.10141	29.1
135.08104	3.7
135.11694	61.5
137.05969	4.6
137.09613	11.6
137.13260	24.4
139.07564	6.6
139.11191	8.0
141.06903	2.9
143.08617	2.9
145.10110	3.8
147.04430	3.9
147.08028	5.1
147.11713	27.0
149.06079	2.8
149.13248	19.7
151.07478	2.9
151.11189	4.0
153.12740	14.8
155.08569	7.5
155.10707	6.7
157.04935	3.9
157.10211	2.9
161.09665	7.4
161.13271	18.9
163.07570	5.8
163.14864	16.3
165.07098	3.8
165.12743	6.3
166.07890	2.7
167.14339	3.4
169.10188	8.9
175.11113	3.2
175.14864	11.2
177.05527	6.1
177.16386	4.2
179.10687	6.1
181.08716	4.5
183.11717	10.5
193.06284	2.6
193.12280	3.3
193.15895	7.8
193.19463	3.5
197.13330	8.3
198.18633	2.9
199.15045	2.7
203.17969	55.7
206.32483	3.2
211.07538	5.1
211.14943	6.1
216.02129	2.8
221.08191	4.6
221.11723	7.8
221.15622	15.5
221.19028	60.8
239.06987	6.1
239.08965	31.8
239.14372	7.5
239.18013	15.6
239.20053	44.1
239.23660	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01867	4.5
55.05517	20.8
56.96573	16.8
57.03435	4.8
57.07082	14.6
59.04990	3.4
67.05236	2.6
67.05511	35.3
69.03424	5.6
69.07073	34.3
70.36212	11.1
71.04987	11.1
71.08601	3.3
79.05491	23.3
79.32236	2.9
81.07053	83.3
83.04971	13.0
83.08614	15.2
85.06546	5.9
89.06023	14.0
91.05478	39.0
93.07047	39.9
95.04963	4.4
95.08612	88.9
97.02877	5.4
97.06503	11.7
97.10155	6.4
99.04433	11.7
99.08102	5.2
105.07037	64.8
107.08593	43.1
109.06519	7.2
109.10155	46.5
111.04464	3.4
111.08111	7.4
111.11713	3.9
113.09592	4.0
115.55585	3.1
117.07068	3.3
119.08581	65.4
121.06454	3.6
121.10155	34.7
123.08083	7.1
123.11714	34.3
125.13260	4.4
129.07011	5.0
131.00006	5.7
131.08571	6.3
133.06459	6.1
133.08611	6.3
133.10124	56.5
135.08060	5.5
135.11681	10.4
137.05933	3.5
137.09639	12.8
137.13248	7.7
143.08508	5.0
145.10126	10.6
147.08081	14.6
147.11684	86.4
149.13260	6.5
151.07568	3.9
151.11189	7.9
155.08542	8.8
159.11691	7.1
161.09555	11.9
161.13229	23.8
163.11140	6.5
163.14818	12.1
165.09164	8.5
165.12755	35.6
168.09384	4.3
169.10124	22.9
171.11679	4.4
175.11180	6.3
175.14803	10.8
177.16389	4.0
179.10591	7.1
179.14326	7.1
181.10068	6.7
181.12318	3.4
183.11705	25.7
185.13055	3.4
189.09146	9.3
192.09247	3.2
193.71530	3.1
195.11658	3.6
196.12479	5.4
197.13286	13.7
203.10666	4.8
203.14430	4.0
203.17960	85.7
205.09898	8.7
207.60156	5.1
209.13170	3.5
210.92171	5.3
211.14883	5.9
216.60712	12.1
221.11620	6.0
221.15659	15.7
221.19009	100.0
224.15515	3.5
239.08902	27.3
239.14314	12.2
239.17950	39.5
239.20105	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.84007	2.1
53.03943	3.4
55.01868	5.1
55.05509	29.9
56.43900	2.2
56.96555	4.2
57.03433	4.7
57.07080	17.9
59.04998	16.0
67.05499	30.9
69.03431	4.9
69.06719	3.8
69.07065	46.9
70.99836	7.3
71.04990	16.9
71.08625	5.0
73.53228	2.6
78.56828	2.1
79.05492	15.0
81.03394	2.3
81.07056	91.8
83.04980	14.3
83.08626	18.5
85.02895	8.1
85.06532	13.0
87.04470	3.1
89.06033	3.6
91.05470	20.0
93.07048	39.4
95.04977	6.5
95.08610	100.0
97.02885	3.2
97.06530	15.2
97.10156	16.0
99.04452	5.2
99.08091	7.6
105.07037	37.8
107.08591	51.6
107.97083	2.1
109.06498	4.7
109.10152	56.3
111.04472	2.3
111.08042	9.4
111.11720	20.2
113.06026	2.2
113.09618	5.0
115.07568	3.5
119.08577	40.3
121.06442	2.9
121.10131	32.0
123.08067	7.5
123.11707	37.6
125.09614	9.3
127.11185	6.5
131.08536	3.5
133.10133	33.4
135.08076	2.8
135.11691	47.3
137.09602	7.3
137.13266	46.0
139.11163	8.9
143.10661	5.7
145.10129	4.1
147.04404	2.8
147.08105	3.2
147.11703	30.7
149.13243	18.6
151.07590	2.7
151.11186	9.8
151.14801	5.1
153.12776	7.0
155.08507	5.6
155.50429	2.7
157.05142	2.8
157.10123	3.2
157.12242	2.7
161.09622	3.2
161.13245	18.3
163.14818	26.5
165.12723	5.3
169.10120	14.0
175.14842	8.8
177.16348	15.1
179.10724	4.7
183.08040	3.0
183.11673	7.4
193.12219	3.2
193.19493	6.1
195.11676	4.3
197.13246	4.6
203.17946	80.8
221.15466	5.5
221.19005	71.0
239.06932	3.6
239.08980	17.3
239.14308	5.8
239.17941	16.6
239.20064	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	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.04647	1.8
55.01886	1.9
55.05510	13.2
56.96568	13.3
57.07081	9.6
57.07303	1.7
57.22721	2.0
64.68484	2.2
66.16412	2.0
67.05504	38.4
67.12496	1.8
69.07067	42.3
70.77358	5.6
71.04987	18.2
71.08606	2.4
79.05492	19.8
79.61613	1.9
81.07056	70.2
83.04985	4.5
83.08616	13.5
85.06535	6.5
87.04491	2.6
89.06000	5.8
91.05484	26.2
93.06479	3.2
93.07037	33.5
95.04961	3.4
95.08607	82.3
97.06508	10.5
97.10175	8.2
99.04457	4.7
99.08099	2.6
102.24119	1.9
105.07033	63.0
107.08598	34.5
109.06546	3.7
109.10155	82.0
111.08082	4.1
111.11659	3.0
113.06010	5.0
117.06974	3.8
119.08572	48.9
121.10139	30.1
123.08056	8.5
123.11697	20.7
125.09628	3.1
129.07007	3.5
130.99985	2.5
131.08546	5.4
133.08621	2.6
133.10127	35.2
135.11684	33.4
137.13260	9.9
141.06989	3.4
143.08611	4.3
144.05479	2.5
145.10135	8.0
145.51749	2.4
147.10507	4.4
147.11684	84.5
149.13286	12.5
151.11180	5.7
154.07797	2.8
155.08549	9.8
157.10100	6.4
159.03339	2.1
159.11682	3.5
161.09613	2.8
161.13252	17.4
163.14793	9.4
165.06978	2.6
165.12753	46.6
167.08534	4.8
168.09285	5.8
168.10721	1.7
169.10123	38.3
175.14870	4.9
176.24319	2.2
177.16382	7.1
179.54080	2.0
180.09253	2.1
181.10132	3.7
182.10925	8.6
183.10222	4.0
183.11705	37.3
184.12378	2.4
185.13350	2.6
191.17921	17.5
193.10100	3.2
195.08423	3.1
195.11696	8.1
196.09235	3.0
196.12457	2.5
197.09604	3.8
197.11487	2.9
197.13275	28.1
203.17960	85.3
205.09894	2.9
209.13235	7.0
209.19051	2.8
211.14822	6.3
215.59891	4.7
216.10124	2.2
216.60623	8.1
221.13359	4.1
221.15462	5.1
221.18997	100.0
224.15527	3.6
228.11404	2.9
239.08904	15.4
239.14459	19.8
239.17912	58.1
239.20088	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.97770	1.9
55.05496	7.8
56.96562	2.7
57.03408	2.4
57.07063	4.5
61.27198	2.0
67.05229	1.7
67.05513	21.8
69.07069	29.7
70.83562	2.9
70.83907	3.6
71.04639	2.2
71.05005	17.9
79.05518	12.9
81.06576	3.2
81.07062	55.0
83.04965	1.8
83.08611	8.2
85.06536	3.0
91.05481	28.0
93.07040	25.9
95.08611	59.2
95.09228	2.8
97.06515	6.2
97.10161	5.4
105.07036	57.1
107.08591	32.7
109.10162	80.8
111.11695	3.4
119.08582	37.2
121.10159	27.6
123.11739	16.5
131.08569	3.4
133.10130	34.9
135.11707	30.1
137.09512	2.0
137.13234	6.6
142.39804	2.2
145.10117	2.5
147.07982	2.0
147.11699	89.5
149.13231	7.6
151.11179	5.5
161.13268	15.4
163.14824	6.2
165.12769	45.3
169.03207	2.2
169.10150	10.9
175.14847	6.6
177.16393	5.5
179.14339	2.4
183.11725	3.9
187.75212	2.0
191.17995	21.8
193.19667	2.3
203.17970	87.8
209.19000	3.7
221.19026	100.0
222.19473	1.8
239.08893	3.2
239.17938	5.4
239.20059	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
54.60632	2.8
55.01872	4.8
55.05517	28.5
57.03436	5.1
57.07084	18.5
59.05007	15.7
64.16891	2.7
67.05506	36.8
69.03418	4.8
69.07078	47.3
71.04992	13.3
71.08640	7.5
71.58924	3.7
71.59297	5.2
79.05508	16.8
81.06580	4.7
81.07060	88.1
83.04986	9.0
83.08631	27.1
85.06530	19.8
86.09717	3.6
87.04499	4.0
89.06025	8.0
91.05470	14.9
93.07050	32.2
95.04963	6.2
95.08614	100.0
97.06535	27.1
97.10182	14.7
99.04475	3.1
99.08118	9.9
101.02412	3.9
101.69826	3.2
105.07034	29.8
107.08597	45.2
109.06528	7.8
109.10166	54.9
111.08099	9.7
111.11722	12.4
113.06007	8.5
115.07590	6.6
119.08598	36.0
121.10155	36.4
123.08076	7.5
123.11720	27.2
125.06004	5.9
125.09634	14.8
127.11217	10.3
131.08540	5.5
133.10135	31.8
135.08102	3.3
135.11705	33.9
137.09666	9.5
137.13255	48.5
139.11185	19.7
143.08585	3.3
143.10667	8.0
145.10091	5.5
147.08023	4.2
147.11697	20.8
149.10857	3.3
149.13284	9.6
151.11176	13.1
151.14783	3.4
155.08582	3.7
157.10152	6.7
157.12326	3.6
159.11714	4.9
161.09569	5.4
161.13264	22.9
163.14850	25.1
165.12827	4.2
169.10138	39.3
175.11185	4.9
175.14828	9.3
177.16393	11.7
179.10562	3.3
179.14325	6.4
179.45253	2.9
183.11777	16.4
193.16013	16.1
193.17450	3.0
193.19563	4.7
195.11794	4.6
196.05281	3.0
197.13310	12.7
203.14357	6.2
203.17952	49.8
209.13245	4.4
210.13965	4.5
221.15443	26.2
221.18997	60.2
239.08980	15.3
239.14200	6.7
239.16302	13.9
239.17992	28.0
239.20135	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.33488	2.8
55.05508	33.3
55.06193	2.9
56.39872	2.8
56.96574	3.2
57.03437	6.1
57.07077	15.7
59.05000	19.6
64.04829	3.1
67.05508	31.4
69.03410	12.6
69.06725	4.0
69.07072	48.6
70.77920	10.4
71.04992	18.4
71.08618	7.7
79.05499	15.8
81.03411	10.7
81.07055	83.6
83.04979	6.2
83.08604	26.6
85.02879	7.7
85.06548	22.6
89.06003	6.1
91.05462	10.8
93.07038	35.7
93.42400	2.8
95.04959	5.2
95.08605	100.0
97.02900	19.0
97.06526	17.0
97.10134	22.2
98.97584	5.1
99.04478	3.2
99.08090	8.7
105.07066	18.4
107.08600	48.3
109.06490	3.7
109.10153	50.5
110.10514	3.3
111.08064	13.1
111.11710	16.0
117.07013	3.1
119.08566	43.0
121.10141	38.0
123.08051	4.7
123.11717	31.8
125.09598	13.7
127.03880	3.0
127.11185	3.9
131.08650	4.0
133.10120	36.0
135.11697	42.4
137.05936	4.3
137.09581	5.5
137.13254	69.3
139.11174	22.6
143.10686	9.2
145.10103	5.1
147.11674	30.7
149.13283	15.9
151.11192	12.3
155.08545	4.4
157.10127	3.9
157.12219	4.5
159.11705	5.3
161.13283	19.8
163.14824	29.0
165.09109	5.3
165.12750	8.6
169.10117	11.4
171.11731	4.7
175.14780	7.0
177.00720	4.6
177.16403	7.6
183.11682	14.0
193.15800	3.7
193.19501	7.3
197.13264	7.6
203.17970	53.3
208.05742	15.1
208.07591	4.5
221.15480	7.5
221.18997	69.8
223.08180	9.0
226.06828	13.2
227.07008	4.1
239.08813	15.7
239.14432	5.6
239.17921	24.6
239.20081	51.9
241.09178	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	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03946	2.0
55.01863	3.3
55.05510	19.5
57.03440	4.7
57.07064	3.4
59.05003	1.0
61.96468	0.8
65.03937	1.9
67.05173	1.2
67.05508	17.0
69.03429	8.4
69.07066	7.9
71.01356	1.7
71.04998	10.0
71.08607	1.5
71.57914	1.4
77.03950	0.9
79.05498	8.2
81.03410	3.6
81.07057	21.7
83.04984	100.0
83.08609	3.1
84.05322	2.0
85.02917	7.8
85.06525	2.5
87.04428	1.0
89.06039	1.5
90.18661	0.8
91.05486	7.5
93.07050	12.9
95.04973	19.8
95.08610	33.2
97.02896	2.1
97.06505	7.3
97.10162	2.0
99.04446	7.2
99.08076	2.5
103.05421	1.0
105.07035	27.0
107.04956	1.7
107.08602	15.3
109.02863	4.2
109.06516	4.3
109.10157	14.9
111.04443	25.1
111.08102	1.2
113.06009	8.3
115.05437	1.0
117.06998	1.8
118.98155	0.9
119.08583	23.7
121.06515	5.3
121.10143	19.9
123.04423	2.3
123.08068	2.3
123.11693	8.6
125.05981	2.5
125.09607	1.6
127.03918	7.6
129.05475	1.5
129.07007	2.3
131.08531	1.6
133.06490	3.2
133.10132	10.3
135.04425	3.1
135.08051	1.2
135.11673	5.2
137.05975	6.9
137.09592	1.8
137.13266	1.0
139.03871	1.1
141.05457	3.0
141.09171	1.1
143.08548	2.8
145.10106	5.9
147.08052	2.7
147.11682	23.6
149.05974	3.4
149.13266	3.2
151.07561	5.0
151.11211	1.6
153.05464	20.4
155.08511	1.2
157.04956	7.7
157.10168	2.2
159.11681	2.6
161.09621	1.3
161.13274	8.8
163.11172	1.1
163.14789	8.2
165.05565	2.1
165.09151	1.4
165.12706	1.7
167.06999	0.9
169.04971	6.8
169.10083	3.9
175.07591	2.0
175.14813	2.2
177.16400	10.6
179.07005	5.7
179.10580	0.8
183.11703	2.0
185.13251	4.2
193.08592	2.9
197.13243	2.6
203.14348	3.7
203.17957	37.1
211.09711	1.3
221.08080	2.3
221.11787	1.9
221.15524	2.1
221.19006	19.0
239.09114	19.2
239.12793	19.2
239.17981	3.5
239.20078	9.7
240.13039	0.9
258.34396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.9
57.07077	16.5
65.03935	1.2
66.76422	1.4
67.05514	14.1
68.74936	1.2
69.07069	66.3
70.21112	6.0
70.95900	1.2
71.08614	1.6
79.05486	4.5
81.07060	66.3
83.08582	1.6
89.06026	2.4
93.07038	3.6
95.08608	70.4
103.07587	1.8
105.07027	2.9
107.08598	1.8
109.10139	8.9
119.08593	3.5
137.13258	59.3
141.06981	6.7
141.08002	1.3
141.09128	1.3
143.08621	2.2
145.10162	1.9
153.06952	1.9
154.07784	10.5
155.08563	17.8
156.09340	1.8
159.11714	1.8
162.58563	1.2
165.07092	1.7
168.09363	3.1
169.10135	100.0
170.10474	1.8
171.11775	1.6
181.10107	3.1
182.10916	4.6
183.11702	29.8
184.12187	1.4
195.11696	5.1
196.12512	1.9
197.13264	18.0
209.13290	3.5
210.14024	1.9
211.14857	3.6
216.03223	3.2
224.15675	4.8
239.14426	10.9
239.17963	47.6
240.06708	1.5
240.18408	1.6
244.07764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.39680	1.4
53.03931	3.6
55.01852	1.8
55.05514	14.9
56.96572	7.9
57.03420	2.2
57.07070	4.5
67.05503	41.3
69.03440	1.9
69.06714	2.4
69.07063	21.5
70.84653	2.0
70.85008	4.5
71.05008	12.6
71.08629	3.9
79.05479	11.5
81.03416	3.0
81.07058	52.1
83.04972	10.9
83.08614	7.4
85.02914	3.1
85.06543	40.2
89.06007	4.3
91.05469	14.8
93.07042	29.2
95.04975	5.1
95.08604	94.7
97.06542	8.4
97.10169	4.0
99.08073	14.2
101.06019	1.8
105.07032	30.5
107.08599	34.2
109.06532	3.1
109.10162	39.2
109.88538	1.8
111.04431	2.2
111.08086	4.0
113.05973	2.3
113.09664	4.7
117.07037	5.8
119.08580	52.2
121.10146	54.3
123.08047	2.5
123.11701	15.7
125.09621	4.3
127.11198	8.0
128.06241	2.2
129.06990	9.3
131.08566	5.4
133.10124	24.0
135.08061	2.5
135.11696	8.6
137.09613	3.5
137.13255	2.4
139.11183	4.9
141.06926	8.0
142.07822	2.3
143.08540	9.1
145.10115	10.0
147.08105	4.6
147.11679	18.0
149.13239	2.7
151.11180	5.3
154.07796	2.9
155.08577	11.7
156.09325	2.0
157.10150	15.4
159.11676	10.3
161.09662	4.5
161.13231	11.7
163.11230	2.3
163.14867	10.9
165.09138	4.4
165.12820	2.2
167.08563	3.4
168.09375	4.7
169.10146	27.6
170.10817	2.4
171.11679	16.4
175.14879	5.2
177.16425	6.5
179.08537	1.9
179.14394	2.3
181.10115	6.0
182.10915	5.2
183.11696	41.2
184.12326	2.7
185.13307	5.9
189.09145	3.0
193.12291	2.1
195.11708	6.0
195.13799	2.2
196.12460	2.3
197.13242	31.6
203.14388	4.3
203.17979	31.0
203.19757	2.7
209.13254	7.0
210.14038	4.9
211.14711	8.1
216.60677	4.5
221.11671	2.9
221.15416	6.4
221.19006	13.3
224.15599	3.6
228.11591	2.2
239.08838	11.0
239.11044	2.3
239.14253	6.5
239.17990	100.0
239.20042	7.8
240.18320	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	239.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18989	0.3
55.05513	2.1
57.03418	0.3
57.07075	1.4
67.05489	1.2
69.07060	1.8
71.04971	0.4
71.08626	0.8
71.58857	0.4
71.59242	0.3
79.05500	0.4
81.07056	2.4
82.45011	0.3
83.08614	1.4
85.06531	0.6
85.10171	0.4
88.92334	0.3
91.05475	0.6
93.07030	0.8
95.08597	2.0
97.10150	0.9
99.04417	0.5
99.08063	0.3
100.87160	0.3
105.07034	1.0
109.10145	0.9
115.05459	0.7
119.08575	0.9
121.10133	0.8
123.11671	0.3
128.06212	0.6
129.06979	1.0
131.08569	0.3
133.10146	0.7
141.06973	4.0
142.07747	0.5
143.08582	1.1
145.10115	1.0
147.11681	0.3
153.06993	1.1
154.07764	6.8
155.08551	11.3
156.09325	0.6
157.10161	1.5
159.11714	0.4
165.07039	0.5
167.08537	1.3
168.09364	3.4
169.10118	100.0
170.10504	1.2
171.11699	1.4
173.13222	0.4
181.10146	0.9
182.10931	1.9
183.11688	21.4
185.13269	0.5
195.11708	2.7
196.12476	0.9
197.09486	0.5
197.13242	8.7
209.13243	1.5
210.14122	1.4
211.14772	2.0
221.13371	0.4
221.15341	0.5
224.15622	1.8
239.08910	0.6
239.14529	1.9
239.17944	34.2
240.18309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.05505	3.0
56.96553	0.6
57.03436	0.6
57.07074	2.2
59.04986	0.5
60.56194	0.3
65.01627	0.3
67.05508	4.0
69.03425	2.5
69.07068	5.0
71.60712	0.4
72.24236	0.2
73.06562	2.1
74.53019	0.2
76.71617	0.2
79.05487	3.1
81.07057	6.7
83.04966	0.9
83.08611	1.3
84.95827	0.3
91.05477	7.2
93.07040	5.4
95.04948	1.1
95.08598	5.6
97.02895	4.0
105.07027	10.4
107.04948	0.8
107.08606	3.1
109.06516	2.5
109.10164	2.1
111.04429	0.8
111.08041	0.5
115.05468	0.7
117.07000	1.7
119.08576	29.8
120.08917	0.6
121.06471	1.1
121.10167	2.5
123.08056	2.2
123.11699	0.8
128.06233	1.4
129.07016	2.3
130.07756	0.4
131.00041	0.6
131.08566	2.6
131.15532	0.3
133.06499	0.8
133.10127	22.2
135.11699	0.5
137.09605	2.7
141.06984	5.9
142.07759	2.0
143.08539	5.2
145.06477	0.5
145.10115	5.9
146.07251	0.6
147.08043	13.4
147.11688	0.7
151.11182	1.0
152.06250	0.4
153.07004	3.1
154.01518	0.3
154.07771	3.5
155.08554	14.5
156.09369	2.8
157.10124	6.7
159.11702	2.2
161.09619	8.8
163.11131	0.4
165.06982	3.1
165.09119	10.1
166.07819	0.9
167.08560	5.0
168.09348	6.7
169.06465	1.2
169.10124	35.6
170.10812	1.2
171.08063	1.1
171.11697	4.6
178.07794	0.7
179.08566	4.5
179.10669	5.6
180.09354	2.3
181.06538	0.7
181.10133	6.9
182.07298	0.4
182.10909	9.0
183.08174	4.9
183.11691	44.3
184.12422	2.1
185.13200	0.9
189.09102	7.1
189.10727	0.5
191.08545	1.5
192.09337	0.7
193.10117	1.7
193.12071	0.3
194.10957	0.6
195.07994	0.9
195.11696	12.6
196.08871	0.8
196.12468	6.0
197.09641	5.5
197.13252	37.3
198.13840	0.9
205.09935	1.1
206.10898	2.5
207.10179	4.6
209.09637	2.1
209.13242	7.8
210.10437	1.2
210.14027	6.7
211.11348	2.4
211.14810	11.0
216.60704	0.9
221.11639	4.9
221.13287	8.6
222.13815	0.6
224.12117	2.2
224.15576	8.0
226.94258	0.3
233.89598	0.3
239.14310	39.7
239.17952	100.0
240.14822	0.6
240.18280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62041	0.2
54.16468	0.3
55.01871	0.7
55.05514	2.8
56.96338	0.2
56.96569	2.8
57.03429	0.5
57.07077	2.2
64.26795	0.2
67.05207	0.2
67.05505	2.4
69.06721	0.4
69.07068	4.6
70.86384	0.2
70.92949	0.3
70.93307	0.4
71.05011	0.3
71.08629	1.2
79.05493	1.1
81.07055	4.0
83.04974	0.4
83.08631	1.3
85.10169	0.7
86.40488	0.2
89.06028	0.2
89.97243	0.2
91.05494	1.7
93.07034	0.9
95.04969	0.5
95.08609	5.1
97.10155	0.4
98.14905	0.2
105.07031	4.1
107.08560	1.0
109.06602	0.2
109.10157	1.3
115.05446	0.5
117.07022	0.8
119.08581	4.4
121.10141	0.8
123.11711	0.3
128.06175	1.2
129.06990	1.6
130.07864	0.4
131.00026	1.0
131.08572	1.9
133.10135	2.4
135.11652	0.3
141.05948	0.4
141.06985	5.0
142.07784	2.5
143.08566	3.7
145.10120	4.2
147.08131	0.3
147.11707	0.5
149.01067	0.3
152.06134	0.3
152.08403	0.4
153.06960	2.5
154.01566	0.3
154.07767	2.8
155.08559	15.1
155.54926	0.2
156.09334	2.5
157.06497	0.4
157.10130	7.2
159.11700	2.9
165.06964	2.6
166.07823	0.9
167.08562	5.0
168.09369	6.2
169.06569	1.4
169.10129	36.3
170.10915	1.3
171.08011	1.0
171.11674	4.3
173.13315	0.4
175.02753	0.3
178.07768	0.8
179.08543	4.1
180.09348	2.2
180.92480	0.2
181.06447	0.6
181.10121	8.4
182.07335	0.5
182.10916	9.4
183.08192	4.5
183.11696	43.0
184.12450	2.0
185.13251	1.1
191.08533	1.6
192.09357	0.7
193.10074	2.0
194.10925	0.9
195.08041	0.9
195.11703	12.5
196.08997	1.0
196.12468	6.6
197.09639	4.8
197.13263	38.0
198.13884	0.8
205.09901	2.3
206.10934	2.7
207.11557	0.3
207.60121	0.6
209.09769	1.5
209.13254	8.1
210.10458	1.1
210.14038	6.6
211.11426	1.8
211.14821	11.6
212.15115	0.3
214.10432	0.6
216.60640	3.2
219.11017	0.6
221.13257	8.8
221.15413	0.5
223.11113	0.3
223.14722	0.3
224.12132	2.2
224.15585	8.7
225.61386	0.4
228.11426	1.5
237.16438	0.3
239.14314	39.2
239.17958	100.0
240.14658	0.8
240.18307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05566	0.2
55.05310	0.2
55.05516	1.8
57.07058	0.2
67.05508	0.4
69.07066	0.8
69.89555	0.5
69.89965	0.6
75.79475	0.2
79.05477	0.2
81.07065	0.3
83.08619	0.8
85.06551	0.2
91.05482	0.3
95.08608	0.6
97.10144	0.9
105.07031	0.3
114.06140	0.2
115.05453	0.3
119.08524	0.2
128.06218	0.5
129.06995	1.1
131.08539	0.2
133.10095	0.2
141.06989	4.9
142.07745	0.7
143.08545	0.9
145.10123	0.4
152.06215	0.3
153.07010	1.2
154.07773	8.5
155.08556	11.1
156.09282	0.5
157.10077	0.8
165.05504	0.2
165.06891	0.3
167.08571	1.2
168.09355	2.8
169.10123	100.0
170.10492	1.1
171.11659	0.6
173.13268	0.4
173.82491	0.2
180.09462	0.2
181.10130	0.9
182.10843	0.8
183.11696	19.1
184.12158	0.3
185.13197	0.2
195.11713	1.9
196.12468	0.2
197.13248	6.8
209.13193	0.9
210.14096	1.1
211.14796	2.0
224.15591	1.4
224.87189	0.2
232.49422	0.2
239.17949	32.0
240.18260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01875	2.3
55.05508	10.9
56.96561	6.5
57.03433	3.1
57.07075	6.1
59.04999	3.3
65.03947	1.8
67.05499	18.1
69.03425	7.8
69.07067	11.9
71.04987	7.3
71.59359	1.7
73.06557	5.5
79.05500	10.4
81.07057	31.2
83.04980	12.3
83.08607	5.5
85.02908	1.6
85.06546	10.4
89.06023	4.6
91.05469	19.3
93.07040	24.2
95.04973	8.0
95.08606	37.3
97.02888	12.3
97.06538	4.5
97.10152	3.0
99.04449	3.7
99.08075	4.0
103.05444	2.5
105.07027	36.3
107.04954	2.9
107.08595	23.5
109.06518	8.7
109.10154	16.9
111.04433	5.2
111.08109	3.2
113.09615	1.9
117.07037	4.1
119.08578	100.0
121.06529	3.5
121.10141	20.8
123.08067	11.4
123.11709	9.5
125.05988	1.6
125.09648	1.6
127.11176	1.6
128.06160	2.2
129.06996	2.6
131.00012	1.8
131.08574	3.4
133.06502	2.5
133.10126	79.3
135.08080	2.2
135.11690	4.7
137.06006	1.4
137.09645	9.2
137.13229	2.1
139.11136	2.0
141.07022	1.8
143.08560	6.4
145.06461	1.8
145.10103	5.7
147.08037	39.1
147.11685	9.7
151.11246	5.6
155.08537	3.2
157.10114	2.6
159.11681	2.3
161.09624	27.5
161.13260	4.9
163.11163	1.3
163.14824	4.7
165.09106	33.9
165.12779	1.8
168.09344	1.9
169.10115	9.5
171.11758	1.5
172.02725	1.6
175.14839	1.6
177.12904	1.2
177.16428	2.3
179.10669	17.1
179.17944	1.7
181.10211	1.3
182.10959	1.7
183.11685	9.8
185.13248	1.3
189.09100	26.3
193.12225	2.3
195.11658	1.7
196.09157	1.8
197.13226	7.2
203.17967	15.3
207.10158	14.9
209.13216	1.6
210.14194	1.2
211.14752	1.6
221.11705	18.4
221.15356	2.7
221.18988	10.9
224.15512	1.8
239.08934	10.6
239.12732	3.4
239.14508	2.3
239.18048	20.6
239.20082	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	239.1644
Annotation	Penihydrone
Peak:m/z	Relative Intensity
51.11823	1.8
51.80484	1.9
53.03934	4.0
55.01872	7.5
55.05517	18.0
57.03431	4.3
57.07080	11.2
59.04994	3.1
61.02929	4.2
65.03943	3.7
67.05513	29.5
69.03432	13.9
69.07074	23.8
70.06578	2.2
71.04984	16.9
71.08636	5.1
71.60580	2.9
79.05499	21.6
79.37584	2.2
81.03389	4.9
81.07060	50.7
83.04982	41.7
83.08611	11.9
85.02931	12.0
85.06548	17.8
87.04459	4.5
89.06055	6.2
91.05478	32.5
93.07050	33.2
95.04986	20.2
95.08607	86.8
95.88642	2.4
97.02897	11.9
97.06533	16.2
97.10184	4.2
99.04469	7.1
99.08055	2.7
105.07030	42.6
107.04952	3.7
107.08592	29.2
108.95972	2.7
109.06533	21.2
109.10163	21.8
109.55784	2.3
111.04457	9.1
111.08070	8.3
113.06000	2.6
117.07027	8.2
119.04945	30.3
119.08583	55.4
121.06522	7.0
121.10140	24.4
123.08088	8.1
123.11728	8.7
124.97624	2.3
125.05978	19.4
125.09632	4.0
127.07555	3.3
129.05455	5.1
129.07010	7.4
130.07767	3.7
131.08563	19.8
133.06494	5.4
133.10130	57.1
135.08072	8.2
135.11710	20.7
137.05975	14.7
137.09605	7.8
137.13211	5.2
139.07539	3.0
139.11195	2.8
141.12738	2.3
142.07800	7.5
143.07059	22.5
143.08563	16.4
144.09355	2.7
145.10126	25.5
147.03223	4.9
147.04410	100.0
147.08038	9.5
147.11722	13.2
148.04758	4.4
149.09630	4.0
149.13258	3.2
151.07542	3.8
155.07056	25.8
155.08437	4.7
156.09331	3.2
157.10115	13.4
158.10924	3.7
159.11713	16.1
161.09653	9.9
161.13258	25.0
163.11182	4.4
165.06911	2.4
165.09148	6.2
167.06996	2.3
169.08774	2.8
169.10086	5.2
170.10884	21.3
173.13255	28.3
175.11191	5.6
175.14833	34.7
178.96498	2.9
179.06999	3.7
179.10736	6.3
179.14337	2.8
183.11655	3.0
184.99651	2.5
185.13283	30.8
186.30060	2.5
191.14334	14.3
193.08653	2.9
193.12241	3.2
193.15939	4.8
203.14322	46.9
221.08263	2.3
221.11742	6.5
221.15363	34.5
221.18854	2.4
221.22615	2.5
239.06882	3.2
239.08899	26.8
239.12651	5.6
239.16302	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.05510	4.5
57.07071	2.0
59.04984	1.4
63.93571	1.1
65.03962	1.4
67.05508	9.1
68.99866	0.9
69.03423	7.6
69.07065	3.8
70.64563	3.0
70.64926	1.4
71.05000	2.1
72.19533	1.1
73.06544	7.1
79.05493	10.0
80.58138	1.0
81.07053	12.6
83.04961	5.3
83.08612	1.1
85.02946	1.0
85.06541	1.2
87.06792	1.1
89.06025	1.5
91.04932	1.0
91.05476	19.7
91.06012	1.8
93.07039	14.2
94.45229	1.0
95.04965	4.6
95.08607	11.2
96.18264	1.2
97.02894	15.9
97.06556	1.1
99.04467	3.3
99.08097	1.1
103.05453	1.1
105.07027	30.5
107.04940	3.7
107.08595	11.9
109.06519	7.8
109.10136	6.0
111.04438	4.4
113.05972	1.1
115.05454	1.1
117.06998	4.9
119.04902	1.2
119.08578	100.0
120.08919	1.5
121.06507	3.3
121.10152	7.1
123.08082	9.1
123.11707	3.2
128.06247	2.9
129.07062	1.3
131.08545	2.6
132.05743	1.2
133.06511	3.5
133.10130	73.6
135.08086	1.7
135.11665	1.3
137.05989	2.1
137.09616	6.8
143.08556	8.0
145.06525	2.0
145.10103	2.4
146.07246	1.7
147.04408	4.7
147.08040	46.9
147.11714	1.8
148.08675	1.4
151.11185	4.1
160.05266	1.1
161.09616	32.0
163.11223	3.0
165.09126	40.5
166.39107	1.2
169.10161	4.5
171.57677	1.0
175.07568	2.6
175.11143	1.4
179.10674	20.1
183.11711	2.1
189.09105	27.1
193.12250	2.6
197.13292	2.3
203.07103	1.8
203.10663	1.9
206.12659	1.1
207.10178	17.7
221.08136	4.2
221.11696	25.1
221.15094	2.0
239.06844	1.6
239.08942	8.9
239.12733	2.8
239.17998	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	239.1278
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
53.03939	0.7
55.01860	2.1
55.05507	4.2
57.03440	0.9
57.07070	1.4
59.04988	2.5
67.05501	8.3
69.03428	8.8
69.07072	4.1
71.04977	2.2
73.06551	7.1
73.84370	0.6
79.05492	10.4
81.03404	1.1
81.07057	14.6
83.04980	7.5
83.08617	1.4
83.10062	0.6
85.02912	1.2
85.06532	0.8
89.06014	2.0
91.05481	19.0
93.06472	1.0
93.07046	17.8
95.04973	4.3
95.08602	11.4
97.02895	16.5
97.06544	1.9
99.04449	2.9
99.08063	0.7
103.05452	1.1
105.03416	1.4
105.07029	29.4
107.04943	3.1
107.08598	12.1
109.06521	7.3
109.10158	7.0
111.04428	5.0
111.08055	1.4
111.11784	0.6
113.05972	1.1
115.05471	1.1
117.07031	4.7
119.04933	1.7
119.08580	100.0
120.08880	0.8
121.06483	3.6
121.10150	7.9
122.33454	0.6
123.04442	0.9
123.08064	11.3
123.11673	3.8
125.06026	1.4
125.09619	0.9
127.03948	1.0
128.06221	2.2
129.06966	0.8
131.08580	2.5
133.06490	1.4
133.10130	72.1
134.10471	1.4
135.11694	3.1
137.05951	2.3
137.09607	7.9
137.53198	0.7
138.06815	0.7
141.06995	0.8
142.62601	0.6
143.08574	7.6
145.06467	1.6
145.10132	1.7
146.07253	1.8
147.08044	43.6
147.11705	1.5
151.11194	4.8
155.08492	0.8
157.05026	0.8
161.05945	1.0
161.09627	29.4
161.13290	0.7
163.07619	1.2
163.11227	2.1
165.09114	36.8
169.10149	2.0
171.08052	1.0
177.16307	0.8
179.07259	0.7
179.10661	20.7
183.11740	1.3
189.09106	27.6
193.12273	2.3
197.13364	1.0
199.52902	0.6
203.17935	1.5
207.10170	16.1
210.92133	0.7
218.71564	0.6
221.08353	1.0
221.11723	22.2
221.15131	0.8
221.19051	1.4
222.11922	0.6
225.11143	0.7
239.06912	0.9
239.08963	6.8
239.12476	3.3
239.18056	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89358	1.4
53.35886	1.3
55.01883	1.9
55.05500	6.8
56.96569	9.9
57.07057	3.9
59.04995	2.0
67.05519	11.2
69.03443	7.2
69.07081	11.2
69.31036	15.4
71.04990	4.1
71.08634	2.2
73.06548	5.7
75.69492	1.4
79.05489	8.4
81.07063	25.1
83.04980	3.3
83.08604	4.1
85.06519	1.9
89.06030	1.8
91.05485	20.6
93.07050	18.8
95.04989	3.0
95.08616	18.8
97.02896	14.7
97.10163	1.6
97.30659	1.6
99.04469	3.6
99.08105	1.7
99.16073	1.4
101.06047	2.4
103.05443	1.8
105.07036	40.4
107.04933	2.2
107.08617	15.0
109.06516	6.7
109.10163	10.5
111.04447	3.6
111.08132	2.6
117.07028	5.3
119.08589	100.0
121.06496	4.5
121.10157	11.5
123.08073	6.9
123.11713	5.1
128.06206	4.0
129.07014	1.9
130.99991	2.2
131.08546	4.3
133.06487	3.2
133.10139	73.6
135.08057	1.7
135.11678	4.5
137.06023	2.0
137.09616	7.7
137.13211	1.8
141.06999	4.5
142.07794	2.4
143.06296	1.4
143.08577	10.0
145.10141	5.9
147.08057	37.3
147.11682	13.3
149.01134	2.5
151.11140	4.5
153.06924	3.4
154.07771	2.5
155.08569	10.2
156.09384	1.7
157.10132	6.3
159.11705	2.4
161.09622	28.5
161.13251	2.4
163.11183	3.7
163.14828	2.0
165.07010	2.8
165.09125	35.5
167.08641	3.5
168.09357	4.5
169.10152	29.6
171.08000	2.0
171.11688	5.1
173.95358	1.6
179.08540	2.6
179.10690	18.5
180.09247	1.5
181.10130	8.1
182.10938	8.3
183.08107	1.7
183.11713	43.5
185.13242	2.1
189.09108	20.8
193.12259	2.6
195.11684	10.1
196.09483	1.8
196.12491	3.6
197.13289	29.9
198.18529	1.9
198.59752	2.3
203.10684	1.9
203.17957	12.2
205.09886	6.2
206.11035	1.8
207.10179	13.6
207.60185	3.5
209.13206	7.5
210.14069	8.8
211.11143	2.2
211.14821	10.6
216.60677	14.9
219.10983	3.3
221.11589	20.9
221.13277	3.5
221.19026	5.4
224.12033	2.8
224.15616	6.4
228.11487	6.8
239.08978	5.0
239.14430	21.8
239.17972	94.2
239.62105	2.7
240.18248	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01876	1.4
55.05516	3.2
56.96563	1.5
57.03434	0.5
57.07075	3.4
59.04993	0.5
59.64901	0.2
59.91859	0.3
60.40000	0.2
65.03924	0.4
67.05172	0.3
67.05508	4.6
67.73375	0.3
69.03428	2.2
69.07070	4.9
70.94295	0.8
71.08633	2.2
73.06546	1.4
79.05493	3.0
81.06578	0.5
81.07058	8.6
83.04959	0.9
83.08621	2.0
85.10175	1.0
90.50347	0.3
91.05483	6.9
93.07052	5.4
95.04982	1.5
95.08609	7.3
97.02905	4.1
97.10156	0.5
102.96927	0.3
103.05439	0.6
105.07033	11.7
107.04948	0.6
107.08588	3.5
109.06521	2.0
109.10160	2.8
110.07936	0.3
111.04428	1.0
112.21307	0.3
114.96915	0.3
115.05421	0.5
117.07013	2.1
119.04910	0.3
119.08585	30.0
121.06499	1.2
121.10140	2.3
123.04456	0.3
123.08076	2.2
123.11722	1.3
128.06175	1.3
129.06999	2.2
130.07759	0.6
131.00027	2.0
131.08575	2.2
133.06468	0.5
133.10132	22.3
134.10513	0.3
135.08051	0.3
135.11665	1.0
137.09615	2.1
137.48274	0.3
139.40430	0.3
141.06989	4.9
142.07761	2.5
143.08563	5.7
144.09406	0.3
145.06474	0.5
145.09041	0.5
145.10132	6.6
146.07239	0.8
147.08052	12.2
147.11694	0.5
148.08762	0.3
149.01082	0.6
151.11191	1.1
152.06293	0.7
153.06996	2.5
154.01630	0.8
154.07762	2.8
155.08557	15.7
156.09355	2.3
157.06508	0.3
157.10126	6.5
159.11728	2.2
161.09630	7.2
161.13324	0.3
163.11201	0.9
165.06998	3.3
165.09120	8.5
166.07788	0.8
167.08568	5.0
168.09354	7.6
169.06575	1.0
169.10127	35.8
170.10820	1.1
171.08037	1.4
171.11685	4.4
172.02710	0.3
173.13231	0.5
178.07838	0.5
179.08575	3.5
179.10678	5.0
180.09323	2.5
181.06511	0.8
181.10126	8.4
182.07314	0.5
182.10909	8.8
183.08208	4.4
183.11697	45.7
184.08829	0.4
184.12460	2.0
185.09608	0.3
185.13206	1.3
189.09117	6.6
191.08543	1.2
192.09297	1.2
193.10138	2.1
193.12215	0.8
194.10931	0.7
195.08066	0.9
195.11700	14.5
196.09093	0.6
196.12471	6.6
197.09647	5.2
197.13261	38.4
198.13979	0.8
205.09935	1.8
206.10898	2.8
207.10165	4.0
207.11838	0.5
207.60109	0.5
209.09717	1.7
209.13258	7.9
210.10422	1.0
210.14044	7.3
211.11302	2.7
211.14819	11.6
214.10381	0.6
216.01701	0.4
216.60617	2.5
219.10957	0.7
221.11652	4.1
221.13298	8.9
222.13789	0.4
223.11240	0.4
224.12125	2.5
224.15605	8.0
228.11523	0.9
237.16312	0.4
239.14313	39.8
239.17966	100.0
239.62346	0.3
240.14613	0.9
240.18324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46510	1.0
53.03946	1.1
54.18823	1.3
55.01847	1.0
55.05517	9.9
56.95461	0.9
56.96558	3.9
57.03427	3.6
57.07075	16.0
59.05007	13.0
67.05172	1.7
67.05506	24.7
69.03422	3.6
69.07069	8.0
69.54220	8.3
71.04996	11.6
71.08612	3.2
73.06565	1.0
79.05489	6.8
81.07058	55.0
83.05003	2.1
83.08619	12.0
84.08138	1.4
85.02898	4.9
85.06544	100.0
85.10173	1.7
87.04465	3.0
89.06034	78.2
91.05468	4.3
93.07034	2.1
95.04981	2.6
95.08606	13.2
97.02908	2.8
97.06498	1.9
97.10165	4.5
98.20696	1.7
98.97570	2.5
98.98479	1.2
99.04451	1.6
99.08076	1.7
104.70187	1.0
105.07051	2.9
106.77116	0.9
107.07052	4.8
107.08581	2.4
109.06475	1.8
109.10143	5.7
111.04502	1.4
115.03910	1.3
116.98665	2.3
119.04954	2.4
119.07662	0.9
119.08560	2.0
121.06503	1.0
121.10147	2.5
123.04471	1.3
123.08091	1.6
123.11709	51.0
130.08617	1.5
132.04453	1.8
133.06497	1.3
133.08606	31.3
133.10150	2.2
134.99699	1.4
135.08087	1.6
137.05930	1.6
137.09644	1.7
141.12749	27.3
141.98207	1.0
147.04391	7.5
147.11615	1.3
151.09607	2.3
160.53563	1.1
161.01312	1.2
161.13144	1.0
163.03862	1.7
177.00690	1.5
177.11200	3.3
179.10727	1.7
193.06886	1.6
195.12399	1.3
197.10347	1.2
209.05586	1.2
219.06987	5.9
228.07532	2.0
237.02960	1.7
239.06810	1.3
239.08842	16.3
239.12645	1.4
239.14841	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	239.0914
Annotation	1-O-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
55.05497	0.8
56.96558	0.4
57.07070	0.8
59.98448	0.4
62.86281	0.3
65.03923	0.5
67.05497	1.2
69.07065	1.0
69.57394	3.1
70.90455	0.4
71.04990	0.8
71.08608	0.4
79.05485	0.9
81.07059	2.4
81.07453	0.4
83.04968	0.3
91.05486	9.8
95.08617	1.3
98.97575	0.6
106.57047	0.4
109.10136	0.9
117.05777	0.7
119.04948	23.0
119.08563	0.7
119.37629	0.4
132.25027	0.4
133.06569	0.4
133.10109	0.6
141.04805	1.8
147.04411	100.0
148.04778	1.0
152.02597	1.1
153.12668	0.4
158.08313	0.4
158.52753	0.4
169.10225	0.5
180.02097	5.1
193.05304	1.2
195.63393	0.4
197.13213	0.4
205.14458	0.5
221.08119	0.4
221.11769	0.4
222.03197	4.2
239.05748	0.5
239.06705	0.5
239.08865	2.8
239.12468	0.5
239.18068	0.5
245.05074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0912
Annotation	7-Hydroxy-3-(2,3-dihydroxybutyl)-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
54.17540	0.5
55.01871	2.4
55.05508	2.5
55.30392	0.7
57.03436	1.9
57.07074	1.3
65.03951	1.0
67.05497	4.3
68.05831	0.5
68.99793	1.4
69.03427	1.1
69.07064	2.5
69.30628	4.5
69.31041	2.0
71.04990	9.2
71.08654	0.7
77.74255	0.6
79.05487	3.8
81.03415	2.2
81.07053	5.3
83.04989	3.0
83.08612	1.0
85.02907	11.1
85.06526	1.3
87.77254	0.6
89.06003	1.2
90.92869	0.5
91.05473	14.2
93.07037	3.8
95.04960	4.6
95.08605	6.4
97.06516	1.3
97.10163	1.4
98.97601	1.0
99.04488	0.8
99.08120	0.8
105.06351	0.9
105.07018	4.3
107.04952	4.1
107.08589	1.8
109.02882	3.6
109.06504	3.2
109.10161	1.7
111.04454	0.8
113.06005	1.5
114.34100	0.6
116.98598	0.7
117.07005	2.2
119.04945	2.9
119.08578	10.8
121.02885	1.3
121.06479	1.0
121.10142	1.9
123.04420	2.7
123.08016	1.7
125.09625	1.1
127.03959	3.3
127.85831	0.6
128.06230	1.1
129.07005	4.8
131.08560	1.7
132.05725	3.0
133.06459	3.6
133.10110	1.8
134.03650	2.0
135.04440	0.7
135.07954	0.7
137.05975	2.7
137.09634	1.1
145.06502	1.3
147.04405	81.7
147.08043	32.4
147.11713	0.8
148.04736	0.9
149.06041	1.0
149.85986	0.6
151.03896	7.9
151.07533	1.7
157.06502	2.9
160.05197	1.9
161.06006	1.4
161.13264	2.3
163.03897	1.6
164.98050	0.6
165.05486	4.5
165.09030	0.8
169.04977	2.0
169.10083	0.8
175.07542	59.9
175.14767	1.4
176.07887	0.7
177.05400	3.1
178.06201	0.9
179.07053	1.8
179.14326	0.9
183.59489	0.6
185.06020	1.5
185.13303	0.7
193.08629	5.6
203.07022	52.7
203.14311	1.7
204.07330	0.7
221.08086	100.0
221.15398	2.1
221.32397	0.6
222.08391	1.1
225.54286	0.6
239.09120	91.9
239.16438	2.7
240.09424	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.2165
Annotation	(+)-Isoaminobisabolenol b
Peak:m/z	Relative Intensity
53.03939	1.1
55.05511	9.5
56.96573	1.6
57.07078	3.9
59.05015	1.0
60.06747	0.7
60.86110	0.7
62.88509	0.6
65.03966	0.9
66.04727	0.7
67.05170	1.1
67.05504	17.5
68.04995	0.9
69.07068	13.7
70.06589	1.4
71.04996	2.8
71.56739	0.7
79.05490	10.6
81.07056	94.4
82.07398	1.2
83.04974	2.0
83.08620	5.2
84.08144	0.8
86.09713	2.8
91.05479	11.2
93.07043	18.7
94.07401	1.1
95.04983	2.5
95.08606	100.0
96.08943	1.3
97.02895	2.1
97.06528	3.1
97.10184	3.8
98.97592	1.6
105.07032	28.2
106.07328	1.1
107.08591	37.3
109.06558	0.8
109.10157	42.1
110.06789	0.9
110.10497	0.6
111.11724	0.9
113.09638	1.1
116.98651	1.9
119.08580	38.6
120.08109	2.0
121.06526	1.5
121.10139	14.4
123.08057	1.4
123.11707	20.7
124.11223	1.1
124.12047	1.1
125.09699	0.8
131.08612	1.3
133.10130	27.0
134.10513	0.9
134.99681	1.9
135.08032	0.9
135.11703	11.2
137.13255	2.8
139.11195	1.7
141.12723	2.3
143.08487	0.8
145.10170	2.2
146.99561	0.8
147.11687	42.5
149.13264	1.1
151.07552	1.0
151.11089	1.0
158.99628	1.8
159.11626	1.1
161.13281	8.4
163.14812	1.4
175.14804	3.3
177.00740	1.6
177.05568	1.0
183.04138	1.0
191.02257	0.9
192.10155	1.3
193.19539	1.9
194.09367	1.2
203.17958	62.8
204.18239	1.1
205.56398	0.7
210.02187	2.0
217.07170	1.3
220.20659	2.7
221.18990	14.7
238.01660	1.2
238.14986	1.4
238.17865	1.9
238.21651	56.6
239.08939	1.8
239.16406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
55.05501	18.6
57.03452	7.8
57.07077	5.9
64.51991	5.5
67.05513	33.3
69.07072	25.4
71.05015	9.9
71.58817	7.2
79.05493	31.1
81.07056	43.0
83.04982	12.2
83.08602	7.4
85.06546	9.2
91.05471	32.4
93.07043	44.7
95.04958	7.9
95.08616	38.4
96.05753	10.0
97.06562	5.6
98.40958	5.1
105.07056	24.6
107.08595	100.0
109.06546	6.0
109.10145	18.1
111.04443	10.0
112.08733	5.0
117.07018	9.2
119.08575	21.3
119.23806	4.9
121.10158	21.2
123.11680	10.8
131.08582	10.7
133.10132	18.1
135.11716	35.7
136.08794	7.8
145.10114	18.1
145.41582	5.1
147.11658	5.6
149.13293	10.5
151.78981	5.3
153.09125	37.9
159.11696	21.3
161.13281	10.8
163.11215	7.1
175.14842	11.6
177.12727	10.1
191.18031	25.9
201.16385	25.2
219.17554	16.5
223.18053	5.5
230.82648	4.8
237.18571	25.4
242.05919	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	237.1849
Annotation	Dehydronerol isovalerate
Peak:m/z	Relative Intensity
51.73544	1.4
55.05511	5.5
55.93542	2.6
57.07078	56.1
67.05511	9.5
68.65632	1.6
69.07076	11.3
69.69847	12.7
70.65948	1.4
70.95866	11.7
71.04992	2.1
72.93784	6.9
76.18254	1.7
79.05498	16.6
81.07059	21.1
83.04977	6.6
83.08626	2.6
85.06561	8.7
88.96887	6.5
91.05457	3.7
93.07047	48.2
95.04982	3.3
95.08611	18.1
97.06546	2.4
98.20828	2.2
99.04462	1.6
101.06025	3.7
105.07026	3.8
107.08600	34.0
108.95848	2.1
109.10147	6.7
111.98491	23.0
112.41770	1.7
113.96384	10.4
119.08584	4.8
121.10125	3.7
121.84588	1.7
123.11692	3.6
129.99519	14.8
131.08640	2.1
131.97446	9.2
133.10179	2.6
135.11690	100.0
136.22113	1.5
137.13271	6.6
145.10149	5.0
153.01117	5.8
154.99115	2.0
159.11719	6.0
161.13228	3.4
165.07036	1.8
172.98909	2.2
173.13307	1.8
181.10037	1.6
191.00041	5.0
191.14365	1.5
193.10074	2.7
195.11656	2.5
196.00528	8.5
201.16434	3.4
207.11656	1.8
209.13348	2.3
214.01616	18.2
219.17465	5.3
237.03191	8.6
237.12787	2.9
237.16379	8.4
237.18506	16.8
237.22076	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	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.02386	1.6
53.00331	1.4
53.03941	2.6
55.01873	4.1
55.05518	16.2
56.96570	7.7
57.07074	6.5
59.04996	7.9
65.03949	1.9
67.05509	23.8
68.65446	1.6
69.03431	5.8
69.07072	10.7
70.73101	3.0
70.73476	3.3
71.04990	29.7
75.47917	1.6
79.05493	20.0
81.07060	100.0
83.04979	5.1
83.08635	4.2
85.02897	1.8
85.06551	6.6
86.81568	1.5
91.05487	24.1
93.07047	98.4
95.04979	9.4
95.08610	40.2
97.06544	7.2
97.10196	2.2
97.86185	1.5
98.97591	9.8
99.04482	2.0
99.08102	15.7
101.05984	1.8
102.63806	1.6
105.07036	37.0
107.04968	12.9
107.08592	34.1
109.06532	11.5
109.10159	24.9
110.97598	2.8
111.08093	5.9
111.22930	1.5
113.06023	6.0
113.09641	3.0
115.05461	9.6
115.07594	5.3
116.06251	2.3
116.98626	5.7
117.06992	3.1
119.04969	4.1
119.08588	27.1
121.06511	3.4
121.10154	20.6
123.08097	4.6
123.11716	41.2
125.09615	7.3
127.07592	9.6
127.11177	11.7
128.98643	3.4
129.07066	2.1
131.04948	6.6
131.08594	11.5
133.10132	57.2
135.08090	5.0
135.11684	14.7
137.06003	1.6
137.09665	4.8
139.07631	1.9
139.11180	5.6
143.10635	2.1
144.05734	9.0
145.10103	15.6
146.99678	3.1
147.11693	12.8
149.06012	6.9
149.09641	4.3
149.13292	6.6
151.11194	41.5
153.12706	1.5
154.03703	1.6
155.10661	3.6
158.99692	2.7
159.08093	2.6
159.11702	16.4
161.05998	5.3
161.13292	11.0
163.02802	1.9
163.04417	8.2
163.11165	3.1
165.07063	6.5
165.12759	2.4
166.07851	4.9
173.13310	6.2
175.14909	2.7
177.00748	4.5
177.12791	5.1
177.16382	2.9
179.14336	1.5
181.06514	7.8
181.10133	3.5
184.91289	1.7
189.16374	2.7
190.07790	5.0
190.98656	6.2
191.07104	3.3
191.08604	12.7
191.10458	2.4
191.14342	5.2
191.17989	6.3
194.07281	17.2
195.08069	3.4
201.09122	2.8
201.12808	2.0
201.16441	19.9
208.99728	5.1
209.09631	14.2
218.07272	2.1
219.08070	13.1
219.09897	2.8
219.14064	3.2
219.17459	48.0
228.10118	2.2
237.09111	18.2
237.11284	9.6
237.14856	6.2
237.18520	43.0
237.22156	3.4
238.09610	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
55.01862	1.8
55.05303	1.3
55.05516	14.0
57.07072	4.8
59.05000	2.7
60.64780	1.2
64.33340	1.3
65.03908	1.2
65.42107	1.2
67.05505	23.7
69.07066	8.0
70.34531	2.4
70.34915	2.9
71.08627	1.5
79.05499	7.6
79.55882	1.2
81.07060	43.7
82.56462	1.2
83.04979	5.0
83.08620	5.6
85.06554	4.4
88.30796	1.2
91.05468	2.5
93.07053	15.2
95.08621	20.5
97.06548	2.6
99.04444	2.2
101.06026	6.5
105.07026	4.7
107.08606	17.5
109.06502	1.4
109.10160	100.0
111.08088	1.4
119.08571	7.6
121.09310	2.6
121.10154	47.7
121.11036	2.3
123.08112	1.5
123.11713	73.7
127.07545	3.9
131.08583	2.5
135.11653	6.2
137.13261	5.1
141.09090	1.6
145.10144	4.3
147.11719	1.6
149.09639	6.4
153.09079	1.7
159.11700	3.4
163.11194	17.8
167.10693	6.7
177.12756	1.9
177.16437	5.2
181.12241	29.5
201.16402	4.4
219.17477	5.8
237.16451	1.8
237.18518	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	237.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.05497	2.2
57.07069	1.1
64.26701	0.5
67.05505	4.4
69.03430	4.0
69.07069	5.7
69.92696	3.7
71.04962	0.8
71.54126	0.5
79.05485	4.4
81.03423	1.0
81.07059	10.6
82.47200	0.6
83.04978	2.7
83.08626	1.6
85.06541	1.7
86.65083	0.6
91.05490	3.1
93.07053	11.2
95.04954	1.9
95.08617	8.7
97.02888	1.3
97.06517	1.8
98.21452	0.7
105.07036	6.7
107.04957	1.2
107.08597	9.4
109.06531	1.8
109.10162	6.5
111.04406	0.7
111.08096	2.1
115.05430	0.9
117.07014	2.0
119.08598	6.0
121.06499	1.7
121.10145	6.9
123.08072	2.4
123.11713	3.5
125.09678	1.2
129.06995	0.9
131.08556	3.0
133.10126	5.4
135.08076	2.5
135.11714	6.7
137.09634	1.4
141.06970	1.4
142.07758	4.9
143.08568	1.6
145.10126	6.4
147.11688	0.7
149.09633	0.8
149.13281	2.6
152.06226	0.8
153.07016	1.9
155.08572	4.0
156.09332	0.7
157.10138	35.9
159.11708	6.8
161.13277	9.9
163.07591	0.7
163.11217	1.9
165.07001	10.8
166.07794	8.9
167.08575	9.3
168.09206	1.0
169.10150	4.3
171.11662	1.3
173.13330	2.0
175.14833	1.7
177.12744	0.8
177.16411	1.4
178.07677	1.1
179.08556	10.9
180.09346	7.9
181.10127	56.8
182.10899	3.1
183.11711	3.0
189.16423	0.6
191.14345	0.8
191.18048	1.0
193.10158	12.1
194.10942	7.4
195.11702	38.2
196.12469	12.2
201.16386	5.8
207.11674	10.9
208.12476	5.6
209.13261	29.6
219.13953	0.9
219.17476	8.3
222.14038	10.3
237.07567	1.4
237.12595	2.6
237.16412	100.0
237.18365	6.1
238.16785	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.48847	4.1
53.03935	6.0
55.01863	7.9
55.05521	20.8
56.96563	4.7
57.03430	5.7
57.07070	12.4
59.04998	5.6
61.99859	6.3
63.06556	3.8
67.05505	43.9
69.07066	39.1
70.71279	7.4
71.04983	17.6
71.08643	5.4
79.05501	36.2
81.03400	7.5
81.07058	80.8
83.04961	13.8
83.08599	15.5
85.06535	11.7
91.05461	33.4
93.07042	90.9
95.04967	7.7
95.08613	100.0
97.06554	13.0
99.04439	9.7
99.08048	5.4
105.07031	60.2
107.04927	6.2
107.08595	79.4
109.06523	13.3
109.10155	73.3
111.08077	19.9
117.07008	24.1
119.08593	46.9
121.06548	8.0
121.10141	65.2
123.11688	21.8
125.09609	10.1
127.11193	9.0
131.08563	27.7
133.10100	42.1
135.08057	7.8
135.11699	57.7
137.09610	7.7
137.13316	4.8
145.06459	5.9
145.10098	38.8
147.11671	14.3
149.09605	7.2
149.13274	55.1
151.11191	5.9
157.10156	10.9
159.11714	40.0
161.13264	34.9
163.07603	5.4
163.11165	9.8
165.06929	4.5
173.13275	16.0
175.14835	26.4
177.12784	12.3
177.16435	6.7
179.14223	4.4
181.10104	13.9
181.12245	5.9
183.11700	5.0
189.16417	11.6
191.07057	14.3
191.14342	6.1
191.17941	26.6
192.06435	7.6
193.00650	4.4
193.10168	7.4
195.11681	13.2
201.12744	5.5
201.16388	63.9
207.11594	5.8
209.08052	12.5
209.13237	8.8
216.13153	8.9
219.06535	10.3
219.13956	7.3
219.17436	79.1
222.13974	6.8
225.13785	26.3
225.63831	8.8
236.64815	5.4
237.07590	18.1
237.12752	8.7
237.16417	21.1
237.18460	55.6
237.22049	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	237.1849
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
53.03957	1.4
55.01862	1.8
55.05514	9.7
56.97098	1.4
57.07077	17.8
66.31864	1.5
67.05506	22.0
69.03428	1.5
69.07068	50.7
69.27592	1.3
70.95858	12.0
71.04981	2.0
71.15454	1.4
71.15769	1.9
72.93789	5.4
79.05499	7.6
81.07060	100.0
83.04992	14.7
85.06539	1.8
88.28053	1.5
88.96899	6.1
90.94818	2.3
91.05472	2.7
93.07063	8.9
95.08611	94.9
97.06498	1.5
101.06023	35.3
105.07052	3.4
107.08598	4.0
109.10176	15.1
111.98469	15.6
113.96413	8.7
119.08606	2.5
119.43051	1.6
121.10133	3.7
123.11687	4.4
129.99486	12.0
131.97435	4.8
133.10146	2.8
135.11726	2.7
135.25543	1.4
137.13258	73.8
145.10071	3.0
153.01096	2.2
154.99071	2.3
159.11700	3.0
161.13235	2.2
181.10133	2.1
189.91757	1.4
191.00014	8.7
193.10132	2.1
193.45341	1.8
195.11700	3.5
196.00557	10.5
199.70235	1.4
201.16397	4.8
207.11650	2.9
209.11604	2.0
214.01666	14.1
219.13806	1.4
219.17445	4.6
237.03210	8.3
237.12854	2.0
237.16341	10.2
237.18517	6.1
237.22209	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	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03944	4.9
55.01857	3.6
55.05502	9.2
56.96561	5.3
57.07060	7.8
60.25211	2.4
65.03938	2.5
67.05503	49.2
69.07057	21.6
69.40773	24.7
71.04977	6.1
79.05485	18.7
81.06583	3.3
81.07054	47.4
83.04980	13.2
83.08608	8.8
85.06534	8.3
91.05479	33.3
93.07042	100.0
95.04945	11.0
95.08604	57.3
97.06525	10.1
105.07030	36.0
107.08598	44.2
109.06538	11.6
109.10146	42.2
111.08091	13.6
112.60345	2.8
113.09639	5.3
117.07008	10.4
119.04934	5.7
119.08579	45.1
121.06531	2.6
121.10147	31.9
123.08164	4.2
123.11691	16.0
125.09626	7.3
127.11192	5.4
131.08560	17.8
133.10126	26.1
135.11687	23.6
137.09642	5.7
137.13232	6.7
139.11176	5.2
145.10123	31.4
147.11713	5.6
149.09543	3.7
149.13240	6.5
151.11163	7.1
153.12750	2.6
158.07574	2.5
159.11696	32.9
161.13242	50.8
163.11174	5.4
167.08539	4.3
173.13266	9.1
175.14828	10.4
177.16360	11.0
179.08563	3.4
179.14297	3.5
180.09361	3.8
180.35637	2.4
181.10049	5.9
191.17926	8.7
192.06558	4.3
193.10152	9.0
194.10840	4.2
195.11697	9.8
195.13487	2.2
201.16374	55.5
201.85930	2.6
207.11739	8.8
209.13266	8.2
219.17429	45.2
222.14021	4.6
237.12968	12.4
237.16362	18.9
237.18495	32.2
237.22206	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
55.05506	9.1
57.07081	7.7
59.05009	1.3
67.05508	24.5
67.05841	0.8
69.03443	1.4
69.07072	14.8
71.04645	2.1
71.05001	25.6
71.08621	5.6
71.60606	2.2
75.28062	1.2
75.28495	1.1
79.05491	4.7
81.07060	24.9
83.04969	4.7
83.08620	6.4
85.06549	2.9
85.08560	1.2
88.96873	1.3
91.05499	4.7
93.07026	8.7
95.08622	14.5
97.06567	2.0
97.10208	2.5
99.04485	2.6
101.06033	2.8
105.07024	17.3
107.08613	12.4
109.10160	100.0
111.04448	1.4
111.08090	3.3
111.98463	2.1
113.96414	1.7
117.07014	4.7
119.08595	20.2
119.63284	1.4
121.10152	18.9
123.08067	2.2
123.11720	21.3
125.09616	2.3
127.11234	6.8
129.06943	1.8
129.99577	2.1
130.07732	1.6
131.08577	10.9
133.10129	4.9
135.08127	2.0
135.11731	6.7
145.10132	38.3
149.09575	1.8
149.13263	3.3
157.10077	2.7
159.11693	26.4
161.13319	4.8
163.11127	6.3
163.14841	2.0
166.07779	1.5
167.10712	1.5
173.13283	2.8
175.14827	5.6
177.16391	5.0
179.08521	1.9
179.14380	1.9
180.09314	2.4
181.10124	4.9
181.12288	6.2
191.18004	4.9
193.10150	2.5
195.11732	5.1
201.16402	17.2
207.11667	2.3
208.12463	3.1
209.11597	2.5
209.13347	3.1
214.01807	1.6
219.10147	1.7
219.13876	2.4
219.17470	14.4
219.21016	1.7
222.13965	1.7
237.12811	2.7
237.16400	10.3
237.18518	21.0
237.20963	1.4
237.22153	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	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.05508	15.2
57.07071	12.4
57.53161	3.2
58.47956	3.1
59.05009	3.3
59.97284	2.8
67.05505	30.4
69.03408	3.9
69.07079	24.5
69.79220	3.4
70.15822	16.9
71.04990	11.0
79.05500	18.1
81.07060	48.8
83.04984	9.5
83.08606	12.1
85.06544	73.7
91.05484	20.9
93.07047	43.0
95.08050	5.2
95.08607	60.4
97.06511	5.8
97.10156	6.7
97.29629	3.7
105.07032	44.9
107.08585	47.5
109.06501	8.8
109.10157	33.2
109.59420	3.4
111.08073	7.9
112.60215	3.2
113.09640	45.5
117.07028	11.7
119.08579	31.6
121.10133	44.0
123.11708	8.3
129.99469	3.8
131.08595	19.7
133.10123	22.7
135.11694	36.9
137.09700	3.4
137.81874	3.6
145.10115	39.4
147.11678	14.4
149.09596	6.8
149.13277	10.7
151.11081	3.6
159.11700	34.4
161.13274	35.7
163.11197	14.0
173.13278	12.2
175.14883	7.4
177.12793	5.5
177.16455	5.4
179.08563	4.2
189.16386	3.7
191.17938	34.3
193.10144	10.0
195.11713	11.0
201.16373	56.8
207.11655	13.5
209.13301	8.4
219.17439	53.8
222.14055	12.8
237.12683	10.6
237.16368	36.1
237.18520	100.0
237.22124	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	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.14381	1.3
53.03938	3.8
55.01862	3.6
55.05518	8.0
56.96555	1.7
57.07063	3.3
59.04996	2.9
67.05510	12.0
69.03435	8.8
69.07065	6.8
71.04644	1.6
71.04998	15.3
71.08618	1.7
71.59477	1.3
79.05498	16.1
81.07063	61.6
83.04969	5.2
83.08616	2.9
85.02896	2.0
85.06525	3.5
89.30313	1.3
91.05498	8.7
93.07044	16.7
95.04977	9.2
95.08615	14.2
97.02896	100.0
97.06530	4.4
97.10150	1.7
98.03222	1.7
98.97591	2.6
99.08098	29.7
105.03397	26.9
105.07021	15.6
107.04971	3.0
107.08586	18.5
109.06519	13.9
109.10161	21.8
111.08064	3.7
116.98608	1.7
117.07040	1.5
119.08590	10.6
121.06512	2.6
121.10153	10.4
123.08086	3.2
123.11722	7.9
125.09650	5.5
127.07576	15.4
127.11191	12.5
131.00124	2.1
131.08560	6.4
133.10135	26.5
135.08049	1.4
135.11665	7.6
137.09586	2.6
139.11198	1.6
143.10675	5.0
145.10123	10.9
147.11694	7.2
149.09596	2.2
149.13271	4.2
151.11198	20.9
155.10666	5.5
159.11720	8.6
160.07506	1.4
161.13321	7.0
163.11145	2.4
165.12779	2.9
169.12231	3.3
171.61230	1.2
173.13237	3.3
176.23003	1.3
177.05292	1.2
177.12767	3.9
177.16423	2.5
183.34155	1.0
191.14345	1.2
201.16336	7.0
219.13873	2.9
219.17429	16.0
237.07115	2.1
237.14890	6.9
237.18544	13.2
237.22110	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	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03939	4.3
55.01872	6.6
55.05515	26.8
57.07068	14.7
65.03935	5.0
66.04726	2.9
67.05505	49.0
69.03431	35.2
69.06723	5.3
69.07070	74.8
71.04975	15.9
71.08620	3.6
79.05497	38.7
81.07056	95.5
83.04990	28.8
83.08617	14.2
85.06534	17.5
91.05480	27.6
93.07048	93.0
95.04957	12.5
95.08611	100.0
96.63669	3.5
97.06541	23.2
97.10204	4.0
105.03355	5.2
105.07030	62.2
107.05006	5.0
107.08599	93.1
109.06521	14.0
109.10160	59.1
111.04444	7.3
111.08090	16.3
113.05995	4.8
117.07006	18.7
119.08595	52.5
121.06477	7.2
121.10146	67.3
123.08077	18.5
123.11720	29.4
125.09656	4.8
129.06978	4.4
131.08543	28.1
133.10158	36.9
135.08087	10.7
135.11693	64.0
137.09637	5.7
140.41809	3.1
143.08525	4.7
145.10124	46.9
147.11694	11.5
149.05988	3.6
149.09615	14.6
149.13216	21.5
151.11136	3.6
153.09079	4.8
159.11693	52.6
161.13277	60.9
163.11185	25.4
163.14796	3.8
173.13283	13.2
175.14827	14.6
177.12801	7.8
177.16388	15.1
179.14340	7.4
181.10172	4.7
181.12325	3.2
189.16414	5.9
191.14281	3.8
191.17972	29.2
195.11745	4.4
201.16385	66.0
219.13896	9.1
219.17433	75.3
237.07469	4.6
237.12860	4.8
237.14775	10.1
237.16786	2.9
237.18527	57.2
237.22142	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	237.1486
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03941	5.5
55.01874	13.7
55.05516	34.4
56.96562	11.5
57.03425	6.1
57.07058	9.3
59.04995	5.7
60.08172	2.0
65.03923	4.0
67.05509	50.5
69.03425	12.4
69.07073	35.4
71.04999	100.0
71.08627	4.3
71.59337	4.3
73.02912	3.8
73.06521	3.0
78.31465	2.4
79.05070	3.8
79.05499	63.3
80.12685	2.2
81.03413	11.5
81.07064	88.1
83.00745	2.7
83.04994	23.6
83.08607	10.0
85.02915	12.8
85.06546	16.9
87.04463	2.5
91.05488	72.3
91.06069	3.7
92.05777	2.4
93.06482	5.0
93.07055	90.7
95.04990	21.9
95.08615	53.2
97.02902	14.9
97.06529	29.4
97.10143	8.1
98.03260	1.9
98.97569	9.6
99.04420	4.8
99.08107	11.1
101.02364	2.5
101.06002	2.4
103.05484	5.7
105.03395	5.1
105.07041	63.4
107.04977	25.7
107.08603	56.2
109.02850	4.5
109.06528	23.0
109.10156	31.3
111.04459	4.6
111.08122	11.5
111.88787	2.3
113.02389	3.9
113.06015	5.1
113.09618	3.5
115.03951	2.9
115.05447	4.3
115.07600	2.4
116.98628	10.9
117.06336	3.0
117.07033	36.4
119.08591	44.7
121.06521	15.0
121.10151	38.6
123.08073	14.7
123.11712	21.9
125.05971	4.2
125.09650	10.7
127.07518	5.7
127.11179	10.0
129.07051	12.9
131.00150	3.3
131.04948	3.0
131.08578	65.0
133.06456	5.6
133.10143	55.9
134.99652	8.5
135.08067	28.5
135.10846	2.2
135.11716	26.4
137.05894	2.6
137.09651	11.0
139.07571	3.0
139.11160	4.4
141.06978	8.3
143.00114	2.8
143.08612	6.5
143.10646	4.5
145.10138	39.4
147.07991	5.8
147.11700	23.4
149.01210	3.3
149.05956	9.5
149.09602	12.3
149.13272	10.3
151.07617	3.0
151.11185	27.6
153.09076	5.7
153.12718	4.0
155.08525	6.8
155.10703	4.3
155.84335	2.3
157.10129	24.7
158.99611	4.0
159.08066	6.2
159.11716	49.8
161.05978	5.9
161.09607	4.1
161.13272	18.9
163.04039	2.3
163.07535	8.4
163.11157	10.2
163.14847	4.2
167.14345	2.4
168.09302	3.5
169.12239	2.8
171.11697	3.4
173.01207	3.2
173.09642	4.1
173.13255	32.2
175.04111	2.7
175.11165	9.1
175.14821	5.5
176.96945	2.5
177.00705	6.5
177.09154	5.1
177.12743	23.3
177.16426	5.0
181.08580	3.6
181.10054	3.3
183.11679	19.7
189.12711	4.6
189.16338	3.4
191.02148	4.9
191.06955	4.5
191.08575	2.3
191.10645	4.7
191.14311	20.5
191.17923	4.3
193.12238	7.6
194.06993	8.3
195.11679	3.9
201.12773	31.4
201.16415	18.0
203.07516	8.5
207.13776	5.2
219.06395	2.2
219.10010	6.3
219.13849	56.2
219.17406	38.7
219.20995	3.2
224.08275	2.4
237.07085	8.1
237.09042	6.2
237.11009	13.0
237.14819	83.4
237.18530	51.8
237.22044	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	237.1485
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03935	5.2
55.01876	5.7
55.05510	23.5
56.96573	6.0
56.96824	1.5
57.03423	4.3
57.07059	3.8
59.04997	8.1
61.02917	1.1
65.03952	1.3
67.05502	34.4
69.03426	8.9
69.07061	10.2
70.23033	2.9
70.23449	1.9
71.04986	18.8
73.02912	2.5
75.04471	1.4
77.03899	0.9
79.05488	36.1
81.03407	3.6
81.07053	66.4
83.04975	19.3
83.08634	5.1
85.02900	7.1
85.06538	38.5
87.04460	5.4
91.05478	45.7
93.07037	100.0
94.07365	1.1
95.04965	13.8
95.08605	29.3
97.02861	6.1
97.06527	14.9
97.10167	2.2
98.97586	9.0
99.04445	3.1
99.08089	3.1
101.06016	18.3
102.96902	1.0
103.05491	1.4
103.07609	1.7
105.04491	2.2
105.07021	32.1
107.04966	5.0
107.08592	27.6
109.02875	1.7
109.06504	10.3
109.10158	16.2
109.73432	0.9
111.04439	18.2
111.08067	4.8
113.06013	5.1
113.09617	1.3
115.03934	1.5
115.05420	1.8
115.07569	3.0
116.98632	5.9
117.07008	16.1
118.02853	1.2
119.08570	21.8
120.08080	1.7
121.06522	5.6
121.10137	13.0
123.04461	1.2
123.08053	9.4
123.11699	22.7
125.05970	3.0
125.09625	5.8
127.03905	1.6
127.07551	3.3
127.11194	3.3
128.02245	1.0
128.98663	1.0
129.05496	10.0
129.06978	6.6
129.09116	1.2
131.00117	1.4
131.04913	1.4
131.08562	29.2
133.06494	2.4
133.10127	27.5
134.99658	4.9
135.04384	1.1
135.08035	11.3
135.11703	12.7
137.09595	3.7
139.07513	4.2
139.11188	3.4
141.06989	4.2
143.00203	1.3
143.08559	2.5
144.09344	1.2
145.01709	1.3
145.10112	17.0
146.05984	1.8
146.99649	1.3
147.06526	4.7
147.08041	2.5
147.11684	8.4
149.09605	6.5
149.13277	4.6
151.07532	3.1
151.11185	18.3
153.09074	2.3
153.12691	1.3
154.03885	1.9
155.08534	2.9
155.10596	2.3
156.06157	1.2
157.10101	6.9
158.99690	2.8
159.03238	2.0
159.08067	2.6
159.11676	17.6
161.09602	1.5
161.13261	5.4
163.02812	1.4
163.04330	3.3
163.07451	2.2
163.11168	3.0
163.14847	1.2
165.06819	1.7
165.09074	1.2
165.12688	1.4
171.11661	1.5
173.01222	1.5
173.09621	2.5
173.13268	24.0
174.03641	2.3
175.11185	2.2
175.14859	1.7
177.00697	4.2
177.09190	1.6
177.12740	6.0
177.16371	1.9
181.08673	1.3
183.04167	14.4
183.11658	5.3
187.02699	1.1
189.16457	1.6
191.02364	2.2
191.06961	1.2
191.08533	1.4
191.10506	1.3
191.14304	7.7
191.17923	3.2
192.06514	1.4
193.12219	1.3
194.07043	1.4
194.54913	2.3
195.04993	1.3
195.10115	1.0
201.12746	13.9
201.16377	9.1
203.02264	2.9
214.58363	1.0
219.01692	1.6
219.10242	1.5
219.13846	19.6
219.17406	24.4
221.03401	2.5
222.08260	2.9
231.08908	2.0
237.08910	7.8
237.11127	2.1
237.14839	31.1
237.18472	19.4
237.22089	6.7
238.10713	14.8
244.99846	1.0
256.15045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1235
Annotation	Phe Ala
Peak:m/z	Relative Intensity
55.01879	0.2
55.05508	0.8
56.96556	0.6
57.07067	0.7
64.36770	0.2
67.05512	1.1
68.99786	0.2
69.03421	0.3
69.07065	0.9
69.96389	1.1
70.06571	0.3
71.04986	0.4
72.08161	0.5
79.05489	1.0
80.05825	0.2
81.03429	0.4
81.07072	1.3
83.04988	0.4
83.08636	0.3
84.08152	1.2
85.02920	0.3
90.05549	0.6
91.05462	1.0
93.07036	2.9
95.04974	0.5
95.08604	1.1
97.06545	0.3
97.10220	0.2
98.97577	0.3
100.91573	0.2
103.05471	5.0
105.07026	0.6
107.08580	1.0
109.06490	0.2
109.10160	0.8
116.98635	0.2
119.04933	0.3
119.08550	0.4
120.08108	100.0
121.06538	0.4
121.08444	0.6
121.10143	0.8
123.08103	0.2
123.11725	0.4
125.09652	0.3
127.03915	0.3
129.10220	0.3
131.04924	0.3
131.08609	0.3
135.04404	0.3
135.08031	0.3
135.11719	0.7
137.06029	0.2
139.03809	0.2
139.11174	0.3
145.10126	0.4
146.06049	0.4
147.04433	0.5
149.02289	0.2
149.13306	0.3
159.11737	0.5
161.13289	0.3
163.03903	0.6
172.95331	0.9
173.13237	0.3
177.05452	0.4
188.53918	0.2
190.92387	0.2
190.96376	0.5
192.06590	0.2
192.10298	0.2
201.16251	0.4
219.08208	0.2
219.13771	0.2
219.17386	0.4
237.09554	0.3
237.12398	4.1
237.14841	0.9
237.18370	0.7
237.22116	1.9
244.47783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1487
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03932	1.3
55.01862	2.2
55.05511	3.8
56.96567	2.8
57.03419	1.0
57.07072	4.4
59.04984	1.8
61.32799	0.4
61.36344	0.5
65.03925	0.8
67.05178	0.6
67.05505	9.2
69.03413	1.4
69.06719	0.6
69.07066	8.6
71.04996	3.7
71.08599	0.7
71.23903	0.5
71.24230	0.8
75.25538	0.4
77.03914	0.6
79.05074	0.6
79.05496	7.1
81.03392	1.4
81.06581	0.8
81.07054	14.7
83.01299	0.6
83.04597	0.4
83.04979	4.1
83.08618	2.5
85.02898	5.9
85.06526	4.0
85.10076	0.4
85.43353	0.5
91.05479	8.5
92.38877	0.4
93.07044	16.7
95.04970	4.9
95.08054	0.8
95.08609	11.1
97.02877	0.6
97.06535	4.7
97.10165	1.2
99.04455	3.7
99.08075	1.3
101.05994	0.5
103.05469	1.1
105.07026	8.7
107.04940	1.9
107.08595	12.2
109.06512	11.3
109.10154	6.5
111.04446	1.1
111.08083	3.0
113.06004	0.6
113.09634	0.8
113.98859	0.5
115.05421	1.2
116.98619	0.6
117.07011	3.9
119.04928	2.1
119.08581	8.2
121.06506	9.3
121.09316	0.6
121.10136	8.9
123.04413	1.7
123.08073	2.8
123.11676	4.5
123.24487	0.5
125.05986	1.3
125.09598	1.0
129.06999	2.1
130.25217	0.5
131.08575	7.3
133.10136	5.8
135.08058	8.6
135.11679	8.2
137.05986	7.2
137.09587	2.2
137.13225	0.7
139.07550	4.0
139.11169	1.0
141.08954	0.7
143.08551	1.5
144.09346	3.2
144.33566	0.5
145.06421	0.7
145.10118	4.8
146.99611	1.0
147.08029	0.8
147.11662	2.2
149.05934	0.8
149.09634	2.7
149.13246	3.0
151.07561	3.7
151.11154	1.3
153.06984	0.5
153.09019	2.3
153.12753	0.9
155.08482	0.5
157.10126	1.8
158.10820	0.7
159.08041	1.1
159.11693	22.1
161.06070	0.6
161.09613	2.6
161.13254	3.6
163.06267	0.8
163.07542	7.8
163.11176	4.2
163.14793	1.5
164.08307	1.3
167.06990	0.5
167.10678	0.6
170.76080	0.5
173.13303	3.8
175.11139	0.9
175.14787	1.7
177.05447	1.2
177.09143	0.9
177.12770	6.9
177.16342	1.4
178.07611	0.5
179.08575	0.7
179.10590	0.6
181.08611	12.8
181.10100	0.8
181.12158	0.8
183.11732	0.8
189.12601	0.6
189.16342	0.8
190.98584	1.2
191.14314	2.4
191.17934	2.0
193.15807	0.6
194.04076	0.7
195.11710	0.6
195.13763	0.8
197.09590	1.5
201.12744	2.2
201.16365	8.5
204.07751	0.5
205.05002	0.6
209.07954	0.6
209.09689	0.5
219.10271	0.7
219.13832	9.4
219.17389	8.8
219.20857	0.9
222.13875	0.8
237.14828	100.0
237.18321	9.6
237.21883	2.4
238.15199	2.5
238.17998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.7
53.74670	0.7
55.01852	1.0
55.05483	2.7
56.96550	1.8
57.03439	8.0
57.07047	2.1
59.05000	0.9
59.91655	0.6
60.04502	0.7
63.22952	0.7
67.05508	4.2
69.03409	2.0
69.07050	2.9
71.04967	2.7
71.60266	1.2
75.04451	2.5
79.05501	3.7
81.03403	1.0
81.07061	5.1
83.04984	3.2
83.08594	1.9
84.08133	0.6
85.02892	1.4
85.06527	1.4
86.09679	0.8
90.94886	0.8
91.05484	7.6
93.07053	6.0
94.25315	0.7
95.04951	2.0
95.08622	3.7
97.02903	1.2
97.06528	1.6
97.10187	1.0
99.04446	1.0
102.04678	5.4
103.05470	31.1
105.07035	10.3
107.04949	1.4
107.08588	5.4
109.06512	1.7
109.10170	3.3
111.04475	0.7
111.08115	1.2
115.05453	2.6
116.98615	0.9
117.06995	2.1
119.04959	5.4
119.08563	2.9
120.05252	1.1
120.08130	1.7
121.06496	1.2
121.10167	3.2
123.08080	1.4
123.11726	0.9
125.09612	1.2
127.03830	0.7
127.11246	0.7
129.06975	1.2
130.04152	13.8
131.04933	88.4
131.08572	2.2
133.06509	6.1
133.10129	4.0
135.04399	0.8
135.08055	1.8
135.11705	2.1
137.06006	1.2
137.09596	1.4
139.11205	0.7
145.06517	1.9
145.10095	2.3
147.04410	17.2
147.08060	1.1
147.11694	1.0
148.05200	100.0
149.05959	1.3
149.09621	0.9
149.13268	1.0
151.07591	1.0
151.11183	7.0
157.06560	1.8
158.07195	2.2
159.08084	1.1
159.11674	2.0
160.05249	2.3
161.05989	17.3
161.09605	0.7
161.13254	1.0
162.06766	10.1
163.07550	65.9
163.11169	1.9
163.14767	0.9
164.56563	0.7
165.05475	1.2
165.06898	0.7
173.09583	1.3
173.13281	1.3
175.07556	2.3
177.05498	2.0
177.09047	0.8
177.12735	1.1
179.06963	0.9
179.08578	0.7
181.08615	1.4
187.04668	0.7
189.09143	1.3
191.08563	1.3
191.10710	0.8
191.14337	1.0
194.07297	1.0
200.98608	0.8
201.09186	2.1
201.12692	1.2
201.16466	1.6
204.07858	1.5
205.08627	0.7
209.09637	0.7
219.08064	2.9
219.10220	3.5
219.13870	1.7
219.17442	4.4
219.21126	1.0
222.80400	0.7
233.05066	2.5
237.09164	4.7
237.11307	3.8
237.14745	3.7
237.18547	4.1
237.22087	4.8
238.06418	2.3
244.99496	0.8
245.99405	1.1
246.99072	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33014	0.4
53.03946	0.3
55.05520	2.0
56.05024	0.6
56.52620	0.3
56.96293	0.8
56.96565	10.3
57.03426	1.4
57.07073	1.2
58.06574	0.5
60.04517	1.3
60.95860	0.4
61.02923	0.7
67.05508	1.9
69.03445	1.9
69.07063	1.7
70.06585	3.7
70.37313	0.3
70.98110	0.4
71.01347	1.0
71.05005	0.7
71.57351	0.6
72.08158	3.0
73.02909	1.3
74.02441	5.9
74.06080	0.5
77.00926	0.4
79.05482	1.0
81.03412	1.3
81.07063	2.5
82.06576	0.5
82.95645	0.3
83.04982	1.8
83.08621	0.9
84.04494	2.2
84.08138	6.4
84.96041	1.0
85.02899	2.0
85.06518	0.6
85.23104	0.3
85.71783	0.4
86.09696	2.5
87.51368	0.3
89.03916	0.6
91.05479	1.4
93.07031	1.6
95.04980	0.8
95.08594	1.5
97.02897	2.0
97.06544	0.6
97.10179	0.5
97.54858	0.3
98.97582	4.2
99.04442	0.5
100.02505	0.5
103.05428	0.4
105.07015	1.0
107.04957	0.9
107.06055	0.8
107.08598	1.7
109.02866	0.7
109.06535	0.6
109.10170	1.3
110.07142	0.6
110.97549	0.7
111.04466	0.7
111.09214	0.4
116.07072	0.6
116.98624	4.3
117.03433	0.6
117.06996	0.7
118.03539	0.4
118.06529	1.7
119.01904	1.0
119.08553	0.7
120.08096	2.9
121.03976	0.4
121.06529	0.8
121.10168	1.2
121.99927	1.9
123.08080	0.4
123.11716	0.6
127.03918	1.6
128.04976	4.1
128.10698	0.7
128.98589	0.9
129.10216	1.1
130.05006	0.4
130.06548	0.9
130.08629	0.5
131.00200	0.5
131.03418	0.6
131.08543	0.6
132.04460	1.0
133.10132	0.7
134.07150	0.9
134.99658	4.0
135.04430	1.2
135.08084	0.6
135.11725	1.0
136.07603	0.5
136.93150	0.9
137.05986	0.4
138.99037	0.3
139.03981	0.4
142.37453	0.3
143.00165	1.0
145.01700	0.7
145.03610	0.7
146.06010	100.0
146.99655	1.2
147.03287	0.8
147.04411	0.7
147.06369	0.7
148.03955	0.9
148.05040	0.4
149.01208	0.8
149.09689	0.4
149.13200	0.4
153.00822	0.8
154.94167	2.8
155.04631	0.9
155.54860	1.2
156.04947	0.5
156.97514	0.4
158.06035	0.9
158.99698	1.4
159.03067	0.7
159.11691	0.5
161.01213	1.8
161.02908	0.4
161.13289	0.5
162.99168	0.6
163.02676	0.7
163.03888	4.9
163.07503	0.4
164.55347	0.4
165.00729	0.6
165.05588	0.4
168.05103	0.7
172.95253	13.5
173.07306	0.4
174.00746	0.4
174.98529	0.6
177.00769	1.8
177.05580	0.6
177.09212	0.6
185.01228	0.4
186.06087	0.7
187.02670	0.4
188.05960	0.6
189.00752	0.5
190.96301	12.1
190.98613	1.5
191.02390	0.9
191.04033	0.4
191.05621	1.6
191.08250	1.1
192.06560	1.1
193.14453	0.5
195.01863	0.5
195.05074	0.5
195.96886	1.9
196.91862	0.5
201.00671	0.9
201.16081	0.7
208.97397	0.5
208.99631	0.5
213.06653	0.4
213.97850	1.0
213.99722	0.5
214.05626	1.4
214.96283	1.0
215.04010	0.6
216.04965	0.4
219.01772	1.3
219.04950	0.4
219.07684	1.5
219.09979	0.4
219.13817	0.4
219.17397	0.7
227.56989	1.4
228.07111	0.8
231.01808	0.9
232.01117	0.3
232.04832	0.9
232.97351	1.6
236.05363	0.5
236.57310	0.5
237.02866	4.1
237.06059	1.4
237.08636	6.4
237.11195	0.6
237.12437	0.7
237.18448	1.2
237.22075	2.6
237.57657	0.7
238.06715	0.5
249.02791	0.8
255.03831	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	237.0869
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
53.43761	0.5
53.57468	0.4
55.82159	0.5
56.96552	0.6
67.05514	0.5
69.07059	0.5
70.93509	0.6
70.93871	1.1
74.02443	3.7
75.03226	0.5
79.05481	0.7
81.07060	0.7
91.05475	1.4
94.06576	2.7
95.04961	0.8
99.00846	0.6
104.04961	0.8
110.06042	1.6
117.05836	0.6
118.06540	7.4
119.04933	0.5
120.04469	2.4
120.08104	5.4
121.10183	0.5
128.04973	4.5
130.06531	9.6
131.07262	1.0
132.04440	1.8
132.08034	0.4
133.05212	1.4
136.07571	6.0
143.07283	0.7
145.07635	0.9
146.06006	100.0
147.06403	0.6
148.03937	8.7
150.05505	2.0
152.58258	0.6
157.07610	9.9
158.06056	0.5
159.09171	2.2
163.03909	1.7
163.08760	0.6
164.07069	1.8
166.08633	4.2
173.07132	3.2
174.05511	10.6
174.07834	0.7
175.06206	0.4
178.05043	1.6
185.07097	0.8
191.08163	11.1
192.06577	3.7
202.04984	2.5
203.08156	8.1
219.07640	1.4
220.06070	4.0
220.08322	0.9
237.02988	0.8
237.08734	8.1
237.12411	1.3
237.22102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
53.03947	1.0
53.21712	0.6
55.01857	0.9
55.05515	3.1
56.96566	1.7
57.03421	0.8
57.07060	2.3
59.05005	0.8
67.05492	2.7
69.03435	1.4
69.07069	3.1
70.06577	2.7
71.04973	1.0
71.08595	0.7
71.56982	0.6
72.08138	2.0
74.02451	4.7
76.51649	0.7
77.44258	0.6
79.05496	3.3
79.12405	0.6
81.03415	0.9
81.07053	4.8
83.04974	2.7
83.08624	1.3
84.08160	3.6
85.02906	2.1
86.09707	1.8
91.05485	3.9
92.04973	1.0
92.39076	0.6
93.07054	5.6
94.06570	22.3
95.04961	1.9
95.08601	3.9
97.02873	1.6
97.06503	1.3
99.00804	5.4
103.05472	4.0
104.04997	3.7
105.07031	1.9
107.04973	0.8
107.08556	3.5
109.06530	1.2
109.10167	2.3
111.04440	0.7
111.08063	0.9
116.98666	0.7
118.06541	23.2
119.08558	1.2
120.04459	8.6
120.08103	100.0
121.06506	1.1
121.10160	2.7
122.06033	1.5
123.08084	0.8
123.11727	1.4
125.09562	0.8
127.03915	2.3
128.04955	0.7
129.10233	0.8
130.06519	2.3
130.85916	0.7
131.08537	1.5
132.04446	6.9
132.69406	0.7
133.10136	0.7
135.04419	1.4
135.11699	2.2
136.07576	37.9
146.06003	53.8
147.06429	0.6
148.03911	3.1
149.13252	0.7
150.05507	10.5
156.04424	1.0
157.07642	1.3
159.11681	1.4
161.01138	0.7
163.03896	2.3
163.08650	2.0
163.14880	0.8
164.07056	6.3
172.95277	2.9
174.05508	31.4
175.30589	0.6
177.05467	0.9
190.96422	3.0
191.08235	1.4
191.14391	0.9
192.06546	27.4
193.06973	0.7
201.00714	2.3
201.16356	0.9
202.05000	10.5
203.08185	2.0
219.14131	0.6
219.17415	1.1
219.21077	0.9
220.06044	14.2
231.01857	0.9
233.05296	0.7
237.08946	6.0
237.12389	4.3
237.14848	1.7
237.18524	2.3
237.22147	5.8
249.02864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.05505	3.0
55.93542	5.3
56.94309	10.1
56.96552	1.4
63.30074	1.0
68.94279	1.5
70.85446	2.0
70.95869	74.2
71.93001	1.8
72.93396	1.6
72.93793	32.6
79.05473	1.2
82.95850	2.8
83.04982	8.4
88.96909	26.6
90.94834	12.0
94.02801	1.0
96.96156	1.6
97.96906	2.1
106.97961	3.1
107.95048	1.0
108.95872	2.7
111.98481	100.0
113.96407	51.1
114.98433	2.6
117.00669	0.9
121.10146	1.1
126.98386	1.2
129.99518	48.7
130.97873	1.1
131.97450	27.4
132.99515	1.9
141.99608	1.1
142.97922	1.1
144.99501	2.2
146.96202	1.3
150.96837	2.0
153.01094	13.2
154.97878	1.5
154.99057	4.4
172.98978	5.9
173.98537	1.8
175.24265	1.0
191.00024	28.8
196.00562	41.7
214.01630	78.5
237.03250	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	237.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36917	1.7
55.01871	3.4
55.05502	7.6
55.93517	7.6
56.94311	9.6
57.07075	2.9
58.34156	1.9
64.01450	2.1
66.76405	1.9
67.05506	3.2
68.94290	2.7
69.07067	5.5
70.42544	6.8
70.95869	66.9
71.04995	3.3
72.93792	33.3
79.05489	2.6
81.07059	9.4
83.05000	12.2
83.08617	2.5
88.96402	2.3
88.96913	33.9
90.94834	13.6
91.05466	3.0
93.07037	8.0
95.08611	7.8
105.07026	4.3
106.97929	7.7
107.08598	5.3
108.95860	4.3
109.10156	6.3
111.08088	1.9
111.98487	93.5
113.96400	44.3
114.98414	2.8
119.08601	4.3
121.10141	5.6
123.11733	2.4
129.99522	64.3
131.97447	34.9
132.99442	4.6
133.10112	2.6
135.11703	4.5
144.99438	3.1
145.10069	3.0
153.01111	33.0
154.99017	9.7
159.11723	2.5
161.13231	2.1
166.07816	2.5
167.08589	2.6
172.98892	4.9
179.08557	3.4
181.10112	6.9
191.00012	37.6
193.10146	7.8
195.11714	10.3
196.00557	56.5
201.16400	4.1
207.11710	11.1
208.12434	5.1
209.13240	6.6
214.01637	100.0
219.17407	6.2
222.13931	5.1
237.03241	47.1
237.07227	2.0
237.12917	2.8
237.16455	47.1
237.18491	5.6
237.22003	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	236.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96387	0.9
58.06588	2.3
69.24336	1.0
70.87887	2.2
70.88223	2.0
77.21611	1.1
80.55470	1.0
85.02916	1.1
98.97576	1.0
110.21150	1.1
118.08663	32.6
118.09521	1.6
119.01932	1.3
119.09010	30.1
120.02026	1.3
133.01646	7.1
149.01126	87.1
162.04280	13.9
170.99046	2.4
176.05849	18.3
177.06659	8.9
183.06531	1.2
189.00098	2.2
192.09007	8.7
231.01141	2.6
236.07982	100.0
236.14920	2.0
254.03134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74903	1.4
51.32926	1.4
55.05508	2.7
56.96547	5.3
57.00618	1.5
57.07066	4.7
58.07404	2.5
63.58804	1.5
70.06580	4.8
71.05003	1.9
71.57563	2.4
76.28852	1.4
78.78555	1.5
79.05447	1.3
79.49545	1.4
81.07024	1.5
83.04974	1.7
85.02861	1.5
91.05488	2.2
92.23586	1.4
93.04530	2.0
98.97568	3.0
107.43005	1.5
116.98611	2.1
118.08658	8.0
120.08099	3.4
121.03970	7.4
122.03576	1.8
122.07144	2.0
123.04469	2.1
124.05066	3.1
127.03918	5.7
134.99660	2.0
135.03030	2.1
138.03055	1.8
145.05096	1.7
146.03456	3.3
147.06635	2.3
148.05040	5.7
163.03867	2.2
163.06166	7.6
164.05644	4.2
165.04131	2.7
165.06467	7.1
173.04636	7.8
175.06177	3.4
176.04564	4.2
180.05156	7.6
180.11014	2.8
190.07257	17.9
191.05678	5.0
192.05121	3.1
193.05963	81.7
194.06718	9.9
201.00792	2.2
201.04063	14.3
208.04584	3.6
218.06734	44.0
218.10173	2.7
219.01794	2.3
219.05206	2.8
236.07773	100.0
236.17278	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	236.073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51381	1.8
54.55382	2.1
55.01868	3.6
55.02343	1.8
55.05512	9.0
56.05025	2.2
56.96290	3.0
56.96569	32.2
57.03437	7.2
57.07073	10.0
58.06609	2.7
58.07417	2.1
59.05008	4.7
60.04532	37.9
60.33379	1.8
61.01154	2.4
61.02916	4.0
67.05507	9.3
69.03442	13.0
69.07068	7.3
70.02943	2.4
70.06607	11.1
70.71127	1.9
70.71432	4.3
71.05008	3.9
72.08171	3.1
73.02914	7.1
73.06553	5.7
74.06054	2.2
81.03424	3.3
83.04970	3.0
84.08170	2.4
84.96047	4.7
85.02921	13.8
85.06552	8.2
85.48703	1.8
91.05495	2.7
93.07030	2.2
93.86839	1.9
95.04964	7.1
96.71223	2.2
97.02921	10.4
97.06532	4.2
98.97591	18.3
101.93112	1.9
102.05573	1.9
103.07597	3.7
104.19776	2.1
106.05040	100.0
107.08592	2.2
110.07179	3.0
112.07633	3.4
114.09208	2.4
115.03870	2.2
116.03464	4.6
116.98637	16.2
118.08678	33.8
119.01826	5.7
119.09008	7.0
121.02931	3.0
121.06526	10.7
127.03906	7.3
128.98593	6.0
129.10313	3.1
131.00198	3.6
132.02966	3.2
133.10164	2.4
134.01295	2.5
134.99669	10.4
146.04068	2.3
146.06010	6.4
146.99689	5.8
147.03229	3.1
147.04338	2.2
149.01248	2.6
154.08614	2.3
155.04660	33.8
155.54846	5.4
158.99634	7.8
161.01161	3.3
161.02867	2.3
162.05243	2.2
164.05215	18.1
165.04437	3.7
166.55580	5.5
177.00760	11.7
177.05775	2.3
179.04675	2.8
180.11116	2.9
187.02786	3.6
189.00668	2.5
190.10728	2.3
191.03885	3.6
199.05458	3.0
200.09222	7.8
201.00731	7.4
213.00601	3.9
218.06647	3.0
218.10184	12.3
219.01762	5.5
227.06857	15.6
227.57098	2.7
236.07356	9.3
236.09270	2.3
236.11227	34.3
236.17262	19.9
237.02904	6.6
255.03769	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	235.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.05513	18.2
56.96564	3.5
57.06821	2.1
57.07076	28.6
59.04994	2.3
59.33326	1.6
67.05507	44.8
67.42963	1.6
69.03424	12.4
69.06723	3.5
69.07070	48.6
71.04991	14.9
71.08623	2.0
71.58710	2.8
74.87705	1.6
75.69779	1.8
78.43040	1.6
79.05061	3.7
79.05494	42.9
81.03408	3.1
81.07061	93.5
83.04986	3.3
83.08614	10.2
85.02893	2.3
85.06522	5.5
87.08117	2.2
91.04887	2.3
91.05478	76.4
93.07048	61.2
95.05003	8.0
95.08611	93.0
97.02871	2.1
97.06517	7.1
97.10159	5.9
99.08066	3.8
103.05466	2.0
105.03333	2.1
105.07033	88.5
107.04952	3.6
107.08598	60.6
109.06519	7.3
109.10155	75.6
111.08077	15.3
115.05459	4.0
117.07026	11.3
119.08583	100.0
121.02902	2.3
121.06534	3.9
121.10149	43.1
123.04372	2.2
123.08088	9.8
123.11698	23.2
125.09673	3.2
125.13271	3.0
127.11180	6.2
128.06223	1.8
129.07013	4.8
131.08578	11.9
133.06528	3.2
133.10133	71.9
134.10437	1.8
135.08075	5.1
135.11699	15.9
137.09653	5.0
137.13271	16.7
143.08571	5.5
144.09335	2.1
145.06487	3.8
145.10124	7.8
147.04433	2.2
147.08066	5.9
147.11694	84.3
149.09610	3.5
149.13263	26.1
151.07637	3.4
151.11188	33.0
157.10109	9.1
159.11670	15.8
160.12451	2.1
161.09612	6.2
161.13254	27.5
163.11211	2.8
163.14792	5.2
165.12775	3.3
171.11649	4.7
173.06029	3.5
173.13171	4.5
174.96906	3.5
175.07495	5.1
175.11212	6.2
175.14810	27.4
177.09073	2.0
177.12755	7.8
177.16353	3.0
179.10698	16.5
179.14313	5.8
189.12703	4.5
189.16418	13.7
191.14256	3.2
193.12218	3.0
199.11201	2.5
199.14798	12.6
203.17955	92.8
207.05444	2.5
207.17484	1.7
217.12201	3.8
217.15886	22.0
217.19475	14.5
220.12335	3.9
222.47682	1.7
235.07710	3.3
235.09735	4.0
235.13188	5.6
235.15059	3.5
235.16942	98.3
235.20509	38.5
236.17322	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.1
57.07075	15.6
59.05001	3.2
67.05507	23.9
69.07067	46.4
70.61752	3.4
71.04972	4.8
79.05062	2.7
79.05488	35.6
81.07056	55.5
83.04969	5.4
83.08607	13.1
85.06523	3.6
90.68215	1.7
91.05479	62.0
93.06467	2.8
93.07040	45.6
94.19608	1.6
95.04957	4.1
95.08601	53.0
97.06527	2.3
97.10161	1.9
105.07028	69.7
107.08585	40.5
109.06527	4.0
109.10154	60.0
111.08079	14.8
117.07006	6.3
117.53541	1.5
119.08576	80.6
120.03342	1.4
121.10136	28.4
123.04473	1.7
123.08060	2.7
123.11708	24.6
125.09582	2.1
125.13280	3.8
131.08546	4.5
131.40533	1.8
133.10123	48.0
135.11664	10.2
137.09570	2.8
137.13222	4.3
142.58440	2.0
145.10086	3.9
147.11684	86.6
149.13254	4.2
150.71397	1.5
151.11171	32.0
157.10139	1.9
159.11641	4.9
161.09587	1.7
161.13249	20.0
163.14740	2.3
165.12688	3.1
173.13187	2.3
175.11188	1.9
175.14784	10.0
179.10670	8.0
179.14221	2.5
189.16351	4.0
191.14307	1.6
199.14886	2.4
203.17946	100.0
217.15826	5.9
217.19406	3.0
235.14708	3.0
235.16933	40.9
235.20526	23.7
236.92661	1.7
241.73349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2054
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03934	3.1
55.05510	14.4
57.03422	1.5
57.07077	14.3
59.05000	2.9
67.05499	30.9
69.03420	2.0
69.07063	22.8
69.44836	13.7
71.04984	21.7
71.43288	1.4
79.05481	21.5
81.03401	2.1
81.06577	3.0
81.07050	54.3
82.07356	1.7
83.04982	2.9
83.08611	6.6
85.06563	1.7
91.05483	15.7
92.11257	1.6
93.07039	46.7
93.07629	2.7
94.17420	1.7
94.18004	1.7
95.04963	5.7
95.08599	100.0
97.06529	4.9
97.10151	2.6
98.20780	3.3
99.08089	4.0
105.07025	24.1
107.04967	2.0
107.08590	53.2
109.06509	5.5
109.10150	41.4
111.04421	1.8
111.08112	2.7
111.11736	2.4
117.07015	4.5
119.08566	38.3
121.06526	1.8
121.10133	39.0
123.08036	2.7
123.11710	9.7
125.09611	3.0
127.11199	13.2
129.06989	3.3
131.08553	7.5
133.06462	2.9
133.10123	45.6
135.11684	9.8
137.09561	3.9
137.13223	14.4
137.72766	1.6
143.08502	3.7
145.10136	5.4
147.08046	2.9
147.11673	23.4
149.09607	2.7
149.13248	70.8
151.07520	3.3
151.11147	3.4
153.12729	1.7
155.72021	1.6
157.10091	5.4
159.11676	8.2
161.09566	4.7
161.13248	17.1
163.14803	5.9
165.12741	3.7
171.11690	2.9
173.13193	3.8
175.07603	2.4
175.11165	5.6
175.14809	14.1
177.12782	3.5
177.16386	2.0
179.10703	7.3
189.09430	1.8
189.12720	3.5
189.16396	20.9
191.17963	1.7
199.14792	7.7
217.12213	5.5
217.15929	14.5
217.19484	29.2
235.07643	2.4
235.09673	2.5
235.13208	6.0
235.16930	60.0
235.20555	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	235.2055
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
51.32236	0.8
51.97606	0.9
53.03930	1.9
53.71548	0.8
55.01860	2.3
55.05262	1.1
55.05507	16.1
57.03424	2.2
57.07079	15.4
59.04999	1.4
61.71804	0.9
65.03924	1.4
67.05502	58.7
69.03405	3.1
69.07067	16.8
70.95188	2.6
71.04991	5.2
71.08623	4.0
79.05490	27.8
81.07055	86.8
83.04990	6.0
83.08192	1.1
83.08620	10.7
85.06532	6.5
85.10173	2.2
91.05479	22.8
92.51360	0.8
93.07040	40.6
95.04984	5.4
95.08602	75.9
97.06528	18.2
97.10147	4.7
99.04449	2.0
99.08092	7.2
105.07028	25.0
105.07747	1.2
107.04917	1.3
107.08591	30.0
109.06512	5.1
109.10154	35.4
111.08079	4.2
111.11731	1.2
113.09646	4.0
115.05491	0.9
117.06992	3.3
119.08577	31.8
121.06519	1.7
121.10139	40.6
123.04385	1.4
123.08073	5.5
123.11703	16.3
125.09612	1.5
131.08569	4.4
133.06413	1.4
133.10132	32.8
135.08049	2.2
135.10681	1.5
135.11696	30.4
137.09624	8.2
137.13260	10.4
139.03841	1.2
139.11183	8.5
143.08549	2.0
145.10121	2.4
147.08049	3.4
147.10698	1.0
147.11679	23.6
149.09615	1.3
149.13264	10.0
151.11205	4.2
151.14819	5.3
153.12737	2.1
155.10707	1.6
156.09312	0.9
157.10089	2.6
159.11674	5.3
161.09595	3.5
161.13257	17.5
163.14801	4.4
163.72362	1.0
165.12689	2.1
171.11649	1.0
173.13266	3.3
175.11235	2.2
175.14827	11.1
177.12796	1.4
177.16368	3.7
179.10684	5.3
189.12782	1.4
189.16359	17.7
191.14319	4.3
191.17955	6.4
197.19507	0.9
199.14815	3.3
207.17415	1.4
217.12500	1.1
217.16185	8.2
217.19502	54.2
218.19769	1.7
235.09639	2.1
235.16985	37.5
235.20554	100.0
236.20950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03948	1.8
55.01876	1.9
55.05515	13.9
56.96552	3.0
57.03435	3.3
57.07078	22.0
59.04996	3.6
65.03942	1.9
67.05171	1.6
67.05508	26.7
67.55266	1.1
69.03419	3.8
69.07066	26.9
71.04644	1.7
71.04997	21.2
71.08628	1.6
71.18055	3.1
79.05495	20.7
81.03424	6.2
81.07059	63.7
83.04984	8.6
83.08624	8.0
85.02898	4.2
85.06539	10.5
86.33044	1.2
90.25247	1.3
91.05488	24.8
93.07043	49.0
95.04988	7.4
95.08609	89.7
97.02877	1.3
97.06534	5.8
97.10172	2.4
99.04449	2.5
99.08080	5.9
105.07033	42.3
105.37176	1.2
107.04958	5.1
107.08600	63.4
109.06531	11.5
109.10155	40.7
111.04429	2.0
111.08088	4.8
111.11692	2.2
113.05991	4.6
113.09664	2.2
115.05446	1.6
117.07014	6.9
119.08584	52.4
121.06499	5.4
121.10152	32.2
123.08070	6.0
123.11711	14.3
124.08846	2.1
125.09667	3.4
127.11198	11.3
129.07021	4.2
131.08583	11.6
133.06464	2.3
133.10132	52.5
135.08025	3.5
135.11684	22.0
137.09616	5.1
137.13264	13.5
139.11183	1.6
142.07791	3.8
143.08527	7.5
144.09346	1.8
145.06502	2.5
145.10175	7.8
147.08044	5.5
147.11696	38.2
149.09608	4.7
149.13261	54.1
151.07585	1.6
151.11180	8.3
153.12733	2.7
156.09369	1.7
157.10127	15.9
159.11703	29.0
160.12456	1.6
161.05980	2.3
161.09648	7.6
161.13261	12.7
163.14806	3.3
165.09050	2.4
165.12729	4.0
171.11655	3.1
173.05991	3.5
173.09639	2.8
173.13312	6.7
175.07584	1.8
175.11206	9.5
175.14824	28.9
177.12750	12.8
177.16380	2.4
178.03323	1.3
179.10674	14.6
189.12801	2.8
189.16388	12.4
191.14415	2.1
191.17957	3.4
193.12210	2.3
193.15852	12.3
199.14781	8.2
203.18015	12.1
205.15897	1.7
217.08632	2.5
217.12354	2.6
217.15927	26.5
217.19485	21.7
220.12520	4.2
235.07660	1.9
235.09621	3.2
235.13162	5.1
235.16939	100.0
235.20506	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	235.2055
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
51.45144	1.1
53.03933	3.3
55.01850	2.9
55.05510	25.4
57.07072	19.8
59.04969	2.0
60.75604	1.1
64.90875	1.0
67.05183	2.0
67.05504	30.3
69.03403	1.6
69.06728	1.6
69.07063	27.7
71.04996	15.5
71.08626	1.2
71.40298	2.8
79.05484	22.2
81.03408	1.9
81.07053	51.5
83.04978	9.6
83.08154	1.2
83.08617	23.5
85.06532	3.4
85.78065	1.2
87.08083	3.1
91.05477	22.1
93.07039	52.5
95.04948	7.7
95.08604	85.5
97.06525	9.0
97.10129	4.1
99.08064	3.8
105.07022	32.7
107.04960	2.4
107.08590	55.7
109.02844	2.2
109.06511	7.6
109.10154	40.7
111.08081	6.1
111.11691	2.0
113.09602	1.9
117.06986	4.7
118.08578	1.4
119.08580	45.1
121.06470	3.3
121.10140	39.1
123.08029	5.4
123.11707	13.9
125.09567	3.5
127.11191	13.5
129.06995	1.9
130.62842	1.1
131.08568	6.6
133.06477	2.5
133.10130	44.4
134.07172	1.1
135.08022	5.3
135.11674	13.6
137.09631	5.5
137.13260	10.8
139.07513	1.5
139.11148	8.2
143.08572	2.6
145.10074	4.3
147.04390	1.3
147.08018	2.5
147.11676	33.4
148.12512	1.2
149.09538	3.5
149.13255	47.8
151.11212	6.4
153.09166	1.4
157.10092	4.6
159.11694	8.6
161.09544	3.5
161.13261	15.8
163.14806	6.6
165.09061	1.4
165.12704	3.2
171.11615	1.5
173.13206	4.4
175.11130	3.0
175.14793	13.3
177.12694	4.8
177.16325	4.2
179.10675	9.9
179.14279	2.4
189.12611	1.7
189.16396	7.2
191.14189	4.0
193.12102	1.4
193.15866	4.0
199.14748	4.6
203.17941	19.7
205.09993	2.0
207.13737	1.4
207.17371	1.8
217.12148	1.2
217.16005	9.2
217.19493	22.3
220.12296	4.3
235.15065	7.0
235.16844	100.0
235.20499	43.2
236.17191	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
50.84255	1.0
53.03929	2.2
55.05508	10.8
57.07062	4.9
66.98619	1.1
67.05507	7.3
69.07066	19.7
71.04793	2.6
77.03825	1.1
79.05488	20.6
81.07057	23.4
83.04954	2.1
83.08614	13.0
85.06551	3.2
86.25127	1.1
91.05474	17.5
93.06468	1.9
93.07047	33.5
95.04984	2.2
95.08607	40.2
97.06519	1.3
97.10168	2.2
97.87267	1.1
105.07032	37.8
107.04920	1.3
107.08598	23.2
109.06512	5.0
109.10134	7.7
117.06998	2.9
119.08580	46.1
121.06512	16.6
121.10146	31.9
123.08083	3.7
129.07007	3.0
131.08559	5.3
133.06505	4.8
133.10133	22.2
135.08076	8.2
135.11670	4.9
137.09612	2.9
139.07559	9.6
143.08578	4.2
145.10106	2.2
147.08022	9.9
147.11673	5.1
149.09518	1.4
151.07503	1.9
153.09137	5.1
157.10143	7.3
159.11656	2.9
159.83507	1.3
161.08478	1.2
161.09599	7.8
161.13252	2.2
165.09113	18.0
167.10674	1.3
171.11697	3.2
173.13275	10.4
175.11168	5.8
175.14828	39.8
179.10640	14.0
189.12721	2.6
189.16423	5.6
193.12306	2.4
199.14841	12.7
217.15889	20.9
235.13176	3.0
235.16933	100.0
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	Macrophyllic acid A
Peak:m/z	Relative Intensity
50.76960	1.6
55.05507	9.9
57.07066	11.2
59.04989	4.2
59.42203	1.5
63.23116	1.4
65.58717	1.5
67.05502	13.7
68.75975	1.6
69.03415	7.6
69.07059	15.1
70.96577	1.5
71.04975	6.2
71.15997	4.2
79.05494	10.8
81.07053	31.6
83.04967	4.9
83.08604	6.0
85.06519	5.0
91.05467	17.2
93.07035	20.7
95.04962	8.1
95.08595	31.9
97.06538	3.9
99.08064	2.0
105.07021	33.7
107.08592	30.9
109.06503	9.1
109.10145	16.4
110.97511	2.1
111.08076	4.4
117.06967	4.9
119.08571	73.4
120.08872	1.7
121.06493	3.4
121.10147	19.6
123.08063	5.3
123.11663	5.7
128.06180	1.8
129.06998	2.9
131.08551	13.7
131.74997	1.7
133.06496	2.2
133.10118	43.7
135.08052	15.1
135.11684	9.4
137.09573	4.7
137.13229	3.0
142.07753	2.8
143.08568	7.8
145.10107	12.2
147.08041	6.6
147.11668	19.7
149.09593	4.1
149.13260	3.5
151.11153	6.7
156.09300	4.0
157.10098	11.1
158.10934	2.3
159.11652	11.6
161.09619	42.9
161.13275	8.4
163.68417	1.5
165.12740	1.6
167.99074	1.9
171.11685	6.2
173.13287	13.7
175.11172	12.3
175.14796	17.0
177.12758	6.3
179.10629	16.6
184.12483	2.9
187.11151	1.9
187.14749	2.6
189.12770	4.6
189.16354	31.5
192.11420	1.6
193.15858	2.7
199.14818	11.2
207.17328	1.8
217.15866	68.5
217.19485	6.8
235.09685	2.0
235.16905	100.0
235.20349	11.6
236.17154	2.2
240.78069	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
50.13836	2.9
53.03931	7.5
55.05500	10.1
57.03425	12.4
57.07069	4.3
57.28414	3.0
59.86948	3.1
61.53448	2.7
65.31289	3.0
67.05497	19.3
69.07052	13.8
69.49536	30.3
69.86546	2.8
71.04984	10.0
74.85980	3.7
79.05483	21.5
81.03379	4.3
81.07047	54.0
83.04974	14.0
85.02903	26.1
85.06531	4.8
91.05480	30.5
93.07043	90.1
95.04953	11.6
95.08604	33.8
97.06543	8.1
99.04426	6.4
105.07032	49.0
107.04952	8.3
107.08598	64.7
109.06580	15.2
109.07225	3.0
109.09499	4.1
109.10147	26.6
117.07006	7.1
119.08581	41.3
121.06509	9.9
121.10131	25.4
123.08061	9.8
123.11707	8.8
126.81386	3.3
127.07565	7.8
128.06116	5.1
129.06941	6.4
130.92374	3.2
131.08612	19.8
133.10114	41.4
135.11688	48.1
137.09595	3.4
142.07822	3.3
143.08562	11.3
145.10100	10.4
147.08046	5.9
147.11681	32.2
149.09590	9.8
149.13242	12.0
157.10132	23.4
159.11716	33.3
161.09599	13.8
161.13266	7.4
165.09163	5.7
171.11674	5.1
173.13242	5.6
175.11195	10.2
175.14821	26.4
177.12669	5.3
187.14789	5.8
189.16376	19.8
199.14761	17.4
205.15936	12.8
217.15898	34.8
235.16931	100.0
244.62209	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	235.1691
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
51.86555	0.9
55.01849	1.0
55.05509	6.0
56.96548	2.6
57.03432	2.6
57.07072	15.8
59.04985	3.6
67.05512	8.0
69.03440	1.6
69.07068	10.5
69.40907	9.5
71.04981	3.3
71.08636	1.2
79.05488	9.2
81.06582	1.6
81.07056	26.3
83.04963	3.1
83.08593	2.8
85.06533	1.8
91.05479	15.3
93.07042	27.9
95.04952	3.2
95.08038	1.8
95.08606	19.3
97.06494	2.7
97.10163	1.4
99.04388	1.2
105.07021	25.8
107.04928	1.7
107.08587	25.5
109.06479	6.1
109.10145	12.8
111.04422	1.3
111.08077	2.3
115.05463	1.2
117.07017	5.0
119.08575	23.4
121.06487	3.4
121.10141	13.1
122.10921	3.2
123.04407	2.3
123.08040	2.8
123.11706	12.2
127.07562	2.1
128.06149	1.0
129.06995	4.2
131.08571	21.2
133.06493	3.5
133.10135	21.8
135.08041	6.4
135.11693	12.5
137.09605	2.6
137.13237	3.5
142.07756	3.8
143.08557	7.2
145.10115	8.2
147.04332	1.0
147.08028	5.0
147.11679	11.9
149.09607	3.7
149.13232	2.6
151.07535	2.2
151.11177	1.7
156.09337	1.1
157.10123	11.3
158.10938	1.6
159.11688	9.1
161.09624	7.8
161.13264	5.7
163.14859	2.6
165.09084	1.3
165.83652	1.2
171.11685	3.5
173.13264	12.9
175.07576	1.0
175.11180	6.9
175.14778	8.6
177.12686	1.7
179.10677	12.9
184.12576	1.3
189.12804	2.7
189.16371	12.2
191.14281	3.5
199.14801	13.9
202.59189	1.1
217.12433	1.5
217.15883	26.9
217.19482	4.4
235.16917	100.0
235.20291	8.0
236.17165	1.9
236.66794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Sugikurojinol A
Peak:m/z	Relative Intensity
51.84463	1.0
55.01870	1.4
55.05511	6.7
56.96549	2.4
57.06826	1.2
57.07080	18.8
59.04987	1.5
64.62474	1.0
65.03910	1.2
67.05502	10.0
69.03411	2.7
69.07069	10.9
71.01699	1.3
71.02040	2.3
71.04974	3.3
79.05488	9.6
81.07060	35.0
83.04974	3.9
83.08625	4.9
85.06540	2.0
91.05482	14.0
93.07047	19.0
95.04964	5.0
95.08606	27.7
97.02875	1.6
97.06516	3.1
97.10152	1.4
99.04443	2.3
99.08100	1.1
105.07028	28.5
107.04949	1.6
107.08595	28.6
109.06517	9.3
109.10156	9.0
111.08075	4.8
113.06025	1.6
117.07005	4.7
119.08583	30.5
121.06484	3.9
121.10135	12.3
121.83949	1.0
123.04417	1.4
123.08067	7.3
123.11694	8.5
125.09537	1.5
128.06223	2.7
129.07002	4.0
131.08577	9.6
133.06487	2.9
133.10132	29.3
135.08073	5.1
135.11688	6.2
135.12572	1.0
137.09679	2.4
137.13252	6.2
139.11240	1.7
141.06911	1.1
142.07831	2.4
143.08525	5.5
144.05630	1.1
145.06549	1.3
145.10104	6.4
147.04367	3.1
147.08061	9.9
147.11710	11.5
149.01176	1.1
149.09612	4.3
149.13304	2.5
151.11208	2.2
153.09053	1.4
157.10123	8.7
159.08112	2.5
159.11696	9.4
161.06030	5.8
161.09615	42.3
161.13217	4.8
162.06746	2.3
163.11186	4.3
163.14902	1.5
165.09093	3.3
171.11697	4.1
173.13281	5.9
175.07501	1.1
175.11256	8.2
175.14807	17.8
177.12712	4.3
177.56346	1.0
179.10677	15.6
180.20938	1.1
185.30719	1.3
187.07434	2.1
187.14868	2.1
189.12755	4.5
189.16377	14.0
190.06142	1.2
191.14291	2.5
193.15936	1.5
199.14819	8.7
205.08589	3.0
205.15919	1.2
217.12431	5.1
217.15881	26.0
217.19322	2.1
220.12434	2.0
235.05873	2.1
235.13474	4.9
235.16927	100.0
235.20683	5.4
236.17175	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(1R*,3E,7E,11R*)-(+)-5,5,8-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-1-carboxaldehyde
Peak:m/z	Relative Intensity
53.76924	0.5
55.05507	1.2
55.90450	0.6
57.07077	3.6
65.03940	0.6
65.08584	0.5
67.05504	2.6
69.07055	3.9
71.04996	1.0
71.07703	0.5
79.05480	2.3
81.07061	9.1
82.13713	0.4
83.04976	2.0
83.08594	1.0
86.59396	0.5
86.93453	0.5
91.05487	3.1
93.07060	5.7
93.52327	0.6
95.04967	1.3
95.08611	5.9
97.06481	0.7
98.21558	1.7
105.07035	7.0
107.08604	11.2
109.06531	2.8
109.10146	3.6
111.08089	1.2
119.08594	8.4
121.06512	1.1
121.10166	4.3
123.04422	0.6
123.08064	1.7
123.11718	11.6
127.07579	1.2
129.06966	0.8
131.08577	2.9
133.06494	0.9
133.10135	9.2
135.08067	2.7
135.11685	3.7
137.09567	0.7
137.13228	1.3
142.07785	1.7
143.08580	0.8
145.10149	1.6
147.08086	2.1
147.11682	5.4
149.09641	2.1
151.11209	0.9
156.09375	0.6
157.10143	5.1
158.10883	0.6
159.11670	1.5
161.09637	5.9
161.13283	1.3
163.11203	4.8
163.14819	2.3
171.11710	0.7
173.13242	2.2
175.11214	6.2
175.14830	4.6
179.10684	2.5
184.45735	0.5
189.16399	18.0
191.14290	3.8
199.14807	1.1
211.94159	0.6
217.15891	10.5
220.12433	0.7
235.16937	100.0
236.17241	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	235.1693
Annotation	Terrecyclol
Peak:m/z	Relative Intensity
55.01851	1.1
55.05516	7.9
56.96539	1.6
57.03421	2.1
57.06791	0.8
57.07074	16.4
59.04990	1.2
67.05501	5.7
69.03413	4.1
69.07067	6.5
69.72398	5.6
71.04980	2.6
73.02888	1.4
79.05502	5.2
81.03415	1.5
81.06634	1.3
81.07066	12.2
83.04986	16.0
83.08596	2.4
84.08142	0.9
85.02888	2.6
85.06516	2.3
87.04489	1.5
89.05914	0.8
91.05479	11.4
93.07044	20.1
94.07355	1.0
95.04968	4.5
95.08598	10.4
97.02893	2.5
97.06518	3.7
97.10162	0.8
98.21487	1.1
98.97571	2.4
99.04420	2.8
101.06007	1.7
103.05455	1.6
105.07030	24.1
107.04937	1.5
107.07863	1.2
107.08597	17.8
108.08873	0.9
109.06523	9.2
109.10147	8.9
111.04472	1.3
111.08076	1.4
113.06016	1.1
115.05468	1.2
116.98645	1.2
117.07008	3.3
118.08672	2.0
119.04967	1.4
119.08583	27.4
121.06509	5.4
121.10135	14.6
121.23705	0.9
123.04415	1.4
123.08089	4.8
123.08858	0.8
125.09581	1.3
127.03917	1.1
128.06226	1.3
129.06961	3.4
131.08580	7.1
133.04958	1.9
133.06496	2.0
133.10129	19.9
135.08072	4.9
135.11681	10.5
137.09593	2.5
139.03882	1.4
141.07065	1.0
142.07779	4.9
143.08572	5.1
144.09312	1.9
145.10101	7.2
146.07262	1.0
147.04439	1.3
147.08063	5.1
147.11682	15.6
149.09630	3.0
149.13242	2.6
151.07536	1.1
151.11162	4.2
153.09099	2.3
156.09351	0.9
157.10129	21.9
158.99608	1.1
159.08080	1.3
159.11702	18.0
161.05975	1.9
161.09615	17.1
161.13237	12.8
163.11198	1.9
163.14841	1.5
165.09036	1.3
171.11713	3.2
173.13219	5.3
175.07553	2.5
175.11194	17.0
175.14809	11.3
177.00706	2.3
177.12747	3.4
179.10690	10.8
184.12488	1.1
188.92448	2.4
189.05507	1.2
189.09096	1.4
189.12776	6.1
189.16380	10.4
191.14320	1.2
199.14810	14.6
211.94058	3.1
217.08566	1.8
217.12434	2.0
217.15880	52.7
218.11169	1.4
235.07657	1.6
235.13167	3.1
235.16931	100.0
235.20708	2.8
236.17134	2.4
238.82315	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27549	0.2
58.06593	2.2
59.07383	2.4
70.90511	0.5
73.05804	0.2
80.69534	0.2
118.08656	100.0
119.08989	0.8
132.10194	0.7
136.94012	0.7
149.01132	0.5
186.08859	0.2
191.42671	0.2
235.06142	0.3
235.16510	1.2
236.08064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71729	0.2
56.96550	0.3
58.06587	2.6
59.07379	2.0
71.30220	0.3
118.08658	100.0
119.08986	0.6
132.10233	1.0
136.94000	0.2
170.15521	0.2
212.26003	0.2
235.16515	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60004	0.1
57.07080	1.0
57.07322	0.2
58.06598	2.7
59.06113	0.1
59.07386	2.4
59.46769	0.1
61.94809	0.1
67.05492	0.1
70.76199	0.4
79.05504	0.1
81.07068	0.4
85.07668	0.1
91.05484	0.2
92.76220	0.1
93.07008	0.1
95.08593	0.3
97.06531	0.1
98.07159	0.1
105.07050	0.1
107.08653	0.1
109.07643	0.1
110.07146	0.1
112.08788	0.1
118.08661	100.0
119.09058	0.6
123.08006	0.2
125.08246	0.1
127.37463	0.1
132.10176	1.0
136.08844	0.1
147.11761	0.1
149.08154	0.1
175.14903	0.1
179.10689	0.5
192.12514	0.1
235.13298	0.3
235.14117	0.2
235.16823	4.7
235.20514	0.2
236.17050	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	235.133
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.02248	0.5
52.28168	0.5
53.03801	0.6
53.04026	1.1
55.01686	1.0
55.01968	2.0
55.05319	1.0
55.05606	4.5
55.14376	0.5
55.49129	0.5
57.03503	0.4
57.07164	2.0
65.04048	1.5
66.78174	0.4
67.05217	1.2
67.05603	8.5
69.03130	1.3
69.03534	9.4
69.06750	2.5
69.07169	18.2
70.74732	1.6
71.05070	0.8
77.04022	0.8
79.05107	0.6
79.05599	9.1
79.66101	0.4
81.03508	0.5
81.06647	1.5
81.07166	14.8
83.05091	6.6
83.08713	1.1
85.02995	0.5
85.06607	1.0
91.04977	2.0
91.05596	23.6
93.03490	0.7
93.06529	1.0
93.07155	19.6
95.04987	6.9
95.08723	7.7
96.09055	0.8
97.02906	2.7
97.06540	6.2
103.05588	1.9
105.03489	0.7
105.07036	42.5
107.04971	4.7
107.07924	0.7
107.08596	15.2
109.06525	11.6
109.10173	3.5
110.10583	0.7
111.04448	8.9
111.08090	2.2
115.05498	1.0
116.06312	0.6
117.07022	5.2
119.04950	6.6
119.07388	1.5
119.07806	2.2
119.08588	56.8
121.06515	23.2
121.10144	6.0
123.04536	1.3
123.08076	5.7
123.11852	0.5
125.06137	1.8
125.09634	11.1
128.06210	2.7
129.07010	6.3
130.07899	1.1
131.04996	0.9
131.08580	8.9
131.09483	0.5
133.06503	14.9
133.10138	14.6
135.04497	0.9
135.08057	6.9
135.11783	1.3
137.05980	7.3
137.09610	4.6
139.07542	4.1
141.07086	1.2
142.07806	4.6
143.08571	9.3
145.06604	2.2
145.10138	10.7
146.07312	0.5
147.04417	8.6
147.08054	36.1
147.11699	27.4
148.08754	0.6
149.06068	2.1
149.09650	2.7
149.13330	0.6
151.03877	2.2
151.07539	6.9
151.08618	0.5
155.08630	1.2
156.09370	9.8
156.10538	0.7
157.06537	0.9
157.10141	9.8
158.07346	0.6
158.10936	0.7
159.08064	5.1
159.11700	2.2
160.08922	2.0
161.06015	5.6
161.09644	6.3
161.13261	22.3
163.07535	2.3
163.11259	0.6
165.05559	3.2
165.06969	0.7
165.09137	7.2
166.07832	0.6
171.08128	0.9
171.11699	21.4
173.09647	9.1
173.13249	2.8
174.10342	2.4
175.07603	5.1
175.11200	26.5
176.11639	0.5
177.09137	3.0
177.12711	2.7
179.07095	1.0
179.10654	1.2
181.10187	2.2
183.06577	0.6
184.08856	1.6
189.09152	1.8
189.12759	48.9
190.13133	0.6
191.10760	0.7
191.14307	5.7
192.09293	0.6
193.12248	6.0
199.11188	14.8
202.09894	1.0
205.10184	0.8
207.13766	3.0
217.12257	100.0
218.12584	1.1
220.12344	2.6
235.13264	46.8
235.16769	7.5
236.13634	0.5
246.46088	0.5
253.14470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1092
Annotation	Polyprenyl phosphate
Peak:m/z	Relative Intensity
50.43148	0.9
57.07065	3.9
67.05507	8.5
69.07069	11.7
71.08620	1.0
71.19650	2.0
79.05485	4.1
81.07053	100.0
95.08603	45.6
98.98470	4.8
108.99934	0.9
109.10152	3.0
115.49540	1.0
117.54983	0.9
137.13255	37.1
161.12175	1.2
190.89645	1.0
219.70523	1.2
232.77992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1094
Annotation	Polyprenyl phosphate
Peak:m/z	Relative Intensity
55.05508	2.3
56.96562	1.3
57.03421	0.7
57.07079	6.8
57.30571	0.6
67.05507	11.2
68.83272	0.6
69.03417	0.9
69.07070	12.9
70.87840	1.6
70.88178	1.0
71.08631	0.9
75.55119	0.7
79.05487	6.9
81.07057	100.0
82.07378	0.7
83.04974	1.4
91.05499	1.1
93.07052	2.8
95.08611	49.7
98.97580	2.1
98.98458	4.9
105.07043	1.8
107.08608	1.6
109.10131	3.3
113.35840	0.7
116.98655	1.3
119.01880	0.7
119.08585	1.2
123.04551	0.7
133.10165	0.8
135.11743	0.9
137.13254	38.4
145.10213	0.8
147.11638	0.7
157.49236	0.8
158.99658	0.8
177.00734	0.8
179.10693	1.6
217.15828	0.7
235.11156	1.2
235.13280	1.5
235.16911	8.9
236.55461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.3
57.07069	4.1
67.05510	7.9
69.07076	9.6
71.04121	1.2
71.04462	2.1
71.08620	1.2
79.05494	4.5
81.07061	100.0
81.74687	1.0
87.49048	0.9
88.00655	0.9
90.77505	1.0
93.07043	1.9
95.08611	43.5
98.98465	4.8
109.10159	2.6
136.10048	1.0
137.13263	40.9
193.71300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.4
57.07064	4.0
61.80235	1.2
67.05502	7.3
69.07069	9.5
69.26025	6.9
69.26456	3.9
72.93253	1.0
79.05476	4.3
81.07054	100.0
85.11491	1.0
89.22363	1.1
90.62003	1.0
91.46916	1.2
95.08608	43.5
98.98438	3.8
104.25947	1.1
109.10172	3.1
137.13257	46.9
138.13589	1.8
139.68748	0.9
210.06436	1.1
241.55052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0962
Annotation	(+)-Goniotharvensin
Peak:m/z	Relative Intensity
52.52779	0.8
55.01867	1.4
55.05513	4.2
56.36457	0.8
57.06873	0.7
57.07078	8.2
59.04981	1.1
60.23164	0.9
61.13868	0.8
67.05502	5.9
69.03435	1.1
69.07058	6.1
69.50732	7.5
71.04969	3.5
78.76138	0.8
79.05503	5.2
81.07056	16.3
83.04984	1.4
83.08594	3.3
83.25037	0.8
85.06531	1.1
91.05468	6.4
93.07040	10.4
95.04976	2.0
95.08605	27.7
97.06515	3.2
98.20762	1.9
99.08106	1.2
99.38486	0.9
105.07024	11.2
107.04929	2.2
107.08595	17.8
109.06509	2.0
109.10145	10.9
111.08072	3.3
115.05434	1.2
119.07778	1.5
119.08585	18.1
121.06490	2.6
121.10155	9.3
123.04417	1.3
123.08097	1.5
123.11720	2.7
127.11192	3.4
128.06163	1.5
129.07010	1.3
131.04906	3.5
131.08549	2.4
133.09142	0.9
133.10127	15.8
134.75694	0.8
135.08038	1.6
135.11685	3.7
137.09573	1.3
137.13239	4.8
139.07550	1.0
140.21437	0.9
143.08556	1.6
145.10069	2.1
147.04390	6.2
147.08047	5.9
147.11671	6.8
149.05980	0.9
149.09608	1.1
149.13254	15.0
151.11174	1.0
153.09090	2.9
157.10095	2.7
159.08017	1.4
159.11659	2.4
161.05963	3.1
161.09596	1.8
161.13284	5.7
163.04094	0.8
171.08151	1.3
171.11646	1.5
173.13249	1.6
175.07532	22.5
175.11179	3.2
175.14775	5.9
177.12759	2.1
179.10768	3.9
189.12772	3.8
189.14758	1.6
189.16389	27.2
189.18092	1.5
191.14140	1.0
191.17917	2.1
199.14824	1.7
204.07814	1.5
207.17419	1.3
217.08630	8.9
217.15900	8.6
217.19388	5.8
235.09648	100.0
235.16922	46.9
235.20486	10.2
236.10046	1.3
236.17395	0.9
246.27730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.5
57.07076	2.1
58.06588	2.0
59.07389	2.1
60.04535	0.3
61.02923	0.7
67.05506	0.3
69.03436	0.3
69.07099	0.2
71.04964	0.4
71.58490	0.3
73.02923	0.4
74.06063	0.4
81.07052	0.6
84.04517	0.4
84.08142	0.5
85.02914	0.8
90.43969	0.2
91.05498	0.3
93.07022	0.3
94.31765	0.2
95.08604	0.4
96.50461	0.2
97.02918	0.5
97.43451	0.2
100.02491	0.2
101.00848	0.2
102.05550	0.2
102.96159	0.2
105.07042	0.3
107.08598	0.4
109.02854	0.2
109.10178	0.3
111.04507	0.2
118.08658	100.0
119.01926	1.4
121.01694	0.4
121.10181	0.2
123.04449	0.3
130.09911	0.2
131.01886	0.3
132.10196	0.8
133.03534	0.3
136.94040	1.0
137.02956	0.5
145.03496	0.4
149.01210	0.7
152.28961	0.2
157.03581	0.3
161.02975	0.7
175.04457	0.2
175.14909	0.2
179.10678	1.5
186.06122	0.3
188.97058	0.3
191.88684	0.2
203.10376	0.3
217.12065	0.4
217.19505	0.3
218.11005	0.4
235.06322	1.5
235.16878	8.1
235.20610	0.5
236.08026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.9176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86098	1.1
57.07075	2.1
57.64228	1.1
69.62034	6.3
84.08147	2.1
95.08625	1.2
98.97603	1.8
116.98627	1.3
120.53410	1.0
132.08046	1.0
134.99603	1.3
136.94035	100.0
152.84929	1.1
161.03055	1.4
167.52829	1.1
174.98521	1.0
179.10733	2.0
185.70436	1.1
212.01633	1.4
235.17009	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	235.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.5
57.07076	2.1
58.06588	2.0
59.07389	2.1
60.04535	0.3
61.02923	0.7
67.05506	0.3
69.03436	0.3
69.07099	0.2
71.04964	0.4
71.58490	0.3
73.02923	0.4
74.06063	0.4
81.07052	0.6
84.04517	0.4
84.08142	0.5
85.02914	0.8
90.43969	0.2
91.05498	0.3
93.07022	0.3
94.31765	0.2
95.08604	0.4
96.50461	0.2
97.02918	0.5
97.43451	0.2
100.02491	0.2
101.00848	0.2
102.05550	0.2
102.96159	0.2
105.07042	0.3
107.08598	0.4
109.02854	0.2
109.10178	0.3
111.04507	0.2
118.08658	100.0
119.01926	1.4
121.01694	0.4
121.10181	0.2
123.04449	0.3
130.09911	0.2
131.01886	0.3
132.10196	0.8
133.03534	0.3
136.94040	1.0
137.02956	0.5
145.03496	0.4
149.01210	0.7
152.28961	0.2
157.03581	0.3
161.02975	0.7
175.04457	0.2
175.14909	0.2
179.10678	1.5
186.06122	0.3
188.97058	0.3
191.88684	0.2
203.10376	0.3
217.12065	0.4
217.19505	0.3
218.11005	0.4
235.06322	1.5
235.16878	8.1
235.20610	0.5
236.08026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1853
Annotation	AJ 76
Peak:m/z	Relative Intensity
53.62167	2.0
55.05494	7.5
56.05019	3.3
57.07066	4.8
58.06594	3.0
60.84650	2.2
67.05511	10.8
69.06779	1.9
69.07076	23.2
70.06602	2.4
70.92761	5.5
71.75137	2.1
79.05476	9.0
80.04997	3.3
81.07058	19.9
82.06583	3.6
82.30186	1.9
83.04969	3.3
83.08618	2.8
86.06041	2.8
91.05476	18.6
93.07052	21.0
94.06598	4.5
94.07315	2.3
95.04967	4.3
95.08600	13.4
96.04484	7.6
96.08138	5.3
104.40318	1.9
105.07036	38.9
106.07349	2.1
107.08612	15.2
108.08149	3.8
109.06524	4.1
109.10156	12.4
110.06053	2.8
111.08001	2.0
112.07592	2.8
117.07008	5.1
118.08660	73.7
119.08585	24.9
120.08120	2.5
121.10144	12.2
122.09666	2.6
123.11656	3.7
124.07587	4.0
129.07008	4.1
131.08563	13.8
132.08084	3.8
133.10147	24.3
134.09602	3.0
135.11707	4.8
136.11211	2.6
136.94070	3.7
137.13286	3.4
142.12248	5.3
143.08534	4.2
145.10138	13.8
146.09592	3.0
147.11679	8.4
148.11179	3.9
150.09102	5.0
152.10693	9.3
157.10127	7.8
159.11687	14.5
160.11069	3.0
161.08238	4.8
161.09531	3.4
161.11974	4.2
161.13264	56.1
173.13239	5.5
174.12807	7.2
175.07431	3.0
175.11226	3.9
175.14851	21.3
178.12253	5.4
179.10631	2.4
189.16354	4.7
201.16371	8.9
202.15840	3.6
206.15439	8.1
216.17464	4.4
217.15973	3.4
217.18086	3.6
233.61406	2.4
234.15350	6.7
234.18539	100.0
234.21980	10.3
235.16838	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	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03938	2.5
55.05502	6.4
57.07070	2.8
65.03954	1.3
67.05506	11.2
69.03419	2.0
69.07063	5.7
69.83797	6.5
71.05000	5.9
77.03909	1.0
78.39520	0.9
79.05492	17.6
81.03441	1.0
81.07056	24.4
83.04990	1.8
83.08611	1.4
85.06546	1.7
87.04491	0.9
90.32489	0.8
91.05477	23.1
92.06265	1.1
93.07043	26.0
95.04974	4.2
95.08606	26.4
97.06535	4.8
99.04458	3.1
103.05473	1.6
105.07036	50.1
107.04942	2.5
107.08595	20.7
109.06494	3.2
109.10162	13.0
111.04444	2.6
111.08070	2.7
113.05969	1.4
115.05453	1.9
116.06236	1.0
117.07009	10.1
118.07719	1.0
119.08582	51.7
121.06496	3.7
121.10155	9.5
123.08099	0.9
125.06028	4.7
125.09684	1.0
129.06989	3.1
130.07753	3.1
131.08569	34.3
133.10129	86.7
134.10925	13.7
135.08072	4.2
135.11682	1.5
136.05106	0.9
137.05959	1.0
139.07526	2.4
143.08542	5.4
144.09351	3.3
145.06508	1.8
145.10124	54.1
146.10869	2.3
147.08018	1.0
147.11684	10.0
149.05983	3.4
149.09560	0.9
151.07515	1.2
155.08592	1.5
156.09363	3.9
157.10127	4.4
158.10905	6.9
159.08080	4.3
159.11691	25.4
161.09589	1.0
161.13254	3.5
163.07562	5.9
171.11681	15.5
172.12482	2.8
173.09865	4.1
173.13264	73.9
174.13942	2.5
177.09116	7.3
182.10892	1.8
186.10396	1.6
187.11327	1.8
187.14819	69.7
189.16382	3.1
191.10654	2.0
197.13251	6.7
200.11926	1.5
205.15894	1.8
215.14322	17.5
233.15364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03941	1.7
54.65266	1.1
55.01865	3.2
55.05502	5.5
55.97253	1.2
56.96561	1.2
57.07071	3.4
59.04995	3.4
65.03927	2.2
66.46858	1.3
67.05508	12.8
69.03431	11.9
69.07063	9.7
71.04984	3.6
71.59091	1.6
71.59510	1.7
79.05494	18.3
81.07052	18.6
83.04971	5.1
83.08598	2.7
85.02906	2.0
85.06554	2.6
91.05478	32.9
93.07049	15.7
95.04964	30.6
95.08608	13.2
97.02863	2.1
97.06512	1.4
101.70901	1.3
103.05441	2.1
105.07023	27.8
107.04950	10.3
107.08585	23.7
109.06503	9.0
109.10144	12.2
111.04491	1.3
111.08078	1.4
115.05447	5.8
116.06227	3.5
117.07021	20.0
119.04987	1.6
119.08579	100.0
121.06476	7.5
121.10150	17.9
123.08072	5.5
123.11689	6.1
125.09636	1.2
128.06224	3.4
129.07011	14.1
130.07796	4.5
131.04884	3.1
131.08566	50.6
133.06488	9.0
133.10130	13.4
135.08051	9.3
135.11702	3.4
137.09634	1.9
141.07005	4.5
142.07758	4.3
143.08554	11.5
144.05704	4.1
144.09288	1.4
145.06485	11.4
145.10123	42.2
146.07292	1.4
147.08058	5.6
147.11687	12.6
149.09621	11.5
149.13275	2.2
151.07591	1.5
151.11185	2.2
153.06990	1.2
155.04848	1.8
155.08527	10.2
156.09357	4.2
157.06479	2.3
157.10129	11.8
158.07211	2.7
158.10875	3.0
159.04408	2.0
159.08054	23.9
159.11668	13.3
160.08833	1.5
161.09627	3.8
161.13249	3.8
163.07462	1.9
163.11145	1.5
167.08540	3.8
169.10153	4.3
171.11653	7.9
172.05240	1.9
172.08835	1.8
173.09618	12.6
173.13290	12.0
174.01506	1.2
174.06770	5.5
175.07570	2.5
175.11237	6.4
177.09091	7.0
177.12741	1.3
181.01308	1.3
182.10913	5.4
185.13220	2.3
186.10355	1.4
187.07547	4.6
187.11172	3.0
187.14813	17.5
189.09116	3.8
189.12773	7.1
189.16364	2.0
191.10687	1.6
191.14310	10.9
197.13245	13.2
199.09677	1.3
205.08591	2.7
205.15921	2.4
215.06963	7.2
215.11020	1.4
215.14302	36.8
215.17975	4.0
233.08044	11.4
233.11771	2.5
233.15363	73.3
233.18732	8.9
234.15753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.08292	1.0
51.33427	1.1
53.03954	2.0
55.05515	6.5
56.96566	1.9
57.07069	2.2
59.04989	1.1
62.33840	1.3
67.05223	1.2
67.05510	13.8
69.03424	2.5
69.07059	4.1
69.57209	1.2
69.57524	9.6
71.05006	5.9
79.05496	16.6
81.07059	22.1
83.04987	2.4
83.08607	1.4
85.06564	1.9
89.34686	1.1
91.05487	21.7
93.07044	25.2
95.04963	3.3
95.08052	2.3
95.08614	27.7
97.06516	3.2
97.10223	1.2
99.04484	2.0
103.05459	1.9
105.07037	46.5
106.02087	1.0
107.04986	2.5
107.08595	20.8
109.06494	3.2
109.10156	14.8
111.04481	1.6
111.08036	1.2
113.06023	1.3
115.05513	2.2
117.07008	11.5
118.80479	1.1
119.04875	1.4
119.08588	47.2
121.06506	3.5
121.10161	10.2
123.08059	1.8
125.06001	4.2
129.06993	2.9
130.07829	2.4
131.08585	36.6
133.10136	84.8
134.10912	10.8
135.08064	3.1
135.11687	3.5
137.06006	1.6
137.09641	1.3
139.07520	2.2
143.08565	5.1
144.09334	3.5
145.06458	1.6
145.10127	51.2
146.10852	1.6
147.08029	3.1
147.11685	10.7
149.06038	2.4
149.09615	2.1
156.09459	2.5
157.10115	3.3
158.10941	7.9
159.08073	5.7
159.11702	24.5
161.13292	3.8
163.07564	5.0
171.11691	11.9
172.08826	1.4
172.12497	3.9
173.09683	3.5
173.13277	61.4
175.11217	1.2
177.09143	7.0
182.10950	1.2
186.10431	1.4
187.11194	4.4
187.14841	63.8
189.16245	2.6
191.10623	1.9
197.13261	4.6
198.10847	3.1
205.15948	1.4
209.61581	1.2
213.64648	1.2
215.14322	19.2
218.03337	1.2
233.15382	100.0
239.40559	1.2
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
51.42955	1.0
53.03937	2.4
55.05508	7.2
55.95553	1.1
57.07070	1.5
59.47697	1.2
67.05506	10.0
69.03445	1.8
69.07076	5.7
69.42712	1.9
69.43119	9.6
71.04978	3.4
77.09812	1.6
79.05490	10.4
81.07059	25.4
85.06561	1.5
91.05479	20.6
93.07036	25.2
93.96498	1.2
95.04916	1.9
95.08606	25.3
97.06525	2.6
98.21487	2.4
99.04411	1.2
102.75182	1.2
105.07029	44.8
106.02795	1.2
107.04901	2.1
107.08597	18.9
109.06500	1.9
109.10155	13.3
111.04468	1.6
112.49098	1.2
115.05415	1.5
117.07043	10.1
119.08578	36.4
121.06483	2.6
121.10136	9.5
123.08060	1.6
125.05991	3.7
129.07016	2.0
130.07831	1.3
131.04875	1.4
131.08566	37.7
133.06480	2.0
133.10126	56.7
134.10934	7.1
135.08047	2.8
135.11700	3.0
137.05983	3.0
139.07495	3.2
143.08551	5.9
144.09360	2.2
145.06459	2.0
145.10120	54.6
147.11687	13.1
149.05975	4.2
151.07564	1.9
155.08589	1.8
156.09351	1.4
157.10133	4.0
158.10878	5.9
159.08018	5.7
159.11703	26.9
161.09648	1.5
161.13249	10.4
163.07565	6.9
165.09106	1.6
169.10068	2.0
171.11673	10.0
172.12515	3.0
173.09592	4.4
173.13257	38.5
175.11180	1.5
177.09128	9.8
182.10936	2.8
186.10403	1.7
187.11180	4.4
187.14819	100.0
188.15125	2.2
189.16386	2.4
191.10626	3.9
197.13188	7.5
205.15919	3.3
215.14333	27.4
233.15361	90.0
233.19083	3.4
241.54169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03938	2.3
55.01864	1.6
55.05521	5.4
56.96545	1.8
57.07061	2.9
59.04990	1.0
63.10130	0.8
65.03933	1.8
67.05177	1.0
67.05508	13.5
69.03427	5.7
69.07063	5.2
71.04983	3.3
71.28836	2.0
72.15936	0.8
77.03942	1.0
79.05491	27.8
81.07056	13.5
83.04960	3.5
83.08621	2.9
84.08628	0.8
85.02877	1.9
85.06546	3.3
91.05486	12.2
93.07042	11.5
95.04972	24.5
95.08041	1.6
95.08606	20.1
95.20642	1.0
97.06529	2.5
101.06020	0.9
105.07027	21.7
105.07679	1.8
107.04955	28.6
107.08594	15.2
109.06513	3.8
109.09449	1.6
109.10155	22.8
111.04435	3.0
111.08071	3.0
113.06009	1.6
115.05425	1.5
117.07010	7.0
119.08581	21.7
121.06490	5.2
121.10124	5.8
123.08070	3.4
123.11678	1.1
125.05972	1.9
125.09653	1.8
128.06236	0.9
129.07002	4.4
130.07806	1.1
131.08563	20.9
133.06483	3.2
133.10126	11.2
135.08031	3.9
135.11713	4.3
137.05986	0.9
137.09615	4.1
139.07507	1.2
141.06961	1.1
142.07811	2.5
143.08565	3.6
144.09332	0.9
145.06485	2.7
145.10126	22.2
146.07190	1.1
146.10980	0.9
147.08061	10.9
147.11700	15.6
149.09641	5.2
149.13292	2.5
151.07533	3.3
151.11194	1.0
153.09068	1.2
155.08560	1.3
156.09294	1.4
157.10149	6.5
158.10893	1.5
159.08081	5.4
159.11700	9.2
160.08777	1.3
161.09624	3.1
161.13295	8.2
163.07545	1.0
163.11180	5.3
169.10083	1.6
171.11755	4.5
172.08786	1.1
173.08231	1.3
173.09596	6.6
173.13261	14.1
174.03574	1.6
175.11185	16.9
177.09077	3.5
187.11160	2.5
187.14844	15.2
189.12767	8.2
189.16397	1.8
191.03481	1.7
191.10672	1.5
191.14299	32.7
197.13255	3.7
198.09305	1.1
205.08568	1.3
205.15964	1.5
215.07130	1.0
215.10725	1.1
215.14319	19.1
215.17825	1.6
217.15878	0.9
233.08003	4.5
233.11678	3.6
233.15370	100.0
233.18710	6.7
247.80095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Turmeronol B
Peak:m/z	Relative Intensity
53.03936	0.6
55.01871	3.1
55.05509	13.7
55.27468	0.3
57.07075	4.3
59.04984	0.7
61.01158	0.6
61.47221	0.3
63.67028	0.3
64.23413	0.3
67.05505	2.6
69.03421	2.1
69.07065	1.2
70.09235	1.5
71.04967	0.4
72.04515	1.7
78.03782	1.8
79.05499	2.1
81.07049	3.1
83.04978	100.0
84.05310	0.5
85.06538	4.9
91.05476	4.8
93.07037	5.6
95.04974	2.0
95.08610	3.4
97.02876	0.7
97.06560	0.5
102.03756	2.2
102.91300	0.3
103.05484	0.5
105.07037	5.7
107.04975	0.5
107.08582	2.7
109.06537	1.9
109.10145	1.9
114.03777	0.6
114.09158	1.2
115.05501	0.4
116.06229	0.6
117.07018	1.3
119.08581	3.6
120.04736	0.3
121.06508	3.4
121.10136	3.7
123.08064	7.6
123.11746	1.5
129.07008	1.1
130.78706	0.3
131.06407	1.3
131.08565	11.6
132.04797	1.7
132.38136	0.3
133.06487	0.5
133.10147	2.1
135.08083	1.6
135.11655	1.0
137.09605	1.1
143.08565	0.6
145.06528	1.2
145.10118	3.5
147.08032	0.8
147.11684	3.5
149.07477	6.1
149.09615	15.2
149.13281	0.4
151.11169	2.7
156.10204	9.3
157.10197	0.8
157.94588	0.3
159.08080	3.3
159.11708	2.0
161.13277	0.5
163.11168	1.2
171.11671	0.8
172.05203	0.4
172.08829	0.4
173.05986	0.7
173.09584	0.6
173.13274	2.1
175.11192	1.0
177.09100	19.6
187.11192	0.6
187.14825	2.5
191.10629	0.4
191.14272	0.5
197.05971	0.4
197.13214	0.7
202.91206	0.3
205.08517	0.5
205.15918	3.5
215.06961	0.5
215.14331	1.6
215.17963	1.0
233.08113	2.4
233.13293	2.6
233.15352	49.5
233.19077	1.8
234.15709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
52.54553	1.6
53.03946	2.4
55.05497	6.9
57.07075	2.6
67.05511	13.0
69.03407	2.2
69.07063	5.2
70.06288	7.2
71.04981	5.7
76.84635	1.8
79.05496	16.5
81.07071	22.6
91.05486	19.6
93.07059	21.2
95.04967	3.1
95.08607	27.7
98.21471	3.5
99.04478	1.9
105.07041	44.8
106.07806	1.9
107.08595	23.6
109.06470	2.6
109.10160	13.0
109.10829	1.7
111.08099	2.2
115.05446	2.2
117.07053	9.7
119.08591	57.4
121.06496	2.3
121.10167	6.9
125.06005	3.9
129.07033	4.0
129.58971	1.9
130.07823	2.3
131.08585	33.6
133.10146	100.0
134.10953	12.4
135.08101	2.8
135.11705	2.3
138.59207	2.0
139.07475	2.3
143.08569	8.3
144.09328	4.2
145.06468	2.5
145.10130	48.8
146.10919	3.1
147.11664	10.4
149.05952	2.4
155.08514	2.2
156.09355	2.2
157.10161	2.1
158.10942	7.2
159.08092	4.1
159.11691	22.9
161.13301	2.5
163.07596	5.5
171.11740	13.0
172.12425	4.3
173.09619	2.4
173.11751	3.8
173.13271	68.9
177.09113	7.4
182.10858	3.0
187.11206	3.0
187.14842	61.9
189.16400	5.1
191.10652	1.8
197.13283	4.7
206.32346	1.6
215.14325	18.6
233.15379	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hofmeisterin III
Peak:m/z	Relative Intensity
51.68718	0.7
53.03939	0.8
55.01875	2.6
55.05514	12.6
59.62301	0.7
60.91614	0.6
67.05511	1.6
69.03451	1.1
69.28429	7.3
79.05490	1.0
81.07052	1.4
81.49692	0.8
83.04984	100.0
91.05477	2.1
93.07053	2.2
95.04955	1.4
95.08606	2.6
95.98904	0.8
97.26585	0.6
105.07032	3.1
107.08591	2.1
109.06511	2.0
109.10131	1.4
110.87477	0.7
119.08604	1.4
121.06528	2.4
121.10146	2.6
123.08061	5.6
123.11711	1.1
131.08586	8.4
133.10104	1.0
135.08054	1.0
137.09616	1.0
145.10103	1.3
147.11684	2.0
149.09624	14.7
151.11192	3.2
159.08060	2.3
159.11777	0.7
168.64171	0.7
177.09126	21.4
187.14780	1.6
205.15897	3.3
208.39511	0.7
233.15372	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	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03936	2.5
53.56651	0.9
55.05506	5.8
57.07071	2.2
57.99833	0.9
63.35629	0.9
65.03942	1.3
66.57980	1.0
67.05512	13.2
68.14790	1.0
69.03423	1.9
69.07057	5.6
71.05001	7.0
71.38280	1.8
71.83022	1.0
74.22649	1.0
79.05061	1.4
79.05495	18.5
81.07056	24.7
83.04993	1.2
83.08611	1.5
85.06536	2.6
87.04419	1.1
91.05478	24.4
93.07044	24.9
95.04960	4.1
95.08610	26.1
97.06518	4.4
99.04456	1.3
103.05460	1.4
105.07028	48.9
106.07835	1.4
107.04964	2.2
107.07880	1.4
107.08595	22.9
109.06496	3.5
109.10155	12.6
111.04449	3.3
111.08064	2.2
113.05976	2.0
115.05448	2.0
116.46985	1.1
117.07011	11.4
119.08578	57.8
121.06500	4.1
121.10154	8.5
125.06014	6.7
127.53326	1.1
129.06993	4.1
130.07759	2.3
131.08566	40.3
131.48909	1.0
133.10132	89.7
134.10175	0.9
134.10934	12.2
135.08064	3.6
135.11668	2.2
137.09590	2.0
139.07549	2.4
143.08572	7.0
144.09308	3.0
145.06480	1.2
145.10124	55.1
146.10944	1.6
147.08008	1.9
147.11703	11.6
149.05957	3.6
151.07536	1.5
155.08582	1.7
156.09367	3.0
157.10107	4.9
158.10892	8.3
159.08052	3.8
159.10451	1.7
159.11699	26.4
161.13263	3.5
163.07565	6.0
171.11702	13.3
172.12505	2.0
173.09616	4.3
173.13268	72.1
174.13878	1.1
177.09119	7.8
182.11017	1.5
186.10397	2.4
187.11218	2.4
187.14827	70.8
189.16348	4.7
191.10680	2.2
197.13356	5.9
215.14330	16.4
233.15364	100.0
247.56078	0.9
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	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03946	2.0
55.05508	7.9
57.07060	3.0
57.19188	0.7
59.04992	0.7
65.03950	1.1
67.05502	14.4
69.03413	2.9
69.07066	6.1
71.04996	6.1
77.06015	0.6
79.05054	1.2
79.05495	17.5
81.07058	28.4
83.04980	1.3
83.08610	1.7
85.06526	2.2
87.04471	1.1
91.05482	25.2
92.06282	0.9
92.45373	0.7
93.06472	1.4
93.07047	27.7
95.04987	5.0
95.08608	30.1
97.06536	3.6
99.04451	2.0
103.05458	1.7
105.07035	54.0
106.07814	1.2
107.04929	2.1
107.08601	25.7
108.09417	0.8
109.06505	3.2
109.10163	17.1
111.04436	2.6
111.08081	2.4
113.06046	0.8
115.05434	2.5
116.06225	1.4
117.05608	0.7
117.07015	10.0
118.07841	1.1
119.08585	56.4
121.06497	4.5
121.10143	8.5
123.08039	1.4
125.05991	6.3
128.06204	1.6
129.07013	3.4
130.07767	2.6
131.04906	0.9
131.08571	39.9
133.06548	1.6
133.10135	90.1
134.10931	10.9
135.08037	4.0
135.11694	2.9
137.09676	0.8
139.07544	3.0
142.07739	0.8
143.08562	9.1
144.09358	4.5
145.06520	2.6
145.10130	54.5
146.10844	2.2
147.08032	1.9
147.11700	12.9
149.05992	3.3
149.09677	1.9
151.07571	2.8
151.11176	0.8
153.09143	1.0
155.08559	2.5
156.09357	4.0
157.10150	4.2
158.07298	0.9
158.10930	8.5
159.08060	5.3
159.11694	24.8
161.09599	1.2
161.13284	3.3
163.07568	5.7
167.08540	0.9
169.10117	1.2
171.11682	14.6
172.12497	4.1
173.09775	4.6
173.13269	71.3
174.13786	1.3
177.09142	6.7
179.10701	0.9
182.10930	1.1
185.13258	0.9
186.10405	2.0
187.11240	2.4
187.14830	69.7
189.16418	5.3
191.10674	2.2
197.13269	5.6
205.15863	2.0
215.14351	21.9
233.15379	100.0
234.15732	1.0
241.00481	0.7
253.04262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
52.13937	1.2
53.03940	1.8
55.05515	8.8
57.07081	1.5
61.18288	1.2
65.03971	1.5
67.05498	13.8
68.40056	1.4
69.03436	1.5
69.07051	5.9
70.49554	1.4
71.04997	7.1
71.20180	3.3
78.80447	1.2
79.05487	19.1
81.07053	23.7
83.08597	2.7
85.06519	2.3
91.05479	25.0
92.06257	1.7
93.07040	24.5
95.04973	3.3
95.08611	25.4
97.06528	5.6
97.10140	1.7
99.04465	3.2
105.07030	48.5
105.36243	1.3
107.05009	1.7
107.08590	22.7
108.87959	1.2
109.06508	3.0
109.10164	13.2
111.04456	2.3
111.08085	1.7
113.05974	1.8
117.07014	13.6
118.07803	1.8
119.08584	50.6
121.06515	3.7
121.10150	10.3
123.11657	2.1
125.05972	5.5
129.07014	3.6
130.07774	3.0
131.08569	41.2
133.10130	87.1
134.10925	14.1
135.08051	2.5
135.11702	3.8
137.05937	1.4
137.09602	2.4
139.07500	3.5
143.08568	7.7
144.09348	3.7
145.06522	1.7
145.10123	51.6
146.10851	2.2
147.11690	10.4
149.05984	3.1
149.09639	1.4
151.07634	1.8
155.08611	1.8
156.09352	4.6
157.10141	5.0
158.10963	6.1
159.08086	4.1
159.11696	27.3
161.09569	1.4
161.13240	2.8
163.07521	5.6
171.11664	16.3
172.12471	3.0
173.09647	4.1
173.13261	70.6
174.14035	1.7
175.11063	1.3
177.09027	6.3
187.14818	66.9
189.16415	3.9
191.10722	2.0
197.13277	6.0
205.15858	2.9
215.14322	16.9
233.15370	100.0
244.66422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1494
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
51.67697	0.4
55.01860	0.7
55.05495	0.6
56.05024	1.9
56.69175	0.4
56.96566	4.7
57.03424	1.5
58.06605	0.5
61.02910	1.3
69.03418	2.4
69.07060	4.8
70.06590	0.9
71.04974	0.5
71.58166	0.7
72.08163	0.9
73.02919	2.6
74.00670	0.5
74.06071	7.4
81.03408	1.1
84.04506	1.2
84.08139	2.1
84.96029	1.5
85.02908	5.3
86.09702	100.0
87.10033	1.2
91.03946	0.5
96.01597	0.6
97.02870	2.5
98.97575	6.0
99.04496	0.9
101.00819	0.6
102.05547	1.4
105.07107	0.5
109.02891	0.8
110.01267	0.7
110.97561	0.9
112.99117	1.2
114.05519	0.5
115.03887	0.7
116.98624	4.3
117.98994	0.4
119.01912	3.8
120.02039	1.2
120.06567	4.9
120.97870	0.6
121.01668	0.9
125.01795	0.6
127.03934	1.6
128.98624	1.5
130.04974	1.2
131.00180	2.7
131.01840	1.2
132.10252	1.4
133.03525	0.8
134.99660	1.6
137.02962	1.3
138.03049	0.6
140.02287	0.9
143.01833	0.8
145.04982	1.4
146.02328	0.9
146.99649	1.3
149.01215	2.3
152.02347	0.7
158.99617	2.1
159.11731	0.4
161.01489	0.7
161.02945	3.7
162.99126	0.8
165.00658	0.6
170.99744	0.6
173.01250	1.9
173.02919	1.4
176.03418	0.7
177.00694	3.6
182.03329	2.1
182.53569	0.6
182.99704	0.5
183.21455	0.4
186.96783	0.5
187.00363	1.3
187.02740	0.7
187.09923	0.8
187.14551	0.9
189.00740	0.8
190.98711	0.9
191.02280	3.2
191.03972	2.7
191.05725	0.5
201.00656	1.3
203.03928	0.8
204.97911	0.7
205.01421	1.6
205.11047	1.0
208.99745	1.4
210.04611	1.1
212.04404	0.9
215.04054	0.5
215.09549	1.5
215.13898	2.7
219.01764	2.1
221.04985	0.8
233.05240	1.1
233.08589	1.2
233.10529	5.8
233.14929	6.5
233.18584	0.5
234.06476	0.5
234.10138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.05309	0.5
55.05521	7.0
56.86470	0.5
57.07076	1.1
65.03950	1.2
67.05507	2.2
68.76056	0.5
69.03430	0.9
69.07068	2.2
71.10403	0.6
71.10724	0.7
77.03942	0.6
79.05500	13.6
81.03445	0.6
81.07060	3.0
82.04614	0.5
85.02923	0.6
91.05489	19.3
93.07051	100.0
95.04977	5.2
95.08614	0.8
98.97585	1.1
105.04564	1.0
105.07035	7.0
107.04971	0.6
107.08601	61.1
107.70042	0.6
109.06521	3.1
116.57973	0.6
116.98643	0.8
117.06988	0.9
119.06077	1.0
119.08583	3.4
120.09381	0.9
131.08560	0.8
133.10120	0.5
134.99687	0.7
135.11702	51.1
143.08617	0.6
145.10201	0.9
147.04457	1.1
147.11772	0.7
157.10100	0.7
173.13374	1.1
174.56160	0.6
177.00862	0.5
191.84322	0.6
193.53729	0.5
197.88704	0.6
233.08162	1.2
233.15387	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05531	0.4
56.05036	16.8
56.96561	0.8
57.03430	3.0
57.57359	0.3
58.06597	3.4
69.03447	0.5
69.07068	0.8
70.02136	1.8
70.06597	0.6
71.05000	0.7
72.08154	1.5
74.06080	100.0
75.04485	0.7
81.03426	1.0
81.07061	0.6
84.04500	3.3
84.08157	0.7
85.02901	0.6
85.13361	0.3
86.09705	22.3
91.05505	0.4
93.07042	0.6
95.04931	0.4
98.97569	0.6
101.07125	1.6
105.07022	0.9
107.08603	0.6
109.02888	0.4
117.07050	0.3
119.08582	0.6
124.11257	0.4
126.12780	0.5
131.08572	0.6
132.10202	19.4
132.95805	0.4
142.12265	1.1
143.11798	0.7
144.40694	0.4
145.10107	0.9
159.11780	0.5
169.13367	1.5
172.04819	0.4
173.13248	0.7
177.09200	0.5
187.14417	11.5
189.04166	0.4
190.98787	0.5
215.13928	5.2
233.14973	17.4
242.76041	0.4
246.18480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
53.07603	1.0
53.64276	0.9
55.05518	6.3
56.96569	1.4
57.07071	1.2
57.29411	0.9
61.78791	1.0
65.83203	0.8
67.05497	1.8
69.03423	1.5
69.07059	3.4
69.58300	7.9
71.05021	1.0
73.76002	0.9
79.05491	11.5
79.64180	1.0
81.07066	2.6
85.02903	2.6
86.09694	1.6
90.84970	1.0
91.05477	22.1
91.10719	0.9
93.07044	100.0
95.04969	6.7
95.08605	1.6
97.02892	1.3
98.20777	2.1
98.97608	3.0
103.05434	1.1
103.86779	1.0
105.04446	0.9
105.07033	7.0
107.08594	60.1
109.06519	3.3
109.90959	0.9
116.21896	1.2
116.98652	1.9
118.78038	1.0
119.08576	3.2
131.08577	1.7
135.11687	43.9
145.10095	1.2
159.11646	2.8
175.11139	1.3
233.08362	1.0
233.11700	1.6
233.15318	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	233.0807
Annotation	6-Hydroxymusizin
Peak:m/z	Relative Intensity
55.01868	0.5
55.05505	1.2
56.11185	0.3
62.93769	0.3
67.05503	3.5
69.03418	0.6
69.07063	1.5
69.43080	2.2
69.43485	0.7
71.04960	0.5
78.30659	0.3
79.05499	3.0
81.07048	4.1
83.04955	0.8
83.08607	0.9
85.02923	0.5
85.06518	0.8
91.05476	3.7
93.07036	4.3
95.04984	1.0
95.08133	0.3
95.08614	3.3
97.06518	1.3
97.10167	0.3
99.04456	0.6
99.08089	0.5
103.05483	2.8
105.07018	3.5
107.04941	0.9
107.08577	3.6
109.06531	0.5
109.10138	2.3
111.08081	1.1
115.05448	3.8
116.06266	0.4
117.07011	13.0
119.08569	4.7
121.06520	0.7
121.10126	4.1
123.08055	1.1
123.11674	0.5
127.05437	1.0
128.06192	0.6
129.06999	1.3
131.04919	3.7
131.08563	3.6
133.10138	3.9
135.08018	0.5
135.11693	3.2
137.02319	0.4
137.09615	0.9
141.06990	7.0
144.05692	0.5
145.06476	15.6
145.10117	4.2
147.04407	10.0
147.11691	2.0
149.05984	1.0
149.09550	0.5
149.13240	1.2
151.11188	0.4
155.04907	0.4
155.06038	4.1
155.08566	0.4
157.06465	0.7
157.10114	0.8
159.08043	0.8
159.11668	3.4
161.05978	0.6
161.13225	0.7
163.11154	0.6
169.06453	2.0
171.04327	0.4
171.11720	0.4
173.05984	9.0
173.13272	2.4
175.03915	3.1
175.11159	0.7
175.14861	0.7
177.09201	0.4
177.12686	0.4
179.06261	0.3
187.07545	2.2
187.14844	1.6
189.16316	0.9
191.03339	0.4
191.07005	1.3
191.10754	0.5
191.14282	0.5
205.08583	0.6
205.15819	0.4
215.07022	10.2
215.10422	0.5
215.14305	1.0
215.17931	6.8
233.08070	100.0
233.15395	5.6
233.18956	10.9
233.22597	0.7
234.08377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05508	2.6
55.54602	0.6
55.77035	0.5
56.05039	2.7
56.96569	7.9
57.03437	3.5
58.99885	0.5
60.04510	0.8
61.01149	0.8
61.02925	4.4
67.05489	0.8
68.05020	1.3
69.03425	3.9
69.07067	7.6
69.54279	3.6
69.54691	1.0
70.06593	7.0
70.53122	0.5
71.04979	1.2
72.04507	0.8
72.08157	13.1
73.02925	3.2
74.06086	5.8
79.05485	1.3
81.03422	1.8
81.07056	0.9
82.06612	0.8
83.04966	1.0
84.04523	3.0
84.08142	7.1
84.96033	0.6
85.02906	6.4
85.06504	0.5
86.06066	0.6
86.09707	100.0
87.04467	1.3
89.60291	0.5
91.05492	1.1
93.07045	0.8
97.02892	4.6
98.06124	0.6
98.97598	2.4
99.04463	1.1
100.11263	1.6
101.00891	1.7
101.02393	0.7
102.05524	2.1
104.07108	2.9
105.07053	0.8
107.08601	0.9
108.05714	0.6
110.07176	3.9
110.97585	0.7
112.07632	0.7
113.00854	0.6
113.02361	0.9
115.02415	0.9
115.03948	0.7
116.07079	0.9
116.10709	0.7
116.98611	3.3
117.07024	0.8
119.00214	0.9
119.01917	12.5
119.08593	1.1
120.02029	0.8
120.06576	5.6
121.01685	1.6
121.03505	0.6
125.07085	0.8
127.03921	1.2
127.08700	1.8
128.07062	0.9
128.09068	0.5
128.98586	1.5
129.10301	1.6
130.05022	1.1
130.08641	1.2
131.00191	0.6
131.01904	2.2
131.08603	1.5
132.10202	0.9
133.03471	8.2
134.99619	2.8
137.02956	4.1
140.05070	0.8
143.01865	3.4
144.99902	0.6
145.03465	2.7
145.10167	1.5
146.99658	2.5
147.05086	1.0
149.02863	1.3
151.04514	4.4
155.01962	1.0
156.05086	0.8
157.03545	1.0
158.99678	0.7
159.03214	0.6
159.11763	0.9
160.02176	0.6
160.04697	1.3
160.08713	0.7
161.01352	1.2
161.02992	6.8
161.05801	0.7
162.03102	0.6
162.99174	1.1
163.02725	0.8
163.04575	1.0
165.00749	1.0
170.06097	0.6
170.08221	1.0
173.02946	3.9
175.04582	1.2
177.00714	1.2
177.02409	0.7
184.04680	1.7
186.99106	0.8
187.00702	1.7
187.02597	0.7
187.11374	0.7
187.14697	1.0
189.00772	0.8
189.02658	0.6
190.98671	1.8
191.02390	0.9
191.04007	8.6
193.00288	1.1
201.00691	0.8
201.02446	1.3
202.05768	0.7
203.04085	1.0
205.01700	1.3
205.10870	4.9
208.99776	2.4
210.02544	0.7
213.09879	1.2
214.05792	1.1
215.13997	3.1
216.08698	1.5
219.01770	0.9
221.05153	0.9
233.01369	0.6
233.04451	1.5
233.06734	5.9
233.10429	3.6
233.15201	8.6
233.18721	1.8
237.02928	0.9
251.96378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1544
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
55.05509	0.5
56.96567	0.6
57.03447	1.5
58.06607	0.6
60.08162	7.4
67.29076	0.2
69.03428	0.3
70.06586	0.7
70.98945	0.8
71.04986	2.1
71.37571	0.2
72.08152	1.7
73.08481	0.9
74.06078	0.3
78.20683	0.2
81.07032	0.3
84.08120	0.5
85.02903	100.0
86.03256	0.3
86.09715	0.6
87.10036	0.5
89.06013	0.3
98.97571	0.5
114.76412	0.3
116.98648	0.2
129.07843	0.3
144.09178	0.4
144.10193	1.8
146.10503	0.3
159.44112	0.3
170.11748	1.7
173.08087	10.5
174.48770	0.3
186.13580	0.7
189.90129	0.3
214.13060	0.3
232.15463	29.4
233.15744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61592	1.5
53.03947	5.2
54.55390	1.4
55.05511	24.7
56.96561	6.8
57.03448	2.4
57.07083	15.5
62.31998	1.3
67.05517	16.3
69.03434	23.2
69.07061	16.8
71.01337	1.2
71.04984	6.4
71.08630	1.5
71.59985	1.7
71.60374	1.7
72.08150	11.5
73.02907	1.5
77.03934	1.3
79.05503	15.7
81.03433	8.2
81.07062	56.1
83.04988	4.2
83.08624	15.3
83.80045	1.2
84.04507	6.8
84.96039	1.3
85.02908	10.9
85.06542	29.5
85.10209	2.5
86.09669	1.5
86.66371	1.3
90.71386	1.3
91.05481	12.4
93.07049	33.9
95.04987	3.6
95.08611	69.5
97.02927	7.0
97.06535	2.0
97.10150	9.5
98.69043	1.2
98.97579	14.8
99.04510	6.3
99.08106	6.3
102.12851	3.3
105.07023	15.5
107.08601	41.1
109.02879	4.0
109.06526	2.9
109.10162	36.1
111.08036	1.6
111.11740	2.7
115.05464	1.6
116.98624	10.5
117.07027	5.8
119.04960	2.2
119.08562	7.5
120.91353	1.3
121.10151	53.6
123.11708	16.0
125.09647	9.1
127.03946	7.1
128.03444	3.0
128.06216	4.5
129.07036	8.7
130.05035	4.2
131.08582	9.8
133.06485	3.3
133.10150	5.8
134.99644	4.7
135.11693	16.6
137.02820	1.4
137.05968	1.8
137.13261	8.0
139.11179	3.4
141.07031	1.4
142.07805	3.6
143.08551	15.7
144.90161	1.3
145.10121	11.0
147.04366	6.8
147.08066	1.9
147.11633	1.5
149.13252	5.8
151.07513	1.9
151.14850	2.8
153.12839	1.7
155.08572	2.5
156.09349	1.5
157.06470	1.8
157.10149	13.1
158.99736	4.0
159.08064	1.7
159.11719	6.7
161.01199	1.8
161.09619	4.4
165.16377	12.7
169.04483	6.8
171.08017	3.1
171.11693	3.5
173.09642	4.8
175.02776	3.0
175.07584	6.1
177.00746	6.0
177.16397	100.0
178.04936	3.4
183.17459	8.8
185.09659	3.1
185.13275	27.3
185.16617	1.9
189.09177	3.5
189.12781	2.5
191.03812	6.6
195.11726	3.7
195.17462	33.1
200.04356	3.2
203.10690	3.7
203.14381	4.2
211.07236	2.2
211.55231	1.4
213.12784	5.4
213.18549	2.9
214.14452	3.4
217.03882	3.3
219.01601	1.6
219.26823	1.3
220.07813	2.6
231.03024	2.2
231.06425	2.7
231.08354	2.7
231.10257	2.6
231.13805	40.3
231.17450	6.4
231.19588	5.7
232.14148	2.1
232.17047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.8
55.01863	6.8
55.05512	33.9
56.96566	2.5
57.03433	6.7
57.07069	6.4
59.04974	2.3
61.02916	9.4
65.65158	2.5
67.05508	35.0
68.99803	5.2
69.03432	64.9
69.07073	28.0
70.06590	2.2
71.01358	14.9
71.05003	17.0
71.08633	5.8
71.59128	3.1
72.08162	3.5
73.02916	2.7
73.06568	3.6
79.05493	33.1
81.03422	31.2
81.06579	4.5
81.07059	79.3
83.04974	6.7
83.08632	18.0
83.25177	2.3
85.02914	37.5
85.06542	32.9
86.09744	2.4
87.00819	9.8
91.05482	26.1
93.07053	57.9
95.04983	8.5
95.08611	100.0
97.02892	26.4
97.06540	15.0
97.10193	11.6
98.97558	3.9
99.04456	20.2
99.08101	29.7
102.05556	3.0
102.12833	2.6
103.05484	2.7
105.07027	24.9
107.04939	4.4
107.08594	55.8
109.02898	14.1
109.06518	8.4
109.10151	43.4
111.04407	3.3
111.08076	9.5
111.11684	2.0
113.06008	18.0
113.09621	5.6
115.05458	5.6
115.07574	6.3
116.98657	2.5
117.07011	12.5
119.08566	15.4
121.06506	8.0
121.10144	59.7
123.08072	6.8
123.11710	20.8
125.02465	2.2
125.09640	13.6
127.03933	15.1
128.06226	8.4
129.07022	13.9
131.08569	21.0
133.06456	2.4
133.10121	8.4
134.99709	2.6
135.08064	10.2
135.11696	23.3
137.09642	3.5
137.13264	7.9
139.07571	7.0
141.06995	4.0
141.09109	19.4
142.07765	6.1
143.03355	3.0
143.08568	24.8
145.04941	4.0
145.06499	3.3
145.10141	21.3
147.08046	6.0
147.11659	4.9
148.58629	2.2
149.09618	5.6
149.13258	8.4
151.07544	6.0
153.09081	5.7
155.08562	4.3
156.09404	4.7
157.06493	3.8
157.10135	22.5
159.08064	3.4
159.11716	16.3
161.06017	3.5
161.09598	6.0
165.07024	4.2
165.09148	5.8
165.16420	12.8
167.10654	3.9
170.07266	2.4
170.10875	4.8
171.08060	6.8
171.10176	24.2
171.11658	6.4
173.09659	7.1
175.07559	12.0
175.11116	3.8
177.09123	6.3
177.12776	6.5
177.16400	94.3
180.09431	2.4
183.10187	4.1
183.17468	7.7
185.09662	7.0
185.13257	42.6
186.14920	6.1
187.11195	2.9
189.09091	8.5
189.12839	3.8
195.10193	11.7
195.11765	6.0
195.13719	10.5
195.17453	30.1
203.10677	8.1
203.14333	11.6
213.09132	5.4
213.11171	11.3
213.12811	12.3
213.14870	5.6
231.02858	4.8
231.04742	4.0
231.06602	5.0
231.10176	9.2
231.13850	50.2
231.17328	10.3
231.19527	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	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
50.26043	0.3
53.03940	0.7
53.79745	0.3
55.05513	10.4
56.05043	0.4
56.96562	2.3
57.05817	0.5
67.05516	0.6
69.03432	1.3
69.07080	0.6
69.96510	1.6
70.94596	0.3
71.04995	0.4
72.08157	100.0
79.05493	0.6
80.63763	0.3
81.03428	0.6
81.07056	1.9
83.05003	0.5
84.96028	0.4
85.02936	0.6
85.06569	0.3
86.09710	12.7
91.05487	3.5
92.05798	0.6
93.07058	1.1
95.04964	0.7
95.08618	1.2
96.08237	0.3
97.02887	0.5
97.06546	0.4
98.20726	0.3
98.97590	0.6
99.08019	0.3
103.05494	0.3
105.07008	2.3
107.08592	0.8
115.05460	0.3
116.98626	0.5
117.07030	1.0
119.01849	0.3
119.04954	2.4
119.08599	1.2
120.05314	1.2
121.06531	0.6
124.99115	0.4
128.06232	0.7
129.07018	1.3
129.10265	0.4
131.08606	2.1
132.10211	4.2
133.10149	0.8
134.99611	0.3
142.07825	0.8
143.00172	2.0
143.08583	3.3
145.10144	2.7
147.04422	8.8
147.08118	0.5
148.04742	5.6
149.05014	0.6
150.00740	0.3
155.08557	0.4
157.06525	0.4
157.10133	2.0
159.08134	0.4
159.11678	1.9
161.01215	2.7
161.09636	0.7
162.01660	0.4
165.07071	0.5
170.11012	0.4
171.08093	0.6
171.11754	0.9
173.09666	0.9
175.07594	1.3
175.11278	0.4
178.18768	0.3
185.01305	0.7
185.09674	0.6
185.13286	6.2
185.16548	1.6
186.01524	0.5
189.00708	0.5
189.09077	0.6
189.12700	0.7
194.73489	0.3
195.11763	0.9
203.02318	0.5
203.10641	0.8
203.14345	1.2
213.12779	1.5
231.01848	1.0
231.10338	0.6
231.13875	7.8
231.17145	5.0
232.02118	0.4
233.02417	0.3
249.02849	1.4
250.03247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1703
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.00326	0.2
53.03944	2.5
55.01868	1.1
55.05513	9.6
56.05030	0.5
56.96571	1.8
57.03436	0.7
57.05807	0.8
59.06116	0.4
60.04506	0.3
61.02933	0.3
63.70586	0.2
64.41373	0.3
65.03932	0.4
67.05506	0.5
68.99805	0.6
69.03434	20.0
69.07067	0.5
70.03098	0.4
70.03444	1.2
70.03790	0.3
70.06580	0.3
71.05000	1.4
72.08159	100.0
73.02918	0.4
77.48312	0.2
78.94063	0.3
79.05495	1.0
81.03423	17.4
81.07066	2.6
82.03757	0.3
83.01338	0.6
83.05002	0.4
83.08616	0.3
84.04533	0.5
85.02904	4.1
85.85918	0.2
86.09712	5.9
87.00834	4.3
91.05482	3.9
92.05827	1.0
93.07060	1.3
95.04994	0.6
95.08605	1.5
95.73114	0.3
97.02894	6.4
97.06525	0.4
99.04465	3.2
105.01862	1.6
105.07038	3.2
107.08591	0.6
109.02889	10.1
109.10164	0.4
110.03229	0.3
111.00815	0.2
111.04428	0.3
116.98617	0.2
117.07047	1.0
118.91054	0.2
119.04950	3.0
119.08560	1.6
120.05277	2.0
121.06538	0.7
121.10155	0.6
124.99133	0.4
125.02402	0.3
127.03928	8.9
128.04297	0.4
128.06267	1.1
129.07018	1.9
131.08585	2.8
132.10213	3.5
133.06558	0.3
133.10178	1.0
137.06010	0.5
142.07809	0.9
143.00160	2.4
143.08560	4.4
144.00586	0.7
144.09270	0.3
145.05009	1.0
145.06599	0.3
145.10120	2.4
147.04416	10.7
147.08052	0.5
148.04753	7.2
149.05028	0.6
151.07574	0.5
155.08604	0.4
156.09357	0.5
157.06558	0.5
157.10127	3.0
159.08086	0.6
159.11731	2.1
161.01257	3.6
161.06052	0.6
161.09653	1.0
161.13350	0.3
162.01639	0.7
163.03940	0.6
170.10948	0.9
171.08142	0.8
171.11751	1.1
173.09683	1.1
175.07556	1.8
175.11305	0.4
179.02249	0.4
184.02829	0.3
185.01288	1.2
185.03032	0.7
185.09715	0.8
185.13266	7.3
185.14856	0.4
185.16580	1.0
186.01593	0.5
189.00729	0.5
189.09155	0.9
189.12773	1.0
195.11725	1.1
203.02318	1.0
203.04080	0.3
203.10674	1.3
203.14310	1.6
204.02617	0.4
207.54321	0.3
208.04552	0.6
211.05527	0.3
213.03928	0.4
213.12732	2.0
231.01750	0.5
231.02580	0.4
231.04811	2.4
231.10255	0.4
231.13892	8.5
231.17151	5.3
249.02884	1.4
250.03180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	Volvatellin
Peak:m/z	Relative Intensity
51.02378	0.3
53.03928	0.6
55.01853	0.6
55.05509	3.1
56.24443	0.3
57.03423	0.3
57.07070	1.6
59.04971	0.6
65.03912	0.7
67.05508	3.4
69.03431	2.5
69.07066	6.8
69.86147	1.6
71.04950	0.5
73.06561	0.3
77.03920	0.3
79.05069	0.3
79.05491	4.7
81.03418	0.5
81.07057	7.1
83.04980	1.3
83.08615	2.2
85.06528	0.6
89.37175	0.3
91.05477	13.2
93.07046	7.3
95.04955	2.5
95.08061	0.3
95.08605	5.3
97.02901	0.3
97.06511	1.2
98.08983	0.3
98.20752	0.3
100.02416	0.5
103.05465	1.0
105.07030	15.3
107.04958	1.9
107.08594	6.6
107.41257	0.2
109.02757	0.2
109.06525	3.1
109.10168	1.4
111.04411	0.7
111.08060	1.3
115.05425	1.4
116.06229	0.6
117.07018	4.3
119.04941	1.8
119.08580	15.2
121.05659	0.5
121.06501	8.7
121.10144	3.5
123.04408	0.7
123.08084	1.6
128.06209	4.4
129.07007	8.7
130.07759	1.0
131.04921	0.6
131.08568	6.8
132.09331	0.5
133.06496	6.9
133.10130	11.6
134.10904	0.5
135.04430	0.6
135.08055	3.2
135.11667	1.0
137.05989	1.7
137.09624	1.5
139.07544	0.6
141.06978	1.8
142.07779	4.8
143.08562	18.8
144.09366	1.2
145.06483	1.9
145.10124	9.8
146.07262	0.7
146.10760	0.5
147.04411	11.6
147.08041	10.7
147.11699	2.2
148.08673	0.3
149.05992	2.5
149.09578	0.8
150.65160	0.2
151.07533	1.2
153.06969	0.7
154.07770	0.4
155.05975	0.4
155.08533	2.7
156.09352	7.3
157.06493	26.2
157.10121	15.3
157.11461	0.5
158.07115	0.5
158.10875	0.5
159.08063	2.1
159.11696	5.6
160.05244	0.3
160.08749	0.7
161.04634	0.3
161.05988	5.3
161.09613	8.0
161.13280	3.1
162.06702	1.0
163.07550	4.1
165.06976	1.1
167.08542	0.7
169.06429	0.3
169.10083	1.8
170.07242	0.9
170.10918	7.0
171.08054	12.6
171.11684	13.3
172.08745	0.8
172.12440	0.8
173.09599	2.6
173.13249	0.9
174.10555	1.0
175.07553	6.9
175.11154	1.4
175.14847	3.4
177.09033	0.3
179.09882	0.3
180.09338	1.3
183.08041	1.4
183.11653	0.5
184.08836	2.5
185.09676	4.9
185.13258	27.7
186.13715	0.5
186.28720	0.3
187.07660	0.3
187.11176	2.8
187.14821	2.4
188.08327	0.5
188.10387	0.3
189.09125	4.8
189.12737	9.9
190.60590	0.5
195.11679	3.4
198.10397	3.5
199.61244	2.3
200.11420	0.4
202.09903	0.6
203.10620	1.2
203.14314	10.2
208.61780	3.1
211.12100	1.7
213.12738	35.0
214.13098	0.7
216.11333	0.4
231.13799	100.0
231.21129	1.6
232.14096	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
51.54441	0.7
53.03938	2.4
54.04425	0.7
55.01857	1.1
55.05508	3.4
57.07050	2.0
65.03926	0.9
67.05507	6.2
69.03406	1.2
69.07084	3.9
70.19917	2.4
70.96357	0.7
71.04987	0.8
79.05058	1.2
79.05489	17.9
81.07055	14.8
83.04974	1.1
91.04907	1.3
91.05475	26.1
92.06248	2.6
93.07039	17.9
94.07793	1.3
95.04970	4.3
95.08607	11.3
97.02895	0.9
97.06521	0.8
98.21416	0.9
103.05425	1.4
104.06282	0.6
105.03378	0.9
105.07030	37.8
106.07806	1.2
107.04948	3.1
107.08589	22.9
109.06522	4.8
109.10155	1.1
111.04427	2.2
115.05448	2.3
116.06209	1.4
116.96375	0.7
117.07010	11.8
119.04923	1.6
119.06013	0.9
119.08578	31.6
121.06501	1.7
121.10121	3.1
123.04465	1.1
123.08098	1.1
125.05977	1.9
128.06209	8.8
129.06990	15.9
130.07758	3.0
131.08566	20.9
132.09279	0.7
133.06462	1.7
133.10126	53.6
134.10909	14.7
135.11685	2.0
137.05956	3.7
139.02574	0.7
141.06973	5.4
142.07774	8.4
143.08554	37.5
144.09296	3.2
145.06432	1.5
145.10114	24.7
146.10831	1.1
147.08002	1.8
147.11659	2.3
149.06010	1.4
149.13593	0.8
151.07529	2.3
153.07103	1.1
154.07759	1.0
155.08540	5.7
156.09344	21.3
157.06465	4.4
157.10124	29.7
158.10912	1.6
159.08032	1.5
159.11691	10.2
161.05943	2.1
161.09596	3.5
161.13199	1.1
163.07529	1.9
165.07021	1.7
169.10143	8.7
170.10899	12.8
171.08076	8.1
171.11682	61.3
172.08727	0.7
172.12372	2.4
173.09598	1.2
173.13240	1.0
175.07550	7.0
175.11212	0.9
175.14742	1.0
177.09312	0.7
180.09219	1.2
183.08037	1.5
183.11713	1.2
184.08820	2.1
185.09709	5.9
185.13255	52.0
186.13760	0.9
187.14799	8.7
189.09065	7.4
189.12720	1.7
194.21404	0.9
195.11700	4.5
198.10402	4.1
203.10669	2.9
203.14297	6.0
213.12730	69.6
214.13068	1.7
229.65060	0.8
231.13791	100.0
232.14204	1.5
236.07599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
53.03933	1.2
53.49813	0.8
55.01857	1.8
55.05516	5.6
56.96547	1.3
57.07055	0.9
65.03936	1.4
67.05502	6.3
69.07052	3.3
69.91951	5.3
71.50049	0.9
77.03902	1.0
77.92052	0.9
79.05492	18.5
81.06583	1.2
81.07053	15.9
83.04956	2.1
91.05476	28.1
92.06281	1.4
93.07041	21.7
95.04953	3.9
95.08591	8.7
97.02879	1.0
98.21464	1.8
105.07026	46.9
106.07816	1.6
107.04944	5.1
107.08595	25.5
109.06469	5.1
109.10091	1.2
110.09563	0.9
111.04460	2.2
115.05450	4.0
116.06213	1.8
117.07009	13.7
118.07832	0.9
119.04955	1.7
119.08580	39.4
121.06511	2.4
121.10146	4.8
122.72681	0.8
123.08089	1.5
125.05984	2.5
128.06209	11.5
129.07005	20.5
130.07779	4.7
131.08553	28.7
133.06523	2.3
133.10124	66.6
134.10901	17.2
135.04529	0.9
135.11662	1.4
137.05951	5.3
141.06973	5.5
142.07774	12.8
143.08551	44.9
144.09288	3.7
145.06474	2.4
145.10127	31.4
146.10805	1.1
147.08028	3.0
147.11607	2.4
149.05971	1.3
151.07506	2.4
153.06978	2.2
154.07771	0.9
155.08559	8.6
156.09337	25.6
157.06499	3.0
157.10126	38.4
158.10901	1.7
159.08054	1.5
159.11679	12.9
161.05984	1.1
161.09578	2.7
163.07524	1.7
165.07007	1.8
167.08553	1.2
169.10133	7.0
170.10901	15.7
171.08080	9.3
171.11682	60.7
172.08813	1.3
172.12503	2.1
173.09554	1.0
173.13202	1.9
175.07486	5.6
175.11189	1.8
175.14847	1.6
180.09381	2.0
183.08177	1.5
183.11745	1.3
184.08798	2.3
185.09772	4.8
185.13257	63.6
187.14812	12.1
189.09076	7.6
189.12697	1.7
190.65083	0.9
195.11716	5.1
197.10112	1.2
198.10399	5.7
203.10626	3.5
203.14313	8.0
208.60791	1.1
212.20439	0.9
213.12730	88.1
214.13049	1.3
217.61446	0.8
231.13791	100.0
232.14207	1.3
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	Secocrispiolide
Peak:m/z	Relative Intensity
51.02374	0.6
53.03931	2.6
55.01871	0.9
55.05502	3.6
57.03955	0.6
57.07065	1.3
61.86688	0.7
65.03927	1.2
67.05503	6.4
69.03410	1.0
69.07059	3.4
69.46854	4.4
69.47269	1.4
79.05493	18.5
81.07057	13.1
83.04958	1.8
91.05479	27.7
92.06267	1.4
93.06470	1.1
93.07043	20.2
94.07800	1.0
95.04964	5.4
95.08604	9.5
97.02881	1.3
97.05439	0.7
97.06494	0.8
103.05453	1.5
104.37972	0.6
105.03414	0.7
105.07028	35.9
106.07830	1.4
107.04964	4.2
107.07861	1.3
107.08594	26.4
108.09364	1.1
109.06546	4.3
109.10076	0.7
111.04423	1.7
111.80415	0.8
115.05427	2.6
116.06244	1.5
117.07023	12.1
119.04917	1.2
119.08575	34.2
121.06498	2.4
121.10134	2.7
123.04416	1.1
125.06015	3.0
128.06219	11.1
129.07001	16.5
130.07761	2.2
131.08571	21.8
132.09366	1.1
133.06473	1.8
133.10129	53.2
134.10916	17.1
135.11670	1.9
137.05981	4.6
139.07550	0.6
141.06949	4.0
142.07780	10.0
143.08560	36.9
144.09325	1.8
145.06506	1.5
145.10123	21.4
147.04375	0.8
147.08057	2.3
147.11664	2.2
149.05981	2.0
151.07491	1.8
153.06958	1.3
154.07741	0.8
155.08553	6.1
156.09343	22.7
157.06474	2.5
157.10127	27.7
158.10881	1.0
159.08078	1.3
159.11674	9.4
161.05981	2.0
161.09561	3.1
161.13229	1.1
162.66222	0.6
163.07590	0.7
165.06970	1.4
167.08508	1.0
169.10124	8.3
170.07266	0.9
170.10902	11.6
171.08105	6.3
171.11681	66.5
172.12463	2.3
173.13252	1.1
175.07536	5.0
175.14781	1.3
177.09192	0.9
180.09302	1.2
183.08017	0.9
183.11700	1.1
184.08842	1.2
185.09761	4.3
185.13260	46.2
186.13841	0.8
187.11238	1.2
187.14819	10.2
189.09149	4.7
189.12769	2.0
195.11662	4.3
198.10374	4.2
203.10611	2.0
203.14360	4.6
213.12730	65.0
214.13118	0.9
219.65523	0.7
231.13797	100.0
232.14134	1.2
252.38066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
53.03930	2.9
53.68042	0.7
55.01876	1.3
55.05495	3.9
56.13503	0.7
57.07066	0.9
65.03928	1.1
67.05504	6.6
67.61002	0.8
69.03436	0.8
69.07058	2.9
71.57973	1.3
77.03875	1.1
79.05489	17.4
81.07053	14.1
83.04987	2.3
86.33727	0.8
91.05477	27.2
92.06255	1.8
93.07043	18.8
95.04969	4.8
95.08590	9.9
97.06543	0.9
103.05459	1.2
105.03363	1.2
105.07027	38.3
106.07809	1.5
107.04946	3.4
107.08585	24.2
109.06538	4.0
111.04417	1.5
115.05438	3.3
116.06252	1.0
117.07018	13.4
119.04919	1.6
119.08578	32.8
121.06505	1.1
121.10119	3.3
123.04420	1.4
123.08013	1.9
125.05956	2.4
128.06221	7.8
129.07011	14.9
130.07744	2.3
131.08572	20.5
133.06465	2.7
133.10127	53.5
134.10915	17.2
135.11719	2.2
137.05997	4.9
141.06979	3.6
142.07787	8.2
143.08559	32.5
144.09309	1.8
145.06502	1.8
145.10110	19.0
147.08058	2.1
147.11681	1.2
149.05962	1.2
151.07492	1.6
154.07733	1.2
155.08563	6.0
156.09335	21.2
157.06424	2.5
157.10120	26.8
158.10938	1.0
159.08037	1.5
159.11685	8.9
161.05980	2.0
161.09579	2.9
163.07573	1.4
165.07007	1.5
167.08504	1.6
169.10130	8.5
170.10927	12.3
171.08095	5.5
171.11688	61.3
172.12395	2.0
173.13290	2.2
175.07567	5.9
175.14801	0.9
180.09508	1.0
183.11684	1.5
184.08778	1.6
185.09720	5.9
185.13258	40.8
187.14804	9.8
189.09131	5.7
189.12706	2.4
195.11658	5.3
198.10379	2.9
203.10649	1.8
203.14279	4.8
213.12741	61.2
231.13794	100.0
232.14139	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
53.03935	2.0
55.01864	1.2
55.05513	3.4
57.07065	1.2
58.71620	0.6
59.34577	0.7
60.65203	0.7
61.93930	0.9
65.03942	1.2
67.05502	7.3
68.38928	0.8
69.03432	0.7
69.07069	3.5
70.69770	0.8
71.18231	1.9
79.05054	1.2
79.05489	17.6
79.18433	0.8
81.07057	14.5
83.04974	1.3
91.05479	27.3
92.06257	1.4
93.06466	1.3
93.07040	20.9
94.07827	1.7
95.04961	3.4
95.08604	11.2
97.02888	0.9
103.05458	1.5
105.04517	0.7
105.07030	38.3
106.07819	1.1
107.04932	2.6
107.08596	24.1
107.64563	0.8
108.09351	0.9
109.06521	2.6
109.10141	1.1
111.04441	1.4
115.05418	3.8
116.06247	1.0
117.07013	11.4
119.04930	2.5
119.08582	32.3
121.06475	1.7
121.10130	2.6
123.04424	1.2
123.08070	1.9
125.05991	3.0
128.06207	9.0
129.07004	15.5
130.07762	2.8
131.08575	18.0
133.06467	2.2
133.10127	53.6
134.10910	17.3
135.08080	1.1
135.11668	2.7
137.05948	4.7
141.07007	4.4
142.07782	9.2
143.08557	35.7
144.09323	2.9
145.06490	1.8
145.10127	21.0
147.08034	2.7
147.11685	2.1
149.05928	1.3
151.07536	2.3
153.07103	0.8
155.08556	5.5
156.09346	22.4
157.06476	3.3
157.10124	27.0
158.10869	1.2
159.08142	1.1
159.11681	9.5
161.05963	1.8
161.09616	2.7
161.13213	1.4
163.07498	1.0
165.06989	1.1
167.08575	1.2
169.10123	6.8
170.10925	12.1
171.08061	7.9
171.11685	60.7
172.12456	2.2
173.13257	1.5
175.07550	5.7
175.11246	1.3
175.14848	1.6
180.09367	1.6
183.07980	1.1
184.08768	1.3
185.09673	4.8
185.13254	42.0
187.14784	7.2
189.09119	6.3
189.12729	1.6
195.11707	5.4
198.10384	3.2
203.10670	2.0
203.14328	3.6
213.12743	58.9
231.13795	100.0
232.14098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.3
53.19151	0.5
55.01863	3.2
55.05507	2.0
56.96596	0.5
57.03432	3.0
61.02924	1.9
67.05510	1.6
68.99793	2.3
69.03429	100.0
69.07065	1.9
69.95468	1.0
69.95889	2.3
70.06565	0.7
71.01357	0.7
71.04993	10.9
72.08150	1.8
73.02934	0.8
79.05496	2.3
81.03419	44.1
81.07059	6.3
83.01340	1.0
83.05011	0.9
83.08616	0.7
85.02903	39.3
85.33804	0.5
86.09752	0.8
87.00292	1.1
87.00832	20.3
87.04455	0.9
91.05489	3.9
93.07033	4.6
94.29636	0.5
95.04971	1.3
95.08600	3.2
97.02896	24.7
97.06528	1.1
97.98225	0.5
98.21474	0.9
99.04455	27.4
99.08093	1.0
105.01868	5.0
105.03406	1.3
105.07034	5.9
107.08603	2.8
109.02110	1.1
109.02879	22.5
109.06552	0.9
109.10174	0.6
110.03243	0.6
112.44109	0.5
115.05434	1.2
117.07008	2.7
119.04958	0.7
119.08578	4.3
121.01685	0.5
121.06484	1.4
121.10136	0.6
125.06066	0.6
127.03917	31.3
128.06241	1.8
129.06989	4.3
130.07791	0.8
131.08568	5.8
133.06474	1.0
133.10146	2.0
135.11691	0.9
137.05991	0.6
141.07076	0.7
142.07797	1.6
143.03395	0.5
143.08577	8.8
144.09337	1.1
145.05000	2.3
145.06534	0.9
145.10123	6.1
146.10922	0.8
147.04446	0.7
147.08096	1.2
147.11667	0.6
151.07547	1.1
153.01848	2.1
155.08588	1.8
156.09404	1.4
157.10132	5.2
159.11685	4.4
159.12921	0.7
161.06018	1.0
161.09697	1.8
161.13283	0.6
170.10890	1.5
171.02945	1.0
171.08066	1.5
171.11592	2.9
173.09659	2.4
175.07504	3.2
175.11147	0.7
185.09740	1.0
185.13254	14.4
189.09155	1.5
189.12819	2.1
195.11726	1.8
203.10741	2.3
203.14349	3.0
213.03912	3.8
213.12796	4.5
231.02748	0.8
231.04857	8.0
231.07036	0.9
231.10196	1.0
231.13823	16.2
231.17326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05503	1.1
56.96567	5.2
57.03431	1.7
58.06569	1.3
58.45439	0.7
58.99878	0.7
61.02928	4.0
63.46786	0.7
65.38241	0.9
67.05492	1.2
69.03416	2.8
69.04548	0.8
69.07056	2.6
70.06599	1.8
71.04998	1.2
71.60262	0.8
72.08143	1.8
73.02902	1.5
74.97576	0.7
77.00911	1.5
81.03400	1.6
81.07039	2.0
82.67422	0.8
82.99866	2.5
83.04988	1.0
84.04521	0.8
84.08138	3.9
85.02893	2.9
85.06527	0.9
86.09708	20.5
86.99351	0.8
88.03999	1.3
90.01536	0.7
91.02455	1.4
91.05466	2.9
93.07028	1.5
95.08592	1.2
97.02888	1.3
98.97569	2.5
101.00871	8.0
103.02448	17.3
105.00376	2.2
105.07030	2.6
110.71379	0.8
112.41111	0.9
116.07108	0.9
116.98608	3.1
116.99802	0.9
117.03999	5.6
117.06996	1.1
118.08639	1.1
119.01929	63.6
119.04931	2.6
119.08548	1.6
120.05296	1.2
121.01655	5.1
121.03493	18.2
121.06528	1.0
122.71407	1.0
127.02396	1.2
127.03864	0.8
128.06206	1.3
128.98657	1.1
129.00356	1.5
129.06984	1.5
129.10237	1.0
131.01886	3.8
131.08569	1.9
133.03493	6.3
134.99651	2.7
135.05063	7.9
136.03906	1.4
136.54018	2.0
137.02956	31.1
139.02664	1.2
142.03529	2.4
143.00140	3.1
143.01927	2.5
143.08595	4.8
144.05070	1.1
145.03465	40.9
145.10112	1.8
146.99643	1.7
147.01396	18.5
147.04430	6.6
148.04776	7.1
149.02945	1.7
151.04512	3.0
157.03455	1.6
157.10123	3.2
159.11668	2.0
160.04575	1.3
161.01236	3.7
161.02954	15.7
163.04550	33.8
165.02438	12.9
168.05069	3.3
169.03491	1.1
170.03142	0.9
171.01384	11.4
171.11604	1.0
173.02930	3.9
173.09715	0.9
175.07471	1.1
179.04012	5.9
183.02049	0.9
183.03433	4.0
184.04677	0.9
185.02950	9.1
185.09538	1.0
185.13226	7.4
186.06178	1.3
187.04488	4.1
188.03972	2.2
189.02451	100.0
189.12788	1.1
190.02527	1.4
191.03961	2.6
195.11633	1.1
203.02338	1.2
203.04018	4.1
203.10707	1.1
203.14232	1.2
205.02090	1.1
205.05666	1.6
207.03525	25.8
208.04628	5.1
212.04008	8.8
213.12694	1.8
217.00076	1.6
230.05074	1.2
231.03496	40.4
231.13783	9.7
231.16205	1.2
249.04597	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	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78732	5.6
53.46729	5.7
55.01867	16.3
55.05511	13.0
56.05038	14.1
56.96564	35.2
57.03448	39.2
58.06605	17.6
59.07376	9.4
60.04533	18.3
60.08167	61.2
61.02937	12.1
61.08499	17.4
67.05526	7.8
67.21274	6.0
68.05027	11.4
69.00896	11.7
69.03427	20.4
69.05817	7.9
69.07063	15.0
70.06223	10.4
70.06595	49.0
70.21768	22.3
71.01374	7.5
72.08162	48.1
73.02924	20.7
74.06091	10.2
75.51453	6.9
77.49180	6.2
77.68802	6.1
81.07059	21.5
83.05025	7.2
84.04491	38.7
84.08150	74.9
84.96055	7.3
85.02917	37.2
85.06528	7.9
86.06083	15.3
86.09697	57.6
87.04451	7.8
88.03997	28.2
91.03292	10.7
91.05488	11.5
93.07047	11.8
95.04969	7.1
95.08632	8.7
97.02895	23.6
98.97589	15.8
100.02227	9.0
101.00858	19.0
102.05565	11.7
105.07048	23.0
113.02352	15.4
113.03536	17.2
115.03924	12.4
116.07067	34.5
116.98643	15.1
117.01208	34.3
117.07012	9.8
119.01922	84.8
119.08600	14.7
120.06593	6.4
121.01643	33.3
125.07126	16.0
127.03266	77.7
128.03661	77.7
128.06212	8.3
128.98636	7.4
129.07007	11.9
129.10262	26.2
130.04993	16.3
130.08644	15.3
131.01927	21.0
131.08595	22.4
133.03513	15.5
133.04967	18.0
133.10161	8.0
134.99669	17.5
136.30112	6.2
137.02942	32.0
137.07083	8.1
139.02606	13.1
140.10730	9.0
141.11012	8.1
142.12254	9.5
143.00150	8.4
143.08600	42.1
145.03479	25.3
145.10114	18.2
146.99638	11.3
147.01408	11.0
151.55510	27.4
157.03476	29.9
157.10153	19.5
159.05086	22.5
159.11748	10.6
161.01251	24.6
161.02968	16.5
161.09843	7.9
163.04474	21.3
167.08199	29.0
171.07861	10.4
171.11636	9.1
172.56017	11.5
173.02998	13.4
173.09650	9.8
175.04503	13.2
175.07576	8.6
181.09654	42.8
185.02992	43.9
185.04344	7.4
185.09361	9.1
185.13264	56.1
187.10919	62.5
189.00751	16.6
189.02234	12.8
189.03841	36.4
199.10791	27.3
203.03946	21.6
203.10741	8.0
203.14302	11.7
205.05620	7.3
208.04575	38.9
213.03673	18.7
213.08774	10.5
213.12601	29.5
225.03493	10.9
231.04813	10.7
231.07477	18.8
231.09866	56.0
231.13635	100.0
249.04623	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	230.154
Annotation	Neopellitorine A
Peak:m/z	Relative Intensity
55.05505	3.7
59.04972	2.4
59.90722	1.8
67.05500	2.5
69.03435	10.3
69.07059	2.3
70.06596	3.2
70.72353	5.6
71.04987	3.6
72.08151	3.2
79.05511	4.3
81.03425	5.4
81.07072	3.6
83.08616	2.8
85.02896	8.0
86.06046	4.2
86.09731	1.7
89.06021	1.8
89.76324	1.8
91.05473	10.4
93.07047	6.2
95.04945	2.2
96.15829	1.8
97.02917	2.9
97.06518	2.6
98.06054	2.5
98.97569	2.0
99.04443	3.1
100.11259	5.7
102.05561	2.0
105.07033	13.0
105.22197	1.9
107.08599	3.4
109.02894	4.4
115.05507	1.9
117.06997	3.5
119.08595	14.0
127.03950	3.2
128.06250	2.3
129.07013	3.3
130.07819	1.9
131.08572	3.0
133.06508	9.0
143.08585	5.4
145.10139	26.0
146.10704	1.8
147.04422	5.0
147.08092	4.1
147.11696	34.8
156.09348	7.0
157.06497	2.5
157.10120	3.5
170.10912	1.8
171.11699	8.1
172.11098	2.4
174.10460	3.0
184.13358	5.4
185.07568	2.5
185.09676	1.8
185.13306	5.3
189.12762	77.6
190.01031	2.1
203.10924	2.3
212.12527	2.9
213.12775	2.1
213.14789	3.6
230.15443	100.0
231.13838	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	230.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
56.05034	1.8
56.96573	7.4
57.07074	9.6
58.06588	3.7
60.08160	1.6
62.02942	0.8
62.15194	0.8
67.05504	2.5
68.05022	1.1
69.03415	3.4
69.07066	2.1
70.02940	0.9
70.06594	12.7
70.07414	0.9
71.04967	2.2
71.06921	2.2
71.57375	1.2
72.08157	98.3
73.02885	1.2
74.02444	1.6
74.06068	3.5
79.05476	3.2
81.03402	2.5
81.07060	6.6
82.06583	1.6
83.04973	1.1
84.04529	4.9
84.08150	9.4
85.02892	2.2
85.06542	12.8
86.06061	3.4
86.09215	1.1
86.09707	10.2
87.10036	1.1
88.04030	0.9
89.03892	1.4
91.05479	6.6
93.07034	2.6
95.04985	1.1
95.08590	2.3
97.02883	2.6
97.06538	0.9
98.02382	1.0
98.06063	4.1
98.97557	2.3
99.04462	1.6
105.07053	5.8
106.06567	0.8
107.04967	1.0
107.08568	1.7
109.02869	2.0
110.07175	1.0
110.09740	1.3
110.10486	0.9
111.04426	0.9
112.07605	1.7
112.11227	3.6
114.05515	1.4
114.09167	3.9
116.07080	2.2
116.98611	1.9
117.07007	3.0
119.01941	0.9
119.04946	5.0
119.08582	4.3
121.06507	1.6
122.05998	0.9
127.03197	1.3
127.03983	1.1
128.06232	1.9
128.07091	1.3
129.06976	3.6
129.10243	4.2
130.07779	0.9
131.08565	5.9
133.10114	2.7
134.99661	3.1
135.04407	3.4
140.10698	1.2
141.10107	1.0
142.07794	2.1
142.12277	100.0
143.00119	1.9
143.08582	8.4
143.12593	1.2
145.02757	1.3
145.10152	7.7
146.10843	1.1
147.03375	1.5
147.04419	18.2
149.57504	0.9
151.07527	0.9
153.00739	0.9
156.09143	0.9
156.13815	1.5
157.10129	6.4
159.11653	3.6
159.14948	12.7
161.01242	3.1
161.09668	1.7
163.02747	1.5
163.03920	12.9
164.04282	0.9
166.08588	1.3
167.08910	1.0
170.08217	1.0
170.10747	1.2
171.07974	2.0
171.11658	2.7
173.09663	1.9
175.07561	2.6
182.08163	1.2
185.01295	1.4
185.02928	1.3
185.13278	14.5
187.04500	1.4
187.10860	1.3
188.92506	0.9
189.00728	1.3
189.04295	0.9
189.09097	2.2
189.12738	1.6
194.08080	2.0
195.11562	1.4
196.06171	1.0
203.10741	1.0
203.14262	1.5
205.03860	1.0
206.98280	1.1
212.09160	2.5
213.09512	0.9
213.12804	4.5
213.19618	28.2
215.04028	1.0
230.04578	1.3
230.09990	2.1
230.15721	2.4
230.22282	63.7
231.01782	2.6
231.06445	1.5
231.13788	17.1
231.22585	0.9
233.05064	7.6
234.05173	1.2
249.02931	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	230.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52584	0.6
54.98634	0.5
56.05032	1.1
56.96564	48.7
58.06598	3.0
59.07381	0.9
60.08163	23.2
67.04245	0.7
68.05019	2.7
68.20366	0.5
69.05802	3.4
69.07114	0.6
70.06585	5.2
70.50587	1.2
70.50988	1.3
71.06921	2.0
71.95258	2.3
72.08160	3.2
72.96026	2.8
74.50890	0.6
74.97614	1.4
82.02949	1.6
83.97627	0.9
84.04491	1.5
84.08129	2.1
84.96024	1.6
86.00695	1.1
86.06082	0.6
86.09705	8.8
94.94052	0.5
98.06074	0.8
98.97581	83.5
100.02219	3.2
102.05546	1.0
114.05534	0.7
116.00191	1.1
116.98618	100.0
119.01923	1.2
124.00787	0.7
126.02312	1.5
127.03263	38.7
128.03423	0.8
128.96664	0.6
128.98680	0.6
129.10199	1.2
134.01254	4.4
134.99654	78.6
139.01344	0.7
140.00220	2.2
140.03879	1.6
140.10686	2.8
142.01770	0.6
142.05403	1.2
142.08655	2.4
142.12276	1.6
143.02721	1.1
143.09007	3.1
144.03339	2.1
146.99680	1.5
147.03323	0.6
149.01312	0.7
152.02299	0.9
153.00711	14.8
153.02933	0.6
158.01285	3.1
158.04889	6.4
160.06468	7.8
162.04419	0.6
163.03894	3.5
163.06415	0.5
166.09818	0.6
170.04836	1.1
176.02399	0.7
176.06010	3.3
178.07526	4.2
184.09036	0.7
184.10864	0.8
186.10585	18.1
188.05945	5.6
189.00688	1.0
189.04362	16.4
199.19353	0.6
202.07579	1.2
206.06998	10.6
207.01772	1.2
207.05409	14.5
207.07254	1.2
212.06027	1.7
213.19704	0.8
215.03976	1.1
224.08038	20.1
229.08562	1.0
230.07002	17.9
230.09520	8.8
230.11395	10.4
230.15802	18.8
230.22295	1.8
231.05338	3.9
231.07333	0.6
233.05078	1.9
247.09720	0.9
248.08063	51.7
249.06392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
53.03957	0.7
54.34326	0.6
55.01881	0.8
55.05512	22.3
57.03421	1.6
57.07064	2.3
59.05002	6.0
67.05176	1.0
67.05509	18.0
69.03424	6.1
69.07072	13.2
69.92255	1.4
69.92669	3.2
71.04993	6.7
73.06559	0.7
78.26368	0.7
79.05489	3.2
80.27556	0.6
81.07058	12.4
83.04984	19.3
83.08624	14.2
85.06545	12.3
87.04478	1.6
91.05492	2.9
93.07056	7.1
95.04971	9.4
95.08607	12.0
97.06536	1.3
97.10176	2.6
98.20826	0.8
99.04461	0.9
99.08089	5.0
101.06016	2.6
104.54676	0.7
105.07035	3.9
107.08590	12.2
109.06506	0.9
109.10159	100.0
110.10528	1.2
111.08098	2.3
115.07556	0.8
115.53609	0.6
117.07015	1.1
119.01922	0.8
119.08588	8.5
121.06518	1.7
121.10137	5.8
123.08096	1.4
123.11713	20.4
125.09639	5.2
125.13289	0.7
127.04017	1.1
127.11195	42.2
131.08562	1.7
133.10138	9.3
133.91730	0.8
135.11688	8.9
137.09599	8.3
139.11188	0.7
141.12770	1.6
142.07761	1.0
143.08542	2.0
145.10141	2.5
147.11751	2.4
149.13237	4.6
151.11209	5.3
151.14809	1.4
153.12740	4.1
155.08577	1.4
155.10573	3.3
157.10161	1.2
159.11711	1.6
161.09641	4.7
167.07103	0.9
167.14320	13.9
168.09448	0.7
169.10089	1.0
169.12248	17.0
171.13803	1.3
173.09644	1.6
173.11760	9.5
173.13203	1.5
175.14803	4.4
179.10680	10.0
183.11720	1.5
185.13310	1.0
185.15404	4.6
193.15913	7.2
197.11737	11.5
201.08855	0.7
201.12737	1.1
201.16357	1.0
211.11259	1.3
211.13309	1.6
211.16936	30.6
226.63179	0.9
229.05057	1.4
229.08679	2.1
229.12469	3.6
229.15884	4.5
229.18022	7.7
229.19879	1.6
229.23586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.84626	0.3
56.96547	1.4
57.03429	1.0
58.06312	0.3
58.06596	5.6
59.07387	0.7
60.07883	0.4
60.08164	6.7
61.02939	0.7
68.05035	0.7
69.03416	0.8
70.06593	32.8
71.04990	0.3
71.09860	0.8
72.08150	1.1
73.02914	1.1
77.18217	0.3
81.04535	0.3
84.04476	0.6
84.08125	0.5
85.02888	1.5
85.12289	0.3
86.09695	1.0
92.64642	0.3
96.08125	1.0
97.02865	0.7
98.06049	0.8
98.97568	1.2
101.00860	1.0
102.05496	0.3
103.35693	0.3
110.51874	0.3
112.08702	0.3
114.05537	3.3
114.09171	1.8
115.02413	0.4
116.07114	1.7
116.98617	0.7
118.08655	0.7
119.01918	3.4
124.07590	3.2
126.09152	0.8
127.03908	1.0
128.02312	0.4
128.98499	0.3
133.03455	0.5
134.99657	0.3
137.02919	1.2
142.03531	0.3
142.08636	27.6
148.04759	0.5
151.04495	0.5
156.04195	0.9
161.02946	0.4
170.08093	1.9
173.02994	0.4
175.04541	1.5
183.02377	0.4
183.11266	0.5
184.04672	0.4
187.00914	0.5
187.04385	0.5
208.05907	0.4
215.00340	0.9
229.15472	100.0
230.07896	0.8
230.15785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
50.36830	0.3
55.01857	0.3
55.05513	0.5
56.96566	6.6
57.03439	0.3
58.06598	5.5
59.07366	1.1
59.07619	0.3
60.07874	0.4
60.08163	7.1
61.02903	0.3
68.05013	0.9
69.03444	0.3
69.07055	0.4
70.06591	31.7
70.73894	0.7
70.74229	0.3
71.95213	0.3
72.08152	1.8
83.04970	0.4
84.04488	0.7
84.08125	0.8
84.96041	0.3
85.02918	0.3
86.09698	2.0
89.03918	0.5
96.08115	1.2
97.02888	0.4
98.06033	0.7
98.97584	7.6
99.00761	0.4
99.04453	0.4
107.04945	0.4
110.07173	0.7
111.77467	0.3
114.05529	3.9
114.09138	1.8
116.07089	1.9
116.98612	7.0
117.03405	0.3
119.01914	1.4
124.07582	2.9
126.09170	0.7
127.03210	0.7
131.01938	0.4
133.43964	0.3
134.01309	0.4
134.02908	0.3
134.99663	5.6
135.04346	0.5
140.03737	0.3
142.08633	28.5
144.03273	0.5
153.00671	0.9
158.04880	0.9
160.06438	1.1
163.03900	2.9
163.97702	0.4
168.79941	0.3
169.03494	0.3
170.08105	1.0
171.03249	0.3
172.95152	0.4
176.05951	0.6
178.03177	0.3
178.07477	0.7
183.11386	0.5
186.96812	0.6
187.04503	0.4
188.05869	0.9
189.04291	1.2
190.96352	0.3
201.05797	0.3
205.05760	0.4
206.07013	1.6
207.05434	1.1
224.08017	2.7
229.15469	100.0
230.06985	1.7
230.15807	1.4
231.05452	0.4
233.05009	1.9
248.07999	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	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38058	1.1
55.05509	9.6
57.03186	1.4
57.03437	18.8
57.07066	2.5
57.33556	1.1
58.56361	1.1
59.04983	3.8
65.03929	1.3
67.05505	100.0
69.03434	1.3
69.07050	2.3
69.42260	13.4
70.06564	1.1
71.04990	4.3
79.05472	2.4
81.06625	2.0
81.07051	15.0
83.08617	8.8
85.06524	3.3
86.12395	1.2
91.05486	6.7
93.07029	4.7
95.08604	6.8
95.23010	1.3
105.07001	4.0
107.08576	3.1
109.10158	87.3
111.08119	2.2
114.22858	1.3
119.08587	6.9
128.06219	1.3
129.07010	1.5
131.08574	3.9
133.10101	3.4
137.09595	4.9
141.06876	1.4
142.07724	2.6
143.08617	2.7
145.10118	2.6
153.07037	1.7
155.08589	2.8
155.10637	4.8
157.10132	2.4
159.11682	7.8
168.09378	2.8
169.10158	3.3
173.09583	1.6
173.11725	33.6
173.13254	6.7
183.11690	7.4
185.13155	1.3
187.14822	2.9
200.82420	1.3
201.16283	1.3
211.11183	7.8
223.99693	1.4
229.08641	2.4
229.12187	12.4
229.14357	38.0
229.19389	7.9
229.23447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01876	7.9
55.05523	12.3
57.03409	4.8
57.07050	4.6
65.03915	1.8
67.05508	32.0
69.03402	5.0
69.07071	16.1
70.06574	3.3
70.07416	1.7
70.73592	2.8
70.73959	3.2
71.04997	7.4
79.05493	14.6
81.03397	2.2
81.07063	55.3
83.04985	8.6
83.08619	10.7
85.02888	4.3
85.06522	5.3
86.83318	1.5
91.04975	1.9
91.05486	27.1
93.07056	17.4
95.04941	6.9
95.08620	23.3
97.02905	10.8
97.06540	13.8
98.06002	1.8
98.97550	5.5
99.00782	4.1
99.08066	3.3
101.05981	2.5
105.06400	2.2
105.07037	33.2
107.04889	1.8
107.08600	15.6
109.06548	10.0
109.09487	1.5
109.10162	22.0
111.08060	2.5
113.06003	2.9
115.05465	2.5
116.98573	6.3
117.07007	2.3
119.08585	32.0
121.10148	17.0
123.08043	5.8
123.10844	1.5
123.11713	25.1
125.09641	2.2
127.07562	2.6
128.06184	1.6
128.15907	1.9
129.06972	7.0
131.08517	9.4
133.10139	12.1
134.99619	2.8
135.11705	4.0
137.06007	1.7
137.09590	4.3
137.13242	3.8
141.06918	2.4
142.07710	3.6
143.08536	3.2
145.06421	2.5
145.10077	7.0
147.11694	85.4
149.09593	3.2
153.06920	2.1
155.08504	6.4
157.10117	18.9
159.07967	2.5
159.11649	5.9
165.12772	35.7
167.07060	1.9
168.09215	1.9
169.10045	3.8
171.11658	2.4
173.05994	3.9
173.09598	2.8
173.11806	4.0
173.13206	4.6
175.11214	21.6
175.14778	3.5
177.00607	3.2
180.99731	1.8
181.15834	1.8
183.08012	2.4
183.11649	5.8
183.13716	2.7
185.13313	2.5
186.06870	2.9
187.07356	2.5
187.11115	2.4
187.14708	2.6
193.12273	10.2
193.15913	1.9
201.09030	3.5
201.12558	2.5
201.16380	2.5
209.09070	2.0
211.07555	2.0
211.11250	3.2
211.13240	4.5
211.14998	3.0
211.16826	7.7
229.04849	4.2
229.08904	9.7
229.12244	10.4
229.14264	100.0
229.19342	10.0
229.23369	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	3.6
55.01874	21.0
55.05508	25.6
57.03441	30.5
57.07073	5.6
59.04987	4.0
65.03935	5.6
67.05505	88.9
69.03429	53.8
69.07066	25.3
70.06588	4.2
71.01348	6.5
71.04982	10.8
71.59838	4.2
74.03724	3.8
79.05487	26.4
81.03421	20.3
81.07055	100.0
83.01344	7.3
83.04986	22.6
83.08622	15.4
85.02906	37.8
85.06556	5.6
88.07633	4.5
91.05488	26.1
93.07055	24.2
94.21631	4.0
95.04964	12.3
95.08606	25.4
97.02895	44.5
97.06516	12.5
99.00787	4.8
99.04465	12.1
99.08131	6.0
105.07031	40.5
107.08593	20.1
109.06517	10.8
109.10147	52.1
111.04454	9.5
113.06015	3.9
115.03923	6.1
117.07019	8.7
119.08580	47.0
121.06447	4.8
121.10159	34.3
123.04419	4.5
123.08099	4.3
123.11732	31.3
125.70013	4.0
127.03923	7.7
128.06169	3.9
129.06990	5.8
131.08582	17.1
133.10133	12.6
135.11743	3.8
139.03915	7.0
141.07010	5.1
142.07803	4.7
142.81071	3.5
143.03427	6.0
143.08615	9.1
145.10094	18.5
146.07303	4.7
147.04407	4.0
147.11682	91.3
147.12807	7.7
153.06921	4.3
153.16351	3.6
155.08566	11.8
157.10150	18.5
159.08098	5.7
159.11668	25.1
163.03920	5.1
163.72783	4.0
165.05470	5.8
165.12766	44.8
168.05635	3.8
168.09428	4.1
169.10094	10.5
171.11633	6.7
173.09624	10.1
173.11728	18.3
173.13272	17.8
181.05014	5.4
183.11667	8.8
183.13866	5.7
185.13275	11.2
187.11134	6.2
187.14856	8.8
193.12114	3.6
201.16331	6.2
211.05920	5.6
211.11191	6.1
229.04985	7.3
229.08606	12.7
229.12245	23.6
229.14299	19.0
229.15912	31.9
229.19518	46.7
229.23524	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	229.1436
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.03945	1.1
55.01875	6.4
55.05508	5.5
57.03422	2.8
67.05509	16.0
69.03424	1.6
69.07064	9.1
70.13713	2.2
70.14129	2.0
71.04974	2.3
79.05494	10.9
81.07061	48.9
83.04980	4.9
83.08635	4.5
85.02890	1.8
85.06538	3.9
91.05485	21.8
93.07059	10.1
95.04961	4.5
95.08601	7.7
97.02861	1.8
97.06536	9.8
99.04455	0.9
99.08083	2.3
105.07037	27.3
107.04942	1.6
107.08593	8.5
109.06529	7.6
109.10136	3.6
111.04485	1.3
111.08094	1.2
113.05984	1.6
119.08591	24.4
121.10137	14.1
123.08102	1.4
123.11717	21.9
124.24792	0.8
127.07553	1.5
129.07010	6.3
131.08601	5.6
133.10150	8.3
136.35277	0.8
137.13194	1.1
142.07764	2.3
143.08568	1.3
145.10138	2.4
147.11694	80.6
149.09627	3.1
155.08551	1.7
157.10139	17.2
165.12767	35.6
169.10164	0.8
175.11194	18.8
182.60683	0.8
183.11671	0.9
183.13803	1.4
187.11092	1.0
193.12216	6.7
211.13321	2.8
225.54271	0.9
229.14345	100.0
229.19395	2.8
230.14700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.00245	4.4
54.46455	5.0
55.01864	17.7
55.05502	14.1
57.03443	12.2
65.53565	4.3
65.89927	4.4
67.05505	51.6
69.03428	34.4
69.07062	14.8
69.35901	4.7
69.78823	31.0
71.05006	9.5
79.05495	18.7
81.03434	6.2
81.07067	83.8
83.04983	14.9
83.08643	7.8
85.02930	24.3
86.23409	4.4
87.04454	4.3
91.05474	32.8
93.07039	16.0
95.04950	9.8
95.08615	20.2
97.02899	18.5
97.06539	10.5
99.00804	5.2
99.04487	6.3
105.07036	39.6
107.08607	22.5
109.06535	9.8
109.10142	24.5
113.06049	4.9
117.07037	8.3
119.08578	37.2
121.10157	22.7
123.04392	5.7
123.11673	39.1
128.06226	5.6
129.07027	10.6
131.08614	21.9
132.09355	5.5
133.10141	10.8
141.06985	8.5
142.07739	5.8
143.08592	11.4
145.10110	15.6
147.11703	100.0
153.07005	9.6
154.07753	4.8
155.08560	23.2
157.10176	21.7
159.11748	15.4
165.12764	46.1
167.08623	8.7
168.09354	24.6
169.10129	16.7
171.11737	9.1
173.13286	10.5
175.11205	15.1
183.08101	5.6
183.11659	38.0
187.14862	7.5
193.05069	5.0
193.12296	12.2
211.11208	57.5
229.04912	7.0
229.06911	8.2
229.08858	7.2
229.12238	55.0
229.14388	56.5
229.16235	10.5
229.19470	38.0
229.23622	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	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01872	6.1
55.05500	5.3
57.03421	2.1
57.07065	1.0
61.22655	0.6
67.05507	17.1
67.99641	0.7
69.03415	2.4
69.07066	7.9
70.23533	3.3
71.04994	3.4
79.05498	10.6
81.07059	43.3
83.04992	4.3
83.08624	4.8
85.02898	1.9
85.06542	3.7
91.05482	23.6
93.07045	10.3
93.73571	0.7
95.04971	5.3
95.08611	10.0
97.02883	1.2
97.06538	11.6
99.04401	0.8
99.08062	1.5
101.06056	0.8
105.07031	27.1
107.04954	1.3
107.08595	7.5
109.06518	7.7
109.10172	3.5
111.04446	1.0
113.05978	2.3
117.07001	1.5
119.08586	27.1
121.06548	0.7
121.10143	15.0
123.08086	2.2
123.11710	22.0
127.07561	1.4
128.06168	0.8
129.06998	7.0
131.08557	4.6
133.06514	1.0
133.10143	8.4
137.13206	1.8
139.18568	0.7
142.07758	2.5
143.08551	0.9
145.10127	2.5
147.11691	76.6
148.12003	1.1
149.09610	2.9
155.08528	1.7
157.08928	1.2
157.10132	16.8
158.03276	0.7
159.11673	2.3
165.12761	38.0
169.10080	1.0
171.11685	0.7
173.13220	1.6
175.09756	1.3
175.11189	20.6
183.11703	1.6
183.13773	2.2
187.07457	0.7
187.14803	0.7
193.12271	8.3
211.11337	1.3
211.13255	2.9
211.14992	0.9
229.08626	2.4
229.14328	100.0
229.19060	3.3
230.14697	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	(1R,4S)-1-hydroperoxy-p-menth-2-en-8-ol acetate
Peak:m/z	Relative Intensity
55.01873	0.5
55.05508	9.6
55.05754	0.9
56.96561	1.3
57.03434	17.6
57.07074	2.2
59.04996	4.5
65.03939	1.7
67.05500	100.0
68.05826	1.6
68.99793	0.4
69.03428	3.0
69.07063	3.4
69.77047	3.3
71.04995	4.4
72.12372	0.4
79.05489	2.6
81.07052	15.9
82.82380	0.5
83.04982	1.3
83.08611	8.2
85.02892	1.5
85.06529	3.6
91.05470	5.8
93.07042	3.8
94.21296	0.6
95.04953	1.5
95.08605	7.4
96.08949	0.9
97.02874	1.1
97.06521	1.0
99.04480	0.6
99.08093	0.6
103.03929	1.3
105.07002	1.8
107.08575	3.4
109.02859	0.6
109.10149	88.6
110.10482	1.3
111.08072	3.2
115.05462	0.5
117.06994	1.1
119.07785	0.7
119.08574	8.2
121.10143	1.3
127.11188	0.6
129.06961	0.7
131.08563	1.8
133.10118	1.4
137.09616	3.4
141.06894	0.5
143.08536	0.9
144.04419	1.1
145.06444	0.6
145.10129	1.8
147.11662	1.2
155.08531	1.4
155.10655	4.9
157.10083	0.8
158.10857	0.8
159.08092	0.8
159.11714	2.6
167.02324	0.5
168.09315	0.8
168.35890	0.6
169.06439	0.6
169.10086	0.8
171.08028	0.5
173.11740	33.5
173.13174	2.2
176.15135	0.6
182.61356	0.5
183.08052	0.7
183.11655	2.1
187.07541	0.5
187.11099	0.7
187.14691	0.7
189.14919	0.5
190.40390	0.5
196.08833	0.6
201.09122	0.5
201.12761	1.0
201.16328	0.8
211.11093	1.1
211.14801	0.6
229.04790	1.1
229.08609	0.9
229.12256	4.5
229.14268	44.8
229.19373	5.3
229.23442	1.3
230.14531	0.9
237.34903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01874	0.9
55.05510	10.8
56.37236	0.9
56.96563	5.1
57.03433	19.3
57.07055	3.5
57.07303	0.7
57.27282	0.7
58.06589	1.4
59.04997	4.8
60.08149	3.8
61.08471	0.8
65.03924	1.8
67.05502	100.0
69.03403	1.6
69.07053	3.5
69.51804	0.9
70.06558	1.2
71.04993	4.5
71.08630	0.9
71.57740	1.4
79.05480	2.9
81.06579	1.2
81.07053	18.4
83.04957	1.0
83.08604	8.1
85.06527	3.3
86.06062	1.2
91.05475	9.0
93.07055	5.1
95.04972	1.0
95.08616	8.1
99.00806	1.1
99.08086	1.7
102.10152	0.9
105.07009	3.6
107.08573	3.8
109.06456	1.0
109.10150	97.4
110.10503	1.4
111.08058	4.6
117.01851	0.9
117.06991	2.9
119.08585	10.2
121.10179	1.6
129.07014	1.6
131.08560	7.1
133.10117	3.1
137.09596	5.1
143.08554	3.2
145.10101	5.6
153.07045	1.4
154.07680	1.1
155.08499	2.5
155.10661	5.6
156.09344	1.0
157.10104	1.8
159.11659	4.8
161.13272	0.9
163.62068	0.8
168.09337	2.1
169.10080	1.8
170.10948	1.2
171.11610	1.6
173.09579	1.7
173.11746	38.1
173.13199	2.6
174.12070	1.1
176.09604	1.0
183.11687	5.5
185.09946	2.5
185.13272	1.8
185.60274	1.0
187.11177	0.9
187.14851	1.1
188.10587	0.9
194.10588	4.8
194.60869	1.0
196.08888	0.9
196.60889	1.2
201.12743	1.6
201.16389	1.3
205.61407	1.5
205.98694	1.2
211.11211	5.4
212.09041	0.8
229.04997	1.3
229.08574	2.2
229.12187	11.2
229.14348	41.4
229.19394	8.4
229.23647	1.6
229.27196	30.2
230.24767	1.9
238.13054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03933	0.7
55.01874	0.8
55.05508	7.1
56.96559	0.5
57.03437	18.0
57.07082	1.6
58.06578	0.5
59.05006	4.6
65.03941	1.4
67.05503	100.0
69.03423	0.8
69.07066	1.7
69.85455	2.1
69.85862	1.1
71.05003	3.8
79.05507	1.7
81.07053	15.3
81.07522	0.9
83.08617	7.3
85.06532	3.7
87.04495	0.5
91.05480	6.7
91.06020	0.7
93.07068	3.5
95.04951	0.8
95.08601	6.0
98.20844	1.1
99.00896	0.4
99.08071	0.6
103.40752	0.4
105.07036	1.3
107.08593	1.9
109.10155	87.0
110.10474	0.9
110.85588	0.5
111.08057	3.4
117.07022	0.7
119.08587	6.7
121.10091	0.5
127.11208	0.5
128.21419	0.5
131.08565	1.2
137.09612	4.4
142.07750	0.5
143.08575	1.0
145.10139	1.7
147.11649	1.2
155.08569	1.1
155.10695	4.6
157.10104	0.7
159.11652	1.6
161.13297	0.5
169.10112	0.8
171.11699	0.8
173.11740	30.1
173.13181	1.3
183.11696	1.8
185.13161	0.6
187.11040	0.8
201.12755	0.7
211.11185	1.5
229.12259	3.5
229.14305	39.4
229.19310	3.1
230.04552	0.6
230.24774	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.85079	0.7
53.12595	0.7
54.77237	0.7
55.05508	8.0
56.96557	0.8
57.03436	21.3
57.07066	2.4
59.05003	6.0
65.03936	1.2
67.05503	100.0
69.03426	2.0
69.07064	3.5
71.04982	4.9
71.59770	1.5
79.05483	4.2
80.14413	0.7
81.07059	16.2
83.04990	1.3
83.08607	6.9
85.02908	1.4
85.06536	4.7
91.05476	7.0
93.07052	5.2
95.04992	1.4
95.08600	7.7
97.02926	1.3
99.00828	0.8
99.08135	1.0
103.03962	1.5
104.18425	0.7
105.07020	4.2
107.04997	1.2
107.08569	3.7
109.06549	1.0
109.10150	93.1
110.10473	1.2
111.08099	2.9
115.05447	1.0
117.07012	2.0
119.01892	0.9
119.08591	10.2
121.06512	1.2
121.10164	1.8
123.11671	0.8
128.06258	1.2
129.05470	0.7
129.07028	3.2
131.08530	3.5
133.10168	2.4
137.06003	1.1
137.09616	5.6
137.74409	0.7
141.07019	2.0
142.07791	2.0
143.08563	3.6
145.06506	2.1
145.10146	4.1
147.07932	1.1
147.11777	1.7
153.06972	1.3
155.08580	2.4
155.10651	4.7
157.10219	2.1
159.08080	1.1
159.11739	4.2
167.08540	1.2
168.09383	3.1
169.10216	2.8
170.10954	1.0
171.08191	0.9
171.11739	1.8
173.06033	2.0
173.09613	1.9
173.11754	35.2
173.13254	4.2
183.11682	9.3
184.71301	0.7
185.09564	0.8
185.13393	1.4
187.11227	2.3
187.14824	1.2
193.12198	1.0
201.12840	2.7
211.07544	0.9
211.11163	8.3
214.09947	0.9
229.04994	2.1
229.08714	1.8
229.12263	13.0
229.14435	42.5
229.19363	6.7
229.23608	2.4
230.14703	1.7
240.41356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
55.01860	1.2
55.05499	1.5
57.07073	0.6
67.05512	3.2
69.03412	0.9
69.07052	1.3
69.55676	3.9
73.02927	0.8
75.06922	0.4
79.05499	2.3
79.88399	0.5
81.07044	1.5
91.05492	4.5
93.07034	2.3
95.04961	1.1
95.08594	1.4
103.05485	0.9
105.03398	0.8
105.07033	10.5
107.04997	0.6
107.08603	1.4
109.10159	2.0
115.05437	2.2
117.07018	8.5
119.08582	9.9
121.10117	0.8
128.06216	6.9
129.07018	10.0
130.07817	1.1
131.08580	12.0
132.09355	11.7
133.10139	5.5
135.08006	0.5
141.06998	9.9
142.07788	11.1
143.08568	18.1
144.09380	3.4
145.06461	1.3
145.10136	8.6
146.91815	0.8
149.05984	0.7
152.06184	0.7
153.06985	11.0
154.07756	4.7
155.08557	24.8
156.09343	8.0
157.10132	16.9
158.07254	0.7
158.10921	2.4
159.08052	2.4
159.11710	7.6
165.06975	1.2
166.07784	1.4
167.08617	4.6
168.09348	33.7
169.06477	2.2
169.10141	23.7
170.07236	0.5
170.10902	11.5
171.08270	0.6
171.11691	17.9
172.08904	0.6
173.05986	1.3
173.09613	1.6
173.11839	0.6
173.13261	6.8
178.07787	1.0
181.06470	2.0
181.10130	4.0
182.07260	1.3
182.10887	0.6
183.08145	2.0
183.11702	82.3
184.12410	2.8
185.09677	0.8
185.13263	11.5
187.07513	4.2
187.11194	5.2
187.14841	0.8
193.10071	3.7
196.08849	6.3
196.12445	0.6
201.09122	1.8
201.11032	0.8
201.12758	11.0
211.11186	61.8
211.14728	2.2
212.11557	0.6
214.09882	1.0
229.12247	100.0
229.15584	7.2
229.19502	3.7
230.12590	0.9
234.98512	0.5
247.13251	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03922	0.6
53.51516	0.3
55.01856	1.6
55.05511	3.1
57.03429	0.4
57.07059	0.8
65.03922	0.5
67.05505	4.4
69.03417	0.6
69.07068	3.2
71.08628	0.4
71.60432	0.6
73.02902	0.7
79.05122	0.4
79.05502	3.9
81.07058	5.6
83.04987	0.5
83.08602	1.4
91.05479	8.3
93.07043	5.8
95.04949	1.1
95.08610	5.9
97.10169	0.4
97.85078	0.3
103.05449	0.8
105.07038	13.3
107.04922	0.8
107.08596	5.8
109.06471	0.4
109.10168	3.7
110.68576	0.3
115.05422	2.1
116.06247	1.1
117.06216	0.7
117.07015	11.9
118.97201	0.4
119.08578	12.4
121.06519	0.9
121.10133	6.0
123.08090	0.4
123.11720	0.9
128.05266	0.4
128.06216	7.4
129.07002	11.3
130.07785	1.9
131.04878	0.6
131.08568	21.8
131.12364	0.3
132.09357	10.4
133.06538	0.7
133.10133	10.5
135.04417	1.0
135.08063	0.5
135.11696	2.6
141.06989	12.1
142.07782	10.9
143.08560	18.3
144.09375	3.3
145.06453	2.5
145.10126	18.2
147.11679	4.8
149.05908	0.6
149.13251	0.5
152.06226	1.2
153.06984	11.5
154.07793	5.7
155.08554	22.4
156.09351	6.0
157.06522	1.0
157.10132	15.9
158.07295	0.5
158.10938	2.9
159.08076	5.7
159.11693	23.5
160.12456	0.4
161.09566	0.7
161.13258	1.3
165.06984	1.5
166.07784	1.5
167.08585	5.7
168.09348	28.0
169.06483	4.0
169.10132	22.8
170.10922	9.0
171.08038	1.4
171.11694	10.5
172.08795	1.1
172.12450	0.8
173.05994	1.6
173.09622	4.6
173.13258	22.0
175.90375	0.4
178.07787	1.6
181.06476	1.8
181.10118	4.0
182.07278	1.1
182.10919	0.9
183.08339	2.4
183.11694	69.9
184.12329	1.7
185.09621	3.4
185.13258	11.4
186.10435	2.1
186.13954	0.6
187.07596	4.3
187.11177	11.4
187.14824	6.1
193.10123	3.5
195.07993	0.5
196.08856	6.8
196.12473	0.8
199.07527	0.4
199.11142	1.0
199.14847	0.5
200.11974	0.5
200.15631	0.5
201.09077	1.4
201.12737	9.6
201.16391	3.5
211.11183	63.3
211.14772	3.7
212.11543	1.0
214.09903	1.0
214.13516	0.6
229.12248	100.0
229.15797	25.9
229.19493	41.8
230.12593	1.4
247.13249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1222
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03930	0.4
55.01859	1.5
55.05511	3.0
57.03431	0.5
57.07078	0.6
67.05504	4.3
67.51108	0.4
67.98896	0.4
69.03417	0.9
69.07061	2.6
69.38445	3.7
70.07397	0.4
73.02924	0.5
76.66082	0.4
79.05487	3.6
81.06641	0.6
81.07056	5.5
83.04961	0.8
83.08582	1.1
85.06522	0.5
91.05476	8.5
93.07045	6.5
95.04952	1.8
95.08604	5.2
95.09169	0.6
97.06540	0.4
97.10100	0.4
103.05457	0.7
105.03369	0.6
105.07030	12.3
107.04944	0.8
107.08591	6.1
109.06508	0.5
109.10167	4.0
115.05433	2.8
116.06236	0.7
117.07013	10.7
118.07843	0.4
119.08582	11.8
121.06503	0.6
121.10147	5.3
123.04453	0.5
123.11691	1.0
128.06195	5.8
129.07004	10.3
130.07764	1.6
131.04898	0.7
131.08562	19.2
132.09351	9.3
133.06503	0.8
133.10129	9.7
135.04384	0.5
135.08040	0.8
135.11707	3.5
138.77313	0.4
141.06985	11.1
142.07776	11.4
143.08559	19.3
143.09695	0.9
144.09332	3.2
145.06390	1.8
145.10123	16.5
147.08023	0.8
147.11713	4.3
149.05980	0.8
149.13255	0.7
152.06223	0.8
153.06992	9.2
154.07788	5.2
155.08551	22.8
156.09352	5.0
157.06493	0.9
157.10130	14.7
158.10959	2.6
159.08060	5.5
159.11687	18.9
161.09663	0.7
161.13260	1.2
165.07069	1.2
166.07729	1.4
167.08563	6.8
168.09346	27.0
169.06435	3.2
169.10126	21.4
170.10896	9.1
171.08095	1.5
171.11691	10.4
172.08849	1.3
172.12393	0.8
173.06000	1.5
173.09637	4.6
173.13263	19.8
178.07742	1.3
181.06487	1.7
181.10112	3.6
182.07280	1.1
182.10904	0.8
183.08292	2.0
183.11690	66.7
184.08775	0.4
184.12296	2.0
185.09683	3.3
185.13240	11.0
186.10384	2.1
186.14040	0.9
187.07602	3.9
187.11176	11.5
187.14801	6.2
193.10117	3.7
196.08833	6.4
196.12503	1.1
199.11130	1.3
199.14885	0.6
200.08243	0.6
200.12013	0.7
201.09068	2.2
201.12726	10.9
201.16354	3.4
204.71111	0.4
211.11172	59.6
211.14801	3.1
212.11487	0.8
214.09895	1.1
214.13577	0.7
229.12242	100.0
229.15808	27.7
229.19485	41.8
230.12575	1.1
247.13339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0707
Annotation	2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
Peak:m/z	Relative Intensity
53.03936	6.3
53.73678	1.6
55.01876	10.5
55.05504	7.1
57.03179	2.4
57.03436	26.0
57.47407	1.9
59.04985	1.6
61.02914	4.0
61.85007	1.5
65.03931	6.7
67.01854	5.3
67.05508	22.2
68.99786	2.0
69.03431	87.6
69.07056	4.4
69.50513	2.4
69.50922	11.5
71.01344	4.6
71.04979	5.7
73.02911	4.1
79.05489	17.0
81.03423	42.5
81.07059	19.1
83.01340	21.0
83.04988	18.6
83.08605	2.7
85.02908	65.7
87.04477	8.7
91.03960	2.1
91.05489	15.6
93.03384	2.0
93.07022	4.7
94.18037	1.8
95.04958	17.2
95.08593	7.2
97.02894	100.0
97.06518	6.1
98.03680	2.4
99.04456	14.0
101.02393	5.6
105.07056	8.0
107.04964	14.8
107.08560	5.1
109.02863	4.7
109.06503	7.7
109.10172	10.7
111.04441	24.5
113.02360	7.3
115.03958	12.0
117.05461	2.7
117.07027	3.1
119.04922	4.3
119.08561	5.7
121.02848	2.9
121.10139	2.7
123.04440	11.1
125.02349	4.9
125.06013	9.6
127.03923	9.1
131.03410	13.1
131.08560	8.7
133.10110	3.1
135.04440	14.6
137.02330	2.6
137.05969	10.5
139.03899	14.3
142.07724	1.9
143.03427	12.1
143.08545	4.3
145.10144	9.3
147.04413	3.1
147.11699	3.2
151.03897	3.1
153.01772	3.8
153.05499	6.9
155.07063	3.3
155.08499	3.3
157.10097	6.1
159.07973	1.8
159.11710	7.2
163.03911	4.9
165.05466	15.7
169.04979	1.6
169.10139	3.9
170.10844	2.7
171.06503	2.0
171.11700	3.9
173.09575	3.2
173.11729	3.9
173.13271	5.8
175.03900	2.1
181.04997	6.9
183.06517	3.6
183.11723	3.3
185.13242	4.1
187.11177	5.1
187.14890	4.6
190.39352	1.7
193.04971	14.6
201.16383	6.2
211.06038	10.1
211.14893	2.2
211.16817	2.3
229.04933	2.9
229.06964	17.9
229.12466	9.5
229.14035	3.0
229.16104	15.4
229.19545	22.6
229.23511	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	227.2004
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
53.03936	2.2
55.01865	13.4
55.05502	22.6
56.96562	6.1
57.03431	3.7
57.07069	8.2
59.04988	4.9
65.03947	1.7
67.05502	37.7
69.03433	3.9
69.07066	42.3
69.07447	2.1
69.65197	1.6
70.19626	2.3
70.19983	6.5
71.04990	71.6
73.02912	1.7
79.05498	18.5
81.07053	59.0
83.04993	3.4
83.08614	26.0
85.06536	40.0
91.05480	11.0
93.07039	34.5
95.04962	3.7
95.08602	100.0
97.06531	73.3
97.07034	1.0
97.10171	9.5
98.21452	1.9
98.97599	2.1
99.04493	1.7
99.08094	10.9
100.11252	7.3
103.05461	4.0
105.07048	6.4
107.04951	4.8
107.08585	31.7
109.06503	3.3
109.10152	68.1
111.04446	2.6
111.08083	5.2
111.11727	2.3
113.09648	4.6
116.98613	2.9
117.07056	1.6
119.08595	6.9
121.06477	9.7
121.10136	25.9
123.04450	5.0
123.11703	23.8
124.05186	2.5
125.09613	4.0
125.13300	2.5
127.11220	4.4
128.06168	1.6
129.07076	1.9
131.04889	2.9
131.08559	8.5
134.99681	2.8
135.04414	1.4
135.08095	1.6
135.11693	33.8
137.05986	6.6
137.13295	3.2
140.04716	2.5
143.08578	5.0
145.10130	6.2
147.07996	1.9
149.05977	10.6
149.09621	5.0
149.13261	11.3
151.03954	1.8
151.14734	2.6
153.12727	5.1
155.07014	1.7
156.09323	2.1
157.10101	10.0
158.99699	2.5
159.04359	1.9
159.11719	3.0
163.07564	1.7
163.11220	7.3
163.14809	4.0
165.09100	1.5
165.16382	2.3
167.07031	69.6
167.10730	3.0
169.10098	1.6
171.11716	8.8
173.09589	1.6
177.05450	22.6
181.04906	3.1
181.12257	2.0
183.11743	1.7
185.09624	2.8
185.13284	5.8
191.07062	1.8
191.10652	5.1
191.17937	13.5
191.82245	1.4
209.08110	6.5
209.11739	6.3
209.18994	36.6
212.12045	1.8
227.07074	5.1
227.10722	3.4
227.12672	5.0
227.14622	8.9
227.17877	19.3
227.20088	12.3
241.40442	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.05510	9.0
56.96561	1.4
57.07056	0.6
58.06599	30.4
58.73960	0.4
60.04525	12.2
64.64877	0.5
65.03949	0.6
67.05512	3.1
69.03421	0.7
69.07061	3.5
70.06582	1.3
71.04994	7.3
71.58344	0.9
72.08157	0.7
73.06550	0.8
73.65316	0.4
79.05500	1.0
81.07060	3.3
83.04980	100.0
83.08616	4.7
84.08939	1.4
87.06881	0.7
91.05479	1.5
92.05827	0.5
93.07047	2.5
95.04964	3.5
95.08596	0.5
97.06547	4.3
98.09713	1.5
98.97585	6.9
99.08098	3.6
99.97898	0.6
100.07616	15.3
100.11239	0.7
101.06034	1.3
105.07033	1.6
107.04974	0.5
107.08611	3.7
108.08885	1.2
109.06516	18.0
109.10152	2.2
110.10499	0.5
116.98614	4.6
119.08553	0.5
121.10099	0.6
123.08079	0.6
123.11710	2.5
131.00174	0.5
133.10143	1.9
134.99667	1.5
135.11703	1.9
136.12022	1.1
137.94382	0.5
140.10725	0.6
142.08627	14.2
149.01266	0.6
151.11183	11.7
151.12364	1.0
158.01183	0.5
158.99654	2.6
160.09702	3.4
168.07362	1.3
169.12241	1.3
173.01288	0.5
177.00716	4.3
178.01030	1.0
186.07388	0.8
186.57365	3.3
187.02734	0.6
195.07841	1.1
195.57971	4.0
196.08209	0.5
197.05823	0.7
204.08281	0.6
204.58476	1.3
207.02068	0.6
207.08940	1.0
210.14923	1.4
228.15950	33.4
228.23199	2.7
229.16216	0.6
244.99625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	0.3
55.05515	4.4
57.07080	2.1
58.11107	0.2
67.05499	0.7
67.57841	0.2
69.07073	3.8
70.49363	0.7
71.08630	0.3
79.05492	0.9
81.07051	0.9
83.08620	3.1
91.05493	1.2
93.07035	0.9
95.08603	1.0
97.10162	0.9
100.11258	0.4
103.05477	0.2
105.07040	3.3
107.08617	1.0
109.10135	0.3
115.05453	0.4
117.07034	0.5
118.98045	0.6
119.08583	3.6
121.10144	0.8
128.06227	2.8
129.07011	4.2
130.07799	0.7
131.08574	3.3
133.10123	1.1
136.99103	0.2
141.06956	1.9
142.07782	8.9
143.08565	21.1
144.09293	0.6
145.10126	9.7
147.11713	0.3
154.07733	0.4
155.08539	2.0
156.09360	10.2
157.10133	43.1
158.10725	0.7
159.11699	4.8
165.07080	0.2
167.08543	0.4
168.09312	0.5
169.10135	2.7
170.10924	2.9
171.11693	63.6
172.12212	0.9
173.13263	0.8
178.11212	0.2
181.04898	0.2
181.10129	1.5
182.10826	0.2
183.11696	3.1
184.12514	1.4
185.09837	1.0
185.13268	31.4
186.13622	0.5
197.09628	0.3
197.13272	1.7
198.14003	1.4
199.11235	0.3
199.14845	2.3
209.09752	0.4
209.11546	0.3
209.13335	0.4
211.14684	0.2
212.12038	0.4
212.15688	0.6
213.65721	0.2
227.14284	4.8
227.17949	100.0
228.18327	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48072	0.3
55.05517	3.5
57.07074	2.5
60.80447	0.3
64.87135	0.3
67.05501	0.7
69.07067	4.0
70.35995	0.5
70.36384	0.6
71.08621	0.4
79.05483	1.0
81.07073	1.0
83.04987	0.4
83.08624	3.0
86.65726	0.3
91.05487	1.0
93.07040	1.1
95.04969	0.4
95.08601	1.1
97.10174	0.8
100.11260	0.3
103.05561	0.3
105.07032	3.6
107.08599	1.0
109.10196	0.4
115.05433	0.5
117.07030	0.7
119.08584	2.8
121.10163	0.4
128.06245	2.3
129.07027	3.8
130.07813	0.7
131.08577	3.3
133.10118	0.9
141.07005	1.5
142.07784	9.8
143.08565	21.2
144.09407	0.4
145.10135	8.4
155.08582	2.2
156.09355	9.8
157.10133	41.9
158.10529	0.5
159.11687	4.1
166.07904	0.4
167.07172	0.3
168.09334	0.8
169.10152	2.7
170.10913	2.5
171.11697	60.5
172.12157	1.2
173.13249	0.7
179.08464	0.3
181.10059	1.6
183.11720	3.2
184.12466	1.5
185.09674	0.9
185.13263	28.7
186.13812	0.4
197.09554	0.3
197.13211	1.1
198.14035	1.3
199.14833	2.4
209.13257	0.9
209.75945	0.3
210.14069	0.3
212.11958	0.5
212.15524	1.0
225.16570	0.4
227.10971	1.3
227.14288	5.1
227.17953	100.0
228.18321	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48072	0.3
55.05517	3.5
57.07074	2.5
60.80447	0.3
64.87135	0.3
67.05501	0.7
69.07067	4.0
70.35995	0.5
70.36384	0.6
71.08621	0.4
79.05483	1.0
81.07073	1.0
83.04987	0.4
83.08624	3.0
86.65726	0.3
91.05487	1.0
93.07040	1.1
95.04969	0.4
95.08601	1.1
97.10174	0.8
100.11260	0.3
103.05561	0.3
105.07032	3.6
107.08599	1.0
109.10196	0.4
115.05433	0.5
117.07030	0.7
119.08584	2.8
121.10163	0.4
128.06245	2.3
129.07027	3.8
130.07813	0.7
131.08577	3.3
133.10118	0.9
141.07005	1.5
142.07784	9.8
143.08565	21.2
144.09407	0.4
145.10135	8.4
155.08582	2.2
156.09355	9.8
157.10133	41.9
158.10529	0.5
159.11687	4.1
166.07904	0.4
167.07172	0.3
168.09334	0.8
169.10152	2.7
170.10913	2.5
171.11697	60.5
172.12157	1.2
173.13249	0.7
179.08464	0.3
181.10059	1.6
183.11720	3.2
184.12466	1.5
185.09674	0.9
185.13263	28.7
186.13812	0.4
197.09554	0.3
197.13211	1.1
198.14035	1.3
199.14833	2.4
209.13257	0.9
209.75945	0.3
210.14069	0.3
212.11958	0.5
212.15524	1.0
225.16570	0.4
227.10971	1.3
227.14288	5.1
227.17953	100.0
228.18321	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03951	5.2
55.01867	6.6
55.05514	32.9
56.96563	5.1
57.03437	6.9
57.07083	9.7
59.05001	8.0
60.41742	1.8
63.74590	1.9
65.03938	2.0
65.91256	2.1
67.05507	18.3
69.03426	10.2
69.07072	28.2
70.06591	2.2
71.04993	22.9
71.60468	2.9
73.02905	6.5
75.04463	3.1
79.05501	23.1
80.05041	2.1
81.03427	7.8
81.06591	2.6
81.07063	45.7
82.06578	5.2
83.04990	13.3
83.08635	22.4
84.04495	3.0
85.06554	16.2
86.09707	4.4
87.04473	12.0
91.05499	21.0
93.07046	52.4
95.04977	85.9
95.08615	32.6
97.02894	5.5
97.06541	26.8
97.10178	9.2
98.09731	2.2
98.97601	18.9
99.04462	25.5
99.08087	18.0
100.11266	57.5
103.05481	9.2
105.07046	16.8
107.04965	8.6
107.08598	53.0
109.02881	2.3
109.06506	13.7
109.10165	45.5
110.06056	2.9
111.04466	3.7
111.08115	10.2
113.06023	6.2
114.03804	3.0
115.07590	7.5
116.98627	18.0
117.07076	5.6
119.01886	2.5
119.08574	17.2
121.06512	19.1
121.10156	26.4
123.04452	10.1
123.08084	10.7
123.11714	36.1
125.05977	3.8
125.09632	14.4
127.07564	4.3
128.02299	2.4
128.07088	2.6
131.04948	6.5
131.08580	14.2
133.10136	39.9
134.99670	9.5
135.08023	10.1
135.11693	23.5
137.05984	6.0
137.09645	5.8
139.07573	4.5
139.11218	13.1
140.04677	10.4
141.11485	10.6
141.12610	2.3
142.03221	22.0
142.07822	2.0
143.08560	5.6
143.10715	2.1
145.10129	11.6
147.11749	10.7
148.05287	2.5
149.05997	17.6
149.09644	8.1
149.13280	14.6
151.11191	9.1
153.00728	2.3
153.09113	25.9
153.12802	4.1
154.12233	3.3
155.07048	16.1
155.08174	2.6
157.10132	3.8
158.10928	3.8
158.99625	10.8
159.04379	2.4
163.07568	4.6
163.11205	6.4
163.14838	7.4
163.64417	5.2
165.12679	3.3
166.08011	2.3
167.07066	100.0
167.08405	3.9
167.10704	4.8
168.07358	2.5
169.12247	2.9
170.02725	11.9
171.07956	2.4
171.10182	10.7
171.11685	5.5
173.13261	21.5
177.00731	21.4
177.05510	27.1
181.04962	14.6
181.06398	3.4
181.12216	3.2
182.15407	9.5
183.13933	2.4
184.05232	2.4
185.13307	4.1
186.07274	3.9
189.11282	2.5
191.10689	6.3
191.14302	20.4
195.01747	2.8
195.06380	3.4
195.07895	21.0
195.58000	5.1
199.05339	2.4
199.07507	2.3
199.18091	8.2
200.02399	3.9
204.08324	23.3
206.58609	7.3
209.08104	14.7
209.11797	7.3
209.15170	29.7
210.14841	2.3
213.17870	10.4
213.67981	4.0
215.59067	3.8
227.07037	9.5
227.10547	10.8
227.12714	6.7
227.14352	5.0
227.16147	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03950	2.7
55.01871	4.1
55.05511	14.1
56.96557	1.7
57.03431	4.5
57.07075	4.6
59.04994	3.2
62.10933	1.2
65.03954	1.7
67.05508	16.5
69.03430	17.5
69.07070	17.5
69.19592	1.2
69.53730	8.8
69.54141	2.5
71.04991	16.7
78.04726	3.2
78.81118	1.2
79.05497	26.5
81.03416	5.0
81.07064	25.9
83.04987	12.5
83.08628	8.1
85.06539	11.3
86.09711	3.3
87.04484	2.4
91.05487	15.1
93.07043	27.7
95.04974	40.9
95.08606	23.2
97.02888	2.2
97.06538	11.9
97.10172	10.1
98.97588	2.9
99.04475	7.5
99.08094	8.4
100.11253	6.9
103.05460	6.1
105.07039	13.0
106.04184	1.9
107.04970	17.8
107.08598	45.4
109.02897	1.4
109.06535	13.8
109.10160	18.4
111.04456	2.0
111.08102	9.4
115.07571	6.2
116.98637	1.8
117.07012	3.9
119.08636	7.0
121.06516	20.4
121.10142	19.8
123.04412	9.1
123.08062	6.4
123.11724	4.7
124.05209	1.4
125.06042	1.6
125.09638	12.8
129.09137	1.9
131.04956	5.1
131.08606	9.6
133.02861	2.8
133.10124	13.8
134.03703	1.7
135.04439	1.7
135.08058	12.2
135.11696	5.8
137.06024	8.8
137.09624	7.1
139.07495	1.4
139.11186	3.7
140.04700	5.2
143.10699	4.1
145.10133	5.7
145.14438	1.3
147.11710	7.8
148.05193	1.9
149.05984	13.7
149.09634	12.5
149.13260	7.9
151.03900	3.6
151.11194	12.7
152.04732	1.6
153.09088	14.0
155.07030	5.2
158.10933	1.6
159.04460	3.3
161.02954	2.1
161.13229	2.0
163.03946	2.1
163.11227	3.6
163.14836	12.2
165.05472	8.1
165.12779	5.5
167.07045	100.0
167.10689	3.5
168.07387	2.3
168.12343	1.3
171.10242	3.0
171.11609	1.5
173.13287	16.7
177.05467	28.1
177.06868	2.5
178.05783	1.8
181.04961	3.2
181.08559	1.5
183.13757	1.3
188.46101	1.2
191.10710	2.2
191.14313	21.8
195.06512	1.7
196.56071	2.2
207.10416	1.8
209.08118	11.4
209.11758	4.3
209.15372	20.8
213.51260	1.3
218.07091	1.3
227.07101	2.0
227.09044	1.8
227.16258	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
53.03935	3.0
55.01855	4.4
55.05512	10.5
56.96548	2.6
57.03421	3.7
57.07050	4.6
58.83545	1.4
59.04981	6.7
65.03936	1.6
67.05507	8.8
69.03426	7.1
69.07068	14.2
71.00433	4.3
71.04653	2.0
71.04997	27.2
73.02902	5.8
73.06528	3.5
75.87501	1.3
78.04710	3.0
79.05505	10.6
81.03403	1.9
81.06641	1.7
81.07061	21.5
83.04974	8.6
83.08627	8.6
83.47850	1.4
85.06163	1.2
85.06547	15.8
86.09728	2.1
90.53999	1.4
91.05482	14.4
93.07052	36.6
95.04973	99.3
95.08605	17.0
97.06536	16.2
97.10147	5.6
98.97539	4.6
99.03838	2.5
99.04456	33.4
99.07595	1.4
99.08099	19.5
100.10682	1.5
100.11259	17.6
103.05461	8.1
105.06488	1.4
105.07024	15.6
107.04935	4.8
107.08601	29.5
109.05881	1.9
109.06524	20.9
109.10152	14.9
111.08058	9.8
113.05996	3.6
113.09666	1.9
115.07542	6.7
116.98570	3.5
117.03358	1.8
117.07012	1.7
119.08600	10.4
121.06503	14.4
121.09319	1.9
121.10147	29.4
123.04459	9.8
123.08031	6.1
123.11713	13.5
124.05193	3.5
125.05959	2.8
125.09641	12.7
127.07564	7.5
131.04895	3.2
131.08525	5.9
133.10135	34.5
134.03604	3.1
135.04355	2.0
135.08020	5.9
135.11676	8.6
137.05913	8.1
137.09578	5.2
139.07538	1.8
139.10201	1.9
139.11198	14.5
140.04659	6.7
143.10654	4.9
145.02818	3.2
145.04893	1.5
145.10083	5.7
147.11707	8.1
148.05161	2.6
149.06003	16.6
149.09605	11.5
149.13248	11.9
151.11206	10.1
153.09103	26.0
154.12173	2.3
155.07034	8.7
159.04427	3.3
161.02882	2.4
163.11136	3.3
163.14819	7.2
165.12712	6.0
166.07509	1.4
167.07047	100.0
167.10678	5.9
168.07332	3.1
169.12215	4.3
171.10191	26.7
171.14919	3.9
173.13272	14.9
177.05489	33.8
181.05006	9.9
181.08568	2.7
181.12148	1.9
183.13838	3.5
191.10602	4.0
191.14333	17.1
194.05757	2.8
195.06499	2.8
209.08080	16.8
209.11732	4.5
209.15308	34.9
227.06973	3.5
227.09081	8.2
227.16380	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.40404	1.4
53.03938	1.8
55.01874	1.5
55.05510	11.5
57.03426	4.9
57.07061	6.2
59.04998	8.6
59.51649	1.3
67.05508	10.6
69.03442	9.3
69.07073	23.3
71.04996	27.1
71.08646	1.6
71.59564	2.1
73.02881	1.7
73.06561	3.0
79.05493	9.3
79.64774	1.3
81.07067	22.8
83.04981	9.0
83.08626	12.5
85.06548	20.4
86.09682	4.5
91.05473	10.8
93.07047	26.8
95.04972	100.0
95.08599	18.7
95.53082	1.5
97.06535	23.2
97.10160	6.6
99.04459	16.5
99.08093	31.3
100.11244	8.3
101.06021	1.8
105.07037	14.6
107.04961	4.1
107.08598	41.6
109.06524	22.1
109.10155	15.4
111.05457	1.4
111.08099	10.3
113.05978	1.8
113.09681	2.4
115.07555	8.2
119.08585	11.3
121.06513	3.5
121.09324	2.7
121.10151	41.3
123.08046	6.4
123.11684	10.5
125.05961	2.0
125.09642	16.7
125.13261	2.7
127.07580	14.5
129.06985	1.6
131.08580	13.6
133.10132	33.6
135.08064	9.1
135.11665	10.6
137.09619	8.2
137.13315	2.3
139.07553	1.7
139.11179	13.0
140.04698	2.8
143.10680	11.0
145.10126	5.3
145.59840	1.4
147.11688	8.7
149.05977	2.6
149.09688	9.8
149.13261	19.4
149.62892	1.4
151.11237	9.3
153.09117	28.9
155.06993	1.9
163.11174	2.8
163.14803	7.3
165.12750	5.2
167.07063	8.2
167.10686	5.1
167.14294	3.1
169.12303	1.8
171.10178	22.9
173.13271	17.0
177.05466	3.6
181.05009	3.1
183.13795	4.7
191.10672	4.9
191.14305	20.4
209.08078	1.6
209.11751	5.3
209.15343	26.0
227.12761	3.2
227.16396	89.5
228.16539	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.31946	1.6
53.03948	2.0
55.05501	7.4
57.03429	4.9
57.07075	8.6
59.04996	7.0
62.08043	1.5
67.05495	7.2
67.48058	1.5
69.03440	8.2
69.07072	21.4
71.03809	5.1
71.04191	1.6
71.05002	22.6
73.02917	3.0
79.05470	6.6
81.07069	15.5
83.04987	8.6
83.08623	12.7
85.06552	11.2
86.09712	3.0
91.05475	6.0
93.07051	24.2
95.04976	100.0
95.08609	19.3
97.06530	18.1
97.10175	4.7
99.04475	15.0
99.08094	39.6
100.11243	3.3
105.03373	8.5
105.07014	11.1
107.08591	30.5
109.06511	14.4
109.10162	17.6
111.08077	7.5
113.09638	2.8
115.07556	6.6
119.08572	7.2
119.84403	1.5
121.06485	2.5
121.10149	25.1
123.08012	2.2
123.11716	11.9
125.09651	11.1
125.13288	3.4
127.07536	18.9
131.08562	8.6
133.10136	39.0
135.08020	6.3
135.11707	9.3
137.09637	3.8
139.11172	17.7
140.04608	2.0
143.10658	2.7
147.11688	6.4
149.09671	8.0
149.13293	20.7
151.11165	7.7
153.09116	42.9
155.07031	3.6
163.14845	9.4
165.12772	2.7
167.07030	6.0
167.14384	4.1
171.10211	15.4
173.13268	18.7
177.05435	4.0
181.05020	8.6
191.14316	19.9
209.08084	2.7
209.15382	24.7
227.09076	2.1
227.16411	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.03006	1.5
53.03724	1.7
53.03933	7.9
53.93166	1.5
54.58916	1.4
55.01870	7.5
55.05511	18.9
56.96563	13.6
57.03428	6.1
57.07069	8.6
59.05001	4.9
61.02924	2.4
65.03937	4.2
67.05500	31.9
68.99786	1.7
69.03430	35.5
69.07068	19.2
70.06593	7.1
71.04990	20.1
71.58631	3.2
72.08183	1.4
73.02914	8.9
79.05488	30.9
81.03423	6.0
81.07054	26.7
82.06585	1.9
83.04980	28.5
83.08604	11.5
84.96046	2.3
85.02901	4.4
85.06543	76.1
86.09706	31.5
91.05481	22.4
93.07038	40.3
95.04964	48.9
95.05556	3.5
95.08605	20.3
96.05312	2.1
97.02922	3.1
97.06530	16.1
97.10151	9.4
98.97586	16.7
99.04476	8.6
99.08094	14.6
100.11247	23.6
101.06008	2.3
103.05472	4.5
105.03390	97.0
105.07029	19.4
106.03701	7.9
107.04951	14.1
107.08597	46.4
109.02840	2.0
109.06528	15.2
109.10156	19.5
111.04429	17.2
111.08097	8.7
113.05984	5.3
115.07568	5.6
116.98636	11.5
117.07017	6.4
119.01887	2.5
119.08579	19.5
121.06508	19.6
121.10145	33.8
121.43342	1.5
123.04445	8.9
123.08075	6.2
123.11707	7.6
125.05988	14.5
125.09624	100.0
127.03902	3.4
127.07565	4.9
129.05461	2.9
129.07042	6.3
130.08662	2.1
131.00185	1.8
131.04890	2.0
131.08562	53.7
133.10127	18.9
134.99681	8.6
135.04385	3.0
135.08069	10.4
135.11688	13.3
137.05983	6.0
137.09596	11.2
139.03899	2.7
139.07549	4.6
139.11192	4.4
140.04672	15.2
143.08554	2.8
145.06497	2.5
145.10114	26.0
147.04536	1.9
147.08070	4.7
147.11710	7.1
148.05183	5.8
149.01271	6.6
149.05949	11.6
149.09615	68.5
149.13234	9.4
151.11182	17.7
153.05489	5.0
153.07065	1.6
153.09108	28.1
153.12679	3.3
154.09991	2.2
155.07048	19.0
155.08519	3.7
158.99651	5.2
161.01138	2.5
161.02988	1.9
163.03996	2.6
163.07536	4.3
163.11198	23.3
163.14772	9.3
165.05424	2.1
165.09171	7.3
167.02278	2.9
167.07042	48.3
167.08421	3.3
167.10661	31.8
168.98112	2.3
171.10123	4.0
173.09613	9.0
173.13226	10.0
176.75018	1.7
177.00710	7.4
177.05453	18.8
179.10635	2.0
181.04970	20.2
181.12253	3.6
181.15944	2.2
185.70961	1.7
186.99120	17.0
187.99495	2.0
189.00673	2.6
191.02205	3.2
191.07082	2.6
191.10660	49.6
191.14308	16.9
194.05780	5.1
195.06348	9.2
195.07909	5.0
199.08693	9.8
201.00778	1.7
205.00230	7.5
209.08125	33.7
209.11731	62.2
209.15285	54.4
215.03899	13.1
215.09479	1.6
215.54118	4.5
219.01814	10.8
224.04489	5.0
224.54663	2.2
227.08919	13.7
227.10771	3.6
227.12682	27.0
227.16536	13.7
237.00459	1.8
237.02863	5.1
243.01805	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31442	0.5
53.03944	1.3
55.01857	0.6
55.05515	3.5
56.02647	0.6
56.96558	3.2
57.07069	0.8
58.55242	0.4
59.04984	0.5
61.02901	0.4
65.03944	1.2
67.05502	18.8
69.07059	2.5
70.52473	1.2
70.52820	0.9
71.04990	100.0
79.05495	7.6
81.07053	28.5
83.05006	1.1
83.08626	2.1
85.06540	2.7
91.05473	4.2
93.07044	12.8
95.04981	1.6
95.08603	12.0
97.02878	0.6
97.06550	3.4
99.08090	0.9
100.11283	1.3
105.07024	2.6
107.04920	0.5
107.08584	5.4
109.06525	1.7
109.10187	1.4
111.08097	1.8
112.47347	0.5
117.06998	4.2
119.08606	2.2
121.06526	1.1
121.10146	2.7
122.60413	0.5
125.09643	0.6
129.02275	0.5
131.08575	3.6
133.10138	3.7
135.08090	0.9
135.11684	10.6
143.08568	0.9
145.10127	1.1
147.03419	0.6
149.09669	0.6
149.13277	5.8
150.16273	0.5
157.10162	1.4
159.03380	0.6
159.11703	8.5
163.11159	0.9
167.07074	1.0
171.11752	1.3
177.12743	3.6
183.11732	0.6
185.09682	0.5
191.10216	1.5
195.13881	1.7
196.09433	1.5
199.14822	0.7
204.01302	0.5
205.09842	4.4
207.60216	0.6
209.11743	1.4
209.15462	2.2
214.10342	2.3
216.60719	2.0
225.61166	2.5
227.07135	0.7
227.10767	1.0
227.14481	3.5
227.18141	2.7
238.66663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01862	3.1
55.05520	8.3
57.03439	3.3
57.07064	5.6
59.62735	1.2
67.05505	21.8
69.03416	3.0
69.07075	8.0
70.85863	2.6
70.86240	2.7
71.04997	14.9
77.03896	1.4
79.05493	24.2
79.33611	1.5
81.07062	8.6
83.04977	9.7
83.08613	3.1
85.06546	81.5
86.09698	3.6
91.05478	17.5
93.07046	20.1
95.04968	8.2
95.08622	6.6
97.06536	100.0
98.97559	1.7
99.04445	1.9
99.08102	6.2
100.11245	8.2
105.07034	20.4
107.04958	12.2
107.08593	36.3
109.06531	10.5
109.10146	4.0
111.04438	8.9
111.08064	2.6
113.05990	1.6
117.06999	3.8
119.08573	10.8
121.06532	11.3
121.10141	23.3
123.04405	2.3
123.08064	5.5
125.06021	6.8
129.06989	5.2
131.08568	56.3
133.10126	6.0
135.08069	3.6
135.11697	4.8
137.05968	2.6
137.09633	6.1
137.13242	1.5
139.07503	1.9
139.11182	1.8
140.24149	1.3
145.10130	26.6
147.08041	4.6
147.11696	3.2
149.06010	4.4
149.09630	52.2
149.13268	5.5
151.11159	2.8
152.67683	1.4
153.05431	2.9
155.07042	2.2
155.08487	1.8
163.07504	1.6
163.11169	21.1
163.14824	2.0
165.05435	1.5
165.09120	10.1
167.07048	13.7
167.10684	25.7
167.12079	1.9
169.12276	3.1
173.09633	5.8
173.13275	3.2
177.05464	4.0
181.04962	2.4
181.08496	2.1
185.80774	1.2
191.08919	2.4
191.10678	48.1
191.14288	6.4
209.09764	3.4
209.11728	50.9
209.15102	2.2
227.10547	2.1
227.12753	28.5
227.16292	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	227.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
54.05838	0.2
55.01856	0.8
55.05508	2.0
57.03416	0.3
57.07060	0.8
65.03944	0.3
67.05197	0.2
67.05504	1.6
69.03430	1.8
69.07066	2.8
71.04987	0.4
73.02914	0.2
79.05492	2.8
79.65230	0.2
81.03407	0.3
81.07053	2.5
83.04978	0.7
83.08616	1.0
85.06531	0.3
89.09419	0.2
91.05479	3.9
93.07043	3.2
94.67802	0.2
95.04967	0.8
95.08602	1.2
97.06505	0.3
97.10171	0.4
97.77836	0.2
98.20717	0.4
100.11254	0.6
103.05494	0.5
105.06377	0.3
105.07028	4.4
106.55603	0.2
107.04944	3.2
107.08598	3.1
109.06528	0.4
109.10140	0.5
111.04457	0.2
115.05422	1.1
117.07021	1.6
119.04958	0.5
119.08578	5.8
121.06522	1.5
121.10123	0.7
123.11538	0.2
127.05457	0.2
128.06215	4.4
128.07115	0.3
129.07001	7.8
130.07762	0.5
131.04939	0.3
131.08582	3.1
133.06479	1.5
133.10139	2.0
135.08061	0.4
135.11714	0.3
141.06972	3.1
142.07780	7.5
143.08557	15.7
144.05698	0.4
144.09352	0.9
145.06487	1.4
145.10120	5.0
147.08047	0.9
149.09593	0.5
149.13263	0.2
152.06219	0.5
153.06941	1.3
154.07747	0.8
155.08553	4.5
156.09344	5.1
157.06522	3.3
157.10124	21.7
158.07278	0.5
158.10873	0.9
159.08047	1.3
159.11688	2.9
161.09648	0.3
163.11142	0.3
165.07024	1.5
166.07741	0.8
167.07143	0.3
167.08533	2.5
168.09349	2.4
169.06490	0.6
169.10121	4.9
170.07257	1.9
170.10916	3.5
171.08044	10.5
171.11682	15.1
172.08873	1.3
172.12158	0.2
173.09607	1.3
173.13289	0.2
179.08524	2.8
180.09340	1.0
181.05136	0.2
181.10118	4.1
182.10913	0.7
183.08087	2.4
183.11679	6.9
184.08832	1.7
184.12436	2.1
185.09622	11.9
185.13246	9.1
186.10330	0.8
191.10666	0.5
191.14366	0.2
193.10199	0.3
194.10893	3.4
195.11617	0.2
197.09586	2.4
197.13298	1.6
198.10390	3.8
198.13947	0.6
199.11166	3.6
199.14810	16.7
200.15276	0.2
209.13274	7.6
209.15291	0.4
210.13876	0.2
211.11176	0.4
212.11948	4.8
212.15242	0.4
225.47943	0.2
227.14301	100.0
227.17699	17.5
228.14648	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03928	1.7
55.01872	7.6
55.05509	16.2
57.03433	2.4
57.07061	3.0
60.96853	1.6
67.05505	21.1
69.03410	4.6
69.07072	13.1
69.94662	9.4
71.04975	6.3
73.02923	1.8
79.05497	26.6
81.03362	1.7
81.06646	1.9
81.07056	26.1
83.04963	6.0
83.08626	14.7
85.06516	1.8
91.05488	14.1
93.06478	2.4
93.07049	42.1
95.04987	11.4
95.08613	54.5
96.59466	1.5
97.02892	23.5
97.06524	6.2
97.10128	2.7
98.20811	2.4
99.04420	5.2
99.08097	1.7
100.11224	6.3
103.05476	1.9
105.07037	12.4
107.04939	12.7
107.07861	2.3
107.08599	36.1
109.06495	4.3
109.10143	6.9
111.04392	3.0
111.08041	4.1
115.05461	13.4
117.07037	9.8
119.08573	18.6
120.08900	3.3
121.06531	10.3
121.09313	2.5
121.10142	21.9
123.04430	2.4
123.11700	1.9
125.05970	2.8
125.09658	1.6
128.06175	2.2
129.06993	3.7
130.07791	2.4
131.08530	2.1
133.10077	4.7
135.04439	1.7
135.07999	2.6
135.11708	50.3
137.05991	2.0
137.13235	2.1
139.07552	4.6
140.04628	3.1
141.06975	2.2
143.04924	47.6
143.08548	6.8
144.05174	1.7
145.09084	2.2
145.10127	32.4
147.08000	4.4
149.05913	6.6
149.09631	3.8
153.06964	1.7
155.07086	2.0
155.08495	1.8
157.10120	4.8
163.11201	70.3
165.09163	2.2
167.07056	30.4
167.09508	3.2
167.10822	2.1
170.10907	2.0
171.08092	2.3
171.11649	4.9
177.05406	7.2
181.04971	3.2
181.12323	15.5
185.09598	1.9
185.13260	4.0
199.07632	1.9
199.14874	2.6
209.08040	3.9
209.11885	12.8
227.07039	17.4
227.10805	5.4
227.12723	100.0
227.17827	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.62535	1.0
53.03951	1.2
55.01868	3.3
55.05504	4.1
57.03429	1.7
57.07066	4.2
60.87769	1.2
65.03920	1.6
67.05502	24.0
69.07050	5.0
69.64978	8.1
71.04990	17.4
73.02910	4.3
77.46072	1.1
79.05489	23.3
81.07065	6.0
83.04980	7.0
85.06542	100.0
89.52663	0.9
89.86586	0.9
90.88490	1.0
91.05478	14.1
93.07038	20.2
95.04951	6.1
95.08586	1.4
97.06533	4.4
99.08084	4.4
105.07029	16.4
107.04948	10.2
107.08591	26.5
109.06516	3.9
111.04437	11.6
113.06079	1.1
117.06986	4.9
119.08572	15.5
121.06525	14.3
121.10140	18.3
123.04432	3.3
123.08067	1.8
125.05978	7.6
128.06204	1.0
129.06990	5.6
130.07755	1.5
131.08566	58.1
133.10123	1.7
135.08087	2.5
135.11685	4.5
137.05995	1.1
137.09619	7.4
140.04698	6.1
143.07027	1.5
145.06406	1.1
145.10118	27.4
145.11282	1.4
147.08072	5.1
149.05998	2.0
149.09616	62.8
151.07471	1.0
153.05463	2.9
155.07036	9.3
163.07513	2.4
163.11180	22.5
165.09108	11.3
167.07056	3.3
167.10678	32.3
173.08340	1.2
173.09599	7.6
181.04944	9.5
191.10669	60.9
197.11774	1.8
209.11717	60.4
227.09154	2.9
227.12773	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	227.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07481	0.5
53.03941	1.5
55.01865	1.4
55.05516	5.5
56.96565	0.7
57.03434	1.4
57.07071	1.2
59.04975	0.5
65.03918	0.7
67.05511	4.3
68.99789	3.7
69.03436	1.7
69.07067	4.2
69.38012	5.0
71.04998	2.8
73.02912	1.8
78.04704	1.9
79.05495	4.7
81.03429	0.7
81.07059	7.5
83.04980	1.9
83.08620	11.7
85.02921	0.9
85.06538	2.3
85.10164	1.7
89.03941	1.3
89.53854	0.5
91.05486	13.4
91.82951	0.6
91.83636	0.5
93.07056	7.5
93.35881	0.5
95.04373	0.6
95.04970	10.9
95.08612	3.9
97.06516	2.1
97.10186	0.9
98.97589	1.5
99.04442	1.4
99.08098	1.1
100.11248	4.7
101.02385	1.1
103.05469	5.8
105.07034	2.7
106.04175	2.1
107.04974	3.8
107.08596	17.2
109.06527	10.6
109.10167	5.3
111.04462	1.2
111.08086	28.4
111.55430	0.5
113.05982	0.9
113.65747	0.5
116.98637	0.9
117.03362	0.7
117.07044	0.7
119.03440	1.7
119.04957	1.7
119.08593	1.8
120.05675	0.5
121.06515	12.6
121.10131	1.9
122.03638	0.9
123.04438	6.9
123.08029	0.8
123.11689	1.0
124.05225	2.2
125.05962	0.6
125.09637	5.8
127.03911	0.7
127.07515	0.9
128.06206	0.5
129.07008	0.8
131.04947	5.0
131.08589	1.9
133.02873	0.8
133.10138	1.7
134.03609	1.4
134.99615	0.7
135.04451	1.8
135.08052	4.3
135.11710	1.4
137.05991	10.3
140.04698	4.1
141.09132	0.6
141.11514	0.6
143.04900	0.7
143.08560	2.0
145.02827	1.5
145.10144	2.4
147.04410	0.9
147.11705	0.7
148.05200	1.5
149.05998	13.5
149.09615	2.5
149.13217	0.6
151.03912	1.3
151.07544	2.1
151.11255	0.6
152.04680	1.7
153.09109	20.2
155.07050	5.0
155.08344	0.8
156.09355	0.7
157.10155	2.6
159.04433	3.5
163.03911	1.2
163.11182	1.6
165.05499	1.3
167.07053	100.0
167.10693	2.4
168.07393	1.4
169.08620	24.0
169.10078	1.3
171.11722	2.2
176.04674	0.9
177.05478	28.5
177.09018	0.9
181.05014	1.9
181.08591	1.2
181.10143	0.9
181.12102	0.6
183.11743	0.8
185.11743	7.3
185.13309	2.4
191.07047	1.4
191.10699	1.3
194.05846	1.0
195.06541	0.9
195.08360	1.0
195.10176	20.3
199.11188	0.7
209.08095	10.0
209.09938	0.8
209.11761	1.5
227.07066	2.2
227.09160	2.2
227.10820	1.2
227.12741	1.7
227.14366	2.4
227.17984	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	227.1276
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03941	1.4
55.01852	5.3
55.05508	17.9
56.96543	2.9
57.03424	2.4
57.07053	2.1
62.85386	1.0
65.03938	1.6
65.94009	1.2
67.05502	15.4
69.03405	3.5
69.06737	1.2
69.07066	12.8
71.05002	5.6
71.59553	1.5
72.93810	1.5
73.02849	1.2
79.05058	1.8
79.05488	27.9
81.03403	3.0
81.07053	22.1
83.04971	6.1
83.08615	12.6
85.06522	4.4
91.05462	9.6
93.06479	2.5
93.07037	40.8
95.04959	9.9
95.08603	44.5
97.02847	3.3
97.06505	4.2
97.10131	3.5
99.04427	4.9
100.11219	5.1
102.81380	1.1
103.05431	2.1
105.07024	9.6
107.04953	12.5
107.07869	1.6
107.08587	27.0
109.06480	3.8
109.10117	3.6
111.04407	2.6
111.08057	1.8
113.96341	2.5
117.07030	10.0
119.08576	12.7
121.06488	9.2
121.10148	11.7
123.04441	2.0
123.08048	1.7
123.11711	1.6
125.05960	3.8
125.09620	3.0
129.06970	3.0
131.08537	4.6
133.10100	3.4
135.08054	2.5
135.11687	49.9
137.09659	1.5
139.07497	2.2
139.11246	1.4
142.07712	1.5
143.08525	4.6
145.10112	31.4
149.05946	2.8
149.09608	4.8
151.11212	1.4
152.06165	2.9
153.06970	4.0
155.07088	1.7
155.08490	1.3
157.10085	4.0
163.11176	75.4
167.07028	19.2
167.10712	2.5
171.11662	5.1
177.05518	6.1
181.04970	2.2
181.06471	11.4
181.12228	18.4
185.09616	1.5
185.13226	3.4
188.92992	1.1
191.10605	3.5
199.07501	3.6
199.14767	1.1
209.05891	3.7
209.07898	2.3
209.11664	3.7
225.27466	1.3
227.07022	20.2
227.12721	100.0
227.17805	13.6
228.13097	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.02535	1.2
53.03938	2.1
55.01863	4.6
55.05502	6.1
56.96567	2.1
57.07064	6.3
67.05502	25.7
69.03433	3.2
69.07066	9.5
69.38395	14.1
69.75021	1.5
71.05000	18.3
73.02873	2.3
77.74222	1.5
78.04692	1.5
79.05491	24.6
79.77242	1.4
81.03430	1.8
81.07039	8.1
83.04982	8.5
83.08597	2.9
85.06542	100.0
87.04502	1.9
91.05478	16.1
93.07045	25.7
95.04984	11.7
95.08626	7.7
97.06516	6.8
98.21535	2.9
98.97591	2.9
99.04450	5.1
99.08105	5.0
100.11240	6.2
103.05447	2.2
105.07035	17.2
107.04957	12.5
107.08596	36.3
109.06503	6.3
109.10175	4.4
109.45168	1.5
111.04427	15.6
116.98648	2.2
117.07016	6.6
119.08584	18.2
121.06518	19.7
121.10148	20.5
123.04425	7.4
123.08033	2.3
124.05225	1.5
125.05978	7.1
125.09620	2.4
127.03904	2.3
128.06223	1.9
129.06990	5.5
130.07825	3.3
131.04858	3.9
131.08563	63.2
133.10136	4.5
133.66753	1.7
135.08055	4.9
135.11676	8.2
137.05951	4.6
137.09598	6.3
139.07452	2.2
141.05457	2.8
143.08534	2.0
145.06429	2.5
145.10118	30.8
147.08044	8.4
148.05138	2.0
149.05983	7.2
149.09619	57.0
151.07555	1.9
151.11134	1.5
153.05455	6.1
153.06725	1.8
155.07045	4.1
158.99667	2.5
163.07579	2.7
163.11183	22.1
165.09123	9.4
167.07054	38.4
167.08371	1.4
167.10669	38.1
171.11673	2.1
173.09648	7.4
177.00719	1.9
177.05469	10.2
178.20242	1.6
179.10692	2.7
181.04924	2.9
181.12122	1.7
186.07266	5.9
186.57349	2.2
191.08925	3.5
191.10660	56.3
194.05768	2.2
195.02885	6.0
195.07855	7.0
209.08112	6.1
209.11711	64.4
209.13658	3.5
209.15091	2.3
212.04602	1.5
227.07024	5.0
227.09090	2.5
227.12697	32.8
227.14569	2.3
227.17737	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01865	2.3
55.05503	1.9
57.03436	2.4
57.07076	5.8
67.05502	21.7
67.81236	1.4
67.86386	1.2
69.07064	4.5
70.72081	3.6
71.04996	17.4
79.05065	1.4
79.05498	21.4
81.07051	5.0
83.04978	4.7
83.83178	1.0
85.06543	100.0
91.05492	12.9
93.07038	19.5
95.04955	4.6
95.08610	1.9
97.06522	3.7
99.08091	4.6
105.07028	13.6
107.04958	9.3
107.08595	24.9
109.06532	5.3
111.04434	11.2
117.07030	5.5
119.08589	14.7
121.06506	13.6
121.10141	18.5
123.08041	2.4
125.06027	6.5
127.03870	1.3
129.06999	5.4
130.07764	1.7
131.08569	56.3
135.04378	1.3
135.08046	2.4
135.11696	6.5
137.05954	1.3
137.09627	7.4
139.07486	1.5
141.05441	1.7
143.07007	1.5
145.06409	1.6
145.10120	24.2
147.04359	1.6
147.08046	5.2
147.11667	2.1
149.06003	1.9
149.09622	56.5
153.05455	2.7
155.07040	2.7
155.08421	1.1
157.90836	1.1
158.58589	1.0
163.07549	3.2
163.11182	21.6
165.09103	10.3
167.07086	2.6
167.10684	28.7
173.09590	4.9
179.10716	1.4
191.10675	57.5
195.07745	1.4
197.11783	3.2
209.11731	57.8
227.12672	50.7
238.39381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03959	2.0
55.01877	6.4
55.05521	3.4
56.96575	1.5
57.03448	1.4
57.07085	0.8
62.21696	0.4
65.03944	7.7
67.05504	4.4
69.03449	2.1
69.07081	1.9
69.99380	2.6
71.05016	1.9
73.02922	37.2
79.05505	3.6
81.03430	1.0
81.07053	3.3
82.04218	1.8
83.05011	1.8
83.08643	1.7
85.02908	3.8
85.06557	3.2
86.09722	1.5
91.03959	1.1
91.05476	4.9
93.03408	1.3
93.07054	5.8
95.04976	10.1
95.08606	2.7
97.02898	0.9
97.06528	4.1
98.21412	0.7
98.97596	4.9
99.04478	1.2
99.08108	1.0
99.51087	0.4
100.11273	8.1
103.05477	0.8
105.03412	3.8
105.07060	1.7
105.54842	0.4
107.04984	1.9
107.08600	5.6
108.02153	1.3
109.06525	1.9
109.10209	2.4
110.03681	3.6
111.04472	2.8
111.08099	0.6
116.98642	2.9
117.07070	0.7
119.04970	1.0
119.08606	1.4
121.06510	3.3
121.10147	3.3
123.04434	9.2
123.08036	0.7
123.11729	0.9
125.02365	2.3
125.06021	3.4
125.09604	1.0
127.07575	1.1
131.04901	0.6
131.08566	3.7
133.10144	2.0
134.99675	1.4
135.08095	0.6
135.11703	3.6
137.05969	0.8
137.09604	0.7
138.03128	2.0
139.03947	0.8
140.04691	48.7
141.04958	0.6
142.02640	2.7
143.00162	0.6
145.10136	1.5
146.99750	0.7
147.04434	2.3
147.11713	0.8
149.06006	1.7
149.09634	3.3
151.11198	0.6
153.05481	2.7
153.09109	1.5
153.12732	1.3
155.07040	65.6
156.07364	1.0
158.99644	2.6
161.01248	0.5
163.11214	1.8
163.14792	0.5
167.07079	5.4
167.10735	2.2
167.11948	0.4
171.06548	8.1
171.08002	0.7
171.11615	0.5
173.08125	6.1
173.09528	0.6
173.13321	0.8
177.00722	2.9
177.05545	1.2
179.07047	3.4
181.04970	100.0
181.08380	4.7
182.05392	1.3
186.89822	0.4
191.10683	2.8
191.14333	1.1
195.06581	0.9
201.06142	0.6
203.02333	0.9
209.08107	22.4
209.11563	4.0
209.15134	1.1
209.16827	0.5
215.05754	0.8
219.01765	2.1
227.07198	0.9
227.09135	26.2
227.12766	1.3
227.16237	1.4
227.17566	2.7
241.85406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03946	1.3
55.01866	2.4
55.05514	7.4
57.03417	1.5
57.07069	2.0
59.05000	0.7
61.02909	0.6
65.03931	0.8
67.05507	7.0
69.03430	6.5
69.07070	8.5
69.29588	0.5
69.89139	0.5
70.53510	1.6
71.04995	7.2
73.02909	1.6
75.83940	0.5
77.03947	0.5
78.04707	2.5
79.05498	11.4
81.03408	2.9
81.07059	11.2
83.04981	5.5
83.08627	4.5
85.02919	1.2
85.06527	2.5
86.09707	1.2
87.04469	0.7
88.65981	0.6
91.05479	9.6
93.03382	0.6
93.07043	13.8
95.04979	7.4
95.08599	9.7
97.02921	1.0
97.06526	3.5
97.10171	4.4
98.97588	1.0
99.04444	3.1
99.08098	2.1
100.11256	4.1
103.05466	7.1
105.03390	0.8
105.07027	5.6
106.04184	2.1
107.04959	4.6
107.07868	0.9
107.08598	18.6
109.06536	4.7
109.10155	8.3
111.04412	1.2
111.08081	4.4
112.36203	0.6
115.03864	0.6
115.07587	1.5
117.03408	1.3
117.07005	1.4
119.04922	1.2
119.08562	2.9
121.02882	0.7
121.06513	14.0
121.10154	8.1
122.03613	0.7
123.04429	7.0
123.08121	2.9
123.08828	0.6
123.11678	3.3
124.05217	3.0
125.06004	1.0
125.09622	6.5
129.09122	0.7
131.04927	5.3
131.08569	2.9
133.02850	0.7
133.10136	4.3
134.03615	1.6
135.04398	1.5
135.08073	4.6
135.11684	2.8
137.05981	9.5
137.09608	3.8
139.07588	0.7
139.11194	0.7
140.04715	3.3
143.10675	1.7
145.02893	0.9
145.10126	2.0
147.04379	1.1
147.11674	3.4
148.05182	1.7
149.05978	13.2
149.09601	4.3
149.13232	3.7
151.03917	1.6
151.11182	5.1
152.04689	1.6
153.05396	0.6
153.09096	3.8
155.07030	3.0
158.10861	0.7
159.04414	4.1
162.03160	0.7
163.03949	0.6
163.11156	1.7
163.14841	5.1
165.05473	1.4
165.12744	2.1
167.07045	100.0
167.10774	2.0
168.07402	1.4
169.12177	0.6
173.13271	6.0
177.05478	29.9
178.27058	0.5
181.04919	2.8
181.08595	1.2
191.07018	1.7
191.10732	1.2
191.14342	8.6
194.05774	1.3
195.06400	0.7
209.06419	0.5
209.08092	11.3
209.11626	1.4
209.15320	6.3
217.14864	0.6
227.07094	1.1
227.09001	3.4
227.12712	3.0
227.16171	6.8
228.85788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
53.03943	0.9
55.01874	4.6
55.05518	1.1
57.03431	0.7
59.10461	0.5
65.03946	6.1
67.05506	3.1
69.03436	1.5
69.07076	0.6
69.60262	4.4
71.04993	0.9
73.02920	35.9
79.05495	1.7
81.07066	2.1
82.04202	1.9
83.04979	0.7
83.08589	0.6
85.02906	3.4
85.06528	0.9
90.47165	0.6
91.03934	0.7
91.05501	3.0
93.03410	1.5
93.07046	5.5
95.04960	7.4
95.08595	1.8
97.02890	0.9
97.06541	2.8
97.08142	0.6
98.97587	3.7
99.08107	1.0
100.11260	2.8
103.05473	0.6
105.03399	2.4
105.07021	0.7
107.04959	0.8
107.08617	4.2
108.02088	1.4
109.06532	0.8
109.10155	1.4
110.03680	3.4
111.04441	1.7
116.98633	2.2
119.08600	0.6
121.06507	2.3
121.10150	1.9
123.04425	7.6
125.02341	1.8
125.05988	2.4
131.08568	1.2
133.10139	1.7
134.99651	1.2
135.11690	2.1
135.24684	0.6
138.03096	1.2
139.03949	0.6
139.17313	0.6
140.04686	46.6
142.02614	1.3
145.10052	0.6
147.11720	0.9
149.13228	0.6
153.05484	1.8
153.09085	0.7
155.07033	66.4
156.07401	0.8
158.99644	2.6
166.06256	1.0
167.07039	4.3
171.06544	7.1
171.54462	0.5
173.08095	4.9
177.00731	2.1
179.07053	2.7
181.04962	100.0
181.08293	3.5
182.05302	1.2
191.10719	1.1
192.21429	0.6
193.23849	0.6
195.06514	1.1
209.08105	21.5
209.11655	1.9
209.15198	1.1
219.01801	1.0
227.09138	26.4
227.16220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01866	2.4
55.05514	7.4
57.03417	1.5
57.07069	2.0
59.05000	0.7
61.02909	0.6
65.03931	0.8
67.05507	7.0
69.03430	6.5
69.07070	8.5
69.29588	0.5
69.89139	0.5
70.53510	1.6
71.04995	7.2
73.02909	1.6
75.83940	0.5
77.03947	0.5
78.04707	2.5
79.05498	11.4
81.03408	2.9
81.07059	11.2
83.04981	5.5
83.08627	4.5
85.02919	1.2
85.06527	2.5
86.09707	1.2
87.04469	0.7
88.65981	0.6
91.05479	9.6
93.03382	0.6
93.07043	13.8
95.04979	7.4
95.08599	9.7
97.02921	1.0
97.06526	3.5
97.10171	4.4
98.97588	1.0
99.04444	3.1
99.08098	2.1
100.11256	4.1
103.05466	7.1
105.03390	0.8
105.07027	5.6
106.04184	2.1
107.04959	4.6
107.07868	0.9
107.08598	18.6
109.06536	4.7
109.10155	8.3
111.04412	1.2
111.08081	4.4
112.36203	0.6
115.03864	0.6
115.07587	1.5
117.03408	1.3
117.07005	1.4
119.04922	1.2
119.08562	2.9
121.02882	0.7
121.06513	14.0
121.10154	8.1
122.03613	0.7
123.04429	7.0
123.08121	2.9
123.08828	0.6
123.11678	3.3
124.05217	3.0
125.06004	1.0
125.09622	6.5
129.09122	0.7
131.04927	5.3
131.08569	2.9
133.02850	0.7
133.10136	4.3
134.03615	1.6
135.04398	1.5
135.08073	4.6
135.11684	2.8
137.05981	9.5
137.09608	3.8
139.07588	0.7
139.11194	0.7
140.04715	3.3
143.10675	1.7
145.02893	0.9
145.10126	2.0
147.04379	1.1
147.11674	3.4
148.05182	1.7
149.05978	13.2
149.09601	4.3
149.13232	3.7
151.03917	1.6
151.11182	5.1
152.04689	1.6
153.05396	0.6
153.09096	3.8
155.07030	3.0
158.10861	0.7
159.04414	4.1
162.03160	0.7
163.03949	0.6
163.11156	1.7
163.14841	5.1
165.05473	1.4
165.12744	2.1
167.07045	100.0
167.10774	2.0
168.07402	1.4
169.12177	0.6
173.13271	6.0
177.05478	29.9
178.27058	0.5
181.04919	2.8
181.08595	1.2
191.07018	1.7
191.10732	1.2
191.14342	8.6
194.05774	1.3
195.06400	0.7
209.06419	0.5
209.08092	11.3
209.11626	1.4
209.15320	6.3
217.14864	0.6
227.07094	1.1
227.09001	3.4
227.12712	3.0
227.16171	6.8
228.85788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03938	1.7
55.01868	0.9
55.05497	2.3
56.96540	0.6
57.07056	0.7
67.05492	1.9
69.07055	1.5
71.04990	1.2
71.59566	0.9
73.02910	2.0
78.04705	2.1
79.05494	2.6
81.03430	0.5
81.07053	2.8
83.04944	0.7
83.08611	2.1
85.06523	0.9
89.03913	1.0
91.05486	7.4
93.03413	0.6
93.07062	6.1
94.59580	0.5
95.04984	5.1
95.08611	1.8
97.06512	1.0
98.97579	0.5
99.04427	0.6
100.11272	3.1
103.05470	5.5
105.03384	0.6
105.07050	1.1
106.04156	1.9
107.04958	3.1
107.08591	5.2
108.02738	0.5
109.06526	2.3
109.10164	1.6
111.04417	0.9
111.08082	4.5
116.98595	0.5
117.03384	0.9
118.04183	0.5
119.04942	1.3
119.08562	0.8
121.05666	0.8
121.06510	11.8
121.10148	2.2
122.03627	0.8
122.32406	0.5
123.04433	7.1
123.08015	0.7
124.05181	2.6
125.06001	1.0
125.09602	0.9
131.04935	6.6
131.08542	0.9
133.02812	1.2
133.10141	1.2
134.03632	1.7
135.04408	1.6
135.08069	1.1
135.11681	0.8
137.05988	8.0
140.04680	4.4
142.07742	0.5
143.08611	1.3
145.02823	1.2
145.10100	1.1
147.04387	1.4
148.05122	0.8
149.05986	12.2
149.09656	0.9
151.03899	1.0
152.04672	2.0
153.09097	3.1
155.07007	3.2
157.10164	1.4
159.04427	3.0
159.11559	0.6
163.03929	1.1
163.07571	0.7
163.11226	1.4
163.14780	0.9
165.05547	1.3
166.06158	0.6
167.07042	100.0
168.07489	1.1
169.06465	0.6
169.08626	4.2
171.08023	0.6
171.11688	1.0
176.04655	0.7
177.05473	27.8
179.07024	0.9
181.04959	3.1
181.08588	2.0
181.12283	0.9
185.11751	1.4
185.13254	0.9
191.07048	1.0
191.10712	1.4
194.05771	0.8
195.02888	2.6
195.06607	0.6
195.10181	3.3
199.15024	0.6
209.08095	10.6
209.11679	1.1
209.15266	0.6
220.52948	0.5
227.07089	1.0
227.08923	3.4
227.11108	0.6
227.14371	1.5
227.17934	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03933	1.3
55.01871	5.8
55.05477	2.5
57.07092	0.8
58.43719	0.8
65.03947	6.7
67.05489	4.5
69.03425	1.7
69.07049	2.2
70.97248	1.8
71.04971	1.6
73.02918	36.9
78.04704	1.0
79.05459	3.2
81.07033	3.2
82.04169	2.4
83.04955	1.7
83.08619	1.0
85.02903	5.7
91.03940	1.3
91.05477	4.8
93.03445	0.9
93.07045	4.3
95.04972	8.7
95.08564	2.1
96.65395	0.7
97.06503	2.9
97.10123	1.2
99.08073	0.9
100.11229	3.0
100.31120	0.7
103.05467	4.3
105.07010	0.9
107.04916	2.6
107.08533	2.8
108.02075	0.8
109.06454	1.2
109.10106	1.2
110.03632	2.9
111.04426	2.6
119.04928	1.3
119.08530	1.3
121.06516	7.0
121.10123	2.3
123.03593	1.0
123.04421	12.8
124.05186	1.1
125.02288	2.7
125.05928	2.4
125.09665	1.0
129.06938	0.8
131.04871	2.9
131.08516	1.9
133.10150	0.9
134.03496	0.9
135.04413	0.9
135.11707	1.2
137.05981	4.5
138.03098	1.8
139.03871	0.9
140.04680	52.0
142.02580	1.9
143.08510	1.4
145.10135	1.6
148.05127	1.5
149.05977	5.3
149.09610	0.8
152.04665	1.5
153.05339	1.3
155.07033	67.5
156.07326	0.9
156.09315	1.0
157.10086	2.7
159.04291	1.0
163.03825	1.1
163.11121	1.1
166.06200	1.3
167.07039	50.6
171.06544	5.9
171.11635	3.0
173.08112	7.1
177.04059	1.1
177.05478	13.4
179.07001	2.6
181.04959	100.0
181.08359	4.4
182.05347	1.4
185.13312	1.3
208.58446	0.7
209.08101	26.9
209.11423	1.2
227.07094	1.9
227.09062	26.3
227.14345	2.0
227.17908	8.3
231.22273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.2533
Annotation	(2R-trans)-2-Butyl-5-heptyl-pyrrolidine
Peak:m/z	Relative Intensity
51.53216	0.8
55.05510	12.1
56.46663	0.8
56.96546	1.0
57.07060	3.4
58.06598	8.4
60.12910	1.0
67.05490	2.5
69.07072	14.8
71.04987	2.1
71.08626	1.4
71.59882	1.4
71.60215	1.1
79.05493	2.8
79.84493	0.9
81.07045	2.2
83.04984	0.8
83.08624	10.1
85.10157	1.1
91.05463	1.6
93.07034	3.4
95.04977	1.8
95.08585	1.6
97.02888	1.6
97.10164	7.0
98.03214	1.0
100.11253	1.4
101.95045	1.4
105.07012	1.2
106.07355	1.3
107.04931	2.8
107.08568	2.5
109.10132	1.4
111.11683	1.2
112.63985	0.9
119.08585	1.1
119.96061	1.5
120.05604	1.6
120.08923	4.4
120.97905	1.0
121.06499	1.7
121.10139	1.1
134.10458	2.6
148.08362	2.3
156.17514	2.0
162.10147	0.8
166.09441	1.6
167.07056	3.8
177.05327	0.9
190.09346	0.9
208.10373	1.1
208.64984	0.9
226.09721	5.7
226.15161	4.1
226.21663	4.1
226.25281	100.0
227.06932	1.1
227.10637	1.2
227.12686	1.7
227.25433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1848
Annotation	Lavandulyl isobutyrate
Peak:m/z	Relative Intensity
53.03947	1.7
55.05501	4.9
57.07074	19.7
67.05505	19.9
69.03426	1.6
69.07068	93.3
69.61801	9.4
71.08635	2.0
76.08904	1.1
79.05495	10.1
81.07056	91.1
83.04977	1.8
83.08623	2.1
91.05477	4.5
93.07054	6.3
95.08606	100.0
97.02910	3.1
98.21451	2.3
99.04446	2.0
105.03387	1.3
105.07019	5.3
107.04965	1.5
107.08598	4.0
109.06520	2.7
109.10163	10.1
115.05511	1.2
117.07018	1.3
119.04938	1.2
119.08580	15.1
121.10136	2.1
121.80874	1.1
123.08092	3.2
123.11750	1.4
129.06999	1.7
131.08607	1.5
133.10117	6.4
135.11702	1.4
137.09656	1.8
137.13254	71.9
141.06989	4.5
142.07764	2.3
143.08537	4.0
145.10190	2.3
147.08052	4.2
149.09734	1.2
153.07004	1.9
154.07758	5.7
155.08549	20.8
156.09181	1.7
157.10132	3.1
159.11685	1.9
161.09685	3.4
163.11246	1.6
165.06989	2.0
165.09132	5.6
167.08522	3.8
167.10658	1.3
168.09335	8.3
169.10124	67.3
170.10724	1.8
179.02110	1.6
179.10658	3.5
181.10141	5.1
182.10912	4.3
183.11703	31.7
184.12099	1.1
186.67496	1.2
189.09111	3.4
189.12698	1.4
195.11760	7.5
196.12424	4.8
197.13234	8.9
207.06572	1.5
207.10172	4.8
207.11868	2.2
207.13629	1.4
210.10411	3.0
210.14020	10.2
211.14902	1.6
225.09123	3.2
225.13062	15.0
225.16403	75.3
226.13474	1.6
226.16783	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03930	1.4
55.01865	3.9
55.05502	6.1
56.96566	9.4
57.03416	2.6
57.07063	3.1
59.04987	2.4
65.03940	1.7
67.05504	11.4
69.03427	3.9
69.07075	7.6
69.09630	1.2
69.65836	7.1
71.04999	19.8
71.08630	1.4
79.05499	10.1
81.03419	3.1
81.07067	12.6
83.04978	5.3
83.08624	3.5
85.02901	7.4
85.06522	2.2
87.04445	1.0
91.05473	18.0
93.07050	19.1
95.04984	8.2
95.08602	13.8
97.02919	1.8
97.06555	5.3
97.10155	1.1
98.20754	2.3
99.04462	18.6
103.05469	1.5
105.03383	3.6
105.07032	19.7
106.22103	1.0
107.04978	7.1
107.08593	14.3
109.06516	13.0
109.10154	21.9
110.03678	1.3
111.04466	2.9
111.08083	4.8
113.06004	2.0
113.09633	2.2
116.98604	2.1
117.07003	2.3
119.04952	13.1
119.08591	21.4
121.06507	4.8
121.10147	43.4
122.03642	1.1
123.04453	2.5
123.08064	12.9
123.11721	7.8
125.05997	4.5
125.09636	3.6
128.98596	1.2
129.07002	1.6
131.08545	4.7
133.02861	1.5
133.06494	2.8
133.10135	8.6
134.98726	1.2
134.99698	1.6
135.08046	3.7
135.11688	4.8
137.05974	5.2
137.09628	28.8
137.13237	1.9
139.11160	2.3
141.06929	1.7
141.09091	1.5
143.08586	2.4
145.06429	1.6
145.10147	3.6
146.99644	3.7
147.04396	7.9
147.08014	5.8
147.11684	17.5
149.09628	100.0
150.10071	1.4
151.03902	1.6
151.07538	5.0
151.11189	1.8
153.05466	3.5
153.09015	1.2
155.07057	1.6
156.09329	3.9
159.08157	1.3
159.11681	1.5
161.09616	5.3
161.13235	12.8
163.03944	2.2
163.11198	5.1
164.04668	4.1
165.05492	5.5
165.09106	4.8
165.12733	9.0
167.07066	5.1
167.08322	1.3
167.10684	6.3
171.11682	8.4
174.10378	4.4
175.03963	2.8
177.05489	1.5
179.07047	4.2
179.10657	3.1
179.14352	3.4
180.04211	6.8
180.54544	1.2
181.12259	2.2
183.06561	2.6
183.13821	4.2
183.42429	1.0
189.04904	1.5
189.09120	2.2
189.12750	27.2
189.16437	1.1
189.55023	1.0
190.98653	4.9
192.04233	5.0
193.04915	6.0
195.06625	2.2
197.05972	1.4
200.03192	3.7
207.06580	6.2
207.08324	1.4
207.10187	1.4
207.13791	18.1
208.99614	1.2
210.05251	25.7
212.08395	1.9
213.09042	2.6
225.04173	1.2
225.07521	30.5
225.11227	2.1
225.12863	1.3
225.14777	18.8
225.16531	1.5
225.19716	1.1
226.07814	1.5
226.09906	1.2
239.02284	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Annuionone D
Peak:m/z	Relative Intensity
55.05500	1.3
57.07074	2.0
63.14036	0.6
67.05506	3.1
67.48235	0.7
69.03432	0.9
69.07065	1.0
71.04984	0.8
71.10796	1.1
79.05495	2.5
81.07061	19.1
82.32507	0.6
85.02907	100.0
85.06513	0.7
91.05471	1.3
91.57243	0.6
93.07054	2.3
95.08610	5.1
99.04483	0.6
105.07023	2.9
107.08608	4.3
109.06503	1.1
109.10168	11.4
109.91728	0.7
119.08588	3.7
121.06532	1.5
121.10147	7.0
123.08100	1.9
123.11710	81.1
124.20337	0.6
125.05997	6.5
125.09595	1.0
128.27255	0.6
131.08585	1.5
137.06007	0.7
137.09651	1.3
141.05540	1.0
145.10173	1.3
147.08090	2.5
147.11655	3.0
149.09642	8.2
151.07576	2.4
156.09380	0.7
161.02988	1.6
163.11153	0.8
165.12808	1.9
167.10718	0.7
169.08640	0.7
189.12737	5.3
207.13814	21.5
207.15744	1.3
225.14871	5.4
237.77428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.56130	1.4
53.03941	2.1
54.15905	1.4
55.01863	3.7
55.05510	9.6
57.03425	2.2
57.07063	6.5
59.04995	4.7
65.03943	1.6
67.05500	12.2
69.03431	14.3
69.07077	10.8
69.63586	11.9
71.01357	3.0
71.04992	37.9
72.77151	1.7
75.73054	1.5
79.05496	14.8
81.03401	4.0
81.07057	25.3
83.04970	11.6
83.08624	7.9
85.02898	4.7
85.06524	5.8
91.05479	24.3
93.07051	21.4
95.04959	6.5
95.08598	25.6
97.02883	22.1
97.06532	22.5
99.04452	100.0
99.08088	3.7
100.82146	1.6
101.06042	1.7
105.03392	2.4
105.07026	33.2
107.04940	6.5
107.08595	52.9
109.06519	39.3
109.10160	8.6
111.04439	3.6
111.08051	7.4
111.11729	4.6
113.06019	4.0
113.09665	8.4
115.05463	1.7
117.07005	3.9
119.04916	3.2
119.08578	71.8
121.06481	7.7
121.10143	28.7
123.04472	2.4
123.08064	40.3
123.08943	2.5
123.11700	30.0
125.05978	3.6
125.09629	11.1
127.07543	2.0
128.06216	2.6
131.08588	4.1
133.06522	2.7
133.10124	48.0
133.11087	3.4
135.08057	3.6
135.11707	5.5
137.05957	7.1
137.09592	12.5
137.13243	4.5
139.07515	2.3
139.11169	5.9
141.09093	10.5
141.12744	4.0
143.08559	5.6
145.06467	2.7
145.10095	2.3
147.04379	1.7
147.08043	32.0
147.11699	10.8
149.09613	29.6
151.07538	6.8
151.11252	7.5
153.12689	1.7
155.50323	1.6
161.09610	31.1
161.13271	5.4
163.11156	5.0
165.09097	36.4
165.12726	19.3
166.09431	1.9
167.07063	14.5
167.10689	29.2
169.08604	2.9
171.08102	1.4
171.11739	3.8
179.10677	25.7
179.14259	3.7
180.04172	4.0
183.13812	50.0
189.09096	24.9
189.12732	16.5
193.04967	2.1
195.06441	2.0
207.06332	1.6
207.10168	33.2
207.13789	33.0
225.07532	4.4
225.11153	21.8
225.14772	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03942	3.0
55.01872	3.2
55.05517	7.9
56.96562	2.1
57.03437	2.4
57.07073	7.8
57.52151	1.6
59.04991	5.1
60.06987	1.4
63.79568	1.4
67.05505	14.4
69.03432	14.0
69.07071	8.0
71.05000	6.5
71.08603	1.8
71.59728	2.6
78.63814	1.6
79.05500	19.6
79.79609	1.4
81.03424	2.0
81.07063	26.7
83.04984	9.5
83.08618	4.1
84.17193	1.5
85.02913	3.5
85.06561	6.9
91.04945	0.9
91.05478	30.9
93.07047	37.8
95.04964	9.2
95.08618	18.8
95.39353	1.7
97.02898	31.5
97.06544	3.6
99.04465	8.2
99.08103	1.6
101.95039	18.0
105.03402	5.0
105.06387	2.8
105.07037	35.9
107.04966	7.3
107.08596	24.7
109.06517	18.9
109.10176	11.7
111.04437	4.7
111.08084	6.3
113.05965	3.3
113.09570	1.5
115.05499	1.8
117.07020	5.6
119.04987	1.9
119.08588	100.0
119.96067	13.2
121.06532	5.8
121.10150	12.8
123.04459	3.8
123.08070	16.1
123.11703	8.8
125.06009	2.6
127.07523	1.6
128.06215	2.5
129.07004	2.8
131.08589	3.7
133.06531	4.6
133.10127	55.7
135.11673	6.7
137.05989	3.6
137.09613	14.6
137.97098	15.1
138.06772	2.0
141.06973	1.8
142.97682	2.3
143.08574	7.3
145.06485	2.3
145.10123	2.7
146.07219	2.4
147.04457	1.8
147.08052	43.8
147.11694	7.3
148.08832	2.0
149.09633	4.7
151.11185	8.3
153.06976	1.6
153.26047	2.0
155.08559	2.6
155.98143	9.4
160.98727	15.1
161.09616	39.3
161.13260	4.0
163.07610	2.0
163.11189	5.7
165.05537	1.8
165.09120	54.6
165.12772	1.6
167.10698	4.3
169.10158	3.9
171.07988	1.9
171.11681	4.3
178.99783	8.2
179.10672	30.3
179.14259	2.1
183.10204	1.6
183.11668	3.4
183.13875	2.3
184.00301	3.7
189.09114	34.5
189.12778	2.9
193.12083	1.5
202.01346	2.2
206.21001	1.6
207.06696	1.4
207.10164	42.3
207.12062	2.2
207.13832	6.5
211.11603	1.5
225.09190	2.8
225.11185	24.4
225.14775	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1123
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03938	0.9
55.01852	2.8
55.05491	3.4
57.07050	2.8
59.04981	3.9
65.03927	1.4
67.05511	9.1
69.03432	12.7
69.07046	3.9
70.01113	5.0
71.04980	2.9
79.05497	11.9
80.99523	0.8
81.03421	1.5
81.04503	0.8
81.07059	16.8
83.04956	3.0
83.08608	1.9
85.02882	1.1
85.06506	3.8
91.05485	23.8
92.87767	0.8
93.06488	1.1
93.07053	26.0
95.04976	6.6
95.08607	11.1
97.02894	31.4
97.06530	2.2
99.04414	2.8
99.08076	2.4
101.95040	8.6
103.05475	1.7
105.03384	2.0
105.07034	33.1
106.44775	0.8
107.04982	5.2
107.08601	18.9
109.05809	0.9
109.06522	13.6
109.10159	8.3
111.04446	4.7
111.08083	5.9
113.05972	2.5
117.07040	5.1
119.04895	2.1
119.08585	100.0
119.96046	5.9
121.06519	5.8
121.10140	12.1
123.04467	1.2
123.08076	13.0
123.11723	5.9
124.70483	0.8
125.05957	1.2
125.09515	1.1
128.06192	2.4
129.07004	1.7
130.07689	0.9
131.08549	2.8
133.06468	3.0
133.10135	58.4
135.08012	2.3
135.11681	6.4
137.05949	2.5
137.09610	10.7
137.97116	4.1
139.07532	0.9
142.97658	1.1
143.08580	9.5
145.06453	1.7
145.10088	2.8
146.07272	2.1
147.04430	1.3
147.08052	52.7
148.08748	2.5
149.09605	1.5
151.11218	7.3
155.08557	1.4
155.98135	2.4
160.98700	4.7
161.08299	1.9
161.09616	36.3
161.13329	1.0
163.07532	1.5
163.11179	4.8
165.05443	1.6
165.09123	64.1
167.10606	1.3
169.10115	1.7
171.08066	2.2
178.99728	3.5
179.10678	35.9
183.11717	2.0
189.09125	33.5
195.06721	1.0
197.13274	1.2
207.10181	47.2
210.14082	1.3
218.30121	0.9
225.09036	1.8
225.11165	31.7
225.14789	4.3
225.16409	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	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03947	1.4
55.01872	2.1
55.05501	4.9
57.03439	2.0
57.07076	1.6
59.05000	3.1
65.03948	1.2
67.05505	9.8
67.52121	0.6
69.03430	17.3
69.07061	2.5
69.68740	4.5
71.04997	1.6
79.05489	10.8
81.03412	1.6
81.07056	13.2
83.01325	0.8
83.04988	8.4
83.08636	1.0
85.02905	3.3
85.06554	4.4
91.04898	1.2
91.05476	23.7
93.07043	24.0
95.04963	7.1
95.08603	9.4
97.02894	34.0
97.06543	1.8
98.21442	0.7
99.04446	2.4
99.08096	2.1
103.05480	1.8
105.03376	1.1
105.07031	31.7
107.04937	4.9
107.08595	15.5
109.02950	1.1
109.06514	11.3
109.10155	8.2
111.04456	6.5
111.08082	5.2
113.02362	2.6
113.06008	3.2
114.56141	0.5
115.05478	1.0
117.07030	4.4
119.04922	1.8
119.08580	100.0
120.08920	1.3
121.06499	5.5
121.10148	9.6
123.04453	1.6
123.08076	11.6
123.11727	7.1
125.05962	1.1
128.06218	2.5
129.07004	1.2
130.07794	1.0
131.08577	1.9
133.06520	3.1
133.10130	58.6
134.10376	0.7
135.04414	0.8
135.08037	0.9
135.11691	6.7
137.05972	3.3
137.09607	11.4
138.14891	0.6
141.09093	0.7
143.08549	6.7
145.06497	2.0
145.10112	2.9
146.07280	2.6
147.08043	45.8
148.08792	1.8
149.06050	1.2
149.09570	1.0
151.03926	0.6
151.11172	6.8
161.09618	37.9
163.07556	2.7
163.11198	4.9
165.09113	56.3
167.07074	0.7
171.08046	1.8
176.31154	0.5
179.10670	33.9
180.04134	0.6
183.11595	0.6
189.09108	33.8
190.09523	0.9
207.10170	43.4
208.10469	0.7
225.07887	3.0
225.11206	32.7
225.16531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03953	1.6
55.01868	2.1
55.05507	6.2
56.96569	3.2
57.07070	5.8
59.05002	3.8
67.05504	12.4
69.03436	13.4
69.07070	6.8
71.04983	5.6
71.60422	2.3
79.05492	9.8
81.07068	20.5
81.19034	1.4
83.04963	3.6
83.08614	1.8
85.02885	2.2
85.06549	5.0
91.05475	26.4
93.07051	26.7
95.04967	5.2
95.08607	14.3
97.02896	29.8
97.06557	3.1
99.04476	7.5
99.08083	2.9
100.00523	1.5
101.95030	16.7
105.03391	4.0
105.07031	34.8
107.04965	5.1
107.08597	22.5
109.02921	2.6
109.06539	14.5
109.10155	9.7
111.04414	3.3
111.08099	5.5
113.05997	3.6
115.03918	2.0
115.27266	1.4
117.07019	3.8
119.04985	1.9
119.08580	100.0
119.96071	8.9
121.06496	5.6
121.10152	14.1
123.04357	2.0
123.08073	16.7
123.11722	12.2
125.06024	2.0
125.09624	2.2
127.14074	1.6
128.06216	2.7
129.07072	2.5
131.08559	3.7
133.06470	4.2
133.10130	65.8
135.11703	6.7
137.05977	2.4
137.09627	13.5
137.97110	12.6
141.06984	3.2
143.08577	9.4
145.06479	2.1
145.10202	4.5
146.07309	2.3
147.08054	45.2
148.08788	2.8
149.06004	2.3
149.09586	2.9
151.11220	5.3
153.06981	2.7
155.08582	5.0
155.98189	7.4
157.10077	2.1
160.98701	12.3
161.09616	39.7
163.07611	2.2
163.11197	6.4
165.07048	2.4
165.09123	59.2
165.10519	3.1
166.07828	2.3
167.08542	2.9
167.10657	3.6
169.10081	8.1
171.08090	2.4
178.99840	8.2
179.10690	34.3
181.06522	1.7
181.10257	1.8
182.10909	2.2
183.11699	5.6
183.13820	3.3
184.00322	3.4
189.09109	28.5
189.12808	2.2
195.11752	1.8
195.90974	1.5
197.13275	3.8
202.01332	4.0
202.04039	1.7
207.10168	45.6
207.12039	2.4
207.13663	2.8
210.10391	3.3
225.09155	6.7
225.11227	27.9
225.12857	10.2
225.14819	9.3
225.16847	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	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03939	0.9
55.01871	2.5
55.05499	2.4
55.94278	0.8
59.04986	4.3
63.60632	0.8
67.05511	7.2
69.03432	11.2
69.07057	3.1
69.28669	4.9
69.29092	4.9
71.04979	1.0
79.05496	10.1
81.03416	1.0
81.07063	18.2
83.04974	2.4
83.08656	1.0
85.06534	3.0
91.05482	22.4
93.07047	23.6
95.04954	5.6
95.08621	7.1
97.02279	1.7
97.02895	28.4
97.25061	0.9
98.20779	2.0
99.04442	0.9
99.08080	2.7
101.95003	1.2
105.03431	1.2
105.07030	32.8
107.04948	4.1
107.08607	15.1
109.06514	10.4
109.10137	6.3
111.04448	3.3
111.08090	5.2
113.06009	4.3
115.05415	1.2
117.07013	4.9
119.04951	1.5
119.08583	100.0
121.06519	5.5
121.10132	9.7
123.04410	2.1
123.08071	11.6
123.11701	4.4
125.05964	1.1
128.06239	1.6
129.07033	1.2
131.08557	2.4
133.06477	2.4
133.10132	55.0
134.10385	1.1
135.11676	6.0
137.05977	3.6
137.09627	13.7
143.08551	7.2
145.06474	1.9
145.10146	1.8
146.07301	1.3
147.08051	45.2
148.03267	0.8
148.08884	2.2
149.05962	1.3
149.09589	1.1
151.11203	7.4
161.09627	34.5
163.07567	1.6
163.11214	4.2
165.09123	57.0
171.08023	1.7
179.10687	31.0
189.09103	31.0
189.10471	1.2
190.09393	1.0
192.63103	0.8
207.10181	43.7
225.09021	1.8
225.11215	30.3
225.16458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
50.84663	0.8
50.88753	0.8
52.03216	1.0
53.17606	0.8
55.01871	2.9
55.05511	3.1
55.38247	0.8
57.07056	1.2
59.04995	3.4
59.87437	0.9
61.21714	1.0
61.74178	0.9
64.57344	0.8
65.03928	1.5
67.05510	9.2
69.03431	12.0
69.07066	2.3
69.52033	7.0
71.04970	1.3
79.05502	11.6
81.03403	1.2
81.07064	14.5
83.04967	5.5
83.08613	1.4
85.06557	4.7
91.05479	20.7
93.07050	23.4
95.04964	4.7
95.08608	12.1
96.68830	0.9
97.02893	32.7
97.03517	1.7
99.04415	1.2
99.08092	1.9
105.03368	1.1
105.07037	33.0
107.04956	3.8
107.08595	16.4
109.06525	12.2
109.10159	7.0
111.04433	4.1
111.08053	5.8
113.06014	3.2
114.11173	1.0
115.05461	1.0
117.07040	5.7
119.04887	1.3
119.08587	100.0
120.08929	1.2
121.06490	4.6
121.10154	10.2
123.04457	2.2
123.08086	12.6
123.11694	6.0
125.05992	1.2
127.07504	1.0
128.06227	2.6
129.07002	1.7
131.08553	1.7
131.21898	1.0
133.06500	1.9
133.10138	53.3
133.62361	0.9
135.08008	2.3
135.11697	5.9
137.05969	3.5
137.09627	11.1
143.08569	8.7
143.24870	0.9
145.06485	2.3
145.10152	2.8
146.07306	1.6
147.08046	43.2
148.08789	2.3
149.05998	1.6
149.09579	1.0
151.11203	5.8
161.09622	34.7
162.09921	1.0
163.07608	1.1
163.11169	4.9
165.09120	60.1
166.09549	1.2
171.08054	1.3
179.10680	32.8
180.10864	0.9
189.09120	31.1
207.10172	46.1
225.11191	27.4
246.09988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03928	1.6
55.01859	5.5
55.05514	16.2
56.96560	1.6
57.03425	4.2
57.07063	3.8
59.04990	3.7
64.82976	1.4
65.03925	1.6
67.05501	14.4
68.99782	1.8
69.03429	28.9
69.07056	5.8
69.48152	9.2
71.04988	4.5
79.05492	12.6
80.48804	1.2
81.03409	2.7
81.07055	23.0
83.04984	29.6
83.08611	16.6
85.02889	7.1
85.06548	7.0
91.03208	1.2
91.05482	26.5
93.07043	30.3
95.01272	1.5
95.04972	15.9
95.08620	13.8
97.02893	40.3
97.06518	5.0
99.04451	8.8
99.08081	1.6
101.53013	1.1
103.05441	1.3
105.03374	1.8
105.07031	38.7
107.04959	8.9
107.07880	1.7
107.08596	23.8
109.02908	1.9
109.06525	21.1
109.10162	9.1
111.04454	11.9
111.08101	6.4
112.05209	1.4
113.02362	6.1
113.05993	5.8
115.03970	1.3
117.07046	8.2
119.04959	2.7
119.08585	100.0
121.06518	7.6
121.10153	16.4
123.04464	3.5
123.08079	15.6
123.11713	9.6
125.05992	3.6
125.09615	2.0
127.07552	1.6
128.06212	1.8
129.07024	2.5
131.08583	2.7
133.06477	4.7
133.10130	57.4
134.10567	1.3
135.04428	1.8
135.08043	1.9
135.11702	7.5
136.12077	1.4
137.05991	7.5
137.09612	10.9
139.11295	1.6
141.09055	1.4
143.07037	1.8
143.08546	8.2
145.06480	2.6
145.10161	3.2
146.07266	2.4
147.08046	45.6
147.11684	3.3
149.06009	1.9
149.09662	2.2
151.03934	1.6
151.07532	3.1
151.11195	8.5
153.05522	1.5
155.08510	3.0
161.05963	1.5
161.09630	36.8
163.03902	1.6
163.11165	6.1
165.05458	3.8
165.09117	57.6
165.12758	4.2
167.07054	5.5
167.10696	2.5
169.10146	2.7
171.08025	2.2
174.06854	1.7
179.07104	3.4
179.10699	32.9
180.04179	6.8
181.12277	1.4
183.06575	1.7
183.93358	1.6
184.09496	1.7
187.59763	1.5
189.09122	39.0
189.12714	2.4
193.04941	2.4
195.06500	2.5
207.06558	4.5
207.10167	46.0
207.13791	4.1
225.07513	8.3
225.09402	1.1
225.11151	31.0
225.14842	10.7
225.16660	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	225.112
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
50.06531	1.0
53.03939	2.9
55.01863	4.5
55.05511	6.2
56.96561	2.4
57.03427	2.0
57.07051	2.6
59.04993	6.2
67.05506	11.7
69.03428	18.6
69.07066	5.0
69.63232	6.3
71.04985	4.8
76.52090	1.1
76.52601	1.0
79.05491	11.2
81.03413	1.7
81.07049	16.3
83.04965	8.8
83.08609	3.0
85.02898	3.3
85.06544	4.6
91.05473	25.1
92.06368	1.1
93.07041	33.3
95.04949	7.6
95.08607	12.8
97.02886	35.2
97.06523	5.8
98.06945	1.2
98.97608	1.9
99.04453	7.0
99.08067	2.3
101.95058	1.4
105.03384	3.3
105.07026	36.6
107.04937	7.5
107.08597	18.4
109.06506	13.6
109.10157	9.7
111.04443	7.2
111.08079	6.1
113.02312	1.4
113.06001	4.5
115.05510	1.3
117.07016	3.6
119.04961	3.4
119.08573	100.0
121.06499	7.2
121.10136	15.4
123.04434	3.2
123.08066	14.3
123.11709	7.3
125.05979	2.3
127.03771	1.2
128.06235	3.6
129.06984	1.7
131.08582	3.2
133.06490	2.6
133.10120	69.4
134.10503	1.5
135.04427	1.6
135.08110	1.8
135.11685	6.7
137.05948	4.8
137.09613	14.2
143.08569	8.7
145.06438	1.6
145.10114	2.6
146.07225	2.7
147.04419	3.6
147.08038	49.8
147.11671	2.6
149.09666	2.3
151.07570	2.2
151.11168	8.9
160.98694	1.6
161.09624	36.6
161.13199	1.8
163.03914	3.1
163.07500	2.6
163.11180	4.6
164.11623	1.1
165.05620	2.9
165.09102	62.9
167.07057	4.6
167.10764	2.4
169.10088	2.3
179.07140	1.8
179.10661	40.5
179.12172	2.3
180.04149	6.8
183.11676	1.6
183.13626	1.4
189.09103	32.6
189.12747	1.7
193.04984	2.9
195.06517	2.1
207.06703	2.3
207.10155	49.4
207.13705	2.5
225.07533	4.5
225.09262	1.5
225.11142	33.1
225.16431	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
55.01875	1.7
55.05496	2.1
55.74820	1.1
56.80983	1.1
57.03418	1.3
57.07080	2.2
58.81033	1.2
59.04987	4.7
62.27411	1.2
63.43867	1.0
64.08081	1.2
65.03926	1.5
67.05495	6.2
69.03435	12.3
69.07059	1.7
70.23439	3.9
79.05490	11.7
81.07066	14.7
83.04980	3.3
84.50452	1.0
85.06535	3.7
91.05486	20.4
93.07051	21.7
95.04989	5.3
95.08618	8.4
95.41197	1.0
97.02896	33.8
105.07030	29.8
107.04946	3.8
107.08603	17.1
109.06509	9.9
109.10159	7.6
111.04448	2.4
111.08063	6.6
113.05993	2.2
115.03976	1.5
117.07014	3.7
119.04897	1.4
119.08585	100.0
121.06517	3.8
121.10140	9.7
123.04464	1.4
123.08072	11.4
123.11713	4.5
127.07653	1.3
128.06206	2.8
130.07730	1.3
131.08559	2.8
133.06451	2.2
133.10138	62.2
135.08104	1.2
135.11685	6.1
137.05962	3.2
137.09630	12.6
138.06741	1.3
143.08528	7.2
145.06490	2.0
145.10121	2.5
146.07211	1.8
147.08058	51.1
147.09239	2.7
148.08832	1.5
151.11163	8.1
161.09630	40.7
163.07555	2.3
163.11185	4.0
165.09119	59.2
168.84933	1.4
179.10681	35.3
189.09119	37.9
207.10178	47.7
208.10489	1.2
225.11230	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	225.112
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
52.10097	1.5
53.03940	2.4
55.01861	3.3
55.05518	3.1
55.84420	1.4
56.96558	2.5
57.03438	2.5
57.07060	2.0
59.05000	3.7
60.11576	1.1
62.10326	1.2
64.49329	1.5
65.03944	2.3
67.05498	9.4
69.03425	10.8
69.07062	4.8
70.00346	6.0
71.04993	2.9
71.97874	1.3
77.08846	1.5
79.05490	14.8
81.03432	2.0
81.07048	17.9
83.04989	4.6
85.02904	3.2
85.06525	6.4
91.05473	23.7
93.07038	25.2
95.04968	6.1
95.08618	11.7
97.02889	28.6
98.97591	7.3
99.04430	3.1
99.08081	1.9
103.05479	2.7
105.03413	3.7
105.07029	62.0
107.04946	5.9
107.08600	19.1
109.06509	16.4
109.10156	8.8
111.04430	6.1
111.08086	4.2
113.05993	2.8
116.98596	3.5
117.07015	5.1
119.04918	3.0
119.08578	100.0
120.08906	1.6
121.06499	5.4
121.10149	12.0
123.04490	2.1
123.08057	13.5
123.11732	6.8
125.06022	1.9
128.06203	2.6
131.00201	1.9
131.08510	3.0
133.06497	1.6
133.10127	57.1
135.11702	5.0
137.05972	5.2
137.09622	11.3
143.08546	7.4
145.06483	1.6
145.10083	2.3
147.08040	40.6
148.08891	1.7
151.07544	1.8
151.11191	6.3
158.99641	4.8
161.09615	35.0
162.04407	4.0
163.11217	4.0
165.09114	59.2
171.04904	12.2
171.55074	1.6
173.01233	1.8
177.00694	5.4
179.10660	30.9
181.08597	7.7
182.55705	3.7
183.04903	4.2
188.70395	1.3
189.09103	33.4
189.12692	2.0
192.05476	2.9
205.04405	20.0
205.54686	1.5
207.06645	2.7
207.10167	40.5
207.12076	2.8
207.13846	2.5
225.11209	30.0
225.16550	1.9
225.55820	1.8
225.69133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1122
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
55.05514	3.1
57.07087	3.2
59.04995	3.1
61.84781	2.0
65.03053	2.1
67.05505	9.3
69.03434	15.3
69.53539	20.6
69.53870	4.5
79.05494	10.4
81.07072	16.7
81.71600	1.9
83.04964	2.7
85.06558	4.2
91.05486	22.6
93.07050	28.6
95.04965	4.0
95.08616	10.3
95.51389	2.7
97.02897	32.7
99.08111	2.4
105.07030	28.7
107.04949	4.7
107.08607	18.3
109.06503	12.2
109.10162	7.7
111.04442	5.1
111.08092	6.5
119.08589	100.0
121.06505	5.2
121.10135	11.4
123.08051	12.5
123.11747	4.9
123.74123	2.0
131.08540	3.0
133.10129	68.2
135.08006	2.8
135.11696	7.5
137.05998	4.5
137.09596	10.9
139.63725	2.3
142.98042	2.2
143.08583	9.0
145.06392	2.6
145.10205	4.1
147.08057	53.8
148.08905	2.4
151.11128	6.1
161.09613	48.6
163.11179	4.3
165.09129	67.8
179.10692	38.4
189.09123	44.1
207.10178	58.2
225.11206	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01865	2.2
55.05497	3.2
57.07072	0.9
59.05013	4.3
65.03925	0.9
67.05518	7.5
69.03080	0.9
69.03429	11.9
69.07059	3.1
69.28660	4.4
69.29077	5.2
79.05496	10.2
81.03441	1.0
81.07065	12.8
83.04972	3.4
85.06537	3.9
91.05482	22.7
93.07044	22.8
95.04954	3.9
95.08619	8.7
97.02894	33.0
97.06539	1.2
98.20769	1.8
99.08079	1.4
105.03388	1.6
105.07038	36.2
107.04953	4.5
107.08596	15.9
109.06519	10.7
109.10159	6.3
111.04426	3.2
111.08093	5.6
113.06010	3.2
115.03917	1.3
117.07021	5.3
119.04909	1.9
119.08585	100.0
120.08901	1.3
121.06490	4.5
121.10151	10.8
123.04416	1.4
123.08060	12.3
123.11711	3.6
125.05972	1.7
128.06230	2.0
130.07776	1.1
131.08559	2.4
133.06522	2.1
133.10135	58.3
135.08002	1.0
135.11690	4.8
137.05972	2.7
137.09624	12.0
139.07562	1.3
143.08545	6.0
145.06465	1.7
145.10110	2.5
146.07245	1.6
147.08054	50.5
148.08698	1.8
151.11201	7.9
161.09625	37.0
163.07556	2.5
163.11182	3.4
165.09122	60.2
166.09537	0.8
171.08069	2.2
179.10686	41.8
189.09108	37.6
193.59059	0.9
207.10176	53.3
225.11221	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	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
55.01870	3.5
55.05517	3.0
59.05002	4.1
67.05498	8.3
69.03431	14.1
70.66608	6.5
79.05502	8.6
79.25510	2.0
81.07043	15.5
83.04979	4.8
85.06544	6.5
91.05482	22.1
93.07044	26.9
95.04986	4.9
95.08619	8.6
97.02885	34.5
105.07034	31.1
107.04973	5.1
107.08582	20.2
107.09248	3.2
109.06541	12.1
109.10185	7.0
111.04480	2.5
111.08054	6.6
117.07064	3.9
117.37522	2.2
119.08578	100.0
121.06512	7.7
121.10152	11.6
123.08077	13.8
123.08867	2.3
123.11682	5.3
125.06092	2.4
133.06424	2.9
133.10132	65.4
135.11731	7.7
137.06003	4.2
137.09641	16.2
143.08575	8.4
145.10315	2.0
146.07286	3.7
147.08052	50.9
148.08844	2.5
151.11206	8.4
155.06293	2.2
161.09628	40.3
163.11198	6.0
163.68640	1.9
165.09111	67.2
171.08041	2.6
179.10669	39.4
189.09103	50.7
199.43300	1.9
207.08249	4.4
207.10164	64.6
225.11191	36.6
245.64404	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47388	1.6
55.05515	3.9
57.07082	2.4
59.05008	2.8
62.70751	1.7
66.50430	1.8
67.05509	9.3
69.03432	11.0
69.07078	2.0
70.33241	1.9
71.40085	4.1
79.05491	10.4
81.07059	15.2
83.05010	2.6
85.06563	3.9
89.08029	1.8
91.05486	22.8
93.07049	26.5
95.04971	4.2
95.08643	7.4
97.02895	27.0
105.07033	31.2
107.04990	5.4
107.08596	18.2
109.06519	10.6
109.10188	8.4
111.04502	3.0
111.08137	6.0
113.06059	2.7
117.07071	6.2
119.08587	100.0
121.06548	6.4
121.10158	9.9
123.04407	2.9
123.08109	10.3
123.11747	6.0
128.06207	2.8
131.08504	2.4
133.06552	3.1
133.10135	58.5
135.11705	4.5
137.06068	2.5
137.09654	11.2
143.08617	6.3
145.10156	3.0
146.07315	2.5
147.08064	43.1
151.11247	8.9
161.09621	38.3
161.10918	2.8
163.11243	4.7
165.09117	59.8
173.20166	1.8
179.10677	35.0
189.09116	33.6
207.10207	49.0
207.12003	2.0
225.11220	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1122
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
55.01861	2.8
55.05508	2.5
56.96580	1.7
57.03417	2.4
57.07080	9.0
59.04998	4.2
64.52224	1.3
65.03949	2.0
67.05506	8.7
69.03434	16.1
69.07046	3.6
70.49740	5.8
71.05000	2.6
74.10373	1.5
79.05498	11.1
79.61189	1.3
81.07062	16.8
83.04955	2.2
85.02910	1.8
85.06548	4.2
91.05482	23.9
93.07050	26.5
95.04967	5.2
95.08604	12.6
97.02897	33.7
97.06495	1.6
99.04447	2.4
101.95052	7.6
105.03399	1.8
105.07037	35.6
107.04948	4.0
107.08600	17.3
109.06532	12.5
109.10167	8.0
111.04446	5.8
111.08096	6.0
113.06007	3.6
117.07020	5.3
119.08588	100.0
119.96069	2.6
121.06523	4.6
121.10190	9.3
123.04398	1.8
123.08082	13.8
123.11695	7.3
131.08582	3.7
133.06537	3.1
133.10141	60.7
135.08037	1.8
135.11739	7.1
135.60048	1.5
137.05943	3.1
137.09605	11.9
137.97136	2.4
143.08569	6.4
145.06468	3.2
145.10196	4.0
146.07271	3.0
147.08055	52.7
147.61017	1.5
148.08783	2.2
149.09558	1.5
151.11185	8.1
160.98747	3.3
161.09621	39.7
163.07571	2.9
163.11177	5.2
165.09125	63.2
169.10095	1.8
171.08104	1.5
178.99689	1.7
179.10674	35.0
183.11734	1.8
189.09126	35.4
207.10178	50.9
225.09068	2.7
225.11214	31.5
225.14824	4.5
225.16673	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03951	1.5
53.55466	1.2
55.01872	3.4
55.05507	2.9
56.39003	1.1
57.03398	1.2
57.07076	1.4
59.04992	5.7
67.05508	9.7
69.03429	14.2
69.64027	8.9
71.46439	1.2
77.62743	1.5
79.05501	12.2
81.03367	1.8
81.07060	19.5
82.32403	1.4
83.04986	6.6
85.02940	1.2
85.06554	3.5
91.05479	20.6
93.07053	23.7
95.04962	6.2
95.08606	11.3
95.87384	1.2
97.02894	37.3
97.06561	1.3
99.04479	1.9
99.08096	1.5
101.95042	2.6
105.07033	34.9
107.04948	5.7
107.08596	19.2
109.06517	10.6
109.10143	9.9
110.32168	1.4
111.04437	3.8
111.08092	5.0
113.06015	3.1
117.07026	4.5
118.07795	1.4
119.04918	2.0
119.08584	100.0
121.06512	6.1
121.10144	9.7
121.23436	1.2
123.08080	14.3
123.11706	6.5
125.05984	1.9
128.06244	2.3
129.07040	1.9
131.08562	2.0
133.06528	2.0
133.10130	64.0
135.08038	1.6
135.11684	5.5
137.06029	3.0
137.09627	12.1
137.97104	1.8
143.08539	9.5
145.06471	3.1
145.10130	3.3
146.07277	2.3
147.08043	52.2
148.08772	1.7
151.11174	8.7
161.09628	42.2
163.07547	1.8
163.11197	3.7
165.09117	66.5
171.08075	1.8
179.10684	38.6
189.09111	42.0
207.10176	53.6
225.09023	3.0
225.11208	40.6
225.14645	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.112
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
55.01860	3.4
55.05500	7.9
56.96557	3.9
57.03429	1.9
57.07072	3.8
59.05001	3.6
65.03928	2.5
67.05495	11.7
69.03422	17.2
69.07066	6.5
71.04981	6.3
71.08591	2.5
71.57672	1.6
79.05496	15.3
81.03416	3.1
81.07050	22.4
83.04977	7.8
83.08627	3.0
85.02891	3.3
85.06544	4.1
91.05476	22.6
93.07044	27.9
95.04982	7.4
95.08603	14.6
97.02886	29.3
97.06529	2.0
97.10162	2.4
98.59396	1.2
99.04459	7.7
99.08102	2.6
101.95029	11.2
102.14291	1.3
105.03403	3.1
105.07027	35.5
105.25288	1.1
107.04954	5.2
107.08590	22.5
109.06519	15.3
109.10158	12.0
111.04430	5.6
111.08061	5.8
111.74207	1.2
113.05986	2.9
116.27682	1.1
117.07005	4.4
119.04960	3.4
119.08578	100.0
119.96078	5.8
120.08820	1.5
121.06499	4.1
121.10126	15.1
123.04407	2.9
123.08072	17.3
123.11719	10.2
125.06010	3.0
125.09597	1.5
128.06168	2.4
129.06992	2.6
131.08577	3.4
133.06496	3.0
133.10130	55.5
135.08090	1.2
135.10774	1.2
135.11687	6.5
137.05995	4.2
137.09622	11.6
137.13268	1.6
137.97087	9.3
141.06970	2.2
143.08563	8.8
145.06490	2.2
145.10094	4.0
146.07240	2.8
147.04414	1.3
147.08043	46.1
147.11690	3.5
148.08882	1.8
149.09613	4.8
151.07587	2.1
151.11162	8.2
155.08568	3.1
155.98154	6.3
160.98708	8.7
161.09613	34.0
163.07558	2.5
163.11218	7.3
165.05357	1.4
165.09108	55.2
165.12770	2.6
166.07765	1.3
167.08586	1.7
167.10696	4.1
169.10083	6.3
171.11646	1.5
176.82568	1.3
178.99788	5.5
179.10670	32.9
181.10112	1.5
182.10950	2.0
183.11693	4.9
183.13928	1.7
184.00348	1.7
189.09102	33.1
189.12711	2.4
189.16362	1.3
195.11792	1.5
197.13206	1.9
202.01491	1.5
207.06705	1.9
207.10161	41.1
207.13768	4.8
225.07475	2.3
225.09181	2.2
225.11057	29.4
225.14827	16.2
225.16469	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	225.112
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
55.01863	2.3
55.05498	1.6
57.07063	0.9
57.51729	0.9
59.04993	4.1
63.70835	0.8
63.96751	0.8
65.03912	1.1
67.05497	7.8
67.53576	0.7
69.03429	13.0
69.07056	1.9
70.72466	1.6
70.72828	2.0
71.04996	1.1
73.87668	0.8
79.05491	10.3
81.03393	0.9
81.07056	14.7
83.04967	2.4
83.08586	1.1
85.06524	3.8
88.91440	0.8
91.04903	1.2
91.05479	24.5
93.07039	25.4
95.04987	5.7
95.08607	9.7
97.02284	1.7
97.02891	32.1
97.06516	1.3
99.08113	1.5
105.07028	31.5
107.04935	3.7
107.08593	17.1
109.06519	11.5
109.10155	8.4
111.04424	3.8
111.08076	5.8
113.05993	2.4
115.05452	1.0
117.07007	5.3
119.08578	100.0
121.06491	4.9
121.10140	10.7
123.04447	2.2
123.08072	11.3
123.11672	5.0
125.06000	1.0
128.06215	2.7
129.07027	1.5
131.08536	2.7
133.06441	2.1
133.10129	60.1
135.07985	1.1
135.11697	6.2
137.05949	3.0
137.09615	11.8
143.08568	9.7
145.06400	1.2
145.10097	2.2
146.07217	1.7
147.08038	49.7
148.08696	1.2
149.09406	0.9
151.11185	7.8
161.09615	38.1
163.07516	2.6
163.11147	5.2
165.09109	57.9
171.08051	1.7
179.09088	1.9
179.10669	35.1
189.09103	35.5
207.10165	45.4
225.08994	1.9
225.11209	28.3
225.13371	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.112
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
51.29689	1.1
55.01860	3.7
55.05514	6.1
56.05027	4.0
58.74773	1.1
59.05000	4.9
67.05500	8.7
69.03432	13.1
69.07059	4.5
69.94333	1.3
71.04992	3.2
79.05504	11.9
81.07056	16.9
83.04969	3.9
83.08616	3.2
85.02914	2.2
85.06546	5.4
90.45816	1.3
91.05485	24.5
93.07043	25.5
95.04972	5.3
95.08602	11.7
97.02892	34.4
97.06551	1.5
99.04472	4.9
100.11257	2.3
103.05480	1.5
104.06273	1.5
105.03383	2.7
105.07034	36.1
107.04939	5.1
107.08593	20.6
109.06520	14.7
109.10166	9.4
111.04460	5.0
111.08095	7.4
113.06004	2.0
117.07056	4.9
119.04908	2.1
119.08582	100.0
121.06488	9.2
121.10152	12.2
123.08092	12.7
123.11708	7.4
125.05987	1.5
128.00786	7.8
128.06229	3.9
129.07092	1.4
131.08565	1.5
133.06522	3.4
133.10127	65.9
133.63676	1.5
135.07990	1.7
135.11685	6.9
137.06004	5.1
137.09616	14.2
141.07047	1.3
141.09073	1.4
143.08542	7.6
143.11830	2.5
145.06537	1.8
145.10121	2.5
146.07295	1.3
147.08044	51.9
148.08855	1.9
149.09628	2.1
151.11195	7.3
161.09625	43.0
163.07552	2.1
163.11159	6.3
165.09113	58.9
166.09451	1.6
167.06937	2.0
167.10666	3.6
169.10146	1.6
169.11810	1.2
171.08034	2.8
179.10675	35.5
180.04228	2.4
189.09116	38.3
207.10162	45.9
207.13618	2.2
225.07280	5.6
225.11198	34.0
225.16254	7.3
226.19089	6.2
229.85237	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
51.30341	1.2
55.01867	2.6
55.05501	3.6
57.07070	1.7
59.04995	4.0
63.21026	1.3
65.03931	1.4
67.05499	7.5
68.47549	1.1
69.03429	16.7
69.07066	2.9
71.04979	2.7
71.05370	3.1
79.05486	12.0
81.03423	3.8
81.07064	15.6
83.04981	5.8
85.02912	1.6
85.06541	2.0
91.05482	21.3
93.07045	25.7
94.13632	1.2
95.04974	8.2
95.08608	9.6
97.02278	2.4
97.02897	34.0
97.19331	1.2
99.04486	2.1
99.08044	1.8
103.05453	1.7
105.03397	2.5
105.07037	36.0
107.04947	4.2
107.08599	19.5
109.06547	12.1
109.10159	7.4
111.04430	4.4
111.08086	6.9
113.05980	3.4
117.06998	4.1
119.04929	2.2
119.08586	100.0
120.08842	1.2
121.06479	6.6
121.10129	9.8
123.08080	12.5
123.11765	6.5
128.06239	2.4
133.06483	3.1
133.10133	60.1
135.11679	6.5
137.05969	3.9
137.09619	10.1
143.08545	7.4
145.06514	2.6
145.10109	2.7
147.08049	49.0
148.08643	1.3
149.05963	1.3
151.07503	1.6
151.11137	6.9
161.09630	39.7
163.07550	1.9
163.11188	5.0
165.09117	57.5
179.10684	32.9
189.09113	33.8
202.59224	1.3
207.10164	47.1
208.10460	1.9
216.38527	1.6
222.53119	1.4
225.11188	29.1
225.14651	1.7
225.16640	1.8
228.98901	1.4
231.01300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.112
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03945	2.5
55.01854	3.7
55.05510	7.0
56.96561	1.2
57.03432	2.0
57.07062	2.3
59.05005	5.0
65.03938	1.4
67.05502	13.6
69.03133	1.1
69.03430	12.8
69.07053	4.5
71.04977	4.5
71.24171	2.9
72.48894	1.0
75.91776	1.1
79.05496	13.2
81.03437	5.8
81.07058	23.6
83.04993	5.1
83.08614	4.3
85.02899	2.7
85.06541	4.9
87.04523	1.5
91.05482	28.9
93.06474	1.7
93.07045	30.5
94.06519	0.9
94.43601	1.1
95.04964	10.0
95.08608	16.6
97.02896	31.5
97.06516	3.1
97.10123	1.1
98.97626	2.1
99.04444	4.9
99.08073	2.2
101.94984	1.6
103.05451	1.8
105.03392	2.3
105.07028	42.9
107.04947	6.7
107.08592	22.5
109.02912	1.3
109.06512	18.3
109.10149	12.6
111.04420	5.0
111.08062	5.4
113.05994	4.2
115.05443	2.0
117.07001	5.3
119.04931	5.7
119.08578	100.0
120.08898	1.2
121.06508	6.8
121.10123	16.1
123.04445	3.1
123.08067	18.8
123.11699	6.1
125.05968	3.9
125.09576	1.4
128.06204	1.2
129.06984	1.4
131.08534	4.5
132.05678	1.9
133.02798	1.1
133.06488	2.1
133.10127	59.6
134.99611	1.1
135.07993	1.1
135.11726	6.5
137.05975	4.8
137.09621	12.2
143.08574	9.2
145.06497	2.1
145.10147	3.5
146.07225	2.0
147.04382	2.1
147.08040	45.2
147.11671	3.8
148.08798	1.9
149.05960	1.7
149.09650	5.0
150.01324	1.6
151.07553	3.5
151.11180	10.5
153.05396	2.2
155.08586	1.1
161.05798	1.1
161.09615	37.6
161.13248	2.2
163.03839	1.1
163.07547	3.5
163.11179	10.8
165.01917	1.1
165.03696	2.3
165.05417	1.8
165.09113	60.6
165.12749	1.9
167.06966	5.0
167.10625	1.2
169.10078	1.4
171.08043	1.3
177.05463	3.6
179.10675	32.7
179.14201	2.6
180.04190	3.6
180.10878	1.1
183.11691	2.4
183.13693	1.4
189.09103	36.9
189.12721	2.1
192.07814	2.9
193.03162	3.0
193.04936	3.1
193.12195	2.1
195.06401	1.4
197.08025	1.3
207.06602	1.9
207.10164	42.8
207.13768	4.5
207.17523	1.6
225.05696	2.6
225.07581	2.1
225.09216	2.1
225.11115	29.0
225.14755	2.6
225.16406	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	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
55.01874	4.1
55.05497	8.6
56.96562	5.6
57.03427	2.2
57.07064	5.1
58.82295	1.4
59.05000	4.1
65.03934	1.7
67.05502	13.4
69.03433	14.4
69.07063	6.8
71.04977	5.5
71.08636	1.7
71.59097	3.0
79.05486	14.1
80.04972	2.5
81.03418	2.6
81.07056	25.8
83.04539	1.7
83.04990	5.9
83.08625	3.1
85.02893	3.7
85.06522	4.4
87.19610	1.7
89.39761	1.5
91.05479	62.5
93.07041	27.6
95.04964	9.2
95.08612	14.4
96.89217	1.6
97.02893	34.0
97.06533	3.2
99.04460	7.4
101.95042	17.3
105.03388	4.7
105.07033	34.6
107.04953	8.1
107.08596	22.9
109.06525	15.8
109.10159	10.6
110.52937	1.5
111.04427	4.5
111.08094	7.4
113.02384	1.8
113.06033	3.4
115.05491	2.8
117.07015	4.4
118.97777	1.9
119.04926	1.9
119.08582	100.0
119.96072	11.0
120.97791	1.5
121.06516	6.3
121.10141	14.0
123.04456	3.1
123.08062	19.4
123.11708	8.1
125.06006	2.6
128.06236	3.4
131.08572	1.6
133.06534	3.2
133.10135	56.0
135.11687	6.8
137.05977	3.4
137.09622	11.8
137.97079	13.9
143.08571	9.4
145.10139	2.8
147.08051	41.2
147.11665	2.7
148.08789	2.5
149.09656	4.7
151.11214	8.1
155.98177	5.4
160.98749	9.4
161.09624	35.6
161.13229	2.5
163.06300	1.9
163.07532	2.6
163.11168	6.1
165.05569	1.7
165.09111	62.5
167.10681	4.1
169.10141	4.8
178.99786	5.8
179.10690	33.3
179.14310	2.0
180.04385	1.7
181.10196	2.9
183.11688	3.6
183.13818	2.1
184.00493	1.8
189.09096	30.7
189.12804	2.4
189.16524	2.5
193.05339	1.8
195.08174	2.1
207.06665	2.8
207.10161	45.6
207.12053	2.3
207.13780	3.5
225.09171	2.6
225.11127	29.4
225.14612	23.1
225.16191	3.9
226.10001	2.3
226.12259	6.2
226.25250	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45078	1.5
60.39783	1.6
70.21895	1.4
71.57090	1.6
71.57507	2.8
75.41331	1.5
78.47836	1.4
84.96008	2.2
89.91981	1.5
98.97570	2.1
100.02406	2.2
101.00897	14.7
110.07221	1.7
113.29740	1.5
119.01921	100.0
120.02068	3.3
124.02476	4.0
137.01964	3.2
137.02956	45.2
138.03050	2.2
142.03497	61.0
143.01941	1.9
143.03627	2.5
157.84755	1.7
160.04565	26.3
161.02948	14.7
165.05109	2.8
177.00961	24.7
178.00995	2.5
178.13487	1.6
178.19781	1.5
179.04001	39.5
184.04561	2.9
187.99266	2.5
190.49548	4.4
190.99539	1.8
199.50044	27.9
200.00136	10.4
200.49974	2.7
201.00627	2.5
202.05641	5.7
208.95891	1.6
211.00916	9.1
211.50900	3.3
217.04019	2.8
219.01979	17.6
220.02124	3.1
238.95514	2.8
243.01854	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
52.59433	1.7
55.01863	5.1
55.05505	10.6
56.24680	1.9
56.96564	2.5
57.03428	3.0
57.07068	6.6
59.04985	4.8
60.51514	1.8
60.72313	1.7
67.05505	16.1
69.03424	15.6
69.07049	7.9
70.70686	5.7
71.04982	5.8
78.30793	1.7
79.05499	14.9
81.03407	3.8
81.07056	23.0
83.04962	5.3
83.08611	4.5
85.02898	3.5
85.06540	4.4
91.05481	24.5
93.07030	31.9
95.04964	9.4
95.08604	18.2
97.02896	32.2
97.06543	2.8
99.04465	8.5
99.08103	2.7
101.95029	12.9
104.06189	1.8
105.03379	5.7
105.07028	37.3
107.04951	6.8
107.08585	26.1
108.15498	1.6
109.06531	15.6
109.10165	11.8
111.04414	4.0
111.08076	7.3
117.07008	5.0
119.01913	2.2
119.04925	2.8
119.08582	100.0
119.96076	8.6
121.06507	6.9
121.09362	2.5
121.10123	13.0
123.04433	2.9
123.08061	20.6
123.11706	11.1
127.03760	1.7
127.07520	2.0
127.72872	1.6
128.06195	2.5
129.06952	2.7
129.33305	1.9
131.08562	2.9
133.06464	1.8
133.10133	61.5
135.07993	2.0
135.11691	8.1
137.05986	3.9
137.09599	17.5
137.97102	12.4
141.07001	4.3
142.21152	2.4
142.97626	2.6
143.08551	11.3
145.06439	2.8
145.10101	4.5
146.07275	2.2
147.04382	3.1
147.08038	49.5
147.11719	4.2
149.09602	2.5
151.11168	8.4
154.07742	2.3
155.08562	7.5
155.98167	8.0
156.09290	2.1
157.10153	2.6
160.98701	14.7
161.08250	3.6
161.09621	39.9
161.13356	2.4
163.07570	3.6
163.11171	4.0
165.05553	2.0
165.09116	61.1
165.12769	2.3
167.08534	6.4
167.10667	3.0
169.10121	14.1
171.08038	3.0
178.07744	2.3
178.99768	7.7
179.02106	2.2
179.09035	3.1
179.10680	33.5
181.10167	6.1
182.10942	5.0
183.11662	12.0
183.13710	2.5
184.00369	2.2
189.09108	41.1
189.12730	5.0
192.09286	3.0
195.08003	7.5
195.11743	2.9
196.08838	2.6
196.12384	3.2
197.09633	3.0
197.13205	5.2
197.18991	1.8
204.11801	2.1
207.06561	4.4
207.10147	48.8
207.11977	4.5
207.13725	4.2
207.17480	2.4
209.09607	2.5
210.10457	11.0
210.13954	5.4
224.63036	2.2
225.09146	4.0
225.11145	26.9
225.12750	34.8
225.14807	11.2
225.16730	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01865	6.4
55.05513	5.3
56.96565	78.3
57.03444	18.4
57.03685	4.0
57.07063	5.2
61.02919	10.5
67.05509	5.5
69.03411	22.3
69.07046	5.3
70.06575	10.6
70.88474	8.9
70.88808	3.9
71.04991	9.3
72.08161	7.1
73.02922	32.1
74.06068	5.1
79.05515	4.4
81.03409	13.3
81.07034	6.4
83.04946	6.2
83.06112	3.7
84.04496	21.8
84.08151	22.8
84.96031	58.0
85.02900	35.2
86.09708	14.6
87.04472	9.1
91.05463	8.3
93.07045	5.1
95.04978	4.4
95.06091	4.7
95.08577	10.8
97.02898	32.8
97.06514	5.0
97.99178	4.1
98.97578	40.7
99.04455	12.1
101.00893	15.1
102.97036	9.8
103.03913	7.0
105.03358	4.7
107.08595	7.5
109.02881	9.8
109.06480	7.4
109.10158	4.4
110.07111	6.0
111.05554	4.3
115.03922	6.5
116.00150	3.4
116.51260	3.2
116.98625	50.6
119.01913	100.0
119.08588	8.3
123.08042	7.2
124.02333	6.8
127.03904	15.2
128.98586	5.2
129.02959	4.8
129.10268	4.5
131.00150	4.3
131.01906	15.2
133.01730	4.2
133.03497	8.3
134.99651	28.6
137.02951	40.1
137.05937	3.5
138.03419	6.5
142.01750	3.9
142.03493	46.2
143.01903	17.3
144.03455	7.7
145.01662	5.8
145.03424	8.8
145.04984	7.6
146.99681	4.1
149.02966	6.4
150.05452	5.2
152.05705	4.1
153.00719	8.6
153.03926	11.8
155.00148	4.5
155.01852	7.7
157.03444	19.6
158.01208	5.6
158.99712	4.2
160.04581	49.4
161.01164	3.1
161.01614	4.7
161.02939	49.2
162.03067	7.7
165.03978	6.8
165.09180	5.3
166.03473	3.8
167.01872	5.3
169.03464	5.8
173.01340	7.9
173.02937	26.2
174.04460	11.4
175.02913	5.0
175.04495	24.9
177.00810	4.6
179.03996	39.4
182.99594	22.2
184.04555	96.3
185.02922	25.0
185.04478	3.7
187.04555	5.1
188.97032	4.7
197.02972	5.6
201.00700	74.1
201.02505	4.9
202.03857	13.5
202.05580	67.8
203.03989	19.7
204.04210	6.5
205.03775	4.6
205.05429	10.1
205.07202	4.6
206.98105	6.6
215.04015	6.0
219.01746	19.0
220.04947	7.8
225.07309	4.2
225.12637	6.8
227.03976	4.8
243.01765	4.5
245.05043	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	225.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66406	0.7
55.05499	1.1
55.93518	1.0
56.94315	6.3
57.07046	3.0
67.05470	2.4
69.03409	1.2
69.07069	10.8
69.31309	9.1
70.95860	8.4
71.04996	4.5
72.93790	21.3
79.05482	1.7
81.07056	12.4
83.08619	0.8
85.06512	0.8
88.96905	5.0
90.94824	12.3
91.05447	2.0
93.07021	2.4
95.04927	1.3
95.08059	1.0
95.08613	14.3
97.02866	1.1
98.21563	1.1
99.04424	2.2
104.96313	1.1
105.03361	1.8
105.06995	2.7
105.94218	0.8
107.08553	1.8
108.95854	3.6
109.06487	1.6
109.10152	1.4
111.98440	1.8
113.96399	13.2
117.51861	0.7
119.07946	0.6
119.08594	6.8
121.10136	1.4
123.08050	1.9
129.99477	1.3
131.97443	12.2
133.10077	4.7
137.09630	1.2
137.13264	8.3
141.06990	1.4
142.97878	0.9
143.08580	1.2
147.08023	3.3
147.09082	0.7
149.09547	1.2
154.99045	3.5
155.08504	2.6
160.98950	11.3
161.09599	3.3
163.11171	0.8
165.09097	3.1
167.10652	0.8
168.09402	0.9
169.10107	7.4
179.00024	81.2
179.10675	2.3
181.10139	1.0
182.10892	1.0
183.11763	3.6
184.00557	37.7
189.09100	2.1
193.01395	0.8
195.11522	1.0
196.12372	1.0
197.01086	10.2
197.13211	1.2
202.01619	100.0
203.01801	1.1
207.10107	2.0
207.13898	1.1
210.13995	1.1
220.02705	3.0
225.03224	40.2
225.09160	1.7
225.10963	1.3
225.12743	2.8
225.16553	9.0
225.19948	0.9
226.03481	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.9562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96581	4.5
57.03441	4.3
60.08162	6.8
61.02925	7.4
68.63698	3.4
69.03433	5.4
71.30669	5.5
71.30996	7.2
73.02910	8.7
85.02907	12.2
90.08746	3.8
94.93019	100.0
119.01924	16.0
120.94583	5.5
136.94022	28.9
142.03506	8.5
154.17148	4.4
161.02945	6.1
179.04030	6.4
192.55647	7.9
193.10823	4.1
196.32545	4.4
202.05954	4.0
221.05022	4.6
224.93587	7.9
224.95627	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	224.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.01854	0.2
55.05511	11.6
56.96563	0.6
57.03424	0.2
57.07062	0.6
58.06599	10.1
63.59807	0.2
65.03918	0.2
67.05504	11.4
68.05834	0.2
69.03431	1.5
69.07067	8.0
70.97889	0.5
70.98225	0.2
71.04980	0.3
72.08149	1.1
79.05495	1.2
79.05885	0.2
80.16717	0.2
81.03397	0.4
81.07054	13.0
83.04987	1.6
83.08617	4.6
84.08131	0.3
85.02894	0.5
85.06562	0.2
91.05491	1.2
93.07044	1.0
95.04945	0.6
95.08605	10.9
97.02893	0.9
97.10179	1.1
97.10676	0.2
97.50244	0.2
98.09669	0.4
99.04453	0.3
105.07011	0.9
107.04928	0.3
107.08571	0.8
109.06435	0.3
109.10155	5.1
111.04430	0.8
111.11692	0.3
113.02335	0.4
117.06936	0.2
119.08574	2.2
119.96083	0.4
121.06489	0.2
121.10126	0.4
123.08086	0.5
123.11729	1.9
133.10135	1.2
137.09634	0.5
137.13243	0.7
137.97189	0.2
143.08553	0.2
147.08025	1.1
150.02692	0.3
154.15823	0.3
157.05049	0.2
161.09596	0.8
165.09090	1.5
167.07153	0.2
167.10713	0.2
178.08708	0.2
179.10648	0.8
189.09137	0.8
207.10217	1.2
207.13734	0.3
224.06549	0.4
224.23726	100.0
225.07651	0.2
225.11172	0.7
225.14728	0.2
225.24051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43716	0.3
53.03930	0.7
55.05514	11.1
56.96558	0.9
57.07063	0.8
58.06602	10.2
67.05505	10.1
69.03419	0.8
69.06733	0.5
69.07074	8.4
70.84651	0.9
71.08606	0.3
72.08140	0.7
79.05476	1.1
81.03433	0.4
81.06582	0.7
81.07059	13.6
83.04988	0.4
83.08621	5.3
91.05471	1.1
93.07039	1.4
95.04986	0.6
95.08610	12.0
97.02890	1.2
97.10162	1.6
99.04436	0.4
101.95029	0.9
105.07046	1.6
107.04906	0.6
107.08586	0.8
109.10160	5.8
111.11722	0.6
119.08572	3.2
119.96039	0.5
121.10107	0.6
123.08104	0.8
123.11685	1.7
125.05990	0.4
133.10161	2.4
135.11722	0.4
137.13222	0.9
147.08060	1.5
150.02649	0.4
151.11185	0.5
160.98659	0.6
161.09584	1.4
161.85751	0.4
165.09138	1.9
179.10648	1.3
189.09091	1.1
207.10185	1.3
216.54953	0.3
224.23737	100.0
225.11197	1.3
225.24066	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07520	1.4
55.01864	2.1
55.02978	1.3
55.05509	3.7
56.05038	4.3
56.96560	33.2
57.03435	2.9
57.07070	2.6
58.06614	2.3
59.05006	1.6
60.04523	4.9
60.08161	98.4
61.02938	2.1
65.03951	1.6
65.64138	1.2
67.05500	3.1
69.03439	6.6
69.07072	4.7
70.06590	6.2
70.12192	6.2
71.04984	7.7
72.08147	10.2
73.02917	4.6
74.06091	1.8
74.97598	1.6
79.05479	2.2
81.03403	2.6
81.04541	1.5
81.07071	3.0
82.06567	2.3
83.04992	4.4
83.06100	3.9
84.04495	9.0
84.08145	25.3
84.08618	2.1
84.96057	4.9
85.02908	8.2
85.06560	1.8
85.08489	1.4
86.09704	12.2
87.04482	1.9
88.03992	3.1
91.05497	9.1
93.07056	3.9
93.08996	1.4
94.06541	1.4
95.04969	22.5
95.06069	2.1
97.02882	6.9
97.06510	1.9
98.06052	1.4
98.97565	14.2
99.04477	2.2
99.05558	1.6
102.97040	1.3
103.05493	2.4
107.04981	1.7
109.02879	1.7
109.06543	2.6
109.07649	1.6
110.07206	1.8
111.04491	1.7
111.09193	1.6
112.05106	3.3
116.98608	15.2
117.03402	1.5
119.01886	6.5
119.04930	42.1
119.08604	2.3
121.06539	3.7
121.07609	1.4
122.10519	1.4
123.04422	100.0
123.08041	2.0
123.11793	1.3
126.05511	1.6
127.03936	2.6
128.02393	1.8
128.98654	1.5
129.10226	13.4
130.08662	3.1
134.99652	13.2
136.06219	13.0
136.07599	2.0
137.02951	3.0
137.05984	3.3
139.00612	1.4
139.04005	1.7
142.03552	2.7
143.00212	1.9
145.02847	2.2
146.99695	3.5
147.03235	3.0
147.04402	35.0
147.11339	2.4
148.04819	1.6
149.73952	1.4
150.02737	1.7
152.05753	2.6
153.00728	3.3
157.01764	4.5
158.97305	3.4
158.99643	2.2
160.04642	2.8
161.01280	5.6
161.02971	3.8
161.04750	2.2
162.99179	1.5
163.02777	2.5
165.05469	66.7
165.09175	1.7
173.01328	3.2
173.02808	2.2
175.02818	7.2
175.04193	2.1
176.98344	6.1
177.00691	7.3
177.05522	3.4
178.08690	5.1
182.99739	5.0
184.04927	3.7
193.03802	6.6
195.01740	1.6
200.98615	1.9
201.00693	24.6
201.02284	2.2
201.04034	2.0
201.98846	1.6
202.03920	3.1
203.07657	5.4
205.00139	1.7
206.06737	1.7
206.10272	1.8
207.06526	1.7
218.99651	2.8
219.01682	18.5
219.05243	1.6
224.01996	1.5
224.07451	2.3
224.09322	3.5
224.12924	67.5
224.17422	2.6
225.12805	1.6
226.04478	3.6
237.02893	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	60.8
57.07079	36.5
60.08345	3.6
67.05501	4.7
69.07069	100.0
70.06596	5.2
70.67309	8.9
71.06071	5.4
71.08624	23.9
77.77546	3.8
79.05493	5.4
79.69553	3.1
81.07054	8.4
83.06104	4.0
83.08622	63.9
85.10162	8.4
93.07025	5.6
95.06042	4.2
95.08605	4.8
97.07675	8.5
97.10175	57.7
98.07143	4.0
98.20858	4.5
106.07500	3.4
107.08600	4.4
110.07182	6.4
111.08045	3.6
111.09216	3.4
111.11729	28.0
112.08746	8.1
114.10251	8.2
119.08600	3.8
121.02851	5.1
121.10130	6.0
122.07206	5.4
123.08041	4.1
124.08784	5.1
125.13264	7.6
126.44744	3.4
135.11694	3.8
137.08226	4.6
138.10210	5.7
140.11774	5.0
148.70090	3.4
149.02379	16.9
159.11636	4.8
163.03946	5.7
163.09776	12.7
163.11034	4.5
165.05460	6.3
223.06010	14.8
223.13403	6.4
223.17010	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	223.2056
Annotation	(E,Z)-farnesol
Peak:m/z	Relative Intensity
50.08854	1.6
55.01894	1.9
55.05508	14.3
57.07067	9.4
59.26392	1.9
59.78956	1.4
61.88321	1.6
63.34666	1.6
67.05507	32.9
68.06959	1.6
69.07070	34.5
69.60800	3.9
69.61201	11.0
69.68399	1.6
71.04997	8.5
71.08606	2.1
79.05491	15.8
81.03407	2.5
81.07059	61.3
83.04985	4.0
83.08625	14.8
85.06542	62.8
91.05498	6.3
93.07041	36.5
95.04985	2.2
95.08607	51.5
97.06527	5.8
97.10168	7.7
99.08086	5.8
100.41343	1.8
105.07054	5.2
107.08592	33.0
109.06496	3.0
109.10156	100.0
111.08088	4.1
111.11705	2.4
113.09679	2.1
119.08593	2.4
121.02859	1.6
121.10136	25.6
123.11706	79.5
125.09642	2.1
131.08528	3.1
133.10138	3.7
135.07976	2.4
135.11699	23.2
137.09641	2.9
137.13287	7.9
139.11200	2.1
145.10146	3.3
147.11702	2.8
149.02361	24.8
149.05945	1.6
149.09650	4.9
149.13261	70.2
158.01186	2.3
159.11707	2.2
162.03123	2.3
163.03975	3.5
163.11250	3.9
163.14835	9.6
165.07043	2.3
165.09117	1.7
167.05756	1.7
167.08527	2.9
167.14407	1.9
172.46155	2.1
177.12770	1.8
177.16400	3.5
179.08580	2.7
180.09341	2.9
181.10161	2.5
187.14937	2.8
190.02690	2.8
192.70612	2.2
193.10138	4.8
195.11719	3.8
205.12274	3.7
205.15866	2.8
205.19524	34.8
208.12428	5.4
223.05928	15.7
223.11237	6.7
223.13051	3.1
223.13567	2.5
223.14859	13.7
223.16974	9.7
223.20528	18.0
225.04318	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2057
Annotation	(E,Z)-farnesol
Peak:m/z	Relative Intensity
51.78101	1.5
53.03929	2.4
54.24189	1.6
55.05301	2.1
55.05518	22.5
57.03425	2.2
57.07083	12.3
57.27771	2.1
67.05176	2.9
67.05508	46.7
69.03451	2.1
69.07071	38.1
70.18604	7.6
71.04987	3.3
71.08620	4.3
79.05493	18.8
81.07064	85.1
83.04967	4.6
83.08623	21.2
85.02881	2.2
85.06547	21.5
89.06020	1.9
91.05481	7.5
93.07048	48.4
95.04955	5.7
95.08612	100.0
97.06506	4.9
97.10181	15.5
98.20766	2.0
99.08108	11.0
105.07006	6.6
105.76933	2.1
107.04977	2.0
107.08602	47.2
109.10164	95.9
111.08100	9.3
111.11706	7.1
111.50407	1.7
113.09631	3.5
116.98666	2.0
117.07013	2.9
117.27364	1.7
119.08540	5.5
121.02916	2.8
121.10145	32.0
123.07993	3.3
123.11717	66.3
125.09626	7.1
127.11176	2.5
131.08525	4.2
133.10138	2.4
134.99666	2.1
135.08025	4.4
135.11711	34.8
137.09589	3.4
137.13235	7.5
139.11134	4.5
141.12730	2.1
145.10106	4.0
147.08142	2.6
149.02336	37.4
149.09679	3.7
149.13261	71.7
153.12772	2.8
159.11662	5.2
161.13248	2.5
162.03102	1.8
163.03882	1.9
163.11180	4.5
163.14886	10.8
165.06995	3.7
167.08601	2.1
167.14290	4.3
177.05490	4.1
177.12758	3.3
177.16405	13.1
179.08443	3.1
179.17958	27.4
180.09338	2.3
181.10098	2.7
181.12279	2.4
187.11195	3.1
188.18922	2.2
193.10091	4.2
194.10966	2.1
195.11728	3.4
205.12276	4.8
205.15901	3.7
205.19559	40.0
208.08795	2.0
208.12410	4.3
223.06027	8.4
223.11469	9.8
223.14815	14.1
223.16948	14.1
223.20598	52.2
225.04324	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2057
Annotation	(2E,6E)-Farnesol
Peak:m/z	Relative Intensity
55.05501	11.5
57.07057	11.3
62.07028	2.9
67.05508	29.1
69.07055	19.6
70.54309	11.9
71.04999	4.0
79.05493	12.4
81.07057	65.8
83.04977	5.8
83.08613	13.1
85.06558	4.5
91.05483	8.1
92.17062	3.4
93.07034	37.2
95.04954	5.0
95.08611	59.4
97.06496	4.4
97.10170	6.4
98.97597	3.9
99.08080	6.0
105.07038	7.8
107.08603	40.2
109.10167	41.0
111.08047	7.1
116.98661	3.9
117.07016	3.6
119.08601	6.6
121.06496	3.4
121.10150	29.4
123.11700	20.9
125.09637	4.7
131.08585	4.5
133.10094	5.3
135.11719	23.0
137.13327	7.6
139.07532	3.7
145.10139	6.4
147.11711	3.7
149.02328	50.8
149.05937	4.0
149.13260	100.0
159.11810	4.0
163.03934	5.5
163.11154	4.4
163.14879	4.5
165.06982	3.6
167.08549	5.0
177.12758	4.1
179.08546	4.1
180.09375	4.8
181.10121	7.5
181.12332	4.3
187.11382	3.4
193.10124	11.9
195.11766	5.4
205.12184	10.9
205.15866	5.4
205.19540	52.8
208.12428	9.2
223.05942	17.1
223.11292	6.3
223.13057	7.9
223.14838	23.0
223.16968	16.6
223.20551	17.4
225.04381	3.2
244.86082	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	223.2056
Annotation	(Z,Z)-farnesol
Peak:m/z	Relative Intensity
52.11628	1.0
55.05263	1.3
55.05512	18.6
57.03415	1.9
57.07076	16.3
65.03948	1.8
67.05171	1.9
67.05504	21.7
68.47545	1.2
69.03413	5.0
69.06724	1.6
69.07070	24.2
71.04980	5.2
71.08620	3.4
71.31695	1.8
72.36870	1.1
79.05490	10.7
81.03399	3.5
81.07062	34.7
83.04976	3.9
83.08619	70.6
85.02908	1.3
85.06535	15.3
91.05471	4.6
93.06474	1.9
93.07048	30.3
95.04944	4.6
95.08607	32.8
97.02886	9.8
97.06511	2.2
97.10160	14.1
99.04432	1.8
99.08096	49.4
100.57458	1.2
105.07037	6.8
107.04953	2.9
107.08593	31.8
109.02886	1.4
109.06473	1.5
109.10155	49.2
109.10925	2.6
111.04391	1.8
111.08118	1.3
111.11721	2.2
117.07026	1.8
119.08559	3.4
121.02821	1.4
121.06487	2.9
121.10142	29.5
123.11708	24.6
125.02425	1.4
125.09602	1.8
125.46087	1.1
127.03905	4.7
131.04901	1.6
131.08546	2.4
133.10130	2.1
135.04425	1.5
135.08083	2.5
135.11697	22.8
137.13260	3.4
139.07500	2.1
139.11157	1.8
139.14810	8.3
145.10071	3.3
149.02333	8.5
149.05954	1.3
149.09645	3.7
149.12045	2.6
149.13260	53.5
150.33788	1.1
159.11707	2.8
162.03114	2.2
163.03830	1.9
163.11212	4.8
163.14824	8.2
165.05467	3.1
167.07060	1.9
177.05530	2.2
177.09055	1.6
177.12724	3.3
177.16426	1.7
181.12199	1.7
187.14822	1.8
190.02567	1.7
193.04953	2.3
196.79588	1.2
200.17944	1.3
205.05051	1.3
205.12260	2.3
205.15994	3.3
205.19519	38.8
208.12489	1.4
223.02460	1.7
223.04155	1.7
223.05949	11.7
223.09514	2.4
223.13147	9.1
223.17320	8.7
223.20572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2055
Annotation	Hinesol
Peak:m/z	Relative Intensity
50.48036	0.9
53.03945	1.3
55.01876	1.4
55.05507	13.1
56.96560	1.9
57.07073	5.1
67.05170	1.9
67.05505	29.3
69.03419	1.3
69.07063	20.2
71.04961	1.4
79.05493	11.7
81.07055	55.2
83.04966	1.8
83.08616	17.2
85.06537	4.2
85.10208	1.1
91.05472	4.9
93.07040	34.2
95.04971	2.0
95.08605	84.5
97.06520	1.5
97.10170	8.6
99.08089	2.8
105.07032	6.6
107.08592	40.0
109.06532	1.9
109.10155	100.0
111.04447	1.1
111.08076	1.8
111.11719	2.3
119.08615	5.7
119.09415	1.1
121.02879	1.2
121.06551	1.1
121.10142	20.3
123.08084	1.5
123.11703	18.0
125.06029	1.6
125.09643	1.2
131.08557	1.9
133.10110	2.7
134.45549	1.2
134.99739	1.7
135.08035	2.0
135.11690	25.1
137.13240	1.4
145.10121	3.2
147.08084	1.4
149.02344	13.0
149.09666	1.9
149.12057	2.9
149.13257	52.5
155.01184	1.2
159.11702	3.3
161.09653	1.3
161.13290	1.1
162.03159	1.5
163.03876	1.3
163.07590	1.7
163.11169	3.1
163.14833	29.4
165.06981	2.1
165.09195	1.4
165.15025	1.6
165.16408	30.4
166.07784	1.9
167.08554	3.4
177.04318	4.2
177.09180	1.4
177.12767	2.8
177.16333	1.4
179.08527	2.5
180.09331	1.5
181.10089	3.7
187.11179	1.7
190.02570	1.2
192.06641	1.1
193.10158	5.1
194.10954	2.1
195.05373	5.7
195.11665	3.5
200.05849	1.9
205.12267	3.5
205.15991	2.1
205.19519	39.9
208.12404	5.0
209.13292	1.5
223.05910	6.8
223.11273	2.7
223.13382	1.7
223.14841	16.1
223.16972	5.0
223.20595	14.9
225.04285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Chromolaevanedione
Peak:m/z	Relative Intensity
53.03932	3.8
55.01868	8.2
55.05268	1.5
55.05510	23.2
57.03431	1.8
57.07067	5.0
59.04992	2.3
67.05513	13.5
67.67439	1.1
69.03419	5.4
69.07070	21.1
70.32541	1.3
71.05002	10.5
72.08910	1.3
79.05493	18.2
81.03414	5.3
81.07059	32.9
83.04984	44.9
83.08608	7.2
85.02885	3.0
85.06541	5.9
91.05488	13.5
93.07046	27.7
95.04972	15.8
95.08611	30.8
95.70631	1.4
97.02888	12.8
97.06533	100.0
99.04456	7.5
99.08076	3.0
103.05482	2.4
105.07028	24.6
107.04948	8.6
107.08594	39.3
109.06521	10.4
109.09583	1.6
109.10174	18.1
110.71580	1.1
111.08071	5.7
113.09628	3.3
117.07021	5.8
119.08579	15.9
121.06508	11.1
121.09313	2.1
121.10143	26.2
123.08076	19.3
123.11718	9.1
125.09593	1.5
127.03934	6.8
130.07738	2.0
131.08569	21.0
133.10092	4.3
135.08075	14.6
135.09015	2.1
135.11700	10.3
137.09642	2.8
143.08582	1.4
145.10126	68.8
147.07895	1.8
147.11694	24.7
149.02316	12.0
149.09615	25.3
149.13266	3.1
153.09108	2.2
153.12749	2.3
159.08150	1.3
159.11682	7.3
161.13255	6.0
162.03119	3.0
162.10417	3.1
163.03862	3.5
163.11183	19.3
163.14836	33.3
165.05530	1.9
165.06949	1.6
165.12758	99.1
167.07077	2.2
167.10654	5.9
177.05481	2.8
177.09027	2.1
177.12737	4.4
177.16446	7.0
181.12195	1.9
187.14821	28.4
190.02615	2.5
193.04942	3.2
193.10153	1.9
195.06496	1.6
205.12210	5.5
205.15892	70.4
208.03714	1.6
223.04144	2.7
223.05969	17.4
223.11331	2.1
223.13226	11.6
223.14984	2.9
223.16887	31.0
223.20461	2.5
225.04321	2.1
242.24072	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
55.05510	15.0
55.33891	2.0
63.23034	1.5
67.05485	4.9
67.34587	1.6
69.03418	5.1
69.07053	2.3
69.48576	15.7
70.67603	1.5
71.04980	5.2
79.05492	10.6
81.07037	5.7
83.04993	10.3
83.08617	59.3
85.02892	5.9
91.05469	7.3
93.07056	8.1
95.04940	1.9
95.08624	11.4
97.02884	25.3
97.06525	5.2
99.04443	6.0
105.07035	11.1
107.08593	100.0
109.06497	2.9
109.10167	7.1
119.08571	22.9
121.06511	4.2
121.10130	22.3
123.08029	9.0
125.05984	5.8
125.09629	74.9
128.09073	1.8
129.07005	2.5
131.08566	2.2
135.08075	3.7
135.11682	14.3
137.09616	6.6
139.07530	4.4
139.11156	2.2
145.10110	11.7
147.08061	13.8
149.02350	4.5
153.12720	7.3
159.11693	17.2
161.09645	1.9
163.09859	3.5
163.11159	34.6
164.08073	1.9
165.09131	15.1
170.89409	1.7
177.12724	7.6
181.12248	43.2
187.11150	5.5
205.12248	23.5
223.06000	4.1
223.11192	2.0
223.13303	29.5
223.16876	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	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03952	2.8
55.01856	4.1
55.05511	5.4
57.03442	1.5
57.21936	1.1
59.05014	1.5
61.60412	1.3
66.56766	1.1
67.05505	10.3
68.12259	1.1
69.03417	3.5
69.07057	9.0
71.04982	12.0
71.59546	1.6
74.50974	1.1
77.03914	1.7
79.05489	24.1
79.34206	1.1
81.03416	2.9
81.07054	10.4
83.04970	5.8
83.08611	7.6
85.02928	2.0
85.06534	2.1
89.05995	1.1
91.05480	17.0
93.07040	32.7
93.07626	1.7
95.04961	8.7
95.08589	9.4
97.02882	2.7
97.06543	3.4
99.08132	1.3
101.20372	1.1
103.05418	1.6
105.07028	18.2
107.04948	15.4
107.07867	1.9
107.08591	34.7
107.09295	2.3
109.06509	3.9
109.10146	5.7
111.08088	3.9
115.05498	1.7
116.06236	1.6
117.07013	10.7
119.08584	9.6
121.06507	12.9
121.10141	27.1
123.08073	3.4
123.11731	2.0
125.05970	2.6
125.09690	6.0
129.07016	4.8
130.07777	3.7
131.08562	100.0
131.31758	1.2
132.08931	1.5
133.10149	2.5
135.04427	4.2
135.08041	3.2
135.11687	8.4
137.05946	1.7
137.09648	2.1
139.07533	5.3
139.11168	1.2
143.08543	2.3
145.06467	2.7
145.10118	57.8
147.08035	5.5
147.11703	1.7
149.02344	11.1
149.05972	3.1
149.09618	40.5
149.13266	2.9
150.10057	1.1
153.09084	2.2
155.07021	1.6
159.11662	2.1
161.13148	1.8
162.03117	2.4
163.03917	4.0
163.11169	28.6
163.14838	2.1
165.09140	3.6
167.07047	6.0
167.08456	1.7
172.12315	1.1
173.09644	2.9
177.00604	1.2
177.05455	1.6
177.12743	3.5
179.10628	1.6
181.08627	3.0
181.10666	1.0
181.12273	3.8
187.11172	2.0
187.14966	2.2
190.02567	2.3
191.10696	12.1
195.08192	1.5
205.12233	15.5
205.15778	2.2
223.02290	1.8
223.04170	2.1
223.05872	7.7
223.09615	2.1
223.11356	1.9
223.13252	30.0
223.15089	1.8
223.16634	6.5
223.20595	3.5
225.04338	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
55.05501	2.8
55.93526	9.8
56.94096	1.3
56.94314	16.6
57.07070	2.8
65.03926	1.4
65.21696	1.4
65.46818	1.3
67.05503	3.4
68.94291	5.7
69.03416	5.6
69.07053	4.2
69.92827	8.4
70.95865	33.2
71.93003	5.9
72.93788	50.0
72.94198	2.8
74.95315	1.5
79.05469	2.4
81.07050	5.7
83.05006	2.1
85.06541	2.5
88.96903	21.8
90.94828	23.1
91.05482	2.8
93.07038	5.6
95.08611	6.8
97.06581	1.6
98.21460	3.0
105.06997	3.3
106.97945	5.7
107.08596	5.1
108.95857	7.9
109.10166	4.1
111.98479	39.7
113.96404	89.0
117.07024	1.4
119.08578	3.7
121.06516	1.6
121.10132	3.5
123.11715	2.5
125.09676	1.9
125.96123	1.5
129.99519	29.0
131.08554	2.8
131.97444	79.5
133.10185	2.3
134.97449	2.1
135.11673	3.0
138.00011	2.2
148.97720	3.1
149.02348	17.5
149.13303	2.9
149.98483	2.5
153.01105	12.1
154.99028	27.1
156.01051	4.5
158.97411	6.0
159.11693	2.2
162.03200	1.7
163.03880	2.9
163.11148	2.3
165.06978	3.7
166.07829	2.1
167.07118	1.5
167.08565	3.8
176.98471	39.6
177.12811	1.4
179.02730	2.5
179.08554	5.7
180.09322	1.6
181.10100	8.6
181.98990	42.1
184.32808	1.3
193.10139	11.7
194.10936	2.9
194.99579	2.0
195.11609	8.3
200.00055	100.0
205.12245	3.0
205.15900	1.7
208.12485	7.7
218.01106	1.6
223.01659	46.5
223.05954	7.9
223.14925	36.4
223.16948	5.1
223.20570	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	222.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
54.61300	0.4
55.01876	1.6
55.05511	1.1
56.05031	1.3
56.89233	0.4
56.96567	10.6
57.03436	2.8
57.07073	0.8
58.06610	0.5
60.04526	0.9
60.08165	100.0
60.95864	1.2
61.02928	4.7
61.08488	0.5
65.03944	0.4
67.05504	0.9
68.05051	0.4
69.03428	5.9
70.06596	1.3
70.85635	1.1
70.98151	0.8
71.01372	0.6
71.04993	1.2
71.06124	0.6
71.95264	0.6
72.08157	0.4
72.96037	0.4
73.02917	3.0
74.00647	0.8
74.06094	0.8
74.97617	0.4
77.00906	1.2
77.94454	0.4
79.05497	0.7
81.03423	3.3
81.07057	0.5
83.04982	0.9
84.04523	0.4
84.08146	1.5
84.96027	1.2
84.97737	0.4
85.02907	17.7
86.03221	0.4
86.09702	1.0
87.04465	2.1
88.99184	0.5
89.00813	0.4
91.03970	2.2
91.05476	3.9
95.01952	0.5
95.04963	0.8
95.06078	0.6
97.02899	6.5
98.03246	0.4
98.97590	6.5
99.04488	0.8
100.02488	2.7
101.02451	0.5
102.02250	0.5
102.96895	1.4
104.10743	3.0
105.11082	1.8
106.05060	0.4
109.02886	2.7
110.01335	0.4
110.06046	0.6
113.03539	0.9
115.02465	0.7
115.03929	0.8
116.98623	6.8
118.03542	2.1
119.01899	2.9
119.03578	0.7
119.04945	5.5
119.08630	0.4
120.97940	1.6
122.02759	2.3
122.07172	0.6
123.04467	0.5
126.02616	0.4
127.02469	0.5
127.03925	6.0
128.02312	0.7
128.98647	1.3
130.06520	0.6
131.00128	0.4
131.01907	1.4
133.03468	0.6
133.05017	0.6
134.99661	6.4
136.55005	0.7
137.02946	1.7
138.05531	0.8
138.08865	0.4
138.98978	1.5
140.00291	0.5
142.03510	0.6
143.00179	0.8
144.99840	2.0
145.03450	3.3
145.04959	3.5
146.99667	1.5
147.03218	1.0
147.04408	19.4
148.04810	1.2
149.01216	0.7
149.02333	0.8
150.00635	0.5
153.00714	1.5
156.97470	4.4
157.03548	0.5
157.97774	0.4
158.01283	1.9
158.99707	1.5
159.01344	0.6
159.06364	0.5
162.01813	0.5
162.03073	0.5
162.99110	0.7
163.00885	0.5
163.04543	0.7
165.00731	0.8
167.07043	0.5
168.01497	3.1
168.05095	0.6
169.03450	1.7
170.01266	0.5
171.05118	0.8
173.01247	0.7
173.02818	0.4
174.98546	7.8
175.98650	0.5
176.02196	0.8
177.00719	4.8
177.02426	2.4
179.98943	0.6
180.01668	0.5
181.00133	1.1
182.02951	0.6
186.02525	0.6
186.99170	1.3
187.02864	0.6
187.04510	3.4
191.02272	0.5
193.00082	0.6
194.16075	0.4
195.03656	1.0
197.02971	0.6
198.00034	0.5
198.96886	0.5
198.98755	2.4
199.01122	0.8
199.02765	1.0
199.05943	1.0
199.79410	0.4
200.02357	0.9
200.04025	5.9
201.00700	0.7
203.03984	0.6
205.03883	0.5
215.04018	1.7
216.99953	8.7
217.03717	0.8
217.07359	0.6
217.09395	0.6
218.05186	0.7
219.01762	1.0
222.13361	32.8
223.05780	1.3
223.11143	0.5
223.13603	0.7
225.04305	1.5
233.05086	6.4
234.05258	1.0
235.01120	2.0
237.02913	0.7
240.01532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05515	62.6
58.98264	0.5
58.99592	3.3
61.61184	0.4
68.95685	0.5
70.19509	1.9
76.02229	1.3
83.08624	100.0
86.99053	5.0
88.03991	0.5
101.09661	14.0
105.00109	7.4
122.02724	1.9
130.06512	0.7
140.10635	0.5
147.04402	1.3
159.08385	1.5
176.07111	1.2
187.07933	0.5
198.01717	0.5
198.96858	0.5
205.03497	0.5
205.08949	21.0
216.97926	1.5
222.11554	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01898	0.6
57.03448	0.7
57.99464	0.4
60.08165	100.0
61.02926	2.4
61.08487	1.7
69.03429	3.9
71.05006	0.5
71.49236	0.5
73.02911	1.7
81.03434	1.9
85.02906	15.3
87.04472	1.3
90.02264	0.4
91.03963	1.1
97.02898	4.0
99.04457	0.9
104.10747	55.8
105.10459	3.2
105.11075	52.6
109.02872	1.3
117.73824	0.4
119.91702	0.4
123.86253	0.4
127.03928	3.4
137.55324	0.3
145.04947	3.5
161.02684	0.4
170.32217	0.4
201.88809	0.5
222.13368	33.9
222.98679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0763
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
55.05506	0.6
56.96566	3.2
57.07078	0.6
59.06129	0.6
60.08161	5.0
60.80610	0.6
61.78317	0.6
67.05495	1.2
69.03436	1.7
69.07069	0.8
70.06591	1.5
70.84042	1.9
73.02940	0.6
74.06048	0.6
79.05494	1.3
79.44259	0.6
81.07059	1.4
83.04981	1.1
83.06097	0.6
85.02905	2.2
87.89291	0.5
91.05479	2.4
93.07026	1.5
93.35625	0.6
95.04956	2.5
95.08604	2.1
97.02879	1.8
98.97586	6.5
102.33911	0.7
103.05477	2.2
104.10744	0.8
104.12563	0.6
105.07039	1.3
105.11047	0.7
106.06565	0.9
106.07298	0.7
107.08578	0.9
109.06507	0.7
109.10142	0.7
110.06007	0.6
115.05450	8.2
115.22429	0.6
116.98633	5.5
117.07029	0.9
118.06534	4.6
119.04899	1.3
119.08566	1.2
120.08098	3.4
120.08913	1.2
121.06475	1.3
121.10165	0.8
127.03867	0.6
130.06526	100.0
131.04924	3.7
131.06857	0.9
132.04456	1.7
132.08105	1.4
133.06500	16.3
133.10185	1.0
134.10435	0.8
134.99677	5.0
140.08228	0.7
143.06009	1.3
146.99651	0.8
147.04407	4.7
147.11670	0.8
148.07568	14.5
148.08704	1.2
151.07611	0.8
153.00755	0.8
158.06017	86.7
158.99666	2.2
159.06342	1.4
162.05444	1.0
176.07045	8.8
177.00700	3.9
186.05525	8.7
192.07262	0.7
198.96881	0.6
204.06557	19.2
207.13750	0.7
215.04005	0.8
216.97812	0.9
222.07605	7.9
222.11276	1.3
222.13416	3.4
222.15378	0.8
222.19345	0.6
223.06055	0.9
225.04391	0.9
233.05011	2.0
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
55.05507	10.6
56.96548	6.5
57.07069	8.0
62.05459	1.9
67.05501	15.3
69.07053	16.3
70.56791	6.3
71.05003	11.2
71.08572	2.4
79.05479	7.2
81.07053	43.1
83.08614	8.4
85.06554	3.8
91.05469	9.9
93.07040	22.0
95.08607	53.0
97.06532	4.6
97.10130	4.8
98.97589	6.1
104.27280	2.6
105.07034	35.5
107.08598	44.3
109.06543	3.6
109.10159	43.0
111.08092	6.6
116.98611	4.2
117.44484	1.9
119.08584	32.2
121.10143	29.1
123.11715	18.2
125.09625	4.1
126.41319	2.5
133.10146	19.0
135.11664	11.8
137.05997	3.0
137.13240	6.7
145.10146	2.7
147.11693	47.6
149.13237	13.0
151.11160	8.1
157.01772	3.0
158.01280	4.2
161.13263	20.9
163.14828	26.0
165.12808	10.6
175.02805	18.7
175.14816	6.8
177.16333	14.7
192.95142	2.3
193.03828	11.3
198.04332	4.3
203.17952	69.2
221.19012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03928	2.2
54.29583	1.1
55.01870	2.2
55.05514	11.4
56.96572	1.6
57.07085	6.8
67.05510	11.0
67.06993	1.2
69.03429	2.4
69.07069	14.0
71.05000	21.1
71.60254	2.7
73.06586	1.3
79.05498	21.5
81.07064	87.4
83.04995	3.0
83.08620	5.3
85.06544	2.7
86.64079	1.2
90.54410	1.2
91.05486	15.4
93.07053	42.0
95.04982	5.1
95.08611	32.1
95.09171	2.7
97.02874	1.9
97.06536	2.9
97.10184	3.1
99.08102	5.5
103.05492	1.6
105.06409	1.2
105.07035	37.3
107.08603	63.0
109.06538	3.6
109.10165	22.0
111.08065	3.2
112.40378	1.3
116.98607	1.3
117.07059	3.6
118.06541	1.5
119.08594	58.7
121.06496	2.5
121.10158	10.5
123.08070	4.0
123.11702	15.3
125.09693	3.6
127.11234	9.5
128.06244	1.4
131.04970	5.5
131.08658	2.8
133.06465	2.7
133.09229	2.7
133.10149	27.3
135.08130	2.4
135.11696	100.0
137.05952	3.1
137.09637	3.5
137.13293	2.6
139.11160	2.0
143.08578	1.4
145.10136	3.8
147.04398	1.5
147.08044	4.4
147.11697	28.8
149.13240	9.5
151.07645	1.4
151.11217	2.5
153.12846	2.0
157.10120	1.9
159.11725	2.9
161.05998	3.0
161.09669	4.5
161.13263	17.8
163.09373	1.4
163.11278	1.9
163.14853	6.6
165.09183	2.0
165.12741	1.5
174.98552	1.5
175.07581	2.4
175.14839	6.4
177.09114	3.3
177.11176	1.3
177.12834	1.3
177.14703	9.5
177.16289	2.9
179.10735	2.2
185.13333	2.3
198.00162	1.8
203.10628	1.6
203.14395	4.7
203.17987	38.9
203.19467	1.5
204.70059	1.4
206.16078	1.6
221.04416	2.0
221.08105	4.3
221.11815	4.2
221.15375	11.9
221.17331	35.5
221.19070	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03951	2.2
54.55469	0.8
55.05518	5.6
56.89420	1.0
57.03432	1.1
57.07070	3.1
59.04989	1.0
59.17781	0.8
65.03958	1.0
67.05507	11.2
69.03439	1.7
69.07070	7.5
70.37918	3.3
70.38290	1.6
71.04995	9.9
79.05500	14.7
81.07062	51.9
83.04981	2.7
83.08619	4.5
85.06541	3.7
88.14417	0.9
91.05474	12.5
93.07050	24.2
93.23940	0.8
94.31156	0.8
95.04977	3.5
95.08612	24.1
97.02889	1.2
97.06512	2.9
97.10173	1.1
99.04440	1.7
99.08099	3.4
103.05482	1.9
105.07042	25.4
107.04957	3.1
107.08602	36.4
109.06512	3.9
109.10165	17.7
111.08086	3.6
113.09666	1.1
115.05451	3.1
117.07044	6.9
119.04948	1.7
119.08594	32.7
121.02898	1.3
121.06491	3.2
121.10150	11.5
123.08066	3.4
123.11732	9.8
125.09651	1.6
127.11221	4.4
128.06245	2.1
129.07002	1.9
131.04964	2.1
131.08582	2.5
133.06494	4.2
133.09229	1.8
133.10133	18.9
135.08110	1.3
135.11705	51.4
137.05983	3.2
137.09642	3.0
137.13249	1.8
139.11238	1.2
143.08545	3.1
145.06482	1.9
145.10144	2.7
147.04407	1.6
147.08046	3.4
147.11694	19.7
149.05971	2.9
149.13283	5.6
151.07607	2.2
151.11195	3.0
159.11716	3.9
159.18217	0.9
160.05145	1.2
161.06010	5.2
161.09636	4.4
161.13275	17.8
161.52234	1.2
162.06787	4.8
163.07593	1.7
163.11227	2.1
163.14851	4.0
165.09123	1.4
165.12811	1.6
174.95810	1.8
174.98566	3.1
175.07579	5.7
175.11185	2.6
175.14841	7.0
177.09120	100.0
177.16330	2.0
178.09462	2.7
179.10703	1.4
179.14288	1.0
179.99081	2.0
185.13286	1.7
191.10663	1.3
192.95767	1.0
192.96840	1.2
193.08624	1.7
198.00140	2.3
203.03432	3.5
203.06985	1.4
203.10783	2.2
203.14389	4.9
203.17975	25.6
206.16258	1.4
221.02353	1.0
221.04482	3.7
221.07986	4.8
221.11691	9.4
221.15451	12.7
221.19086	24.8
222.11288	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
52.65237	1.4
55.05512	8.6
56.96558	6.7
57.03421	2.8
57.07074	6.9
59.04988	2.6
67.05499	16.0
69.07064	19.1
69.87959	2.8
69.88379	5.7
71.04983	4.3
78.78601	1.5
79.05495	14.0
81.07057	44.6
83.04978	2.2
83.08613	9.0
83.16664	1.3
85.06526	5.7
91.05478	19.2
93.07043	32.1
95.04967	2.4
95.08606	64.4
97.06525	2.7
97.10166	4.2
98.97555	3.5
99.08073	1.9
103.70648	1.6
104.10735	3.4
105.07028	46.5
107.08595	40.5
109.06517	2.7
109.10155	48.2
109.56721	1.3
111.08070	3.9
111.11698	1.8
111.56807	1.3
113.47749	1.9
116.98632	6.0
119.08582	45.0
121.10143	28.6
123.08092	3.9
123.11707	20.3
125.09655	3.5
127.11228	1.6
129.21158	1.4
131.08536	1.7
133.10130	48.6
134.99667	4.4
135.07967	1.9
135.11687	10.5
137.09613	4.2
137.13246	5.3
145.10104	1.7
147.11684	57.0
149.13260	11.9
150.19975	1.4
151.11191	6.4
155.08994	1.6
158.01239	4.0
161.13269	24.5
163.13554	2.7
163.14830	24.2
165.12762	6.4
175.02771	11.3
175.14809	12.3
177.16371	19.3
193.03804	7.0
193.19455	2.0
198.04416	3.2
203.17953	100.0
221.15457	3.1
221.19009	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05511	6.0
56.96556	1.7
57.07071	4.7
59.05005	1.2
67.05505	13.3
69.07074	9.3
70.58290	1.0
71.04993	14.4
79.05495	12.4
81.07063	32.2
83.08630	5.8
84.98179	0.9
85.02905	1.9
85.06534	1.9
91.05479	10.5
93.06480	1.3
93.07046	20.4
95.04977	2.3
95.08611	47.3
97.06520	2.4
97.10146	1.9
105.07036	27.7
107.04906	1.3
107.08598	46.6
109.06561	1.5
109.10159	32.0
111.08064	2.4
112.31133	1.1
116.98647	1.3
117.07020	1.6
119.08588	28.8
121.06467	1.6
121.10152	23.6
123.08080	2.6
123.11697	9.5
125.09600	2.0
131.08597	1.3
133.06461	2.5
133.10139	23.6
134.99715	1.9
135.11711	10.3
137.09566	1.9
137.13297	2.1
141.95697	1.2
143.08571	1.2
145.10146	3.2
147.08044	1.6
147.11688	35.8
149.11977	1.1
149.13208	5.8
151.11136	2.3
159.11658	1.6
161.05975	2.4
161.09578	1.4
161.13266	16.4
163.14830	21.1
165.12776	3.3
175.14853	8.3
177.16391	7.9
183.39870	1.1
185.13248	1.7
193.15863	2.3
203.10643	1.4
203.14372	3.6
203.17964	100.0
204.18263	1.8
221.06192	2.3
221.08035	1.6
221.11780	1.6
221.15631	8.7
221.19025	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.64283	2.5
53.33928	2.3
55.05506	14.7
55.44812	2.8
57.07071	7.6
59.78301	2.4
67.05502	21.2
69.07064	14.1
70.71065	8.8
71.04987	27.5
79.05489	26.8
81.07057	94.7
83.04967	3.0
83.08642	4.0
85.06509	4.1
91.05466	22.2
93.07037	50.3
95.04961	6.4
95.08605	41.0
97.06501	4.5
97.10136	3.2
98.97608	4.3
99.08086	7.1
105.07029	55.4
107.08588	63.0
109.06503	7.8
109.10157	34.9
111.08070	5.6
113.09607	3.3
114.07257	3.4
115.05505	2.6
116.98602	5.0
117.07066	4.0
119.07785	4.9
119.08575	58.0
119.09369	2.1
121.06452	4.3
121.10143	24.8
121.10941	3.7
123.08082	13.1
123.11720	15.4
125.09621	3.4
127.11178	5.6
131.04933	5.4
131.08583	4.0
133.06410	3.3
133.10115	33.6
134.99652	2.8
135.11690	100.0
137.09579	6.7
137.13315	3.2
145.10123	2.7
147.08020	4.5
147.10658	2.9
147.11700	35.5
149.13280	12.9
151.11133	3.4
157.10135	2.9
159.11807	2.6
161.05960	4.2
161.09624	7.2
161.13264	24.9
163.14809	8.2
175.07538	3.9
175.11208	3.4
175.14825	9.1
177.09103	3.9
177.12759	9.5
177.16382	5.2
193.08621	3.1
193.15883	51.1
203.14284	9.0
203.17984	55.2
221.04384	3.3
221.07938	4.5
221.09930	2.9
221.11755	8.1
221.13554	1.9
221.15424	33.8
221.19014	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
67.05491	33.5
69.07075	30.0
71.58527	34.7
73.96530	19.4
81.07039	63.5
91.05466	35.1
95.05994	20.6
95.08608	83.3
98.07106	24.6
104.10735	83.8
105.07018	66.3
107.08572	41.6
109.10165	49.3
112.08730	42.4
119.08535	57.6
121.06426	21.0
121.10134	45.7
121.40672	18.3
133.10110	74.5
137.08214	23.0
147.11674	83.4
161.08308	38.8
161.09628	30.9
161.13321	52.0
164.08398	20.9
168.73912	19.6
175.14780	46.6
179.12926	24.1
203.17917	77.8
221.04552	22.4
221.15306	100.0
221.18945	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03944	2.4
55.01859	3.9
55.05514	11.7
57.07071	4.6
59.05007	3.9
67.05502	13.4
69.07066	14.3
69.63598	14.9
69.63986	4.9
71.04987	12.2
71.94924	2.0
79.05499	21.6
81.07060	71.1
82.07380	2.1
83.04955	3.5
83.08611	7.9
85.06503	2.3
91.05473	17.0
93.07038	42.3
95.04939	5.7
95.08607	33.4
97.06529	5.3
99.08109	4.9
101.00852	2.2
105.07033	28.9
105.85551	1.7
107.08600	56.7
109.06495	6.0
109.10161	22.5
116.48509	1.8
119.01933	5.0
119.08585	52.6
121.10144	13.7
123.08030	5.5
123.11703	17.4
127.11202	10.6
131.08594	3.5
133.06540	2.7
133.10129	29.5
133.54182	2.0
135.08047	3.0
135.11696	100.0
137.05984	4.2
137.09612	4.9
137.13191	2.8
143.01880	2.9
145.10204	3.1
145.25352	2.2
147.04350	2.3
147.11676	24.9
149.13245	5.1
151.11226	3.3
159.11717	3.1
161.02972	7.6
161.05975	5.5
161.09653	3.3
161.13237	20.3
163.14815	2.3
165.09061	2.3
165.12708	3.1
175.11197	2.2
175.14864	7.2
177.09087	2.8
185.13260	2.8
192.04138	10.2
193.08629	4.5
193.15947	10.4
203.06911	2.4
203.10770	2.7
203.14331	4.7
203.17973	31.4
220.44962	2.2
221.05971	3.0
221.08095	53.0
221.11685	5.3
221.15404	17.1
221.19009	37.4
229.01796	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.20905	1.6
55.05507	16.6
56.96564	6.7
57.07061	7.7
67.05498	23.8
67.45361	1.9
69.07065	22.8
70.87708	6.6
71.04994	9.8
76.31503	1.6
77.62599	2.2
79.05112	2.7
79.05495	23.8
81.07054	64.8
81.42113	1.9
83.04969	5.8
83.08611	7.3
85.06544	10.9
85.56277	1.7
91.05463	14.7
93.07043	36.9
95.04952	2.2
95.08602	70.0
97.06502	2.7
97.10177	3.4
98.97536	2.1
99.08078	4.1
104.10753	12.1
105.06313	2.4
105.07027	71.4
107.08591	100.0
109.06486	4.1
109.10149	52.1
111.08080	2.7
113.09655	2.8
119.08578	38.8
121.10139	38.2
122.34605	2.0
123.11716	22.7
125.08681	2.1
125.09624	4.7
133.10127	28.6
135.11694	14.6
137.13245	3.8
137.57028	2.0
139.11174	2.6
145.10077	4.1
147.11684	80.5
149.13231	4.5
151.11191	3.0
151.14809	2.6
159.11731	3.1
161.13240	29.6
163.14825	61.5
165.12726	5.0
175.02783	11.9
175.14792	7.6
177.16397	3.4
193.03864	10.7
198.04408	4.0
203.17958	71.5
208.81610	2.3
216.05397	2.5
221.15408	4.9
221.19034	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.51032	2.6
55.05498	10.5
57.03429	3.3
57.07072	2.8
67.05511	17.6
69.07054	20.0
69.32820	9.1
69.33248	17.8
71.05000	22.1
77.41279	2.3
79.05486	18.5
81.07059	100.0
83.04984	2.8
83.08601	8.1
85.06541	4.5
87.08040	2.7
88.64626	2.4
89.06502	2.6
91.05486	20.8
93.07039	40.0
95.04941	5.3
95.08607	38.7
97.06494	3.4
97.10168	3.0
98.97562	3.7
99.08112	4.1
103.05488	3.6
105.07027	50.0
107.08595	65.8
109.06519	3.2
109.10155	39.2
111.02897	2.3
111.08118	6.2
113.09663	2.4
115.05386	2.8
115.53631	2.8
116.98595	3.8
117.07047	3.6
119.08574	64.2
121.06499	2.9
121.10150	22.1
123.08070	6.6
123.11710	19.9
125.09622	4.0
127.11201	7.9
129.06985	3.2
133.06488	5.5
133.10147	34.0
134.99718	3.6
135.10681	5.5
135.11687	91.5
137.09610	5.0
137.13261	3.3
147.07996	4.7
147.11688	34.6
149.09549	4.5
149.13240	13.2
151.11282	5.1
160.99722	2.3
161.05943	6.1
161.09604	4.3
161.13268	25.5
163.14783	11.7
165.12680	3.2
175.07515	2.8
175.14790	5.8
177.16286	3.7
178.59608	2.2
179.14186	2.9
185.13286	2.7
193.08614	4.8
203.07097	2.9
203.10666	2.7
203.14311	6.4
203.17963	50.7
210.70638	2.8
221.08072	6.7
221.11717	3.9
221.15520	15.3
221.19012	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03938	1.2
54.16927	0.8
55.05514	7.7
56.96568	0.8
57.07053	2.9
67.05503	8.7
69.06713	1.2
69.07066	10.1
69.53516	7.1
71.04996	15.1
73.06567	0.8
75.98990	0.9
79.05061	1.4
79.05495	16.3
81.07058	73.9
83.05000	1.7
83.08620	3.3
85.06553	1.8
91.05483	9.1
93.07047	32.1
95.04966	2.7
95.08612	24.8
97.06490	1.4
97.10130	1.0
98.97527	1.2
99.08102	4.2
105.07027	25.5
107.04878	0.9
107.08597	57.8
109.06499	3.1
109.10157	17.8
111.08083	3.0
111.11745	1.2
113.09641	1.0
115.05465	1.5
116.36134	1.0
117.07001	1.8
119.08580	37.3
121.06451	1.4
121.10145	9.3
123.08080	1.4
123.11697	16.1
125.09621	1.4
127.11218	6.9
129.07013	1.6
131.04881	1.2
131.08572	1.8
133.06482	1.5
133.10127	22.0
135.11693	100.0
136.12035	1.1
137.09619	1.4
137.13229	1.5
139.11156	1.2
145.10124	2.9
147.08031	2.1
147.10526	1.1
147.11681	18.2
149.13255	5.4
151.11217	2.7
159.11739	1.1
161.05998	5.6
161.09682	1.6
161.13260	12.6
163.14818	3.3
165.12732	2.0
175.14851	3.5
177.16458	1.5
179.14313	1.0
193.08611	1.6
203.17961	37.0
209.30717	0.8
211.94949	0.8
221.04367	1.1
221.08008	4.4
221.11781	1.7
221.15744	4.2
221.19022	36.1
241.92601	0.8
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
53.03944	3.5
55.01851	2.5
55.05515	13.6
56.96557	4.8
57.07066	6.9
67.05501	15.3
69.03421	4.2
69.07069	21.1
69.56772	16.8
71.04996	17.5
73.31882	2.3
79.05496	24.5
81.07058	97.8
83.04983	5.2
83.08627	7.0
85.06539	3.9
91.05480	21.9
93.06470	3.3
93.07046	49.6
95.04975	6.3
95.08607	38.1
97.51208	1.9
98.97556	2.0
99.08096	6.3
103.91708	2.0
105.07030	44.8
106.01772	2.3
107.07858	4.1
107.08594	68.8
109.06522	6.2
109.10152	29.4
111.04423	2.6
111.08089	3.3
115.05446	2.9
116.98625	4.0
119.07720	2.0
119.08581	58.0
121.06508	2.7
121.10138	16.2
123.08080	7.8
123.11707	23.2
125.09658	2.7
127.11143	10.3
129.07022	4.1
131.04938	3.8
131.08586	5.1
133.06490	7.8
133.10130	31.2
135.08076	2.8
135.11690	100.0
137.05975	5.2
137.09622	4.9
137.87494	1.9
143.08551	2.7
145.10146	4.3
147.08075	4.3
147.11696	24.2
149.13257	6.4
151.03915	7.0
151.07509	4.2
151.11232	3.6
158.01279	3.0
159.11659	3.1
161.05980	6.0
161.09673	5.2
161.13278	22.4
162.06921	2.4
163.11174	2.8
163.14897	4.5
165.05453	3.3
165.12775	2.8
175.02818	3.8
175.07510	5.8
175.14806	7.9
177.09129	6.2
177.16415	2.9
191.06944	2.4
193.08522	2.9
193.15907	13.0
203.10674	3.0
203.14319	7.8
203.17970	39.6
206.03479	2.0
206.10889	3.0
221.06100	3.1
221.08070	7.9
221.11777	6.9
221.15373	21.1
221.19029	42.3
221.22159	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.39145	1.4
53.03936	2.0
55.05510	11.8
56.96566	24.6
57.03420	3.7
57.07074	14.5
59.04996	4.0
65.03937	2.3
67.05500	25.1
68.85941	1.9
69.03426	2.9
69.07066	20.2
69.63155	8.9
69.63560	2.7
71.04990	5.5
77.83292	1.6
79.05496	19.2
81.03425	4.1
81.07056	57.1
83.04975	5.8
83.08206	1.8
83.08627	9.5
85.02905	2.3
85.06528	9.5
91.05473	24.2
93.07040	43.2
95.04966	6.6
95.08606	59.7
97.02883	2.0
97.06541	6.8
97.10204	3.9
98.97573	13.2
104.10767	4.8
105.07027	84.4
107.04975	1.8
107.08591	57.2
109.06533	8.4
109.09454	3.3
109.10156	40.9
111.04399	3.0
111.08092	7.2
111.11685	1.5
116.98633	15.8
117.07048	2.8
119.08581	67.0
121.06510	2.9
121.10139	44.0
123.08082	7.7
123.11692	21.9
125.09624	4.7
129.06978	1.6
131.08562	4.0
133.10138	40.0
133.11092	3.0
134.99661	22.0
135.08076	4.0
135.11681	18.8
135.69482	1.7
137.06049	3.0
137.09622	11.7
137.13321	3.9
139.11168	3.9
140.00220	2.4
143.08572	3.2
145.10149	8.0
147.04370	2.1
147.08086	4.0
147.11684	96.2
149.02441	1.8
149.13284	13.5
150.13620	1.9
151.07619	2.7
151.11197	7.6
153.00740	7.4
157.10121	2.7
158.01250	13.4
159.11694	6.1
160.05095	2.7
160.12576	2.0
161.09608	8.0
161.13269	31.1
163.11159	3.0
163.14832	22.2
165.09213	2.3
165.12788	11.7
170.10953	1.7
175.02789	23.2
175.04163	2.2
175.07516	1.8
175.11237	3.8
175.14818	17.2
176.02310	3.0
177.09081	3.1
177.12885	1.9
177.16400	6.1
177.60054	2.3
177.82385	2.0
179.10696	3.6
179.14360	2.2
181.02853	1.9
185.13278	3.1
189.09142	3.1
193.03825	16.2
193.10197	2.4
198.04402	7.3
203.10579	2.5
203.14406	8.4
203.17960	100.0
205.14894	2.5
206.10982	2.4
206.16295	3.2
209.11119	2.7
209.81790	1.6
221.04440	4.0
221.08116	5.3
221.11783	7.2
221.13408	4.9
221.15439	21.2
221.19032	67.7
222.19318	1.9
238.69040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01870	0.7
55.05508	5.7
56.96550	0.8
57.07063	1.3
67.05510	3.5
69.07063	3.5
69.63470	1.5
69.63881	3.3
71.04996	3.7
73.06549	3.6
79.05482	4.1
81.07059	9.5
83.08605	2.0
85.06556	0.8
91.05487	4.9
92.27437	0.6
93.06476	0.8
93.07046	11.8
95.04977	1.4
95.08615	8.8
98.97550	0.9
105.07030	30.0
107.08598	12.8
109.06506	0.7
109.10143	7.1
111.08069	1.0
117.07012	0.7
119.08585	22.2
121.10141	6.9
123.08112	1.2
123.11683	2.4
131.08565	1.5
133.10127	9.4
135.11702	3.0
137.13295	0.7
145.10097	1.4
147.11688	100.0
148.12091	0.7
149.13263	28.9
151.11186	1.7
159.11751	0.6
161.09805	0.7
161.13243	4.8
163.14851	1.7
165.12784	2.0
175.02829	0.8
175.14771	1.4
177.16322	0.8
198.83838	0.7
200.72426	0.6
203.17967	18.8
221.11644	0.9
221.15559	1.1
221.19005	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	2.5
55.05515	9.7
56.05931	1.7
56.96289	2.5
56.96566	36.0
57.07079	7.9
67.05510	18.2
69.07072	30.7
71.04998	5.2
71.60403	2.8
79.05506	17.5
80.52853	1.4
81.07059	36.9
83.08624	7.5
85.06551	2.7
85.39260	1.7
91.05482	19.6
93.07047	51.3
93.07628	2.7
95.04965	3.3
95.08614	48.2
97.06537	5.9
98.97606	3.2
104.10736	10.2
105.07038	49.2
107.08601	100.0
109.06545	5.7
109.10168	21.2
111.08084	3.5
116.30997	1.7
116.98631	6.7
117.07063	3.5
119.08585	35.7
121.10149	26.7
123.08071	2.4
123.11733	8.4
125.09612	2.3
131.08524	3.3
133.10141	24.4
134.99644	4.0
135.11746	10.1
135.63333	1.6
137.09633	2.4
139.00635	1.9
139.11217	2.9
147.08011	3.4
147.11700	73.0
149.13274	5.2
151.11195	4.3
157.01733	6.0
158.01262	2.3
161.09618	3.4
161.13258	29.4
163.14828	68.0
165.12740	5.2
175.02795	58.7
175.11160	2.9
175.14854	6.7
177.16354	3.1
179.08403	1.9
181.02794	1.7
186.55222	1.6
191.08562	1.8
193.03862	43.6
198.04366	13.5
203.10713	4.1
203.14383	2.5
203.17972	68.2
206.10974	2.5
216.05438	8.3
221.11554	3.4
221.13281	5.6
221.15157	8.0
221.19051	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.44910	1.8
53.03941	3.0
55.01867	2.1
55.05515	21.8
56.96549	7.1
57.03429	3.5
57.07077	9.9
59.05010	2.0
65.03941	1.8
67.05506	35.5
69.03416	6.9
69.07070	33.7
69.25471	3.8
69.25875	19.3
71.05003	9.2
71.08659	2.1
76.84705	1.9
79.05490	24.2
81.03402	6.7
81.07057	84.3
83.04980	10.9
83.08630	12.1
85.02906	10.7
85.06537	8.6
91.05473	29.1
92.86076	1.9
93.07050	43.9
95.04976	11.2
95.08607	100.0
97.02879	1.9
97.06519	5.6
97.10162	6.7
98.97556	2.0
99.08083	3.2
104.10757	10.8
105.07034	71.0
107.04955	3.9
107.08594	58.4
109.06504	6.9
109.10155	57.5
111.04448	11.8
111.08071	6.3
111.11712	6.8
115.05501	2.5
117.07022	5.5
119.08582	80.0
121.06464	2.9
121.10149	49.6
123.04427	2.1
123.08053	7.0
123.11713	25.5
125.09618	4.3
128.06200	2.1
129.07018	3.5
131.08571	3.6
132.05746	2.0
133.06499	7.5
133.10130	53.1
134.99612	3.1
135.08084	2.4
135.11687	23.6
137.05997	3.5
137.09583	4.0
137.13231	5.5
143.08556	7.4
145.10129	11.4
147.08075	7.7
147.11690	74.0
149.13272	15.3
151.03963	3.0
151.05367	1.6
151.07535	5.0
151.11185	8.6
157.10170	2.3
159.11702	8.2
161.05917	5.7
161.09628	9.3
161.13261	34.7
163.03856	3.1
163.11223	5.1
163.14845	21.8
165.09126	3.8
165.12743	8.2
175.02760	4.8
175.07515	5.6
175.11205	3.5
175.14844	27.7
177.12845	2.6
177.16374	10.5
179.07037	4.7
182.83698	2.0
185.13197	9.8
189.10420	2.7
193.03784	5.3
193.08698	2.8
193.15909	2.6
193.19490	1.9
198.10828	2.6
203.07074	3.2
203.10564	2.6
203.14330	15.4
203.17978	79.2
206.16205	3.7
219.59184	1.9
220.18181	2.0
221.04214	2.2
221.08040	14.2
221.11667	3.4
221.13367	4.6
221.15479	31.5
221.19016	89.2
244.89890	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05502	9.7
56.96572	4.5
57.03439	2.9
57.07068	6.9
67.05500	22.9
67.78546	1.9
69.07066	23.7
70.07894	11.1
71.04990	6.7
79.05482	12.2
81.03429	2.4
81.07054	48.1
83.05014	2.5
83.08624	8.8
85.06534	7.7
91.05477	18.6
93.07042	36.2
95.04972	3.5
95.08605	66.7
97.06528	2.8
97.10147	5.4
98.97584	5.1
105.07024	47.5
107.08595	43.3
109.06534	4.6
109.10155	45.9
111.08077	4.9
116.98598	6.2
119.08582	60.1
121.10134	27.2
123.08063	5.7
123.11726	17.0
125.09627	3.1
127.07528	2.4
127.11163	4.6
131.08574	3.7
133.10129	57.9
134.99683	5.6
135.11665	12.4
137.09628	3.7
137.13258	4.0
145.10118	5.2
147.08023	2.9
147.11697	61.6
147.12801	4.8
149.13226	16.1
151.11156	3.8
158.01292	4.3
159.11723	3.5
161.09636	3.4
161.13260	27.0
163.14848	23.7
164.80177	2.4
165.12791	6.0
174.24367	2.2
175.11049	2.2
175.14807	16.5
176.08121	2.3
177.16388	16.5
185.13268	2.3
200.11348	3.1
203.14330	6.7
203.17949	100.0
221.08134	5.7
221.15694	11.8
221.19023	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	2.3
55.01869	2.3
55.05512	18.2
56.96563	24.2
57.07085	9.7
59.05007	2.6
67.05502	33.7
69.07069	23.5
70.06637	7.1
71.04989	5.2
79.05485	17.6
81.07056	64.5
83.04958	5.7
83.08627	9.9
84.74078	2.0
85.06531	7.9
91.05472	24.8
93.07040	38.3
95.04947	2.4
95.08607	66.1
97.06507	4.5
97.10155	3.3
98.97582	7.1
104.10745	4.2
105.07030	68.1
107.07867	2.8
107.08591	49.6
109.06516	7.3
109.10158	57.5
111.08076	5.4
113.09637	2.2
116.98646	10.7
119.08576	57.6
121.10139	37.7
123.08069	5.8
123.11712	25.1
125.09652	2.6
125.86977	1.8
131.08591	3.6
133.10139	37.0
134.99648	11.1
135.11674	15.5
137.05995	2.5
137.09599	7.7
137.13261	6.6
139.11189	3.3
145.10120	5.3
147.11684	85.5
149.13240	17.8
151.11140	9.2
153.00722	3.4
157.01729	6.7
158.01231	6.8
159.11685	4.5
160.12569	1.9
161.09602	3.5
161.13272	25.1
163.14789	13.9
165.12726	13.4
175.02776	61.1
175.11250	2.1
175.14824	9.7
176.02203	2.0
177.16422	7.6
193.03830	38.8
198.04364	8.6
198.06062	2.1
203.10669	2.1
203.14394	5.4
203.17950	100.0
216.05426	4.0
221.13414	4.1
221.15422	8.8
221.19016	90.5
223.54393	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.71125	1.0
55.05505	9.0
56.96543	1.7
57.07062	4.7
59.04993	1.5
67.05504	13.3
69.03430	1.4
69.07073	14.7
69.81407	6.2
71.04983	5.2
79.05495	9.6
80.13242	1.0
81.07051	35.3
83.04945	2.8
83.08607	5.8
85.06530	2.2
91.05485	10.7
93.07036	22.9
95.08602	52.5
97.06541	3.6
97.10154	2.6
104.10738	3.9
105.07028	38.6
107.07858	2.3
107.08590	40.7
109.06534	2.0
109.10152	41.1
111.08072	3.8
119.08575	71.4
121.10130	22.9
123.08044	2.2
123.11708	14.6
125.09584	1.4
131.08580	1.6
133.10133	31.4
134.99678	1.3
135.11678	8.6
137.09616	1.4
137.13268	1.8
144.66023	1.2
145.10097	2.3
147.11685	46.3
149.13268	4.4
151.11160	2.5
159.11772	2.1
161.13260	25.7
163.11270	1.7
163.14819	14.7
165.12761	3.4
175.02824	4.2
175.14815	25.5
175.26480	1.2
177.16426	3.6
193.03873	2.5
198.04388	1.3
203.17949	100.0
204.18294	1.4
206.16296	2.6
221.15369	3.4
221.19019	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01862	1.2
53.24078	1.3
70.23537	6.9
80.27138	1.3
81.07029	1.7
85.07634	1.5
93.07018	1.6
95.08622	2.4
97.07718	1.4
101.97700	1.4
104.10751	100.0
105.07079	1.4
108.94094	1.3
110.07151	2.2
111.05525	1.6
112.08769	7.1
113.97309	1.3
119.08578	2.3
123.08101	1.5
124.08794	1.5
133.10045	2.3
134.07109	1.9
136.08827	1.5
137.08221	2.8
138.10260	3.8
153.11407	1.7
161.08264	6.5
161.13264	1.7
163.09850	2.2
179.09291	2.0
179.12894	2.5
198.01997	2.4
202.95132	1.6
204.12491	2.2
221.15353	7.8
221.17307	1.4
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
53.03937	3.3
55.05300	2.1
55.05505	22.4
56.96573	2.1
57.03407	2.5
57.07073	10.3
59.04972	2.9
59.68110	1.9
67.05500	33.3
69.03411	4.5
69.07063	36.1
69.93067	12.1
70.05834	1.9
71.04974	9.2
71.08620	1.8
76.13255	2.1
77.03884	2.1
79.05491	27.2
81.03388	7.3
81.06582	4.6
81.07053	87.5
83.04978	7.6
83.08608	15.2
85.02889	8.9
85.06523	6.8
91.05479	24.3
93.06477	2.9
93.07043	49.0
95.04970	13.8
95.08599	100.0
97.06518	10.7
97.10167	22.4
99.08076	5.1
105.07024	63.0
106.07327	2.5
107.07864	3.9
107.08589	73.3
109.06517	5.9
109.10146	62.3
111.04424	14.1
111.08077	6.4
111.11722	8.6
113.09638	3.6
116.98644	3.6
117.07012	4.0
119.08572	66.6
121.06483	2.9
121.10141	46.6
123.04405	3.1
123.08049	7.2
123.11683	25.9
125.06034	2.6
125.09608	6.8
129.07030	3.8
131.08540	4.6
133.06485	4.5
133.10124	43.5
134.99654	2.7
135.08029	2.4
135.11671	16.6
137.05965	3.6
137.09615	3.8
137.13228	3.4
139.11169	8.6
143.08562	5.7
145.10124	12.2
147.08049	5.8
147.11676	60.6
149.13208	12.0
151.11119	9.5
154.67894	2.1
157.10115	4.1
159.11722	7.3
161.05983	5.7
161.09621	10.5
161.13268	35.9
163.11125	4.4
163.14819	27.5
165.09160	3.5
165.12732	3.4
175.07498	2.7
175.14806	19.6
177.16342	4.2
179.06976	3.5
179.10622	2.4
179.14301	2.2
185.13292	9.5
193.08626	2.7
203.07014	4.4
203.10742	2.4
203.14368	12.0
203.17953	64.8
221.07976	6.3
221.15416	44.2
221.18999	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.6
56.05038	3.2
60.08165	2.7
62.91537	2.2
66.10128	2.2
67.05518	4.2
68.05031	4.0
69.04525	5.2
70.06597	3.2
71.59977	3.2
81.04549	2.9
81.07040	5.0
83.06087	3.8
85.07669	5.9
90.12960	2.4
93.07071	2.8
95.06085	5.9
95.08622	4.7
97.07657	6.6
98.07205	3.3
104.10746	100.0
105.06980	4.2
107.08573	4.2
110.07172	9.2
111.05523	2.7
111.06680	2.3
111.09251	3.8
112.08743	20.1
114.10247	2.5
119.08591	3.9
120.05585	2.7
121.08523	2.2
121.10143	4.0
122.07158	2.6
124.08676	3.9
126.10279	3.6
134.07111	3.4
136.08691	4.6
137.05923	2.5
137.08202	11.3
137.09306	2.9
138.06651	3.6
138.10262	10.6
139.09767	2.5
161.08284	11.9
161.09482	3.1
163.09911	2.9
175.11166	2.9
175.15031	2.8
178.10829	2.7
179.09348	7.3
179.12944	4.0
206.16287	3.0
221.04539	2.5
221.07910	3.3
221.11800	7.2
221.15334	14.7
221.17435	3.7
242.94408	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07091	17.0
59.51828	10.1
63.86591	10.7
67.05513	21.9
69.07066	35.0
69.54882	100.0
81.07066	58.0
91.05495	41.5
93.07055	43.5
95.08624	71.6
104.10741	76.1
105.07032	51.4
107.08600	39.8
109.10162	59.4
119.08593	48.8
121.10155	38.3
123.11727	30.5
133.10153	44.4
135.11702	20.1
137.09659	14.0
145.56239	11.0
146.12009	10.9
147.11740	75.9
149.13283	13.8
161.13277	39.9
163.14853	13.5
165.12799	23.6
172.82150	11.0
175.14867	25.2
177.50392	11.3
195.51060	12.5
203.18016	76.4
221.15483	14.0
221.18961	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.5
60.07876	0.2
60.08163	3.2
68.61010	0.1
69.51136	0.1
69.63907	0.2
70.50863	0.6
82.98581	0.1
104.10743	100.0
105.11067	0.6
132.73093	0.2
221.18608	0.3
222.13458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
58.06575	1.3
60.08153	2.7
67.05504	3.5
68.05046	1.4
69.04556	1.0
70.06606	1.3
70.93868	1.9
70.94193	1.0
72.69041	0.9
79.05486	2.3
81.03391	0.9
81.07057	2.0
83.49564	0.9
91.05456	1.7
93.07014	1.4
95.06059	1.2
95.08590	2.0
95.73784	0.9
97.02883	1.1
97.07664	1.8
104.10741	100.0
105.07012	3.3
107.08561	1.6
109.07582	1.1
109.10152	1.8
110.07183	3.0
111.09136	1.2
112.08736	4.7
119.08585	4.1
120.05585	1.9
121.10129	3.0
123.08109	1.2
133.10147	2.9
136.08778	1.2
137.08208	3.5
138.10243	2.9
147.11667	3.0
152.39856	1.0
161.08208	3.2
161.13208	1.9
162.10344	1.1
163.09871	1.3
175.14828	1.3
179.09253	1.3
179.12900	1.5
203.10684	1.1
203.17937	2.4
204.12387	1.0
214.33685	1.0
218.97844	1.0
221.11761	1.9
221.15263	4.6
221.18791	1.9
238.78877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04243	2.1
56.05037	3.0
57.07076	2.0
59.06124	2.8
60.08172	2.1
66.34674	1.8
67.05510	4.8
67.06764	1.4
68.05039	1.8
69.04568	3.2
69.07060	2.3
70.06595	4.1
71.60741	1.6
72.08134	1.7
73.07645	1.5
79.05495	3.3
81.07065	6.9
83.04974	1.7
83.06090	2.5
85.07665	2.1
91.05485	2.8
93.04601	1.7
93.07069	3.0
95.06091	5.0
95.08627	6.9
96.05659	1.6
96.08144	1.7
97.06505	2.1
97.07656	3.8
98.07170	1.7
104.10753	100.0
105.07047	5.5
107.08612	3.7
109.07584	1.8
109.10163	5.5
110.07191	4.9
111.09187	2.5
112.08736	9.8
119.08591	8.5
120.05631	1.9
121.07722	1.7
121.10159	7.1
121.66106	1.5
122.07170	3.1
123.09245	1.6
133.10138	7.0
134.07175	2.6
136.08661	3.8
137.05992	3.4
137.08234	5.1
137.09639	1.9
138.10265	4.7
139.09830	2.0
147.11720	5.2
150.65100	1.5
151.09802	2.5
161.08267	9.4
161.09511	2.6
161.13287	3.7
162.10191	1.8
163.09869	2.6
175.14888	4.4
177.11331	1.8
179.09283	7.4
179.10677	1.8
179.12952	4.3
185.13510	2.1
203.17963	5.0
204.12733	2.1
206.16309	1.9
221.11702	2.2
221.15483	8.2
221.18970	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76608	1.0
55.64184	1.1
56.05030	2.1
58.06585	1.2
59.06124	2.7
60.08154	1.3
61.09414	1.1
67.05486	1.9
68.05031	3.0
69.04542	3.3
69.07061	1.4
70.06593	3.5
71.60535	1.9
72.08143	1.7
79.05505	1.2
79.82854	1.0
81.07034	1.9
83.06109	3.2
84.05620	1.1
84.08145	1.1
85.07670	2.9
91.05489	1.1
95.06078	4.0
95.08592	2.0
96.05605	2.2
97.07643	3.3
98.07190	3.5
104.10746	100.0
107.08599	1.6
109.07620	2.5
109.10155	1.7
110.07157	6.5
111.09231	3.1
112.08722	12.3
114.10307	1.4
119.08588	1.3
120.05570	1.4
121.10149	1.7
122.07156	2.9
124.08676	1.5
125.10741	1.2
133.06604	1.3
133.10124	1.6
134.07130	2.0
136.08714	3.0
137.07271	1.0
137.08232	4.9
137.09372	1.3
137.10703	1.2
138.10243	7.4
139.09773	2.6
148.08708	1.6
151.09734	2.5
153.11342	2.5
160.08806	1.3
161.08229	7.6
161.09377	1.2
161.13217	1.4
162.10245	2.3
163.09760	2.6
178.10831	2.6
179.09282	4.4
179.12886	3.2
180.12482	3.3
203.14459	1.2
203.17892	1.4
204.12527	4.0
221.07950	1.2
221.11742	3.3
221.15239	11.7
221.17720	2.5
222.17168	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05512	5.7
56.96551	2.4
57.07054	2.6
59.05000	1.8
60.08157	1.8
67.05501	10.1
69.03408	2.1
69.07067	10.1
69.69277	4.2
69.69687	1.3
71.04995	31.6
79.05493	7.6
81.07059	12.2
83.04985	2.0
83.08629	5.8
85.06542	4.5
87.04433	0.9
91.05471	9.1
93.07050	23.4
94.74378	0.7
95.04974	4.3
95.08612	11.7
97.06551	1.6
98.20805	1.0
99.04413	0.9
101.06041	0.9
104.10051	2.1
104.10746	42.4
105.07034	27.2
107.08604	27.8
109.06509	2.8
109.10159	14.4
111.08090	1.1
113.06027	7.2
117.07010	1.5
117.81247	0.8
119.08588	47.9
120.08938	1.0
121.10146	100.0
123.08071	2.8
123.11705	2.0
125.09644	1.5
127.07543	2.4
131.08554	2.9
133.10135	71.5
135.11702	10.2
139.07503	1.5
143.08632	0.9
145.10146	2.4
146.10921	0.9
147.08012	2.8
147.11700	10.6
149.13290	1.4
151.07504	2.5
157.10107	1.3
159.11728	5.4
161.09630	4.3
161.13263	53.2
163.14804	1.5
165.09151	4.5
170.10883	1.5
175.02809	8.3
175.14835	81.6
177.16412	1.6
185.13275	4.2
193.03798	5.3
193.15939	1.2
198.04442	2.4
203.14345	23.9
203.17979	5.3
206.16254	1.2
216.05554	1.2
221.15378	48.0
221.18713	6.1
222.15707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03946	0.9
55.05510	6.6
56.96561	3.5
57.07062	2.0
59.04993	2.0
67.05504	8.6
69.03415	1.9
69.06718	0.8
69.07067	11.0
69.51829	1.1
69.52234	3.9
71.04994	18.6
73.06541	1.0
77.03954	0.6
79.05495	7.7
81.07055	13.0
83.04979	2.2
83.08618	6.2
85.06536	4.8
87.04465	0.7
91.05479	9.4
93.06467	1.2
93.07046	20.8
95.04951	3.7
95.08609	14.1
97.06519	1.7
97.10187	1.2
98.97591	5.7
103.05441	0.6
105.07031	26.9
107.08593	33.8
109.06530	2.9
109.10156	14.1
111.08118	1.0
113.05984	4.7
113.09664	0.6
116.98614	6.1
117.07008	1.3
119.08583	46.7
121.06507	1.3
121.10143	90.5
122.77971	0.6
123.08059	3.1
123.11703	4.4
125.06023	0.7
125.09621	2.7
127.07611	1.3
131.08600	2.6
133.10132	67.9
134.10443	1.2
134.99643	5.0
135.08051	0.8
135.11700	7.7
137.09676	1.3
137.13301	0.6
139.07545	2.0
140.00160	1.3
142.07776	0.7
143.08499	0.9
144.09312	0.9
145.10097	1.7
147.08025	1.9
147.11690	16.3
149.13239	1.8
151.07582	2.6
153.00714	1.2
153.09167	1.1
157.10161	0.9
158.01247	3.2
159.11708	5.8
160.12492	0.9
161.09625	3.8
161.13258	37.0
163.11214	0.6
163.14804	4.1
165.09129	3.8
165.12718	1.3
170.10880	1.0
173.13234	1.2
175.02802	5.6
175.14827	100.0
176.02216	0.7
176.15163	1.6
177.16385	2.2
179.10643	0.7
181.02829	0.6
185.13243	3.2
193.03839	3.1
193.15910	2.1
195.72981	0.7
198.04344	1.4
203.10393	0.6
203.14325	19.9
203.17937	11.8
216.05467	0.8
221.15379	46.6
221.18845	13.3
222.15681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03955	1.0
55.05513	9.7
55.11453	0.7
56.96568	8.3
57.07061	2.4
58.59269	0.8
59.04998	1.7
60.08156	1.9
65.03925	1.0
67.05507	13.7
69.03432	2.6
69.07073	15.3
71.05000	29.1
71.59412	1.2
79.05493	9.3
81.07066	18.5
83.04986	1.8
83.08628	7.4
83.73626	0.8
84.77493	0.8
85.06560	6.1
87.04454	0.9
91.05486	13.3
93.07052	28.2
95.04960	4.7
95.08046	1.4
95.08614	20.0
97.06528	2.0
97.10140	1.0
99.08112	1.2
103.05474	1.1
104.10752	38.0
104.13627	0.9
105.07037	33.8
106.07872	0.9
107.08603	36.4
109.06518	3.4
109.10165	19.1
111.04456	1.0
111.08084	2.3
113.06035	6.5
115.05421	1.0
116.30337	0.8
116.79573	0.8
119.08591	58.0
121.06524	1.4
121.10153	100.0
122.10471	1.5
123.08079	3.4
123.11712	6.6
125.06005	1.3
125.09652	1.8
127.07565	2.2
131.08589	3.2
133.06531	2.0
133.10143	73.5
134.99690	1.4
135.08087	2.4
135.11699	9.8
137.05989	1.2
137.09604	2.3
139.07550	1.6
145.10168	1.8
147.08063	2.3
147.10645	1.5
147.11714	16.6
149.13272	2.1
151.07574	2.8
157.01767	1.5
157.10133	1.1
158.01297	1.0
159.11739	6.2
160.12537	1.0
161.09680	3.9
161.13269	56.4
163.14830	4.8
165.09134	4.8
173.13278	2.0
175.02803	16.4
175.14841	89.7
176.15178	1.4
177.16425	4.1
179.10602	0.8
185.13261	3.7
193.03851	9.0
193.15926	1.5
198.04440	5.7
203.14348	24.2
203.17975	13.1
206.10921	1.0
216.05461	2.0
221.04320	1.7
221.08134	1.0
221.13422	2.4
221.15385	51.7
221.18829	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	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.11808	0.7
55.05503	6.5
59.04987	1.4
67.05500	8.0
69.03424	2.2
69.07064	9.5
70.04549	2.0
70.04962	1.3
71.04993	26.1
73.96600	0.6
79.05492	7.5
81.07057	8.2
83.04948	1.2
83.08618	5.3
85.06540	4.8
87.04391	0.6
91.05476	7.4
93.06465	1.3
93.07044	19.3
95.04981	4.0
95.08601	8.0
96.08720	0.6
97.06493	0.7
99.04454	0.9
103.05434	0.7
105.07026	22.1
107.07857	1.3
107.08588	26.1
108.09430	0.8
109.06512	3.0
109.09464	0.8
109.10159	9.2
111.08112	0.7
113.06017	7.1
117.07028	0.8
119.08578	44.1
121.10139	100.0
123.08022	3.2
125.05970	0.7
125.09612	1.8
127.07533	2.0
131.08553	1.7
133.10126	72.4
134.10455	0.7
135.11697	5.6
139.07497	1.3
145.10153	1.6
147.08055	1.9
147.11674	7.3
151.07536	1.8
153.09084	0.8
159.11725	5.1
160.12538	1.0
161.09663	3.2
161.13254	48.7
165.09113	3.6
170.10918	1.2
173.13216	1.8
175.02748	1.2
175.14819	88.2
176.15187	1.8
177.16368	1.1
185.13237	5.0
193.03891	1.0
193.15904	1.8
203.14307	21.4
203.17897	0.9
218.66293	0.7
221.15367	47.0
222.15749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.51718	0.5
53.03963	0.6
55.05510	7.9
56.96569	6.8
57.03472	0.5
57.07065	2.4
59.04988	1.3
64.03348	0.5
65.03931	1.0
67.05164	0.9
67.05500	9.8
68.14147	0.5
69.03429	2.2
69.06716	1.0
69.07069	11.8
69.64679	3.2
69.65094	1.1
71.04994	29.6
73.06545	0.7
79.05499	8.2
81.07060	14.6
83.04978	1.4
83.08614	7.0
85.06542	6.3
87.04485	1.1
91.05482	11.4
93.07045	24.8
95.04975	4.3
95.08614	12.6
97.06552	1.5
98.20821	1.1
101.06026	0.9
103.05479	0.8
104.10751	12.1
105.07032	31.8
107.04911	0.7
107.08595	32.2
109.06546	3.3
109.10155	14.0
111.04460	0.7
111.08067	1.0
113.06020	6.9
117.07016	2.2
119.08584	54.7
121.06518	1.5
121.10145	100.0
122.11044	0.6
123.08079	3.5
123.11734	3.1
123.12488	0.5
125.06005	1.2
125.09628	1.4
127.07536	2.1
129.06898	0.7
131.08574	2.6
133.06502	1.4
133.10133	80.0
134.10579	0.6
134.99756	0.5
135.08037	1.6
135.11694	9.4
137.05984	1.5
137.09587	1.1
139.07594	2.1
143.08537	0.9
145.10126	2.3
146.10860	1.2
147.08095	3.0
147.11691	11.4
149.13277	1.2
151.07542	3.3
153.09109	1.7
154.25122	0.5
154.67677	0.7
157.01761	0.8
157.10130	1.3
159.11703	6.4
160.12439	1.0
161.09665	3.9
161.13260	66.3
162.13626	1.2
163.14868	1.6
165.09117	5.5
170.10925	1.5
173.13257	2.5
175.02780	11.3
175.11298	1.7
175.14835	92.9
176.15140	1.6
177.16373	2.0
179.10655	1.2
185.13237	4.4
193.03845	6.1
193.15884	2.1
198.04375	3.1
203.14352	24.8
203.17894	5.0
206.10895	0.8
206.16177	0.8
210.53496	0.5
216.05220	0.6
221.04376	0.7
221.13477	2.4
221.15375	58.1
221.18649	6.2
222.15613	1.1
236.26483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.05509	6.7
56.96561	1.1
57.07064	1.9
57.86486	0.7
59.04998	1.6
63.36388	0.6
67.05508	8.3
69.03424	2.4
69.07066	8.7
71.04993	33.2
71.52400	1.2
79.05484	9.7
81.07062	9.3
83.04976	1.2
83.08617	5.5
85.06546	6.0
88.63537	0.7
91.05481	10.0
93.07050	23.4
95.04976	4.3
95.08612	8.1
95.14423	0.7
103.05494	1.2
104.10767	5.4
105.07029	24.1
107.08595	28.5
109.06506	2.9
109.10156	10.8
111.08072	1.0
113.06020	8.1
117.06995	1.7
119.08584	48.6
121.10146	100.0
123.08066	2.4
123.11659	1.0
125.09650	2.2
127.07556	2.4
131.08572	1.9
133.06566	1.3
133.10133	76.1
135.11707	6.0
137.09619	1.2
139.07635	1.0
145.10106	1.4
146.10924	1.4
147.08075	1.8
147.11684	8.1
151.07568	2.1
153.09138	1.2
157.10037	1.1
159.11676	5.2
160.12334	0.8
161.09659	3.5
161.13261	49.1
165.09125	2.6
170.10924	1.6
173.13234	2.5
175.02840	1.2
175.14830	89.0
176.15202	1.2
177.16481	0.9
185.13257	3.5
193.03745	1.6
193.15923	1.2
203.12422	1.2
203.14328	22.6
203.17882	1.0
221.15373	45.7
222.15755	1.4
244.66832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
52.75310	0.7
53.03930	1.4
55.05507	6.1
56.96566	1.1
57.07082	1.0
59.04987	1.7
60.99407	0.8
64.16734	0.8
65.03935	1.1
67.05505	7.6
69.03416	2.1
69.07070	9.0
69.38943	3.2
69.39381	4.4
70.26540	0.8
71.04992	28.8
79.05499	8.1
81.07057	9.2
83.04959	1.9
83.08615	5.9
85.06537	5.6
86.15669	0.8
91.05472	9.5
93.07041	21.3
95.04948	3.8
95.08618	10.0
97.06554	1.3
101.06003	0.8
103.05530	0.8
104.10730	1.9
105.07023	23.5
107.08595	28.9
109.06516	2.2
109.10156	11.1
113.05997	8.3
117.07022	1.7
119.08582	45.4
121.10142	100.0
123.08063	2.9
123.11698	1.0
125.06037	1.0
125.09635	0.9
127.07514	2.3
131.08522	1.7
133.10130	72.7
134.10434	1.3
135.11688	5.7
137.05957	1.0
139.07498	1.2
145.10117	2.0
146.10912	1.1
147.08031	2.3
147.11685	7.8
149.13234	1.0
151.07541	1.6
157.10164	0.8
159.11720	6.0
160.12410	1.1
161.09630	3.3
161.13254	52.6
165.09085	3.6
170.10916	2.3
173.13235	1.5
175.02774	2.5
175.14824	93.5
176.15144	1.0
177.16412	1.3
185.13255	4.3
193.03821	1.7
193.15894	1.4
203.14323	23.7
203.17957	1.1
221.15363	50.0
221.18877	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03955	0.5
55.01881	1.5
55.05503	2.7
55.72139	0.4
56.96567	2.8
57.07072	0.5
59.05009	1.6
66.57559	0.4
67.05512	3.1
69.03432	2.0
69.07076	4.6
70.76715	1.2
71.04990	0.9
73.06561	11.4
73.50460	0.4
76.21033	0.4
79.05495	4.6
81.07056	7.0
83.04969	0.8
83.08627	1.0
85.06548	1.6
91.05486	18.7
93.07053	6.1
95.04990	1.6
95.08608	6.6
96.92306	0.3
97.06546	0.6
97.10193	0.5
98.97610	1.3
99.08106	0.5
103.05529	0.5
104.06229	0.8
104.10712	0.5
105.07037	29.4
106.07419	0.4
107.04950	2.7
107.08607	7.2
109.06585	0.6
109.10168	4.9
111.08111	1.0
111.11727	3.2
115.05460	0.8
116.98631	1.3
117.07027	4.8
119.08588	100.0
120.08890	0.9
121.06525	1.4
121.10154	4.0
123.08051	0.6
123.11725	2.3
128.06213	1.4
129.06999	0.9
131.08575	1.1
133.06534	5.8
133.10136	66.7
134.10455	0.5
134.99663	1.7
135.11691	2.3
137.09641	0.8
143.08557	3.9
145.06462	1.1
145.10138	1.0
146.07239	2.2
147.08055	81.6
147.11697	9.1
148.08835	4.4
149.13251	0.9
151.11186	0.9
157.01756	1.1
158.01244	0.7
159.11755	0.6
161.05988	0.5
161.09628	19.3
161.13266	2.8
163.14827	4.3
175.02795	8.0
175.04185	0.6
175.11139	0.7
175.14871	1.9
179.10706	3.0
189.09119	14.6
189.10732	0.8
193.03842	5.2
193.12285	1.1
198.04434	1.4
203.10643	1.6
203.14612	0.4
203.17996	9.2
207.10182	0.7
215.97968	0.5
216.05452	0.6
221.04536	0.7
221.11726	41.5
221.15311	2.3
221.19016	9.9
222.12148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03938	0.5
55.01864	0.7
55.05500	2.2
56.96571	6.0
57.03417	0.8
57.07075	3.3
59.05002	0.5
60.04526	1.6
63.72271	0.4
67.05495	3.3
69.03422	1.8
69.07059	1.7
70.06605	1.0
70.52769	1.1
70.53130	1.4
71.04977	0.6
72.04492	0.6
72.08159	0.7
73.02908	1.1
74.02431	0.8
74.06049	0.6
79.05508	1.3
81.03414	0.8
81.07057	3.3
82.02926	1.8
83.04984	1.3
83.08620	0.6
84.08137	1.2
85.02905	1.9
86.09702	1.1
87.24169	0.6
90.05552	1.8
91.05464	1.9
91.05934	0.7
93.07050	2.2
94.06570	3.8
95.04963	2.0
95.08588	2.8
97.02900	3.1
98.20905	0.6
98.97597	3.0
103.05471	1.2
103.36327	0.5
104.10733	8.0
105.07057	3.6
107.08598	3.5
109.06524	0.8
109.10169	3.2
110.07185	1.4
111.04466	0.6
111.08074	1.5
112.07575	0.7
115.05443	0.9
116.98604	2.0
117.07029	0.5
118.08681	0.8
119.01850	0.6
119.08601	3.8
120.08150	0.9
121.06510	1.3
121.10144	2.1
123.08070	0.9
123.11684	1.0
127.03994	0.9
128.98618	1.0
130.06529	81.2
131.00200	0.6
131.06892	0.6
132.04454	46.8
133.04869	0.6
133.10121	3.2
134.99628	1.5
135.08041	1.0
135.11699	0.9
136.07588	0.7
137.05977	1.8
137.09625	1.7
140.04889	0.8
146.06070	0.6
146.99655	0.8
147.04379	0.7
147.08087	0.9
147.09163	1.0
147.11682	2.3
148.07599	3.1
149.01126	0.7
151.07571	0.7
153.00586	0.6
153.09138	1.2
157.07620	54.1
158.06013	84.1
159.06357	1.3
159.09250	0.8
161.04692	0.7
161.05940	1.2
161.09572	1.2
161.13274	1.4
163.02711	0.6
165.09152	1.0
174.98569	1.4
175.02774	3.3
175.08675	100.0
175.14842	2.4
176.07080	2.2
176.08929	0.6
177.00703	0.9
179.10677	0.7
185.07137	2.1
185.10060	0.8
186.05536	3.1
193.03880	2.2
193.15892	1.6
203.08171	39.2
203.14284	1.2
203.17996	1.6
204.06741	3.8
204.08408	1.0
206.16240	1.5
209.04938	0.9
210.06607	1.1
221.04599	2.1
221.09251	20.9
221.11804	2.0
221.15340	3.1
221.18803	2.0
222.09483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.01863	3.6
55.05503	4.8
56.05037	1.6
56.05849	0.9
56.96561	13.3
57.03434	4.1
57.07065	5.8
60.04526	2.6
61.02918	2.0
65.03928	1.3
67.05501	5.6
69.03415	8.0
69.07062	5.6
69.36508	0.9
70.06582	3.0
70.30379	0.8
71.04987	2.3
71.57996	1.0
71.58376	1.3
72.04473	1.0
72.08152	1.8
73.02914	7.5
73.06543	1.0
74.06072	4.0
79.05486	3.0
81.03413	2.8
81.07059	8.4
82.02943	1.2
83.01350	2.7
83.04980	4.0
83.08598	2.2
84.04497	1.1
84.08135	3.7
84.96043	0.9
85.02889	7.7
85.06525	1.4
86.09687	3.3
87.04445	0.9
88.03979	1.4
90.05556	4.6
91.05422	5.3
91.05954	1.5
93.07032	5.7
94.06583	5.5
95.01320	12.0
95.04964	2.6
95.08605	8.1
97.02880	12.6
98.97589	8.0
99.04443	2.6
100.03970	1.1
101.05994	5.1
102.12055	0.8
103.05437	1.3
104.10732	16.1
105.07032	6.6
107.04989	1.2
107.08576	6.9
109.06505	2.7
109.10152	7.7
110.01294	2.1
110.07170	3.1
111.00817	1.7
111.08082	4.2
112.50456	0.9
113.02395	1.9
113.03596	1.4
115.03947	2.1
115.97800	0.9
116.03471	0.9
116.06998	0.9
116.98633	6.9
117.03759	1.0
118.08644	3.4
119.01859	3.3
119.04907	1.9
119.08545	6.4
120.08114	1.0
121.06507	4.5
121.10163	4.3
123.04462	1.0
123.08071	1.8
123.11723	2.6
127.03912	3.1
128.02312	1.6
128.24184	1.0
128.98605	2.7
129.01866	1.0
129.05489	4.9
130.06517	79.8
131.06876	1.1
132.03445	2.2
132.04443	45.0
133.09253	1.0
133.10098	5.6
134.99654	6.0
135.08046	1.9
135.11678	1.8
136.07552	3.1
137.01843	1.4
137.02905	1.1
137.05957	3.4
137.09569	3.3
138.98827	1.0
141.05475	9.0
143.03271	1.2
146.02293	2.1
146.99625	2.7
147.04424	2.5
147.08026	1.3
147.11652	7.2
148.07593	2.7
152.02306	1.0
153.00732	2.4
155.02855	1.8
155.04643	3.0
155.54803	1.8
156.97485	4.1
157.04942	3.9
157.07610	51.4
158.01237	1.4
158.06001	82.8
158.99655	3.0
159.06354	1.4
161.01154	1.5
161.03085	1.1
161.05957	4.2
161.08238	1.1
161.09569	2.2
161.13245	3.3
164.03300	1.3
164.05193	1.4
165.00633	1.3
165.04240	1.5
165.05595	1.3
165.09137	2.3
170.03294	1.5
172.95247	2.1
173.02759	1.2
174.98508	7.3
175.01300	1.7
175.02759	7.3
175.08665	100.0
175.14804	4.2
176.07056	2.3
177.00684	2.9
179.03970	1.2
179.10660	2.0
182.03337	2.6
185.07147	1.6
186.05515	1.8
191.03917	4.0
193.03764	4.8
193.12181	1.6
193.15851	2.2
198.00156	2.8
198.98566	1.7
200.04428	5.5
200.54730	1.4
201.00763	1.7
203.08162	36.2
203.10956	2.3
203.14456	2.0
203.17903	6.0
204.06587	4.0
206.16216	1.6
209.03111	0.9
209.05014	3.1
211.55251	1.4
216.99579	5.0
219.01759	2.5
221.04492	4.0
221.09227	18.0
221.11890	5.9
221.15445	7.3
221.19029	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	221.0809
Annotation	Polygonolide
Peak:m/z	Relative Intensity
53.03932	0.4
55.01854	0.3
55.05508	1.7
56.96561	0.3
57.07058	1.2
59.04995	0.5
63.78704	0.3
66.41173	0.3
66.62815	0.3
67.05228	0.3
67.05506	3.4
69.03425	0.6
69.07064	3.4
70.24409	1.2
71.04997	4.2
75.04423	0.3
77.03902	0.3
79.05493	3.7
81.07059	8.0
82.09764	0.3
83.04945	0.6
83.08607	1.1
85.06538	0.7
91.05479	3.2
93.07042	6.1
95.04961	1.1
95.08604	13.4
97.06499	0.5
97.10148	0.6
98.97560	0.5
105.07030	9.5
107.08595	12.4
109.02886	0.4
109.06514	0.7
109.10150	7.0
110.08537	0.3
111.04427	1.0
117.07020	0.4
119.07955	0.3
119.08585	7.8
121.06493	0.5
121.10146	6.7
123.04416	0.4
123.08038	0.9
123.11714	1.6
125.09625	0.5
127.03949	0.4
131.08553	0.8
133.06415	0.4
133.10124	6.7
135.08090	0.3
135.11684	2.2
137.06010	0.7
137.09590	0.6
137.13266	0.4
137.36078	0.3
145.10109	0.9
147.08047	1.1
147.11684	11.6
149.13243	1.3
151.07509	0.6
151.11145	0.7
151.14767	0.6
153.01819	2.3
159.08141	0.3
159.11629	1.0
161.05974	0.6
161.09631	1.2
161.13266	5.0
163.14819	4.8
164.04730	0.5
165.09068	0.6
165.12746	1.0
175.07510	0.7
175.11211	0.4
175.14818	3.9
177.16397	2.3
179.03294	0.4
179.07004	0.5
179.10614	0.3
185.13242	0.9
192.04178	25.3
193.04935	1.2
193.15683	0.3
203.07108	0.4
203.10677	0.5
203.14244	1.1
203.17957	29.6
221.08089	100.0
221.15422	2.8
221.19020	10.6
222.08401	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05495	0.7
56.96546	0.9
57.07057	1.2
64.70898	0.5
67.05460	0.7
69.03383	0.7
69.07032	0.8
69.89483	3.1
74.00706	0.5
79.05466	0.6
81.03386	0.6
81.07037	2.0
82.02913	1.5
83.04990	0.6
83.08590	0.6
85.02881	0.8
86.13601	0.6
86.94289	0.5
91.05468	1.4
93.07045	0.8
94.06562	3.1
95.08595	0.7
97.02919	0.9
98.97584	0.9
102.99805	0.5
105.07048	1.4
106.06516	0.6
107.08553	0.7
109.10140	1.5
111.08091	1.0
115.05455	1.7
116.98637	0.6
117.05737	0.6
118.06534	0.6
119.08540	1.1
120.08107	1.1
121.06464	0.9
123.08029	0.5
123.11665	0.5
127.03896	0.5
129.06985	0.8
130.06529	41.6
131.04938	0.7
131.06844	0.7
132.04456	28.8
132.08072	0.7
133.04718	0.5
133.10129	0.7
133.23225	0.5
134.06030	6.2
134.99669	0.7
135.08067	0.7
137.06052	0.9
137.09628	0.7
146.05995	2.2
147.04370	0.5
147.06340	1.8
147.09129	1.0
147.11676	0.7
148.07558	4.1
151.11128	0.5
157.07628	18.2
158.06015	63.7
159.06566	0.7
160.05270	0.6
160.07555	3.2
161.06012	0.7
161.09656	0.6
162.05496	10.8
165.09106	0.7
175.08673	100.0
176.07045	2.5
176.08972	1.4
186.05531	5.3
193.16022	0.7
203.08417	0.9
204.06567	19.2
206.51988	0.5
220.11029	0.6
221.09238	32.3
221.15385	1.9
221.18048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14811	1.3
52.43577	1.8
55.05481	4.0
56.96566	7.6
57.07055	5.9
58.41008	1.4
59.75993	1.4
67.05499	2.9
69.07041	2.6
71.04991	2.1
71.06095	2.2
71.58134	2.9
77.00902	2.4
79.05466	2.7
81.07044	7.0
82.99852	1.9
83.08588	2.9
93.07021	3.7
95.08594	6.4
98.97549	3.4
100.02471	6.4
101.00869	7.6
103.00657	2.0
105.07018	2.4
107.08610	2.1
109.10128	4.7
111.08051	2.6
115.02406	1.6
116.98599	3.3
118.03492	6.8
119.01922	100.0
119.08530	5.7
120.02021	2.6
120.03284	1.8
121.01669	14.7
121.03471	1.4
121.06490	2.8
121.10122	2.7
127.00881	2.9
129.03964	2.4
131.01852	2.0
131.03732	1.7
133.10118	4.6
134.99681	4.5
135.03172	8.5
137.02966	57.4
137.04010	2.9
137.05911	2.8
139.00876	3.8
139.02666	7.3
139.50981	2.8
142.03458	7.5
143.03613	2.1
145.01534	1.7
147.04999	4.6
147.08008	1.7
147.11656	3.2
148.01419	12.4
148.51466	3.2
149.04759	4.1
149.06552	4.1
150.51663	6.8
153.00761	1.9
153.04187	2.8
153.09065	2.1
154.03484	3.1
157.01683	3.9
158.01195	2.2
159.52281	9.7
160.02252	3.3
160.04541	5.0
161.01672	3.2
161.02957	27.2
161.04433	2.6
161.13213	2.0
163.02663	10.6
172.08238	1.5
173.04721	8.5
174.67981	1.7
174.98557	1.8
175.02678	10.8
175.04330	4.1
177.00902	1.7
179.00726	11.2
179.04021	65.2
179.05499	2.4
184.04364	1.6
191.05745	8.2
193.00145	2.0
193.03712	3.4
193.15877	2.4
195.51483	10.5
196.01471	3.4
197.99197	4.7
198.02551	3.2
198.04294	5.8
198.06035	4.4
199.05753	2.6
202.05630	3.8
203.03944	2.3
203.17879	3.9
206.16147	1.7
213.04282	1.7
221.01755	55.1
221.05095	2.3
221.06873	46.4
221.11705	2.2
221.15385	4.6
221.18146	2.5
244.03369	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13425	1.2
55.01879	8.3
55.05511	9.2
56.05042	2.5
56.96572	27.0
57.03437	5.4
57.07088	8.8
59.04999	1.4
60.04526	2.6
60.08164	5.3
61.02934	5.4
67.05511	8.4
68.05016	1.3
68.57081	1.4
69.03435	18.4
69.07058	6.4
70.06608	4.3
70.41850	5.3
71.01344	2.3
71.05003	5.1
72.08176	1.9
73.02933	11.7
73.06562	3.1
74.06078	6.4
74.97601	1.4
75.04454	1.6
79.05497	6.2
81.03431	4.3
81.07076	12.8
82.02947	2.6
83.01344	18.0
83.04989	4.0
83.06109	1.9
83.08630	4.2
84.04491	2.0
84.08163	1.5
84.96087	1.6
85.02909	12.2
85.06549	2.6
86.06087	1.3
86.09724	1.4
87.00838	4.0
87.04481	3.6
89.02416	1.3
91.05459	9.2
93.07045	7.7
94.06587	4.1
95.01341	57.4
95.01950	3.0
95.04971	3.0
95.06085	1.5
95.08609	12.2
97.02883	11.8
98.03725	2.2
98.21395	1.7
98.97586	13.1
99.04479	2.8
101.02396	3.9
101.06026	30.7
103.26311	1.3
104.10760	19.3
105.07042	11.3
107.04971	2.2
107.08605	11.0
109.06506	4.3
109.10186	10.7
110.06030	1.7
110.07165	2.3
111.00819	8.3
111.08092	7.2
115.03964	5.0
115.05492	2.0
116.98621	11.6
117.01860	6.9
117.07025	1.8
117.98943	1.6
118.08672	2.3
119.01908	3.6
119.03432	3.0
119.04949	3.1
119.08572	11.9
120.08176	1.4
121.06515	5.5
121.10175	6.5
122.07163	1.3
123.04465	1.9
123.05617	1.4
123.08051	2.6
123.11709	5.9
125.70770	1.4
127.03922	4.7
128.98650	2.5
129.01854	6.9
129.05493	31.6
130.06544	77.3
131.06822	1.5
131.08569	1.4
132.04459	39.2
132.05399	2.4
133.10130	9.8
134.99686	10.1
135.08046	2.6
135.11720	3.9
137.02879	1.7
137.06012	8.0
137.09651	5.8
141.05482	50.5
143.03415	4.8
145.10149	1.6
146.02388	1.4
146.99646	5.0
147.03288	2.2
147.04413	8.3
147.08041	3.2
147.09172	1.6
147.11665	8.3
148.07585	3.9
149.04483	2.3
149.09659	1.6
149.13220	1.7
151.07553	1.7
151.11250	1.6
153.00713	2.0
153.09125	4.0
155.04686	10.2
155.54810	10.9
156.04834	3.2
156.97511	1.9
157.01721	2.0
157.04974	18.7
157.07637	57.3
158.06030	83.7
158.99689	2.8
159.11765	1.5
161.01247	3.3
161.03052	1.8
161.05965	1.8
161.09653	3.3
161.13295	4.5
163.07549	2.9
163.14859	2.4
164.05243	7.0
164.55345	6.8
165.00732	3.5
165.05450	3.7
165.09128	6.2
165.12814	2.0
166.55371	2.6
167.05621	2.1
170.99615	1.4
174.98685	3.3
175.02716	9.8
175.08699	100.0
175.14856	6.4
176.02335	1.6
176.07092	3.3
176.09079	2.4
177.00745	4.4
179.03548	1.5
179.10765	3.5
184.04932	1.4
186.05563	2.1
187.02798	2.8
188.55049	2.0
193.00235	1.9
193.02165	1.5
193.03761	7.8
193.12193	1.6
193.15962	5.4
197.01416	2.0
197.55573	1.6
198.02109	1.9
198.04422	1.6
198.98628	1.9
200.56583	1.6
203.08202	31.0
203.10208	2.6
203.14330	3.1
203.18039	7.0
204.06519	3.7
206.16327	3.1
209.04924	1.6
210.06529	2.3
216.97916	2.8
216.99753	3.6
219.01837	1.7
220.56221	2.1
221.04646	3.5
221.09366	22.3
221.12866	12.7
221.15398	13.7
221.18964	7.4
237.02774	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.4
56.96179	0.8
57.07077	7.0
59.05003	4.7
67.05515	5.5
69.07070	5.6
70.02646	0.6
70.02958	5.2
71.27777	1.7
72.04515	15.1
73.02930	3.7
74.02451	1.7
83.04955	1.3
85.06539	9.9
86.09676	1.5
86.60246	0.7
87.04473	0.8
87.08096	1.9
90.05552	100.0
95.04962	5.8
96.08118	2.5
98.02422	13.2
99.27135	0.7
100.03986	2.3
103.07581	9.3
109.50870	0.8
112.07592	0.9
113.06019	2.7
116.03452	15.4
118.08678	1.2
124.07595	19.0
131.07051	1.6
132.10239	0.8
142.08636	9.5
146.06032	1.9
156.10165	0.8
158.11765	2.1
160.09688	1.7
166.08650	2.2
174.11256	2.2
184.08139	1.4
184.09695	21.4
185.63780	0.7
202.10733	34.0
204.14653	1.4
205.15880	2.1
208.25650	0.7
215.14487	0.7
220.11801	43.3
220.17757	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	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
53.82371	0.2
55.05510	0.3
57.07081	0.3
65.83024	0.3
67.05491	0.5
69.07043	0.3
69.46098	1.6
69.46505	0.6
78.17883	0.3
79.05470	0.4
81.07034	0.7
91.05478	0.4
93.07040	0.5
95.04958	0.3
95.08610	0.6
96.08923	0.4
98.97604	0.4
105.07016	0.9
106.07336	0.5
107.08596	0.7
108.08921	0.4
118.06546	6.5
119.07321	0.3
119.08577	1.1
120.08912	0.7
121.06471	0.3
121.10147	0.6
123.08031	0.3
129.07014	0.4
130.07397	0.3
132.08057	1.5
132.08925	0.5
133.08859	0.9
133.10034	0.5
134.09576	0.3
134.10492	0.4
145.10083	0.4
146.09552	2.0
146.10622	0.4
147.10535	0.4
154.94173	0.6
155.35464	0.3
160.12086	0.5
161.13240	0.3
162.09131	3.6
162.13652	0.4
164.10793	0.3
172.59210	0.3
172.95227	2.2
175.07188	0.7
176.10809	2.7
176.14346	21.1
177.11470	1.0
177.12820	0.4
186.57272	0.3
189.45859	0.3
190.09406	0.7
190.12274	2.0
190.96378	1.8
192.96669	0.3
202.09352	0.4
202.12990	0.4
202.15868	0.3
204.14743	1.2
205.15906	1.9
220.16949	100.0
221.15297	0.5
221.17191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.10161	0.7
54.70938	0.7
55.01881	1.3
55.05514	1.5
56.96563	1.5
57.07082	7.4
58.15790	0.7
59.04997	5.3
67.05502	6.1
69.07070	5.9
70.02946	6.0
71.05013	0.9
71.40584	1.8
72.04516	12.8
72.08166	1.0
72.15455	0.7
73.02930	4.9
74.02444	1.5
75.06987	0.7
79.05516	1.2
80.08852	0.8
81.07039	1.6
83.04974	1.6
84.08144	1.5
85.02888	0.9
85.06541	11.0
86.09705	1.8
87.08098	1.8
90.05555	100.0
91.05446	0.7
95.04974	8.7
95.08609	1.1
96.08118	2.4
98.02422	16.5
98.97581	0.8
100.02199	2.6
100.03989	2.4
103.07577	8.1
112.07609	1.0
113.06012	3.5
116.03448	17.5
118.08650	2.4
119.08585	1.0
124.07583	19.5
131.07010	1.0
142.08644	7.1
146.02754	1.6
146.05980	1.8
156.10201	1.4
158.11758	1.2
160.09706	2.2
166.08653	1.9
174.05576	0.9
174.11241	2.2
177.12689	0.8
184.09698	20.9
202.10744	31.1
204.14691	2.9
205.15895	5.5
207.80286	0.9
220.09990	2.1
220.11813	43.9
220.17781	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	219.2107
Annotation	(Z,E)-3,4,7,11-Tetramethyl-1,3,6,10-dodecatetraene
Peak:m/z	Relative Intensity
50.04339	1.0
55.05261	1.5
55.05508	19.9
57.07081	7.1
67.05172	1.3
67.05503	21.3
67.47883	0.8
69.03417	1.5
69.07066	30.0
69.94223	5.9
71.04971	2.0
71.08621	3.4
73.21260	0.8
79.05076	0.9
79.05495	15.9
81.07053	61.5
83.04963	3.0
83.08616	14.8
85.06542	1.1
88.64095	0.8
89.06008	0.9
91.05479	14.6
93.07038	46.4
95.04960	3.4
95.08602	69.9
97.06494	1.6
97.10162	10.5
105.07025	19.6
107.08589	56.0
108.64294	0.8
109.06501	3.7
109.10152	58.3
111.04467	1.3
111.08022	1.1
111.11689	3.3
114.32343	0.8
115.05429	1.3
117.07007	7.9
119.07797	1.5
119.08578	22.1
121.06476	2.4
121.10139	79.3
123.08073	3.1
123.11704	22.0
125.09608	1.6
129.06998	2.5
130.07758	1.5
131.08568	14.2
133.06482	1.1
133.10132	18.7
135.08043	3.0
135.11681	33.0
135.12706	1.9
137.09654	1.8
137.13255	10.6
142.07820	1.2
143.08566	3.0
144.09329	1.8
145.06482	2.4
145.10135	16.2
146.06001	1.3
147.11665	7.0
149.06015	1.4
149.09575	2.7
149.13254	37.6
157.10081	2.5
158.10872	2.5
159.08015	2.9
159.11674	17.2
160.12404	1.3
161.09596	2.5
161.13251	10.4
163.07561	4.2
163.11168	4.2
163.14816	34.2
173.09605	1.3
173.13263	22.7
173.14679	1.9
174.06767	1.1
175.14839	8.9
177.09135	1.4
177.12767	1.2
177.16382	4.7
183.11731	1.4
185.13306	1.3
188.12006	1.3
189.09138	1.3
191.14259	1.7
191.17857	1.9
201.09479	1.4
201.12747	16.9
201.16360	18.1
203.14299	20.5
219.03110	0.9
219.06369	1.3
219.10202	2.9
219.14056	18.3
219.17435	100.0
219.20929	33.8
220.17828	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	12-Sesquisabinenal
Peak:m/z	Relative Intensity
55.05499	3.4
56.96567	5.1
57.07055	1.9
58.91767	0.7
67.05503	9.9
69.03428	47.9
69.07069	7.6
71.04979	1.3
71.19701	2.2
73.77511	0.8
74.97984	0.7
79.05489	7.4
81.06580	1.3
81.07050	19.3
83.04977	3.3
83.08607	1.4
83.28772	0.7
85.06551	5.6
86.10313	0.8
89.66795	0.9
91.05479	6.7
93.07040	31.8
95.04958	2.5
95.08593	14.6
95.84555	0.8
97.06526	4.5
97.10146	1.1
105.07030	11.9
107.08587	19.0
109.06506	3.5
109.10146	14.8
111.08094	7.1
117.07011	2.8
119.08582	16.3
121.06478	3.1
121.10140	14.2
123.08060	3.7
123.11718	10.1
125.09598	1.3
130.07794	1.0
131.08580	6.6
133.10121	10.1
135.08061	8.3
135.11688	24.9
137.09596	2.5
143.08549	1.4
145.10121	11.5
147.11658	3.7
149.09622	3.5
149.13229	3.2
151.11179	0.9
157.10115	1.3
159.08066	0.9
159.11687	12.0
161.09602	1.5
161.13260	11.1
163.07648	0.8
163.11198	8.2
163.92401	0.9
172.59233	0.9
173.13248	5.2
175.14806	4.8
176.11972	1.2
177.12794	2.3
177.16374	2.3
185.10109	3.3
191.18024	1.8
196.60878	1.4
201.12769	5.9
201.16376	12.8
203.14308	10.0
217.07704	0.8
219.13832	6.4
219.17436	100.0
220.17787	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03956	1.0
55.05515	4.0
57.03417	0.7
57.07074	2.4
59.05001	0.6
67.05505	6.7
69.03414	1.6
69.07068	12.4
70.77463	1.6
70.77817	0.8
71.04988	2.5
79.05495	4.5
81.06582	1.0
81.07060	13.6
83.04979	2.1
83.08601	2.0
85.06538	1.8
91.05492	6.6
93.07046	11.2
95.04941	1.9
95.08607	14.0
97.06525	3.2
97.10143	1.1
105.07032	16.2
107.08594	13.6
109.06534	3.4
109.10163	13.7
111.08092	2.6
117.07005	4.1
119.07796	1.3
119.08585	17.5
121.06516	1.5
121.10154	15.4
123.08055	3.0
123.11724	4.4
125.09629	1.7
125.81605	0.6
127.08644	0.8
128.06227	0.8
129.06987	1.9
130.07776	1.0
131.08583	8.1
133.10139	11.3
135.08032	2.5
135.11696	9.3
137.09624	5.0
137.13245	1.7
141.06969	1.1
143.08606	1.0
144.09329	1.0
145.10121	16.9
146.06036	1.0
147.11684	5.4
149.09625	5.2
149.13268	2.2
151.11191	1.0
157.10115	2.0
158.07172	0.7
159.08061	2.0
159.11697	11.7
161.09630	1.0
161.13287	9.6
163.07567	1.0
163.11205	7.5
163.14793	0.8
173.09583	1.1
173.13257	5.0
174.06721	1.9
175.11186	1.0
175.14851	7.0
177.12756	2.0
177.16417	1.6
183.11691	0.9
187.11255	0.9
189.09064	2.5
191.17964	2.7
201.09129	2.3
201.12828	3.2
201.16409	13.8
203.14308	15.0
219.10130	4.6
219.13846	5.8
219.17444	100.0
220.17792	1.4
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
53.03946	1.0
53.27573	0.7
55.05512	6.3
57.07061	3.3
59.04996	0.7
67.05499	12.1
68.42815	0.7
69.03424	0.9
69.07069	15.4
71.04989	2.0
79.05494	10.9
79.60123	0.8
81.04532	0.9
81.07058	23.9
83.04975	2.9
83.08623	3.9
85.06528	2.0
91.05471	14.1
91.06009	1.1
93.07038	23.8
93.07627	1.3
95.04949	3.3
95.08605	24.3
97.06535	4.8
97.10173	1.2
105.07031	28.1
107.04955	1.9
107.08601	19.1
109.06493	5.4
109.10153	18.1
110.07218	0.7
111.08060	2.5
111.11666	0.9
115.05532	0.8
117.07011	9.5
119.08580	22.2
121.06483	2.7
121.09319	1.2
121.10137	16.3
123.08057	6.5
123.11700	16.4
125.09657	1.0
129.06999	2.0
130.07802	1.8
131.08551	12.6
133.10129	14.1
135.08034	2.9
135.11697	22.2
136.08691	1.0
137.09624	4.0
137.13239	1.0
138.66898	0.7
143.08511	2.3
144.09285	1.5
145.10123	28.8
146.05940	1.1
147.11690	8.4
149.09604	3.3
149.13246	4.4
154.81543	0.7
157.10135	2.4
159.11697	21.7
159.13020	1.2
161.09615	1.5
161.13254	13.1
163.09810	1.6
163.11157	16.8
163.14822	2.1
173.13266	6.9
175.14815	9.9
176.11922	3.0
177.12724	3.4
177.16403	2.7
178.10883	0.9
191.14282	1.5
191.17958	6.1
201.12811	1.0
201.16380	22.5
203.14326	5.3
219.13747	5.1
219.17433	100.0
220.17751	1.0
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
53.03949	1.8
55.05504	8.2
57.07049	4.9
59.04979	1.8
60.33240	1.7
62.29822	1.6
67.05506	16.7
69.07062	17.7
70.93105	3.1
71.04980	2.9
79.05494	14.7
81.07055	38.6
83.04975	9.0
83.08611	4.0
85.06553	2.7
85.66023	1.7
88.76208	1.4
91.05475	12.6
93.07037	22.1
95.04959	5.1
95.08604	25.5
97.06532	12.4
105.07027	26.4
107.04964	1.9
107.08595	24.1
109.06498	6.5
109.10152	28.4
111.08070	3.9
115.17411	1.7
117.07018	13.5
119.08593	27.3
121.06455	3.1
121.10145	26.5
123.08038	4.6
123.11704	43.9
125.09563	2.0
129.06947	2.5
130.07712	3.0
131.08571	17.8
133.10132	19.3
135.08037	4.1
135.11708	17.1
137.09604	2.0
137.13246	2.6
139.11096	1.9
143.08565	4.4
144.09329	2.1
145.09029	3.2
145.10118	36.6
147.11739	7.7
148.69211	1.6
149.09644	8.2
149.13228	3.8
157.10100	3.6
158.10898	2.1
159.07974	3.6
159.11694	41.1
161.13255	16.1
163.11177	7.1
169.73459	1.7
173.13304	10.4
175.14796	11.5
177.12703	2.4
177.16393	2.6
191.17937	16.5
201.12711	10.3
201.16388	29.7
203.14246	10.7
216.60722	2.1
219.13795	8.4
219.17430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02337	0.5
53.03923	0.6
55.01844	1.8
55.05508	4.9
57.03403	0.9
57.07061	0.9
57.56152	0.4
65.03925	0.6
67.05504	5.6
69.03391	0.8
69.06732	0.5
69.07066	6.3
69.51143	1.7
69.51565	1.7
71.04993	4.7
71.96658	0.4
78.76087	0.4
79.05490	8.0
81.07055	24.3
83.04953	1.9
83.08584	1.7
85.02879	1.2
85.06543	2.9
91.04972	0.7
91.05479	11.0
93.07034	10.5
95.04943	2.0
95.08605	5.7
97.06518	1.5
97.10141	0.5
98.20760	0.9
103.05436	1.0
105.07027	37.0
107.04917	0.9
107.08582	7.2
109.06516	2.9
109.10147	5.9
111.04452	2.6
113.05959	0.8
115.05431	2.3
116.06200	0.9
117.07011	15.0
119.08575	28.2
121.06506	4.7
121.10136	9.6
121.90503	0.5
123.08054	1.6
123.11687	1.0
124.95592	0.6
125.05968	0.6
127.07497	1.3
128.06177	1.7
129.05473	0.5
129.06981	5.8
130.07800	2.1
131.04855	0.5
131.08563	34.4
132.09268	0.6
133.06471	1.6
133.10126	9.2
135.08037	2.9
135.11676	3.8
137.09590	0.5
139.07544	1.0
141.06956	3.6
142.07777	6.3
143.08551	5.5
144.09337	7.9
145.06487	2.3
145.10118	14.5
146.06087	0.5
146.07277	0.6
146.10881	0.9
147.08044	1.7
147.11642	2.4
149.05974	1.1
149.09599	2.5
149.13231	1.5
155.08542	9.2
157.10127	42.7
158.07156	0.8
158.10828	1.3
159.08076	13.1
159.11685	100.0
160.12146	1.4
161.09618	10.2
161.13235	5.3
163.07552	5.3
163.11159	2.0
163.14777	0.9
168.09337	3.7
171.11703	0.6
173.09584	1.6
173.13257	17.5
174.06760	1.8
174.13617	0.6
175.11226	1.5
175.14799	2.8
177.00662	0.4
177.09129	6.9
177.12694	3.1
177.16388	0.9
183.11679	24.2
184.12067	0.5
186.06790	0.5
186.10402	0.5
187.07584	0.8
187.11302	0.6
189.09108	2.4
191.10655	0.8
191.14330	2.7
191.17921	1.0
201.05537	0.7
201.09067	0.6
201.12743	16.3
201.16365	7.6
203.14316	10.8
203.16185	0.8
219.06577	0.9
219.10594	5.3
219.13832	57.6
219.17383	58.9
220.14294	0.7
220.17752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
51.02386	0.7
53.03942	1.9
55.01864	1.0
55.05510	6.9
57.07063	1.5
59.04992	1.1
65.03931	1.0
67.05500	23.3
68.05672	0.6
69.03422	2.2
69.06723	0.7
69.07066	7.9
70.06575	0.6
71.04978	2.6
71.08590	0.7
73.80339	0.6
77.03920	0.6
79.05489	16.5
81.07052	32.3
83.04980	3.8
83.08617	2.3
85.02888	1.1
85.06532	1.2
91.05476	21.2
93.03374	0.6
93.07038	32.3
95.04961	3.5
95.08602	100.0
97.02904	2.9
97.06510	3.4
103.05444	2.0
105.03426	3.0
105.07024	33.3
107.04951	6.6
107.08589	24.0
109.06513	3.6
109.10153	6.9
111.04434	5.4
111.08071	1.6
111.93877	0.6
115.05453	3.3
116.06236	1.6
117.07005	19.6
119.04936	0.9
119.08576	45.1
121.06494	7.1
121.10141	27.1
121.11027	1.1
123.04426	0.8
123.08086	2.7
123.11729	1.5
125.05980	7.8
125.09620	1.2
128.06195	1.5
129.07007	8.1
130.07790	1.4
131.04892	2.8
131.08565	37.5
133.06506	2.0
133.09117	1.3
133.10123	23.3
134.10992	0.6
135.04416	2.6
135.08028	4.8
135.11678	6.0
137.05965	3.3
137.09563	0.8
139.07494	5.2
141.06964	5.1
142.07745	4.0
143.08533	4.2
144.05699	1.0
144.09406	2.8
145.06458	5.8
145.10112	24.8
146.10844	0.7
147.08028	1.3
147.11685	8.7
149.05954	6.5
149.09613	2.6
149.13284	1.9
151.07555	1.5
155.08577	2.0
157.06467	1.9
157.07634	0.7
157.10117	13.9
158.07320	2.8
158.10913	2.3
159.04375	0.9
159.08066	11.9
159.11684	47.4
160.05182	1.7
160.12373	0.7
161.09633	2.2
161.13254	20.5
163.07536	7.8
163.11198	2.6
163.14821	1.0
168.09399	1.6
169.06458	1.3
171.08070	0.7
171.11722	1.2
172.08852	1.6
173.06003	1.0
173.09642	5.6
173.13257	38.0
174.06754	7.4
175.07530	2.0
175.11179	0.8
175.14816	9.2
177.09097	4.9
177.12727	2.4
177.16406	0.9
183.11679	3.0
186.06787	1.2
186.10419	2.3
187.11218	1.0
188.12036	0.7
189.09090	11.8
191.10660	2.1
191.14330	2.2
191.18039	1.4
201.09114	6.8
201.12732	56.7
201.16360	8.1
203.14296	17.8
204.09389	0.7
219.02884	0.7
219.06709	0.7
219.10257	20.5
219.13826	66.3
219.17389	76.6
219.21138	1.8
220.17743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
55.05400	3.9
55.05699	1.4
57.03350	0.7
57.06979	1.2
65.03848	0.8
67.05384	9.4
67.05791	2.2
68.25921	0.5
69.03336	1.0
69.06945	8.0
69.07368	1.9
71.04873	1.5
71.20364	0.8
79.05370	12.3
79.05882	1.6
81.06931	18.5
81.07465	2.4
83.04845	1.7
83.08496	2.7
83.72849	0.5
85.02790	0.7
85.06438	1.0
91.05356	15.4
91.05993	1.6
93.06922	17.4
93.07549	1.5
95.04844	3.1
95.08480	22.8
95.09147	1.8
97.06409	2.1
97.06971	0.5
97.10052	0.5
103.05373	1.2
104.53562	0.4
105.07029	26.0
105.07667	1.7
107.04952	4.3
107.08595	20.2
109.06515	3.5
109.10155	7.7
111.04317	3.3
111.07967	0.5
115.05354	1.8
116.06174	0.7
117.07022	20.3
119.08579	39.3
119.09385	1.7
121.06494	3.9
121.10140	34.1
121.10970	1.3
122.10808	1.7
123.04340	0.5
123.07964	2.2
123.11704	4.8
125.05997	2.8
125.09576	0.8
128.06143	0.8
129.07002	3.7
130.07677	1.8
131.04839	0.9
131.08569	27.6
133.06412	1.1
133.10127	31.1
135.04413	0.5
135.08058	4.7
135.11691	6.4
137.05910	1.3
137.09531	1.1
139.07472	1.2
141.06882	1.1
142.07764	2.6
143.08553	5.3
144.09343	5.0
145.06477	6.3
145.10124	22.0
147.07968	1.1
147.10667	0.6
147.11679	6.6
149.05991	4.0
149.09534	2.1
149.13167	1.8
151.07480	1.9
152.38223	0.5
155.08511	0.9
156.09286	0.9
157.08994	0.6
157.10133	9.6
158.10918	6.6
159.08075	6.1
159.11693	37.5
160.12361	1.3
161.09564	1.3
161.13246	5.3
163.07547	18.0
163.11183	3.2
163.14783	1.3
164.07845	0.5
168.09306	1.6
171.07948	0.9
171.11612	1.7
172.08780	0.9
173.09648	2.4
173.13268	42.2
175.14825	23.7
176.11987	0.7
177.09161	3.2
177.12697	2.1
177.16307	1.0
183.11674	2.1
186.10431	4.6
191.14374	2.2
191.17908	1.7
201.12749	100.0
201.16324	7.8
202.13091	1.0
203.14308	8.0
219.13840	70.4
219.17390	64.9
220.14203	0.9
220.17905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03942	1.1
53.07073	0.6
55.01873	0.7
55.05517	7.4
57.03422	0.6
57.07072	2.5
64.43527	0.6
65.03952	1.7
67.05508	20.6
69.03442	1.2
69.07073	10.6
71.04994	2.3
77.03885	0.6
77.99194	0.7
79.05496	14.2
81.07059	31.8
83.04992	3.9
83.08628	2.0
85.06553	1.2
89.06039	1.3
91.05483	16.6
92.64992	0.7
93.07050	27.3
95.04964	4.2
95.08611	78.6
97.02902	1.0
97.06551	2.3
97.10213	1.0
103.05494	1.2
105.07035	31.3
105.90179	0.6
107.04941	4.3
107.08595	21.4
109.06539	4.4
109.10170	8.6
111.04440	4.9
111.08098	2.1
115.05470	2.4
117.07015	14.6
119.04952	1.5
119.08588	39.1
121.06503	7.0
121.10149	26.8
122.10955	1.9
123.08084	2.8
123.11725	5.3
125.05993	6.3
128.06245	0.8
129.06999	4.0
130.07823	1.3
131.04956	1.4
131.08574	29.2
133.06503	1.3
133.10136	24.2
135.04408	0.7
135.08049	7.3
135.11671	6.9
137.06006	2.3
137.09624	1.2
137.13315	0.8
139.07561	3.5
141.07030	0.7
142.07811	1.6
143.08582	4.3
144.09349	3.3
145.06528	4.1
145.07520	0.6
145.10127	21.4
146.06000	0.8
147.08058	1.6
147.11682	8.2
149.06030	3.0
149.09663	2.8
149.13312	2.2
151.07571	1.9
155.08565	1.3
157.10139	7.3
158.10887	3.4
159.08107	7.5
159.11699	32.5
160.12444	1.3
161.09682	1.3
161.13263	15.3
163.07558	7.3
163.11200	5.4
163.14899	0.8
168.09358	1.0
171.11728	1.7
172.08913	1.2
173.09688	2.4
173.13278	31.7
175.14853	13.0
175.16283	1.0
176.12146	0.7
177.09148	2.6
177.12856	2.3
177.16457	2.1
183.11731	3.2
186.10451	2.5
187.11148	1.0
190.95282	0.9
191.10817	0.7
191.14368	1.9
191.18027	1.3
201.12758	57.1
201.16362	13.9
202.13148	1.1
203.14340	17.6
219.06610	1.3
219.10358	2.4
219.13893	54.3
219.17426	100.0
220.14227	0.7
220.17975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03931	0.8
55.01866	0.7
55.05511	5.4
56.96567	4.5
57.03418	0.8
57.07066	1.8
59.04988	0.4
59.22804	0.3
65.03942	1.1
67.05503	11.0
69.03410	1.0
69.06717	0.7
69.07068	8.8
70.99187	0.9
71.04985	1.5
77.03947	0.4
79.05489	13.5
81.03427	0.9
81.07056	19.6
83.04989	3.2
83.08607	2.7
85.02906	0.7
85.06556	0.8
91.05478	19.8
93.07045	21.6
94.07800	0.4
95.04983	3.1
95.08607	23.8
97.02874	0.5
97.06531	2.7
97.99182	0.5
99.04443	0.6
103.05473	1.9
105.07034	31.0
107.04960	3.5
107.08592	25.9
109.06530	2.6
109.10159	7.7
111.04442	4.8
111.08054	1.4
115.05432	2.1
116.06261	0.5
117.07022	20.7
119.04967	0.6
119.08583	47.8
120.09380	0.5
121.06532	4.7
121.10143	40.4
122.10916	2.6
123.08064	1.8
123.11712	3.2
125.05981	3.3
125.09662	0.8
128.06212	1.3
129.06996	4.8
130.07756	1.9
131.04947	1.3
131.08569	32.3
132.08929	0.4
133.06494	1.3
133.10130	37.3
134.01175	0.4
134.10934	0.6
135.04407	1.0
135.08063	4.6
135.11699	4.9
137.05963	1.1
137.09625	1.0
137.13252	0.4
139.07556	1.0
141.06995	0.6
142.07767	2.2
143.08571	6.5
144.09329	5.4
145.06500	6.0
145.10123	24.7
147.08055	0.9
147.11685	6.8
149.05974	4.1
149.09610	1.6
149.13260	1.2
151.07571	2.2
155.08553	0.9
156.09302	1.1
157.10135	10.3
158.07222	0.8
158.09695	0.4
158.10928	8.1
159.08081	6.1
159.11696	37.3
160.12411	1.1
161.09602	1.6
161.13258	8.8
163.03841	0.4
163.07541	11.8
163.11206	3.0
163.14842	0.8
168.09377	1.7
171.08099	1.1
171.11694	1.7
172.08908	2.2
172.94281	1.6
173.09740	2.8
173.13269	41.4
174.13715	0.8
175.14825	25.1
177.09113	3.5
177.12775	1.0
177.16402	0.7
183.11780	2.6
186.10384	4.9
187.10951	0.4
190.95247	3.7
191.10666	0.5
191.14348	2.2
191.17955	1.0
195.95901	0.6
198.60182	0.4
199.11147	0.4
201.12750	100.0
201.16350	7.4
202.13087	1.2
203.14308	10.0
204.59207	0.5
205.15866	0.5
208.96286	0.7
213.96904	1.4
219.13846	64.5
219.17378	47.2
220.14174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03924	1.1
55.05511	5.1
57.07051	1.5
59.05001	0.7
60.55168	0.7
67.05505	10.8
68.56083	0.6
69.03409	1.3
69.07069	7.0
70.78952	1.3
70.79285	1.3
71.04954	0.8
76.37395	0.6
79.05490	10.2
81.03392	0.9
81.07054	17.7
83.04932	2.0
83.08575	2.1
85.06541	0.9
88.09873	0.7
91.05481	18.0
93.07036	19.9
94.73564	0.6
95.04929	2.4
95.08606	25.7
96.04310	0.6
97.02852	0.8
97.06480	1.4
98.39915	0.6
103.05449	1.4
105.07027	25.7
107.04947	4.6
107.08595	20.7
109.06477	2.8
109.10146	5.1
111.04422	3.3
115.05443	1.8
116.06093	0.7
117.07017	21.3
119.08578	39.3
119.46568	0.7
121.06519	4.4
121.10140	34.3
122.10892	1.7
123.08008	1.8
123.11662	1.3
125.05972	3.6
129.07018	3.7
130.07742	1.2
131.04895	1.5
131.08568	28.1
133.06477	1.7
133.10124	32.1
135.08032	4.5
135.11714	3.5
137.05952	1.7
139.07495	0.8
141.06955	1.2
142.07761	1.6
143.08554	6.1
144.09358	5.0
145.06500	6.8
145.09053	1.1
145.10117	18.3
146.10890	0.8
147.08058	0.7
147.11707	4.9
149.05984	3.6
149.09549	1.3
149.13278	1.1
151.07542	3.9
157.10152	10.2
158.10939	7.0
159.07059	0.6
159.08092	6.5
159.11694	37.0
160.12418	1.9
161.09579	1.2
161.13246	3.4
163.07550	17.4
163.11174	2.1
163.14745	1.0
168.09348	1.8
171.08093	1.1
171.11691	1.0
172.08791	2.0
173.09595	2.4
173.13261	42.6
175.14821	27.1
175.15997	0.4
177.09085	3.9
177.12669	1.3
183.11667	2.6
186.10376	3.5
191.14276	3.0
201.12741	100.0
201.16499	2.8
202.13091	1.2
203.14320	5.1
219.13811	70.9
219.17297	25.0
235.78357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.05518	4.1
57.07042	1.1
59.05328	0.5
65.03899	0.9
67.05502	10.0
69.03391	0.8
69.07067	7.1
71.04961	1.0
71.36134	1.1
79.05496	11.6
81.03368	0.6
81.07056	18.1
83.04938	1.8
83.08575	2.3
91.05477	14.9
93.07042	16.9
95.04955	3.4
95.08607	24.8
97.02841	0.6
97.06492	1.6
99.04383	0.7
103.05429	1.4
105.07031	25.2
107.04951	3.2
107.07874	1.1
107.08593	19.8
109.06474	2.2
109.10164	4.6
111.04417	3.8
115.05441	1.9
116.06235	0.6
117.06224	1.0
117.07021	19.8
119.08580	42.3
120.08819	0.6
121.05795	0.4
121.06505	3.8
121.10143	30.9
122.10870	2.4
123.04418	0.6
123.08007	1.9
123.11671	1.1
125.05999	3.3
128.06201	1.0
129.06996	3.3
130.07811	0.9
131.04918	1.3
131.08568	29.9
133.06422	1.5
133.10130	31.5
135.04379	1.4
135.08044	4.6
135.11646	2.3
137.05942	1.5
139.07544	1.2
141.06982	1.2
142.07756	2.3
143.08565	6.4
144.09372	4.6
145.06476	6.3
145.09076	1.2
145.10132	18.5
147.08020	0.9
147.11688	5.5
147.97044	0.6
149.05980	4.1
149.09599	1.0
149.13229	1.5
151.07553	3.0
155.08524	1.4
156.09337	0.9
157.10130	9.7
158.10934	9.4
159.08090	7.2
159.11691	39.8
161.09624	1.1
161.13203	2.7
163.07555	17.9
163.11172	1.1
163.14780	1.3
168.09340	0.8
171.08052	1.2
171.11690	1.9
172.08772	2.0
173.09624	1.9
173.13266	55.3
175.14827	23.1
177.09102	4.3
177.12749	1.7
183.11737	2.7
186.10429	4.7
187.11151	0.8
191.10667	0.9
191.14276	3.5
201.12749	100.0
201.16513	2.3
202.13007	1.0
203.14311	4.5
219.13818	70.6
219.17290	22.8
220.14163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1381
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
51.02354	1.1
53.03917	1.6
55.05506	4.6
57.03407	0.7
57.07030	1.8
59.61159	0.6
65.03883	0.7
67.05503	9.8
69.03409	1.6
69.07071	8.7
69.07418	1.4
69.67148	1.2
69.67561	4.0
70.48176	0.9
71.04957	1.1
79.05487	11.2
81.07053	20.1
83.04948	2.0
83.08565	2.6
85.02849	0.7
85.06518	1.0
87.04452	0.7
91.05476	20.9
93.07046	19.8
95.04926	3.0
95.08605	22.4
97.06489	1.4
98.21474	1.3
103.05431	2.2
105.07028	39.7
107.04967	4.0
107.07883	1.1
107.08592	20.0
108.77511	0.7
109.06482	2.5
109.10159	5.1
111.04427	4.5
115.05410	2.7
116.06220	1.4
117.07016	25.0
119.08578	57.0
120.09355	1.0
121.06503	4.1
121.10143	34.1
122.10860	0.9
123.08004	1.5
123.11726	1.3
125.05993	3.6
128.06224	0.7
129.06242	0.6
129.07019	5.9
130.07755	2.1
131.04890	2.2
131.08565	40.3
132.97130	0.6
133.06488	1.8
133.10130	35.9
135.08078	5.2
135.11710	4.3
137.06003	1.1
137.09518	0.7
139.07524	1.6
141.07019	0.6
142.07730	1.9
143.08551	9.0
144.09351	7.2
145.06467	8.6
145.10123	27.0
147.08052	1.0
147.11688	7.2
149.05977	6.8
149.09608	1.9
149.13191	1.5
151.07492	2.4
155.08430	1.5
156.09305	1.9
157.08928	1.0
157.10126	11.0
158.09889	0.9
158.10931	10.0
159.08075	6.2
159.11693	49.4
160.12221	1.1
161.09625	0.7
161.13223	3.7
163.07544	18.1
163.08919	0.9
163.11160	2.6
168.09311	2.0
171.08025	0.9
171.11678	1.8
172.08786	2.1
173.09615	2.8
173.13263	82.9
174.13654	1.2
175.14821	26.8
177.09132	4.1
177.12683	0.7
178.35373	0.7
183.11702	4.1
186.10397	6.1
191.14383	3.2
201.12743	100.0
201.16304	5.8
202.13098	1.2
203.14301	4.7
219.13812	85.1
219.17313	31.5
220.14198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.134
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
50.88335	0.4
55.05518	0.6
56.96548	1.4
60.04525	100.0
67.86774	0.5
69.07051	0.6
69.92815	1.0
69.93231	2.6
70.02960	1.0
70.05357	0.6
71.01357	0.5
72.08155	1.0
79.05452	0.5
81.07052	1.0
83.04977	0.6
84.08165	1.1
85.02925	0.5
86.09704	68.2
87.05585	3.6
90.02801	0.6
91.05512	0.7
92.76698	0.5
93.07048	0.6
95.08610	1.1
98.97561	2.4
103.03909	0.5
105.07076	0.8
107.08585	0.7
116.98638	2.2
119.08569	1.6
121.10164	1.5
125.17074	0.5
126.09134	0.6
128.10745	2.6
131.08589	0.9
132.10205	56.1
133.10109	0.9
134.99657	0.9
135.11644	0.5
145.06512	0.5
145.10089	0.9
147.11740	0.5
153.75029	0.5
154.94257	0.9
157.07617	0.6
158.11725	0.7
159.02887	0.6
159.11766	0.7
161.09581	0.6
161.13257	1.4
172.95255	2.2
173.12860	31.1
190.96442	1.0
201.12347	7.1
201.16232	0.6
203.14294	5.9
219.06799	0.7
219.11589	0.5
219.13417	18.3
219.17424	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
51.02337	0.5
53.03923	0.6
55.01844	1.8
55.05508	4.9
57.03403	0.9
57.07061	0.9
57.56152	0.4
65.03925	0.6
67.05504	5.6
69.03391	0.8
69.06732	0.5
69.07066	6.3
69.51143	1.7
69.51565	1.7
71.04993	4.7
71.96658	0.4
78.76087	0.4
79.05490	8.0
81.07055	24.3
83.04953	1.9
83.08584	1.7
85.02879	1.2
85.06543	2.9
91.04972	0.7
91.05479	11.0
93.07034	10.5
95.04943	2.0
95.08605	5.7
97.06518	1.5
97.10141	0.5
98.20760	0.9
103.05436	1.0
105.07027	37.0
107.04917	0.9
107.08582	7.2
109.06516	2.9
109.10147	5.9
111.04452	2.6
113.05959	0.8
115.05431	2.3
116.06200	0.9
117.07011	15.0
119.08575	28.2
121.06506	4.7
121.10136	9.6
121.90503	0.5
123.08054	1.6
123.11687	1.0
124.95592	0.6
125.05968	0.6
127.07497	1.3
128.06177	1.7
129.05473	0.5
129.06981	5.8
130.07800	2.1
131.04855	0.5
131.08563	34.4
132.09268	0.6
133.06471	1.6
133.10126	9.2
135.08037	2.9
135.11676	3.8
137.09590	0.5
139.07544	1.0
141.06956	3.6
142.07777	6.3
143.08551	5.5
144.09337	7.9
145.06487	2.3
145.10118	14.5
146.06087	0.5
146.07277	0.6
146.10881	0.9
147.08044	1.7
147.11642	2.4
149.05974	1.1
149.09599	2.5
149.13231	1.5
155.08542	9.2
157.10127	42.7
158.07156	0.8
158.10828	1.3
159.08076	13.1
159.11685	100.0
160.12146	1.4
161.09618	10.2
161.13235	5.3
163.07552	5.3
163.11159	2.0
163.14777	0.9
168.09337	3.7
171.11703	0.6
173.09584	1.6
173.13257	17.5
174.06760	1.8
174.13617	0.6
175.11226	1.5
175.14799	2.8
177.00662	0.4
177.09129	6.9
177.12694	3.1
177.16388	0.9
183.11679	24.2
184.12067	0.5
186.06790	0.5
186.10402	0.5
187.07584	0.8
187.11302	0.6
189.09108	2.4
191.10655	0.8
191.14330	2.7
191.17921	1.0
201.05537	0.7
201.09067	0.6
201.12743	16.3
201.16365	7.6
203.14316	10.8
203.16185	0.8
219.06577	0.9
219.10594	5.3
219.13832	57.6
219.17383	58.9
220.14294	0.7
220.17752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03939	1.3
55.01854	1.5
55.05518	6.9
56.96562	1.8
57.07065	1.7
65.03936	1.2
67.05521	8.7
69.03455	1.7
69.07086	7.6
69.07392	1.6
69.34021	5.8
69.34447	6.0
73.78938	1.2
79.05498	6.9
81.07062	16.3
83.04993	2.7
83.08612	1.5
83.90865	1.2
85.06554	2.3
91.05474	16.5
93.07040	14.0
95.04948	1.6
95.08621	12.6
97.06521	1.9
98.97572	1.3
104.12632	1.3
105.07034	22.6
107.04952	4.0
107.08598	16.5
107.78381	1.3
109.06502	3.1
109.10149	7.6
111.08058	1.7
114.28719	1.2
115.05443	5.2
116.06232	4.0
117.07032	10.0
119.08597	22.5
120.08110	1.3
121.06492	2.4
121.10152	16.6
123.08083	1.5
123.11684	2.9
125.09617	1.9
128.06165	1.5
129.07004	9.1
129.65106	1.2
130.07774	1.8
131.04921	5.4
131.08585	30.4
133.06480	3.7
133.10147	14.7
135.08104	2.9
135.11700	7.5
137.09639	2.8
141.07013	10.3
143.04994	2.0
143.08553	3.6
144.05730	16.9
144.09357	2.0
145.06500	4.5
145.10129	23.1
147.07985	1.8
147.11679	6.1
149.06009	6.9
149.09544	1.4
152.93501	1.2
153.06995	3.9
154.94147	3.2
155.08578	6.1
157.06494	10.3
157.10139	2.7
158.07231	3.6
158.10886	1.9
159.02905	2.0
159.08073	38.2
159.11707	26.5
160.05286	1.6
161.06020	2.5
161.09599	3.4
161.13286	19.8
163.07553	1.7
163.11162	4.4
165.07008	6.0
168.05733	5.9
169.07675	1.8
172.95279	11.8
173.06042	1.8
173.09665	3.4
173.13298	7.4
174.06798	10.0
175.07506	6.1
175.14825	4.1
176.14314	2.7
177.09108	1.3
177.12773	2.2
183.08066	32.7
187.07593	1.5
189.09137	8.9
190.96339	7.8
191.17906	2.3
195.41425	1.2
201.09082	10.1
201.12752	4.3
201.16382	18.4
203.14336	17.4
219.06657	2.9
219.10179	67.6
219.13821	7.7
219.17453	100.0
220.10541	1.9
220.16885	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	219.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.9
57.07069	2.8
67.05499	6.5
69.07063	4.5
69.94684	3.1
69.95087	6.4
71.04981	4.0
79.05518	7.5
81.07063	19.7
83.04972	3.8
83.08598	4.3
85.02821	1.7
91.05482	11.1
93.07040	13.2
95.08611	9.5
97.06507	3.9
103.88397	1.5
105.07034	18.4
107.04958	4.0
107.08598	13.7
109.10147	6.4
111.08042	1.8
115.05431	3.3
117.07027	6.1
118.92097	2.1
119.08590	15.9
121.06482	1.6
121.10180	11.2
121.59582	1.6
123.08083	3.2
123.11723	2.6
125.09628	3.3
129.07011	5.8
131.04898	2.2
131.08575	22.1
133.06508	2.0
133.10123	14.4
135.08081	3.5
135.11685	5.6
136.93127	15.9
137.09578	1.9
141.06967	5.5
143.08490	1.7
144.05690	7.7
145.10117	17.7
147.11694	4.8
149.05952	5.0
149.09586	2.6
153.06940	2.1
153.94858	1.8
154.94179	42.6
155.08528	5.4
157.06474	6.8
158.07233	2.4
159.08061	23.0
159.11711	19.8
161.09535	2.1
161.13301	8.2
163.11163	3.8
165.06984	4.0
168.05736	3.7
172.95248	100.0
173.13264	8.5
174.06790	3.2
175.07436	2.0
175.14842	4.1
177.12708	1.6
177.95700	2.0
181.82570	1.5
183.08067	22.8
187.07491	1.9
189.09105	6.9
190.96298	72.2
190.98053	3.5
195.96793	14.2
199.24947	1.6
201.09219	7.6
201.10774	1.6
201.12735	3.7
201.16388	14.5
203.14328	17.1
213.97926	7.5
218.98434	1.5
219.08156	3.6
219.10152	30.3
219.13811	9.4
219.17441	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	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40322	0.9
55.01871	5.1
56.96562	1.9
61.02643	1.4
61.02928	19.9
67.05501	1.1
68.83311	0.8
69.03424	1.3
69.07047	1.1
71.01357	34.3
71.29085	1.4
71.29429	1.2
75.04482	58.6
81.07025	1.4
83.04982	1.2
84.08132	1.5
84.99236	1.4
85.02920	1.1
87.04471	18.6
89.02394	8.5
89.62378	0.8
91.05468	3.3
93.07027	1.8
97.02885	1.3
98.97581	3.1
101.06052	1.1
103.03942	65.5
105.07004	2.2
107.08582	1.0
116.98612	2.6
119.04939	1.5
119.08600	2.7
121.10136	3.4
131.03406	15.3
133.10120	2.3
134.99692	1.5
137.09499	1.2
145.10114	2.0
146.06009	1.6
147.04442	7.4
147.05449	1.6
147.11668	1.3
159.02895	100.0
161.04515	1.1
161.13219	1.7
167.52162	0.9
172.95357	1.6
173.13174	1.3
175.14755	1.9
187.02386	12.0
196.68427	0.9
203.14345	14.4
219.05020	16.1
219.13997	1.9
219.17441	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.80070	1.3
57.03440	1.1
57.71708	1.0
60.79423	1.0
67.05506	2.2
71.30524	2.1
73.37177	1.0
76.73725	1.0
81.07032	4.0
90.88264	1.1
91.05482	8.8
93.07041	2.6
95.08612	2.5
103.05437	1.8
105.07019	4.9
107.08575	2.5
109.10170	1.8
112.70500	0.9
115.05460	7.1
116.06211	3.4
117.07005	4.2
118.92117	1.3
119.08585	3.4
121.10117	2.9
128.06221	6.6
129.07013	35.4
130.07794	1.9
131.04942	7.5
131.07571	1.9
131.08566	32.1
132.05713	1.0
133.10139	4.1
135.11736	1.5
136.93088	5.7
137.05956	2.4
141.06993	29.8
143.04874	1.7
143.08601	2.6
144.05687	4.5
145.06531	6.9
145.10112	5.2
146.07249	3.6
147.11661	1.3
148.05183	1.4
154.94151	16.0
157.06496	20.0
157.10112	1.4
158.07286	17.4
159.04443	3.1
159.08067	25.0
159.11700	4.7
160.05183	4.7
161.06004	1.5
161.09657	2.8
161.13245	4.2
163.07594	1.3
169.06479	12.3
169.07614	1.3
170.07237	4.9
172.95242	36.4
173.06039	3.4
173.09679	1.5
173.13330	2.5
174.06767	69.1
175.07518	9.6
185.05939	1.4
186.06796	16.7
187.07535	2.1
188.08304	4.7
189.09113	89.4
190.96280	20.6
191.10684	5.6
195.96841	4.7
201.09113	35.8
201.16388	3.4
203.14355	6.2
213.97943	2.4
219.10172	100.0
219.17393	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	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67931	91.7
69.68345	53.3
78.09407	22.6
81.60073	21.1
90.58815	20.7
98.21448	43.2
102.09200	100.0
201.04837	20.8
219.02675	75.3
219.17490	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	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.0
55.05510	1.2
55.48001	0.7
56.96550	1.5
61.02642	1.0
61.02928	14.3
67.05527	0.7
69.85436	3.7
71.00958	1.3
71.01355	26.5
75.04482	41.2
81.07050	0.9
84.99245	0.7
85.61281	0.6
87.04468	13.2
89.02394	8.5
91.05482	1.2
93.07005	0.8
95.08570	1.1
98.97596	1.0
101.06033	0.7
103.03943	53.4
105.07029	1.0
116.98616	1.2
119.04916	0.9
119.08581	2.1
121.10149	2.0
131.03391	12.0
133.10126	1.4
134.99695	0.8
143.00168	0.7
145.06522	0.7
147.04396	2.9
156.77968	0.6
159.02895	100.0
161.04517	0.7
173.09529	0.7
175.08682	0.8
175.14769	1.1
182.55373	0.6
187.02370	7.7
203.14258	7.2
218.68661	0.7
219.05008	12.2
219.17439	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	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58116	3.6
60.04517	13.4
69.07053	3.7
70.79972	12.0
72.08154	29.2
74.06057	11.1
79.05487	5.3
84.04516	6.0
84.08125	4.0
85.02912	4.3
86.09711	51.4
90.05551	4.7
105.41484	3.7
108.56676	4.2
119.01894	6.2
119.08543	10.9
121.01631	8.5
121.10188	6.0
131.03304	4.5
132.10210	9.5
133.10133	5.0
147.03181	4.1
151.39668	4.1
161.13232	5.1
166.73099	4.0
173.02991	6.7
173.12932	7.9
181.57309	3.8
198.63997	3.7
202.52376	3.9
203.14284	32.2
209.03264	5.7
219.02669	17.6
219.08578	8.0
219.13632	8.1
219.17438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1953
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
55.05513	23.1
57.07080	2.0
59.04995	2.1
60.05655	1.3
65.03931	1.3
66.86563	1.1
67.05515	18.5
69.07077	13.5
69.63628	9.1
73.02903	1.7
75.95203	1.2
79.05492	7.1
81.07060	26.8
83.04989	28.6
83.08613	6.5
85.05186	1.2
87.04475	2.6
89.02386	2.7
89.06026	5.2
91.05486	9.2
93.07055	17.5
95.04974	1.9
95.08611	51.8
96.08925	1.5
97.10180	3.6
99.04440	2.3
101.06026	12.1
105.07032	32.8
107.07861	2.1
107.08598	37.3
109.10166	54.5
110.07242	1.1
111.04452	35.3
111.11689	1.2
113.06015	4.3
115.98456	1.1
117.06986	2.3
119.08588	36.8
121.10155	38.4
121.11016	1.9
123.11704	24.1
127.07542	4.6
128.06236	1.4
129.05487	12.8
129.07004	2.5
131.08549	5.3
133.07672	1.5
133.10139	30.4
135.11714	10.4
137.13237	3.3
142.07826	2.0
143.08572	3.1
145.10130	2.7
147.06561	2.4
147.11696	32.3
149.13266	2.7
155.07043	40.3
156.09291	1.6
157.10194	2.9
158.07164	3.6
159.11684	6.1
161.09669	2.5
161.13264	30.1
161.14606	1.8
171.11659	2.6
173.08110	35.9
173.13350	1.6
175.11188	1.6
175.14838	11.7
178.80693	1.2
189.16322	5.7
199.09650	3.8
199.14839	3.4
217.10625	27.4
217.15939	8.6
217.19530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03938	1.3
55.01864	0.9
55.05507	24.8
55.50736	0.8
57.07066	2.4
59.04989	2.1
65.03928	1.0
67.05171	1.0
67.05502	18.5
68.23547	0.7
69.03410	1.8
69.07063	21.4
70.00340	2.9
71.04974	0.8
73.02890	1.1
73.06569	1.1
79.05482	6.8
80.83764	0.8
81.07053	35.3
83.04977	29.5
83.08611	7.2
85.02913	1.1
85.06515	2.0
87.04451	2.5
89.02370	2.4
89.06033	8.3
91.05474	13.7
93.07040	15.6
95.04963	2.7
95.08604	39.0
95.54369	0.7
97.06515	1.4
97.10149	2.8
98.98505	0.8
99.04419	1.9
101.05347	1.3
101.06007	12.6
105.07027	42.4
107.08594	29.2
109.06523	1.5
109.10152	40.2
111.04436	45.1
111.08034	0.9
113.06017	5.0
117.06985	2.7
119.08576	38.7
121.10139	23.7
123.08073	0.9
123.11710	14.9
127.07558	4.9
128.06203	1.5
129.04503	0.9
129.05476	15.6
129.06932	4.2
129.41530	0.7
131.08589	4.8
133.10123	27.9
135.08028	1.3
135.11688	11.1
137.13254	3.6
139.01488	0.9
142.07747	2.1
143.08539	2.9
145.10129	4.1
147.06564	0.8
147.11682	36.2
149.13242	3.5
155.07025	53.5
156.05754	1.2
156.07365	1.8
156.09315	1.3
157.10106	5.9
159.08037	1.0
159.11670	8.7
161.09610	2.5
161.13246	41.7
171.11679	4.1
173.08101	46.3
173.13194	1.8
174.08411	1.6
174.10332	1.2
175.11115	3.1
175.14830	11.6
189.09039	1.9
189.16385	5.4
199.07988	1.3
199.09630	6.2
199.11343	1.9
199.14854	3.9
217.08673	3.3
217.10638	41.9
217.12378	3.7
217.15897	10.3
217.19501	100.0
218.11043	2.1
218.19693	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33342	1.4
55.01861	3.0
55.05259	2.2
55.05510	35.4
56.96537	1.7
57.07059	3.7
59.05006	2.5
65.03936	1.7
67.05501	13.4
69.03423	3.4
69.07070	7.5
69.29070	5.6
69.29498	10.7
71.08611	1.3
73.02912	2.6
73.75890	1.4
74.66383	1.3
79.05493	7.7
81.07054	20.9
83.04980	46.5
83.08604	5.6
85.06538	3.2
87.04472	2.9
89.02363	2.4
89.06028	12.5
91.05471	20.3
93.07041	19.9
95.04942	3.6
95.08605	27.2
99.04433	1.8
101.06016	22.2
101.74446	1.7
103.05446	2.7
105.07031	46.6
106.52857	1.6
107.08588	23.9
109.06564	1.9
109.10160	29.5
111.04441	62.6
111.08074	1.8
113.05985	6.3
115.05425	3.8
117.07037	7.3
119.08577	100.0
120.09357	3.4
121.10146	25.1
123.11719	13.5
127.07561	10.2
128.06267	7.0
129.05492	21.9
129.06999	14.7
130.07802	3.0
131.08549	19.0
133.06470	1.7
133.10123	29.7
135.11674	6.9
141.06970	7.5
142.07780	11.5
143.08554	23.8
144.09334	2.8
145.10101	13.8
147.06482	1.8
147.08012	4.1
147.11684	26.4
149.13286	2.3
155.07030	78.5
155.08397	3.8
156.07390	2.6
156.09357	38.2
157.10123	35.8
158.10867	4.5
159.11673	13.7
161.09656	7.4
161.11989	1.9
161.13254	31.4
161.14581	1.7
166.07791	3.1
171.11687	58.6
171.13142	3.3
172.12010	1.8
173.08104	69.3
173.13249	15.7
174.13757	1.5
175.07562	2.1
175.11183	5.3
175.14859	12.0
181.10123	8.8
184.08910	7.2
189.12787	6.8
189.16432	7.3
199.09651	7.0
199.11194	77.8
199.14859	5.8
217.08351	2.1
217.08795	1.3
217.10666	50.6
217.12306	32.4
217.15910	26.9
217.19492	65.8
217.21593	3.5
218.16313	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
51.75705	1.0
55.01866	1.9
55.05268	1.6
55.05509	20.6
57.03438	1.7
57.07071	2.5
59.04989	2.1
63.65481	1.0
67.05508	9.6
69.03439	6.4
69.07064	9.8
69.55492	1.1
70.50947	4.3
71.04975	3.2
73.02921	1.8
79.05485	8.4
81.07058	15.4
83.04981	26.4
83.08595	3.2
85.02876	1.5
85.06569	2.7
87.04443	1.9
89.02377	2.6
89.06026	5.1
91.05488	11.8
93.07040	19.1
95.04971	38.8
95.08613	20.9
97.02912	1.3
97.06528	7.2
99.04462	1.9
101.06022	11.3
105.07030	44.3
107.08592	20.0
109.06527	10.8
109.10149	12.8
111.03709	2.4
111.04443	37.7
111.08041	3.1
113.05997	3.8
117.07018	4.6
119.04961	1.3
119.08588	38.1
121.06496	5.6
121.10144	49.6
123.08080	9.3
123.11686	2.5
127.07528	5.6
128.06227	2.8
129.05481	12.3
129.06931	5.3
131.08575	11.9
133.06505	2.4
133.10129	27.4
135.08049	3.7
135.11690	4.5
137.06021	1.5
137.09576	2.4
139.01544	1.5
142.07802	6.2
143.08562	12.2
144.09273	1.8
145.10120	10.7
147.08058	11.1
147.11711	9.3
149.09622	1.7
155.07028	45.9
156.09338	3.5
157.10138	20.9
158.10892	2.1
159.08047	1.5
159.11693	13.0
161.09612	23.0
161.13223	3.5
169.10112	2.0
170.10968	1.8
171.11697	8.8
173.08109	40.3
173.09473	1.9
173.13255	10.5
174.18643	1.5
175.11163	5.1
175.14804	6.0
184.12468	2.7
187.14833	2.6
189.09091	1.8
189.16377	11.3
199.09676	4.0
199.11293	1.3
199.14819	28.9
217.08679	3.4
217.10695	32.7
217.12357	3.4
217.15872	100.0
218.16292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
51.96629	1.1
53.03941	1.7
53.63354	1.3
55.01868	2.4
55.05509	36.2
57.03430	3.2
57.07048	2.6
59.04984	4.1
61.21763	1.4
63.41846	1.2
65.03925	1.7
67.05505	16.9
69.03417	5.1
69.07064	11.0
71.04967	1.3
71.58039	2.2
73.02924	7.1
78.71320	1.3
79.05501	11.7
81.03406	1.5
81.06590	1.2
81.07060	25.5
83.04980	47.1
83.08608	3.8
85.02898	2.8
85.06559	5.8
87.04453	4.5
89.02388	3.5
89.06027	13.7
91.05470	11.7
93.07037	26.9
95.04971	39.0
95.08604	35.8
97.02905	2.1
97.06535	6.1
98.98462	2.2
99.04459	3.5
101.06020	23.3
105.07025	39.0
107.04970	1.4
107.08603	26.8
109.06529	9.0
109.10159	32.3
111.04442	75.9
111.08068	2.3
113.06040	6.4
115.05510	1.9
117.07019	5.3
119.06134	1.2
119.08576	35.4
121.06487	3.3
121.10143	56.5
123.08064	11.0
123.11707	14.0
127.07554	8.9
128.06223	4.2
129.04504	1.5
129.05482	29.3
129.06941	8.1
131.08559	16.0
133.06470	1.5
133.09123	1.5
133.10126	25.4
135.11684	7.2
137.06007	1.6
137.09607	2.7
137.13261	1.4
139.03911	1.8
141.07028	1.1
142.07814	5.7
143.08548	13.0
145.06477	2.2
145.10115	9.9
147.06520	2.1
147.08052	5.9
147.11678	19.5
149.09590	1.7
155.07030	100.0
155.99661	1.2
156.05766	1.5
156.09328	3.4
157.10117	18.7
159.08093	1.5
159.11694	16.5
161.09622	18.6
161.13251	20.3
170.10927	2.2
171.11679	12.8
173.08098	80.6
173.13222	7.6
175.07655	1.3
175.09923	1.2
175.11168	6.5
175.14786	6.3
184.12483	1.9
189.09033	2.4
189.12794	2.4
189.16396	7.2
193.77437	1.2
199.09650	7.7
199.11311	4.0
199.14815	26.4
217.05026	1.5
217.08699	4.2
217.10678	70.4
217.12473	7.6
217.15897	75.1
217.19456	60.4
218.11156	1.3
234.82964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
50.80220	1.7
53.03930	4.2
55.01863	2.1
55.05262	2.6
55.05509	41.7
56.96546	5.1
57.03435	1.7
57.07077	8.1
59.04983	6.3
65.03936	2.4
67.05496	19.2
69.03400	3.5
69.06733	1.7
69.07066	21.0
69.96481	7.0
73.02917	1.9
77.24988	1.7
79.05486	19.6
81.07053	52.6
83.04975	51.4
83.08594	6.4
85.06535	5.2
87.04455	3.4
89.02385	4.0
89.06029	13.1
91.05476	44.9
93.07027	25.1
95.04949	6.3
95.08610	24.2
97.06526	3.4
97.10197	2.2
98.08692	1.6
99.04440	2.3
101.06010	19.5
103.05441	2.8
105.07027	100.0
107.04946	10.1
107.08588	20.8
109.06511	23.7
109.10153	21.0
111.04436	71.5
111.08071	2.6
113.06017	7.6
115.05415	3.3
117.07006	14.7
119.04942	3.7
119.08575	56.6
121.06446	10.0
121.10114	16.5
123.08048	5.1
123.11713	3.7
127.07549	11.1
128.06209	10.5
129.05481	25.0
129.06964	13.5
131.08554	41.2
133.06480	5.4
133.10121	46.8
135.08020	4.3
135.11658	3.9
137.09573	5.1
139.05138	2.7
141.06993	2.8
142.07748	10.9
143.08549	37.6
143.09660	2.2
144.09352	2.4
145.10120	18.5
146.07208	2.2
146.10818	2.2
147.06577	2.3
147.08046	18.8
147.11678	25.3
148.05801	2.4
149.09596	6.2
149.13232	1.9
149.81711	1.7
155.07028	93.7
156.09331	6.3
157.08945	2.5
157.10124	33.6
157.11316	3.1
159.06696	3.6
159.07944	1.8
159.11688	26.7
161.09621	50.1
161.13243	9.3
169.03593	2.0
169.10106	1.9
170.10846	2.8
170.57550	3.2
171.11716	11.0
173.08096	76.9
173.13216	11.9
174.10425	3.7
175.11166	16.1
175.14842	4.2
176.09479	2.9
184.12434	2.1
184.56955	1.6
185.10104	3.6
189.12703	4.8
189.16380	20.2
196.60927	1.9
199.09677	5.2
199.11304	4.6
199.14821	36.3
217.04988	2.4
217.08795	2.7
217.10643	64.3
217.12393	6.9
217.15869	98.8
217.19450	7.9
218.16335	1.9
227.31960	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1224
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
51.02385	0.4
53.03945	0.6
55.01874	1.8
55.05512	4.8
57.03432	0.4
57.07072	0.7
59.04998	0.5
59.70379	0.2
65.03934	0.7
67.05500	2.9
69.03434	4.4
69.07069	8.5
69.37093	0.2
71.05002	0.6
71.60408	0.4
73.02913	0.5
77.03944	0.5
79.05492	5.2
81.03439	0.6
81.07057	4.6
83.04978	5.0
83.05457	0.5
83.08614	0.7
85.06530	0.5
87.04502	0.3
89.06041	0.9
91.05479	14.5
93.07043	8.1
93.41022	0.2
95.04963	3.0
95.08610	3.2
97.02912	0.8
97.06528	0.8
101.06029	1.4
103.05457	1.5
105.03416	0.7
105.07033	22.6
106.07347	0.3
107.04953	2.5
107.08587	5.9
109.06522	5.3
109.08136	0.2
109.10133	0.7
111.04445	6.0
111.08077	0.4
113.05999	0.5
115.05418	2.2
116.06236	0.8
117.07019	5.6
119.04953	2.6
119.08582	35.7
120.09446	1.2
121.06497	7.0
121.09304	0.5
121.10144	5.2
123.04416	0.3
123.08049	1.3
124.08372	0.3
125.05981	0.3
127.07563	0.4
128.06227	4.7
129.05560	2.0
129.07002	9.8
130.07828	1.3
131.04933	0.8
131.08569	10.1
132.05679	0.3
132.09335	0.4
133.06493	9.2
133.10132	6.9
134.07240	0.3
135.04431	0.9
135.08060	2.5
135.09001	0.4
135.11688	0.3
137.06026	0.9
141.06992	4.6
142.06642	0.4
142.07774	8.7
143.08568	15.9
144.09331	1.1
145.06482	2.1
145.10124	9.7
146.07272	0.6
146.10524	0.6
147.04420	7.4
147.08047	27.7
147.11688	8.2
148.08363	0.4
149.05988	1.9
149.09624	0.8
153.07028	0.5
155.06114	0.3
155.07047	6.8
155.08548	2.1
156.09349	18.7
157.06506	2.0
157.10135	19.1
158.07265	1.1
158.10936	2.4
159.08055	3.2
159.11725	3.0
160.08853	1.1
160.12216	0.3
161.05986	6.3
161.09624	3.6
161.13275	8.2
162.06697	0.3
163.07541	0.6
165.07097	0.6
166.07834	1.5
169.06517	0.7
169.10121	1.1
170.07159	0.5
170.10939	0.4
171.08139	1.3
171.11697	32.9
172.12038	0.5
173.08101	5.3
173.09654	4.4
173.13261	5.0
174.06953	0.4
174.10422	2.1
175.07590	3.9
175.11195	12.6
175.14819	0.8
177.37483	0.2
181.10130	2.8
184.08844	4.6
187.07613	0.7
187.11237	0.3
188.08269	0.5
189.09215	1.3
189.12750	17.2
189.16388	0.6
199.11188	39.0
199.14905	1.6
200.11627	0.7
202.09886	1.5
217.12268	100.0
217.15834	7.4
218.12494	1.4
235.13313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1222
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
50.26978	0.4
51.02398	0.5
53.03941	1.2
55.01863	1.5
55.05506	3.6
59.84175	0.4
61.69457	0.4
65.03947	1.1
67.05499	5.2
69.03419	0.8
69.07070	2.2
70.31712	0.4
70.32063	2.0
73.02920	0.5
79.05494	9.3
81.03398	0.6
81.07056	7.6
83.04971	4.2
83.08593	0.5
89.06008	1.1
91.05476	20.2
92.06224	0.5
93.07038	10.1
95.04977	3.0
95.08605	3.3
97.02891	0.9
97.06506	0.5
98.21452	0.7
99.04462	0.4
99.97104	0.4
101.06000	1.2
103.05458	2.4
105.07031	30.1
107.04951	2.2
107.08587	5.8
109.06506	1.5
109.10139	0.6
111.04432	5.8
115.05442	4.4
116.06215	1.3
117.07015	10.8
118.07806	0.6
119.04971	0.9
119.08578	58.4
120.09371	10.5
121.06459	1.2
121.10139	7.7
123.04420	0.7
123.08077	0.9
125.05964	1.1
127.07533	0.6
128.06210	10.5
128.07124	0.8
129.05446	1.7
129.07001	26.0
130.07841	3.2
131.04906	1.1
131.08562	32.3
132.09320	0.9
133.06479	2.2
133.10123	6.3
137.05980	0.7
141.05949	1.0
141.06981	10.1
142.07777	21.1
143.08556	44.0
144.09358	3.2
145.06499	1.1
145.10117	16.3
146.98288	0.5
147.08037	2.9
147.11693	3.9
149.05974	1.3
153.06964	0.7
154.07718	0.6
155.05910	0.6
155.07030	5.6
155.08546	7.3
156.09340	47.6
157.06601	2.9
157.10124	60.9
158.07253	0.9
158.10912	10.9
159.08049	1.4
159.11690	4.1
161.05972	2.5
161.09621	1.9
161.13248	3.6
165.06992	0.9
166.07802	2.7
169.06502	1.3
169.10080	2.3
170.07234	1.0
170.10889	0.5
171.08266	2.7
171.11684	95.4
172.12151	2.3
173.08105	5.2
173.09541	0.9
173.13252	23.1
174.10358	0.5
175.07538	3.0
175.11221	4.0
175.14868	0.6
181.10120	9.1
184.08812	8.6
187.11102	0.6
189.09067	1.1
189.12729	14.3
189.16402	1.0
199.11176	100.0
199.14742	3.3
200.11545	2.0
202.09859	0.6
217.12259	93.5
217.15828	7.2
217.19421	1.5
218.12578	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1221
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
53.03894	0.8
53.40916	0.4
55.01801	2.2
55.05440	7.8
57.03392	0.7
57.07001	0.8
59.04964	1.3
65.03885	1.2
65.24026	0.5
67.05428	5.7
69.03348	3.5
69.06992	4.3
71.04932	0.6
71.59502	0.9
73.02890	1.2
77.03864	0.6
78.44922	0.5
79.05488	6.1
81.03352	0.8
81.07053	5.5
83.04978	12.6
83.08562	0.8
85.06474	2.0
85.06941	0.5
87.04424	1.2
89.02314	0.8
89.06027	2.8
91.05476	16.3
93.07046	8.7
95.04957	2.5
95.08618	3.3
97.02874	0.7
97.06489	0.9
99.04395	1.1
99.07956	0.5
101.06017	6.1
103.05378	1.4
105.07024	25.0
107.04972	2.8
107.08599	5.5
109.06427	1.8
109.10097	2.0
111.04434	16.9
113.05982	1.1
115.05437	3.7
116.06194	0.7
117.07020	8.7
119.04887	1.2
119.08577	56.3
120.09270	3.0
121.06505	4.3
121.10141	7.9
123.04407	0.7
123.08033	1.0
127.05423	0.6
127.07513	2.1
128.05267	0.6
128.06197	8.5
129.05516	7.5
129.06995	22.5
130.07729	2.1
131.04892	0.7
131.08563	21.6
133.06509	4.7
133.10127	10.4
135.08003	2.1
135.11646	1.4
137.05933	0.8
141.06996	8.6
142.07777	17.9
143.08553	32.8
144.09364	3.6
145.06465	1.7
145.09045	1.0
145.10118	16.0
146.10490	0.6
147.04437	2.8
147.06442	0.7
147.06848	0.8
147.08061	8.0
147.10640	0.8
147.11694	9.6
149.05925	1.6
149.09589	0.9
153.07018	1.1
154.07706	0.6
155.05771	0.7
155.07005	23.5
155.08484	4.9
156.09344	48.6
157.06595	3.0
157.10126	56.5
158.07249	0.7
158.10941	6.1
159.08075	2.7
159.11676	10.9
160.08725	0.9
160.12103	0.5
161.05991	2.9
161.09615	5.9
161.13307	5.5
165.06923	0.8
166.07764	2.3
169.06471	1.6
169.10100	1.9
169.11406	0.5
170.10797	0.8
171.08060	2.1
171.11688	88.5
172.12102	1.5
173.08105	19.8
173.09598	2.1
173.13255	14.7
174.10416	1.4
174.14043	0.5
175.07585	3.4
175.11194	11.9
175.14822	3.9
178.00154	0.5
181.10118	12.2
184.08846	8.5
184.12457	1.8
188.08276	0.8
189.09103	1.5
189.12737	13.7
189.16428	2.8
199.11182	100.0
199.14796	6.2
200.11533	1.9
202.09917	1.5
217.10741	8.1
217.12334	79.4
217.15701	20.4
217.19200	3.1
218.12712	1.5
218.16267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1223
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
53.03927	1.2
55.01840	1.4
55.05516	3.9
57.24671	0.4
59.93679	0.4
62.59081	0.5
65.03920	1.0
67.05500	5.1
69.03430	0.6
69.07044	1.8
69.56993	3.4
73.02880	1.0
77.03921	0.9
79.05065	0.5
79.05495	9.3
81.07060	7.6
82.94142	0.4
83.04990	3.7
83.08606	0.6
85.06516	0.5
87.04440	0.5
89.05998	0.9
91.05482	19.9
92.06251	0.6
93.07040	10.3
94.61874	0.4
95.04959	2.2
95.08604	2.6
97.02867	1.4
97.06560	0.5
98.21442	0.9
101.06000	1.3
103.05449	1.4
105.03374	0.6
105.07031	29.2
107.04961	2.8
107.08594	6.0
109.06495	1.3
109.10142	1.1
111.04450	6.4
115.05453	5.1
116.06205	1.7
117.06216	0.7
117.07020	11.5
119.04929	1.4
119.08579	57.8
120.08639	0.5
120.09382	10.3
121.06487	0.9
121.10154	7.0
123.04417	0.9
125.05946	0.9
128.06219	11.1
129.05450	1.5
129.07004	25.7
130.07825	2.2
131.08565	32.4
132.09386	0.6
133.06439	2.0
133.10144	6.7
135.04428	0.5
137.06068	0.8
141.06990	9.9
142.07784	19.2
143.08562	38.5
144.09360	3.3
145.06496	1.4
145.10121	18.5
147.04369	0.6
147.08055	2.7
147.11703	3.3
149.05946	1.2
153.06924	0.9
154.07771	0.7
155.05930	0.7
155.07022	6.4
155.08549	5.6
156.09344	43.0
157.06573	3.1
157.10129	56.6
158.10916	8.4
159.08043	1.3
159.11678	3.5
161.05991	1.6
161.09605	1.8
161.13275	3.7
165.07025	1.8
166.07826	2.4
169.06487	1.2
169.10117	1.3
170.07243	1.3
170.10957	0.6
171.08118	3.2
171.11688	91.7
172.12144	1.8
173.08163	4.7
173.09512	0.9
173.13258	21.5
174.10454	0.6
175.07588	2.4
175.11215	3.3
175.14754	1.1
179.66753	0.5
181.10097	8.4
184.08832	7.8
189.09117	1.2
189.12737	13.5
189.16434	0.8
193.31146	0.5
199.11180	100.0
200.11528	1.7
217.12268	84.2
217.15874	5.6
217.19444	1.4
218.12601	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.5
53.03944	1.2
55.01879	2.2
55.05513	3.9
55.13201	0.3
57.07062	0.5
59.04987	0.4
65.03936	0.5
67.05508	2.6
69.03444	3.5
69.07070	8.5
70.13721	1.1
70.14134	0.5
73.02927	0.3
75.07346	0.3
77.03931	0.4
79.05496	4.9
81.03422	0.9
81.07066	4.7
83.04984	4.3
83.08608	0.5
85.06536	0.4
89.06023	0.5
91.05486	12.9
93.07051	8.5
95.04957	2.5
95.08620	2.6
97.02895	1.1
97.06522	1.0
101.06004	0.8
103.05473	0.9
105.03416	0.3
105.07040	22.5
106.07355	0.3
107.04964	2.4
107.08601	5.7
109.06529	6.1
109.10152	0.5
111.04440	5.1
113.06022	0.6
115.05473	1.7
116.06256	0.4
117.07026	5.0
119.04972	2.3
119.08588	37.6
120.09347	1.0
121.06516	7.0
121.10135	4.7
123.08078	1.4
128.06223	5.4
129.05475	1.1
129.07014	10.6
130.07797	1.2
131.04955	0.6
131.08577	10.9
133.06497	8.5
133.10143	6.5
134.07253	0.4
135.04402	1.2
135.08047	3.0
141.06993	4.5
142.07788	8.7
143.08582	15.3
144.09343	0.9
145.06479	1.9
145.09026	0.7
145.10129	8.8
146.07265	0.7
146.10533	0.3
147.04419	7.5
147.08057	26.1
147.11684	7.8
148.08600	0.6
149.06010	2.1
149.09602	0.7
153.06963	0.6
155.07043	4.4
155.08560	1.5
156.08064	0.6
156.09366	19.8
157.06563	2.6
157.10139	20.6
158.07295	1.5
158.10959	2.4
159.08075	3.2
159.11777	2.8
160.08821	1.0
161.05997	6.4
161.09633	3.6
161.13274	7.5
163.07579	0.8
165.07016	0.8
166.07756	0.9
169.06502	0.8
169.10165	0.6
170.07347	0.5
171.08083	1.5
171.11713	32.8
172.12022	0.9
173.08122	3.4
173.09653	4.8
173.13255	4.6
174.06898	0.4
174.10429	1.7
174.56488	0.3
175.07570	3.7
175.11208	10.2
175.14835	0.9
181.10120	3.7
184.08847	4.2
187.07562	0.8
188.08301	0.4
189.09180	1.4
189.12762	18.2
189.16345	0.6
199.11200	39.2
199.14879	1.6
200.11501	0.6
202.09892	1.5
217.12274	100.0
217.15825	4.9
218.12686	1.6
235.13223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
55.40398	0.6
56.63063	0.6
56.96567	12.1
58.06601	21.3
59.07391	1.6
61.02910	0.5
65.66766	0.5
70.06602	0.8
70.81321	1.7
70.98104	0.5
71.04967	0.5
71.95281	0.9
72.08145	1.0
72.96051	2.6
74.09721	69.6
83.04995	1.2
85.02905	1.4
88.77225	0.5
93.73311	0.5
93.79628	0.5
97.02920	0.7
97.96841	0.8
98.97585	52.3
100.07619	6.8
101.00927	0.6
102.63827	0.5
111.04441	1.0
112.99140	1.4
115.97857	0.6
116.07115	0.7
116.98626	41.4
118.08632	0.5
118.32608	0.5
119.01919	4.2
127.03963	0.9
128.98610	1.0
131.00197	1.8
134.99657	23.9
137.02979	1.9
140.00194	1.6
142.01779	2.6
142.03456	0.6
146.99692	0.6
149.01241	1.5
153.00706	3.8
155.06992	1.6
158.01245	2.0
160.02818	7.5
161.02969	1.7
163.04489	0.9
172.99960	1.9
173.08112	1.4
174.04405	6.8
174.99136	0.7
175.04993	0.9
176.06007	0.7
178.03899	1.9
179.04073	0.9
182.94742	0.5
187.27800	0.7
191.00954	1.6
192.05440	9.2
192.31197	0.5
193.00139	2.4
206.88985	0.5
216.05444	100.0
217.05779	0.7
217.10735	0.5
234.06497	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86693	0.4
53.03939	0.7
53.99962	0.4
54.12506	0.5
55.05504	2.5
57.07070	1.7
58.70037	0.4
60.19149	0.4
67.05505	5.7
69.07072	4.3
71.12292	0.7
71.12653	1.1
74.09713	1.0
79.05498	4.6
81.07062	9.2
83.08623	2.0
84.96375	0.5
91.05477	7.0
93.07045	7.8
95.04947	0.7
95.08606	11.7
97.10162	0.5
98.98469	2.1
103.05482	0.6
105.07031	13.5
107.08588	12.2
109.06493	0.7
109.10157	6.7
115.05423	0.7
116.06264	0.6
117.07028	6.8
119.08583	18.5
121.10147	10.4
123.11698	1.0
128.06215	1.1
129.07030	4.4
130.07767	2.2
131.08562	18.2
132.08923	0.5
133.10132	15.4
135.11665	1.9
139.01599	2.7
140.00391	0.5
141.07018	1.0
142.07751	1.9
143.08530	2.3
144.09357	7.3
145.10126	39.2
146.10738	0.8
147.11684	16.7
150.96851	1.6
155.08546	0.7
156.09338	1.1
157.10114	6.8
158.10910	3.7
159.08028	1.5
159.11691	68.9
160.12224	1.6
161.13199	0.7
162.03464	0.5
169.10110	3.4
171.11690	4.5
172.08760	0.7
172.12460	2.7
173.09676	1.8
173.13264	31.5
174.13698	0.8
182.10817	0.7
185.13219	3.4
186.10410	0.5
186.14047	1.3
187.07501	0.6
187.11145	0.9
187.14815	8.2
191.97235	0.5
192.05458	0.5
197.09637	1.3
197.13281	1.2
200.15602	1.9
214.70752	0.6
215.07016	1.1
215.10954	3.6
215.14362	7.9
215.17950	100.0
216.14629	0.4
216.18326	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1643
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03938	2.2
54.63666	1.1
55.01861	2.3
55.05514	22.3
57.03425	3.8
57.07068	2.7
67.05507	31.4
69.03427	1.3
69.07072	29.1
69.30718	11.3
71.05001	14.4
73.06577	1.4
79.05494	16.4
79.29227	0.9
81.07060	78.6
83.04970	3.3
83.08144	1.4
83.08620	21.8
85.06068	1.6
85.06549	22.9
91.04974	1.4
91.05490	18.7
93.07048	20.0
95.04976	2.1
95.08611	100.0
97.06535	22.2
97.10171	9.2
99.08097	8.9
101.06009	2.8
105.07040	23.9
107.08599	9.8
109.06516	2.8
109.10160	7.2
111.08074	4.1
113.05990	1.7
113.09627	2.1
115.07582	2.8
117.07016	1.7
119.08588	36.1
121.10144	11.5
123.08057	6.2
127.07578	1.5
131.08585	2.7
133.10138	28.4
135.11702	16.6
137.09627	3.2
137.13264	17.2
141.07039	1.0
141.09093	2.1
145.10146	2.0
150.96878	3.7
151.14838	2.1
156.09442	1.2
157.10143	1.4
159.11664	2.6
161.02335	1.6
161.13264	69.4
162.13536	1.7
169.10123	1.4
173.02368	4.1
173.09741	1.1
179.14320	39.4
185.06033	1.1
188.41103	1.2
197.15379	18.7
208.20233	1.1
215.07033	2.5
215.10664	1.9
215.14359	3.6
215.18134	3.9
215.76640	1.0
226.29861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58500	2.5
53.03953	2.5
55.05515	27.7
57.03427	3.5
57.07071	2.9
59.05024	2.5
67.05512	31.1
69.03428	3.3
69.07078	32.3
70.06572	5.4
70.06973	14.0
71.05017	14.4
72.08176	2.6
72.93777	3.0
74.09734	5.0
79.05508	15.8
81.07065	73.4
83.05005	6.1
83.08637	16.5
83.09048	2.8
85.06551	18.1
90.11917	2.4
91.05497	20.9
93.07044	22.2
95.04952	3.1
95.08617	100.0
97.06538	22.8
97.10180	8.2
97.43083	2.5
98.98477	3.1
99.08089	7.5
101.05998	3.3
105.03438	4.4
105.07036	28.2
107.08599	16.0
109.06481	4.0
109.10159	9.8
111.08062	4.8
112.97327	2.6
117.07037	4.8
119.08586	45.9
121.10165	13.3
123.08064	7.8
128.84625	3.0
129.07040	4.2
131.04924	3.3
131.08589	12.8
132.95837	5.1
133.02882	6.3
133.10143	34.2
135.11679	14.5
137.09628	4.2
137.13275	19.5
139.01585	8.1
143.08586	4.2
145.10104	11.7
147.11633	2.7
148.00340	2.5
150.96913	19.7
155.08554	3.4
157.10112	4.4
159.04414	4.9
159.08055	4.9
159.11693	12.6
161.02382	17.2
161.13280	74.0
169.10121	7.0
171.11766	3.5
173.02361	64.7
173.09605	4.1
173.13289	8.3
174.02695	4.2
179.14304	32.9
182.11095	3.2
187.14922	5.8
191.97079	5.9
197.09581	3.4
197.13289	3.1
197.15398	13.8
209.98239	4.8
215.06998	34.7
215.10692	8.5
215.14378	20.6
215.17888	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1644
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.96483	1.7
55.01865	2.9
55.05515	25.1
57.03442	4.7
57.07066	3.0
67.05508	31.2
67.25968	1.7
69.07070	25.2
69.77177	10.8
71.05011	11.1
72.08158	4.7
73.08476	2.4
79.05499	16.0
81.07063	75.5
83.04998	6.7
83.08623	19.3
85.06544	20.7
91.05488	23.5
93.07051	23.7
95.04984	4.0
95.08612	100.0
97.06543	24.2
97.10185	7.4
98.98447	3.5
99.08090	9.2
101.06037	2.6
105.03358	2.2
105.07037	28.6
107.08600	14.2
109.06559	4.2
109.10152	10.2
111.08081	4.1
113.09638	2.0
115.05492	2.4
115.07610	2.3
115.17801	1.9
116.66029	1.9
117.07029	6.2
119.04981	2.0
119.08579	47.2
121.10152	12.1
123.08077	7.7
123.11660	1.8
127.07596	1.9
129.07010	2.7
131.08572	10.8
132.95856	2.8
133.02844	4.7
133.10143	30.0
135.11716	19.3
137.09631	3.3
137.13264	19.0
139.01605	2.5
141.07002	4.8
143.08595	3.1
145.06468	2.6
145.10168	9.6
147.21355	1.9
150.96919	11.1
151.11311	1.7
156.09280	1.9
157.10132	2.4
159.04414	4.1
159.08087	5.5
159.11710	11.5
161.02351	17.7
161.13266	79.8
169.10129	5.0
172.80357	1.9
173.02354	39.6
173.09558	4.1
173.13271	4.9
174.02812	1.8
179.14323	40.7
186.03104	4.3
187.03812	2.3
187.07529	4.8
187.11189	4.1
191.97188	2.8
197.05927	1.9
197.09659	4.2
197.13457	3.2
197.15390	14.3
200.04718	2.4
209.98169	2.9
212.25101	1.7
215.07060	35.2
215.10728	7.3
215.14374	13.6
215.17941	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	215.1643
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
52.07983	0.9
53.03936	2.2
55.01862	2.5
55.05265	1.4
55.05511	22.2
55.20470	1.0
55.72123	1.1
57.03423	3.4
57.07070	3.5
61.04040	2.6
67.05503	29.8
67.99124	0.9
69.07069	27.2
71.04993	14.2
71.19498	1.9
73.06536	2.1
79.05498	14.6
81.07056	77.2
82.07401	1.4
83.04992	5.4
83.08620	20.4
85.06071	1.7
85.06547	22.1
85.07063	1.2
91.05476	17.4
93.07042	18.6
95.04971	2.3
95.08607	100.0
97.06539	21.2
97.10178	9.9
98.98418	1.2
99.08093	9.2
101.06030	2.2
103.05470	1.0
105.07030	26.4
107.08588	9.7
109.06512	4.3
109.10157	10.1
111.08073	5.9
113.09663	2.7
115.07578	2.8
117.07027	1.9
119.08578	40.1
121.10154	11.4
123.08057	6.5
127.07530	1.8
128.14363	9.7
131.08569	2.2
133.10133	25.4
135.11693	19.3
137.09622	3.7
137.13245	17.6
139.01558	3.0
141.09123	1.0
143.08630	1.1
145.06516	1.0
145.10097	2.2
150.96870	2.8
151.11115	1.3
159.04361	1.0
159.08087	1.3
159.11710	2.8
161.02364	1.2
161.13257	83.3
173.02333	3.0
173.06027	1.6
173.13206	1.6
179.14307	49.5
187.07527	1.0
191.97115	1.7
197.15302	22.2
197.16811	1.7
215.07051	4.3
215.10730	1.9
215.14474	5.8
215.17725	20.5
235.61263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
54.36253	1.0
55.01865	1.9
55.05509	54.8
56.05830	3.4
57.03424	2.1
57.07063	4.2
67.05500	23.5
69.07067	41.2
70.06567	1.6
71.05005	5.3
73.06542	2.3
79.05495	13.5
81.07053	73.4
82.93639	0.9
83.04978	7.1
83.08615	46.0
84.08952	3.9
85.06541	6.5
87.04459	1.6
91.05472	15.2
91.58104	4.2
92.08272	2.9
93.07047	19.1
95.04959	1.7
95.08604	91.8
97.06531	13.0
97.10161	15.4
98.09674	2.7
98.20756	1.8
99.04449	1.0
99.08080	4.3
99.82334	0.9
100.07612	2.8
100.11256	31.9
101.06013	2.0
101.10954	2.0
101.11583	13.1
105.07024	18.3
106.57674	0.9
107.08588	7.5
109.06506	4.5
109.10154	7.3
111.08067	4.1
112.07557	1.9
113.05991	1.6
115.07575	2.5
117.13885	1.0
119.08572	25.8
121.10119	7.3
123.08052	6.9
123.11726	1.0
126.09130	2.4
127.03883	1.0
127.07555	3.7
128.04253	1.7
131.30789	0.9
133.10120	16.4
135.11678	12.1
136.12013	0.9
137.09633	3.4
137.13246	18.6
140.10709	1.2
141.09097	2.1
141.11497	9.7
141.61647	24.8
142.11800	1.3
143.11790	1.2
145.10063	1.2
149.13248	1.6
151.11174	1.4
151.14838	1.5
154.12263	5.6
155.11270	1.6
155.12540	3.6
155.61392	2.6
161.13243	43.0
165.59557	1.0
178.15776	1.3
179.14330	10.8
182.15404	11.3
183.15733	9.7
187.14595	0.9
196.16940	14.4
199.18051	9.3
200.18393	6.8
205.16563	1.7
209.16479	1.5
210.14912	1.6
211.15161	2.2
213.42241	1.0
213.67953	31.9
214.10736	1.9
214.18024	100.0
215.14348	1.6
225.15935	1.0
226.16217	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1431
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03931	0.8
55.01839	0.5
55.05507	3.4
57.07075	3.6
65.03926	0.7
67.05506	6.3
69.03429	2.4
69.07075	4.2
71.04990	0.9
71.08607	1.5
71.59882	0.4
71.60292	0.6
74.09722	0.9
79.05490	4.5
81.07060	14.4
83.04960	0.8
83.08617	0.9
85.10181	0.5
91.05479	12.1
93.07044	8.7
95.04980	3.1
95.08607	9.6
98.98422	0.8
103.05460	1.0
105.07031	23.7
107.04956	1.0
107.08603	13.1
109.06528	2.3
109.09563	0.5
109.10170	5.2
115.05450	1.8
116.06213	1.0
117.07026	13.5
119.04890	1.0
119.08580	49.3
120.08920	0.5
121.06493	3.1
121.10136	4.6
123.08068	0.9
123.11740	0.8
128.06207	1.5
129.07002	5.6
130.07802	4.6
131.08571	38.2
133.06541	0.9
133.10132	35.1
134.10497	0.6
135.08051	4.1
135.11665	0.8
139.01526	1.5
141.07001	2.8
142.07741	3.0
143.08549	10.5
144.05728	0.6
144.09351	6.1
145.06471	3.0
145.10123	81.7
146.10483	1.0
147.08031	2.4
147.11667	5.4
150.96889	0.5
154.07799	1.1
155.08565	6.1
156.09352	7.4
157.10138	10.5
158.07332	1.3
158.10933	6.7
159.08073	12.6
159.11694	93.7
160.08850	0.6
160.12230	1.8
161.09555	1.0
161.13148	0.6
167.08531	3.3
168.09375	0.9
169.10136	6.2
171.08061	1.3
171.11699	20.5
172.08812	2.0
172.12445	3.9
173.09654	14.0
173.13263	59.4
174.10406	0.4
174.13622	0.9
182.10918	6.9
185.09645	2.5
185.13254	2.4
186.10384	5.1
186.14015	1.7
187.11266	5.5
187.14822	28.5
191.99568	0.8
197.09613	0.9
197.13268	16.7
199.11081	0.5
200.11960	5.2
200.15648	1.1
213.16406	0.5
215.01048	0.5
215.14360	100.0
215.17917	99.8
216.14682	1.8
216.18347	1.6
233.70535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82274	0.7
54.03474	1.1
54.96124	0.7
55.01873	0.8
55.05518	1.3
56.05029	1.9
56.96564	50.7
57.03438	0.9
57.93187	0.7
58.06590	1.2
60.08158	5.8
61.02934	0.7
62.87804	0.6
69.03434	1.3
69.07065	9.7
70.06590	29.7
71.06925	3.2
71.57625	1.4
71.95249	1.0
72.08148	7.6
72.96045	1.0
73.02906	1.3
74.00660	5.1
74.97615	1.7
81.03386	1.2
81.07059	1.0
82.02940	1.8
82.99834	1.1
83.06107	3.8
84.04513	1.7
84.08140	4.5
84.96028	4.0
85.02896	2.1
86.09702	100.0
86.34179	0.6
88.61556	0.7
95.04952	0.9
96.08118	1.0
97.02900	1.8
97.06533	10.2
98.06059	0.8
98.97583	22.5
100.02489	1.6
100.99148	8.9
101.00855	9.2
101.02390	0.8
104.07080	1.3
106.03506	0.8
107.04935	1.1
109.04009	1.0
109.07651	1.0
110.07127	2.4
110.97575	2.6
111.05551	2.9
112.07577	1.8
113.00883	0.7
113.98656	1.2
116.00218	1.4
116.98618	25.8
117.07375	1.0
118.03527	8.6
119.00204	8.1
119.01916	93.0
120.02018	1.7
121.01616	1.0
127.08651	1.7
128.98590	7.1
129.10223	1.4
130.03485	3.2
131.00179	1.7
131.01857	3.5
131.99680	2.3
133.03433	0.8
134.99649	18.8
136.04510	3.6
136.06192	1.0
137.02942	48.7
138.03041	1.1
138.05432	1.1
139.01474	1.3
140.00148	1.0
141.10184	1.5
142.03465	3.0
143.01846	1.0
144.05057	2.7
144.08669	0.9
144.98093	5.3
145.03436	1.5
146.99655	8.1
147.03293	0.9
148.04584	1.2
149.01147	2.3
149.02922	2.5
150.00739	4.1
150.96860	2.6
152.07097	1.0
153.00661	2.5
154.01746	1.8
154.03436	1.7
154.94133	1.0
155.02768	5.6
155.04457	2.4
155.05537	1.6
158.01204	1.0
158.99667	1.2
160.04498	1.2
161.02934	1.7
162.09763	2.7
162.99130	7.0
163.02666	1.0
165.00690	7.5
168.01593	0.7
168.05070	1.1
168.08725	2.7
172.02803	5.1
172.04536	5.9
172.95193	3.0
172.97551	1.7
173.02921	1.2
173.06664	4.3
177.00711	1.7
181.00165	0.9
183.01816	4.2
186.04349	3.2
186.09749	54.8
187.04430	1.5
188.02206	1.8
189.04276	1.5
190.03885	5.6
190.96718	1.2
190.98576	9.4
191.02315	1.4
191.03955	4.1
191.07616	4.3
196.04411	1.1
196.08154	1.6
197.06645	3.9
204.05508	0.9
204.10811	34.5
205.10994	0.9
208.04924	3.7
208.96645	1.1
208.99683	19.0
209.02998	1.2
209.11330	3.0
209.98145	0.9
214.03825	14.6
214.05643	2.8
214.07491	1.2
214.09196	27.8
214.11972	3.7
215.07655	6.0
216.23920	0.8
227.00665	3.0
232.04982	16.0
232.10301	96.3
233.08679	4.2
233.10654	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01859	3.0
55.05515	8.3
56.96563	1.5
57.03426	0.9
57.07061	2.4
65.03949	1.6
67.05505	5.4
69.03415	1.9
69.07066	13.1
70.06590	1.3
70.73193	3.8
71.05006	5.3
79.05481	4.3
81.03389	1.1
81.07064	17.1
83.08197	1.0
83.08626	8.5
85.06541	4.5
91.05482	42.1
93.07053	14.9
95.04967	3.3
95.08608	32.2
97.06548	1.0
97.10185	6.1
99.08098	30.2
103.05529	1.1
105.03437	1.6
105.07030	4.4
107.04963	9.0
107.08600	31.0
109.10172	8.8
111.08094	15.6
113.09648	3.0
119.04949	49.8
119.08575	1.2
120.05711	3.4
121.10149	51.6
123.04438	1.0
123.08056	1.2
123.11686	2.3
125.09644	5.1
129.07045	1.5
135.08028	1.5
135.11700	10.3
137.13248	8.8
139.11162	2.9
142.07808	1.1
143.08633	1.8
149.13237	5.1
152.06229	3.5
153.06993	1.0
157.10080	1.6
163.07498	1.9
165.07002	3.2
167.07040	8.7
167.08582	3.6
171.11646	1.2
177.06979	2.2
177.16396	100.0
185.13274	1.2
195.08058	3.3
195.10121	1.9
195.17471	18.1
202.06627	1.2
213.09137	15.3
213.12636	3.4
213.16510	1.5
213.18474	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03951	2.6
55.01872	5.0
55.05514	11.1
57.07074	3.3
61.43209	1.5
67.05510	8.0
69.03439	3.2
69.07078	24.7
70.06598	1.8
70.89450	3.8
70.89810	3.1
71.04992	7.4
79.04228	1.7
79.05499	11.2
81.03407	2.8
81.07059	21.7
83.04974	1.9
83.08628	10.5
85.06541	7.2
86.09721	3.1
88.07642	2.3
91.05490	4.9
93.07060	16.0
95.04980	1.8
95.08619	41.5
95.09237	2.1
97.06536	5.9
97.10176	9.4
99.04492	1.6
99.08103	32.5
104.66154	1.5
105.07030	4.9
107.04933	10.4
107.08602	35.7
109.06494	1.9
109.10192	13.1
111.08087	12.7
113.09592	3.0
119.04953	1.6
119.08601	3.0
121.10152	58.8
123.08072	2.1
123.11759	3.6
125.06040	2.2
125.09629	7.5
125.13275	2.7
127.03946	3.3
129.06999	2.4
131.08640	1.9
135.11699	21.0
137.13231	8.7
139.07578	2.6
139.11221	2.5
142.07797	2.8
143.08574	3.7
149.09668	2.4
149.13271	6.5
153.12761	6.4
156.09201	1.7
157.10129	9.2
159.11711	2.0
163.07561	5.1
167.07100	22.1
167.08466	3.2
169.10007	2.0
170.10962	2.0
171.11691	5.7
177.16399	100.0
185.09711	2.5
185.13306	2.2
195.10164	6.1
195.11838	2.8
195.13794	3.8
195.17467	17.6
213.05643	2.5
213.09200	7.9
213.12762	6.3
213.16388	11.0
213.18506	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03925	1.9
55.01875	5.3
55.05511	14.3
56.05008	0.9
56.62058	0.9
56.96562	4.8
57.03406	1.0
57.07067	4.0
59.04976	1.1
65.03923	2.3
67.05497	7.6
69.03423	5.3
69.06723	1.4
69.07070	21.0
69.53471	0.9
70.06577	2.7
70.21008	4.8
70.81974	0.8
71.04997	8.9
72.08154	1.7
78.04706	1.5
79.05496	17.5
81.03387	1.8
81.07059	24.5
83.04955	2.4
83.08620	14.1
85.02895	1.6
85.06544	5.8
86.09714	4.5
88.07623	2.0
91.05482	54.9
92.05784	1.3
93.07046	22.8
95.04955	8.0
95.08604	37.3
97.02869	1.0
97.06544	5.1
97.10159	9.2
97.47622	0.9
98.97594	7.3
99.04439	1.1
99.07482	1.9
99.08098	31.8
103.05477	5.7
104.02633	0.9
105.03360	1.2
105.07031	10.3
107.04956	43.8
107.08601	46.9
108.05256	0.9
109.02847	0.9
109.06499	2.8
109.10165	10.1
110.03636	0.9
110.91795	0.9
111.04475	1.4
111.08079	17.3
111.11691	1.2
113.09628	2.9
115.05440	3.4
116.98650	6.5
117.07041	4.2
119.04946	58.1
119.08582	4.0
120.05798	5.7
121.06556	2.5
121.10146	65.9
123.04449	3.1
123.08058	3.2
123.11701	3.4
124.05188	1.5
125.05978	4.4
125.09644	9.2
127.03899	2.3
127.11203	1.2
128.06223	1.9
129.07045	1.6
131.04878	1.5
131.08617	4.7
133.06456	0.9
133.10115	1.9
134.99710	4.3
135.08047	10.4
135.11700	25.8
137.02832	1.2
137.05943	1.6
137.13257	10.3
139.03853	1.4
139.07547	1.4
139.11172	2.2
140.04710	1.3
141.07103	1.3
142.07787	2.6
143.08572	2.6
147.11638	1.6
148.53589	1.0
148.97356	3.4
149.09619	2.4
149.13251	7.3
151.03900	1.7
152.04802	1.5
152.06194	4.7
153.07040	1.0
154.06238	2.4
154.12241	1.0
155.08562	1.7
156.09210	1.3
157.06485	3.7
157.10109	3.3
158.99669	2.8
159.11679	2.3
163.07545	21.8
165.06960	5.0
166.07703	1.5
167.07063	79.5
167.08540	6.1
170.07283	1.4
171.08057	2.0
171.11624	2.0
176.06165	1.2
177.00684	5.1
177.06972	3.0
177.09090	1.8
177.12801	3.2
177.16391	100.0
180.07803	1.9
180.09300	1.3
185.07149	1.8
185.09612	2.1
185.13319	1.2
189.00734	2.2
195.08087	5.3
195.10153	15.2
195.11772	2.8
195.13768	4.5
195.15750	1.8
195.17435	15.2
202.06703	1.5
212.08105	1.2
213.05566	2.8
213.07173	0.8
213.09129	19.4
213.11139	3.0
213.12735	6.1
213.16435	4.1
213.18483	15.3
214.09180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01863	2.8
55.05514	15.9
57.07064	2.9
61.05744	0.8
67.05518	5.8
69.03426	2.2
69.07071	16.0
69.48105	7.4
71.04987	4.2
71.89621	0.9
76.45765	0.9
79.05507	4.1
81.07066	18.8
83.04979	1.9
83.08624	14.3
85.06538	5.5
91.05480	2.0
91.58102	3.7
93.07049	10.8
95.04941	1.1
95.08613	35.9
96.28313	0.8
97.06535	1.0
97.10195	6.9
98.09706	1.3
98.20731	1.0
99.08099	36.5
99.08750	1.9
100.07619	1.2
100.11260	17.6
105.07027	3.0
107.08597	32.5
109.10161	8.4
111.07376	1.1
111.08092	16.2
111.11692	0.9
113.09628	3.4
117.13845	1.1
119.07776	0.8
119.08575	2.0
121.10149	53.4
123.08051	1.1
123.11662	1.4
125.09644	6.2
126.09180	1.3
127.03923	3.5
131.30936	1.0
133.10155	1.0
135.11703	11.0
137.13260	7.1
139.11156	2.0
141.11487	13.4
141.61693	2.0
149.13257	5.1
154.12257	3.6
155.11278	1.7
161.13292	2.2
177.16400	100.0
178.16704	0.8
182.15401	8.1
183.15662	1.2
195.17450	17.4
199.18054	8.9
209.16507	1.2
210.14891	1.4
213.09167	1.2
213.18330	22.9
213.67963	3.1
214.18045	1.8
225.15981	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01857	3.5
55.05268	0.8
55.05516	13.5
56.96547	1.0
57.03419	0.8
57.07067	4.0
62.57155	0.9
67.05502	8.6
68.99792	0.9
69.03424	4.5
69.07065	16.7
70.06583	2.3
71.04990	6.6
71.08628	2.1
71.58026	0.8
71.60966	0.8
72.08148	2.1
72.93787	0.8
79.05489	9.7
81.03427	4.9
81.07057	21.6
83.04967	1.9
83.08620	11.7
85.02888	2.0
85.06544	6.3
85.10156	2.8
86.09697	4.1
87.00806	1.1
87.04474	1.0
88.07633	1.3
91.05479	6.5
93.07046	17.6
95.04964	2.8
95.08607	37.7
97.02885	2.8
97.06522	3.2
97.10175	8.1
98.97552	1.0
99.04469	1.8
99.08089	40.3
103.05489	0.8
105.07023	3.5
107.04916	2.4
107.08594	36.6
109.02869	4.3
109.10159	12.7
110.03658	1.4
111.04398	1.9
111.08085	17.0
113.05990	2.6
113.09641	6.1
115.03887	0.9
115.11235	0.9
119.08551	3.0
121.06537	0.8
121.10145	63.5
123.04420	1.1
123.08080	1.0
123.11687	2.7
125.05988	2.0
125.09628	6.0
125.13277	1.2
127.03915	9.5
128.06204	1.4
129.06982	1.8
133.10133	1.5
133.84712	0.9
135.08034	1.5
135.11687	18.9
137.13246	8.5
139.11185	2.4
141.06955	0.9
142.07803	1.4
143.08548	4.3
145.10091	1.2
148.97453	1.1
149.09596	1.7
149.13249	7.9
153.01839	1.5
153.05473	1.5
153.06618	0.7
153.12772	4.8
156.09290	1.3
157.06473	0.7
157.10143	5.2
159.11655	1.2
163.07603	1.0
165.06996	1.8
167.07030	3.4
167.08514	1.0
167.14357	1.0
170.10875	1.5
171.08031	2.0
171.11682	2.9
177.09196	1.3
177.12775	2.7
177.16388	100.0
178.16718	1.1
180.09335	1.2
185.07175	1.0
185.09583	1.0
185.13252	3.4
192.31204	0.8
195.06461	0.9
195.08217	0.9
195.10146	2.0
195.11746	3.2
195.13826	2.8
195.17438	19.8
198.10437	1.0
213.03915	3.3
213.05688	1.2
213.09056	3.3
213.13014	8.1
213.14813	3.1
213.16426	4.7
213.18484	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21999	0.7
54.18850	0.7
54.56273	0.8
55.05507	3.9
55.40470	0.7
56.96558	1.7
57.07088	1.7
64.71359	0.8
65.10423	0.8
67.05488	2.7
69.07068	11.2
71.04979	1.1
71.60587	1.1
79.05486	5.2
81.07066	5.5
83.04963	1.1
83.08613	2.9
88.07618	2.2
91.05482	7.5
93.06465	1.2
93.07034	9.6
95.04955	0.9
95.08602	3.4
97.06530	1.1
99.08065	1.1
101.82287	0.8
105.07030	15.8
107.04964	1.8
107.08593	13.3
115.05434	1.5
116.97220	1.2
117.07018	2.4
119.08580	19.4
121.10139	5.4
125.05955	1.4
128.06227	6.5
129.07005	8.0
131.08568	3.2
132.92975	0.9
133.10129	7.1
135.11664	1.8
141.06969	4.3
142.07776	16.8
143.08569	22.5
144.09151	0.9
145.10086	4.6
149.09538	1.1
155.08546	4.0
156.09329	14.4
157.10127	53.1
158.10822	2.4
159.11734	2.1
167.07013	1.3
167.08429	0.9
169.10143	4.4
170.10956	5.9
171.08029	2.0
171.11690	31.8
172.12367	1.3
177.09229	0.9
177.16362	1.3
180.09410	1.1
181.12181	1.7
183.08038	1.5
183.11656	8.5
184.12523	2.0
185.09631	1.2
185.13235	9.3
190.00082	1.1
195.08086	0.9
195.11694	3.8
195.13586	0.9
197.13493	0.8
198.10435	1.9
198.13983	7.7
200.42799	1.0
211.95071	0.9
213.05386	1.3
213.09149	2.8
213.13049	16.7
213.16383	100.0
214.05101	0.9
214.16747	1.4
227.83008	0.8
230.72314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05518	3.9
56.96563	2.7
57.07077	5.1
62.55411	0.7
67.05500	2.5
69.03432	0.7
69.07071	5.8
69.34458	0.6
71.04974	2.0
71.60241	0.9
71.60624	0.8
72.93811	0.8
79.05474	4.0
81.07055	3.3
83.05006	0.9
83.08611	2.1
85.06557	0.7
87.70894	0.6
88.07619	4.0
90.94823	0.9
91.05496	6.0
93.07041	5.3
95.04981	1.4
95.08616	3.5
95.58467	0.7
97.06535	2.0
97.10194	1.3
103.05489	1.4
105.07030	34.1
106.90739	0.8
107.04957	1.4
107.08590	8.0
109.10143	1.9
111.10781	0.7
117.06976	3.5
119.04986	1.3
119.08584	32.9
119.68146	0.6
121.10151	6.9
125.09622	0.9
128.06215	6.3
129.06993	5.3
131.08566	2.8
133.10152	5.3
135.11682	0.8
139.07518	1.6
141.06990	2.7
142.07779	9.0
143.08565	39.3
145.06569	0.9
145.10101	3.6
148.97287	0.7
149.09547	0.9
149.13246	1.4
149.93999	1.1
155.08490	3.6
156.09334	8.3
157.06558	1.0
157.10132	44.7
158.10776	1.6
159.11674	1.7
165.07036	1.8
167.07063	2.1
167.08533	1.2
169.10143	3.7
170.10947	4.7
171.08076	1.2
171.11688	34.2
172.12349	1.4
172.16968	17.4
177.09079	0.8
177.12788	0.8
180.09317	1.6
181.48402	0.7
183.07942	1.5
183.11693	4.8
184.12456	2.5
185.09669	0.9
185.13287	7.3
190.98636	0.7
195.11729	3.9
195.13628	1.0
198.10423	2.2
198.14024	4.4
199.14748	0.7
213.05469	1.6
213.09180	1.6
213.12802	12.5
213.16403	100.0
214.16687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37989	0.1
55.05506	2.0
56.31340	0.2
57.07066	0.8
58.94853	0.1
60.93410	0.2
62.08178	0.2
65.81107	0.2
67.05518	0.2
69.07069	4.9
69.26573	0.2
69.26903	2.1
71.08620	0.3
79.05502	0.3
81.07050	0.3
83.08610	1.4
91.05486	0.6
93.07069	0.3
95.08602	0.4
97.28320	0.2
98.21622	0.3
105.07031	1.9
107.08578	0.4
115.05455	0.3
117.07033	0.5
119.08578	1.1
121.10110	0.3
128.06210	2.5
128.76317	0.1
129.06999	4.4
130.07782	0.5
131.08566	2.6
132.70726	0.2
133.10176	0.2
133.35478	0.2
133.74980	0.1
141.06998	2.1
142.07776	11.9
143.08559	19.6
144.09180	0.3
145.06435	0.3
145.10120	2.8
147.62650	0.2
154.07768	0.5
155.08539	2.0
156.09349	10.3
157.10132	49.0
158.10873	1.3
159.11714	1.2
165.07100	0.2
167.08571	0.2
168.09319	0.2
169.10126	3.1
170.10905	2.2
171.11685	50.0
172.12190	0.9
181.10184	0.2
183.11737	2.0
184.12488	2.3
185.09682	0.2
185.13269	4.7
195.11687	0.9
195.64520	0.2
196.12358	0.3
198.10411	0.5
198.14026	1.8
211.14871	1.0
213.12845	3.7
213.16379	100.0
214.16736	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
55.05513	1.9
57.07077	0.8
67.05503	0.3
68.72433	0.2
68.91059	0.2
69.07069	5.2
71.08622	0.3
71.09010	0.2
71.37387	0.4
72.77356	0.2
73.48801	0.2
77.46922	0.2
81.07059	0.5
83.08633	1.2
91.05476	0.5
93.07028	0.3
105.07050	2.1
107.08613	0.3
115.05450	0.5
117.06985	0.6
119.08551	1.0
121.10137	0.3
128.06218	2.7
129.07004	4.1
130.07797	0.4
131.08566	2.3
141.06987	1.9
142.06628	0.2
142.07777	10.5
143.08563	20.7
144.09113	0.4
145.10118	2.9
154.07771	0.3
155.08542	1.7
156.09357	10.9
157.10138	47.8
158.10815	1.5
159.11723	1.2
169.10127	2.8
170.10951	1.6
171.11691	51.2
172.12115	1.2
181.10260	0.2
183.11693	2.2
184.12456	2.3
185.13269	3.6
196.12474	0.3
198.10378	0.2
198.14024	1.3
211.14812	1.1
213.16388	100.0
214.16769	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	Modiolin
Peak:m/z	Relative Intensity
53.04028	1.8
55.01661	1.6
55.01954	8.0
55.05294	3.0
55.05593	17.8
56.96627	1.2
57.03505	1.2
57.07158	2.4
59.05081	0.6
64.19315	0.6
67.05192	2.0
67.05591	18.9
68.99854	0.5
69.03111	1.1
69.03515	4.4
69.06755	1.0
69.07157	11.3
69.28753	0.5
70.06649	1.1
71.04651	1.6
71.05082	15.5
72.08215	1.0
72.93904	0.5
73.02985	1.0
73.06628	0.9
75.35672	0.5
77.03995	0.6
78.04767	1.2
79.05073	1.8
79.05585	21.6
81.03428	2.8
81.06641	1.8
81.07146	28.7
82.06179	0.5
83.04984	11.7
83.08708	13.7
85.02976	1.1
85.06547	6.3
86.09792	1.1
87.04474	2.9
88.07725	0.7
90.33273	0.5
90.55892	0.5
91.05483	10.9
93.07049	24.0
94.06647	0.9
95.04974	6.0
95.08612	23.8
97.02910	3.2
97.05942	1.0
97.06537	26.4
97.10172	13.7
98.97575	3.5
99.04522	0.6
99.08092	13.3
103.05473	6.9
105.07030	9.6
106.04267	0.7
107.04285	1.8
107.04960	49.9
107.08600	25.9
108.05363	0.8
109.02924	1.1
109.06598	2.1
109.10159	10.4
111.08077	8.1
113.06079	1.2
113.09690	0.9
115.04028	0.7
115.05470	3.6
116.98657	2.8
117.07023	5.5
119.05031	1.9
119.06111	1.1
119.08614	3.1
120.05790	2.0
121.06532	3.8
121.10149	25.7
122.03684	0.7
123.04440	5.8
123.08080	2.6
123.11722	4.4
124.05254	2.6
125.02399	1.3
125.06011	2.4
125.09637	11.4
127.03968	2.7
128.06268	1.0
129.07095	1.6
131.04979	2.0
131.08589	4.7
131.38594	0.4
133.10150	3.6
134.99713	2.2
135.04549	0.5
135.08055	16.7
135.11697	11.5
137.06024	1.7
137.09627	1.0
137.13234	3.5
139.03938	0.8
139.07594	1.6
139.11250	1.5
141.05525	0.9
141.09102	0.5
142.07811	1.3
143.00793	0.5
143.03450	0.7
143.08636	1.9
145.07642	1.2
146.99623	0.6
147.04436	1.1
147.08133	0.7
147.11713	2.2
148.97374	0.6
149.06029	1.1
149.09631	4.2
149.13283	9.2
151.03915	1.9
151.07549	1.0
152.04744	2.4
152.06264	1.1
153.01913	0.6
153.05501	0.8
153.09135	2.0
154.06279	2.3
155.08530	0.9
157.10114	2.8
158.99687	0.8
159.11710	5.6
163.03838	0.6
163.07553	28.9
164.07956	1.1
165.05576	0.6
165.07007	0.6
165.09192	0.8
165.10593	0.6
165.12762	1.3
165.16364	0.7
167.07051	100.0
167.10738	2.2
167.14317	6.5
168.07408	2.0
169.06422	0.6
169.10136	0.7
171.11714	2.0
177.00682	2.1
177.09111	1.8
177.12827	5.4
177.16393	33.7
180.07832	3.0
180.09312	1.1
181.08574	1.1
183.17375	0.7
185.09688	2.5
185.13246	1.5
189.11186	1.5
195.10193	21.2
195.11761	1.3
195.13803	16.8
195.17464	5.9
207.13881	0.7
213.03719	0.9
213.05495	1.3
213.09033	4.9
213.11198	6.0
213.12750	3.2
213.14772	26.7
213.16396	1.8
213.18369	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	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03956	1.0
55.01873	9.7
55.05513	43.5
57.03424	1.0
57.07071	0.9
59.05007	1.0
60.08205	0.4
67.05508	19.2
69.03436	4.2
69.07070	8.9
69.46638	0.5
70.06574	0.4
70.57888	1.2
71.01333	0.4
71.04995	48.0
79.05497	12.8
81.03419	1.3
81.07059	21.1
83.04987	3.9
83.08620	31.1
83.39214	0.4
85.02908	0.7
85.06544	5.0
87.04472	7.5
91.05480	4.4
93.07048	13.8
93.07629	0.8
95.04932	0.9
95.08615	7.1
97.06535	62.8
97.10172	42.6
98.97585	0.4
99.04480	0.4
99.08106	0.9
99.40076	0.5
101.05978	0.9
101.09673	1.5
105.07039	3.2
107.04940	1.6
107.07867	0.7
107.08596	14.9
109.02948	0.4
109.06503	1.3
109.10159	12.5
111.08101	3.6
113.06003	1.1
117.07018	3.8
119.04962	0.5
119.08584	1.2
121.06479	1.0
121.10146	3.8
123.08097	0.9
125.09633	26.6
127.03944	1.6
127.07594	0.5
129.07062	0.6
129.98975	0.4
131.08589	3.6
133.10158	3.7
134.91469	0.4
135.08073	5.2
135.11708	4.8
142.07744	1.2
143.08551	1.7
143.10649	0.6
147.11687	0.6
149.09613	1.0
149.13254	4.1
151.11159	0.5
153.09099	1.6
157.10120	1.8
159.11694	4.1
163.07567	0.6
165.12743	0.8
167.07050	1.6
167.14314	1.1
171.10269	0.7
171.11708	1.9
177.12755	6.2
177.16365	1.5
185.09607	1.2
185.13239	0.7
189.11214	6.1
195.13818	35.0
196.14146	0.4
213.09291	4.1
213.14839	100.0
214.15176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
52.70995	1.2
53.03931	3.3
55.01870	14.9
55.05513	49.1
56.96564	2.7
57.03442	2.9
57.07065	3.3
59.04983	2.7
65.17368	1.5
66.95792	1.4
67.05173	1.5
67.05504	24.2
69.03419	6.1
69.07061	13.4
69.35361	5.7
69.35784	8.0
71.04994	51.6
71.25864	1.2
72.93799	1.5
73.16809	1.5
73.32938	1.1
79.05493	17.1
79.09918	1.5
81.07055	28.7
83.04977	6.1
83.08617	36.3
85.06528	5.0
87.04474	8.2
88.07632	2.6
90.34415	1.4
91.05472	7.2
93.07034	20.3
95.04975	2.9
95.08600	13.2
97.06533	69.5
97.09547	2.4
97.10168	46.7
99.04454	1.5
101.09674	2.9
105.07027	4.5
107.04952	3.0
107.08599	19.7
109.06517	1.6
109.10167	15.2
111.08051	3.4
117.07024	3.7
117.92335	1.3
119.08601	3.2
121.05625	1.3
121.06480	3.1
121.10128	6.3
123.11692	1.5
125.05986	2.1
125.09630	31.0
127.03895	2.0
128.06178	2.6
129.06929	2.4
131.08574	7.2
133.10114	4.9
135.08028	4.4
135.11681	6.7
137.06010	2.0
142.07733	3.1
143.08571	7.4
149.09651	2.4
149.13213	7.4
153.09073	3.6
155.08519	1.6
156.09355	1.9
157.09007	1.9
157.10138	11.1
159.11682	6.2
165.06955	1.7
167.07010	4.1
167.08507	1.7
167.14325	1.8
169.10135	2.3
170.10939	1.8
171.07957	1.8
171.11707	7.6
176.09714	1.9
177.09077	1.9
177.12830	7.8
177.16367	3.5
180.09360	1.7
185.09599	1.5
185.13254	2.5
189.11221	6.6
195.11827	4.1
195.13809	39.8
197.24022	1.4
198.10446	1.3
213.05402	4.0
213.09174	4.1
213.12740	9.1
213.14833	100.0
213.16437	15.2
213.24089	5.7
214.12936	1.6
214.15141	2.4
226.34676	1.3
234.85275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03928	2.8
55.01869	10.4
55.05511	43.4
55.65592	1.0
56.21812	1.0
56.96570	1.5
57.03416	1.8
57.07054	1.7
59.04981	1.9
67.05505	20.5
69.03429	7.3
69.07068	13.4
71.04992	42.9
71.59491	2.1
73.06572	1.2
76.72879	1.1
79.05491	13.2
81.03388	3.2
81.07056	25.7
83.04984	7.0
83.08142	1.9
83.08613	27.8
85.02874	2.7
85.06544	6.1
85.10141	1.2
86.08592	1.0
87.04461	6.5
88.07584	1.4
91.05470	5.4
93.07044	17.7
95.04946	3.5
95.08604	12.4
95.12846	1.0
97.06528	60.4
97.10172	38.7
99.04429	1.7
99.08083	2.6
100.54955	1.1
101.09666	1.1
102.31086	1.0
105.06997	4.4
107.04945	2.7
107.08588	20.6
109.02847	3.9
109.06498	2.0
109.10159	15.2
110.03608	1.0
111.08057	3.7
112.33022	1.1
113.05968	1.4
116.48382	1.1
117.06983	4.2
119.08588	2.0
121.06496	2.0
121.10130	6.5
123.11640	1.2
125.08780	1.9
125.09628	24.5
127.03889	7.3
128.06204	1.6
129.06956	2.7
131.08536	5.0
133.10060	4.3
135.08057	5.6
135.11671	7.4
137.05930	1.2
142.07735	2.3
143.08569	5.6
143.10558	1.1
149.09561	2.6
149.13197	4.6
151.14742	1.7
153.01782	1.8
153.09074	1.7
156.09288	2.0
157.10127	6.0
159.11659	4.6
161.02870	1.3
163.07506	1.2
163.38329	1.1
165.06979	3.2
167.06989	3.7
167.08430	1.6
169.10101	1.2
170.10860	1.8
171.07935	1.5
171.11671	3.8
177.12764	7.3
177.16336	2.6
180.09366	2.1
183.11671	1.3
185.09595	2.1
185.13188	4.5
189.11203	7.4
195.10132	1.2
195.11742	3.4
195.13794	32.2
198.10440	1.6
213.03702	1.6
213.05537	2.6
213.09000	5.0
213.12724	10.3
213.14793	100.0
213.16223	4.3
214.15118	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03936	3.2
55.01862	5.3
55.05513	20.7
57.03429	10.5
57.07063	2.3
59.33315	1.9
67.05506	72.8
69.03426	5.9
69.07065	24.9
69.45549	11.0
69.45956	4.3
71.01354	5.4
71.04988	11.3
73.02919	2.2
79.05497	42.5
81.03416	8.1
81.07059	100.0
83.04981	17.0
83.08620	19.8
85.02889	10.4
85.06548	6.9
88.07609	2.2
91.05481	21.8
93.07050	56.8
95.04978	10.3
95.08611	27.3
97.02907	3.5
97.06536	17.4
97.10151	2.1
99.04443	2.1
99.08112	3.8
105.07043	12.4
107.04973	7.2
107.08594	36.0
109.02890	6.8
109.06548	4.5
109.10178	5.8
111.04452	4.6
111.08112	8.9
113.06028	2.2
113.09636	1.8
117.07047	10.9
119.08548	9.4
121.06499	2.3
121.10165	17.4
123.04414	4.8
123.11734	4.7
127.03909	12.5
128.06218	2.9
129.07033	4.4
131.08575	13.5
133.10139	15.1
135.08052	2.7
135.11697	17.5
142.07796	5.9
143.08563	22.1
145.10175	8.8
149.13266	39.3
151.03954	2.2
153.01823	3.8
156.09286	2.8
157.10127	25.6
157.11298	2.3
159.11694	22.4
162.53728	1.7
167.06993	8.8
167.14375	1.8
170.10832	2.3
171.11694	21.6
177.12740	10.7
177.16443	6.1
185.09511	3.2
185.13217	4.0
195.10175	2.2
195.12091	2.5
195.13799	15.0
198.14064	1.9
213.05573	4.9
213.07484	3.9
213.09210	6.4
213.12820	7.8
213.16420	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.09003	1.8
53.03937	2.7
55.01862	4.1
55.05265	1.8
55.05505	18.0
57.03452	8.8
57.07058	4.2
58.53359	1.5
60.39435	1.5
67.05501	71.3
69.07063	20.0
69.16965	1.7
69.56908	4.4
69.57321	9.6
71.01337	2.0
71.04971	5.6
79.05495	34.0
81.03407	3.1
81.07054	100.0
83.04969	12.3
83.08622	19.9
85.02877	4.8
85.06527	5.6
88.07613	1.9
91.05481	17.5
93.07038	58.7
95.04955	6.7
95.08601	20.3
96.58433	1.9
97.02856	3.1
97.06532	13.4
97.10176	1.8
99.08092	4.2
105.06978	8.9
107.08594	30.6
109.10134	4.1
111.04445	2.5
111.08073	9.0
115.95780	1.6
117.07016	8.4
119.08577	3.1
121.10134	13.3
123.11702	3.9
125.27060	1.6
127.03906	1.9
129.05460	1.7
131.08575	9.6
133.10094	12.2
135.08046	3.1
135.11684	16.4
139.11191	2.0
142.07741	1.9
143.08539	4.8
147.11707	2.2
149.13254	46.9
153.05368	1.9
153.93192	2.0
157.10097	7.0
159.11670	21.7
159.42328	1.9
163.55865	1.9
167.14279	2.6
170.10880	2.1
171.11668	6.1
177.12732	9.6
185.13248	2.1
195.11998	2.5
195.13791	10.2
213.09209	2.6
213.12730	6.2
213.16429	15.0
221.13051	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.05267	1.2
55.05512	19.2
56.96545	1.7
57.03430	1.9
57.07075	12.3
67.05506	8.6
69.03423	1.8
69.07071	10.6
71.04993	1.3
71.59012	1.1
71.59379	1.1
79.05490	6.4
81.07062	8.9
83.04985	10.0
83.08614	2.7
85.06552	5.9
88.07627	1.6
91.05465	6.3
93.07048	17.6
94.45308	0.9
95.04948	3.1
95.08613	14.0
97.06544	6.6
105.07024	7.7
107.04978	1.6
107.08596	23.2
109.06518	5.1
109.10120	4.5
111.04441	100.0
111.08071	4.5
113.06013	1.5
115.05439	1.2
117.07029	4.0
119.08588	4.5
121.06493	4.3
121.10149	3.7
123.08043	1.8
125.05999	26.1
127.07565	2.5
128.06204	4.5
129.07025	8.8
130.07813	1.4
131.08562	2.4
133.10153	2.0
135.08052	15.3
135.11687	25.7
136.11757	1.0
137.13217	1.2
139.07542	6.0
141.06950	2.0
142.07762	10.3
143.08571	28.6
145.10121	21.5
149.13313	2.3
153.12714	7.3
155.08566	2.3
156.09352	10.6
157.10133	49.2
158.10817	1.6
159.11681	1.3
163.11183	25.7
164.11604	1.0
165.06996	2.1
167.08539	1.7
169.10185	3.1
170.10951	5.1
171.08026	2.0
171.11691	42.7
180.09399	2.2
181.12231	64.6
183.11720	3.4
184.12518	2.4
185.13274	8.1
190.16222	1.0
195.11702	5.4
195.13812	4.3
198.10442	2.3
198.14026	3.6
207.80682	0.9
213.05533	2.1
213.09035	1.4
213.13020	18.1
213.16393	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46413	2.7
53.03941	6.1
55.01867	6.6
55.05311	2.6
55.05509	31.3
56.51988	2.6
56.96297	5.2
56.96563	100.0
57.03419	12.6
57.07062	8.5
64.30366	2.7
67.05177	4.9
67.05506	72.0
69.07071	36.2
70.54563	8.3
70.98103	8.7
71.04994	14.9
71.08615	12.9
71.08957	2.6
71.95250	6.1
74.97602	6.7
79.05493	33.3
81.07053	96.7
82.56193	3.0
83.04970	8.7
83.08621	21.7
85.06554	3.3
88.07632	3.0
88.57779	2.8
88.99159	3.2
91.05495	18.9
93.06461	5.1
93.07040	66.1
95.04978	7.3
95.08611	31.3
97.06517	16.8
97.10152	5.0
99.08083	12.0
103.26340	2.8
105.07012	11.3
107.04896	2.8
107.08593	31.4
109.06544	4.3
109.10156	12.1
111.08074	10.2
117.07001	8.5
119.08581	6.0
121.10139	18.2
123.11666	3.2
127.05922	2.8
129.06992	7.6
129.37915	3.2
129.54164	3.5
131.08545	9.5
133.10098	6.9
135.11749	16.8
137.07249	6.8
141.05681	6.5
142.06470	5.8
142.07771	3.8
143.08559	9.7
144.06140	5.1
144.07990	4.1
146.99625	4.3
149.13257	47.5
150.06148	4.4
150.13678	3.4
151.06970	13.3
153.57233	5.2
156.09314	8.2
157.08969	3.5
157.10098	19.7
159.11703	16.4
160.07478	8.3
162.09792	3.6
163.10582	7.2
170.10927	5.6
171.11717	15.3
172.11113	9.9
176.09616	23.5
176.59740	5.3
177.12697	6.5
178.59901	3.6
179.11920	16.7
179.62056	3.6
183.61917	4.3
185.10130	17.4
185.13257	10.8
186.10916	5.3
187.60359	9.9
192.10876	14.6
194.10431	3.8
194.60902	3.1
195.11717	6.9
195.13803	7.7
196.60939	4.3
201.11349	15.9
201.61588	7.1
203.61694	3.7
210.11945	3.7
212.62199	4.2
213.09328	3.2
213.11136	3.2
213.12852	31.9
213.16389	28.4
231.09033	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	213.1277
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.03927	0.4
55.01877	1.4
55.05509	1.6
57.03428	0.2
57.07056	0.7
65.03938	0.3
67.01875	0.2
67.05482	0.6
68.42233	0.2
69.03421	0.3
69.06726	0.2
69.07075	2.8
71.60155	0.3
77.03952	0.3
77.22545	0.2
79.05498	2.1
81.07038	0.9
83.08614	0.6
88.07627	0.2
91.05476	2.9
93.07056	1.8
95.04990	0.4
95.08600	0.7
103.05464	0.3
105.07035	4.1
107.04957	2.2
107.08551	1.1
109.10207	0.2
115.05413	1.3
116.06201	0.2
117.07024	1.2
119.08584	4.7
121.06501	0.8
121.10106	0.5
128.05273	0.3
128.06219	6.6
129.07008	10.1
130.07767	0.7
131.04918	0.4
131.08568	2.7
133.06447	0.4
133.10135	1.0
134.07155	0.2
141.06982	4.3
142.07779	10.6
143.08566	21.7
144.09361	1.4
145.06474	0.9
145.10121	4.6
149.93939	0.2
152.06244	0.3
153.07027	1.4
154.07787	1.0
155.05969	0.3
155.08559	8.6
155.09865	0.4
156.09348	11.4
157.06573	2.7
157.10130	36.6
158.07195	0.3
158.10631	0.9
159.08000	0.5
159.11690	0.5
165.06996	3.3
166.07756	0.5
167.07205	0.4
167.08556	2.2
168.09315	0.6
169.06488	0.9
169.10130	7.8
170.07262	0.7
170.10916	11.4
171.08069	7.2
171.11696	24.6
172.08836	1.3
172.12346	0.7
173.09592	0.3
179.08592	0.3
180.09346	4.1
181.09993	0.3
182.10910	0.5
183.08064	3.5
183.11665	3.0
184.08849	4.0
184.12505	2.1
185.09650	7.0
185.13261	23.4
186.13643	0.5
195.11697	10.1
196.12274	0.4
197.09630	0.7
198.10403	12.3
198.14050	1.7
199.10768	0.4
211.14810	0.4
213.12766	100.0
213.16312	50.7
214.13190	1.9
214.16696	0.9
214.21587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1273
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.03955	0.3
55.01872	1.4
55.05507	1.8
57.03444	0.2
57.07060	0.6
67.05498	0.6
69.03420	0.5
69.07065	2.5
71.08620	0.2
71.58699	0.2
77.03944	0.2
79.05492	2.8
79.09037	0.1
81.03412	0.2
81.07053	1.0
83.04958	0.2
83.08614	0.5
91.05472	3.6
93.07043	1.9
95.04971	0.9
95.08589	1.3
97.10152	0.2
103.05472	0.4
105.03421	0.2
105.07024	4.3
107.04952	2.9
107.08591	1.4
109.10136	0.3
115.05415	1.7
116.06283	0.1
117.07014	1.6
119.04902	0.6
119.08575	5.1
121.06521	0.8
121.10152	0.5
127.05420	0.2
128.06215	7.2
129.07002	11.2
130.07751	0.6
131.04944	0.5
131.08553	3.1
133.06514	0.6
133.10138	1.1
141.06976	5.5
142.07777	13.5
143.08554	25.0
144.09370	1.3
145.06473	0.9
145.10109	4.9
147.08043	0.2
147.11713	0.2
153.06978	1.4
154.07776	1.0
155.08546	10.0
156.09340	13.2
157.06555	2.5
157.10120	40.4
158.07213	0.6
158.10628	1.1
159.07996	0.7
159.11646	1.0
165.05577	0.2
165.07004	3.9
166.07780	0.7
166.13208	0.2
167.08539	2.3
168.09320	1.0
169.06400	1.1
169.10129	8.2
170.07300	1.2
170.08698	0.3
170.10899	12.3
171.08061	7.4
171.11679	25.5
172.08803	1.4
172.12128	1.0
173.09511	0.2
175.36559	0.1
179.08537	0.5
180.09322	4.8
181.10040	0.3
182.10913	0.6
183.08041	3.9
183.11691	3.0
184.08844	4.5
184.12448	3.0
185.09651	6.7
185.13246	24.3
186.13528	0.9
195.11688	10.3
196.12167	0.5
197.09583	0.8
198.10388	12.3
198.14020	2.2
199.10843	0.2
211.14745	0.4
213.12747	100.0
213.16281	47.3
214.13069	2.8
214.16701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1274
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.03945	0.3
55.01870	1.5
55.05516	1.7
57.03445	0.2
57.07064	0.7
63.02365	0.2
65.03945	0.2
67.05508	1.2
69.03422	0.5
69.07065	1.9
70.84084	0.3
70.84430	0.3
71.04987	0.3
77.03941	0.2
79.05492	3.0
81.03405	0.3
81.07051	1.5
83.04970	0.3
83.08601	0.4
84.11484	0.2
88.07658	0.3
89.18144	0.2
91.05479	3.3
93.07043	2.8
94.77875	0.2
95.04976	0.9
95.08587	1.1
97.06531	0.2
103.05476	0.6
105.06374	0.3
105.07030	4.3
107.04954	3.1
107.08593	1.4
109.10164	0.5
114.66379	0.2
115.05426	1.4
117.07011	1.4
119.04971	0.2
119.08586	4.0
121.06507	0.9
121.10126	0.3
128.06219	6.8
129.07007	10.0
130.07771	0.7
131.04948	0.6
131.08572	2.3
133.06476	0.7
133.10124	0.9
133.44109	0.2
141.06979	5.0
142.07780	10.9
143.08556	19.8
144.09383	1.0
145.06487	1.0
145.10114	4.5
145.11256	0.3
147.11591	0.2
149.13280	0.4
152.06206	0.6
153.06973	1.4
154.07771	1.2
155.06070	0.4
155.08548	9.5
156.09341	10.9
157.06560	2.6
157.10124	29.7
158.07242	0.5
158.10564	0.5
159.08075	0.6
159.11679	0.8
165.07005	3.5
166.07765	0.7
167.07214	0.3
167.08551	2.1
168.09328	0.9
169.06439	1.0
169.10136	6.4
170.07289	1.0
170.10910	11.2
171.08057	7.0
171.11688	17.4
172.08862	1.4
172.12263	0.4
173.09540	0.2
179.08578	0.5
180.09340	3.8
180.10829	0.1
181.10155	0.3
182.10959	0.4
183.08041	3.6
183.11676	2.2
184.08839	4.2
184.12486	1.9
185.09657	5.2
185.13254	20.9
186.13557	0.6
195.11691	9.1
196.12100	0.3
197.09637	0.6
198.10394	9.9
198.14005	1.2
199.10832	0.4
213.12744	100.0
213.16226	28.6
214.13092	3.3
214.16718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03954	0.7
54.36224	0.4
55.01865	0.4
56.96568	0.3
57.39966	0.4
63.61381	0.3
67.05506	0.6
67.43522	0.4
70.06596	0.6
70.85114	0.7
70.85416	0.4
72.08147	0.4
78.04726	1.8
79.05498	6.7
81.03422	0.5
81.07056	0.8
83.44549	0.4
86.09706	0.4
91.05487	4.0
93.07047	1.0
95.04947	2.8
97.02888	0.4
98.97605	0.6
103.05472	7.2
105.04542	0.3
105.07028	4.8
106.04150	0.8
107.04959	48.8
107.08587	0.9
108.05286	0.3
109.02927	0.4
111.04476	0.4
115.05452	2.3
117.07028	1.1
119.04948	1.7
120.05719	1.7
121.06499	1.0
123.04428	4.7
124.05206	2.3
125.05995	2.1
131.04938	2.0
133.02803	0.3
133.06517	0.5
135.08055	14.9
135.11711	1.4
137.05989	1.2
139.03912	0.4
145.07603	0.8
147.04454	0.8
148.05095	0.4
148.97400	0.5
149.06013	0.7
151.03888	1.3
152.04704	2.2
154.06247	2.2
157.10167	0.4
161.41092	0.3
163.07552	29.8
164.08052	0.4
165.05521	0.6
167.07047	100.0
168.07401	1.0
177.09079	0.4
180.07811	2.8
181.08646	0.7
195.10176	18.7
213.09172	0.7
213.11159	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	213.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01854	1.6
55.05494	0.7
56.96570	5.1
57.03419	0.9
57.07054	0.5
60.40396	0.4
61.02914	0.5
64.34034	0.4
65.03921	0.8
66.43712	0.4
67.05493	1.2
69.03436	2.2
69.07062	0.7
69.55944	2.8
70.06592	1.2
70.73016	0.5
71.04964	0.6
71.95284	0.4
72.08126	0.4
73.02902	0.7
73.17825	0.4
78.04704	1.6
79.05489	8.8
81.03432	1.1
81.07066	1.8
83.04974	0.6
83.08586	0.5
85.02901	3.1
86.09704	0.8
87.04487	0.5
88.07606	0.7
91.05482	13.9
91.86639	0.4
92.05786	0.4
93.07048	2.0
95.04972	3.5
95.08598	0.8
97.02885	2.1
97.06505	0.9
98.20826	0.7
98.97585	20.6
99.04490	0.6
99.08100	0.6
103.05463	7.2
105.07035	8.4
106.04196	0.8
107.04956	49.5
107.08592	3.7
108.05235	0.4
109.02834	1.0
109.06503	0.6
109.10022	0.4
110.97583	0.7
111.04456	0.4
111.08051	0.6
115.05482	3.0
116.98624	15.6
117.07021	2.4
117.99005	0.5
119.01842	0.5
119.04944	6.9
119.08589	3.5
120.05721	2.5
121.06503	1.0
121.10137	1.7
122.03664	0.5
123.04442	5.5
123.08065	1.2
124.05242	3.0
125.06012	1.8
125.09643	0.9
127.03922	3.3
128.06195	0.5
128.98598	0.7
129.07004	1.2
130.07771	0.7
131.04971	1.8
131.08571	1.7
133.01730	0.8
133.02785	0.5
133.06506	1.8
134.03648	0.6
134.99667	9.0
135.08064	14.1
135.09114	0.7
135.11681	0.5
137.05977	1.0
139.03932	0.7
139.07562	0.5
140.00238	1.2
141.05661	1.2
141.06973	0.5
142.07785	0.8
143.08551	1.2
145.06529	0.4
145.07605	1.1
145.10112	3.1
146.99605	0.8
147.04376	1.1
147.08038	1.3
147.11691	4.8
148.12085	0.5
149.05991	0.9
149.09599	1.8
150.06204	1.1
151.03970	1.9
151.04970	0.4
152.04736	2.0
153.00739	1.4
153.01826	23.6
153.05487	0.6
154.06270	2.2
155.08545	0.6
156.09312	1.2
157.01747	0.6
157.10049	1.0
158.01250	0.6
158.99661	6.9
159.08112	0.4
161.01260	0.7
163.07549	29.2
165.05516	0.8
165.06898	0.5
167.07045	100.0
168.06201	0.8
168.07445	1.2
169.08224	1.4
169.09933	0.5
171.02888	0.6
171.07932	0.4
171.11691	1.8
174.06068	0.6
174.10464	0.5
175.02791	0.7
177.00719	15.6
177.06879	0.8
177.09096	1.4
180.07867	2.5
180.09335	0.5
181.08699	0.7
183.06711	1.5
185.03012	0.5
185.13283	0.8
189.00656	0.6
189.12775	3.5
192.07274	1.3
195.01750	1.7
195.06522	1.5
195.10168	20.6
195.11609	1.0
197.04810	0.5
200.02347	1.6
203.04036	0.9
213.07393	2.2
213.09322	1.1
213.11021	5.0
213.12796	1.5
213.16628	0.5
213.57985	0.6
214.06789	1.1
219.01768	1.0
222.08325	1.4
233.59169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.02375	0.6
53.03937	1.0
58.38883	0.6
71.19672	1.1
78.04701	1.3
79.05497	7.6
81.07028	0.8
91.05475	5.3
95.04994	2.6
103.05478	7.1
105.07045	5.0
106.04157	1.3
107.04960	53.5
107.08595	1.3
109.02873	0.8
115.05449	3.2
117.07036	1.5
119.04965	1.8
120.05723	1.8
121.06503	0.9
122.03580	0.6
123.04424	6.2
124.05251	3.1
125.05962	0.9
126.27210	0.5
131.04897	2.0
133.06543	0.9
135.08067	13.3
137.05977	1.0
139.03905	0.7
139.07559	0.5
149.05989	1.0
151.03889	1.6
152.04697	1.8
154.06247	2.0
163.07553	32.1
165.05547	0.7
166.60097	0.6
167.07050	100.0
168.07387	0.9
169.08189	0.9
180.07822	3.6
181.08578	0.8
194.30052	0.6
195.10176	20.3
213.11160	5.0
213.13010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
55.01857	1.9
55.05510	4.4
57.03424	1.8
60.95052	0.6
65.03937	1.0
67.01832	0.7
67.05500	2.9
69.03406	2.5
69.07054	3.1
69.29694	8.2
71.01363	3.7
71.04977	2.2
71.08579	0.9
78.04704	2.6
79.05498	9.3
81.03406	2.1
81.07062	4.2
83.04985	4.3
83.05389	0.7
83.08640	1.5
85.02905	5.9
85.06519	1.1
88.07619	1.0
90.77314	0.6
91.05486	5.9
93.07043	4.9
95.04969	5.3
95.08602	2.7
97.02881	1.7
97.06515	2.5
99.04456	1.6
99.08104	1.2
102.71220	0.7
103.05460	7.9
105.07034	9.0
106.04183	0.8
107.04960	52.2
107.08598	4.6
109.02875	2.6
109.06509	1.6
109.10150	2.1
111.04441	3.8
111.08067	0.8
115.05479	3.6
117.07014	2.0
119.04975	0.7
119.08567	3.0
120.05728	2.5
121.06480	0.8
121.10114	1.2
123.04421	6.6
123.11734	0.9
124.05208	4.2
125.05969	1.8
127.03928	2.6
128.06209	2.6
129.05492	1.1
129.06990	2.6
131.04930	2.1
131.08604	1.4
133.06458	1.7
133.10223	1.7
135.08063	15.8
135.11647	1.2
137.05943	1.9
139.03925	1.6
141.07036	1.1
142.07773	3.6
143.08559	12.4
145.07640	1.3
145.10110	1.3
147.04460	1.0
148.97380	0.8
149.05986	1.2
149.09680	1.1
151.03932	2.5
152.04645	2.0
153.01842	7.2
153.05486	1.1
154.06242	1.8
155.08569	1.9
156.09343	3.8
157.06488	0.9
157.08932	1.1
157.10136	11.6
159.11703	0.9
163.07550	31.2
165.05565	1.1
165.06970	0.8
167.07047	100.0
169.10123	1.4
170.10843	1.6
171.02933	1.1
171.08089	1.0
171.11708	10.9
177.16368	1.3
180.07819	3.0
183.08064	0.8
183.11734	2.0
185.09630	1.2
185.13284	3.4
194.88080	0.8
195.06473	1.8
195.10165	19.6
195.11732	1.9
195.13895	0.8
198.10411	1.2
198.14091	2.3
213.05539	1.6
213.07491	2.4
213.09221	2.0
213.11145	3.6
213.12827	6.1
213.16402	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0911
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
53.03953	0.6
55.01873	1.6
55.05515	2.6
55.88212	0.4
56.96578	0.5
57.03428	0.5
58.41869	0.4
59.05003	0.6
65.03944	1.8
67.05511	3.3
68.99784	0.9
69.03429	2.1
69.07086	2.3
70.06592	1.4
71.04993	4.4
71.36002	1.1
71.36352	0.5
79.05495	3.4
80.93155	0.4
81.03426	0.9
81.07059	5.6
81.56615	0.5
83.04974	1.8
83.08627	1.4
85.06555	1.0
86.09709	0.6
88.07629	1.5
91.05487	76.7
92.05775	0.5
92.86590	0.6
93.07038	4.7
95.04983	5.6
95.08614	4.6
96.34490	0.4
97.02881	1.3
97.06535	2.0
97.10150	0.6
98.97587	0.7
99.08089	1.8
100.07623	0.5
103.05473	1.6
105.03389	1.0
105.07037	2.2
107.04958	17.5
107.08600	3.8
109.02903	0.6
109.06520	0.9
109.10099	1.2
111.04444	0.8
111.08091	1.5
113.05971	0.7
115.05471	1.4
117.07021	1.1
119.04951	100.0
120.05754	7.9
121.02866	1.8
121.06532	2.3
121.10165	3.3
123.04434	1.0
123.08112	0.8
125.02333	0.5
125.05965	0.8
125.09628	1.0
127.03900	1.1
128.06239	0.8
129.07001	1.6
131.04948	1.4
131.08537	1.2
133.10139	1.2
134.99635	0.4
135.08084	2.7
135.11720	2.3
137.05995	0.9
137.09644	0.7
139.03908	6.4
141.07030	1.0
142.07826	1.1
143.03378	0.5
143.08543	1.8
147.11746	0.9
148.97356	1.3
149.05981	1.7
149.09622	0.8
149.13275	1.4
151.03931	1.0
152.06232	4.8
153.01849	1.5
153.05530	1.0
153.06970	0.8
154.06245	1.0
155.03395	1.3
155.08517	0.7
156.09334	0.7
157.06496	2.6
157.10118	2.2
158.99683	0.5
159.11708	1.4
163.07545	2.8
165.07014	5.3
166.07751	2.3
167.07056	12.6
167.08580	7.8
167.10716	0.7
167.14368	0.6
169.06471	0.8
170.07329	0.8
170.10954	0.8
171.02948	3.7
171.08084	1.2
171.11697	1.2
176.06204	2.4
177.05489	3.2
177.07018	4.7
177.09157	0.6
177.12737	1.7
177.16411	3.1
180.09431	0.5
181.05103	0.9
181.06447	0.8
183.08066	0.9
185.07213	1.1
185.09666	2.0
185.13304	1.2
194.07399	1.2
195.06512	6.5
195.08090	6.9
195.10178	2.4
195.11757	1.0
195.13800	2.1
198.06758	1.9
213.07481	7.2
213.09142	29.3
213.12431	2.7
213.14651	0.7
213.16557	2.4
213.18311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0907
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
50.50158	0.3
53.03958	0.4
53.13110	0.3
55.01877	1.1
55.05506	1.6
55.76212	0.4
56.96568	2.1
57.03473	0.5
57.07065	0.5
59.04992	0.3
65.03941	1.7
65.90491	0.3
67.05513	1.8
69.03423	1.4
69.07074	1.7
70.06595	1.4
71.04995	1.8
71.60519	0.7
72.08154	0.9
79.05495	2.3
81.03424	0.6
81.07068	2.3
83.04989	0.9
83.08612	1.0
85.02911	0.6
85.06552	1.3
86.07048	0.4
86.09726	2.3
88.07639	0.9
89.22628	0.3
90.94839	0.4
91.05486	81.2
92.05805	0.8
93.07053	2.7
95.04974	4.4
95.08611	2.1
97.02914	0.5
97.06519	1.1
97.10183	0.7
98.97584	2.4
99.04477	0.4
99.08096	1.1
105.03399	1.0
105.07052	1.4
107.04965	11.7
107.08587	2.5
108.28648	0.3
109.06497	0.8
109.10140	0.8
111.04443	0.7
111.08105	0.8
116.89362	0.4
116.98647	2.2
117.07056	0.4
119.04949	100.0
120.05761	7.8
121.02875	1.5
121.06481	0.4
121.10147	1.9
123.08071	0.6
125.06006	0.9
125.09622	0.8
128.06224	0.6
128.98636	0.4
129.06993	1.1
131.04907	0.8
131.08635	0.7
133.10152	1.0
134.99670	2.0
135.08066	0.7
135.11690	1.4
137.05994	0.8
139.03839	0.5
139.07512	0.5
141.07001	0.9
141.69380	0.3
142.07831	0.8
143.08589	1.0
144.05772	0.7
145.06480	0.7
145.10155	0.4
146.99696	0.6
147.11713	1.1
148.97380	1.2
149.05927	0.4
149.09644	0.8
151.03882	0.5
152.06218	6.1
153.05467	0.5
153.07047	0.6
153.09096	0.4
155.08498	0.8
156.09297	0.4
157.06487	1.5
157.10136	1.5
158.99722	0.4
159.11673	0.7
163.07584	0.8
165.06996	6.1
165.08292	0.5
166.07759	1.2
167.03381	0.4
167.07063	3.6
167.08588	6.7
167.10715	0.5
169.06470	1.1
169.07777	0.4
170.07315	0.8
170.10919	0.5
171.08057	0.9
171.11659	0.7
176.06227	2.3
177.00760	1.4
177.07011	5.7
177.12790	0.7
177.16368	1.8
181.06415	0.7
183.08081	0.8
185.09642	1.6
185.13281	0.9
185.16495	0.5
189.00632	0.5
194.07283	0.9
195.08051	6.4
195.10049	0.8
195.11768	0.9
195.13815	1.2
197.05965	0.4
198.06747	1.8
213.05707	0.8
213.09123	31.8
213.12730	2.4
213.16423	1.5
214.09496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01876	2.5
55.05260	1.1
55.05513	15.5
55.15873	0.8
56.68215	0.8
56.96571	1.9
57.03429	2.5
57.07085	3.8
59.01818	0.7
59.04998	2.3
62.34893	0.7
65.03933	0.9
67.05506	26.5
69.03434	11.5
69.06717	1.6
69.07069	19.5
69.42817	6.3
71.05006	4.4
71.08623	1.6
78.04711	0.8
79.05483	6.7
81.03425	3.8
81.07062	32.0
83.04532	1.5
83.04979	12.7
83.08620	10.7
85.06557	4.1
91.05482	11.1
93.07046	17.0
95.04978	4.5
95.08609	44.4
97.02905	1.3
97.06528	4.6
97.10165	2.3
99.08095	40.0
105.07037	14.1
106.04163	1.2
107.04982	1.1
107.08599	29.5
109.06531	13.5
109.10158	100.0
111.04445	2.3
111.08062	5.6
113.06042	0.9
113.09645	2.2
117.07041	1.1
119.04972	1.5
119.08592	26.3
121.06528	2.3
121.10143	16.4
123.04433	5.1
123.08072	15.7
123.11712	11.8
125.05982	1.0
125.09628	3.3
127.11173	1.8
131.08522	1.4
133.06506	2.4
133.10129	23.0
135.11696	68.5
136.12064	1.0
137.05989	7.4
137.09631	20.6
137.13216	1.0
139.07498	1.2
139.11194	4.0
141.07008	1.0
146.85956	0.8
147.11707	7.0
149.09599	1.3
149.13242	7.5
151.07535	2.5
151.11200	12.9
151.14815	12.4
153.12769	4.1
155.08582	3.3
157.10101	1.8
165.09106	0.8
165.12756	3.2
165.16397	2.6
167.07050	36.0
168.07339	1.8
168.09370	1.1
169.10164	4.1
170.08617	3.6
175.11270	2.5
175.14839	27.0
179.07025	3.3
179.09183	1.3
181.06599	0.8
181.08592	1.4
181.10149	1.0
183.11723	1.0
189.68297	0.8
193.08661	1.3
193.12215	5.5
193.15884	22.4
196.08925	1.0
196.12474	2.8
211.07736	1.2
211.09636	2.2
211.11189	2.7
211.13243	3.9
211.14864	6.3
211.16968	6.8
212.15242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70597	1.4
53.03941	2.4
55.01863	2.1
55.05508	18.2
57.03443	8.0
57.07062	4.7
58.54379	1.5
59.05003	3.7
67.05176	2.3
67.05511	31.4
69.03426	11.3
69.07070	21.3
69.57971	11.7
71.04977	5.8
71.08603	1.8
79.05498	10.5
79.12563	1.4
81.03411	4.4
81.07063	35.4
82.41177	1.3
83.04984	15.0
83.08622	11.6
85.06546	4.5
91.05480	11.6
93.07041	22.7
95.04981	9.4
95.08613	47.7
96.05290	1.3
97.02870	5.6
97.06522	5.9
97.10156	3.2
99.04447	2.0
99.08096	99.3
101.85780	1.2
105.07040	21.8
107.04963	2.2
107.08598	33.4
109.02892	2.4
109.06519	16.2
109.10162	100.0
111.04465	4.8
111.08054	7.3
113.09656	4.0
119.04945	3.5
119.08589	36.9
121.06500	5.7
121.10148	21.0
123.04445	5.0
123.08063	15.9
123.11710	9.7
125.05976	2.3
125.09657	3.8
131.08594	2.8
133.06514	1.7
133.10132	28.1
135.11697	59.4
137.06000	7.2
137.09619	20.0
139.07474	2.5
139.11183	1.7
147.08078	1.6
147.11688	12.6
149.05962	3.3
149.09602	4.1
149.13301	7.2
151.03926	1.4
151.07567	3.8
151.11179	14.8
151.14821	12.9
153.12724	3.8
154.53134	1.6
155.08574	2.4
165.09109	2.0
165.12756	3.3
165.16371	2.1
167.07050	22.5
167.10788	1.6
169.10100	1.8
175.01468	1.9
175.11180	5.9
175.14822	29.5
179.07069	7.1
181.08601	4.3
193.08656	2.0
193.12259	9.2
193.15875	22.6
211.05914	2.0
211.07610	3.5
211.09558	3.0
211.13283	5.2
211.14893	3.9
211.16965	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03944	2.3
54.10271	2.1
55.01864	6.6
55.05516	39.5
56.96559	3.0
57.03421	7.7
57.07062	8.7
59.05002	2.7
65.03929	2.8
67.05505	39.6
69.03440	12.8
69.07069	25.3
70.86869	6.0
71.05003	12.4
77.03894	1.9
79.05493	22.9
81.03416	4.7
81.07059	73.5
83.04984	20.4
83.08621	26.7
85.02918	2.4
85.06558	12.3
91.05485	22.1
93.07053	55.7
95.04475	2.1
95.04977	16.7
95.08611	89.6
95.23215	2.1
97.06543	29.0
97.10167	4.9
99.04455	6.0
99.08099	49.0
101.06017	2.6
103.05451	6.2
105.07037	43.9
107.07867	3.2
107.08600	62.8
109.06498	12.5
109.10164	79.0
111.08105	19.0
113.06013	2.2
113.09768	1.8
119.04924	4.0
119.08585	74.2
121.06486	6.4
121.10156	29.4
123.04434	40.9
123.08064	19.5
123.11702	31.8
125.09626	9.4
133.06479	3.8
133.10149	52.8
135.11696	85.2
137.05969	6.9
137.09619	20.4
139.11131	3.7
141.09039	2.6
147.04404	3.6
147.11688	14.7
149.06004	10.6
149.13264	28.4
151.03877	3.1
151.07568	23.2
151.11139	12.2
151.14818	24.8
153.12793	10.6
155.10670	2.2
163.14796	2.7
165.12729	3.5
165.16405	7.9
167.07066	46.4
175.11151	2.9
175.14833	100.0
179.07057	98.2
180.07375	3.2
181.08601	7.4
181.15750	3.0
193.08585	8.4
193.12219	4.8
193.15895	69.2
205.47177	1.9
209.71719	2.3
211.09605	18.6
211.11391	2.3
211.13214	4.8
211.15129	2.9
211.16930	81.4
219.02097	2.2
227.37366	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05515	13.0
57.03421	2.4
57.07071	3.6
59.05002	1.4
67.05510	29.0
69.03434	12.0
69.07073	14.2
70.80745	3.6
71.04990	5.3
71.08645	1.3
79.05498	5.4
81.07059	26.1
83.04983	10.9
83.08620	10.3
85.06542	4.0
88.43258	1.2
90.87679	1.1
91.05474	4.6
93.07061	12.5
95.04962	3.5
95.08614	36.4
97.06532	1.8
97.10181	1.9
99.04494	1.2
99.08082	4.7
105.07030	8.3
107.08604	23.5
109.06537	9.7
109.10162	100.0
109.38038	1.1
111.08097	4.6
113.09615	1.7
116.49574	1.1
119.08594	26.8
121.10158	10.7
123.04456	1.3
123.08070	14.5
123.11713	10.7
125.09599	2.4
127.11244	1.4
133.10139	19.7
135.11702	67.1
137.06001	2.0
137.08658	1.9
137.09633	20.3
139.11166	3.1
147.11708	2.3
149.06015	1.4
149.13303	5.5
149.46599	1.1
151.11188	10.8
151.14845	12.6
153.12770	3.0
165.16385	3.4
167.07074	13.8
169.10036	1.3
175.14861	25.2
179.07011	2.6
181.08551	1.5
186.32726	1.1
188.36855	1.3
193.15907	21.4
211.15054	1.7
211.16949	5.9
225.64308	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
55.01864	2.9
55.05262	1.1
55.05513	18.2
56.05835	1.1
56.96551	2.8
57.03428	3.2
57.07080	7.4
59.04998	1.7
63.95641	0.8
64.11433	0.7
65.03945	2.1
65.59050	0.7
67.05508	29.3
69.03430	4.5
69.07074	19.9
70.41909	0.7
71.04997	12.1
71.08643	1.3
71.60106	1.3
71.60513	1.2
73.06559	0.9
78.04749	1.1
79.05499	11.4
81.03409	3.7
81.07061	28.4
82.07346	0.8
83.04984	13.9
83.08614	6.4
84.05299	2.3
85.02897	2.3
85.06546	16.9
85.55652	0.8
87.04469	1.1
91.05487	25.1
93.07048	30.9
95.04973	68.8
95.08612	33.3
96.05305	2.1
96.08955	1.2
97.02819	0.8
97.06538	6.5
97.10165	2.0
98.06881	1.4
99.04475	6.6
99.08099	51.9
101.06010	2.9
103.05469	2.0
105.07036	27.6
106.07357	1.1
107.04943	3.7
107.08596	24.9
108.08929	1.2
109.06521	21.6
109.10163	39.8
110.06832	4.4
110.10477	2.0
111.04431	1.6
111.07143	2.3
111.08070	5.6
113.05985	3.4
113.09677	2.2
115.05468	1.3
119.04931	1.6
119.08592	30.6
121.06500	5.0
121.10135	8.4
123.04421	4.5
123.08076	5.4
123.11710	8.1
124.05132	1.1
125.05983	1.9
125.09647	4.3
127.07558	3.3
129.07011	1.8
131.08574	5.6
133.06488	2.7
133.10138	100.0
134.10460	2.8
134.46382	0.8
135.08043	1.7
135.10698	1.3
135.11700	20.6
137.05995	11.7
137.09624	46.5
141.05424	0.8
145.10220	1.4
147.04393	1.4
147.07964	1.3
147.11696	17.2
149.05989	5.8
149.09634	3.3
149.13245	4.3
151.03955	2.2
151.07591	4.5
151.11191	39.8
151.14804	1.8
152.11617	1.6
153.05316	0.8
153.11726	1.0
153.12827	1.1
155.07066	11.5
155.08505	1.6
155.10674	15.2
157.10135	2.6
161.06015	1.3
165.05496	2.5
165.07013	2.1
165.09065	0.9
165.12782	5.5
165.16449	1.2
166.06244	1.5
167.07057	24.7
168.07393	2.4
168.10176	1.2
168.14584	1.1
169.08624	1.0
169.14928	1.1
175.11241	7.7
175.13509	1.6
175.14853	23.6
177.00639	0.8
179.07043	1.9
181.08589	6.1
181.12154	0.9
183.08078	2.0
193.05011	2.0
193.06636	1.1
193.08588	2.2
193.12263	18.8
193.15956	26.4
197.06113	0.8
201.77257	0.9
211.05981	3.8
211.07552	3.0
211.09622	3.3
211.11426	1.6
211.13300	18.1
211.17001	20.7
212.08319	4.0
215.53197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03941	4.4
55.01863	5.4
55.05509	42.5
55.74391	1.3
56.96547	4.4
57.03436	11.4
57.07076	2.3
59.04995	2.7
61.00456	1.2
65.03919	2.1
67.05504	30.2
67.93880	1.4
69.03440	8.5
69.07065	14.7
70.15089	5.1
71.04974	5.1
72.49210	1.3
79.05489	32.6
79.86857	1.2
81.03416	100.0
81.06591	1.7
81.07059	40.8
83.04980	47.6
83.08617	34.3
85.02885	1.6
85.06541	3.7
91.04968	2.2
91.05482	30.9
93.07042	18.9
95.04971	34.9
95.08607	17.5
97.02879	3.5
97.06522	5.5
97.10176	8.4
98.97547	1.5
99.08090	7.5
105.07020	26.4
107.04964	7.4
107.08586	11.7
109.06504	8.8
109.10143	12.5
111.04436	3.1
111.08084	18.8
113.06034	1.3
116.00195	1.5
119.04923	1.7
119.08585	24.6
121.06484	3.3
121.10139	10.5
123.04409	3.9
123.08067	6.5
123.11729	3.2
123.69295	1.2
125.09609	4.3
129.07005	12.3
131.08578	14.0
133.06473	4.7
133.10132	16.3
135.11668	4.8
137.06000	5.1
137.09621	7.2
142.07776	3.0
145.10159	1.9
147.08078	3.0
147.11681	16.9
149.05989	2.3
149.09610	7.8
151.03880	1.4
151.07574	2.0
151.11198	2.1
153.05382	1.3
155.08501	3.7
157.10126	17.6
165.12747	4.2
167.07066	13.0
169.10117	5.2
175.11192	19.1
175.14845	4.2
179.06984	3.1
181.08636	2.8
183.11705	1.7
193.12241	46.1
193.15892	3.6
196.12439	1.9
211.07637	2.9
211.09389	3.0
211.11192	3.7
211.13271	26.9
211.14919	6.8
211.16808	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36227	1.3
55.05512	16.8
57.03438	5.0
57.07070	4.8
57.19547	1.2
59.05005	3.6
63.00625	1.1
63.15165	1.7
67.05510	36.9
69.03433	9.5
69.07075	18.4
69.07420	2.6
69.36266	13.8
71.04987	4.9
79.05492	5.7
81.03422	3.1
81.07063	34.6
83.04979	15.1
83.08618	12.4
85.06554	6.6
91.05499	8.1
93.07055	14.0
95.04973	5.2
95.08611	60.9
97.06513	2.4
97.10183	4.1
98.06139	1.3
99.08092	9.9
103.05444	2.0
105.07031	11.8
107.08602	22.4
109.06544	12.9
109.10162	100.0
111.04446	1.5
111.08094	5.3
113.09644	1.5
113.76122	1.4
115.07581	1.8
119.08591	25.0
121.06542	1.7
121.10136	12.7
121.10799	1.2
123.04458	5.8
123.08080	12.2
123.11710	11.9
124.15350	1.2
125.09693	2.4
133.06589	1.3
133.10144	21.0
135.11699	63.3
137.06000	9.1
137.09633	16.8
138.10381	1.4
139.11208	4.0
147.04466	1.5
147.11726	4.0
149.06030	1.8
149.13261	5.3
151.07588	1.7
151.11214	12.7
151.14789	8.4
153.12782	2.9
163.14818	3.6
165.16409	2.5
167.07050	16.6
167.10648	1.5
169.10077	2.8
175.11198	2.2
175.14835	27.9
179.07047	9.6
181.08626	2.1
181.15880	1.8
185.68982	1.4
193.08644	1.6
193.12230	4.2
193.15894	25.7
211.05899	2.3
211.07748	1.9
211.09677	2.8
211.14880	3.6
211.16887	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03940	1.2
55.01864	2.2
55.05512	10.2
56.48638	0.7
56.96558	1.8
57.03429	2.6
57.07069	1.0
58.96822	0.6
59.04972	0.9
61.83813	0.7
62.02626	0.7
65.03926	0.7
67.05502	11.0
69.03434	7.5
69.07072	6.7
71.04992	2.8
71.61468	1.0
76.35139	0.9
79.05497	10.6
81.03422	7.2
81.07064	11.6
83.04986	12.7
83.08620	3.7
85.02917	3.6
85.06562	1.2
89.00684	0.7
91.05486	13.8
93.07050	14.4
95.04982	8.5
95.08610	8.5
97.02896	8.4
97.06514	3.5
97.10167	1.6
99.04449	3.0
99.08095	100.0
101.02356	0.9
103.05430	0.9
105.03429	1.0
105.07033	14.9
107.04967	2.7
107.08605	11.6
108.16885	0.7
109.06524	6.0
109.10149	8.6
111.04460	5.7
111.08096	2.0
113.05994	1.4
113.53442	0.7
117.07015	1.1
119.04964	3.8
119.07787	1.0
119.08590	12.3
121.06527	5.8
121.10146	9.6
123.04418	5.6
123.08086	3.3
123.11702	3.9
124.05239	1.0
125.05978	2.1
125.09617	1.7
127.03896	1.7
127.07578	0.8
129.06987	2.2
131.08566	2.7
133.06503	2.7
133.10136	11.3
135.04398	1.0
135.08113	1.0
135.11696	2.5
137.05983	18.5
137.09612	2.6
137.13232	1.1
139.07582	2.7
142.07761	0.8
147.04417	1.8
147.08072	1.8
147.11699	10.3
149.05988	1.7
149.09633	2.1
151.03947	0.9
151.07516	5.3
151.11160	3.7
153.01862	1.3
153.07024	0.7
155.08560	4.3
157.10091	4.1
161.09592	1.0
163.03822	0.8
165.05533	1.9
165.09158	2.2
165.12735	2.4
167.07063	20.1
167.08452	1.3
168.07455	0.7
168.09288	0.9
169.10078	4.1
174.68781	0.8
175.11226	4.4
175.14851	1.0
179.05951	0.8
179.07089	10.0
181.08607	1.8
181.10115	1.8
182.10951	1.0
183.11729	1.7
193.05049	1.5
193.12276	10.1
193.15886	1.2
196.08905	0.8
196.12529	3.1
211.05841	1.1
211.07544	2.0
211.09628	5.0
211.11301	2.8
211.13263	6.0
211.15054	7.1
211.16820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03947	0.5
53.70731	0.4
55.01883	1.1
55.05520	4.6
57.03428	0.9
57.07063	0.7
62.24464	0.5
65.03927	1.2
67.05510	5.2
69.03432	3.6
69.07069	3.9
71.04983	0.9
71.61565	0.8
79.05493	4.6
81.03421	1.7
81.07054	5.8
83.04982	3.1
83.08609	1.2
85.02914	1.2
85.06542	1.1
91.05482	6.5
91.97562	0.6
93.03423	0.6
93.07047	7.6
95.04993	3.6
95.08617	4.5
97.02903	7.5
97.06535	1.7
99.08097	100.0
100.08450	0.8
105.07035	10.1
107.04954	1.4
107.08597	7.5
109.06531	2.1
109.10182	2.9
111.04455	5.2
111.08080	0.8
119.04961	2.4
119.08588	8.0
121.06525	3.0
121.10149	6.1
122.03624	0.6
123.04427	2.8
123.08079	2.0
123.11720	1.5
125.06022	1.3
125.09677	0.7
127.03918	0.5
130.32756	0.4
131.08559	1.0
133.06517	1.8
133.10106	5.2
135.08035	0.6
135.11679	1.4
137.05980	12.4
137.09644	0.8
139.07539	1.9
145.10071	0.8
147.04507	1.1
147.08055	1.3
147.11679	7.5
149.06021	0.8
149.09642	1.7
151.07561	3.0
151.11200	1.3
155.08594	1.7
163.11284	0.7
165.09174	1.5
165.12793	1.8
167.07080	4.0
167.10776	0.7
169.10139	1.1
175.11165	2.8
175.14809	0.8
179.07062	4.9
181.12277	0.6
183.11681	0.7
193.08594	0.5
193.12270	5.7
196.12567	0.9
196.44992	0.5
211.05841	0.6
211.07713	0.9
211.09518	3.5
211.11276	1.1
211.12962	3.1
211.15103	2.3
211.16692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.91164	0.4
53.03933	0.9
53.17010	0.5
55.01865	1.4
55.05514	3.9
57.03437	0.8
57.07065	1.5
67.05506	7.0
69.03432	2.2
69.07068	4.6
69.70201	1.7
69.70607	1.5
71.04990	1.7
73.65609	0.5
78.04688	0.5
79.05494	4.8
81.03412	1.4
81.07059	9.1
83.04988	2.9
83.08610	2.8
85.06541	0.8
91.05489	9.2
93.07049	9.8
95.04988	2.6
95.08615	9.4
97.02913	3.5
97.06522	2.5
97.10180	0.9
99.04456	0.8
99.08098	100.0
100.08466	0.5
103.05439	0.8
105.03362	0.6
105.07038	11.6
107.04946	1.1
107.08601	10.6
109.06520	3.1
109.10157	6.0
111.04465	4.2
111.08104	1.9
113.09629	0.9
117.07105	0.7
119.04951	1.5
119.08589	17.4
121.06483	2.5
121.10152	6.8
122.03638	0.6
123.04431	2.1
123.08081	3.4
123.11701	1.8
125.06015	1.0
125.09622	2.3
129.07007	0.7
131.08572	1.1
133.06497	1.6
133.10132	12.2
135.11679	6.4
137.05977	4.4
137.09581	2.7
139.07561	2.7
139.11249	0.9
147.08076	1.3
147.11697	10.2
149.05997	1.0
149.09628	2.1
149.13255	1.0
151.03865	0.6
151.07582	2.7
151.11217	2.4
155.08543	1.0
157.10100	0.8
163.11247	0.9
163.14841	1.2
165.05547	1.3
165.09116	1.1
165.12782	3.5
167.07051	8.2
167.08432	0.8
169.10126	0.6
170.19774	0.6
175.11217	3.6
175.14850	5.8
179.07074	2.6
181.10194	0.7
193.08684	0.9
193.12257	6.7
193.15903	2.7
197.75865	0.5
211.07642	1.4
211.09674	1.3
211.11275	1.2
211.13023	3.2
211.14948	1.8
211.16676	2.8
211.94220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03942	0.8
54.70480	0.5
55.01859	1.4
55.05505	6.6
56.96558	1.1
57.03429	1.4
57.07069	1.5
58.86333	0.6
65.03931	0.6
67.05504	8.0
68.45527	0.5
69.03427	2.4
69.07061	6.3
70.77477	1.9
71.04979	2.7
71.08628	0.6
71.33392	0.5
73.42067	0.6
79.05479	8.2
81.03410	6.4
81.07052	8.9
83.04967	5.2
83.08625	3.7
85.06544	1.5
91.05476	8.0
93.07041	11.4
95.04974	5.0
95.08611	6.9
95.18595	0.5
97.02882	3.6
97.06518	2.6
97.10167	0.6
99.08086	100.0
100.12733	0.6
101.46454	0.7
105.07024	10.7
107.04947	1.6
107.08582	11.2
109.06516	2.5
109.10135	5.3
111.04433	6.0
111.08101	2.5
113.09632	0.8
117.07036	0.5
119.04934	1.6
119.08575	10.9
121.06515	3.0
121.10145	8.2
121.10944	1.0
123.04446	2.4
123.08071	2.2
123.11713	1.2
124.20827	0.6
125.09621	2.1
127.03938	1.0
129.07013	1.7
131.08553	1.6
133.06494	2.0
133.10133	10.1
135.11678	3.0
137.05988	1.9
137.09596	2.1
139.07536	1.5
142.12347	1.2
145.10106	1.0
147.08069	1.6
147.11687	9.8
149.06039	0.8
149.09674	2.9
149.13269	0.9
151.03882	1.1
151.07518	2.2
151.11174	2.6
152.04704	0.7
153.01819	10.1
155.06985	0.5
155.08440	0.6
157.10100	0.8
165.09132	1.6
165.12724	3.0
167.07045	12.4
174.00725	1.3
175.11166	4.5
175.14783	1.4
179.07048	3.5
181.08597	0.7
181.12248	0.8
188.00548	0.8
193.08528	0.7
193.12239	7.6
193.15895	0.8
211.06003	1.4
211.07770	0.7
211.09569	1.2
211.13196	5.7
211.14900	0.8
233.69446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03947	0.9
54.20914	0.5
55.01863	1.5
55.05517	5.7
57.03427	2.0
57.07072	0.7
65.03921	0.9
67.05501	6.2
68.06272	0.5
69.03419	3.9
69.07072	4.5
71.04989	2.0
71.59705	1.1
79.05495	6.1
81.03429	3.5
81.07066	7.7
83.04995	5.9
83.08622	2.3
85.02899	1.8
85.06539	1.2
91.05489	10.0
93.07051	10.8
95.04967	5.2
95.08614	6.2
97.02906	6.9
97.06541	1.6
97.10189	0.6
99.04452	1.2
99.08100	100.0
100.08440	0.9
101.02361	0.6
103.05492	0.6
105.07043	10.9
107.04964	2.7
107.08601	8.6
109.06529	3.1
109.10153	4.2
111.04442	5.1
111.08099	1.5
113.09619	0.7
115.05498	0.5
119.04956	2.2
119.08590	9.2
121.06544	2.9
121.10158	6.6
123.04510	2.5
123.08086	2.3
123.11718	1.5
125.06033	1.5
125.09672	0.7
127.03928	0.7
129.07028	1.7
130.07744	0.6
131.08597	1.5
133.06535	2.3
133.10129	6.6
135.11714	2.1
137.05991	10.8
137.07042	0.5
137.09634	1.4
139.07539	1.8
142.07744	0.6
145.10136	0.5
147.04436	1.4
147.08072	1.6
147.11697	9.4
149.06007	1.4
149.09663	2.0
149.13231	0.8
151.03979	0.6
151.07553	3.1
151.11224	2.2
153.05461	0.7
155.08575	1.4
157.10167	2.0
163.11205	0.7
165.05573	1.0
165.09146	1.9
165.12813	1.9
167.07065	8.0
167.10738	0.7
169.10115	1.3
175.11214	3.4
175.14856	0.5
179.07076	2.1
180.07838	0.5
180.10210	0.7
181.08658	0.6
183.11916	0.7
190.70882	0.5
193.04977	0.5
193.08626	1.0
193.12256	6.3
193.15862	0.7
196.12479	1.6
209.69830	0.5
211.05925	0.9
211.07645	1.3
211.09686	2.4
211.11328	1.2
211.12987	4.4
211.15045	3.3
214.00714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03939	1.3
55.01873	1.6
55.05513	9.7
56.96564	3.1
57.03434	1.5
57.07068	1.3
63.64272	0.5
65.03929	0.9
67.05508	8.2
69.03448	2.9
69.07077	5.3
70.75287	2.1
71.04989	1.3
71.53213	0.5
79.05505	6.6
81.03424	14.2
81.07061	10.0
83.04982	7.5
83.08625	6.1
85.06564	0.6
91.05486	9.3
93.07046	9.3
95.04966	5.5
95.08617	6.8
97.02901	3.5
97.06547	1.4
97.10169	1.9
97.99185	0.6
99.08099	100.0
103.05496	0.8
105.06376	1.1
105.07034	12.0
107.04974	1.3
107.08601	9.2
109.06513	2.8
109.10142	2.7
111.04449	4.6
111.08086	3.1
113.09646	0.9
115.05466	0.8
117.15096	0.6
119.04929	1.4
119.08583	10.3
121.06496	2.5
121.10162	5.8
123.08102	1.6
123.11672	1.2
125.09620	0.7
129.07008	1.9
131.08575	2.2
133.06476	2.4
133.10133	6.4
135.08041	1.1
135.11723	1.6
137.05942	3.1
137.09618	1.0
139.07544	2.4
147.08113	2.0
147.11705	8.6
149.09634	2.6
149.13269	0.9
151.07512	1.2
151.11186	1.1
155.08580	1.3
157.10112	2.8
165.09122	1.0
165.12778	1.8
165.37439	0.7
167.07091	3.6
169.10162	1.8
175.11165	4.5
175.14883	1.2
179.07127	1.1
183.11751	1.1
193.12245	12.9
196.12442	0.8
211.11360	1.3
211.13309	7.2
211.14926	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03951	0.6
55.01860	1.0
55.05514	4.5
56.35305	0.3
56.96562	0.4
57.03430	1.1
57.07066	1.2
65.03931	1.0
67.05170	0.6
67.05508	6.9
69.03423	2.7
69.07069	4.7
69.07416	0.5
69.47524	0.3
71.05007	1.9
71.37569	0.3
71.59649	0.4
79.05495	5.7
80.31640	0.3
81.03413	2.0
81.07063	7.7
83.04972	2.9
83.08628	2.0
85.02892	0.4
85.06541	0.9
86.59436	0.4
91.05486	8.9
93.03442	0.4
93.07053	10.9
95.04979	4.2
95.08614	6.7
95.09103	0.2
97.02902	4.9
97.06555	2.2
97.10152	0.7
99.04475	1.0
99.08099	100.0
100.08426	1.0
103.05486	1.0
105.07037	12.7
107.04945	1.2
107.08601	11.2
109.06517	3.1
109.10160	2.6
111.04456	5.8
111.08093	2.1
113.09612	0.5
117.07011	0.7
119.04980	1.6
119.06219	0.4
119.08595	10.4
121.06502	3.1
121.10155	9.2
123.04405	1.8
123.08071	2.3
123.11727	2.1
125.05980	1.4
125.08791	0.4
125.09598	1.6
131.08566	1.4
133.06512	2.0
133.10146	8.7
135.04562	0.5
135.08080	0.9
135.11707	1.9
137.05991	7.1
137.09613	1.0
137.13264	0.7
138.06767	0.6
139.07549	2.5
142.07761	0.7
145.10143	0.9
147.08034	2.2
147.11684	9.8
147.12782	0.6
149.06026	0.8
149.09598	1.9
149.13286	0.7
151.03888	0.6
151.07585	2.9
151.11177	3.9
154.07732	0.5
155.07076	0.5
155.08514	1.0
157.10144	0.9
163.11215	0.9
165.05446	0.3
165.09149	1.8
165.11575	0.4
165.12791	3.3
167.07059	6.3
167.08438	0.6
167.10765	0.6
168.09230	0.3
169.08783	0.4
169.10112	1.9
175.11179	3.5
175.14799	0.7
179.07069	1.4
181.08632	0.8
181.10139	1.0
181.12234	0.6
183.11700	0.7
193.12268	7.4
196.12518	0.9
211.05888	0.5
211.07587	1.2
211.09683	1.4
211.11342	0.6
211.13307	5.2
211.14928	2.7
211.16861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03944	0.6
55.01865	1.1
55.05513	3.9
56.06035	0.3
56.96558	1.0
57.03428	1.4
57.07071	0.5
64.00941	0.3
65.03936	0.4
66.55921	0.3
67.05507	5.6
69.03423	1.0
69.07073	4.3
71.04995	1.2
71.59564	0.5
78.04691	0.4
79.05058	0.5
79.05497	5.0
81.03421	1.1
81.07060	7.2
83.04986	2.3
83.08627	1.8
85.06548	1.3
90.73300	0.3
91.05488	6.9
93.03410	0.3
93.07049	7.6
95.04969	2.6
95.08617	5.1
97.02899	3.4
97.06537	2.3
97.10159	0.6
99.04447	0.6
99.08096	100.0
100.08456	0.5
103.05480	0.4
105.07037	9.3
107.04961	1.1
107.08596	8.3
109.06516	2.5
109.10162	3.3
111.04443	4.6
111.08115	2.1
111.08763	0.3
113.09653	0.4
117.06997	0.3
119.04974	1.9
119.08585	9.3
120.05722	0.3
121.06517	2.7
121.10143	6.7
123.04428	2.2
123.08085	1.6
123.11732	1.6
124.01594	0.3
125.05998	1.0
125.09666	1.8
129.07004	0.9
131.08572	1.1
133.06479	1.2
133.10123	5.5
135.11708	1.6
137.05988	6.4
137.09599	1.4
137.13255	0.4
138.06822	0.4
139.07573	1.7
145.10136	0.6
147.04349	0.3
147.08037	1.1
147.11694	9.7
148.08929	0.3
149.06007	0.8
149.09587	1.6
149.13289	0.8
151.07564	2.6
151.11142	1.6
152.04758	0.5
152.39755	0.3
153.12700	0.4
155.07137	0.5
155.08548	0.5
157.10155	1.3
165.09151	1.3
165.12784	2.3
167.07056	10.4
167.10649	0.7
168.07475	0.3
169.10095	0.7
175.11227	3.7
175.14789	0.5
179.07069	2.1
181.08614	1.1
181.10043	0.3
181.12369	0.4
193.08739	0.5
193.12260	5.5
193.13925	0.6
193.15955	0.9
194.02026	0.3
205.55560	0.3
211.07530	1.1
211.09621	1.2
211.11279	0.5
211.13278	3.5
211.14964	1.6
211.16861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03935	2.6
55.01876	6.4
55.05265	1.1
55.05510	16.4
56.96572	6.0
57.03429	4.9
57.07055	3.8
58.06589	1.1
59.04983	0.9
60.28260	0.8
65.03926	1.6
67.05502	28.0
69.03421	6.3
69.07066	28.0
70.06570	1.1
71.04987	14.5
71.08601	1.1
71.58226	0.9
71.58695	1.3
72.08142	1.2
79.05489	19.7
81.03049	0.9
81.03421	9.5
81.07053	33.2
83.04974	13.4
83.08134	1.4
83.08611	13.7
84.04444	1.9
84.95987	1.0
85.02896	1.7
85.06543	9.2
87.04466	1.0
91.05478	38.6
92.05785	2.5
93.06480	1.8
93.07040	27.8
95.04968	27.7
95.08602	19.7
97.02877	1.7
97.06511	8.4
97.10149	1.0
98.97530	1.1
99.04456	4.6
99.07529	1.0
99.08092	8.9
102.31075	0.8
103.05431	1.7
105.03345	1.0
105.07030	36.6
107.04965	4.5
107.08591	15.5
109.02851	1.2
109.05789	1.4
109.06512	25.7
109.07634	1.1
109.10152	24.0
110.06851	1.0
111.04416	3.8
111.05509	1.5
111.07415	1.1
111.08073	8.3
113.06005	5.8
115.05436	2.1
116.00204	1.6
116.89507	0.8
117.06998	1.4
119.04881	1.4
119.08573	19.3
121.02892	1.2
121.06491	6.6
121.10161	5.6
122.10467	0.9
123.04427	7.3
123.08053	6.5
123.11689	5.2
124.05144	1.4
125.05963	3.3
125.09583	3.6
127.03926	1.1
127.07521	3.7
129.06963	3.8
131.08566	10.5
133.06516	5.0
133.10124	100.0
134.10445	1.5
134.99625	1.3
135.08044	2.1
135.11688	7.3
137.05031	0.9
137.05994	10.5
137.09639	9.4
140.10681	1.4
141.05461	1.8
141.06960	1.0
142.07756	1.4
143.07063	1.0
145.10062	1.3
146.99606	1.4
147.04382	1.7
147.07997	1.9
147.11682	26.7
149.02362	1.2
149.05980	6.5
149.08562	0.9
149.09579	5.6
149.13185	1.6
151.03867	2.4
151.07550	5.6
151.11177	57.4
151.40216	0.9
152.04764	0.9
152.08208	1.5
152.11575	1.2
153.08984	1.0
155.07037	16.8
155.08319	1.4
155.10692	2.5
157.10155	6.7
158.99533	1.0
165.05441	3.6
165.09088	2.1
165.12711	9.9
166.06198	1.3
167.07047	36.0
167.10625	1.0
168.07437	0.8
168.10216	1.9
169.08612	1.5
169.12256	1.2
175.11159	15.4
175.14857	7.4
179.07037	1.9
181.08585	8.3
183.06438	1.2
183.07994	1.5
183.11650	1.5
187.54541	1.9
193.04863	3.3
193.08566	1.2
193.12250	35.9
193.15952	4.0
211.05954	6.6
211.07649	2.5
211.09549	2.1
211.11389	2.3
211.13232	32.7
211.16634	4.7
219.01649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03937	1.0
55.01884	0.6
55.05510	3.6
56.96569	8.3
57.07078	0.8
58.68294	0.6
65.03944	0.4
65.25415	0.4
65.82909	0.5
67.05507	4.0
69.03442	1.2
69.07065	4.1
69.47285	3.6
69.47706	1.1
71.04977	0.8
79.05492	3.7
81.03440	1.4
81.07055	5.7
83.04987	2.0
83.08607	1.6
84.96024	1.1
85.06544	0.6
91.05484	4.4
93.07042	8.2
95.04980	3.3
95.08600	5.1
97.02876	2.5
97.06515	0.8
97.99192	1.7
99.08094	100.0
104.12356	0.4
105.03395	11.8
105.06384	0.7
105.07037	9.1
105.07682	0.8
107.04952	0.7
107.08593	7.8
109.06535	1.7
109.10162	2.8
111.04442	4.7
111.08074	1.5
113.09684	0.8
116.00225	1.6
119.04966	1.5
119.08575	6.7
121.06506	2.1
121.10143	6.5
121.90457	0.5
123.04417	0.9
123.08079	1.3
123.11749	0.9
125.05984	0.8
125.09666	0.6
127.07664	0.5
129.07025	0.6
131.08568	1.0
133.06485	1.6
133.10141	5.0
135.11725	1.5
136.70499	0.5
137.05998	3.3
137.09619	0.6
137.13327	0.6
139.07541	1.7
147.08017	1.3
147.11681	7.8
149.09639	1.3
151.07561	1.5
151.11201	1.8
153.07066	0.5
155.08502	2.8
165.09059	0.7
165.12764	1.7
167.07201	0.6
167.08577	0.9
167.10651	0.7
168.09341	0.9
169.10106	2.5
175.11168	2.4
181.10100	1.3
181.12251	0.6
183.11751	1.1
190.13116	0.5
193.05051	0.8
193.10527	0.9
193.12265	5.8
196.08948	0.5
196.12564	0.8
197.10094	0.5
211.07707	2.5
211.11188	2.7
211.13232	2.6
211.14987	4.3
211.16765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
54.56935	0.4
55.01872	0.8
55.05510	3.3
55.88029	0.3
56.96555	1.3
57.03436	0.7
57.07072	0.8
60.58567	0.3
65.03941	0.4
67.05219	0.4
67.05510	4.1
69.03417	1.1
69.07069	4.2
69.55479	0.4
69.63228	3.1
71.04993	0.8
79.05498	3.8
81.03415	1.1
81.07059	6.7
83.04981	2.6
83.08613	1.4
85.06533	0.7
91.05482	5.5
93.07050	7.9
95.04960	2.3
95.08606	5.0
97.02901	2.9
97.06523	1.8
97.10160	0.5
99.08092	100.0
100.08404	0.7
103.05450	0.6
105.07036	10.2
107.04963	0.8
107.08596	8.3
109.06509	2.4
109.10157	2.6
111.04433	5.2
111.08085	1.3
113.09682	0.6
117.07048	0.4
119.04958	0.8
119.08585	8.2
121.06525	2.1
121.10135	6.5
123.04434	1.2
123.08076	1.8
123.11704	1.5
125.06015	1.0
125.09615	0.5
131.08551	0.9
133.06488	1.6
133.10132	5.5
134.37219	0.4
135.08063	0.7
135.11703	1.7
137.05962	2.0
137.09639	0.8
137.13248	0.6
138.06821	0.4
139.07529	2.1
145.10153	0.7
147.08054	1.7
147.11691	8.7
149.05992	1.0
149.09630	1.9
149.13278	1.1
151.07552	1.6
151.11174	1.7
155.08606	1.3
155.55592	0.4
157.10143	0.8
165.09100	1.0
165.12796	1.6
167.07063	6.4
167.08467	0.7
169.10168	1.6
175.11172	3.0
179.07051	0.5
181.08714	0.5
181.10153	1.2
181.12277	0.4
183.11699	1.0
193.12245	5.1
193.15926	0.4
196.12518	1.1
211.07724	0.9
211.09451	0.5
211.11218	1.0
211.12988	3.2
211.15044	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.04916	1.1
53.03942	3.6
55.01868	6.4
55.05515	32.8
56.96559	4.0
57.03438	14.0
57.07072	1.5
59.05003	1.7
65.03937	1.3
67.05508	28.9
69.03432	10.8
69.07069	14.9
71.04988	7.0
71.08630	1.3
71.59845	1.8
73.06526	1.2
73.22481	1.1
78.04696	2.4
79.05059	2.1
79.05499	32.1
81.03423	71.9
81.07061	37.3
83.04985	41.6
83.08628	27.8
85.02898	1.6
85.06557	3.7
87.45459	1.1
91.05486	37.7
93.07051	29.6
95.04978	31.6
95.08611	21.3
97.02895	6.6
97.06525	8.2
97.10168	7.3
99.04491	1.4
99.08099	100.0
101.02359	1.2
103.05463	3.3
105.03396	1.6
105.07037	32.9
107.04993	5.8
107.08595	20.5
109.06534	10.9
109.10170	12.3
111.04445	7.4
111.08091	15.2
115.05429	2.5
116.00225	1.3
117.07054	1.9
119.04938	5.1
119.08593	28.3
119.09449	1.5
121.06505	10.1
121.10136	15.2
122.03622	2.0
123.04447	6.0
123.08076	6.7
123.11695	3.8
124.05193	1.4
125.06007	2.6
125.09654	6.1
129.07030	10.0
131.08568	10.7
133.06505	4.6
133.10136	20.0
135.11697	4.8
137.05986	44.2
137.09619	5.5
139.07541	2.0
139.11159	1.1
142.07788	3.3
145.10100	2.6
147.04413	3.0
147.08070	3.0
147.10535	1.3
147.11702	22.1
149.05997	8.5
149.09619	9.6
149.13277	1.7
151.03896	2.2
151.07552	8.1
151.11208	4.8
151.14822	1.3
152.74670	1.2
155.08591	3.7
157.10138	15.3
163.11267	1.7
165.05544	2.0
165.09100	2.9
165.12785	8.3
166.06212	2.4
167.07054	41.8
167.10690	2.2
168.07364	1.2
169.10127	5.3
175.11201	21.9
175.14821	1.7
179.07063	8.4
181.08597	10.2
181.10040	2.2
183.11720	1.7
193.12253	47.9
193.15909	1.9
196.12584	1.3
211.07587	3.3
211.09668	9.7
211.11259	2.8
211.13277	25.1
211.14925	9.0
211.16872	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.75000	0.4
52.59057	0.6
55.01868	1.1
55.05517	3.7
56.96566	7.6
57.03442	0.7
57.07067	1.0
61.51023	0.4
65.03936	0.6
67.05507	4.6
69.03423	1.4
69.07071	3.5
69.68148	2.6
69.68570	0.8
71.04999	1.2
73.55195	0.5
74.67372	0.4
77.54145	0.4
79.05494	3.6
81.03426	1.3
81.07056	5.2
83.04973	1.8
83.08609	1.2
84.96044	1.4
85.06546	0.9
88.73575	0.4
91.05477	5.0
93.07046	7.5
95.04966	2.8
95.08617	4.1
97.02921	4.3
97.06537	1.7
97.10168	0.5
97.99188	1.9
98.21495	0.5
99.04429	0.7
99.08097	100.0
105.07031	9.3
107.04971	0.6
107.08604	7.9
109.06532	1.7
109.10151	3.0
111.04461	4.6
111.08112	0.8
113.09645	0.4
116.00235	1.8
117.07021	0.8
119.05008	0.7
119.08575	6.0
121.06516	2.1
121.10151	5.9
123.04462	0.8
123.08086	1.8
123.11703	1.2
125.06007	0.8
127.07513	0.5
129.07057	0.5
131.08580	0.7
133.06516	1.5
133.10146	5.5
135.11687	1.6
137.05992	3.7
137.09587	2.3
139.07521	1.3
141.45146	0.4
145.10208	0.6
147.08063	1.4
147.11694	7.6
149.09636	1.5
149.13240	0.8
151.07576	1.7
151.11188	1.8
155.08598	1.1
157.10155	0.8
158.97704	0.5
160.08797	0.5
165.09119	1.7
165.12798	1.7
166.36813	0.4
167.07063	1.1
167.08472	0.8
169.10179	1.3
175.11177	2.3
175.14830	0.5
179.07063	0.5
179.10616	1.1
181.10068	0.7
182.11401	0.7
183.11693	0.5
184.19922	0.4
185.11797	0.4
193.12196	4.7
193.15947	0.6
196.12547	0.8
207.72359	0.5
211.07634	0.7
211.11292	0.9
211.13286	3.4
211.14952	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01861	1.0
55.05518	5.9
56.96564	0.6
57.03421	1.2
57.07074	1.4
61.72212	0.6
65.03920	1.1
67.05502	6.7
69.03424	2.5
69.07076	5.3
71.01004	1.3
71.01346	0.7
71.04985	1.6
79.05498	5.0
79.88268	0.6
80.58450	0.5
81.03398	2.2
81.07063	7.6
83.04980	3.0
83.08623	2.9
85.06540	0.8
91.05480	7.2
93.07043	10.4
95.04969	4.1
95.08608	7.9
97.02893	3.1
97.06534	2.1
97.10170	0.7
98.34168	0.6
99.04473	1.2
99.08093	100.0
103.05505	0.9
105.07035	10.5
107.04957	1.2
107.08595	9.6
109.06509	2.7
109.10169	6.0
111.04449	5.6
111.08092	2.2
113.09628	0.7
119.04917	1.4
119.08588	12.9
119.46215	0.6
121.06509	2.7
121.10149	7.9
123.04430	2.7
123.08042	2.6
123.11709	1.8
125.09643	2.2
133.06514	1.8
133.10138	6.4
135.08028	1.1
135.11729	3.5
137.05975	4.9
137.09628	2.2
139.07555	2.0
145.10164	1.1
147.08047	1.6
147.11688	10.1
149.05995	1.4
149.09624	2.4
149.13277	1.2
151.03899	1.0
151.07565	2.4
151.11183	2.0
155.08559	1.2
157.10110	1.0
165.05476	0.7
165.09155	1.3
165.12794	2.7
167.07076	6.3
169.10153	1.8
175.11191	3.1
175.14885	1.6
179.07076	4.6
181.08588	1.6
181.10049	0.8
183.06548	0.7
186.41678	0.6
188.38162	0.7
193.08583	1.5
193.12267	6.1
193.15883	1.3
211.07632	1.7
211.11255	1.4
211.13309	3.4
211.14882	2.5
211.16891	1.0
211.63647	0.6
211.94038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01868	0.8
55.05508	5.6
56.96292	1.0
56.96564	17.4
57.03435	1.3
57.07065	1.3
65.03938	1.0
67.05502	6.5
67.10748	0.6
69.03424	2.2
69.07066	5.6
69.92786	4.0
71.04985	1.4
73.38132	0.6
74.97607	0.7
79.05491	4.8
81.03410	2.2
81.07057	8.8
82.73193	0.6
83.04980	3.1
83.08614	2.8
84.96031	3.2
85.02908	0.7
85.06544	1.1
91.05478	6.9
93.07052	9.7
95.04973	4.0
95.08613	8.2
97.02885	3.2
97.06538	1.8
97.99200	2.0
99.04458	1.0
99.08094	100.0
102.97063	0.8
105.07029	11.8
107.04941	0.9
107.08595	9.1
109.06514	2.2
109.10168	5.9
111.04454	5.7
111.08087	1.6
113.09651	0.9
116.00224	4.8
119.04919	1.2
119.08575	9.7
121.06507	2.5
121.10157	7.2
123.04507	1.0
123.08105	1.5
123.11716	2.2
125.05988	1.3
125.09589	0.7
129.06979	0.7
133.06519	1.5
133.10138	6.4
135.08058	1.1
135.11705	2.7
137.05998	3.2
137.09639	1.1
138.06778	0.9
139.01779	1.8
139.07552	2.0
141.07005	1.4
142.07794	1.1
143.99762	0.9
145.10158	0.7
147.08032	1.7
147.11682	9.0
149.09627	2.6
151.07545	2.4
151.11192	2.2
153.07048	1.2
155.08548	2.7
156.09300	0.7
157.10110	1.1
161.13278	0.7
165.09126	1.2
165.12805	2.6
167.06996	2.0
167.08527	1.0
168.09465	1.0
169.10132	4.9
170.10960	0.8
175.11195	3.0
175.14795	1.0
179.07027	1.0
179.14482	0.8
181.10100	5.1
183.11736	1.9
187.02922	0.8
188.09706	1.2
193.05070	0.7
193.10489	1.3
193.12183	6.3
193.15825	1.0
196.12491	8.5
199.60385	0.7
211.11205	4.1
211.13219	3.2
211.14919	12.3
211.16806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.69821	0.3
55.01854	0.5
55.05509	2.5
56.96554	1.1
57.07068	0.5
60.62499	0.3
67.05504	3.2
69.03419	0.7
69.07069	2.6
69.41163	3.1
71.05003	0.7
79.05489	2.8
81.03398	0.7
81.07047	3.3
83.04977	1.0
83.08619	0.8
84.96047	0.4
85.06534	0.6
91.05476	4.3
93.03357	0.4
93.07040	5.9
95.04967	1.4
95.08605	3.2
97.02867	2.5
97.06517	1.0
97.10138	0.4
97.99139	0.5
98.21524	0.6
99.08089	100.0
100.08413	0.6
105.07029	7.9
105.07684	0.6
107.04957	0.6
107.08595	5.9
109.06525	0.9
109.10167	1.5
110.26722	0.3
111.04446	4.2
111.08084	0.6
116.00173	0.3
119.04913	0.8
119.08575	5.9
120.59395	0.3
121.06525	1.8
121.10141	5.0
123.08057	0.8
123.11722	0.8
125.06007	0.8
131.08585	0.4
133.06502	1.1
133.10136	4.0
135.11668	0.8
137.05988	0.9
137.09557	0.8
139.07556	2.1
147.08073	0.8
147.11674	5.8
149.09637	1.1
151.07571	1.4
151.11191	1.4
165.09103	0.8
165.12798	1.8
167.07153	0.4
169.10060	0.5
175.11174	2.1
175.14801	0.4
181.10030	0.5
181.12285	0.4
193.04916	0.4
193.12251	4.1
211.11261	0.7
211.13309	2.4
211.14909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03950	3.7
55.01865	3.5
55.05511	24.3
56.96565	82.1
57.03419	5.1
57.07068	7.8
59.04993	13.3
67.05507	23.5
69.03424	24.3
69.07059	17.3
71.04995	6.5
71.10191	3.7
71.10503	4.1
76.44992	2.6
76.71690	2.9
79.05496	16.1
79.69950	2.8
81.03411	11.5
81.07054	45.5
83.04974	12.3
83.08604	19.5
84.52724	2.7
84.96044	9.4
85.06525	6.5
85.16199	2.7
87.34075	2.7
91.05482	23.9
93.07040	40.3
95.04952	14.9
95.08613	51.2
97.02943	3.7
97.06526	13.5
97.49300	2.9
97.99168	14.5
99.04498	5.9
99.08083	40.9
105.07035	50.0
107.08596	98.0
109.02834	4.7
109.06526	17.1
109.10151	32.3
111.04475	5.5
111.08073	5.8
111.11807	2.8
116.00206	19.5
119.08578	39.7
121.06505	7.3
121.10152	33.7
123.04452	6.1
123.08070	15.0
123.11715	36.3
125.06062	2.8
125.09588	5.0
125.55521	3.2
129.07045	3.4
131.08568	4.2
133.06491	6.0
133.10132	22.0
134.01274	6.1
135.08084	6.5
135.11679	15.2
137.05997	13.5
137.09624	7.3
137.13249	5.2
139.01807	4.3
139.07574	3.0
141.06964	4.1
142.07773	4.8
143.99712	3.4
145.10062	3.8
147.08070	4.8
147.11684	86.6
149.06046	3.1
149.09618	8.4
149.13232	4.1
151.07565	6.3
151.11160	13.1
151.14795	5.1
153.06958	2.9
155.08499	13.4
157.10139	11.2
160.08801	7.8
165.09181	3.8
165.12755	56.5
167.07043	18.6
167.08372	6.1
167.58882	5.6
168.09309	8.9
169.10104	23.6
170.11275	4.4
175.11192	62.5
175.14879	9.9
179.07013	4.7
181.10139	9.2
183.11693	11.2
193.04971	5.7
193.10330	4.7
193.12241	66.5
193.15886	5.8
196.12437	15.8
197.10153	8.4
211.07758	3.9
211.09526	6.1
211.11198	13.6
211.13275	100.0
211.14914	44.9
211.17032	4.9
214.69533	3.2
219.17543	2.8
224.92033	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	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.08950	0.4
53.03934	0.7
55.01858	1.5
55.05302	0.4
55.05515	5.5
56.96295	0.5
56.96566	8.7
57.03426	0.9
57.07057	1.3
59.40688	0.5
62.41096	0.5
65.03932	1.2
67.05501	8.3
69.03419	2.3
69.07068	6.8
71.04980	2.2
71.25074	1.0
71.99825	0.5
78.04759	0.5
79.05489	5.7
81.03416	4.2
81.07053	9.1
83.04977	3.9
83.08613	3.7
84.96017	1.2
85.06532	1.5
91.05471	9.0
93.07041	10.4
95.04962	3.6
95.08601	8.4
96.20401	0.5
97.02895	3.8
97.06536	2.2
97.10150	2.2
97.99188	1.7
99.04460	0.7
99.08087	100.0
103.05472	0.7
105.07028	12.9
107.04950	0.8
107.08585	10.9
109.06514	2.8
109.10153	6.3
111.04449	4.9
111.08068	2.1
113.05975	0.7
116.00189	2.6
119.04969	1.2
119.07780	1.1
119.08573	10.9
120.39542	0.5
121.06518	2.9
121.10136	8.5
123.04396	0.8
123.08082	2.5
123.11714	2.2
125.05997	0.9
125.09610	1.2
131.08569	1.7
133.06493	1.6
133.10118	7.7
134.01277	0.9
135.08058	0.9
135.11691	4.1
137.05977	3.1
137.09604	2.0
138.06673	0.7
139.01813	0.8
139.07553	1.8
141.06979	0.8
145.10143	1.2
147.04417	0.6
147.08025	1.4
147.11685	10.0
149.09630	2.4
149.13306	1.3
150.03101	1.4
151.07538	2.4
151.11201	2.4
151.14809	1.0
153.07002	0.6
155.08577	1.9
157.10141	1.4
165.06967	1.1
165.09070	0.9
165.12769	2.3
167.07037	3.0
167.08467	1.0
168.09372	1.2
169.10109	3.7
175.11151	4.3
175.14832	3.1
178.02664	1.5
181.10181	1.0
181.12314	0.7
182.10820	0.9
183.11702	2.2
193.04922	5.5
193.06488	0.6
193.10370	0.9
193.12204	7.6
193.15959	1.4
196.08849	0.7
196.12444	2.4
199.61360	0.7
211.05876	0.8
211.07590	2.2
211.09393	0.8
211.11227	2.6
211.13246	3.5
211.14978	5.6
211.16774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
52.76358	1.4
53.03942	5.0
55.01872	6.2
55.05511	43.1
56.96565	9.3
57.03436	13.5
57.07077	2.8
59.04992	2.9
60.27261	1.2
60.72468	1.4
65.03938	3.5
67.05170	2.9
67.05505	37.0
69.03425	12.5
69.07072	15.6
70.96942	1.7
70.97258	2.4
71.05003	12.2
72.05150	1.4
79.05052	2.8
79.05492	35.0
81.03418	100.0
81.07059	44.1
83.04981	51.6
83.08623	36.8
84.96025	2.0
85.02885	2.8
85.06529	7.8
87.04485	1.8
91.05478	42.9
93.07047	28.9
95.04973	42.6
95.08604	25.1
97.02885	6.0
97.06537	9.1
97.10156	9.9
99.04475	2.3
99.08092	32.1
103.05500	2.2
103.81441	1.6
105.03424	1.7
105.07026	33.0
106.04140	1.8
107.04969	9.7
107.08602	20.2
109.06522	13.8
109.10139	16.4
111.04430	5.9
111.08075	16.3
115.05505	3.0
116.00267	2.7
117.07014	3.6
118.41969	1.4
119.04962	3.0
119.08578	32.4
121.06496	5.7
121.10139	11.5
123.04439	9.4
123.08064	9.3
123.11723	6.1
125.09613	3.9
128.06250	2.0
129.07021	14.8
131.08574	16.3
133.06494	5.6
133.10126	29.2
133.11082	2.6
134.01230	1.7
135.08032	1.6
135.11702	8.7
137.05974	11.1
137.09625	5.8
138.60118	1.3
139.07523	1.7
139.11098	1.7
141.06958	2.6
142.07767	4.5
147.08060	5.0
147.11684	23.3
149.06001	4.5
149.09627	11.3
149.13306	2.2
151.03908	2.6
151.07547	5.7
151.11197	6.8
151.14861	1.6
154.07765	2.8
155.08563	36.0
157.10135	19.0
165.09061	3.2
165.12764	5.0
166.33859	1.6
166.55968	1.4
167.07045	68.5
167.10732	2.0
168.09325	3.2
169.08809	2.2
169.10088	11.9
170.05876	1.5
175.11179	23.8
175.14799	7.2
179.07022	9.0
181.08574	3.5
181.10069	4.1
183.08055	2.3
183.11673	5.3
193.08551	4.5
193.10379	3.3
193.12239	56.8
193.15848	2.3
196.08835	4.4
196.12454	4.8
211.05885	2.8
211.07608	3.8
211.09538	3.9
211.11197	11.4
211.13271	25.3
211.14867	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
55.01863	1.3
55.05503	4.2
56.96569	3.8
57.03436	0.7
57.07067	1.7
59.70503	0.5
67.05499	5.9
69.01051	0.5
69.03421	1.7
69.07079	4.7
71.04984	1.9
71.08654	0.7
71.59506	1.1
73.06520	0.6
79.05496	4.3
81.03419	1.4
81.07055	7.2
83.04986	1.6
83.08610	2.0
84.06504	0.5
85.06534	1.3
91.05482	4.1
93.07043	7.8
95.04977	2.8
95.08611	9.0
97.02895	3.6
97.06506	0.9
99.04450	0.6
99.08092	100.0
105.07027	8.4
107.04941	0.7
107.08593	7.8
109.06530	2.0
109.10171	5.0
111.04417	4.2
111.08106	1.8
112.85973	0.5
116.00216	0.9
119.04916	0.7
119.08583	7.5
121.06513	2.4
121.10135	5.9
123.08092	2.2
123.11721	2.2
125.06033	0.7
129.07027	0.6
131.08627	0.8
131.73253	0.6
133.06467	1.4
133.10147	6.6
135.11678	2.2
137.05986	1.7
137.09592	1.4
139.07547	1.9
143.08531	0.9
147.08044	1.5
147.11679	7.6
149.09608	0.9
151.07550	0.9
151.11183	1.6
153.06917	0.7
154.07669	0.5
155.08543	8.6
157.10135	0.8
165.09100	1.0
165.12756	1.8
167.07065	0.7
167.08586	1.1
168.09335	1.4
169.10110	5.3
175.11226	2.4
175.14835	1.7
181.10167	1.7
182.10825	0.9
183.11725	3.0
193.08580	0.7
193.12216	4.8
193.15843	1.2
196.08908	0.8
196.12444	3.3
197.72246	0.6
211.05943	1.0
211.07739	1.1
211.11191	4.5
211.13248	3.2
211.14963	8.9
211.16827	0.9
211.20522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03941	4.0
54.68171	0.7
55.01878	8.5
55.05511	5.9
56.05854	1.3
56.96557	4.1
57.03435	2.6
57.07078	2.0
61.02931	0.8
65.03944	4.4
66.04707	0.9
67.05508	8.6
67.62809	0.7
69.03421	4.2
69.07072	3.3
69.53919	5.7
69.88593	0.7
71.04996	3.8
72.08151	0.9
77.03934	1.2
78.04712	3.6
79.05495	16.7
79.27047	0.7
80.05857	1.0
81.03421	3.0
81.07063	9.8
83.04987	4.1
83.08624	2.4
84.05314	0.9
85.02898	4.0
85.06538	2.2
91.05486	80.4
92.05800	1.4
93.07051	15.0
94.04207	1.2
94.07410	1.5
95.04975	21.8
95.08621	8.1
97.02901	3.2
97.03908	0.7
97.06535	1.6
97.10133	1.0
97.83874	0.7
98.06048	0.9
98.97615	1.0
99.04463	3.1
99.08101	2.9
103.05473	15.1
104.05785	1.0
105.03393	14.7
105.04530	1.9
105.07039	20.1
106.04204	2.0
107.04966	34.3
107.08588	7.1
108.05741	2.4
109.02895	1.0
109.05785	1.3
109.06531	26.0
109.07647	1.1
109.10149	7.2
111.04440	1.6
111.08080	2.4
111.11657	0.7
113.05959	0.9
113.09725	0.8
115.05456	1.8
116.00099	0.8
116.98603	1.0
117.06915	0.9
118.04176	3.8
119.04951	95.4
119.08583	8.1
120.05238	0.9
121.02887	0.8
121.06515	36.6
121.10144	2.9
122.03656	0.9
122.07239	1.4
122.10507	0.8
123.04449	13.5
123.07203	0.9
123.08082	11.9
123.11727	2.1
124.05243	4.1
125.05989	1.4
125.09637	1.0
127.03902	1.5
128.02220	0.7
128.98630	0.7
129.07005	0.9
131.04948	1.7
131.08566	1.1
133.02818	1.8
133.06517	12.6
133.10118	6.3
133.84767	0.8
134.03647	14.0
134.99667	0.9
135.04427	2.7
135.08075	3.6
135.11662	3.5
136.05167	1.2
137.05998	12.5
137.09616	11.1
139.03931	1.1
139.07552	1.4
140.04497	0.9
145.10167	0.7
146.99599	0.8
147.04425	20.4
147.08044	3.1
147.11687	3.6
149.02354	2.7
149.05989	53.4
149.13274	0.8
150.06337	1.6
151.03920	9.9
151.07552	53.2
151.11171	2.8
152.04675	2.1
152.07993	1.3
152.11499	1.0
153.05467	1.8
153.11752	0.9
154.06250	2.1
155.06654	3.7
155.08484	0.9
156.31715	0.7
161.05984	10.6
165.05527	5.9
165.09088	4.5
165.12788	3.3
166.02626	2.7
166.06293	7.2
167.07051	100.0
168.04340	0.8
168.07394	22.8
169.10139	1.0
169.14920	1.9
175.07555	0.8
175.11221	2.6
175.14822	3.1
179.03378	1.7
179.04698	0.8
179.07059	21.7
180.07692	2.6
181.05005	2.6
181.08611	28.3
182.09004	2.2
183.06551	1.6
183.08124	1.4
183.09735	8.1
183.11482	1.2
183.13699	1.6
193.04967	2.8
193.08578	2.7
193.12292	3.5
193.15903	2.0
196.08763	1.5
205.98776	1.0
211.06122	5.5
211.07825	2.2
211.09645	39.1
211.11275	1.9
211.13179	3.2
211.16319	1.1
212.10114	0.7
224.01089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03950	1.9
53.98190	0.3
55.01862	1.3
55.05511	1.8
56.96554	1.5
57.03425	0.5
65.03937	0.5
67.05492	1.6
67.76378	0.3
69.03417	0.9
69.07055	0.9
69.27117	3.1
69.27534	1.2
69.85751	0.3
71.04990	0.9
78.04698	2.6
79.05499	2.2
79.84887	0.3
81.03410	1.3
81.06717	0.3
81.07064	2.8
83.04974	1.0
83.08606	0.4
85.02881	0.7
86.03612	0.3
91.05480	10.1
93.07047	9.4
94.27351	0.3
95.04974	4.0
95.08610	2.0
95.17297	0.4
97.02881	0.7
97.06516	1.0
97.99158	0.7
99.04484	0.5
99.08091	6.0
103.05471	8.0
105.03415	0.4
105.04507	0.9
105.07029	4.5
106.04150	1.5
107.04929	1.2
107.08577	1.9
109.06486	1.0
109.10149	3.3
111.04442	0.9
115.05446	0.8
119.04929	1.4
119.08582	1.9
120.05736	0.4
121.06500	17.4
121.10119	0.8
122.03681	0.5
123.04433	7.0
123.08061	0.7
123.11708	0.7
124.05225	2.8
125.06033	0.4
131.04907	0.4
131.06064	0.5
133.06517	3.1
133.10110	1.6
134.03604	0.7
135.04446	0.5
135.11707	2.0
137.05981	4.1
137.09636	0.7
141.06923	0.4
147.11711	1.0
149.05981	31.8
149.13300	0.5
150.06427	0.4
151.03914	2.5
151.07520	1.1
151.11206	0.7
151.14755	0.5
152.04665	2.4
152.32013	0.3
155.08574	0.7
161.05991	4.2
165.05499	1.6
166.06256	6.0
167.07040	100.0
168.07365	1.3
169.10175	0.8
175.11200	0.7
175.14809	1.4
179.07018	1.1
180.07799	2.8
181.08597	33.9
182.10954	0.4
193.08607	1.6
193.12253	1.1
193.15840	0.9
211.07581	1.3
211.09581	7.5
211.11469	0.6
211.13084	0.7
211.14969	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03943	1.6
55.01860	2.5
55.05512	5.2
56.96564	9.3
57.03421	3.1
60.33430	0.9
66.26875	1.1
67.05498	7.0
69.03416	3.1
69.07061	3.3
71.04993	2.1
71.30374	2.2
78.04677	2.3
79.05477	5.9
81.03422	5.1
81.07063	10.2
83.04970	3.8
83.08607	4.2
84.96025	1.7
85.02908	19.1
90.84555	0.9
91.05485	18.4
93.07055	14.2
95.04977	7.4
95.08608	7.9
97.02895	2.4
97.06536	2.0
97.99162	2.7
99.04456	1.4
99.08093	9.4
103.05478	6.0
105.07043	13.9
106.04182	2.0
107.04950	2.7
107.08590	7.4
109.06522	6.3
109.10186	9.1
111.04427	1.9
111.08079	2.5
115.05503	1.2
116.00211	2.7
119.04944	6.2
119.08572	6.2
121.06508	17.5
121.10145	2.8
122.03643	3.7
123.04441	10.3
123.08054	2.7
123.11712	2.0
124.05196	2.2
125.05978	1.1
125.09644	2.9
127.03849	1.1
131.08553	1.3
133.06464	5.9
133.10123	4.6
135.08060	1.2
135.11674	3.8
137.05983	87.3
137.09586	2.3
139.07448	1.1
141.06960	1.6
147.04417	7.8
147.08069	1.5
147.11667	3.0
149.05983	26.4
151.03918	3.2
151.07593	5.8
151.11186	1.8
152.04747	1.4
153.05429	2.4
153.06973	1.3
153.09154	1.9
154.06270	1.4
154.07683	1.3
155.08553	7.9
156.09331	1.2
157.10153	2.1
161.05995	5.5
165.05515	2.4
165.06866	1.8
165.09096	1.7
165.12897	1.2
166.06264	6.1
166.07536	1.3
167.07054	100.0
168.05806	1.0
168.07353	1.9
168.09348	2.5
169.08760	2.0
169.10127	14.0
169.12225	8.7
170.05763	2.3
170.10876	1.1
175.07527	2.0
175.11243	2.7
175.14830	1.8
179.07019	9.3
180.07846	2.0
181.08624	33.0
181.10104	6.3
182.10866	1.8
183.08131	1.0
183.11668	5.2
192.35704	1.0
193.04956	1.2
193.08592	2.8
193.12263	6.0
193.15898	1.9
196.08650	2.1
196.12497	11.5
211.07576	2.5
211.09636	20.2
211.11285	4.8
211.13210	9.0
211.14825	26.4
211.16629	0.9
211.16939	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03939	1.9
55.01855	0.8
55.05509	3.0
55.71653	0.4
56.96554	1.6
57.03431	3.4
57.07062	1.0
57.27246	0.5
64.16624	0.5
67.05499	5.7
68.90202	0.5
69.03413	1.5
69.07068	4.3
71.04991	15.5
71.11646	1.1
78.79847	0.4
79.05502	3.0
81.03414	4.4
81.07053	5.8
83.04992	2.1
83.08620	2.7
83.17787	0.5
84.96008	0.4
85.06541	4.3
85.10135	0.5
91.05479	5.3
93.07061	4.2
95.04976	7.0
95.08604	6.2
97.02866	0.9
97.06512	1.2
97.10152	0.9
99.04440	1.3
99.08089	26.1
103.05490	0.8
105.06378	0.6
105.07030	6.8
106.04183	0.5
107.04937	1.5
107.08591	3.5
109.02805	0.5
109.06516	3.6
109.10134	3.3
111.04430	1.6
111.08051	1.6
113.05998	11.0
115.05445	1.3
119.04948	0.5
119.08578	3.8
121.06499	2.0
121.10135	2.0
123.04425	2.1
123.08051	1.8
123.11681	1.5
124.05235	2.4
125.05968	1.8
131.08549	1.0
132.05685	0.6
133.06488	1.9
133.10106	3.1
135.11676	1.8
136.05173	0.6
137.05975	40.1
137.09595	2.0
137.13242	0.8
138.06311	0.5
139.03896	1.0
139.07590	0.7
139.11220	0.5
141.05463	3.9
147.08032	2.4
147.11705	2.5
149.05977	1.3
149.09608	0.9
149.13312	0.6
150.06760	0.7
151.03877	1.4
151.07523	1.4
151.11205	0.8
151.14726	0.7
153.05464	13.9
155.08524	0.8
157.10121	1.1
161.05984	0.6
164.04678	1.3
165.05457	2.1
165.09113	20.1
165.12726	0.6
166.06331	0.5
167.03430	0.9
167.07043	16.3
169.04962	14.9
169.10110	1.1
175.07524	1.2
175.11169	2.1
175.14828	1.2
178.06239	1.1
179.06993	1.5
181.08575	1.1
181.10017	0.6
183.08054	0.6
183.11693	0.5
192.13693	0.4
193.08603	38.4
193.12172	3.8
193.15793	0.8
194.08911	0.5
211.09644	100.0
211.14944	2.2
212.09955	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.4
53.03944	1.9
55.01869	1.6
55.05510	3.7
56.96568	3.0
57.03424	1.0
57.07068	0.9
59.04993	0.5
65.03945	0.8
66.04710	0.4
67.05507	6.3
68.99792	2.8
69.03429	3.9
69.07070	5.5
69.54996	3.0
69.86798	0.3
71.04987	1.2
71.08625	0.7
73.06549	1.0
73.58624	0.4
75.04480	4.2
78.04716	2.8
79.05484	4.5
81.03432	2.6
81.07059	11.0
83.04988	5.3
83.08614	3.3
84.96034	0.4
85.02898	0.9
85.06539	4.6
91.05485	12.9
93.03387	0.6
93.07050	13.0
94.04187	0.3
95.04973	25.5
95.08607	9.7
97.02886	0.6
97.06516	0.5
97.10140	0.9
97.99190	0.7
99.04433	1.6
99.08093	6.4
103.05476	7.9
105.03388	0.5
105.04540	0.7
105.07043	5.1
106.04175	1.5
107.04968	1.3
107.08596	3.5
109.02889	0.4
109.06516	3.5
109.10158	11.9
111.04465	2.1
111.08075	1.2
113.05965	0.6
113.09667	0.4
115.05440	1.0
115.07565	0.5
116.00218	0.6
119.04941	2.4
119.08587	3.7
121.06509	18.2
121.10107	2.0
122.03661	1.4
123.04431	9.4
123.08094	1.0
123.11712	35.9
124.05221	2.2
125.09622	0.7
126.63224	0.4
127.07543	0.7
127.11202	1.2
131.06068	0.8
131.08562	0.4
133.06511	3.0
133.10130	3.4
135.04405	0.5
135.11682	2.8
136.05164	0.3
137.05983	29.0
137.09622	11.3
137.10428	0.2
138.06386	0.4
139.03954	0.4
139.07535	4.8
141.06906	0.5
143.08568	0.4
147.04428	2.8
147.11674	1.4
149.05984	28.4
151.03922	2.9
151.07591	1.9
151.11192	6.1
152.04706	2.3
152.05777	0.4
153.05438	0.7
153.12674	0.5
155.08572	1.4
157.10022	0.5
161.06024	4.2
161.09613	1.5
165.05508	1.1
165.06941	0.4
165.09099	1.0
165.12775	0.5
166.06274	6.4
167.07047	100.0
167.14336	1.4
168.07436	1.5
168.09381	0.4
169.10110	1.6
169.12259	1.3
175.11176	0.4
175.14790	1.0
179.07097	4.4
179.09074	0.7
179.10670	18.4
180.07811	1.9
181.08606	34.6
182.09039	0.5
183.11769	0.4
183.13805	0.6
193.08604	2.0
193.12241	1.7
193.15968	1.9
196.12462	0.9
203.17525	0.3
211.05923	0.5
211.07681	0.9
211.09641	10.6
211.13199	2.1
211.14827	3.2
211.16951	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03931	2.0
55.01853	1.3
55.05505	3.1
56.96559	1.7
57.03445	2.9
66.38589	0.6
67.05511	4.5
69.03439	1.2
69.07050	2.2
69.41346	2.8
69.41766	1.8
71.04597	0.7
71.04994	12.9
79.05493	2.5
81.03416	4.8
81.07057	4.3
83.04963	2.1
83.08609	2.1
85.06557	2.7
85.72945	0.6
91.05484	5.0
93.07040	3.6
95.04964	5.9
95.08611	3.4
97.02920	0.6
97.06512	0.7
98.21478	0.8
99.04459	1.1
99.08096	9.2
105.07044	6.1
107.04928	1.6
107.08627	2.9
109.06526	3.6
109.10168	2.6
111.04416	1.2
111.08073	1.4
113.06008	9.8
115.05449	1.9
117.06975	1.4
119.04944	0.6
119.08575	3.1
121.06497	0.9
121.10122	2.2
123.04436	2.0
123.08045	2.0
123.11674	0.9
124.05215	2.9
125.05978	1.8
131.08568	0.8
133.06485	2.2
133.10133	2.4
135.08049	0.6
135.11664	1.8
136.05228	0.5
137.05980	43.9
137.09575	2.4
139.03844	0.8
141.05464	4.5
141.09077	0.6
147.08029	2.2
147.11678	2.0
149.06000	1.5
149.09598	0.9
150.06729	1.0
151.03894	1.7
151.07526	1.8
151.11191	1.4
153.05473	13.6
153.06747	0.8
155.08562	2.1
157.10085	1.0
161.05956	0.8
164.04660	1.7
165.05457	1.7
165.09116	17.9
165.12767	0.9
167.03416	1.0
167.07048	11.2
167.08455	1.1
168.07312	0.7
168.09331	0.7
169.04976	16.1
169.10094	2.7
175.07562	1.6
175.11131	0.9
175.14861	1.4
178.06238	0.9
179.07027	2.1
181.08580	0.9
181.10130	1.0
182.10893	0.8
183.11708	0.9
193.08612	41.5
193.12112	3.1
193.15855	0.7
194.09077	0.6
196.12474	1.5
211.09647	100.0
211.14876	4.8
212.10020	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01855	0.8
55.05509	3.0
55.71653	0.4
56.96554	1.6
57.03431	3.4
57.07062	1.0
57.27246	0.5
64.16624	0.5
67.05499	5.7
68.90202	0.5
69.03413	1.5
69.07068	4.3
71.04991	15.5
71.11646	1.1
78.79847	0.4
79.05502	3.0
81.03414	4.4
81.07053	5.8
83.04992	2.1
83.08620	2.7
83.17787	0.5
84.96008	0.4
85.06541	4.3
85.10135	0.5
91.05479	5.3
93.07061	4.2
95.04976	7.0
95.08604	6.2
97.02866	0.9
97.06512	1.2
97.10152	0.9
99.04440	1.3
99.08089	26.1
103.05490	0.8
105.06378	0.6
105.07030	6.8
106.04183	0.5
107.04937	1.5
107.08591	3.5
109.02805	0.5
109.06516	3.6
109.10134	3.3
111.04430	1.6
111.08051	1.6
113.05998	11.0
115.05445	1.3
119.04948	0.5
119.08578	3.8
121.06499	2.0
121.10135	2.0
123.04425	2.1
123.08051	1.8
123.11681	1.5
124.05235	2.4
125.05968	1.8
131.08549	1.0
132.05685	0.6
133.06488	1.9
133.10106	3.1
135.11676	1.8
136.05173	0.6
137.05975	40.1
137.09595	2.0
137.13242	0.8
138.06311	0.5
139.03896	1.0
139.07590	0.7
139.11220	0.5
141.05463	3.9
147.08032	2.4
147.11705	2.5
149.05977	1.3
149.09608	0.9
149.13312	0.6
150.06760	0.7
151.03877	1.4
151.07523	1.4
151.11205	0.8
151.14726	0.7
153.05464	13.9
155.08524	0.8
157.10121	1.1
161.05984	0.6
164.04678	1.3
165.05457	2.1
165.09113	20.1
165.12726	0.6
166.06331	0.5
167.03430	0.9
167.07043	16.3
169.04962	14.9
169.10110	1.1
175.07524	1.2
175.11169	2.1
175.14828	1.2
178.06239	1.1
179.06993	1.5
181.08575	1.1
181.10017	0.6
183.08054	0.6
183.11693	0.5
192.13693	0.4
193.08603	38.4
193.12172	3.8
193.15793	0.8
194.08911	0.5
211.09644	100.0
211.14944	2.2
212.09955	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03919	1.1
55.01840	2.1
55.05510	3.9
56.96575	2.4
57.03405	1.7
57.07055	1.0
64.75482	0.4
65.03906	1.4
67.05503	6.7
68.99758	1.4
69.03427	2.5
69.07062	4.1
70.06557	0.5
71.04984	2.6
71.28259	0.7
78.04683	1.0
79.05492	4.7
81.03436	3.6
81.07063	6.2
83.04989	2.6
83.08619	2.2
84.96042	0.5
85.02878	1.2
85.06505	2.0
85.06952	0.5
91.05482	17.7
93.07046	6.8
94.06550	1.0
95.04963	7.4
95.06102	0.4
95.08609	7.2
97.02881	1.0
97.06538	4.3
97.10125	1.2
97.99147	0.6
99.04427	1.2
99.07571	0.6
99.08092	5.6
103.05463	2.8
105.03417	0.5
105.04505	0.6
105.07030	9.8
107.04919	1.8
107.08599	4.8
108.05719	0.8
109.02876	2.3
109.06532	3.3
109.10152	4.9
110.03654	1.5
111.04409	1.3
111.08048	1.8
118.04132	0.7
119.04947	13.6
119.05990	1.3
119.08588	8.8
121.02826	1.1
121.06517	2.8
121.10163	2.9
123.04432	30.5
123.08057	5.4
123.11669	1.9
125.02384	0.5
125.05984	0.5
125.09609	2.5
127.03929	9.3
127.07552	0.6
131.08592	1.1
133.06485	3.6
133.10127	8.0
134.10457	0.6
135.04459	0.6
135.08073	0.8
135.11720	3.5
135.81821	0.5
136.05182	2.2
137.05989	3.6
137.09618	2.3
139.07480	0.8
145.10124	0.6
147.04411	14.8
147.08047	1.3
147.11659	5.2
148.05025	0.7
149.02422	0.5
149.05965	2.1
149.09613	1.6
149.13322	0.5
151.03923	2.4
151.07549	21.3
151.11197	4.3
152.04712	0.6
153.09154	0.5
155.03394	31.3
155.06975	0.9
156.03714	0.8
157.10173	0.8
161.05963	1.7
161.07162	0.8
163.11148	0.5
164.04654	0.9
164.91837	0.5
165.09097	1.7
165.12770	2.5
167.07043	23.7
168.07430	0.4
169.04967	0.8
169.10117	0.6
170.05746	100.0
171.06099	1.2
175.11197	3.8
175.14862	1.7
179.07040	78.5
180.07465	1.3
181.08569	1.9
181.12222	0.7
193.07126	0.5
193.08563	2.9
193.12256	5.2
193.15900	1.3
211.05925	1.0
211.07640	1.1
211.09651	10.2
211.11499	0.9
211.13187	5.9
211.15002	0.7
211.16910	1.1
212.09277	0.5
212.11839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Multifidol
Peak:m/z	Relative Intensity
50.92607	0.3
53.00333	0.3
53.03950	1.4
57.07074	100.0
58.07406	0.6
67.01867	6.0
67.05488	0.4
68.39165	0.3
68.99815	0.8
69.07092	0.4
71.05000	1.2
81.03419	5.7
81.07053	0.8
83.04973	0.3
85.02918	1.2
85.06541	60.1
85.38483	0.3
91.05523	0.3
95.08617	1.0
97.02889	2.2
99.04459	2.4
109.02872	8.2
109.10154	0.6
111.08031	0.4
117.51075	0.3
119.08622	0.5
127.03912	22.9
135.11713	0.7
137.09659	0.6
139.07564	0.9
146.24544	0.3
155.08572	1.3
165.09132	0.5
169.10165	1.9
181.10159	0.6
182.10796	0.3
183.11662	0.6
196.12498	1.0
211.09641	38.4
211.14771	3.9
212.09966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Cladobotrin IV
Peak:m/z	Relative Intensity
50.15852	0.4
53.03936	1.6
54.12932	0.5
54.84894	0.4
55.01864	0.7
55.05494	1.7
56.96564	6.5
57.03443	2.4
57.07062	0.8
59.33747	0.5
65.03928	0.6
67.05503	3.5
69.03418	1.2
69.07055	1.9
70.64574	0.9
70.64929	1.0
71.04992	12.5
78.60970	0.5
79.05488	2.3
81.03394	1.5
81.07034	2.2
83.04958	1.4
83.08609	0.7
84.96013	1.2
85.06520	2.0
91.05474	2.8
93.07037	1.6
95.04951	5.9
95.08620	2.6
97.06523	0.7
97.99158	1.2
99.04444	1.2
99.08098	1.6
99.72693	0.5
101.26981	0.5
105.07021	3.6
105.74721	0.5
107.04992	1.1
107.08559	1.4
109.06525	2.4
109.10146	3.1
111.08060	0.7
113.05994	9.2
115.05428	1.7
116.00191	1.9
117.07005	0.9
119.08593	1.9
123.04404	1.6
123.08073	1.0
123.11653	1.2
124.05198	1.5
125.05992	1.1
131.08557	0.5
133.06451	1.6
133.10114	1.6
135.11665	1.4
137.05974	36.6
137.09616	1.6
139.01788	0.5
139.03902	1.1
141.05467	4.2
147.08092	2.8
150.06770	0.8
151.03896	1.3
151.07544	0.8
153.05463	15.5
153.06735	0.9
155.08537	1.9
157.70311	0.4
161.05983	0.8
164.04678	1.5
165.05504	2.2
165.09120	16.9
167.07062	4.1
168.09396	0.6
169.04970	16.2
169.10063	1.1
169.73126	0.5
170.51180	0.5
175.07469	2.1
175.11168	0.8
175.14839	1.0
178.06339	0.6
183.11740	0.6
193.08604	38.9
193.15938	0.5
196.12373	0.8
211.09636	100.0
211.14984	2.5
212.10030	1.1
217.35809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08533	10.1
54.82786	10.9
70.06588	12.0
70.11662	44.0
80.80864	9.9
89.23418	8.7
94.93013	15.7
96.92805	11.0
112.89616	12.9
118.86012	10.4
120.94581	25.0
148.24811	10.3
210.89374	16.6
210.94032	100.0
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
52.11437	3.5
52.41458	3.9
53.73757	3.3
55.01869	11.7
55.05511	18.0
57.07074	5.6
67.05499	17.0
69.03393	3.4
69.07066	13.7
71.04990	4.2
71.60998	4.1
79.05500	11.8
81.07054	29.1
83.04994	10.3
83.08624	13.7
83.98762	4.0
91.05483	10.6
93.07046	36.2
95.04977	14.1
95.08607	57.3
97.06522	6.4
97.10181	4.1
97.85502	4.5
103.05523	4.0
105.07021	13.7
107.04974	5.1
107.08595	66.8
109.06523	25.1
109.10149	41.7
111.08031	8.3
119.08550	9.3
121.10123	34.9
123.08073	6.3
125.06072	4.1
125.09641	5.5
131.08568	7.0
133.10129	7.4
135.08075	11.1
135.11699	13.8
145.10117	4.7
147.11717	7.5
149.09644	8.2
149.13261	33.8
151.11214	12.5
153.09105	11.4
163.07599	4.0
163.11099	4.6
163.14836	100.0
167.14346	8.9
173.13278	19.2
177.05460	10.9
191.07011	8.0
191.14297	61.7
194.10931	4.4
194.74992	3.5
209.04491	12.1
209.08051	8.9
209.09987	3.9
209.11635	6.7
209.13445	8.2
209.15320	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82493	3.1
53.03947	3.5
55.01878	6.7
55.05514	58.3
56.05032	10.0
57.07080	29.2
58.06591	4.8
59.06111	4.9
67.05495	12.8
68.05033	4.7
69.03452	4.5
69.07073	100.0
69.07455	4.8
70.06589	11.5
70.13482	18.7
71.06108	3.8
71.08625	13.9
72.08169	3.9
73.20217	3.0
79.05502	6.7
81.04558	5.3
81.07060	12.0
82.06585	7.1
83.04994	18.9
83.06103	14.6
83.08627	66.6
84.05645	7.1
85.06493	4.2
85.07656	6.5
85.10174	4.7
86.06099	3.7
91.05497	9.4
93.07070	17.0
95.04972	13.3
95.06092	5.6
95.08591	12.6
97.06562	8.0
97.07648	10.5
97.10172	39.7
98.07174	5.7
99.04450	4.5
99.09221	6.4
103.05499	4.5
107.08588	17.7
109.06525	20.9
109.07630	8.8
109.10155	8.0
110.07195	10.2
111.08064	10.4
111.09227	9.8
111.11728	15.4
112.08746	6.3
119.08620	4.4
121.06467	6.5
121.10168	18.4
122.07152	8.6
123.05654	5.6
123.06689	10.0
123.08092	7.0
123.09184	4.9
124.08719	8.3
125.07130	4.3
125.08242	6.9
125.09651	8.7
125.13278	4.7
126.06615	4.9
126.10290	4.4
131.08539	4.6
133.10144	9.8
135.08067	9.7
137.08186	4.1
138.10263	4.7
138.19206	3.7
145.10158	6.4
147.08122	3.4
149.05962	4.2
149.08243	14.6
149.09583	12.0
149.13281	6.8
150.06633	7.8
150.10330	5.7
151.03873	3.9
151.07552	4.5
151.09862	6.5
151.11197	13.0
151.28098	3.5
153.05489	5.9
153.09100	7.0
163.07549	5.2
163.14850	5.1
167.09248	9.8
167.12994	3.7
167.14325	7.6
169.79172	3.4
173.13254	4.9
177.05368	6.2
191.06932	4.7
191.14302	9.9
192.73260	3.4
209.04440	6.5
209.07909	6.2
209.10046	9.2
209.11888	4.4
209.13666	6.6
209.15372	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	3.3
54.40120	2.1
54.81326	2.0
55.01863	5.2
55.05515	85.4
57.03450	4.4
57.07064	6.3
59.05003	5.6
65.03927	3.1
67.05495	9.5
69.03432	18.8
69.07059	11.9
71.04990	7.3
71.37248	3.0
71.37576	2.9
79.05497	13.0
81.07065	17.6
83.04990	100.0
83.08626	46.3
85.02908	2.9
85.06535	6.3
91.05476	11.5
93.03401	3.5
93.07039	23.1
95.04972	33.4
95.08607	10.4
97.06543	15.9
97.10153	10.3
99.04458	5.4
99.08122	3.4
103.05470	6.4
105.07048	12.7
106.04185	11.4
107.04968	2.8
107.08596	33.0
109.06519	34.7
109.10168	32.6
111.04451	3.8
111.08085	12.8
119.08582	4.8
121.06495	17.7
121.10153	44.1
123.08093	5.7
123.11720	12.6
125.06026	3.7
125.09644	11.8
131.04962	2.5
131.08582	13.4
133.10155	18.2
134.03636	2.2
135.08112	6.7
135.11671	5.4
145.10161	6.0
147.15503	2.6
149.05992	15.9
149.09610	7.5
149.13280	9.8
151.11192	55.1
153.09140	17.2
163.11215	3.5
163.14836	5.4
167.14337	84.9
167.15787	4.1
171.80142	2.4
173.13249	9.0
177.05466	11.8
181.08603	2.7
191.10710	4.7
191.14307	14.3
209.08199	10.3
209.11899	3.7
209.15379	60.2
222.04283	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	8.6
55.01876	52.8
55.05513	37.0
56.20480	2.6
56.96564	6.8
57.03434	6.6
57.07066	6.2
58.54042	2.3
59.04980	2.4
63.81017	2.4
65.03938	9.3
65.37479	2.6
67.05509	17.6
69.03428	7.5
69.07063	17.9
71.04994	15.3
71.59290	2.9
75.04480	6.6
78.04720	8.7
79.05496	38.8
81.03407	4.8
81.07057	28.6
82.06601	2.6
83.04988	41.0
83.08630	20.1
85.02923	9.9
85.06543	5.2
89.03935	7.8
91.05479	59.3
93.03408	20.7
93.07049	54.4
95.04967	59.0
95.08604	14.1
97.02892	2.9
97.06548	16.7
97.10153	3.2
99.04454	9.5
99.08141	4.5
100.11271	8.9
103.05473	29.0
105.07028	29.9
106.04182	52.5
107.04948	18.9
107.08595	49.5
109.06528	62.7
109.10162	22.1
111.04437	7.6
111.08089	6.7
115.05464	2.9
117.03360	10.4
117.07030	8.9
118.04192	3.8
119.01881	2.6
119.04945	6.9
119.08580	11.2
121.06512	91.3
121.10141	35.0
123.04429	4.7
123.08064	11.3
123.11721	6.1
125.06016	15.3
125.09644	10.4
130.04164	3.1
131.04938	18.4
131.08571	48.6
133.02791	3.0
133.10133	34.4
134.03629	10.5
135.04395	5.6
135.08054	18.5
135.11708	9.0
137.05975	9.7
138.06694	3.8
139.07590	6.5
139.11205	3.0
143.08630	3.3
145.02838	13.4
145.10123	26.7
147.04468	5.4
147.11705	4.7
148.05214	11.3
149.02394	4.0
149.05983	100.0
149.09621	48.7
149.13284	10.1
151.03966	4.1
151.07524	4.1
151.11188	19.3
153.05492	14.8
153.09103	34.4
163.03978	5.5
163.07555	13.9
163.11200	20.6
163.14815	5.8
165.09163	6.1
166.06306	3.7
167.07085	6.2
167.10721	2.4
167.14297	19.8
173.09573	5.0
173.13319	19.9
176.04701	6.0
177.05467	64.2
178.06041	2.6
181.08606	19.2
182.15460	3.9
191.07056	25.3
191.10701	24.5
191.14284	23.7
194.05724	4.1
209.04480	9.0
209.08087	53.1
209.11713	34.3
209.15245	45.3
215.33401	2.3
221.41676	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.30046	3.1
53.03930	5.5
55.01874	38.0
55.05512	35.4
57.03438	4.4
57.07071	9.3
59.04999	6.3
59.37839	4.1
67.05502	23.3
69.03412	9.4
69.07061	19.3
71.04986	10.0
71.58977	6.1
79.05500	25.0
81.07043	25.4
83.04974	40.6
83.08617	21.0
85.06536	6.8
91.05495	29.1
93.07051	45.6
95.04967	62.6
95.08607	24.7
97.06529	13.5
97.10172	4.5
99.04462	15.1
99.08111	4.3
103.05465	15.2
105.07039	30.0
107.04939	9.7
107.08591	40.9
109.06525	75.1
109.10137	25.1
111.04466	3.7
111.08068	9.4
117.03453	5.0
117.07014	7.1
119.08586	64.2
121.06511	23.3
121.10137	40.8
123.08075	14.7
123.11697	12.8
125.05977	8.0
125.09627	12.4
128.06195	3.6
131.04913	9.3
131.08543	13.3
133.06465	4.2
133.10123	20.8
135.08058	23.8
135.11700	10.4
137.09590	10.8
145.02846	13.8
145.10123	14.4
147.04402	5.3
147.08064	23.5
147.11725	6.5
148.05223	6.6
149.05984	21.7
149.09619	21.9
149.13255	22.5
151.11140	26.2
153.05444	10.1
153.09123	30.0
163.02773	12.0
163.07582	5.6
163.11220	13.7
163.14891	7.3
165.09129	28.5
166.07820	4.7
167.08575	6.1
167.14333	29.5
173.09702	6.5
173.13274	17.0
176.04726	5.7
177.05467	38.7
178.52734	3.9
179.08508	23.1
180.09099	4.4
181.08549	6.1
181.10149	8.6
191.07011	27.5
191.10693	13.6
191.14311	36.2
193.10101	5.1
194.10880	22.3
209.04442	11.0
209.07954	35.7
209.09721	8.5
209.11749	10.3
209.13263	60.0
209.15375	100.0
209.18932	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.17455	1.5
53.03950	2.9
55.01883	8.9
55.05511	29.2
57.03444	3.4
57.07073	6.5
59.04998	4.7
65.03927	2.2
67.05499	12.4
69.03434	5.1
69.07049	8.6
70.72649	5.6
71.04983	11.8
79.05499	15.7
81.07057	20.5
83.04983	72.9
83.08615	14.8
85.02921	2.4
85.06547	2.0
91.05485	15.7
91.17685	1.7
93.03423	1.9
93.07039	18.0
95.04970	45.5
95.05562	3.2
95.08613	17.3
97.06516	15.2
97.10180	2.5
98.21448	1.7
99.04463	6.3
99.08159	2.3
103.05466	4.1
105.07036	15.2
106.04205	4.5
107.04945	3.7
107.07888	1.9
107.08598	27.7
109.06521	100.0
109.10152	26.7
111.04482	2.2
111.08099	8.5
111.68343	1.6
113.09671	3.2
117.03461	1.7
117.07044	4.0
119.08581	5.3
121.06496	15.6
121.10136	21.2
123.08045	9.4
123.11701	2.1
125.06011	4.8
125.09646	6.5
129.06940	1.7
131.04898	2.3
131.08583	26.8
133.10141	20.5
135.08047	19.3
135.11725	3.0
136.62968	1.7
137.06000	1.9
143.08611	2.6
145.10138	11.0
147.04379	3.2
147.08057	2.8
147.11667	3.3
149.06030	10.8
149.09634	20.8
149.13266	10.4
151.11188	12.7
153.09106	23.9
158.10875	2.9
163.11191	6.9
163.14874	2.9
167.07120	2.1
167.10760	1.9
167.14346	18.6
173.13281	15.6
177.05516	8.3
191.10684	7.0
191.14294	25.2
209.08151	6.6
209.11772	11.8
209.15331	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	3.3
55.01629	1.0
55.01870	15.4
55.05508	25.7
56.05804	1.2
56.45253	0.8
56.96557	1.5
57.03432	4.7
57.07075	4.0
59.04979	2.5
65.03928	3.2
67.05504	14.9
68.99777	1.6
69.03427	20.2
69.07066	19.6
69.62895	1.5
69.63297	4.9
70.06594	1.0
71.01337	1.6
71.04991	15.5
75.04446	1.4
77.03897	0.9
78.04694	1.7
79.05490	32.8
81.03396	3.1
81.06584	1.1
81.07053	20.8
83.04974	22.6
83.08615	8.5
84.08099	1.0
85.02875	2.7
85.06532	7.6
87.04448	0.8
89.03909	1.6
91.05477	27.2
93.03407	4.8
93.03892	0.8
93.07040	43.2
95.04971	20.3
95.08054	1.3
95.08607	18.8
97.02872	1.7
97.06533	14.4
97.10169	14.0
98.97531	0.9
99.04449	4.3
99.08088	13.0
103.05472	7.6
105.03378	1.2
105.04515	1.1
105.07024	27.3
106.04181	13.1
107.04317	0.9
107.04960	14.7
107.08591	59.3
109.02832	1.2
109.06512	20.7
109.09451	1.4
109.10149	15.8
110.07158	1.8
111.04437	6.1
111.08089	9.7
113.06005	6.9
115.05476	1.0
116.06238	1.3
117.03385	1.8
117.07004	6.7
119.04919	1.5
119.08574	15.5
120.05724	1.5
121.06502	35.8
121.07373	2.0
121.10137	41.5
123.04393	2.2
123.08061	9.9
123.11719	5.0
125.05993	17.4
125.09624	79.3
127.07512	2.1
129.06989	3.4
130.07756	2.6
131.04890	3.9
131.08562	56.9
133.02834	1.1
133.06444	2.9
133.10124	14.2
134.03606	3.3
135.04456	4.0
135.08061	16.9
135.11707	9.8
137.05962	4.9
137.09602	6.0
139.07523	7.6
139.11165	4.5
141.05438	1.3
143.08531	2.5
145.02837	3.0
145.06461	1.9
145.10115	30.7
147.08051	6.3
147.11690	7.7
148.05153	3.3
149.05992	24.1
149.09615	100.0
149.13232	11.5
149.85916	0.9
150.09961	0.9
151.07582	3.9
151.11177	38.6
153.05469	6.3
153.07903	1.4
153.09093	22.4
154.05609	0.9
154.09879	2.2
155.08560	1.0
155.10670	1.3
158.10927	1.0
161.09613	2.3
163.03940	1.2
163.07520	3.6
163.11171	25.9
163.14818	12.4
165.09148	4.8
165.12704	1.4
166.06168	1.2
167.07057	4.9
167.10637	5.8
167.14305	7.3
168.04115	0.9
173.09650	6.5
173.13229	9.0
176.04669	1.5
177.05444	18.1
181.04971	2.0
181.08582	4.7
181.12131	1.2
181.15854	0.9
186.42447	0.8
191.07047	6.7
191.10678	30.3
191.14281	34.9
194.05746	2.8
197.07474	1.2
209.04442	2.2
209.06291	0.9
209.08150	17.1
209.11737	56.5
209.15343	72.1
210.12038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03950	1.4
55.01875	6.3
55.05513	20.9
56.96580	0.6
57.03427	0.6
57.07080	3.4
59.05008	0.9
65.03931	0.5
66.94067	0.5
67.05509	13.0
69.03433	1.5
69.07075	5.4
69.77808	1.2
69.78216	1.4
71.04986	2.0
79.05490	9.9
81.03427	0.5
81.06665	0.3
81.07059	18.0
83.04984	100.0
83.08621	5.0
85.06541	2.0
91.05479	5.6
93.07048	18.3
93.49847	0.4
95.04969	4.2
95.08609	16.3
97.06522	2.0
97.10195	1.4
98.20828	0.7
99.04467	0.7
99.08102	1.2
101.06028	0.4
103.05489	0.6
105.07026	3.5
107.04972	0.8
107.08598	16.3
109.06523	5.2
109.10167	5.8
111.04465	0.8
111.08085	8.0
117.07063	1.6
119.08598	2.1
121.06510	2.6
121.10153	10.7
123.08095	1.3
123.11702	3.7
125.05985	0.8
125.09624	2.9
131.04965	0.5
131.08600	3.6
133.10147	2.2
135.08072	4.8
135.11703	2.3
137.09605	1.1
139.07555	1.3
145.02843	0.5
145.10132	1.2
147.08047	0.6
147.11710	2.0
149.05949	1.2
149.09645	2.5
149.13266	7.5
151.11157	1.9
153.05513	0.4
153.09100	2.9
158.10907	0.5
163.11266	1.0
163.14825	8.6
165.07028	2.1
165.12764	2.7
166.07780	1.1
167.08577	3.2
167.10699	0.5
167.14368	1.3
173.13298	4.0
177.05495	2.2
179.08556	6.6
180.09264	1.3
181.10071	2.6
181.15871	1.6
191.07098	1.0
191.10703	0.8
191.14317	7.4
193.10188	0.6
193.12175	0.5
194.02277	0.4
194.07332	0.5
194.10919	5.7
194.12851	0.7
209.04477	1.2
209.06248	0.9
209.08063	1.9
209.09735	3.5
209.13301	16.4
209.15414	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02389	1.2
53.03939	2.4
55.01871	4.4
55.05511	28.5
57.03421	2.4
57.07071	4.7
58.26980	1.1
59.04993	3.0
65.03953	1.3
67.05510	13.3
69.03417	3.6
69.07071	12.7
71.04995	15.2
71.54642	2.0
71.54980	1.4
77.03982	1.3
79.05495	32.1
81.03439	1.2
81.07057	19.2
83.04985	57.4
83.08621	11.0
85.06552	1.8
91.05477	20.7
91.06009	1.8
93.07045	30.8
95.04972	37.2
95.08602	17.4
97.06533	12.5
97.10173	2.9
99.04462	7.4
99.08106	1.4
103.05433	1.9
105.04539	1.0
105.06461	0.6
105.07027	22.5
107.04963	10.1
107.07868	2.6
107.08601	48.4
109.06519	100.0
109.10163	21.8
111.04429	1.4
111.08073	9.1
113.05984	1.8
113.09694	1.3
115.05468	1.0
115.35027	1.0
116.06187	1.5
117.07043	6.7
119.08579	8.3
121.06519	22.1
121.10142	31.0
123.08077	12.8
123.11686	3.6
125.06016	5.6
125.09649	4.7
129.06966	2.6
130.07826	1.4
131.08575	69.3
133.10144	19.5
135.08058	27.1
135.11694	3.4
137.05923	1.1
139.07614	1.2
139.11113	1.5
141.05429	1.1
143.08562	3.1
145.10124	25.3
147.08075	2.5
147.11705	4.5
149.05991	2.5
149.09625	43.9
149.13281	11.5
150.10164	1.1
151.11192	13.5
153.05438	6.0
153.09106	15.5
158.10918	2.8
163.11188	18.1
163.14789	3.1
165.09055	1.9
167.07014	3.1
167.10684	1.5
167.14319	22.1
173.09650	1.4
173.13257	15.5
177.05447	1.3
187.69107	1.3
191.10686	17.1
191.14319	26.5
209.11749	36.5
209.15343	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	2.7
55.01876	9.0
55.05513	20.1
56.96574	12.8
57.07058	5.2
63.70348	1.3
67.05510	10.2
69.03425	3.2
69.07059	5.9
71.05003	6.7
71.95274	2.4
79.05498	10.2
81.07064	14.8
83.04984	20.0
83.08621	13.8
85.06564	1.9
91.05482	12.1
93.07043	16.7
95.04970	45.1
95.08617	13.3
97.06534	8.1
97.10168	3.8
99.04481	7.9
103.05466	4.4
105.07037	10.2
107.04993	3.4
107.08595	23.2
109.06520	67.5
109.10156	16.7
111.04473	3.5
111.07363	1.5
111.08056	7.5
117.03407	1.8
117.06998	2.1
119.04939	1.9
119.08603	14.4
121.06520	6.3
121.10149	16.2
123.08068	8.9
123.11713	5.0
125.09634	8.0
127.00646	3.0
131.04929	2.1
131.08583	8.4
131.09381	1.5
133.10127	15.6
135.08060	18.2
135.11661	5.3
137.09605	1.7
145.01682	9.9
145.02718	1.4
145.10141	7.9
147.04362	1.5
147.08063	4.6
147.11661	3.2
149.05991	7.4
149.09642	4.6
149.13275	8.1
150.10381	1.5
151.11177	14.0
153.05455	2.2
153.07063	1.9
153.09100	18.4
158.10919	2.1
159.04466	1.9
163.02794	100.0
163.11195	5.9
163.14903	3.2
165.07024	2.3
165.09131	5.4
165.12544	1.3
167.07037	6.9
167.08571	3.8
167.14305	18.9
167.15614	2.1
173.13271	9.5
177.05496	14.8
179.03078	1.6
179.08562	14.5
180.09323	1.5
181.03839	74.5
181.10118	2.8
186.04376	30.3
186.05942	1.9
191.07108	3.5
191.10666	2.6
191.14317	19.3
194.10898	8.3
199.04832	1.5
204.05420	15.1
209.04341	2.8
209.06009	6.2
209.08090	5.4
209.09772	3.8
209.11560	2.4
209.13284	22.0
209.15395	44.7
227.07100	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	2.2
55.01874	11.6
55.05503	3.1
57.03445	0.9
57.07082	5.5
58.74009	0.7
65.03935	3.5
67.05518	6.6
69.03413	3.6
69.07060	3.0
70.81377	1.2
70.81738	2.2
71.05006	5.4
73.02916	2.2
75.04481	2.5
77.03936	0.8
78.04710	2.9
78.81298	0.8
79.05505	8.5
81.03417	1.2
81.07062	9.4
83.04977	3.3
83.08616	2.2
85.02910	2.7
85.06544	1.7
89.03922	2.3
90.18979	0.7
91.05483	16.4
93.03421	5.6
93.07043	16.1
95.04979	10.7
95.08620	7.3
97.06541	3.4
99.04452	1.5
103.05482	7.6
105.07038	7.4
106.04177	19.4
107.04935	3.3
107.08596	10.9
109.06519	100.0
109.10167	10.8
111.04457	1.6
111.08090	1.6
113.06002	0.9
117.03383	1.8
117.07012	1.5
118.04170	1.0
119.04919	1.7
119.08583	3.7
120.05760	0.8
121.06508	25.8
121.10143	8.9
123.04438	1.2
123.08064	11.0
123.11705	1.0
125.06024	4.9
125.09650	2.3
129.07005	1.0
131.04961	4.1
131.05821	0.9
131.08591	8.6
133.10165	5.3
134.03641	3.1
135.04434	1.8
135.08049	26.0
135.11702	2.0
137.05997	3.3
137.09662	1.8
139.07632	1.5
145.02817	4.0
145.10129	5.2
147.04446	1.8
147.08012	1.7
147.11656	4.2
148.05206	4.6
148.08852	1.0
149.05991	31.8
149.09587	6.2
149.13251	3.0
150.10416	1.3
151.03879	1.0
151.07495	1.1
151.11200	7.7
153.05475	2.3
153.09113	11.1
158.10999	1.5
162.98924	0.8
163.03941	0.9
163.07571	2.6
163.11177	4.7
163.14836	1.5
164.04813	0.9
165.05551	1.2
165.07031	1.2
166.06224	1.4
167.07010	0.7
167.08502	1.1
167.14291	1.4
173.09671	0.9
173.13272	7.6
176.04669	1.7
177.05475	20.9
179.08553	2.8
181.08604	7.2
181.10071	1.3
191.07114	5.9
191.10735	4.1
191.14310	23.6
194.05737	2.1
194.10902	2.2
209.08086	18.3
209.09875	2.1
209.11633	1.6
209.13292	7.2
209.15398	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	8.1
55.01874	18.5
55.05508	25.1
57.03427	6.3
57.07066	7.9
59.04992	4.0
65.03937	10.8
67.05499	21.0
69.03432	14.0
69.07072	15.7
70.85664	2.1
70.86002	4.5
71.04993	13.0
75.04473	8.9
77.03928	3.5
78.04697	8.8
79.05495	28.9
81.03416	5.1
81.07056	26.0
83.01345	9.2
83.04980	22.0
83.08615	12.3
85.02891	7.7
85.06543	5.0
89.03918	6.5
91.05487	52.7
92.06309	2.1
93.03405	19.4
93.07043	48.9
95.04973	48.8
95.08153	2.1
95.08614	22.4
97.06535	31.7
97.10143	4.0
99.04444	9.9
99.08099	28.8
101.06032	2.6
103.05480	24.2
105.07028	25.8
106.03456	3.9
106.04172	68.7
107.04967	13.4
107.08596	54.1
109.02889	3.9
109.06522	45.4
109.10149	21.1
111.04430	6.0
111.08072	15.7
116.06222	2.6
117.03397	4.1
117.07027	6.3
119.04888	3.6
119.08584	12.7
120.05705	3.8
121.06516	91.7
121.10151	34.2
122.06800	2.9
123.04399	5.5
123.08078	21.2
123.11684	5.5
125.05991	29.1
125.09632	21.0
129.06982	2.3
131.04926	10.4
131.08578	25.3
133.02847	3.2
133.10129	22.4
134.03607	12.7
135.04407	7.1
135.08047	18.4
135.11742	6.2
137.05986	13.4
137.09590	10.0
138.06726	2.8
139.07536	17.1
139.11177	5.4
145.02847	8.4
145.10138	10.2
147.04353	3.1
147.11678	7.5
148.05219	12.3
149.05988	100.0
149.09619	91.1
149.13243	13.9
150.06331	2.8
151.03874	2.5
151.07539	5.6
151.11179	31.3
153.05431	8.2
153.09111	36.6
158.10994	2.1
159.04431	3.0
163.03905	2.8
163.07544	7.9
163.11182	10.4
163.14838	7.6
164.07921	2.5
165.05467	4.0
165.08978	2.2
165.12782	5.3
166.06311	3.6
166.07732	2.3
167.07051	7.1
167.10754	3.4
167.14354	10.0
173.13255	18.4
177.05476	51.7
178.05928	2.6
181.08582	23.8
181.15874	3.3
191.07019	8.2
191.10648	9.5
191.14333	35.2
194.05699	3.1
209.04477	3.5
209.06190	2.0
209.08084	34.6
209.09900	5.1
209.11646	15.1
209.15367	92.1
210.15683	2.3
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
50.01592	0.7
51.02381	0.7
53.03947	3.8
55.01626	1.1
55.01870	17.2
55.05510	100.0
57.03423	2.1
57.07067	6.2
59.04986	3.0
61.02894	1.0
63.33286	0.7
65.03938	6.2
67.05165	1.1
67.05504	13.1
68.99757	0.7
69.03426	5.7
69.07067	7.4
70.06588	2.1
70.11201	0.8
70.99438	1.7
70.99789	1.3
71.01337	1.2
71.04999	6.3
71.83305	0.7
75.04485	4.6
77.03892	1.3
78.04726	5.8
79.05487	11.0
80.24689	0.7
81.03400	2.1
81.06580	1.3
81.07053	22.9
82.06114	1.7
82.06579	25.4
83.04980	56.0
83.08617	65.6
84.08143	6.0
85.02883	3.5
85.06543	4.1
85.28499	0.8
89.03920	5.8
89.05998	1.1
91.04902	1.1
91.05479	31.5
93.03404	11.1
93.07040	32.5
93.07630	1.6
94.07364	1.0
95.04968	87.1
95.08604	10.7
96.05276	1.0
96.08116	1.1
97.02866	1.4
97.06529	10.8
97.10169	6.6
98.09684	4.4
98.98452	1.1
99.04455	15.7
99.08109	3.1
100.07611	11.5
100.11256	76.8
103.05470	11.9
105.04472	1.6
105.07035	10.4
106.03456	1.6
106.04173	32.7
107.04997	4.6
107.07864	1.4
107.08588	23.1
109.06520	19.3
109.09459	1.5
109.10155	21.9
110.06053	8.9
110.07262	1.1
111.03714	1.1
111.04444	15.1
111.07354	1.3
111.08070	13.9
112.07622	4.6
112.08720	0.7
113.09636	2.0
117.03381	6.8
117.07010	2.5
118.04121	1.6
119.04944	2.7
119.08579	5.5
120.05721	0.9
121.06503	46.2
121.10133	12.3
123.04418	2.7
123.08059	5.6
123.11690	8.9
124.05180	3.0
124.07566	0.9
125.05991	9.0
125.09626	12.5
126.09152	5.0
127.08691	8.4
127.11169	1.0
128.06206	1.3
128.07079	15.1
129.05463	1.7
129.24800	0.8
131.04936	5.8
131.08565	5.8
133.10144	18.1
134.03624	8.3
135.04436	4.4
135.08052	7.6
135.11699	4.2
137.05981	8.1
137.09615	8.5
138.03062	1.4
138.06709	2.1
139.07535	4.3
139.08656	13.3
139.11145	1.2
140.07053	3.6
145.02853	12.1
145.10127	6.2
147.04405	2.5
147.11691	4.2
148.05206	4.1
149.05980	55.6
149.09595	6.0
149.13263	9.2
150.06349	1.6
151.03886	1.0
151.07512	2.5
151.11180	37.2
153.05492	4.0
153.09106	28.8
153.10345	1.6
157.09764	1.1
158.10971	1.1
159.04369	1.7
163.03929	1.8
163.07518	3.7
163.11194	4.3
163.14854	3.8
164.14336	1.8
165.05528	1.5
165.12747	2.0
166.06291	1.8
167.07048	4.1
167.14311	56.3
168.13736	0.9
173.09619	1.1
173.13257	9.5
176.04639	1.4
177.05466	43.9
179.08505	2.0
181.04892	1.9
181.08615	12.2
181.10060	1.3
182.15399	55.7
186.05606	1.0
191.07018	7.2
191.10674	3.0
191.14293	13.4
192.13815	2.5
194.05730	2.0
209.04391	3.2
209.08073	24.3
209.09593	1.5
209.11728	3.7
209.15265	35.2
209.16628	28.7
210.14879	22.8
210.16606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.55314	1.4
53.03948	7.3
55.01873	18.9
55.05516	17.0
56.10538	1.6
57.03419	5.5
57.07071	7.9
59.04984	2.2
65.03922	6.2
67.05502	15.0
69.03136	1.6
69.03433	18.4
69.07066	9.0
69.31807	1.5
69.57825	1.4
69.77304	10.6
69.88741	1.5
71.04967	5.0
73.44067	1.5
75.04463	2.9
78.04681	3.9
79.05499	17.0
81.03399	5.4
81.07055	32.2
81.26820	1.3
81.74257	1.5
82.04194	2.7
83.04975	18.1
83.08606	8.4
85.02876	6.5
85.06519	5.6
89.03904	3.1
91.04970	2.5
91.05483	33.6
93.03403	9.9
93.06475	3.0
93.07040	47.4
95.04452	1.8
95.04973	22.0
95.08606	14.5
95.85088	1.4
97.02873	4.0
97.06542	15.8
97.10165	2.2
98.98458	5.0
99.04454	4.2
99.08105	2.2
103.05457	10.2
105.07021	10.7
106.04168	26.5
107.04936	4.3
107.08597	30.2
109.06514	100.0
109.10152	14.3
110.03580	1.7
111.04442	3.3
111.07365	2.3
111.08076	29.0
117.03353	2.6
117.07069	2.5
119.04931	3.1
119.08546	8.9
121.06501	35.4
121.10132	14.1
123.04423	1.8
123.08080	11.5
123.11684	4.9
125.06009	7.1
125.09628	37.8
129.06992	3.0
131.04898	4.7
131.08588	14.9
133.10123	15.5
134.03618	5.4
135.04391	3.2
135.07111	2.6
135.08052	37.4
135.11681	6.0
137.05986	4.5
137.09593	5.5
139.07558	8.8
139.11174	1.5
143.08505	1.9
145.02869	3.3
145.10124	7.0
147.04370	1.8
147.11667	5.1
148.05124	4.4
149.04785	2.3
149.05968	38.9
149.09631	11.8
149.13223	7.2
150.10289	2.1
151.07562	4.0
151.11139	9.8
153.05478	2.8
153.09099	26.5
158.10875	2.8
158.94226	1.5
159.04347	2.0
163.07483	5.3
163.11157	7.4
163.14824	5.6
165.12732	7.2
167.06989	1.6
167.10712	2.3
167.14258	4.7
173.13278	20.1
176.12009	2.1
177.05478	23.3
181.04987	1.8
181.08638	9.9
181.09999	2.2
181.46591	1.5
191.06979	6.8
191.10634	5.4
191.14301	77.8
209.04395	2.7
209.08119	15.7
209.11707	7.8
209.15350	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03940	3.0
55.01881	8.4
55.05519	22.4
56.96577	2.9
57.03431	4.8
59.04995	1.9
65.03927	2.3
66.21181	1.0
67.05508	9.3
69.03431	10.4
69.06713	1.9
69.07076	22.6
70.38877	4.0
71.04999	19.5
79.05502	42.7
80.05833	1.1
81.03424	2.4
81.07059	18.5
83.04990	28.2
83.08627	10.7
85.02927	1.7
85.06541	2.4
87.04498	1.5
91.05486	23.9
92.05810	1.2
93.03403	1.7
93.07053	42.9
95.04980	18.2
95.08623	7.0
97.02875	3.0
97.06539	13.9
97.10181	1.6
98.20901	1.2
98.97604	3.2
99.04453	1.5
103.05443	2.7
105.07042	26.3
106.04186	3.1
107.04970	16.1
107.08603	58.2
109.06530	31.8
109.10179	11.1
111.04443	2.2
111.08103	6.9
113.06033	1.5
115.03978	1.1
115.05499	1.4
116.06245	1.5
116.98643	2.5
117.07011	7.5
119.04916	2.2
119.08598	11.2
121.06516	37.1
121.09318	2.5
121.10159	34.4
123.04438	2.1
123.08086	5.3
123.11720	5.2
125.06001	9.6
125.09585	5.9
127.86841	0.9
129.06998	3.8
130.07788	4.0
131.04883	2.2
131.08580	100.0
133.10156	12.3
135.04445	2.8
135.08070	7.2
135.11690	4.5
137.06104	1.3
139.07568	3.7
139.11128	1.2
141.05486	3.3
143.08606	1.9
144.53998	1.1
145.02872	1.7
145.09039	2.4
145.10144	38.9
145.11298	2.0
147.04407	4.0
147.08075	5.8
147.11737	3.1
148.05162	1.6
149.02408	1.6
149.05991	9.5
149.09631	75.5
149.13307	4.4
151.07559	2.5
151.11215	13.9
153.05487	11.3
153.09131	8.5
155.07047	1.3
158.99678	2.2
161.01224	1.3
161.09583	1.2
163.11201	25.6
163.14832	2.5
165.09103	2.9
167.07132	5.8
167.10693	2.7
167.14326	20.1
173.09673	4.0
173.13284	5.0
177.00743	2.4
177.05438	6.0
181.05006	10.5
181.08617	1.2
191.07091	2.1
191.08957	1.8
191.10698	32.5
191.14330	9.3
209.04453	3.7
209.08324	8.4
209.11761	61.5
209.15303	24.0
210.06549	2.8
219.01743	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03942	2.2
55.01868	6.6
55.05510	10.7
56.96557	1.3
57.03438	4.8
57.07072	2.3
59.05004	0.9
65.03940	1.9
65.54524	0.8
67.05506	9.6
69.03439	3.8
69.07066	17.1
69.66521	5.1
69.70507	0.7
71.04995	24.2
77.03916	0.8
78.04704	0.9
79.05493	43.9
81.03410	1.4
81.07062	11.5
83.04980	18.9
83.08616	2.8
85.02908	1.1
85.06550	2.4
89.03915	0.9
91.05479	23.6
93.03403	1.5
93.07042	39.7
95.04362	1.4
95.04965	19.9
95.08605	5.6
97.06527	10.4
97.10183	0.9
99.04468	5.2
99.08090	1.6
103.05472	3.9
105.04539	0.8
105.07032	29.5
106.04157	5.3
107.04955	17.6
107.08594	59.8
109.06519	24.2
109.10149	6.4
111.04460	3.4
111.08109	3.9
113.05994	1.1
115.05460	1.3
116.06232	1.4
117.07024	6.6
119.04968	1.6
119.08588	8.3
121.06506	40.2
121.10142	34.2
122.06811	0.8
123.08043	7.5
123.11711	1.5
125.06007	7.9
125.09626	3.5
129.07004	3.3
130.07787	3.3
131.08569	100.0
132.08853	1.1
133.10127	9.6
133.98032	0.7
134.03677	0.9
135.04449	3.2
135.08044	7.4
135.11684	6.2
135.43027	0.7
137.06009	2.6
137.67566	0.7
139.07535	3.0
139.11194	1.2
141.05446	3.4
143.08557	1.6
145.10127	38.9
147.04420	5.9
147.08041	5.0
147.11681	4.2
148.05179	1.5
149.05984	12.0
149.09618	77.5
149.13232	3.5
150.09943	1.6
151.07558	2.7
151.11172	3.5
153.05484	13.8
153.09111	8.8
155.07080	1.4
158.10944	0.9
163.06148	0.7
163.07535	1.7
163.11179	31.0
163.14885	1.9
165.09135	3.1
167.07082	5.3
167.10692	5.1
167.14299	5.7
173.09549	3.4
173.13263	5.1
177.05466	5.7
181.08611	2.0
187.02704	0.9
191.07056	1.3
191.10672	38.1
191.14288	9.7
209.04495	1.1
209.08139	4.7
209.11732	65.5
209.15257	15.4
210.11993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03935	1.7
55.01871	10.2
55.05511	7.2
56.96564	1.9
57.03427	5.2
57.07077	2.6
65.03929	1.7
67.05508	10.3
69.03425	7.0
69.07069	15.1
71.04993	23.7
71.27341	3.3
76.77927	1.4
77.03918	1.5
79.05493	49.5
81.03391	2.1
81.07055	11.5
83.04978	13.1
83.08617	1.6
85.06520	1.8
86.56588	1.2
91.05476	30.0
93.03413	1.9
93.07044	43.4
95.04967	14.9
95.08591	4.4
97.06541	8.1
99.04441	2.9
102.15998	1.3
102.46918	1.3
103.05435	4.1
105.07034	27.8
106.04206	1.6
107.04948	20.6
107.08601	53.6
109.06533	11.6
111.04425	5.1
111.08066	3.7
117.07042	9.3
119.04955	2.4
119.08594	9.1
121.06510	39.6
121.10146	26.4
123.04450	1.8
123.08058	5.0
125.06004	10.5
125.09584	2.3
127.62564	1.3
129.06981	5.2
130.07744	2.8
131.08568	100.0
132.08923	1.4
133.06496	1.6
133.10146	2.0
135.04372	3.2
135.08067	9.6
135.10736	1.4
135.11676	7.1
137.06003	3.2
139.07521	3.8
145.02824	1.5
145.06496	1.8
145.10129	41.1
147.04399	6.8
147.08044	5.6
147.11687	4.5
149.06017	9.8
149.09624	89.4
151.07578	2.1
151.11215	2.0
153.05446	11.6
153.09117	3.0
155.08482	1.4
163.07486	1.9
163.11188	32.5
165.09125	6.2
167.07048	5.0
167.10741	9.0
167.14290	1.7
173.09601	5.3
173.13258	2.6
177.05518	6.5
187.92577	1.4
191.07054	2.7
191.10675	39.2
191.14326	5.9
194.00374	2.5
209.04463	1.8
209.08075	6.2
209.11734	80.2
209.15205	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03934	2.3
55.01862	9.1
55.05509	16.3
57.03424	3.2
57.07054	4.0
65.03926	2.0
67.05229	1.0
67.05508	12.0
69.03412	3.9
69.07069	16.1
69.82735	5.4
69.83151	2.6
71.04990	22.9
79.05489	40.7
81.07047	14.6
83.04977	30.7
83.08612	3.8
83.65865	1.1
85.02877	1.6
85.06526	2.1
87.06818	1.2
91.05481	24.1
93.07046	37.6
95.04972	22.1
95.08617	7.5
97.06541	9.3
97.10177	1.6
98.21423	1.6
99.04434	3.3
103.05470	2.9
105.07030	27.5
106.04187	3.1
106.77624	1.2
107.04955	15.4
107.08595	50.8
109.05789	2.0
109.06522	40.2
109.10164	10.5
111.04414	3.4
111.08067	4.0
113.06015	1.4
115.05402	1.9
116.06194	1.6
117.07050	7.3
119.08588	10.2
121.06504	38.8
121.10141	31.1
123.08089	7.2
123.11713	2.0
125.05985	9.2
125.09630	3.5
129.06979	4.3
131.08566	100.0
132.08928	1.4
133.06479	1.2
133.10132	11.0
135.08060	13.8
135.11687	4.9
137.05919	2.2
139.07533	2.7
141.05408	1.5
142.43851	1.3
145.02840	1.3
145.10117	38.8
147.04341	1.4
147.08057	6.2
147.11682	3.2
148.08772	1.2
149.05995	9.0
149.09618	74.1
149.13272	4.0
151.07562	2.0
151.11218	6.1
153.05472	11.2
153.09091	6.9
158.10867	1.7
163.11177	30.1
163.14812	2.9
165.09119	6.0
167.07043	7.7
167.10651	7.5
167.14299	10.4
173.09648	6.0
173.13287	6.2
177.05464	3.9
191.10670	42.8
191.14278	12.2
209.08090	5.8
209.11728	80.2
209.15172	16.1
210.93260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.53775	1.0
53.03949	3.1
55.01877	8.8
55.05517	8.5
57.03417	1.1
57.07074	2.7
58.93940	1.6
59.05003	2.6
65.03934	2.2
67.05515	12.7
69.03423	7.0
69.07069	3.7
69.99762	5.7
70.59283	1.5
71.04995	3.0
79.05489	17.6
80.71711	1.3
81.03417	1.3
81.07047	9.9
83.04999	6.0
83.08612	5.6
91.05483	29.3
91.06012	2.4
93.06464	2.7
93.07044	40.4
95.04978	8.8
95.08604	15.8
95.16018	1.2
97.02903	9.0
97.06545	2.6
97.10082	1.6
99.04436	1.8
99.08066	2.0
103.05458	4.7
105.04508	1.5
105.07031	26.8
106.04177	3.5
107.04986	6.0
107.08599	24.9
109.06521	10.7
109.10171	10.4
111.04453	5.4
111.08081	3.2
112.51836	1.2
117.03353	1.9
117.07021	8.7
119.04919	1.3
119.08581	100.0
120.08880	1.5
121.06512	10.1
121.10136	35.4
123.04399	1.5
123.08080	7.5
123.11723	1.8
125.06005	2.3
125.09668	2.0
129.07008	1.4
130.07773	3.8
131.04948	2.5
131.08594	6.4
133.06508	1.8
133.10144	3.4
134.03621	1.4
135.04433	2.3
135.08058	4.8
135.11737	7.9
137.09616	12.6
143.08640	1.8
145.10136	24.2
147.08049	50.6
147.11679	6.5
149.05989	12.2
149.09622	10.6
149.13231	2.4
151.11159	2.5
153.05403	1.3
153.09120	3.3
163.07555	2.5
163.11189	14.0
165.09116	51.9
167.10689	1.8
167.14302	3.5
173.09605	8.6
177.05417	9.7
179.08531	2.0
181.08676	1.4
191.07047	3.7
191.10680	11.3
191.14351	4.3
194.10893	1.7
209.04576	2.7
209.08107	9.2
209.11626	12.3
209.13329	3.1
209.15170	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03934	2.9
55.01876	6.1
55.05508	6.4
57.03424	2.3
57.07068	2.1
61.35743	1.3
65.03931	1.3
67.05502	11.6
69.03418	4.4
69.07069	11.8
69.40434	1.2
71.04595	1.4
71.04993	23.3
71.21583	1.3
71.21915	2.8
78.03706	1.1
79.05492	35.5
81.07058	9.3
83.04972	7.9
85.06549	2.9
91.05477	23.0
93.07040	39.0
95.04976	10.9
95.08584	2.0
97.06531	7.3
103.05476	2.2
105.06380	2.0
105.07034	24.0
105.07692	2.5
107.04956	19.2
107.08601	45.9
109.06519	8.3
111.04446	5.0
111.08069	4.7
116.06253	1.4
117.07016	7.9
119.08583	10.2
121.06515	34.1
121.10143	25.7
123.04426	2.4
123.08080	2.8
125.05995	10.5
125.09557	2.6
129.07024	5.3
130.07761	1.5
131.08569	100.0
132.08922	1.6
135.04398	2.4
135.08052	4.0
135.11687	5.4
137.05956	3.4
139.07523	1.3
141.05518	2.6
145.06480	2.2
145.10121	41.5
147.08060	7.5
147.11691	3.0
149.05997	7.8
149.09622	91.7
150.09976	1.5
151.07655	1.2
153.05452	9.9
163.07549	3.5
163.11177	31.1
165.09114	11.1
167.07045	4.5
167.10661	11.9
173.09663	7.7
177.05467	3.0
191.10675	48.2
191.14304	4.3
209.08107	2.8
209.08426	2.3
209.11737	78.4
209.15327	4.3
211.23859	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03938	2.7
55.01869	6.7
55.05506	4.9
57.03427	3.2
64.21188	1.2
65.03924	2.6
67.05504	19.0
69.03419	2.0
69.07066	9.8
69.78743	1.0
71.04993	18.6
71.07126	2.3
71.07477	1.6
77.03917	1.7
79.05492	38.8
81.03441	1.2
81.07063	7.4
83.04975	11.3
85.06525	3.7
86.05288	1.1
91.05479	25.3
93.07040	34.1
95.04971	19.2
95.08603	1.9
97.06533	8.9
99.04456	1.6
103.05465	3.1
105.07032	20.9
106.04179	3.6
107.04958	22.0
107.08596	44.7
109.06525	17.5
109.10145	1.8
111.04457	8.9
111.08054	1.8
113.05963	1.3
114.84230	1.1
116.06252	1.4
117.07029	7.7
119.08580	16.2
121.06506	29.4
121.09307	2.3
121.10143	30.7
123.04427	4.4
123.08084	6.0
125.05994	12.3
125.09630	1.8
127.03819	1.3
129.07028	5.3
130.07788	3.0
131.08566	86.3
133.06502	1.8
133.10126	3.8
134.03717	1.4
135.04428	2.4
135.08075	6.9
135.11694	6.8
137.05949	2.2
139.07518	2.7
141.05444	1.7
143.08545	1.9
145.06474	2.5
145.10127	43.1
147.08057	8.0
147.11621	2.3
149.05984	8.9
149.09619	100.0
151.07532	2.1
151.11121	1.9
153.05426	7.2
153.09100	6.8
153.88524	1.2
155.07036	1.3
155.08530	2.0
163.07623	5.7
163.11185	36.5
165.09097	19.4
167.07062	3.9
167.10678	20.7
173.09618	9.8
173.13257	2.0
177.05446	4.5
191.07011	2.2
191.10664	66.0
191.14223	5.4
192.11026	1.7
209.08163	3.3
209.11734	97.7
209.15344	8.0
210.11940	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03935	2.6
55.01867	4.4
55.05508	7.2
57.03432	1.3
57.07059	2.1
59.04984	2.3
60.07239	0.9
65.03947	1.1
67.05502	8.9
69.03425	2.6
69.07062	2.9
70.88808	1.9
71.01394	0.9
71.04955	1.0
79.05492	14.7
81.07063	7.6
83.04977	1.5
83.08617	3.5
84.14694	0.9
84.77483	0.9
90.44688	0.8
91.05479	22.9
93.07043	35.5
95.04939	4.9
95.08604	10.0
97.02869	7.0
97.06548	1.7
103.05451	3.7
105.07034	26.4
107.04950	3.7
107.08593	20.5
109.06503	2.7
109.10156	8.7
111.04416	4.2
111.08059	2.0
117.07040	7.9
119.08576	100.0
120.08897	1.1
121.06499	5.9
121.10139	27.1
123.04466	1.9
123.08069	5.9
125.06026	1.4
125.09583	1.2
129.06993	1.6
130.07793	3.2
131.04909	1.6
131.08562	5.4
132.05699	0.9
133.10109	1.3
135.04379	1.8
135.08031	1.6
135.11667	6.3
137.06076	1.0
137.09605	13.3
137.13312	0.9
139.07574	1.4
145.10127	21.3
147.08038	48.2
147.11699	5.4
149.05974	4.4
149.09625	6.2
151.11223	1.3
163.11194	11.8
165.06953	2.3
165.09108	54.4
166.07762	1.3
166.09358	1.2
167.08505	2.3
167.10663	1.6
173.09622	10.7
177.05501	2.0
179.08542	5.2
181.10101	1.9
191.10678	12.7
194.10837	4.3
209.04356	1.2
209.08023	2.4
209.11676	10.1
209.13278	11.4
209.15366	5.0
214.59358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03946	3.8
55.00806	1.0
55.01625	2.2
55.01873	24.5
55.05267	1.3
55.05513	20.1
56.96560	1.8
57.03440	5.0
57.07066	4.9
59.04990	3.0
65.03939	7.5
67.05508	24.6
69.03431	13.8
69.07072	18.3
69.34712	9.0
69.35140	2.3
71.04994	23.5
71.78468	1.0
75.04469	2.6
77.03918	1.8
78.04702	4.4
79.05492	47.6
81.03408	3.5
81.07063	25.7
82.23531	1.0
83.01337	3.9
83.04984	26.7
83.08630	8.5
84.74178	1.1
85.02922	5.5
85.06541	8.9
87.04480	1.3
89.03902	5.0
89.06001	1.5
91.05482	51.2
93.03400	9.3
93.07044	60.4
95.04973	34.3
95.08609	16.3
97.02885	3.2
97.06531	17.9
97.10163	3.0
98.20788	2.4
98.97536	1.9
99.04490	8.0
99.08090	5.5
103.05463	16.7
105.03391	2.6
105.04539	2.6
105.07030	35.0
106.04180	29.8
107.04292	2.1
107.04962	28.8
107.08596	71.3
109.02882	3.6
109.06517	33.6
109.10158	16.4
110.03705	1.2
110.07191	1.6
111.04433	9.1
111.08080	7.7
113.06020	4.0
113.09699	1.4
115.05457	2.1
116.06226	1.5
117.03374	4.4
117.07025	10.6
118.04133	1.6
119.04955	6.9
119.08584	21.4
120.05706	3.1
121.06509	64.6
121.10142	46.9
123.04446	5.4
123.08076	13.9
123.11691	3.9
124.05214	1.2
125.05989	17.6
125.09650	13.2
127.07552	1.8
128.02313	1.6
129.07037	5.5
130.07762	3.9
131.04958	9.3
131.08572	91.9
133.02853	1.4
133.06467	2.4
133.10130	18.2
134.03662	8.1
134.99614	1.2
135.04427	7.1
135.08070	14.6
135.11700	14.5
137.05963	6.4
137.09633	5.9
138.06720	1.6
139.07538	9.7
139.11154	3.2
141.05429	2.6
143.08594	2.0
145.02858	5.8
145.06467	3.6
145.10124	48.5
147.04417	9.8
147.08083	9.3
147.11739	6.4
148.05223	9.1
149.05989	57.1
149.09621	100.0
149.13255	18.8
150.06424	1.5
150.10193	1.8
151.03868	2.6
151.07549	3.3
151.11183	13.5
153.05492	13.4
153.06827	1.7
153.09103	20.8
155.07091	2.5
155.08522	1.9
158.10985	1.3
159.04344	1.4
161.09659	1.2
161.13232	1.3
163.03893	3.2
163.06290	2.0
163.07550	23.6
163.09827	2.1
163.11200	33.7
163.14795	6.6
163.97633	1.7
165.05498	2.6
165.06897	1.1
165.09120	17.0
165.12785	3.7
166.06329	1.5
167.03465	1.2
167.07042	8.3
167.10681	16.9
167.14359	7.4
170.65726	1.3
173.09659	10.0
173.13283	13.0
176.04758	1.7
177.05466	37.3
179.08502	1.6
179.10675	1.2
181.04976	2.2
181.06532	2.8
181.08595	9.9
181.10054	1.9
181.15866	1.5
191.03291	1.1
191.07060	16.1
191.10672	56.8
191.14301	30.1
193.04947	2.5
194.05750	2.3
194.07301	1.9
209.02705	2.2
209.04424	3.9
209.06026	9.2
209.08098	30.0
209.09924	4.2
209.11729	79.6
209.15329	62.4
210.03987	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03941	1.3
55.01874	4.3
55.05511	6.6
57.03436	1.4
59.05005	1.5
67.05499	11.2
69.03422	3.1
69.07066	3.5
71.03774	2.5
71.04985	1.9
79.05499	15.7
81.07056	8.3
83.04974	3.5
83.08613	3.9
85.02931	1.0
91.05481	24.4
93.07044	32.7
95.04969	5.6
95.08607	9.3
97.02882	4.7
97.06563	2.1
103.05466	3.7
105.07031	25.0
107.04946	4.4
107.08600	22.1
109.06547	5.3
109.10164	9.0
111.04446	2.6
111.08053	2.2
115.05465	1.2
117.07013	7.1
119.08585	100.0
121.06503	5.8
121.10139	23.0
123.04410	1.2
123.08039	5.6
123.11678	1.0
125.06023	1.0
125.09676	0.8
128.06258	1.3
130.07809	3.2
131.04907	1.1
131.08592	5.8
132.05702	1.4
133.06490	1.9
133.10167	1.5
135.04398	2.0
135.08012	2.3
135.11708	6.3
137.09613	13.5
139.07573	1.1
145.10124	20.4
147.08054	41.4
147.11711	4.5
149.06001	4.1
149.09616	6.3
149.13278	1.3
151.11186	2.0
163.07574	1.3
163.11189	11.8
165.06966	2.1
165.09117	44.6
166.07784	0.9
167.08594	2.0
173.09613	8.6
177.05487	3.5
179.08510	5.9
180.09239	0.9
181.03835	1.0
181.10123	2.3
191.07091	2.1
191.10693	10.7
191.14351	1.4
194.10918	5.8
209.08073	3.1
209.09743	1.9
209.11684	7.7
209.13280	13.1
209.15384	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	209.1172
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03939	2.6
55.01865	9.2
55.05505	7.9
57.03426	1.9
57.07075	2.3
59.04998	2.8
65.03928	1.8
67.05508	14.7
69.03429	4.9
69.07072	5.8
70.22640	4.2
71.04980	2.3
79.05492	17.8
81.03420	1.6
81.07053	11.4
83.04980	6.3
83.08630	5.0
85.02908	1.1
89.03918	1.7
91.05475	24.1
91.54935	1.0
93.07043	42.8
93.07632	2.2
95.04980	9.0
95.08611	14.0
97.02897	7.2
97.06510	3.3
97.10182	0.9
103.05457	5.3
105.07031	26.7
107.04942	4.9
107.08594	24.8
109.06523	8.8
109.10149	12.5
111.04436	4.7
111.08067	3.0
117.03310	0.9
117.07006	7.2
119.04922	1.3
119.08578	100.0
121.06491	7.5
121.10142	27.2
123.08060	4.9
123.08831	0.9
123.11725	1.2
125.05998	2.0
125.09667	2.6
125.36790	1.0
128.06268	1.0
129.06996	2.8
130.07780	2.1
131.04901	2.8
131.08545	6.9
133.06505	1.9
133.10144	2.5
135.04424	2.1
135.08023	3.5
135.11700	7.4
137.09616	12.3
145.02818	2.2
145.10123	22.5
146.59312	1.0
147.04425	1.5
147.08044	41.7
147.09229	2.1
147.11647	5.3
149.05994	6.7
149.09645	10.6
149.13269	2.9
151.11195	3.5
153.05499	1.9
153.09093	2.0
158.07281	1.2
163.07510	2.2
163.11163	12.2
163.14813	2.2
165.06953	2.2
165.09117	44.7
166.07849	1.6
167.08585	3.5
167.14273	1.9
173.09645	8.1
173.13199	2.1
177.05438	7.2
179.08536	6.8
180.09329	1.3
181.08638	1.3
181.10133	2.3
189.33487	0.9
191.07033	4.2
191.10658	11.1
191.14348	3.6
194.10890	8.0
209.04424	2.3
209.07930	6.5
209.09657	2.5
209.11674	9.0
209.13300	14.7
209.15373	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	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03951	1.2
55.01875	6.1
55.05506	5.1
67.05506	3.7
69.03428	1.3
71.04998	1.6
71.34339	2.2
73.47324	0.9
79.05497	3.6
80.45653	0.9
81.07077	4.8
83.04979	5.4
83.08625	3.6
89.03912	3.2
91.05475	9.0
93.07043	7.5
95.04977	6.3
95.08631	5.1
97.06540	1.5
103.05460	10.6
105.07035	3.3
106.04187	1.4
106.58228	1.0
107.04971	7.0
107.08593	7.6
109.06509	5.7
109.10175	4.9
111.08093	1.5
117.03374	4.2
118.04173	1.2
119.04948	5.6
119.08588	5.5
121.06500	18.3
121.10146	6.5
123.08042	1.1
123.11716	1.6
125.09641	1.4
131.04919	21.3
131.08571	1.7
133.10146	1.9
134.03633	7.2
135.04410	4.4
135.08057	2.5
135.11716	2.2
145.02863	3.0
145.10194	2.1
147.04405	3.9
147.08023	2.2
147.11693	1.4
148.05220	1.6
149.05983	23.1
149.07097	1.5
149.09637	2.7
149.13304	2.6
151.11171	3.1
153.05505	1.6
153.09161	2.6
159.04420	13.0
163.02766	3.0
163.03960	2.0
163.07605	1.2
163.11159	1.8
163.14862	2.6
165.09167	1.5
167.08412	1.1
167.14317	3.2
173.09726	0.9
173.13335	1.3
177.05467	100.0
178.05843	1.0
179.08560	4.1
180.09386	1.3
181.03830	3.8
181.10143	2.2
186.04407	1.2
187.59077	0.9
191.06993	1.3
191.10701	1.6
191.14331	4.8
194.10916	3.4
209.04436	1.8
209.06227	2.1
209.08041	12.2
209.09732	1.4
209.11649	1.7
209.13297	12.1
209.15385	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	209.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01625	1.6
55.01876	21.2
55.05509	18.3
56.96548	2.2
57.03439	3.0
57.07083	4.4
61.02942	1.4
65.03939	10.7
67.05508	12.9
69.03429	4.4
69.07067	8.5
70.90839	3.1
71.04993	9.0
74.59290	1.4
75.04479	6.3
75.28036	1.6
78.04695	10.6
78.69785	1.5
79.05485	17.2
79.05837	1.6
81.03429	3.3
81.07058	15.3
83.04983	31.1
83.08643	8.1
83.64128	1.9
85.02414	1.3
85.02894	8.1
85.06547	4.0
89.03909	5.0
89.06036	2.2
91.05488	42.0
93.03408	26.3
93.07051	31.2
95.04972	42.6
95.08622	10.0
97.02924	2.3
97.06525	17.3
97.10172	2.7
99.04460	7.1
99.08124	2.1
103.05476	16.5
105.03413	2.3
105.07033	14.6
105.80179	1.5
106.04179	69.7
107.04977	10.7
107.08588	22.9
109.06524	47.3
109.10163	10.8
110.03640	1.7
111.04455	6.1
111.08110	6.2
117.03361	3.9
117.07068	4.4
119.04948	4.9
119.08588	6.2
121.06512	75.6
121.10137	15.7
123.04462	4.2
123.08064	8.6
123.11703	3.6
124.05251	2.0
125.06020	20.5
125.09645	6.4
131.04990	9.6
131.05821	1.8
131.08577	28.8
133.02827	2.1
133.10126	16.9
134.03691	11.9
135.04417	5.9
135.08105	8.7
135.11708	4.6
137.05997	14.7
137.09633	2.8
138.06783	3.8
139.07539	6.5
139.11182	1.8
143.08635	1.8
145.02843	5.3
145.10143	11.0
147.08051	2.0
147.11758	2.7
148.05223	7.0
149.05991	100.0
149.09584	18.2
149.10583	1.9
149.13306	6.1
151.03940	1.9
151.07553	2.5
151.11163	14.4
152.08441	2.0
153.05476	8.2
153.09120	28.9
159.04362	2.6
163.07561	8.0
163.11162	10.3
163.14865	2.7
165.05455	1.9
165.09190	2.2
166.06296	3.7
166.37582	1.5
167.07057	3.2
167.10611	2.2
167.14322	12.2
173.13245	11.5
177.05487	54.0
179.08759	1.5
181.08607	24.0
191.07065	7.6
191.10666	9.8
191.14313	20.8
193.05040	1.7
194.05627	2.8
209.04547	4.6
209.08093	33.9
209.09885	2.4
209.11745	18.2
209.15350	38.1
210.26741	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02365	2.0
53.03949	6.4
55.01619	1.8
55.01868	19.6
55.05513	8.0
56.96565	1.8
57.03435	2.1
57.07065	1.6
65.03940	10.9
67.05510	7.9
68.99801	1.6
69.03425	5.1
69.07071	5.9
71.04990	6.0
71.58799	1.1
71.59222	2.4
75.04486	7.9
77.03907	1.7
78.04710	8.7
79.05494	15.6
80.33023	1.0
81.03407	2.9
81.06604	1.2
81.07053	8.8
83.04979	8.1
83.08606	2.5
85.02917	6.6
85.06519	2.2
89.03904	5.6
89.06023	1.7
91.05476	48.9
92.05784	1.3
93.03410	22.0
93.07043	32.6
94.07359	1.5
95.04967	23.8
95.08602	8.2
97.06520	10.7
97.10184	1.7
99.04443	2.5
99.08091	6.5
102.96893	1.5
103.04790	1.6
103.05462	23.3
105.03387	2.1
105.04520	2.4
105.07021	10.1
106.04170	66.8
107.04958	7.5
107.08595	17.3
108.05701	2.2
109.06510	14.9
109.10143	4.5
110.03646	1.3
111.04414	5.6
111.08070	3.5
115.05460	1.2
117.03338	6.0
117.07018	3.7
118.04155	1.9
118.97517	1.2
119.04955	5.3
119.08567	5.2
120.05722	1.6
121.06501	79.3
121.10134	11.0
122.07233	1.8
123.04438	3.1
123.08054	4.1
123.11662	1.9
124.05197	2.5
125.05982	21.0
125.09616	9.6
127.09527	1.4
129.07043	2.0
131.04919	9.4
131.08575	10.6
133.02841	1.8
133.10167	5.4
134.03622	15.1
135.04390	5.6
135.08046	7.5
135.11696	3.7
137.05972	10.6
137.09587	3.7
138.06746	3.1
139.07509	6.2
139.11148	1.4
145.02840	7.4
145.10121	11.2
147.04410	3.5
147.08037	2.6
147.11621	1.2
148.05165	8.0
149.05977	100.0
149.09616	35.0
149.13251	3.3
151.03883	3.1
151.07515	3.6
151.11212	8.5
152.08321	2.9
153.05472	6.2
153.09103	21.8
159.04411	2.7
161.09557	1.9
162.03069	1.7
163.03918	2.4
163.07515	7.4
163.11169	8.4
163.14832	2.2
165.05449	1.5
165.07001	1.1
165.09084	1.4
165.12744	1.2
166.06267	2.7
167.07051	2.8
167.10666	1.9
167.14313	3.5
173.09637	1.7
173.13264	3.3
176.04724	3.6
177.05467	54.0
178.06096	1.6
180.07825	2.4
180.99960	1.3
181.05022	2.7
181.08609	19.7
181.14124	1.8
190.68176	1.1
191.07043	8.4
191.10674	8.9
191.14294	7.9
194.05717	1.5
197.42088	1.1
209.04480	1.7
209.08060	32.4
209.11697	17.0
209.13599	9.4
209.15375	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	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03953	7.9
55.01874	59.7
55.05503	6.9
57.03427	3.4
57.07040	2.6
59.04976	2.0
65.03934	8.4
67.05499	9.2
68.99802	1.6
69.03404	4.9
69.07052	6.6
69.71626	1.7
71.04990	4.4
71.12159	3.7
75.04471	7.3
77.03919	2.3
78.04713	8.3
79.05499	15.3
81.03421	3.4
81.07056	10.6
83.04993	7.9
83.08609	3.5
85.02911	5.3
89.03921	9.0
91.05482	51.5
93.03404	20.4
93.07047	34.6
95.04971	29.9
95.08598	10.1
97.06518	8.5
97.10175	2.7
99.04444	3.2
103.05466	34.4
105.03403	4.2
105.04489	2.8
105.07082	9.7
106.03455	2.8
106.04176	54.2
107.04974	10.2
107.08597	24.1
109.06529	21.3
109.10165	5.5
110.03684	2.5
111.04449	3.4
111.08081	4.6
114.00768	1.7
117.03369	12.7
117.07066	2.3
118.04134	2.9
119.04973	11.5
119.08580	3.6
120.05714	2.1
121.06505	75.0
121.10139	17.7
123.04430	2.9
123.08097	3.9
123.11728	2.7
124.05211	1.6
125.06002	16.7
125.09651	4.0
130.07701	1.7
131.04945	16.4
131.08578	8.3
133.02844	2.9
133.06497	2.5
133.10133	5.0
134.03645	15.7
135.04445	7.7
135.08080	10.0
135.11688	8.4
137.05981	9.7
138.03046	2.6
138.06725	3.0
139.07558	4.4
145.02834	20.5
145.10118	8.3
146.03468	1.7
147.04408	9.4
147.11671	3.2
148.05237	10.8
149.05983	100.0
149.09598	6.9
149.13318	8.2
151.03888	3.5
151.07553	3.3
151.11176	6.3
153.05478	16.0
153.09091	18.2
162.03185	2.1
163.03946	4.6
163.07538	12.8
163.11224	8.7
163.14778	1.9
164.04718	1.9
165.05382	2.2
165.12747	4.7
166.06248	5.7
166.07771	2.5
167.07059	4.1
167.14343	3.9
173.13290	4.7
176.04718	5.1
177.05476	92.8
178.06099	2.0
181.04930	4.5
181.08607	27.4
181.10130	1.4
191.07027	40.8
191.08797	2.3
191.10696	6.6
191.14287	11.5
193.05008	2.7
194.05775	3.8
194.10973	1.8
209.04720	3.3
209.08102	66.4
209.11713	6.7
209.13345	3.6
209.15280	22.9
209.19061	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03941	4.9
55.01877	17.1
55.05508	2.7
65.03944	11.0
66.81075	1.6
67.05503	4.4
69.07058	3.0
70.00888	5.5
70.01301	2.9
75.04472	9.1
77.03930	2.5
78.04713	10.9
79.05492	8.9
81.03427	2.9
81.07054	3.2
82.04217	2.1
83.04955	2.0
85.02906	6.5
85.49057	1.6
87.51893	1.9
89.03916	5.2
91.04974	2.7
91.05490	42.7
93.03413	21.3
93.07050	21.1
95.04986	22.0
95.08594	3.4
97.06522	6.7
98.21484	2.3
103.05472	24.4
105.04493	2.3
105.07029	4.1
106.03466	4.1
106.04183	75.2
107.04964	6.3
107.08564	4.6
109.06517	5.9
109.10154	2.2
110.03661	2.1
111.04404	2.1
117.03388	4.8
119.04971	4.2
121.06509	82.2
121.10084	2.8
122.46660	1.6
123.04387	2.6
123.08096	3.4
124.05197	1.9
125.06027	17.4
131.04906	6.7
131.05873	1.6
133.02858	2.5
134.03629	13.0
135.04388	4.7
135.08038	3.8
135.11708	2.0
137.05960	13.0
138.06757	4.5
139.07527	4.5
145.02844	5.4
145.10083	1.9
147.04410	2.2
148.05167	6.2
149.05988	100.0
149.09648	2.5
151.07547	2.5
153.05421	4.9
153.09105	18.4
159.04407	3.2
162.03107	2.1
163.07539	6.8
165.05447	2.7
166.06310	2.6
167.07007	2.2
177.05484	56.8
181.08591	20.5
191.07033	7.7
191.14420	2.1
194.05844	1.9
209.04543	2.2
209.08125	25.2
209.13576	2.0
209.15376	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	209.0809
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03937	8.7
55.01877	17.9
55.05512	13.6
57.03414	5.5
58.16148	1.9
59.04982	2.9
65.03931	10.6
67.05509	12.2
69.03418	7.1
69.07066	13.5
70.92525	3.7
70.92867	3.2
71.04977	7.8
75.04488	9.7
78.04695	7.9
79.05501	17.4
81.03405	3.4
81.07068	14.8
83.01347	8.5
83.04975	14.0
83.08607	7.2
85.02914	9.1
85.06530	4.1
89.03915	5.0
91.05481	48.9
93.03412	26.7
93.07044	32.4
95.04966	34.1
95.08614	10.6
97.02889	1.7
97.06528	26.9
97.10183	3.1
99.04451	7.7
99.08096	15.9
101.06007	2.4
103.05474	22.3
105.03355	2.0
105.04494	4.3
105.07047	13.6
106.04176	69.3
107.04948	6.6
107.08592	30.7
109.06529	42.1
109.10162	12.5
111.04460	4.2
111.08093	10.8
117.03394	6.8
117.07030	2.5
119.04958	3.2
119.08549	9.6
121.05650	3.9
121.06512	77.0
121.10139	18.0
122.06875	1.9
123.04404	5.5
123.08087	10.0
123.11716	4.9
124.05205	3.3
125.05988	18.2
125.09647	13.1
131.04936	10.0
131.08539	12.5
133.10126	21.7
134.03650	11.7
135.04439	4.1
135.08058	18.0
135.11717	4.8
137.05981	14.5
137.09604	5.6
138.06755	3.9
139.07532	15.1
139.11142	4.6
145.02843	5.9
145.10139	11.2
147.11707	5.4
148.05179	10.4
149.05988	100.0
149.09610	25.7
149.13246	10.1
151.07556	3.6
151.11189	12.8
152.08424	2.0
153.05449	7.0
153.09123	38.5
163.07539	7.1
163.11209	5.6
163.14850	5.7
165.05400	1.7
165.12773	3.0
166.06265	3.9
167.07027	4.3
167.14311	5.4
173.13313	11.2
177.05489	49.9
181.08611	18.7
191.07013	7.9
191.10657	2.5
191.14308	21.2
209.04655	1.9
209.08087	31.8
209.09869	3.4
209.11790	7.4
209.15375	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03941	6.6
55.01875	66.9
55.05505	6.9
57.03431	4.1
57.07055	2.2
65.03931	7.7
67.05515	9.0
69.03431	4.6
69.07052	6.1
69.44027	10.5
69.44455	6.0
71.04990	2.7
71.93371	1.9
75.04482	5.1
77.11061	1.8
78.04695	4.9
79.05490	15.5
81.03416	3.7
81.07059	10.4
83.04980	7.7
83.08610	2.5
85.02905	2.7
85.06548	2.7
87.73020	1.7
88.92406	1.7
89.03915	9.9
91.05484	43.2
92.27955	1.7
93.03407	12.2
93.07040	30.0
95.04967	19.3
95.08602	6.1
97.06502	5.6
99.04441	2.6
103.05465	34.5
105.03425	3.5
105.04550	2.0
105.07026	9.7
106.04185	34.4
107.04977	11.3
107.08594	16.0
109.06507	11.0
109.10139	6.6
111.04417	3.5
111.08094	3.8
117.03391	11.6
117.07011	3.7
118.04132	6.1
119.04946	9.9
119.08553	5.6
120.05714	2.1
121.02838	1.6
121.06510	71.4
121.10149	11.9
121.10876	2.1
123.04427	3.9
123.08076	4.5
123.11710	2.8
125.06000	10.6
125.09616	3.6
131.04942	18.7
131.08554	7.6
133.02837	3.5
133.10101	6.0
134.03622	14.4
135.04384	9.3
135.08061	5.9
135.11662	5.5
137.05956	9.9
138.03136	2.2
139.07504	4.5
145.02846	26.4
145.06421	2.2
145.10101	4.6
147.04439	8.5
148.05186	14.6
149.05986	89.0
149.09576	7.7
149.13261	4.2
151.03883	4.9
151.07585	2.2
151.11134	5.8
153.05473	12.5
153.09090	11.9
153.12718	1.7
157.28156	1.7
159.04431	3.7
162.03119	2.0
163.03896	6.5
163.07573	14.6
163.11121	10.6
163.14835	3.9
164.04651	2.0
165.05476	3.1
166.06194	5.0
166.07556	2.3
167.03310	1.7
167.14272	5.1
173.09666	2.4
173.13306	3.9
176.04645	5.0
177.05476	100.0
179.08530	2.5
181.05045	2.8
181.08582	20.7
181.10039	2.7
186.05598	2.9
191.05374	3.4
191.07033	44.6
191.10669	5.5
191.14278	7.5
193.04947	3.2
194.05846	4.6
194.10808	2.4
209.04280	3.4
209.08083	77.2
209.11635	8.5
209.13368	6.7
209.15292	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.07329	1.1
53.03944	1.4
55.05513	7.6
56.96550	2.8
57.03436	3.3
57.06447	1.3
57.07062	5.6
59.05008	1.4
67.05508	14.2
69.03417	3.1
69.07063	16.7
71.04974	5.4
71.61803	1.9
79.05505	11.0
81.07061	24.9
82.07394	2.2
83.04985	15.2
83.08612	7.5
85.06546	5.6
91.05481	16.4
93.07052	33.5
94.07355	2.2
95.04977	4.4
95.08613	42.0
96.08943	3.1
97.06516	3.7
97.10175	2.5
99.08083	1.5
105.07037	36.1
107.08599	55.0
108.08920	2.8
109.06549	6.0
109.10151	17.9
110.10476	2.3
111.04429	1.5
111.08076	4.0
111.10835	1.6
115.96473	1.9
117.07018	2.6
119.08585	53.4
121.10151	16.0
122.10480	1.8
123.08077	44.8
123.11713	11.3
127.07514	1.3
131.08582	2.7
133.06485	3.1
133.10141	51.8
133.97595	1.3
135.11705	67.5
136.12024	1.7
137.09636	10.0
137.13275	4.2
143.08580	2.0
145.10158	6.7
146.03598	2.9
147.04536	1.4
147.08066	3.3
147.11700	49.7
149.09596	5.1
149.13248	15.3
151.07532	4.5
151.11218	15.5
151.13936	1.7
161.01244	9.9
161.04735	1.6
161.09683	3.2
161.13277	19.6
162.13634	1.3
163.14828	11.6
165.09114	2.0
165.12738	5.1
171.11781	2.3
179.02252	3.7
179.14424	1.4
184.02843	2.2
189.09283	1.5
189.12854	7.6
189.16396	84.5
190.16805	1.6
192.09419	3.1
207.06439	9.2
207.09964	6.7
207.11755	5.8
207.13733	15.7
207.17456	100.0
208.17841	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
52.17261	1.4
53.03955	8.4
54.42377	1.4
55.01625	2.1
55.01875	33.7
55.05266	2.2
55.05513	31.1
57.03437	3.8
57.07074	4.0
59.04988	1.4
61.84626	1.4
65.03955	10.4
67.05517	15.7
69.03426	9.8
69.07060	6.7
71.04980	6.5
71.59546	2.2
75.04481	9.1
77.03928	1.8
78.04715	9.9
79.05488	16.3
81.03419	4.3
81.07063	25.0
82.04198	1.8
82.06577	6.2
83.04984	24.4
83.08620	18.7
85.02913	9.1
85.06532	2.4
89.03916	8.1
89.06018	1.7
91.05487	52.7
92.75620	1.3
93.03404	21.2
93.07049	56.8
95.04974	49.0
95.08620	11.8
97.02881	1.7
97.06541	12.7
97.10177	4.0
97.27017	1.8
98.98472	4.1
99.04459	6.2
99.08092	4.2
100.11251	10.7
103.05479	31.6
105.03390	3.3
105.04510	3.6
105.07024	11.4
106.04184	65.1
107.04931	7.7
107.08597	22.6
109.06524	33.7
109.10166	13.2
110.06105	1.6
111.04445	6.8
111.08086	19.9
116.06320	1.3
117.03399	9.3
117.07001	3.6
118.04167	4.4
119.04975	7.1
119.08585	6.4
120.05769	2.6
121.06508	79.8
121.10149	13.4
123.04476	3.4
123.08056	9.0
123.11689	3.6
124.05228	2.1
125.05991	20.9
125.09637	8.7
131.04924	13.8
131.08528	7.8
131.35397	1.7
133.02856	2.7
133.06552	2.3
133.10136	13.6
134.03622	15.3
135.04437	8.0
135.08063	11.2
135.11697	4.4
137.05981	12.9
137.09613	3.6
138.03174	1.6
138.06799	4.3
139.07541	5.7
139.08624	2.8
145.02859	15.6
145.10088	7.0
147.04388	5.3
147.11732	4.6
148.05190	9.6
149.05991	100.0
149.09631	11.2
149.13339	7.8
151.03889	4.1
151.07530	3.6
151.11180	12.0
153.05510	9.1
153.09125	27.9
159.04425	4.6
163.03873	3.2
163.07587	8.4
163.09979	1.5
163.11211	5.9
163.14806	5.6
165.05504	1.9
165.12756	2.6
166.06290	4.4
166.07765	1.8
167.07114	3.2
167.14323	17.6
173.09627	2.4
173.13298	7.2
176.04689	3.4
177.05479	74.9
179.08585	1.8
181.04991	4.4
181.08611	24.0
181.10023	1.7
191.07011	17.6
191.10698	3.5
191.14340	18.6
194.05779	3.1
209.04472	3.7
209.08105	48.5
209.11754	7.9
209.13380	2.7
209.15250	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03935	4.9
53.85840	1.9
55.01847	1.6
55.05512	17.9
56.96546	2.8
57.07064	4.8
59.04988	2.5
66.07576	1.5
67.05506	24.8
69.03430	8.6
69.07067	23.2
71.04984	5.2
71.08595	1.8
71.20556	1.6
71.60164	3.1
73.06551	2.4
79.05499	16.4
80.11738	1.6
81.03399	10.9
81.07058	41.3
83.04980	6.1
83.08604	9.9
85.02921	3.1
85.06525	6.1
88.78894	1.5
91.05473	24.8
91.48830	1.7
93.06470	2.8
93.07043	36.9
95.04987	11.2
95.08610	72.7
97.02864	2.3
97.06522	5.3
97.10184	3.7
99.08096	3.6
100.72897	2.0
103.05453	3.1
105.07034	41.4
107.04955	3.5
107.08595	54.9
109.06526	11.2
109.10162	48.5
111.08104	5.8
115.96453	2.7
117.07037	4.2
119.04961	4.0
119.08582	87.3
120.08123	3.4
121.06478	5.1
121.10144	26.1
123.08082	22.1
123.11710	19.9
125.09635	19.6
131.08569	6.6
133.06558	2.6
133.10132	50.9
133.97443	4.0
135.08015	3.5
135.11699	28.4
137.05994	3.0
137.09598	15.5
137.13266	3.7
139.11154	1.9
143.08498	2.7
145.10115	7.2
147.04404	3.5
147.08061	9.5
147.11688	47.6
149.05945	1.8
149.09622	13.0
149.13257	19.1
151.07520	5.9
151.11201	36.8
159.11810	2.1
161.05977	2.4
161.09651	13.2
161.13260	25.9
163.11182	4.4
163.14804	16.0
165.09093	6.5
165.12729	7.3
171.11688	5.2
179.10710	2.5
179.17949	4.1
189.09111	4.5
189.12805	14.9
189.16391	65.8
191.08488	2.2
192.09335	7.0
192.14798	1.9
207.02885	2.9
207.06444	13.5
207.08347	3.0
207.09932	11.5
207.11729	8.0
207.13762	30.7
207.17439	100.0
208.16954	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03955	0.5
53.32246	0.5
55.05505	3.7
56.89322	0.4
57.07069	2.1
59.04986	0.7
60.11183	0.5
62.97491	0.5
65.03931	0.6
67.05502	5.6
69.03437	1.2
69.06720	0.9
69.07072	10.2
70.07409	0.6
70.75909	0.9
70.76273	1.2
75.30599	0.5
79.05490	3.8
81.06581	0.9
81.07059	13.8
82.07388	0.6
83.04984	15.0
83.08615	2.0
91.05477	5.6
93.07040	8.6
94.07382	0.5
95.04969	1.6
95.08611	17.3
96.08957	0.9
97.06547	3.9
97.10182	1.1
105.07037	12.9
107.04963	0.6
107.08590	10.3
108.08917	0.6
109.06527	3.7
109.10167	5.5
111.07247	0.5
111.08030	1.1
111.11700	1.1
119.07790	0.8
119.08589	9.8
121.06540	0.7
121.10162	5.0
121.10953	0.8
122.10494	0.8
123.08073	100.0
123.11715	3.3
124.08389	1.1
125.09655	0.5
131.08559	0.8
133.09113	0.9
133.10135	15.6
135.11696	3.8
137.09608	1.5
137.13264	5.1
145.10184	0.8
147.08047	0.9
147.11699	9.6
149.09660	0.7
149.13271	4.0
151.07588	0.6
151.11177	8.3
151.13861	0.8
161.09544	0.6
161.13263	6.0
163.14822	1.9
165.12834	2.6
189.12819	1.2
189.16386	16.7
192.09288	0.6
207.06406	0.6
207.11871	1.0
207.13884	2.5
207.17451	59.2
208.17755	1.4
227.61429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03944	2.0
55.05508	8.9
56.96553	3.4
57.03434	3.1
57.07065	4.9
59.04974	1.4
67.05504	15.8
69.03429	3.9
69.06731	1.4
69.07069	19.3
71.04987	4.9
71.08607	1.5
71.33981	1.2
79.05499	11.4
81.03447	1.2
81.07059	30.5
82.07391	1.3
83.04986	17.2
83.08617	3.6
85.02914	1.8
85.06530	5.2
91.05482	21.0
93.07051	36.6
94.07387	1.7
95.04967	5.4
95.08610	43.8
95.78556	1.2
96.08949	2.7
97.06512	4.3
97.10193	2.5
99.08076	1.9
103.05425	1.5
105.07035	42.9
107.08600	64.6
108.08923	2.3
109.06530	7.6
109.09471	1.6
109.10165	21.3
110.10497	1.6
111.08097	4.0
113.09648	1.3
117.06995	3.2
119.08588	61.8
121.06503	1.4
121.10146	18.6
123.08079	42.7
123.10890	2.4
123.11694	9.5
125.09614	1.7
127.07550	1.6
129.07014	1.9
131.08591	3.9
133.06541	2.7
133.09131	3.0
133.10136	60.4
135.11697	76.3
136.12038	1.4
137.05994	2.7
137.09624	10.1
137.13255	3.5
143.00153	1.9
143.08562	1.7
145.10101	5.2
146.03645	2.2
147.04416	1.7
147.08064	4.5
147.11700	51.8
149.09610	4.1
149.13260	20.5
151.11212	15.7
159.11708	1.5
161.01225	11.3
161.04747	1.3
161.09607	4.2
161.13275	22.7
163.11218	1.3
163.14835	17.7
165.09100	2.2
165.12714	5.3
171.11592	3.0
179.02182	6.6
179.07098	1.7
179.14288	1.9
184.00107	1.6
184.02837	2.7
189.09135	2.3
189.12843	9.3
189.16393	92.0
190.16751	1.7
192.09317	3.8
193.10112	1.2
196.61133	1.5
196.72441	1.3
202.03900	1.6
207.06503	8.0
207.10095	5.5
207.11790	5.4
207.13803	17.4
207.17450	100.0
208.14212	1.7
208.17696	3.2
229.23595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
55.01851	1.2
55.05507	4.9
57.07089	1.8
58.69320	0.9
67.05507	8.1
69.03420	3.3
69.07069	15.7
71.04987	1.2
71.19881	2.1
76.76591	0.8
79.05493	6.4
81.03386	1.0
81.07063	20.6
83.04990	21.2
83.08614	2.3
91.05481	10.8
93.07047	15.0
95.04955	3.3
95.08607	23.4
97.06533	4.6
105.07032	22.3
107.08595	17.4
109.06512	8.5
109.09575	0.8
109.10178	8.2
111.08112	2.1
115.96458	0.9
117.07042	1.4
119.08575	18.2
121.06532	1.0
121.10151	7.2
123.08070	82.8
123.11681	5.1
125.09591	2.0
131.08534	2.5
133.06503	1.2
133.10136	21.4
135.11708	3.0
137.05942	1.5
137.09596	3.1
137.13246	3.7
145.10078	1.6
146.03651	1.2
147.04414	1.1
147.08015	3.1
147.11688	20.7
149.02338	1.0
149.09650	2.3
149.13277	5.6
151.07599	1.6
151.11200	12.9
156.76645	1.0
158.05804	1.0
161.09642	1.5
161.13257	16.4
163.14810	2.5
164.11972	1.9
165.09048	1.7
165.12750	5.8
171.11690	1.6
173.31183	0.9
179.02164	1.4
189.12749	6.6
189.16382	20.6
192.09404	4.7
193.10085	1.0
207.06509	5.4
207.10004	2.0
207.11673	6.4
207.13840	9.8
207.17442	100.0
208.09700	0.9
208.17732	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03947	0.9
54.98167	0.5
55.01865	1.1
55.05508	5.9
56.96579	0.6
57.07075	2.1
59.05003	0.7
61.63634	0.5
61.85924	0.5
63.51970	0.5
67.05502	7.5
67.94384	0.6
69.03422	2.2
69.07066	11.6
71.04981	1.9
79.05491	4.1
81.03427	0.8
81.07057	14.7
83.04982	26.4
83.08616	1.3
85.06557	1.2
91.04967	0.9
91.05482	9.9
91.06033	1.1
93.06474	1.0
93.07047	13.4
95.04968	3.0
95.08603	22.7
97.06540	6.0
97.10165	1.7
98.21492	1.3
105.07024	14.2
107.04958	0.8
107.08595	12.9
109.06521	6.9
109.10162	6.9
111.08070	1.6
111.11735	1.2
117.07008	0.7
119.08578	12.7
119.09444	0.8
121.10130	4.9
123.08066	100.0
123.11668	4.6
124.08414	1.3
125.09647	1.3
131.08574	1.3
133.10133	18.4
135.11703	4.1
137.09619	3.2
137.13249	6.8
145.10126	1.0
147.08041	2.3
147.11682	14.6
149.09641	1.5
149.13277	6.1
151.11189	9.3
161.09621	1.3
161.13278	6.0
163.11183	0.7
163.14812	1.8
165.12787	3.7
171.11716	0.7
179.07047	0.7
189.09157	1.2
189.12775	1.9
189.16396	21.3
207.06552	1.4
207.10100	3.5
207.13875	4.0
207.17439	90.3
208.17719	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.02373	0.3
51.03444	0.2
51.63966	0.2
53.03942	0.8
55.01862	1.3
55.05507	8.3
57.03432	0.7
57.07069	1.3
59.05006	1.2
59.05249	0.2
65.03934	0.9
66.57156	0.2
67.05500	9.8
69.03426	5.6
69.07063	15.0
69.53885	1.2
69.54301	0.5
70.07399	0.3
71.04987	3.4
71.08621	0.3
73.02870	0.2
77.03894	0.5
78.04691	0.2
79.05489	9.9
79.05956	0.5
81.03417	3.9
81.07053	19.0
82.07383	0.4
83.04980	3.3
83.08615	3.8
85.02898	0.6
85.06543	1.9
87.04451	0.6
91.05476	17.4
92.05804	0.3
93.07043	25.6
94.07372	0.6
95.04968	6.8
95.08603	26.0
96.08935	0.5
97.02872	0.9
97.06525	2.8
97.10161	1.4
98.03725	0.2
98.20739	0.3
99.04449	0.5
99.08088	1.1
101.06034	0.4
103.05453	0.9
105.07028	42.3
106.07332	1.2
106.80225	0.2
107.04955	2.4
107.08591	46.9
108.08815	1.0
109.06512	6.2
109.10152	15.9
110.07272	0.6
111.04471	1.5
111.05149	0.3
111.08081	4.7
113.06010	1.0
113.09662	0.3
115.05460	0.6
117.07011	3.1
118.07815	0.3
119.04988	1.2
119.08576	87.4
120.08117	0.3
120.08903	2.5
121.06508	3.6
121.10136	18.3
122.10483	0.4
123.04440	0.7
123.08068	7.3
123.11704	5.2
124.83182	0.2
125.05957	1.2
125.09624	6.5
128.06190	1.6
129.07021	1.1
130.07779	1.2
131.08575	3.0
132.09291	0.3
133.06503	3.5
133.10126	36.5
134.10420	1.3
135.08058	1.8
135.11688	8.8
137.05994	2.7
137.09607	7.1
137.13231	1.2
139.07576	1.1
139.11159	0.7
143.08556	4.3
145.06422	0.6
145.10123	8.1
146.03625	0.3
146.07283	0.7
146.10899	1.1
147.04405	0.4
147.08052	9.9
147.11684	47.7
148.08492	0.4
148.12016	1.5
149.06006	1.2
149.09564	1.4
149.13252	7.4
151.03912	0.3
151.06615	0.2
151.07547	5.8
151.11177	15.4
152.11533	0.4
153.09077	0.4
156.09329	1.3
159.08046	0.4
159.11691	3.0
159.93658	0.2
160.08792	0.4
160.12355	0.4
161.09625	16.5
161.13245	100.0
162.10023	0.4
162.13596	3.8
163.03943	0.3
163.07553	0.5
163.11191	2.9
163.13585	0.4
163.14824	5.9
164.04631	0.3
164.15236	0.3
165.05536	0.4
165.06979	0.5
165.09108	7.0
165.12756	1.7
165.15292	0.4
166.09502	0.3
171.08023	0.6
171.11690	3.7
174.06723	0.4
174.10413	0.6
178.07726	0.3
179.08553	0.6
179.10651	3.6
179.14319	3.0
179.17812	0.3
187.14896	0.3
189.09122	7.9
189.12778	18.8
189.16377	25.1
190.09416	0.3
190.12962	0.5
190.16692	0.7
191.08487	0.8
191.14313	0.5
192.09326	5.0
193.10002	0.8
207.02907	0.3
207.06682	1.8
207.10130	15.2
207.11736	8.2
207.13783	34.0
207.17426	47.1
208.10422	0.6
208.12180	0.8
208.14146	1.6
208.17738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03937	0.8
55.01865	1.8
55.05505	7.6
57.07068	2.8
62.49384	0.7
67.05499	10.4
69.03434	2.2
69.07067	15.1
69.69004	4.8
70.23230	0.6
71.04987	4.9
79.05493	6.6
81.03363	0.7
81.07054	20.5
83.00804	0.6
83.04977	24.4
83.08618	4.1
85.02866	0.8
85.06528	1.3
91.05475	10.4
91.65237	0.6
93.07034	12.5
95.04961	2.8
95.08601	27.3
97.02902	0.8
97.06531	5.0
97.10163	1.9
105.07026	20.0
107.08588	19.2
109.06506	7.0
109.10148	10.2
111.04446	0.8
111.08070	2.0
111.11704	0.9
113.09619	1.0
117.06995	1.0
119.04915	1.1
119.08575	21.3
120.08126	1.2
121.06532	1.1
121.09283	1.1
121.10118	9.6
123.08060	100.0
123.11668	5.5
124.08380	1.4
125.09615	1.1
128.45177	0.7
129.06911	0.8
131.08574	2.2
133.06500	1.4
133.09103	1.5
133.10118	30.2
134.10396	0.9
135.11684	7.9
137.09610	5.6
137.13231	9.0
143.08580	0.9
145.10100	2.7
147.04355	0.9
147.08023	2.2
147.11684	27.2
148.12112	0.9
149.09608	1.5
149.13246	10.9
149.14365	1.1
151.07504	1.4
151.11163	10.5
159.11633	0.9
161.04799	1.8
161.09631	2.3
161.13268	10.5
163.14900	3.9
165.06905	0.7
165.09172	1.0
165.12813	4.4
171.11728	1.1
179.05827	2.8
184.06393	2.5
189.09120	1.8
189.12912	4.0
189.16374	27.6
190.16812	0.9
192.09328	4.0
202.07498	1.7
207.06418	1.3
207.08325	1.4
207.10074	3.7
207.11745	5.7
207.13812	8.5
207.17429	93.5
208.17732	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1742
Annotation	beta-Irone
Peak:m/z	Relative Intensity
55.01864	1.7
55.05505	7.3
56.96556	6.1
57.03416	0.9
57.07054	3.7
57.55855	0.9
65.03917	1.1
67.05502	12.0
69.03432	4.0
69.06715	1.3
69.07063	14.7
70.94962	2.6
71.04994	1.9
79.05482	8.4
81.07056	22.9
83.04977	21.1
83.08604	3.3
85.02881	1.1
85.06533	1.9
87.99807	0.8
91.05474	13.7
93.06465	1.5
93.07031	16.7
93.88826	0.8
95.04967	4.7
95.08598	28.1
96.56288	0.8
97.06519	5.9
97.10152	1.2
101.06031	0.8
105.06302	1.1
105.07024	22.0
107.04925	1.3
107.08581	19.0
108.08933	1.0
109.06514	8.0
109.10149	9.1
111.08072	3.2
111.11666	1.1
115.96461	0.8
117.07037	2.6
119.04929	1.6
119.08576	19.1
120.08063	2.0
121.06516	1.9
121.10143	10.3
123.08062	89.1
123.11681	6.8
124.08349	1.6
125.09641	2.1
128.05003	1.0
131.08591	1.8
132.04398	1.0
133.06429	0.9
133.10129	24.5
133.97505	1.1
135.11690	5.1
137.06007	1.1
137.09592	7.2
137.13251	6.3
143.08458	1.0
145.10101	2.0
147.04369	1.9
147.08009	2.7
147.11688	18.2
149.09628	5.0
149.13272	8.0
151.07616	2.0
151.11165	10.1
156.09264	1.1
158.05933	1.0
161.06538	1.5
161.09601	2.6
161.13251	11.8
162.09113	0.9
163.07025	1.9
163.11150	1.8
163.14777	4.1
165.12711	5.4
166.08328	1.3
171.11638	1.8
172.07451	1.4
174.57817	1.3
175.02760	2.9
175.08812	2.3
175.58899	1.0
179.07602	6.9
184.08131	3.8
184.09409	3.2
186.59578	1.6
189.09138	1.8
189.12717	4.7
189.16377	22.7
192.09338	1.7
193.03889	2.4
193.09863	4.7
195.60165	1.6
198.04321	1.2
202.09180	6.0
203.09373	0.9
204.60721	1.6
207.02916	1.5
207.06490	2.7
207.09946	9.2
207.11734	3.2
207.13817	13.3
207.17429	100.0
208.17760	2.7
220.30022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03954	0.9
55.01866	1.1
55.05511	3.0
55.60128	0.4
56.96552	0.5
57.07077	1.7
59.04990	1.1
63.33818	0.4
65.07717	0.4
67.05509	5.7
69.03423	3.1
69.07054	2.2
71.04986	1.9
71.16551	0.9
71.16882	0.6
72.98773	0.5
79.05495	4.4
81.06577	0.8
81.07060	15.3
83.04992	1.7
83.08598	0.7
85.02908	100.0
85.06533	1.8
91.05481	10.2
93.07053	6.4
95.04963	3.2
95.08605	6.2
97.06517	0.6
98.97589	0.9
99.04455	0.5
103.05486	0.9
105.07034	19.2
107.04939	1.2
107.08591	8.6
109.06527	5.8
109.10164	12.9
111.04453	1.1
111.08086	0.7
115.05474	1.2
116.98647	0.5
117.07008	2.3
119.04945	2.1
119.08586	23.5
121.06535	2.3
121.10152	12.0
123.04402	0.6
123.08086	5.5
123.11712	57.2
125.05994	8.8
128.06192	1.1
129.06992	2.0
130.07794	1.5
131.08586	5.5
133.06483	2.4
133.10133	4.6
135.08113	1.0
136.05247	0.7
137.05983	1.4
137.09608	1.5
139.07516	1.0
141.05498	1.3
141.06984	1.1
142.07802	0.5
143.08591	4.0
145.06517	0.5
145.10132	9.9
146.07280	0.8
146.10840	0.8
147.04402	2.8
147.08055	10.3
147.09192	0.7
147.11690	24.4
149.02348	0.7
149.09622	11.8
151.07565	5.7
156.09370	3.9
159.08029	1.5
160.08792	0.6
161.01309	0.8
161.05984	2.0
161.09641	4.5
161.13264	3.0
163.10001	0.5
163.11171	2.7
165.09091	1.2
165.12756	2.9
169.08623	1.5
171.11684	3.7
174.10411	1.6
175.03851	1.1
177.00729	0.6
179.07034	1.3
189.09131	3.5
189.12749	13.1
192.04196	0.6
207.06537	3.2
207.10493	5.6
207.13817	50.1
208.14183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.05355	0.8
50.30982	1.1
55.05504	1.3
57.07058	1.3
61.42965	0.9
62.12157	1.1
67.05489	3.5
69.03439	1.6
69.07055	1.7
71.04980	1.4
71.16618	2.1
79.05477	3.9
81.07066	13.7
85.02908	100.0
85.06532	1.4
86.17143	1.1
86.77674	1.1
91.05489	7.1
93.07076	4.7
95.04949	1.2
95.08614	3.8
98.21362	1.1
105.07029	17.9
107.08602	8.2
109.06516	6.9
109.10160	12.7
117.07059	2.6
119.08579	16.1
121.06524	2.1
121.10134	10.0
123.08098	5.4
123.11714	54.8
125.05999	6.8
128.06154	1.0
129.07117	1.2
130.07788	1.7
131.08577	4.0
133.10158	2.8
139.07507	1.3
141.06978	1.7
143.08556	1.9
145.10136	8.8
147.08054	6.3
147.10628	1.9
147.11697	18.2
149.09624	13.3
151.07544	4.6
156.09357	2.5
159.11630	1.5
161.09586	2.2
161.13252	2.9
163.11136	2.4
165.12781	3.2
171.11688	3.5
174.10445	2.5
189.12737	13.4
207.06558	2.5
207.10271	2.7
207.13823	48.2
208.14272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.28797	0.6
53.03939	1.1
55.01871	1.1
55.05510	7.3
56.25960	0.5
57.07067	1.2
65.03933	1.2
66.07217	0.5
67.05502	10.6
69.03426	1.0
69.07070	14.7
69.40517	1.1
69.40926	4.7
70.52959	0.5
71.04987	2.3
71.99151	0.6
79.05496	10.9
81.03414	0.8
81.07057	17.0
83.04984	4.5
83.08620	3.6
85.02904	0.8
85.06558	0.7
91.05482	18.5
93.06471	0.9
93.07047	17.2
94.07343	0.7
95.04972	3.6
95.08611	15.1
96.08907	0.8
96.43361	0.5
97.06532	1.6
103.05478	1.5
105.07030	47.5
106.07343	1.5
107.04932	1.7
107.08597	35.4
108.08814	0.9
109.06524	5.5
109.10146	5.4
111.04444	12.4
111.08086	0.7
113.05995	0.7
117.07013	2.8
119.04942	2.1
119.08580	36.9
120.08889	1.2
121.06499	1.7
121.09296	0.7
121.10136	12.4
123.04403	1.2
123.08062	11.3
123.11690	2.0
125.05989	1.4
128.06195	0.8
129.07001	2.1
131.08556	2.3
133.06479	7.1
133.09146	0.4
133.10130	11.1
135.08089	1.0
135.11693	2.9
137.05966	6.9
137.09584	1.3
139.07544	2.6
143.08572	3.1
145.06430	0.7
145.10126	10.3
147.04433	0.8
147.08055	6.3
147.11690	100.0
148.12030	1.7
149.09567	2.8
149.13232	1.2
149.72752	0.6
151.07547	11.1
151.11162	1.3
153.09081	0.9
156.09325	1.4
159.11678	1.7
161.04771	0.9
161.05959	0.9
161.09621	2.1
161.13268	34.2
163.11200	1.2
163.14832	1.9
165.09099	3.0
165.12782	2.0
171.11719	4.4
179.05840	2.5
179.14331	1.7
184.06458	1.3
189.09119	1.5
189.12843	27.6
189.16365	3.4
192.09360	1.7
194.81218	0.6
202.07385	1.4
207.06493	2.3
207.08252	1.2
207.10048	2.0
207.11743	2.8
207.13808	49.4
207.17245	6.6
210.74634	0.7
215.86559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	1.5
55.01870	2.0
55.05512	6.3
56.56012	0.6
56.96573	1.5
57.03429	1.4
57.07074	4.4
59.04996	2.1
62.97475	0.7
65.03928	1.8
67.05503	28.7
69.03418	6.7
69.07059	4.0
70.28119	2.5
71.04980	2.6
77.77261	0.6
79.05480	7.4
81.03407	2.0
81.07058	8.7
83.04974	5.2
83.08613	1.9
85.02908	4.4
85.06541	10.8
88.22169	0.8
91.05481	16.8
91.06015	1.5
93.07037	15.8
95.04959	7.1
95.08602	100.0
96.08947	0.8
97.02879	1.7
97.06512	1.4
98.20856	0.9
98.97571	2.2
103.05445	2.1
105.03398	1.7
105.07030	22.8
107.04939	2.8
107.08598	18.8
109.02843	0.7
109.06510	5.8
109.10154	4.9
111.04417	1.3
111.08054	1.7
113.05997	5.9
115.05445	1.6
116.98602	1.5
117.07001	3.0
119.01941	1.0
119.04949	2.7
119.08580	31.1
120.08120	1.4
121.06520	5.3
121.10143	13.3
123.04439	2.0
123.08065	51.5
123.11691	5.5
125.05962	1.7
128.06204	2.9
129.06978	2.5
131.08562	6.2
133.06496	3.5
133.10120	9.1
135.08061	2.9
135.11674	6.9
137.05948	2.0
137.09605	5.6
137.13258	1.3
139.07510	1.1
143.08545	5.7
145.06427	1.9
145.10146	3.1
146.03596	1.2
146.07288	0.9
147.04349	1.7
147.08044	12.7
147.11679	13.0
148.05147	0.9
149.05870	1.4
149.09613	40.6
151.07539	3.5
151.11133	1.1
151.14825	3.9
156.09311	2.6
159.08069	1.6
159.11581	0.7
161.02983	1.8
161.05986	18.7
161.09615	10.8
161.13257	15.0
163.07545	1.3
163.11166	3.2
164.04665	0.9
165.09120	2.7
165.12741	10.7
171.11670	3.2
174.06836	1.0
174.10371	3.3
179.06950	1.1
179.10681	1.6
179.14320	2.7
189.09093	9.6
189.12733	19.4
189.16406	0.8
192.04050	1.1
207.06487	4.6
207.10179	14.0
207.13782	29.9
207.17352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03943	4.4
55.01871	1.7
55.05507	9.7
56.96576	1.0
57.03423	1.4
57.07065	2.0
59.05000	1.0
65.03931	1.9
67.05502	29.7
69.03419	2.3
69.07066	11.7
70.99673	1.6
71.00050	1.4
71.04991	5.0
73.06564	1.6
77.03907	0.8
79.05489	43.8
81.03407	2.2
81.07056	26.7
83.04968	4.9
83.08625	4.3
85.02901	1.3
85.06532	2.9
91.04902	1.3
91.05476	48.3
93.07039	100.0
94.07380	0.8
95.02768	0.6
95.04964	16.7
95.08600	19.6
97.02865	0.9
97.06537	4.3
97.10162	1.9
99.08053	0.9
103.05437	1.3
105.04504	2.1
105.07025	38.7
107.04947	2.5
107.08588	34.2
108.37383	0.7
109.06526	8.1
109.10141	5.8
111.04400	1.2
111.08082	2.8
111.11698	0.7
112.79822	0.6
113.06029	1.3
115.05396	0.9
115.96476	0.6
117.06998	4.4
119.04933	2.4
119.08573	53.7
120.08850	1.0
121.06477	2.6
121.10134	10.8
123.04435	1.1
123.08067	17.6
123.11685	2.5
125.05971	1.5
125.09617	2.0
127.07558	1.6
128.06197	1.2
129.06999	8.2
131.08539	2.4
133.06454	2.6
133.10126	16.6
133.97415	1.0
135.08072	1.0
135.11676	3.9
137.09584	4.7
137.13242	1.2
139.07581	1.0
143.08551	5.4
145.10126	9.4
147.04408	1.7
147.08087	4.6
147.11681	63.1
148.11966	1.0
149.09607	3.5
149.13223	1.6
151.07536	5.9
151.11121	1.2
156.09299	2.5
159.11693	2.5
161.01154	1.0
161.09645	6.1
161.13248	76.8
162.13591	1.3
163.11125	1.8
163.14880	1.6
165.09100	2.4
165.12714	2.1
171.11679	24.5
175.03949	0.8
178.07721	0.8
179.14336	3.5
184.09315	1.6
189.05460	1.0
189.09106	1.3
189.12752	27.4
189.16345	5.1
192.09326	1.1
207.06483	5.3
207.08226	1.6
207.10059	2.2
207.11871	2.3
207.13785	55.4
207.17392	13.2
208.14140	1.4
222.60286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87705	0.6
53.03955	0.9
55.01876	0.7
55.05514	5.4
56.96569	2.6
57.03432	0.6
57.07074	0.8
57.37971	0.6
58.15862	0.5
59.05008	1.3
65.03939	0.9
67.05509	6.5
69.03436	1.3
69.07066	9.0
69.54757	3.6
69.55172	1.2
70.65935	0.6
71.04999	4.1
79.05501	9.0
81.07063	9.0
83.04984	2.2
83.08611	2.1
85.02935	0.9
87.04465	0.6
91.05487	10.9
93.07052	18.2
95.04976	2.5
95.08049	0.9
95.08617	11.3
96.08955	0.6
97.06532	1.3
99.04432	0.8
105.07032	32.5
107.08600	40.0
108.09460	0.7
109.06530	3.3
109.10153	2.7
111.04434	3.9
111.08056	2.7
113.05999	1.0
115.05402	0.7
117.07011	1.7
119.04956	0.9
119.08583	72.4
120.08977	0.7
121.06561	0.9
121.10143	9.6
123.04438	0.8
123.08076	5.0
123.11691	1.2
125.05977	0.9
129.07011	0.7
131.08575	1.9
133.06488	3.0
133.10133	15.3
135.11681	1.3
137.05977	2.7
137.09645	1.7
139.07574	1.3
143.00212	1.4
143.08543	1.0
145.10126	4.2
146.10866	0.8
147.04390	0.6
147.08069	3.6
147.11694	40.9
149.09665	1.5
151.07542	5.1
153.09111	0.8
156.09338	1.4
159.11702	2.9
161.01227	10.4
161.09641	1.9
161.13261	100.0
162.13591	2.0
163.14870	1.0
165.09177	1.1
165.12711	1.2
166.01794	0.6
171.11676	4.2
174.10385	0.6
179.02257	5.8
179.14334	3.4
184.02821	2.6
189.12769	20.6
189.16368	1.9
192.09377	0.8
202.03882	0.8
207.06538	1.9
207.10040	1.1
207.11986	1.2
207.13811	33.6
207.17270	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	207.1381
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
53.03961	1.1
55.01875	0.5
55.05514	5.6
57.03450	0.4
57.07094	0.9
59.05009	1.1
65.03945	0.5
67.05505	6.0
69.03432	3.5
69.07069	10.0
69.45609	3.8
71.04985	3.4
79.05495	8.5
79.05952	0.4
81.03412	2.4
81.07056	11.5
81.07519	0.7
83.04993	1.9
83.08619	2.2
85.06570	1.2
87.04466	0.9
91.05483	11.9
93.07047	19.8
95.04977	3.8
95.08604	14.4
96.23651	0.4
97.02903	0.5
97.06526	1.7
97.10175	0.5
98.20712	0.7
99.08096	0.6
101.06033	0.5
105.07033	31.4
107.04974	1.0
107.08598	35.0
109.06516	3.7
109.10165	7.2
109.10912	0.5
111.04474	0.9
111.08080	3.0
113.06001	0.9
117.07026	2.1
119.08584	73.1
120.08893	0.9
121.06524	2.4
121.10147	11.4
123.04428	0.5
123.08089	4.5
123.11699	2.9
125.06003	0.9
125.09650	2.4
128.06229	0.9
130.07793	0.6
131.08542	2.0
133.06502	1.6
133.10133	20.7
135.08067	1.3
135.11702	4.2
137.05983	1.8
137.09621	4.0
137.13251	0.6
139.07494	0.5
143.08543	1.9
145.10123	4.3
145.32083	0.4
146.10852	0.5
147.04424	0.5
147.08055	6.0
147.11693	31.4
149.05965	0.6
149.09605	1.7
149.13272	2.8
151.07541	4.3
151.11194	5.9
156.09344	1.6
159.11662	2.7
161.09644	7.5
161.13257	100.0
162.13597	1.5
163.11176	1.6
163.14835	2.9
165.06960	0.5
165.09148	2.7
165.12752	1.2
171.11720	3.2
174.10374	0.4
179.10651	1.3
179.14311	2.7
189.09129	2.8
189.12769	15.2
189.16373	8.2
191.08566	0.5
192.09290	2.8
207.06468	1.4
207.10085	4.8
207.11740	4.6
207.13777	29.8
207.17415	20.6
208.17690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
53.03950	1.3
55.01867	1.0
55.05260	0.8
55.05513	8.4
56.96322	0.6
56.96566	6.3
57.03431	0.8
57.07079	2.5
59.05001	0.6
60.59635	0.4
61.86764	0.4
65.03914	0.7
67.05508	8.9
69.03433	2.2
69.07070	14.6
71.04990	3.0
71.61537	0.8
71.61920	0.5
71.95243	0.6
79.05492	10.1
79.52320	0.5
81.03420	0.9
81.07056	17.2
81.58779	0.5
83.04982	10.4
83.08624	3.4
85.06534	1.3
87.04477	0.6
91.05481	15.0
93.07049	24.6
95.04979	5.0
95.08608	22.3
97.06531	3.3
97.10176	1.5
97.20140	0.4
99.04449	0.4
105.07034	31.7
107.04948	1.2
107.08597	40.5
108.09433	0.6
109.06518	5.8
109.10157	6.5
111.04446	0.5
111.08076	4.4
111.11723	0.9
113.06041	1.0
115.05420	0.6
115.96422	0.7
117.07019	1.4
119.04944	1.1
119.08585	57.1
120.08976	0.8
120.27172	0.5
121.06495	1.3
121.10151	11.8
123.08072	100.0
123.11680	3.6
124.08376	0.8
125.05997	0.9
125.09633	1.8
128.04909	0.6
128.06232	0.7
129.06964	0.5
131.08595	2.6
132.09361	0.7
133.06508	1.8
133.10133	24.8
133.97435	0.6
135.08069	1.1
135.11696	5.0
137.06023	0.9
137.09610	2.8
137.13260	4.2
139.07471	0.6
139.55682	0.5
141.04938	0.5
143.08549	1.2
143.55177	0.6
145.10121	3.5
146.03651	1.5
146.10878	0.7
147.04384	0.5
147.08038	3.2
147.11696	24.0
148.56255	0.9
149.09618	2.4
149.13266	4.9
151.07610	3.4
151.11169	7.7
153.09088	0.6
154.06497	0.7
156.09291	1.2
157.56824	0.5
159.11678	2.6
161.01222	0.8
161.09644	1.6
161.13264	80.3
162.13596	1.2
163.06984	1.1
163.11169	0.8
163.14818	3.0
165.09154	1.4
165.12744	2.9
171.11693	3.1
175.02805	3.1
175.08804	2.0
175.59074	0.7
179.05872	1.0
179.14346	1.9
184.06509	0.8
184.09346	2.9
184.59644	0.6
186.59709	1.1
189.09114	1.4
189.12773	13.6
189.16388	17.1
192.09381	1.2
193.03836	3.0
193.09932	4.3
193.60074	0.8
195.60155	1.0
196.10294	0.6
198.04425	0.6
204.60695	1.0
207.02934	0.6
207.06517	5.2
207.08325	0.8
207.10196	1.7
207.11868	2.0
207.13846	25.9
207.17441	54.8
208.17851	1.3
216.05602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
53.03950	1.6
53.44634	1.0
55.05511	10.1
56.96555	5.1
57.03434	1.3
57.07059	2.9
59.05000	1.2
60.51651	1.2
63.51167	1.0
65.03931	2.2
67.05500	12.6
69.03433	5.4
69.07067	15.1
71.04990	5.4
71.59698	1.7
79.05502	15.1
81.07063	22.4
83.04978	4.1
83.08630	6.5
85.02889	3.3
85.06547	1.8
91.05479	25.3
93.07048	29.4
95.04993	6.4
95.08056	1.5
95.08610	23.2
97.06519	3.7
99.04430	1.5
103.05479	1.3
105.07040	57.2
107.04981	1.6
107.08601	52.6
109.06526	9.6
109.10159	12.1
111.04438	4.4
111.08079	5.4
115.96447	2.4
116.97235	1.2
117.07020	4.7
119.04913	4.2
119.08586	82.7
119.18891	1.1
120.08912	2.0
121.06524	3.2
121.09347	1.5
121.10154	19.4
123.04381	2.7
123.08071	14.2
123.11691	5.0
125.05977	2.1
125.09628	1.6
128.06236	1.6
129.07005	2.2
131.08563	3.9
133.06500	7.6
133.10138	28.5
133.97418	1.5
135.11697	6.0
137.05971	6.5
137.09589	4.1
137.13286	1.7
139.07507	1.9
142.03474	1.6
143.08505	3.3
145.10112	8.4
146.03593	3.2
147.08038	11.8
147.11697	80.1
148.08858	1.2
149.09630	7.7
149.13255	3.9
151.07564	14.8
151.11177	4.1
156.09348	3.1
159.11679	3.1
161.01270	6.5
161.05988	1.9
161.09607	5.8
161.13263	100.0
162.13574	1.7
163.11156	2.0
163.14879	3.8
164.04747	1.6
164.07735	2.3
165.09085	5.1
165.12772	5.3
171.11665	7.0
174.10385	1.3
175.58521	2.0
179.02242	2.5
179.14310	3.7
189.09058	4.4
189.12831	33.1
189.16376	16.0
192.04184	2.5
192.09329	5.8
207.02792	2.6
207.06566	12.0
207.08302	2.6
207.10092	8.6
207.11780	4.9
207.13799	67.1
207.17383	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	207.1381
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
51.02387	0.3
51.57248	0.4
53.03948	0.4
53.64960	0.3
55.05510	4.7
57.07062	0.7
59.05003	0.6
65.03943	0.7
67.05506	3.4
68.30080	0.4
69.03434	1.5
69.07070	6.9
69.63936	1.5
69.64365	1.0
71.04996	5.2
79.05502	7.2
81.07063	5.5
83.04990	0.9
83.08625	1.0
85.06528	0.4
87.04489	0.6
91.05483	10.0
93.07047	18.7
95.04979	2.2
95.08051	0.6
95.08617	7.5
97.06552	0.9
98.20747	0.7
103.05480	0.5
105.07035	28.9
107.08598	35.2
108.09398	1.0
109.06533	2.2
109.10160	1.3
110.16117	0.3
111.08089	3.0
113.06005	1.2
117.07021	1.4
119.08586	67.7
120.08906	0.9
121.06504	1.1
121.10152	7.2
123.08087	1.5
123.11753	0.4
131.08591	1.4
133.06509	0.8
133.10135	13.4
135.08098	0.3
135.11684	1.2
137.06001	0.9
137.09650	0.6
137.70148	0.4
139.07489	0.5
143.08568	0.8
145.10124	2.4
146.10896	1.3
147.08080	2.6
147.11693	23.3
151.07561	3.0
156.09381	1.2
159.11700	3.5
161.13260	100.0
162.13606	1.2
163.14807	1.3
165.09198	0.6
171.11728	2.8
174.10350	0.5
179.14278	2.9
179.66864	0.4
189.12756	15.9
189.16347	0.7
203.75819	0.4
207.13808	26.3
207.17426	1.2
208.14040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
53.03941	0.7
55.05516	5.2
65.03947	0.5
66.58843	0.4
67.05497	3.0
69.03436	0.9
69.07070	6.1
71.04996	4.6
71.37347	0.6
71.37661	0.7
79.05499	6.6
81.07060	6.7
83.08615	1.1
85.06522	0.9
87.04453	0.8
91.05477	8.9
93.06464	1.0
93.07046	16.7
95.04966	1.9
95.08603	6.5
97.06545	1.1
105.07034	26.8
106.07379	0.5
107.08601	36.0
108.09383	0.9
109.06520	2.7
109.10166	1.8
111.08070	2.5
112.37231	0.5
113.05993	1.3
117.07002	1.1
119.08585	67.3
121.06492	0.8
121.10150	7.5
123.08078	1.0
125.06001	0.7
125.35575	0.5
131.08560	1.2
133.06490	0.9
133.10133	12.4
134.10429	0.5
135.11697	1.1
137.05997	1.1
137.09624	0.6
137.13245	0.7
139.07591	0.6
145.10121	1.7
146.10846	0.9
147.08017	2.3
147.11694	25.0
151.07520	2.8
156.09357	1.2
159.11690	3.0
161.13261	100.0
162.13614	1.7
163.14783	0.6
165.09166	0.9
168.28316	0.5
171.11723	3.5
175.93811	0.5
179.14383	2.5
189.12752	16.8
196.47011	0.4
207.13821	26.2
212.03383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.48964	0.7
53.03935	0.9
55.01858	2.0
55.05498	3.1
56.96565	1.0
59.04990	2.2
59.25049	0.7
59.47155	0.8
65.03930	1.5
67.05507	8.7
68.04068	0.6
68.99773	0.7
69.03429	14.7
69.07049	2.9
71.04989	57.3
79.05488	5.6
81.03402	1.5
81.07047	10.2
83.04990	6.3
83.08598	1.4
85.02887	4.2
85.06528	3.1
86.04636	0.7
91.05481	15.2
93.03368	1.2
93.07052	7.8
95.04970	11.9
95.08604	8.7
97.06524	2.1
98.21493	2.3
99.04457	0.9
103.05466	2.0
105.03407	1.0
105.07016	13.9
107.04934	2.9
107.08588	9.5
108.05721	2.4
109.06512	19.9
109.10152	8.3
110.07292	2.2
111.08056	2.3
115.05434	1.0
117.07002	1.5
118.04135	1.7
119.04947	12.5
119.08578	20.4
120.39641	0.9
121.02861	1.7
121.06501	6.4
121.09363	1.0
121.10126	6.8
122.07297	6.4
123.04446	6.5
123.08073	17.0
123.11695	3.9
125.09667	3.9
128.06253	1.1
129.06992	1.0
131.08545	1.5
133.06462	4.2
133.10123	9.2
135.08061	1.9
135.11691	1.4
136.05188	5.7
137.05994	3.8
137.09608	100.0
138.10051	0.9
143.08530	2.4
145.10147	2.2
146.03667	4.9
146.07196	1.0
147.04405	9.2
147.08049	10.8
147.11693	10.4
149.02341	10.2
149.05962	2.1
149.09610	17.1
151.07533	11.8
156.09250	1.9
161.06009	1.7
161.09615	7.1
161.13243	5.6
163.03920	2.8
163.11192	3.5
164.04703	16.6
165.05270	0.9
165.09152	2.7
165.12738	11.6
171.11653	3.0
172.48090	0.8
174.03140	4.6
174.10394	1.3
175.03961	0.9
177.01802	0.9
177.05452	1.4
179.07037	15.7
179.10677	1.6
179.14204	0.8
189.09126	3.5
189.12688	4.4
189.16313	1.7
191.03282	1.2
192.04137	6.2
207.06519	48.4
207.10042	8.5
207.13785	29.1
207.17404	2.0
208.06952	1.2
229.26167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.35004	0.8
50.50488	0.8
50.84365	1.0
50.95956	0.9
51.02355	1.3
53.03949	7.0
55.01863	1.8
55.05311	0.9
55.05511	10.2
56.96544	1.3
57.03434	1.3
61.62777	0.9
65.03930	1.8
67.05501	33.1
69.07069	6.9
69.95942	2.0
69.96362	3.5
71.04990	1.9
73.06546	1.3
75.08726	1.1
79.05490	53.9
81.03423	2.5
81.07053	24.5
83.04966	4.3
83.08595	3.4
85.06538	4.1
91.04897	1.5
91.05477	51.5
93.07042	100.0
93.41962	0.9
95.04966	19.3
95.08601	11.6
96.66223	1.0
97.06554	2.3
97.10147	1.5
105.04514	2.9
105.07026	32.1
106.07288	1.1
107.04945	1.4
107.08590	15.5
109.06525	4.7
117.07013	5.1
117.96555	1.1
119.04933	2.1
119.08571	15.6
121.06499	1.6
121.10114	3.4
123.08019	5.7
127.07559	2.1
128.06184	1.0
129.06992	9.5
131.08615	1.2
133.10117	7.1
135.11665	1.4
143.08574	5.6
145.10117	10.2
147.04381	2.2
147.08057	3.2
147.11682	49.9
148.11919	1.4
149.09593	1.1
151.07515	1.4
161.09618	7.2
161.13252	13.1
164.04655	1.6
165.38390	1.0
171.11676	27.5
179.06969	1.2
189.12746	14.5
189.16350	1.8
192.04131	2.1
207.06508	7.9
207.10063	1.5
207.13800	36.9
207.15741	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
53.03946	1.3
55.01874	5.7
55.05304	0.9
55.05511	10.2
57.03437	2.7
61.79608	1.0
65.03946	2.4
67.05508	9.9
69.03434	14.1
69.07082	1.4
70.84512	2.8
71.04987	3.9
77.94987	1.0
79.05500	15.7
81.03422	1.4
81.07038	5.7
83.04976	3.8
85.02882	1.8
87.49417	1.0
91.05485	58.9
93.07043	10.7
95.04963	7.6
95.08620	5.0
97.06526	2.2
98.97621	2.1
99.04462	2.4
103.05466	3.5
104.06242	1.1
105.07032	60.2
107.04957	9.3
107.08596	10.7
109.02901	1.1
109.06512	3.3
109.10133	2.9
111.04388	1.2
115.05458	3.4
116.98568	1.6
117.07011	10.9
119.04940	12.4
119.08584	95.2
121.06524	6.0
121.07227	1.1
121.10157	4.4
123.04419	6.8
123.08066	11.8
123.11713	1.3
125.05987	4.1
128.06235	10.9
129.07001	18.1
130.07776	2.0
131.08562	5.6
132.05701	1.0
133.06520	6.3
133.10132	45.8
135.08063	5.1
135.11684	1.7
137.05957	3.3
137.09639	10.4
141.05370	1.6
143.08563	40.3
143.09698	2.0
145.06502	3.2
145.10098	8.1
146.07248	1.7
147.04410	5.4
147.08047	93.5
147.11691	7.3
148.08691	1.1
149.09633	4.7
151.07468	2.4
153.05522	1.8
156.09372	2.2
158.99687	1.2
159.11681	1.8
161.05943	3.9
161.09628	49.9
161.13258	3.5
163.07506	1.6
163.11156	3.7
165.05489	7.6
165.09120	14.7
165.12762	1.1
171.04362	1.2
171.08054	2.8
171.11679	2.9
175.03954	1.5
177.00729	2.1
177.12750	0.9
179.07053	1.6
179.10672	12.0
189.05444	1.7
189.09103	21.3
189.12730	8.0
203.02345	1.1
207.06555	4.5
207.10172	100.0
207.13602	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	207.1381
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
55.05516	4.6
57.07085	0.8
59.04987	0.8
64.18584	0.7
65.03925	0.8
67.05508	3.2
69.03429	1.9
69.07076	6.4
69.39553	2.7
69.39980	4.0
71.05008	4.7
79.05499	6.4
81.07067	7.2
83.05012	1.2
83.08608	2.1
85.06544	1.3
91.05476	10.0
93.06470	1.1
93.07044	17.1
95.04952	1.8
95.08614	8.3
103.26733	0.7
104.44730	0.8
105.07031	26.1
107.08598	35.7
109.06506	3.4
109.10142	2.3
111.08077	2.7
113.06021	1.7
117.06992	1.6
119.08586	68.5
119.67269	0.7
121.06461	1.3
121.10152	8.8
123.08079	3.4
123.11735	1.2
131.08562	2.0
133.06540	1.1
133.10129	12.8
135.11723	1.8
137.06001	1.5
137.09642	1.2
143.08607	0.9
145.10190	2.0
146.10980	0.7
147.08067	3.8
147.11700	27.2
149.09651	1.8
149.13214	0.8
151.07527	4.1
156.09340	1.7
159.11688	3.0
161.13261	100.0
162.13548	1.4
163.14810	1.5
165.09201	1.1
165.12762	1.3
171.11644	3.6
179.14337	3.9
189.12764	21.2
189.16388	1.6
202.07442	0.8
207.06570	1.3
207.09998	1.3
207.13811	33.1
207.17242	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	207.1017
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
53.03946	1.7
55.01856	6.2
55.05511	11.0
56.96560	1.3
57.03434	3.1
63.44632	1.3
67.05511	12.3
69.03436	12.7
69.07059	3.7
70.06036	3.4
70.06477	5.1
71.04980	4.3
79.05499	13.9
81.03406	3.8
81.07051	7.0
83.04971	4.3
84.08150	3.2
84.82615	1.5
85.02900	2.1
87.81287	1.4
88.79914	1.3
90.24345	1.3
91.05486	53.5
93.07059	11.3
95.04957	7.3
95.08632	7.1
97.06484	1.9
98.97578	1.6
100.46471	1.2
103.05446	4.1
105.03422	1.7
105.07038	52.0
107.04954	10.5
107.08601	9.6
109.06521	3.6
109.10152	4.4
111.04430	2.1
115.05488	2.8
117.07019	10.6
119.04952	12.4
119.08586	100.0
121.06497	5.1
121.10130	3.8
123.04421	8.0
123.08109	8.7
123.11712	1.9
125.06004	3.5
125.07005	1.2
128.06227	11.9
129.07008	22.3
131.08533	4.4
133.06548	7.6
133.10133	39.5
135.08067	2.4
135.11673	1.5
137.05936	2.9
137.09586	8.8
143.00192	1.6
143.08568	41.1
145.06480	2.6
145.10143	6.7
146.07260	2.7
147.04385	5.5
147.08057	91.0
147.11694	4.5
149.09637	5.7
151.07581	2.9
161.01228	1.9
161.06013	2.9
161.09630	46.5
161.13252	3.7
163.07552	2.7
163.11166	3.6
165.05489	9.6
165.09119	14.7
165.12822	1.5
171.08015	2.7
171.11679	1.6
172.95262	2.4
179.10669	13.6
189.05537	1.6
189.09097	19.5
189.12747	3.0
207.06573	5.0
207.10175	94.2
207.13791	6.5
207.17384	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	207.1018
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
53.03938	0.7
55.01865	1.9
55.05511	2.3
56.96552	0.6
57.03438	0.7
64.12658	0.4
67.05502	3.0
68.58415	0.5
69.03428	3.4
69.07078	0.9
70.87756	0.6
70.88103	1.1
71.04996	1.3
79.05494	4.7
81.03411	1.2
81.07050	2.1
83.04971	1.4
85.02969	0.5
91.05485	15.0
93.06502	0.6
93.07043	4.0
95.04969	3.1
95.08594	1.7
97.06528	0.5
99.04391	0.5
103.05473	1.2
105.07031	19.6
107.04947	2.9
107.08598	2.6
109.06514	1.0
109.10152	0.9
115.05474	1.8
117.07032	4.4
119.04957	3.3
119.08584	29.4
121.06516	1.6
121.10107	1.3
123.04456	4.0
123.08089	3.5
125.06014	0.8
128.06232	6.8
129.07007	6.4
131.08511	1.3
133.06497	2.7
133.10130	12.5
134.99361	0.5
135.08043	0.8
136.05176	0.8
137.05971	1.1
137.09584	2.8
141.06987	0.7
143.08569	16.1
145.06494	2.6
145.10114	2.0
146.07246	1.4
147.04436	3.0
147.08054	28.6
147.11699	1.3
149.06049	0.7
149.09650	1.4
151.07530	0.9
153.06976	0.6
160.05211	1.4
161.01189	0.6
161.05983	1.9
161.09613	15.0
161.13225	1.2
163.07565	4.5
163.11189	0.9
165.05527	2.4
165.09123	4.7
165.12776	0.7
171.08049	2.2
173.06062	1.2
174.06758	3.9
175.03952	0.5
177.00896	0.5
179.07016	0.8
179.10709	2.9
179.12024	0.5
189.09111	17.9
189.12761	1.4
190.09644	0.6
207.10176	100.0
207.13683	3.0
208.06059	0.6
208.10545	0.8
210.42804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
53.03932	1.5
55.01875	3.6
55.05506	5.6
56.96574	7.2
57.03426	2.2
57.07069	1.8
60.04208	0.6
61.02920	0.8
65.03967	1.1
67.05512	11.1
67.73683	0.7
69.03120	0.9
69.03434	8.6
69.07063	2.9
70.06585	2.4
70.90996	1.6
71.05005	3.3
71.40938	0.6
73.02916	2.0
79.05494	9.9
81.03407	2.8
81.07053	7.2
83.04992	3.8
83.06124	0.7
84.08145	3.9
84.96040	0.9
85.02937	4.7
85.06526	1.0
91.05482	35.3
93.07047	8.3
95.04977	6.5
95.08607	9.0
97.02875	2.4
97.06530	1.6
98.97595	2.9
99.04444	1.5
101.02364	0.8
103.05449	3.4
105.07037	36.9
107.04968	8.2
107.08592	9.2
109.02899	1.5
109.06526	6.1
109.07655	1.4
109.10165	3.5
110.01250	0.8
111.04436	1.8
115.05470	3.3
116.07099	0.8
116.98637	2.2
117.07028	8.1
119.01817	2.5
119.04953	9.1
119.08590	50.5
120.08050	0.8
121.02858	0.9
121.06508	4.9
121.10139	5.4
123.04450	5.0
123.08063	9.5
123.11732	2.8
125.05989	1.8
127.03930	12.5
128.02328	1.7
128.06226	8.9
129.07021	14.0
131.01814	0.8
131.04951	0.8
131.08554	4.7
132.05687	1.0
133.06503	6.8
133.10141	20.3
134.07135	0.7
134.99657	2.3
135.08038	2.6
136.05205	1.8
137.05960	2.9
137.09641	6.9
141.05362	1.1
141.07008	1.0
143.00191	3.1
143.04947	1.1
143.08569	25.9
143.09692	1.5
145.06461	5.0
145.10129	2.8
146.03639	1.0
146.07281	2.0
147.04417	17.8
147.08054	56.2
147.11685	7.1
148.04910	0.8
148.08635	2.4
149.02385	1.2
149.05963	1.1
149.09633	6.5
151.02893	0.8
151.03989	1.0
151.07501	4.6
151.11234	1.3
153.05624	0.8
153.06992	1.9
153.09026	0.8
156.09358	1.3
158.99666	1.4
159.08089	2.6
160.05258	4.1
161.01231	7.2
161.05020	0.5
161.06030	8.9
161.08284	1.4
161.09631	28.2
161.13263	6.1
163.07497	5.3
163.11183	3.0
164.04674	1.5
165.05551	3.2
165.09105	8.3
165.12799	3.3
171.04494	1.0
171.08012	5.4
171.11745	1.4
174.06769	3.3
175.03944	2.1
176.05153	5.0
177.00722	1.8
179.02235	1.7
179.07002	2.2
179.10634	6.3
182.99748	2.2
184.02834	1.1
185.01190	2.0
185.05717	5.6
187.55965	2.3
189.05476	2.2
189.09116	24.7
189.12756	7.9
189.16393	1.9
192.04172	1.7
201.00703	8.9
202.01118	0.8
203.02328	2.7
207.02878	2.4
207.06569	9.5
207.10190	100.0
207.13698	13.5
207.17152	3.2
208.10281	1.0
219.01761	4.4
224.02280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Narchinol A
Peak:m/z	Relative Intensity
53.03950	2.2
55.01866	4.1
55.05512	5.3
56.96561	3.8
57.07074	1.7
58.50099	0.7
59.05006	4.5
65.03944	2.1
67.05500	8.5
69.03429	14.0
69.07064	5.7
69.83195	2.2
69.83623	2.6
71.04991	3.1
77.03916	1.0
79.05490	13.6
81.03429	1.9
81.07059	15.3
83.04977	8.5
83.08618	2.0
85.02895	2.1
91.05479	32.0
93.07044	26.9
95.04972	9.8
95.08599	19.1
97.02892	2.3
97.06525	2.3
99.04475	1.9
103.05475	2.8
105.03368	1.5
105.07026	47.8
107.04950	8.1
107.08590	17.0
109.02852	1.2
109.06522	8.6
109.10150	6.0
110.07327	0.8
111.04421	1.8
113.05997	2.2
115.05486	1.4
117.07022	5.9
119.04935	4.2
119.08578	100.0
120.08915	1.1
121.06497	6.0
121.10142	8.9
123.04458	1.7
123.08064	21.0
123.11687	3.4
125.05963	1.0
125.09583	2.1
128.06223	4.5
129.06990	3.3
130.07791	1.6
131.08539	4.4
132.05667	1.1
133.06490	9.1
133.10126	68.1
133.97452	2.0
135.08018	2.2
135.11702	3.2
136.05144	1.2
137.06067	1.3
137.09615	7.1
137.13351	0.9
139.07515	1.0
143.08562	10.8
145.06474	2.6
145.10129	7.9
146.07253	2.5
147.04416	3.8
147.08040	80.2
147.11668	16.8
147.12782	1.2
148.08824	5.8
149.02327	1.5
149.05945	1.7
149.09618	5.8
149.13257	1.3
149.35950	0.9
150.02686	0.8
151.07503	3.5
151.11185	4.7
156.09418	0.9
161.01212	2.1
161.05995	1.5
161.09616	35.5
161.13242	7.0
163.07513	1.6
163.11169	5.6
164.04723	1.5
165.05476	1.1
165.09123	15.4
165.12706	2.8
171.08041	2.7
171.11688	4.0
174.03130	1.0
174.10388	0.7
179.07039	3.0
179.10652	8.0
179.14207	1.1
184.09344	2.2
189.09097	26.5
189.12732	9.4
189.16449	3.9
192.04155	1.5
207.06566	10.0
207.10147	75.8
207.13660	16.9
207.17471	11.1
208.10593	0.7
225.11295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Narchinol A
Peak:m/z	Relative Intensity
50.64773	1.0
51.02380	0.9
51.63356	1.1
53.03932	1.7
53.58098	1.1
54.35349	0.9
55.01862	3.5
55.05507	7.0
56.96564	2.9
57.03431	1.1
57.07077	2.5
59.78688	1.2
65.03947	1.4
67.05507	15.8
69.03078	1.7
69.03433	21.3
69.07059	5.5
71.04975	2.2
71.61944	1.3
79.05488	10.9
81.03413	2.6
81.07056	18.9
83.04965	4.7
85.02904	2.5
87.40286	1.0
91.05485	33.1
93.07048	23.7
95.04970	12.1
95.08051	1.9
95.08612	28.7
97.02876	2.4
97.06506	1.9
100.54765	1.0
103.05464	2.3
105.03396	3.2
105.07033	56.4
107.04943	5.1
107.08600	23.0
109.06522	10.5
109.10161	13.0
111.04411	2.4
111.08063	2.0
115.05477	2.9
117.07020	9.2
119.04945	3.6
119.08585	91.4
120.08873	1.5
121.06512	9.7
121.10164	10.8
123.04452	2.7
123.08073	38.2
123.11718	9.2
128.06239	7.1
129.07004	4.5
130.07790	2.8
131.08548	6.0
133.06512	5.9
133.10135	91.6
133.97446	1.3
135.08055	4.2
135.11679	5.6
137.05991	4.8
137.09616	11.7
139.07512	2.0
141.09088	2.3
143.08572	21.1
145.06476	4.0
145.10121	10.3
146.07271	4.1
147.04408	2.6
147.08057	51.8
147.11697	6.0
148.08742	2.3
149.05919	2.6
149.09627	4.7
149.13249	2.1
151.07559	4.1
151.11194	13.6
161.01216	2.8
161.09628	82.9
161.13252	6.0
163.07562	3.1
163.11189	7.0
164.04758	1.8
165.05417	1.7
165.09126	26.1
165.12717	2.4
171.08031	6.0
171.54016	1.2
174.06906	1.1
179.02202	1.3
179.07185	1.4
179.09059	2.3
179.10670	35.4
184.02873	1.2
189.09117	55.4
189.12733	4.2
189.16359	6.7
207.06529	7.8
207.10170	100.0
207.13791	12.8
207.17415	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	207.1017
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
55.01862	4.8
55.05521	11.2
56.96555	3.9
57.03425	2.2
57.07053	1.7
59.99709	1.7
65.03943	1.6
67.05501	13.8
68.04988	2.0
69.03429	14.4
69.07065	3.6
70.06574	2.7
71.04985	5.7
71.10487	4.5
71.75222	1.9
75.49236	1.6
79.05491	16.0
81.03406	3.0
81.07046	10.5
82.78736	1.8
83.04966	8.5
85.02909	5.7
91.05477	54.0
93.07038	12.7
95.04980	9.9
95.08607	10.0
97.06543	1.9
103.05441	5.1
104.17638	1.8
105.07028	53.8
105.14743	1.7
107.04958	10.1
107.08604	11.3
109.06530	6.1
109.10132	4.4
115.05430	3.8
117.07017	9.3
119.04925	13.4
119.08579	98.0
121.06477	5.5
121.10142	7.2
123.04427	9.0
123.08060	14.2
123.11702	3.5
125.05983	3.9
128.06239	9.3
129.05463	1.9
129.07021	19.9
131.08545	5.1
133.06485	7.7
133.10129	41.1
135.11633	2.6
137.05975	4.4
137.09605	12.8
143.00134	2.2
143.08553	39.4
145.06476	2.3
145.10120	7.4
146.07321	2.7
147.04341	9.3
147.08043	93.6
147.11674	8.7
148.08626	3.7
149.09607	7.1
151.07561	4.3
153.05452	2.8
161.01210	2.2
161.05977	3.5
161.09624	43.9
161.13231	3.7
163.03864	2.3
163.07591	2.7
163.11137	4.4
165.05519	10.6
165.09116	14.3
165.12770	3.4
171.11693	2.2
179.07115	3.3
179.10651	12.1
180.35774	1.9
189.09073	18.3
189.12756	6.0
207.02892	2.5
207.06667	9.6
207.10172	100.0
207.13820	16.1
207.17398	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	207.1016
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
50.67038	0.4
53.03938	1.2
53.60823	0.5
55.01870	2.5
55.05521	2.8
55.64120	0.5
56.96561	0.7
57.03437	0.9
59.04998	3.7
61.95245	0.5
63.90546	0.5
65.03933	1.3
67.05505	5.6
69.03432	14.4
69.07068	1.5
69.77879	3.8
71.04993	1.8
76.60777	0.5
77.03888	0.9
79.05495	9.3
81.03426	0.8
81.07057	8.2
83.04993	3.8
85.02909	1.4
91.05479	29.0
92.05779	0.6
92.81373	0.7
93.07043	13.4
95.04976	7.9
95.08602	8.4
97.02889	1.6
97.06562	0.7
99.04449	1.1
102.37123	0.6
103.05450	2.6
104.06214	0.6
105.03385	0.8
105.07031	39.9
107.04945	6.5
107.08595	10.6
108.05749	0.7
109.06521	5.2
109.10168	5.8
111.04450	1.0
111.08086	0.6
113.06008	1.3
115.05473	1.3
115.96434	0.9
117.07024	7.6
118.04167	0.6
119.04957	4.3
119.08582	100.0
120.05666	0.6
120.08876	0.8
121.02879	0.7
121.06510	6.3
121.10155	6.6
122.76067	0.6
123.04434	1.6
123.08074	10.9
123.11720	1.9
128.06219	3.9
129.07016	1.7
130.07777	1.3
131.08563	3.3
133.06499	8.6
133.10130	67.4
133.97443	0.9
135.08083	1.9
135.11678	3.4
136.05202	2.2
137.05978	1.7
137.09612	4.7
139.07562	1.6
143.08559	9.8
145.06500	2.0
145.10136	4.5
146.03625	1.8
146.07280	2.0
147.04428	3.5
147.08047	81.8
147.11723	3.5
148.08852	8.1
149.02325	3.7
149.05986	2.1
149.09598	1.8
151.07578	3.5
151.11168	3.6
159.08182	0.8
161.06007	1.6
161.09622	37.3
161.13226	2.0
163.03868	1.2
163.07564	1.6
163.11188	5.9
164.04710	6.5
165.05431	1.0
165.09120	13.6
165.12758	2.0
171.08055	2.3
174.03117	1.5
175.03854	0.7
179.07094	4.2
179.10686	9.8
189.09116	28.9
189.12711	1.9
189.16370	1.1
191.03366	0.6
192.04224	2.0
207.06631	14.6
207.10164	79.4
207.13774	5.5
207.17404	2.1
225.11340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Narchinol A
Peak:m/z	Relative Intensity
51.85859	0.5
53.03939	1.2
55.01867	4.2
55.05508	2.5
56.23174	0.6
56.96546	1.3
57.03427	1.1
57.07048	0.6
57.42614	0.5
59.04995	3.8
60.00849	0.4
63.79813	0.5
65.03937	1.7
67.05498	7.2
67.67233	0.5
68.99777	1.4
69.03071	1.0
69.03424	13.7
69.07059	2.3
71.04993	6.7
71.59628	0.7
77.03934	1.3
79.05489	10.0
81.03404	1.6
81.07053	7.8
83.04971	3.6
83.08618	0.7
85.02899	1.4
85.06532	1.2
87.04448	0.6
89.03900	0.7
91.05473	40.5
93.03385	1.4
93.07037	14.7
94.04148	0.6
95.04967	12.2
95.08600	8.3
97.02867	1.7
97.06494	1.2
98.03664	0.5
99.04443	1.9
103.05466	3.9
104.06279	0.8
105.03388	1.5
105.07024	40.1
106.04205	0.8
107.04952	8.4
107.08589	8.4
108.05737	1.7
109.06503	6.5
109.10138	5.0
110.07268	1.4
111.04449	1.4
111.08027	0.9
113.06007	1.9
115.05459	2.0
116.10583	0.5
117.07004	7.2
118.04171	2.1
118.07796	0.8
119.04939	18.0
119.08572	100.0
120.05723	0.5
120.08901	0.8
121.02844	1.4
121.06483	9.5
121.10136	6.5
122.07198	0.7
123.04423	3.8
123.08060	13.4
123.11694	1.7
125.09612	0.9
128.06198	4.9
129.06982	1.8
130.07809	2.1
131.04974	0.8
131.08556	4.1
132.05748	0.6
133.06491	10.0
133.10123	70.1
134.10492	0.7
135.04372	1.4
135.08058	2.1
135.11685	3.6
136.05180	5.6
137.05957	2.3
137.09610	11.1
137.10591	1.0
139.07500	0.7
141.06873	0.6
143.08554	12.1
145.06488	1.7
145.10104	5.2
146.03633	5.6
146.07291	2.3
147.04398	14.9
147.08035	80.6
147.11646	4.3
148.05067	0.8
148.08841	7.8
149.02338	14.4
149.03499	1.1
149.05978	4.2
149.09610	4.8
151.07523	11.5
151.11172	3.2
159.08087	0.7
161.06001	2.0
161.09605	40.0
161.13193	2.5
162.03166	0.6
163.03862	4.4
163.07545	1.2
163.11165	5.9
163.14732	0.7
164.03271	1.0
164.04683	20.9
165.05435	1.6
165.09109	14.8
165.12782	0.8
171.08057	2.4
171.11685	1.2
174.03113	5.3
174.10435	0.8
175.03917	0.9
177.05490	2.1
179.07036	19.6
179.10628	10.1
183.10078	0.6
189.05441	1.2
189.09088	29.0
189.12671	3.4
189.16399	1.5
191.03387	1.5
192.04152	7.2
192.09378	0.7
207.04884	1.3
207.06534	63.3
207.10132	81.7
207.13811	6.0
207.17447	2.2
208.06857	1.1
208.10464	1.0
225.11253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
53.03946	1.1
55.01864	3.3
55.05504	2.3
56.96577	0.6
57.03427	0.6
57.07071	0.8
59.04998	4.3
59.41045	0.4
65.03928	1.1
67.05494	5.5
68.99798	0.4
69.03423	13.2
69.07050	2.2
69.77126	1.0
69.77532	1.7
71.04987	1.2
72.20887	0.5
77.03942	0.6
78.04691	0.6
79.05486	9.3
81.03414	1.4
81.07050	7.1
83.04970	3.4
85.02895	0.8
85.06538	0.6
88.73492	0.5
91.05473	28.1
93.07036	13.6
95.04963	8.4
95.08594	8.0
97.02887	2.0
97.06519	0.5
98.21584	0.5
99.04446	0.9
103.05448	2.2
105.03392	1.9
105.07020	40.1
107.04935	6.7
107.08585	9.3
108.05721	0.5
109.02868	1.1
109.06519	5.2
109.10151	5.7
110.07301	0.9
111.04422	1.1
111.08087	0.6
113.06011	1.6
115.05451	1.8
117.07001	6.0
119.04945	5.6
119.08568	100.0
120.05704	1.1
120.08879	0.6
121.06502	7.4
121.10130	7.3
123.04408	2.4
123.08057	13.4
123.08946	0.8
123.11688	1.8
128.06207	5.0
129.06985	2.3
130.07768	1.9
131.04884	0.7
131.08551	3.3
132.05707	0.9
133.02893	0.5
133.06488	9.6
133.10117	68.2
134.10452	1.0
135.04413	0.6
135.08041	2.1
135.11685	2.3
136.05171	2.0
137.06003	2.4
137.09595	5.3
139.07541	1.5
141.06996	0.5
143.08556	10.9
145.06445	2.5
145.10107	4.6
146.03654	1.4
146.07253	2.7
146.85086	0.5
147.04413	4.0
147.08031	80.2
147.11659	3.6
148.08827	8.3
149.02335	4.0
149.05977	2.6
149.09648	2.7
151.07515	5.2
151.11200	2.9
155.06104	0.5
156.09338	0.5
159.08093	1.3
161.05943	1.3
161.09604	37.6
161.13255	1.8
163.03897	1.4
163.07527	1.2
163.11179	5.0
164.04683	5.9
165.05473	1.2
165.09094	14.8
165.12787	2.0
171.08054	2.7
171.11575	0.5
174.03073	1.1
174.06697	0.5
174.10394	1.0
175.03983	0.6
176.25114	0.4
177.05417	0.6
177.09160	0.6
177.78105	0.5
179.07054	5.0
179.10669	10.7
189.09090	30.0
189.12669	3.7
189.16353	1.2
192.04163	2.5
192.11444	5.2
207.06609	16.2
207.10139	78.3
207.13728	27.1
207.17383	1.8
208.10574	1.1
208.14044	0.6
225.11211	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Narchinol A
Peak:m/z	Relative Intensity
53.03936	1.6
55.01868	4.3
55.05500	3.2
56.96563	1.4
57.03440	1.0
57.07069	1.0
59.04998	4.4
65.03932	2.6
67.05507	7.1
68.99794	1.8
69.03075	0.9
69.03432	14.4
69.07067	2.5
69.34898	4.8
69.35309	1.4
71.04984	2.6
71.26307	0.8
73.67617	0.7
77.03921	1.0
78.04711	1.0
79.05493	11.8
81.03418	1.7
81.07056	9.3
83.04968	4.3
83.08627	1.0
85.02917	1.4
85.06533	1.1
91.05482	48.1
93.03370	0.7
93.07045	16.2
95.04967	11.4
95.08607	10.6
97.02903	2.5
97.06532	0.7
98.31509	0.7
98.97583	0.9
99.04454	1.5
103.05472	5.7
105.03388	2.1
105.04597	0.8
105.07033	44.2
106.04211	1.2
107.04297	0.7
107.04962	8.6
107.08603	11.3
108.05744	2.8
108.41486	0.7
109.02876	0.9
109.06523	6.1
109.10149	6.6
110.07307	0.8
111.04443	1.1
111.08075	1.5
113.06021	2.0
115.05441	2.0
116.98615	1.0
117.07016	6.0
118.04165	3.1
119.04948	20.7
119.08581	100.0
120.05783	1.1
120.08889	0.8
121.02850	2.4
121.06509	9.0
121.10144	6.9
123.04444	5.9
123.08068	16.6
123.11708	2.0
125.09634	2.6
128.06215	6.2
129.07019	3.5
130.07762	1.6
131.04938	1.2
131.08575	4.2
132.05737	0.8
133.02899	0.9
133.06493	10.8
133.10130	68.0
134.03656	0.6
134.10518	1.4
135.04422	0.8
135.08072	2.0
135.11723	3.0
136.05206	9.3
137.05989	6.7
137.09621	5.5
139.07578	1.5
143.08574	10.6
143.09674	0.9
145.06499	2.5
145.10124	6.0
146.03627	6.9
146.07248	3.4
147.04417	18.7
147.08046	85.4
147.11705	4.3
148.05026	0.6
148.08842	7.8
149.02338	15.5
149.05977	4.9
149.09613	4.8
149.13306	0.8
151.03882	1.8
151.07542	14.3
151.11214	4.2
161.05998	4.0
161.09624	38.5
161.13306	2.7
163.03925	5.8
163.07561	2.4
163.11166	6.2
164.03284	1.3
164.04686	24.9
165.05469	1.8
165.09117	13.3
165.12720	0.9
165.96373	0.6
166.06258	0.7
171.08064	2.8
174.03204	4.9
174.06885	0.8
175.03946	2.2
177.05476	2.3
178.06233	0.9
179.07040	22.3
179.10638	9.9
189.05505	1.5
189.07364	1.5
189.09103	28.9
189.12740	4.1
189.16367	1.4
191.03461	1.1
192.04167	10.3
194.64923	0.6
204.08350	0.7
207.03316	1.4
207.06549	70.4
207.10149	77.7
207.13821	7.7
207.17491	2.9
208.06918	0.8
208.10551	1.0
219.89676	0.6
225.11253	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
51.02391	0.5
53.03948	0.6
54.21241	0.4
55.01867	3.0
55.05515	1.9
59.05003	3.9
62.28041	0.3
65.03942	1.2
67.05505	3.3
68.58611	0.4
69.03428	15.8
69.07065	1.0
69.37940	3.1
69.38360	1.1
71.04997	0.9
73.95432	0.3
77.32815	0.4
79.05048	0.7
79.05492	8.4
81.03413	0.7
81.07059	6.8
83.04990	3.2
84.23724	0.4
85.02882	0.5
85.06538	0.5
85.16264	0.3
91.05479	28.4
93.07047	12.5
95.04968	6.9
95.08607	5.9
97.02901	2.2
97.06544	0.8
98.21519	0.7
99.04482	0.7
103.05448	2.0
103.80272	0.4
104.06253	0.4
105.03405	1.2
105.07030	40.7
107.04949	7.4
107.05624	0.7
107.08597	9.4
109.02872	0.5
109.06526	5.1
109.10149	4.5
111.04427	1.0
113.05990	1.8
115.05465	1.5
117.07011	7.1
118.07811	0.4
119.04971	4.1
119.08580	100.0
120.05703	0.7
120.08923	1.1
121.02952	0.4
121.06513	6.1
121.10152	6.4
123.04445	1.8
123.08068	10.9
123.11715	1.4
128.06230	4.3
129.06992	2.0
130.07797	1.4
131.04933	0.5
131.08583	2.1
132.05687	0.8
133.06496	9.0
133.10130	66.3
134.10529	0.9
135.08043	1.3
135.11674	2.6
136.03613	0.4
136.05202	1.3
137.05972	1.4
137.09619	3.6
139.07518	0.8
143.08557	11.9
145.06471	2.0
145.10138	5.0
146.03720	0.5
146.07285	2.6
147.04414	3.1
147.08047	86.3
148.08839	8.4
149.02353	2.3
149.06012	2.0
149.09697	0.9
151.07568	2.0
151.11172	4.2
159.08009	0.6
161.09625	39.9
162.09944	0.6
163.03911	0.6
163.07565	1.9
163.11185	5.3
164.04677	3.6
165.05426	0.9
165.09116	13.0
171.08069	2.3
174.03088	0.7
174.06729	0.6
179.07111	3.0
179.10669	10.8
179.12192	0.8
189.09111	28.7
190.09341	0.5
192.04123	1.3
207.06757	11.1
207.10164	87.6
208.10503	1.1
225.11234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Narchinol A
Peak:m/z	Relative Intensity
53.03912	1.9
55.01854	2.9
55.05506	8.4
56.96552	3.8
57.03423	3.0
57.07074	4.1
59.04984	2.4
65.64795	2.0
67.05504	20.2
69.03429	24.0
69.07056	5.8
71.04981	4.4
71.59698	3.5
73.31989	1.7
79.05491	13.3
81.03420	2.1
81.07060	27.3
83.04967	7.0
83.08616	3.7
85.02908	9.8
85.06524	3.0
91.05483	46.8
93.07047	31.0
95.04961	16.2
95.08055	2.4
95.08610	37.0
97.02891	1.9
97.06539	4.1
99.04460	3.1
103.05466	6.1
105.03415	3.0
105.07034	65.7
107.04967	5.8
107.08603	28.8
108.05770	2.3
109.06515	17.1
109.10154	15.3
109.23625	1.8
111.04436	4.1
111.08076	3.9
115.05507	2.9
115.96441	5.7
117.07022	8.4
118.04146	5.3
119.04953	20.1
119.08585	80.6
121.06474	14.4
121.10148	14.8
123.04417	7.3
123.08080	44.4
123.11721	13.0
125.09676	2.3
128.06203	9.1
129.06981	6.9
130.07794	1.9
131.08580	8.8
133.06493	7.8
133.10138	84.3
133.97484	4.3
135.08054	6.3
135.11691	6.4
136.05164	7.8
137.05966	8.3
137.09613	15.3
139.07530	2.6
143.08563	18.1
145.06451	4.7
145.10136	9.4
146.03633	8.1
146.07277	4.4
147.04422	19.6
147.06923	3.1
147.08057	49.0
147.11674	18.2
149.02333	13.9
149.05966	6.6
149.09618	19.3
149.13289	2.4
151.07542	22.0
151.11113	12.6
152.81505	1.7
159.08055	2.1
161.01195	2.2
161.05965	5.6
161.09627	76.9
161.13240	15.1
163.03954	3.0
163.07494	2.6
163.11238	12.6
164.04692	21.0
165.09134	24.0
165.12721	10.2
171.08017	3.5
171.11644	2.8
174.03163	6.3
175.03911	2.5
175.07518	1.7
177.05492	2.2
179.07097	19.6
179.08495	3.7
179.10670	27.0
189.05531	3.4
189.09114	45.0
189.12787	11.6
189.16397	9.4
192.04146	7.2
207.02899	3.5
207.04596	3.0
207.06541	68.0
207.10159	100.0
207.13730	37.6
207.17424	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	207.1015
Annotation	Narchinol A
Peak:m/z	Relative Intensity
50.00651	0.3
51.02377	0.5
53.03939	1.0
55.01874	4.3
55.05511	2.9
57.03427	0.4
57.07052	0.7
59.05006	4.1
65.03932	2.0
65.05917	0.3
66.04729	0.4
67.01842	0.5
67.05501	5.9
68.99771	0.8
69.03429	13.5
69.07078	2.0
70.86780	0.3
71.05002	1.9
77.03937	0.7
78.04710	0.5
79.05059	0.6
79.05493	9.9
81.03436	1.6
81.07058	7.6
83.04981	3.9
83.08612	1.0
85.02917	0.8
85.06528	0.7
87.04460	0.5
91.05484	35.5
92.05797	0.4
93.03415	0.9
93.07044	18.3
95.04967	9.3
95.08604	8.5
97.02887	2.2
97.06526	1.1
98.03688	0.7
98.21625	0.6
99.04425	0.9
103.05479	3.6
104.06234	0.6
105.03413	1.4
105.07034	39.8
106.04192	0.7
107.04956	7.0
107.08598	9.0
108.05713	1.3
109.02875	0.5
109.06513	5.9
109.10168	4.6
110.07348	0.9
110.82355	0.3
111.04447	1.5
111.08115	0.7
113.05987	1.8
115.05464	1.6
117.07025	7.0
118.04153	1.6
119.04950	10.0
119.08583	100.0
120.05719	1.4
120.08915	1.0
121.02866	1.3
121.06512	7.6
121.10143	6.6
123.04444	3.2
123.08076	11.5
123.11700	1.6
124.08865	0.6
125.09649	0.7
128.06223	4.5
129.07007	2.5
130.07828	1.6
131.04958	0.4
131.08582	3.5
132.05759	1.1
133.02861	0.4
133.06499	9.7
133.10133	59.7
134.03647	0.6
134.10446	0.6
135.04384	0.8
135.08060	1.8
135.11676	2.7
136.05194	4.2
137.05980	2.2
137.09618	3.7
139.07564	1.5
141.07018	0.5
141.09065	0.4
143.08571	10.1
145.06500	1.6
145.10127	5.0
146.03590	2.8
146.07263	2.3
147.04427	8.7
147.08047	83.9
147.11684	3.5
148.08838	7.5
149.02345	8.9
149.03481	0.6
149.05980	2.6
149.09636	2.3
151.03963	0.6
151.07561	6.5
151.11186	3.5
161.05963	1.3
161.09621	37.9
161.13283	1.5
162.10033	0.5
163.03944	2.4
163.07571	1.3
163.11176	5.0
164.03279	0.5
164.04688	12.3
165.05481	1.6
165.09131	13.2
165.12778	0.5
171.08060	2.7
171.11731	1.0
174.03113	3.4
174.06749	0.6
175.03909	0.6
177.05510	1.1
179.03563	0.3
179.05457	0.6
179.07043	11.5
179.10661	9.7
179.14322	0.5
189.09111	26.0
189.12648	2.1
189.16457	1.1
191.03481	0.5
192.04173	4.6
192.09497	0.4
207.03345	0.9
207.06578	33.7
207.10164	81.5
207.13864	3.9
207.17456	1.0
208.03773	0.5
208.06908	0.6
208.10535	0.7
225.11258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Narchinol A
Peak:m/z	Relative Intensity
51.55770	0.8
53.03941	1.6
55.01860	4.0
55.05504	3.6
56.96555	3.2
57.03438	1.3
57.07071	1.2
59.04992	3.2
65.03935	1.8
67.05512	9.4
69.03429	13.2
69.07072	4.5
71.04976	3.6
79.05492	9.8
81.03405	1.8
81.07062	13.7
83.04989	5.9
83.08605	1.9
85.02885	2.2
85.06543	1.5
91.05484	28.7
93.07048	17.7
95.04972	12.2
95.08611	17.9
97.02886	2.1
97.06514	1.4
99.04436	1.1
103.05463	2.1
105.03395	1.3
105.07033	48.9
107.04988	6.4
107.08601	17.3
109.06524	7.9
109.10172	7.2
110.07288	1.4
111.04425	2.4
111.08071	1.9
113.06013	1.3
115.05500	2.1
115.96439	2.6
116.97255	1.4
117.07028	7.4
119.04955	6.0
119.08585	100.0
120.05737	0.9
120.08031	1.0
121.02822	0.9
121.06549	5.9
121.10131	10.4
123.04408	2.1
123.08072	14.2
123.11687	3.6
125.05968	1.4
128.06236	5.9
129.06996	2.8
130.07825	2.0
131.08574	5.4
133.06493	9.4
133.10136	66.6
133.97467	2.0
135.08049	2.6
135.11700	3.3
136.05144	1.3
137.06004	3.3
137.09589	6.3
137.13213	1.0
139.07573	1.3
143.08559	13.2
145.06479	3.3
145.10115	4.9
146.03583	2.9
146.07227	1.6
147.04399	4.8
147.08051	77.5
147.11690	11.5
148.08856	7.4
149.02353	3.8
149.06023	2.2
149.09639	4.7
149.13220	1.7
151.07532	5.7
151.11214	4.7
155.07211	1.1
156.09439	1.3
156.99040	1.0
161.05971	1.4
161.09624	39.5
161.13263	15.8
163.03937	1.0
163.07571	1.7
163.11212	5.0
164.04660	4.7
165.09137	14.9
165.12782	4.6
171.08043	3.3
171.11748	2.0
174.03218	1.1
179.07019	4.8
179.10677	12.2
179.14348	1.2
189.05476	1.3
189.09119	30.8
189.12724	6.8
189.16336	4.6
192.04253	2.2
207.02908	1.6
207.06613	18.6
207.10164	79.0
207.13623	15.2
207.17421	6.1
229.44891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0766
Annotation	Phyllurine
Peak:m/z	Relative Intensity
53.03941	0.6
55.01869	0.7
55.05508	0.6
56.96571	2.2
57.03429	0.8
57.07056	0.2
59.06674	0.2
60.04518	0.2
65.03925	0.3
65.52796	0.2
67.05238	0.2
67.05515	2.3
67.33577	0.2
67.36135	0.2
69.03433	2.4
69.07042	0.5
70.06590	1.1
70.93608	0.3
70.93966	0.5
71.04987	0.7
71.62094	0.2
73.02921	1.4
77.03954	0.4
79.05496	6.2
81.03413	1.5
81.07056	0.9
83.04971	0.8
84.08143	1.3
84.96018	0.6
85.02909	3.2
85.06548	0.3
87.04488	0.3
91.05484	5.3
92.05058	0.2
93.07053	1.7
95.04958	1.1
95.08611	2.1
97.02891	0.5
97.06512	0.3
98.97590	2.0
99.04453	0.4
103.05494	0.4
105.07033	5.8
106.06561	10.6
107.04939	0.9
107.08578	1.2
109.02883	0.6
109.06512	0.9
109.10159	0.9
110.01273	0.3
111.04443	0.3
113.06018	0.3
115.03947	0.4
115.05420	0.5
116.04987	1.4
116.07133	0.5
116.98604	1.9
117.07007	1.3
118.05280	0.9
118.97581	0.2
119.01816	0.4
119.04977	1.4
119.05739	0.2
119.05990	0.2
119.08585	8.5
121.02869	0.2
121.06520	0.3
121.10148	0.8
122.07198	0.2
123.04450	0.5
123.08065	1.3
123.11702	0.5
125.09614	0.3
127.03922	12.9
128.04253	0.7
128.06236	1.2
128.98564	0.3
129.07007	2.4
129.10240	0.5
131.06058	0.5
131.08546	0.4
133.06520	0.6
133.07613	12.0
133.10138	2.3
134.06007	0.4
134.99666	1.4
135.04359	0.3
135.08025	0.4
136.07545	0.2
137.05965	0.4
137.09608	1.2
137.13214	0.3
143.00188	0.6
143.05049	0.2
143.06059	1.2
143.08580	3.2
144.04370	0.3
145.05127	0.2
145.06480	0.7
145.10136	0.5
146.03624	0.2
146.99683	0.3
147.04439	1.6
147.08058	8.0
147.11682	1.3
148.08704	0.3
149.09572	1.3
151.07578	0.6
151.11145	0.2
153.06999	0.2
156.09367	0.3
158.99672	0.8
161.01292	1.3
161.05989	0.7
161.07158	0.4
161.09644	3.1
161.13283	0.7
163.11192	0.5
164.04695	0.3
164.98669	0.5
165.05522	0.5
165.09097	1.1
165.12770	0.5
170.99664	0.3
171.05617	0.4
171.08040	0.5
171.11649	0.4
173.02827	0.5
173.09262	0.3
174.06766	0.4
175.03952	0.3
177.00713	1.2
177.06566	0.6
179.02260	0.5
179.06941	0.5
179.10764	0.5
182.99663	3.0
183.97636	0.2
185.05739	0.4
189.00751	0.6
189.06609	17.8
189.09047	2.3
189.12805	1.2
190.07036	0.3
192.14430	0.3
193.31781	0.2
195.01799	0.2
201.00725	10.6
202.01103	0.6
203.02399	0.4
207.07672	100.0
207.10040	6.2
207.13863	2.9
207.17432	0.5
208.07951	1.2
219.01784	4.0
220.02103	0.3
224.02336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
55.05502	1.8
56.96565	29.7
57.07074	1.3
59.04991	0.5
65.03930	0.7
65.34546	0.5
66.48251	0.5
67.05499	3.5
67.34727	0.5
69.03416	1.5
69.07071	5.6
70.16290	0.8
70.16624	3.1
71.04996	1.7
71.95253	1.5
77.34380	0.5
79.05483	2.6
81.03394	0.7
81.07057	7.9
83.04987	3.8
83.08602	2.1
85.02892	1.0
85.06528	1.2
91.05485	7.1
93.07035	6.8
95.04966	3.1
95.08604	10.6
95.09177	1.1
97.06513	1.7
105.06387	0.9
105.07037	12.3
105.24364	0.5
106.07349	0.6
107.04945	0.9
107.08601	10.4
109.06517	2.5
109.10162	4.6
111.04443	1.1
111.08092	1.1
113.06031	0.9
115.96407	0.7
117.07018	1.3
118.54532	0.7
119.04928	1.8
119.08585	16.8
121.06495	1.0
121.10127	5.5
123.04465	0.7
123.08064	15.0
123.11691	2.5
124.99141	1.9
125.06055	1.0
125.09628	1.0
129.07024	0.7
131.08560	1.0
133.06516	1.5
133.10144	11.2
135.07982	0.8
135.11685	3.7
137.05971	2.2
137.09627	2.6
137.13242	1.3
143.00142	11.5
143.08588	1.0
145.10149	2.1
146.03641	2.8
147.04405	1.0
147.08052	3.2
147.11684	14.0
149.09615	2.1
149.13272	3.3
151.07527	2.7
151.11189	1.9
161.01221	100.0
161.09630	2.7
161.13263	12.4
163.01656	0.9
163.03975	0.8
163.11215	0.8
163.14793	2.6
164.04724	1.3
165.06883	0.8
165.09120	1.9
165.12737	2.1
166.01768	2.1
171.11714	1.2
178.07841	0.5
179.02280	60.3
179.08438	1.0
179.10573	0.6
179.32181	0.7
181.02649	0.5
184.02827	24.9
185.03265	0.6
189.09105	1.4
189.12825	5.6
189.16391	9.4
192.04187	2.1
192.09352	6.8
197.03314	0.8
202.03882	11.7
207.02841	1.0
207.04466	3.5
207.06538	9.6
207.10075	2.8
207.11696	13.6
207.13818	12.0
207.17427	17.5
207.19402	1.0
225.05576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68571	0.6
53.03941	1.6
55.01328	0.6
55.01866	3.2
55.05505	2.7
56.05022	2.0
56.96563	30.6
57.03440	5.8
57.07072	1.5
58.06598	4.0
58.99852	0.6
59.04983	0.6
59.07377	1.9
60.04510	1.8
60.05642	1.2
60.08144	0.7
60.95844	1.1
61.02924	1.8
65.03950	1.3
65.92634	7.4
67.01865	0.6
67.05509	5.0
69.03431	14.4
69.07067	2.6
70.03730	0.6
70.06586	5.0
71.04984	3.6
71.06932	0.6
71.28072	1.5
71.95276	1.0
72.08147	2.7
73.02917	10.7
74.06078	1.7
74.97607	1.0
79.05492	3.8
80.05029	1.4
80.94962	24.1
81.03415	5.6
81.07049	4.7
83.04978	2.1
83.06114	0.8
83.08616	0.8
83.93671	2.3
84.04494	1.6
84.08144	6.5
84.96046	3.2
85.02905	19.9
85.06523	1.4
85.08454	0.6
86.03200	0.8
86.09692	4.0
87.04504	1.4
87.09969	0.7
91.05476	7.7
93.07043	5.3
95.04974	2.2
95.06089	2.4
95.08610	6.2
96.06429	1.6
97.02891	6.1
97.06522	0.7
97.10179	0.7
98.96005	3.4
98.97576	13.4
99.04440	2.8
100.02530	0.8
101.00809	1.0
101.02382	1.4
102.97035	1.3
104.05300	1.4
105.07021	8.2
107.04962	2.3
107.08587	4.6
109.02855	4.4
109.06519	3.1
109.10148	2.4
110.01261	4.4
110.07166	3.0
110.97555	1.3
111.04431	1.2
111.08083	0.8
113.07131	1.2
115.02423	2.7
115.03944	3.0
116.08192	1.1
116.98618	14.4
116.99433	0.8
117.02037	0.7
117.04025	1.1
117.07005	1.1
118.03514	1.2
119.01865	6.9
119.04961	1.5
119.08566	8.9
120.02007	0.9
120.97987	0.9
121.06505	1.7
121.10130	2.8
121.97572	30.3
122.07235	0.7
123.04442	0.9
123.08064	3.9
123.09030	0.6
123.11701	2.8
124.07584	2.6
124.93905	13.5
125.05989	0.8
125.09608	0.7
127.03913	100.0
128.02281	1.1
128.04236	5.7
128.06229	1.2
128.98595	2.5
129.07008	1.9
129.10249	0.9
131.00182	0.7
131.01880	2.3
131.08560	1.7
133.01662	1.3
133.03438	2.7
133.06454	1.5
133.10097	3.7
134.99651	16.5
135.05064	2.3
135.08052	1.2
135.11716	0.8
136.06134	0.9
136.07542	1.6
137.02953	1.2
137.06003	1.2
137.09616	2.4
138.98988	0.8
140.00168	1.2
142.03554	1.4
142.94936	7.5
143.00195	3.1
143.01793	3.4
143.03583	2.7
143.08566	2.3
145.01729	1.6
145.03493	1.7
145.04976	1.8
145.06485	0.7
145.10124	1.8
146.02316	0.7
146.10780	0.6
146.99644	5.4
147.04428	1.2
147.08064	7.0
147.11697	4.1
148.08733	0.7
149.01224	1.6
149.09601	4.2
150.03522	0.7
150.05858	0.7
150.53798	1.3
151.02695	0.8
151.03966	0.7
151.07535	1.8
153.00702	3.5
155.00143	0.8
156.03247	1.1
158.01320	1.4
158.06590	1.6
158.99634	4.7
159.05049	0.8
159.54353	10.2
160.04590	3.0
160.96007	21.9
160.97525	1.8
161.01225	11.6
161.02946	9.8
161.04430	1.1
161.05934	1.2
161.09660	3.0
161.13342	2.4
163.02681	1.2
163.03952	2.1
163.10725	2.0
164.02290	1.8
164.98570	2.4
165.00685	2.1
165.05417	1.0
165.09065	1.0
165.12766	0.7
165.96535	27.7
166.96713	0.9
167.04434	0.8
170.99632	2.4
171.05138	1.2
171.11591	0.8
173.01208	1.6
173.02853	2.4
174.04414	0.8
174.10368	0.7
175.04047	0.9
177.00693	8.4
178.97049	1.4
178.98564	1.0
179.02264	4.4
179.03976	3.1
179.05602	1.0
179.07079	1.2
179.10587	1.1
181.06100	0.7
182.03389	0.8
182.99663	18.8
183.97591	51.3
184.02892	1.2
184.04512	10.6
184.06177	1.2
184.97699	1.2
185.01329	0.8
185.02986	1.8
185.04663	0.6
187.04399	0.7
187.06148	0.7
189.00702	4.2
189.04224	0.8
189.09093	1.4
189.12733	5.0
189.16379	1.7
191.02322	0.9
195.01666	1.1
195.07805	0.8
201.00706	78.9
202.01065	5.6
202.05589	3.7
202.07378	1.2
202.98640	0.7
203.02354	0.9
203.04022	1.6
206.01369	0.8
206.65361	8.9
206.99202	4.8
207.01563	1.4
207.03110	1.1
207.06392	2.4
207.10098	5.7
207.13535	6.9
207.15338	2.0
207.17172	4.0
208.04549	0.9
219.01758	30.8
220.02002	1.5
224.02309	4.6
225.00717	1.6
225.02644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.05513	8.0
56.05033	1.4
56.05843	1.4
57.07066	3.5
58.07423	1.7
59.06117	1.8
67.05511	9.2
67.19928	1.0
68.05839	4.2
69.07068	13.7
70.06585	1.7
70.07415	7.8
71.15666	2.4
72.08961	1.4
73.64113	0.9
74.46174	0.9
77.56208	0.9
79.05501	10.3
80.05815	5.9
81.06583	2.5
81.07063	46.5
82.06615	1.8
82.07394	30.7
83.06110	1.0
83.08628	4.6
84.08965	2.6
85.07683	1.0
91.05494	4.9
92.05812	3.3
93.07051	34.4
94.07379	30.0
95.04996	1.2
95.06081	2.3
95.08613	28.8
96.08939	19.1
97.07681	1.8
97.10159	5.0
98.10527	3.2
105.07058	3.8
106.07386	3.9
107.08605	18.6
108.08932	17.2
109.07662	2.3
109.10171	18.8
110.07207	2.0
110.10498	18.9
111.09207	2.3
112.08747	2.0
119.08604	4.0
120.08912	2.2
121.10152	74.4
122.07122	1.8
122.10486	100.0
123.08064	5.4
123.09193	2.1
123.10880	1.7
123.11687	6.9
124.08698	2.1
124.12051	11.2
133.10179	1.8
135.11707	8.1
136.12050	19.4
146.03581	1.6
147.11739	1.4
148.08693	2.7
149.08301	1.6
149.09567	1.5
149.13268	16.8
150.02661	1.9
150.13605	38.8
151.11211	1.1
161.13251	2.1
162.13644	1.8
163.09752	2.2
163.11053	1.1
163.13838	2.2
164.09380	1.9
164.11668	1.4
164.15234	4.2
165.11423	2.2
186.32527	0.9
189.11429	2.7
189.16425	1.7
191.14365	1.4
206.04425	1.2
206.08163	2.3
206.10345	3.0
206.12103	2.1
206.14066	10.3
206.16212	3.9
206.19899	45.8
207.06537	2.0
207.13824	1.8
207.17546	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	206.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.5
56.05835	3.2
57.07065	3.5
62.16362	2.1
67.05495	11.2
68.05819	4.2
69.07061	15.1
69.66312	2.0
69.96084	14.5
70.07394	8.9
77.16982	2.2
79.05498	8.9
80.05830	3.8
81.07052	46.7
82.07385	27.2
83.08612	5.1
84.08936	4.3
91.05491	5.8
92.05809	5.6
93.07035	34.8
93.71673	2.1
94.07370	27.9
95.08604	23.9
96.08929	21.9
97.10175	4.2
98.21426	3.2
105.06995	5.5
107.08609	20.8
108.08916	19.2
109.10167	14.0
110.10503	16.7
112.12095	2.8
118.10069	2.3
119.08598	3.4
121.10138	63.3
122.07117	3.4
122.10471	100.0
123.08022	4.5
123.11700	8.6
124.12043	9.1
135.11688	9.1
136.12025	18.3
147.11671	3.7
149.09384	2.9
149.13245	16.7
150.02644	2.5
150.13585	38.9
161.13229	5.0
163.11086	3.3
163.13905	4.5
164.15193	3.0
178.04973	2.6
191.14255	3.6
206.08087	6.8
206.09988	3.3
206.11906	8.4
206.14082	9.6
206.16313	5.7
206.19864	34.5
207.13913	3.1
207.17441	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	207.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01868	2.9
55.05513	3.2
56.96565	13.2
56.96846	0.9
57.03438	4.0
57.07063	0.7
61.02924	0.9
67.05501	3.2
69.03431	11.6
69.07075	1.2
70.06580	1.1
71.01339	0.4
71.04987	1.5
73.02920	9.2
74.97632	0.4
75.51953	0.3
79.05494	2.3
81.03418	5.4
81.07056	3.0
82.03780	0.4
83.04987	1.7
83.08611	2.4
84.08127	0.5
84.96043	3.6
85.02905	16.7
87.00810	0.9
87.04455	0.5
91.05479	9.4
93.07046	3.0
95.04975	1.7
95.08612	3.6
97.02884	2.2
97.06550	0.5
98.97584	9.4
99.04459	2.4
102.97078	0.8
103.05467	0.9
105.02020	0.4
105.07037	10.5
107.04977	1.5
107.08604	2.7
109.02871	4.4
109.06533	1.6
109.07635	0.6
109.10163	1.0
110.01293	4.3
110.97556	0.9
111.04393	0.5
111.08022	0.4
115.03957	3.3
115.05463	0.6
116.98621	10.2
117.07028	2.4
119.01792	2.8
119.04954	2.1
119.08585	12.3
121.06493	1.5
121.10139	1.7
121.52140	0.4
122.01233	0.5
123.04456	0.8
123.08051	2.6
123.11664	0.8
125.06010	0.8
127.03918	100.0
128.02354	0.5
128.04245	4.6
128.06204	2.3
128.98584	2.5
129.07007	3.8
131.00177	0.6
131.01794	1.2
131.08569	1.2
133.06497	1.0
133.10106	3.6
134.99666	11.6
135.11778	0.6
137.09590	1.4
140.00191	0.6
140.98558	0.5
141.05435	0.7
143.00125	1.9
143.01799	1.2
143.08572	5.1
145.01735	1.1
145.04980	1.4
145.06476	1.1
145.10135	1.1
146.99669	3.4
147.04404	3.0
147.08055	12.3
147.09221	0.6
147.11711	2.6
148.08694	0.8
149.01302	0.8
149.02455	0.5
149.09619	2.5
151.07527	1.4
153.00725	1.6
153.06960	0.7
158.01234	0.9
158.99628	2.5
159.08069	0.7
160.05194	0.9
160.08841	0.5
161.01222	5.7
161.05974	1.8
161.09618	4.4
161.13316	2.1
162.99156	0.7
163.07523	0.8
163.11180	0.9
164.02271	0.9
164.98555	2.7
165.00734	0.7
165.05441	0.9
165.09068	1.9
165.12698	0.7
170.99664	1.3
171.08049	1.1
171.11728	0.7
173.01268	1.9
173.02902	1.3
177.00700	5.3
179.02277	1.7
179.07062	0.7
179.10669	0.6
182.03357	0.6
182.99660	19.3
184.00014	1.1
184.53635	0.6
185.01305	0.5
185.05833	0.6
187.06100	0.6
189.00731	2.7
189.05580	0.4
189.09114	5.0
189.12708	1.9
195.01851	0.9
200.02235	0.5
201.00710	75.7
202.01070	5.3
206.01302	1.4
207.01630	0.5
207.06313	2.2
207.08266	0.5
207.10175	14.7
207.13858	5.7
207.17424	1.0
219.01768	28.9
220.02127	1.8
220.99675	0.6
224.02328	4.1
225.00690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68373	1.2
56.96561	4.3
66.22943	1.2
70.54716	1.2
71.12666	1.3
71.58125	1.3
79.95329	1.5
80.23952	1.3
80.94956	2.9
84.24895	1.2
91.05556	1.6
91.37990	1.2
100.02482	3.8
101.00867	9.9
102.00908	1.4
102.02202	2.0
103.00639	2.0
116.98679	2.2
118.03518	2.9
119.01925	84.8
120.02004	6.4
120.03272	1.8
121.01678	13.2
121.97538	1.9
124.02461	4.2
134.99696	2.1
137.02957	38.8
138.03018	3.5
139.02699	6.6
142.03499	100.0
143.03601	5.8
144.03268	8.8
160.04538	52.6
161.02959	3.8
161.04672	4.1
162.04216	6.6
165.05132	5.7
165.96605	2.5
167.04887	1.7
177.00960	3.0
177.06140	1.8
178.06248	4.6
179.00713	6.4
180.49390	1.3
182.98174	1.5
182.99667	3.7
183.06087	19.7
183.97635	2.4
188.99194	5.9
189.99071	2.1
191.49428	4.6
200.49953	30.9
201.00398	9.4
201.02519	3.3
201.07564	8.4
201.49913	5.3
209.50600	3.1
212.00807	3.8
219.01707	2.3
219.03600	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.5
56.05835	3.2
57.07065	3.5
62.16362	2.1
67.05495	11.2
68.05819	4.2
69.07061	15.1
69.66312	2.0
69.96084	14.5
70.07394	8.9
77.16982	2.2
79.05498	8.9
80.05830	3.8
81.07052	46.7
82.07385	27.2
83.08612	5.1
84.08936	4.3
91.05491	5.8
92.05809	5.6
93.07035	34.8
93.71673	2.1
94.07370	27.9
95.08604	23.9
96.08929	21.9
97.10175	4.2
98.21426	3.2
105.06995	5.5
107.08609	20.8
108.08916	19.2
109.10167	14.0
110.10503	16.7
112.12095	2.8
118.10069	2.3
119.08598	3.4
121.10138	63.3
122.07117	3.4
122.10471	100.0
123.08022	4.5
123.11700	8.6
124.12043	9.1
135.11688	9.1
136.12025	18.3
147.11671	3.7
149.09384	2.9
149.13245	16.7
150.02644	2.5
150.13585	38.9
161.13229	5.0
163.11086	3.3
163.13905	4.5
164.15193	3.0
178.04973	2.6
191.14255	3.6
206.08087	6.8
206.09988	3.3
206.11906	8.4
206.14082	9.6
206.16313	5.7
206.19864	34.5
207.13913	3.1
207.17441	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	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
51.19773	1.0
53.03929	1.8
55.05518	7.1
55.67244	0.9
56.51384	1.0
57.07075	2.5
65.31290	1.0
67.05508	9.6
69.07065	14.6
70.07043	6.1
72.17112	1.2
75.46989	1.0
79.05482	9.1
81.07059	49.3
82.07417	1.1
83.08615	4.9
91.05466	4.4
93.07044	44.8
94.07364	1.7
95.04974	1.2
95.08607	27.8
97.10143	3.7
105.07030	4.4
106.07334	1.5
107.08598	25.5
109.10153	23.6
109.10835	2.0
111.11672	1.6
119.08583	1.8
120.08857	1.6
121.10144	100.0
122.10463	1.7
123.11708	9.7
127.38304	1.0
135.11690	18.5
137.13200	1.2
149.02356	3.1
149.13261	32.5
158.66217	1.1
161.13239	2.7
162.13622	4.1
163.14819	3.7
205.12120	1.4
205.15915	3.7
205.19519	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	205.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05519	4.9
56.55042	0.5
57.07074	1.8
64.02543	0.6
65.03936	0.6
67.05507	5.5
69.07070	10.3
70.63644	2.1
71.08632	1.0
73.84336	0.6
75.89072	0.6
79.05500	8.1
81.07063	48.0
83.08625	3.4
88.85049	0.7
89.66158	0.6
91.05479	5.5
93.07050	35.8
95.04971	1.2
95.08608	16.3
97.10162	2.2
105.07036	2.6
107.08602	16.6
109.10159	13.5
111.11733	1.0
119.08580	0.9
121.10150	100.0
122.10473	1.7
123.11711	7.6
133.97021	0.6
135.11708	10.3
149.02361	2.7
149.13272	23.1
150.13486	0.7
163.14835	2.2
173.91220	0.6
205.19534	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	205.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.05514	14.3
57.07077	8.5
57.07325	1.9
61.36222	1.3
67.05210	1.6
67.05505	15.8
69.03773	1.2
69.06725	2.4
69.07070	32.7
69.60217	11.6
69.60553	1.6
71.08632	3.6
78.15160	1.6
79.05501	12.0
81.07061	53.7
83.08619	11.4
91.05464	5.3
93.07048	48.3
95.08610	58.0
97.02924	2.0
97.10188	8.3
97.10698	1.3
105.07031	5.7
107.08600	49.1
108.08797	1.3
109.06537	1.5
109.10159	47.4
111.11705	4.4
117.07070	1.6
119.08598	4.3
121.10149	100.0
123.11702	30.8
123.47271	1.3
125.06748	1.3
135.11707	48.2
136.12007	2.3
137.13245	3.7
149.02342	3.2
149.13268	65.5
159.11670	5.7
161.13290	1.6
163.14816	10.7
187.11169	4.3
205.12213	3.7
205.15813	2.6
205.19536	60.8
206.19948	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03933	2.0
55.05515	9.8
57.07061	3.2
61.84825	0.9
67.05505	10.2
69.07072	19.1
69.64942	2.4
69.65343	6.0
71.08629	1.8
75.59894	1.0
78.50802	1.1
79.05502	11.0
81.07060	51.8
83.08626	7.0
87.67476	0.9
91.05489	5.4
93.07050	49.9
95.04962	2.2
95.08609	35.7
96.11723	1.0
97.10188	5.7
103.69654	0.9
105.07006	3.2
107.08598	40.3
109.10160	33.4
111.11738	2.3
119.08545	1.6
121.10150	100.0
122.10501	1.4
123.11720	14.2
135.11699	24.2
149.02304	3.7
149.13266	69.3
150.13554	1.4
159.11681	2.1
161.13269	1.3
163.14822	4.4
181.29973	1.2
181.79309	0.9
187.11162	1.9
205.19521	40.3
206.19926	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14119	1.0
53.03922	1.3
55.05510	10.3
56.76196	1.0
57.07078	4.9
60.00925	0.9
67.05505	11.1
68.16759	0.8
69.07064	17.9
69.48243	3.7
69.48669	4.6
74.43917	0.9
79.05486	8.4
81.07056	52.5
83.08611	7.8
91.05467	4.6
93.07039	46.0
95.04928	1.5
95.08604	30.2
97.02840	1.2
97.10165	6.7
98.21460	2.2
105.07007	3.2
107.08595	35.2
109.10152	26.0
111.11702	3.0
119.08614	1.2
119.16783	0.9
121.10141	100.0
122.10481	1.1
123.11709	13.3
135.11694	25.0
137.13174	1.5
145.10068	1.1
149.02353	5.6
149.13261	47.7
163.14847	5.1
187.11151	0.9
205.19513	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	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03928	2.1
55.05503	6.9
57.07068	2.0
58.44576	0.8
58.81616	0.7
65.03934	1.4
67.05502	26.5
69.07072	11.6
69.39136	8.7
69.39474	1.7
79.05479	9.2
79.83866	0.9
81.07057	43.6
83.08608	3.8
85.06537	1.0
91.05474	3.7
93.07046	23.0
95.04943	0.8
95.08603	100.0
97.02912	2.4
97.10157	3.6
105.07017	3.4
107.08593	19.7
109.02827	1.8
109.10152	63.8
117.06997	1.1
119.08573	2.8
121.10136	30.3
123.11705	22.8
131.08589	1.5
133.10103	1.1
135.11682	26.7
145.10110	2.7
149.02351	2.8
149.13254	25.7
159.11710	2.2
159.52634	0.9
161.13202	2.1
163.14812	2.0
187.11179	5.6
205.12271	2.1
205.15869	3.1
205.19569	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	205.195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02415	1.4
52.09879	1.2
55.05304	1.3
55.05509	14.7
57.07067	5.9
63.26030	1.2
63.66054	1.1
67.05505	13.1
69.07066	25.7
70.19953	5.1
70.20364	2.4
70.87280	1.4
71.08617	2.7
79.05488	12.4
81.07053	53.8
83.08602	10.2
85.06532	3.6
91.05472	5.2
93.07039	50.2
95.04996	2.3
95.08602	51.5
97.02894	2.0
97.10167	7.9
105.07041	6.2
107.07862	2.6
107.08591	54.0
109.02881	1.7
109.10150	46.1
111.11730	5.2
119.08559	6.3
121.10136	100.0
123.11695	29.3
131.08569	2.4
133.10181	1.7
135.11687	42.7
135.12706	2.4
136.12019	1.3
137.13295	2.9
145.10143	4.9
149.02342	2.4
149.13252	66.1
159.05113	1.8
159.11696	4.0
161.13298	4.1
163.14799	9.8
177.06059	4.2
187.11176	9.4
188.99452	1.3
205.12305	4.0
205.16028	2.7
205.19539	67.9
219.35728	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
50.30065	1.5
50.30301	1.6
55.05512	19.2
57.07063	6.5
59.34523	1.7
60.42935	1.8
63.43877	1.8
67.05504	17.8
69.07066	35.1
69.54649	13.0
71.08630	2.1
79.05492	14.1
81.07061	56.3
83.08623	17.0
85.51546	1.5
91.05490	8.1
93.07045	52.6
95.08605	47.7
97.10172	14.0
98.20744	2.8
105.07057	7.9
107.08595	60.6
109.10159	47.5
111.11705	5.0
119.08562	7.4
121.10139	100.0
122.10527	1.7
123.11713	25.3
130.82253	1.6
135.11688	47.8
137.07867	1.6
137.13226	2.6
145.10155	2.8
149.02365	1.7
149.13258	69.1
150.13596	1.8
159.11681	6.0
161.13332	2.8
163.14827	10.8
165.31862	1.6
187.11180	12.2
205.12241	3.5
205.19521	71.9
206.19821	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03940	0.9
55.05506	5.5
57.07076	3.5
65.03946	0.8
67.05502	5.9
69.03433	1.2
69.07070	13.1
70.03075	3.2
79.05486	9.5
81.03409	1.9
81.07055	43.9
83.08618	2.9
85.02898	1.3
91.05478	5.3
93.07041	38.9
95.04941	0.9
95.08607	21.4
97.02892	4.1
97.10184	3.1
99.04463	0.9
105.07012	5.8
107.08592	20.3
109.02876	3.1
109.06524	0.8
109.10149	16.2
111.11727	1.6
113.96410	0.6
117.07029	0.8
119.08572	3.4
121.02863	0.9
121.10142	100.0
122.10468	1.4
123.08092	0.8
123.11709	9.5
127.03891	0.9
131.08574	1.6
133.10118	1.1
135.08118	0.6
135.11687	14.7
137.13339	1.4
145.10107	2.1
147.11696	1.3
149.02364	9.8
149.09653	0.8
149.13261	31.9
150.13524	0.6
154.99051	0.7
159.11725	2.2
161.13263	1.7
163.11278	1.2
163.14812	4.1
169.01378	0.7
174.26950	0.7
177.16391	0.8
187.11188	4.2
187.14772	1.1
205.08841	1.0
205.12231	2.9
205.14197	0.5
205.16055	3.2
205.19539	24.5
205.21468	1.3
206.19730	0.5
207.31392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03940	2.0
55.05510	22.2
57.07079	18.8
65.03951	2.2
67.05508	21.8
69.03430	3.5
69.07069	28.2
70.72066	7.0
71.08643	2.4
79.05495	15.5
81.03434	4.1
81.07057	41.4
81.07515	2.7
83.08633	18.3
84.04496	2.2
85.02922	5.1
85.06575	3.4
91.05481	14.1
93.07040	48.3
93.07605	2.4
95.04971	2.6
95.08609	71.3
96.08957	3.7
97.02895	22.8
97.06554	2.9
97.10171	15.0
99.04458	4.4
105.07038	19.7
105.07567	1.7
107.04951	2.4
107.08600	69.7
108.08884	1.7
109.02886	20.9
109.06535	3.1
109.10159	69.6
111.11757	4.9
114.05582	1.8
115.05884	2.3
117.07035	4.6
119.08577	24.4
121.02898	3.3
121.06549	4.9
121.10141	62.2
122.10519	2.5
123.11710	41.9
126.05518	2.2
127.03946	8.1
127.05888	2.8
131.08611	8.2
133.10097	9.6
135.04501	2.0
135.08099	3.3
135.10692	3.8
135.11703	61.8
135.12694	3.5
137.13280	2.9
139.03944	2.2
143.08614	2.2
144.09396	3.1
145.05016	3.6
145.06685	2.0
145.10114	14.5
147.11745	4.4
148.12053	2.6
149.02344	48.6
149.03487	2.9
149.06046	3.3
149.09641	4.9
149.13266	71.3
150.02711	1.8
150.13748	1.9
159.11714	28.7
161.13251	21.4
163.11252	4.8
163.14886	16.6
177.06070	2.0
177.12871	5.1
177.16451	5.3
185.03223	1.7
187.07768	2.8
187.11186	56.3
187.12759	3.1
187.14900	7.3
205.09085	11.5
205.12260	49.5
205.15939	25.7
205.19597	100.0
206.08121	2.5
206.12631	2.2
206.20082	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.05515	5.0
57.07063	2.3
65.03907	0.7
67.05511	4.4
68.89771	0.7
69.07068	10.5
70.88351	2.1
71.08659	0.7
79.05496	8.9
81.07058	38.8
83.08601	3.4
91.05473	3.8
93.07044	35.9
95.04988	1.2
95.08611	16.8
97.02908	2.3
97.10173	2.3
105.07026	3.8
107.08596	18.5
109.02888	2.3
109.10157	11.9
111.11698	1.8
119.08582	1.3
121.02843	1.2
121.10143	100.0
122.10480	1.7
123.11713	6.9
127.03844	0.7
135.11684	10.2
145.10201	0.7
149.02379	6.4
149.13261	25.3
159.11693	0.7
163.14815	2.5
180.38876	0.7
187.11151	1.7
205.12161	1.2
205.15857	1.2
205.19528	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	205.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00870	0.8
53.03938	1.4
55.05514	14.9
56.96558	1.0
57.03434	1.2
57.07071	5.4
58.62252	0.8
59.04985	1.7
65.03939	2.2
67.05506	47.0
67.54055	0.8
69.03434	2.2
69.07055	3.7
69.90102	2.4
69.90517	2.8
71.04984	1.6
73.06580	1.0
77.42386	0.8
79.05489	3.8
81.03416	2.4
81.07059	100.0
82.07418	1.3
83.08616	2.2
85.02911	2.6
85.06541	3.3
91.05473	4.0
93.07034	3.0
95.04984	1.0
95.08612	4.1
97.02884	6.8
97.10175	3.7
98.97582	1.7
99.04432	1.1
103.05470	1.0
105.07016	3.5
107.08603	2.3
109.02887	4.5
109.06541	1.3
109.10148	1.3
115.05467	1.2
117.07007	2.9
119.08545	1.5
121.02853	3.5
121.06512	2.2
121.10133	2.7
123.11707	60.3
127.03916	2.0
128.06313	1.0
131.05003	1.1
131.08566	2.6
133.10120	2.6
133.21030	0.8
135.08080	3.0
135.11708	1.0
137.05974	1.1
141.12747	18.5
145.06517	1.9
145.10150	3.4
147.11702	5.3
149.02350	21.1
149.05943	1.8
150.06813	1.3
159.08054	1.7
159.11705	2.6
159.13800	4.5
161.05936	1.0
163.07552	3.8
163.11200	1.5
173.05936	1.5
177.12714	1.4
187.11215	1.6
187.14813	1.4
205.05020	1.4
205.06903	1.1
205.08760	2.4
205.12338	5.3
205.14090	1.6
205.15897	3.6
211.84781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
53.93036	1.4
55.01864	4.0
55.05510	9.1
56.96542	4.5
57.03437	3.1
57.07069	12.6
58.88290	1.2
59.04987	4.5
60.04546	7.2
60.78507	1.3
61.02936	2.0
61.04857	1.5
65.03931	3.1
67.05507	14.5
69.03438	15.1
69.07076	18.2
71.04996	21.5
71.38654	3.1
73.02898	3.0
73.88244	1.5
79.05492	18.8
81.03415	10.3
81.07060	100.0
82.07375	1.3
83.05000	8.2
83.08623	3.6
85.02905	15.9
85.06557	7.0
86.03255	1.9
87.04468	3.6
91.05487	10.7
93.07043	22.0
95.04987	7.5
95.08616	12.8
97.02277	2.5
97.02893	37.8
97.06523	6.3
97.10168	1.8
98.03193	1.6
98.97579	7.9
99.04459	7.9
99.08094	4.8
101.05999	2.4
105.07024	11.2
107.04955	2.7
107.08602	22.6
109.02879	25.1
109.06509	9.0
109.10154	26.6
111.08040	2.4
111.11729	6.8
113.06036	2.9
115.05412	1.8
116.98626	9.6
117.06996	4.7
118.06529	3.9
119.01862	1.4
119.08602	2.2
120.08126	3.7
121.02858	8.3
121.04013	1.5
121.06535	9.2
121.10138	15.1
123.08086	3.1
123.11711	33.3
123.96457	1.4
125.09625	3.0
127.03927	11.9
131.04932	2.5
131.08566	6.0
133.10139	13.0
134.99608	3.8
135.11699	8.6
139.03912	2.4
139.11179	10.0
142.05603	1.4
144.08032	2.5
145.06471	4.3
145.10132	4.4
146.06055	6.8
147.08025	1.6
149.02348	66.2
149.05989	2.9
149.13261	6.6
150.02725	2.1
151.11189	24.2
157.12239	8.4
158.99675	3.4
159.08049	4.6
159.11690	4.4
161.09581	1.6
163.07643	1.3
163.11156	4.4
169.12260	12.7
173.05981	2.6
177.00716	4.9
177.09119	3.8
177.12741	5.1
187.07600	3.7
187.11214	3.3
187.13309	5.7
188.07094	7.8
190.06374	1.5
194.06967	2.5
201.00761	1.4
205.04953	4.5
205.06998	1.8
205.08804	8.7
205.12250	16.8
205.14134	3.3
205.15950	3.3
205.19470	4.2
206.08163	2.1
213.40891	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01871	4.6
55.05508	5.5
56.05035	1.7
56.96560	6.7
57.03437	3.5
57.07076	24.0
59.81907	1.2
60.04525	12.0
61.02914	4.1
61.04849	3.2
63.50536	1.1
65.03928	5.1
67.05518	7.0
68.05029	2.6
69.03432	21.1
69.05341	1.1
69.07074	10.2
70.50450	4.7
71.01393	1.2
71.05003	8.4
72.08141	2.7
73.02906	3.8
79.05484	10.5
81.03417	18.2
81.07061	40.6
83.04964	4.4
83.08610	1.4
84.04501	2.1
84.13826	1.2
85.02908	28.1
85.04822	1.7
85.06536	8.7
87.04463	3.1
91.05490	7.4
93.03387	2.8
93.07046	18.5
94.61356	1.2
95.04968	3.9
95.08591	11.7
96.04475	2.1
97.02896	59.2
97.04810	3.6
97.06512	3.5
97.10096	1.4
98.03205	5.1
98.97585	2.3
99.04455	13.1
103.05462	3.1
105.07044	7.3
107.04936	2.4
107.08608	16.1
109.02882	38.9
109.06465	2.7
109.10162	17.9
111.11771	3.1
115.05949	2.4
116.98637	4.2
117.07008	4.6
118.06557	18.1
118.08601	1.4
119.08585	3.6
120.08100	3.9
121.02864	13.4
121.04002	2.8
121.06504	11.9
121.10153	17.4
123.08083	2.2
123.11702	23.9
123.96386	1.8
127.03931	14.6
127.05877	3.4
129.06982	2.1
130.06564	2.0
131.04912	1.9
131.08563	4.8
132.04448	1.7
132.08102	6.2
133.10106	3.5
134.99615	1.9
135.04422	1.3
135.08009	3.2
135.11676	13.3
136.08762	1.8
139.03899	3.7
139.05817	1.8
139.11217	2.7
142.06573	2.0
143.07320	3.2
144.08101	10.0
145.04944	4.9
145.06467	3.6
145.10091	4.7
146.06009	43.2
146.07054	1.5
147.08049	3.1
149.02353	100.0
149.05954	2.9
149.09605	1.5
149.13281	10.7
150.02681	2.5
151.11185	6.2
157.12236	1.3
159.04347	2.2
159.08044	3.1
159.09192	5.9
159.11713	7.4
160.07489	2.5
160.08694	1.4
161.09660	2.2
162.10437	2.4
163.02791	2.1
163.04063	1.6
163.07513	1.7
163.10017	1.3
163.11168	7.2
164.08032	1.2
167.03477	2.5
169.06918	1.6
169.12222	3.5
170.05998	3.3
177.00665	1.6
177.05482	1.6
177.09077	2.5
177.12732	6.0
181.02805	3.4
181.97841	5.2
182.98293	1.4
187.06085	2.8
187.07759	3.3
187.11237	3.8
188.07065	43.8
189.57970	2.6
201.00644	2.1
205.04979	4.4
205.06879	3.1
205.08781	12.7
205.12297	20.9
205.14182	3.1
205.15862	4.4
205.19519	9.0
221.04953	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
50.14099	0.3
53.03956	0.8
55.01866	0.5
55.05514	3.0
57.07067	0.9
65.03931	0.6
67.05495	4.5
68.62757	0.4
69.03424	0.6
69.07059	4.8
69.60291	2.3
69.60707	0.7
79.05490	6.5
81.03405	1.0
81.07049	8.1
83.31600	0.4
85.02932	0.6
91.04890	0.5
91.05475	11.5
93.07037	9.9
95.04936	0.9
95.08601	4.5
97.02888	1.8
98.20821	0.9
99.04452	1.0
103.05466	1.6
104.06255	0.4
105.07027	29.1
107.04963	2.2
107.08589	18.6
108.09384	2.3
109.02869	0.5
109.06489	1.0
109.10152	2.2
111.04427	1.5
115.05453	1.4
116.06203	0.5
117.07021	12.3
119.08576	43.9
120.08920	0.8
121.06518	1.7
121.10136	3.4
121.91071	0.4
123.11709	6.6
125.05978	0.7
127.03886	0.6
127.20023	0.4
128.06198	0.6
129.06995	3.8
130.07777	2.1
131.04927	2.3
131.07576	0.7
131.08554	11.0
133.10123	7.8
135.04419	1.2
135.08028	0.7
135.11688	3.9
137.05975	0.5
141.06917	0.7
142.07774	1.4
143.08554	2.8
144.09329	5.8
145.06459	2.9
145.10120	22.5
146.07173	0.4
146.10757	0.9
147.08080	0.4
147.11716	0.6
149.02306	2.3
149.05988	4.7
149.13235	1.8
154.07729	0.7
157.10124	1.7
159.04985	0.4
159.08099	2.1
159.11687	36.2
160.12061	1.1
161.13248	30.7
162.13586	0.6
163.07547	2.7
163.11182	1.2
169.10135	1.5
172.08818	3.2
177.06075	0.9
177.12758	1.8
177.16446	0.4
182.06636	0.5
187.11172	100.0
188.11502	1.9
200.07744	0.4
205.12230	43.6
205.15863	1.2
205.18510	0.8
206.12532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
52.10939	0.5
53.03959	1.0
55.01875	0.6
55.05512	3.3
65.03949	1.2
67.05508	5.6
69.03438	0.8
69.07077	4.8
70.43556	1.9
71.04992	0.8
77.23238	0.4
79.05487	6.7
81.03457	0.6
81.07059	8.6
81.07513	0.7
83.08609	0.5
85.02921	1.0
91.05478	11.4
91.76214	0.5
93.07044	12.8
95.04949	0.8
95.08603	5.2
97.02327	0.5
97.02873	2.4
99.04438	0.9
103.05488	1.4
105.07034	28.4
106.07367	0.7
107.04951	1.8
107.07862	1.1
107.08597	21.8
108.09465	2.5
108.61839	0.4
109.02872	0.7
109.06544	0.8
109.10183	3.0
111.04428	1.2
115.05498	1.0
117.07016	14.0
119.08583	39.8
120.08891	0.5
121.02940	0.7
121.06521	2.1
121.10146	3.7
122.32471	0.5
123.08105	0.7
127.03945	0.7
128.06200	0.9
129.07007	4.0
130.07817	2.3
131.04910	1.5
131.08578	11.3
133.10109	7.1
133.10953	0.7
135.04405	1.9
135.08028	0.9
135.11671	1.2
137.05951	0.6
141.06958	0.8
142.07759	1.5
143.08578	2.8
144.09355	6.8
145.06487	3.2
145.10126	23.5
146.10918	0.7
147.11717	1.3
149.02361	3.8
149.05983	4.3
149.13251	4.0
154.07784	1.1
157.10144	2.4
158.07327	0.6
159.08072	2.2
159.11696	38.7
161.13263	25.7
161.14383	0.6
162.13528	0.6
163.07561	2.1
163.11143	1.4
167.08664	0.5
167.77350	0.6
169.10136	1.6
172.08853	3.3
177.12755	2.4
187.11189	100.0
188.11449	2.7
205.12247	39.3
205.15842	2.0
205.19185	1.0
206.12672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
51.89886	0.3
53.03943	0.9
55.01868	0.4
55.05517	0.7
56.96554	0.4
57.07083	1.6
65.03944	0.3
67.05500	0.9
69.03423	1.2
69.07069	2.5
70.63968	0.6
70.64365	0.6
71.04996	0.4
79.05492	1.4
81.03413	1.5
81.07059	1.7
85.02905	1.3
85.06541	0.7
91.05479	4.8
93.07040	6.4
95.04960	1.5
95.08611	1.2
97.02891	4.2
97.06507	0.5
99.04456	1.1
103.05458	0.5
105.07021	2.8
107.04964	4.5
107.08591	2.2
109.02894	2.3
109.10160	1.0
113.96422	0.4
117.07023	1.2
119.08585	2.6
121.02879	1.3
121.06505	11.4
121.10099	2.1
123.08080	0.3
123.11716	0.5
127.03886	1.1
131.08566	1.7
133.10126	1.3
134.03629	0.7
135.08066	0.7
135.11668	1.1
137.05946	0.6
139.03896	0.3
142.03526	0.4
144.09358	0.5
145.06462	1.0
145.10129	3.0
147.08040	0.5
147.11696	1.1
149.02362	10.3
149.05978	100.0
149.13255	1.0
150.06335	1.5
159.08040	0.8
159.11690	3.6
161.09578	0.9
161.13264	1.2
163.07538	2.1
163.11183	1.8
163.14775	0.4
177.12762	1.0
177.16452	0.5
187.11177	5.7
187.14845	1.2
190.08649	0.7
205.04829	0.4
205.06781	0.4
205.08784	1.0
205.12247	14.4
205.13956	0.8
205.15823	3.1
205.19441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
53.03938	0.9
55.05511	2.8
57.02514	0.4
57.03433	0.6
57.07056	1.1
58.94375	0.4
65.03904	0.8
67.05230	0.3
67.05508	3.9
69.03438	0.6
69.06767	0.5
69.07069	4.6
70.42809	1.6
71.04990	0.6
73.70645	0.5
77.03979	0.4
79.05486	5.6
81.03409	1.3
81.07056	7.7
83.08627	0.7
85.02898	1.2
91.05477	9.3
91.06012	0.7
93.07042	10.3
95.04958	1.9
95.08604	3.4
96.04525	0.5
97.02892	3.8
99.04458	0.9
103.05443	1.2
105.07027	27.3
106.07374	0.6
107.04951	1.5
107.07860	1.0
107.08588	16.7
108.09383	1.7
109.02868	2.6
109.10149	1.4
111.04409	1.1
115.05417	0.9
116.23588	0.5
117.06210	0.8
117.07011	12.9
119.08574	41.1
120.08855	0.7
121.02866	0.7
121.06483	1.8
121.10134	4.0
123.11720	0.5
125.05933	0.6
127.05772	0.7
128.06192	1.1
129.06992	4.6
130.07816	2.9
131.04901	2.3
131.08562	11.1
133.06419	0.6
133.10129	8.3
135.04420	1.8
135.08055	0.6
135.11707	1.3
137.05908	0.5
141.06999	0.6
142.07767	0.8
142.59717	0.4
143.08595	3.2
144.09351	5.8
145.06456	3.3
145.10120	23.4
146.07225	0.5
146.10841	1.0
147.11705	1.0
148.22745	0.4
149.02345	4.5
149.05975	4.6
149.09607	0.5
149.13284	2.0
151.07561	0.5
154.07764	0.9
155.84813	0.5
157.10146	2.0
158.07233	0.6
159.04979	1.0
159.08043	1.7
159.11687	32.6
160.12082	0.8
161.13251	28.4
162.13600	0.9
163.07518	2.1
163.11148	1.1
169.10175	1.3
172.08841	3.2
177.06107	1.4
177.12828	2.1
182.06644	1.3
187.11174	100.0
188.11502	2.8
200.07683	1.3
205.12231	39.2
205.19353	0.9
206.12636	1.4
223.09262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.07074	0.7
60.04524	0.5
64.73795	0.3
65.03934	0.4
69.03436	0.4
71.57417	0.7
74.02440	1.4
81.03385	0.5
83.54980	0.4
85.02898	0.6
91.05470	1.2
97.02885	0.8
109.02857	0.5
115.05444	2.0
117.05764	0.7
117.07021	1.8
118.06546	29.8
127.03967	0.5
130.06514	2.4
130.97572	0.4
132.07196	0.6
132.08105	9.2
142.06503	3.3
143.07295	4.6
144.04436	0.7
144.08087	16.7
146.06012	79.6
147.06345	0.9
149.02333	2.9
159.09195	9.6
160.07610	2.0
170.06012	6.0
177.00240	0.4
188.07069	100.0
189.07468	1.8
205.09706	1.8
214.55141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02376	0.3
53.03938	0.8
55.01862	0.8
55.05502	3.0
57.03434	0.5
57.07076	0.6
65.03955	0.8
65.50600	0.3
67.05501	4.7
69.03416	0.5
69.07065	4.2
69.62777	2.2
77.03933	0.5
79.05488	6.6
81.03405	0.9
81.07053	7.7
83.04997	0.4
83.08605	0.4
85.02916	0.8
89.96668	0.3
91.05476	11.5
93.07037	9.6
95.04967	1.3
95.08609	4.4
97.02891	1.6
97.06541	0.4
98.20747	0.6
99.04442	0.4
103.05460	1.6
104.06236	0.4
105.07027	30.4
106.07344	0.6
107.04951	1.7
107.08592	17.3
108.09393	2.1
109.02853	1.0
109.06527	0.7
109.10164	1.6
110.10533	0.3
111.04440	1.2
115.05452	1.2
116.06269	0.4
116.94070	0.3
117.07012	13.9
117.59124	0.3
119.08577	45.7
120.08910	0.9
120.51642	0.3
121.02861	0.3
121.06507	1.6
121.10140	3.2
123.11666	0.5
125.05963	0.4
128.06253	1.3
129.06999	4.4
130.07787	2.9
130.41193	0.3
131.04918	2.7
131.07579	0.6
131.08566	12.4
132.09251	0.3
133.06502	0.5
133.10124	9.0
135.04370	1.4
135.08080	1.0
135.10779	0.3
135.11687	1.2
137.05936	0.4
141.06978	0.7
142.07838	1.5
142.98445	0.3
143.08572	4.0
144.09338	7.8
145.06471	3.6
145.10115	24.9
146.10715	1.0
147.08038	0.4
147.11688	0.6
148.11913	0.4
149.02330	2.7
149.05974	4.4
149.13295	1.6
151.07646	0.3
154.07826	0.8
157.06567	0.4
157.10120	2.3
158.07298	1.0
159.08090	1.9
159.11687	38.2
160.12045	0.9
161.13248	27.2
162.05962	0.3
162.13626	0.6
163.07565	2.8
163.11223	0.9
169.10135	1.0
172.08829	3.5
177.12827	1.9
182.06725	0.4
185.80978	0.3
187.11176	100.0
187.60806	0.3
188.11522	2.1
205.12234	38.5
205.18710	1.0
206.12613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01871	0.9
55.05508	1.5
56.05027	2.4
60.04530	6.4
61.02930	8.1
67.05512	1.5
68.05031	2.7
69.03426	4.4
69.07057	1.4
70.06587	1.5
71.05013	1.3
72.04497	1.3
79.05447	0.9
80.05026	1.7
81.03413	4.0
81.07056	2.5
82.32462	0.8
83.04990	1.0
83.99280	0.8
84.04506	100.0
85.02894	2.2
94.93828	0.8
95.08589	1.7
96.04491	20.6
96.08945	1.0
97.02905	7.0
98.06062	11.2
99.04462	1.6
105.07042	3.3
106.07369	1.3
108.04491	1.2
108.08978	1.5
108.97049	0.8
109.02891	6.9
109.10158	1.1
110.06092	1.1
110.10502	1.1
114.05526	4.3
119.08578	1.7
120.08891	1.5
124.03957	0.9
126.05518	94.6
127.03914	3.4
127.05887	1.1
128.96439	0.9
133.10204	1.0
138.05505	87.0
139.05820	0.9
144.06563	24.1
147.11702	1.0
148.12039	3.4
149.02344	1.7
162.07742	0.8
168.06570	12.3
185.96887	0.8
186.07607	5.5
189.11536	0.9
204.08693	15.4
204.10394	1.1
204.13809	6.2
204.18314	6.4
213.19612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01871	0.9
55.05508	1.5
56.05027	2.4
60.04530	6.4
61.02930	8.1
67.05512	1.5
68.05031	2.7
69.03426	4.4
69.07057	1.4
70.06587	1.5
71.05013	1.3
72.04497	1.3
79.05447	0.9
80.05026	1.7
81.03413	4.0
81.07056	2.5
82.32462	0.8
83.04990	1.0
83.99280	0.8
84.04506	100.0
85.02894	2.2
94.93828	0.8
95.08589	1.7
96.04491	20.6
96.08945	1.0
97.02905	7.0
98.06062	11.2
99.04462	1.6
105.07042	3.3
106.07369	1.3
108.04491	1.2
108.08978	1.5
108.97049	0.8
109.02891	6.9
109.10158	1.1
110.06092	1.1
110.10502	1.1
114.05526	4.3
119.08578	1.7
120.08891	1.5
124.03957	0.9
126.05518	94.6
127.03914	3.4
127.05887	1.1
128.96439	0.9
133.10204	1.0
138.05505	87.0
139.05820	0.9
144.06563	24.1
147.11702	1.0
148.12039	3.4
149.02344	1.7
162.07742	0.8
168.06570	12.3
185.96887	0.8
186.07607	5.5
189.11536	0.9
204.08693	15.4
204.10394	1.1
204.13809	6.2
204.18314	6.4
213.19612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01863	1.1
55.05513	1.2
56.05029	2.9
56.96572	1.0
60.04531	7.1
61.02930	8.4
67.05513	1.6
68.05031	2.4
69.03432	2.9
69.07069	1.7
70.06593	1.9
70.07402	0.5
70.33319	1.9
72.04494	1.0
76.61356	0.5
79.05525	0.6
80.05021	1.9
81.03427	4.3
81.07068	2.0
82.07398	0.9
83.01359	1.0
83.04984	0.7
83.08623	0.5
84.04507	100.0
84.08912	0.5
85.02911	2.2
86.06084	0.6
89.71967	0.5
91.05486	1.4
92.05827	1.3
93.07056	1.5
94.07389	1.1
95.08596	3.1
96.04495	18.4
96.08961	2.3
97.02898	7.7
98.06064	10.5
99.04475	1.9
100.04028	0.8
101.02421	0.6
105.07024	3.2
106.07368	4.1
107.08622	1.1
108.04468	1.3
108.08955	1.6
109.02882	5.2
109.10162	2.3
110.06087	0.7
110.10536	1.1
114.05558	3.2
117.07029	0.7
119.08579	1.9
120.08900	2.9
121.10144	0.9
122.10513	1.2
124.03962	1.1
124.12019	0.6
126.05521	96.8
127.03901	3.3
127.05929	0.7
133.10124	1.5
134.10480	3.1
135.11674	0.6
138.05508	82.8
139.05867	0.5
144.06566	25.5
145.04988	0.6
145.06737	0.6
145.10170	0.7
147.11676	3.4
148.12024	9.6
149.02351	1.8
156.06514	0.9
161.13243	0.7
162.13614	1.7
167.07076	0.5
168.06560	11.6
176.15227	0.6
179.84045	0.5
186.07642	6.1
186.13504	0.5
204.06935	1.1
204.08707	14.7
204.10609	0.9
204.13870	5.0
204.18317	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.52757	0.8
55.05514	8.0
57.07058	2.8
60.04528	1.0
67.05505	11.8
69.07063	11.2
70.91242	1.9
70.91573	1.1
73.99500	0.9
77.22340	0.8
79.05507	5.5
81.07063	23.9
83.08616	3.4
84.04472	1.5
91.05479	14.2
92.58270	0.9
93.07045	11.8
95.07985	1.3
95.08607	33.3
97.10162	2.2
105.07031	70.1
107.08600	14.4
109.10155	27.8
109.10703	0.7
117.06992	1.5
119.08584	48.0
121.10147	13.5
123.11706	9.1
126.05547	1.6
129.07065	1.7
131.08591	4.6
133.10132	36.3
135.11674	2.4
145.10103	5.0
146.10791	0.9
147.11688	63.6
148.27907	0.9
157.10115	1.7
159.11681	1.8
160.12482	3.6
161.13243	21.3
174.14011	2.1
175.14790	6.4
185.13248	1.4
203.07082	3.8
203.10635	1.4
203.14281	2.8
203.17957	100.0
204.08759	1.2
204.18224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0866
Annotation	N-(methoxyacetyl)-4-hydroxyproline
Peak:m/z	Relative Intensity
55.01873	1.9
57.03414	3.9
60.04526	100.0
61.02917	7.6
61.31394	1.6
63.67672	1.9
68.05021	20.1
69.03420	5.6
70.06577	2.4
71.04981	2.3
71.38892	2.0
72.04501	2.2
73.02914	5.9
79.90913	1.6
81.03409	2.3
84.04501	26.8
85.02901	16.6
86.90929	9.1
87.09221	3.1
96.04489	47.7
97.02892	48.0
98.06037	6.5
99.04446	5.3
100.04033	1.9
109.02884	2.2
110.06050	11.8
114.05528	52.9
118.08647	11.7
119.01921	4.8
124.03893	2.0
126.05518	41.5
127.03913	7.8
128.07092	4.4
131.01923	1.9
133.03398	1.6
138.05505	17.6
144.06537	4.5
145.04926	5.8
150.05438	2.6
153.08228	1.8
156.06531	6.9
161.02942	3.7
162.03198	3.5
168.06566	20.0
173.02902	4.8
185.02992	2.8
186.07625	10.1
204.05669	3.3
204.08672	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05510	7.4
57.07050	1.8
60.04511	1.0
67.05502	11.8
69.07070	19.9
69.39974	9.1
76.34608	0.9
78.12762	0.9
79.05485	5.9
81.07059	23.3
83.08607	3.6
87.98849	0.9
91.05474	16.5
93.07032	13.4
95.08610	30.6
97.10146	1.4
105.07032	59.9
107.08592	20.4
109.10152	26.3
109.48341	0.9
117.07016	2.2
119.08581	42.3
121.10143	14.3
123.11737	6.2
131.08586	3.6
133.10133	38.7
134.63004	0.9
135.11687	2.7
140.52359	0.9
143.08620	1.3
145.10149	7.6
147.11687	86.8
148.12061	1.1
157.10117	1.2
159.11694	3.1
160.12469	5.9
161.13260	19.9
165.95227	1.1
175.14833	8.0
203.17963	100.0
204.18280	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.92269	1.5
55.05496	6.0
57.07071	1.8
58.36311	1.6
67.05512	12.5
69.07076	13.6
71.56982	2.6
79.05482	5.0
81.07061	24.3
83.06097	1.5
83.08633	3.4
85.46965	1.3
91.05479	11.0
93.07036	10.2
95.08605	35.8
97.58247	1.3
105.07035	50.4
107.08593	15.0
109.10158	29.7
119.08583	43.7
121.10140	14.4
123.11696	6.5
131.08577	5.0
133.10138	36.6
135.11679	2.7
145.10118	5.9
146.10912	1.5
147.11691	73.1
159.11603	2.9
160.12465	3.6
161.13277	24.0
175.14844	4.3
193.64445	1.2
201.34747	1.5
203.10646	2.6
203.17953	100.0
204.18260	2.1
212.17905	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.38015	0.5
54.79185	0.5
55.05509	5.6
57.07069	1.1
60.17811	0.4
65.03935	0.7
67.05506	10.0
69.07069	15.0
69.61159	3.2
69.61575	0.8
74.17014	0.5
79.05498	7.6
81.07057	26.3
83.08614	3.2
91.05483	16.3
91.06068	0.5
93.07044	13.7
95.04961	0.8
95.08608	23.0
97.10175	0.9
105.07030	47.9
107.08593	18.6
107.53654	0.5
109.06519	0.5
109.10155	21.1
117.07040	2.2
119.08584	38.1
121.10149	14.5
123.11706	6.2
129.06973	0.6
131.08568	3.5
133.10132	33.2
135.11664	3.0
140.07024	0.5
145.10129	7.4
146.10844	0.6
147.11685	69.2
148.12021	0.9
159.11685	3.2
160.12471	7.8
161.13254	20.0
175.14828	4.5
203.17955	100.0
204.08554	0.6
204.18300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05512	6.5
57.07069	2.5
58.63438	1.0
59.88356	1.4
67.05500	14.6
69.07066	15.8
72.31761	0.9
76.89610	1.0
79.05491	8.0
81.07061	32.8
83.08620	3.3
91.05482	17.5
93.07053	17.1
95.08611	36.2
105.07034	66.7
107.08597	19.8
108.74919	1.2
109.10158	33.4
114.07658	1.1
117.06976	1.8
119.08579	44.7
121.10134	15.1
123.11716	13.1
131.08548	3.6
133.10136	36.3
135.11696	4.1
142.31187	1.0
145.10115	6.2
147.11690	88.9
148.12083	1.2
159.11697	1.9
160.12437	4.3
161.13272	21.0
174.49173	1.1
175.14821	6.0
188.15556	1.3
198.28146	1.0
203.17963	100.0
204.18262	1.7
220.21860	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05518	7.3
56.66369	0.9
57.07066	1.9
60.04510	1.2
60.57000	0.8
61.33198	0.8
67.05169	1.2
67.05504	12.1
69.06718	1.1
69.07066	12.4
70.84322	2.6
79.05489	5.0
81.07059	23.7
83.08624	2.2
84.04507	2.9
91.05477	15.8
93.07041	12.2
95.08611	39.4
96.04477	1.3
97.02874	1.9
97.10142	1.3
105.07033	47.6
107.08597	16.9
109.10159	30.7
110.06039	0.8
117.07037	2.3
119.08581	40.8
121.09324	1.2
121.10149	15.1
121.11008	0.9
123.11717	8.0
126.05498	3.0
131.08591	4.6
133.10133	37.2
135.11661	3.7
144.06546	1.0
145.10141	4.8
147.11690	64.0
148.11990	1.2
157.10118	1.9
159.11678	4.1
160.12497	2.8
161.09674	1.2
161.13274	18.2
175.14793	4.6
185.13237	1.3
203.10703	1.8
203.14391	7.6
203.17960	100.0
204.08598	2.4
204.18300	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.63261	0.8
55.05509	10.4
57.07067	2.4
65.03927	0.9
67.05508	15.1
69.07072	11.8
70.33847	2.9
70.34209	1.6
79.05495	4.3
81.07061	14.3
83.08626	8.7
89.17740	0.9
91.05487	11.5
91.34866	0.9
93.07037	8.5
95.08615	61.3
97.10178	1.1
105.07037	30.9
107.08599	17.0
109.10163	23.4
109.10921	1.2
117.07007	1.5
119.08588	43.0
121.09316	1.6
121.10154	27.9
123.11716	5.1
131.08583	3.1
133.10139	48.5
135.11705	6.0
145.10150	5.5
145.11133	0.8
147.11696	58.8
159.11699	3.5
160.12460	1.5
161.13263	20.1
173.13303	2.2
174.14055	2.0
175.14832	5.8
203.17975	100.0
204.18326	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.92187	1.1
55.05516	8.4
57.07059	2.7
60.04510	3.3
67.05173	1.5
67.05505	20.6
69.07080	14.4
70.00372	4.7
79.05499	8.7
81.07059	28.1
83.08612	3.3
84.04500	3.5
91.05476	13.4
93.07050	15.7
94.78825	1.0
95.08614	53.7
96.04455	1.4
96.08970	1.1
97.02900	1.5
97.10149	1.7
98.21487	1.5
105.07036	56.2
107.08601	21.3
109.06536	1.5
109.10160	51.1
115.05381	2.0
117.07016	1.9
119.08585	44.5
121.10126	14.3
123.11707	10.3
126.05508	4.9
129.07034	2.5
131.08572	4.6
133.10136	38.2
135.11667	4.4
138.05478	3.4
142.07816	1.8
143.08539	1.5
145.10098	5.5
147.08014	1.4
147.11691	76.7
157.10063	2.2
159.11772	2.2
160.05202	1.3
160.12457	2.7
161.13258	18.5
168.33957	1.3
175.07567	2.2
175.14841	6.5
185.13164	1.0
203.07043	8.6
203.10645	2.2
203.14331	5.8
203.17961	100.0
204.08690	1.7
204.18288	2.1
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	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03931	0.9
55.05266	0.7
55.05512	10.6
57.07057	2.6
57.87500	0.7
67.05502	12.0
69.07072	11.8
70.31505	1.9
70.31896	1.5
77.03938	0.8
79.05492	6.2
81.06581	1.0
81.07057	18.6
83.08618	7.8
84.04497	1.0
91.05484	13.0
93.07040	11.2
95.04986	0.9
95.08607	63.1
97.10175	1.2
98.20889	0.7
103.05435	0.9
105.07029	33.7
107.08592	21.5
109.06595	0.8
109.10154	24.9
112.72981	0.7
117.06991	1.1
119.08579	49.6
120.44691	0.7
121.10143	26.6
123.11719	6.4
126.05406	0.8
131.08560	3.3
133.06561	0.8
133.10124	52.8
135.11693	4.6
142.07759	1.6
143.08626	0.8
145.10121	5.5
147.11681	60.4
148.12079	1.4
157.10146	3.0
159.11684	4.6
160.12469	1.9
161.02112	0.8
161.09636	1.5
161.11961	1.5
161.13245	20.1
173.13231	1.3
174.13892	1.0
175.11281	0.9
175.14862	5.7
185.09604	2.0
188.87160	0.7
203.07689	0.8
203.10683	2.7
203.14244	3.6
203.17950	100.0
204.18260	1.0
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	Tenuifolene
Peak:m/z	Relative Intensity
53.03952	1.0
55.05511	6.2
57.07064	2.7
60.04514	0.9
60.54729	0.9
67.05497	11.0
69.06725	1.3
69.07066	15.6
70.06937	5.2
70.07316	2.0
79.05474	5.2
81.07050	28.6
83.08598	2.8
84.04499	1.7
91.05472	17.3
93.07032	14.9
95.08600	33.9
96.04502	1.5
97.02879	2.1
97.10138	1.3
105.07027	55.4
107.07868	1.2
107.08589	18.3
109.10149	28.9
114.05508	1.6
117.07015	1.9
119.08575	39.2
121.09313	1.3
121.10138	17.1
123.11691	7.5
126.05489	4.2
131.08531	3.0
133.10126	34.7
135.11652	3.2
142.07761	1.4
143.08577	1.4
145.10077	5.6
147.11674	83.4
155.18951	1.2
157.10109	2.0
159.11699	3.2
160.12498	5.5
161.13251	19.4
175.14810	4.7
185.09743	1.4
185.13266	1.0
203.07068	2.4
203.10634	3.3
203.14316	4.4
203.17943	100.0
204.08704	2.6
204.18248	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05511	6.8
57.07059	5.6
67.05504	11.4
69.07068	14.8
70.21999	5.7
70.74136	1.4
79.05472	4.3
81.07059	22.7
83.08617	5.5
87.73862	1.3
91.05484	10.5
93.07050	12.1
95.08605	35.0
97.10162	2.0
103.05445	1.5
105.07032	98.5
107.08597	16.7
109.09464	1.8
109.10159	25.3
111.35810	1.1
116.39484	1.1
117.07011	2.5
119.08585	50.0
121.10148	13.6
122.45431	1.4
123.11684	7.6
131.08543	6.9
133.10129	37.3
135.11658	3.6
135.41844	1.3
143.18001	1.2
145.10107	6.0
147.11688	76.7
159.11621	1.8
160.12505	2.9
161.13248	25.4
175.14784	5.8
203.17955	100.0
204.18329	2.8
221.90652	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03924	1.0
55.05511	10.1
55.65717	0.9
57.07063	2.9
57.54496	0.8
65.03952	1.1
67.05182	1.4
67.05511	19.7
69.07071	25.2
69.98994	4.6
79.05505	12.2
81.07061	41.9
83.08627	4.6
84.31803	0.9
91.05486	27.7
93.07054	23.5
94.80503	0.8
95.04984	1.8
95.08612	35.8
97.02901	0.9
97.10176	1.7
105.07035	75.8
105.80403	0.9
107.08601	24.0
109.10163	29.6
109.10931	1.6
117.07049	3.3
119.08587	57.2
121.10151	19.1
123.11720	8.3
131.08592	5.4
132.09293	1.2
133.10135	51.3
135.11693	3.0
145.10132	11.5
147.11696	100.0
148.12195	0.9
159.11707	5.3
160.12473	7.5
161.13266	29.0
161.14618	1.7
164.06015	0.9
174.13956	1.0
175.14841	3.1
184.05708	0.9
203.17969	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.07629	0.8
55.05524	5.2
57.07069	1.4
67.05168	1.4
67.05505	14.4
69.07072	16.5
76.07613	0.8
79.05498	10.8
81.07059	34.1
83.08627	4.6
91.05489	12.3
93.07056	14.4
95.08612	50.5
96.08925	1.1
97.10171	1.4
105.07035	31.2
106.07335	1.4
107.08601	32.9
109.10165	38.0
110.10494	0.9
114.36870	0.8
117.06941	0.8
119.08588	28.5
121.10147	18.9
123.11726	8.1
125.87589	1.0
131.08559	1.8
133.10139	31.9
135.11696	4.6
139.42195	0.8
145.10098	3.7
147.11696	61.0
159.11690	1.9
160.12498	1.1
161.13266	15.1
175.14786	5.5
203.17966	100.0
204.18317	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.36229	0.8
53.03938	1.2
55.05310	0.7
55.05512	7.9
57.07059	1.7
67.05505	13.0
69.06724	1.0
69.07068	12.0
70.00685	0.7
70.15692	1.8
70.16094	1.5
79.05478	4.1
81.07056	13.1
82.38552	0.7
83.08622	5.9
89.21960	0.8
91.05479	10.9
93.07056	8.0
95.08608	60.9
96.40409	0.8
97.10160	1.5
105.07037	27.3
107.08595	17.0
109.10160	21.8
117.07013	2.0
119.08582	40.9
121.09315	1.4
121.10152	23.2
123.11721	5.7
131.08568	2.2
133.10135	47.4
135.11659	5.4
145.10121	5.8
147.11691	50.3
159.11682	3.9
160.12448	1.9
161.13266	20.0
165.72549	0.8
173.13292	1.6
174.14017	1.9
175.14856	5.0
188.15634	0.9
203.17958	100.0
204.18251	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05500	5.6
63.09358	1.3
67.05505	9.9
69.07073	17.2
71.46887	2.2
79.05490	7.9
81.07056	27.4
83.08637	1.6
91.05482	16.5
93.07052	13.4
95.08611	25.5
103.82789	1.3
105.07030	47.9
107.08595	16.8
107.25170	1.4
109.10156	25.2
117.07031	3.3
119.08584	40.6
121.10132	16.0
123.11688	4.3
131.08578	3.2
133.10132	32.0
135.11679	2.6
145.10156	7.3
147.11682	72.8
159.11678	3.5
160.12463	6.9
161.13248	21.7
175.14809	4.2
188.15463	1.4
203.17957	100.0
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	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03934	1.2
53.70581	0.7
55.05514	5.1
57.07066	1.7
59.56883	0.6
67.05499	6.9
69.07067	15.9
69.82997	4.7
69.83366	0.6
78.01053	0.8
79.05484	5.1
81.06579	1.3
81.07055	26.8
83.08608	3.4
91.05470	10.7
91.57143	0.8
93.07049	10.5
95.04984	0.9
95.08605	20.5
97.10180	1.1
98.20813	1.2
101.15858	0.7
103.05471	0.7
105.07028	42.8
107.08591	11.7
109.10157	16.3
117.06999	2.8
119.08576	31.2
121.10135	12.4
123.11703	6.3
129.06987	1.6
130.07776	0.7
131.08548	3.9
133.10129	30.6
135.11676	2.8
142.07782	4.4
143.08563	3.6
144.09509	0.8
145.06448	0.8
145.10117	8.1
147.11684	76.7
148.12067	1.2
157.10136	7.8
159.11664	4.1
160.08931	0.8
160.12476	7.4
161.00064	0.7
161.09619	2.9
161.13258	17.9
174.14050	0.8
175.11189	1.0
175.14780	3.1
185.09578	4.5
203.10640	5.6
203.14310	3.8
203.17952	100.0
204.18304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05515	6.4
57.07071	6.7
67.05497	10.3
68.02062	1.0
69.07067	12.9
69.90247	4.1
69.90659	1.8
79.05501	5.8
81.07058	19.1
83.08603	3.4
91.05476	13.6
93.07038	11.5
95.08608	22.5
98.21482	1.8
103.05446	1.2
105.07027	100.0
106.07383	1.2
107.08593	11.6
109.10157	22.5
117.06993	2.1
119.08579	42.0
121.10131	10.6
123.11706	5.8
131.08557	3.0
133.10126	30.2
135.11697	3.6
145.10132	4.1
147.11684	68.5
159.11720	2.1
160.12482	2.5
161.13243	17.8
163.81340	1.1
175.14819	10.3
203.17953	64.7
204.18217	1.3
221.98381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05509	5.5
57.07063	1.5
67.05509	10.0
69.06725	1.1
69.07069	9.3
79.05496	5.0
81.07062	20.1
83.08589	2.6
91.05468	10.1
93.07050	8.7
93.98276	0.9
95.08610	40.7
95.75539	0.8
97.10207	1.2
105.07033	43.2
107.08596	16.9
109.10155	30.7
117.06998	1.5
119.08582	36.0
121.10150	13.5
123.11719	8.1
126.05463	0.8
131.08540	5.1
133.10138	32.8
135.11688	2.7
145.10114	5.6
147.08025	1.1
147.11691	52.9
148.21431	0.8
159.11681	3.3
160.12483	3.1
161.13269	18.4
175.07607	1.6
175.14767	3.9
185.09612	0.9
203.07005	7.6
203.10675	2.7
203.14238	2.5
203.17963	100.0
204.08736	1.6
204.13805	1.0
204.18298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.86164	0.5
55.05508	7.7
57.07063	2.4
67.05172	0.8
67.05504	10.5
67.05856	0.5
69.07070	9.1
70.14994	2.0
70.15391	0.7
79.05486	3.3
81.07057	10.7
83.08614	6.6
91.05480	7.2
93.07046	6.4
95.04929	0.5
95.08605	59.0
96.08920	0.9
97.10150	1.3
105.07030	22.0
107.08590	15.2
109.10151	21.4
117.07005	1.2
119.08580	36.9
121.10144	25.4
123.11710	5.8
127.89407	0.5
129.30057	0.6
131.08560	1.9
133.10127	44.7
134.10448	0.9
135.11687	5.3
145.10107	3.3
146.10858	1.1
147.11684	47.4
159.11697	3.4
160.12494	2.0
161.13249	19.4
164.34711	0.6
173.13203	1.4
174.13985	1.0
175.14825	4.9
177.94299	0.6
188.15610	0.8
203.17949	100.0
204.18343	1.4
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
55.05507	7.2
57.07051	1.7
58.90251	0.7
59.39771	0.7
63.74345	0.6
67.05502	11.1
69.07069	7.9
70.75082	2.0
79.00572	0.6
79.05500	3.3
81.07058	9.0
83.08601	4.1
91.05469	8.0
93.07047	6.2
95.08605	53.8
97.10146	1.4
105.07027	21.8
107.08594	14.5
108.90770	0.7
109.10155	20.3
112.12525	0.7
112.85279	0.6
113.15711	0.7
117.06956	1.2
119.08578	34.5
121.10141	21.6
123.11687	3.7
125.43419	0.6
126.17049	0.7
131.08554	2.3
132.09335	0.8
133.10130	38.9
135.11708	5.0
145.10127	2.8
147.11684	41.6
159.11676	2.1
160.12421	1.5
161.13269	16.2
173.13266	1.2
174.14134	1.0
175.14799	4.5
199.29112	0.7
203.17950	100.0
204.18300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03944	0.8
55.05514	6.0
55.05738	1.0
57.07066	2.4
67.05502	10.6
69.07065	11.4
70.86924	1.4
70.87280	2.1
79.05491	5.8
81.07057	28.1
83.08614	3.4
90.62594	0.7
91.05469	11.0
93.07042	13.8
95.08604	39.0
97.10179	1.9
105.07030	68.0
107.08590	19.1
109.10155	31.6
109.10918	1.1
117.07027	1.9
119.08582	36.3
121.10155	14.0
123.11700	7.4
131.08557	2.8
133.09105	1.4
133.10124	31.7
135.11708	4.2
145.10124	4.5
147.11684	69.6
157.10107	1.1
159.11694	3.0
160.12463	3.0
161.13237	18.1
175.14816	5.6
190.22696	0.9
203.17955	100.0
204.18349	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05517	5.8
57.07067	1.9
59.36261	0.6
65.44571	0.7
67.05514	11.0
69.07070	11.5
70.01242	2.8
79.05497	3.5
81.07062	15.8
83.08607	5.5
89.15266	0.6
91.05486	9.5
93.07046	7.7
95.08614	45.4
97.10136	1.0
105.07039	30.0
107.08597	16.1
109.10164	22.4
110.56487	0.7
115.05464	0.7
117.07019	2.2
119.08587	38.2
121.10149	19.1
123.11743	4.9
130.32060	0.7
131.08578	1.5
133.10138	39.4
134.10899	0.9
135.11708	3.8
143.08601	1.6
145.10146	5.5
147.11699	51.1
159.11705	2.8
160.12460	2.9
161.13252	16.5
173.13171	0.9
174.85193	0.8
175.14842	5.7
203.17969	100.0
204.18222	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.68046	1.1
55.05503	8.6
56.23206	1.1
57.07062	2.4
60.04515	1.2
65.03937	1.7
67.05503	14.3
69.07060	17.4
69.74067	3.0
69.74495	4.3
79.05490	10.3
81.07054	36.8
83.08609	3.8
83.21118	1.2
91.05475	21.6
93.07043	16.5
95.08604	37.7
97.10152	1.1
101.09365	1.4
102.41470	1.1
105.07032	54.9
107.08594	20.2
109.10158	32.6
117.07021	1.6
119.08575	47.1
121.10152	19.0
123.11707	10.0
131.08551	3.6
133.10124	36.3
135.11685	6.0
145.10124	5.8
147.11685	96.0
157.10191	1.2
158.24539	1.1
159.11699	3.4
160.12483	4.1
161.13254	21.6
175.14809	6.4
203.17952	100.0
204.08632	1.6
222.16855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03938	1.5
55.01873	2.2
55.05506	10.1
57.03431	1.8
57.07072	2.3
60.04528	9.2
61.02933	1.1
65.54761	0.9
67.05511	17.7
68.05010	1.9
69.03431	2.1
69.07069	13.2
69.27599	8.8
69.28024	3.3
71.04993	1.4
72.08152	1.1
79.05497	10.1
81.07063	33.1
83.04978	2.3
83.08626	3.2
84.04491	5.7
85.02909	2.6
91.05492	19.1
92.07475	1.0
93.07050	20.5
95.04973	2.4
95.08615	48.8
96.04526	2.0
97.02879	5.6
97.06533	1.5
97.10171	1.5
98.21479	1.4
103.05477	1.5
105.07035	50.2
106.07352	1.0
107.04969	2.5
107.08596	27.8
109.06551	2.1
109.10162	38.8
110.06069	1.6
114.05532	3.7
114.62049	1.1
115.05458	3.7
117.07011	7.5
118.15925	1.0
119.01939	1.5
119.08585	47.6
121.06490	1.1
121.10148	18.4
123.11720	14.2
126.05508	6.7
128.06223	5.9
129.06993	11.4
131.08565	6.6
132.05798	1.3
133.06517	5.9
133.10136	36.2
134.99619	1.2
135.11719	4.0
141.07039	2.5
142.07794	11.9
143.04942	1.3
143.08583	6.5
144.05614	1.6
145.06491	4.0
145.10114	10.3
147.04443	1.2
147.08040	5.5
147.11697	62.0
148.12192	1.1
151.07533	1.6
152.06161	1.2
157.06549	7.9
157.10114	7.6
159.08049	2.5
159.11685	6.3
160.05177	3.0
160.12454	2.7
161.02994	1.0
161.06021	1.4
161.09648	3.8
161.13292	19.5
167.08546	1.7
170.07236	5.9
170.10925	2.0
171.08047	1.2
173.06007	2.0
173.13245	1.5
175.07501	6.1
175.11224	7.2
175.14832	8.4
185.06046	2.5
185.09619	17.8
185.13228	8.4
188.04677	1.9
203.03493	1.8
203.07034	10.8
203.10675	17.9
203.14359	16.5
203.17970	100.0
204.06964	1.2
204.08698	7.2
204.13869	2.8
204.18184	1.7
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	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03949	0.9
55.05506	4.7
57.07062	1.4
62.13665	0.8
66.13996	0.8
67.05507	5.4
69.07070	7.9
69.28454	10.2
79.05493	3.9
81.07058	16.7
83.08620	2.0
90.79369	0.8
91.05482	10.0
93.07029	7.9
95.08602	18.7
103.05489	0.9
105.07029	50.4
107.08599	10.2
107.10442	0.8
109.10148	11.8
117.06976	1.0
119.08578	27.0
121.10142	12.2
122.46185	0.8
123.11705	4.0
131.08563	3.4
133.10132	26.4
135.11658	2.8
145.10120	5.8
147.11684	66.0
159.11729	4.6
160.12460	3.3
161.13261	20.1
175.14804	3.4
185.13257	0.8
203.17952	100.0
204.18248	1.2
205.91411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
53.03950	0.9
55.05513	5.2
57.07064	1.2
61.69776	0.7
67.05183	0.9
67.05510	10.8
69.07068	9.3
70.06886	3.9
70.07230	0.7
79.05492	6.3
81.07058	13.6
83.08604	2.8
91.05479	18.4
93.07050	9.2
95.08615	27.3
105.07034	43.0
107.08602	15.6
109.10156	21.9
114.79966	0.8
117.07017	1.5
119.08582	33.2
121.10150	11.6
123.11679	5.7
131.08591	2.0
133.10136	22.3
135.11711	1.7
143.08510	1.1
145.10106	3.8
147.11691	78.7
157.10135	2.0
159.11746	1.7
160.12477	0.9
161.13260	12.4
175.14835	2.6
203.17963	100.0
204.18312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
52.11007	0.9
55.05511	4.6
67.05175	1.2
67.05505	18.6
69.07059	6.0
69.81606	6.4
72.42610	0.9
79.05480	7.5
81.07057	16.8
83.08633	1.3
86.11533	0.8
91.05476	17.4
93.07042	13.9
95.08606	75.2
96.08967	0.9
97.10130	0.9
102.59793	0.8
105.07029	30.4
107.08595	73.1
109.06524	1.3
109.10157	27.4
114.43593	0.8
119.07795	1.8
119.08582	19.9
121.10139	15.6
123.11682	4.2
123.12500	0.9
133.10136	17.0
135.11682	1.7
140.70743	0.8
143.08617	0.9
145.10138	2.4
147.11687	63.1
154.79741	0.9
157.10097	2.3
161.09595	1.0
161.13255	8.2
175.14847	5.3
176.82356	0.9
176.86395	0.9
197.76427	0.9
203.17953	100.0
204.18275	1.6
210.13623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03954	1.6
55.05513	6.1
61.43444	1.0
64.78796	0.8
67.05175	1.2
67.05505	12.6
69.07068	11.2
69.78620	0.9
79.05495	5.3
81.07063	27.3
83.08599	2.4
84.04515	1.2
91.05482	13.9
93.07043	18.0
95.04967	1.1
95.08613	48.7
96.04462	1.2
97.02872	1.8
97.10147	1.0
105.07034	45.4
107.08592	25.1
109.10157	37.9
109.10917	1.3
117.07022	2.1
119.08585	39.1
121.10146	20.2
123.11713	11.1
126.05500	1.6
131.08562	4.1
133.10135	30.9
135.11685	4.1
137.10081	1.0
145.10101	4.5
147.11690	60.4
157.10112	1.3
159.11591	1.9
160.12457	1.3
161.09695	1.6
161.13271	19.8
175.14813	5.6
203.07207	1.4
203.10649	1.4
203.14270	3.3
203.17961	100.0
204.18292	2.6
220.17665	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1391
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
55.05499	1.9
56.05006	0.8
56.26478	0.6
56.96553	0.9
60.04523	20.9
61.02923	1.0
64.71832	0.6
67.05499	1.6
68.05022	3.0
69.03451	1.0
69.07063	2.8
69.81982	2.1
69.82407	2.1
72.04538	0.7
73.02905	0.9
79.05471	1.2
81.07049	3.0
82.06613	0.6
83.04958	1.2
84.04512	3.0
84.08150	1.2
84.91997	0.6
85.02892	2.7
86.09705	100.0
87.04443	0.7
87.10009	0.7
91.05486	1.9
93.07032	1.8
95.08609	4.3
96.04512	6.4
97.02911	6.6
97.06542	0.6
98.97593	1.5
105.07039	4.8
107.08607	2.4
109.10162	2.4
110.06058	1.9
114.05539	7.1
116.98560	1.0
119.01943	1.3
119.08589	6.3
121.10163	2.5
121.96643	2.1
126.05525	6.7
127.03905	0.9
128.02327	1.0
131.08514	1.0
132.10205	86.6
133.10094	6.0
138.05539	1.3
143.08676	0.8
144.06532	1.2
145.10165	0.8
147.11696	6.9
156.06566	0.8
156.96265	1.0
157.10152	1.4
157.13370	14.5
161.09596	0.9
161.13272	2.0
168.06538	2.1
170.11005	1.0
174.98497	0.8
175.07562	0.8
179.99042	1.0
185.13168	2.5
186.07645	0.9
203.05341	5.8
203.10699	2.6
203.13965	9.2
203.17955	10.5
204.06866	1.5
204.08667	10.4
204.14081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1394
Annotation	H-ILE-ALA-OH
Peak:m/z	Relative Intensity
55.01862	0.6
55.05508	1.1
56.05008	0.2
56.96573	3.6
57.03436	0.9
59.04999	0.5
60.04531	2.7
61.02919	1.0
62.92989	0.5
67.05503	0.8
69.03432	1.5
69.07071	2.8
70.06583	0.8
70.63311	0.8
70.98129	0.3
71.01360	0.3
71.04987	0.4
71.06915	0.3
72.08167	0.3
73.02929	1.4
73.06573	0.3
74.06082	0.3
74.97626	0.2
79.05487	0.4
81.03401	0.5
81.07063	1.3
83.01340	0.3
83.04997	0.5
84.01517	0.3
84.04511	1.0
84.08154	1.5
85.02915	2.2
86.09708	100.0
87.04465	0.7
87.10051	0.5
90.05558	0.3
91.05486	1.2
93.07061	0.7
95.04945	0.3
95.08619	1.3
96.04508	0.8
97.02885	2.2
98.97588	1.8
99.04465	0.4
101.00896	0.7
102.96889	0.7
105.07047	2.2
107.08598	0.8
109.02847	0.2
109.10168	1.0
110.97555	0.4
111.53648	0.3
112.07613	0.7
114.05508	0.6
115.03961	0.7
116.98629	1.7
117.01998	0.3
118.03512	0.4
118.08652	1.2
119.01920	3.8
119.08568	1.8
120.02026	1.0
120.96545	0.6
120.97929	1.0
121.01662	1.6
121.10192	0.7
121.96645	3.2
123.11745	0.5
125.02493	0.2
126.05543	0.4
127.01540	0.6
127.03934	0.6
127.08679	0.3
128.98666	0.3
129.10260	0.3
130.06558	0.7
130.08662	0.9
131.01881	0.6
131.08589	0.3
132.10229	1.2
133.03455	0.5
133.10135	1.8
134.99666	1.3
137.02937	1.6
138.03287	0.6
138.98955	1.1
139.02670	0.6
142.03531	0.3
143.01907	0.9
143.03482	1.1
144.03363	0.4
145.03491	0.7
145.10161	0.4
146.99657	0.4
147.04256	0.5
147.11679	2.6
153.00859	0.4
153.02191	0.6
155.04625	0.6
156.97511	1.1
157.00099	0.4
157.03525	0.7
157.07646	0.8
157.10126	0.5
157.13434	0.5
158.08112	0.4
159.11681	0.4
160.53677	0.5
161.01166	0.5
161.02986	2.3
161.04593	0.4
161.09633	0.3
161.13275	0.8
162.00540	0.3
171.03009	0.3
173.02992	1.2
174.98544	1.5
177.00681	0.4
177.04321	0.3
179.04039	0.8
179.97800	0.4
179.99110	1.4
180.04214	0.8
183.05064	0.3
185.02998	0.5
189.02342	0.3
190.98665	0.9
191.04015	0.5
191.05733	0.5
192.05450	0.5
198.00243	1.8
203.00543	0.3
203.04041	0.8
203.05605	0.4
203.08270	0.5
203.10712	1.0
203.13945	3.6
203.17952	3.9
203.19743	0.4
204.08768	0.8
204.13867	0.3
208.99797	0.5
219.01817	0.4
221.03281	0.4
221.05170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01865	12.3
55.05514	42.3
56.05028	2.8
56.96568	41.3
57.03449	14.2
57.07078	4.3
58.03688	2.8
58.49282	2.7
59.04996	12.2
60.04526	43.1
61.02920	10.6
67.05509	33.6
68.05021	12.0
69.03428	40.1
69.07073	37.0
69.47136	24.2
70.06586	3.3
71.04996	40.9
72.08152	3.1
73.02907	9.6
79.05494	48.6
81.03428	15.9
81.07061	67.5
82.07397	3.0
83.04980	54.8
83.08624	14.3
84.04514	21.6
84.08148	4.9
84.96030	4.2
85.02906	49.9
85.06548	9.8
86.09705	27.6
87.04471	18.6
89.95614	2.6
91.05479	29.1
93.07043	52.4
95.04974	14.3
95.08611	54.3
96.04501	23.1
97.02900	64.0
97.06546	26.1
97.10169	7.2
98.97588	24.6
99.04436	7.6
99.08099	5.0
101.06006	5.3
101.07098	2.7
105.07037	61.6
107.04963	5.6
107.08604	100.0
109.02905	8.0
109.06504	11.6
109.10166	45.8
110.01254	3.0
110.06040	7.6
111.04440	7.3
111.08086	6.2
111.11678	3.1
112.99123	6.1
113.06015	23.4
114.05557	22.8
115.00729	4.2
115.03924	6.8
116.98611	18.9
117.07006	6.0
119.01853	6.6
119.04912	6.0
119.08595	29.3
120.96452	2.9
121.06525	6.3
121.10149	61.9
121.96698	3.6
123.08070	21.1
123.11703	6.0
125.02338	2.9
125.05999	10.3
125.09631	48.0
126.02540	3.4
126.05547	18.3
127.03912	10.9
128.02374	4.0
128.06247	3.2
128.98616	4.0
129.05493	3.6
129.07021	8.7
130.06607	2.9
131.00159	11.0
131.05450	6.0
131.08560	18.3
132.02560	4.4
132.10211	4.1
133.01668	3.4
133.10143	33.5
134.10466	3.0
134.99680	19.3
135.11682	3.5
136.08858	4.4
137.09647	16.9
138.05524	9.7
139.11185	36.1
140.05962	6.2
142.07803	8.5
143.00179	3.0
143.03450	3.8
143.08540	6.0
144.06544	6.0
145.01799	5.3
145.04973	5.7
145.06566	4.7
145.10132	14.3
146.99654	9.6
147.03294	4.6
147.04425	16.0
147.08029	3.6
147.11696	29.8
149.01222	15.6
149.09618	24.6
153.00653	3.5
153.03069	4.1
155.10637	9.5
156.06464	3.0
156.97469	12.4
157.06502	2.9
157.07695	3.5
157.10159	14.5
158.01196	2.7
158.99673	10.2
159.08022	4.5
159.11649	6.2
160.08842	2.8
161.01234	12.1
161.02930	4.9
161.06085	3.7
161.09621	13.2
161.13264	13.0
162.03644	18.2
163.02800	3.6
164.05922	3.7
167.10686	58.1
168.06558	5.5
169.04349	4.2
173.04834	12.6
173.54424	6.2
174.98567	35.2
175.07590	8.2
175.11174	7.3
175.14871	5.7
177.00685	13.2
179.02332	7.7
179.06479	17.4
179.97827	3.8
179.99135	34.2
185.09656	5.5
185.11749	16.6
185.13327	7.6
186.07588	6.3
188.06993	13.9
190.57288	3.4
191.05890	5.2
194.07053	14.9
195.07797	5.3
198.00179	37.8
199.00217	3.2
201.00691	3.3
203.00671	5.6
203.03403	11.4
203.05264	14.8
203.07425	54.6
203.10641	19.1
203.12680	6.5
203.14349	30.0
203.17975	50.0
203.57660	6.5
204.08629	33.1
204.13858	5.7
212.07924	4.7
213.08009	8.0
214.58347	9.2
219.01735	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	203.1067
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03933	1.3
55.05506	7.2
55.40319	0.6
56.96555	0.8
57.07053	2.2
60.04500	1.5
67.05507	10.1
68.04988	0.8
69.06720	1.0
69.07070	14.4
70.58643	0.7
70.63925	0.9
70.64262	1.7
79.05489	6.1
79.78603	0.7
81.07054	20.6
83.08589	2.9
84.04482	2.2
91.05484	14.0
93.07040	12.9
95.04956	1.2
95.08604	27.3
96.04509	1.8
97.02870	1.5
97.10164	0.9
98.20835	0.9
105.07030	51.7
107.04944	2.3
107.08594	15.7
109.10156	25.0
112.38722	0.8
113.00172	0.7
117.07005	3.1
119.04922	2.3
119.08578	38.9
121.10147	13.5
123.11715	9.5
126.05495	2.9
129.07014	1.1
130.07788	0.7
131.08577	4.8
133.06487	3.1
133.10130	37.1
135.11705	3.9
142.07756	1.4
143.08539	3.2
145.06482	50.7
145.10126	8.3
146.07204	1.5
147.11687	65.4
149.06003	0.9
149.13364	0.8
157.10109	3.6
159.07990	1.4
159.11676	5.1
160.12492	4.5
161.06023	1.0
161.09615	28.4
161.13251	19.5
170.10921	1.0
173.13229	0.8
174.14049	1.6
174.18446	0.8
175.14818	6.1
185.09605	1.2
185.13272	2.3
203.10667	100.0
203.14281	5.5
203.17950	97.7
203.19960	1.3
204.08661	2.6
204.10953	1.0
204.18221	0.8
221.86191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1067
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03934	1.2
55.01874	5.9
55.05509	8.0
57.07051	1.2
60.04506	2.1
62.93126	0.9
65.03943	1.6
67.05505	16.3
69.03428	5.1
69.07066	8.9
71.07226	1.7
71.07560	1.1
74.88648	1.1
79.05491	11.8
81.07060	29.9
83.04977	1.4
83.08609	2.7
84.04512	1.5
86.09705	1.2
91.05482	18.0
93.07037	15.8
95.04962	3.0
95.08611	50.6
96.04530	1.5
97.10178	2.4
103.05483	2.5
105.07031	48.9
107.04961	4.0
107.07863	1.7
107.08599	31.4
108.49644	1.0
109.02956	0.9
109.10156	37.3
115.05456	9.6
116.06232	1.9
117.07016	8.2
119.04932	1.2
119.08584	37.2
120.05718	2.3
120.96453	1.2
121.10148	16.7
121.96684	1.3
123.11709	15.3
128.06233	16.1
129.07005	42.2
131.04939	2.9
131.08554	4.9
133.06502	16.7
133.10136	28.7
135.11720	3.6
141.06979	11.4
142.07785	49.6
143.08617	4.5
144.05716	10.2
145.06471	7.3
145.10150	4.9
146.07298	1.0
147.04396	1.1
147.08044	3.5
147.11685	49.7
151.07562	7.5
152.06219	9.1
155.06042	1.2
155.08569	2.7
157.06496	22.1
157.10135	19.4
159.08046	3.6
159.11725	4.3
160.12509	2.0
161.02963	1.6
161.06035	1.3
161.08252	1.1
161.09566	4.7
161.13271	17.5
165.07036	4.8
165.08263	1.1
166.07765	1.6
167.08569	7.5
169.06477	6.1
170.07266	23.9
173.13327	1.4
175.07581	2.1
175.11194	14.7
175.14822	7.9
185.09622	81.7
185.13164	2.5
186.09999	1.5
188.15645	1.1
203.07077	2.8
203.10677	41.7
203.14351	6.1
203.17964	100.0
204.11032	1.5
204.18262	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01865	3.5
55.05512	9.0
56.05029	2.1
56.96562	19.4
57.03421	7.1
57.07055	2.1
58.02900	1.5
59.04996	1.8
59.06117	1.7
60.04527	22.7
61.02915	6.8
67.05515	9.5
68.05003	5.4
69.03079	1.8
69.03430	21.6
69.07071	10.7
71.04976	7.2
71.56988	2.0
72.08149	1.6
73.02902	5.1
79.05495	11.5
81.03413	7.0
81.07056	42.0
83.04985	4.4
83.08609	6.9
84.04497	5.8
84.08143	3.4
85.02905	21.1
85.06517	1.7
86.09690	4.4
87.04462	3.0
91.05477	10.6
93.07037	10.7
95.04967	2.0
95.08607	16.2
96.04494	8.6
97.02896	27.0
97.06535	9.2
97.10175	1.9
98.97574	9.5
99.02102	2.2
99.04443	4.7
99.08081	4.2
105.07030	23.8
107.08591	14.6
109.02891	3.3
109.06516	21.1
109.10139	13.3
111.08060	2.3
113.06067	2.3
114.05524	5.9
115.03923	2.1
116.98595	5.7
117.06974	1.9
119.01888	3.1
119.08574	18.7
121.06552	2.1
121.10133	10.5
121.96670	1.9
122.04958	2.8
123.11671	3.5
125.09638	2.4
126.05499	9.0
127.03896	5.4
127.07547	10.2
129.06989	3.7
131.00105	2.8
131.05429	10.9
131.08582	4.9
133.10121	17.4
133.87309	1.6
134.99632	5.6
138.05435	2.5
139.11169	2.0
140.05940	13.0
142.07782	2.7
142.56203	3.0
143.00169	1.8
143.01878	2.2
143.08594	2.3
145.01741	4.0
145.05011	2.3
145.10123	9.9
146.99648	2.1
147.03391	2.2
147.04391	11.6
147.08057	3.2
147.11684	22.0
151.56743	2.9
157.01749	2.0
157.07564	2.4
157.10107	6.1
158.99681	4.6
159.11691	5.1
161.01166	4.6
161.02899	4.4
161.04863	3.3
161.09572	4.8
161.13257	7.9
162.03613	7.3
162.53918	2.0
163.02777	2.4
165.06750	1.7
167.10695	3.9
168.06529	2.7
170.05746	5.9
170.10928	2.6
173.04863	5.6
173.06253	1.9
175.07501	3.7
175.11186	3.2
175.14796	4.0
177.00693	3.8
179.05867	1.7
185.13248	4.0
191.05904	3.1
194.06993	10.5
198.00079	1.9
203.03505	16.2
203.05592	4.0
203.07513	100.0
203.10686	9.9
203.14279	19.7
203.17957	28.9
203.57718	16.3
204.08649	9.6
204.13878	2.5
212.08047	21.5
212.58202	4.0
214.58406	4.9
221.06812	2.4
223.58897	13.8
224.09045	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
55.01867	3.7
55.05513	9.9
56.96571	27.8
57.03431	5.6
57.07075	1.3
59.05001	2.4
59.64251	1.1
60.04527	11.0
61.02924	6.8
67.05503	6.7
68.05036	3.6
69.03435	22.4
69.07056	7.3
69.78012	1.4
70.03774	1.6
70.98946	3.7
71.05000	9.9
72.08112	1.7
73.02912	7.8
74.97615	2.2
77.31921	1.2
79.05482	5.7
81.03416	9.7
81.07059	20.2
83.01322	1.5
83.04972	4.5
83.08608	3.0
84.04494	5.4
84.08141	1.9
84.96037	1.9
85.02914	30.1
85.06548	2.0
86.09714	9.8
87.04474	7.0
90.01554	1.4
91.03953	2.4
91.05473	5.9
93.07040	9.2
95.04962	2.9
95.08611	8.0
96.04490	5.2
97.02899	38.9
97.06518	2.9
98.03259	2.9
98.97588	15.2
99.02075	3.3
99.04443	5.5
101.02357	1.3
105.07019	11.3
107.08612	13.9
109.02878	5.2
109.06503	2.7
109.10171	8.9
110.06076	2.2
111.08067	1.5
112.99129	3.5
113.04370	1.7
113.06023	3.4
114.05518	6.0
115.03920	2.3
116.98621	12.9
117.02047	1.6
117.07045	2.7
119.01889	3.2
119.08568	8.8
120.96476	1.6
121.10135	8.2
122.04940	1.7
123.08092	1.5
123.11753	1.7
125.09625	3.3
126.02552	1.4
126.05502	6.0
127.03936	7.0
127.07551	2.6
128.06192	1.7
128.98648	2.3
129.07047	2.2
131.00182	4.7
131.05435	12.2
131.08553	5.2
131.55597	2.0
133.06461	1.5
133.10150	10.9
134.99635	6.4
138.05508	2.5
139.11180	2.9
140.05956	15.2
142.07756	1.9
142.56184	1.7
143.00204	2.7
143.08511	2.3
145.01729	4.1
145.04933	3.6
145.10150	5.0
146.99615	2.1
147.03313	2.6
147.04372	3.0
147.11693	11.2
149.01259	2.7
149.09610	1.6
152.06018	1.5
157.10152	3.2
158.05972	2.6
158.99652	3.6
159.03290	2.8
159.07988	2.0
159.11662	1.6
161.01250	7.2
161.04834	3.5
161.09688	3.0
161.13266	4.4
162.03609	9.6
163.02795	4.1
164.05998	2.4
165.06732	1.8
167.10698	4.9
168.06587	1.7
169.04396	3.1
170.05806	4.0
171.04343	1.9
173.04840	11.4
173.06190	1.7
173.54294	2.0
175.02768	2.6
175.07584	3.2
175.11234	1.9
175.14760	1.7
177.00653	7.7
179.02258	4.2
179.06474	8.5
185.04836	2.3
185.09531	2.6
185.11720	2.0
185.13319	2.3
186.07735	1.4
187.02800	1.7
188.06985	9.3
191.05960	2.9
194.07024	13.3
194.57249	1.8
199.06415	2.2
201.00671	1.7
203.03426	4.6
203.05634	5.9
203.07530	100.0
203.10663	4.9
203.14268	11.2
203.17987	13.8
203.57750	14.9
204.08698	6.7
204.13853	2.7
212.08051	14.7
212.58205	2.2
213.03099	1.5
213.08003	3.0
214.58257	4.5
217.07535	6.0
217.39449	1.5
219.01733	2.9
221.06882	2.3
223.58897	11.5
224.09009	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2165
Annotation	DDAO
Peak:m/z	Relative Intensity
52.57517	0.4
53.00274	0.5
55.05496	1.2
57.07077	14.1
58.06597	1.8
62.05791	0.5
62.06090	9.7
62.82311	0.4
66.70265	0.3
67.05503	1.8
69.07059	1.4
71.08639	3.3
72.23022	0.3
79.05499	0.7
81.07070	3.9
85.10194	2.9
86.20576	0.3
91.05473	1.5
93.07052	2.3
95.08611	6.2
105.07027	4.8
107.08605	2.8
109.10155	3.8
117.06934	0.4
119.08568	3.9
121.10124	1.6
123.11693	1.0
131.08508	0.7
132.08896	0.7
133.10138	4.3
143.08591	0.6
145.10126	0.9
146.10498	1.2
147.11703	5.3
159.11696	0.5
160.12013	1.5
161.13278	2.2
175.14857	0.9
184.20602	7.1
184.22076	0.7
185.13338	0.4
185.52237	0.4
202.16759	2.5
202.21658	100.0
203.07010	1.1
203.14426	0.7
203.17949	10.0
203.21948	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0702
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
50.04922	0.2
53.03935	0.3
55.01878	0.2
55.05511	1.0
56.96562	0.3
57.03428	0.5
57.07066	0.3
59.04981	0.2
60.04520	1.2
61.02918	0.2
67.05509	1.1
68.05032	0.2
69.03433	0.8
69.07063	1.5
70.07700	0.8
71.04995	1.0
73.02929	0.3
78.67210	0.2
79.05495	1.7
81.07056	3.0
83.04980	0.9
83.08573	0.2
84.04498	0.4
85.02897	0.4
85.06505	0.3
86.09703	6.3
87.04465	1.0
88.58936	0.1
91.05463	1.6
93.06551	0.2
93.07042	2.5
95.04946	0.5
95.08611	3.0
96.04515	0.3
97.02880	0.5
97.06539	0.8
97.10175	0.2
98.97587	0.2
103.05458	0.6
105.03403	0.4
105.07024	3.0
107.04960	0.3
107.08601	2.0
109.05878	0.2
109.06477	0.9
109.10155	1.6
111.08110	0.2
111.11662	0.2
114.05497	0.4
115.03937	0.5
115.05457	0.4
116.98636	0.2
117.03333	0.2
117.06986	0.5
119.08581	2.8
121.06550	0.3
121.10130	3.4
123.08042	0.4
123.11682	0.4
125.05973	0.2
125.09645	0.4
126.05506	0.5
127.07553	0.5
128.06215	9.5
129.07004	12.8
131.04921	0.6
131.08553	0.6
132.05685	0.4
133.06474	0.3
133.10126	2.2
134.99605	0.2
137.09576	0.3
139.11162	1.8
142.07770	0.4
143.03349	0.2
143.08519	0.5
143.11772	1.9
145.06500	2.0
145.10066	0.9
146.11743	2.3
147.04413	2.5
147.08040	1.5
147.11684	2.7
149.09608	0.5
155.05962	0.9
157.06491	6.2
157.10135	0.6
157.12195	1.3
159.08121	0.2
159.11708	0.5
160.05182	1.1
161.02834	0.2
161.05940	0.4
161.09615	0.4
161.13258	1.0
161.77884	0.2
162.38460	0.2
167.10666	0.7
170.10797	0.2
175.07570	1.1
175.11179	0.3
175.14784	0.4
181.00294	0.2
185.05946	1.1
185.09624	0.3
185.11620	0.4
185.13277	0.7
203.07022	100.0
203.14270	2.0
203.17938	3.7
204.07248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94231	0.9
55.01874	1.8
55.05491	2.6
56.05027	2.1
56.96568	7.3
57.03424	2.0
57.07071	1.2
58.06593	3.1
60.04516	1.8
60.05634	1.7
60.08165	14.9
60.95849	0.9
61.08480	1.4
62.06077	1.6
67.04250	1.3
67.05478	1.3
68.05022	2.1
69.03410	1.7
69.07050	3.9
70.06587	9.1
70.66830	2.9
71.04980	1.7
71.66396	1.0
72.04505	1.6
72.08161	6.3
73.02888	1.4
74.00655	1.3
74.02428	2.2
74.06056	1.3
79.05531	1.0
81.03406	1.2
82.06577	1.5
83.04965	2.7
84.04504	6.8
84.08144	13.6
85.02890	2.8
85.08462	1.3
86.03549	2.6
86.06042	1.2
86.09212	1.6
86.09702	18.2
88.03986	1.6
89.86569	0.9
91.03281	2.7
96.04512	1.0
97.02868	1.7
98.06029	1.0
98.97597	6.1
100.02486	1.4
100.03986	1.1
100.97165	1.4
100.97968	1.3
101.00881	11.5
101.07175	1.2
101.37442	1.0
102.09175	5.7
112.03954	2.0
112.05095	1.0
112.08676	1.2
112.11225	1.6
114.09136	1.6
116.07071	1.5
116.98636	7.0
118.03565	2.2
118.98202	3.1
118.99051	1.9
119.01920	100.0
120.02008	6.1
120.03206	0.9
124.02453	1.3
127.02847	1.2
127.03864	2.0
128.02060	24.8
128.03026	2.0
128.07063	1.4
128.10695	3.4
129.05460	1.0
129.10201	2.5
130.04961	1.2
131.01874	2.2
133.01645	1.3
133.03383	1.5
134.99678	6.7
136.04546	1.3
136.99219	3.6
137.02959	60.2
138.03033	3.7
138.05508	1.2
141.06454	15.2
142.03496	36.6
142.05104	4.4
142.08598	1.7
143.04395	79.3
145.03413	1.9
147.02206	3.5
156.05084	1.0
156.97398	1.9
157.03424	2.6
158.08131	1.0
160.03036	1.6
160.04553	27.3
161.02962	21.1
161.04335	1.9
165.05058	2.3
169.05919	3.1
174.98589	1.6
175.04491	2.2
175.11911	2.2
178.03867	3.6
178.05579	5.1
178.07028	1.2
178.98442	1.0
179.02303	3.6
179.03992	49.6
179.99081	2.0
184.02957	1.5
184.04570	5.5
185.02936	1.1
191.03920	1.1
197.03098	1.3
198.00137	3.1
201.00635	1.1
202.04059	2.0
202.05565	7.6
202.11729	52.4
202.18005	6.5
203.05284	2.6
220.08606	1.3
224.51695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30039	1.7
77.38184	0.7
78.90733	0.7
80.58897	0.8
98.10172	0.7
101.00870	12.1
116.98604	0.8
118.03505	2.1
119.01923	100.0
120.02028	2.0
124.02473	1.6
137.02963	44.1
138.03091	0.9
142.03503	36.9
142.76280	0.8
143.03777	1.0
160.04567	23.9
161.02965	18.5
161.04311	1.4
165.05089	1.8
178.01048	1.0
178.05547	4.1
179.04008	50.0
180.04161	0.9
183.06018	0.9
184.04585	1.9
195.22469	0.7
202.05620	3.0
220.02092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03941	1.0
55.05515	4.7
57.03424	0.8
57.07075	2.2
60.76815	0.7
65.03937	0.8
67.05503	7.6
69.07075	6.6
69.26237	5.9
69.26657	3.1
71.04986	0.9
79.05489	9.3
81.07059	20.6
83.04987	1.7
83.08616	2.2
84.08108	0.8
85.02889	1.1
86.09718	1.9
91.05479	11.4
93.07047	12.7
95.04961	1.8
95.08611	18.8
98.20795	1.8
98.97612	1.4
103.05412	1.1
105.07037	24.8
107.08599	20.8
109.06529	1.1
109.10151	5.8
115.05484	1.6
116.98597	1.4
117.07024	15.4
118.96763	3.2
119.08582	16.6
121.10147	8.2
127.03864	0.9
128.06238	1.6
129.07022	4.7
130.07777	6.9
131.08571	39.8
133.10143	11.3
134.99631	1.1
141.07124	1.2
142.07762	1.3
143.08591	6.8
143.94661	0.8
144.09361	6.6
145.06470	1.4
145.10127	74.2
146.10837	1.6
147.11693	1.8
148.63348	1.0
154.96518	1.9
157.10133	8.2
158.07339	0.9
158.10944	3.6
159.11699	56.4
160.07574	0.9
160.12076	1.0
171.11681	3.5
172.12488	5.1
173.05946	1.6
173.13286	15.6
177.98042	2.3
186.14075	2.1
186.38530	0.8
201.05444	2.5
201.09106	4.7
201.12689	3.6
201.16389	100.0
202.16747	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03934	1.6
55.05518	8.8
56.50815	1.2
56.96556	1.9
57.03421	1.9
57.07066	4.2
63.97686	1.1
64.77567	1.0
67.05508	9.5
69.07053	6.6
70.06597	1.9
70.75243	3.0
79.05486	9.8
81.07060	19.8
83.04987	7.9
83.08566	1.2
85.02908	3.4
91.05483	12.5
93.07036	14.5
95.04950	3.4
95.08611	16.5
97.02885	1.7
98.97567	4.5
101.06013	2.5
103.05454	2.1
105.07027	25.7
107.08604	17.6
109.06561	2.2
109.07710	1.4
109.10163	5.7
114.05495	1.1
115.05444	2.2
116.06231	2.3
116.98605	2.9
117.07009	15.8
118.96776	3.7
119.08581	19.8
121.10149	6.7
123.08012	1.6
128.06194	1.3
129.06993	5.4
130.07791	7.3
131.08569	40.8
133.10143	10.4
134.99623	2.5
137.09644	1.7
141.01840	2.2
142.07831	1.4
143.08597	6.2
144.09334	5.7
145.06509	1.7
145.10121	71.2
146.10817	1.9
147.11626	2.0
157.10115	9.9
158.10902	3.2
158.99597	2.1
159.11693	58.0
159.96764	1.2
165.05513	1.3
171.11670	1.6
172.12459	3.9
173.06007	1.5
173.09573	1.3
173.13249	14.9
177.00813	1.9
177.98079	5.2
184.13339	3.7
186.13933	2.3
201.05482	9.4
201.09120	3.3
201.12685	4.0
201.16377	100.0
202.16701	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03948	1.0
55.01871	1.5
55.05513	5.5
56.05003	0.8
56.96555	2.8
57.03417	2.7
57.07058	2.8
58.06593	0.8
59.04985	0.8
59.06109	1.0
60.04522	0.8
61.63765	0.8
67.05513	10.1
69.03420	2.6
69.07076	7.6
70.01045	3.4
70.06569	0.9
71.04975	2.5
73.02921	1.6
79.05492	8.7
81.07058	20.7
83.04959	1.6
83.08605	2.3
84.04517	1.1
84.08144	1.5
85.02905	4.5
85.06524	3.0
86.09699	3.7
87.05639	1.0
91.05485	15.5
93.07052	15.6
95.04958	3.1
95.08612	16.0
96.08109	1.3
97.02883	1.4
97.06526	2.1
98.21393	1.2
98.97570	2.9
103.05474	0.8
105.07033	22.3
107.04923	1.0
107.08598	20.9
109.02848	1.0
109.06506	3.0
109.10166	5.3
114.05524	1.3
115.05450	2.5
116.98623	3.3
117.07030	15.5
118.96765	8.9
119.01807	1.0
119.08579	19.3
121.10126	7.3
123.08050	1.9
127.03918	2.6
128.06218	1.4
129.07004	5.2
130.07790	5.7
131.08572	35.7
133.10135	10.3
133.99080	1.9
134.99661	3.6
136.00046	0.9
137.06023	0.9
137.09612	5.6
141.01843	1.1
141.05447	1.0
142.07733	1.4
143.08566	6.2
144.09381	6.2
145.06514	2.6
145.10129	67.2
146.10864	1.7
147.11719	1.3
150.95740	1.3
154.96452	3.1
155.08525	1.3
155.10634	0.9
156.06526	0.9
157.09167	0.9
157.10165	10.3
158.10907	2.5
159.11697	53.5
159.97015	1.1
160.12198	1.2
169.06174	1.7
171.11670	3.6
172.12492	3.0
173.05963	1.8
173.09682	1.0
173.13274	13.9
177.00624	1.3
177.98038	6.6
178.06874	1.0
183.06560	1.4
183.10147	1.1
183.11601	1.0
186.10406	1.1
186.13989	2.4
189.54103	1.2
189.55643	4.8
190.05858	0.8
198.54445	1.9
201.05493	1.9
201.09131	2.8
201.11232	1.7
201.12755	3.3
201.16391	100.0
202.16757	2.0
216.05504	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03948	1.1
55.01865	1.6
55.05505	3.6
57.07055	2.6
60.04511	0.7
67.05514	7.7
69.03437	0.9
69.07063	6.2
70.29534	3.6
71.04975	1.6
77.27282	0.8
79.05493	8.2
81.07057	18.4
83.04992	1.1
83.08616	2.9
84.53625	0.7
85.02901	1.6
85.06544	2.7
86.09693	2.2
91.05476	11.9
93.07041	14.6
95.04958	2.4
95.08603	16.2
97.02888	1.1
97.06515	1.1
98.97601	2.6
105.07031	22.2
107.08601	17.6
109.06535	0.9
109.07642	1.0
109.10151	3.2
111.04433	0.9
115.05425	1.2
116.98617	1.3
117.07024	12.0
118.96774	5.4
119.08583	17.9
120.02695	0.8
121.10136	6.7
127.03976	1.1
128.06268	1.0
129.06998	5.8
130.07776	5.7
131.08574	33.2
133.10126	8.9
134.99655	1.8
137.09641	1.7
142.07759	1.2
143.08588	5.4
144.09341	6.0
145.10126	62.8
146.10855	2.4
147.11705	1.1
154.96481	1.2
155.07066	1.5
156.09383	0.9
157.10149	8.7
158.10837	1.3
159.11696	54.3
160.12288	1.1
171.11717	3.2
172.12439	2.4
173.09586	0.9
173.13272	12.5
174.14484	0.9
177.98090	3.3
183.11902	0.8
186.14052	1.7
201.05490	1.2
201.09126	1.4
201.16386	100.0
202.16763	2.6
212.47223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
57.07071	4.7
58.07404	0.5
63.00874	0.4
67.05495	1.0
70.77491	0.8
70.77863	0.7
71.08629	4.8
74.06066	0.5
79.05487	0.5
81.07044	1.3
88.07636	1.2
89.07961	0.6
91.05470	2.2
93.07047	1.0
95.08597	1.3
95.83401	0.5
103.09531	0.5
105.07032	9.2
105.07685	0.8
107.08598	1.3
109.10114	0.4
117.07014	4.8
119.08568	2.3
128.06206	0.8
129.07008	1.1
130.07788	4.3
131.08569	11.6
133.10165	1.1
142.07828	0.7
143.08580	2.9
144.09372	1.6
145.10120	100.0
146.10509	1.6
155.16283	0.4
157.10124	2.6
158.10912	0.7
159.11694	21.7
173.13248	1.6
201.09280	0.6
201.12758	1.7
201.16388	17.8
201.20418	7.9
201.90456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05498	3.7
56.05029	1.8
56.96556	3.0
57.03431	1.1
57.07067	4.7
60.04505	1.1
67.05500	9.4
69.03420	4.2
69.07072	8.2
69.47441	2.2
69.47850	6.5
70.06570	2.0
71.04988	1.6
71.08617	1.7
74.02436	1.0
76.24087	0.9
79.05505	8.4
81.03426	1.1
81.07063	14.8
83.08604	1.4
85.02907	2.0
85.06545	1.2
86.09692	2.5
87.00822	1.8
91.05480	13.7
93.07052	17.1
95.04970	2.4
95.08611	20.6
97.02887	4.5
98.21527	1.9
98.97578	2.3
101.70607	1.1
102.05534	2.7
105.06390	1.5
105.07040	25.4
107.08601	18.6
109.02854	1.1
109.10175	5.9
111.04415	1.1
113.06033	0.9
115.03916	1.7
115.05470	2.6
116.06264	1.3
116.98616	2.7
117.07024	20.0
118.96762	2.8
119.07787	1.5
119.08580	19.4
121.10157	10.4
123.08072	1.8
123.11675	1.9
128.06197	2.5
129.07010	6.3
130.07788	7.0
131.08575	39.3
132.08031	1.1
133.10110	8.8
133.99098	1.3
134.99648	2.4
137.09679	1.1
141.06963	1.9
142.07768	2.6
143.08569	7.4
144.09354	8.1
145.06465	3.1
145.10130	77.6
146.10760	1.3
147.11662	2.0
149.01216	1.4
155.08585	3.9
157.10139	10.5
158.03653	2.1
158.10901	6.0
159.08032	2.7
159.09149	3.6
159.11705	94.9
160.12047	1.6
162.99184	1.3
168.09262	1.2
171.11658	4.0
172.12494	2.1
173.06036	2.1
173.09656	1.4
173.13271	33.9
177.00705	1.3
177.98111	2.8
183.10228	1.0
183.11688	3.1
186.14044	3.9
201.05472	6.8
201.07376	1.4
201.09082	6.1
201.12787	15.9
201.16388	100.0
202.10945	1.3
202.16721	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	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03941	0.6
54.92270	0.5
55.05505	2.7
57.07079	4.8
67.05502	7.1
69.07070	4.1
69.80977	3.1
71.08606	0.7
79.05489	6.3
81.07056	8.6
83.08621	1.0
91.05473	9.1
91.14284	0.5
93.07044	11.1
95.04962	0.9
95.08606	17.3
103.05438	0.5
105.06310	0.5
105.07027	15.6
107.08595	20.3
109.10157	5.1
115.05412	1.1
116.06235	0.6
117.07018	13.4
118.96737	1.6
119.08574	16.8
121.10141	5.9
124.45160	0.4
128.06160	1.1
129.06961	3.7
130.07806	4.5
131.08571	25.6
132.09277	0.6
133.10135	11.1
134.10445	0.6
139.33092	0.5
142.07782	1.6
143.08578	5.7
144.09348	6.0
145.10120	53.0
146.10710	1.0
147.11696	1.3
154.96422	0.9
155.08546	1.5
156.09245	0.7
157.10132	9.4
158.10922	3.6
159.11691	58.6
160.12108	1.0
171.11697	6.4
172.12471	4.9
173.09459	0.5
173.13268	18.8
177.98091	0.7
183.11736	0.6
186.10352	1.2
186.14043	4.8
201.12869	6.3
201.16380	100.0
202.16663	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
55.05511	0.8
57.07080	3.6
67.05503	0.8
69.07058	0.4
70.90357	0.7
71.08636	5.3
79.05492	1.0
81.07053	1.4
91.05492	3.0
93.07045	1.2
95.08599	2.0
105.07029	10.4
107.04996	0.6
107.08623	1.7
109.10133	0.4
115.05449	0.4
116.06252	0.5
117.07018	6.4
119.08584	3.0
121.10188	0.4
128.06224	0.8
129.07008	1.8
130.07788	4.4
131.08577	14.6
133.10133	2.8
142.07797	1.1
143.08578	4.3
144.09378	2.8
145.10127	100.0
146.10408	1.7
155.08575	2.2
157.10152	3.7
158.10930	1.6
159.08093	0.8
159.11700	27.1
160.12061	0.4
168.09363	0.6
171.11644	2.0
172.12474	1.3
173.13272	4.7
183.08124	0.4
186.10538	0.8
186.14041	1.1
199.41208	0.4
201.12761	12.5
201.16391	31.1
202.13197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72190	0.2
56.96569	1.7
58.06611	0.3
60.08163	16.2
61.08489	0.3
67.04205	0.2
68.05032	1.9
70.06590	0.3
71.22568	0.5
84.04494	0.4
93.04525	0.7
94.05293	1.0
95.06100	0.3
98.17583	0.2
98.97583	5.1
99.01448	0.9
116.98630	4.5
119.01873	0.4
126.02478	30.5
134.99658	2.9
140.00185	1.0
141.04808	100.0
142.05142	0.9
145.38914	0.2
153.00700	0.6
155.49614	0.2
158.01260	3.6
158.99718	0.6
176.02304	3.2
177.00729	0.4
177.03860	0.3
195.01768	0.3
199.04103	0.2
200.02347	0.6
200.12166	54.5
201.12434	1.0
214.49477	0.2
218.03302	0.5
218.08728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05492	1.7
57.07058	2.6
65.33277	0.7
65.88020	0.7
67.05503	5.3
69.03420	1.2
69.07067	5.1
69.48096	1.6
69.48502	4.9
71.08634	1.2
79.05488	5.1
81.07053	10.9
83.08606	1.4
91.05467	11.7
93.07037	12.1
95.04943	1.4
95.08601	12.0
95.26916	0.8
97.02870	1.2
98.20764	1.2
105.07027	24.9
105.83800	0.7
107.08594	15.6
109.06489	1.0
109.10138	5.0
115.05450	3.5
117.07014	14.9
119.08583	13.8
121.10143	10.4
128.06221	2.6
129.07005	6.1
130.07771	11.5
131.04941	1.1
131.08563	26.0
133.10150	7.1
133.33580	0.7
141.06982	4.5
142.07747	1.2
143.08548	10.1
144.09328	4.2
145.10118	100.0
146.10774	1.4
155.08531	1.4
157.06471	2.0
157.10181	4.4
157.82794	0.9
158.07280	3.5
158.10957	4.2
159.11688	56.0
160.05200	1.6
160.12097	1.7
169.06464	4.7
170.07301	1.4
171.11642	2.8
172.12468	1.8
173.05951	1.2
173.09631	1.5
173.13249	13.2
183.11684	0.9
185.05946	1.0
186.06772	2.7
186.14067	1.9
201.05466	2.3
201.09120	25.2
201.12733	3.4
201.16374	87.0
202.09367	1.4
202.16652	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
56.96569	8.7
57.03437	3.2
58.06602	25.5
59.07386	6.8
59.41337	0.4
60.08148	1.1
61.02938	2.4
61.03181	0.5
64.66773	0.5
65.60124	0.4
68.19706	0.4
69.03436	3.9
69.88852	2.5
70.06576	1.0
71.04968	0.7
71.95238	1.0
72.08147	0.7
72.49400	0.4
73.02924	6.9
74.09723	38.4
81.03383	1.3
82.06534	0.6
83.04940	0.5
84.04491	0.5
84.08145	0.6
85.02910	7.0
87.04488	0.7
91.03981	0.5
92.01260	0.6
97.02897	4.4
98.01328	0.5
98.97590	44.8
99.04440	1.1
99.97906	0.6
100.07594	1.8
101.00854	1.2
103.03922	0.7
104.01264	0.7
109.02877	0.6
110.01253	1.6
110.97545	1.5
111.02087	0.6
111.02879	1.0
115.03227	0.6
116.98630	49.2
117.02015	1.2
117.02885	1.4
118.03542	0.9
119.01891	8.2
123.03040	0.7
125.01808	0.9
126.02496	0.6
127.03961	3.4
128.02315	1.7
128.98599	2.6
131.01840	2.7
132.02658	0.5
133.03441	1.3
134.02306	0.9
134.99667	54.0
137.02948	3.4
138.53557	0.6
140.00209	2.5
140.02301	0.9
141.04791	2.3
141.06462	0.5
143.00175	0.5
143.01814	0.8
144.05139	0.5
145.04915	1.1
146.02286	1.5
146.99681	2.3
149.01141	0.8
149.02885	1.7
151.04567	0.7
152.02277	1.3
153.00720	11.6
153.04044	0.7
154.03462	0.7
155.02832	2.8
155.05472	1.0
155.53084	0.5
156.01964	0.6
156.08687	1.4
158.01280	5.8
158.03400	0.5
158.06621	5.5
158.99666	1.6
159.01682	0.5
161.01295	0.9
161.02866	3.2
162.03145	0.6
163.02640	0.6
163.73770	0.5
164.03351	0.8
165.00719	0.7
168.01407	0.5
170.03348	1.4
170.99663	0.9
171.05040	1.7
172.04678	0.8
173.02948	1.8
173.05351	0.6
174.09781	12.5
175.02625	0.5
176.02321	1.6
176.07700	37.1
177.00714	5.7
177.02391	1.2
177.07912	0.8
179.03947	0.8
182.03334	1.3
182.06116	0.5
182.08003	0.6
185.02991	1.0
186.03136	1.2
187.02687	1.1
189.00745	3.2
189.06099	1.0
191.03880	2.0
191.06404	3.8
194.08777	2.3
195.01808	2.9
195.03337	0.7
197.11310	0.7
199.09349	0.9
200.04195	2.5
200.07695	48.7
201.00722	1.2
201.02428	0.7
201.07892	1.6
204.04120	0.6
213.84373	0.5
218.08760	100.0
219.01764	1.6
219.03598	1.7
219.08905	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
53.52452	0.9
55.01867	5.4
56.05021	1.1
56.96293	1.5
56.96563	19.2
57.03436	10.7
58.06601	28.8
58.99830	1.0
59.07373	7.3
61.02930	6.2
69.03425	10.5
70.06570	1.6
70.14573	4.8
71.95242	1.3
72.08150	1.8
73.02552	1.6
73.02920	18.3
74.09720	45.2
79.28903	1.0
81.03427	5.4
81.07037	1.4
84.04506	1.7
84.96011	1.2
85.02901	20.5
86.03206	1.4
97.02885	12.4
98.97585	75.2
99.04451	3.1
100.02500	2.8
100.07633	1.3
101.00864	4.6
102.02345	1.9
104.01280	2.4
106.08623	1.0
109.02866	2.1
110.01286	5.9
110.51477	1.1
110.97568	4.1
111.02922	1.2
113.01797	1.0
115.03903	1.9
116.01238	1.2
116.98621	93.5
117.02966	1.1
118.03522	1.9
118.96751	2.0
119.01871	26.7
120.02057	1.7
120.03389	2.1
121.01620	1.9
125.01773	4.6
127.01466	1.6
127.03924	14.6
128.01453	1.4
128.02306	8.3
128.04283	1.3
128.07016	1.6
128.98598	7.9
131.01846	4.9
132.05139	1.1
133.01625	1.8
133.03442	5.1
134.99658	99.1
136.06122	1.4
137.02927	8.0
140.00186	2.9
140.02304	3.2
141.04828	1.6
143.00154	1.2
143.01836	2.4
144.99829	1.8
145.01639	1.3
145.04980	2.6
146.02348	6.2
146.99626	9.9
147.03166	1.4
147.05019	1.5
149.01123	1.4
149.02930	3.8
151.04500	2.3
152.02303	3.4
153.00706	26.0
154.08577	1.5
155.02847	8.4
156.08722	1.6
158.01260	10.3
158.06679	5.6
158.99666	7.2
161.01289	2.3
161.02866	9.3
163.02692	1.5
164.03319	4.1
164.04613	1.2
165.00734	2.4
165.56490	1.1
166.53540	1.2
168.01372	2.9
170.03311	4.5
170.04611	1.1
170.99667	3.4
171.05034	3.6
173.02921	1.7
174.03165	1.6
174.09727	11.3
176.02316	4.0
176.07695	44.6
177.00714	15.9
177.02449	5.0
177.03972	1.4
177.07845	1.4
182.03235	5.9
182.08098	3.9
182.99716	1.3
183.08443	2.8
185.02917	4.2
186.03096	4.6
187.02719	5.2
189.00714	10.5
189.06084	3.5
191.04018	5.9
191.06393	3.9
194.08722	3.7
195.01791	4.8
195.03377	2.4
199.09251	1.8
200.02396	1.8
200.04230	8.9
200.07683	54.4
200.12701	2.7
201.00751	3.9
201.07794	1.5
202.54727	1.3
203.04016	3.1
204.04231	4.6
205.03770	2.0
207.01826	2.4
218.05208	3.4
218.08746	100.0
219.01753	7.3
219.03575	2.4
219.08984	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1482
Annotation	Vetivazulene
Peak:m/z	Relative Intensity
55.05503	1.6
57.93567	1.7
59.06096	1.3
69.07046	3.0
69.58995	10.8
71.04973	1.2
74.09709	7.0
79.05516	1.3
83.08598	1.8
85.04357	1.2
100.07611	2.4
105.07028	1.4
116.97224	8.5
128.06210	1.7
129.06996	4.5
131.99582	1.5
141.06985	4.2
142.07776	39.0
143.08539	2.6
152.96913	2.9
155.08542	2.6
156.09322	7.4
157.10123	100.0
158.10538	1.3
160.07422	1.8
169.10181	1.4
171.11697	2.3
175.98486	4.8
199.14825	66.5
199.18871	32.3
200.09457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03938	0.4
55.01873	1.3
55.05507	1.8
57.07065	0.6
60.36995	0.2
65.03954	0.2
67.01866	0.2
67.05505	0.2
69.07069	2.0
71.59382	0.2
71.59754	0.2
72.04517	0.3
74.09711	1.8
77.03928	0.3
78.53640	0.1
79.05486	1.5
81.03420	0.3
81.07049	0.5
83.08629	0.3
91.05482	2.3
93.07054	1.5
95.04973	0.8
95.08577	0.2
97.06524	0.2
100.07609	0.6
103.05449	0.3
105.07024	3.9
107.04938	0.4
107.08595	1.0
111.04454	0.3
115.05399	1.3
116.97269	0.3
117.07024	0.8
119.08576	4.1
121.10109	0.3
128.06226	6.3
129.07002	9.5
130.07828	0.3
131.08585	1.5
133.10139	0.7
141.06979	7.1
141.08076	0.4
142.06587	0.3
142.07777	15.8
143.08554	25.6
144.09164	0.7
145.06477	0.6
145.10100	1.7
153.06966	0.9
154.07773	0.7
155.08549	10.0
156.09343	30.3
157.06598	1.4
157.10123	41.6
158.07278	1.0
158.10936	1.5
159.07977	0.3
159.11736	0.4
165.06987	1.4
166.07791	3.0
168.09306	0.2
169.06404	1.1
169.10127	13.3
170.07350	0.4
170.10905	12.4
171.08148	1.6
171.11682	38.6
172.12073	0.7
175.98486	0.2
181.10115	8.5
182.10786	0.4
183.08032	0.5
183.11629	0.8
184.08878	7.7
184.12477	22.6
185.09360	0.2
185.12936	0.6
197.09715	0.2
197.13287	0.9
199.11188	42.9
199.14815	100.0
199.18732	7.8
200.11516	1.2
200.15179	2.0
209.30389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98648	0.6
56.33719	0.5
56.96566	10.2
58.97528	0.5
69.81886	2.2
71.14118	0.5
71.95262	1.9
77.25095	0.4
82.12947	0.4
88.96793	0.5
98.20834	0.8
98.97584	99.9
99.97919	0.8
116.98619	100.0
119.01938	2.5
131.01900	0.7
134.02994	0.9
134.99657	72.7
135.03111	1.7
136.55048	0.5
137.00110	0.5
137.02933	0.9
140.00189	3.6
153.00708	14.4
158.01256	7.7
176.02310	2.4
176.03957	1.2
177.00751	5.7
195.01735	4.6
199.53186	0.5
212.01878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1483
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
50.73024	0.7
53.03949	0.9
55.01870	0.9
55.05512	5.8
57.07071	2.2
57.81314	0.8
62.76099	0.8
64.79890	0.8
67.05494	3.0
69.03428	1.6
69.07067	10.2
70.50869	3.0
71.04981	1.2
71.08614	0.9
74.09727	8.6
79.05495	8.3
79.11440	0.8
81.03402	1.1
81.07051	4.4
83.04994	1.9
83.08612	3.2
85.02905	1.8
91.05487	13.2
93.07046	21.9
95.04979	4.5
97.02916	1.5
97.06519	1.9
97.10179	1.7
98.97587	0.9
100.07619	2.6
105.07037	23.4
107.08598	12.8
109.02998	1.1
109.10096	1.0
111.04419	1.2
113.60185	0.8
115.05419	1.9
116.97206	2.5
116.98610	1.7
117.06998	1.7
119.08588	27.1
121.10144	3.2
125.05962	0.9
128.06244	7.9
129.07007	11.8
131.08568	2.8
133.10170	1.7
134.99654	2.7
140.04683	1.0
141.06944	4.0
142.07774	18.9
143.08562	37.3
144.09315	2.5
145.10106	5.0
153.09146	1.1
155.08557	3.3
156.09357	13.2
157.10133	58.3
158.10811	1.2
169.10153	8.2
170.10909	7.0
171.11693	21.4
175.98566	1.4
181.10057	1.2
183.11740	1.2
184.05438	0.8
184.12477	9.4
197.13281	1.4
199.05952	1.4
199.07590	3.2
199.11229	4.3
199.14833	100.0
199.18871	44.1
200.15150	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.148
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
51.02370	0.2
53.03938	0.4
55.01873	1.3
55.05507	1.8
57.07065	0.6
60.36995	0.2
65.03954	0.2
67.01866	0.2
67.05505	0.2
69.07069	2.0
71.59382	0.2
71.59754	0.2
72.04517	0.3
74.09711	1.8
77.03928	0.3
78.53640	0.1
79.05486	1.5
81.03420	0.3
81.07049	0.5
83.08629	0.3
91.05482	2.3
93.07054	1.5
95.04973	0.8
95.08577	0.2
97.06524	0.2
100.07609	0.6
103.05449	0.3
105.07024	3.9
107.04938	0.4
107.08595	1.0
111.04454	0.3
115.05399	1.3
116.97269	0.3
117.07024	0.8
119.08576	4.1
121.10109	0.3
128.06226	6.3
129.07002	9.5
130.07828	0.3
131.08585	1.5
133.10139	0.7
141.06979	7.1
141.08076	0.4
142.06587	0.3
142.07777	15.8
143.08554	25.6
144.09164	0.7
145.06477	0.6
145.10100	1.7
153.06966	0.9
154.07773	0.7
155.08549	10.0
156.09343	30.3
157.06598	1.4
157.10123	41.6
158.07278	1.0
158.10936	1.5
159.07977	0.3
159.11736	0.4
165.06987	1.4
166.07791	3.0
168.09306	0.2
169.06404	1.1
169.10127	13.3
170.07350	0.4
170.10905	12.4
171.08148	1.6
171.11682	38.6
172.12073	0.7
175.98486	0.2
181.10115	8.5
182.10786	0.4
183.08032	0.5
183.11629	0.8
184.08878	7.7
184.12477	22.6
185.09360	0.2
185.12936	0.6
197.09715	0.2
197.13287	0.9
199.11188	42.9
199.14815	100.0
199.18732	7.8
200.11516	1.2
200.15179	2.0
209.30389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.2
55.01797	3.1
55.05436	3.9
56.96496	1.0
57.03356	6.6
57.03666	1.2
57.07020	1.5
57.22104	0.6
59.04925	1.3
61.97452	0.7
65.03870	0.8
67.05424	5.7
69.03347	3.0
69.06985	5.9
69.07404	1.2
69.84839	1.6
69.85272	2.5
70.06516	0.7
71.04910	24.1
71.05341	1.9
72.04468	1.0
72.08083	0.9
74.09631	6.4
77.03864	0.8
79.05486	16.6
80.05791	0.7
81.03358	0.9
81.06973	26.0
81.07500	1.6
83.04905	2.2
83.08529	2.5
85.02841	1.0
85.06520	3.3
86.09702	3.3
87.05539	0.9
91.05474	12.0
93.07041	58.4
93.07609	2.4
94.07314	0.9
95.04967	6.3
95.08606	4.7
97.06525	4.3
98.97588	7.1
100.07548	2.4
105.07026	10.4
107.08591	18.2
108.08876	1.0
109.06511	17.9
109.10100	0.9
111.04364	2.2
111.08089	3.0
111.11656	0.9
115.05399	0.9
116.97241	5.6
116.98618	6.4
117.07016	4.2
119.01920	3.5
119.08577	19.2
121.06541	3.7
121.10137	70.3
123.04427	0.7
123.07212	1.3
123.08057	17.4
125.05953	0.9
127.07550	7.5
128.06184	1.6
129.06979	1.2
130.07797	3.0
131.99515	1.5
134.99658	7.3
135.08070	3.4
135.11690	11.1
137.02855	0.6
137.09569	1.7
139.07536	9.4
139.11206	2.9
140.04677	1.6
141.06784	0.8
142.07759	1.5
143.01935	3.7
143.08540	4.2
144.02164	0.7
145.10120	35.3
148.08783	1.0
152.96930	2.4
153.00664	1.9
156.09332	2.3
157.10141	4.3
161.02943	11.2
162.03151	1.4
163.02742	1.2
163.11174	100.0
164.11552	1.5
169.10226	0.9
170.98021	0.8
171.11659	2.1
175.98517	5.4
178.08322	1.2
181.12230	97.7
182.12575	1.2
199.03935	0.9
199.07507	2.0
199.11240	3.8
199.13303	5.9
199.14908	4.8
199.18907	24.3
217.48615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59443	0.6
53.96830	0.6
55.05507	1.1
55.84902	0.8
56.96565	12.9
57.07065	0.8
69.07053	1.1
69.96801	3.4
71.04984	0.6
71.95267	1.7
74.09719	1.4
77.00894	0.8
79.05491	0.8
83.08620	1.0
91.05479	1.2
93.07037	2.6
95.06116	1.1
96.03069	0.6
98.97587	86.1
99.04483	0.7
99.05582	0.8
100.02468	1.7
100.07628	0.7
101.00892	0.9
101.02542	1.2
107.08611	1.1
116.01955	1.8
116.97244	2.5
116.98624	100.0
118.03518	4.2
119.01933	10.6
119.03625	1.2
120.02068	1.1
121.01674	1.3
131.01917	0.6
131.99547	0.7
134.02995	29.6
134.04756	1.8
134.99661	95.8
135.11682	0.6
136.04541	2.3
137.02953	5.9
138.03052	0.7
140.00179	3.9
142.03459	1.5
143.01901	1.3
152.04036	7.8
152.05891	1.5
152.99466	1.3
153.00716	26.1
156.97482	3.5
157.04562	7.2
158.01265	11.6
158.02895	1.4
161.02960	2.6
172.04562	0.7
174.98576	9.1
175.04233	0.8
175.05690	1.8
175.98552	2.6
176.02330	9.3
176.04065	10.5
176.05887	3.9
177.00735	4.5
178.05580	0.7
180.98198	0.7
190.05573	0.6
194.03357	2.3
194.05125	6.6
194.06845	1.4
195.01807	4.5
198.98880	2.3
199.04044	1.8
199.05693	3.1
199.18893	6.9
199.98932	1.3
203.03883	0.9
216.99654	3.6
217.05003	1.0
217.06886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26143	0.5
55.05505	1.5
56.05022	1.8
56.96566	7.7
57.93564	1.6
58.01438	0.7
58.99863	1.1
59.06110	0.8
66.07976	0.7
69.07055	1.7
69.84711	0.5
70.06570	0.8
70.29022	3.0
71.27468	0.6
72.04527	0.8
74.09708	3.4
75.94598	1.1
77.04781	0.6
77.58729	0.7
79.05460	0.9
81.07059	1.0
93.07024	1.8
98.00903	1.3
98.97584	41.0
99.04446	0.8
99.05566	1.5
100.02476	2.6
100.07607	0.7
101.00887	2.6
107.08606	1.3
111.04440	1.1
116.01935	12.7
116.97285	13.6
116.98615	46.6
118.03513	10.5
119.01917	23.6
120.02003	1.8
121.01656	2.0
130.03508	1.2
131.01884	0.7
131.99548	3.1
132.05058	1.6
134.02989	100.0
134.95892	0.9
134.99660	41.7
135.03084	2.6
136.04538	9.3
137.02954	13.2
139.03590	1.2
140.00214	1.5
142.03497	2.6
143.01862	0.7
143.08614	0.7
150.06120	1.9
152.04045	21.7
152.05875	1.1
152.96930	4.7
153.00703	9.1
153.04068	0.6
155.06720	0.9
156.09319	1.5
156.97433	0.8
157.03485	0.9
157.04587	22.2
157.10202	0.6
157.97484	0.8
158.01274	5.1
158.02975	6.7
158.04254	0.7
158.04791	0.8
160.04558	2.0
161.02972	1.6
170.98027	1.5
171.11746	0.9
172.04501	1.8
173.07819	0.8
174.98537	0.9
175.04282	1.3
175.05673	8.8
175.98543	13.8
176.02365	6.2
176.04057	34.6
176.05780	4.2
177.00807	2.0
177.04192	0.7
177.32419	0.6
178.05598	1.0
180.06255	1.1
181.04633	1.1
193.06735	2.0
193.99747	0.7
194.03432	1.6
194.05103	20.9
194.06873	1.9
195.01764	1.4
198.00157	1.0
199.00061	0.7
199.03996	1.1
199.05652	7.0
199.14845	0.8
199.18936	12.2
200.03992	0.9
217.04898	1.4
217.06715	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	198.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	25.8
68.05022	6.9
69.96682	0.4
70.06575	0.6
70.09124	2.3
84.78626	0.5
95.06087	100.0
96.06440	0.5
100.02459	0.8
111.05564	1.3
118.03566	0.8
121.03471	0.7
147.68642	0.4
154.13385	32.7
165.26660	0.4
166.66536	0.4
170.03072	0.9
198.12379	10.4
198.18558	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	198.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
55.05511	1.1
56.96566	1.1
57.03427	0.6
57.07057	0.8
57.47534	0.2
58.06610	0.3
60.08162	24.7
61.02913	0.3
68.05023	6.3
69.03420	0.5
69.07061	0.8
70.06589	2.7
70.63921	0.6
70.64285	0.5
73.02904	0.5
80.22693	0.2
81.03407	0.3
81.07103	0.3
82.01446	0.7
83.06102	0.3
83.08607	0.9
85.01395	0.4
85.02900	1.3
86.06100	0.2
93.69740	0.2
95.06087	100.0
96.05840	0.2
96.06422	0.9
97.02885	0.7
97.06519	0.3
97.10146	0.4
98.20796	0.2
98.97569	0.2
100.02478	4.4
101.00906	0.3
103.02444	3.0
111.05571	1.2
116.97240	0.4
116.98656	0.3
118.03525	3.8
119.01901	1.0
121.03455	3.3
122.03477	0.2
122.07161	0.4
126.03979	0.7
127.03917	0.5
129.09000	0.2
131.01910	1.6
133.03458	0.3
137.02924	0.4
139.05037	0.3
144.05040	1.1
145.05023	0.5
146.99706	0.3
147.01372	2.1
149.02988	0.8
152.08118	0.3
152.97028	0.3
154.03485	0.7
154.13385	30.9
155.13725	0.3
156.97560	0.3
157.03438	0.3
161.02980	0.6
165.02483	0.4
165.08990	0.5
170.02988	5.0
170.04517	0.3
172.04559	0.5
173.02985	0.4
174.98523	0.3
175.98543	0.3
180.11208	0.2
183.08301	0.5
185.03036	0.7
188.07712	0.3
198.06128	0.3
198.10544	0.3
198.12393	10.2
198.18523	22.9
199.18916	0.4
216.07242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
54.01616	0.2
55.05513	1.0
56.09392	0.2
56.96566	4.3
57.03435	0.8
57.07074	0.5
60.08167	25.3
61.02924	0.5
67.05524	0.4
68.05034	5.9
69.03436	0.6
69.07072	1.2
71.01285	0.3
71.03033	0.6
73.02936	0.8
73.11008	0.3
78.99779	0.3
83.05005	0.5
83.08619	0.9
85.02908	1.1
85.99596	0.2
86.06072	0.3
88.99129	0.3
95.06094	100.0
96.06438	1.0
97.02904	0.5
97.06606	0.3
97.10168	0.5
98.97590	1.2
100.02496	0.6
100.07644	0.5
100.42476	0.3
103.02474	0.5
110.97576	0.6
111.05566	1.0
116.97242	1.0
116.98618	1.0
118.03536	0.7
119.01924	0.9
120.03484	0.3
121.03556	0.6
121.10161	0.3
127.03949	0.6
128.02315	0.4
128.98633	1.1
130.63242	0.3
131.01875	0.7
133.01614	0.4
134.99651	0.7
137.02908	0.6
138.01559	0.3
139.05052	0.6
142.96606	0.3
143.02820	0.4
146.99635	1.2
147.01349	0.3
152.07085	0.3
154.13400	33.6
155.13718	0.3
160.97635	0.6
161.02937	0.6
165.00681	0.3
165.09048	0.4
166.04778	0.3
170.02975	0.5
173.03003	0.5
174.99147	3.2
175.02724	0.3
175.98550	0.6
176.58694	0.3
185.02974	0.9
192.98468	0.4
193.00217	7.0
198.12404	11.5
198.18541	23.5
199.77434	0.3
203.03923	0.6
207.03427	0.5
211.01291	1.0
216.01711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1539
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03934	1.5
55.01882	2.7
55.05514	32.8
57.03431	4.3
57.07076	3.4
58.24880	0.9
59.04993	1.3
59.63418	0.9
60.18733	1.0
67.05509	28.8
69.06721	1.7
69.07075	26.9
70.95873	18.7
71.04996	11.7
71.35518	1.0
72.93791	8.8
73.83157	0.9
76.74088	1.2
79.05500	18.7
79.05959	1.2
81.03444	1.1
81.07063	75.8
81.55730	1.2
83.05000	8.8
83.08624	21.6
85.06558	12.1
87.04500	2.0
88.96930	5.2
90.94830	1.5
91.05495	18.0
93.07050	25.2
95.04969	3.0
95.08611	100.0
96.08949	1.2
97.06533	20.5
97.10189	10.4
99.04476	1.0
99.08092	6.5
101.06004	1.1
105.03393	1.1
105.07039	27.2
106.97961	1.3
107.08599	17.9
109.06548	8.3
109.10160	8.8
111.08097	4.0
111.98490	16.3
113.96420	2.5
115.07559	1.4
117.07049	1.9
119.08585	34.2
121.10143	12.7
123.08086	11.3
123.11721	1.2
127.07576	1.9
129.99495	12.1
132.95851	18.1
133.10143	28.6
135.11707	27.5
137.09624	4.3
137.13261	25.9
141.07071	1.5
150.96898	54.1
151.03914	1.1
151.11192	1.4
151.14787	1.9
153.01102	2.7
154.07864	1.2
155.08553	2.4
155.97429	21.3
161.09659	2.0
161.13264	70.0
162.13606	1.9
167.08586	1.3
168.97885	1.8
169.10214	3.7
173.96964	2.2
173.98499	45.7
174.98741	1.3
179.10744	7.5
179.14317	39.6
182.10922	4.3
191.99548	1.5
197.00110	12.2
197.09656	2.9
197.11697	7.5
197.13312	12.3
197.15411	12.8
198.18550	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	beta-Terpinyl acetate
Peak:m/z	Relative Intensity
53.03946	2.8
55.01864	2.8
55.05514	29.0
57.03423	6.8
57.07077	2.2
63.17642	1.6
67.05166	2.9
67.05504	31.1
69.07069	32.3
69.41747	3.4
69.42155	11.7
70.95863	3.2
71.04998	13.8
79.05492	18.7
81.07059	89.2
83.04987	9.6
83.08624	28.9
84.66837	1.4
85.06547	16.5
87.73158	1.8
91.05489	22.6
93.07047	26.7
95.04958	3.9
95.08609	100.0
97.06540	26.3
97.10181	10.5
99.04464	2.1
99.08091	5.1
105.07027	28.7
107.08608	17.8
109.06505	6.3
109.10155	8.6
111.08075	5.6
111.98464	2.8
113.06036	1.9
113.09621	1.9
119.08585	42.9
121.10136	18.1
122.68170	1.5
123.04437	8.2
123.08089	9.1
127.07599	2.9
129.99489	2.7
132.95836	5.7
133.10141	36.4
135.11700	34.7
135.36348	1.6
137.05962	2.0
137.09593	3.2
137.13266	30.5
139.03999	2.7
141.09097	1.9
141.47194	1.5
150.96898	13.6
151.03984	1.8
151.07524	3.0
155.03403	1.9
155.97441	4.5
161.09592	1.8
161.13266	81.4
164.60120	1.6
169.10043	1.9
173.98479	9.9
179.07040	6.1
179.09222	1.7
179.10703	6.1
179.14311	49.1
197.08136	7.9
197.09683	3.8
197.11732	6.1
197.13516	2.6
197.15338	12.2
198.18549	21.8
200.57532	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1539
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03945	1.6
55.01870	2.1
55.05513	27.4
57.03434	3.7
57.07073	2.6
59.04997	1.4
67.05179	2.1
67.05510	33.2
69.03425	2.0
69.06719	2.1
69.07070	26.9
70.80487	2.5
70.95864	1.4
71.04995	9.9
79.05500	15.5
81.07062	84.3
83.04986	7.6
83.08138	1.8
83.08620	24.6
85.02882	1.0
85.06552	12.8
85.07617	1.2
91.05488	18.1
93.07047	25.2
95.04947	1.3
95.08613	100.0
97.06537	22.0
97.10178	11.0
99.08085	5.1
101.06045	1.9
105.07040	26.7
107.08607	12.3
109.06528	4.7
109.10150	7.4
111.08089	3.8
113.09628	1.5
115.07603	2.5
115.95366	1.3
117.06994	1.4
119.08595	41.8
121.10166	12.5
123.04440	1.3
123.08061	9.0
124.68513	1.1
127.07563	2.9
133.10136	28.5
135.11700	26.6
137.09610	3.9
137.13258	31.1
141.09102	1.9
150.96912	4.4
151.11119	1.6
151.14803	1.9
155.97433	1.3
161.13269	76.0
162.13730	1.3
173.98524	3.1
179.07077	2.8
179.10730	2.9
179.14322	47.3
189.93399	1.4
197.08157	3.5
197.11742	3.2
197.15376	12.6
198.18561	12.4
198.91356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1536
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
52.55748	1.5
55.01860	1.8
55.05513	7.9
57.07071	17.8
65.76502	1.6
67.05509	19.0
69.07067	100.0
69.53867	1.5
69.60302	13.9
70.95861	8.1
71.04958	2.5
72.11272	1.7
72.93784	2.8
75.04536	1.7
79.05479	6.2
81.03392	1.8
81.07055	79.5
83.04990	2.7
83.08588	1.9
84.48932	1.7
85.06559	2.3
91.05476	6.9
93.07014	8.3
95.04933	3.4
95.08603	93.2
97.10114	2.1
97.22848	1.7
98.20712	2.0
105.07030	8.3
107.07948	2.1
107.08600	15.1
109.06487	4.5
109.10156	15.9
109.68658	1.7
111.98491	6.6
119.81290	1.7
123.04414	5.0
125.06097	3.0
129.99489	1.9
132.95848	6.2
133.10138	13.5
135.11667	8.2
137.05887	1.8
137.13258	62.7
139.03908	1.9
141.05444	1.7
141.06976	9.1
141.09067	2.1
150.96892	21.6
151.03778	2.5
151.11159	2.3
153.06927	2.2
154.07759	4.1
155.08549	13.1
155.97427	5.4
156.09300	3.9
161.09633	4.5
167.08594	12.9
168.09312	4.6
169.06659	1.8
169.10081	17.2
173.20482	1.6
173.98503	16.9
179.07037	2.0
179.10683	17.1
182.10931	21.1
183.11438	1.7
197.00075	6.0
197.05940	2.1
197.08006	3.1
197.09570	9.6
197.11676	12.3
197.13260	55.3
197.15282	3.1
197.17204	2.3
198.13556	1.7
198.18533	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	197.1538
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03950	3.8
55.01862	4.5
55.05514	32.9
56.44477	1.9
57.03427	6.5
57.07064	6.6
59.05009	2.0
63.36719	1.7
67.05167	3.2
67.05507	36.2
68.99780	2.5
69.03416	4.9
69.07074	30.3
70.62857	3.6
70.95860	7.5
71.01360	1.9
71.04993	21.5
71.08636	2.7
71.09013	1.6
72.68293	1.8
72.93784	3.7
73.02892	2.1
79.05499	23.1
81.03432	3.8
81.07064	98.0
83.04994	13.2
83.08623	22.8
85.02889	3.0
85.06547	16.7
91.05492	26.5
93.07051	28.4
95.04987	14.0
95.08611	100.0
97.06522	21.2
97.10165	11.3
98.20800	1.8
98.98415	1.8
99.04456	1.8
99.08095	5.9
101.06001	2.2
105.06395	3.0
105.07043	33.8
107.04961	2.3
107.07945	2.8
107.08601	26.7
109.06527	12.6
109.10163	12.4
111.04475	4.9
111.08089	6.6
111.98467	7.5
113.05999	18.4
113.09650	2.8
115.07642	2.0
117.07009	2.6
119.07703	1.7
119.07843	0.9
119.08579	40.0
121.10154	13.8
123.04434	49.8
123.08042	7.9
123.11682	1.8
125.05997	4.0
127.03873	3.0
127.07556	3.0
129.99533	2.9
131.08516	2.5
132.95831	6.9
133.06470	3.4
133.10144	44.3
135.11697	36.9
137.05966	9.6
137.09608	5.1
137.13263	34.3
139.03900	19.5
139.88844	1.8
141.05423	2.2
141.07022	1.9
150.96912	21.2
151.03868	11.1
151.07553	16.0
151.11188	3.1
151.14862	2.6
153.05484	1.9
154.07765	2.3
155.03419	18.8
155.08545	4.5
155.97400	5.8
161.06033	2.3
161.09665	8.6
161.13268	94.1
167.08545	3.4
169.10112	4.3
173.98486	21.0
179.07050	46.3
179.10687	24.9
179.14310	54.9
180.07332	2.0
180.14766	2.0
182.10980	9.4
197.00095	4.4
197.06236	3.5
197.08101	94.9
197.11711	20.3
197.13280	18.6
197.15379	16.6
198.18549	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Phenol A
Peak:m/z	Relative Intensity
51.02400	0.4
53.03945	1.4
55.01885	1.1
55.05505	1.7
57.03444	2.2
57.07076	0.7
57.20909	0.4
59.05003	0.7
59.27390	0.3
65.03942	0.9
67.05503	4.1
68.99783	2.5
69.03430	1.1
69.07052	1.1
70.06590	0.4
70.95869	5.1
71.01350	0.4
71.04990	9.3
71.10367	1.0
72.38290	0.3
72.93785	2.6
73.02897	0.7
79.05500	2.5
81.03412	1.1
81.07062	3.4
83.04981	1.5
83.08624	0.4
85.02898	0.8
85.06543	2.1
88.96884	1.7
90.94833	0.9
91.05479	6.9
93.07043	5.9
95.04967	9.9
95.08612	2.7
97.02918	0.4
97.06537	0.6
99.04471	0.7
105.03384	5.5
105.07030	12.4
106.95366	0.3
107.04949	0.7
107.08594	58.6
108.08920	0.8
109.02924	0.4
109.06516	7.8
109.10164	3.7
110.03679	0.5
111.00852	0.6
111.04426	1.1
111.08056	2.3
111.98477	5.6
113.06007	16.8
113.08249	0.8
113.96397	0.8
114.06267	0.4
115.05450	1.3
119.04955	0.7
119.06042	0.5
119.08576	3.3
121.06532	2.1
121.10152	1.0
123.04427	98.5
123.08057	1.4
123.11705	1.2
124.04739	1.6
125.05967	0.9
127.03928	4.0
129.99519	3.3
131.08580	0.8
131.97466	0.5
132.95831	5.5
133.02760	0.4
133.06511	2.6
133.10130	31.6
134.10480	0.5
135.08043	0.6
135.11696	10.0
136.12041	0.4
137.05984	3.2
137.08217	0.5
137.08553	0.5
137.09590	2.9
139.03903	19.2
146.07242	0.5
149.05968	0.4
150.03120	1.3
150.96889	17.9
151.03944	2.7
151.07542	30.8
151.11115	2.6
152.07870	0.7
153.01901	0.5
153.05484	1.4
153.06857	0.3
155.03392	19.1
155.07025	2.4
155.09431	0.5
155.97421	5.8
155.98682	0.4
156.03679	0.5
156.09390	0.4
161.03044	0.4
161.05969	2.3
161.09627	9.4
165.05504	0.4
167.08531	0.5
168.97874	0.8
169.10091	0.5
173.96959	0.4
173.98495	15.6
179.07037	73.5
179.10629	18.2
180.07484	2.0
182.10931	1.1
191.99530	0.4
197.00084	1.5
197.08093	100.0
197.11725	45.3
197.13136	2.2
198.08472	3.5
198.12059	0.5
198.18526	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
54.58498	1.1
55.01870	1.3
55.05524	6.7
57.03433	2.2
57.07057	1.6
58.22873	1.1
58.28729	1.3
61.02930	1.4
65.03948	1.2
67.05510	6.4
69.03423	2.9
69.07069	4.4
69.84198	7.0
70.28936	1.2
70.95872	15.4
71.04981	4.4
72.91232	1.2
72.93806	8.4
73.02912	2.8
77.75319	1.1
79.05495	7.8
81.07050	13.1
81.93082	1.3
83.04971	4.4
83.08639	1.9
85.02902	1.5
85.06534	1.5
88.96907	2.9
90.94833	1.5
91.05487	14.5
93.07050	19.6
95.04965	5.3
95.08611	7.3
97.06544	2.8
99.04472	2.8
101.06065	1.3
101.08607	1.2
105.03387	1.4
105.07031	31.8
106.97951	1.3
107.08603	100.0
108.08932	2.0
109.06528	7.7
109.10172	6.1
111.08022	2.0
111.98495	16.0
113.06039	2.1
113.08247	1.9
113.96400	2.2
119.04935	3.2
119.08589	18.7
121.06480	2.1
121.10155	18.0
123.04431	9.0
123.08095	2.1
123.11702	3.5
125.05971	2.1
129.06979	1.2
129.99532	10.2
131.08583	2.1
132.95844	17.3
133.02802	1.6
133.06487	1.4
133.10139	60.1
135.11684	10.4
137.05983	8.3
137.08189	1.8
137.09601	3.6
139.03918	1.5
139.07549	3.9
141.06998	1.8
143.08546	3.3
149.09624	10.1
150.96902	51.6
151.03906	4.0
151.07553	4.3
151.11200	18.9
153.05446	1.9
155.03409	2.0
155.09395	1.5
155.97426	19.1
161.09624	19.8
161.13321	1.5
165.05464	2.9
167.08511	1.5
167.10680	30.6
168.97961	1.7
169.06535	1.4
169.10133	2.5
173.98515	50.3
179.07205	6.8
179.10687	48.4
182.05949	1.4
182.10869	2.3
191.99599	1.3
197.00179	3.1
197.06015	3.3
197.08069	11.2
197.10150	3.2
197.11742	79.1
197.13232	4.4
198.12090	2.0
198.16818	2.3
198.18549	31.6
198.20403	1.6
214.61447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.50204	1.1
53.03936	2.3
55.01870	1.9
55.05511	7.7
57.03450	1.6
57.07060	3.3
59.05006	1.8
62.75895	1.0
67.05504	10.6
69.03439	2.5
69.07068	6.1
70.95872	13.5
70.99558	2.9
71.01360	1.8
71.04984	3.7
72.04494	1.0
72.93788	7.7
73.02901	1.6
77.99105	1.1
79.05486	8.3
81.03413	1.8
81.07054	15.8
83.04976	5.7
83.08617	3.6
85.02929	1.3
85.06515	3.5
88.96870	3.5
90.94817	1.9
91.05483	18.4
93.07047	25.3
95.04980	10.2
95.08605	13.2
96.05621	1.5
97.06529	5.9
99.04442	2.9
99.08095	1.2
101.07090	1.3
105.07034	29.9
107.04955	1.6
107.08594	66.4
109.06511	9.6
109.10179	8.4
111.08035	1.7
111.98489	13.8
113.05977	3.4
113.08249	6.9
113.96408	3.0
117.07001	1.5
119.04956	2.7
119.06071	1.3
119.08588	9.7
121.06509	7.5
121.10159	3.1
123.04443	8.9
123.08087	3.2
123.11704	4.1
125.06001	2.9
129.99516	11.8
131.08560	2.7
132.95834	16.3
133.02779	1.2
133.10133	69.2
135.08054	2.2
135.11690	57.4
136.12039	1.3
137.05992	7.8
137.08226	2.2
137.09610	7.4
137.13231	1.4
139.03864	1.8
141.05397	1.8
143.08548	2.0
146.07263	2.0
150.75398	1.2
150.96890	51.6
151.03900	7.1
151.07535	2.7
151.11182	8.1
153.01080	1.5
153.05487	1.3
155.09273	3.5
155.97432	18.6
156.54272	1.2
161.09622	34.9
161.13268	5.5
165.05475	3.0
167.08519	1.5
168.97960	2.6
169.10126	2.7
173.98495	41.1
179.07300	5.7
179.10672	100.0
179.14255	4.5
180.10976	2.3
182.10822	1.7
197.00098	4.0
197.06111	2.5
197.08067	11.5
197.10167	3.0
197.11732	80.9
197.13203	4.9
198.18539	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Phenol A
Peak:m/z	Relative Intensity
50.96497	1.0
53.03931	2.2
55.01868	4.9
55.05509	19.3
55.93522	1.2
57.03427	1.2
57.07080	1.3
67.05517	2.3
69.03439	2.6
69.07056	2.6
69.99254	2.8
69.99650	2.0
70.95860	30.1
71.04978	2.7
72.93789	15.1
79.05484	4.6
81.07051	21.3
83.04961	3.0
83.08609	1.5
88.96890	6.3
90.94814	3.3
91.05464	5.2
93.07023	7.1
95.04948	4.5
95.06064	2.1
95.08616	3.2
97.06538	6.3
99.03866	1.6
99.04415	6.4
105.03391	22.5
105.07010	6.3
107.08589	11.8
108.95854	1.1
109.06514	11.6
109.10181	5.7
109.68423	1.2
111.04458	1.9
111.98471	25.0
113.08274	3.0
113.96399	3.9
119.08565	4.5
120.19811	1.1
121.06518	2.4
123.04424	7.8
123.08033	1.1
123.11703	1.3
123.55717	1.0
125.05987	71.5
126.06383	1.5
127.03905	25.2
127.95450	1.0
128.06177	1.4
129.99515	18.7
131.97427	3.0
132.95830	34.8
133.10123	14.7
135.11693	7.7
137.05977	100.0
137.09589	9.5
138.06371	2.2
143.08560	4.5
145.04996	1.3
147.03386	1.2
150.96889	89.3
151.03911	3.3
151.07549	2.6
151.11160	4.7
151.97159	1.4
153.01048	1.5
155.03401	1.2
155.09323	2.0
155.97421	33.8
161.09604	13.8
168.97940	5.3
173.98489	78.8
174.98938	2.2
179.07178	5.7
179.09132	1.9
179.10661	31.4
191.99629	2.2
197.00085	6.7
197.04433	1.4
197.08122	7.5
197.09911	1.9
197.10295	1.2
197.11745	28.6
197.13222	1.6
198.18538	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	197.1172
Annotation	Phenol A
Peak:m/z	Relative Intensity
53.03944	1.6
55.05500	2.7
57.03426	2.8
57.07073	1.1
59.04990	1.3
65.03922	1.3
66.50213	0.8
67.05507	5.8
68.99783	2.5
69.03407	1.7
69.07052	1.8
70.63324	2.2
70.63682	1.1
70.95865	1.2
71.04996	12.7
72.65744	0.8
72.93764	1.3
73.02955	0.8
79.05489	4.2
81.03406	1.2
81.07064	6.2
83.04959	1.6
83.08630	0.7
85.06525	3.7
91.05482	13.6
93.07043	14.0
95.04964	13.2
95.08592	3.5
105.07030	22.5
107.08596	49.0
108.08926	1.1
109.02862	0.9
109.06527	7.6
109.10145	4.0
110.03636	1.0
111.00761	0.8
111.08080	2.3
111.98446	1.4
113.06009	20.6
115.05420	1.3
119.04941	1.9
119.08576	5.7
121.06509	3.8
121.10185	1.0
123.04430	52.7
123.08069	2.0
123.11722	2.6
124.04812	1.0
125.05993	1.2
127.03897	4.4
129.99521	1.0
131.08553	2.4
133.06477	3.4
133.10129	48.5
135.08102	0.9
135.11691	47.2
137.05974	3.6
137.09596	2.8
137.13260	1.3
139.03896	24.8
146.07259	1.8
150.03207	0.8
150.96912	3.3
151.03932	4.0
151.07539	15.6
151.11156	4.4
153.01736	1.9
153.05458	1.2
155.03394	27.7
155.07036	2.2
155.09268	0.9
155.97414	1.6
161.06001	2.8
161.09621	24.6
169.10172	0.8
172.95096	1.1
173.98508	3.5
179.05432	1.9
179.07054	53.1
179.10661	82.2
180.11145	1.5
197.08098	100.0
197.11736	79.7
198.08469	2.4
198.12056	1.3
198.18495	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	197.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01863	5.0
55.05510	23.1
55.93514	0.9
57.03423	1.4
57.07067	1.3
59.06105	1.0
67.05495	2.6
69.03442	4.0
69.07056	2.4
70.93227	2.5
70.95512	1.2
70.95864	15.1
71.01328	1.0
71.04981	3.0
72.93793	8.2
73.02892	1.0
74.93847	1.0
79.05485	2.9
81.07059	14.9
83.04977	2.0
83.08592	1.2
88.96896	4.1
90.94823	2.4
91.05476	5.6
93.07047	5.2
95.04965	2.9
95.06095	1.5
95.08575	1.6
96.05665	0.8
97.06543	8.4
99.04459	11.1
105.03396	2.1
105.07028	6.6
106.97988	1.0
107.08607	8.1
109.06521	9.6
109.10152	2.9
111.04431	2.0
111.98471	11.4
113.06007	1.0
113.08253	2.9
113.96405	1.6
114.01788	0.7
114.94784	1.6
119.04906	1.2
119.08597	2.9
121.06487	1.0
121.10107	1.0
123.04408	1.8
123.11694	1.1
125.05989	100.0
126.06380	0.9
127.03914	37.1
128.04231	0.8
128.06165	0.9
129.99532	11.3
131.08525	0.9
131.97420	1.5
132.95830	20.1
133.10129	11.5
135.08072	0.9
135.11662	5.1
137.05978	87.1
137.09563	3.8
138.06474	1.1
141.05515	1.1
143.08516	2.5
145.04958	2.8
150.96886	52.9
151.03903	4.7
151.05013	1.1
151.07539	1.0
151.11183	3.4
151.97058	1.0
152.37335	0.7
153.01048	0.9
154.83777	0.7
155.09332	1.4
155.97426	19.8
160.98627	0.8
161.09608	11.7
168.97981	2.7
173.98489	41.9
174.98804	0.9
177.00815	1.1
179.07133	1.5
179.09248	2.4
179.10667	21.1
180.11142	0.9
182.10959	0.9
183.06195	0.8
191.99576	0.9
197.00075	3.7
197.08054	3.1
197.09944	2.0
197.11726	20.2
197.13281	2.2
198.18541	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	197.0809
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
53.03933	2.2
55.01854	0.9
55.05507	1.0
57.03425	2.4
57.07059	0.5
58.23658	0.4
67.05515	2.8
68.76317	0.6
68.99792	1.8
69.03441	0.7
70.95880	0.7
71.04647	0.8
71.04999	10.5
71.19747	0.5
79.05486	1.2
81.03421	1.2
81.07050	1.7
83.04974	1.5
85.02874	0.9
85.06538	2.5
91.05471	1.5
93.07029	1.4
95.04973	8.3
95.08589	2.0
96.60078	0.5
97.89884	0.5
101.70161	0.6
102.28320	0.5
104.90134	0.6
105.07018	2.7
107.08592	1.7
109.06541	4.6
111.04475	1.1
111.08073	1.8
113.06010	20.7
115.05388	0.8
119.08591	0.6
121.06478	0.6
123.04436	59.7
123.07999	1.0
127.03907	4.3
132.95854	0.6
133.06496	2.6
133.10146	2.9
135.06737	0.6
135.11710	1.6
137.02318	0.6
137.05980	1.8
139.03905	25.7
141.07021	0.8
150.03134	1.3
150.96883	2.1
151.03935	2.9
151.07555	17.0
153.01781	1.2
153.05440	2.0
155.03397	25.7
155.07016	1.6
155.08479	1.2
155.97403	1.1
161.05980	1.8
161.09644	0.9
167.08553	0.8
169.10115	1.0
171.68918	0.6
173.98500	1.8
179.07045	53.6
179.10457	3.0
180.07495	0.9
182.10854	0.9
197.08101	100.0
197.11574	2.9
197.12971	2.8
198.08363	1.1
198.18568	1.9
200.38162	0.6
207.68985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
53.03935	2.2
55.05492	2.4
56.96556	1.4
56.99741	0.7
57.03430	2.2
57.07064	0.9
59.04985	0.8
65.03944	1.0
67.05497	4.4
68.99783	2.0
69.03437	1.0
69.07064	1.8
69.35623	8.2
70.95864	6.0
71.04659	0.8
71.04998	10.3
72.93781	2.8
79.05492	2.1
81.03398	1.7
81.07053	3.9
83.04980	2.3
83.08605	1.0
85.06522	2.5
88.96899	1.3
90.94807	1.5
91.05460	3.2
93.07027	3.7
95.04972	8.3
95.08594	3.4
97.02912	0.8
99.04475	1.4
101.94730	0.8
105.03391	0.9
105.07032	6.8
107.08588	8.3
109.06509	4.7
109.10143	2.3
111.04462	1.1
111.08070	2.1
111.98481	6.7
113.06001	19.8
113.96453	0.9
115.39837	0.7
119.08574	1.6
123.04426	54.4
125.05981	1.4
125.39521	0.8
127.03930	4.3
129.99525	5.8
131.08578	1.0
132.95813	6.4
133.06447	3.6
133.10130	8.5
135.11713	6.4
137.05959	2.7
137.09631	1.8
139.03899	23.2
141.05502	1.5
141.06963	5.0
147.57426	0.8
150.03070	1.2
150.95680	1.7
150.96886	24.3
151.03886	4.1
151.07545	15.7
151.11154	1.1
153.01791	1.2
153.05501	2.1
154.07681	0.8
155.02113	1.2
155.03384	23.6
155.07039	2.7
155.08519	4.9
155.97432	10.0
156.09329	1.1
161.05963	3.1
161.09636	3.8
167.08569	3.7
168.09203	1.0
168.97913	1.9
169.10071	5.7
173.98491	22.7
179.07039	55.3
179.10620	13.9
182.10913	5.5
197.00070	4.4
197.08084	100.0
197.09445	3.8
197.11703	11.7
197.13260	16.0
197.17194	0.9
198.08472	1.7
198.11230	0.8
198.18489	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	197.0809
Annotation	Isosafrol glycol
Peak:m/z	Relative Intensity
52.07024	0.5
53.03947	1.8
55.01858	1.3
55.05510	2.7
57.03421	1.9
57.07076	1.2
67.05503	5.6
68.99791	2.8
69.03429	1.7
69.07076	1.8
69.85143	1.6
69.85548	1.3
70.95850	1.5
71.04996	11.1
79.05505	2.8
81.03408	0.8
81.07059	7.3
83.04980	3.3
83.08632	1.9
85.02908	1.1
85.06555	3.0
91.05476	2.3
93.07042	3.9
95.04971	10.3
95.08618	5.6
97.02884	0.8
97.06547	1.5
98.20780	0.5
99.04438	1.1
99.08080	0.7
105.03388	0.7
105.07034	6.6
107.04964	0.8
107.08562	3.7
109.02838	0.6
109.06511	5.5
109.10152	1.2
111.04427	1.7
111.08086	2.3
111.98483	1.4
113.06011	18.2
115.05435	0.9
119.08591	2.0
121.06466	0.6
121.10158	1.1
123.04430	86.1
123.08043	1.5
123.11640	0.6
124.04788	0.7
125.05991	0.8
127.03917	4.4
129.99501	1.3
132.95802	1.9
133.06487	2.3
133.10139	5.0
135.11703	4.1
137.05994	2.2
137.09583	0.5
137.13228	1.1
139.03900	21.4
149.06000	0.6
150.03156	1.2
150.96881	5.4
151.03951	3.1
151.07542	27.7
153.01811	1.0
153.05458	1.9
155.03389	21.4
155.07028	2.5
155.08485	0.9
155.97437	1.8
161.05981	2.6
161.09599	1.5
161.13292	3.4
167.08571	0.9
169.08693	0.5
169.10143	1.4
173.98491	3.9
179.07042	65.7
179.10493	4.4
179.14334	1.7
180.07388	1.6
182.10899	1.9
197.08093	100.0
197.11739	5.5
197.13264	3.4
198.08484	1.0
198.18517	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	197.0808
Annotation	Isosafrol glycol
Peak:m/z	Relative Intensity
53.03955	1.3
55.01883	1.2
55.05508	1.4
57.03432	1.8
57.07083	0.9
66.74635	0.4
67.05506	3.7
68.99798	2.2
69.03432	0.9
69.07065	0.6
70.95862	0.8
71.04994	9.3
72.93778	0.5
75.10244	0.4
79.05493	1.5
81.03432	0.7
81.07076	2.5
83.04973	1.8
83.08605	0.8
85.02906	1.3
85.06528	2.1
91.05509	2.1
93.07034	2.3
95.04974	8.4
95.08608	2.6
97.02847	0.5
99.04440	0.8
105.07047	2.9
107.04979	0.6
107.08598	2.1
109.06528	5.7
109.10159	1.1
110.03664	0.6
111.00850	0.6
111.04460	1.2
111.08100	2.0
111.98520	1.0
113.06010	16.1
115.05461	0.8
119.08573	0.9
121.06499	0.5
123.04431	86.7
123.08026	1.1
123.11673	0.5
124.04723	1.1
125.06049	0.8
127.03909	3.4
129.99493	0.6
132.95840	1.0
133.06479	2.5
133.09230	0.5
133.10066	2.5
135.11676	2.2
137.06015	3.2
137.09576	0.5
138.65343	0.5
139.03900	18.3
141.05405	0.8
141.06985	2.6
150.03110	0.9
150.96864	3.2
151.03894	2.8
151.07549	28.0
151.11191	0.6
152.07877	0.6
153.05496	1.2
153.06891	0.6
154.07726	0.5
155.03392	19.4
155.07034	2.1
155.08572	1.8
155.97421	1.8
161.05957	2.2
161.09654	1.2
161.13284	0.7
167.08549	1.4
169.10173	2.2
173.98489	2.8
179.07040	69.6
179.10437	3.8
179.14261	0.9
180.07428	1.2
182.10880	2.3
197.08098	100.0
197.11737	3.7
197.13274	6.4
198.08411	1.9
198.18533	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
54.43097	0.4
55.01879	2.1
55.05499	1.3
55.93513	0.8
56.05038	0.5
57.03426	0.7
57.07059	0.8
59.06116	1.2
60.04518	0.4
63.77209	0.4
65.03938	1.5
67.05500	2.7
68.05018	0.5
69.03418	0.7
69.07071	0.8
69.86469	0.4
70.68886	0.9
70.69249	0.7
70.95869	10.8
71.01375	0.4
71.04985	1.1
71.06083	0.5
72.08178	0.5
72.93785	5.9
73.02921	21.7
75.44249	0.4
79.05495	1.8
81.03410	0.6
81.07060	2.9
83.04978	1.9
84.04501	0.8
84.08141	0.9
85.02899	0.7
85.07700	0.4
87.05613	0.5
88.96920	2.9
90.94836	1.9
91.03947	0.9
91.05490	3.9
93.07068	2.4
94.00633	0.4
95.04983	2.3
95.06087	1.3
95.08615	2.0
96.05614	1.0
96.96176	0.6
97.02926	0.6
97.06515	1.1
97.07623	0.5
99.04465	0.9
105.03415	1.3
105.07031	2.1
107.04929	0.8
107.08608	4.6
108.02116	1.5
108.95844	0.8
109.02885	0.5
109.06520	1.9
109.07658	0.5
109.10145	1.3
110.03653	2.6
111.04443	2.4
111.98476	9.8
113.08255	6.3
113.96406	1.5
114.94854	0.5
119.01976	0.5
119.04943	2.3
119.08589	1.0
120.08100	0.5
121.06555	0.5
121.10129	0.8
123.04449	0.9
123.08064	1.2
125.05999	19.4
127.03894	0.5
129.99522	8.8
131.97412	1.0
132.95840	12.0
133.02853	1.6
133.10147	4.7
135.08055	0.5
135.11720	2.8
137.05994	3.7
137.08241	2.9
137.09624	1.1
138.06641	1.2
141.05484	3.3
147.04448	0.7
149.05997	2.3
150.96896	36.7
151.03912	100.0
151.04982	5.8
151.07442	4.1
151.11176	1.3
152.04251	0.7
153.01129	1.1
155.09422	2.7
155.97433	14.1
155.98726	0.7
156.09337	0.6
161.08328	0.5
161.09628	1.7
163.03998	0.6
165.05495	0.9
167.08693	0.4
168.97968	1.8
169.10176	0.7
170.02863	0.4
173.98499	32.9
179.07051	24.6
179.09247	1.7
179.10588	6.1
179.14220	0.9
180.07542	0.5
182.10904	1.1
191.99522	0.8
197.00104	3.5
197.06175	0.8
197.08113	10.9
197.10205	1.3
197.11761	6.2
197.13293	2.2
197.14932	0.5
197.17303	0.5
198.18553	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.73158	0.8
53.03934	2.0
55.01868	1.2
55.05501	2.5
55.12964	0.7
56.05449	0.9
57.03436	1.9
57.07080	1.1
59.06118	1.3
65.03926	1.5
67.05501	5.5
68.99785	4.1
69.03424	1.9
69.07053	3.0
69.87215	1.8
69.87638	3.4
70.95862	7.5
71.01351	1.3
71.05000	11.7
72.93791	4.9
79.05479	2.9
81.03411	1.1
81.07061	6.4
83.04974	3.6
83.08622	1.1
85.02920	1.4
85.06546	3.1
85.49796	0.9
88.96935	1.1
90.94807	1.0
91.05482	6.8
93.07053	5.0
94.04213	1.0
95.04977	11.7
95.08603	4.3
97.06541	2.1
97.18042	0.9
98.21452	0.8
99.04454	1.3
105.03386	0.9
105.07044	6.7
107.04933	1.0
107.08601	8.1
109.02882	0.9
109.06524	8.2
109.10172	2.7
111.00894	1.0
111.04426	1.4
111.08066	2.3
111.98495	8.0
113.06013	16.6
113.08247	2.4
115.05482	1.3
119.04944	2.0
119.08594	2.6
121.06512	1.1
121.10147	0.9
123.04435	83.1
123.08054	2.6
123.11697	1.0
125.05981	2.6
127.03896	3.2
129.99527	6.1
131.97430	1.1
132.95828	9.0
133.02878	1.3
133.06488	2.4
133.10126	8.6
135.11707	7.2
137.05984	7.6
137.09621	2.0
139.03896	19.4
141.07013	4.5
147.96925	0.9
150.03151	1.5
150.96895	27.5
151.03946	4.7
151.07542	29.0
153.05466	2.2
153.07021	1.3
154.07852	0.8
155.03403	20.9
155.04579	1.7
155.07051	2.7
155.08542	6.4
155.97437	9.8
156.09349	2.0
161.06004	1.8
161.09679	4.2
161.13283	2.4
165.05510	2.0
167.08574	3.2
169.10165	3.8
173.98491	23.9
179.07057	62.2
179.10593	12.5
179.14284	2.0
180.07306	1.1
182.10834	4.1
191.99522	1.1
197.00101	4.1
197.08102	100.0
197.09514	4.3
197.11726	11.0
197.13287	13.8
198.08345	1.3
198.18529	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	197.081
Annotation	Isosafrol glycol
Peak:m/z	Relative Intensity
53.03933	2.2
57.03432	1.7
65.03931	0.9
67.05497	2.9
68.26097	0.8
68.99790	3.6
69.30151	2.0
69.30569	7.1
70.95875	1.4
71.04702	0.7
71.05003	7.4
72.93771	0.9
77.92022	0.7
79.05484	1.7
80.99043	0.8
81.07049	1.3
83.04969	0.8
83.85547	0.8
85.02895	1.6
85.06535	2.6
85.42406	0.7
91.05492	1.9
93.07035	1.5
95.04976	8.6
98.20792	2.0
105.07056	3.7
107.08611	3.9
108.27338	0.8
109.06516	4.6
110.03675	1.2
110.33578	0.9
111.04436	1.4
111.08092	2.7
111.98473	0.8
113.06014	13.8
115.05414	0.9
121.10173	0.8
123.04438	100.0
123.08043	1.3
124.04754	1.0
127.03947	2.3
132.95847	2.3
133.06480	2.7
133.10144	3.0
137.06024	1.5
139.03909	18.4
150.03148	1.4
150.96947	4.3
151.03896	2.0
151.07550	27.2
153.05463	1.0
155.03410	18.3
155.06981	1.5
155.97380	1.9
161.06032	1.2
173.98470	2.9
177.05380	0.8
179.07043	59.7
179.10547	2.4
180.07414	1.1
197.08101	79.2
197.11792	3.5
198.08395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
53.03939	2.1
55.01860	0.6
55.05514	0.7
57.03432	1.5
57.07070	0.6
67.05504	2.6
68.99779	2.1
69.03432	0.6
69.07069	0.6
69.68959	0.4
70.78309	1.1
70.95853	1.2
71.04990	10.8
72.93784	0.8
73.02906	0.4
74.47512	0.3
79.05492	0.9
81.03439	0.9
81.07059	2.0
83.04977	0.9
85.02889	0.6
85.06551	2.9
91.05492	1.8
93.07057	1.5
95.04965	7.4
95.08601	1.3
96.35366	0.3
100.69226	0.4
102.47774	0.4
105.07037	3.3
107.05058	0.5
107.08592	2.9
109.06512	4.5
109.10157	0.7
111.00774	0.4
111.04411	0.9
111.08073	2.2
111.98493	1.2
112.50801	0.4
113.06001	20.2
114.06316	0.6
115.05428	0.5
119.04970	0.6
119.08527	0.9
123.04426	55.5
123.08014	0.8
124.04673	0.5
125.06004	0.7
127.03907	4.0
129.99519	1.1
132.95876	2.4
133.06494	2.6
133.10139	3.1
135.11702	3.2
137.02393	0.8
137.05974	1.5
137.09607	0.6
138.05443	0.4
139.03900	20.4
141.06866	0.4
142.95753	0.4
150.03116	1.1
150.96870	5.6
151.03906	3.6
151.07541	17.9
151.11089	0.8
153.01834	0.8
153.05466	1.5
154.07710	0.7
155.03386	26.9
155.07037	2.4
155.08446	0.8
155.97408	1.8
156.09264	0.4
161.05995	2.7
161.09595	1.3
162.61717	0.4
164.04660	0.5
167.08508	1.0
169.10110	1.5
173.50467	0.4
173.98494	5.0
179.07031	53.7
179.10526	4.6
180.07341	0.9
182.10916	1.1
197.08086	100.0
197.09462	3.8
197.11768	3.5
197.13266	4.5
198.05389	0.4
198.08421	1.7
198.18559	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02399	0.7
53.03939	1.6
54.42009	0.6
55.01874	1.1
55.05512	1.3
57.03429	1.9
57.07061	1.3
67.05495	3.7
68.99796	2.2
69.03433	1.1
69.07082	1.0
70.58875	2.6
70.95868	2.8
71.01356	1.0
71.04993	8.0
72.93784	2.6
73.02936	0.9
77.11735	0.7
79.05509	1.9
81.03415	1.5
81.07043	3.5
83.04970	2.7
83.08608	0.8
84.25318	0.7
85.02908	1.9
85.06535	1.9
88.96910	1.1
89.48961	0.6
91.05479	1.9
93.07040	3.7
95.04973	9.0
95.08601	3.0
97.02885	0.7
99.44306	0.6
101.32078	0.6
105.06998	6.4
107.08593	6.5
109.06517	5.7
109.10151	1.6
111.04445	2.3
111.08070	2.3
111.98450	3.2
113.06013	16.9
115.05431	0.9
119.08554	1.3
121.06496	0.7
121.10149	1.4
123.04430	88.2
123.08051	1.6
124.04749	1.1
125.06005	1.6
127.03899	3.4
129.99474	1.5
132.95824	2.5
133.06482	2.7
133.10115	5.6
135.11688	5.1
137.02386	0.9
137.05995	3.0
137.09622	1.2
139.03900	18.4
141.05421	0.7
141.06981	1.1
144.51991	0.6
148.50636	0.7
150.03157	1.3
150.96904	11.5
151.03960	4.5
151.07541	29.3
151.11191	1.3
152.07918	0.6
152.20039	0.6
153.05481	1.5
155.03398	19.8
155.07014	2.3
155.08495	1.4
155.97426	3.5
161.06020	1.8
161.09650	3.2
161.13266	1.2
167.08534	1.4
168.97870	0.8
169.10106	2.3
173.98506	8.5
179.07037	67.3
179.10580	9.5
180.07437	1.2
182.10849	3.2
197.00107	1.9
197.08093	100.0
197.11732	9.2
197.13269	5.6
198.08409	1.9
198.18535	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	197.0808
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
53.03949	2.6
53.80003	0.5
55.01865	1.4
55.05503	1.9
56.96570	0.9
57.03422	2.5
57.07066	1.7
59.04976	0.7
67.05504	4.0
68.99793	3.0
69.03407	1.2
69.07051	1.7
69.61319	4.5
70.00084	0.5
70.95860	5.3
71.01347	5.7
71.04990	11.9
72.93784	2.6
79.05476	2.4
81.03410	1.5
81.07057	3.8
83.04972	1.4
83.08611	1.4
85.02862	0.5
85.06551	4.1
88.96841	0.8
91.05457	3.5
93.07038	4.3
93.26740	0.5
95.04968	8.9
95.08610	2.8
97.02874	0.6
97.06518	1.3
98.21463	1.1
99.04481	0.6
105.07009	6.4
107.04937	0.8
107.08590	9.4
107.47758	0.5
109.02903	0.7
109.06503	6.5
109.10163	3.8
111.00811	0.6
111.04446	0.6
111.08068	1.8
111.98470	5.0
113.06008	20.4
113.08244	1.5
113.96383	1.1
115.05428	1.2
119.08551	1.3
121.06472	1.1
121.10179	0.6
123.04423	52.0
123.08047	1.5
123.11676	1.4
125.05957	1.5
125.09628	1.0
127.03921	3.2
129.99512	3.3
132.95836	5.4
133.02753	0.7
133.06511	3.1
133.10126	7.9
135.04422	0.7
135.11699	7.5
137.02271	0.7
137.05984	3.5
137.08214	1.3
137.09633	1.2
139.03899	23.5
141.05444	1.2
141.07060	1.0
150.03078	1.0
150.96886	16.7
151.03909	5.2
151.07541	16.7
151.11116	1.4
153.01990	0.8
153.05437	1.5
153.06721	0.6
155.03392	29.3
155.07036	2.8
155.09396	1.0
155.10585	3.8
155.97412	6.7
161.05974	2.4
161.09616	3.7
167.39021	0.5
168.97986	0.9
169.10089	1.6
173.96983	0.6
173.98479	14.5
179.07033	52.3
179.10616	13.2
182.10800	0.6
197.00105	2.0
197.08089	100.0
197.11728	15.3
197.13268	2.5
198.08363	1.8
198.18500	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	197.0808
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
53.03939	1.7
55.01865	1.4
55.05500	1.4
55.05752	0.6
57.03441	2.6
57.03671	0.5
57.07075	0.8
65.46889	0.5
67.05512	2.8
68.99788	1.8
69.03410	1.2
69.07055	0.9
70.95856	2.7
71.01328	0.5
71.04995	10.1
72.93777	1.4
79.05486	1.0
81.03396	0.8
81.07045	3.3
83.04977	1.4
83.08610	0.7
85.06530	2.5
88.96875	0.6
91.05473	1.7
93.07039	1.3
95.04969	6.9
95.08581	2.0
97.02881	0.6
99.04462	0.6
105.07014	3.2
107.04970	0.7
107.08589	3.1
109.02811	0.7
109.06507	3.5
109.10178	0.7
111.04421	0.8
111.08073	2.4
111.98479	2.5
113.06002	18.7
115.05462	0.9
119.04982	0.6
119.08550	1.0
123.04431	52.4
123.08044	1.0
124.04806	0.5
125.05991	0.9
127.03925	4.2
127.07549	0.9
129.99513	2.4
131.97540	0.5
132.95816	3.9
133.06525	3.3
133.10117	4.3
134.63290	0.5
135.11699	3.2
137.05995	1.7
137.09593	0.6
139.03906	21.4
141.07082	0.7
150.96896	10.3
151.03894	3.6
151.07544	19.6
153.01888	0.7
153.05473	2.2
154.07777	0.9
155.02098	1.1
155.03386	23.0
155.07025	2.0
155.08446	1.0
155.97417	4.5
161.05989	2.2
161.09636	1.9
161.13229	1.1
161.76108	0.5
167.08516	0.9
168.97951	0.7
169.10107	0.8
173.98503	8.4
179.07037	55.3
179.10501	3.8
179.14215	0.8
180.07339	0.9
182.10896	1.7
197.00099	2.1
197.08095	100.0
197.11790	4.3
197.13257	3.2
198.08408	1.2
198.18591	3.2
207.88359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
52.81925	0.6
53.03937	2.2
55.01848	0.6
55.05507	1.3
56.96573	0.8
57.03425	2.0
57.07064	1.1
63.93736	0.6
67.05489	3.4
67.84825	0.8
68.99780	1.9
69.03407	1.1
70.95867	3.0
71.04989	11.0
72.69687	0.7
72.93774	1.6
76.79904	0.5
79.05464	1.1
81.07056	2.7
81.18002	0.6
83.04964	1.0
85.00264	0.5
85.06561	3.0
91.05479	1.7
93.07026	1.9
95.04968	8.9
95.08588	1.7
105.07009	3.3
107.08588	4.6
109.02863	0.7
109.06512	4.1
109.10142	0.7
111.00810	0.9
111.08092	1.3
111.98481	2.0
113.05996	18.8
115.05402	1.0
119.04908	0.8
119.08557	1.1
121.06522	0.7
123.04420	56.3
125.05978	1.0
127.03914	4.1
129.99493	2.0
132.95831	3.6
133.06464	3.3
133.10132	4.1
135.11662	4.2
137.05965	2.3
137.09602	0.8
139.03894	24.6
141.05331	0.7
141.06969	0.9
150.03094	1.5
150.96895	8.8
151.03929	4.5
151.04926	0.8
151.07535	17.4
153.05513	1.5
154.02470	0.7
154.07780	1.0
155.03375	27.3
155.07013	3.6
155.08443	1.4
155.97418	4.7
161.05980	1.7
161.09633	1.9
167.08508	0.9
169.10103	2.0
173.98479	7.7
179.07031	54.4
179.10577	7.7
180.07401	1.2
182.10872	2.1
197.08083	100.0
197.09456	3.6
197.11743	6.7
197.13246	4.2
198.08444	1.9
198.18509	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
50.10842	0.6
53.03938	2.3
56.35818	0.7
57.03436	1.6
67.05494	2.2
68.99792	2.6
69.07027	0.8
69.37911	6.7
70.05423	0.7
70.95867	0.7
71.04991	11.9
73.51518	0.8
79.05495	1.2
79.16741	0.6
81.07042	2.1
81.64954	0.6
83.04989	1.2
85.06538	3.0
91.05471	1.3
93.07034	1.6
95.04977	6.6
95.08599	1.0
96.38697	0.6
105.07014	2.3
107.08589	2.5
109.06534	3.9
111.04445	0.6
111.08080	1.8
111.98510	1.0
113.06004	21.4
113.08233	0.8
115.05422	0.8
123.04430	44.5
123.08067	0.8
127.03909	3.5
132.95836	0.9
133.06487	2.2
133.10147	2.7
135.11707	2.0
135.18361	0.7
137.05980	1.7
139.03906	22.8
148.00708	0.7
150.03036	1.1
150.96875	2.8
151.03911	3.0
151.07544	14.0
153.01849	0.8
153.05400	1.4
155.03394	22.8
155.07002	2.7
155.97437	1.3
161.05971	2.5
161.09599	2.3
173.98482	2.3
179.07040	45.2
179.10538	3.1
180.07445	0.8
188.64694	0.7
197.08098	100.0
197.11717	3.9
198.08536	1.2
203.29303	0.7
203.90251	0.7
212.82837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
53.03936	2.4
56.96565	0.6
57.03423	1.7
57.07072	1.0
67.05495	3.0
68.99778	1.4
69.03419	0.8
69.07040	0.9
70.95861	3.6
71.04990	10.7
71.09170	1.4
72.93777	2.3
77.10950	0.6
79.05498	1.3
81.03453	0.6
81.07046	2.9
83.04990	1.0
85.06542	3.2
88.96883	0.8
90.94832	0.7
91.05461	1.9
92.29137	0.6
93.07025	2.4
93.26417	0.6
95.04965	8.1
95.08593	1.6
101.52144	0.6
105.07027	3.5
107.04929	0.7
107.08598	5.2
109.06542	4.0
109.10176	1.6
109.28352	0.7
109.29089	0.7
111.04367	0.7
111.08068	1.7
111.98486	3.7
113.06005	18.7
113.64330	0.8
113.96367	0.8
115.05437	0.9
119.04967	0.8
119.08553	1.5
123.04427	48.3
123.07979	0.8
124.04691	0.7
127.03915	3.8
129.99518	2.4
132.95842	5.7
133.06491	2.0
133.10124	3.6
135.11681	3.8
137.05948	2.1
137.09514	0.7
139.03894	20.8
141.06999	1.0
150.03079	0.9
150.96904	15.3
151.03900	4.2
151.07535	18.7
153.01974	0.8
153.05440	2.2
153.06961	0.7
155.03401	25.7
155.06992	3.2
155.08437	1.0
155.97403	6.7
161.05986	2.1
161.09622	2.2
161.13364	0.8
167.08591	1.4
169.10124	1.3
173.98497	14.8
179.07040	56.0
179.10561	5.9
182.10901	2.6
197.00085	2.8
197.08092	100.0
197.11732	6.4
197.13283	6.0
198.08423	1.8
198.18533	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	197.0805
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
53.03924	2.2
55.01858	1.4
55.05495	1.9
57.03418	2.3
57.07067	1.7
57.54132	0.7
67.05487	3.0
68.99779	1.7
69.03416	1.3
69.07071	0.9
69.59154	5.2
70.95865	3.5
71.01334	1.0
71.04986	12.1
72.93775	1.7
79.05485	1.9
79.40427	0.8
81.03397	1.1
81.07051	4.6
83.04961	1.5
85.02895	1.2
85.06521	2.7
88.96904	1.3
91.05471	2.2
93.07035	2.9
95.04949	9.3
95.08598	2.3
99.04448	1.6
105.07011	4.5
107.04922	1.3
107.08589	7.2
109.06529	5.6
109.10125	1.9
111.04465	1.3
111.08060	1.7
111.98472	2.6
112.60298	0.7
113.05221	1.3
113.05997	21.1
119.08591	1.7
121.06506	0.8
123.04421	52.5
123.08046	0.9
123.11681	1.4
125.06003	5.4
127.03891	5.8
129.99501	2.1
132.95808	3.1
133.06471	3.0
133.10127	6.2
135.11673	5.6
137.05962	7.7
137.09604	1.1
139.03893	23.5
141.05530	0.8
141.06956	1.4
143.08499	0.9
150.03128	1.3
150.96858	11.1
151.03940	5.0
151.07535	18.1
151.11208	1.2
153.01830	1.4
153.05460	3.0
155.03381	27.0
155.07013	3.0
155.08470	2.2
155.97415	3.1
161.05957	2.4
161.09633	4.4
161.13345	0.8
167.08537	1.4
169.10115	2.8
173.98500	8.4
179.07028	57.9
179.10606	11.9
180.07352	1.2
182.10954	1.4
197.00078	1.3
197.08084	100.0
197.11722	10.6
197.13271	6.5
197.17094	0.8
198.08380	0.8
198.18558	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	Isosafrol glycol
Peak:m/z	Relative Intensity
53.03936	2.4
57.03437	2.7
65.36138	0.7
67.05509	3.4
68.99799	2.7
69.03424	1.2
69.07095	0.7
69.58227	5.1
69.58635	1.7
70.95867	2.0
71.04995	8.6
79.05496	1.3
81.03410	0.9
81.07066	2.5
83.08604	1.0
85.02948	1.0
85.06549	2.0
91.05467	1.2
93.07047	1.6
95.04969	9.0
95.08604	0.9
98.21481	1.3
105.07000	3.9
107.08557	4.0
109.06508	5.2
110.36651	0.7
111.04427	1.8
111.08101	1.6
111.98464	1.7
113.06004	16.2
113.08163	0.7
119.08592	1.1
121.06498	1.1
123.04427	98.9
124.04784	1.0
127.03912	2.1
129.99519	0.7
132.95865	1.7
133.06503	2.3
133.10129	2.9
135.11708	2.7
137.05966	1.8
139.03903	17.1
150.03140	1.1
150.96860	4.9
151.03911	2.1
151.07549	26.5
153.01752	1.0
153.05539	1.5
155.03383	20.2
155.07051	2.4
155.97456	2.1
161.05965	2.7
161.09599	1.0
169.10213	0.7
173.98468	5.0
179.07037	72.5
179.10414	3.5
183.08299	0.6
197.08089	100.0
197.11804	2.9
197.13290	2.8
198.08466	1.3
198.18617	0.8
207.55968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03935	2.9
55.01865	1.5
55.05512	4.5
56.96563	0.8
57.03421	3.0
57.07067	1.1
59.06102	0.7
59.62859	0.6
64.23754	0.7
67.05502	7.4
68.99784	2.0
69.03416	2.2
69.07064	4.4
70.75253	1.7
70.95860	10.4
71.04993	12.8
72.93787	4.7
73.02934	0.7
73.48367	0.7
79.05499	4.9
81.03413	1.6
81.07056	13.4
83.04990	3.1
83.08629	3.2
85.02894	1.4
85.06536	5.5
88.96922	3.4
90.94836	1.6
91.05482	6.2
93.07042	8.0
95.04969	10.9
95.08602	14.4
97.02894	0.8
97.06512	4.3
97.10155	0.7
98.97617	1.0
99.04424	1.3
99.08102	0.7
101.07114	0.8
105.07038	9.1
107.04951	0.9
107.08595	12.6
108.95901	0.8
109.02873	0.9
109.06523	6.2
109.10165	3.7
111.04421	1.0
111.08070	2.8
111.98483	9.2
113.06007	19.7
113.96399	2.0
115.05451	1.0
116.98647	1.0
117.07017	0.6
119.04929	1.0
119.08594	5.5
121.06490	1.7
121.10126	2.6
123.04427	55.4
123.08057	2.4
123.11710	1.2
124.04753	0.9
125.05999	1.7
127.03891	4.3
127.07561	0.8
129.99506	8.7
131.97417	1.4
132.95834	11.3
133.02820	1.4
133.06465	2.4
133.10133	13.2
135.11693	10.8
137.02333	0.8
137.05992	5.0
137.09624	2.1
137.13248	3.1
139.03905	24.5
141.05428	0.8
141.06999	0.8
141.09120	0.9
146.07236	0.9
150.03136	1.2
150.96880	37.6
151.03943	5.2
151.07545	17.9
151.11136	1.8
153.00989	1.2
153.05441	2.2
155.03394	28.7
155.07016	2.2
155.08447	1.5
155.97414	12.8
161.05984	2.3
161.09624	5.1
161.13269	8.9
164.52982	0.7
165.05533	1.3
167.08551	1.9
168.97940	2.3
169.08751	0.7
169.10130	2.9
173.98495	29.8
177.00920	0.7
179.07040	53.7
179.10617	17.6
179.14224	4.9
182.10913	2.8
191.99478	0.8
197.00079	5.9
197.08092	100.0
197.11720	14.4
197.13286	7.9
197.15387	2.5
197.17183	0.8
198.08435	1.9
198.18506	3.6
207.45023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01874	2.6
55.05511	2.5
55.93523	1.0
56.96567	52.2
57.03439	17.2
57.07069	2.2
59.04995	4.9
60.04532	1.2
60.08160	5.3
61.02924	5.4
67.05505	2.0
68.05022	2.0
69.03432	49.8
69.07082	1.5
70.03764	1.9
70.06590	1.2
70.36382	2.7
70.95868	27.2
70.98120	1.7
71.01353	2.2
71.04988	2.2
72.04540	0.9
72.08148	0.9
72.93798	12.6
73.02921	12.3
74.06105	1.1
74.97601	1.1
75.04482	2.5
77.00912	1.3
79.05490	2.1
81.03419	6.9
81.07051	2.3
83.05000	7.6
83.06110	1.5
83.08624	0.9
84.04513	2.3
84.08109	0.9
85.02910	37.3
85.06572	1.0
86.03227	1.2
86.09722	1.4
87.04475	21.7
88.96908	7.8
88.99202	1.3
90.94838	4.5
91.03974	1.6
91.05512	2.6
92.01319	1.3
93.07051	2.7
94.99859	1.0
95.04987	2.4
95.06099	21.2
95.08616	2.3
96.05630	1.8
97.01511	1.4
97.02897	50.0
97.06533	2.1
98.03227	2.2
98.97575	8.9
99.04479	5.8
100.02512	1.2
101.00893	3.2
103.02431	1.9
103.03952	1.3
105.00332	0.9
105.07031	2.6
106.97937	1.0
107.04965	1.9
107.08602	6.5
108.95877	1.9
109.02878	7.0
109.06544	1.7
109.07638	1.0
109.10168	1.4
110.03705	3.6
110.97573	7.9
111.97716	1.5
111.98486	25.5
113.00864	2.2
113.08250	5.0
113.96430	3.8
114.94801	1.4
115.02482	5.6
115.03944	17.3
115.97820	1.4
116.30516	0.8
116.98618	7.4
117.01935	1.7
117.03113	0.7
117.03994	5.2
117.05521	1.5
118.01083	0.9
118.03523	2.1
119.01927	15.4
119.02710	1.7
119.04907	1.3
119.08610	1.0
120.02043	1.7
120.05608	1.2
121.01561	1.3
121.03493	1.1
123.04468	2.2
123.08058	1.0
123.11701	0.8
125.06017	2.0
127.00656	1.2
127.03940	4.6
128.02313	1.1
128.98610	17.3
129.99518	22.0
130.01814	2.1
131.00188	1.1
131.01906	16.2
131.02840	1.5
131.04459	1.2
131.97453	2.8
132.02045	1.9
132.05127	1.5
132.95837	33.1
133.01535	1.2
133.03458	12.4
133.04956	5.5
133.06575	1.0
133.10143	5.7
134.99692	5.5
135.05142	8.9
135.11711	3.8
137.02943	5.3
137.04587	1.1
137.05980	2.9
137.08205	2.8
138.06718	0.9
140.05000	13.7
140.55148	2.0
143.01909	5.4
145.01678	2.4
145.03458	6.7
145.05013	1.1
146.03227	1.3
146.99661	19.5
147.01405	1.3
147.04323	1.1
148.02814	2.7
149.02960	3.5
149.05609	1.8
150.01776	1.0
150.06158	1.8
150.96896	100.0
151.03847	1.4
151.11255	1.3
151.55768	1.2
152.00221	1.4
153.00822	2.6
154.13429	6.2
155.01926	10.9
155.09322	5.8
155.97429	34.1
155.99545	1.9
156.01968	1.0
156.98061	3.1
157.03484	2.2
159.03918	1.8
159.05051	10.6
160.05157	1.3
160.97626	1.0
161.01610	1.5
161.02960	12.4
161.06633	2.1
161.08246	0.8
161.09584	2.3
162.03177	1.9
163.02818	5.8
163.04539	4.7
164.04660	1.1
165.00735	4.5
165.03123	3.0
168.97952	6.4
171.05045	14.6
172.05197	1.1
172.95247	5.3
173.01379	1.4
173.02960	14.2
173.05295	1.1
173.06516	4.7
173.98499	82.8
174.00655	5.8
174.03658	6.4
174.06058	6.7
174.99161	29.7
175.00723	1.2
175.02571	1.2
175.04527	1.5
176.05258	2.0
177.00777	2.0
177.04390	1.4
177.06114	7.2
178.06232	1.1
179.09259	3.1
179.10690	9.7
179.14305	1.1
183.04240	2.8
185.02977	3.0
185.05611	10.2
189.04404	2.0
189.06055	14.8
190.06252	2.1
190.96324	3.2
190.98727	2.0
191.07634	1.6
191.99431	1.8
192.01836	4.3
192.07246	2.6
193.00226	66.4
193.01617	2.5
196.56555	1.9
197.00127	6.1
197.06244	1.4
197.10295	1.4
197.11758	7.9
197.13269	1.6
198.00752	2.5
198.06046	1.2
198.12425	2.1
198.18581	3.2
200.07887	1.1
201.06108	7.1
202.06233	1.1
203.03902	4.6
203.07663	1.8
207.05417	2.0
211.01303	7.3
212.07686	1.2
212.16272	1.0
213.06125	2.6
216.01855	3.1
219.07133	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	195.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	57.9
56.05028	17.0
57.07078	25.7
57.73567	5.3
58.06608	6.8
59.06121	14.9
67.05500	7.9
68.05016	10.3
68.96341	8.0
69.06717	8.3
69.07070	100.0
69.34939	3.9
69.55842	4.2
70.06593	25.6
71.06126	7.5
71.08621	7.8
71.61366	6.0
72.08154	8.8
72.16854	4.1
73.47179	4.7
79.05494	12.0
81.07054	10.0
82.06576	6.1
83.06105	14.5
83.08612	55.0
84.05607	5.5
84.08154	9.6
85.07671	13.8
86.06039	4.7
87.09206	4.8
89.06016	10.3
91.05471	7.2
93.07066	10.0
94.06587	8.2
95.06113	9.5
95.08627	11.7
96.08144	10.7
97.07671	16.5
97.10194	38.1
99.09190	6.3
107.05003	9.2
107.08605	11.9
108.19228	4.8
109.06554	5.8
109.07631	21.7
109.98965	8.8
110.07174	18.8
111.05607	5.6
111.06712	9.1
111.09200	33.9
111.11738	13.4
112.08737	26.0
113.10770	7.9
114.10307	7.6
117.03374	9.6
121.10131	6.2
122.07160	5.8
124.08731	8.9
125.10738	7.0
125.13203	5.3
126.10252	8.9
128.00024	5.4
130.96304	11.0
131.08644	7.3
131.96078	5.8
135.09169	4.6
136.08687	22.4
137.09738	8.2
137.10764	16.6
138.05478	4.7
138.06606	6.7
138.10280	19.3
141.05362	6.4
145.02873	20.0
148.97395	25.6
149.05956	5.4
149.97243	19.1
150.06573	5.9
151.09798	8.2
152.11815	13.3
153.07753	10.8
153.08911	5.3
153.11308	15.9
153.97928	14.8
154.09709	8.5
154.97762	6.9
155.12973	9.9
163.03928	32.7
171.98973	30.4
172.98813	13.7
177.05475	21.7
177.09056	8.0
177.11465	6.6
178.13425	11.1
179.12933	10.7
195.00589	13.6
195.02905	7.4
195.06453	6.4
195.08699	14.1
195.12352	31.3
195.14307	18.7
195.16008	33.4
196.00508	6.3
196.15523	11.4
196.17024	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
51.11384	1.7
53.03927	1.8
55.01867	3.6
55.05516	15.9
57.03425	1.9
57.07069	8.2
61.74322	1.8
62.22127	1.8
67.05511	13.4
69.03425	5.2
69.06728	2.3
69.07076	29.0
70.16331	3.6
70.16743	5.2
71.05009	8.5
73.05401	1.9
77.62683	2.1
79.05495	22.1
81.07058	41.4
83.04958	4.0
83.08617	15.0
85.06564	4.0
89.03915	16.8
89.06025	3.9
90.04292	1.7
91.05502	12.3
93.07043	35.7
95.04968	7.6
95.08609	52.4
97.06540	4.8
97.10166	5.8
97.37604	1.6
98.21415	1.9
99.04460	1.6
99.07581	1.8
99.08108	22.1
103.05472	4.6
103.78566	1.5
105.07043	9.9
105.31417	1.7
107.04961	25.5
107.07854	3.3
107.08598	56.2
109.06504	2.4
109.10162	16.5
111.04491	2.4
111.08086	10.0
111.11727	2.3
113.09625	3.1
115.05476	2.1
117.03383	35.7
117.07047	2.0
119.08540	2.2
121.06506	3.4
121.10149	67.3
123.08045	2.4
123.11678	8.6
125.05976	3.2
125.09637	18.1
130.96361	2.4
131.08575	2.0
131.96091	1.8
133.10133	3.5
134.03627	5.7
135.04417	12.0
135.08110	9.3
135.11688	32.5
137.13260	54.9
138.06688	1.9
139.07530	3.5
139.11172	3.5
145.02852	72.2
146.03242	1.8
148.97336	2.7
149.06006	20.5
149.09624	4.9
149.13261	9.0
149.97157	2.0
153.05429	3.1
154.06146	2.0
159.11693	4.2
163.03938	22.9
163.07552	10.1
167.07095	7.5
167.08488	2.2
171.98895	2.6
177.05479	100.0
177.09064	3.0
177.12772	6.0
177.16396	96.5
178.05840	4.4
178.16783	2.7
180.09520	1.8
186.05507	3.9
195.02893	3.3
195.06509	8.3
195.08394	3.4
195.10197	12.8
195.11867	4.3
195.13832	6.4
195.15805	2.8
195.17453	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03937	4.2
55.01877	6.5
55.05510	21.4
56.07390	1.5
56.96563	1.9
57.03429	4.3
57.07082	7.7
59.04987	3.1
65.03944	3.0
67.05504	14.7
68.99820	1.6
69.03429	13.8
69.07068	39.3
70.20415	8.5
71.04992	11.0
71.08633	3.3
79.05488	27.8
81.03416	5.4
81.07056	85.2
83.04985	6.6
83.08627	17.1
85.02894	3.1
85.06550	6.4
89.03907	11.1
89.06026	5.8
91.05486	17.2
93.03415	3.2
93.07043	47.9
95.04964	11.6
95.08606	62.8
97.06531	8.1
97.10168	8.3
98.20763	1.6
99.08092	53.0
105.07025	16.1
106.07388	1.7
107.04953	20.9
107.07861	3.7
107.08594	68.4
109.02889	1.7
109.06521	100.0
109.10161	20.5
111.04432	8.2
111.08070	17.3
111.11702	2.9
113.09644	7.0
117.03380	13.3
117.06947	3.2
119.08594	6.3
121.06521	20.8
121.10140	87.4
123.04483	2.2
123.08068	5.3
123.11689	8.7
125.06030	6.2
125.09634	29.4
125.13277	1.6
127.11233	4.9
129.07039	2.4
131.08556	5.3
133.02863	2.9
133.06470	1.9
133.07553	1.6
133.10175	4.9
134.03685	2.9
135.04424	11.1
135.08057	15.9
135.11691	30.3
135.99945	1.6
136.05013	1.8
137.06020	3.2
137.09595	2.5
137.13255	40.0
137.14235	3.0
139.11177	6.1
145.02844	29.9
147.11632	2.1
148.97363	2.3
149.02316	2.5
149.05981	9.0
149.09622	12.6
149.13277	13.4
151.11185	5.9
153.05478	15.2
153.09116	2.7
159.11681	10.1
163.03914	22.8
163.07610	1.7
165.06943	3.3
167.07054	2.1
167.08444	1.8
171.98944	2.2
172.95250	2.1
177.05481	47.1
177.09100	18.8
177.12787	14.8
177.16389	98.4
180.09358	3.1
186.05513	1.8
195.02922	6.2
195.06493	7.2
195.08359	4.4
195.10176	22.6
195.11813	4.9
195.13805	13.8
195.15726	2.9
195.17441	33.2
196.17123	2.5
213.38533	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
53.03942	1.3
54.86482	1.1
55.01869	6.4
55.05259	1.9
55.05511	21.9
57.03442	1.5
57.07082	7.8
59.05011	1.9
65.03939	1.4
67.05506	10.1
69.03436	10.3
69.07070	39.9
69.78950	6.5
71.01346	1.0
71.04994	8.6
77.83603	1.4
79.05489	13.1
81.07057	40.4
83.04978	3.4
83.08624	13.5
85.06542	6.5
86.72702	1.2
89.03922	4.6
89.06041	3.9
91.05491	8.4
93.07042	30.7
94.23503	1.1
95.04966	2.7
95.08607	56.7
97.06543	3.8
97.10159	7.4
98.21542	1.3
99.08098	41.9
105.07047	4.4
107.04962	12.6
107.07862	2.6
107.08595	48.9
109.06537	1.7
109.10157	17.4
111.04456	2.3
111.07362	2.0
111.08086	19.1
111.11749	3.0
113.09662	6.1
117.03381	8.0
119.08587	2.1
121.06500	2.4
121.10145	72.3
123.08111	1.7
123.11698	6.9
125.02368	1.0
125.09646	23.9
125.13248	1.6
131.08540	1.4
133.10144	2.6
134.03671	1.6
135.04381	6.2
135.08080	3.8
135.11693	25.6
137.13263	28.2
138.06671	1.5
139.11179	4.3
145.02846	14.3
148.97363	2.7
149.05977	5.5
149.09644	2.1
149.13231	7.5
154.06245	1.3
154.94197	2.0
156.13210	1.1
159.11699	2.1
163.03896	13.4
163.07570	2.0
165.06915	1.3
167.07103	2.3
167.08601	1.4
171.98894	1.8
172.95215	8.1
175.62732	1.1
177.05464	20.5
177.06892	1.8
177.09096	2.9
177.12804	3.4
177.16391	100.0
178.16821	1.6
190.96283	6.2
195.02885	2.8
195.06555	2.7
195.08556	2.2
195.10173	3.2
195.11755	4.1
195.13826	4.3
195.15709	1.8
195.17438	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	195.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09898	1.2
50.16398	1.3
50.45773	1.3
53.03942	1.3
55.01871	5.5
55.05511	15.1
57.03431	2.0
57.07070	6.0
67.05507	10.7
68.06391	1.5
69.03430	7.1
69.07069	32.9
70.07281	6.9
71.05003	7.6
74.83974	1.2
76.34232	1.2
79.05492	13.3
81.03407	2.7
81.06577	2.1
81.07058	42.7
83.04979	5.1
83.08622	17.2
85.06531	4.7
89.03915	4.9
89.06015	4.2
91.05464	8.7
93.07040	29.5
95.04948	2.7
95.08607	59.7
97.06510	6.8
97.10149	8.1
99.07475	2.4
99.08093	34.6
105.07042	5.4
106.04134	1.3
107.04953	9.4
107.08595	51.0
109.06528	3.6
109.10160	12.8
111.08082	14.3
111.11695	2.2
113.09638	4.9
113.96399	1.4
117.03393	11.6
117.07006	1.5
119.01765	1.2
119.08607	3.8
121.06479	2.6
121.10141	71.9
123.08121	1.9
123.11691	8.3
125.05967	2.4
125.09630	18.0
131.08545	2.4
133.10132	3.2
134.03572	1.8
135.04385	6.8
135.08054	4.6
135.11693	29.2
136.12025	1.5
136.93158	2.0
137.13264	38.8
138.06648	2.0
139.07545	1.4
139.11189	3.8
145.02852	24.6
149.05969	7.7
149.09639	3.7
149.13309	11.0
149.97255	2.1
151.14799	1.5
153.05511	1.7
154.94144	3.2
159.11699	4.3
163.03922	14.9
165.06987	2.2
167.07104	2.4
171.98865	1.4
172.95197	10.9
177.05475	33.9
177.07780	1.4
177.09122	2.6
177.12848	7.6
177.16385	100.0
178.05878	1.3
186.05336	1.8
190.96324	9.5
195.02931	4.2
195.06512	3.5
195.08629	2.9
195.10170	4.1
195.11742	5.1
195.13811	9.6
195.15645	2.9
195.17444	27.9
211.71271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03948	1.3
54.79507	1.3
55.01864	1.9
55.05516	20.7
57.03427	3.9
57.07067	4.7
59.04988	4.9
60.98020	1.3
62.60599	1.4
65.03930	3.2
65.81025	1.4
67.05172	2.2
67.05508	28.3
69.03432	6.7
69.07078	11.5
69.85227	3.4
69.85663	5.3
71.04997	18.5
72.34951	1.3
73.06567	1.7
73.35025	1.3
76.44586	1.3
79.05492	10.3
81.07059	17.5
83.04967	4.3
83.08626	19.3
85.06550	4.2
91.05476	7.7
93.07053	29.4
95.04971	19.5
95.08614	57.5
96.05331	1.4
96.39147	1.3
97.06516	8.5
97.10190	1.5
98.20779	2.0
99.04363	1.3
99.08094	100.0
101.06029	11.8
105.07039	6.6
107.04978	6.2
107.08598	47.8
109.06553	3.3
109.10167	11.7
111.04432	4.2
111.08076	5.2
113.06008	21.8
113.09641	14.5
115.07558	15.1
117.03364	2.2
119.08591	8.4
121.06518	4.4
121.10136	16.3
123.04482	1.6
123.08084	3.6
123.11726	7.9
125.05983	2.9
125.09634	11.7
127.07549	1.4
131.08534	3.9
133.02789	1.6
133.10144	11.2
135.04436	2.8
135.08037	4.5
135.11694	79.2
136.12083	1.7
137.09630	3.3
137.13232	1.6
139.07550	4.3
144.09373	2.1
145.02812	4.2
149.05928	2.0
149.09631	3.9
149.13278	13.7
149.97165	1.5
153.05513	1.5
153.09163	1.9
153.12729	3.1
159.11693	8.8
163.03915	18.0
164.04219	1.4
167.07079	2.6
167.14328	3.8
177.05476	9.0
177.12752	19.0
195.06532	2.9
195.10147	2.1
195.11938	2.6
195.13817	28.2
199.10382	1.6
199.84296	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	2.2
55.05500	4.1
57.07067	3.0
67.05502	4.7
68.99782	3.5
69.03400	1.3
69.07056	4.7
71.61588	2.0
71.95280	1.9
72.93781	2.8
79.05488	11.2
81.07064	9.2
83.05008	2.2
83.08636	2.4
89.03965	1.2
89.06032	2.8
91.05480	6.9
93.07047	46.5
93.07633	2.8
95.04961	4.0
95.08610	16.4
97.06477	1.4
99.08089	2.1
105.07027	5.3
107.04944	4.0
107.08594	50.1
109.06477	1.9
109.10169	14.3
109.98977	1.3
111.04460	1.6
111.08056	2.9
111.94527	1.2
113.96417	2.9
115.66462	1.4
117.03378	2.2
119.08577	3.2
121.06526	2.6
121.10144	9.6
130.77289	1.2
131.97453	2.5
133.02890	2.1
135.04425	4.2
135.08061	2.5
135.11693	100.0
136.12038	2.0
137.09625	2.0
137.13255	3.1
139.07524	2.3
145.02831	4.2
148.97357	5.0
149.05997	5.3
149.09628	3.1
149.13246	4.6
149.97218	5.1
153.09146	6.0
153.12752	25.8
154.99001	2.2
163.03906	34.7
165.07019	5.1
167.08565	2.3
171.98940	3.6
172.98878	3.3
177.05463	9.8
177.09172	1.2
177.12749	3.8
177.16357	9.5
179.08598	1.1
180.09315	5.6
195.00832	1.3
195.02876	6.3
195.06514	4.2
195.08350	3.0
195.10170	2.8
195.11716	13.8
195.13815	15.9
195.15678	2.6
195.17409	3.4
196.00423	1.8
196.16914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03941	0.8
55.05522	2.1
56.96572	0.6
57.03432	0.4
57.07058	1.6
65.03938	0.5
65.48277	0.4
67.05504	2.0
69.03431	0.5
69.07053	2.6
70.65347	0.4
71.04991	1.2
71.60426	0.6
71.95254	1.2
72.93797	0.6
75.76050	0.4
79.05500	6.5
81.07054	5.2
83.04968	0.8
83.08614	1.1
89.06010	1.5
91.05485	7.4
93.07045	51.9
94.07372	1.3
95.04963	1.8
95.08607	10.0
97.06535	1.0
105.07016	3.0
107.04949	1.1
107.08597	48.7
108.08936	0.6
109.06519	1.9
109.10158	18.7
109.10921	0.9
111.08054	1.0
117.03388	1.2
117.07008	0.6
119.08566	2.3
120.09436	0.9
121.06548	0.6
121.10152	1.7
123.08070	0.6
125.13279	0.5
131.97446	0.5
133.02872	0.7
134.15952	0.5
135.04437	0.8
135.11693	100.0
136.12036	2.1
137.09578	0.8
139.07527	1.0
145.02847	1.3
148.97450	0.6
149.09601	0.5
149.13245	1.2
149.97194	1.8
153.07008	0.6
153.12747	32.5
159.11711	0.9
163.03903	10.3
165.06990	4.0
167.08604	1.4
172.98824	0.8
177.05482	3.2
177.09024	0.6
177.12781	0.9
177.16371	1.2
180.09338	4.6
185.74570	0.5
186.05565	0.4
194.15474	0.8
195.02956	0.8
195.06636	0.6
195.08266	1.0
195.10124	0.9
195.11720	9.0
195.13817	15.5
195.15573	1.0
195.17451	0.7
196.17009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03932	3.0
55.01862	4.1
55.05265	1.2
55.05512	16.7
56.96563	5.7
57.03440	5.5
57.07063	4.7
57.10736	1.1
65.03922	1.9
67.05507	61.4
69.03439	1.7
69.06728	1.3
69.07072	19.8
69.50684	10.1
71.01340	3.1
71.05012	6.5
71.08600	1.1
71.95256	4.4
72.93799	1.5
73.02905	1.6
79.05497	39.2
79.11123	1.1
81.03423	7.0
81.07060	100.0
83.04990	12.3
83.08629	13.7
84.08138	1.2
85.06522	4.3
86.51871	1.1
89.03909	4.0
89.06044	6.1
91.05476	24.3
93.07047	62.4
95.04968	12.5
95.08607	39.7
96.08859	1.2
97.06530	13.4
97.10155	2.9
97.23879	1.1
99.04463	1.7
99.08064	3.6
103.05464	2.7
104.61536	1.3
105.07043	9.8
106.04201	1.4
107.04968	11.0
107.08597	37.1
109.02840	1.7
109.06516	4.6
109.10130	5.3
109.76649	1.2
109.98965	1.2
111.04427	2.2
111.08083	7.2
113.05993	2.2
113.96391	1.5
117.03382	7.0
117.07040	8.6
119.08561	4.4
121.02876	1.5
121.06492	6.7
121.10155	20.0
123.08057	2.0
123.11678	1.8
125.05986	2.0
126.82182	1.0
130.96307	1.4
131.08568	12.1
131.96172	2.0
131.97424	3.0
133.02829	4.9
133.06444	2.2
133.08586	1.8
133.10129	12.5
134.03642	1.4
135.04424	11.7
135.08092	5.6
135.11700	32.0
137.09634	1.9
138.06584	3.8
138.31003	1.2
139.03903	2.6
139.07506	2.1
139.11134	1.2
145.01878	1.8
145.02846	15.6
147.11639	1.5
148.97337	3.3
149.01170	1.7
149.02342	1.2
149.05971	3.8
149.09613	4.2
149.13278	22.1
149.97160	4.3
151.11136	2.2
153.05400	1.2
153.09082	2.3
153.11261	1.3
153.12672	2.1
153.97942	1.3
159.11696	20.1
163.03914	63.7
163.07538	1.9
164.04286	2.3
165.05782	1.2
165.07022	4.9
167.07079	2.4
167.08540	1.3
167.98463	1.2
171.98946	3.9
172.02740	1.2
172.98811	2.1
177.05487	28.1
177.09117	3.2
177.12741	16.6
177.16347	9.3
180.09372	3.9
195.00705	1.3
195.02905	5.8
195.06473	5.4
195.08369	4.0
195.10150	3.5
195.11711	12.3
195.13802	19.8
195.15683	5.0
195.17371	2.3
196.09625	2.2
196.17033	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.09425	0.9
53.03938	3.4
55.01865	3.4
55.05509	17.9
57.03425	4.1
57.07071	2.6
59.17580	0.8
65.03938	2.9
66.04282	0.8
67.05501	66.5
69.07066	16.7
69.45533	8.5
71.01345	2.0
71.04992	5.6
73.02920	1.2
75.29608	0.9
78.24687	0.9
79.05003	1.4
79.05487	34.6
81.03406	10.6
81.07053	100.0
82.07393	1.5
83.04970	8.9
83.08611	11.0
85.06525	4.9
89.06061	1.4
91.04886	1.4
91.05474	33.4
93.07038	55.3
95.04958	7.6
95.08601	34.3
97.06516	12.2
99.08093	2.1
105.07027	10.6
107.04967	5.5
107.08590	25.0
109.06536	2.1
109.10139	3.8
111.08105	5.7
115.05505	1.1
117.03384	2.6
117.07010	13.1
117.07758	1.6
119.08585	2.6
121.06492	4.7
121.10139	10.1
122.33424	0.9
123.08033	1.2
123.10824	1.0
123.11677	2.6
125.09674	1.0
129.06973	1.7
130.07668	0.9
131.08572	12.8
133.02840	2.1
133.10115	27.7
133.11081	1.7
134.10493	1.1
135.04422	3.1
135.08047	2.9
135.11691	26.5
145.02849	2.9
147.11638	1.3
149.13248	22.3
151.11188	2.8
159.11684	15.8
163.03899	17.2
164.04161	1.5
177.05504	5.7
177.12752	11.5
195.11998	1.3
195.13802	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03944	3.7
55.01874	3.7
55.05258	1.4
55.05507	18.2
55.76084	0.7
57.03431	5.5
57.07070	1.7
58.54554	0.7
65.03934	3.1
67.05500	68.3
69.03420	1.7
69.07064	18.4
70.72685	2.0
71.01333	2.2
71.04999	5.9
73.02921	1.4
75.64609	0.7
79.05489	41.1
80.05846	0.9
81.03419	9.9
81.07052	100.0
83.04983	11.1
83.08614	13.3
85.02900	1.3
85.06548	3.9
86.41803	0.7
91.04894	1.1
91.05475	35.3
93.07037	57.5
94.02208	0.7
95.04966	8.6
95.08600	29.5
97.06523	11.3
97.10175	1.1
99.08100	3.0
101.06034	0.8
103.05485	1.0
105.04510	0.8
105.07029	11.3
107.04974	2.8
107.08587	28.8
109.06523	4.0
109.10163	2.6
110.14238	0.7
111.04450	1.2
111.08105	5.9
113.06026	0.9
113.09658	0.7
117.07022	12.2
119.08579	3.2
121.06517	6.4
121.10136	12.3
123.11729	2.5
125.05995	1.1
129.06937	1.0
131.08560	13.3
131.09500	0.9
133.06483	2.2
133.10120	28.1
135.04419	2.1
135.08043	4.2
135.11682	28.8
139.07544	1.5
145.02873	3.1
147.11769	1.0
149.06015	2.1
149.09625	1.4
149.12038	1.4
149.13239	22.1
151.11168	3.4
159.11684	16.4
163.03894	9.0
177.05469	4.9
177.12746	12.8
195.06548	1.0
195.13789	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.03946	1.1
55.01870	2.0
55.05508	17.9
56.96553	0.8
57.03436	0.9
57.07072	1.4
62.91999	0.4
65.03940	1.5
67.05503	17.8
68.99792	0.5
69.03426	9.0
69.07066	6.1
71.01361	0.6
71.04987	2.1
71.59498	0.6
71.95280	0.4
72.93794	0.6
73.12701	0.4
73.86837	0.4
79.05116	0.3
79.05486	13.0
81.03419	1.8
81.07053	19.6
83.04976	9.5
83.08629	3.7
85.02906	0.5
85.06541	3.9
87.04444	0.5
89.03916	2.6
89.06013	1.3
91.05479	4.5
93.07037	21.1
95.04358	0.8
95.04968	18.9
95.08598	11.9
97.02886	1.9
97.06528	29.0
97.10164	33.0
99.04452	3.8
99.08096	0.7
103.05492	0.5
105.07028	4.8
107.04945	10.1
107.08590	18.9
109.06511	3.7
109.09450	0.8
109.10145	9.6
111.04455	3.2
111.08050	2.4
113.05998	100.0
114.06322	1.3
117.03384	4.5
117.07030	1.9
119.08581	5.9
121.06501	16.9
121.10125	7.5
123.08059	19.2
123.11708	3.6
125.05988	40.7
125.09573	0.6
126.06301	1.0
129.07031	0.6
131.08563	2.8
131.97476	0.5
133.02783	0.5
133.06477	0.5
133.10124	5.1
134.03651	0.5
135.04439	3.0
135.08044	5.2
135.11687	17.0
136.12071	0.8
137.05988	0.7
137.09615	3.0
137.13208	1.0
139.07526	1.1
145.02835	7.7
148.97369	1.1
149.05954	2.9
149.09593	2.5
149.13251	25.6
150.13487	0.4
151.11165	4.3
153.09100	0.7
154.06279	0.5
159.11699	8.5
163.03902	9.4
165.06985	3.1
166.07596	0.5
166.39824	0.4
167.07014	1.3
167.08389	0.5
167.14313	1.0
171.98924	0.7
177.05467	12.8
177.09077	1.7
177.12740	47.7
177.16145	2.7
178.05791	0.7
178.13147	0.8
180.04208	0.5
180.09317	2.9
195.02902	1.1
195.06448	1.6
195.08284	1.4
195.10114	2.6
195.11725	8.2
195.13779	59.5
195.17467	1.5
196.14122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03934	0.8
55.01867	1.8
55.05499	0.9
56.96557	0.6
57.03428	0.7
65.03939	4.3
67.05505	1.8
68.99763	0.4
69.03426	0.8
69.07072	1.8
71.04993	0.7
71.26279	0.7
78.04706	0.3
78.13148	0.3
79.05494	7.1
79.53323	0.3
81.03421	0.8
81.07069	4.3
83.04959	0.9
83.08607	0.6
84.08102	0.3
85.06541	1.7
89.03920	2.5
89.06023	0.8
91.05484	4.1
93.03407	4.9
93.07047	4.3
95.04970	3.1
95.08614	3.2
97.06512	0.9
99.08104	0.5
103.05472	20.7
105.07031	9.4
105.07546	0.2
107.04957	33.2
107.08595	2.7
109.02874	1.5
109.06479	1.8
109.10172	0.5
110.03675	0.5
111.04440	5.2
111.08065	0.6
115.05458	2.9
117.03403	3.6
117.07005	1.9
119.04903	0.5
119.08591	0.5
120.05720	1.7
121.06492	2.7
121.10140	2.9
123.04468	0.5
123.08076	0.5
124.05208	2.4
125.05991	1.1
131.04947	4.2
131.08580	1.0
133.02826	0.8
133.06476	0.9
133.10139	1.4
134.03571	0.6
135.04427	4.0
135.08052	18.4
135.11671	2.8
136.05063	0.5
137.05974	1.0
137.13266	0.6
139.03905	24.6
145.02849	8.9
145.03969	0.8
145.06493	0.8
145.07581	0.8
148.05145	1.0
148.97360	0.4
149.05981	2.9
149.09662	1.6
149.13292	1.1
151.03931	0.4
152.04611	0.4
153.01860	0.8
153.05463	0.7
154.06250	100.0
155.06592	1.2
159.11691	1.1
161.05893	0.4
163.03914	8.9
163.07549	36.4
164.07968	0.5
165.05563	0.5
165.07065	0.9
167.07062	4.5
167.08408	0.6
171.99031	0.3
177.05461	12.5
177.09033	2.1
177.12772	1.7
177.16342	2.2
180.07784	1.2
180.09335	0.7
182.42685	0.3
186.05571	0.8
191.57596	0.3
195.02917	1.4
195.06583	3.2
195.08525	0.9
195.10175	13.9
195.11710	1.3
195.13647	1.8
195.15659	0.5
195.17413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00305	0.6
53.03945	1.3
55.01866	2.0
55.05506	1.7
56.96565	0.6
57.03430	0.5
57.07050	0.6
65.03939	1.0
67.05509	2.4
69.03417	1.1
69.07063	2.0
69.74332	2.9
70.51113	0.5
70.52340	0.4
71.04989	0.9
72.93806	0.4
77.03916	0.6
78.04719	0.4
79.05493	12.0
81.03439	0.5
81.07060	4.1
83.04982	0.7
83.08601	0.8
85.06516	0.7
86.62174	0.4
89.03916	3.0
89.06029	2.0
91.04961	0.9
91.05476	8.8
93.03385	0.6
93.07043	5.0
95.04989	4.8
95.08610	4.7
97.06543	1.0
97.10157	0.8
98.21515	0.6
99.08085	1.7
103.05471	8.4
105.03386	0.5
105.04469	0.6
105.07035	12.2
106.07323	1.1
107.04958	100.0
107.08590	5.2
108.05278	0.8
109.06506	0.7
109.10168	0.8
111.04421	0.8
111.08086	0.8
115.05454	7.1
117.03378	5.9
117.07025	3.0
118.85867	0.5
119.04934	0.8
119.08611	0.8
120.05730	2.0
121.06537	1.9
121.10156	4.7
123.04469	0.6
124.05231	0.6
125.06009	0.8
125.09647	1.5
131.08572	0.6
133.06514	1.0
133.10179	0.8
134.03679	0.7
135.04436	4.5
135.08058	26.1
135.11691	2.7
136.05127	0.5
137.05981	0.9
137.13252	1.0
145.02853	9.8
145.06570	0.7
145.07617	1.7
147.04416	1.2
148.05110	0.8
148.97351	0.7
149.06003	4.1
149.09700	0.5
149.13220	0.9
153.05484	1.1
153.09123	0.9
154.06282	1.4
159.11713	0.7
161.05922	0.7
163.03906	8.2
163.07550	55.6
164.08014	0.8
165.05518	0.9
165.07027	0.6
167.07062	8.4
171.98940	0.9
177.05469	15.6
177.09026	0.7
177.12756	1.9
177.16408	5.0
178.74564	0.5
180.07797	2.4
180.09322	0.7
189.29247	0.5
195.02924	1.7
195.06563	2.6
195.08272	1.0
195.10190	13.9
195.11823	1.7
195.13847	1.7
195.15651	1.0
195.17426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02383	0.5
53.03937	1.9
55.01868	3.1
55.05512	3.1
56.96568	1.2
57.03428	1.5
57.07069	1.5
62.55359	0.6
65.03948	4.3
67.05184	0.5
67.05510	7.7
68.99775	1.2
69.03426	2.1
69.07071	4.8
69.27274	1.2
69.27605	6.5
71.01356	0.6
71.04996	2.8
79.05061	1.0
79.05497	17.3
81.03401	1.8
81.07056	19.0
83.04990	2.7
83.08617	2.2
85.02878	0.6
85.06552	3.7
87.04451	2.6
89.03918	4.4
89.06022	2.8
91.05481	11.3
93.03407	5.0
93.07047	24.2
95.04973	5.7
95.08603	14.6
97.06526	5.9
97.10177	0.8
99.08083	1.8
101.22635	0.5
103.05470	22.9
105.03439	0.7
105.04517	0.6
105.07033	13.8
106.07352	0.6
107.04958	43.0
107.08594	14.8
109.02885	0.8
109.06508	2.0
109.10168	2.8
110.07123	0.6
111.04446	6.6
111.08086	2.5
115.05461	4.0
117.03381	9.8
117.07002	4.9
119.04921	0.6
119.08585	2.3
119.79408	0.5
120.05721	2.4
121.02864	1.2
121.06518	4.8
121.10154	8.5
123.04491	0.7
123.08047	1.9
123.11681	1.0
124.05172	2.5
125.05993	1.8
125.09606	2.0
131.04915	4.4
131.08545	5.5
133.02850	1.3
133.06487	2.1
133.10133	5.1
134.03635	1.6
135.04414	7.4
135.08061	25.4
135.11693	23.9
136.05135	0.8
137.05974	1.5
137.09618	1.1
137.13248	1.3
138.06615	1.1
139.03902	26.5
139.07478	0.7
145.02846	18.3
145.03992	1.1
145.06557	0.8
145.07629	1.4
147.11710	0.8
148.05223	0.8
148.97292	1.2
149.05981	7.9
149.09599	2.3
149.13271	5.6
149.97179	0.7
151.07529	0.9
151.11191	1.5
153.01828	0.6
153.05424	1.7
153.06876	0.5
153.09053	2.7
153.12706	0.6
154.06250	100.0
155.06607	1.5
159.11687	7.2
161.05942	0.6
162.03172	1.0
163.03922	13.6
163.07564	41.4
164.07913	0.9
165.05537	1.3
165.06998	2.0
167.07065	8.1
167.08453	1.1
171.98943	1.2
177.05478	30.3
177.09128	1.5
177.12758	15.2
177.16380	5.5
178.05833	0.8
180.07840	1.1
180.09329	2.2
186.05492	1.3
195.02901	3.7
195.06572	7.2
195.08310	1.8
195.10165	16.0
195.11774	5.0
195.13815	10.2
195.15694	1.3
195.17468	2.2
206.15279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03944	0.9
53.11186	0.6
55.01855	1.5
55.05502	1.4
56.96564	1.6
57.03438	0.7
57.07076	1.3
57.58744	0.5
65.03934	1.1
67.05499	1.7
68.96328	0.7
69.03420	1.0
69.07063	2.0
69.72191	3.8
71.04991	0.6
78.04724	0.6
79.05486	7.6
81.03413	1.3
81.07047	4.3
83.04982	1.2
83.06099	0.9
84.08153	0.7
85.02884	0.8
86.09682	0.5
89.03917	17.6
89.06008	2.5
91.05470	5.1
92.34416	0.5
93.07047	4.4
95.04964	4.6
95.06066	0.8
95.08632	2.4
97.02908	1.1
97.06528	1.9
97.07626	0.6
98.97588	1.6
103.05456	3.6
105.07036	4.5
106.04179	1.4
107.04955	23.4
107.08585	4.4
109.02888	0.8
109.06513	1.1
109.10133	0.6
109.98932	1.4
110.07150	0.6
111.04443	2.0
111.05559	0.6
111.08055	0.9
115.05459	1.9
116.98614	1.5
117.03380	35.6
117.07008	1.3
118.03603	0.5
119.04892	1.2
119.08574	0.8
121.02971	0.5
121.06507	2.0
121.10165	2.7
123.04396	0.9
123.08003	0.8
124.05216	1.4
124.08627	0.5
125.05981	1.9
127.99989	0.9
130.96304	1.9
131.04906	0.7
131.08527	1.0
133.06453	0.5
133.08667	0.7
133.10103	0.5
134.03613	5.3
134.99654	1.0
135.04414	8.5
135.08055	9.0
135.11697	2.1
137.05942	1.1
138.06638	1.8
139.07532	0.9
145.02843	70.7
146.03078	0.6
147.04404	0.8
148.97369	3.4
149.05978	20.3
149.09641	2.3
151.03926	0.8
151.07547	1.0
152.06059	0.5
153.05458	1.8
153.09103	0.5
153.97902	1.7
154.03879	0.5
154.06221	1.1
158.99591	0.8
159.11650	0.7
162.03082	1.3
163.03905	13.9
163.06238	1.0
163.07544	11.1
167.07048	7.8
167.10686	0.5
171.98904	2.8
177.00679	1.6
177.05469	100.0
177.16382	1.8
178.05942	0.8
180.07791	1.8
180.09247	0.8
186.05508	3.1
186.06918	0.5
195.02908	2.0
195.06519	3.0
195.08571	3.3
195.10176	9.8
195.12070	1.7
195.13829	1.1
195.15649	0.8
195.41609	0.5
211.78549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03941	0.5
55.01883	0.4
55.05513	1.0
56.96570	0.9
63.02380	0.4
65.03925	0.4
67.05521	0.5
69.02814	0.5
69.07087	0.9
70.06590	0.4
71.04984	0.5
71.28822	0.5
71.29151	0.7
73.02940	0.4
79.05505	1.6
81.07056	1.4
83.04963	0.7
84.08187	0.4
85.02930	1.0
89.03925	15.0
89.06020	1.4
91.05484	2.5
93.07050	1.6
95.04973	1.7
95.08638	0.8
97.02876	0.5
97.06542	0.7
98.97623	0.7
100.47657	0.4
103.05474	1.4
105.07033	1.2
106.04187	1.2
106.07336	0.4
107.04977	2.5
107.08605	1.7
109.06504	0.4
109.98951	0.9
111.04427	1.0
117.03387	30.4
121.02919	0.5
121.06522	1.5
121.10149	1.5
124.05257	0.6
125.05987	0.9
128.00023	0.8
130.96271	0.9
131.08636	0.5
133.08578	0.5
134.03638	5.3
135.04433	6.6
135.08089	1.1
135.11740	1.0
136.05064	0.5
137.02893	0.4
145.02853	71.4
146.03250	0.6
148.97351	2.0
149.05986	16.3
149.09636	1.1
149.13269	0.6
153.05466	2.3
153.97916	0.8
158.05925	0.5
159.11684	0.4
162.03162	1.1
163.03920	8.9
167.07036	0.6
171.98991	1.7
175.06250	0.9
177.05482	100.0
177.16357	0.8
178.05817	1.0
180.07677	0.4
183.05942	0.7
184.06761	1.0
186.05519	1.6
195.02824	0.7
195.06679	2.3
195.08513	1.1
195.10248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.84868	0.4
55.01876	0.5
55.05499	0.9
56.96561	0.7
57.03453	0.5
58.48758	0.4
65.03930	0.5
67.05502	1.5
68.05037	0.5
68.96346	0.9
69.03434	0.7
69.07061	1.6
70.06575	0.6
71.01340	0.5
71.04962	0.4
71.29419	1.1
78.04723	1.0
79.05513	2.3
80.05067	0.5
81.03410	1.1
81.07051	1.8
83.04979	0.7
83.06104	1.1
84.08162	0.8
86.09708	0.7
87.29472	0.4
89.03919	17.9
89.06018	2.3
91.05489	3.1
93.07042	2.2
95.04971	1.7
95.06082	0.5
95.08600	1.5
97.02881	0.6
97.06525	0.8
97.07639	1.0
98.97575	0.6
103.05464	1.4
105.07037	1.2
107.04961	2.5
107.08589	2.5
108.04470	0.7
109.02880	0.5
109.06532	0.7
109.07671	0.5
109.10171	0.5
109.98942	1.0
110.06047	0.8
110.07144	0.5
111.04453	1.6
111.05583	0.7
117.03381	33.6
117.06998	0.6
118.03668	0.6
119.08551	0.5
121.06499	2.0
121.10152	2.2
123.08134	0.8
125.05990	1.0
127.99925	1.0
130.96269	0.9
131.04822	0.6
131.08588	1.0
133.02805	0.8
134.03624	4.3
134.99648	0.6
135.04434	6.8
135.05452	0.8
135.08038	1.7
135.11676	1.1
136.03944	1.0
136.05006	0.8
136.08766	0.6
137.05939	0.7
137.09596	0.5
138.06651	1.2
139.03865	1.0
139.07471	0.6
145.02847	69.5
146.03174	1.3
147.04431	0.7
148.97359	3.9
149.05983	18.4
149.09627	1.7
149.13284	0.6
149.97217	1.2
150.06520	0.6
150.10222	0.4
153.00677	0.5
153.05481	1.6
153.09079	0.7
153.97887	1.9
154.06209	0.6
158.05994	0.6
159.07959	0.5
162.03120	1.7
163.03909	11.2
167.03528	0.4
167.07079	0.6
167.08391	0.6
171.98958	3.4
172.98779	1.0
177.05472	100.0
177.16364	1.4
178.05812	1.9
180.09410	0.5
186.05472	1.9
195.02882	2.8
195.06604	3.5
195.08556	1.7
195.10124	2.3
195.12042	1.2
195.13907	1.0
195.15884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
55.01871	0.6
55.05515	0.4
63.02362	0.4
67.05508	1.1
68.99800	0.4
69.07084	0.5
69.42535	1.3
69.42954	2.1
71.28133	0.4
78.04707	0.5
79.05476	1.8
81.03423	0.4
81.07051	2.4
83.04994	0.8
83.08636	0.4
85.06551	0.4
89.03915	17.0
89.06010	0.5
91.05497	2.6
93.03444	0.4
93.07033	4.0
94.34255	0.4
95.04962	2.0
95.08570	2.1
97.06534	0.6
98.20779	0.8
103.05464	1.4
105.07033	1.1
106.04173	1.6
107.04953	3.4
107.08608	2.6
109.10163	0.8
111.04461	0.7
117.03379	34.1
119.08614	0.5
121.06486	1.3
121.10159	1.6
123.08102	0.5
124.05193	0.4
125.06007	0.6
125.21362	0.4
125.93375	0.4
127.47289	0.3
131.08505	0.5
134.03636	5.6
135.04419	7.1
135.08040	1.1
135.11682	3.7
137.09679	0.3
137.46581	0.4
145.02844	70.7
146.03194	0.8
149.05986	15.9
149.09557	0.5
149.13249	0.6
151.07515	0.9
153.05460	0.7
153.09085	1.0
153.12761	0.4
154.06308	0.8
159.11708	0.6
162.03122	1.7
163.03897	10.4
163.07625	0.4
177.05467	100.0
177.16342	0.6
178.05798	1.1
186.05478	1.8
195.06508	1.1
195.08418	0.3
195.10161	1.0
195.11722	0.8
195.13792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03958	0.5
55.01863	1.5
55.05514	3.2
56.96577	0.6
57.03432	0.4
65.03963	0.8
67.05506	2.3
68.96329	0.8
69.03421	2.1
69.07072	5.7
70.84442	0.8
70.84815	1.0
71.04989	1.4
79.05498	3.3
79.35625	0.5
81.07059	7.4
83.04977	1.2
83.08165	0.6
83.08612	2.4
85.06545	1.5
87.67611	0.5
89.03922	14.9
89.06033	1.5
91.05486	3.4
93.03404	0.6
93.07047	5.0
95.04980	2.1
95.08607	8.7
97.06493	0.6
97.10161	1.1
99.04469	0.5
99.08092	5.6
103.05461	1.2
105.03394	1.9
105.07033	2.6
106.04180	1.1
107.04969	4.8
107.08593	7.9
109.06551	0.8
109.10155	1.8
109.98975	1.4
111.04433	1.3
111.08076	2.2
113.09642	1.2
117.03384	31.4
117.07056	0.9
119.04927	0.6
119.08574	1.1
121.06493	1.8
121.10139	9.4
123.08076	0.5
123.11722	0.8
124.05202	0.6
125.06020	1.3
125.09631	3.7
127.99968	1.0
130.96294	1.4
131.08572	0.6
133.02878	1.1
133.10136	0.9
134.03656	5.1
135.04428	7.7
135.07106	0.6
135.08060	2.0
135.11699	4.9
137.09676	1.0
137.13271	2.8
139.11153	0.8
145.02849	64.5
148.97398	2.6
149.05978	15.4
149.09612	0.9
149.13283	1.1
149.97217	0.7
153.05510	1.3
153.97908	1.6
158.06087	0.5
159.11694	0.9
161.05937	0.6
162.03134	2.2
163.02551	0.7
163.03912	10.8
163.06314	0.5
163.07585	1.0
165.05550	0.5
167.07043	0.9
167.08348	0.6
171.98933	2.6
172.98749	0.8
177.05475	100.0
177.12787	1.5
177.16393	14.8
178.05843	1.2
186.05507	2.2
195.02831	1.0
195.06610	3.9
195.08339	1.5
195.10182	2.5
195.11716	0.9
195.13841	0.6
195.15810	0.9
195.17445	2.7
204.26271	0.5
206.04886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.91309	0.5
55.01871	1.2
55.05509	1.1
56.96564	2.9
57.03429	1.0
65.03946	1.0
67.05502	1.0
68.82242	0.5
68.96329	1.1
68.99804	0.5
69.03422	1.1
69.07059	1.4
69.47601	2.2
69.48032	2.7
70.94256	0.5
71.04990	0.7
78.04699	0.6
79.05491	2.8
81.03413	1.2
81.07045	2.4
83.04987	1.1
83.06088	1.1
83.08647	0.6
85.02885	0.9
89.03412	1.1
89.03923	14.9
89.06020	1.8
91.05502	3.3
93.03416	0.8
93.07046	3.3
95.04961	2.5
95.06104	0.8
95.08591	1.6
97.02898	1.1
97.06515	1.0
98.97574	1.0
103.05469	1.4
105.07008	2.0
106.04169	1.3
107.04961	2.3
107.08610	2.9
109.02846	0.5
109.06540	0.7
109.10117	0.6
109.98936	1.3
110.07105	0.6
111.04433	1.7
111.08127	0.5
116.98630	1.7
117.03384	36.3
119.04947	0.5
119.08593	0.8
121.02934	0.7
121.06486	1.9
121.10143	2.0
124.05156	0.8
125.05973	1.7
125.09622	0.7
125.66496	0.5
128.00034	0.5
128.02319	0.8
130.96323	0.9
133.06570	0.8
133.07587	0.5
133.08592	0.8
134.03644	5.3
134.99669	0.7
135.04434	7.9
135.08092	1.6
135.11682	1.2
136.05017	0.8
136.08696	0.7
137.02829	0.9
137.09593	0.8
137.13336	0.5
138.06711	0.8
140.97044	0.5
145.02852	71.3
146.03207	0.7
148.97369	3.1
149.05981	17.8
149.09651	1.6
151.11124	0.6
153.05473	3.4
153.97894	2.2
159.11711	0.8
162.03102	1.8
163.03911	11.2
165.06796	0.7
167.07045	0.5
171.98962	1.7
172.95247	0.8
175.06276	1.5
177.05478	100.0
177.16321	0.6
178.05894	1.5
180.09261	0.7
183.06003	0.6
184.06714	2.2
186.05507	2.2
190.96272	1.0
195.02896	2.1
195.06508	3.0
195.08574	1.7
195.10162	1.1
195.12070	1.3
195.13911	0.8
195.15640	0.8
199.88058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
53.03935	0.5
55.01876	1.0
55.05501	0.8
56.96562	0.6
57.07055	0.3
65.03947	0.5
67.05497	1.5
69.03421	0.5
69.07081	0.8
70.77673	0.6
70.78046	0.7
71.04986	0.5
79.05495	4.7
81.03419	0.8
81.07066	3.0
82.50538	0.3
83.04977	0.6
83.08608	0.5
85.06594	0.4
89.03915	12.3
89.06018	1.1
91.05486	1.6
93.07059	2.1
95.04939	0.9
95.08623	2.1
97.06508	0.6
99.08138	0.4
103.05490	0.8
105.07021	1.2
106.04172	0.8
106.08115	0.3
107.04961	8.0
107.08607	2.5
109.06539	1.3
109.10161	1.0
111.04440	0.9
113.98342	0.3
115.11108	0.4
117.03384	18.7
117.06995	0.4
119.08582	0.7
121.06487	0.7
121.10130	2.3
125.06004	0.5
131.08528	0.6
133.02887	0.8
133.06526	0.4
133.10147	0.4
134.03632	1.8
135.04420	28.0
135.08041	2.3
135.11668	1.8
137.09566	0.4
137.13242	0.8
138.06593	0.6
139.03998	0.4
139.07576	0.4
145.02847	29.2
146.03198	0.4
149.05978	3.9
149.09619	1.5
149.13277	0.7
151.11136	0.6
153.05478	1.8
154.06245	0.5
159.11679	0.5
163.03905	100.0
164.04277	0.8
165.07037	0.7
167.07097	0.7
167.08434	0.4
177.05476	20.0
177.08977	2.1
177.12698	1.0
177.16403	2.4
180.09268	0.4
186.05438	0.9
195.02876	1.4
195.06520	1.5
195.08694	0.6
195.10150	2.4
195.11746	1.0
195.13829	1.1
195.15616	0.6
195.17456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01868	1.6
55.05513	9.1
55.83831	1.2
56.05023	1.9
56.96560	8.1
57.03426	2.0
57.07066	3.1
59.05003	1.7
65.03932	1.4
67.05508	7.4
68.04990	1.3
68.96323	3.1
69.03416	2.6
69.07069	9.8
69.88625	6.9
70.06578	3.7
70.94247	1.9
71.01331	1.1
71.04990	14.5
71.56602	1.0
72.08149	2.2
79.05499	10.7
81.03416	5.4
81.04543	1.5
81.07056	20.1
82.06596	1.2
83.04985	2.5
83.06093	4.2
83.08630	12.1
84.04494	5.0
84.08147	11.9
85.02898	4.1
85.06521	1.3
86.09704	7.9
86.97371	1.8
86.98036	1.1
89.03912	5.0
89.06039	19.9
91.05470	7.5
93.03404	1.4
93.04493	1.0
93.07049	19.8
94.07381	1.1
95.04976	5.7
95.06065	2.3
95.08104	1.5
95.08614	11.0
97.02886	2.5
97.06525	5.5
97.10138	1.7
98.06091	1.2
98.20722	1.2
98.97568	1.9
98.98454	7.2
99.05580	2.4
99.08068	1.6
103.05486	2.4
105.03376	1.2
105.07043	5.8
107.04932	5.0
107.07037	2.8
107.08604	17.6
108.05628	1.2
109.02860	4.4
109.06491	2.4
109.07650	1.6
109.10139	4.5
109.98937	3.1
110.06052	1.5
110.07153	2.5
111.04434	4.2
111.05598	2.3
111.08057	1.6
111.09143	1.2
113.07123	1.4
116.98589	3.1
117.03384	12.1
117.07016	1.9
118.92070	1.7
119.08593	1.6
121.02877	1.9
121.06481	4.6
121.10145	8.1
122.00056	2.3
122.07141	1.5
123.08036	1.6
125.05980	4.8
125.07101	1.3
125.09602	1.8
127.03812	1.9
128.00000	2.7
128.02263	1.3
129.10201	3.2
130.96333	5.3
131.00624	31.1
131.04909	2.1
131.08566	3.0
133.02867	3.0
133.06476	1.5
133.08592	5.1
134.03667	1.4
134.99632	3.1
135.04402	6.4
135.08096	6.5
135.08995	1.1
135.11690	12.6
136.93086	10.8
137.06081	2.0
137.09557	2.5
137.13200	1.0
138.06599	4.8
139.03934	2.5
139.04951	1.4
139.11150	1.2
140.01161	5.7
142.51428	5.2
145.01743	2.5
145.02840	20.4
148.97382	14.6
149.02322	2.0
149.05956	8.1
149.07034	1.8
149.09605	5.0
149.13252	2.9
149.97198	1.6
151.11182	1.6
152.11771	1.5
153.05457	7.7
153.12755	5.7
153.97888	5.4
154.02216	1.2
154.03444	3.0
154.06267	1.7
154.94162	25.7
159.11684	3.0
163.02782	3.4
163.03960	41.2
163.07594	1.9
163.54190	1.7
165.07034	4.1
166.98486	1.3
167.07036	2.7
167.08475	2.1
171.98958	12.5
172.02965	1.4
172.04509	33.4
172.54648	3.9
172.95241	100.0
174.54811	5.9
177.00606	1.3
177.02008	1.6
177.05479	31.9
177.07767	1.8
177.09074	6.1
177.12668	1.8
177.16438	10.2
178.09807	1.8
180.09354	2.7
181.05022	4.2
183.55334	4.5
190.96291	88.1
195.02916	8.2
195.06720	7.3
195.08591	6.2
195.10167	6.3
195.11832	8.4
195.13820	4.3
195.15709	2.9
195.17381	2.3
195.96768	5.9
208.97340	1.7
213.97856	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03946	2.5
55.01872	4.5
55.05512	14.9
57.03439	2.7
57.07065	3.5
59.04990	1.8
67.05170	1.2
67.05507	16.5
69.03429	3.0
69.07080	6.9
70.68723	1.2
70.69052	2.3
71.04984	3.6
79.05495	19.4
81.03459	4.4
81.07058	16.6
83.04988	10.6
83.08613	2.9
85.06555	7.6
91.05484	33.7
92.05800	0.9
93.07047	18.9
95.04976	9.4
95.08611	16.7
96.04504	0.9
97.06526	2.3
99.08093	29.3
103.05475	9.6
104.01148	0.9
104.06288	1.0
105.07035	98.9
106.07357	5.0
107.04961	1.9
107.07864	1.7
107.08602	32.3
109.06512	5.3
109.10159	26.9
109.10918	1.3
110.06850	1.5
110.10507	1.5
111.04451	2.0
111.08077	2.2
115.05452	13.9
117.07043	2.0
117.61104	1.1
118.04171	7.5
119.08582	28.1
121.06512	1.3
121.10149	8.8
123.08096	4.6
123.11703	4.2
129.05473	1.3
129.07002	1.7
131.04929	2.0
131.08575	8.7
133.02859	2.9
133.05475	2.1
133.06500	61.2
133.10133	100.0
134.06847	1.6
134.10474	3.1
135.08008	1.1
135.10811	2.7
135.11699	56.5
136.12039	1.1
137.05998	2.6
137.08659	1.1
137.09622	15.5
139.03868	1.0
142.07739	1.0
143.04982	1.9
143.06056	3.4
145.10147	1.7
147.04472	1.3
147.08086	1.3
147.10681	1.8
147.11719	17.9
149.09590	2.5
149.13283	2.9
151.07643	1.2
151.11200	6.6
151.14827	2.8
153.35944	0.9
157.10136	2.8
161.05984	68.2
162.06419	1.9
165.05516	0.9
165.09108	1.1
165.12790	1.2
165.16521	1.1
175.03842	0.9
175.11189	10.9
175.14908	15.6
178.02629	3.0
193.04982	13.8
193.06839	1.9
193.08626	20.2
193.10590	0.8
193.12244	19.1
193.15945	29.3
194.08514	0.9
196.14960	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	194.9457
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06805	3.7
63.31628	4.6
69.28262	3.8
69.62089	32.5
87.85468	4.1
94.93018	100.0
105.57458	4.7
119.01779	4.6
153.05424	5.5
161.02985	4.2
194.94620	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03953	1.7
55.01878	2.7
55.05515	17.9
56.96564	1.7
57.03441	1.4
57.07084	2.8
59.05000	2.6
65.03941	1.7
67.05509	19.8
69.03439	5.1
69.07072	9.0
70.85498	1.8
71.04985	1.8
72.93724	0.7
78.44273	0.8
79.05499	17.7
81.03416	6.3
81.07063	21.0
83.04988	32.4
83.08636	3.9
85.02850	0.8
85.06556	4.8
89.03936	0.9
91.05481	14.8
93.07044	12.4
94.44527	0.7
95.04982	10.6
95.08611	14.0
95.09171	1.4
97.02913	1.4
97.06538	1.9
97.10204	1.2
98.97596	2.8
99.08100	13.0
103.05484	13.4
105.03402	1.4
105.07037	93.7
106.07378	3.1
107.04961	1.8
107.08609	15.1
109.06522	5.3
109.10157	25.7
111.04462	3.8
111.08084	2.3
111.11806	0.8
115.05472	16.3
116.98622	1.4
117.07019	1.3
118.04164	7.4
118.91367	0.8
119.04935	1.4
119.08579	17.8
121.06536	1.0
121.10161	7.6
123.08041	5.0
123.11742	4.6
125.09614	1.0
129.05499	4.1
130.06549	0.9
131.04961	2.5
131.08574	2.6
132.05733	1.8
133.02867	6.4
133.06502	76.2
133.10138	31.2
134.03644	0.9
134.06859	2.7
135.08041	1.2
135.11693	14.7
137.05977	3.8
137.09634	14.6
143.05003	1.8
143.06062	5.3
146.97487	1.0
147.04436	1.6
147.06581	1.1
147.08025	1.8
147.11703	7.2
149.02260	0.9
149.05969	2.3
149.09726	0.8
149.13292	2.1
150.03145	1.1
151.07617	1.1
151.11179	2.0
151.14836	1.4
157.10201	1.4
161.05992	100.0
162.06363	3.3
165.05533	1.8
175.07623	1.1
175.11232	4.0
175.14851	18.6
178.02594	5.4
179.91652	1.0
193.04982	23.7
193.08621	20.4
193.10565	1.5
193.12267	8.0
193.15906	22.9
193.17636	1.7
194.15514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.52063	0.5
53.03950	1.6
53.90284	0.6
55.01874	5.4
55.05510	7.4
57.03428	1.1
57.07081	1.4
65.03942	1.2
66.04716	0.6
67.05503	10.2
67.05833	1.0
67.41282	0.5
69.03420	4.9
69.07069	5.3
69.29962	6.7
71.05005	2.9
73.67364	0.6
74.65280	0.6
79.05491	16.5
81.03419	13.5
81.07059	14.5
83.04984	3.2
83.08615	4.8
85.06557	3.2
91.05486	8.9
93.07043	10.6
95.04969	9.7
95.08603	15.7
97.06527	4.2
97.10204	1.1
98.21469	1.2
98.97571	0.8
99.08109	3.5
103.05472	12.1
104.06239	0.8
105.07033	100.0
105.98663	0.6
106.07365	2.3
107.04946	2.2
107.08599	13.9
109.06528	4.2
109.10154	14.1
111.08083	2.0
115.05459	20.5
117.07082	0.7
118.04162	10.9
119.08585	19.8
121.06445	0.8
121.10136	6.7
121.28161	0.5
121.29046	0.7
123.08074	6.1
123.11711	6.3
125.09603	1.6
129.07028	1.0
131.04890	3.1
131.08583	2.1
132.05707	1.9
133.02858	3.6
133.06494	81.3
133.10123	16.6
133.11086	1.3
134.06839	2.4
135.11690	14.8
137.05992	1.6
137.09608	4.7
143.04909	1.8
143.06053	5.3
147.08057	1.7
147.11655	5.5
149.02359	1.1
149.06052	1.2
149.09702	0.7
149.13281	6.7
151.03842	0.7
151.11295	1.4
151.14828	2.4
161.05981	95.3
162.06258	2.9
165.09090	0.8
175.11201	2.5
175.14833	25.2
177.00621	0.7
178.02635	2.8
193.04982	13.7
193.08627	23.5
193.12247	3.6
193.15887	33.9
194.05511	0.8
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
50.91505	1.7
55.01862	2.2
55.05503	9.8
57.07053	2.0
67.05497	11.8
69.03417	2.5
69.06716	2.6
69.07064	34.7
69.38053	15.2
71.04992	17.6
79.05487	8.2
81.07058	22.6
83.04977	3.5
83.08611	4.9
85.06538	10.8
91.05467	11.7
91.79556	1.5
93.07043	29.3
95.04964	38.6
95.08606	24.6
97.06532	3.9
97.10168	11.7
99.08072	6.7
105.07030	29.2
107.08599	34.2
109.06516	100.0
109.10139	22.5
111.04427	4.2
111.08092	7.6
111.11715	3.0
119.08582	30.4
121.10143	10.8
123.08090	8.1
123.11703	24.5
131.08595	1.7
133.02869	6.4
133.06491	10.1
133.10129	32.5
134.10446	2.2
135.11681	40.0
137.05977	3.0
137.09621	15.8
145.10168	2.2
147.04381	1.9
147.08002	1.9
147.11708	12.0
149.13255	8.8
151.07651	1.5
151.11206	7.6
161.05962	10.0
165.05446	1.9
165.12723	2.3
175.11197	5.8
175.14824	48.2
178.02591	4.8
178.07759	1.7
193.04982	28.4
193.06776	3.4
193.08572	4.1
193.10220	9.2
193.12242	9.4
193.15878	93.4
194.08124	3.9
194.15324	4.2
200.50853	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03953	0.6
55.01858	0.6
55.05509	2.7
57.07070	0.3
58.12133	0.4
59.05005	0.6
61.38312	0.3
67.05508	4.3
69.03431	5.5
69.07073	6.1
69.85039	0.6
69.85456	1.4
71.04971	0.4
74.44779	0.3
79.05507	2.0
81.03413	0.4
81.07062	5.2
83.04994	1.8
83.08626	2.2
91.05493	3.3
93.07042	4.3
95.04977	1.8
95.08606	6.2
97.06535	1.4
103.05482	1.0
105.07032	11.1
107.04964	0.6
107.08604	6.7
109.06520	4.6
109.10161	6.6
110.07331	0.3
111.08083	4.6
115.05460	1.3
117.07012	0.5
118.04176	0.4
118.64671	0.3
119.08579	6.6
121.06523	0.3
121.10165	3.0
121.39935	0.4
123.08067	7.2
123.11727	1.0
125.09608	0.8
131.08638	0.4
133.02884	0.9
133.06488	6.5
133.10124	5.7
134.10294	0.4
135.11681	7.5
137.09618	45.3
138.09985	1.0
147.07942	0.4
147.11687	5.3
149.02328	0.4
149.13289	0.9
151.11191	1.3
151.14798	0.7
161.05975	8.2
163.11177	0.4
175.11188	2.1
175.14827	7.3
177.12756	0.6
178.02635	0.9
188.77684	0.4
193.04965	5.4
193.08789	2.0
193.10184	1.4
193.12292	3.1
193.15883	100.0
194.08092	0.7
194.16315	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03937	2.3
55.01865	6.1
55.05507	17.8
56.96558	4.0
57.07055	5.1
59.05003	1.4
65.03939	2.5
67.05505	23.0
69.03434	10.8
69.07069	17.1
71.04987	3.3
71.59309	2.2
79.05495	18.9
81.03399	3.6
81.07053	27.5
83.01295	1.5
83.04977	18.3
83.08624	8.3
85.06522	5.0
85.41181	1.4
91.05475	17.8
93.07053	20.7
95.04963	9.9
95.08607	45.2
97.02907	2.4
97.06527	2.6
97.10143	2.2
99.08067	3.0
103.05471	13.5
104.06286	1.8
105.07031	100.0
106.07363	3.2
107.04953	2.2
107.08596	38.7
109.05878	1.7
109.06519	15.4
109.10155	58.1
111.04440	5.9
111.08084	6.9
115.05453	17.8
117.07043	1.7
118.04150	10.8
119.08582	58.8
121.06572	1.9
121.10146	24.5
122.03646	2.2
123.08062	34.2
123.11684	7.9
125.09615	2.3
129.05452	2.2
131.04890	3.1
131.08568	3.4
132.05663	1.9
133.02843	10.0
133.06490	77.7
133.10127	57.5
134.06831	2.4
135.08099	3.2
135.11691	69.7
136.12090	1.9
137.05949	4.3
137.09618	23.1
137.13168	1.4
138.10408	3.7
143.04980	1.7
143.06020	4.7
145.10092	2.5
147.04391	1.7
147.08022	2.4
147.11700	12.8
149.02354	2.2
149.13280	11.9
150.03119	2.5
151.11179	5.8
151.14793	5.9
155.00055	1.4
160.12538	1.4
161.05980	90.1
162.06313	4.4
165.05446	2.9
165.16362	2.9
166.08588	1.5
175.07602	1.7
175.11192	4.7
175.14822	61.1
178.02582	9.9
188.92456	2.4
193.04956	45.9
193.08601	43.1
193.10178	1.2
193.10489	1.8
193.12241	9.5
193.15883	67.8
194.05371	3.1
194.15347	3.7
211.94131	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03943	2.5
53.19635	1.0
54.56662	1.0
55.01861	3.1
55.05517	10.9
56.96539	1.2
57.03421	1.7
57.07071	6.4
59.04962	1.2
60.79502	1.0
64.62980	1.2
65.03932	3.5
67.05505	22.2
69.03432	8.3
69.07066	21.8
69.30701	3.7
69.31122	8.5
71.04975	3.2
71.08574	1.4
79.05493	22.9
81.03405	3.2
81.07059	27.9
83.04980	6.7
83.08616	2.6
85.06527	2.3
90.09084	1.1
91.05480	51.6
93.07047	34.7
93.07624	2.4
95.04976	11.1
95.08614	16.7
96.32410	1.1
97.06525	5.5
101.06021	1.1
103.05468	3.9
105.03409	1.2
105.07032	95.5
107.04957	4.8
107.08599	34.5
109.02869	1.3
109.06500	11.2
109.10159	5.5
111.04462	12.3
115.05447	3.5
117.07008	3.4
118.04111	1.9
119.04926	5.6
119.08580	53.7
120.16959	1.1
121.02866	1.3
121.06500	3.4
121.10149	21.8
122.03638	1.5
123.04390	1.3
123.08051	7.6
123.11690	3.6
125.05985	4.6
128.13483	1.1
129.05499	1.7
129.06993	4.8
131.08565	9.3
133.02849	13.7
133.06494	15.7
133.10133	75.7
135.08038	2.8
135.11687	3.6
137.05972	13.7
137.09592	4.0
137.13225	1.9
142.07762	4.5
145.10135	6.4
147.08035	4.3
147.11690	100.0
149.05957	2.0
149.09641	6.8
149.13254	4.5
151.07576	9.2
151.11243	5.4
157.05020	1.2
157.10141	11.1
160.08797	2.8
161.06004	8.8
163.11174	2.6
165.05473	3.3
165.09029	2.8
165.12778	7.7
175.03989	1.3
175.11188	76.3
175.14758	4.4
176.11441	1.7
178.02596	8.5
178.08008	2.1
193.04971	46.8
193.08542	4.3
193.10458	6.0
193.12234	98.1
193.15820	9.5
194.08104	2.0
194.12500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.90991	0.5
52.16582	0.5
53.03953	1.0
55.01896	0.7
55.05508	6.6
57.03448	0.7
57.07098	1.1
59.05015	0.9
65.03960	1.2
67.05506	7.9
67.05820	0.5
69.03429	5.2
69.03750	0.4
69.07068	6.2
69.37532	0.5
69.37857	5.3
71.05015	1.4
72.10390	0.5
77.03911	0.8
79.05490	4.3
81.03431	1.2
81.07053	8.8
83.04977	3.0
83.08649	2.1
87.04497	0.9
87.74710	0.5
91.05479	9.5
91.06013	0.7
93.07048	9.8
94.71916	0.5
95.04974	4.8
95.08606	19.9
97.06518	2.6
97.10178	0.7
98.43255	0.5
98.44456	0.5
103.05467	1.3
105.07030	36.3
107.04997	0.6
107.08595	17.9
109.02854	0.7
109.06518	7.3
109.10155	11.0
111.08088	2.6
115.05493	2.1
117.07043	2.3
118.04198	0.5
119.04984	1.2
119.08580	30.2
121.06499	11.8
121.10130	5.6
123.08060	12.6
123.11700	3.1
128.06267	0.9
129.07024	1.4
131.04938	1.0
131.08539	1.3
132.05775	0.6
132.09352	0.8
133.02853	2.2
133.06499	13.1
133.07312	0.5
133.10132	16.1
135.08063	2.1
135.11693	6.9
137.05977	2.4
137.09618	6.7
137.13228	0.8
138.10425	1.3
142.07784	4.0
145.06512	5.4
145.10129	1.5
146.07274	5.6
147.04419	0.7
147.08055	13.8
147.11684	53.0
148.12094	0.7
149.02267	0.7
149.13254	1.9
151.07576	1.9
151.11200	4.2
151.14835	0.8
157.10150	3.2
159.08063	0.8
160.08835	24.0
161.05983	6.2
165.05478	1.0
165.12764	13.1
173.09613	1.5
175.11183	100.0
175.14665	6.6
176.11525	1.8
178.02589	2.6
178.07947	1.1
193.04970	11.6
193.06776	0.8
193.08693	3.1
193.10255	2.6
193.12204	12.6
193.15874	21.8
193.17650	1.2
194.12518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03933	3.5
55.01860	5.9
55.05514	12.8
56.96553	1.6
57.03416	2.6
57.07089	1.7
61.87117	1.6
65.03957	2.8
67.05501	16.4
67.78651	1.3
69.03417	5.4
69.07072	26.2
71.04984	2.5
71.59757	1.8
71.60127	2.3
79.05490	25.7
81.03419	29.3
81.07059	22.8
83.04964	4.8
83.08622	5.6
91.05481	42.2
93.07045	30.3
95.04966	28.6
95.08609	13.1
97.06535	5.2
103.05482	7.5
105.07030	100.0
106.07352	2.8
107.04919	6.7
107.08597	37.9
109.06539	10.0
109.10155	6.8
111.04445	3.6
111.08092	4.1
115.05462	11.4
117.07053	3.0
118.04159	5.1
119.04925	7.6
119.08584	44.0
121.06539	3.1
121.10147	33.4
123.04421	2.5
123.08036	5.1
123.11686	2.9
125.09646	2.7
129.06987	4.0
131.08531	6.4
132.05678	2.1
133.02861	7.0
133.06496	54.1
133.10123	38.8
135.08052	3.6
135.11714	6.9
137.05960	11.0
137.09592	4.8
137.13216	1.5
142.07787	4.7
143.06049	2.9
145.10133	3.5
146.99614	2.4
147.08038	6.2
147.11685	48.0
148.08818	3.6
149.09624	24.5
149.13205	3.5
151.07558	10.2
151.11169	8.4
157.10100	3.9
160.08846	1.5
161.05986	46.6
162.23036	1.5
165.05450	2.0
165.09109	4.9
165.12772	5.5
175.11208	29.0
175.14832	5.8
178.02554	6.6
183.66357	1.6
193.04970	34.0
193.08624	25.5
193.10472	4.0
193.12239	89.1
193.15872	9.2
193.22330	1.6
193.90289	1.5
194.15396	2.2
205.63432	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02394	0.9
52.24554	0.6
53.03947	1.6
55.01871	4.6
55.05509	10.8
56.72275	0.7
57.07066	1.0
57.36474	0.7
60.13966	0.7
65.03934	0.7
67.05502	8.2
69.03428	11.6
69.07074	4.3
69.54718	5.2
71.01348	2.6
71.04999	2.5
77.13975	0.6
79.01846	1.9
79.05491	16.1
79.05948	0.8
81.03420	1.4
81.07056	13.0
83.04980	3.5
83.08613	1.1
85.06548	1.1
89.03928	0.9
90.04729	1.3
91.05482	20.0
92.05727	0.7
93.07043	20.5
95.04966	8.4
95.08609	38.1
97.02890	40.0
97.06497	1.3
97.10172	26.8
99.08128	0.7
103.05460	10.3
104.06254	2.0
104.90025	0.7
105.03424	0.9
105.07027	100.0
106.07347	1.3
107.04953	9.1
107.08593	17.6
109.06531	4.9
109.10150	5.3
111.04447	8.0
115.05448	15.7
117.07020	2.1
118.04151	6.8
119.04906	1.0
119.07906	0.6
119.08576	16.2
121.06507	29.1
121.10139	10.0
122.03682	0.8
123.04430	8.4
123.08094	3.1
123.11709	4.1
125.05979	0.9
129.05455	1.0
129.07002	2.9
131.04926	2.9
131.08571	11.2
132.05670	2.2
133.02831	3.7
133.06490	71.5
133.10127	40.9
134.06851	1.4
135.08020	4.5
135.10757	0.8
135.11650	3.8
137.05998	6.2
137.09579	1.6
137.13297	1.0
142.07773	4.8
143.04910	1.9
143.06041	4.7
145.10118	2.0
147.04404	1.6
147.08038	3.8
147.10501	1.1
147.11685	29.4
149.05963	2.1
149.09616	32.9
149.13228	0.8
150.03090	0.8
151.07497	1.4
151.11159	4.9
157.10164	6.2
160.08853	0.8
160.20317	0.8
161.05978	79.4
162.06381	2.2
163.11183	2.8
165.09084	0.8
165.12733	2.2
175.03859	1.0
175.11191	27.1
175.14771	4.6
178.02632	3.3
178.06238	1.3
178.07834	1.0
193.04979	16.5
193.08600	39.9
193.12236	55.1
193.15857	7.0
194.08868	0.8
194.12601	1.3
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
52.95831	0.3
53.03947	1.0
55.05516	3.9
57.07079	0.5
60.09815	0.3
65.03955	0.6
67.05505	1.7
69.03436	3.0
69.07077	4.5
71.05016	0.8
71.60651	0.7
73.02899	0.4
77.03934	0.6
79.05498	4.3
81.07063	4.7
82.07410	0.4
83.04974	0.6
83.08599	0.4
87.04478	0.9
88.02608	0.3
91.04906	0.4
91.05482	9.3
93.07047	10.7
95.04972	1.4
95.08609	3.8
97.06554	0.7
102.59134	0.4
103.05481	0.6
105.07035	48.0
107.04958	0.4
107.08598	18.0
109.06507	2.4
109.10096	0.8
111.08089	0.5
111.10841	0.5
115.05457	0.3
117.07036	1.0
119.04957	0.9
119.08587	24.6
121.06497	1.1
121.10153	5.6
123.08076	1.5
123.11693	1.1
125.05990	1.2
131.08580	1.2
132.09331	0.5
133.06503	2.9
133.10139	14.5
135.08022	0.4
135.11700	1.0
137.06010	2.6
137.09648	0.6
142.07809	0.9
145.06476	0.8
145.10139	2.6
146.07286	0.4
147.08060	1.4
147.11694	100.0
148.12019	1.8
148.80933	0.4
149.13261	2.6
151.07513	1.8
151.11185	0.8
157.10144	2.7
160.08861	3.2
161.06001	0.7
165.12769	4.9
173.09509	0.4
175.11205	21.8
175.14615	0.7
176.11497	0.5
193.05016	1.7
193.10451	0.7
193.12250	19.1
193.15880	1.0
193.18607	0.7
194.12500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03937	2.6
55.01857	2.1
55.05515	9.0
57.07074	1.3
65.03927	2.7
65.04228	0.9
67.05504	11.6
69.03426	6.4
69.06722	1.3
69.07064	14.7
69.45547	5.7
69.45952	2.6
71.04971	2.2
76.90125	0.8
79.05484	15.8
81.03432	1.5
81.07059	20.9
83.04992	5.1
83.08615	1.7
86.30656	1.0
91.05479	27.4
93.07043	28.4
95.04977	6.9
95.08605	13.7
97.02904	1.5
97.06539	2.4
98.21478	1.6
103.05448	1.4
105.07030	69.2
106.07343	1.3
107.04954	2.5
107.08598	32.0
109.06513	8.7
109.10152	5.7
111.04438	17.5
111.08032	1.3
115.05428	2.5
117.07028	2.6
119.04951	7.2
119.08583	33.8
121.06509	2.6
121.10143	14.0
123.04405	2.5
123.08067	4.1
123.11707	2.4
125.05974	3.5
126.41405	1.0
129.05475	1.2
129.07039	1.2
131.08568	4.0
133.02846	3.1
133.06480	9.8
133.10135	47.1
135.08066	2.8
135.11681	2.8
137.05988	13.0
137.09578	2.5
137.13252	1.8
139.07523	2.4
142.07780	5.5
143.73463	1.0
145.10135	4.9
147.08014	2.8
147.11688	69.8
149.09639	2.7
149.13263	6.5
150.03004	1.5
151.07565	10.4
151.11160	3.2
157.10150	7.3
160.08842	1.9
161.05951	7.1
163.11145	2.7
165.05486	1.4
165.12737	6.8
175.11194	75.5
175.14812	3.8
176.11552	1.2
178.02623	3.1
193.04958	14.5
193.08577	2.5
193.10689	3.8
193.12245	100.0
194.08083	1.0
194.12610	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02362	0.8
53.03930	1.0
55.01857	1.8
55.05508	6.2
56.96549	1.5
57.07067	0.9
59.05016	0.5
61.84362	0.5
63.26849	0.5
65.03924	1.1
66.04703	0.5
67.05497	8.3
69.03076	0.6
69.03426	9.5
69.07071	2.9
69.96460	2.6
71.01357	2.2
71.04977	1.4
77.03905	0.6
79.05486	10.9
81.03405	2.0
81.07050	14.7
83.04971	5.0
83.08610	1.2
85.02884	0.8
85.06541	2.1
91.05474	10.2
92.76146	0.4
93.07034	6.9
95.04963	6.4
95.08599	9.6
97.02874	3.0
97.06527	2.1
97.10143	0.7
99.08096	0.6
103.05463	5.0
104.06231	0.8
105.07025	50.5
106.07353	1.0
107.04919	1.4
107.08590	12.6
109.06502	7.7
109.09461	0.8
109.10146	7.9
111.04435	41.3
111.08064	1.3
112.04758	0.7
115.05450	7.7
117.07034	1.1
118.04140	3.1
119.04956	1.0
119.08571	18.4
121.06481	2.0
121.10136	4.1
122.03621	0.6
123.04444	4.7
123.08086	3.3
123.11700	3.4
125.05947	0.6
129.05502	0.6
129.07010	1.0
131.04898	1.0
131.08533	1.6
131.36905	0.4
132.05621	0.9
133.02829	1.9
133.06482	29.2
133.10115	6.4
134.06873	0.6
135.08051	4.9
135.11665	1.9
137.05991	8.3
137.09589	1.6
142.07739	1.3
143.05002	0.6
143.06033	1.7
145.10101	1.6
146.97473	0.5
146.99600	0.4
147.04419	0.6
147.08037	1.2
147.11670	23.3
149.05917	1.3
149.09583	1.8
149.13191	1.1
150.03035	0.7
151.07484	1.3
151.11176	2.0
153.11961	0.5
157.10085	1.9
160.08803	0.9
161.05971	36.3
161.67720	0.4
161.75699	0.5
162.06322	0.9
163.07541	1.1
163.11076	0.6
165.05475	0.8
165.09145	0.8
165.12738	15.9
166.13098	0.6
169.99074	0.6
175.04056	0.6
175.11232	5.2
175.12579	0.7
175.14786	2.4
178.02589	2.5
178.09802	0.6
193.03246	1.0
193.04964	11.9
193.08614	12.6
193.12225	100.0
194.07968	0.7
194.12561	1.8
194.15404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03937	0.7
55.05511	4.2
57.07071	0.7
59.05013	0.6
62.98353	0.5
65.03951	0.5
65.61216	0.4
67.05505	2.6
69.03436	3.8
69.07065	3.9
70.06422	1.5
70.06844	1.1
71.05010	0.7
72.67474	0.5
79.05501	5.6
81.03381	0.5
81.07059	4.5
83.04998	0.7
87.04468	1.2
91.05479	9.8
93.07045	12.8
95.04971	2.3
95.08594	4.6
97.06524	1.0
103.05475	0.6
105.07034	48.8
107.08595	19.3
109.06510	2.0
109.10136	1.5
115.05431	0.8
117.07014	1.3
119.04923	1.0
119.08588	25.9
121.06532	1.0
121.10147	4.3
123.08092	1.7
123.11690	1.9
129.07008	0.6
131.08598	1.6
132.05693	0.5
133.06474	3.3
133.10136	14.5
135.08054	0.8
135.11707	1.4
137.05994	2.8
137.09602	0.7
137.15759	0.5
142.07784	1.2
145.10103	2.2
147.08002	1.4
147.11690	100.0
148.12033	1.8
149.13283	2.3
151.07523	1.7
151.11185	0.8
157.10150	2.6
160.08852	4.4
161.05971	2.4
165.12772	4.2
175.11191	24.4
175.14809	1.6
178.02599	0.8
193.05034	4.2
193.08676	0.7
193.10507	1.4
193.12247	21.5
193.15891	1.8
193.18571	0.8
194.15457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
52.69536	0.6
53.03942	1.9
54.92189	0.5
55.01880	3.3
55.05516	3.3
56.96526	0.5
57.03407	0.9
57.07072	1.9
57.47345	0.5
59.05009	0.8
65.03941	1.0
66.04720	0.7
67.05516	5.8
69.03430	2.2
69.07068	14.9
71.04991	1.5
71.60526	0.7
73.19147	0.6
74.35341	0.5
79.05061	1.0
79.05499	15.7
81.03421	2.0
81.07063	10.5
83.04985	2.3
83.08635	1.3
85.06546	1.7
90.04698	0.7
91.05483	18.0
93.07053	16.5
95.04974	7.3
95.08620	6.8
97.06538	2.5
99.08109	0.7
103.05474	10.9
104.06277	1.3
105.07034	100.0
106.07354	1.1
107.04959	3.5
107.08595	19.0
108.09012	0.6
109.06505	3.3
109.10168	6.2
111.04481	1.0
111.08068	1.3
113.06028	0.6
115.05465	16.6
117.07055	1.7
118.04154	7.0
118.04918	0.8
119.04954	3.2
119.08582	23.8
120.05737	1.0
121.06505	2.2
121.09319	1.2
121.10152	17.5
121.11026	1.0
123.04410	1.1
123.08026	3.0
123.11687	2.4
125.05967	1.1
129.07025	0.9
131.04935	3.3
131.08609	3.4
132.05682	0.8
133.02846	2.8
133.06499	76.9
133.10133	22.5
134.06905	0.7
135.08037	1.7
135.11700	5.2
137.05992	4.2
137.09660	2.8
137.13229	0.7
142.07790	1.0
142.16809	0.7
143.04980	1.2
143.06062	4.9
145.10149	1.7
147.04393	1.0
147.08141	2.9
147.11693	24.2
148.08832	1.5
149.05959	1.1
149.09621	14.0
149.13278	2.6
150.03099	1.0
151.07570	4.1
151.11171	4.8
157.10126	1.8
160.08809	0.8
161.05989	92.0
162.06303	1.9
165.05484	0.9
165.09116	2.5
165.12724	4.2
175.03874	0.9
175.11209	13.8
175.14827	4.9
178.02588	2.8
193.04990	12.6
193.08617	20.8
193.12256	39.7
193.15900	5.7
194.12694	0.9
198.31868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.13775	0.6
53.03954	2.0
55.01867	1.8
55.05511	12.4
55.56709	0.7
57.07085	2.9
59.05013	2.1
65.03936	1.5
67.05504	11.5
69.03422	3.9
69.07069	26.3
70.07424	0.8
71.04993	14.9
71.60155	0.7
71.60537	0.9
73.02924	2.3
77.03951	0.8
79.05491	11.1
81.03426	1.5
81.06580	1.3
81.07057	24.6
82.92066	0.6
83.04992	3.7
83.08614	3.4
85.06538	9.2
91.05480	18.4
91.05907	0.9
91.08329	0.6
92.36847	0.7
93.07047	46.0
95.04365	1.5
95.04972	30.0
95.08608	20.8
97.06548	4.4
97.10172	9.6
99.08080	4.1
103.05467	1.4
105.07034	59.3
107.04963	1.5
107.08597	42.8
109.06523	85.8
109.10158	22.5
111.08082	7.7
111.11736	2.6
115.05489	0.7
117.07014	2.4
119.04968	1.1
119.08587	51.4
121.06541	0.8
121.10146	16.5
123.08077	12.5
123.11707	20.2
123.12584	1.3
125.06013	1.0
128.98587	0.9
129.07002	0.8
131.08575	2.4
133.02850	2.8
133.06529	6.3
133.10135	34.3
135.11696	34.2
137.06027	3.4
137.09618	17.1
138.10324	1.1
139.07582	0.8
142.07774	1.7
145.10129	3.3
147.04453	0.9
147.08057	2.2
147.11693	100.0
148.12013	1.7
149.09612	1.5
149.13269	11.3
151.07527	1.4
151.11189	11.3
151.14827	2.0
157.10141	2.9
161.05997	6.3
165.05470	0.9
165.09155	0.9
165.12785	3.5
169.99039	0.9
175.09761	1.1
175.11220	16.1
175.14827	39.9
178.02608	1.9
178.07843	1.6
179.08545	1.1
193.03297	1.1
193.04976	12.4
193.08568	2.1
193.10167	6.5
193.12228	19.3
193.15884	74.4
194.11006	0.9
194.16043	0.8
208.62318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02365	1.0
53.03946	7.1
55.01862	4.4
55.05507	7.5
59.04992	1.5
65.03912	2.0
66.55712	0.9
67.05502	33.2
69.03416	4.3
69.07065	10.1
70.16648	1.9
70.17068	3.1
71.04985	10.7
73.06503	1.1
74.26909	1.0
77.03931	1.9
79.05489	66.2
81.03408	11.4
81.07052	28.9
83.04978	8.2
83.08595	3.1
85.06518	2.8
91.05475	87.1
93.03387	1.4
93.07038	98.3
94.07352	1.7
95.04967	29.2
95.08603	10.7
97.02870	2.9
97.06511	3.6
97.61891	0.9
103.05468	9.3
105.04507	2.4
105.07025	100.0
106.07309	1.7
107.04929	4.0
107.08607	4.9
109.02880	2.1
109.06516	8.2
109.10163	7.1
111.04417	3.2
111.08064	1.8
113.06005	2.5
115.05450	15.3
117.06995	1.1
118.04155	6.8
119.04881	1.6
119.08582	22.4
121.06501	2.3
121.10138	2.3
123.04454	1.6
123.08041	2.5
123.11707	3.2
127.07551	2.3
129.07016	17.0
131.04929	2.6
131.08568	23.3
132.05704	1.5
133.02844	2.5
133.06485	62.6
133.10121	86.6
134.06842	1.6
134.10512	1.1
135.11668	2.2
137.05945	3.0
137.09642	1.5
142.07762	3.7
143.05022	1.2
143.05988	5.3
145.10123	2.0
147.04361	1.4
147.08018	7.9
147.11674	24.9
149.06004	2.1
149.09602	2.8
151.07484	1.7
157.10118	23.6
161.05971	80.2
162.06319	2.0
165.05426	1.5
165.12778	1.1
175.07558	1.4
175.11172	23.4
175.14806	3.6
178.02663	2.0
178.06145	1.4
184.94246	1.1
193.04959	23.3
193.08595	32.3
193.10161	1.4
193.12224	21.8
193.15875	5.1
193.19560	1.3
210.22229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03943	1.8
55.01874	4.2
55.05502	2.5
57.07058	0.8
65.03929	0.9
67.05500	4.6
69.03434	1.9
69.07069	11.7
69.55730	2.3
69.56158	1.4
71.05009	1.1
78.78969	0.5
79.05493	14.0
81.03416	0.9
81.07059	8.3
83.04998	1.4
83.41972	0.5
85.06591	0.7
90.04715	0.8
91.05482	15.4
93.07043	13.9
95.04969	7.7
95.08607	5.8
97.06552	2.8
98.21477	1.1
102.04753	0.6
103.05472	11.5
103.06134	0.9
105.07032	100.0
106.07363	1.1
107.04958	2.9
107.08592	15.7
107.09291	0.9
109.06537	3.6
109.10152	2.8
111.04404	0.9
111.08072	1.1
115.05460	15.8
115.06274	1.0
117.07023	1.1
118.04165	7.5
119.04964	2.8
119.08576	18.1
121.06523	2.1
121.10143	16.0
121.11023	0.7
123.04461	0.7
123.08083	2.8
123.11714	1.7
125.05947	0.9
126.17659	0.5
131.04948	2.1
131.08565	3.2
132.05705	0.8
133.02855	1.2
133.06493	71.8
133.10130	15.8
134.06900	1.0
135.08017	1.6
135.11688	1.5
137.06010	3.6
137.09607	2.1
142.07753	0.8
143.04932	1.4
143.06062	3.8
145.06540	0.5
145.10130	1.6
147.04422	0.6
147.08070	3.6
147.11687	22.8
148.08859	1.5
149.06009	0.8
149.09618	12.8
149.13269	1.5
151.07573	5.8
151.11183	3.2
157.10146	1.9
160.05075	0.5
161.05983	84.6
162.06343	1.4
165.09131	2.3
165.12735	3.0
173.69518	0.5
175.09755	0.8
175.11191	11.4
175.14897	0.8
178.02623	1.3
178.06183	0.8
178.07748	0.6
193.04959	7.5
193.08621	14.7
193.10570	1.2
193.12245	34.0
193.15869	1.1
194.15392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03950	1.8
54.10884	0.7
55.01867	4.4
55.05501	3.7
59.50745	0.7
65.03934	0.7
65.13143	0.7
67.05504	7.1
69.03417	2.6
69.07069	12.2
71.04997	1.6
79.05492	17.0
81.03424	5.3
81.07061	9.7
83.04977	2.7
83.08627	1.1
85.02899	0.8
85.06527	1.1
90.04710	0.8
91.05476	21.1
93.07049	15.4
95.04971	10.2
95.08611	6.1
97.06514	2.7
103.05463	9.2
104.06266	1.0
105.03365	0.9
105.07030	100.0
106.07355	1.5
107.04963	4.4
107.08595	17.3
109.06535	4.5
109.10163	4.4
111.04475	1.8
111.08075	1.7
115.05453	15.7
117.07020	1.3
118.04141	6.7
119.04938	2.9
119.08575	20.7
121.06499	2.1
121.10141	18.9
123.08054	3.2
123.11727	2.8
125.06053	0.8
129.05444	0.9
129.07008	2.7
131.04938	3.1
131.08559	4.6
132.05714	1.8
133.02835	3.6
133.06491	72.6
133.10120	24.1
134.06888	0.8
134.10455	0.9
135.08040	2.2
135.11673	1.6
137.05980	4.9
137.09593	2.1
142.07779	1.9
143.04982	1.5
143.06033	4.9
145.10112	2.3
146.99689	0.9
147.04425	1.0
147.08028	4.6
147.10493	1.1
147.11676	21.8
148.08807	1.5
149.05914	0.9
149.09628	14.3
149.10768	1.5
149.13304	2.0
151.07555	7.9
151.11174	4.5
157.10165	3.2
160.08847	0.9
161.05980	89.2
162.06371	1.8
165.05487	1.2
165.09103	3.0
165.12767	3.1
175.07632	0.8
175.11197	14.2
175.14806	1.3
178.02666	2.1
178.06268	0.8
193.04973	15.2
193.08620	26.2
193.10588	1.6
193.12239	47.3
193.15894	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
53.19635	1.0
54.56662	1.0
55.01861	3.1
55.05517	10.9
56.96539	1.2
57.03421	1.7
57.07071	6.4
59.04962	1.2
60.79502	1.0
64.62980	1.2
65.03932	3.5
67.05505	22.2
69.03432	8.3
69.07066	21.8
69.30701	3.7
69.31122	8.5
71.04975	3.2
71.08574	1.4
79.05493	22.9
81.03405	3.2
81.07059	27.9
83.04980	6.7
83.08616	2.6
85.06527	2.3
90.09084	1.1
91.05480	51.6
93.07047	34.7
93.07624	2.4
95.04976	11.1
95.08614	16.7
96.32410	1.1
97.06525	5.5
101.06021	1.1
103.05468	3.9
105.03409	1.2
105.07032	95.5
107.04957	4.8
107.08599	34.5
109.02869	1.3
109.06500	11.2
109.10159	5.5
111.04462	12.3
115.05447	3.5
117.07008	3.4
118.04111	1.9
119.04926	5.6
119.08580	53.7
120.16959	1.1
121.02866	1.3
121.06500	3.4
121.10149	21.8
122.03638	1.5
123.04390	1.3
123.08051	7.6
123.11690	3.6
125.05985	4.6
128.13483	1.1
129.05499	1.7
129.06993	4.8
131.08565	9.3
133.02849	13.7
133.06494	15.7
133.10133	75.7
135.08038	2.8
135.11687	3.6
137.05972	13.7
137.09592	4.0
137.13225	1.9
142.07762	4.5
145.10135	6.4
147.08035	4.3
147.11690	100.0
149.05957	2.0
149.09641	6.8
149.13254	4.5
151.07576	9.2
151.11243	5.4
157.05020	1.2
157.10141	11.1
160.08797	2.8
161.06004	8.8
163.11174	2.6
165.05473	3.3
165.09029	2.8
165.12778	7.7
175.03989	1.3
175.11188	76.3
175.14758	4.4
176.11441	1.7
178.02596	8.5
178.08008	2.1
193.04971	46.8
193.08542	4.3
193.10458	6.0
193.12234	98.1
193.15820	9.5
194.08104	2.0
194.12500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02381	0.6
51.68634	0.9
53.03940	1.8
55.01870	5.1
55.05515	5.1
56.96565	0.9
57.03430	1.4
57.07067	1.3
58.06600	1.1
59.06933	0.8
65.03930	1.6
67.05503	7.5
69.03424	3.0
69.07065	14.5
71.04984	2.3
71.59437	1.3
72.04520	1.5
77.03922	1.0
79.05491	17.2
80.05789	0.8
81.03410	7.5
81.07051	13.0
83.04977	4.0
83.08610	1.0
91.04901	1.1
91.05479	21.8
93.03452	0.8
93.07038	19.2
94.07361	0.9
95.04966	12.2
95.08595	7.9
97.06522	3.5
103.05466	10.9
103.68519	0.7
104.06244	1.6
105.07027	100.0
106.07337	1.9
107.04944	4.7
107.08590	22.4
109.06505	5.4
109.10155	5.2
111.04439	2.4
111.08093	1.9
111.52930	0.9
115.05448	13.8
117.07017	2.1
118.04168	5.7
119.04950	3.4
119.08574	25.4
121.06512	2.0
121.09309	1.3
121.10141	19.5
123.04416	1.2
123.08030	3.3
123.11707	3.6
125.06010	1.4
129.05466	1.4
129.06995	2.7
130.04167	0.7
131.04926	2.3
131.08568	5.1
132.05676	1.7
133.02887	3.8
133.06488	72.9
133.10126	34.7
134.10495	2.6
135.08035	2.6
135.11678	2.6
137.05971	6.4
137.09599	2.6
142.07753	2.6
143.04976	1.3
143.05962	3.5
145.10130	1.5
147.04391	1.3
147.08057	4.1
147.11684	33.1
148.08838	2.2
149.02434	0.8
149.09613	17.5
149.13260	2.8
150.03178	0.9
151.07530	5.6
151.11140	5.3
157.10127	4.2
160.05214	1.1
161.05977	76.0
162.06287	2.5
165.05461	1.9
165.09149	3.5
165.12810	4.1
175.11172	18.6
175.14809	2.4
176.03523	0.8
178.02621	2.8
178.06342	1.3
193.04955	21.5
193.08604	32.0
193.12253	46.9
193.14101	5.9
193.15884	2.4
194.12692	1.0
195.42696	0.6
208.22630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
54.06641	0.5
55.01861	2.5
56.34292	0.5
58.19987	0.5
71.19867	1.4
79.05499	6.9
83.60748	0.6
90.04694	0.7
91.05484	3.4
95.04948	1.3
103.05468	10.4
105.07030	69.7
106.07354	1.7
115.05460	14.1
118.04177	5.8
131.04947	2.5
132.05727	1.0
132.64838	0.8
133.06494	72.1
134.06841	0.7
143.04930	1.4
143.06041	3.8
149.06010	0.7
150.64766	0.6
155.94778	0.5
161.05981	100.0
162.06348	2.4
178.02676	1.2
178.06277	0.8
193.04916	2.8
193.08609	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	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.83149	0.5
53.03942	1.2
55.01875	3.4
55.05516	0.8
58.10466	0.7
65.95324	0.5
66.47842	0.5
67.01893	0.6
67.76053	0.5
69.07069	0.8
69.84188	1.9
69.84592	1.4
71.04992	0.7
77.18927	0.6
79.05490	10.7
81.07043	1.4
89.03954	0.7
90.26835	0.6
91.05486	5.5
93.07041	1.7
95.04975	2.1
95.08592	2.0
96.13319	0.8
98.21603	0.5
103.05469	11.6
104.06293	1.0
105.07032	88.5
106.07346	1.4
107.08604	1.3
109.06542	0.6
109.10155	1.7
115.05450	18.7
118.04165	9.9
119.08600	2.1
123.11688	0.6
131.04921	3.3
132.05692	1.6
133.06493	83.1
133.10139	4.2
134.06839	1.7
135.08031	0.7
135.11685	1.9
137.06021	0.7
143.04938	1.8
143.06042	4.9
143.82776	0.6
147.11696	2.0
149.13258	0.7
161.05981	100.0
162.06354	2.2
165.05525	0.6
165.09067	0.6
168.62068	0.6
175.11172	1.2
175.14775	2.5
178.02570	0.7
193.04958	21.9
193.08612	21.8
193.10074	0.6
193.12279	1.7
193.15860	1.6
194.05298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02369	1.0
53.03939	0.8
55.01869	3.0
56.34251	0.6
65.23538	0.5
65.92530	0.5
69.49871	2.3
69.50288	2.6
79.05490	9.3
81.82608	0.5
90.04694	1.0
91.05463	3.3
95.04953	1.4
103.05462	11.2
104.06247	1.3
105.07026	76.0
106.07362	1.6
115.05444	16.6
118.04154	8.3
131.04938	3.0
132.05753	0.7
133.06488	71.8
134.06807	1.2
143.04877	1.9
143.06035	4.7
161.05974	100.0
162.06349	1.6
193.08592	14.7
193.10295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03939	1.1
53.37544	0.5
55.01880	3.5
69.49726	3.7
69.50133	0.9
77.03944	0.6
79.05499	8.3
79.05918	1.0
90.04711	0.6
91.05488	3.5
95.04976	2.0
98.20771	0.6
101.84424	0.5
103.05476	11.7
104.06300	0.6
105.07037	85.5
106.07378	1.2
108.30569	0.5
115.05457	18.4
118.04168	9.1
131.04930	3.0
132.05742	1.1
133.06499	78.9
134.06833	1.5
143.04926	1.5
143.06061	4.2
149.06018	0.8
156.26297	0.5
161.05989	100.0
162.06366	1.7
193.04932	0.9
193.08626	14.0
207.95976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.43233	1.0
53.03927	1.4
54.48935	1.2
55.05264	2.0
55.05511	29.1
57.07061	4.9
67.05505	21.4
69.06724	1.6
69.07071	23.8
70.00848	7.4
76.79019	1.2
79.05501	14.3
81.07055	19.7
83.08620	23.6
91.05466	9.7
91.90887	1.3
92.50172	1.2
93.07050	46.3
95.04952	2.2
95.08609	69.4
97.10162	25.6
105.07012	10.2
107.08595	64.6
109.10159	96.1
110.10486	1.5
110.38539	1.4
119.08580	3.7
121.10149	87.7
123.11729	9.5
126.51530	1.4
131.08575	2.2
133.10124	5.1
135.08109	1.4
135.11697	69.3
136.11986	2.1
145.10144	2.8
147.11728	2.2
149.13240	17.4
163.14815	5.8
173.09601	2.0
173.13261	4.5
191.07065	1.6
191.10724	2.3
191.14355	12.0
191.17957	100.0
192.18382	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0708
Annotation	Quinic acid
Peak:m/z	Relative Intensity
53.03934	6.9
55.01862	5.1
55.05512	22.3
57.07075	2.8
58.60744	1.6
63.14499	1.6
65.03925	9.1
66.92932	1.6
67.05506	35.2
68.99792	3.2
69.03432	49.7
69.07069	9.4
69.73641	13.1
79.05493	14.4
81.03423	4.4
81.07060	19.0
83.04987	78.6
83.08627	1.8
85.02902	13.1
85.06532	6.0
87.00822	7.2
91.05480	15.2
92.84299	2.2
93.03428	11.5
93.07042	13.1
95.04974	74.4
95.08618	16.0
97.02878	4.9
97.06513	2.2
99.08089	22.7
101.06017	4.5
102.46474	1.8
103.05492	11.5
105.07031	89.4
106.70658	1.9
107.08611	16.4
109.06514	5.5
109.10158	30.4
111.04444	71.1
111.08089	3.5
115.05450	16.5
118.04131	8.4
119.08582	17.2
121.02872	9.5
121.06493	2.1
121.10151	6.1
123.08096	5.5
123.11732	3.2
129.05486	61.1
131.04947	3.4
131.08575	3.1
133.02849	6.1
133.06500	80.5
133.10130	38.3
135.08080	1.9
135.11694	23.6
137.05972	3.3
137.09625	17.6
139.03915	25.4
143.06047	3.9
147.06528	26.4
147.07805	3.1
147.11679	6.3
149.13278	3.9
157.04944	11.0
161.05984	100.0
165.05461	2.4
165.09018	2.1
175.11169	5.2
175.14818	19.5
178.02628	3.9
193.04973	40.1
193.06831	3.6
193.08640	16.6
193.10420	3.0
193.12267	5.7
193.15887	30.9
194.73427	1.7
201.31841	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
55.05301	1.9
55.05513	21.6
56.96557	2.1
57.07058	7.3
67.05506	23.9
69.03421	7.8
69.06721	2.3
69.07072	31.1
70.95241	5.2
71.04980	6.7
79.05499	24.2
81.07064	38.3
83.04980	3.7
83.08615	18.9
85.06521	2.2
90.42035	1.7
91.05479	18.9
93.07047	53.0
95.04973	6.2
95.08611	83.6
97.06517	3.2
97.10174	16.7
101.41689	1.8
103.05438	3.6
105.07031	30.7
107.04948	5.2
107.07866	4.1
107.08595	69.9
109.06509	14.3
109.10160	79.5
111.08109	2.6
115.05466	2.6
117.07016	10.8
117.45544	1.7
119.04907	1.8
119.08574	13.9
121.06524	13.2
121.10149	97.3
123.08059	8.7
123.11717	15.3
129.06996	4.5
130.07784	2.4
131.04887	1.9
131.08592	21.1
133.10141	23.8
135.08072	19.1
135.11694	75.8
139.66823	1.8
143.08569	2.6
145.06400	3.5
145.10132	21.4
145.53685	1.5
146.06029	2.2
147.11687	13.1
149.09644	10.3
149.13272	24.8
156.08058	2.3
158.10901	4.9
161.09616	2.2
163.07523	2.2
163.11200	5.2
163.14804	4.3
173.06036	3.6
173.09642	15.1
173.13278	25.4
176.04672	3.2
177.07889	4.8
191.03439	5.5
191.06992	10.9
191.09013	3.2
191.10670	17.2
191.14330	62.0
191.17964	100.0
192.10168	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	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.05264	2.0
55.05513	21.6
57.07080	4.9
58.01839	0.9
67.05508	27.3
69.03420	3.1
69.07072	17.3
70.94637	2.3
70.95011	2.1
71.04990	2.7
79.05498	13.0
81.07060	17.4
83.04982	2.6
83.08618	13.3
91.05475	13.1
92.17453	1.0
93.07046	46.2
95.04940	2.8
95.08611	56.7
97.06504	2.5
97.10173	28.6
103.05468	2.0
105.07033	16.9
107.04932	3.1
107.08598	50.4
108.08961	1.5
108.76678	0.9
109.06519	4.6
109.10159	100.0
110.10497	1.6
111.11708	1.4
117.07043	6.0
119.08577	9.9
120.08875	1.2
121.06499	2.8
121.10143	69.1
123.08083	3.5
123.11718	7.3
129.06982	1.1
130.07774	2.2
131.04916	2.8
131.08574	13.5
133.06483	1.6
133.10133	9.7
135.04393	1.0
135.08063	4.7
135.11694	57.8
136.12030	1.7
140.29825	1.0
145.06473	1.5
145.10150	14.6
146.06023	2.0
147.08064	3.2
147.11743	4.8
147.12784	1.2
148.05255	1.2
149.05966	2.0
149.09627	4.1
149.13272	17.7
158.10892	1.8
161.09576	1.1
163.07472	1.6
163.11177	3.3
163.14832	3.2
173.09624	11.5
173.13248	11.5
176.04803	1.2
177.07826	5.5
191.03340	2.5
191.07013	4.9
191.08870	2.0
191.10667	16.5
191.14325	22.7
191.17958	83.5
192.06593	3.1
192.10197	9.2
192.13823	1.6
192.18388	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05508	19.5
57.07076	5.9
58.21975	0.9
65.03910	1.2
65.33079	1.1
67.05502	17.1
69.06721	2.0
69.07068	24.1
69.61426	7.5
77.73785	1.2
79.05492	12.7
81.07055	21.5
83.08142	1.6
83.08616	19.4
91.05465	11.2
93.07045	45.6
94.07403	1.2
95.08606	51.4
96.08914	1.4
97.10160	13.6
105.07037	13.9
107.08595	62.2
108.08955	1.3
109.06510	1.6
109.10153	65.7
111.11712	1.4
117.07027	3.2
119.08572	9.0
121.06512	1.0
121.10140	65.7
123.11712	7.7
124.37685	1.1
129.06909	1.2
130.07779	2.1
131.08577	6.7
133.10107	3.3
135.11691	71.2
145.10121	19.8
147.11681	4.7
148.12054	1.3
149.13261	25.5
163.11147	1.3
163.14861	4.3
173.09624	12.6
173.13182	1.5
176.15173	2.2
180.93332	1.1
191.10663	6.8
191.14430	7.7
191.17953	100.0
191.80453	0.9
192.10083	1.2
192.18253	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	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.6
53.03953	1.0
55.01872	0.9
55.05513	11.8
57.03425	0.4
57.07078	3.5
57.34535	0.5
59.04995	0.4
60.45744	0.4
65.03953	0.5
67.05505	9.9
69.03436	0.7
69.07070	13.0
69.61238	4.0
74.09740	0.6
74.80112	0.5
77.03943	0.6
79.05498	10.8
81.03423	0.6
81.07058	16.1
83.04994	1.2
83.08614	9.7
90.53903	0.5
91.04906	0.6
91.05023	0.4
91.05484	17.9
93.07047	30.6
94.07848	1.0
95.04970	2.7
95.08610	31.4
97.02872	0.5
97.10175	9.3
103.05479	2.7
105.07033	46.4
106.07338	1.1
107.04970	1.8
107.08596	30.2
109.06514	1.8
109.10156	29.2
111.11736	0.6
115.05482	1.9
116.06240	1.4
117.07018	13.0
119.07702	0.5
119.07846	0.3
119.08582	13.3
121.06512	1.7
121.10143	39.4
123.08102	1.3
123.11716	6.0
128.06245	1.8
129.06987	3.8
129.29793	0.5
130.07784	8.3
131.04936	3.3
131.08572	23.4
132.05757	0.6
132.08998	0.6
133.06496	0.9
133.10121	3.3
135.04434	1.9
135.07207	0.5
135.08061	2.4
135.11699	38.0
136.12077	0.7
141.91953	0.5
143.08575	3.2
144.05814	0.5
144.09386	0.5
145.06464	2.8
145.10127	37.8
146.10471	1.7
147.08026	1.0
147.10518	1.0
147.11690	19.1
148.12013	0.6
149.05981	2.4
149.09604	1.9
149.13257	9.0
155.08505	1.7
158.07271	2.7
163.11186	4.4
163.14838	1.1
173.09628	100.0
173.13257	2.6
174.09999	4.2
177.07968	0.5
191.03432	0.5
191.07022	1.0
191.09172	0.8
191.10674	31.2
191.14340	7.0
191.17949	44.1
192.10289	0.6
192.11102	0.8
192.18344	1.0
193.69727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.05261	1.6
55.05514	21.2
57.07077	5.9
67.05170	1.2
67.05508	19.7
69.06723	1.4
69.07072	22.6
70.14241	3.5
71.04990	1.7
71.08596	1.0
79.05495	15.1
81.07059	27.3
83.05006	1.0
83.08618	19.1
90.16614	0.8
91.05482	20.3
91.67862	0.8
92.05779	0.9
93.07051	52.5
95.04945	2.6
95.08607	60.4
96.08959	1.3
97.06534	1.0
97.10174	16.4
98.21445	1.8
100.02505	0.9
103.05495	1.9
105.07037	36.8
107.04957	2.1
107.08597	62.8
109.06512	2.1
109.10160	60.2
111.11709	1.1
115.05482	1.6
116.06243	1.7
117.07018	11.0
118.54064	1.0
119.08595	13.2
120.08884	1.3
121.06521	1.3
121.10146	79.3
123.08087	1.9
123.11724	9.6
124.07311	0.9
128.06250	1.8
129.07007	2.9
130.07802	7.6
131.04869	2.1
131.08585	19.4
133.10133	5.8
135.04411	1.6
135.08055	3.1
135.11699	79.1
143.08566	4.1
145.03441	1.9
145.06480	2.5
145.10127	44.3
146.10455	1.0
147.08086	1.5
147.10640	1.4
147.11700	16.9
148.12108	1.0
149.05948	2.1
149.09618	2.5
149.13264	23.7
155.08548	1.9
158.07324	1.4
158.10966	1.0
161.13283	0.9
163.04559	1.5
163.11191	3.2
163.14798	3.7
168.05060	2.5
173.09633	73.7
173.13191	6.2
174.10031	2.3
176.15184	2.6
177.07851	0.9
186.06114	1.4
191.07014	2.8
191.08923	1.9
191.10678	29.6
191.14337	14.4
191.17964	100.0
192.10161	1.3
192.18272	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.02385	0.3
51.33992	0.3
53.03956	0.8
55.01872	1.0
55.05513	14.9
57.07080	3.9
64.65023	0.2
65.03945	0.7
67.05509	12.8
68.99805	0.3
69.03446	0.6
69.07071	13.5
70.07397	0.3
71.04999	0.6
71.08627	0.5
71.59441	0.6
77.03945	0.7
79.05498	11.5
79.05962	0.5
80.05833	0.3
81.03423	1.1
81.07061	21.9
83.04996	0.4
83.08624	11.0
84.08935	0.3
85.10185	0.3
86.48112	0.3
88.15933	0.3
91.05485	18.0
92.05789	0.3
93.07050	35.3
94.07339	0.6
94.07836	1.0
95.04983	2.7
95.08611	33.9
96.08909	0.5
97.02905	0.8
97.06535	0.4
97.10175	11.8
99.04501	0.3
103.05488	2.0
104.86694	0.3
105.07038	46.0
106.07374	1.0
107.04961	1.3
107.08601	35.7
108.08940	0.6
109.06545	1.7
109.10160	32.7
110.10483	0.5
111.04459	0.4
111.11738	1.0
115.05429	1.4
116.06261	1.5
117.07027	12.8
119.04971	0.3
119.08587	13.3
121.06538	1.5
121.10150	47.3
122.10497	0.9
123.08078	1.0
123.11716	6.0
128.06247	1.9
129.07008	3.5
130.07796	9.6
131.04936	3.0
131.08580	22.1
132.05721	0.4
132.08928	0.6
133.06528	0.8
133.10155	2.5
135.04443	1.2
135.08115	1.5
135.11699	48.2
136.12024	0.9
143.08582	4.3
144.05698	0.4
145.06483	2.6
145.10130	39.8
146.10443	1.4
147.08064	0.8
147.11700	17.3
148.12053	0.6
149.05986	2.9
149.09659	1.7
149.13271	12.1
153.06993	0.6
154.07649	0.3
155.08588	1.8
158.07271	2.1
158.10918	0.6
162.13977	0.3
163.11188	3.7
163.14845	1.8
171.08165	0.3
173.09631	100.0
174.09966	4.2
177.07922	0.3
191.10684	27.8
191.14333	4.8
191.17955	51.7
192.11214	1.3
192.18324	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.97698	0.8
54.09258	0.9
55.05259	1.6
55.05507	17.5
57.07071	7.7
66.48740	1.1
67.05175	1.3
67.05499	16.4
69.03419	2.6
69.07065	26.4
70.72801	1.8
70.73158	2.0
71.04983	2.1
79.05488	9.7
81.07052	19.9
83.04971	1.4
83.08618	17.7
91.05473	10.3
93.07043	38.8
94.07376	1.1
95.04984	2.0
95.08604	44.6
97.06554	1.2
97.10172	11.7
103.05437	1.2
105.07028	17.1
106.07287	1.0
107.04943	2.2
107.08591	51.5
108.09002	0.9
109.06517	2.6
109.10155	64.9
117.07014	4.2
119.08559	6.9
121.06526	2.3
121.10142	61.9
123.08057	2.6
123.11704	8.5
127.44459	0.9
129.06955	1.1
130.07745	1.6
131.08546	9.6
133.10127	8.9
135.08022	3.8
135.11690	75.3
136.11906	1.0
143.08528	1.7
145.10117	22.9
146.10486	1.0
147.08043	1.5
147.11674	6.6
148.12498	0.9
149.05952	1.1
149.09596	2.9
149.13261	24.5
163.11128	2.2
163.14821	4.0
165.87433	0.9
173.08232	1.7
173.09624	14.1
173.13237	7.3
176.15285	1.0
177.07913	1.5
191.03300	1.1
191.07047	2.6
191.10651	9.9
191.14339	18.2
191.17946	100.0
192.06537	1.6
192.10202	3.1
192.18265	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05270	1.1
55.05513	18.9
57.07075	6.7
67.05503	19.4
69.03413	1.2
69.07066	25.2
71.35571	0.8
71.35902	2.2
79.05490	14.0
81.07050	22.1
83.04980	1.0
83.08617	19.2
86.66892	0.7
87.50746	0.8
91.05470	10.6
93.07042	45.2
95.04976	2.2
95.08605	60.1
96.08971	1.3
97.10172	15.4
105.07026	17.4
107.08594	62.0
108.08898	1.4
109.06502	1.9
109.10153	73.9
110.10509	0.9
111.11675	0.9
117.06979	4.5
119.08570	7.8
120.08917	1.6
121.06512	2.5
121.10141	63.4
122.10498	1.4
123.08041	1.7
123.11702	9.1
130.07820	1.7
131.08600	6.7
133.10092	4.2
134.10432	1.0
135.08090	2.1
135.11691	78.9
145.10124	20.9
147.11702	5.8
148.12288	0.9
149.09586	2.0
149.13258	28.0
155.08484	1.0
163.11221	1.7
163.14827	6.6
173.09608	16.4
173.13211	4.7
176.15182	3.6
177.07867	2.2
191.10681	8.6
191.14316	12.4
191.17960	100.0
191.28680	0.9
192.06610	1.2
192.10117	4.2
192.18265	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	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03941	1.6
55.01854	1.0
55.05513	11.3
56.96544	2.2
57.07060	4.2
59.04996	1.0
65.03939	1.0
66.04707	1.2
66.92918	1.2
67.05508	12.4
69.03429	5.1
69.07075	32.2
71.04996	3.1
71.58443	2.2
79.05119	1.3
79.05497	14.9
81.03426	1.3
81.07062	17.2
83.04974	3.6
83.08616	12.3
85.06545	1.7
89.08099	1.0
91.05489	14.3
92.27597	1.1
93.07051	43.3
95.04966	4.9
95.08613	64.6
97.02818	1.0
97.06532	2.8
97.10184	8.3
102.04674	1.6
103.05467	12.4
105.03377	1.4
105.07031	17.6
107.04958	4.0
107.08604	50.9
109.06542	6.0
109.09465	2.2
109.10165	31.3
111.11732	1.5
115.05489	2.6
117.07030	6.3
118.04156	7.5
119.04951	2.0
119.08622	8.8
120.55763	1.0
121.06493	7.4
121.10155	65.8
122.10514	1.5
123.08082	5.3
123.11716	8.1
129.07028	1.3
130.04144	3.3
130.07771	2.8
131.04944	11.2
131.08600	11.7
133.02829	1.2
133.06552	1.3
133.10144	16.0
133.16241	1.6
135.04416	1.8
135.08081	8.0
135.11697	48.2
142.57390	1.1
143.08549	1.5
145.06497	3.7
145.10141	14.1
146.06035	2.7
147.04433	1.4
147.08017	1.9
147.11728	5.6
148.04092	1.2
148.05168	6.5
149.09618	6.3
149.12184	1.7
149.13272	17.6
155.08493	1.2
158.10910	1.8
159.20349	1.2
163.03862	1.2
163.07509	8.4
163.11151	5.5
163.14822	4.0
173.06009	2.2
173.09607	4.0
173.13327	10.0
176.04675	7.2
177.07855	2.7
191.03387	4.6
191.07030	18.5
191.08655	2.2
191.10678	13.6
191.14334	34.1
191.17961	100.0
192.06506	2.5
192.10088	5.4
192.13760	1.2
192.17366	1.5
192.18318	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01854	1.0
55.05513	11.3
56.96544	2.2
57.07060	4.2
59.04996	1.0
65.03939	1.0
66.04707	1.2
66.92918	1.2
67.05508	12.4
69.03429	5.1
69.07075	32.2
71.04996	3.1
71.58443	2.2
79.05119	1.3
79.05497	14.9
81.03426	1.3
81.07062	17.2
83.04974	3.6
83.08616	12.3
85.06545	1.7
89.08099	1.0
91.05489	14.3
92.27597	1.1
93.07051	43.3
95.04966	4.9
95.08613	64.6
97.02818	1.0
97.06532	2.8
97.10184	8.3
102.04674	1.6
103.05467	12.4
105.03377	1.4
105.07031	17.6
107.04958	4.0
107.08604	50.9
109.06542	6.0
109.09465	2.2
109.10165	31.3
111.11732	1.5
115.05489	2.6
117.07030	6.3
118.04156	7.5
119.04951	2.0
119.08622	8.8
120.55763	1.0
121.06493	7.4
121.10155	65.8
122.10514	1.5
123.08082	5.3
123.11716	8.1
129.07028	1.3
130.04144	3.3
130.07771	2.8
131.04944	11.2
131.08600	11.7
133.02829	1.2
133.06552	1.3
133.10144	16.0
133.16241	1.6
135.04416	1.8
135.08081	8.0
135.11697	48.2
142.57390	1.1
143.08549	1.5
145.06497	3.7
145.10141	14.1
146.06035	2.7
147.04433	1.4
147.08017	1.9
147.11728	5.6
148.04092	1.2
148.05168	6.5
149.09618	6.3
149.12184	1.7
149.13272	17.6
155.08493	1.2
158.10910	1.8
159.20349	1.2
163.03862	1.2
163.07509	8.4
163.11151	5.5
163.14822	4.0
173.06009	2.2
173.09607	4.0
173.13327	10.0
176.04675	7.2
177.07855	2.7
191.03387	4.6
191.07030	18.5
191.08655	2.2
191.10678	13.6
191.14334	34.1
191.17961	100.0
192.06506	2.5
192.10088	5.4
192.13760	1.2
192.17366	1.5
192.18318	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
53.09768	1.0
55.01867	1.8
55.05513	5.0
56.40113	0.8
57.07070	2.1
67.05219	0.8
67.05508	8.6
67.64915	0.8
69.03081	1.0
69.03429	14.8
69.07068	8.1
70.99452	2.0
70.99784	1.2
71.04979	3.7
73.32756	0.7
75.03471	0.9
79.05492	8.7
81.03417	1.6
81.07057	9.1
82.63519	0.7
83.04993	6.5
83.08610	2.8
85.06526	2.4
91.05485	10.8
93.07045	12.3
95.04961	4.2
95.08609	13.0
97.06524	4.8
103.05475	10.1
105.07027	20.5
107.04950	4.7
107.08596	26.4
109.06515	13.4
109.10156	15.1
111.08050	1.4
115.05438	2.7
116.06210	0.8
117.07011	5.1
118.04131	3.1
119.08584	10.3
120.25743	0.9
121.06520	6.9
121.09308	1.7
121.10136	20.0
122.07287	1.8
123.08049	6.0
123.11674	2.8
129.06972	1.3
130.04173	1.6
130.07800	1.6
131.04950	8.2
131.08568	18.6
133.02864	1.1
133.06412	1.3
133.10129	64.0
134.10474	1.1
135.08055	21.8
135.11690	6.6
137.09639	9.5
143.08598	6.2
144.09340	1.6
145.06470	2.5
145.10124	14.7
147.08022	1.1
147.11674	7.2
148.05200	5.3
148.08725	0.9
149.04482	1.0
149.05978	1.6
149.09622	11.3
149.13239	9.6
150.10381	2.0
158.10924	8.9
161.09619	4.4
163.07565	6.5
163.11226	4.8
163.14810	5.1
167.05582	2.6
168.05516	1.3
169.03427	1.5
173.06064	1.2
173.09630	2.3
173.11749	2.0
173.13254	38.0
176.04695	3.3
176.11923	3.0
188.59807	0.9
191.03387	3.2
191.05396	1.8
191.07016	14.4
191.10747	7.8
191.14305	100.0
191.17961	3.9
192.10071	1.1
192.14694	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.89933	1.0
51.63499	0.9
55.01867	2.1
55.05511	4.6
67.05504	18.2
69.03425	2.3
69.07057	4.3
69.54703	4.1
69.55136	3.6
71.04998	23.9
79.05500	10.3
81.07063	11.0
83.04985	1.5
83.08599	2.2
85.06548	6.9
91.05478	15.1
92.13414	1.0
93.07049	11.0
94.34420	1.0
95.04975	13.0
95.08610	13.1
97.06527	6.6
103.05457	3.3
105.07033	29.6
107.07874	1.7
107.08598	32.7
109.06520	66.9
109.10157	86.9
111.08078	3.1
115.05440	2.8
116.06229	1.6
117.07015	4.0
117.14137	0.8
119.08574	9.4
121.06498	3.4
121.10148	35.7
123.08083	24.1
129.07014	1.7
131.04900	1.4
131.08572	42.2
133.06505	1.1
133.09122	1.2
133.10133	24.3
135.08058	80.3
135.11679	1.5
143.08582	3.5
144.09351	2.3
145.10150	8.5
147.08034	1.6
147.11679	11.5
148.05159	1.2
148.08777	1.3
149.09624	12.6
149.13249	7.1
150.10385	2.8
158.10910	8.7
161.09683	1.5
163.07573	1.7
163.11142	1.2
163.14836	1.7
173.13268	52.2
176.11986	1.9
191.07025	2.9
191.14317	100.0
191.17865	2.6
192.14638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	1.5
55.01855	1.0
55.05511	4.6
57.03432	0.8
57.07071	1.4
67.05512	4.0
69.03429	8.8
69.07065	5.9
71.04992	0.9
71.58108	1.0
77.46182	0.8
79.05502	5.7
81.03391	1.8
81.07074	5.2
83.04978	2.1
83.08608	1.0
91.04977	0.8
91.05492	8.3
92.05810	0.7
93.07058	5.6
95.04958	2.1
95.08612	4.3
97.02897	0.8
97.06536	1.1
98.59041	0.7
102.04694	0.8
103.05481	4.7
105.07034	12.9
107.04957	2.8
107.08601	19.3
109.06493	2.9
109.10183	6.5
115.05440	1.1
117.07005	3.0
118.04136	1.6
119.08582	4.8
121.06493	2.2
121.10148	13.2
122.07291	2.9
123.08066	2.3
123.11774	1.0
129.07010	1.6
130.04161	1.8
130.07761	1.0
131.04945	3.4
131.08549	8.1
133.02831	0.8
133.10135	100.0
134.10463	1.2
135.08066	6.0
135.11684	4.6
137.09628	17.9
143.08556	2.0
145.10144	6.7
145.30435	0.8
147.11691	3.8
148.05191	1.6
149.06018	1.0
149.09637	3.7
149.13255	9.5
158.10907	2.3
163.07576	2.9
163.14845	2.8
173.09650	2.1
173.13258	13.8
176.04657	1.7
191.03407	1.9
191.07005	5.8
191.09032	0.9
191.10622	5.9
191.14304	22.2
191.17996	1.7
192.06404	0.7
196.23004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05511	3.0
57.03432	0.8
57.07076	1.9
58.84517	0.5
62.36363	0.6
63.84839	0.5
67.05511	4.1
69.03435	8.6
69.07077	4.1
71.04991	1.2
79.05499	7.7
81.03416	0.8
81.07059	8.7
82.34723	0.6
83.04977	2.5
83.08611	1.0
91.05491	6.7
93.07045	5.6
95.04981	1.7
95.08598	3.7
97.06537	1.0
103.05486	2.1
105.07029	13.0
105.07684	1.1
107.04958	5.2
107.08599	21.1
109.06526	5.0
109.10162	10.8
115.05444	1.9
117.07009	2.8
118.04153	0.9
119.08591	4.3
120.08105	1.2
121.06518	3.1
121.10144	14.3
122.07285	1.8
123.08056	2.9
123.11707	0.7
129.07022	0.7
129.76567	0.6
131.04951	1.5
131.08569	8.8
133.10135	100.0
134.10420	1.2
135.08066	8.8
135.11671	3.0
137.09619	17.1
143.08577	1.6
145.06516	0.8
145.10107	4.6
147.08134	0.7
147.11696	2.9
149.09604	3.1
149.13260	9.7
158.10905	4.1
159.08012	0.8
163.07524	1.6
163.14833	2.3
173.05936	0.9
173.09654	1.5
173.13274	13.4
176.04654	1.0
177.84718	0.5
191.03371	0.8
191.07005	3.5
191.10770	4.0
191.14319	25.7
191.18001	1.2
192.14580	0.6
197.57115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
55.05507	5.9
57.03434	3.3
60.25654	1.7
67.05506	12.9
69.03426	2.1
69.07069	9.5
69.09106	1.7
71.04997	13.7
71.30392	3.4
71.30717	2.2
79.05488	8.6
81.07057	9.3
83.04985	3.6
85.06554	5.6
87.84393	1.7
91.05486	24.4
93.07038	16.8
94.39985	1.8
95.04979	16.3
95.08624	14.2
97.06528	7.5
103.05506	2.0
105.07030	40.6
105.07682	3.1
107.08588	28.0
109.06519	41.9
109.10159	38.4
110.10500	1.9
115.05479	1.9
117.07039	10.3
118.07716	1.9
119.08560	16.7
121.06500	4.1
121.10143	14.1
123.08086	8.7
123.11734	2.9
129.07004	5.2
130.07756	3.1
131.08568	72.9
133.10139	100.0
135.08063	48.7
135.09120	2.4
135.11664	4.7
136.83215	1.7
143.08572	8.4
144.09329	2.7
145.10117	30.1
147.11676	14.1
148.08836	2.2
149.09605	9.1
149.13257	17.7
150.10233	1.8
158.10909	13.2
163.14862	2.7
173.13277	67.0
191.10767	9.1
191.14320	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.93872	1.8
55.05505	3.3
57.03444	2.5
59.05007	2.2
61.85053	2.9
63.34822	1.6
67.05500	8.8
69.07061	9.3
70.94051	5.8
71.04990	11.1
79.05483	8.3
81.07054	12.8
83.08624	4.9
85.06551	4.8
91.05507	13.9
93.07038	13.9
95.04973	12.0
95.08622	9.8
97.06530	9.6
105.07034	43.1
107.08601	26.5
109.06519	37.4
109.10156	35.8
115.05491	2.5
117.07030	4.8
119.08589	24.1
121.06529	2.6
121.10165	15.3
121.68361	2.1
123.08045	11.3
123.11681	6.9
129.07008	2.6
130.07744	2.7
131.08571	42.6
133.10144	100.0
133.71979	2.2
135.08058	46.3
135.11722	2.0
143.08562	7.8
145.10127	17.5
147.11681	20.7
149.09599	6.4
149.13271	18.6
158.10912	13.6
161.09650	2.3
163.11247	3.0
163.14839	2.7
173.13272	69.7
191.14326	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	2.9
55.01854	2.1
55.05518	8.8
56.96566	1.3
57.03424	1.1
57.07057	3.6
59.04983	1.1
65.03936	1.4
67.05502	7.1
69.03082	1.1
69.03429	20.3
69.07069	7.1
70.63634	0.9
71.04987	1.4
79.05489	37.9
80.05784	0.9
81.07053	34.9
83.04978	10.5
83.08602	3.4
85.06525	1.8
91.05470	18.4
93.07043	18.8
94.31932	0.9
94.76470	0.9
95.04962	5.0
95.08600	8.8
97.06549	1.9
98.21484	3.4
103.05460	11.3
105.07026	19.4
107.04951	24.2
107.08588	59.2
109.06494	7.7
109.10144	11.0
110.07273	1.5
111.08022	1.3
115.05434	3.9
117.06998	6.0
118.04143	3.6
119.08567	8.8
120.05704	3.3
121.06532	9.4
121.10143	20.4
122.07287	2.8
123.08057	3.1
123.11629	1.4
129.07013	1.1
130.04102	3.0
130.07761	1.4
131.04933	8.8
131.08553	16.2
133.02797	1.8
133.06508	2.2
133.10121	100.0
135.08047	14.0
135.11679	7.6
137.09605	24.2
143.08542	3.0
144.09271	1.2
145.06487	1.8
145.10115	9.8
146.03574	1.0
147.07979	1.2
147.11703	6.0
148.05167	7.0
149.05963	1.3
149.09624	5.8
149.13245	12.4
158.10857	3.7
161.09557	1.2
163.07529	11.4
163.11147	2.6
163.14763	2.2
172.98880	1.0
173.05885	1.2
173.09572	4.0
173.13243	18.7
176.04739	5.2
191.03381	4.5
191.05336	1.6
191.07013	14.9
191.08653	1.4
191.10646	8.8
191.14290	57.1
191.17923	5.2
192.07074	0.9
192.10056	1.2
192.17493	1.3
202.36041	1.0
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03938	2.8
55.05273	2.4
55.05508	19.7
57.07063	5.8
67.05505	22.5
68.31660	2.7
69.03395	4.7
69.07067	28.0
69.79110	2.4
70.52077	5.5
70.52464	5.5
71.04992	3.2
79.05495	23.3
80.03397	2.1
81.07061	29.0
83.08598	14.8
84.36589	2.8
91.05483	26.1
92.77676	2.2
93.06471	4.9
93.07044	92.4
95.04964	7.9
95.08604	95.8
95.39668	2.2
97.06510	6.5
97.10178	11.2
103.05441	2.6
105.07020	25.6
107.04923	3.4
107.08594	100.0
109.06497	7.0
109.10152	58.5
111.08095	3.4
111.11727	2.8
117.07019	8.6
119.08583	18.3
121.06482	5.3
121.09314	4.7
121.10149	78.8
123.08036	7.6
123.11687	8.1
128.04985	2.4
130.07790	3.5
130.29620	2.2
131.08585	19.5
133.10130	15.5
135.08113	11.4
135.11696	76.4
143.08556	3.6
145.10118	20.8
146.06009	2.6
147.11655	15.2
149.08261	7.6
149.09616	5.6
149.13264	27.6
158.10947	8.0
163.11174	3.5
163.14850	20.2
167.76222	2.2
173.09607	11.1
173.13243	33.6
176.11916	2.4
177.07848	6.7
191.06984	5.9
191.08713	2.6
191.10661	17.8
191.12650	5.2
191.14322	71.5
191.17946	93.2
192.06523	3.1
192.10187	12.1
192.12360	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	191.1066
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03933	0.5
55.01883	2.4
55.05498	1.6
57.03427	0.4
67.05486	1.2
69.03436	1.1
69.07049	1.5
70.65865	1.6
71.04986	1.3
79.05490	4.4
81.07047	1.9
83.05000	2.6
85.06546	0.5
91.05484	7.2
93.07053	5.2
95.01329	0.7
95.04955	2.0
95.08585	2.1
97.06529	1.2
102.04688	0.4
103.05469	4.3
103.84673	0.4
105.06377	0.8
105.07037	9.6
107.04951	6.3
107.08598	5.0
109.06542	1.2
109.10143	1.9
115.05431	1.3
116.06223	0.9
117.07006	7.7
118.04156	1.4
118.06531	0.9
119.08575	4.6
121.06498	5.6
121.10130	3.8
123.08085	0.7
123.11716	0.7
128.06239	0.9
129.07010	3.2
130.04132	1.7
130.07770	2.6
131.04939	5.7
131.07574	0.9
131.08566	16.6
132.05679	0.7
133.06499	4.1
133.10130	9.9
135.04440	0.5
135.08055	4.7
135.11676	1.7
143.08525	2.1
144.05699	4.0
145.06491	12.4
145.07617	1.1
145.10124	20.7
147.08049	6.8
147.11711	1.7
148.05171	1.8
148.08617	0.6
149.05978	0.8
149.09613	8.0
149.13248	2.5
153.06961	0.6
155.06021	1.1
155.08572	3.1
157.06453	0.7
158.07274	11.8
158.10921	1.1
161.09615	1.3
163.07547	2.5
163.11172	3.4
173.09624	55.2
173.13164	4.6
174.09982	1.6
176.04710	1.7
176.08290	0.6
191.06841	3.8
191.10667	100.0
191.14259	10.4
191.17967	1.3
192.11127	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
50.27445	0.3
53.03940	0.5
55.01860	1.1
55.05507	4.3
57.03427	0.3
62.79539	0.3
65.03954	0.5
67.05504	1.8
69.03439	0.8
69.07056	0.7
69.81503	1.6
77.03881	0.5
78.94118	0.3
79.05498	2.8
81.03417	0.7
81.07058	1.7
83.04976	1.1
83.08607	1.2
91.05474	7.1
93.07040	2.1
95.01277	0.4
95.04943	1.8
95.08570	0.9
97.06503	0.7
98.97582	3.7
102.04642	0.5
103.05464	7.5
105.03328	0.4
105.07025	6.4
107.04949	13.5
107.08600	2.1
109.05798	0.5
109.06516	6.6
109.10137	1.1
111.04441	0.4
113.92822	0.3
115.05430	1.6
116.06227	0.8
116.98633	2.3
117.07015	8.6
118.04144	1.3
119.04952	0.9
119.08549	2.1
120.05727	0.3
121.06487	3.6
121.10145	1.3
123.08113	0.6
128.06227	1.7
129.06993	1.8
130.04109	1.1
130.07748	2.0
131.04918	6.7
131.05853	0.7
131.08568	5.8
132.05708	1.5
133.02852	1.0
133.06482	3.2
133.10129	4.1
134.99628	1.3
135.04382	0.5
135.08043	2.2
135.11665	0.8
136.06158	0.3
143.08531	2.4
144.05704	2.9
145.06479	16.4
145.07646	0.8
145.10120	12.8
146.07161	1.0
147.08051	1.9
147.10603	0.4
147.11696	0.9
147.62727	0.4
148.05197	2.8
149.05984	2.8
149.09573	2.0
149.13310	0.5
153.06979	0.6
155.06030	0.9
155.08591	2.1
158.07278	5.3
158.10928	0.5
158.99672	2.1
159.04491	0.4
159.08049	4.5
160.05705	0.8
160.08832	15.1
161.09610	12.1
163.07532	5.7
163.11172	2.3
169.06227	0.6
173.05983	0.7
173.09610	19.5
173.13234	1.5
174.09944	0.5
176.04681	0.8
176.50278	0.4
177.00688	2.8
191.07069	6.7
191.10660	100.0
191.14203	4.5
192.11072	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
53.03935	1.1
54.65757	0.2
55.01865	1.4
55.05513	2.1
56.96554	0.8
57.03435	0.4
57.07048	0.4
59.05001	0.4
65.03927	0.4
67.05506	3.6
69.03428	2.2
69.07072	2.0
71.01343	0.8
71.04984	1.0
77.03950	0.3
79.05486	6.6
81.03394	0.9
81.07059	4.8
83.04994	1.5
83.08600	0.5
85.06565	0.3
90.04633	0.3
91.05475	9.4
93.06471	0.5
93.07042	9.7
95.01307	0.4
95.04967	2.6
95.08604	3.5
97.02876	2.8
97.06512	0.9
97.10178	0.4
102.04639	0.2
103.05473	2.4
105.07028	13.1
107.04952	6.6
107.08592	10.0
109.06514	2.2
109.10155	2.8
111.04440	1.0
115.05451	1.8
116.06224	0.7
117.07017	7.5
118.04150	0.7
119.04940	0.6
119.08582	4.3
120.05750	0.4
121.06504	5.3
121.10141	6.1
123.04426	0.4
123.08048	1.1
123.11670	0.4
128.06221	1.3
129.07007	2.2
130.04114	0.3
130.07784	4.5
131.04921	2.0
131.08574	4.4
133.06473	1.1
133.07397	0.4
133.10123	4.3
134.07266	0.3
134.65395	0.3
135.04424	0.5
135.08058	10.8
135.11688	4.4
143.08582	1.4
143.09547	0.3
144.09361	0.3
145.06494	2.3
145.10118	13.5
146.06079	0.6
146.10472	0.3
147.04417	1.0
147.08099	1.9
147.11722	1.4
148.05188	1.3
148.08850	0.6
149.05978	0.8
149.09604	3.1
149.13275	1.6
155.08551	0.6
158.07266	1.1
158.10872	0.5
161.05962	1.2
161.09601	0.8
162.06700	0.6
162.10394	0.3
163.07530	2.0
163.11171	6.4
163.14825	0.6
173.09608	2.7
173.13229	2.6
173.47473	0.3
175.07460	0.5
176.04645	1.1
176.08336	2.7
177.07870	0.4
191.07127	3.6
191.10666	100.0
191.14252	9.2
191.17876	2.8
192.06718	0.4
192.11086	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
53.03932	1.0
55.01854	1.3
55.05508	2.3
55.43409	0.3
56.93757	0.3
56.96561	0.8
57.03451	0.4
57.07066	0.5
58.16259	0.4
65.03927	0.4
67.05501	4.6
69.03419	2.1
69.07056	2.4
70.38231	1.3
71.01337	0.6
71.04964	1.2
75.10899	0.3
79.05064	0.7
79.05487	7.6
81.03397	0.9
81.07047	5.4
82.81323	0.3
83.04977	2.0
83.08603	1.1
91.05472	9.6
93.06467	0.6
93.07039	11.2
95.04963	3.0
95.08596	4.4
97.02874	3.1
97.06499	0.7
103.05458	3.0
105.07029	13.6
107.04949	7.2
107.08589	10.9
109.06485	2.7
109.10140	2.8
111.04424	1.1
111.08086	0.3
115.05458	2.2
116.06257	0.6
117.07015	8.1
118.04154	1.3
118.06517	0.3
119.04923	0.5
119.08588	4.5
119.75335	0.3
121.02892	0.4
121.06508	4.9
121.10134	5.9
123.08059	1.4
123.11664	0.5
128.06209	0.8
129.06992	2.3
130.04150	0.6
130.07779	4.7
131.04910	2.5
131.08551	5.3
132.05724	0.4
133.06479	1.1
133.10118	4.2
134.07268	0.5
135.04379	0.6
135.08041	11.2
135.11664	4.7
141.06912	0.4
143.08540	1.2
144.09293	0.4
145.06522	2.1
145.10118	14.2
146.05992	0.6
146.08464	0.3
147.04382	1.1
147.08112	1.6
147.11670	1.2
148.05176	1.3
148.08797	0.7
149.05939	1.3
149.09625	3.3
149.13245	1.5
155.08484	0.7
158.07269	1.0
158.10910	0.4
161.06004	0.8
161.09598	1.2
162.06755	0.6
163.03894	0.4
163.07552	1.9
163.11159	7.1
163.14786	0.6
163.40668	0.3
165.51254	0.4
173.09589	3.1
173.13254	3.7
175.07480	0.4
176.04678	0.8
176.08302	2.8
177.07777	0.5
191.03384	1.2
191.07080	3.9
191.10658	100.0
191.14258	11.1
191.17891	3.9
192.06494	0.7
192.11172	2.5
210.85405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03941	1.6
55.01864	2.8
55.05503	2.0
57.03419	1.2
65.03922	0.9
67.05512	6.9
69.03439	1.6
69.07067	1.1
69.51357	2.4
69.51782	3.6
71.04993	2.3
72.14634	0.7
79.05066	1.0
79.05499	16.2
81.07051	3.6
83.04968	3.8
86.09665	1.0
91.05482	27.7
93.07052	9.3
95.04963	4.5
95.08576	1.9
98.20690	0.8
102.04711	0.8
103.05468	3.6
104.95464	0.8
105.07032	18.1
107.04952	8.2
107.08599	9.6
109.06525	3.5
115.05466	2.5
116.06239	2.9
117.07022	14.6
118.04165	1.6
119.08585	12.4
121.06499	8.3
121.10146	5.4
123.08070	1.1
128.06223	1.6
129.07024	10.9
130.04140	1.0
130.07817	5.6
131.04929	2.3
131.08572	100.0
132.05693	0.8
132.08946	1.7
133.06435	1.6
133.10120	5.3
135.04434	1.9
135.08075	6.1
135.11656	2.4
143.08551	2.4
144.05629	1.2
145.06474	6.5
145.10127	49.6
146.10442	0.8
147.08043	12.7
147.11674	1.0
148.05269	1.2
149.05963	2.6
149.09612	18.2
149.13194	1.0
153.07104	0.9
155.08543	5.1
158.07315	5.0
163.07571	12.4
163.11179	6.6
173.09625	35.8
173.13309	2.6
174.10042	0.9
177.35800	0.8
191.07056	3.0
191.10675	90.3
191.14232	5.8
192.11023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03934	1.4
53.40473	0.5
55.01854	1.2
55.05259	0.8
55.05509	12.5
56.64196	0.5
57.07071	3.7
59.53522	0.5
65.03925	0.8
67.05169	0.9
67.05503	11.6
69.03419	1.5
69.06715	0.9
69.07068	11.8
69.46448	0.6
71.05011	0.8
71.57997	0.8
72.20172	0.5
79.05493	10.1
81.03429	0.9
81.07056	17.1
83.04981	1.0
83.08135	0.8
83.08618	10.8
91.05474	17.9
92.05805	0.6
93.07040	32.2
94.07837	0.8
95.05000	2.6
95.08605	36.3
96.08911	0.6
96.23626	0.5
97.02867	0.6
97.10172	10.4
99.04455	0.6
103.05463	2.4
103.74820	0.4
105.07027	45.5
107.04935	2.7
107.08588	35.4
109.06467	1.3
109.10155	37.4
111.11712	1.0
115.05457	1.7
116.06232	1.3
117.07011	12.6
119.08569	13.9
121.06487	2.0
121.10138	45.6
123.08056	1.3
123.11701	4.0
128.06235	1.7
129.07001	4.2
130.07776	8.1
131.04881	3.0
131.07579	1.1
131.08562	23.4
133.06479	0.9
133.10133	4.7
135.04399	1.7
135.08047	2.1
135.11685	47.7
136.12088	0.6
143.08556	4.0
144.05669	0.8
145.06436	2.6
145.10123	44.2
146.10486	1.1
147.08031	1.1
147.11679	19.1
148.12114	0.5
149.05989	1.8
149.09595	2.7
149.13254	11.6
155.08571	1.7
158.07245	1.3
163.07553	0.6
163.11198	4.1
163.14813	2.9
171.74701	0.5
173.09619	100.0
173.13194	2.9
174.09961	2.7
176.15233	0.8
177.07767	1.1
191.07024	1.3
191.10669	33.7
191.14323	9.0
191.17949	56.7
192.06512	0.8
192.10294	1.7
192.18246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
51.02382	1.1
53.03930	1.7
55.01865	1.9
55.05305	0.8
55.05510	9.7
56.96562	1.9
57.07062	3.2
65.03921	1.3
67.05508	10.2
69.03423	6.0
69.07066	11.5
69.76797	4.0
69.77200	1.1
71.04971	2.1
75.96911	0.8
79.05489	14.2
81.03401	1.1
81.07063	16.9
83.04971	3.6
83.08625	6.4
91.05470	22.1
93.07045	29.7
94.07832	2.1
95.01313	1.1
95.04972	6.4
95.08607	26.2
97.06531	2.4
97.10159	3.8
98.21564	1.4
100.02459	1.7
103.05438	5.5
105.07028	50.7
106.07327	1.0
107.04951	2.8
107.08596	29.3
109.06496	2.7
109.10158	16.4
111.04440	1.2
115.05419	2.7
116.06223	1.7
117.07014	17.5
117.38738	1.3
119.08580	16.2
121.06534	4.6
121.10139	31.0
121.11027	1.6
123.04462	0.9
123.08033	2.8
123.11691	3.4
128.06192	1.9
129.07027	4.3
130.07776	9.3
131.04918	5.0
131.08568	28.0
133.06442	1.4
133.10129	10.3
135.04407	2.8
135.08049	8.1
135.10680	1.6
135.11687	27.5
143.08533	5.7
145.06516	4.3
145.10118	44.7
146.06003	1.8
146.10455	1.4
147.08037	1.5
147.11685	18.9
148.05197	1.3
149.05975	4.4
149.09592	6.4
149.13264	7.4
155.08519	2.6
158.07265	2.7
161.06052	1.0
163.07503	1.9
163.11182	14.5
163.14905	1.8
168.60507	2.2
173.09622	100.0
173.13165	6.7
174.09918	2.3
176.04666	2.0
177.07878	1.8
180.11230	1.0
191.03308	1.7
191.07030	6.0
191.10663	41.0
191.14308	26.2
191.17953	27.1
192.06601	1.2
192.10138	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	191.1067
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03931	1.8
54.46630	0.8
55.05514	12.4
55.45101	0.9
57.07047	2.9
65.03944	0.9
67.05228	1.0
67.05517	9.5
69.07069	13.1
72.56791	0.9
79.05494	10.1
81.07058	20.5
83.08633	9.2
86.79871	1.0
91.05491	15.4
91.99850	1.0
93.06475	1.6
93.07049	29.3
95.04986	2.2
95.08614	31.4
97.10174	10.6
98.20692	2.3
103.05484	1.3
105.07038	38.9
107.08598	36.7
109.06503	1.8
109.09471	1.9
109.10165	31.2
111.82625	0.9
114.82217	0.9
115.05457	1.7
117.07022	11.3
119.07816	1.0
119.08599	13.9
121.06549	1.9
121.10146	43.4
123.08053	1.5
123.11681	4.7
128.06183	1.1
129.06995	2.7
129.60799	0.8
130.07816	8.4
131.04964	2.8
131.08574	21.2
133.06473	1.2
133.10132	3.5
135.04451	1.8
135.08064	1.6
135.11694	42.8
143.08569	3.1
144.05818	1.0
145.06485	2.6
145.10133	40.5
147.11696	18.9
149.05965	2.3
149.09618	1.5
149.13261	13.5
153.75273	1.1
155.08563	1.5
158.07298	2.3
163.11218	2.6
163.14799	2.4
173.09636	100.0
174.09949	3.3
191.10675	29.0
191.14331	5.2
191.17957	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03942	1.3
55.01876	1.8
55.05513	8.7
57.07064	3.1
58.34793	0.9
67.05506	8.8
69.03423	2.9
69.07072	9.2
70.61571	2.8
71.04986	1.5
73.26147	0.8
74.09696	0.8
79.05494	10.0
81.03428	1.2
81.07055	12.0
83.04980	2.2
83.08617	6.1
86.40350	1.0
91.05479	19.1
93.07039	24.9
95.04961	3.6
95.08601	18.5
97.06509	1.5
97.10175	4.4
100.02502	2.2
102.18908	1.0
103.05460	1.8
105.07029	47.4
107.04950	2.2
107.08593	27.1
109.06484	3.0
109.10157	18.2
115.05436	1.4
116.06232	1.7
117.07015	13.2
118.03479	1.7
119.08568	11.6
121.06516	3.0
121.10139	25.6
123.08085	3.5
123.11706	4.4
128.06258	1.5
129.07007	4.4
130.07788	8.4
131.04895	3.8
131.08568	26.8
133.06482	1.7
133.10152	10.5
135.04388	2.6
135.08035	7.8
135.11694	23.7
143.08575	4.3
143.14305	1.1
145.03465	18.1
145.06482	2.7
145.10127	40.1
147.11685	17.8
149.05991	3.0
149.09590	4.2
149.13274	7.8
150.02800	1.6
155.08540	2.0
158.07275	2.5
158.10863	1.7
163.04532	19.8
163.11218	4.9
163.14822	2.0
168.05069	25.4
169.05342	1.0
173.09625	100.0
173.13202	9.4
174.09999	2.0
186.06123	15.9
187.06294	1.0
191.03294	1.7
191.06824	9.9
191.08908	2.2
191.10670	30.3
191.14316	24.6
191.17947	24.9
192.06581	1.9
192.10213	3.6
209.07768	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03936	0.8
55.05510	11.3
57.07082	3.0
65.03927	0.7
65.52956	0.4
67.05171	0.6
67.05503	8.2
67.18821	0.4
69.03407	1.2
69.07069	12.5
70.03590	0.4
70.36550	2.0
71.04990	0.6
73.94341	0.4
77.03913	0.5
79.05061	0.8
79.05495	10.2
81.03416	0.7
81.07058	16.3
83.04987	1.0
83.08145	0.6
83.08619	9.7
91.05480	17.4
93.07046	27.7
94.07813	1.1
95.04948	1.6
95.08609	28.3
97.02867	0.8
97.10168	9.5
98.20868	0.5
103.05447	1.8
105.07034	44.0
107.04950	1.2
107.08596	30.8
109.06507	1.9
109.10160	28.7
109.10734	0.4
109.10927	1.0
109.11289	0.5
111.04427	0.9
111.11726	0.8
112.69180	0.4
115.05467	2.3
116.06221	1.9
117.07015	11.0
119.08574	12.2
121.06520	1.4
121.10146	39.4
123.08080	0.8
123.11685	4.1
128.06206	1.9
129.06996	3.3
130.07797	7.9
130.08727	0.6
131.04909	3.0
131.08575	20.9
133.10143	3.1
135.04417	1.2
135.08058	1.8
135.11693	41.2
143.08540	4.0
145.06493	2.4
145.10124	40.0
146.10471	0.7
147.08015	0.9
147.11687	18.1
149.05989	2.9
149.09641	1.7
149.13264	9.6
155.08548	1.7
158.07278	1.5
161.08224	0.4
163.11229	4.7
163.14879	1.4
170.07570	0.5
173.09624	100.0
173.13205	2.0
174.09944	1.9
186.95448	0.5
191.07030	0.9
191.10678	29.3
191.14325	7.3
191.17955	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03942	1.3
55.01866	1.9
55.05513	10.7
57.07077	2.1
67.05499	12.3
69.03420	1.9
69.07074	10.7
70.15110	4.4
71.04980	3.8
79.05489	14.7
81.07052	13.2
83.04984	2.5
83.08598	6.2
91.05484	21.1
93.07047	27.4
94.07816	1.4
95.01328	1.4
95.04965	3.2
95.08604	24.2
97.02911	2.1
97.10157	4.0
98.20825	1.7
103.05447	3.3
105.07027	47.4
107.04929	3.1
107.07868	1.8
107.08591	30.2
109.06502	4.0
109.10156	18.4
115.05444	4.9
117.06996	15.0
118.04164	1.6
119.08578	18.0
121.06483	5.3
121.10144	33.5
123.08027	4.8
123.11690	3.1
128.06227	2.0
129.06989	3.6
130.07813	9.3
131.04909	3.9
131.08560	31.3
131.81436	1.3
132.05742	1.4
133.10138	8.5
135.08049	5.0
135.11685	23.8
143.08524	4.7
145.06454	2.8
145.10126	44.2
147.08047	4.4
147.11690	18.5
149.02356	2.2
149.05951	3.8
149.09624	6.3
149.13235	9.7
150.02695	2.9
155.08505	1.7
158.07243	2.7
158.10939	2.5
163.07527	2.7
163.11192	6.5
173.09622	100.0
173.13171	12.9
174.09967	1.8
176.04668	1.8
177.07869	3.2
189.72267	1.5
191.03389	5.0
191.06996	5.2
191.08971	2.1
191.10654	42.5
191.14301	32.2
191.17957	29.5
192.06544	3.0
192.10164	7.3
198.86060	1.4
208.10435	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03942	1.3
55.01881	1.0
55.05507	10.8
57.07071	2.3
65.03950	0.7
67.05507	9.6
69.03437	1.7
69.07064	11.9
71.04988	1.6
71.57767	0.7
74.55199	0.5
77.03917	1.2
79.05489	10.3
79.05907	0.9
81.03413	0.6
81.07051	11.6
83.04980	1.4
83.08620	7.3
91.05479	18.5
93.07041	27.4
94.07819	1.0
95.01329	0.5
95.04973	2.3
95.07989	1.4
95.08604	28.1
97.02921	0.7
97.06449	0.5
97.10162	6.4
103.05473	2.3
105.07027	42.5
106.07333	0.6
107.04942	1.5
107.08594	25.3
107.71439	0.6
109.06533	1.2
109.10154	21.0
111.04486	0.6
115.05448	2.2
116.06245	1.0
117.07019	12.5
119.08575	12.5
121.06535	1.6
121.10139	32.9
123.08045	1.9
123.11706	3.7
127.05413	0.6
128.06206	1.7
129.07014	3.3
130.07776	9.3
131.04953	3.1
131.07579	1.2
131.08560	24.7
132.08922	0.6
133.06497	0.7
133.10123	3.9
135.04390	1.9
135.08072	1.8
135.11691	27.6
143.08566	3.5
144.05690	0.8
144.09349	0.7
145.06471	2.7
145.10118	39.1
146.10429	1.0
147.08073	1.1
147.11687	16.0
149.05963	2.2
149.09636	2.5
149.13255	9.0
155.08557	2.3
158.07289	3.1
158.10870	0.8
163.11205	4.4
163.14815	1.1
173.09618	100.0
173.13066	3.9
174.09933	2.2
177.07791	1.1
191.03371	0.7
191.07014	2.0
191.09184	0.7
191.10664	27.3
191.14323	10.8
191.17937	37.3
192.06638	0.7
192.10281	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
50.52810	0.5
51.02391	0.5
53.03937	1.3
55.05508	17.7
57.07071	4.5
65.03932	1.2
67.05502	16.2
69.03426	1.4
69.07065	19.5
71.04994	1.0
71.08629	0.6
71.09843	1.4
74.09678	0.6
77.03920	0.7
79.05488	13.1
81.03431	0.9
81.07054	25.2
83.04980	1.2
83.08620	13.0
91.05476	20.2
92.05804	0.5
92.31315	0.5
93.07041	42.7
94.07817	1.3
95.01267	0.5
95.04972	3.1
95.08603	40.5
97.02902	0.9
97.10164	12.2
99.04453	0.6
103.05456	3.1
105.07027	47.2
106.07339	0.7
107.04980	2.7
107.08589	45.9
109.06511	2.1
109.10152	45.2
111.04416	0.9
111.11716	0.9
115.05444	2.2
116.06230	1.2
117.07013	12.8
119.08578	13.9
121.06527	1.6
121.10138	57.1
123.08065	1.3
123.11694	7.4
128.06197	1.3
129.06995	3.4
130.07779	9.0
131.04916	3.6
131.08566	22.2
133.06483	1.0
133.10136	4.1
135.04424	1.1
135.08078	2.2
135.11688	57.2
136.12080	0.6
143.08565	4.0
145.03439	0.9
145.06497	2.8
145.10118	42.8
146.10498	0.9
147.08037	1.5
147.11687	18.6
148.12048	0.7
149.05952	2.7
149.09612	3.2
149.13261	14.0
155.08542	1.4
158.07283	2.1
158.10892	0.7
160.77115	0.5
163.04500	1.1
163.07565	1.0
163.11179	4.5
163.14832	2.3
168.05028	1.3
173.09616	100.0
173.13245	3.2
174.09909	2.8
177.07899	1.1
178.32469	0.6
191.03305	0.7
191.06976	1.8
191.09111	0.6
191.10667	33.2
191.14317	11.3
191.17937	65.7
192.06519	0.7
192.10080	2.9
192.18266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.05488	1.6
57.91438	0.7
66.04711	3.6
67.05486	2.4
67.56201	0.9
69.03426	1.2
69.07043	2.5
71.56786	0.8
71.57195	1.2
71.60115	0.8
78.04697	1.7
79.05492	5.5
81.07037	3.6
83.04947	1.2
83.08616	0.9
84.98022	0.7
90.04688	3.9
91.05486	7.9
93.07030	6.3
95.04948	2.5
95.08609	6.2
97.06512	1.0
102.04686	20.1
103.05464	56.1
103.52937	0.7
105.03382	2.6
105.07032	9.7
105.49890	0.9
107.04950	2.9
107.08599	9.7
109.06508	1.9
109.10136	4.1
115.05437	5.2
117.03381	1.0
117.07029	7.7
118.04160	56.4
119.05013	4.4
119.08554	4.0
120.05686	2.7
121.06466	2.0
121.10147	7.0
123.08061	1.0
123.11743	1.0
130.04141	48.2
130.07713	0.9
131.04926	57.2
131.08582	5.4
132.05701	0.9
133.02840	8.3
133.06473	2.5
133.10112	5.5
135.08058	4.9
135.11678	4.3
145.06451	5.0
145.10130	5.0
146.03619	10.3
147.04410	13.7
147.11661	3.0
148.05193	20.3
149.09589	2.4
149.13271	1.5
158.03596	4.3
158.10910	1.2
161.02344	1.8
161.06001	1.5
162.06744	0.9
163.07530	9.0
163.11177	2.0
163.14763	1.2
173.05994	12.7
173.09651	3.2
173.13281	6.7
176.04683	66.1
191.03397	2.2
191.07022	100.0
191.10651	7.0
191.14285	15.5
191.17970	5.3
192.07333	2.2
198.35617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0703
Annotation	Oospolactone
Peak:m/z	Relative Intensity
50.38662	1.1
51.02111	0.9
51.02367	2.0
53.03948	2.7
55.01880	2.4
55.05497	4.1
56.96550	3.1
57.03428	3.0
57.07070	2.3
65.03918	1.3
66.04700	3.2
67.05504	8.0
68.99775	1.3
69.03429	7.0
69.07069	6.1
69.61252	1.0
69.76584	5.5
70.00023	1.1
71.04984	3.6
73.02892	1.2
77.03911	1.8
79.05491	15.5
81.03403	2.5
81.07052	10.4
83.04959	4.7
83.08617	2.1
85.06543	2.0
86.12613	1.1
89.03900	1.7
90.04674	1.7
91.05479	29.7
92.06278	1.3
93.07034	13.5
95.01303	4.0
95.04958	10.9
95.08617	11.8
97.02877	2.3
97.06506	2.5
97.10160	1.2
98.97571	1.2
99.04432	2.0
102.04675	7.3
103.05468	89.7
105.03405	8.7
105.04477	1.6
105.07034	30.5
107.04948	10.3
107.06058	1.1
107.08590	18.8
109.02846	1.5
109.06496	6.7
109.07642	1.4
109.10166	6.9
115.05457	7.8
116.06264	1.5
116.98608	1.1
117.07008	14.2
118.04169	34.1
118.06533	16.2
119.04979	8.0
119.08575	12.7
120.05750	5.2
121.06519	8.5
121.10139	12.2
123.04439	1.6
123.08038	4.1
123.11671	3.3
125.02355	1.9
129.06996	3.0
130.04152	12.9
130.07751	4.0
131.04930	75.2
131.08571	33.6
132.05748	5.4
133.02846	19.0
133.06523	6.9
133.10135	23.0
134.99605	1.3
135.04384	1.9
135.08052	20.7
135.11688	7.0
136.06133	1.4
137.09637	1.6
143.08505	3.5
145.06529	9.2
145.07559	1.7
145.10123	24.7
146.03644	9.1
146.05968	3.8
147.04382	3.9
147.08005	3.9
147.11674	6.9
148.05186	55.9
149.01201	1.5
149.05986	3.0
149.09610	11.0
149.13240	6.7
158.03566	1.6
158.10924	4.5
159.04344	1.8
161.05962	2.7
161.09581	1.6
162.06680	1.3
163.07542	81.3
163.11211	6.4
163.14787	4.1
164.07938	1.4
173.05937	9.6
173.07201	1.6
173.09590	9.3
173.13277	16.7
174.05511	3.3
176.04683	20.9
176.11940	1.6
191.03484	5.2
191.06993	100.0
191.10648	25.5
191.12669	2.3
191.14325	45.7
191.17912	4.5
192.72665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0703
Annotation	Oospolactone
Peak:m/z	Relative Intensity
53.03936	1.5
55.05503	4.6
57.07049	1.1
66.04708	3.5
67.05508	4.6
69.03423	1.6
69.07076	5.1
70.33646	2.2
70.34033	2.0
71.04971	1.6
78.04665	1.3
79.05499	7.8
79.37070	0.9
81.03429	1.5
81.07050	8.9
83.04942	1.6
83.08629	2.3
87.98238	0.9
89.03909	1.2
90.04695	3.9
91.05482	9.0
93.07049	8.6
95.04974	5.3
95.08602	9.6
97.10136	2.1
102.04687	20.3
103.05474	56.4
105.03378	2.5
105.07032	13.2
106.04151	0.9
107.04946	2.7
107.08582	11.1
109.02887	1.6
109.06532	4.5
109.10168	5.5
115.05460	6.1
117.03369	1.4
117.06995	6.7
118.04163	59.7
119.05005	4.3
119.08594	5.1
120.05727	2.8
121.06533	5.9
121.10152	12.7
123.08056	1.7
123.11697	2.4
130.04146	50.5
130.07774	2.0
131.04936	57.0
131.08583	7.4
132.05751	1.4
133.02867	6.8
133.06508	2.5
133.10172	7.1
135.08070	5.0
135.11694	9.9
143.08508	1.4
145.06491	5.4
145.10136	8.5
146.03629	11.5
147.04413	13.6
147.08038	2.2
147.11670	2.6
148.05197	18.3
149.09605	2.7
149.13264	2.5
155.04848	1.2
158.03609	5.1
159.04372	2.2
161.02382	1.0
161.05981	1.9
163.03885	1.1
163.07552	9.7
163.11194	3.3
163.14851	2.8
173.05972	12.9
173.09653	4.9
173.13217	7.4
176.04688	67.8
177.05066	1.8
191.03424	2.8
191.07027	100.0
191.10587	8.5
191.14294	23.7
191.17966	16.4
191.44312	1.1
192.07420	1.3
192.10115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	Oospolactone
Peak:m/z	Relative Intensity
55.01854	0.9
57.07347	0.8
61.17654	0.9
66.04713	3.9
67.05503	3.2
67.58152	0.8
68.99801	1.1
69.03411	1.7
69.07054	3.0
69.15438	0.8
69.70277	0.7
69.88850	0.8
70.26539	0.7
71.04993	1.6
79.05496	5.4
81.07042	3.4
83.04977	1.3
83.08624	0.9
89.03891	0.9
90.04691	3.8
91.05487	8.6
92.06271	0.9
92.51853	0.8
93.07047	6.6
95.04961	2.5
95.08624	5.3
97.06512	1.0
98.21519	1.5
102.04062	1.7
102.04688	21.6
103.05470	52.9
104.05836	1.1
105.03393	2.3
105.07024	9.8
107.04927	3.0
107.08608	8.0
109.06525	2.0
109.10135	3.4
113.87051	0.9
115.05474	5.3
117.03335	1.6
117.07030	6.3
118.04162	56.3
119.04970	4.3
119.08582	3.4
120.05720	3.6
120.31047	0.9
121.06476	2.4
121.10129	6.8
123.08083	1.7
123.11753	1.2
130.04152	50.9
131.04932	54.2
131.08551	5.6
133.02849	7.7
133.06493	1.6
133.10103	3.2
135.04420	1.2
135.08032	4.4
135.11639	4.5
145.06496	5.6
145.10124	5.4
146.03616	11.9
147.04428	10.6
147.11662	2.8
148.05205	17.9
149.09615	3.3
149.13249	2.6
158.03600	4.6
158.04733	0.9
160.67607	1.0
161.02338	1.2
161.05986	1.3
163.07556	8.7
163.11174	2.3
163.14847	1.4
173.05986	12.1
173.09642	1.6
173.13283	4.7
176.04689	65.9
177.05115	1.4
179.07068	1.1
191.07028	100.0
191.14326	17.2
191.17963	6.9
192.07393	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0704
Annotation	Oospolactone
Peak:m/z	Relative Intensity
51.02402	0.9
53.03932	1.2
54.03865	0.8
55.01864	1.2
55.05510	3.9
56.96558	1.3
57.07067	1.2
58.97895	0.9
65.03921	1.4
65.59956	0.7
66.04736	3.7
67.05509	7.8
69.03423	2.6
69.07076	4.4
70.19387	3.1
71.05000	6.8
78.97373	0.8
79.05494	8.3
81.07053	7.7
83.04984	2.3
83.08618	1.8
85.06534	2.2
90.04691	3.6
91.05486	11.3
92.06274	0.9
92.23162	0.8
93.03441	0.9
93.07046	11.0
95.04964	5.8
95.08613	7.8
97.06519	2.2
102.04687	20.5
103.05472	52.3
103.32307	0.8
104.05799	1.0
105.03404	2.3
105.07029	17.9
107.04924	2.4
107.08593	17.6
109.06522	10.9
109.10162	17.3
111.08121	0.8
113.64452	0.8
115.05444	6.6
117.03406	1.1
117.07031	11.3
118.04160	58.9
119.04930	2.9
119.08567	6.7
120.05709	2.7
121.06535	4.3
121.10137	15.4
123.08067	5.3
123.11675	2.0
129.06985	2.2
130.04153	48.5
130.07771	1.0
131.04936	51.3
131.08560	12.9
132.05664	0.9
133.02844	8.3
133.06474	1.9
133.10114	13.3
135.04414	1.0
135.08058	16.4
135.11690	7.0
143.08534	1.6
145.06471	9.4
145.10106	8.6
146.03619	10.6
146.05995	1.3
147.04404	13.0
147.08035	1.6
147.11725	4.1
148.05200	18.9
149.05972	2.3
149.09589	5.5
149.13278	5.3
158.03641	4.9
158.10896	2.1
159.04413	1.7
161.02344	2.2
161.05971	1.1
163.03877	1.7
163.07555	9.0
163.11214	2.7
163.14789	1.0
166.74290	0.8
167.34496	0.8
173.05972	12.6
173.09615	3.2
173.13278	12.3
175.03899	1.1
176.04691	65.0
177.04962	1.1
191.03430	6.0
191.07028	100.0
191.10596	9.7
191.14316	35.7
191.15900	0.7
191.17928	7.2
192.07358	1.4
192.10295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
54.36833	3.4
55.01865	12.8
55.05522	4.4
56.05032	6.4
56.96565	100.0
57.03437	34.2
58.06592	4.8
60.08152	10.5
60.95844	5.6
61.02935	27.4
62.06074	5.1
65.26981	2.6
67.05505	5.3
69.03430	29.2
70.30257	12.0
71.01323	6.4
72.08131	3.1
73.02917	44.8
74.06097	18.3
74.97606	4.5
75.04457	2.9
79.05499	3.7
81.03415	13.8
81.07055	3.8
83.04974	7.1
83.61500	3.0
84.04512	9.4
84.96050	5.8
85.02904	50.5
85.06552	5.4
86.06069	7.3
86.06871	8.3
87.04465	7.5
88.02681	3.6
90.01530	4.2
91.05475	5.3
92.01279	4.3
93.06999	5.3
95.04963	4.3
96.01546	4.7
96.92617	6.2
97.02902	29.6
97.99167	3.1
98.01287	7.2
98.97585	65.0
99.02052	3.8
99.04445	7.5
100.02484	13.0
100.99157	5.1
101.00749	7.6
101.02387	4.0
102.02412	5.3
103.02396	3.0
103.03944	4.7
103.05463	3.4
104.01302	7.4
105.02110	4.6
105.07018	3.7
107.01804	6.1
107.08602	5.7
108.02413	3.8
109.02821	5.4
109.10147	4.1
110.01279	19.1
110.03932	3.1
110.97559	10.8
111.02193	3.1
111.02938	9.4
112.99176	5.2
113.01778	3.9
115.02394	3.5
116.07085	3.6
116.98628	69.9
117.02020	4.5
117.07053	3.4
118.03547	10.6
118.08653	7.3
119.00172	7.0
119.01839	47.4
120.06563	4.9
121.01629	5.1
121.02879	8.4
121.06514	2.8
121.10191	5.2
122.53719	3.0
123.02941	7.8
123.11693	5.2
126.02573	4.0
127.01539	4.2
127.02424	3.7
127.03941	7.0
128.02339	26.6
128.07121	5.1
128.98584	30.4
129.02843	3.9
130.52557	5.7
131.00172	19.5
131.01851	13.0
131.04984	2.8
131.08546	7.5
132.03441	4.1
133.01601	6.4
133.03450	8.1
133.10127	7.0
134.99669	52.5
135.08025	3.8
136.03882	5.2
137.02902	7.4
138.03502	3.7
140.02316	9.3
143.00148	4.6
143.01886	12.4
144.98013	3.7
144.99808	6.9
145.03465	41.0
145.04443	3.4
145.06421	4.1
145.10147	7.4
145.14175	9.2
146.02303	8.7
146.99658	36.6
148.02081	3.5
149.01216	98.5
149.02960	4.4
149.09602	3.9
152.02238	4.6
153.00697	11.7
155.02841	5.6
157.03473	3.6
158.01155	3.8
158.99710	16.0
161.01247	6.8
161.02945	18.8
162.99051	3.7
163.04532	12.5
165.00729	7.1
167.02289	52.1
168.01453	5.9
168.05080	25.0
168.53337	3.7
170.99626	9.3
171.04993	9.2
172.02806	6.3
173.01266	3.5
173.02943	10.1
173.09573	6.0
173.13252	7.9
174.07578	4.9
177.00742	23.6
185.02977	7.6
189.00726	24.2
189.06168	6.6
190.03947	4.7
191.02295	11.7
191.06955	8.7
191.14641	58.1
192.12273	17.8
201.00681	11.3
203.04080	3.6
209.03258	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	190.0499
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
55.05501	0.2
56.96565	1.7
59.06128	0.5
60.04522	0.3
69.03437	0.7
70.07410	0.2
70.55847	0.6
71.04987	0.3
72.93782	0.4
73.02927	0.3
75.05621	0.2
81.03442	0.3
81.07056	0.3
84.04485	0.2
85.02915	0.8
85.06530	0.2
89.03928	0.7
91.05492	0.3
97.02898	0.8
98.97578	0.7
105.07092	0.4
109.02930	0.2
109.06520	0.2
111.04444	0.7
116.04970	1.9
116.05709	0.3
116.98617	0.6
119.08602	0.2
121.02883	1.9
121.06570	0.2
127.03953	0.3
128.98622	0.2
130.06522	0.3
131.08598	0.3
133.10138	0.2
134.06033	0.8
134.99658	0.5
139.03914	0.9
142.06123	0.2
144.04439	0.3
146.99626	0.4
147.07974	0.2
147.96892	0.2
148.97424	0.3
149.01228	0.3
158.99677	0.2
161.01250	0.3
162.05505	100.0
163.05864	2.1
167.05556	0.2
169.01759	0.4
174.05397	0.2
177.00868	0.2
179.02762	0.2
185.01120	0.3
187.02773	0.4
190.04994	44.8
191.03520	0.3
191.05304	0.8
191.06920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35706	0.2
55.01871	0.6
56.96300	0.2
56.96569	4.2
57.03436	1.8
57.07080	2.6
58.06573	1.2
59.04983	0.3
59.07384	0.5
60.08168	20.3
61.02929	1.4
65.03933	0.3
67.05173	0.4
67.05508	5.7
68.05024	0.2
69.03431	1.6
69.07043	0.3
70.06593	0.5
71.01378	0.3
71.05007	1.2
71.47472	0.2
71.57959	0.6
72.08147	1.0
73.02917	1.5
73.08480	0.5
74.06080	0.5
81.03419	0.5
84.04490	0.4
84.08149	0.8
85.02927	2.1
85.06548	23.6
85.08462	0.7
86.06059	0.5
87.04467	0.4
95.04961	1.1
96.01576	0.3
97.02883	1.8
98.01290	0.4
98.97589	3.4
99.04416	0.4
100.07628	0.3
100.99165	0.5
101.00819	0.4
102.09189	2.4
103.02366	0.4
109.02871	0.4
110.01318	0.4
110.97562	0.5
112.99125	0.3
114.05536	0.6
114.09104	0.3
116.98624	2.6
118.02824	0.3
118.08674	0.3
119.01875	1.7
121.02892	0.7
127.03991	0.6
128.02307	1.1
128.98595	1.0
130.08693	0.3
131.00131	0.8
131.01819	0.5
131.07043	0.6
133.01544	0.3
134.99696	1.7
144.10199	0.8
144.13841	22.0
145.03432	0.7
145.14104	0.4
146.02293	0.7
146.99641	1.3
149.01237	3.2
158.99718	0.5
161.01321	0.4
161.02904	0.6
162.05573	0.4
162.99117	0.3
163.04573	0.4
167.02284	1.3
168.05099	0.4
170.99695	0.6
172.09619	0.3
177.00713	0.9
178.04919	1.3
185.02979	1.3
189.00713	1.0
189.55772	0.4
190.14394	100.0
191.07124	0.3
191.14738	1.5
201.00716	0.4
203.04050	0.7
208.20500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
53.83606	0.9
55.05510	7.8
57.07063	0.8
62.70893	0.8
65.03954	0.9
67.05164	1.1
67.05503	10.2
69.03411	1.2
69.07068	9.2
69.97883	4.8
73.83995	0.7
79.05497	9.4
81.07059	20.0
83.08622	3.3
84.04503	1.1
84.81694	0.8
85.02915	0.8
91.05482	27.9
93.07038	10.0
95.04978	1.7
95.08607	30.3
97.10141	0.9
103.05456	1.5
105.07030	43.1
107.08592	24.3
109.06537	1.3
109.10161	13.6
115.05420	2.0
117.07035	3.7
119.08578	59.2
121.10143	9.7
123.11620	1.0
128.06218	2.6
129.07011	1.7
130.07819	1.7
131.08571	7.1
133.06487	2.0
133.10133	83.5
134.10527	1.5
135.11714	0.8
135.18233	0.9
139.67465	0.9
142.98668	0.9
143.08563	8.2
145.10133	10.3
146.10872	2.7
147.08057	3.5
147.11685	36.4
149.02345	3.8
156.09378	4.7
159.11697	3.3
160.12466	2.7
161.05983	1.4
161.09616	3.8
161.13251	11.2
171.08081	3.4
171.11633	6.5
174.10342	1.0
174.13982	1.8
175.14787	0.9
189.05457	2.1
189.09088	9.9
189.12788	19.4
189.16388	100.0
190.08571	1.7
190.16722	2.7
206.61620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
52.04206	0.7
53.03944	0.8
54.93227	0.8
55.01859	1.1
55.05513	7.4
55.52542	0.7
56.96551	2.3
57.07074	1.2
65.03922	1.1
67.05505	6.6
67.10185	0.9
69.03429	5.0
69.07069	8.0
69.92162	4.8
79.05502	5.6
81.03419	1.0
81.07065	12.9
82.07413	0.9
83.08610	3.5
84.04490	1.4
85.02892	1.1
85.04826	1.0
87.09291	0.7
91.04970	1.7
91.05489	19.3
93.07037	8.6
93.37846	0.8
94.31824	0.9
95.04966	1.5
95.08613	30.5
103.05480	1.4
105.07034	49.4
107.04925	1.0
107.08601	19.8
109.06501	1.5
109.10165	6.0
111.04430	1.0
115.05443	3.4
117.07027	9.4
119.04853	0.8
119.08586	65.6
120.08923	1.3
121.02875	1.0
121.10145	8.0
124.04642	1.0
124.97633	1.7
128.06253	7.8
129.06999	6.0
130.07802	15.3
131.08601	7.0
133.05190	1.3
133.06500	2.4
133.10136	70.9
134.10443	1.2
135.55447	1.1
141.07011	1.1
142.98640	2.0
143.08565	16.8
144.09265	1.0
145.06514	1.9
145.10129	19.9
146.07224	4.0
146.10751	1.5
147.08029	5.6
147.11697	28.1
148.12370	1.2
149.02327	3.3
156.09344	4.7
159.08044	2.3
159.11659	3.3
160.12468	2.1
161.05956	2.2
161.09616	15.3
161.13293	12.4
171.08035	8.7
171.11664	7.4
174.06740	1.0
174.10413	2.0
174.13913	1.8
187.14880	1.1
189.05484	3.5
189.09116	75.7
189.12741	26.2
189.16386	100.0
190.09471	0.9
190.16747	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86924	0.5
55.05511	7.3
56.48560	0.6
57.07056	1.0
67.05506	5.6
69.03429	0.9
69.07069	8.9
70.75317	0.6
70.75665	2.0
74.17856	0.6
75.90186	0.6
77.08311	0.6
79.05479	2.8
79.05921	0.6
81.07063	9.4
83.08634	3.7
83.30010	0.6
91.05479	9.0
93.07060	5.5
95.08609	28.4
98.21440	0.7
103.05457	0.8
105.07034	23.4
107.08600	17.5
109.10162	4.8
117.07016	2.3
119.08587	55.2
120.08920	0.9
121.10176	6.4
128.06232	1.5
129.06990	1.1
130.07780	0.7
131.08534	4.6
133.10135	52.6
135.11691	0.7
143.08557	4.4
145.10129	8.7
146.10884	2.1
147.08043	2.3
147.11697	26.0
148.12419	0.7
149.02353	1.7
156.09465	1.5
159.11668	3.3
160.12448	1.8
161.09628	2.4
161.13268	7.3
162.94205	0.7
171.08087	1.4
171.11720	2.4
174.13974	1.9
175.11160	1.5
189.05420	0.9
189.09149	6.6
189.12830	8.6
189.16389	100.0
190.08513	0.7
190.16747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03943	0.7
55.01866	0.7
55.05510	6.9
57.03418	0.3
57.07087	1.2
65.03938	0.7
66.63645	0.2
67.05506	6.5
69.03427	2.7
69.07072	12.2
70.07382	0.3
71.60532	0.4
77.03923	0.5
79.05493	6.9
81.03411	0.4
81.07057	17.5
82.52171	0.2
82.59706	0.2
83.04987	1.6
83.08627	3.9
84.83707	0.2
91.05479	18.9
92.05801	0.5
93.07047	14.4
94.07339	0.3
95.04977	3.8
95.08607	28.3
97.06534	1.2
97.10168	0.5
103.05478	1.3
104.06200	0.3
105.03395	0.6
105.07031	48.3
106.07339	0.7
107.04958	1.6
107.08596	18.4
108.08929	0.4
109.06514	1.8
109.10155	4.6
115.05449	2.1
116.06261	0.5
117.06204	0.5
117.07020	7.7
118.07806	0.6
119.04930	2.1
119.08582	83.8
120.08868	1.2
121.06504	6.8
121.10143	9.2
123.08083	0.4
128.06224	10.3
129.07019	5.7
130.07796	3.9
131.04906	0.6
131.08574	9.7
132.05714	1.1
132.09300	0.3
133.06499	7.9
133.10130	67.5
134.10352	1.2
135.08069	0.8
135.11696	0.8
141.06989	1.6
142.07797	0.9
143.08557	23.1
144.09068	0.5
145.06474	3.4
145.10123	18.6
146.07265	2.6
146.10922	2.6
147.04379	0.5
147.08049	32.8
147.11690	38.1
148.08438	0.6
148.12099	0.4
149.02353	0.8
153.06985	0.3
155.06023	0.3
155.08484	0.4
156.09349	6.0
159.08063	3.0
159.11708	4.3
160.08829	2.8
160.12515	2.7
161.05978	0.6
161.09628	14.3
161.13263	19.4
162.13618	0.5
165.33287	0.2
171.08061	10.3
171.11700	9.3
172.08553	0.4
173.09618	0.4
174.06822	1.3
174.10432	3.8
174.13908	1.7
187.14819	0.7
189.05507	0.8
189.09134	28.0
189.12761	65.9
189.16379	100.0
190.04823	0.3
190.09441	0.8
190.13106	1.6
190.16684	1.6
207.10168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03935	1.0
55.05511	6.0
57.07063	1.7
60.13642	0.5
67.05511	4.3
69.03401	0.7
69.07072	8.6
69.62764	2.5
69.63168	1.1
77.03951	0.5
79.05486	4.6
81.07059	9.3
83.04995	0.6
83.08630	3.1
84.83446	0.5
91.05484	8.9
93.07045	20.6
94.07381	0.5
95.04978	1.7
95.08610	30.1
97.06529	0.5
97.10142	0.5
105.07033	26.4
107.08599	19.8
109.06500	1.1
109.10149	3.7
115.05419	0.5
117.07024	2.0
118.07809	0.7
119.08586	70.9
121.06526	0.9
121.10139	6.2
128.06233	1.1
129.06998	1.0
130.07787	0.5
131.08568	4.1
133.06552	1.0
133.10133	57.9
134.10497	0.9
135.11720	1.2
143.08591	1.6
145.06372	0.5
145.10121	6.3
146.10892	2.0
147.08032	5.3
147.11690	28.6
148.12308	0.4
156.09325	2.8
159.08067	1.1
159.11681	3.8
160.08861	1.2
160.12480	1.9
161.09618	3.9
161.11958	1.1
161.13266	14.7
171.11668	4.3
174.10486	1.1
174.13904	1.7
175.14893	1.4
189.12775	20.9
189.16386	100.0
190.16724	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90239	0.4
53.03942	0.6
55.05511	5.7
57.07050	1.1
62.40573	0.4
65.03897	0.5
67.05505	4.0
69.06730	0.6
69.07067	9.0
69.61850	0.9
69.62259	2.0
78.30849	0.4
79.05488	3.3
81.07052	8.1
83.08620	3.0
91.05476	9.3
93.07042	18.3
95.04948	1.2
95.08601	30.6
97.06515	0.8
97.10131	0.5
100.39506	0.3
103.05441	0.8
104.06274	0.4
105.07027	22.5
107.08591	21.6
109.06488	0.8
109.10143	3.2
115.05439	0.4
117.07004	2.0
119.08576	68.8
120.08872	0.9
121.06463	0.7
121.10143	5.1
128.06174	0.6
129.07025	0.5
130.07826	0.4
131.08595	3.2
132.09377	0.5
133.10126	55.0
134.10454	0.8
135.08080	0.5
135.11691	0.7
136.40198	0.4
143.08557	1.2
145.06519	0.5
145.10123	5.8
146.10945	1.7
147.08054	3.7
147.11685	26.8
148.12357	0.7
156.09343	2.0
159.08037	0.8
159.11703	3.8
160.08812	0.8
160.12541	2.1
161.09641	3.0
161.13254	13.7
171.11674	3.5
174.10434	1.6
174.14006	1.9
175.14815	1.3
187.14738	0.5
189.12772	20.7
189.16379	100.0
190.08632	0.4
190.16760	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05517	6.8
57.07074	1.8
60.04064	0.7
65.03934	1.3
67.05516	4.4
67.18990	0.8
67.67063	0.8
69.07061	9.6
70.18839	3.4
79.05492	4.1
81.06581	1.3
81.07053	23.1
83.05032	0.8
83.08603	5.0
91.05487	7.3
93.07060	7.1
95.08609	21.5
97.10154	0.9
105.07034	24.5
107.08591	20.5
109.10155	7.0
117.07046	1.3
119.08581	43.2
120.08820	0.8
121.02875	2.0
121.10146	9.7
131.08583	6.1
133.10129	54.8
143.08527	1.2
145.10117	7.4
146.10922	3.2
147.08044	1.2
147.11691	35.1
148.12077	1.1
149.02353	15.8
159.11691	2.7
160.12445	2.7
161.13277	7.4
171.11714	1.9
174.10312	1.0
174.13989	1.5
187.14781	0.9
189.09065	1.3
189.12816	6.4
189.16383	100.0
190.16711	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
52.29404	0.3
53.03922	0.6
55.05505	5.9
57.07047	0.8
65.03902	0.4
67.05503	5.1
69.03389	0.5
69.07066	8.2
71.46922	0.6
79.05484	2.8
81.07056	11.4
83.08620	3.1
91.05474	9.2
93.07033	4.0
95.04961	0.5
95.08604	21.4
97.10188	0.4
103.05441	0.7
105.07026	28.0
107.08588	11.9
109.06496	1.0
109.10159	4.1
115.05425	1.3
117.07005	3.0
118.07782	0.7
119.08576	48.5
120.08887	0.8
121.10129	7.5
128.06210	4.5
129.06998	2.0
130.07741	1.4
131.08566	5.1
132.09122	0.4
133.06509	1.2
133.10124	54.6
134.10620	0.7
135.11691	0.9
141.06938	0.5
143.08556	10.5
145.06560	0.4
145.10115	11.1
145.92557	0.4
146.10921	2.0
147.08034	3.6
147.11690	33.7
148.12338	0.4
156.09361	1.7
159.08066	0.7
159.11710	3.4
160.12518	2.5
161.09627	4.9
161.13257	9.7
171.08043	4.8
171.11652	2.7
174.10435	0.9
174.13835	2.7
187.14865	0.9
189.09117	7.2
189.12794	14.4
189.16377	100.0
190.16736	1.9
202.26210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.70475	0.8
55.05507	8.5
56.96557	1.3
57.07065	0.9
65.03905	0.9
67.05502	10.0
69.03420	2.9
69.07061	7.7
69.47186	8.6
79.05502	7.1
79.77856	0.8
81.07056	26.4
83.04951	1.1
83.08620	1.9
84.04504	1.1
91.05482	37.7
93.07047	12.0
95.08604	20.1
104.07932	1.0
105.07028	62.7
107.08595	18.6
109.06506	1.2
109.10158	19.0
115.05462	1.4
116.58526	0.9
117.07026	3.4
119.08585	39.4
121.10146	7.5
124.04619	1.0
124.97632	0.9
128.06149	1.3
131.08586	7.9
131.24951	0.9
133.10130	100.0
138.00446	0.9
142.98654	1.6
143.08571	4.4
145.10115	6.6
146.10884	3.0
147.08028	3.5
147.11690	26.3
149.02347	4.1
156.09303	1.8
159.11792	1.0
160.12549	1.8
161.05963	1.9
161.09625	3.5
161.13312	6.7
171.08093	0.9
171.11685	4.1
189.05460	2.7
189.09128	11.1
189.10629	1.4
189.12738	11.6
189.16383	77.4
190.04953	1.1
190.08591	1.2
190.16656	1.4
209.19482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03909	0.4
55.05511	5.9
55.36335	0.3
56.14058	0.3
57.07050	1.0
58.53643	0.4
59.79801	0.4
61.02940	0.4
67.05506	4.1
67.40179	0.3
69.03418	0.9
69.07071	10.3
69.42796	0.5
71.58492	0.4
76.01617	0.4
79.05490	3.9
81.07062	9.4
83.04964	0.4
83.08619	4.6
84.04475	0.5
91.04906	0.4
91.05479	10.5
93.07037	4.4
95.08608	22.0
100.74039	0.5
103.05455	1.1
105.07031	22.8
106.07339	0.5
107.08600	13.5
109.06501	0.5
109.10143	4.4
115.05463	0.9
117.07030	2.7
119.08582	49.4
120.08933	0.5
121.10139	6.7
127.62638	0.4
128.06242	2.9
129.07025	1.7
129.46819	0.4
130.07799	1.7
131.08566	3.8
133.10129	51.8
134.10455	0.4
134.10780	0.3
135.11681	1.0
141.06898	0.4
142.98674	0.6
143.08562	6.8
145.06505	0.6
145.10126	9.6
145.11267	0.7
146.10893	1.3
147.08098	1.6
147.11690	24.7
149.02359	1.0
156.09340	2.6
159.08124	0.6
159.11678	4.1
160.12488	2.0
161.06015	0.7
161.09633	2.7
161.13264	7.8
162.05458	0.5
171.08046	3.3
171.11716	4.2
172.08458	0.4
174.10422	1.2
174.13857	2.3
187.14806	0.9
189.05486	0.8
189.09114	6.7
189.12779	14.2
189.16380	100.0
190.05037	0.4
190.08687	0.5
190.16727	1.9
206.70047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03926	0.4
55.05508	5.3
57.07027	1.1
65.03930	0.4
67.05506	4.2
69.07064	10.5
70.47278	1.3
74.55524	0.3
77.11875	0.3
79.05491	3.4
81.07054	11.4
83.08224	0.4
83.08613	4.0
91.05474	9.6
93.06489	0.4
93.07033	4.8
95.04980	0.4
95.08603	22.3
96.08945	0.4
97.10159	0.6
103.05434	0.8
105.07026	26.6
107.07858	0.7
107.08588	12.5
109.06480	0.7
109.10152	3.7
115.05440	1.0
117.07017	3.7
119.08575	50.6
120.08854	0.7
121.06480	0.3
121.10140	7.3
128.06226	4.6
129.07014	2.7
130.07788	1.7
131.08569	5.6
132.09221	0.3
133.06500	0.9
133.10124	51.2
134.10460	0.6
135.11716	0.5
136.84460	0.4
141.06932	0.5
143.08559	12.0
143.97264	0.3
145.06499	0.8
145.10120	12.1
146.10895	1.6
147.08060	3.0
147.11685	31.4
148.12119	0.6
149.02260	0.4
155.06099	0.3
156.09358	2.2
159.07999	0.6
159.11681	3.6
160.08905	0.6
160.12494	2.6
161.06088	0.3
161.09636	3.6
161.13263	9.4
171.08058	5.1
171.11714	2.9
174.10464	1.1
174.13843	3.1
187.14856	0.5
189.09126	9.1
189.12813	14.3
189.16376	100.0
190.16745	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1599
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
55.00489	0.4
55.90628	0.4
56.05034	1.4
58.06622	0.4
60.08165	34.8
67.05511	1.5
67.13605	0.3
70.82898	1.1
70.83260	0.5
84.08144	100.0
84.70905	0.3
85.06542	0.7
85.41444	0.4
92.85470	0.3
93.66415	0.4
95.67484	0.4
130.08640	59.1
144.13853	3.0
154.06976	0.4
156.88567	0.9
188.91266	0.5
189.15984	41.9
190.16373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87333	0.4
51.23398	0.4
55.01887	0.5
55.05511	2.7
56.05031	1.7
56.96566	2.6
57.03437	1.0
57.04554	1.1
57.45689	0.4
58.06618	0.8
60.04519	0.4
60.08164	29.2
61.02932	0.7
64.63538	0.4
67.05505	2.7
69.03423	1.4
69.07082	0.6
69.84827	1.4
69.85246	1.1
70.06593	16.3
71.04992	0.8
72.08154	16.8
72.39922	0.4
73.02928	1.6
74.02448	0.5
74.07203	4.9
79.05509	0.4
84.04507	1.0
84.08143	100.0
85.02908	1.6
85.06538	1.7
85.08507	0.8
86.06078	0.5
86.09705	6.7
97.02895	2.3
98.97581	4.4
101.00903	0.4
102.02380	0.5
102.09180	0.5
106.96562	0.6
112.07590	1.1
112.08748	0.7
115.08699	1.0
116.07092	6.2
116.98613	4.5
117.02879	0.5
118.08649	4.6
119.01869	2.0
120.03433	0.6
124.03773	0.5
124.97644	0.6
126.05538	0.5
126.09170	1.6
128.02328	0.9
128.98596	0.8
129.10213	0.5
130.08638	48.3
131.01888	0.7
131.08961	0.8
132.06671	0.6
132.10196	1.3
133.03439	0.6
134.99672	3.4
137.02888	0.9
139.07539	0.4
143.01880	0.6
143.11804	2.4
144.11327	2.2
144.13843	3.5
145.01657	0.5
145.03348	0.5
146.99657	1.2
149.01225	0.5
149.02875	0.5
156.88632	0.5
158.09248	0.5
158.99606	0.6
161.02982	1.3
163.02734	0.7
165.00748	0.5
168.37396	0.4
172.09564	0.5
172.10838	1.0
173.02991	0.5
177.00682	0.9
177.03975	0.5
178.04846	1.0
185.02988	0.7
188.60994	0.5
189.13606	6.1
189.15984	28.2
190.14435	3.8
203.03983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.3
55.05515	10.9
55.33678	1.4
56.96577	2.4
57.03440	14.6
57.07059	5.1
58.22015	1.2
59.04991	4.3
59.67591	1.5
67.05508	12.4
68.99794	13.2
69.03424	2.9
69.07066	39.4
69.54025	12.3
71.04973	6.3
79.05488	10.9
81.07058	25.2
83.04961	2.4
83.08623	9.9
84.04503	3.5
85.02905	97.0
85.04836	2.2
85.06525	1.9
87.00838	19.2
91.05470	12.0
93.07047	36.4
95.04973	1.7
95.08608	34.0
97.06538	8.8
98.97526	2.2
103.03944	4.4
105.01877	2.9
105.07030	19.5
107.08589	40.5
109.06542	1.6
109.09444	2.8
109.10159	34.8
114.46371	1.3
115.05451	5.1
117.07010	3.0
119.08585	16.0
123.11742	8.9
124.04741	1.6
125.18114	1.6
128.06198	14.6
129.06979	4.6
131.04997	1.6
131.08553	7.6
133.06511	4.3
133.10129	17.8
135.11693	40.4
141.06915	1.6
143.04906	1.8
143.08565	14.2
145.06458	2.8
145.10117	3.9
147.08047	6.5
147.11681	10.7
149.02351	4.2
153.12738	18.6
156.09340	6.3
157.06519	3.7
159.08009	2.0
160.05276	2.8
161.05962	5.7
161.09578	7.7
161.13306	4.5
171.02963	3.6
171.08115	4.1
171.11658	9.3
171.13866	2.2
173.05988	6.1
174.06761	10.9
174.10347	1.7
187.07469	2.2
189.05420	6.6
189.09105	100.0
189.12724	25.7
189.16356	17.9
190.09358	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.6
57.03444	1.1
57.07070	2.2
59.04999	2.6
67.05505	7.6
69.07071	26.5
71.04974	2.5
71.59374	1.8
79.05499	7.6
81.06583	1.3
81.07057	15.7
83.04971	2.0
83.08629	5.3
84.08074	1.1
85.02905	11.8
85.06524	1.1
87.00797	1.9
88.74783	0.8
89.39893	0.9
91.05472	8.3
93.07050	22.4
95.04971	1.5
95.08614	20.3
97.06544	6.9
105.07024	9.7
107.08601	23.4
108.30905	1.0
109.10168	19.8
111.08090	1.3
115.05442	2.4
119.08588	6.4
121.06531	1.2
121.10123	1.2
123.10947	1.0
123.11703	6.5
128.06206	10.3
129.06996	3.4
131.08545	3.3
133.06512	1.4
133.10149	4.9
135.11693	27.7
137.13751	1.1
143.08577	12.7
145.10123	2.8
146.07217	1.2
147.08018	2.8
147.11678	2.2
151.95488	1.3
153.12715	11.5
156.09361	2.9
157.06500	2.4
160.05212	2.6
161.02827	1.0
161.05939	4.9
161.09660	3.9
161.13333	1.7
171.08145	2.6
171.11665	4.5
171.13776	2.0
173.05975	4.2
173.09747	0.9
174.06760	12.4
187.07603	1.2
189.05586	2.6
189.09122	100.0
189.12695	13.7
189.16353	5.3
190.09464	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87513	0.7
53.03940	0.8
55.01857	1.1
55.05490	2.5
56.96550	0.9
57.03437	1.4
57.07096	0.7
59.04970	0.9
59.25773	0.7
61.02918	0.7
65.03939	0.9
67.05487	2.1
68.99805	0.7
69.03434	4.4
69.07057	2.1
69.47498	1.5
69.47904	5.0
71.04977	2.8
79.05479	3.9
81.07055	3.2
84.08144	0.8
85.02904	5.0
85.06534	1.4
86.09717	1.7
88.34020	0.6
91.05482	9.2
93.07029	2.5
95.04948	1.0
95.08595	2.6
98.20800	0.7
98.97601	0.9
103.05478	0.8
105.07029	16.1
107.04958	1.7
107.08589	3.5
109.06503	0.8
109.07616	0.9
109.10151	2.2
114.18819	0.7
115.05441	2.0
117.07026	5.3
119.04918	0.9
119.07787	1.2
119.08588	18.2
121.06454	1.5
121.10152	1.2
128.06219	5.0
129.07001	4.5
130.07829	3.7
131.08583	7.9
133.06470	3.1
133.10141	8.6
134.99640	0.7
141.06979	7.7
142.07817	0.7
143.08562	9.2
144.09343	1.4
145.06497	2.3
145.10132	16.7
146.07208	1.0
146.10806	0.7
147.04391	1.6
147.08058	7.5
147.11685	14.7
148.08676	1.2
149.02275	1.1
149.09386	0.7
155.08572	2.8
156.09352	45.7
157.09737	0.9
159.08038	4.5
159.11700	13.3
160.08856	0.9
161.05948	2.4
161.09612	4.1
161.13249	2.5
171.04367	0.9
171.11693	61.0
172.12044	1.9
173.09489	0.9
174.06786	1.4
174.10419	6.8
178.06464	0.9
189.05444	2.8
189.09177	9.8
189.12741	100.0
189.16255	5.6
190.04974	1.9
190.08655	2.0
190.13060	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94548	0.8
62.85890	0.9
69.03424	2.9
71.00622	3.0
81.35995	0.8
86.09712	1.7
91.05487	3.0
97.49284	0.8
101.12314	0.8
105.07034	9.0
107.08621	1.2
115.05389	1.2
117.07011	2.2
119.08583	11.2
120.96796	0.8
127.09457	0.9
128.06178	1.7
129.07011	1.9
130.07787	2.8
131.03587	1.2
131.08571	4.9
133.06529	1.1
133.10120	2.5
141.06972	6.0
143.08591	5.1
145.10115	16.6
146.10818	1.3
147.08034	4.3
147.11670	9.2
155.08569	2.4
156.08055	2.3
156.09349	46.7
157.09695	1.2
159.08041	2.6
159.11682	12.5
161.09596	1.0
171.11703	60.7
172.12100	1.6
174.10416	6.4
189.12750	100.0
190.13071	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66843	1.0
55.01859	1.6
55.05508	5.3
57.03430	1.2
67.05485	4.0
69.03432	5.6
69.07050	4.6
71.60848	1.1
79.05498	2.9
81.07070	8.2
83.04981	2.2
83.08601	2.2
85.02901	5.5
85.04805	1.3
91.05476	15.2
92.05799	0.9
93.07033	4.9
95.04978	2.4
95.08614	13.1
97.06528	1.3
97.31288	1.2
97.75681	1.0
103.05489	1.6
105.07035	31.2
107.04928	2.8
107.08605	7.3
109.06504	1.4
109.10153	5.1
111.04494	1.2
115.05438	3.4
116.06213	1.6
117.07058	5.4
119.04991	1.4
119.08584	37.3
121.06493	3.0
121.10111	4.5
128.06232	8.1
129.07011	11.5
130.07820	2.5
131.04955	2.3
131.08560	21.6
132.05734	1.2
133.06509	4.9
133.10138	27.7
134.10664	1.1
135.08055	1.4
135.11650	1.2
135.41086	0.9
141.06985	5.6
143.08594	7.0
144.05638	1.9
145.06479	5.9
145.10144	16.4
146.07243	4.0
146.10925	1.4
147.04324	1.1
147.08046	11.3
147.10516	1.1
147.11687	27.9
148.05183	2.6
156.09354	33.0
157.06470	3.4
159.08067	7.0
159.11691	9.2
160.08856	3.1
161.05954	12.2
161.09625	17.7
161.13258	13.5
171.08072	11.2
171.11696	45.0
174.06819	5.2
174.10425	12.1
189.05496	3.5
189.07390	2.5
189.09123	49.4
189.12744	100.0
189.16362	31.2
190.08566	1.1
190.13083	2.4
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
55.05502	3.8
65.03899	1.3
67.05495	2.8
67.70358	1.2
69.03426	6.4
69.07062	5.0
79.05484	4.3
81.07046	7.9
83.04966	1.2
83.08604	2.4
85.04860	1.1
91.05475	8.5
93.07047	3.9
95.08607	10.7
98.20698	2.7
103.05434	1.3
105.07033	23.6
107.08607	7.2
109.10170	2.7
117.07033	3.1
119.08584	32.8
121.10139	3.4
128.06233	6.2
128.86937	1.3
129.07031	2.8
130.07777	3.3
131.08556	7.5
132.12773	1.1
133.02983	1.1
133.06532	1.3
133.10138	28.1
140.90906	1.2
141.06979	6.9
142.07794	2.1
143.08557	10.6
145.06419	1.6
145.10144	15.4
146.10864	1.7
147.08037	4.9
147.11697	23.1
149.02328	9.5
155.08592	2.1
156.09351	38.8
157.09708	1.8
159.08075	3.3
159.11703	13.4
161.09641	2.6
161.13249	5.3
171.08060	1.6
171.11691	49.6
174.10394	6.7
185.42020	1.3
189.05360	2.6
189.09155	8.8
189.12747	100.0
189.16371	41.6
190.08618	2.4
190.13158	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09722	0.5
50.43012	0.5
55.01854	0.7
55.05495	2.0
64.02962	0.5
67.05482	1.4
69.03431	4.3
69.07056	2.2
69.98798	2.4
79.05486	1.4
80.76207	0.6
81.07048	2.9
83.04973	1.1
85.02892	1.5
85.04790	0.6
91.05486	7.0
93.07021	2.0
95.04971	1.5
95.08613	3.5
97.06525	1.4
98.97581	0.6
103.05448	0.6
105.07033	15.1
107.05020	0.5
107.08588	3.2
109.10181	0.6
115.05454	1.8
117.07013	3.8
119.08585	19.6
121.10126	1.7
128.06218	3.0
129.07011	2.7
130.07831	4.3
131.08571	5.1
133.06511	3.3
133.10144	9.8
134.38213	0.6
141.06989	7.8
142.07744	0.9
143.08559	6.6
144.09286	2.1
145.06430	1.3
145.09041	1.2
145.10132	16.4
146.10867	0.8
147.08047	5.7
147.11690	12.0
148.08577	0.8
153.93715	0.5
155.08482	2.9
156.09354	47.2
157.06546	0.8
157.09749	1.4
159.08089	4.1
159.11699	13.2
160.05168	0.9
160.08835	1.6
161.05954	2.2
161.09587	3.6
161.13225	4.1
171.11694	65.2
172.12032	1.6
174.06776	1.5
174.10399	7.1
189.05435	2.4
189.09152	10.8
189.12747	100.0
189.16327	9.0
190.05016	0.6
190.08679	1.1
190.13113	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1233
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
52.15878	0.2
55.05497	0.6
56.05016	0.5
56.96568	3.0
57.01864	0.2
57.03435	0.4
57.07077	0.3
58.06592	0.3
60.04510	0.2
60.08166	2.2
61.02892	0.3
67.05503	0.4
69.03425	1.1
69.07069	1.6
70.00220	0.5
70.00641	0.9
70.06586	1.0
71.05016	0.3
72.08154	1.7
73.02928	0.5
79.05503	0.3
81.03416	0.5
83.04977	0.3
84.04494	0.6
84.08144	7.1
85.02885	0.8
85.04839	0.5
85.06525	0.3
85.07608	0.3
86.06071	0.4
86.09702	100.0
87.04501	0.3
87.09530	0.3
87.10024	1.3
91.05464	0.3
95.08614	0.4
97.02883	1.1
98.21414	0.3
98.97567	1.6
102.05595	0.2
105.07034	0.6
109.07680	0.3
110.97522	0.3
111.04469	0.3
115.05450	0.3
116.98640	1.2
119.01822	0.3
119.08549	0.8
123.37366	0.3
124.97633	0.4
126.05547	0.4
128.02318	0.5
130.08617	3.6
131.99718	0.4
132.10178	0.3
133.10121	0.3
134.99638	1.0
139.00314	0.3
143.08534	0.4
143.12642	0.6
144.13853	0.6
145.01614	0.3
145.10172	0.4
147.11731	0.5
154.03938	0.3
156.09337	0.4
161.04771	0.4
161.05986	0.3
161.09886	0.3
162.05492	1.3
163.02808	0.7
163.04311	0.2
166.00262	0.3
168.05537	0.4
171.11659	0.8
177.00734	0.5
177.04172	1.3
177.06015	1.1
189.05429	0.4
189.09227	0.9
189.12492	3.8
189.16066	1.6
190.05115	0.5
207.01822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1233
Annotation	19461-38-2
Peak:m/z	Relative Intensity
54.03477	0.6
55.01865	1.1
55.05507	1.0
56.05025	0.7
56.96558	1.7
58.06607	0.7
59.06099	0.4
60.05653	0.5
60.08162	0.5
61.02915	0.5
63.47387	0.4
67.05495	0.6
69.03432	2.0
69.07060	1.1
70.06590	2.7
71.04998	0.5
71.41393	0.7
71.86952	0.4
72.04517	0.5
72.08139	1.3
73.02940	0.5
75.05597	0.8
79.05503	1.0
81.07043	0.9
82.02946	1.4
83.04958	0.9
83.08617	0.5
84.04505	2.4
84.08138	3.7
85.02892	1.3
85.04843	1.3
86.06078	1.1
86.09707	100.0
87.04476	1.0
87.10003	0.9
88.04018	0.5
91.05475	0.9
93.07057	0.8
95.08593	0.7
97.04015	2.0
97.06520	0.4
98.97622	0.6
100.36103	0.5
101.06033	1.2
105.07043	2.6
107.04999	0.4
107.08610	0.9
111.04442	1.1
113.03499	0.9
114.05536	3.1
115.03904	0.6
115.05460	0.4
116.98628	0.5
119.08595	3.3
121.10136	0.4
125.03548	0.4
125.06025	0.5
128.06226	0.9
129.05487	1.8
129.06975	0.6
130.05009	0.6
130.08632	1.3
131.99683	0.6
132.10204	40.9
133.06445	0.6
133.10132	2.5
134.99680	0.7
143.04988	0.4
143.08624	1.6
143.11801	24.7
145.06468	0.5
145.10176	1.2
147.08076	0.6
147.11700	1.2
148.08743	0.4
156.09357	1.6
157.06094	2.1
161.05971	1.3
161.09653	1.3
161.13206	0.8
162.05478	0.4
162.10217	0.5
171.11684	2.2
189.09042	2.8
189.12563	4.5
189.16347	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	Butylidenephthalide
Peak:m/z	Relative Intensity
51.05877	0.5
55.01865	1.6
55.05507	2.5
56.96551	1.1
59.47487	0.6
65.03931	0.5
67.05508	2.2
69.03078	0.9
69.03435	15.3
69.07060	2.0
71.33266	0.8
79.05499	3.4
81.03429	0.8
81.07081	2.9
83.04973	2.6
83.08627	0.8
84.04504	0.7
85.02922	1.0
85.04865	0.9
91.05484	21.5
93.07035	4.2
95.04977	3.7
95.08611	4.6
103.05473	1.2
105.03419	3.3
105.07035	37.1
107.04969	1.9
107.08607	3.6
109.06520	0.6
109.10141	1.4
115.05495	3.3
117.07024	7.2
118.07806	1.2
118.58861	0.5
119.04942	3.8
119.08585	34.2
120.08941	0.8
121.02850	0.7
121.06516	4.1
121.10136	1.7
124.04647	0.8
128.06224	13.7
128.07115	1.1
129.07034	4.3
130.07816	3.4
131.04919	1.4
131.08580	6.1
132.05687	0.9
133.02861	0.8
133.06480	3.4
133.10133	37.4
135.04395	0.6
141.06958	0.9
142.98659	1.0
143.08560	22.5
143.71501	0.6
145.06483	6.7
145.10114	4.8
146.07254	4.1
147.04405	2.6
147.08052	17.0
147.11700	5.7
148.08377	0.6
149.02350	1.6
155.06055	0.7
156.09355	2.7
159.08096	1.2
159.11653	0.9
161.05981	1.7
161.09622	32.6
161.13261	1.9
162.09941	0.6
171.08060	8.3
171.11673	3.6
174.06764	4.3
174.10371	0.7
189.05458	2.3
189.09114	100.0
189.12686	11.2
189.16380	12.9
190.09441	2.0
207.10181	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	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05493	2.7
55.75460	0.9
57.03423	5.5
65.03944	1.0
67.05497	1.7
68.48362	0.8
68.99780	2.6
69.03415	2.3
69.07066	2.0
69.52172	4.7
69.52595	2.5
73.02909	0.7
79.05482	2.6
81.07033	2.1
85.02901	35.6
87.00832	7.6
91.05479	23.7
93.07042	2.9
95.04960	1.3
95.08592	2.8
103.03938	1.3
103.05540	1.9
105.03390	2.9
105.07022	16.5
107.04951	5.8
107.08566	2.2
109.10110	1.2
111.00766	1.5
115.05466	2.2
116.06268	1.5
117.07024	2.0
118.04141	5.3
119.04927	9.8
119.08575	9.7
121.06521	8.5
125.01793	0.9
128.06216	14.6
129.06998	38.4
130.07756	2.4
131.04922	6.3
131.08574	4.8
132.05779	1.3
133.02846	12.3
133.05127	0.9
133.06500	5.5
133.10112	11.9
143.08551	4.1
144.05688	3.7
145.06490	4.1
145.10139	3.6
146.03615	2.1
146.07253	13.5
147.04395	1.2
147.08037	5.7
147.11728	5.1
148.05185	100.0
149.05579	1.6
156.09340	2.3
157.05203	1.7
157.06488	26.1
159.08086	2.9
161.05977	30.8
161.09610	45.4
161.13220	1.3
162.09920	0.8
171.02890	2.2
171.08032	1.9
171.11729	4.6
174.06763	14.9
174.10406	1.1
176.19025	0.9
189.05551	5.0
189.09105	67.7
189.12677	10.1
189.16386	9.6
190.06238	2.0
190.09506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0908
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.34734	0.4
55.01874	2.3
55.05495	1.9
65.03932	0.6
67.05486	1.5
69.03427	13.0
69.07053	1.0
69.86630	2.6
72.27448	0.4
79.05497	2.9
81.03382	0.5
81.07040	1.3
83.04971	1.6
85.02882	0.9
91.05477	19.7
93.07032	3.1
95.04964	2.3
95.08596	1.9
103.05434	1.6
105.03384	3.6
105.07026	30.5
107.04925	1.7
107.08565	1.9
109.06475	0.6
115.05425	3.0
117.07008	6.3
118.07808	0.9
119.04920	3.9
119.08575	26.4
121.06503	4.0
121.10118	0.9
128.05266	0.7
128.06218	12.8
129.07014	4.8
130.07765	3.3
131.04938	1.0
131.08574	3.7
132.05701	0.7
133.02867	0.9
133.06494	2.8
133.10123	29.0
141.06999	0.6
142.07770	0.6
143.08556	24.1
145.06476	5.7
145.10091	3.9
146.07274	4.2
147.04436	2.3
147.08041	16.1
147.11656	2.3
155.06093	0.5
156.09331	1.1
159.08009	0.7
161.05980	1.5
161.09612	31.6
161.13248	1.1
162.10033	0.8
171.08044	7.8
171.11690	1.7
174.06750	4.4
174.10391	0.7
189.09097	100.0
189.12653	7.2
189.16389	4.8
190.09529	1.1
207.10101	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	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.00470	0.4
52.84711	0.4
53.18219	0.5
55.01855	1.8
55.05513	2.4
57.03460	0.4
58.07809	0.4
65.03925	0.5
67.05509	2.5
68.99785	0.6
69.03429	14.1
69.07055	1.1
71.58421	0.9
79.05502	2.7
81.07062	2.1
83.04974	2.1
84.04496	0.5
84.08138	0.6
85.02885	1.6
87.00855	0.5
91.05478	17.3
93.07037	4.3
95.04980	2.4
95.08614	4.7
103.05437	0.9
105.03378	3.9
105.07030	31.3
107.04955	1.9
107.08602	2.4
109.10149	1.1
115.05453	2.5
117.07021	5.7
118.07809	0.9
119.04945	2.9
119.08579	29.4
121.06524	2.8
121.10169	1.1
128.06215	13.1
129.07001	8.7
130.07799	3.4
131.04901	1.3
131.08583	4.2
132.05682	0.7
133.02841	1.0
133.06476	2.3
133.10127	27.6
134.10413	0.5
141.06917	0.6
142.07816	0.5
143.08557	23.0
145.06485	7.0
145.10110	4.4
146.07243	4.9
147.04370	1.6
147.08041	16.3
147.11685	3.9
155.06053	1.2
156.09326	1.4
157.06493	1.8
159.08055	1.3
161.05972	1.4
161.09615	31.8
161.13235	1.5
171.08032	7.9
171.11661	2.0
174.06783	5.9
174.10371	0.4
189.09106	100.0
189.12662	6.7
189.16368	9.5
190.09457	1.6
207.10225	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	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03944	0.7
55.01875	2.2
55.05519	1.8
57.03434	0.5
65.03944	0.6
66.12275	0.4
67.05499	2.3
69.03430	18.7
69.07030	0.4
69.30347	3.2
69.30759	0.8
77.03883	0.3
79.05488	3.2
81.03391	0.8
81.07045	1.6
83.04993	2.0
85.02892	1.6
91.05484	22.6
93.07047	5.3
95.04964	3.6
95.08589	1.5
98.20641	0.4
103.05503	2.0
104.06183	0.5
105.03403	3.4
105.07034	34.5
107.04983	2.3
107.08578	1.8
109.02899	0.4
111.04433	0.4
115.05436	3.5
117.07020	8.4
118.07784	1.1
119.04936	3.6
119.08584	31.5
120.08936	0.6
121.06522	3.9
121.10133	1.1
128.06219	13.6
129.05568	0.4
129.07002	5.9
130.06956	0.4
130.07813	3.6
131.04918	1.2
131.08571	5.0
132.05719	1.1
132.09262	0.4
133.02849	0.9
133.06517	3.6
133.10133	30.8
141.06981	0.5
143.08562	22.9
144.09119	0.3
145.06488	7.0
145.10107	3.8
146.07257	4.4
147.04405	2.6
147.08047	18.7
147.11674	2.5
149.02338	0.6
153.06996	0.4
155.06079	0.6
156.09334	1.6
159.08083	0.8
159.11699	0.4
160.05247	0.5
161.06027	2.1
161.09621	33.1
161.13248	1.2
162.09937	0.7
171.08064	7.9
171.11717	1.9
174.06789	4.2
174.10370	0.4
189.09113	100.0
189.12634	5.9
189.16373	4.1
190.09438	1.7
207.10136	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	189.091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25796	0.2
55.01861	0.8
55.05508	0.3
56.96563	0.5
58.73590	0.3
67.05486	1.0
69.03416	0.6
69.07072	1.3
70.29988	1.1
70.30334	0.2
79.05499	1.8
81.07055	1.9
83.08605	0.3
84.04478	0.5
85.02917	1.3
85.04834	0.4
91.05489	2.3
93.07021	1.4
95.04972	0.8
95.08590	1.6
97.02866	0.3
103.05486	0.5
105.07039	4.1
107.04978	0.3
107.08598	1.2
109.10146	0.8
111.04437	0.3
115.05457	2.3
117.07012	0.8
119.04962	0.3
119.08582	4.1
121.06485	0.3
121.10166	0.5
123.04422	1.3
124.97579	0.2
128.06216	10.1
129.07054	1.3
131.04947	0.4
131.08577	1.0
132.05722	0.3
133.06503	1.2
133.10121	2.6
134.90862	0.2
135.11687	0.5
141.06967	0.8
143.04883	0.6
143.08562	9.8
144.05556	0.3
145.06493	1.4
145.10132	1.3
146.07248	0.6
147.04501	0.6
147.08022	1.8
147.11656	1.9
149.02394	0.4
153.06943	0.3
153.12711	0.5
155.04822	0.3
155.06026	0.6
155.11734	0.3
156.05733	0.6
156.09358	1.1
157.06416	1.8
159.08023	0.6
160.05215	3.5
161.05988	2.8
161.09636	2.1
161.13254	0.9
165.40823	0.3
171.08034	2.1
171.11685	2.0
173.04572	0.5
173.05975	4.5
174.06758	8.3
174.10335	0.6
187.07553	1.4
189.09102	100.0
189.12637	6.2
189.16371	3.1
190.09483	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.74917	0.7
52.02288	0.6
53.03943	1.1
55.01850	2.3
55.05511	3.8
56.96560	2.0
65.03922	1.4
67.05496	4.7
67.13694	0.7
69.03078	0.9
69.03435	16.2
69.07066	3.4
71.04965	0.9
79.05499	3.6
81.03429	1.2
81.07056	7.3
83.04982	3.4
83.08627	1.7
84.04505	4.4
84.08185	0.7
85.02883	2.5
85.04834	3.9
86.03246	0.8
87.04479	0.9
91.05483	25.8
93.07043	6.5
95.04997	3.5
95.08051	0.9
95.08615	11.1
98.20689	1.2
103.05458	2.1
105.03404	3.3
105.07030	44.0
107.04945	3.0
107.08603	7.0
109.06493	1.0
109.10184	3.4
111.04497	0.9
115.05444	2.9
117.07008	7.6
118.07815	1.9
118.85142	0.6
119.04938	4.0
119.08581	45.4
121.02885	0.7
121.06515	4.4
121.10157	3.0
124.04634	1.2
128.06235	13.1
129.05550	0.7
129.06987	6.0
130.07790	3.3
131.04915	1.2
131.08571	7.1
132.05711	0.8
133.02789	0.7
133.05246	0.8
133.06485	3.4
133.10132	50.1
134.10484	0.9
141.07005	1.3
142.07748	0.8
142.98613	1.4
143.08563	22.6
144.09383	1.1
145.06500	6.7
145.10097	8.0
146.07291	3.9
146.10851	1.4
147.04405	2.6
147.08052	19.5
147.09212	1.3
147.11682	13.8
149.02354	1.7
156.09326	6.2
157.06432	0.9
159.08054	2.6
159.11681	2.0
160.08850	1.2
160.12288	0.9
161.05988	2.6
161.09628	33.1
161.13237	5.5
166.55557	0.7
171.08066	8.8
171.11667	8.4
174.06773	4.1
174.10432	2.8
189.05589	3.2
189.09113	100.0
189.12712	30.2
189.16388	29.4
189.18123	1.4
190.09503	1.4
207.10205	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	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.25796	0.2
55.01861	0.8
55.05508	0.3
56.96563	0.5
58.73590	0.3
67.05486	1.0
69.03416	0.6
69.07072	1.3
70.29988	1.1
70.30334	0.2
79.05499	1.8
81.07055	1.9
83.08605	0.3
84.04478	0.5
85.02917	1.3
85.04834	0.4
91.05489	2.3
93.07021	1.4
95.04972	0.8
95.08590	1.6
97.02866	0.3
103.05486	0.5
105.07039	4.1
107.04978	0.3
107.08598	1.2
109.10146	0.8
111.04437	0.3
115.05457	2.3
117.07012	0.8
119.04962	0.3
119.08582	4.1
121.06485	0.3
121.10166	0.5
123.04422	1.3
124.97579	0.2
128.06216	10.1
129.07054	1.3
131.04947	0.4
131.08577	1.0
132.05722	0.3
133.06503	1.2
133.10121	2.6
134.90862	0.2
135.11687	0.5
141.06967	0.8
143.04883	0.6
143.08562	9.8
144.05556	0.3
145.06493	1.4
145.10132	1.3
146.07248	0.6
147.04501	0.6
147.08022	1.8
147.11656	1.9
149.02394	0.4
153.06943	0.3
153.12711	0.5
155.04822	0.3
155.06026	0.6
155.11734	0.3
156.05733	0.6
156.09358	1.1
157.06416	1.8
159.08023	0.6
160.05215	3.5
161.05988	2.8
161.09636	2.1
161.13254	0.9
165.40823	0.3
171.08034	2.1
171.11685	2.0
173.04572	0.5
173.05975	4.5
174.06758	8.3
174.10335	0.6
187.07553	1.4
189.09102	100.0
189.12637	6.2
189.16371	3.1
190.09483	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01852	0.5
55.05497	0.7
57.03410	0.5
57.07051	0.3
67.05505	0.8
68.99782	0.4
69.03419	0.5
69.07069	1.4
69.49215	0.2
70.68370	0.2
70.68715	0.8
77.03941	0.2
79.05483	1.6
81.07051	1.8
83.04980	0.5
83.08623	0.5
84.04497	0.4
85.02904	3.5
85.04824	0.3
87.00808	0.7
89.24140	0.2
89.43252	0.3
91.05466	2.0
93.07038	1.4
94.65783	0.3
95.04961	0.5
95.08612	1.6
97.06538	0.3
103.05427	0.3
105.07028	3.7
107.08606	2.0
109.10157	1.3
111.04441	0.3
115.05459	2.2
117.06998	0.5
119.05021	0.3
119.08585	2.9
121.06482	0.3
123.04414	0.8
128.06227	9.5
128.35559	0.3
129.06996	5.3
130.07762	0.4
131.04919	0.8
131.08566	1.8
132.05667	0.4
133.06462	1.4
133.10121	2.8
135.11673	1.0
141.06972	1.1
143.04915	0.8
143.08560	9.2
145.06471	1.3
145.10124	1.1
146.07248	1.0
147.04445	0.7
147.07986	1.1
147.11684	1.9
152.06189	0.3
153.06941	0.4
153.12694	0.5
156.05699	0.7
156.09334	1.0
157.06487	3.3
158.07278	0.7
159.08104	0.3
160.05212	2.8
161.05963	3.6
161.09578	2.1
161.13264	0.7
162.10147	0.2
171.08054	2.5
171.11710	1.8
173.05992	4.3
174.06763	13.3
174.10368	0.4
175.07190	0.3
187.07552	1.4
189.05634	2.4
189.09102	100.0
189.16339	2.2
190.09566	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03941	0.5
55.01868	0.7
55.05499	0.6
55.11197	0.3
57.03428	0.4
60.87518	0.3
63.27459	0.4
67.05495	1.4
69.03432	1.7
69.07046	0.9
71.04968	0.4
71.59177	0.6
79.05497	1.6
81.07056	1.6
85.02926	1.6
85.04843	0.4
91.05481	5.6
93.07037	1.1
95.04965	1.3
95.08608	1.1
97.02900	4.6
103.05448	0.5
105.03397	0.3
105.06379	0.5
105.07037	6.0
107.04964	3.3
107.08605	0.9
109.10153	0.8
115.05442	2.8
117.06968	1.7
119.04946	0.8
119.08584	3.7
121.06519	1.2
121.10128	0.5
123.04424	1.0
128.06221	13.1
129.07060	1.9
130.07765	0.3
131.04935	1.1
131.08565	5.1
132.05722	1.7
133.06509	3.6
133.10124	4.6
135.11688	0.8
141.07007	2.8
143.04962	0.4
143.06088	0.5
143.08560	10.4
144.05678	2.0
145.06496	5.5
145.10168	1.2
146.07251	4.3
147.04411	4.2
147.08046	3.1
147.11658	0.7
152.06172	0.4
153.06967	0.9
155.05984	0.8
156.05721	0.6
156.09366	1.5
157.06454	2.8
158.07286	1.5
159.08064	4.7
160.05229	4.0
160.08830	4.3
161.05981	2.8
161.09602	9.1
161.13301	0.5
169.07617	1.0
171.08049	24.1
171.11687	1.8
172.08350	0.5
173.05991	4.0
174.06773	7.5
174.10417	0.6
187.07545	1.2
189.09109	100.0
189.12602	5.5
189.16347	2.2
190.09508	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01861	0.9
55.05507	0.6
65.03934	0.5
65.79556	0.5
65.99594	0.4
67.05486	1.0
68.93886	0.4
69.03414	1.5
69.07043	1.2
70.85700	1.3
71.31797	0.4
79.05485	1.2
80.38405	0.4
81.07043	1.5
84.04501	0.6
85.02892	1.2
86.09685	0.6
88.87482	0.4
91.05482	3.8
93.07034	1.5
95.08602	2.0
95.20469	0.4
96.46582	0.4
97.06492	0.8
103.05452	1.2
105.07029	4.7
107.04980	2.6
107.08591	2.0
109.10190	0.7
111.04430	0.5
115.05452	3.6
115.07571	0.6
117.07024	1.5
119.08581	4.2
121.10114	0.7
127.95213	0.6
128.06223	26.7
129.07014	2.7
130.07768	0.6
131.04958	0.6
131.08546	3.3
132.05707	0.7
133.06480	1.5
133.10117	2.7
141.07007	3.8
143.08560	34.7
144.05655	2.5
144.08862	0.7
145.06470	4.0
145.10136	1.5
146.07257	0.7
147.08057	2.0
147.11697	2.6
148.08717	0.6
152.06183	0.6
153.06979	1.1
155.06036	1.3
156.09291	2.3
157.06456	3.8
158.07281	5.0
159.08023	3.6
159.11641	0.6
159.19211	0.5
160.08838	1.0
161.05994	0.8
161.09650	3.0
161.13257	1.7
171.08012	3.7
171.11661	4.3
174.06715	1.1
174.10417	0.8
189.09106	100.0
189.12651	9.3
189.16324	3.7
190.09462	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01870	1.4
55.05493	0.8
57.03428	2.1
67.05483	2.7
68.99770	0.7
70.14009	2.3
70.14426	1.1
71.04975	0.8
73.08292	0.5
79.05488	1.2
81.07044	1.4
85.02908	8.7
86.09657	0.9
87.00817	2.1
88.76274	0.6
91.05482	7.4
93.07029	1.6
95.04948	2.3
95.08594	1.8
97.06449	0.6
103.05505	0.9
105.07027	7.1
107.01421	0.5
107.04948	7.5
107.08627	1.0
109.06538	0.6
115.05458	3.1
117.07005	2.7
119.04910	0.7
119.08580	5.2
121.06499	1.9
128.06224	9.0
129.07024	2.9
131.04900	1.0
131.08559	7.2
132.05653	0.8
133.06490	3.4
133.10123	4.5
141.06966	3.4
142.07803	0.6
143.08545	6.2
144.05702	3.7
145.06487	8.5
145.10123	1.8
146.07260	4.2
147.04271	0.7
147.08032	4.9
147.11681	1.4
152.06163	1.3
153.06926	1.1
155.06020	1.6
156.09322	2.2
157.06456	1.7
158.07289	3.1
159.08064	8.3
160.05209	1.4
160.08838	2.9
161.05989	3.0
161.09616	11.5
161.13245	1.3
169.07680	0.9
171.08046	41.4
171.11674	3.5
174.06822	3.1
189.05476	2.2
189.09106	100.0
189.12639	7.3
189.16335	3.3
190.09474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25390	0.3
55.66439	0.4
56.96562	0.9
58.81026	0.4
69.75629	1.3
69.76040	0.9
84.04510	3.0
85.02897	1.2
87.04461	0.4
91.05464	2.8
93.57864	0.4
97.96471	0.3
98.21428	0.7
103.05452	0.7
115.05460	4.7
117.05754	0.9
117.07011	3.9
118.06548	60.6
119.01856	0.4
119.06873	1.2
127.64232	0.4
128.02322	1.6
128.04930	0.6
132.08061	0.5
137.02780	0.9
142.06528	6.2
143.06200	0.6
143.07318	11.0
144.04428	0.6
144.08098	24.5
144.47574	0.4
145.06514	1.1
146.06017	100.0
147.06371	1.5
155.06088	0.6
159.87233	0.4
160.07565	1.3
170.06010	9.1
188.07074	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
70.47797	0.9
84.04498	0.3
84.07626	0.3
86.01187	0.3
91.05483	2.8
115.05444	4.5
115.06179	0.5
116.05015	0.3
117.05755	1.0
117.07017	3.8
118.06542	62.7
119.06859	1.0
132.08099	0.6
142.06511	5.3
143.07310	9.8
144.04454	0.7
144.08084	22.9
145.06506	0.9
146.06007	100.0
147.06328	1.1
155.06027	0.7
160.07570	0.8
170.06004	9.0
188.07063	28.0
189.07390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
51.63236	0.4
55.05510	1.6
56.05040	2.1
57.03436	1.5
59.05013	2.3
60.04529	1.5
61.02929	8.1
63.14030	0.4
64.30566	0.4
67.05489	0.5
69.03429	0.9
70.02954	2.1
71.04990	1.8
71.58841	0.4
71.59209	0.7
75.04494	0.8
79.05523	0.4
81.03453	0.5
81.07044	0.6
82.06583	2.0
83.04986	4.0
84.04510	100.0
84.94244	0.4
85.02911	19.7
85.04815	0.5
86.06049	0.8
86.09708	2.0
87.04472	6.9
91.05492	0.7
93.07117	0.5
94.05715	0.4
95.08611	0.9
96.04497	1.0
98.06053	1.0
100.07624	2.0
105.07053	0.7
107.08591	0.5
109.51474	0.5
110.06036	3.2
111.04471	1.8
119.08545	0.6
126.05523	6.0
128.06223	0.8
128.07077	5.7
128.10727	0.6
129.05508	1.3
132.08987	0.6
133.10081	0.4
138.84566	0.5
142.08553	0.6
145.06378	0.4
146.06044	1.6
146.08147	1.3
146.10481	0.7
160.09724	0.8
170.08150	1.6
171.11736	0.7
188.04424	0.5
188.07823	0.9
188.09221	14.9
188.15198	1.5
189.05493	1.1
189.07352	0.4
189.09064	2.8
189.12779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03933	0.5
55.01863	0.7
55.05510	0.8
57.07073	1.0
65.03924	0.3
67.05502	2.4
69.03420	0.6
69.07066	0.8
69.61976	0.4
69.62399	1.1
77.03927	0.3
79.05490	2.5
81.03423	1.2
81.07061	4.1
83.04955	0.2
83.08629	0.3
84.04494	0.7
85.02898	0.4
88.02206	0.6
90.63232	0.2
91.05477	8.2
93.07043	2.0
95.04955	0.6
95.08601	1.2
98.33793	0.2
103.05447	1.0
104.17537	0.2
105.03343	0.3
105.07026	11.8
107.04964	1.5
107.08581	1.0
109.02837	0.2
109.10151	0.4
114.05507	0.2
115.05431	2.5
116.06242	1.2
117.07015	18.3
118.07330	0.4
119.08575	17.4
120.08927	0.4
121.06493	0.2
128.06218	2.1
128.07109	0.3
129.06999	9.2
130.07796	5.3
131.04926	2.3
131.08565	20.1
132.08939	0.5
133.10150	1.4
138.45535	0.2
141.06982	1.4
142.07756	2.3
143.08559	8.0
144.05705	0.5
144.08185	0.2
144.09349	9.3
145.06471	3.9
145.10118	60.8
146.07318	0.4
146.10414	1.3
153.07001	0.3
154.07758	1.6
155.06035	0.2
157.06560	0.8
157.10127	5.0
158.07277	1.3
158.10912	4.3
159.08090	3.0
159.11687	26.2
160.11980	0.6
169.10098	2.2
170.10866	0.2
172.08835	7.1
172.12462	3.6
173.09175	0.2
173.13220	0.3
185.09714	0.2
185.13277	0.3
187.11183	100.0
187.14793	52.3
188.11494	3.3
188.15181	1.3
199.94298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22480	0.4
55.01863	0.4
55.05494	1.1
57.07071	2.5
67.05511	2.1
69.03429	0.7
69.07034	0.5
71.60165	0.8
79.05502	2.8
81.03403	1.1
81.07060	3.7
83.08617	0.3
84.04479	0.9
85.02889	0.4
88.02225	0.7
91.04974	0.5
91.05484	7.4
93.07041	2.2
95.04964	1.0
95.08589	1.1
103.05453	0.8
105.07034	11.0
107.04942	1.2
107.08592	0.9
115.05459	2.5
116.06231	1.1
117.07019	15.5
118.07391	0.4
119.08578	13.2
120.08885	0.4
128.06213	3.3
129.07007	8.3
130.07800	6.2
131.04919	2.1
131.08571	19.7
133.06480	0.5
133.10143	3.6
141.07008	3.7
142.07796	1.2
143.08562	12.3
144.05786	0.8
144.09369	7.0
145.06482	3.2
145.10123	100.0
146.10457	2.2
153.06950	0.4
154.07759	2.1
156.09323	0.5
157.06497	0.8
157.10141	11.0
158.07301	3.7
158.10921	6.6
159.08089	4.4
159.11694	28.2
160.12007	0.9
169.06482	1.1
169.10167	3.0
170.10895	0.4
172.08849	4.8
172.12486	11.3
173.13220	1.8
185.13290	0.7
187.07678	5.1
187.11200	63.8
187.14819	91.6
188.11472	1.7
188.15216	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05507	1.1
55.20821	0.5
57.07077	11.0
67.05508	1.8
69.03424	2.8
69.07061	0.8
70.43068	1.9
71.04987	1.0
78.07327	0.5
79.05486	1.9
80.74326	0.5
81.03421	3.5
81.07058	4.6
83.04955	0.6
84.04513	3.8
85.02914	1.6
88.02213	3.1
91.05472	4.4
93.07028	1.7
95.08594	1.8
105.07030	7.2
107.08605	1.2
109.02863	0.7
109.10152	1.2
113.00018	26.9
115.05455	2.3
116.06165	0.6
117.07009	7.1
119.08575	5.8
123.08075	0.6
123.11780	0.8
127.03915	0.8
128.06223	1.2
129.06996	2.5
130.07805	3.7
131.08574	17.8
133.10132	3.3
141.06964	3.6
142.07719	0.5
143.08543	8.6
144.09311	2.1
145.06499	1.8
145.10121	73.7
146.10458	1.3
157.10133	13.3
158.07332	0.9
158.10919	6.1
159.04295	0.5
159.06897	0.6
159.08095	1.1
159.11693	20.5
169.10103	0.5
170.10896	0.5
172.08919	1.2
172.12479	19.0
173.13177	2.0
187.06055	0.5
187.07555	10.2
187.11253	9.0
187.14821	100.0
188.09192	0.7
188.15184	2.3
191.47983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03940	0.8
54.48370	0.5
55.05516	1.1
56.96564	2.8
57.07077	5.0
61.02921	0.8
67.05519	2.5
67.23843	0.5
69.03443	2.8
70.77726	2.1
71.04971	0.8
71.08609	0.5
79.05502	2.4
81.03435	3.9
81.07056	4.0
83.05003	1.2
83.08626	1.4
84.04514	6.2
85.02901	2.2
86.88562	0.6
88.02225	5.6
91.05482	3.9
93.07014	0.9
95.04990	0.9
95.08611	1.6
97.02917	0.9
104.90855	0.5
105.07036	9.7
107.08600	2.0
109.02886	1.5
115.05435	3.7
116.06255	0.8
117.07003	6.5
118.06567	0.6
119.08588	7.6
123.08050	0.9
123.57255	0.9
124.78143	0.5
126.05531	0.8
127.03866	1.0
128.06230	3.0
128.07074	0.8
128.97853	1.3
129.06993	4.5
130.07794	5.5
131.08580	11.0
131.48132	0.7
132.57780	3.2
133.10143	1.7
135.08015	1.0
137.98380	2.8
140.48653	1.7
141.06999	8.7
141.58311	4.5
143.08575	8.5
144.05698	0.9
144.09535	3.0
145.06465	1.5
145.10130	100.0
146.10495	2.6
149.49118	1.5
153.09085	1.8
154.07764	2.3
157.06535	0.7
157.10143	8.9
158.07309	1.0
158.10953	3.2
159.06966	0.6
159.08081	2.2
159.11696	15.1
161.00008	1.1
169.06439	1.0
169.10109	7.0
172.08826	5.3
172.12489	7.8
173.00832	1.1
185.13188	0.5
187.06100	1.2
187.07559	34.1
187.11214	20.1
187.14827	76.0
187.22516	2.0
188.07806	1.8
188.09242	1.4
188.11533	0.8
188.15184	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	10.8
57.31464	0.4
59.13560	0.4
67.05499	1.0
69.03432	0.8
71.39948	0.7
71.40279	0.5
79.05488	0.9
81.03423	1.5
81.07064	1.3
84.04506	1.2
85.75256	0.4
88.02204	1.3
91.05481	4.4
93.07065	0.7
95.08609	0.7
105.07033	7.6
109.02840	0.6
115.05455	1.4
116.06264	0.8
117.07018	6.3
119.08579	5.4
126.10364	0.5
128.06255	1.2
129.06987	3.2
130.07793	4.9
131.08580	16.9
132.08949	0.5
133.10121	3.0
141.07004	1.4
142.07834	1.1
143.08572	9.2
144.09366	3.6
145.10124	78.9
146.10449	1.3
147.11600	0.5
157.10143	14.8
158.07256	0.6
158.10927	7.4
159.08113	0.6
159.11693	21.6
160.12138	0.5
169.10152	0.9
170.10913	0.9
171.11673	0.7
171.33824	0.4
172.08865	1.3
172.12482	20.9
173.13213	2.4
185.13315	0.7
187.07570	3.1
187.11282	9.3
187.14821	100.0
188.15205	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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.00298	0.2
53.03944	0.4
55.01872	0.6
55.05510	0.8
57.03433	0.3
57.07070	2.6
63.02354	0.2
65.03948	0.5
67.05505	2.5
69.03440	0.7
69.07081	0.8
71.58649	0.3
71.59012	0.2
77.02284	0.1
77.03943	0.4
79.05489	2.6
80.05816	0.2
81.03432	1.5
81.07057	4.2
84.04489	0.5
85.02908	0.2
88.02230	0.3
91.05479	8.2
91.52974	0.1
93.07038	2.2
95.04964	0.7
95.08618	1.6
103.05466	1.2
105.07028	13.4
106.07365	0.3
107.04960	1.7
107.08576	1.4
107.70704	0.2
109.02901	0.2
110.64182	0.1
111.94567	0.2
113.00025	2.4
115.05434	2.9
116.03461	0.1
116.06235	1.1
117.07017	19.6
118.07365	0.2
119.08580	19.9
120.08905	0.6
121.06567	0.2
121.10153	0.3
122.92021	0.2
128.06209	2.2
128.07092	0.2
129.07005	9.9
130.07806	6.5
131.04933	2.1
131.08569	23.5
132.05699	0.2
132.08917	0.5
133.06496	0.4
133.10136	1.8
141.06973	2.3
142.07773	2.5
142.08771	0.2
143.08563	10.1
144.05721	0.4
144.09348	9.8
145.06480	3.8
145.10120	75.0
146.07239	0.3
146.10437	1.9
147.08078	0.4
153.06897	0.2
154.07764	1.9
156.09352	0.2
157.06567	1.0
157.10139	7.9
158.07292	1.6
158.10913	5.9
159.08095	2.9
159.11691	29.9
160.12050	1.0
164.26411	0.2
167.08594	0.3
169.10129	2.1
170.10828	0.4
171.08115	0.3
172.08838	6.9
172.12489	5.7
173.09111	0.3
173.13243	0.9
185.13280	0.6
187.07735	3.1
187.11191	100.0
187.14803	66.0
187.46869	0.2
188.07779	0.2
188.09737	0.3
188.11517	3.4
188.15164	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03926	0.6
55.01870	0.3
55.05497	0.7
57.07074	1.8
67.05502	1.7
69.03409	0.6
69.07034	0.5
70.38152	1.2
79.05498	1.9
81.03384	1.1
81.07053	3.4
84.04486	1.0
85.02885	0.4
88.02186	0.9
91.04973	0.5
91.05482	5.9
93.07040	1.4
94.71575	0.3
95.04948	0.4
95.08584	1.0
103.05446	0.9
105.07027	10.6
107.04953	1.0
107.08597	0.9
109.02820	0.3
112.99989	0.8
114.17744	0.3
115.05396	1.6
116.06217	1.0
117.07018	12.0
119.08578	13.2
127.03899	0.4
128.06210	3.2
129.06049	0.3
129.07007	5.7
130.07797	5.0
131.04944	1.6
131.08566	16.7
133.06468	0.3
133.10136	3.2
141.06967	2.8
142.07780	1.6
143.08571	9.7
144.05672	0.6
144.09357	5.4
145.06471	2.7
145.10118	97.7
146.10455	2.7
154.07791	1.0
157.06500	0.6
157.10121	8.6
158.07278	2.6
158.10913	6.0
159.08067	4.3
159.11693	25.8
160.11974	0.9
169.06459	0.7
169.10130	2.4
170.10880	0.5
171.11649	0.6
172.08856	3.9
172.12465	10.2
173.13261	1.5
185.13339	0.7
187.07648	5.3
187.11201	52.0
187.14813	100.0
188.11493	2.2
188.15201	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.08742	0.6
53.03947	0.7
55.05500	1.0
57.07080	4.3
58.83870	0.6
65.03934	0.8
67.05500	2.9
67.34116	0.7
69.03416	2.0
69.07055	1.2
71.60937	1.3
76.24547	0.7
79.05482	2.8
81.03415	2.5
81.07061	6.4
83.08628	0.8
84.04507	2.7
88.02211	2.9
88.60683	0.6
90.47870	0.7
91.05491	8.4
92.62540	0.6
93.07035	2.9
95.08628	3.3
99.04446	0.9
103.05513	1.3
105.07038	13.5
107.04961	1.4
107.08579	2.1
109.02941	0.8
115.05471	2.4
116.06252	1.1
117.06223	1.0
117.07030	17.1
118.07324	0.9
119.08592	20.5
124.91649	0.8
127.03851	0.7
128.06223	1.8
128.07095	0.9
129.07019	8.2
130.07771	6.9
131.04991	1.4
131.08578	27.4
133.10138	2.9
141.07021	2.3
142.07745	2.0
143.08560	10.7
144.09372	7.9
145.06482	2.2
145.10135	90.0
146.10509	2.0
154.07742	1.0
157.10147	9.0
158.07326	1.6
158.10948	8.1
159.08095	4.5
159.11708	32.0
160.12061	0.8
169.10162	2.5
172.08849	5.8
172.12495	10.1
173.13245	1.5
187.07634	6.0
187.11214	69.3
187.14833	100.0
188.09245	1.4
188.11559	2.2
188.15244	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	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03937	4.1
55.01862	2.5
55.05519	9.0
56.05040	1.7
56.96572	5.9
57.03434	2.7
57.07078	8.3
57.92020	1.0
58.06581	1.5
59.04995	5.9
59.06107	1.9
60.04507	2.5
61.02922	2.2
66.75754	0.9
67.05502	13.8
69.03123	1.3
69.03435	12.8
69.07069	21.6
70.06589	2.4
71.04992	26.0
71.58685	1.5
72.04526	1.3
72.08154	5.8
73.02898	1.4
73.06525	1.2
79.05492	17.8
81.03416	13.5
81.07057	100.0
82.07388	1.1
83.04980	11.2
83.08620	4.3
84.04041	1.3
84.04508	17.2
84.08147	8.7
85.02896	9.8
85.06545	10.0
86.06072	1.2
86.09686	5.2
87.04476	2.3
87.05559	1.2
88.02214	6.8
91.05473	14.7
93.07042	8.1
95.04963	4.5
95.08600	6.1
96.04539	1.3
97.02884	2.9
97.06541	10.4
97.10154	1.1
97.96648	1.0
99.04443	5.3
99.08089	6.6
101.06010	2.3
105.07039	8.7
106.53350	1.6
107.08594	17.1
109.02877	4.5
109.06492	5.1
109.07629	1.4
109.10150	30.1
111.08075	3.4
111.11726	7.4
113.06030	1.4
114.05505	1.2
117.07018	3.8
118.06547	2.1
119.08591	3.3
120.08102	2.8
121.10134	4.0
123.04459	1.1
123.08049	3.3
123.11707	21.8
126.34089	1.1
127.03886	3.9
127.07613	1.8
127.11214	5.6
128.06195	2.2
128.07071	1.8
129.07080	2.4
129.10240	3.5
130.07764	1.2
131.04930	2.3
131.08578	8.6
133.10132	8.3
139.11180	6.5
141.06961	2.2
143.08543	1.8
144.05690	3.4
144.08147	1.2
144.09366	1.8
145.06494	2.2
145.07664	1.3
145.10124	18.5
146.06021	2.3
151.07600	1.4
151.11179	17.4
154.07846	1.0
154.52652	2.1
157.12268	3.9
159.08087	8.3
159.11688	7.3
169.10133	1.6
169.12256	15.6
172.08762	2.2
172.12471	2.0
173.00850	1.3
176.81444	0.9
177.00766	1.4
187.03935	1.9
187.06012	1.6
187.07536	18.6
187.09593	2.5
187.11163	10.5
187.13077	2.6
187.14775	14.9
188.07166	1.9
188.09248	3.9
209.43477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
51.93123	1.5
52.49285	1.2
53.03924	2.0
55.01861	3.5
55.05511	16.8
56.96570	1.3
57.03425	5.7
57.07071	7.1
59.00724	1.6
59.05010	2.8
59.06114	1.6
61.02921	4.2
63.35640	1.3
65.03941	1.8
67.05505	57.0
69.03434	10.8
69.06725	2.1
69.07070	24.9
69.83677	8.7
70.06593	1.8
71.04596	3.0
71.04996	77.1
72.08155	39.4
79.05495	20.8
81.03435	10.5
81.07059	100.0
82.06582	8.3
82.07377	1.7
82.62234	1.4
83.04984	10.4
83.08639	3.2
84.04502	11.9
84.08144	4.7
85.02892	5.5
85.06546	94.9
86.09702	3.9
88.02209	5.9
88.04000	2.4
91.05481	32.6
93.07039	19.9
95.04963	6.3
95.08611	9.8
96.08129	4.4
97.02882	3.0
97.06531	10.2
98.02419	4.5
99.04436	7.9
99.08086	4.7
99.09187	2.3
100.07638	1.5
101.63781	1.5
105.07039	37.4
106.07351	1.8
107.08595	43.5
107.09303	3.3
109.02885	3.8
109.06535	9.4
109.10158	72.5
111.11729	3.7
113.06029	2.9
117.07010	2.2
118.06570	2.4
119.01855	1.4
119.08604	2.2
121.10123	3.2
123.08075	6.3
123.11713	19.9
124.07578	4.6
125.09638	4.0
127.03893	2.6
127.05838	2.3
127.07516	3.8
127.08673	12.8
127.11197	4.9
128.06198	1.6
128.07094	4.9
129.06975	2.2
129.10204	3.0
131.04927	2.1
131.08604	7.3
133.10138	76.1
134.10449	2.1
139.11145	7.0
141.06998	1.6
142.08638	20.4
144.05693	2.0
145.10139	9.0
146.06007	1.8
147.98128	1.7
151.11186	51.3
157.12300	2.3
159.08067	4.9
159.11647	2.7
161.02922	2.9
169.10008	2.1
169.12250	51.7
170.08133	3.8
170.12645	1.9
172.05101	2.3
172.95245	2.2
182.03401	1.7
187.03981	2.7
187.06038	3.2
187.07533	11.9
187.09065	1.6
187.11076	10.4
187.13208	7.6
187.14647	9.1
188.09212	3.3
190.96176	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	2,6-Dimethyl-3,6-octadiene-1,2,8-triol
Peak:m/z	Relative Intensity
50.21477	1.9
53.03941	6.7
55.01866	9.0
55.05513	16.3
56.05016	2.1
56.96552	3.2
57.03424	5.8
57.07068	4.4
59.05008	26.2
59.06121	3.3
67.05505	42.7
69.03436	16.0
69.07079	13.5
70.77502	6.3
71.04996	48.2
78.51608	1.9
79.05489	22.8
81.03426	15.4
81.07061	80.4
83.04980	7.6
83.08610	8.7
84.04501	20.2
84.08138	2.7
85.02900	7.7
85.06548	59.8
85.96189	1.7
86.09709	2.2
87.04475	11.2
88.02221	10.7
91.05485	46.4
93.07050	100.0
95.04974	12.5
95.08604	14.1
97.02884	4.4
97.06496	4.8
99.04467	4.5
105.07036	47.5
107.08606	31.0
109.02898	2.8
109.06530	9.8
109.10159	42.5
111.08091	28.7
111.22353	1.8
115.05357	1.9
117.07043	3.9
118.06568	2.6
119.08599	2.9
121.10143	4.2
123.08102	3.9
123.11712	22.7
126.22958	2.6
127.03934	4.0
131.08604	12.1
133.09114	3.2
133.10132	65.6
141.07092	2.6
141.71622	2.4
142.12318	2.7
145.06477	2.7
145.10138	11.5
146.99600	2.4
151.11188	37.6
159.06834	2.2
159.08060	7.7
159.11661	7.0
169.12242	18.9
187.06032	4.5
187.07524	18.3
187.11177	9.3
187.13197	4.0
187.14699	10.1
188.09232	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	187.1328
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
53.00326	2.1
53.03935	7.2
55.01867	3.4
55.05510	16.7
55.74892	2.7
56.96549	8.9
57.03429	5.5
57.07066	7.2
58.76200	2.6
61.02921	3.4
67.05170	3.4
67.05505	49.5
69.03428	29.4
69.07067	26.5
69.33466	2.4
69.48184	2.7
70.59660	8.5
71.04993	37.8
71.08631	25.2
79.05492	15.7
80.00410	2.3
81.03421	25.8
81.07056	87.9
83.04980	9.9
83.08595	7.2
84.04510	20.9
84.08131	2.9
85.02897	28.3
85.06528	5.7
85.10183	3.4
87.04463	3.0
88.02235	12.5
91.05473	26.6
93.07066	14.9
95.04973	5.2
95.08608	14.4
97.02907	4.5
97.06502	2.7
98.21429	2.3
98.97567	5.7
99.04424	6.6
99.08092	16.5
103.05492	3.4
105.07030	39.3
107.08581	23.1
109.02889	5.9
109.03842	2.1
109.06519	7.8
109.10159	63.2
109.10900	3.4
113.06000	4.1
114.05463	2.7
115.05351	3.5
116.06264	5.1
116.98613	4.4
117.06980	11.3
119.08585	15.6
123.08062	5.4
123.11684	13.9
127.03927	7.0
127.05846	3.8
128.06239	3.5
128.07076	2.9
129.07004	14.3
130.07779	7.0
131.04892	7.9
131.08557	29.8
133.10152	42.1
134.99684	2.8
141.06973	6.7
141.11691	5.2
141.12743	88.1
143.07477	2.2
143.08575	12.6
144.05717	15.6
144.09320	6.0
145.06500	5.9
145.10127	80.9
146.03201	4.3
146.67419	2.6
149.49123	3.3
149.65001	2.9
151.11191	18.0
157.10124	12.9
157.16054	2.4
158.07254	3.6
158.10869	7.8
158.99641	3.2
159.04385	4.1
159.07036	3.4
159.08095	24.0
159.11694	34.3
166.19719	2.1
169.12288	13.8
172.05203	10.7
172.08830	7.5
172.12498	13.6
177.00684	2.6
187.03888	8.5
187.05988	6.5
187.07544	65.3
187.11177	54.3
187.12947	5.9
187.14822	100.0
188.07072	2.5
188.09174	7.6
188.15115	4.3
190.62115	2.6
207.67870	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	2,6-Dimethyl-3,6-octadiene-1,2,8-triol
Peak:m/z	Relative Intensity
53.03959	8.3
55.05508	7.9
56.05027	2.1
56.96559	6.4
57.03440	2.2
57.07059	1.6
58.06612	2.5
59.04987	3.9
59.06131	2.1
61.02917	3.9
65.03924	1.5
67.05511	10.0
68.20028	1.4
69.03430	46.3
69.07072	21.3
70.06591	1.8
70.76945	3.2
71.04993	31.6
73.02915	1.6
74.06082	1.8
79.05495	17.8
79.16673	1.3
81.03421	70.0
81.07057	100.0
82.03741	1.7
82.06581	1.7
82.07391	2.4
83.04963	7.3
83.08602	3.3
84.04512	15.7
85.02907	16.5
85.06539	2.1
86.09699	3.2
87.04454	1.4
87.08089	1.5
88.02201	6.2
91.05469	5.1
93.07048	6.5
95.04978	3.6
95.08607	7.8
97.02917	9.5
97.06530	8.5
97.10174	2.2
98.97588	5.3
99.02038	1.8
99.04451	6.3
99.08089	3.8
101.05997	1.6
101.07143	1.9
105.07002	4.8
107.08600	13.5
109.02874	25.8
109.06501	5.3
109.10155	23.2
111.08042	4.6
111.11049	1.6
111.11664	8.2
113.05987	1.4
114.05518	2.5
116.98603	3.4
119.01817	2.6
121.10184	3.9
123.08063	4.3
123.11708	20.4
126.05520	1.6
127.03911	10.9
127.05834	1.6
128.02327	3.3
128.07112	1.5
131.08568	5.0
133.10127	4.0
139.11176	7.9
145.05106	2.0
145.10114	5.4
146.06009	2.4
149.60637	1.9
151.11153	14.9
159.08110	2.7
159.11729	3.4
161.04880	1.9
165.04375	1.4
169.12280	6.4
170.06168	1.7
176.05162	3.5
177.00716	3.5
179.05928	1.9
185.05730	7.1
187.06024	12.4
187.07590	4.7
187.11102	3.9
187.14824	6.9
188.07056	3.6
188.09160	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	187.1329
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
52.11131	1.2
52.70741	1.1
53.03931	5.1
55.01868	2.8
55.05510	6.7
57.03421	2.4
57.07063	2.7
59.04981	4.5
59.50579	1.2
60.12789	1.2
60.40601	1.1
67.05178	1.3
67.05505	23.4
67.13308	1.3
69.03425	14.3
69.07065	15.1
69.58071	10.1
71.04992	38.9
71.08611	2.9
73.06560	1.4
74.78497	1.3
79.05485	14.8
81.03416	10.8
81.07056	82.0
83.04988	8.4
83.08610	2.5
84.04498	7.0
85.02912	6.4
85.06538	24.5
88.02204	3.9
88.51888	1.2
89.06048	1.5
90.04232	2.2
91.05481	13.6
93.07050	12.6
95.04971	3.4
95.08600	7.3
97.02872	2.4
97.06522	4.5
97.10151	2.2
98.20780	2.5
99.04440	2.8
99.08109	6.9
105.07037	16.4
107.08594	19.2
109.02862	4.8
109.06494	5.1
109.10155	34.7
111.08060	3.6
111.11700	4.4
112.99970	1.6
113.05983	1.8
115.05444	8.4
117.07040	2.5
118.03701	3.6
119.08589	3.0
121.10153	4.0
121.91103	1.4
123.08075	2.2
123.11700	18.9
125.09686	1.3
125.56891	1.3
127.03894	4.5
127.07509	1.9
128.06160	1.8
129.07008	2.8
131.08569	8.4
133.10129	24.3
139.11183	6.9
141.06989	20.8
141.12744	21.1
144.05714	2.4
144.09346	2.7
145.02872	1.3
145.06543	1.4
145.10130	14.3
146.03156	5.0
151.11176	20.9
157.12236	4.0
159.08067	6.6
159.11688	6.5
169.06442	1.3
169.12227	13.0
172.05174	1.5
184.98842	1.3
187.05975	7.6
187.07536	100.0
187.11134	11.3
187.13120	3.1
187.14813	14.1
188.07831	4.9
188.09319	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03952	1.8
55.05518	4.2
56.96552	1.3
57.07071	2.2
59.05002	1.6
61.02910	0.7
61.31489	0.7
64.73008	0.7
65.03935	1.0
67.05511	4.7
69.03419	1.8
69.07066	15.8
70.65398	2.1
71.04993	22.8
72.08157	1.1
73.98650	0.7
79.05492	16.2
81.07056	100.0
83.04977	5.2
84.04487	1.2
85.06538	1.5
87.08100	1.2
89.06036	1.1
91.05472	1.2
93.07063	2.8
95.04965	2.2
95.08596	2.4
97.06528	5.2
97.10188	1.8
99.08117	6.2
105.07047	1.9
107.08588	10.8
109.06528	2.8
109.10161	15.5
111.08123	2.6
111.11735	7.7
113.05991	0.9
121.10159	3.0
123.11709	19.3
125.09638	0.8
127.03909	1.4
133.10150	3.2
139.11176	9.1
151.11176	11.4
155.03374	0.8
157.12262	4.3
169.12216	7.6
187.13341	3.8
190.21246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03941	1.8
55.05507	4.3
57.07062	1.8
59.04990	1.8
59.69856	0.7
66.99798	0.6
67.05493	4.1
69.03423	1.1
69.06728	1.2
69.07069	17.4
71.03940	1.8
71.04990	26.3
73.06536	1.1
79.05062	1.2
79.05491	15.0
81.07054	100.0
82.07375	1.3
83.04996	4.7
83.08600	0.8
84.04475	0.7
85.06512	1.0
86.09717	0.8
89.06012	1.2
91.05481	2.2
93.07069	4.8
95.04969	1.6
95.08591	3.0
97.06516	7.0
97.10158	1.5
99.08067	5.7
103.12390	0.7
105.07010	1.8
107.08596	13.5
109.06512	3.5
109.10152	18.2
111.08100	3.7
111.11729	8.1
121.10129	2.7
123.08131	1.1
123.11702	22.9
127.07581	1.3
127.11187	1.0
133.10106	3.0
139.11177	8.5
149.21713	0.9
151.11192	14.5
157.12241	6.4
169.12253	7.6
187.13266	1.9
195.82118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.96673	0.9
53.03931	1.7
55.05497	4.1
57.07072	1.9
59.04993	1.9
61.15413	0.9
65.03937	1.0
67.05500	6.2
69.03408	2.2
69.07066	14.8
71.04995	24.1
71.50472	1.7
78.96932	0.9
79.05486	18.3
81.03396	1.1
81.07056	100.0
82.07368	1.4
83.04978	5.4
83.08611	1.0
84.04479	1.7
84.08115	2.2
85.06538	2.6
86.09708	1.9
91.05464	2.3
93.07021	4.3
95.04968	1.8
95.08589	2.6
97.06538	5.3
97.10197	1.8
99.04485	1.0
99.08091	3.7
101.06032	0.9
105.07011	2.8
107.08600	11.9
109.06511	3.0
109.10149	18.3
109.10833	1.7
111.08069	1.9
111.11715	7.9
112.29003	0.9
113.06039	1.0
121.10139	2.7
123.11708	18.9
127.07569	1.1
131.08574	1.0
133.10121	4.0
137.09061	0.9
139.11182	7.4
151.11198	13.4
157.12204	4.7
159.08086	1.1
161.66003	1.0
169.12236	7.2
187.13229	2.6
187.14784	1.2
197.41869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03949	2.2
55.05514	9.2
56.96567	3.7
57.03444	1.9
57.07069	4.2
59.04991	3.6
61.49086	1.5
61.90820	1.7
63.55860	1.3
65.03946	2.0
67.05503	23.9
69.03434	6.4
69.07068	18.1
71.04993	48.6
71.26501	1.6
72.08159	11.5
73.06550	1.9
79.05492	20.3
81.03411	6.8
81.07058	100.0
82.06573	2.9
82.07373	1.6
83.04986	7.4
83.08601	3.0
84.04499	5.6
84.08149	3.5
85.02912	2.5
85.06065	0.9
85.06541	32.9
86.09702	3.8
88.02223	3.1
91.05473	16.0
93.07052	11.1
95.04966	5.4
95.08607	7.8
97.06538	8.9
99.08097	5.3
105.07034	15.3
107.08601	25.2
109.06533	6.0
109.10156	35.3
111.08074	3.1
111.11707	6.0
113.05981	2.1
121.10172	2.0
123.08065	2.9
123.11723	22.4
125.09754	1.7
127.03888	1.8
127.07539	1.8
127.08660	2.2
129.07025	1.8
129.10249	2.4
131.08562	4.8
133.10135	31.7
139.11201	10.5
142.08670	6.6
143.01982	2.2
145.10121	4.8
151.11177	29.5
151.12325	2.1
157.12238	4.9
159.08183	2.6
161.03006	1.9
169.12257	16.1
187.03999	2.2
187.06067	1.9
187.07544	7.7
187.11041	2.6
187.13287	2.7
187.14850	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
51.23584	1.1
51.27074	0.9
53.03952	2.6
55.05510	6.9
56.96566	3.9
57.03436	1.7
57.07064	1.9
59.04994	3.4
60.04516	1.4
60.15599	1.1
61.02938	1.9
65.35126	1.1
67.05510	8.2
69.03420	4.8
69.06719	1.5
69.07069	19.6
70.06583	2.1
71.04996	31.0
71.41338	2.3
72.05301	1.0
72.08150	2.5
76.38900	0.9
79.05495	18.1
81.03432	5.2
81.07061	100.0
83.05002	6.1
83.08617	2.0
84.04504	8.6
84.89684	1.1
85.02898	4.3
85.06531	2.8
87.08115	1.3
88.02199	3.4
89.06030	1.3
91.05500	3.6
93.07055	5.5
95.04966	2.6
95.08609	4.7
96.08057	1.3
97.06533	7.4
97.10160	1.8
98.97580	1.8
99.04464	2.2
99.05551	1.3
99.08086	5.5
101.88046	1.0
105.07030	2.7
107.08593	13.4
109.06508	3.5
109.10156	28.6
110.10519	0.9
111.04433	1.0
111.08092	3.3
111.11716	7.9
113.05994	1.0
116.98650	1.3
118.06547	3.5
119.01842	1.9
123.08071	2.1
123.11713	23.4
125.09650	1.9
127.03938	1.7
127.07577	1.1
127.08642	1.5
128.02310	2.9
130.88208	1.0
131.08580	1.7
133.10136	3.6
134.99614	1.4
137.02864	1.9
139.11180	8.3
140.82793	1.0
145.10030	1.1
146.06020	3.9
151.11189	16.9
157.12253	4.8
159.08031	2.5
169.12236	7.0
173.00766	1.6
175.63261	1.0
176.05171	2.0
181.02942	1.2
187.03911	1.2
187.05986	2.5
187.07663	3.0
187.11105	1.8
187.13240	2.6
188.07056	1.3
188.09213	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05499	3.1
56.96553	2.3
57.03442	1.0
57.07080	1.9
61.02938	0.8
66.98346	0.6
67.05488	2.1
69.03431	4.4
69.07063	1.1
71.04978	1.7
71.59394	0.9
71.59744	1.0
79.05490	4.2
81.03428	5.2
81.07046	3.1
83.04964	0.7
83.08611	1.4
84.04507	10.5
85.02900	5.0
87.04465	1.5
88.02219	6.2
91.05485	9.3
93.07064	1.9
95.04966	1.2
95.08610	1.7
97.02868	1.9
99.04453	1.3
103.05493	1.5
104.90826	0.8
105.07031	11.8
107.08606	1.8
109.02895	1.9
109.10208	0.8
115.05466	5.3
116.06235	1.2
117.07031	28.6
118.03691	0.9
119.08611	5.2
119.51846	0.9
123.08066	1.4
126.05543	1.3
127.03888	1.3
128.06187	5.0
128.97876	1.4
129.07040	9.3
130.07787	4.4
131.04926	5.6
131.08577	23.3
133.06511	2.6
133.10130	1.4
137.98386	2.2
140.48624	0.9
141.07004	19.1
142.07788	1.2
143.08575	4.6
144.05724	7.4
144.09340	4.9
145.06488	12.2
145.10132	29.0
146.03177	3.2
146.07225	1.3
150.48976	0.7
151.07535	1.4
153.07051	4.1
154.07782	48.0
155.06046	1.1
157.06497	5.7
157.10135	3.2
158.07289	22.2
158.10901	1.2
159.07053	1.0
159.08067	26.5
159.11703	12.6
167.08623	1.5
168.09377	1.0
169.07700	2.9
169.10133	90.8
170.10442	2.0
171.08052	8.9
172.05182	1.4
172.08835	18.2
172.12465	3.0
173.00980	1.0
173.02419	3.6
176.04666	1.3
186.18225	0.9
187.03996	1.9
187.05997	1.8
187.07597	15.6
187.11195	100.0
187.14798	25.3
188.04652	0.9
188.09225	2.0
188.11597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31783	0.3
53.03942	0.6
54.42169	0.3
55.01857	0.4
55.05504	1.4
56.96579	0.3
57.07063	1.0
59.18018	0.2
65.03938	0.4
65.98243	0.3
67.05499	2.2
69.03431	1.0
69.07056	1.1
71.17580	0.3
71.17911	0.6
78.04725	0.3
79.05495	2.9
81.03415	2.1
81.07063	3.7
83.04980	0.4
83.08624	0.6
84.04509	0.8
85.02905	0.6
88.02204	1.2
91.05477	9.3
93.07047	2.7
95.04950	0.8
95.08588	1.4
98.21449	0.3
99.04417	0.5
103.05476	1.2
105.07034	13.0
107.04951	2.0
107.08611	0.9
109.10163	0.3
115.05445	3.0
116.06239	1.1
117.07023	19.3
119.08585	19.7
127.03890	0.3
128.06239	2.2
129.07010	11.0
130.07793	5.5
131.04927	1.9
131.08571	23.9
133.06482	0.6
133.10144	1.4
141.06981	3.5
142.07774	2.6
143.08562	9.2
144.05678	0.4
144.08197	0.3
144.09343	9.2
145.06480	4.3
145.10126	62.9
146.10431	0.8
147.08008	0.4
154.07791	2.0
157.06540	0.9
157.10139	6.5
158.07301	1.7
158.10921	5.3
159.08099	2.4
159.11697	26.8
164.21611	0.3
169.10117	2.4
170.10971	0.3
172.08836	7.3
172.12497	4.3
185.13283	0.5
187.07668	7.4
187.11194	100.0
187.14809	52.0
188.09270	0.3
188.11526	2.2
188.15186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.2
51.54298	0.1
52.76981	0.1
53.03951	0.5
54.47986	0.1
55.01873	0.6
55.05506	0.9
57.03441	0.2
57.07075	2.2
60.63841	0.1
65.03944	0.4
67.05502	2.7
67.05868	0.2
69.03417	0.3
69.07063	0.9
71.17944	0.2
71.18258	0.1
77.03907	0.2
79.05490	2.6
81.03416	1.2
81.07055	4.2
83.08626	0.2
84.04473	0.2
88.02216	0.5
91.05479	9.2
92.05817	0.1
93.07047	2.6
95.04973	0.7
95.08604	1.3
103.05448	1.1
103.71154	0.1
104.06254	0.1
105.03403	0.1
105.07030	13.9
106.07384	0.2
107.04935	1.7
107.08599	1.2
109.10126	0.2
113.00021	0.2
114.69512	0.1
115.05450	2.6
116.06241	1.4
117.07015	20.4
118.07354	0.3
119.08578	20.2
120.08898	0.2
121.06472	0.2
121.10155	0.2
127.05457	0.2
128.06210	2.7
129.06999	10.6
130.07799	6.2
131.04916	2.0
131.08568	23.6
132.08939	0.3
133.06464	0.4
133.10127	1.9
141.06972	2.0
142.07788	2.2
143.08565	10.4
144.05693	0.4
144.09343	9.6
145.06494	3.6
145.10120	79.7
146.07256	0.4
146.10434	1.3
147.08051	0.3
147.11725	0.2
153.06944	0.3
154.07791	1.6
155.06204	0.2
156.09267	0.2
157.06491	0.9
157.10127	7.4
158.07278	1.5
158.10910	6.2
159.08081	2.9
159.11693	31.0
160.12015	0.7
167.08627	0.2
169.07748	0.2
169.10107	2.3
170.10847	0.3
171.08067	0.4
171.11613	0.3
172.08830	7.7
172.12482	5.8
173.09187	0.2
173.13245	0.6
185.13303	0.5
187.11192	100.0
187.14803	70.4
188.11514	2.5
188.15172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01875	0.5
55.05497	1.0
57.07070	2.2
65.03922	0.3
67.05513	2.4
69.03409	0.5
69.07059	0.8
71.60583	0.8
74.57648	0.3
76.66447	0.3
79.05495	2.5
81.03417	1.6
81.07056	3.9
85.27607	0.3
88.02187	0.4
89.42495	0.4
89.51469	0.3
91.05478	8.7
93.07028	2.1
95.04949	0.8
95.08620	1.3
103.05496	0.7
105.07036	13.3
107.04933	1.9
107.08595	1.4
113.00036	0.4
115.05434	2.2
116.06239	1.1
117.07021	19.2
119.08584	19.8
120.08941	0.5
128.06192	2.5
128.88905	0.3
129.06021	0.4
129.07001	11.3
130.07799	6.1
131.04913	1.9
131.08574	20.8
131.15393	0.3
133.10123	1.6
141.06966	2.2
142.07796	2.9
143.08565	9.7
144.09352	9.6
145.06488	3.8
145.10124	77.6
146.07202	0.4
146.10466	0.4
153.06938	0.4
154.07774	1.6
157.06459	0.6
157.10136	7.1
157.11311	0.6
158.07289	1.4
158.10916	6.3
159.08090	3.2
159.11700	30.3
160.12038	0.8
169.10133	2.0
171.08095	0.4
172.08849	7.3
172.12492	5.9
185.13251	0.7
187.11194	100.0
187.14813	68.3
188.11494	2.4
188.15239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
51.20720	0.3
53.03943	0.5
55.01862	0.4
55.05511	1.0
57.07082	1.7
64.44058	0.2
65.03936	0.5
67.05512	2.3
69.03431	1.1
69.07074	0.7
70.93843	0.3
70.94219	0.8
74.72243	0.3
79.05501	2.7
81.03423	1.9
81.07059	4.3
84.04512	0.7
85.02898	0.3
88.02222	1.4
91.05488	8.6
93.07050	2.3
95.04975	0.8
95.08614	1.2
99.04429	0.3
101.43425	0.3
103.05483	1.1
105.07037	12.3
107.04978	1.5
107.08619	1.9
109.02889	0.5
109.10204	0.3
113.00011	1.0
115.05444	2.6
116.06264	1.2
117.07027	18.9
119.08587	18.5
120.08965	0.3
127.03886	0.3
127.05506	0.2
128.06227	2.4
129.07013	9.8
130.07799	5.4
131.04945	2.1
131.08577	22.1
133.06435	0.3
133.10143	2.1
141.06975	2.2
142.07777	2.5
143.08566	9.2
144.05714	0.7
144.09367	9.4
145.06477	3.1
145.10130	73.5
146.07318	0.4
146.10527	0.8
147.08109	0.3
153.06949	0.4
154.07782	1.4
157.06523	0.7
157.10147	6.9
158.07309	1.3
158.10922	6.4
159.08112	3.0
159.11703	30.9
160.12054	0.5
169.10098	2.7
170.11006	0.4
171.08037	0.5
172.08844	6.6
172.12502	5.3
185.13281	0.4
187.07733	3.7
187.11203	100.0
187.14819	70.1
188.11499	2.0
188.15219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63301	0.3
53.03953	0.4
55.01858	0.5
55.05502	1.1
57.07078	2.4
65.03938	0.4
65.41075	0.3
67.05502	2.5
69.03419	1.2
69.07053	0.9
70.86659	0.4
70.87005	0.7
71.04970	0.3
79.05495	3.0
81.03412	2.3
81.07058	4.0
84.04485	1.1
85.02908	0.4
88.02201	1.4
91.04908	0.5
91.05479	9.3
93.07044	2.9
95.04965	0.8
95.08606	1.6
103.05473	1.2
105.07030	14.7
107.04956	1.6
107.08582	1.2
109.02838	0.4
113.00001	0.6
115.05430	2.5
116.06221	1.2
117.07018	19.5
119.08578	19.8
121.06495	0.4
127.03882	0.6
128.06218	2.8
129.07004	10.0
130.07790	7.0
131.04918	2.2
131.08566	24.3
133.06470	0.6
133.10156	1.9
136.95578	0.3
141.06961	2.3
142.07774	1.9
143.08568	9.6
144.05673	0.4
144.09352	9.9
145.06487	4.0
145.10121	83.3
146.07307	0.4
146.10495	1.3
154.07744	1.6
157.06483	1.2
157.10132	7.6
158.07294	1.8
158.10904	5.6
159.08083	3.4
159.11693	31.3
160.12035	0.6
169.10118	1.9
172.08839	7.5
172.12463	5.6
173.13248	0.5
185.09653	0.3
185.13422	0.3
187.07718	3.2
187.11191	100.0
187.14809	78.7
188.11499	2.0
188.15239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05497	2.7
56.05025	1.0
56.96564	1.0
57.07064	1.0
57.64410	0.7
61.02910	0.9
65.53469	0.7
67.05499	1.8
69.03431	3.4
71.04974	0.9
71.33854	1.2
75.72819	0.7
79.05479	2.3
81.03423	4.3
81.07061	1.6
83.04993	0.9
83.08607	1.0
84.04053	0.8
84.04510	8.7
85.02911	2.1
85.34311	0.7
87.04455	1.1
88.02233	4.5
89.76276	0.7
90.04221	0.8
91.05481	6.5
91.76810	0.7
93.07031	1.3
95.04950	1.6
95.08604	1.5
97.02857	0.9
99.04454	1.5
103.05479	0.9
103.34112	0.7
105.07036	9.2
107.04954	1.1
109.02883	0.8
109.10178	0.7
110.06016	1.1
115.05443	6.9
116.06233	1.7
117.06218	1.2
117.07027	23.1
117.07858	1.6
118.03727	1.6
119.08549	3.3
126.05553	0.9
127.03904	1.1
128.06264	3.6
129.06998	8.0
130.07819	3.6
131.04933	4.3
131.08566	18.0
133.06464	2.5
133.10123	1.0
133.54900	0.6
137.98373	0.9
141.06984	18.7
142.07736	0.7
142.88512	0.6
143.08549	2.4
144.05730	5.9
144.09320	3.3
145.06497	12.4
145.10120	14.1
146.03191	2.5
146.07280	0.8
149.49153	1.2
151.07550	0.9
153.07016	5.3
154.07774	43.8
155.08109	1.0
157.06476	4.5
157.10065	0.9
158.07271	20.2
159.08063	24.5
159.11688	8.4
160.08522	0.9
167.08537	1.8
169.10130	100.0
170.10487	2.2
171.08047	7.2
172.05290	1.1
172.08830	18.3
172.12485	1.7
173.00784	1.0
173.02367	1.9
179.00887	0.7
187.03935	1.3
187.05922	2.4
187.07596	9.3
187.11188	88.8
187.14771	13.4
188.09250	1.2
188.11534	1.6
196.64754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0754
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03953	0.1
67.05486	0.2
69.03433	1.0
69.07018	0.2
71.04978	0.2
79.05515	0.2
81.03416	1.0
81.07060	0.4
83.08627	0.2
84.04505	0.5
85.02908	0.7
88.02208	0.7
89.18276	0.2
91.05491	1.1
93.06977	0.1
95.08595	0.2
98.20796	0.4
99.04469	0.2
105.07039	0.5
107.08620	0.2
109.02912	0.4
115.05456	9.5
116.06284	0.3
117.07021	0.7
118.36438	0.2
119.08554	0.3
123.08115	0.2
127.03923	0.2
128.06241	0.3
129.06990	0.6
131.04909	0.2
131.08559	1.9
133.09982	0.2
141.06993	24.0
142.07336	0.6
143.08617	0.2
144.05716	1.9
145.06473	0.6
145.10124	1.8
157.10115	0.2
159.08099	1.3
159.11691	0.6
160.39032	0.2
169.05188	0.2
169.06413	0.8
172.05179	0.8
187.07549	100.0
187.14793	1.7
188.07852	2.6
188.09312	0.2
208.91367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03944	0.4
55.01868	0.3
55.05502	1.3
56.65585	0.3
56.96552	0.4
57.07081	0.5
59.06105	0.4
67.05509	2.1
69.03439	2.0
69.07053	0.5
71.04231	0.7
71.04990	0.8
79.05474	1.0
81.03426	2.5
81.07056	4.6
83.04981	0.5
83.08607	0.9
84.04515	1.7
85.02907	1.6
85.06534	0.6
88.02230	1.9
91.05461	2.4
93.07028	0.5
95.04935	0.4
95.08600	1.0
97.02889	0.4
99.04456	1.0
105.07048	1.7
107.08572	0.7
109.02872	0.7
109.10121	0.7
115.05454	9.8
116.06207	1.1
117.07038	1.8
119.04984	0.3
119.08569	1.2
122.84533	0.3
123.08069	0.6
123.11691	1.6
126.05567	0.3
127.03921	1.0
128.06212	1.0
129.07013	2.1
131.04890	0.9
131.08572	5.4
133.10124	1.1
134.06453	0.3
141.06995	22.7
141.12756	0.3
142.07384	0.6
143.08545	1.0
144.05711	4.0
145.06454	1.1
145.10123	7.2
148.87721	0.3
151.11180	0.8
156.05692	0.5
157.10135	0.6
158.07249	0.3
158.10925	0.4
159.06883	0.5
159.08080	6.5
159.11673	2.6
169.06497	1.1
169.10068	0.4
172.05211	1.7
172.08838	0.8
172.12498	0.9
173.00777	0.6
187.07550	100.0
187.14836	6.0
188.07845	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0754
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03926	0.3
54.28022	0.2
55.05489	0.7
56.05012	0.5
56.96556	1.3
57.03434	1.2
57.07059	0.9
61.02916	0.4
67.05486	0.9
69.03436	2.0
69.07056	0.6
69.83058	0.5
69.83474	0.9
71.04974	0.7
76.33706	0.2
79.05488	0.8
81.03413	2.4
81.07069	2.0
83.04966	0.7
83.08627	0.5
84.04042	0.4
84.04505	5.9
85.02898	1.9
85.06565	0.3
87.04465	0.3
88.02209	1.8
91.05479	2.3
93.07037	0.6
95.04957	0.3
95.08583	1.0
97.02872	0.5
97.06552	0.3
98.20792	0.2
98.79105	0.2
99.04440	0.7
100.07599	0.3
102.81702	0.2
103.05461	0.5
105.07015	2.3
107.08586	0.7
109.02864	0.7
109.10150	0.7
111.04382	0.3
112.03931	0.3
115.05441	10.0
116.06274	0.4
117.07011	2.7
119.08577	1.4
119.97316	0.3
121.06557	0.3
123.08072	0.3
123.11678	0.3
126.05456	0.4
127.03920	0.7
127.05885	0.3
128.06226	0.5
128.07071	0.8
128.97913	0.6
129.05492	0.3
129.07014	0.8
130.07744	1.0
131.04909	0.3
131.08557	5.8
133.10109	0.8
137.98344	1.0
140.48598	0.5
141.06985	25.1
142.07381	0.4
143.08543	1.5
144.05669	1.0
144.09317	1.0
145.06418	1.1
145.10123	14.6
149.49136	0.8
154.07758	1.1
157.10107	1.4
158.07263	0.9
158.10889	0.8
159.08038	1.9
159.11687	3.7
169.06480	1.1
169.10150	2.4
172.05202	0.5
172.08829	0.8
172.12483	1.8
173.00850	0.4
173.77097	0.2
180.19080	0.2
187.07541	100.0
187.11046	6.2
187.14819	12.6
187.22478	0.3
188.07867	2.7
188.09235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59760	0.3
53.03931	0.6
55.05509	4.9
56.05027	1.1
56.96558	0.7
57.03438	0.8
57.07071	0.7
58.06597	7.1
59.06114	0.8
60.04514	1.1
67.05505	9.1
68.05033	0.4
69.03417	1.1
69.07066	5.8
70.06587	1.7
71.01293	0.4
71.04642	0.5
71.04992	4.9
72.08154	1.4
76.05224	0.3
77.70639	0.4
79.05472	1.2
81.03421	1.2
81.07055	10.8
82.06593	0.3
82.07375	0.4
83.04958	0.7
83.06091	0.6
83.08627	3.1
84.04512	1.7
84.08151	0.7
85.02900	3.1
85.06527	1.4
85.07644	0.4
86.06049	0.4
86.09718	0.5
88.02213	0.4
89.03932	2.2
91.05487	1.1
93.07037	2.4
95.04953	0.5
95.08607	15.1
97.02892	0.8
97.06546	0.4
98.06013	0.7
98.09694	0.6
98.97593	0.7
99.04443	0.7
99.05585	0.6
99.08109	1.1
101.07098	0.5
103.05450	0.4
105.07022	0.5
107.08611	0.9
108.08903	0.4
109.02847	0.8
109.06523	0.3
109.07635	0.5
109.10161	8.2
111.09200	0.6
112.07578	0.6
113.07118	0.4
114.05524	4.3
116.10736	0.9
116.49599	0.3
116.98586	0.5
117.03387	4.4
118.05537	0.3
121.00759	0.9
121.01652	0.7
123.08033	0.4
123.11691	1.0
126.05521	3.2
127.03916	0.8
127.08622	0.7
128.07079	0.5
130.06534	0.4
130.08636	0.4
131.04930	0.6
131.08517	0.6
134.99672	0.7
135.11740	0.6
136.93141	0.8
139.01801	3.3
139.02728	0.4
140.07074	1.0
140.14328	0.5
144.07668	0.4
145.02844	6.9
145.10094	0.7
146.03352	0.6
154.94127	2.1
156.06482	0.4
158.06021	1.7
158.08231	0.5
163.01819	3.4
163.03972	1.4
164.02118	0.4
169.09776	0.6
169.15877	0.4
171.11349	0.3
172.95241	7.9
181.02885	9.0
186.03546	0.7
186.05519	2.9
186.07571	3.1
186.18530	100.0
187.07675	1.9
187.11198	0.5
187.14844	0.9
187.18915	1.9
190.96281	5.8
195.96880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1325
Annotation	Chamazulene
Peak:m/z	Relative Intensity
51.89855	0.4
55.05508	1.7
56.96568	0.7
60.16533	0.4
60.95850	1.0
67.05499	0.5
69.07069	1.7
69.93665	1.8
69.94079	0.7
71.04975	0.6
79.05496	1.6
81.07059	1.3
82.56447	0.3
83.08614	0.6
85.02929	0.5
91.05486	1.5
93.07038	1.5
97.06544	0.4
98.21401	0.7
102.66852	0.4
102.96863	2.9
105.07040	2.4
107.08589	0.4
109.02828	0.4
112.07608	0.6
114.05559	1.0
115.05479	1.5
117.07018	1.2
119.08576	1.1
120.97897	4.4
125.02396	0.5
126.05559	1.0
127.97352	0.4
128.06229	5.6
129.07022	11.1
131.08568	1.2
134.01445	0.4
138.98940	7.7
139.01834	0.8
139.07509	0.5
140.07047	0.6
141.06990	4.8
142.07788	18.3
143.08572	21.2
143.99475	0.8
144.09261	0.9
152.06277	0.7
154.07878	0.4
154.23288	0.4
155.08565	18.1
156.09355	8.9
156.99969	1.8
157.10133	34.9
158.10512	0.9
162.00563	2.4
163.01738	0.5
167.07108	0.6
167.08595	1.2
169.10152	2.6
170.10918	65.0
171.11371	2.6
180.01680	0.4
181.02913	1.3
183.11703	0.9
185.02167	0.6
185.09692	12.3
185.13269	100.0
186.07683	0.8
186.10150	0.4
186.13660	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01437	2.0
50.07207	2.0
56.96559	10.4
57.03442	2.8
69.03445	3.2
70.06570	3.6
70.84909	2.5
71.58345	3.4
71.58725	3.2
73.02908	2.4
81.03395	2.8
84.08111	3.6
84.21378	2.2
85.02910	4.2
86.09698	8.8
97.02905	3.1
101.00867	8.8
102.00935	11.2
102.96843	18.2
103.00600	2.4
104.28990	2.4
116.76861	2.4
116.98602	4.5
119.01917	48.5
120.02000	100.0
120.97887	16.4
121.01670	24.3
127.03931	5.5
131.01903	8.1
133.03441	2.9
134.99609	2.4
137.02969	20.1
138.03052	45.0
138.98917	14.9
139.02667	12.9
142.03496	5.3
143.01859	3.7
143.03604	27.4
144.02165	4.8
144.03273	11.7
144.05063	3.3
145.03490	4.8
150.01794	2.4
155.01837	4.1
157.03482	4.0
160.02817	3.4
161.02980	9.8
161.04716	10.2
162.03104	17.3
162.04378	6.8
162.06169	3.0
163.02657	3.2
173.02928	7.5
179.03960	3.8
180.04112	21.2
181.03705	3.4
182.99663	2.8
185.03018	7.5
185.04588	3.3
185.07634	2.8
201.00705	6.8
203.05870	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	185.079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
53.31931	1.6
53.68988	1.8
55.01869	6.3
55.05511	18.7
56.05033	4.3
56.96561	7.8
57.03429	7.5
57.07076	100.0
58.06581	3.1
58.07406	5.6
58.99863	3.7
59.04996	4.2
59.06116	9.0
60.04530	1.9
60.95860	1.5
67.05511	9.3
68.02644	3.9
68.05022	2.2
69.03435	8.8
69.04582	1.5
69.07065	17.1
69.56818	13.1
70.06590	11.0
71.04996	11.0
72.08153	17.4
75.05622	1.9
77.00901	10.2
79.05492	11.1
80.05032	2.5
81.03416	11.2
81.07050	13.3
82.06599	3.0
83.04984	9.6
83.06098	7.9
83.08617	5.0
84.04508	7.0
84.08132	7.9
85.02905	15.6
85.06541	64.6
85.07649	2.7
86.03672	1.9
86.06055	3.6
86.09700	13.5
87.04441	4.9
88.07661	2.1
91.05460	4.9
93.07049	20.7
95.01955	4.4
95.04971	11.8
95.06116	2.5
95.08614	13.2
96.02078	1.7
97.00825	2.0
97.02895	4.2
97.06543	10.1
97.07666	6.1
97.10165	2.2
98.06068	4.8
98.20842	3.4
98.97586	2.9
99.04435	4.7
99.05561	3.2
100.02484	7.8
101.00894	3.4
102.96885	8.9
104.45774	1.8
105.07035	5.6
107.08586	15.4
109.02869	6.2
109.06536	6.4
109.07651	7.0
109.10162	5.1
110.07194	7.8
111.04453	7.2
111.05609	3.6
111.08096	6.6
111.09189	4.4
111.11656	1.6
112.07638	2.1
112.08731	1.9
113.06005	13.1
113.53196	4.7
114.05526	16.6
114.06689	2.2
115.02436	4.5
115.03911	2.4
116.98603	4.1
118.01170	2.0
118.03528	4.2
119.01915	25.7
120.02036	14.0
120.97899	13.6
121.00813	3.2
121.01664	6.0
121.06529	5.6
121.10147	20.4
122.53728	5.7
122.63266	1.7
123.08037	4.4
125.02353	6.8
125.06001	7.0
125.07115	5.3
125.09631	13.6
126.05501	14.1
126.06338	2.1
126.07482	1.7
126.09122	1.8
127.03918	3.4
127.08670	8.1
128.06258	4.9
129.06987	11.0
131.01918	3.6
131.08554	6.3
132.04474	2.4
133.03473	4.7
134.99660	7.4
137.02963	5.7
138.03079	8.7
138.05554	3.5
138.06593	3.8
138.98938	21.9
139.01746	11.6
139.03935	4.5
139.07552	4.9
139.11169	13.6
140.07068	6.7
141.06952	2.7
142.03522	5.7
142.07739	9.5
142.09755	4.8
143.01942	1.9
143.03508	5.4
143.08563	15.9
144.09395	2.5
145.03511	11.0
149.06065	2.4
149.09619	6.1
153.02437	2.1
153.29218	2.0
155.08540	2.2
156.09238	2.5
156.99979	6.6
157.03514	18.6
157.04773	2.6
157.10129	16.2
158.03732	2.3
158.99533	1.8
161.02983	5.1
161.97186	2.0
162.00519	3.4
162.03113	2.2
162.04379	3.5
163.01788	15.0
163.04529	1.9
167.03368	3.6
167.07016	4.8
167.08391	3.1
167.10670	12.7
168.05061	8.6
168.06398	2.6
168.07713	5.0
168.11339	7.5
170.10905	7.9
173.57166	2.5
175.04552	5.7
181.02867	34.7
182.57581	2.3
185.02919	9.7
185.04420	6.3
185.05908	4.4
185.07997	2.9
185.09375	3.6
185.11716	3.8
185.13127	27.9
186.03276	3.1
186.07588	8.7
203.03955	15.0
203.56635	2.2
204.04192	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	184.0731
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05014	0.7
60.07880	1.0
60.08158	15.4
68.39558	0.7
71.07360	7.3
73.88933	0.6
86.09700	72.3
98.20760	2.7
98.98457	12.0
101.95007	2.6
102.96860	0.8
104.10716	2.4
119.96099	1.6
120.97893	1.3
124.99994	61.8
126.77976	0.7
137.97107	1.3
138.98958	0.9
143.01018	1.7
170.10881	0.8
184.07326	100.0
185.07655	1.7
185.13202	1.2
198.97487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0969
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
53.03943	0.6
54.03476	0.3
55.01874	0.5
55.05518	1.1
56.05026	0.5
56.96569	0.4
57.03429	0.7
58.02969	2.4
58.06599	0.7
59.06131	0.8
60.04528	16.6
67.05511	2.0
68.05027	0.9
68.05843	0.3
69.03427	1.0
69.07069	100.0
69.97646	1.5
70.06599	0.9
70.07400	1.0
71.04986	0.4
71.08635	3.3
72.08160	1.1
73.02916	0.9
79.05505	0.8
81.03438	0.6
81.04534	0.4
81.07063	1.1
82.06596	1.0
83.04976	0.6
83.06107	0.8
83.08617	0.4
84.04498	0.6
84.08159	0.4
85.02901	0.7
85.07706	0.4
86.02429	15.1
86.06079	1.1
86.09712	0.6
92.05784	0.3
93.07059	0.9
94.06647	0.3
95.04990	1.7
95.06093	0.5
95.08607	0.8
96.04527	1.6
96.05290	2.3
96.08137	1.1
97.02887	1.2
97.06534	7.2
97.07646	1.1
98.06077	0.5
98.07244	0.3
98.20770	0.4
98.98470	0.5
99.05581	0.3
100.07625	0.8
101.00874	0.8
101.07151	0.3
101.95035	0.8
102.21831	0.3
102.96898	0.5
104.10716	0.3
105.03416	0.3
105.07034	0.5
106.03761	0.4
107.08611	1.3
109.02824	0.4
109.07635	0.7
110.06076	0.6
110.07202	0.4
110.09669	0.9
110.10412	0.4
111.02889	0.4
111.04433	0.5
111.09209	0.4
114.09181	0.6
119.01926	4.2
119.96076	0.5
120.02107	0.3
120.97890	0.6
121.10160	0.6
122.06080	0.3
123.04413	0.7
123.08105	0.4
123.09220	0.3
124.04754	2.1
124.07587	0.7
124.08592	0.8
125.02353	0.7
125.06094	0.4
125.07105	1.0
125.09645	0.8
126.05495	0.3
126.07443	0.3
127.03952	0.4
127.08688	0.4
128.06210	0.5
128.07050	0.3
129.07097	0.3
130.55299	0.4
131.01915	0.6
136.06194	0.9
136.08684	0.3
137.02989	2.1
137.97128	1.0
138.05508	0.6
138.06458	0.4
138.09135	6.6
138.10030	0.3
138.98923	1.0
139.03841	0.3
139.07506	0.4
139.08565	0.4
139.09720	0.3
139.11084	0.4
141.05049	0.8
141.06531	0.4
142.03510	1.1
142.08650	0.6
142.09743	0.4
143.01842	0.3
145.03474	1.1
148.07578	0.4
149.02979	0.5
149.09619	0.4
154.09781	0.4
155.98125	0.7
156.07391	1.0
156.10208	5.3
157.03548	0.4
157.10123	0.5
158.56543	0.6
160.04619	0.5
161.01248	0.4
161.02917	0.9
161.04128	0.3
163.04485	0.4
166.04942	0.6
166.08566	1.4
167.10564	0.3
167.57108	0.4
169.10112	0.7
172.56337	2.7
173.02991	0.4
173.06537	0.6
179.03918	0.7
181.56873	4.7
182.06947	1.2
184.07384	1.9
184.09683	37.6
184.16953	2.3
184.57239	0.4
185.02924	0.4
185.10049	0.8
185.13219	0.7
190.96136	0.4
191.07674	0.4
193.07639	0.9
200.07637	0.9
203.03951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05025	1.2
56.96554	1.4
59.65441	0.9
60.08165	13.9
60.95864	1.6
64.86207	1.0
65.14271	0.9
69.03416	1.2
69.07059	1.0
71.07365	6.0
71.60210	1.7
71.95281	0.8
77.55566	0.9
82.38271	0.8
86.09704	73.1
87.10030	1.1
98.98466	12.6
101.95031	13.3
102.96870	2.6
104.10735	3.3
106.03712	1.5
119.01895	1.6
119.96069	8.1
120.97903	2.2
125.00005	56.6
129.07002	1.7
137.97104	12.0
138.09097	1.8
138.98947	6.3
142.97585	1.0
143.01056	1.6
143.08536	2.0
155.08536	1.6
155.98157	7.3
157.00018	1.8
160.98730	5.3
169.10132	0.9
170.10924	2.3
170.90370	1.1
171.83957	1.0
176.36894	1.1
178.99780	2.8
184.00223	1.7
184.07344	100.0
185.07932	0.9
185.09537	1.7
185.13310	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.4
56.96568	3.0
57.03429	0.5
58.06602	0.4
60.08164	0.6
60.95837	0.4
61.01161	0.3
64.33885	0.3
70.06593	0.6
71.02725	0.8
72.08121	0.4
73.02946	0.3
80.94966	0.7
82.99844	0.6
84.04521	0.5
84.08160	0.4
84.96073	0.4
85.02908	0.8
86.03556	2.3
86.09707	2.9
97.02891	0.4
98.97583	1.3
98.98473	0.4
100.02500	0.5
101.00878	12.9
101.95028	0.9
102.96879	1.0
114.03020	1.0
116.98603	0.6
118.03505	0.6
119.01922	100.0
119.98203	0.3
120.02008	4.3
120.97890	1.3
121.01619	0.5
121.97569	0.9
124.02443	0.8
125.00010	2.0
126.43660	0.3
127.03937	0.4
131.01874	0.3
133.01663	0.5
134.99649	0.4
137.02960	42.0
138.03046	1.4
138.98924	1.0
142.03503	22.3
142.94922	0.5
143.01953	0.9
143.03670	2.5
144.03146	0.3
146.99706	0.4
149.02850	0.3
151.04849	0.4
156.05188	0.5
157.03583	0.5
158.06612	0.3
160.04562	9.1
160.95998	0.3
161.01434	0.5
161.02968	10.2
161.04623	2.2
162.03081	0.3
165.05112	0.8
165.96539	0.9
179.04002	15.8
179.05458	0.8
183.97609	0.8
184.04698	2.2
184.07359	3.2
184.08844	0.4
184.09616	0.3
185.02924	0.3
202.05624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29015	0.2
63.70499	0.2
69.72834	1.5
70.31292	0.3
76.98204	0.3
82.99871	1.0
100.02461	0.4
101.00877	14.7
102.00974	0.7
111.47300	0.2
118.03562	0.4
119.01922	100.0
120.02006	3.9
124.02418	1.7
125.02589	0.3
137.02959	40.2
138.03052	1.4
139.03423	0.3
142.03500	28.1
143.01961	0.5
143.03674	2.3
160.04562	10.3
161.02959	11.7
161.04626	1.6
162.03137	0.3
165.05066	1.1
179.04015	19.8
179.05443	0.8
180.04201	0.6
184.04527	0.7
202.05626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30394	0.4
53.03939	0.6
55.01859	0.8
55.27369	0.4
56.96569	5.2
57.03444	2.5
57.61996	0.4
60.08164	1.0
61.02936	2.9
69.03430	2.7
70.03149	0.8
70.03557	1.6
71.04983	0.5
73.02921	4.5
74.44740	0.4
74.97627	0.4
77.00867	0.4
81.03423	0.9
82.99855	1.0
83.00803	0.6
84.96039	0.5
85.02904	3.5
86.03249	0.6
86.09714	3.9
87.41235	0.4
90.01553	0.4
91.00508	0.4
92.01324	0.7
97.02909	2.6
97.99178	0.5
98.03236	0.7
98.97601	2.6
99.04496	0.5
100.02504	0.4
101.00885	11.7
102.96883	0.5
104.10759	1.9
105.00415	0.4
110.07139	0.4
110.97560	0.5
111.00262	1.4
112.01050	0.6
116.98616	1.2
118.01015	0.8
118.03510	0.6
119.01929	100.0
120.00786	0.5
120.01178	0.6
120.01983	5.1
120.03349	0.5
120.97897	1.0
121.01667	1.3
121.02418	0.6
124.02472	1.3
124.95523	0.5
125.00005	3.2
127.03932	1.8
128.02361	0.9
128.98598	0.6
130.02806	0.5
131.01923	1.7
132.02025	1.1
133.01634	1.4
133.03471	1.0
134.99716	0.9
135.03149	0.6
136.02774	0.6
137.02965	45.4
138.03018	2.0
138.10280	0.5
138.98927	0.9
139.01503	0.6
139.03383	0.7
141.01297	0.6
142.03510	22.9
142.96539	0.5
143.01950	2.6
143.03651	1.5
144.02005	0.9
145.01700	1.0
145.03418	1.5
146.03667	0.6
146.99643	0.8
147.03258	0.5
149.01198	0.5
149.02992	0.5
150.01796	1.2
150.02989	0.6
151.04622	0.4
153.54118	0.4
155.01907	0.7
156.02077	0.7
157.01654	0.4
157.03525	0.4
158.99663	0.5
160.03328	0.8
160.04565	9.8
160.97556	0.6
161.02979	12.8
161.04504	1.3
161.04915	0.9
161.52647	0.8
162.03133	1.6
162.99156	0.4
163.02719	1.6
165.05132	1.2
168.02005	0.5
169.01680	0.6
173.00935	0.4
173.02998	1.3
174.03113	1.4
175.02751	1.5
175.04489	0.6
177.78157	0.4
179.04021	14.5
179.05588	0.9
180.04051	0.6
184.04562	1.6
184.07422	3.5
184.09705	0.5
185.03006	0.9
186.03159	0.7
187.02803	0.5
193.00255	0.8
193.05623	0.5
201.00679	0.6
202.05727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Nordavanone
Peak:m/z	Relative Intensity
53.03933	4.7
55.01856	3.1
55.05310	0.9
55.05515	9.2
57.03432	2.2
57.07072	8.0
59.04997	3.4
59.06094	1.6
65.03949	1.2
65.32581	1.0
67.05509	17.0
69.03431	40.6
69.07069	52.5
70.06590	1.4
71.04981	4.5
71.08611	3.4
71.59288	1.4
79.05495	15.9
81.03397	4.8
81.03793	1.1
81.07055	100.0
83.04978	18.5
83.08595	2.5
85.06538	18.8
91.05460	3.6
93.07034	8.6
93.94686	1.0
95.04970	29.5
95.08606	27.1
97.06519	10.7
97.10161	1.0
98.98469	4.2
99.04457	16.6
99.08095	53.9
105.03391	4.3
105.07030	10.8
107.08584	15.4
107.72132	1.0
109.02917	1.4
109.06514	24.4
109.10150	18.3
111.04423	1.4
111.08085	5.7
113.06018	6.9
117.09123	1.6
119.08579	7.9
121.10143	36.5
122.07196	1.1
123.04433	22.7
123.08066	15.4
123.11710	28.2
125.07128	1.6
125.09627	27.0
127.07542	11.1
135.11707	1.7
137.09636	16.4
137.13293	7.2
139.11176	29.4
140.04669	7.1
147.11690	11.0
155.07013	5.1
155.08473	1.5
163.03914	1.2
165.04393	1.8
165.09099	3.8
165.12735	20.1
183.06502	3.2
183.08070	2.3
183.13802	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	183.0654
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02386	1.2
53.03949	9.6
55.01865	3.1
55.05507	1.0
56.05038	0.8
56.96578	1.0
59.06115	3.0
65.03942	3.8
67.05510	10.2
69.03447	0.8
69.07053	0.9
70.79234	0.8
70.79578	0.8
71.04986	1.6
77.03931	1.8
77.44895	0.5
79.05518	1.1
81.03416	1.9
81.07059	1.9
83.04964	0.8
83.06086	0.6
85.06535	0.7
85.07666	0.7
91.05478	1.7
93.03403	0.7
93.07035	2.3
95.04974	100.0
95.08617	3.3
96.05326	1.5
98.07159	0.6
98.98484	3.4
99.04449	0.7
105.03419	4.0
105.04517	5.0
107.05009	0.7
107.08591	0.7
109.06557	1.1
109.07625	1.3
109.10141	1.1
111.04448	1.6
118.98211	1.0
118.99003	0.6
119.01925	1.3
119.08591	2.1
121.10111	0.7
123.04434	90.8
123.08012	2.5
124.04794	1.4
124.08698	0.9
125.02361	3.9
125.06019	0.6
125.07092	1.5
125.09580	1.4
127.01583	0.7
137.06015	0.9
137.09637	2.6
140.04691	29.3
140.08203	0.9
142.03549	0.8
147.08017	0.9
155.07042	28.8
156.07375	0.8
160.04489	1.0
165.09091	1.6
166.09808	0.7
183.06563	8.6
183.08076	0.6
183.10085	1.5
183.12344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02381	0.6
53.03947	10.8
55.01875	3.6
55.05496	0.8
56.05043	0.6
57.03450	0.6
57.07071	0.5
59.05013	0.5
59.06122	1.1
62.05348	0.4
62.22588	0.3
62.41162	0.4
65.03932	4.0
67.05504	8.6
69.03415	0.8
69.07069	0.8
71.04996	1.3
71.59196	1.0
77.03931	1.4
79.05490	1.2
81.03410	1.4
81.07053	1.7
83.06083	0.6
83.08631	0.5
84.53280	0.4
85.06548	0.7
90.56001	0.4
91.05477	0.8
93.07045	1.3
95.04968	100.0
95.08618	2.7
96.05312	1.0
97.02909	1.0
97.06533	1.4
97.07648	0.5
98.07134	0.4
98.98479	2.2
99.04449	1.3
99.08087	0.6
101.00850	0.5
105.03394	3.4
105.04510	4.5
105.07041	0.8
109.06534	0.9
109.10178	1.7
111.04467	1.2
117.98756	0.4
119.01921	1.9
119.08600	1.9
121.04001	0.4
121.10136	0.6
123.04430	85.3
123.08071	1.5
123.11723	0.9
124.04802	1.3
125.02357	4.3
125.07123	0.9
127.07523	0.6
133.02866	0.6
137.05995	0.8
137.07919	1.6
137.09579	1.1
139.07462	0.5
140.04683	29.9
146.69717	0.4
147.08043	0.7
151.03902	0.7
155.07033	25.4
155.08386	1.3
160.04633	0.7
161.02957	0.8
165.07491	0.9
165.09003	0.9
166.09805	0.5
168.09344	0.7
183.06551	7.9
183.08020	0.6
183.10156	0.8
183.11792	1.7
183.13857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54313	1.9
52.24924	1.5
53.03947	5.6
54.20642	1.5
55.01876	9.9
55.05526	2.1
56.96564	5.9
57.03441	27.8
58.99847	2.8
59.81030	1.7
60.08168	1.8
60.38501	1.6
61.02930	23.5
67.05512	7.2
69.03078	2.3
69.03434	35.2
69.74525	11.8
71.01363	2.2
71.04997	5.7
73.02924	46.4
77.00922	2.7
81.01942	3.0
81.03422	14.7
81.07063	7.5
83.04974	4.2
85.02909	42.4
86.09718	12.3
87.01925	3.0
87.04477	2.8
88.02699	3.6
91.03933	2.8
91.05477	4.4
92.05858	2.2
93.01910	4.3
93.07050	3.1
94.02691	6.0
95.04969	28.2
95.08614	6.2
95.53389	1.8
96.02431	5.3
97.02895	31.6
97.06510	1.9
98.98486	14.3
99.04478	7.9
100.02660	4.4
101.00864	15.6
101.01540	2.1
102.02417	13.5
102.52474	2.3
103.03197	3.1
103.03938	2.1
104.10729	2.4
105.03428	17.4
106.02688	2.1
108.02435	3.5
109.02958	8.1
109.06561	3.7
109.10165	3.7
111.02954	14.9
111.04427	1.9
111.53004	1.8
113.00891	3.1
114.02425	5.6
115.02481	2.3
115.03199	4.1
115.03926	2.6
116.98666	2.2
117.02927	4.2
118.03596	4.3
119.01929	100.0
119.08588	2.1
120.01968	3.6
120.03420	3.9
120.05275	4.5
121.02876	2.3
121.10225	2.1
123.02967	10.1
123.04426	27.9
123.08060	4.9
123.52965	1.9
124.04791	3.9
125.00016	11.3
125.02401	2.0
126.03465	2.0
127.01618	3.7
127.03929	8.0
128.53667	2.1
129.02928	7.4
129.03931	2.1
130.03659	3.9
131.01909	27.4
132.01981	3.5
132.03433	8.7
133.03471	3.5
134.99673	2.5
135.02942	4.1
136.03641	2.2
136.04584	2.8
137.02968	42.9
137.05984	4.5
137.07903	13.2
137.09607	3.1
138.03482	11.4
138.53506	3.2
140.04703	9.0
142.03508	31.8
143.01910	32.5
144.02097	3.0
144.03357	3.9
145.03424	12.4
146.99576	2.8
147.01451	3.8
147.03973	4.9
147.05095	2.4
149.02983	7.2
149.54305	2.2
150.03123	3.1
150.04262	1.9
153.04027	5.2
154.03601	2.0
155.01901	22.4
155.07048	7.7
156.02078	2.2
157.03500	11.9
158.54715	2.4
160.04570	24.0
161.02975	57.3
162.03114	7.0
163.04558	4.4
165.05446	2.2
165.09161	3.7
166.05818	2.6
167.01973	5.0
169.03465	2.2
173.02975	55.3
174.03160	10.4
175.02837	2.6
175.04572	6.6
178.05682	5.6
179.03966	9.0
183.06401	5.7
183.07872	3.8
183.10156	2.4
183.11708	4.0
184.04666	5.6
184.07346	19.5
185.02977	28.5
186.03177	3.1
187.04544	5.5
187.83041	2.0
191.04002	5.6
196.04613	7.2
197.03122	4.4
197.04675	2.1
199.04652	2.8
202.05585	3.1
203.04021	19.1
204.04131	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	183.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01868	6.2
55.05488	1.4
56.96555	1.7
57.03434	19.6
60.08165	2.3
61.02929	7.1
67.05503	3.5
69.03429	14.6
70.06593	1.2
71.01345	1.2
71.04991	2.8
71.07333	1.1
71.57020	1.1
73.02921	19.5
77.00909	1.4
79.05499	1.1
81.03403	5.3
81.07067	2.3
83.04973	3.0
84.04504	1.7
85.02909	16.8
86.09711	12.8
87.04459	1.2
88.02674	1.1
88.62338	1.0
91.05490	2.1
92.05818	2.3
93.07044	2.3
94.02669	2.6
95.04967	18.1
95.08613	2.8
97.02888	23.1
98.97550	0.9
98.98473	6.7
99.04442	5.6
100.02607	1.8
101.00874	11.6
101.02378	1.1
102.02392	5.1
103.02483	1.2
103.03200	1.5
105.00377	1.5
105.03408	5.8
109.02932	4.1
109.06590	1.0
109.10159	4.2
111.02927	6.0
111.53011	1.2
113.00890	1.7
114.02374	1.9
114.85481	0.9
115.02442	1.8
115.03977	1.5
117.02927	1.2
118.03554	2.8
119.01920	100.0
119.08606	1.0
120.02037	1.7
120.03428	1.3
120.05283	2.6
121.02841	1.6
122.02148	1.0
123.02985	5.1
123.04421	16.8
123.08073	1.9
123.11661	1.1
123.74770	0.9
124.02454	1.7
124.04738	3.0
125.00011	7.2
125.02498	1.4
125.18548	0.9
127.01579	1.1
127.03942	7.8
129.02930	2.6
129.03873	1.4
130.03656	1.1
131.01909	16.8
131.02815	1.4
132.03456	3.8
133.03482	4.2
134.89981	0.9
135.02914	2.1
136.03598	2.0
137.02962	42.4
137.05981	2.1
137.07924	8.3
137.09592	1.7
138.03447	5.2
140.04700	4.9
142.03497	37.9
143.01891	11.8
144.03445	2.0
145.03448	6.3
145.04887	1.1
147.01402	1.9
147.03970	2.1
149.02975	4.8
150.03143	1.3
151.04050	1.0
153.03952	2.5
153.07069	1.1
155.01877	11.4
155.07045	5.9
156.02083	1.5
157.03461	7.9
159.05136	1.3
160.04552	30.1
161.02966	26.1
162.03127	2.8
162.04431	1.4
163.04549	1.5
163.61540	1.0
165.03963	1.3
165.05275	3.7
165.07748	1.0
165.09077	1.7
166.05794	2.6
167.01920	2.4
168.09360	1.6
169.03493	0.9
173.02963	24.3
174.03052	3.1
174.04466	1.9
175.03033	1.2
175.04471	4.4
178.05562	8.8
179.03999	10.7
183.06464	4.0
183.07967	1.4
183.10144	1.5
183.11612	2.6
183.15022	1.4
184.04585	4.3
184.07303	12.9
185.02975	15.4
186.03209	2.4
187.04523	1.9
191.04068	3.2
196.04608	1.3
197.02962	4.7
199.04489	1.4
202.05641	2.9
203.03987	9.1
204.04123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03955	0.3
55.01858	0.6
55.05500	0.4
56.96297	0.4
56.96569	6.5
57.03422	1.6
58.06609	0.6
59.07402	0.4
69.03429	1.5
70.17509	1.6
73.02909	1.1
78.95280	0.7
84.04508	1.1
84.96040	0.8
85.02901	1.6
86.09699	0.5
91.05482	25.6
92.05785	0.4
93.07063	0.6
95.04971	11.3
97.02905	1.4
98.97590	8.4
99.97919	1.7
103.05469	1.1
107.04943	1.2
108.08156	0.5
109.06505	1.1
113.03477	0.4
115.03935	0.8
116.98621	7.9
117.98968	1.7
118.06505	1.1
119.01939	1.6
119.04951	35.2
119.97922	0.8
120.05316	0.6
121.06516	0.9
123.04433	46.4
124.04759	0.5
128.98654	0.4
131.01913	1.1
133.03458	0.5
133.05008	0.7
134.99670	6.0
136.00002	0.7
136.07582	100.0
137.02979	0.8
137.05991	0.7
137.07932	1.6
140.00235	0.6
140.98564	0.6
142.03503	1.5
147.04407	15.7
150.53838	0.5
153.00665	0.6
154.03442	0.4
158.01254	0.6
158.99666	1.3
159.05013	0.8
159.54366	1.5
160.02629	0.7
160.04556	2.5
163.96793	0.6
164.05684	2.1
164.06963	0.4
165.05482	33.9
166.05826	0.9
168.99243	0.7
169.03171	0.6
170.06227	0.4
177.00740	1.7
177.02260	0.4
181.97910	1.0
182.06625	0.5
182.08144	5.7
187.00291	4.3
195.07297	0.5
200.02335	0.5
200.99988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.05509	4.5
56.96542	0.7
57.03420	0.8
57.07090	1.5
58.02966	21.8
59.24617	0.7
67.05507	14.2
67.06042	0.8
69.07070	44.9
70.06577	1.9
70.23111	1.2
70.23503	2.1
72.08132	0.9
77.84348	0.6
79.05476	3.4
81.07059	12.3
83.04995	1.3
83.08640	4.8
84.08125	7.1
86.06051	1.3
91.05474	3.5
93.07047	6.4
95.04955	2.2
95.08617	4.9
97.06516	2.5
98.06046	1.7
98.09693	1.4
98.97570	4.6
98.98431	0.9
99.97944	1.9
100.07600	5.2
105.07030	9.7
107.08587	12.7
109.06509	2.1
109.10155	38.8
112.07591	1.6
114.09173	10.2
116.98611	5.4
117.98953	1.9
121.10123	1.5
123.08046	0.9
123.11720	5.4
126.09167	11.0
126.12739	1.0
133.10132	25.6
134.10442	0.8
134.99644	4.1
135.11697	14.3
136.00034	1.2
138.12785	14.3
140.10701	1.0
147.11684	3.4
151.11191	9.3
153.12738	10.0
154.15900	1.1
155.08466	0.8
164.14339	2.1
165.12758	1.5
182.04436	1.1
182.15407	100.0
183.11641	1.6
183.15753	2.8
186.43185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
56.05025	0.4
56.96555	2.5
57.20378	0.4
59.06120	0.5
65.43999	0.4
67.05499	0.5
69.03431	0.8
69.07061	0.6
70.76617	1.0
70.76940	0.4
71.04981	0.5
72.09878	0.5
73.02911	0.7
74.01674	0.4
74.02441	1.8
79.05479	0.5
81.03416	0.5
81.07043	0.8
83.04974	0.4
91.05482	20.8
93.07022	0.6
94.06612	0.4
95.04977	4.0
95.06040	0.4
98.97599	3.1
98.98162	0.5
99.04449	0.7
99.97929	0.8
103.05454	0.8
103.11442	0.4
105.03433	0.4
107.04957	0.9
108.04472	0.4
108.05238	0.5
108.08143	0.5
109.06583	2.0
109.07632	0.4
110.06066	1.1
111.04472	0.5
116.98612	3.6
117.05484	1.2
117.98970	1.1
118.06567	3.6
119.04944	27.7
120.05292	0.5
121.06530	0.7
122.06045	0.6
123.03555	0.8
123.04429	12.6
123.05348	0.8
123.07965	0.4
125.07124	0.7
130.40952	0.4
134.99721	2.5
135.99980	1.5
136.07579	100.0
136.99277	0.5
137.07945	1.1
140.08151	0.4
142.03377	0.5
146.05965	0.4
147.04419	4.9
150.05461	1.1
153.00661	0.6
153.05573	0.6
154.08611	0.8
156.50598	0.4
158.01128	0.4
158.62531	0.3
158.96124	0.5
159.03728	0.4
164.04324	0.5
164.07094	2.2
165.05472	9.0
168.04199	0.6
177.00688	0.7
178.05641	0.5
181.97911	0.6
182.00937	0.6
182.04442	0.9
182.08096	7.3
190.99855	0.4
201.01884	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.52809	0.5
51.85505	0.5
53.03938	0.8
55.01866	0.9
55.05510	3.4
57.03435	1.7
57.07072	3.7
57.23601	0.5
59.05000	1.7
65.03934	0.8
67.05512	6.0
69.03430	1.0
69.07067	2.3
69.37466	2.4
69.37897	2.8
73.02924	3.8
73.06556	0.9
77.03884	0.5
77.81297	0.5
79.05499	11.9
81.03455	0.6
81.07060	19.3
82.13570	0.5
83.04991	1.8
83.08623	0.9
87.04459	2.1
91.05477	4.8
93.07047	30.2
95.04955	2.3
95.08615	25.4
97.06519	4.9
98.20745	0.8
98.97581	2.1
99.44621	0.5
103.05531	0.7
105.07031	4.6
107.04953	2.1
107.08601	55.1
108.08933	0.7
109.06532	1.3
109.10157	15.3
109.10907	0.9
111.08105	5.8
116.98611	2.4
117.07024	0.7
119.08610	2.9
120.09359	0.7
121.06523	2.7
121.10150	22.7
123.08078	1.1
125.05994	15.1
125.09639	1.0
134.99673	2.0
135.11697	100.0
136.12006	2.1
137.13269	5.3
139.07558	9.2
145.10149	1.6
153.12758	12.1
158.01302	0.8
163.11191	10.7
181.12241	20.0
188.72798	0.6
191.99190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	2.7
55.04258	2.6
55.05511	32.8
56.05040	9.4
57.04560	11.5
57.07087	14.4
58.02964	3.7
58.06606	4.5
59.06120	6.5
59.06404	1.3
64.00875	1.4
67.02991	11.1
67.05503	4.6
68.05035	7.7
68.69191	1.3
69.04549	4.1
69.07072	65.9
70.06600	11.1
70.73686	3.6
70.74034	1.8
71.06119	5.7
71.08638	2.0
72.08138	2.8
77.31853	1.4
79.05501	7.8
80.05032	1.8
81.03409	2.5
81.04537	6.4
81.07057	6.7
81.48460	1.4
82.06571	7.3
83.04977	5.8
83.06113	6.5
83.08627	22.9
84.08153	5.5
85.07670	4.1
85.10184	4.4
91.05494	2.8
93.07051	6.5
95.04986	4.2
95.06109	7.1
95.08612	4.4
95.44882	1.5
96.05621	2.8
96.08147	3.6
97.06523	4.3
97.07648	14.3
97.10173	15.4
97.66588	1.5
98.06087	2.9
98.07203	11.8
99.05586	100.0
99.09216	2.5
100.02744	1.8
100.05918	2.0
101.07133	2.0
103.05489	1.6
105.06988	2.2
107.05020	1.8
107.08593	10.0
108.05607	1.6
109.04006	3.5
109.07647	4.6
109.10153	2.2
110.07174	5.4
111.04430	3.6
111.08012	2.2
111.09235	8.1
111.11750	8.8
112.05042	1.7
112.08739	7.7
113.07150	1.7
116.97319	2.5
116.98608	1.6
119.08604	2.2
121.02898	1.7
121.10136	9.4
122.07176	13.1
123.08134	2.4
123.09203	13.6
124.08744	4.1
125.05994	10.9
125.10703	1.9
126.10328	2.9
134.99651	3.7
135.04431	2.4
135.08012	2.4
135.11731	9.1
136.07521	2.5
136.08647	3.6
137.06035	1.7
137.08179	3.3
137.09612	1.7
138.10237	8.6
139.06129	6.4
139.07553	1.7
139.08736	2.5
139.09787	9.7
139.98747	1.8
140.08199	10.0
140.11836	3.9
145.10129	2.0
149.08247	13.4
150.10277	2.6
154.08582	1.8
163.03860	2.8
163.07452	2.1
163.09938	2.6
163.11153	12.0
164.07004	1.9
164.08223	3.3
164.11838	10.9
165.11385	1.9
181.04930	3.9
181.08487	3.5
181.10910	28.7
181.12279	9.7
181.14520	21.7
182.05777	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.37617	0.4
52.10877	0.4
55.05501	1.6
56.96539	0.6
57.07064	0.8
59.04996	2.5
67.05494	1.9
69.03416	1.2
69.07069	2.9
73.02902	0.6
79.05500	3.2
81.07056	4.8
82.72928	0.4
91.05467	2.0
93.06480	0.8
93.07046	11.5
94.29893	0.5
94.67316	0.4
95.04979	0.5
95.08608	11.4
97.06533	1.3
98.21568	0.6
98.97591	8.2
105.07036	2.9
107.04944	0.9
107.08595	24.5
109.06496	0.5
109.10165	1.2
111.04433	0.8
111.08064	1.3
116.98626	9.5
117.95223	0.4
119.08585	3.4
121.06509	3.2
121.10144	13.7
123.08076	2.9
125.05981	3.5
127.67566	0.4
134.99673	4.9
135.08157	0.7
135.11691	30.3
136.12004	1.2
137.09683	0.6
137.13231	1.4
139.07539	5.6
140.00099	0.4
145.10124	8.9
145.21338	0.5
153.00696	1.3
153.12733	1.6
158.01237	1.0
163.11186	23.1
181.12236	100.0
182.12604	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03941	2.0
55.01865	2.4
55.05505	5.2
56.96566	16.2
57.03423	2.8
57.07056	1.7
67.05494	5.0
69.03431	3.1
69.07049	4.0
70.08136	7.0
71.04980	3.2
71.95258	2.8
72.13168	1.3
79.05079	1.2
79.05495	18.0
81.07055	14.2
83.04971	4.1
83.08607	1.6
85.06563	1.3
89.03916	10.9
91.05473	11.0
93.07042	27.1
95.04973	6.8
95.05499	1.3
95.08603	12.0
97.06532	6.4
98.97587	93.1
103.05467	1.8
105.07027	11.2
107.04967	6.5
107.08601	13.8
109.06506	4.3
109.10141	10.2
111.04446	5.3
111.08018	2.6
116.98620	100.0
117.03387	10.5
117.06999	4.1
119.08576	4.1
121.06505	11.7
121.10136	33.6
123.08089	9.5
125.06042	6.3
125.09615	1.8
134.99660	94.2
135.04419	28.9
135.08084	6.3
135.09090	1.8
135.11693	12.3
137.05986	2.2
139.03944	1.6
139.07541	5.3
139.11154	6.1
140.00179	8.5
141.72562	1.4
145.02850	18.9
145.10109	25.6
149.05994	2.6
153.00732	17.7
153.12781	2.8
158.01263	14.9
163.03909	85.1
163.07574	2.2
163.09741	1.1
163.11177	30.5
164.04227	4.4
176.02324	2.4
181.04909	3.9
181.06387	2.3
181.08650	2.7
181.12231	52.2
182.12560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03965	0.9
55.05515	3.0
56.96569	0.7
57.03436	2.3
57.07083	4.2
59.04991	0.9
65.03932	0.8
67.05521	6.9
69.03448	1.1
69.07063	3.4
70.20054	3.7
73.02927	5.3
79.05499	15.8
81.07059	22.0
83.04991	2.4
87.04475	2.3
91.05473	6.6
93.07049	29.4
95.04963	2.8
95.08611	26.4
97.06528	8.4
98.97586	3.9
105.07036	5.9
107.04947	2.6
107.08603	57.9
109.06509	1.2
109.10165	14.7
111.04451	3.2
111.08083	7.2
116.98628	2.7
117.07034	0.7
119.08598	3.3
121.06513	3.7
121.10149	22.8
125.06003	15.2
127.74736	0.8
129.64638	0.8
134.99654	2.3
135.11700	100.0
136.12024	2.4
137.13275	6.6
139.07547	9.0
145.10133	1.9
153.12749	12.2
163.11200	16.2
166.07820	1.2
179.01147	0.8
181.10056	1.3
181.10425	1.4
181.12248	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.91679	0.4
53.03932	0.6
55.01870	0.8
55.05510	2.4
57.03425	1.7
57.07071	2.9
59.04982	1.3
59.51626	0.4
67.05508	4.7
69.07058	1.8
70.44066	1.8
73.02924	2.9
73.06536	0.7
79.05061	0.9
79.05492	12.5
81.07055	15.1
83.04971	1.1
83.39806	0.4
87.04455	1.7
91.05475	4.6
93.07043	25.9
95.04968	1.6
95.08607	26.1
97.06532	5.8
105.07016	3.8
107.04967	2.3
107.08594	52.5
108.08897	0.6
109.06528	1.4
109.09459	1.0
109.10155	13.7
110.75988	0.4
111.04437	0.7
111.08073	5.8
119.08593	3.1
120.09378	0.6
121.06490	2.7
121.10144	21.4
123.08079	1.2
123.26472	0.5
125.05995	11.8
125.09626	0.6
135.11690	100.0
136.12035	2.2
137.09573	0.6
137.13240	6.6
139.07539	8.7
145.10097	1.8
153.12750	11.2
163.03862	0.5
163.11186	10.3
181.12241	23.1
182.12579	1.1
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	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.69152	0.8
53.03933	1.2
55.05499	3.3
57.03435	1.9
57.07065	3.1
59.04993	1.9
67.05509	7.6
69.03410	1.0
69.07056	3.0
69.20551	0.8
70.62415	0.8
70.62746	1.6
73.02912	3.2
73.06542	1.1
79.05492	14.6
81.07055	17.8
82.29604	0.8
83.04985	0.8
87.04459	1.8
91.05471	7.9
91.62766	0.8
93.07040	34.8
93.07631	1.7
95.04975	2.0
95.08604	27.4
97.06525	6.9
101.05818	0.8
105.07014	5.2
107.04958	2.3
107.08591	60.2
108.08932	1.1
109.06523	2.5
109.10158	15.3
111.04489	1.1
111.08088	5.2
119.08549	3.2
121.06498	2.8
121.10138	21.8
123.08083	0.8
125.05993	13.2
135.11688	100.0
136.11996	2.6
137.13261	6.0
139.07555	7.6
139.11209	1.0
145.10100	1.7
153.12717	10.6
153.14919	0.8
163.11197	8.6
176.60088	0.8
181.12230	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.70404	1.2
53.03942	1.8
54.52268	0.9
55.01869	2.3
55.05499	3.6
56.96569	13.2
57.07075	23.3
58.06554	1.3
59.04989	2.2
65.03913	1.3
67.05497	3.2
69.03423	3.0
69.07052	4.4
71.04981	1.8
71.08091	2.0
71.08428	1.4
71.95265	1.1
79.05491	10.7
79.20206	1.1
81.03429	5.9
81.07040	6.8
83.04978	46.0
83.08617	1.3
89.03896	2.7
91.05480	6.9
91.67388	1.3
93.07028	8.9
95.04969	15.1
95.08589	1.5
97.06534	26.4
97.07575	1.2
98.97583	90.0
105.07036	4.3
107.04929	4.7
107.08595	10.1
109.06506	2.9
111.04473	1.6
116.91026	1.4
116.98621	100.0
117.03364	3.9
117.07003	2.1
119.08566	4.0
121.06488	6.4
121.10159	12.7
123.08047	1.4
125.05991	82.6
127.07433	1.2
130.07831	1.8
134.99657	80.6
135.04387	9.1
135.08061	3.4
135.09099	1.6
135.11673	5.5
136.07549	2.3
137.05919	1.6
137.09608	1.2
140.00194	6.6
145.02876	6.3
145.10130	8.9
148.05173	2.1
149.02316	4.1
149.05943	2.0
153.00708	15.2
158.01250	13.4
158.21509	1.2
162.12012	1.3
163.03912	30.1
163.11180	80.2
171.83479	1.2
176.02269	2.4
180.77475	1.2
181.04913	3.8
181.08682	7.9
181.10782	2.3
181.12218	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03922	1.9
55.01869	1.6
55.05499	2.5
56.96560	13.4
57.03431	7.1
57.07071	2.1
62.21685	1.1
67.05489	4.6
69.03446	1.0
69.07053	2.3
69.50697	9.3
71.04986	3.0
71.95254	1.5
79.05483	13.0
81.03415	1.7
81.07052	8.7
83.04966	3.1
83.08594	1.1
85.02856	0.9
89.03914	3.5
91.05476	7.9
93.06467	1.9
93.07041	24.6
95.04962	3.8
95.08598	6.2
97.06524	3.9
98.21532	1.8
98.97583	96.3
99.97935	1.0
103.05488	2.1
105.07021	7.9
107.04935	2.3
107.08599	10.1
109.06483	2.6
109.10134	6.1
111.04425	3.0
111.08069	1.5
116.98619	100.0
117.03361	2.0
117.06971	1.5
119.08595	2.9
121.06516	9.9
121.10142	34.0
123.08101	5.6
125.05997	3.8
125.09604	1.6
134.99654	79.3
135.04434	5.5
135.08023	1.5
135.11641	7.1
136.00116	1.2
137.06006	1.7
139.07515	4.6
139.11194	3.6
140.00159	7.1
145.02859	4.3
145.10124	10.8
149.05959	2.3
153.00713	15.8
153.09143	1.1
154.08600	1.7
158.01251	15.3
163.03886	18.6
163.11185	15.8
164.04208	1.4
164.11652	1.3
166.07881	1.1
176.02319	2.1
181.04967	4.7
181.08731	6.1
181.10112	2.3
181.10452	1.8
181.12216	28.1
185.96898	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
52.46180	0.4
55.01846	0.4
55.05502	0.6
56.96561	4.5
57.07058	0.5
65.03940	2.1
67.05498	1.4
69.03414	0.8
69.07072	0.4
71.57072	0.7
71.95246	0.8
79.05498	3.9
80.05022	0.4
81.03398	0.5
81.07047	1.6
83.04968	1.0
83.08576	0.4
85.02926	1.0
89.03918	11.6
89.04477	0.6
91.05470	2.6
93.03412	0.8
93.07048	3.9
95.04955	2.0
97.02840	0.6
97.06516	1.1
98.97581	26.2
103.05473	0.7
105.04466	0.4
105.07027	0.8
107.04961	5.3
107.08595	1.5
109.06509	0.7
110.03666	1.0
111.04420	1.1
116.98615	31.7
117.03373	13.1
117.07007	0.5
119.08565	1.3
121.06486	1.9
121.10131	4.1
122.07171	0.7
123.05495	0.4
123.08055	0.9
125.05975	1.4
134.99654	31.6
135.04411	31.6
135.08054	1.4
135.09158	1.0
135.11688	1.5
136.07423	0.5
137.06020	0.8
137.09596	0.4
139.03879	1.0
139.09772	0.4
140.00156	1.9
140.08220	0.7
142.02609	0.7
145.02841	18.6
145.03993	1.0
145.10123	1.7
146.03188	0.5
149.06015	0.9
153.00708	6.9
153.05515	0.4
158.01266	4.3
163.03899	100.0
163.11121	3.9
164.04208	2.0
164.08138	0.5
164.23512	0.4
171.06488	1.0
176.02336	1.2
181.04964	6.8
181.06433	0.8
181.08568	1.4
181.10643	1.0
181.12025	2.1
182.11766	0.4
186.05464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03952	0.3
55.01868	0.9
55.05499	0.8
56.96564	4.7
57.07068	0.5
59.06114	0.3
65.03923	0.6
67.05488	0.9
69.03432	0.3
69.07053	0.5
69.37106	2.0
69.37512	0.8
71.95238	0.4
79.05490	3.8
81.07047	1.2
83.04963	1.0
85.02891	0.4
87.73534	0.3
89.03918	11.1
91.05481	2.7
93.07027	3.1
95.04966	1.5
95.08621	0.7
97.06507	0.9
98.97584	24.8
103.05459	0.6
105.07011	1.1
107.04295	0.4
107.04968	5.1
107.08610	1.7
109.06515	0.4
109.10171	0.5
111.04480	1.5
116.98622	31.8
117.03377	13.9
117.07014	0.4
119.04926	0.5
119.08602	0.4
121.06522	1.7
121.10148	2.7
122.07191	0.3
123.08060	0.7
125.05956	1.6
134.01262	0.3
134.99663	32.5
135.04414	32.5
135.08041	0.9
135.09087	0.4
135.11679	1.1
136.04762	0.6
139.03896	0.9
139.07507	0.5
139.11153	0.5
140.00180	2.2
140.04710	0.5
140.08171	0.5
145.02849	18.6
145.10152	1.0
146.03180	0.4
149.05980	1.2
153.00708	6.6
158.01260	4.9
163.03905	100.0
163.11127	2.1
164.04279	2.0
169.79024	0.3
176.02318	1.0
181.02667	0.4
181.05000	3.3
181.06454	0.5
181.08583	1.3
181.10130	0.4
181.10664	0.5
181.12196	2.6
186.05487	0.7
200.44724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03936	0.5
54.44491	0.4
55.01854	0.8
55.05487	0.6
56.05029	0.8
56.96563	4.6
59.06120	0.7
60.04513	0.7
65.03938	0.8
65.04280	0.4
67.05473	0.7
68.05017	0.8
69.03427	0.5
70.06578	0.5
70.78152	1.0
70.78500	0.6
71.95265	0.8
79.05493	3.9
80.31723	0.4
81.03407	0.5
81.04539	0.7
81.07059	0.9
82.06589	0.6
83.04961	0.6
83.06091	1.1
84.08133	1.8
85.02888	0.9
86.09689	0.9
88.03936	0.4
89.03913	11.8
91.05470	2.4
93.07011	1.1
94.86688	0.4
95.04947	1.5
95.06071	0.8
97.02873	0.5
97.06519	0.4
97.07644	0.9
98.07173	0.4
98.97583	31.3
105.07049	0.5
105.50433	0.4
107.04946	4.6
107.08596	1.3
111.04430	1.4
111.08045	0.5
116.98618	39.2
117.03370	14.9
117.07079	0.5
119.04924	0.6
121.06461	1.4
121.10157	1.1
122.07145	1.8
123.05536	0.5
123.08020	0.7
124.08664	0.5
134.99657	36.1
135.04411	32.6
135.08061	1.3
135.09103	1.0
135.11635	0.8
136.04755	0.7
136.08672	0.7
137.06017	0.7
139.03969	0.9
139.09827	0.5
140.00157	2.0
140.08199	0.7
145.02847	19.7
146.03137	0.5
149.05925	0.4
153.00699	7.5
153.05478	0.8
158.01244	4.8
163.03902	100.0
163.11166	1.0
164.04254	1.8
164.08252	0.6
176.02184	0.9
181.02870	0.4
181.03461	0.4
181.04958	3.0
181.06346	0.6
181.08627	0.6
181.10712	1.2
181.12268	0.9
186.05428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03947	1.4
53.25890	0.8
55.01859	3.0
55.05513	7.0
56.96555	2.9
57.03444	7.3
57.07070	2.0
65.03948	1.3
67.05511	28.7
69.03442	2.1
69.07067	9.1
71.05006	4.4
71.37618	2.0
79.05064	1.5
79.05499	23.9
81.07065	72.2
83.05004	6.7
83.05429	1.4
83.08620	3.2
85.06563	6.7
91.05489	25.9
91.06069	1.3
92.10141	0.8
93.06470	2.0
93.07049	34.5
95.04974	4.0
95.08614	64.1
97.06534	13.0
99.08089	6.5
103.05480	1.1
105.07037	31.1
106.07378	0.9
107.08601	17.3
109.06516	5.8
109.10169	6.0
111.08112	4.3
117.07034	1.8
119.04952	1.6
119.08588	53.2
121.10150	15.8
123.04476	1.2
123.08057	7.0
123.11739	1.8
133.06480	0.9
133.10133	33.3
134.10544	1.1
135.10678	1.8
135.11707	32.0
137.09616	4.2
137.13277	2.6
147.04420	4.5
151.11212	1.8
151.14864	0.9
161.05998	1.6
161.13268	89.8
162.13579	1.5
179.03419	9.8
179.06659	3.2
179.10779	2.8
179.14323	100.0
180.14645	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03955	1.1
54.14632	0.9
55.01870	2.5
55.02279	1.1
55.05515	6.4
56.96572	1.1
57.03444	7.8
57.07064	1.0
67.05508	34.0
69.03427	2.4
69.07070	9.0
70.87055	2.2
70.87430	1.9
71.04987	2.9
71.27221	0.9
79.05496	25.1
81.07064	77.7
83.04992	5.6
83.08607	3.4
85.06541	6.7
91.05482	24.9
92.55161	0.9
93.07050	34.7
95.04966	3.5
95.08613	71.4
97.06544	12.7
99.08100	7.6
105.07036	31.3
107.08593	16.7
109.06561	6.1
109.10159	5.6
111.08082	4.3
117.07018	2.2
119.04903	1.4
119.08590	53.5
121.10159	15.0
123.08102	6.9
131.08533	1.2
133.10141	33.6
135.11703	35.1
137.09628	3.0
137.13232	2.8
147.04428	2.2
151.11234	1.4
161.13264	88.5
162.13602	1.7
165.10962	0.9
179.03481	2.2
179.14325	100.0
180.14668	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03944	2.3
55.01859	3.2
55.05515	5.8
56.96565	2.1
57.03440	5.5
57.07074	1.2
65.03931	1.8
67.05508	25.7
69.07056	5.0
70.86637	3.7
71.04987	4.8
79.05495	14.5
81.07061	71.2
83.04964	5.1
83.08628	2.8
84.96449	1.2
85.06535	5.8
91.05484	22.3
91.63744	1.2
93.06480	1.6
93.07051	28.0
95.04958	3.7
95.08609	63.3
96.08943	1.4
97.06540	9.1
99.08095	7.6
105.07041	31.5
107.08597	14.9
109.06517	3.6
109.10160	5.3
111.08083	4.5
117.06984	1.7
119.04929	5.0
119.08585	44.2
121.10153	15.3
123.08109	8.4
123.11723	1.6
133.10139	33.6
134.10437	1.1
135.11707	28.5
137.09630	2.7
137.13310	1.6
145.96204	1.1
147.04395	6.9
148.31126	1.1
151.11211	2.1
158.45721	1.1
161.05980	1.8
161.13261	78.7
162.13614	2.2
179.03409	5.3
179.06961	5.2
179.14316	100.0
180.14595	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38165	1.2
53.03938	2.2
55.01868	4.4
55.05518	7.5
56.96577	6.7
57.03430	6.6
57.07068	1.3
65.03950	2.4
67.05173	2.2
67.05508	34.2
69.03422	5.3
69.07076	8.4
69.99586	6.1
70.53011	1.3
71.04984	6.0
77.23162	1.2
78.09420	1.3
79.05494	25.3
79.05925	0.9
81.07062	80.1
82.07412	1.8
82.72321	1.4
83.04994	7.9
83.08595	2.5
85.06546	5.6
91.05479	33.0
93.06474	2.1
93.07046	39.9
95.04955	6.0
95.08608	71.6
96.08932	2.0
97.06541	15.8
99.04420	1.8
99.08091	9.7
105.07031	37.5
107.04937	2.3
107.08589	16.9
109.06510	7.2
109.10139	7.6
111.08098	6.5
116.00130	1.3
117.05538	1.5
117.07008	2.3
119.04939	13.6
119.08587	50.3
120.08830	1.2
121.10155	16.9
123.04427	3.6
123.08097	11.0
123.11677	4.0
125.05984	1.8
131.08536	1.4
133.02808	3.1
133.06462	1.8
133.09113	2.3
133.10133	42.5
135.04448	1.8
135.11697	35.6
137.05898	1.4
137.09630	4.5
137.13234	1.5
147.04414	33.2
151.03958	1.8
151.11188	5.4
152.07059	1.3
161.05978	6.6
161.09628	5.2
161.13266	90.8
162.13605	2.8
178.83755	1.4
179.03421	20.7
179.06909	4.8
179.08548	4.5
179.10831	8.4
179.14322	100.0
180.06651	1.8
180.14653	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.32288	0.8
53.03934	1.8
55.01878	5.5
55.05512	7.8
56.57634	0.8
56.96566	2.1
57.03445	7.2
57.07062	2.7
65.03925	1.4
67.05509	37.1
69.03421	3.1
69.07068	8.2
71.04999	4.5
71.59419	1.3
73.02885	1.0
79.05061	1.7
79.05499	23.6
81.07060	87.9
83.04984	7.5
83.08623	4.4
85.06546	7.2
91.04903	0.9
91.05486	33.2
93.07049	35.3
95.04981	4.8
95.08613	78.2
96.08950	1.1
97.06532	20.1
99.08090	8.6
103.05480	1.1
105.07034	31.6
107.08592	19.2
109.06528	5.8
109.10159	16.7
111.08080	5.1
111.24113	0.8
113.09592	1.1
117.07004	2.2
119.04954	7.9
119.08591	53.1
121.06472	1.1
121.10149	17.8
123.04429	1.0
123.08086	8.2
123.11722	8.4
131.08502	1.4
133.06514	2.0
133.10135	33.3
135.11690	34.4
136.11992	0.9
137.05992	1.4
137.08244	1.0
137.09616	4.1
137.13297	4.1
147.03374	1.2
147.04433	13.2
151.11180	2.4
161.06009	6.0
161.13264	92.5
162.13535	1.8
179.03391	6.7
179.07140	6.0
179.10736	3.9
179.14319	100.0
179.17821	2.8
180.03905	0.8
180.14713	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03949	3.0
54.26621	0.9
55.01666	1.1
55.01874	11.2
55.05305	1.0
55.05518	11.0
56.96569	10.5
57.03437	7.6
57.07074	1.7
59.04982	1.1
65.03937	1.7
67.05508	44.8
69.03421	5.2
69.07068	12.6
69.48143	9.2
71.04990	5.0
76.43278	0.9
77.03916	1.2
78.04646	1.0
79.05495	33.1
81.03417	2.1
81.07059	100.0
83.04990	9.9
83.08623	7.8
85.02886	1.0
85.06535	8.7
91.05483	46.9
93.06470	2.2
93.07046	42.7
95.04979	12.6
95.08609	84.2
96.08929	1.1
97.02882	1.2
97.06535	19.2
97.10161	1.8
97.99194	1.6
99.08098	6.9
100.38180	0.9
103.05457	2.7
105.07033	50.1
107.04954	1.6
107.08600	18.9
108.04482	1.3
108.08879	1.1
109.02861	1.2
109.06497	7.2
109.10170	9.6
110.06091	1.3
111.08078	4.6
112.07607	3.2
113.09651	2.3
115.05477	2.0
116.00211	1.5
117.07039	3.1
118.04198	1.3
119.04955	21.7
119.08585	53.8
120.08071	1.4
121.06475	1.4
121.10152	15.8
123.04451	8.8
123.08075	9.4
123.11745	3.1
125.05962	1.2
131.08572	1.5
133.02864	3.0
133.06514	7.6
133.10132	46.0
134.09653	1.1
135.04434	1.4
135.07919	1.0
135.11700	31.6
136.05244	2.3
137.05995	3.6
137.09631	4.9
137.13232	2.7
146.03598	2.3
147.04414	27.6
149.06023	1.6
149.29628	1.0
151.03836	1.2
151.07558	4.5
151.11134	2.7
151.14792	2.1
159.11752	1.3
161.05998	9.5
161.09659	5.7
161.13261	82.7
162.09137	8.2
162.13602	2.4
163.04015	1.9
164.04700	1.3
177.39809	1.1
179.03424	18.2
179.07114	17.5
179.08611	2.0
179.10756	7.9
179.14316	98.1
180.10266	4.2
180.14742	2.5
181.02139	1.1
196.94012	1.2
199.12344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03949	5.1
55.01872	14.2
55.05511	36.2
56.96552	1.6
57.03437	4.9
57.07067	1.5
59.04985	1.2
65.03922	3.6
67.05505	96.2
68.05804	1.4
69.03423	1.6
69.06720	1.4
69.07067	18.0
71.04975	2.7
71.21197	2.1
73.06551	1.4
77.03913	1.2
79.05493	67.0
80.05791	1.3
81.02977	1.9
81.03416	21.4
81.07057	100.0
81.70818	1.0
82.07370	1.5
83.04981	35.0
83.08613	14.6
85.06536	3.5
91.05481	66.8
93.07044	52.1
95.04976	18.7
95.08607	77.8
96.08941	1.3
97.06530	37.5
97.10157	3.5
99.08091	3.2
103.05482	1.2
105.07034	42.7
107.04962	6.6
107.08586	18.8
109.06513	9.1
109.10158	15.7
111.08095	10.1
112.07620	1.3
113.09647	8.6
115.05437	1.2
117.07018	2.8
117.69238	1.0
118.04191	1.5
119.04942	10.0
119.08581	41.3
120.08121	1.2
121.06524	1.7
121.10139	8.4
123.04446	5.3
123.08081	4.8
123.11712	2.5
125.05988	10.8
131.08545	2.8
133.02847	3.3
133.06467	4.4
133.10130	43.3
135.11700	10.2
136.05167	2.0
137.05980	3.9
137.09645	3.0
138.09116	1.5
147.04413	16.0
151.03836	1.5
151.07530	1.5
151.11108	1.2
160.87344	0.9
161.06003	8.7
161.09605	13.8
161.13254	23.8
162.09088	5.7
179.03412	21.6
179.07167	9.6
179.08446	1.8
179.10718	10.5
179.14304	78.2
180.10150	2.4
180.14584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one
Peak:m/z	Relative Intensity
55.01862	2.9
55.05524	1.3
56.96564	7.2
65.95516	0.5
67.05510	2.7
69.03431	1.3
69.07047	1.2
70.83411	1.9
79.05493	4.6
81.07056	7.2
82.44082	0.5
83.04987	4.9
91.05482	4.8
93.07053	2.5
95.04955	0.5
95.08602	3.6
97.06532	87.3
97.73360	0.6
97.99181	1.1
98.06841	1.2
98.20860	0.6
99.08083	0.5
105.07029	4.7
107.08580	1.9
109.06518	100.0
109.10174	1.1
110.06866	1.4
112.07619	1.0
116.00230	0.9
118.04169	0.7
119.04951	3.3
119.08588	2.5
121.10177	1.8
123.04440	1.4
123.08068	1.8
131.76697	0.5
133.02885	0.9
133.06477	0.9
133.10161	3.0
136.05235	0.8
137.09604	1.1
140.72331	0.5
147.04417	7.7
151.03960	0.7
156.00208	0.5
161.05989	2.2
161.09624	1.3
161.13287	3.9
162.09123	2.6
179.03404	4.2
179.06944	3.9
179.10742	2.1
179.14313	41.5
180.10252	1.3
180.14687	0.8
181.72121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02377	1.0
53.03938	5.9
55.01870	13.6
55.05510	32.9
56.96558	5.3
57.03419	4.8
57.07049	1.4
59.04993	2.1
62.03330	1.0
65.03928	4.5
67.05504	99.8
68.05845	1.5
69.03419	3.2
69.07069	17.7
69.83876	4.6
71.04994	3.3
79.05492	67.3
81.02972	1.8
81.03419	20.2
81.07055	100.0
81.26334	1.0
83.04980	37.7
83.08621	16.7
85.06540	3.3
91.05479	62.0
93.06470	2.2
93.07043	45.4
95.04974	14.1
95.08604	76.5
96.08945	1.4
97.06528	33.5
97.10151	2.7
98.21458	1.7
99.08091	3.2
104.10941	1.0
105.07028	36.4
107.04941	3.0
107.08590	16.1
109.06529	7.7
109.10156	15.4
111.08093	8.2
112.07598	1.3
113.09638	10.9
117.06990	1.6
119.04971	6.0
119.08582	39.0
121.10146	7.1
123.04410	3.4
123.08095	5.3
123.11671	1.2
125.05965	6.1
129.10027	1.0
131.08521	1.6
133.06493	2.2
133.10130	37.2
134.01216	1.2
135.11697	12.9
137.05965	1.4
137.09578	1.8
138.09143	1.4
147.04402	11.2
159.11690	2.0
161.05980	4.6
161.09583	7.9
161.13269	22.3
162.09097	2.9
175.02744	1.5
176.58098	1.1
179.03378	12.4
179.06868	4.4
179.08374	1.7
179.10828	6.0
179.14310	77.1
180.10162	1.4
184.62962	1.1
193.03735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03944	2.1
53.32522	0.7
54.10449	0.7
55.01871	8.3
55.05511	5.0
56.96553	3.6
57.03439	2.9
57.07085	1.7
58.52894	0.7
59.05016	1.0
65.03934	1.7
67.05504	9.0
68.99788	0.8
69.03431	8.7
69.07071	2.9
71.04989	2.0
71.14805	1.8
73.02932	1.2
75.97240	0.8
79.05493	10.3
81.03415	1.6
81.07053	20.0
83.04979	2.6
85.02910	1.1
91.05476	39.5
92.05809	0.7
93.07040	22.6
95.04965	12.9
95.08599	10.4
97.02881	0.9
97.06509	0.9
97.99220	1.0
99.04467	0.8
103.05480	2.9
105.07024	53.4
106.07348	1.3
107.04956	4.0
107.08589	24.0
109.02885	1.3
109.06519	12.3
109.10138	11.5
112.07589	1.3
115.05440	2.0
117.07007	2.4
118.07785	1.2
119.04933	15.9
119.08577	35.3
121.06507	5.6
121.10137	3.7
123.04439	4.4
123.08045	7.7
123.11704	10.3
125.05961	1.3
128.06178	4.0
130.29662	0.7
131.08542	5.8
132.05754	0.9
133.02844	0.9
133.06499	4.9
133.10123	100.0
134.10469	2.5
135.08070	1.6
135.11688	2.3
136.05171	1.4
137.05975	4.1
137.08583	1.2
137.09596	9.4
142.09283	0.7
143.08553	7.3
146.03619	1.3
146.07239	3.2
147.04404	26.9
151.03920	1.3
151.07521	2.2
151.11166	13.6
151.76324	0.8
156.34747	0.8
161.05989	7.6
161.09607	49.8
162.09087	2.4
179.03400	8.0
179.07129	9.3
179.10652	42.7
179.14235	1.7
180.10089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03959	1.1
55.01866	12.5
55.05511	5.4
56.96569	16.9
57.03446	3.1
57.07068	1.5
59.05009	1.2
59.59288	0.6
65.03946	1.6
67.05502	12.7
69.03426	11.0
69.07067	2.9
70.98132	4.0
71.04985	2.2
71.57001	1.0
72.90005	0.7
73.02928	1.5
74.20978	0.7
74.97583	0.9
77.03922	0.8
77.48126	0.6
79.05492	11.9
81.03412	2.2
81.07058	22.7
83.04980	3.4
85.02900	2.2
88.02776	0.6
88.99166	3.3
91.05479	41.1
92.05811	0.8
93.07040	23.4
95.04969	13.2
95.08607	11.7
97.02912	0.7
97.06541	2.0
97.99178	1.3
98.98458	0.8
99.04456	1.2
103.05487	1.9
105.03419	1.0
105.07031	54.5
106.06556	0.7
106.07336	0.9
107.00240	1.3
107.04935	3.3
107.08594	26.0
108.04488	1.4
108.05763	0.9
109.02878	1.9
109.06509	11.7
109.10160	13.0
111.04438	1.1
112.07624	2.2
115.05473	2.2
116.00227	1.1
117.07044	4.0
118.04147	1.2
118.07784	1.8
119.04943	17.4
119.08580	41.0
120.08122	1.7
121.02853	0.6
121.06489	5.7
121.10127	3.5
123.04438	7.5
123.08063	8.1
123.11691	11.7
125.05998	0.9
128.06198	3.6
128.90189	0.7
131.08574	6.3
133.02856	3.1
133.06497	5.9
133.10126	100.0
134.10480	2.1
135.02016	1.2
135.04401	2.2
135.08055	3.0
135.11700	3.6
136.05171	1.7
137.05997	4.6
137.09612	11.1
138.09093	1.1
143.08560	9.8
144.02553	8.4
144.52791	1.2
145.06543	0.8
146.03596	2.1
146.07295	3.6
146.52826	1.2
147.04410	25.7
151.03900	1.3
151.07520	2.2
151.11177	12.7
152.07077	0.7
153.03104	1.4
155.53355	3.4
161.05984	11.6
161.09613	54.0
161.13255	2.0
162.09036	4.7
163.03908	24.4
164.04401	3.0
167.04195	0.7
178.24556	0.7
179.03415	13.2
179.07146	12.6
179.10666	51.2
179.14294	2.5
180.07892	0.7
180.10211	2.4
180.11281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03947	5.1
53.17091	0.7
54.35952	0.8
55.01876	4.6
55.05513	57.0
55.60338	0.8
55.95131	0.8
57.03433	1.4
58.67532	0.8
66.44820	0.8
67.05514	5.4
67.12885	0.8
69.03431	1.7
69.07074	6.0
70.43234	1.2
70.43633	2.1
73.02917	1.3
79.05054	1.5
79.05494	23.0
80.38893	0.7
81.03421	1.4
81.07061	19.8
83.04988	4.2
84.15447	0.7
91.05483	41.7
93.07050	31.7
95.04961	6.9
95.08582	2.6
97.02822	0.9
97.06527	3.2
103.05500	1.2
105.03407	2.6
105.07034	59.6
106.07384	1.8
107.04958	30.2
107.08600	25.8
108.05260	1.0
109.06522	6.4
109.10161	3.4
117.07025	2.8
119.04944	8.2
119.08586	19.7
121.06528	2.1
121.10154	1.0
123.04428	3.2
123.08054	1.7
123.11686	1.2
125.05997	77.6
126.06281	1.2
128.06239	2.3
131.08551	4.3
133.06497	3.4
133.10135	100.0
134.10458	2.7
135.11705	7.5
137.05992	11.3
137.09590	4.6
143.08557	3.9
146.07236	1.7
151.11163	5.0
159.08026	0.8
161.09627	68.8
162.09972	2.2
179.08430	1.7
179.10677	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
51.02377	1.2
53.03927	2.6
55.01870	15.2
55.05508	4.5
56.96564	6.0
57.03429	4.2
57.07066	2.2
59.04990	1.6
65.03931	2.4
67.05502	11.9
68.05009	1.0
69.03427	9.8
69.07055	2.4
69.87253	0.8
69.87586	5.0
71.04974	3.4
73.02911	1.6
77.03896	1.1
79.05490	12.6
80.05011	1.1
81.03403	1.8
81.07058	24.0
82.07343	1.0
83.04956	2.8
85.02882	2.1
91.05482	48.1
92.84592	0.9
93.07045	28.4
94.07407	1.1
95.04967	11.5
95.08608	11.6
97.06543	1.8
97.99158	0.9
99.04444	1.6
103.05470	1.8
105.03374	2.2
105.07028	61.3
106.07350	1.2
107.04948	3.4
107.08595	29.4
108.04472	1.0
108.33773	0.8
109.02892	1.8
109.06516	11.7
109.10159	12.0
112.07570	2.3
115.05446	2.3
117.06983	4.1
118.04154	1.5
118.07776	1.9
119.04945	23.7
119.08578	36.6
120.08089	1.6
120.08872	1.2
121.06487	5.4
121.10190	4.2
123.04433	8.3
123.08064	8.4
123.11709	10.9
127.07551	1.0
128.06195	2.2
131.08589	7.8
133.02843	2.3
133.06509	9.1
133.10127	100.0
134.05971	1.0
134.10487	3.0
135.04379	1.9
135.08022	2.5
135.11687	5.0
136.05188	2.9
137.05952	8.0
137.08205	1.8
137.09586	11.2
138.09114	1.4
142.24236	0.9
143.08583	7.0
146.03609	2.9
146.07257	5.6
147.04413	42.1
148.04739	1.2
151.03915	1.4
151.07533	3.5
151.11174	14.5
152.07040	1.1
161.05986	17.8
161.09613	54.2
161.13246	2.3
162.08998	5.4
164.04709	0.9
179.03406	13.0
179.07130	19.6
179.10658	51.4
179.14130	3.8
180.10117	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03934	4.8
55.01868	7.0
55.05510	54.8
56.96551	5.2
57.03437	1.9
57.07099	1.5
57.92230	1.3
62.45218	1.3
65.03951	1.8
67.05506	10.7
68.41741	1.6
69.03416	3.2
69.07052	5.4
69.40279	5.2
69.40701	8.5
71.04966	1.9
73.02890	2.1
79.05070	1.8
79.05495	26.4
79.05949	1.6
80.11068	1.3
81.03413	2.5
81.07058	32.1
83.04964	6.3
91.05481	54.4
93.07042	43.1
95.04967	11.9
95.08614	8.8
97.06532	3.7
98.20734	1.8
98.98420	1.9
99.04455	1.8
105.03373	2.2
105.07026	66.8
107.04957	27.7
107.08592	33.8
107.84866	1.3
109.06509	8.3
109.10155	5.8
115.05432	2.8
117.07030	2.4
118.21412	1.5
119.04939	22.4
119.08576	24.4
121.06490	5.6
121.10176	1.8
123.04436	8.4
123.11713	3.5
125.05990	69.8
128.06238	3.8
131.08585	5.9
132.05762	2.0
133.02844	3.9
133.06519	7.2
133.10127	100.0
134.10446	2.6
134.92189	1.2
135.04376	2.0
135.11685	16.9
137.05991	13.6
137.09605	5.3
139.01550	1.9
143.08632	2.7
146.07256	3.5
147.04405	27.4
149.06126	1.3
151.03941	1.6
151.11177	6.4
161.06006	7.9
161.09610	73.3
161.13242	7.7
162.09947	1.5
179.03378	31.1
179.06889	10.3
179.08617	2.6
179.10669	44.9
179.14268	7.7
180.03743	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03947	2.8
55.01874	4.6
55.05512	39.5
56.96565	2.2
57.03435	1.8
57.07070	0.8
59.04990	0.7
65.03930	1.5
67.05508	9.3
69.03433	2.0
69.07068	6.2
69.76481	4.3
71.04991	1.3
73.02911	1.8
76.70525	0.7
77.03954	0.9
79.05491	27.6
81.03410	1.9
81.07059	21.4
83.04990	3.1
85.02900	0.9
87.04459	1.0
91.05481	55.7
93.07045	47.8
94.07336	1.0
95.04969	11.0
95.08105	0.8
95.08622	5.7
96.04401	0.6
97.02888	0.7
97.06532	3.0
97.88667	0.6
103.05482	1.5
103.42125	0.8
105.03398	2.2
105.07033	67.4
106.07324	1.4
107.04419	0.5
107.04955	17.4
107.08592	48.9
108.08911	0.9
109.06519	8.3
109.10172	4.5
111.04430	0.8
115.05457	1.9
116.00253	0.8
117.07005	3.4
118.07799	1.3
119.04948	9.9
119.08578	31.0
121.06533	2.1
121.10152	2.6
123.04445	4.9
123.08079	1.8
123.11701	2.9
125.05994	41.4
128.06207	2.6
131.08562	6.9
132.05685	2.1
133.02850	1.1
133.06505	4.3
133.10130	100.0
134.10490	2.8
135.08044	1.3
135.11699	22.8
136.12062	0.8
137.05988	12.1
137.09608	7.1
143.08578	3.9
146.07275	2.3
147.04425	6.5
151.07568	1.2
151.11194	4.6
161.06039	1.2
161.09625	80.5
161.13242	4.7
162.09946	2.7
165.06966	0.7
179.03403	4.9
179.06918	2.3
179.08334	5.4
179.10675	45.3
179.14226	5.2
179.53725	0.7
180.11014	1.3
180.13855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03951	1.0
55.01871	7.9
55.05513	5.6
56.96563	6.0
57.03439	0.9
57.07069	1.0
59.04991	1.6
60.97168	0.6
65.03938	1.7
65.58041	0.8
67.05509	11.0
67.73415	0.7
69.03433	9.7
69.07059	3.2
69.38017	1.4
69.38433	5.7
71.04995	1.8
73.02911	1.1
79.05495	11.8
81.03416	1.4
81.07059	19.4
83.04987	1.5
85.02898	1.9
91.05482	38.2
93.07043	28.0
95.04961	10.6
95.08607	10.3
95.28210	0.7
97.06538	1.1
103.05487	2.4
104.06328	0.8
105.03415	0.8
105.07029	52.5
106.07334	1.4
107.04955	3.0
107.08602	26.1
108.05781	0.9
109.02866	1.5
109.06521	12.7
109.10157	11.6
115.05464	1.8
117.07034	3.5
118.07813	1.2
119.04950	9.1
119.08579	38.1
121.06488	5.2
121.10140	4.0
123.04436	4.4
123.08074	7.0
123.11717	9.9
124.77746	0.7
125.05984	1.4
128.06197	4.1
131.08553	6.4
133.02794	1.1
133.06506	4.8
133.10130	100.0
134.10469	2.4
135.08075	2.6
135.11679	3.3
137.05966	3.5
137.09619	13.7
138.09073	0.8
143.08569	9.0
146.03625	1.0
146.07260	3.0
147.03343	1.3
147.04408	11.5
151.07532	1.8
151.11200	13.0
161.06018	5.0
161.09619	51.4
162.09155	2.4
163.03824	0.7
179.03424	5.9
179.06955	5.3
179.10670	46.0
180.11107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03938	1.7
53.07573	0.7
55.01873	6.8
55.05505	5.1
56.96547	2.2
57.03419	2.8
57.07067	1.1
57.67024	0.7
59.04985	1.4
65.03909	1.4
67.05506	10.8
69.03425	8.4
69.07066	4.7
69.68442	5.2
71.04974	3.2
73.02905	1.2
79.05493	8.9
81.03438	1.2
81.07059	24.5
83.04962	3.3
84.67578	0.9
85.02879	1.2
85.06529	1.2
91.05480	36.6
92.05788	0.9
93.06469	1.4
93.07044	24.2
95.04970	9.1
95.08605	10.0
97.06532	2.3
103.05461	1.3
104.06257	1.0
105.07030	53.0
106.07355	1.0
107.04960	1.9
107.08591	24.8
109.02864	0.9
109.06522	13.7
109.10166	12.6
115.05475	1.8
117.07008	3.5
119.04980	6.2
119.08578	39.3
121.06480	5.9
121.10139	4.5
123.04406	3.1
123.08059	7.2
123.11713	10.1
128.06276	4.5
131.08577	6.6
133.02870	1.3
133.06529	4.3
133.10127	100.0
134.10422	2.2
135.08038	3.0
135.11661	5.1
137.05975	3.9
137.09622	11.3
143.08560	9.0
145.06474	0.9
145.20602	0.7
146.07275	4.8
147.04390	7.0
151.07611	1.3
151.11186	15.0
161.05972	3.4
161.09621	48.9
161.13283	1.5
162.10057	1.3
179.03389	5.8
179.06970	3.9
179.10674	45.9
179.14233	4.9
180.11168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01859	3.4
55.05513	64.7
56.96553	1.4
57.03440	1.5
62.70575	0.7
62.88907	1.0
63.85261	0.8
65.03948	0.9
67.05502	8.9
69.03413	2.5
69.07063	5.5
70.94537	2.8
71.04990	1.3
75.21865	0.9
79.05495	22.8
81.03407	1.0
81.07058	21.6
83.04980	5.2
91.05486	48.3
93.07047	33.6
94.07393	1.0
94.80687	0.9
95.04982	8.2
95.08615	3.6
97.02918	0.9
97.06520	3.7
103.05481	1.6
105.03386	2.4
105.07033	67.8
106.44641	0.9
106.65580	1.1
107.04958	29.5
107.08594	27.7
108.05325	1.0
109.06517	6.7
109.10136	3.9
115.02800	1.1
115.05446	1.2
117.07009	3.1
118.07775	1.1
119.04961	9.7
119.08590	20.5
121.06481	3.7
121.10121	1.3
123.04417	5.9
123.08075	1.3
123.11712	3.1
125.05997	76.4
126.06305	1.6
128.06232	3.0
131.08559	4.5
133.06502	3.4
133.10135	100.0
134.10480	1.9
135.11691	8.5
137.05986	13.6
137.09590	4.3
143.08563	4.5
146.07269	3.0
151.07553	1.1
151.11124	4.7
161.09625	76.4
162.09944	2.7
179.03423	5.3
179.08755	1.7
179.10678	39.4
179.14195	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
50.33894	1.0
53.03933	3.3
55.01869	5.3
55.05510	58.0
59.04981	1.2
65.03928	1.3
67.05502	6.5
69.03427	3.2
69.07050	4.5
71.04996	1.7
71.34811	2.1
72.67149	1.2
73.02907	1.5
79.05061	1.9
79.05490	26.3
81.03410	1.6
81.07063	21.4
83.04984	5.0
84.72956	1.0
86.34019	0.9
91.05479	44.1
92.05814	1.3
93.07043	35.3
95.04973	7.9
95.08607	5.1
97.06516	4.5
103.05429	1.5
105.03432	1.5
105.04497	1.0
105.07027	54.2
106.07393	1.1
107.04948	27.6
107.08595	25.2
109.06512	6.5
109.10125	3.7
117.07015	4.4
118.07720	1.5
119.04941	11.3
119.08592	19.2
121.06448	2.7
121.10085	2.0
121.43111	1.0
123.04465	5.9
123.11715	2.7
125.05991	74.9
126.06339	1.1
128.06230	3.4
131.08546	4.3
133.06502	2.8
133.10124	100.0
134.10429	2.8
135.11684	8.9
137.05957	13.4
137.09578	3.4
143.08588	3.4
146.07243	3.0
147.04382	3.4
151.11183	6.2
161.05916	2.1
161.09619	71.9
162.10066	1.2
179.03352	5.3
179.07179	2.1
179.10664	41.2
179.14296	3.7
188.28194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
54.94664	0.4
55.01868	0.7
55.03005	0.5
55.05504	0.9
56.01391	2.2
65.03910	0.7
67.05492	1.7
68.05043	2.6
69.04549	0.9
69.07056	0.5
70.06605	0.5
71.60990	0.6
73.33781	0.3
79.05489	1.0
81.04552	0.4
81.07057	2.6
83.04994	0.9
83.06099	0.6
91.05480	14.3
93.07039	1.4
95.04965	1.1
95.06091	8.4
95.08621	1.8
96.05630	1.8
97.04012	3.4
97.07629	0.4
99.04479	0.4
105.07047	2.8
107.04954	0.6
107.08594	1.8
109.06508	0.6
109.10128	0.9
110.07138	1.7
119.04945	31.4
119.08598	2.1
120.05569	1.9
121.10132	1.0
122.07155	0.8
123.04408	1.3
123.08044	0.8
123.11721	0.7
124.08726	0.5
125.05944	1.1
133.02850	0.5
133.06511	0.7
133.10133	3.9
135.11702	0.6
137.06012	0.8
137.08226	26.2
138.06615	1.2
147.04408	100.0
148.04733	2.2
151.11111	0.7
153.08031	0.4
161.05971	1.4
161.08211	1.3
161.09653	2.7
161.13298	1.5
162.10374	0.6
165.05466	0.5
173.96490	0.4
179.03392	6.7
179.07121	4.4
179.09279	5.2
179.10701	2.3
179.12914	1.4
179.14325	2.0
188.07144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03941	1.4
55.01875	32.4
55.05522	3.9
56.96558	5.9
57.03439	4.3
59.05027	1.7
64.20700	1.1
65.03939	2.8
67.05511	6.0
68.05029	2.2
68.99783	1.5
69.03436	4.4
69.07069	3.4
71.04996	2.6
71.13071	2.8
73.02917	1.2
74.48857	1.2
79.05496	6.3
79.97955	1.2
81.03426	1.4
81.04533	1.6
81.07063	10.5
83.04996	3.5
84.62315	1.1
85.02930	1.5
85.11104	1.3
89.03964	1.4
91.05482	50.7
93.07063	10.0
95.04979	9.2
95.06097	3.8
95.08600	8.1
96.08952	1.2
97.06536	1.6
97.07641	1.3
98.98502	2.5
99.04463	2.5
103.05497	5.2
105.03384	1.5
105.07032	31.2
105.07674	2.2
107.04976	3.8
107.08598	8.2
108.04454	1.6
109.06553	4.1
109.10191	4.2
110.07189	1.5
112.07620	3.3
115.05461	2.5
117.03364	1.8
117.07049	1.5
118.04198	5.2
119.04944	57.2
119.08594	10.9
120.08189	2.7
121.06512	2.6
121.10174	3.6
123.04430	13.2
123.08089	3.8
125.06035	1.8
131.08496	1.7
133.02869	6.1
133.06483	23.7
133.10129	19.5
134.06017	1.8
134.07120	1.1
135.04456	3.9
135.08110	2.4
135.11734	3.0
136.02202	1.5
136.05200	8.6
136.08755	1.4
137.06012	5.4
137.08234	7.7
137.09656	4.8
138.06718	1.6
138.09154	1.7
143.08676	1.6
146.03632	12.4
147.04414	100.0
151.03966	2.4
151.07559	6.9
151.11206	2.3
161.05988	58.4
161.09610	10.3
161.13338	4.8
162.06523	1.4
162.09167	6.4
164.04852	1.5
172.95258	2.3
174.49660	1.2
179.01846	2.5
179.03421	36.1
179.07079	58.8
179.09233	3.2
179.10747	16.9
179.13020	1.8
179.14217	6.7
180.10255	5.4
185.71632	1.2
190.54741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
55.01872	32.0
56.96551	3.0
57.03430	2.1
65.03927	2.4
67.05492	2.5
68.05041	1.4
69.03419	2.4
69.04545	0.8
69.76302	1.8
69.76725	4.4
79.05489	4.7
81.04518	1.0
81.07036	3.0
82.06560	0.9
82.41399	0.7
83.04992	1.1
83.06096	1.4
89.03968	1.5
91.05482	49.1
93.07036	2.2
95.04982	6.5
95.06086	2.2
95.08591	2.5
97.07617	0.9
98.20718	0.8
99.04490	0.8
103.05438	4.4
105.03377	1.8
105.07034	22.7
107.04936	2.2
107.08602	2.1
108.05742	1.5
109.02901	1.1
109.06536	2.0
109.10153	1.2
110.01293	0.8
110.07152	1.1
115.05475	3.6
118.04150	5.2
119.04946	64.4
119.08589	5.2
121.10139	0.8
122.03577	0.8
123.04436	4.7
123.08030	2.3
133.02852	2.1
133.06499	22.6
133.10094	5.0
134.07031	0.9
135.04390	2.3
135.08054	1.0
135.11674	0.9
136.05196	8.2
137.06023	5.4
137.08223	5.6
137.09566	1.2
146.03630	13.5
147.04411	100.0
148.04759	2.3
151.03909	2.1
151.07520	3.3
151.11203	1.2
152.08246	1.0
161.05983	61.1
161.09637	2.3
161.13237	2.0
162.06441	0.9
162.09132	1.4
163.04021	1.0
164.04689	2.8
179.03455	8.9
179.07048	53.5
179.09268	1.9
179.10410	3.9
179.12892	0.8
179.14334	2.7
180.07532	1.2
189.44591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03939	1.7
55.01873	26.6
55.05497	1.4
56.96561	3.4
57.03437	5.7
59.04968	1.0
65.03934	2.8
67.05499	4.5
69.03420	2.7
69.04554	0.9
69.39613	8.0
71.04990	1.9
73.02941	1.0
76.02225	1.2
76.24818	0.8
79.05496	9.8
81.03420	1.9
81.04521	1.0
81.07047	5.7
83.04984	2.1
83.06105	1.4
85.02919	1.5
89.03938	1.3
91.05484	44.5
93.07051	6.0
95.04979	9.6
95.06039	1.7
95.08611	5.2
96.05583	0.8
97.02889	3.2
97.06592	0.8
98.20623	0.9
99.04444	0.9
103.05424	3.9
105.03389	26.0
105.07031	21.3
107.04954	3.6
107.08598	2.3
108.04474	1.0
108.05733	2.0
109.02923	1.1
109.06517	2.7
109.10172	4.2
112.07627	1.0
115.05460	3.4
117.07029	1.1
118.04192	4.0
119.04942	60.4
119.08577	11.0
120.05579	0.9
121.06501	2.1
121.10126	1.9
123.04421	12.0
123.08103	2.0
123.11710	2.8
131.04897	1.1
131.08582	1.1
133.02837	3.4
133.06502	19.5
133.10123	9.4
135.04424	2.5
135.08105	1.2
135.11694	2.4
136.05203	8.4
136.08669	0.9
137.05989	6.3
137.08231	4.8
137.09592	2.7
138.06638	1.7
143.08614	0.9
146.03629	11.4
147.04410	100.0
148.04826	2.2
151.03952	0.8
151.07547	5.7
151.11195	1.5
152.08159	1.3
161.05986	49.1
161.08153	1.3
161.09656	3.4
161.13261	2.2
162.06622	1.0
162.09200	3.0
164.04764	1.9
165.05437	0.9
167.21848	0.9
179.03423	18.0
179.07056	58.5
179.10464	6.4
179.14326	3.7
180.10164	1.3
189.09775	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
56.96572	0.8
57.14883	0.3
59.06118	0.5
67.05498	0.5
68.05022	0.4
70.06596	0.4
71.41293	0.7
80.05022	0.3
80.32931	0.3
81.03448	0.3
81.04539	0.4
81.07063	0.4
83.04982	0.3
83.06108	0.8
88.02225	0.6
89.03905	0.4
90.04264	0.6
91.05476	1.0
93.07072	0.6
94.06582	0.4
95.06103	0.7
105.07045	1.2
106.06607	0.4
107.04982	0.3
107.08583	0.8
108.08130	0.4
110.07140	0.7
115.05464	0.4
117.03389	0.5
117.07050	0.5
118.03745	1.0
118.06541	7.1
118.07356	0.5
118.96778	0.8
119.04926	0.9
119.07334	7.7
119.08122	0.6
122.07163	0.3
123.04445	1.0
123.05424	0.3
132.08109	1.4
133.02859	0.8
133.06488	0.7
133.10164	0.6
134.09657	50.5
135.10008	1.3
136.95680	0.3
137.08234	1.1
138.07922	0.3
145.02837	0.5
146.03180	2.6
147.04425	0.7
151.03893	0.6
151.09848	0.6
154.96466	0.5
155.99657	0.3
160.11227	0.7
161.06012	0.6
161.09535	0.5
162.09167	2.4
163.09935	1.1
174.00801	0.8
178.12274	100.0
179.03375	3.8
179.06937	0.7
179.09290	0.7
179.10707	0.3
179.12701	2.6
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
55.01865	2.3
55.05513	0.6
56.96331	0.8
56.96563	7.7
57.07077	0.7
58.99828	0.7
67.97907	0.6
69.48634	1.3
69.49043	4.3
72.75271	0.6
73.02906	0.6
78.47097	0.6
79.05458	0.6
81.03431	0.8
82.01427	1.3
91.05461	1.8
91.70634	0.6
95.04958	0.7
95.06107	1.4
95.08582	0.7
95.22392	0.6
97.99161	0.9
98.20753	1.2
98.97578	2.1
100.02493	8.3
101.00880	12.4
103.02417	0.8
105.07028	0.9
108.04490	0.8
109.02889	0.8
115.01165	2.6
115.02419	1.5
116.00212	0.8
116.01955	1.8
116.98662	1.6
118.01157	0.6
118.03521	5.6
118.22829	0.6
119.01920	100.0
119.04945	2.1
120.02025	3.5
121.03515	0.8
123.04424	0.8
126.02616	0.7
133.01572	3.9
133.03468	15.3
133.06451	1.2
133.10162	1.2
134.02982	12.2
134.99648	0.9
137.02959	46.0
137.08176	1.5
138.03052	2.3
139.03510	1.3
142.03503	3.7
143.01836	1.1
147.04401	4.7
151.02676	1.3
151.04547	6.8
152.04042	2.1
155.99675	3.3
156.01625	0.6
156.03238	2.0
156.05067	9.7
156.06259	0.8
157.03448	1.3
157.04610	6.8
160.04543	0.9
161.02959	22.8
161.04417	0.9
161.05962	1.4
161.74373	0.6
162.03221	1.1
174.00735	6.2
174.04587	1.1
174.06155	4.9
175.02817	0.9
179.04025	43.8
179.06822	2.3
179.09286	1.0
179.10693	1.3
180.04097	2.0
184.04533	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	0.4
55.01875	1.1
55.05510	0.7
56.05042	0.9
56.39359	0.3
56.79521	0.3
56.96572	2.2
57.03425	1.0
59.04993	0.4
59.06133	0.4
59.93114	0.4
60.04521	0.4
64.41002	0.4
65.03937	0.4
65.91483	0.3
67.05502	1.0
68.05032	1.0
69.03423	0.9
69.04547	0.7
70.06590	0.7
70.74249	0.8
71.04984	0.4
73.02921	0.6
77.94126	0.3
79.05499	1.0
80.05009	0.5
81.04546	1.0
81.07095	0.6
83.04989	0.9
83.06106	1.4
84.04514	0.4
84.08143	0.6
85.02897	0.7
88.02202	1.7
88.05917	0.3
89.03912	1.1
90.04238	1.8
91.05495	2.3
93.07042	1.3
95.04974	1.1
95.06075	1.8
95.08612	0.5
96.04491	0.6
96.05638	0.4
96.78399	0.3
97.02895	0.3
97.06460	0.5
97.07652	0.8
98.07220	0.6
98.97573	0.8
99.04470	0.8
105.03366	0.8
105.07024	2.3
107.04974	0.4
107.06088	0.3
107.08589	0.8
109.06506	0.6
109.07651	0.6
110.06043	0.4
110.07165	1.4
115.05585	0.3
116.98608	0.4
117.03384	0.9
117.05630	0.5
117.07041	1.1
118.03719	3.3
118.06540	4.9
118.07340	0.5
118.96750	1.8
119.04952	1.9
119.07337	5.9
119.08601	0.7
120.05621	0.4
121.06499	0.4
121.10197	0.3
122.07145	1.0
122.10465	0.4
123.04431	2.5
123.05505	0.5
132.04468	0.6
132.08035	0.8
133.02858	2.7
133.06482	0.8
133.10126	1.4
133.99092	0.4
134.09651	45.2
134.99680	0.7
135.09105	0.4
135.10017	1.1
136.03870	0.4
136.07588	0.5
137.05957	1.1
137.07104	0.5
137.08206	3.9
138.06615	0.6
138.09010	0.5
145.02829	0.7
146.03169	5.6
147.03331	0.5
147.04362	3.0
150.06343	1.4
150.10196	0.3
151.03911	1.5
151.07549	0.4
151.09793	1.2
151.11011	0.3
152.08174	1.0
154.96478	0.6
155.99693	0.5
160.07498	0.4
160.11227	0.6
161.02260	0.4
161.05980	1.5
161.08214	0.6
161.09509	0.5
162.06651	0.4
162.09164	1.8
163.06290	0.5
163.09793	0.4
172.95221	1.1
174.00763	1.3
177.98076	0.5
178.04961	1.7
178.06250	1.6
178.11029	4.0
178.12265	100.0
179.03392	10.4
179.07126	2.1
179.09444	1.7
179.10712	1.4
179.12633	2.9
179.14218	0.6
190.96326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
50.35301	0.3
56.96577	0.6
63.94289	0.2
67.05506	0.3
69.99039	1.7
79.05482	0.4
81.07079	0.5
83.05007	0.3
85.06770	0.3
85.21765	0.3
87.29926	0.2
88.02211	0.5
91.05487	0.9
92.04998	0.3
93.07018	0.4
95.04990	0.3
95.06080	0.4
98.20799	0.4
98.37743	0.3
104.47703	0.2
105.07040	0.6
107.08607	0.6
115.05449	0.4
117.07023	1.1
118.03742	0.9
118.05279	0.3
118.06544	5.1
118.96799	0.4
119.07323	6.0
119.08617	0.4
123.04429	0.4
128.49712	0.3
132.08133	0.6
133.02843	0.7
133.08980	0.3
133.10123	0.5
134.09656	45.7
135.09998	1.2
137.08203	0.7
146.03220	1.2
147.04433	0.7
147.10310	0.3
150.41672	0.3
155.99716	0.4
160.11250	0.5
161.05951	0.5
162.09122	1.3
163.09949	0.7
178.12270	100.0
179.03357	2.2
179.09276	0.3
179.12651	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05517	9.6
67.05503	3.2
67.16377	1.2
69.07076	22.8
69.29124	10.3
69.29547	5.3
71.08647	1.5
79.05492	12.2
81.07056	11.1
83.08624	14.8
89.03920	5.9
91.05460	7.3
93.07053	24.4
95.08612	33.5
97.10162	1.8
98.20775	2.5
105.07022	6.2
107.08599	69.7
109.10142	12.7
117.03403	7.9
119.08596	3.1
121.10149	100.0
122.10458	1.8
123.08111	2.3
126.58765	1.4
134.03609	1.4
135.11691	15.4
145.02849	14.2
149.02287	1.6
149.05939	2.8
149.13249	5.6
163.12749	1.3
172.95285	1.3
177.05476	6.4
177.12842	1.9
177.16406	63.2
178.16721	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.72714	0.9
55.05507	7.9
57.07070	2.0
61.55214	0.9
67.05515	4.5
69.07069	25.7
69.47369	7.1
79.05488	9.8
79.45549	1.0
81.07058	14.0
83.08620	16.6
89.03931	4.8
91.05481	5.2
93.06472	1.6
93.07048	25.3
95.04959	1.3
95.08610	36.3
97.10173	2.8
97.54910	1.0
105.07023	5.3
106.04167	0.9
107.08597	68.9
108.08925	1.4
109.10159	12.3
110.72241	0.9
117.03401	8.6
119.08588	1.8
121.10146	100.0
122.10452	1.4
123.08067	1.2
135.04440	1.2
135.11703	17.6
145.02856	14.1
149.05994	3.3
149.13248	7.0
170.96440	0.9
175.98328	0.9
177.05463	6.4
177.16394	78.2
178.16719	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
55.01871	0.4
57.09681	0.3
58.66931	0.3
71.51065	0.6
78.04725	0.6
79.05498	6.2
89.03464	0.3
89.03898	1.9
90.04713	1.3
91.05495	0.7
95.04971	0.5
102.04713	0.4
103.05458	0.7
104.06262	2.0
105.03369	0.6
105.07059	0.4
106.18127	0.4
107.04966	4.1
117.03390	6.6
118.04173	29.9
119.04415	0.5
119.08565	0.6
123.04481	0.4
126.86832	0.3
131.04930	6.2
132.05722	18.3
133.06139	0.8
133.10141	1.1
135.04430	6.3
145.02887	1.0
146.03638	100.0
147.03951	2.8
149.05945	0.5
151.07477	0.4
160.05203	6.6
161.05991	0.8
163.03918	25.6
164.04300	0.8
178.06264	58.4
179.03374	0.9
179.06609	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
66.70045	0.5
67.05522	0.6
69.07102	0.5
74.78215	0.5
78.04735	1.0
79.05489	7.1
81.07070	1.1
83.05038	0.5
88.02248	1.0
89.03941	2.1
90.04266	1.6
90.04752	1.1
91.05491	2.5
93.07072	1.0
95.05015	0.8
95.08638	1.5
97.35506	0.5
104.06258	1.8
105.03413	0.8
105.07068	1.2
107.04992	4.1
107.08597	1.0
108.08926	0.9
117.03371	7.6
118.04194	31.3
119.05006	3.4
119.08590	0.9
121.10168	0.8
122.10523	1.1
125.71223	0.5
131.04929	5.8
132.05716	18.6
133.10138	1.5
135.04431	7.1
145.02867	1.7
146.03642	100.0
147.04440	8.4
149.06039	0.7
150.06346	1.3
160.05191	5.9
161.05980	0.9
161.09633	0.6
163.03912	24.3
164.04192	1.1
178.06262	61.2
178.08752	2.1
178.16771	1.1
179.03441	1.9
179.06657	2.8
179.10677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.05509	10.4
57.07069	1.4
60.77802	0.5
65.03924	0.9
65.13683	0.6
67.05505	8.4
68.05007	0.6
69.03416	1.0
69.07067	21.9
70.99501	1.5
78.04691	0.9
79.05492	14.5
80.05013	0.5
81.07055	21.9
83.04943	0.7
83.08611	14.8
85.01141	0.6
87.05618	0.8
89.03908	10.6
89.04417	1.0
91.05477	9.5
93.07040	34.8
95.04962	2.1
95.08604	49.7
96.04466	1.0
97.04789	0.7
97.10153	2.9
98.98457	2.4
103.05458	2.3
105.07020	8.3
106.04169	1.7
107.08591	67.7
108.08937	0.9
109.06516	1.4
109.10148	15.3
112.02143	0.9
113.02519	0.8
115.05441	0.7
117.03377	19.1
117.07012	1.7
118.03713	0.7
118.06591	0.7
119.06860	1.8
119.08538	2.5
120.37572	0.5
121.06502	2.3
121.10137	100.0
122.10481	1.6
123.08029	0.9
123.11750	0.7
127.00301	0.6
130.06517	0.6
131.04869	1.0
131.06892	5.2
131.08521	3.0
131.43300	0.5
133.10155	1.4
134.03624	2.7
135.04419	1.9
135.08061	1.4
135.11682	18.3
145.02837	30.9
146.03107	1.4
149.02301	2.7
149.05975	8.3
149.09639	0.8
149.13268	6.8
158.24319	0.6
159.06357	2.1
159.07985	0.9
159.11716	2.8
159.16283	0.8
162.03102	1.0
177.02237	1.0
177.05464	15.6
177.07422	1.7
177.08875	2.8
177.12924	5.8
177.16377	75.8
178.01534	1.3
178.08612	0.8
178.16702	1.5
186.05495	1.7
196.67018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62822	1.5
55.05496	9.7
67.05502	5.8
69.07072	24.0
71.21465	4.0
79.05502	12.2
81.07066	16.3
83.08622	14.9
88.05240	1.4
89.03926	8.4
90.52314	1.3
91.05492	9.7
93.07049	28.7
95.08051	2.7
95.08610	36.7
97.10194	3.3
98.98455	3.2
100.40585	1.6
105.07027	7.3
107.08601	66.5
109.10184	9.6
117.03396	15.4
121.06489	2.2
121.10149	100.0
123.07986	2.0
133.10188	2.9
134.03619	1.8
135.04370	2.0
135.11688	18.7
136.93079	2.1
144.15044	1.6
145.02837	26.4
149.02336	2.4
149.05959	5.1
149.13249	5.6
154.94165	6.8
166.32762	1.5
172.95267	14.2
177.05505	14.2
177.09105	1.8
177.12868	3.3
177.14819	3.3
177.16388	67.4
190.96320	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05513	12.2
67.05486	7.0
69.07066	20.6
69.26705	10.5
69.27127	11.1
74.68937	1.8
75.91072	1.5
77.55349	2.0
79.05495	16.1
81.07056	21.2
83.08613	13.5
83.89212	1.7
85.05975	1.7
91.05428	8.9
93.07044	34.7
95.08609	50.8
97.10147	4.6
98.98476	3.2
102.76025	1.7
105.07041	9.2
107.08593	83.0
109.10160	10.7
117.03371	4.0
119.08593	3.2
121.06502	2.0
121.10146	100.0
131.08546	2.7
133.10129	2.9
135.11688	15.0
145.02835	3.5
149.02330	6.5
149.05957	2.5
149.13274	8.2
158.27591	1.9
159.08102	2.8
159.11800	3.4
177.05446	6.7
177.09073	4.3
177.12808	9.1
177.16379	65.7
178.08633	3.7
190.86270	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01862	2.3
55.05514	6.2
60.00012	1.1
67.05501	7.1
69.03427	12.7
69.07068	14.0
71.04981	1.2
71.58115	1.8
79.05489	12.9
81.07053	15.5
83.04983	3.5
83.08618	7.6
85.02885	1.4
89.03909	5.2
91.05476	21.7
93.06474	2.3
93.07040	34.7
95.04961	3.9
95.08613	25.8
97.06522	6.9
98.98457	6.5
101.23277	1.2
103.05453	2.0
105.04527	1.3
105.07027	18.5
107.04944	5.7
107.08594	55.6
109.06521	3.7
109.10147	6.0
110.21946	1.2
111.02031	1.1
117.03387	8.5
117.06281	1.3
117.06991	6.9
119.08591	16.0
121.02900	1.7
121.06508	14.5
121.10136	48.4
123.08036	2.1
124.09436	1.1
129.07013	2.9
131.04918	2.3
131.08549	18.1
133.10133	14.3
134.03676	1.6
135.04440	1.3
135.08040	16.3
135.11700	20.8
144.09343	7.8
145.02859	11.5
148.36168	1.3
149.02319	10.4
149.06015	5.5
149.09616	20.3
149.13260	7.4
149.14241	1.2
157.10143	1.8
159.08054	5.6
159.11687	31.6
162.03123	1.4
162.05049	1.4
177.05470	12.9
177.06860	1.7
177.09122	8.6
177.12746	100.0
177.16353	35.5
178.05043	1.8
178.08615	6.7
178.13080	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	177.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
52.58317	1.1
52.83529	1.0
53.03926	3.3
55.01864	1.8
55.05510	11.8
57.03421	1.2
57.07059	2.3
67.05505	8.4
69.03087	1.4
69.03429	20.5
69.06725	1.9
69.07069	30.1
71.04980	1.3
76.88018	1.1
79.05501	18.0
81.07053	24.3
83.04970	3.3
83.08617	15.5
85.06536	1.9
88.02188	1.2
89.03914	1.7
91.05481	21.4
93.07046	43.9
95.04977	2.6
95.08612	43.0
97.06526	10.7
97.10156	3.7
98.98460	5.3
103.05482	1.7
105.07027	21.8
106.32070	1.1
107.04923	1.7
107.08598	82.1
108.08920	1.9
109.06500	4.4
109.10149	13.2
115.05465	1.4
117.03376	3.6
117.07034	7.5
119.08579	18.6
121.06519	10.2
121.10146	100.0
122.10498	1.2
123.08043	3.0
129.06999	4.3
131.04903	1.5
131.08562	19.6
133.06488	1.7
133.10143	19.4
134.03596	1.8
135.08058	22.8
135.11696	38.5
144.09367	9.1
145.02855	4.2
147.11720	2.6
149.02347	5.3
149.05972	1.8
149.09628	28.0
149.13263	10.8
155.94377	1.3
157.10065	1.9
159.08104	2.8
159.11699	43.5
159.13045	2.4
162.03120	2.9
162.10359	1.7
177.05475	12.8
177.09135	4.7
177.12761	87.5
177.16385	69.9
177.18025	1.5
178.13123	2.9
178.16731	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03949	5.1
55.01876	2.6
55.05263	1.5
55.05512	21.2
57.03439	4.6
57.07060	3.2
58.63378	0.9
65.03941	2.6
67.05170	1.3
67.05503	15.0
69.03427	5.0
69.07069	35.1
71.01363	1.0
71.04996	8.4
71.60007	1.7
78.04712	4.3
79.05493	43.6
80.05827	1.1
81.03410	1.6
81.07057	43.3
83.04977	2.5
83.08621	10.9
89.03920	37.2
89.04484	1.3
91.05483	37.2
93.07047	70.7
95.04964	11.4
95.08606	30.1
97.06507	2.6
97.10162	1.3
98.98465	9.7
103.05474	6.7
105.03371	1.1
105.04493	1.8
105.06393	1.5
105.07040	23.9
106.04177	10.5
107.04986	9.7
107.08597	59.6
108.08913	1.8
109.06510	10.4
109.10151	6.6
115.05436	2.5
116.06246	1.4
117.03384	67.7
117.06220	1.3
117.07024	18.7
118.03616	1.5
119.04965	1.4
119.08586	14.8
121.02884	2.5
121.06498	20.7
121.10146	48.5
123.08046	1.6
124.05174	2.1
129.07010	4.9
130.07809	3.9
131.04910	5.0
131.08572	24.2
132.05690	1.2
133.06491	1.3
133.09224	1.2
133.10124	7.7
134.03632	10.9
135.04437	10.6
135.08080	9.2
135.11694	13.9
136.08745	0.9
144.09338	5.9
145.02847	100.0
146.03595	5.2
147.11656	1.0
147.58264	0.9
148.08797	1.3
149.02365	7.7
149.05981	40.1
149.09604	3.0
149.13266	12.6
150.06277	1.3
154.56253	1.1
157.10121	1.1
158.06010	2.5
159.08060	4.0
159.11694	17.8
162.03104	3.7
163.03876	5.3
177.05475	62.7
177.09042	9.6
177.11211	2.0
177.12758	32.0
177.16399	31.0
177.17604	0.8
178.06073	4.4
178.08629	2.0
184.45694	1.1
186.05504	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03942	2.0
55.01873	12.9
55.05518	10.0
57.03426	1.4
57.07065	1.4
65.03920	1.6
67.05502	4.3
69.03434	5.0
69.06725	1.4
69.07069	17.3
72.22236	1.0
75.76859	0.9
79.05486	12.9
80.91695	0.9
81.07056	11.3
83.04984	1.9
83.08620	11.6
88.02222	1.1
89.03907	3.0
91.05476	19.0
93.07046	43.7
95.04955	3.5
95.08613	23.7
97.10175	1.5
98.98500	5.5
103.05489	4.6
105.07027	21.8
107.04955	2.4
107.08595	73.0
108.08935	1.7
109.06514	2.6
109.10155	8.3
115.05446	1.6
116.06234	2.3
117.03359	5.4
117.07018	6.6
119.08568	13.1
121.02824	1.0
121.06498	8.8
121.10140	68.0
123.08102	1.3
129.06998	1.6
130.07719	1.0
131.04945	4.4
131.08578	19.1
133.10132	58.4
134.03612	2.9
134.10439	1.3
135.04420	1.2
135.08067	8.8
135.11690	42.4
136.08444	0.9
136.12054	1.0
144.09351	5.0
145.02837	6.9
147.08028	1.6
149.02335	7.5
149.06013	7.6
149.09633	13.0
149.13254	13.4
155.01826	1.4
157.10146	1.5
159.04396	1.4
159.08069	4.4
159.11694	28.6
159.13040	1.4
162.03180	6.3
162.10390	3.0
163.06444	0.8
171.01378	4.4
171.62321	0.9
177.05482	23.2
177.09142	18.0
177.12759	100.0
177.16371	38.9
178.08662	1.9
178.13123	3.2
186.05495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
52.66533	2.4
53.03941	4.6
55.05496	10.7
56.96556	6.7
65.03933	2.4
66.18437	2.4
67.05487	12.4
69.03427	4.1
69.07067	16.9
69.85206	6.0
69.85620	9.6
79.05141	2.5
79.05503	28.9
81.03419	2.8
81.06584	3.5
81.07055	47.8
83.04984	3.8
83.08610	9.3
84.34099	2.8
88.02219	4.2
89.03909	11.9
91.05482	38.5
93.06471	5.3
93.07044	74.7
95.04960	6.5
95.08608	35.3
97.06512	5.3
98.20773	2.7
98.98456	30.5
103.05473	4.2
105.07034	29.4
106.04219	3.9
107.04980	5.8
107.08596	65.7
109.06517	8.9
109.10152	7.7
111.00129	2.3
117.03387	23.3
117.07028	16.3
118.06599	2.7
119.04903	2.7
119.08578	78.9
121.02843	6.4
121.06496	11.8
121.10141	64.6
131.04938	3.4
131.08565	30.2
133.06500	3.2
133.10139	24.0
134.03604	3.3
135.04424	7.2
135.08046	10.1
135.11705	20.3
137.09593	4.3
144.09258	13.0
145.02844	34.1
149.02348	33.1
149.05959	13.5
149.09631	9.7
149.13266	26.0
153.59375	2.4
153.93733	4.7
157.83334	2.6
159.08043	7.6
159.11690	53.4
163.03903	5.8
177.05467	41.3
177.06824	5.4
177.09018	15.9
177.12753	100.0
177.16371	42.8
178.04913	3.6
178.08611	9.4
178.13042	2.7
186.05409	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03941	1.4
55.01617	1.1
55.01869	13.3
55.05508	5.7
57.03422	1.4
57.07069	1.1
67.05496	3.1
69.03425	6.1
69.06721	1.2
69.07069	14.6
70.42500	2.5
71.04957	1.1
75.11131	0.6
79.05492	9.8
81.07059	9.3
83.04970	2.1
83.08616	8.1
89.03886	1.4
91.05473	15.8
93.07040	35.8
94.07391	0.9
95.04965	3.0
95.08598	15.0
97.06500	1.2
98.98460	3.2
103.05471	1.3
105.06308	0.8
105.07024	17.0
107.04946	2.7
107.08588	66.3
108.08924	1.0
109.06513	3.0
109.10152	5.7
116.06252	1.1
117.03352	2.2
117.06998	5.1
119.08572	14.0
121.06495	9.7
121.10138	55.2
122.10476	1.0
123.08076	1.5
129.06998	2.9
131.08559	14.4
133.10123	65.1
134.10490	2.8
135.08069	9.2
135.11684	46.6
136.12001	0.8
144.09326	4.9
145.02849	3.3
147.08046	1.1
149.02324	4.3
149.06004	1.9
149.09586	5.2
149.13251	15.0
159.08092	3.6
159.11685	25.2
162.10420	3.0
177.05473	3.1
177.09244	9.1
177.12746	100.0
177.16344	29.8
178.05119	0.9
178.08601	1.9
178.13078	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.98822	0.3
51.87982	0.2
55.01860	0.9
55.05499	1.1
59.04950	0.3
66.24222	0.3
67.05519	1.4
69.03417	0.5
69.07085	1.5
70.48611	1.1
71.04980	0.4
79.05494	2.6
81.07056	3.5
83.04983	12.4
83.08613	0.7
84.21091	0.3
89.03910	2.0
91.05482	3.3
93.07045	7.8
95.04977	1.3
95.08612	3.9
97.06532	7.2
98.98456	1.3
103.05476	0.7
105.07026	3.1
106.04181	0.4
107.04927	1.0
107.08596	7.6
109.06509	0.9
109.10123	0.4
117.03378	3.4
117.07017	4.0
119.08583	16.0
120.08906	0.7
121.06517	5.1
121.10145	3.6
123.08084	0.4
129.07013	0.6
131.08559	3.8
133.10141	4.2
134.03645	0.7
134.07269	0.3
135.04427	0.4
135.08043	2.1
135.11684	2.1
144.09363	0.7
145.02847	5.8
147.08041	2.2
148.08818	0.7
149.02383	1.5
149.05951	1.8
149.09579	0.8
149.13280	1.3
159.08008	0.5
159.11702	6.0
162.03165	0.6
162.10400	7.1
162.11665	0.6
177.05492	4.2
177.12747	100.0
178.08614	0.6
178.13129	3.6
178.40843	0.3
179.25957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	7-Methoxy-1-methyltetralin
Peak:m/z	Relative Intensity
53.03955	0.5
55.01863	0.4
55.05502	0.7
67.05517	0.9
69.07075	1.0
69.58352	1.1
69.58759	0.9
71.28712	0.3
79.05492	0.9
81.07044	1.2
83.04954	0.3
83.08652	0.5
83.37108	0.3
89.03918	0.9
91.05476	2.9
93.07046	4.3
95.04972	1.1
95.08612	1.6
97.06548	0.3
98.20773	0.3
98.98488	1.6
103.05459	0.5
105.07018	0.9
105.29484	0.3
106.04198	0.6
107.08574	2.3
109.10118	0.4
117.03387	1.8
119.08615	0.6
121.06504	100.0
121.10133	3.5
122.06847	2.0
131.04965	0.3
131.08545	1.8
133.10129	0.7
134.03659	0.5
135.08049	1.1
135.11722	0.8
145.02846	2.9
149.02341	1.1
149.06023	1.6
149.09694	0.3
149.13264	0.6
159.07953	0.3
159.11700	1.2
177.05475	2.9
177.07707	0.4
177.09155	1.7
177.12746	10.4
177.16333	2.1
178.08591	0.5
186.05498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
52.77647	0.7
53.03932	2.3
55.01878	3.9
55.05505	4.4
56.71932	0.7
56.96545	0.8
57.03413	1.4
63.02378	0.7
64.15388	0.7
65.03928	1.8
67.05502	19.4
67.05859	0.7
68.99770	0.9
69.03410	1.5
69.07063	9.8
70.69384	0.6
70.69716	2.0
75.07380	0.7
77.03925	1.1
78.04690	1.5
79.05486	23.8
81.03417	4.7
81.07050	31.7
82.07355	1.1
83.04993	3.4
83.08620	4.3
85.06525	1.4
88.02195	1.1
88.59202	0.7
89.03400	1.1
89.03915	15.2
91.05473	33.0
93.07037	51.3
94.07384	1.2
95.04954	11.1
95.08043	1.2
95.08601	13.7
97.06510	6.8
98.98452	4.7
99.08102	0.8
103.05450	6.2
105.07021	15.3
106.04173	7.4
107.04965	6.8
107.08584	25.2
107.60964	0.7
107.84300	0.6
109.06533	3.6
109.10148	3.8
111.08070	2.6
115.05454	1.5
117.03374	23.5
117.07008	19.0
118.04170	0.7
118.06514	1.0
119.04945	0.9
119.08549	6.9
120.08069	0.7
121.06501	12.7
121.10133	24.4
123.08047	0.7
124.05183	1.0
129.07014	1.5
130.07700	1.4
131.04909	3.9
131.08563	21.8
133.10123	30.1
134.03625	5.6
135.04410	4.2
135.08051	7.8
135.11682	11.4
144.09308	1.8
145.02837	35.3
146.03461	2.0
147.04395	0.8
147.07997	0.9
148.07549	0.9
149.02324	5.1
149.05969	19.8
149.09625	4.5
149.13251	15.3
159.08064	3.4
159.11678	39.3
160.11998	0.9
162.03096	3.6
163.03871	1.5
177.05461	35.5
177.09102	8.0
177.12737	100.0
177.16283	13.3
178.05984	2.4
178.08611	2.5
178.13065	2.7
186.05492	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
50.13015	0.3
53.03940	0.3
55.01862	0.5
55.05490	0.5
63.02360	0.7
66.23804	0.3
67.05487	0.4
69.03442	0.4
69.07059	1.2
70.97216	0.3
71.60916	0.3
71.61327	0.5
73.82323	0.3
78.04693	1.3
79.05495	1.8
81.07077	1.6
81.07469	0.3
83.08602	0.7
89.03918	26.3
90.04231	0.5
91.05479	8.2
93.07037	3.6
94.07406	0.3
95.04955	1.6
95.08602	2.4
97.32706	0.3
98.98481	2.1
103.05469	2.7
105.03362	0.4
105.07039	2.1
106.04188	3.0
107.04968	0.8
107.08588	4.3
109.06490	0.7
109.10133	0.5
115.05457	4.2
116.06244	1.3
117.03381	50.3
117.07017	9.7
118.03731	1.1
119.04953	2.4
119.08566	1.0
121.06512	9.4
121.10143	4.6
124.05218	0.5
129.07056	0.4
131.04915	3.4
131.08577	1.8
132.05772	0.4
133.06488	2.4
133.10118	0.7
134.03641	6.4
134.07291	2.3
135.04436	4.1
135.08058	1.4
135.11676	1.0
137.05927	0.5
144.05736	1.5
145.02849	79.7
145.06511	3.2
146.03145	1.9
146.07269	17.0
147.04466	1.0
147.08044	2.0
149.02354	1.8
149.05989	19.3
149.09618	2.0
149.13315	0.6
150.06320	0.4
158.06038	1.2
159.08075	0.7
159.11722	1.1
161.06013	0.9
162.03152	1.3
162.06769	11.0
163.03938	2.2
169.22182	0.3
177.05511	30.7
177.09105	100.0
177.16336	3.6
178.05936	0.9
178.09543	1.7
186.05501	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03948	1.0
54.03479	0.7
55.01860	1.0
55.05511	1.8
56.96573	3.1
57.03443	0.7
57.07067	0.6
58.06617	0.8
59.05000	0.9
59.06126	3.3
60.04524	0.9
60.43394	0.5
62.01593	0.6
63.02371	1.3
65.03946	1.0
65.05165	0.5
67.05503	2.1
68.05013	0.9
69.03439	0.9
69.04549	0.7
69.07067	2.1
69.24490	0.5
70.06560	0.7
70.92830	1.1
70.93169	0.9
71.05006	0.7
72.04527	0.6
78.04716	1.9
79.05492	3.6
80.05012	1.0
81.03426	1.1
81.04532	1.3
81.07047	3.4
83.06113	1.1
83.08615	1.6
85.02910	1.6
85.07671	0.7
87.05582	8.0
88.02200	0.7
89.03914	30.8
91.05482	6.8
93.07038	6.3
95.04964	2.6
95.06068	1.8
95.08611	7.8
97.07643	1.1
98.97574	5.8
98.98459	9.1
99.08066	0.7
99.09161	0.5
100.03900	0.6
102.05515	1.4
103.05471	3.0
105.07012	2.5
106.04186	2.2
107.04935	2.2
107.08591	7.6
109.02853	0.6
109.06497	0.8
109.07639	1.1
109.10167	1.3
116.98630	7.8
116.99457	0.9
117.03378	62.9
117.07042	1.5
118.03648	0.9
118.96714	0.7
119.08562	1.4
121.02877	1.7
121.04000	0.8
121.06493	4.3
121.07590	0.9
121.10131	9.0
122.07178	0.9
124.05233	1.6
129.06961	0.7
129.70326	0.5
131.04898	2.0
131.06841	2.2
131.08536	5.0
132.08078	0.8
133.10123	1.6
134.03633	8.3
134.07101	0.9
134.99663	13.7
135.04428	8.0
135.08058	1.1
135.11681	2.2
136.07690	0.7
136.08690	1.5
137.08241	0.8
137.09456	1.2
145.02840	100.0
145.54857	0.7
146.03195	3.9
147.07990	0.7
149.02327	9.0
149.05978	23.3
149.09634	0.6
149.13231	1.2
150.06584	1.5
150.10184	0.8
153.00681	3.8
158.01218	1.4
158.06029	1.2
159.04416	1.1
159.08000	2.4
159.11681	1.6
162.03122	2.1
163.03896	2.3
172.95233	0.9
177.05458	46.8
177.07466	1.4
177.07693	1.4
177.08916	5.9
177.11333	2.5
177.12704	6.4
177.16388	7.0
178.03479	0.7
178.04904	1.8
178.08618	1.3
178.10870	1.3
178.12222	0.8
186.05507	4.3
190.96312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
61.00826	0.5
63.02362	0.9
65.06713	0.4
69.07072	0.5
69.45644	4.6
74.33291	0.4
74.53193	0.4
78.04713	2.6
79.05487	0.6
81.07047	0.9
88.84840	0.4
89.03918	35.7
90.04260	0.7
91.05478	2.4
93.07046	1.7
95.08611	0.9
98.84315	0.4
98.98460	1.3
103.05470	1.6
106.04166	2.7
107.08578	1.6
117.03379	66.0
118.03728	1.5
119.04884	0.6
120.55051	0.4
121.06497	1.0
121.10131	2.2
124.05211	0.8
131.04945	0.5
131.08595	0.8
134.03648	8.2
135.04428	4.7
135.11649	0.7
145.02844	100.0
146.03200	2.5
149.02379	1.0
149.05984	22.8
150.06334	0.9
157.94542	0.5
158.06004	1.7
162.03127	1.7
163.03839	2.1
177.05467	39.3
177.12709	1.0
177.16362	1.4
178.05835	0.8
186.05525	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03944	0.8
69.07062	0.5
70.05100	2.2
70.33794	0.4
77.03962	0.4
78.04704	2.0
79.05491	1.5
81.07046	0.7
83.08569	0.5
89.03918	33.0
90.04256	0.7
91.05487	2.4
92.34679	0.5
93.07043	1.7
95.04946	1.2
95.08620	1.0
98.86555	0.5
103.05451	1.5
105.04511	0.5
105.06990	0.5
106.04174	3.1
107.08577	1.5
117.03380	63.5
118.03690	1.2
121.06490	0.8
121.10154	2.1
124.05207	1.0
131.04974	0.7
134.03639	8.9
135.04402	5.4
145.02847	100.0
146.03131	2.5
149.05983	21.6
150.06215	0.5
158.06017	1.2
162.03117	1.5
163.03909	1.6
177.05473	32.6
177.08949	0.9
177.12688	0.6
177.16406	2.1
178.05879	1.1
186.05524	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03952	0.5
54.34302	0.4
55.05507	2.7
56.96571	2.1
57.07051	0.5
63.02390	1.2
65.03955	0.6
67.05518	1.3
67.42125	0.4
68.70609	0.4
69.03434	1.8
69.07072	3.6
69.51925	3.5
73.86082	0.4
78.04714	2.0
78.97532	0.4
79.05486	4.9
81.07066	5.8
83.06757	0.4
83.08634	1.7
89.03922	38.0
90.04255	0.6
91.05488	6.5
93.07050	11.4
95.04964	2.4
95.08601	5.7
97.06521	1.0
98.20811	0.9
98.98453	3.2
103.05483	3.7
105.03385	0.6
105.07025	3.9
106.04162	4.1
107.04994	0.9
107.08593	13.5
109.06496	0.7
109.10162	1.5
109.25651	0.5
115.05479	0.6
117.03383	69.3
117.07011	1.9
118.03772	1.2
119.04966	0.6
119.08585	3.5
121.02873	0.5
121.06509	2.9
121.09305	0.5
121.10143	15.0
124.05250	1.4
125.01001	0.4
127.82843	0.4
130.06509	0.9
131.04938	1.7
131.08575	3.1
133.10149	2.0
134.03642	9.6
135.04422	6.7
135.08058	1.8
135.11685	2.1
144.09338	0.9
145.02853	100.0
146.03133	2.7
147.04399	0.6
149.02365	2.1
149.05988	27.9
149.09631	1.0
149.13239	3.8
150.06378	0.5
154.06378	0.5
154.07538	0.6
158.06039	1.2
159.08081	0.9
159.11717	3.9
162.03160	3.9
163.03938	4.1
177.05476	49.2
177.11263	0.7
177.12761	12.7
177.16399	8.9
178.06012	0.9
186.05554	4.9
190.96315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.03832	0.4
53.03939	1.0
53.49841	0.4
55.05510	1.3
56.30571	0.4
63.02367	1.0
66.20274	0.5
67.05502	1.0
69.03432	0.5
69.07077	1.9
71.55018	0.8
78.04711	2.6
79.05503	1.9
81.07062	2.4
83.05012	0.5
83.08630	0.9
87.05616	0.5
89.03921	33.7
90.04266	1.0
91.05477	5.1
93.07038	4.2
95.04955	1.7
95.08608	2.4
97.06544	0.7
98.97594	1.1
98.98470	1.6
103.05478	1.9
105.03396	0.7
105.07046	1.7
106.04174	5.1
107.04994	0.7
107.08593	6.9
109.10175	0.9
116.98579	0.9
117.03383	64.4
117.07008	1.3
118.03722	1.2
119.04968	0.7
119.08586	1.0
121.06518	2.7
121.10149	8.1
124.05215	1.3
125.18842	0.5
131.04926	1.0
131.06882	1.2
131.08583	1.2
133.10173	1.2
134.03642	8.3
134.99632	0.7
135.04456	5.3
135.08052	1.1
135.11710	1.9
145.02850	100.0
146.03175	2.2
147.04410	0.9
148.05151	0.5
149.02353	1.7
149.05988	26.1
149.09634	1.0
149.13272	1.2
150.06355	0.9
150.45479	0.5
158.06081	1.1
159.08069	0.7
159.11719	1.7
162.03191	2.2
163.03917	1.4
177.05476	38.7
177.09100	1.4
177.11357	0.7
177.12755	6.3
177.16360	5.5
178.05818	1.2
178.08603	0.5
186.05461	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03963	0.5
54.30526	0.4
59.74047	0.3
63.02386	1.0
70.65439	0.7
70.65842	0.7
78.04704	1.8
79.05492	0.5
83.29353	0.3
84.69961	0.4
89.03915	34.6
90.04238	0.5
91.05491	2.5
93.07058	1.0
95.04971	0.7
95.08585	0.6
103.05468	1.4
105.03412	0.5
105.76175	0.4
106.04188	2.4
107.08575	0.9
117.03377	64.3
118.03711	1.7
119.04900	0.4
121.06537	0.4
121.10127	1.7
124.05193	1.0
125.26068	0.4
134.03632	7.5
135.04425	4.9
145.02841	100.0
146.03218	2.0
149.05978	20.2
150.06306	0.4
157.48106	0.4
158.05995	0.6
162.03152	0.6
163.03894	1.1
177.05466	33.2
177.16310	0.9
178.05891	0.6
186.05482	3.0
197.53622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03938	1.2
55.01873	0.5
55.05503	0.8
56.96571	0.5
63.02377	1.3
65.03931	0.7
67.05502	1.2
69.07074	2.5
69.63519	3.2
77.03901	0.5
78.04727	2.9
79.05495	2.0
81.07063	2.4
81.38336	0.5
83.08600	0.9
84.75835	0.5
87.05627	0.8
89.03919	41.3
90.04256	0.7
91.05483	5.7
93.07048	3.8
95.04967	1.3
95.06087	0.7
95.08622	2.9
98.20653	0.8
98.97576	0.5
98.98468	1.7
101.09490	0.5
103.05460	3.2
105.04453	0.6
105.07039	2.3
106.04187	4.8
106.87385	0.4
107.04992	0.9
107.08600	5.9
109.10153	0.9
117.03384	69.6
117.07016	1.1
118.03722	1.1
119.04945	1.1
121.06524	2.8
121.10132	7.4
124.05212	1.2
131.04941	1.3
131.06883	1.5
131.08588	1.0
133.06450	0.5
134.03644	9.6
135.04417	6.5
135.08054	0.8
135.11725	2.3
136.08669	0.7
137.09459	0.7
145.02849	100.0
146.03180	3.2
149.02339	1.6
149.05980	26.8
149.13251	0.6
150.06339	0.5
158.06015	1.3
159.06360	0.5
159.08055	0.7
159.11699	1.1
162.03183	2.7
163.03928	3.9
177.05478	40.7
177.09109	2.0
177.11340	0.9
177.12704	3.0
177.16394	5.5
178.05905	1.0
186.05453	3.7
193.56961	0.5
199.17632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.64241	0.3
55.05531	0.4
57.59206	0.3
63.02390	0.9
69.07076	0.6
71.04694	0.7
74.84755	0.3
78.04726	1.9
79.05508	1.0
79.15188	0.3
81.07075	0.6
83.08624	0.4
89.03918	33.6
90.04252	0.9
91.05483	3.7
93.07040	1.7
95.04944	1.6
95.08628	1.0
98.98482	0.3
103.05479	2.0
105.04510	0.3
105.07021	0.5
106.04174	3.5
107.04990	0.3
107.08605	1.2
109.10187	0.5
117.03381	65.0
118.03686	1.5
119.04945	0.8
121.06507	1.2
121.10136	2.3
124.05222	0.8
127.42127	0.3
131.08565	0.5
133.10083	0.4
134.03633	8.5
135.04436	5.6
135.11696	0.9
145.02847	100.0
146.03166	2.4
149.05986	22.8
150.06355	0.5
158.06036	1.3
158.33424	0.3
159.11688	0.4
162.03127	1.3
163.03969	1.9
177.05472	36.1
177.09071	1.0
177.12714	0.6
177.16370	2.2
178.05817	1.1
181.21161	0.3
186.05530	4.0
189.09845	0.4
189.11499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03955	0.8
63.02371	1.1
67.05486	0.6
71.35694	0.6
71.36012	0.7
78.04713	2.2
79.05476	1.2
81.07068	1.2
87.05612	0.8
89.03922	35.6
90.04246	1.2
91.05499	3.3
93.07050	1.0
95.04974	0.7
95.08590	0.7
95.24670	0.5
98.97570	0.7
98.98470	1.2
103.05483	2.3
105.03368	1.2
105.07018	0.7
106.04169	3.9
107.04959	0.7
107.08613	1.5
111.01565	0.5
116.80808	0.5
116.98597	0.7
117.03383	65.0
117.07050	0.7
118.03721	1.6
119.05014	0.7
119.08654	0.5
121.02877	0.6
121.06494	2.0
121.10139	0.8
131.04919	0.9
131.06870	0.8
131.08618	0.7
134.03622	8.0
135.04425	7.3
135.06656	0.6
145.02850	100.0
146.03142	3.0
149.02306	1.7
149.05980	25.2
150.06335	1.0
158.06073	0.6
162.03110	2.5
163.03911	4.6
172.95238	1.3
177.05475	41.9
177.08878	1.4
177.12730	1.0
177.16313	0.9
178.06036	1.5
186.05486	2.8
190.96278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03939	0.7
55.01875	0.9
55.05510	1.4
57.03442	0.8
63.02397	1.4
65.03953	0.7
66.81888	0.5
67.05512	1.7
69.07072	3.2
70.44003	0.6
74.19131	0.4
78.04711	2.4
79.05491	4.0
81.03465	0.7
81.07060	5.3
83.08634	1.5
89.03919	35.7
90.04278	0.6
91.05481	9.1
93.07057	9.2
95.04929	2.7
95.08606	7.4
95.37720	0.4
98.21532	0.8
98.98468	4.3
103.05479	4.4
105.03397	0.5
105.07045	3.5
106.04189	4.9
107.04967	1.4
107.08595	10.0
109.06536	0.9
109.10168	1.7
117.03381	64.5
117.07037	1.4
118.03739	1.7
119.04930	0.9
119.08588	2.2
121.02891	1.1
121.06496	4.5
121.10151	10.7
124.05192	1.2
129.07043	0.7
131.04927	1.7
131.08582	5.5
133.10150	2.1
134.03653	10.1
135.04430	8.1
135.08069	2.5
135.11722	2.9
145.02850	100.0
146.03203	2.5
147.04448	0.7
149.02356	5.8
149.05984	30.6
149.09634	1.3
149.13272	1.5
150.06403	0.7
158.06023	2.6
159.04312	0.8
159.08102	4.1
159.11655	3.0
162.03099	3.4
163.03912	5.1
177.05475	50.9
177.08984	6.3
177.11255	1.1
177.12743	10.8
177.16402	10.3
178.05861	1.3
178.08694	0.8
186.05507	9.3
187.05852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0705
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
51.02388	0.3
53.03947	4.5
53.04160	0.3
55.05510	3.0
58.99589	0.7
59.43916	0.2
59.96739	0.3
61.01149	4.8
61.01441	0.4
62.99081	1.6
64.93011	0.2
65.00635	2.2
65.03951	0.7
67.05522	1.1
68.05022	1.3
69.03417	1.8
69.05837	0.4
69.07053	1.4
69.65145	0.5
69.65553	1.4
70.06616	0.4
71.05001	1.0
71.99084	1.7
74.35522	0.3
75.02712	0.6
77.03902	0.3
78.03451	1.6
78.04701	0.3
78.96795	0.5
79.05495	1.4
80.04987	0.4
81.03414	0.3
81.07072	1.2
82.99567	0.5
83.08626	0.3
84.00369	0.4
85.01129	8.7
85.02934	0.3
87.02693	6.4
87.03191	0.5
89.00623	0.6
89.03902	3.9
91.05476	2.9
93.07057	1.7
93.75359	0.2
95.04982	0.6
95.08603	1.9
96.04487	12.2
98.98473	1.1
99.03355	0.3
100.02207	0.4
101.02991	0.6
101.04232	2.0
103.02155	5.7
103.04885	0.3
103.05414	1.5
104.02942	0.6
105.07020	1.3
106.04237	0.5
106.07381	0.4
107.04948	0.4
107.08585	2.7
109.10161	0.5
112.02185	16.4
113.03050	0.3
114.03735	0.3
115.52571	0.3
117.03338	6.3
117.05737	0.8
118.06540	43.9
119.04915	0.3
119.06868	0.7
119.08567	0.9
120.08079	0.7
120.08915	0.8
121.06522	0.7
121.10135	2.9
122.07072	0.3
130.06522	100.0
131.04912	0.5
131.05989	0.3
131.06886	2.8
131.08542	0.8
133.05200	0.4
133.10092	0.4
134.03616	0.8
134.10477	0.6
135.04390	0.8
135.11670	0.9
145.02838	11.3
148.07529	1.0
148.09677	0.6
148.12041	0.3
149.02319	0.4
149.05994	3.1
157.42598	0.3
158.06009	33.0
159.06316	1.1
159.11694	0.5
161.04698	1.3
161.09177	0.4
176.01997	15.9
176.07034	21.4
176.11566	2.3
176.14224	0.8
176.15361	0.5
177.05479	4.7
177.07100	0.5
177.09036	0.5
177.12804	1.6
177.16406	2.3
186.05450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21676	0.3
53.89392	0.4
54.98650	0.4
55.05531	0.6
56.05058	0.7
56.96567	10.8
57.03450	0.6
57.07083	0.5
57.93573	0.6
58.06635	0.5
58.92841	0.4
58.99892	0.7
59.06137	2.1
60.04539	0.7
67.05527	0.8
69.07111	0.9
70.81012	0.3
70.90733	0.6
70.91046	0.5
71.05035	0.5
71.95281	1.5
72.04530	0.4
75.05618	1.0
77.00907	0.5
77.19028	0.4
79.05492	0.5
81.03424	0.7
81.07056	0.5
82.01464	0.4
83.06118	0.6
85.07655	0.7
86.08459	0.4
87.05598	1.3
91.05493	0.7
93.07011	0.5
95.01990	0.5
98.00905	0.7
98.97587	39.1
100.02491	4.3
100.03986	0.4
101.00898	1.8
101.07158	0.6
102.00913	0.4
103.02458	0.7
104.02552	1.2
105.07036	1.0
106.06631	0.4
109.02892	0.7
113.00897	0.9
113.01643	0.4
116.00198	0.4
116.01944	8.9
116.97237	3.6
116.98622	60.6
117.53451	0.4
118.03519	13.7
119.01926	26.9
119.03664	0.8
119.08585	0.9
120.02016	4.4
120.08082	0.5
120.48756	0.4
121.01635	2.4
121.03436	0.5
122.03631	0.6
123.03205	0.7
123.04002	0.6
127.03920	0.5
129.49365	0.4
130.01712	0.4
130.03510	1.7
130.06523	1.0
131.01903	12.1
131.99582	1.2
132.05057	0.6
133.03479	0.9
134.02982	85.3
134.99661	100.0
136.02487	0.5
136.04546	5.1
137.02966	16.0
137.03969	0.6
137.04669	0.7
138.03061	1.8
138.04211	0.5
138.49867	1.6
139.02699	1.7
139.03636	0.5
140.00163	2.7
141.05077	0.9
142.03516	3.0
143.56845	0.5
144.03246	0.8
145.02699	0.4
145.06793	1.2
145.10027	0.5
146.03589	1.3
147.03102	0.5
148.04553	0.7
148.07547	0.5
148.96109	0.6
149.01048	0.5
149.02994	3.5
149.05818	0.5
150.00694	2.6
150.06068	0.6
150.50790	0.5
151.04530	0.7
152.02148	0.9
152.04007	19.8
152.05946	0.8
152.19710	0.4
152.96959	2.0
153.00714	29.1
153.04129	1.3
153.05176	0.6
153.06259	0.4
154.03488	5.9
154.07304	1.2
157.03374	0.7
157.04576	4.7
158.01219	11.6
158.02966	9.7
158.04770	0.9
159.07835	0.4
160.04538	1.6
161.04678	0.9
164.04710	1.1
170.03203	0.5
171.01405	6.5
171.04939	1.5
171.06203	0.9
172.04530	1.5
175.05690	0.4
175.98709	1.9
176.02286	5.8
176.04065	29.9
176.05865	1.3
176.06906	3.3
176.11714	0.5
176.14227	0.6
177.00853	2.4
177.04164	2.6
178.05571	0.5
181.02655	0.6
185.02864	0.9
189.02440	2.2
189.05478	0.4
194.03136	1.8
194.05052	9.0
194.06786	0.9
195.01744	0.5
199.03996	0.6
199.05611	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	176.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03708	3.3
53.03944	32.9
55.05506	13.8
56.90382	2.2
56.96553	3.6
58.99577	2.8
59.50091	2.2
61.01149	21.2
62.99071	10.5
63.01101	2.1
65.00647	12.9
65.03939	3.9
67.05493	6.4
68.05016	8.0
69.03419	10.7
69.07059	10.1
69.29735	16.3
69.30167	10.1
70.06583	4.5
70.07426	3.3
71.04983	9.4
71.99099	9.8
75.02674	3.6
78.03452	7.4
78.04701	3.3
79.05485	5.5
80.05016	3.1
81.07040	3.6
82.07368	2.6
85.00652	3.3
85.01138	52.2
87.02692	37.1
89.03903	31.3
91.05466	12.3
92.05830	3.4
93.07027	5.5
95.05005	3.3
95.08586	4.6
96.04498	66.2
98.98453	11.6
100.02238	3.4
100.03436	2.5
101.02980	3.4
101.04241	12.8
102.04650	3.2
103.02168	35.4
103.05463	5.5
105.07033	11.3
105.32866	2.3
106.04184	6.3
106.07392	10.2
107.04907	5.6
107.08595	6.4
112.02194	100.0
116.97243	2.8
116.98643	3.3
117.03349	50.3
118.06553	5.2
118.08662	4.9
119.08563	15.3
120.08120	4.5
120.08907	29.9
121.06506	4.8
130.06514	35.3
130.07381	3.9
130.08688	3.6
131.04913	3.6
131.08585	3.8
132.08940	3.2
133.05260	3.4
133.10110	7.9
134.03622	8.7
134.05991	2.5
134.10458	25.5
134.99625	3.0
135.04411	7.3
135.06644	3.0
135.11652	3.7
139.98445	2.9
145.02843	84.9
147.04349	2.6
148.07515	5.6
148.11995	6.1
149.02359	5.8
149.05977	27.4
149.09708	2.4
158.05937	12.2
158.10449	3.7
159.08035	3.0
161.04715	7.8
161.05942	2.8
162.03061	2.3
163.03831	2.7
176.02002	87.5
176.03210	3.4
176.06998	54.9
176.11823	11.1
176.15273	41.5
177.05472	40.8
177.09126	4.4
177.12749	5.7
177.16438	3.7
186.05481	5.8
198.00963	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03952	1.1
54.77776	0.7
55.05512	6.4
56.36152	0.6
57.03456	0.7
57.07072	1.9
65.03952	0.7
67.05508	3.7
69.03442	0.8
69.07069	19.0
69.79883	4.0
70.06625	0.6
75.82557	0.6
79.05494	3.3
81.07054	13.8
83.04958	0.7
83.08630	3.7
85.02898	1.1
91.05483	11.1
93.07048	4.8
95.04971	1.1
95.08051	0.9
95.08607	10.4
97.02897	1.3
98.03223	0.9
98.21465	0.7
98.98469	4.1
105.07033	30.8
106.66463	0.5
107.08603	7.2
109.06544	0.6
109.10214	0.6
115.05473	0.9
117.07011	3.5
119.08584	79.8
120.08933	1.9
121.06509	0.6
121.10169	3.3
129.07002	2.4
130.06532	1.3
131.08572	4.5
132.09406	0.9
133.10132	78.2
134.10483	1.7
145.06519	1.1
145.10139	5.4
146.10921	1.7
147.08061	1.0
147.10526	0.7
147.11676	11.9
157.10136	1.6
160.05280	1.1
160.08806	1.4
160.12468	3.0
173.13275	2.3
175.07623	4.1
175.11293	8.0
175.14827	100.0
176.07057	0.8
176.15155	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03960	1.0
54.38628	0.4
55.01867	0.6
55.05509	5.8
56.96573	0.6
57.07069	0.8
58.48232	0.4
67.05503	2.0
69.03432	0.8
69.07069	18.4
69.69695	2.4
69.70114	0.8
70.06610	0.9
79.05495	2.2
81.07056	5.3
83.04978	0.9
83.08620	3.2
85.02898	0.7
86.84463	0.4
91.05482	8.4
93.07045	3.4
95.04955	0.8
95.08604	4.2
95.81693	0.4
97.02888	0.7
98.98465	5.4
103.05482	0.8
105.07034	21.4
106.07352	0.6
107.08597	4.6
109.06525	0.5
115.05450	1.2
117.07024	3.6
119.08582	71.4
120.08904	0.9
121.06478	1.4
121.10123	2.6
128.06224	0.5
129.07005	1.7
130.03297	0.5
130.06522	4.2
131.08566	3.4
133.06493	1.2
133.10132	57.2
134.10500	1.4
135.11697	1.2
142.07779	0.7
145.06526	0.8
145.10109	5.4
146.07281	0.4
146.10870	1.1
147.04419	0.9
147.08083	2.3
147.11694	9.7
148.08601	0.5
157.10120	1.7
158.06104	0.8
159.11603	0.5
160.05214	0.6
160.08859	1.3
160.12514	2.6
173.13268	1.9
175.03873	1.2
175.07571	3.1
175.11235	14.1
175.14824	100.0
176.07092	2.0
176.15239	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.05510	6.5
56.96551	0.9
57.03441	0.6
57.07076	0.7
63.82754	0.6
67.05507	1.9
69.07069	19.8
70.98693	1.1
72.15187	0.5
79.05499	2.2
81.07056	5.5
83.04990	1.1
83.08626	3.1
85.02903	1.4
91.05476	8.5
93.07043	3.9
95.04946	0.7
95.08615	6.5
97.02900	1.5
98.88098	0.6
98.98460	8.3
103.05460	1.0
105.07031	22.8
107.08582	4.8
115.05440	1.0
117.07040	3.3
119.08583	76.3
120.08929	2.2
121.10133	2.1
129.07059	1.5
130.06548	4.7
131.08589	3.3
133.06505	1.2
133.10132	61.8
134.10503	1.8
135.11674	1.0
137.60538	0.6
141.50826	0.6
142.07774	1.2
145.10123	5.4
147.04445	0.8
147.08022	0.9
147.10645	1.0
147.11691	10.6
157.10139	1.5
158.06078	1.2
160.05240	1.0
160.08833	0.7
160.12451	3.0
173.13264	2.1
175.03915	1.1
175.07521	3.4
175.11378	6.0
175.14827	100.0
176.07057	2.4
176.15231	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
54.77776	0.7
55.05512	6.4
56.36152	0.6
57.03456	0.7
57.07072	1.9
65.03952	0.7
67.05508	3.7
69.03442	0.8
69.07069	19.0
69.79883	4.0
70.06625	0.6
75.82557	0.6
79.05494	3.3
81.07054	13.8
83.04958	0.7
83.08630	3.7
85.02898	1.1
91.05483	11.1
93.07048	4.8
95.04971	1.1
95.08051	0.9
95.08607	10.4
97.02897	1.3
98.03223	0.9
98.21465	0.7
98.98469	4.1
105.07033	30.8
106.66463	0.5
107.08603	7.2
109.06544	0.6
109.10214	0.6
115.05473	0.9
117.07011	3.5
119.08584	79.8
120.08933	1.9
121.06509	0.6
121.10169	3.3
129.07002	2.4
130.06532	1.3
131.08572	4.5
132.09406	0.9
133.10132	78.2
134.10483	1.7
145.06519	1.1
145.10139	5.4
146.10921	1.7
147.08061	1.0
147.10526	0.7
147.11676	11.9
157.10136	1.6
160.05280	1.1
160.08806	1.4
160.12468	3.0
173.13275	2.3
175.07623	4.1
175.11293	8.0
175.14827	100.0
176.07057	0.8
176.15155	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.72354	0.5
55.05510	6.3
67.05503	0.7
69.07069	18.2
70.06580	0.5
71.04438	1.4
79.05493	1.7
81.07056	3.9
83.08627	4.2
91.05480	6.9
93.07063	2.6
95.08597	3.8
97.02870	0.6
98.98475	2.6
103.05483	0.9
105.07030	20.9
107.08598	4.0
115.05466	1.0
117.07011	2.2
119.08580	73.8
120.08904	1.7
121.10149	2.2
131.08557	2.7
132.09373	0.6
133.10129	58.7
134.10486	1.3
135.11726	1.2
135.43597	0.6
145.10141	5.1
147.08058	0.8
147.11694	7.9
160.05180	1.3
160.12454	2.6
173.13252	1.8
175.07600	2.4
175.14825	100.0
176.07111	1.3
176.15254	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.37059	0.6
55.05505	2.3
57.07077	0.7
60.05641	0.6
61.74153	0.5
65.03951	0.5
67.05499	1.6
69.03420	0.8
69.07065	3.6
69.92130	2.7
70.06587	0.8
79.05508	1.7
81.07045	7.3
83.08622	0.9
85.02905	0.8
88.02232	0.5
91.05477	10.9
93.07034	3.8
95.04966	0.8
95.08618	5.7
97.02885	0.8
98.98464	8.3
105.07028	27.1
106.07392	0.8
107.04953	1.1
107.08599	5.1
109.10173	0.7
115.05450	0.7
117.07023	3.8
119.08578	41.9
121.06523	0.5
121.10119	0.7
129.07013	2.1
131.08553	4.2
132.09341	1.1
133.10124	100.0
134.10449	3.4
139.32318	0.5
142.07736	0.7
145.10114	2.1
146.10918	0.7
147.08052	0.8
147.11670	10.9
148.12048	0.7
157.04166	0.6
157.10097	2.2
160.08847	1.1
160.12448	1.1
161.04712	0.6
175.07590	2.3
175.11221	7.7
175.14812	56.0
176.07077	3.4
176.15128	1.8
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
50.17943	0.5
52.16457	0.6
53.03951	0.5
55.05513	6.1
61.68994	0.6
65.03934	0.5
67.05500	2.6
69.03426	2.3
69.07071	9.8
70.68035	0.5
71.04948	0.6
79.05499	5.5
81.07057	12.1
83.04974	0.9
83.08616	2.2
85.02914	1.7
91.05485	14.3
93.07046	7.6
95.04991	1.0
95.08601	6.1
97.02910	1.0
98.20797	1.6
98.98468	14.3
103.05460	1.8
105.07033	41.0
106.07340	0.9
107.04902	0.8
107.08590	6.7
109.10164	0.8
115.03986	0.7
115.05440	0.8
116.99532	1.0
117.07031	3.6
118.07763	0.6
119.08582	100.0
120.08907	2.2
121.06502	2.4
121.10136	1.6
129.07011	2.5
131.08557	6.7
132.09268	0.7
133.06473	2.8
133.10130	68.4
134.10489	1.2
142.07777	3.3
145.06482	2.6
145.10130	3.9
146.07266	2.0
146.10881	1.3
147.08046	5.4
147.11696	18.1
157.04269	1.2
157.06413	1.2
157.10114	4.8
160.08829	9.0
160.12453	2.0
169.31906	0.6
173.13289	1.6
175.03925	1.3
175.07614	4.8
175.11203	42.0
175.14832	78.1
176.07085	3.6
176.11604	1.3
176.15193	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.42366	0.8
53.03913	0.8
55.05515	5.3
56.96553	0.9
57.07082	1.1
65.03934	1.1
65.94795	1.0
67.05493	3.3
69.03431	1.6
69.07071	12.1
70.06586	1.7
70.86873	2.5
73.48853	0.8
79.05480	3.6
81.07055	14.0
83.08608	2.1
85.02893	3.8
91.05473	18.6
93.07057	6.6
95.04993	1.7
95.08609	8.1
97.02887	2.3
97.03501	1.0
98.98467	33.7
98.99129	1.7
103.05479	1.5
105.07033	42.8
106.07379	0.9
107.04937	1.8
107.08599	9.2
111.04388	1.0
115.03864	1.0
115.05429	1.2
116.57352	0.9
116.99475	2.1
117.06987	4.3
119.04879	1.2
119.08582	100.0
120.08914	2.7
121.06483	1.2
121.10155	2.7
125.24225	0.9
128.06215	1.4
128.68097	0.8
129.07028	6.0
131.08557	5.7
132.09418	1.0
133.06474	3.4
133.10135	66.7
134.10504	1.5
142.07765	3.5
145.06424	1.0
145.10100	3.6
147.04391	1.6
147.08055	3.5
147.11687	18.6
151.93980	1.1
157.04208	1.4
157.06444	4.4
157.10129	4.0
160.08836	2.2
160.12482	2.2
161.04823	1.4
173.13286	1.1
175.03909	1.9
175.07492	11.2
175.11205	17.4
175.14827	79.6
175.37486	1.0
176.07072	8.9
176.15295	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03949	0.9
55.05508	7.6
57.07063	1.4
58.07384	0.5
60.05631	0.6
65.03937	0.6
67.05508	3.1
69.03416	0.8
69.07065	16.8
70.06577	1.1
71.06506	0.4
71.59293	0.7
71.59688	0.5
77.66401	0.4
79.05498	3.9
81.03403	0.7
81.07055	16.2
82.11838	0.5
83.04978	0.5
83.08617	3.3
85.02880	0.7
86.06104	0.5
91.05473	14.7
93.07037	6.2
95.04984	0.8
95.08604	11.8
97.02900	1.0
98.98462	8.4
103.05471	1.0
104.06251	0.7
105.07027	35.5
106.07388	0.6
107.08591	7.9
109.10136	0.6
111.04429	0.8
115.05445	2.3
116.06213	0.8
116.07055	0.5
117.07026	4.2
119.08576	85.5
120.08941	1.8
120.37662	0.5
121.06495	0.8
121.10133	2.3
128.06209	0.5
129.06992	2.7
130.06525	3.9
131.08568	6.5
132.04384	0.5
132.05725	0.8
132.09331	1.0
133.06499	1.3
133.10126	83.7
134.05998	0.4
134.10478	1.8
142.07739	1.4
145.06488	0.6
145.10086	5.8
146.10944	1.1
147.04401	1.8
147.08022	2.9
147.11687	12.2
157.06485	0.6
157.10120	2.6
158.05998	0.9
159.11552	0.6
160.05244	2.2
160.12476	3.2
173.13249	2.1
175.03958	3.4
175.07538	7.9
175.11229	16.6
175.14815	100.0
175.18852	6.0
176.06981	2.9
176.11697	0.6
176.15182	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03933	0.9
55.05511	6.2
56.96556	1.1
57.02288	0.5
57.07069	1.3
57.66895	0.6
67.05516	2.7
69.03431	0.9
69.07067	17.6
70.06590	1.6
70.22160	0.5
71.18953	1.1
77.03897	0.6
79.05495	2.2
80.09424	0.6
81.07044	6.7
83.04994	0.6
83.08615	3.6
85.02896	1.4
91.04955	1.0
91.05478	10.7
92.05798	0.6
93.07047	3.9
95.08617	5.6
97.02895	1.5
98.97854	0.8
98.98464	9.9
104.64806	0.7
105.07027	25.0
106.07374	0.6
107.04967	0.9
107.08590	4.8
113.75047	0.6
115.05472	1.7
117.07033	3.7
119.04914	1.4
119.08578	78.7
120.08893	1.1
121.10149	2.2
126.44747	0.5
129.07007	2.5
130.06528	2.7
131.08591	4.7
132.05688	0.9
133.06473	1.6
133.10126	61.3
134.10484	0.9
140.01021	0.7
142.07750	1.9
145.06415	0.8
145.10133	5.6
146.05994	1.5
146.07233	0.6
146.10899	1.3
147.04416	2.0
147.08051	3.1
147.11685	10.4
157.10120	2.9
158.05968	1.1
159.11763	0.5
160.05205	2.5
160.08818	1.7
160.12408	2.8
167.24936	0.6
173.13216	1.4
175.03966	4.0
175.06027	1.4
175.07538	10.9
175.11221	12.7
175.14818	100.0
176.06993	3.1
176.11610	0.6
176.15172	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03944	0.6
55.05268	0.5
55.05512	4.6
56.62028	0.3
57.07061	0.4
64.42659	0.4
65.03916	0.4
67.05519	2.0
69.03415	0.6
69.07069	8.0
78.53910	0.3
79.05501	3.4
81.07059	9.4
83.08615	1.4
84.90588	0.4
91.05477	8.9
93.07049	4.3
95.04975	0.6
95.08594	3.9
98.98470	2.3
102.00332	0.4
103.05451	0.8
104.06280	0.4
105.07033	32.2
106.07331	0.8
107.08597	5.1
115.05447	0.6
116.06281	0.5
117.07040	2.7
119.08584	100.0
120.08860	2.5
121.06526	1.5
121.10207	1.4
129.07040	1.1
131.08586	5.3
133.06528	1.2
133.10133	75.3
134.10490	1.8
135.11653	0.6
142.07716	1.9
143.39668	0.4
145.06508	1.6
145.10144	4.3
146.07259	1.0
146.10883	1.0
147.08014	1.9
147.11690	16.9
148.12053	0.8
157.10159	2.7
159.08144	0.4
159.11699	0.9
160.08850	5.7
160.12531	2.0
173.13319	1.7
175.11226	22.6
175.14835	77.8
176.07135	0.9
176.11557	0.6
176.15164	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
52.32253	0.7
55.01880	1.2
55.05293	0.8
55.05512	7.5
56.96549	1.0
57.03425	1.1
57.69768	0.7
59.35178	0.6
60.04501	0.7
61.02924	1.2
65.03932	1.1
67.05502	4.4
69.03417	3.0
69.06715	1.0
69.07073	14.5
70.06573	1.6
71.12821	1.6
79.05483	4.7
81.07060	17.9
83.04971	0.8
83.08616	3.4
85.02914	3.8
87.04472	1.5
91.05484	23.9
92.05791	0.6
93.07054	7.8
95.04967	1.4
95.08613	12.1
96.35362	0.7
97.02908	3.1
98.98473	30.6
103.05450	2.1
103.14001	0.6
105.07036	45.1
106.07387	1.7
107.04958	1.1
107.08597	8.9
109.10194	0.9
111.04435	1.4
114.05524	1.0
115.03913	1.3
115.05453	1.9
116.99487	1.5
117.07008	5.0
119.04928	2.1
119.08584	88.3
120.08910	1.3
121.06556	1.5
121.10143	2.0
128.06232	1.3
129.05507	0.9
129.06999	6.4
130.06535	5.6
131.08565	8.6
132.05704	1.1
132.09320	1.0
132.95802	0.7
133.06538	3.2
133.10135	78.1
134.07132	1.1
134.10468	1.6
135.08006	0.9
142.07777	4.5
145.06499	2.5
145.10152	5.3
146.07239	1.9
146.10901	1.7
147.04398	2.2
147.08022	5.0
147.11691	16.6
148.08612	0.9
148.12119	0.9
157.06447	0.9
157.10138	5.6
158.05995	1.2
159.11591	1.2
160.05200	2.9
160.08839	2.7
160.12486	2.6
175.03879	3.4
175.06020	1.6
175.07524	10.9
175.11206	29.3
175.14828	100.0
176.03336	0.7
176.07030	6.2
176.15157	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.04875	0.5
55.05506	1.6
57.07058	0.5
59.78515	0.4
67.05502	1.1
68.69249	0.4
69.03439	0.5
69.07069	3.1
70.64908	1.4
79.05481	2.3
81.07058	3.9
83.08641	0.7
83.67189	0.4
85.02909	0.7
91.04912	0.7
91.05478	9.6
93.07043	3.0
95.04967	0.9
95.08585	2.5
98.98467	5.4
103.05486	0.8
104.06255	0.6
105.07034	40.3
106.07390	1.1
107.08608	1.6
115.05450	0.5
117.07050	2.2
119.08585	100.0
120.08925	3.0
121.10139	0.6
129.07045	0.7
131.04930	0.5
131.08557	3.6
133.06520	0.7
133.10136	44.0
134.10429	0.5
142.07848	0.9
145.10146	1.2
147.08028	0.8
147.11699	8.0
157.04343	0.8
157.10086	2.2
160.08847	0.7
160.12531	0.7
169.17773	0.5
175.07571	1.8
175.11212	7.4
175.14835	38.5
176.07036	1.1
176.15190	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.05500	3.5
57.21270	0.9
57.38240	0.9
57.42842	0.8
62.24551	0.8
64.02104	0.8
64.43277	1.0
66.93581	0.9
67.05482	1.3
69.03433	1.1
69.06774	0.9
69.07075	9.7
71.59560	1.3
73.83334	0.8
79.03053	0.8
79.05471	3.0
81.07065	9.2
83.08610	1.6
85.02903	1.9
88.02238	0.9
91.05489	9.6
92.90089	2.7
93.07042	5.2
95.04957	0.8
95.08582	2.9
98.98473	12.3
103.05495	1.0
105.07038	32.5
107.08585	4.9
110.64728	0.8
117.07018	2.0
117.32914	0.9
119.08588	100.0
120.08917	2.4
121.06487	1.6
121.10160	1.0
125.68245	0.9
129.07048	1.3
131.08585	5.3
133.06520	1.7
133.10139	69.0
133.64040	1.0
134.10555	1.3
142.07774	2.2
145.06480	2.1
145.10147	4.3
146.10893	1.3
147.08060	2.2
147.11690	17.5
151.93730	2.9
157.04260	1.2
157.10170	4.0
157.17705	0.9
159.93498	0.9
160.08836	5.8
160.12462	2.4
173.13171	1.0
175.07654	2.5
175.11226	26.3
175.14841	79.0
176.07054	4.0
176.15269	1.6
187.18617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05647	41.4
70.06590	100.0
70.59121	0.5
70.59510	0.7
71.04985	1.7
71.06925	0.8
72.08154	4.5
73.08517	0.3
76.93320	0.2
84.08135	3.9
88.07600	0.6
97.07647	0.4
98.06033	0.6
98.67036	0.3
112.08725	5.1
113.07133	0.6
114.10291	1.1
115.08674	0.9
116.07090	33.5
117.07407	0.5
130.08681	1.5
130.09750	14.6
141.06531	0.4
157.10860	1.4
158.09248	9.1
174.89566	0.5
175.11900	36.7
175.14404	1.1
176.12198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
56.05055	0.4
56.96568	4.1
60.05648	45.2
61.55856	0.5
69.03430	1.2
69.87444	2.1
69.87862	0.8
70.06592	100.0
71.04988	1.5
71.06922	0.5
72.08161	6.0
74.02446	0.9
74.06094	0.6
84.08148	2.4
85.02917	1.2
95.99863	0.5
96.28024	0.4
97.02888	1.0
97.16689	0.4
98.06063	0.9
98.21384	0.9
98.62909	0.5
98.97585	7.2
98.98254	0.6
98.98478	0.8
101.00897	0.5
103.02420	0.7
104.07108	4.6
112.07603	1.6
112.08739	4.7
112.11244	1.6
114.10300	1.3
115.08700	1.2
116.07092	39.3
116.98622	5.6
119.01931	4.1
121.03506	0.5
129.10243	0.6
130.09763	16.7
133.03465	1.9
134.99658	4.5
137.02959	2.1
140.02290	0.5
145.03445	0.8
149.02876	0.5
151.04665	0.5
151.19815	0.5
152.96962	0.5
153.00743	1.2
157.10883	2.6
158.06084	0.6
158.08015	1.1
158.09254	11.8
158.11826	0.8
161.02963	0.9
163.04503	0.5
168.91354	0.5
174.99168	0.5
175.04510	3.4
175.11909	48.2
176.12253	0.8
189.03554	1.2
193.00249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	Dihydropalutropone
Peak:m/z	Relative Intensity
53.03955	0.3
55.01853	0.3
55.05496	0.9
56.96564	0.4
60.50038	0.2
67.05495	0.6
69.03419	0.5
69.07061	1.0
69.88267	0.7
69.88684	0.8
70.06606	0.3
71.34017	0.2
73.02917	0.4
74.94172	0.2
79.05486	1.1
81.07064	3.5
83.04971	0.4
85.02927	1.1
87.04446	0.3
88.22135	0.2
91.05483	3.1
93.07049	0.9
95.04973	0.5
95.08599	0.7
97.02905	0.6
98.21524	0.2
98.97603	0.6
98.98470	4.5
103.05479	0.4
105.07036	7.7
107.04957	6.8
107.08597	0.7
115.05433	0.5
116.98627	0.5
117.07027	0.5
119.08585	6.5
121.06503	0.9
128.06212	0.3
129.07010	1.5
131.04947	0.3
131.08560	0.8
132.05696	0.4
133.06497	21.5
133.10136	4.3
134.06810	0.5
142.07797	1.1
145.06480	2.1
145.10080	0.4
146.07297	1.5
147.08064	2.3
147.11679	1.2
157.10104	1.0
159.08073	1.1
160.05225	0.8
160.08827	3.5
160.12442	0.3
163.02573	0.6
175.07948	2.8
175.11189	100.0
175.14600	5.4
176.07033	0.3
176.11580	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
54.16518	0.3
55.05509	0.4
56.96556	1.9
57.03437	1.4
58.06586	0.4
59.87820	0.4
60.05655	41.7
60.08203	0.5
61.02937	0.5
63.69144	0.4
67.33519	0.4
68.05041	0.6
69.03440	1.0
70.06598	100.0
70.73430	0.9
70.73800	0.8
71.04990	2.6
71.06931	1.2
72.08158	6.7
73.02930	1.0
84.08159	1.3
85.02915	1.2
85.06576	0.5
87.04467	0.5
88.07638	0.7
91.72132	0.4
97.02924	1.2
97.07635	0.6
98.06086	1.0
98.97602	1.3
98.98478	1.3
101.00886	1.0
102.09298	0.4
103.02468	1.6
111.02940	0.6
112.07619	3.8
112.08740	4.7
113.07176	0.4
114.09166	0.5
114.10278	0.7
115.02342	0.4
115.08718	1.5
116.07104	33.3
116.98653	1.4
117.05537	0.6
118.08654	2.2
119.01932	8.0
120.03470	0.4
121.01666	0.5
121.03510	1.3
129.10248	0.7
130.08698	1.1
130.09766	16.3
132.02109	1.7
133.03490	3.9
133.10179	0.4
134.99660	0.7
136.46622	0.4
137.02936	3.5
138.03104	0.6
143.01869	0.5
145.03474	1.9
151.04515	2.3
155.48438	0.4
157.10867	1.5
158.09259	10.1
161.02989	1.2
163.02780	0.5
163.04507	1.1
175.04558	8.9
175.06073	0.5
175.11934	38.5
176.10420	0.7
176.12709	0.6
179.04024	0.7
193.00200	0.6
193.05638	0.5
194.09155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01885	0.7
55.05510	2.3
58.45808	0.4
67.05507	3.3
69.03413	1.6
69.07072	4.5
70.06590	0.8
70.63603	1.8
79.05491	1.8
81.07063	5.4
83.04974	0.6
83.08622	0.6
85.02890	1.5
91.05486	8.4
93.07033	2.6
95.04975	0.7
95.08620	2.6
97.02910	1.2
98.21491	0.6
98.97854	1.0
98.98473	14.8
105.07035	26.3
107.04955	0.7
107.08614	3.4
115.03935	0.8
115.05495	1.0
116.06287	0.6
116.99526	0.8
117.06997	1.9
119.04954	0.5
119.08587	37.7
120.08952	0.8
121.06512	12.6
127.03925	0.7
128.06223	0.7
129.07019	1.9
131.04929	1.1
131.08578	3.2
132.05696	0.9
132.09329	0.6
133.06497	7.2
133.10136	26.1
135.08022	1.7
140.01064	0.7
142.07773	4.5
145.06497	7.1
145.10106	2.8
146.07280	7.9
147.08063	14.4
147.11696	15.7
151.93896	0.5
154.81024	0.4
157.04257	0.6
157.06618	0.5
157.10121	4.5
159.08078	1.0
160.08839	25.6
173.09674	1.0
175.07855	4.1
175.11192	100.0
175.14801	28.6
176.07051	1.8
176.11592	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01850	0.4
55.05503	1.9
56.96560	0.8
58.87346	0.4
60.05636	0.5
65.03939	0.4
67.05485	1.5
69.03418	0.9
69.07064	2.7
69.89429	1.9
70.06580	1.5
79.05482	0.8
81.03397	0.4
81.07058	2.6
83.04955	0.4
83.08605	0.7
85.02902	0.6
91.05489	5.0
93.07016	1.5
95.04928	0.4
95.08628	1.8
95.09090	0.3
97.02859	0.7
98.98466	4.7
103.05457	0.5
105.07031	14.9
107.04936	1.1
107.08597	2.0
109.06442	0.5
109.10101	0.3
115.05436	1.5
117.07013	1.6
118.06595	0.4
119.04937	0.5
119.06863	3.1
119.08578	18.3
121.06499	9.2
121.07360	0.4
121.10152	0.5
127.03853	0.5
129.07001	2.0
130.06523	7.6
131.04935	1.0
131.08565	1.5
132.05695	0.5
133.06506	6.3
133.10126	13.3
135.08006	1.5
141.07077	0.6
142.07776	4.5
145.06487	4.3
145.10097	2.0
146.07266	6.7
147.04419	1.7
147.08046	10.9
147.11678	7.4
150.12263	0.4
151.20715	0.4
155.08583	0.4
157.10097	3.7
158.06004	0.9
158.09280	0.4
159.08032	0.9
160.05196	1.5
160.08839	14.2
161.15633	0.3
173.09720	0.8
173.69286	0.4
175.07724	4.8
175.11182	100.0
175.14771	18.4
176.06940	2.1
176.11533	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	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.02377	0.4
51.55788	0.3
52.99051	0.3
53.03946	0.5
55.01877	2.4
55.05502	1.8
57.03440	0.3
63.02351	0.3
65.03943	0.7
65.43203	0.3
67.05499	2.1
69.03420	1.3
69.07071	1.6
69.52978	2.6
70.06583	1.2
73.62879	0.3
78.04724	0.4
78.23949	0.3
79.05481	1.9
81.03416	0.6
81.07042	1.1
83.04989	0.6
83.08604	0.6
85.02903	0.7
86.56593	0.3
87.04474	0.4
91.05479	14.6
92.05837	0.4
93.07022	1.9
95.04981	0.6
95.08604	1.2
97.02871	0.8
98.98456	4.6
98.99042	0.4
99.10663	0.3
103.05463	1.4
104.06254	2.8
105.03399	0.4
105.07027	17.0
106.07348	0.4
107.04964	3.4
107.08595	1.8
111.04333	0.3
115.03983	0.5
115.05448	6.9
115.21313	0.3
116.07049	0.5
117.07025	6.3
118.06597	0.6
119.04975	0.8
119.06849	1.8
119.08578	28.0
120.08910	0.4
120.97253	0.3
121.06503	12.8
126.40540	0.3
128.06219	4.5
129.07001	5.7
130.06538	1.3
131.04895	2.7
131.08554	1.7
132.05711	13.2
132.09399	0.4
133.06502	7.6
133.10127	7.6
134.07062	0.3
135.08055	2.0
141.07016	0.4
142.07767	4.1
143.04958	1.0
145.06485	7.9
145.10107	1.5
146.07269	10.1
147.04384	0.7
147.08046	25.6
147.11687	7.4
147.12794	0.6
148.08461	0.9
155.06006	0.4
155.08565	0.5
157.07629	0.5
157.10129	4.2
158.05995	0.4
158.07262	0.5
159.08070	1.2
160.05203	9.8
160.08830	20.0
161.09171	0.5
173.09651	1.7
175.03998	1.3
175.07571	26.5
175.11176	100.0
175.14719	9.7
176.06931	0.4
176.08066	0.5
176.11559	3.1
176.14383	0.9
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	Dihydropalutropone
Peak:m/z	Relative Intensity
55.01853	0.4
55.05506	0.5
65.03932	0.3
67.05501	2.1
69.03410	0.6
69.07047	0.6
69.99059	1.5
70.06558	0.6
79.05475	0.9
81.07057	1.9
85.02902	0.5
86.02568	0.3
91.05475	3.8
93.07026	1.4
95.08608	0.6
97.02877	0.5
98.20753	0.4
98.98465	4.0
105.07030	11.8
107.04934	0.6
107.08575	1.0
112.85845	0.3
115.05460	1.1
117.07024	1.0
119.04936	0.4
119.08578	9.4
121.06500	10.0
128.06227	0.4
129.07001	1.4
130.06538	2.4
131.04858	0.7
131.08560	1.2
132.05699	0.3
133.06491	6.0
133.10100	3.4
135.08022	1.0
142.07759	2.9
145.06480	5.6
145.10117	1.3
146.06186	0.3
146.07249	8.7
147.08043	11.8
147.11687	5.5
156.76166	0.3
157.10109	2.7
158.06032	0.9
158.07259	0.6
159.08066	1.0
160.08832	17.2
173.09596	1.2
175.08009	1.9
175.11176	100.0
175.14618	5.5
176.07069	1.3
176.11540	2.4
184.76321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	Dihydropalutropone
Peak:m/z	Relative Intensity
50.55252	0.3
51.25508	0.3
54.17200	0.3
55.01874	0.5
55.05507	1.8
56.96561	1.8
57.03418	0.3
57.20334	0.3
61.84788	0.3
63.24417	0.3
64.55875	0.3
65.03934	0.4
66.41925	0.3
67.05502	2.8
69.03416	1.0
69.07051	1.1
70.06577	1.0
70.13230	1.5
79.05474	1.5
81.07045	1.9
83.04981	0.5
83.08603	0.4
85.02874	0.7
87.04424	0.4
91.05473	6.0
92.40461	0.3
93.07039	1.9
95.04963	0.6
95.08613	0.9
97.02876	1.0
98.97845	0.6
98.98459	6.6
103.05452	0.6
105.07024	18.0
107.04924	0.9
107.08578	1.4
108.75397	0.4
109.10139	0.5
115.03896	0.3
115.05451	1.3
117.07043	1.5
119.04905	0.8
119.07694	0.4
119.08574	17.3
121.06496	20.7
127.52686	0.5
128.06166	0.6
129.06998	2.3
130.06526	0.3
131.02525	0.9
131.04889	1.8
131.08572	2.4
131.47350	0.3
132.05661	0.6
133.06488	8.5
133.10112	7.0
135.03838	0.5
135.08037	1.9
136.58049	0.4
140.01337	0.4
140.03046	8.5
140.53236	1.0
141.06978	1.6
142.07771	4.9
145.06482	9.2
145.10132	1.1
146.07249	10.5
146.08415	0.5
147.04416	0.4
147.08041	17.7
147.11690	8.3
148.08409	0.6
149.03598	4.3
149.53722	0.3
151.53847	2.7
152.69583	0.4
157.06497	0.5
157.10104	4.2
158.07240	0.8
159.08026	1.2
160.05232	0.7
160.08826	24.7
160.54413	0.6
160.59027	0.5
161.09174	0.7
163.04654	0.7
173.09654	1.7
175.03868	1.0
175.07635	3.1
175.11169	100.0
175.14650	7.6
176.07031	1.3
176.11533	2.4
179.50807	0.4
182.23994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03943	0.5
55.01850	0.4
55.05503	1.9
56.96560	0.8
58.87346	0.4
60.05636	0.5
65.03939	0.4
67.05485	1.5
69.03418	0.9
69.07064	2.7
69.89429	1.9
70.06580	1.5
79.05482	0.8
81.03397	0.4
81.07058	2.6
83.04955	0.4
83.08605	0.7
85.02902	0.6
91.05489	5.0
93.07016	1.5
95.04928	0.4
95.08628	1.8
95.09090	0.3
97.02859	0.7
98.98466	4.7
103.05457	0.5
105.07031	14.9
107.04936	1.1
107.08597	2.0
109.06442	0.5
109.10101	0.3
115.05436	1.5
117.07013	1.6
118.06595	0.4
119.04937	0.5
119.06863	3.1
119.08578	18.3
121.06499	9.2
121.07360	0.4
121.10152	0.5
127.03853	0.5
129.07001	2.0
130.06523	7.6
131.04935	1.0
131.08565	1.5
132.05695	0.5
133.06506	6.3
133.10126	13.3
135.08006	1.5
141.07077	0.6
142.07776	4.5
145.06487	4.3
145.10097	2.0
146.07266	6.7
147.04419	1.7
147.08046	10.9
147.11678	7.4
150.12263	0.4
151.20715	0.4
155.08583	0.4
157.10097	3.7
158.06004	0.9
158.09280	0.4
159.08032	0.9
160.05196	1.5
160.08839	14.2
161.15633	0.3
173.09720	0.8
173.69286	0.4
175.07724	4.8
175.11182	100.0
175.14771	18.4
176.06940	2.1
176.11533	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	174.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71761	0.5
53.03943	0.5
53.27364	0.5
55.01867	2.1
55.05500	2.6
55.93534	0.9
56.05025	2.1
56.05833	0.9
56.96568	14.1
57.03234	0.4
57.03437	5.4
57.04576	0.6
57.07052	0.7
58.06604	29.6
58.65078	0.6
59.06116	2.8
59.07384	19.8
60.04530	12.6
60.05636	2.3
60.08167	8.8
61.02924	1.2
65.12416	0.6
67.05494	2.1
68.05014	2.3
69.03432	5.4
69.07073	16.6
70.06600	6.3
70.95871	12.3
71.04990	1.2
71.10526	0.6
71.10851	1.3
72.04517	1.8
72.08154	1.7
72.73621	0.6
72.93796	10.8
73.02911	2.9
73.06551	1.3
74.06082	1.0
75.05593	2.5
79.05489	0.7
81.03437	0.8
81.04572	0.9
81.07063	1.2
82.06565	1.1
83.04961	2.2
83.06100	1.7
83.97626	0.9
84.04508	8.2
84.05302	1.4
84.08145	4.1
85.02910	6.4
85.04034	0.9
85.07662	0.9
86.06069	4.0
86.09698	2.1
87.04449	1.2
87.05603	4.5
88.96909	3.8
90.94822	3.5
91.05479	2.0
91.94829	0.6
93.07055	1.2
95.04998	0.7
95.06091	0.8
96.04493	4.7
97.02897	21.1
97.03887	0.8
97.06529	1.3
97.07660	0.7
98.06047	1.5
98.07189	0.8
98.97579	13.1
98.98460	11.7
99.05579	1.9
100.04003	1.0
100.07615	1.1
101.06013	1.3
102.05543	2.7
102.06349	0.7
105.07028	2.1
106.97971	0.5
107.08592	0.8
108.95862	1.1
109.07604	0.5
110.01252	0.8
110.06033	1.1
111.04414	1.9
111.98479	11.5
112.04784	1.2
113.06011	0.6
113.07120	0.6
113.96415	1.7
113.98666	2.7
114.05538	11.5
114.06625	1.8
115.03951	4.1
116.07077	2.7
116.98633	11.3
118.06557	1.6
119.01786	0.9
119.08556	2.7
126.06637	1.9
127.08639	0.6
128.07097	4.3
128.10716	2.5
129.05472	0.9
129.99524	10.5
130.01822	0.9
130.05775	0.9
130.08662	1.5
130.09697	1.4
131.00705	0.8
131.97443	2.7
131.99698	7.3
132.06573	2.2
132.08081	1.2
132.95845	17.1
132.99205	0.7
133.06111	0.9
133.10141	0.9
134.99667	6.9
137.02867	1.4
146.06020	3.1
146.08124	2.4
147.04417	1.3
147.08139	1.0
149.96165	0.9
149.98524	2.4
150.00757	10.3
150.96899	48.7
151.93709	0.8
153.00908	1.0
153.04959	4.8
154.94196	2.0
155.97440	11.0
156.06439	1.2
156.07510	1.8
156.10194	0.8
157.09819	0.9
158.99649	8.1
161.04726	0.9
162.05464	6.5
162.43996	0.8
167.97220	1.0
168.01788	1.3
168.97873	2.1
171.05951	1.3
172.95267	6.0
173.56252	1.2
173.98505	18.6
174.05473	2.2
174.07570	20.8
174.08846	2.7
174.12695	4.0
174.14906	100.0
175.04036	1.4
175.06050	0.8
175.07538	2.5
175.11119	0.6
175.11993	1.3
175.15202	3.5
177.00731	13.0
178.01118	0.7
185.96519	0.8
190.96312	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	174.149
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
55.01942	2.0
55.05280	1.6
55.05579	11.8
56.04847	0.7
56.05104	1.5
56.96617	1.1
57.03510	4.9
57.07147	2.3
58.06644	0.6
58.73282	0.5
59.05048	1.1
59.06187	1.7
60.04256	1.2
60.04597	9.3
62.66896	0.5
63.89349	0.5
67.05576	3.8
68.05096	2.4
68.74657	0.5
69.03497	3.8
69.06728	2.1
69.07140	27.1
69.97536	2.7
70.06664	2.0
70.95929	1.8
71.05064	1.9
72.04572	1.1
72.08222	1.0
72.93859	1.6
73.06601	0.8
75.05637	0.7
79.05501	5.3
81.07055	6.0
82.06622	0.6
82.90101	0.6
83.04979	3.9
83.06211	0.5
83.08666	0.8
84.04503	8.5
85.02892	3.8
85.04078	1.2
86.06059	3.3
86.09770	1.2
87.04529	1.0
87.05590	2.7
88.43861	0.5
88.59563	0.5
88.96958	0.5
90.94874	0.8
91.05549	3.2
93.07046	10.0
95.05030	0.6
95.08603	8.2
96.04475	4.1
97.02889	22.7
97.06519	5.2
97.07702	0.5
97.10168	11.7
98.03239	0.8
98.06136	0.7
98.98465	7.0
99.05613	0.6
100.04050	0.7
100.07649	0.6
101.06054	1.6
102.05612	1.7
103.05098	0.8
105.07038	2.9
111.04491	1.3
111.11790	2.2
111.98529	2.1
112.04842	1.2
112.85509	0.5
114.05529	11.2
114.06261	0.7
114.06742	0.6
115.03951	2.7
117.07012	0.7
118.06580	2.1
119.08562	4.3
121.10143	7.7
126.06696	1.7
128.07133	1.9
128.10756	0.6
129.05522	0.6
129.07039	0.6
129.99533	1.2
130.05838	0.9
131.08575	0.7
132.06575	2.6
132.08109	1.0
132.95837	3.2
133.06412	0.8
133.10144	2.6
138.12831	1.7
139.11157	4.5
146.06004	2.8
146.08133	2.4
147.08116	0.7
150.96884	6.6
155.97464	1.7
156.13837	100.0
157.10097	0.8
157.14198	3.4
173.98491	2.7
174.05495	3.1
174.07593	25.1
174.12688	4.0
174.14896	42.0
175.03857	1.0
175.06143	0.7
175.07616	2.3
175.11163	2.4
175.14825	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03958	1.0
56.05027	2.4
57.03433	8.9
60.04527	43.8
60.84467	1.1
61.02919	2.0
68.05017	5.5
68.10844	0.9
69.03431	13.6
71.05201	2.4
72.04523	1.3
79.05505	1.6
84.04505	30.7
85.02908	14.5
86.06065	3.7
91.05481	2.0
96.04501	14.6
97.02894	85.0
98.03185	1.3
98.98459	5.5
102.05555	7.3
103.42445	1.1
105.07034	3.7
114.05527	40.1
115.03951	7.1
115.05444	2.1
117.07018	1.7
119.08599	6.4
128.07104	1.2
130.06534	2.4
131.08595	2.5
132.06627	5.1
132.08868	5.9
133.10121	3.3
138.05498	1.4
142.06509	1.6
144.08089	2.1
146.08218	1.8
146.10497	1.3
156.06544	3.0
159.06819	4.2
174.07642	100.0
174.09116	8.3
174.13828	5.9
175.07784	2.5
175.11238	2.4
175.14821	7.1
182.81310	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0763
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03944	1.0
55.05510	1.3
56.05027	2.0
57.03436	9.1
59.06104	0.8
60.04527	43.1
61.02931	1.0
68.05023	4.9
69.03431	14.3
69.07053	1.7
71.33865	1.6
72.04526	1.2
72.93793	1.1
73.02924	0.9
81.07056	0.9
84.04509	31.4
85.02907	12.3
86.06077	2.9
87.04474	0.9
91.03989	0.8
91.05467	2.9
95.08586	0.9
96.04494	14.8
97.02894	91.3
98.03252	1.7
98.98473	6.4
100.03935	1.0
102.05563	8.9
105.07029	3.8
111.04457	1.2
114.05535	40.4
115.03947	9.1
117.06990	0.8
118.06558	1.8
119.08588	8.9
128.07082	1.3
129.07010	1.1
131.08536	1.2
132.06602	4.5
132.08070	1.6
132.08932	1.7
132.95840	0.9
133.10143	7.0
138.05481	1.6
146.06021	1.9
146.08139	2.2
147.08073	0.9
150.96887	2.3
155.97157	0.8
156.06514	2.5
159.11320	0.8
160.05136	0.9
167.36299	0.8
169.06442	0.7
174.07622	100.0
174.12697	2.7
174.13826	1.3
175.07608	3.9
175.11160	2.7
175.14821	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
50.46647	0.6
55.01871	0.6
55.05498	1.0
56.05039	2.6
57.03438	10.9
60.04528	44.6
61.02914	1.3
67.05507	1.0
68.05030	4.7
69.03429	15.8
69.07076	1.2
69.46824	4.6
69.47227	0.9
72.04518	0.8
81.07063	1.5
84.04508	31.9
85.02908	13.0
85.09553	0.6
86.06072	4.9
91.03955	0.8
91.05490	1.7
96.04493	15.0
97.02894	92.2
98.03245	1.4
98.06027	0.8
98.98470	5.0
100.04005	1.0
102.05553	8.7
104.69590	0.7
105.07029	5.2
114.05535	38.1
115.03937	7.5
118.06561	0.8
118.07388	0.6
119.08583	6.2
122.66645	0.6
126.05510	1.3
128.07060	1.1
131.08582	2.1
132.06540	4.6
132.08041	1.2
132.08917	4.4
133.10136	4.7
138.05511	1.0
145.10081	1.0
146.06035	1.1
146.08131	1.4
147.04492	0.7
147.11687	0.9
156.06548	2.2
160.05270	0.8
174.07626	100.0
175.07816	2.8
175.11186	2.8
175.14827	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03928	1.8
55.05507	2.3
55.27755	1.1
56.05028	1.8
57.03436	9.4
59.06096	1.2
60.04528	41.4
61.02918	1.3
67.05492	1.2
68.05012	4.5
69.03435	15.8
69.07050	4.7
69.62174	8.4
70.95856	1.5
72.04494	1.1
72.93777	1.3
77.19945	1.0
81.07036	3.8
83.04961	1.3
84.04507	31.6
85.02905	14.6
86.06082	4.9
86.09711	5.1
87.05585	1.5
91.05449	4.4
91.71398	1.1
93.07005	1.3
95.08576	1.9
96.04499	13.6
97.02897	86.2
98.03230	1.6
98.21571	1.9
98.98454	4.7
102.05549	9.2
105.07028	7.6
107.08564	2.3
111.85339	1.0
111.98511	1.3
114.05538	40.2
115.03941	8.0
119.08585	23.7
128.07092	3.0
128.10732	1.2
129.07027	1.2
131.08557	2.1
132.06567	4.6
132.08914	2.3
132.95883	1.5
133.10141	24.3
145.06441	1.3
146.06003	1.9
146.10504	1.6
147.11658	3.9
150.96883	3.3
156.06512	2.4
159.08043	3.4
160.12479	1.3
174.07623	100.0
174.10172	2.6
174.13716	1.7
175.07771	2.4
175.11205	4.3
175.14853	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	173.1537
Annotation	cis-p-Menthan-1,8-diol
Peak:m/z	Relative Intensity
51.48449	0.5
53.03947	1.1
55.05515	11.7
56.96548	0.8
57.03444	1.9
57.07082	3.1
59.05001	2.2
60.04533	0.7
65.03965	0.8
67.05507	8.6
69.03425	1.0
69.07073	32.8
69.52773	2.2
69.53208	2.9
70.06595	0.7
71.04996	2.3
71.08604	0.6
79.05494	5.9
80.17271	0.6
81.07063	100.0
82.07416	1.7
83.04984	8.1
84.04513	1.0
85.02918	0.7
85.06557	2.4
86.06061	1.0
87.04485	0.8
91.05479	3.7
93.07044	0.7
95.08613	40.3
95.93716	0.6
96.04501	1.0
96.08973	1.0
97.02914	1.1
97.10175	2.8
97.10771	0.6
99.04458	2.6
99.08097	2.0
101.06008	5.2
103.03310	0.9
105.07018	3.1
109.10169	5.6
111.04445	7.2
111.11723	32.1
112.12128	0.7
113.06016	1.4
114.05540	1.1
115.05441	1.2
116.06213	0.8
117.07020	3.9
117.76553	0.6
118.06544	1.6
119.08584	2.6
125.13237	0.7
127.07571	2.2
129.05513	4.0
129.07005	2.5
130.07832	0.8
131.08575	17.1
132.08934	0.8
133.39249	0.6
137.13268	21.6
138.13591	0.6
143.08585	3.2
144.09372	1.7
145.06450	1.6
145.10139	11.3
146.06027	0.8
148.75357	0.7
155.07074	7.5
155.08430	1.0
155.14293	6.0
158.07286	1.7
158.10931	6.4
159.29858	0.6
173.02312	1.5
173.05925	1.6
173.08145	14.3
173.09639	6.9
173.13269	30.0
174.05489	1.4
174.07631	2.7
174.12625	0.8
174.13783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05504	1.3
57.03421	0.5
58.92871	0.3
67.05501	1.7
69.03423	0.3
69.84991	0.3
71.50911	0.5
75.48873	0.3
75.87502	0.3
76.02218	0.4
79.05469	0.6
81.07047	0.8
83.04984	1.5
86.06075	0.5
90.90369	0.5
91.05488	4.0
96.04510	0.4
97.02906	0.5
97.64020	0.3
98.98405	0.3
101.06004	0.8
103.03314	0.5
103.05447	0.3
105.07031	4.6
106.32486	0.3
111.04443	1.6
111.27000	0.3
113.06008	0.3
115.05450	0.5
116.06211	0.7
117.07005	3.0
119.08588	7.6
128.06195	0.9
129.05472	0.8
129.06996	3.7
130.07841	1.7
131.08574	39.1
132.08911	0.9
133.06583	0.3
133.10123	1.6
142.07802	0.5
143.08568	12.4
144.09364	4.6
145.10129	19.0
149.94017	0.6
155.07101	1.5
155.08429	0.4
156.09363	0.7
157.10158	1.0
158.07289	1.3
158.10921	24.0
159.11195	0.7
171.11702	1.8
173.08217	3.0
173.09671	4.4
173.13269	100.0
174.13644	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.25668	0.2
51.44075	0.2
53.03950	0.4
53.81716	0.2
54.68064	0.2
55.05508	0.4
57.07057	0.6
62.89302	0.3
64.29770	0.3
65.03922	0.3
67.05505	1.5
67.34936	0.3
69.07054	0.3
71.60461	0.4
79.05490	0.6
81.07059	1.4
83.04979	0.3
91.05481	4.8
93.07018	0.5
95.04963	0.3
101.06020	0.3
105.07035	5.2
107.08555	0.3
111.04522	0.3
115.05430	1.4
116.06254	0.7
117.06218	0.5
117.07033	7.8
119.08589	7.6
128.06239	0.7
129.05510	0.4
129.07014	5.7
130.07811	2.0
131.08571	32.3
132.08885	0.4
133.10141	1.5
142.07765	0.4
143.08566	12.9
144.09349	6.0
145.10130	24.2
146.10466	0.6
155.07118	0.4
155.08566	0.5
156.09352	1.1
157.10130	0.9
158.07288	0.9
158.10918	20.8
159.11580	0.7
159.76912	0.3
171.11705	1.3
173.09802	5.4
173.13269	100.0
174.13617	2.5
192.96565	0.3
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
50.44817	0.3
53.03953	1.0
55.01864	0.8
55.05503	2.7
57.03444	0.4
57.07084	0.6
59.04998	0.4
64.50567	0.3
65.03934	0.7
67.05504	3.4
70.14569	1.4
71.39790	0.3
79.05476	2.0
80.58380	0.4
81.03411	0.8
81.07050	1.5
83.04973	2.9
85.06557	0.3
86.06062	0.4
90.90367	0.7
91.05475	14.4
93.07043	1.1
95.04980	0.8
95.08625	0.7
96.04531	0.5
101.06016	1.8
103.03315	0.5
103.05473	2.7
105.07023	27.4
106.07341	0.5
107.04941	0.6
107.08585	0.4
111.04450	2.1
114.05475	0.5
115.05435	4.7
116.06248	2.6
117.07010	18.8
118.06558	0.6
119.08578	10.8
119.37536	0.3
127.07561	0.5
128.06209	3.5
128.07085	0.5
129.05576	1.9
129.07002	10.1
130.07785	13.1
130.08752	0.7
131.04929	3.4
131.08562	51.1
132.05701	0.7
132.08910	1.1
133.06470	0.8
133.10065	1.7
141.06961	0.5
142.07780	1.0
143.08554	16.2
144.05687	1.5
144.09349	6.4
145.06487	4.2
145.10114	40.5
146.08051	0.4
146.10480	1.0
149.94020	0.4
153.06956	0.6
154.07834	0.4
155.05971	0.3
155.07039	2.3
155.08563	3.1
156.09290	1.2
157.10065	0.6
158.05965	0.3
158.07268	6.0
158.10907	22.6
159.11417	0.4
171.11676	1.9
173.04587	0.6
173.06412	0.7
173.08273	4.8
173.09619	89.0
173.13245	100.0
174.05487	0.7
174.07719	0.6
174.09961	3.0
174.13783	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03965	0.4
55.01852	0.3
55.05507	4.2
56.96569	0.9
57.03431	0.9
57.07072	1.3
58.07418	0.8
59.04994	0.6
60.04502	0.4
65.03933	0.3
67.05508	2.1
67.11346	0.3
69.03419	0.4
69.07068	0.4
69.90630	1.6
71.04997	0.5
71.08614	0.4
72.93787	0.7
74.06078	0.7
79.05502	0.9
81.07041	2.2
83.04980	4.5
84.04512	0.5
85.02941	0.5
86.06084	0.7
86.52428	0.3
87.39816	0.3
88.07637	1.9
89.07962	1.5
90.90382	1.0
91.05487	7.0
93.07037	0.7
95.05009	0.5
95.08630	0.3
96.04487	0.8
97.02896	0.8
101.06017	3.3
102.09187	0.9
103.03243	0.4
103.05490	0.4
103.06474	0.3
103.09509	0.8
105.07026	8.5
109.10155	0.5
111.04442	4.3
113.06020	0.5
114.05531	0.8
115.05463	1.1
116.06259	1.8
117.05727	0.4
117.07018	5.2
118.06600	0.7
119.08582	8.9
119.20457	0.3
127.07568	0.9
128.06230	1.0
129.05496	3.0
129.06987	5.7
130.07780	2.6
131.08566	62.5
132.08035	0.5
132.08917	1.1
133.10132	1.7
137.06042	0.4
142.07762	1.1
143.08556	14.1
144.09352	5.1
145.06526	0.7
145.10123	21.4
146.05997	0.4
149.94032	1.2
150.06197	1.0
150.56366	0.4
153.07019	0.4
155.07033	4.5
155.08441	0.8
156.09296	1.1
157.10124	0.9
158.07353	1.5
158.10907	25.9
159.11685	1.5
167.97112	0.4
171.11687	1.4
173.04449	1.2
173.05879	0.6
173.08139	6.9
173.09654	7.9
173.13260	100.0
173.17302	13.5
174.05450	0.8
174.07613	1.1
174.10143	0.3
174.13725	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	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.4
55.05514	1.5
57.07076	0.4
60.03417	0.3
65.03947	0.3
67.05492	1.2
68.05866	0.3
70.92152	0.7
79.05495	0.6
80.05338	0.3
81.07043	1.6
83.04977	1.5
90.90395	2.1
91.05486	4.2
91.92754	0.3
95.04975	0.2
95.08613	0.4
96.04500	0.3
96.06116	0.3
101.06017	1.1
103.03310	0.4
103.05428	0.3
105.07030	5.0
111.04433	1.1
115.05444	1.1
116.06244	1.0
117.07033	7.9
119.08586	7.2
128.06226	0.9
129.05493	1.0
129.07002	5.1
130.07846	1.8
131.08572	34.7
131.92967	0.3
132.08931	0.6
133.10130	1.3
142.07791	0.4
143.08568	11.1
144.09369	6.1
145.10130	23.1
149.94040	2.3
155.07036	1.0
155.08472	0.4
156.09398	0.5
157.10092	0.5
158.07274	0.9
158.10919	20.9
159.11560	0.7
167.95126	0.4
171.11693	1.5
172.95686	0.7
173.08269	2.3
173.09697	2.7
173.13269	100.0
174.13702	2.1
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	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.02110	0.3
51.02369	0.3
53.03940	0.6
55.05510	3.5
57.03440	0.5
57.07064	0.5
59.04993	0.7
67.05496	3.0
69.07061	0.6
70.47121	0.3
71.59052	0.4
71.59444	0.4
79.05486	2.6
81.03391	0.4
81.07047	2.7
82.36063	0.3
83.04974	3.2
84.04507	0.4
86.06071	0.7
90.90382	0.7
91.04903	0.6
91.05473	10.3
93.07037	1.3
95.04959	1.0
95.08613	0.8
96.04539	0.3
96.30357	0.3
97.02905	0.5
98.98492	0.3
101.06013	2.6
103.03299	0.4
103.05477	1.7
105.07024	15.5
107.04924	0.6
107.08599	0.6
108.54102	0.3
111.04447	3.7
111.64744	0.4
113.05991	0.5
114.05534	0.6
115.05434	5.3
116.06235	1.7
117.07014	19.1
118.06554	0.6
119.08575	9.1
119.09438	0.5
121.44856	0.3
127.07561	0.4
128.06239	2.6
128.07066	0.4
129.05524	2.7
129.06993	9.2
130.06616	0.3
130.07790	9.5
131.04982	1.6
131.08560	49.4
132.05688	0.5
132.06583	0.5
132.08028	0.4
132.08916	0.9
133.06450	0.9
133.10112	1.4
142.07759	0.7
143.08560	12.9
143.09700	0.7
144.05695	1.6
144.09332	5.9
145.06477	7.5
145.10115	45.7
146.05939	0.6
146.10445	1.3
149.94063	0.8
153.06993	1.1
154.07774	0.4
155.05957	0.6
155.07037	2.6
155.08551	4.4
156.09358	0.8
157.06459	0.4
157.10164	0.9
158.05934	0.5
158.07269	10.6
158.10910	19.2
159.07956	0.4
159.11464	0.4
171.11716	1.3
172.95615	0.4
173.04497	1.1
173.05959	3.7
173.08176	5.4
173.09618	44.4
173.13249	100.0
174.05426	0.5
174.07660	0.7
174.10020	1.6
174.13759	2.5
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	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
59.14622	0.4
67.05485	1.4
69.92313	0.7
69.92725	1.3
79.05481	0.7
81.07053	0.7
83.04977	1.9
88.74306	0.4
90.90377	0.6
91.05472	6.1
96.04475	0.3
98.98486	0.5
99.04376	0.3
101.06000	1.2
102.04693	3.8
103.50043	0.3
105.07031	4.5
111.04423	2.0
113.03884	0.4
115.05427	3.7
116.06226	0.6
117.07024	3.7
119.08587	7.4
128.06236	0.7
129.05458	1.1
129.06996	4.4
130.04129	3.2
130.07790	1.9
131.08565	38.0
132.08885	0.9
133.10132	1.6
142.07774	0.7
143.08562	11.8
144.09370	4.5
145.06482	1.9
145.10124	18.6
146.10443	0.5
155.07005	1.6
155.08377	0.5
156.09296	0.9
157.10110	0.9
158.03616	1.7
158.07278	0.8
158.10912	22.0
159.11261	0.6
171.11710	1.4
173.05959	0.9
173.08217	3.0
173.09665	3.3
173.13260	100.0
174.07605	0.6
174.13611	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.2
57.03424	0.3
57.07068	0.4
57.80562	0.3
59.04998	0.3
59.12632	0.3
63.83134	0.2
65.03942	0.4
67.05495	1.9
70.96132	0.6
70.96477	0.3
73.20195	0.3
79.05486	0.7
81.07045	1.3
83.04960	2.2
86.06020	0.3
89.02361	0.3
90.90367	0.4
91.05478	3.4
101.06007	1.7
105.07022	4.5
109.10139	0.6
111.04434	2.4
113.05983	0.3
114.05534	0.4
115.05473	0.9
116.06236	0.7
117.07031	3.6
119.08587	6.9
127.07529	0.6
128.06219	1.2
129.05519	1.3
129.07002	4.4
130.07788	2.4
131.08563	24.5
132.08900	0.4
133.10117	1.2
142.07779	0.8
143.08559	13.6
144.09355	4.4
145.06514	0.6
145.10121	19.2
146.10490	0.6
155.07036	1.8
155.08546	1.0
156.09299	0.9
157.10117	0.4
158.07314	1.5
158.10913	24.3
159.11310	0.6
171.11742	1.4
173.04550	0.5
173.08133	3.1
173.09633	8.0
173.13258	100.0
174.05499	0.4
174.07597	0.6
174.13673	3.2
174.18489	0.3
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
50.10537	0.2
53.03953	0.5
55.01875	0.4
55.05511	2.1
57.03428	0.4
57.07077	0.4
59.04995	0.3
64.35394	0.2
65.03933	0.3
67.05499	2.1
71.59413	0.3
78.42961	0.2
79.05090	0.2
79.05489	1.3
79.25005	0.2
81.03413	0.4
81.07050	1.9
83.04988	1.4
85.06513	0.3
86.06071	0.4
91.05471	7.9
92.05798	0.2
93.07031	1.0
95.04963	0.5
95.08600	0.5
96.04507	0.2
97.02878	0.4
98.98458	10.1
101.06011	1.9
103.05449	1.0
104.39884	0.2
105.07021	13.1
107.08553	0.3
111.04448	1.5
113.05979	0.2
114.05534	0.3
115.03928	0.4
115.05444	2.5
116.06245	1.5
116.99515	0.3
117.07010	10.2
117.07845	0.5
118.06495	0.3
119.08571	9.5
120.30422	0.2
127.07533	0.4
128.06215	2.0
128.07022	0.4
128.34477	0.3
129.05553	1.4
129.06995	9.0
130.07788	6.3
131.04962	1.1
131.08557	42.9
132.06569	0.3
132.08907	1.1
133.06494	0.4
133.10106	1.6
142.07774	0.5
143.08551	13.5
144.05701	0.5
144.09344	5.6
145.06485	2.3
145.10114	33.4
146.10464	0.7
152.94743	0.2
153.06970	0.8
155.04887	0.3
155.05969	0.3
155.07246	1.7
155.08514	2.3
156.09338	0.9
157.10080	1.0
158.07283	5.1
158.10904	23.0
159.11340	0.7
171.11699	1.6
173.04585	0.6
173.05934	1.0
173.08206	3.2
173.09624	32.5
173.13246	100.0
174.07573	0.7
174.09943	0.9
174.13687	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	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.1
57.03430	0.5
57.07064	0.4
57.33812	0.3
59.05007	0.7
62.50354	0.4
67.05511	1.9
68.05022	0.4
69.03413	0.6
69.54498	0.3
71.28876	0.5
71.29201	0.5
72.47054	0.3
76.02243	0.3
79.05470	1.0
81.07041	1.4
83.04982	3.0
85.02854	0.3
86.06078	0.3
87.04469	0.5
89.02400	0.5
90.90351	0.5
91.05478	4.6
93.07053	0.4
93.20441	0.4
98.98462	1.0
101.06028	3.2
103.03183	0.4
103.05497	0.4
105.07036	6.0
111.04447	3.8
113.02299	0.4
113.05990	0.5
114.05533	0.7
115.03928	0.4
115.05453	1.1
116.06238	1.5
117.07012	3.7
118.06512	0.5
119.08579	9.2
127.07526	0.8
128.06212	0.8
128.07080	0.5
129.05492	3.5
129.07001	3.9
130.07780	2.1
131.08572	39.3
132.08951	0.8
133.10126	1.5
138.41655	0.4
142.07741	0.7
143.08559	12.3
144.09352	5.4
145.06433	1.1
145.10121	20.2
146.08090	0.6
146.10519	0.4
149.94002	0.9
155.07025	4.1
155.08324	0.6
156.09337	0.5
157.10112	0.6
158.07268	1.6
158.10921	21.7
171.11722	1.3
173.08162	7.0
173.09654	8.1
173.13264	100.0
174.05466	0.5
174.07642	1.6
174.13721	3.0
176.94614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0962
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03961	0.5
55.05513	0.7
60.98892	0.4
67.05487	0.6
70.01009	1.5
70.01422	0.6
79.05473	1.5
83.04965	0.8
84.04495	0.5
91.05473	2.0
95.04972	0.4
97.02874	0.5
98.21375	0.6
101.06002	0.8
102.74033	0.4
103.05436	0.7
105.07027	2.3
107.04958	3.2
111.04441	1.0
115.05453	1.6
116.06217	0.8
117.07021	7.3
128.06201	1.1
129.05458	0.7
129.06982	2.0
130.07797	2.2
131.04939	2.9
131.08569	3.1
132.05760	1.7
132.06589	0.5
133.06445	0.4
141.06970	0.7
143.08574	1.6
144.05695	7.7
145.06488	11.9
145.07642	0.9
145.10120	4.2
151.93376	0.4
153.07018	1.2
154.07721	0.5
155.05943	2.0
155.07057	1.4
155.08493	3.0
157.06496	2.0
158.07268	11.0
158.10872	1.2
159.07570	0.5
171.08044	1.1
173.09616	100.0
173.13062	4.7
174.05432	0.4
174.07597	1.3
174.09947	3.5
183.09081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.80455	0.1
53.03939	0.4
55.01871	0.4
55.05514	0.7
55.53985	0.1
57.03436	0.2
57.07074	0.2
57.37028	0.1
58.04679	0.1
65.03942	0.6
67.05501	2.7
69.07037	0.2
70.53190	0.1
71.58057	0.2
77.03913	0.3
78.38606	0.1
79.05492	1.8
81.03419	0.5
81.07054	2.0
83.04982	0.7
84.55970	0.1
86.06054	0.2
91.05478	11.5
92.05803	0.1
93.07063	1.1
95.04970	0.6
95.08595	0.4
98.98473	0.8
101.06000	0.4
103.05465	1.5
105.07029	20.0
106.07353	0.4
107.04955	0.4
107.08594	0.3
111.04447	0.8
114.05493	0.3
115.05450	3.5
116.06244	1.9
117.07018	13.9
118.07378	0.4
119.08579	10.3
120.08923	0.2
128.05252	0.3
128.06210	2.7
128.07063	0.2
129.05450	0.5
129.05914	0.2
129.07004	9.0
130.07799	9.7
131.04929	2.7
131.08566	46.4
132.05685	0.6
132.06616	0.2
132.08862	1.1
133.06497	1.0
133.10124	1.9
141.07004	0.3
142.07787	0.8
143.08557	15.7
144.05717	0.9
144.09349	6.5
145.06487	3.2
145.10121	36.3
146.10483	0.8
153.06967	0.8
154.07784	0.4
155.05965	0.4
155.07053	0.5
155.08549	2.2
156.09358	0.8
157.06470	0.4
157.10182	1.1
158.07294	4.8
158.10915	21.7
159.11357	0.7
171.08055	0.2
171.11697	1.9
173.04482	0.6
173.09636	62.8
173.13252	100.0
174.05618	0.2
174.07678	0.3
174.09958	2.6
174.13615	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	173.0963
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03952	1.0
55.01868	1.0
55.05509	1.8
57.07062	0.5
59.05000	0.4
65.03947	0.5
65.40872	0.3
67.05504	2.8
71.60357	0.4
76.02240	0.3
79.05516	2.2
81.03428	0.7
81.07069	1.4
83.04986	2.4
84.04557	0.3
87.04471	0.4
90.90368	1.5
91.05487	11.9
93.07066	1.1
95.05003	0.4
96.04567	0.4
98.98450	0.4
101.06010	1.6
103.05483	1.8
105.07037	26.7
106.07372	0.5
107.04960	0.7
107.08604	0.4
108.64713	0.3
111.04436	2.2
115.05448	4.8
116.06252	2.3
117.07022	16.7
119.08585	10.2
119.09438	0.5
127.07587	0.4
128.06244	3.7
128.07126	0.5
129.05586	1.7
129.07008	10.3
130.07803	12.5
131.04927	4.2
131.08575	47.7
132.05707	0.8
132.08925	1.0
133.06497	1.0
133.10147	1.3
137.62369	0.3
142.07776	0.5
143.08569	16.1
144.05719	1.2
144.09369	5.9
145.06500	4.5
145.10132	39.2
146.10481	1.0
147.92685	0.4
149.94078	2.4
153.07004	0.8
155.06015	0.5
155.07283	2.4
155.08379	2.6
156.09332	1.0
157.06534	0.4
157.10062	0.5
158.06085	0.6
158.07306	6.2
158.10928	22.5
159.11273	0.5
168.93668	0.3
171.11679	2.3
172.95685	0.6
173.06474	0.7
173.08325	4.5
173.09644	86.1
173.13264	100.0
174.07664	0.5
174.09998	3.3
174.13629	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	173.0963
Annotation	Palutropone
Peak:m/z	Relative Intensity
51.02380	0.2
51.93555	0.1
53.03949	0.3
55.01867	0.4
55.05511	0.7
57.03442	0.2
57.07064	0.3
59.04995	0.1
65.03941	0.4
67.01865	0.2
67.05162	0.2
67.05507	2.9
69.07059	0.3
71.61125	0.2
76.02258	0.1
77.03931	0.3
79.05495	1.9
81.03410	0.6
81.07057	1.9
83.04984	0.5
90.90420	0.2
91.05483	10.3
92.05814	0.2
93.07063	0.9
95.04958	0.5
95.08640	0.2
95.20422	0.1
97.02911	0.2
101.06013	0.3
103.05470	1.5
105.07035	18.8
106.07349	0.4
107.04919	0.5
107.08593	0.3
111.04459	0.6
115.05450	3.2
116.06266	1.7
117.07025	12.9
118.07327	0.2
119.08585	9.2
127.05388	0.1
128.06210	2.8
128.07100	0.2
129.05464	0.4
129.07010	9.1
130.07802	10.0
131.04944	2.2
131.08574	43.6
132.05670	0.5
132.08852	1.0
133.06490	0.8
133.10147	1.6
141.06941	0.2
142.07756	0.6
142.22812	0.1
143.08568	15.5
144.05711	1.0
144.09363	6.0
144.10527	0.2
145.06491	3.1
145.10129	34.9
146.10500	0.9
149.94048	0.6
153.07016	0.7
154.07736	0.4
155.05971	0.3
155.07101	0.5
155.08560	2.2
156.09421	1.1
157.06558	0.2
157.10127	0.8
158.07303	5.2
158.10928	22.3
159.11435	0.5
171.11696	1.7
172.95676	0.2
173.08542	1.9
173.09648	59.6
173.13261	100.0
174.07686	0.2
174.10004	2.1
174.13623	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	173.0962
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03953	0.7
55.01870	1.2
55.05505	1.7
57.03429	0.3
57.07083	0.4
65.03941	0.4
67.05494	2.8
70.50539	0.3
71.57761	0.3
79.05502	2.1
81.03439	0.9
81.07056	1.4
83.04983	1.4
85.48703	0.3
86.06054	0.4
91.05479	12.8
92.05798	0.4
93.07069	0.8
95.04977	0.7
101.05984	0.5
103.05482	2.4
105.07028	24.6
106.07392	0.3
107.04974	0.9
111.04459	1.5
115.05450	3.5
116.06232	2.0
117.07018	16.2
119.08584	9.6
128.06204	2.8
129.05537	0.6
129.06999	8.6
129.07910	0.7
130.07791	10.6
131.04932	3.9
131.08566	44.6
132.05663	0.7
132.08926	1.3
133.06467	0.4
133.10147	1.2
142.07787	0.5
143.08560	14.9
144.05710	1.1
144.09355	5.0
145.06474	3.7
145.10121	36.9
146.05942	0.3
146.10423	0.8
149.94054	0.4
153.07004	0.7
154.07843	0.3
155.05951	0.6
155.07076	0.9
155.08551	2.5
156.09340	1.1
157.10083	0.5
158.07285	5.7
158.10909	19.9
159.11316	0.4
171.11726	1.7
171.89891	0.3
173.04559	0.7
173.08319	3.3
173.09625	88.4
173.13251	100.0
174.05602	0.4
174.09959	2.8
174.13626	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	171.138
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03945	2.1
55.01846	2.0
55.05514	14.6
55.66932	1.8
55.83590	1.8
57.03432	4.1
57.07066	4.3
59.04990	7.1
67.05505	10.0
69.03440	2.7
69.07069	17.1
71.04996	92.6
71.35796	3.1
72.04525	13.6
72.08160	10.5
73.06559	23.9
79.05489	21.2
81.07061	100.0
83.04990	6.2
83.08597	9.3
85.02917	3.4
85.06563	12.3
89.07158	10.4
91.05476	5.6
93.07049	55.5
95.04974	2.8
95.08617	15.4
97.06535	17.7
107.04971	2.1
107.08596	46.5
109.10162	18.0
111.04496	3.0
111.08092	7.8
111.09193	4.8
118.43102	1.8
123.11716	34.4
125.09634	4.3
127.11265	2.7
128.06238	4.4
135.08150	2.1
135.11699	76.3
139.03885	2.8
141.12743	72.7
141.13858	3.5
143.08511	3.9
147.96922	2.3
153.09137	1.9
153.12755	89.0
156.09413	9.2
171.07855	3.1
171.10257	2.6
171.11710	8.2
171.13747	5.4
171.14992	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	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
50.96381	0.8
53.03933	1.4
55.01867	1.6
55.05513	23.4
55.29431	0.8
56.96567	1.5
57.03438	5.5
57.07081	10.3
59.04992	2.2
67.05180	0.8
67.05511	11.6
69.03433	1.4
69.07070	100.0
70.07394	1.1
70.93581	1.6
70.93923	0.9
71.04997	6.8
71.08622	3.4
72.04520	10.1
73.06545	2.9
79.05496	10.0
81.07059	17.6
83.04983	6.3
83.08622	21.8
85.02895	1.6
85.06550	2.6
87.04462	1.0
87.08121	1.3
89.07150	7.6
91.05479	1.8
93.07049	24.6
94.80586	0.8
95.04978	1.2
95.08605	18.3
97.06533	25.7
99.08119	2.1
101.06008	1.6
102.67997	0.8
107.08595	23.4
109.10163	12.8
111.04423	1.9
111.08072	9.2
111.11730	9.8
113.09647	0.8
115.05534	1.0
115.07590	1.9
119.01864	1.9
125.13248	0.9
128.02322	0.9
128.06242	2.8
129.07027	1.3
135.11699	42.2
136.12033	1.8
137.02786	0.9
141.07021	1.7
143.08559	4.7
153.12752	22.9
156.09369	7.0
171.02934	1.3
171.08064	2.6
171.11725	9.7
171.13766	1.0
171.14922	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	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.00303	2.0
53.03940	3.6
55.01871	6.1
55.05515	30.7
56.05033	4.9
56.96573	12.1
57.03430	5.7
57.04560	4.0
57.07067	6.1
58.02970	2.2
58.06592	3.0
59.05000	8.4
59.06119	4.6
60.04519	5.0
64.59513	1.6
65.03935	2.1
67.05514	14.7
68.05041	2.6
68.99770	3.0
69.03423	7.0
69.04515	2.7
69.07072	26.7
70.02975	1.8
70.06599	8.7
70.94264	5.1
71.04995	71.0
71.41209	4.4
72.04520	41.9
72.08151	11.9
72.93792	9.2
73.02908	3.1
73.06559	19.5
74.06084	3.2
75.05596	2.4
79.05498	25.3
81.03428	3.3
81.04531	2.7
81.07059	100.0
82.06591	5.5
82.07412	2.2
83.04994	11.4
83.06106	6.0
83.08629	20.6
84.04498	5.3
84.08142	4.6
85.02917	3.4
85.04028	5.0
85.06557	15.5
85.07655	3.3
86.06062	2.8
86.56804	1.5
87.05602	3.1
88.95304	2.4
89.07162	31.1
89.96426	2.9
90.94846	4.6
91.05482	9.7
93.06467	3.3
93.07047	57.0
94.06599	2.6
94.07377	2.5
95.04949	4.1
95.06091	3.2
95.08611	10.5
95.32709	1.6
96.05608	3.7
97.02912	3.3
97.06538	16.3
97.07632	3.2
97.10140	3.5
98.06058	4.0
98.97592	5.4
99.05552	4.0
101.07124	2.3
105.07034	2.8
106.96375	1.9
107.08598	46.3
109.02889	3.4
109.06508	4.9
109.07673	1.9
109.10155	12.9
109.98992	1.7
110.01280	3.5
110.06142	1.9
111.04451	10.4
111.05576	4.1
111.08086	13.8
111.09200	10.2
112.03976	3.1
112.05067	2.6
112.07571	4.4
113.05935	2.4
113.07166	4.2
113.96436	2.3
114.06661	5.6
116.98569	4.2
117.04910	1.6
119.01823	5.0
121.52039	2.2
123.11713	31.9
124.14030	1.6
125.05995	7.7
125.07112	4.4
125.07942	4.1
125.09630	5.8
125.96090	2.2
126.05524	3.5
126.06554	2.6
126.09180	5.2
126.10133	2.0
127.08651	1.8
128.06242	5.6
128.11836	2.0
129.06961	2.3
129.97888	1.9
130.52644	2.3
131.97459	3.1
134.99649	5.4
135.04465	2.5
135.08029	4.5
135.11705	62.5
136.12061	1.9
137.02884	2.9
139.03893	4.9
141.06917	1.8
141.12744	64.8
143.08540	7.6
147.96936	16.6
148.53598	2.2
148.97534	8.5
153.05479	2.6
153.07751	1.9
153.09097	6.0
153.11497	4.1
153.12753	73.8
154.06088	2.3
154.08603	2.2
154.09758	5.5
154.13275	3.7
156.09357	14.2
157.01387	3.6
165.00629	2.0
165.97983	13.3
166.00226	2.6
170.98488	4.2
171.02887	4.4
171.04326	3.4
171.06581	3.5
171.08441	8.0
171.10042	4.3
171.11496	13.7
171.13771	8.2
171.14995	23.5
171.16280	2.6
172.07405	2.9
172.09729	3.7
172.10941	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	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03953	4.4
55.01872	15.0
55.05264	4.4
55.05512	61.9
56.05028	2.9
56.96562	9.6
57.03439	35.4
57.04543	2.5
57.07071	6.2
59.04995	9.3
59.06122	7.2
62.13530	2.0
62.18544	2.0
67.05507	36.6
69.03435	7.9
69.07075	56.0
70.06581	8.1
71.04996	69.9
71.06108	3.4
71.58837	3.3
72.04520	47.7
72.08150	10.6
72.93798	5.8
73.02913	2.5
73.06549	17.7
79.05492	28.6
81.03428	3.4
81.07060	100.0
82.07357	2.7
83.04986	21.4
83.06104	5.2
83.08624	54.0
84.04504	6.1
84.08104	2.2
85.02907	5.3
85.04065	2.6
85.06542	17.1
85.07687	3.6
87.04484	3.1
87.87383	2.5
89.07161	39.0
91.05479	9.6
91.51997	2.3
93.07044	50.0
94.07330	2.3
95.04972	9.8
95.08605	23.1
97.02910	5.1
97.06536	30.4
97.10165	9.1
98.97540	3.9
98.98472	5.1
99.04514	3.0
99.05538	2.8
99.08086	4.2
101.06042	2.8
105.07051	4.2
105.09619	2.4
107.08596	60.2
109.06513	7.4
109.07648	3.5
109.10156	77.4
110.01287	5.2
111.04456	14.2
111.05575	3.0
111.08094	20.2
111.09229	12.2
112.05113	2.8
113.07088	3.2
115.05453	3.7
116.98675	2.8
119.01807	6.5
123.11716	45.2
125.05972	5.8
125.09628	10.3
126.05556	4.7
126.06665	2.6
127.11175	14.9
128.02330	7.9
128.06219	10.8
129.06967	4.7
135.11694	60.6
137.02855	3.2
139.03920	9.8
139.53113	4.0
141.06982	4.1
141.12753	59.1
142.07719	3.3
143.08562	16.3
147.96904	5.3
153.05490	4.2
153.09204	12.3
153.11517	4.8
153.12750	68.8
154.06195	2.6
154.09737	4.5
156.09364	30.8
161.58209	2.2
165.98039	2.9
171.02957	4.5
171.05516	6.1
171.08046	7.3
171.10115	5.5
171.11708	33.9
171.13771	11.0
171.14996	41.0
172.07507	3.9
172.10985	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	171.1379
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.03924	1.5
55.01880	1.3
55.05507	14.0
56.07763	0.9
56.96560	3.0
57.03437	2.2
57.07076	9.0
59.04988	3.3
65.03925	1.0
67.05505	10.4
67.12730	1.1
68.99801	1.4
69.03424	1.9
69.07068	100.0
70.07389	1.4
70.65742	3.0
70.66093	1.7
71.04988	7.7
72.04510	9.0
73.02924	2.1
73.06557	2.0
79.05502	5.1
81.03397	1.4
81.07058	32.7
83.04982	1.3
83.08617	22.3
85.02901	2.5
85.06541	2.2
89.07165	8.6
91.05463	2.5
93.07043	26.5
95.04982	1.5
95.08611	17.1
97.06527	15.8
97.10184	1.7
98.97598	1.5
101.06024	1.3
104.01300	1.3
105.07027	1.9
107.08594	23.7
109.06589	1.3
109.10158	34.6
110.01288	2.1
111.04434	2.0
111.08093	4.0
111.09219	1.1
115.81745	1.3
116.98656	1.8
119.01797	3.0
119.08559	1.4
121.52121	1.4
123.11691	5.9
125.06058	1.4
125.09679	1.4
127.03873	1.5
128.02318	4.8
128.06212	2.1
135.11684	26.0
137.02821	2.2
139.03862	1.7
139.53136	3.4
141.06947	1.3
141.12778	5.6
142.07680	0.9
143.08537	5.9
148.53624	1.7
153.12738	21.9
154.13110	1.1
154.91798	1.0
156.09332	6.2
171.05531	1.6
171.08017	2.9
171.11681	10.5
171.13766	2.5
171.14981	7.0
172.09778	1.3
178.04584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1379
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.64333	5.6
55.01852	8.0
55.05513	61.9
56.96546	18.1
57.03428	15.4
57.07075	8.0
58.69040	5.7
59.04976	18.5
63.55756	5.6
63.82281	5.5
65.01208	5.9
65.03923	7.1
67.05486	34.2
69.03436	7.6
69.07063	100.0
69.77020	39.6
70.06570	7.0
71.04990	41.3
72.04518	80.7
72.08128	7.6
73.02880	7.5
73.06532	6.9
79.05495	37.1
79.77262	6.2
81.03393	7.0
81.07050	99.4
83.04516	6.4
83.04980	17.1
83.08606	51.8
84.04499	16.1
85.02901	14.4
85.06522	12.0
85.07642	5.8
86.06020	4.6
87.04465	10.3
89.07156	73.4
91.05469	14.7
93.07044	83.9
95.04944	8.3
95.08603	64.3
96.01582	7.1
97.06536	49.4
98.97572	9.9
99.04465	6.6
107.08602	86.1
109.02875	9.7
109.06545	5.9
109.10157	60.6
110.01277	13.1
111.04421	30.5
111.08076	18.6
111.09184	11.9
115.05432	6.9
116.77171	5.4
116.98602	12.9
119.01795	18.9
123.11693	35.7
125.05972	14.0
125.07050	7.7
125.09624	8.7
127.03928	8.5
128.02303	32.4
128.06215	41.1
129.06982	18.3
130.52557	16.1
134.99678	6.4
135.11678	74.3
136.02766	9.2
137.02797	19.2
139.03877	16.4
139.53079	21.0
141.07027	8.9
141.12756	19.5
143.08563	47.6
148.53577	7.3
153.05415	9.1
153.09100	7.6
153.12741	52.0
156.09378	46.7
171.02864	8.4
171.05484	14.0
171.07953	33.0
171.11613	56.8
171.13777	8.5
171.14940	68.5
186.74339	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	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
55.05527	1.9
56.96571	0.7
64.20597	0.3
66.93856	0.3
67.05489	0.4
69.07073	0.8
71.59218	0.5
72.04520	5.7
73.02888	0.4
79.05502	1.0
81.07070	0.5
82.75841	0.3
83.04988	0.6
83.08636	1.4
84.04531	0.3
85.02904	0.6
85.36022	0.3
88.16402	0.3
89.07163	4.9
91.05495	0.6
93.07069	0.6
105.07011	1.7
107.08589	0.5
111.04448	0.5
115.05474	0.8
119.01804	0.5
125.09662	0.3
128.02353	1.1
128.06229	8.3
129.07039	7.6
130.07802	3.8
130.52650	0.5
131.08675	0.4
135.22343	0.4
139.53209	0.4
141.06996	8.6
142.07800	5.6
143.08568	30.8
144.08923	0.6
145.06511	0.6
148.53677	0.7
153.06992	0.5
154.04955	0.3
155.06056	0.5
155.08551	3.2
156.09358	55.5
157.09709	1.4
169.10133	1.1
171.08208	3.6
171.11700	100.0
172.12090	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	171.1379
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.03956	1.4
55.01891	0.6
55.05513	13.1
56.96561	0.8
57.03436	1.4
57.07075	9.6
57.22310	0.6
59.04997	3.3
61.02924	0.9
65.03955	0.7
67.05505	10.2
68.99799	0.7
69.03438	1.8
69.07066	100.0
69.85573	4.2
70.07390	1.2
71.04992	4.3
72.04522	4.1
73.06573	0.8
77.66550	0.7
79.05484	4.8
81.07054	26.4
82.69037	0.7
83.04983	1.8
83.08617	21.3
84.04471	0.9
85.02903	1.7
85.06551	1.0
87.04469	0.7
89.07166	2.7
91.05487	3.1
93.07040	25.8
93.07631	1.4
94.07367	1.0
95.08603	21.4
97.06519	10.8
97.10144	1.2
101.06035	1.4
105.07005	1.5
107.08587	25.5
109.06550	1.0
109.10152	34.8
111.04456	1.1
111.08096	3.0
111.11726	1.9
115.07565	1.1
119.08569	0.8
123.11699	5.4
125.13296	1.4
128.02364	0.8
128.06239	1.9
135.11685	27.8
136.12018	0.8
137.02922	0.7
139.03882	1.0
141.06979	1.0
141.12755	1.2
143.08560	2.2
153.12733	14.8
156.09369	2.2
171.07997	1.4
171.11659	3.7
171.13712	5.1
171.14963	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	171.0764
Annotation	N-Nitrosoguvacoline
Peak:m/z	Relative Intensity
55.01876	1.1
55.05510	1.1
56.05040	0.8
56.96553	1.9
57.03440	1.1
68.05022	0.6
69.03424	0.7
69.07065	0.4
70.06596	0.8
70.94717	0.6
71.04990	0.3
72.04511	2.1
72.08157	1.5
73.02921	1.1
79.05522	0.5
81.03430	1.2
81.04527	0.6
83.04966	0.5
83.08626	0.8
84.04530	0.5
84.08160	0.4
85.02899	0.9
89.07153	1.7
93.07007	0.4
95.06093	4.3
96.01561	0.5
96.06873	45.6
97.02905	0.4
97.06602	0.5
97.07169	0.4
97.07671	5.1
98.97579	1.1
100.07620	0.9
109.02889	0.4
110.01279	1.5
110.07253	0.3
111.04418	0.9
111.05576	0.3
115.03944	0.4
116.98617	0.9
119.01823	2.6
121.52123	0.6
122.53641	0.3
125.07114	45.2
126.05515	0.5
126.07479	0.9
126.09153	1.2
126.10036	0.3
127.03887	0.3
128.02313	1.8
128.07050	2.0
128.98613	0.6
130.52605	1.0
134.99658	0.6
137.02841	1.2
139.00250	1.6
139.03923	0.8
139.53102	0.8
145.01205	0.3
146.99622	0.6
153.06639	1.2
156.09363	0.6
157.01335	2.9
158.01250	0.4
171.07646	100.0
171.14928	2.0
172.08011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(E)-2,4-Ochtodiene-1,6-diol
Peak:m/z	Relative Intensity
53.03928	3.9
55.01857	5.3
55.05507	12.9
56.96554	5.3
57.03437	2.9
57.07062	3.6
59.05000	58.6
59.06120	2.2
65.03926	3.9
67.05171	1.6
67.05503	25.4
68.05032	1.5
68.99790	2.7
69.03427	5.7
69.07061	10.1
70.06574	1.5
70.27636	2.9
70.28036	2.7
71.04992	20.0
79.05496	23.1
81.03423	9.4
81.07056	100.0
82.07405	2.0
83.04977	8.7
83.06088	1.5
83.08595	4.7
85.06542	9.4
85.07653	1.9
87.03991	1.4
87.04472	14.3
89.06013	4.2
91.05486	12.5
93.07040	45.1
94.07368	1.4
95.04963	10.1
95.08604	18.9
97.02924	1.6
97.06506	5.2
99.04430	2.8
105.05556	1.4
105.07033	34.4
105.73841	1.2
107.08596	21.8
108.08966	1.4
109.02887	18.0
109.06515	18.6
109.07604	2.2
109.10153	45.2
110.06005	1.2
110.07109	2.6
110.10464	1.4
111.00787	13.3
111.03791	1.6
111.04467	8.7
111.05544	1.7
111.08069	11.8
111.09204	6.9
113.06007	2.3
121.10140	7.2
123.04410	3.8
123.08075	9.2
123.11705	37.7
124.04649	2.1
124.07574	2.5
124.08587	1.5
124.12014	1.2
125.05946	1.5
125.09624	2.4
126.03133	22.9
127.03867	2.8
127.07524	1.7
127.11153	2.8
128.95157	2.2
133.10136	23.4
137.02336	1.6
141.05466	62.7
141.07033	2.5
142.05785	1.7
142.08603	3.0
151.03882	2.1
151.11177	55.0
152.07065	2.4
152.08147	1.7
152.11661	1.5
158.22466	1.1
169.04961	32.2
169.07420	3.0
169.08789	1.9
169.10075	3.6
169.12250	15.2
170.08089	3.8
170.09460	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0814
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
51.75135	0.8
51.89106	0.7
53.03946	1.2
54.03460	0.7
55.01867	4.4
55.05517	4.1
55.93522	2.1
56.05032	3.7
56.96571	32.1
57.03435	1.8
57.07082	1.1
58.06598	3.2
59.06113	2.3
60.04520	2.9
60.95854	2.0
61.02910	1.0
65.03959	0.9
67.05498	3.0
68.05042	4.5
68.05359	0.7
68.99798	5.7
69.03419	4.2
69.07069	3.0
70.06598	6.5
70.94261	0.8
70.98116	3.7
71.01364	1.4
71.05006	1.4
71.06947	0.9
71.07384	0.9
71.57922	1.4
71.95247	1.1
72.04517	4.3
72.08147	4.5
72.93791	2.9
73.02921	1.3
74.06089	1.5
74.97612	2.2
76.04027	0.8
77.14306	0.8
79.05501	3.0
80.05038	1.5
81.03407	1.7
81.04533	1.7
81.05790	0.8
81.07059	3.6
82.06577	3.7
83.01371	0.9
83.04962	3.1
83.06114	5.7
83.08624	1.9
84.01552	1.0
84.04516	3.3
84.08138	2.4
84.96030	1.9
85.02912	2.4
85.04024	1.3
85.06509	0.9
85.07661	2.4
86.06075	4.8
86.09716	1.4
87.04424	0.9
88.07630	1.6
88.96906	1.9
88.99162	3.6
89.07185	1.7
90.94841	1.0
91.00533	1.2
91.05488	0.9
92.04998	2.9
93.05775	3.5
93.07050	1.2
94.06572	2.3
95.04992	1.8
95.06088	3.2
96.04487	2.0
96.06883	4.6
96.08147	4.4
97.02886	3.3
97.03980	0.8
97.06548	2.0
97.07655	4.1
98.01294	1.4
98.06045	2.8
98.07147	0.9
98.97631	1.8
99.04452	1.0
99.05583	2.9
99.06829	0.8
99.09229	1.0
100.02479	1.2
100.03915	1.1
100.07617	1.7
102.05598	0.9
105.00364	0.9
106.01035	2.4
106.06589	1.4
107.00190	1.3
107.04948	2.1
107.08605	2.2
109.00381	0.9
109.01394	0.9
109.02879	1.1
109.06502	1.3
109.07658	5.4
109.10190	0.9
110.06049	5.2
110.07188	5.4
110.97589	0.9
111.00209	1.6
111.04449	3.0
111.05576	3.6
111.08091	1.3
111.09206	5.0
111.54057	0.9
112.04758	0.9
112.07622	2.9
112.09512	1.1
113.07121	1.9
114.00771	0.9
114.05547	2.6
116.00229	1.5
116.98615	3.5
117.95857	0.8
118.01053	4.9
118.01849	1.0
119.01888	3.6
120.00729	1.7
121.03559	0.9
122.07153	1.0
123.01215	2.8
123.03058	1.2
124.07586	11.4
124.08695	3.2
124.11223	1.5
124.54832	1.0
125.03503	1.0
125.04604	1.0
125.06013	1.9
125.07095	5.1
125.09738	0.9
125.10756	1.3
126.00755	0.9
126.05535	1.2
126.10222	1.4
126.17153	0.8
127.01550	26.0
127.02489	1.6
127.08698	3.1
127.51691	1.2
128.07088	1.7
128.08229	1.4
128.95097	5.6
128.98650	4.4
129.01904	6.0
129.06628	1.0
130.02048	0.9
133.01535	2.6
134.01241	1.0
134.06024	52.3
134.99673	2.4
135.01312	1.2
135.05502	1.1
135.93694	0.9
136.02087	4.7
138.52339	5.3
139.00284	2.7
139.03853	1.5
140.08141	1.5
141.96980	1.6
142.02039	1.8
142.05832	3.8
142.08656	6.3
142.12234	1.1
144.52332	1.2
145.03494	0.9
146.96161	8.7
146.97281	1.3
146.99672	9.4
147.01407	1.5
147.03024	1.3
147.52852	1.0
147.96913	3.2
152.07085	100.0
153.01816	1.3
153.07460	2.7
153.10220	3.0
153.47794	1.1
155.51529	0.9
156.01767	1.1
157.01324	6.4
158.99704	0.8
161.01221	1.1
161.02875	0.9
165.00751	2.9
165.02437	1.0
165.97986	2.9
166.00099	1.1
169.99081	0.9
170.02985	2.3
170.05341	2.9
170.08127	26.8
170.09540	12.8
170.11571	4.5
170.12979	3.8
170.98480	1.1
171.02882	1.6
171.07809	2.3
171.11502	1.0
171.14914	1.2
173.01241	1.4
177.00684	0.9
177.04355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03939	3.7
55.01865	5.0
55.05508	8.6
57.07066	4.3
59.05000	40.8
59.06112	1.1
65.03954	1.9
67.05502	23.6
69.03428	3.6
69.07069	5.7
70.54472	1.1
71.04990	14.3
71.58361	2.3
79.05050	2.3
79.05487	24.4
81.03400	2.9
81.07056	100.0
82.07401	2.4
83.04984	5.8
83.08599	3.1
85.06535	3.2
87.04460	3.1
91.05499	8.3
93.07046	22.9
95.04973	8.4
95.08604	12.9
97.06524	5.4
99.04443	1.4
99.08063	1.4
99.60124	1.1
105.07034	12.7
107.08592	21.7
109.02888	6.8
109.06523	12.2
109.10155	58.1
110.10532	1.3
111.00792	3.8
111.04468	1.5
111.08071	7.5
111.09206	2.7
120.31965	1.1
121.10123	2.8
123.08076	6.2
123.11712	33.2
125.09600	1.5
126.03099	7.0
133.10138	18.6
134.04907	1.3
134.10378	1.4
139.11230	1.7
140.56967	1.1
141.05466	20.0
151.11171	24.9
169.04964	10.0
169.07550	2.3
169.10072	1.5
169.12238	11.4
170.08066	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03942	4.3
55.01872	2.5
55.05508	17.5
55.80139	2.1
56.05019	2.1
57.03439	4.8
57.07073	15.2
59.05002	46.5
59.06117	4.7
61.38125	2.5
65.03943	5.3
67.05509	36.9
68.05022	2.2
68.99798	3.6
69.03433	7.9
69.07072	15.0
69.52543	18.7
69.52928	4.3
70.06589	3.1
71.04993	31.5
71.08629	12.1
79.05487	26.7
81.03410	10.6
81.06576	4.7
81.07057	94.7
82.07371	2.0
83.04974	9.0
83.08606	7.0
85.02900	5.0
85.06522	10.7
86.08473	2.7
87.04465	7.4
89.06046	3.6
91.05469	15.4
91.79590	2.5
93.03414	2.6
93.07049	47.6
95.04972	12.3
95.08626	16.4
97.06523	7.6
98.21522	2.3
99.08081	8.9
105.07030	37.1
107.08598	21.5
109.02875	25.1
109.06504	18.0
109.10157	100.0
110.07137	2.4
110.10484	2.4
111.00795	13.2
111.04453	9.2
111.08083	86.4
111.09211	7.4
113.04212	4.8
113.05978	2.9
113.10215	2.1
121.10140	7.3
123.04418	4.4
123.08058	7.9
123.11712	30.3
124.07550	2.4
125.09704	3.1
126.03126	25.4
127.03914	3.5
127.11190	79.5
133.10126	18.2
141.05475	70.7
141.07030	5.1
141.12762	23.4
142.05827	2.6
142.08685	2.6
151.11188	33.0
152.08173	3.2
154.02539	3.3
154.07866	3.5
159.65012	2.3
169.04985	38.8
169.07553	6.5
169.10059	5.2
169.12227	23.6
170.08073	2.8
170.09683	2.9
183.51590	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
50.88584	1.5
53.03954	3.0
55.01875	2.1
55.05513	21.6
56.24060	2.2
57.07068	7.5
59.04993	8.5
64.67924	1.8
65.03947	2.0
67.05504	25.9
68.66013	1.8
69.03435	4.6
69.07066	11.3
69.09663	1.9
69.65190	6.5
69.65614	7.1
71.04995	44.0
71.05370	1.6
72.11405	1.8
79.05491	17.0
81.03407	7.1
81.07060	100.0
83.04969	15.9
83.08630	4.0
85.06541	8.1
91.05493	5.1
93.07038	13.7
95.04955	9.6
95.08623	15.4
97.06522	7.5
98.03674	2.2
99.04429	2.6
99.08102	4.3
105.07027	6.9
107.08604	27.7
109.02879	11.9
109.06524	13.0
109.10162	37.1
111.00817	12.3
111.04429	3.7
111.08081	8.6
111.09224	4.1
113.06013	3.1
121.10171	3.0
123.08076	6.5
123.11711	57.6
125.09650	3.7
126.03147	16.9
127.07570	2.2
133.10147	9.6
139.11191	10.9
141.05467	48.2
151.11205	23.4
152.11690	1.9
155.03349	3.0
169.04980	22.0
169.07539	2.6
169.12204	14.9
179.15337	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol
Peak:m/z	Relative Intensity
53.03935	3.6
55.05502	6.3
56.38069	1.0
57.03429	3.2
57.07072	2.8
59.05005	76.7
65.03928	2.3
67.05170	1.4
67.05505	17.9
69.03419	3.7
69.07066	5.3
70.19798	5.1
71.04997	16.7
73.34373	1.0
79.05499	20.0
81.03420	3.1
81.07059	100.0
83.04974	3.5
83.08619	3.6
85.06526	3.8
85.13940	1.2
87.04472	20.6
89.06043	5.7
91.05486	16.1
93.07046	56.6
94.07353	1.2
95.04987	7.1
95.08605	10.1
97.06534	2.8
105.05532	1.3
105.07034	41.5
106.07383	1.2
107.08601	17.0
109.02887	6.0
109.06532	16.1
109.10162	22.5
111.00832	1.8
111.04443	2.6
111.08097	6.5
111.09207	2.1
121.10146	9.8
123.04408	1.2
123.08058	4.3
123.11713	18.7
126.03127	5.8
127.03937	1.7
133.10132	15.5
139.11174	1.8
141.05460	15.4
149.88295	1.1
150.03702	1.1
151.11194	28.3
152.04382	1.1
169.04999	8.2
169.07590	2.5
169.12219	6.5
170.05547	1.2
189.70850	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.00303	2.1
53.03945	2.1
55.01868	2.7
55.05516	13.5
56.05014	1.3
56.96558	5.3
57.03428	3.5
57.07067	6.4
59.04995	6.5
59.06121	2.2
61.02911	1.4
61.95626	1.4
63.99611	1.5
65.03933	4.6
67.05511	26.5
68.99787	3.3
69.03429	5.7
69.07075	12.0
70.06578	2.7
70.09213	8.0
71.04997	45.3
71.08642	2.1
72.08154	3.5
73.02919	2.1
79.05508	16.7
81.03434	10.9
81.07061	100.0
82.07358	2.2
83.04989	10.5
83.08617	4.0
84.08136	2.5
85.02904	2.1
85.06528	6.3
85.07674	1.8
89.06035	2.3
91.04916	1.5
91.05491	5.1
93.07038	13.5
95.04995	9.2
95.08617	16.2
97.06561	8.8
97.07616	1.7
98.03680	2.4
98.07124	1.6
99.04448	2.4
99.08080	4.3
105.07046	10.1
107.08593	24.4
109.02892	23.6
109.06513	14.3
109.07619	3.1
109.10164	42.4
110.07151	2.9
111.00816	13.6
111.04485	7.6
111.08111	11.7
111.09212	9.4
113.05988	2.2
120.40144	1.8
121.10155	4.5
123.04417	2.7
123.08062	6.7
123.11716	61.3
124.01553	1.6
124.04667	2.7
124.07583	1.6
124.08757	1.7
124.12067	2.3
125.06003	2.1
125.09644	3.7
126.03139	27.2
126.10165	1.6
127.03919	2.1
133.10161	11.3
139.11176	6.4
141.05473	80.6
141.52260	1.4
142.05742	2.9
146.96075	2.1
151.03880	4.5
151.11188	28.4
152.08150	1.4
152.11647	1.5
154.02640	3.2
154.54385	1.5
169.04980	43.0
169.07555	17.0
169.10944	2.8
169.12241	15.8
169.14484	1.6
170.08095	3.1
170.09416	1.7
170.12669	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03945	0.3
55.01870	0.9
55.05521	1.8
57.03440	0.5
58.83497	0.3
59.05002	0.7
59.06152	0.5
67.05499	2.0
68.99776	2.1
69.03436	0.8
69.07060	1.2
70.01421	1.5
71.04995	2.3
77.48279	0.4
79.05507	0.9
81.03394	0.8
81.07059	7.9
83.04987	1.0
85.02922	0.7
85.06551	0.9
85.07645	0.4
91.05465	0.5
93.07059	1.6
95.04964	1.3
95.08611	1.5
97.02913	0.7
97.06534	1.0
98.03667	2.2
99.04500	0.4
100.18079	0.4
105.07037	1.2
107.08586	1.9
109.02879	2.3
109.06523	2.0
109.10160	3.6
111.00804	20.5
111.04455	0.6
111.08081	0.9
111.09207	1.2
112.01115	0.5
113.05949	0.6
121.10154	0.6
123.04378	0.4
123.08080	0.7
123.11712	4.2
125.02346	0.6
125.06088	0.4
125.09608	0.4
126.03139	28.7
127.03493	0.5
133.10092	0.6
139.11111	0.4
141.05466	100.0
142.05792	2.8
146.96075	0.3
151.11183	2.4
169.04967	61.0
169.12241	1.5
169.17868	0.9
170.05298	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03943	0.3
55.01868	0.5
55.05506	0.6
56.96561	0.3
67.05485	0.3
67.46041	0.3
68.99782	2.2
69.07073	0.4
70.06594	0.3
70.38822	0.6
70.39215	0.8
71.04961	0.3
81.03394	0.8
81.07056	0.9
83.06099	0.3
84.08109	0.4
85.02916	0.5
85.06546	0.4
89.82130	0.3
93.03374	0.3
93.07027	0.6
95.04969	0.4
95.08653	0.3
97.02890	0.7
98.03670	2.7
99.04437	0.5
102.03323	0.4
107.08604	0.5
109.02882	2.3
109.06463	0.6
109.07648	0.5
109.10176	0.5
111.00803	18.9
111.04462	0.4
111.09209	0.9
113.06001	0.4
123.04411	0.4
123.08090	0.5
123.11707	0.4
125.02380	0.5
126.03135	25.2
127.03545	0.3
141.05461	100.0
142.05815	1.8
151.11200	0.5
156.31538	0.3
168.83749	0.3
169.04964	65.7
170.05310	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
53.03939	1.1
55.01872	0.8
55.05509	4.8
56.26442	0.6
56.96555	1.0
57.03440	1.3
57.07071	1.9
59.05001	2.8
59.06125	1.1
60.59238	0.5
65.03942	1.6
67.05504	16.7
68.05020	0.7
68.05840	0.5
68.99792	1.7
69.03429	8.5
69.07067	16.4
70.06590	1.1
71.01362	0.7
71.04990	15.6
71.21947	1.0
72.08147	0.9
79.05493	3.8
81.03406	1.5
81.07056	22.1
83.04981	1.9
83.08605	1.4
84.08152	0.9
85.02896	0.7
85.06551	8.4
91.05478	3.4
93.07057	5.8
94.06584	0.8
95.04970	22.1
95.07997	0.5
95.08605	13.9
97.06549	3.3
97.10159	0.6
98.97586	0.9
99.04448	10.7
105.07047	4.3
107.04962	1.1
107.07864	1.0
107.08593	20.2
108.08980	0.7
109.02879	4.1
109.06519	31.1
109.10155	100.0
110.07197	0.7
110.10493	2.3
111.00804	8.4
111.03777	0.6
111.04475	1.5
111.08058	1.7
111.09192	3.6
113.05984	5.1
121.06553	0.7
121.10161	1.3
123.04398	0.9
123.08064	10.4
123.11707	19.6
125.09631	15.7
126.03134	11.7
127.07652	0.6
128.07132	0.6
133.05064	0.7
133.10118	6.9
141.05461	40.5
142.05788	1.2
151.11186	15.3
152.08180	0.6
152.11610	0.8
154.02724	0.8
169.04958	21.4
169.09825	0.7
169.10867	1.0
169.12219	12.2
169.14445	0.9
170.09407	0.6
175.77136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
56.96577	3.5
56.96799	0.6
58.72545	0.6
58.99864	0.7
65.03940	0.7
67.05512	0.9
67.92497	1.9
68.05018	1.3
69.87326	1.5
69.87743	2.0
70.06584	1.0
71.78452	0.6
78.98917	0.5
79.05480	1.3
81.03413	1.2
81.07032	0.8
82.01467	0.8
82.94833	3.5
83.04955	0.6
83.06091	0.8
84.08149	1.1
84.99604	1.4
85.99963	0.7
86.00931	0.8
91.05474	0.7
93.03410	0.6
97.07684	0.7
98.21447	0.7
99.04452	0.7
100.02489	4.2
102.02229	2.9
102.04053	0.8
103.00634	11.8
103.01279	0.6
103.02486	1.3
104.00924	4.8
104.01961	1.6
104.02559	0.6
105.00340	0.7
105.07059	1.0
107.08589	0.6
109.02895	3.3
109.07647	1.7
111.04496	0.9
111.09174	1.3
112.56599	0.6
115.02430	1.8
117.02170	0.8
118.03519	4.6
119.01920	7.6
120.02013	2.4
120.03274	2.1
121.01669	100.0
121.99389	3.4
122.01965	38.6
123.02122	3.0
123.11720	0.7
123.97410	2.8
124.04626	1.1
126.02222	1.6
126.03077	1.0
126.05498	1.3
126.93765	1.5
127.02531	2.3
128.01889	1.1
131.01947	0.7
132.02013	0.7
133.01657	0.6
133.03470	1.8
133.05080	0.8
137.02974	3.1
138.03062	1.6
139.02696	46.3
140.00417	3.6
140.03015	20.7
141.03145	1.4
141.05501	3.3
142.03484	2.0
143.03629	0.8
144.03236	38.4
144.94861	1.4
145.01047	5.9
145.03587	73.0
145.58376	0.8
145.86649	0.7
146.02985	3.2
146.03911	1.2
149.02950	0.7
156.04962	1.0
156.57651	0.6
161.04800	0.7
162.04291	18.0
162.95908	2.8
163.01871	4.3
163.04669	30.3
164.03954	1.2
167.04839	2.0
167.96445	0.9
168.05165	6.3
168.11316	1.8
169.04852	2.7
179.26575	0.7
185.97484	1.0
186.06146	1.8
187.05692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.1
54.03480	4.2
55.01868	6.2
55.05504	11.1
56.05040	14.4
56.96567	100.0
57.03442	13.8
57.94471	2.2
58.06597	9.4
59.06126	7.0
60.04517	4.7
60.40390	2.4
60.95845	4.6
61.02936	11.7
61.04077	2.1
65.03933	8.0
67.05503	13.7
67.92503	4.1
67.93565	3.5
68.05029	16.0
69.03077	3.7
69.03432	38.3
69.04552	5.9
69.07077	13.0
70.02917	2.8
70.06594	17.1
71.04990	8.0
71.57814	3.0
72.04508	5.3
72.08142	8.0
73.02906	9.7
73.06557	7.7
74.97594	4.7
79.05499	7.3
80.05011	7.9
81.03417	29.7
81.04533	6.5
81.07058	14.2
82.06563	12.6
82.94829	3.6
83.04967	8.6
83.06105	10.8
84.04507	17.9
84.08144	8.4
84.93826	2.7
84.96016	9.1
85.02899	33.7
85.07669	7.2
86.06067	11.0
87.04462	4.1
89.06044	15.5
93.07043	5.7
94.06578	26.0
94.07162	3.2
95.04950	8.6
95.06098	11.4
95.08605	5.8
96.04484	5.0
96.06896	3.5
96.08125	5.7
97.02891	32.8
97.06500	7.4
97.07648	19.9
97.99167	4.2
98.03712	3.6
98.06050	16.9
98.97598	13.3
99.04433	13.4
99.05550	5.0
100.99103	2.8
102.03378	2.7
102.94859	4.2
103.00554	2.8
103.95652	3.1
105.02064	4.8
105.07024	3.7
106.01028	2.8
106.06548	6.0
107.04940	3.2
107.08592	4.8
108.04478	8.5
108.08148	5.4
108.08896	3.2
109.02882	51.8
109.04009	3.3
109.06544	5.5
109.06918	2.8
109.07636	41.2
109.10170	4.2
110.01286	7.2
110.06048	17.1
110.07222	2.9
110.08472	5.7
110.97489	2.2
111.00821	12.0
111.04466	19.5
111.05577	6.5
111.09242	19.1
112.07604	7.6
113.07127	2.8
115.04117	3.3
116.98622	17.0
118.02877	4.3
118.94259	2.8
119.00185	4.3
119.01816	15.1
121.01676	6.9
121.07664	3.0
122.06024	22.8
123.02091	3.3
123.04434	20.2
123.05537	5.1
123.08099	6.2
123.09190	12.1
123.11693	2.5
123.97446	5.5
124.03826	3.2
124.04664	8.0
124.07607	10.9
124.08698	3.6
125.04597	4.8
125.06063	5.7
125.07111	11.0
125.96498	3.5
126.00790	2.6
126.03167	15.3
126.05499	22.1
126.06561	5.3
126.10246	9.8
127.00648	3.2
127.03941	18.1
127.04781	2.9
127.08654	7.6
128.02324	26.3
128.07039	5.5
128.09462	4.9
128.98573	6.6
129.61885	2.7
131.00189	3.7
133.05191	5.9
133.07640	4.1
134.99644	13.0
138.10260	6.1
139.02673	4.7
139.53127	3.1
140.03363	4.8
140.05696	3.4
140.07076	11.3
140.95105	5.4
141.05475	56.8
141.06540	4.5
141.10185	4.0
144.03285	3.7
144.95866	6.4
144.98169	4.7
145.01752	13.5
145.03580	7.3
146.99634	9.0
147.03284	10.7
149.01208	4.3
150.00694	3.3
150.05508	82.4
150.06665	6.1
150.09102	2.8
150.10249	9.6
151.03902	6.5
151.06090	3.4
151.08655	43.1
151.09676	3.3
152.07097	5.9
152.08203	3.7
154.03882	5.8
156.03360	17.9
158.99629	3.4
161.01225	5.8
162.95871	4.3
162.97083	3.9
162.99174	8.3
163.02806	41.3
163.04420	7.9
163.97694	3.3
165.00679	5.4
168.02882	4.7
168.06488	48.0
168.07605	5.8
168.10188	6.3
168.11377	38.8
168.13737	4.1
169.04979	30.7
169.09702	11.4
173.97418	2.5
174.04390	64.3
177.00728	6.4
177.04196	10.1
181.03905	14.5
181.98805	5.0
186.04416	19.3
188.54930	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	167.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11879	0.9
54.03482	0.8
55.05518	8.3
56.05043	5.6
57.04582	0.9
57.07082	1.3
58.06604	2.4
59.06132	8.8
68.05033	3.9
68.77847	0.7
69.04549	1.5
69.07073	13.5
70.06595	5.6
71.06129	0.9
71.08642	1.6
71.59050	1.1
72.08162	1.3
81.04550	1.4
81.07059	0.8
82.06592	3.7
83.06105	6.5
83.08611	4.7
84.05647	3.2
84.08152	5.1
85.04050	2.2
85.07675	6.9
93.07067	1.5
95.06078	1.4
97.07678	5.5
97.10180	7.0
98.06065	2.0
98.07178	4.0
98.09731	0.7
99.05557	1.4
99.09212	1.6
107.06087	1.4
107.08624	1.3
108.05605	1.7
108.08174	1.0
109.07655	21.0
110.06022	1.4
110.07185	4.0
110.08447	5.2
111.08052	1.5
111.09218	8.2
111.11702	2.3
112.08757	5.3
121.06480	1.1
121.10149	1.5
122.07147	2.0
123.09197	2.0
124.08740	7.7
125.07219	4.7
125.08248	100.0
125.10751	2.6
126.06652	4.9
126.07780	1.3
126.08582	3.7
126.10296	8.6
127.10963	1.0
135.91003	0.7
136.08707	1.0
138.10283	2.3
139.09778	1.3
140.11833	1.8
150.05528	0.8
150.06607	1.9
150.10280	29.0
151.10669	1.0
154.66943	0.8
167.07028	1.8
167.09286	17.0
167.10550	1.3
167.12935	37.3
168.11310	1.7
168.14981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.25909	0.9
53.00290	1.0
53.03947	4.1
55.01860	2.7
55.05512	33.1
56.05026	2.5
57.03426	3.3
57.07071	7.1
59.05005	6.2
59.06109	3.7
64.87102	0.9
65.03938	2.9
66.04716	0.9
66.94344	0.7
67.05507	12.9
67.93566	1.0
68.05020	3.3
69.03130	1.1
69.03430	10.6
69.06725	1.3
69.07074	19.1
70.06578	2.5
70.36888	2.0
70.37297	2.5
71.05000	5.4
71.08633	1.5
72.08144	1.5
73.06544	1.1
78.04333	0.8
78.04720	9.3
79.05064	1.4
79.05493	20.4
80.06253	0.9
81.03400	2.7
81.07061	35.1
82.06587	4.2
83.04984	42.4
83.06084	3.3
83.08147	1.2
83.08620	19.5
84.08128	2.1
85.06565	4.9
85.07668	2.7
91.05481	9.1
93.03414	2.5
93.06469	1.6
93.07047	27.5
94.06587	1.5
94.07327	0.9
95.04959	7.5
95.06071	1.9
95.08601	11.6
97.02896	2.0
97.06541	7.6
97.07647	2.4
97.10180	4.3
98.06054	1.2
98.09683	1.4
98.21412	1.0
99.04444	1.1
99.08108	1.9
105.07015	6.6
105.84673	1.1
106.04182	3.2
107.04952	6.1
107.06083	1.0
107.08601	34.0
108.05349	0.9
109.02880	2.1
109.06528	8.9
109.07640	9.0
109.10153	15.6
110.07157	1.6
110.08407	2.3
110.10552	0.9
111.04454	4.2
111.08084	18.2
111.09222	5.0
112.08830	2.7
116.06244	1.1
119.03603	0.8
119.04896	0.9
119.08595	1.8
121.01682	6.9
121.02881	2.6
121.04755	1.0
121.06525	7.8
121.08459	1.7
121.10146	30.8
122.07167	3.3
123.04429	20.9
123.05374	1.7
123.08063	6.1
123.09173	2.0
123.11708	6.2
124.05227	7.5
124.08698	3.3
125.05988	4.6
125.08222	1.0
125.09645	12.3
126.05515	1.4
127.07500	1.2
131.08536	2.8
133.07646	1.5
134.03636	1.1
139.02701	3.0
139.03902	1.1
139.07536	1.9
139.11174	4.9
140.07053	1.3
140.10745	1.1
144.03284	3.9
147.04437	1.1
149.02306	3.1
149.04932	3.4
149.06001	1.4
149.09616	11.5
149.13268	9.5
150.05473	1.2
150.06602	1.3
150.10257	10.4
151.03929	4.5
152.04678	5.2
162.04317	3.4
167.03403	2.7
167.07050	100.0
167.10670	16.3
167.12991	2.9
167.14310	43.2
167.15785	1.3
168.07454	3.2
168.11339	1.5
168.14702	1.6
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
53.03942	4.5
55.05509	18.1
56.96555	3.7
57.03417	3.4
57.07074	3.4
59.04988	4.9
65.03931	2.8
65.89535	1.8
67.05503	26.4
69.03062	1.8
69.03418	8.8
69.07069	24.9
70.21183	8.0
71.04990	36.4
73.06555	13.6
78.04709	5.1
79.05492	25.8
81.03421	5.7
81.07057	48.9
83.04985	9.4
83.08603	9.1
84.96030	11.4
85.06542	4.0
91.05498	11.8
92.05786	2.0
93.06477	2.9
93.07047	55.9
95.04964	8.0
95.08609	100.0
96.08930	2.3
97.02895	2.9
97.06536	10.4
103.00612	5.1
105.07014	7.8
106.04147	2.4
107.04970	3.0
107.08592	63.8
109.02890	4.4
109.06487	6.8
109.10144	31.3
109.40200	1.8
111.04443	5.9
111.08066	8.6
119.08581	2.5
120.02019	2.7
121.01663	55.6
121.02962	3.2
121.06531	3.3
121.10144	44.2
121.99338	3.2
122.06062	4.0
123.04420	12.1
123.08077	4.6
123.11703	9.2
124.05180	5.7
125.05989	6.0
125.09617	6.3
126.05529	3.9
127.03896	2.9
131.08569	4.8
139.02704	29.5
139.03687	3.6
139.07530	5.1
140.00418	2.2
140.03377	2.6
144.03235	44.9
145.00951	3.4
149.02330	7.3
149.09616	12.7
149.13249	41.0
149.14378	3.7
150.05399	2.5
151.03912	2.9
152.04668	2.4
162.04300	24.8
162.72920	1.8
163.01950	4.3
167.03374	9.3
167.04860	10.9
167.07037	66.5
167.08398	5.4
167.10672	16.4
167.14337	22.6
168.02876	3.9
168.06471	4.7
185.06020	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25909	0.9
53.00290	1.0
53.03947	4.1
55.01860	2.7
55.05512	33.1
56.05026	2.5
57.03426	3.3
57.07071	7.1
59.05005	6.2
59.06109	3.7
64.87102	0.9
65.03938	2.9
66.04716	0.9
66.94344	0.7
67.05507	12.9
67.93566	1.0
68.05020	3.3
69.03130	1.1
69.03430	10.6
69.06725	1.3
69.07074	19.1
70.06578	2.5
70.36888	2.0
70.37297	2.5
71.05000	5.4
71.08633	1.5
72.08144	1.5
73.06544	1.1
78.04333	0.8
78.04720	9.3
79.05064	1.4
79.05493	20.4
80.06253	0.9
81.03400	2.7
81.07061	35.1
82.06587	4.2
83.04984	42.4
83.06084	3.3
83.08147	1.2
83.08620	19.5
84.08128	2.1
85.06565	4.9
85.07668	2.7
91.05481	9.1
93.03414	2.5
93.06469	1.6
93.07047	27.5
94.06587	1.5
94.07327	0.9
95.04959	7.5
95.06071	1.9
95.08601	11.6
97.02896	2.0
97.06541	7.6
97.07647	2.4
97.10180	4.3
98.06054	1.2
98.09683	1.4
98.21412	1.0
99.04444	1.1
99.08108	1.9
105.07015	6.6
105.84673	1.1
106.04182	3.2
107.04952	6.1
107.06083	1.0
107.08601	34.0
108.05349	0.9
109.02880	2.1
109.06528	8.9
109.07640	9.0
109.10153	15.6
110.07157	1.6
110.08407	2.3
110.10552	0.9
111.04454	4.2
111.08084	18.2
111.09222	5.0
112.08830	2.7
116.06244	1.1
119.03603	0.8
119.04896	0.9
119.08595	1.8
121.01682	6.9
121.02881	2.6
121.04755	1.0
121.06525	7.8
121.08459	1.7
121.10146	30.8
122.07167	3.3
123.04429	20.9
123.05374	1.7
123.08063	6.1
123.09173	2.0
123.11708	6.2
124.05227	7.5
124.08698	3.3
125.05988	4.6
125.08222	1.0
125.09645	12.3
126.05515	1.4
127.07500	1.2
131.08536	2.8
133.07646	1.5
134.03636	1.1
139.02701	3.0
139.03902	1.1
139.07536	1.9
139.11174	4.9
140.07053	1.3
140.10745	1.1
144.03284	3.9
147.04437	1.1
149.02306	3.1
149.04932	3.4
149.06001	1.4
149.09616	11.5
149.13268	9.5
150.05473	1.2
150.06602	1.3
150.10257	10.4
151.03929	4.5
152.04678	5.2
162.04317	3.4
167.03403	2.7
167.07050	100.0
167.10670	16.3
167.12991	2.9
167.14310	43.2
167.15785	1.3
168.07454	3.2
168.11339	1.5
168.14702	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21651	1.3
53.00300	2.0
53.03937	3.2
55.05511	18.9
57.03426	2.5
57.07080	3.0
59.04998	4.2
65.03948	3.5
67.05505	28.8
69.03432	3.4
69.07073	26.8
69.90649	8.1
71.04996	42.0
73.06562	15.2
78.04707	6.2
79.05487	23.4
81.03401	3.6
81.06577	2.8
81.07059	51.4
83.04970	6.8
83.08621	9.6
84.96036	4.3
85.06539	2.2
91.05487	10.7
93.07045	51.0
95.04964	6.2
95.08609	100.0
96.08955	3.0
97.06534	8.5
98.06026	1.5
98.21400	2.6
102.97057	2.0
103.00636	2.4
103.08640	1.4
105.07053	6.4
107.04983	8.0
107.08599	60.3
108.08946	2.9
109.02930	3.4
109.06531	6.5
109.10159	33.0
111.04463	3.7
111.08062	8.0
112.08393	1.5
121.01665	33.3
121.02947	2.1
121.06551	3.8
121.10149	40.1
122.75728	1.6
123.04436	11.7
123.08083	2.7
123.11680	8.6
124.05210	2.6
125.06014	3.9
125.09634	5.6
126.05560	3.5
127.03928	2.2
131.08574	2.2
135.04388	3.6
139.02692	20.0
139.07602	4.0
139.11122	2.0
140.95155	1.9
144.03232	27.1
149.02354	3.5
149.09644	13.5
149.13260	46.4
150.05482	3.3
152.04668	2.6
152.06215	1.9
162.04346	13.0
163.01942	1.9
167.03415	4.9
167.04906	6.5
167.07066	51.8
167.08543	6.9
167.10675	14.8
167.14337	18.6
168.06596	5.4
168.09245	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01865	4.2
55.05309	1.1
55.05517	15.3
56.05022	2.4
56.96554	2.0
57.03427	3.6
57.07059	3.5
59.04993	3.4
59.06123	2.8
65.03938	5.0
66.37569	1.3
67.05505	25.7
67.19302	1.1
68.05029	1.8
69.03434	2.9
69.07072	25.7
70.06593	2.2
71.04995	32.2
71.59150	1.7
72.08157	1.3
73.06558	12.4
76.49943	1.2
76.69825	1.1
78.04722	12.5
79.05497	36.0
81.03408	2.6
81.07061	37.9
82.06562	1.9
82.80180	1.2
83.04989	10.2
83.06098	3.2
83.08617	8.2
85.02910	2.2
85.06550	2.7
85.07663	2.3
91.05479	12.5
93.03414	3.1
93.07048	57.0
94.06555	2.0
95.04980	6.3
95.08610	77.1
96.08923	1.7
97.02911	1.8
97.06532	9.1
97.07667	1.8
98.07178	1.4
105.03407	1.8
105.07034	9.5
106.04170	3.7
107.04969	11.0
107.08598	71.7
108.04515	1.7
108.08904	1.2
109.02866	1.7
109.04065	1.4
109.06526	7.1
109.07661	6.3
109.10172	21.6
110.03757	1.3
110.08418	2.3
111.04452	3.2
111.08076	8.7
111.09207	2.6
113.09652	1.2
119.06057	1.2
121.01678	5.1
121.02888	4.4
121.06504	5.5
121.10148	43.3
122.03604	1.5
122.06057	1.2
122.07152	4.2
123.02674	1.3
123.04437	23.3
123.08086	4.2
123.09254	1.7
123.11704	10.4
124.05228	8.8
124.08690	3.8
125.06055	6.6
125.07060	1.3
125.08266	2.6
125.09621	8.7
126.06651	1.2
131.08583	4.1
135.04446	1.5
137.05980	1.7
139.02725	2.2
139.03885	1.4
139.07529	2.1
139.11195	3.0
144.03229	4.1
149.02333	6.1
149.06047	1.9
149.08391	1.9
149.09624	13.2
149.13263	21.1
150.05511	2.0
150.06662	1.6
150.10269	8.3
151.03937	4.7
151.06117	1.2
152.04683	7.5
162.04332	1.8
167.03386	5.5
167.07053	100.0
167.09341	2.6
167.10646	12.5
167.12971	2.4
167.14299	14.3
168.07452	4.2
168.11247	1.4
183.68855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00306	1.8
53.03936	3.3
55.01865	4.4
55.05515	17.9
57.03424	3.7
57.07072	3.4
59.04986	4.7
59.06114	2.0
65.03940	6.4
67.05511	26.8
68.05034	1.6
69.03419	4.0
69.07074	21.9
70.06589	3.0
71.04998	27.4
71.60421	1.9
73.06567	11.9
74.84328	1.1
78.04713	13.4
79.05058	2.3
79.05495	32.5
81.03400	2.9
81.04551	2.7
81.07063	39.6
82.06567	2.8
83.05006	7.0
83.06084	2.3
83.08614	7.5
84.08133	1.8
85.06542	3.0
85.07667	2.0
91.05489	11.9
93.03395	3.2
93.07053	53.9
95.04977	8.3
95.06133	1.4
95.08614	67.3
96.05742	1.3
97.02884	1.4
97.06548	9.0
97.07655	3.4
97.10147	1.5
99.08127	1.4
101.37798	1.4
105.03329	1.5
105.07044	7.9
106.00430	1.3
106.04185	3.4
107.04968	9.6
107.08601	65.7
108.04446	1.4
108.05661	2.0
109.02872	2.5
109.06537	6.1
109.07637	5.4
109.10168	19.9
110.08416	2.8
111.04440	3.8
111.08086	7.0
111.09183	3.7
121.01675	3.5
121.02856	4.3
121.06523	3.6
121.10155	37.7
122.03687	2.3
122.06147	1.3
122.07125	4.5
123.04432	24.7
123.08083	4.3
123.09267	1.2
123.11730	8.9
124.05219	10.7
124.08716	3.0
125.02415	1.5
125.05981	4.5
125.08218	2.1
125.09629	8.4
126.05537	1.5
126.06614	1.3
131.08530	3.4
135.04375	1.8
139.02686	2.5
139.03912	1.7
139.07591	2.4
139.11188	2.4
140.07037	1.7
144.03246	3.1
149.02338	5.8
149.05991	4.1
149.09610	13.3
149.13275	25.4
150.05470	2.3
150.06592	2.4
150.10255	6.1
151.03915	4.0
152.04652	5.9
167.03407	7.3
167.07060	100.0
167.10635	13.4
167.12981	2.5
167.14297	15.0
168.06441	2.3
168.07634	1.4
168.72894	1.2
172.79837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03939	3.4
55.01866	2.2
55.05269	1.3
55.05513	20.8
56.96549	1.5
57.03441	6.5
57.07063	2.7
58.86363	0.9
65.03934	1.2
67.05505	35.7
69.03425	1.8
69.07069	57.5
70.07394	1.3
70.10366	1.1
70.10653	5.6
71.01361	1.1
71.04990	9.3
78.04719	10.5
79.05489	22.9
81.03413	3.3
81.07058	42.4
82.07391	1.2
83.04980	5.3
83.08617	48.4
85.02896	2.0
85.06541	5.7
91.05465	7.0
93.07039	38.4
94.06615	1.3
95.04970	6.9
95.08607	12.2
97.02886	2.1
97.06530	15.6
97.10163	4.4
99.08074	3.6
105.07040	5.0
106.04165	3.6
107.04942	4.7
107.07867	1.6
107.08593	31.7
109.02871	3.9
109.06519	3.0
109.10158	3.9
111.04430	2.8
111.08076	18.6
112.08791	1.1
121.02876	2.8
121.06499	5.1
121.10143	24.8
123.04414	16.7
123.08060	1.7
123.11732	3.1
124.05235	5.9
125.05984	3.3
125.08225	1.2
125.09623	2.9
127.03861	2.8
134.03633	1.2
135.04358	1.5
139.03874	1.6
139.07584	1.1
144.03276	1.7
149.02397	2.2
149.06033	6.8
149.09612	4.4
149.13260	60.9
150.13513	1.4
151.03911	3.0
152.04651	3.4
162.04242	1.1
167.07037	100.0
167.10677	4.9
167.14311	57.4
167.15785	1.9
168.06386	1.4
168.07538	1.9
168.14575	1.8
189.48512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00300	1.6
53.03945	3.0
54.84594	0.9
55.01873	1.3
55.05513	15.7
56.96542	1.3
57.03425	2.1
57.07061	3.1
59.04988	2.9
62.44907	1.0
64.41794	1.2
65.03936	9.8
67.05171	1.8
67.05505	28.1
68.31553	1.1
69.03423	3.5
69.06720	1.8
69.07066	23.5
69.54995	6.5
69.55410	2.1
70.06583	1.1
71.04993	41.5
73.06173	1.2
73.06556	15.4
75.04472	2.5
78.04704	11.3
79.05479	16.3
81.03429	2.3
81.07053	28.0
83.04965	4.7
83.08622	8.3
84.96029	1.0
85.02907	1.2
85.06548	2.9
86.09707	2.9
91.05476	9.4
93.03413	6.6
93.07040	67.7
94.07354	1.4
95.04964	5.8
95.08602	97.9
96.08936	2.9
97.02875	1.6
97.06532	5.8
97.10164	1.3
98.20744	1.9
100.07591	1.4
105.07039	7.5
106.04149	4.0
107.04930	3.4
107.08588	44.5
108.08932	1.4
109.02841	1.3
109.06548	3.0
109.10154	15.5
111.04443	3.4
111.08063	6.7
112.07568	1.4
119.08553	1.2
121.01646	2.9
121.02866	3.2
121.06473	2.8
121.10142	40.5
122.03617	1.8
122.10471	1.8
123.04426	18.2
123.08070	2.7
123.11713	8.5
124.05259	6.3
125.02324	2.4
125.05981	1.9
125.09590	3.1
127.03914	1.5
134.03621	0.9
135.04384	1.1
137.05951	1.4
139.02750	1.8
139.03886	1.8
139.10094	1.1
139.11163	2.8
144.03252	2.7
149.02377	6.7
149.09605	4.8
149.13257	26.8
150.13617	1.1
151.03914	2.6
152.04706	6.0
167.03369	2.6
167.07037	100.0
167.10657	6.4
167.14316	13.7
168.04156	1.1
168.07368	3.8
168.13849	3.5
171.26303	1.1
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	Unknow
Peak:m/z	Relative Intensity
52.01474	0.7
53.03933	2.5
55.01845	0.9
55.05513	9.0
56.96573	4.0
57.03434	1.8
59.04985	2.1
61.83210	0.7
64.36092	0.6
65.03940	6.4
67.05170	1.1
67.05504	18.0
68.26097	0.9
69.03423	3.0
69.07070	9.2
70.06556	0.7
71.04993	19.1
73.06550	7.4
75.04464	1.9
75.89091	0.7
78.04707	11.2
79.05055	1.4
79.05489	16.8
79.42918	0.7
80.05025	1.0
81.03403	2.1
81.07054	22.6
83.04964	4.0
83.08633	4.0
84.96034	1.7
85.06532	1.7
87.08079	0.8
91.05479	8.0
93.03386	4.5
93.07039	52.1
94.04155	1.1
94.07381	1.2
95.04967	6.4
95.08602	44.5
96.08933	0.8
97.06519	5.3
97.10175	0.9
98.20730	1.9
105.03380	1.7
105.04509	0.7
105.07028	5.2
106.04158	5.4
107.04970	6.8
107.08586	29.9
109.02872	3.6
109.06538	4.9
109.10157	12.8
109.10878	0.5
111.04421	2.2
111.08077	7.3
119.08575	1.0
121.01654	3.0
121.02897	3.6
121.06493	2.1
121.08449	5.1
121.10139	38.8
122.03653	1.2
122.07156	0.9
122.10500	1.4
123.04427	22.2
123.08057	3.6
123.11699	3.2
124.05271	5.9
125.02353	2.3
125.05989	2.1
125.08184	1.0
125.09611	3.3
126.05493	1.0
131.08569	2.2
135.04442	0.9
137.05981	1.1
139.02699	1.4
139.03876	0.8
139.07550	2.0
139.11208	1.5
144.03239	2.1
149.02328	4.1
149.06009	1.4
149.09630	5.0
149.13261	14.6
150.05443	0.8
150.10179	1.3
151.03891	3.8
152.04700	4.5
162.04262	1.3
162.89314	0.8
167.03503	3.9
167.07036	100.0
167.10619	9.6
167.14278	8.3
168.07507	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03947	1.6
55.01874	6.8
55.05297	0.7
55.05517	7.9
56.05032	3.5
56.96563	1.7
57.03432	2.7
59.05014	1.0
59.06118	3.2
65.03947	3.5
66.04712	0.8
67.05509	12.4
68.05041	3.5
68.32962	0.7
69.03439	4.1
69.04531	0.9
69.07073	7.1
70.06586	3.2
71.01353	0.9
71.04992	2.0
71.58820	1.0
72.08158	1.5
76.22772	0.8
78.04717	10.6
79.05500	42.0
80.05022	1.5
81.03412	2.6
81.04539	2.0
81.07058	11.5
82.06573	4.3
83.04987	7.6
83.06100	4.3
83.08620	2.1
84.04496	0.9
84.08150	4.0
84.96030	1.3
85.02904	1.8
85.06547	1.8
85.07665	2.8
91.05487	18.4
93.03420	2.1
93.07053	39.1
94.06566	2.5
95.04979	10.7
95.06113	1.2
95.08615	9.4
96.05700	1.2
97.02879	1.7
97.06539	7.6
97.07637	2.8
97.10139	1.7
98.07209	1.0
98.09675	1.2
98.98480	1.4
99.04420	0.9
99.05545	0.9
99.09210	1.1
102.94887	1.1
103.05442	2.0
105.04514	1.0
105.07038	30.3
106.04197	3.9
107.04376	1.0
107.04974	9.4
107.06096	1.6
107.08602	73.3
108.04475	1.8
108.05564	0.7
108.08952	2.1
109.02886	2.9
109.06546	8.3
109.07648	14.5
109.10167	2.1
110.06034	1.2
110.07162	2.5
110.08441	4.6
111.04433	4.1
111.08067	2.2
111.09225	8.4
116.06239	1.8
119.04965	1.2
119.08601	3.2
120.02019	0.8
121.01696	7.2
121.02921	3.7
121.05629	1.4
121.06507	11.2
121.08410	2.3
121.10152	47.0
122.03680	1.3
122.06039	2.3
122.07138	4.6
122.10479	0.8
123.04437	22.0
123.08064	8.1
123.09151	2.1
123.11700	1.7
124.05238	7.6
124.08735	3.6
125.02381	0.7
125.06026	5.3
125.08249	2.8
125.09630	5.3
126.05533	1.5
126.06622	1.5
126.10310	0.8
129.06985	0.9
131.08580	22.4
133.07590	1.0
134.03613	1.6
135.04417	1.7
137.09637	8.1
137.10614	1.2
139.02707	5.0
139.03873	1.9
139.07547	3.0
139.11194	3.3
139.12827	0.7
140.07095	0.9
140.08142	0.7
144.03275	6.1
147.04407	0.8
149.02367	4.9
149.04918	2.2
149.05992	3.2
149.09628	60.2
149.13284	2.0
150.05505	1.6
150.06567	1.4
150.09035	1.0
150.10252	14.3
151.03903	3.6
152.04721	5.8
153.21738	0.8
162.04285	3.3
167.03462	5.3
167.07051	100.0
167.09351	3.4
167.10669	32.9
167.12842	4.7
167.14374	2.7
168.06441	1.5
168.07629	1.9
168.11247	1.0
172.95227	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02370	0.8
53.03946	2.7
55.01869	1.4
55.05509	5.3
56.96566	5.7
57.03436	1.7
57.07085	0.5
59.04999	0.8
59.06132	0.6
59.44730	0.4
65.03938	4.6
66.04704	0.6
67.05496	4.3
69.03421	1.6
69.07066	4.3
70.00516	0.9
70.00932	1.6
71.04990	1.7
75.04479	7.0
77.03941	0.5
78.04713	6.1
79.05492	12.4
79.91653	0.4
81.03424	1.8
81.07057	8.4
83.04981	3.3
83.06104	0.4
83.08614	7.4
84.08967	0.6
85.06551	0.8
85.59567	0.4
91.05484	12.6
93.03407	3.4
93.07040	100.0
94.07372	1.4
95.04973	6.2
95.08600	5.5
97.02841	0.8
97.06535	3.3
97.10197	1.0
97.99159	0.6
103.05469	1.0
105.03378	1.4
105.04530	1.1
105.07020	7.0
106.04170	2.3
106.07824	0.6
107.04955	3.6
107.08590	16.9
109.02879	1.6
109.06511	2.8
109.07658	0.8
109.10152	3.7
111.04433	2.0
111.08078	19.7
112.08401	0.8
115.00698	1.5
116.00238	0.5
119.08601	1.2
121.01677	1.9
121.02893	2.2
121.06494	1.8
121.10139	56.7
122.03644	1.2
122.10455	0.7
123.04427	13.3
123.05403	0.7
123.05711	0.9
123.08044	4.0
123.11710	4.0
124.05229	5.4
125.02303	0.7
125.06047	2.3
125.07072	0.5
125.08231	0.7
125.09620	2.1
127.03929	0.5
131.08569	1.9
132.06232	1.3
133.01727	2.1
133.07629	0.9
134.03647	0.8
134.56456	0.7
135.04445	0.6
137.05981	1.8
139.03976	0.6
139.07536	1.1
139.11182	2.4
143.57019	0.7
144.03270	1.5
145.01758	2.5
145.02718	0.5
149.02333	4.3
149.06030	0.7
149.09618	8.0
149.13260	1.8
150.05521	0.7
150.10242	0.9
151.03853	2.7
152.04677	2.7
163.02823	1.0
167.03438	2.8
167.07037	65.3
167.10657	10.2
167.12953	1.1
167.14241	2.4
168.03256	0.8
168.07411	2.0
168.13893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02374	0.5
53.03939	0.8
55.01864	0.8
55.05515	2.9
56.05029	0.6
56.96556	0.4
57.03420	0.7
57.07053	0.4
59.04993	0.7
59.06116	0.6
65.03944	3.9
66.04710	0.4
67.05500	3.9
68.05013	0.6
69.03432	1.9
69.07069	2.7
69.34915	2.0
69.35340	0.9
70.06593	0.5
71.04998	2.1
72.08134	0.6
73.06551	0.6
77.03892	0.4
78.04712	10.6
79.05493	8.2
80.05044	0.3
81.03412	1.0
81.04536	0.4
81.07057	5.0
82.06561	0.9
83.01348	0.3
83.04980	3.6
83.06100	0.7
83.08617	0.9
83.49119	0.3
84.08149	0.6
84.96011	0.5
85.02924	0.6
85.06528	0.4
85.07676	0.3
91.05482	3.8
93.03408	3.1
93.07045	11.6
94.04191	0.7
95.04968	2.8
95.08605	6.2
96.05735	0.8
96.08910	0.3
97.02883	0.7
97.06539	2.2
97.07641	0.8
97.10150	0.5
98.09667	0.3
105.03383	0.7
105.04515	0.4
105.07032	2.7
106.04179	3.9
107.04961	4.5
107.08597	10.7
109.02878	1.8
109.06536	2.2
109.07665	2.0
109.10155	1.5
110.07182	0.3
110.08430	0.7
111.04446	1.9
111.08051	1.5
111.09203	1.1
112.07644	0.3
119.08579	0.4
121.01701	1.7
121.02860	1.9
121.06499	2.1
121.10146	14.3
122.03627	1.1
122.07143	0.7
122.10458	0.4
123.04434	19.5
123.08060	0.7
123.09182	0.3
123.11716	1.3
124.05228	8.0
124.08716	0.6
125.02369	0.9
125.05981	2.1
125.06931	0.4
125.08240	0.6
125.09639	1.2
126.05547	0.5
126.06633	0.4
131.08549	1.4
134.03621	0.9
135.04405	0.9
137.05951	1.1
138.03040	0.3
139.02705	0.8
139.03853	0.3
139.07538	1.0
139.11197	1.6
140.07069	0.5
143.96654	0.3
144.03252	1.6
149.02332	3.4
149.05963	1.0
149.08401	0.5
149.09622	6.5
149.13258	1.7
150.05469	0.5
150.06613	0.4
150.10219	2.3
151.03922	4.2
152.04695	4.6
162.04285	0.9
165.05498	0.4
167.03462	3.0
167.07042	100.0
167.10669	11.1
167.14185	1.9
168.04230	0.6
168.07478	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	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03938	1.8
55.01865	1.1
55.05508	5.0
56.05035	3.1
56.96561	0.7
57.03419	1.3
58.06591	0.8
59.04989	1.5
59.06138	3.5
65.03929	1.1
66.04741	0.7
67.05506	3.2
68.05035	3.3
69.03419	2.2
69.04555	1.3
69.07065	4.5
70.06588	2.8
70.90151	1.1
70.90507	1.2
71.04980	1.7
71.07385	0.6
72.08155	1.7
77.03966	0.6
78.04713	10.1
79.05496	17.5
80.05007	1.1
81.03403	2.0
81.04517	1.0
81.07060	6.5
82.06581	3.3
83.04980	5.5
83.06100	3.5
83.08625	1.7
84.04513	0.7
84.08154	2.6
84.96029	0.8
85.02879	1.0
85.06541	1.2
85.07667	1.8
88.10068	0.5
88.85518	0.6
91.05489	6.9
93.03415	0.9
93.07044	10.3
94.04189	1.3
94.06554	1.6
95.04960	5.7
95.06069	1.2
95.08611	4.2
96.04411	0.6
96.05721	1.4
96.08139	0.6
97.02840	0.8
97.06537	2.9
97.07647	3.2
97.10148	1.3
98.08466	0.7
98.09708	0.8
99.04499	0.6
102.94895	0.7
103.00681	0.6
105.03389	1.0
105.04507	0.9
105.07026	4.0
106.04200	4.2
107.04958	15.1
107.06081	1.1
107.08595	14.8
108.04493	0.7
108.05690	0.5
109.02866	2.8
109.06513	10.0
109.07639	9.7
109.10120	1.0
110.06057	0.9
110.07219	1.3
110.08440	3.4
111.04457	3.9
111.08052	1.9
111.09209	5.1
112.04015	0.5
119.04926	0.7
119.08578	0.8
121.01672	3.2
121.02888	1.9
121.06499	9.8
121.08385	0.5
121.10143	13.5
122.03646	2.1
122.06092	0.6
122.07130	3.5
123.03566	1.1
123.04435	20.1
123.08049	3.5
123.09162	1.8
123.11696	0.8
124.05230	9.7
124.08717	3.1
125.06049	4.6
125.06916	0.9
125.08234	1.7
125.09643	2.6
126.10281	0.6
127.07430	1.0
127.11089	0.6
131.08568	2.2
133.07637	0.5
134.03664	1.2
135.04433	1.1
137.06030	1.0
137.08206	1.0
138.03101	0.8
138.06720	0.7
138.10216	0.6
139.02708	2.3
139.03912	1.5
139.07532	1.9
139.11195	1.7
139.67931	0.7
140.07100	0.9
140.08119	0.8
140.11823	0.7
144.03258	3.0
149.02304	2.4
149.04942	1.3
149.05995	1.6
149.08325	1.0
149.09602	7.9
149.13243	0.6
150.05501	0.7
150.06609	1.3
150.10263	9.9
151.03896	4.0
152.04675	5.3
162.04324	1.5
167.03423	4.7
167.07045	100.0
167.10652	8.0
167.12915	3.7
167.14337	2.7
168.07410	2.3
168.11244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.57437	0.2
53.03939	0.9
55.01868	0.8
55.05508	1.3
56.96561	0.7
57.03426	0.4
57.07070	0.4
65.03935	1.0
66.04709	0.5
67.05514	2.0
69.03430	0.6
69.07069	2.1
70.06537	0.3
71.04993	0.5
71.61308	0.3
78.04710	11.1
79.05065	0.6
79.05493	5.5
81.03414	0.9
81.07055	2.6
83.04997	1.4
83.06090	0.4
83.08611	0.8
84.96032	1.0
85.06525	0.3
91.05508	1.4
93.03381	0.5
93.07045	3.9
94.04193	0.6
95.04973	3.1
95.08608	1.6
96.05754	0.7
97.06533	1.0
103.95669	0.3
105.03379	1.3
105.07005	0.8
106.04173	4.2
107.04961	2.6
107.08599	5.5
109.02870	2.0
109.06511	1.2
109.07597	0.3
109.10140	0.8
110.03671	0.5
111.04421	1.1
111.08066	1.2
111.09197	0.5
121.01673	2.5
121.02859	0.9
121.06503	1.2
121.10134	4.5
122.03642	1.1
122.07186	0.4
123.04429	21.5
123.08080	0.8
123.11713	0.4
124.05224	6.7
125.02406	0.3
125.05956	1.1
125.08241	0.6
125.09624	0.9
126.05534	0.6
126.06577	0.4
134.03638	1.3
135.04407	0.7
137.05986	0.9
138.03108	0.5
139.02702	1.1
139.03775	0.4
139.07536	1.2
139.08536	0.4
139.11211	0.4
140.03386	0.3
143.96667	0.3
144.03235	2.0
149.02365	1.6
149.04930	0.5
149.05966	1.0
149.09608	1.3
149.13243	1.2
150.05473	0.5
151.03894	4.2
152.04703	4.8
158.81888	0.3
162.04332	0.8
165.05470	0.4
167.03448	2.0
167.07042	100.0
167.10629	3.0
167.14291	1.7
168.04201	0.7
168.07481	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02386	0.3
52.03143	0.3
53.03953	1.4
55.01873	1.7
55.05515	1.3
56.96563	0.3
57.03433	0.4
65.03716	0.2
65.03944	2.0
66.04714	0.9
67.05511	2.1
68.78707	0.2
68.99784	0.8
69.03413	0.9
69.07065	0.9
69.57159	1.4
69.57574	0.4
71.04987	0.8
75.04477	0.5
77.03900	0.3
78.04716	11.0
79.05109	0.3
79.05498	5.3
79.41226	0.2
81.03429	1.4
81.07064	2.6
82.06570	0.3
83.04994	1.6
83.08621	0.5
84.96033	0.4
91.05487	2.0
93.03395	1.1
93.07046	9.5
94.04176	0.8
95.04974	3.2
95.08604	1.3
96.05732	1.0
97.02877	1.0
97.06537	1.2
98.21515	0.5
103.00618	0.3
105.03384	1.0
105.04511	0.4
105.07032	1.8
106.04176	3.8
107.04977	2.6
107.08597	7.2
109.02892	2.3
109.06509	1.3
109.07636	0.4
109.10149	0.4
111.04451	1.3
111.08070	1.4
111.42819	0.2
119.08580	0.3
121.01680	0.8
121.02895	3.5
121.06496	0.9
121.08448	0.5
121.10150	6.9
122.03656	1.6
122.06013	0.3
122.07174	0.4
123.04434	20.1
123.08044	0.9
123.11685	0.5
124.05235	7.2
125.05975	0.9
125.08244	0.4
125.09638	0.8
126.05563	0.4
127.03909	0.3
131.08557	0.6
134.03641	1.0
135.04427	0.8
137.02325	0.4
137.05975	0.7
138.03090	0.3
139.02707	0.4
139.03902	0.8
139.07550	0.6
139.11191	0.6
140.03407	0.2
144.03226	0.7
149.02400	1.2
149.03369	0.2
149.05975	0.3
149.09639	2.6
149.13216	0.4
150.03120	0.3
151.03905	4.0
152.04691	5.0
152.05942	0.3
162.04333	0.4
167.03461	2.3
167.07045	100.0
167.10674	3.0
167.14333	0.7
168.04207	0.5
168.07491	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01593	0.4
51.02361	0.3
53.03946	1.2
55.01862	0.6
55.05508	1.3
56.96555	0.6
57.03428	0.8
57.07074	0.4
59.05004	0.5
59.06131	0.3
65.03935	2.0
66.04719	0.4
67.05508	2.1
68.05036	0.3
68.99792	0.2
69.03420	0.7
69.07066	1.3
70.85940	0.4
70.86283	0.4
71.04982	0.7
72.04493	0.2
75.04482	1.8
77.03921	0.4
78.04711	11.0
79.05069	0.3
79.05489	6.1
81.03413	0.9
81.07053	3.6
82.58090	0.2
83.04986	1.4
83.06112	0.2
83.08619	0.8
84.08177	0.3
85.02905	0.4
88.79665	0.2
91.05482	4.4
93.03402	1.6
93.07042	31.6
94.04198	0.6
94.07398	0.4
95.04964	3.6
95.08599	2.0
96.05766	0.6
97.02882	0.5
97.06525	1.3
97.07625	0.3
98.06077	0.3
105.03381	1.1
105.04523	0.5
105.07027	2.3
106.04168	4.5
107.04967	2.7
107.08591	4.9
108.34080	0.2
109.02874	1.4
109.06530	1.6
109.07637	0.9
109.10159	0.5
110.03634	0.2
110.08423	0.3
111.04466	1.2
111.08080	5.1
111.09248	0.3
119.08581	0.7
121.01646	0.4
121.02860	0.9
121.06542	1.3
121.10139	19.0
122.03626	1.4
122.07125	0.3
122.10490	0.3
123.04427	21.5
123.08055	1.5
123.11709	0.8
124.05243	6.1
124.08704	0.5
125.02372	0.3
125.05996	1.3
125.08254	0.4
125.09637	1.0
126.06604	0.3
127.03898	0.2
131.08571	0.9
134.03635	1.0
135.04417	1.0
135.20201	0.2
137.02367	0.5
137.05971	1.0
138.03122	0.5
139.03862	0.3
139.07526	0.6
139.11186	0.8
144.03235	0.3
149.02362	1.4
149.06038	0.4
149.09622	4.0
149.13272	0.6
150.10252	0.8
151.03894	4.4
152.04674	4.3
155.98875	0.3
167.03386	1.8
167.07036	100.0
167.10638	4.2
167.14285	0.7
168.04173	0.6
168.07431	2.6
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	Apocynin
Peak:m/z	Relative Intensity
51.02384	0.4
53.03936	1.1
55.01863	0.6
55.05504	1.2
55.71542	0.2
56.05018	0.3
57.03423	0.4
57.07057	0.2
58.83749	0.2
59.04996	0.3
59.06116	0.5
62.41650	0.2
65.03944	0.4
66.04714	0.5
67.05497	1.9
68.05028	0.4
68.99778	0.5
69.03425	0.7
69.07069	8.8
70.06588	0.3
71.04986	1.1
71.12588	0.2
71.56729	0.3
73.06548	0.3
75.11544	0.2
78.04712	11.4
79.05060	0.5
79.05492	7.0
81.03412	1.1
81.07058	3.0
82.06575	0.4
83.04974	1.0
83.06134	0.3
83.08594	0.5
84.08150	0.3
85.02897	0.3
85.06513	0.2
91.05490	2.3
92.02609	0.3
93.03407	0.9
93.07040	6.3
94.04193	0.7
95.04968	2.7
95.08611	3.0
96.05733	0.9
97.02909	0.6
97.06540	1.2
97.07639	0.4
98.98465	17.7
99.04446	0.4
103.05521	0.4
105.03385	0.9
105.04542	0.3
105.07034	1.3
106.04172	5.1
107.04282	0.3
107.04954	3.9
107.08596	5.8
109.02855	1.8
109.06528	1.6
109.07631	1.4
109.10165	0.9
110.03643	0.4
110.08405	0.3
111.04430	0.7
111.08049	1.0
111.09206	0.8
116.99499	0.8
118.21003	0.2
121.01647	0.4
121.02901	1.3
121.06503	1.4
121.08406	0.4
121.10144	5.9
122.03628	1.0
122.07152	0.7
123.04427	20.6
123.08044	1.0
123.11695	0.5
124.05225	7.6
124.08660	0.3
125.06046	1.4
125.08238	0.5
125.09621	0.8
126.05499	0.3
127.07457	0.3
131.08569	0.7
134.03612	1.1
135.04384	0.7
137.02324	0.4
137.05984	1.0
137.08209	0.3
138.03120	0.3
139.03889	0.4
139.07555	0.5
139.11179	0.8
144.03281	0.5
145.74059	0.2
147.14870	0.2
149.02361	0.9
149.05969	0.6
149.09612	2.6
149.13252	0.9
150.05510	0.3
150.06618	0.4
150.10289	1.3
151.03915	3.8
152.04681	4.7
162.04230	0.3
167.07036	100.0
167.10580	2.7
167.14331	0.8
168.04179	0.6
168.07423	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.03161	0.4
53.03937	1.2
55.01863	0.7
55.05496	1.2
56.05024	0.4
57.03423	0.3
59.04998	0.4
59.06107	0.4
62.89299	0.3
65.03925	0.9
66.04718	0.9
67.05506	1.5
68.05042	0.5
69.03421	1.0
69.07071	8.1
70.09467	1.4
71.04980	0.9
75.04498	0.3
78.04711	10.7
79.05075	0.3
79.05487	6.2
80.05017	0.3
81.03408	1.1
81.04531	0.3
81.07062	2.5
82.06587	0.6
83.04982	1.2
83.06096	0.3
84.04494	0.4
84.08140	0.4
85.02898	0.6
91.05473	2.1
93.03405	0.6
93.07047	5.2
94.04190	0.5
95.04961	3.1
95.08617	1.7
96.05746	0.9
97.02863	0.5
97.06531	1.1
97.07639	0.4
98.98470	15.6
103.05420	0.3
105.03387	1.1
105.07019	1.6
106.04170	3.9
107.04958	3.3
107.08603	5.9
108.05590	0.3
109.02874	2.3
109.06531	2.3
109.07639	1.5
109.10149	0.5
110.03642	0.4
110.07103	0.3
111.04447	1.0
111.08093	1.0
111.09212	0.6
116.99507	0.9
119.08532	0.3
121.01693	1.0
121.02869	1.1
121.05650	0.3
121.06507	0.9
121.08448	0.5
121.10148	5.2
122.03641	1.1
122.07168	1.1
123.04433	21.2
123.08047	1.8
123.11734	0.6
124.05235	7.4
124.08714	0.4
125.05997	1.1
125.06983	0.3
125.08227	0.5
125.09653	1.3
126.06649	0.3
131.08563	1.4
134.03668	1.5
135.04448	0.9
137.02325	0.4
137.05995	0.6
137.09563	0.4
138.10118	0.3
139.02655	0.4
139.03835	0.3
139.07536	0.6
139.11221	0.7
140.03387	0.3
142.52640	0.4
144.03267	0.8
147.04390	0.5
149.02400	1.3
149.04965	0.8
149.09622	3.8
149.13274	0.4
150.06674	0.6
150.10243	1.2
151.03922	4.0
152.04694	5.1
162.04323	0.3
167.07043	100.0
167.10643	4.8
167.14272	0.7
168.04163	0.6
168.07478	2.4
172.81792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.46112	0.3
53.03938	1.5
55.01869	2.8
55.05510	2.6
56.05036	0.5
56.96547	0.6
57.03423	0.4
59.06116	0.7
65.03931	1.1
66.04697	0.5
67.05505	4.8
68.05020	0.7
68.87265	0.3
69.03426	1.4
69.04517	0.5
69.07062	1.8
69.52439	3.3
70.06601	0.5
70.10681	0.3
71.04990	1.6
77.03940	0.4
78.04269	0.5
78.04715	10.3
79.05494	23.5
81.03413	1.4
81.04549	0.6
81.07061	3.7
82.06582	0.9
83.04993	2.4
83.06092	0.8
84.08141	0.9
85.07701	0.6
91.05482	9.1
93.03402	0.9
93.07044	17.8
94.04198	0.8
94.06574	0.4
95.04971	5.3
95.08617	2.4
96.05724	0.7
97.02878	0.5
97.06539	3.2
97.07645	0.8
98.58606	0.4
103.05476	0.9
105.03384	0.7
105.04530	0.4
105.07034	18.8
106.04179	4.9
107.04971	5.2
107.08596	41.2
108.08912	1.1
109.02879	2.0
109.06517	3.2
109.07626	2.7
109.10168	1.0
110.03625	0.4
110.07167	0.5
110.08405	1.5
111.04424	1.1
111.08047	0.8
111.09202	1.8
116.06219	0.5
119.08572	3.2
121.01689	1.4
121.02900	0.6
121.06511	4.7
121.10146	40.0
122.03651	1.5
122.07149	1.2
122.10468	0.6
123.04434	21.2
123.08096	3.9
123.09011	0.8
123.11721	0.5
124.05221	8.3
125.05984	1.7
125.08215	0.7
125.09635	2.8
129.06987	0.5
131.08563	11.8
133.07632	0.6
134.03624	0.9
134.07274	0.5
135.04430	0.8
137.02318	0.6
137.06044	0.6
137.09619	4.3
139.02708	0.5
139.07544	0.9
139.11125	0.6
144.03217	0.8
149.02354	1.2
149.04935	0.6
149.09621	31.0
149.13277	0.6
150.10234	2.9
151.03911	4.0
152.04692	5.1
167.03391	1.6
167.07043	100.0
167.10672	16.0
167.12929	0.9
168.07384	2.7
168.11099	0.5
181.29892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02375	0.1
53.03944	0.1
71.22871	0.3
77.03914	0.1
79.05494	1.0
79.40314	0.1
82.41965	0.1
84.71038	0.1
91.05487	0.6
93.07053	2.0
95.04950	0.2
103.05467	8.6
104.05801	0.3
107.04965	2.0
120.08103	100.0
121.07673	0.2
121.08453	2.2
131.04922	2.4
149.05969	0.9
156.64510	0.1
166.08632	2.6
166.09930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.34604	1.1
53.03931	2.3
55.01860	4.1
55.05499	5.0
57.03424	4.7
65.03933	1.4
67.05174	2.1
67.05510	35.2
69.03432	6.0
69.07054	5.2
70.61902	0.9
71.04991	2.3
71.59718	1.4
79.05066	1.8
79.05496	30.3
79.05953	1.4
81.03424	1.7
81.07059	74.2
82.07391	2.0
83.04971	9.4
83.08616	1.5
84.48944	1.0
85.02916	1.1
85.06527	5.0
91.05483	51.8
92.05804	1.4
93.07047	36.3
95.04974	17.2
95.08606	19.9
97.02865	1.8
97.06534	7.4
101.00878	1.7
101.02531	2.5
103.05454	1.8
105.07032	62.6
106.07302	1.3
107.07867	1.5
107.08591	24.0
109.06516	13.7
109.10178	9.6
117.06989	3.0
118.03603	1.4
119.01942	12.3
119.03613	2.5
119.04942	30.7
119.08585	63.2
120.05256	1.3
120.08116	2.0
120.08926	2.9
121.06531	1.2
121.10148	62.7
122.07238	2.3
122.10416	2.3
123.04460	3.1
123.08070	8.4
123.11716	10.4
124.08630	1.1
133.02849	4.5
135.04456	1.4
137.03009	6.8
137.06046	5.4
137.09641	13.6
137.13269	1.8
142.03476	11.5
142.96727	2.1
143.03589	1.1
147.04416	62.3
147.08031	4.7
147.11691	100.0
148.04765	3.5
148.12033	3.0
152.05876	1.6
160.04655	6.1
165.01855	1.4
165.05641	7.9
165.06900	1.9
165.09108	22.2
165.12759	93.0
166.04910	2.5
166.13136	3.3
183.70044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34604	1.1
53.03931	2.3
55.01860	4.1
55.05499	5.0
57.03424	4.7
65.03933	1.4
67.05174	2.1
67.05510	35.2
69.03432	6.0
69.07054	5.2
70.61902	0.9
71.04991	2.3
71.59718	1.4
79.05066	1.8
79.05496	30.3
79.05953	1.4
81.03424	1.7
81.07059	74.2
82.07391	2.0
83.04971	9.4
83.08616	1.5
84.48944	1.0
85.02916	1.1
85.06527	5.0
91.05483	51.8
92.05804	1.4
93.07047	36.3
95.04974	17.2
95.08606	19.9
97.02865	1.8
97.06534	7.4
101.00878	1.7
101.02531	2.5
103.05454	1.8
105.07032	62.6
106.07302	1.3
107.07867	1.5
107.08591	24.0
109.06516	13.7
109.10178	9.6
117.06989	3.0
118.03603	1.4
119.01942	12.3
119.03613	2.5
119.04942	30.7
119.08585	63.2
120.05256	1.3
120.08116	2.0
120.08926	2.9
121.06531	1.2
121.10148	62.7
122.07238	2.3
122.10416	2.3
123.04460	3.1
123.08070	8.4
123.11716	10.4
124.08630	1.1
133.02849	4.5
135.04456	1.4
137.03009	6.8
137.06046	5.4
137.09641	13.6
137.13269	1.8
142.03476	11.5
142.96727	2.1
143.03589	1.1
147.04416	62.3
147.08031	4.7
147.11691	100.0
148.04765	3.5
148.12033	3.0
152.05876	1.6
160.04655	6.1
165.01855	1.4
165.05641	7.9
165.06900	1.9
165.09108	22.2
165.12759	93.0
166.04910	2.5
166.13136	3.3
183.70044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03935	1.6
55.01873	1.3
55.05504	1.3
57.07106	0.9
61.69305	1.0
65.03938	1.0
67.05505	12.5
69.03433	1.5
69.07043	0.9
71.04986	1.0
79.05494	31.6
81.07058	100.0
82.07372	2.2
83.86355	0.8
86.98899	0.8
88.40711	0.9
91.05475	7.6
93.07046	5.1
95.04945	5.1
95.08610	17.0
97.06564	0.9
101.00856	3.5
101.02567	1.6
105.07029	12.1
107.08595	58.0
108.08939	2.4
109.06519	37.4
109.10189	1.1
118.03516	1.2
119.01923	28.0
119.03562	1.4
119.04932	7.5
119.08570	10.8
120.02014	2.0
121.06522	0.9
121.10099	2.2
123.08068	80.2
123.11688	4.7
124.02449	1.2
124.08400	2.0
127.07558	41.4
137.02953	15.1
137.09641	2.1
138.02972	1.0
138.98259	0.9
142.03497	23.7
142.96667	2.3
143.03627	1.9
147.03372	1.4
147.04417	17.0
147.08043	1.8
147.11691	46.3
148.11996	2.0
160.04562	9.9
161.04756	1.0
165.05197	4.1
165.09151	4.7
165.12755	99.7
166.05025	1.4
166.13113	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	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
50.81162	0.3
53.03956	0.4
53.55418	0.4
55.01870	0.6
55.05519	3.6
65.03943	0.7
67.05503	4.9
69.03439	1.1
69.07060	2.7
71.04996	0.9
76.97366	0.4
79.05489	3.3
81.03421	1.8
81.07056	7.6
83.04987	1.1
83.08617	2.8
85.02883	0.5
91.05479	7.6
92.05785	0.4
93.07043	1.7
95.04968	100.0
95.08602	4.5
96.05290	2.3
98.20710	0.8
101.00871	0.8
101.02593	0.5
102.02201	0.4
103.05455	0.5
105.07036	5.8
107.04932	0.5
107.08593	9.6
108.08910	0.6
109.02888	0.4
109.06519	23.1
109.10165	3.5
110.06813	0.4
117.06969	0.5
118.03519	0.5
119.01920	5.5
119.03648	0.9
119.04939	8.4
119.07786	0.8
119.08585	8.2
120.08099	1.1
121.06484	0.5
121.10144	2.3
122.07234	1.6
123.04449	1.0
123.08064	2.3
123.08878	0.5
123.11715	1.4
127.88573	0.4
133.02849	1.6
135.04442	0.6
137.03017	2.7
137.05962	2.4
137.09619	6.0
137.13239	1.3
142.03490	4.1
142.96684	0.5
143.03656	0.5
144.57431	0.4
147.04411	20.9
147.08035	1.9
147.11693	10.2
148.04750	1.2
160.04552	1.5
165.04257	0.7
165.05646	2.4
165.07790	0.7
165.09108	11.6
165.12755	67.7
166.04974	0.9
166.08543	0.6
166.13145	2.3
166.70004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	p-Cumate
Peak:m/z	Relative Intensity
51.02381	0.3
53.03952	0.7
53.96019	0.3
54.03459	0.3
54.47168	0.3
55.01870	1.0
55.05253	0.3
55.05517	0.9
59.04996	0.5
65.03945	0.7
67.05167	0.6
67.05506	8.3
69.03426	1.3
69.07064	0.5
69.33832	2.5
76.48862	0.3
77.03869	0.4
79.05495	4.0
81.07059	4.2
82.06591	0.5
83.04960	0.3
91.05482	22.7
92.05812	0.6
93.07052	7.7
95.04965	4.0
95.08613	6.0
96.37561	0.3
103.05478	2.1
104.06251	1.1
105.03411	0.5
105.06301	0.5
105.07029	8.9
107.04967	0.9
107.08601	2.1
109.06505	2.4
109.10159	7.9
110.01846	0.3
117.07024	4.8
119.01945	2.9
119.04948	7.9
119.08580	100.0
120.05664	0.3
120.08094	0.6
120.08925	2.4
121.06542	0.4
121.10146	2.4
122.07166	0.5
123.04401	0.9
123.08073	6.2
124.08516	0.3
127.07526	0.7
129.07011	0.9
132.05688	1.0
133.02831	1.6
137.02946	1.3
137.05986	1.1
137.08527	0.4
137.09613	11.5
142.03488	2.1
147.04413	20.2
147.08049	24.3
147.11661	0.9
148.04761	0.5
148.08408	0.7
160.04559	0.9
165.01860	0.5
165.05600	2.3
165.06877	0.7
165.09113	16.4
165.12776	1.9
166.08614	1.0
181.75162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
50.77707	0.3
53.03934	0.7
55.01882	1.2
55.05506	1.4
56.66996	0.3
56.96565	0.3
57.07074	0.5
57.15355	0.3
59.05009	0.4
62.46127	0.3
65.03939	3.2
66.04734	0.6
66.97857	0.3
67.05505	8.9
69.03432	0.8
69.07047	0.6
70.96762	1.0
72.02873	0.4
77.00904	0.4
79.05496	5.1
81.03422	0.7
81.07056	4.9
82.01453	0.9
83.01507	0.3
83.04974	0.3
91.05483	22.7
92.05842	0.5
93.03408	4.5
93.07046	9.9
95.04979	5.2
95.08609	5.9
100.02479	8.9
101.00863	1.6
101.02529	2.2
102.02236	0.9
103.05475	1.7
104.06259	0.9
105.03420	0.7
105.06310	0.6
105.07030	10.3
105.53461	4.7
105.76806	0.3
106.03528	1.4
107.04954	1.3
107.08592	3.0
109.06511	3.1
109.08585	0.3
109.10163	8.0
111.53430	0.4
114.53987	2.7
115.04023	0.4
115.05489	0.5
117.04248	2.2
117.07032	5.0
117.54346	0.9
118.03510	7.4
118.54223	1.1
119.01931	13.9
119.03638	1.9
119.04940	7.7
119.08582	100.0
120.02016	0.9
120.03275	0.9
120.08189	0.4
120.08916	2.8
121.06513	3.0
121.10153	2.8
123.04218	1.2
123.08073	5.9
124.02415	0.5
126.04756	0.6
127.07558	1.0
128.55029	0.7
129.05064	0.4
129.06982	0.7
130.56018	0.4
132.05716	1.2
133.04977	0.8
133.06494	0.4
133.10153	0.4
137.02969	7.9
137.05992	1.0
137.09621	12.1
138.02951	0.4
139.56589	0.3
141.05092	1.1
142.03496	13.4
142.05200	0.5
142.96674	0.8
143.03700	0.6
144.55823	0.6
147.04417	16.6
147.08049	24.9
147.11702	1.9
148.04791	0.7
148.08420	0.8
153.56369	0.4
156.06506	0.5
160.04565	5.1
161.04643	0.5
161.09616	2.8
163.11195	2.4
165.01836	0.4
165.04099	0.3
165.05359	2.8
165.09111	15.3
165.12759	3.9
166.05165	0.9
179.95294	0.3
183.06172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
53.03934	1.0
55.01866	1.7
55.05499	1.6
56.12901	0.4
56.18375	0.4
56.96561	1.0
57.03431	0.6
59.05005	0.5
59.33374	0.4
64.84813	0.4
65.03933	1.2
67.05167	0.8
67.05505	11.2
69.03432	1.9
69.07067	1.0
69.47239	1.3
69.47658	2.5
71.04988	0.5
72.50510	0.4
79.05491	4.9
81.03421	0.6
81.07057	6.8
83.04982	1.0
86.06063	0.7
88.10216	0.4
91.05483	31.4
92.05811	1.1
92.17946	0.4
93.07050	7.4
95.04964	6.1
95.08610	7.0
97.02891	0.9
98.06059	1.8
100.02499	0.7
101.00893	2.1
101.02567	1.7
102.02244	1.1
103.05473	2.0
104.06282	0.9
105.03388	0.5
105.06379	0.8
105.07037	10.4
107.04952	1.9
107.08596	3.4
109.06532	3.4
109.10158	9.9
115.05455	0.5
117.07016	5.2
118.03545	0.9
119.01924	19.4
119.03593	1.5
119.04945	27.2
119.08581	100.0
120.02062	1.5
120.03266	0.7
120.05257	0.9
120.08090	1.8
120.08917	3.1
121.06503	1.0
121.10152	3.2
121.52071	0.5
122.07284	0.5
123.04439	2.8
123.08063	6.2
123.11715	1.0
124.02442	1.1
124.07589	1.4
125.02335	0.8
125.67029	0.4
127.07565	0.7
129.06995	0.8
132.05687	1.0
133.02937	1.0
137.02969	10.9
137.05997	2.0
137.09619	14.5
137.10699	0.7
138.03081	1.0
140.48622	0.6
142.03496	17.0
142.96687	1.1
143.03679	0.6
147.04411	62.8
147.08046	25.2
147.11711	2.1
148.03754	0.4
148.04764	2.4
148.08347	1.1
160.04562	8.5
165.01836	1.3
165.05316	4.7
165.06866	0.9
165.09122	20.3
165.11334	0.8
165.12766	3.9
166.04965	2.1
183.06184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.06006	0.2
55.91243	0.2
56.05044	0.2
65.03941	1.0
68.05022	0.6
70.06598	0.4
71.11206	0.5
78.95853	0.3
80.05023	0.3
81.07081	0.3
82.06577	0.3
83.06097	0.6
85.07645	0.4
91.05486	16.5
95.04967	1.5
97.07654	0.3
101.00911	0.4
103.05473	0.3
107.06078	0.5
107.29935	0.2
109.07629	0.3
109.10207	0.2
119.01942	2.6
119.04951	40.5
119.08560	0.7
120.05271	1.0
120.08139	0.4
123.04427	2.2
124.08737	0.7
125.09563	0.4
137.02954	1.1
138.10271	0.3
142.03503	2.7
147.04419	100.0
148.04756	2.7
148.08682	0.5
160.04564	1.0
165.05502	2.3
165.09137	0.5
165.11424	1.4
165.12596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
50.09966	0.2
51.02382	0.2
53.03942	0.5
55.01881	1.2
55.05511	1.2
57.03444	0.4
57.07095	0.2
59.05003	0.6
62.04281	0.2
65.03949	0.9
66.97813	0.2
67.05508	8.9
69.03439	1.0
69.07076	0.6
70.06578	0.3
70.95784	0.7
71.35065	0.2
73.02913	0.3
73.51440	0.2
78.56485	0.2
79.05502	5.3
81.03436	0.7
81.04547	0.2
81.07060	6.4
81.07518	0.4
83.04984	0.5
83.06126	0.3
91.05486	23.7
92.05820	0.7
93.07047	9.4
94.07380	0.2
95.04968	4.2
95.08611	6.6
97.06547	0.3
101.00900	0.4
101.02558	0.5
103.05444	1.8
104.06262	1.1
105.03401	0.5
105.04494	0.3
105.07039	11.2
106.07286	0.3
107.04950	0.9
107.08590	2.6
109.06518	2.8
109.10163	8.5
110.10482	0.2
111.09172	0.4
115.05464	0.6
117.07033	5.2
119.01937	3.1
119.04955	10.3
119.08587	100.0
120.03308	0.3
120.08119	0.4
120.08897	3.1
121.06510	0.8
121.10154	6.7
122.07233	0.5
122.10529	0.3
123.04442	1.4
123.08082	6.7
123.11742	0.5
127.07558	0.9
128.06187	0.2
129.06987	0.7
132.05714	1.1
133.02832	0.8
137.03012	1.7
137.06003	1.1
137.09627	13.5
138.09975	0.5
142.03503	2.6
147.04419	23.0
147.08054	24.5
147.11717	1.6
148.04744	1.0
148.08488	1.0
160.04527	1.1
165.01833	0.4
165.05481	2.3
165.09119	16.5
165.11392	0.7
165.12747	3.4
166.05013	0.6
166.09601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.05494	0.7
65.03951	0.6
67.05496	0.4
69.07076	0.4
71.04985	0.8
71.10782	0.4
71.11126	0.7
79.05492	1.3
81.07052	1.0
91.05487	17.7
92.05818	0.4
93.07024	0.9
95.04975	1.8
95.08605	1.1
101.00833	0.4
105.07047	2.0
107.08594	1.0
109.06492	0.6
109.10158	0.5
119.01955	1.9
119.04953	38.7
119.08607	1.6
120.05296	0.6
120.08154	0.4
121.10139	0.8
123.04443	1.5
123.08085	0.9
123.11711	0.5
137.02957	0.9
137.05988	0.5
142.03510	1.6
147.04422	100.0
147.11673	1.0
148.04791	1.8
160.04596	0.7
165.05490	2.0
165.09113	0.8
165.11534	0.4
165.12798	1.7
167.23651	0.3
171.47156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61110	0.2
65.03938	0.9
66.84755	0.2
67.05513	0.4
70.73066	0.8
79.05479	0.4
81.07076	0.7
83.06136	0.3
91.05482	17.3
93.07035	0.4
95.04966	1.7
95.08617	0.6
105.07047	1.2
107.08554	0.3
109.06515	0.4
112.10306	0.2
119.01974	1.5
119.04944	42.0
119.08601	1.0
120.05304	1.0
121.10133	0.4
122.07172	0.3
123.04433	1.7
123.08105	0.3
133.02866	0.4
137.02963	0.7
137.06004	0.4
137.73851	0.3
142.03485	1.4
147.04411	100.0
147.11696	0.7
148.04752	2.6
148.08690	0.2
160.04578	0.7
165.05504	2.1
165.09166	0.4
165.11417	0.5
165.12775	0.9
166.08534	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.09566	0.2
51.11234	0.2
55.01888	0.4
55.05511	0.3
56.03216	0.2
56.05036	0.4
56.29400	0.2
56.96565	0.3
58.06598	0.3
59.00485	0.2
59.57311	0.2
65.03941	1.2
65.80575	0.2
67.05502	0.7
68.05026	0.8
68.53609	0.2
69.03428	0.4
69.04556	0.3
69.07067	0.3
70.06602	0.9
70.91145	0.4
70.91464	0.3
71.01415	0.2
79.05490	0.9
80.05019	0.6
81.04544	0.4
81.07050	0.8
82.06570	0.5
83.05679	0.2
83.06100	1.2
85.07660	0.6
91.05486	21.2
92.05821	0.4
93.07034	0.8
95.04973	2.2
95.06072	0.3
95.08604	0.8
96.44878	0.2
97.07642	0.7
97.54322	0.2
98.07192	0.3
100.02477	0.3
101.00887	0.8
103.05486	0.3
105.07049	2.1
107.04939	0.5
107.06069	0.7
107.08617	0.3
108.05567	0.2
109.06540	0.6
109.07661	0.7
109.10159	0.7
111.09209	0.3
114.94701	0.2
119.01938	6.8
119.04947	42.7
119.08584	2.8
120.05321	0.9
120.08061	0.7
121.07652	0.5
121.10131	0.3
122.07162	0.8
123.04448	2.0
123.08052	1.3
124.08737	1.2
125.09519	0.7
133.02853	0.7
133.06430	0.5
136.08748	0.2
137.02988	2.9
137.05972	1.0
137.09618	1.0
138.10240	0.5
142.03500	4.5
145.92651	0.3
147.04414	100.0
147.11659	0.6
148.04759	1.8
148.08633	1.1
160.04565	2.1
165.01808	0.5
165.04311	0.2
165.05516	2.3
165.07843	0.3
165.09111	1.6
165.11372	2.2
165.12744	0.8
166.04970	0.3
183.06149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03950	0.5
54.03464	0.4
55.01866	0.6
55.02982	0.4
56.01389	0.7
60.23346	0.3
63.67987	0.3
65.03947	1.1
67.05507	1.2
68.05000	0.4
69.03431	0.7
69.82696	0.3
70.84455	0.7
73.52824	0.3
79.05482	0.8
81.03416	0.4
81.04546	0.4
81.07053	1.5
82.04068	0.3
82.05318	0.4
83.02469	7.6
83.04971	0.3
83.06110	2.0
91.05481	26.8
92.05809	0.4
93.07039	1.6
95.04967	2.6
95.06110	0.3
95.08624	1.9
105.07050	1.5
107.06083	0.8
107.08595	0.5
109.06534	0.6
109.10159	1.3
111.04444	0.3
111.09195	0.3
119.01991	1.5
119.04944	54.7
119.08568	3.5
120.05290	1.1
121.10114	0.8
122.07151	1.1
123.04436	2.2
123.06664	0.8
123.07967	6.4
124.05058	1.9
124.07405	0.4
124.07824	0.5
124.08717	5.5
133.02840	1.2
137.02924	1.0
137.05984	0.7
137.09616	0.8
138.06564	0.3
142.03500	2.1
147.04408	100.0
147.08031	1.6
147.11713	0.8
148.04776	2.6
148.08661	0.9
160.04526	1.1
165.01831	1.0
165.05486	2.5
165.07726	0.6
165.09035	2.1
165.11354	2.6
165.12791	1.1
166.09726	0.5
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	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
53.03925	1.3
54.03458	2.1
56.01390	1.3
56.05036	5.1
57.04602	0.9
58.06586	2.9
59.06114	2.6
65.03923	1.3
67.05494	1.0
68.05030	6.6
69.03449	0.9
69.04526	1.3
70.06598	3.8
71.06107	1.9
71.50150	1.0
71.50493	1.7
72.46769	0.7
79.05479	1.1
80.05013	1.7
81.04539	9.1
81.07033	1.5
82.04851	0.9
82.06566	4.6
83.02468	19.4
83.05625	1.3
83.06103	19.3
84.05633	1.0
84.06877	1.9
85.07674	5.2
91.05486	22.1
93.07047	0.7
95.04957	2.3
95.06086	5.1
95.08623	1.0
96.05634	1.0
97.06355	1.2
97.07656	9.2
98.07176	7.0
99.09184	1.5
105.06970	1.1
107.06083	6.7
108.05630	1.1
108.06793	1.2
109.06479	1.3
109.07648	5.6
109.10170	0.9
110.07146	3.7
111.07992	4.5
111.09190	4.4
112.08698	1.5
118.27576	0.9
119.01910	1.5
119.04945	54.9
119.08551	1.5
120.05353	1.0
121.07633	4.6
122.07167	12.6
123.04430	2.0
123.05520	1.1
123.06674	3.6
123.07968	11.2
123.09173	5.6
124.05100	6.2
124.08711	30.4
125.09506	8.0
133.02814	1.3
136.08733	2.8
137.05989	1.0
137.08240	1.1
137.09479	1.5
138.06662	1.3
138.10297	7.4
141.56206	0.8
147.04413	100.0
148.04836	1.8
148.08690	12.7
165.05429	2.8
165.07852	4.8
165.09093	3.6
165.11360	45.8
166.09709	1.3
166.13361	0.9
179.84224	0.8
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	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03944	0.3
54.90107	0.2
55.05515	0.5
56.05040	0.3
65.03933	0.9
67.05509	1.1
68.05019	0.4
69.03415	0.6
69.07056	0.5
70.06585	0.5
79.05492	1.0
80.05018	0.3
81.04543	0.3
81.07055	1.2
82.06606	0.2
83.04955	0.4
83.06104	0.7
85.02906	0.4
91.05483	20.7
92.05812	0.4
93.07042	1.1
95.04967	1.9
95.08614	1.1
97.07674	0.4
98.07167	0.2
98.20753	0.8
101.00876	0.3
101.02549	0.3
103.05475	0.5
105.07028	1.5
106.47676	0.2
107.04930	0.3
107.06083	0.6
107.08606	0.7
109.02850	0.4
109.06509	0.9
109.07671	0.4
109.10139	1.0
111.09220	0.4
111.74541	0.2
117.07015	0.3
119.01942	3.7
119.04942	43.3
119.08577	3.2
120.05341	0.5
120.08112	0.6
121.06551	0.3
121.07617	0.4
121.10141	0.9
122.07170	1.3
123.04428	1.4
123.08059	1.3
124.08745	1.1
125.09489	0.3
133.02846	0.9
137.02974	1.9
137.05963	1.1
137.09605	1.6
138.10252	0.3
142.03499	3.0
142.23270	0.2
147.04408	100.0
147.11700	0.8
148.04755	2.3
148.07629	0.3
148.08640	1.2
160.04579	1.4
163.20436	0.2
165.01840	0.8
165.04256	0.2
165.05515	2.8
165.07698	0.6
165.09073	2.1
165.11357	2.0
165.12746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95631	1.0
53.03949	0.9
55.01872	1.3
55.05516	1.4
65.03952	1.8
67.05508	6.0
69.03432	2.3
69.07067	1.9
79.05497	3.7
81.03423	1.2
81.07053	9.1
82.99854	1.1
83.08646	0.9
85.02888	1.3
88.65204	0.9
91.04964	1.8
91.05482	25.3
93.07056	4.4
95.04968	11.9
95.08599	10.6
95.58867	0.9
100.02493	3.3
101.00872	8.6
101.02598	4.2
102.02235	1.6
105.07027	6.7
106.15030	0.9
107.08597	8.1
109.06521	4.7
109.10163	7.4
118.03514	2.4
119.01925	91.7
119.03634	3.9
119.04938	40.7
119.08583	22.7
120.02013	3.3
120.05223	1.1
121.10144	3.6
123.04430	3.0
123.08083	3.5
123.11737	2.1
124.02499	3.3
124.04066	1.1
133.02905	1.6
137.02963	53.3
137.05975	3.4
137.07045	1.2
137.09615	5.7
138.03047	2.0
142.03499	88.0
142.96716	4.0
143.03705	3.3
147.04410	100.0
147.08072	8.8
147.11661	6.8
148.04797	2.0
149.82661	0.9
160.04555	43.1
161.04695	2.1
165.01869	1.7
165.05168	26.1
165.06784	1.6
165.09097	10.0
165.12759	14.3
166.05164	1.5
166.08635	1.3
169.13947	1.1
183.06142	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	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67432	0.8
65.03948	1.5
67.05476	0.8
67.09735	0.8
69.58719	0.8
71.10236	2.0
71.10581	1.6
76.10423	0.8
79.05494	1.2
81.07053	2.4
85.89161	0.8
87.03133	0.8
87.48042	0.9
91.05484	20.0
93.07038	2.9
93.71484	0.8
95.04984	2.4
95.08601	3.2
100.02460	1.6
101.00876	12.0
101.02605	1.3
102.10859	0.8
105.07030	2.8
107.08605	1.5
109.10156	2.3
118.03534	1.3
119.01923	79.7
119.04944	41.8
119.08586	5.7
120.02029	2.7
121.10167	1.4
123.04439	1.7
123.08093	1.7
123.11703	1.0
124.02444	3.8
137.02957	34.7
137.09650	1.3
138.03128	1.2
142.03499	74.1
143.03532	1.9
147.04410	100.0
147.08054	2.5
147.11684	1.5
148.04730	2.4
160.04558	33.6
165.01814	1.3
165.05136	11.9
165.09076	3.0
165.12791	3.5
183.06172	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00636	0.4
71.09888	0.6
71.10204	0.4
82.01428	0.5
82.99845	1.0
92.85889	0.3
92.86497	0.4
100.02486	1.4
101.00875	17.0
101.02545	0.5
102.00939	0.6
114.90047	0.3
118.03521	0.8
119.01919	100.0
120.02010	3.6
124.02423	4.5
137.02951	38.2
138.03105	1.2
142.03496	86.8
143.03630	3.7
160.04555	32.9
161.04715	1.7
165.05074	3.4
183.06180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76584	0.5
56.05039	1.1
56.96552	1.1
58.94580	0.5
59.36612	0.5
60.02985	0.5
69.03451	0.5
70.41462	2.2
74.02438	0.7
77.94233	0.6
78.23446	0.5
82.99835	0.9
85.02879	0.6
91.05491	0.8
95.04965	1.6
96.24654	0.7
100.02480	1.7
101.00877	15.7
101.02547	1.3
102.01026	0.7
102.02248	0.8
102.05527	1.3
103.05878	1.3
118.03508	0.9
119.01915	100.0
119.04912	1.7
120.01975	3.7
120.08072	0.9
123.04425	2.5
123.53589	1.0
124.02419	4.6
133.03539	0.7
135.97916	0.5
137.02951	38.0
137.56364	0.6
138.03058	1.8
142.03493	82.5
143.03638	2.8
147.04390	2.9
160.04550	32.7
161.04715	1.5
165.05165	2.8
183.06189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.5
70.83208	1.6
72.40554	0.5
74.76536	0.5
80.94957	0.7
82.99830	1.2
91.05476	0.7
100.02477	1.8
101.00874	18.0
102.00977	0.8
118.03519	0.7
119.01917	100.0
120.02020	3.4
122.76047	0.4
123.04426	0.5
124.02435	3.6
137.02954	35.4
138.03001	1.0
142.03496	73.3
143.03627	3.2
147.04376	2.5
156.83942	0.5
160.04555	27.7
161.04776	1.0
165.05106	2.8
170.84795	0.4
174.19276	0.5
183.06190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47921	0.1
51.22929	0.1
55.02807	0.1
58.99831	0.4
59.12108	0.1
60.00381	0.1
60.00667	0.2
65.00903	0.1
65.01206	0.2
69.79844	0.3
77.00917	0.1
78.95271	0.1
82.01443	2.2
82.99808	1.2
83.01528	0.1
83.02235	0.1
87.81590	0.1
91.05495	0.1
98.20770	0.1
100.02485	14.1
101.00874	16.3
101.02532	0.5
113.53223	0.1
116.98804	0.1
118.03529	8.6
119.01920	100.0
120.02455	0.1
121.02382	0.4
123.04059	0.9
124.02435	5.0
133.03441	0.1
133.52966	0.1
136.04550	0.5
137.02956	37.9
138.03479	0.1
139.03365	0.2
141.05066	1.1
142.03499	90.2
143.03983	0.1
144.03949	0.2
147.04355	0.1
156.05043	0.1
159.06197	0.4
160.04555	33.7
165.05107	4.1
166.05420	0.1
183.06161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	52.4
57.03434	2.3
66.93543	2.0
68.02637	1.9
69.03441	2.1
70.80064	1.4
71.48502	2.1
73.02927	2.5
74.02448	16.8
74.06094	21.4
77.00935	1.5
79.51932	3.3
81.03410	4.6
82.99791	1.5
84.04509	7.0
85.02898	4.3
86.03663	2.0
87.28355	1.4
88.02698	2.0
91.05447	1.4
91.74618	1.6
93.53479	2.2
99.53472	3.1
100.02507	12.2
101.00903	11.4
102.05546	77.0
104.52680	2.2
109.02879	3.2
111.02917	1.5
113.53201	7.0
114.97189	1.5
118.01141	3.0
118.03536	8.7
119.01922	100.0
119.04906	2.3
122.53745	12.4
123.03834	1.7
123.53602	2.1
124.02428	2.4
131.54248	8.5
132.04263	1.6
137.02963	43.5
140.54730	4.3
141.02722	4.7
142.03508	80.9
143.05049	1.8
147.04436	8.7
160.04567	34.6
160.85820	1.5
165.05148	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01602	0.7
51.56028	0.6
53.03947	7.3
55.01870	0.7
55.05500	3.5
56.96551	0.9
57.03431	1.1
57.07076	3.9
57.07299	0.7
61.02893	0.8
65.03922	1.4
67.05493	4.0
69.03419	1.8
69.06727	1.0
69.07070	15.4
69.88704	2.1
69.89117	2.1
71.08624	1.4
77.03902	1.3
79.05491	18.3
81.03419	1.3
81.07058	26.6
81.60619	0.7
82.01433	1.3
83.08628	4.7
85.02886	1.1
85.75522	0.7
89.06021	1.4
91.05481	10.5
92.02599	2.7
93.07043	28.4
95.04971	14.5
95.08611	16.4
95.09219	0.5
96.05264	0.8
100.02470	9.0
103.05476	5.4
105.03397	10.8
105.04504	2.7
105.07044	7.5
107.04949	3.3
107.08593	76.5
108.08913	2.3
109.06552	1.6
115.05442	1.4
116.98615	0.7
117.07008	6.1
118.03516	9.0
119.04902	1.1
119.08587	3.8
121.06484	3.6
121.10140	28.4
122.10466	1.2
123.04043	1.5
123.85625	0.8
128.02341	1.1
130.07826	0.8
131.04936	7.9
132.08116	1.1
133.02853	22.5
134.03214	1.7
135.04425	20.4
135.08011	4.2
135.11691	11.9
136.04781	1.2
136.07547	0.9
138.03096	1.0
139.53101	0.7
141.05116	2.1
145.06418	3.5
145.10114	5.8
163.03909	100.0
163.07532	7.4
163.11183	15.9
163.14827	55.6
164.04338	5.1
164.07048	2.0
164.10628	0.7
164.15216	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02385	1.2
51.59930	0.5
53.03953	3.0
54.03468	1.6
55.01875	2.6
55.05511	8.6
56.05038	1.1
56.96571	1.0
57.03436	3.5
57.07077	8.4
58.06618	0.5
59.04995	1.8
61.02918	0.8
62.93002	0.6
65.03937	1.8
66.74292	0.5
67.05496	5.5
68.05032	1.7
69.03432	6.1
69.07069	31.8
71.04980	1.0
71.08649	0.9
71.26106	1.1
73.02912	1.0
74.06081	0.6
77.03933	1.6
79.05494	22.7
80.05026	1.7
81.03424	2.8
81.04547	3.2
81.06587	0.8
81.07058	13.8
82.05338	1.9
82.06583	1.0
83.04980	1.1
83.06093	1.5
83.08620	7.8
85.02911	3.3
89.03921	11.9
89.06036	2.3
91.05478	20.1
92.02625	1.8
92.05806	1.1
93.04592	0.7
93.07046	41.9
94.06596	0.7
95.04974	13.6
95.06071	4.2
95.08607	11.6
96.06866	1.3
97.02901	1.5
97.07653	1.7
98.97543	0.8
99.04440	0.9
100.02490	4.7
101.09645	0.7
103.05470	38.5
104.05804	1.5
105.03398	3.1
105.04502	3.3
105.07031	26.1
106.06554	1.4
106.07310	1.0
107.04964	12.3
107.06104	2.0
107.08593	100.0
108.05614	3.3
108.08159	1.1
108.08936	2.6
109.06517	4.1
109.07645	2.0
109.10153	2.2
115.05489	3.3
117.03383	8.4
117.05760	1.0
117.07021	11.7
118.03510	4.8
118.06570	5.0
118.07369	1.2
119.01768	1.0
119.04964	1.4
119.06054	2.0
119.08585	11.4
120.05634	2.9
120.08111	0.8
120.09355	0.6
120.97926	0.6
121.06519	7.6
121.10144	72.1
121.96652	0.9
122.07151	7.5
122.09675	1.2
122.10498	2.1
123.04389	0.6
123.08003	5.8
127.03864	1.0
127.07558	0.8
128.02271	1.2
128.06151	0.7
129.07030	1.2
130.06566	1.4
130.07793	7.2
131.04930	51.6
132.05276	2.5
132.08092	2.2
133.02858	11.9
133.06468	0.7
133.10141	2.1
133.89067	0.6
135.04424	32.8
135.08064	7.6
135.11696	31.6
136.04776	2.3
136.07568	4.9
136.08699	5.9
136.12012	1.0
138.98941	0.9
139.96817	0.6
143.08563	1.4
145.02849	8.1
145.03973	1.3
145.06514	5.1
145.10124	32.9
146.06068	1.0
146.07120	3.2
146.10448	2.0
147.08028	1.3
148.05124	0.6
148.08818	1.5
149.09558	0.6
163.03911	90.3
163.07552	27.7
163.09802	13.5
163.11188	43.5
163.12332	3.3
163.14821	40.3
163.16272	0.8
164.03230	1.5
164.04514	4.2
164.06963	7.0
164.08167	2.0
164.10475	1.1
164.11584	2.3
164.15208	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
53.03945	1.7
55.01868	1.0
55.05510	5.6
57.07067	1.9
67.05502	4.0
69.03426	1.1
69.07070	19.3
71.49676	0.8
77.03905	0.6
78.54493	0.6
79.05494	14.5
81.07058	24.5
83.08625	5.4
91.05477	9.3
93.07046	37.7
95.04969	4.6
95.08607	22.2
96.08933	0.7
97.10217	0.7
103.05479	2.1
105.03391	0.9
105.04529	0.8
105.07033	7.6
107.04964	1.6
107.08594	100.0
108.08934	1.4
109.06531	2.5
109.10151	1.8
113.97878	0.6
114.61511	0.6
115.05440	1.0
117.03396	0.7
117.07018	4.7
119.06078	0.8
119.08601	3.5
121.06487	1.9
121.10145	33.1
122.10489	0.7
123.08039	0.6
130.07785	0.9
131.04939	2.9
133.02856	3.5
133.10152	0.8
135.04413	4.3
135.08067	2.5
135.11688	13.9
145.06490	2.3
145.10124	5.4
155.34831	0.6
158.13379	0.7
161.13321	0.8
163.03917	20.6
163.07578	4.8
163.11195	16.1
163.14822	71.7
164.04308	1.1
164.11656	0.7
164.15204	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03944	4.9
55.01865	1.1
55.05508	5.1
56.96563	1.5
57.03419	0.7
57.07055	1.8
57.90474	0.6
58.97493	0.7
65.03918	0.7
67.05502	3.9
69.03431	1.6
69.07067	13.1
71.47395	0.8
71.47718	0.7
77.00874	0.5
77.03927	1.8
79.05489	18.4
80.12934	0.6
81.03391	0.6
81.07051	21.6
82.01453	0.5
83.04966	0.7
83.08624	4.7
85.02913	1.0
85.11732	0.6
89.03911	8.2
89.79452	0.6
90.04213	0.5
91.05478	9.0
92.02615	1.8
93.07037	23.2
93.07624	1.2
95.04967	11.5
95.08603	15.7
96.05225	0.5
97.11059	0.5
98.97590	1.1
100.02472	11.4
100.60040	0.5
103.05467	9.0
105.02175	0.7
105.03407	3.8
105.04505	2.4
105.07039	5.3
107.04377	0.6
107.04974	5.5
107.08590	65.4
108.08913	1.9
109.06499	1.4
109.10119	0.9
115.05363	0.8
117.03381	7.9
117.07011	1.9
118.03515	9.8
118.29656	0.5
119.01804	1.0
119.04952	1.1
119.06056	0.8
119.08559	3.3
119.30830	0.6
121.06487	2.2
121.10141	21.1
122.10478	0.7
123.04057	2.0
123.08087	0.7
128.02335	1.4
130.06511	0.7
130.07738	0.9
131.04929	13.2
132.05247	0.7
132.08060	0.8
133.02850	17.7
134.03172	0.6
135.04413	34.4
135.08018	1.3
135.10686	1.0
135.11668	11.2
136.04747	1.1
138.03177	0.7
139.53036	1.0
141.05122	1.9
145.02859	6.1
145.03951	0.7
145.06462	1.7
145.10112	3.6
161.13222	0.6
163.03896	100.0
163.07524	5.1
163.11159	9.5
163.14815	50.5
164.04298	6.9
164.07002	1.2
164.15141	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02384	0.6
53.03954	4.6
53.80639	0.5
55.01871	1.4
55.05516	8.4
57.03433	0.8
57.07073	2.1
61.02926	1.2
65.03959	0.8
67.05508	5.8
69.03433	2.1
69.07071	20.5
71.50921	1.1
75.71904	0.5
77.03934	0.7
79.05495	20.4
81.03407	1.1
81.07060	26.5
82.01441	0.6
82.76981	0.5
83.04996	1.1
83.08623	5.2
85.02906	0.6
89.06030	0.7
91.05486	13.3
92.02630	2.1
93.07049	38.0
94.07378	1.3
95.04981	11.7
95.08610	21.3
100.02483	7.1
103.05468	8.9
105.02796	0.5
105.03392	3.2
105.04516	2.2
105.07038	9.2
106.06586	0.6
106.07293	0.6
107.04972	4.3
107.08600	100.0
108.08880	2.7
109.06526	3.0
109.10186	1.4
115.05431	0.9
117.07017	4.2
118.03513	6.4
119.08588	5.1
121.06527	3.2
121.10152	37.5
122.10498	0.7
123.04109	0.7
130.07808	1.9
131.04926	9.8
133.01828	0.9
133.02855	15.3
134.03169	0.9
135.04428	14.0
135.08009	2.4
135.11702	20.1
136.04741	0.7
136.12047	1.3
141.05116	0.9
145.02852	0.6
145.06506	2.1
145.10139	11.7
152.72197	0.6
161.13235	1.0
163.03918	66.7
163.07567	5.4
163.11201	16.3
163.14833	75.3
164.04358	4.1
164.07001	0.6
164.15181	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	163.148
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
51.02383	0.4
53.03943	1.5
55.01873	2.1
55.05511	8.0
57.07080	1.9
65.03931	0.5
67.05508	3.6
69.03426	2.9
69.07066	17.4
70.18386	0.3
71.08643	0.4
71.60985	0.6
79.05494	13.8
81.07056	19.6
82.07362	0.4
83.04953	1.7
83.08619	4.6
89.72299	0.3
91.05481	10.9
92.05795	0.6
93.07042	38.4
94.07387	1.1
95.04973	3.6
95.08607	20.0
103.05472	0.8
105.04456	0.5
105.07033	10.3
106.07337	0.5
107.04938	1.2
107.08593	100.0
108.08907	3.0
109.06509	3.5
109.10185	1.6
115.05468	0.6
117.07021	4.0
117.81776	0.4
119.06062	0.9
119.08591	5.9
120.08807	0.4
121.06511	5.4
121.10142	34.2
122.10523	0.7
123.08090	1.0
123.94363	0.3
129.07027	0.5
130.07774	2.7
131.04936	0.8
133.02882	1.1
133.10141	0.6
135.04407	1.1
135.08078	2.0
135.11688	39.1
136.12047	0.9
143.08607	0.5
145.06502	1.4
145.10120	20.4
146.10432	1.5
157.88783	0.4
161.13248	0.5
163.03893	5.9
163.07545	2.0
163.11197	17.9
163.14822	62.4
164.11528	1.2
164.15186	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
52.08336	0.4
53.03953	3.0
55.01869	1.6
55.05505	6.4
57.07070	1.7
65.03963	0.6
67.05511	3.2
69.03427	2.6
69.07067	19.7
69.89460	3.0
71.82541	0.5
72.93777	0.9
77.03921	0.6
79.05493	15.5
81.07053	20.3
82.07375	0.9
83.04988	1.8
83.08144	0.7
83.08614	4.5
89.06044	0.6
91.05475	12.9
92.02633	0.9
93.07043	40.2
94.07357	1.2
95.04971	6.4
95.08608	18.6
103.05470	4.1
105.03382	1.6
105.04546	1.3
105.07024	11.2
106.07366	0.4
107.04945	1.7
107.08593	100.0
108.08910	2.9
109.06528	2.7
109.10179	1.4
113.96452	0.6
115.05447	1.2
117.07049	4.9
119.06091	0.6
119.08575	6.0
121.06499	4.7
121.10143	34.8
122.10471	1.2
123.08073	0.8
130.07806	3.4
131.04926	5.5
131.97418	0.7
133.02863	9.5
135.04402	8.8
135.08076	2.7
135.11693	35.0
136.12013	1.4
143.08549	0.6
145.06468	2.4
145.10123	19.2
146.10486	0.8
154.99088	0.6
161.13255	0.6
163.03906	42.2
163.07570	4.0
163.09828	1.1
163.11195	16.9
163.14824	70.7
164.04414	2.4
164.11560	0.9
164.15176	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	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.5
54.24568	0.3
55.01871	1.8
55.05511	7.9
56.05814	0.3
57.07082	1.7
58.42294	0.3
59.72863	0.3
65.03943	0.7
67.05509	3.8
69.03425	2.9
69.07072	19.2
71.60925	0.4
72.93780	0.4
77.03918	0.6
79.05498	14.9
81.07062	19.6
82.07408	0.7
83.04992	1.7
83.08627	4.1
91.05487	13.7
92.02635	0.4
92.05814	0.5
93.07049	41.8
94.07390	1.1
95.04971	5.3
95.08612	18.6
99.50389	0.4
100.02605	0.3
103.05488	2.6
105.03404	0.9
105.04527	0.8
105.07037	12.5
106.07352	0.5
107.04971	1.8
107.08600	100.0
108.08885	2.7
109.06527	2.9
109.10160	1.3
115.05453	1.9
117.07029	6.2
119.06062	1.0
119.08585	6.9
121.06525	5.3
121.10150	34.7
122.10518	0.9
123.08093	0.5
126.12241	0.4
129.07039	0.4
130.07797	2.8
131.04926	1.8
133.02858	3.5
133.10165	0.6
134.03131	0.4
135.04422	5.3
135.08076	2.5
135.11703	32.1
136.12071	1.1
143.08556	0.9
145.06468	2.8
145.10132	20.8
146.10477	0.8
163.03923	21.6
163.07558	5.1
163.11203	19.9
163.14830	56.8
164.04323	1.0
164.07007	0.5
164.11549	1.6
164.15207	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
53.03941	4.3
55.05510	4.3
57.03422	1.1
57.07066	2.5
65.03912	1.2
67.05502	4.0
69.03410	0.8
69.07071	23.6
71.57574	0.8
71.57935	0.9
73.02876	0.8
77.03925	1.7
79.05058	1.3
79.05493	14.5
81.07056	22.9
82.01436	0.9
83.08626	6.2
89.03899	1.9
91.05479	7.9
91.52798	0.7
92.02625	1.5
93.07040	35.5
94.07339	1.2
95.04974	9.3
95.08607	18.5
96.08989	0.8
100.02492	8.7
103.05445	4.5
105.03375	3.0
105.04505	1.0
105.07043	5.1
107.04940	3.8
107.08594	82.6
108.08897	1.5
109.06503	1.3
109.10154	1.7
116.98606	0.8
117.03387	2.4
117.07010	2.2
118.03515	6.4
119.01759	0.9
119.04917	2.9
119.08584	2.3
120.04580	0.7
121.06512	1.8
121.10141	29.5
123.04086	1.2
131.04912	7.7
133.02858	13.4
133.10059	0.7
134.03235	0.7
135.04411	17.7
135.08017	0.8
135.11693	12.0
136.04767	1.3
138.03210	0.7
145.02850	2.1
145.06462	1.4
145.10118	3.5
161.13208	0.9
163.03908	74.4
163.07484	6.1
163.11174	9.0
163.14819	100.0
164.04324	4.4
164.07048	0.8
164.15227	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02372	0.8
53.03950	2.3
54.03463	0.5
55.01876	1.8
55.05507	2.3
57.03442	1.9
57.07074	1.1
63.06804	0.5
65.03948	0.9
67.05495	1.4
69.03432	6.9
69.07074	2.3
71.04996	2.0
71.58778	0.6
77.03892	0.6
79.05495	10.0
81.03409	1.1
81.04542	0.7
81.07063	10.4
83.04981	2.2
85.02924	0.8
86.65831	0.4
88.96964	0.5
89.03916	2.9
89.06059	0.8
91.05484	11.5
93.07053	18.3
95.04974	8.9
95.06090	1.2
95.08589	1.0
96.06864	0.8
99.04453	0.8
100.02478	1.0
103.05473	81.6
104.05811	2.4
104.32413	0.6
105.03429	1.0
105.04521	1.9
105.07034	15.8
106.07363	0.5
107.04963	14.3
107.07860	1.2
107.08595	20.7
108.05627	0.8
108.08910	0.6
109.06522	1.8
111.01797	0.5
115.05473	2.0
117.03381	2.3
117.07035	7.2
118.03510	1.2
119.04975	0.8
119.06074	0.8
119.08593	8.9
120.05668	1.4
121.06510	6.6
121.10150	23.8
121.96713	1.3
122.07197	2.1
122.10509	0.8
123.08024	1.8
128.06229	0.7
129.07021	0.8
130.06752	0.8
130.07797	5.1
131.04933	100.0
132.05260	3.0
133.02861	3.4
133.06485	1.6
133.10156	1.6
135.04434	9.3
135.08066	5.3
135.11703	11.5
136.07591	1.3
136.08679	1.3
143.08556	1.2
145.02895	1.7
145.06473	1.6
145.10135	29.0
146.07179	0.6
146.10567	0.8
147.08087	1.1
148.05200	0.7
148.08844	1.4
163.03923	24.5
163.06116	1.1
163.07553	32.1
163.09846	3.9
163.11176	57.0
163.14844	2.3
164.04367	0.9
164.08061	0.7
164.11569	1.2
178.53925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03942	7.1
55.01856	6.3
55.05499	6.2
57.07058	1.8
61.96881	1.7
65.19644	1.5
67.05500	6.5
69.03401	2.4
69.07066	2.7
70.49746	4.5
79.05073	2.4
79.05508	31.4
80.41625	1.5
81.03431	2.0
81.07063	39.5
85.02907	4.4
89.03923	23.9
91.05479	15.2
93.07052	49.5
95.04978	11.5
95.06093	1.7
95.08594	2.5
99.04440	3.7
100.02486	4.1
103.03928	6.2
103.05476	31.5
105.03416	2.5
105.04504	3.0
105.07034	19.4
107.04964	12.3
107.08601	28.1
109.06524	11.0
115.05448	2.3
116.03677	1.8
117.03393	19.9
117.07028	11.5
119.08589	23.4
121.06495	7.8
121.10155	47.9
122.07157	3.7
123.07995	2.8
127.03922	3.3
127.07590	12.5
130.07788	6.3
131.04932	45.0
133.02847	7.4
135.04437	50.0
135.08052	10.1
135.11713	9.3
143.08563	3.6
145.02867	21.3
145.06482	4.3
145.10132	69.2
163.03917	77.8
163.07565	19.1
163.09860	5.1
163.11188	100.0
163.14830	5.5
164.04378	3.2
164.11528	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	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
53.03949	3.6
55.01864	5.1
55.05507	4.7
57.03443	0.9
57.07065	2.6
65.03938	1.6
65.81334	0.7
67.05507	8.4
68.05006	1.1
69.03438	4.7
69.07050	1.9
69.58917	5.0
71.04983	0.9
77.03904	1.5
79.05492	29.8
80.05831	0.8
81.03401	1.0
81.04527	1.1
81.07056	41.1
82.05303	0.8
83.04987	0.9
83.08607	0.8
85.02883	2.5
89.03484	0.8
89.03921	8.2
89.06017	0.8
91.05482	14.8
93.03405	1.2
93.07044	49.0
95.04971	13.7
95.06067	2.0
95.08611	1.5
97.02844	1.2
97.06501	1.5
98.21530	0.7
99.04424	1.2
100.02472	2.5
103.03980	0.8
103.05466	25.1
104.05801	1.3
105.03387	1.8
105.04501	1.9
105.07027	19.5
107.04961	17.1
107.06075	1.0
107.08597	22.2
108.05599	1.1
109.06523	15.0
115.05437	2.0
117.03378	9.4
117.07032	11.5
118.03521	1.6
119.01874	0.7
119.04948	1.2
119.06029	0.7
119.08583	23.2
120.05637	1.6
121.06496	5.3
121.10142	51.7
122.07121	2.7
122.10450	1.5
123.07973	2.7
123.40780	0.6
127.07551	14.0
128.06204	0.9
129.06964	0.8
130.07787	6.3
131.04927	31.5
132.08067	0.8
133.02847	6.8
133.06468	2.2
135.03386	1.5
135.04420	26.5
135.08041	9.0
135.11705	7.8
136.04784	1.1
136.07591	14.1
136.08638	2.0
143.08546	2.8
145.02850	8.0
145.03893	1.2
145.06459	2.3
145.10124	75.1
146.07037	1.0
146.10416	2.5
147.08002	1.3
148.05191	1.9
148.08798	1.5
163.03912	53.0
163.07547	19.6
163.09885	5.2
163.11169	100.0
163.14850	2.4
164.04298	2.2
164.06972	3.5
164.11591	3.2
164.69362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03938	3.4
54.44376	0.7
55.01870	4.7
55.05505	2.6
58.97177	0.8
63.02372	1.3
65.03946	1.1
67.05502	5.7
69.03423	2.6
69.07066	1.6
69.58485	5.4
71.04975	0.9
77.03917	1.0
79.05492	27.6
80.05807	1.0
81.07056	28.6
83.04937	1.0
85.02904	3.2
89.03917	53.7
90.04242	2.1
91.05480	9.0
93.03412	1.0
93.07043	36.2
95.04971	11.0
95.08608	2.0
98.20751	1.6
103.05468	10.3
105.04531	1.1
105.07021	10.7
107.04958	14.1
107.08593	12.2
109.06529	10.4
117.03378	47.1
117.07010	7.3
118.03655	1.6
119.08580	16.2
121.06490	3.8
121.10143	38.3
122.07140	1.6
122.10465	0.9
123.08044	1.2
127.07556	8.7
130.07765	5.7
131.04013	1.3
131.04927	14.6
133.02821	2.4
133.06493	1.4
135.04414	87.4
135.08018	4.4
135.11713	4.8
136.04761	3.7
140.85023	1.0
143.08546	1.6
145.02846	39.3
145.10121	52.6
146.03169	1.6
146.10443	1.9
147.08014	1.0
148.08804	1.3
163.03903	100.0
163.07501	4.8
163.11176	58.8
163.40573	0.9
164.04248	3.4
164.11516	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01624	0.4
51.02375	0.6
53.03945	2.6
54.03459	0.4
55.01876	2.3
55.05504	1.6
56.05019	0.5
56.96554	0.9
57.03431	1.6
57.07066	1.1
61.02925	0.5
63.02402	0.4
65.03946	1.1
67.05508	1.1
68.05017	1.4
69.03434	1.9
69.04546	0.3
69.07056	1.1
69.66075	2.7
71.02090	0.3
71.04980	0.5
73.02901	0.4
74.06051	0.4
77.03930	1.1
79.05492	13.9
80.05016	1.0
80.93073	0.4
81.03416	1.0
81.04526	1.7
81.07060	1.8
82.05312	1.0
83.06092	1.0
83.08622	0.9
85.02907	1.7
89.03922	6.6
89.06018	1.1
90.04261	0.5
91.05481	12.9
92.01309	0.5
92.02606	0.6
92.06274	1.7
93.07050	5.8
95.04972	8.2
95.06059	2.3
95.08601	1.4
97.02923	0.5
97.07653	0.8
98.97551	0.4
99.04462	0.8
100.02455	2.1
102.04679	1.1
103.05467	75.4
104.05833	2.0
105.03380	1.2
105.04536	2.1
105.07030	11.1
106.06573	0.4
106.07354	0.5
107.04955	100.0
107.08592	7.5
108.05345	2.5
108.43291	0.3
109.06529	1.2
109.07622	0.7
115.05459	9.7
116.98628	0.4
117.03378	6.8
117.05709	0.5
117.07011	5.8
118.03518	1.4
118.06543	1.5
119.04972	1.7
119.06096	0.9
119.08592	2.4
120.05704	9.1
121.02887	0.5
121.06535	2.9
121.10144	3.7
121.96664	0.8
122.07143	4.0
123.07971	2.5
128.02277	0.4
130.04140	1.6
130.06511	1.0
130.07744	0.7
131.04927	74.3
132.05272	2.7
132.08092	1.1
133.02855	4.5
133.06493	3.0
135.04424	19.7
135.08051	21.9
135.11655	2.6
136.04770	0.8
136.07526	1.2
136.08640	3.2
139.01773	0.5
140.69933	0.3
145.02867	6.1
145.03954	0.5
145.06488	1.9
145.07594	2.5
145.10117	4.3
146.07089	1.2
148.05190	4.8
163.03903	43.7
163.07547	40.3
163.09767	6.8
163.11171	9.4
163.12325	1.0
163.14807	2.5
164.03244	0.8
164.04344	1.4
164.07039	1.5
164.08087	1.2
164.11722	0.4
179.95357	0.4
181.02885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03946	2.5
53.11253	0.3
55.01870	1.3
55.05519	0.8
56.95331	0.4
56.96568	0.8
57.03432	0.5
57.07066	1.1
65.03931	0.7
67.05509	0.6
68.05008	0.5
69.03436	1.1
69.07075	0.8
70.91720	0.8
70.92043	0.5
70.98397	0.4
76.98560	0.4
77.03927	0.9
79.05495	6.8
80.05038	0.4
81.04519	0.6
81.07055	3.4
82.05306	0.4
84.08116	0.4
85.02909	1.2
89.03918	4.8
89.06037	0.6
91.05488	3.5
93.03407	0.6
93.07054	5.7
95.04976	4.7
95.06108	1.3
95.08608	0.8
97.07645	0.9
99.04456	0.5
100.02498	1.4
103.05473	72.1
104.05819	2.5
105.03383	1.0
105.04525	1.3
105.07020	3.3
107.04958	7.6
107.06070	0.6
107.08597	6.4
109.06518	0.8
115.05460	1.0
117.03384	3.4
117.07020	2.7
118.03525	1.2
119.05011	1.1
119.08595	3.5
120.05616	0.6
121.06512	1.7
121.10153	4.2
122.07153	1.8
123.08008	1.0
127.07563	0.5
130.06566	0.4
130.07747	0.7
131.04935	100.0
132.05244	3.1
133.02869	4.2
135.04431	16.0
135.08040	2.8
135.11671	2.2
136.04739	0.7
136.07549	1.2
136.08655	1.5
137.05975	0.5
145.02885	3.6
145.03915	0.6
145.06479	1.1
145.10141	5.5
146.07094	0.9
148.05193	1.5
163.03915	37.4
163.07555	39.2
163.09789	2.6
163.11200	10.7
163.12535	0.7
163.14809	2.2
164.04306	1.6
164.08035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02385	0.5
51.06014	0.3
53.03955	2.6
55.01893	0.3
55.05507	0.4
56.96569	0.5
57.03424	0.5
57.07072	0.4
67.05508	0.3
69.03429	0.7
69.58041	2.3
73.40041	0.3
77.03930	0.9
79.05499	3.9
81.03423	0.4
81.07060	1.5
89.03918	1.3
89.06028	0.4
90.21759	0.3
91.05497	1.5
92.02638	1.0
93.07054	1.9
95.04974	6.1
95.08614	0.7
100.02498	1.9
102.51825	0.3
103.05474	77.5
104.05801	2.1
105.02065	0.3
105.03396	1.9
105.04527	1.0
105.07062	0.9
107.04953	2.9
107.08597	3.5
109.06544	0.3
115.05507	0.6
117.03339	0.6
117.07052	1.2
118.03528	1.6
119.01759	0.3
119.04976	0.6
119.08596	0.7
121.06533	0.7
121.10195	1.6
122.07195	0.3
128.02361	0.5
128.98587	0.3
131.04935	100.0
132.05261	3.1
133.02864	9.2
134.03107	0.4
135.04425	10.3
135.08073	0.8
135.11688	0.6
136.04758	0.5
136.08661	0.4
145.02858	1.0
145.06502	1.0
145.10085	1.6
163.03915	43.4
163.07555	20.2
163.09837	0.7
163.11139	3.2
163.14838	1.2
164.04311	2.1
164.07957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03958	1.7
56.05013	0.4
56.96551	0.6
57.03423	0.4
57.07057	0.3
63.02387	1.4
65.03931	0.4
69.03438	0.4
71.22033	0.7
75.68854	0.3
77.03914	0.6
79.05493	9.3
80.23592	0.3
80.31558	0.3
81.03412	0.7
81.04531	0.6
82.05353	0.4
84.81350	0.3
85.02926	0.7
89.03916	43.9
90.04251	0.9
91.05483	1.4
93.07062	0.8
95.04973	3.4
95.06074	0.6
97.07665	0.4
98.97640	0.3
99.04414	0.4
103.05464	2.4
105.03362	0.4
105.04503	0.9
105.07005	0.7
107.04958	12.9
107.06049	0.7
107.08594	1.5
108.05518	0.5
109.07613	0.5
117.03379	43.3
117.06997	0.8
118.03702	1.0
119.01887	0.4
119.04945	0.5
119.08618	0.4
120.05566	0.8
121.06489	0.8
121.10136	0.8
121.96646	0.5
122.07134	1.2
123.07928	0.5
130.06563	0.6
130.16109	0.3
131.04947	3.4
133.02835	1.3
135.04414	88.7
136.04778	2.0
136.08673	1.0
145.02846	39.7
145.03860	1.7
146.03157	1.2
146.07155	0.5
163.03902	100.0
163.07512	2.5
163.09766	2.6
163.11172	1.3
163.14781	0.5
164.04311	2.3
181.02873	0.4
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	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
53.03945	2.2
55.01881	1.8
55.05523	0.7
56.96552	0.7
59.21764	0.6
63.02384	1.0
65.03930	0.8
67.05514	2.6
69.03441	1.0
69.36257	6.3
74.48196	0.5
79.05499	16.1
79.05964	0.9
81.07063	11.0
89.03918	51.7
89.06064	0.8
90.04255	0.9
91.05488	4.3
93.07043	13.6
95.04973	6.0
100.02414	0.7
103.05473	20.5
105.04535	1.1
105.07040	4.9
107.04280	1.2
107.04958	15.2
107.08603	5.1
109.06522	3.4
117.03384	46.1
117.07018	2.1
118.03654	1.3
119.01814	0.9
119.04884	0.7
119.08591	7.0
121.06514	1.5
121.10146	14.4
123.08035	0.7
127.07570	3.0
130.07803	1.8
131.04927	26.4
132.05246	0.7
133.02893	1.1
135.04420	85.9
135.08087	1.8
135.11702	1.7
136.04773	2.0
145.02853	39.3
145.06477	0.9
145.10118	18.5
146.03310	1.0
158.05965	0.8
163.03909	100.0
163.07536	8.5
163.09865	1.0
163.11169	24.0
163.14854	0.8
164.04253	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.05495	5.4
57.03413	1.7
61.02981	2.1
67.05504	10.4
68.05017	2.1
69.07066	7.4
70.03913	4.9
70.04310	3.4
74.74655	1.7
77.03957	1.6
79.02971	4.7
79.05488	13.2
81.07060	49.4
86.17914	1.9
91.05480	40.7
93.04521	4.4
93.06470	2.4
93.07052	31.6
95.04947	2.2
95.08591	4.0
99.04434	2.9
103.05470	2.3
105.07038	94.9
107.08608	6.3
113.02327	2.2
117.06998	4.3
119.08587	80.3
120.05596	25.1
120.08910	2.6
121.06412	19.9
121.10329	1.9
131.08472	2.1
132.09276	2.0
133.10144	43.7
134.07132	6.6
138.06619	5.3
146.10919	1.8
161.06017	2.8
161.08253	37.0
161.09599	5.5
161.13269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
51.02375	0.3
51.58095	0.2
53.03927	1.0
55.01871	1.0
55.05509	1.6
56.96556	0.5
57.03410	0.4
57.07079	1.6
65.03926	0.9
67.05500	0.6
68.99785	0.4
69.03426	0.7
69.43847	1.7
69.44257	0.6
70.74478	0.3
77.03944	0.3
79.05495	4.8
81.07059	4.4
82.05310	0.3
83.08649	0.3
85.02886	0.6
89.03398	0.5
89.03918	6.7
89.06024	1.1
91.05482	13.1
93.07046	5.7
95.04952	2.2
95.06060	0.4
98.97619	0.3
100.02454	0.5
103.05475	8.2
105.04514	0.3
105.07044	2.6
107.04959	26.0
107.08593	2.3
108.05286	0.6
109.06533	1.4
117.00073	0.2
117.03380	6.1
117.06996	1.3
119.01878	0.4
119.04946	13.4
119.08585	3.0
120.05276	0.3
121.06506	0.6
121.10141	6.1
122.07188	0.4
123.07951	0.8
127.07549	1.5
128.01254	0.8
130.07776	0.6
131.04930	10.6
133.02864	0.8
135.04422	14.8
135.08057	1.0
135.11691	0.9
136.04738	0.4
136.07593	0.6
136.08693	0.6
137.01782	4.4
137.51917	0.4
143.01950	0.3
145.02852	5.6
145.06540	0.3
145.09032	0.5
145.10129	7.3
146.02290	0.4
146.07109	0.5
146.52425	0.3
148.52612	0.8
161.02957	0.8
163.03908	100.0
163.07530	3.6
163.09795	1.7
163.11143	10.0
163.14783	0.3
164.04312	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	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01868	0.7
55.05257	0.8
55.05510	6.8
56.05021	0.5
57.03437	0.7
67.05503	2.6
69.03416	1.8
69.07063	6.5
71.04974	0.6
71.60173	0.8
75.04450	0.6
79.05492	5.8
81.07056	8.0
83.04955	1.5
85.02896	0.6
88.02191	0.7
89.34494	0.5
90.39270	0.6
91.05483	17.1
93.07037	6.8
94.69791	0.6
95.04971	1.8
95.08599	1.0
97.02855	0.7
97.06534	0.5
99.04483	0.9
103.05460	1.7
105.07031	87.3
106.06565	0.7
106.07355	1.9
107.04971	0.8
107.08592	2.3
113.02397	0.6
115.05431	2.2
117.07014	5.5
118.04174	1.3
119.08582	100.0
120.08913	2.2
121.06496	1.8
121.10140	1.2
128.06233	2.1
131.04852	0.6
131.08562	4.7
132.09323	0.5
133.06496	5.1
133.10133	46.0
134.06029	1.1
134.10469	1.3
142.40678	0.5
143.08563	2.5
145.06456	0.8
145.10083	1.9
146.03613	1.3
146.07271	4.2
146.10913	2.3
159.11688	3.2
161.05995	5.3
161.07213	1.2
161.09633	32.3
161.13260	96.2
162.05495	2.0
162.13676	3.5
167.63684	0.6
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
53.03936	0.9
54.64774	0.4
55.01859	1.0
55.05506	5.5
55.79802	0.4
57.03427	0.9
62.29890	0.4
63.19821	0.4
63.44044	0.5
67.05497	3.0
68.26953	0.4
69.03443	2.3
69.07066	7.3
69.56942	0.4
71.60059	0.7
77.03909	0.5
79.05482	4.5
81.07052	6.9
81.75602	0.4
83.04964	1.2
88.39120	0.4
91.05480	16.9
93.07039	7.2
95.04954	0.8
95.08601	1.4
99.04450	1.0
101.72031	0.4
103.05463	2.6
105.07028	68.7
106.07361	1.6
107.04958	0.7
107.08595	3.0
115.05434	2.0
117.07013	5.4
117.73130	0.5
118.07800	0.8
119.08576	90.5
120.08838	2.2
121.06519	2.0
121.10146	2.3
125.06033	0.5
128.06190	2.6
130.07796	0.6
131.08551	5.2
132.05710	0.5
133.06493	4.2
133.10124	50.7
134.10468	1.1
143.08545	4.3
145.10077	2.2
146.03622	0.9
146.07275	4.0
146.10933	3.0
159.11708	3.2
161.05978	3.9
161.09627	35.1
161.13254	100.0
162.05461	0.7
162.10048	0.8
162.13557	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.05516	3.5
67.05511	2.1
69.03444	0.7
69.07072	4.6
71.06482	1.2
79.05502	4.1
81.07064	10.0
91.05486	18.8
93.07049	6.0
95.04986	1.0
95.08617	1.6
99.04446	0.8
103.05470	2.3
105.07036	93.4
106.07374	1.7
107.08605	1.8
109.09068	0.7
117.07048	4.2
119.08586	100.0
120.08933	1.9
121.10150	1.7
121.47338	0.5
131.08586	2.7
133.06514	1.2
133.10136	25.5
134.10510	0.8
143.08586	0.7
146.10837	2.0
159.11707	2.1
161.05908	0.8
161.09654	4.6
161.13264	68.4
162.13608	1.8
164.83171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03932	0.8
55.01870	0.5
55.05512	5.8
57.03428	0.7
67.05499	2.4
69.03415	0.8
69.07072	6.8
70.37605	1.5
76.05297	0.4
79.05488	3.7
80.08689	0.4
81.07063	7.4
91.05477	15.4
93.07043	5.4
95.04956	1.2
95.08610	0.9
99.04449	0.8
103.05463	1.9
105.03408	0.6
105.07030	64.6
106.07353	2.0
107.04944	0.6
107.08598	2.6
115.05450	1.3
117.07005	4.7
118.07893	0.5
119.08580	84.0
120.08946	1.7
121.06479	1.2
121.10141	1.1
128.06232	1.9
130.07782	0.5
131.08582	6.1
132.09343	0.8
133.06505	1.5
133.10132	43.3
134.10457	1.3
143.08572	1.9
145.10130	2.1
146.07283	2.5
146.10994	2.3
159.11690	3.3
161.06061	2.3
161.09633	26.9
161.13257	100.0
162.05533	1.0
162.09970	1.1
162.13602	3.9
179.96602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.83521	0.6
53.03941	1.6
53.11412	0.8
54.10929	0.6
55.01874	2.2
55.05513	5.5
57.03441	0.8
57.20910	0.6
59.66844	0.6
67.05510	10.8
69.03426	1.2
69.07076	4.8
70.44439	0.8
70.44797	2.5
74.06089	1.0
77.03930	1.0
79.05495	17.0
81.07059	17.6
83.08652	1.0
91.05484	38.7
92.05792	0.8
93.07047	13.5
95.04971	2.4
95.08598	6.5
98.21404	0.9
99.04461	1.1
101.10461	0.8
103.05470	7.0
104.06313	0.7
104.95385	0.7
105.07032	100.0
106.07377	2.3
107.08607	4.6
115.05449	9.6
117.07023	4.7
118.04180	5.2
118.06522	0.8
119.08583	72.3
120.08910	1.1
121.06518	1.0
128.06212	1.2
131.04947	2.2
131.08574	12.4
132.09357	0.8
133.06500	21.2
133.10132	50.7
134.10501	1.1
143.06029	1.6
143.08553	4.4
146.03645	4.8
146.07271	3.4
159.11757	1.9
161.05971	11.0
161.07146	0.6
161.09622	22.7
161.13257	88.0
162.05498	0.9
162.09109	2.3
162.13608	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	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01870	1.2
55.05515	7.2
55.10093	0.5
55.73050	0.5
57.03440	1.0
57.07066	0.6
67.05515	2.8
69.03453	0.9
69.07076	6.2
69.40083	0.5
71.04993	0.7
71.60023	0.8
74.25736	0.5
79.05502	5.8
81.07059	10.1
83.04990	1.9
84.51517	0.6
85.02934	0.6
88.02212	1.1
91.05486	19.2
93.07050	6.7
95.04981	1.2
95.08607	1.6
97.06505	0.7
99.04478	2.6
103.05455	2.2
105.07034	100.0
106.07354	2.6
107.08614	3.1
115.05460	2.2
117.07017	4.1
119.08585	93.0
120.06602	1.0
120.08871	1.0
121.06502	0.8
121.10151	2.6
128.06215	0.8
130.07829	0.7
130.54155	0.8
131.08562	4.3
132.09351	0.9
133.06500	4.4
133.10136	41.4
134.10463	0.9
143.08577	1.6
145.10118	1.5
146.03615	2.0
146.07262	1.0
146.10861	1.7
159.11707	3.0
161.05971	4.7
161.07196	1.1
161.09637	12.8
161.13266	88.3
162.05531	1.4
162.13617	2.4
176.63481	0.6
182.66794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.05512	4.4
56.69437	0.6
67.05502	2.6
69.07076	6.0
71.52596	0.6
71.60316	0.7
79.05498	6.5
81.07064	15.8
83.08640	0.7
86.64140	0.5
91.05479	17.5
93.07040	6.8
95.04971	1.1
95.08621	2.0
103.05464	2.3
105.07033	100.0
106.07364	2.6
107.08621	2.9
117.07049	3.9
119.08583	72.2
120.08868	1.1
121.10154	0.6
124.01494	0.6
131.08571	3.2
133.10132	31.3
134.10487	1.0
143.08542	0.7
145.10081	1.1
146.10854	1.8
159.11662	2.7
161.09715	2.8
161.13266	88.9
162.13599	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02372	0.6
53.03946	1.2
55.01872	2.0
55.05511	7.5
59.63952	0.4
62.47375	0.3
65.03941	0.4
66.49140	0.4
67.05510	2.9
69.03423	1.3
69.07065	6.8
70.97762	1.1
77.03920	0.5
79.05488	5.1
81.03413	1.4
81.07051	5.7
91.05479	25.6
92.05769	0.5
93.07043	12.1
93.07627	0.7
94.07368	0.6
95.04966	1.4
95.08610	0.9
99.04472	0.4
103.05463	2.0
104.06286	0.7
105.07030	78.1
106.07359	1.8
107.04954	1.1
107.08609	2.7
115.05453	1.7
117.07031	6.4
117.79453	0.4
118.04179	0.4
118.07816	0.9
119.04958	1.1
119.08580	90.7
120.08870	1.9
121.06498	1.6
121.10135	1.2
128.06244	4.3
130.07814	0.6
131.04913	0.5
131.08569	7.9
132.05678	1.2
132.09288	1.1
133.06496	3.0
133.10129	53.0
134.10469	1.8
143.08543	4.8
145.06538	0.8
145.10114	1.6
146.07259	3.9
146.10942	2.9
147.11690	1.2
159.11665	3.0
161.05971	1.2
161.09627	43.6
161.13255	100.0
162.05443	0.5
162.09952	1.5
162.13599	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	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.5
57.03433	0.6
65.42450	0.4
67.05503	1.2
67.28735	0.4
69.07066	6.5
70.44691	0.8
70.45086	1.0
79.05481	2.5
80.13655	0.4
81.07053	4.5
84.13661	0.4
85.24447	0.4
85.24920	0.4
91.05474	9.1
93.07041	3.4
95.04973	0.5
103.05492	0.5
105.07029	49.6
106.07338	1.1
107.08591	2.2
115.05442	0.6
117.07005	4.1
119.08577	86.9
120.08905	1.7
121.10159	1.0
128.06157	0.6
130.07761	0.8
131.08527	4.5
132.09398	0.9
133.06485	0.9
133.10124	38.8
134.10439	0.9
143.08543	0.9
145.10124	1.8
146.07265	0.7
146.10905	3.2
159.11693	3.1
161.05995	0.8
161.09656	7.0
161.13251	100.0
162.13602	3.0
177.44295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.05512	6.1
67.05501	1.3
67.77406	0.5
68.02913	0.5
69.07071	6.3
69.64275	1.7
69.64708	2.2
79.05486	2.7
81.07059	4.6
89.77634	0.5
91.05483	10.4
91.06014	0.9
93.07054	3.6
95.04985	0.5
95.08673	0.5
99.04395	0.5
103.05454	0.9
105.07032	55.6
106.07345	0.6
107.08611	2.7
115.05462	0.9
117.07010	2.7
119.08584	94.7
120.08855	2.3
121.10152	1.9
129.08630	0.4
130.07784	1.0
131.08583	5.0
132.09409	0.9
133.10132	41.6
134.10474	0.8
145.10107	2.4
146.07254	0.9
146.10931	3.2
159.11696	3.9
161.09659	7.7
161.13258	100.0
162.13614	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03933	1.6
55.05520	7.0
67.05505	8.5
68.33817	1.2
69.07081	8.6
70.08132	6.3
79.02994	2.6
79.05497	16.9
80.03731	1.5
81.07061	53.1
90.22807	1.3
91.05484	41.5
93.04528	5.2
93.07043	30.3
95.08606	6.4
105.07034	100.0
106.07353	1.6
107.06093	1.8
107.08610	5.0
113.02367	1.7
117.07005	5.5
119.08590	85.5
120.05600	13.7
121.06400	16.2
131.08582	2.1
133.10144	42.4
134.07120	6.1
138.06578	2.7
159.11699	1.9
161.06944	2.4
161.08249	31.0
161.09625	5.5
161.13261	94.2
162.13586	2.7
167.09253	1.3
178.63846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
53.50484	0.6
55.01873	3.3
55.05519	8.4
57.03434	1.1
57.74832	0.6
59.88802	0.8
65.03952	0.7
67.05511	5.0
69.03447	1.8
69.07072	6.3
71.59369	1.1
74.06065	0.6
79.05498	6.6
81.03417	2.3
81.07066	6.6
83.04974	1.4
85.85468	0.6
91.05488	35.5
92.05778	1.4
93.07047	16.4
95.04971	2.4
95.08587	1.0
99.04459	1.1
102.48563	0.7
103.05480	3.7
105.07037	100.0
106.07375	2.3
107.04970	2.1
107.08601	2.2
115.05460	2.8
117.07030	6.8
118.07789	2.0
119.04964	2.3
119.08588	85.5
120.08926	2.8
121.06522	2.3
121.10122	1.4
121.78981	0.8
128.05411	0.7
128.06194	4.4
131.04956	0.8
131.08588	9.2
132.05695	1.7
132.09303	0.9
133.06511	5.6
133.10139	59.3
134.10507	1.6
143.08591	6.8
145.06549	1.2
145.10153	1.3
146.03635	1.1
146.07300	5.9
146.10884	2.3
159.11702	2.8
161.06049	3.8
161.09637	62.7
161.13272	94.8
162.05499	1.5
162.09976	2.9
162.13591	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	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94892	0.5
53.03943	1.1
55.01854	1.0
55.05511	5.8
57.03407	1.0
66.15535	0.5
67.01898	0.6
67.05502	1.8
69.03441	1.1
69.07065	5.7
71.58602	1.0
79.05490	4.2
81.07066	4.9
83.04987	1.1
91.05478	15.8
93.07037	7.0
95.04984	0.7
95.08614	1.4
99.04459	1.2
103.05460	2.1
104.50446	0.6
105.07032	62.3
106.07390	1.8
107.04947	0.7
107.08588	2.0
110.70944	0.6
113.02416	0.7
115.05470	1.3
117.07015	5.1
119.08585	94.4
120.08918	1.9
121.10156	1.6
128.06238	1.9
131.08572	4.9
132.09360	0.8
133.06519	3.0
133.10133	39.7
134.10512	1.6
136.26053	0.6
141.15010	0.6
143.08562	2.4
145.10098	1.8
146.03574	1.4
146.07256	2.2
146.10989	3.3
151.56827	0.6
154.14511	0.7
159.11728	2.5
161.04764	0.7
161.06001	3.5
161.09628	19.1
161.13261	100.0
162.05482	1.8
162.09132	2.3
162.13640	2.6
163.11380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62393	0.3
53.03942	0.6
55.01856	1.0
55.05503	0.9
56.27752	0.3
57.03426	0.6
65.03927	0.3
67.05490	0.6
69.03433	5.9
69.07063	0.6
71.04977	0.2
71.15944	0.5
73.02900	0.3
77.03915	0.4
78.93108	0.2
79.05495	3.2
79.05912	0.4
81.07060	1.1
81.95377	0.2
82.71710	0.2
83.04977	0.4
85.02887	0.9
90.04678	0.3
91.04970	0.4
91.05491	5.3
93.07063	1.6
95.04979	0.8
95.08600	0.4
97.02901	0.5
99.04440	0.8
101.06018	0.3
103.05482	3.0
105.07036	29.6
106.07366	1.0
106.34595	0.3
107.04958	0.4
107.08591	0.3
113.02357	0.2
115.05457	4.0
116.07078	0.3
117.07011	1.0
118.04179	1.9
119.05006	0.5
119.05788	0.2
119.08588	8.5
120.08988	0.2
121.01991	0.2
121.06476	1.0
128.06227	4.0
131.04944	1.4
131.08537	1.2
132.05717	1.1
133.06503	9.0
133.10139	8.7
134.06828	0.4
134.10455	0.4
141.07021	0.2
143.06081	0.5
143.08559	6.5
143.09685	0.3
145.06519	2.5
146.03595	0.9
146.07278	3.7
159.08072	4.2
159.11761	0.3
161.06027	4.2
161.09622	100.0
161.13246	7.4
162.05493	0.3
162.09982	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	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01860	1.0
55.05500	1.6
57.03431	0.8
67.05515	2.2
68.87167	0.4
69.03422	4.2
69.07073	1.7
69.71452	2.6
79.05505	3.4
80.90927	0.4
81.07067	3.3
83.04996	0.8
91.05483	10.6
93.07046	4.9
95.04968	0.7
95.08610	1.1
99.04446	1.2
101.57648	0.4
103.05474	1.3
105.07034	41.0
106.07363	1.3
107.04950	1.5
107.08612	0.5
109.27429	0.4
113.63641	0.4
115.05452	1.5
117.07037	2.1
119.04965	0.5
119.08583	20.9
121.06511	11.0
128.06219	4.4
131.04938	1.7
131.08559	2.3
131.74324	0.4
132.05728	1.1
132.09331	0.5
133.06499	3.6
133.10133	27.1
134.10461	1.1
143.08578	7.2
145.06471	2.8
146.03621	1.1
146.07272	19.4
147.07681	0.5
152.49521	0.4
156.79875	0.5
159.08009	1.0
159.11665	0.7
161.06067	2.4
161.09621	100.0
161.13261	23.0
162.05473	1.5
162.09998	4.3
162.13612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72453	0.4
53.03946	1.7
55.01876	6.0
55.05519	3.0
57.03431	0.9
59.34583	0.4
64.58466	0.4
65.03941	0.7
67.05512	1.8
69.03432	9.2
69.07064	1.6
69.72914	2.3
69.73344	1.5
71.05005	0.6
73.02913	0.7
79.05496	9.1
81.03433	0.7
81.07058	4.5
81.48380	0.5
83.04985	0.9
85.02898	1.0
87.04459	0.8
88.02258	0.6
88.62479	0.5
90.04709	0.7
91.05486	30.8
92.05820	0.9
93.04523	0.7
93.07047	7.9
95.04969	2.5
95.08608	1.0
99.04452	1.4
103.05473	7.6
105.03407	3.2
105.07035	99.4
106.07353	3.7
107.04958	3.1
107.08599	1.1
115.03966	2.5
115.05453	10.9
117.07018	5.4
118.04162	5.5
118.07812	2.3
119.04939	2.1
119.06836	1.7
119.08587	32.7
120.05660	0.9
120.08924	1.5
121.06495	6.5
128.06236	12.2
131.04901	2.8
131.08574	7.2
132.05702	2.8
133.05019	0.7
133.06503	21.7
133.10133	60.3
134.06932	1.0
134.10478	2.4
141.07014	0.8
143.04985	0.7
143.06071	1.7
143.08568	18.8
144.08914	0.8
145.06520	2.8
146.03590	3.5
146.07269	14.8
147.07581	0.7
155.06065	0.7
159.08072	0.9
161.06017	12.0
161.09624	100.0
161.13254	15.5
162.10063	4.6
162.13690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02391	0.5
53.03944	1.4
55.01873	3.0
55.05509	1.7
56.96561	1.4
57.03438	1.4
66.04708	0.9
67.05502	2.9
69.03431	1.1
69.07069	1.4
71.59595	0.7
77.03917	0.6
78.93117	0.5
79.05495	15.4
81.03397	0.6
81.07059	4.7
83.04987	1.7
85.02921	0.5
89.03896	0.7
90.04707	1.8
91.05481	11.4
93.04526	0.7
93.07059	3.7
95.04967	3.2
95.08614	1.2
97.06541	0.5
99.04456	1.9
102.04651	0.8
103.05470	18.8
105.03409	1.7
105.07033	100.0
106.06700	0.6
106.07349	3.1
107.04942	1.1
107.08581	1.1
112.02843	0.8
115.05453	19.5
115.12157	0.4
117.07017	2.0
118.04163	11.8
119.04931	0.4
119.08584	37.6
120.05597	0.8
120.08934	0.8
121.06441	1.1
124.04716	0.6
128.06221	1.0
129.03871	1.4
131.04909	3.2
131.08569	1.8
132.05721	0.9
133.02884	1.2
133.06494	43.5
133.10133	12.6
134.06931	1.3
138.04434	1.5
140.54639	0.8
143.04990	1.0
143.06055	3.2
143.08562	2.2
146.03638	2.8
146.07324	1.2
161.02388	1.2
161.04628	0.8
161.05989	19.1
161.08220	1.2
161.09598	12.7
161.13261	21.6
162.05420	0.8
162.06613	0.7
175.02852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03939	1.7
55.01878	5.5
57.03432	0.6
63.39071	0.5
63.90560	0.5
66.04707	0.9
69.60612	4.6
74.06077	0.8
77.03937	0.6
79.05494	17.2
80.05797	0.6
81.07039	0.5
84.53490	0.5
84.99724	0.5
86.96684	0.6
89.03897	0.7
89.06645	0.5
90.04694	2.4
90.33697	0.6
91.05481	5.1
92.02619	0.6
95.04960	2.5
103.05471	19.5
103.06149	1.2
105.07034	100.0
106.07359	2.6
107.04966	0.9
115.05458	24.6
116.05773	0.7
118.04168	15.4
119.06880	0.7
119.08617	2.8
131.04942	4.9
132.05716	1.4
133.06494	54.7
133.10089	3.0
134.06923	2.1
143.06027	4.8
161.04617	1.2
161.05986	16.1
161.08348	0.6
161.09567	3.8
161.13210	2.6
162.05458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02376	0.4
53.03949	1.3
55.01877	3.4
55.05509	0.9
57.03441	1.4
60.14625	0.3
65.03936	0.4
66.04723	1.0
67.05506	0.6
69.03435	1.4
69.07069	0.7
69.40582	2.1
71.27793	0.3
77.03931	0.5
79.05493	15.5
80.05838	0.2
81.03392	0.2
81.07063	1.5
85.02903	4.4
87.19933	0.3
89.03925	0.6
90.04701	2.3
91.05483	5.9
92.02613	0.4
93.07014	1.3
95.04968	3.6
95.08625	0.4
97.02903	1.6
99.04493	0.2
102.04691	0.7
103.05470	18.5
104.05761	0.4
105.07030	100.0
106.07356	2.2
107.04961	0.9
107.08598	0.4
109.30836	0.2
113.02370	0.5
115.05457	22.7
116.05799	0.8
117.07045	0.7
118.04160	15.7
118.07848	0.3
118.99116	0.3
119.08580	10.5
121.06496	0.4
121.10092	0.3
128.06207	0.3
131.04924	3.8
131.08591	0.3
132.05707	0.8
133.06491	56.0
133.10112	5.4
134.06853	1.4
137.95891	0.3
143.03415	0.4
143.04933	0.7
143.06017	4.2
143.08595	0.4
146.03668	0.5
146.07278	0.5
149.05942	0.5
159.11687	0.3
161.04668	0.5
161.05977	14.3
161.09610	4.0
161.13251	10.1
162.06383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02387	0.8
53.03935	1.2
55.01877	4.3
66.04716	1.5
69.49141	6.2
77.03920	0.9
79.05499	15.5
81.07055	1.5
85.02876	0.9
89.03942	0.8
90.04706	2.0
91.05499	4.9
95.04979	4.0
98.21471	1.5
102.04715	0.7
103.05473	19.3
105.07038	100.0
106.07383	2.4
106.79877	0.7
107.04955	1.0
115.04678	1.6
115.05466	23.7
117.07129	0.8
118.02382	0.7
118.04169	16.3
119.08571	5.9
131.04936	4.8
132.05711	1.8
133.06500	54.4
133.10123	3.8
134.06844	1.7
143.04977	1.3
143.06001	5.2
146.03648	2.4
161.04646	0.9
161.05986	17.9
161.09642	2.7
161.13261	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03949	1.9
55.01870	4.7
55.05507	0.6
57.17455	0.5
66.04729	0.6
69.07036	0.8
71.10806	1.8
72.10004	0.6
76.91347	0.5
77.03911	0.6
79.05494	16.1
81.03394	0.6
81.07063	0.8
85.98566	0.6
90.04692	2.4
91.05482	3.9
92.02637	0.9
95.04963	3.9
95.82509	0.5
97.02930	0.7
102.04687	0.7
103.05474	19.3
105.07032	100.0
106.07363	2.6
113.04382	0.5
115.05461	23.8
116.05772	1.2
118.04166	16.4
119.08591	6.0
131.04918	3.4
131.08611	0.7
132.05699	1.7
133.06494	51.4
133.10146	2.5
134.06900	1.4
143.05006	0.9
143.06042	4.4
146.03664	0.8
146.07231	0.8
161.05986	13.9
161.08211	1.1
161.09573	3.1
161.13206	3.8
169.48515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.2
52.43926	0.2
53.03952	1.3
55.01876	4.0
65.03943	0.5
66.04728	1.4
69.07072	0.3
70.93874	0.2
70.94228	0.6
77.03930	0.6
79.05497	18.0
80.05789	0.2
81.03416	0.3
81.07065	0.2
89.03905	1.0
89.40950	0.2
90.04704	2.6
91.04965	0.3
91.05489	4.1
92.02647	0.8
93.07053	0.2
94.04221	0.3
95.04975	4.3
95.05556	0.4
102.04696	0.8
102.72993	0.2
103.05473	22.0
104.05770	0.4
105.07034	100.0
106.07385	1.9
107.04976	1.1
108.05755	0.2
109.86144	0.2
115.05459	26.3
116.05785	0.6
117.07008	0.2
118.04164	18.5
119.04445	0.4
119.08588	1.7
131.04936	4.8
131.08592	0.2
132.05707	1.1
133.06496	56.5
133.10098	1.1
134.06834	1.5
143.04945	0.6
143.06039	4.5
143.08542	0.2
146.03610	0.7
149.05968	0.3
158.17830	0.2
161.05989	14.2
161.09605	1.2
161.13292	1.8
162.06351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03946	1.7
55.01875	4.7
66.04729	1.3
69.58649	2.1
69.59061	0.8
77.03902	0.4
78.27119	0.3
79.05498	16.3
81.07069	0.8
89.03922	0.5
90.04712	2.9
91.05481	5.6
92.02600	0.6
93.07054	0.9
95.04982	3.9
100.57275	0.4
103.05475	21.2
105.07033	100.0
106.07373	2.3
106.34051	0.4
107.04953	0.8
115.05459	25.9
116.05793	1.2
117.07017	0.5
118.04162	15.2
119.08589	4.7
131.04919	3.4
132.05721	1.4
133.06496	60.6
133.10078	2.7
134.06847	1.6
143.05019	0.9
143.06039	4.5
143.08578	0.9
146.03587	1.1
161.05983	15.5
161.09608	4.5
161.13268	5.0
162.09088	0.6
182.11244	0.4
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
53.03949	1.7
55.01871	5.0
55.79475	0.3
56.55245	0.3
65.03945	0.4
66.04720	1.1
67.05494	0.4
77.03896	0.6
79.05491	15.2
80.05805	0.5
81.07054	1.1
84.40509	0.3
89.03919	0.8
90.04694	3.2
91.05476	4.4
92.02612	0.7
94.04195	0.5
95.04968	4.3
99.04458	0.3
102.04682	0.6
103.05466	22.6
105.07029	100.0
106.07344	2.5
107.04936	0.9
115.05452	26.4
116.05808	0.7
117.06985	0.4
118.04159	17.0
118.06512	0.4
119.08575	3.5
119.95819	0.4
131.04921	4.1
132.05722	1.4
133.06488	57.7
133.10117	1.6
134.06842	1.8
143.04984	0.6
143.06032	4.6
146.03596	0.7
161.05975	16.1
161.09636	1.3
161.13258	3.1
162.06331	0.4
183.74577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03931	2.1
55.01873	4.7
66.04729	0.8
66.92831	0.5
68.03170	0.5
69.48934	0.9
69.49332	3.5
77.03919	0.9
78.92204	0.5
79.05489	16.7
89.03915	0.7
90.04696	2.5
91.05476	4.0
92.02605	0.9
95.04950	4.2
103.05463	22.1
105.07026	100.0
106.07365	1.9
107.04984	0.7
115.05449	24.6
118.04153	17.9
119.08605	1.3
131.04918	4.3
132.05702	1.2
133.06487	57.8
133.10126	1.9
134.06870	1.7
143.06032	4.2
159.40511	0.5
161.05974	15.8
161.09543	2.4
161.13329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02372	0.5
53.03948	1.2
55.01880	4.2
55.05503	2.2
56.96571	2.5
57.03445	1.2
59.01472	0.4
65.03941	0.8
66.04736	1.1
67.05504	2.5
68.91923	0.4
69.03417	0.9
69.07066	2.0
71.00657	0.9
77.03912	0.8
79.05496	15.2
81.07062	5.8
83.04978	1.3
89.03916	0.6
90.04707	2.2
91.05482	10.8
92.02609	0.4
93.04487	0.5
93.07056	3.6
95.04979	3.9
95.08591	1.3
97.92314	0.5
99.04464	1.0
103.05473	15.4
105.03400	1.5
105.07034	100.0
106.07362	1.7
107.04977	0.6
107.08613	1.0
112.02829	0.7
115.05457	19.3
116.05817	0.4
117.07032	1.2
118.04169	13.0
118.06568	0.8
119.03606	0.6
119.08588	33.4
119.95766	0.5
120.08929	0.5
121.06475	1.1
124.04649	0.7
128.06190	0.5
129.03920	1.9
130.36829	0.3
131.04921	3.0
131.08588	1.5
132.05695	0.9
133.02850	2.1
133.06499	40.5
133.10130	10.9
134.06972	1.2
137.96834	0.4
138.04381	2.1
139.12184	0.5
143.05020	0.8
143.06033	3.5
143.08571	1.0
146.03593	2.7
146.07324	1.0
146.10826	0.4
149.55168	0.5
159.11681	0.8
159.88539	0.4
161.02374	1.2
161.04622	0.7
161.05991	14.0
161.08209	1.4
161.09625	7.4
161.13268	19.5
162.05432	0.5
162.13510	0.4
168.16963	0.4
175.02866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01867	10.5
55.05502	13.8
56.05027	10.8
56.96336	4.2
56.96566	55.1
57.03438	30.8
57.07079	22.0
58.06600	4.1
59.04996	8.3
59.06134	19.8
59.41893	4.2
59.81936	3.6
60.04533	16.5
60.95843	4.6
61.02913	14.7
65.03919	5.1
67.05504	34.0
68.05020	3.8
68.66222	3.4
69.03427	31.0
69.07043	8.6
70.06582	20.8
70.33982	13.4
71.04976	11.0
72.04507	11.2
72.08149	19.6
73.02921	20.7
74.06069	15.0
75.04476	5.4
75.05603	4.8
76.03981	4.3
78.93137	6.3
79.05488	13.2
81.03403	5.3
81.04547	4.5
81.07045	11.4
81.95946	3.6
82.06557	5.3
83.04983	19.2
83.06075	7.7
84.04492	17.8
84.08128	13.6
85.02900	26.7
85.06528	13.3
85.07668	5.2
86.06057	18.8
87.04440	9.8
87.05586	6.8
88.04021	3.6
91.05465	15.7
93.07022	5.0
94.05283	3.9
95.04957	4.9
95.06034	3.9
97.02901	28.2
97.06513	9.1
97.99172	4.6
98.06036	10.5
98.97579	63.2
99.04462	35.4
99.05521	4.9
100.03946	4.7
100.07583	9.4
101.00861	8.8
101.02385	5.3
101.06020	6.2
101.07109	8.2
101.95013	9.0
102.05521	11.4
102.96863	12.3
103.03938	5.0
104.38986	3.4
105.07032	46.0
112.08677	4.0
113.02359	27.7
113.07098	8.0
114.05559	4.4
115.03959	8.6
115.05471	7.0
115.08672	4.4
116.07063	5.8
116.98620	65.1
117.11057	5.1
118.04182	5.5
118.06520	4.6
119.01920	100.0
119.06927	4.1
119.08576	22.9
119.96055	7.2
120.02003	8.7
120.05602	4.3
120.06583	4.3
120.08090	7.4
120.97932	17.8
121.06408	7.2
125.02309	6.6
125.06038	5.0
126.05443	4.5
127.01496	6.5
128.02306	3.7
128.07079	10.7
128.09471	4.0
131.08115	5.4
133.06499	17.1
133.10146	20.0
134.06050	3.5
134.07111	9.9
134.99657	41.8
135.24202	3.4
136.99199	5.3
137.00116	5.6
137.02965	68.2
137.04010	5.5
137.97025	9.7
138.03001	6.3
138.98933	27.9
142.03548	4.2
143.01979	3.9
143.03497	9.8
143.08308	8.1
144.06570	8.2
144.10243	5.3
146.99669	9.9
153.00684	7.7
157.00018	6.5
158.01237	4.5
158.99648	21.9
159.03290	15.7
161.01225	4.3
161.02979	15.7
161.04605	30.2
161.05977	29.4
161.07111	7.9
161.08150	10.1
161.09444	45.3
161.13251	26.0
161.14380	4.2
162.05502	8.7
162.07672	12.5
162.09117	11.2
170.05203	7.5
172.55472	4.4
177.00705	37.3
177.04330	7.7
178.01132	3.5
179.03983	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	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51529	0.3
56.96564	0.7
58.99859	0.4
63.45963	0.2
67.05489	0.6
70.76823	0.2
70.80788	0.8
71.02985	0.6
77.30830	0.3
80.03477	0.3
82.99851	0.7
83.04974	0.3
95.04961	0.3
96.50552	0.4
98.97596	1.1
99.66732	0.2
100.02483	1.5
100.96011	0.2
100.97195	0.2
101.00877	10.8
102.00943	1.4
102.02234	0.3
102.96861	0.9
103.00631	0.3
103.02461	1.1
105.07043	0.2
106.96565	0.3
107.05264	1.2
107.55394	0.2
111.04427	1.6
115.60297	0.2
115.97088	0.3
116.05780	4.0
116.55878	1.0
116.98640	1.2
118.03548	0.8
119.01923	100.0
120.02010	9.0
120.03255	0.4
120.97887	0.8
121.01647	1.5
121.03481	0.7
124.02472	0.3
124.97563	1.7
125.02580	0.4
125.06315	0.6
127.47825	0.7
127.56572	0.7
129.03893	0.3
129.04771	0.7
129.54843	0.3
133.98102	8.1
134.98012	0.3
134.99666	1.0
136.48364	4.0
137.02960	50.9
137.50009	0.9
138.03050	4.0
138.05205	0.4
138.98950	0.6
139.02617	0.5
140.00298	0.4
142.03500	4.4
142.98624	1.6
143.01930	0.5
143.03630	5.5
144.03195	1.6
145.48894	16.1
146.48859	0.9
147.05046	0.6
147.99132	0.4
149.00867	0.7
149.50850	0.4
150.00739	0.3
154.49406	2.7
156.99696	1.6
160.04541	1.7
161.02977	4.7
161.04691	3.8
161.09514	0.4
162.03157	0.4
162.04378	0.9
165.06145	0.4
179.04033	9.2
179.05719	1.0
180.04143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84545	0.4
56.96558	1.0
64.12697	0.4
67.05499	0.8
70.08006	1.4
70.08414	1.0
71.37872	0.4
79.54129	0.4
82.99853	1.0
83.05001	0.6
84.08139	1.5
88.95457	0.6
96.50574	0.8
98.97556	1.0
100.02483	1.7
101.00874	9.7
102.00978	0.9
102.96889	1.3
103.02478	1.2
105.07027	0.9
107.05303	1.1
107.55481	0.6
111.04436	1.9
115.97015	1.2
116.05803	4.7
116.55962	0.7
116.98611	1.4
118.03532	0.7
118.47338	0.7
119.01924	100.0
120.02015	9.5
120.03325	0.6
120.97884	2.0
121.01690	1.5
121.03523	0.5
124.02439	0.5
124.97585	2.2
125.06271	0.7
127.47915	1.2
127.56582	0.9
129.04776	1.2
133.03302	0.5
133.10127	0.5
133.98097	16.0
134.97932	0.9
134.99672	0.8
136.04659	0.6
136.45262	0.5
136.48354	10.9
137.02960	52.5
137.48244	1.4
137.50014	0.6
138.03061	5.4
138.05200	0.5
138.98888	1.9
142.03519	4.3
142.98625	3.6
143.03625	7.0
144.03275	1.3
145.48898	33.1
146.48785	3.0
147.05107	0.6
147.48474	0.6
147.99269	0.6
149.00829	1.3
149.50876	0.5
150.00586	0.5
154.49414	5.4
155.49301	1.0
156.99701	3.8
157.99579	0.6
158.01346	0.6
160.04564	2.4
161.03033	4.6
161.04671	4.7
162.04288	0.9
166.00252	0.6
179.04019	10.0
179.05553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72499	0.3
61.65139	0.3
67.05488	1.2
69.41328	2.8
79.05464	0.5
91.05477	3.2
102.87531	0.2
105.07031	13.7
106.07364	0.4
110.28062	0.2
115.05442	1.0
116.06238	0.6
117.07016	11.3
118.06554	0.4
118.07353	0.4
119.08577	6.5
120.85827	0.3
128.06230	0.9
129.06033	0.4
129.07005	7.6
130.07813	3.7
131.08569	24.0
132.08919	0.9
141.01833	1.6
141.06926	0.3
142.07730	1.0
143.08522	0.9
144.09346	19.4
145.09702	0.4
151.53635	0.3
157.10149	3.9
159.08218	1.9
159.11691	100.0
160.12044	5.3
165.21194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10317	0.3
56.96562	1.0
58.99852	0.4
59.06125	0.9
67.17941	0.4
70.63418	0.9
70.63820	0.6
82.01431	0.5
82.99843	1.2
85.07623	0.5
89.10387	0.4
98.97587	0.6
100.02465	2.1
100.97153	0.8
101.00868	14.6
101.07101	0.5
103.02431	0.5
107.05276	0.6
111.04454	0.7
116.05809	0.9
116.98621	1.1
117.98951	0.7
118.03529	5.3
118.06539	0.5
118.56033	0.4
118.96812	0.9
119.01916	100.0
120.02003	2.4
120.03262	0.6
121.01629	0.8
124.02433	2.9
132.08043	0.4
134.99655	0.9
136.02751	1.2
136.04530	4.2
137.02953	41.3
138.03058	1.4
139.02744	0.7
142.03491	50.4
143.03693	2.2
160.04552	46.8
161.03027	2.0
161.04593	2.2
165.05098	2.4
178.05602	13.1
179.04001	3.3
179.05418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05506	0.2
56.96563	0.3
57.03436	0.3
67.05502	1.3
70.74023	0.2
71.04984	0.2
71.59606	0.2
71.60020	0.2
76.92918	0.3
76.93366	1.6
79.05493	0.6
81.07065	0.6
86.45516	0.2
91.05482	4.8
94.94391	0.7
95.04984	0.3
95.08601	0.5
97.06534	3.0
98.97591	0.3
103.05474	0.6
105.07032	9.5
106.07381	0.2
113.02366	0.5
113.07950	0.2
115.05439	1.6
116.06263	1.3
117.07022	10.6
117.95995	1.8
118.06528	0.4
118.07310	0.3
119.08580	9.4
120.08883	0.3
128.06218	0.9
129.07008	9.0
130.07823	3.4
131.08572	21.1
132.08905	0.9
134.99663	0.3
135.97029	1.4
141.01825	2.1
141.06992	0.3
141.09116	0.7
142.07799	1.2
143.08539	1.0
143.33170	0.2
144.05704	0.4
144.09349	21.4
145.09715	0.7
152.93385	0.2
157.10153	2.9
158.98599	0.4
159.08130	5.0
159.11693	100.0
160.12045	4.1
161.09570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
58.60954	0.2
60.70270	0.2
67.05508	1.4
70.44341	0.2
71.57983	0.3
72.48515	0.2
79.05494	0.2
81.07045	0.4
87.51760	0.2
88.48527	0.2
90.20213	0.2
91.05473	4.5
91.06010	0.3
92.05791	0.2
93.07066	0.3
103.05441	0.3
105.07029	10.3
115.05447	1.6
116.06237	1.3
117.07017	11.4
119.08578	8.0
120.08916	0.3
128.06183	1.1
129.06999	8.5
130.07809	2.9
131.08563	19.2
132.08907	0.9
141.06917	0.5
142.07809	1.0
143.08551	1.2
144.05713	0.4
144.09341	22.4
145.09734	0.9
157.10144	2.7
158.10643	0.2
159.08115	4.6
159.11682	100.0
160.12051	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	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08114	0.3
56.74775	0.3
67.05492	1.6
68.69468	0.3
69.90615	2.1
89.82733	0.4
91.05476	5.4
93.07040	0.6
98.20814	0.6
103.05447	0.5
105.07029	10.7
115.05431	2.1
116.06232	1.3
117.07022	10.5
118.07342	0.4
119.08575	10.6
120.08946	0.4
120.78646	0.3
128.06203	1.3
129.07005	11.1
130.07796	3.1
131.08568	21.9
132.08925	0.6
141.06924	0.4
142.07765	1.1
142.56691	0.4
143.08572	1.1
144.05630	0.4
144.09341	24.8
145.09718	0.7
149.28748	0.4
157.10106	3.3
158.29208	0.4
159.08150	5.0
159.11688	100.0
160.12021	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.20234	0.3
51.32027	0.3
55.05515	0.5
59.54486	0.2
65.03929	0.4
67.05509	1.2
69.34622	0.3
70.36717	0.9
71.04996	0.3
79.05468	0.4
81.03451	0.2
81.07027	0.4
91.05479	5.4
105.07030	10.8
113.02392	0.3
115.05457	1.2
115.75426	0.2
116.06269	1.3
117.07018	11.5
117.07852	0.6
118.06556	0.5
118.07355	0.4
119.08580	7.4
120.08968	0.3
128.06213	1.2
129.07019	7.8
130.07826	3.4
130.13548	0.3
131.08568	22.1
132.08900	0.6
135.60962	0.2
141.01837	1.2
141.06993	1.4
142.07751	1.0
143.08563	1.2
144.05754	1.4
144.09346	20.3
145.10121	1.3
157.10156	2.8
159.08109	7.6
159.11688	100.0
160.08545	0.3
160.12033	4.0
169.07565	0.3
171.84052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81477	0.6
67.05495	2.0
69.97022	2.4
81.26035	0.5
91.05481	4.9
91.58918	0.5
105.07029	11.6
113.02396	1.2
115.05448	1.1
116.06225	1.3
117.07024	11.8
119.08587	9.1
128.06219	1.1
129.07007	10.1
130.07782	4.4
131.08574	24.3
132.08965	0.8
135.97025	0.8
141.01825	3.6
142.07805	1.1
143.08568	1.1
144.09346	20.8
145.10033	0.9
157.10132	3.0
157.45969	0.5
159.08134	4.1
159.11694	100.0
160.06195	0.6
160.12048	3.6
165.73730	0.5
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	Unknow
Peak:m/z	Relative Intensity
67.05506	1.8
69.03424	0.3
71.04996	0.4
71.60364	0.5
76.93355	0.7
79.05505	0.5
81.07044	0.5
87.84672	0.3
91.05483	5.0
99.04415	0.5
103.05449	0.8
105.07033	11.2
113.02345	0.7
113.06010	0.3
114.09101	0.3
115.05471	1.6
116.06226	0.9
117.06219	0.6
117.07024	11.2
117.95984	0.6
119.08588	7.8
124.06599	0.3
128.06218	1.0
129.07013	8.4
130.07820	3.8
131.08571	24.6
132.08893	0.8
135.97009	0.8
141.01822	2.7
141.06978	1.0
142.07747	1.0
143.08539	1.1
144.05688	1.1
144.09346	21.2
145.09950	1.3
157.10130	3.2
158.10478	0.4
159.08110	6.7
159.11693	100.0
160.12030	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.66155	0.3
67.05490	1.4
70.29983	1.4
79.05465	0.3
91.05470	3.1
99.65799	0.3
105.07032	14.1
115.05453	1.4
116.06232	0.8
117.06214	0.7
117.07021	11.0
119.08580	6.3
119.20358	0.3
128.06233	1.0
129.07005	7.7
130.07813	2.8
131.08572	24.2
132.08920	0.7
141.01826	0.7
141.06909	0.3
142.07791	0.9
143.08582	0.9
144.09346	17.3
145.10027	1.2
157.10153	3.9
158.98807	0.3
159.11691	100.0
160.12027	4.1
179.86298	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	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91892	0.3
60.23172	0.4
61.05175	0.3
67.05491	1.9
70.92320	0.7
70.92691	0.6
91.05481	5.2
105.07032	10.6
114.09184	0.3
115.05437	1.8
116.06235	1.1
117.06216	0.6
117.07021	11.4
119.08578	8.0
128.06194	0.9
129.07008	8.6
129.07791	0.2
130.07813	3.7
131.08569	24.8
132.08888	0.9
133.06480	0.3
141.01791	0.6
141.06999	1.4
142.07777	1.1
143.08546	1.3
144.05704	1.5
144.09343	21.2
145.10118	1.4
157.10120	2.6
159.08095	8.9
159.11690	100.0
160.08478	0.7
160.12036	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
54.12625	0.3
57.03412	0.3
63.31466	0.3
65.80117	0.2
67.05513	1.9
69.31176	0.9
69.31602	2.2
71.04960	0.5
72.04496	0.3
72.08144	0.3
75.87307	0.2
76.93348	0.5
79.05480	0.6
91.05479	4.1
98.64489	0.3
99.04426	0.5
103.05446	0.4
105.07029	12.2
105.99944	0.3
113.02332	0.8
113.05960	0.4
114.09291	0.3
115.05437	1.3
116.06221	1.0
116.98665	0.3
117.07018	12.3
117.95988	0.5
118.06527	1.0
118.07297	0.4
119.07794	0.5
119.08583	8.2
128.06216	1.0
129.07008	8.6
130.06419	0.3
130.07809	3.5
131.04872	0.6
131.08566	22.7
132.08904	0.8
134.99738	0.4
135.97046	0.5
141.01845	3.1
142.07753	1.3
143.08562	1.2
144.05586	0.4
144.09344	19.5
145.06516	0.4
145.10172	2.6
157.10132	3.1
158.98657	0.4
159.08157	2.5
159.11687	100.0
160.06119	0.3
160.07468	0.4
160.12025	5.0
165.04958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.96564	0.9
57.03428	0.4
67.05499	1.8
70.06590	0.6
71.61678	0.7
72.04511	0.5
72.31413	0.4
74.09674	0.5
76.92945	0.4
76.93363	2.6
79.05489	0.4
81.07058	0.4
91.05492	5.2
93.07066	0.6
95.31220	0.4
98.97610	0.4
100.07623	0.4
105.07032	11.8
113.02368	0.9
114.05523	0.6
115.05476	1.3
116.06225	1.3
116.98643	0.5
117.07027	13.1
117.95952	2.0
119.08584	7.3
128.06189	1.1
129.07022	8.6
130.07845	3.2
131.08575	21.6
132.08939	1.2
135.97014	1.9
141.01802	4.1
142.07782	1.3
143.08583	1.4
144.09355	21.4
144.42914	0.4
145.10008	1.4
157.10133	2.8
159.08156	4.2
159.11697	100.0
160.06100	0.5
160.07443	0.5
160.12000	4.8
173.61676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.01836	0.4
56.96555	1.1
57.03418	0.4
65.39153	0.4
67.05499	2.6
69.03406	0.8
70.06568	0.7
70.21484	1.6
70.21896	0.8
71.04976	1.0
71.06908	0.5
72.04492	0.6
76.92858	1.4
76.93358	4.2
81.07046	0.6
85.02908	0.6
91.04957	0.7
91.05479	6.4
94.94386	1.7
95.04959	0.9
98.97562	0.6
103.05442	0.8
105.07029	14.9
106.07353	0.4
113.02372	1.8
115.05460	2.1
116.06251	1.2
116.98597	1.2
117.07014	15.0
117.95969	3.9
118.06522	1.2
119.08577	8.0
128.06235	1.2
129.07002	9.6
130.07765	4.2
131.04906	0.6
131.08560	24.6
132.08926	0.9
134.99629	1.4
135.97014	3.9
141.01807	6.0
141.06940	0.7
142.07748	0.5
143.08548	1.4
144.05693	1.0
144.09352	20.9
145.09668	1.0
157.10115	4.0
158.98637	1.3
159.04428	0.7
159.08099	7.2
159.11684	100.0
160.12033	4.9
171.25307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
55.05527	0.6
56.05019	2.1
56.93016	0.4
56.96560	4.1
57.03436	0.9
57.07083	1.1
58.06597	1.0
59.06125	3.3
60.04521	1.4
67.05502	0.6
68.05030	0.7
69.03430	0.7
69.04600	0.4
70.06592	0.7
70.18948	1.8
70.41656	0.4
71.04993	2.2
71.06114	0.8
72.04523	1.9
72.08160	1.5
73.87583	0.4
74.06075	1.0
75.94199	0.4
76.04005	0.7
76.93378	2.2
79.05475	0.6
80.05004	0.4
81.03442	0.7
81.04540	0.6
81.07071	0.5
83.06093	1.0
84.04507	1.9
85.02891	0.9
85.07667	1.1
86.06068	1.1
87.05584	0.8
88.05896	0.5
91.05480	0.8
94.94394	0.6
95.06092	1.0
96.04442	0.6
97.07676	0.5
98.06045	0.6
98.21538	0.5
98.97578	7.2
99.04453	1.2
99.05566	1.8
99.97918	1.0
100.03992	0.8
102.05528	0.8
103.05476	0.4
105.07033	1.5
111.05563	0.4
113.02363	1.6
113.06016	0.8
113.07117	1.7
114.05521	1.1
114.09180	0.5
115.05453	25.3
116.04971	0.5
116.05776	0.8
116.98614	10.8
117.05764	10.1
117.06521	0.8
117.95997	2.3
117.98976	1.3
118.06548	7.9
118.96786	1.0
119.01950	0.6
130.06523	23.7
131.04985	0.4
131.06833	4.1
131.08586	1.3
132.08084	86.2
133.08429	2.6
134.99651	10.6
135.97076	2.0
135.99976	1.6
140.00177	0.5
140.04994	0.7
141.01823	3.2
141.06584	1.2
142.06514	53.8
143.06944	1.4
144.09409	0.7
153.00687	2.8
158.01233	0.6
158.08380	1.4
159.07965	3.8
159.09166	100.0
159.11502	3.2
160.06223	0.8
160.07571	17.1
160.09558	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	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98632	0.6
55.01885	0.6
55.05511	1.0
55.20618	0.4
56.05037	0.8
56.96565	17.0
57.03438	0.5
57.93552	0.4
58.06586	1.6
59.06121	0.4
62.35315	0.4
70.06596	3.4
71.04985	0.9
71.06076	0.5
71.08493	1.0
71.95266	2.0
72.08154	0.5
83.06116	0.7
84.04504	0.6
84.08150	2.1
87.05605	0.9
98.06058	2.9
98.97584	97.2
99.97940	0.7
110.07173	0.9
112.07598	2.3
116.07094	1.3
116.98619	100.0
117.98945	0.6
118.03521	1.1
119.01910	2.1
121.01679	1.0
123.30403	0.4
126.00754	0.6
127.01518	1.1
134.02983	1.5
134.99657	74.5
135.99988	0.5
136.04509	0.4
137.00117	0.5
137.02933	0.9
139.02701	0.8
140.00201	3.7
143.01884	0.8
144.03215	1.0
147.05762	0.5
152.96910	0.4
153.00711	11.3
158.01233	4.3
158.08089	1.5
158.09575	2.4
158.11749	1.0
158.12869	1.2
158.15405	2.2
158.99739	0.6
161.02937	1.2
174.99808	0.4
176.02318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	0.8
55.05511	7.3
56.05036	10.1
56.96566	19.0
57.03439	11.4
57.04549	1.9
57.07059	2.9
57.93556	1.8
58.02949	2.6
58.06605	4.7
59.06129	15.8
60.04525	35.8
63.41618	0.8
67.05496	3.1
68.05015	3.3
69.03434	1.4
69.04552	1.0
69.07069	10.1
69.81092	6.0
70.06242	1.3
70.06595	15.6
71.04978	3.1
71.06099	3.1
71.95256	2.5
72.04519	6.1
72.08146	2.1
73.04030	1.7
74.06081	9.1
74.93830	0.9
75.05589	3.6
75.94582	1.7
76.04008	2.1
76.93374	8.6
79.01817	1.0
79.05479	6.4
81.04533	2.8
81.07059	41.0
82.02946	1.8
82.06568	3.2
82.83898	0.9
83.04966	2.8
83.06088	9.4
84.04516	6.1
84.08133	3.3
85.02913	1.6
85.06550	1.0
85.07663	2.6
86.06068	4.0
86.08437	1.5
86.09299	0.9
86.09715	10.8
87.00830	1.3
87.05592	40.6
88.03981	1.0
88.07616	1.9
89.03902	2.4
91.05475	3.3
94.94370	1.7
95.04977	1.6
95.06113	4.4
95.08599	7.7
96.04457	1.9
96.08080	0.9
97.06532	1.5
97.07648	3.1
97.99181	1.2
98.06071	5.8
98.07182	7.8
98.09697	39.3
98.97585	66.2
99.04452	3.5
99.05582	10.4
99.08097	37.6
99.09137	1.5
100.03962	2.5
100.07617	4.7
101.07142	2.3
102.05516	1.1
102.09174	3.1
103.05419	1.2
110.07150	3.0
111.05558	2.5
111.07944	1.6
111.09212	2.6
112.07616	9.7
113.02356	2.3
113.05951	1.9
113.07148	4.7
114.05518	1.5
115.05463	1.1
115.08697	1.9
116.07081	4.3
116.08190	1.5
116.10739	10.0
116.97218	7.6
116.98619	89.1
117.01868	2.0
117.03386	2.9
117.06611	2.8
117.95979	9.4
117.98884	1.2
118.96761	1.0
122.07160	1.0
123.05591	1.9
123.08057	2.7
128.10735	12.0
130.06512	6.5
131.04942	1.4
131.08508	3.0
131.99542	0.9
133.97475	0.9
134.99660	100.0
135.97023	7.8
136.00008	1.6
140.00162	4.2
140.07063	2.9
140.08182	4.5
140.10722	4.3
141.01825	6.8
141.06564	5.7
141.09081	2.3
141.10229	2.9
144.05688	2.5
144.09320	1.2
148.96176	1.6
152.96887	3.9
153.00711	23.7
158.01242	7.3
158.06064	6.1
158.08087	4.8
158.09555	28.8
158.11757	43.7
158.12874	2.4
158.15398	7.4
159.03000	1.0
159.07999	10.5
159.10210	1.3
159.11713	5.1
173.47845	0.8
176.02325	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	12.8
70.05771	3.8
71.26468	1.0
71.32359	0.9
71.95257	1.9
87.00079	1.1
98.97589	100.0
101.92486	1.0
116.98626	99.2
118.03528	1.7
119.01958	1.3
120.68348	1.0
133.55821	0.9
134.99663	62.6
136.00038	1.1
140.00192	3.4
153.00714	11.8
153.47820	1.3
158.01236	4.6
176.94485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1225
Annotation	60046-50-6
Peak:m/z	Relative Intensity
50.19323	1.0
51.62170	0.9
53.03941	1.9
54.03467	1.0
55.01669	1.1
55.01875	11.5
55.05264	1.7
55.05516	26.4
56.05036	7.9
56.96294	1.9
56.96568	32.6
57.03437	10.0
57.04560	2.5
57.07059	3.2
57.93562	1.9
58.02961	1.3
58.06586	4.5
59.04985	3.7
59.06125	15.8
60.04535	5.9
65.03928	3.6
65.11754	0.9
67.05504	14.3
68.05020	2.0
69.03123	1.1
69.03432	11.9
69.04515	1.5
69.07071	100.0
69.99012	4.5
70.06599	14.4
70.07390	1.3
70.67313	1.0
70.95854	1.9
71.04996	38.0
71.06096	2.8
71.95267	2.4
71.95908	1.3
72.04504	4.8
72.08144	4.0
72.76395	1.1
72.93777	2.7
73.02906	2.1
73.04028	1.9
73.06567	1.9
74.06076	1.9
74.93837	31.3
75.05582	3.8
75.58064	1.1
79.05495	16.8
81.03396	1.2
81.04533	1.9
81.07059	53.3
82.02962	1.1
82.06576	2.6
82.07375	2.5
83.01333	1.5
83.04987	20.6
83.06093	7.7
83.08621	9.4
84.04496	4.6
84.05614	1.4
84.08136	3.5
85.02888	2.7
85.06535	4.6
85.07658	2.8
86.06051	3.3
86.08453	1.3
86.09702	4.6
87.04471	8.0
87.05595	32.3
87.08108	6.6
88.07609	1.3
89.03912	1.2
91.05484	3.4
92.94865	10.3
93.03426	1.9
93.07051	31.8
94.07355	1.8
95.04964	15.9
95.06061	2.9
95.08608	19.7
96.04494	2.3
97.02904	7.3
97.06536	67.0
97.07622	5.0
97.10168	9.2
97.99179	1.5
98.06079	8.4
98.07202	7.4
98.97586	41.4
99.04447	3.5
99.05582	8.8
99.08093	13.6
99.09199	1.3
100.03989	1.3
100.07611	3.5
101.07169	2.4
102.05534	1.6
102.09187	2.0
108.19996	1.1
109.10154	3.7
110.07170	2.3
110.95905	2.1
111.04457	10.3
111.05569	10.5
111.08093	8.4
111.09211	2.7
111.11730	14.5
111.76912	1.1
112.03978	1.5
112.07607	10.1
112.08292	1.2
112.08760	1.7
113.02362	1.0
113.07157	2.5
114.05555	1.6
114.06675	2.5
114.09119	1.8
114.10283	1.8
115.03937	1.3
115.05068	1.3
115.08698	1.5
115.95667	2.0
115.96447	31.1
116.00219	2.5
116.07075	4.0
116.97224	6.7
116.98619	57.4
117.03424	1.5
117.06589	1.4
121.02881	1.7
121.10146	21.3
123.05535	2.2
128.07060	1.2
129.01852	1.8
129.07092	4.8
130.06548	11.4
130.08661	1.2
131.97493	1.4
133.95972	1.5
133.97479	33.2
134.01285	2.3
134.99658	95.5
139.03880	3.2
139.04875	1.3
139.07515	3.7
139.11185	35.9
140.00151	3.3
140.07050	3.6
140.08194	4.1
140.11623	1.3
141.06683	1.7
141.10243	1.4
142.07797	12.3
150.96878	3.6
151.97076	4.8
151.98418	1.5
152.96968	1.3
153.00710	27.0
154.94159	1.3
156.99077	4.0
157.01332	6.5
157.04906	4.8
157.06262	5.1
157.07539	2.6
157.09880	8.3
157.12241	10.5
157.13405	2.2
158.01274	9.6
158.04352	0.9
158.06120	5.6
158.08112	6.6
158.09599	19.8
158.11647	1.8
158.12909	1.4
158.15427	3.1
172.95227	1.8
174.98715	1.0
176.02237	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38145	1.0
52.09024	0.9
53.03927	1.8
53.89079	0.9
55.01862	2.6
55.05514	15.5
56.05023	3.7
56.58565	0.8
56.96564	15.0
57.03433	3.8
57.04552	1.2
57.07059	1.8
57.93554	1.4
58.06583	3.0
59.04989	2.7
59.06120	7.9
60.04523	2.1
65.03951	1.3
67.05501	7.4
68.05035	1.5
69.03424	5.2
69.07068	100.0
70.06597	11.4
70.07388	1.3
70.95865	1.1
71.04993	41.7
71.06103	2.4
72.04520	2.4
72.08154	9.4
72.93805	1.6
73.02946	1.0
73.04012	1.9
74.06064	1.3
74.93822	15.1
75.05610	2.1
79.05479	3.7
80.05857	1.0
81.04545	1.7
81.07051	7.3
82.06603	1.3
83.01346	1.1
83.04974	8.2
83.06101	4.4
83.08620	3.4
84.04512	1.7
84.05663	1.0
84.08137	2.9
85.02916	1.2
85.06538	2.3
85.07662	1.2
86.06078	1.2
86.08389	1.1
86.09671	5.4
87.04459	1.0
87.05593	18.5
87.08102	5.6
91.05483	2.0
92.94875	4.7
93.04561	0.9
93.07047	8.9
94.06551	1.1
94.07318	0.9
95.04969	6.3
95.06081	1.8
95.08614	8.5
96.04536	1.0
96.05653	1.0
96.08141	1.2
97.02892	5.0
97.06536	19.4
97.07644	3.2
97.10165	6.5
98.06080	5.8
98.07157	3.6
98.20802	2.2
98.97580	18.2
99.04474	2.1
99.05573	4.2
99.08089	13.7
99.09144	1.1
100.04036	0.8
100.07597	1.6
101.06033	0.9
102.09187	0.9
109.10127	1.1
110.07162	2.0
111.04443	8.0
111.05554	3.8
111.08044	3.4
111.09221	1.6
111.11723	15.4
112.07607	7.3
112.08717	1.5
113.03550	1.0
113.05959	1.4
113.07154	0.9
114.06652	1.7
114.10325	1.8
115.03971	1.1
115.08708	1.3
115.96442	17.7
116.00210	1.4
116.07094	2.7
116.08228	1.5
116.97210	2.6
116.98611	22.8
121.10143	6.1
122.04877	1.6
123.05598	1.2
129.06989	4.8
129.10217	2.1
130.06509	11.5
131.05476	1.7
133.66077	1.0
133.97478	14.9
134.99658	30.8
139.03917	3.3
139.07567	2.0
139.08568	1.2
139.11176	10.1
140.00154	1.0
140.07074	3.6
140.08228	3.2
141.06747	1.2
142.07782	10.4
150.96956	1.0
151.97021	2.1
152.94733	1.0
153.00679	8.1
157.01346	3.2
157.04942	2.4
157.06349	2.4
157.07661	3.0
157.10045	10.3
157.12178	2.2
158.01285	3.6
158.06099	6.5
158.08121	4.7
158.09634	18.6
158.15408	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	157.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98658	0.4
55.01860	0.1
55.05514	0.2
55.81399	0.1
56.05051	0.1
56.96566	16.4
57.03436	0.1
57.07066	0.1
57.93558	0.2
57.97364	0.3
58.01469	0.1
58.06592	0.1
58.35970	0.1
58.99852	0.1
59.06115	0.3
67.05498	0.1
68.05058	0.1
69.03432	0.1
69.07062	0.1
70.06590	0.1
70.46379	0.2
71.95270	2.0
72.04530	0.1
72.26791	0.1
74.06090	0.1
74.93192	0.1
74.93831	1.0
74.97604	0.3
75.98392	0.1
76.02521	0.1
77.00897	0.2
79.05476	0.1
81.03422	0.1
81.04553	0.1
81.07065	0.1
82.01430	0.1
83.04989	0.1
83.06125	0.2
84.04535	0.1
85.02909	0.1
85.07656	0.1
87.05598	0.3
87.50064	0.1
91.05516	0.2
92.94868	0.3
93.07036	0.2
95.01940	0.2
95.04951	0.1
95.06104	0.1
96.50568	0.5
97.02900	0.1
97.06532	0.2
97.07719	0.1
97.99191	0.5
98.00911	0.1
98.06065	0.1
98.97585	60.5
99.05577	0.2
100.02468	1.2
101.00874	0.3
101.02593	0.1
102.01577	0.1
102.02249	0.2
102.03394	0.1
103.02412	0.1
105.07019	0.2
105.51072	0.2
111.02036	0.1
111.04461	0.2
111.05566	0.2
111.08041	0.2
111.98471	0.1
112.07607	0.1
112.08670	0.1
113.01743	0.1
115.02401	0.1
115.04135	0.1
115.96455	1.0
116.00244	0.9
116.01070	0.1
116.01951	1.6
116.98622	84.3
117.06618	0.1
118.03515	2.4
118.54237	0.1
118.99043	0.2
119.01916	2.8
119.03641	0.1
120.02012	0.2
121.01694	0.1
121.02840	0.1
122.02267	0.1
122.03068	0.1
123.49236	0.2
124.04651	0.2
124.52461	0.1
125.05297	0.1
129.07016	0.1
129.30414	0.1
129.99487	0.2
131.00145	0.1
131.01799	0.1
131.55432	0.1
132.02548	0.1
132.49748	0.5
133.03539	0.7
133.04427	0.1
133.05200	0.2
133.97472	0.9
134.01276	0.5
134.02989	11.5
134.04747	0.7
134.07574	0.1
134.53719	0.2
134.57542	0.1
134.99657	100.0
136.00136	0.1
136.03596	0.1
136.04544	1.0
137.00093	0.4
137.01132	0.1
137.02953	1.4
139.03555	0.4
140.00188	3.7
141.05106	0.1
141.50256	0.7
142.03529	0.3
142.07759	0.1
143.03760	0.1
144.00517	0.1
145.06752	0.2
145.56924	0.1
146.06610	0.1
147.04933	0.1
149.01202	0.2
149.06549	0.1
150.96840	0.1
151.04520	0.2
151.06230	0.1
151.97119	0.2
152.02216	0.2
152.04016	2.5
152.05743	0.4
153.00710	22.3
154.07376	0.1
155.01089	0.1
157.03453	0.1
157.04582	3.6
157.09949	0.2
158.01260	8.8
158.02893	0.4
158.04713	0.3
158.08247	0.1
158.09482	0.4
159.01555	0.2
160.04532	0.1
162.04329	0.1
163.02753	0.1
171.01855	0.1
175.02721	0.2
175.04320	0.2
175.05649	0.4
176.02299	1.9
176.04022	0.9
176.05577	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	L-Histidine
Peak:m/z	Relative Intensity
56.05028	0.6
56.96557	0.4
68.05038	0.5
71.12295	0.2
71.12645	0.5
72.81749	0.2
74.09712	2.2
81.04547	0.8
82.05314	1.6
83.06106	8.2
93.03993	0.4
93.04531	4.8
93.05076	0.4
95.06091	7.3
96.96944	0.4
99.59980	0.2
100.02442	0.3
101.00867	0.4
110.07164	100.0
111.05559	0.8
111.06828	0.4
111.07478	1.8
112.96741	0.2
119.01920	3.5
124.02476	0.2
125.07096	0.8
130.06317	1.8
131.01974	0.2
133.03481	0.7
136.26974	0.2
137.02937	1.1
142.03510	2.0
143.03708	0.2
150.96875	0.4
151.04491	0.2
156.04214	14.3
156.07677	13.1
157.04611	0.2
157.92746	0.2
160.04572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	Histidine
Peak:m/z	Relative Intensity
55.01867	0.7
55.05509	0.6
56.05044	1.2
56.96558	2.2
57.03432	1.0
58.06610	0.4
58.09828	0.3
61.02928	1.0
68.05025	1.0
69.03448	0.4
69.07052	0.9
70.06602	0.5
70.95860	1.5
71.05002	0.7
71.58300	0.5
72.08144	0.7
72.93790	0.7
73.02913	0.3
74.06100	0.3
74.09710	1.4
75.32237	0.3
77.00887	0.3
78.52964	1.1
81.04538	1.0
82.01448	0.4
82.05325	2.2
82.06580	0.4
82.26669	0.4
82.99846	0.4
83.05002	0.6
83.06103	8.8
83.06596	0.5
84.04491	0.7
84.08157	0.3
85.02924	0.6
86.06052	1.0
86.52750	0.3
87.53478	0.5
88.96902	0.4
89.00794	0.4
92.52702	0.7
93.04533	5.9
94.06595	0.3
95.01312	0.4
95.04984	0.6
95.06088	7.8
96.04487	0.4
96.06930	0.4
97.02948	0.4
97.07660	1.8
98.97513	0.4
100.02485	3.0
101.00877	5.3
103.02399	0.6
106.01153	0.3
109.03546	0.5
109.52942	0.4
110.07164	100.0
110.09626	1.6
111.02001	0.3
111.05547	1.6
111.06812	0.6
111.07505	1.9
111.98471	0.6
114.04002	0.5
114.09125	0.4
115.02416	0.9
115.96491	0.6
118.01184	0.4
118.03517	2.1
119.01921	35.0
120.00710	0.3
120.01970	2.1
121.01614	0.3
121.03520	0.4
124.02450	1.1
124.03693	1.5
124.06345	0.4
125.07114	8.6
128.04027	0.4
128.08194	1.3
129.03983	0.3
129.04840	1.8
129.99586	0.5
130.06293	1.6
131.01904	1.1
132.01999	0.6
132.05058	0.8
132.95854	1.4
133.01656	1.3
133.03453	6.2
134.02931	0.5
137.02954	14.6
138.03033	1.0
138.05525	0.4
138.06578	0.3
138.09142	0.3
139.05025	0.6
139.08664	0.9
142.03502	17.4
143.03610	1.3
144.03218	0.5
149.02985	0.3
150.96927	3.3
151.02702	0.3
151.04521	2.1
156.04170	8.0
156.07668	12.9
156.10202	1.6
157.04379	2.4
157.08447	0.5
157.09691	2.9
160.04546	8.6
161.01286	0.3
161.04718	0.5
165.05072	0.7
173.98357	0.3
174.06116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	8.1
68.49536	4.8
70.95872	6.9
71.50240	8.3
72.93785	11.0
74.09714	15.0
82.06589	5.6
84.04497	8.2
84.08185	5.6
88.11150	5.2
88.96925	5.3
90.51205	6.3
95.04985	7.6
98.04801	100.0
110.02396	11.5
110.06017	9.2
110.07205	7.6
111.04454	9.2
112.08764	5.5
114.05544	11.2
114.06639	22.2
126.04122	5.0
128.07121	7.1
130.06323	16.9
133.26413	5.0
138.05522	15.3
138.06601	10.8
139.07460	48.5
140.02596	6.0
141.05290	5.9
142.07819	9.7
150.96922	36.2
155.97433	7.8
156.03015	11.2
156.04198	69.5
156.06563	15.1
156.08046	13.0
156.10274	7.8
157.10182	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00413	1.6
55.05497	5.0
56.05024	8.5
57.02169	3.0
57.04556	2.0
57.57875	1.7
58.06579	3.7
59.06107	7.5
60.04499	2.4
63.71165	1.8
67.05496	3.7
68.05016	3.2
69.03435	2.3
69.04491	1.7
69.07043	2.1
70.06593	10.7
70.06903	1.9
70.93536	6.0
70.95864	18.9
71.06097	5.6
72.04510	2.9
72.05649	3.9
72.08142	4.7
72.93789	15.5
73.02905	2.0
73.07677	2.1
74.06062	3.4
74.09722	12.7
75.82678	1.8
81.04509	4.3
81.07048	2.0
82.06559	2.9
83.04980	3.5
83.06101	4.4
84.04494	7.3
84.08132	2.7
85.04018	7.0
85.07655	3.7
86.06043	2.9
86.07207	2.1
86.09676	2.5
87.05592	2.7
88.96900	9.1
90.94811	3.3
91.53688	1.9
93.07077	1.9
95.05003	2.9
95.06130	2.1
96.04441	2.1
96.05611	3.4
96.08177	2.3
97.02860	2.6
97.03992	4.6
97.06485	4.4
97.07667	13.0
98.04794	100.0
98.06081	3.8
98.07175	4.3
98.09683	8.6
99.05603	1.8
106.97954	2.1
110.02401	6.2
110.06023	4.8
110.07166	2.9
111.04451	3.4
111.09207	8.3
111.98496	9.7
112.08773	11.1
113.07104	4.8
113.10757	3.6
113.96421	4.2
114.05514	3.4
114.05785	2.9
114.06656	32.2
114.10297	6.0
115.05003	3.1
115.08685	3.7
115.10639	6.0
128.07042	3.2
129.10246	2.3
129.99506	6.5
130.06303	10.5
131.97444	3.2
132.95828	14.1
136.79166	1.9
138.05577	4.4
138.06610	8.3
138.10202	2.2
139.07416	57.2
139.08505	3.8
139.10542	3.1
139.12286	4.3
141.05331	9.2
141.06952	2.9
150.96880	47.8
153.01099	5.6
155.97398	9.3
156.02921	5.0
156.04211	93.9
156.06509	7.0
156.07579	12.8
156.10196	3.2
156.11325	21.0
156.13284	6.9
157.01350	3.1
168.97971	5.8
173.98497	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	156.0421
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
50.85865	0.7
59.62401	0.8
66.31581	0.8
73.08759	0.7
74.09719	18.2
96.96912	3.5
98.20718	1.9
112.05269	1.1
130.06317	16.3
147.83418	0.8
152.82745	0.6
156.04221	100.0
157.04637	1.3
160.02385	0.8
163.07213	0.8
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
55.16631	42.6
69.24226	36.0
70.86294	100.0
82.60833	41.9
95.94357	39.7
98.04797	97.7
114.06623	38.0
159.49486	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	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78095	3.1
56.05036	4.8
58.06592	4.2
59.90809	3.3
60.16256	3.0
70.06578	5.3
70.95861	8.4
71.09866	8.4
72.08128	6.6
72.93775	6.8
74.09708	11.5
81.04561	3.0
94.79795	4.2
96.08128	4.5
97.07627	11.3
98.04774	5.2
98.07195	3.9
98.09721	6.5
111.09165	6.7
111.98499	7.1
112.08745	7.4
113.07156	5.1
113.96347	3.5
114.02966	3.5
114.06661	12.5
114.10318	4.4
129.99515	5.8
130.06296	14.3
132.95865	4.5
150.96892	38.0
156.04213	100.0
156.07829	7.1
156.11316	14.5
156.13286	4.4
173.98502	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	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.6
56.05032	5.2
57.02168	2.5
58.06601	3.6
59.06108	3.5
59.07369	2.2
70.06587	7.6
70.83832	3.5
70.95856	6.6
71.06104	1.7
72.04526	1.9
72.08156	5.1
72.93780	8.1
74.06064	2.2
74.09718	21.0
82.19593	1.8
85.07671	3.2
88.96886	2.0
95.06079	1.8
96.05600	2.8
96.96902	2.6
97.07664	8.7
97.74891	1.7
98.04214	3.3
98.04803	43.1
98.09692	6.9
110.06055	2.5
111.09241	5.3
111.98504	1.9
112.08740	3.9
113.07107	3.1
114.06680	13.7
114.10288	4.2
115.10613	2.5
124.05075	2.1
129.10278	3.0
130.06310	20.3
132.95850	6.4
138.05556	4.2
138.06612	4.9
139.07404	28.9
139.12285	2.2
141.05386	3.1
150.96904	8.5
156.04222	100.0
156.06433	4.3
156.07677	3.5
156.10277	2.0
156.11356	13.4
156.13300	2.6
157.09752	2.3
172.83395	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.03941	1.4
55.05511	5.0
56.96555	1.5
57.07077	4.1
59.05001	3.7
65.03927	1.1
67.05167	1.2
67.05508	14.3
69.03413	0.8
69.07069	34.9
70.07400	1.0
70.95849	1.1
71.04985	2.7
71.08624	3.2
71.60514	1.0
72.93790	32.0
73.06535	0.8
73.52337	0.7
76.01958	0.7
79.05492	5.3
81.03442	1.1
81.07056	100.0
82.06579	1.2
82.07398	2.1
83.04971	2.2
83.08631	2.0
85.06540	12.7
85.07018	1.2
90.94820	8.7
91.05463	1.2
93.07042	1.6
95.04966	4.6
95.08605	33.6
96.08942	1.5
97.02883	1.1
97.10177	0.8
99.04485	0.8
99.08104	3.9
108.95870	1.6
109.02911	0.9
109.06522	2.5
109.10163	7.5
110.06018	1.0
111.04439	1.9
111.11729	5.5
113.96407	21.9
123.04441	1.1
127.03938	1.2
127.07563	1.5
131.97440	19.0
132.95840	1.5
137.02303	1.0
137.06052	1.1
137.09639	1.5
137.13258	8.8
150.96918	2.6
154.99051	2.5
155.03404	1.8
155.07050	4.4
155.08469	2.5
155.10678	1.5
155.14313	20.1
156.04247	2.4
156.06561	1.3
156.14619	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.03941	0.9
55.01873	0.8
55.05517	6.6
57.07071	4.0
59.04998	1.8
64.48876	0.5
65.03936	0.6
67.05169	0.9
67.05511	14.1
69.07072	40.7
70.35023	2.0
70.95861	0.7
71.04987	1.3
71.06115	0.6
71.08629	2.3
72.93795	15.8
76.87176	0.5
79.05488	5.4
81.07061	100.0
82.07402	3.3
83.04989	1.6
83.08619	1.5
84.04539	0.5
85.02937	0.7
85.06548	7.8
90.94843	3.7
93.07068	1.9
95.04979	2.2
95.08613	51.2
96.08953	1.6
97.02905	1.1
97.10165	3.4
98.68848	0.6
99.04482	0.8
99.08088	2.1
109.06536	1.6
109.10160	9.4
110.06064	0.9
111.04449	1.4
111.11722	17.7
113.06011	0.9
113.96404	9.6
123.04464	1.0
131.97455	9.2
132.95866	1.1
137.09723	0.7
137.13260	15.3
137.14235	1.1
150.96913	1.8
154.99045	0.8
155.03413	1.2
155.07053	2.4
155.08493	1.6
155.14305	11.1
156.07971	0.7
156.14738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.03955	0.9
55.05512	6.4
57.03441	0.4
57.07075	3.7
59.05010	1.7
60.42671	0.3
65.03945	0.4
67.05508	11.3
68.05032	0.3
69.03443	0.4
69.07072	36.2
70.07408	0.8
70.25638	0.3
70.65736	0.4
70.66072	0.7
71.04997	2.2
71.08630	2.1
72.08150	0.3
72.93793	13.5
73.06571	0.3
79.05499	5.8
80.10038	0.4
81.07059	100.0
82.07381	2.6
83.04989	1.0
83.08626	1.2
84.08100	0.3
85.06543	11.1
86.09711	0.5
87.59120	0.3
88.96904	0.4
89.14904	0.3
90.94831	2.9
91.05457	0.5
93.07055	1.2
95.04978	1.9
95.08610	48.7
96.05635	0.3
96.08943	1.1
97.02874	0.4
97.06545	0.3
97.07644	0.5
97.10178	3.2
99.04449	0.4
99.08110	2.7
99.27869	0.3
108.95888	0.8
109.06543	0.8
109.10157	7.5
110.06041	0.6
110.09711	0.6
111.04443	0.9
111.11723	16.1
112.08731	1.0
112.12070	0.4
113.06026	0.8
113.96410	8.7
114.06655	0.5
127.03926	0.5
127.07563	0.5
131.97443	8.0
132.95840	0.5
132.97519	0.4
137.02368	0.5
137.05981	0.4
137.13264	15.2
138.09192	0.5
138.13614	0.8
150.96907	1.3
154.99025	1.5
155.03374	0.5
155.07022	2.2
155.08435	1.3
155.10683	0.5
155.13065	0.5
155.14299	13.6
156.04184	1.4
156.06671	0.3
156.08080	1.3
156.10197	1.1
156.14635	0.6
172.06383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03937	2.6
55.01871	1.7
55.05260	1.4
55.05510	17.9
55.93534	1.0
56.05011	1.2
56.96560	1.9
57.03438	4.5
57.04555	1.0
57.07079	7.6
57.31532	0.8
58.06615	0.9
59.05011	4.4
59.06129	1.4
60.04515	1.0
62.38734	0.8
65.03933	2.3
67.02988	0.8
67.05504	47.6
68.05833	0.7
69.03414	1.4
69.07066	26.0
70.77075	1.6
70.77462	1.5
70.95860	6.9
71.01352	8.3
71.04992	55.2
71.08613	1.9
72.04526	0.9
72.08154	1.0
72.93787	100.0
73.02907	0.9
74.09718	0.9
79.05482	9.6
81.03411	2.2
81.04543	1.2
81.07055	66.6
82.07409	1.1
83.04974	6.5
83.06107	1.5
83.08610	3.2
85.02900	1.1
85.06535	8.1
85.07639	1.4
86.06075	0.8
88.96916	2.0
90.94828	22.3
91.05487	4.7
93.07034	6.3
95.04967	15.6
95.06067	0.9
95.08604	49.8
96.05621	3.2
96.08954	1.4
97.02905	0.8
97.06519	2.7
97.07651	2.3
97.10181	1.1
98.07153	1.6
98.98407	0.9
99.04453	35.0
99.05528	1.6
99.08067	5.6
101.06021	1.2
107.08605	2.1
108.95856	4.8
109.02881	1.8
109.06514	8.8
109.07660	1.1
109.10154	55.6
110.06074	1.4
110.07173	1.6
110.10455	1.2
111.04444	3.3
111.05540	0.9
111.08101	4.2
111.98498	2.3
112.08729	2.0
112.09489	0.8
113.06012	6.6
113.08244	1.3
113.09689	0.9
113.96397	57.1
114.06652	3.0
119.08553	2.0
123.04449	2.1
127.03914	2.8
127.07552	2.7
127.08564	0.8
129.99536	2.4
131.97437	62.4
132.95821	8.0
132.97697	2.2
137.05992	2.6
137.09619	9.4
137.13239	7.9
138.06580	1.8
138.46028	0.7
140.04674	1.9
147.06395	0.7
149.97276	1.7
149.98392	0.9
150.96889	21.9
154.99026	5.5
155.03398	3.1
155.07031	8.6
155.08423	2.9
155.09309	1.3
155.10660	8.9
155.12891	2.3
155.14311	10.3
155.97469	1.3
156.04228	3.8
156.06544	1.3
156.07710	1.4
169.29532	0.8
173.98534	2.9
174.06470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
54.70063	0.5
55.01870	0.6
55.05516	3.6
57.03436	0.9
57.07057	1.5
57.80228	0.5
58.05592	0.5
59.04987	0.5
65.03939	1.3
67.05501	33.4
68.05828	0.9
69.03433	0.7
69.07056	4.0
70.95811	0.5
71.04980	1.4
71.08644	0.9
71.57813	0.6
72.93790	7.6
73.06543	1.9
73.07694	0.6
74.09705	2.1
79.05487	1.4
81.07051	10.2
83.04974	1.5
85.02882	0.6
85.06529	0.9
90.94815	3.2
91.05436	1.0
93.07021	1.9
95.04961	3.3
95.08604	11.4
97.02903	0.8
97.06530	1.5
97.10171	1.3
98.98466	2.5
99.04439	0.7
107.08600	2.5
109.02866	1.1
109.06493	2.6
109.10149	100.0
110.02407	0.5
110.06045	1.2
110.10504	2.8
111.04420	1.0
113.05979	0.9
113.96384	4.1
119.08578	0.8
121.10143	1.0
127.03934	1.4
127.07501	0.7
127.08550	0.6
130.06299	2.1
131.97432	4.5
132.95818	0.6
137.09608	35.5
138.05534	0.6
138.09976	0.8
139.11217	1.2
150.96918	2.0
153.06990	0.5
154.57866	0.5
154.99004	2.4
155.03403	1.8
155.07016	1.8
155.08498	3.5
155.10654	6.4
155.15359	0.6
156.04211	17.6
156.13811	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0855
Annotation	Acenaphthene
Peak:m/z	Relative Intensity
51.50870	0.3
53.03935	0.7
55.01839	0.3
55.05501	1.0
57.03439	0.3
57.07079	0.4
62.80766	0.3
65.03936	0.5
67.05173	0.4
67.05508	5.6
69.07066	0.6
70.86259	0.5
71.04987	0.4
72.93786	5.2
79.05505	0.5
81.03413	0.4
81.07063	2.2
82.06583	0.4
83.04965	0.9
85.06548	0.5
86.06026	0.2
88.43326	0.3
90.94827	2.2
91.05483	0.4
93.07024	0.4
95.04954	3.5
95.08611	1.2
97.02892	0.3
97.06511	0.4
98.98466	1.1
99.04425	0.5
103.05447	0.6
108.95866	0.4
109.02873	0.7
109.06511	1.2
109.10149	5.7
110.06046	0.6
110.10503	0.3
111.04434	0.8
111.08044	0.4
111.66405	0.2
113.06041	0.6
113.96391	3.8
114.05484	0.4
115.05454	5.6
123.04424	0.5
127.03933	0.6
127.07559	0.4
128.06216	2.7
129.05530	0.4
129.07004	5.0
131.97440	4.7
132.95871	0.3
137.02312	0.4
137.06041	0.5
137.09619	2.0
138.05498	0.4
141.06984	1.6
145.06467	1.8
150.96834	0.5
152.06224	0.4
153.06992	12.8
154.07782	6.1
154.99043	1.3
155.03384	1.2
155.08551	100.0
156.04286	1.4
156.06596	0.4
156.08919	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	155.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
54.03471	1.6
55.01873	4.0
55.05103	0.7
55.05511	17.8
55.93520	2.7
56.05042	4.7
56.05853	0.9
56.96566	100.0
57.03440	4.5
57.04564	2.0
57.07073	1.8
58.06610	2.1
59.05005	0.8
59.06132	2.9
60.04529	3.3
61.01149	2.0
61.02927	1.4
61.43727	0.8
65.03937	5.9
67.01868	0.8
67.02987	2.0
67.05506	20.9
67.05869	1.1
68.05011	3.4
68.99792	1.4
69.03423	8.7
69.04555	3.1
69.07068	2.1
69.96174	2.4
70.02946	1.6
70.06598	5.0
70.52632	2.4
70.95864	24.9
71.01351	1.9
71.04979	4.9
71.06106	1.7
71.94105	1.0
71.95259	1.5
72.04511	3.5
72.08157	2.5
72.93789	91.5
72.96049	3.5
73.02918	4.5
73.06557	12.1
74.00662	7.3
74.04825	1.2
74.06068	2.0
74.06905	0.7
74.75712	0.7
74.97599	4.0
75.05614	1.2
79.05478	3.4
80.05015	1.6
81.03421	9.1
81.04536	5.7
81.07056	11.4
82.00014	1.0
82.02941	1.1
82.05329	2.0
82.06580	3.9
83.01344	1.0
83.04990	11.6
83.06102	7.7
83.08620	1.1
83.97639	3.4
84.01597	1.5
84.02103	0.6
84.04511	2.9
84.05669	0.8
84.08136	3.3
84.96050	0.9
85.02901	9.6
85.04025	1.4
85.06574	3.4
85.07668	2.2
86.06055	2.8
87.04462	1.2
87.97271	0.7
88.03959	1.0
88.96905	13.4
89.00793	1.0
89.02435	0.9
90.01556	1.6
90.94827	36.4
91.00523	9.9
91.05497	3.3
92.03144	1.2
92.05831	2.0
92.98657	1.3
93.03413	1.0
93.04515	3.1
93.07046	3.5
94.06577	2.1
95.01337	1.3
95.04977	11.1
95.06061	6.6
95.06656	0.8
95.08596	7.6
95.52332	1.1
96.04503	3.3
96.05613	2.8
96.06387	1.0
96.08116	1.7
96.37521	0.7
97.00513	0.8
97.02328	1.3
97.02899	6.8
97.04018	2.5
97.06509	2.8
97.07643	3.0
97.99175	2.2
98.01295	1.0
98.04807	1.0
98.06075	2.1
98.07166	2.1
98.97583	12.3
98.98471	6.7
99.04472	4.6
99.05568	2.5
100.01051	5.8
100.02466	3.0
100.07594	1.8
101.98631	0.9
102.03342	1.5
102.51307	3.0
103.00494	2.0
103.02393	1.0
104.01272	0.7
104.03091	1.5
106.01037	2.8
106.97937	3.2
107.04992	1.2
107.06075	1.1
107.08585	0.9
108.05672	1.0
108.95859	12.8
109.02903	11.6
109.04025	1.1
109.06520	6.5
109.07634	9.1
109.10161	12.5
109.52090	0.9
110.01299	1.4
110.03092	0.9
110.06087	5.5
110.07169	52.2
110.09686	1.1
110.97578	1.5
111.02036	2.1
111.04456	20.5
111.05574	2.9
111.08068	2.4
111.09207	1.3
111.51824	1.4
111.98481	14.8
112.00977	10.6
112.01611	2.3
112.04018	0.9
112.04839	0.6
112.07589	2.3
112.08736	1.6
113.02365	3.0
113.03564	1.7
113.06020	6.2
113.07108	1.7
113.08263	1.1
113.10709	0.9
113.96404	46.8
113.98638	5.4
114.03016	1.0
114.05527	1.2
114.05897	0.9
114.06652	7.8
114.09141	1.0
114.94799	1.1
115.01537	1.6
116.00234	2.7
116.98621	12.3
117.03869	1.0
117.51788	1.8
118.03521	1.1
119.00195	1.1
119.01855	4.0
119.03632	1.6
119.08590	0.9
119.97338	1.1
120.00731	1.3
120.02630	1.2
120.04433	1.0
120.05580	1.3
121.01545	20.2
122.53740	1.0
123.02023	1.7
123.04423	2.5
123.07969	0.8
123.51778	3.6
125.03611	1.1
125.07082	0.9
126.04218	0.7
126.09193	1.4
127.03931	16.3
127.05921	0.8
127.07549	5.5
127.08652	1.8
128.02298	2.0
128.07074	4.0
128.08049	1.0
128.97835	8.6
128.98640	1.9
129.05489	2.2
129.99521	12.3
130.00958	0.9
130.01901	0.9
131.00174	0.9
131.01884	2.5
131.51553	1.2
131.53325	1.1
131.96237	2.3
131.97440	68.7
131.99672	24.7
132.02531	2.1
132.05061	1.9
132.52313	5.0
132.95834	22.9
133.01608	0.8
133.03397	0.9
134.01266	2.1
134.99654	9.1
136.93091	0.7
137.02283	7.1
137.05981	4.0
137.07088	2.4
137.08104	1.5
137.09596	2.1
137.10706	1.7
137.98355	12.1
138.01823	1.1
138.05447	2.4
138.06506	7.3
138.09125	2.5
139.04990	1.1
139.07521	0.8
139.08653	1.5
140.00177	1.0
140.04716	1.1
140.48615	3.0
141.03001	0.9
142.03456	1.9
143.00223	1.0
144.03159	1.0
144.04771	0.9
144.98097	1.3
146.04022	0.8
146.99687	4.0
147.03276	7.3
148.02789	0.8
149.01190	1.8
149.03023	1.3
149.49173	3.1
149.97250	13.7
149.98430	1.8
150.00742	52.1
150.06137	0.8
150.96890	90.5
153.00963	2.8
154.90729	3.9
154.94153	2.3
154.99022	7.8
155.01273	2.5
155.03372	16.1
155.04648	17.7
155.07011	23.5
155.08189	7.8
155.09233	4.4
155.10591	1.2
155.11787	2.7
155.12930	1.9
155.54854	2.3
155.97411	6.7
155.99524	0.8
156.02904	1.7
156.04172	2.3
156.06548	1.6
156.07672	9.4
156.10159	1.5
156.11353	2.7
158.99657	7.0
161.01198	2.2
161.02917	1.0
162.99130	2.7
163.02820	1.2
164.05173	10.5
164.98503	0.7
165.00708	1.3
165.04332	7.7
166.55470	3.6
167.98256	2.5
168.01820	8.9
168.97961	7.5
172.95244	7.2
172.98846	2.3
173.01141	0.8
173.02322	4.2
173.98489	13.1
174.00667	1.3
174.99226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0498
Annotation	(5R)-Carbapen-2-em-3-carboxylate
Peak:m/z	Relative Intensity
53.03940	0.6
53.20250	0.4
54.03470	1.4
55.01864	0.6
55.02977	0.4
55.05508	2.5
56.03783	0.5
56.05041	2.8
56.96564	5.9
57.04558	0.5
58.06595	1.1
59.04991	0.5
59.06123	0.6
60.04530	0.9
60.08162	0.6
65.03630	0.4
65.03933	2.2
66.04286	0.5
67.02974	0.7
67.05498	3.7
68.05019	3.9
68.05836	0.6
68.96331	2.4
69.03423	1.4
69.04544	2.2
69.07048	0.9
69.57980	2.9
69.96173	0.8
70.02949	5.2
70.06586	3.3
70.94250	1.8
71.01360	0.4
71.04996	2.1
71.06116	0.5
71.94090	2.2
71.95258	1.9
72.04513	1.3
72.08161	2.4
72.93787	23.1
73.02893	0.8
74.06892	0.5
79.05492	1.2
80.05025	1.6
80.05807	0.8
81.03397	1.9
81.04545	1.6
81.07058	3.3
82.06586	1.8
82.07380	0.8
83.03719	1.8
83.04978	2.4
83.06109	3.2
83.07365	0.5
84.04494	2.6
84.08146	1.4
85.02908	1.0
85.04050	0.6
85.07679	1.1
86.06069	1.1
86.97379	0.6
87.04470	0.9
88.95292	0.7
90.94830	7.5
91.05503	0.9
93.03391	0.5
93.07036	0.7
94.03703	0.5
94.06569	1.5
94.07360	1.1
95.01344	0.4
95.05015	2.3
95.06088	6.6
95.08594	1.1
96.04485	1.0
96.05656	0.4
96.06897	0.8
96.08131	1.7
96.08909	0.5
96.97257	0.5
97.02910	0.7
97.03997	1.1
97.06519	0.7
97.07657	1.9
98.04800	0.5
98.06051	2.9
98.06868	0.6
98.98485	0.8
99.04460	1.1
99.05569	1.5
107.04904	0.5
107.06096	0.8
108.04507	0.7
108.05601	0.4
108.08094	1.4
108.08929	1.3
108.95845	2.7
109.02915	2.1
109.04026	0.7
109.06493	1.4
109.07632	5.0
109.10163	2.0
109.98957	1.0
110.06059	2.0
110.10496	1.4
111.03185	37.7
111.04353	4.9
111.05598	1.0
111.08047	0.7
111.09186	4.1
112.04006	0.9
112.05025	2.2
112.07588	1.0
112.08759	2.1
113.00002	0.5
113.03500	1.4
113.05983	1.2
113.07111	2.9
113.10735	0.7
113.96400	12.6
115.22457	0.5
116.00282	0.4
118.06572	0.7
119.01830	0.6
121.06511	0.5
124.07595	0.4
124.08714	0.8
125.05973	0.6
125.07174	0.5
126.05511	100.0
126.09144	1.7
127.03915	3.9
127.05010	2.0
127.05895	1.8
127.07577	0.8
127.08669	1.8
127.99980	0.9
129.97975	0.4
130.96315	1.8
130.97760	0.7
131.01900	1.3
131.96388	0.7
131.97429	16.2
131.99695	1.4
136.03946	1.4
136.04985	0.9
136.07568	3.1
136.08687	2.3
136.12025	1.0
137.02330	2.0
137.06038	0.9
137.07109	2.7
137.10703	2.3
137.98378	0.7
138.06627	0.5
139.02634	1.4
140.03441	0.7
142.03468	0.5
148.97359	8.4
148.98483	0.7
149.01228	0.7
149.97197	3.1
149.98367	0.7
150.00761	3.2
154.04984	71.9
154.05963	2.9
154.08594	3.2
154.09753	6.0
154.10953	0.8
154.13356	5.1
154.99052	1.4
155.03418	3.1
155.05516	1.0
155.07016	4.2
155.08156	0.7
155.09265	0.8
166.98386	0.6
167.57014	0.5
168.01814	0.7
171.98959	1.1
172.95232	1.0
173.02553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
54.03459	3.6
55.02976	1.4
55.05512	57.1
56.05036	6.9
57.04545	1.3
57.07084	8.4
58.06584	4.5
59.06126	9.4
59.25057	1.2
59.65439	1.1
65.03943	10.3
67.02963	1.5
67.05495	4.1
68.05033	24.0
69.03390	1.2
69.04559	7.9
69.07069	31.6
69.19083	1.0
70.06596	39.2
70.95856	2.8
71.04981	1.4
71.06116	17.1
71.06909	1.4
71.08616	4.8
71.27628	1.7
71.27975	2.5
72.04520	6.6
72.08160	8.6
79.05476	2.3
80.44551	1.2
81.04523	4.9
81.07046	3.8
82.05316	2.3
82.06579	2.4
83.04986	2.9
83.06110	9.0
83.08141	2.4
83.08617	31.6
84.05644	3.1
84.08154	7.0
85.04019	2.0
85.07672	18.8
88.96869	1.3
91.05491	1.9
93.03411	3.6
93.07038	2.5
94.06574	4.7
95.04951	2.7
95.06094	36.3
95.08579	4.5
96.04497	1.3
96.05620	1.5
96.06882	2.7
96.08132	3.1
97.06455	2.4
97.07648	5.0
97.10172	29.9
98.06013	1.2
98.07180	8.0
102.83492	1.3
102.84212	1.2
107.04877	4.2
107.08589	4.4
108.05576	3.2
109.06513	1.4
109.07657	12.4
109.10151	1.4
110.03641	1.6
110.06034	1.3
110.07174	33.2
110.07910	1.5
111.04435	9.3
111.06693	3.5
111.07999	15.2
111.09200	31.1
111.11681	1.8
112.05095	4.9
112.08736	100.0
113.05873	2.3
113.07114	2.9
113.09572	2.8
119.06041	1.2
122.07144	4.2
124.08711	2.3
125.05984	6.4
125.08199	2.6
126.10284	12.3
135.11670	1.2
136.03896	1.7
136.05042	1.9
136.07787	1.5
136.08704	36.6
137.05846	1.3
137.10738	2.1
153.05424	2.8
153.07732	3.6
153.11346	92.3
154.04990	2.3
154.06192	2.6
154.08617	2.2
154.09750	11.2
154.11705	4.4
154.13390	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00302	2.3
53.03944	4.8
55.01862	2.1
55.05514	16.8
56.13343	1.4
57.03434	5.9
57.07078	2.4
59.04999	8.1
59.25835	1.2
65.03939	8.8
67.05508	14.2
69.07072	19.7
69.49590	12.7
70.94260	3.4
71.01362	3.2
71.04994	47.4
71.94123	1.6
73.06553	21.2
79.05498	34.7
81.03442	1.5
81.07060	100.0
83.04996	10.6
83.08643	4.5
85.06548	2.5
91.05486	13.8
93.03408	2.9
93.07045	81.8
94.07384	2.4
95.04977	8.4
95.06098	2.5
95.08606	25.5
97.06535	19.4
97.07677	1.4
97.10172	1.5
105.07039	3.2
107.04968	4.0
107.08598	83.0
108.08913	2.3
109.06516	4.8
109.10155	36.6
111.04465	14.8
111.08104	7.8
112.08685	1.7
113.05842	2.2
117.07024	2.8
119.06055	1.7
119.08600	3.1
125.05994	7.1
125.09628	2.8
128.68179	1.6
129.97934	2.1
135.08067	3.1
135.11693	56.9
152.17352	1.5
153.05493	5.8
153.09128	5.5
153.11456	2.7
153.12735	40.8
153.13947	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03940	3.4
55.01863	3.1
55.05513	15.5
55.45085	1.2
56.05022	1.4
57.03431	6.0
57.07076	3.9
59.05008	7.7
61.07438	1.5
65.03945	43.8
67.05511	19.6
68.05022	1.6
69.03425	5.5
69.07076	35.9
70.01379	7.5
70.06590	3.4
70.94257	4.2
71.04993	7.6
71.06110	1.6
71.94109	3.7
71.95245	2.2
72.08176	1.7
73.06554	2.2
79.05500	19.6
81.04539	1.6
81.07063	27.7
83.04987	16.0
83.06098	2.9
83.08629	7.3
85.06534	2.4
88.95271	1.7
91.05489	10.4
93.03412	23.6
93.07050	66.0
94.32287	1.4
95.04976	17.7
95.06107	4.3
95.08611	67.4
97.02897	1.7
97.06532	16.1
105.07046	4.4
107.04961	5.5
107.08601	80.5
109.06551	10.2
109.07682	2.0
109.10160	64.4
110.03696	7.8
110.07193	3.5
110.10474	2.7
111.04446	100.0
111.08085	8.4
111.09222	3.0
111.11648	1.6
111.96906	3.7
112.04780	1.6
112.08749	7.7
112.96740	1.7
113.05859	2.2
119.08595	2.1
120.00985	1.2
122.83533	1.4
123.11694	2.0
125.06001	46.8
125.09677	1.9
126.06388	2.1
129.97903	3.1
135.04424	4.9
135.08092	4.4
135.11699	46.2
136.07663	3.0
136.08694	3.0
138.03140	1.9
153.05476	24.6
153.09158	9.3
153.11362	8.9
153.12759	45.5
154.04984	2.8
154.08621	1.8
154.09734	2.4
154.13174	1.6
154.58421	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00301	2.5
53.03955	3.4
55.01865	2.7
55.05511	15.8
56.05038	1.7
57.03455	2.8
57.07072	3.0
59.05005	9.0
65.03948	11.6
67.05504	13.6
68.05025	2.5
69.03431	4.8
69.07069	20.9
70.06586	2.3
70.85121	3.0
70.85500	2.6
70.94265	5.9
70.95871	2.0
71.04997	60.9
71.95282	1.2
72.08160	2.0
73.06559	20.9
78.35056	1.3
79.05496	33.5
79.05951	1.7
81.04546	3.2
81.07061	100.0
82.07408	1.8
83.04981	8.3
83.06107	3.0
83.08619	3.5
85.06522	2.7
91.05490	11.6
93.03413	5.6
93.07049	45.0
94.07314	1.2
95.04988	10.3
95.06095	4.1
95.08621	13.2
97.02892	1.7
97.06535	27.4
97.07642	2.3
99.05565	2.0
100.86220	1.2
105.07033	3.8
107.04967	5.9
107.08601	51.7
108.08979	1.5
109.06533	5.1
109.07691	2.8
109.10158	21.7
110.03694	1.8
110.07161	2.0
111.04445	27.7
111.08082	14.1
111.09222	5.1
111.96886	3.4
112.08705	4.2
113.05878	5.0
119.08640	1.7
123.11702	5.6
125.06001	12.8
125.09634	2.9
126.05568	1.8
129.97948	3.3
130.96393	1.7
135.04425	4.3
135.08078	5.4
135.11697	36.4
136.05119	1.3
136.07597	4.7
136.08678	3.4
136.12047	1.9
148.97351	1.6
153.05479	9.6
153.06516	1.9
153.07858	2.7
153.09117	5.7
153.10219	2.9
153.11389	10.4
153.12758	39.0
154.04973	2.9
154.08620	4.1
154.09789	4.8
154.13271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00296	2.7
53.03944	4.3
55.05517	14.1
57.03431	3.7
57.07072	3.3
59.04993	7.1
65.03940	13.1
67.05513	9.4
68.96331	2.1
69.03419	3.3
69.07073	18.5
70.06584	1.8
70.83236	5.2
70.94258	3.2
71.05000	61.3
73.06558	18.7
79.05495	24.6
81.04567	3.4
81.07063	100.0
83.04971	5.5
83.08614	3.0
85.06522	1.9
85.40152	1.8
91.05478	10.1
93.03407	7.8
93.07057	43.2
95.04967	5.3
95.08614	13.0
97.06542	23.7
105.07049	3.1
107.04987	3.9
107.08601	49.5
109.06503	3.6
109.07672	3.8
109.10150	14.9
111.04450	22.5
111.08083	20.0
113.05868	5.4
119.06084	1.9
123.11712	7.1
125.06013	13.9
125.09643	2.6
126.05608	1.7
129.97896	1.9
135.04434	3.1
135.07996	1.8
135.11717	28.7
153.05450	8.9
153.09120	3.9
153.10242	2.4
153.11469	3.4
153.12727	38.1
154.05009	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
53.03950	1.7
55.01866	1.4
55.05510	10.8
56.96546	2.4
57.03449	5.2
57.07070	2.8
57.76654	0.9
59.04994	4.2
65.03941	12.3
67.05505	27.6
68.04985	1.0
68.05807	1.1
69.03418	3.9
69.07070	42.4
69.61745	6.9
70.94258	2.1
70.95852	2.1
71.04989	9.9
71.94095	4.6
71.95268	10.3
73.06551	3.8
75.59612	0.9
79.05493	28.0
81.03412	1.8
81.07055	47.7
82.07403	1.2
83.04980	9.2
83.08613	5.4
85.06541	2.1
88.95261	1.4
88.96911	1.3
91.05473	8.1
93.03394	4.0
93.07042	52.8
94.07355	2.5
95.04981	6.7
95.08611	24.5
96.08944	1.0
97.02888	1.6
97.05907	1.6
97.06535	28.8
98.00777	1.0
105.07019	2.8
107.04932	4.1
107.08591	61.5
108.04465	1.2
108.08884	1.4
109.06541	1.9
109.10155	41.1
110.03658	2.7
110.10506	1.1
111.04445	30.7
111.08099	8.5
111.11745	1.1
111.96867	1.9
112.04810	1.3
112.96698	1.0
113.79570	0.9
121.02812	1.0
124.43684	0.9
125.06007	13.3
125.09639	1.9
126.05462	1.5
126.06297	2.0
126.09193	1.0
128.52919	0.9
129.97888	1.3
130.97699	1.8
134.05994	2.2
135.04416	3.8
135.08090	4.2
135.11688	97.2
136.03941	3.3
136.07573	1.6
136.12019	2.8
138.03162	1.0
152.99484	0.9
153.01859	4.0
153.05507	12.8
153.06657	0.8
153.07494	6.4
153.09164	6.7
153.12744	100.0
154.04950	6.0
154.08652	2.6
154.13091	3.2
168.91815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
53.03934	2.7
55.01876	14.3
55.05512	29.5
57.03437	13.0
57.07074	4.7
59.04987	2.9
65.03949	21.4
65.05684	0.8
67.05508	33.0
69.03425	5.7
69.07069	100.0
70.07384	1.5
70.94247	3.4
71.04996	14.0
71.61433	1.4
71.94087	2.4
71.95260	1.7
72.04510	2.7
73.06528	1.1
76.11177	0.8
78.20814	0.8
79.05492	24.2
81.07059	34.9
82.07385	0.9
83.04976	13.0
83.06130	0.9
83.08617	20.3
84.04502	9.5
85.06556	1.8
91.05482	6.0
93.03407	8.9
93.07046	47.3
94.07375	1.0
95.04987	4.8
95.06021	1.3
95.08611	38.9
97.02916	1.4
97.06534	36.8
97.10172	0.9
100.11245	6.3
105.07039	1.6
106.31160	1.0
107.04950	3.0
107.08597	51.0
108.08929	1.2
108.84346	1.0
109.06503	2.1
109.10162	34.5
110.03659	3.4
110.07186	1.7
111.04448	47.3
111.08074	12.6
111.11713	3.2
111.96865	2.7
112.04772	1.9
112.08734	3.7
112.96733	1.2
118.15763	0.8
121.06535	0.9
122.45597	0.9
125.05991	21.7
125.09633	1.3
126.05486	1.0
126.06429	1.0
129.97932	3.1
132.02676	0.9
135.04404	2.4
135.08089	2.2
135.11696	74.1
136.03923	1.0
136.07584	1.9
136.12073	2.0
140.81831	0.9
153.01804	1.8
153.05478	11.4
153.09085	5.5
153.12747	70.1
154.05028	2.6
154.08665	1.3
154.12151	1.7
154.13264	1.4
160.82481	0.9
165.25723	1.1
173.39594	1.0
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	(+)-trans-p-Mentha-1(7),8-dien-2-ol
Peak:m/z	Relative Intensity
52.66667	0.7
53.03942	1.3
55.01867	0.8
55.05508	28.9
56.95493	0.7
57.03431	0.9
57.07070	0.9
59.05002	3.2
60.01219	0.7
65.03943	4.1
65.64867	0.6
67.05497	4.4
69.03421	1.2
69.07066	100.0
70.07391	1.2
70.14100	2.7
70.94253	1.4
71.04989	8.2
71.94074	0.9
73.06564	3.6
79.05492	6.8
81.07055	18.3
83.04989	5.5
83.08617	1.3
91.05474	3.6
93.03427	2.3
93.07044	15.5
95.04944	1.3
95.08604	8.3
97.06522	9.8
105.07047	1.0
107.04967	0.8
107.08594	17.7
107.09285	1.0
108.08902	0.9
109.06547	0.7
109.10154	13.4
111.04443	7.5
111.08089	2.7
125.05997	3.6
134.05983	0.6
135.08060	0.9
135.11685	13.7
139.03853	0.9
146.17346	0.6
153.05486	2.5
153.09135	2.5
153.11473	1.5
153.12721	19.5
153.13936	1.0
154.06233	1.4
154.08652	1.1
163.03447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03935	3.4
55.01856	4.1
55.05270	1.4
55.05513	15.9
56.96558	1.7
57.03439	8.5
57.07059	4.6
59.04985	4.9
65.03944	45.5
67.05508	22.0
69.03455	6.3
69.03758	1.5
69.07069	50.3
70.06573	2.9
70.07403	1.9
70.94268	5.7
70.95885	1.2
71.04983	7.4
71.06105	1.3
71.17546	1.1
71.34278	1.8
71.94099	3.5
71.95248	2.6
72.08150	1.6
73.06524	4.1
79.05069	2.2
79.05495	32.7
81.03404	2.4
81.06583	2.5
81.07058	38.9
83.04984	21.6
83.06068	2.0
83.08618	6.9
85.06549	2.1
91.05488	10.9
93.03401	18.6
93.07047	71.3
94.07336	2.0
95.04976	11.0
95.06075	4.3
95.08611	38.2
97.02861	1.5
97.06535	22.5
97.10135	2.2
105.07029	4.7
107.04973	6.0
107.08596	80.6
108.04472	1.5
108.08935	2.1
109.06509	11.5
109.07646	2.0
109.10159	61.1
110.03654	6.9
110.07170	2.9
110.10458	2.3
111.04446	100.0
111.08073	8.5
111.09192	1.9
111.11718	1.9
111.96862	4.0
112.04760	3.2
112.08741	5.7
112.96716	1.3
119.08554	1.5
121.02875	1.7
121.06471	1.4
122.57063	1.2
125.05999	41.0
125.09648	3.0
126.05464	1.9
126.06344	1.8
129.97861	3.5
134.05980	1.7
135.04413	3.3
135.08090	5.7
135.10681	2.8
135.11699	52.8
136.07588	2.7
136.08658	1.6
136.12032	2.1
138.06810	1.3
148.97340	1.7
149.01166	1.3
153.04303	2.6
153.05472	25.7
153.06551	1.6
153.09138	10.0
153.10239	2.3
153.11375	8.0
153.12733	67.9
154.04961	4.2
154.08647	1.7
154.13206	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00309	2.0
53.03959	1.8
55.05305	1.2
55.05517	13.3
57.03428	1.9
57.07076	3.0
59.05006	7.0
63.05084	0.9
65.03945	9.1
67.05507	6.7
69.03434	2.3
69.07067	15.1
69.85837	6.2
70.06554	1.2
70.94262	2.0
71.04996	41.2
71.06103	1.1
71.95256	1.5
72.08134	1.0
73.06168	1.6
73.06558	22.6
77.37276	1.0
78.35005	1.1
79.05499	23.6
79.70303	1.4
81.07060	100.0
82.07378	1.7
83.04971	3.0
83.08622	2.4
85.06544	1.2
91.05482	7.3
93.03392	3.8
93.07047	45.0
94.07367	1.2
95.04974	3.9
95.08613	12.1
97.06522	8.5
98.20784	1.3
105.07009	3.4
107.04943	1.6
107.08598	39.9
109.10173	13.5
110.03661	1.8
110.07188	1.9
111.04449	15.0
111.08102	4.0
111.96869	1.6
124.29231	1.0
125.06005	7.3
135.04439	2.1
135.08072	1.2
135.11697	36.6
135.12720	2.4
135.72221	1.0
136.12062	1.1
153.01852	2.2
153.05476	5.5
153.09140	4.2
153.12741	21.3
155.74609	1.0
158.80225	1.1
172.00797	1.0
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
53.00295	1.6
53.03930	3.7
55.01863	1.7
55.05512	20.5
55.90433	1.3
57.07075	2.3
59.05014	7.8
65.03921	5.9
67.05489	5.5
69.03407	1.9
69.07060	20.9
69.97060	1.4
70.06570	1.6
70.64417	4.4
70.94245	2.8
70.95840	1.4
71.04991	42.9
73.06551	19.2
76.35611	1.4
79.05492	28.3
79.42168	1.5
81.07056	100.0
83.04952	3.9
91.05486	9.2
93.03392	4.6
93.06475	2.5
93.07043	47.1
94.53163	1.5
95.04970	2.7
95.08603	10.7
97.06520	11.2
105.06968	2.4
107.04945	1.9
107.08595	41.9
109.06534	1.6
109.07624	2.6
109.10137	9.0
111.04427	9.0
111.08061	4.6
111.09171	1.8
117.85071	1.7
118.24451	1.4
119.08559	2.4
125.05981	6.4
135.04398	5.8
135.06612	1.5
135.11702	35.3
151.38246	1.4
153.01785	2.1
153.05450	3.9
153.11372	4.4
153.12727	17.9
154.08557	1.7
172.60417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00301	1.9
53.03938	3.5
55.05515	11.5
57.81377	1.4
59.05005	6.8
65.03942	4.2
67.05504	7.5
69.07061	15.0
69.37258	16.1
71.04995	50.1
73.06561	27.0
79.05492	25.7
81.07057	100.0
82.07381	1.5
83.04983	2.5
83.08646	1.8
85.06535	1.9
91.05489	8.2
93.03397	4.3
93.07048	47.3
95.04982	3.0
95.08608	11.8
97.06525	8.5
105.07038	2.6
107.04958	1.9
107.08599	43.9
107.78093	1.8
109.10160	12.3
111.04447	9.7
111.08112	2.3
125.05991	4.5
134.02313	1.5
135.11693	35.3
136.12064	1.6
153.05429	2.4
153.11484	2.4
153.12741	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.43793	1.5
53.00273	2.2
53.03938	2.2
55.05515	12.2
58.01683	1.9
59.04992	7.7
67.05496	4.0
69.07054	6.5
69.12109	1.7
69.16900	1.6
71.04990	45.0
73.06165	2.3
73.06557	25.7
79.05487	20.0
81.07054	100.0
83.08614	1.9
83.43736	1.8
91.05479	4.5
93.07042	39.8
95.04984	2.2
95.08591	7.9
97.06516	4.4
105.06988	2.2
107.08592	33.7
108.08939	2.4
109.10167	6.0
111.08101	3.7
116.47104	1.7
135.11694	33.8
153.12726	16.6
154.46863	2.0
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
53.03942	3.5
55.05510	24.9
57.07063	6.0
59.05004	11.1
63.59745	1.9
65.03940	23.2
67.05502	19.1
69.03407	6.2
69.07074	22.1
69.73878	14.3
71.04994	41.2
71.95277	3.6
73.06556	20.1
79.05486	29.8
81.07059	100.0
83.04991	24.1
83.08598	3.3
91.05479	11.6
93.03419	10.0
93.07045	88.6
94.07314	2.1
95.04980	4.6
95.08606	42.8
97.06541	16.9
105.07065	4.7
107.04948	5.2
107.08595	97.6
109.06526	3.8
109.07595	1.9
109.10159	30.7
110.03648	2.4
111.04443	37.4
111.08065	11.8
111.96886	2.1
112.08755	3.4
125.06004	19.8
125.09620	2.6
126.15267	2.1
131.65422	2.1
135.04416	2.8
135.08049	3.2
135.11693	61.0
153.05449	10.3
153.09145	3.8
153.11343	6.2
153.12726	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.37181	2.6
53.03913	2.6
55.05512	20.6
57.07068	2.3
57.90713	2.4
59.04990	9.0
65.03938	12.4
67.05505	12.6
69.06718	3.2
69.07069	37.4
69.45398	20.4
71.04996	47.2
73.06550	18.5
78.53638	2.1
79.05489	26.9
79.81704	2.2
81.07055	100.0
83.04968	4.8
83.08595	4.2
91.05472	10.3
93.03408	6.3
93.07044	58.3
95.05009	3.2
95.08604	25.5
96.62318	2.2
97.06537	14.8
98.21564	4.9
105.07024	4.2
107.08596	61.6
108.08959	2.5
109.10149	28.4
110.03666	2.5
111.04445	20.2
111.08071	6.7
112.08730	2.9
119.08608	3.5
125.05981	12.3
125.31721	2.1
135.08104	2.3
135.11679	41.9
153.05473	8.4
153.11531	3.4
153.12717	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00291	2.0
53.03941	2.9
53.52516	1.6
55.05517	11.9
57.07071	2.3
58.52676	1.2
59.04998	8.7
59.10609	1.6
65.03918	4.4
67.05505	4.3
69.07051	8.2
70.98198	2.7
70.98554	3.4
71.04994	39.6
73.06171	1.9
73.06554	26.0
73.79353	1.4
75.42709	1.4
79.05501	22.5
81.07059	100.0
82.07384	1.7
85.06567	1.8
91.05471	6.8
91.84465	1.5
93.07047	41.8
95.04964	2.9
95.08611	7.1
97.06533	5.5
104.19896	1.4
105.07058	1.9
107.08596	32.6
109.06499	2.4
109.10196	7.8
111.04434	7.1
111.08073	4.4
115.33738	1.4
125.06001	2.8
135.11694	26.9
153.05495	2.2
153.12759	15.6
171.11949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03935	1.2
55.05512	5.0
57.03431	2.2
57.07053	1.5
59.04988	2.4
65.03923	5.1
67.05497	13.4
69.03416	1.6
69.07068	14.1
69.18369	0.9
69.83673	2.5
69.84089	4.0
70.94248	1.0
71.04976	4.2
73.06544	1.8
79.05489	11.3
81.07054	19.7
83.04972	6.8
83.08601	3.6
85.02782	1.0
88.15069	0.9
91.05475	8.0
93.03400	3.4
93.07040	69.3
94.07375	1.9
95.04943	3.7
95.08601	67.8
96.08928	1.4
97.06522	13.0
105.06351	1.0
105.07035	2.6
107.08591	100.0
108.08910	1.9
109.06502	1.7
109.09462	1.6
109.10162	20.8
111.04415	11.5
111.08060	2.8
121.02882	2.2
125.02248	1.1
125.05981	7.3
130.97781	1.2
135.04375	1.0
135.11685	50.4
136.12015	1.7
136.36368	1.1
151.85789	1.0
153.05444	3.6
153.11504	1.6
153.12735	24.5
157.35957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00301	2.6
53.03939	4.8
55.01874	3.1
55.05513	18.4
57.07074	3.8
59.04996	10.0
65.03944	16.4
67.01878	1.5
67.05503	14.1
68.05020	3.8
69.03417	5.9
69.04576	2.0
69.07076	20.0
70.06586	4.5
70.90423	4.4
70.94256	9.7
70.95841	2.3
71.04999	48.5
71.94097	3.9
73.06563	22.7
79.05492	31.1
80.25089	1.5
81.03406	2.1
81.07061	100.0
82.07406	3.5
83.04974	11.4
83.06065	2.8
83.08633	3.9
85.06553	2.3
85.07640	1.8
91.05492	11.3
93.03402	6.9
93.07047	54.6
94.06565	1.9
95.04979	8.0
95.06079	5.2
95.08624	14.8
95.51416	1.6
97.06519	20.2
100.28376	1.7
105.07018	5.3
107.04967	11.8
107.08598	51.5
109.06506	4.3
109.07653	1.9
109.10169	21.4
110.03643	5.1
111.04451	40.0
111.08086	12.0
111.09179	3.0
111.96871	5.2
111.98456	1.9
112.08750	8.0
112.96700	2.8
113.05882	3.4
115.81681	1.4
119.08576	2.3
123.11670	2.3
125.06009	23.4
125.09617	3.2
126.05476	1.7
126.10271	2.5
129.97919	4.7
135.04398	3.3
135.08073	3.9
135.11707	39.1
136.07593	4.0
136.08681	4.0
137.07126	1.7
148.97345	2.1
153.01859	20.0
153.05501	13.2
153.06583	3.0
153.07787	2.9
153.09097	9.6
153.11365	12.3
153.12746	33.4
154.04974	2.8
154.09763	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00298	2.0
53.03932	4.0
54.03462	1.6
54.12627	1.3
55.01861	4.4
55.05511	22.7
56.02189	1.3
56.05027	3.2
56.96553	3.9
57.03425	4.2
57.07060	2.6
58.06600	1.9
58.89407	1.3
59.05013	7.9
59.06112	1.9
59.37054	1.3
59.48837	1.3
60.04527	1.6
64.34525	1.5
64.88459	1.4
65.03613	1.7
65.03944	22.6
67.02967	2.2
67.05502	19.4
68.05032	7.2
68.96313	1.6
69.03415	6.3
69.04552	2.5
69.06723	2.5
69.07069	31.4
70.06597	10.0
70.94258	11.3
70.95859	4.0
71.04996	39.8
71.06084	2.7
71.11612	1.4
71.43209	1.9
71.43525	1.5
71.94081	4.4
71.95272	1.6
72.04518	1.6
72.08153	4.1
73.06552	20.4
75.79107	1.3
76.88654	1.3
79.05491	42.9
79.59335	1.6
80.05017	2.1
81.03413	2.6
81.04512	4.8
81.07058	100.0
82.06561	3.4
82.07382	2.6
83.04987	14.1
83.06094	5.7
83.08611	5.5
84.08131	4.6
85.06563	2.1
85.07667	3.0
88.95297	2.5
91.05483	14.1
93.02889	1.5
93.03375	8.6
93.07041	71.8
93.07634	3.4
94.06561	3.1
95.04976	17.7
95.06091	11.1
95.08607	24.8
96.04501	1.4
96.05609	2.2
96.08118	2.3
97.02879	2.3
97.05927	1.8
97.06533	27.7
97.07635	5.1
97.10179	1.9
98.06045	2.6
99.04447	1.7
105.04591	1.5
105.05356	1.4
105.07012	4.0
106.36347	1.2
107.04965	11.6
107.06091	1.7
107.08595	76.1
108.04404	2.0
108.05603	4.2
108.08880	1.8
109.06512	8.0
109.07650	10.8
109.10153	34.6
110.03654	6.0
110.07161	6.5
110.07888	2.3
111.04446	59.8
111.05514	3.7
111.08077	12.1
111.09165	7.0
111.96848	7.5
111.98476	2.4
112.08718	11.3
113.05907	9.2
113.07124	3.5
119.06042	1.8
120.34843	1.3
121.06474	1.6
125.05996	27.6
125.09603	4.3
126.05540	3.5
126.06557	3.1
126.10266	3.6
127.08604	1.5
129.97922	7.5
130.96313	2.2
135.04404	5.8
135.05463	1.9
135.08069	9.4
135.11688	39.9
135.13708	1.5
136.03984	3.0
136.07619	3.2
136.08693	6.5
137.07083	3.2
137.10725	2.7
140.37259	1.4
148.97362	3.2
153.05490	17.7
153.06589	3.0
153.07684	3.9
153.09102	8.5
153.10266	1.9
153.11353	30.7
153.12733	43.5
154.04985	5.1
154.06108	3.0
154.08609	3.7
154.09750	8.5
160.09607	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01886	0.9
55.05513	6.2
55.93527	0.8
57.03437	10.7
57.07077	3.1
59.05007	6.2
65.03933	3.3
67.05505	14.8
68.24394	0.5
68.96323	0.5
69.03423	2.7
69.07075	5.0
69.44193	2.9
69.44615	2.6
70.94260	1.5
70.95868	9.3
71.04993	2.0
73.06562	5.7
79.05493	13.9
81.07064	11.2
82.07399	0.8
83.04988	4.8
83.08611	2.3
88.95250	0.6
88.96904	4.6
90.94849	0.6
91.05481	13.4
93.03384	1.1
93.07045	25.0
94.07408	0.7
95.04958	1.5
95.08609	14.3
97.06536	12.7
97.10172	0.8
105.07029	7.5
106.97931	1.2
107.04995	1.3
107.08595	100.0
108.08934	2.6
109.06522	6.7
109.10158	24.2
110.10499	1.1
111.04440	4.7
111.08083	30.5
111.11703	0.6
111.96911	0.7
111.98508	3.2
112.08426	0.8
119.06017	0.8
119.08602	1.4
124.08841	1.5
125.06001	1.7
125.09637	16.9
129.97891	1.0
129.99487	1.9
135.08063	7.4
135.10678	1.2
135.11697	24.2
137.69974	0.6
148.97354	0.9
153.01053	1.3
153.05460	1.8
153.06625	0.9
153.09135	11.2
153.12744	47.7
154.05002	1.5
154.13074	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02354	1.4
52.62949	1.1
53.00308	1.5
53.03948	3.8
55.01888	2.1
55.05515	16.8
56.96555	1.2
57.03436	2.0
57.07071	1.8
59.04999	9.9
65.03939	17.2
65.44512	1.1
67.05498	9.8
69.03425	2.9
69.07078	15.5
70.94247	2.9
71.04999	44.0
71.58769	2.5
71.94106	2.1
71.95264	1.3
73.06556	21.4
73.97805	1.3
76.99157	1.2
79.05060	2.2
79.05496	32.0
81.03410	1.9
81.07061	100.0
82.07392	1.8
83.04986	5.3
83.08636	2.1
84.98482	1.1
85.06561	1.2
91.05489	11.4
93.03426	6.5
93.07050	56.8
94.07378	1.6
95.04964	5.3
95.08611	12.9
97.02858	1.8
97.06535	11.7
105.07030	3.5
107.04972	3.7
107.08595	44.8
109.06528	3.0
109.10173	20.1
110.03661	1.8
110.10453	1.4
111.04447	44.1
111.05222	2.7
111.08097	5.8
111.96918	1.3
112.04804	1.4
112.08750	1.7
117.06909	1.2
125.06009	17.6
125.09623	1.3
129.97975	1.3
135.04427	3.6
135.08046	5.7
135.11693	34.7
136.04984	1.5
136.07564	2.0
153.01820	4.5
153.05493	14.7
153.06590	2.0
153.09129	7.8
153.12737	22.7
154.04941	1.3
154.13078	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03944	2.4
55.01859	3.0
55.05516	20.4
56.96560	1.9
57.03440	9.4
57.07072	2.3
59.05002	4.4
65.03944	16.5
67.05508	19.5
68.05024	2.2
69.03431	4.7
69.04545	1.0
69.07070	17.9
69.72879	1.7
69.73288	4.2
70.06595	2.0
70.94267	7.0
70.95868	2.0
71.04996	9.0
71.94115	7.5
71.95256	1.0
72.08144	2.0
73.06544	1.5
77.29098	0.7
79.05495	26.8
81.03414	1.9
81.04543	0.9
81.07064	32.3
83.04987	39.0
83.06078	1.8
83.08630	5.1
88.95286	2.3
91.05479	12.6
92.05787	0.9
93.03406	6.6
93.07048	75.0
94.07375	1.6
95.04971	15.4
95.06070	3.0
95.08611	37.7
96.08914	2.0
97.02865	1.3
97.06537	13.8
97.07616	1.3
97.10159	2.9
98.07149	0.8
105.04480	1.2
105.07049	5.4
107.04968	6.4
107.08601	100.0
108.04461	1.2
108.08188	1.2
108.08909	3.3
109.06518	7.1
109.07649	2.0
109.10161	57.3
110.03648	2.5
110.07166	1.7
110.10465	1.0
111.04447	30.3
111.08086	6.3
111.09164	1.8
111.96864	3.7
112.08731	4.2
112.96738	2.4
113.05852	1.2
119.08584	1.6
121.02874	84.9
122.03170	3.8
123.11740	1.0
125.05985	12.3
125.09625	2.4
129.97916	3.7
130.97784	2.3
135.04433	3.3
135.05437	0.7
135.08046	3.5
135.11700	55.4
136.07574	2.1
136.08662	1.6
136.12059	2.0
146.01639	0.9
148.97375	1.2
153.05478	15.7
153.06557	0.8
153.07956	1.1
153.09154	5.2
153.10298	1.3
153.11360	6.9
153.12738	35.8
154.04991	3.2
154.08618	2.3
154.09747	1.9
154.13087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01870	1.4
55.05517	3.8
56.05046	0.4
57.03442	1.9
57.07076	0.6
58.06595	0.3
59.05003	0.5
59.06076	0.3
60.01871	0.2
65.03944	6.3
66.04271	0.3
67.02985	0.3
67.05166	0.4
67.05508	5.3
68.05019	0.5
68.05841	0.3
68.96327	0.4
68.99782	0.3
69.03440	2.1
69.04577	0.3
69.07073	3.1
70.06597	0.8
70.46687	0.7
70.94265	3.3
70.95867	1.7
71.01329	0.4
71.04999	1.8
71.06107	0.2
71.94112	1.7
72.08157	0.4
73.06587	0.4
73.70012	0.3
79.05499	9.4
80.05030	0.3
80.05824	0.3
81.03416	0.5
81.04533	0.4
81.07062	10.5
82.06577	0.3
83.04990	6.4
83.06096	0.6
83.08626	0.9
85.02888	0.4
85.07649	0.3
88.95300	1.1
88.96893	0.5
91.05489	4.6
93.03427	1.5
93.07053	9.8
94.04205	0.3
94.07369	0.5
95.04974	100.0
95.08611	2.5
96.05301	2.6
97.02907	0.5
97.04026	0.3
97.06540	3.1
97.07658	0.4
99.04476	0.3
105.07023	1.5
107.04957	2.8
107.08604	15.6
108.08156	0.2
108.08884	0.4
109.06525	37.3
109.07721	1.0
109.10161	3.5
109.98927	0.3
110.03654	0.6
110.06922	1.1
110.10516	0.2
111.04446	11.5
111.05583	0.6
111.07362	0.5
111.08086	8.5
111.09227	0.8
111.96877	1.8
111.98493	0.4
112.04732	0.3
112.08767	1.5
112.96710	0.6
113.05882	0.8
115.05448	0.5
117.07025	0.9
118.06524	0.2
119.06071	0.4
119.46687	0.2
121.02878	5.0
121.06483	0.3
123.08072	0.5
125.06000	5.3
125.09615	3.2
126.05493	0.4
126.10273	0.3
129.97920	2.2
130.96297	0.6
130.97760	0.6
135.04420	0.8
135.08063	7.0
135.11711	2.3
136.03923	0.4
136.07573	0.8
136.08653	1.0
137.07109	0.5
148.97377	1.5
152.99570	0.3
153.01984	0.3
153.05470	3.5
153.06621	0.5
153.07750	0.6
153.09126	7.2
153.10208	0.6
153.11363	3.1
153.12747	4.7
153.13971	0.5
154.02586	0.3
154.04987	1.1
154.06129	0.4
154.08614	0.9
154.09732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01870	1.4
55.05517	3.8
56.05046	0.4
57.03442	1.9
57.07076	0.6
58.06595	0.3
59.05003	0.5
59.06076	0.3
60.01871	0.2
65.03944	6.3
66.04271	0.3
67.02985	0.3
67.05166	0.4
67.05508	5.3
68.05019	0.5
68.05841	0.3
68.96327	0.4
68.99782	0.3
69.03440	2.1
69.04577	0.3
69.07073	3.1
70.06597	0.8
70.46687	0.7
70.94265	3.3
70.95867	1.7
71.01329	0.4
71.04999	1.8
71.06107	0.2
71.94112	1.7
72.08157	0.4
73.06587	0.4
73.70012	0.3
79.05499	9.4
80.05030	0.3
80.05824	0.3
81.03416	0.5
81.04533	0.4
81.07062	10.5
82.06577	0.3
83.04990	6.4
83.06096	0.6
83.08626	0.9
85.02888	0.4
85.07649	0.3
88.95300	1.1
88.96893	0.5
91.05489	4.6
93.03427	1.5
93.07053	9.8
94.04205	0.3
94.07369	0.5
95.04974	100.0
95.08611	2.5
96.05301	2.6
97.02907	0.5
97.04026	0.3
97.06540	3.1
97.07658	0.4
99.04476	0.3
105.07023	1.5
107.04957	2.8
107.08604	15.6
108.08156	0.2
108.08884	0.4
109.06525	37.3
109.07721	1.0
109.10161	3.5
109.98927	0.3
110.03654	0.6
110.06922	1.1
110.10516	0.2
111.04446	11.5
111.05583	0.6
111.07362	0.5
111.08086	8.5
111.09227	0.8
111.96877	1.8
111.98493	0.4
112.04732	0.3
112.08767	1.5
112.96710	0.6
113.05882	0.8
115.05448	0.5
117.07025	0.9
118.06524	0.2
119.06071	0.4
119.46687	0.2
121.02878	5.0
121.06483	0.3
123.08072	0.5
125.06000	5.3
125.09615	3.2
126.05493	0.4
126.10273	0.3
129.97920	2.2
130.96297	0.6
130.97760	0.6
135.04420	0.8
135.08063	7.0
135.11711	2.3
136.03923	0.4
136.07573	0.8
136.08653	1.0
137.07109	0.5
148.97377	1.5
152.99570	0.3
153.01984	0.3
153.05470	3.5
153.06621	0.5
153.07750	0.6
153.09126	7.2
153.10208	0.6
153.11363	3.1
153.12747	4.7
153.13971	0.5
154.02586	0.3
154.04987	1.1
154.06129	0.4
154.08614	0.9
154.09732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Guanine
Peak:m/z	Relative Intensity
52.43586	0.3
56.96557	0.4
69.47157	0.3
70.29344	1.4
82.04041	0.4
109.05101	1.5
110.02766	0.5
110.03527	9.7
111.59792	0.3
128.04570	5.0
134.04614	1.3
135.03027	14.1
136.01407	0.4
146.99612	0.3
152.05678	100.0
153.04076	29.2
153.06062	1.4
154.02475	0.8
154.04532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
54.08105	0.4
55.05495	0.7
65.03942	49.1
66.04262	1.1
69.07060	0.6
70.66563	1.3
70.94250	0.4
71.94104	0.5
79.05487	0.7
79.15115	0.4
79.55353	0.4
81.07045	0.8
83.04984	1.3
93.03408	30.5
93.07049	1.9
94.03699	0.6
95.04965	0.9
95.08617	0.6
97.06506	0.9
104.68166	0.4
107.04957	1.5
107.07310	0.4
107.08614	1.8
109.10207	0.8
110.03669	7.7
111.04444	100.0
111.96883	0.5
112.04780	1.6
125.05996	52.1
126.06390	0.9
126.39742	0.4
134.06007	1.7
135.11685	1.0
151.07568	0.4
153.01877	0.7
153.05473	20.7
153.09079	0.6
153.11436	0.8
153.12740	1.1
154.05914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
54.03468	2.6
55.01874	2.9
55.05504	7.1
56.05032	4.3
56.34911	1.3
56.96564	54.4
57.02884	1.2
57.03431	4.8
57.07076	2.8
58.06598	2.3
58.99866	3.2
60.04522	2.5
61.02916	2.3
65.03949	6.6
67.02979	1.2
67.05495	5.8
68.05028	6.7
69.03428	6.4
69.04556	1.9
69.07060	3.3
70.06587	11.1
70.94256	3.0
70.95865	1.6
71.02973	1.9
71.04968	1.4
71.57292	1.0
71.57700	2.4
71.95265	4.2
73.02922	4.7
73.93204	1.0
74.40644	1.2
74.97621	1.1
77.00898	2.8
78.52969	1.5
79.00673	1.4
79.05476	7.4
80.03481	1.2
80.05025	2.5
81.03423	4.7
81.04534	3.3
81.07056	4.2
82.01456	3.0
82.06587	4.6
82.07380	1.6
83.04979	4.5
83.06107	6.4
84.08147	1.4
84.96043	1.3
85.02908	4.3
87.53498	1.7
88.51694	2.6
88.52475	1.2
88.95290	1.3
90.01579	4.9
91.05471	3.3
93.03423	2.0
93.04533	2.4
93.07051	4.8
93.53486	2.1
94.06569	5.5
95.04975	4.7
95.06091	5.2
95.07353	2.6
95.08614	2.7
95.88028	1.2
96.01534	1.7
96.04481	1.3
96.08128	6.9
97.02894	5.3
97.06548	3.3
97.07653	10.2
97.99156	1.5
98.01279	1.1
98.06045	1.5
98.97583	48.5
100.02470	24.5
101.00871	8.3
101.01463	1.3
101.02540	7.1
101.52403	2.4
102.02239	6.3
103.02447	3.0
104.01953	2.4
105.00378	1.9
105.02111	1.8
105.53446	1.8
106.00467	4.2
106.01704	2.8
106.06588	2.7
106.54265	2.6
107.00138	2.3
107.05014	3.0
107.06082	4.2
107.08609	4.5
108.04492	2.8
108.08127	2.1
108.08965	1.3
109.00495	2.3
109.02833	1.7
109.06536	2.9
109.06918	1.6
109.07639	18.6
109.10149	3.4
109.52191	8.2
110.01257	2.7
110.06036	1.5
110.07155	3.1
110.97570	4.2
111.04444	18.5
111.05607	3.4
111.09190	7.9
111.96905	1.7
112.06336	1.3
112.09988	5.3
113.05858	6.5
113.53207	1.6
116.98614	74.5
117.03962	2.7
117.51079	2.3
117.51892	2.6
118.01055	6.0
118.03518	20.5
118.04309	1.6
119.01920	73.1
119.03594	7.0
119.51991	4.4
119.53197	2.0
119.55022	2.1
120.02058	4.0
120.03304	4.2
120.06885	1.5
121.03535	2.8
121.05021	1.2
121.52090	1.5
122.07180	1.5
122.53716	2.5
123.04013	1.7
124.02547	5.3
124.07661	2.4
124.08726	1.9
125.06004	9.4
125.07101	2.9
125.10772	1.5
126.02489	1.8
126.52432	3.4
127.00771	1.8
127.01588	4.1
128.02342	2.0
128.52455	3.5
128.97807	1.4
128.98633	10.8
129.01994	5.7
129.03987	18.6
129.51871	2.4
129.97903	3.2
130.01700	4.7
131.01930	1.5
132.05046	1.5
133.03464	2.9
134.03020	3.0
134.04778	1.7
134.06001	3.2
134.07138	3.9
134.99660	100.0
135.03281	2.1
135.05467	1.5
135.08226	1.9
135.09192	6.3
135.11674	2.0
136.04518	3.0
136.08719	1.7
137.02956	39.8
137.04585	1.6
137.50031	3.7
137.98366	2.6
138.03133	4.6
138.06316	1.4
138.51537	1.9
138.52420	9.5
139.02586	2.5
140.00253	4.6
141.05077	2.4
142.03499	81.5
143.01875	2.2
143.03633	5.3
145.03485	2.3
145.04573	1.4
146.99641	23.2
147.01428	6.5
147.03152	5.9
147.05060	30.3
147.52980	3.8
148.02853	2.2
149.00777	1.4
149.49155	1.3
149.50888	1.2
150.00706	2.7
150.03334	1.4
150.06133	1.4
152.01657	2.7
152.03380	2.1
152.05786	2.4
152.07069	7.8
152.08122	8.3
152.11836	17.0
153.00713	27.6
153.01881	2.6
153.05461	3.0
153.06609	1.6
153.07755	2.5
153.09094	2.8
153.11342	2.5
153.12753	1.5
158.01224	8.1
160.04562	42.9
161.02989	3.0
161.04781	3.1
163.02818	1.4
163.04306	1.3
165.00754	3.4
165.02505	2.2
165.05046	6.3
170.03012	3.6
170.06683	3.0
173.01288	1.4
173.02934	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
52.54308	0.3
53.03955	0.5
55.05526	1.6
56.96564	0.4
57.07077	3.6
62.52206	0.3
65.03938	0.7
67.05505	9.5
68.05843	0.3
68.95286	0.7
69.03440	0.6
69.07070	8.9
70.07381	0.3
70.47330	0.6
71.08622	1.4
75.79424	0.3
79.05489	7.2
80.67715	0.3
81.03423	0.6
81.07059	100.0
82.07394	3.2
83.08614	0.9
91.05488	2.3
91.67455	0.3
93.07052	4.2
95.04962	1.5
95.08607	44.7
96.08937	1.5
98.97576	0.4
100.28436	0.3
105.07024	2.8
107.08582	2.5
109.06543	3.1
109.10160	13.2
110.06080	0.4
110.10484	0.7
110.74795	0.3
116.48140	0.3
119.01773	0.6
123.04458	0.8
123.08058	2.8
123.11717	1.7
124.07578	0.3
128.02287	0.5
133.06506	0.7
133.10138	1.0
134.06009	0.5
134.99690	0.3
151.02843	0.4
151.03896	1.8
151.04918	0.4
151.07539	2.6
151.08627	0.5
151.11166	3.3
151.14824	5.3
152.01637	1.0
152.03465	0.5
152.07104	1.6
152.10646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01875	1.0
55.05514	2.6
56.75504	0.3
56.96566	2.9
57.03432	1.4
57.07071	4.5
59.05002	0.5
59.66217	0.3
61.02917	0.6
65.03931	1.0
67.05506	12.7
68.05025	0.5
68.71471	0.3
68.95282	1.5
69.03425	1.8
69.07067	9.9
71.04973	0.4
71.08624	1.3
71.20999	0.7
73.02908	1.2
74.50752	0.3
74.67340	0.3
79.05493	7.4
81.03407	2.7
81.07054	100.0
82.07376	2.5
83.00813	0.3
83.05004	0.6
83.08624	0.6
84.29750	0.4
85.02917	0.6
86.51873	0.4
89.06032	0.7
90.01547	0.5
91.05477	5.0
92.98643	0.3
93.07039	6.9
95.04967	5.0
95.08604	48.2
96.01546	0.6
96.08066	0.5
96.08926	1.1
98.01286	1.1
98.97571	1.7
101.00719	0.4
103.05450	0.3
104.01312	0.5
105.02083	0.6
105.04494	0.4
105.06384	0.5
105.07029	6.6
106.06548	0.5
107.01794	1.0
107.04962	0.5
107.08599	6.2
107.47636	0.5
108.04478	0.5
109.05779	0.7
109.06513	7.5
109.10152	14.8
110.01276	1.8
110.06042	0.6
110.07106	1.0
110.10541	0.4
111.04415	0.5
111.07942	1.5
112.89750	0.4
116.48132	1.3
116.98605	1.5
117.82584	0.3
118.52586	0.4
119.01806	3.5
119.04963	0.4
121.10114	0.4
121.52100	0.4
123.04417	3.4
123.08071	4.2
123.11688	4.4
124.07596	0.8
125.48643	0.4
125.96895	0.3
128.02316	2.4
128.98582	0.4
130.52573	1.3
133.06451	0.8
133.10124	4.0
134.05934	0.5
134.99646	1.2
137.02831	1.2
139.53070	0.5
146.54781	0.3
146.99609	1.0
147.80893	0.3
151.02820	1.1
151.03879	3.8
151.05034	0.4
151.07506	4.9
151.08617	0.7
151.09758	1.0
151.11162	10.4
151.13832	0.4
151.14827	5.1
152.01625	1.3
152.04399	0.4
152.07042	2.7
152.08044	0.4
158.01141	0.5
165.00699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.29472	1.6
53.03935	4.2
55.01875	9.2
55.05513	21.6
56.96578	10.2
57.03427	6.3
57.07052	6.3
57.24134	1.7
57.95660	1.7
59.05006	20.7
61.02921	3.5
65.03938	4.9
67.05503	42.5
67.45091	1.9
68.05016	7.4
68.95277	2.7
69.03428	23.3
69.04551	2.6
69.07074	13.2
70.06583	4.7
70.11494	6.5
70.58268	1.8
71.04977	5.0
73.02897	2.7
79.05497	26.8
81.03397	5.6
81.07058	100.0
82.06585	1.8
82.07356	4.4
83.00768	2.4
83.04988	3.3
83.06093	6.4
84.05630	1.7
85.02934	2.2
89.06002	2.5
90.01565	1.7
91.04982	2.0
91.05488	34.1
93.02077	1.8
93.04546	2.0
93.06473	3.7
93.07046	66.1
94.07356	3.1
95.00731	1.8
95.04971	40.4
95.05997	3.7
95.08062	2.1
95.08612	26.1
96.01533	3.4
96.05720	3.5
96.08147	3.6
97.06525	3.3
97.07651	3.9
98.01295	3.8
98.97566	7.3
105.03415	2.8
105.07028	49.7
106.06551	2.1
106.07395	1.7
107.08598	68.7
108.08941	2.0
109.05784	3.4
109.06515	55.5
109.07639	8.9
109.10160	62.7
110.01284	5.2
110.06054	3.0
110.07201	13.0
110.51466	2.0
111.05608	2.4
111.07963	22.0
116.48175	2.6
116.98608	3.2
119.01835	7.9
119.04936	3.4
119.06040	2.4
121.10136	5.7
123.04432	4.8
123.08067	24.9
123.10811	2.4
123.11705	37.5
124.07551	4.7
124.08688	6.4
125.48680	2.3
128.02347	9.3
131.08536	2.7
133.06483	2.5
133.10135	47.4
134.06023	2.7
134.07043	3.4
134.10437	2.5
135.09140	3.1
136.08861	1.8
137.02829	4.3
139.53085	2.1
146.99654	3.3
151.02879	3.0
151.03981	13.8
151.07594	12.4
151.08633	3.7
151.09795	16.1
151.11169	83.7
152.01656	3.4
152.03418	2.7
152.05870	3.2
152.07047	10.3
152.08203	5.7
152.11630	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03941	2.9
55.01893	1.4
55.05510	4.4
56.96553	4.8
57.03435	2.4
57.07069	2.9
60.24865	1.1
65.03934	2.2
67.05508	16.0
68.95272	3.1
69.03418	3.9
69.07069	2.4
69.97857	6.3
71.04987	2.9
74.05453	1.1
77.36773	1.4
79.05499	16.4
81.03400	3.0
81.07058	24.9
85.02901	1.9
89.06029	2.5
90.01556	1.9
91.05482	100.0
92.05817	2.9
93.07044	30.6
94.04156	1.4
95.04977	14.5
95.08613	20.0
96.08170	1.5
98.01260	2.4
98.97575	1.9
103.05463	4.3
104.06223	3.3
105.07039	27.0
106.06575	1.5
106.07274	1.3
107.04961	2.8
107.08603	13.3
108.05730	2.7
109.05364	1.4
109.06529	20.7
109.10162	15.0
109.52145	1.1
110.01292	3.5
115.05459	1.6
116.48158	3.8
116.98679	2.0
117.07031	16.1
119.01806	3.9
119.08583	53.3
120.08969	2.2
121.06563	1.8
121.52068	1.8
123.04427	4.0
123.08081	28.2
123.11696	9.9
124.07584	1.8
128.02330	3.2
133.06497	5.1
133.10115	11.0
134.06027	2.9
136.08832	1.5
139.53122	1.9
146.99672	1.7
151.02841	4.1
151.03911	8.5
151.05002	2.3
151.07556	14.4
151.08653	2.0
151.11185	36.6
152.01648	4.5
152.07059	9.0
152.10669	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	CARVONE
Peak:m/z	Relative Intensity
51.02380	1.2
53.03949	43.0
53.98335	0.6
54.04281	1.3
55.01875	5.9
55.05512	4.8
56.96563	2.4
57.03434	2.7
57.07077	1.8
59.04999	0.9
59.07614	0.6
63.46745	0.6
65.03945	2.4
67.05507	28.7
68.95288	1.9
68.99810	0.6
69.03432	5.7
69.07070	23.8
70.46548	1.9
71.04990	1.4
79.05502	12.1
81.03420	100.0
81.07056	29.7
82.03757	1.8
82.07381	1.0
83.04984	7.2
83.08617	0.7
91.05487	10.8
93.07048	14.1
94.07382	0.7
95.04974	23.6
95.08606	11.5
95.79401	0.7
96.01566	0.6
96.04526	0.7
96.08138	1.4
103.05476	0.8
105.03408	0.6
105.06387	1.1
105.07043	14.3
106.06583	0.7
106.07338	0.9
107.01861	0.8
107.04980	1.5
107.08587	9.6
108.05725	0.7
109.02916	0.9
109.06519	13.6
109.10164	10.0
110.01294	1.4
110.06070	0.8
110.07166	1.1
111.04426	1.4
111.07948	1.6
116.48151	1.5
116.98606	1.3
119.01806	2.0
121.52065	1.0
123.04457	4.5
123.08074	8.8
123.11720	6.2
124.07613	0.7
124.08454	0.7
128.02301	2.0
133.02844	0.7
133.06482	1.7
133.10132	7.4
134.05998	0.7
134.99754	0.7
146.98376	0.7
146.99606	0.7
151.02853	1.2
151.03903	5.8
151.04987	1.4
151.07550	15.5
151.08487	0.6
151.09999	0.9
151.11183	20.6
152.01630	1.8
152.03419	1.3
152.07005	3.6
165.21628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.02369	1.5
53.03939	5.0
55.01868	5.4
55.05513	63.2
56.05030	1.7
56.96561	8.0
57.03418	3.6
57.07075	7.0
58.06603	2.2
59.04992	6.0
59.06123	1.4
59.61190	1.3
61.02927	2.5
65.03942	4.6
67.05506	48.4
68.05029	10.4
68.95295	1.7
69.03437	10.9
69.04548	2.1
69.07057	13.5
70.06597	2.6
71.05000	2.6
71.11207	4.2
73.02925	1.9
79.05496	27.3
80.05031	2.1
81.03410	4.3
81.04552	1.8
81.07057	100.0
82.06577	2.9
82.07380	2.7
83.04977	3.8
83.06104	8.5
84.05641	1.3
85.02911	1.9
85.06535	1.4
87.52135	1.4
91.05492	41.2
92.05816	3.0
93.04535	2.6
93.07047	49.4
93.57153	1.2
94.06565	2.4
94.07374	1.9
95.01359	1.3
95.04975	31.2
95.06071	3.6
95.08609	31.5
96.04498	1.6
96.05700	1.5
96.08131	3.7
96.08971	1.3
97.02894	1.7
97.06547	13.6
97.07659	6.0
98.01276	1.9
98.97630	1.3
103.05384	1.3
105.07034	52.0
106.06560	2.7
106.07365	2.7
107.04960	2.7
107.06096	2.8
107.08592	50.7
108.04473	1.9
108.05696	3.0
108.08881	1.6
109.02859	2.9
109.06518	48.7
109.07603	9.0
109.10153	92.2
110.01297	3.7
110.06060	2.8
110.07189	18.4
110.10493	2.7
111.04385	1.7
111.05544	3.2
111.07955	36.5
111.09202	2.6
116.48167	2.0
116.98638	2.5
118.07767	1.6
119.01771	2.8
119.04974	7.5
119.05784	1.4
121.10142	5.7
122.07215	3.8
123.04437	5.6
123.08072	26.4
123.10820	2.5
123.11707	40.1
124.03954	1.6
124.07654	3.4
124.08675	6.4
124.12000	1.6
125.07146	1.8
127.07607	6.8
128.02324	4.1
131.08572	2.7
133.02863	1.9
133.06538	6.8
133.10118	30.1
134.06123	2.3
134.07135	6.1
151.02821	5.1
151.03909	20.7
151.05037	3.6
151.07584	27.2
151.09811	25.4
151.11185	86.7
151.14813	2.7
152.01677	7.0
152.03268	1.5
152.07045	9.7
152.08195	6.7
152.11667	6.1
156.64038	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	Carvone
Peak:m/z	Relative Intensity
53.03936	0.6
55.01870	2.1
55.05513	2.3
56.02185	0.6
56.96570	1.3
57.03442	1.0
57.07076	1.7
59.04995	3.7
65.03920	2.5
67.05501	10.8
67.05831	1.0
68.95287	0.7
69.03424	2.4
69.07065	9.0
69.35354	5.2
71.05002	0.6
79.05492	7.2
81.03423	2.1
81.07052	22.9
82.07366	0.7
83.04996	0.7
83.06066	0.7
89.06045	0.9
89.27020	0.5
91.05476	10.1
93.07041	9.8
94.04179	2.4
95.01354	0.6
95.04972	8.1
95.08601	12.4
96.08166	0.8
98.01320	0.6
98.97566	0.7
105.03397	1.0
105.07024	11.1
106.06609	0.7
107.04941	2.9
107.08591	10.8
108.05727	0.6
109.06510	100.0
109.10148	11.9
110.06139	0.6
110.06896	1.8
111.04465	0.8
111.07935	1.8
119.01799	2.1
119.06048	1.9
120.04476	0.6
121.10130	1.0
123.04445	2.3
123.08063	29.6
123.11701	10.6
124.07587	0.7
124.08444	1.3
128.02234	1.2
133.02815	0.8
133.06471	1.7
133.10132	7.3
151.02879	0.9
151.03944	7.1
151.05019	0.8
151.07538	6.5
151.09805	1.4
151.11166	19.7
152.01666	0.7
152.07063	2.4
152.11588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03928	4.4
54.54073	1.4
54.54355	1.4
55.01871	12.5
55.05263	2.1
55.05512	28.7
56.05815	1.4
56.96554	4.4
57.03434	4.1
57.07066	5.1
59.04987	4.3
65.03893	1.7
67.05174	2.4
67.05505	35.7
68.05012	2.9
69.03430	26.3
69.07068	12.8
69.50871	5.0
69.51295	8.6
71.04990	11.5
73.02916	1.8
79.05493	22.0
81.03426	2.0
81.07056	90.8
82.07404	1.6
83.04964	3.2
91.05488	28.6
93.07044	76.3
95.04967	46.8
95.08601	21.1
96.05782	9.6
96.08132	1.8
97.06524	5.9
98.97571	3.4
105.07030	43.7
106.07330	2.2
107.04958	2.0
107.08592	58.9
108.08914	2.7
109.06515	64.4
109.07633	2.5
109.10153	47.5
110.01252	2.0
110.07153	5.6
111.05534	2.1
111.07947	5.5
119.01804	2.9
121.10129	6.2
122.07257	2.1
123.04402	1.9
123.08064	31.3
123.11706	45.7
128.02304	3.1
131.08586	2.8
133.10129	33.3
134.07074	2.2
134.10481	2.0
151.03989	7.9
151.07529	6.2
151.09862	5.8
151.11179	100.0
152.05789	1.5
152.07028	2.0
152.11566	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	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
52.92253	1.9
53.03934	5.7
53.80104	1.3
55.01879	8.9
55.05516	15.2
56.05018	1.5
56.96560	7.0
57.03426	5.8
57.07076	4.5
57.78242	1.4
59.05004	31.7
65.03928	4.0
67.05170	2.8
67.05505	44.9
68.05027	6.1
69.03078	2.8
69.03434	43.1
69.04538	1.7
69.07063	9.4
71.04995	7.9
71.24348	2.1
71.24685	2.4
73.02915	1.8
79.05498	29.4
80.05016	1.9
81.03398	3.7
81.07060	100.0
82.06591	2.1
82.07380	3.0
83.04995	4.4
83.06104	3.4
85.02914	1.8
85.06532	2.2
89.06025	2.0
90.41643	1.8
91.05484	34.8
91.44390	1.7
92.05781	1.8
93.07051	59.7
94.06644	1.5
95.04373	2.3
95.04971	34.9
95.06107	2.0
95.08610	23.6
96.08118	2.5
97.06532	3.1
97.07648	1.8
98.01296	2.1
98.97571	2.1
103.05548	1.8
105.03418	1.6
105.07034	54.2
106.07330	2.4
107.04947	2.6
107.07866	3.5
107.08599	68.0
108.05711	2.3
108.08941	2.1
109.06525	54.9
109.07632	3.2
109.10158	75.0
110.01279	1.8
110.07209	10.8
110.10498	1.6
110.66073	1.5
111.07959	22.0
119.01804	4.8
119.04959	2.1
119.06146	1.7
120.04497	1.7
121.06454	2.1
121.10126	3.8
123.04411	3.7
123.08073	23.8
123.11708	37.5
124.08686	4.4
124.12089	1.8
125.48652	2.0
128.02325	6.4
131.08588	4.8
133.02818	1.8
133.06534	2.4
133.10136	53.0
134.10452	2.2
136.08841	3.1
137.02824	1.8
151.03960	15.7
151.04980	3.2
151.06023	1.9
151.06305	2.1
151.07567	15.1
151.08652	2.9
151.09821	12.4
151.11183	89.3
152.01630	4.1
152.05818	1.5
152.07063	6.4
152.08182	3.4
152.11581	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	151.0753
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03936	0.8
55.01867	0.4
55.05499	0.9
55.72610	0.3
56.96563	1.2
57.03427	0.5
57.07063	0.4
65.03934	1.5
66.04704	0.8
67.05505	3.8
68.05028	0.5
68.95289	1.3
69.03424	0.5
69.07056	0.9
71.04941	0.4
71.33319	0.5
73.02921	0.4
77.03903	0.3
78.04700	1.2
79.05498	3.3
80.06284	2.5
81.03442	0.7
81.07058	6.0
83.06114	0.3
85.02895	0.3
86.99204	0.2
89.03929	0.4
89.06018	0.7
90.04690	1.3
91.05480	8.5
93.03407	0.9
93.07040	3.9
94.04205	0.4
95.01325	0.3
95.04984	3.0
95.08611	4.1
96.04471	0.4
96.08141	0.3
96.93116	0.3
98.97576	0.4
105.03397	1.8
105.07025	3.5
106.04173	1.3
107.04957	21.9
107.08578	2.5
107.47637	0.6
108.05095	0.5
108.05756	8.6
109.02963	0.3
109.06528	4.0
109.10162	2.6
110.01258	0.7
110.05995	0.4
110.07162	1.1
111.07949	0.9
115.98199	0.3
116.48154	1.0
116.98647	0.7
118.04147	1.0
119.01806	1.4
119.04964	0.5
119.06068	0.3
121.06503	0.4
123.04442	1.3
123.08088	3.2
123.11681	1.6
124.07574	0.5
128.02324	1.0
133.06467	0.5
133.10153	1.8
134.06032	0.3
135.04410	5.9
136.05208	7.1
139.53058	0.4
146.99677	0.3
151.03920	2.4
151.07544	100.0
151.11087	5.3
152.01630	0.8
152.06902	0.6
152.08018	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75354	1.2
53.03941	1.4
54.03466	1.2
55.01877	7.4
55.03001	1.6
55.05507	5.4
56.05028	3.7
56.96569	91.8
57.03440	24.8
57.07070	3.4
58.99860	2.7
59.05006	2.1
59.06125	2.1
60.01412	1.2
60.04527	5.1
60.95850	2.4
61.01152	2.4
61.02925	13.7
65.03943	4.7
67.02185	1.2
67.05506	19.3
68.02652	2.6
68.05035	7.9
68.05835	1.7
68.52705	1.2
68.95285	4.1
68.99784	6.5
69.01919	5.1
69.03432	10.6
69.04551	2.2
69.07072	2.5
69.86081	7.7
70.03739	1.2
70.06587	6.5
71.01364	2.4
71.04989	3.0
71.06142	1.7
71.95251	2.0
72.93790	1.1
73.02927	23.0
73.04044	2.7
73.78468	1.3
74.04822	2.0
74.06084	3.2
74.97601	7.3
75.01058	1.4
75.01911	5.9
75.04481	5.4
75.05612	5.8
76.00013	1.4
76.02699	5.0
77.00866	3.6
78.52962	1.9
79.05499	12.4
80.05021	3.4
81.01038	3.5
81.03006	1.9
81.03418	10.4
81.04552	3.1
81.07061	18.9
82.02628	1.3
82.06587	4.2
82.07370	1.2
83.00808	5.8
83.01251	1.4
83.04981	2.9
83.06114	6.2
83.72915	1.1
84.01594	2.6
84.02434	11.2
84.08150	5.8
84.96037	3.2
84.99267	3.8
85.02897	16.8
85.06580	1.7
86.01325	1.4
86.03693	4.7
86.06068	1.3
86.51818	1.5
86.52703	2.0
87.01040	2.1
87.04488	1.4
87.05571	8.7
87.50780	1.9
87.53478	1.7
88.06351	1.2
89.00784	5.7
89.02379	1.7
89.06035	5.4
90.01563	11.1
90.02433	2.4
91.00559	1.6
91.02416	2.7
91.03960	1.6
91.05057	3.2
91.05532	11.7
92.01308	5.0
92.03517	1.3
92.05027	1.7
92.51798	1.2
92.52676	1.6
92.98634	1.6
93.02975	1.8
93.07039	16.0
93.53516	2.7
94.06577	4.1
95.00774	3.4
95.01300	1.9
95.01939	1.2
95.04977	15.6
95.06104	2.8
95.06915	2.0
95.08606	15.9
95.53250	1.5
96.01542	8.6
96.04514	2.9
96.08138	4.0
97.00524	3.0
97.02898	10.6
97.06486	1.3
97.07655	4.6
97.96809	3.0
97.99192	4.5
98.01306	11.9
98.20782	1.3
98.97588	32.5
99.02071	3.3
99.04423	2.0
100.00932	1.7
100.02473	9.5
100.11286	2.5
100.51582	1.7
101.00828	10.9
101.01625	2.2
101.02520	2.8
101.52345	4.6
101.53224	1.3
102.02237	1.7
102.96854	1.2
103.01416	3.5
103.02210	2.7
103.05069	5.0
103.52087	1.9
104.01299	11.0
104.02155	4.0
105.02089	6.7
105.02687	1.1
105.03454	2.1
105.07021	17.6
105.51611	2.7
106.01022	3.1
106.06587	2.5
107.01829	7.2
107.02489	1.8
107.04971	4.1
107.06100	3.7
107.06898	1.6
107.08595	14.5
107.47578	1.2
107.52354	2.6
107.53028	1.3
108.04468	2.3
108.05669	1.4
108.08111	3.2
109.01366	9.8
109.02145	1.9
109.02879	6.1
109.03550	1.5
109.05191	2.0
109.06538	13.2
109.07645	8.7
109.10164	10.9
109.52103	3.4
109.52975	5.3
110.01292	37.7
110.02137	4.3
110.03536	7.3
110.06038	5.1
110.07224	6.0
110.07928	2.4
110.51487	2.8
110.52879	2.5
110.53745	1.4
110.97591	3.9
111.04433	2.0
111.05580	2.6
111.07989	7.9
111.09260	2.6
112.06337	1.2
112.10011	2.2
113.00970	1.5
113.01799	4.0
114.02557	1.3
114.04049	2.7
114.52216	5.6
115.01388	7.4
115.02309	3.1
115.52109	3.4
115.97881	3.7
116.00211	5.8
116.48154	4.6
116.53484	1.7
116.98628	33.9
117.01936	3.8
117.03822	1.3
118.01884	16.8
118.03502	10.5
118.52011	2.5
119.01849	84.0
119.03574	3.0
119.05004	1.5
119.51962	1.5
120.02024	2.5
120.52200	2.1
120.97974	1.4
121.01659	3.8
121.03566	1.7
121.52082	6.9
121.52966	5.9
122.07188	2.2
123.04430	8.4
123.05577	1.5
123.06392	2.1
123.08069	15.9
123.11718	7.5
124.01883	18.1
124.02721	1.7
124.03983	2.2
124.05033	2.1
124.07600	6.6
124.08698	4.2
125.01849	1.3
125.02701	6.2
125.10740	1.4
126.02721	1.3
126.04411	1.4
126.52209	2.2
127.01546	2.1
127.02388	1.9
127.03912	3.8
127.06190	2.3
128.02328	59.3
128.04488	7.7
128.52545	4.1
128.98602	14.1
129.01866	1.9
129.52647	2.0
130.52589	11.0
130.53485	6.8
131.00250	2.1
131.01912	10.3
131.02757	2.0
132.05080	3.5
133.02496	4.0
133.03506	9.9
133.05080	1.6
133.06494	4.2
133.07594	2.1
133.10144	8.9
133.98904	4.1
134.01245	1.4
134.03638	1.3
134.04633	2.1
134.06020	10.4
134.07127	4.1
134.08075	1.8
134.99661	33.9
135.03015	5.7
135.04425	2.2
135.05489	2.5
135.09178	3.8
135.52678	3.4
136.05211	1.4
137.02879	31.4
138.03001	1.6
139.53098	11.6
140.00208	3.0
142.03406	6.5
143.03397	2.1
145.03490	1.5
145.48933	1.5
146.03026	2.2
146.97467	1.3
146.99658	29.8
147.00867	1.5
147.01387	2.8
148.53632	5.0
149.01283	1.8
149.02960	3.3
150.96875	4.4
151.02815	4.1
151.03938	18.7
151.06070	8.2
151.07582	17.5
151.08682	7.5
151.09810	8.1
151.11238	16.0
152.01711	3.6
152.05692	100.0
152.07040	20.4
152.08221	3.4
152.10722	3.8
152.11842	7.1
153.00684	5.7
153.04083	28.1
158.01247	8.5
158.99663	3.3
159.03310	1.5
160.04509	2.5
161.01282	2.7
161.02956	3.0
162.99207	3.2
163.02679	1.7
165.00691	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	151.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93457	5.4
53.03941	10.1
55.01853	12.4
55.05516	9.9
56.05040	59.8
56.96296	4.8
56.96567	86.5
57.03446	34.4
57.04744	7.9
57.05371	48.2
59.04979	8.5
60.89919	4.3
61.01159	25.5
61.02934	23.8
61.93966	4.3
62.01474	14.2
63.00730	11.9
63.51575	4.7
65.03937	4.8
67.05497	46.5
67.37725	4.2
68.99786	5.0
69.03416	19.5
70.06593	7.9
71.04979	8.3
71.60238	9.5
72.71465	5.2
73.02911	42.3
74.04859	4.0
74.06078	5.0
74.97608	5.7
76.56549	4.3
77.00822	7.9
79.05491	31.3
79.91454	4.0
81.03425	21.9
81.07059	57.7
82.06546	5.4
83.00751	6.3
83.04971	8.3
85.02906	22.5
86.03690	6.7
86.52681	7.4
88.02988	4.8
89.06029	11.3
90.01575	8.0
91.05497	40.4
92.01312	12.2
93.07053	48.5
95.01343	5.4
95.04971	44.4
95.08613	57.4
96.01551	4.9
96.08121	7.2
97.02890	12.9
98.01295	14.8
98.97589	41.6
100.02475	11.1
100.11263	16.5
101.00789	10.5
101.03416	6.6
101.52383	8.6
101.53236	5.4
102.05579	7.9
103.02431	7.3
103.05896	13.6
104.05319	6.8
105.02074	9.2
105.03394	5.0
105.05682	46.5
105.07030	72.1
106.04898	22.3
107.08620	43.7
109.02878	9.4
109.06516	53.5
109.10165	41.0
110.01290	54.7
110.04070	6.4
116.00197	5.8
116.98622	40.9
118.03550	14.4
119.01826	93.3
119.51969	5.0
121.52073	5.9
123.04450	22.9
123.05592	5.5
123.08073	56.6
123.11712	23.9
124.07582	6.7
127.03918	8.1
128.02338	69.2
128.04657	5.0
128.98595	14.0
130.52618	16.5
131.01912	8.3
133.03482	6.2
133.04932	8.5
133.06491	15.8
133.10143	21.5
133.98904	4.6
134.03577	30.2
134.06013	11.1
134.99652	28.0
135.02873	13.1
137.02879	32.5
139.53119	19.4
140.00253	7.4
142.03497	8.0
146.99644	27.6
151.02792	13.0
151.03934	50.6
151.04967	8.9
151.06090	12.6
151.07550	57.2
151.08658	10.6
151.11208	51.6
152.01671	13.8
152.03358	7.7
152.05672	100.0
152.07048	30.9
153.04092	25.0
157.03447	5.1
158.01337	11.1
161.02893	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	150.0584
Annotation	D-Methionine
Peak:m/z	Relative Intensity
53.03944	0.8
56.05037	100.0
56.96565	5.6
57.03436	3.0
57.05372	1.0
58.06608	2.5
59.07383	1.8
59.68010	0.5
61.01152	58.9
61.02925	1.0
64.64619	0.6
67.05508	4.7
69.03436	1.4
69.89458	3.2
73.02912	2.3
74.02438	6.2
74.06078	7.8
75.02742	0.7
77.00698	0.6
81.03432	1.2
83.00797	1.1
84.04507	4.7
85.02912	4.8
85.35270	0.6
86.03724	0.6
87.02695	14.3
88.02698	1.2
89.00770	1.1
90.01562	0.7
92.01309	0.8
93.53503	1.1
94.06567	16.2
95.04930	0.8
96.01587	1.4
96.04466	0.9
97.02881	1.1
97.99186	0.9
98.01292	0.9
98.21420	0.8
98.97588	4.2
99.53510	0.6
100.02495	2.4
101.00846	0.7
102.05547	22.7
104.01305	1.0
104.05331	78.7
105.00118	1.0
105.02042	0.6
105.03720	1.4
105.05707	0.9
106.06557	3.6
109.02869	0.7
109.05218	0.6
110.01239	2.3
113.53188	0.8
115.02419	0.8
116.98615	2.7
118.03570	1.7
119.01836	7.1
119.03609	0.7
122.06030	7.8
127.04025	0.7
128.02325	3.8
128.98642	0.6
131.01901	0.7
133.03194	51.8
134.03508	1.5
134.99661	0.9
136.52759	0.6
137.02841	1.8
142.03494	2.0
145.03455	2.2
146.02998	1.1
146.99622	0.8
150.02675	0.9
150.05547	28.7
150.07698	7.9
151.06075	0.9
154.03520	0.6
159.54236	0.6
160.04477	0.6
161.02890	0.7
162.99117	0.7
168.06500	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	150.0552
Annotation	2,3-Dihydroxyindole
Peak:m/z	Relative Intensity
53.03950	3.0
54.03467	0.6
55.01867	0.7
56.01396	0.8
56.05042	3.1
56.96572	8.4
57.03439	2.4
58.06636	0.4
59.20847	0.5
59.49095	0.5
60.04522	1.2
61.01151	1.0
61.02917	1.3
65.03952	4.5
66.04276	1.4
67.05511	22.5
68.05045	3.2
68.95284	0.6
69.03429	1.3
69.07059	0.7
70.06578	0.7
71.06092	0.5
71.28322	0.5
71.28640	0.9
72.04504	0.9
72.93777	0.8
73.02929	2.8
74.02448	7.9
74.06068	0.6
75.03226	0.9
75.05585	0.6
76.03999	2.5
79.05495	4.8
80.05027	1.1
81.03420	2.1
81.04544	0.6
81.07057	1.7
82.06580	1.3
83.00800	0.7
83.06120	1.2
84.04533	0.7
84.08131	2.3
84.96024	0.4
85.02919	2.3
86.06077	0.7
87.05609	1.3
88.04016	1.1
88.07639	0.6
89.00770	0.6
90.01553	0.7
90.90362	0.6
90.94855	0.8
91.05495	1.4
93.05801	1.1
93.07063	1.2
94.06577	55.8
95.04992	3.6
95.06092	2.0
95.06879	0.8
95.08617	1.5
96.01523	0.6
96.04492	1.4
96.08127	1.0
97.02913	1.2
98.01319	0.9
98.97601	2.7
102.01892	3.2
102.05524	0.9
103.05074	0.8
104.01277	1.0
104.05336	1.0
104.07123	0.6
105.02044	0.9
105.03371	0.6
105.04529	0.6
105.07030	3.6
106.06565	16.0
107.06090	1.1
107.08591	1.1
108.04509	0.9
109.02892	0.7
109.06499	1.8
109.07646	7.3
109.52009	0.6
110.01286	2.9
110.07217	0.5
110.08432	10.3
110.52934	0.5
111.07962	0.7
113.01759	0.6
114.05519	0.5
116.00241	0.5
116.98619	2.5
117.51832	0.6
119.01812	4.8
121.02852	0.7
122.03230	3.4
122.06042	35.1
122.07008	1.4
122.10452	0.7
123.04455	1.1
123.05552	1.1
123.08070	1.9
123.09201	6.7
123.11735	0.7
127.01572	0.8
127.03901	0.5
128.02324	4.1
128.98637	1.4
130.52585	0.9
132.05348	0.6
132.06566	1.6
133.03125	1.1
133.05000	0.5
133.06636	0.5
133.07620	1.7
133.10120	0.6
134.99661	2.0
137.02829	1.8
139.53098	1.3
144.98233	0.5
146.99655	1.4
148.03978	0.9
150.02777	13.8
150.05518	100.0
150.09123	1.9
150.10275	13.8
150.96919	0.8
151.02861	0.8
151.03978	2.5
151.05943	4.0
151.07492	1.9
151.08685	1.1
151.09818	0.9
151.11238	1.1
152.03308	0.6
161.01250	0.5
162.99156	0.6
165.00781	0.6
167.97128	0.5
168.05162	0.9
168.06583	17.9
169.06944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.5
55.05505	6.5
65.03938	31.0
67.02989	30.2
67.05511	3.4
68.05026	5.8
69.07068	8.8
71.60717	2.5
79.05489	10.1
80.05011	3.0
81.04529	7.3
81.07052	22.2
86.69963	2.2
89.47664	2.1
91.05479	11.0
93.03400	8.1
93.07041	53.0
94.06592	2.2
94.89761	2.3
95.04924	2.8
95.06059	3.4
98.03632	2.4
100.88134	2.1
105.07037	4.1
107.06109	5.7
107.08597	36.9
108.05596	8.7
108.06874	8.9
109.07691	5.4
110.08436	7.7
111.04436	7.6
115.14726	2.5
121.02861	39.6
121.04004	10.0
121.06540	2.3
121.10148	17.0
122.07156	24.3
140.08224	5.0
144.66667	2.2
148.08688	2.4
149.02342	100.0
149.07069	2.1
149.08235	43.7
149.09428	3.6
149.13269	27.1
149.28180	2.8
150.02654	5.7
150.03726	3.8
150.05533	4.0
150.07712	4.1
150.10254	16.1
150.13504	2.6
160.78456	2.3
167.03482	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	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01860	4.9
55.05510	10.1
65.03941	31.3
67.05167	2.7
67.05508	33.8
69.07073	19.6
71.58073	2.1
76.30427	1.4
79.05494	53.7
81.03409	5.1
81.07058	85.3
82.07364	2.2
83.08610	4.6
91.05481	30.0
92.05812	2.5
93.03408	5.9
93.07046	100.0
94.07381	3.7
95.04970	9.2
95.08141	1.5
95.08614	15.7
100.92960	1.6
103.05481	5.6
105.04520	2.2
105.07022	11.1
107.04956	50.3
107.08599	76.5
108.04470	2.2
109.06520	3.9
111.04437	6.5
116.06201	1.9
119.04953	2.7
119.08604	2.6
120.05695	7.3
121.02017	2.2
121.02881	44.9
121.03988	6.7
121.06522	9.9
121.10153	30.0
122.03143	2.2
131.04958	3.3
131.08556	2.9
147.54736	1.7
149.02347	97.6
149.05972	7.7
149.09622	40.1
149.13261	77.5
150.02640	5.0
150.03726	2.5
150.05510	1.7
150.13531	3.9
167.03404	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03942	4.1
55.05503	6.9
62.23883	1.6
63.20735	1.4
64.46490	1.6
65.03600	2.5
65.03940	31.4
67.05501	9.3
69.07066	15.3
69.36975	1.6
69.37263	16.6
79.05489	21.2
81.07053	40.5
82.07352	2.1
83.08609	2.1
91.05473	22.1
93.03407	8.5
93.07037	70.6
94.06570	2.0
94.07362	1.9
95.04961	4.3
95.08604	7.2
98.03658	2.3
103.05453	3.0
104.06304	1.5
105.03373	4.4
105.04490	2.1
105.07015	7.6
107.08587	55.1
108.08927	1.7
109.06500	3.9
111.04447	6.5
116.06258	2.2
121.02866	42.3
121.03955	6.2
121.06507	10.2
121.10145	27.3
122.03189	2.4
131.04942	4.8
131.08559	2.4
149.02339	100.0
149.05977	6.8
149.09599	10.5
149.13255	54.2
150.02707	6.4
150.05472	3.0
150.13631	2.5
165.61205	1.6
167.03413	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.5
55.05505	6.5
65.03938	31.0
67.02989	30.2
67.05511	3.4
68.05026	5.8
69.07068	8.8
71.60717	2.5
79.05489	10.1
80.05011	3.0
81.04529	7.3
81.07052	22.2
86.69963	2.2
89.47664	2.1
91.05479	11.0
93.03400	8.1
93.07041	53.0
94.06592	2.2
94.89761	2.3
95.04924	2.8
95.06059	3.4
98.03632	2.4
100.88134	2.1
105.07037	4.1
107.06109	5.7
107.08597	36.9
108.05596	8.7
108.06874	8.9
109.07691	5.4
110.08436	7.7
111.04436	7.6
115.14726	2.5
121.02861	39.6
121.04004	10.0
121.06540	2.3
121.10148	17.0
122.07156	24.3
140.08224	5.0
144.66667	2.2
148.08688	2.4
149.02342	100.0
149.07069	2.1
149.08235	43.7
149.09428	3.6
149.13269	27.1
149.28180	2.8
150.02654	5.7
150.03726	3.8
150.05533	4.0
150.07712	4.1
150.10254	16.1
150.13504	2.6
160.78456	2.3
167.03482	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.73197	0.7
53.03939	1.0
55.01855	1.3
55.05508	4.4
65.03605	1.6
65.03940	27.7
67.05496	1.9
69.07070	7.2
69.65202	4.4
69.65607	1.1
77.03902	0.8
79.05488	6.5
80.14964	0.8
81.07058	13.1
82.92553	0.8
91.05482	9.9
93.03408	9.0
93.07040	33.1
93.07632	1.9
94.07372	1.6
94.81527	0.9
95.04971	2.3
95.08596	1.9
103.05456	1.8
105.07018	2.8
107.04974	1.2
107.08597	23.7
108.66003	0.8
109.06508	5.1
111.04443	6.8
119.08593	1.0
121.02864	39.7
121.03957	7.2
121.06487	6.5
121.10151	12.9
122.03175	1.8
123.08107	0.9
131.04926	1.3
134.23238	0.7
149.02339	100.0
149.05977	2.2
149.09621	5.9
149.13261	20.4
150.02658	5.7
150.05460	1.0
150.13553	1.1
167.03401	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03950	3.3
54.16774	1.9
55.05513	10.0
64.71870	2.0
65.03932	6.7
67.05505	5.7
69.07072	25.0
69.35350	7.1
69.35774	14.9
73.47729	1.7
79.05499	20.4
79.54494	2.0
81.07057	32.5
86.13148	1.8
91.05487	20.6
93.07050	100.0
94.74522	1.8
95.04955	6.4
95.08614	7.4
96.59273	1.8
97.03651	1.9
100.13672	1.9
101.16967	1.9
105.07028	13.6
107.08599	88.2
109.42672	1.7
121.02853	10.3
121.10151	44.0
122.10492	2.0
149.02353	22.0
149.13269	58.9
150.13524	2.5
168.61925	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.05507	14.0
57.07071	2.0
65.03931	8.1
67.05502	5.5
67.51464	2.0
69.07068	22.9
70.74114	2.5
70.74461	5.2
79.05491	28.7
80.41885	1.9
81.07062	40.9
91.05479	24.7
93.03410	2.4
93.07040	100.0
94.07362	3.5
95.04977	7.0
95.08598	9.8
105.07030	14.7
107.08594	98.3
108.08867	2.2
109.06472	3.2
119.08551	2.7
121.02872	12.4
121.03899	2.8
121.10132	48.4
149.02362	32.0
149.13254	62.6
150.13606	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	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03934	4.2
55.01857	4.1
55.05505	8.4
57.07066	1.8
65.03938	27.6
67.05496	4.0
69.07068	12.6
71.58141	2.2
73.25372	1.0
78.89880	1.0
79.05489	21.6
81.03423	1.5
81.07052	18.7
91.05478	33.0
92.05788	1.4
93.03391	8.6
93.07041	77.7
94.07399	1.8
94.14576	0.9
94.82044	1.2
95.04967	9.2
95.08594	3.7
98.03682	2.6
103.05470	7.4
105.04519	1.6
105.07023	18.9
105.07674	1.6
106.07324	1.3
107.04941	7.3
107.08591	67.4
107.29430	1.2
108.04491	2.1
108.08904	2.7
108.60601	1.2
109.06518	13.0
111.04434	7.0
113.62397	1.0
116.06199	1.6
119.08578	4.2
121.01997	1.9
121.02866	37.8
121.03954	5.8
121.06503	34.8
121.10139	41.2
122.03220	2.2
122.06045	1.9
122.06828	1.5
122.10469	2.0
123.08041	2.0
131.04926	9.3
131.08574	5.0
133.10114	1.3
145.01031	1.1
149.02341	100.0
149.05978	17.5
149.09624	22.1
149.13254	43.2
150.02628	7.5
150.03685	0.9
150.05444	1.3
150.10034	1.3
150.13638	1.9
150.42487	1.0
167.03406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03938	3.6
55.01857	2.7
55.05510	10.5
62.24350	1.7
65.03935	22.6
67.05495	3.9
69.07060	13.0
71.48712	2.2
71.49057	2.8
79.05486	14.3
81.07053	13.5
91.05486	24.7
93.03400	7.3
93.07046	53.9
94.07363	2.2
95.04980	4.0
95.08598	5.2
103.05467	4.3
105.04501	2.2
105.07005	8.4
107.04286	1.6
107.07864	3.0
107.08592	46.2
109.06532	7.8
111.04458	8.8
116.06179	1.9
119.08616	3.8
121.02866	41.4
121.03957	8.2
121.06499	37.2
121.10147	32.0
122.06814	1.8
122.10501	3.2
131.04935	3.5
131.08577	2.0
149.02347	100.0
149.05980	7.1
149.09601	18.3
149.13268	32.5
150.02708	3.9
167.03458	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74646	1.7
53.03939	3.7
55.01859	1.8
55.05513	28.5
57.07077	4.0
58.30759	1.9
60.96691	1.9
62.08461	1.6
64.63788	1.5
65.03945	9.3
67.05487	5.7
69.06728	2.2
69.07069	30.7
71.51675	3.6
79.05488	23.7
81.07049	14.7
90.69071	2.1
91.05480	27.6
93.03380	2.2
93.07043	76.7
95.04958	3.1
95.08599	8.1
96.88886	1.8
103.05450	3.1
105.07027	14.0
107.08589	100.0
108.08874	3.1
109.06531	2.6
111.04430	1.9
119.05979	2.0
119.08561	3.2
121.02860	17.9
121.03951	3.3
121.06487	4.9
121.10143	50.4
121.11028	3.0
122.03239	1.9
122.10477	3.1
131.04921	2.2
133.10146	2.2
149.02339	42.6
149.09578	2.4
149.13254	55.8
150.02681	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	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03938	3.3
55.05515	30.9
65.03932	7.3
67.05499	5.0
69.07070	27.5
69.23344	2.3
71.57763	4.2
75.89684	2.4
79.05491	20.1
81.07065	16.6
91.05493	18.8
93.07049	75.6
95.04958	4.4
95.08598	9.8
105.07035	16.8
107.08595	100.0
108.08918	4.0
109.06547	2.9
119.08556	5.6
120.09351	2.8
121.02888	4.5
121.10137	55.1
123.08147	2.7
149.02353	14.6
149.09636	3.2
149.13261	70.7
150.02715	3.3
150.13577	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	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03932	6.1
55.01858	1.8
55.05513	15.9
57.07072	2.7
65.03936	21.2
66.04266	1.5
67.05490	4.9
68.98612	1.3
69.06786	1.6
69.07070	20.5
70.99914	4.9
79.05494	23.5
81.07058	28.1
83.08644	2.6
91.05482	26.0
93.03402	7.0
93.07043	100.0
94.07388	2.9
95.04965	5.1
95.08597	7.6
103.05466	3.9
105.07036	17.5
107.04889	1.7
107.08592	87.5
108.08878	2.3
109.06501	5.2
111.04436	5.7
114.70683	1.8
119.08602	4.4
121.02867	35.4
121.03966	5.7
121.06496	7.0
121.10134	51.8
122.03190	2.5
122.10545	2.0
123.08040	1.7
131.04933	5.5
131.08537	2.7
149.02348	90.6
149.05994	9.5
149.09615	6.8
149.13261	63.7
150.02707	4.9
150.05469	2.3
150.13564	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	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01862	2.1
55.05512	14.9
55.66186	1.3
57.07077	2.7
60.29650	1.5
60.40678	1.2
65.03938	24.2
67.05495	4.2
69.07068	22.6
71.04033	3.8
79.05490	19.7
81.07053	18.4
91.05489	22.4
93.03401	7.2
93.07048	69.6
94.07369	2.4
95.04971	6.0
95.08598	5.2
96.46661	1.5
98.03683	2.1
103.05457	3.4
105.04481	1.6
105.07027	14.7
105.71529	1.2
107.04930	2.2
107.08598	74.1
108.08945	3.7
109.06519	6.0
110.53722	1.2
111.04420	7.3
114.17508	1.2
119.06069	1.4
119.08582	4.4
121.02876	38.9
121.03965	5.1
121.06519	14.4
121.10149	42.4
122.03179	2.8
122.10447	1.8
131.04903	3.6
131.08600	2.8
134.10965	1.7
149.02342	100.0
149.05974	5.9
149.09637	9.5
149.13266	48.1
150.02657	8.0
150.03708	1.9
150.05438	1.6
150.13545	3.1
152.77278	1.5
167.03444	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01861	2.6
55.05505	3.8
59.49252	0.8
65.03605	1.7
65.03943	28.6
66.66422	0.8
67.05515	2.5
68.99772	1.0
69.07067	6.1
71.60343	1.5
78.04716	1.0
79.05489	7.7
81.07057	10.0
81.33484	0.8
89.03902	3.3
91.05483	14.2
93.03420	7.6
93.07053	31.0
94.07349	1.0
95.04961	3.9
95.08581	2.1
98.03664	2.2
103.05452	4.0
105.07038	7.7
106.04167	1.4
107.04924	1.8
107.07387	1.5
107.08600	28.5
108.08906	0.9
109.06527	2.0
111.04433	6.6
112.04794	0.9
114.19350	1.0
117.03407	1.3
119.08563	1.4
121.01994	2.0
121.02872	37.5
121.03986	7.5
121.06512	8.8
121.10147	18.4
122.03214	3.1
122.06091	1.1
122.07057	1.3
122.09663	1.2
122.10527	1.5
123.08049	1.4
131.04948	2.5
131.08533	2.3
132.08063	1.0
133.69678	0.9
134.03613	1.3
135.04422	0.9
135.09442	0.8
140.08217	1.0
149.02351	100.0
149.05951	9.0
149.08331	2.0
149.09624	9.7
149.13271	15.5
150.02719	7.7
150.03773	1.6
150.05463	1.8
150.06549	1.1
150.09140	4.9
150.10170	1.1
167.03433	1.7
169.03442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03941	3.9
54.75671	1.6
55.01873	3.5
55.05507	9.5
58.18996	1.6
65.03936	24.1
67.05170	2.3
67.05503	29.0
68.99785	1.9
69.07065	14.7
69.49017	7.2
69.49445	6.8
79.05060	3.3
79.05491	46.5
80.05836	1.5
81.03413	5.9
81.07054	71.8
82.07408	2.3
83.08610	3.8
91.05479	31.3
93.03401	6.2
93.07040	80.8
94.07384	4.6
95.04947	7.2
95.08617	12.7
103.05457	4.6
105.07021	8.8
107.04205	1.8
107.04947	50.2
107.08592	67.6
108.08886	1.7
109.06524	7.5
111.04439	5.5
119.08592	2.1
120.05698	8.3
121.02866	35.0
121.03948	5.0
121.06509	21.7
121.10133	28.3
131.04898	4.7
131.08571	2.5
149.02338	100.0
149.05954	5.1
149.09613	39.2
149.13252	71.4
150.02629	3.6
150.03697	3.3
150.05510	2.8
150.10008	2.7
150.13583	4.1
167.03384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79451	1.5
53.03943	3.2
55.01878	1.8
55.05512	15.2
65.03945	26.5
67.05504	5.8
69.06763	2.0
69.07073	19.6
69.90482	4.5
69.90893	8.2
79.05495	23.7
80.46629	1.7
81.07057	22.3
83.08636	1.8
91.05491	26.2
93.03421	9.7
93.07047	83.6
94.07373	2.4
95.04975	7.9
95.08589	4.5
98.20902	2.4
103.05466	7.1
105.07030	17.3
105.90853	1.8
107.04932	2.6
107.08598	76.0
108.08889	2.8
109.06533	5.0
111.04436	6.8
119.08568	4.7
119.30984	1.9
121.02870	39.1
121.03958	6.0
121.06515	13.7
121.10146	53.3
121.11031	2.6
123.08046	2.7
131.04936	6.5
131.08559	2.4
149.02351	100.0
149.05943	11.7
149.09598	9.8
149.13271	55.7
150.02670	6.4
150.13539	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03942	6.2
54.73368	1.4
55.01852	2.6
55.05514	10.7
59.83844	1.5
65.03637	2.3
65.03939	18.8
67.05169	2.4
67.05502	35.4
69.07070	20.2
70.00512	7.4
70.52879	1.5
79.05490	51.0
81.03417	2.3
81.07056	90.2
82.07382	2.9
83.08625	6.7
91.05487	17.8
93.03400	4.6
93.07040	100.0
94.07355	3.2
95.04956	5.8
95.08598	16.6
103.05468	3.0
105.04547	1.5
105.07042	7.1
107.04926	1.9
107.08592	77.1
108.08958	1.9
111.04417	2.9
119.08649	1.6
121.02866	21.3
121.03983	3.8
121.06516	4.4
121.10133	26.6
121.37030	1.4
131.04936	1.8
149.02350	46.7
149.05984	4.3
149.09630	10.2
149.13255	87.1
150.02719	2.3
150.13582	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03930	3.4
53.25909	1.0
55.01860	1.8
55.05493	4.1
65.03613	1.3
65.03940	23.3
67.05508	8.5
69.03455	1.4
69.07061	6.8
71.40341	1.6
71.47372	1.0
79.05491	18.2
81.07052	25.0
85.51225	1.1
91.05470	15.8
93.03402	9.5
93.07040	33.6
95.04967	4.7
95.08586	4.5
98.03652	2.4
103.05435	4.8
105.03381	1.8
105.07016	3.8
107.04955	1.7
107.08588	24.5
109.06516	7.4
111.04434	8.0
111.70359	1.2
119.08553	1.5
121.01990	2.3
121.02862	36.7
121.03962	6.6
121.06502	17.2
121.10139	11.7
122.03179	2.0
131.04915	2.3
131.08578	1.8
149.02339	100.0
149.05927	9.8
149.09618	12.5
149.13248	23.0
150.02673	7.1
150.03737	1.6
150.05421	2.3
150.13576	1.2
167.03381	3.0
169.03485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01878	7.7
55.05494	1.8
57.03432	1.3
65.03940	25.5
66.04272	1.1
67.05494	3.6
69.03422	2.7
69.50453	9.3
70.06622	1.0
74.09647	1.1
79.05492	19.9
80.05843	1.2
81.07058	3.1
82.61153	1.1
89.03922	4.2
91.05481	25.5
93.03400	7.3
93.07039	24.4
94.07400	1.3
95.04962	3.9
95.06120	1.2
97.11152	1.0
98.03624	1.3
98.20696	1.3
103.05447	3.7
105.07035	22.0
106.06563	1.6
106.07277	1.2
107.04975	11.9
107.08592	28.7
108.04510	1.2
108.08916	1.6
109.06509	5.0
109.07633	2.1
110.08423	4.2
111.04436	6.3
116.06269	2.1
117.03371	2.1
119.08550	1.4
121.02870	42.3
121.03970	5.2
121.06491	13.5
121.10133	8.3
122.03198	2.1
122.06050	1.1
122.07101	3.1
123.08080	1.1
123.09160	1.9
129.07001	2.4
131.04910	3.6
131.08577	16.6
132.04454	1.2
133.07610	1.4
149.02345	100.0
149.05975	9.0
149.09624	50.1
149.13315	1.6
149.97835	1.2
150.02716	7.2
150.03712	1.4
150.05482	2.2
150.06577	2.2
150.09120	2.2
150.10208	6.3
169.03447	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03928	3.6
55.01878	7.7
55.05494	1.8
57.03432	1.3
65.03940	25.5
66.04272	1.1
67.05494	3.6
69.03422	2.7
69.50453	9.3
70.06622	1.0
74.09647	1.1
79.05492	19.9
80.05843	1.2
81.07058	3.1
82.61153	1.1
89.03922	4.2
91.05481	25.5
93.03400	7.3
93.07039	24.4
94.07400	1.3
95.04962	3.9
95.06120	1.2
97.11152	1.0
98.03624	1.3
98.20696	1.3
103.05447	3.7
105.07035	22.0
106.06563	1.6
106.07277	1.2
107.04975	11.9
107.08592	28.7
108.04510	1.2
108.08916	1.6
109.06509	5.0
109.07633	2.1
110.08423	4.2
111.04436	6.3
116.06269	2.1
117.03371	2.1
119.08550	1.4
121.02870	42.3
121.03970	5.2
121.06491	13.5
121.10133	8.3
122.03198	2.1
122.06050	1.1
122.07101	3.1
123.08080	1.1
123.09160	1.9
129.07001	2.4
131.04910	3.6
131.08577	16.6
132.04454	1.2
133.07610	1.4
149.02345	100.0
149.05975	9.0
149.09624	50.1
149.13315	1.6
149.97835	1.2
150.02716	7.2
150.03712	1.4
150.05482	2.2
150.06577	2.2
150.09120	2.2
150.10208	6.3
169.03447	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03941	2.8
55.01868	4.4
55.05502	2.3
57.03433	1.6
65.03608	1.3
65.03944	26.2
68.67423	0.8
69.03419	3.1
69.07063	1.6
71.30189	2.0
78.04688	1.5
79.05496	14.5
81.07055	2.2
84.07098	0.8
85.04066	1.0
89.03928	9.8
91.05482	34.1
93.03411	8.2
93.05762	1.1
93.07043	27.3
95.04970	6.1
95.06011	1.1
98.03683	2.4
103.05461	7.7
105.06393	1.6
105.07039	23.5
106.07868	1.9
106.35997	1.0
107.04942	4.4
107.08611	9.9
109.06529	5.2
109.07631	2.9
110.08419	2.8
111.04453	7.8
115.05447	3.4
116.06242	11.4
117.03374	6.3
119.08588	6.2
121.01998	2.3
121.02869	40.8
121.03973	8.9
121.06507	19.4
121.10146	29.8
122.03246	1.4
122.06062	0.9
122.07092	3.7
122.10448	1.5
123.08080	4.5
123.09156	1.2
124.05224	1.2
129.07011	4.2
131.04936	3.5
131.08577	17.2
133.07602	2.4
134.03665	2.5
134.07248	2.3
135.04471	1.7
147.08034	2.5
149.02351	100.0
149.05991	14.9
149.09627	92.6
149.13286	2.5
150.02669	6.1
150.05470	2.1
150.06490	1.5
150.10124	7.0
167.03418	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02370	0.6
53.03938	2.8
55.01854	2.9
55.05516	1.4
56.05037	0.9
56.96562	3.3
57.03413	0.7
59.06127	0.9
60.08144	2.2
65.03935	28.5
66.04278	0.7
67.05489	1.9
68.05007	0.9
69.03417	1.1
69.07024	0.7
70.02132	2.7
71.06068	0.6
71.42945	0.6
74.00270	0.6
74.02428	2.2
74.04799	0.6
76.04015	1.0
79.05487	23.9
80.05038	0.9
81.03410	0.9
81.07063	3.1
82.06548	0.8
83.06097	0.7
85.04042	1.5
85.04813	0.7
91.05476	18.5
93.03394	7.7
93.07039	27.8
94.06548	2.7
94.07151	0.5
95.04974	6.4
95.06064	1.4
97.52605	0.7
98.03661	2.1
103.05461	61.6
104.05814	3.9
105.03387	1.0
105.04516	1.1
105.07011	3.4
106.06613	0.7
107.04951	15.9
107.08581	2.6
108.04473	1.1
109.06513	8.2
109.07661	2.4
110.08413	2.2
111.03819	1.0
111.04463	8.3
116.06245	0.8
119.06043	0.9
121.02860	46.0
121.03963	9.9
121.06494	25.8
121.10147	4.4
122.03183	1.4
122.06034	1.4
122.06832	1.2
122.10437	0.8
123.09171	2.2
129.06993	0.9
131.04935	8.3
131.08556	1.6
139.04976	1.3
149.02338	100.0
149.05969	11.8
149.07111	1.3
149.08321	1.3
149.09596	9.8
149.13242	1.4
150.02669	4.2
150.03719	1.3
150.05496	5.2
150.07727	0.8
150.10254	4.6
151.07108	0.7
167.03363	2.0
169.03445	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92123	1.0
51.54443	1.0
51.88233	1.0
55.01853	1.2
55.05514	6.5
64.92802	3.1
65.03931	2.4
67.05484	1.8
69.07051	1.6
69.51019	7.0
69.51440	2.2
79.05479	6.6
80.54359	1.1
81.07067	1.5
91.05484	54.2
92.05814	2.0
93.07040	3.6
103.05476	4.1
104.06263	1.6
105.07034	60.9
106.07347	3.1
107.04936	1.4
107.08593	4.5
108.16263	1.0
115.05471	1.5
117.07035	13.8
119.04951	17.9
119.08586	100.0
120.05278	1.6
120.08899	5.2
123.96458	7.3
124.21030	1.3
128.06181	0.9
129.06972	2.7
130.90901	1.1
131.08595	1.7
132.05652	1.7
132.09355	5.7
138.78831	1.2
145.10120	8.5
147.04410	12.9
147.05528	3.3
147.08051	17.2
147.11691	72.8
148.03903	2.3
148.07462	1.7
148.08524	1.8
148.12083	5.1
162.50491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
55.05502	4.0
64.92796	6.4
65.03936	5.7
67.05492	1.8
69.03433	1.3
69.07059	1.9
69.32912	2.0
69.33311	13.1
79.05512	3.3
91.05480	100.0
92.05807	4.8
98.21519	2.5
103.05453	2.1
105.07030	43.6
107.08571	2.5
117.07033	5.0
119.04947	91.3
119.08582	45.1
120.05280	7.7
120.08956	3.5
123.96459	13.2
132.09288	3.0
133.39018	1.5
145.10138	3.3
146.98093	2.0
147.04417	57.3
147.05443	2.9
147.08098	4.8
147.11688	41.2
148.04794	3.9
148.12036	3.5
153.41336	1.3
163.15756	1.3
166.25197	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0604
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
53.38067	0.6
56.05031	5.2
56.96564	4.5
57.03424	1.8
58.06616	0.5
59.04987	0.6
60.04522	2.3
65.03937	4.1
67.05509	0.9
68.69675	0.5
69.03432	1.1
69.86154	2.7
70.06613	2.5
71.04992	1.5
72.08154	1.2
74.02439	2.4
74.06063	1.1
79.52983	0.5
81.03403	0.6
83.04981	1.9
83.63852	0.5
84.04507	100.0
84.08142	3.5
85.02895	2.8
85.04832	6.4
85.06539	3.0
85.08488	2.7
87.05595	0.9
88.02686	0.7
88.03996	4.1
88.07632	1.7
91.05485	1.8
91.08679	0.5
92.05811	4.6
93.03416	0.6
94.02690	0.6
100.02478	1.3
102.05546	23.2
102.09193	2.0
103.03206	1.1
103.05976	0.6
105.53449	0.7
106.05035	1.0
111.02084	0.7
111.04460	1.6
114.53962	0.8
118.03516	1.9
119.01935	1.0
119.04957	0.8
120.05279	5.7
121.02881	6.1
121.03947	0.9
121.06471	0.7
123.54520	2.0
130.04999	13.6
130.08589	0.8
130.09738	1.1
131.05382	2.8
131.09015	0.5
133.03477	1.5
134.02307	0.8
142.03490	0.6
144.05049	0.6
145.03484	1.2
148.04761	2.9
148.06042	2.6
148.09724	2.2
149.01160	1.1
149.02347	17.4
149.06044	0.7
151.04492	1.1
152.04893	0.6
160.97597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03912	1.1
54.96595	1.2
55.05511	8.6
64.92812	6.2
65.03934	4.0
67.05494	3.4
69.07083	2.1
69.96098	6.1
71.32221	1.2
77.00748	1.1
79.05493	7.7
81.07039	3.0
82.66412	1.1
83.61308	1.0
84.04504	4.3
84.08135	1.2
91.05486	56.6
92.05827	2.2
93.07043	4.7
95.04984	1.6
98.20819	1.6
103.05470	5.2
105.07037	87.0
106.07346	3.1
107.08601	3.0
113.73583	1.1
115.05431	1.5
116.06222	1.9
117.07021	9.8
119.04949	32.6
119.08583	100.0
120.04476	1.7
120.05281	1.7
120.08921	4.6
123.96459	12.1
128.97627	1.4
129.07005	1.7
131.31602	1.1
132.09337	2.9
142.70499	1.2
145.10115	6.6
146.98146	1.7
147.03232	1.4
147.04446	26.0
147.05527	6.1
147.08035	9.5
147.11696	80.0
148.03912	4.7
148.04924	1.8
148.07564	2.5
148.12003	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	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05513	12.5
61.40647	1.0
67.05519	7.1
69.07057	2.9
70.23267	5.6
79.05494	8.6
81.07060	4.9
84.25119	1.1
91.05484	45.1
92.05819	1.9
93.07053	5.0
95.04948	1.1
99.05241	1.0
103.05483	2.8
105.07034	100.0
106.07372	6.1
107.08601	4.4
117.07026	7.9
118.07833	1.2
119.04945	6.0
119.08583	85.2
120.08913	3.6
122.55267	1.1
123.96466	2.6
124.69003	1.1
131.08591	1.4
132.09349	3.9
144.64713	1.0
145.10127	4.8
147.04416	4.3
147.08110	1.4
147.11691	73.8
148.12044	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05505	7.1
57.08201	0.9
64.92825	1.2
65.03936	1.2
67.05511	6.4
69.07063	3.4
71.35472	1.3
71.35791	1.2
79.05495	9.5
81.07047	4.1
91.05481	51.5
92.05804	1.2
93.07063	6.2
95.04964	2.8
103.05451	3.0
105.07031	100.0
106.07378	3.9
107.08569	3.5
115.05488	1.3
117.07008	8.3
118.07828	1.0
119.04944	20.7
119.08585	62.8
120.08919	3.3
123.96491	1.4
125.99158	0.9
131.08578	1.3
132.09340	3.9
145.10089	3.3
147.04417	12.6
147.08020	1.5
147.11688	60.6
148.04837	1.3
148.12053	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05512	8.2
64.92793	2.2
65.03931	2.2
67.05495	3.7
69.07048	3.2
71.57727	1.1
79.05488	5.9
81.07043	2.2
86.36919	0.9
91.05482	47.3
92.05807	2.2
93.07045	3.8
99.02052	0.9
103.05468	3.3
104.06274	1.2
105.07029	84.0
106.07349	4.8
107.08553	4.9
112.31004	1.1
115.05443	1.3
117.07028	9.4
119.04942	22.6
119.08581	100.0
120.05271	1.5
120.08918	4.5
120.36568	0.8
123.96463	4.4
129.07045	1.2
131.08560	1.7
131.80118	1.0
132.09357	3.4
133.06470	1.0
145.10112	6.8
147.04419	14.1
147.08055	9.2
147.11687	98.6
148.12012	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.05523	11.4
67.05507	5.9
69.00282	1.7
69.07073	2.3
70.36112	6.4
70.36472	1.4
79.05495	13.1
81.07049	5.8
86.33080	1.5
91.05483	46.1
92.05843	2.7
93.07047	6.5
95.04975	2.4
103.05444	2.8
105.07035	100.0
105.44466	1.5
106.07366	5.3
107.08604	4.1
108.41662	2.0
117.07024	6.7
119.04966	2.7
119.08585	77.5
145.10164	5.6
147.04405	2.1
147.11694	84.8
148.12033	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	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.6
65.03912	1.1
67.05500	4.0
69.07058	1.9
70.47832	3.9
79.05476	4.9
81.07056	2.2
90.62271	0.9
91.05481	34.8
92.05808	1.4
93.07042	3.8
101.11182	1.1
103.05457	3.2
104.06295	1.0
105.07033	75.2
106.07371	3.1
107.08597	5.2
108.99104	1.1
116.06184	1.1
117.07027	10.1
119.04950	5.5
119.08586	100.0
120.08907	4.0
123.96456	2.2
131.08559	1.5
132.09329	5.7
145.10118	6.9
147.04402	3.7
147.05518	1.2
147.08092	10.8
147.11691	95.7
148.11977	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05513	8.5
55.23735	1.2
61.47280	1.2
64.92792	2.8
67.05491	2.7
69.07064	1.8
70.46587	5.2
77.66281	1.2
79.05486	5.4
82.87917	1.3
87.80570	1.2
90.03971	1.5
91.05484	38.4
93.07038	3.9
95.04959	1.6
103.05479	2.5
105.07030	65.3
107.08588	7.6
112.21072	1.4
117.07021	13.8
119.04961	14.0
119.08585	83.8
120.08920	3.6
123.96461	4.1
130.07780	1.7
131.08548	2.4
132.09346	6.1
145.10126	6.9
147.04427	10.5
147.08092	2.7
147.11690	100.0
148.12022	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	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.05515	11.0
64.92786	2.3
66.23614	0.9
67.05495	1.7
69.07087	2.3
70.63901	3.3
77.57161	1.4
79.05486	3.9
81.07083	1.6
91.05479	41.1
92.05817	1.7
93.07024	2.9
102.49804	1.0
103.05456	2.6
105.07028	100.0
105.25275	0.8
106.07349	3.7
107.08617	2.5
117.07001	6.2
119.04939	25.0
119.08580	69.9
120.05276	1.4
120.08938	3.5
123.96471	5.2
128.06148	1.1
129.06946	1.0
131.08598	1.7
132.09306	1.9
145.10191	6.1
147.03355	1.6
147.04431	16.0
147.05507	1.7
147.08061	3.8
147.11685	82.7
148.07460	1.2
148.12009	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	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
54.41594	0.8
55.05510	8.3
64.92800	1.2
67.05491	2.0
69.07066	1.2
69.88850	1.4
69.89268	3.5
75.70107	0.9
77.46664	0.9
79.05490	3.8
81.07039	1.5
91.05477	25.0
93.07036	3.1
95.04977	1.3
103.05444	2.5
105.07034	47.8
106.07350	2.1
107.08596	6.6
115.39243	1.0
116.06276	1.7
117.07028	10.4
119.04947	4.3
119.08581	77.3
120.08881	3.5
122.86308	1.0
123.96469	3.5
130.07675	1.1
131.08542	2.8
132.09366	7.2
145.10091	5.8
147.04385	3.3
147.11687	100.0
148.12047	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	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05511	7.2
59.87115	1.1
64.92802	1.7
65.03945	1.4
67.05494	3.2
69.07069	2.6
70.95564	2.7
75.84865	1.0
79.05490	6.4
81.07072	2.5
91.05485	39.8
92.05827	2.4
93.07053	4.7
95.04978	1.5
101.02577	1.2
103.05453	3.9
105.07037	76.6
106.07347	2.5
107.08609	7.8
115.05473	1.3
117.07023	16.0
119.04967	6.0
119.08587	100.0
120.08920	4.9
123.96455	3.2
131.08578	2.1
132.09335	11.1
145.10150	3.8
147.04413	4.2
147.08022	1.4
147.11694	69.3
148.12032	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.35039	0.9
55.05505	11.8
55.35527	1.0
62.00569	1.1
65.03912	1.0
67.05497	1.1
69.07036	2.0
69.93499	6.4
79.05486	4.6
79.89306	1.2
81.07061	1.2
84.05991	1.0
91.05478	23.0
93.07029	1.3
94.39014	1.2
95.04940	1.2
103.05476	1.6
105.07026	100.0
106.07349	4.3
107.08573	2.2
117.07021	5.0
119.04929	6.7
119.08574	73.4
120.08894	2.2
123.54675	1.0
123.96496	2.0
132.09335	2.2
145.10085	6.9
147.04369	5.6
147.11681	91.2
148.12038	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05503	5.8
58.43941	1.9
64.92475	3.1
64.92807	47.9
66.03460	2.4
66.35167	1.5
67.05518	3.9
69.07055	2.3
70.89541	1.6
71.61289	2.9
79.05489	4.6
79.29269	1.9
80.05010	3.0
81.07028	3.0
84.04537	2.3
87.04501	2.8
88.04797	3.4
91.05480	39.5
93.07036	3.5
95.04882	1.8
103.05484	2.0
105.04515	2.8
105.07032	54.1
105.95422	4.4
106.07342	3.2
107.06071	4.7
111.07996	2.4
117.07029	5.1
119.04932	15.6
119.08583	53.6
120.05532	3.2
120.08923	4.6
121.07620	3.7
123.96454	100.0
132.09340	3.1
139.66693	2.6
145.10101	4.1
146.98036	26.7
147.04448	12.3
147.05505	4.6
147.06653	5.3
147.07971	4.5
147.11685	43.2
148.08664	11.5
148.12111	2.4
165.14832	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39643	1.5
55.05509	10.2
64.92802	5.9
65.03929	8.0
67.05505	2.4
69.07051	2.9
70.97996	3.6
79.05490	5.2
80.53386	1.4
81.07034	3.0
91.05482	83.0
92.05807	3.4
93.07034	3.3
103.05454	3.9
105.07029	80.2
106.07374	3.6
107.08590	3.8
117.06994	10.0
119.04946	70.8
119.08582	100.0
120.05304	4.9
120.08913	4.8
123.96467	13.0
132.09335	5.9
145.10114	8.8
146.97998	3.1
147.04419	47.0
147.05476	3.0
147.08023	7.8
147.11690	85.0
148.03760	1.9
148.04790	2.3
148.12045	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	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03637	1.4
52.62617	1.7
55.05494	7.1
69.07082	1.6
69.87531	4.2
69.87942	5.7
77.82568	1.7
79.05489	3.1
83.01150	1.5
91.05469	30.4
93.07082	2.2
98.20761	1.6
103.05456	4.5
105.07033	49.7
107.08586	7.8
117.07004	10.9
119.04954	14.3
119.08581	74.8
120.08905	2.3
123.96403	3.0
131.08528	3.2
132.09373	7.9
145.10147	7.4
147.04382	10.0
147.08052	2.0
147.11685	100.0
148.12045	6.1
155.02370	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.3
53.17747	1.1
55.05516	10.3
64.92804	4.2
65.03926	1.9
67.05512	2.0
69.07064	2.5
70.63429	2.6
70.63821	2.0
79.05489	4.5
81.07035	1.5
91.05484	35.0
92.05825	1.4
93.07013	1.9
102.05447	1.3
103.05479	3.0
105.07040	100.0
106.07349	5.7
107.08602	3.5
117.07001	7.5
119.04963	15.1
119.08588	69.7
120.04446	1.3
120.08920	4.1
123.96471	8.3
132.09383	3.9
145.10117	5.7
146.98048	1.8
147.04414	13.3
147.05563	3.3
147.08055	4.2
147.09178	1.9
147.11696	68.6
148.03879	2.5
148.04942	1.2
148.12025	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	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03932	1.4
55.01877	6.1
55.05502	1.6
62.66493	0.8
64.92795	2.6
65.03939	5.0
67.05503	1.4
69.03432	1.6
69.88406	4.7
79.05501	6.5
91.05486	100.0
92.05114	0.8
92.05827	2.9
93.07062	2.4
95.04974	1.1
103.05478	5.3
104.06258	3.4
105.07034	21.8
107.04954	2.2
107.08566	1.0
115.05470	2.5
117.07019	14.4
119.04952	57.6
119.08586	77.1
120.05325	2.3
120.08900	3.7
123.96434	6.0
128.06219	1.5
129.07008	4.7
132.05724	4.0
145.06470	0.9
145.10121	2.1
147.04427	57.7
147.05473	2.4
147.08051	45.7
147.11699	17.5
148.03831	1.2
148.04822	2.5
148.08409	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03940	1.4
55.01860	3.2
55.05483	1.6
58.09975	1.0
59.27436	0.8
64.92818	4.8
65.03928	3.0
69.03410	1.6
69.07059	1.1
71.60440	1.5
79.05492	7.1
83.50440	1.0
91.05481	87.7
92.05813	2.7
93.07067	2.1
95.04951	1.4
103.05464	4.3
104.06268	4.5
105.07028	22.3
106.40797	0.9
107.04932	2.0
115.05442	1.0
117.07022	17.8
119.04945	33.8
119.08579	100.0
120.05261	1.3
120.08931	3.7
123.96437	9.5
128.06238	2.3
129.07016	5.6
131.08594	1.0
132.05684	4.7
133.06470	1.5
145.10141	1.2
146.98064	2.0
147.04434	23.0
147.05525	3.6
147.08052	56.2
147.09126	2.9
147.11691	18.1
148.03876	2.5
148.04930	1.6
148.08427	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1128
Annotation	L-Lysine
Peak:m/z	Relative Intensity
55.05507	0.3
56.05033	3.6
56.96569	0.2
63.08565	0.2
67.05494	1.1
68.98912	0.2
69.82404	0.8
72.08147	0.3
74.02448	0.3
84.04506	32.5
84.08141	100.0
85.02907	0.7
85.04839	0.4
85.06543	0.6
85.07943	0.2
85.08471	3.3
91.05471	0.3
95.04972	0.2
98.35024	0.2
101.07123	0.3
102.05542	4.8
102.09195	0.3
108.33359	0.2
112.07610	0.3
113.54029	0.1
119.04943	0.3
129.10262	0.5
130.05003	8.0
130.08633	18.3
131.03410	0.2
131.05402	0.2
131.08981	0.8
147.04410	0.4
147.07642	0.2
147.11270	1.3
148.06075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.2
55.47279	0.9
64.92803	1.4
65.03932	6.1
69.38776	0.9
79.05500	5.9
85.02914	1.0
90.16811	0.9
91.05483	100.0
92.05811	1.7
93.07040	2.5
95.04976	1.1
98.20751	1.7
101.13547	0.9
103.05460	3.5
104.06237	2.8
105.04535	0.8
105.07037	17.9
107.04942	2.9
115.05423	1.5
117.07016	13.1
119.04950	67.5
119.08583	61.9
120.05274	3.2
120.08926	3.0
123.96458	4.4
128.06270	1.6
129.07014	4.2
132.05698	3.6
145.06447	1.1
147.04419	43.3
147.05473	2.1
147.08046	45.2
147.11671	9.8
148.04788	2.4
148.08472	1.5
149.61516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
55.01865	3.3
56.96555	1.4
64.92794	0.9
65.03938	7.0
67.05508	0.8
79.05479	2.4
84.04492	1.3
91.05481	100.0
92.05817	3.2
93.07052	1.6
95.04955	0.7
98.20704	1.4
103.05469	2.9
104.06262	1.5
105.07030	8.1
107.04943	1.7
115.05431	1.0
117.07018	7.0
119.04940	92.5
119.08578	40.0
120.05254	3.9
120.08923	1.3
123.96475	1.9
128.06166	0.9
129.07019	3.6
132.05722	1.9
133.06601	0.9
135.02158	0.7
139.60152	0.7
145.10097	1.1
147.04413	55.0
147.08047	28.4
147.09219	1.2
147.11646	5.3
148.04852	3.4
148.08513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66036	2.9
64.92788	19.8
65.03925	6.4
65.70235	2.9
70.34429	3.0
71.08191	4.8
71.08499	3.3
76.65192	2.8
77.01399	2.5
89.40064	3.3
91.05476	71.7
105.07026	11.9
107.06097	6.3
119.04101	5.9
119.04939	100.0
119.08595	13.1
120.05274	3.4
123.96458	40.0
126.95350	2.8
135.37483	3.1
146.98055	6.7
147.04408	73.1
147.05489	5.4
147.07959	6.4
147.11658	13.8
148.04723	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	147.0764
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.05036	3.1
56.96572	0.5
57.03440	0.4
58.06599	0.3
67.05504	0.4
69.68967	1.8
70.06583	0.7
84.04503	100.0
84.08140	22.0
85.02899	1.5
85.04314	0.5
85.04836	2.1
85.06554	0.5
85.08472	0.5
86.13239	0.3
87.04478	0.4
88.04016	0.3
88.04785	0.6
91.05474	0.8
91.49744	0.3
98.20795	0.6
101.01711	0.5
101.07132	3.3
102.02421	0.4
102.05537	4.4
103.03199	0.3
119.04922	1.0
130.05000	43.4
130.08649	3.5
130.09631	0.5
131.05331	0.8
133.03467	0.7
147.04445	0.4
147.07661	1.8
148.06023	0.5
151.04387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.6
56.96563	1.2
64.92809	1.4
65.03945	7.8
67.05530	0.9
69.62833	3.6
69.63262	1.9
79.05498	1.1
84.04514	0.9
85.74832	0.6
91.05489	94.6
92.05809	3.6
93.07089	1.0
95.04989	1.0
103.05442	1.3
105.07036	11.8
107.08615	0.8
117.07037	2.3
119.04953	100.0
119.08590	15.6
119.09444	0.7
120.05303	4.9
120.08073	0.8
120.08918	0.9
123.96495	3.9
129.06995	0.9
132.09335	0.9
147.04422	62.7
147.05334	2.4
147.08116	4.7
147.11697	9.4
148.04909	3.9
148.12013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74676	0.6
65.03944	7.0
68.34131	0.6
71.59391	1.4
91.05486	80.2
92.05807	3.1
95.24506	0.5
105.07033	1.7
119.04951	100.0
119.08595	2.0
120.05289	5.4
125.18453	0.8
147.04419	55.4
148.04773	3.1
153.00832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05507	1.9
59.26167	0.9
60.32226	0.8
64.92802	6.0
65.00167	1.0
65.03930	5.3
66.03451	2.7
69.03436	1.3
70.20229	2.8
87.04460	1.4
88.04814	1.8
91.05477	68.0
92.05834	2.3
105.04513	4.0
105.07030	15.9
106.04068	1.8
107.06078	6.5
107.08574	1.2
117.07017	2.4
119.04941	100.0
119.08580	18.0
119.09361	1.9
120.05241	4.6
123.96457	18.2
129.06973	1.7
132.09303	1.2
145.10132	1.7
146.97008	1.2
146.98056	3.2
147.04410	67.1
147.05400	3.1
147.06674	3.7
147.07925	13.2
147.11674	18.7
147.12798	1.4
148.03775	1.4
148.04811	2.3
148.08682	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	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05492	0.5
56.96563	0.9
65.03946	6.8
70.08141	2.3
79.05447	0.8
79.70551	0.6
84.04495	0.8
87.54156	0.6
91.05478	83.5
92.05823	3.3
94.70792	0.5
103.05463	0.6
103.30484	0.6
105.07043	4.3
117.07006	1.0
119.04940	100.0
119.08569	9.4
120.05255	4.7
123.96435	1.1
129.06996	0.8
132.05589	0.6
147.04408	56.1
147.08044	5.0
147.11670	4.2
148.04785	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.27741	0.6
51.37615	0.6
56.61842	0.8
60.58134	0.7
65.03953	4.2
71.03559	1.2
72.95754	0.7
79.98279	0.9
85.13349	0.6
91.05487	68.9
92.05830	1.2
105.07024	0.9
119.04953	100.0
119.08606	2.7
120.05244	3.8
122.55802	0.7
142.55377	0.7
147.04422	59.9
147.11736	1.9
148.04735	1.6
154.93794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	6.4
69.97994	3.0
86.63950	0.6
91.05482	75.6
91.51263	0.5
92.05824	3.1
98.20837	0.6
105.07024	2.3
119.04943	100.0
119.08595	2.5
120.05294	3.9
123.96421	0.9
147.04410	59.4
147.11682	2.2
148.04745	3.6
150.98849	0.5
155.16394	0.6
156.99680	0.5
159.86766	0.5
168.98891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.65813	0.6
53.03949	0.6
55.05242	0.5
55.05505	2.9
57.03436	0.6
61.02907	0.7
62.17613	0.5
64.92803	2.3
65.03938	6.1
67.05480	0.7
69.07070	1.2
71.04990	0.8
71.59179	0.5
71.59618	1.2
76.74670	0.5
79.05491	2.0
81.07042	0.7
84.04509	0.6
85.02908	2.2
91.05482	82.6
92.05807	3.2
93.07052	1.3
95.04967	0.9
103.05463	1.5
105.07030	20.6
106.07372	0.6
107.04910	0.7
107.08616	0.8
111.02135	0.7
117.07004	2.6
119.04945	100.0
119.08580	24.7
120.04554	0.7
120.05283	3.9
123.96462	5.5
129.07034	1.8
132.09375	0.7
145.10130	1.2
146.98039	0.6
147.04416	58.9
147.05432	2.7
147.08060	6.9
147.09117	1.1
147.11682	16.9
147.12782	1.2
148.03873	1.8
148.04953	2.9
148.12013	1.0
168.15852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05511	1.6
60.04499	0.5
64.92810	1.3
65.03935	5.9
69.03443	0.6
79.05499	1.0
84.04502	5.2
84.08148	1.8
85.63408	0.5
91.05478	82.4
92.04985	0.7
92.05806	3.8
93.07005	0.6
102.05515	0.6
103.05438	1.3
105.07034	9.3
106.76155	0.5
117.07006	1.3
119.04940	100.0
119.06727	3.7
119.08568	11.1
120.04453	1.0
120.05282	4.2
123.96478	2.8
129.04532	0.6
129.07028	1.1
130.04961	2.4
130.06567	0.7
145.10112	1.2
147.04411	65.4
147.05400	2.6
147.08025	4.9
147.11678	9.3
148.03845	1.6
148.04913	2.3
148.07545	0.6
148.08638	0.8
148.12120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55919	2.0
60.05617	1.8
60.08157	6.0
61.39299	2.0
62.92984	2.9
63.04708	1.8
64.92817	18.6
65.03935	7.0
70.95135	5.7
73.68269	2.0
78.03431	3.0
87.04469	100.0
88.21626	2.3
91.05483	68.9
100.04021	1.9
100.07626	4.4
105.04523	5.9
105.07035	2.2
105.95403	3.7
106.04063	3.0
106.05330	2.4
111.07978	3.2
111.24447	1.9
118.06558	8.1
119.04945	76.3
119.08585	5.5
120.05590	3.5
121.96625	5.2
122.87005	1.8
122.96988	2.8
123.95565	4.0
123.96459	59.4
124.23483	1.9
126.34313	2.1
132.44490	1.9
137.60394	1.9
146.04871	3.4
146.05984	6.4
146.07126	8.7
146.08148	4.4
146.11746	9.1
146.98033	18.6
147.04424	48.5
147.05484	3.1
147.06654	5.7
147.07935	6.0
147.09097	1.9
147.11734	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	146.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69750	0.5
58.06629	0.4
60.05654	1.5
60.08166	5.7
62.92992	2.3
64.92810	26.7
65.03933	0.8
65.46125	0.4
70.65767	1.3
71.12753	0.4
74.04795	0.4
78.03441	0.8
79.02975	1.2
79.55020	0.4
80.05045	0.5
80.25169	0.5
82.06567	0.7
82.93828	0.9
86.06062	0.6
87.04472	100.0
88.04813	2.2
90.29288	0.4
91.05486	9.8
93.04514	0.7
95.06078	0.5
100.07634	2.0
103.05562	0.5
105.04533	3.4
105.07045	1.2
105.95443	1.4
106.04051	1.5
106.05218	0.7
111.07957	1.9
118.06570	2.2
118.08662	0.6
119.04959	10.3
119.06070	2.0
119.08592	1.9
120.05603	2.0
121.96667	2.5
122.96983	1.9
123.96465	43.8
145.98584	0.6
146.04802	2.3
146.06007	4.3
146.07156	4.4
146.08156	1.0
146.11751	7.3
146.98041	13.3
147.04439	8.1
147.05525	1.7
147.06668	3.5
147.07961	4.1
147.09213	1.4
147.11716	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05653	2.2
60.08175	5.8
61.44400	1.2
62.92994	2.0
64.92808	17.4
71.59494	1.8
87.04475	100.0
87.68965	1.3
88.04794	3.6
91.05487	5.2
91.68935	1.4
100.07594	1.4
105.04522	3.9
105.95412	2.0
107.04839	1.4
111.07944	1.8
118.06564	3.9
119.04940	8.2
119.08569	3.0
120.05584	2.9
121.96647	4.8
122.96999	2.7
123.96465	65.9
146.04881	2.6
146.05997	3.2
146.07143	4.7
146.08173	1.3
146.11777	8.8
146.98051	14.0
147.04443	7.4
147.05499	1.6
147.06674	4.1
147.07826	2.1
147.11700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93531	1.0
58.06579	1.2
59.06122	2.3
59.59617	0.9
60.05354	1.5
60.05643	16.5
60.08167	5.5
62.92975	2.6
63.52876	0.8
64.92473	1.6
64.92807	24.7
65.03936	1.1
68.05018	1.2
69.74438	1.0
70.06557	1.2
70.93790	0.9
71.28384	2.0
78.03471	2.2
79.02961	3.0
82.06576	1.3
85.07652	1.5
86.06068	3.8
86.81940	1.0
87.04467	100.0
88.04795	3.2
91.05486	11.0
93.04505	1.9
100.07631	2.5
105.04506	4.3
105.07019	2.0
105.95415	2.8
106.04037	3.8
106.05291	3.7
107.04847	2.2
107.07308	1.2
107.19408	1.0
110.07157	3.8
111.05591	1.2
111.07967	6.4
118.06542	3.5
119.04947	13.0
119.06045	5.9
119.08567	1.3
120.05589	6.8
121.96644	4.1
122.97007	3.0
123.96463	59.5
132.06773	1.0
138.06581	1.2
144.98209	1.9
146.04753	3.2
146.05995	5.9
146.07118	7.3
146.08142	1.8
146.11743	7.3
146.98029	22.5
147.04456	9.5
147.05513	2.5
147.06642	9.0
147.07909	2.7
147.09062	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	146.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27444	0.9
54.54108	0.7
55.05503	1.1
55.65935	0.9
60.05645	1.4
60.08163	6.2
62.92989	1.6
64.92813	21.9
65.03935	1.4
66.37285	0.8
71.59090	0.7
71.59568	0.9
78.03455	1.5
79.02972	2.5
83.04996	0.9
86.06058	1.2
87.04472	100.0
88.03982	0.9
88.04792	2.5
91.05481	15.3
92.05032	0.7
93.04524	1.2
100.07632	4.7
105.04502	7.5
105.07023	1.9
105.95429	2.3
106.04036	2.5
106.05297	1.9
107.06057	1.5
110.07139	1.2
111.07960	1.5
118.06550	5.8
119.04947	18.6
119.05976	1.4
119.08589	2.7
120.05600	3.7
120.47004	0.7
121.96663	2.5
122.96983	2.2
123.96463	57.8
128.05002	1.1
138.06686	0.7
146.04860	1.0
146.05992	6.9
146.07129	6.5
146.08174	1.2
146.11746	8.7
146.98044	17.7
146.99110	1.5
147.04439	12.1
147.05508	1.9
147.06628	5.6
147.07953	6.6
147.09119	1.5
147.11739	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49445	3.0
60.08173	3.4
62.23670	3.6
62.92979	5.8
64.92807	46.9
65.03940	6.0
66.92741	3.1
71.24821	3.4
71.25192	6.0
79.02969	5.0
82.03363	3.7
82.06572	3.1
84.05794	3.3
87.04472	100.0
88.04817	3.0
91.05480	65.2
100.07608	6.6
105.04521	11.0
105.95451	3.8
106.03998	3.4
106.45167	2.8
111.07892	2.8
118.06563	7.1
119.04938	69.5
119.05838	5.3
120.05567	4.0
121.96600	3.2
123.96461	66.0
125.38461	2.8
131.51390	2.9
146.04730	3.2
146.05975	8.4
146.07141	14.7
146.08142	4.1
146.11760	9.1
146.98033	13.0
147.04427	45.7
147.05524	5.7
147.06586	5.2
147.07909	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	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05639	3.5
60.06635	1.2
60.08154	5.9
62.92984	2.5
64.92810	19.0
65.03935	2.9
71.25141	2.7
79.02983	1.6
82.06570	1.5
85.06705	1.2
85.42949	1.3
86.06027	1.8
87.04471	100.0
88.04802	3.7
91.05480	31.7
92.46539	1.2
100.07616	6.7
105.04528	6.7
105.07017	2.5
105.95415	1.7
106.04050	2.5
106.05300	2.0
111.07924	3.5
112.05035	1.5
118.06566	7.8
119.04950	49.7
119.05936	3.1
119.08601	2.3
120.05567	4.1
121.96666	2.3
122.96980	2.1
123.95565	2.9
123.96462	46.1
126.24454	1.3
138.06644	1.9
146.04761	4.1
146.05989	9.9
146.07141	8.5
146.08145	2.9
146.11763	7.3
146.98061	13.0
147.04408	35.2
147.05464	3.8
147.06578	7.6
147.07932	7.4
147.09012	2.1
147.11705	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	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.6
60.05644	1.1
60.08163	5.8
61.48691	0.6
64.60600	0.7
64.92479	1.0
64.92811	12.9
70.77625	1.4
70.77949	0.8
78.03464	0.8
79.02962	1.5
82.06558	1.1
86.06060	0.9
86.09740	0.8
87.04469	100.0
88.04807	2.3
91.05484	10.9
100.07625	3.6
101.12309	0.6
102.81813	0.7
105.04572	3.3
105.07034	1.4
105.95454	1.4
106.04060	2.9
110.07149	1.1
111.07952	3.9
118.06534	2.9
119.04941	12.5
119.06103	1.6
119.08582	1.8
120.05612	2.6
121.96628	1.1
122.96961	1.3
123.65886	0.7
123.96464	28.6
130.04137	0.7
146.04796	2.6
146.06006	4.7
146.07146	5.6
146.08109	1.2
146.09270	0.8
146.11761	7.5
146.98030	10.2
147.04433	9.2
147.05493	1.3
147.06676	4.6
147.07976	3.2
147.09120	0.9
149.15280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
52.75753	0.6
65.03956	1.4
67.14327	0.5
70.06587	0.8
70.87697	0.9
70.88037	1.2
72.08168	3.2
82.06572	1.5
82.60550	0.6
84.04515	2.5
84.08175	0.8
84.40022	0.6
85.02941	0.9
86.06081	1.2
88.07650	0.8
91.05489	35.7
95.04971	0.9
100.04784	2.3
100.07627	2.3
103.05437	0.7
105.70584	0.6
117.05783	6.5
118.06554	100.0
119.04950	17.1
119.06873	4.6
123.96529	1.1
128.04985	18.0
129.05385	1.0
129.06595	1.0
129.10265	0.9
130.05022	0.7
145.04982	0.6
146.06020	99.0
147.04440	12.7
147.06358	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	146.06
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
50.34551	0.4
57.03426	0.5
65.03957	0.6
71.20284	0.7
71.20625	0.6
72.08157	0.6
77.12057	0.4
84.04511	0.5
91.05480	24.4
92.05775	0.6
100.04789	0.7
100.07628	1.0
105.06989	0.8
111.76091	0.5
117.05759	4.3
118.06541	100.0
119.04948	9.4
119.06866	3.8
119.08566	0.7
129.76488	0.4
146.06012	19.7
146.07954	0.7
147.04414	5.6
147.06401	0.6
147.11687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
53.88050	0.7
55.01842	0.8
57.13904	0.7
59.16116	0.7
62.92984	3.3
65.03923	0.9
67.05509	1.2
68.87500	0.8
69.03437	0.9
69.82843	5.4
71.04988	2.4
71.69130	0.7
79.05501	1.1
85.02914	1.7
87.04486	1.5
91.05492	11.4
99.04466	7.0
100.07613	1.3
103.05487	2.4
105.07040	37.9
106.07420	0.8
109.39986	0.7
115.05447	6.5
116.06232	1.5
117.06216	1.5
117.07030	25.5
118.07339	1.4
121.96631	9.5
127.03941	1.3
128.06233	3.8
129.07039	5.3
130.07811	31.0
131.08139	1.0
134.27005	0.9
137.56398	0.7
143.08566	6.7
144.98264	1.5
145.04962	1.7
145.06496	3.5
145.10135	100.0
146.06076	1.6
146.07195	1.0
146.10504	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72305	0.7
53.03947	3.3
55.01858	1.9
57.03434	1.6
62.92992	5.4
67.05512	1.3
69.03425	2.5
69.82024	4.5
71.01350	0.6
71.05003	8.8
76.08671	0.6
80.75111	0.6
81.03430	4.2
85.02898	4.0
87.04449	0.7
89.62305	0.6
91.05490	8.6
94.31290	0.7
97.02870	2.5
98.20790	1.3
99.04459	24.1
99.05109	1.4
100.04018	0.7
100.07619	2.2
103.05453	1.0
105.07036	37.9
106.07378	1.3
115.03950	0.8
115.05462	3.6
117.07018	15.4
118.06557	3.5
118.07279	0.8
121.96644	12.6
127.03925	8.7
128.06207	2.7
129.07024	3.5
130.07785	24.6
131.08104	1.3
143.08571	7.4
144.98227	1.6
145.03862	2.0
145.04977	4.8
145.10126	100.0
146.06042	2.4
146.08122	1.6
146.10515	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01880	0.7
57.03432	0.6
61.77095	0.6
62.92991	3.6
67.05508	1.4
69.03410	0.8
69.65914	1.4
69.66322	3.9
71.04985	2.9
79.05505	0.9
81.03425	1.0
85.02906	0.9
91.05481	12.8
91.99396	0.9
92.05785	0.7
99.04451	6.9
100.07587	0.8
103.05438	2.2
105.07035	38.9
105.29319	0.7
106.07360	0.9
115.05470	4.9
116.06241	1.9
117.07021	24.3
118.06544	1.0
121.96648	7.0
127.03896	1.1
128.06223	3.3
129.07019	5.5
130.07793	25.7
131.08144	0.9
143.08575	7.3
144.98303	0.9
145.04987	1.4
145.06468	3.9
145.10127	100.0
146.06004	1.2
146.10483	5.9
153.23988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01872	1.0
57.02562	0.8
57.03425	1.3
58.71920	0.7
62.92991	12.8
66.40290	0.8
67.05500	1.2
69.03425	2.1
69.83638	2.7
69.84068	3.1
71.05003	6.0
79.05480	1.5
81.03410	2.3
85.02898	3.0
87.04459	5.0
91.05494	13.5
97.02873	1.9
98.21385	1.7
99.03840	1.4
99.04460	19.1
99.46912	1.1
100.07613	2.1
103.05470	1.9
105.07037	40.5
106.07382	2.2
115.05447	6.2
116.06232	1.6
117.07021	24.6
118.06553	3.7
121.96645	23.0
127.03921	3.9
128.06216	4.0
129.07034	6.7
130.07796	31.4
131.08121	1.1
143.08591	7.5
144.08894	1.2
144.98265	6.4
145.03947	1.4
145.05057	2.9
145.06503	3.1
145.10127	100.0
146.06020	2.7
146.08165	1.7
146.10530	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	145.0495
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03937	19.7
55.01862	10.9
59.04999	6.5
62.92987	38.2
64.14688	6.1
66.98746	6.7
67.51826	6.3
71.04997	34.6
71.58131	6.7
80.74959	6.6
81.03427	9.8
82.06579	8.2
85.02898	18.9
87.04482	13.7
90.92355	6.1
91.05473	15.9
93.63174	6.9
95.92716	6.9
97.02888	15.2
99.03834	13.0
99.04451	95.0
100.07653	7.5
105.07023	27.5
117.07011	13.1
118.06509	13.2
121.96658	100.0
127.03921	24.6
130.07803	21.0
144.98212	32.3
145.04973	11.0
145.10103	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	144.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01868	2.6
55.05511	2.0
56.96560	8.6
57.03432	6.3
57.07075	21.5
58.06593	3.8
59.06121	2.5
60.08164	53.1
60.95842	3.1
62.92990	2.4
66.23088	1.2
67.05505	47.0
69.03422	5.3
69.07054	1.7
70.06587	20.6
71.04988	10.2
72.08157	9.3
72.08512	1.6
74.06073	1.8
81.03395	3.7
83.01382	1.3
84.04505	3.8
84.08150	12.6
85.02911	8.7
85.06543	100.0
86.06049	1.5
86.06873	2.5
86.09698	14.0
97.02902	2.6
97.10233	1.4
98.06097	2.0
98.09687	5.7
98.13927	1.3
98.97585	2.2
99.04459	13.6
100.07594	2.3
102.09219	2.0
102.52441	1.5
102.96866	8.0
103.00639	2.2
104.32612	1.4
109.07604	1.2
111.04575	1.6
116.07114	1.4
116.98641	2.3
119.01919	3.8
120.01995	5.4
120.97908	7.6
121.01672	13.9
121.96643	4.9
126.07458	1.7
127.03897	3.8
127.08668	1.4
133.79660	1.2
137.02888	1.6
138.02995	1.4
138.98949	6.8
139.02730	5.1
144.03293	4.0
144.10153	4.1
144.11313	2.9
144.13837	79.9
145.04973	3.2
145.14194	2.8
162.04253	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.05511	1.7
57.03438	3.2
57.07075	22.6
58.06599	2.4
58.07388	0.7
60.08163	52.5
61.02918	1.1
61.08498	1.0
61.50060	0.5
65.03931	1.4
67.05505	41.7
68.05866	1.1
69.03439	1.4
69.07049	0.9
69.84463	2.9
69.84878	1.1
70.06588	11.0
70.06959	1.1
71.04987	1.8
72.08148	2.6
73.02905	0.8
74.07224	0.6
81.03413	1.2
84.04498	1.1
84.08146	6.3
85.02915	2.4
85.06543	100.0
86.06873	3.6
86.09705	15.2
88.02666	0.9
93.53489	0.7
97.02883	1.4
98.06062	0.9
98.09700	3.1
98.21393	1.0
99.04462	3.9
100.02563	0.6
100.07613	1.0
101.02561	1.0
102.02228	1.4
102.52485	1.0
103.00600	0.7
109.02888	0.7
111.05099	0.9
112.08688	0.8
114.03265	1.0
118.03524	0.7
119.01934	1.5
119.03635	0.7
120.01992	2.2
120.03242	1.2
121.01666	3.4
123.53587	0.7
126.07443	1.3
127.03957	0.9
138.03065	0.8
139.02734	0.8
143.03586	1.1
144.03186	1.0
144.10182	8.2
144.11368	1.5
144.13834	70.8
144.29443	0.5
145.03584	0.6
145.14252	2.9
145.16940	0.7
162.03052	1.0
162.04315	0.7
164.06255	0.5
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
53.03941	4.0
55.01866	5.0
55.05515	3.0
56.05033	4.3
56.96566	17.6
57.03436	10.7
57.04549	2.9
57.07078	23.2
58.06589	6.9
59.06118	5.4
59.07386	3.5
60.04499	2.9
60.05640	5.5
60.08162	56.4
60.95853	12.8
62.77642	2.0
62.92987	4.4
67.05505	44.9
69.03403	6.3
69.07046	5.3
70.06592	51.1
70.32980	4.3
70.33329	7.2
71.04994	19.8
72.08138	6.8
73.02919	4.4
74.74303	2.3
76.23029	2.0
81.03420	6.3
83.06100	2.9
84.04488	5.3
84.08129	12.2
85.02923	11.7
85.06544	100.0
85.07639	3.3
86.06078	3.7
86.09720	23.5
97.02835	3.7
98.06046	7.9
98.09697	27.4
98.97578	4.1
99.04456	35.9
100.07629	2.2
100.51732	2.0
101.02548	3.4
101.07121	3.7
102.00928	3.3
102.02229	4.3
102.52490	2.9
102.96873	33.7
103.00606	3.9
107.01801	2.6
109.07595	3.7
112.02845	2.1
113.58271	2.0
116.07098	2.7
116.98654	3.5
118.03515	3.3
118.24957	2.3
119.01888	10.7
120.00716	2.1
120.02032	17.6
120.02782	2.2
120.03234	2.7
120.97906	39.3
121.01675	41.7
121.96637	13.4
127.03903	7.0
127.08712	4.6
130.54129	3.1
134.99608	2.8
137.02974	2.9
138.03036	10.8
138.04138	2.5
138.98924	29.1
139.01799	3.5
139.02687	22.6
144.03340	14.0
144.04860	5.1
144.06575	5.3
144.10196	7.8
144.11333	8.3
144.13832	76.1
145.04993	3.2
145.14275	2.9
157.00006	4.6
161.02960	2.9
162.04297	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	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01863	1.7
55.05511	2.1
56.96532	0.4
57.07064	1.7
59.04991	1.6
60.04536	0.5
60.95844	1.1
62.14696	0.4
67.05479	1.0
69.03429	6.4
69.07057	0.6
69.15166	0.4
70.06589	0.4
71.01385	0.5
71.04996	11.4
71.59838	0.6
73.06554	0.9
73.23583	0.4
81.07037	0.9
81.11531	0.4
81.49488	0.4
81.53819	0.4
83.01350	0.6
83.04979	1.4
83.08638	1.0
84.04502	0.5
85.02900	2.6
85.06551	4.9
97.02900	6.1
97.06538	0.5
97.10165	1.6
98.06047	3.0
101.95027	0.7
102.05508	0.5
104.57948	0.4
107.08594	3.2
111.77700	0.4
120.97926	0.5
121.00789	0.5
125.02359	9.3
125.09617	2.0
126.05531	0.7
127.23198	0.4
128.06192	2.4
138.98965	0.6
139.01831	1.9
143.03403	100.0
143.08514	1.7
143.10730	0.7
144.03783	4.2
144.06584	2.3
144.08115	0.7
164.48125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.3
55.05519	1.9
56.05033	2.8
56.96570	26.7
57.03432	6.1
57.07077	3.9
58.06598	2.6
60.04517	2.1
60.08168	12.1
60.95849	7.7
61.02924	3.3
61.49471	1.4
67.05508	7.4
68.02649	2.7
69.03422	6.1
70.06593	14.9
70.53660	5.9
70.83160	1.6
70.98112	2.3
71.01376	1.9
71.04979	3.0
72.08133	1.9
73.02911	2.9
74.06074	1.6
77.00815	4.1
78.52972	1.9
79.51915	2.8
81.03413	4.3
81.04558	2.1
82.99866	1.5
83.00764	2.8
83.06092	3.8
84.04501	5.9
84.08141	7.5
85.02905	4.6
85.06553	20.7
85.07022	2.5
89.00871	1.9
92.01318	3.0
95.06087	3.0
95.52349	3.5
96.06881	4.0
97.02909	3.5
97.07675	8.5
98.06070	3.0
98.09689	3.6
98.20863	2.0
98.97604	10.0
99.53498	2.2
100.02483	6.3
101.00887	14.0
101.97180	2.4
102.00980	3.5
102.02396	3.7
102.96867	20.3
103.00602	1.9
103.02283	1.7
103.52077	2.4
104.52873	5.8
106.88840	1.6
109.02853	1.9
110.04788	23.9
111.00245	1.8
111.02946	3.3
111.05585	19.3
113.53194	3.9
115.02399	2.3
116.98622	6.5
117.02069	2.5
118.01106	2.0
118.03530	5.0
119.01919	82.4
120.01987	21.9
120.97913	25.0
121.01665	12.1
122.53699	3.8
125.02384	5.7
125.04044	2.2
125.07111	100.0
126.07503	2.3
128.02136	2.0
128.98639	1.9
129.03065	2.2
131.01942	3.0
134.99672	3.2
137.02956	35.6
138.03069	11.3
138.98936	17.6
139.02711	6.0
141.02751	1.8
142.03502	7.7
142.96469	1.8
143.01846	2.8
143.03424	52.2
143.08157	26.7
143.11801	3.4
143.99519	2.5
144.03299	4.8
144.10223	3.6
144.13834	16.6
146.99690	2.1
157.00009	3.8
161.02931	4.1
161.04678	5.9
162.04402	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	20.8
68.02633	7.9
69.03409	5.8
71.43958	8.9
73.02899	6.6
74.09701	4.7
75.21376	4.2
77.00901	4.2
78.52963	9.0
81.03407	11.6
85.02871	6.3
86.03698	5.6
87.23953	4.7
88.02676	9.3
93.53484	8.9
94.28742	4.9
99.53446	10.9
100.02474	17.4
101.00867	12.9
104.52686	6.4
109.02911	9.4
110.60070	4.3
113.53203	11.2
113.56577	4.1
118.03518	13.3
119.01911	100.0
122.53713	18.2
125.51403	4.1
131.01883	10.5
133.03392	4.2
134.50119	4.5
134.99638	5.5
137.00116	4.7
137.02966	58.3
141.02715	19.2
142.03490	35.8
143.03375	28.3
160.04547	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60666	3.9
55.90704	4.9
62.13137	4.6
71.00713	11.4
74.04668	4.3
101.00876	18.8
102.40661	5.3
116.08755	5.4
119.01929	100.0
120.01966	6.6
120.38680	5.6
125.05563	4.4
130.19640	4.3
137.02954	45.2
142.03526	44.1
160.04565	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59386	1.7
55.01865	3.5
56.96553	3.6
57.03436	4.0
69.03425	12.2
70.06583	3.6
70.93793	5.8
73.02912	6.7
78.52982	2.9
79.42225	1.9
79.51932	2.2
79.64612	1.8
81.03428	3.4
85.02867	3.1
88.02672	2.5
93.01883	3.7
93.53471	2.9
96.02364	2.6
97.02865	11.4
100.02503	11.5
100.07622	2.2
101.00877	13.5
102.02383	6.3
104.52641	3.0
108.03235	2.6
110.04757	5.0
111.05594	4.3
113.53189	5.5
118.03532	11.8
119.01923	92.8
120.02007	4.7
120.03373	2.7
122.53706	4.2
124.02472	3.5
125.02384	12.2
125.07116	26.7
127.33894	2.2
131.01862	5.4
137.02956	38.6
137.43806	2.4
142.03494	32.2
142.08676	4.5
143.03397	100.0
143.08162	8.0
149.03001	2.2
152.37579	2.1
160.04532	14.6
161.02910	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	143.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01869	7.4
55.02308	1.7
55.05501	4.3
56.05026	6.5
56.96577	9.8
57.03180	2.6
57.03440	24.5
58.03771	1.6
58.06601	11.2
60.04504	2.0
60.66815	1.5
60.95849	3.6
61.02937	8.9
65.52204	1.9
67.05490	1.9
68.02634	8.0
69.03049	2.1
69.03427	19.2
69.90762	4.1
69.91174	4.8
70.01622	1.5
70.06599	8.9
70.99848	2.2
71.01360	1.7
71.04977	2.4
72.08134	4.2
73.02912	14.9
77.00903	4.4
78.52961	2.6
79.03023	2.2
79.05505	1.6
79.51904	6.9
79.74336	1.5
80.01963	2.0
80.52724	2.1
81.01900	1.7
81.03428	15.4
81.04546	34.0
81.07018	1.8
81.58612	1.8
82.01437	5.2
82.02691	1.7
82.06566	3.6
83.04989	2.5
83.06145	2.1
84.04524	2.5
84.08147	7.9
84.52954	3.4
85.02913	12.9
85.06524	3.1
85.53738	4.5
86.03688	7.0
86.06055	5.7
86.09708	2.5
86.52717	3.2
87.01909	1.6
87.53416	1.6
88.02689	13.5
88.03516	2.0
88.07594	1.7
90.02394	2.1
90.52955	3.5
92.52715	3.6
93.01884	6.0
93.53470	13.5
94.52477	1.6
94.53331	2.2
94.54253	2.4
95.06097	22.0
95.53245	1.9
96.02400	2.5
96.08104	2.6
97.02852	14.9
97.06500	1.7
97.07661	2.7
98.01273	2.0
98.06052	2.9
98.09687	8.4
98.21384	3.1
98.52686	5.2
98.97569	5.9
99.04446	2.7
99.05614	1.8
99.53471	13.4
100.00101	2.6
100.02490	30.3
100.03542	3.7
100.07613	6.3
100.52407	2.1
101.00889	15.1
101.02552	4.9
101.53192	1.9
102.00974	3.1
102.02420	15.1
102.52425	3.3
102.96889	2.1
103.02362	1.6
104.52673	3.9
105.04224	1.6
107.53197	2.5
109.02887	8.9
110.53737	2.3
111.02937	8.3
113.00828	2.4
113.10762	4.2
113.53221	18.6
114.03331	2.0
114.09164	6.5
115.02422	3.3
116.98611	6.8
118.01122	4.8
118.03533	24.0
118.96735	2.5
119.01926	75.6
119.03620	2.6
120.02000	11.5
120.03384	5.2
120.97895	4.1
121.01606	1.9
122.53722	15.5
123.03912	3.1
124.02467	4.7
125.02399	15.8
125.03935	2.6
125.07113	26.8
126.09158	4.3
127.03935	3.1
128.01955	1.7
131.01920	14.6
131.54251	6.1
133.03468	5.7
134.04578	2.0
134.99614	2.2
136.02325	2.2
137.02957	21.0
138.03058	4.0
138.98897	3.2
139.02722	1.7
140.54762	4.9
141.02737	12.9
142.03526	31.2
143.01991	6.2
143.03407	100.0
143.07037	2.1
143.08154	24.7
143.11792	6.3
144.03767	2.0
144.06602	2.0
144.10196	31.4
144.11206	1.3
145.03423	2.5
149.02934	3.4
154.03520	8.4
155.01920	2.4
155.03743	2.0
156.05037	1.9
157.03467	4.0
160.04556	4.5
161.02971	14.0
161.04274	1.9
161.04689	1.5
162.03081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.1274
Annotation	(E)-2-Nonenal
Peak:m/z	Relative Intensity
53.03928	2.9
55.01866	3.2
55.05516	4.9
56.05039	6.2
56.96568	6.6
57.03428	4.3
57.07058	7.1
58.06591	3.4
59.04971	3.2
59.06121	15.9
60.04518	4.7
62.63530	2.8
65.42701	2.8
67.05495	19.2
69.07072	6.0
70.06556	3.1
71.04993	74.4
71.06099	3.1
71.08630	100.0
71.59250	4.3
72.04524	9.2
72.08993	2.9
79.05490	5.9
81.03445	4.2
81.07056	47.7
82.06586	3.4
83.06092	6.2
84.04507	6.0
84.05649	3.3
85.06550	4.5
95.01347	2.7
95.04970	8.5
95.08603	18.2
96.04457	3.5
97.02869	4.6
97.06532	5.1
97.07658	4.7
98.06089	3.5
98.07188	9.5
98.97601	4.7
99.05596	14.9
99.07494	6.2
99.08092	47.1
99.97955	3.0
100.08737	10.8
101.07130	6.4
111.09200	3.8
112.08752	6.2
113.02341	17.2
115.05466	2.9
116.98600	3.9
118.96729	3.5
123.04411	4.4
123.08144	4.5
123.11736	4.5
124.05127	4.2
125.03466	3.5
125.07154	3.0
126.03117	5.2
134.99655	4.5
136.00006	3.2
136.02699	2.7
141.01846	24.2
141.05499	10.4
141.06889	20.5
141.11531	5.1
141.12733	63.3
142.05005	4.6
142.06050	3.1
142.07771	6.8
142.08742	6.1
142.09695	5.5
152.23334	3.0
157.77997	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	141.1275
Annotation	(Z)-3-Nonenal
Peak:m/z	Relative Intensity
55.01875	2.3
55.05512	11.6
55.09332	2.1
56.05043	4.2
56.96574	4.2
57.03431	2.9
57.07080	12.1
59.06119	10.0
60.04517	2.5
67.05508	20.0
69.03421	3.1
70.06574	3.3
71.04997	63.6
71.08633	100.0
71.58814	2.6
72.04522	7.0
72.08984	4.6
79.05499	5.4
81.03442	3.6
81.07056	35.2
81.68674	2.4
82.06599	2.9
83.06116	5.5
83.08636	5.4
85.06551	3.2
86.06040	3.4
95.04977	5.1
95.08618	16.1
96.04521	4.5
97.02923	2.5
97.06524	4.8
97.10166	6.0
98.07200	4.7
99.05582	13.7
99.07483	3.8
99.08102	43.6
100.05159	2.5
100.08756	13.6
109.02872	4.2
112.08709	2.2
113.02383	12.5
113.05981	2.8
114.09139	2.4
118.96779	6.1
123.04426	4.8
124.03985	2.6
124.05875	2.6
125.03477	4.5
125.05955	3.2
125.09573	3.2
134.99690	5.2
136.00014	3.4
141.01859	21.0
141.03809	2.6
141.05470	7.0
141.06960	13.4
141.09108	3.8
141.11563	3.0
141.12743	55.6
142.04999	5.6
142.06099	4.7
142.07730	4.4
142.08670	5.5
142.09703	4.4
142.12285	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	141.1273
Annotation	(E)-2-Nonenal
Peak:m/z	Relative Intensity
55.01873	3.8
55.05494	8.7
56.05015	2.8
56.96541	7.1
57.03419	2.1
57.07054	5.4
59.06105	6.4
60.04492	2.8
67.05504	17.4
69.03411	2.4
69.07056	2.9
69.61506	14.3
70.06597	2.7
71.04993	64.3
71.08630	100.0
71.61418	1.8
72.04494	3.2
72.05350	2.2
79.05483	3.6
81.03384	4.3
81.07054	29.1
83.06081	3.3
85.02896	3.3
85.06520	5.4
94.24982	1.9
95.01328	5.4
95.04949	6.1
95.06071	2.4
95.08592	16.0
96.04457	3.0
97.02872	3.5
97.06496	3.4
98.07179	6.1
98.20803	2.5
98.97589	3.3
99.05563	7.9
99.07570	2.7
99.08092	46.3
100.07658	2.3
100.08770	9.3
101.07154	2.7
111.00808	2.8
111.09170	3.0
112.08704	1.9
113.02355	13.4
115.05509	1.9
116.98646	4.9
117.98991	2.4
118.96741	6.0
123.04424	4.2
123.08059	4.8
123.11707	2.8
124.03937	3.9
124.05933	2.6
124.24479	2.2
134.99622	7.4
135.99991	5.4
141.01826	24.9
141.05534	9.9
141.06924	8.8
141.09163	3.9
141.10190	1.9
141.12744	54.7
142.04990	6.3
142.06042	3.2
142.07660	3.6
142.08626	7.1
142.12181	2.7
142.13191	2.2
153.00658	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	0.9
54.98632	0.8
56.05025	3.8
56.96301	1.6
56.96567	27.7
57.03429	1.1
62.01694	0.6
68.05034	1.0
69.91183	1.7
69.91600	3.1
70.06596	1.1
71.95261	4.4
72.62594	0.7
74.09691	0.7
81.04544	1.6
82.06538	0.8
83.06098	1.8
84.04501	1.1
93.08464	0.8
95.06091	2.2
96.05613	1.6
98.07183	1.4
98.21461	0.9
98.97583	94.6
99.05559	2.2
99.97910	0.9
111.04420	0.9
113.07133	1.8
116.97243	2.5
116.98620	100.0
117.98953	0.9
122.07179	0.8
123.05575	2.2
126.02464	1.2
128.02399	0.9
134.99660	68.8
140.00229	2.6
140.03461	1.7
140.07028	1.7
140.08185	5.9
141.04799	2.1
141.42049	0.7
153.00716	12.3
158.01259	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	140.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.1
57.41359	0.7
69.92683	1.8
69.93094	3.6
73.17184	0.7
74.09719	84.4
75.10040	1.2
80.99539	1.2
98.20808	1.0
98.97588	7.3
114.08930	11.9
116.98609	8.7
128.54007	0.8
132.22743	0.8
134.99683	6.2
140.06824	100.0
141.07143	2.2
153.00723	0.9
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
53.10044	0.6
56.05032	1.5
56.96566	30.9
68.05043	0.8
68.19151	0.6
71.52126	1.8
71.95276	4.2
72.11443	0.7
72.21329	0.6
80.24557	0.6
81.04527	3.2
83.06100	1.0
98.07174	1.2
98.97585	94.1
99.05556	1.4
100.02493	0.7
116.98620	100.0
117.98955	0.9
119.01815	0.8
122.07148	1.3
123.05540	0.8
126.02463	3.1
134.99658	66.1
135.99950	0.8
140.00201	2.2
140.08192	3.3
141.04810	2.2
153.00710	12.7
158.01244	4.1
159.46786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03479	6.3
56.03763	1.9
56.04785	1.4
56.05039	21.0
56.96299	2.0
56.96567	33.7
57.04564	2.5
57.93559	3.7
58.02940	2.2
58.06567	1.5
59.06115	5.0
60.04508	2.3
67.02985	1.3
68.05013	3.4
69.04551	2.0
70.06591	2.6
71.06107	4.1
71.11743	3.6
71.95254	4.9
72.04503	3.4
72.08141	1.8
80.05011	1.3
81.04537	10.6
82.02940	4.5
82.05319	2.0
82.06593	1.2
83.06115	11.0
84.04516	6.6
85.07664	3.2
93.23772	1.1
94.06579	2.3
95.04930	1.5
95.06087	12.8
96.04487	3.7
96.05627	9.1
96.51479	1.1
97.06384	2.8
97.07658	2.3
98.07181	13.5
98.97585	89.0
99.05582	11.5
99.97934	1.5
100.06355	3.1
103.09065	1.1
111.04431	1.5
111.09089	1.1
112.07583	1.2
112.08704	1.3
113.02400	1.8
113.07137	10.1
113.84462	1.2
116.05759	1.8
116.97224	10.0
116.98618	100.0
117.99004	2.0
118.03522	1.4
122.06152	1.7
122.07140	9.8
123.05553	13.5
123.09235	1.7
129.98291	1.2
131.52356	1.1
134.99657	84.4
135.03128	1.4
136.00078	1.5
140.00192	3.5
140.03423	2.4
140.07166	1.9
140.08183	35.6
140.11766	2.4
141.01802	3.6
141.06622	2.9
153.00713	17.1
158.01204	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	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03946	1.4
54.03468	1.7
55.05512	5.8
56.03761	0.9
56.05033	1.0
57.07076	12.2
58.61208	0.7
65.03928	0.9
67.05505	20.5
68.05039	1.0
69.04540	1.4
69.06715	1.0
69.07067	9.2
70.49598	2.9
72.04507	1.1
79.05487	6.4
79.59101	0.7
81.04539	4.0
81.07060	68.0
82.06586	1.6
82.07404	3.0
83.06101	2.3
86.94196	0.7
87.97245	0.8
91.05500	2.4
93.07047	6.2
94.04221	1.7
95.04984	1.2
95.06112	1.9
95.08610	100.0
96.05627	1.4
96.08957	3.5
97.06398	4.1
97.07672	1.3
98.04791	1.4
107.08550	0.7
109.06513	2.1
109.10158	6.4
110.06069	0.8
110.07195	4.0
111.05561	2.4
117.15678	0.7
120.05613	1.6
121.07654	0.7
122.03667	2.8
137.02458	1.4
137.05963	6.5
137.07202	1.1
137.08162	5.4
137.09692	1.6
137.10658	1.0
137.13257	16.5
138.05531	1.8
138.06619	4.9
138.09203	1.6
138.10280	2.6
138.13612	1.0
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
51.01969	0.7
51.87517	0.8
53.65351	0.8
55.05509	3.0
57.07076	10.1
67.05505	17.9
69.07063	11.0
71.04309	1.4
71.04637	1.6
78.39349	0.8
79.05490	7.3
81.03454	0.8
81.07055	72.2
82.07396	2.4
91.05510	0.8
91.35769	0.8
93.07056	4.4
95.08605	100.0
96.08934	3.1
109.10152	6.9
135.68018	0.8
137.05956	2.4
137.13249	18.3
138.13620	1.3
138.21902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
52.37267	0.8
55.05497	3.9
57.07080	11.8
57.16109	0.9
60.76592	0.9
67.05177	1.3
67.05509	21.4
69.07072	8.5
75.04218	0.9
79.05482	6.4
81.07062	73.3
82.07391	2.3
93.07027	4.0
95.08615	100.0
96.08943	4.1
99.15141	1.3
109.09542	1.1
109.10169	9.0
122.04517	1.0
122.07301	1.5
137.05986	3.7
137.09641	3.0
137.13263	20.2
144.49533	1.0
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	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05514	4.2
57.06815	1.1
57.07077	12.0
65.03946	0.7
67.05507	19.5
68.05882	0.7
69.07068	8.2
70.33746	3.2
76.75204	0.7
79.05486	6.8
81.07059	71.4
82.07402	2.3
93.07043	3.6
95.08610	100.0
96.08933	3.5
109.10173	6.5
120.47028	0.8
124.58376	0.7
137.13258	21.8
137.14241	1.5
138.13615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03954	1.6
54.34225	1.0
55.05507	5.5
57.07076	10.9
62.33580	0.9
67.05506	19.4
69.07062	6.7
71.03681	2.6
79.05491	5.8
81.07058	90.7
82.07388	3.1
91.05467	1.2
93.07028	5.1
95.08607	100.0
96.08943	2.8
109.10151	8.3
137.05962	2.1
137.13254	20.1
138.05469	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
50.77245	1.0
53.03935	1.1
55.05510	4.8
57.07083	14.0
67.05507	17.7
69.07064	7.1
79.05498	7.1
81.07062	86.2
82.07404	2.7
91.05505	1.8
93.07062	4.9
94.04214	2.6
95.08611	100.0
96.08945	4.4
98.20737	2.4
100.87273	0.8
107.89322	1.0
109.10161	8.7
117.40693	1.1
122.03661	3.9
137.05991	8.8
137.13254	24.2
138.13608	1.1
144.14200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05516	4.4
57.06829	1.0
57.07080	12.8
59.25006	0.7
59.75730	0.8
59.87659	0.8
67.05173	1.3
67.05511	20.6
69.07071	10.0
69.37151	8.5
75.77631	0.9
79.05505	4.7
81.07062	73.3
82.07391	1.1
93.07041	3.8
95.08611	100.0
96.08954	2.4
98.21519	1.7
107.08588	0.9
109.10175	7.6
110.10522	0.9
116.47712	0.9
133.13161	0.8
137.13266	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
55.01845	1.1
57.07080	1.4
65.35188	0.9
66.04714	3.4
67.05486	3.0
68.18617	0.9
69.07081	1.5
70.06864	4.1
70.96338	1.1
71.78677	0.9
79.05487	3.4
81.07050	12.5
91.05470	2.8
94.04188	23.6
95.04950	1.1
95.08612	11.4
106.25338	0.9
107.04966	1.0
122.03651	40.7
137.05974	100.0
137.13240	3.0
138.06337	3.5
155.00067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.6
55.06759	1.8
57.07072	8.0
65.03959	2.7
67.05513	54.2
69.07074	9.2
71.58999	2.7
71.59375	3.2
79.05505	9.7
79.84464	1.8
81.07071	75.7
91.05489	9.3
93.02910	2.0
93.07058	9.6
94.04227	2.4
95.04993	3.9
95.08621	100.0
96.08965	2.0
96.91221	1.8
100.07140	1.8
107.08596	2.3
109.06503	5.2
109.10168	27.3
119.04926	2.1
122.03645	3.9
122.07309	3.3
137.02432	6.3
137.05965	13.8
137.09654	17.1
137.13290	18.6
138.05516	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05503	4.8
57.07074	12.5
67.05502	20.6
69.07065	10.1
72.07155	0.7
79.05496	6.3
81.07056	68.0
82.07409	3.0
89.35029	0.7
93.07034	5.1
95.08604	100.0
96.08942	5.0
108.09384	0.9
109.10155	7.2
117.74599	0.8
137.05980	1.3
137.13248	20.9
137.14230	1.4
138.13628	1.6
143.63585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
54.03467	3.5
55.01865	2.3
55.05500	3.6
57.07068	4.2
58.02965	65.3
63.82964	1.3
65.03941	1.6
66.04709	1.4
67.05511	13.9
68.05032	16.2
69.07076	6.0
69.27165	13.7
76.04008	4.8
79.05495	15.5
80.05019	2.4
80.05822	2.4
80.12639	1.0
81.03432	1.5
81.04544	4.4
81.07061	64.4
83.06095	1.9
91.05483	41.5
92.05027	1.1
92.05813	4.0
92.06314	1.3
93.05812	2.0
93.07038	8.5
94.04198	7.7
94.07402	5.2
95.04962	4.5
95.06087	8.6
95.08613	57.8
96.06866	12.6
97.06404	7.2
98.21533	1.8
104.06213	2.2
105.07041	1.6
107.05021	1.7
107.06061	1.3
107.08607	3.1
108.08210	2.2
108.08933	8.2
109.01088	3.0
109.06516	4.6
109.07658	13.3
109.10160	3.1
110.07151	6.0
117.05772	3.7
118.06551	34.7
119.03560	2.2
119.04966	2.4
119.05997	2.9
119.07331	100.0
120.07663	4.9
122.03667	11.8
122.07314	2.1
136.02173	64.2
136.03937	3.5
136.05162	2.3
136.06200	42.3
136.07584	76.1
136.08675	14.5
136.11125	2.0
136.12054	4.2
137.02451	4.8
137.03563	1.4
137.04791	2.3
137.05975	43.9
137.08105	7.6
137.09601	5.8
137.13258	9.2
146.12257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03941	1.6
54.03463	1.9
55.01862	0.9
55.05505	1.5
56.05024	0.6
56.96549	1.9
57.07066	2.6
58.02951	0.7
60.04530	0.6
65.03932	1.8
67.02984	1.1
67.05504	6.1
68.05038	6.0
69.04543	1.0
69.07055	1.9
70.06565	1.0
71.08601	0.5
71.58716	0.7
79.05495	4.7
80.05025	2.5
80.05796	0.9
81.03410	1.3
81.04541	5.8
81.07058	26.2
82.06570	1.2
83.06094	0.8
83.26328	0.6
87.05582	0.5
88.05882	0.6
91.05482	66.8
92.04959	0.5
92.05818	3.1
93.05760	1.0
93.07046	5.7
94.04114	3.5
94.06568	1.4
94.07363	1.6
94.96544	0.6
95.04980	3.1
95.06093	4.8
95.08607	25.3
96.05605	1.4
96.06885	6.5
97.06389	2.7
107.04954	3.3
107.08595	1.2
108.04472	1.3
108.05308	0.8
108.08170	1.3
108.08919	2.1
109.01108	3.1
109.02880	0.6
109.06529	6.0
109.07630	8.2
109.10150	2.2
110.06035	0.6
110.07188	4.3
115.04264	0.6
118.06548	4.0
119.03619	5.9
119.04937	19.5
119.06017	1.5
120.05306	0.9
122.03664	2.7
122.07237	0.8
131.01924	0.6
136.02167	61.5
136.03937	3.9
136.06189	100.0
136.07565	26.8
136.08679	10.0
136.12021	0.7
137.02475	3.7
137.04585	5.4
137.05974	7.6
137.07059	0.7
137.08130	5.0
137.09624	1.7
137.10709	1.2
137.13240	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	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77035	0.3
50.80648	0.3
54.03473	0.3
56.96546	0.3
68.05006	0.3
71.02982	0.7
81.04544	0.3
81.07058	0.8
91.05493	0.4
94.04062	2.5
95.08627	0.7
95.54352	0.3
109.05159	0.4
109.07689	0.4
119.03564	5.8
136.02194	3.6
136.06200	100.0
137.02409	0.4
137.04616	4.6
137.06656	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90379	0.2
56.96548	0.7
57.03418	0.3
58.06613	1.1
59.07370	0.6
59.59063	0.2
66.57996	0.2
67.02975	0.2
71.02993	0.5
78.52958	0.3
81.07043	0.8
91.05482	1.0
92.01257	0.3
94.04044	2.3
95.08621	0.4
100.02480	0.4
104.01318	0.4
109.05129	0.3
109.07663	0.3
112.05074	0.2
113.00851	0.3
119.01920	1.2
119.03555	5.8
119.04895	0.4
120.01960	0.2
131.01895	3.2
136.02190	2.6
136.06186	100.0
137.04594	7.7
137.06613	2.5
138.15065	0.2
146.06499	0.5
149.02962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
67.02972	0.4
70.33608	0.4
70.33978	0.4
92.02496	0.5
94.04063	3.1
109.05109	0.5
112.05078	0.3
119.03553	8.6
136.06194	100.0
137.04599	7.3
137.06673	1.0
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
50.80305	1.7
53.03947	2.5
53.69392	1.8
55.05502	7.3
61.34632	1.9
71.06643	4.4
73.57529	1.7
79.05506	13.4
81.07066	2.4
85.69552	1.9
86.88210	2.0
91.05487	33.8
93.07056	45.4
95.05000	3.4
103.08331	1.7
105.07042	18.7
107.08605	100.0
108.08942	3.4
109.06541	9.9
109.07169	2.0
111.53574	1.7
117.07072	2.5
119.06093	2.4
119.08582	15.6
120.09364	6.0
135.11710	42.3
136.02202	9.7
136.06189	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12484	0.9
53.03941	4.4
53.11616	0.9
55.05519	11.0
57.07083	1.2
59.63945	0.9
67.05497	2.2
68.05045	1.2
69.07070	3.0
71.29880	1.2
71.52269	2.0
79.05493	17.9
81.07066	2.2
82.06548	1.0
91.05491	34.3
93.07050	55.1
94.07359	1.5
95.04974	6.9
95.08575	1.2
105.07037	15.0
107.04971	3.2
107.08601	100.0
108.08940	2.9
109.06522	7.3
117.07017	2.3
119.06097	2.0
119.08586	9.1
120.09374	3.0
133.10170	1.4
135.04437	3.8
135.08069	8.9
135.11700	41.7
136.02159	12.0
136.06212	4.4
136.07619	1.2
136.08701	2.6
136.12057	1.8
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
53.03951	5.8
53.23929	0.9
55.01859	3.3
55.05516	8.9
57.07068	2.2
65.03921	1.9
67.05505	8.0
68.05018	1.6
69.03423	1.1
69.07066	4.6
69.79842	0.8
70.04742	3.3
79.05493	37.7
80.05011	1.1
80.05811	1.6
81.03409	1.1
81.07066	7.1
89.03909	8.7
91.05483	35.9
92.05801	1.6
93.07045	67.2
94.07343	2.0
95.04960	9.0
105.04527	1.6
105.07030	17.1
106.06628	0.9
107.04959	11.4
107.06916	3.9
107.08596	100.0
108.08923	3.5
109.01100	2.4
109.06526	7.2
115.05437	3.0
117.03365	4.5
117.07016	5.3
118.06542	1.1
119.03533	1.5
119.06089	2.5
119.08586	9.5
120.09365	3.1
135.04440	23.2
135.05473	1.4
135.06432	7.3
135.08049	17.0
135.09068	0.9
135.11693	41.2
136.02170	64.4
136.03893	2.6
136.05119	1.2
136.06186	22.5
136.07555	5.2
136.08560	2.2
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
52.86967	0.9
53.03944	2.2
54.21921	0.9
55.05507	7.9
57.07048	1.2
63.44698	1.1
65.03926	1.5
67.05487	2.7
69.07056	2.8
70.18671	1.3
71.59839	1.7
79.05489	19.4
81.07046	2.5
91.05476	34.6
93.07038	40.8
93.07629	2.0
95.04980	6.3
105.07030	18.0
107.04958	3.0
107.08588	100.0
108.08920	3.2
109.01106	1.4
109.06502	8.3
115.05453	2.9
117.07027	2.8
119.06058	1.5
119.08591	12.3
120.09351	3.1
135.04408	3.4
135.05437	1.1
135.08044	13.0
135.11684	38.8
136.02167	25.7
136.06174	11.6
136.07555	2.3
136.12083	1.8
138.33388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.05300	0.8
55.05517	8.9
56.43406	0.8
65.03933	2.1
66.54841	0.9
67.05491	3.7
68.05042	4.6
68.82665	1.0
69.07065	2.6
71.00396	2.7
79.05497	21.9
81.07047	3.3
83.06044	0.9
87.05579	1.4
91.05484	29.0
92.05802	1.0
93.07048	58.8
94.07361	1.9
95.04977	7.6
95.06097	2.6
96.06867	3.7
103.05451	0.9
105.07030	15.4
107.04956	5.6
107.08598	100.0
108.08919	2.4
109.01096	1.0
109.06509	5.5
109.07628	3.9
115.05438	2.0
117.07000	2.3
119.06061	2.9
119.08596	8.7
120.09360	1.8
135.04459	6.8
135.05479	1.8
135.06602	1.6
135.08073	8.5
135.11694	36.9
136.02161	25.7
136.03816	1.5
136.05214	1.7
136.06175	9.1
136.07549	4.4
136.08690	3.7
136.12062	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.46850	0.9
53.03943	3.1
55.01863	1.2
55.05508	7.6
56.97244	1.0
61.60740	0.9
65.03945	2.2
67.05496	4.1
69.07064	3.4
70.91143	2.2
79.05497	23.5
81.07047	3.2
88.38716	1.0
89.03917	1.4
91.05482	36.7
92.05815	1.5
93.07045	44.6
94.07355	1.1
95.04979	7.4
105.07040	18.0
107.04958	4.4
107.08598	100.0
108.08924	2.7
109.01079	1.8
109.06538	7.1
115.05448	1.8
117.07043	2.7
119.06072	3.3
119.08580	9.8
120.09395	2.6
135.04430	5.7
135.05357	1.2
135.08064	16.7
135.10680	2.1
135.11699	37.0
136.02164	33.0
136.03828	1.6
136.05147	1.4
136.06187	16.3
136.07524	2.3
136.12050	1.7
139.12396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02382	0.9
53.03941	5.3
54.03468	1.1
55.01861	2.7
55.05508	7.2
55.14300	0.8
55.33008	0.9
56.96555	1.4
57.07067	1.1
58.77718	0.9
59.81837	0.9
60.04534	1.4
65.03933	2.8
67.02967	0.8
67.05502	3.8
68.05034	8.7
69.03424	1.8
69.07060	2.6
69.93291	5.0
74.42716	0.8
77.36108	1.0
79.05495	28.4
80.05005	1.0
80.05804	1.2
81.07054	3.3
85.88631	0.9
87.05611	4.5
89.03928	0.9
91.05479	43.4
93.07047	51.9
94.06583	0.9
94.07360	1.4
95.04973	10.3
95.06103	5.1
95.08633	1.1
96.06884	6.3
103.05476	1.6
103.94725	0.9
104.06290	1.3
105.04477	1.5
105.07036	21.3
107.04969	8.8
107.08598	100.0
108.08165	2.0
108.08926	4.9
109.01096	3.6
109.06543	8.3
109.07641	7.2
115.05463	4.7
117.07043	4.4
119.03561	1.9
119.06057	4.0
119.08571	14.0
120.09376	3.0
121.01601	1.1
133.10188	1.2
135.04414	8.9
135.05472	2.1
135.06650	3.2
135.08054	19.9
135.09111	1.4
135.11694	38.9
136.02171	59.6
136.03941	2.9
136.05165	2.2
136.06183	33.2
136.07564	4.3
136.08623	9.8
136.12077	1.9
137.04636	1.0
137.09605	1.2
151.18593	0.9
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
53.03949	4.1
54.33978	1.6
55.05508	16.0
58.65871	2.2
65.03953	2.2
67.05505	16.9
69.07065	8.6
70.74380	4.4
77.21547	1.8
79.05064	3.2
79.05498	51.2
81.07045	16.9
91.05481	41.1
93.07047	100.0
94.07350	2.8
95.04990	8.6
103.96930	1.9
104.38190	1.6
105.07045	15.1
107.04931	5.1
107.08599	97.3
108.08916	4.1
109.06514	7.3
115.05466	6.5
117.07014	6.8
119.08589	7.3
135.04485	3.1
135.08055	22.3
135.11693	74.5
136.02174	41.8
136.03885	2.4
136.05208	1.8
136.06192	11.3
136.12006	2.5
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	Unknow
Peak:m/z	Relative Intensity
52.56185	1.3
53.03955	2.7
55.05505	8.1
65.03941	2.5
69.07048	2.8
71.49895	2.1
75.59268	1.3
79.05489	13.9
81.07067	2.2
84.76427	1.7
91.04935	1.1
91.05476	26.7
92.05799	1.7
93.06475	2.9
93.07043	43.8
95.04944	4.4
99.48201	1.6
105.07038	16.8
106.84764	1.4
107.04967	1.7
107.08597	100.0
108.08913	4.5
109.06494	8.3
119.06071	2.3
119.08585	14.4
120.09391	2.8
128.06174	1.5
135.08067	4.5
135.11702	41.2
136.02153	20.8
136.03845	2.0
136.05196	1.6
136.06145	10.3
136.12070	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.00290	0.9
53.03943	4.5
53.04160	0.9
55.05512	11.7
57.07066	2.1
65.03930	1.7
67.05503	2.7
68.05006	1.8
69.07072	6.0
69.92178	4.4
79.05489	25.6
79.64806	0.9
81.03406	1.0
81.07057	4.3
89.03925	1.8
91.05483	39.8
93.07043	67.1
94.07358	2.4
94.07880	1.4
95.04960	8.3
97.80374	1.0
105.04496	2.9
105.07029	17.5
107.04964	3.0
107.08595	100.0
108.08907	3.0
109.06509	8.0
117.07007	2.5
119.08582	9.2
120.09354	3.4
133.10094	1.2
135.04448	4.9
135.05331	0.9
135.08061	2.0
135.11690	35.4
136.02132	7.8
136.06187	3.0
136.12090	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.16854	1.6
53.03948	3.6
55.05506	17.0
67.05224	1.8
67.05517	16.5
69.07061	7.4
70.25091	8.1
71.21006	1.7
79.05491	50.4
81.07068	15.9
82.07384	2.2
84.57557	1.7
91.05480	33.5
93.07043	100.0
94.07353	3.8
95.04996	8.8
105.07036	8.6
107.08598	89.6
108.08939	3.4
109.06538	5.2
117.07018	2.5
119.08596	9.0
120.06717	1.6
121.48430	1.6
124.03409	1.7
135.08060	4.1
135.11700	70.4
136.02176	19.9
136.06166	9.3
136.12012	3.2
142.49901	1.7
149.02687	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03943	5.0
55.05509	8.2
59.97400	1.1
65.03923	2.0
67.05472	1.8
68.05021	2.0
69.07059	2.7
71.33002	2.7
75.05598	2.1
79.05497	14.9
81.07063	3.2
87.05608	6.5
91.05482	35.2
93.07042	55.3
95.04967	7.9
95.06096	1.1
95.08646	1.0
96.06905	1.6
105.04516	1.6
105.07034	17.6
107.04950	4.3
107.08592	100.0
108.08942	3.0
108.10386	0.9
109.06524	8.5
109.07639	1.9
110.41245	1.0
119.06047	3.3
119.08561	8.7
120.09348	3.2
128.97952	1.1
133.10178	1.3
135.04428	3.8
135.06630	1.0
135.08058	2.5
135.11694	40.9
136.02173	17.5
136.03905	1.3
136.06178	11.1
136.08684	2.9
136.11996	1.5
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	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.05503	8.0
62.23766	1.5
63.04384	1.5
63.35441	1.4
65.04436	1.3
67.05503	2.7
67.40870	1.3
67.72777	1.3
69.07070	3.4
70.85963	2.3
70.86301	2.5
72.56489	1.4
77.03941	1.7
79.05500	18.4
81.07078	3.5
81.69147	1.3
87.05586	3.4
90.25984	1.7
91.05486	38.6
93.07045	53.9
95.04949	10.5
95.08643	1.7
105.07031	18.1
107.04970	6.1
107.08598	100.0
108.08923	3.2
109.06512	6.3
109.60136	1.5
119.06097	2.7
119.08608	7.9
120.09370	3.6
135.04443	3.8
135.08029	3.1
135.11691	35.8
136.02173	16.2
136.06175	13.8
136.08679	2.2
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
53.03943	2.6
55.05503	6.3
61.92799	1.3
65.03937	2.1
69.07068	2.1
71.37771	2.2
79.05498	12.0
91.05486	28.1
93.07043	36.8
95.04949	3.1
105.07037	14.8
107.08596	100.0
108.08916	2.7
109.06530	7.0
111.58662	1.4
117.06985	1.9
119.08601	12.0
120.09378	4.2
129.36987	1.5
131.65366	1.5
135.11699	45.4
136.02165	3.3
152.99380	1.5
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	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05522	7.0
57.07072	2.1
67.05517	2.0
68.39853	1.3
69.07094	3.0
71.04642	3.7
79.05486	10.8
81.07053	1.2
88.22993	1.2
91.05479	28.4
91.06018	2.2
92.05817	1.3
93.07044	40.5
95.04965	6.4
105.04484	1.7
105.07026	18.6
107.04939	1.4
107.08596	100.0
108.08937	3.7
109.06541	7.0
117.07033	2.5
118.06411	1.2
119.06034	1.7
119.08589	14.0
120.09367	2.8
130.14542	1.3
133.10150	2.7
135.11696	40.2
136.02177	5.2
136.06158	3.0
136.12076	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.05512	10.4
58.94594	1.3
62.90888	1.7
67.05495	2.9
69.07056	4.7
70.48004	5.3
75.81442	1.3
79.05489	22.8
81.07052	3.6
91.05483	34.3
92.05782	1.4
93.07045	58.0
94.07359	1.8
95.04960	6.3
105.04515	1.4
105.07038	14.9
107.04941	2.9
107.08596	100.0
108.08919	3.6
109.06503	6.1
117.07020	2.8
119.06035	2.3
119.08569	15.0
120.09402	3.1
121.40448	1.4
135.04379	3.4
135.08044	4.0
135.10674	3.2
135.11690	50.8
136.02159	24.9
136.03857	2.1
136.06181	8.9
136.07474	1.9
136.12083	1.8
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	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.05505	7.7
65.03926	1.4
67.05480	3.4
69.07060	2.5
69.55975	3.0
69.56387	6.8
77.03886	1.4
79.05488	15.6
81.07066	3.1
81.57054	1.0
91.05474	29.1
93.07041	44.2
95.04974	5.7
105.07020	16.5
107.04995	1.4
107.08592	100.0
108.08939	3.7
109.06510	7.1
115.05518	1.3
119.06091	2.3
119.08576	12.6
120.09364	5.2
135.04341	1.6
135.08076	4.6
135.11688	43.0
136.02150	11.5
136.05272	1.1
136.06128	6.9
138.31377	1.1
148.81709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	4.1
55.05512	6.0
57.13315	1.0
64.91026	1.0
65.03947	1.6
67.05499	2.3
68.05051	1.2
69.03429	1.6
69.07063	2.3
69.85107	4.0
69.85513	1.5
77.03848	1.0
77.49536	1.0
79.05057	1.5
79.05494	18.7
81.07057	3.4
87.24480	1.0
89.03897	1.6
91.05484	27.6
93.07046	50.2
95.04979	6.5
105.04518	1.9
105.07041	12.4
105.07706	1.8
107.04932	3.1
107.08597	100.0
108.08903	3.0
109.06528	6.1
117.03385	1.0
117.07074	1.0
119.06082	3.0
119.08569	9.3
120.09358	1.8
135.04410	7.6
135.08064	9.7
135.11694	34.0
136.02159	19.7
136.03821	1.5
136.05112	1.4
136.06174	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03933	2.2
55.05512	9.5
58.12881	1.2
65.03950	1.5
67.05497	2.6
69.07062	4.0
70.96701	1.8
70.97044	2.7
79.05492	21.6
81.07040	3.0
91.05481	31.7
93.07044	57.6
93.07633	2.8
94.07353	1.6
95.04961	6.3
97.92067	1.2
98.21510	1.2
105.07033	17.2
107.04948	1.9
107.08598	100.0
107.61646	1.2
108.08945	3.9
109.06520	7.3
117.07037	2.2
117.81110	1.4
119.08597	14.6
120.09365	3.4
133.10072	1.7
135.04477	2.0
135.08017	5.0
135.11690	50.9
136.02161	8.6
136.06181	3.7
136.12053	2.4
137.09583	1.5
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
53.03936	3.7
55.05508	9.3
65.03929	1.9
67.05491	3.4
68.05015	1.8
69.07053	4.2
69.41536	8.1
69.41947	2.4
79.05052	1.6
79.05492	19.7
81.07047	4.3
89.03902	2.4
91.05482	26.9
93.07043	69.8
94.07890	1.0
95.04980	7.5
95.06075	1.3
95.08590	1.5
96.06907	1.0
98.20655	1.8
105.04513	1.6
105.07029	12.7
107.04964	2.4
107.08594	100.0
108.08900	3.7
109.06535	5.7
110.88345	1.2
117.03310	1.2
117.06992	1.6
119.06005	1.4
119.08577	8.7
120.09364	1.6
125.43655	1.1
135.04422	5.3
135.08028	2.3
135.11688	36.2
136.02208	4.9
136.06197	2.5
136.08647	2.2
136.12050	1.2
150.19185	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03958	3.1
54.46055	0.6
55.05516	7.8
57.07075	1.3
65.03935	1.4
67.05508	1.8
68.05041	1.5
69.07059	3.1
69.46331	5.1
72.43279	0.7
77.03957	0.7
79.05057	1.3
79.05496	16.8
81.07053	2.6
87.05589	0.7
91.05482	34.8
92.05799	1.1
93.07047	56.6
94.07370	1.3
94.07894	0.8
95.04989	6.4
95.06125	1.0
95.08601	1.1
96.06857	1.4
99.77698	0.8
103.05444	0.8
104.17675	0.6
105.04525	1.5
105.07030	16.6
107.04957	2.5
107.08598	100.0
108.04434	0.6
108.08929	3.8
109.06517	7.5
109.07658	1.0
114.72770	0.7
117.07034	1.9
119.06092	3.3
119.08585	10.3
120.09380	2.8
121.25258	0.7
130.59306	0.6
133.10132	0.8
135.04428	2.4
135.08052	2.9
135.11699	40.2
136.02171	8.8
136.06139	3.4
136.07660	1.4
136.08736	1.8
136.12021	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05519	6.9
57.07072	1.7
65.03938	1.1
67.05504	2.8
68.05015	2.1
69.07053	2.3
70.00015	5.5
79.05492	16.9
81.07064	2.9
87.45398	1.0
88.91452	1.0
89.03944	1.1
91.05486	30.8
93.07050	50.9
94.07372	1.7
95.04972	5.8
96.06853	1.7
105.04517	1.2
105.06380	1.9
105.07034	16.1
107.04970	2.2
107.08597	100.0
108.08226	1.2
108.08945	4.0
109.06517	5.3
109.07630	1.6
117.06997	2.5
119.06051	2.2
119.08571	10.8
120.09357	4.2
129.83173	1.2
133.10155	1.2
135.04437	3.8
135.05504	1.8
135.08070	4.2
135.11700	40.0
136.02164	21.2
136.03123	1.6
136.06203	12.8
136.07579	1.7
136.08688	1.7
136.12027	1.9
144.48853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03951	4.7
55.01875	6.0
55.05515	5.4
56.96534	0.7
62.85163	0.8
65.03949	5.5
67.05508	4.2
68.05041	6.6
69.03429	6.1
69.07062	2.2
71.00279	1.0
71.00626	1.9
74.51629	0.8
79.05496	41.5
80.05038	0.9
80.05828	1.4
81.07050	2.8
81.85120	0.7
89.03909	1.8
91.05485	61.3
92.05817	2.5
93.07047	53.1
94.06554	0.9
94.07372	0.9
95.04977	8.1
95.06078	2.2
96.06898	3.8
103.05450	0.8
105.04522	1.5
105.07037	24.1
106.07336	1.3
107.04968	8.8
107.08598	100.0
108.08189	1.1
108.08915	3.2
109.01102	2.3
109.06520	11.6
109.07629	2.2
115.05468	12.9
117.07010	13.0
119.03544	1.4
119.06091	3.9
119.08578	9.9
120.09356	1.9
124.05189	0.9
133.10124	1.1
135.04466	9.1
135.05528	2.3
135.06673	2.0
135.08058	35.8
135.11690	36.3
136.02171	73.1
136.03920	2.7
136.05141	1.9
136.06186	28.3
136.07544	5.1
136.08633	5.9
136.11168	1.0
137.04546	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02378	0.9
51.75705	0.8
52.06101	0.9
53.03932	4.2
55.01867	3.1
55.05501	5.8
57.07065	1.4
59.07331	0.9
65.03931	2.2
66.77338	0.8
67.05507	2.9
68.05013	2.6
69.03418	2.6
69.07040	2.5
70.15771	1.0
70.23608	3.5
79.05060	1.8
79.05492	28.9
81.07060	3.1
88.40544	1.1
89.03947	0.9
91.05480	46.6
92.05799	1.8
93.07046	52.0
95.04980	10.0
95.06119	1.0
96.06882	1.7
105.04507	1.7
105.07039	19.9
106.07839	1.4
107.04968	10.4
107.08596	100.0
108.08938	4.3
109.01090	4.3
109.06512	9.1
115.05446	5.5
117.07002	6.2
119.03558	2.0
119.06077	2.7
119.08584	12.9
120.09407	4.4
121.01542	1.0
126.02121	1.0
133.10072	1.6
135.04413	11.2
135.05542	3.0
135.06587	3.2
135.08067	19.8
135.11694	42.9
136.02164	92.4
136.03886	2.7
136.05089	2.8
136.06184	34.5
136.07542	4.6
136.08517	2.6
136.12018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03933	5.4
55.05495	5.4
57.39495	1.4
63.02364	4.4
65.81155	1.3
67.05502	3.1
68.05013	1.6
69.07074	3.5
71.59107	2.2
71.59542	1.5
78.70300	1.3
79.05065	2.1
79.05493	31.2
79.05949	1.7
80.05827	1.8
81.07039	2.3
89.03918	83.9
90.04256	3.1
91.05486	26.3
93.06470	2.7
93.07047	46.8
95.04972	12.3
96.06855	2.1
105.04492	2.8
105.07021	12.1
107.04955	20.5
107.08591	84.1
108.08877	1.6
109.06517	5.3
110.90474	1.8
115.05409	2.2
117.03377	33.9
119.06072	2.1
119.08585	6.2
120.09319	2.3
135.04414	100.0
135.08081	5.7
135.10696	1.8
135.11688	30.6
136.02164	21.8
136.04805	3.6
136.06177	4.9
136.07639	1.4
136.08679	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03938	3.6
55.01870	11.3
55.05498	4.4
64.85329	0.9
65.03954	5.1
67.05511	5.8
67.18721	1.0
69.03427	11.6
69.07069	2.2
70.64029	3.1
71.44437	0.9
79.05489	44.8
80.05817	1.1
81.07053	2.4
89.03899	1.6
91.05476	76.3
92.05805	2.0
92.06319	1.6
92.81160	1.0
93.07037	40.4
95.04965	10.0
105.07026	30.8
106.07330	1.1
107.04950	9.7
107.08589	100.0
108.08247	1.1
108.08936	3.9
109.01096	1.5
109.06513	16.9
115.05451	17.3
117.00718	1.1
117.07012	17.1
119.06065	5.4
119.08578	6.6
120.09341	2.0
135.04456	7.1
135.05463	2.0
135.06563	2.5
135.08051	50.9
135.11691	21.7
136.01105	2.6
136.02156	48.7
136.03819	1.9
136.05121	1.8
136.06189	20.6
136.07558	3.0
136.08484	1.9
137.09677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03939	6.0
53.26707	1.3
54.50042	1.6
54.94193	1.3
55.05501	5.1
59.06104	1.5
60.04525	2.1
63.02376	2.5
67.05495	3.4
68.05011	2.4
69.07050	1.9
70.84720	4.4
75.05607	2.2
77.03923	1.5
79.05495	29.9
81.03397	1.8
81.07059	2.8
87.05589	12.9
89.03918	73.6
90.04260	2.2
91.05488	22.4
93.07048	36.4
95.04974	13.1
96.06870	3.4
105.04514	2.9
105.07024	9.7
107.04956	24.7
107.08596	64.0
108.05386	1.6
109.01109	2.5
109.06510	5.4
109.07666	3.0
115.56444	1.3
117.03382	35.7
119.06087	2.6
119.08596	7.3
120.09422	1.8
135.04420	100.0
135.08113	6.7
135.09013	1.5
135.11681	25.0
136.02164	31.4
136.04839	2.7
136.06187	11.6
136.07698	1.5
136.08696	4.8
139.31604	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
56.04772	0.4
56.05031	2.8
57.03439	1.5
58.06595	4.5
59.07378	4.0
60.08160	4.1
62.13282	0.3
69.03413	0.6
70.02898	1.2
70.06592	1.8
71.04981	0.7
72.08150	1.1
73.02915	2.2
74.02430	1.3
74.06078	7.4
74.09731	0.5
75.04479	1.8
79.64407	0.3
80.48467	0.3
82.59149	0.3
86.09676	0.6
86.66055	0.3
88.02649	0.6
88.03978	0.5
88.07623	0.9
90.09202	0.8
98.09722	0.3
100.02488	0.4
101.00896	0.4
102.02362	0.6
102.09177	100.0
103.09483	2.2
109.02186	0.3
116.07069	0.7
118.03529	0.4
118.63311	0.3
119.01923	2.6
125.97809	0.3
131.01917	0.6
134.08165	0.8
134.11763	45.8
135.12143	1.4
137.02965	0.4
142.03545	2.3
143.03499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05490	1.6
65.03932	0.4
71.28650	0.6
71.28994	0.4
74.02423	0.5
77.03884	0.5
78.35756	0.3
79.05492	15.7
80.05790	0.4
89.25401	0.3
91.05480	10.9
92.05781	0.6
93.07043	2.4
95.04967	3.5
103.05463	9.0
105.07027	100.0
106.07355	4.9
107.08566	0.4
115.05453	2.5
117.07005	2.1
118.04163	0.5
118.07826	2.1
123.08048	8.3
131.08578	4.4
133.02873	0.7
133.06505	29.3
133.07578	3.1
133.10124	38.9
134.05998	1.0
134.06903	2.2
134.10468	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99559	1.9
55.01897	2.1
56.96549	4.0
57.03439	16.8
65.29985	1.6
66.19356	1.5
68.02643	3.1
69.03415	5.3
71.60171	1.8
72.30872	1.8
72.52984	3.3
73.02907	3.8
74.02443	100.0
77.00887	1.8
79.51905	4.0
81.03411	7.6
85.02912	4.1
86.52689	16.5
87.02743	2.4
87.05628	2.2
87.53400	2.4
88.02662	3.0
88.03488	3.5
88.03992	57.7
88.52410	2.4
93.53466	2.6
95.01902	1.9
95.09629	1.7
95.53224	14.6
99.53465	4.3
100.02488	19.3
101.00914	2.5
102.02374	6.8
109.02876	3.3
111.02924	2.4
111.53441	3.3
113.53190	4.3
116.03455	5.5
118.03522	14.3
119.01931	21.7
119.07797	1.8
120.02017	2.9
120.53986	3.5
121.02824	2.0
122.53703	7.5
124.02419	2.2
131.01912	9.5
131.04028	2.0
131.54182	3.0
133.03468	3.1
134.04509	4.5
134.06006	2.0
137.02954	4.4
141.02707	4.2
142.03523	21.7
143.03641	2.2
154.03487	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51669	0.8
52.04569	0.9
53.03936	2.8
55.01870	5.5
55.05500	1.2
56.96567	10.1
57.03437	74.2
58.03758	3.5
58.99863	3.2
59.52184	1.5
60.04518	1.9
61.02923	4.4
65.52184	1.4
66.80852	0.9
68.02646	3.1
68.98277	0.9
69.03422	14.2
69.52434	0.8
70.43659	3.7
70.99845	1.1
71.01358	1.8
71.02959	1.1
72.52967	5.8
73.02917	23.3
74.02449	1.0
74.52680	1.5
74.97617	0.9
75.01025	1.1
75.01898	2.3
75.04477	1.0
75.05609	0.9
77.00913	5.0
77.52184	4.1
78.52956	11.1
79.02193	1.2
79.03027	2.1
79.51919	4.1
80.52692	2.7
81.03415	9.9
81.53489	1.3
82.01439	6.3
82.02688	1.4
82.99841	1.5
83.01520	1.6
83.04995	1.2
84.52961	4.0
85.02895	8.9
85.51918	2.4
85.53745	5.1
86.52700	40.1
86.99320	1.9
87.02734	4.6
87.05590	2.1
87.52571	2.4
87.53473	3.9
88.02680	24.0
88.51686	2.4
88.52763	1.2
89.00902	1.4
89.02563	1.3
91.00509	0.9
91.05493	2.1
92.52729	1.9
93.01897	7.1
93.07066	1.2
93.51958	2.3
93.53477	11.8
94.03571	2.9
94.52428	2.3
94.54259	2.8
95.01925	1.5
95.53223	29.1
96.02401	1.1
96.03305	3.8
96.53067	2.0
97.02880	2.8
97.03213	3.7
98.03493	2.9
98.52686	4.3
98.97585	4.2
99.02721	1.0
99.04465	3.1
99.53481	11.5
100.02480	42.3
100.03527	2.2
100.52448	2.9
101.00872	21.1
101.02540	5.4
101.53197	2.7
102.00957	2.4
102.02399	24.8
102.52489	3.1
102.53990	1.7
103.00647	1.4
103.02418	2.2
103.03941	1.5
104.52662	2.5
104.53750	1.0
105.00379	1.6
107.04046	1.3
107.08583	2.9
107.53153	1.8
108.54025	2.5
109.02898	4.7
109.52979	1.2
110.54547	1.5
111.02924	27.5
111.04324	1.6
111.53522	14.6
112.02825	1.1
112.03547	2.2
113.00865	3.7
113.53186	9.2
114.03278	1.8
115.02433	3.9
116.98615	5.6
118.01141	1.0
118.03516	31.5
119.01920	86.6
119.03611	4.8
119.55011	1.4
120.01993	10.7
120.03351	7.8
120.04128	1.2
120.54034	7.0
121.01634	11.0
121.02833	11.4
122.53722	10.5
123.04164	2.0
123.53548	1.0
124.02439	12.2
125.02565	1.5
125.99234	1.1
127.03902	2.2
128.01964	2.8
129.03947	1.4
131.01904	33.8
131.54218	7.9
132.02011	4.3
133.01665	1.3
133.03456	7.3
134.06027	1.5
134.99658	5.0
135.04449	1.5
136.04576	1.4
137.02974	20.1
137.50027	8.7
138.00084	2.8
138.03036	3.1
138.04010	1.3
138.49898	2.9
139.02686	1.6
141.02718	3.4
141.05087	1.9
142.03499	100.0
143.01881	3.7
143.03633	14.0
144.03233	7.7
145.03452	6.7
147.01372	3.0
147.05045	2.5
149.00888	1.6
149.02945	8.6
153.00797	1.6
154.03471	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.85654	0.4
53.03937	1.2
55.05515	2.8
56.96565	0.8
58.05336	1.4
65.03934	0.5
67.05496	0.7
69.86900	2.3
69.87314	0.9
71.04974	0.6
74.02435	2.6
74.06092	0.7
75.05608	0.6
79.05495	6.6
79.85632	0.4
81.35635	0.4
82.05308	0.5
85.04024	1.5
87.05587	1.7
88.02205	0.7
88.03987	0.4
91.05484	20.7
92.05801	0.7
93.07045	6.7
95.04968	2.0
98.21586	0.6
103.05472	3.2
105.07033	100.0
106.06617	0.8
106.07361	4.5
107.08584	0.7
112.02200	0.6
115.05488	3.3
115.29266	0.4
116.06248	0.5
116.07057	0.7
117.07011	3.4
118.07836	3.7
120.16834	0.4
123.07963	0.7
129.06996	0.7
131.08565	6.7
133.02887	1.0
133.05397	0.6
133.06522	7.2
133.10133	60.2
134.06010	1.9
134.07117	1.8
134.10458	2.4
144.09297	0.4
149.47223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	0.7
55.05501	2.0
57.14928	0.4
63.02391	0.4
65.03943	0.6
70.76442	1.3
77.03941	0.7
79.05496	4.3
91.05481	13.4
92.05785	0.6
93.07056	3.2
93.64368	0.4
95.04964	1.0
103.05463	1.9
105.07031	42.4
106.07373	1.9
107.08609	0.9
115.05447	4.3
116.06271	0.6
117.07016	4.6
118.07810	5.2
123.07939	0.4
131.08588	6.0
133.02824	0.6
133.06606	2.7
133.10130	100.0
134.06032	1.0
134.07079	0.6
134.09575	0.7
134.10474	6.1
143.04047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59150	0.8
55.01871	1.1
55.05509	4.4
66.92945	0.9
67.05486	1.2
70.45204	1.3
70.45595	1.9
74.02417	1.5
79.05486	6.6
81.04533	1.3
88.02205	2.1
91.05483	32.7
92.05817	0.9
92.16879	0.9
93.07036	7.9
95.04952	2.4
98.21489	0.9
103.05479	4.1
105.07031	100.0
105.58029	0.7
106.06611	1.3
106.07368	4.5
112.02175	1.4
113.02966	1.4
115.05464	5.8
116.06250	1.0
117.07029	5.9
118.07811	8.2
119.84561	0.9
123.07952	1.9
131.08571	14.0
132.90536	1.9
133.02881	1.4
133.06557	8.5
133.10130	93.0
134.06042	3.8
134.07051	1.5
134.10472	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.9
55.05512	3.1
57.75822	0.8
58.10126	1.0
59.25406	0.7
67.05501	1.5
69.75297	4.7
71.48640	0.9
79.05484	5.1
80.25697	1.0
88.77477	0.8
91.05482	26.2
93.07036	5.0
95.04984	1.6
98.21475	1.8
103.05475	4.2
105.07033	69.3
106.07373	2.7
107.08566	1.1
115.05476	4.6
117.07004	6.8
118.07807	7.6
129.06987	0.9
131.08583	8.9
131.53073	0.8
133.06541	1.5
133.10132	100.0
134.10451	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01861	0.5
55.05508	2.6
57.04552	0.4
58.05361	2.0
67.05489	1.0
69.03436	0.6
70.65086	0.9
70.65453	0.8
74.02441	1.1
74.06084	0.8
75.05589	0.7
77.03928	0.7
79.05490	5.9
85.04037	1.4
87.05595	1.6
88.07647	0.5
91.05481	23.1
92.05809	0.6
93.07043	5.8
95.04977	1.6
97.02909	0.4
103.05487	3.3
104.05039	0.7
105.03419	1.2
105.07030	100.0
106.06555	4.1
106.07367	2.9
112.02211	1.0
115.05460	2.5
117.07035	4.5
118.07809	4.4
123.07951	1.0
130.16818	0.4
131.08566	5.8
133.02856	1.0
133.05235	2.8
133.06491	6.8
133.10133	49.8
134.06021	9.6
134.07076	1.1
134.10464	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.23037	0.4
53.03944	0.8
55.05502	1.9
58.96256	0.4
65.03950	0.5
69.03423	0.5
69.28790	3.8
69.29190	1.1
70.01605	0.5
71.75159	0.4
79.05501	4.1
83.30931	0.4
91.05492	15.7
92.05800	0.5
93.07030	3.8
95.04977	1.2
103.05482	2.9
105.03387	0.4
105.07041	46.7
106.07379	1.7
107.08590	1.0
107.72538	0.5
112.02213	0.6
115.05461	4.6
116.06226	0.5
117.07036	4.6
118.04192	0.5
118.07817	6.6
123.07975	0.7
127.67254	0.4
129.06998	0.4
131.08574	6.5
133.02829	0.8
133.06516	7.2
133.10143	100.0
134.07010	0.8
134.10477	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01867	1.3
55.05499	3.4
55.21517	1.0
66.86554	0.9
69.03432	1.6
69.62126	0.8
70.06582	0.9
71.05006	1.1
74.71669	0.9
77.03909	1.2
79.01871	0.9
79.05494	10.2
81.04543	2.2
88.02206	2.6
91.05488	25.1
93.07060	5.6
95.04979	2.6
103.05467	6.6
105.03390	1.9
105.07033	100.0
106.06618	1.6
106.07353	4.7
109.71941	0.8
112.02169	3.4
113.02964	2.4
115.05437	6.4
115.61065	0.9
117.07022	5.7
118.04174	1.6
118.07832	6.9
122.29710	1.0
123.07929	6.5
131.08574	7.8
133.02850	2.3
133.06535	22.4
133.07570	3.9
133.10133	99.3
134.06009	7.4
134.07007	2.5
134.09592	1.8
134.10474	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03947	1.6
55.05511	2.7
57.50035	0.7
60.99241	0.6
65.03926	1.5
67.05508	1.0
70.95927	2.2
79.05494	9.3
88.02239	1.4
91.04906	1.2
91.05482	24.0
93.07032	5.0
95.04968	2.9
103.05470	5.2
105.03438	1.0
105.07035	99.0
106.07376	4.9
107.08647	0.8
115.05463	6.1
117.07030	5.0
118.04220	0.8
118.07809	6.8
123.08033	3.1
129.07021	0.8
131.08582	9.3
132.08907	0.7
133.06529	15.8
133.10136	100.0
134.05997	1.4
134.06947	1.7
134.10477	5.2
150.16634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58720	0.5
53.03947	0.7
55.01864	0.6
55.05504	1.6
65.03948	0.5
67.05502	0.7
71.12109	0.7
71.12447	1.2
74.51853	0.5
79.05498	4.0
88.02194	0.7
89.82883	0.5
91.05486	14.0
92.05824	0.9
93.07041	3.3
95.04942	1.2
103.05492	2.6
105.03388	0.8
105.07034	42.3
106.07352	1.5
107.08611	1.1
115.05434	4.3
117.07042	4.3
118.07800	5.7
131.08568	6.3
132.08926	0.6
133.02858	0.8
133.06575	3.2
133.10133	100.0
134.06015	1.5
134.07144	1.3
134.10466	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33659	1.1
55.05499	2.2
59.47637	1.0
62.46395	0.9
70.36350	2.4
70.36745	2.7
74.02383	1.3
79.05496	5.6
91.05488	21.9
92.03383	1.0
92.05773	1.6
93.07027	5.3
93.71598	1.1
95.04941	1.2
103.05479	3.7
105.07041	76.0
106.07399	2.9
107.08547	1.4
107.49245	1.0
110.54291	1.1
115.05480	7.1
117.07000	6.0
118.07815	7.7
123.08065	1.3
131.08554	12.1
132.75597	1.1
133.06496	4.3
133.10136	100.0
134.06026	2.3
134.10474	6.9
152.50211	1.0
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	Tetralin
Peak:m/z	Relative Intensity
55.05517	4.9
67.05492	2.0
69.48109	8.9
79.05498	7.7
89.25596	1.0
91.05487	39.3
92.05795	2.0
93.07045	3.5
95.04980	1.3
103.05498	3.3
105.07036	100.0
106.07375	5.3
115.05458	2.9
116.06246	1.3
117.07017	3.7
118.07836	5.6
131.08569	9.9
132.49821	1.0
133.06497	2.4
133.10139	72.0
134.06039	1.4
134.10495	3.9
144.24382	0.9
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
53.03937	1.6
55.05519	2.0
62.19941	0.8
63.71119	0.8
67.05523	0.9
70.76218	3.0
73.60186	0.8
79.05494	7.6
88.02215	1.8
91.05481	22.2
92.05818	1.3
93.07045	6.0
95.04990	1.9
103.05470	4.0
105.07033	77.9
106.07360	2.8
107.08614	1.0
109.37343	0.9
115.05473	4.7
116.06202	0.9
117.07005	7.5
118.07808	6.1
129.06996	0.9
131.08572	13.1
133.06488	7.3
133.10132	100.0
134.10455	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03947	2.0
55.05516	2.1
67.23718	1.0
70.27087	3.9
74.36628	0.9
77.03922	1.2
79.05498	12.9
88.02216	0.9
91.05483	13.7
93.07064	2.4
95.04979	2.7
95.91946	1.0
97.02888	0.9
97.81134	1.0
103.05500	8.4
103.33014	1.0
105.03382	2.0
105.07038	100.0
106.07402	6.3
112.02180	0.9
115.05464	4.2
117.07059	2.9
118.04168	1.6
118.07790	3.0
121.70191	0.9
123.08026	7.0
131.08591	5.4
133.02847	2.9
133.06520	30.7
133.07584	3.5
133.10136	52.4
134.05984	3.0
134.07004	2.7
134.10501	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
54.33229	0.7
55.05497	2.6
61.98428	0.8
67.05460	1.3
69.55310	2.6
69.55717	4.5
79.05495	7.3
81.21477	0.8
91.05479	22.2
92.05816	1.3
93.07055	4.7
95.04949	0.9
97.50480	0.8
103.05468	2.8
105.07032	79.7
106.07352	4.1
107.08551	1.3
115.05456	5.6
116.06233	1.7
117.07016	8.1
118.07837	6.8
131.08577	13.2
132.08914	1.3
133.06487	2.4
133.10135	100.0
134.10457	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02384	1.0
55.05503	3.1
57.68713	0.9
60.88992	1.0
62.09627	0.9
70.73364	3.4
71.01872	1.1
73.53635	0.9
75.99220	1.1
79.05498	8.5
89.08173	0.9
91.05480	25.2
93.07054	4.9
95.04963	1.9
103.05457	4.0
105.07033	90.7
106.07358	4.4
107.08601	1.5
115.05462	6.7
117.07023	4.2
118.07800	7.9
124.88583	1.1
131.08565	15.9
133.06520	7.1
133.10129	100.0
134.06044	1.5
134.10506	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03941	1.4
53.18895	1.1
54.11594	1.1
55.05497	3.6
59.67422	1.2
69.86665	7.2
71.99776	1.0
76.04030	1.1
79.05485	7.1
91.05486	27.6
92.05751	1.6
93.07040	5.6
95.04978	2.1
103.05495	5.3
105.07031	100.0
106.06680	1.0
106.07362	4.4
112.19538	1.0
115.05441	5.2
116.46722	1.1
117.07040	7.4
118.07819	7.0
131.08548	12.2
132.90482	1.4
133.06500	8.0
133.10132	89.9
134.06017	2.3
134.10484	4.6
136.85695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05501	2.4
71.12540	0.9
79.05499	4.6
81.80703	0.9
82.54361	0.8
88.02200	0.7
90.36922	0.8
91.05479	22.4
92.05811	1.0
93.07062	4.5
95.04990	1.2
96.78109	0.6
103.05476	3.2
105.07031	69.7
106.07376	2.9
107.08605	1.8
115.05443	5.8
116.82461	0.7
117.07041	5.3
118.07807	7.6
131.08575	11.9
133.06483	2.5
133.10132	100.0
134.06065	1.0
134.10466	5.1
144.56946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03942	0.8
55.01855	0.5
55.05509	0.6
63.39660	0.4
67.05492	0.4
67.25524	0.4
69.03431	0.6
69.34267	0.4
71.59094	0.6
77.03934	0.5
79.05486	3.8
81.04529	0.4
84.53720	0.4
87.05566	0.5
88.02206	0.9
91.04906	0.5
91.05483	9.1
93.07046	8.7
95.04970	1.5
103.05486	2.7
105.03406	0.9
105.07030	100.0
106.06571	1.0
106.07363	4.1
107.08630	0.4
112.02177	0.9
113.02979	0.5
115.05435	1.9
117.07028	1.4
118.04169	0.6
118.07802	1.7
118.66986	0.4
123.07969	1.7
131.08572	3.2
133.02844	0.8
133.06514	11.6
133.10129	37.7
134.05995	2.1
134.06937	0.6
134.10484	2.0
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	Tetralin
Peak:m/z	Relative Intensity
53.03955	1.5
55.05502	3.7
59.50799	1.2
63.18658	1.1
70.73637	2.8
79.05486	6.8
91.05483	25.9
91.87824	0.9
93.07040	5.9
103.05468	5.2
103.19882	1.0
105.07034	91.1
106.07359	4.7
114.02685	1.0
115.05453	4.3
117.07018	5.1
118.07834	6.0
131.08566	15.3
133.06476	3.0
133.10132	100.0
134.10451	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05514	2.6
65.03929	1.4
71.41472	2.1
79.05481	7.8
87.66609	0.9
88.02204	1.5
91.05484	26.7
92.05820	2.4
93.07033	6.9
95.04951	1.7
103.05469	3.9
105.07037	91.7
106.07366	3.3
107.08618	1.1
115.05465	4.3
116.06263	1.6
117.07040	7.8
118.07819	5.6
131.08571	9.8
133.02827	1.1
133.06488	6.6
133.10129	100.0
134.06056	1.9
134.09622	1.4
134.10486	6.8
154.06432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.3
60.49448	0.9
62.91066	1.0
67.05502	1.2
70.79398	1.6
76.25813	0.9
79.05494	7.5
88.97588	0.9
91.05481	32.7
92.05788	1.7
93.07043	5.2
95.04974	2.4
97.96285	0.9
103.05472	3.5
105.07033	94.6
106.07356	4.6
107.08620	1.5
108.31431	1.0
115.05460	5.6
116.06276	1.4
117.07010	5.1
118.07796	4.5
120.21423	1.1
128.60526	1.1
131.08575	15.4
133.06523	3.2
133.10132	100.0
134.05986	1.1
134.10474	6.3
149.84933	1.1
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
51.00386	0.4
51.02374	0.4
51.28324	0.4
53.03941	0.8
55.05502	0.6
61.82012	0.3
71.11297	0.8
75.54279	0.3
77.03968	0.4
79.05497	3.7
87.33940	0.4
91.05479	6.0
93.07040	9.7
95.04968	1.0
103.05470	2.0
105.07026	100.0
106.07354	4.6
110.52475	0.4
112.02167	0.5
115.05456	1.4
117.07019	1.6
118.07800	1.1
131.08572	1.3
133.06508	3.0
133.10124	32.5
134.06064	0.6
134.07066	0.5
134.10449	1.9
134.79135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44250	0.8
55.01232	1.0
55.05491	2.9
63.20109	1.0
71.36316	1.4
71.36666	1.5
79.05495	5.8
91.05479	25.0
93.07039	4.7
95.04953	1.2
103.05496	2.8
105.07030	82.3
106.07393	2.3
115.05453	4.7
117.07003	5.7
118.07798	3.7
123.07926	1.5
131.08560	9.5
132.08914	1.0
133.06546	8.0
133.10127	100.0
134.05998	1.4
134.10449	3.7
135.07851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03945	2.4
55.01859	1.7
55.05500	1.7
58.05330	1.4
65.03934	0.8
69.03414	1.7
69.34485	5.0
74.06067	1.0
77.03901	1.0
79.05492	16.2
80.81628	0.5
85.04018	1.1
86.06062	0.7
87.05599	1.3
88.02247	0.8
88.07642	0.6
90.04677	0.5
90.83426	0.5
91.05487	17.9
93.07034	3.1
94.72106	0.5
95.04971	5.1
97.43436	0.5
98.21472	0.8
103.05466	10.4
105.03421	1.3
105.04545	1.4
105.07033	95.0
106.06570	1.4
106.07368	2.7
107.08655	0.8
113.26360	0.5
115.05456	4.6
117.07020	4.4
118.04152	2.1
118.07824	3.5
119.07313	0.6
123.07932	0.9
131.04907	0.9
131.08578	3.7
133.02879	2.5
133.06499	100.0
133.10136	54.9
134.05965	1.5
134.06865	4.5
134.09634	1.6
134.10484	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
53.08757	0.6
55.01860	2.5
55.05518	1.3
57.03421	0.6
58.05340	4.6
59.06129	1.0
60.04520	0.6
60.23434	0.6
66.04696	0.7
69.03437	1.0
70.42578	0.5
70.56490	2.2
72.04530	0.6
73.02906	0.8
74.02433	0.7
74.06082	1.6
75.05598	2.0
77.03963	0.6
79.05491	10.6
79.05952	0.7
81.63105	0.6
83.07425	0.6
85.04019	2.6
86.04806	1.0
87.05589	1.4
88.02221	1.2
88.07601	1.1
89.03920	0.7
90.04688	2.4
91.04975	1.0
91.05487	15.3
92.07098	0.7
93.07044	1.9
95.04964	2.8
97.02914	0.7
103.05477	7.3
105.03415	1.0
105.07029	100.0
106.06581	1.0
106.07352	2.7
115.05483	3.6
116.07130	0.7
117.07026	2.4
118.04155	10.7
118.07799	2.1
123.07928	1.4
129.59547	0.6
131.04935	0.9
131.08578	3.7
133.06497	85.9
133.10136	40.2
134.05968	1.9
134.06940	4.1
134.10507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01860	3.2
55.05507	1.1
56.63923	0.7
56.81255	0.7
63.84945	0.6
65.03903	0.8
66.04736	1.3
67.05509	0.8
69.03442	1.3
69.51384	5.3
69.96563	0.7
79.05499	10.9
85.02929	0.7
88.02209	1.3
90.04696	1.7
91.05486	13.3
93.07056	2.9
95.04972	2.8
103.05468	8.2
105.07034	100.0
106.06622	1.3
106.07366	5.4
113.02993	1.1
115.05463	3.6
117.07061	2.1
118.04172	10.9
118.07812	1.5
119.90893	0.7
123.07980	2.4
127.37059	0.7
131.04906	0.8
131.08578	3.6
133.06497	87.0
133.10132	32.8
134.05974	2.4
134.06877	5.5
134.10452	2.0
140.54631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.04203	0.6
52.13274	0.7
52.59980	0.7
53.03953	0.9
55.01866	2.9
55.05512	2.1
56.96577	1.3
57.03415	0.7
58.05338	2.8
60.04515	0.8
60.34526	0.7
65.03917	0.8
66.04709	0.8
67.05492	0.9
69.03429	1.5
70.87641	1.0
70.87981	1.6
71.68816	0.7
73.04007	0.7
74.06066	1.2
75.05611	1.7
79.05499	10.8
85.04018	2.6
87.05589	1.8
88.07653	1.1
90.04702	2.9
91.04973	1.0
91.05494	15.4
93.07041	3.3
95.04969	2.9
97.02903	0.8
98.06151	0.7
102.08373	0.7
103.05469	9.6
105.07038	100.0
106.07394	4.6
107.06075	0.8
112.02154	0.8
115.05457	2.8
117.06982	1.4
118.04170	9.8
118.07838	1.5
119.04591	0.8
123.07919	1.3
128.33292	0.7
130.61566	0.6
131.08589	5.1
133.06506	84.9
133.10143	31.3
134.05986	1.7
134.06886	5.5
134.10516	1.7
135.94289	0.6
136.44942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.92020	0.9
51.02376	0.8
53.03941	1.8
55.01858	1.9
55.05496	1.2
66.04741	1.1
69.62655	5.7
69.63062	2.0
74.93806	0.8
79.05486	13.3
79.46466	0.8
90.04716	2.4
91.05484	7.5
93.07042	1.3
95.04974	4.7
103.05470	12.1
105.07031	100.0
106.07372	3.0
115.05450	2.3
117.07016	1.6
118.04163	7.9
118.07821	1.4
123.08044	5.4
131.08571	3.5
133.06493	88.6
133.10130	26.9
133.11082	1.7
134.05962	1.0
134.06848	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.56410	0.7
51.69569	0.7
53.03937	2.2
55.01872	1.1
55.05515	1.5
70.80885	2.7
75.07543	0.8
77.44959	0.7
79.05492	15.4
88.02155	1.5
91.05476	11.8
93.07033	2.8
93.68571	0.8
95.04945	4.0
103.05471	8.6
104.10865	1.0
105.03400	1.4
105.07027	100.0
106.07362	2.4
106.60689	0.8
115.05456	2.0
117.07033	2.0
118.07778	3.0
123.08054	6.5
128.07666	0.8
131.08553	4.3
133.06499	34.1
133.07550	2.2
133.10126	42.7
134.05978	1.4
134.06947	1.3
134.10463	1.8
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
50.67099	0.4
51.02361	0.5
53.03952	1.9
54.30915	0.4
55.01858	0.5
55.05498	1.5
65.03947	0.5
75.41199	0.4
77.03920	0.9
79.05495	14.4
80.05785	0.5
81.04519	0.5
88.02231	1.1
88.07644	0.6
91.05482	9.6
93.07050	2.5
95.04978	3.7
103.05473	10.1
104.05759	0.4
105.03396	0.9
105.07035	100.0
106.07359	5.6
107.08570	0.7
112.02151	0.5
115.05457	2.6
117.07025	1.8
118.07818	2.3
123.08051	7.6
123.47393	0.4
124.08424	0.5
124.23312	0.4
131.08574	4.5
133.02896	0.9
133.06514	32.7
133.07585	3.6
133.10135	35.1
134.05998	1.5
134.06924	2.1
134.10515	2.3
144.04793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03940	1.5
55.01874	3.1
55.05519	0.8
66.04719	2.6
68.21071	0.7
71.59384	1.0
74.02447	0.8
77.03948	1.1
79.05487	12.6
87.05598	0.8
88.02219	1.3
90.04714	1.9
91.05474	10.9
93.07052	2.2
95.04953	1.7
102.89127	0.7
103.05462	10.1
104.04994	1.7
105.03385	2.2
105.07024	92.7
106.06557	10.7
106.07355	3.0
112.02169	1.7
113.03006	1.2
115.05447	5.0
116.93118	0.7
117.07011	2.0
118.04163	11.9
118.07778	1.4
123.07957	2.6
131.04950	0.9
131.08549	4.0
133.05281	6.5
133.06485	100.0
133.10115	29.3
134.06000	16.7
134.06871	2.9
144.04828	0.8
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
53.03939	2.7
55.01858	2.0
55.05502	1.3
57.03395	0.6
66.04715	1.1
69.92677	3.1
69.93097	1.3
77.03927	1.1
79.05498	20.7
80.05851	0.7
88.02211	1.0
90.04697	1.4
91.05489	11.7
93.07048	2.0
95.04974	4.6
98.21452	0.9
103.05473	12.3
105.03409	2.0
105.07037	100.0
106.06629	1.6
106.07367	4.6
112.02209	1.3
115.05464	3.4
117.07011	2.4
118.04174	5.2
118.07832	2.0
123.08060	12.4
124.08366	1.1
131.08614	3.5
133.02888	3.2
133.06516	82.6
133.07594	9.4
133.10136	32.1
134.05997	3.0
134.06892	5.3
134.10532	1.9
144.04834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71099	0.7
53.03940	1.4
55.01863	2.1
55.05506	1.5
61.50377	0.7
66.04704	1.7
69.61141	0.7
78.06148	0.7
79.05490	9.5
90.04691	3.0
91.05476	8.6
93.07040	1.8
95.04967	2.0
98.20672	1.4
102.04567	0.7
103.05466	11.1
105.07027	87.3
106.06584	1.3
106.07352	2.7
107.04958	1.1
115.05466	3.4
117.07019	1.8
118.04154	11.8
118.07819	1.4
123.07893	1.1
131.04930	1.0
131.08546	2.5
133.02879	1.5
133.06490	100.0
133.10115	27.9
134.05995	1.8
134.06847	4.9
134.10481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03946	1.3
55.01856	2.3
56.96555	0.8
65.95371	0.8
70.73093	1.8
70.73424	1.3
76.58957	0.7
79.05495	9.6
81.04521	0.8
88.02206	2.2
91.05482	13.7
91.47782	0.7
92.89226	0.8
93.07051	2.0
95.04971	3.4
97.02864	0.8
103.05473	7.3
105.07035	100.0
106.06609	1.4
106.07383	4.9
107.04963	0.9
112.02221	2.0
115.05502	3.9
117.07065	1.7
118.07831	2.0
123.07953	2.6
131.04964	1.4
131.08578	4.7
132.90477	1.0
133.06503	86.8
133.07494	3.2
133.10133	31.0
134.05972	3.6
134.06859	4.8
134.10524	1.6
144.04793	1.6
145.27774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.06597	0.8
64.24029	0.5
69.07066	1.5
71.17096	0.4
71.51373	0.7
79.31487	0.5
86.09708	100.0
86.77389	0.5
87.09512	0.6
87.10033	2.0
104.75915	0.4
132.10205	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.29731	0.4
53.35557	0.4
55.05492	1.0
56.05033	1.5
56.96570	0.7
57.03440	0.5
58.06601	26.8
59.05006	0.4
59.07382	18.8
61.01140	0.5
69.07074	6.2
69.77866	3.2
70.06583	1.0
72.05643	0.7
72.08150	0.9
74.02425	0.6
74.06092	2.6
78.13145	0.4
84.08148	0.7
86.06086	0.6
86.09709	27.3
87.04514	0.4
87.08095	0.6
87.10022	1.1
88.07641	0.5
90.05549	0.6
98.21486	0.6
114.06578	0.5
114.09142	1.0
117.36148	0.5
132.10211	100.0
132.13844	3.1
133.10556	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0609
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
55.01870	1.0
55.05513	0.5
56.05033	1.7
56.96566	3.3
57.03443	4.2
58.02930	0.3
58.06603	2.6
58.99864	0.7
59.04992	0.6
59.06945	0.4
60.04523	1.6
60.95852	0.6
61.01155	2.9
61.02918	0.8
69.03426	1.1
70.02953	4.6
70.06600	5.3
70.07394	0.8
70.34510	1.5
71.01366	0.5
71.04996	3.6
72.08156	1.3
73.02926	6.9
74.02445	100.0
74.06084	4.6
75.02769	1.0
75.05600	2.5
75.39670	0.4
76.01333	0.4
76.07635	0.9
78.52966	1.0
81.03414	0.9
82.01430	0.5
84.01584	0.6
85.02921	2.0
86.06069	1.1
86.09720	1.1
86.52705	1.5
87.01919	0.4
87.02689	4.0
87.05596	35.7
87.09500	0.5
87.10034	5.2
87.53513	0.5
88.02690	3.3
88.03998	14.3
88.05936	0.6
88.07640	4.4
89.02500	0.4
91.05497	0.5
92.52695	0.5
93.01971	1.5
93.53487	1.1
95.01942	0.8
97.02882	0.6
98.02419	0.7
98.06054	0.9
99.00857	0.7
99.01987	0.5
99.04445	0.5
99.53487	1.1
100.02493	2.7
101.00879	2.4
101.07214	0.5
102.02417	4.2
102.09179	6.3
102.96902	0.4
103.02452	0.5
105.00082	0.6
105.02027	0.4
105.07037	3.9
109.02899	0.8
111.02954	2.1
113.53222	1.0
115.08687	0.8
116.03468	10.5
116.07130	1.7
116.10762	1.2
116.98635	0.4
118.03528	2.5
119.01919	9.9
120.03442	0.8
122.53743	1.5
124.02477	1.3
128.01987	0.5
131.01927	2.7
131.08679	0.5
131.54247	0.5
133.03333	1.6
133.06065	6.2
133.09756	1.8
133.10538	2.5
134.04529	0.5
134.08141	1.1
134.11765	5.7
137.02936	2.0
139.78920	0.4
142.03511	12.2
142.04617	0.8
145.03488	0.5
146.99612	0.6
147.01427	0.7
149.02957	0.6
154.03549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
56.01400	0.6
56.05038	1.4
56.96580	0.5
57.03423	0.7
58.06597	0.8
59.06122	1.1
60.04530	1.1
64.73296	0.5
68.05009	0.5
69.03436	0.5
69.07079	0.5
70.03762	0.9
70.06599	0.7
70.12080	0.4
71.04955	0.4
71.58745	0.8
72.04525	1.1
72.08174	0.7
75.10035	0.6
77.66201	0.4
84.04544	0.6
85.08473	0.9
86.06071	1.4
86.09715	3.0
87.05591	0.7
91.05487	59.9
92.05837	2.4
95.05007	0.7
98.04817	0.9
103.05479	12.5
104.05069	0.4
104.05794	0.5
105.04575	0.6
105.07024	0.6
113.07160	1.4
113.07949	4.6
115.05463	4.8
116.06249	20.0
117.06522	0.8
128.06213	0.5
129.07014	11.8
131.04976	3.3
131.08572	100.0
131.16286	1.4
132.04453	0.9
132.05621	0.5
132.06628	1.0
132.08052	0.7
132.08925	7.0
133.06522	1.1
143.06122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01598	0.4
51.02388	0.4
53.03953	3.3
55.05513	0.5
55.82412	0.3
56.05035	0.5
56.96569	0.8
57.03438	1.1
57.04556	1.1
58.02953	0.5
58.05349	1.7
58.06598	1.0
59.06126	1.0
60.04536	0.8
65.64561	0.3
68.05047	0.5
69.03429	1.0
69.07072	0.8
70.06604	0.6
71.01350	0.5
71.05014	0.5
71.06113	0.5
71.10809	0.8
72.04508	1.3
72.08151	1.7
73.04042	0.7
73.06577	0.3
74.06083	1.0
75.05608	1.9
77.03920	0.6
79.05516	0.3
84.04504	0.5
84.05643	0.3
85.03571	0.4
85.04024	1.8
86.06083	1.6
86.09713	6.7
87.05587	2.2
89.07142	0.7
89.10791	0.6
90.90391	0.3
91.05016	0.4
91.05534	0.8
92.07149	0.3
95.04978	4.5
96.04508	1.2
97.02921	0.6
104.04999	43.9
105.03416	1.0
105.04565	0.9
105.05344	1.8
105.07035	3.7
112.07627	0.3
114.05539	0.6
115.05032	0.7
115.08679	1.1
116.07106	0.5
123.07899	0.3
132.04460	100.0
133.02925	0.3
133.03992	0.4
133.04843	4.1
133.06523	1.8
133.10159	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03939	2.9
54.32001	0.3
54.98010	0.3
56.05040	0.5
56.96559	0.4
57.03421	0.8
58.06600	0.6
59.06122	0.9
60.04522	0.7
63.22217	0.3
67.14180	0.3
69.03426	1.3
69.07069	0.6
70.03761	1.4
70.81860	1.0
70.82205	0.3
71.91865	0.3
71.94816	0.3
72.04517	0.6
72.08124	0.5
77.03911	0.5
84.04500	0.6
84.08138	0.5
84.17857	0.3
85.04834	0.8
85.08464	1.0
86.06087	0.7
86.09705	2.5
87.05570	0.5
91.05489	6.2
92.05814	0.3
95.04975	5.8
97.18249	0.4
98.04823	0.3
99.44978	0.4
101.07150	0.4
102.04680	1.2
103.05470	100.0
104.05096	0.5
104.05798	5.1
105.04502	1.1
113.07236	0.6
113.07947	6.8
115.05467	0.8
116.06256	1.8
118.61205	0.3
129.07008	1.2
131.04936	24.0
131.05933	0.8
131.06932	1.1
131.08528	9.0
132.04402	0.6
132.05280	1.0
132.06581	1.0
132.08984	0.3
132.10237	0.5
144.08087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.05523	0.6
56.01387	0.7
56.05030	1.8
56.96536	0.7
57.03428	1.2
58.06595	1.4
59.06112	1.9
60.04509	1.3
69.02397	0.5
69.03426	1.5
69.07066	0.8
70.03767	1.6
70.06586	1.0
70.84567	1.9
71.04963	0.7
71.06088	1.0
72.04520	2.0
72.08140	1.8
73.02910	0.7
74.06078	0.6
83.02478	0.6
83.06078	0.9
84.04491	1.5
84.08122	0.7
85.04817	0.9
85.08448	0.9
86.06080	2.2
86.09709	6.3
87.05605	1.4
91.05484	59.8
92.05785	2.6
95.04967	1.5
98.04788	0.9
98.08437	0.6
98.73444	0.6
103.05471	17.7
104.04952	0.7
104.05865	0.8
105.07044	0.9
113.07157	1.6
113.07941	8.0
115.05460	4.8
116.06246	20.6
116.48138	0.6
117.06593	1.2
128.06223	0.7
129.07016	11.1
130.07333	0.9
131.04938	5.3
131.08569	100.0
131.16309	1.1
132.04468	0.9
132.06557	1.8
132.08063	0.9
132.08922	6.8
133.06485	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.3
53.03956	2.2
56.05042	0.8
56.96560	0.8
57.03437	0.7
58.02969	0.4
58.06603	0.8
59.06134	1.4
60.04532	0.7
61.80964	0.3
65.63226	0.3
67.05530	0.3
68.05023	0.3
68.95285	0.8
69.03433	1.0
69.07059	0.5
70.03773	1.2
71.05003	0.3
71.06097	0.3
71.32663	0.3
71.58812	0.4
72.04517	0.9
72.08150	0.5
77.03938	0.4
83.02499	0.5
83.06127	0.5
84.04528	0.7
85.02892	0.4
85.04842	0.5
85.08488	0.9
86.06090	1.2
86.09712	3.1
87.05590	0.9
91.05486	8.6
95.04977	4.9
95.08622	0.4
98.04803	0.9
101.07169	0.5
102.04685	0.8
103.05476	100.0
104.05119	0.4
104.05812	5.2
105.04515	0.8
106.98373	0.3
113.07172	1.5
113.07957	5.4
114.04308	0.3
114.05530	0.6
114.25861	0.3
115.05500	0.6
116.06248	2.4
116.48202	0.4
129.06981	1.5
131.04936	16.5
131.06923	1.0
131.08560	11.2
131.16252	0.3
132.04443	0.7
132.05334	0.6
132.06564	1.0
132.08923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
51.17090	0.3
53.03957	2.6
56.05018	0.4
57.03433	0.8
58.06596	0.4
59.06114	0.5
60.04518	0.5
67.05497	0.4
69.03425	0.9
70.03753	1.0
71.60940	0.5
72.04515	0.4
72.66341	0.3
77.03912	0.3
84.04503	0.6
84.08148	0.3
85.04253	0.3
85.04816	0.6
85.08482	0.8
86.06083	0.5
86.09697	0.9
86.13631	0.3
91.05481	4.2
95.04374	0.4
95.04972	5.5
102.04712	0.9
103.05470	100.0
104.05794	4.4
105.04545	1.0
113.07192	0.8
113.07928	4.8
116.06230	1.0
124.06868	0.4
129.07025	0.4
131.04935	24.5
131.08501	4.3
132.05286	1.4
132.06549	0.8
144.08092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
57.03435	0.6
58.89959	0.4
61.37175	0.4
69.03459	0.6
70.03767	0.5
70.42840	1.8
77.48219	0.5
85.04830	0.5
85.08488	0.5
86.09679	0.8
89.78510	0.4
91.05486	10.6
92.05798	0.5
95.04969	4.3
98.20886	0.6
102.04703	0.5
103.05473	100.0
104.05788	4.8
105.04533	1.0
113.07939	3.4
113.79641	0.4
115.05455	0.9
116.06234	2.5
122.79253	0.4
128.60542	0.5
129.07002	1.2
131.04935	16.8
131.05934	0.9
131.08562	15.1
132.05331	0.9
132.06552	0.7
132.07990	0.5
132.10378	0.5
147.45192	0.4
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
53.03953	3.0
57.03431	0.5
59.06133	0.6
68.95251	0.3
69.03423	0.6
70.03765	0.8
71.59801	0.3
72.21989	0.3
77.03927	0.5
81.03410	0.5
84.04498	0.4
85.04883	0.4
85.08480	1.0
86.06063	0.3
86.09710	1.1
91.05491	5.4
93.83646	0.3
95.04971	6.0
102.04687	1.2
103.05473	100.0
104.05793	4.4
105.04519	1.5
113.07261	0.3
113.07954	4.1
115.05486	0.3
116.06265	1.3
129.07011	1.1
131.04939	22.3
131.05934	0.9
131.08530	6.9
132.04431	0.5
132.05322	1.0
132.06572	0.8
144.08080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03950	2.5
56.05040	0.6
57.03432	0.9
58.06600	0.6
59.06118	1.4
60.04527	0.5
68.95285	0.6
69.03440	0.8
69.53719	0.5
70.03762	1.1
71.60444	0.6
72.04534	0.5
72.08143	0.5
77.03925	0.4
84.04527	0.3
85.08460	1.0
86.06068	0.8
86.09722	2.2
87.05637	0.6
91.05485	10.3
95.04971	4.9
99.78564	0.4
102.04713	0.9
103.05472	100.0
104.05799	4.9
105.04517	0.9
113.07175	1.0
113.07954	5.6
114.05515	0.4
115.05437	0.8
116.06243	3.2
128.96667	0.4
129.07039	1.3
131.04936	23.5
131.06927	1.0
131.08548	13.5
132.05270	1.4
132.06549	0.9
132.09024	0.6
144.08115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
57.03431	0.5
59.06133	0.6
68.95251	0.3
69.03423	0.6
70.03765	0.8
71.59801	0.3
72.21989	0.3
77.03927	0.5
81.03410	0.5
84.04498	0.4
85.04883	0.4
85.08480	1.0
86.06063	0.3
86.09710	1.1
91.05491	5.4
93.83646	0.3
95.04971	6.0
102.04687	1.2
103.05473	100.0
104.05793	4.4
105.04519	1.5
113.07261	0.3
113.07954	4.1
115.05486	0.3
116.06265	1.3
129.07011	1.1
131.04939	22.3
131.05934	0.9
131.08530	6.9
132.04431	0.5
132.05322	1.0
132.06572	0.8
144.08080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
53.03957	2.0
61.02177	0.3
70.14240	1.3
77.03927	0.6
91.05461	0.7
95.04967	4.6
101.11059	0.3
102.04664	1.0
103.05467	100.0
103.96442	0.3
104.05806	4.3
105.04501	0.8
111.99942	0.3
113.07946	1.2
124.33838	0.3
131.04929	16.2
131.08595	1.0
132.05252	0.8
144.08067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03946	2.2
57.03440	0.8
67.05514	0.3
68.95275	0.3
69.03423	0.8
70.03764	0.9
70.38374	0.7
70.38770	0.5
72.04500	0.6
81.03405	0.3
81.61270	0.3
84.04506	0.8
84.40754	0.3
85.02901	0.4
85.04855	1.2
85.08482	0.9
86.06049	0.4
86.09711	1.3
88.38034	0.3
91.05483	4.4
95.04966	4.7
102.04684	0.6
103.05463	100.0
104.05801	4.4
105.04513	0.6
113.07211	0.3
113.07931	4.3
114.05549	0.3
115.05496	0.4
116.06234	1.1
120.80670	0.3
124.72883	0.3
129.07011	0.8
131.04922	17.7
131.06905	1.0
131.08513	6.9
131.16316	0.3
132.04399	0.4
132.05309	0.8
132.06566	0.8
132.08905	0.4
139.76938	0.4
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	0.3
51.02388	0.5
53.03946	2.5
56.36510	0.3
57.03438	0.8
57.43736	0.3
59.06119	0.8
60.04528	0.5
68.95291	0.3
69.03432	0.7
69.07082	0.3
70.03745	0.8
71.04974	0.3
71.57083	0.4
72.04521	0.3
72.08133	0.3
73.55657	0.3
77.03915	0.6
77.43755	0.3
80.87558	0.2
84.04491	1.0
85.02927	0.3
85.04854	1.6
85.08484	1.2
86.06066	0.6
86.09702	2.9
91.05479	6.6
95.04974	5.1
96.05318	0.2
102.04667	0.8
103.05466	100.0
104.05797	5.5
105.04509	0.8
109.06499	0.3
112.07594	0.3
113.02336	0.3
113.07193	0.4
113.07938	5.4
114.58601	0.3
115.05441	0.6
116.06246	1.5
129.06975	1.2
131.04927	17.7
131.06900	7.2
131.08501	6.9
131.09839	0.3
132.05273	0.8
132.06578	0.6
132.08047	0.5
132.08940	0.4
144.08112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03954	1.8
70.89265	0.6
70.89605	0.3
77.03912	0.6
85.04810	0.4
86.09695	0.7
88.58870	0.2
90.45922	0.2
91.05493	1.8
95.04958	3.8
102.04663	0.9
103.05466	100.0
104.05798	4.3
105.04510	0.8
113.07968	1.7
116.06228	0.6
131.04930	17.2
131.08524	2.3
132.05286	0.8
132.06587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41974	0.3
53.03955	2.0
57.03439	0.4
69.03444	0.3
70.23678	0.3
70.24732	0.3
77.03951	0.5
85.04829	0.5
91.05483	4.2
95.04971	4.7
102.04698	0.8
103.05473	100.0
104.05800	5.5
105.04510	0.8
111.69677	0.3
113.07951	3.0
116.06259	1.0
129.06979	0.7
131.04936	17.2
131.08549	5.8
132.05336	1.2
132.06596	0.4
132.08014	0.3
137.19878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03944	2.6
57.03432	0.4
59.06122	0.4
60.04527	0.4
67.05522	0.4
69.03436	0.6
69.39300	2.5
70.03761	1.0
70.20095	0.3
75.62491	0.3
84.04520	0.5
85.04842	1.0
85.08480	0.7
85.95227	0.3
86.09705	2.0
91.05476	4.4
93.03139	0.3
95.04972	4.9
96.05339	0.3
98.20743	0.5
102.04678	1.0
103.05469	100.0
104.05789	4.3
105.04509	0.8
113.07215	0.3
113.07942	5.1
115.05463	0.6
115.64829	0.3
116.06214	1.1
116.28963	0.2
129.06996	0.9
131.04926	23.9
131.06914	1.0
131.08510	5.9
132.04410	0.5
132.05281	1.0
132.06601	0.6
132.08060	0.4
144.08061	0.9
147.66545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0865
Annotation	L-Pipecolate
Peak:m/z	Relative Intensity
56.05035	1.0
56.96575	0.6
56.99760	0.3
57.07063	0.3
67.05518	0.7
68.05062	0.3
69.03434	29.1
69.07073	2.6
69.68040	1.7
69.68450	0.6
70.03762	0.8
70.06604	0.4
71.04998	0.5
72.08152	0.7
82.06586	2.1
84.04513	1.2
84.08149	16.5
85.08493	0.4
94.06571	0.8
100.97571	0.3
112.07613	100.0
113.07220	0.4
113.07938	3.6
116.98645	0.3
130.08652	31.3
131.08977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03937	0.6
54.03453	0.2
55.01865	0.4
55.02990	0.9
55.05523	1.0
56.01353	0.2
56.05039	2.3
56.96566	2.1
57.03427	0.8
57.04548	0.4
57.07053	0.5
58.02959	0.3
58.06603	1.6
59.06121	1.7
59.07383	0.5
60.04516	0.7
61.02919	0.2
67.03004	0.3
67.05495	0.6
68.05049	0.4
68.95272	0.4
69.03432	15.1
69.07077	2.5
69.30508	1.3
69.30935	0.9
70.06600	3.5
71.04986	0.7
71.06927	0.3
72.04517	1.1
72.08161	6.6
73.02917	0.3
74.04816	0.3
74.06078	0.3
74.09702	0.4
76.04030	0.2
77.03919	0.3
82.06578	1.0
83.02454	0.6
83.06095	0.4
84.04509	14.9
84.08147	13.1
85.02928	1.0
85.04035	0.7
85.06492	0.5
85.07677	2.2
86.06072	0.8
87.05627	0.3
87.09216	1.2
88.07631	0.4
90.04283	0.3
91.01831	0.2
91.03285	0.3
91.05466	0.3
92.01295	0.2
94.06553	0.4
95.04942	1.6
95.06084	0.3
96.01566	0.2
96.04465	0.3
96.08168	0.3
97.00523	0.2
98.01302	0.3
98.04796	0.5
98.97594	0.7
102.04650	0.4
103.05481	8.1
104.05824	0.3
105.04508	0.3
110.01283	0.4
110.83297	0.2
111.42609	0.2
112.05127	1.2
112.07610	48.3
113.05875	0.4
113.07133	2.2
113.07957	1.3
113.10781	0.5
116.06208	0.2
116.98631	0.8
119.01750	0.5
128.02356	0.3
128.04979	1.1
130.06537	100.0
130.08614	16.7
130.15936	0.4
131.05034	0.2
131.06007	0.4
131.06880	4.5
131.08307	0.3
134.99667	0.5
146.06024	0.9
146.99693	0.3
147.02298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03948	0.7
56.05029	0.8
57.07069	0.6
62.18444	0.2
65.52756	0.2
67.05511	0.5
69.03433	14.2
69.07070	1.8
69.97581	0.2
70.03732	0.2
70.06587	0.7
70.55450	0.7
71.04998	0.6
72.04537	0.3
74.09707	0.2
82.06576	0.9
84.04507	6.7
84.08144	10.1
85.07674	0.6
91.05463	0.6
91.94247	0.2
94.06548	0.3
95.04945	1.5
102.04672	0.2
102.09109	0.2
103.05475	12.7
104.05775	0.2
105.04523	0.3
112.07609	46.8
113.07146	0.5
113.07954	1.4
128.04993	1.1
129.05544	0.2
130.06532	100.0
130.08603	15.6
130.15932	1.3
131.04936	1.2
131.06892	4.0
131.08429	1.0
146.06015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0863
Annotation	L-Pipecolate
Peak:m/z	Relative Intensity
53.03938	1.0
54.03455	0.8
55.01858	2.0
55.02983	1.9
55.05510	4.8
56.01385	1.5
56.05039	5.4
56.96300	0.8
56.96566	12.2
57.03437	4.6
57.04549	0.9
57.07072	1.1
58.02950	1.3
58.06605	2.6
58.99860	1.4
59.03719	0.6
59.06123	6.3
59.52183	0.9
60.04509	1.6
61.02913	2.0
65.03932	1.6
66.04728	0.6
67.02986	1.1
67.05502	5.0
68.02648	0.7
68.05016	2.0
68.52690	0.6
68.95265	1.4
69.03429	36.5
69.04537	1.2
69.06723	0.7
69.07069	8.8
70.03749	1.3
70.06616	8.6
71.03000	3.2
71.04996	2.4
71.06107	0.9
71.95251	0.5
72.04517	3.3
72.08157	25.7
73.02918	2.7
73.04040	1.3
74.02462	0.7
74.06068	1.5
74.09715	0.9
75.05607	0.6
77.00868	1.6
78.52959	1.7
79.05504	1.1
80.03502	0.9
81.01029	0.5
81.03410	1.7
81.07047	1.1
82.01435	1.7
82.06552	1.9
82.53761	0.7
83.00787	1.7
83.02454	2.0
83.04984	1.0
83.06111	2.5
84.04506	31.6
84.08143	29.7
85.02911	2.6
85.04025	2.1
85.07666	6.4
85.08460	1.0
85.53712	0.7
86.06071	2.8
86.52686	1.3
87.03721	0.5
87.05582	0.8
87.09240	3.4
87.53487	0.7
88.02691	0.5
88.03966	0.7
88.07625	2.5
88.51691	1.7
89.01736	0.6
89.53219	0.5
90.01553	1.7
90.04285	1.6
90.52961	0.5
91.05486	3.4
91.53717	1.1
92.01305	1.9
92.04993	0.6
92.52710	0.8
92.53603	0.9
93.03394	0.6
93.07010	0.9
93.53463	2.2
93.54002	0.6
94.03207	0.8
94.06571	1.0
95.00755	0.6
95.01318	0.6
95.01920	0.9
95.04981	2.7
95.06083	1.6
96.04364	0.8
96.08137	0.7
97.02886	2.0
97.06420	0.7
97.53750	1.6
98.01298	1.3
98.04792	1.9
98.08440	0.8
98.52673	1.1
98.97595	3.0
99.53458	0.5
100.02483	20.1
100.52468	0.7
101.00824	1.3
101.02546	2.3
101.03439	0.7
101.07148	1.0
102.02227	2.7
103.02460	1.9
103.05508	4.0
104.07085	0.7
104.52699	0.8
105.02114	0.7
105.04313	0.7
105.53471	1.0
106.02798	0.8
106.54254	1.3
107.05083	1.6
107.05862	1.7
107.47637	0.7
107.52315	0.7
107.53152	0.6
107.54941	0.6
108.04226	0.6
109.02887	0.9
110.01305	0.8
110.05243	0.5
110.05956	0.6
110.52609	0.6
111.04475	1.0
112.05119	3.9
112.07604	100.0
113.05933	0.8
113.07133	9.1
113.07954	3.7
113.10760	1.4
113.55062	0.7
115.01178	0.6
115.02409	0.7
116.00197	0.7
116.02097	0.7
116.03001	0.7
116.03947	0.6
116.48168	0.7
116.53689	0.5
116.98619	4.0
117.03979	0.7
118.03519	20.5
118.52408	0.5
118.54253	0.9
118.56012	1.2
119.01862	5.6
119.03616	3.0
119.54990	1.2
119.56816	0.6
120.01984	0.6
120.03300	2.5
120.04446	0.8
121.01663	2.4
121.02757	0.8
121.03530	1.1
122.03514	0.6
123.04039	1.3
125.04603	0.8
127.03925	1.1
127.54761	0.8
128.02252	1.9
128.98616	0.9
129.04018	1.0
130.02167	1.2
130.04977	2.5
130.06607	7.3
130.08646	34.0
130.09731	2.5
130.12379	0.5
130.13397	1.3
130.15939	1.7
131.01918	1.9
131.03471	0.6
131.04938	1.1
131.06001	0.7
131.08295	1.7
132.02110	0.6
133.03456	1.3
134.99683	4.3
135.05043	1.1
136.04626	1.2
137.03004	0.8
139.02734	0.6
141.05070	2.6
142.03488	1.0
143.01962	0.6
143.02943	1.1
145.03502	1.0
145.04488	0.6
146.99687	1.3
147.05051	1.4
149.01178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
50.98343	0.4
53.03948	5.5
55.01877	2.2
55.05516	0.4
55.53436	0.3
57.03429	0.8
58.06590	0.4
60.04020	0.4
66.38551	0.3
68.05016	0.5
69.03423	1.1
70.06592	0.8
70.83831	1.1
71.04990	1.8
79.84826	0.3
81.03424	12.9
81.07022	0.5
82.06568	1.0
83.06107	0.4
85.07679	0.5
86.06063	0.5
87.06860	0.6
99.04484	0.6
100.07626	0.4
109.02883	24.6
109.07646	0.9
110.03201	0.9
110.06038	1.1
111.09199	1.1
127.03921	100.0
127.08671	1.4
128.04262	4.2
128.07082	0.7
131.54053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03951	1.9
55.01864	1.3
56.78465	0.3
70.06581	0.3
71.04999	0.3
81.03426	2.5
85.07623	0.3
91.38291	0.3
98.20752	1.0
109.02887	5.3
111.09214	0.8
127.03922	100.0
128.04259	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	126.022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
53.29901	0.5
55.01860	0.8
56.96559	2.6
58.06598	1.6
59.06128	10.1
60.82653	0.5
65.82859	0.6
68.05030	12.0
69.03427	0.6
70.03287	0.6
70.06586	2.3
70.31889	2.4
70.32250	1.0
77.41216	0.5
79.00648	0.5
80.03448	0.7
80.05023	0.9
81.03425	4.9
82.06575	1.6
83.06105	0.9
84.96040	1.0
85.07677	4.5
86.08435	2.9
99.09222	0.6
100.02515	1.5
101.02601	0.7
102.02222	6.1
103.00629	8.1
103.02600	3.2
108.04486	1.1
109.02879	8.0
109.07638	7.3
111.53643	0.9
114.54636	0.5
118.03551	1.5
120.01975	2.8
120.03274	4.6
121.01671	100.0
121.03492	3.2
122.02099	0.9
126.05518	0.9
126.10281	13.0
127.03923	24.1
138.03024	1.5
139.02696	66.2
140.03079	0.8
141.03050	0.8
144.03246	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	127.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
53.49582	0.2
54.38279	0.3
55.01880	1.6
56.05025	0.4
57.03418	0.3
58.06582	0.4
59.06117	0.5
68.05016	0.5
69.03440	0.4
69.05355	0.4
70.06592	1.4
71.05006	1.3
71.35699	0.5
75.77496	0.2
75.94604	0.2
81.03419	4.4
81.07066	0.3
82.02960	0.2
82.06577	0.7
83.06105	0.8
84.08139	0.4
85.07650	0.6
86.06070	0.8
87.06844	0.3
94.06575	0.3
97.07646	0.3
99.04439	0.3
109.02885	9.4
109.07631	1.1
110.03206	0.5
110.06035	0.6
110.07977	0.3
111.09213	2.8
127.03918	100.0
127.08678	0.8
127.10654	0.4
128.04256	3.5
128.07057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0961
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
54.15150	0.6
55.01855	2.1
55.05511	5.8
64.11780	0.7
65.03936	1.0
67.05482	1.2
68.05027	0.9
69.03426	8.4
69.07063	1.8
70.91972	1.9
77.42567	0.6
79.05493	7.6
80.04981	0.8
81.07049	9.3
83.04977	4.9
83.08586	0.8
84.86496	0.6
91.05468	5.2
95.08605	2.4
97.02898	1.2
97.06503	1.6
104.13829	0.7
105.07012	3.8
107.08585	22.9
107.09297	1.3
108.04504	1.3
108.08920	1.0
109.06516	2.3
120.13304	0.6
124.85394	0.8
125.02425	0.9
125.06026	1.5
125.09624	100.0
126.05532	1.5
126.09959	3.3
129.35396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01870	3.3
55.05511	5.8
55.84967	0.6
57.03432	0.9
58.79342	0.8
60.97792	0.6
65.03926	1.0
67.05489	1.3
69.03127	0.9
69.03426	8.4
69.07049	1.6
70.14120	2.6
71.35979	0.6
75.88593	0.7
79.05483	7.3
81.07047	8.1
82.07413	0.9
83.04979	6.5
91.05491	6.2
91.86121	0.6
95.04963	1.2
95.08595	1.9
97.02882	2.3
97.06522	2.5
98.06033	0.6
105.07041	3.7
107.08587	22.2
108.04477	1.3
109.06540	1.9
125.02345	2.3
125.05997	1.9
125.09624	100.0
126.05508	2.7
126.09946	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	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
52.56858	0.9
52.91394	0.7
55.01868	3.0
55.05519	5.2
57.03414	0.9
58.88919	0.7
59.05014	0.9
69.03429	9.1
69.07049	1.4
70.60370	2.7
72.26920	0.7
79.05498	6.2
81.07066	8.5
83.04980	5.0
91.05464	4.0
95.08597	2.5
97.06548	0.9
98.04112	0.8
99.27792	0.7
101.27466	0.7
101.60114	0.7
105.07043	2.7
107.07864	1.2
107.08593	22.9
109.06519	1.5
125.09635	100.0
126.09978	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	125.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39138	0.6
55.01863	2.1
55.05509	5.7
57.03442	1.0
60.75283	0.6
65.03931	1.0
67.05519	1.5
69.03437	8.2
69.07057	0.9
70.72630	2.0
79.05500	6.9
81.03461	0.7
81.07063	9.1
83.04984	5.2
91.05505	5.6
95.08607	2.1
97.02901	1.7
97.06525	2.1
105.07022	3.3
107.08601	23.9
109.06525	2.4
109.07616	1.1
113.89096	0.7
125.02355	1.6
125.06041	1.3
125.09638	100.0
126.05525	1.1
126.10030	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	125.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01862	2.6
55.05514	6.2
56.05046	1.0
57.03424	0.9
57.04587	0.7
59.06115	2.3
65.03926	1.1
67.05496	1.6
68.05018	2.7
69.03431	10.3
69.07069	1.5
70.06591	1.1
70.83570	2.0
79.05492	8.7
80.51282	0.7
81.07057	7.7
82.06577	1.8
83.04985	6.9
85.07660	0.9
86.08420	1.1
91.05485	6.4
95.08584	2.4
97.02887	2.7
97.06522	2.8
97.10144	1.0
102.02200	1.3
105.07040	4.2
107.08593	24.3
108.04518	1.8
108.08917	1.0
109.06513	2.6
109.07636	2.3
125.02338	1.8
125.04292	1.2
125.07110	2.8
125.09628	100.0
126.05516	2.9
126.10002	3.9
126.28330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64294	0.3
55.84963	0.3
68.05021	0.7
69.04551	4.4
70.06586	0.4
70.61445	1.0
81.04531	3.3
82.05317	13.1
83.03747	0.5
83.06097	1.0
93.04511	0.6
95.06073	1.0
95.94242	0.3
96.06871	2.0
97.02895	0.4
97.03998	0.9
97.05283	0.4
97.07645	1.1
98.06046	1.4
102.02237	1.3
109.04000	11.2
110.04778	100.0
111.04436	0.7
111.05116	2.3
120.02005	0.7
120.03271	0.5
121.01672	0.3
125.07108	74.5
126.06690	1.7
126.07397	2.0
138.03029	0.3
139.02815	0.4
139.69347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0598
Annotation	Salicyl alcohol
Peak:m/z	Relative Intensity
53.03944	7.4
55.01863	1.4
55.05498	1.1
60.22417	0.5
65.03959	0.6
69.03412	1.0
69.07072	3.4
70.33069	0.5
71.37576	0.5
71.60094	1.0
75.43193	0.6
77.03915	0.8
79.05495	100.0
80.05838	3.4
81.07059	50.5
82.07384	2.2
83.04994	3.7
83.07717	0.8
84.04517	0.7
88.38893	0.7
91.05466	0.6
95.04964	6.5
97.02911	2.9
97.06538	20.0
105.04520	2.3
105.06999	0.6
105.62033	0.6
107.04962	14.1
107.05697	0.7
107.08593	1.8
108.04488	1.5
109.06526	0.6
112.69382	0.6
125.02353	1.4
125.05994	13.6
125.09631	4.5
125.12393	0.9
126.05491	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	125.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03479	0.4
58.88419	0.3
68.05012	0.7
69.04553	4.7
70.39978	1.7
70.40303	0.5
71.05013	0.4
80.05023	0.3
81.03413	0.9
81.04540	2.3
82.05324	10.2
83.05659	0.5
83.06110	1.0
84.92970	0.4
88.02632	0.3
91.30801	0.3
93.04533	0.4
95.06080	1.5
95.24763	0.3
96.04471	0.5
96.06886	2.4
97.04023	1.4
97.07655	1.7
98.06053	1.2
102.02238	3.2
108.04515	0.4
109.03999	9.8
110.04784	100.0
111.04468	0.5
111.05125	2.9
114.35887	0.4
116.41202	0.4
119.01935	0.8
120.01995	3.1
120.03281	2.7
121.01665	2.2
125.07115	82.6
125.31101	0.4
126.06638	6.2
126.07467	2.5
137.02974	0.6
138.03058	2.4
139.02708	1.5
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
52.64294	0.3
55.84963	0.3
68.05021	0.7
69.04551	4.4
70.06586	0.4
70.61445	1.0
81.04531	3.3
82.05317	13.1
83.03747	0.5
83.06097	1.0
93.04511	0.6
95.06073	1.0
95.94242	0.3
96.06871	2.0
97.02895	0.4
97.03998	0.9
97.05283	0.4
97.07645	1.1
98.06046	1.4
102.02237	1.3
109.04000	11.2
110.04778	100.0
111.04436	0.7
111.05116	2.3
120.02005	0.7
120.03271	0.5
121.01672	0.3
125.07108	74.5
126.06690	1.7
126.07397	2.0
138.03029	0.3
139.02815	0.4
139.69347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0598
Annotation	3-Hydroxybenzyl alcohol
Peak:m/z	Relative Intensity
53.03950	6.5
55.01868	1.6
55.05503	1.6
61.37914	0.7
65.03951	1.0
66.04733	0.7
67.05505	1.5
69.03436	2.2
69.07084	3.9
69.58169	4.3
70.69045	0.6
76.31621	0.5
79.05498	100.0
80.05023	0.8
80.05832	4.3
80.06270	0.9
81.03423	1.4
81.07063	49.8
82.07391	3.7
83.04991	5.8
83.07775	0.8
93.51384	0.5
95.04975	8.9
97.02885	3.5
97.06539	21.9
98.06056	0.6
105.04539	1.4
107.04966	18.6
107.08635	1.6
108.04575	1.0
108.05293	1.2
119.38271	0.5
125.02394	2.5
125.04388	0.7
125.06004	15.5
125.06989	1.2
125.09664	5.2
125.10500	1.0
125.12395	1.3
126.05508	3.3
126.06315	0.7
134.04344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
51.02370	0.9
53.03951	8.5
54.03466	1.3
55.01861	0.9
55.05504	1.9
56.05038	2.8
56.96561	0.5
57.07068	1.5
65.03953	0.5
67.05505	9.4
68.05016	2.1
69.07070	0.8
70.06589	0.7
70.41273	1.8
70.41652	1.0
77.03920	1.4
79.05492	5.3
80.05017	7.5
81.03439	1.3
81.04534	3.0
81.07063	34.5
82.01441	0.6
82.05325	0.8
82.07391	1.4
83.05635	0.9
83.06100	6.3
93.07054	0.9
95.04972	100.0
95.08609	8.5
96.04493	3.0
96.05306	4.0
97.07669	3.6
100.02479	3.3
105.04520	3.6
105.07007	0.6
107.06083	3.9
108.05735	0.8
111.82624	0.5
112.03982	1.3
118.03526	2.5
118.53220	0.6
119.01934	0.5
119.03565	0.5
121.10181	0.5
123.04447	28.3
123.05558	15.7
123.06495	0.9
123.08135	5.7
123.09034	1.0
123.10075	1.1
123.11711	13.0
123.12583	1.0
124.03960	8.1
124.04863	1.8
124.05870	1.2
124.07814	0.8
124.08718	6.6
137.02997	0.5
140.03465	1.3
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
50.72859	0.2
53.03943	0.5
54.03475	0.3
55.01872	0.3
55.05507	0.5
56.05035	2.3
56.05291	0.3
56.96562	2.4
58.06603	0.8
59.07369	0.4
67.05505	0.4
68.05021	0.9
69.04552	0.6
69.71996	0.2
70.06583	0.6
72.08140	0.6
77.00893	0.4
78.04713	0.3
78.06336	0.6
79.00629	0.3
79.05486	0.3
80.05015	2.0
81.03415	0.5
81.04524	1.9
81.05320	0.5
81.07056	0.3
82.01456	0.3
82.05332	0.2
82.06586	0.4
82.99855	0.8
83.01523	0.8
83.06104	4.2
84.01181	0.5
84.05761	0.2
84.08146	1.2
95.04952	0.8
96.04504	0.8
96.05314	2.6
96.06869	0.3
96.08121	0.3
97.02885	0.9
97.05321	0.3
97.07641	1.9
100.02484	3.3
101.00871	9.9
101.02549	8.3
102.00953	0.7
102.02232	5.5
103.90759	0.3
103.97946	0.2
107.06090	2.7
109.02869	1.2
110.01300	0.7
110.04792	2.0
112.03983	0.4
117.10271	0.5
118.03527	3.0
119.01917	100.0
119.03605	8.1
120.02015	6.8
120.03268	4.3
120.04066	0.3
121.01598	0.4
121.02360	0.6
124.02508	0.4
124.03957	5.5
124.04877	0.7
124.05880	1.4
124.07633	0.8
124.08716	3.7
125.02422	0.3
125.06194	0.4
125.07100	2.9
125.10746	0.3
133.03453	0.3
136.92195	0.2
137.02951	58.2
138.03044	4.4
140.03410	0.6
140.85736	0.3
142.03491	8.7
142.05165	0.4
143.03598	0.7
143.04749	0.3
144.03261	0.3
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
53.03946	2.5
54.17458	0.5
55.05516	4.1
55.93846	0.5
57.07076	6.5
65.03941	0.9
67.05510	14.2
67.71671	0.6
69.07061	2.7
71.62236	0.5
75.65527	0.6
77.79785	0.6
79.04718	0.5
79.05499	10.8
80.05025	2.3
81.07064	100.0
82.07413	2.9
93.07059	1.7
94.07836	1.0
95.04978	14.8
95.05559	1.0
95.08614	15.1
96.04513	2.1
96.05305	0.8
100.02480	1.9
103.42374	0.6
112.03989	1.4
118.03531	1.3
121.10125	1.6
123.04440	5.3
123.05562	12.6
123.08091	5.7
123.10113	1.1
123.11719	39.2
124.03971	6.4
124.12017	1.6
131.91203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71958	1.1
53.03943	7.1
55.05505	5.0
56.96568	2.7
57.07081	5.5
64.23409	1.0
65.03931	1.2
66.32626	1.1
67.05164	2.1
67.05499	19.0
68.82787	1.2
69.07069	2.4
71.57870	1.9
79.01878	3.3
79.05495	11.8
80.05014	12.5
81.07059	91.9
82.07363	2.5
88.02374	3.6
93.07037	3.0
95.04971	100.0
95.08613	16.6
96.04485	9.7
96.05289	4.0
99.53153	2.2
100.02493	6.2
105.04507	3.4
106.07307	1.4
108.05759	1.7
112.03958	4.3
118.03561	7.0
119.01936	1.2
121.10089	1.4
123.04419	30.1
123.05543	28.6
123.06384	1.1
123.08077	9.0
123.08902	1.3
123.09999	3.1
123.11708	35.3
124.03956	40.0
124.05895	1.2
124.07587	2.6
124.12045	2.1
140.03426	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03951	4.1
55.05513	4.7
57.07076	5.5
65.03938	1.1
66.04727	0.5
67.05508	17.3
67.34323	0.4
68.05015	0.6
68.05833	0.5
69.07071	2.8
71.27065	0.4
71.61344	0.7
79.01859	1.0
79.05492	12.8
80.05018	8.5
80.05789	0.6
81.03432	0.6
81.07059	100.0
82.07380	2.7
86.21318	0.5
88.02386	0.9
93.07050	2.5
95.04970	37.4
95.08607	19.4
96.04486	6.0
96.05282	1.9
96.08926	0.7
100.02468	3.4
105.03384	0.5
105.04513	1.5
105.07021	1.4
106.07365	0.9
108.05743	1.3
108.07685	0.9
108.09359	0.6
111.12782	0.4
112.03974	3.1
115.11267	0.5
118.03514	3.3
119.01954	0.7
121.10147	1.6
123.04433	13.0
123.05548	34.4
123.08084	9.8
123.09975	2.0
123.11707	44.8
124.03951	17.6
124.04716	0.6
124.05884	1.9
124.07581	1.2
124.08588	0.7
124.12033	1.7
137.02898	0.9
140.03406	2.0
141.05064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.7
55.05500	4.1
55.88684	1.5
56.36113	1.3
56.96559	3.2
57.07074	5.8
57.34312	1.4
67.05511	20.4
68.42983	1.5
69.07060	1.7
70.64717	3.4
70.65078	2.9
79.01841	4.0
79.05498	10.7
80.05032	13.2
81.07059	100.0
82.07399	3.6
88.02375	5.8
93.07061	1.6
95.04969	67.2
95.08611	19.7
96.04491	8.3
96.05294	4.1
98.20773	1.5
99.53173	3.0
100.02488	11.6
101.02599	1.7
101.71667	1.4
102.43243	1.5
105.04508	3.8
108.07684	1.7
112.03978	5.9
118.03590	8.5
119.01957	2.0
123.04433	20.1
123.05558	39.2
123.06483	2.1
123.08075	12.9
123.10068	2.2
123.11713	40.1
124.03951	27.2
124.07571	3.1
124.12029	3.7
137.02950	1.6
140.03448	2.8
140.68198	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.1
55.01859	1.3
55.05495	3.8
56.96558	3.0
57.07061	3.3
67.05504	15.2
68.05017	1.1
69.07074	1.6
69.84693	5.2
71.63683	1.1
72.82944	0.9
73.61320	0.9
75.87132	0.9
77.03941	1.8
78.03442	1.8
79.01847	3.5
79.05484	7.7
80.05013	9.8
81.03436	1.3
81.07056	60.6
82.07375	2.7
85.74588	1.2
88.02364	5.1
93.07042	2.4
95.04969	100.0
95.08598	17.5
96.04483	9.1
96.05270	3.5
96.08119	1.2
97.02872	1.5
99.53111	1.7
100.02510	5.6
101.02496	1.1
105.04487	2.8
105.06998	1.9
106.07339	1.1
108.05714	4.1
108.07657	1.4
108.45854	1.1
112.03956	4.5
118.03510	7.1
123.04417	29.3
123.05535	30.2
123.08073	21.9
123.09003	2.2
123.10001	3.7
123.11701	25.5
124.03957	33.2
124.04769	2.3
124.05878	2.0
124.07609	1.7
137.74521	1.0
140.03413	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	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03949	2.2
55.05510	3.2
57.07074	6.6
62.24207	0.7
67.05504	12.7
69.07068	1.9
69.62010	5.8
71.92674	0.8
79.05492	12.0
80.61542	0.7
81.07056	100.0
82.07397	2.8
92.96590	0.8
93.07047	2.0
94.07813	1.1
95.04968	11.5
95.08604	17.6
103.71565	0.8
108.09377	1.3
121.10148	1.0
121.48409	0.7
123.04437	2.2
123.05553	2.6
123.08073	1.1
123.11707	44.0
124.03963	2.6
124.12016	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
53.46035	0.8
55.05511	4.5
57.07082	5.2
63.31515	0.9
65.03931	1.0
65.44129	1.0
67.05509	13.0
69.07051	2.8
69.70000	5.8
79.05059	1.2
79.05497	11.0
80.05024	2.6
81.07059	100.0
82.07384	2.9
88.93845	0.9
93.07030	1.5
95.04975	25.6
95.08054	1.7
95.08613	17.5
96.04491	3.4
100.72416	1.0
108.09344	1.1
112.03972	1.0
121.10147	1.6
123.04456	6.4
123.05566	15.3
123.08064	4.2
123.10032	1.3
123.10805	2.1
123.11710	40.3
124.03964	8.4
124.12063	1.3
128.64937	0.9
139.10995	1.1
141.24246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
53.48592	0.7
55.05509	4.2
57.07079	6.3
57.37644	0.9
58.77627	0.9
59.07187	0.9
59.26255	0.8
61.28681	0.9
67.05507	15.1
69.07065	3.5
69.41834	7.6
79.05492	10.7
80.05021	5.9
81.07062	100.0
82.07386	3.3
93.07073	1.3
95.04977	25.8
95.08611	17.3
96.04489	2.8
96.05253	1.0
112.03928	1.1
121.10139	2.1
123.04456	5.8
123.05563	13.6
123.08121	4.5
123.10811	2.1
123.11716	43.8
124.03957	8.1
124.12045	2.5
140.03358	1.0
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
50.22008	0.7
53.03946	3.0
55.05511	3.6
57.07079	6.3
65.03957	0.7
67.05510	15.5
69.07064	2.9
70.07955	3.9
79.05493	12.6
80.05020	6.0
81.07059	100.0
82.07381	2.8
93.07075	1.9
94.07815	1.3
95.04974	25.1
95.08612	16.1
96.04505	2.5
105.03436	0.9
105.07005	0.8
107.62254	0.7
108.05744	0.9
108.09414	0.9
112.03995	1.7
121.10126	1.0
123.04449	9.7
123.05566	15.6
123.06476	0.8
123.08100	7.0
123.11711	41.3
124.03955	9.4
124.05881	1.2
124.07558	0.9
124.12037	1.5
140.03412	1.1
140.74538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03936	2.7
55.05503	3.5
57.07077	6.5
65.03896	0.7
67.05505	14.5
69.07068	2.1
70.98985	0.8
70.99326	1.3
73.78291	0.8
75.75364	0.8
79.05498	11.4
80.05016	2.9
81.07060	100.0
82.07381	2.3
82.32072	0.9
93.07052	2.0
94.07826	1.2
95.04977	11.8
95.08609	13.7
96.04507	2.1
121.10139	1.1
123.04454	4.9
123.05557	10.9
123.08112	3.9
123.11713	40.6
124.03935	5.7
124.12017	1.8
132.55771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51034	0.1
53.03946	1.1
54.03459	0.2
55.10548	0.2
56.05043	0.4
56.96560	1.0
57.60492	0.1
58.06611	0.2
58.99866	0.2
62.90117	0.1
67.05508	0.6
68.05033	0.7
69.97430	0.7
70.06593	0.3
77.00922	0.3
77.03922	0.2
78.03457	0.9
79.04242	0.2
80.05016	27.4
81.03409	0.3
81.04533	0.8
81.05342	0.6
81.07062	0.6
82.01441	1.6
83.06106	1.5
84.08176	0.1
88.02338	0.2
95.04967	12.4
95.06058	0.5
96.04491	8.4
96.05256	0.4
97.02889	0.4
97.04791	0.2
97.07632	0.5
100.02479	11.8
101.00865	0.8
101.02581	0.6
105.04538	0.7
106.02903	2.4
106.04862	0.2
107.06081	0.6
108.53651	0.2
109.02851	0.2
112.03981	0.2
118.01131	0.2
118.03523	9.7
119.01921	8.5
119.03659	0.7
123.05548	100.0
124.03952	2.7
124.05116	0.3
124.05911	3.3
124.07920	0.2
124.08698	1.0
137.02953	4.2
141.05086	0.4
142.03491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	2-Ethylphenol
Peak:m/z	Relative Intensity
50.90446	0.3
51.02368	0.9
51.39732	0.3
53.03946	7.3
54.03460	0.9
55.01862	0.5
55.05504	1.3
56.05034	2.3
56.96553	0.7
58.06578	0.5
65.03940	0.6
67.05502	10.2
68.05026	1.2
69.03414	0.5
69.04550	0.4
69.63385	2.6
70.06581	1.1
77.03923	1.4
79.05487	4.4
80.05016	5.0
80.05808	0.5
80.06275	0.6
81.03439	0.8
81.04541	3.2
81.07053	13.2
82.01421	0.5
82.05334	0.4
82.07361	0.4
83.05630	0.4
83.06101	4.4
88.02382	0.4
92.25269	0.3
93.07048	1.6
95.04965	100.0
95.08601	15.7
96.04522	2.6
96.05273	4.2
96.08945	0.7
97.07662	2.5
97.41821	0.3
98.21533	0.4
100.02485	3.6
101.02600	0.5
103.05476	0.7
105.04518	4.0
105.07019	4.8
106.02874	0.5
106.07365	0.8
107.04955	2.2
107.06084	2.5
108.05733	17.1
108.07682	0.7
109.06039	0.5
112.03973	1.5
118.03513	4.1
119.01943	0.4
121.06488	2.9
123.04446	29.3
123.05558	13.1
123.08076	41.5
123.09893	1.6
123.11684	4.6
124.03957	9.0
124.04804	1.4
124.05915	0.7
124.07572	0.7
124.08700	6.8
125.05978	0.4
133.07631	0.4
135.05569	0.5
140.03444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
53.03949	0.7
55.01880	0.5
56.96564	0.6
57.03437	1.0
58.99853	0.9
61.02922	0.9
69.03432	0.6
69.52056	3.3
73.02912	0.9
74.09718	0.5
75.00286	0.4
77.00918	1.0
78.03453	5.2
80.05018	26.5
81.01896	0.4
81.03423	0.6
81.05362	0.5
82.01435	6.2
85.02911	0.5
88.02697	1.0
95.04969	7.5
95.06062	0.4
96.04494	8.5
99.69382	0.4
100.02483	53.9
101.00878	3.1
101.02554	3.2
101.53240	0.4
102.02402	1.1
106.02917	14.9
109.02862	0.5
114.78149	0.4
118.03524	46.1
119.01925	25.1
119.03593	3.8
119.60670	0.4
123.05554	100.0
124.02502	0.4
124.03945	3.2
124.05923	3.3
131.01894	1.4
137.02953	13.8
141.05084	2.4
142.03513	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	123.0555
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
51.27222	0.2
51.40008	0.3
53.03936	1.9
54.03453	0.3
56.96553	0.9
59.50206	0.3
61.18982	0.3
67.05500	1.0
67.06489	0.3
68.05019	0.5
70.89587	0.8
75.83799	0.2
77.03916	0.3
78.03445	0.8
78.06333	0.3
79.04222	0.4
79.05484	0.5
80.05017	24.9
81.04532	0.6
81.05350	0.7
81.07042	0.7
82.01434	0.6
82.31161	0.2
83.06091	0.8
84.08138	0.3
86.88380	0.2
95.04969	24.9
95.08606	0.4
96.04494	8.4
96.05273	0.8
97.07677	0.3
100.02487	4.0
101.00864	0.3
105.04517	1.0
106.02917	1.7
107.06045	0.5
118.03530	4.3
119.01925	2.2
123.04493	6.9
123.05550	100.0
124.03951	3.8
124.04866	0.4
124.05242	0.3
124.05917	2.3
124.07588	0.2
124.08719	0.7
136.18684	0.2
137.02930	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10683	1.4
52.85213	1.4
53.03940	4.6
54.69215	1.3
55.01867	2.5
56.96566	1.3
57.03434	4.2
58.84987	1.4
58.99863	2.7
60.58073	1.4
61.02919	3.5
67.05504	2.1
69.03426	5.2
71.27785	4.1
71.35472	1.5
73.02915	4.1
77.00902	1.8
78.52943	2.0
80.05017	11.4
81.07049	1.5
82.01437	15.0
84.08144	1.9
85.02909	1.8
88.02683	4.1
90.02429	1.6
93.01890	1.6
95.04970	44.7
96.04493	4.8
98.52670	2.0
100.02483	100.0
101.00882	5.2
101.02589	6.5
102.02349	2.6
106.02903	3.9
111.02911	3.2
118.03522	77.5
119.01927	33.1
119.03605	4.8
121.01662	2.1
123.04425	11.6
123.05554	41.3
124.03973	12.9
124.08746	1.9
131.01930	6.1
133.03470	2.1
137.02940	12.8
141.05075	3.0
142.03496	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
56.05037	1.0
56.96565	2.7
57.03429	1.2
58.99860	1.8
61.02922	1.2
67.05478	1.1
69.03448	1.1
70.29861	2.7
72.08150	0.7
77.00901	1.1
77.03959	0.5
78.03445	0.9
78.06325	0.7
80.05018	5.4
81.03413	0.8
81.04533	0.8
82.01447	14.1
82.99807	0.8
83.01476	0.6
83.06094	1.7
84.08140	1.5
90.02364	0.8
95.04966	26.4
96.04486	1.8
96.05247	0.7
97.02888	1.0
100.02480	100.0
101.00868	9.6
101.02559	5.8
102.02393	1.4
105.04518	0.8
106.02907	2.0
109.02906	1.0
118.03519	72.2
119.01916	71.5
119.03613	4.5
123.04404	9.3
123.05551	20.4
124.02457	0.6
124.03956	3.7
124.08746	0.8
124.58969	0.6
131.01907	1.5
131.80147	0.5
133.03447	0.8
136.04582	0.7
137.02951	36.6
141.05095	2.6
141.21205	0.5
142.03503	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	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.8
55.05503	6.7
67.05479	2.6
79.05061	4.1
79.05495	50.1
79.79279	2.1
81.07047	4.2
91.05490	37.2
92.71709	2.2
93.06471	4.9
93.07052	100.0
94.07375	4.1
95.04969	16.8
98.21518	4.9
103.04870	2.0
103.05457	13.4
105.07036	88.4
106.07908	11.0
107.07339	7.3
112.45498	1.9
114.02188	2.6
117.25987	2.7
119.08578	10.7
121.02869	2.8
121.06520	7.3
121.10145	92.3
122.06046	3.4
122.07160	3.9
122.09682	18.8
122.10487	4.7
123.08061	11.9
125.45963	2.1
133.07632	4.7
136.68805	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.03476	9.2
55.05513	2.5
55.90710	0.8
65.03951	1.1
67.05525	0.8
68.05029	3.0
70.06568	0.8
71.55994	1.7
77.74921	0.7
79.05498	11.9
80.03746	1.7
80.04996	1.3
80.05842	0.7
80.40399	0.7
81.04546	100.0
81.07077	1.0
82.04883	2.4
82.05338	6.1
85.88789	0.8
91.05481	13.0
93.07048	43.9
94.06578	2.0
94.07410	1.2
95.04989	5.1
95.06097	12.7
96.04454	1.3
98.26877	0.8
103.05500	3.5
105.04536	2.4
105.07035	16.0
106.04072	1.6
106.06590	0.9
107.07339	7.8
114.40037	0.9
119.08608	2.6
120.05599	9.2
120.55578	1.0
121.02905	3.3
121.04017	2.2
121.05151	1.6
121.06413	39.8
121.07741	1.9
121.10151	19.9
122.06114	4.2
122.07166	85.9
122.09671	21.2
122.10503	1.5
123.08111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87149	0.5
58.99844	0.9
70.79280	1.1
73.44558	0.4
77.00902	1.2
82.01443	13.0
83.01503	0.7
93.25597	0.5
95.04955	1.8
96.10669	0.4
100.02484	100.0
101.00887	4.2
101.02573	4.6
118.03525	81.4
119.01924	34.2
119.03603	3.3
123.04037	2.9
124.02499	0.4
137.01968	1.1
137.02963	14.4
141.05075	3.1
142.03505	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03942	2.8
54.03471	9.2
55.05500	2.3
56.05043	0.8
58.02949	1.4
65.03927	1.0
67.02982	1.0
67.05482	1.3
68.05011	1.8
71.47380	1.2
71.47726	1.1
79.05499	11.0
79.18816	0.8
80.00819	1.5
80.05034	2.0
81.04543	64.6
81.07034	1.5
82.04865	1.8
82.05312	9.6
85.07670	0.9
91.05486	13.4
93.04514	1.6
93.07045	39.5
94.06569	2.0
94.07363	0.9
95.04979	6.2
95.06094	13.7
97.93609	0.9
103.05468	2.9
105.04527	4.8
105.07033	16.7
106.04025	1.6
106.07839	1.2
107.07336	9.3
113.91845	0.9
119.08569	2.1
120.05570	6.1
121.02840	1.8
121.04021	1.1
121.05095	1.6
121.06406	18.8
121.07603	4.1
121.10131	14.4
122.07156	100.0
122.09657	19.4
122.10451	1.0
123.08070	2.8
133.07671	1.1
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
51.02378	1.4
53.03948	7.5
55.01878	0.7
55.05513	6.8
56.16397	0.6
65.03955	1.5
67.05518	1.5
71.60693	1.2
77.03926	1.2
79.05493	44.1
79.15598	0.6
80.05823	1.5
80.06252	1.3
81.04551	1.0
81.07059	3.9
81.81538	0.6
90.95141	0.7
91.05484	41.2
92.05795	0.9
93.07047	100.0
94.07362	4.8
95.04978	17.5
102.16763	0.6
103.05470	15.5
104.05815	0.7
105.04514	2.9
105.07033	88.8
106.07903	7.3
107.07336	4.9
119.08582	13.6
120.08997	0.7
121.02841	1.6
121.04033	1.4
121.06534	6.8
121.10146	92.5
122.06012	1.2
122.07129	2.9
122.09658	11.5
122.10493	5.2
123.08072	13.0
124.08375	0.7
133.07600	4.3
133.55396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
52.66144	1.4
53.03947	11.0
54.03476	7.1
55.05508	6.8
65.03928	2.3
66.56339	1.4
66.92064	1.3
67.05486	2.3
68.05017	2.4
70.06571	2.0
70.65440	1.4
70.65777	4.4
77.03905	1.6
79.05492	47.9
80.05015	2.2
80.05827	2.7
81.04539	19.9
81.07042	2.5
82.05326	20.7
82.99962	1.4
84.90926	1.4
91.05479	35.0
91.79061	1.6
93.07046	100.0
94.06586	1.6
94.07372	5.0
95.04975	15.4
95.06089	9.2
98.04768	1.4
103.05482	15.8
104.05809	1.7
105.04495	5.8
105.07030	86.7
106.06590	1.8
106.07833	4.7
107.07333	28.9
119.08572	10.7
121.02856	5.7
121.04032	2.0
121.06495	13.0
121.07612	1.9
121.10146	68.7
122.07156	90.7
122.09669	62.6
122.10479	5.3
123.08047	12.9
133.07593	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02364	1.4
52.31056	1.4
53.03955	7.3
55.05502	6.3
57.86297	1.4
60.55890	1.6
70.54634	4.8
77.03906	1.8
79.05498	47.8
80.05799	2.2
81.07053	4.1
91.05489	38.6
93.07049	100.0
94.07372	3.3
95.04981	18.7
103.05474	12.2
105.04516	4.1
105.07034	84.8
106.07885	6.9
107.07333	3.9
119.08596	12.2
121.06527	4.0
121.10149	90.7
122.09681	6.1
122.10499	3.5
123.08068	12.3
133.07611	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03935	8.3
55.05502	6.1
69.64157	14.9
77.31754	2.0
78.37115	1.9
79.05495	42.1
81.07061	4.8
88.73030	1.8
91.05484	41.5
93.07046	100.0
94.07389	3.6
95.04956	15.0
103.05463	12.9
105.04527	4.5
105.07037	78.3
106.07815	7.0
119.08564	12.9
121.06522	3.6
121.10146	86.2
122.10470	4.2
123.08039	10.5
133.07585	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	0.4
51.02379	1.6
53.03948	12.2
53.59832	0.5
55.01868	1.9
65.03939	1.0
70.24640	2.0
77.03927	2.7
78.04718	0.5
80.52695	0.6
81.03419	1.6
91.05482	45.6
92.05817	1.4
93.07043	50.7
94.07378	2.0
95.04968	27.9
96.05302	0.7
100.02489	0.4
102.04709	0.9
103.05468	63.7
104.05779	2.3
105.04514	5.3
118.03512	0.5
121.06505	100.0
122.06828	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02378	1.3
53.03704	0.8
53.03947	12.8
54.09538	0.5
55.01862	2.2
56.67993	0.7
56.96569	3.2
63.71302	0.5
65.03930	1.0
67.05489	0.7
69.92641	1.3
69.93065	1.5
77.03916	2.1
78.04720	0.7
81.03418	1.8
91.05479	41.9
92.05817	0.7
93.07044	49.7
94.07360	1.3
95.04967	26.2
98.01300	0.9
98.21393	0.8
100.02508	0.6
103.05468	59.0
104.05811	1.8
105.04508	5.5
116.98600	0.7
119.01873	0.7
121.06504	100.0
122.06822	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	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02715	0.9
53.03923	2.1
59.07360	1.1
60.07706	1.4
62.38866	0.8
62.40110	1.0
65.03924	1.9
71.37925	2.1
78.04681	1.2
79.05487	6.5
88.41663	0.9
91.05478	81.2
92.05788	2.6
93.07037	5.7
95.04960	3.3
96.05264	1.7
97.42956	1.1
103.05472	10.2
104.06264	8.3
105.04517	1.3
108.61405	1.0
109.06542	1.6
115.05441	3.7
117.07019	31.3
118.07333	1.4
119.08561	100.0
120.05609	2.1
120.08865	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	120.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
55.01867	6.9
55.05500	10.0
56.05026	5.8
56.96567	72.0
57.03425	10.8
58.99857	3.3
59.04992	8.8
59.06108	8.6
59.52194	3.4
60.04528	28.5
60.06445	9.1
60.95855	20.3
61.02912	5.3
63.47826	2.4
65.03945	15.9
66.03465	2.6
67.05491	4.3
68.00265	2.8
68.05032	5.3
68.52706	4.1
69.03082	2.8
69.03430	43.9
70.03743	5.1
71.02977	5.8
71.04975	11.0
71.53050	2.9
71.57639	3.4
72.02831	4.0
72.04513	15.0
72.52962	7.7
73.05286	5.0
73.06567	3.5
74.06070	11.1
76.51591	3.2
77.00888	8.5
77.02945	5.6
78.04709	2.4
78.52972	5.2
79.00658	4.9
79.03010	4.6
79.05488	6.0
80.06236	2.5
80.52712	31.4
81.02824	2.6
81.03406	7.9
81.04503	3.5
81.53484	3.0
82.01435	10.3
83.00784	3.6
83.04967	10.0
84.01194	4.5
84.04498	7.6
84.51317	3.0
85.51962	5.6
85.53752	12.3
86.03482	3.9
86.52711	22.5
86.53548	3.0
87.02780	3.9
87.04279	3.5
87.52596	3.1
87.53465	11.7
88.02671	3.6
88.53326	3.8
88.53814	2.9
89.00774	5.1
89.03477	3.4
89.53210	3.4
91.05482	13.0
91.53728	5.9
92.03524	7.5
92.05007	9.2
92.05799	12.1
93.01894	4.3
93.04518	8.1
93.07040	9.4
93.53445	2.8
94.03537	7.2
94.15289	2.7
94.51576	2.5
94.52493	5.1
94.53345	3.3
94.54260	8.9
95.04353	2.5
95.04974	5.9
95.06101	3.2
95.53212	14.3
96.53545	12.8
97.01646	2.4
97.02272	4.3
97.02869	7.1
97.03539	3.0
97.04540	3.4
97.53740	3.3
97.54277	5.8
97.99150	2.5
98.01297	12.2
98.03450	3.8
98.04042	3.8
98.97567	6.4
99.53466	5.9
100.02484	86.7
100.54265	26.3
101.00875	6.5
101.02551	21.9
102.02242	60.4
102.05540	3.9
102.96925	2.4
103.02480	5.7
103.05471	4.3
103.53716	7.7
104.52708	4.3
105.07034	4.9
105.54025	9.4
106.02680	19.7
106.03294	2.7
106.04155	5.7
106.52879	4.4
106.54211	3.4
107.01787	5.2
107.02498	3.4
108.03274	3.5
108.05676	4.2
108.53081	3.7
108.53976	6.5
109.05088	2.7
109.52116	4.3
109.54770	18.2
111.03078	5.4
111.04408	11.1
112.05006	4.9
115.01245	4.2
115.02449	4.3
115.03195	3.9
116.00230	3.6
116.98605	9.9
117.04041	2.9
117.05664	4.9
117.53468	10.5
118.03527	100.0
119.01127	4.2
119.01919	37.2
119.03610	28.4
120.02023	54.8
120.03265	74.5
120.04498	11.5
120.05584	47.5
120.06456	4.1
120.08086	5.9
120.97916	6.4
121.01675	49.0
121.02723	13.5
121.03362	2.8
121.04082	4.4
121.06483	10.0
121.07604	4.5
121.10189	3.0
123.03213	4.7
123.04031	5.9
125.03778	4.8
126.03978	3.2
127.01538	4.0
129.04021	7.4
131.01923	6.5
132.05081	5.1
133.03485	10.3
134.01273	3.1
134.99658	10.6
135.03188	4.4
135.05067	6.8
136.04517	4.9
137.02979	17.1
138.03056	54.5
138.04187	4.6
138.98917	7.7
139.02695	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
56.34063	0.8
56.51728	0.7
65.03929	2.0
71.18300	1.0
71.18678	2.1
75.58208	0.7
79.05492	4.9
84.31351	0.7
91.05482	84.4
92.05809	2.7
93.07046	4.2
95.04956	2.5
103.05468	9.1
104.06261	8.8
109.06493	1.2
115.05455	4.2
117.07018	34.4
118.07360	0.8
119.04926	1.2
119.06042	2.1
119.08576	100.0
120.05563	2.1
120.08916	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03940	2.0
63.30976	1.0
65.03926	1.9
70.35007	3.6
79.05513	4.9
83.50861	0.9
91.05486	82.4
92.05820	3.1
92.14778	0.8
93.07030	5.2
95.04975	2.6
96.05321	0.9
96.45869	0.7
97.59467	0.8
103.05477	10.3
104.05681	1.0
104.06271	8.6
109.06519	2.2
115.05444	4.1
117.07021	34.4
117.07854	1.8
118.07336	1.3
119.08584	100.0
120.08935	4.5
121.06477	0.9
121.68626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
65.03922	2.7
65.09695	1.3
71.60483	2.1
71.67794	1.0
79.05493	5.6
80.49818	1.2
91.05492	71.3
92.05808	1.2
93.07035	4.7
95.04955	3.0
96.05346	1.6
103.05474	9.1
104.06255	9.1
109.06551	1.5
115.05473	5.6
117.07034	24.2
119.08574	100.0
120.05614	1.3
120.08912	4.3
126.08185	1.3
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	Unknow
Peak:m/z	Relative Intensity
52.00976	0.9
53.03938	2.1
65.03934	2.1
70.72157	2.9
79.05486	3.9
89.08563	0.9
91.05483	80.6
92.05813	2.4
93.07048	4.8
94.65181	0.9
95.04993	3.0
103.05472	8.5
104.06241	7.6
115.05471	4.4
117.06213	2.2
117.07017	31.0
118.07401	1.2
119.08582	100.0
120.08921	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03939	1.8
58.40393	0.8
60.33800	0.8
65.03931	1.5
69.57265	5.9
78.04703	1.1
79.05495	5.3
91.05481	77.7
92.05807	1.5
93.07053	4.6
95.04986	2.3
103.05469	9.4
104.06268	8.8
109.06509	1.6
115.05450	3.4
117.07015	38.4
118.07363	1.0
119.08581	100.0
120.08937	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.28233	0.5
50.57697	0.6
53.03940	1.7
65.03927	2.1
66.65043	0.5
70.12579	0.6
78.04708	0.9
79.05503	5.6
87.61243	0.7
91.05480	66.4
92.05799	1.9
93.07030	4.8
95.04965	3.5
96.05315	1.3
98.20694	1.3
103.05471	7.4
104.06256	7.7
109.06506	1.5
113.86915	0.6
115.05437	3.3
117.06211	1.4
117.07020	18.5
119.06833	2.0
119.08578	100.0
120.05583	1.2
120.08888	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03953	0.9
65.03925	2.2
65.98710	0.9
67.75537	0.8
70.93808	1.3
70.94164	1.8
79.05495	6.1
91.05482	71.2
92.05808	1.4
93.07038	3.9
95.04977	4.0
103.05460	7.5
104.06272	7.2
109.06532	1.1
115.05456	3.2
117.07015	21.8
118.07345	1.0
119.08585	100.0
120.08937	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.06534	0.6
51.70139	0.7
53.03935	1.5
65.03926	2.1
68.52825	0.7
69.27238	6.9
69.27653	1.4
79.05499	5.2
91.05481	66.0
92.05837	1.1
93.07036	4.7
95.04964	2.1
96.05321	1.7
103.05470	9.4
103.27111	0.6
104.06248	8.7
109.06467	0.9
110.08739	0.6
115.05460	3.7
117.07016	29.1
118.07337	1.3
119.08580	100.0
120.08911	3.8
121.06441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	1.0
57.44705	0.5
57.82368	0.5
58.06604	1.4
59.06121	12.9
59.06942	1.0
59.07367	1.4
60.04522	1.6
60.07718	1.5
61.02927	0.5
61.76723	0.5
62.65499	0.4
65.03943	12.1
70.87011	1.2
74.06075	1.5
74.94494	0.4
75.05592	0.6
77.03518	1.1
79.05497	0.7
87.05591	2.7
91.05482	100.0
92.05020	1.0
92.05826	3.5
95.04977	0.9
96.87759	0.5
103.05454	1.6
104.06255	1.2
116.17310	0.5
117.06995	2.6
119.04945	41.9
119.08560	10.3
119.08976	8.7
120.04500	0.9
120.05476	2.9
120.08112	1.2
120.08968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03943	2.0
65.03931	1.2
66.81830	0.6
68.82862	0.6
69.62615	2.2
69.63048	3.2
79.05495	4.3
91.05482	62.9
92.05805	2.0
93.03130	0.6
93.07034	4.1
95.04966	2.1
96.05305	1.8
98.21600	0.6
103.05466	8.6
104.06264	8.6
106.79049	0.7
109.06517	1.5
115.05466	4.0
117.07018	22.8
118.07355	0.8
119.06840	3.0
119.08579	100.0
120.08899	3.6
121.06516	0.6
136.24992	0.6
137.64859	0.6
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
51.40575	1.0
53.03930	1.6
57.89321	1.1
64.43932	0.9
65.03963	1.0
70.48515	3.6
79.05502	5.2
91.05480	83.4
92.05834	2.1
93.07038	5.0
95.04969	2.6
96.57101	1.0
103.05462	9.2
104.06252	8.3
113.10818	0.9
115.05468	4.0
117.07014	27.0
118.07388	1.9
119.04963	2.0
119.06063	2.7
119.08578	100.0
120.05601	1.3
120.08907	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	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
61.27127	0.9
61.41306	0.8
61.55079	0.9
65.03936	2.1
66.93226	1.0
69.41171	8.6
77.68945	0.8
79.05511	4.4
79.05903	0.9
81.75021	0.8
83.97743	0.9
91.05483	68.6
92.05009	4.1
92.05839	1.8
93.07054	5.6
95.04977	2.4
96.05324	0.8
103.05460	8.0
104.06253	9.2
107.35020	0.8
109.06466	1.2
115.05479	5.3
115.06160	0.8
117.06216	1.9
117.07016	23.6
117.07854	1.4
118.07345	0.9
119.08583	100.0
120.04479	2.7
120.08926	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
58.06597	1.0
59.06130	10.4
60.04530	2.0
60.07711	0.9
65.03944	15.1
70.85683	1.7
70.86040	2.0
74.06070	1.4
87.05590	2.3
91.05486	100.0
92.05818	3.4
119.04951	47.7
119.08549	3.2
119.08987	3.3
120.05410	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
56.05035	0.8
58.06581	1.5
59.06127	18.1
59.06926	2.3
59.07377	1.0
60.04515	2.3
60.05701	0.6
60.07714	1.7
61.02928	1.0
65.03947	7.8
69.47214	0.5
69.83182	2.1
69.83596	1.7
74.06092	3.2
75.05582	0.7
77.03529	1.8
79.05504	2.3
87.05586	3.7
91.05483	100.0
92.05004	0.8
92.05813	3.2
93.07033	1.2
95.04951	0.8
98.20901	1.2
103.05471	3.3
104.06248	2.1
115.05446	0.8
117.07008	7.0
119.04951	38.7
119.06801	1.4
119.08617	27.1
120.04467	1.3
120.05495	3.8
120.08170	1.1
120.08978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.87048	0.5
55.05511	1.2
56.05039	4.5
56.96564	2.9
57.03433	0.9
58.02953	0.9
58.06599	4.0
59.06124	72.3
59.06921	2.7
59.07384	1.6
60.04526	20.4
60.06451	0.9
60.07710	3.2
60.26736	0.4
61.02925	4.0
61.04881	0.5
62.06078	1.0
65.03941	7.7
69.57310	2.2
69.57718	1.0
72.04518	1.5
72.06902	1.2
72.08157	1.2
73.05296	0.7
73.08490	0.8
73.67590	0.4
74.06081	11.8
75.05599	4.1
76.04010	1.4
76.07656	0.8
77.03539	1.3
79.05502	2.3
81.35708	0.4
83.08612	0.7
83.50536	0.5
84.04506	1.2
85.07675	2.6
87.05587	12.7
91.05480	100.0
92.05004	3.9
92.05814	3.2
93.04543	1.3
93.07034	1.6
95.04964	0.9
96.02128	0.5
101.07146	4.2
102.05510	2.5
102.09178	1.0
103.05450	3.8
104.06264	1.0
104.52879	1.3
105.02647	1.1
109.06503	0.5
110.06062	0.6
115.05473	0.4
117.07018	3.1
118.78381	0.4
119.04944	23.1
119.06058	4.6
119.06870	1.5
119.08449	8.5
119.08978	15.1
120.04475	3.1
120.05586	9.1
120.08112	6.3
120.09014	1.3
121.04020	0.8
131.01273	0.7
131.86725	0.5
136.50066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21082	3.9
51.48352	3.4
56.96567	7.8
59.06127	46.9
60.04528	18.1
67.05525	4.5
69.03424	38.7
70.97304	10.6
75.05585	4.2
78.95289	4.1
82.01440	11.7
85.53725	4.7
87.05587	7.5
91.05463	26.5
93.53478	7.6
96.54048	4.1
100.02483	54.8
101.00888	12.7
101.02610	14.4
101.14512	3.6
102.02251	8.1
103.02456	5.0
104.52894	4.5
107.05238	6.1
116.05764	5.6
118.03522	40.3
119.01914	100.0
119.03619	15.9
119.06063	4.2
119.08563	7.0
120.02133	5.2
120.03264	9.3
133.03458	4.5
137.02953	58.6
138.03020	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01371	0.8
56.05030	1.6
57.39285	0.7
58.06597	2.4
59.06122	47.2
59.06936	1.8
59.07391	1.1
60.04523	6.6
60.07716	2.0
61.02919	2.5
65.03940	8.4
69.76576	1.8
69.76983	4.9
71.29517	0.7
72.04524	0.8
72.94141	0.6
74.06081	8.1
75.05614	1.2
77.03529	2.7
78.62316	0.8
79.05495	2.3
83.50541	0.9
85.07671	1.7
87.05592	9.1
91.05480	100.0
92.04990	1.4
92.05821	3.3
93.07034	0.8
94.68941	0.9
95.04969	1.6
96.05319	0.8
101.07159	1.2
103.05464	3.6
104.06217	1.2
109.06483	1.0
115.05553	0.8
117.07030	4.2
119.04950	28.7
119.06037	3.5
119.06880	2.6
119.08462	17.2
120.04486	2.1
120.05594	8.7
120.08118	4.5
120.08910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01352	1.1
83.04964	2.0
83.08611	1.1
85.02908	3.9
85.06558	0.9
91.05479	17.0
93.07046	15.2
95.04979	5.9
95.08604	10.6
97.02895	17.9
97.06540	1.3
98.65966	0.6
99.04442	3.7
103.03918	1.2
103.05466	2.8
105.03402	1.1
105.06290	0.7
105.07030	23.5
107.04951	4.0
107.08596	21.6
109.02879	78.9
109.06522	11.0
109.10162	7.0
110.03738	0.7
110.07303	0.8
111.00806	0.6
111.04436	4.8
111.08085	6.7
113.05997	1.9
115.03920	0.7
115.05458	3.9
117.07011	3.0
119.04935	1.9
119.08582	57.1
120.08909	1.5
121.02851	1.5
121.06514	6.3
121.09304	0.9
121.10150	16.8
123.04442	5.4
123.08064	18.1
123.08945	1.2
123.11716	3.9
124.08897	1.6
125.05987	1.5
125.09630	100.0
126.10005	2.0
127.03915	63.8
127.84060	0.5
128.04248	0.6
128.06230	4.4
129.06978	3.9
130.07759	1.2
131.04860	1.0
131.08556	2.5
133.02869	0.7
133.06474	6.0
133.10129	49.3
134.10439	0.9
135.04431	1.6
135.08034	2.2
135.11699	5.8
137.05980	4.8
137.09586	7.1
139.03883	4.1
139.07518	1.4
141.06985	1.1
142.07797	0.8
143.08569	8.4
145.04968	7.2
145.06499	2.6
145.10117	4.1
146.07178	0.8
147.04422	10.5
147.08047	30.5
147.11641	1.1
148.08752	0.9
149.02351	2.3
149.05991	2.4
149.09647	1.4
151.03917	7.0
151.07545	3.2
151.11206	6.3
153.01794	1.2
157.06529	3.1
157.10104	1.7
159.08028	1.3
159.11705	2.1
161.05978	7.8
161.09619	36.4
162.09979	1.2
163.03922	6.7
163.07555	1.1
163.11179	5.2
165.05487	4.9
165.09114	35.9
166.09442	1.1
167.08583	1.1
169.04941	2.5
169.06313	0.6
169.10143	1.1
171.04422	3.9
171.07967	3.7
171.11708	1.0
173.05962	1.3
173.08176	1.1
173.09482	0.8
173.13275	1.0
175.03941	3.3
175.07533	3.7
175.11183	2.0
176.99515	0.5
177.05476	2.2
177.09167	0.6
177.12706	0.6
179.07173	1.2
179.10678	28.8
181.05023	0.9
181.06482	1.0
181.08594	0.7
183.11673	1.3
185.05959	4.0
185.09671	1.2
185.13202	0.5
187.03839	3.7
187.11208	1.4
187.14870	0.8
189.05479	22.7
189.09088	28.3
190.09450	1.1
191.03383	2.3
191.07083	0.9
191.10605	0.6
193.04984	11.5
193.10242	0.6
197.08096	4.4
197.09657	0.9
197.13338	0.9
199.03894	2.1
199.07503	1.5
199.11214	0.7
201.05537	2.6
201.09120	0.9
203.03453	0.9
203.07040	4.3
203.10622	1.0
205.04947	1.8
207.10167	40.6
208.10378	0.9
209.06049	0.9
211.11078	0.7
211.14787	0.8
213.05460	10.6
213.09108	1.1
213.12860	0.6
215.03455	1.2
215.07144	0.6
215.08961	0.7
215.10800	1.0
217.04967	66.9
218.05296	1.9
219.06517	1.3
219.13675	0.7
221.08095	7.5
223.07593	0.8
225.11208	48.5
225.16052	1.1
226.06091	1.1
226.11552	1.3
227.07039	3.0
227.14424	1.0
227.17940	0.7
229.04941	3.0
229.12354	0.6
229.15878	2.2
231.06567	2.5
233.08192	0.7
233.11719	1.1
233.15393	0.6
235.06000	35.8
235.14758	0.8
237.05389	0.7
237.11124	0.7
239.06941	0.9
239.09131	10.7
241.04959	23.7
241.08723	2.2
243.17505	1.0
245.04427	1.2
245.08087	3.4
249.11200	7.9
251.06929	0.9
253.15909	2.1
255.06502	7.1
257.04379	0.9
257.18823	0.7
259.06030	19.0
259.09656	2.3
263.09146	16.5
265.05228	0.8
267.12274	25.7
267.17163	1.2
269.08151	3.2
269.11676	0.6
271.17038	4.2
273.07480	0.7
279.06577	1.4
283.06036	18.3
283.09412	1.6
284.06473	0.8
285.18542	2.7
287.09143	17.1
287.12460	1.0
288.09732	0.7
289.17935	5.1
295.16989	1.6
297.07532	2.5
299.09183	0.6
301.07062	11.6
301.10184	0.6
302.07080	0.8
303.19580	1.5
305.10211	11.3
307.06122	3.2
311.09094	5.0
313.18015	5.9
315.12332	1.8
323.11435	0.6
325.07120	6.2
325.10580	1.2
329.10214	11.1
331.19034	34.1
332.19421	1.4
333.13391	7.4
333.20502	0.6
334.20987	1.4
343.08218	2.1
347.11221	0.7
349.20102	28.7
350.20471	0.8
351.14407	7.6
353.10233	4.3
367.21103	1.9
371.11316	4.5
373.20175	1.1
391.21140	81.4
392.21490	4.2
395.11249	3.1
409.22162	3.8
413.12094	1.0
421.22095	2.5
423.14349	0.7
433.22247	3.5
439.21204	2.8
441.15234	1.0
445.21756	0.7
451.23291	15.8
457.22235	57.7
458.22516	3.8
475.23328	41.7
476.23535	3.1
493.24295	6.1
499.23395	0.7
521.27814	1.1
531.16559	0.9
535.25500	1.1
545.27405	3.6
547.23425	1.0
563.28650	6.7
565.24268	12.7
566.24591	0.9
577.25269	0.7
583.25452	8.6
589.24249	4.2
601.26654	2.5
607.25256	1.7
613.23798	0.9
631.25244	4.8
635.28088	2.1
649.26489	3.1
653.29529	4.7
655.24902	1.8
659.28101	1.2
671.30609	15.2
672.30475	1.7
673.26587	2.6
677.29156	1.1
683.28729	0.9
689.31451	1.4
691.27393	3.0
695.30505	3.7
701.29388	1.4
709.28265	1.8
719.29913	1.7
737.31232	2.0
743.30084	2.2
761.31714	5.4
779.32983	2.9
931.44452	0.8
949.44763	1.7
967.46198	1.3
985.48578	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	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
51.02377	1.0
53.03938	1.7
58.06596	26.6
58.28374	0.6
59.06122	18.9
59.07378	25.7
61.02929	0.9
67.70335	0.6
70.17569	2.5
72.08153	2.4
78.01109	2.6
87.05582	2.9
91.05482	6.4
95.04971	4.6
102.96361	0.6
103.05481	0.8
103.63326	0.6
105.04515	1.0
107.61339	0.6
117.07008	2.1
118.06557	7.3
118.08649	100.0
119.08494	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	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
53.03949	0.9
58.06600	22.3
58.12834	0.4
59.06129	10.5
59.07383	23.9
69.37902	3.5
70.00586	0.5
72.08160	2.0
78.01118	2.3
81.34103	0.4
85.07677	0.4
87.05599	2.6
90.47233	0.3
91.05485	2.8
95.04996	0.9
100.11269	0.5
118.08659	100.0
119.06090	1.0
119.08987	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
50.26450	4.7
50.65978	5.0
53.03939	9.6
58.06596	50.9
59.06117	45.5
59.07378	47.1
61.66052	5.4
70.76556	16.8
78.01109	7.0
87.05559	9.4
91.05479	33.1
95.04943	13.4
118.06570	12.5
118.08655	100.0
134.79712	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	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
58.06598	32.1
59.06110	46.3
61.95176	12.7
70.83809	39.6
75.07851	11.9
91.05469	33.3
95.04918	15.8
118.08662	100.0
127.01995	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	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
50.38457	4.5
58.06596	26.7
59.07394	29.7
71.47073	5.0
71.47443	7.2
84.81554	4.6
91.05492	29.5
95.04951	12.7
107.23232	4.1
117.01089	4.4
117.06991	9.5
118.06519	18.9
118.07879	7.4
118.08656	100.0
119.08596	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
50.04478	1.1
53.03950	5.7
58.02950	2.2
58.06601	33.9
59.07384	30.8
60.07691	1.1
65.54702	1.2
70.15795	5.7
72.08151	2.5
74.32308	1.0
91.05481	20.1
93.64291	1.1
95.04961	10.2
103.05473	1.5
105.04549	1.5
117.07053	2.1
118.06551	19.0
118.08657	100.0
119.04948	2.6
119.06073	1.8
119.08519	12.8
124.27827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
55.05495	0.3
58.06599	21.8
59.07381	23.5
60.04478	0.2
60.07712	0.3
69.73425	0.9
69.73858	0.7
70.06574	0.3
72.08158	3.5
98.21378	0.3
118.08654	100.0
119.09010	2.2
119.75092	0.2
136.23448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10164	0.3
54.44258	0.3
55.05515	0.6
58.06601	21.1
59.07382	23.6
69.37063	3.2
69.37453	0.7
69.97639	0.3
72.08154	5.9
118.08659	100.0
119.09006	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
53.03928	5.1
58.06596	40.1
59.06124	15.8
59.07382	47.6
64.10846	2.5
65.82128	2.9
71.25816	6.0
87.05587	3.1
91.05473	12.0
95.04972	8.1
96.06049	3.0
118.06579	13.6
118.08653	100.0
118.12347	3.1
119.04920	3.6
119.08600	3.9
132.44501	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	118.0864
Annotation	Betaine
Peak:m/z	Relative Intensity
55.98716	0.7
58.06599	56.5
59.05001	0.8
59.06124	17.8
59.07380	55.5
60.07711	0.9
61.58165	0.7
66.68867	0.6
70.77274	1.9
78.01103	2.2
87.05588	4.2
91.05470	4.3
95.04963	2.1
118.06594	3.5
118.08650	100.0
119.04857	1.1
119.06035	1.3
119.09028	0.9
125.12977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02372	1.0
53.03712	1.1
53.03948	15.7
53.32448	0.7
58.06313	1.2
58.06600	20.1
59.06112	2.3
59.07383	21.6
60.20161	0.7
66.11391	0.9
70.15252	1.6
70.15668	3.0
72.08158	6.7
77.03519	1.2
77.03909	1.8
81.03401	1.0
87.05612	0.9
91.05488	8.9
95.04967	30.8
96.05304	0.9
101.50809	0.9
105.04509	5.9
118.06543	46.9
118.08652	100.0
119.06095	1.1
119.06886	1.5
119.08577	3.8
124.76432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.9
58.06599	21.2
59.07382	21.9
65.03932	0.4
67.45831	0.3
71.59914	0.4
72.08158	2.8
79.05494	0.5
79.71146	0.3
81.34478	0.4
91.05480	11.6
93.07010	0.4
95.04967	6.2
103.05455	0.8
104.06252	0.5
105.04525	1.1
115.05447	0.5
117.07022	2.6
118.06564	8.4
118.08654	100.0
119.04987	0.9
119.06058	1.1
119.06829	0.5
119.08528	9.9
131.99525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
58.06601	29.5
59.07384	30.3
60.07697	0.4
60.35656	0.3
71.18430	0.5
71.18769	0.6
72.08133	0.5
77.03904	0.5
81.03445	0.5
91.05487	5.9
91.40793	0.3
95.04974	5.3
102.67310	0.3
103.05476	0.8
104.06224	0.4
105.04531	1.1
109.71212	0.3
117.07000	1.6
118.06566	7.4
118.08655	100.0
119.08514	8.4
135.49142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01586	1.6
51.02374	3.4
53.03708	1.8
53.03944	28.2
55.01865	2.1
55.05502	4.0
56.05026	1.8
58.06597	18.7
59.07383	17.2
60.07693	1.7
61.96481	1.7
70.06580	4.4
71.59922	2.3
72.08148	29.0
74.06068	2.2
76.93382	2.0
77.03551	3.2
77.03922	3.9
79.05474	2.4
83.52343	8.4
86.59560	1.6
91.05478	100.0
92.52884	9.5
93.07034	2.8
95.03139	3.9
95.04962	57.4
95.92835	1.5
100.07675	1.8
103.05450	5.6
104.03651	5.4
104.06234	4.6
105.04517	10.2
106.53930	3.0
109.06533	1.7
111.03232	1.8
115.05431	3.0
117.07013	14.8
118.03210	2.0
118.06533	78.9
118.08646	91.7
118.12215	1.6
119.04990	7.4
119.06046	8.3
119.06874	5.5
119.08564	59.2
122.37139	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
51.55487	0.4
53.03949	5.2
55.01873	0.7
58.06305	0.4
58.06601	14.5
59.07384	17.9
65.03934	0.7
70.32281	0.3
70.86655	0.8
70.86990	0.5
71.70111	0.4
72.08163	1.8
77.03928	1.1
79.05495	1.2
81.03420	0.6
81.12297	0.3
83.52365	0.7
91.05485	19.9
93.07039	0.8
95.04973	12.2
101.62791	0.4
103.05462	2.4
104.06259	1.6
105.04534	2.4
115.05470	0.5
117.07018	7.3
118.06554	17.4
118.08657	100.0
119.06139	0.5
119.06866	0.7
119.08563	23.2
130.07249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02363	0.7
53.03949	10.2
54.23259	0.6
55.01854	1.1
55.05487	0.6
58.06598	21.3
59.07382	21.7
65.03944	1.4
71.25298	0.6
71.59702	1.2
72.08153	7.6
77.01666	0.6
77.03915	1.3
79.05489	1.9
83.52382	1.1
90.07388	0.6
91.05480	33.3
93.07037	1.2
95.04969	19.7
96.05280	1.0
103.05468	2.1
104.06241	1.8
105.04523	4.4
115.05433	0.7
117.07021	8.5
118.06545	29.1
118.08654	100.0
119.04925	1.7
119.06076	1.8
119.08560	29.6
134.23065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65105	0.5
51.50270	0.3
51.56623	0.3
53.03943	6.0
55.01857	0.5
55.05511	0.5
58.06599	26.0
59.07381	25.5
60.07705	0.4
61.35538	0.3
65.03944	0.4
69.44008	3.8
70.06585	0.5
72.08155	1.8
77.03934	0.9
79.05483	0.5
88.04786	0.4
91.05482	21.9
93.07062	1.1
95.04970	12.7
103.05463	2.2
104.06258	1.7
105.04512	2.5
115.05476	1.1
117.07023	7.3
118.06554	18.8
118.08654	100.0
119.04958	0.4
119.06113	0.8
119.06859	0.7
119.08556	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02385	1.2
53.03948	11.6
53.52932	0.7
58.06603	19.7
59.07384	20.4
69.67577	5.5
72.08150	1.0
77.03938	1.9
79.05480	2.2
81.03403	1.2
91.04904	0.9
91.05482	20.9
93.07043	1.7
95.04966	21.8
95.05563	1.3
98.20847	1.4
103.05479	2.9
104.06265	3.2
105.04508	4.9
115.05488	1.0
117.07020	6.7
118.06552	28.5
118.08656	100.0
119.06883	1.6
119.08569	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01588	0.5
50.59821	0.4
51.02376	0.7
52.59208	0.4
53.03704	0.5
53.03944	7.4
54.01758	0.4
55.01863	0.8
55.05496	1.4
58.06598	21.6
59.06119	1.3
59.07381	22.2
65.03925	1.4
65.42522	0.5
66.04726	1.1
70.06596	0.8
71.59545	0.9
72.04514	0.8
72.08153	7.5
74.06076	0.6
76.93356	0.8
77.03516	2.1
77.03934	1.0
79.05487	1.3
83.52367	2.5
89.03903	1.3
90.04691	2.6
91.05478	26.3
92.52876	1.9
95.03118	0.5
95.04964	15.8
103.05456	1.4
104.03637	0.8
104.06244	1.4
105.04529	3.0
109.06524	0.6
116.05798	0.5
117.07005	4.0
118.04157	1.7
118.06550	22.9
118.08649	100.0
119.04971	3.9
119.06067	1.7
119.06835	0.7
119.08531	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
51.20359	1.2
53.03951	18.8
55.05510	2.6
56.00048	1.1
58.06600	18.8
58.92378	1.4
59.07384	19.7
59.08312	1.2
70.06577	1.6
70.10886	6.4
72.08156	13.6
77.03924	3.1
79.05475	3.9
81.03411	2.7
83.52380	2.1
91.05484	72.3
92.52868	2.4
93.07040	2.6
94.31247	1.4
95.03146	1.5
95.04970	44.9
98.21486	1.6
103.05458	5.7
104.06244	4.1
105.04527	9.2
115.05446	2.3
117.07021	17.3
118.06548	65.0
118.08659	100.0
119.04926	3.7
119.06052	3.6
119.06841	3.2
119.08575	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02372	1.0
53.03745	1.1
53.03949	12.9
55.05484	1.0
58.06602	21.4
59.06100	2.8
59.07381	25.0
68.03960	0.9
69.57868	3.2
69.58295	4.7
69.76704	0.9
70.06575	1.7
72.08159	7.9
77.03913	1.8
81.88317	0.9
91.05486	17.4
91.64496	0.9
95.04968	26.5
96.05316	1.6
105.04517	5.3
117.07028	1.2
118.06545	65.1
118.08652	100.0
119.04922	1.9
119.06888	2.4
119.08588	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01585	2.1
51.02364	3.0
53.03948	31.1
58.06604	18.8
59.07384	19.6
68.60722	2.1
71.05317	4.8
72.08158	9.0
73.66964	2.2
77.03930	4.7
81.03401	2.8
83.52369	3.1
91.05483	46.5
93.07047	2.7
95.04974	62.9
103.05483	2.5
104.06276	2.9
105.04521	17.1
115.05408	2.6
117.07011	11.3
118.06551	99.4
118.08660	100.0
119.06105	3.1
119.06890	5.3
119.08573	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	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03703	0.5
53.03944	6.3
55.05500	0.6
58.06596	29.8
59.07378	30.8
60.07699	0.5
62.08931	0.5
63.90650	0.4
65.03925	1.0
69.43604	1.0
69.44007	3.8
70.06596	0.7
72.08144	4.4
75.79183	0.4
79.05466	1.2
81.03389	0.6
88.00959	0.4
91.05476	26.3
93.07036	1.3
95.04961	14.9
96.05270	0.4
98.21513	0.9
103.05460	1.5
104.06242	1.9
105.04499	3.0
113.71951	0.4
115.05454	0.8
116.05819	0.6
117.07014	9.0
118.06546	19.8
118.08646	100.0
119.04922	2.1
119.06068	1.5
119.08551	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	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.02391	1.5
51.54504	1.1
51.96484	1.1
53.03711	1.5
53.03947	24.3
55.01867	1.8
55.05502	2.7
55.19132	1.2
55.28537	1.0
58.06335	1.7
58.06601	18.3
59.07381	18.8
59.53141	0.9
65.03925	2.6
69.63192	5.9
69.63596	2.6
70.06578	2.1
71.94524	1.1
72.08156	16.8
77.03930	3.9
79.05493	4.9
81.00608	1.0
81.03419	2.7
83.52375	2.5
91.05483	94.0
92.52902	1.9
93.07039	4.0
95.04360	2.5
95.04969	51.6
95.70853	0.9
96.05317	2.2
98.21482	1.9
103.05448	9.7
104.06252	6.3
105.04510	11.0
109.06514	3.2
115.05460	4.4
116.05806	2.0
117.07021	37.4
118.06549	72.4
118.07264	2.8
118.08657	92.8
119.04922	2.3
119.06065	3.9
119.06853	3.8
119.08573	100.0
124.96812	1.0
137.29819	1.0
138.35725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.69022	0.4
51.02383	0.5
53.03949	7.0
55.01870	0.7
55.05496	0.5
58.06601	19.5
59.06120	3.6
59.07383	22.5
60.04532	0.7
69.54238	1.5
69.54655	2.0
70.06554	0.7
72.08157	5.3
74.06068	0.8
75.05578	0.5
76.93367	0.6
77.03514	0.6
77.03922	1.0
79.05479	0.5
81.03422	0.6
81.81707	0.4
83.52360	0.9
87.05611	0.6
91.05478	9.7
92.52875	1.3
95.04359	0.9
95.04967	17.2
95.72868	0.4
98.21575	0.5
103.05496	0.5
105.04501	2.9
107.89526	0.5
117.07044	1.3
118.06550	23.8
118.08655	100.0
119.04960	0.6
119.06080	0.5
119.06843	0.8
119.08617	3.9
119.98405	0.5
129.99113	0.4
130.08429	0.4
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
53.03956	0.3
55.01868	0.4
55.05512	0.4
56.05036	10.2
56.96566	15.0
57.03429	0.3
57.04570	0.2
58.06597	0.4
59.06128	1.9
60.04507	0.2
68.05021	0.4
69.03427	0.6
69.07076	0.3
69.38065	0.2
70.06592	100.0
70.11772	0.9
71.04993	4.7
71.05363	0.3
71.06924	1.8
71.48622	0.2
71.95260	0.7
72.04519	0.2
72.08166	1.2
73.02303	0.2
74.06067	0.4
74.93832	0.5
74.97607	0.4
75.05614	0.5
76.07639	1.1
77.00820	0.2
80.03539	0.2
81.03410	1.5
82.01427	0.4
83.00789	1.2
84.01563	0.3
84.04505	15.5
84.08118	0.2
85.04819	0.4
86.52698	0.2
87.09235	0.4
87.53517	0.2
88.07645	0.2
90.01549	0.5
91.02332	0.2
92.01303	1.7
92.53568	0.2
92.94881	0.2
93.03387	0.3
93.04267	0.3
97.02345	0.2
97.52102	0.7
98.06059	0.9
98.07170	0.4
98.09657	0.4
98.97585	10.0
99.04447	1.6
100.02492	2.3
100.07633	0.7
101.02582	0.3
102.02241	1.1
103.67070	0.2
104.52849	0.3
105.02108	0.2
109.02888	2.2
114.02558	0.3
115.96470	0.2
116.07092	18.0
116.10729	0.5
116.98621	10.6
117.06663	0.2
117.07432	0.6
117.10244	1.4
118.03511	1.9
118.12972	0.2
120.02026	0.3
120.03308	0.6
133.03448	0.2
134.99661	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01870	0.8
55.05520	0.4
56.05037	2.2
56.96548	0.5
57.03438	1.0
57.04546	0.6
59.03746	1.8
59.04998	5.0
60.04513	0.5
65.03951	0.7
68.05051	0.6
69.03431	7.1
69.07069	1.3
70.02934	0.4
70.06595	100.0
71.01341	1.0
71.05020	0.4
71.58159	0.7
73.02922	2.8
73.07680	4.0
74.06063	0.8
74.93832	0.6
75.05618	0.8
85.02917	3.7
87.04465	4.5
88.07626	0.6
89.03927	4.0
96.02084	0.4
97.02898	14.2
97.07671	0.7
98.06068	0.5
115.03972	10.9
115.05457	63.8
115.09494	1.3
116.04260	0.6
116.05805	4.0
116.07091	17.9
116.10761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01862	2.2
55.05501	1.6
56.05040	5.5
56.96554	2.0
57.03436	0.6
57.04555	1.9
59.03748	5.8
59.05003	9.4
59.06120	1.2
60.04535	0.9
63.02374	0.6
65.03924	1.5
69.03438	3.7
69.07073	5.0
70.02951	0.8
70.06597	10.1
70.07409	0.5
72.04515	0.7
72.93748	0.5
73.02921	4.6
73.04009	0.6
73.07677	11.9
74.02449	0.7
74.06086	2.3
74.93826	2.3
75.05607	1.7
83.01376	0.6
85.02901	1.2
87.04479	10.3
87.09232	1.1
88.04836	0.6
88.07635	2.3
89.03923	4.7
92.94872	1.2
93.03703	0.6
97.02911	1.6
97.06538	1.4
97.07666	2.2
97.54214	0.5
98.06066	1.8
99.05578	0.5
115.03975	15.2
115.05459	100.0
115.08696	1.9
115.09528	2.8
115.96412	0.8
116.05774	4.7
116.07104	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	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
53.03944	0.3
54.86208	0.2
55.05511	0.5
56.05037	14.0
56.96566	5.2
57.03442	0.4
58.06599	0.8
59.05005	0.3
59.06131	1.5
68.05035	0.3
69.03433	0.6
70.06592	100.0
70.16338	1.2
71.04642	0.5
71.04993	5.4
71.06931	2.1
71.68506	0.3
71.95247	0.4
72.08163	1.5
74.06104	0.3
74.93817	0.9
75.05647	0.3
76.07634	1.2
80.05037	0.3
81.03425	1.4
82.01466	0.4
83.00787	0.5
84.01618	0.3
84.04504	18.4
86.06082	0.3
91.53774	0.3
92.01299	0.5
97.52077	0.3
98.06055	0.6
98.97593	3.4
99.04438	2.3
100.02457	1.4
100.07633	0.8
101.54042	0.3
102.02210	0.5
109.02898	1.9
110.03164	0.3
115.01265	0.3
116.07092	17.8
116.10799	0.4
116.98618	3.3
117.07407	0.3
117.10278	1.7
118.03548	1.4
119.03613	0.3
120.03252	0.5
133.03513	0.3
134.64882	0.3
134.99669	2.0
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
53.03946	0.8
55.01875	0.4
55.05517	0.4
56.05041	2.7
56.96574	0.9
57.03438	0.6
57.04551	0.9
59.03746	3.1
59.05004	6.0
60.04523	0.6
65.03947	1.7
69.03429	2.3
69.07076	2.2
69.37614	3.8
70.06593	100.0
70.10977	0.3
71.05010	0.6
73.02914	1.5
73.07680	5.1
74.06085	0.8
74.93833	0.6
75.05585	0.6
83.01359	0.4
83.07755	0.4
84.04509	0.8
85.02914	0.8
87.04472	6.4
87.05591	0.5
88.07643	0.6
89.03915	3.9
97.02911	1.3
97.06544	0.5
97.07652	0.5
98.06071	1.0
115.03987	9.1
115.05456	68.0
115.08717	1.0
115.09526	1.8
116.05824	3.4
116.07088	18.1
116.10682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0761
Annotation	N-Vinyl-2-pyrrolidone
Peak:m/z	Relative Intensity
54.03474	1.1
55.11488	0.8
56.05037	2.0
56.96566	5.6
57.03426	0.8
58.06605	1.5
58.11249	0.6
58.75492	0.7
63.87212	0.7
67.03442	0.7
67.05496	3.0
68.05049	3.8
69.03429	46.7
69.07066	3.8
70.02961	1.3
70.06584	4.1
71.06123	1.1
71.53967	1.0
72.04488	1.4
73.05275	1.6
79.01869	0.9
82.06572	1.3
83.06120	1.8
84.04491	1.3
84.08143	14.1
85.07684	0.9
86.06020	0.9
89.00249	2.8
94.06573	1.2
95.01332	1.7
95.06092	2.8
96.00842	1.0
96.04513	1.3
96.08139	2.5
98.00771	3.5
98.50854	0.8
98.97572	1.9
104.60605	0.8
112.03999	1.0
112.07609	100.0
113.00017	2.1
113.02367	18.0
113.03536	2.7
113.05996	1.3
113.07125	2.2
113.07942	3.4
113.10739	1.2
116.98642	1.2
117.95975	2.4
122.97434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.563
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	28.7
81.07060	26.6
83.01347	1.9
83.05003	9.3
83.08625	2.3
83.22780	1.1
85.02911	8.1
85.06551	1.4
85.48682	1.3
87.04451	1.7
91.05479	51.0
93.07043	43.8
95.04974	17.5
95.08607	32.9
95.09220	1.2
97.02891	29.2
97.06509	8.0
99.04456	7.0
99.08079	1.4
103.03953	1.3
103.05473	6.2
103.11081	1.2
105.03379	3.6
105.07033	72.8
105.16174	1.2
107.04964	14.1
107.08599	59.9
109.02882	58.1
109.06515	20.3
109.10157	55.7
111.00813	2.8
111.04438	28.1
111.08085	7.0
113.05989	3.9
115.03986	1.2
115.05446	9.6
116.06265	1.4
117.07027	14.1
119.04948	8.3
119.08582	100.0
120.08909	2.3
120.41083	1.1
121.02871	4.9
121.06515	19.7
121.10146	28.2
123.04416	13.9
123.08085	15.9
123.11707	11.3
125.06010	6.5
127.03918	92.5
128.06252	10.0
129.07014	11.3
130.07776	3.2
131.04910	2.9
131.08554	18.2
133.06494	37.3
133.10130	72.8
135.04408	3.3
135.08055	35.5
135.11665	12.0
137.05980	9.7
137.09607	10.5
137.13272	2.7
139.03902	50.6
139.07547	3.7
141.05457	2.4
141.06950	6.2
142.07797	4.8
143.08554	23.6
144.09322	1.7
145.04942	4.0
145.06485	7.5
145.10132	27.1
146.07224	1.9
147.04411	19.2
147.08051	42.1
147.09215	2.7
147.11673	10.2
149.02299	3.0
149.05989	9.2
149.09613	17.1
149.13326	1.3
150.03200	1.2
151.03911	16.7
151.07556	4.1
151.11159	7.4
152.06219	1.7
153.01779	2.7
153.05464	47.2
153.06734	2.1
154.07753	1.6
155.08546	6.4
156.09381	4.7
157.06534	9.3
157.10106	17.4
158.10843	2.0
159.08067	6.7
159.11676	17.8
161.06012	12.2
161.09625	46.8
161.13217	2.6
163.03914	22.9
163.07483	6.1
163.11183	16.9
163.14923	1.4
165.05482	17.5
165.06955	4.1
165.07663	2.0
165.09108	41.1
166.07800	4.4
167.08485	2.1
167.10773	1.5
169.04987	4.0
169.06352	1.9
169.10098	8.6
170.10866	2.5
171.04399	4.5
171.08095	8.9
171.11702	18.5
173.05981	4.1
173.08138	6.8
173.09619	7.8
173.13264	9.5
175.04027	6.2
175.07590	10.4
175.11166	6.7
175.14799	2.7
176.11928	1.4
177.05484	30.2
177.09103	4.0
179.03304	1.8
179.07071	4.0
179.08464	2.7
179.10677	25.5
181.04990	2.0
181.08627	2.5
181.10132	12.4
181.12222	2.0
182.07227	1.2
182.10892	2.1
183.11769	4.7
184.08759	2.1
185.06061	5.9
185.09641	15.0
185.13214	8.4
187.03868	5.3
187.07568	2.4
187.11195	7.5
187.14841	4.5
187.30568	1.4
189.05470	28.3
189.09090	34.4
189.12697	3.8
189.16458	1.5
191.03333	1.9
191.07018	16.9
191.08600	2.5
191.10683	7.0
193.04968	26.9
193.08565	4.4
193.10164	2.1
194.10944	2.4
195.08125	1.8
195.11714	7.9
197.06258	1.7
197.08116	5.3
197.09647	4.9
197.13264	5.2
199.03825	1.4
199.07539	4.9
199.11169	34.3
199.14757	8.4
201.05482	10.5
201.09106	2.5
201.12724	6.1
203.07080	11.5
203.08621	1.8
203.10583	6.3
203.14357	2.0
205.04953	7.4
205.08620	8.0
205.12341	2.9
207.06572	1.5
207.10155	42.8
207.11969	3.0
209.08076	5.5
209.11690	4.1
209.13327	4.7
211.11183	2.5
211.14819	5.1
213.05531	14.5
213.09161	2.9
213.12746	5.9
213.16362	1.8
215.03517	2.0
215.07024	7.5
215.09145	5.3
215.10901	2.3
215.14375	1.8
217.04974	77.0
217.08583	4.4
217.12210	18.9
218.05348	1.8
219.06491	9.4
219.10068	3.0
219.13815	4.3
221.08078	13.5
221.11757	4.5
222.14075	2.0
223.09648	4.1
223.14856	2.4
225.11211	86.7
225.16222	3.2
226.05966	1.4
227.06924	7.9
227.10672	2.7
227.14355	1.7
227.17964	3.8
229.04947	7.7
229.08618	5.0
229.12294	1.7
231.06564	4.7
231.10201	3.7
231.13840	3.6
233.08084	3.3
233.11757	3.3
235.06018	38.6
235.09593	2.2
235.13101	9.7
236.15497	2.0
237.16394	5.1
239.07001	2.3
239.09096	21.9
239.14359	2.6
241.04962	30.7
241.08594	5.5
241.12224	3.9
241.15974	2.2
241.19572	1.8
243.06496	7.1
243.10162	3.7
245.08087	7.7
245.11739	3.1
247.05949	1.7
247.09689	4.1
249.11320	4.9
251.17960	4.7
253.07141	2.9
253.15976	1.9
255.06578	8.8
255.10156	3.8
255.13953	2.5
255.17430	4.9
257.08212	2.6
259.06006	22.6
259.09634	4.0
259.13385	3.9
261.07642	3.9
263.09152	33.9
265.08624	2.3
267.06461	1.7
267.09674	2.8
267.12292	30.6
269.08130	6.5
269.19003	9.0
271.06146	1.6
271.09723	1.8
271.17218	1.5
273.07355	1.7
273.11475	1.6
273.14865	1.9
273.18512	6.3
275.08997	2.3
279.06497	1.6
279.17471	5.8
281.07883	1.8
283.05997	16.7
283.09460	3.4
285.07590	2.9
287.09140	30.0
287.11835	1.1
287.16431	3.0
287.20059	11.7
295.09546	1.9
295.16833	1.8
297.11148	2.3
297.18475	33.8
299.09213	2.0
301.07062	12.1
301.10413	2.2
301.18051	1.9
305.10254	17.2
307.06168	1.8
307.09500	1.8
309.07712	1.6
311.09280	7.7
313.10529	2.3
313.17990	4.6
315.19547	91.3
316.19937	1.9
323.11316	4.6
325.07007	5.0
325.10532	1.6
325.14386	2.2
329.10190	17.7
331.19016	6.0
333.13364	17.3
333.20590	18.1
339.12241	2.4
339.19247	1.6
343.08270	2.6
347.11105	2.1
351.14493	10.8
351.18680	2.3
353.10089	4.0
357.20667	7.0
369.20718	6.0
371.11188	4.7
375.21686	28.5
393.20941	1.9
395.18460	3.2
399.21741	2.6
404.09946	1.4
405.20605	3.2
411.21603	1.5
411.67526	1.4
423.21634	17.1
435.23862	8.4
441.16330	3.0
441.22733	74.5
442.22931	2.7
459.23785	32.9
465.22882	8.0
471.23932	1.9
477.17682	2.2
477.24557	5.5
483.23685	3.9
493.25824	2.3
501.24951	15.7
503.24078	3.2
507.23535	4.7
511.27084	13.1
521.25494	1.5
525.24548	3.7
529.27667	4.8
531.23840	5.5
535.26599	4.6
541.28113	1.6
547.29004	3.2
549.24915	38.5
567.25897	37.8
571.28784	6.2
573.24652	7.2
577.27667	2.0
585.18671	1.7
585.26917	19.9
591.25909	7.2
592.24817	1.5
601.27863	2.5
603.27948	13.9
609.26843	3.8
615.25592	5.0
619.29102	42.9
620.29065	2.3
633.26617	3.6
637.30115	23.6
638.30347	1.6
639.25714	2.1
655.31171	20.6
657.26416	3.4
661.30457	3.0
669.28369	1.4
673.32349	14.3
675.27710	5.4
679.30920	4.3
693.28943	3.7
697.31982	2.2
703.30786	2.5
721.31061	1.7
727.31006	1.9
745.32129	6.1
763.33423	7.0
781.34229	2.5
1077.50281	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	112.0509
Annotation	Cytosine
Peak:m/z	Relative Intensity
54.12126	0.3
56.05024	0.5
56.96569	5.6
57.93320	0.3
66.66420	0.3
67.02979	0.5
67.05500	0.5
68.01376	0.4
69.03458	0.4
69.04552	5.8
69.92516	1.2
70.02951	3.5
70.06592	9.7
71.94058	0.3
72.04547	0.3
73.37768	0.3
81.03410	0.4
83.05656	0.4
83.06107	0.3
84.04520	2.1
84.06422	0.7
88.51577	1.1
89.00284	0.4
89.52311	0.5
94.04048	1.5
95.02454	16.5
95.04895	0.4
95.06110	0.8
95.33089	0.4
96.00868	2.0
97.52086	2.7
98.21481	0.4
98.97594	0.4
100.02477	0.6
102.02267	0.5
106.52631	0.5
107.96464	0.3
109.02903	1.1
112.05090	100.0
113.00047	0.4
113.02323	0.5
113.03491	7.6
113.05421	1.6
113.07098	0.5
116.98610	0.5
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
54.20108	0.2
55.01872	0.7
55.04264	0.3
55.05525	0.4
56.05034	2.4
56.96566	4.8
57.03426	0.3
69.04548	1.0
70.06590	3.2
70.81297	0.8
71.04992	0.7
71.95256	0.2
72.04516	0.6
78.52969	0.3
79.01888	0.3
80.05038	0.3
81.04544	1.9
82.01430	0.6
82.05321	46.9
83.06100	58.6
84.04037	0.3
84.04501	5.6
84.06424	0.7
85.52127	0.4
86.03491	1.4
86.53577	0.3
87.02470	0.6
87.53483	0.5
88.00496	0.3
88.02380	0.2
88.51573	1.6
88.52445	0.3
88.53343	0.2
89.02811	0.3
89.53230	0.2
91.53101	0.4
92.03513	1.1
92.53568	0.2
94.04092	0.3
95.02453	1.7
95.03981	0.3
96.31654	0.2
96.53988	1.4
97.01023	0.4
97.02885	0.2
97.52096	4.8
97.52716	0.3
98.06056	0.3
100.02474	2.8
101.02554	0.4
101.03965	0.7
102.02245	0.3
106.52600	0.7
108.04781	0.3
111.05563	100.0
111.09177	0.7
112.05101	12.4
112.05882	1.8
114.04049	0.3
115.01181	0.3
116.98593	0.2
118.03524	2.3
119.03593	0.4
120.03254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.1
53.03948	1.4
53.92273	0.6
54.03475	1.7
55.05516	33.8
56.05045	0.9
56.05858	1.1
57.07082	1.7
58.06598	2.1
64.86133	0.6
67.05512	2.4
68.05030	4.6
69.04570	0.6
69.07073	100.0
69.52582	5.6
70.06597	18.7
70.07404	2.5
70.89370	0.6
71.06126	5.2
71.07398	1.1
78.77567	0.6
83.06116	1.3
84.05669	0.8
84.08138	1.2
84.14222	0.7
84.14709	0.5
85.07681	3.9
86.67201	0.6
87.00452	1.7
87.50558	1.9
88.00506	3.6
88.36593	0.6
94.06563	2.5
95.06089	3.6
96.06884	1.8
97.00996	4.2
98.00771	1.5
98.20776	1.2
98.51277	0.8
99.51288	1.5
108.51830	0.9
110.07152	2.2
111.04449	1.2
111.05563	2.1
111.06750	1.4
111.07461	1.5
111.09212	35.3
111.11720	1.1
112.05125	1.0
112.08742	42.2
112.09502	1.4
113.96406	1.4
115.96410	2.1
116.97200	0.7
119.41856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03940	1.5
55.01865	1.5
55.05513	28.3
56.05841	0.5
56.96551	0.9
65.03941	2.5
67.05507	0.6
69.03436	0.6
69.07062	0.8
69.49326	1.6
69.49751	2.1
70.06582	1.1
76.51601	0.6
83.04985	22.6
84.05323	0.8
85.52081	0.9
87.00471	0.7
88.00480	7.6
88.02360	0.6
88.50368	0.5
89.00248	1.1
93.03397	1.0
93.21527	0.4
95.40918	0.4
97.01007	11.0
97.51141	0.4
98.00782	2.0
99.51276	2.6
106.01540	0.9
107.01348	0.5
108.51781	1.0
111.04445	100.0
111.08058	1.8
111.09196	2.2
112.04068	0.8
112.04750	3.2
112.07629	1.6
113.96370	0.4
115.96452	4.1
116.97203	1.0
117.52180	0.4
117.95981	0.8
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
54.03485	0.4
55.05516	0.3
56.05033	2.0
56.96564	0.5
67.05569	0.2
69.04553	1.2
70.06588	5.2
70.94028	0.6
70.94396	0.6
79.43096	0.3
81.04530	2.1
82.05322	54.5
82.65067	0.2
83.06101	69.0
84.04499	0.9
84.05798	0.4
84.06435	1.0
95.02451	2.8
95.42712	0.3
95.77551	0.3
100.02480	0.5
102.94048	0.3
104.27048	0.2
106.94207	0.2
111.05563	100.0
111.09174	1.4
112.05102	16.8
112.05882	2.3
118.03576	0.3
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
50.98618	0.4
51.07047	0.4
56.05030	1.6
56.96559	0.5
58.97942	0.4
61.69595	0.5
69.04549	1.1
69.97456	2.6
70.06594	1.6
74.53484	0.4
81.04543	2.0
82.05320	48.7
83.06100	64.4
84.04508	0.8
84.06447	0.9
95.02508	0.6
111.05562	100.0
112.05093	3.5
112.05902	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14388	0.8
53.03946	11.8
54.64386	0.8
55.01854	3.7
55.05304	0.9
55.05511	9.8
57.24991	0.9
63.06175	0.7
65.03952	7.3
66.49141	1.1
67.02978	1.2
67.04266	1.7
67.05505	87.8
68.05027	14.8
68.05814	3.9
68.99396	0.9
69.03427	0.8
69.04549	6.3
69.05857	0.8
69.06725	0.9
69.07054	5.3
71.12334	1.8
71.93005	1.0
72.93784	4.7
74.54958	0.7
74.99842	1.0
76.38287	0.8
77.99934	3.2
79.05493	34.5
80.05003	1.0
80.05834	0.8
81.03423	21.6
81.07059	49.1
82.06586	11.2
82.07374	2.0
83.06094	1.6
86.00687	5.9
86.50616	4.9
87.00466	100.0
88.00697	1.1
89.50714	1.0
90.94819	3.3
91.05481	9.6
92.04986	2.2
94.04175	4.1
94.07812	0.9
95.01227	1.4
95.06163	0.9
95.51154	1.0
96.00985	17.8
97.51508	1.3
98.51259	12.1
107.04972	2.5
107.08604	2.2
108.95870	2.1
109.02886	6.5
109.06516	98.2
109.07652	29.1
109.10155	56.0
110.02064	1.0
110.06039	15.3
110.07142	21.1
110.07954	2.1
110.10490	4.2
111.04462	1.0
111.96878	2.9
112.96725	1.8
113.96403	37.5
115.20866	0.9
129.97911	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
76.22071	0.2
81.07000	0.1
94.28537	0.2
95.08550	0.3
160.19998	0.1
194.32265	0.1
284.17386	0.1
331.19397	0.1
337.27383	0.4
396.11987	0.3
397.13113	0.8
398.13269	0.1
409.13120	0.3
410.13647	1.1
411.14584	2.5
412.15131	2.0
413.16187	1.1
415.15027	0.2
422.13184	0.2
423.15054	0.7
424.16025	1.5
425.16309	4.7
426.16846	4.3
427.17761	1.0
428.18851	0.9
436.15457	0.2
437.12076	0.5
437.16956	0.3
438.12225	1.7
438.17636	0.5
439.13477	6.9
440.18924	3.0
441.19287	17.6
442.19556	1.9
450.48984	0.1
451.13367	0.3
451.18472	0.2
452.14322	2.5
453.15118	8.2
454.15878	2.5
455.15628	0.2
455.21277	0.3
457.14581	0.3
458.15613	0.2
459.20203	0.2
463.13986	0.3
465.15695	0.6
466.11807	0.1
466.17087	0.9
467.17184	14.8
468.17786	8.3
469.18808	7.3
470.18878	0.7
471.16608	0.6
472.17386	0.3
477.15521	0.3
478.15948	0.6
479.16080	0.2
480.14896	0.7
481.14734	8.3
482.15002	2.1
482.21786	0.2
483.16263	0.6
484.16907	0.5
485.19232	0.7
486.19342	0.2
487.19986	0.2
494.17502	0.3
495.16495	11.5
496.16995	17.5
497.17712	2.7
498.18658	0.5
499.15939	0.6
499.20154	0.2
508.19183	0.7
509.18445	1.8
510.18845	0.5
511.20090	0.2
512.20563	0.5
513.16797	0.8
514.16986	0.5
514.22174	1.1
515.19672	0.2
522.17847	0.7
523.20154	1.0
524.16486	0.2
525.17529	0.4
527.23792	1.8
528.18640	0.8
536.19336	1.1
537.19580	2.0
538.18433	0.5
539.19373	0.4
540.19794	0.4
542.21661	0.7
545.23834	0.4
551.19788	0.2
555.22430	17.9
556.22638	1.3
567.18567	0.3
568.19281	0.5
573.23358	0.3
582.20630	0.4
583.21869	54.5
584.22107	5.7
585.21411	0.4
586.20557	0.6
587.25275	1.1
599.21338	0.5
600.21686	0.5
601.22131	0.2
610.19995	0.4
611.20972	1.4
614.23547	0.6
615.24445	4.4
616.24261	0.2
642.23212	16.9
643.23804	100.0
644.23859	4.7
850.92615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03950	6.9
55.01877	1.2
55.05513	8.6
57.17746	0.5
65.03951	3.9
67.05506	100.0
67.53506	0.6
68.05832	2.9
69.07080	5.0
69.66356	3.6
79.05490	7.7
79.05917	0.9
80.06264	1.3
81.03422	14.5
81.07058	33.3
82.06590	1.2
82.07398	1.0
86.50638	3.6
86.51088	0.6
87.00468	9.0
91.05496	1.5
94.04170	1.4
94.07822	1.1
95.01235	0.8
96.00965	3.3
98.01430	1.1
98.51247	3.3
107.08572	3.6
109.02894	3.9
109.06528	10.4
109.10157	68.4
110.06039	6.9
110.07158	1.9
110.10493	2.6
112.96710	1.3
113.96403	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03946	4.7
55.05512	10.4
65.03931	4.0
67.05502	100.0
68.05825	2.4
69.07069	5.1
69.46911	4.3
69.47324	1.5
72.93784	0.8
79.05492	6.7
80.06241	1.2
81.03409	10.4
81.07053	35.4
82.06571	1.1
82.07400	1.0
86.00694	1.0
86.50605	4.9
87.00466	12.5
90.61232	0.7
91.05452	1.7
94.04160	1.3
94.07811	1.1
95.51130	1.4
96.00964	3.6
97.51484	0.7
98.01412	1.4
98.51234	3.5
107.08575	4.2
109.02868	2.7
109.06525	6.9
109.10148	66.4
110.06042	6.5
110.10476	2.1
112.96685	1.1
113.96400	4.9
115.97790	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03956	5.4
55.01850	0.9
55.05507	8.5
62.42220	0.7
65.03933	2.7
67.05503	100.0
68.05827	2.8
69.07066	4.0
69.61916	6.4
74.99807	1.1
79.05492	8.9
80.06268	0.9
81.03419	10.2
81.07056	31.2
82.07395	1.0
86.00701	1.1
86.50613	2.8
87.00465	10.8
91.05479	2.0
94.07825	2.9
95.51141	0.9
96.00996	2.9
98.51244	2.6
107.08592	3.3
108.53036	0.7
109.02886	2.4
109.06526	6.8
109.07666	1.4
109.10154	64.1
110.02026	0.9
110.06035	7.8
110.07124	1.1
110.10490	3.0
112.29428	0.8
112.96698	0.9
113.96386	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	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85951	0.6
53.03945	0.5
53.25301	0.5
53.66977	0.6
54.89792	0.5
55.05513	9.0
56.78754	0.4
65.03946	3.1
67.05506	100.0
68.05843	2.6
69.07069	5.9
71.05305	1.2
71.05646	0.6
75.44012	0.5
79.05496	6.4
81.03398	1.1
81.07059	30.1
81.65214	0.5
86.50626	0.7
87.00471	8.7
90.10129	0.6
94.07851	1.3
95.51096	0.6
96.00999	2.0
98.51262	1.9
107.08591	3.9
109.06551	1.0
109.10159	84.3
110.06017	1.1
110.10487	4.1
112.96782	0.7
113.96395	4.6
116.58321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.05509	10.0
55.14367	0.9
65.03953	4.3
67.05507	100.0
68.05831	2.7
69.07071	5.7
69.60410	5.8
77.99965	1.0
79.05492	7.2
80.06261	0.9
81.03410	3.5
81.07059	33.0
82.07346	0.8
86.00694	1.8
86.50625	4.4
87.00471	22.3
94.07849	1.0
96.00980	4.3
98.21479	1.4
98.51276	6.1
107.08585	3.9
109.02851	1.0
109.06516	4.0
109.10159	65.0
110.02103	0.9
110.06046	4.3
110.07134	1.3
110.10488	2.4
112.96664	1.4
113.96403	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.74351	1.0
53.03937	1.7
54.41322	0.9
55.05304	0.9
55.05516	11.1
65.03938	2.9
67.05505	100.0
68.05822	2.8
68.25569	1.0
69.07068	4.8
71.19736	2.3
72.82359	1.0
79.05492	6.9
80.06263	1.5
81.07056	30.3
81.77135	1.2
88.75400	1.0
89.06662	1.2
94.07839	1.3
107.08598	3.4
109.06493	1.3
109.10157	59.0
110.10432	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.4
65.03934	3.4
67.05505	100.0
68.05833	1.9
69.07059	4.5
69.52846	4.2
69.53271	5.3
79.05499	8.0
80.06245	1.1
81.03423	1.5
81.07057	30.8
91.05479	1.3
94.07813	1.2
107.08586	4.1
109.06496	1.5
109.10155	63.9
110.10509	1.7
113.30091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03944	5.5
55.05510	9.2
60.72048	0.6
65.03940	2.8
67.05502	100.0
68.05842	2.1
69.07069	5.2
71.47356	0.6
73.63811	0.7
79.05487	8.4
81.03419	8.5
81.07053	32.3
82.07378	1.2
86.50607	1.8
87.00463	10.1
91.05472	1.2
94.04179	1.2
94.07773	1.1
96.00992	2.6
98.01422	1.2
98.51247	1.9
107.08592	2.8
107.97298	0.6
109.02866	2.6
109.06511	4.7
109.10152	59.7
110.06045	5.6
110.07155	2.4
110.10482	2.8
112.96748	0.9
113.96391	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03950	5.3
55.05513	8.2
65.03937	4.6
67.05505	100.0
68.05019	1.4
68.05824	2.2
69.07069	6.8
70.66074	1.7
70.66460	2.0
73.09487	0.8
79.05497	8.1
80.06259	1.4
81.03411	6.6
81.07056	31.8
82.06566	1.0
86.00701	2.4
86.50627	4.3
87.00462	15.7
91.05457	1.5
96.00997	4.8
98.01409	1.3
98.21469	1.0
98.51272	4.5
107.08587	4.1
109.02894	2.3
109.06506	5.2
109.10152	60.4
110.06043	4.2
110.07151	3.9
110.10501	2.0
112.96666	1.3
113.96403	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03942	3.1
53.83441	0.8
55.05513	8.2
65.03936	2.4
66.33054	0.9
67.05508	100.0
67.32009	0.9
68.05833	1.9
69.07069	4.8
72.93769	1.7
77.99928	2.8
79.05490	7.0
80.06264	1.5
81.03427	4.2
81.07063	33.8
82.07378	1.2
85.70451	1.0
86.00695	2.8
86.50620	2.5
87.00472	35.0
91.05510	1.7
96.00995	8.1
97.51528	1.1
98.51263	11.0
107.08613	3.5
107.62715	0.9
109.06510	4.3
109.10159	64.6
110.06025	4.2
110.07157	2.2
110.10497	2.9
111.96832	1.3
113.95685	1.8
113.96415	17.1
124.65703	0.9
129.97958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02367	0.6
53.03936	4.4
53.17458	0.4
55.05508	7.8
59.10531	0.4
60.92657	0.3
63.27293	0.4
65.03942	3.3
67.05501	100.0
68.05026	0.9
68.05830	2.1
69.04549	1.0
69.07063	5.1
69.63366	2.5
77.99926	0.4
79.05492	6.5
80.06264	0.9
81.03411	6.4
81.07053	29.6
82.06577	0.8
82.07388	1.0
85.93084	0.3
86.00690	0.6
86.50619	0.6
87.00457	9.8
87.00960	0.7
91.05467	1.0
94.07817	1.0
94.87792	0.3
95.01183	0.3
95.51151	0.4
96.00966	2.3
98.01455	0.4
98.51248	1.7
105.07059	0.4
107.08597	3.3
109.02876	2.3
109.06519	4.2
109.07634	0.9
109.10149	64.3
110.06048	2.6
110.07166	3.4
110.10464	2.4
111.96903	0.5
113.96395	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	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.05510	8.7
56.87660	0.5
58.00919	0.5
65.03930	3.2
67.05504	100.0
67.11729	0.4
68.05035	0.7
68.05838	2.1
68.78008	0.4
69.04552	0.8
69.07062	5.2
69.31528	5.7
72.93803	0.5
73.92528	0.5
74.01305	0.5
79.05491	7.1
80.06290	1.2
81.03417	6.1
81.07056	31.5
82.07370	0.8
86.00689	0.9
86.50632	1.2
87.00469	9.9
91.05492	1.0
94.07829	1.0
96.00992	2.3
98.51265	2.5
103.04085	0.5
107.08588	3.9
109.02888	1.8
109.06520	2.2
109.10155	63.6
110.06039	2.2
110.07162	4.9
110.10508	2.1
111.96876	0.5
112.96709	0.8
113.96403	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03947	9.3
55.05511	9.8
65.03937	4.2
67.05503	100.0
68.05019	2.4
68.05832	2.1
69.04541	3.0
69.07062	4.2
70.90503	1.8
70.90874	1.7
72.93787	1.3
79.05495	7.2
81.03419	15.2
81.07056	33.3
81.11198	0.7
82.06567	2.7
86.00680	3.6
86.50604	2.8
86.99931	1.3
87.00465	26.2
89.53236	0.8
94.04205	1.0
94.07870	1.0
96.00980	6.7
98.51221	4.6
102.67482	0.9
105.26820	0.8
107.04931	1.1
107.08595	3.5
109.02885	5.3
109.06506	8.2
109.07633	3.8
109.10152	68.0
110.06053	9.2
110.07159	12.8
110.10484	3.0
111.96856	1.2
112.96728	1.3
113.96397	12.0
129.97893	1.7
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
53.03946	1.4
55.05513	8.8
55.32225	0.7
58.17822	0.9
65.03933	2.8
67.05506	100.0
68.05836	2.5
69.07063	5.9
70.89867	1.6
70.90203	1.5
75.22558	0.7
79.05493	7.1
80.06274	1.1
81.03423	3.4
81.07056	30.1
87.00470	6.7
91.05464	1.2
94.07788	0.9
96.00974	1.4
107.08614	3.5
109.02892	1.3
109.06509	2.6
109.10159	63.1
110.06014	0.9
110.07207	1.1
110.10477	2.8
113.96395	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.05516	8.6
55.29467	0.7
65.03936	3.8
66.49133	0.9
67.05505	100.0
68.05830	1.8
69.07068	5.6
69.96315	3.6
69.96732	1.6
74.14348	0.8
79.05489	5.9
80.06223	1.1
81.03411	7.1
81.07057	30.8
86.50603	1.6
87.00473	5.5
91.05498	1.0
92.88763	0.8
94.04195	0.9
94.07797	1.0
96.00948	1.9
98.51257	3.3
107.08591	5.1
109.02890	2.9
109.06511	5.4
109.10154	63.0
110.06030	4.4
110.10493	3.1
113.96420	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03954	4.2
54.17875	0.7
55.01867	0.9
55.05511	8.4
55.93517	1.2
62.73778	0.8
65.03947	2.1
67.05505	79.0
68.05048	0.9
68.05836	2.5
68.99406	1.4
69.07072	4.4
69.29341	2.7
69.29761	6.3
71.94100	1.1
72.93787	6.5
74.99825	1.0
75.49693	1.3
77.99937	3.1
79.05486	6.7
80.06238	1.0
81.03429	7.7
81.07059	28.6
82.06586	1.1
86.00700	9.3
86.50605	3.6
87.00467	100.0
89.50726	3.3
90.94836	3.2
91.05491	2.0
94.04204	1.0
94.07849	1.4
94.62206	0.7
94.98991	0.8
95.01228	1.9
95.51108	0.8
96.00986	21.5
97.51494	4.6
98.01398	2.2
98.20690	1.5
98.51253	44.2
107.08603	2.6
107.51717	1.6
108.95895	1.9
109.02904	2.9
109.06529	7.1
109.07687	1.2
109.10158	53.1
110.02041	11.5
110.06052	7.0
110.06729	0.8
110.07161	1.4
110.10510	2.2
111.96878	4.8
112.96726	1.8
113.96407	45.6
129.97928	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	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03948	7.4
55.01880	4.0
55.05512	4.9
58.44447	0.6
65.03946	4.2
66.32401	0.6
67.03004	0.8
67.05506	51.3
68.05042	3.2
68.05833	1.0
69.04565	1.1
69.07076	3.1
69.83212	2.0
69.83645	2.5
72.93799	1.1
75.07330	0.7
76.89938	0.6
79.05495	34.3
80.05022	0.7
80.05784	0.7
81.03424	8.3
81.07059	43.2
82.06578	2.4
82.07401	0.9
86.00698	1.3
86.50618	4.2
86.99920	0.9
87.00468	16.3
91.05489	8.8
92.04989	0.8
94.04180	2.7
95.01185	0.7
95.51128	1.2
96.00989	5.0
98.20839	1.4
98.51253	2.2
107.08601	2.2
108.04451	0.7
109.02887	1.8
109.06521	100.0
109.07591	7.2
109.10155	35.9
109.10902	1.1
110.06033	4.2
110.07188	3.7
110.10510	0.8
112.96721	1.8
113.96391	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03945	3.3
54.04289	0.4
54.96136	0.5
55.05509	9.1
65.03932	2.8
67.05504	100.0
68.05030	0.6
68.05827	2.7
69.07064	6.6
71.04367	1.5
72.93789	0.7
79.05493	5.6
79.11765	0.5
80.06287	0.7
81.03413	4.4
81.07059	30.0
82.06592	1.0
82.07397	0.6
86.50615	1.4
87.00468	6.0
91.05456	0.8
93.87671	0.5
94.04189	0.8
94.07819	1.3
96.00994	0.9
107.08581	3.7
109.02844	1.3
109.06528	1.7
109.10156	91.7
110.06013	1.6
110.07194	1.0
110.10498	3.1
113.96419	2.2
129.49635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03938	3.6
55.01871	1.1
55.05517	8.9
60.75814	0.9
65.03935	3.7
67.05507	100.0
68.05032	1.7
68.05838	2.7
69.04527	0.8
69.07084	5.7
70.89842	2.1
79.05495	6.0
81.03410	4.0
81.07060	33.6
82.07387	1.0
86.50616	1.1
87.00475	6.6
94.07817	2.8
96.00985	1.6
99.44693	0.8
102.77753	0.9
107.08583	5.0
107.10149	0.8
107.34236	0.8
109.02901	1.6
109.06554	1.7
109.07633	2.7
109.10159	93.8
110.06020	2.4
110.07184	4.9
110.10494	3.7
113.96407	3.8
122.22910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.05510	10.2
55.98255	0.6
64.11581	0.6
65.03947	3.5
67.05505	100.0
68.05014	1.2
68.05841	3.0
69.04572	0.7
69.07069	4.6
69.77900	4.1
72.93816	1.1
77.99960	0.7
79.05494	7.6
80.06269	1.0
81.03422	5.9
81.07059	34.0
82.07364	1.5
86.00706	1.2
86.50634	2.4
87.00467	20.0
88.74861	0.6
91.05493	1.1
94.07812	1.0
96.00995	4.1
98.51250	3.7
103.82178	0.6
107.08582	3.9
109.02883	2.4
109.06522	5.1
109.07659	1.1
109.10158	61.8
110.06052	5.1
110.07164	5.5
110.10491	2.9
111.05357	0.6
111.96793	0.9
113.96400	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	109.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73104	0.9
53.03952	8.5
55.01858	3.7
55.05513	3.8
63.32386	0.8
65.03942	3.9
67.05507	44.9
68.05017	5.1
69.07066	3.6
71.12325	0.9
71.12659	1.6
79.05495	30.4
81.03421	10.7
81.07060	40.7
82.06581	2.4
86.00708	1.1
86.50627	2.6
87.00464	15.7
90.34009	0.9
91.05490	7.2
94.04200	2.4
96.00983	3.6
98.51244	1.9
104.70004	0.7
107.08616	1.8
108.13740	0.8
109.02892	3.0
109.06523	100.0
109.07597	6.9
109.10160	32.5
110.06133	4.6
110.07222	4.9
111.96881	1.1
113.96432	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	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03946	7.7
55.01863	1.6
55.05512	2.5
58.63658	0.4
65.03943	6.1
66.04690	0.7
67.05503	29.9
68.05019	0.8
69.04549	0.6
69.07058	1.5
71.59784	0.8
72.93771	0.7
79.05055	0.8
79.05492	10.7
81.03415	13.7
81.07053	32.0
82.03748	0.6
82.07381	0.8
86.00704	0.9
86.50610	1.6
86.99992	0.9
87.00468	12.1
91.05476	21.4
92.05804	0.8
94.04183	28.6
95.51170	0.4
96.00977	2.6
98.51290	2.3
105.46961	0.5
107.04957	15.0
107.08608	1.3
109.02876	5.0
109.06514	100.0
109.10154	21.9
109.10928	0.8
110.06158	4.2
110.07195	4.6
111.04425	3.3
111.96856	1.0
112.96710	0.7
113.96387	5.0
119.06083	2.0
121.03995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03948	8.6
55.01880	4.5
55.05509	3.6
65.03941	3.0
66.04710	1.0
66.43787	0.5
67.05507	37.1
68.05019	1.4
69.04549	2.0
69.07074	2.5
69.52669	0.9
69.53073	3.1
72.93787	1.6
74.99825	0.8
77.99963	1.0
79.05495	29.7
80.05811	0.8
80.06258	0.5
81.03419	14.6
81.07059	37.3
82.06588	1.7
82.07359	0.8
86.00258	0.5
86.00688	2.9
86.50617	2.2
87.00468	26.4
90.94834	0.9
91.05487	9.2
93.24441	0.4
94.04184	2.3
94.07816	0.5
95.01218	0.6
95.04985	0.9
96.00990	6.7
98.01406	0.6
98.51266	4.4
101.54469	0.5
107.04955	0.9
107.08622	1.2
109.02884	4.3
109.06522	100.0
109.07719	2.6
109.10155	24.2
109.10920	0.7
110.06129	4.4
110.07215	7.5
110.10479	0.8
111.96880	1.1
112.96698	0.9
113.96404	10.3
116.10006	0.5
129.97932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.5889
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	3.5
79.05956	0.2
81.07053	14.1
82.07410	0.1
83.04977	0.4
83.08613	4.4
85.06530	0.5
85.10181	0.2
86.09705	0.1
91.05473	2.6
93.07036	3.8
95.04967	0.5
95.08598	11.9
96.08897	0.2
97.06532	1.1
97.10166	2.5
98.06067	0.3
98.98469	0.3
99.08089	0.3
105.07018	1.8
107.08585	2.8
107.09287	0.2
109.06539	0.2
109.10149	4.5
111.08068	0.6
111.11699	0.5
113.09566	0.1
119.08566	2.0
121.10131	2.2
123.08072	0.3
123.11697	2.4
124.01605	0.3
125.09630	0.4
125.13267	0.1
131.08586	0.2
133.10130	2.0
135.11690	1.4
137.09605	0.2
137.13235	0.9
139.11162	0.1
139.96201	0.1
147.11673	1.5
149.13264	0.7
150.90260	0.1
151.11191	0.2
151.14839	0.3
153.12759	0.3
161.13268	0.9
163.03851	0.1
163.14854	0.6
165.12813	0.2
167.14322	0.1
175.14772	0.7
177.16425	0.3
179.14305	0.2
181.15839	0.1
184.07397	0.3
185.07487	0.1
189.16377	0.2
198.05278	0.4
203.17953	0.1
216.06287	0.8
245.22649	0.3
250.16599	0.1
263.23700	0.8
293.85330	0.1
306.27887	4.2
307.28287	0.2
324.29080	0.1
337.27338	100.0
338.27673	3.2
437.80667	0.1
460.28226	0.9
478.29276	6.5
479.29794	0.2
774.69708	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
52.62177	0.5
53.03943	2.3
53.39730	0.5
55.01854	0.6
56.94311	0.6
56.96559	0.6
59.42325	0.7
61.27445	0.5
65.03939	10.7
67.05502	2.8
73.55000	0.5
77.03957	0.5
79.05490	22.9
80.05015	4.2
84.01556	0.8
91.05477	100.0
92.05801	1.9
92.06266	2.4
93.05830	0.6
95.04968	5.1
101.40607	0.5
105.07030	35.7
106.06615	0.6
107.04952	28.8
107.06109	2.0
107.08589	53.4
108.04502	3.5
108.05544	1.7
108.08114	2.6
108.08829	0.9
109.06512	25.7
110.06827	0.7
119.06055	7.3
121.97590	0.6
124.05206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66555	0.4
53.03945	1.6
55.01870	0.7
56.96585	0.6
64.18143	0.4
65.03944	10.4
67.05505	2.4
71.58385	0.8
74.14368	0.4
79.05494	16.9
80.05022	2.0
89.26227	0.4
91.05482	100.0
92.05764	2.0
92.06317	2.0
95.04970	4.3
103.05452	0.7
105.07034	35.0
106.04177	0.7
106.06627	0.5
106.07360	0.9
107.04959	19.2
107.08595	52.5
108.04475	1.8
108.08110	2.3
108.08926	1.6
109.06520	23.2
110.06836	0.5
119.05317	0.7
119.06074	6.6
124.05205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
63.97243	0.7
65.03947	9.4
66.04272	0.7
67.05510	3.0
68.60742	0.6
69.51122	3.8
69.51549	1.7
71.58435	0.6
72.71283	0.6
79.05499	21.3
80.05024	2.7
91.05488	100.0
92.05813	1.8
92.06274	2.6
95.04997	3.2
98.28792	0.7
105.07035	34.3
106.04189	1.0
106.07386	1.7
107.04964	13.3
107.06101	2.0
107.08601	55.2
108.04475	1.6
108.05565	1.1
108.08172	0.8
108.08940	2.1
109.06528	23.7
119.06070	7.3
124.05204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03941	2.3
65.03940	10.1
67.05502	2.3
71.20577	1.2
79.05492	17.1
80.05006	2.5
80.45180	0.7
91.05480	100.0
92.05795	2.0
92.06269	2.0
95.04980	4.0
105.07030	34.5
106.04195	0.9
106.07391	1.3
107.04955	18.5
107.06093	1.3
107.08595	58.2
108.04515	1.6
108.05576	0.8
108.08157	1.4
108.08920	2.0
109.06513	25.0
119.06071	7.1
121.80359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03941	1.6
55.01855	0.9
65.03943	11.1
67.05495	2.2
71.19397	0.9
79.05496	17.0
79.05963	1.0
80.05030	3.6
90.96407	0.5
91.05479	100.0
92.05785	1.9
92.06283	2.6
95.04951	3.3
96.04477	0.6
105.07028	35.3
106.07369	1.4
107.04954	13.4
107.06079	1.3
107.08594	54.4
108.04483	1.2
108.05614	1.0
108.08205	0.9
108.08917	1.9
109.06518	23.4
109.07263	1.3
119.06066	8.1
124.05193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03937	2.9
55.01869	1.2
55.13312	0.8
57.02203	0.7
60.58075	0.7
62.03315	0.7
65.03940	10.6
67.05507	3.4
71.58575	1.2
79.05495	23.1
80.05016	3.0
91.05485	100.0
92.05759	1.3
92.06267	2.2
93.02106	1.0
93.05794	1.0
95.04974	6.1
105.07034	31.0
105.56979	0.8
106.07350	1.2
107.04957	27.7
107.06079	1.4
107.08598	50.5
108.04501	3.3
108.08208	1.4
108.08921	1.6
108.83667	0.8
109.06518	23.5
119.06078	7.3
124.03946	1.0
124.05250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02391	0.9
53.03939	3.8
54.61561	0.9
55.01852	1.1
65.03939	11.1
67.05508	2.4
71.01389	0.8
71.58765	1.2
71.59185	1.1
79.05492	27.0
79.05962	1.4
80.05004	4.1
80.05833	1.0
81.03433	0.8
91.05481	100.0
92.05807	2.9
92.06281	3.0
95.04963	6.2
105.04510	2.7
105.07027	33.2
106.06552	0.9
106.07391	1.0
107.04957	46.9
107.08590	57.1
108.04497	4.8
108.08125	3.5
108.08911	1.9
109.06514	23.6
119.06059	7.5
124.05241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
52.86850	0.5
53.03953	3.9
55.01859	0.8
59.06024	0.5
65.03945	11.5
65.93736	0.6
66.03456	0.8
67.04238	3.4
67.05517	3.1
69.53500	3.5
69.53915	1.3
77.03913	0.8
79.05495	28.9
80.05024	9.9
84.01592	0.8
88.25705	0.6
91.05482	100.0
92.05793	1.9
92.06278	2.7
93.05780	1.3
95.04969	7.9
96.04466	0.6
105.04530	1.5
105.07034	32.9
106.06583	1.3
106.07358	1.1
107.04214	1.1
107.04958	30.7
107.06062	5.7
107.08597	55.7
108.04507	3.5
108.05627	3.6
108.08135	3.7
108.08852	1.2
109.06518	23.3
119.06082	7.3
124.05226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
53.03949	6.7
61.49107	0.7
65.03936	5.3
77.03928	1.3
78.84829	0.7
79.05493	31.2
81.03419	0.9
95.04973	13.3
98.21493	2.5
103.05470	20.5
103.06141	1.4
105.04525	2.9
105.07032	100.0
105.11113	2.4
106.06728	0.8
106.07369	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03939	4.7
58.06587	1.4
60.08170	8.8
61.08497	8.4
62.85775	1.4
65.03934	5.4
69.91132	8.6
77.03934	2.3
79.05060	2.5
79.05495	31.3
80.27496	1.3
95.04981	14.8
103.05474	21.9
105.03422	1.8
105.04546	6.7
105.07035	100.0
105.10454	3.1
105.11076	49.3
106.06561	4.9
106.07359	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03951	8.3
71.46465	9.6
72.68348	5.1
79.05502	22.9
95.04945	9.2
103.05476	10.9
105.07050	100.0
105.11087	22.6
106.06602	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.09954	0.5
51.02382	0.7
51.43401	0.7
53.03944	4.5
54.03465	0.5
55.01865	1.3
56.05054	0.5
56.96565	1.4
65.03936	10.1
66.03445	0.8
67.04253	5.4
67.05495	3.3
70.28792	2.0
77.03897	0.6
79.05490	32.8
80.05015	12.2
80.05800	1.2
81.04561	0.8
84.01554	1.7
91.05476	100.0
92.05782	1.6
92.06292	2.9
93.02085	0.7
93.05783	0.8
94.58748	0.7
95.04953	9.1
98.21412	0.8
103.05488	0.9
105.04537	2.0
105.07026	33.4
106.06554	1.1
106.07370	0.8
107.04952	42.3
107.06058	11.7
107.08590	55.6
108.04510	3.5
108.05641	4.0
108.08107	3.0
108.08887	1.3
109.06509	21.0
119.06048	7.9
124.05209	1.2
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	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.17934	1.1
53.03943	5.6
58.66974	1.2
59.26645	1.3
60.04509	1.2
65.03932	2.5
70.87716	4.6
79.05062	2.4
79.05492	31.4
95.04963	15.7
103.05466	23.5
105.03440	2.9
105.04539	2.9
105.07034	100.0
106.07376	2.2
106.45387	1.2
122.02319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02387	1.6
53.03943	6.2
60.95854	1.4
64.95546	1.1
65.03938	4.8
69.57186	8.8
77.03922	1.3
79.05061	2.1
79.05502	32.5
82.24773	1.2
83.74981	1.3
91.53423	1.1
95.04977	15.5
103.05474	20.6
105.03404	1.5
105.04523	4.5
105.07040	100.0
105.11121	1.5
106.06541	1.1
106.07315	2.2
109.91721	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03958	6.2
56.89820	1.1
58.12785	1.2
65.03926	2.0
65.70405	1.0
77.03925	1.5
79.05058	2.0
79.05501	31.4
95.04971	12.2
97.31974	1.2
98.20776	2.2
103.05481	21.1
105.03418	2.0
105.04527	5.1
105.07038	100.0
105.11089	2.4
106.06651	1.1
106.07368	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	1.1
53.03945	7.4
55.01867	0.9
59.06941	1.0
60.04533	1.4
60.95837	1.9
61.08463	0.9
64.95556	1.3
65.03935	6.4
71.40513	2.0
77.03917	1.5
79.05497	32.0
95.04971	15.0
98.59303	0.9
103.05470	20.2
105.03436	1.3
105.04521	6.9
105.07033	100.0
105.11060	3.7
106.06558	5.9
106.07359	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03949	8.4
57.46975	1.1
60.04538	1.5
60.95841	2.5
64.95549	1.9
65.03932	6.6
71.59564	2.5
79.05492	31.6
95.04976	15.0
100.94173	1.3
103.05472	19.3
105.04512	4.8
105.07030	100.0
105.10499	1.5
105.11076	9.1
106.06571	2.1
106.07338	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
52.26786	0.6
53.03954	6.1
59.00477	0.7
64.02343	0.6
65.03940	0.9
70.63571	1.7
74.78031	0.7
77.03932	1.0
79.05499	31.3
79.47199	0.6
80.05878	0.8
83.71796	0.7
85.28204	0.6
95.04976	14.2
103.05476	20.5
104.05764	0.8
105.04510	2.7
105.07037	100.0
106.07389	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.54304	0.7
51.02367	1.5
53.03948	8.3
56.06252	0.8
65.03933	1.4
66.44659	0.7
70.96091	3.1
77.03927	1.7
79.05495	31.9
82.17535	0.8
84.11566	0.7
95.04976	13.4
103.04792	1.5
103.05473	21.7
105.04522	1.8
105.07034	100.0
105.11053	1.3
106.06621	0.8
106.07365	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03939	5.7
59.06933	2.1
60.08174	7.8
61.08504	14.6
65.03934	4.6
69.27463	13.0
69.27870	4.5
79.05495	31.4
95.04980	17.5
96.04499	1.7
103.05474	21.7
105.04526	7.3
105.07033	100.0
105.10448	4.3
105.11071	66.0
106.06563	5.9
106.07343	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02372	1.2
53.03942	6.8
57.09062	0.9
61.08474	1.0
65.03933	7.4
65.43715	0.8
67.34511	0.8
71.38725	1.0
77.03922	2.3
78.04755	1.0
79.05495	32.6
89.51358	1.0
95.04971	11.7
103.05469	21.8
105.04533	2.6
105.07030	100.0
105.11078	6.1
106.07365	2.6
110.46330	0.8
117.06188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.3
71.46465	9.6
72.68348	5.1
79.05502	22.9
95.04945	9.2
103.05476	10.9
105.07050	100.0
105.11087	22.6
106.06602	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	105.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.4
54.07428	1.1
55.01872	1.5
59.06925	1.3
62.14038	1.3
65.03940	3.5
70.96024	3.5
77.03898	1.2
79.05493	37.4
80.35276	1.2
84.31630	1.1
87.59138	1.2
95.04440	1.7
95.04974	15.5
103.05470	21.6
105.04538	7.1
105.07030	100.0
105.11084	2.0
106.06538	3.7
106.07316	2.7
117.31711	1.2
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
50.06306	0.8
53.03948	5.6
53.94850	0.8
55.63976	0.8
65.03935	3.9
71.60152	0.9
71.60572	1.5
72.46323	0.9
77.03911	1.2
79.05494	28.9
81.86884	0.9
82.13142	1.0
83.91973	0.8
95.04974	11.4
103.05471	18.2
105.04545	2.0
105.07030	100.0
106.06584	1.1
106.07361	2.9
120.83842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	2.0
51.02370	3.7
53.03949	35.9
55.01866	1.6
57.04551	2.8
57.62459	1.1
58.99581	9.4
59.03727	2.0
59.06942	1.9
59.85062	1.2
60.04515	4.3
60.95856	3.0
61.01153	69.5
61.08503	1.2
64.01891	1.2
64.95548	2.5
65.03927	6.4
71.58322	2.7
75.05592	1.9
76.04021	3.0
77.00645	1.3
77.03923	5.2
79.05495	34.0
81.03391	2.9
85.01126	4.0
87.00826	1.1
87.02692	17.2
88.04790	1.4
95.04969	74.0
103.05471	22.9
105.03425	33.9
105.04520	20.7
105.07030	100.0
105.11063	9.7
106.06557	4.0
106.07333	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.8
51.02383	6.5
53.03950	47.9
55.01876	2.9
60.04526	1.6
65.03925	1.1
71.08397	2.1
77.03927	6.6
79.05500	13.2
81.03422	4.1
82.90066	0.8
95.04974	100.0
96.05306	2.3
103.05474	8.8
105.03398	69.5
105.04482	22.3
105.07036	40.0
105.07764	1.1
106.03708	1.5
106.06613	0.9
118.06557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1042.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06570	0.4
79.05488	2.7
81.03457	0.3
81.07059	6.7
82.50675	0.3
83.04960	0.7
83.08617	0.5
85.02895	0.6
85.06543	0.6
86.23244	0.3
91.05476	4.3
93.07045	5.9
95.04976	1.0
95.08612	10.4
97.02893	5.9
97.06534	4.2
99.08102	0.6
105.07037	7.7
107.04972	0.8
107.08601	10.3
109.02914	0.4
109.06519	2.1
109.10160	59.5
110.10474	1.0
111.04448	3.3
111.08072	2.1
113.06024	1.3
115.07555	0.4
117.07016	1.1
119.08585	18.6
121.06526	1.3
121.10139	5.1
123.04420	0.4
123.08086	3.2
123.11710	2.8
125.05933	0.4
125.09677	0.4
128.06239	0.4
129.06996	0.7
131.04919	0.5
131.08569	2.0
133.06505	5.9
133.10136	13.4
135.08043	1.5
135.11688	3.1
137.05968	0.6
137.09616	3.0
137.13266	0.9
139.07574	0.6
142.07878	0.3
143.08565	2.7
145.06419	0.6
145.10123	3.2
147.08051	9.7
147.11694	1.1
148.08701	0.4
149.05939	0.5
149.09604	1.5
151.07539	0.7
151.11198	1.6
153.09073	0.4
156.09322	0.3
157.10150	2.1
159.08112	0.7
159.11678	2.6
161.09630	9.5
161.13306	0.6
163.07588	1.5
163.11209	3.3
165.09126	12.7
166.09586	0.3
167.10712	0.4
169.01831	0.3
169.10161	0.9
171.08003	0.4
171.11716	2.0
173.09625	1.1
173.13268	1.8
175.11197	0.6
175.14824	1.1
177.09061	0.5
177.12726	0.4
179.10683	8.7
181.12198	0.4
183.11678	0.4
185.09645	1.2
185.13280	0.8
187.11185	2.9
187.14819	0.6
189.09100	8.3
189.16438	0.3
190.09387	0.4
191.10739	0.6
195.11719	1.1
197.09659	0.3
197.13281	0.5
199.11218	1.2
199.14760	0.9
201.12738	1.2
203.10625	0.7
203.14188	0.4
205.12248	1.1
207.08208	0.6
207.10165	13.1
208.10545	0.3
209.11673	3.1
209.13377	0.5
213.12766	1.5
213.16360	0.6
215.10732	0.5
217.12294	0.5
217.15788	0.6
219.13800	3.4
223.16939	1.1
225.11227	41.5
226.11610	0.6
227.10809	0.4
227.12622	0.4
227.14528	0.5
227.17943	0.9
229.12407	0.4
231.10193	0.6
233.11693	0.4
237.12860	0.6
237.16373	0.7
241.12234	0.8
241.19539	0.4
243.12199	0.5
245.11627	0.5
251.17931	1.2
255.13953	0.4
255.17441	2.3
259.13351	0.7
269.19089	3.1
271.20691	0.3
273.18509	2.0
279.17517	1.3
287.16406	1.2
287.20068	2.3
287.53601	0.3
297.18488	8.0
315.19559	28.4
316.19769	0.8
333.20609	100.0
334.20901	2.7
350.23315	0.3
351.21622	1.2
374.23254	1.1
450.16782	0.3
467.16837	0.4
495.25482	0.5
523.42767	0.4
646.39642	0.3
944.80389	0.3
1015.58124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Choline
Peak:m/z	Relative Intensity
55.18747	6.8
60.08161	29.6
62.62451	6.5
66.56493	5.5
71.29816	7.4
75.84525	7.7
91.52170	7.4
98.20757	12.7
104.10757	100.0
114.95078	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81082	0.2
58.06598	6.1
59.07378	2.2
60.08162	57.8
61.08503	0.6
64.01900	0.3
64.41326	0.1
69.99201	0.8
86.09686	0.2
88.07620	0.2
104.10741	100.0
105.10416	0.1
105.11063	1.9
111.67757	0.1
123.93382	0.2
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
55.01878	0.4
58.06599	6.8
59.07362	1.1
60.08165	46.0
61.08496	0.6
64.01909	1.2
71.21613	0.5
74.06086	0.4
86.09697	0.4
87.88204	0.2
88.76628	0.3
104.10744	100.0
105.04493	0.4
105.07021	0.4
105.11053	2.0
111.25784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	26.6
59.06120	1.7
60.06467	1.7
60.07876	2.7
60.08168	29.4
64.01900	6.2
70.80027	5.0
74.06084	2.6
86.06069	5.5
86.13382	1.6
87.04472	3.4
102.17978	1.9
104.07095	3.2
104.10747	100.0
105.04527	4.5
105.07043	1.9
105.11097	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69035	0.3
58.06603	2.4
59.07375	0.5
60.08165	28.4
61.08495	0.4
70.97166	0.3
70.97504	0.6
80.67603	0.2
83.35683	0.3
85.64288	0.2
92.14445	0.3
104.10746	100.0
105.11086	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.5
58.06601	3.6
58.06871	0.3
58.95095	0.3
59.07380	0.8
60.08166	34.0
61.43658	0.2
69.03425	1.2
69.75436	0.8
69.75849	0.8
74.06084	0.5
76.57791	0.2
86.06072	1.0
87.04469	3.7
92.69368	0.2
98.20746	0.4
104.10747	100.0
105.11093	1.1
113.19580	0.2
118.51241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
58.06598	2.7
59.07389	0.9
60.08163	32.5
61.08505	0.4
69.03430	0.4
70.35297	0.2
71.09119	0.5
83.28333	0.2
86.06059	0.4
87.04463	1.3
104.10743	100.0
105.11082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	2.8
59.07397	0.8
60.08162	29.7
60.95866	0.5
62.75756	0.3
62.96318	0.3
69.03416	0.5
70.15216	1.5
70.61447	0.4
81.01498	0.4
86.06039	0.6
87.04463	0.7
98.20870	0.5
98.38541	0.3
104.10742	100.0
104.63503	0.3
105.10464	0.4
105.11072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06584	23.5
60.08158	30.9
64.53059	14.3
71.20338	26.5
91.70248	15.4
104.10740	100.0
114.29702	14.3
121.32463	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66885	0.2
55.79795	0.2
58.06602	3.8
59.06129	0.5
59.07369	1.2
60.08166	39.0
61.15632	0.2
71.09972	0.6
74.82457	0.2
76.05912	0.2
86.50001	0.2
88.84379	0.2
97.07703	0.2
104.10748	100.0
105.04463	0.2
105.11075	1.7
111.07948	0.2
122.02596	0.2
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
51.02381	1.6
53.03706	1.0
53.03946	15.4
56.05037	4.8
56.96294	0.8
56.96564	13.1
57.04554	0.9
57.05371	3.8
57.76123	0.6
58.02944	2.0
58.06600	9.1
58.96164	1.1
59.06125	19.1
60.04523	5.6
60.08161	7.0
60.95831	1.9
61.04042	1.1
62.06095	9.7
67.51053	1.1
68.05022	0.7
70.24088	3.3
71.07375	0.7
72.04529	1.3
73.07690	4.8
74.06087	1.0
75.05589	2.1
76.51594	0.9
77.03925	1.6
79.01852	2.2
79.52029	1.7
80.01644	0.8
81.01502	0.6
81.03416	1.6
82.51624	0.8
85.02924	1.6
85.04857	1.3
85.07670	2.6
86.03227	1.4
86.06065	14.2
86.09671	1.6
87.04465	2.6
88.02363	2.7
88.52553	1.7
95.04968	31.9
97.06963	0.7
98.21423	0.9
100.02472	0.9
102.04692	2.8
103.03984	2.4
103.05469	100.0
103.08701	24.9
103.09402	1.0
104.05808	3.0
104.10044	1.2
104.10744	22.1
105.04501	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27013	0.0
55.01867	0.1
55.41140	0.0
56.05036	0.1
58.06596	3.8
59.06128	0.1
59.06931	0.0
59.07376	0.9
60.08161	34.3
61.07866	0.0
61.08494	0.4
64.01898	0.4
71.60333	0.0
71.60734	0.1
74.06086	0.2
78.04720	0.1
86.06070	0.1
86.09701	0.1
86.83906	0.0
87.04459	0.1
95.04972	0.1
103.05482	0.0
104.10739	100.0
105.04503	0.2
105.07003	0.1
105.10452	0.1
105.11060	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
94.93012	1.2
97.47839	0.2
112.89652	0.7
136.94029	0.3
144.81836	0.2
148.94005	0.3
156.04213	1.6
170.99750	0.8
177.00754	0.6
185.45403	0.3
189.00774	0.9
201.00783	0.2
202.89101	3.6
202.90883	0.3
212.85178	1.3
219.01909	0.8
222.98882	0.5
226.86728	1.0
231.01936	0.3
237.02946	0.3
245.05202	0.3
248.89832	0.4
258.85776	0.3
261.02945	0.3
279.04111	0.3
284.83664	2.1
291.04089	0.9
296.97873	0.3
323.90314	0.2
344.85718	3.2
345.02985	0.4
361.82959	0.2
363.06848	1.7
381.07852	3.3
453.09805	0.4
525.12152	3.9
536.02905	0.2
543.13080	6.6
544.13531	0.3
687.17596	2.5
705.18518	4.4
706.19617	0.4
844.07495	0.2
849.22540	4.1
867.23639	4.0
868.24713	0.3
1029.29041	100.0
1030.29175	6.9
END